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 8 physical rank 1 will use CUDA device of pe 7 Pe 9 physical rank 2 will use CUDA device of pe 7 Pe 3 physical rank 3 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 1 physical rank 1 will use CUDA device of pe 4 Pe 11 physical rank 4 will use CUDA device of pe 7 Pe 12 physical rank 5 will use CUDA device of pe 7 Pe 10 physical rank 3 will use CUDA device of pe 7 Pe 13 physical rank 6 will use CUDA device of pe 7 Pe 6 physical rank 6 will use CUDA device of pe 4 Pe 5 physical rank 5 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 0.0290222 s CkLoopLib is used in SMP with a simple dynamic scheduling (converse-level notification) but not using node-level queue Info: 38.2188 MB of memory in use based on /proc/self/stat Info: Configuration file is MD.conf Info: Working in the current directory /mnt/c/scratch/sciteam/trudack/md/qwikMD/1qhj_membrane_0925/run TCL: Suspending until startup complete. Warning: The following variables were set in the Warning: configuration file but will be ignored: Warning: consexp (constraints) Warning: consref (constraints) Warning: conskfile (constraints) Warning: conskcol (constraints) Warning: constraintScaling (constraints) Warning: ionConcentration (GBIS) Warning: alphaCutoff (GBIS) Info: EXTENDED SYSTEM FILE Equilibration.restart.xsc Info: SIMULATION PARAMETERS: Info: TIMESTEP 2 Info: NUMBER OF STEPS 0 Info: STEPS PER CYCLE 20 Info: PERIODIC CELL BASIS 1 102.152 0 0 Info: PERIODIC CELL BASIS 2 0 100.344 0 Info: PERIODIC CELL BASIS 3 0 0 74.4979 Info: PERIODIC CELL CENTER -0.380358 -0.725538 1.44908 Info: WRAPPING WATERS AROUND PERIODIC BOUNDARIES ON OUTPUT. Info: WRAPPING ALL CLUSTERS AROUND PERIODIC BOUNDARIES ON OUTPUT. Info: LOAD BALANCER Centralized Info: LOAD BALANCING STRATEGY New Load Balancers -- DEFAULT Info: LDB PERIOD 4000 steps Info: FIRST LDB TIMESTEP 100 Info: LAST LDB TIMESTEP -1 Info: LDB BACKGROUND SCALING 1 Info: HOM BACKGROUND SCALING 1 Info: PME BACKGROUND SCALING 1 Info: REMOVING LOAD FROM NODE 0 Info: REMOVING PATCHES FROM PROCESSOR 0 Info: MIN ATOMS PER PATCH 40 Info: VELOCITY FILE Equilibration.restart.vel Info: CENTER OF MASS MOVING INITIALLY? NO Info: DIELECTRIC 1 Info: EXCLUDE SCALED ONE-FOUR Info: 1-4 ELECTROSTATICS SCALED BY 1 Info: MODIFIED 1-4 VDW PARAMETERS WILL BE USED Info: DCD FILENAME MD.dcd Info: DCD FREQUENCY 100000 Info: DCD FIRST STEP 100000 Info: DCD FILE WILL CONTAIN UNIT CELL DATA Info: XST FILENAME MD.xst Info: XST FREQUENCY 100000 Info: NO VELOCITY DCD OUTPUT Info: NO FORCE DCD OUTPUT Info: OUTPUT FILENAME MD Info: RESTART FILENAME MD.restart Info: RESTART FREQUENCY 100000 Info: BINARY RESTART FILES WILL BE USED Info: SWITCHING ACTIVE Info: SWITCHING ON 10 Info: SWITCHING OFF 12 Info: PAIRLIST DISTANCE 14 Info: PAIRLIST SHRINK RATE 0.01 Info: PAIRLIST GROW RATE 0.01 Info: PAIRLIST TRIGGER 0.3 Info: PAIRLISTS PER CYCLE 2 Info: PAIRLISTS ENABLED Info: MARGIN 0.99 Info: HYDROGEN GROUP CUTOFF 2.5 Info: PATCH DIMENSION 17.49 Info: ENERGY OUTPUT STEPS 200 Info: CROSSTERM ENERGY INCLUDED IN DIHEDRAL Info: TIMING OUTPUT STEPS 200 Info: PRESSURE OUTPUT STEPS 200 Info: LANGEVIN DYNAMICS ACTIVE Info: LANGEVIN TEMPERATURE 300 Info: LANGEVIN USING BBK INTEGRATOR Info: LANGEVIN DAMPING COEFFICIENT IS 1 INVERSE PS Info: LANGEVIN DYNAMICS NOT APPLIED TO HYDROGENS Info: LANGEVIN PISTON PRESSURE CONTROL ACTIVE Info: TARGET PRESSURE IS 1.01325 BAR Info: OSCILLATION PERIOD IS 200 FS Info: DECAY TIME IS 100 FS Info: PISTON TEMPERATURE IS 300 K Info: PRESSURE CONTROL IS GROUP-BASED Info: INITIAL STRAIN RATE IS 1.62241e-05 1.62241e-05 4.4167e-05 Info: CELL FLUCTUATION IS ANISOTROPIC Info: SHAPE OF CELL IS CONSTRAINED IN X-Y PLANE Info: PARTICLE MESH EWALD (PME) ACTIVE Info: PME TOLERANCE 1e-06 Info: PME EWALD COEFFICIENT 0.257952 Info: PME INTERPOLATION ORDER 4 Info: PME GRID DIMENSIONS 108 108 80 Info: PME MAXIMUM GRID SPACING 1 Info: Attempting to read FFTW data from system Info: Attempting to read FFTW data from FFTW_NAMD_2.11_CRAY-XE-ugni-smp-BlueWaters-CUDA_FFTW3.txt Info: Optimizing 6 FFT steps. 1... 2... 3... 4... 5... 6... Done. Info: Writing FFTW data to FFTW_NAMD_2.11_CRAY-XE-ugni-smp-BlueWaters-CUDA_FFTW3.txt Info: FULL ELECTROSTATIC EVALUATION FREQUENCY 2 Info: USING VERLET I (r-RESPA) MTS SCHEME. Info: C1 SPLITTING OF LONG RANGE ELECTROSTATICS Info: PLACING ATOMS IN PATCHES BY HYDROGEN GROUPS Info: RIGID BONDS TO HYDROGEN : ALL Info: ERROR TOLERANCE : 1e-08 Info: MAX ITERATIONS : 100 Info: RIGID WATER USING SETTLE ALGORITHM Info: RANDOM NUMBER SEED 1474841153 Info: USE HYDROGEN BONDS? NO Info: COORDINATE PDB 1qhj_membrane_QwikMD.pdb Info: STRUCTURE FILE 1qhj_membrane_QwikMD.psf Info: PARAMETER file: CHARMM format! Info: PARAMETERS Retinal_schiff_based_qwikmd.str Info: PARAMETERS toppar_water_ions_namd.str Info: PARAMETERS toppar_all36_carb_glycopeptide.str Info: PARAMETERS par_all36_lipid.prm Info: PARAMETERS par_all36_na.prm Info: PARAMETERS par_all36_prot.prm Info: PARAMETERS par_all36_carb.prm Info: PARAMETERS par_all36_cgenff.prm Info: USING ARITHMETIC MEAN TO COMBINE L-J SIGMA PARAMETERS Info: BINARY COORDINATES Equilibration.restart.coor Info: SKIPPING rtf SECTION IN STREAM FILE Info: SKIPPING rtf SECTION IN STREAM FILE Info: SKIPPING rtf SECTION IN STREAM FILE Info: SUMMARY OF PARAMETERS: Info: 942 BONDS Info: 2731 ANGLES Info: 6593 DIHEDRAL Info: 211 IMPROPER Info: 6 CROSSTERM Info: 357 VDW Info: 6 VDW_PAIRS Info: 0 NBTHOLE_PAIRS Warning: VDW TYPE NAME CR15 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR14 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR13 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR12 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR11 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR10 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR9 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR8 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR7 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR6 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR5 MATCHES PARAMETER TYPE NAME CR* Info: TIME FOR READING PSF FILE: 10.5033 Info: Reading pdb file 1qhj_membrane_QwikMD.pdb Info: TIME FOR READING PDB FILE: 0.263434 Info: Info: **************************** Info: STRUCTURE SUMMARY: Info: 80594 ATOMS Info: 65063 BONDS Info: 81337 ANGLES Info: 92351 DIHEDRALS Info: 987 IMPROPERS Info: 225 CROSSTERMS Info: 0 EXCLUSIONS Info: 66657 RIGID BONDS Info: 175125 DEGREES OF FREEDOM Info: 29198 HYDROGEN GROUPS Info: 4 ATOMS IN LARGEST HYDROGEN GROUP Info: 29198 MIGRATION GROUPS Info: 4 ATOMS IN LARGEST MIGRATION GROUP Info: TOTAL MASS = 479053 amu Info: TOTAL CHARGE = 1.41375e-05 e Info: MASS DENSITY = 1.04174 g/cm^3 Info: ATOM DENSITY = 0.10554 atoms/A^3 Info: ***************************** Info: Reading from binary file Equilibration.restart.coor Info: Info: Entering startup at 11.605 s, 153.027 MB of memory in use Info: Startup phase 0 took 0.000363649 s, 153.055 MB of memory in use Info: ADDED 238567 IMPLICIT EXCLUSIONS Info: Startup phase 1 took 0.192731 s, 174.941 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 0.0100902 s, 179.469 MB of memory in use Info: Startup phase 3 took 0.000210522 s, 179.566 MB of memory in use Info: Startup phase 4 took 0.00173512 s, 182.797 MB of memory in use Info: Startup phase 5 took 0.000211508 s, 182.926 MB of memory in use Info: PATCH GRID IS 11 (PERIODIC) BY 5 (PERIODIC) BY 4 (PERIODIC) Info: PATCH GRID IS 2-AWAY BY 1-AWAY BY 1-AWAY Info: Reading from binary file Equilibration.restart.vel Info: REMOVING COM VELOCITY -0.0161086 -0.0149398 0.00603364 Info: LARGEST PATCH (145) HAS 420 ATOMS Info: TORUS A SIZE 24 USING 3 Info: TORUS B SIZE 24 USING 0 1 Info: TORUS C SIZE 24 USING 18 19 20 21 22 Info: TORUS MINIMAL MESH SIZE IS 1 BY 2 BY 5 Info: Placed 100% of base nodes on same physical node as patch Info: Startup phase 6 took 0.0636017 s, 197.5 MB of memory in use Info: PME using 54 and 54 processors for FFT and reciprocal sum. Info: PME GRID LOCATIONS: 3 5 8 10 12 17 19 22 24 26 ... Info: PME TRANS LOCATIONS: 1 2 6 9 13 15 16 20 23 25 ... Info: PME USING 20 GRID NODES AND 20 TRANS NODES Info: Startup phase 7 took 0.272022 s, 198.723 MB of memory in use Info: Startup phase 8 took 0.00377729 s, 198.723 MB of memory in use LDB: Central LB being created... Info: Startup phase 9 took 0.0230055 s, 198.734 MB of memory in use Info: CREATING 7574 COMPUTE OBJECTS CUDA device 0 stream priority range 0 -1 Info: Found 347 unique exclusion lists needing 1248 bytes Pe 2 hosts 0 local and 9 remote patches for pe 4 Pe 6 hosts 0 local and 10 remote patches for pe 4 Pe 5 hosts 0 local and 7 remote patches for pe 4 Pe 0 hosts 0 local and 5 remote patches for pe 4 Pe 4 hosts 0 local and 5 remote patches for pe 4 Pe 1 hosts 0 local and 6 remote patches for pe 4 Pe 3 hosts 0 local and 6 remote patches for pe 4 Pe 12 hosts 0 local and 5 remote patches for pe 7 Pe 10 hosts 0 local and 6 remote patches for pe 7 Pe 11 hosts 0 local and 6 remote patches for pe 7 Pe 13 hosts 0 local and 8 remote patches for pe 7 Pe 8 hosts 0 local and 6 remote patches for pe 7 Pe 9 hosts 0 local and 8 remote patches for pe 7 Pe 7 hosts 0 local and 12 remote patches for pe 7 Info: Startup phase 10 took 0.0527769 s, 202.301 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 0.000468402 s, 202.453 MB of memory in use Info: Startup phase 12 took 0.000102875 s, 202.453 MB of memory in use Info: Finished startup at 12.2261 s, 202.457 MB of memory in use TCL: Running for 5000000 steps Pe 4 has 0 local and 48 remote patches and 0 local and 207 remote computes. Pe 7 has 0 local and 51 remote patches and 0 local and 253 remote computes. PRESSURE: 0 299.631 -96.0572 266.973 -96.0568 189.69 131.634 266.972 131.633 347.63 GPRESSURE: 0 297.1 8.48649 150.416 27.9059 218.666 155.659 353.195 153.946 382.116 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 0 4020.7966 20581.2979 14582.2521 230.5331 -203208.9717 3231.9085 0.0000 0.0000 51940.7990 -108621.3846 298.5045 -160562.1835 -108258.7596 298.5045 278.9838 299.2943 763631.3185 278.9838 299.2943 OPENING EXTENDED SYSTEM TRAJECTORY FILE LDB: ============= START OF LOAD BALANCING ============== 12.3192 LDB: ============== END OF LOAD BALANCING =============== 12.3194 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12.3212 LDB: ============= START OF LOAD BALANCING ============== 12.5952 LDB: Largest compute 6987 load 0.023578 is 15.5% of average load 0.152253 LDB: Average compute 0.003447 is 2.3% of average load 0.152253 LDB: Partitioning computes with target load 0.015225 LDB: Increased migratable compute count from 1320 to 1320 LDB: Largest unpartitionable compute is 0.023578 LDB: ============== END OF LOAD BALANCING =============== 12.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12.6052 Info: Initial time: 140 CPUs 0.00353044 s/step 0.0204308 days/ns 218.039 MB memory LDB: ============= START OF LOAD BALANCING ============== 12.6677 LDB: ============== END OF LOAD BALANCING =============== 12.6679 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12.6696 LDB: ============= START OF LOAD BALANCING ============== 12.919 LDB: Largest compute 6987 load 0.023663 is 15.6% of average load 0.151974 LDB: Average compute 0.003442 is 2.3% of average load 0.151974 LDB: TIME 12.9222 LOAD: AVG 0.151974 MAX 0.233139 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 218.199 MB LDB: TIME 12.9238 LOAD: AVG 0.151974 MAX 0.164936 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 TorusLB MEM: 218.414 MB LDB: ============== END OF LOAD BALANCING =============== 12.927 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12.9318 PRESSURE: 200 81.7094 -19.1937 -80.5281 -19.1943 -76.2886 -201.74 -80.5283 -201.74 -193.77 GPRESSURE: 200 93.6759 58.3198 -125.322 -112.881 -24.5917 -166.424 -63.1061 -141.52 -171.851 PRESSAVG: 200 -15.2439 -5.12926 -17.8716 -5.12926 52.5717 -37.6028 -17.8716 -37.6028 -10.8706 GPRESSAVG: 200 -15.6727 -5.52192 -18.6686 -5.19679 52.2889 -39.0074 -18.9553 -35.838 -10.3475 Info: Initial time: 140 CPUs 0.00311339 s/step 0.0180173 days/ns 219.598 MB memory TIMING: 200 CPU: 0.766176, 0.00345742/step Wall: 0.766175, 0.00345742/step, 4.80178 hours remaining, 219.601562 MB of memory in use. ENERGY: 200 4081.6862 20361.5801 14678.4625 251.2427 -203101.1612 3110.3849 0.0000 0.0000 51973.0701 -108644.7348 298.6899 -160617.8049 -108280.1477 299.2874 -62.7830 -34.2554 764586.7377 8.8190 8.7562 LDB: ============= START OF LOAD BALANCING ============== 13.2432 LDB: Largest compute 6997 load 0.028983 is 15.0% of average load 0.192734 LDB: Average compute 0.004354 is 2.3% of average load 0.192734 LDB: TIME 13.2467 LOAD: AVG 0.192734 MAX 0.212014 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 219.707 MB LDB: TIME 13.2472 LOAD: AVG 0.192734 MAX 0.212014 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 219.855 MB LDB: TIME 13.2473 LOAD: AVG 0.192734 MAX 0.212014 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 219.855 MB LDB: ============== END OF LOAD BALANCING =============== 13.2493 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13.254 Info: Initial time: 140 CPUs 0.00310842 s/step 0.0179886 days/ns 219.559 MB memory LDB: ============= START OF LOAD BALANCING ============== 13.5651 LDB: Largest compute 6976 load 0.029631 is 15.4% of average load 0.192505 LDB: Average compute 0.004335 is 2.3% of average load 0.192505 LDB: TIME 13.5686 LOAD: AVG 0.192505 MAX 0.212088 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 219.984 MB LDB: TIME 13.5691 LOAD: AVG 0.192505 MAX 0.212088 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 220.129 MB LDB: TIME 13.5692 LOAD: AVG 0.192505 MAX 0.212088 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 220.129 MB LDB: ============== END OF LOAD BALANCING =============== 13.5714 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13.5761 PRESSURE: 400 233.984 7.64361 11.9528 7.64329 192.324 -32.6671 11.9527 -32.6671 341.502 GPRESSURE: 400 207.258 136.791 72.2044 52.572 335.758 -36.3389 -21.2117 -166.324 312.224 PRESSAVG: 400 -41.5906 -4.59999 -17.5358 -4.60001 41.7953 -22.3247 -17.5357 -22.3248 0.795173 GPRESSAVG: 400 -41.7583 -5.07343 -17.4147 -4.58209 42.0555 -23.0144 -18.1307 -24.5999 1.02678 Info: Benchmark time: 140 CPUs 0.003111 s/step 0.0180035 days/ns 219.094 MB memory TIMING: 400 CPU: 1.41021, 0.00322015/step Wall: 1.41021, 0.00322015/step, 4.47208 hours remaining, 219.093750 MB of memory in use. ENERGY: 400 3916.3937 20453.7141 14557.0931 227.2732 -203073.0955 3010.7604 0.0000 0.0000 52188.3833 -108719.4778 299.9274 -160907.8611 -108349.1998 299.1778 255.9363 285.0801 766004.4217 0.3333 0.4413 Info: Benchmark time: 140 CPUs 0.00310195 s/step 0.0179511 days/ns 219.094 MB memory PRESSURE: 600 -250.764 169.773 -103.767 169.773 148.137 -125.081 -103.766 -125.081 -102.719 GPRESSURE: 600 -164.484 183.186 -38.5866 125.491 103.458 -77.0102 -82.9567 -176.152 -74.0165 PRESSAVG: 600 -40.6552 9.96909 40.6975 9.96908 45.1114 -31.9006 40.6974 -31.9007 -5.93358 GPRESSAVG: 600 -39.6549 10.6524 42.7053 9.15542 45.1107 -30.0874 41.5402 -31.1265 -6.51614 Info: Benchmark time: 140 CPUs 0.00309624 s/step 0.0179181 days/ns 219.188 MB memory TIMING: 600 CPU: 2.03024, 0.00310015/step Wall: 2.03024, 0.00310015/step, 4.30525 hours remaining, 219.187500 MB of memory in use. ENERGY: 600 3963.2931 20544.0736 14633.3211 242.3220 -202756.7835 2771.3107 0.0000 0.0000 52026.3006 -108576.1624 298.9959 -160602.4630 -108219.1295 298.9412 -68.4485 -45.0142 764626.1487 -0.4925 -0.3534 Info: Benchmark time: 140 CPUs 0.00309667 s/step 0.0179205 days/ns 219.195 MB memory PRESSURE: 800 -194.527 -50.4546 -63.6753 -50.4543 -140.14 -112.953 -63.6746 -112.953 -257.427 GPRESSURE: 800 -158.907 -19.9217 21.2721 -109.999 -92.7964 -37.0786 -140.187 -53.1294 -257.828 PRESSAVG: 800 -18.6633 5.05967 1.14367 5.05961 26.5973 -34.702 1.14365 -34.702 1.09802 GPRESSAVG: 800 -17.6271 4.05364 -1.72835 5.67315 25.4748 -34.6261 -0.981953 -34.924 1.23903 Info: Benchmark time: 140 CPUs 0.00311526 s/step 0.0180281 days/ns 219.195 MB memory TIMING: 800 CPU: 2.65165, 0.00310706/step Wall: 2.65165, 0.00310706/step, 4.31467 hours remaining, 219.195312 MB of memory in use. ENERGY: 800 3924.4251 20406.4163 14661.2345 272.6784 -202427.3862 2650.4621 0.0000 0.0000 52209.0631 -108303.1067 300.0462 -160512.1698 -107948.6245 299.5106 -197.3646 -169.8438 767191.0495 3.0107 3.0289 Info: Benchmark time: 140 CPUs 0.00310503 s/step 0.0179689 days/ns 219.254 MB memory PRESSURE: 1000 53.9875 -192.216 -79.2965 -192.217 -317.575 -149.269 -79.2964 -149.271 -0.35136 GPRESSURE: 1000 33.5609 -239.93 -86.8057 -159.773 -261.343 -119.267 -187.577 -244.098 34.9823 PRESSAVG: 1000 -0.490161 -18.3169 0.0539084 -18.3169 6.60312 14.8329 0.0539311 14.8329 8.38366 GPRESSAVG: 1000 -2.76728 -17.2124 0.443755 -20.3675 8.12588 16.1047 1.52968 13.6455 8.72574 TIMING: 1000 CPU: 3.2727, 0.00310528/step Wall: 3.2727, 0.00310528/step, 4.31202 hours remaining, 219.527344 MB of memory in use. ENERGY: 1000 3966.6286 20575.0749 14565.7583 248.6130 -202690.9547 2980.2750 0.0000 0.0000 52062.7182 -108291.8868 299.2052 -160354.6049 -107934.3967 300.0198 -87.9795 -64.2665 765924.8565 4.8322 4.6948 PRESSURE: 1200 -184.82 -251.542 -153.048 -251.541 225.435 -18.3568 -153.048 -18.3572 233.366 GPRESSURE: 1200 -88.1063 -85.8521 -257.466 -199.365 184.845 -80.3267 -96.4614 257.345 244.934 PRESSAVG: 1200 19.8883 -19.2201 -13.685 -19.2202 -7.21817 -26.7368 -13.685 -26.7368 2.89816 GPRESSAVG: 1200 20.0502 -20.3753 -12.559 -16.8152 -9.11788 -28.3058 -14.9266 -26.1127 4.08053 TIMING: 1200 CPU: 3.8971, 0.00312199/step Wall: 3.8971, 0.00312199/step, 4.33505 hours remaining, 219.550781 MB of memory in use. ENERGY: 1200 3974.3568 20494.3406 14568.6594 249.5428 -202924.4963 2964.6556 0.0000 0.0000 52335.5615 -108337.3797 300.7732 -160672.9412 -107978.4318 299.5076 91.3269 113.8909 767958.6910 5.1894 5.0043 PRESSURE: 1400 179.134 96.7862 40.113 96.7862 211.594 -148.534 40.1134 -148.534 312.252 GPRESSURE: 1400 239.264 18.201 87.8429 118.629 295.397 -97.1274 70.5259 -186.389 273.089 PRESSAVG: 1400 -30.4455 -14.9357 -5.60591 -14.9357 -26.3476 14.3014 -5.60596 14.3014 -6.72573 GPRESSAVG: 1400 -29.7921 -14.5805 -5.17934 -16.1565 -25.6916 13.6136 -3.69174 14.9095 -7.45805 TIMING: 1400 CPU: 4.51911, 0.00311006/step Wall: 4.51911, 0.00311006/step, 4.31832 hours remaining, 219.550781 MB of memory in use. ENERGY: 1400 3996.1533 20526.9226 14538.5592 252.9403 -203018.3287 3354.9753 0.0000 0.0000 51781.5603 -108567.2178 297.5893 -160348.7781 -108215.8275 299.0547 234.3268 269.2499 766651.4819 -21.1729 -20.9806 PRESSURE: 1600 -205.49 -50.3955 -59.0384 -50.3965 -415.785 59.3536 -59.0386 59.3528 -320.461 GPRESSURE: 1600 -201.159 -135.646 -73.8893 0.113584 -407.701 16.2721 -136.504 184.763 -251.453 PRESSAVG: 1600 6.2618 18.039 3.45952 18.039 -12.1097 -5.60889 3.45961 -5.60885 2.23793 GPRESSAVG: 1600 5.65271 20.0514 2.4542 15.8804 -11.5665 -5.58837 3.98284 -5.1738 2.69582 TIMING: 1600 CPU: 5.14058, 0.00310732/step Wall: 5.14058, 0.00310732/step, 4.31434 hours remaining, 219.554688 MB of memory in use. ENERGY: 1600 4009.5928 20644.2003 14635.7585 243.4145 -202868.3029 2798.8515 0.0000 0.0000 51944.2565 -108592.2288 298.5244 -160536.4853 -108245.8614 299.0911 -313.9117 -286.7712 766263.7131 -1.2033 -1.0727 PRESSURE: 1800 179.665 184.377 -28.3668 184.377 131.006 -120.072 -28.3674 -120.073 119.705 GPRESSURE: 1800 245.38 169.5 -79.199 180.782 160.112 -55.2546 144.961 -82.177 127.565 PRESSAVG: 1800 -39.0381 -3.77353 -38.4494 -3.77349 22.3632 -7.9943 -38.4493 -7.99436 14.1797 GPRESSAVG: 1800 -38.5742 -6.57897 -38.7989 -2.16575 22.1222 -5.6884 -39.8075 -8.16222 13.8535 TIMING: 1800 CPU: 5.76109, 0.00310256/step Wall: 5.76109, 0.00310256/step, 4.30756 hours remaining, 219.554688 MB of memory in use. ENERGY: 1800 4011.7064 20386.1621 14653.9120 241.2905 -202989.8178 2956.4205 0.0000 0.0000 52143.4896 -108596.8367 299.6694 -160740.3264 -108236.8405 299.4171 143.4588 177.6859 765633.2872 -0.8317 -0.8662 PRESSURE: 2000 -127.927 -61.0989 -140.907 -61.0989 182.23 -288.713 -140.906 -288.714 -193.126 GPRESSURE: 2000 -20.8438 -110.638 -203.791 -22.2105 144.07 -289.746 -166.063 -221.984 -184.448 PRESSAVG: 2000 -15.8255 -24.1335 -25.0688 -24.1335 11.4767 -18.8344 -25.0689 -18.8343 1.09106 GPRESSAVG: 2000 -16.3455 -23.9133 -24.9043 -24.1448 11.5175 -20.4401 -25.3286 -18.7131 1.91613 TIMING: 2000 CPU: 6.38108, 0.00309993/step Wall: 6.38108, 0.00309993/step, 4.30374 hours remaining, 219.554688 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: 2000 3969.2304 20415.9695 14549.6015 253.0256 -202922.2602 2706.8969 0.0000 0.0000 52301.2429 -108726.2934 300.5760 -161027.5363 -108354.6675 299.1375 -46.2744 -20.4075 766463.5122 -1.0859 -0.9706 PRESSURE: 2200 -177.783 -41.4746 6.31018 -41.4756 -118.819 -151.816 6.31111 -151.815 -14.7753 GPRESSURE: 2200 -188.635 -67.9516 38.0655 -10.5491 -86.9483 -248.182 -8.82175 -130.683 22.271 PRESSAVG: 2200 38.5958 -24.6558 -58.6311 -24.6558 16.2485 14.0465 -58.631 14.0464 0.265968 GPRESSAVG: 2200 38.7271 -24.3191 -56.9159 -24.1529 16.6931 14.8421 -56.6551 14.3348 -0.497555 TIMING: 2200 CPU: 6.99805, 0.00308484/step Wall: 6.99804, 0.00308484/step, 4.28262 hours remaining, 219.558594 MB of memory in use. ENERGY: 2200 4030.3576 20645.3832 14603.4504 263.1849 -203105.9379 2799.8578 0.0000 0.0000 51987.5566 -108776.1474 298.7732 -160763.7040 -108414.9294 298.7155 -103.7922 -84.4373 765114.4079 18.3701 18.3075 PRESSURE: 2400 -40.1891 170.164 -66.751 170.163 -270.313 -264.1 -66.7514 -264.1 -66.9016 GPRESSURE: 2400 -69.5328 90.2153 -94.0089 68.3312 -128.637 -227.484 -77.5395 -231.893 -78.5613 PRESSAVG: 2400 40.2774 -75.978 -72.4944 -75.978 -9.65429 -7.39777 -72.4944 -7.39781 21.2696 GPRESSAVG: 2400 40.3524 -75.3545 -74.6367 -77.451 -8.87559 -7.11843 -73.1925 -6.83829 20.2779 TIMING: 2400 CPU: 7.615, 0.00308477/step Wall: 7.615, 0.00308477/step, 4.28235 hours remaining, 219.558594 MB of memory in use. ENERGY: 2400 4079.2992 20569.8887 14574.8749 264.9036 -202909.7411 2865.3218 0.0000 0.0000 51905.1920 -108650.2609 298.2999 -160555.4529 -108289.1491 299.2276 -125.8013 -92.2436 766594.3559 17.2976 17.2516 PRESSURE: 2600 -78.6038 54.0441 88.58 54.0442 -11.1365 -100.496 88.5796 -100.496 -309.106 GPRESSURE: 2600 59.3883 124.632 115.658 105.829 31.5769 -141.057 169.2 -88.7668 -393.994 PRESSAVG: 2600 -28.2002 -20.9986 -20.4602 -20.9987 6.88506 -22.6598 -20.4602 -22.6598 10.2441 GPRESSAVG: 2600 -27.2158 -20.9388 -20.9935 -19.9703 6.05638 -21.9812 -23.6613 -25.0828 10.7912 TIMING: 2600 CPU: 8.23199, 0.00308495/step Wall: 8.23199, 0.00308495/step, 4.28243 hours remaining, 219.558594 MB of memory in use. ENERGY: 2600 4068.2489 20483.0450 14546.5598 247.9397 -202511.7395 2788.8995 0.0000 0.0000 51828.9905 -108548.0562 297.8619 -160377.0466 -108190.7004 298.7302 -132.9488 -101.0095 766617.0599 -3.6903 -3.4561 PRESSURE: 2800 266.117 115.518 -55.0657 115.518 -18.7581 -51.1312 -55.0659 -51.1312 -10.3315 GPRESSURE: 2800 319.164 148.766 -182.687 81.3124 36.4292 -40.7266 -75.1153 -147.859 -27.5152 PRESSAVG: 2800 40.3067 8.37751 -22.3921 8.37754 -31.7977 -28.0817 -22.3922 -28.0817 0.250566 GPRESSAVG: 2800 38.4171 8.57361 -21.0227 10.5712 -31.5062 -28.3745 -20.4435 -27.525 1.50472 TIMING: 2800 CPU: 8.84868, 0.00308347/step Wall: 8.84868, 0.00308347/step, 4.2802 hours remaining, 219.558594 MB of memory in use. ENERGY: 2800 4000.5915 20424.0992 14621.6147 239.7279 -203165.6555 3286.9967 0.0000 0.0000 52276.4320 -108316.1936 300.4334 -160592.6255 -107956.7296 299.0863 79.0090 109.3592 768174.3734 2.9199 2.8052 PRESSURE: 3000 173.597 -162.992 228.51 -162.991 120.47 -134.355 228.51 -134.355 71.1845 GPRESSURE: 3000 186.367 -175.472 335.374 -69.1446 95.4191 -218.822 23.5653 -160.025 164.432 PRESSAVG: 3000 50.8909 15.7041 -16.8521 15.7041 -11.9622 -70.1434 -16.852 -70.1434 8.99366 GPRESSAVG: 3000 51.757 13.3905 -16.4163 14.0705 -12.6751 -70.1871 -17.4669 -72.477 8.56368 TIMING: 3000 CPU: 9.46883, 0.00310072/step Wall: 9.46883, 0.00310072/step, 4.30397 hours remaining, 219.558594 MB of memory in use. ENERGY: 3000 3969.4774 20573.7215 14610.8741 246.6646 -203156.3876 3183.6852 0.0000 0.0000 52106.6575 -108465.3073 299.4577 -160571.9648 -108101.5510 299.8660 121.7504 148.7392 765523.3824 15.9741 15.8819 PRESSURE: 3200 -170.937 -176.926 33.5175 -176.926 126.086 152.027 33.5191 152.028 -51.6349 GPRESSURE: 3200 4.02432 -181.225 -9.35055 -45.8754 -6.44356 127.244 34.0051 166.062 -11.1163 PRESSAVG: 3200 19.2497 -29.38 -10.5984 -29.38 -26.6974 -15.4261 -10.5984 -15.4261 -5.05143 GPRESSAVG: 3200 17.1923 -26.4009 -10.1967 -30.656 -25.6385 -17.4113 -11.8092 -13.4783 -4.77838 TIMING: 3200 CPU: 10.0869, 0.00309038/step Wall: 10.0869, 0.00309038/step, 4.28944 hours remaining, 219.605469 MB of memory in use. ENERGY: 3200 3907.1197 20376.1966 14581.9140 237.4561 -202799.1538 3145.0427 0.0000 0.0000 51918.1343 -108633.2904 298.3742 -160551.4247 -108259.9319 299.0253 -32.1619 -4.5118 768163.7087 -4.1664 -4.4082 PRESSURE: 3400 -226.746 -16.1359 -310.454 -16.1354 -338.851 30.3124 -310.454 30.3127 -308.225 GPRESSURE: 3400 -135.128 -53.3136 -294.805 81.5526 -304.285 -47.3831 -189.195 74.5721 -365.635 PRESSAVG: 3400 -21.6597 -60.4438 -19.7231 -60.4438 -26.9672 21.3834 -19.7232 21.3835 -4.86589 GPRESSAVG: 3400 -20.3683 -60.2968 -20.7453 -58.8902 -27.7842 23.6129 -18.1489 20.1024 -5.47474 TIMING: 3400 CPU: 10.7064, 0.00309764/step Wall: 10.7064, 0.00309764/step, 4.29935 hours remaining, 219.605469 MB of memory in use. ENERGY: 3400 4066.6549 20465.5644 14529.7823 245.6888 -202578.3889 2823.1295 0.0000 0.0000 52043.4833 -108404.0857 299.0946 -160447.5689 -108042.2374 298.7839 -291.2743 -268.3490 769539.6694 -17.8309 -17.8757 PRESSURE: 3600 -457.759 -144.137 160.222 -144.137 -84.9031 -8.12387 160.221 -8.12425 -311.196 GPRESSURE: 3600 -445.995 -123.638 179.999 -169.076 -78.9642 13.485 46.9377 -177.823 -267.921 PRESSAVG: 3600 3.48355 -26.6774 4.41081 -26.6774 -13.3457 -56.1843 4.41074 -56.1844 -4.90175 GPRESSAVG: 3600 3.00279 -27.3872 3.61389 -27.244 -13.6313 -56.7418 5.63228 -54.9654 -3.94593 TIMING: 3600 CPU: 11.3258, 0.00309675/step Wall: 11.3258, 0.00309675/step, 4.29794 hours remaining, 219.609375 MB of memory in use. ENERGY: 3600 4002.8638 20472.1216 14639.4798 250.6637 -202528.6405 2859.8740 0.0000 0.0000 51777.8687 -108525.7688 297.5681 -160303.6375 -108172.5523 298.9848 -284.6193 -264.2934 766593.6685 -4.9213 -4.8581 PRESSURE: 3800 -264.324 91.884 -5.76817 91.8834 -93.5195 -26.5935 -5.76842 -26.5937 371.791 GPRESSURE: 3800 -171.765 35.0852 6.64545 -56.4974 -133.016 -39.6231 -148.742 -29.8423 383.269 PRESSAVG: 3800 29.3815 -12.7307 -38.0474 -12.7307 -10.3961 -5.96714 -38.0474 -5.96706 13.0146 GPRESSAVG: 3800 29.0708 -11.759 -35.4801 -12.4964 -9.58992 -7.2342 -40.1354 -6.67546 12.4858 TIMING: 3800 CPU: 11.9443, 0.00309267/step Wall: 11.9443, 0.00309267/step, 4.29211 hours remaining, 219.617188 MB of memory in use. ENERGY: 3800 4003.3124 20521.1977 14527.1876 243.1332 -202851.1325 2909.7298 0.0000 0.0000 52088.1170 -108558.4548 299.3511 -160646.5718 -108198.5724 299.2958 4.6493 26.1625 766735.5363 10.6667 10.6556 PRESSURE: 4000 -183.045 11.0863 184.567 11.086 46.445 -22.0054 184.568 -22.0052 139.575 GPRESSURE: 4000 -97.7778 35.0066 226.654 -39.6425 50.7426 71.1799 146.407 -87.2524 128.521 PRESSAVG: 4000 12.4989 -12.7113 -9.26424 -12.7113 -46.2987 -23.2348 -9.26421 -23.2348 5.29021 GPRESSAVG: 4000 14.4341 -17.1714 -10.1073 -13.1641 -47.1539 -21.8096 -9.09505 -24.4366 4.38619 TIMING: 4000 CPU: 12.5646, 0.00310152/step Wall: 12.5646, 0.00310153/step, 4.30423 hours remaining, 219.617188 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: 4000 4025.4635 20503.7787 14540.6995 248.7723 -202773.5389 2956.4459 0.0000 0.0000 51971.8501 -108526.5287 298.6829 -160498.3788 -108173.1767 299.3171 0.9915 27.1619 765630.4069 -9.5032 -9.4446 PRESSURE: 4200 160.424 80.5533 -88.564 80.5534 -65.0654 23.5002 -88.563 23.4996 -44.3001 GPRESSURE: 4200 169.106 126.296 -131.546 -3.87488 51.3695 -55.7332 -137.436 42.144 -81.232 PRESSAVG: 4200 51.9162 30.4835 39.4976 30.4835 -54.0418 0.982202 39.4976 0.982199 8.55526 GPRESSAVG: 4200 49.7758 32.8316 40.0832 30.0347 -51.7469 2.32883 39.8799 2.00723 8.62673 TIMING: 4200 CPU: 13.1851, 0.00310229/step Wall: 13.1851, 0.00310229/step, 4.30512 hours remaining, 219.628906 MB of memory in use. ENERGY: 4200 3989.1198 20507.1016 14543.9684 254.2423 -202823.4561 2980.9772 0.0000 0.0000 52072.6013 -108475.4454 299.2620 -160548.0468 -108110.6016 299.0752 17.0194 46.4147 766946.5361 2.1432 2.2185 LDB: ============= START OF LOAD BALANCING ============== 25.6618 LDB: ============== END OF LOAD BALANCING =============== 25.662 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 25.6639 LDB: ============= START OF LOAD BALANCING ============== 25.9751 LDB: Largest compute 6987 load 0.029664 is 15.3% of average load 0.193524 LDB: Average compute 0.004342 is 2.2% of average load 0.193524 LDB: TIME 25.9785 LOAD: AVG 0.193524 MAX 0.216016 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 222.957 MB LDB: TIME 25.979 LOAD: AVG 0.193524 MAX 0.216016 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 223.023 MB LDB: TIME 25.9791 LOAD: AVG 0.193524 MAX 0.213571 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 223.023 MB LDB: ============== END OF LOAD BALANCING =============== 25.9811 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 25.9859 PRESSURE: 4400 -194.857 138.216 88.5177 138.216 -89.7251 -100.152 88.5176 -100.151 14.3541 GPRESSURE: 4400 -107.607 71.1046 24.6973 140.126 -46.7042 -113.71 28.7145 -85.4162 -23.8824 PRESSAVG: 4400 2.02538 -35.2194 9.29429 -35.2194 -15.3591 -9.49112 9.29427 -9.49114 -10.2 GPRESSAVG: 4400 3.50524 -32.3127 8.07829 -35.8723 -16.3395 -10.0238 9.71608 -8.26891 -9.88548 TIMING: 4400 CPU: 13.8199, 0.00317396/step Wall: 13.8199, 0.00317396/step, 4.4044 hours remaining, 220.203125 MB of memory in use. ENERGY: 4400 3982.3098 20617.7759 14506.8060 235.4051 -203024.6409 3296.3358 0.0000 0.0000 51988.4743 -108397.5341 298.7785 -160386.0084 -108045.8608 299.4497 -90.0758 -59.3978 767342.9860 -7.8446 -7.5733 PRESSURE: 4600 0.396222 -24.8958 52.8132 -24.8961 -144.183 -209.555 52.8135 -209.554 -186.985 GPRESSURE: 4600 -16.6465 -11.6586 141.722 -104.199 -128.344 -202.326 91.3825 -314.76 -96.1075 PRESSAVG: 4600 -5.16432 -43.1983 -12.2071 -43.1984 -7.70876 5.10606 -12.2071 5.10595 -1.8705 GPRESSAVG: 4600 -6.22069 -46.6327 -11.9943 -40.1006 -7.36039 3.89009 -12.28 5.01244 -1.33984 TIMING: 4600 CPU: 14.4405, 0.00310321/step Wall: 14.4405, 0.00310321/step, 4.30605 hours remaining, 220.261719 MB of memory in use. ENERGY: 4600 3964.8948 20535.4789 14557.2742 274.2405 -202903.4917 3068.7363 0.0000 0.0000 52209.9616 -108292.9054 300.0514 -160502.8670 -107929.3773 299.4085 -110.2570 -80.3660 766917.8846 -4.9145 -4.9736 PRESSURE: 4800 9.50949 146.63 5.79758 146.631 -446.352 37.4852 5.79784 37.4846 15.6857 GPRESSURE: 4800 -43.9443 124.076 -15.14 124.281 -373.31 62.1195 15.1923 14.3925 62.7276 PRESSAVG: 4800 52.8371 -1.68098 10.8237 -1.68099 -65.9974 0.483295 10.8238 0.483247 -4.5775 GPRESSAVG: 4800 52.2069 0.276848 10.6569 -2.49204 -66.2794 0.66177 12.1741 -1.32124 -4.01491 TIMING: 4800 CPU: 15.0583, 0.00308909/step Wall: 15.0583, 0.00308909/step, 4.28628 hours remaining, 220.261719 MB of memory in use. ENERGY: 4800 4094.0212 20711.8614 14503.2470 250.1815 -202639.1169 2886.6060 0.0000 0.0000 52074.3891 -108118.8106 299.2722 -160193.1997 -107760.0685 300.0438 -140.3855 -118.1757 767297.2673 -5.9126 -6.0292 PRESSURE: 5000 -124.746 -103.235 23.8188 -103.235 -184.028 -118.508 23.8198 -118.507 -534.064 GPRESSURE: 5000 -33.3728 -142.949 54.4543 54.7476 -213.746 -165.236 109.611 52.3983 -518.775 PRESSAVG: 5000 9.47961 -58.8905 35.2644 -58.8905 -24.8013 6.56092 35.2644 6.56083 -10.0636 GPRESSAVG: 5000 11.5364 -57.9176 36.4315 -61.2129 -25.3119 6.66103 34.4014 8.25326 -11.3151 TIMING: 5000 CPU: 15.6773, 0.00309468/step Wall: 15.6773, 0.00309468/step, 4.29387 hours remaining, 220.265625 MB of memory in use. ENERGY: 5000 4030.5129 20799.4819 14546.3186 263.4292 -202540.9563 2878.2311 0.0000 0.0000 52115.8843 -107907.0983 299.5107 -160022.9826 -107554.5221 300.8704 -280.9462 -255.2980 766259.3669 -8.4618 -8.3635 PRESSURE: 5200 -158.804 -197.014 -124.249 -197.014 -248.377 -14.2806 -124.249 -14.2808 -66.7067 GPRESSURE: 5200 -110.362 -121.06 -68.7873 -252.948 -213.404 -77.8176 -75.1603 16.2366 -64.6309 PRESSAVG: 5200 -26.3223 -82.7028 -1.71421 -82.7028 15.515 -55.3061 -1.71425 -55.3059 -14.301 GPRESSAVG: 5200 -28.3048 -85.0143 -3.26778 -79.4611 16.151 -52.7765 -1.23528 -56.6517 -12.6778 TIMING: 5200 CPU: 16.2999, 0.00311314/step Wall: 16.2999, 0.00311314/step, 4.31931 hours remaining, 220.332031 MB of memory in use. ENERGY: 5200 3952.5884 20628.6994 14534.6191 250.2739 -202864.8148 2968.4853 0.0000 0.0000 52308.2945 -108221.8542 300.6165 -160530.1486 -107853.0255 300.6983 -157.9623 -129.4655 765400.4398 -8.3694 -8.2772 PRESSURE: 5400 36.7285 -283.716 58.3555 -283.716 71.5983 -106.673 58.3559 -106.673 -27.9919 GPRESSURE: 5400 -16.495 -229.176 49.3859 -346.716 191.637 -125.468 102.242 -117.145 -5.95465 PRESSAVG: 5400 18.2721 -72.6104 -23.0126 -72.6104 -48.9196 -70.8247 -23.0126 -70.8247 5.81487 GPRESSAVG: 5400 20.1584 -69.6479 -23.9453 -74.7906 -48.1099 -71.5284 -22.464 -70.9902 3.22164 TIMING: 5400 CPU: 16.9219, 0.00311/step Wall: 16.9219, 0.00311/step, 4.31478 hours remaining, 220.332031 MB of memory in use. ENERGY: 5400 4007.0345 20511.8249 14526.3280 241.4027 -202907.9603 3202.3505 0.0000 0.0000 52278.4723 -108140.5475 300.4451 -160419.0197 -107773.0039 299.9260 26.7783 56.3957 766210.2127 -8.2776 -8.2433 PRESSURE: 5600 -115.022 208.746 178.48 208.745 -94.5816 81.257 178.48 81.2568 62.6375 GPRESSURE: 5600 -116.535 185.132 165.503 135.97 -104.843 51.0663 137.107 -58.3961 127.076 PRESSAVG: 5600 -18.868 6.53397 -11.1276 6.53398 9.25984 -48.0833 -11.1276 -48.0833 5.83188 GPRESSAVG: 5600 -20.2752 5.75686 -9.81456 7.36072 8.72671 -49.9366 -12.6861 -48.1219 7.10506 TIMING: 5600 CPU: 17.5413, 0.00309691/step Wall: 17.5413, 0.00309691/step, 4.29645 hours remaining, 220.332031 MB of memory in use. ENERGY: 5600 3932.8074 20587.7569 14544.3336 228.9114 -202293.5738 2641.3145 0.0000 0.0000 52202.4138 -108156.0363 300.0080 -160358.4501 -107796.7312 300.1368 -48.9889 -31.4342 767205.7910 -1.2587 -1.4811 PRESSURE: 5800 338.154 81.023 107.296 81.0232 -132.371 -316.12 107.295 -316.119 413.042 GPRESSURE: 5800 314.709 148.749 26.8494 16.4915 -61.9756 -343.077 79.0634 -227.078 456.562 PRESSAVG: 5800 44.6445 -4.99285 6.36197 -4.99281 -2.3245 -33.7485 6.36204 -33.7486 7.68404 GPRESSAVG: 5800 45.1748 -6.53757 6.4949 -5.07123 -2.47306 -35.6028 7.30809 -32.6243 6.80973 TIMING: 5800 CPU: 18.1655, 0.00312094/step Wall: 18.1655, 0.00312094/step, 4.32961 hours remaining, 220.332031 MB of memory in use. ENERGY: 5800 3955.4356 20643.3255 14474.8852 241.3513 -202956.2317 3367.6822 0.0000 0.0000 51966.7695 -108306.7823 298.6537 -160273.5518 -107941.6615 300.3018 206.2747 236.4319 766325.3461 16.6680 16.5038 PRESSURE: 6000 -255.523 -11.3404 30.146 -11.3407 50.7833 -103.714 30.146 -103.715 -34.1255 GPRESSURE: 6000 -106.419 45.0493 22.7938 -62.2783 42.9638 -194.653 90.8432 -80.7976 -78.1518 PRESSAVG: 6000 32.8951 -6.40118 -1.44781 -6.40125 -13.0655 -24.6978 -1.44781 -24.6979 -3.47659 GPRESSAVG: 6000 33.0829 -5.71481 -1.74934 -6.43995 -13.6013 -21.998 -0.416612 -26.4365 -2.60656 TIMING: 6000 CPU: 18.787, 0.00310782/step Wall: 18.787, 0.00310782/step, 4.31124 hours remaining, 220.332031 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: 6000 3977.7174 20491.4437 14491.7555 241.4447 -202890.9189 3209.5512 0.0000 0.0000 52268.0593 -108210.9471 300.3853 -160479.0064 -107847.6741 300.2222 -79.6217 -47.2024 767842.3276 5.4510 5.6250 PRESSURE: 6200 -47.1207 53.0845 -38.5701 53.0837 -224.389 -65.0752 -38.5706 -65.0749 -64.3017 GPRESSURE: 6200 -50.7216 119.654 -48.8238 -2.66854 -130.593 -139.187 -15.2628 -90.3841 -62.0331 PRESSAVG: 6200 -21.6209 -12.7328 -4.49633 -12.7327 21.3785 -25.5154 -4.49631 -25.5154 24.4279 GPRESSAVG: 6200 -23.1548 -14.624 -4.84783 -13.108 22.2437 -25.7658 -6.53043 -27.3805 25.0062 TIMING: 6200 CPU: 19.412, 0.00312481/step Wall: 19.412, 0.00312481/step, 4.33463 hours remaining, 220.332031 MB of memory in use. ENERGY: 6200 3993.9104 20477.0896 14594.8419 237.3967 -202757.8135 2956.4138 0.0000 0.0000 52218.2016 -108279.9595 300.0987 -160498.1611 -107916.8445 299.9817 -111.9372 -81.1159 767907.6682 8.0618 8.0317 PRESSURE: 6400 -221.756 102.859 180.236 102.858 -66.5378 -290.585 180.236 -290.586 -37.2255 GPRESSURE: 6400 -273.146 85.35 141.492 169.487 -15.5656 -471.269 153.905 -129.699 45.2771 PRESSAVG: 6400 14.7966 11.2586 50.935 11.2585 -54.7422 10.597 50.935 10.5969 -16.533 GPRESSAVG: 6400 14.0156 12.412 52.9795 13.6101 -53.1463 10.2873 50.789 14.8143 -18.1245 TIMING: 6400 CPU: 20.0305, 0.00309247/step Wall: 20.0305, 0.00309247/step, 4.2896 hours remaining, 220.332031 MB of memory in use. ENERGY: 6400 4004.0258 20643.9064 14521.6288 272.6611 -203056.1714 3107.4391 0.0000 0.0000 52145.1117 -108361.3985 299.6787 -160506.5102 -108015.7613 299.6264 -108.5065 -81.1448 767729.8163 -18.8262 -19.0851 PRESSURE: 6600 386.126 -72.2343 -17.5566 -72.2344 63.6803 230.567 -17.5568 230.567 -168.567 GPRESSURE: 6600 455.475 -54.1359 -19.6781 -121.069 -15.1369 346.014 36.4635 30.706 -92.5883 PRESSAVG: 6600 36.1671 -31.1665 45.9962 -31.1664 -11.9089 13.2332 45.9961 13.2332 13.9612 GPRESSAVG: 6600 36.3146 -31.9672 47.3597 -33.7995 -12.9937 15.2669 47.8565 10.6776 14.4413 TIMING: 6600 CPU: 20.6505, 0.00310007/step Wall: 20.6505, 0.00310007/step, 4.29996 hours remaining, 220.339844 MB of memory in use. ENERGY: 6600 3865.6512 20651.0700 14538.0543 264.5506 -202767.0661 2971.2420 0.0000 0.0000 52026.1869 -108450.3111 298.9952 -160476.4980 -108091.4259 299.9022 93.7464 115.9167 766414.2803 12.7398 12.5874 PRESSURE: 6800 -70.5776 -191.42 -97.9833 -191.419 -246.995 -81.4724 -97.9831 -81.4733 337.589 GPRESSURE: 6800 -50.7799 -133.299 -91.9492 -193.571 -262.945 -114.225 -108.118 -150.976 397.058 PRESSAVG: 6800 -8.18477 -32.5993 -17.6834 -32.5993 -1.69363 -23.2389 -17.6833 -23.2389 -17.9377 GPRESSAVG: 6800 -6.85907 -32.6721 -20.8978 -31.4675 -4.3228 -25.2153 -17.4446 -21.771 -16.6499 TIMING: 6800 CPU: 21.2684, 0.00308974/step Wall: 21.2684, 0.00308974/step, 4.28546 hours remaining, 220.339844 MB of memory in use. ENERGY: 6800 3949.5859 20552.9730 14530.5163 259.9883 -202851.5482 2902.1892 0.0000 0.0000 51961.4485 -108694.8469 298.6232 -160656.2954 -108331.4222 298.9713 6.6720 27.7776 765302.9943 -9.2720 -9.2773 PRESSURE: 7000 -362.485 -47.3816 32.3041 -47.3807 -375.887 -181.041 32.3039 -181.041 -152.933 GPRESSURE: 7000 -428.034 44.6603 100.845 34.2416 -355.257 -232.393 12.3604 -185.048 -14.8305 PRESSAVG: 7000 6.37868 -23.9338 7.09884 -23.9338 13.5221 -4.46015 7.09883 -4.46018 23.9181 GPRESSAVG: 7000 5.52968 -21.5894 6.94705 -25.2337 15.6565 -1.95977 6.75091 -6.52643 23.3161 TIMING: 7000 CPU: 21.8872, 0.00309363/step Wall: 21.8872, 0.00309363/step, 4.29069 hours remaining, 220.339844 MB of memory in use. ENERGY: 7000 3939.7684 20508.0411 14510.2085 240.6006 -202414.8864 2526.0166 0.0000 0.0000 51918.6267 -108771.6245 298.3771 -160690.2511 -108403.1286 298.9684 -297.1018 -266.0406 766215.6023 14.6063 14.8341 PRESSURE: 7200 -31.931 172.113 -58.8099 172.113 -107.285 113.958 -58.8096 113.957 20.2135 GPRESSURE: 7200 -62.5882 285.27 -131.472 121.024 -16.4076 196.121 7.72173 144.177 37.1922 PRESSAVG: 7200 7.52673 -28.2562 -19.239 -28.2562 -10.6672 -13.2306 -19.239 -13.2306 39.556 GPRESSAVG: 7200 9.1937 -30.1706 -19.6022 -28.7524 -12.1783 -15.3166 -17.5907 -9.56521 39.608 TIMING: 7200 CPU: 22.5057, 0.0030926/step Wall: 22.5057, 0.0030926/step, 4.28909 hours remaining, 220.339844 MB of memory in use. ENERGY: 7200 4044.5571 20479.3007 14614.1725 247.7389 -202929.8439 2753.9139 0.0000 0.0000 51833.7334 -108956.4274 297.8892 -160790.1608 -108606.8258 298.4144 -39.6676 -13.9345 764306.3077 12.1385 12.2078 PRESSURE: 7400 -66.9718 -74.3629 23.3185 -74.3633 -506.485 -205.752 23.3194 -205.752 -183.625 GPRESSURE: 7400 -123.457 -54.4234 34.7041 24.0285 -371.249 -89.0056 -76.5043 -260.934 -163.621 PRESSAVG: 7400 17.1385 -48.2576 52.9966 -48.2576 -55.3929 -26.1157 52.9966 -26.1157 26.748 GPRESSAVG: 7400 16.2524 -47.8375 54.0428 -49.4878 -53.9836 -24.677 51.67 -26.7054 26.3887 TIMING: 7400 CPU: 23.122, 0.00308149/step Wall: 23.122, 0.00308149/step, 4.27352 hours remaining, 220.339844 MB of memory in use. ENERGY: 7400 4028.0768 20480.6588 14537.5354 238.9030 -202573.2498 2697.3943 0.0000 0.0000 51695.7065 -108894.9750 297.0959 -160590.6815 -108545.2577 298.2032 -252.3608 -219.4424 764398.7731 -3.8355 -3.7808 PRESSURE: 7600 224.526 -273.204 -221.456 -273.204 71.5466 246.241 -221.456 246.24 529.644 GPRESSURE: 7600 218.677 -289.807 -226.728 -210.335 88.7201 171.39 -110.074 212.054 592.552 PRESSAVG: 7600 -61.8935 -18.525 0.854394 -18.525 27.221 -38.9196 0.854396 -38.9196 -2.80228 GPRESSAVG: 7600 -62.5125 -18.5426 0.774164 -16.122 27.3367 -40.1665 0.0555349 -40.3524 -2.47939 TIMING: 7600 CPU: 23.7401, 0.00309072/step Wall: 23.7401, 0.00309072/step, 4.28614 hours remaining, 220.351562 MB of memory in use. ENERGY: 7600 3986.3783 20468.9679 14455.4695 254.2798 -202904.7634 2739.8251 0.0000 0.0000 52175.1890 -108824.6538 299.8515 -160999.8428 -108464.0716 298.6946 275.2389 299.9832 764410.1503 -12.4916 -12.5517 PRESSURE: 7800 -186.31 -52.2803 210.547 -52.2811 -438.373 -139.621 210.546 -139.622 -63.3119 GPRESSURE: 7800 -184.417 -28.594 231.281 -78.2663 -357.469 -272.639 161.855 -101.073 -57.1416 PRESSAVG: 7800 -37.4913 -16.5474 5.54711 -16.5475 7.15091 21.1682 5.54706 21.1682 0.932673 GPRESSAVG: 7800 -38.5653 -15.9329 6.35951 -18.1107 7.53123 20.2821 6.80462 18.6793 1.21214 TIMING: 7800 CPU: 24.3572, 0.0030853/step Wall: 24.3572, 0.00308529/step, 4.27845 hours remaining, 220.351562 MB of memory in use. ENERGY: 7800 4053.3338 20455.6733 14544.0348 265.0419 -202450.4893 2591.1086 0.0000 0.0000 52142.7803 -108398.5167 299.6653 -160541.2969 -108038.7922 299.6489 -229.3316 -199.6759 764955.7816 -9.8026 -9.9407 PRESSURE: 8000 183.322 163.385 93.2725 163.385 -74.0813 -1.27739 93.2718 -1.27852 208.116 GPRESSURE: 8000 164.998 145.502 127.931 122.564 -56.5604 93.8132 -25.6389 -16.5958 310.594 PRESSAVG: 8000 0.0332294 -45.6303 -0.443931 -45.6302 -6.11984 29.1373 -0.44391 29.1372 14.7727 GPRESSAVG: 8000 0.942527 -47.9958 -0.525952 -44.3924 -5.88685 29.8386 1.96374 31.8742 13.6067 TIMING: 8000 CPU: 24.9796, 0.00311181/step Wall: 24.9796, 0.00311181/step, 4.31504 hours remaining, 220.351562 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: 8000 4046.9132 20550.6065 14513.3061 256.1197 -202942.4512 3067.8722 0.0000 0.0000 52000.4088 -108507.2246 298.8471 -160507.6334 -108151.2373 299.7860 105.7857 139.6770 765224.9209 2.8954 2.8875 PRESSURE: 8200 -71.6701 56.1678 -114.683 56.1673 20.7672 -96.4745 -114.683 -96.4742 156.098 GPRESSURE: 8200 35.9784 201.008 -116.446 62.7044 14.8177 -124.391 -125.248 -79.6903 129.384 PRESSAVG: 8200 -55.328 -44.6116 -37.3149 -44.6117 -14.8763 -66.6526 -37.3148 -66.6525 11.8024 GPRESSAVG: 8200 -55.6827 -41.2474 -38.5481 -45.7064 -16.4358 -64.1283 -41.5851 -68.4306 13.1987 TIMING: 8200 CPU: 25.6018, 0.0031113/step Wall: 25.6018, 0.0031113/step, 4.31417 hours remaining, 220.351562 MB of memory in use. ENERGY: 8200 4070.4717 20622.7651 14535.6188 255.5939 -203239.5949 3136.3517 0.0000 0.0000 52244.6041 -108374.1896 300.2505 -160618.7937 -108014.9503 300.1240 35.0649 60.0599 763794.3788 -19.4673 -19.6399 LDB: ============= START OF LOAD BALANCING ============== 38.0805 LDB: ============== END OF LOAD BALANCING =============== 38.0807 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 38.0824 LDB: ============= START OF LOAD BALANCING ============== 38.3925 LDB: Largest compute 6986 load 0.028791 is 14.9% of average load 0.193563 LDB: Average compute 0.004337 is 2.2% of average load 0.193563 LDB: TIME 38.3959 LOAD: AVG 0.193563 MAX 0.218264 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 221.871 MB LDB: TIME 38.3963 LOAD: AVG 0.193563 MAX 0.218264 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 221.895 MB LDB: TIME 38.3964 LOAD: AVG 0.193563 MAX 0.212855 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 221.895 MB LDB: ============== END OF LOAD BALANCING =============== 38.3988 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 38.4036 PRESSURE: 8400 288.485 -190.142 -63.6973 -190.142 184.472 -232.092 -63.6974 -232.091 177.738 GPRESSURE: 8400 303.959 -141.139 -142.753 -221.669 159.985 -190.053 -29.1863 -255.129 268.708 PRESSAVG: 8400 -16.7834 -44.3126 -15.6306 -44.3126 63.1846 -71.5925 -15.6306 -71.5925 15.2186 GPRESSAVG: 8400 -16.42 -45.1231 -15.6276 -43.6288 64.1091 -74.3209 -14.153 -71.4769 13.6125 TIMING: 8400 CPU: 26.2376, 0.00317896/step Wall: 26.2376, 0.00317896/step, 4.4078 hours remaining, 222.828125 MB of memory in use. ENERGY: 8400 4067.5218 20477.2299 14452.0650 244.0855 -203172.8198 3289.5146 0.0000 0.0000 52068.2399 -108574.1632 299.2369 -160642.4030 -108210.9868 300.0631 216.8981 244.2172 763634.7095 20.5399 20.4339 PRESSURE: 8600 -169.197 -138.257 -122.422 -138.257 10.6069 -125.492 -122.422 -125.493 68.8944 GPRESSURE: 8600 -65.5459 -80.1185 -47.356 -94.2865 -5.07696 -43.872 -171.839 -1.68879 64.452 PRESSAVG: 8600 -17.4754 -26.3695 4.09245 -26.3695 14.733 -45.1672 4.09233 -45.1672 18.7057 GPRESSAVG: 8600 -17.3624 -27.2513 4.9759 -26.1385 14.0938 -44.9222 2.67901 -44.1549 19.271 TIMING: 8600 CPU: 26.8577, 0.00310064/step Wall: 26.8577, 0.00310064/step, 4.29903 hours remaining, 223.199219 MB of memory in use. ENERGY: 8600 3969.1586 20579.7224 14561.7434 242.3655 -203207.9161 3313.3982 0.0000 0.0000 52084.8597 -108456.6682 299.3324 -160541.5279 -108098.2526 299.0772 -29.8985 -2.0569 764773.4596 5.3211 5.3341 PRESSURE: 8800 -295.857 -79.2603 -170.871 -79.26 -48.6157 -84.2087 -170.871 -84.2086 -26.8236 GPRESSURE: 8800 -216.119 36.1346 -281.45 -52.5039 -11.6641 -170.825 -105.027 -44.9561 -42.516 PRESSAVG: 8800 18.685 -36.7931 2.08491 -36.7931 -15.6673 -3.46581 2.08492 -3.46585 -24.5843 GPRESSAVG: 8800 17.9419 -36.5232 2.74764 -35.4121 -15.2622 -1.93874 4.07641 -4.88886 -24.5122 TIMING: 8800 CPU: 27.4785, 0.0031036/step Wall: 27.4785, 0.0031036/step, 4.30297 hours remaining, 223.199219 MB of memory in use. ENERGY: 8800 4057.7377 20475.3421 14510.6308 254.7214 -202925.7769 2886.8713 0.0000 0.0000 52202.1811 -108538.2925 300.0067 -160740.4736 -108174.6978 299.8180 -123.7654 -90.0998 765774.8420 -7.1889 -7.2775 PRESSURE: 9000 -103.722 100.235 -112.318 100.235 -479.798 83.6056 -112.319 83.6069 115.36 GPRESSURE: 9000 -75.3076 107.036 -75.7221 100.359 -384.858 136.637 -177.235 90.6088 82.1932 PRESSAVG: 9000 -16.0802 -18.8919 9.57157 -18.8919 -6.68847 -61.948 9.57161 -61.9479 -0.52678 GPRESSAVG: 9000 -16.0359 -19.3197 10.1419 -20.9278 -6.53681 -63.7735 8.34287 -61.6504 -0.718524 TIMING: 9000 CPU: 28.0985, 0.00310044/step Wall: 28.0985, 0.00310044/step, 4.29841 hours remaining, 223.199219 MB of memory in use. ENERGY: 9000 3905.0515 20552.8426 14482.9058 266.5922 -202919.1493 2785.8555 0.0000 0.0000 52217.8816 -108708.0201 300.0969 -160925.9017 -108335.0081 299.6559 -156.0534 -125.9909 765741.9266 -7.7652 -7.7637 PRESSURE: 9200 -86.8168 70.1591 18.2744 70.1586 53.4951 154.345 18.2752 154.345 -518.229 GPRESSURE: 9200 -48.6135 80.3998 71.9247 71.835 93.7383 109.609 28.8765 96.2072 -515.953 PRESSAVG: 9200 -18.8825 -0.636128 -16.9422 -0.636144 32.7489 26.635 -16.9421 26.6349 -9.4304 GPRESSAVG: 9200 -16.9896 -0.890933 -16.5133 1.63052 31.0268 28.1434 -15.4064 27.4295 -10.0562 TIMING: 9200 CPU: 28.7159, 0.00308693/step Wall: 28.7159, 0.00308693/step, 4.27951 hours remaining, 223.199219 MB of memory in use. ENERGY: 9200 4013.4948 20403.4050 14489.5012 254.8622 -203241.3713 3061.6435 0.0000 0.0000 52126.1669 -108892.2978 299.5698 -161018.4647 -108531.0462 299.3057 -183.8502 -156.9427 765844.7637 1.4787 1.3270 PRESSURE: 9400 -127.582 86.8365 -380.327 86.837 28.8545 -274.876 -380.327 -274.875 -181.633 GPRESSURE: 9400 -163.993 101.755 -355.02 96.6377 41.8393 -255.47 -363.319 -253.765 -64.4299 PRESSAVG: 9400 -58.9592 -0.621539 -7.66156 -0.621572 51.6542 8.41415 -7.66161 8.41416 2.68798 GPRESSAVG: 9400 -60.5022 -0.9416 -9.28239 -0.371987 54.0627 7.03118 -7.30269 9.78755 3.26018 TIMING: 9400 CPU: 29.3394, 0.00311752/step Wall: 29.3394, 0.00311752/step, 4.32175 hours remaining, 223.175781 MB of memory in use. ENERGY: 9400 3987.8814 20449.2702 14565.2067 256.2694 -202817.5521 2889.7505 0.0000 0.0000 51820.8333 -108848.3407 297.8150 -160669.1740 -108494.4327 298.9107 -93.4533 -62.1944 764619.5166 -1.5390 -1.0598 PRESSURE: 9600 -162.089 -27.2288 57.9079 -27.2285 231.278 151.998 57.9092 151.998 15.1442 GPRESSURE: 9600 -72.4024 100.445 82.098 -43.5334 256.023 277.539 -54.4518 69.8865 -13.5061 PRESSAVG: 9600 21.6091 -5.69847 3.94529 -5.69851 23.4653 -24.8775 3.94532 -24.8776 -11.9917 GPRESSAVG: 9600 22.1688 -6.09407 4.8813 -8.36382 23.3635 -23.6701 3.62314 -26.5066 -12.2391 TIMING: 9600 CPU: 29.9601, 0.00310347/step Wall: 29.9601, 0.00310347/step, 4.3021 hours remaining, 223.312500 MB of memory in use. ENERGY: 9600 3993.1975 20569.3851 14494.6145 254.9488 -202884.3430 2906.7430 0.0000 0.0000 51983.4211 -108682.0328 298.7494 -160665.4540 -108316.7766 299.1089 28.1111 56.7048 766029.7472 11.0276 11.0977 PRESSURE: 9800 -172.024 95.3693 -146.508 95.3697 -175.377 -13.0749 -146.508 -13.0758 -241.08 GPRESSURE: 9800 -144.456 208.506 -181.12 56.464 -173.389 -18.7871 -16.4316 -83.0527 -177.192 PRESSAVG: 9800 -13.0556 -0.562536 -18.8654 -0.562467 -12.0774 -35.3451 -18.8655 -35.3452 10.3156 GPRESSAVG: 9800 -13.4584 0.895237 -17.964 -2.05163 -12.5211 -36.1338 -19.5262 -33.5542 11.1455 TIMING: 9800 CPU: 30.5807, 0.00310265/step Wall: 30.5807, 0.00310265/step, 4.30079 hours remaining, 223.335938 MB of memory in use. ENERGY: 9800 3992.3157 20554.1221 14550.4727 253.9279 -202966.0967 3055.3866 0.0000 0.0000 51820.5654 -108739.3062 297.8135 -160559.8716 -108372.4393 299.4409 -196.1601 -165.0123 768080.8747 -4.9391 -4.9447 PRESSURE: 10000 137.039 -76.521 29.1939 -76.5212 -112.577 -252.247 29.193 -252.247 -385.346 GPRESSURE: 10000 197.696 -63.2953 12.4661 123.655 -105.746 -112.238 -80.4958 -218.037 -388.835 PRESSAVG: 10000 -26.9929 -2.08484 -37.23 -2.08484 21.9148 -70.4171 -37.23 -70.4171 -15.5316 GPRESSAVG: 10000 -27.0218 -2.90568 -37.9299 -1.35473 21.5731 -70.594 -36.4843 -70.3393 -15.2314 TIMING: 10000 CPU: 31.2011, 0.00310221/step Wall: 31.2011, 0.00310221/step, 4.30001 hours remaining, 223.339844 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: 10000 4002.1797 20560.5766 14501.9302 230.8695 -203342.6057 3205.6681 0.0000 0.0000 51957.5331 -108883.8485 298.6007 -160841.3817 -108517.4316 298.7860 -120.2945 -98.9618 766465.6760 -6.8699 -6.8934 PRESSURE: 10200 -57.2983 55.6723 -134.986 55.672 -338.285 -169.623 -134.985 -169.623 -127.464 GPRESSURE: 10200 42.6178 132.426 -49.5377 -111.804 -287.754 -202.256 -228.547 -286.028 -184.698 PRESSAVG: 10200 21.8775 0.655402 -53.0491 0.655335 -59.4973 -60.9034 -53.049 -60.9034 14.8017 GPRESSAVG: 10200 23.1653 1.65226 -52.5333 0.840419 -60.3231 -62.2546 -53.2521 -62.9261 14.4391 TIMING: 10200 CPU: 31.8203, 0.003096/step Wall: 31.8203, 0.003096/step, 4.29122 hours remaining, 223.339844 MB of memory in use. ENERGY: 10200 4074.3282 20555.6486 14500.7124 266.3696 -203492.6955 3237.4012 0.0000 0.0000 51910.5957 -108947.6398 298.3309 -160858.2355 -108584.0016 298.7412 -174.3490 -143.2778 766062.8616 -7.6061 -7.5729 PRESSURE: 10400 316.732 -201.89 -23.8849 -201.89 -111.265 -114.822 -23.8851 -114.821 77.9672 GPRESSURE: 10400 323.591 -153.169 20.1083 -189.417 -46.3132 -97.2532 30.8484 -52.7118 70.4996 PRESSAVG: 10400 17.3376 -27.7755 -35.7604 -27.7755 17.4097 -24.6982 -35.7604 -24.6982 13.6569 GPRESSAVG: 10400 16.4025 -28.3004 -36.987 -27.4677 17.8366 -22.3576 -37.7348 -24.289 14.8369 TIMING: 10400 CPU: 32.4397, 0.00309698/step Wall: 32.4397, 0.00309698/step, 4.29241 hours remaining, 223.339844 MB of memory in use. ENERGY: 10400 4029.5025 20536.9522 14504.7942 246.5454 -203266.1892 3137.9598 0.0000 0.0000 51877.3684 -108933.0667 298.1399 -160810.4352 -108572.5428 298.7204 94.4783 115.9259 765858.0934 16.1347 16.3586 PRESSURE: 10600 -65.9759 6.31302 -26.0274 6.31238 -84.3641 62.3597 -26.0284 62.3594 -385.715 GPRESSURE: 10600 1.11763 -94.4695 -34.9147 0.445127 -49.3266 90.3927 -171.288 178.3 -418.698 PRESSAVG: 10600 42.2164 -32.7299 -17.4151 -32.7299 -49.5602 -38.472 -17.4151 -38.4719 4.2395 GPRESSAVG: 10600 43.041 -33.3539 -17.1897 -32.4673 -49.4217 -37.5883 -14.4106 -37.7198 3.50254 TIMING: 10600 CPU: 33.059, 0.00309653/step Wall: 33.059, 0.00309653/step, 4.29162 hours remaining, 223.339844 MB of memory in use. ENERGY: 10600 4007.5077 20389.0829 14605.1089 253.8946 -203247.8195 3190.4678 0.0000 0.0000 52047.1860 -108754.5716 299.1159 -160801.7576 -108384.7156 298.9998 -178.6848 -155.6356 765521.1781 -1.0348 -0.9594 PRESSURE: 10800 -182.335 48.9418 12.3415 48.9422 -62.3855 253.878 12.3417 253.878 54.4269 GPRESSURE: 10800 -183.457 -14.2351 -4.50741 -82.2954 37.5089 135.837 97.7829 128.023 20.3794 PRESSAVG: 10800 55.5634 -50.9238 38.6113 -50.9239 -72.2986 -36.3034 38.6112 -36.3034 6.67289 GPRESSAVG: 10800 55.125 -50.1703 38.0758 -51.8704 -72.4848 -37.459 37.3151 -36.4888 7.49912 TIMING: 10800 CPU: 33.6775, 0.00309266/step Wall: 33.6775, 0.00309266/step, 4.28608 hours remaining, 223.339844 MB of memory in use. ENERGY: 10800 4047.4448 20516.3223 14523.5545 238.0010 -203109.0909 3006.4945 0.0000 0.0000 51926.2257 -108851.0482 298.4207 -160777.2739 -108489.2471 299.2988 -63.4312 -41.8564 765696.1194 -3.3541 -3.2869 PRESSURE: 11000 -476.047 -157.759 26.6302 -157.759 -117.177 -68.5355 26.6297 -68.5364 234.947 GPRESSURE: 11000 -371.384 25.8272 -66.1383 -292.592 -114.833 -141.381 46.3484 56.5498 200.415 PRESSAVG: 11000 -32.8772 -55.5323 41.8499 -55.5323 -17.4366 -44.5754 41.8499 -44.5754 -1.9291 GPRESSAVG: 11000 -32.5907 -55.921 42.7022 -54.1986 -16.8336 -45.2457 41.5843 -44.7875 -2.68896 TIMING: 11000 CPU: 34.2957, 0.00309076/step Wall: 34.2957, 0.00309076/step, 4.28328 hours remaining, 223.339844 MB of memory in use. ENERGY: 11000 3977.0725 20536.9274 14541.9819 247.5462 -203066.4149 2958.2392 0.0000 0.0000 51820.1587 -108984.4890 297.8112 -160804.6476 -108631.0684 298.4566 -119.4258 -95.2675 766671.0176 -17.4143 -17.3711 PRESSURE: 11200 51.2112 -102.387 -30.5045 -102.387 97.0687 48.2404 -30.5047 48.2396 -166.238 GPRESSURE: 11200 116.063 -122.184 -78.1408 -124.7 39.3667 23.5892 -30.2499 -1.54177 -71.7356 PRESSAVG: 11200 25.134 -29.0308 -24.6635 -29.0309 -11.9803 -77.5828 -24.6635 -77.583 -18.8294 GPRESSAVG: 11200 26.5757 -28.9852 -25.6296 -28.9428 -13.6427 -76.005 -23.1789 -78.7837 -18.4624 TIMING: 11200 CPU: 34.9133, 0.00308813/step Wall: 34.9133, 0.00308813/step, 4.27946 hours remaining, 223.339844 MB of memory in use. ENERGY: 11200 3900.9941 20370.4672 14497.1816 234.8339 -203739.3285 3484.7649 0.0000 0.0000 51915.5673 -109335.5195 298.3595 -161251.0869 -108979.1712 297.9257 -5.9862 27.8979 766875.1234 -1.8919 -1.8431 PRESSURE: 11400 -421.201 95.2534 200.974 95.2533 -274.859 -199.587 200.973 -199.586 -207.607 GPRESSURE: 11400 -359.831 56.4944 178.704 -4.28826 -216.887 -255.386 159.507 -184.93 -238.476 PRESSAVG: 11400 55.7787 -36.8047 32.4335 -36.8047 -65.2531 -8.77933 32.4334 -8.7793 5.93966 GPRESSAVG: 11400 55.1253 -35.436 34.5608 -39.355 -63.4688 -9.88577 32.797 -7.2542 5.30538 TIMING: 11400 CPU: 35.5317, 0.00309184/step Wall: 35.5317, 0.00309184/step, 4.28443 hours remaining, 223.339844 MB of memory in use. ENERGY: 11400 4002.2360 20455.8283 14494.7546 232.5048 -203029.6847 2767.1762 0.0000 0.0000 51973.3167 -109103.8680 298.6914 -161077.1848 -108746.0703 297.5482 -301.2223 -271.7311 768180.6756 -1.1782 -1.0127 PRESSURE: 11600 186.37 -147.81 -134.619 -147.811 -41.8778 13.6936 -134.619 13.6943 -14.9491 GPRESSURE: 11600 223.62 -178.806 -44.1958 -53.379 -58.3658 40.3789 -162.23 -80.7482 44.5035 PRESSAVG: 11600 0.559726 -49.4342 40.4466 -49.4341 -1.35599 -28.981 40.4466 -28.981 35.9583 GPRESSAVG: 11600 0.775618 -49.8825 38.8041 -47.1329 -1.70054 -27.8138 40.48 -32.3959 35.8888 TIMING: 11600 CPU: 36.1529, 0.00310624/step Wall: 36.1529, 0.00310624/step, 4.30421 hours remaining, 223.339844 MB of memory in use. ENERGY: 11600 3970.4618 20491.8366 14533.9144 240.9229 -203160.1945 3101.0221 0.0000 0.0000 51994.4521 -108827.5846 298.8128 -160822.0367 -108468.4051 298.6053 43.1811 69.9193 766337.7313 11.7207 11.6546 PRESSURE: 11800 -112.651 1.11623 -85.5089 1.11663 -343.444 -228.718 -85.5089 -228.718 -123.86 GPRESSURE: 11800 -107.43 -43.7723 -168.523 -15.9311 -296.769 -185.93 -72.799 -99.4963 -85.0866 PRESSAVG: 11800 -10.8342 -43.6985 -22.4835 -43.6984 22.9088 -42.6008 -22.4836 -42.6008 -22.793 GPRESSAVG: 11800 -12.0539 -44.0727 -23.1608 -42.1049 23.5624 -44.6587 -23.5419 -39.1306 -22.1831 TIMING: 11800 CPU: 36.7744, 0.00310749/step Wall: 36.7744, 0.00310749/step, 4.30578 hours remaining, 223.339844 MB of memory in use. ENERGY: 11800 4017.6513 20504.5125 14622.9561 247.8502 -202904.1140 2661.7860 0.0000 0.0000 52015.4581 -108833.8997 298.9336 -160849.3579 -108470.0876 298.4801 -193.3185 -163.0950 767317.9609 -3.5728 -3.5582 PRESSURE: 12000 51.9252 -136.683 228.827 -136.683 -90.9098 13.586 228.827 13.586 -63.4344 GPRESSURE: 12000 87.335 -37.9193 168.821 -238.331 -72.4074 27.1252 259.011 48.2416 -37.795 PRESSAVG: 12000 21.5402 -50.3494 -16.2827 -50.3494 -36.4682 -20.925 -16.2827 -20.9249 -4.28766 GPRESSAVG: 12000 22.1366 -49.1247 -14.7775 -52.857 -36.1087 -21.0047 -14.5743 -21.3484 -4.83957 TIMING: 12000 CPU: 37.3916, 0.00308567/step Wall: 37.3916, 0.00308567/step, 4.27537 hours remaining, 223.339844 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: 12000 4057.5554 20574.8678 14554.4020 219.6730 -203305.6057 3088.0455 0.0000 0.0000 51876.9055 -108934.1565 298.1373 -160811.0621 -108588.0884 299.1192 -34.1397 -7.6225 766208.2740 -6.4052 -6.2706 PRESSURE: 12200 15.3715 -52.9993 21.8494 -52.9992 -410.159 -1.90864 21.8496 -1.90967 -231.541 GPRESSURE: 12200 15.8835 -45.8327 16.4916 -41.7465 -331.967 17.126 -112.033 12.0486 -229.472 PRESSAVG: 12200 -22.9875 -62.1121 35.6773 -62.112 -4.22047 19.4081 35.6773 19.4081 2.52287 GPRESSAVG: 12200 -22.7986 -63.9554 36.9971 -61.3574 -5.53935 19.136 35.1273 18.7183 3.52646 TIMING: 12200 CPU: 38.0132, 0.00310821/step Wall: 38.0132, 0.00310821/step, 4.30643 hours remaining, 223.339844 MB of memory in use. ENERGY: 12200 3994.7777 20429.9091 14562.2413 253.8178 -203476.2386 2975.0230 0.0000 0.0000 52104.2378 -109156.2320 299.4438 -161260.4697 -108797.5754 298.8094 -208.7763 -181.8518 766591.5491 -8.2284 -8.2705 LDB: ============= START OF LOAD BALANCING ============== 50.4902 LDB: ============== END OF LOAD BALANCING =============== 50.4903 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 50.4919 LDB: ============= START OF LOAD BALANCING ============== 50.8039 LDB: Largest compute 6987 load 0.028456 is 14.7% of average load 0.193698 LDB: Average compute 0.004335 is 2.2% of average load 0.193698 LDB: TIME 50.8072 LOAD: AVG 0.193698 MAX 0.218425 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 220.836 MB LDB: TIME 50.8076 LOAD: AVG 0.193698 MAX 0.218425 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 220.836 MB LDB: TIME 50.8077 LOAD: AVG 0.193698 MAX 0.212459 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 220.836 MB LDB: ============== END OF LOAD BALANCING =============== 50.8097 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 50.8145 PRESSURE: 12400 -164.542 169.243 -58.9071 169.243 -414.015 -56.8175 -58.9076 -56.8172 -115.105 GPRESSURE: 12400 -24.3655 180.72 -19.6082 126.219 -448.421 -14.6829 20.8567 98.27 -138.691 PRESSAVG: 12400 13.6354 -4.61885 41.3175 -4.61886 -19.2264 21.0808 41.3176 21.0809 1.89888 GPRESSAVG: 12400 15.1671 -2.96354 39.9058 -6.85622 -18.2401 22.3787 41.3338 22.0265 -0.288982 TIMING: 12400 CPU: 38.6487, 0.00317739/step Wall: 38.6487, 0.00317739/step, 4.4021 hours remaining, 221.554688 MB of memory in use. ENERGY: 12400 3969.5964 20510.8629 14533.7720 237.1812 -203290.0264 2902.5115 0.0000 0.0000 51975.6499 -109160.4526 298.7048 -161136.1025 -108786.1189 298.8157 -231.2208 -203.8257 766205.5611 -1.2307 -1.1207 PRESSURE: 12600 2.03631 -39.4085 -136.009 -39.4085 -504.771 -129.44 -136.008 -129.44 -278.232 GPRESSURE: 12600 5.02941 67.2307 -32.4779 -56.063 -490.5 34.8766 -252.059 -91.5618 -228.751 PRESSAVG: 12600 14.521 7.27659 -25.4629 7.27662 -4.23749 21.1585 -25.4629 21.1585 -12.5144 GPRESSAVG: 12600 13.3682 6.51258 -25.8891 9.31969 -4.41688 19.7391 -25.2433 20.7426 -11.45 TIMING: 12600 CPU: 39.2656, 0.00308482/step Wall: 39.2656, 0.00308482/step, 4.27368 hours remaining, 222.089844 MB of memory in use. ENERGY: 12600 4047.8613 20452.5068 14621.8261 243.3965 -203615.4424 3277.4017 0.0000 0.0000 51866.3823 -109106.0677 298.0768 -160972.4500 -108751.3370 297.8216 -260.3224 -238.0741 765634.3936 -0.7437 -0.8329 PRESSURE: 12800 39.0221 94.2979 -113.748 94.2974 352.833 164.908 -113.749 164.908 -79.292 GPRESSURE: 12800 4.78655 79.8084 -146.319 35.5718 440.817 164.278 -159.064 62.1428 -46.6055 PRESSAVG: 12800 24.0088 -32.1935 -4.15892 -32.1935 -9.83445 32.4562 -4.15896 32.4563 2.58916 GPRESSAVG: 12800 23.9634 -30.3467 -4.77465 -33.5541 -9.26181 33.6818 -3.79046 33.2768 1.75497 TIMING: 12800 CPU: 39.883, 0.00308675/step Wall: 39.883, 0.00308675/step, 4.27618 hours remaining, 222.089844 MB of memory in use. ENERGY: 12800 4048.8023 20443.4285 14515.8747 240.7749 -203441.2064 3080.4940 0.0000 0.0000 51860.6381 -109251.1939 298.0438 -161111.8320 -108899.0447 298.4175 104.1879 132.9993 763654.9256 5.5878 5.4855 PRESSURE: 13000 -148.368 92.4998 -103.981 92.4989 16.8791 -159.194 -103.981 -159.193 -278.517 GPRESSURE: 13000 -130.359 68.3309 -122.82 40.9554 66.3646 -171.48 -82.0804 -163.788 -254.842 PRESSAVG: 13000 -10.249 -6.88295 -40.1496 -6.8829 18.3697 -57.049 -40.1497 -57.049 -15.947 GPRESSAVG: 13000 -10.0378 -8.16437 -39.6111 -4.49954 17.3569 -55.5417 -42.0179 -58.771 -15.5343 TIMING: 13000 CPU: 40.5033, 0.00310139/step Wall: 40.5033, 0.00310139/step, 4.29628 hours remaining, 222.089844 MB of memory in use. ENERGY: 13000 3992.3586 20452.9856 14539.3097 234.8207 -203171.3215 2967.3274 0.0000 0.0000 51829.0186 -109155.5010 297.8621 -160984.5195 -108789.4201 298.2301 -136.6686 -106.2787 765794.3274 -2.6088 -2.7384 PRESSURE: 13200 -348.883 -104.22 -208.526 -104.22 226.197 -169.234 -208.526 -169.234 -58.8872 GPRESSURE: 13200 -293.028 -52.6809 -111.366 -119.478 128.038 -110.347 -152.441 -240.485 68.5798 PRESSAVG: 13200 -2.35926 -21.8182 20.5092 -21.8182 -8.29472 -36.7544 20.5092 -36.7545 -4.5136 GPRESSAVG: 13200 -1.72588 -23.7798 20.4703 -21.4345 -9.30217 -38.1034 22.6544 -37.1783 -4.51012 TIMING: 13200 CPU: 41.1292, 0.00312976/step Wall: 41.1292, 0.00312976/step, 4.33542 hours remaining, 222.089844 MB of memory in use. ENERGY: 13200 3920.1075 20564.8041 14616.8285 250.6096 -203582.2668 3014.0942 0.0000 0.0000 52009.5560 -109206.2669 298.8996 -161215.8229 -108843.9276 298.3339 -60.5244 -32.1370 765432.1938 -5.0559 -5.1794 PRESSURE: 13400 -256.813 8.70708 297.257 8.70705 138.112 -49.6891 297.257 -49.6891 -338.228 GPRESSURE: 13400 -190.49 101.363 301.829 76.4511 165.629 -126.358 248.89 -144.383 -358.312 PRESSAVG: 13400 -32.3314 -29.7606 -19.0325 -29.7606 24.5316 25.5098 -19.0325 25.5098 -8.70877 GPRESSAVG: 13400 -32.8079 -27.4533 -19.0405 -31.189 24.7879 23.7099 -20.0173 25.5889 -8.99995 TIMING: 13400 CPU: 41.7504, 0.00310579/step Wall: 41.7504, 0.00310579/step, 4.30203 hours remaining, 222.089844 MB of memory in use. ENERGY: 13400 3954.3214 20453.2668 14625.3410 237.8777 -202939.7086 2730.8436 0.0000 0.0000 51721.4037 -109216.6543 297.2436 -160938.0580 -108854.2342 297.6155 -152.3096 -127.7243 766413.9190 -5.5029 -5.6733 PRESSURE: 13600 150.057 18.4271 -29.1064 18.4261 -244.985 -69.9543 -29.105 -69.9523 179.34 GPRESSURE: 13600 134.668 -41.6521 59.2281 17.9616 -160.489 -73.9555 -126.475 28.312 180.174 PRESSAVG: 13600 -32.1558 -12.1036 6.93315 -12.1037 15.1841 38.9986 6.93321 38.9986 -23.1129 GPRESSAVG: 13600 -33.1272 -11.0228 7.67959 -13.7535 15.4932 39.825 5.33766 39.4595 -21.9922 TIMING: 13600 CPU: 42.3704, 0.00310004/step Wall: 42.3704, 0.00310004/step, 4.2939 hours remaining, 222.089844 MB of memory in use. ENERGY: 13600 4025.8112 20376.6019 14526.3122 248.7283 -203554.3615 3302.6324 0.0000 0.0000 51822.6381 -109251.6374 297.8254 -161074.2755 -108891.1275 297.8197 28.1373 51.4508 767709.5491 -13.3616 -13.2087 PRESSURE: 13800 337.208 -130.898 -51.8908 -130.898 607.969 6.91165 -51.8897 6.91203 290.825 GPRESSURE: 13800 386.02 -130.762 -15.758 -107.497 593.734 129.623 -5.67564 -29.8493 338.789 PRESSAVG: 13800 -2.11899 3.60741 -23.2995 3.6074 16.1788 22.2594 -23.2995 22.2594 5.45488 GPRESSAVG: 13800 -3.16626 1.94653 -22.0263 6.28298 16.4989 23.6033 -22.4988 20.5981 5.7659 TIMING: 13800 CPU: 42.9914, 0.00310522/step Wall: 42.9914, 0.00310522/step, 4.3009 hours remaining, 222.089844 MB of memory in use. ENERGY: 13800 3924.9466 20459.6133 14588.9359 259.3659 -203687.0748 3479.9213 0.0000 0.0000 51806.7108 -109167.5809 297.7339 -160974.2918 -108803.0138 298.0537 412.0009 439.5143 765793.1213 6.5049 6.3662 PRESSURE: 14000 -427.834 10.1965 65.4033 10.1973 -60.8834 -194.188 65.4036 -194.188 -89.1602 GPRESSURE: 14000 -291.687 -115.894 98.6189 -21.1996 -151.601 -238.085 15.9573 -273.161 -49.5008 PRESSAVG: 14000 -21.6053 -14.709 60.9132 -14.709 20.0481 19.8153 60.9132 19.8153 -15.5989 GPRESSAVG: 14000 -20.5371 -15.1295 59.0695 -15.287 20.2929 20.0788 60.5332 21.5831 -16.4332 TIMING: 14000 CPU: 43.6104, 0.00309508/step Wall: 43.6104, 0.00309508/step, 4.28668 hours remaining, 222.089844 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: 14000 3939.5601 20272.1781 14565.7673 248.7733 -203127.3481 2934.9591 0.0000 0.0000 51855.0496 -109311.0605 298.0117 -161166.1102 -108942.5104 297.6365 -192.6260 -164.2628 767573.2026 -5.7187 -5.5592 PRESSURE: 14200 -129.703 -69.7969 -14.7075 -69.7969 -190.924 -94.2556 -14.7076 -94.2548 -261.993 GPRESSURE: 14200 -168.006 -79.8275 94.8241 -178.269 -63.8217 59.9301 18.6191 -68.5469 -263.961 PRESSAVG: 14200 33.4277 -29.1234 1.87024 -29.1235 -51.9594 31.2901 1.87017 31.2901 35.6304 GPRESSAVG: 14200 32.7991 -30.1943 1.0647 -31.0886 -51.5998 32.0166 3.08446 30.0115 35.8484 TIMING: 14200 CPU: 44.2299, 0.00309724/step Wall: 44.2299, 0.00309724/step, 4.28951 hours remaining, 222.089844 MB of memory in use. ENERGY: 14200 3957.7108 20481.0407 14619.2212 270.0689 -203281.3735 3292.7532 0.0000 0.0000 51576.8868 -109083.6919 296.4131 -160660.5787 -108733.4975 297.2802 -194.2067 -165.2629 767722.5894 5.6996 5.6826 PRESSURE: 14400 -238.589 -161.239 353.639 -161.239 -251.394 -87.4463 353.638 -87.4457 -497.845 GPRESSURE: 14400 -183.27 -183.019 347.906 -8.62875 -250.823 -71.3675 330.194 -49.2276 -475.78 PRESSAVG: 14400 0.740124 -31.2021 15.0941 -31.2021 0.375702 -23.1894 15.0941 -23.1894 -9.47579 GPRESSAVG: 14400 0.848423 -31.7237 12.6717 -29.4488 0.98525 -24.9522 16.7993 -20.9357 -10.0063 TIMING: 14400 CPU: 44.8517, 0.00310904/step Wall: 44.8517, 0.00310904/step, 4.30567 hours remaining, 222.089844 MB of memory in use. ENERGY: 14400 4027.2924 20461.5101 14600.7012 232.0931 -202895.3089 2834.6515 0.0000 0.0000 51637.4965 -109101.5642 296.7614 -160739.0607 -108747.5854 297.8492 -329.2758 -303.2910 768604.1668 -2.7867 -2.7242 PRESSURE: 14600 -226.646 -74.394 -191.457 -74.394 -305.893 -113.534 -191.458 -113.534 391.081 GPRESSURE: 14600 -161.322 -60.551 -68.7859 -146.79 -258.385 -141.306 -165.389 -28.11 361.405 PRESSAVG: 14600 31.807 5.30992 18.1077 5.30998 47.3903 31.6516 18.1077 31.6516 -13.542 GPRESSAVG: 14600 33.4707 5.26293 21.3429 4.14991 45.1496 32.7844 16.7613 31.1216 -12.952 TIMING: 14600 CPU: 45.4717, 0.0031001/step Wall: 45.4717, 0.0031001/step, 4.29312 hours remaining, 222.089844 MB of memory in use. ENERGY: 14600 3939.9553 20374.6536 14648.6377 253.6381 -203195.2288 3124.3983 0.0000 0.0000 51878.3399 -108975.6058 298.1455 -160853.9458 -108609.5086 297.2215 -47.1524 -19.4343 767270.7600 21.8851 21.8894 PRESSURE: 14800 336.713 -189.846 105.561 -189.847 506.133 189.636 105.561 189.635 328.106 GPRESSURE: 14800 410.539 -141.674 39.2038 -5.56039 472.009 189.236 20.9889 82.9138 353.503 PRESSAVG: 14800 25.3895 37.5685 -4.44719 37.5684 30.0873 -27.024 -4.44717 -27.0239 16.0801 GPRESSAVG: 14800 25.1173 38.5866 -6.12 37.6504 30.9302 -25.4399 -4.12832 -27.5162 15.6573 TIMING: 14800 CPU: 46.0922, 0.00310245/step Wall: 46.0922, 0.00310245/step, 4.29621 hours remaining, 222.089844 MB of memory in use. ENERGY: 14800 4001.1782 20471.5984 14597.2720 243.4504 -202942.4246 3117.2780 0.0000 0.0000 51721.4108 -108790.2367 297.2437 -160511.6476 -108434.9473 298.5061 390.3171 412.0171 766632.7197 23.8523 23.9016 PRESSURE: 15000 3.59479 -48.4794 -110.24 -48.4795 193.169 89.2105 -110.24 89.211 23.0496 GPRESSURE: 15000 146.957 -71.4023 -145.249 74.0482 129.679 138.318 -69.057 55.9502 22.1274 PRESSAVG: 15000 29.312 19.2355 11.1433 19.2356 -19.2943 46.5415 11.1433 46.5415 -13.0633 GPRESSAVG: 15000 27.262 20.7509 10.6597 18.7348 -18.3442 44.2099 9.7749 46.6054 -12.3347 TIMING: 15000 CPU: 46.7147, 0.00311238/step Wall: 46.7147, 0.00311238/step, 4.30978 hours remaining, 222.089844 MB of memory in use. ENERGY: 15000 3920.5884 20530.1180 14586.5097 229.2739 -203556.1275 3431.9326 0.0000 0.0000 51976.5792 -108881.1257 298.7101 -160857.7049 -108528.1029 298.2426 73.2712 99.5879 767090.5265 -1.0152 -1.1390 PRESSURE: 15200 -526.987 26.5264 192.76 26.5268 -33.4774 -324.955 192.762 -324.955 -230.553 GPRESSURE: 15200 -449.737 86.7974 154.529 -0.403742 -85.791 -250.292 224.005 -283.704 -176.119 PRESSAVG: 15200 -1.94563 17.261 -36.2341 17.261 28.1086 32.6379 -36.2341 32.6378 22.8385 GPRESSAVG: 15200 -0.894257 15.5958 -35.1942 16.8056 27.6095 32.5559 -35.5251 31.71 23.0947 TIMING: 15200 CPU: 47.3369, 0.00311119/step Wall: 47.3369, 0.00311119/step, 4.30796 hours remaining, 222.089844 MB of memory in use. ENERGY: 15200 4018.4081 20530.3888 14525.6489 255.1264 -203527.3230 2904.9101 0.0000 0.0000 52372.6731 -108920.1675 300.9865 -161292.8406 -108553.4407 298.7600 -263.6727 -237.2157 766188.0353 16.3338 16.6033 PRESSURE: 15400 398.531 -64.528 105.215 -64.5282 -189.114 129.232 105.214 129.232 127.536 GPRESSURE: 15400 428.173 -1.52575 61.7363 -105.28 -37.7608 82.1504 115.166 88.9811 26.8695 PRESSAVG: 15400 -6.81559 20.7068 45.9313 20.7068 55.1311 -34.8588 45.9313 -34.8588 25.3766 GPRESSAVG: 15400 -6.12981 22.334 46.136 20.1674 55.2892 -34.9397 45.8664 -33.1867 24.8869 TIMING: 15400 CPU: 47.9604, 0.00311759/step Wall: 47.9604, 0.00311759/step, 4.31665 hours remaining, 222.089844 MB of memory in use. ENERGY: 15400 3944.0501 20525.4010 14566.5283 263.4988 -203081.3846 3004.1306 0.0000 0.0000 52059.7369 -108718.0388 299.1880 -160777.7757 -108370.6478 299.3451 112.3175 139.0940 766081.7135 24.5640 24.6821 PRESSURE: 15600 -262.777 162.332 -133.735 162.331 -220.002 -182.867 -133.736 -182.867 -225.786 GPRESSURE: 15600 -222.118 52.0741 -137.608 95.5983 -179.812 -222.913 -110.75 -126.924 -235.604 PRESSAVG: 15600 -29.6959 -22.6451 -19.8051 -22.6451 17.3829 -79.3407 -19.8051 -79.3407 -12.5225 GPRESSAVG: 15600 -29.6537 -23.1448 -19.4361 -21.2864 18.8858 -79.3547 -20.5326 -80.3135 -13.9737 TIMING: 15600 CPU: 48.5804, 0.00309998/step Wall: 48.5804, 0.00309998/step, 4.2921 hours remaining, 222.089844 MB of memory in use. ENERGY: 15600 3942.6819 20528.7774 14536.5587 245.2668 -203092.2816 2963.9282 0.0000 0.0000 51957.0518 -108918.0168 298.5979 -160875.0686 -108554.3864 298.8868 -236.1885 -212.5115 766930.7113 -8.2785 -8.2472 PRESSURE: 15800 278.195 -118.101 -132.898 -118.101 50.1503 273.161 -132.897 273.16 -87.6968 GPRESSURE: 15800 238.882 -85.5378 -241.025 -93.2893 70.9046 209.569 -68.5851 215.194 19.6996 PRESSAVG: 15800 26.7384 -1.30304 30.2692 -1.30308 1.40715 -37.4185 30.2692 -37.4186 -2.66901 GPRESSAVG: 15800 24.3755 -2.86751 29.555 -1.22908 0.501914 -36.9198 29.9683 -38.9378 0.3454 TIMING: 15800 CPU: 49.1978, 0.0030868/step Wall: 49.1978, 0.0030868/step, 4.27367 hours remaining, 222.089844 MB of memory in use. ENERGY: 15800 4004.8310 20443.8788 14561.0104 246.9938 -203168.0584 3102.1146 0.0000 0.0000 52139.2833 -108669.9465 299.6452 -160809.2298 -108306.3557 298.4507 80.2160 109.8287 764448.0921 8.4922 8.4076 PRESSURE: 16000 -135.43 100.715 159.019 100.715 -55.5061 -13.7758 159.019 -13.7758 -232.574 GPRESSURE: 16000 2.55225 154.167 166.843 103.952 -35.6815 -82.2785 107.907 -67.5384 -300.431 PRESSAVG: 16000 -88.0101 -4.1156 13.0274 -4.11566 61.0918 -0.873699 13.0275 -0.873725 -2.4894 GPRESSAVG: 16000 -85.6808 -3.12248 12.942 -4.04229 61.9817 0.233558 13.7352 -0.520864 -5.2056 TIMING: 16000 CPU: 49.8173, 0.00309749/step Wall: 49.8173, 0.00309749/step, 4.2883 hours remaining, 222.089844 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: 16000 3920.2710 20547.3029 14557.3456 235.1175 -202804.1518 2892.7692 0.0000 0.0000 51919.8950 -108731.4506 298.3844 -160651.3456 -108370.2353 298.4349 -141.1701 -111.1868 765109.5103 -9.8026 -9.6349 PRESSURE: 16200 -39.9014 -267.096 133.475 -267.096 -141.113 164.989 133.475 164.989 36.919 GPRESSURE: 16200 -37.7398 -269.478 113.064 -286.405 -138.249 181.06 137.734 106.24 94.5283 PRESSAVG: 16200 -29.4417 0.265283 27.4737 0.265284 29.1539 44.0181 27.4738 44.0181 -28.8638 GPRESSAVG: 16200 -29.9076 -0.455233 27.5417 0.130957 27.7729 43.2593 27.8018 42.9517 -27.9332 TIMING: 16200 CPU: 50.4389, 0.00310818/step Wall: 50.4389, 0.00310818/step, 4.30293 hours remaining, 222.089844 MB of memory in use. ENERGY: 16200 4028.7440 20483.7396 14614.3306 270.8175 -203277.3072 3234.0091 0.0000 0.0000 51937.8735 -108707.7929 298.4877 -160645.6664 -108344.9409 298.7109 -48.0317 -27.1535 765961.1336 -9.7172 -10.0226 LDB: ============= START OF LOAD BALANCING ============== 62.9161 LDB: ============== END OF LOAD BALANCING =============== 62.9163 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 62.9179 LDB: ============= START OF LOAD BALANCING ============== 63.2279 LDB: Largest compute 6987 load 0.028342 is 14.6% of average load 0.193925 LDB: Average compute 0.004361 is 2.2% of average load 0.193925 LDB: TIME 63.2312 LOAD: AVG 0.193925 MAX 0.216225 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 221.812 MB LDB: TIME 63.2316 LOAD: AVG 0.193925 MAX 0.216225 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 221.836 MB LDB: TIME 63.2317 LOAD: AVG 0.193925 MAX 0.216225 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 221.836 MB LDB: ============== END OF LOAD BALANCING =============== 63.2335 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 63.2384 PRESSURE: 16400 -450.926 -108.165 117.078 -108.165 -155.687 -88.7391 117.078 -88.7396 -143.128 GPRESSURE: 16400 -494.462 -125.02 159.865 -202.609 -90.0815 -119.037 -10.401 -99.4377 -93.5013 PRESSAVG: 16400 2.4028 -45.1632 25.499 -45.1631 -31.6743 11.2815 25.4991 11.2816 12.0931 GPRESSAVG: 16400 2.669 -43.655 25.9368 -45.4934 -32.3279 10.7074 23.8023 12.3252 12.5813 TIMING: 16400 CPU: 51.0726, 0.00316816/step Wall: 51.0726, 0.00316816/step, 4.38578 hours remaining, 222.605469 MB of memory in use. ENERGY: 16400 4016.7947 20355.2271 14595.7246 249.0316 -202894.8137 2924.0595 0.0000 0.0000 51769.2626 -108984.7136 297.5187 -160753.9761 -108627.5665 298.5137 -249.9135 -226.0148 765615.0842 -5.7261 -5.6925 PRESSURE: 16600 -12.827 -232.297 -131.087 -232.296 63.5506 96.4767 -131.086 96.4767 291.948 GPRESSURE: 16600 -10.8473 -232.535 -111.095 -208.354 213.366 54.7099 -31.4353 101.191 220.376 PRESSAVG: 16600 -31.3402 -2.70496 39.3303 -2.70501 47.1933 -37.398 39.3302 -37.398 20.926 GPRESSAVG: 16600 -30.8869 -3.73909 40.5596 -1.56451 47.9902 -37.4695 39.0422 -35.3111 19.444 TIMING: 16600 CPU: 51.6969, 0.0031216/step Wall: 51.6969, 0.0031216/step, 4.32116 hours remaining, 222.675781 MB of memory in use. ENERGY: 16600 3985.5402 20278.9197 14610.4607 262.5015 -202805.3012 2925.3597 0.0000 0.0000 51788.5353 -108953.9842 297.6294 -160742.5195 -108584.8038 297.9727 114.2239 140.9648 764238.9490 12.2597 12.1824 PRESSURE: 16800 323.121 -184.425 78.9583 -184.425 -54.5039 11.3123 78.9582 11.3118 -91.4949 GPRESSURE: 16800 322.67 -129.468 75.4319 -136.368 -8.70083 7.50642 32.2356 -112.307 -43.0278 PRESSAVG: 16800 -48.2133 10.9638 -9.95925 10.9638 48.5587 -45.2746 -9.95926 -45.2745 -11.8617 GPRESSAVG: 16800 -47.7909 11.2341 -10.7742 10.2744 48.3224 -45.3117 -10.801 -46.4748 -11.5228 TIMING: 16800 CPU: 52.3142, 0.00308651/step Wall: 52.3142, 0.00308651/step, 4.27241 hours remaining, 222.746094 MB of memory in use. ENERGY: 16800 3976.8777 20549.5650 14573.9850 256.4064 -203464.5814 3503.2372 0.0000 0.0000 51751.3476 -108853.1626 297.4157 -160604.5102 -108496.3718 298.5397 59.0406 90.3139 765655.5651 -3.8388 -3.6638 PRESSURE: 17000 21.1935 -53.7597 -210.834 -53.7594 -166.575 48.0008 -210.833 48.0014 112.999 GPRESSURE: 17000 73.6855 45.5333 -152.596 -86.1284 -206.356 -73.9046 -230.593 185.288 152.516 PRESSAVG: 17000 -11.9631 -25.5714 4.27451 -25.5714 -10.8363 9.68128 4.27453 9.68126 -5.53975 GPRESSAVG: 17000 -12.7934 -24.5152 2.96687 -25.3772 -9.85892 8.56875 6.78402 9.79938 -6.1094 TIMING: 17000 CPU: 52.9347, 0.00310252/step Wall: 52.9347, 0.00310252/step, 4.29441 hours remaining, 222.746094 MB of memory in use. ENERGY: 17000 4009.3114 20367.0672 14603.3187 241.1221 -203118.7383 3095.1186 0.0000 0.0000 52121.9776 -108680.8226 299.5457 -160802.8003 -108316.4294 299.1543 -10.7942 6.6152 767236.4061 -9.4464 -9.5872 PRESSURE: 17200 -280.205 -37.9538 124.484 -37.9549 -434.854 -24.4611 124.484 -24.4606 -413.689 GPRESSURE: 17200 -250.527 -26.5685 7.81284 -26.5394 -405.309 -5.78333 143.99 -41.0834 -398.477 PRESSAVG: 17200 35.5203 -15.8007 0.748042 -15.8007 -23.9949 0.620099 0.748076 0.6201 -6.06745 GPRESSAVG: 17200 35.542 -17.3309 -0.358997 -16.3061 -24.3473 0.117705 1.35596 3.24564 -5.37613 TIMING: 17200 CPU: 53.5548, 0.00310061/step Wall: 53.5548, 0.00310061/step, 4.29158 hours remaining, 222.746094 MB of memory in use. ENERGY: 17200 3993.5726 20551.0744 14603.4271 258.0360 -202986.5781 3118.7122 0.0000 0.0000 51861.5465 -108600.2092 298.0490 -160461.7557 -108237.8543 299.4466 -376.2493 -351.4376 766786.0949 1.8193 1.9395 PRESSURE: 17400 98.1978 343.267 91.0101 343.268 193.276 19.182 91.0103 19.1812 59.8654 GPRESSURE: 17400 101.867 353.118 159.843 353.267 241.819 73.3816 201.942 -70.6796 84.2453 PRESSAVG: 17400 30.1278 42.0609 36.2225 42.061 2.21997 -13.1875 36.2225 -13.1875 10.8518 GPRESSAVG: 17400 30.5736 42.0929 37.6961 43.2687 1.44074 -11.3059 33.9668 -16.6964 11.1079 TIMING: 17400 CPU: 54.1746, 0.00309881/step Wall: 54.1746, 0.00309881/step, 4.28892 hours remaining, 222.746094 MB of memory in use. ENERGY: 17400 4081.0657 20487.1484 14582.5578 237.9849 -203077.1005 3210.0796 0.0000 0.0000 51906.1632 -108572.1009 298.3054 -160478.2641 -108216.8122 299.0448 117.1131 142.6436 764894.0151 14.3999 14.3741 PRESSURE: 17600 -363.591 1.88887 172.403 1.88812 -150.175 -104.103 172.403 -104.103 121.367 GPRESSURE: 17600 -307.706 7.68073 135.087 -57.5051 -97.7906 -167.332 296.241 -46.016 86.9246 PRESSAVG: 17600 34.6279 18.9686 30.4875 18.9685 -10.4523 -85.3561 30.4875 -85.356 2.73396 GPRESSAVG: 17600 33.8147 20.0066 30.3042 18.8011 -9.75216 -84.3983 31.7916 -86.0329 3.19939 TIMING: 17600 CPU: 54.7952, 0.00310326/step Wall: 54.7952, 0.00310326/step, 4.29491 hours remaining, 222.746094 MB of memory in use. ENERGY: 17600 3975.4513 20513.4698 14650.8422 260.2999 -202536.7020 2546.7017 0.0000 0.0000 51905.1102 -108684.8269 298.2994 -160589.9371 -108319.6609 299.1378 -130.7997 -106.1906 765487.0024 8.9698 9.0873 PRESSURE: 17800 -255.417 -92.0766 14.4781 -92.0772 -189.845 37.9908 14.4787 37.9903 -36.5102 GPRESSURE: 17800 -198.655 -68.5118 30.6183 -45.0566 -182.628 17.0914 -24.4867 110.719 -32.959 PRESSAVG: 17800 16.257 -4.04532 35.5182 -4.04529 -35.7567 -34.6332 35.5181 -34.6332 -8.75223 GPRESSAVG: 17800 16.9463 -5.12398 35.6355 -3.99038 -36.532 -36.0124 34.862 -32.7182 -9.29381 TIMING: 17800 CPU: 55.4131, 0.00308938/step Wall: 55.4131, 0.00308938/step, 4.27553 hours remaining, 222.746094 MB of memory in use. ENERGY: 17800 3996.9763 20489.5637 14602.5463 236.6636 -203166.1717 3080.8566 0.0000 0.0000 52219.1624 -108540.4026 300.1042 -160759.5651 -108165.3062 299.0727 -160.5909 -138.0808 765521.5561 -9.4173 -9.6265 PRESSURE: 18000 21.0225 191.878 -49.8796 191.877 -489.28 136.107 -49.8798 136.108 133.214 GPRESSURE: 18000 -25.2624 179.355 -79.4573 189.714 -372.219 202.521 -9.55546 -27.8869 141.327 PRESSAVG: 18000 54.3818 -34.1078 7.82164 -34.1077 -18.6259 -12.9142 7.82165 -12.9141 11.8186 GPRESSAVG: 18000 52.4802 -34.5844 7.53967 -33.8944 -17.7871 -11.9306 9.019 -14.5856 12.8735 TIMING: 18000 CPU: 56.0359, 0.00311387/step Wall: 56.0359, 0.00311387/step, 4.30926 hours remaining, 222.746094 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: 18000 3969.6615 20621.0574 14616.3111 248.0779 -202817.4609 2695.4168 0.0000 0.0000 52223.0585 -108443.8778 300.1266 -160666.9363 -108085.5633 299.4869 -111.6812 -85.3847 765556.3126 15.8582 15.8556 PRESSURE: 18200 140.65 -57.3293 105.891 -57.3291 85.7572 -102.733 105.891 -102.734 -64.2146 GPRESSURE: 18200 202.572 105.059 122.618 -44.9703 45.1477 -49.8667 40.3136 -28.4697 -6.06682 PRESSAVG: 18200 9.4997 -48.051 -13.829 -48.051 15.6893 9.71322 -13.8289 9.71331 -20.4057 GPRESSAVG: 18200 10.6688 -46.3846 -13.7033 -48.009 15.1456 10.9232 -15.1105 11.8663 -20.3696 TIMING: 18200 CPU: 56.6576, 0.00310843/step Wall: 56.6576, 0.00310843/step, 4.30155 hours remaining, 222.746094 MB of memory in use. ENERGY: 18200 3993.5339 20427.6501 14542.4554 247.3068 -202887.1298 2912.0348 0.0000 0.0000 52195.3347 -108568.8141 299.9673 -160764.1488 -108208.4921 299.4925 54.0642 80.5510 766586.1426 1.5944 1.8149 PRESSURE: 18400 168.435 109.539 133.089 109.539 73.2113 87.382 133.089 87.3827 -223.601 GPRESSURE: 18400 222.91 88.4003 139.289 28.1502 86.4358 123.915 61.6366 -144.885 -224.006 PRESSAVG: 18400 28.0302 18.4748 11.8036 18.4747 -14.7281 2.30436 11.8036 2.30431 16.3257 GPRESSAVG: 18400 28.3311 16.8928 11.9292 17.6764 -14.0688 -0.33781 11.198 0.936268 14.9586 TIMING: 18400 CPU: 57.279, 0.00310733/step Wall: 57.279, 0.00310733/step, 4.29985 hours remaining, 222.746094 MB of memory in use. ENERGY: 18400 3967.5382 20465.4340 14602.6824 241.5181 -202998.4687 2982.8974 0.0000 0.0000 52279.5906 -108458.8079 300.4515 -160738.3985 -108085.6555 299.7364 6.0151 28.4466 765903.1314 9.8759 9.7403 PRESSURE: 18600 -43.0532 11.8492 -96.4127 11.8487 -0.139615 104.778 -96.4132 104.777 125.216 GPRESSURE: 18600 1.75922 34.6489 -87.9074 24.0314 -15.9348 -36.4883 -167.611 174.832 182.227 PRESSAVG: 18600 0.355363 21.1836 -2.72207 21.1836 -38.3347 6.43413 -2.72201 6.43409 -2.3174 GPRESSAVG: 18600 -0.523694 22.2605 -2.85483 22.2252 -38.2764 6.45502 -2.57778 7.30799 -1.40591 TIMING: 18600 CPU: 57.901, 0.00310992/step Wall: 57.901, 0.00310992/step, 4.30327 hours remaining, 222.746094 MB of memory in use. ENERGY: 18600 4019.0471 20491.5853 14529.8167 269.9623 -202670.6260 2886.9711 0.0000 0.0000 51955.4832 -108517.7603 298.5889 -160473.2435 -108153.8792 299.3936 27.3411 56.0173 766162.2748 -13.4323 -13.4020 PRESSURE: 18800 150.392 121.124 -123.525 121.124 19.2448 -42.0536 -123.525 -42.0539 65.14 GPRESSURE: 18800 189.335 181.825 -170.059 113.431 88.8226 -81.0878 11.1041 120.169 40.8309 PRESSAVG: 18800 -45.7381 22.269 -40.4373 22.269 41.554 41.2711 -40.4373 41.271 -22.2478 GPRESSAVG: 18800 -44.2785 21.3032 -40.1847 23.1448 42.8914 42.7802 -41.298 40.4571 -24.3866 TIMING: 18800 CPU: 58.5226, 0.00310803/step Wall: 58.5226, 0.00310803/step, 4.30048 hours remaining, 222.746094 MB of memory in use. ENERGY: 18800 4051.0594 20485.2103 14487.8473 232.8444 -202406.8020 2810.7082 0.0000 0.0000 51611.6587 -108727.4738 296.6129 -160339.1325 -108366.4588 298.6545 78.2590 106.3293 766844.5873 -8.8107 -8.5912 PRESSURE: 19000 239.996 126.509 -36.4022 126.509 -148.476 -70.6716 -36.4023 -70.6703 73.6972 GPRESSURE: 19000 261.922 40.0344 -3.54823 89.0403 -107.288 -20.5367 -168.338 5.25789 96.7003 PRESSAVG: 19000 31.273 36.96 -40.6681 36.96 17.3046 15.911 -40.6682 15.9109 -3.09415 GPRESSAVG: 19000 31.8676 38.494 -40.867 34.7837 14.3819 16.3402 -38.7343 17.0475 -0.467009 TIMING: 19000 CPU: 59.1437, 0.00310515/step Wall: 59.1437, 0.00310515/step, 4.29633 hours remaining, 222.746094 MB of memory in use. ENERGY: 19000 3938.0769 20507.2033 14517.6593 242.2476 -202834.5846 2864.9869 0.0000 0.0000 52008.7954 -108755.6152 298.8953 -160764.4105 -108401.8733 298.6061 55.0723 83.7783 765722.4816 15.1612 15.2608 PRESSURE: 19200 98.744 -32.5448 -80.9709 -32.5443 -44.5797 -42.0628 -80.9708 -42.0619 40.6587 GPRESSURE: 19200 183 3.36931 -85.0833 -126.133 -42.6708 -78.6721 -117.123 -118.81 50.9213 PRESSAVG: 19200 -35.8313 28.9945 -29.8886 28.9945 27.5619 -33.2995 -29.8886 -33.2995 1.71366 GPRESSAVG: 19200 -35.9049 30.1428 -31.0236 29.2565 27.1079 -34.1837 -29.0668 -33.1567 2.05141 TIMING: 19200 CPU: 59.7693, 0.0031281/step Wall: 59.7693, 0.0031281/step, 4.3279 hours remaining, 222.746094 MB of memory in use. ENERGY: 19200 4022.5880 20367.4633 14507.0318 232.3458 -203007.4539 3008.3286 0.0000 0.0000 52162.2440 -108707.4524 299.7771 -160869.6964 -108346.2541 298.5970 31.6077 63.7503 765738.2725 -2.1852 -2.2485 PRESSURE: 19400 67.8119 95.2325 6.17065 95.2323 -54.6115 5.51808 6.17069 5.51792 -31.2843 GPRESSURE: 19400 228.329 90.9458 84.4863 190.522 -136.73 -12.9707 85.9621 28.8749 -30.5287 PRESSAVG: 19400 2.5993 12.7778 -26.9288 12.7778 1.40561 -28.0091 -26.9288 -28.0091 -10.0664 GPRESSAVG: 19400 1.63068 12.3054 -23.8774 14.7748 3.25354 -27.9689 -27.812 -27.8599 -10.8409 TIMING: 19400 CPU: 60.3908, 0.00310757/step Wall: 60.3908, 0.00310757/step, 4.29932 hours remaining, 222.746094 MB of memory in use. ENERGY: 19400 3993.9541 20360.9458 14534.3405 255.6559 -202905.7010 2908.6424 0.0000 0.0000 52187.8519 -108664.3104 299.9243 -160852.1623 -108315.8475 299.0605 -6.0280 20.3567 767234.1623 -2.0205 -1.9855 PRESSURE: 19600 -39.4598 23.2962 -153.178 23.2959 -113.869 -59.6682 -153.177 -59.6697 57.5603 GPRESSURE: 19600 -51.113 33.783 -72.1463 30.9872 -54.3977 -71.1464 -26.6094 -63.7187 78.6211 PRESSAVG: 19600 40.1426 -46.6324 -32.2752 -46.6323 -71.2625 -51.7713 -32.2752 -51.7714 -6.49751 GPRESSAVG: 19600 39.9341 -45.7521 -32.9725 -45.8265 -72.6548 -51.0294 -33.7869 -52.001 -4.90826 TIMING: 19600 CPU: 61.0137, 0.00311437/step Wall: 61.0137, 0.00311437/step, 4.30855 hours remaining, 222.734375 MB of memory in use. ENERGY: 19600 4028.2845 20433.3142 14569.4971 251.4611 -202980.7961 3070.8400 0.0000 0.0000 52111.2986 -108516.1005 299.4843 -160627.3991 -108157.6552 299.5806 -31.9227 -8.9632 765929.1195 -12.5392 -12.5430 PRESSURE: 19800 -82.6694 -132.126 -168.038 -132.127 -272.224 -116.604 -168.037 -116.604 -24.0247 GPRESSURE: 19800 24.5005 -156.225 -155.946 5.04279 -273.497 -194.308 -232.649 -101.069 -35.711 PRESSAVG: 19800 -39.9717 -26.36 17.2865 -26.36 -26.4488 -4.99505 17.2865 -4.99499 -9.73245 GPRESSAVG: 19800 -39.0668 -26.944 14.5228 -27.9858 -25.116 -6.13224 17.6482 -9.33799 -11.8064 TIMING: 19800 CPU: 61.6398, 0.00313048/step Wall: 61.6398, 0.00313048/step, 4.33067 hours remaining, 222.746094 MB of memory in use. ENERGY: 19800 3942.7653 20392.4395 14605.5239 265.2280 -202650.1008 2852.1397 0.0000 0.0000 52032.7539 -108559.2505 299.0330 -160592.0044 -108197.6261 298.9852 -126.3059 -94.9027 766881.6659 -25.3843 -25.3298 PRESSURE: 20000 48.957 -121.543 72.8367 -121.543 -293.64 -263.889 72.8362 -263.889 -267.327 GPRESSURE: 20000 122.994 -47.2534 64.7104 -2.2558 -320.585 -265.64 42.1865 -73.561 -217.831 PRESSAVG: 20000 54.4842 27.8957 -11.4385 27.8957 -103.248 -31.3268 -11.4386 -31.3268 18.3088 GPRESSAVG: 20000 54.9966 26.9078 -10.1023 28.7831 -104.528 -32.0228 -10.3985 -25.4402 19.0346 TIMING: 20000 CPU: 62.2642, 0.00312199/step Wall: 62.2642, 0.00312199/step, 4.31875 hours remaining, 222.746094 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: 20000 4072.0308 20302.3276 14599.2743 268.4111 -202958.1163 3035.0830 0.0000 0.0000 52202.8986 -108478.0910 300.0108 -160680.9896 -108112.7839 298.7054 -170.6699 -138.4743 766447.0204 -10.1517 -10.1657 PRESSURE: 20200 -248.624 357.869 -272.615 357.868 -381.612 -192.438 -272.615 -192.438 -200.718 GPRESSURE: 20200 -223.999 424.673 -203.911 291.166 -376.917 -142.391 -221.042 -104.308 -148.64 PRESSAVG: 20200 84.8206 40.2911 -40.7833 40.2911 -58.5963 0.0267341 -40.7833 0.0267375 0.499759 GPRESSAVG: 20200 84.0699 40.0558 -40.9667 41.8511 -58.4064 0.109667 -41.6005 0.324089 1.19503 TIMING: 20200 CPU: 62.8922, 0.00314047/step Wall: 62.8922, 0.00314047/step, 4.34414 hours remaining, 222.746094 MB of memory in use. ENERGY: 20200 4024.6017 20546.6300 14611.0745 237.9773 -202351.4023 2591.2416 0.0000 0.0000 52040.0128 -108299.8644 299.0747 -160339.8772 -107939.0237 299.3009 -276.9847 -249.8521 768005.9632 8.9080 8.9529 LDB: ============= START OF LOAD BALANCING ============== 75.3711 LDB: ============== END OF LOAD BALANCING =============== 75.3712 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 75.3732 LDB: ============= START OF LOAD BALANCING ============== 75.6837 LDB: Largest compute 7010 load 0.030473 is 15.7% of average load 0.193948 LDB: Average compute 0.004353 is 2.2% of average load 0.193948 LDB: TIME 75.6873 LOAD: AVG 0.193948 MAX 0.217026 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 221.332 MB LDB: TIME 75.6878 LOAD: AVG 0.193948 MAX 0.217026 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 221.469 MB LDB: TIME 75.6879 LOAD: AVG 0.193948 MAX 0.215035 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 221.469 MB LDB: ============== END OF LOAD BALANCING =============== 75.6898 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 75.6947 PRESSURE: 20400 391.782 186.496 -77.022 186.496 313.449 277.96 -77.0218 277.961 25.4876 GPRESSURE: 20400 372.685 250.433 -36.5589 198.024 247.076 231.363 -3.57499 165.83 185.813 PRESSAVG: 20400 21.5178 36.3637 21.6409 36.3638 -42.5195 -7.98906 21.6409 -7.98907 -15.0441 GPRESSAVG: 20400 21.9286 36.492 22.5643 33.2885 -43.0152 -6.13431 21.2769 -12.5689 -15.1129 TIMING: 20400 CPU: 63.5287, 0.0031822/step Wall: 63.5287, 0.0031822/step, 4.40169 hours remaining, 222.875000 MB of memory in use. ENERGY: 20400 3993.2659 20447.3748 14597.2387 245.6046 -202891.7637 3133.5605 0.0000 0.0000 52230.7828 -108243.9364 300.1710 -160474.7192 -107879.8229 299.1074 243.5729 268.5247 766350.1795 -12.0153 -12.0665 PRESSURE: 20600 18.9358 -91.6436 10.0425 -91.6433 228.514 191.415 10.0424 191.416 50.7994 GPRESSURE: 20600 7.83082 -143.69 -11.0642 -66.8557 281.962 279.98 -87.2376 166.767 74.7833 PRESSAVG: 20600 37.5696 54.0946 -15.5864 54.0946 -49.8739 39.1764 -15.5863 39.1764 15.7069 GPRESSAVG: 20600 36.2743 54.4048 -14.8936 54.9816 -47.8724 37.6818 -14.5647 41.1779 15.1916 TIMING: 20600 CPU: 64.1503, 0.00310793/step Wall: 64.1503, 0.00310793/step, 4.29878 hours remaining, 223.277344 MB of memory in use. ENERGY: 20600 3978.4516 20468.0423 14598.2929 237.5819 -202864.4940 3100.0289 0.0000 0.0000 52328.2757 -108153.8207 300.7313 -160482.0964 -107783.0368 299.7519 99.4165 121.5253 766294.2599 1.1342 1.1978 PRESSURE: 20800 -213.298 219.096 114.797 219.096 111.6 -117.853 114.797 -117.853 -240.946 GPRESSURE: 20800 -119.014 172.024 127.084 176.11 138.197 -120.49 61.672 -163.305 -261.03 PRESSAVG: 20800 0.0811577 40.7831 -17.7038 40.7832 -24.2851 17.6704 -17.7039 17.6705 -16.217 GPRESSAVG: 20800 -0.431967 41.6409 -19.3809 42.1964 -24.3896 18.1417 -19.7785 17.0477 -15.2431 TIMING: 20800 CPU: 64.7754, 0.0031256/step Wall: 64.7754, 0.0031256/step, 4.32306 hours remaining, 223.277344 MB of memory in use. ENERGY: 20800 3946.8834 20482.1621 14626.3506 239.5010 -202877.6735 3128.1247 0.0000 0.0000 52199.7462 -108254.9054 299.9927 -160454.6516 -107889.7870 299.8887 -114.2149 -80.6157 766872.2158 -13.4737 -13.3549 PRESSURE: 21000 -28.6365 64.4379 49.4831 64.4383 -22.1762 -123.159 49.4835 -123.159 -43.4425 GPRESSURE: 21000 -59.5281 -43.4615 58.8964 54.4823 29.3467 -52.6797 73.5027 -81.578 5.48807 PRESSAVG: 21000 16.6798 -7.6115 -1.41401 -7.61155 1.12418 21.3927 -1.41399 21.3927 18.7684 GPRESSAVG: 21000 17.9309 -9.41828 -0.947639 -7.41969 0.0500228 21.96 -0.0828382 20.5123 18.1109 TIMING: 21000 CPU: 65.3996, 0.00312124/step Wall: 65.3996, 0.00312124/step, 4.31684 hours remaining, 223.277344 MB of memory in use. ENERGY: 21000 4056.8879 20595.4435 14616.7962 245.4810 -202712.0030 2662.1841 0.0000 0.0000 52082.0835 -108453.1268 299.3164 -160535.2103 -108109.6459 299.5120 -31.4184 -8.2311 766389.1854 12.1908 12.0306 PRESSURE: 21200 217.477 105.216 -32.8295 105.216 160.503 118.09 -32.8292 118.089 295.91 GPRESSURE: 21200 262.723 132.894 32.1929 33.9599 253.868 33.7262 30.2937 7.93262 233.594 PRESSAVG: 21200 67.7652 21.6308 25.6099 21.6308 -56.5079 -1.77899 25.6099 -1.77908 -7.08306 GPRESSAVG: 21200 67.3708 23.0261 25.0757 20.9109 -56.3167 -2.48055 27.3937 -0.0532134 -6.81093 TIMING: 21200 CPU: 66.0247, 0.00312548/step Wall: 66.0247, 0.00312548/step, 4.32253 hours remaining, 223.277344 MB of memory in use. ENERGY: 21200 4005.9066 20509.3523 14527.2210 260.3250 -202800.9856 2990.9824 0.0000 0.0000 52150.8706 -108356.3277 299.7118 -160507.1983 -107991.2138 299.2116 224.6298 250.0616 764822.3077 1.3914 1.4144 PRESSURE: 21400 -308.67 -260.494 -20.0491 -260.494 -40.8604 -113.425 -20.0491 -113.425 -75.4057 GPRESSURE: 21400 -308.315 -304.636 -59.8041 -246.219 -10.6342 -81.3692 -7.36164 -44.1693 -45.7509 PRESSAVG: 21400 51.7058 19.6218 -28.803 19.6217 -2.03838 -42.9252 -28.803 -42.9252 43.4576 GPRESSAVG: 21400 51.7179 19.5523 -27.597 18.429 -0.479203 -42.784 -30.8136 -43.9211 42.2704 TIMING: 21400 CPU: 66.6492, 0.0031225/step Wall: 66.6492, 0.0031225/step, 4.31824 hours remaining, 223.261719 MB of memory in use. ENERGY: 21400 3987.5964 20595.7469 14553.5861 252.8955 -202885.1725 2985.6097 0.0000 0.0000 52110.9202 -108398.8177 299.4822 -160509.7379 -108030.2009 299.6773 -141.6455 -121.5665 764503.9845 31.0417 31.1697 PRESSURE: 21600 320.17 -44.9509 274.013 -44.9495 -114.374 -41.0615 274.013 -41.0631 177.039 GPRESSURE: 21600 369.129 13.4828 254.918 -199.63 -58.1973 -34.8164 233.494 5.93009 150.269 PRESSAVG: 21600 -21.9773 -12.6492 -47.6907 -12.6492 -32.5732 0.856002 -47.6907 0.8559 2.23216 GPRESSAVG: 21600 -21.7231 -12.8689 -47.8343 -11.1562 -33.4232 1.63788 -49.4748 2.19334 2.85486 TIMING: 21600 CPU: 67.2738, 0.00312287/step Wall: 67.2738, 0.00312287/step, 4.31858 hours remaining, 223.261719 MB of memory in use. ENERGY: 21600 3982.3336 20572.8130 14606.1637 249.0760 -202580.8606 3003.1296 0.0000 0.0000 52007.7886 -108159.5561 298.8895 -160167.3447 -107797.4881 299.6230 127.6120 153.7335 765868.7999 -17.4395 -17.4305 PRESSURE: 21800 -248.838 236.646 182.446 236.645 40.2778 61.3984 182.446 61.3989 206.093 GPRESSURE: 21800 -80.0416 142.321 176.207 162.018 -27.2261 3.67395 50.8484 36.0061 199.888 PRESSAVG: 21800 42.4798 22.0174 -14.3255 22.0175 -15.9675 -42.5116 -14.3255 -42.5116 9.58689 GPRESSAVG: 21800 43.6353 22.0537 -15.2418 22.0125 -16.4663 -41.8412 -10.9814 -43.1913 9.10375 TIMING: 21800 CPU: 67.8976, 0.00311877/step Wall: 67.8976, 0.00311877/step, 4.31275 hours remaining, 223.261719 MB of memory in use. ENERGY: 21800 3962.9612 20536.1320 14634.8659 262.9967 -202866.6313 3154.2922 0.0000 0.0000 52083.7216 -108231.6617 299.3259 -160315.3833 -107864.1548 299.8543 -0.8222 30.8734 766653.9779 12.0331 12.0909 PRESSURE: 22000 -206.439 -231.44 -36.4239 -231.441 42.7264 -70.1675 -36.424 -70.1675 59.9876 GPRESSURE: 22000 -132.237 -253.005 -35.9107 -241.009 115.214 -101.557 -59.8502 -105.674 7.40789 PRESSAVG: 22000 12.6537 -79.4505 -79.3711 -79.4506 1.07394 -5.98615 -79.3711 -5.9861 23.7427 GPRESSAVG: 22000 12.8382 -80.3042 -79.4311 -79.3915 1.33043 -6.38912 -81.1476 -8.59747 23.8204 TIMING: 22000 CPU: 68.5203, 0.00311371/step Wall: 68.5203, 0.00311371/step, 4.30557 hours remaining, 223.261719 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: 22000 4010.1646 20602.4243 14537.3688 258.0834 -202752.3947 3007.4016 0.0000 0.0000 51951.1771 -108385.7749 298.5641 -160336.9520 -108020.2380 299.7336 -34.5749 -3.2049 766434.9628 12.4901 12.6630 PRESSURE: 22200 365.75 -68.7012 -172.304 -68.701 -169.7 98.159 -172.305 98.158 383.3 GPRESSURE: 22200 339.818 -161.223 -107.632 -37.7603 -104.491 82.0925 -222.816 81.3114 415.956 PRESSAVG: 22200 22.0343 1.91258 -15.5362 1.9126 -46.937 5.10475 -15.5363 5.10474 -32.1431 GPRESSAVG: 22200 20.3959 3.06691 -15.0938 0.672997 -46.5989 5.57639 -15.181 9.08398 -31.4862 TIMING: 22200 CPU: 69.1471, 0.00313381/step Wall: 69.1471, 0.00313381/step, 4.33319 hours remaining, 223.296875 MB of memory in use. ENERGY: 22200 4012.1881 20517.9319 14590.0089 254.6445 -203084.3274 3145.4067 0.0000 0.0000 52106.5293 -108457.6179 299.4569 -160564.1472 -108098.5558 299.3060 193.1163 217.0946 765437.4836 -19.0153 -19.2298 PRESSURE: 22400 146.528 -65.8946 -92.9251 -65.8954 -130.237 26.4827 -92.9256 26.4832 -197.703 GPRESSURE: 22400 182.386 -83.5066 -19.5911 51.2871 -100.481 4.2001 -129.75 89.2405 -202.996 PRESSAVG: 22400 63.2445 -39.7686 -60.1714 -39.7685 29.2285 10.4049 -60.1713 10.405 17.0796 GPRESSAVG: 22400 64.9218 -40.4484 -60.3679 -39.0491 27.535 11.5037 -61.7177 9.34019 17.0431 TIMING: 22400 CPU: 69.7723, 0.00312608/step Wall: 69.7723, 0.00312608/step, 4.32232 hours remaining, 223.277344 MB of memory in use. ENERGY: 22400 3954.9040 20546.9537 14614.5293 249.0569 -202591.6342 2591.3251 0.0000 0.0000 52044.9185 -108589.9467 299.1029 -160634.8652 -108228.9733 299.0032 -60.4708 -40.3637 764754.5990 36.5175 36.5000 PRESSURE: 22600 -143.771 -41.0765 -364.618 -41.0771 -90.1333 175.367 -364.618 175.368 222.671 GPRESSURE: 22600 -146.667 -50.0779 -259.978 -4.22743 40.027 84.5378 -218.457 109.97 153.997 PRESSAVG: 22600 -51.3427 20.3466 -76.7396 20.3465 85.3712 -2.52123 -76.7395 -2.52129 0.318331 GPRESSAVG: 22600 -51.2995 19.6006 -77.452 20.5635 86.1834 -4.02878 -73.3498 -2.99325 -0.221482 TIMING: 22600 CPU: 70.3938, 0.0031075/step Wall: 70.3938, 0.0031075/step, 4.29647 hours remaining, 223.277344 MB of memory in use. ENERGY: 22600 3950.0694 20730.1615 14546.3328 243.1823 -203092.5592 2831.8148 0.0000 0.0000 52275.2217 -108515.7767 300.4264 -160790.9983 -108165.7709 299.7296 -3.7443 15.7857 764803.4706 11.4490 11.5541 PRESSURE: 22800 -484.142 -57.7279 -137.745 -57.7278 -212.596 121.095 -137.744 121.095 -456.759 GPRESSURE: 22800 -454.993 27.1706 -217.481 -127.678 -217.833 133.103 -114.958 84.7704 -398.52 PRESSAVG: 22800 -13.3526 -46.7683 -61.594 -46.7682 65.8687 -14.3383 -61.5938 -14.3383 -4.1373 GPRESSAVG: 22800 -12.8041 -44.0797 -60.3364 -47.1096 66.1814 -15.5514 -65.2167 -12.4893 -5.39019 TIMING: 22800 CPU: 71.0189, 0.00312554/step Wall: 71.0189, 0.00312554/step, 4.32123 hours remaining, 223.296875 MB of memory in use. ENERGY: 22800 4005.4198 20530.2357 14557.3184 250.1210 -202418.0835 2306.2728 0.0000 0.0000 52259.6617 -108509.0540 300.3370 -160768.7157 -108137.7891 299.4419 -384.4988 -357.1153 765010.4920 16.1263 15.9957 PRESSURE: 23000 -229.854 0.668452 33.1834 0.667489 -324.894 -221.449 33.1838 -221.45 -121.42 GPRESSURE: 23000 -170.591 -11.198 -6.58582 62.4648 -295.739 -258.42 67.3203 -193.273 -122.233 PRESSAVG: 23000 -26.3506 -34.9737 -50.0333 -34.9737 35.3377 -24.435 -50.0334 -24.435 6.65611 GPRESSAVG: 23000 -26.175 -35.6299 -52.3725 -34.9472 34.9186 -23.0943 -50.1731 -25.6806 7.23877 TIMING: 23000 CPU: 71.6402, 0.00310677/step Wall: 71.6402, 0.00310677/step, 4.29511 hours remaining, 223.304688 MB of memory in use. ENERGY: 23000 3980.8419 20469.7173 14577.7871 247.6272 -202919.9959 2857.4014 0.0000 0.0000 52227.7998 -108558.8211 300.1539 -160786.6209 -108194.2038 299.0392 -225.3894 -196.1875 765077.5949 5.2144 5.3275 PRESSURE: 23200 -100.456 -171.491 -156.496 -171.49 -22.6503 -107.536 -156.495 -107.536 -79.7771 GPRESSURE: 23200 -97.9112 -123.498 -3.23869 -117.818 67.4398 1.13683 -97.0105 -120.932 -92.948 PRESSAVG: 23200 -7.37829 -46.8528 -95.0641 -46.8528 5.62409 41.8032 -95.0641 41.8031 4.92498 GPRESSAVG: 23200 -9.68298 -47.2304 -93.3335 -47.9134 8.2339 40.4117 -94.8968 42.2631 4.61496 TIMING: 23200 CPU: 72.2647, 0.0031221/step Wall: 72.2647, 0.0031221/step, 4.31612 hours remaining, 223.281250 MB of memory in use. ENERGY: 23200 3992.0132 20482.4658 14541.3011 247.8295 -202528.8070 2699.6324 0.0000 0.0000 52048.9661 -108516.5989 299.1261 -160565.5650 -108159.4339 299.4234 -67.6279 -41.1398 764974.0825 1.0569 1.0553 PRESSURE: 23400 -539.528 -140.185 101.046 -140.186 -274.618 299.486 101.046 299.488 72.297 GPRESSURE: 23400 -494.826 -98.1989 108.928 -232.375 -288.079 243.541 168.218 307.877 121.375 PRESSAVG: 23400 6.20031 57.0181 -35.9784 57.0181 32.6625 56.6901 -35.9785 56.69 -22.2501 GPRESSAVG: 23400 6.80525 55.7046 -35.0711 60.0772 31.31 56.1709 -35.571 59.351 -20.8721 TIMING: 23400 CPU: 72.8884, 0.00311871/step Wall: 72.8884, 0.00311871/step, 4.31127 hours remaining, 223.296875 MB of memory in use. ENERGY: 23400 4027.9187 20481.3405 14597.2272 241.5297 -202374.1746 2598.3280 0.0000 0.0000 51983.7464 -108444.0842 298.7513 -160427.8306 -108079.0259 299.1971 -247.2832 -220.5101 764834.4348 5.5375 5.7477 PRESSURE: 23600 194.837 54.3717 171.414 54.3725 -52.0552 58.3156 171.413 58.3157 -88.1804 GPRESSURE: 23600 178.826 -5.8732 164.926 -45.1022 -31.5581 75.2574 95.4366 120.326 -41.1378 PRESSAVG: 23600 -23.3155 11.8426 -38.8119 11.8425 -7.50103 56.1137 -38.812 56.1137 20.8538 GPRESSAVG: 23600 -22.9623 14.5001 -40.7525 7.2142 -7.73391 55.8359 -37.1711 54.4385 20.1148 TIMING: 23600 CPU: 73.5146, 0.00313102/step Wall: 73.5146, 0.00313102/step, 4.32811 hours remaining, 223.296875 MB of memory in use. ENERGY: 23600 4028.7029 20609.5906 14599.8856 251.3564 -203225.7965 2920.6600 0.0000 0.0000 52230.8078 -108584.7931 300.1712 -160815.6009 -108215.5365 299.3978 18.2003 35.3766 763680.7778 -3.3209 -3.5271 PRESSURE: 23800 147.178 59.6123 -202.164 59.6122 -377.927 183.568 -202.164 183.567 -506.405 GPRESSURE: 23800 99.8418 40.3078 -155.94 -1.52151 -305.649 277.89 -237.888 178.258 -441.287 PRESSAVG: 23800 25.4944 41.0455 -22.3107 41.0455 -9.1239 39.776 -22.3108 39.7761 -16.3529 GPRESSAVG: 23800 25.8415 39.2083 -20.8318 43.6341 -9.84263 41.1886 -22.4937 37.5539 -15.8516 TIMING: 23800 CPU: 74.1363, 0.00310845/step Wall: 74.1363, 0.00310845/step, 4.29674 hours remaining, 223.296875 MB of memory in use. ENERGY: 23800 4068.9616 20686.0661 14608.1559 245.4640 -202827.6274 2766.3232 0.0000 0.0000 52325.5549 -108127.1017 300.7157 -160452.6566 -107783.2371 299.8504 -245.7181 -215.6979 765264.3791 0.0059 0.0491 PRESSURE: 24000 -176.552 -76.3928 -154.737 -76.3932 -194.847 -46.3576 -154.738 -46.3571 -181.94 GPRESSURE: 24000 -156.824 -138.615 -80.3958 -91.8765 -149.064 -65.4229 -170.792 -115.392 -171.595 PRESSAVG: 24000 -14.6182 -81.1439 -23.2572 -81.144 -16.6466 14.6172 -23.2571 14.6173 4.137 GPRESSAVG: 24000 -15.402 -81.6513 -22.9944 -80.8922 -16.0496 14.772 -23.6978 14.0073 4.43927 TIMING: 24000 CPU: 74.7634, 0.00313535/step Wall: 74.7634, 0.00313535/step, 4.33375 hours remaining, 223.296875 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: 24000 3997.8969 20688.7931 14556.9057 235.9208 -203097.7992 2880.5064 0.0000 0.0000 52567.3844 -108170.3919 302.1055 -160737.7763 -107809.7987 300.3171 -184.4464 -159.1610 765646.8758 -9.0426 -9.0041 PRESSURE: 24200 45.8006 -87.3085 127.19 -87.3071 -136.757 -163.621 127.19 -163.621 223.151 GPRESSURE: 24200 48.3349 73.8103 109.341 -126.856 -44.5232 -154.907 58.0736 -78.4441 217.581 PRESSAVG: 24200 28.946 -43.6681 11.0312 -43.6679 -34.9318 5.99333 11.0312 5.99336 -3.6321 GPRESSAVG: 24200 29.8483 -42.8181 10.8177 -43.3684 -34.0483 5.28645 10.2787 9.00153 -5.58836 TIMING: 24200 CPU: 75.386, 0.00311313/step Wall: 75.386, 0.00311313/step, 4.30286 hours remaining, 223.300781 MB of memory in use. ENERGY: 24200 3977.9877 20623.6031 14557.9538 247.5719 -202791.3318 3020.8466 0.0000 0.0000 52413.5082 -107949.8604 301.2212 -160363.3687 -107594.4903 300.6700 44.0650 73.7974 766510.6261 -3.2060 -3.2628 LDB: ============= START OF LOAD BALANCING ============== 87.8648 LDB: ============== END OF LOAD BALANCING =============== 87.865 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 87.8667 LDB: ============= START OF LOAD BALANCING ============== 88.1814 LDB: Largest compute 6987 load 0.028509 is 14.7% of average load 0.194168 LDB: Average compute 0.004337 is 2.2% of average load 0.194168 LDB: TIME 88.1847 LOAD: AVG 0.194168 MAX 0.212927 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 224.766 MB LDB: TIME 88.1851 LOAD: AVG 0.194168 MAX 0.212927 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 224.766 MB LDB: TIME 88.1852 LOAD: AVG 0.194168 MAX 0.212927 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 224.766 MB LDB: ============== END OF LOAD BALANCING =============== 88.1872 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 88.1918 PRESSURE: 24400 -217.708 -86.8277 -64.0787 -86.827 -173.234 -1.32151 -64.0784 -1.32191 -158.925 GPRESSURE: 24400 -195.057 -201.12 -84.9087 -90.4409 -85.7121 -88.7181 -51.426 -22.0994 -168.274 PRESSAVG: 24400 30.5511 33.2283 24.4889 33.2283 -4.40972 8.23775 24.489 8.23785 13.7355 GPRESSAVG: 24400 29.439 31.8639 23.9195 34.551 -5.36969 7.88536 26.3823 8.17826 15.2537 TIMING: 24400 CPU: 76.0257, 0.00319873/step Wall: 76.0257, 0.00319873/step, 4.421 hours remaining, 224.964844 MB of memory in use. ENERGY: 24400 3978.5854 20511.1936 14578.6560 266.9228 -202240.0285 2790.2550 0.0000 0.0000 52190.5295 -107923.8862 299.9397 -160114.4157 -107561.9718 300.7746 -183.2894 -149.6808 768378.5644 13.2923 13.1077 PRESSURE: 24600 -410.386 90.2964 -3.85642 90.2959 -87.149 -84.4649 -3.85669 -84.4647 -430.234 GPRESSURE: 24600 -358.208 50.6031 -58.1528 92.7145 -71.4829 -58.3085 -24.4689 -142.704 -415.959 PRESSAVG: 24600 51.9104 11.9412 10.9957 11.9413 -58.9436 -17.3821 10.9957 -17.3821 2.86306 GPRESSAVG: 24600 53.3509 12.2234 10.0565 11.3047 -59.2385 -18.2631 7.92782 -18.724 1.40622 TIMING: 24600 CPU: 76.6501, 0.00312193/step Wall: 76.6501, 0.00312193/step, 4.31468 hours remaining, 225.367188 MB of memory in use. ENERGY: 24600 3971.8810 20442.4274 14544.1133 280.2083 -202349.4119 2799.6009 0.0000 0.0000 52128.5974 -108182.5837 299.5838 -160311.1811 -107812.7352 300.8823 -309.2563 -281.8830 765934.7535 -1.3900 -1.4938 PRESSURE: 24800 -253.975 59.1426 111.232 59.1426 -572.764 -156.034 111.232 -156.034 -384.371 GPRESSURE: 24800 -276.024 55.8106 77.5654 152.425 -466.449 -81.3661 179.332 -81.3856 -413.399 PRESSAVG: 24800 9.54326 8.35528 11.5275 8.35535 -24.2574 2.7473 11.5275 2.74731 9.30234 GPRESSAVG: 24800 8.96056 7.27624 12.9296 8.88953 -25.109 5.64335 12.3299 3.19415 10.3171 TIMING: 24800 CPU: 77.2722, 0.00311047/step Wall: 77.2722, 0.00311047/step, 4.29867 hours remaining, 225.601562 MB of memory in use. ENERGY: 24800 4067.6742 20472.1280 14577.8066 257.8060 -202303.8143 2658.9233 0.0000 0.0000 52273.7082 -107995.7681 300.4177 -160269.4763 -107623.0790 300.1329 -403.7030 -385.2906 768124.8186 -1.8039 -1.9438 PRESSURE: 25000 61.8072 15.798 119.409 15.798 79.1932 -126.492 119.409 -126.492 -250.724 GPRESSURE: 25000 53.3516 -5.92432 200.493 -79.1569 118.089 -169.425 52.956 -191.463 -193.225 PRESSAVG: 25000 21.9134 4.50443 -9.34069 4.50444 -63.1646 2.07652 -9.34065 2.07651 26.2309 GPRESSAVG: 25000 22.1442 6.80498 -10.1871 3.90482 -62.8458 1.29041 -10.1684 1.84243 25.8683 TIMING: 25000 CPU: 77.8923, 0.00310054/step Wall: 77.8923, 0.00310054/step, 4.28477 hours remaining, 225.601562 MB of memory in use. ENERGY: 25000 4005.4953 20527.1511 14585.9508 250.9346 -202650.8140 2772.4130 0.0000 0.0000 52297.0225 -108211.8467 300.5517 -160508.8692 -107848.9280 300.1707 -36.5744 -7.2616 764228.3892 -5.0068 -4.9444 PRESSURE: 25200 153.695 -130.788 302.68 -130.788 -305.475 -201.811 302.68 -201.81 139.282 GPRESSURE: 25200 209.43 -108.199 243.477 -45.7621 -273.904 -236.356 206.928 -209.799 137.703 PRESSAVG: 25200 60.203 32.8348 -4.58104 32.8348 -9.5337 -52.1937 -4.58104 -52.1938 15.9601 GPRESSAVG: 25200 59.7307 32.9474 -4.74625 31.5149 -8.53829 -52.8998 -2.38436 -52.8337 15.9811 TIMING: 25200 CPU: 78.5135, 0.00310582/step Wall: 78.5135, 0.00310582/step, 4.2919 hours remaining, 225.601562 MB of memory in use. ENERGY: 25200 3930.1887 20600.6899 14602.8732 247.7947 -202826.0272 2944.7805 0.0000 0.0000 52302.5023 -108197.1978 300.5832 -160499.7001 -107835.2704 300.8437 -4.1660 24.4097 763858.2615 22.2098 22.3911 PRESSURE: 25400 319.439 114.222 -231.764 114.222 25.3908 -99.3334 -231.763 -99.3332 -148.941 GPRESSURE: 25400 303.147 7.43891 -136.631 148.581 56.7335 -26.787 -227.433 -105.093 -102.85 PRESSAVG: 25400 19.6525 53.3385 -26.2654 53.3384 -22.3407 -44.6979 -26.2655 -44.6979 6.18852 GPRESSAVG: 25400 19.9578 53.2157 -25.5583 55.3679 -23.4813 -45.9992 -26.8988 -43.7922 7.1586 TIMING: 25400 CPU: 79.1343, 0.0031042/step Wall: 79.1343, 0.0031042/step, 4.28949 hours remaining, 225.601562 MB of memory in use. ENERGY: 25400 3884.9461 20484.9293 14683.0390 256.0607 -202421.6385 2742.1124 0.0000 0.0000 52251.4635 -108119.0876 300.2899 -160370.5511 -107747.6477 300.4486 65.2963 85.6768 765940.6128 1.1668 1.2117 PRESSURE: 25600 188.327 56.2156 74.2084 56.2161 -183.425 -51.309 74.208 -51.3088 47.5027 GPRESSURE: 25600 245.925 53.7304 105.037 109.785 -170.692 -78.6068 65.9306 -102.852 65.6624 PRESSAVG: 25600 87.5956 11.5006 -39.3537 11.5006 -100.435 5.47075 -39.3537 5.47081 3.7857 GPRESSAVG: 25600 88.07 11.2071 -39.2329 12.7138 -99.9612 8.19434 -40.0073 4.2622 2.88252 TIMING: 25600 CPU: 79.7557, 0.00310672/step Wall: 79.7557, 0.00310672/step, 4.29279 hours remaining, 225.601562 MB of memory in use. ENERGY: 25600 4038.8138 20601.5934 14632.0568 255.4924 -202981.8576 3228.0048 0.0000 0.0000 52275.8083 -107950.0881 300.4298 -160225.8965 -107586.8514 300.8448 17.4684 46.9651 764725.4002 -3.0180 -3.0029 PRESSURE: 25800 -181.715 -135.344 45.3606 -135.345 -38.6717 250.737 45.361 250.736 -288.794 GPRESSURE: 25800 -86.7494 -76.4077 73.4166 -105.692 -52.0408 237.903 20.3386 175.621 -307.818 PRESSAVG: 25800 -5.14591 44.9085 -32.6426 44.9085 -19.035 5.26143 -32.6426 5.26142 13.8243 GPRESSAVG: 25800 -5.52596 43.5148 -33.413 44.3809 -19.8007 2.82945 -32.8546 5.75843 14.7021 TIMING: 25800 CPU: 80.3758, 0.00310053/step Wall: 80.3758, 0.00310053/step, 4.28407 hours remaining, 225.589844 MB of memory in use. ENERGY: 25800 4021.3369 20503.9522 14566.1091 235.2796 -202356.8205 2654.2402 0.0000 0.0000 52416.6133 -107959.2892 301.2390 -160375.9026 -107593.6157 300.4378 -169.7269 -148.8694 766079.0537 -3.4522 -3.5415 PRESSURE: 26000 -93.5171 -25.3652 -118.914 -25.3644 -395.587 23.257 -118.914 23.2561 -429.41 GPRESSURE: 26000 -115.82 -31.6338 -81.7708 99.764 -236.045 -24.3691 -148.164 133.871 -487.745 PRESSAVG: 26000 36.7758 32.3364 -15.3883 32.3365 -62.3601 -3.45484 -15.3883 -3.45476 -17.4939 GPRESSAVG: 26000 37.4882 34.2712 -15.9645 30.3421 -61.4226 -0.930917 -16.3604 -4.30283 -19.024 TIMING: 26000 CPU: 80.9959, 0.00310061/step Wall: 80.9959, 0.00310061/step, 4.28401 hours remaining, 225.601562 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: 26000 3979.3145 20633.8007 14644.7058 244.8221 -202308.6867 2648.1694 0.0000 0.0000 52354.5110 -107803.3632 300.8821 -160157.8742 -107433.4171 300.9767 -306.1715 -279.8700 766834.6027 -14.3594 -14.3195 PRESSURE: 26200 -24.2619 83.7928 16.6652 83.7928 -170.908 -9.50727 16.6647 -9.50656 -142.639 GPRESSURE: 26200 23.3316 146.977 -13.3993 166.965 -213.865 -60.1699 158.56 -34.6413 -76.1943 PRESSAVG: 26200 14.5443 38.6244 44.3132 38.6244 31.1397 0.454947 44.3132 0.454891 31.0954 GPRESSAVG: 26200 13.8439 37.3855 44.8692 40.5281 31.0577 -3.27405 47.6331 1.08216 31.5813 TIMING: 26200 CPU: 81.6188, 0.00311467/step Wall: 81.6188, 0.00311467/step, 4.30327 hours remaining, 225.601562 MB of memory in use. ENERGY: 26200 4041.6241 20508.6495 14619.1588 231.8975 -202427.7595 2940.0794 0.0000 0.0000 52255.0644 -107831.2858 300.3106 -160086.3502 -107464.8454 300.7942 -112.6031 -88.9091 766011.6896 25.5931 25.4943 PRESSURE: 26400 -202.145 40.4662 -62.7744 40.4664 -583.82 23.7155 -62.7746 23.7159 -297.242 GPRESSURE: 26400 -171.705 20.1702 -103.571 46.9173 -466.373 -18.8378 -133.07 -90.0463 -367.299 PRESSAVG: 26400 -13.2712 16.9673 11.5163 16.9673 -21.2961 -23.3107 11.5163 -23.3108 24.3481 GPRESSAVG: 26400 -12.1199 16.8127 12.209 17.0011 -21.7409 -21.7579 10.998 -23.3101 23.6561 TIMING: 26400 CPU: 82.2413, 0.00311242/step Wall: 82.2413, 0.00311242/step, 4.29999 hours remaining, 225.601562 MB of memory in use. ENERGY: 26400 4063.8383 20514.5355 14563.4662 256.2188 -201775.8559 2384.5198 0.0000 0.0000 52260.3119 -107732.9655 300.3407 -159993.2773 -107378.8367 300.9903 -361.0688 -335.1254 767192.6837 -3.4064 -3.4016 PRESSURE: 26600 -174.37 300.715 163.757 300.715 -160.146 11.7633 163.758 11.7642 -196.032 GPRESSURE: 26600 -88.6439 290.493 176.102 165.633 -130.351 20.0435 193.714 -14.5358 -236.585 PRESSAVG: 26600 37.607 62.9647 81.2528 62.9647 -52.5528 21.9333 81.2529 21.9332 -29.2458 GPRESSAVG: 26600 37.3144 64.4854 80.6033 61.3293 -52.8469 21.3356 80.8125 21.7121 -28.0183 TIMING: 26600 CPU: 82.8652, 0.00311937/step Wall: 82.8652, 0.00311937/step, 4.30941 hours remaining, 225.601562 MB of memory in use. ENERGY: 26600 4055.5468 20536.7641 14527.4661 257.5311 -202060.1893 2642.5211 0.0000 0.0000 52153.8712 -107886.4890 299.7290 -160040.3601 -107521.1876 300.7453 -176.8494 -151.8601 766908.9822 -14.7305 -14.5169 PRESSURE: 26800 -30.828 -4.6151 81.6802 -4.61612 2.03294 -29.449 81.6807 -29.4487 -2.22897 GPRESSURE: 26800 71.9124 40.5146 -8.61144 -67.034 -38.2456 19.9451 131.815 -153.917 1.68505 PRESSAVG: 26800 2.8473 30.4039 42.6146 30.4038 19.3631 3.1368 42.6145 3.13692 -18.1106 GPRESSAVG: 26800 1.91005 28.4817 42.6352 33.6545 19.9582 4.22548 42.2588 4.63851 -17.801 TIMING: 26800 CPU: 83.4833, 0.00309044/step Wall: 83.4833, 0.00309044/step, 4.26928 hours remaining, 225.601562 MB of memory in use. ENERGY: 26800 3933.8221 20547.0129 14577.4777 266.7133 -202394.1553 2817.1710 0.0000 0.0000 52253.3189 -107998.6394 300.3005 -160251.9583 -107637.9160 300.6171 -10.3413 11.7839 765334.9219 1.3666 1.3558 PRESSURE: 27000 -337.604 42.6439 25.9045 42.6457 52.6746 -85.8881 25.9052 -85.8882 125.293 GPRESSURE: 27000 -169.146 34.6015 8.61213 67.6429 20.7779 -113.902 105.128 -133.44 58.6021 PRESSAVG: 27000 -11.5667 7.16201 22.3504 7.16205 27.1976 10.2365 22.3504 10.2365 -6.54718 GPRESSAVG: 27000 -9.64688 8.8444 24.2038 5.41041 26.293 11.1201 22.2573 8.54777 -7.29475 TIMING: 27000 CPU: 84.1023, 0.00309482/step Wall: 84.1023, 0.00309482/step, 4.27515 hours remaining, 225.601562 MB of memory in use. ENERGY: 27000 3990.2503 20660.7630 14532.5131 255.1649 -202995.9600 3030.0628 0.0000 0.0000 52196.7777 -108330.4282 299.9756 -160527.2059 -107968.8521 299.9831 -53.2120 -29.9219 765801.4519 3.0279 3.1171 PRESSURE: 27200 -413.247 284.935 -86.3554 284.935 54.562 265.275 -86.3552 265.276 -77.2564 GPRESSURE: 27200 -406.15 203.437 -11.3612 219.353 102.086 167.551 -135.939 376.884 -53.8291 PRESSAVG: 27200 -24.0106 -15.1249 48.1328 -15.1248 29.021 9.08551 48.1328 9.08547 44.2663 GPRESSAVG: 27200 -24.6613 -15.2176 47.6175 -15.289 30.2005 8.08469 47.5988 10.5228 43.8557 TIMING: 27200 CPU: 84.7246, 0.00311165/step Wall: 84.7246, 0.00311165/step, 4.29823 hours remaining, 225.601562 MB of memory in use. ENERGY: 27200 4070.1841 20537.2349 14536.1531 260.7962 -202565.3207 2585.8951 0.0000 0.0000 52361.3645 -108213.6927 300.9215 -160575.0573 -107847.8616 300.2178 -145.3136 -119.2977 764689.3248 16.4256 16.4650 PRESSURE: 27400 -387.198 199.49 -44.466 199.49 -389.017 150.147 -44.4654 150.147 -219.757 GPRESSURE: 27400 -436.803 180.749 -23.8909 115.817 -328.219 69.7861 -6.92578 39.5054 -154.957 PRESSAVG: 27400 -5.12938 19.098 1.73442 19.098 30.1521 28.6992 1.73441 28.6993 9.51023 GPRESSAVG: 27400 -8.04533 16.3775 1.77837 18.3141 30.3539 29.2255 1.66641 27.0101 11.9069 TIMING: 27400 CPU: 85.3453, 0.00310359/step Wall: 85.3453, 0.00310358/step, 4.28691 hours remaining, 225.601562 MB of memory in use. ENERGY: 27400 4087.1303 20422.8323 14562.6624 262.4036 -202729.8302 2958.7345 0.0000 0.0000 52161.8336 -108274.2335 299.7748 -160436.0670 -107907.2965 300.6094 -331.9906 -306.6594 767314.2246 11.5110 11.4051 PRESSURE: 27600 -178.38 -205.589 31.0942 -205.59 -422.156 124.165 31.094 124.164 -128.965 GPRESSURE: 27600 -116.278 -259.695 61.7807 -211.224 -432.609 121.037 56.255 121.889 -84.6938 PRESSAVG: 27600 48.2246 -55.6914 49.3928 -55.6914 -73.8612 -84.054 49.3927 -84.054 6.04219 GPRESSAVG: 27600 50.8982 -53.8234 47.6334 -53.7393 -73.9852 -83.5566 51.8755 -83.0793 3.50286 TIMING: 27600 CPU: 85.9707, 0.00312722/step Wall: 85.9707, 0.00312722/step, 4.31938 hours remaining, 225.601562 MB of memory in use. ENERGY: 27600 4014.7745 20594.3328 14594.4411 269.2168 -202645.8122 2911.4920 0.0000 0.0000 51944.0441 -108317.5108 298.5231 -160261.5549 -107957.6440 300.0299 -243.1668 -211.1935 765909.4929 -6.5315 -6.5281 PRESSURE: 27800 -174.703 5.40551 -109.116 5.40622 -55.6577 -40.6331 -109.117 -40.6327 -7.83074 GPRESSURE: 27800 -92.8866 -39.234 -126.261 20.2672 -50.734 -19.8653 -118.225 -213.966 10.5525 PRESSAVG: 27800 7.01224 -34.4283 34.432 -34.4284 59.4496 21.6 34.432 21.6001 -3.42044 GPRESSAVG: 27800 6.65443 -34.9943 35.8893 -36.5607 59.3598 22.5156 30.6173 20.6758 -2.71715 TIMING: 27800 CPU: 86.5948, 0.00312038/step Wall: 86.5948, 0.00312038/step, 4.30977 hours remaining, 225.601562 MB of memory in use. ENERGY: 27800 4001.9649 20446.8981 14512.8268 240.7600 -202945.7722 2915.4077 0.0000 0.0000 52053.0519 -108774.8629 299.1496 -160827.9148 -108413.1745 299.3836 -79.3970 -44.3560 765685.8513 21.0138 21.0990 PRESSURE: 28000 282.436 -204.608 218.878 -204.608 -53.3908 -25.9856 218.878 -25.9841 400.279 GPRESSURE: 28000 267.94 -157.527 211.816 -12.8315 12.8712 -10.1261 64.4025 58.4335 417.292 PRESSAVG: 28000 -39.7553 -41.059 -38.9359 -41.059 3.37108 -30.9148 -38.9359 -30.9147 6.32287 GPRESSAVG: 28000 -39.4969 -41.3078 -40.892 -37.3052 1.7371 -31.4359 -33.9704 -30.2441 7.26041 TIMING: 28000 CPU: 87.2186, 0.0031189/step Wall: 87.2186, 0.0031189/step, 4.30755 hours remaining, 225.601562 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: 28000 3956.6213 20566.2525 14536.5812 233.4836 -203326.5821 3184.2868 0.0000 0.0000 52413.9902 -108435.3666 301.2239 -160849.3568 -108066.4635 299.1019 209.7747 232.7009 765427.3708 -10.0205 -10.1665 PRESSURE: 28200 144.645 158.057 -118.578 158.057 -193.567 -88.6189 -118.578 -88.6187 -297.292 GPRESSURE: 28200 133.102 289.831 -101.966 205.685 -166.129 -122.857 -1.54348 -66.3491 -235.147 PRESSAVG: 28200 14.0104 -34.3351 22.9423 -34.3351 1.30956 -48.1076 22.9423 -48.1076 28.0786 GPRESSAVG: 28200 14.0562 -35.253 23.0969 -34.5925 2.42668 -48.2862 18.9532 -47.0844 26.9038 TIMING: 28200 CPU: 87.8404, 0.00310878/step Wall: 87.8404, 0.00310878/step, 4.2934 hours remaining, 225.601562 MB of memory in use. ENERGY: 28200 4094.7504 20606.1477 14553.5001 257.5004 -202958.2297 2711.1055 0.0000 0.0000 52153.6403 -108581.5854 299.7277 -160735.2257 -108225.3618 299.6159 -115.4048 -89.3916 764352.5676 14.4662 14.4622 LDB: ============= START OF LOAD BALANCING ============== 100.319 LDB: ============== END OF LOAD BALANCING =============== 100.319 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 100.321 LDB: ============= START OF LOAD BALANCING ============== 100.634 LDB: Largest compute 6987 load 0.030252 is 15.6% of average load 0.194170 LDB: Average compute 0.004359 is 2.2% of average load 0.194170 LDB: TIME 100.637 LOAD: AVG 0.19417 MAX 0.216951 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 224.496 MB LDB: TIME 100.638 LOAD: AVG 0.19417 MAX 0.216951 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 224.496 MB LDB: TIME 100.638 LOAD: AVG 0.19417 MAX 0.214664 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 224.496 MB LDB: ============== END OF LOAD BALANCING =============== 100.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 100.645 PRESSURE: 28400 -401.05 -34.4963 -96.6202 -34.4974 -29.636 -230.945 -96.6197 -230.945 -320.916 GPRESSURE: 28400 -361.234 -121.183 -102.477 -121.466 -25.2796 -282.355 -61.302 -177.02 -287.198 PRESSAVG: 28400 -27.895 -34.7902 72.8199 -34.7902 13.2816 8.60962 72.8198 8.6097 -0.616358 GPRESSAVG: 28400 -27.2203 -34.3362 73.8287 -36.4635 12.5845 8.38522 73.7 7.80866 -0.425669 TIMING: 28400 CPU: 88.4786, 0.00319137/step Wall: 88.4786, 0.00319137/step, 4.40728 hours remaining, 222.914062 MB of memory in use. ENERGY: 28400 4019.4994 20601.2375 14530.4578 254.5128 -202645.1709 2517.2101 0.0000 0.0000 52083.1085 -108639.1448 299.3223 -160722.2533 -108274.3726 299.9135 -250.5339 -224.5705 766114.9922 -5.0766 -5.0205 PRESSURE: 28600 276.64 53.978 84.4923 53.9788 -137.694 0.525146 84.4918 0.524388 47.8036 GPRESSURE: 28600 265.098 9.22383 55.0474 127.795 -40.484 9.83404 190.509 -98.6322 57.2165 PRESSAVG: 28600 -1.54579 -56.5061 0.197169 -56.506 5.51199 -2.79999 0.197173 -2.80004 6.05466 GPRESSAVG: 28600 -2.19018 -56.0283 -1.22231 -55.5717 6.98255 -2.91856 1.52595 -3.66991 5.72216 TIMING: 28600 CPU: 89.105, 0.00313192/step Wall: 89.105, 0.00313192/step, 4.325 hours remaining, 223.242188 MB of memory in use. ENERGY: 28600 4023.1760 20455.0385 14539.8119 261.0034 -203207.7125 2967.1130 0.0000 0.0000 52272.0638 -108689.5058 300.4083 -160961.5696 -108316.2889 299.8351 62.2496 93.9435 763059.7864 3.3403 3.5048 PRESSURE: 28800 -88.3748 -14.7286 -26.9711 -14.7289 -57.5969 82.5342 -26.9708 82.534 409.672 GPRESSURE: 28800 -32.2004 45.67 -16.2476 -31.787 -11.5373 110.368 89.8138 48.4826 372.426 PRESSAVG: 28800 -32.9593 -32.2828 -3.63818 -32.2828 2.78614 17.1772 -3.6382 17.1772 -10.743 GPRESSAVG: 28800 -33.3761 -31.71 -2.23461 -33.8235 3.94323 17.745 -3.36749 17.2056 -11.0468 TIMING: 28800 CPU: 89.7246, 0.00309805/step Wall: 89.7246, 0.00309805/step, 4.27806 hours remaining, 223.242188 MB of memory in use. ENERGY: 28800 3959.3303 20573.7305 14592.6881 257.8513 -203167.2350 3136.6530 0.0000 0.0000 52027.9924 -108618.9895 299.0056 -160646.9819 -108252.2902 299.3392 87.9000 109.5627 764464.6619 -13.6387 -13.4932 PRESSURE: 29000 231.361 -11.6739 190.304 -11.6734 164.835 -90.6019 190.304 -90.6016 409.38 GPRESSURE: 29000 214.658 20.6829 201.714 104.432 218.361 -98.0489 214.102 -97.3823 464.532 PRESSAVG: 29000 -4.93509 -49.514 46.349 -49.514 12.9445 -4.93512 46.349 -4.93516 18.8248 GPRESSAVG: 29000 -4.26624 -50.7641 46.1092 -46.6337 11.7885 -5.74532 45.5793 -4.96841 19.0552 TIMING: 29000 CPU: 90.3444, 0.00309875/step Wall: 90.3444, 0.00309875/step, 4.27886 hours remaining, 223.230469 MB of memory in use. ENERGY: 29000 4028.6266 20575.9829 14598.5408 250.8232 -203169.9813 3041.3935 0.0000 0.0000 52131.5371 -108543.0772 299.6007 -160674.6143 -108178.1664 299.7068 268.5251 299.1836 764017.6741 8.9447 8.8591 PRESSURE: 29200 -131.142 -134.59 118.762 -134.589 -101.185 47.2395 118.762 47.24 -54.1362 GPRESSURE: 29200 -85.6705 -77.1937 54.2522 -85.4726 -44.4477 38.5112 132.195 62.1572 -72.5066 PRESSAVG: 29200 -20.7659 -17.4006 63.4849 -17.4006 68.8738 -67.3655 63.485 -67.3654 -8.9229 GPRESSAVG: 29200 -21.3112 -16.5353 62.0456 -18.1113 68.8009 -66.5255 63.9266 -66.4734 -8.55608 TIMING: 29200 CPU: 90.9645, 0.00310056/step Wall: 90.9645, 0.00310056/step, 4.28118 hours remaining, 223.242188 MB of memory in use. ENERGY: 29200 3944.4753 20491.1411 14554.4006 251.0592 -202938.8617 2804.1714 0.0000 0.0000 52302.2807 -108591.3335 300.5819 -160893.6141 -108223.7624 299.6636 -95.4878 -67.5416 763576.0304 13.0617 12.9779 PRESSURE: 29400 96.9153 67.6193 -128.002 67.6189 31.4462 57.4763 -128.002 57.4759 443.101 GPRESSURE: 29400 133.645 -28.1709 -75.6304 -16.1042 85.674 90.755 -23.8094 71.0725 438.158 PRESSAVG: 29400 -37.0013 -28.2702 22.3123 -28.2702 86.5847 3.60611 22.3123 3.60613 19.5199 GPRESSAVG: 29400 -36.3166 -28.5453 24.4207 -30.5461 86.2345 3.04956 21.0672 4.43459 19.1988 TIMING: 29400 CPU: 91.5858, 0.00310662/step Wall: 91.5858, 0.00310662/step, 4.28938 hours remaining, 223.242188 MB of memory in use. ENERGY: 29400 3938.7762 20418.9478 14496.5943 240.1389 -202910.1927 2745.4560 0.0000 0.0000 52220.2294 -108850.0501 300.1104 -161070.2795 -108480.5114 299.3856 190.4875 219.1590 762815.5656 23.0344 23.0389 PRESSURE: 29600 -273.009 48.3092 -92.3496 48.3097 -142.827 10.2602 -92.3499 10.2601 168.537 GPRESSURE: 29600 -221.627 48.4501 -94.7426 94.1964 -112.341 -11.5927 32.4982 -91.9193 159.337 PRESSAVG: 29600 0.528137 -22.3881 -6.15139 -22.388 15.7368 -13.838 -6.15141 -13.8379 13.4193 GPRESSAVG: 29600 2.24427 -21.6202 -6.94066 -20.4418 14.2479 -11.4183 -4.76489 -16.0467 12.7673 TIMING: 29600 CPU: 92.2054, 0.00309808/step Wall: 92.2054, 0.00309808/step, 4.27741 hours remaining, 223.242188 MB of memory in use. ENERGY: 29600 3892.1962 20455.9053 14533.6152 232.2352 -203395.2172 2975.4929 0.0000 0.0000 52458.3132 -108847.4593 301.4786 -161305.7725 -108476.1975 299.7177 -82.4330 -58.2105 766074.4600 9.8948 9.7532 PRESSURE: 29800 54.3415 87.5236 -127.938 87.524 40.9024 -328.249 -127.937 -328.249 65.8606 GPRESSURE: 29800 47.4123 31.1951 -28.5158 64.6657 55.8107 -386.338 -180.917 -346.429 126.677 PRESSAVG: 29800 -24.4581 -76.7035 -0.333773 -76.7034 15.6866 -23.1449 -0.333834 -23.145 16.588 GPRESSAVG: 29800 -24.9033 -77.6763 0.0314088 -77.6992 16.4295 -24.9542 0.417599 -22.8045 16.8812 TIMING: 29800 CPU: 92.8261, 0.0031033/step Wall: 92.8261, 0.0031033/step, 4.28445 hours remaining, 223.242188 MB of memory in use. ENERGY: 29800 3982.5460 20527.6973 14487.2232 260.5802 -203470.6623 3301.2713 0.0000 0.0000 52084.9366 -108826.4077 299.3328 -160911.3443 -108458.7842 298.9526 53.7015 76.6332 766180.0761 2.6055 2.8024 PRESSURE: 30000 147.1 141.673 -107.271 141.672 128.909 -31.3001 -107.271 -31.2997 52.6684 GPRESSURE: 30000 131.162 185.209 -12.2206 173.549 184.911 -179.75 -144.929 12.8922 76.5173 PRESSAVG: 30000 -26.2228 -40.4283 -51.4012 -40.4284 38.3507 -7.9821 -51.4012 -7.98212 -9.03699 GPRESSAVG: 30000 -28.4329 -39.9934 -51.0071 -39.3971 38.4376 -8.34595 -52.2884 -7.08068 -7.26141 TIMING: 30000 CPU: 93.4466, 0.00310266/step Wall: 93.4466, 0.00310266/step, 4.2834 hours remaining, 223.230469 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: 30000 4012.1555 20544.3073 14604.8742 250.7526 -203477.1703 3206.1097 0.0000 0.0000 52055.1396 -108803.8314 299.1616 -160858.9710 -108446.0244 299.1393 109.5591 130.8632 764112.7764 1.0303 0.9144 PRESSURE: 30200 -203.514 20.2138 155.26 20.2133 -137.465 74.5275 155.26 74.5272 -15.6156 GPRESSURE: 30200 -231.793 -29.0087 216.019 104.866 -81.3264 71.7432 150.309 24.502 62.1471 PRESSAVG: 30200 -40.2385 -25.4117 -2.50015 -25.4117 26.9392 -25.2175 -2.50011 -25.2174 22.9548 GPRESSAVG: 30200 -39.4704 -23.3203 -3.20812 -26.5933 27.5917 -24.7514 -2.55591 -25.5947 21.2231 TIMING: 30200 CPU: 94.0656, 0.00309478/step Wall: 94.0656, 0.00309478/step, 4.27234 hours remaining, 223.242188 MB of memory in use. ENERGY: 30200 3980.4551 20540.3980 14536.1010 224.6035 -203244.2864 2945.6227 0.0000 0.0000 52018.2062 -108998.8999 298.9493 -161017.1061 -108629.5871 299.0323 -118.8647 -83.6575 764759.8325 3.2185 3.1148 PRESSURE: 30400 99.592 -34.7484 -83.7144 -34.7484 -19.6686 -115.979 -83.7139 -115.979 -17.5975 GPRESSURE: 30400 90.7025 44.6694 -86.3652 -19.223 88.3133 -103.247 -57.774 -150.983 -31.5442 PRESSAVG: 30400 -4.04337 -5.14528 18.4607 -5.14526 19.036 -27.9583 18.4607 -27.9583 -19.9351 GPRESSAVG: 30400 -3.91261 -5.02559 17.9 -5.07559 19.0967 -27.3258 17.0213 -29.8924 -20.2324 TIMING: 30400 CPU: 94.6851, 0.00309764/step Wall: 94.6851, 0.00309764/step, 4.27612 hours remaining, 223.242188 MB of memory in use. ENERGY: 30400 3827.9514 20519.8208 14525.7467 246.6019 -203613.0613 3247.1461 0.0000 0.0000 52112.4125 -109133.3818 299.4908 -161245.7943 -108754.6227 299.1059 20.7753 49.1572 765486.7372 -1.6475 -1.6828 PRESSURE: 30600 312.982 172.545 -131.306 172.546 198.423 68.0195 -131.307 68.0202 519.239 GPRESSURE: 30600 345.721 110.833 -116.359 231.821 157.903 61.7654 -34.0126 167.942 602.287 PRESSAVG: 30600 29.4667 -17.6769 -12.7381 -17.6769 3.83529 3.84628 -12.738 3.84631 -16.5048 GPRESSAVG: 30600 29.1536 -19.3722 -13.9142 -17.3036 2.46135 3.47632 -10.6302 5.95322 -14.9993 TIMING: 30600 CPU: 95.3034, 0.00309127/step Wall: 95.3034, 0.00309126/step, 4.26715 hours remaining, 223.242188 MB of memory in use. ENERGY: 30600 3963.6700 20532.1068 14500.2631 253.2812 -203839.5071 3442.2839 0.0000 0.0000 52054.8504 -109093.0518 299.1599 -161147.9023 -108740.3584 298.4781 343.5482 368.6370 763594.6007 5.5991 5.5386 PRESSURE: 30800 -7.52118 12.2815 72.7943 12.2807 -102.683 -273.174 72.7947 -273.175 7.34984 GPRESSURE: 30800 75.3014 20.1236 104.426 -48.1538 -114.032 -200.517 61.7553 -146.804 -2.55303 PRESSAVG: 30800 -4.8491 -17.6892 20.0271 -17.6892 -33.1618 -19.9721 20.0272 -19.9721 0.758929 GPRESSAVG: 30800 -4.42714 -17.2282 22.6295 -20.4167 -33.0237 -21.6805 19.721 -19.5509 0.605183 TIMING: 30800 CPU: 95.9243, 0.0031049/step Wall: 95.9243, 0.0031049/step, 4.2858 hours remaining, 223.242188 MB of memory in use. ENERGY: 30800 3970.0752 20350.9568 14552.2721 241.4347 -203195.8649 3051.2765 0.0000 0.0000 52123.6381 -108906.2115 299.5553 -161029.8496 -108543.1852 298.6124 -34.2848 -13.7613 765477.6509 -12.4173 -12.2819 PRESSURE: 31000 -35.9883 5.48073 95.9835 5.48015 -333.169 298.616 95.9832 298.616 -36.028 GPRESSURE: 31000 -80.3521 26.3482 83.4125 76.799 -263.364 339.272 131.842 304.442 8.28534 PRESSAVG: 31000 72.429 29.1624 17.9098 29.1624 -46.0017 -45.8445 17.9098 -45.8445 3.20626 GPRESSAVG: 31000 72.6326 27.7883 17.561 31.0252 -45.9225 -45.6962 17.1738 -46.3774 2.98632 TIMING: 31000 CPU: 96.5475, 0.00311563/step Wall: 96.5475, 0.00311563/step, 4.30043 hours remaining, 223.242188 MB of memory in use. ENERGY: 31000 4001.5515 20432.7933 14564.9220 249.7227 -203021.7242 2899.9904 0.0000 0.0000 51883.8589 -108988.8854 298.1773 -160872.7443 -108623.5948 298.7669 -135.0619 -111.8102 765436.4830 9.8778 9.8988 PRESSURE: 31200 -160.572 -380.871 -107.601 -380.872 -308.484 102.478 -107.6 102.477 8.03121 GPRESSURE: 31200 -144.81 -156.986 -150.625 -370.048 -268.851 20.6837 -57.5521 55.0429 31.2284 PRESSAVG: 31200 12.3323 9.70891 24.4918 9.70892 -30.4192 -43.8732 24.4918 -43.8732 -7.58684 GPRESSAVG: 31200 12.3102 11.2658 22.5511 11.36 -29.58 -42.9339 24.6489 -41.5741 -8.5348 TIMING: 31200 CPU: 97.1703, 0.00311426/step Wall: 97.1703, 0.00311426/step, 4.29837 hours remaining, 223.242188 MB of memory in use. ENERGY: 31200 3997.6184 20461.6755 14592.4585 245.9338 -202940.4286 2780.3057 0.0000 0.0000 52033.7689 -108828.6679 299.0388 -160862.4367 -108458.3207 299.0518 -153.6750 -127.4775 765512.5941 -8.5579 -8.6015 PRESSURE: 31400 111.93 252.027 -76.6438 252.028 -231.795 41.3357 -76.6438 41.3364 433.763 GPRESSURE: 31400 106.188 64.6055 -114.536 216.666 -102.048 47.5982 16.6213 159.139 399.843 PRESSAVG: 31400 35.3062 -27.5807 2.01225 -27.5808 -84.3257 -57.5293 2.0122 -57.5292 8.63609 GPRESSAVG: 31400 34.9749 -27.1963 2.44345 -27.9302 -83.7672 -58.5359 2.39327 -59.6049 8.42106 TIMING: 31400 CPU: 97.7915, 0.00310594/step Wall: 97.7915, 0.00310594/step, 4.28672 hours remaining, 223.242188 MB of memory in use. ENERGY: 31400 4065.5794 20515.2851 14575.4885 234.8751 -203200.5465 3074.8498 0.0000 0.0000 51795.0503 -108939.4183 297.6669 -160734.4686 -108587.6079 298.7350 104.6328 134.6611 764393.1315 -13.4611 -13.4571 PRESSURE: 31600 170.623 -133.706 -228.752 -133.706 303.317 26.7775 -228.751 26.7767 -378.057 GPRESSURE: 31600 258.878 -97.6588 -215.676 -151.383 181.751 75.189 -78.2403 -36.2874 -273.905 PRESSAVG: 31600 55.0997 -27.1809 43.5614 -27.181 -15.8482 -36.0643 43.5614 -36.0643 -23.7466 GPRESSAVG: 31600 54.9626 -28.438 44.8598 -26.5557 -16.8983 -34.8883 43.5368 -35.9234 -22.0911 TIMING: 31600 CPU: 98.4135, 0.00311011/step Wall: 98.4135, 0.00311011/step, 4.2923 hours remaining, 223.242188 MB of memory in use. ENERGY: 31600 3961.0802 20690.1517 14578.0047 272.4025 -203050.9669 2674.7431 0.0000 0.0000 51787.6113 -109086.9733 297.6241 -160874.5846 -108732.9755 298.4410 31.9610 55.5747 761698.6458 5.1683 5.3244 PRESSURE: 31800 -203.707 -64.7662 90.2009 -64.7658 -307.953 60.3348 90.2007 60.3338 73.8358 GPRESSURE: 31800 -84.6932 -65.4158 39.2132 -110.658 -284.199 82.0109 241.399 -72.1724 13.5021 PRESSAVG: 31800 7.51388 -74.3819 -21.8794 -74.382 7.45741 -41.1096 -21.8795 -41.1096 -14.251 GPRESSAVG: 31800 8.19379 -73.9053 -23.799 -74.8343 7.66996 -41.387 -22.1228 -41.1199 -14.9838 TIMING: 31800 CPU: 99.038, 0.00312214/step Wall: 99.038, 0.00312214/step, 4.30872 hours remaining, 223.242188 MB of memory in use. ENERGY: 31800 4084.2916 20542.7668 14573.3814 241.3966 -203161.8313 2916.9068 0.0000 0.0000 51801.7261 -109001.3620 297.7052 -160803.0881 -108654.3518 298.6468 -145.9415 -118.4633 764179.3601 0.2401 0.2933 PRESSURE: 32000 126.598 -78.8085 19.5461 -78.8091 -241.893 -153.309 19.5463 -153.309 110.327 GPRESSURE: 32000 115.858 -62.598 98.6911 0.794296 -239.547 -115.521 -50.0823 -139.884 193.827 PRESSAVG: 32000 53.9628 -0.640156 -5.17225 -0.640167 -58.6987 -33.2353 -5.17224 -33.2353 7.49772 GPRESSAVG: 32000 53.1034 -0.977635 -4.71339 -1.3474 -58.2685 -31.7676 -6.44107 -32.8024 8.24969 TIMING: 32000 CPU: 99.6609, 0.00311453/step Wall: 99.6609, 0.00311453/step, 4.29805 hours remaining, 223.242188 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: 32000 3931.6183 20401.2245 14560.5925 246.4916 -202750.7228 2587.9651 0.0000 0.0000 52088.1698 -108934.6609 299.3514 -161022.8307 -108563.8531 298.6192 -1.6562 23.3793 763066.6912 0.9206 1.0282 PRESSURE: 32200 -37.1745 -126.937 97.9109 -126.936 121.297 -292.237 97.9113 -292.238 27.6161 GPRESSURE: 32200 -92.9904 -74.8783 102.498 -153.857 195.983 -325.678 66.9288 -202.178 73.9196 PRESSAVG: 32200 18.2159 -7.96788 -25.7941 -7.96781 -8.40787 -17.6728 -25.7941 -17.6727 6.76518 GPRESSAVG: 32200 17.7466 -8.05791 -24.8269 -8.04369 -8.24143 -17.7222 -24.7022 -19.5054 6.37876 TIMING: 32200 CPU: 100.281, 0.00310134/step Wall: 100.281, 0.00310134/step, 4.27968 hours remaining, 223.242188 MB of memory in use. ENERGY: 32200 3975.4596 20474.2593 14557.7396 250.5556 -203086.5941 3181.6395 0.0000 0.0000 51796.0664 -108850.8741 297.6727 -160646.9406 -108502.6935 298.7095 37.2463 58.9706 766091.6469 5.5244 5.2947 LDB: ============= START OF LOAD BALANCING ============== 112.758 LDB: ============== END OF LOAD BALANCING =============== 112.758 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 112.76 LDB: ============= START OF LOAD BALANCING ============== 113.073 LDB: Largest compute 6997 load 0.029776 is 15.3% of average load 0.194242 LDB: Average compute 0.004345 is 2.2% of average load 0.194242 LDB: TIME 113.076 LOAD: AVG 0.194242 MAX 0.218918 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 222.914 MB LDB: TIME 113.077 LOAD: AVG 0.194242 MAX 0.218918 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 223.117 MB LDB: TIME 113.077 LOAD: AVG 0.194242 MAX 0.215493 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 223.117 MB LDB: ============== END OF LOAD BALANCING =============== 113.079 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 113.084 PRESSURE: 32400 24.9213 -213.706 -304.209 -213.706 -62.1313 -6.36852 -304.209 -6.3689 -519.395 GPRESSURE: 32400 40.5586 -166.301 -334.872 -240.284 -26.9386 31.4669 -86.7609 -56.6631 -489.775 PRESSAVG: 32400 -27.8343 -36.8729 33.3341 -36.8728 37.9882 -60.2469 33.3342 -60.2469 -8.14651 GPRESSAVG: 32400 -27.9211 -36.5524 33.7274 -38.1654 37.7874 -60.6356 33.431 -58.0278 -7.80327 TIMING: 32400 CPU: 100.918, 0.00318274/step Wall: 100.918, 0.00318274/step, 4.39183 hours remaining, 223.753906 MB of memory in use. ENERGY: 32400 3992.8714 20516.1329 14577.8206 253.6452 -202914.0991 2749.7448 0.0000 0.0000 52299.8898 -108523.9943 300.5682 -160823.8841 -108163.3863 299.9875 -185.5349 -158.7182 765523.4657 0.6691 0.6877 PRESSURE: 32600 -204.79 6.61598 146.236 6.61667 26.7098 -195.35 146.237 -195.351 -399.811 GPRESSURE: 32600 -81.7178 -28.0623 133.453 65.2641 -0.555526 -151.11 121.079 -153.674 -401.281 PRESSAVG: 32600 1.75601 -50.118 60.596 -50.118 -15.4043 -27.4114 60.596 -27.4114 -11.1256 GPRESSAVG: 32600 3.58944 -49.1846 59.298 -48.5753 -16.4167 -27.372 61.0293 -28.338 -11.3559 TIMING: 32600 CPU: 101.538, 0.00310297/step Wall: 101.538, 0.00310297/step, 4.28159 hours remaining, 223.843750 MB of memory in use. ENERGY: 32600 3972.2255 20533.4004 14602.5145 240.5603 -202859.1843 2665.2714 0.0000 0.0000 52311.7476 -108533.4646 300.6363 -160845.2122 -108165.0665 299.7635 -192.6304 -161.1849 764841.6395 -8.2580 -8.0611 PRESSURE: 32800 3.12351 -125.042 7.77387 -125.042 -213.658 -224.139 7.77373 -224.14 -45.0701 GPRESSURE: 32800 63.8021 -142.481 -16.9536 3.89117 -145.113 -274.511 41.8098 -217.763 -90.1016 PRESSAVG: 32800 -26.5628 -21.7921 12.164 -21.7922 14.1719 -34.4157 12.1641 -34.4157 7.93936 GPRESSAVG: 32800 -27.9217 -21.7985 14.4119 -22.7048 14.8008 -35.6126 9.87313 -33.6051 8.25982 TIMING: 32800 CPU: 102.159, 0.0031045/step Wall: 102.159, 0.0031045/step, 4.28352 hours remaining, 223.843750 MB of memory in use. ENERGY: 32800 3984.0171 20574.4919 14575.0757 258.8557 -202874.5468 2880.6645 0.0000 0.0000 52150.3268 -108451.1152 299.7086 -160601.4420 -108091.0938 299.8236 -85.2014 -57.1376 765063.7539 -1.4838 -1.6203 PRESSURE: 33000 -136.777 53.7051 207.63 53.7045 -28.7844 -70.6539 207.631 -70.6544 155.174 GPRESSURE: 33000 -119.236 52.7766 210.097 -55.9993 61.4857 -105.94 303.019 -99.411 122.946 PRESSAVG: 33000 23.4455 33.2818 58.8441 33.2819 -22.7281 -37.5187 58.8441 -37.5187 7.15694 GPRESSAVG: 33000 23.7926 32.5202 58.533 33.589 -22.981 -38.5344 58.8651 -36.5773 6.75726 TIMING: 33000 CPU: 102.783, 0.00311846/step Wall: 102.783, 0.00311846/step, 4.30261 hours remaining, 223.843750 MB of memory in use. ENERGY: 33000 3905.7519 20719.2370 14557.3274 238.7173 -203125.0204 2838.7474 0.0000 0.0000 52318.9686 -108546.2709 300.6778 -160865.2394 -108184.7855 299.9997 -3.4624 21.7318 764816.4352 2.6248 2.5229 PRESSURE: 33200 -102.958 -166.643 17.8369 -166.643 319.667 -174.628 17.8381 -174.628 -211.074 GPRESSURE: 33200 -175.282 -122.295 115.288 -180.91 372.788 -230.928 9.71957 -145.149 -118.094 PRESSAVG: 33200 -7.33724 8.83034 7.14807 8.83034 -3.11999 -65.8021 7.14808 -65.8022 7.81838 GPRESSAVG: 33200 -7.8473 8.53436 5.64953 9.26607 -3.17722 -65.9294 8.59388 -65.9129 7.83532 TIMING: 33200 CPU: 103.403, 0.00310121/step Wall: 103.403, 0.00310121/step, 4.27864 hours remaining, 223.843750 MB of memory in use. ENERGY: 33200 3981.7732 20503.7163 14543.2484 239.5985 -202676.4985 2825.3714 0.0000 0.0000 52143.4750 -108439.3158 299.6693 -160582.7907 -108071.8779 299.8569 1.8785 26.4706 765111.8940 -0.8796 -1.0631 PRESSURE: 33400 164.786 -20.7913 139.228 -20.7905 -277.386 -202.29 139.228 -202.29 -94.0238 GPRESSURE: 33400 113.602 -18.9938 76.4547 -93.2743 -140.614 -267.225 140.324 -51.1174 -98.3916 PRESSAVG: 33400 12.1848 -36.7423 38.401 -36.7423 -25.452 -18.6632 38.401 -18.6632 -14.2239 GPRESSAVG: 33400 12.3786 -35.5556 37.9359 -36.9371 -24.4001 -16.8742 37.3195 -20.3554 -14.8208 TIMING: 33400 CPU: 104.025, 0.00310886/step Wall: 104.025, 0.00310886/step, 4.28902 hours remaining, 223.843750 MB of memory in use. ENERGY: 33400 3998.7868 20390.2413 14589.6403 253.7669 -203067.6616 3090.7018 0.0000 0.0000 52261.9649 -108482.5596 300.3502 -160744.5245 -108117.2737 299.9428 -68.8745 -41.8012 764998.3880 -9.1637 -8.9475 PRESSURE: 33600 304.068 -43.6585 -13.9975 -43.6585 227.717 54.9048 -13.9981 54.9049 362.272 GPRESSURE: 33600 368.341 9.08721 -22.8346 52.6225 209.024 38.6136 1.84067 87.5304 393.879 PRESSAVG: 33600 -5.56971 -28.3807 8.71239 -28.3807 -5.42075 5.25261 8.71233 5.2526 -13.6514 GPRESSAVG: 33600 -5.45542 -30.4281 7.72762 -27.2975 -6.3685 5.01498 10.1151 5.93318 -13.0505 TIMING: 33600 CPU: 104.647, 0.00310987/step Wall: 104.647, 0.00310987/step, 4.29023 hours remaining, 223.843750 MB of memory in use. ENERGY: 33600 3958.0520 20398.2590 14600.1722 274.7707 -202918.6976 2964.4129 0.0000 0.0000 52318.8016 -108404.2293 300.6769 -160723.0309 -108035.5604 300.3276 298.0193 323.7480 763457.9116 -8.2139 -8.2915 PRESSURE: 33800 89.9633 -98.4642 -116.635 -98.4639 -65.2688 -37.0811 -116.633 -37.0812 273.687 GPRESSURE: 33800 107.372 -20.4566 -75.6081 -54.9281 -51.216 -3.51667 -65.3973 -24.1454 349.877 PRESSAVG: 33800 -35.7779 -5.18036 -41.4937 -5.18035 17.5239 44.5575 -41.4937 44.5575 -0.47102 GPRESSAVG: 33800 -35.8937 -4.72241 -39.18 -3.55956 17.463 44.3042 -42.5252 46.0772 0.0169116 TIMING: 33800 CPU: 105.268, 0.00310483/step Wall: 105.268, 0.00310483/step, 4.28311 hours remaining, 223.847656 MB of memory in use. ENERGY: 33800 3953.6524 20358.8016 14512.4160 248.7602 -202833.5498 3099.3102 0.0000 0.0000 52369.3996 -108291.2099 300.9677 -160660.6095 -107930.8793 300.8086 99.4606 135.3441 763852.0258 -6.2417 -6.1379 PRESSURE: 34000 -69.2297 -149.151 241.615 -149.151 -34.8859 157.163 241.615 157.164 189.332 GPRESSURE: 34000 -28.6695 -177.877 200.703 -165.256 -5.55576 138.059 266.612 176.034 205.911 PRESSAVG: 34000 -21.8866 7.59967 14.5121 7.59969 36.8888 22.4361 14.512 22.436 -9.48759 GPRESSAVG: 34000 -22.5772 9.33389 13.2098 5.60369 37.3999 23.5929 15.7274 21.5624 -9.30026 TIMING: 34000 CPU: 105.887, 0.00309746/step Wall: 105.887, 0.00309746/step, 4.27278 hours remaining, 223.847656 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: 34000 3886.0630 20609.0043 14525.5396 233.0495 -202936.0341 3010.1516 0.0000 0.0000 52171.2697 -108500.9565 299.8290 -160672.2262 -108131.8097 300.3714 28.4054 57.2286 762773.6446 1.8382 1.8408 PRESSURE: 34200 -487.059 66.1149 -123.053 66.1139 -102.793 -107.89 -123.053 -107.891 -451.961 GPRESSURE: 34200 -351.668 78.3532 -76.1169 90.9591 -85.912 -70.8249 -2.29643 -105.63 -534.492 PRESSAVG: 34200 -15.4253 31.8442 17.7906 31.8442 -22.7504 28.5384 17.7906 28.5383 28.8657 GPRESSAVG: 34200 -15.3197 30.8639 18.9954 30.8223 -22.3156 28.1839 17.5064 27.5484 27.8967 TIMING: 34200 CPU: 106.508, 0.00310113/step Wall: 106.508, 0.00310113/step, 4.27767 hours remaining, 224.140625 MB of memory in use. ENERGY: 34200 3994.8926 20608.1609 14485.7397 251.4451 -202445.4611 2563.6397 0.0000 0.0000 51978.0259 -108563.5571 298.7184 -160541.5830 -108190.5637 299.7072 -347.2709 -324.0242 763895.4878 -3.1033 -3.2462 PRESSURE: 34400 -98.2868 -79.8782 3.54499 -79.8776 182.196 -98.3631 3.5449 -98.363 -88.8697 GPRESSURE: 34400 -152.785 -16.9889 -31.1915 -29.4286 312.205 -119.627 122.073 43.23 -112.037 PRESSAVG: 34400 2.43341 2.2413 37.2445 2.24133 -34.3475 40.4035 37.2444 40.4035 -10.6252 GPRESSAVG: 34400 2.146 1.02536 37.0052 2.02872 -34.8522 40.4727 36.9371 41.341 -9.56876 TIMING: 34400 CPU: 107.131, 0.00311789/step Wall: 107.131, 0.00311789/step, 4.3006 hours remaining, 224.257812 MB of memory in use. ENERGY: 34400 3942.4969 20634.5593 14534.2068 254.4393 -203042.4390 2940.6410 0.0000 0.0000 52206.2340 -108529.8618 300.0299 -160736.0958 -108157.6839 299.8165 -1.6533 15.7946 763804.7277 -14.1798 -14.0916 PRESSURE: 34600 -8.24195 -55.7615 2.29266 -55.7614 -83.7257 233.581 2.29163 233.58 -181.954 GPRESSURE: 34600 -22.3964 -37.445 -45.5813 -44.2739 -52.6699 153.761 -27.2091 216.777 -125.798 PRESSAVG: 34600 -25.6273 -17.5951 5.86395 -17.5951 42.2952 -24.6963 5.86402 -24.6964 -5.31231 GPRESSAVG: 34600 -25.5394 -15.6223 6.50356 -16.2345 41.6104 -24.7385 5.13015 -22.4033 -4.70819 TIMING: 34600 CPU: 107.756, 0.00312244/step Wall: 107.756, 0.00312244/step, 4.30671 hours remaining, 224.250000 MB of memory in use. ENERGY: 34600 4018.5142 20517.3111 14526.1832 255.5724 -203131.3921 2984.6129 0.0000 0.0000 52055.6387 -108773.5597 299.1645 -160829.1984 -108420.0526 299.8945 -91.3071 -66.9547 763748.7997 3.7852 3.7876 PRESSURE: 34800 -47.6978 -37.7497 -81.8003 -37.7499 56.1188 44.2046 -81.8005 44.2056 -249.696 GPRESSURE: 34800 -28.2222 -30.7234 -129.623 15.774 153.99 -15.7602 -106.984 42.1107 -293.824 PRESSAVG: 34800 58.0685 -25.4103 10.8733 -25.4102 -13.1032 8.93615 10.8732 8.9362 27.214 GPRESSAVG: 34800 57.8314 -27.4428 10.5536 -25.1887 -12.4749 9.03567 11.1107 5.71302 27.1834 TIMING: 34800 CPU: 108.378, 0.00311358/step Wall: 108.378, 0.00311358/step, 4.29431 hours remaining, 224.250000 MB of memory in use. ENERGY: 34800 3999.7229 20443.6049 14586.7583 251.0465 -203293.6572 3074.0589 0.0000 0.0000 52202.2626 -108736.2031 300.0071 -160938.4657 -108372.1556 299.7103 -80.4249 -56.0188 765918.5500 24.0598 24.1800 PRESSURE: 35000 92.6293 -155.157 -18.0921 -155.157 8.51278 214.338 -18.0926 214.339 -128.146 GPRESSURE: 35000 158.862 -66.4256 13.4965 26.0043 -20.3143 208.053 -94.2502 276.756 -80.0862 PRESSAVG: 35000 -8.57993 6.5259 -63.9411 6.52587 -2.56604 44.2122 -63.9412 44.2122 -20.1128 GPRESSAVG: 35000 -8.67864 5.64249 -63.1071 8.98903 -1.68111 43.7167 -62.9323 45.1912 -21.1991 TIMING: 35000 CPU: 109.001, 0.00311462/step Wall: 109.001, 0.00311462/step, 4.29558 hours remaining, 224.250000 MB of memory in use. ENERGY: 35000 4008.5633 20458.8441 14548.4817 235.1233 -203128.5734 3027.4191 0.0000 0.0000 51976.8296 -108873.3123 298.7116 -160850.1420 -108515.0055 299.1848 -9.0014 19.4872 765120.4744 -10.4196 -10.5196 PRESSURE: 35200 21.9487 11.7111 16.0535 11.7117 -143.04 101.386 16.0536 101.386 -16.9355 GPRESSURE: 35200 96.5845 42.1054 -56.4655 -69.7753 -81.1173 66.1792 -37.1749 178.109 -64.9257 PRESSAVG: 35200 73.4807 15.151 25.0857 15.151 -28.4559 12.4004 25.0857 12.4004 24.8483 GPRESSAVG: 35200 74.1667 17.135 24.0559 12.7654 -29.8742 13.0497 23.6934 13.2414 25.5846 TIMING: 35200 CPU: 109.623, 0.0031077/step Wall: 109.623, 0.0031077/step, 4.28587 hours remaining, 224.269531 MB of memory in use. ENERGY: 35200 3957.7647 20418.1968 14530.3785 247.0978 -203215.8735 3091.0707 0.0000 0.0000 51818.6628 -109152.7021 297.8026 -160971.3649 -108812.1966 298.0993 -46.0090 -16.4862 765438.3401 23.2910 23.2924 PRESSURE: 35400 411.322 51.6721 -210.403 51.6716 227.53 126.551 -210.403 126.551 431.392 GPRESSURE: 35400 410.454 17.6271 -179.667 -76.184 336.254 158.127 -257.489 144.745 385.419 PRESSAVG: 35400 -20.9575 28.2958 -2.12685 28.2957 23.739 11.027 -2.12684 11.027 -11.1085 GPRESSAVG: 35400 -20.9881 26.1042 -1.34339 27.5948 23.4316 9.84731 -0.719031 11.6289 -11.173 TIMING: 35400 CPU: 110.247, 0.00312211/step Wall: 110.247, 0.00312211/step, 4.30557 hours remaining, 224.503906 MB of memory in use. ENERGY: 35400 3912.4031 20642.3645 14552.5272 233.9291 -203464.2515 3315.4422 0.0000 0.0000 51841.6982 -108965.8872 297.9350 -160807.5854 -108614.8947 298.4823 356.7480 377.3759 764666.3171 -2.7757 -2.9098 PRESSURE: 35600 -128.005 141.437 -63.19 141.437 -66.9936 -110.327 -63.1897 -110.327 448.679 GPRESSURE: 35600 -99.2021 130.708 19.9977 25.1701 23.0723 -249.693 -175.453 -83.8807 415.861 PRESSAVG: 35600 21.4468 -27.8309 -56.7166 -27.8309 37.992 18.8838 -56.7166 18.8838 8.164 GPRESSAVG: 35600 21.2683 -25.3468 -58.5313 -28.5739 38.7686 19.9301 -57.0328 18.3531 8.19828 TIMING: 35600 CPU: 110.867, 0.00309971/step Wall: 110.867, 0.00309971/step, 4.27449 hours remaining, 224.492188 MB of memory in use. ENERGY: 35600 3998.8032 20314.8149 14622.7572 260.0234 -203411.7683 3330.5309 0.0000 0.0000 51923.0346 -108961.8041 298.4024 -160884.8387 -108596.4320 298.5488 84.5601 113.2437 764953.2241 22.5343 22.7451 PRESSURE: 35800 -166.479 75.6892 -40.323 75.689 -282.673 299.841 -40.3226 299.843 -188.923 GPRESSURE: 35800 -81.5323 -71.3225 -24.7496 99.4374 -295.008 344.84 -0.353462 226.739 -161.486 PRESSAVG: 35800 29.3549 34.5258 -6.64061 34.5258 -26.7597 -9.31054 -6.64065 -9.31047 15.7554 GPRESSAVG: 35800 31.0017 33.3478 -5.49037 35.5396 -27.4796 -9.42619 -6.48048 -10.3335 14.8189 TIMING: 35800 CPU: 111.489, 0.00310749/step Wall: 111.489, 0.00310749/step, 4.28505 hours remaining, 224.519531 MB of memory in use. ENERGY: 35800 3941.0402 20417.4436 14599.9054 245.5643 -203173.1544 2769.9916 0.0000 0.0000 52229.1157 -108970.0936 300.1614 -161199.2092 -108590.8807 299.3526 -212.6917 -179.3421 765022.2993 6.1168 6.1137 PRESSURE: 36000 -60.5712 -1.18544 104.411 -1.18587 -161.621 -172.45 104.412 -172.45 362.529 GPRESSURE: 36000 51.8528 -39.5112 143.789 99.7575 -140.926 -228.846 11.1485 -125.029 301.828 PRESSAVG: 36000 9.41982 22.8745 -6.1489 22.8745 18.3314 32.273 -6.14892 32.2729 -2.44671 GPRESSAVG: 36000 8.30569 22.8344 -7.19399 22.2431 18.845 32.6666 -6.9434 32.7343 -2.55369 TIMING: 36000 CPU: 112.11, 0.00310928/step Wall: 112.11, 0.00310928/step, 4.28735 hours remaining, 224.535156 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: 36000 3986.2971 20534.5524 14677.0794 242.6688 -203365.2638 3150.1038 0.0000 0.0000 51750.4228 -109024.1397 297.4104 -160774.5624 -108671.8277 298.6638 46.7790 70.9184 763019.4937 8.4348 8.1990 PRESSURE: 36200 -248.851 178.454 -59.6892 178.453 21.486 -227.898 -59.6894 -227.898 -257.922 GPRESSURE: 36200 -190.878 208.176 -86.5692 26.7386 9.12578 -119.893 -85.0562 -121.758 -221.482 PRESSAVG: 36200 -13.4748 -39.221 -25.8146 -39.221 25.1706 -52.4553 -25.8146 -52.4554 3.87422 GPRESSAVG: 36200 -13.7886 -38.4054 -24.7353 -41.0655 25.4784 -52.7659 -24.8539 -52.9948 4.31657 TIMING: 36200 CPU: 112.732, 0.0031086/step Wall: 112.732, 0.0031086/step, 4.28624 hours remaining, 224.535156 MB of memory in use. ENERGY: 36200 4090.7607 20462.7112 14576.8270 250.4287 -203353.5098 3179.2034 0.0000 0.0000 51786.6502 -109006.9286 297.6186 -160793.5788 -108660.7163 298.2961 -161.7622 -134.4115 767619.8350 5.1900 5.3354 LDB: ============= START OF LOAD BALANCING ============== 125.211 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 125.211 LDB: =============== DONE WITH MIGRATION ================ 125.212 LDB: ============= START OF LOAD BALANCING ============== 125.523 LDB: Largest compute 7052 load 0.029249 is 15.1% of average load 0.194160 LDB: Average compute 0.004367 is 2.2% of average load 0.194160 LDB: TIME 125.527 LOAD: AVG 0.19416 MAX 0.21626 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 225.555 MB LDB: TIME 125.527 LOAD: AVG 0.19416 MAX 0.21626 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 225.613 MB LDB: TIME 125.527 LOAD: AVG 0.19416 MAX 0.21626 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 225.613 MB LDB: ============== END OF LOAD BALANCING =============== 125.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 125.535 PRESSURE: 36400 -74.7363 -82.0036 -217.065 -82.0033 -197.073 -50.0554 -217.064 -50.0556 -113.516 GPRESSURE: 36400 -132.071 -53.4586 -208.349 -79.0073 -138.396 -42.124 -177.609 30.26 -50.8402 PRESSAVG: 36400 26.1133 6.39115 -85.5756 6.39117 -18.7633 43.7692 -85.5756 43.7691 -2.2938 GPRESSAVG: 36400 25.8518 5.89041 -85.5244 7.74102 -18.9644 43.9811 -85.4994 44.9273 -1.92923 TIMING: 36400 CPU: 113.369, 0.0031831/step Wall: 113.369, 0.0031831/step, 4.38879 hours remaining, 223.562500 MB of memory in use. ENERGY: 36400 3988.6149 20500.1889 14588.6692 246.5752 -203329.8526 2901.8275 0.0000 0.0000 52430.4697 -108673.5072 301.3186 -161103.9769 -108303.8613 299.4307 -128.4419 -107.1023 765090.9464 1.6854 1.6527 PRESSURE: 36600 -34.08 -138.713 -141.567 -138.712 156.776 179.853 -141.568 179.854 -11.7473 GPRESSURE: 36600 25.0965 -366.4 -76.3651 -105.437 157.143 115.141 -231.161 92.1437 -9.37435 PRESSAVG: 36600 -3.62042 -21.4295 -38.5248 -21.4295 26.6141 56.4099 -38.5249 56.4099 -22.5169 GPRESSAVG: 36600 -2.48777 -23.4778 -38.9812 -21.8668 26.5141 55.6583 -38.0318 57.7838 -23.4476 TIMING: 36600 CPU: 113.992, 0.00311669/step Wall: 113.992, 0.00311669/step, 4.29704 hours remaining, 223.964844 MB of memory in use. ENERGY: 36600 3992.6707 20663.7269 14618.5372 235.8012 -203192.1578 3039.8702 0.0000 0.0000 51918.8305 -108722.7211 298.3782 -160641.5516 -108349.4427 299.7375 36.9828 57.6218 765532.0023 0.1589 0.1929 PRESSURE: 36800 180.731 -28.2832 -191.594 -28.2825 -35.4616 31.1768 -191.594 31.176 -433.53 GPRESSURE: 36800 218.878 13.1605 -219.897 -146.741 -49.1447 11.1327 -137.728 -31.0448 -395.175 PRESSAVG: 36800 -50.6021 -25.1186 -7.54432 -25.1184 30.8822 47.676 -7.54426 47.6759 -14.4023 GPRESSAVG: 36800 -51.4003 -22.9903 -7.82288 -25.4096 29.7302 47.6886 -8.34325 44.8329 -12.9158 TIMING: 36800 CPU: 114.611, 0.00309226/step Wall: 114.611, 0.00309226/step, 4.2632 hours remaining, 224.023438 MB of memory in use. ENERGY: 36800 3958.5340 20531.5621 14606.2703 278.0873 -202891.7538 2656.4476 0.0000 0.0000 52015.1983 -108845.6543 298.9321 -160860.8526 -108477.5363 298.6519 -96.0867 -75.1469 765264.6625 -11.3740 -11.5286 PRESSURE: 37000 -399.143 -140.141 -195.177 -140.14 -83.74 -137.785 -195.179 -137.785 -301.525 GPRESSURE: 37000 -323.832 -126.089 -215.589 -203.04 -84.8745 -206.433 -213.149 -76.5784 -280.95 PRESSAVG: 37000 -11.772 -70.5334 -25.8308 -70.5334 -36.7892 34.3021 -25.831 34.3021 -9.29679 GPRESSAVG: 37000 -11.5045 -68.9196 -26.0616 -68.4748 -34.4427 34.9554 -23.7813 34.7282 -11.4465 TIMING: 37000 CPU: 115.232, 0.00310642/step Wall: 115.232, 0.00310642/step, 4.28255 hours remaining, 224.226562 MB of memory in use. ENERGY: 37000 4066.5956 20617.5773 14613.1499 238.4369 -202799.5955 2686.7066 0.0000 0.0000 51864.8863 -108712.2429 298.0682 -160577.1292 -108353.0721 299.2814 -261.4695 -229.8853 767218.2895 -19.2860 -19.1313 PRESSURE: 37200 -38.5668 -122.764 78.2972 -122.764 195.181 -102.909 78.2973 -102.909 107.199 GPRESSURE: 37200 91.1967 -54.9106 67.2568 -111.106 215.232 -146.659 123.418 -67.7844 49.2341 PRESSAVG: 37200 -26.9811 -63.3669 8.85737 -63.3669 30.6006 13.0641 8.85746 13.0642 -9.69814 GPRESSAVG: 37200 -25.6449 -64.4321 9.66779 -63.9786 29.7293 11.6736 7.0936 14.322 -9.50037 TIMING: 37200 CPU: 115.857, 0.0031241/step Wall: 115.857, 0.0031241/step, 4.30675 hours remaining, 224.226562 MB of memory in use. ENERGY: 37200 4011.3641 20407.7256 14621.3761 264.9698 -203577.1923 3320.2329 0.0000 0.0000 52147.6411 -108803.8828 299.6932 -160951.5239 -108442.2719 298.9905 87.9375 118.5544 765497.7889 -2.0262 -1.8054 PRESSURE: 37400 -129.152 89.8692 -128.148 89.869 -11.6586 82.0966 -128.148 82.0956 -618.785 GPRESSURE: 37400 -89.3745 -42.498 -90.7419 100.988 7.67295 77.6328 -141.548 53.8336 -605.751 PRESSAVG: 37400 5.3098 -52.0411 -17.4913 -52.041 6.0936 42.7241 -17.4913 42.7242 5.37871 GPRESSAVG: 37400 4.47924 -52.6001 -17.0075 -53.3467 7.08001 43.7695 -17.4368 39.7215 5.37877 TIMING: 37400 CPU: 116.475, 0.00309329/step Wall: 116.475, 0.00309329/step, 4.2641 hours remaining, 224.226562 MB of memory in use. ENERGY: 37400 3948.5590 20368.8936 14580.7356 244.7407 -203139.6049 2888.9004 0.0000 0.0000 52230.2989 -108877.4767 300.1682 -161107.7756 -108507.6699 299.0184 -253.1986 -229.1510 767371.8030 5.5940 5.6460 PRESSURE: 37600 -25.0508 -101.779 33.2202 -101.779 -1.52656 -94.9105 33.2207 -94.9099 216.304 GPRESSURE: 37600 65.4569 -58.2789 -21.2037 -156.878 46.1785 -19.8574 -91.1935 21.0218 154.273 PRESSAVG: 37600 12.749 -61.0183 -14.7536 -61.0183 15.8313 -31.3965 -14.7536 -31.3965 -0.294638 GPRESSAVG: 37600 13.5649 -61.7295 -17.1644 -60.7595 13.5819 -31.3264 -12.7959 -28.3499 1.01081 TIMING: 37600 CPU: 117.096, 0.00310142/step Wall: 117.096, 0.00310142/step, 4.27513 hours remaining, 224.226562 MB of memory in use. ENERGY: 37600 3910.5818 20523.8695 14641.4864 236.1437 -203495.8919 3309.3686 0.0000 0.0000 52175.0935 -108699.3485 299.8510 -160874.4420 -108341.7928 299.2179 63.2421 88.6362 765325.1184 9.4285 9.3859 PRESSURE: 37800 -221.646 -181.636 -99.913 -181.635 -50.9989 -79.4948 -99.9137 -79.494 -38.9975 GPRESSURE: 37800 -186.655 -203.975 -44.8566 -199.521 115.682 -46.4111 -149.606 -104.834 -160.473 PRESSAVG: 37800 -9.97055 -22.8092 -36.4387 -22.8091 41.0475 65.1986 -36.4388 65.1987 -23.7128 GPRESSAVG: 37800 -10.2048 -23.521 -34.7108 -22.7881 43.0794 64.8666 -38.0792 62.9721 -25.5386 TIMING: 37800 CPU: 117.715, 0.00309486/step Wall: 117.715, 0.00309486/step, 4.26592 hours remaining, 224.226562 MB of memory in use. ENERGY: 37800 3990.5013 20504.1415 14531.1223 254.0006 -203414.7807 3108.7793 0.0000 0.0000 52067.6176 -108958.6180 299.2333 -161026.2356 -108607.8265 298.9426 -103.8807 -77.1488 764967.1227 2.4547 2.4453 PRESSURE: 38000 -237.091 -13.4569 77.7212 -13.457 -335.711 55.4129 77.7214 55.412 -8.67383 GPRESSURE: 38000 -258.796 73.678 -5.18792 -72.3478 -289.992 129.637 108.74 65.3916 40.4378 PRESSAVG: 38000 60.7852 -37.6724 -42.0826 -37.6724 -40.6259 7.78395 -42.0826 7.78394 7.36843 GPRESSAVG: 38000 59.446 -35.2077 -42.1773 -40.5235 -40.2073 8.82013 -40.5076 8.55432 8.33162 TIMING: 38000 CPU: 118.333, 0.00309349/step Wall: 118.333, 0.00309349/step, 4.26386 hours remaining, 224.226562 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: 38000 3987.4429 20587.2435 14611.4562 233.1729 -203381.8063 2801.9788 0.0000 0.0000 52030.1697 -109130.3423 299.0181 -161160.5120 -108756.0840 298.9153 -193.8251 -169.4502 763800.3424 9.1759 9.1901 PRESSURE: 38200 10.6671 -35.1068 399.878 -35.1075 -57.8812 -63.871 399.878 -63.8723 -73.5685 GPRESSURE: 38200 60.6694 8.52627 304.774 25.8221 7.06979 -34.3835 362.188 -47.0651 -109.168 PRESSAVG: 38200 6.5459 -0.963015 6.14386 -0.963113 -24.2718 52.3699 6.14385 52.3698 -13.1278 GPRESSAVG: 38200 7.79713 1.07837 4.59243 0.455368 -25.5955 50.5296 5.59695 50.6072 -13.5938 TIMING: 38200 CPU: 118.953, 0.00310069/step Wall: 118.953, 0.00310069/step, 4.27361 hours remaining, 224.234375 MB of memory in use. ENERGY: 38200 4032.0951 20424.0512 14643.6236 247.7042 -203466.8559 3150.7229 0.0000 0.0000 51777.3575 -109191.3013 297.5652 -160968.6588 -108836.6839 298.2205 -40.2609 -13.8096 766049.2877 -10.2846 -10.4641 PRESSURE: 38400 32.7228 -55.3786 -258.156 -55.379 -291.338 98.603 -258.155 98.6039 -93.3433 GPRESSURE: 38400 42.6287 -7.81537 -192.283 -70.1483 -224.962 133.923 -272.634 95.5775 -95.6164 PRESSAVG: 38400 14.4655 15.3127 -11.9746 15.3127 12.1861 66.76 -11.9746 66.7601 -2.71512 GPRESSAVG: 38400 13.0008 14.2737 -10.9537 14.5938 13.7024 67.3133 -11.0852 68.9208 -3.35866 TIMING: 38400 CPU: 119.576, 0.00311042/step Wall: 119.576, 0.00311042/step, 4.28684 hours remaining, 224.445312 MB of memory in use. ENERGY: 38400 3957.1259 20580.6605 14579.9987 246.9827 -202684.7677 2527.4838 0.0000 0.0000 51960.6339 -108831.8821 298.6185 -160792.5160 -108468.8114 298.2467 -117.3194 -92.6500 765773.7674 7.9788 7.7815 PRESSURE: 38600 118.144 18.2962 82.2929 18.2964 112.216 -164.429 82.2925 -164.429 445.097 GPRESSURE: 38600 139.996 46.2467 32.4117 -57.8952 110.094 -185.586 -71.3966 -212.453 487.326 PRESSAVG: 38600 -27.2799 -20.3566 6.21408 -20.3566 11.83 36.5967 6.21407 36.5968 -6.55959 GPRESSAVG: 38600 -26.6208 -21.3076 5.8067 -17.8615 9.68522 37.2241 2.77572 35.8711 -5.09062 TIMING: 38600 CPU: 120.194, 0.00309161/step Wall: 120.194, 0.00309161/step, 4.26075 hours remaining, 224.429688 MB of memory in use. ENERGY: 38600 3965.0451 20535.4302 14618.4134 255.1268 -203195.7568 3070.3085 0.0000 0.0000 52063.7828 -108687.6500 299.2113 -160751.4328 -108324.5678 298.5707 225.1521 245.8052 764143.2088 -7.3365 -7.3421 PRESSURE: 38800 -256.801 139.409 12.9814 139.41 176.348 391.555 12.9813 391.555 573.618 GPRESSURE: 38800 -228.454 99.6706 -32.4628 132.591 187.234 363.046 36.9665 182.462 604.297 PRESSAVG: 38800 3.90824 44.7453 -5.68599 44.7453 -8.70562 -5.18507 -5.68597 -5.18511 17.0487 GPRESSAVG: 38800 3.48347 44.3154 -6.64205 43.48 -8.89547 -6.76946 -1.22287 -5.34407 17.1845 TIMING: 38800 CPU: 120.816, 0.00311111/step Wall: 120.816, 0.00311111/step, 4.28746 hours remaining, 224.417969 MB of memory in use. ENERGY: 38800 3949.1644 20697.0262 14546.4790 258.9616 -203152.6140 3010.9466 0.0000 0.0000 51979.4182 -108710.6181 298.7264 -160690.0363 -108345.5276 298.7171 164.3885 187.6921 766754.3540 4.0838 3.9242 PRESSURE: 39000 -212.406 -30.5205 -48.8553 -30.5202 -173.538 35.873 -48.8546 35.8734 121.647 GPRESSURE: 39000 -185.859 10.8752 -42.4672 -129.701 -147.659 49.0553 -106.938 11.0155 167.042 PRESSAVG: 39000 2.64234 -17.3843 -10.1262 -17.3843 26.303 26.3002 -10.1262 26.3003 20.409 GPRESSAVG: 39000 3.21713 -17.4034 -6.75279 -17.1099 26.5003 27.309 -13.972 24.6101 20.0475 TIMING: 39000 CPU: 121.44, 0.00312174/step Wall: 121.44, 0.00312174/step, 4.30193 hours remaining, 224.441406 MB of memory in use. ENERGY: 39000 3935.0481 20471.0273 14669.8035 256.7351 -203030.5216 3129.4508 0.0000 0.0000 52160.2737 -108408.1831 299.7658 -160568.4568 -108040.7747 299.3241 -88.0994 -55.4921 766400.0047 16.4514 16.5883 PRESSURE: 39200 -321.855 -52.465 -264.431 -52.466 -44.6002 -96.8966 -264.431 -96.8955 123.505 GPRESSURE: 39200 -146.716 46.1056 -193.658 39.842 -156.411 -162.233 -329.484 41.8513 148.722 PRESSAVG: 39200 -7.72612 -38.4203 -47.1172 -38.4203 -34.0457 0.445526 -47.1172 0.445519 -11.3529 GPRESSAVG: 39200 -6.80306 -37.2162 -48.6915 -38.3551 -34.3661 -0.32943 -45.0537 -0.437142 -11.0335 TIMING: 39200 CPU: 122.063, 0.00311098/step Wall: 122.063, 0.00311098/step, 4.28694 hours remaining, 224.429688 MB of memory in use. ENERGY: 39200 4008.8526 20501.4835 14599.2740 258.6337 -202798.1687 2899.5755 0.0000 0.0000 52121.3670 -108408.9824 299.5422 -160530.3494 -108045.1474 299.4401 -80.9834 -51.4683 766149.6220 -17.7082 -17.4009 PRESSURE: 39400 -152.148 154.843 -108.211 154.843 -221.514 158.622 -108.21 158.621 203.234 GPRESSURE: 39400 -121.979 -56.2305 -66.4867 44.2577 -192.007 274.75 -107.651 127.429 206.041 PRESSAVG: 39400 5.0074 -42.5807 -23.8672 -42.5807 10.8415 -26.2457 -23.8673 -26.2457 -3.25766 GPRESSAVG: 39400 3.80229 -43.7891 -23.1595 -43.59 13.0337 -25.1053 -22.887 -21.6728 -3.93713 TIMING: 39400 CPU: 122.681, 0.00309209/step Wall: 122.681, 0.00309209/step, 4.26073 hours remaining, 224.429688 MB of memory in use. ENERGY: 39400 4053.3019 20552.5187 14588.4299 244.3974 -203020.2989 3082.3606 0.0000 0.0000 52012.6049 -108486.6854 298.9172 -160499.2904 -108130.5584 299.7880 -56.8093 -35.9820 766952.0487 4.1971 4.2996 PRESSURE: 39600 142.415 -125.572 -195.227 -125.572 -409.947 -308.293 -195.227 -308.293 207.475 GPRESSURE: 39600 150.259 -126.481 -137.103 -158.521 -268.389 -188.704 -148.061 -258.436 144.051 PRESSAVG: 39600 2.31554 -12.8749 -21.2167 -12.8749 -27.122 -16.5624 -21.2168 -16.5623 13.4809 GPRESSAVG: 39600 2.61598 -14.2336 -21.488 -11.5466 -27.1463 -16.6249 -22.4657 -17.6427 13.3267 TIMING: 39600 CPU: 123.302, 0.00310455/step Wall: 123.302, 0.00310455/step, 4.27773 hours remaining, 224.417969 MB of memory in use. ENERGY: 39600 3993.0611 20484.0068 14666.8101 269.0281 -202973.8070 2891.2900 0.0000 0.0000 52260.7268 -108408.8841 300.3431 -160669.6109 -108051.3729 299.5479 -20.0191 8.6402 765181.8726 -3.7752 -3.7345 PRESSURE: 39800 50.7342 -103.295 95.4371 -103.294 -303.676 60.2661 95.437 60.2663 256.559 GPRESSURE: 39800 -59.5386 -139.546 58.1401 -96.9843 -143.092 104.85 159.185 -8.52861 300.046 PRESSAVG: 39800 49.0421 11.3426 -14.4586 11.3425 -44.9861 5.1181 -14.4585 5.11815 12.9083 GPRESSAVG: 39800 49.8719 11.3571 -14.7094 11.4936 -45.0058 4.74656 -14.533 1.44145 12.3054 TIMING: 39800 CPU: 123.921, 0.00309507/step Wall: 123.921, 0.00309507/step, 4.26449 hours remaining, 224.429688 MB of memory in use. ENERGY: 39800 3984.3038 20531.6744 14639.8023 242.6335 -202590.0644 2716.9980 0.0000 0.0000 52093.5064 -108381.1460 299.3821 -160474.6524 -108026.7353 299.5674 1.2059 32.4718 766783.6488 5.6548 5.7238 PRESSURE: 40000 -284.303 -64.2723 -216.452 -64.272 -399.652 -58.1652 -216.452 -58.1655 -295.386 GPRESSURE: 40000 -253.728 66.998 -178.259 17.7217 -374.608 16.8581 -292.711 -98.9727 -281.246 PRESSAVG: 40000 12.4565 -0.985099 7.82351 -0.985036 25.9166 28.8954 7.82357 28.8953 14.6299 GPRESSAVG: 40000 11.5296 2.16851 7.75038 -1.56113 25.2835 27.9138 7.11163 33.0922 15.8209 TIMING: 40000 CPU: 124.541, 0.00310208/step Wall: 124.541, 0.00310208/step, 4.27398 hours remaining, 224.441406 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: 40000 3993.5053 20762.2524 14632.1058 261.2546 -202815.9799 2774.5769 0.0000 0.0000 52281.4507 -108110.8342 300.4622 -160392.2849 -107752.3709 300.1436 -326.4473 -303.1939 768556.1707 17.6677 17.5447 PRESSURE: 40200 -298.163 198.858 172.334 198.858 209.265 -211.241 172.333 -211.241 27.6662 GPRESSURE: 40200 -183.622 163.62 131.332 124.164 135.548 -203.879 89.5069 -240.494 63.5085 PRESSAVG: 40200 -14.3562 4.62968 -5.24303 4.62974 69.5102 59.7331 -5.24308 59.733 6.2475 GPRESSAVG: 40200 -14.6967 2.45726 -4.2492 5.29315 69.7607 61.8811 -4.7497 57.8727 6.24296 TIMING: 40200 CPU: 125.162, 0.00310345/step Wall: 125.162, 0.00310345/step, 4.27569 hours remaining, 224.441406 MB of memory in use. ENERGY: 40200 3972.9447 20529.9996 14588.5631 251.7293 -202645.5550 2861.3740 0.0000 0.0000 52028.5860 -108412.3584 299.0090 -160440.9444 -108055.7259 300.2286 -20.4105 5.1447 766148.7143 20.4671 20.4356 LDB: ============= START OF LOAD BALANCING ============== 137.641 LDB: ============== END OF LOAD BALANCING =============== 137.641 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 137.642 LDB: ============= START OF LOAD BALANCING ============== 137.955 LDB: Largest compute 6984 load 0.029390 is 15.1% of average load 0.194131 LDB: Average compute 0.004355 is 2.2% of average load 0.194131 LDB: TIME 137.958 LOAD: AVG 0.194131 MAX 0.215352 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 223.969 MB LDB: TIME 137.958 LOAD: AVG 0.194131 MAX 0.215352 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 224.062 MB LDB: TIME 137.958 LOAD: AVG 0.194131 MAX 0.215352 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 224.062 MB LDB: ============== END OF LOAD BALANCING =============== 137.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 137.965 PRESSURE: 40400 389.38 -279.267 239.716 -279.267 176.289 16.6325 239.716 16.6337 295.108 GPRESSURE: 40400 411.301 -231.496 235.568 -183.897 124.171 33.5668 304.345 19.4341 406.324 PRESSAVG: 40400 6.74669 -18.9527 70.436 -18.9528 -17.5281 -10.8762 70.4359 -10.8761 3.454 GPRESSAVG: 40400 8.08144 -17.3535 69.6181 -20.8716 -18.022 -11.1098 71.1325 -8.45884 3.04923 TIMING: 40400 CPU: 125.799, 0.00318534/step Wall: 125.799, 0.00318534/step, 4.38834 hours remaining, 225.308594 MB of memory in use. ENERGY: 40400 4001.4323 20325.0577 14595.0764 248.0436 -203560.2500 3335.3767 0.0000 0.0000 52480.9348 -108574.3285 301.6087 -161055.2633 -108210.0069 300.0129 286.9256 313.9318 764605.7600 -2.4425 -2.2971 PRESSURE: 40600 -349.688 137.192 105.456 137.191 -209.022 81.2248 105.455 81.2253 -19.2024 GPRESSURE: 40600 -260.647 66.8732 110.142 129.344 -233.467 69.9419 121.731 82.7396 -0.0448793 PRESSAVG: 40600 31.0832 -11.8214 -37.7672 -11.8213 -15.743 -37.9714 -37.7671 -37.9715 23.6361 GPRESSAVG: 40600 30.524 -13.7342 -36.821 -9.27309 -16.1551 -37.3656 -38.3535 -41.6679 24.0493 TIMING: 40600 CPU: 126.419, 0.00310125/step Wall: 126.419, 0.00310126/step, 4.27232 hours remaining, 226.132812 MB of memory in use. ENERGY: 40600 3980.1403 20538.7376 14628.0767 255.8839 -202844.8154 2698.1040 0.0000 0.0000 52025.1468 -108718.7262 298.9892 -160743.8729 -108354.6464 299.5977 -192.6375 -164.7196 766317.9642 12.9921 12.8061 PRESSURE: 40800 -353.898 99.8961 219.969 99.8959 -202.912 138.318 219.968 138.318 -295.904 GPRESSURE: 40800 -312.45 69.4929 192.095 50.9674 -122.152 143.496 88.0944 261.65 -325.987 PRESSAVG: 40800 24.5157 16.4961 -13.4079 16.4961 -44.228 -29.6563 -13.4078 -29.6564 25.9486 GPRESSAVG: 40800 24.8753 17.0957 -14.1582 14.7478 -43.3795 -30.3736 -13.4673 -28.3943 24.536 TIMING: 40800 CPU: 127.037, 0.00308694/step Wall: 127.037, 0.00308694/step, 4.25243 hours remaining, 226.132812 MB of memory in use. ENERGY: 40800 4013.3417 20293.4216 14540.2351 258.7559 -202937.4543 2989.6333 0.0000 0.0000 52056.6515 -108785.4153 299.1703 -160842.0668 -108416.6739 298.7672 -284.2382 -253.5298 767056.4520 2.0787 2.0106 PRESSURE: 41000 -58.2023 129.498 90.9945 129.5 -239.829 -242.717 90.9946 -242.716 225.114 GPRESSURE: 41000 -1.70692 153.053 -1.82016 177.929 -206.86 -240.154 172.666 -10.2165 202.024 PRESSAVG: 41000 17.6 -26.4563 -12.8989 -26.4563 -6.59401 -2.92573 -12.8989 -2.92572 6.82133 GPRESSAVG: 41000 17.2489 -24.7613 -13.8856 -27.0574 -7.63026 -2.11639 -11.7452 -2.53386 7.84142 TIMING: 41000 CPU: 127.657, 0.00310292/step Wall: 127.657, 0.00310292/step, 4.27428 hours remaining, 226.132812 MB of memory in use. ENERGY: 41000 4022.5927 20479.9916 14623.7616 251.7109 -203566.2429 3338.6686 0.0000 0.0000 51949.7508 -108899.7667 298.5559 -160849.5175 -108536.8613 298.9655 -24.3058 -2.1809 766166.3760 5.9424 5.8200 PRESSURE: 41200 167.007 -219.96 253.15 -219.96 -61.9473 -20.3038 253.15 -20.3043 -73.8095 GPRESSURE: 41200 209.733 -326.525 232.334 -209.451 -30.9459 -38.7588 186.618 -80.3701 -48.4288 PRESSAVG: 41200 -15.7828 -19.7337 26.494 -19.7338 9.12342 -32.8716 26.494 -32.8716 7.33563 GPRESSAVG: 41200 -16.0356 -21.8298 26.6931 -16.9488 10.4058 -33.7512 26.3302 -31.6515 6.56425 TIMING: 41200 CPU: 128.278, 0.00310221/step Wall: 128.278, 0.00310221/step, 4.27313 hours remaining, 226.132812 MB of memory in use. ENERGY: 41200 4055.3240 20286.0690 14564.6563 245.6687 -203313.7265 3258.9823 0.0000 0.0000 51823.4959 -109079.5303 297.8303 -160903.0263 -108716.7875 298.4365 10.4168 43.4527 765472.8601 0.2254 0.3115 PRESSURE: 41400 164.686 -117.42 88.9395 -117.42 331.433 73.1474 88.9396 73.148 253.858 GPRESSURE: 41400 221.865 -30.8558 118.219 -39.8262 325.754 106.464 203.904 -81.7673 266.73 PRESSAVG: 41400 -84.54 -51.5163 38.9481 -51.5163 57.0854 -18.6166 38.9481 -18.6166 -15.0652 GPRESSAVG: 41400 -83.54 -50.4726 40.982 -50.9609 56.1196 -17.8318 37.739 -19.9405 -14.8513 TIMING: 41400 CPU: 128.903, 0.00312348/step Wall: 128.903, 0.00312348/step, 4.30225 hours remaining, 226.132812 MB of memory in use. ENERGY: 41400 4002.0725 20451.0241 14529.4579 236.0038 -203612.8816 3256.6224 0.0000 0.0000 51991.2830 -109146.4178 298.7946 -161137.7008 -108772.9303 298.1122 249.9926 271.4495 762774.7105 -14.1733 -14.0906 PRESSURE: 41600 -54.7178 227.355 123.998 227.356 -22.7419 -89.3465 123.998 -89.3464 171.737 GPRESSURE: 41600 -36.48 -7.42555 126.664 106.508 6.42682 -24.9757 188.378 -50.1787 198.61 PRESSAVG: 41600 -36.881 26.4663 81.1063 26.4662 56.541 -50.7591 81.1064 -50.7591 16.491 GPRESSAVG: 41600 -36.9881 24.7325 82.4068 23.9489 56.3364 -50.9098 80.421 -51.5861 16.743 TIMING: 41600 CPU: 129.53, 0.00313961/step Wall: 129.53, 0.00313961/step, 4.32429 hours remaining, 226.132812 MB of memory in use. ENERGY: 41600 3918.5719 20354.5063 14551.2251 250.9212 -202827.0798 2591.1089 0.0000 0.0000 52035.0372 -109125.7092 299.0461 -161160.7464 -108759.5388 298.3287 31.4258 56.1855 764287.8947 12.0503 12.0304 PRESSURE: 41800 -217.401 -241.996 -86.1689 -241.996 29.4335 212.632 -86.1687 212.633 268.779 GPRESSURE: 41800 -129.767 -223.086 53.3541 -145.927 119.491 203.246 73.5871 184.985 183.922 PRESSAVG: 41800 -115.027 -0.537592 46.9989 -0.537583 107.741 20.3967 46.9989 20.3968 -7.50756 GPRESSAVG: 41800 -116.427 -1.05373 45.7446 0.327448 108.97 19.0898 47.3463 19.3821 -7.7721 TIMING: 41800 CPU: 130.15, 0.00309744/step Wall: 130.15, 0.00309744/step, 4.26603 hours remaining, 226.132812 MB of memory in use. ENERGY: 41800 3924.1038 20556.3430 14577.3405 269.4748 -203430.7752 2855.6035 0.0000 0.0000 52371.8637 -108876.0460 300.9818 -161247.9097 -108517.3362 298.4390 26.9372 57.8821 764047.2125 -4.9314 -5.0765 PRESSURE: 42000 -166.501 128.181 120.647 128.181 -249.156 -117.591 120.646 -117.59 207.003 GPRESSURE: 42000 -18.8175 161.194 157.974 106.057 -287.054 -45.0146 181.627 -21.724 208.46 PRESSAVG: 42000 6.42 28.9389 5.31251 28.9389 7.47678 -1.05078 5.31245 -1.05066 -0.386495 GPRESSAVG: 42000 7.1948 31.7352 4.66821 28.15 7.09735 -1.01456 6.64385 2.42418 -0.123431 TIMING: 42000 CPU: 130.77, 0.00310041/step Wall: 130.77, 0.00310041/step, 4.26995 hours remaining, 226.132812 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: 42000 3893.6373 20473.6459 14520.4499 258.2833 -203369.9106 3146.1781 0.0000 0.0000 52125.0973 -108952.6189 299.5637 -161077.7162 -108591.5371 299.0438 -69.5515 -32.4706 764838.1384 4.5034 4.7229 PRESSURE: 42200 -21.813 6.54949 69.1698 6.54971 288.99 -89.5338 69.1687 -89.5337 249.816 GPRESSURE: 42200 21.4225 -2.56715 56.2229 -24.2337 329.005 -23.6197 218.028 -198.415 236.424 PRESSAVG: 42200 36.9269 4.53465 -6.38663 4.53462 -46.784 10.4523 -6.3866 10.4523 -9.0011 GPRESSAVG: 42200 36.6653 -0.0480539 -6.63417 6.63665 -47.4148 11.9296 -4.77701 8.61674 -8.29872 TIMING: 42200 CPU: 131.394, 0.00311819/step Wall: 131.394, 0.00311819/step, 4.29426 hours remaining, 226.132812 MB of memory in use. ENERGY: 42200 3923.5441 20570.4681 14532.5657 248.2431 -203419.4997 3147.0122 0.0000 0.0000 51949.3559 -109048.3107 298.5537 -160997.6666 -108691.3744 298.7156 172.3309 195.6174 763980.5419 -6.2860 -6.3494 PRESSURE: 42400 -60.8432 -92.015 -2.57111 -92.0143 -183.263 -83.8405 -2.57154 -83.8405 381.345 GPRESSURE: 42400 47.2401 -243.215 -51.5263 -68.1023 -135.75 -94.0261 30.9458 -142.662 306.097 PRESSAVG: 42400 16.7993 -23.6225 59.1023 -23.6226 18.5814 -38.8485 59.1022 -38.8486 9.14028 GPRESSAVG: 42400 15.6062 -22.2199 63.3246 -24.6111 20.0965 -40.4856 56.691 -39.1712 8.71554 TIMING: 42400 CPU: 132.019, 0.00312665/step Wall: 132.019, 0.00312665/step, 4.30575 hours remaining, 226.132812 MB of memory in use. ENERGY: 42400 4025.6594 20730.8604 14537.5070 246.8902 -203066.3447 2909.3822 0.0000 0.0000 51831.6763 -108784.3692 297.8774 -160616.0455 -108427.9972 298.4031 45.7464 72.5292 765404.9781 14.8403 14.8061 PRESSURE: 42600 68.7609 -107.316 25.5568 -107.317 -118.47 23.9519 25.5572 23.9521 18.129 GPRESSURE: 42600 -20.7978 65.3338 100.026 -144.203 -14.5742 -10.1641 9.27215 -11.223 65.8253 PRESSAVG: 42600 41.1587 0.68851 32.2976 0.688466 -47.4896 -47.9287 32.2976 -47.9287 -11.2035 GPRESSAVG: 42600 41.2194 3.56429 28.6437 0.147772 -48.0396 -48.4594 32.4173 -46.028 -10.0693 TIMING: 42600 CPU: 132.643, 0.00312019/step Wall: 132.643, 0.00312019/step, 4.29668 hours remaining, 226.132812 MB of memory in use. ENERGY: 42600 4029.7022 20716.8191 14526.0154 271.4099 -203076.2692 2880.2843 0.0000 0.0000 51896.8419 -108755.1965 298.2519 -160652.0384 -108395.6312 298.7892 -10.5267 10.1511 765433.3734 -5.8448 -5.6298 PRESSURE: 42800 -119.672 100.185 160.069 100.185 -63.2735 -0.117262 160.069 -0.117625 293.653 GPRESSURE: 42800 -52.5135 53.1566 128.451 97.2166 -11.2807 49.6754 97.5237 75.1977 270.058 PRESSAVG: 42800 28.3835 -11.6336 67.9605 -11.6335 -20.6468 -25.4181 67.9606 -25.418 -3.69307 GPRESSAVG: 42800 29.2696 -13.8132 68.8844 -12.5763 -20.2776 -23.0991 66.683 -28.7671 -5.09265 TIMING: 42800 CPU: 133.267, 0.00311859/step Wall: 133.267, 0.00311859/step, 4.2943 hours remaining, 226.132812 MB of memory in use. ENERGY: 42800 3990.8597 20530.3703 14618.0282 250.5321 -203046.4097 2956.5213 0.0000 0.0000 52007.3575 -108692.7408 298.8870 -160700.0983 -108341.0301 299.1586 36.9025 68.7546 766090.4601 1.3479 1.2998 PRESSURE: 43000 63.3107 22.5106 237.073 22.51 1.81136 161.665 237.074 161.665 325.348 GPRESSURE: 43000 55.6944 11.5702 256.296 -17.8654 56.0315 100.199 313.405 208.67 358.765 PRESSAVG: 43000 27.4796 -100.862 62.808 -100.862 -16.6567 35.1589 62.8079 35.1588 2.70716 GPRESSAVG: 43000 27.4315 -99.4909 62.1614 -102.146 -17.3746 32.4018 65.4099 38.2675 3.53634 TIMING: 43000 CPU: 133.887, 0.00310216/step Wall: 133.887, 0.00310216/step, 4.27151 hours remaining, 226.140625 MB of memory in use. ENERGY: 43000 3984.1725 20547.3303 14553.2252 229.4610 -202764.2467 2921.0450 0.0000 0.0000 51861.6833 -108667.3293 298.0498 -160529.0126 -108313.1434 299.3879 130.1566 156.8305 765176.5150 4.5100 4.5311 PRESSURE: 43200 165.668 -50.3006 -210.599 -50.3009 231.971 -10.6657 -210.598 -10.6648 226.268 GPRESSURE: 43200 108.616 19.0673 -249.767 -64.1276 267.49 -2.15779 -68.7501 9.87277 318.887 PRESSAVG: 43200 -53.9004 -24.6763 14.5109 -24.6763 29.6415 -8.9856 14.5109 -8.9856 -2.69002 GPRESSAVG: 43200 -55.1245 -24.7572 14.5128 -21.1199 29.6469 -6.95457 13.8258 -10.6752 -1.6807 TIMING: 43200 CPU: 134.509, 0.00310991/step Wall: 134.509, 0.00310991/step, 4.282 hours remaining, 226.132812 MB of memory in use. ENERGY: 43200 3882.5518 20614.5909 14584.6252 264.3212 -202807.7344 2840.6706 0.0000 0.0000 51844.3697 -108776.6048 297.9503 -160620.9746 -108414.3737 298.9600 207.9688 231.6643 764940.7583 -8.9830 -9.0527 PRESSURE: 43400 38.2105 -79.1531 -62.8905 -79.1532 -7.86828 111.199 -62.8911 111.198 -699.542 GPRESSURE: 43400 108.515 -24.7991 18.7825 -111.767 1.99029 194.6 -137.709 67.0392 -682.742 PRESSAVG: 43400 -0.503771 -41.3892 82.8637 -41.3892 -19.59 -2.27429 82.8637 -2.27429 1.88709 GPRESSAVG: 43400 0.728219 -40.0638 83.8488 -43.7899 -17.5933 -2.18768 83.3375 -1.49967 -0.544319 TIMING: 43400 CPU: 135.128, 0.00309322/step Wall: 135.128, 0.00309322/step, 4.25884 hours remaining, 226.132812 MB of memory in use. ENERGY: 43400 4004.0944 20504.1543 14561.9765 248.0749 -202668.9309 2883.8363 0.0000 0.0000 51850.1924 -108616.6022 297.9838 -160466.7946 -108253.6886 299.0225 -223.0665 -190.7457 764859.6936 -6.0689 -5.8031 PRESSURE: 43600 -190.986 13.7409 83.6502 13.7402 -146.288 418.185 83.6499 418.185 171.064 GPRESSURE: 43600 -214.626 15.3214 20.0069 109.27 -55.6151 327.863 94.2279 328.074 192.457 PRESSAVG: 43600 -22.1325 -28.0529 -2.41526 -28.0528 36.6191 -0.629527 -2.41525 -0.629515 -1.34875 GPRESSAVG: 43600 -21.3679 -29.1464 -1.8612 -29.0239 34.3842 -0.942788 -3.70506 -0.855265 -0.16211 TIMING: 43600 CPU: 135.753, 0.00312586/step Wall: 135.753, 0.00312586/step, 4.30362 hours remaining, 226.132812 MB of memory in use. ENERGY: 43600 3945.6364 20546.0695 14559.5161 242.4097 -202865.6174 2923.4824 0.0000 0.0000 52157.0554 -108491.4477 299.7473 -160648.5032 -108132.1210 299.7563 -55.4031 -25.9278 766245.9823 4.3793 4.2848 PRESSURE: 43800 176.886 7.87309 106.917 7.87297 185.3 105.932 106.918 105.933 567.563 GPRESSURE: 43800 111.437 52.5511 17.5916 -38.1937 281.852 131.391 43.607 75.0115 597.108 PRESSAVG: 43800 0.346691 -33.528 -17.8809 -33.528 8.9413 -3.01651 -17.8809 -3.01645 8.96126 GPRESSAVG: 43800 -2.04724 -34.653 -19.8816 -32.6799 9.62108 -2.82445 -15.5053 -2.77759 10.231 TIMING: 43800 CPU: 136.375, 0.00310954/step Wall: 136.375, 0.00310954/step, 4.28097 hours remaining, 226.386719 MB of memory in use. ENERGY: 43800 4019.1308 20489.7422 14570.9295 250.0821 -202606.7885 2931.5119 0.0000 0.0000 52013.5395 -108331.8524 298.9225 -160345.3919 -107973.9904 299.3965 309.9163 330.1323 764470.6358 6.0831 5.9350 PRESSURE: 44000 -4.5995 215.138 -69.1832 215.137 -220.819 -98.1393 -69.1829 -98.1393 301.444 GPRESSURE: 44000 6.89028 179.727 -98.7488 209.373 -174.286 -27.2996 -70.1918 77.0242 327.891 PRESSAVG: 44000 -0.768154 2.71254 -23.4306 2.71254 -28.232 25.2657 -23.4306 25.2657 12.9032 GPRESSAVG: 44000 0.762043 3.78697 -21.9312 2.93997 -28.8221 24.2414 -26.4905 27.4837 12.1764 TIMING: 44000 CPU: 137, 0.00312777/step Wall: 137, 0.00312777/step, 4.3059 hours remaining, 226.390625 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: 44000 3925.8768 20618.8262 14487.7020 246.4452 -202373.8669 2590.2960 0.0000 0.0000 52366.2398 -108138.4810 300.9495 -160504.7207 -107788.3538 299.8300 25.3416 53.4985 765849.6011 -5.3657 -5.2946 PRESSURE: 44200 -40.4313 101.988 -64.6508 101.988 -19.0151 108.553 -64.6503 108.555 71.5485 GPRESSURE: 44200 -3.49758 29.9825 -42.2164 178.075 13.8674 81.167 -60.8045 12.0674 98.5007 PRESSAVG: 44200 32.9097 -31.928 27.8951 -31.928 -17.4107 41.257 27.895 41.2571 -16.5704 GPRESSAVG: 44200 32.6391 -34.6947 29.7004 -29.2772 -16.5119 41.4532 29.3939 39.4381 -17.1255 TIMING: 44200 CPU: 137.626, 0.0031264/step Wall: 137.626, 0.0031264/step, 4.30383 hours remaining, 226.386719 MB of memory in use. ENERGY: 44200 3997.1094 20756.7479 14555.6971 262.2965 -203019.5335 3037.0711 0.0000 0.0000 52010.9233 -108399.6880 298.9075 -160410.6114 -108037.3151 300.3549 4.0341 36.2902 766014.9734 -0.3571 -0.3328 LDB: ============= START OF LOAD BALANCING ============== 150.104 LDB: ============== END OF LOAD BALANCING =============== 150.104 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 150.105 LDB: ============= START OF LOAD BALANCING ============== 150.417 LDB: Largest compute 7010 load 0.029542 is 15.2% of average load 0.194320 LDB: Average compute 0.004345 is 2.2% of average load 0.194320 LDB: TIME 150.42 LOAD: AVG 0.19432 MAX 0.213708 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 227.102 MB LDB: TIME 150.421 LOAD: AVG 0.19432 MAX 0.213708 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 227.305 MB LDB: TIME 150.421 LOAD: AVG 0.19432 MAX 0.213708 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 227.305 MB LDB: ============== END OF LOAD BALANCING =============== 150.423 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 150.428 PRESSURE: 44400 65.4111 14.2226 169.906 14.222 62.0251 3.28289 169.906 3.28316 -82.3839 GPRESSURE: 44400 71.657 -130.498 231.418 -29.786 140.63 89.6163 35.5513 -118.03 -65.2706 PRESSAVG: 44400 31.0992 -19.4303 -22.7464 -19.4302 -34.4627 -22.6631 -22.7464 -22.6631 20.07 GPRESSAVG: 44400 32.1657 -16.6481 -25.1542 -21.6462 -35.2612 -21.2693 -22.0352 -24.6826 20.0049 TIMING: 44400 CPU: 138.262, 0.00318166/step Wall: 138.262, 0.00318166/step, 4.37973 hours remaining, 226.843750 MB of memory in use. ENERGY: 44400 3996.1340 20362.1401 14576.5325 246.0585 -203447.8411 3187.8764 0.0000 0.0000 52302.1034 -108776.9962 300.5809 -161079.0997 -108408.6796 299.5996 15.0174 49.0053 765766.1569 5.5688 5.6365 PRESSURE: 44600 91.3257 41.6933 -46.7484 41.6928 263.396 130.828 -46.7483 130.828 127.432 GPRESSURE: 44600 167.192 31.098 -102.526 32.1112 216.973 88.3687 -7.25075 74.6474 195.378 PRESSAVG: 44600 -14.3307 -0.718113 12.0414 -0.71813 -36.6496 -38.8209 12.0413 -38.8209 13.9998 GPRESSAVG: 44600 -14.6444 -0.275692 12.8731 -2.9161 -36.5372 -40.6672 12.8903 -38.3867 14.4183 TIMING: 44600 CPU: 138.889, 0.00313394/step Wall: 138.889, 0.00313394/step, 4.31386 hours remaining, 227.296875 MB of memory in use. ENERGY: 44600 3903.3332 20380.1090 14645.0689 241.2069 -203494.4534 3311.6923 0.0000 0.0000 52037.6815 -108975.3616 299.0613 -161013.0431 -108608.0067 298.5972 160.7180 193.1810 766060.5789 -12.3268 -12.2544 PRESSURE: 44800 -342.387 95.1726 19.9605 95.1722 80.6332 -95.9662 19.9599 -95.9667 -124.381 GPRESSURE: 44800 -198.677 115.693 31.8427 20.8556 26.3777 -89.0919 11.8735 15.0412 -127.611 PRESSAVG: 44800 37.3655 30.6873 -17.9172 30.6873 -4.31667 -47.8575 -17.9171 -47.8574 -13.6186 GPRESSAVG: 44800 37.4894 29.588 -17.7819 31.707 -3.87354 -46.579 -17.8351 -46.868 -13.9405 TIMING: 44800 CPU: 139.514, 0.00312729/step Wall: 139.514, 0.00312729/step, 4.30454 hours remaining, 227.296875 MB of memory in use. ENERGY: 44800 3967.6380 20543.3843 14549.2612 231.1114 -203241.6562 3152.5172 0.0000 0.0000 52041.6998 -108756.0444 299.0844 -160797.7441 -108405.0216 298.9594 -128.7116 -99.9699 764530.5087 6.4768 6.5585 PRESSURE: 45000 344.412 -199.756 -13.4754 -199.756 -98.1342 91.7283 -13.4746 91.7282 230.759 GPRESSURE: 45000 313.75 -279.1 -54.6681 -172.373 -57.7541 50.5475 -30.7935 119.17 298.131 PRESSAVG: 45000 21.957 -22.6179 -1.55628 -22.6179 0.810734 -11.1419 -1.55625 -11.1419 -0.646685 GPRESSAVG: 45000 21.3597 -22.9623 -1.95976 -22.5024 1.19118 -11.1517 -2.41619 -12.8241 -0.49776 TIMING: 45000 CPU: 140.134, 0.00309796/step Wall: 140.134, 0.00309796/step, 4.26399 hours remaining, 227.285156 MB of memory in use. ENERGY: 45000 4027.8798 20413.9894 14585.6185 256.4992 -203281.6897 3166.7254 0.0000 0.0000 52146.9007 -108684.0767 299.6890 -160830.9775 -108319.4214 298.8594 159.0121 184.7090 766022.9899 7.3737 7.3510 PRESSURE: 45200 36.8447 -266.286 60.6348 -266.286 -10.5611 285.913 60.636 285.914 -199.26 GPRESSURE: 45200 37.7486 -155.402 13.8251 -143.357 -42.1578 348.196 199.996 181.736 -66.8737 PRESSAVG: 45200 13.9786 -15.5335 -1.04872 -15.5335 -5.60173 -20.9917 -1.04868 -20.9917 -25.8316 GPRESSAVG: 45200 13.5716 -13.8217 -0.991672 -15.4046 -4.79708 -21.6124 -0.774422 -20.1198 -25.5246 TIMING: 45200 CPU: 140.758, 0.00312013/step Wall: 140.758, 0.00312013/step, 4.29434 hours remaining, 227.285156 MB of memory in use. ENERGY: 45200 4013.1664 20390.1574 14591.8971 258.7466 -203326.9197 2974.6346 0.0000 0.0000 52244.0481 -108854.2695 300.2473 -161098.3176 -108495.1527 298.8357 -57.6589 -23.7610 764909.2725 -5.8182 -5.5834 PRESSURE: 45400 73.61 -84.2284 -114.502 -84.2289 -46.4189 99.0092 -114.501 99.0096 192.958 GPRESSURE: 45400 143.863 -107.432 -56.4837 17.1253 -22.1148 43.13 -94.154 65.237 165.985 PRESSAVG: 45400 -13.7696 -20.0854 -45.6101 -20.0853 36.9079 17.9726 -45.6101 17.9726 19.2244 GPRESSAVG: 45400 -12.131 -18.4945 -45.0262 -18.7106 36.3863 17.8462 -45.5485 18.7169 19.2704 TIMING: 45400 CPU: 141.377, 0.00309597/step Wall: 141.377, 0.00309597/step, 4.26092 hours remaining, 227.296875 MB of memory in use. ENERGY: 45400 3899.8331 20280.7519 14552.5312 241.4821 -203181.7504 3060.6588 0.0000 0.0000 52151.2917 -108995.2015 299.7142 -161146.4932 -108630.3428 299.0499 73.3829 95.9110 764605.8535 14.1209 14.5086 PRESSURE: 45600 -262.528 45.6424 13.2548 45.643 293.632 4.20152 13.2544 4.20151 -48.6131 GPRESSURE: 45600 -121.063 -21.1537 39.5063 129.225 229.584 56.7389 -65.9407 87.3423 -37.6573 PRESSAVG: 45600 23.321 24.0654 17.034 24.0654 -23.3332 25.5751 17.0339 25.5751 -6.60367 GPRESSAVG: 45600 23.4975 20.0291 18.0422 23.1561 -23.0973 25.1988 15.4541 27.6076 -6.93148 TIMING: 45600 CPU: 142, 0.00311611/step Wall: 142, 0.00311612/step, 4.28847 hours remaining, 227.296875 MB of memory in use. ENERGY: 45600 4101.6419 20489.0255 14540.2092 252.7759 -203336.7912 3177.1851 0.0000 0.0000 51803.2461 -108972.7074 297.7140 -160775.9535 -108627.0446 298.8815 -5.8363 23.6212 764717.4252 -2.2053 -2.1771 PRESSURE: 45800 -2.00863 106.526 -17.2332 106.525 286.398 -71.8769 -17.2334 -71.8768 -137.641 GPRESSURE: 45800 -44.8888 119.718 -44.1624 46.4212 364.214 -83.6258 -73.5318 -130.891 -91.2741 PRESSAVG: 45800 -7.77969 -3.43581 -28.6418 -3.43579 -13.3652 -0.431256 -28.6418 -0.431319 6.70399 GPRESSAVG: 45800 -8.31775 -2.23655 -30.7804 -4.82808 -13.5816 1.33291 -25.7975 -2.97143 7.53735 TIMING: 45800 CPU: 142.624, 0.00312012/step Wall: 142.624, 0.00312012/step, 4.2938 hours remaining, 227.296875 MB of memory in use. ENERGY: 45800 3990.0749 20452.3790 14545.7610 250.3655 -203282.8220 3247.8093 0.0000 0.0000 51683.4956 -109112.9367 297.0258 -160796.4323 -108764.9793 298.3296 48.9160 76.0170 765655.5558 -4.8136 -4.7873 PRESSURE: 46000 115.851 -6.34333 161.199 -6.34295 125.719 -258.156 161.199 -258.156 -296.572 GPRESSURE: 46000 17.8957 46.0802 113.078 5.6362 195.923 -260.703 236.752 -168.8 -199.983 PRESSAVG: 46000 2.46094 43.3405 30.2223 43.3405 10.2542 -38.1433 30.2223 -38.1433 3.98774 GPRESSAVG: 46000 2.04994 42.2467 30.1798 44.5443 9.84554 -37.8807 30.0997 -39.5047 4.45767 TIMING: 46000 CPU: 143.245, 0.00310219/step Wall: 143.245, 0.00310219/step, 4.26896 hours remaining, 227.296875 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: 46000 3942.8092 20334.3535 14538.5163 243.0675 -203304.3148 3070.8830 0.0000 0.0000 51930.2338 -109244.4515 298.4438 -161174.6853 -108878.8566 297.7094 -18.3344 4.6119 765057.8427 5.5676 5.4510 PRESSURE: 46200 148.131 20.0164 -105.707 20.0167 31.2111 -184.294 -105.707 -184.294 9.88763 GPRESSURE: 46200 285.579 84.657 -120.483 95.5625 10.3115 -112.867 -216.569 -149.696 -14.1901 PRESSAVG: 46200 33.6466 -17.1533 28.5796 -17.1532 7.93434 -15.2207 28.5796 -15.2206 -1.8225 GPRESSAVG: 46200 33.9605 -14.2396 30.5546 -18.145 7.56808 -14.7958 26.1078 -14.6007 -2.35238 TIMING: 46200 CPU: 143.867, 0.00310903/step Wall: 143.867, 0.00310903/step, 4.2782 hours remaining, 227.296875 MB of memory in use. ENERGY: 46200 4009.6339 20473.0989 14538.4936 238.7823 -203119.3713 3125.7056 0.0000 0.0000 51653.4514 -109080.2056 296.8531 -160733.6571 -108732.2516 297.6584 63.0766 93.9002 763048.4574 13.2528 13.0587 PRESSURE: 46400 -41.8424 -21.956 16.6146 -21.9559 -153.925 -27.5792 16.615 -27.5788 43.9856 GPRESSURE: 46400 -15.0878 -69.5501 -67.1337 -93.8319 -83.1285 -61.3176 159.37 -13.0752 7.60044 PRESSAVG: 46400 -33.3308 38.0202 -23.8887 38.0201 -39.3492 13.569 -23.8886 13.569 -4.97418 GPRESSAVG: 46400 -32.2879 36.5437 -24.3316 38.8634 -39.3989 12.2641 -23.0059 15.4731 -5.85092 TIMING: 46400 CPU: 144.495, 0.00314264/step Wall: 144.495, 0.00314264/step, 4.32427 hours remaining, 227.285156 MB of memory in use. ENERGY: 46400 3926.4560 20609.8441 14512.7796 247.0017 -202655.1996 2547.4229 0.0000 0.0000 51939.4404 -108872.2549 298.4967 -160811.6953 -108512.2633 298.6726 -50.5938 -30.2053 764960.9836 -25.8847 -25.8459 PRESSURE: 46600 -218.163 -10.1967 -36.5377 -10.1966 -6.67283 119.763 -36.5373 119.763 -174.006 GPRESSURE: 46600 -245.511 61.6294 -29.533 51.985 77.1297 127.24 -31.8411 -4.26742 -165.94 PRESSAVG: 46600 8.89916 -33.6795 3.93387 -33.6795 -5.50161 22.5518 3.93387 22.5519 -4.42634 GPRESSAVG: 46600 6.97823 -34.8694 2.42043 -32.8564 -3.5577 23.5379 4.10532 22.1538 -4.03984 TIMING: 46600 CPU: 145.12, 0.00312265/step Wall: 145.12, 0.00312265/step, 4.29659 hours remaining, 227.285156 MB of memory in use. ENERGY: 46600 3971.5404 20450.3145 14595.7113 233.8689 -203056.0198 2918.9320 0.0000 0.0000 52072.2345 -108813.4182 299.2598 -160885.6527 -108450.8833 298.8106 -132.9471 -111.4407 766579.5026 -0.3429 -0.2064 PRESSURE: 46800 -157.752 -102.361 73.1289 -102.362 61.474 19.0876 73.1295 19.0889 -279.822 GPRESSURE: 46800 -109.471 -3.59079 -35.7098 -183.294 44.2899 -0.755823 86.3789 -2.69911 -211.269 PRESSAVG: 46800 -23.0329 14.0189 -11.4659 14.0189 -0.148812 10.4843 -11.4659 10.4843 -13.159 GPRESSAVG: 46800 -22.7546 13.7722 -11.6468 14.3645 -0.715701 9.17236 -9.51022 8.69677 -12.8764 TIMING: 46800 CPU: 145.743, 0.00311442/step Wall: 145.743, 0.00311442/step, 4.28509 hours remaining, 227.285156 MB of memory in use. ENERGY: 46800 3904.0220 20547.1127 14531.5939 265.9191 -202971.2590 2964.5929 0.0000 0.0000 52087.2256 -108670.7927 299.3460 -160758.0183 -108310.1919 299.6036 -125.3665 -92.1498 766123.8381 -12.1136 -12.1156 PRESSURE: 47000 -2.46812 127.033 151.784 127.031 124.544 161.831 151.784 161.831 336.976 GPRESSURE: 47000 -3.23556 121.79 214.268 92.5871 242.671 224.105 109.712 151 276.664 PRESSAVG: 47000 33.5246 13.5492 17.592 13.5491 2.1357 -40.119 17.5919 -40.1189 20.5665 GPRESSAVG: 47000 34.6241 14.7638 19.1269 13.7464 1.54238 -40.2822 14.1908 -39.3561 20.3559 TIMING: 47000 CPU: 146.365, 0.00311378/step Wall: 146.365, 0.00311378/step, 4.28404 hours remaining, 227.285156 MB of memory in use. ENERGY: 47000 3936.3060 20547.7622 14542.9000 260.7877 -203145.3991 2975.5290 0.0000 0.0000 52300.6122 -108581.5020 300.5723 -160882.1143 -108230.1520 299.4944 153.0172 172.0332 765864.1016 18.7423 18.8408 PRESSURE: 47200 -88.8634 -25.2405 -4.62239 -25.241 -332.686 7.0657 -4.62189 7.06652 -99.8936 GPRESSURE: 47200 -96.0151 16.0556 -8.20598 81.0918 -264.801 23.9934 -53.1615 -119.884 -74.1964 PRESSAVG: 47200 57.0125 15.6633 61.133 15.6634 -52.648 -31.5349 61.1331 -31.5349 2.15317 GPRESSAVG: 47200 57.162 15.9814 61.3959 16.3976 -51.6792 -31.2378 58.6794 -31.6432 1.4063 TIMING: 47200 CPU: 146.996, 0.00315352/step Wall: 146.996, 0.00315352/step, 4.33854 hours remaining, 227.285156 MB of memory in use. ENERGY: 47200 3979.9218 20662.5955 14554.1223 247.4445 -202505.5981 2477.8056 0.0000 0.0000 52061.5185 -108522.1899 299.1983 -160583.7084 -108161.1018 299.7761 -173.8144 -145.0043 766679.3682 2.1726 2.2963 PRESSURE: 47400 378.816 -48.6619 58.8828 -48.6611 27.1885 -97.1614 58.8832 -97.1616 206.24 GPRESSURE: 47400 472.3 71.871 117.962 -80.876 18.0016 -116.729 34.7966 11.2782 189.992 PRESSAVG: 47400 90.3159 17.8708 86.7999 17.8707 -104.296 -1.80234 86.7999 -1.8024 -4.41778 GPRESSAVG: 47400 90.5318 16.891 87.1563 16.334 -105.71 -2.70463 89.4663 -0.69099 -3.68952 TIMING: 47400 CPU: 147.63, 0.00316851/step Wall: 147.63, 0.00316851/step, 4.35899 hours remaining, 227.296875 MB of memory in use. ENERGY: 47400 4008.2608 20701.7581 14509.1750 248.0991 -203464.5100 3455.7298 0.0000 0.0000 52099.0868 -108442.4005 299.4142 -160541.4873 -108085.0845 299.9890 204.0815 226.7645 764281.2212 -6.1325 -6.2891 PRESSURE: 47600 -182.388 -43.8587 -80.8879 -43.8577 -379.32 -146.157 -80.8875 -146.158 265.785 GPRESSURE: 47600 -205.158 50.6061 -70.0158 -16.1175 -256.203 -189.339 -82.9727 -127.529 250.834 PRESSAVG: 47600 -11.1975 -10.6847 39.2661 -10.6846 -1.65633 -39.8728 39.2661 -39.8728 -3.46422 GPRESSAVG: 47600 -13.061 -10.8464 39.2245 -9.39372 0.3122 -40.4344 39.2082 -40.6182 -3.72819 TIMING: 47600 CPU: 148.254, 0.00312388/step Wall: 148.254, 0.00312388/step, 4.29742 hours remaining, 227.296875 MB of memory in use. ENERGY: 47600 4029.6646 20604.4729 14640.5010 255.7453 -202626.2939 2792.8535 0.0000 0.0000 52026.8173 -108276.2392 298.9988 -160303.0566 -107924.9758 299.9460 -98.6411 -70.1757 766801.4153 -5.4394 -5.4923 PRESSURE: 47800 -79.7153 296.181 142.328 296.181 -250.828 143.072 142.33 143.072 211.581 GPRESSURE: 47800 -229.797 260.047 98.4873 225.616 -87.8459 51.1274 32.4345 218.044 298.608 PRESSAVG: 47800 31.9634 18.8832 57.3436 18.8831 -27.0066 -22.6288 57.3436 -22.6288 -15.8372 GPRESSAVG: 47800 33.9264 18.9525 57.2507 17.0157 -29.1871 -21.6626 57.4765 -23.3097 -14.9148 TIMING: 47800 CPU: 148.876, 0.00310881/step Wall: 148.876, 0.00310881/step, 4.27652 hours remaining, 227.296875 MB of memory in use. ENERGY: 47800 3924.2554 20430.7132 14530.2009 247.3463 -202529.0197 2880.0111 0.0000 0.0000 52074.6844 -108441.8084 299.2739 -160516.4927 -108064.2840 300.1607 -39.6541 -6.3450 765877.0745 -3.6268 -3.3919 PRESSURE: 48000 -244.292 35.8938 47.6284 35.8949 -131.848 -262.392 47.6287 -262.392 -282.276 GPRESSURE: 48000 -214.892 -10.1633 15.6648 77.035 -154.503 -262.266 -9.72459 -217.098 -204.049 PRESSAVG: 48000 18.1063 -7.09448 3.56649 -7.09446 13.3962 15.8937 3.56649 15.8938 -0.260688 GPRESSAVG: 48000 17.3749 -6.99726 2.60524 -5.66092 13.7794 16.5295 3.06074 17.6996 -0.281679 TIMING: 48000 CPU: 149.499, 0.00311315/step Wall: 149.499, 0.00311315/step, 4.28231 hours remaining, 227.285156 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: 48000 4006.1092 20497.5023 14600.1129 257.6179 -202812.3602 2741.5266 0.0000 0.0000 52195.7817 -108513.7096 299.9699 -160709.4913 -108147.3902 299.5885 -219.4718 -191.1480 766495.6151 10.4139 10.2909 PRESSURE: 48200 -124.437 -72.458 162.628 -72.4576 -221.651 -88.2536 162.628 -88.254 -201.981 GPRESSURE: 48200 -103.231 49.288 166.723 -133.409 -234.443 -83.9447 232.601 30.435 -125.039 PRESSAVG: 48200 -14.755 -37.2208 -6.70551 -37.2208 -36.2637 49.6718 -6.70558 49.6717 17.8598 GPRESSAVG: 48200 -13.6548 -35.5875 -6.22324 -38.7611 -35.7858 49.5832 -6.44591 48.9801 17.1921 TIMING: 48200 CPU: 150.119, 0.00310223/step Wall: 150.119, 0.00310223/step, 4.26712 hours remaining, 227.296875 MB of memory in use. ENERGY: 48200 4040.5115 20446.1887 14607.9017 234.4001 -203063.1719 2971.5786 0.0000 0.0000 52088.2269 -108674.3643 299.3518 -160762.5912 -108315.3841 299.0771 -182.6897 -154.2375 765299.8618 -11.0530 -10.7495 LDB: ============= START OF LOAD BALANCING ============== 162.596 LDB: ============== END OF LOAD BALANCING =============== 162.596 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 162.598 LDB: ============= START OF LOAD BALANCING ============== 162.909 LDB: Largest compute 6983 load 0.030077 is 15.5% of average load 0.194328 LDB: Average compute 0.004367 is 2.2% of average load 0.194328 LDB: TIME 162.912 LOAD: AVG 0.194328 MAX 0.214447 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 225.855 MB LDB: TIME 162.912 LOAD: AVG 0.194328 MAX 0.214447 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 225.855 MB LDB: TIME 162.913 LOAD: AVG 0.194328 MAX 0.214447 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 225.855 MB LDB: ============== END OF LOAD BALANCING =============== 162.914 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 162.919 PRESSURE: 48400 121.433 101.373 -181.772 101.373 -352.302 -20.7269 -181.772 -20.7274 -128.478 GPRESSURE: 48400 42.7358 80.4703 -144.669 115.841 -264.72 14.4982 -152.777 67.4787 -55.2041 PRESSAVG: 48400 70.6841 -5.95289 94.1748 -5.95284 -77.0077 -18.619 94.1748 -18.6191 -25.7771 GPRESSAVG: 48400 70.2825 -5.37581 91.6677 -5.4456 -75.7458 -18.5605 95.26 -18.5893 -26.2535 TIMING: 48400 CPU: 150.753, 0.00316974/step Wall: 150.753, 0.00316974/step, 4.3598 hours remaining, 225.636719 MB of memory in use. ENERGY: 48400 4099.4997 20441.1840 14591.3286 251.0096 -202779.0910 2746.1096 0.0000 0.0000 51999.4157 -108650.5438 298.8414 -160649.9595 -108291.4334 299.3856 -119.7824 -92.3961 766005.3827 -10.7003 -10.5723 PRESSURE: 48600 -377.461 -60.971 -178.284 -60.9714 34.8854 47.2984 -178.284 47.2981 -521.968 GPRESSURE: 48600 -367.046 -135.191 -133.643 -159.174 119.917 -21.8831 -130.789 85.2608 -528.428 PRESSAVG: 48600 27.0475 13.6767 27.9473 13.6767 -26.0344 -23.5498 27.9473 -23.5498 20.7267 GPRESSAVG: 48600 27.3844 10.9484 30.5761 13.7763 -26.6191 -24.2193 27.932 -20.864 21.4716 TIMING: 48600 CPU: 151.375, 0.00311046/step Wall: 151.375, 0.00311046/step, 4.27809 hours remaining, 225.671875 MB of memory in use. ENERGY: 48600 3977.5459 20610.4460 14562.7667 248.7543 -203272.1346 3137.2115 0.0000 0.0000 52068.8419 -108666.5682 299.2403 -160735.4101 -108310.6231 299.8351 -288.1811 -258.5190 766400.9426 7.2466 7.4123 PRESSURE: 48800 28.8814 36.1833 -215.554 36.1827 -13.3042 -240.829 -215.554 -240.829 318.07 GPRESSURE: 48800 118.005 92.1438 -163.223 31.7956 43.2907 -236.476 -251.334 -249.305 256.572 PRESSAVG: 48800 -10.7224 -25.4117 17.0315 -25.4117 -2.90051 -27.5722 17.0315 -27.5722 -3.8098 GPRESSAVG: 48800 -11.6811 -23.6127 15.2764 -26.052 -2.02146 -27.8278 18.3873 -28.8836 -3.84369 TIMING: 48800 CPU: 151.997, 0.00310842/step Wall: 151.997, 0.00310842/step, 4.27511 hours remaining, 225.671875 MB of memory in use. ENERGY: 48800 4101.5584 20516.8485 14556.2111 237.5465 -203328.6273 3298.3604 0.0000 0.0000 52234.3318 -108383.7706 300.1914 -160618.1024 -108036.9233 299.6067 111.2157 139.2894 764776.9882 -5.8109 -5.8487 PRESSURE: 49000 -228.32 -73.2885 -43.1471 -73.288 -165.45 241.669 -43.1466 241.668 -116.981 GPRESSURE: 49000 -251.758 -132.648 -6.58697 -33.2733 -31.6772 168.399 -78.7124 249.501 -135.238 PRESSAVG: 49000 -5.16376 -34.6988 -25.3463 -34.6988 -5.05216 -10.5553 -25.3463 -10.5553 -8.17642 GPRESSAVG: 49000 -4.08623 -35.1579 -24.5517 -34.1768 -5.85953 -10.6447 -28.2878 -11.0019 -8.59992 TIMING: 49000 CPU: 152.619, 0.00311213/step Wall: 152.619, 0.00311213/step, 4.28004 hours remaining, 225.671875 MB of memory in use. ENERGY: 49000 4033.9847 20461.0476 14583.9243 241.9570 -202834.7450 2872.0751 0.0000 0.0000 52284.7754 -108356.9809 300.4813 -160641.7563 -107990.6679 299.9462 -170.2503 -139.5578 765194.8449 -6.1308 -6.1819 PRESSURE: 49200 -355.076 8.49141 167.525 8.49109 -345.867 363.811 167.525 363.811 -138.261 GPRESSURE: 49200 -388.686 -11.9668 84.9682 4.58292 -227.552 404.162 207.966 340.152 -138.276 PRESSAVG: 49200 -40.3063 -11.7324 -10.9451 -11.7324 44.3277 13.8584 -10.9452 13.8585 -3.52809 GPRESSAVG: 49200 -41.5367 -12.0004 -11.1958 -10.6186 44.7508 15.2633 -10.9998 13.4279 -2.55122 TIMING: 49200 CPU: 153.241, 0.00310724/step Wall: 153.241, 0.00310724/step, 4.27315 hours remaining, 225.671875 MB of memory in use. ENERGY: 49200 4043.9078 20665.8801 14636.0056 283.3705 -203224.3891 3107.0034 0.0000 0.0000 52133.1678 -108355.0540 299.6100 -160488.2218 -107993.5892 300.4613 -279.7347 -251.5046 764219.1786 0.1644 0.2210 PRESSURE: 49400 236.38 -242.018 -254.661 -242.019 -41.7051 73.8632 -254.661 73.8633 277.179 GPRESSURE: 49400 271.157 -280.418 -241.036 -193.617 49.4389 -48.6773 -144.028 -50.5549 233.454 PRESSAVG: 49400 -4.7532 -29.1248 1.2908 -29.1247 11.5908 72.7425 1.29075 72.7425 21.7186 GPRESSAVG: 49400 -4.39563 -28.6659 1.59126 -28.2483 10.7728 71.526 2.27928 74.1379 21.9305 TIMING: 49400 CPU: 153.864, 0.00311751/step Wall: 153.864, 0.00311751/step, 4.2871 hours remaining, 225.671875 MB of memory in use. ENERGY: 49400 4059.7715 20599.3022 14592.1967 245.6798 -203568.8498 3468.9884 0.0000 0.0000 52092.9601 -108509.9511 299.3790 -160602.9111 -108159.1810 300.1273 157.2845 184.6834 763616.9306 9.5187 9.4359 PRESSURE: 49600 12.0375 65.5691 96.2928 65.5692 12.4212 -59.5444 96.2933 -59.5441 206.155 GPRESSURE: 49600 72.8564 -19.3077 100.266 196.578 -13.0903 -56.7869 114.071 -4.77434 245.644 PRESSAVG: 49600 -31.4624 -6.00876 21.1888 -6.00873 -16.9484 -27.4368 21.1888 -27.4367 -4.55518 GPRESSAVG: 49600 -31.4846 -7.20806 20.9515 -7.05831 -17.2763 -27.7529 21.9769 -28.5127 -4.47224 TIMING: 49600 CPU: 154.488, 0.00311584/step Wall: 154.488, 0.00311584/step, 4.28463 hours remaining, 225.671875 MB of memory in use. ENERGY: 49600 4049.2826 20386.6999 14501.2737 253.4422 -203316.1544 3152.3263 0.0000 0.0000 52501.2466 -108471.8832 301.7254 -160973.1297 -108113.8324 299.6906 76.8713 101.8033 763728.8494 -17.6553 -17.7444 PRESSURE: 49800 278.784 178.597 -301.239 178.597 -14.8089 -32.6595 -301.239 -32.6596 588.911 GPRESSURE: 49800 390.738 161.603 -316.552 134.239 -55.7578 48.7849 -234.132 -99.018 600.727 PRESSAVG: 49800 2.02994 -18.8208 -51.9952 -18.8208 28.2431 -34.68 -51.9952 -34.6799 17.4466 GPRESSAVG: 49800 2.11318 -18.0403 -51.9952 -18.6058 28.3702 -33.4765 -54.567 -34.6882 16.9492 TIMING: 49800 CPU: 155.111, 0.00311838/step Wall: 155.111, 0.00311838/step, 4.28794 hours remaining, 225.671875 MB of memory in use. ENERGY: 49800 3982.0198 20394.4109 14566.8449 239.8297 -203450.3060 3405.3010 0.0000 0.0000 52332.6658 -108529.2340 300.7565 -160861.8997 -108157.7352 300.0246 284.2955 311.9025 763516.3608 15.9065 15.8109 PRESSURE: 50000 49.8667 8.61814 -276.041 8.61852 -120.49 -68.2149 -276.04 -68.2153 131.997 GPRESSURE: 50000 89.4946 -97.2927 -193.77 -53.9358 -37.8767 -12.9973 -258.664 -74.8895 84.7759 PRESSAVG: 50000 -12.8816 -43.0705 -39.7614 -43.0705 46.1648 -23.0386 -39.7614 -23.0387 14.8544 GPRESSAVG: 50000 -12.2638 -44.5433 -38.8014 -43.5743 45.5722 -25.5492 -39.1099 -20.1585 14.9579 TIMING: 50000 CPU: 155.736, 0.00312124/step Wall: 155.736, 0.00312124/step, 4.29171 hours remaining, 225.671875 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: 50000 3979.3902 20355.0626 14634.7792 235.3669 -203169.1647 2865.3529 0.0000 0.0000 52251.6436 -108847.5693 300.2909 -161099.2129 -108480.5509 299.5028 20.4578 45.4646 764208.3453 16.0459 16.0888 PRESSURE: 50200 -220.735 72.4779 187.589 72.4786 5.04448 150.28 187.589 150.28 -176.419 GPRESSURE: 50200 -161.545 107.821 231.875 120.71 -65.9951 117.965 110.049 88.6755 -85.5794 PRESSAVG: 50200 62.4308 -14.7438 -6.74385 -14.7438 -4.23184 -42.8793 -6.7439 -42.8793 2.61261 GPRESSAVG: 50200 63.233 -13.701 -7.13549 -16.9959 -3.84333 -40.5384 -6.73854 -45.3264 1.99014 TIMING: 50200 CPU: 156.358, 0.0031134/step Wall: 156.358, 0.0031134/step, 4.28076 hours remaining, 225.671875 MB of memory in use. ENERGY: 50200 4057.1792 20477.8173 14556.2713 250.4331 -203172.0430 2909.5784 0.0000 0.0000 52064.5852 -108856.1785 299.2159 -160920.7637 -108490.0360 298.8479 -130.7033 -104.3732 765693.4036 20.2705 20.4599 PRESSURE: 50400 312.907 161.789 -102.396 161.789 553.228 25.456 -102.397 25.4555 403.523 GPRESSURE: 50400 332.123 110.225 -119.822 114.33 574.539 27.1947 -149.636 88.32 440.458 PRESSAVG: 50400 44.179 -34.0469 -19.4059 -34.047 -10.3973 -0.901207 -19.406 -0.901219 0.388681 GPRESSAVG: 50400 43.1717 -36.2548 -19.4514 -33.3308 -11.5938 -1.23513 -19.7432 -0.559857 2.04576 TIMING: 50400 CPU: 156.98, 0.00311141/step Wall: 156.98, 0.00311141/step, 4.27784 hours remaining, 225.671875 MB of memory in use. ENERGY: 50400 3887.6494 20359.8016 14585.4840 250.0446 -203138.7770 3173.0989 0.0000 0.0000 52204.4353 -108678.2632 300.0196 -160882.6985 -108326.5208 298.8634 423.2192 449.0399 764541.7803 11.3901 11.2079 PRESSURE: 50600 336.375 -85.6962 195.304 -85.6959 0.584583 -57.7137 195.303 -57.7129 231.074 GPRESSURE: 50600 321.313 -83.6286 228.968 -27.4356 33.41 -85.8252 88.4308 42.9227 278.579 PRESSAVG: 50600 -6.16474 23.74 -38.4867 23.7399 -12.9959 -9.96717 -38.4866 -9.96712 -17.4522 GPRESSAVG: 50600 -5.9284 25.6313 -38.57 23.5432 -11.7624 -11.7343 -37.6049 -9.70189 -19.4528 TIMING: 50600 CPU: 157.604, 0.00311701/step Wall: 157.604, 0.00311701/step, 4.28536 hours remaining, 225.671875 MB of memory in use. ENERGY: 50600 4012.3589 20492.7857 14632.9188 253.7716 -202866.7207 3021.2771 0.0000 0.0000 51834.6944 -108618.9143 297.8947 -160453.6087 -108256.7916 299.1814 189.3445 211.1008 767384.1487 -12.2043 -12.3812 PRESSURE: 50800 265.872 20.0761 32.0394 20.0763 37.5857 191.361 32.0383 191.361 94.8934 GPRESSURE: 50800 301.778 3.98023 -63.3226 -10.4557 -3.08377 236.429 8.53056 210.918 184.516 PRESSAVG: 50800 56.7422 -60.2359 -20.5381 -60.2359 -28.2104 -31.9822 -20.5382 -31.9822 1.75365 GPRESSAVG: 50800 55.2717 -61.3778 -20.7425 -60.0785 -28.4037 -30.5957 -20.6767 -32.4294 3.37176 TIMING: 50800 CPU: 158.228, 0.00311929/step Wall: 158.228, 0.00311929/step, 4.28833 hours remaining, 225.671875 MB of memory in use. ENERGY: 50800 4014.8793 20591.1879 14642.0348 262.0765 -203285.7968 3177.4710 0.0000 0.0000 51934.6905 -108663.4568 298.4694 -160598.1473 -108308.6379 299.2849 132.7837 161.0701 766493.3389 10.0952 10.0799 PRESSURE: 51000 71.5577 -174.45 -177.628 -174.45 -311.072 0.750997 -177.629 0.751148 -411.634 GPRESSURE: 51000 73.4837 -46.5498 -106.236 -86.3684 -240.656 -60.8285 -225.936 43.0035 -374.197 PRESSAVG: 51000 44.9631 -31.1303 -28.1269 -31.1304 -65.0628 -8.73447 -28.1269 -8.73441 22.7106 GPRESSAVG: 51000 45.8673 -30.2002 -28.5104 -30.6118 -65.0999 -8.40754 -27.3973 -8.71795 22.2517 TIMING: 51000 CPU: 158.854, 0.00312987/step Wall: 158.854, 0.00312987/step, 4.30271 hours remaining, 225.671875 MB of memory in use. ENERGY: 51000 4030.0875 20664.5072 14548.2064 247.3681 -203016.7086 2878.4607 0.0000 0.0000 51790.1138 -108857.9652 297.6385 -160648.0789 -108498.7937 299.0782 -217.0491 -180.4563 767169.8569 0.8703 1.0064 PRESSURE: 51200 195.63 211.027 -490.382 211.027 192.635 22.4188 -490.383 22.4206 117.235 GPRESSURE: 51200 199.868 200.16 -440.04 198.799 250.742 -6.15502 -512.637 9.83385 136.249 PRESSAVG: 51200 84.4421 2.62756 -29.4251 2.62753 -61.5151 -7.93598 -29.4251 -7.93598 18.8947 GPRESSAVG: 51200 84.3907 2.89683 -29.145 2.85395 -60.99 -7.7283 -28.0853 -8.76125 18.877 TIMING: 51200 CPU: 159.481, 0.00313438/step Wall: 159.481, 0.00313438/step, 4.30872 hours remaining, 225.671875 MB of memory in use. ENERGY: 51200 4078.2731 20693.5017 14546.0456 239.4731 -203171.4973 2953.6022 0.0000 0.0000 51966.4781 -108694.1234 298.6521 -160660.6015 -108333.5598 299.3534 168.4999 195.6197 763917.6289 13.9405 14.0926 PRESSURE: 51400 9.59844 163.367 -64.4725 163.366 170.753 95.42 -64.4722 95.4198 208.661 GPRESSURE: 51400 139.716 125.284 -151.883 45.5654 155.992 155.873 32.0474 75.7822 181.626 PRESSAVG: 51400 55.4194 -24.3428 -10.995 -24.3428 -33.6842 24.609 -10.995 24.609 8.61507 GPRESSAVG: 51400 55.4252 -26.4756 -11.0661 -24.0217 -33.7462 23.9446 -11.8395 25.3134 8.49519 TIMING: 51400 CPU: 160.106, 0.00312516/step Wall: 160.106, 0.00312516/step, 4.29588 hours remaining, 225.671875 MB of memory in use. ENERGY: 51400 4037.7480 20571.0092 14576.3136 245.9892 -202632.4833 2429.3454 0.0000 0.0000 52153.2633 -108618.8147 299.7255 -160772.0779 -108249.7683 299.5914 129.6709 159.1112 764818.9411 10.1168 10.0581 PRESSURE: 51600 140.472 -56.2411 69.462 -56.242 22.3822 112.616 69.4614 112.617 45.987 GPRESSURE: 51600 115.044 -68.6556 15.924 63.1544 41.5853 136.14 55.2153 301.096 144.76 PRESSAVG: 51600 65.5867 -2.94838 -28.4322 -2.94839 -22.2479 10.1713 -28.4322 10.1714 -3.91593 GPRESSAVG: 51600 66.2981 -2.02203 -27.5741 -2.5547 -23.65 10.8597 -31.8732 11.6647 -3.18948 TIMING: 51600 CPU: 160.731, 0.00312609/step Wall: 160.731, 0.00312609/step, 4.29699 hours remaining, 225.671875 MB of memory in use. ENERGY: 51600 4026.7285 20645.2091 14547.3661 246.3874 -203392.9133 2922.8795 0.0000 0.0000 52069.4562 -108934.8865 299.2439 -161004.3427 -108585.0228 299.1842 69.6136 100.4633 764410.0669 13.1410 13.1529 PRESSURE: 51800 -144.891 -128.239 25.7169 -128.239 2.64885 -105.016 25.7173 -105.016 -9.54154 GPRESSURE: 51800 -148.136 -208.598 8.23455 -113.553 100.36 -105.601 70.2093 -133.265 -14.6659 PRESSAVG: 51800 30.9107 -51.5621 16.1953 -51.5621 -82.0904 -18.6447 16.1952 -18.6448 -2.393 GPRESSAVG: 51800 29.913 -50.9297 15.9701 -50.7675 -80.0529 -19.6917 17.1766 -18.8175 -4.48025 TIMING: 51800 CPU: 161.354, 0.00311828/step Wall: 161.354, 0.00311828/step, 4.28608 hours remaining, 225.671875 MB of memory in use. ENERGY: 51800 3998.6233 20518.3455 14599.8280 247.2036 -203113.6754 2702.1278 0.0000 0.0000 52168.1652 -108879.3820 299.8112 -161047.5472 -108509.1457 298.8567 -50.5946 -20.8138 764783.8174 -17.8576 -18.2067 PRESSURE: 52000 67.8773 -341.656 126.874 -341.655 -28.7041 -118.626 126.874 -118.625 -115.313 GPRESSURE: 52000 63.0768 -278.968 53.0332 -381.72 54.221 -62.8868 163.838 -272.783 -93.8646 PRESSAVG: 52000 -25.788 -17.4132 -34.8342 -17.4132 36.8801 31.3717 -34.8342 31.3717 1.48785 GPRESSAVG: 52000 -24.3931 -17.311 -33.1946 -18.047 34.9272 31.2024 -35.3788 31.2611 2.03891 TIMING: 52000 CPU: 161.977, 0.00311156/step Wall: 161.977, 0.00311156/step, 4.27667 hours remaining, 225.671875 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: 52000 4029.6302 20398.0192 14643.9005 257.8537 -202881.7332 2790.8245 0.0000 0.0000 51882.5161 -108878.9889 298.1695 -160761.5050 -108508.5967 298.9261 -25.3798 7.8111 764584.6953 4.1933 4.1910 PRESSURE: 52200 -23.7342 -28.1029 213.56 -28.1032 150.736 -7.19385 213.561 -7.19363 -245.468 GPRESSURE: 52200 -33.6841 -127.058 147.752 -87.1219 175.155 -22.889 121.531 -20.7102 -190.392 PRESSAVG: 52200 -7.78735 -63.5428 2.09659 -63.5428 -7.10293 -4.5875 2.09658 -4.58748 6.89223 GPRESSAVG: 52200 -8.2927 -64.2397 2.3303 -64.7172 -5.62835 -4.48821 1.07727 -5.00973 6.77153 TIMING: 52200 CPU: 162.599, 0.00311329/step Wall: 162.599, 0.00311329/step, 4.27888 hours remaining, 225.671875 MB of memory in use. ENERGY: 52200 3973.8030 20480.6871 14636.8912 251.0187 -203207.5219 3013.3656 0.0000 0.0000 51961.7594 -108889.9968 298.6249 -160851.7562 -108522.6094 298.8004 -39.4888 -16.3068 764318.1069 -2.6660 -2.3832 LDB: ============= START OF LOAD BALANCING ============== 175.076 LDB: ============== END OF LOAD BALANCING =============== 175.077 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 175.078 LDB: ============= START OF LOAD BALANCING ============== 175.389 LDB: Largest compute 7010 load 0.029631 is 15.2% of average load 0.194325 LDB: Average compute 0.004364 is 2.2% of average load 0.194325 LDB: TIME 175.392 LOAD: AVG 0.194325 MAX 0.219638 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 226.172 MB LDB: TIME 175.393 LOAD: AVG 0.194325 MAX 0.219638 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.172 MB LDB: TIME 175.393 LOAD: AVG 0.194325 MAX 0.214035 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.172 MB LDB: ============== END OF LOAD BALANCING =============== 175.396 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 175.4 PRESSURE: 52400 -416.922 -237.53 -12.3543 -237.531 -232.72 -20.5364 -12.3555 -20.5371 -597.652 GPRESSURE: 52400 -416.041 -270.859 -94.3886 -63.2219 -159.07 -85.6257 30.4972 -35.0046 -590.319 PRESSAVG: 52400 -35.7751 -52.2681 -21.704 -52.2681 8.15401 0.993201 -21.704 0.993264 6.24543 GPRESSAVG: 52400 -35.6089 -51.1507 -23.3189 -53.1648 7.67724 1.26369 -20.6926 0.71512 6.07054 TIMING: 52400 CPU: 163.234, 0.0031743/step Wall: 163.234, 0.0031743/step, 4.36255 hours remaining, 226.367188 MB of memory in use. ENERGY: 52400 4063.5397 20547.7185 14594.6005 229.6353 -202870.7542 2527.1077 0.0000 0.0000 51928.2165 -108979.9360 298.4322 -160908.1525 -108617.8899 298.5093 -415.7647 -388.4767 765021.6522 -7.1252 -7.2870 PRESSURE: 52600 -426.246 -195.728 85.5494 -195.728 41.324 150.26 85.5495 150.26 195.829 GPRESSURE: 52600 -328.594 -76.5324 99.4121 -153.548 74.143 166.9 154.311 64.4695 183.373 PRESSAVG: 52600 37.7396 -20.5331 94.3982 -20.5331 -14.0912 22.1049 94.3983 22.1048 -4.63069 GPRESSAVG: 52600 37.3861 -22.4145 94.3333 -20.2317 -13.4616 23.9898 95.1474 21.5682 -5.18344 TIMING: 52600 CPU: 163.86, 0.00312654/step Wall: 163.86, 0.00312654/step, 4.29673 hours remaining, 226.808594 MB of memory in use. ENERGY: 52600 4007.7566 20457.7267 14560.7894 254.1778 -203168.6773 3036.4303 0.0000 0.0000 51726.4391 -109125.3573 297.2726 -160851.7964 -108759.8411 298.3607 -63.0309 -23.6929 765210.1342 6.3393 6.2470 PRESSURE: 52800 -230.464 81.2284 -186.207 81.2279 155.722 -8.34736 -186.207 -8.34758 -80.7294 GPRESSURE: 52800 -165.913 220.932 -127.983 135.801 142.176 25.7548 -185.244 23.5638 -50.6368 PRESSAVG: 52800 -16.6974 -53.8822 31.0881 -53.8821 26.8594 22.4392 31.0882 22.4392 -17.5869 GPRESSAVG: 52800 -16.382 -51.3476 30.7898 -54.4395 27.0734 19.4831 30.1642 20.6371 -17.5297 TIMING: 52800 CPU: 164.482, 0.00311104/step Wall: 164.482, 0.00311104/step, 4.27525 hours remaining, 226.820312 MB of memory in use. ENERGY: 52800 3967.4929 20340.0242 14618.1643 260.4401 -203492.6613 3211.2335 0.0000 0.0000 51924.6638 -109170.6425 298.4118 -161095.3063 -108805.5798 298.2904 -51.8239 -24.7911 764133.5866 -2.4750 -2.2794 PRESSURE: 53000 -5.15924 -232.573 45.8717 -232.573 -307.974 -52.4391 45.8723 -52.4389 -374.031 GPRESSURE: 53000 -23.9275 -212.309 60.8552 -338.738 -298.117 -70.4432 -63.4038 -21.9895 -281.394 PRESSAVG: 53000 86.4182 -22.3457 -3.61038 -22.3457 -22.2598 -18.5016 -3.61038 -18.5017 -19.8754 GPRESSAVG: 53000 87.8168 -22.3789 -1.8889 -20.8119 -22.714 -17.7233 -5.01415 -16.3789 -21.0917 TIMING: 53000 CPU: 165.101, 0.00309751/step Wall: 165.101, 0.00309751/step, 4.2565 hours remaining, 226.820312 MB of memory in use. ENERGY: 53000 3996.3662 20635.0533 14532.7775 253.9144 -202764.2993 2426.8628 0.0000 0.0000 51807.9612 -109111.3638 297.7411 -160919.3250 -108756.0211 297.5856 -229.0549 -201.1459 764658.1283 14.7610 14.6704 PRESSURE: 53200 26.7246 -20.7659 18.4375 -20.7658 229.422 -203.682 18.438 -203.682 203.116 GPRESSURE: 53200 29.7793 -33.807 -13.1202 -152.795 283.302 -222.093 54.3969 -272.039 217.102 PRESSAVG: 53200 -31.5758 -0.958525 -19.2534 -0.958592 -30.0977 -56.4964 -19.2534 -56.4964 17.8148 GPRESSAVG: 53200 -31.2247 -2.6119 -20.2621 -1.77636 -31.1671 -56.713 -17.3323 -55.6861 18.1869 TIMING: 53200 CPU: 165.721, 0.0030995/step Wall: 165.721, 0.0030995/step, 4.25906 hours remaining, 226.820312 MB of memory in use. ENERGY: 53200 3919.3664 20643.5666 14570.4182 245.0718 -203008.0000 2794.1906 0.0000 0.0000 51911.6167 -108923.7697 298.3368 -160835.3864 -108562.3538 298.3442 153.0876 176.7278 764302.5055 -14.6195 -14.7350 PRESSURE: 53400 -95.6605 58.9634 -108.633 58.9639 -146.699 94.2302 -108.634 94.2295 -372.164 GPRESSURE: 53400 0.376659 -43.408 -114.618 -25.0598 -166.731 19.9025 -153.374 144.444 -356.316 PRESSAVG: 53400 21.4428 4.93324 9.71109 4.93322 -26.2983 -11.8589 9.71106 -11.8589 4.75514 GPRESSAVG: 53400 20.1081 5.08327 10.0989 4.07891 -25.7301 -11.9648 10.4169 -11.5162 5.64684 TIMING: 53400 CPU: 166.341, 0.00310035/step Wall: 166.341, 0.00310035/step, 4.26005 hours remaining, 226.820312 MB of memory in use. ENERGY: 53400 3931.5391 20536.1940 14649.7481 247.2049 -203146.7409 2608.2443 0.0000 0.0000 52218.5420 -108955.2685 300.1007 -161173.8104 -108585.5089 299.2694 -204.8411 -174.2232 764534.2409 -0.0335 0.0083 PRESSURE: 53600 110.465 61.8848 12.9053 61.8842 194.647 69.1794 12.906 69.1786 145.949 GPRESSURE: 53600 244.41 58.6228 26.0169 -64.5421 133.99 149.762 -42.0333 -15.0245 145.684 PRESSAVG: 53600 30.5477 -18.6685 5.70075 -18.6685 -16.1882 24.2718 5.70077 24.2717 -27.6516 GPRESSAVG: 53600 30.7736 -18.8788 5.57402 -15.687 -16.9658 23.4818 6.98654 22.1618 -27.4172 TIMING: 53600 CPU: 166.965, 0.003118/step Wall: 166.965, 0.003118/step, 4.28413 hours remaining, 226.820312 MB of memory in use. ENERGY: 53600 3952.7624 20555.2049 14671.2102 249.7051 -203285.9378 2925.7306 0.0000 0.0000 52240.0956 -108691.2290 300.2245 -160931.3247 -108322.2768 299.1034 150.3540 174.6945 763174.2097 -4.4307 -4.5364 PRESSURE: 53800 -255.163 -281.237 127.45 -281.237 -25.0732 -38.2882 127.45 -38.2865 -465.267 GPRESSURE: 53800 -220.439 -114.298 110.213 -136.219 8.88708 -102.099 54.5112 -11.8582 -446.313 PRESSAVG: 53800 41.5464 -21.6234 7.00332 -21.6234 -23.2728 13.8522 7.00332 13.8521 -17.0625 GPRESSAVG: 53800 42.2602 -19.6021 7.30794 -23.1812 -23.6978 14.9292 5.72518 14.7175 -17.2608 TIMING: 53800 CPU: 167.585, 0.00310298/step Wall: 167.585, 0.00310298/step, 4.26332 hours remaining, 226.820312 MB of memory in use. ENERGY: 53800 3997.9652 20636.5589 14646.3659 235.7987 -203091.3475 2777.8898 0.0000 0.0000 51945.6629 -108851.1061 298.5324 -160796.7690 -108491.5901 299.3263 -248.5011 -219.2885 763999.6687 0.4037 0.4339 PRESSURE: 54000 -20.9452 -165.213 -86.6491 -165.212 -27.5293 283.956 -86.6494 283.955 -198.953 GPRESSURE: 54000 2.97111 -129.76 -27.5377 -148.517 16.7314 252.203 -130.192 230.272 -169.097 PRESSAVG: 54000 23.7362 -4.86031 68.3866 -4.86031 6.7052 20.4042 68.3866 20.4042 -8.07817 GPRESSAVG: 54000 23.3428 -4.62454 68.6289 -5.30674 8.05968 19.9848 65.9339 20.3591 -8.91137 TIMING: 54000 CPU: 168.207, 0.0031051/step Wall: 168.207, 0.0031051/step, 4.26606 hours remaining, 226.820312 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: 54000 3928.6401 20439.1031 14571.3423 244.8524 -202982.9080 2694.7506 0.0000 0.0000 52092.0626 -109012.1571 299.3738 -161104.2196 -108636.0007 299.1896 -82.4758 -49.7981 764886.5316 7.4544 7.4970 PRESSURE: 54200 -47.5431 74.4256 -73.7523 74.4261 -0.6596 -107.11 -73.7522 -107.111 -78.6781 GPRESSURE: 54200 -78.793 7.73953 -40.9511 61.6065 72.1368 37.1214 -98.8785 -169.11 -34.2195 PRESSAVG: 54200 -11.0188 21.5466 38.543 21.5466 12.4334 -47.8771 38.543 -47.8771 9.72678 GPRESSAVG: 54200 -12.6315 20.3961 38.6171 23.0638 13.2018 -47.6067 40.967 -48.3798 10.5925 TIMING: 54200 CPU: 168.831, 0.00312003/step Wall: 168.831, 0.00312003/step, 4.2864 hours remaining, 226.820312 MB of memory in use. ENERGY: 54200 4027.6926 20439.9375 14622.1482 254.2160 -202927.3487 2764.4499 0.0000 0.0000 52034.4830 -108784.4215 299.0429 -160818.9045 -108426.7468 298.7463 -42.2936 -13.6252 765572.2565 3.7138 3.7209 PRESSURE: 54400 112.773 -96.1902 201.251 -96.1904 212.696 177.699 201.251 177.698 -60.1061 GPRESSURE: 54400 154.092 15.7324 156.892 -117.958 312.964 108.729 165.839 189.979 -107.726 PRESSAVG: 54400 -56.5348 -0.178073 16.3274 -0.178077 63.4757 14.6331 16.3274 14.6331 -10.0397 GPRESSAVG: 54400 -54.1964 -0.31955 15.127 -0.983475 63.2936 13.7265 15.4092 14.7815 -11.7235 TIMING: 54400 CPU: 169.452, 0.003109/step Wall: 169.452, 0.003109/step, 4.27108 hours remaining, 226.820312 MB of memory in use. ENERGY: 54400 4015.2299 20392.2646 14577.3740 236.3791 -203410.3679 3101.0962 0.0000 0.0000 52083.6150 -109004.4091 299.3253 -161088.0241 -108635.8237 298.6917 88.4541 119.7765 762981.1372 -1.0329 -0.8754 PRESSURE: 54600 -10.9504 302.223 -98.292 302.223 223.255 139.081 -98.291 139.081 48.3576 GPRESSURE: 54600 107.839 305.945 -11.2309 203.416 90.1683 6.68143 -189.026 178.128 140.56 PRESSAVG: 54600 -48.506 3.4248 -10.3891 3.42486 68.0844 26.8807 -10.389 26.8808 -11.728 GPRESSAVG: 54600 -49.7047 2.67719 -10.4919 2.7873 67.9281 27.0992 -9.01028 28.413 -10.2277 TIMING: 54600 CPU: 170.073, 0.00310417/step Wall: 170.073, 0.00310417/step, 4.26427 hours remaining, 226.820312 MB of memory in use. ENERGY: 54600 3991.6368 20572.9025 14555.1155 260.6568 -203374.9759 2908.3298 0.0000 0.0000 52103.8470 -108982.4874 299.4415 -161086.3344 -108613.7789 298.9563 86.8873 112.8558 763112.3357 2.6168 2.6652 PRESSURE: 54800 -331.204 -356.04 131.679 -356.04 -259.769 195.607 131.678 195.607 -75.8586 GPRESSURE: 54800 -204.553 -193.634 176.387 -284.305 -274.877 173.337 146.499 163.417 -98.8139 PRESSAVG: 54800 -20.1847 -17.4977 17.2963 -17.4976 41.5741 42.9176 17.2963 42.9176 12.2918 GPRESSAVG: 54800 -19.2896 -15.1823 16.6682 -16.0925 40.2055 42.5794 17.7469 42.7236 12.4636 TIMING: 54800 CPU: 170.694, 0.00310414/step Wall: 170.694, 0.00310413/step, 4.26405 hours remaining, 226.820312 MB of memory in use. ENERGY: 54800 3947.3245 20490.4112 14627.9053 259.0449 -203152.2665 2790.1985 0.0000 0.0000 52221.9240 -108815.4580 300.1201 -161037.3820 -108459.5711 298.9099 -222.2771 -192.7480 763669.2209 11.2271 11.1265 PRESSURE: 55000 147.893 -122.503 -29.1919 -122.502 -168.798 -79.1567 -29.1923 -79.1574 13.8502 GPRESSURE: 55000 183.655 -190.102 60.56 -153.854 -88.9102 -44.9197 -0.443086 -96.3471 -6.6296 PRESSAVG: 55000 -8.83889 -76.9952 52.8482 -76.9951 18.7693 -8.03343 52.8482 -8.03348 -1.87663 GPRESSAVG: 55000 -8.43192 -79.7551 53.5332 -76.093 19.8773 -6.46341 50.4451 -8.91217 -3.22316 TIMING: 55000 CPU: 171.319, 0.00312335/step Wall: 171.319, 0.00312335/step, 4.29027 hours remaining, 226.820312 MB of memory in use. ENERGY: 55000 3956.0875 20506.3690 14593.5046 254.8211 -203464.0361 3222.4739 0.0000 0.0000 52312.0607 -108618.7193 300.6381 -160930.7800 -108251.3575 299.6393 -2.3514 29.3719 765615.8178 2.6846 2.7407 PRESSURE: 55200 -319.732 9.78106 -128.148 9.78161 294.033 17.4264 -128.146 17.4266 324.698 GPRESSURE: 55200 -301.277 31.2225 -181.303 19.2196 403.925 -7.53629 -55.3813 -18.377 276.833 PRESSAVG: 55200 -16.0619 -18.476 12.3228 -18.476 -11.0965 -11.6959 12.3228 -11.6959 -42.2368 GPRESSAVG: 55200 -15.9336 -17.5879 10.5857 -21.5922 -12.0817 -11.4168 15.648 -13.1164 -41.2156 TIMING: 55200 CPU: 171.941, 0.00311082/step Wall: 171.941, 0.00311082/step, 4.27289 hours remaining, 226.820312 MB of memory in use. ENERGY: 55200 4030.2422 20602.3811 14601.3997 229.0223 -203312.9536 3105.9473 0.0000 0.0000 52029.4596 -108714.5013 299.0140 -160743.9609 -108354.4213 299.5833 99.6661 126.4937 764830.8119 -23.1317 -23.0769 PRESSURE: 55400 78.5636 -181.255 -108.835 -181.255 -323.799 61.0377 -108.835 61.0381 -620.212 GPRESSURE: 55400 98.9411 -85.7535 -20.8285 -113.926 -285.086 6.22018 -148.343 140.771 -584.597 PRESSAVG: 55400 0.749223 -19.2692 -50.4931 -19.2692 4.88735 7.59589 -50.4931 7.59587 -4.229 GPRESSAVG: 55400 -0.390553 -19.7884 -48.4859 -18.3754 7.32574 6.34695 -52.3616 9.52803 -4.76709 TIMING: 55400 CPU: 172.564, 0.0031173/step Wall: 172.564, 0.0031173/step, 4.28161 hours remaining, 226.820312 MB of memory in use. ENERGY: 55400 3958.3517 20553.7380 14636.4998 254.0773 -202262.6213 2145.8417 0.0000 0.0000 52117.4487 -108596.6641 299.5197 -160714.1128 -108231.5044 299.1001 -288.4825 -256.9141 764594.0533 0.4692 0.7227 PRESSURE: 55600 204.385 -90.9012 35.352 -90.901 -91.2047 -114.431 35.352 -114.43 10.1001 GPRESSURE: 55600 181.284 -86.2063 62.2592 -90.9042 -37.3315 -107.827 65.5063 -134.967 56.6904 PRESSAVG: 55600 -1.49617 -17.0523 -29.8561 -17.0524 14.5821 30.6981 -29.8561 30.6981 -7.43421 GPRESSAVG: 55600 -1.98057 -17.8609 -29.516 -15.5242 13.2886 30.1907 -28.1399 31.4913 -5.89337 TIMING: 55600 CPU: 173.189, 0.00312517/step Wall: 173.189, 0.00312517/step, 4.29224 hours remaining, 226.820312 MB of memory in use. ENERGY: 55600 3983.6656 20593.6555 14600.8707 258.4007 -202797.5682 2556.3339 0.0000 0.0000 51942.4112 -108862.2306 298.5138 -160804.6418 -108494.7858 299.4480 41.0935 66.8811 763796.4924 1.8839 1.8049 PRESSURE: 55800 291.209 37.1655 57.7045 37.1658 -16.1936 -111.795 57.705 -111.795 391.375 GPRESSURE: 55800 332.615 45.5061 -93.1705 29.6365 32.5839 -65.2028 -25.5923 -122.15 378.105 PRESSAVG: 55800 9.91075 -67.2115 41.5268 -67.2115 -1.43937 27.605 41.5268 27.605 -13.4403 GPRESSAVG: 55800 12.3913 -64.4654 38.3376 -70.2666 -2.57523 28.0463 39.3867 27.4193 -15.3417 TIMING: 55800 CPU: 173.814, 0.00312113/step Wall: 173.814, 0.00312113/step, 4.28652 hours remaining, 226.820312 MB of memory in use. ENERGY: 55800 3935.5302 20521.3437 14632.0171 250.5487 -202584.7831 2609.3521 0.0000 0.0000 51858.4729 -108777.5184 298.0314 -160635.9913 -108416.8044 298.9314 222.1299 247.7680 763592.5555 -1.6563 -1.8419 PRESSURE: 56000 99.9295 -163.912 178.86 -163.911 394.767 216.321 178.86 216.321 326.802 GPRESSURE: 56000 98.276 -168.598 204.923 -194.68 402.875 315.55 119.942 148.017 392.02 PRESSAVG: 56000 -21.6396 -34.6828 -3.91596 -34.6827 23.8007 31.1962 -3.91597 31.1962 -31.1145 GPRESSAVG: 56000 -24.4979 -35.7335 -0.958991 -34.728 24.7523 33.7315 -3.62314 30.6606 -29.6531 TIMING: 56000 CPU: 174.443, 0.00314951/step Wall: 174.443, 0.00314952/step, 4.32533 hours remaining, 226.820312 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: 56000 3943.9155 20425.9748 14573.6279 247.7255 -202639.3690 2797.3335 0.0000 0.0000 51982.9465 -108667.8453 298.7467 -160650.7919 -108300.8602 299.0144 273.8328 297.7236 764785.2526 -9.6511 -9.7995 PRESSURE: 56200 -23.7259 -254.921 -7.63013 -254.921 -60.8858 -161.336 -7.6311 -161.337 -5.19583 GPRESSURE: 56200 3.48136 -192.162 79.2798 -198.195 -78.9421 -229.365 -17.456 -103.679 87.6687 PRESSAVG: 56200 -27.3533 -23.972 -1.59527 -23.972 53.3297 38.6533 -1.59526 38.6533 0.307994 GPRESSAVG: 56200 -26.4149 -23.5585 -2.39604 -22.3289 52.3003 37.0835 -1.48959 38.2264 0.979518 TIMING: 56200 CPU: 175.069, 0.00312571/step Wall: 175.069, 0.00312571/step, 4.29246 hours remaining, 226.820312 MB of memory in use. ENERGY: 56200 3967.5008 20614.6143 14557.3125 227.4467 -203106.1867 3080.0121 0.0000 0.0000 51898.7934 -108760.5069 298.2631 -160659.3003 -108405.4828 298.9313 -29.9359 4.0693 764540.3473 8.7615 8.9550 LDB: ============= START OF LOAD BALANCING ============== 187.546 LDB: ============== END OF LOAD BALANCING =============== 187.547 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 187.548 LDB: ============= START OF LOAD BALANCING ============== 187.863 LDB: Largest compute 6982 load 0.029578 is 15.2% of average load 0.194318 LDB: Average compute 0.004361 is 2.2% of average load 0.194318 LDB: TIME 187.866 LOAD: AVG 0.194318 MAX 0.218162 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 228.973 MB LDB: TIME 187.867 LOAD: AVG 0.194318 MAX 0.218162 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 229.07 MB LDB: TIME 187.867 LOAD: AVG 0.194318 MAX 0.216829 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 229.07 MB LDB: ============== END OF LOAD BALANCING =============== 187.869 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 187.874 PRESSURE: 56400 8.82688 -151.286 -110.351 -151.286 85.8238 -61.5906 -110.351 -61.5904 109.575 GPRESSURE: 56400 161.58 -89.5186 -74.2227 -182.769 65.4589 -115.533 -148.406 16.9862 59.2576 PRESSAVG: 56400 -1.79692 -33.9419 -15.6003 -33.942 12.7176 -1.07989 -15.6003 -1.07988 -12.0512 GPRESSAVG: 56400 -0.141561 -30.7654 -15.397 -35.7373 12.767 -2.49159 -14.4155 0.810829 -14.0939 TIMING: 56400 CPU: 175.708, 0.00319903/step Wall: 175.708, 0.00319903/step, 4.39297 hours remaining, 226.410156 MB of memory in use. ENERGY: 56400 4028.2289 20582.1445 14614.0558 246.9762 -203002.1047 2966.9996 0.0000 0.0000 52095.4011 -108468.2987 299.3930 -160563.6998 -108111.2807 299.8400 68.0753 95.4323 763789.6658 -0.3768 -0.4895 PRESSURE: 56600 -334.507 -72.3551 435.752 -72.3544 -39.5987 -103.004 435.752 -103.005 -173.865 GPRESSURE: 56600 -244.383 -4.88209 286.848 -72.8704 -12.4416 -116.375 438.859 -213.011 -214.827 PRESSAVG: 56600 34.3726 -56.8674 0.462862 -56.8674 8.04016 -12.6489 0.462805 -12.649 17.2887 GPRESSAVG: 56600 31.1648 -57.8524 -0.189605 -55.2607 8.70807 -12.054 0.599488 -13.2271 18.6912 TIMING: 56600 CPU: 176.332, 0.00311995/step Wall: 176.332, 0.00311995/step, 4.28421 hours remaining, 226.613281 MB of memory in use. ENERGY: 56600 4038.7291 20570.9397 14614.6583 259.1538 -202934.3919 2807.6369 0.0000 0.0000 52063.6131 -108579.6612 299.2103 -160643.2743 -108223.2733 300.2501 -182.6567 -157.2174 765186.2283 19.9005 19.5213 PRESSURE: 56800 -66.5598 -270.624 -338.208 -270.624 -207.09 -179.976 -338.208 -179.976 -208.63 GPRESSURE: 56800 -48.6533 -231.028 -383.465 -247.047 -177.073 -130.416 -232.337 -158.012 -162.783 PRESSAVG: 56800 44.7526 -28.0197 -21.9463 -28.0196 -25.946 -29.1883 -21.9463 -29.1883 7.74227 GPRESSAVG: 56800 45.9416 -28.0303 -22.3474 -28.3719 -26.6268 -28.1638 -24.5335 -32.1553 7.62303 TIMING: 56800 CPU: 176.954, 0.00310834/step Wall: 176.954, 0.00310834/step, 4.2681 hours remaining, 226.613281 MB of memory in use. ENERGY: 56800 3976.9025 20583.2881 14620.1830 245.3960 -202710.2994 2559.1525 0.0000 0.0000 51961.7504 -108763.6269 298.6249 -160725.3773 -108412.8700 299.3567 -160.7598 -129.5034 764026.0185 8.8496 8.9793 PRESSURE: 57000 -163.841 181.634 18.8042 181.634 -23.931 2.29131 18.8039 2.29114 41.8271 GPRESSURE: 57000 -148.073 205.523 -11.6096 248.241 -0.339603 -51.676 48.7763 2.99994 82.6506 PRESSAVG: 57000 25.2425 -24.2758 11.1446 -24.2758 -91.2248 -5.47882 11.1446 -5.47888 -16.83 GPRESSAVG: 57000 25.1381 -26.7709 10.1326 -25.2426 -90.8652 -5.26029 15.2709 -5.55819 -17.2856 TIMING: 57000 CPU: 177.579, 0.00312378/step Wall: 177.579, 0.00312378/step, 4.28913 hours remaining, 226.613281 MB of memory in use. ENERGY: 57000 4047.2566 20474.3928 14623.3823 245.3490 -202791.7564 2689.0038 0.0000 0.0000 51996.7486 -108715.6233 298.8260 -160712.3720 -108353.0494 298.7666 -48.6481 -21.9208 763263.3218 -27.6041 -27.6709 PRESSURE: 57200 24.9583 43.9028 -225.948 43.9028 262.23 68.1 -225.947 68.0997 63.6608 GPRESSURE: 57200 52.0514 53.0443 -160.778 -49.7053 227.422 134.834 -183.51 3.97432 162.434 PRESSAVG: 57200 -0.613455 -23.1489 18.6292 -23.1488 -17.5874 -29.6274 18.6292 -29.6274 29.3646 GPRESSAVG: 57200 -0.686916 -22.5659 20.7066 -20.2233 -17.7498 -29.4899 16.312 -28.1248 29.603 TIMING: 57200 CPU: 178.203, 0.00312061/step Wall: 178.203, 0.00312061/step, 4.2846 hours remaining, 226.816406 MB of memory in use. ENERGY: 57200 3955.9365 20376.6097 14626.3772 241.6612 -202889.4894 2842.0991 0.0000 0.0000 52103.6741 -108743.1317 299.4405 -160846.8058 -108377.0641 299.1278 116.9496 147.3024 763889.7383 3.7213 3.7221 PRESSURE: 57400 -62.4706 -61.311 120.745 -61.3123 -43.1775 -71.5309 120.744 -71.5316 -107.083 GPRESSURE: 57400 -55.377 -79.579 166.634 61.7681 -20.3617 -104.163 -69.9097 -60.9015 -45.6387 PRESSAVG: 57400 -51.6377 -10.4626 34.0161 -10.4626 45.9857 -59.0948 34.0161 -59.0948 9.377 GPRESSAVG: 57400 -53.1682 -9.71253 34.172 -11.606 46.6554 -59.7652 33.4509 -57.7913 10.4717 TIMING: 57400 CPU: 178.828, 0.0031235/step Wall: 178.828, 0.0031235/step, 4.28839 hours remaining, 226.816406 MB of memory in use. ENERGY: 57400 3961.3172 20503.1527 14582.6211 267.0013 -202936.2463 2853.8718 0.0000 0.0000 52008.9109 -108759.3712 298.8959 -160768.2822 -108391.5929 298.8972 -70.9103 -40.4592 764180.4093 1.2417 1.3196 PRESSURE: 57600 83.3187 87.868 116.177 87.8686 129.717 -126.637 116.177 -126.636 -398.588 GPRESSURE: 57600 119.79 67.9916 57.5627 89.0505 185.995 -114.986 194.374 -60.8195 -409.764 PRESSAVG: 57600 -102.803 -38.1449 -1.14311 -38.1449 73.9207 -7.94793 -1.14313 -7.94799 3.22712 GPRESSAVG: 57600 -101.061 -38.3629 -2.13752 -37.9873 73.4702 -7.94328 -1.59586 -8.93945 2.0994 TIMING: 57600 CPU: 179.453, 0.00312934/step Wall: 179.453, 0.00312934/step, 4.29624 hours remaining, 226.816406 MB of memory in use. ENERGY: 57600 3901.1095 20335.9254 14629.3239 267.6881 -203057.3664 2947.4586 0.0000 0.0000 52171.8410 -108804.0200 299.8323 -160975.8610 -108430.4935 298.7879 -61.8507 -34.6598 764448.4985 -8.5518 -8.4972 PRESSURE: 57800 84.666 -20.0339 12.5216 -20.0344 -107.544 81.937 12.5224 81.9367 -80.7669 GPRESSURE: 57800 117.253 -49.5192 9.54438 25.8571 -27.3427 57.8905 42.8364 184.96 -104.777 PRESSAVG: 57800 28.8606 -77.0368 18.9642 -77.0369 -22.6364 -4.90552 18.9642 -4.90545 -17.864 GPRESSAVG: 57800 28.3524 -73.7034 19.2222 -78.1721 -21.9725 -6.30572 20.893 -3.00462 -18.0149 TIMING: 57800 CPU: 180.081, 0.00313566/step Wall: 180.081, 0.00313566/step, 4.30474 hours remaining, 226.816406 MB of memory in use. ENERGY: 57800 3940.1316 20495.2555 14593.6689 254.4284 -202772.5069 2734.9605 0.0000 0.0000 52193.5477 -108560.5143 299.9570 -160754.0620 -108198.4881 299.0308 -34.5484 -4.9553 765207.6406 -3.8799 -3.8783 PRESSURE: 58000 -63.9262 163.61 -231.454 163.61 -208.853 183.621 -231.454 183.622 -115.987 GPRESSURE: 58000 -78.6897 109.619 -252.59 52.178 -162.242 138.131 -202.334 185.904 -80.1829 PRESSAVG: 58000 26.1634 -54.7135 2.00476 -54.7135 10.0263 23.3204 2.00475 23.3204 -2.42035 GPRESSAVG: 58000 25.7078 -62.3507 -0.214918 -52.4489 10.7297 24.3156 3.35317 23.7343 -3.30261 TIMING: 58000 CPU: 180.703, 0.00311356/step Wall: 180.703, 0.00311356/step, 4.27422 hours remaining, 226.816406 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: 58000 3933.6229 20481.2846 14577.2835 253.5104 -202702.6144 2644.3144 0.0000 0.0000 51923.0411 -108889.5575 298.4024 -160812.5985 -108537.0251 298.9992 -129.5887 -107.0380 764572.4301 11.2565 11.0450 PRESSURE: 58200 442.833 -170.455 -82.3373 -170.455 276.403 179.532 -82.3372 179.532 232.195 GPRESSURE: 58200 367.682 -110.437 -11.3081 -174.993 348.82 153.588 -148.089 89.1333 313.5 PRESSAVG: 58200 60.5314 -97.4769 56.6921 -97.4769 -33.4717 -6.9275 56.6922 -6.92752 18.1011 GPRESSAVG: 58200 60.4037 -94.0563 60.3439 -98.8544 -33.942 -8.56826 54.2995 -8.88548 19.1146 TIMING: 58200 CPU: 181.329, 0.00312614/step Wall: 181.329, 0.00312614/step, 4.29132 hours remaining, 226.816406 MB of memory in use. ENERGY: 58200 3926.7885 20418.3518 14558.4596 261.2654 -203080.5694 2860.9415 0.0000 0.0000 51951.5783 -109103.1844 298.5664 -161054.7627 -108753.0271 298.4381 317.1436 343.3339 764568.9717 15.0536 15.1921 PRESSURE: 58400 -21.7884 -121.363 -76.3827 -121.364 196.927 -79.2351 -76.3835 -79.234 -63.3024 GPRESSURE: 58400 84.964 -82.3909 1.14457 59.6486 263.008 -47.824 -67.3703 8.00177 -156.597 PRESSAVG: 58400 16.7161 -50.8009 -8.69715 -50.8009 -11.7041 18.2198 -8.69722 18.2198 4.09884 GPRESSAVG: 58400 17.3363 -50.3554 -7.88473 -51.2748 -12.2825 19.7158 -8.25402 17.9382 4.031 TIMING: 58400 CPU: 181.957, 0.00313968/step Wall: 181.956, 0.00313968/step, 4.30973 hours remaining, 226.816406 MB of memory in use. ENERGY: 58400 3989.3596 20358.8716 14567.2289 256.3877 -202693.5786 2804.1446 0.0000 0.0000 51814.2624 -108903.3238 297.7773 -160717.5862 -108542.0615 297.9231 37.2787 63.7916 763490.9198 3.0369 3.0283 PRESSURE: 58600 -145.673 206.076 -235.824 206.076 54.6858 122.781 -235.824 122.782 -315.813 GPRESSURE: 58600 -148.723 85.6171 -221.392 112.163 -47.9269 111.866 -240.803 -25.3018 -150.922 PRESSAVG: 58600 -8.5238 -69.4429 -24.5362 -69.4428 40.4404 38.0826 -24.5362 38.0826 3.94497 GPRESSAVG: 58600 -8.76251 -72.0326 -28.2751 -67.6538 41.3411 36.5792 -23.1499 38.1398 3.05534 TIMING: 58600 CPU: 182.582, 0.00312827/step Wall: 182.582, 0.00312827/step, 4.29389 hours remaining, 226.816406 MB of memory in use. ENERGY: 58600 3998.8661 20602.6762 14574.3733 235.4935 -202855.4374 2729.8593 0.0000 0.0000 51719.6657 -108994.5035 297.2336 -160714.1691 -108633.8806 298.5460 -135.6002 -115.8573 764344.8483 11.9538 11.8780 PRESSURE: 58800 -4.80446 2.40691 -90.3027 2.40636 140.133 -28.074 -90.3026 -28.0738 172.469 GPRESSURE: 58800 29.3034 19.4631 -74.6883 -29.4301 203.73 -6.27636 -105.229 62.8801 143.802 PRESSAVG: 58800 -24.8693 -4.74969 -36.0033 -4.74963 -8.29268 90.9003 -36.0033 90.9005 9.07163 GPRESSAVG: 58800 -24.439 -3.50473 -33.6217 -6.30351 -9.25766 91.5605 -37.7075 91.0055 10.1276 TIMING: 58800 CPU: 183.21, 0.00313801/step Wall: 183.21, 0.00313801/step, 4.30709 hours remaining, 226.816406 MB of memory in use. ENERGY: 58800 4114.2746 20369.1138 14564.0926 238.9744 -202808.9143 2714.1017 0.0000 0.0000 51972.3488 -108836.0084 298.6858 -160808.3572 -108481.6949 298.5982 102.5993 125.6120 763269.5958 -8.0301 -7.8564 PRESSURE: 59000 316.235 -104.422 -58.4497 -104.422 -149.367 268.076 -58.4495 268.076 234.308 GPRESSURE: 59000 331.636 1.84733 -19.1673 108.856 -34.2273 221.183 -40.2462 149.483 176.298 PRESSAVG: 59000 19.9585 -15.84 -31.5515 -15.8399 11.9291 12.1031 -31.5515 12.1031 7.06411 GPRESSAVG: 59000 19.4021 -14.7552 -30.9621 -15.4383 12.1832 11.0944 -32.159 11.3849 7.25408 TIMING: 59000 CPU: 183.833, 0.0031186/step Wall: 183.833, 0.0031186/step, 4.28029 hours remaining, 226.816406 MB of memory in use. ENERGY: 59000 4062.4082 20500.2946 14529.9542 242.7637 -202736.9619 2857.4494 0.0000 0.0000 51820.7457 -108723.3461 297.8145 -160544.0919 -108366.0368 298.8028 133.7254 157.9022 761763.4180 12.9839 12.9465 PRESSURE: 59200 -46.5152 10.1186 250.986 10.1187 -312.2 42.0129 250.985 42.0135 -561.551 GPRESSURE: 59200 -5.45984 54.921 309.133 -19.9152 -316.499 38.549 170.115 87.9192 -517.952 PRESSAVG: 59200 -72.6012 -15.4571 -12.8525 -15.4571 51.2949 -35.9592 -12.8525 -35.9592 28.3386 GPRESSAVG: 59200 -72.7335 -15.6243 -13.3693 -15.1042 51.9124 -34.5999 -12.3851 -33.8743 27.879 TIMING: 59200 CPU: 184.457, 0.00311998/step Wall: 184.457, 0.00311998/step, 4.282 hours remaining, 226.816406 MB of memory in use. ENERGY: 59200 4047.3215 20368.7822 14594.0296 239.7424 -202527.1045 2699.3917 0.0000 0.0000 51902.5506 -108675.2865 298.2847 -160577.8371 -108303.7895 298.7613 -306.7554 -279.9704 766272.7083 2.3441 2.3526 PRESSURE: 59400 -574.839 10.0971 -87.8556 10.0973 -76.4727 122.027 -87.855 122.028 -208.456 GPRESSURE: 59400 -507.138 -25.217 -138.692 82.6681 -131.855 87.5214 35.5555 151.63 -120.028 PRESSAVG: 59400 3.61477 -67.4766 -1.00216 -67.4767 7.18546 19.9377 -1.00219 19.9377 -0.424367 GPRESSAVG: 59400 4.54287 -67.1638 -2.11993 -67.2958 5.93599 17.8127 0.872019 20.373 -0.389832 TIMING: 59400 CPU: 185.081, 0.00311836/step Wall: 185.081, 0.00311836/step, 4.27961 hours remaining, 226.816406 MB of memory in use. ENERGY: 59400 3957.3693 20548.2375 14596.6348 238.3098 -202905.0858 2720.7387 0.0000 0.0000 52096.3282 -108747.4675 299.3983 -160843.7957 -108379.4309 299.2300 -286.5891 -253.0069 765995.1321 3.4586 3.3630 PRESSURE: 59600 88.3566 -67.3061 142.836 -67.3056 -215.383 194.754 142.836 194.754 -45.373 GPRESSURE: 59600 78.5717 -141.607 147.462 -69.9965 -121.408 224.402 117.695 119.692 -64.271 PRESSAVG: 59600 52.979 -32.3115 13.5717 -32.3116 -46.4522 0.72022 13.5717 0.720255 10.7864 GPRESSAVG: 59600 51.7058 -33.3358 13.1871 -33.655 -46.0986 2.80843 11.9223 -0.85086 11.78 TIMING: 59600 CPU: 185.703, 0.00310958/step Wall: 185.703, 0.00310958/step, 4.26738 hours remaining, 226.816406 MB of memory in use. ENERGY: 59600 3922.9117 20516.6218 14616.3526 249.9194 -202848.0098 2865.6466 0.0000 0.0000 51932.6534 -108743.9041 298.4577 -160676.5575 -108382.3652 298.6385 -57.4663 -35.7023 766492.4820 5.7711 5.7957 PRESSURE: 59800 411.148 -41.0836 -163.849 -41.0824 92.7264 -264.08 -163.848 -264.08 -251.192 GPRESSURE: 59800 448.321 -72.3796 -193.354 -62.6734 109.899 -184.701 -62.3002 -226.881 -228.016 PRESSAVG: 59800 30.8818 -45.9295 -47.0395 -45.9295 -52.5094 -12.033 -47.0395 -12.033 5.16247 GPRESSAVG: 59800 32.063 -45.5772 -48.0001 -45.112 -52.1791 -12.2454 -44.8458 -11.7156 3.50324 TIMING: 59800 CPU: 186.327, 0.003118/step Wall: 186.327, 0.003118/step, 4.27876 hours remaining, 226.816406 MB of memory in use. ENERGY: 59800 3952.7945 20503.3333 14585.7708 247.9793 -203004.6451 2879.0192 0.0000 0.0000 52086.3412 -108749.4067 299.3409 -160835.7480 -108387.5933 298.7899 84.2273 110.0683 765135.9682 -5.4884 -5.5376 PRESSURE: 60000 -150.917 3.45036 -135.141 3.44973 -234.082 2.08337 -135.141 2.08322 -315.178 GPRESSURE: 60000 -149.808 0.954207 -95.1302 70.0211 -154.865 -85.3441 -243.965 43.3087 -318.465 PRESSAVG: 60000 -8.25868 -52.9121 24.6784 -52.9121 41.5498 44.637 24.6783 44.6369 4.15042 GPRESSAVG: 60000 -9.52545 -50.8041 27.7098 -55.2135 41.2155 44.0349 21.8936 44.811 5.93889 TIMING: 60000 CPU: 186.949, 0.0031134/step Wall: 186.949, 0.0031134/step, 4.27228 hours remaining, 226.816406 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: 60000 3972.4457 20395.3965 14588.3262 247.0506 -202739.5959 2687.4632 0.0000 0.0000 51913.1901 -108935.7237 298.3458 -160848.9137 -108570.2733 299.4403 -233.3925 -207.7124 765203.9021 12.4805 12.5430 PRESSURE: 60200 -75.8598 -88.4334 -259.219 -88.4321 52.9907 77.6202 -259.22 77.6204 -428.931 GPRESSURE: 60200 -22.6292 -113.554 -256.642 -16.018 81.132 180.367 -195.257 2.14577 -430.095 PRESSAVG: 60200 13.5411 -26.386 -35.4149 -26.386 -7.30465 24.2417 -35.4149 24.2417 12.7832 GPRESSAVG: 60200 13.8317 -26.8999 -36.7966 -26.519 -6.7096 25.5056 -33.8113 23.6949 11.6748 TIMING: 60200 CPU: 187.572, 0.00311433/step Wall: 187.572, 0.00311433/step, 4.27337 hours remaining, 227.019531 MB of memory in use. ENERGY: 60200 4049.3166 20462.0193 14589.2855 244.3849 -202912.3437 2905.9762 0.0000 0.0000 51883.5342 -108777.8269 298.1754 -160661.3611 -108414.8108 298.7314 -150.6001 -123.8639 766496.7370 6.3399 6.2656 LDB: ============= START OF LOAD BALANCING ============== 200.051 LDB: ============== END OF LOAD BALANCING =============== 200.051 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 200.053 LDB: ============= START OF LOAD BALANCING ============== 200.365 LDB: Largest compute 7010 load 0.029509 is 15.2% of average load 0.194356 LDB: Average compute 0.004347 is 2.2% of average load 0.194356 LDB: TIME 200.368 LOAD: AVG 0.194356 MAX 0.215957 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 226.672 MB LDB: TIME 200.369 LOAD: AVG 0.194356 MAX 0.215957 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.871 MB LDB: TIME 200.369 LOAD: AVG 0.194356 MAX 0.215957 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.871 MB LDB: ============== END OF LOAD BALANCING =============== 200.371 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 200.376 PRESSURE: 60400 -58.742 -87.7566 147.697 -87.7564 96.2058 -69.0245 147.696 -69.0235 61.6984 GPRESSURE: 60400 79.4869 -69.397 128.393 -98.8232 93.8268 -84.8624 221.079 -86.8291 10.7173 PRESSAVG: 60400 33.9237 1.60658 -52.8638 1.60658 -17.8586 44.7774 -52.8637 44.7774 -25.4659 GPRESSAVG: 60400 35.2295 1.25469 -53.5848 1.92162 -19.0811 43.3555 -53.5424 46.6041 -25.6541 TIMING: 60400 CPU: 188.21, 0.0031866/step Wall: 188.21, 0.0031866/step, 4.37237 hours remaining, 226.804688 MB of memory in use. ENERGY: 60400 4007.5023 20574.2429 14591.1163 230.2479 -203097.0372 2920.0271 0.0000 0.0000 51808.2711 -108965.6297 297.7428 -160773.9008 -108605.9191 298.8807 33.0540 61.3437 764212.9047 -3.1336 -3.1686 PRESSURE: 60600 -43.703 80.0528 -6.85494 80.0528 52.8622 -44.3531 -6.85527 -44.3538 182.251 GPRESSURE: 60600 118.141 -48.6225 -20.6528 212.133 51.778 -82.4154 6.25898 -94.1926 137.575 PRESSAVG: 60600 6.1139 -50.0823 -46.2232 -50.0823 0.672094 -19.7244 -46.2232 -19.7244 15.7979 GPRESSAVG: 60600 6.21001 -50.6929 -44.4288 -48.4263 1.02452 -17.9743 -45.0004 -21.7281 15.7395 TIMING: 60600 CPU: 188.833, 0.00311578/step Wall: 188.833, 0.00311578/step, 4.27502 hours remaining, 227.253906 MB of memory in use. ENERGY: 60600 3915.4043 20588.6816 14616.5797 256.4878 -203470.6375 2881.3610 0.0000 0.0000 52148.2287 -109063.8944 299.6966 -161212.1231 -108696.6402 298.6454 63.8035 102.4981 763381.0563 7.5280 7.6580 PRESSURE: 60800 -192.981 150.714 -126.766 150.714 -81.7959 264.999 -126.766 265 -71.8443 GPRESSURE: 60800 -36.0696 169.304 -102.779 139.537 -175.835 238.73 -149.379 234.821 -51.7945 PRESSAVG: 60800 28.9069 -6.83111 0.388998 -6.83109 -27.5602 13.7582 0.389077 13.7583 -6.11052 GPRESSAVG: 60800 28.4415 -5.5795 -1.02006 -10.1009 -28.3452 11.7142 -0.0517224 15.6084 -5.47396 TIMING: 60800 CPU: 189.452, 0.0030977/step Wall: 189.452, 0.0030977/step, 4.25005 hours remaining, 227.253906 MB of memory in use. ENERGY: 60800 4008.1120 20350.4392 14629.3881 230.8697 -203361.6923 2804.8816 0.0000 0.0000 52263.3781 -109074.6237 300.3584 -161338.0018 -108710.1368 298.8829 -115.5404 -87.8998 763683.9413 -1.5880 -1.7926 PRESSURE: 61000 270.943 50.7895 -176.971 50.789 -90.6627 9.92904 -176.971 9.92911 70.0141 GPRESSURE: 61000 285.72 -48.0947 -90.5333 158.057 -11.5533 -24.3591 -224.568 43.2644 45.5675 PRESSAVG: 61000 77.6703 -43.5657 2.60769 -43.5657 -66.7554 26.0133 2.60769 26.0133 26.4324 GPRESSAVG: 61000 76.5904 -44.1668 4.11178 -42.1307 -65.5285 25.5546 2.11613 23.552 25.9641 TIMING: 61000 CPU: 190.075, 0.00311298/step Wall: 190.075, 0.00311298/step, 4.27084 hours remaining, 227.253906 MB of memory in use. ENERGY: 61000 3959.2845 20414.1977 14674.4859 260.4327 -203118.9912 2914.8023 0.0000 0.0000 51775.7744 -109120.0137 297.5561 -160895.7882 -108764.2049 298.4074 83.4316 106.5779 763217.7821 12.4491 12.3420 PRESSURE: 61200 -345.861 -256.867 -76.1382 -256.867 -398.596 -31.1173 -76.1376 -31.1182 -420.751 GPRESSURE: 61200 -260.223 -341.935 18.7625 -161.676 -394.238 27.523 -17.7746 -20.3046 -427.066 PRESSAVG: 61200 53.0939 -49.5499 -11.2088 -49.5499 -17.8453 -33.752 -11.2088 -33.752 -4.60184 GPRESSAVG: 61200 52.4003 -50.2925 -12.5997 -49.9633 -17.4236 -33.0739 -9.24216 -30.3966 -4.07352 TIMING: 61200 CPU: 190.699, 0.00312238/step Wall: 190.699, 0.00312238/step, 4.28355 hours remaining, 227.269531 MB of memory in use. ENERGY: 61200 4031.1067 20409.3963 14660.9511 247.3811 -203005.0127 2670.5146 0.0000 0.0000 52101.8048 -108883.8581 299.4298 -160985.6628 -108522.7068 298.6288 -388.4029 -360.5094 763028.1444 10.2156 10.3010 PRESSURE: 61400 -478.338 7.4636 134.596 7.46311 -206.514 -7.93651 134.596 -7.93657 -80.3831 GPRESSURE: 61400 -410.97 -97.5274 84.4677 68.1945 -217.872 -38.2535 143.987 -150.769 -47.0109 PRESSAVG: 61400 13.4268 -29.535 -18.1941 -29.535 -47.1495 10.2825 -18.1941 10.2825 11.5097 GPRESSAVG: 61400 14.7597 -29.5898 -16.7693 -29.3048 -48.254 10.1695 -19.8178 7.84442 11.0361 TIMING: 61400 CPU: 191.325, 0.0031279/step Wall: 191.325, 0.0031279/step, 4.29096 hours remaining, 227.269531 MB of memory in use. ENERGY: 61400 4062.0858 20447.0862 14628.7815 254.3849 -202803.3632 2531.5562 0.0000 0.0000 51925.0004 -108954.4681 298.4137 -160879.4686 -108602.6831 298.5338 -255.0786 -225.2843 763357.8790 -7.4043 -7.4861 PRESSURE: 61600 -420.714 -180.798 124.716 -180.798 -128.61 -255.59 124.716 -255.59 -364.021 GPRESSURE: 61600 -419.403 -82.9686 99.2789 -140.168 -73.4457 -391.786 177.952 -187.789 -325.904 PRESSAVG: 61600 37.7137 -10.5087 21.8181 -10.5087 -23.1352 -26.167 21.8181 -26.1671 13.8152 GPRESSAVG: 61600 35.7664 -8.55684 21.0483 -10.2534 -23.0104 -25.7548 21.9193 -24.6989 15.4601 TIMING: 61600 CPU: 191.945, 0.00309991/step Wall: 191.945, 0.00309991/step, 4.25239 hours remaining, 227.269531 MB of memory in use. ENERGY: 61600 4077.1618 20570.3256 14544.3263 248.6025 -203142.5274 2898.4061 0.0000 0.0000 51973.2354 -108830.4698 298.6909 -160803.7052 -108458.2397 299.0714 -304.4480 -272.9175 765065.3592 9.4646 9.4053 PRESSURE: 61800 -496.474 -47.1119 -57.4327 -47.1129 -55.9182 -63.0649 -57.4331 -63.0647 -530.195 GPRESSURE: 61800 -399.724 -67.9604 -75.5478 -75.8506 -39.7991 -107.236 -133.284 75.8764 -542.144 PRESSAVG: 61800 1.08653 -5.44994 -1.99033 -5.44996 -27.325 -35.9945 -1.99033 -35.9944 18.5118 GPRESSAVG: 61800 2.90326 -6.51286 -2.8308 -5.01724 -26.8548 -37.349 -0.997218 -34.9993 16.2656 TIMING: 61800 CPU: 192.566, 0.0031056/step Wall: 192.566, 0.0031056/step, 4.26002 hours remaining, 227.269531 MB of memory in use. ENERGY: 61800 3975.5157 20623.4672 14608.4468 271.4716 -203154.7751 2809.4686 0.0000 0.0000 51932.2476 -108934.1576 298.4553 -160866.4052 -108563.6415 299.2977 -360.8623 -327.2222 765640.8278 -2.5756 -2.5620 PRESSURE: 62000 65.8471 94.9854 24.7939 94.9857 -346.248 -195.965 24.7942 -195.966 98.0408 GPRESSURE: 62000 194.073 -80.3396 51.134 232.683 -353.133 -213.647 -43.6949 -186.483 52.7492 PRESSAVG: 62000 6.97477 -1.18026 27.8855 -1.18027 20.1259 -28.5658 27.8856 -28.5659 -2.27084 GPRESSAVG: 62000 6.35567 -1.82864 28.6609 -0.477332 18.9141 -28.3583 26.9196 -30.1359 -0.427133 TIMING: 62000 CPU: 193.189, 0.00311385/step Wall: 193.189, 0.00311385/step, 4.27116 hours remaining, 227.269531 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: 62000 3999.9148 20649.7562 14576.5222 229.9879 -203146.3458 2894.9633 0.0000 0.0000 52140.6265 -108654.5749 299.6529 -160795.2014 -108285.2253 299.0933 -60.7867 -35.4369 764256.1769 8.2766 8.2809 PRESSURE: 62200 213.722 5.21616 124.626 5.21665 294.553 -253.622 124.626 -253.621 -266.483 GPRESSURE: 62200 284.057 3.53882 59.1143 114.311 288.242 -216.639 135.834 -266.385 -232.563 PRESSAVG: 62200 -34.3794 0.766444 26.4811 0.766496 70.4865 -23.2725 26.4811 -23.2726 -9.03697 GPRESSAVG: 62200 -34.3514 -0.635223 25.7857 0.356995 70.1381 -23.4394 27.4162 -24.6677 -8.51508 TIMING: 62200 CPU: 193.812, 0.00311441/step Wall: 193.812, 0.00311441/step, 4.27176 hours remaining, 227.269531 MB of memory in use. ENERGY: 62200 3941.1665 20569.2324 14650.5562 237.0353 -202865.4566 2822.1834 0.0000 0.0000 52075.3590 -108569.9239 299.2778 -160645.2829 -108211.3613 299.4652 80.5975 113.2454 763184.5348 9.0234 9.0906 PRESSURE: 62400 -154.104 -337.583 27.4511 -337.583 -37.2942 -43.6218 27.4513 -43.6218 -392.593 GPRESSURE: 62400 -94.4091 -188.441 12.8619 -346.06 -10.6779 -39.276 -81.4945 -123.528 -406.044 PRESSAVG: 62400 -26.6174 -23.9179 -26.1518 -23.9179 7.88114 -55.9161 -26.1518 -55.916 -22.4529 GPRESSAVG: 62400 -27.6198 -23.0027 -27.0037 -24.7242 8.09212 -56.0824 -28.6464 -54.7987 -21.9787 TIMING: 62400 CPU: 194.435, 0.00311637/step Wall: 194.435, 0.00311637/step, 4.27428 hours remaining, 227.269531 MB of memory in use. ENERGY: 62400 3991.1950 20401.7476 14638.6589 252.2976 -202950.6941 2777.8256 0.0000 0.0000 52169.1114 -108719.8581 299.8166 -160888.9694 -108357.0957 299.5846 -194.6636 -170.3768 765569.5883 -13.7297 -13.8355 PRESSURE: 62600 301.266 -58.0253 -325.051 -58.0259 209.29 -182.889 -325.051 -182.889 177.238 GPRESSURE: 62600 272.717 -40.3535 -326.024 22.671 330.45 -164.241 -207.047 -148.351 166.845 PRESSAVG: 62600 53.6674 -4.42354 18.2002 -4.42353 -62.6944 17.0918 18.2003 17.0918 -4.76012 GPRESSAVG: 62600 53.8623 -3.93113 20.303 -3.43716 -61.1811 17.5051 19.4812 16.9861 -6.2276 TIMING: 62600 CPU: 195.056, 0.00310752/step Wall: 195.056, 0.00310752/step, 4.26197 hours remaining, 227.269531 MB of memory in use. ENERGY: 62600 3951.7750 20466.3192 14640.2903 223.8949 -203416.3888 3277.2475 0.0000 0.0000 52217.5532 -108639.3087 300.0950 -160856.8619 -108283.2919 299.4653 229.2647 256.6709 763542.0279 -4.5957 -4.5154 PRESSURE: 62800 -113.577 114.581 131.747 114.581 -33.796 -76.7122 131.747 -76.7115 -458.682 GPRESSURE: 62800 11.8007 94.6173 139.981 179.275 -107.695 -49.6812 64.2915 -112.193 -427.99 PRESSAVG: 62800 42.6347 6.33469 1.99774 6.33471 2.09983 3.82065 1.99776 3.82064 1.96086 GPRESSAVG: 62800 42.744 3.2768 0.979726 7.21746 -0.363135 3.66097 4.57953 3.59539 3.86953 TIMING: 62800 CPU: 195.676, 0.00309941/step Wall: 195.676, 0.00309941/step, 4.25066 hours remaining, 227.269531 MB of memory in use. ENERGY: 62800 4017.4060 20550.6167 14636.9235 234.1449 -203037.3739 2649.5590 0.0000 0.0000 52068.5848 -108880.1390 299.2389 -160948.7238 -108520.9847 299.3758 -202.0182 -174.6280 762434.8008 15.5651 15.4168 PRESSURE: 63000 -279.967 245.326 58.5491 245.327 -355.998 61.1729 58.5495 61.1732 399.341 GPRESSURE: 63000 -238.484 199.404 176.952 200.93 -332.314 -11.7869 -5.57233 93.1557 425.279 PRESSAVG: 63000 18.8302 -6.91482 14.0877 -6.91479 -47.6345 7.29102 14.0878 7.29099 1.18839 GPRESSAVG: 63000 18.9797 -5.05608 13.8552 -6.9599 -46.8213 7.30222 12.7635 7.47852 -0.0143791 TIMING: 63000 CPU: 196.298, 0.00310673/step Wall: 196.298, 0.00310673/step, 4.26054 hours remaining, 227.269531 MB of memory in use. ENERGY: 63000 3983.2825 20435.2600 14529.3852 239.0666 -203123.2162 2869.1239 0.0000 0.0000 51865.0098 -109202.0883 298.0689 -161067.0981 -108838.9384 298.3019 -78.8750 -48.5063 764948.5991 -9.2053 -9.2853 PRESSURE: 63200 -59.8771 329.793 35.8831 329.793 427.505 32.8502 35.883 32.8504 165.687 GPRESSURE: 63200 -28.0037 348.908 -7.20281 172.88 464.121 72.7971 -97.227 -99.04 177.058 PRESSAVG: 63200 33.2083 4.70742 -1.74043 4.70738 -40.0936 -38.257 -1.7404 -38.2571 10.6772 GPRESSAVG: 63200 31.0104 4.25984 -0.260891 2.85504 -38.6505 -37.4565 -3.07569 -39.2275 10.9437 TIMING: 63200 CPU: 196.92, 0.00311355/step Wall: 196.92, 0.00311355/step, 4.26971 hours remaining, 227.269531 MB of memory in use. ENERGY: 63200 3994.4326 20473.5190 14573.4464 228.6067 -203104.2066 3032.2103 0.0000 0.0000 51730.5219 -109071.4696 297.2960 -160801.9916 -108710.6110 298.5615 177.7714 204.3920 763203.4813 1.2640 1.1012 PRESSURE: 63400 -47.6963 -145.87 -34.9494 -145.87 -207.72 -21.2356 -34.9493 -21.2353 -123.286 GPRESSURE: 63400 14.0518 -175.75 -90.7607 -70.8723 -206.764 -2.16648 8.58815 56.7658 -94.9116 PRESSAVG: 63400 -0.193692 -9.08895 -58.8441 -9.08895 10.5406 -30.3378 -58.8441 -30.3379 -26.5885 GPRESSAVG: 63400 0.866673 -7.06621 -60.5074 -9.03984 9.47072 -30.783 -57.6858 -28.5447 -26.7335 TIMING: 63400 CPU: 197.545, 0.00312192/step Wall: 197.545, 0.00312192/step, 4.28103 hours remaining, 227.269531 MB of memory in use. ENERGY: 63400 3995.6895 20396.9656 14589.6707 247.0265 -202768.1565 2808.3816 0.0000 0.0000 51844.3791 -108886.0434 297.9504 -160730.4225 -108524.0318 298.6870 -126.2343 -95.8746 765399.8532 -5.4139 -5.4654 PRESSURE: 63600 -296.803 -59.2711 90.7176 -59.2709 -189.836 102.82 90.7163 102.822 -36.5021 GPRESSURE: 63600 -234.07 -45.0514 100.26 -85.9321 -204.456 85.7326 96.4717 41.3327 10.3917 PRESSAVG: 63600 8.31641 -7.47598 -11.0776 -7.47596 -20.1028 3.55832 -11.0777 3.55825 -1.07071 GPRESSAVG: 63600 9.53737 -10.2305 -10.4711 -7.31223 -21.9608 2.2194 -10.8536 3.74487 -0.404741 TIMING: 63600 CPU: 198.168, 0.0031144/step Wall: 198.168, 0.0031144/step, 4.27053 hours remaining, 227.269531 MB of memory in use. ENERGY: 63600 3961.2296 20464.6565 14638.1638 270.6845 -202838.0628 2626.0149 0.0000 0.0000 51864.9299 -109012.3837 298.0685 -160877.3135 -108643.8976 298.4652 -174.3804 -142.7114 765350.1706 -4.2857 -4.2761 PRESSURE: 63800 -420.754 -15.1136 -278.199 -15.1137 3.14392 -32.9132 -278.2 -32.9138 -19.3844 GPRESSURE: 63800 -379.366 9.07443 -145.124 4.64733 22.91 -67.237 -336.623 -74.0745 5.2228 PRESSAVG: 63800 -22.0751 -31.9628 1.32602 -31.9628 -17.6848 -5.36926 1.32609 -5.36934 13.6577 GPRESSAVG: 63800 -22.7479 -32.3494 1.77617 -30.4472 -17.1817 -5.28116 0.128004 -5.40848 13.9103 TIMING: 63800 CPU: 198.791, 0.00311628/step Wall: 198.791, 0.00311628/step, 4.27294 hours remaining, 227.269531 MB of memory in use. ENERGY: 63800 4002.7265 20342.3289 14601.6619 262.8094 -202517.7642 2411.4872 0.0000 0.0000 52028.6535 -108868.0968 299.0094 -160896.7503 -108509.5854 298.4947 -145.6648 -117.0779 764764.1465 -8.7007 -8.6731 PRESSURE: 64000 -80.1449 173.784 -261.11 173.784 175.085 -167.672 -261.11 -167.672 -60.8781 GPRESSURE: 64000 13.2218 50.8645 -219.895 204.923 200.691 -242.274 -271.56 -133.167 -67.467 PRESSAVG: 64000 -6.25288 -19.1601 4.10756 -19.1601 -36.8291 -35.816 4.1076 -35.816 11.9848 GPRESSAVG: 64000 -6.04777 -19.006 2.41423 -21.8681 -36.3346 -34.2483 4.75737 -36.1192 11.4228 TIMING: 64000 CPU: 199.413, 0.00311031/step Wall: 199.413, 0.00311031/step, 4.26458 hours remaining, 227.269531 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: 64000 3952.2295 20557.7682 14582.3385 221.2671 -203407.5963 3122.1423 0.0000 0.0000 52349.9727 -108621.8780 300.8560 -160971.8507 -108258.4632 298.7677 11.3542 48.8154 764338.3305 -10.3657 -10.3198 PRESSURE: 64200 -208.144 1.92693 118.299 1.92674 -258.263 -19.0691 118.298 -19.0685 184.237 GPRESSURE: 64200 -120.849 47.5509 108.102 135.479 -273.595 -86.2498 120.559 -34.5667 178.747 PRESSAVG: 64200 43.9031 -1.94327 -16.4271 -1.94323 -14.2165 -75.3649 -16.4271 -75.365 11.3849 GPRESSAVG: 64200 42.8358 -0.529397 -13.1145 1.6806 -12.6633 -77.3112 -17.4334 -74.0749 10.6105 TIMING: 64200 CPU: 200.037, 0.00312058/step Wall: 200.037, 0.00312058/step, 4.2785 hours remaining, 227.269531 MB of memory in use. ENERGY: 64200 3902.8945 20687.8959 14598.6652 233.0604 -203108.6487 2940.9829 0.0000 0.0000 52127.5796 -108617.5702 299.5779 -160745.1498 -108258.9494 299.8468 -94.0567 -71.8989 765161.2596 13.6905 13.5943 LDB: ============= START OF LOAD BALANCING ============== 212.515 LDB: ============== END OF LOAD BALANCING =============== 212.515 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 212.517 LDB: ============= START OF LOAD BALANCING ============== 212.83 LDB: Largest compute 6983 load 0.030115 is 15.5% of average load 0.194339 LDB: Average compute 0.004358 is 2.2% of average load 0.194339 LDB: TIME 212.834 LOAD: AVG 0.194339 MAX 0.216092 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 226.688 MB LDB: TIME 212.834 LOAD: AVG 0.194339 MAX 0.216092 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.891 MB LDB: TIME 212.834 LOAD: AVG 0.194339 MAX 0.216092 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.891 MB LDB: ============== END OF LOAD BALANCING =============== 212.836 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 212.841 PRESSURE: 64400 30.6495 -8.31715 -62.7703 -8.31834 -47.2187 -180.072 -62.7695 -180.071 -95.6294 GPRESSURE: 64400 35.5838 -33.4317 -161.651 -4.59613 55.9888 -204.926 3.13745 -165.687 -125.492 PRESSAVG: 64400 46.9828 19.5922 21.4939 19.5923 -41.6282 -74.7396 21.4939 -74.7397 -0.17568 GPRESSAVG: 64400 47.3992 19.4644 17.7878 19.7452 -42.1336 -75.3302 24.1141 -75.5616 -0.266671 TIMING: 64400 CPU: 200.675, 0.00319032/step Wall: 200.675, 0.00319031/step, 4.37392 hours remaining, 226.359375 MB of memory in use. ENERGY: 64400 3926.5034 20202.2827 14645.4724 251.1600 -202497.5652 2708.0407 0.0000 0.0000 52147.9358 -108616.1704 299.6949 -160764.1061 -108238.8732 299.2181 -37.3995 -11.3064 765503.6688 1.7263 1.6663 PRESSURE: 64600 -270.942 24.1845 -194.427 24.1836 -104.685 25.8442 -194.426 25.8446 190.299 GPRESSURE: 64600 -227.122 20.4685 -158.322 -70.3696 -85.8585 35.6281 -172.673 58.4683 193.533 PRESSAVG: 64600 36.7602 -23.2532 -33.3167 -23.2532 -56.4148 -59.3789 -33.3166 -59.3789 0.730161 GPRESSAVG: 64600 36.6285 -24.8804 -33.1755 -24.363 -56.2132 -57.4839 -34.652 -60.4261 0.765899 TIMING: 64600 CPU: 201.3, 0.00312377/step Wall: 201.3, 0.00312377/step, 4.28252 hours remaining, 226.886719 MB of memory in use. ENERGY: 64600 3970.5333 20244.0001 14629.2815 230.5058 -202984.5325 2867.0269 0.0000 0.0000 52169.0585 -108874.1264 299.8163 -161043.1849 -108513.6811 298.8574 -61.7761 -39.8160 765096.6608 -6.3081 -6.2729 PRESSURE: 64800 362.63 37.6679 25.3677 37.6676 -33.2711 212.189 25.3675 212.189 176.272 GPRESSURE: 64800 421.86 -110.331 96.4037 107.544 2.407 226.909 82.1971 189.731 163.469 PRESSAVG: 64800 42.5857 -25.1532 -17.076 -25.1531 -39.1703 -23.9565 -17.076 -23.9564 4.85767 GPRESSAVG: 64800 41.8914 -25.8903 -14.1182 -24.9994 -39.2115 -24.7136 -15.9449 -23.7667 6.1832 TIMING: 64800 CPU: 201.924, 0.00312023/step Wall: 201.924, 0.00312023/step, 4.27748 hours remaining, 226.886719 MB of memory in use. ENERGY: 64800 3927.6905 20413.6062 14640.1176 228.7638 -203170.6222 3118.1785 0.0000 0.0000 52069.3227 -108772.9428 299.2431 -160842.2655 -108412.8795 298.7482 168.5435 195.9120 764529.6458 2.7577 2.9544 PRESSURE: 65000 -415.795 37.1071 -411.836 37.1071 -353.022 234.317 -411.836 234.317 -267.582 GPRESSURE: 65000 -440.654 46.6316 -436.315 -16.7603 -241.528 253.044 -416.224 198.69 -265.13 PRESSAVG: 65000 -6.49669 -69.8964 3.28165 -69.8964 -39.0036 -28.7036 3.28171 -28.7035 9.96089 GPRESSAVG: 65000 -5.0452 -69.7865 1.98891 -69.4321 -40.2055 -28.027 0.86325 -29.2498 10.1279 TIMING: 65000 CPU: 202.545, 0.00310514/step Wall: 202.545, 0.00310514/step, 4.25663 hours remaining, 226.886719 MB of memory in use. ENERGY: 65000 3997.8055 20434.6214 14628.2906 257.0863 -203173.6198 2977.9347 0.0000 0.0000 52050.8342 -108827.0470 299.1369 -160877.8812 -108474.7460 298.6033 -345.4660 -315.7706 766698.6584 -11.8465 -11.7076 PRESSURE: 65200 52.2224 28.7027 214.17 28.7014 -233.347 114.707 214.171 114.707 -33.3365 GPRESSURE: 65200 205.077 -17.146 133.756 -36.361 -243.751 133.346 138.183 45.1984 -106.457 PRESSAVG: 65200 80.0054 4.34156 6.73368 4.34153 -53.8895 -40.4087 6.73368 -40.4087 7.96402 GPRESSAVG: 65200 79.8785 6.28491 5.67997 3.12622 -53.2212 -41.7906 8.49005 -39.4382 7.4121 TIMING: 65200 CPU: 203.168, 0.00311622/step Wall: 203.168, 0.00311622/step, 4.27164 hours remaining, 226.886719 MB of memory in use. ENERGY: 65200 3977.3896 20582.4893 14623.0035 237.0627 -203225.4513 2974.1483 0.0000 0.0000 52134.1058 -108697.2521 299.6154 -160831.3579 -108333.0539 298.9819 -71.4871 -48.3770 765126.4382 11.3600 11.3565 PRESSURE: 65400 -319.055 127.236 -86.8693 127.237 -130.144 60.0283 -86.8695 60.0279 -208.004 GPRESSURE: 65400 -239.126 106.431 -103.212 -40.7595 -85.2391 -0.505473 -38.9002 237.869 -264.657 PRESSAVG: 65400 44.3944 -59.7788 -2.43999 -59.7788 -32.4578 -11.7922 -2.43999 -11.7922 -4.47295 GPRESSAVG: 65400 46.1105 -60.9763 -2.20381 -58.7422 -33.6007 -10.8277 -2.79085 -11.1314 -5.3137 TIMING: 65400 CPU: 203.79, 0.00310663/step Wall: 203.79, 0.00310663/step, 4.25833 hours remaining, 226.886719 MB of memory in use. ENERGY: 65400 4060.7119 20393.7036 14684.8538 251.2913 -203199.9440 2900.3074 0.0000 0.0000 51962.7085 -108946.3675 298.6304 -160909.0759 -108579.7287 299.3043 -219.0678 -196.3407 764013.3108 2.4879 2.3987 PRESSURE: 65600 379.592 11.6403 200.723 11.6408 311.688 218.049 200.723 218.048 139.334 GPRESSURE: 65600 380.18 -23.7863 219.753 60.2063 364.42 115.089 61.1155 226.023 166.376 PRESSAVG: 65600 11.5738 -52.9445 -1.23869 -52.9445 15.7868 -29.9343 -1.23868 -29.9343 -9.75735 GPRESSAVG: 65600 9.65799 -53.1342 -1.13529 -52.2299 16.3172 -30.2597 -1.39462 -30.3379 -8.00258 TIMING: 65600 CPU: 204.412, 0.00311336/step Wall: 204.412, 0.00311336/step, 4.26738 hours remaining, 226.886719 MB of memory in use. ENERGY: 65600 3933.0965 20578.4460 14631.8867 243.0590 -203352.9398 3069.5475 0.0000 0.0000 52004.5010 -108892.4031 298.8706 -160896.9042 -108541.3831 298.8555 276.8714 303.6587 763515.0129 5.8678 5.9909 PRESSURE: 65800 270.574 123.401 -48.3332 123.401 -250.802 -17.5498 -48.3332 -17.5495 -26.8721 GPRESSURE: 65800 184.026 121.494 -3.01544 136.03 -115.471 -28.0679 15.3745 53.4079 25.589 PRESSAVG: 65800 10.2896 -25.0686 -2.0361 -25.0686 -11.1908 59.0323 -2.03614 59.0323 -4.36938 GPRESSAVG: 65800 10.0229 -23.8371 -1.12406 -26.7952 -11.0326 59.086 -3.19242 57.2075 -3.93961 TIMING: 65800 CPU: 205.035, 0.00311233/step Wall: 205.035, 0.00311233/step, 4.2658 hours remaining, 226.886719 MB of memory in use. ENERGY: 65800 3984.3476 20538.3120 14681.8356 261.5711 -203589.8667 3116.3495 0.0000 0.0000 52085.9549 -108921.4960 299.3387 -161007.4509 -108560.2046 298.5177 -2.3666 31.3813 764264.2376 -1.7569 -1.6498 PRESSURE: 66000 -128.878 22.4787 35.5984 22.4785 -185.671 14.1164 35.5981 14.1153 -31.787 GPRESSURE: 66000 -6.84484 10.7829 52.7392 -31.6767 -212.833 36.3951 -30.8504 184.849 -68.6412 PRESSAVG: 66000 10.9267 -34.6777 -6.14882 -34.6777 -14.9492 -33.74 -6.14882 -33.74 -3.03213 GPRESSAVG: 66000 12.7942 -35.7428 -7.20767 -35.1218 -15.5259 -33.3658 -4.29419 -31.3578 -4.09652 TIMING: 66000 CPU: 205.653, 0.00308957/step Wall: 205.653, 0.00308957/step, 4.23443 hours remaining, 226.886719 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: 66000 3955.8776 20550.6910 14540.8176 251.2847 -203301.3978 3091.2367 0.0000 0.0000 52032.9022 -108878.5882 299.0338 -160911.4903 -108525.9697 298.7628 -115.4456 -96.1064 766546.3313 -2.3515 -2.2760 PRESSURE: 66200 26.1752 47.4267 81.0176 47.4268 225.497 134.302 81.0179 134.303 550.368 GPRESSURE: 66200 51.2034 18.7193 55.4534 74.4276 284.799 90.6468 84.0433 45.0336 557.769 PRESSAVG: 66200 -36.4346 -40.3917 29.6837 -40.3917 46.8449 4.84272 29.6837 4.84267 -11.2386 GPRESSAVG: 66200 -37.7583 -38.3974 29.2185 -40.556 47.8262 4.95887 29.2533 3.79772 -10.8845 TIMING: 66200 CPU: 206.27, 0.00308638/step Wall: 206.27, 0.00308638/step, 4.22989 hours remaining, 226.886719 MB of memory in use. ENERGY: 66200 3961.7227 20418.9844 14652.9070 247.2865 -203542.8836 3379.2584 0.0000 0.0000 52049.5516 -108833.1730 299.1295 -160882.7246 -108481.4288 298.9560 267.3468 297.9241 763552.6172 -0.2761 -0.2722 PRESSURE: 66400 119.675 -47.2073 168.11 -47.2063 13.6251 76.0085 168.111 76.0087 209.013 GPRESSURE: 66400 139.284 -89.9845 231.593 -34.111 99.7192 133.967 276.99 161.646 181.801 PRESSAVG: 66400 9.06114 -63.0201 20.8658 -63.0201 -2.52504 21.5493 20.8659 21.5494 -0.738853 GPRESSAVG: 66400 8.00501 -65.0185 22.808 -61.9098 -1.47253 22.0674 21.958 23.3878 -0.491368 TIMING: 66400 CPU: 206.893, 0.00311374/step Wall: 206.893, 0.00311374/step, 4.26721 hours remaining, 226.886719 MB of memory in use. ENERGY: 66400 3955.0398 20474.4970 14586.2883 234.8444 -202948.7566 3060.7007 0.0000 0.0000 51915.0219 -108722.3645 298.3563 -160637.3864 -108360.2727 298.9719 114.1042 140.2680 763396.9386 1.9324 2.0137 PRESSURE: 66600 -29.0665 -212.874 -217.571 -212.875 -68.9111 76.2247 -217.57 76.2254 536.908 GPRESSURE: 66600 43.6794 -191.701 -195.285 -79.2195 -88.6055 160.412 -154.303 53.1831 562.711 PRESSAVG: 66600 2.77277 -41.8187 -68.0686 -41.8187 23.596 60.0476 -68.0685 60.0476 18.5516 GPRESSAVG: 66600 4.06491 -41.7839 -69.8361 -41.821 21.8599 60.6449 -67.9748 56.464 19.3434 TIMING: 66600 CPU: 207.516, 0.00311682/step Wall: 207.516, 0.00311682/step, 4.27126 hours remaining, 226.886719 MB of memory in use. ENERGY: 66600 3900.3793 20551.3416 14627.3691 247.7024 -202554.2930 2242.6011 0.0000 0.0000 52241.5982 -108743.3014 300.2332 -160984.8995 -108371.9680 299.3556 146.3102 172.5950 761885.6714 14.9735 15.0894 PRESSURE: 66800 -150.124 3.10933 35.6493 3.10882 -106.974 -41.9391 35.6495 -41.9399 -21.2219 GPRESSURE: 66800 -172.427 -48.8742 23.9361 -23.9121 -71.9054 -113.791 57.4165 -45.1461 44.0675 PRESSAVG: 66800 -3.85486 2.87952 35.5025 2.87951 66.1974 15.8818 35.5025 15.8817 1.61553 GPRESSAVG: 66800 -3.53191 3.14552 36.0977 1.64797 65.9729 14.8715 34.3107 17.856 1.54924 TIMING: 66800 CPU: 208.137, 0.00310565/step Wall: 208.137, 0.00310565/step, 4.25577 hours remaining, 226.875000 MB of memory in use. ENERGY: 66800 3917.5572 20811.5998 14665.4108 262.9330 -202630.7395 2448.5391 0.0000 0.0000 51689.7304 -108834.9694 297.0616 -160524.6998 -108471.5730 299.0792 -92.7733 -66.7551 762257.5166 21.3194 21.3301 PRESSURE: 67000 -88.9044 176.663 114.439 176.665 -72.1527 43.586 114.44 43.5855 76.5661 GPRESSURE: 67000 -29.7533 243.041 94.5234 203.465 -80.5734 51.3189 156.854 20.9534 94.6362 PRESSAVG: 67000 -63.4773 10.4724 28.6078 10.4724 17.6773 -17.3472 28.6079 -17.3473 -14.7797 GPRESSAVG: 67000 -64.4276 11.9366 30.2437 11.9063 18.3941 -16.5449 27.2547 -17.2171 -14.549 TIMING: 67000 CPU: 208.758, 0.00310707/step Wall: 208.758, 0.00310707/step, 4.25755 hours remaining, 226.875000 MB of memory in use. ENERGY: 67000 3932.9210 20624.6522 14600.4529 253.9196 -202949.9839 2976.4774 0.0000 0.0000 51914.4639 -108647.0969 298.3531 -160561.5608 -108291.7809 298.9674 -28.1637 -5.2302 761885.6661 -20.1933 -20.1942 PRESSURE: 67200 -153.385 -10.8694 -37.8355 -10.87 -343.016 -33.9097 -37.8349 -33.9087 -63.4185 GPRESSURE: 67200 -204.84 138.445 -52.0082 10.0562 -278.976 11.4723 -18.7737 55.0615 17.1673 PRESSAVG: 67200 4.44865 11.7911 18.2476 11.7911 -14.052 61.0808 18.2475 61.0808 12.7165 GPRESSAVG: 67200 3.96072 9.98728 18.9848 11.4673 -13.8925 59.5543 19.2517 60.9465 13.0893 TIMING: 67200 CPU: 209.382, 0.00311862/step Wall: 209.382, 0.00311862/step, 4.2732 hours remaining, 226.875000 MB of memory in use. ENERGY: 67200 4027.8500 20524.8890 14611.1294 242.2945 -203062.2891 2864.9221 0.0000 0.0000 52125.0783 -108666.1259 299.5635 -160791.2042 -108298.9129 299.4526 -186.6063 -155.5496 764343.8922 1.0377 1.0525 PRESSURE: 67400 241.079 103.291 -105.224 103.291 -142.03 -136.973 -105.225 -136.973 -137.965 GPRESSURE: 67400 260.403 -7.95153 -88.862 -3.19617 -58.3827 -158.029 -93.364 -76.79 -155.833 PRESSAVG: 67400 -34.0141 -4.67283 0.644045 -4.67283 -9.77644 -28.2118 0.644049 -28.2119 11.0308 GPRESSAVG: 67400 -34.8824 -5.5626 -1.11819 -2.66782 -8.39081 -27.7431 1.07403 -28.0173 10.5033 TIMING: 67400 CPU: 210.005, 0.00311634/step Wall: 210.005, 0.00311634/step, 4.2699 hours remaining, 226.875000 MB of memory in use. ENERGY: 67400 3939.7021 20565.1068 14511.2782 257.6005 -202943.9757 2848.0079 0.0000 0.0000 52165.7208 -108656.5594 299.7971 -160822.2802 -108289.0214 299.6269 -12.9721 15.3956 765434.2622 -10.9199 -10.9233 PRESSURE: 67600 194.38 -142.146 -32.1538 -142.146 -232.855 78.9467 -32.1536 78.9486 -191.93 GPRESSURE: 67600 176.395 -62.9665 -52.4348 -125.996 -81.7739 141.517 11.661 102.911 -219.337 PRESSAVG: 67600 12.9737 -25.3273 0.320581 -25.3274 -21.7709 2.41669 0.320617 2.41681 3.62981 GPRESSAVG: 67600 14.2673 -25.2177 -0.546352 -26.197 -21.2879 3.18343 -0.699364 1.6847 2.58497 TIMING: 67600 CPU: 210.626, 0.00310421/step Wall: 210.626, 0.00310421/step, 4.25312 hours remaining, 226.875000 MB of memory in use. ENERGY: 67600 4003.1464 20621.1389 14592.7756 264.6377 -203089.0241 2936.9061 0.0000 0.0000 51913.4680 -108756.9515 298.3474 -160670.4195 -108405.1465 299.1726 -76.8015 -41.5720 763970.7519 -1.7225 -1.4785 PRESSURE: 67800 -349.594 -12.9008 3.74868 -12.9003 -111.387 -12.9815 3.74868 -12.9828 -210.124 GPRESSURE: 67800 -304.199 18.3301 44.7165 11.3281 -73.6376 -36.0407 -38.4155 -33.1383 -214.14 PRESSAVG: 67800 -7.6692 -14.2753 -4.8054 -14.2753 1.02692 -20.5786 -4.80545 -20.5786 -7.85663 GPRESSAVG: 67800 -7.40561 -15.1324 -5.76605 -14.2006 0.485587 -22.2514 -3.40905 -21.3567 -7.37455 TIMING: 67800 CPU: 211.25, 0.00311811/step Wall: 211.25, 0.00311811/step, 4.27199 hours remaining, 226.875000 MB of memory in use. ENERGY: 67800 4032.4067 20668.1397 14558.5902 257.3268 -202738.3209 2556.9169 0.0000 0.0000 51974.7557 -108690.1850 298.6996 -160664.9407 -108330.3551 299.2303 -223.7017 -197.3253 766981.1312 -4.8330 -4.7649 PRESSURE: 68000 45.8202 -44.2411 -11.4584 -44.2406 187.574 22.4835 -11.4587 22.4841 -367.54 GPRESSURE: 68000 93.5101 -38.943 -46.488 -64.7677 149.612 21.6737 -31.452 -68.9519 -294.694 PRESSAVG: 68000 51.523 6.87746 -29.4927 6.8775 -15.5676 4.13175 -29.4926 4.13178 1.04548 GPRESSAVG: 68000 50.7108 7.53147 -27.5842 5.70339 -16.4367 4.26769 -30.0542 6.6812 2.48005 TIMING: 68000 CPU: 211.873, 0.0031156/step Wall: 211.873, 0.0031156/step, 4.26837 hours remaining, 226.875000 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: 68000 4037.0236 20500.7086 14632.6777 247.3208 -203100.9744 2858.9071 0.0000 0.0000 52140.6479 -108683.6886 299.6530 -160824.3365 -108317.6938 299.1251 -44.7154 -17.1905 763372.8823 12.3336 12.2514 PRESSURE: 68200 -406.822 83.3271 -8.8249 83.3281 -127.888 -361.916 -8.82597 -361.917 -304.1 GPRESSURE: 68200 -348.383 150.6 85.9463 23.8895 -110.059 -275.527 -67.1895 -369.504 -288.421 PRESSAVG: 68200 47.4789 -11.1131 -36.6925 -11.1131 -20.8987 -0.61494 -36.6925 -0.6149 -32.3134 GPRESSAVG: 68200 47.9359 -9.29414 -37.6047 -11.3251 -21.5346 0.0716474 -36.4381 -2.36097 -32.7234 TIMING: 68200 CPU: 212.502, 0.00314351/step Wall: 212.502, 0.00314351/step, 4.30644 hours remaining, 226.875000 MB of memory in use. ENERGY: 68200 3952.1187 20627.2769 14557.6728 233.8006 -202750.5219 2738.4062 0.0000 0.0000 51988.6184 -108652.6283 298.7793 -160641.2467 -108282.5172 299.5191 -279.6034 -248.9541 765491.9237 -1.9111 -2.1074 LDB: ============= START OF LOAD BALANCING ============== 224.983 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 224.983 LDB: =============== DONE WITH MIGRATION ================ 224.984 LDB: ============= START OF LOAD BALANCING ============== 225.298 LDB: Largest compute 7010 load 0.029237 is 15.0% of average load 0.194313 LDB: Average compute 0.004355 is 2.2% of average load 0.194313 LDB: TIME 225.301 LOAD: AVG 0.194313 MAX 0.217426 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 226.715 MB LDB: TIME 225.302 LOAD: AVG 0.194313 MAX 0.217426 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.914 MB LDB: TIME 225.302 LOAD: AVG 0.194313 MAX 0.216674 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.914 MB LDB: ============== END OF LOAD BALANCING =============== 225.304 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 225.309 PRESSURE: 68400 -136.641 -10.6798 114.568 -10.6805 -85.1679 -118.654 114.568 -118.654 -359.729 GPRESSURE: 68400 -85.7029 -105.681 121.114 104.489 -24.2513 -85.3571 64.1318 -115.965 -404.213 PRESSAVG: 68400 13.4142 -1.00301 -42.1745 -1.003 7.99358 -29.595 -42.1745 -29.5952 10.08 GPRESSAVG: 68400 14.5918 -2.17587 -41.0922 0.68078 7.72673 -28.7188 -43.0392 -31.1148 9.12672 TIMING: 68400 CPU: 213.143, 0.00320521/step Wall: 213.143, 0.0032052/step, 4.39077 hours remaining, 225.121094 MB of memory in use. ENERGY: 68400 3933.9861 20625.4154 14608.1792 262.2858 -202821.7503 2625.1168 0.0000 0.0000 52098.4588 -108668.3082 299.4106 -160766.7670 -108306.9686 299.6693 -193.8459 -171.3891 765452.7377 10.4959 10.4818 PRESSURE: 68600 -54.2385 -135.049 -101.837 -135.048 -166.59 228.692 -101.837 228.693 -169.394 GPRESSURE: 68600 -25.7228 -210.833 -105.324 -10.6584 -170.479 284.021 -5.02432 228.337 -85.515 PRESSAVG: 68600 -23.6042 -17.4616 16.1705 -17.4616 41.3139 20.9625 16.1704 20.9626 -17.1544 GPRESSAVG: 68600 -25.9235 -19.2971 15.9898 -16.3017 42.7434 20.1691 16.0576 22.4259 -16.6751 TIMING: 68600 CPU: 213.765, 0.00311201/step Wall: 213.765, 0.00311201/step, 4.26294 hours remaining, 225.121094 MB of memory in use. ENERGY: 68600 3934.8093 20771.5541 14627.9254 253.0515 -203001.8236 2772.9228 0.0000 0.0000 51933.4161 -108708.1444 298.4621 -160641.5606 -108352.5087 299.3513 -130.0742 -93.9055 764886.6989 0.1851 0.0483 PRESSURE: 68800 -93.8029 67.2228 33.2685 67.2225 185.717 53.4884 33.2686 53.4879 -262.373 GPRESSURE: 68800 -88.3136 -28.085 129.83 143.647 244.799 66.5707 -78.014 65.6221 -228.906 PRESSAVG: 68800 0.8123 7.87293 27.1909 7.87288 25.6902 26.3823 27.191 26.3822 11.8792 GPRESSAVG: 68800 1.07045 8.93139 25.9657 7.49425 24.75 26.7394 26.8945 27.5479 12.9736 TIMING: 68800 CPU: 214.388, 0.00311571/step Wall: 214.388, 0.00311571/step, 4.26783 hours remaining, 225.324219 MB of memory in use. ENERGY: 68800 3974.6280 20567.4946 14614.5805 242.6453 -203205.6244 2782.0737 0.0000 0.0000 52155.3240 -108868.8782 299.7374 -161024.2022 -108496.5145 299.1389 -56.8197 -24.1403 764818.5302 12.7939 12.9313 PRESSURE: 69000 -148.153 27.7481 154.856 27.7484 -363.023 49.3152 154.855 49.3166 -61.5512 GPRESSURE: 69000 -75.0238 -30.5151 172.194 -42.3638 -372.739 -19.5079 150.417 60.4248 -51.9615 PRESSAVG: 69000 -9.64368 14.4145 -4.64696 14.4145 48.6635 40.1233 -4.64696 40.1233 -1.24551 GPRESSAVG: 69000 -8.23146 13.9159 -4.69852 15.0039 47.5859 38.6486 -3.23123 38.3409 -2.56616 TIMING: 69000 CPU: 215.01, 0.00310699/step Wall: 215.01, 0.00310699/step, 4.25571 hours remaining, 225.324219 MB of memory in use. ENERGY: 69000 4009.1879 20596.1562 14540.1376 270.3845 -203251.6079 2709.9708 0.0000 0.0000 52152.4000 -108973.3708 299.7206 -161125.7708 -108619.6892 299.3109 -190.9089 -166.5748 763925.9192 12.5914 12.2628 PRESSURE: 69200 -236.637 -161.351 226.697 -161.351 123.354 22.3526 226.698 22.3535 202.062 GPRESSURE: 69200 -134.363 -65.7909 208.682 -272.151 80.9225 33.1389 152.71 88.1986 222.678 PRESSAVG: 69200 -30.9964 -41.5156 -8.28421 -41.5156 6.8145 -11.1317 -8.28417 -11.1318 8.59691 GPRESSAVG: 69200 -31.1007 -42.8608 -7.82751 -41.2359 7.7296 -8.45061 -7.36899 -11.4695 8.63762 TIMING: 69200 CPU: 215.638, 0.00313948/step Wall: 215.638, 0.00313948/step, 4.30004 hours remaining, 225.324219 MB of memory in use. ENERGY: 69200 3932.4466 20605.5126 14642.4961 245.7977 -203110.6139 2631.0445 0.0000 0.0000 51875.8467 -109177.4697 298.1312 -161053.3163 -108825.8071 298.5816 29.5932 56.4127 763321.2078 -5.1950 -4.9112 PRESSURE: 69400 -372.324 -40.5154 -71.592 -40.5148 229.245 -17.9446 -71.5922 -17.9448 -138.549 GPRESSURE: 69400 -293.641 -41.1578 -62.0657 127.682 197.773 -45.823 -121.694 51.4761 -105.751 PRESSAVG: 69400 -3.8426 -49.723 4.20664 -49.723 -28.2107 37.9965 4.20661 37.9965 -10.5557 GPRESSAVG: 69400 -4.06113 -46.81 3.11104 -51.1954 -28.2091 36.282 4.55126 39.4234 -9.92624 TIMING: 69400 CPU: 216.263, 0.00312632/step Wall: 216.263, 0.00312632/step, 4.28184 hours remaining, 225.324219 MB of memory in use. ENERGY: 69400 4020.3903 20540.0152 14568.2908 277.8194 -203670.9365 3120.0209 0.0000 0.0000 51933.6112 -109210.7886 298.4632 -161144.3999 -108851.3356 298.4247 -93.8756 -67.2065 762854.7035 -14.2030 -14.0655 PRESSURE: 69600 -229.73 11.2788 104.362 11.2784 -208.154 97.6776 104.362 97.6762 58.5233 GPRESSURE: 69600 -135.906 -6.55963 132.247 82.8287 -154.265 72.8823 21.2572 135.304 -0.951867 PRESSAVG: 69600 -80.0273 -29.5857 15.3617 -29.5856 -1.03538 -17.1715 15.3618 -17.1715 -12.59 GPRESSAVG: 69600 -80.9951 -31.6477 18.2567 -28.037 0.0520951 -17.0329 11.5237 -16.3803 -12.8558 TIMING: 69600 CPU: 216.883, 0.00310269/step Wall: 216.883, 0.00310269/step, 4.24931 hours remaining, 225.335938 MB of memory in use. ENERGY: 69600 3966.1234 20521.8616 14560.4765 245.7371 -203113.3758 2985.2442 0.0000 0.0000 51774.4084 -109059.5247 297.5482 -160833.9331 -108690.2029 298.1419 -126.4533 -97.0410 764761.7700 -31.2176 -31.2663 PRESSURE: 69800 -92.0687 -33.2629 -293.119 -33.2632 -102.958 96.4666 -293.119 96.4677 291.785 GPRESSURE: 69800 -42.2905 -51.0935 -235.916 -101.358 -25.3609 54.9097 -115.15 176.553 222.709 PRESSAVG: 69800 37.8471 -29.8933 6.35119 -29.8932 -8.54425 -2.15722 6.35123 -2.15722 -17.0208 GPRESSAVG: 69800 38.5421 -27.596 4.51241 -31.3945 -9.37117 -1.11465 9.06433 -3.34848 -16.8018 TIMING: 69800 CPU: 217.507, 0.00311953/step Wall: 217.507, 0.00311953/step, 4.2722 hours remaining, 225.335938 MB of memory in use. ENERGY: 69800 4031.9292 20508.2476 14609.2835 256.0035 -203016.5981 2783.0780 0.0000 0.0000 51904.6127 -108923.4435 298.2965 -160828.0562 -108563.1771 298.7762 32.2527 51.6860 763598.8319 4.0940 4.1230 PRESSURE: 70000 26.7878 61.803 177.911 61.8037 -328.761 -86.2742 177.91 -86.2743 -194.868 GPRESSURE: 70000 -3.12638 69.1189 108.656 -25.1423 -297.299 -71.543 189.177 -75.2822 -132.259 PRESSAVG: 70000 29.1162 -32.8174 -8.80633 -32.8175 33.457 -32.7743 -8.80633 -32.7743 -9.38912 GPRESSAVG: 70000 30.0497 -32.9207 -8.67941 -32.9869 32.0483 -35.6897 -10.3205 -31.1904 -8.85056 TIMING: 70000 CPU: 218.131, 0.00311755/step Wall: 218.131, 0.00311755/step, 4.26932 hours remaining, 225.335938 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: 70000 4053.0189 20467.7062 14593.3161 254.6038 -202978.9752 2598.2197 0.0000 0.0000 51905.1052 -109107.0053 298.2994 -161012.1105 -108736.8069 299.1267 -165.6137 -144.2280 764664.8058 17.7280 17.7491 PRESSURE: 70200 -279.469 48.3707 112.338 48.3712 -145.593 89.5704 112.339 89.5691 -249.241 GPRESSURE: 70200 -252.81 9.85873 141.152 113.112 -99.0691 70.1943 147.376 146.655 -240.517 PRESSAVG: 70200 -52.6882 -54.175 -23.5287 -54.175 59.6792 45.6022 -23.5287 45.6021 -7.42956 GPRESSAVG: 70200 -52.2408 -54.8146 -22.4234 -55.1432 60.291 46.9601 -21.9486 44.7355 -7.66644 TIMING: 70200 CPU: 218.758, 0.00313636/step Wall: 218.758, 0.00313636/step, 4.2949 hours remaining, 225.335938 MB of memory in use. ENERGY: 70200 3961.8402 20540.7590 14579.3686 247.7336 -202609.7361 2273.1646 0.0000 0.0000 51913.8009 -109093.0693 298.3493 -161006.8702 -108731.5282 298.4557 -224.7680 -197.4656 765333.1676 -0.1462 0.1279 PRESSURE: 70400 -163.045 -154.88 129.607 -154.88 -3.04537 -126.273 129.606 -126.272 -341.172 GPRESSURE: 70400 -176.442 -118.127 54.0413 -220.527 17.3692 -186.415 148.052 -160.138 -266.056 PRESSAVG: 70400 12.5126 -22.7168 16.6003 -22.7167 -1.71417 -21.2533 16.6003 -21.2533 16.8173 GPRESSAVG: 70400 12.0546 -22.1714 16.5248 -21.8434 -0.99131 -19.6008 17.2461 -22.0307 16.7303 TIMING: 70400 CPU: 219.384, 0.00313027/step Wall: 219.384, 0.00313027/step, 4.28638 hours remaining, 225.335938 MB of memory in use. ENERGY: 70400 4022.5925 20518.4572 14578.6052 260.1661 -203425.4864 2955.3477 0.0000 0.0000 51977.4429 -109112.8749 298.7151 -161090.3177 -108749.2768 298.7343 -169.0872 -141.7098 764679.5803 9.2052 9.2645 PRESSURE: 70600 -206.005 -80.5391 158.157 -80.5394 131.15 -161.418 158.157 -161.416 72.2598 GPRESSURE: 70600 -152.372 -88.9624 200.012 -2.02897 162.208 -146.934 159.593 -89.9792 63.6673 PRESSAVG: 70600 17.3222 -28.5134 -28.0509 -28.5134 -38.4688 42.5254 -28.0509 42.5254 1.4116 GPRESSAVG: 70600 17.9661 -28.4496 -29.0262 -28.5858 -37.9103 40.9063 -29.6608 41.1937 0.401739 TIMING: 70600 CPU: 220.012, 0.00313723/step Wall: 220.012, 0.00313723/step, 4.29574 hours remaining, 225.335938 MB of memory in use. ENERGY: 70600 4016.3318 20496.4472 14618.5195 237.8311 -202837.3039 2664.6014 0.0000 0.0000 51970.6593 -108832.9136 298.6761 -160803.5729 -108481.0892 298.4714 -0.8651 24.5011 764747.2514 -6.5784 -6.5142 PRESSURE: 70800 -199.699 65.8667 -161.623 65.8664 -412.49 -9.01555 -161.623 -9.01558 -287.193 GPRESSURE: 70800 -175.93 -25.5115 -115.511 63.6886 -393.465 -35.0243 -171.302 13.7513 -246.424 PRESSAVG: 70800 -4.96528 -64.8275 -2.29589 -64.8274 -7.31397 88.4041 -2.29586 88.4041 11.1348 GPRESSAVG: 70800 -6.3382 -65.0126 -2.60083 -63.7787 -8.27361 89.17 -1.96541 90.1503 12.9149 TIMING: 70800 CPU: 220.636, 0.00312041/step Wall: 220.636, 0.00312041/step, 4.27253 hours remaining, 225.335938 MB of memory in use. ENERGY: 70800 4049.8513 20533.9038 14575.8883 236.4028 -203078.5904 2793.7172 0.0000 0.0000 52042.7223 -108846.1049 299.0902 -160888.8272 -108496.1464 299.3268 -299.7939 -271.9394 763115.0393 -0.3815 -0.5656 PRESSURE: 71000 132.098 -62.4674 100.755 -62.4679 -30.9321 -72.2579 100.756 -72.2596 -170.433 GPRESSURE: 71000 132.931 -46.2119 128.378 -204.688 32.2696 -50.276 95.0797 -175.937 -121.324 PRESSAVG: 71000 11.3977 -12.6205 3.37716 -12.6206 -3.00093 20.0309 3.37717 20.0309 -0.481267 GPRESSAVG: 71000 11.9561 -15.9541 4.20052 -11.2394 -3.8937 20.4317 4.88615 20.2145 -0.647109 TIMING: 71000 CPU: 221.258, 0.00310935/step Wall: 221.258, 0.00310935/step, 4.25722 hours remaining, 225.335938 MB of memory in use. ENERGY: 71000 4014.1656 20499.7178 14568.6990 241.2343 -203337.8037 2918.5124 0.0000 0.0000 52281.9651 -108813.5095 300.4652 -161095.4746 -108454.4948 299.6528 -23.0889 14.6255 763868.9723 2.6385 2.4718 PRESSURE: 71200 97.4054 93.5802 105.006 93.5805 317.178 145.335 105.007 145.336 96.4224 GPRESSURE: 71200 152.717 142.206 100.274 57.385 321.379 114.242 80.5615 170.226 151.47 PRESSAVG: 71200 26.28 -5.67357 42.2007 -5.6735 6.76857 17.7791 42.2007 17.7791 -16.7016 GPRESSAVG: 71200 26.5025 -5.05701 41.2928 -6.57608 8.61911 17.4632 39.0952 18.4146 -18.226 TIMING: 71200 CPU: 221.881, 0.00311744/step Wall: 221.881, 0.00311744/step, 4.26812 hours remaining, 225.335938 MB of memory in use. ENERGY: 71200 4045.7166 20402.0480 14579.3999 264.8493 -203360.3021 3221.6056 0.0000 0.0000 52325.4142 -108521.2684 300.7149 -160846.6826 -108159.0833 299.6937 170.3354 208.5222 763558.6047 5.4490 5.6319 PRESSURE: 71400 108.303 20.5927 -70.0108 20.5923 54.8096 99.6899 -70.0114 99.6897 76.5274 GPRESSURE: 71400 166.052 85.8638 -65.9059 -28.6199 34.9041 162.739 -141.915 28.6195 122.152 PRESSAVG: 71400 35.5646 -59.5974 26.73 -59.5973 -15.4061 6.65749 26.73 6.65757 25.8719 GPRESSAVG: 71400 35.0989 -56.3384 27.3479 -61.9192 -16.154 7.38644 29.4302 5.65837 26.6363 TIMING: 71400 CPU: 222.506, 0.00312515/step Wall: 222.506, 0.00312515/step, 4.2785 hours remaining, 225.335938 MB of memory in use. ENERGY: 71400 3957.7452 20470.4950 14591.2638 249.3090 -202986.3069 3020.1196 0.0000 0.0000 52066.4096 -108630.9647 299.2264 -160697.3743 -108275.4633 299.4826 79.8799 107.7026 764903.7687 15.3435 15.1937 PRESSURE: 71600 41.5137 22.8458 64.9719 22.8467 23.7086 147.527 64.9718 147.528 210.506 GPRESSURE: 71600 59.5878 3.58217 49.2686 0.954998 103.958 69.6194 13.5634 202.063 197.572 PRESSAVG: 71600 20.9107 -9.58113 5.50565 -9.58113 -25.4657 11.5352 5.50572 11.5351 -14.9443 GPRESSAVG: 71600 19.5909 -9.52986 4.50701 -7.85434 -24.0334 9.80021 4.96852 12.6906 -15.1321 TIMING: 71600 CPU: 223.132, 0.00313145/step Wall: 223.132, 0.00313145/step, 4.28695 hours remaining, 225.335938 MB of memory in use. ENERGY: 71600 3966.3440 20362.7385 14536.7054 239.4633 -202825.4690 2886.1360 0.0000 0.0000 52200.0008 -108634.0808 299.9941 -160834.0816 -108275.1780 299.1744 91.9096 120.3727 765121.8591 -6.4998 -6.5249 PRESSURE: 71800 -19.5679 -37.6854 239.593 -37.6862 -244.252 83.0281 239.593 83.0278 -283.545 GPRESSURE: 71800 -57.994 -88.5555 253.652 -23.1391 -250.097 5.6801 200.278 137.262 -165.483 PRESSAVG: 71800 -36.3573 -63.3099 7.27446 -63.3099 25.1238 -1.16031 7.2745 -1.16031 16.1716 GPRESSAVG: 71800 -35.5947 -64.8209 6.84692 -62.2165 24.5864 0.743816 8.64751 -3.83498 16.5197 TIMING: 71800 CPU: 223.758, 0.00312855/step Wall: 223.758, 0.00312855/step, 4.28282 hours remaining, 225.335938 MB of memory in use. ENERGY: 71800 3929.5441 20584.0321 14662.1272 253.3415 -203328.5858 3019.5298 0.0000 0.0000 52066.9371 -108813.0741 299.2294 -160880.0111 -108455.6993 299.0960 -182.4548 -157.8579 765546.3362 1.6460 1.8371 PRESSURE: 72000 -24.7318 -81.7528 -142.603 -81.752 167.326 -99.0086 -142.602 -99.009 39.6163 GPRESSURE: 72000 25.7875 -47.494 -81.2521 -59.2494 123.559 -70.365 -25.8079 -62.3432 112.028 PRESSAVG: 72000 -45.665 -20.7999 -2.48221 -20.7999 28.5479 6.33769 -2.48226 6.33774 -16.3887 GPRESSAVG: 72000 -45.4254 -20.6914 -0.689316 -22.6013 28.9059 4.82974 -4.13358 9.47587 -17.3992 TIMING: 72000 CPU: 224.385, 0.00313245/step Wall: 224.385, 0.00313245/step, 4.28797 hours remaining, 225.335938 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: 72000 3968.9311 20495.9504 14648.9301 278.5672 -203125.5646 2956.2805 0.0000 0.0000 52130.6172 -108646.2881 299.5954 -160776.9053 -108290.2325 298.9706 60.7370 87.1249 765428.9301 -11.1686 -11.3062 PRESSURE: 72200 -308.051 -13.1338 160.871 -13.1342 -77.4087 -14.8092 160.871 -14.8095 -88.5912 GPRESSURE: 72200 -326.761 12.71 203.857 -16.1481 2.84891 34.0932 32.4219 -51.3029 -94.3151 PRESSAVG: 72200 -5.68532 -32.5281 -28.9844 -32.5281 -14.1657 -5.94083 -28.9844 -5.94084 -2.71941 GPRESSAVG: 72200 -5.69918 -32.1998 -28.9187 -32.8132 -14.9877 -5.76741 -28.1238 -6.87787 -1.69594 TIMING: 72200 CPU: 225.007, 0.00311299/step Wall: 225.007, 0.00311299/step, 4.26116 hours remaining, 225.312500 MB of memory in use. ENERGY: 72200 3953.0122 20510.9721 14549.6129 249.4722 -202822.1066 2736.0914 0.0000 0.0000 52037.4222 -108785.5236 299.0598 -160822.9458 -108420.8759 299.1011 -158.0170 -139.4092 766826.7684 -7.5235 -7.4609 LDB: ============= START OF LOAD BALANCING ============== 237.484 LDB: ============== END OF LOAD BALANCING =============== 237.485 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 237.486 LDB: ============= START OF LOAD BALANCING ============== 237.797 LDB: Largest compute 7010 load 0.030637 is 15.8% of average load 0.194375 LDB: Average compute 0.004356 is 2.2% of average load 0.194375 LDB: TIME 237.8 LOAD: AVG 0.194375 MAX 0.219292 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 227.164 MB LDB: TIME 237.8 LOAD: AVG 0.194375 MAX 0.219292 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 227.406 MB LDB: TIME 237.801 LOAD: AVG 0.194375 MAX 0.216786 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 227.406 MB LDB: ============== END OF LOAD BALANCING =============== 237.803 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 237.807 PRESSURE: 72400 -650.686 151.676 -87.1146 151.676 -13.8611 98.3084 -87.1141 98.3087 -193.76 GPRESSURE: 72400 -505.576 154.941 -44.7639 126.26 -61.2336 82.7259 -135.025 17.391 -210.655 PRESSAVG: 72400 -49.6437 -18.7682 16.6822 -18.7681 33.9427 -33.9797 16.6822 -33.9797 12.7607 GPRESSAVG: 72400 -49.1497 -18.8164 17.2162 -17.6386 33.9091 -34.8123 14.7483 -34.3524 12.4736 TIMING: 72400 CPU: 225.641, 0.00317087/step Wall: 225.641, 0.00317087/step, 4.34022 hours remaining, 225.371094 MB of memory in use. ENERGY: 72400 4007.7834 20378.2800 14625.6545 239.8722 -202580.1815 2788.9409 0.0000 0.0000 51685.5676 -108854.0828 297.0377 -160539.6504 -108487.6222 299.0364 -286.1025 -259.1548 766450.8180 -0.9801 -0.9223 PRESSURE: 72600 -75.0147 74.9919 224.361 74.9913 -107.377 175.204 224.361 175.205 -341.924 GPRESSURE: 72600 -95.9065 176.552 199.845 52.914 -20.2533 76.572 218.772 196.289 -313.32 PRESSAVG: 72600 -11.9481 12.277 -8.88568 12.277 12.1817 -51.0307 -8.88575 -51.0307 -0.727123 GPRESSAVG: 72600 -12.8316 11.0403 -10.2445 11.9581 13.0889 -47.8788 -8.02434 -52.8695 -0.231789 TIMING: 72600 CPU: 226.265, 0.0031176/step Wall: 226.265, 0.0031176/step, 4.26713 hours remaining, 225.574219 MB of memory in use. ENERGY: 72600 4003.4596 20419.8029 14559.1692 255.0715 -203216.8123 3284.5583 0.0000 0.0000 51959.2326 -108735.5181 298.6104 -160694.7507 -108367.4827 298.6088 -174.7719 -143.1598 766334.0980 -0.1645 0.0085 PRESSURE: 72800 -82.2407 166.129 46.1263 166.129 -126.929 -34.9361 46.1267 -34.936 -71.0951 GPRESSURE: 72800 -110.055 49.8604 83.5878 156.814 -2.43094 -18.7075 10.6393 -89.8937 -97.0897 PRESSAVG: 72800 1.04452 -0.664432 55.6148 -0.664415 14.2118 -37.601 55.6148 -37.601 -11.1657 GPRESSAVG: 72800 1.13384 1.18521 56.6282 -0.716851 12.9981 -38.8665 53.0555 -36.5069 -10.4779 TIMING: 72800 CPU: 226.886, 0.00310675/step Wall: 226.886, 0.00310675/step, 4.25211 hours remaining, 225.574219 MB of memory in use. ENERGY: 72800 4021.4171 20355.5152 14535.8711 249.7603 -203228.8389 2939.2812 0.0000 0.0000 52104.5319 -109022.4620 299.4455 -161126.9940 -108661.5341 298.8132 -93.4215 -69.8587 765101.2298 1.3635 1.2180 PRESSURE: 73000 159.736 103.005 -110.475 103.006 -34.009 40.4696 -110.475 40.4688 -240.603 GPRESSURE: 73000 210.65 128.689 -126.906 58.034 -80.9261 11.7226 91.018 36.4768 -170.014 PRESSAVG: 73000 27.1701 -37.4365 36.049 -37.4364 -52.6417 3.89184 36.0489 3.8918 4.53132 GPRESSAVG: 73000 27.1093 -38.0961 34.4007 -39.0699 -51.9704 4.17854 39.3403 3.59765 3.79275 TIMING: 73000 CPU: 227.507, 0.00310435/step Wall: 227.507, 0.00310435/step, 4.24864 hours remaining, 225.574219 MB of memory in use. ENERGY: 73000 3951.0365 20388.4971 14592.0972 249.7713 -202958.6051 2736.1509 0.0000 0.0000 52188.5425 -108852.5096 299.9283 -161041.0522 -108490.2786 299.0847 -38.2922 -13.4301 765508.4016 -6.9801 -7.0228 PRESSURE: 73200 187.469 -27.6034 -67.349 -27.6033 250.54 185.208 -67.3496 185.209 636.019 GPRESSURE: 73200 236.526 -114.009 -66.7958 -110.453 288.25 49.7486 -29.4814 86.3956 628.524 PRESSAVG: 73200 8.19658 -23.1145 -29.1171 -23.1145 33.4625 40.6102 -29.117 40.6102 19.6121 GPRESSAVG: 73200 8.86849 -22.0833 -28.7 -21.5087 33.8732 38.096 -30.1492 41.653 18.8684 TIMING: 73200 CPU: 228.129, 0.00310973/step Wall: 228.129, 0.00310973/step, 4.25583 hours remaining, 225.574219 MB of memory in use. ENERGY: 73200 3813.4314 20634.2885 14578.0150 240.2146 -203392.6167 3208.0446 0.0000 0.0000 52042.6827 -108875.9399 299.0900 -160918.6227 -108512.2502 298.9816 358.0092 384.4335 765231.9801 20.4237 20.5367 PRESSURE: 73400 227.29 -51.4635 -104.379 -51.464 -404.118 147.3 -104.38 147.299 -566.831 GPRESSURE: 73400 133.681 -82.0071 -34.4738 -12.7539 -335.417 154.946 -43.2624 232.731 -440.757 PRESSAVG: 73400 36.9083 10.6016 18.6201 10.6016 -24.9215 9.1913 18.6201 9.19136 -13.5303 GPRESSAVG: 73400 36.3264 8.50598 20.2934 11.7698 -26.3331 10.0421 18.2283 9.77651 -11.3878 TIMING: 73400 CPU: 228.752, 0.00311719/step Wall: 228.752, 0.00311719/step, 4.26588 hours remaining, 225.613281 MB of memory in use. ENERGY: 73400 3986.0542 20531.5118 14568.8051 238.6232 -202687.9969 2709.2551 0.0000 0.0000 51821.7385 -108832.0090 297.8202 -160653.7475 -108469.0278 298.6555 -247.8861 -214.1645 765886.1281 -0.5145 -0.4648 PRESSURE: 73600 -316.605 173.684 -245.695 173.683 -207.711 -60.8203 -245.695 -60.8207 -64.9675 GPRESSURE: 73600 -195.247 149.775 -273.602 165.823 -201.593 -93.8805 -221.907 2.22223 -108.637 PRESSAVG: 73600 8.68289 -27.3148 -34.6824 -27.3149 -27.9625 37.8834 -34.6824 37.8833 -2.04662 GPRESSAVG: 73600 9.29318 -24.9194 -36.8334 -30.0264 -27.9063 38.671 -33.0778 38.209 -2.95257 TIMING: 73600 CPU: 229.376, 0.00311943/step Wall: 229.376, 0.00311943/step, 4.26876 hours remaining, 225.613281 MB of memory in use. ENERGY: 73600 3976.9052 20531.5982 14538.1221 233.0229 -202752.4276 2606.4925 0.0000 0.0000 51973.2755 -108893.0112 298.6911 -160866.2867 -108536.9151 298.9173 -196.4280 -168.4923 764155.4196 -7.1087 -7.1886 PRESSURE: 73800 -94.2217 -86.6516 111.29 -86.651 -44.2786 -257.877 111.289 -257.877 -172.773 GPRESSURE: 73800 53.3117 -104.247 85.0697 -88.8951 -116.084 -184.121 33.1299 -396.225 -170.575 PRESSAVG: 73800 -30.1802 7.43334 3.47436 7.43335 -6.98451 -27.4233 3.47444 -27.4233 5.32445 GPRESSAVG: 73800 -29.9655 4.03005 3.21163 10.9356 -7.55264 -26.5555 2.58297 -29.0262 5.47759 TIMING: 73800 CPU: 230.004, 0.00313889/step Wall: 230.004, 0.00313889/step, 4.29522 hours remaining, 225.613281 MB of memory in use. ENERGY: 73800 3916.7648 20485.2462 14556.8336 236.4744 -202851.0386 2687.1779 0.0000 0.0000 51959.3836 -109009.1583 298.6113 -160968.5419 -108646.9840 299.0991 -103.7579 -77.7824 762530.2573 -10.6134 -10.6802 PRESSURE: 74000 -104.183 136.593 124.198 136.594 -60.0293 70.4292 124.198 70.4287 84.5309 GPRESSURE: 74000 -208.753 -52.6911 85.8545 163.977 32.7711 36.5873 108.97 31.6266 182.449 PRESSAVG: 74000 21.1975 0.0679143 -15.3078 0.0679607 7.89552 -24.1122 -15.3078 -24.1122 21.0097 GPRESSAVG: 74000 20.851 1.37677 -13.0266 -2.87891 8.5702 -24.16 -18.124 -23.0139 20.7043 TIMING: 74000 CPU: 230.628, 0.00312142/step Wall: 230.628, 0.00312142/step, 4.27115 hours remaining, 225.613281 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: 74000 3910.0693 20572.7985 14474.9384 242.0376 -203104.5516 2996.6569 0.0000 0.0000 52087.7771 -108820.2736 299.3492 -160908.0507 -108440.6577 299.1387 -26.5605 2.1555 764746.4337 16.7009 16.7085 PRESSURE: 74200 -183.683 -36.3266 196.847 -36.3266 14.5422 77.4032 196.847 77.4038 -539.383 GPRESSURE: 74200 -82.1619 11.0317 132.64 -41.1577 -3.63102 122.017 173.756 64.6514 -522.658 PRESSAVG: 74200 -27.6702 13.9751 17.9241 13.9751 49.6558 46.3782 17.9242 46.3783 5.91719 GPRESSAVG: 74200 -25.976 12.8149 15.5037 15.7032 48.2449 46.6857 22.0146 45.0174 5.71185 TIMING: 74200 CPU: 231.251, 0.00311301/step Wall: 231.251, 0.00311301/step, 4.25947 hours remaining, 225.613281 MB of memory in use. ENERGY: 74200 4086.2462 20482.3116 14588.2484 257.5504 -203216.0711 3080.2184 0.0000 0.0000 52096.1799 -108625.3162 299.3975 -160721.4960 -108268.4020 299.4248 -236.1745 -202.8169 764120.6950 9.3009 9.3269 PRESSURE: 74400 328.145 -29.3095 -54.3032 -29.3094 -25.9712 -32.4828 -54.304 -32.4831 248.849 GPRESSURE: 74400 403.425 10.4825 -61.0207 -28.4699 -26.2344 -83.2873 -42.0892 -59.749 270.14 PRESSAVG: 74400 -3.52352 -4.8993 11.0763 -4.89931 -16.6313 52.3054 11.0763 52.3054 -13.6452 GPRESSAVG: 74400 -5.51295 -2.4021 14.1879 -5.60951 -14.8792 52.5275 8.04438 53.7824 -13.4711 TIMING: 74400 CPU: 231.873, 0.00310729/step Wall: 231.873, 0.00310729/step, 4.25146 hours remaining, 225.613281 MB of memory in use. ENERGY: 74400 4004.3234 20403.2442 14526.8051 254.6155 -202806.1923 2697.5792 0.0000 0.0000 52056.1439 -108863.4810 299.1674 -160919.6249 -108493.9407 299.0933 183.6741 215.7770 763989.1790 -11.2667 -11.2877 PRESSURE: 74600 -102.146 -76.9557 25.1772 -76.9553 -202.801 -160.421 25.1766 -160.422 -108.24 GPRESSURE: 74600 -30.2531 -91.28 74.6178 -59.231 -200.047 -180.44 88.4856 -180.312 -89.5345 PRESSAVG: 74600 32.7882 3.38631 -15.9171 3.38628 33.1128 52.5491 -15.9172 52.5491 24.2763 GPRESSAVG: 74600 32.5211 2.42218 -17.3596 2.83251 31.8017 52.5113 -14.3562 50.9823 25.1991 TIMING: 74600 CPU: 232.495, 0.00311203/step Wall: 232.495, 0.00311203/step, 4.25778 hours remaining, 225.613281 MB of memory in use. ENERGY: 74600 4053.7418 20676.4749 14517.8914 244.9676 -202963.1055 2640.0549 0.0000 0.0000 51946.3931 -108883.5818 298.5366 -160829.9749 -108526.0446 299.6161 -137.7290 -106.6116 763556.2920 30.0591 29.8407 PRESSURE: 74800 423.755 28.4337 -216.663 28.4336 183.012 -85.3764 -216.663 -85.3763 277.191 GPRESSURE: 74800 477.846 79.6089 -224.996 77.3924 172.466 -13.6516 -168.926 -109.711 309.446 PRESSAVG: 74800 40.021 -56.9299 -2.36156 -56.9298 -56.5584 -9.42726 -2.36151 -9.42711 5.30677 GPRESSAVG: 74800 40.1617 -55.9729 -4.39625 -58.3829 -56.2939 -7.53132 -2.64638 -9.24447 5.16849 TIMING: 74800 CPU: 233.118, 0.00311349/step Wall: 233.118, 0.00311349/step, 4.2596 hours remaining, 225.613281 MB of memory in use. ENERGY: 74800 3956.6918 20535.5843 14524.8931 255.4036 -203327.1107 3085.8546 0.0000 0.0000 52050.0852 -108918.5981 299.1326 -160968.6832 -108563.0321 299.4987 294.6528 319.9193 762750.3024 -3.7436 -3.6546 PRESSURE: 75000 123.672 18.4088 -292.247 18.4087 3.78247 170.634 -292.247 170.634 83.5579 GPRESSURE: 75000 177.774 34.8059 -291.55 30.906 33.85 141.579 -174.02 237.772 76.2931 PRESSAVG: 75000 -16.1003 1.0946 11.3114 1.0946 49.3253 1.10213 11.3114 1.10216 -7.06555 GPRESSAVG: 75000 -15.1672 -0.225379 13.3602 0.477148 48.6991 -2.37478 10.9512 3.49542 -7.5614 TIMING: 75000 CPU: 233.742, 0.00312015/step Wall: 233.742, 0.00312015/step, 4.26854 hours remaining, 225.613281 MB of memory in use. ENERGY: 75000 4038.5763 20540.1168 14548.2425 276.1104 -202808.5872 2501.0026 0.0000 0.0000 52059.2856 -108845.2530 299.1854 -160904.5386 -108490.7625 298.9534 70.3376 95.9723 762458.7245 8.7198 8.6568 PRESSURE: 75200 -130.046 44.6303 102.315 44.6311 43.1461 -11.9918 102.314 -11.9913 70.2086 GPRESSURE: 75200 -98.6974 84.9339 223.26 83.0741 53.4026 54.3667 77.6071 -126.679 122.15 PRESSAVG: 75200 39.8373 -26.022 31.6992 -26.022 -37.7371 -23.5494 31.6991 -23.5493 14.2865 GPRESSAVG: 75200 38.8228 -25.9717 31.7115 -25.4345 -36.9522 -22.3767 34.2624 -24.3868 15.0112 TIMING: 75200 CPU: 234.366, 0.00312026/step Wall: 234.366, 0.00312026/step, 4.26852 hours remaining, 225.613281 MB of memory in use. ENERGY: 75200 3957.6990 20562.2046 14576.9040 235.9213 -202904.5131 2660.9146 0.0000 0.0000 51958.6359 -108952.2338 298.6070 -160910.8696 -108577.2321 298.9050 -5.5637 25.6185 764656.8077 5.4622 5.6272 PRESSURE: 75400 144.191 -65.4789 113.263 -65.4779 -117.899 -212.284 113.263 -212.284 -10.1333 GPRESSURE: 75400 217.418 -16.5519 103.873 1.857 -51.8321 -210.833 90.0239 -241.541 -67.3665 PRESSAVG: 75400 -71.3338 -4.54057 -10.4337 -4.54062 30.8123 -40.7514 -10.4338 -40.7514 -11.1747 GPRESSAVG: 75400 -71.0868 -4.75805 -8.86287 -2.90283 30.6494 -42.5003 -12.1799 -40.1778 -11.2671 TIMING: 75400 CPU: 234.99, 0.00312301/step Wall: 234.99, 0.00312301/step, 4.27211 hours remaining, 225.613281 MB of memory in use. ENERGY: 75400 3931.9651 20573.7408 14517.6422 241.4387 -203050.1941 2758.3130 0.0000 0.0000 52364.3967 -108662.6977 300.9389 -161027.0943 -108291.5311 299.5176 5.3864 32.7398 765548.2608 -17.2320 -17.2348 PRESSURE: 75600 0.283009 -142.178 -15.0809 -142.178 95.3426 77.2331 -15.0798 77.2329 149.513 GPRESSURE: 75600 130.49 -74.9203 -14.1147 -14.0406 90.4334 49.9411 -16.3728 100.986 113.824 PRESSAVG: 75600 -23.3708 52.8664 24.3524 52.8663 -34.0797 36.1503 24.3524 36.1503 22.4604 GPRESSAVG: 75600 -22.3886 52.3228 23.4114 52.251 -33.8239 36.3973 23.0982 33.0752 21.3856 TIMING: 75600 CPU: 235.614, 0.00311894/step Wall: 235.614, 0.00311894/step, 4.26637 hours remaining, 225.613281 MB of memory in use. ENERGY: 75600 4012.9047 20510.8989 14593.7988 231.1694 -203220.7962 3129.8268 0.0000 0.0000 52392.4504 -108349.7472 301.1001 -160742.1976 -107971.5245 300.1382 81.7128 111.5824 765731.6891 -11.6634 -11.6090 PRESSURE: 75800 339.012 -189.417 -145.369 -189.416 269.803 62.5413 -145.369 62.5417 -136.646 GPRESSURE: 75800 338.284 -198.111 -150.655 -142.353 268.198 113.055 -124.527 20.2419 -53.0366 PRESSAVG: 75800 56.2749 2.61076 27.0661 2.6107 -36.3956 -16.4906 27.0662 -16.4906 -38.3654 GPRESSAVG: 75800 56.4423 3.29446 25.9908 1.02959 -36.5659 -15.0756 29.3651 -17.1052 -38.5997 TIMING: 75800 CPU: 236.236, 0.00311079/step Wall: 236.236, 0.00311078/step, 4.25503 hours remaining, 225.667969 MB of memory in use. ENERGY: 75800 3945.7472 20668.8542 14560.6220 249.9237 -203181.1665 2980.7431 0.0000 0.0000 52385.5799 -108389.6964 301.0606 -160775.2763 -108026.2035 300.3618 157.3896 184.4820 764366.1606 -6.1620 -6.2411 PRESSURE: 76000 136.707 113.695 16.9472 113.697 116.264 82.2796 16.9466 82.2809 -159.344 GPRESSURE: 76000 142.58 3.95879 -76.9955 157.889 142.605 107.151 103.766 66.4595 -124.242 PRESSAVG: 76000 -10.939 -20.8781 -13.9508 -20.8781 -18.3946 -33.5155 -13.9508 -33.5154 3.46158 GPRESSAVG: 76000 -11.1294 -20.5138 -13.0092 -19.9711 -18.2734 -34.8729 -14.4861 -30.5627 3.31717 TIMING: 76000 CPU: 236.861, 0.00312534/step Wall: 236.861, 0.00312534/step, 4.27477 hours remaining, 225.675781 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: 76000 4014.2491 20535.8860 14643.0343 252.4989 -202691.2253 2727.3495 0.0000 0.0000 52227.1330 -108291.0746 300.1501 -160518.2075 -107933.1438 300.3523 31.2087 53.6477 765148.3272 -8.6240 -8.6952 PRESSURE: 76200 -10.8901 5.20989 -72.4258 5.20899 47.9615 -38.9991 -72.4258 -38.9987 -117.084 GPRESSURE: 76200 -1.79944 51.3916 -33.4538 36.4772 145.626 -46.4394 -89.4876 -20.0823 -155.78 PRESSAVG: 76200 -1.84027 21.2582 -21.6814 21.2582 10.1718 9.63618 -21.6814 9.63619 -3.13527 GPRESSAVG: 76200 -2.46152 21.8984 -21.9673 19.8723 11.6606 11.2726 -20.6885 7.61904 -3.82306 TIMING: 76200 CPU: 237.484, 0.00311584/step Wall: 237.484, 0.00311584/step, 4.26161 hours remaining, 225.675781 MB of memory in use. ENERGY: 76200 3945.4801 20713.4439 14534.4067 244.1100 -202584.3998 2606.9726 0.0000 0.0000 52149.8088 -108390.1776 299.7057 -160539.9865 -108014.1242 300.1681 -26.6708 -3.9845 764247.1682 1.7321 1.7920 LDB: ============= START OF LOAD BALANCING ============== 249.961 LDB: ============== END OF LOAD BALANCING =============== 249.961 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 249.963 LDB: ============= START OF LOAD BALANCING ============== 250.273 LDB: Largest compute 7052 load 0.030236 is 15.5% of average load 0.194504 LDB: Average compute 0.004345 is 2.2% of average load 0.194504 LDB: TIME 250.277 LOAD: AVG 0.194504 MAX 0.214628 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 227.266 MB LDB: TIME 250.277 LOAD: AVG 0.194504 MAX 0.214628 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 227.469 MB LDB: TIME 250.277 LOAD: AVG 0.194504 MAX 0.214628 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 227.469 MB LDB: ============== END OF LOAD BALANCING =============== 250.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 250.284 PRESSURE: 76400 330.012 -165.387 151.21 -165.387 -33.5895 50.2846 151.211 50.2847 152.944 GPRESSURE: 76400 303.508 -106.665 115.224 -53.438 11.4067 53.4402 220.342 11.4764 204.405 PRESSAVG: 76400 7.15924 -66.584 39.9036 -66.584 1.27564 32.7656 39.9036 32.7656 19.0417 GPRESSAVG: 76400 7.05414 -68.1084 42.4273 -63.8565 0.542418 32.1672 38.1417 33.9448 19.8348 TIMING: 76400 CPU: 238.119, 0.00317068/step Wall: 238.119, 0.00317068/step, 4.33643 hours remaining, 228.085938 MB of memory in use. ENERGY: 76400 3915.1173 20895.5160 14589.6002 243.8659 -202964.3431 2886.9053 0.0000 0.0000 52196.5435 -108236.7949 299.9743 -160433.3384 -107877.0986 300.1548 149.7887 173.1066 765281.2628 9.1589 9.1438 PRESSURE: 76600 78.7768 -159.773 43.5049 -159.773 190.433 142.689 43.5037 142.688 140.27 GPRESSURE: 76600 143.413 -131.999 5.69569 -119.248 224.166 97.7862 72.667 95.203 133.611 PRESSAVG: 76600 66.9024 -53.9998 31.9201 -53.9998 -27.7574 65.611 31.9201 65.611 26.2215 GPRESSAVG: 76600 68.8089 -52.5829 30.6291 -54.0173 -28.5361 65.025 31.6685 64.3301 25.4605 TIMING: 76600 CPU: 238.74, 0.00310744/step Wall: 238.74, 0.00310744/step, 4.24977 hours remaining, 228.585938 MB of memory in use. ENERGY: 76600 3914.1174 20792.2018 14563.8405 241.4305 -202951.4944 2807.8234 0.0000 0.0000 52486.4805 -108145.6003 301.6405 -160632.0808 -107788.0494 300.8077 136.4933 167.0629 764151.3593 21.7889 21.9111 PRESSURE: 76800 37.3254 -39.377 -191.58 -39.3775 66.2968 46.1064 -191.581 46.1071 -135.563 GPRESSURE: 76800 60.2966 -58.1465 -236.832 -14.857 144.342 12.181 -195.838 103.553 -154.735 PRESSAVG: 76800 2.38602 -10.1397 -5.74628 -10.1396 -6.54889 -5.65614 -5.7463 -5.65614 19.7235 GPRESSAVG: 76800 2.52035 -8.75651 -7.25131 -11.5852 -6.09595 -5.8174 -4.87824 -6.68513 19.2316 TIMING: 76800 CPU: 239.358, 0.00309133/step Wall: 239.358, 0.00309133/step, 4.22756 hours remaining, 228.601562 MB of memory in use. ENERGY: 76800 4076.4106 20696.1001 14543.4055 257.1596 -202456.4212 2598.1389 0.0000 0.0000 52268.3973 -108016.8091 300.3872 -160285.2065 -107656.0056 300.8339 -10.6469 16.6346 764856.1521 5.1869 5.2187 PRESSURE: 77000 -32.4307 -69.7867 103.279 -69.7862 203.84 75.7524 103.279 75.7529 -75.6263 GPRESSURE: 77000 -81.9404 -43.4535 178.285 -37.4028 317.607 60.7395 10.9275 155.578 -51.5713 PRESSAVG: 77000 -8.10681 -60.7951 5.23951 -60.7951 -21.7527 -48.516 5.23948 -48.5161 -16.1392 GPRESSAVG: 77000 -9.7428 -60.8466 5.27519 -60.0365 -20.4478 -47.5149 4.37511 -47.8769 -15.245 TIMING: 77000 CPU: 239.979, 0.00310411/step Wall: 239.979, 0.00310411/step, 4.24488 hours remaining, 228.601562 MB of memory in use. ENERGY: 77000 3987.2322 20650.0710 14562.5005 266.9297 -202864.9770 2957.0651 0.0000 0.0000 52235.4887 -108205.6898 300.1981 -160441.1785 -107838.2629 300.7166 31.9276 61.3651 764533.3659 -15.3329 -15.1452 PRESSURE: 77200 33.1155 -4.48567 -106.145 -4.48614 -178.811 56.2958 -106.146 56.2949 -170.551 GPRESSURE: 77200 80.8813 87.2578 -34.091 13.3217 -115.403 3.71877 -128.469 -3.81719 -194.803 PRESSAVG: 77200 43.8629 -8.49074 35.5664 -8.49079 -17.4279 -30.6829 35.5664 -30.6828 -4.98478 GPRESSAVG: 77200 44.9131 -10.2243 36.0992 -8.25484 -19.1349 -29.828 35.3759 -28.7088 -3.87901 TIMING: 77200 CPU: 240.601, 0.00311057/step Wall: 240.601, 0.00311057/step, 4.25353 hours remaining, 228.601562 MB of memory in use. ENERGY: 77200 3978.0689 20482.6557 14620.3738 250.0283 -202573.7653 2745.7948 0.0000 0.0000 52166.2830 -108330.5608 299.8003 -160496.8438 -107962.8710 299.9797 -105.4153 -76.4418 766443.3720 7.1501 7.2997 PRESSURE: 77400 21.7624 -62.6525 -280.196 -62.6518 -242.679 -39.1708 -280.197 -39.1707 -154.422 GPRESSURE: 77400 64.9144 -108.378 -199.609 -72.7518 -163.581 -66.7265 -277.081 -119.623 -195.478 PRESSAVG: 77400 2.78997 2.17814 -9.98814 2.17815 -18.8602 38.7469 -9.98826 38.7469 -35.8408 GPRESSAVG: 77400 2.54784 2.25782 -8.84975 1.16142 -18.0524 37.8432 -7.96248 37.2298 -36.2739 TIMING: 77400 CPU: 241.222, 0.00310406/step Wall: 241.222, 0.00310406/step, 4.24445 hours remaining, 228.601562 MB of memory in use. ENERGY: 77400 4012.1569 20493.7599 14527.9169 235.9095 -202516.5430 2794.2934 0.0000 0.0000 52171.2338 -108281.2726 299.8288 -160452.5064 -107911.2717 299.9561 -125.1132 -98.0480 765641.3750 -17.3037 -17.2595 PRESSURE: 77600 181.636 4.7087 -137.533 4.70921 250.855 -14.0182 -137.534 -14.0186 200.477 GPRESSURE: 77600 189.332 -25.5399 -89.0886 64.5503 300.395 12.6207 -197.228 -133.212 192.341 PRESSAVG: 77600 35.5916 -12.1721 -28.0873 -12.172 21.0075 -5.74243 -28.0874 -5.74243 19.8233 GPRESSAVG: 77600 36.2269 -12.6704 -28.403 -10.9707 20.2389 -7.596 -29.8658 -4.36152 19.6397 TIMING: 77600 CPU: 241.842, 0.00309845/step Wall: 241.842, 0.00309845/step, 4.23662 hours remaining, 228.601562 MB of memory in use. ENERGY: 77600 3966.5042 20313.3161 14619.3705 256.6501 -202924.1668 2974.6527 0.0000 0.0000 52290.6641 -108503.0091 300.5152 -160793.6732 -108136.7456 299.6992 210.9896 227.3562 764859.6302 25.4741 25.3685 PRESSURE: 77800 -39.729 -48.7607 -164.385 -48.761 -55.8602 96.359 -164.384 96.3592 231.636 GPRESSURE: 77800 101.435 -68.4847 -189.816 -31.8102 -48.5544 162.646 -175.05 77.7562 196.8 PRESSAVG: 77800 -4.23645 -3.92695 -15.9174 -3.92695 18.9163 18.24 -15.9174 18.2401 0.616817 GPRESSAVG: 77800 -3.76792 -4.48471 -16.0449 -2.86879 19.1057 19.8697 -17.0105 17.4392 0.429024 TIMING: 77800 CPU: 242.465, 0.00311803/step Wall: 242.465, 0.00311803/step, 4.26321 hours remaining, 228.601562 MB of memory in use. ENERGY: 77800 3978.1820 20555.1946 14610.4040 231.7205 -202652.3769 2657.1997 0.0000 0.0000 52172.0273 -108447.6488 299.8334 -160619.6761 -108089.4883 300.2681 45.3487 83.2268 765153.5985 5.0989 5.2556 PRESSURE: 78000 -22.2997 -51.7316 76.4402 -51.7321 351.492 282.158 76.4403 282.158 -321.224 GPRESSURE: 78000 59.9205 -142.382 100.297 -51.126 340.995 351.131 -158.035 300.831 -309.272 PRESSAVG: 78000 -15.8763 7.93898 11.4871 7.93898 -10.4235 -17.0291 11.4871 -17.029 8.50946 GPRESSAVG: 78000 -15.7626 7.70737 12.2719 6.7098 -10.2289 -16.5222 11.869 -17.7857 8.65104 TIMING: 78000 CPU: 243.09, 0.00312249/step Wall: 243.09, 0.00312249/step, 4.26913 hours remaining, 228.601562 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: 78000 4011.1880 20351.7581 14622.4251 255.7794 -202551.6541 2863.9832 0.0000 0.0000 52077.3565 -108369.1638 299.2893 -160446.5203 -108004.0327 300.0050 2.6560 30.5477 765553.5618 -5.9301 -5.7802 PRESSURE: 78200 -45.9746 36.7291 9.33202 36.729 -124.541 166.603 9.3315 166.601 -334.171 GPRESSURE: 78200 5.70392 213.121 -26.2146 88.7693 -92.6807 192.91 -4.05973 250.294 -342.315 PRESSAVG: 78200 -37.2593 -6.11919 -27.5773 -6.11917 19.2863 0.849141 -27.5773 0.84917 -6.34869 GPRESSAVG: 78200 -38.0546 -5.3315 -28.2526 -7.87529 19.5869 -0.504559 -27.9608 1.83608 -6.47738 TIMING: 78200 CPU: 243.717, 0.0031366/step Wall: 243.717, 0.0031366/step, 4.28826 hours remaining, 228.601562 MB of memory in use. ENERGY: 78200 3973.2658 20483.9084 14522.5005 244.9457 -202448.9997 2736.9239 0.0000 0.0000 52265.8871 -108221.5683 300.3728 -160487.4554 -107842.1281 300.1623 -168.2287 -143.0972 765150.8921 -8.1072 -8.3150 PRESSURE: 78400 247.369 -38.7276 -349.195 -38.7277 1.75538 -127.163 -349.194 -127.163 3.36565 GPRESSURE: 78400 297.771 -194.314 -243.473 43.8791 139.864 -95.8587 -245.958 -141.805 -77.2592 PRESSAVG: 78400 -4.54408 -47.6615 -3.27704 -47.6615 22.2014 38.0911 -3.27699 38.091 -27.7546 GPRESSAVG: 78400 -4.87697 -46.1407 -2.13717 -46.6456 22.4696 40.0663 -2.98648 38.9558 -27.8151 TIMING: 78400 CPU: 244.342, 0.0031233/step Wall: 244.342, 0.0031233/step, 4.26989 hours remaining, 228.585938 MB of memory in use. ENERGY: 78400 3935.1577 20623.0641 14500.8829 258.7409 -202579.1473 2846.2159 0.0000 0.0000 52223.1848 -108191.9009 300.1274 -160415.0858 -107831.4266 300.3121 84.1632 120.1252 764183.8179 -3.3658 -3.4075 PRESSURE: 78600 129.292 28.8246 -105.49 28.8237 -186.082 -4.0279 -105.49 -4.02775 411.25 GPRESSURE: 78600 163.244 6.97526 -62.0353 -80.5464 -138.046 41.0253 -154.432 -15.0098 431.577 PRESSAVG: 78600 -27.4443 8.95737 -4.13187 8.95738 42.6061 -1.2467 -4.13184 -1.2467 3.57191 GPRESSAVG: 78600 -27.6739 6.3375 -4.55508 8.43846 42.6207 -3.54707 -5.25149 -1.1587 4.0225 TIMING: 78600 CPU: 244.967, 0.00312716/step Wall: 244.967, 0.00312716/step, 4.275 hours remaining, 228.585938 MB of memory in use. ENERGY: 78600 3961.8418 20542.2056 14580.2195 262.4093 -202215.5714 2618.1078 0.0000 0.0000 52158.6452 -108092.1421 299.7565 -160250.7873 -107722.7401 300.5075 118.1532 152.2583 765352.2515 6.2446 6.3231 PRESSURE: 78800 -139.107 7.71516 3.74325 7.71476 66.0125 49.3767 3.74229 49.3757 484.202 GPRESSURE: 78800 -5.80207 -41.3842 -59.6605 27.5657 32.0811 -28.8399 -73.0823 163.628 464.27 PRESSAVG: 78800 -29.7563 -11.0443 -0.672564 -11.0443 8.99496 -13.2943 -0.672583 -13.2942 -10.5131 GPRESSAVG: 78800 -28.7159 -10.7177 -2.35715 -10.9976 8.44905 -12.6085 -1.62579 -14.1149 -11.4464 TIMING: 78800 CPU: 245.593, 0.00312634/step Wall: 245.593, 0.00312634/step, 4.27371 hours remaining, 228.601562 MB of memory in use. ENERGY: 78800 3960.6943 20610.0048 14553.2555 268.4863 -202679.0768 2876.3670 0.0000 0.0000 52054.8255 -108355.4434 299.1598 -160410.2689 -107991.9853 300.2685 137.0356 163.5163 765341.6341 -10.4248 -10.5711 PRESSURE: 79000 -289.165 -3.81756 -40.1049 -3.81798 -198.018 -198.275 -40.1043 -198.275 -228.733 GPRESSURE: 79000 -304.372 -22.4597 -88.0595 42.9444 -59.8162 -200.082 -86.4665 -88.9479 -304.146 PRESSAVG: 79000 -32.9978 -11.6715 -65.3486 -11.6716 57.5851 -12.5806 -65.3486 -12.5807 -8.68246 GPRESSAVG: 79000 -34.905 -12.9694 -65.4015 -10.097 58.7371 -12.4731 -63.2109 -12.4231 -8.15605 TIMING: 79000 CPU: 246.216, 0.00311888/step Wall: 246.216, 0.00311888/step, 4.26334 hours remaining, 228.585938 MB of memory in use. ENERGY: 79000 3969.9735 20613.3385 14596.2898 246.0219 -202489.0312 2677.9638 0.0000 0.0000 52115.5567 -108269.8871 299.5088 -160385.4438 -107914.7251 300.0764 -238.6388 -222.7779 766012.2708 5.3016 5.2253 PRESSURE: 79200 -226.298 34.7342 29.1302 34.7341 -323.452 100.087 29.1307 100.087 -256.936 GPRESSURE: 79200 -257.046 120.694 47.5708 -26.6594 -201.291 148.897 -86.1758 161.407 -250.41 PRESSAVG: 79200 -13.9169 -29.2105 4.67009 -29.2106 4.85975 26.2087 4.67011 26.2087 -3.1227 GPRESSAVG: 79200 -13.5268 -27.1264 5.88776 -31.8863 4.61661 25.4989 3.78103 26.6771 -3.48334 TIMING: 79200 CPU: 246.841, 0.00312567/step Wall: 246.841, 0.00312567/step, 4.27244 hours remaining, 228.601562 MB of memory in use. ENERGY: 79200 3996.8388 20452.0856 14597.8265 261.7378 -202799.9946 2880.0976 0.0000 0.0000 52143.5100 -108467.8983 299.6695 -160611.4083 -108100.5517 300.1653 -268.8957 -236.2489 765750.2057 -4.0600 -4.1312 PRESSURE: 79400 39.8732 16.164 139.773 16.1646 -202.109 -170.785 139.772 -170.785 -190.955 GPRESSURE: 79400 110.938 30.6174 126.528 45.886 -223.446 -128.116 76.6247 -143.585 -154.371 PRESSAVG: 79400 47.323 -41.8247 32.9656 -41.8247 -55.9997 46.4176 32.9656 46.4176 -38.2159 GPRESSAVG: 79400 46.9656 -43.3345 33.2058 -40.7494 -56.2906 46.7178 33.8697 45.6068 -37.8125 TIMING: 79400 CPU: 247.464, 0.003114/step Wall: 247.464, 0.00311399/step, 4.25631 hours remaining, 228.601562 MB of memory in use. ENERGY: 79400 4065.1858 20611.5166 14554.4899 253.4511 -202770.4333 2921.8016 0.0000 0.0000 51958.1381 -108405.8502 298.6041 -160363.9883 -108051.0440 299.7289 -117.7302 -88.9595 766208.7056 -15.6308 -15.7125 PRESSURE: 79600 143.859 -174.131 -31.1679 -174.13 225.583 39.7508 -31.1676 39.7508 -81.7684 GPRESSURE: 79600 250.94 -137.53 -131.176 -161.823 158.357 50.4304 42.591 -7.81384 -39.0545 PRESSAVG: 79600 2.34679 -30.8379 -31.8108 -30.8379 34.5441 -16.7466 -31.8107 -16.7465 0.29489 GPRESSAVG: 79600 2.94601 -29.9979 -32.7564 -29.9688 33.7487 -16.4259 -32.4332 -17.5226 0.486552 TIMING: 79600 CPU: 248.088, 0.00311655/step Wall: 248.088, 0.00311655/step, 4.25963 hours remaining, 228.601562 MB of memory in use. ENERGY: 79600 4007.7609 20533.3896 14560.3848 269.6765 -202985.4948 3100.8008 0.0000 0.0000 52055.0483 -108458.4338 299.1611 -160513.4822 -108090.6586 299.4044 95.8913 123.4144 764263.8667 12.3953 12.3938 PRESSURE: 79800 -2.22839 191.861 19.5226 191.862 109.652 65.196 19.5225 65.1963 -44.5882 GPRESSURE: 79800 -38.6417 190.92 3.21241 203.957 170.555 -15.0176 39.7965 189.306 9.19837 PRESSAVG: 79800 -48.5736 35.3063 -40.3612 35.3063 52.5123 28.9357 -40.3612 28.9356 11.275 GPRESSAVG: 79800 -48.5525 35.9298 -39.598 33.8938 52.2178 28.3656 -41.5893 30.2826 10.9551 TIMING: 79800 CPU: 248.713, 0.00312719/step Wall: 248.713, 0.00312719/step, 4.274 hours remaining, 228.601562 MB of memory in use. ENERGY: 79800 4005.1241 20461.1078 14547.8490 245.4413 -203169.4434 2869.8749 0.0000 0.0000 52394.1466 -108645.8998 301.1099 -161040.0464 -108272.6902 299.8689 20.9452 47.0371 765508.3326 5.0712 4.8735 PRESSURE: 80000 250.843 6.7025 97.7627 6.70095 -210.003 -27.6197 97.7643 -27.6187 344.779 GPRESSURE: 80000 197.346 -2.82596 103.083 -11.1383 -135.136 -8.33184 17.4076 -129.451 403.604 PRESSAVG: 80000 -37.1275 -63.0836 -5.07132 -63.0835 23.4961 -4.18993 -5.07132 -4.18995 7.87141 GPRESSAVG: 80000 -37.794 -63.6026 -4.79212 -63.463 24.6165 -4.49654 -5.04834 -5.96652 7.73547 TIMING: 80000 CPU: 249.337, 0.0031176/step Wall: 249.337, 0.0031176/step, 4.26072 hours remaining, 228.601562 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: 80000 3903.6061 20514.6971 14612.6930 237.6787 -202792.0626 2847.4508 0.0000 0.0000 51909.3724 -108766.5645 298.3239 -160675.9369 -108411.5922 299.1092 128.5398 155.2710 765955.2716 -1.9200 -1.8140 PRESSURE: 80200 111.334 180.512 117.015 180.512 233.913 249.023 117.015 249.024 139.576 GPRESSURE: 80200 144.29 -97.1995 65.2609 118.361 195.988 234.491 -6.84222 214.906 221.64 PRESSAVG: 80200 -34.7459 25.5454 -9.38985 25.5454 32.917 46.1274 -9.3898 46.1274 -10.0277 GPRESSAVG: 80200 -32.1339 24.7258 -10.8525 26.354 31.3114 46.8833 -6.86505 46.1158 -10.9718 TIMING: 80200 CPU: 249.961, 0.00312149/step Wall: 249.961, 0.00312149/step, 4.26587 hours remaining, 228.601562 MB of memory in use. ENERGY: 80200 3934.1151 20302.7233 14616.4974 254.7354 -203091.2965 3191.6713 0.0000 0.0000 51898.8689 -108892.6851 298.2635 -160791.5540 -108522.6588 298.3653 161.6077 187.3060 764486.2864 -3.9522 -3.9314 LDB: ============= START OF LOAD BALANCING ============== 262.439 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 262.439 LDB: =============== DONE WITH MIGRATION ================ 262.441 LDB: ============= START OF LOAD BALANCING ============== 262.754 LDB: Largest compute 6983 load 0.029925 is 15.4% of average load 0.194392 LDB: Average compute 0.004370 is 2.2% of average load 0.194392 LDB: TIME 262.757 LOAD: AVG 0.194392 MAX 0.214854 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 226.926 MB LDB: TIME 262.757 LOAD: AVG 0.194392 MAX 0.214854 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.926 MB LDB: TIME 262.758 LOAD: AVG 0.194392 MAX 0.214854 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.926 MB LDB: ============== END OF LOAD BALANCING =============== 262.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 262.764 PRESSURE: 80400 11.6338 101.918 -94.8543 101.917 -214.126 -66.5414 -94.8532 -66.5408 -470.812 GPRESSURE: 80400 11.816 -2.10596 -55.534 57.3033 -84.0505 -21.3676 -96.5092 32.8307 -507.174 PRESSAVG: 80400 34.4705 -18.3592 -16.2067 -18.3591 -8.75842 -4.27153 -16.2067 -4.27147 -0.282918 GPRESSAVG: 80400 32.3039 -18.1437 -14.387 -19.0859 -8.23439 -5.40137 -18.2525 -3.52532 0.368057 TIMING: 80400 CPU: 250.598, 0.00318801/step Wall: 250.598, 0.00318801/step, 4.3566 hours remaining, 225.984375 MB of memory in use. ENERGY: 80400 3970.4618 20638.9163 14545.2008 236.9527 -202932.0453 2780.6604 0.0000 0.0000 52072.2939 -108687.5595 299.2602 -160759.8534 -108335.5600 299.3798 -224.4346 -193.1362 765556.4468 8.4764 8.1458 PRESSURE: 80600 -219.722 -113.966 -306.304 -113.966 -110.997 -37.9788 -306.304 -37.9798 -224.682 GPRESSURE: 80600 -112.944 11.7001 -332.455 -55.3165 -111.24 -96.8269 -181.501 18.0505 -240.498 PRESSAVG: 80600 -16.8471 -28.1758 -46.624 -28.1758 13.6523 -6.29209 -46.624 -6.29209 -12.6875 GPRESSAVG: 80600 -16.4335 -27.0534 -48.3694 -28.453 13.4494 -5.50804 -44.2302 -7.77704 -12.9617 TIMING: 80600 CPU: 251.227, 0.00314431/step Wall: 251.227, 0.00314431/step, 4.2967 hours remaining, 225.984375 MB of memory in use. ENERGY: 80600 3938.6508 20614.0574 14531.4202 253.8773 -202719.2042 2619.9174 0.0000 0.0000 51835.2687 -108926.0124 297.8980 -160761.2810 -108562.2594 298.6207 -185.1338 -154.8940 766712.0441 -5.2941 -5.3153 PRESSURE: 80800 76.4038 142.643 -34.8636 142.642 -395.236 163.976 -34.8637 163.976 -172.489 GPRESSURE: 80800 36.1669 50.6937 -14.6065 82.162 -210.842 190.119 -56.5821 132.595 -234.05 PRESSAVG: 80800 34.4923 -40.8356 -12.5623 -40.8357 -22.0314 0.42821 -12.5624 0.428181 -6.02733 GPRESSAVG: 80800 34.9018 -41.8046 -11.7919 -38.868 -22.9531 1.41201 -13.7155 -0.0445607 -5.23761 TIMING: 80800 CPU: 251.855, 0.00313921/step Wall: 251.855, 0.0031392/step, 4.28955 hours remaining, 225.984375 MB of memory in use. ENERGY: 80800 3963.8211 20567.0001 14581.0781 253.7771 -202806.5715 2830.1248 0.0000 0.0000 51776.3585 -108834.4119 297.5594 -160610.7704 -108461.8451 298.8049 -163.7739 -136.2418 765658.7573 2.1445 2.2370 PRESSURE: 81000 300.604 122.539 245.194 122.54 118.718 -155.725 245.194 -155.724 147.309 GPRESSURE: 81000 359.115 64.7218 151.679 134.663 145.693 -135.692 307.729 -168.731 156.936 PRESSAVG: 81000 8.79879 -38.1007 17.1933 -38.1007 -25.9518 24.5746 17.1933 24.5745 -3.0967 GPRESSAVG: 81000 7.6798 -38.6243 16.3986 -40.1374 -25.0417 23.9986 19.3681 24.1299 -3.20522 TIMING: 81000 CPU: 252.479, 0.00312045/step Wall: 252.479, 0.00312045/step, 4.26374 hours remaining, 226.187500 MB of memory in use. ENERGY: 81000 4059.8327 20651.5175 14590.2881 251.1185 -203035.6634 3007.9785 0.0000 0.0000 51836.7218 -108638.2062 297.9064 -160474.9281 -108283.0268 299.3054 188.8770 220.5813 765317.5218 -6.7499 -6.8557 PRESSURE: 81200 220.16 -451.519 42.5433 -451.519 61.1291 -44.0881 42.5427 -44.0882 -103.908 GPRESSURE: 81200 252.275 -509.754 3.17956 -489.332 72.8243 -73.5723 32.5456 2.62142 -69.4805 PRESSAVG: 81200 1.47177 -43.1642 -3.67037 -43.1641 -1.52768 19.3707 -3.67044 19.3707 -15.7358 GPRESSAVG: 81200 0.967158 -42.5611 -2.6053 -41.3633 -1.01731 20.92 -5.86468 21.8229 -15.9276 TIMING: 81200 CPU: 253.103, 0.00311936/step Wall: 253.103, 0.00311936/step, 4.26208 hours remaining, 226.187500 MB of memory in use. ENERGY: 81200 3996.1449 20659.0904 14604.3166 242.7691 -202988.0398 2926.1848 0.0000 0.0000 51904.3346 -108655.1994 298.2949 -160559.5339 -108297.1428 299.6005 59.1270 85.2064 766091.1118 -5.2639 -5.3259 PRESSURE: 81400 184.404 -321.848 173.447 -321.849 97.5824 100.885 173.447 100.885 243.268 GPRESSURE: 81400 189.144 -357.866 115.457 -252.227 162.976 66.3067 157.354 -48.4536 249.249 PRESSAVG: 81400 26.9252 -56.6791 33.4494 -56.679 9.68615 27.1107 33.4494 27.1107 -12.6836 GPRESSAVG: 81400 28.6491 -57.6507 32.3988 -56.4649 8.74431 24.7218 35.8208 25.8336 -13.4253 TIMING: 81400 CPU: 253.725, 0.00310849/step Wall: 253.725, 0.00310849/step, 4.24706 hours remaining, 226.187500 MB of memory in use. ENERGY: 81400 4039.4605 20531.5004 14580.4210 238.1614 -203246.8622 2872.8057 0.0000 0.0000 52251.3571 -108733.1562 300.2893 -160984.5133 -108361.0516 298.9219 175.0849 200.4561 763500.6650 7.9759 7.9894 PRESSURE: 81600 54.9915 16.6349 10.9687 16.6354 -21.9548 80.0242 10.9688 80.0242 186.235 GPRESSURE: 81600 17.3955 105.467 -159.132 -130.849 51.9293 106.639 33.9571 91.8406 223.732 PRESSAVG: 81600 -22.4124 -34.6788 16.7608 -34.6789 14.2343 -73.2567 16.7608 -73.2567 13.3356 GPRESSAVG: 81600 -21.7733 -32.6607 17.0107 -35.1903 13.1191 -71.9303 15.8498 -73.1317 13.0397 TIMING: 81600 CPU: 254.349, 0.00312236/step Wall: 254.349, 0.00312236/step, 4.26584 hours remaining, 226.187500 MB of memory in use. ENERGY: 81600 3978.3752 20683.8470 14540.4703 252.1028 -203264.9645 2905.6470 0.0000 0.0000 52437.6759 -108466.8462 301.3600 -160904.5222 -108105.7776 299.5568 73.0907 97.6854 763243.9394 1.7192 1.4618 PRESSURE: 81800 15.2639 30.2901 -52.3044 30.2903 -250.62 -360.256 -52.3041 -360.256 -101.76 GPRESSURE: 81800 13.5689 -22.2464 -48.0319 80.5222 -209.535 -388.723 57.0381 -349.563 -73.7199 PRESSAVG: 81800 45.7713 1.67077 -44.6764 1.67077 0.789147 12.2131 -44.6764 12.2131 3.19957 GPRESSAVG: 81800 43.4064 0.542839 -44.3129 2.64995 0.898684 12.1804 -44.096 11.2359 4.48057 TIMING: 81800 CPU: 254.971, 0.00310803/step Wall: 254.971, 0.00310803/step, 4.24609 hours remaining, 226.187500 MB of memory in use. ENERGY: 81800 3974.3781 20688.1751 14624.7078 248.7213 -203042.6046 2966.2612 0.0000 0.0000 52185.3674 -108354.9937 299.9100 -160540.3610 -107981.6152 300.2420 -112.3721 -89.8954 766014.7369 16.5867 16.2619 PRESSURE: 82000 182.342 -123.836 52.515 -123.836 -73.3833 -105.204 52.5144 -105.204 -52.6598 GPRESSURE: 82000 180.011 -180.782 82.2607 -144.19 7.12447 -44.1959 -10.2901 -71.617 -49.8225 PRESSAVG: 82000 -21.244 6.52524 56.4187 6.52515 39.3658 -12.521 56.4187 -12.521 19.7394 GPRESSAVG: 82000 -20.2364 6.11663 56.5251 6.03313 39.7585 -13.6016 54.1853 -10.0187 18.4304 TIMING: 82000 CPU: 255.592, 0.00310727/step Wall: 255.592, 0.00310727/step, 4.24488 hours remaining, 226.187500 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: 82000 3996.6877 20618.2101 14555.9388 245.0701 -202903.8449 2859.4029 0.0000 0.0000 52153.0999 -108475.4355 299.7246 -160628.5354 -108116.2658 299.8873 18.7664 45.7710 765737.3158 12.6204 12.6508 PRESSURE: 82200 -110.289 -32.1588 -39.9844 -32.1587 44.3461 10.4552 -39.9843 10.4549 -255.484 GPRESSURE: 82200 -88.9811 -87.8356 -116.72 -81.3531 -13.5721 15.847 -16.4372 -52.0995 -144.808 PRESSAVG: 82200 32.0395 -44.8453 -0.604798 -44.8453 -14.5088 -30.5396 -0.604774 -30.5396 -10.3204 GPRESSAVG: 82200 31.2614 -44.8906 -1.4223 -43.9537 -14.1741 -31.8361 -0.846663 -31.0902 -9.75552 TIMING: 82200 CPU: 256.217, 0.0031218/step Wall: 256.217, 0.0031218/step, 4.26455 hours remaining, 226.187500 MB of memory in use. ENERGY: 82200 4022.8540 20467.0827 14636.8802 234.3992 -202839.3159 2799.3788 0.0000 0.0000 52062.2329 -108616.4881 299.2024 -160678.7210 -108251.7787 299.5334 -107.1422 -82.4538 766031.0033 2.4034 2.4439 PRESSURE: 82400 -61.1215 -256.315 -39.6476 -256.315 183.182 20.721 -39.647 20.7201 -180.542 GPRESSURE: 82400 51.6848 -289.87 -181.684 -337.271 81.1632 28.5643 -29.2276 21.3453 -141.678 PRESSAVG: 82400 -16.4817 -25.7921 -24.2291 -25.7922 9.59105 -33.7537 -24.2292 -33.7538 14.8361 GPRESSAVG: 82400 -15.3745 -23.7537 -24.7904 -27.7175 7.79323 -33.6437 -22.9635 -33.2797 15.6323 TIMING: 82400 CPU: 256.839, 0.00311093/step Wall: 256.839, 0.00311093/step, 4.24954 hours remaining, 226.187500 MB of memory in use. ENERGY: 82400 4051.5256 20594.6715 14618.9896 242.1561 -202964.9847 2941.8247 0.0000 0.0000 52109.3128 -108406.5045 299.4729 -160515.8173 -108044.7968 299.8355 -19.4938 -2.9433 765994.7319 2.6485 2.6837 PRESSURE: 82600 69.5007 54.7497 -151.132 54.7503 210.618 -91.2237 -151.132 -91.2224 36.5949 GPRESSURE: 82600 31.7082 83.6183 -241.493 152.466 295.085 -92.7449 -157.897 -206.529 78.9609 PRESSAVG: 82600 -11.6512 0.0102555 40.7032 0.0102232 12.772 -26.6723 40.7032 -26.6722 25.2097 GPRESSAVG: 82600 -11.9809 -1.28032 40.5897 0.491203 13.5381 -25.9267 40.2688 -25.8141 24.884 TIMING: 82600 CPU: 257.462, 0.00311377/step Wall: 257.462, 0.00311377/step, 4.25323 hours remaining, 226.187500 MB of memory in use. ENERGY: 82600 4005.5437 20605.8972 14606.3434 249.8600 -203071.9933 2965.5744 0.0000 0.0000 52368.1223 -108270.6523 300.9603 -160638.7746 -107901.2377 300.0818 105.5711 135.2514 764283.3130 8.7768 8.8137 PRESSURE: 82800 -252.616 -242.159 -123.549 -242.158 -297.445 268.619 -123.549 268.621 -355.531 GPRESSURE: 82800 -196.294 -223.576 -80.7242 -154.241 -230.839 200.85 -34.671 349.606 -375.284 PRESSAVG: 82800 9.62355 -43.4049 -47.7763 -43.4049 2.99148 -8.23349 -47.7763 -8.23351 11.1875 GPRESSAVG: 82800 10.2956 -42.734 -47.7324 -43.5945 2.57027 -7.14245 -48.1633 -9.40013 10.9636 TIMING: 82800 CPU: 258.087, 0.00312695/step Wall: 258.087, 0.00312695/step, 4.27106 hours remaining, 226.187500 MB of memory in use. ENERGY: 82800 3969.1873 20565.0830 14594.5708 254.1474 -202787.6619 2797.0113 0.0000 0.0000 52298.2962 -108309.3658 300.5590 -160607.6620 -107943.2413 300.1580 -301.8638 -267.4721 766065.8936 7.9342 7.9431 PRESSURE: 83000 -314.317 -34.2102 168.906 -34.2106 173.704 29.9831 168.906 29.9822 479.915 GPRESSURE: 83000 -120.755 -159.905 111.732 -26.8316 221.505 66.6152 100.012 45.1588 332.538 PRESSAVG: 83000 -22.5983 -82.8057 -46.1177 -82.8056 -24.6569 11.0093 -46.1177 11.0092 -16.2563 GPRESSAVG: 83000 -21.9693 -84.6485 -45.8657 -81.4765 -23.8623 9.68584 -46.2574 9.99017 -17.4935 TIMING: 83000 CPU: 258.713, 0.00313207/step Wall: 258.713, 0.00313207/step, 4.27789 hours remaining, 226.187500 MB of memory in use. ENERGY: 83000 4003.7786 20621.9682 14558.7444 246.3155 -202990.8843 3038.9188 0.0000 0.0000 52139.5777 -108381.5811 299.6469 -160521.1588 -108022.4811 299.8753 113.1006 144.4293 765235.1573 -21.1705 -21.1084 PRESSURE: 83200 38.5152 -124.979 -244.547 -124.978 -42.6523 -38.3193 -244.547 -38.3193 226.295 GPRESSURE: 83200 117.38 -249.814 -332.832 -79.0061 -30.4247 -60.396 -226.259 71.8584 218.444 PRESSAVG: 83200 -42.9385 -106.434 2.09533 -106.434 17.0536 24.9044 2.09532 24.9044 8.12708 GPRESSAVG: 83200 -43.6389 -104.06 1.53903 -108.792 16.7465 23.8418 2.47181 28.0699 9.46547 TIMING: 83200 CPU: 259.34, 0.00313229/step Wall: 259.34, 0.00313229/step, 4.27801 hours remaining, 226.187500 MB of memory in use. ENERGY: 83200 4007.3519 20457.1867 14563.2977 239.3559 -203055.7695 2947.1529 0.0000 0.0000 52590.4867 -108250.9376 302.2382 -160841.4243 -107878.7460 300.3223 74.0527 101.7998 763658.8651 -5.9193 -5.8090 PRESSURE: 83400 -59.9941 212.352 -47.5724 212.352 66.3667 -14.2255 -47.5726 -14.225 -26.5573 GPRESSURE: 83400 -62.784 162.563 -68.8079 238.12 83.7018 11.9527 -115.262 -68.8105 39.104 PRESSAVG: 83400 -9.34268 -95.1024 -43.3233 -95.1024 -6.56593 -0.621617 -43.3233 -0.621584 2.52897 GPRESSAVG: 83400 -11.2101 -96.3887 -41.6169 -93.5427 -5.00016 -0.592554 -44.1024 0.182723 3.02726 TIMING: 83400 CPU: 259.965, 0.00312536/step Wall: 259.965, 0.00312536/step, 4.26838 hours remaining, 226.187500 MB of memory in use. ENERGY: 83400 4032.7920 20620.2966 14597.0426 249.7475 -202861.1806 2897.2611 0.0000 0.0000 52150.8190 -108313.2217 299.7115 -160464.0407 -107948.1018 300.3776 -6.7283 20.0073 765805.7435 -4.4599 -4.3943 PRESSURE: 83600 -192.788 -279.172 -174.14 -279.171 -397.24 -29.4468 -174.141 -29.4484 -84.8756 GPRESSURE: 83600 -252.185 -257.996 -130.863 -238.368 -311.814 -96.7571 -160.397 105.173 -31.839 PRESSAVG: 83600 46.5268 -40.5763 -5.79984 -40.5763 -42.2618 -19.6162 -5.79992 -19.6162 6.27635 GPRESSAVG: 83600 48.8403 -42.5986 -4.86255 -37.943 -43.4517 -19.0194 -5.07766 -24.1214 5.80626 TIMING: 83600 CPU: 260.59, 0.00312723/step Wall: 260.59, 0.00312723/step, 4.27075 hours remaining, 226.187500 MB of memory in use. ENERGY: 83600 4020.1085 20646.2301 14513.9836 252.9441 -202743.8604 2637.1325 0.0000 0.0000 52110.2433 -108563.2182 299.4783 -160673.4615 -108210.0767 299.8514 -224.9679 -198.6128 766086.5524 3.5138 3.7316 PRESSURE: 83800 -58.5187 -114.945 -107.872 -114.946 -265.61 -331.745 -107.873 -331.745 179.81 GPRESSURE: 83800 63.1293 -47.23 -112.572 -150.594 -243.915 -241.38 -34.7015 -380.345 112.239 PRESSAVG: 83800 3.94254 -54.49 -11.5244 -54.49 -30.6126 -69.491 -11.5244 -69.491 11.0123 GPRESSAVG: 83800 5.06802 -53.1047 -12.4998 -56.7394 -31.4911 -70.6065 -14.0687 -66.8852 11.0392 TIMING: 83800 CPU: 261.217, 0.00313373/step Wall: 261.217, 0.00313373/step, 4.27945 hours remaining, 226.187500 MB of memory in use. ENERGY: 83800 3996.3978 20508.1881 14585.2797 250.5939 -202925.8873 2847.5962 0.0000 0.0000 52055.3947 -108682.4369 299.1631 -160737.8316 -108305.0106 299.5589 -48.1061 -22.8488 766412.5275 -5.2193 -5.1280 PRESSURE: 84000 -119.272 -212.727 -172.96 -212.728 55.5127 -76.7973 -172.961 -76.7968 -166.749 GPRESSURE: 84000 -107.536 -57.5848 -134.322 -127.64 23.014 -63.0717 -62.3709 -82.6028 -74.9158 PRESSAVG: 84000 44.0056 -18.0647 -10.5058 -18.0648 -42.7039 -68.5161 -10.5059 -68.516 -8.68524 GPRESSAVG: 84000 43.2285 -17.12 -10.7461 -17.6725 -42.1311 -67.5528 -8.20998 -69.9497 -8.65673 TIMING: 84000 CPU: 261.84, 0.00311199/step Wall: 261.84, 0.00311199/step, 4.2496 hours remaining, 226.187500 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: 84000 3987.4164 20392.7838 14527.6216 263.5701 -203044.3839 2909.3184 0.0000 0.0000 52047.1120 -108916.5616 299.1155 -160963.6736 -108547.5531 299.1896 -76.8360 -53.1460 766901.8374 -2.4612 -2.5198 PRESSURE: 84200 -82.7518 -100.693 197.055 -100.692 117.91 71.6644 197.054 71.6641 355.221 GPRESSURE: 84200 -62.8371 -96.3645 103.962 -75.5277 129.981 13.0145 37.3777 144.589 395.974 PRESSAVG: 84200 111.188 -22.3235 -10.7921 -22.3234 -32.5804 -32.8199 -10.7921 -32.8198 -6.73805 GPRESSAVG: 84200 110.705 -24.2887 -10.3047 -22.5142 -32.1938 -32.7931 -10.7969 -32.7546 -6.042 TIMING: 84200 CPU: 262.465, 0.00312473/step Wall: 262.465, 0.00312473/step, 4.26682 hours remaining, 226.187500 MB of memory in use. ENERGY: 84200 3944.5138 20406.7162 14562.0291 264.6600 -203261.6425 3078.9150 0.0000 0.0000 52142.7483 -108862.0602 299.6651 -161004.8084 -108492.3216 298.8442 130.1265 154.3724 764601.0585 23.9565 24.1564 LDB: ============= START OF LOAD BALANCING ============== 274.943 LDB: ============== END OF LOAD BALANCING =============== 274.943 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 274.944 LDB: ============= START OF LOAD BALANCING ============== 275.257 LDB: Largest compute 6990 load 0.029256 is 15.0% of average load 0.194447 LDB: Average compute 0.004379 is 2.3% of average load 0.194447 LDB: TIME 275.26 LOAD: AVG 0.194447 MAX 0.215891 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 225.477 MB LDB: TIME 275.26 LOAD: AVG 0.194447 MAX 0.215891 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 225.477 MB LDB: TIME 275.26 LOAD: AVG 0.194447 MAX 0.215891 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 225.477 MB LDB: ============== END OF LOAD BALANCING =============== 275.263 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 275.267 PRESSURE: 84400 -29.8655 -285.765 13.061 -285.766 -297.65 173.456 13.0609 173.455 -349.072 GPRESSURE: 84400 -0.851526 -249.096 67.971 -206.983 -249.398 229.52 -53.4312 207.532 -336.268 PRESSAVG: 84400 32.1623 -73.9853 22.7023 -73.9853 -54.6465 -2.68029 22.7023 -2.6804 13.6459 GPRESSAVG: 84400 32.8664 -70.862 22.3008 -75.1989 -55.0704 -2.20626 20.8482 -1.82574 13.2797 TIMING: 84400 CPU: 263.102, 0.00318487/step Wall: 263.102, 0.00318487/step, 4.34877 hours remaining, 225.476562 MB of memory in use. ENERGY: 84400 4009.8438 20454.9866 14520.8891 244.3820 -202644.8752 2685.2703 0.0000 0.0000 51859.5024 -108870.0009 298.0373 -160729.5033 -108513.7628 298.9252 -225.5294 -195.5058 765796.2298 -2.9461 -2.9748 PRESSURE: 84600 177.396 -59.669 -37.7361 -59.6692 75.5785 -98.8942 -37.7355 -98.8949 -187.954 GPRESSURE: 84600 176.61 -49.6758 35.4796 -159.317 129.249 -111.843 8.43181 -70.9025 -183.106 PRESSAVG: 84600 50.2501 -61.0103 7.39868 -61.0103 -44.3203 -15.9322 7.39867 -15.9321 -28.508 GPRESSAVG: 84600 49.4409 -62.8533 7.5556 -59.1864 -42.8848 -15.7607 8.06658 -17.5307 -28.6126 TIMING: 84600 CPU: 263.723, 0.0031084/step Wall: 263.723, 0.0031084/step, 4.24417 hours remaining, 225.476562 MB of memory in use. ENERGY: 84600 3941.7011 20649.8222 14565.6033 272.1594 -202891.1993 2687.1174 0.0000 0.0000 51930.3159 -108844.4800 298.4442 -160774.7959 -108482.5895 298.5246 21.6734 40.9176 765854.5527 -7.5261 -7.3522 PRESSURE: 84800 -100.728 -174.995 228.114 -174.995 -8.23464 119.651 228.114 119.651 -102.239 GPRESSURE: 84800 -64.4676 -54.1908 271.893 -100.164 43.3782 85.0539 306.037 146.984 -90.2484 PRESSAVG: 84800 58.2439 -45.0997 0.406919 -45.0997 -19.2274 -69.6385 0.406927 -69.6384 -14.5125 GPRESSAVG: 84800 58.0107 -45.0768 1.44202 -43.6291 -20.275 -70.7259 1.2543 -67.2604 -14.0075 TIMING: 84800 CPU: 264.347, 0.00311804/step Wall: 264.347, 0.00311804/step, 4.25717 hours remaining, 225.562500 MB of memory in use. ENERGY: 84800 4029.7470 20441.6847 14589.7677 253.4573 -203161.9997 2858.7898 0.0000 0.0000 52282.9962 -108705.5571 300.4711 -160988.5533 -108333.9720 298.7658 -70.4005 -37.1126 763815.5320 8.1680 7.9094 PRESSURE: 85000 -145.884 -100.027 223.995 -100.027 41.1138 228.894 223.996 228.893 -60.7135 GPRESSURE: 85000 -127.346 -88.2805 110.061 -63.885 79.9329 275.544 214.262 243.417 -41.3666 PRESSAVG: 85000 35.2279 -73.2181 -35.6699 -73.2182 6.79677 6.70931 -35.6698 6.70931 -23.6602 GPRESSAVG: 85000 36.4838 -73.9585 -38.5474 -73.8099 5.81409 7.58347 -33.3467 3.57758 -24.1896 TIMING: 85000 CPU: 264.968, 0.00310671/step Wall: 264.968, 0.00310671/step, 4.24152 hours remaining, 225.562500 MB of memory in use. ENERGY: 85000 4036.7601 20655.8037 14515.4609 232.3031 -203319.2908 2901.2970 0.0000 0.0000 52367.7431 -108609.9230 300.9581 -160977.6660 -108253.0859 299.8121 -55.1614 -29.5931 765042.6370 6.1215 6.0361 PRESSURE: 85200 515.957 38.75 -93.7791 38.7494 94.5958 -58.0965 -93.779 -58.0969 203.672 GPRESSURE: 85200 473.09 -7.6036 -95.2528 -100.83 178.106 -1.49591 -77.5537 -25.1424 238.416 PRESSAVG: 85200 37.2249 -22.4589 -15.4833 -22.4588 -19.7541 -28.0628 -15.4833 -28.0628 12.3007 GPRESSAVG: 85200 36.1219 -22.4658 -14.8744 -24.1903 -18.3552 -29.6917 -15.535 -23.632 11.8641 TIMING: 85200 CPU: 265.591, 0.00311356/step Wall: 265.591, 0.00311356/step, 4.25071 hours remaining, 225.562500 MB of memory in use. ENERGY: 85200 4060.0383 20502.2689 14510.0375 242.9962 -203204.3904 3128.7957 0.0000 0.0000 52190.7244 -108569.5293 299.9408 -160760.2538 -108211.0861 299.5277 271.4083 296.5370 764103.1247 9.9238 9.8769 PRESSURE: 85400 176.76 131.336 109.091 131.335 81.867 -45.8101 109.09 -45.81 4.63533 GPRESSURE: 85400 202.264 74.418 96.6393 230.703 96.8029 -50.7154 176.701 -86.5971 29.4927 PRESSAVG: 85400 18.843 -21.963 -14.8444 -21.9631 14.5441 -52.8129 -14.8444 -52.8129 -30.9116 GPRESSAVG: 85400 18.7149 -22.0241 -13.5528 -21.6858 14.1399 -50.6674 -17.186 -55.454 -29.9121 TIMING: 85400 CPU: 266.214, 0.00311711/step Wall: 266.214, 0.00311711/step, 4.25538 hours remaining, 225.570312 MB of memory in use. ENERGY: 85400 4011.8505 20558.8897 14594.1630 245.2091 -202980.0721 3033.2466 0.0000 0.0000 51971.0882 -108565.6250 298.6786 -160536.7132 -108216.8134 299.7409 87.7542 109.5200 764333.3514 0.8252 0.9809 PRESSURE: 85600 120.609 150.019 -40.7796 150.019 49.1951 -139.898 -40.7799 -139.898 59.5691 GPRESSURE: 85600 129.498 184.049 -5.79186 21.4517 151.132 -184.688 -103.356 -154.47 27.2129 PRESSAVG: 85600 24.9099 -5.63618 -20.9723 -5.63623 -0.161107 -43.36 -20.9723 -43.36 29.46 GPRESSAVG: 85600 26.2797 -4.02376 -20.1672 -4.94038 -1.36183 -46.4759 -21.5773 -41.3436 29.3954 TIMING: 85600 CPU: 266.837, 0.00311525/step Wall: 266.837, 0.00311525/step, 4.25266 hours remaining, 225.574219 MB of memory in use. ENERGY: 85600 3912.1653 20581.4381 14580.0953 255.7293 -203183.3847 2945.8520 0.0000 0.0000 52394.2505 -108513.8542 301.1105 -160908.1047 -108150.3266 299.7926 76.4578 102.6142 763796.5321 18.0696 18.1044 PRESSURE: 85800 195.505 30.0144 -165.593 30.0139 205.865 -74.7415 -165.593 -74.741 352.962 GPRESSURE: 85800 252.456 57.6797 -166.243 24.8672 210.956 -27.67 -135.098 -68.3322 363.656 PRESSAVG: 85800 3.47121 -33.4037 -8.41005 -33.4036 49.4005 -34.2645 -8.41003 -34.2646 6.2916 GPRESSAVG: 85800 2.38769 -35.7598 -10.4028 -33.7071 50.3907 -30.7458 -7.74181 -36.5517 6.32252 TIMING: 85800 CPU: 267.461, 0.00312009/step Wall: 267.461, 0.00312009/step, 4.25909 hours remaining, 225.574219 MB of memory in use. ENERGY: 85800 3964.9139 20587.8385 14690.1729 230.1844 -203355.5402 3350.5863 0.0000 0.0000 51972.2821 -108559.5621 298.6854 -160531.8441 -108201.2355 299.7083 251.4441 275.6892 763659.0186 19.7211 19.7003 PRESSURE: 86000 67.4906 -27.4923 -109.016 -27.4921 -238.521 59.3564 -109.016 59.356 -110.747 GPRESSURE: 86000 96.956 -36.3309 -47.02 0.481372 -209.944 -38.6424 -88.3324 206.492 -88.6508 PRESSAVG: 86000 13.899 -59.1019 7.85563 -59.1018 8.19873 -17.4434 7.85566 -17.4435 4.98158 GPRESSAVG: 86000 14.2947 -58.4979 8.56898 -58.0541 7.51114 -20.0425 7.75458 -15.9158 5.17668 TIMING: 86000 CPU: 268.082, 0.00310339/step Wall: 268.082, 0.00310339/step, 4.23613 hours remaining, 225.574219 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: 86000 3993.3656 20493.9241 14622.8328 235.7905 -202713.5725 2670.4806 0.0000 0.0000 51991.1441 -108706.0350 298.7938 -160697.1790 -108346.7148 299.7647 -93.9255 -67.2127 764763.3665 9.0264 8.9942 PRESSURE: 86200 -295.182 -71.9449 175.876 -71.9441 -448.328 12.6384 175.876 12.6385 -666.051 GPRESSURE: 86200 -238.253 15.8988 101.14 46.1728 -375.389 33.5368 143.391 -121.899 -703.807 PRESSAVG: 86200 7.07049 -44.0862 31.577 -44.0861 17.7905 34.3201 31.577 34.3201 4.43587 GPRESSAVG: 86200 7.06795 -43.5652 31.7441 -43.4758 18.2467 34.9152 32.7735 32.7266 4.51805 TIMING: 86200 CPU: 268.702, 0.00310127/step Wall: 268.702, 0.00310127/step, 4.23306 hours remaining, 225.574219 MB of memory in use. ENERGY: 86200 4066.6658 20544.0964 14674.7692 239.8223 -202646.7517 2603.1339 0.0000 0.0000 51884.8580 -108633.4061 298.1830 -160518.2641 -108279.1013 299.4016 -469.8533 -439.1495 765800.5346 9.7656 9.9442 PRESSURE: 86400 95.9468 -138.459 -154.906 -138.458 246.774 -12.0011 -154.905 -11.9998 -19.9709 GPRESSURE: 86400 96.8579 -61.6041 -127.878 -122.409 292.793 75.6327 -218.077 54.7775 28.1271 PRESSAVG: 86400 11.311 -26.8112 16.0349 -26.8111 3.32167 -14.0148 16.0349 -14.0148 -18.7324 GPRESSAVG: 86400 11.6941 -28.6919 15.9107 -27.8831 2.75581 -14.0175 16.1554 -12.6225 -18.7385 TIMING: 86400 CPU: 269.324, 0.0031065/step Wall: 269.324, 0.0031065/step, 4.24003 hours remaining, 225.574219 MB of memory in use. ENERGY: 86400 3959.8319 20608.8092 14672.2871 237.8096 -202902.1577 2822.3024 0.0000 0.0000 51950.4700 -108650.6474 298.5601 -160601.1174 -108289.0597 298.9922 107.5834 139.2594 763639.9292 -1.3666 -1.4295 PRESSURE: 86600 -160.143 48.1842 -3.09983 48.1843 -93.3965 -32.809 -3.10011 -32.8096 -231.197 GPRESSURE: 86600 -178.943 61.9817 19.6064 122.301 22.6371 20.2938 59.7182 44.891 -244.695 PRESSAVG: 86600 -13.9452 18.5013 19.178 18.5013 -15.9243 -51.2849 19.178 -51.2849 -5.21518 GPRESSAVG: 86600 -15.406 19.6182 19.7274 18.1628 -15.3253 -51.4357 17.1359 -51.1045 -4.40844 TIMING: 86600 CPU: 269.948, 0.00312255/step Wall: 269.948, 0.00312255/step, 4.26176 hours remaining, 225.574219 MB of memory in use. ENERGY: 86600 4079.4747 20399.6290 14563.7868 240.1475 -202929.2254 2836.7916 0.0000 0.0000 52184.8468 -108624.5490 299.9070 -160809.3958 -108268.5016 299.7231 -161.5786 -133.6669 764975.0846 -11.6949 -11.7133 PRESSURE: 86800 -79.3081 57.3699 194.337 57.37 -225.386 -161.241 194.336 -161.241 -198.199 GPRESSURE: 86800 -102.729 98.0728 152.576 34.9122 -134.85 -115.253 131.504 -123.102 -178.17 PRESSAVG: 86800 53.3067 5.9483 -2.59808 5.94837 -10.7632 12.5029 -2.59806 12.5029 9.35006 GPRESSAVG: 86800 54.2094 4.60418 -3.78702 6.57643 -11.9546 11.8112 -1.69527 11.7137 9.81261 TIMING: 86800 CPU: 270.57, 0.00310811/step Wall: 270.57, 0.00310811/step, 4.24188 hours remaining, 225.574219 MB of memory in use. ENERGY: 86800 4073.6464 20568.6109 14539.1411 244.1031 -203109.3937 2974.7009 0.0000 0.0000 52156.5323 -108552.6590 299.7443 -160709.1913 -108182.6297 299.4339 -167.6310 -138.5830 765522.1566 17.2979 17.3558 PRESSURE: 87000 17.3422 -80.5051 36.9276 -80.5058 47.929 80.1774 36.9269 80.1757 210.303 GPRESSURE: 87000 -35.2815 -171.923 172.947 -96.7003 121.007 140.992 11.6653 -7.48079 251.834 PRESSAVG: 87000 35.7404 -33.4366 -23.0018 -33.4366 -29.333 -18.5075 -23.0018 -18.5075 -11.2397 GPRESSAVG: 87000 34.7911 -33.8316 -21.763 -34.0148 -27.8936 -15.8715 -22.2181 -20.0418 -11.534 TIMING: 87000 CPU: 271.197, 0.00313461/step Wall: 271.197, 0.00313461/step, 4.27787 hours remaining, 225.578125 MB of memory in use. ENERGY: 87000 3906.4429 20530.7940 14555.1024 236.1301 -203403.8980 2937.9893 0.0000 0.0000 52332.2702 -108905.1691 300.7543 -161237.4394 -108540.1716 299.2861 91.8581 112.5197 763492.9149 -1.6108 -1.5455 PRESSURE: 87200 80.3836 62.0498 -31.169 62.0499 -334.566 218.962 -31.1692 218.962 3.23469 GPRESSURE: 87200 83.0625 140.662 -2.15143 137.675 -209.976 110.295 -6.79059 270.697 -55.2408 PRESSAVG: 87200 64.1487 -43.7431 -9.94813 -43.7431 -63.9817 -18.3552 -9.94816 -18.3551 -6.62767 GPRESSAVG: 87200 65.4893 -42.2736 -10.5555 -44.0506 -65.1317 -19.6898 -9.40986 -16.0178 -7.25594 TIMING: 87200 CPU: 271.821, 0.0031195/step Wall: 271.821, 0.0031195/step, 4.25708 hours remaining, 225.578125 MB of memory in use. ENERGY: 87200 3927.6230 20509.5099 14525.9692 227.2202 -203158.1112 2900.4444 0.0000 0.0000 52367.9488 -108699.3958 300.9593 -161067.3445 -108339.5223 299.5273 -83.6492 -60.7182 764100.6259 -2.1535 -2.2994 PRESSURE: 87400 601.578 -41.2441 -173.028 -41.2442 92.9838 -196.548 -173.028 -196.548 -39.4528 GPRESSURE: 87400 559.718 91.1493 -22.8075 -81.3865 170.694 -72.2908 -239.858 -245.784 -8.56083 PRESSAVG: 87400 20.1284 -19.9375 -28.5433 -19.9375 -10.9801 25.1929 -28.5432 25.1928 -4.08021 GPRESSAVG: 87400 19.6862 -19.2951 -27.7164 -20.7688 -11.0449 25.187 -31.6893 22.5696 -3.64004 TIMING: 87400 CPU: 272.445, 0.00312453/step Wall: 272.445, 0.00312453/step, 4.26376 hours remaining, 225.574219 MB of memory in use. ENERGY: 87400 3959.4120 20504.5694 14584.3243 233.6391 -203021.5169 3017.6438 0.0000 0.0000 52227.2068 -108494.7214 300.1505 -160721.9282 -108130.9179 299.1231 218.3696 240.6169 763517.2349 1.6894 1.6671 PRESSURE: 87600 -170.95 113.219 -34.2636 113.217 -104.295 44.9127 -34.2634 44.9118 127.631 GPRESSURE: 87600 -144.083 79.6452 -44.3902 129.621 -90.6082 6.80109 -32.9098 144.044 166.596 PRESSAVG: 87600 56.0568 5.31592 -44.1023 5.31587 -45.4608 29.1015 -44.1023 29.1015 -4.07575 GPRESSAVG: 87600 56.6511 2.60931 -46.8387 7.54137 -45.4037 29.0046 -42.4398 29.9746 -4.81412 TIMING: 87600 CPU: 273.072, 0.00313327/step Wall: 273.072, 0.00313327/step, 4.27552 hours remaining, 225.574219 MB of memory in use. ENERGY: 87600 4072.1086 20464.9651 14593.6565 238.6600 -202767.1626 2642.0112 0.0000 0.0000 52287.7981 -108467.9630 300.4987 -160755.7611 -108108.6766 299.8618 -49.2047 -22.6985 762506.0484 2.1734 2.1444 PRESSURE: 87800 -6.6317 44.9235 26.0396 44.9238 101.644 221.111 26.0401 221.11 -320.502 GPRESSURE: 87800 -32.7807 33.4143 -10.4918 84.7162 178.443 213.077 -15.452 297.522 -291.479 PRESSAVG: 87800 40.6356 14.2588 -10.5073 14.2588 -21.3186 24.4576 -10.5073 24.4576 6.79087 GPRESSAVG: 87800 39.4884 16.6819 -8.31922 12.9017 -20.4374 23.3178 -9.33611 24.6155 6.90016 TIMING: 87800 CPU: 273.702, 0.00314784/step Wall: 273.702, 0.00314784/step, 4.29522 hours remaining, 225.574219 MB of memory in use. ENERGY: 87800 4027.4085 20602.0314 14541.3336 256.4587 -203474.5269 3169.0879 0.0000 0.0000 52364.6435 -108513.5632 300.9403 -160878.2067 -108146.1701 300.1306 -75.1633 -48.6055 764284.8025 8.7026 8.6504 PRESSURE: 88000 67.3829 242.648 42.7212 242.648 -302.579 -131.497 42.7201 -131.497 157.449 GPRESSURE: 88000 63.1764 190.409 103.148 206.35 -235.66 -150.487 40.8042 -97.3644 188.221 PRESSAVG: 88000 7.13698 19.1002 -29.7702 19.1001 -13.9279 19.3993 -29.7702 19.3993 -15.0995 GPRESSAVG: 88000 6.93511 18.9488 -30.0848 18.1032 -14.0155 19.2898 -28.5854 21.1021 -14.9761 TIMING: 88000 CPU: 274.327, 0.00312596/step Wall: 274.327, 0.00312596/step, 4.26521 hours remaining, 225.574219 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: 88000 4047.0623 20599.0228 14517.7825 247.2824 -202901.9107 2820.5341 0.0000 0.0000 52000.5709 -108669.6556 298.8480 -160670.2265 -108317.7552 299.8344 -25.9159 5.2457 765566.0758 -7.2968 -7.3522 PRESSURE: 88200 100.528 -68.615 54.5174 -68.6149 207.394 1.85381 54.5174 1.85419 77.2922 GPRESSURE: 88200 156.809 -133.449 -33.1163 -164.983 224.636 -2.06514 -1.21085 -20.6765 100.39 PRESSAVG: 88200 39.2421 -30.8811 24.3 -30.8811 -31.6515 4.84527 24.3001 4.84527 13.1753 GPRESSAVG: 88200 39.9297 -32.817 23.7017 -29.9925 -32.0847 7.17661 22.6561 3.87774 13.0613 TIMING: 88200 CPU: 274.953, 0.00313067/step Wall: 274.953, 0.00313067/step, 4.27145 hours remaining, 225.574219 MB of memory in use. ENERGY: 88200 4030.2380 20492.5131 14574.8647 260.2091 -202828.9076 2912.6394 0.0000 0.0000 52032.1021 -108526.3412 299.0292 -160558.4433 -108177.4181 299.8741 128.4048 160.6116 765121.6571 6.9220 6.9688 LDB: ============= START OF LOAD BALANCING ============== 287.433 LDB: ============== END OF LOAD BALANCING =============== 287.433 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 287.435 LDB: ============= START OF LOAD BALANCING ============== 287.747 LDB: Largest compute 7011 load 0.030233 is 15.6% of average load 0.194413 LDB: Average compute 0.004398 is 2.3% of average load 0.194413 LDB: TIME 287.751 LOAD: AVG 0.194413 MAX 0.215414 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 228.34 MB LDB: TIME 287.751 LOAD: AVG 0.194413 MAX 0.215414 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 228.441 MB LDB: TIME 287.751 LOAD: AVG 0.194413 MAX 0.215414 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 228.441 MB LDB: ============== END OF LOAD BALANCING =============== 287.753 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 287.758 PRESSURE: 88400 -266.987 -46.2241 -59.8842 -46.2247 77.0691 113.691 -59.8838 113.69 52.2255 GPRESSURE: 88400 -173.539 -7.47103 -4.03041 -12.9423 97.461 127.36 -138.312 -40.5587 17.4829 PRESSAVG: 88400 9.82266 -63.0178 -30.9242 -63.0178 -20.0126 26.5393 -30.9242 26.5393 17.7713 GPRESSAVG: 88400 9.4449 -61.871 -31.1606 -63.7351 -19.9955 24.4749 -31.3077 25.1755 17.7609 TIMING: 88400 CPU: 275.592, 0.00319499/step Wall: 275.592, 0.00319499/step, 4.35904 hours remaining, 226.601562 MB of memory in use. ENERGY: 88400 3971.5626 20385.1582 14552.6925 248.7532 -202855.6656 2781.7752 0.0000 0.0000 52164.5122 -108751.2118 299.7902 -160915.7240 -108381.4031 299.9099 -45.8974 -19.5318 763792.2287 2.5271 2.4034 PRESSURE: 88600 -204.475 -147.307 -168.375 -147.307 -130.486 -217.968 -168.375 -217.967 -187.481 GPRESSURE: 88600 -138.251 -109.034 -167.936 -224.118 -144.251 -181.622 -202.84 -160.722 -140.691 PRESSAVG: 88600 -49.851 -14.5426 -12.6836 -14.5426 35.4466 36.8566 -12.6835 36.8566 24.3468 GPRESSAVG: 88600 -48.8162 -16.3954 -12.5017 -11.0184 34.8952 37.556 -11.0607 39.4477 23.9296 TIMING: 88600 CPU: 276.216, 0.00312239/step Wall: 276.216, 0.00312239/step, 4.25981 hours remaining, 227.390625 MB of memory in use. ENERGY: 88600 3996.7146 20479.2188 14498.2712 261.5438 -202705.9899 2543.7237 0.0000 0.0000 52027.5121 -108899.0055 299.0028 -160926.5177 -108537.3954 298.9640 -174.1474 -141.0643 766178.9872 3.3141 3.3362 PRESSURE: 88800 35.3902 -59.5015 29.8777 -59.5016 -46.6636 65.4512 29.8773 65.4518 128.527 GPRESSURE: 88800 58.6212 -121.565 136.214 -83.4451 -78.7789 119.67 39.2041 241.198 216.942 PRESSAVG: 88800 66.041 -72.0421 -64.815 -72.0421 -40.0298 5.99773 -64.815 5.99774 -7.05863 GPRESSAVG: 88800 65.8474 -71.1185 -65.0631 -74.8095 -40.0794 5.82535 -66.4581 5.69024 -7.13981 TIMING: 88800 CPU: 276.837, 0.0031039/step Wall: 276.837, 0.0031039/step, 4.23441 hours remaining, 227.390625 MB of memory in use. ENERGY: 88800 4029.3640 20237.0873 14540.7592 261.9420 -202770.4876 2676.5497 0.0000 0.0000 52063.6350 -108961.1505 299.2104 -161024.7855 -108592.1261 298.9921 39.0846 65.5947 764632.2149 6.3175 6.2094 PRESSURE: 89000 150.057 -87.7841 -55.7313 -87.7846 -63.4806 -85.8147 -55.7309 -85.8147 368.765 GPRESSURE: 89000 251.668 -115.948 -137.758 -120.89 -90.183 -66.1876 43.6003 -114.22 379.551 PRESSAVG: 89000 32.4527 -61.8455 -30.5162 -61.8455 2.61694 -41.4263 -30.5162 -41.4264 -6.82993 GPRESSAVG: 89000 31.6698 -61.2553 -30.6238 -62.4725 3.30261 -41.4888 -29.116 -40.6789 -6.79135 TIMING: 89000 CPU: 277.459, 0.00310691/step Wall: 277.459, 0.00310691/step, 4.23835 hours remaining, 227.390625 MB of memory in use. ENERGY: 89000 4018.6432 20622.8100 14503.6074 273.0595 -203210.9716 3056.6091 0.0000 0.0000 52043.1114 -108693.1309 299.0925 -160736.2423 -108343.1952 298.9240 151.7806 180.3455 764277.5889 9.4132 9.3937 PRESSURE: 89200 356.943 -102.674 185.254 -102.674 515.926 -134.409 185.255 -134.408 242.383 GPRESSURE: 89200 365.717 -110.981 138.277 -205.457 490.993 -257.81 160.763 -165.793 334.163 PRESSAVG: 89200 13.911 -12.4639 1.32338 -12.4639 -36.968 14.8026 1.32338 14.8026 -8.22238 GPRESSAVG: 89200 14.1878 -10.9516 1.93411 -12.3006 -38.1114 14.166 0.405778 12.2726 -7.40392 TIMING: 89200 CPU: 278.081, 0.00311125/step Wall: 278.081, 0.00311125/step, 4.24409 hours remaining, 227.390625 MB of memory in use. ENERGY: 89200 3922.8139 20548.6698 14592.1807 273.7239 -203029.8569 2789.7252 0.0000 0.0000 52099.5210 -108803.2225 299.4167 -160902.7435 -108442.1314 299.1918 371.7509 396.9578 764226.8315 -10.4265 -10.4425 PRESSURE: 89400 95.8787 -92.8404 -8.08733 -92.841 172.61 63.4965 -8.0873 63.4966 -61.3838 GPRESSURE: 89400 145.29 -98.2916 14.7831 -159.655 144.669 55.1229 13.4398 112.577 -5.80086 PRESSAVG: 89400 27.155 -60.4306 57.3289 -60.4306 -17.1166 -35.4324 57.3289 -35.4324 -9.37807 GPRESSAVG: 89400 27.1084 -62.172 56.8428 -60.3716 -17.6805 -35.6695 56.6312 -36.096 -8.95475 TIMING: 89400 CPU: 278.701, 0.00310171/step Wall: 278.701, 0.00310171/step, 4.2309 hours remaining, 227.390625 MB of memory in use. ENERGY: 89400 3909.5934 20578.5038 14595.2864 243.3113 -202739.1826 2606.0529 0.0000 0.0000 51795.5421 -109010.8927 297.6697 -160806.4348 -108652.8105 298.1869 69.0349 94.7193 764280.1161 0.2201 0.1577 PRESSURE: 89600 -1.44121 -159.514 -187.508 -159.515 62.0532 5.81382 -187.508 5.81444 -130.005 GPRESSURE: 89600 44.5742 -193.624 -192.347 -222.859 111.184 -41.4408 -78.5108 28.4335 -120.896 PRESSAVG: 89600 4.70299 -10.6185 45.4458 -10.6184 -2.6576 3.17828 45.4459 3.17838 -10.5553 GPRESSAVG: 89600 5.29368 -9.96537 47.2842 -11.6075 -2.88076 3.5674 47.5627 5.74019 -10.7391 TIMING: 89600 CPU: 279.322, 0.00310536/step Wall: 279.322, 0.00310536/step, 4.23571 hours remaining, 227.402344 MB of memory in use. ENERGY: 89600 3889.0571 20438.5331 14593.1649 238.0797 -203134.7136 2745.5898 0.0000 0.0000 52273.9313 -108956.3577 300.4190 -161230.2890 -108585.0401 298.3592 -23.1309 11.6207 764665.0444 -2.8367 -2.7754 PRESSURE: 89800 217.182 -235.698 189.561 -235.698 -270.86 139.694 189.56 139.693 -39.2063 GPRESSURE: 89800 118.675 -350.28 211.314 -272.226 -40.0552 152.417 55.7717 -31.3496 -71.0453 PRESSAVG: 89800 12.289 -19.3655 -15.6015 -19.3655 -34.0548 -31.0598 -15.6015 -31.0598 -8.56625 GPRESSAVG: 89800 11.5515 -18.8512 -15.8083 -19.371 -33.4445 -31.3943 -18.5581 -34.0127 -8.57392 TIMING: 89800 CPU: 279.945, 0.00311253/step Wall: 279.945, 0.00311253/step, 4.24532 hours remaining, 227.390625 MB of memory in use. ENERGY: 89800 4017.0326 20584.5758 14550.2100 248.7568 -203317.4649 3119.4746 0.0000 0.0000 51996.2870 -108801.1281 298.8234 -160797.4151 -108447.4989 298.9668 -30.9616 2.5248 765340.3921 -10.1107 -10.1556 PRESSURE: 90000 25.1762 59.5071 -212.536 59.507 98.2399 -93.1538 -212.536 -93.1531 143.333 GPRESSURE: 90000 115.454 -55.5337 -186.254 44.3224 122.593 -114.323 -268.461 30.8093 94.5649 PRESSAVG: 90000 8.8958 32.2655 22.0867 32.2655 -19.2209 29.46 22.0867 29.46 -14.686 GPRESSAVG: 90000 8.79481 30.1145 19.8214 32.9307 -19.1438 30.5963 22.1383 31.6921 -14.9504 TIMING: 90000 CPU: 280.567, 0.00311347/step Wall: 280.567, 0.00311347/step, 4.24643 hours remaining, 227.390625 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: 90000 3999.6655 20391.1507 14554.7309 260.9497 -202974.3939 3112.7320 0.0000 0.0000 51860.5134 -108794.6517 298.0431 -160655.1650 -108424.6910 298.9776 88.9164 110.8706 764355.0698 -8.3370 -8.4332 PRESSURE: 90200 155.448 -51.3594 -247.67 -51.3599 -282.533 -15.1171 -247.67 -15.1179 -271.627 GPRESSURE: 90200 222.592 -52.045 -268.11 -4.92114 -314.646 -27.3901 -186.108 77.0596 -246.922 PRESSAVG: 90200 62.8515 18.5858 -34.7694 18.5858 -49.1361 -13.083 -34.7694 -13.083 -6.49583 GPRESSAVG: 90200 62.6919 21.6904 -34.3049 18.0257 -49.4407 -11.3576 -34.7848 -14.2776 -6.3147 TIMING: 90200 CPU: 281.192, 0.00312359/step Wall: 281.192, 0.00312359/step, 4.26005 hours remaining, 227.394531 MB of memory in use. ENERGY: 90200 4058.3052 20418.0242 14519.4359 244.0272 -203192.6757 2783.6205 0.0000 0.0000 52240.8749 -108928.3877 300.2290 -161169.2626 -108564.6715 299.0331 -132.9041 -112.9922 763311.0728 2.4065 2.3122 PRESSURE: 90400 297.423 160.094 53.8637 160.094 174.886 39.0668 53.8641 39.0681 308.342 GPRESSURE: 90400 351.354 77.4765 -41.2861 114.89 253.387 104.509 206.003 117.478 264.523 PRESSAVG: 90400 -3.73793 42.3295 60.5234 42.3295 -24.9147 39.1073 60.5234 39.1074 10.6153 GPRESSAVG: 90400 -3.32474 40.9502 61.1856 44.6829 -24.3306 35.6545 60.2373 39.6605 9.71933 TIMING: 90400 CPU: 281.812, 0.00309902/step Wall: 281.812, 0.00309902/step, 4.22637 hours remaining, 227.390625 MB of memory in use. ENERGY: 90400 3858.1506 20584.6910 14527.2365 253.4180 -203001.2365 2842.3263 0.0000 0.0000 51928.3364 -109007.0778 298.4329 -160935.4142 -108644.8611 298.2329 260.2171 289.7544 763889.1129 -6.0124 -5.9787 PRESSURE: 90600 67.5998 296.724 -173.58 296.723 230.818 223.812 -173.579 223.813 182.561 GPRESSURE: 90600 170.436 239.874 -272.605 329.417 180.939 310.559 -144.368 132.126 207.912 PRESSAVG: 90600 5.44997 11.7114 -17.4866 11.7115 11.0591 78.3611 -17.4866 78.3612 -12.9355 GPRESSAVG: 90600 5.51603 11.2952 -17.7868 11.0906 10.4645 80.0874 -16.0716 79.3101 -12.8369 TIMING: 90600 CPU: 282.436, 0.00312188/step Wall: 282.436, 0.00312188/step, 4.25738 hours remaining, 227.390625 MB of memory in use. ENERGY: 90600 3953.0618 20478.9177 14512.0443 249.9910 -202607.8151 2671.5209 0.0000 0.0000 51983.1780 -108759.1012 298.7480 -160742.2793 -108395.0523 299.1798 160.3264 186.4292 763987.4305 1.1912 1.0479 PRESSURE: 90800 104.291 53.6535 64.4762 53.6534 419.233 -195.769 64.4761 -195.77 -97.7614 GPRESSURE: 90800 161.948 187.423 0.930574 1.82705 436.155 -228.271 190.723 -256.235 -86.7225 PRESSAVG: 90800 -10.5985 -53.4816 -8.87137 -53.4816 35.023 33.8178 -8.87145 33.8178 -3.1244 GPRESSAVG: 90800 -10.2253 -52.8189 -8.13474 -53.9475 34.3027 32.7006 -7.16473 31.8406 -2.918 TIMING: 90800 CPU: 283.06, 0.00311876/step Wall: 283.06, 0.00311876/step, 4.25294 hours remaining, 227.390625 MB of memory in use. ENERGY: 90800 3977.5616 20571.2167 14619.4710 263.8731 -203175.9610 2775.8175 0.0000 0.0000 52152.2302 -108815.7909 299.7196 -160968.0211 -108444.6453 299.3066 141.9206 170.4601 764634.0737 7.1000 7.0531 PRESSURE: 91000 16.3615 -56.5792 -15.5918 -56.5803 75.2789 -207.698 -15.5923 -207.699 -463.47 GPRESSURE: 91000 69.4893 -68.4138 -44.4648 -59.3387 12.5273 -196.439 88.0391 -141.977 -367.083 PRESSAVG: 91000 29.6839 -14.746 -11.0256 -14.746 6.7981 39.2506 -11.0256 39.2506 10.2416 GPRESSAVG: 91000 28.9203 -13.9371 -12.8498 -16.3457 7.37949 38.2591 -12.236 41.545 10.5235 TIMING: 91000 CPU: 283.682, 0.00311177/step Wall: 283.682, 0.00311177/step, 4.24324 hours remaining, 227.390625 MB of memory in use. ENERGY: 91000 3987.0134 20586.1059 14585.1975 260.3422 -203096.7837 2771.6667 0.0000 0.0000 52170.5471 -108735.9109 299.8249 -160906.4580 -108392.5142 299.9598 -123.9433 -95.0222 763395.7068 15.5745 15.6078 PRESSURE: 91200 141.727 -125.573 156.075 -125.572 -76.6611 8.70216 156.076 8.70205 67.0506 GPRESSURE: 91200 141.693 -125.643 269.045 -130.287 -9.88197 -71.2563 32.1546 18.3025 83.6502 PRESSAVG: 91200 -57.2976 -39.1373 -13.0272 -39.1373 75.6466 24.5002 -13.0272 24.5002 -3.55419 GPRESSAVG: 91200 -57.3942 -40.5571 -11.1143 -36.3812 76.3545 24.9828 -13.1729 22.4696 -5.04525 TIMING: 91200 CPU: 284.308, 0.0031253/step Wall: 284.308, 0.0031253/step, 4.26152 hours remaining, 227.390625 MB of memory in use. ENERGY: 91200 4023.4850 20491.6370 14539.7236 232.1232 -202838.7834 2820.4924 0.0000 0.0000 52093.3316 -108637.9907 299.3811 -160731.3222 -108271.5714 299.4160 44.0390 71.8203 765305.7859 4.9316 4.6384 PRESSURE: 91400 82.6416 -41.1884 -186.889 -41.1884 194.23 38.3818 -186.889 38.3813 114.31 GPRESSURE: 91400 153.283 -53.6747 -258.83 -176.872 155.168 50.16 -95.4749 171.01 166.227 PRESSAVG: 91400 22.5691 -6.1606 -23.482 -6.16064 -28.0691 -44.4779 -23.482 -44.4779 18.3419 GPRESSAVG: 91400 23.0441 -4.06647 -26.6292 -9.22959 -28.7038 -44.5134 -21.167 -44.6675 18.8947 TIMING: 91400 CPU: 284.927, 0.00309975/step Wall: 284.927, 0.00309975/step, 4.22651 hours remaining, 227.390625 MB of memory in use. ENERGY: 91400 4001.7180 20666.9140 14583.0245 253.7635 -203159.2646 2782.3252 0.0000 0.0000 51977.9047 -108893.6148 298.7177 -160871.5194 -108525.8794 299.3658 130.3939 158.2263 765575.1010 4.2806 4.4117 PRESSURE: 91600 -167.752 -20.6555 -83.2763 -20.6546 85.0034 277.078 -83.2771 277.078 169.437 GPRESSURE: 91600 -169.326 -88.9954 -73.1112 -99.1471 120.171 219.243 -121 336.654 223.003 PRESSAVG: 91600 -68.2041 -2.94395 25.1462 -2.94395 18.8065 -1.3774 25.1462 -1.37735 11.0604 GPRESSAVG: 91600 -70.0213 -3.90356 29.5654 -1.99147 19.9807 -0.970884 21.2387 -0.94956 10.926 TIMING: 91600 CPU: 285.551, 0.00311685/step Wall: 285.551, 0.00311685/step, 4.24965 hours remaining, 227.390625 MB of memory in use. ENERGY: 91600 3913.4247 20379.9921 14504.1151 254.8939 -202797.4587 2775.1744 0.0000 0.0000 52092.8010 -108877.0575 299.3780 -160969.8585 -108503.1769 298.7586 28.8964 57.9493 767481.1274 -12.7790 -13.0382 PRESSURE: 91800 -177.161 135.182 14.8779 135.183 -97.4884 110.36 14.8777 110.36 271.291 GPRESSURE: 91800 -84.1715 122.825 13.3347 196.598 -0.250705 203.883 -53.454 -56.7248 177.906 PRESSAVG: 91800 -0.222844 -33.4539 41.2252 -33.4538 28.2799 34.7802 41.2253 34.7803 -20.0332 GPRESSAVG: 91800 2.38468 -34.0375 38.8523 -34.3663 26.4308 34.6748 44.1041 34.6678 -20.5882 TIMING: 91800 CPU: 286.175, 0.0031217/step Wall: 286.175, 0.0031217/step, 4.25609 hours remaining, 227.390625 MB of memory in use. ENERGY: 91800 3947.9951 20549.4956 14564.2492 237.4887 -203056.2277 2766.7906 0.0000 0.0000 51950.2583 -109039.9501 298.5588 -160990.2085 -108677.2144 298.3576 -1.1194 31.1614 766095.7401 2.6746 2.7424 PRESSURE: 92000 143.075 -27.5443 -333.067 -27.5442 135.503 152.001 -333.066 152.002 111.867 GPRESSURE: 92000 172.043 -158.602 -413.483 2.26199 137.238 107.889 -256.209 70.2995 144.987 PRESSAVG: 92000 -8.05256 -17.9408 -34.4515 -17.9408 9.74602 34.9892 -34.4514 34.9892 16.9248 GPRESSAVG: 92000 -7.91407 -18.1829 -36.0657 -16.8053 8.61776 35.6445 -33.7827 34.8778 17.8347 TIMING: 92000 CPU: 286.797, 0.00311147/step Wall: 286.797, 0.00311147/step, 4.24197 hours remaining, 227.390625 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: 92000 3967.8652 20582.5975 14518.7399 244.7788 -203035.3356 2839.1744 0.0000 0.0000 52165.7031 -108716.4767 299.7970 -160882.1798 -108359.2073 298.6017 130.1482 151.4227 764647.0949 6.2061 6.1795 PRESSURE: 92200 -256.868 -246.786 160.507 -246.786 -214.563 -28.6305 160.507 -28.6297 -399.171 GPRESSURE: 92200 -189.905 -200.371 174.966 -128.556 -192.623 85.1249 37.0773 -4.62314 -391.761 PRESSAVG: 92200 26.397 23.1189 -19.6815 23.1189 -34.704 81.3045 -19.6815 81.3044 -4.39404 GPRESSAVG: 92200 25.0083 22.4757 -17.5637 24.3724 -33.1048 81.4371 -22.4984 79.9004 -4.09246 TIMING: 92200 CPU: 287.421, 0.00311848/step Wall: 287.421, 0.00311848/step, 4.25135 hours remaining, 227.390625 MB of memory in use. ENERGY: 92200 4035.7449 20657.5989 14542.4796 228.6556 -202498.9903 2669.9249 0.0000 0.0000 51838.7711 -108525.8153 297.9181 -160364.5864 -108164.9933 299.2813 -290.2005 -258.0964 763587.5481 -4.2337 -4.0630 LDB: ============= START OF LOAD BALANCING ============== 299.9 LDB: ============== END OF LOAD BALANCING =============== 299.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 299.901 LDB: ============= START OF LOAD BALANCING ============== 300.214 LDB: Largest compute 7052 load 0.028722 is 14.8% of average load 0.194621 LDB: Average compute 0.004384 is 2.3% of average load 0.194621 LDB: TIME 300.217 LOAD: AVG 0.194621 MAX 0.216041 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 227.34 MB LDB: TIME 300.218 LOAD: AVG 0.194621 MAX 0.216041 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 227.34 MB LDB: TIME 300.218 LOAD: AVG 0.194621 MAX 0.216041 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 227.34 MB LDB: ============== END OF LOAD BALANCING =============== 300.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 300.225 PRESSURE: 92400 244.234 -173.142 152.973 -173.143 144.456 152.993 152.972 152.992 -11.4189 GPRESSURE: 92400 219.262 -149.735 115.024 -173.413 227.119 174.916 196.903 199.454 14.8378 PRESSAVG: 92400 20.7829 51.2287 6.42622 51.2287 -29.8355 26.4843 6.42624 26.4843 -12.9756 GPRESSAVG: 92400 21.0009 51.6975 6.22564 50.5348 -30.0262 26.4396 8.4882 27.3975 -13.1348 TIMING: 92400 CPU: 288.059, 0.00318851/step Wall: 288.059, 0.00318851/step, 4.34665 hours remaining, 227.093750 MB of memory in use. ENERGY: 92400 3990.3864 20508.3278 14634.5786 243.1742 -203136.8998 3069.3669 0.0000 0.0000 52165.7871 -108525.2788 299.7975 -160691.0658 -108159.0013 299.5745 125.7570 153.7399 763950.5408 -7.3427 -7.3867 PRESSURE: 92600 260.311 -32.6944 124.425 -32.6939 -52.818 120.593 124.424 120.592 -429.45 GPRESSURE: 92600 209.783 -30.5588 46.1789 -160.399 38.837 149.664 74.0595 208.907 -372.242 PRESSAVG: 92600 -22.3637 -2.11034 20.6506 -2.11032 -11.127 78.5058 20.6507 78.5058 -17.1421 GPRESSAVG: 92600 -21.9938 -2.22572 19.9975 -3.15664 -12.3255 77.2237 19.7845 78.9581 -16.083 TIMING: 92600 CPU: 288.685, 0.00313293/step Wall: 288.685, 0.00313293/step, 4.2707 hours remaining, 227.367188 MB of memory in use. ENERGY: 92600 4104.5699 20742.1852 14632.6553 245.8536 -202979.1967 2857.4811 0.0000 0.0000 52071.2433 -108325.2083 299.2542 -160396.4515 -107964.3067 299.5754 -73.9856 -41.2074 764321.5564 -16.8776 -16.8008 PRESSURE: 92800 126.934 -226.056 -66.5056 -226.056 99.929 -59.6628 -66.5058 -59.6618 -13.9429 GPRESSURE: 92800 202.813 -193.84 -25.5453 -283.465 98.9351 1.90569 2.24372 -58.9604 -31.4839 PRESSAVG: 92800 -37.4971 27.9102 20.4346 27.9102 70.4269 31.0273 20.4346 31.0273 -13.3041 GPRESSAVG: 92800 -37.3521 27.3746 19.7978 27.4847 71.6253 32.1404 21.0125 30.9864 -14.4425 TIMING: 92800 CPU: 289.312, 0.00313311/step Wall: 289.312, 0.00313311/step, 4.27078 hours remaining, 227.371094 MB of memory in use. ENERGY: 92800 3980.1093 20610.5663 14605.8611 254.4981 -202856.2156 2712.4977 0.0000 0.0000 52254.7773 -108437.9057 300.3089 -160692.6830 -108069.6645 299.8623 70.9735 90.0881 763267.3000 6.5419 6.6102 PRESSURE: 93000 -324.727 -182.248 261.548 -182.247 99.2249 -222.924 261.548 -222.923 200.014 GPRESSURE: 93000 -176.943 -113.501 222.302 -238.214 104.504 -198.157 130.797 -106.738 113.663 PRESSAVG: 93000 -24.7321 -34.6222 26.8463 -34.6221 6.63579 88.4206 26.8463 88.4205 -2.46649 GPRESSAVG: 93000 -25.3211 -33.9484 26.0364 -34.7758 6.87248 87.5141 27.1721 88.6481 -1.74802 TIMING: 93000 CPU: 289.938, 0.00312993/step Wall: 289.938, 0.00312993/step, 4.26627 hours remaining, 227.371094 MB of memory in use. ENERGY: 93000 4007.8284 20591.0844 14511.5523 255.5960 -202960.1818 2929.1844 0.0000 0.0000 52108.1598 -108556.7765 299.4663 -160664.9363 -108194.2334 299.6915 -8.4961 13.7416 762956.4812 -6.8543 -6.7322 PRESSURE: 93200 5.72787 497.787 -32.8516 497.787 -546.187 -18.2337 -32.8507 -18.2332 1.02138 GPRESSURE: 93200 -19.1621 326.73 -1.57457 512.252 -528.528 -30.1584 32.5901 -43.176 85.7089 PRESSAVG: 93200 -49.2221 -39.0299 53.4641 -39.0299 27.3076 -44.1117 53.464 -44.1117 -1.19336 GPRESSAVG: 93200 -48.9527 -40.1399 55.8492 -37.8507 26.9501 -43.6558 52.0039 -43.3876 -1.42768 TIMING: 93200 CPU: 290.561, 0.00311523/step Wall: 290.561, 0.00311523/step, 4.24605 hours remaining, 227.371094 MB of memory in use. ENERGY: 93200 4028.6685 20627.4859 14554.0233 263.6352 -202392.1198 2422.5442 0.0000 0.0000 51954.3731 -108541.3897 298.5825 -160495.7628 -108190.8758 299.6400 -179.8127 -153.9939 765127.9715 -7.7026 -7.8101 PRESSURE: 93400 -39.1756 -54.5441 -237.792 -54.5456 -213.543 -129.124 -237.792 -129.126 75.8509 GPRESSURE: 93400 -60.5888 28.6138 -178.653 12.6771 -113.344 -209.826 -105.71 -111.849 71.6153 PRESSAVG: 93400 40.4345 1.54694 9.90116 1.54694 -40.6636 21.4223 9.90115 21.4223 14.0552 GPRESSAVG: 93400 40.8392 3.42441 9.61461 2.16074 -41.0419 19.322 10.6222 20.5768 13.8871 TIMING: 93400 CPU: 291.185, 0.00312009/step Wall: 291.185, 0.00312009/step, 4.25251 hours remaining, 227.371094 MB of memory in use. ENERGY: 93400 4018.3335 20675.2604 14608.4609 264.6764 -202817.5892 2748.0910 0.0000 0.0000 52276.5006 -108226.2664 300.4338 -160502.7670 -107865.5082 300.2136 -58.9558 -34.1058 763652.1679 4.6087 4.5615 PRESSURE: 93600 -223.05 -38.8754 -100.874 -38.8757 -377.609 -112.066 -100.874 -112.067 175.672 GPRESSURE: 93600 -206.287 -36.8378 -129.936 -30.7528 -313.236 -38.6651 -47.5428 -79.6264 162.733 PRESSAVG: 93600 13.3154 5.42051 40.2146 5.42049 35.7251 80.2317 40.2146 80.2317 8.92483 GPRESSAVG: 93600 13.5368 4.50615 38.7513 6.37522 35.2328 81.9003 39.3123 77.9483 8.67558 TIMING: 93600 CPU: 291.809, 0.00312014/step Wall: 291.809, 0.00312014/step, 4.25241 hours remaining, 227.371094 MB of memory in use. ENERGY: 93600 3988.7494 20535.1875 14595.7142 243.3538 -202385.6781 2595.3313 0.0000 0.0000 52158.0929 -108269.2490 299.7533 -160427.3419 -107908.2381 300.1887 -141.6624 -118.9302 765969.5728 19.3218 19.1484 PRESSURE: 93800 40.4494 -18.5671 102.515 -18.5666 -409.467 136.427 102.516 136.428 -187.103 GPRESSURE: 93800 -54.2107 -47.6007 132.222 -47.091 -294.282 44.0116 124.175 123.469 -134.762 PRESSAVG: 93800 -36.2828 3.25694 57.8808 3.25691 45.5727 20.9159 57.8808 20.9158 -10.477 GPRESSAVG: 93800 -36.724 2.98358 57.8665 0.775174 46.2402 20.7719 57.1857 23.2885 -10.59 TIMING: 93800 CPU: 292.434, 0.00312614/step Wall: 292.434, 0.00312614/step, 4.26041 hours remaining, 227.371094 MB of memory in use. ENERGY: 93800 3956.5918 20663.2080 14530.4561 248.7383 -202783.7545 2738.4472 0.0000 0.0000 52192.8980 -108453.4151 299.9533 -160646.3131 -108090.3236 299.9280 -185.3734 -161.0852 765040.6680 -0.3957 -0.3579 PRESSURE: 94000 -69.7166 40.1795 -86.9373 40.179 33.2072 17.7752 -86.9377 17.7755 422.429 GPRESSURE: 94000 -50.3303 29.0685 16.8393 -13.9182 28.542 -80.1373 -158.308 94.1209 489.366 PRESSAVG: 94000 -48.717 -34.6689 -2.05795 -34.6689 51.1993 -6.41654 -2.05798 -6.41647 12.708 GPRESSAVG: 94000 -49.4258 -33.2034 -1.12046 -34.9177 51.1304 -5.776 -0.735894 -5.7793 13.9907 TIMING: 94000 CPU: 293.057, 0.00311265/step Wall: 293.057, 0.00311265/step, 4.24185 hours remaining, 227.410156 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: 94000 4049.7845 20609.7166 14559.9037 261.0367 -202606.7596 2692.6692 0.0000 0.0000 52197.4652 -108236.1837 299.9796 -160433.6490 -107872.1287 299.9537 128.6399 155.8591 763538.5172 5.0634 5.2317 PRESSURE: 94200 -139.332 142.17 255.404 142.169 -347.188 149.63 255.406 149.629 153.017 GPRESSURE: 94200 -70.6135 -88.8673 298.003 162.201 -246.326 227.141 70.0641 212.587 63.0402 PRESSAVG: 94200 -8.518 -28.4901 39.012 -28.4901 -8.67692 -31.8945 39.012 -31.8946 -5.91411 GPRESSAVG: 94200 -8.88053 -30.8634 38.4821 -27.4798 -7.01784 -32.8104 40.4073 -30.1795 -6.99605 TIMING: 94200 CPU: 293.681, 0.00312047/step Wall: 293.681, 0.00312047/step, 4.25234 hours remaining, 227.410156 MB of memory in use. ENERGY: 94200 4028.0372 20748.9709 14563.2847 252.5517 -202699.2694 2654.9745 0.0000 0.0000 52281.0801 -108170.3702 300.4601 -160451.4503 -107807.6756 300.2886 -111.1675 -84.6330 762995.4072 -7.7030 -7.6315 PRESSURE: 94400 -93.0975 -86.2789 -228.204 -86.2796 88.5822 149.488 -228.204 149.488 -340.395 GPRESSURE: 94400 -131.602 -76.9669 -184.132 -168.875 119.503 123.751 -208.901 -44.5903 -262.796 PRESSAVG: 94400 -38.5436 -23.7273 84.0204 -23.7273 40.89 -49.0067 84.0205 -49.0067 21.5016 GPRESSAVG: 94400 -38.0191 -23.3433 83.4806 -24.7988 40.1566 -46.6343 82.0617 -51.6916 21.8355 TIMING: 94400 CPU: 294.305, 0.00311815/step Wall: 294.305, 0.00311815/step, 4.249 hours remaining, 227.410156 MB of memory in use. ENERGY: 94400 4067.1212 20542.1541 14550.2680 255.6698 -202987.2255 2957.1867 0.0000 0.0000 52309.4602 -108305.3655 300.6232 -160614.8257 -107941.1029 300.7199 -114.9703 -91.6317 764576.0954 7.9493 7.9910 PRESSURE: 94600 34.4102 71.6686 149.9 71.6685 -349.98 19.219 149.899 19.2176 -486.155 GPRESSURE: 94600 44.3924 -33.4691 143.023 60.7732 -373.89 -29.5474 96.3068 -36.5752 -375.897 PRESSAVG: 94600 -14.6628 -21.8684 49.6636 -21.8684 -19.4688 -17.4187 49.6636 -17.4186 10.2705 GPRESSAVG: 94600 -14.332 -22.5148 51.2332 -20.2678 -19.9441 -20.5289 48.1065 -15.7026 10.31 TIMING: 94600 CPU: 294.928, 0.00311842/step Wall: 294.928, 0.00311842/step, 4.2492 hours remaining, 227.410156 MB of memory in use. ENERGY: 94600 3959.5467 20611.8607 14586.6637 255.1119 -202399.7268 2570.0656 0.0000 0.0000 52169.7995 -108246.6788 299.8206 -160416.4783 -107886.1323 299.9384 -267.2416 -235.1314 766528.9061 -7.9537 -7.9887 PRESSURE: 94800 -44.8309 -113.946 104.854 -113.945 180.05 -157.547 104.855 -157.546 -55.4121 GPRESSURE: 94800 113.062 -105.688 119.74 31.8729 108.606 -130.915 70.781 -172.442 -64.1055 PRESSAVG: 94800 -30.3108 17.6467 0.47534 17.6467 -5.09005 -12.186 0.475381 -12.186 -6.99394 GPRESSAVG: 94800 -30.5756 18.1309 -0.971546 16.779 -4.65379 -11.133 3.93991 -13.2459 -7.15736 TIMING: 94800 CPU: 295.551, 0.00311175/step Wall: 295.551, 0.00311175/step, 4.23993 hours remaining, 227.410156 MB of memory in use. ENERGY: 94800 3955.9973 20460.7361 14583.6126 276.2936 -202902.4389 3196.6086 0.0000 0.0000 52345.1398 -108084.0511 300.8282 -160429.1909 -107715.9489 299.9845 26.6025 52.5209 765135.6203 -14.1316 -14.1289 PRESSURE: 95000 -108.633 -3.95544 141.164 -3.95533 -560.874 53.9726 141.165 53.9726 78.8123 GPRESSURE: 95000 -90.6353 14.8012 214.686 -32.6987 -471.799 46.3863 98.7815 -3.5014 63.672 PRESSAVG: 95000 4.53284 -8.41448 -10.7646 -8.41457 -23.2658 -12.2607 -10.7646 -12.2608 1.05801 GPRESSAVG: 95000 6.02958 -4.93551 -9.36338 -8.14454 -23.585 -12.3311 -13.4644 -12.7631 0.294034 TIMING: 95000 CPU: 296.172, 0.00310499/step Wall: 296.172, 0.00310499/step, 4.23055 hours remaining, 227.410156 MB of memory in use. ENERGY: 95000 3946.6983 20591.1526 14516.4790 258.3670 -202512.5558 2846.3427 0.0000 0.0000 52109.9128 -108243.6034 299.4764 -160353.5162 -107884.2291 300.3618 -196.8983 -166.2540 764751.1758 -5.8916 -5.7538 PRESSURE: 95200 -194.376 109.795 -143.19 109.795 -20.9699 -134.741 -143.189 -134.741 145.747 GPRESSURE: 95200 -180.313 41.6166 -134.075 23.3479 36.8483 -186.919 -11.7175 -64.1526 159.536 PRESSAVG: 95200 1.84555 16.0366 -1.57384 16.0366 20.4664 -23.6177 -1.57383 -23.6177 26.0539 GPRESSAVG: 95200 0.706976 13.1756 -3.08313 11.816 20.725 -23.4889 -0.106406 -23.4051 27.5168 TIMING: 95200 CPU: 296.796, 0.00312339/step Wall: 296.796, 0.00312339/step, 4.25544 hours remaining, 227.425781 MB of memory in use. ENERGY: 95200 4016.1383 20556.5403 14559.0170 261.4019 -202562.2921 2862.7324 0.0000 0.0000 52257.5517 -108048.9106 300.3249 -160306.4623 -107684.9198 300.6164 -23.1996 5.3570 765593.8439 16.1219 16.3163 PRESSURE: 95400 -262.177 -139.741 -65.4666 -139.74 -127.22 125.155 -65.468 125.156 -303.389 GPRESSURE: 95400 -156.275 -24.4631 -87.9309 -70.2553 -143.642 176.111 -8.78734 156.027 -287.935 PRESSAVG: 95400 -1.94921 -30.0911 49.7569 -30.0911 6.01519 26.2227 49.7569 26.2228 2.75508 GPRESSAVG: 95400 -1.9981 -28.9366 49.778 -26.7258 6.57776 26.1573 49.9025 28.1095 2.11284 TIMING: 95400 CPU: 297.423, 0.00313439/step Wall: 297.423, 0.00313439/step, 4.27026 hours remaining, 227.429688 MB of memory in use. ENERGY: 95400 4038.3969 20693.6170 14462.7784 247.4897 -202461.1750 2610.2098 0.0000 0.0000 52253.8940 -108154.7892 300.3038 -160408.6832 -107788.0246 300.3067 -230.9286 -195.9509 766666.5388 2.2737 2.2308 PRESSURE: 95600 271.353 93.514 -47.3433 93.5138 512.784 -79.5645 -47.3441 -79.5643 117.253 GPRESSURE: 95600 262.586 66.3834 15.2692 121.726 519.439 -3.76744 -7.2262 -6.01592 209.031 PRESSAVG: 95600 17.4176 29.2705 33.6629 29.2706 -18.5966 -7.03551 33.6628 -7.03548 17.5041 GPRESSAVG: 95600 16.5574 26.9141 34.5799 29.322 -18.2265 -7.96361 32.4378 -8.94289 18.3649 TIMING: 95600 CPU: 298.051, 0.00313668/step Wall: 298.051, 0.00313668/step, 4.2732 hours remaining, 227.429688 MB of memory in use. ENERGY: 95600 3941.7269 20452.9525 14503.2831 254.0036 -202370.1907 2786.2870 0.0000 0.0000 52277.2936 -108154.6439 300.4383 -160431.9375 -107792.4598 300.2002 300.4634 330.3519 765464.4517 5.4417 5.5653 PRESSURE: 95800 -7.42775 44.8178 -14.6326 44.8178 -123.949 204.41 -14.6338 204.41 226.919 GPRESSURE: 95800 -2.04218 -34.4117 65.2056 -75.214 -118.342 254.97 32.4372 105.744 285.629 PRESSAVG: 95800 -10.0191 15.0561 9.95243 15.0561 -3.25905 -23.7508 9.95243 -23.7507 -1.77781 GPRESSAVG: 95800 -8.72422 16.1692 9.8493 14.5173 -4.29566 -22.0988 13.0505 -23.6823 -2.04678 TIMING: 95800 CPU: 298.676, 0.00312767/step Wall: 298.676, 0.00312767/step, 4.26076 hours remaining, 227.429688 MB of memory in use. ENERGY: 95800 3983.7299 20634.5181 14570.0920 233.8136 -202915.3797 2970.3988 0.0000 0.0000 52256.0245 -108266.8028 300.3161 -160522.8273 -107898.9350 299.8718 31.8476 55.0813 765206.9244 -5.0187 -5.0222 PRESSURE: 96000 -19.3044 85.242 105.59 85.2425 -153.227 -199.544 105.59 -199.544 -370.371 GPRESSURE: 96000 -39.1314 123.672 64.1797 146.363 -99.2524 -184.261 98.0245 -180.497 -340.877 PRESSAVG: 96000 -0.182562 -32.033 1.592 -32.0329 -24.7681 14.835 1.59192 14.835 13.4702 GPRESSAVG: 96000 0.843893 -32.4614 -0.790927 -31.4412 -25.9906 13.2005 -0.289985 15.9256 13.3993 TIMING: 96000 CPU: 299.301, 0.003125/step Wall: 299.301, 0.003125/step, 4.25695 hours remaining, 227.429688 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: 96000 4020.0888 20708.4985 14582.7799 245.6068 -202885.2839 2846.9922 0.0000 0.0000 52184.8319 -108296.4858 299.9069 -160481.3177 -107939.3792 300.1369 -180.9671 -159.7537 765826.6440 -3.8268 -3.9158 PRESSURE: 96200 29.2717 -48.8446 -3.78046 -48.8449 -51.4093 39.8117 -3.78053 39.8124 27.7992 GPRESSURE: 96200 -20.5841 -36.9924 7.50419 2.61328 68.0581 92.0195 -47.5381 12.0694 40.0816 PRESSAVG: 96200 -68.2629 -6.77957 -5.61377 -6.77955 5.75806 -23.4113 -5.6138 -23.4112 7.99303 GPRESSAVG: 96200 -68.322 -7.44597 -3.56724 -7.03663 7.11312 -22.2891 -5.69774 -24.5666 6.97382 TIMING: 96200 CPU: 299.928, 0.00313428/step Wall: 299.928, 0.00313428/step, 4.26941 hours remaining, 227.429688 MB of memory in use. ENERGY: 96200 4015.0391 20459.1552 14554.4314 237.3943 -202703.3043 2938.2560 0.0000 0.0000 52013.3920 -108485.6363 298.9217 -160499.0283 -108129.8928 299.8042 1.8872 29.1852 765525.4580 -18.1706 -18.0784 LDB: ============= START OF LOAD BALANCING ============== 312.409 LDB: ============== END OF LOAD BALANCING =============== 312.409 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 312.41 LDB: ============= START OF LOAD BALANCING ============== 312.724 LDB: Largest compute 6983 load 0.029137 is 15.0% of average load 0.194572 LDB: Average compute 0.004369 is 2.2% of average load 0.194572 LDB: TIME 312.727 LOAD: AVG 0.194572 MAX 0.215361 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 226.719 MB LDB: TIME 312.728 LOAD: AVG 0.194572 MAX 0.215361 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.719 MB LDB: TIME 312.728 LOAD: AVG 0.194572 MAX 0.215361 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.719 MB LDB: ============== END OF LOAD BALANCING =============== 312.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 312.734 PRESSURE: 96400 -4.45483 121.325 83.1221 121.325 330.554 46.8343 83.1212 46.8351 226.304 GPRESSURE: 96400 -15.7541 211.628 14.7548 45.8415 358.131 18.4451 78.0312 62.8294 302.06 PRESSAVG: 96400 -0.572905 -22.7919 21.7136 -22.792 25.7872 3.66468 21.7137 3.66467 -7.08112 GPRESSAVG: 96400 -2.36925 -20.9621 21.2605 -24.047 27.102 2.64757 22.7309 5.24603 -6.3062 TIMING: 96400 CPU: 300.569, 0.00320349/step Wall: 300.569, 0.00320349/step, 4.36351 hours remaining, 228.773438 MB of memory in use. ENERGY: 96400 4018.5210 20376.4408 14516.6566 259.3170 -203248.0217 3232.8269 0.0000 0.0000 52256.6958 -108587.5635 300.3199 -160844.2594 -108226.5315 299.4571 184.1343 214.8122 764387.2680 6.0444 6.1422 PRESSURE: 96600 -260.924 -61.9172 6.84365 -61.9174 -172.362 217.868 6.84372 217.868 236.346 GPRESSURE: 96600 -225.975 -135.176 -36.2146 72.3136 -122.613 128.11 44.7184 293.887 245.386 PRESSAVG: 96600 -40.348 14.4766 27.022 14.4766 23.5094 -3.15537 27.022 -3.15532 15.5936 GPRESSAVG: 96600 -39.9856 14.1419 26.9334 13.9737 22.4608 -3.83741 25.4022 -3.66162 16.1816 TIMING: 96600 CPU: 301.192, 0.00311508/step Wall: 301.192, 0.00311508/step, 4.24291 hours remaining, 228.773438 MB of memory in use. ENERGY: 96600 3944.1908 20543.9540 14622.2140 277.0987 -202837.5299 2849.0714 0.0000 0.0000 51863.2804 -108737.7207 298.0590 -160601.0010 -108373.6662 298.8491 -65.6464 -34.4006 765886.5141 -0.4150 -0.4478 PRESSURE: 96800 -332.423 -177.392 67.5651 -177.391 -35.4865 172.668 67.5646 172.669 -377.48 GPRESSURE: 96800 -244.051 -277.632 126.939 -106.816 -134.159 133.26 77.4812 204.594 -280.945 PRESSAVG: 96800 0.801294 8.39939 -7.60548 8.39943 -18.8128 -31.6602 -7.60553 -31.6602 -8.41199 GPRESSAVG: 96800 2.81378 5.94805 -8.38276 9.84893 -20.5025 -32.106 -5.97055 -33.2529 -8.7505 TIMING: 96800 CPU: 301.817, 0.00312833/step Wall: 301.817, 0.00312833/step, 4.26079 hours remaining, 228.773438 MB of memory in use. ENERGY: 96800 4050.1532 20561.4834 14517.8572 264.0043 -203114.4388 2940.9301 0.0000 0.0000 51903.2505 -108876.7600 298.2887 -160780.0105 -108516.9073 298.4927 -248.4633 -219.7184 765000.3308 -8.8078 -8.8131 PRESSURE: 97000 21.4203 65.6285 -51.4301 65.6286 143.265 27.2536 -51.4306 27.2543 53.4153 GPRESSURE: 97000 2.74861 65.052 10.7194 29.6714 245.733 -63.85 -74.352 85.912 42.0342 PRESSAVG: 97000 -20.7557 43.108 -17.4238 43.1081 21.4861 -11.7422 -17.4238 -11.7421 4.43973 GPRESSAVG: 97000 -21.3411 44.3826 -17.3198 40.7432 22.4935 -10.392 -18.7253 -11.1004 3.75299 TIMING: 97000 CPU: 302.441, 0.00311622/step Wall: 302.441, 0.00311622/step, 4.24411 hours remaining, 228.773438 MB of memory in use. ENERGY: 97000 3957.0221 20643.1793 14527.6276 243.5641 -203222.5379 3050.7477 0.0000 0.0000 52226.6724 -108573.7247 300.1474 -160800.3971 -108202.8634 298.9176 72.7003 96.8385 765537.6278 1.7234 1.6351 PRESSURE: 97200 32.6999 -57.0395 323.196 -57.0403 -42.0238 68.7164 323.195 68.7161 -14.8805 GPRESSURE: 97200 77.371 -221.809 205.753 -52.5895 -23.0984 29.2927 304.408 13.9128 8.48595 PRESSAVG: 97200 -5.31404 47.4377 -28.3876 47.4376 -1.31045 -8.56023 -28.3875 -8.56023 -12.8574 GPRESSAVG: 97200 -6.6551 48.2362 -28.2919 50.3379 0.715568 -8.49064 -25.611 -8.31785 -13.6773 TIMING: 97200 CPU: 303.066, 0.00312888/step Wall: 303.066, 0.00312888/step, 4.26118 hours remaining, 228.773438 MB of memory in use. ENERGY: 97200 3986.3228 20532.3912 14569.3789 250.5449 -203045.0942 3024.9243 0.0000 0.0000 52037.7258 -108643.8065 299.0615 -160681.5322 -108286.1754 298.4739 -8.0681 20.9195 765031.8112 -6.4940 -6.5389 PRESSURE: 97400 48.7056 170.053 -105.247 170.054 -91.7363 10.277 -105.248 10.2767 101.541 GPRESSURE: 97400 24.763 105.258 -67.0249 112.382 0.736328 66.7292 -105.662 0.782909 130.433 PRESSAVG: 97400 20.6252 15.7925 -17.6609 15.7925 -17.8273 -40.9584 -17.6609 -40.9584 -6.46082 GPRESSAVG: 97400 20.8703 14.9737 -18.9306 12.1734 -19.0674 -41.2076 -19.4846 -40.0799 -5.23408 TIMING: 97400 CPU: 303.696, 0.00315063/step Wall: 303.696, 0.00315063/step, 4.29063 hours remaining, 228.773438 MB of memory in use. ENERGY: 97400 3966.6243 20219.5538 14527.3348 245.8900 -202821.0758 2886.9021 0.0000 0.0000 52160.6587 -108814.1123 299.7680 -160974.7709 -108446.2650 298.7963 19.5036 51.9774 765734.3594 -1.2210 -1.1437 PRESSURE: 97600 131.585 107.631 14.5141 107.631 121.427 -130.363 14.515 -130.363 27.0243 GPRESSURE: 97600 87.4272 170.808 -39.8884 163.985 168.127 -75.9619 -10.3579 -110.887 95.3214 PRESSAVG: 97600 45.7497 -11.4797 -4.54686 -11.4796 -26.6446 36.922 -4.54685 36.9219 7.94994 GPRESSAVG: 97600 46.1627 -12.0863 -2.21799 -7.58097 -27.7472 37.4524 -6.42146 38.365 8.05972 TIMING: 97600 CPU: 304.327, 0.00315328/step Wall: 304.327, 0.00315328/step, 4.29406 hours remaining, 228.773438 MB of memory in use. ENERGY: 97600 3957.0552 20553.6765 14437.7923 247.8568 -203208.7220 3056.1870 0.0000 0.0000 51988.1235 -108968.0307 298.7765 -160956.1542 -108603.7385 298.4508 93.3452 116.9584 766293.6183 9.0184 8.8251 PRESSURE: 97800 -236.529 -21.7102 65.7044 -21.7095 -193.899 226.598 65.704 226.598 -56.2271 GPRESSURE: 97800 -290.493 14.7693 -3.40989 115.712 -94.9192 184.068 67.4963 244.635 -31.0585 PRESSAVG: 97800 -13.013 34.2583 5.99886 34.2583 -3.76659 -27.0051 5.99881 -27.0051 -1.93881 GPRESSAVG: 97800 -14.5934 36.2797 5.76064 33.2962 -4.05208 -27.0986 7.30144 -28.4212 -0.788376 TIMING: 97800 CPU: 304.956, 0.00314363/step Wall: 304.956, 0.00314363/step, 4.28074 hours remaining, 228.773438 MB of memory in use. ENERGY: 97800 3951.2267 20420.1156 14562.9255 259.5628 -203323.2919 2925.6910 0.0000 0.0000 52219.8999 -108983.8704 300.1085 -161203.7703 -108621.2854 298.5603 -162.2184 -138.8234 764775.9846 -6.2395 -6.4780 PRESSURE: 98000 -46.2226 40.9659 77.3099 40.9656 -271.2 -12.9392 77.3096 -12.9379 -10.986 GPRESSURE: 98000 -18.6382 161.288 70.564 141.261 -247.272 -0.800058 86.6608 19.5961 30.2039 PRESSAVG: 98000 13.5565 -35.1156 -3.27517 -35.1156 -0.266227 -59.1207 -3.27518 -59.1208 -5.34125 GPRESSAVG: 98000 15.1447 -35.1452 -4.3446 -35.8887 0.649731 -60.3568 -3.71027 -60.285 -7.96125 TIMING: 98000 CPU: 305.582, 0.00313236/step Wall: 305.582, 0.00313236/step, 4.26523 hours remaining, 228.773438 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: 98000 3942.8369 20505.1476 14483.1821 247.0179 -203042.3404 2850.4035 0.0000 0.0000 51634.8235 -109378.9290 296.7460 -161013.7525 -109027.5847 297.9929 -109.4695 -78.5687 765486.4551 2.6497 2.6111 PRESSURE: 98200 245.055 -103.576 -0.354589 -103.576 14.9874 -116.309 -0.354746 -116.309 177.539 GPRESSURE: 98200 228.419 -83.221 57.9853 -81.3463 78.9799 -197.678 -62.3014 19.87 201.774 PRESSAVG: 98200 -15.4904 -80.4729 3.66367 -80.4729 5.06855 -42.6171 3.66368 -42.617 26.5286 GPRESSAVG: 98200 -16.0574 -81.0437 2.80029 -80.9537 4.77453 -42.6413 3.9217 -41.0891 27.4283 TIMING: 98200 CPU: 306.206, 0.00311654/step Wall: 306.206, 0.00311654/step, 4.24352 hours remaining, 228.773438 MB of memory in use. ENERGY: 98200 3966.2783 20539.1792 14569.5369 250.9511 -203169.3845 2926.3017 0.0000 0.0000 51788.5414 -109128.5960 297.6295 -160917.1373 -108749.3615 297.6321 145.8603 169.7244 765684.7610 5.3689 5.3818 PRESSURE: 98400 -313.49 119.67 -114.181 119.67 17.8273 120.703 -114.182 120.704 103.549 GPRESSURE: 98400 -147.404 99.602 8.22637 64.3384 -0.948817 120.524 1.44053 76.9793 37.7432 PRESSAVG: 98400 -66.4358 -47.299 2.02635 -47.299 50.9406 -27.8171 2.02634 -27.8172 8.31096 GPRESSAVG: 98400 -66.4847 -48.2413 4.16292 -46.018 50.1645 -26.173 0.502803 -30.1719 8.83075 TIMING: 98400 CPU: 306.83, 0.00312223/step Wall: 306.83, 0.00312223/step, 4.2511 hours remaining, 228.773438 MB of memory in use. ENERGY: 98400 3983.6152 20452.0541 14532.0277 270.8446 -203237.9044 2953.1501 0.0000 0.0000 51998.5977 -109047.6150 298.8367 -161046.2128 -108682.1748 298.4041 -64.0379 -36.8698 765149.6747 -2.3947 -2.4965 PRESSURE: 98600 -465.399 241.631 -15.0426 241.632 -207.796 -176.672 -15.0425 -176.673 -61.0549 GPRESSURE: 98600 -455.165 108.09 -7.48277 281.403 -154.385 -191.792 5.44713 -112.288 -42.4689 PRESSAVG: 98600 -41.1495 -37.3019 -26.5825 -37.3019 43.9708 -34.8329 -26.5825 -34.8329 -33.2639 GPRESSAVG: 98600 -40.8154 -36.548 -27.5946 -37.873 43.369 -35.326 -26.3576 -34.0343 -32.8944 TIMING: 98600 CPU: 307.453, 0.00311231/step Wall: 307.453, 0.00311231/step, 4.23741 hours remaining, 228.773438 MB of memory in use. ENERGY: 98600 4009.6582 20528.0581 14544.0414 248.6150 -203141.4168 2992.1459 0.0000 0.0000 51805.3791 -109013.5191 297.7262 -160818.8982 -108652.0368 297.8777 -244.7500 -217.3398 766294.2574 -10.1475 -10.1136 PRESSURE: 98800 -51.573 -179.757 -99.2676 -179.756 85.7921 -54.6888 -99.2682 -54.6904 106.773 GPRESSURE: 98800 -3.8323 -211.633 -41.8404 -162.165 95.4512 -82.2457 -144.543 -220.038 108.426 PRESSAVG: 98800 -55.613 -31.341 -25.9306 -31.341 40.6096 -5.35982 -25.9306 -5.35989 19.086 GPRESSAVG: 98800 -55.7772 -32.6874 -26.8698 -30.6838 40.7843 -5.03814 -25.0061 -6.81342 19.4761 TIMING: 98800 CPU: 308.077, 0.00312046/step Wall: 308.077, 0.00312046/step, 4.24834 hours remaining, 228.773438 MB of memory in use. ENERGY: 98800 3962.5902 20514.7742 14499.2483 244.5636 -202980.8794 2815.2129 0.0000 0.0000 51831.8335 -109112.6567 297.8783 -160944.4902 -108749.1790 298.6495 46.9972 66.6816 764353.7086 1.3609 1.4944 PRESSURE: 99000 -224.3 111.184 -109.232 111.183 -82.2209 -53.4178 -109.232 -53.4177 -373.341 GPRESSURE: 99000 -190.83 -31.2077 -170.39 67.6336 -89.7657 -12.3749 -106.02 21.5677 -322.024 PRESSAVG: 99000 -42.6723 20.4878 20.0299 20.4878 14.5307 -17.8519 20.03 -17.8518 21.263 GPRESSAVG: 99000 -42.1263 20.2029 19.9293 19.79 14.0042 -17.7952 18.4553 -18.0572 21.0502 TIMING: 99000 CPU: 308.701, 0.00312352/step Wall: 308.701, 0.00312352/step, 4.25232 hours remaining, 228.773438 MB of memory in use. ENERGY: 99000 3985.0285 20413.7940 14467.8407 237.3507 -203011.8747 2821.9045 0.0000 0.0000 51985.5952 -109100.3610 298.7619 -161085.9563 -108736.5217 298.3356 -226.6205 -200.8731 764467.6194 -2.2929 -2.3573 PRESSURE: 99200 -337.184 120.987 200.696 120.987 13.1374 543.875 200.696 543.875 -195.825 GPRESSURE: 99200 -263.301 93.8307 198.278 119.156 68.5918 526.131 204.248 368.002 -249.639 PRESSAVG: 99200 -32.4455 42.9645 -27.8762 42.9645 37.67 10.2728 -27.8762 10.2727 -7.38302 GPRESSAVG: 99200 -33.3709 44.469 -26.6189 43.8374 38.3392 10.736 -25.9217 10.0861 -7.19468 TIMING: 99200 CPU: 309.325, 0.00311877/step Wall: 309.325, 0.00311877/step, 4.24569 hours remaining, 228.773438 MB of memory in use. ENERGY: 99200 3973.0226 20512.2589 14473.0067 255.4651 -202981.9641 2725.5412 0.0000 0.0000 52001.1492 -109041.5203 298.8513 -161042.6696 -108671.0205 298.4315 -173.2906 -148.1160 765416.4161 -0.7195 -0.7421 PRESSURE: 99400 106.683 -96.4464 -205.011 -96.4456 -107.207 -108.131 -205.01 -108.131 47.1816 GPRESSURE: 99400 89.8213 -90.2237 -212.788 -128.845 -88.535 -61.8403 -237.046 -66.5327 119.485 PRESSAVG: 99400 -52.86 -36.926 -7.52291 -36.926 88.8025 31.7873 -7.5229 31.7873 -3.36412 GPRESSAVG: 99400 -53.4412 -37.4875 -7.8995 -37.5338 88.5978 31.2449 -8.01095 31.5143 -2.86011 TIMING: 99400 CPU: 309.951, 0.00313002/step Wall: 309.951, 0.00313002/step, 4.26083 hours remaining, 228.773438 MB of memory in use. ENERGY: 99400 3994.0058 20636.6803 14489.8367 242.4661 -203564.9665 3060.5240 0.0000 0.0000 51934.9174 -109206.5362 298.4707 -161141.4536 -108847.0261 298.1845 15.5523 40.2571 762921.6244 10.8595 10.7655 PRESSURE: 99600 27.391 11.7177 -245.575 11.7175 562.701 -32.2131 -245.576 -32.2128 160.938 GPRESSURE: 99600 143.145 32.9108 -307.821 17.2536 542.698 -31.7293 -145.623 -56.2595 145.054 PRESSAVG: 99600 -21.3682 41.4276 50.4218 41.4277 12.7651 19.9103 50.4218 19.9103 27.4403 GPRESSAVG: 99600 -20.2011 43.9855 51.1491 40.8324 12.1337 19.1324 50.6279 22.5835 26.7874 TIMING: 99600 CPU: 310.574, 0.00311491/step Wall: 310.574, 0.00311491/step, 4.24008 hours remaining, 228.773438 MB of memory in use. ENERGY: 99600 3948.0587 20596.4201 14447.8476 248.7196 -203219.8975 3036.0248 0.0000 0.0000 52115.1962 -108827.6304 299.5067 -160942.8266 -108464.7585 298.9792 250.3432 276.9655 764416.1762 6.2791 6.2400 PRESSURE: 99800 20.7248 -16.7147 91.3514 -16.7151 -139.651 183.043 91.3517 183.042 259.597 GPRESSURE: 99800 39.9943 -41.2077 79.9556 -60.5019 -98.5048 148.062 75.3402 206.263 260.582 PRESSAVG: 99800 9.74153 35.5766 -19.6348 35.5766 9.27896 46.39 -19.6348 46.3901 -20.4463 GPRESSAVG: 99800 8.01692 35.1546 -19.7285 34.9346 11.0695 47.2333 -19.4018 45.0669 -21.0139 TIMING: 99800 CPU: 311.197, 0.0031142/step Wall: 311.197, 0.0031142/step, 4.23894 hours remaining, 228.773438 MB of memory in use. ENERGY: 99800 3985.5433 20486.5728 14515.7905 256.2617 -202889.4680 2904.1551 0.0000 0.0000 51999.6165 -108741.5281 298.8425 -160741.1447 -108376.2753 298.9927 46.8900 67.3573 764890.4498 -0.4753 -0.6425 OPENING COORDINATE DCD FILE WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 100000 WRITING COORDINATES TO RESTART FILE AT STEP 100000 FINISHED WRITING RESTART COORDINATES The last position output (seq=100000) takes 0.016 seconds, 233.152 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 100000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=100000) takes 0.005 seconds, 234.363 MB of memory in use PRESSURE: 100000 -89.9108 21.4607 45.0484 21.4607 -7.18321 198.452 45.0485 198.451 11.7692 GPRESSURE: 100000 -20.2462 65.4878 86.2629 96.6097 -49.9532 172.637 -18.9256 62.9765 62.7419 PRESSAVG: 100000 -31.7564 2.36336 15.7744 2.36334 21.3893 26.4663 15.7744 26.4663 28.5238 GPRESSAVG: 100000 -31.4521 2.8449 16.4767 2.81472 20.025 23.8442 15.0415 27.4725 29.7655 TIMING: 100000 CPU: 311.849, 0.00325797/step Wall: 311.849, 0.00325797/step, 4.43446 hours remaining, 234.367188 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: 100000 3979.0942 20650.0739 14477.5733 243.6560 -203106.4200 2987.7539 0.0000 0.0000 51987.5987 -108780.6700 298.7734 -160768.2687 -108420.1749 298.8620 -28.4416 -2.4858 764766.9881 6.0522 6.1128 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 100000 PRESSURE: 100200 -110.496 35.7427 28.5429 35.7422 -291.057 149.001 28.5428 149.001 97.1989 GPRESSURE: 100200 -29.9965 168.643 98.179 -76.6949 -205.362 204.447 -3.76061 104.991 14.5365 PRESSAVG: 100200 -77.2209 2.17911 11.8873 2.17903 70.2564 -36.0261 11.8873 -36.0261 -8.19158 GPRESSAVG: 100200 -77.1841 0.982902 13.1323 1.40225 70.1772 -34.733 12.8403 -35.8913 -7.95067 TIMING: 100200 CPU: 312.47, 0.0031081/step Wall: 312.47, 0.0031081/step, 4.23029 hours remaining, 234.367188 MB of memory in use. ENERGY: 100200 3904.9349 20449.7632 14459.1606 248.9649 -203188.5324 2775.0324 0.0000 0.0000 52271.2843 -109079.3921 300.4038 -161350.6764 -108709.0714 299.1682 -101.4516 -73.6073 763843.1375 -5.0520 -4.9859 LDB: ============= START OF LOAD BALANCING ============== 324.946 LDB: ============== END OF LOAD BALANCING =============== 324.946 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 324.948 LDB: ============= START OF LOAD BALANCING ============== 325.26 LDB: Largest compute 7006 load 0.029316 is 15.1% of average load 0.194523 LDB: Average compute 0.004360 is 2.2% of average load 0.194523 LDB: TIME 325.264 LOAD: AVG 0.194523 MAX 0.214452 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.367 MB LDB: TIME 325.264 LOAD: AVG 0.194523 MAX 0.214452 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.367 MB LDB: TIME 325.264 LOAD: AVG 0.194523 MAX 0.214452 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.367 MB LDB: ============== END OF LOAD BALANCING =============== 325.266 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 325.271 PRESSURE: 100400 -214.965 127.69 -38.3857 127.689 183.42 -135.274 -38.3855 -135.274 -118.018 GPRESSURE: 100400 -260.163 74.7385 -25.9342 51.6317 199.98 -76.3529 -89.1577 -237.592 -14.7288 PRESSAVG: 100400 -45.0287 -50.8205 47.7492 -50.8205 44.0887 -29.7135 47.7492 -29.7135 15.5849 GPRESSAVG: 100400 -44.9294 -50.2595 46.8679 -49.3648 43.9396 -30.0097 47.3206 -29.6267 15.0021 TIMING: 100400 CPU: 313.105, 0.00317311/step Wall: 313.105, 0.00317311/step, 4.31861 hours remaining, 235.074219 MB of memory in use. ENERGY: 100400 3971.0645 20522.4332 14477.0427 240.3805 -202792.2983 2738.1706 0.0000 0.0000 52073.6051 -108769.6018 299.2677 -160843.2069 -108410.8069 298.7929 -49.8540 -24.9709 762827.6124 4.8817 4.6708 PRESSURE: 100600 48.1454 -178.156 65.2461 -178.156 128.795 -193.903 65.2462 -193.903 105.184 GPRESSURE: 100600 -48.0976 -32.4777 173.109 -197.211 343.547 -153.844 16.8678 -196.059 75.8152 PRESSAVG: 100600 -27.5735 -6.13077 1.63553 -6.13076 42.585 -38.3037 1.63552 -38.3036 15.9977 GPRESSAVG: 100600 -28.2125 -6.43006 0.714749 -7.35165 42.9246 -37.5156 0.932515 -39.252 16.5469 TIMING: 100600 CPU: 313.731, 0.00313006/step Wall: 313.731, 0.00313006/step, 4.25984 hours remaining, 235.187500 MB of memory in use. ENERGY: 100600 3859.3162 20621.6669 14487.7840 239.5770 -203018.5530 3182.0887 0.0000 0.0000 52042.8329 -108585.2873 299.0909 -160628.1202 -108222.1331 299.3693 94.0413 123.7548 764503.3110 10.3364 10.4197 PRESSURE: 100800 118.494 67.8491 -42.2952 67.849 164.314 124.082 -42.2955 124.083 33.7087 GPRESSURE: 100800 97.352 110.059 -85.2352 66.6292 298.932 75.9292 -74.366 82.9176 -7.37598 PRESSAVG: 100800 -79.3416 -18.2319 -18.1908 -18.2319 70.1764 -22.2773 -18.1908 -22.2773 -16.1571 GPRESSAVG: 100800 -78.7013 -18.2376 -17.5365 -16.6088 70.8096 -22.1415 -16.5957 -23.1494 -17.7477 TIMING: 100800 CPU: 314.352, 0.00310702/step Wall: 314.352, 0.00310702/step, 4.2283 hours remaining, 235.257812 MB of memory in use. ENERGY: 100800 3940.7714 20557.9296 14533.4441 257.5274 -202781.2070 2766.2911 0.0000 0.0000 52167.0456 -108558.1978 299.8047 -160725.2434 -108203.1615 299.6628 105.5055 129.6359 766520.5993 -8.4407 -8.5465 PRESSURE: 101000 120.348 -11.3412 -54.3634 -11.3403 374.545 94.5785 -54.3629 94.5798 296.747 GPRESSURE: 101000 173.509 -83.3812 -1.84875 -18.2494 364.798 25.8175 69.5324 13.2652 332.76 PRESSAVG: 101000 -42.0766 -30.7747 -11.9429 -30.7747 84.0003 11.7981 -11.9429 11.7982 -5.1337 GPRESSAVG: 101000 -42.5217 -30.172 -13.836 -31.4469 83.1925 11.943 -11.8591 11.6703 -4.07345 TIMING: 101000 CPU: 314.974, 0.00311111/step Wall: 314.974, 0.00311111/step, 4.23371 hours remaining, 235.257812 MB of memory in use. ENERGY: 101000 3940.4612 20593.1582 14577.0635 254.8194 -203370.2484 3141.7804 0.0000 0.0000 52302.7847 -108560.1810 300.5848 -160862.9657 -108191.9261 299.6335 263.8800 290.3557 762576.2794 12.2633 12.1991 PRESSURE: 101200 72.6597 176.272 79.5856 176.272 -58.6657 -87.9011 79.5849 -87.9004 -173.859 GPRESSURE: 101200 74.792 65.1755 56.3673 180.133 -79.5628 -99.4361 68.1182 -10.9207 -47.3991 PRESSAVG: 101200 -63.379 -70.4536 -42.7609 -70.4536 52.1378 22.2332 -42.7609 22.2332 17.96 GPRESSAVG: 101200 -62.8662 -73.1509 -40.5641 -72.1112 52.3321 23.32 -44.7533 21.8134 17.8337 TIMING: 101200 CPU: 315.6, 0.00312883/step Wall: 315.6, 0.00312883/step, 4.25764 hours remaining, 235.257812 MB of memory in use. ENERGY: 101200 4059.6699 20429.9552 14503.9186 242.4259 -203237.0779 3162.6579 0.0000 0.0000 52088.7610 -108749.6894 299.3548 -160838.4504 -108395.6587 299.4933 -53.2882 -17.3899 766001.0243 2.2396 2.4332 PRESSURE: 101400 73.8774 30.4096 -71.4657 30.41 19.554 -61.9581 -71.4649 -61.9584 149.453 GPRESSURE: 101400 51.0292 125.185 -161.112 31.3966 111.721 11.0598 98.4111 -127.261 178.198 PRESSAVG: 101400 -13.8913 18.8801 23.5282 18.8801 7.05959 -16.0169 23.5281 -16.0168 -13.9786 GPRESSAVG: 101400 -15.5449 20.7361 21.4821 18.8306 8.17371 -19.0358 24.4723 -13.3842 -13.7731 TIMING: 101400 CPU: 316.228, 0.00313823/step Wall: 316.228, 0.00313823/step, 4.27026 hours remaining, 235.257812 MB of memory in use. ENERGY: 101400 3982.9462 20497.5203 14573.7779 243.4876 -203201.2088 3224.8353 0.0000 0.0000 52230.6307 -108448.0108 300.1702 -160678.6416 -108077.2100 299.3416 80.9615 113.6496 768137.6528 -6.9368 -7.0481 PRESSURE: 101600 -3.46864 -130.526 95.7872 -130.527 -28.9914 -87.8205 95.7861 -87.8186 57.1864 GPRESSURE: 101600 32.7047 -91.8024 15.3664 -237.541 -58.4938 -83.2881 89.9297 -184.407 119.981 PRESSAVG: 101600 -2.17049 -31.6235 24.9091 -31.6235 1.4018 -10.5344 24.9091 -10.5344 -11.8454 GPRESSAVG: 101600 0.31695 -31.0389 26.5047 -30.5633 -0.406111 -9.66205 25.4607 -10.464 -12.5077 TIMING: 101600 CPU: 316.854, 0.00313002/step Wall: 316.854, 0.00313002/step, 4.25892 hours remaining, 235.257812 MB of memory in use. ENERGY: 101600 4048.8304 20541.7834 14520.7729 252.7894 -202780.0096 2878.9923 0.0000 0.0000 52142.0199 -108394.8213 299.6609 -160536.8412 -108032.9509 299.6627 8.2421 31.3972 766906.2879 -4.2047 -4.1989 PRESSURE: 101800 -68.6735 -59.1567 42.0015 -59.1561 -462.835 284.567 42.0015 284.567 -271.586 GPRESSURE: 101800 -156.879 -74.702 37.2362 -178.874 -447.319 264.758 29.2191 126.582 -105.957 PRESSAVG: 101800 14.8246 -29.8032 69.5056 -29.8032 27.8215 31.2415 69.5056 31.2415 10.3644 GPRESSAVG: 101800 13.295 -30.6034 70.1598 -32.1396 27.1729 31.7033 69.5007 28.968 12.2723 TIMING: 101800 CPU: 317.48, 0.00313021/step Wall: 317.48, 0.00313021/step, 4.259 hours remaining, 235.257812 MB of memory in use. ENERGY: 101800 3966.7187 20389.3024 14537.1576 247.9034 -202990.5211 2958.6345 0.0000 0.0000 52287.2404 -108603.5642 300.4955 -160890.8047 -108242.0604 299.4974 -267.6981 -236.7181 769093.2266 17.6702 17.5801 PRESSURE: 102000 -10.3345 27.7845 239.576 27.7844 -128.03 -55.6247 239.577 -55.6251 468.906 GPRESSURE: 102000 14.4899 -59.9914 168.787 -0.633737 -69.4638 -58.8339 181.556 -118.552 441.257 PRESSAVG: 102000 4.17905 -51.8372 -0.311117 -51.8372 2.06234 17.4481 -0.311036 17.4481 -30.1402 GPRESSAVG: 102000 4.36433 -53.1239 -2.12872 -48.8602 2.73693 17.476 -0.69739 17.8294 -30.6818 TIMING: 102000 CPU: 318.106, 0.00312817/step Wall: 318.106, 0.00312817/step, 4.25606 hours remaining, 235.257812 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: 102000 4010.6268 20500.8186 14528.1621 241.1968 -202751.0125 2839.4850 0.0000 0.0000 52275.2243 -108355.4989 300.4264 -160630.7233 -107992.6612 300.0675 110.1806 128.7610 766619.6808 -7.9663 -7.8602 PRESSURE: 102200 -194.062 -5.19177 13.7211 -5.19253 184.123 -64.2391 13.7216 -64.2401 -380.063 GPRESSURE: 102200 -194.332 32.6313 13.352 -95.0356 214.38 45.1068 71.7188 7.07877 -318.935 PRESSAVG: 102200 -35.154 -30.007 -23.7843 -30.0069 11.594 17.0072 -23.7843 17.0072 26.1199 GPRESSAVG: 102200 -34.2413 -25.622 -24.4382 -31.3615 11.2311 17.0944 -21.7647 16.7544 25.5113 TIMING: 102200 CPU: 318.729, 0.00311635/step Wall: 318.729, 0.00311635/step, 4.2398 hours remaining, 235.257812 MB of memory in use. ENERGY: 102200 4022.2590 20722.6637 14543.3894 257.5340 -202721.0421 2819.3613 0.0000 0.0000 52130.1098 -108225.7248 299.5925 -160355.8347 -107864.9427 300.2049 -130.0007 -99.6289 765272.8926 0.8533 0.8337 PRESSURE: 102400 -193.881 81.3635 -38.8531 81.3635 99.5824 47.0394 -38.8542 47.0394 -281.02 GPRESSURE: 102400 -104.748 -23.6076 22.3502 99.6038 92.233 64.4308 -105.078 53.3419 -273.281 PRESSAVG: 102400 -73.4701 41.7689 -48.1908 41.7689 51.83 71.4224 -48.1908 71.4224 -4.07701 GPRESSAVG: 102400 -74.7376 38.2318 -46.6139 40.7599 52.78 72.0179 -49.668 72.4447 -3.73694 TIMING: 102400 CPU: 319.353, 0.00312163/step Wall: 319.353, 0.00312163/step, 4.2468 hours remaining, 235.257812 MB of memory in use. ENERGY: 102400 4105.3649 20503.2141 14489.0482 249.9710 -203028.4242 2945.6831 0.0000 0.0000 52245.8408 -108489.3020 300.2576 -160735.1428 -108134.5255 300.0059 -125.1064 -95.2654 765903.3086 -8.5724 -8.5648 PRESSURE: 102600 -66.0865 38.3723 117.229 38.3721 80.8527 -80.4205 117.228 -80.422 21.8337 GPRESSURE: 102600 32.9205 47.204 65.5274 69.7911 79.6116 -120.123 180.773 37.2998 21.5161 PRESSAVG: 102600 -17.3335 -9.1122 -26.7746 -9.11224 10.1573 12.1559 -26.7746 12.1558 2.83085 GPRESSAVG: 102600 -16.9231 -8.16334 -27.8909 -8.90897 10.5631 10.373 -27.3474 12.3187 2.78522 TIMING: 102600 CPU: 319.977, 0.00311918/step Wall: 319.977, 0.00311918/step, 4.2433 hours remaining, 235.257812 MB of memory in use. ENERGY: 102600 4049.5656 20560.9136 14516.4286 243.2845 -202547.3765 2743.5953 0.0000 0.0000 51845.0486 -108588.5402 297.9542 -160433.5888 -108232.7920 299.2426 12.2000 44.6827 766316.1644 -1.4484 -1.1916 PRESSURE: 102800 15.4344 139.744 -162.26 139.745 169.831 368.652 -162.26 368.651 487.946 GPRESSURE: 102800 142.507 53.7478 -9.09618 124.849 94.1437 389.861 -213.409 321.435 507.849 PRESSAVG: 102800 -2.14913 32.9298 -24.9523 32.9298 -25.5242 51.4565 -24.9523 51.4565 -20.503 GPRESSAVG: 102800 -2.16897 33.0549 -25.217 32.8784 -25.8335 52.8613 -24.0024 49.7966 -20.0694 TIMING: 102800 CPU: 320.601, 0.00312275/step Wall: 320.601, 0.00312275/step, 4.24799 hours remaining, 235.257812 MB of memory in use. ENERGY: 102800 3997.1068 20557.9930 14557.7173 251.5878 -203470.4038 3323.6577 0.0000 0.0000 52228.0648 -108554.2764 300.1554 -160782.3412 -108188.9217 299.0958 224.4036 248.1668 764857.7893 -16.0588 -16.0240 PRESSURE: 103000 -216.609 -20.8689 -102.074 -20.8692 -57.0644 220.477 -102.073 220.478 -198.056 GPRESSURE: 103000 -90.0211 -75.2665 -70.938 -34.681 -112.091 114.476 -39.8009 106.084 -194.198 PRESSAVG: 103000 -40.7481 7.64714 5.17685 7.64714 -9.72553 49.9232 5.17685 49.9232 6.44151 GPRESSAVG: 103000 -39.2592 6.23199 6.01962 9.50334 -9.97655 50.0675 4.02662 49.8066 5.53318 TIMING: 103000 CPU: 321.228, 0.00313148/step Wall: 321.228, 0.00313148/step, 4.25968 hours remaining, 235.257812 MB of memory in use. ENERGY: 103000 4025.8255 20649.4442 14550.0768 247.5813 -202966.3394 2897.2616 0.0000 0.0000 52019.0578 -108577.0922 298.9542 -160596.1500 -108221.4481 299.4869 -157.2434 -132.1031 768271.9919 -14.6774 -14.5675 PRESSURE: 103200 -32.282 -14.0818 -182.427 -14.0815 -66.6889 -130.976 -182.426 -130.976 -237.469 GPRESSURE: 103200 46.3882 -78.3013 -207.524 -30.309 -29.2473 -64.221 -83.2751 -77.5781 -262.742 PRESSAVG: 103200 -52.6054 56.4447 -15.3357 56.4448 66.3936 37.2449 -15.3357 37.2449 19.2153 GPRESSAVG: 103200 -53.4333 59.5149 -14.8463 56.1002 67.4089 36.733 -15.5024 38.8647 19.343 TIMING: 103200 CPU: 321.854, 0.00313352/step Wall: 321.854, 0.00313352/step, 4.26229 hours remaining, 235.257812 MB of memory in use. ENERGY: 103200 4022.4910 20546.1684 14534.8186 269.0314 -202939.0917 2799.4156 0.0000 0.0000 52193.4900 -108573.6769 299.9567 -160767.1669 -108200.2174 299.2555 -112.1465 -81.8671 766701.2900 11.0012 11.1062 PRESSURE: 103400 -158.557 -15.2709 -119.251 -15.271 -118.136 181.816 -119.251 181.817 -179.981 GPRESSURE: 103400 -79.798 -30.8963 -157.011 5.62817 -136.038 131.424 -85.9671 296.743 -162.571 PRESSAVG: 103400 -25.7449 18.5673 -22.2935 18.5673 82.68 17.5394 -22.2934 17.5394 21.1175 GPRESSAVG: 103400 -25.0341 17.7698 -23.9127 17.3761 81.969 17.2973 -21.1348 17.9687 21.1222 TIMING: 103400 CPU: 322.479, 0.00312012/step Wall: 322.479, 0.00312012/step, 4.24389 hours remaining, 235.257812 MB of memory in use. ENERGY: 103400 4035.7858 20609.3086 14569.1425 242.7890 -203248.4577 3172.0808 0.0000 0.0000 52035.8971 -108583.4539 299.0510 -160619.3510 -108219.7972 299.7453 -152.2246 -126.1359 764425.3786 26.0175 26.0190 PRESSURE: 103600 502.245 -131.256 -187.13 -131.256 332.235 83.1742 -187.13 83.1737 273.773 GPRESSURE: 103600 508.009 -166.464 -253.321 -102.53 393.19 79.102 -169.721 -7.88212 280.895 PRESSAVG: 103600 -44.8643 -64.8916 -22.4045 -64.8915 -11.2916 40.2328 -22.4045 40.2327 3.94366 GPRESSAVG: 103600 -45.1999 -66.7192 -22.2225 -63.1905 -10.454 40.4059 -24.3391 41.2526 3.09083 TIMING: 103600 CPU: 323.103, 0.0031204/step Wall: 323.103, 0.0031204/step, 4.24409 hours remaining, 235.257812 MB of memory in use. ENERGY: 103600 4019.0905 20518.0383 14558.4011 252.4521 -202773.1037 2950.7891 0.0000 0.0000 52244.4707 -108229.8619 300.2497 -160474.3327 -107872.9593 299.7265 369.4175 394.0313 764912.7224 -17.4041 -17.5210 PRESSURE: 103800 71.362 -15.8232 114.21 -15.8236 315.867 47.5494 114.21 47.5493 339.063 GPRESSURE: 103800 121.943 21.3558 160.554 -105.348 387.698 25.3783 153.088 112.835 299.704 PRESSAVG: 103800 13.9528 -13.8616 50.405 -13.8615 -8.63144 32.3228 50.4049 32.3229 12.7939 GPRESSAVG: 103800 13.4041 -12.9696 51.2898 -14.0587 -10.4673 32.8817 51.0265 31.7052 14.7196 TIMING: 103800 CPU: 323.725, 0.00311414/step Wall: 323.725, 0.00311414/step, 4.23541 hours remaining, 235.257812 MB of memory in use. ENERGY: 103800 3994.5116 20581.7250 14552.7712 271.6112 -203077.5200 3228.1784 0.0000 0.0000 52035.3741 -108413.3485 299.0480 -160448.7226 -108057.9347 300.0196 242.0972 269.7816 764861.1316 6.0384 5.8855 PRESSURE: 104000 -330.719 -97.1629 56.0849 -97.1621 298.654 26.2133 56.0848 26.2133 -14.6902 GPRESSURE: 104000 -207.037 -147.873 47.2269 -64.6684 241.188 -46.4249 254.162 -13.1255 -0.82256 PRESSAVG: 104000 -80.7984 -35.0103 16.9758 -35.0103 93.18 3.35591 16.9757 3.356 3.25947 GPRESSAVG: 104000 -80.7702 -34.7374 16.1094 -35.7716 93.5627 2.70999 19.1439 2.88236 2.98341 TIMING: 104000 CPU: 324.349, 0.00311936/step Wall: 324.349, 0.00311936/step, 4.24233 hours remaining, 235.257812 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: 104000 4031.8583 20678.3109 14518.4551 238.1368 -202819.6912 2743.2379 0.0000 0.0000 52235.9055 -108373.7868 300.2005 -160609.6923 -108009.4463 299.4000 -15.5849 11.1098 764914.1991 5.2137 5.2586 PRESSURE: 104200 253.401 -331.49 -211.758 -331.491 151.29 -220.939 -211.758 -220.94 262.04 GPRESSURE: 104200 268.817 -274.119 -318.434 -319.751 241.724 -109.762 13.9606 -196.625 232.097 PRESSAVG: 104200 0.497782 -14.9714 38.3556 -14.9715 39.6325 1.69881 38.3556 1.69884 17.3924 GPRESSAVG: 104200 0.677482 -16.7549 38.1235 -14.0391 40.493 3.27843 36.5718 -0.394093 16.5575 TIMING: 104200 CPU: 324.971, 0.00310966/step Wall: 324.971, 0.00310966/step, 4.22897 hours remaining, 235.257812 MB of memory in use. ENERGY: 104200 3956.8659 20767.7344 14537.7622 247.1617 -203095.6207 3036.3063 0.0000 0.0000 52022.0968 -108527.6933 298.9717 -160549.7902 -108166.3276 300.1011 222.2438 247.5459 762559.1480 19.1742 19.2427 LDB: ============= START OF LOAD BALANCING ============== 337.448 LDB: ============== END OF LOAD BALANCING =============== 337.448 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 337.45 LDB: ============= START OF LOAD BALANCING ============== 337.762 LDB: Largest compute 6985 load 0.029445 is 15.1% of average load 0.194489 LDB: Average compute 0.004371 is 2.2% of average load 0.194489 LDB: TIME 337.766 LOAD: AVG 0.194489 MAX 0.214664 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.176 MB LDB: TIME 337.766 LOAD: AVG 0.194489 MAX 0.214664 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.27 MB LDB: TIME 337.766 LOAD: AVG 0.194489 MAX 0.214664 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.27 MB LDB: ============== END OF LOAD BALANCING =============== 337.768 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 337.773 PRESSURE: 104400 98.9207 -117.62 180.049 -117.621 -47.6084 -253.767 180.048 -253.768 36.2216 GPRESSURE: 104400 175.981 14.6349 178.376 -108.613 -42.5778 -268.498 57.0343 -266.742 12.1609 PRESSAVG: 104400 -26.8567 -52.8272 24.0748 -52.8272 20.3523 -25.6666 24.0749 -25.6665 6.24752 GPRESSAVG: 104400 -26.5591 -51.1267 24.356 -53.4511 19.6008 -27.7958 24.1403 -23.391 5.88275 TIMING: 104400 CPU: 325.607, 0.00318123/step Wall: 325.607, 0.00318123/step, 4.32611 hours remaining, 233.394531 MB of memory in use. ENERGY: 104400 3983.5087 20613.7170 14483.3045 249.2730 -202907.0152 2778.8368 0.0000 0.0000 52294.8240 -108503.5511 300.5391 -160798.3751 -108138.2044 299.9462 29.1780 48.5214 764418.7894 -0.0856 -0.3585 PRESSURE: 104600 -232.062 -105.552 144.253 -105.551 -88.5099 -255.415 144.253 -255.414 211.368 GPRESSURE: 104600 -198.763 21.5786 133.532 -103.612 -63.8029 -149.834 10.6859 -190.884 228.02 PRESSAVG: 104600 3.70248 -18.8897 37.4722 -18.8897 0.136211 16.4772 37.4723 16.4771 -0.0294723 GPRESSAVG: 104600 3.79194 -20.191 37.5471 -20.1104 0.00431505 19.1578 36.5851 15.3549 0.0152432 TIMING: 104600 CPU: 326.234, 0.00313344/step Wall: 326.234, 0.00313343/step, 4.26095 hours remaining, 233.464844 MB of memory in use. ENERGY: 104600 4003.7543 20612.6230 14496.6022 244.6485 -202653.6655 2615.3399 0.0000 0.0000 52123.2680 -108557.4296 299.5531 -160680.6976 -108188.5787 300.0767 -36.4012 -11.5154 764587.7044 1.2697 1.2705 PRESSURE: 104800 -96.5712 -145.78 -48.4401 -145.779 -361.589 -6.05124 -48.4402 -6.05105 119.061 GPRESSURE: 104800 -73.0722 -221.636 -14.6649 -330.571 -302.444 -71.5938 -3.61586 0.180741 131.54 PRESSAVG: 104800 21.3605 -55.2474 33.3687 -55.2475 5.46639 -20.1342 33.3687 -20.1342 0.684799 GPRESSAVG: 104800 21.2057 -55.7737 31.9446 -52.4285 6.11988 -21.1835 36.7228 -17.7142 0.0240027 TIMING: 104800 CPU: 326.858, 0.00312117/step Wall: 326.858, 0.00312117/step, 4.2441 hours remaining, 233.464844 MB of memory in use. ENERGY: 104800 3943.2999 20384.7957 14555.1446 215.7450 -202749.5280 2731.3895 0.0000 0.0000 52447.3298 -108471.8235 301.4155 -160919.1533 -108103.8779 299.7585 -113.0330 -81.3255 765543.9061 9.1706 9.1165 PRESSURE: 105000 303.534 -195.342 -150.942 -195.342 104.569 208.625 -150.942 208.626 -449.539 GPRESSURE: 105000 204.791 -156.835 -155.941 -188.016 214.663 144.941 -118.928 155.606 -379.03 PRESSAVG: 105000 40.1208 -82.8283 2.81487 -82.8283 -4.57006 10.485 2.81486 10.4851 10.2878 GPRESSAVG: 105000 38.8505 -83.2165 4.12283 -84.6494 -5.15944 9.86588 0.53807 8.48691 11.8315 TIMING: 105000 CPU: 327.485, 0.00313074/step Wall: 327.485, 0.00313074/step, 4.25694 hours remaining, 233.464844 MB of memory in use. ENERGY: 105000 4026.0332 20560.2472 14508.3291 235.1469 -202989.7828 3043.7515 0.0000 0.0000 52372.1959 -108244.0790 300.9837 -160616.2748 -107879.0100 299.9080 -13.8122 13.4750 764327.4970 15.2795 15.1742 PRESSURE: 105200 370.88 16.0217 -195.592 16.0215 295.904 -67.4809 -195.592 -67.4814 40.5683 GPRESSURE: 105200 412.725 2.91038 -152.555 -60.2943 311.003 -89.3871 -247.698 -1.4711 64.5766 PRESSAVG: 105200 -35.9236 -45.6574 -28.9778 -45.6573 36.6081 6.82582 -28.9778 6.82575 16.7102 GPRESSAVG: 105200 -35.9095 -42.5123 -28.9046 -46.1551 36.8813 8.31302 -28.5939 9.28611 16.4481 TIMING: 105200 CPU: 328.109, 0.00312176/step Wall: 328.109, 0.00312176/step, 4.24456 hours remaining, 233.464844 MB of memory in use. ENERGY: 105200 3994.5978 20659.6147 14505.0812 235.9402 -202729.2488 2911.7475 0.0000 0.0000 51964.6796 -108457.5878 298.6417 -160422.2674 -108106.6999 299.6936 235.7838 262.7681 762801.1339 5.7982 5.8066 PRESSURE: 105400 122.442 19.6677 -110.172 19.6672 166.665 151.198 -110.172 151.197 231.703 GPRESSURE: 105400 245.822 -100.984 -115.991 2.00761 137.574 210.494 -67.5049 206.167 224.74 PRESSAVG: 105400 15.2329 1.64593 29.7941 1.64591 14.4102 44.3264 29.7941 44.3264 -9.16985 GPRESSAVG: 105400 16.2936 -1.49978 29.7168 1.75698 13.7102 41.9153 30.1291 43.1216 -8.97263 TIMING: 105400 CPU: 328.736, 0.00313643/step Wall: 328.736, 0.00313642/step, 4.26432 hours remaining, 233.464844 MB of memory in use. ENERGY: 105400 3914.4678 20475.4633 14521.6643 256.1411 -203136.3327 3116.5949 0.0000 0.0000 52331.7128 -108520.2886 300.7511 -160852.0014 -108148.9914 299.6175 173.6032 202.7121 765985.9016 6.8244 7.0104 PRESSURE: 105600 84.5617 -36.7456 32.4571 -36.7452 7.22806 188.835 32.4568 188.834 55.138 GPRESSURE: 105600 107.529 -33.5467 -10.7215 46.8264 70.9758 244.448 126.111 120.708 42.5191 PRESSAVG: 105600 -37.4615 -37.5936 11.8429 -37.5937 9.38284 47.4385 11.8429 47.4386 -15.741 GPRESSAVG: 105600 -36.8822 -36.0045 13.0579 -37.1206 9.10603 48.2698 11.5018 48.175 -16.3885 TIMING: 105600 CPU: 329.361, 0.00312377/step Wall: 329.361, 0.00312377/step, 4.24694 hours remaining, 233.464844 MB of memory in use. ENERGY: 105600 4036.7625 20598.6731 14480.6961 254.8580 -202779.1408 2974.5230 0.0000 0.0000 51923.6452 -108509.9830 298.4059 -160433.6282 -108150.9321 299.7841 48.9759 73.6747 763818.0106 -14.6066 -14.7215 PRESSURE: 105800 -123.524 -12.67 -112.186 -12.6696 -195.038 86.7469 -112.186 86.7477 -416.023 GPRESSURE: 105800 -180.723 25.1563 -176.709 -74.0784 -198.119 -11.2551 -42.9918 -37.2694 -270.276 PRESSAVG: 105800 -8.69318 -40.7373 27.8302 -40.7373 6.73441 19.226 27.8303 19.2261 20.9637 GPRESSAVG: 105800 -9.63861 -42.63 26.0995 -40.7198 6.68492 19.325 28.7501 18.0846 22.1969 TIMING: 105800 CPU: 329.983, 0.00311162/step Wall: 329.983, 0.00311162/step, 4.23025 hours remaining, 233.464844 MB of memory in use. ENERGY: 105800 4010.5961 20645.4820 14542.7741 266.7704 -203115.3091 2948.4845 0.0000 0.0000 52099.1207 -108602.0813 299.4144 -160701.2019 -108243.7125 299.7900 -244.8618 -216.3724 764522.6072 6.3350 6.4144 PRESSURE: 106000 254.165 119.856 -43.7554 119.856 -57.5556 19.347 -43.7559 19.3474 104.034 GPRESSURE: 106000 267.256 46.1919 -82.9385 178.875 33.6197 -10.8851 96.8087 121.915 78.6107 PRESSAVG: 106000 -9.65242 -3.60007 6.7588 -3.60018 17.2583 -45.6279 6.75879 -45.6278 -3.06436 GPRESSAVG: 106000 -8.92763 -3.60826 8.12147 -3.3146 17.3732 -46.5219 5.96234 -45.736 -3.67814 TIMING: 106000 CPU: 330.608, 0.00312374/step Wall: 330.608, 0.00312374/step, 4.24656 hours remaining, 233.464844 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: 106000 4029.4816 20455.0477 14540.9623 241.7147 -203231.9185 3189.9155 0.0000 0.0000 52335.3554 -108439.4414 300.7720 -160774.7968 -108076.7024 299.4063 100.2142 126.4954 764564.9686 1.5139 1.5892 PRESSURE: 106200 92.1335 -116.846 -50.2514 -116.846 130.765 142.939 -50.251 142.938 -150.872 GPRESSURE: 106200 174.035 62.7638 -122.177 -105.174 97.0887 134.179 -19.2924 135.741 -116.194 PRESSAVG: 106200 7.35758 -46.7051 12.0941 -46.705 -10.4192 -25.8703 12.0941 -25.8702 -9.98419 GPRESSAVG: 106200 7.08336 -43.0998 11.8244 -47.8245 -10.9134 -26.7553 11.2906 -23.8816 -9.37011 TIMING: 106200 CPU: 331.229, 0.00310521/step Wall: 331.229, 0.00310521/step, 4.22118 hours remaining, 233.464844 MB of memory in use. ENERGY: 106200 3990.5088 20482.9743 14536.8229 247.2956 -202938.1264 2994.2535 0.0000 0.0000 52091.9602 -108594.3111 299.3732 -160686.2714 -108224.5590 299.4662 24.0088 51.6431 764927.8879 -4.3486 -4.4001 PRESSURE: 106400 43.6758 53.1999 197.726 53.1995 -16.4601 63.0239 197.725 63.0234 403.194 GPRESSURE: 106400 -13.4323 80.3292 246.436 20.685 118.902 50.1708 146.177 76.177 406.484 PRESSAVG: 106400 2.20751 -24.4828 17.5603 -24.4828 16.3971 -2.31182 17.5602 -2.31184 3.91851 GPRESSAVG: 106400 2.21703 -26.6548 18.3984 -22.8286 17.3862 -1.51033 18.2916 -3.54958 2.70814 TIMING: 106400 CPU: 331.853, 0.0031196/step Wall: 331.853, 0.0031196/step, 4.24058 hours remaining, 233.464844 MB of memory in use. ENERGY: 106400 3966.1659 20594.8355 14518.8790 245.7768 -202778.1736 2735.4721 0.0000 0.0000 52141.6984 -108575.3460 299.6591 -160717.0444 -108209.9524 299.4807 143.4699 170.6513 765382.9738 7.5077 7.4371 PRESSURE: 106600 113.53 -97.693 185.813 -97.693 145.559 75.9762 185.813 75.9764 -184.815 GPRESSURE: 106600 190.377 -95.6543 77.3863 -47.2821 80.6592 75.4101 118.643 -16.4426 -102.549 PRESSAVG: 106600 -9.37793 20.7146 53.0059 20.7146 -29.5791 25.5815 53.0059 25.5814 7.99571 GPRESSAVG: 106600 -10.5544 19.1694 52.7087 22.8252 -29.1456 24.0497 54.029 24.307 8.44915 TIMING: 106600 CPU: 332.479, 0.00312974/step Wall: 332.479, 0.00312974/step, 4.25419 hours remaining, 233.464844 MB of memory in use. ENERGY: 106600 3961.5455 20727.2879 14537.9200 252.8591 -203362.9398 3103.1778 0.0000 0.0000 52107.5380 -108672.6116 299.4627 -160780.1496 -108299.2521 299.5441 24.7581 56.1624 764720.4137 -10.3204 -10.4169 PRESSURE: 106800 108.567 60.5171 2.42382 60.5167 73.3799 57.8031 2.42422 57.8023 37.5628 GPRESSURE: 106800 81.8858 40.9313 28.5173 108.708 157.003 119.856 40.7261 103.837 80.4417 PRESSAVG: 106800 -29.6151 -31.675 -19.9621 -31.675 21.9201 9.47283 -19.9622 9.4728 0.341943 GPRESSAVG: 106800 -29.5866 -30.6901 -21.0952 -33.8002 22.5727 11.3218 -21.2937 9.71378 -0.507317 TIMING: 106800 CPU: 333.103, 0.0031207/step Wall: 333.103, 0.0031207/step, 4.24173 hours remaining, 233.464844 MB of memory in use. ENERGY: 106800 3941.6220 20459.6250 14535.3172 246.6671 -202834.2348 2806.7038 0.0000 0.0000 52135.6919 -108708.6078 299.6245 -160844.2997 -108337.8198 299.6675 73.1699 106.4434 765204.7177 -2.4510 -2.5071 PRESSURE: 107000 -320.185 14.6126 -65.6548 14.6124 -289.515 -72.7777 -65.6552 -72.7769 78.9258 GPRESSURE: 107000 -266.465 42.8415 7.22357 36.8304 -280.056 -110.444 -106.094 -36.6818 105.368 PRESSAVG: 107000 19.6379 -38.9948 -30.8432 -38.9948 -33.0968 -17.9102 -30.8431 -17.9102 -7.35441 GPRESSAVG: 107000 18.8681 -39.7918 -30.975 -37.8603 -34.4482 -19.3432 -31.2505 -15.8916 -5.65325 TIMING: 107000 CPU: 333.724, 0.00310405/step Wall: 333.724, 0.00310405/step, 4.21892 hours remaining, 233.464844 MB of memory in use. ENERGY: 107000 3985.4126 20662.8788 14561.5452 258.6752 -202803.6253 2601.7565 0.0000 0.0000 52033.0670 -108700.2900 299.0348 -160733.3570 -108339.1492 299.2633 -176.9247 -147.0510 764019.2241 -6.9378 -7.0778 PRESSURE: 107200 -184.414 -26.7397 -78.8523 -26.7399 293.325 -214.335 -78.8521 -214.336 403.349 GPRESSURE: 107200 -57.7291 -70.671 -57.7867 -32.4998 248.608 -179.985 38.592 -167.585 408.617 PRESSAVG: 107200 -110.843 -65.6216 28.3879 -65.6216 92.7996 -2.34432 28.3879 -2.34434 -29.366 GPRESSAVG: 107200 -108.23 -64.1329 29.428 -67.0967 91.8392 -3.52887 29.7409 -1.86678 -30.7318 TIMING: 107200 CPU: 334.348, 0.00312138/step Wall: 334.348, 0.00312138/step, 4.2423 hours remaining, 233.464844 MB of memory in use. ENERGY: 107200 3955.6005 20673.0758 14538.0537 248.7434 -202871.6784 3053.4572 0.0000 0.0000 51888.2635 -108514.4844 298.2026 -160402.7479 -108169.7904 298.8317 170.7534 199.8318 764126.0432 -15.8030 -15.7077 PRESSURE: 107400 -252.717 -56.9178 -20.0735 -56.9175 278.754 -113.35 -20.0741 -113.35 113.869 GPRESSURE: 107400 -182.377 6.74893 -55.4982 24.5775 253.024 -91.3973 97.1243 -39.822 153.696 PRESSAVG: 107400 -67.7836 30.2179 44.7573 30.2179 74.9324 14.6137 44.7573 14.6136 12.5289 GPRESSAVG: 107400 -69.0552 29.8727 42.8958 30.6797 76.5617 17.0262 44.0529 11.6954 12.6455 TIMING: 107400 CPU: 334.971, 0.00311233/step Wall: 334.971, 0.00311233/step, 4.22984 hours remaining, 233.464844 MB of memory in use. ENERGY: 107400 3971.7327 20614.0857 14558.7573 232.3125 -202467.1451 2751.9091 0.0000 0.0000 51937.2177 -108401.1300 298.4839 -160338.3477 -108045.3289 299.6073 46.6355 74.7809 764513.4881 6.5592 6.7173 PRESSURE: 107600 -289.564 -70.1867 33.7414 -70.1862 167.042 -49.2905 33.7419 -49.2905 212.542 GPRESSURE: 107600 -186.382 29.2442 73.2036 -107.379 165.966 -5.7 52.5774 -99.5276 188.333 PRESSAVG: 107600 -60.5794 -49.1679 31.1475 -49.1679 54.082 -24.2751 31.1475 -24.275 9.18961 GPRESSAVG: 107600 -60.7672 -48.3261 32.8449 -49.6886 54.3289 -25.029 32.2571 -21.5301 9.50698 TIMING: 107600 CPU: 335.592, 0.00310863/step Wall: 335.592, 0.00310863/step, 4.22463 hours remaining, 233.464844 MB of memory in use. ENERGY: 107600 4008.7484 20622.2118 14526.3527 241.2387 -202895.2434 3032.2043 0.0000 0.0000 51998.1229 -108466.3647 298.8339 -160464.4876 -108111.6944 299.4817 30.0067 55.9725 765662.6940 0.8974 1.0229 PRESSURE: 107800 -545.548 -79.1011 38.3372 -79.1023 -174.645 -219.736 38.3373 -219.736 -332.404 GPRESSURE: 107800 -481.623 -59.0079 96.7894 -65.5782 -214.418 -178.18 -73.0512 -270.976 -279.388 PRESSAVG: 107800 12.6675 2.25084 32.9283 2.25087 11.7122 29.1542 32.9283 29.1541 -5.52946 GPRESSAVG: 107800 13.1705 0.249581 31.7432 3.7626 12.6394 30.3723 31.4721 28.1669 -6.33831 TIMING: 107800 CPU: 336.213, 0.00310516/step Wall: 336.213, 0.00310516/step, 4.21974 hours remaining, 233.464844 MB of memory in use. ENERGY: 107800 3939.6752 20681.8479 14542.8642 245.0800 -203315.6676 2994.3870 0.0000 0.0000 52156.7795 -108755.0338 299.7457 -160911.8134 -108389.3437 299.8022 -350.8656 -325.1428 765836.4400 6.2834 6.4905 PRESSURE: 108000 326.184 37.2817 92.7523 37.2823 -193.471 173.826 92.7512 173.826 70.1122 GPRESSURE: 108000 308.77 122.535 75.3175 65.6982 -152.717 233.918 122.247 105.122 117.719 PRESSAVG: 108000 67.2253 -24.5825 44.5791 -24.5824 -31.9954 52.2814 44.5791 52.2814 30.2924 GPRESSAVG: 108000 68.035 -24.3211 44.7874 -26.0974 -33.9114 50.9509 45.0386 52.2824 31.7306 TIMING: 108000 CPU: 336.837, 0.00312062/step Wall: 336.837, 0.00312062/step, 4.24057 hours remaining, 233.464844 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: 108000 3967.1508 20656.6255 14562.5197 254.5176 -203884.0063 3183.3236 0.0000 0.0000 52370.5019 -108889.3671 300.9740 -161259.8690 -108529.5152 299.3894 67.6083 91.2573 763655.3210 21.8408 21.9514 PRESSURE: 108200 24.9394 110.152 -23.8508 110.152 160.568 101.437 -23.8506 101.437 232.596 GPRESSURE: 108200 26.9707 39.6652 -0.549775 72.4184 219.612 16.3917 7.06085 91.671 255.304 PRESSAVG: 108200 8.60282 15.7063 35.0134 15.7063 -49.4087 4.3469 35.0134 4.34694 -1.35412 GPRESSAVG: 108200 7.936 14.0626 37.2702 16.2011 -48.0913 2.94224 34.4711 3.89879 -2.19146 TIMING: 108200 CPU: 337.463, 0.0031261/step Wall: 337.463, 0.0031261/step, 4.24784 hours remaining, 233.464844 MB of memory in use. ENERGY: 108200 3931.9582 20708.2770 14582.1283 257.1791 -203697.7231 3244.7166 0.0000 0.0000 51888.6736 -109084.7904 298.2049 -160973.4640 -108724.2520 299.0346 139.3678 167.2955 763938.5328 -14.0533 -14.1156 LDB: ============= START OF LOAD BALANCING ============== 349.942 LDB: ============== END OF LOAD BALANCING =============== 349.942 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 349.944 LDB: ============= START OF LOAD BALANCING ============== 350.256 LDB: Largest compute 7052 load 0.029140 is 15.0% of average load 0.194565 LDB: Average compute 0.004381 is 2.3% of average load 0.194565 LDB: TIME 350.259 LOAD: AVG 0.194565 MAX 0.215156 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.965 MB LDB: TIME 350.26 LOAD: AVG 0.194565 MAX 0.215156 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.164 MB LDB: TIME 350.26 LOAD: AVG 0.194565 MAX 0.215156 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.164 MB LDB: ============== END OF LOAD BALANCING =============== 350.262 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 350.267 PRESSURE: 108400 356.838 172.25 -214.891 172.25 13.2504 137 -214.891 137.001 51.5103 GPRESSURE: 108400 368.806 117.694 -185.378 -5.04557 -9.82975 121.631 -218.535 90.4972 152.376 PRESSAVG: 108400 -38.5223 -7.96966 -55.0046 -7.96962 43.262 33.9203 -55.0046 33.9202 -12.7332 GPRESSAVG: 108400 -38.0552 -6.72424 -55.6766 -9.52222 42.8168 35.3907 -54.2927 32.711 -12.3936 TIMING: 108400 CPU: 338.101, 0.0031905/step Wall: 338.101, 0.0031905/step, 4.33518 hours remaining, 232.421875 MB of memory in use. ENERGY: 108400 3950.9459 20496.2660 14566.5919 228.3934 -203877.7921 3409.4684 0.0000 0.0000 52125.8380 -109100.2886 299.5679 -161226.1266 -108735.9994 298.2969 140.5328 170.4506 765181.2736 -2.6645 -2.5440 PRESSURE: 108600 468.889 16.8543 -186.121 16.8548 227.521 -76.8284 -186.121 -76.8274 629.199 GPRESSURE: 108600 497.09 91.3008 -224.485 -106.975 257.845 -38.455 -38.1325 -211.117 639.648 PRESSAVG: 108600 -0.495205 2.75764 -16.3108 2.75763 6.1302 -0.411089 -16.3108 -0.411154 13.371 GPRESSAVG: 108600 -1.08289 2.33495 -18.066 3.07568 6.35271 -1.5365 -14.7963 0.219503 14.0358 TIMING: 108600 CPU: 338.725, 0.00312205/step Wall: 338.725, 0.00312205/step, 4.24199 hours remaining, 232.625000 MB of memory in use. ENERGY: 108600 4015.3354 20478.1374 14602.4383 285.1463 -204141.0476 3489.0318 0.0000 0.0000 52025.0666 -109245.8918 298.9888 -161270.9584 -108875.1667 298.0446 441.8696 464.8610 764688.1264 6.3353 6.4352 PRESSURE: 108800 -161.991 -23.9179 76.9367 -23.9179 -212.603 -162.264 76.936 -162.264 -27.1646 GPRESSURE: 108800 -168.201 -4.87501 38.5127 -27.1539 -77.8364 -50.2994 52.4649 -234.605 -90.7854 PRESSAVG: 108800 -16.8013 -29.6355 17.4271 -29.6354 35.1331 -32.5072 17.427 -32.5072 22.652 GPRESSAVG: 108800 -15.7484 -27.6736 18.6471 -28.0566 34.9359 -30.7874 15.2261 -33.1738 21.854 TIMING: 108800 CPU: 339.348, 0.00311197/step Wall: 339.348, 0.00311197/step, 4.22813 hours remaining, 232.625000 MB of memory in use. ENERGY: 108800 3988.1767 20570.2041 14597.7614 278.1379 -203832.1593 3284.2960 0.0000 0.0000 51857.5202 -109256.0631 298.0259 -161113.5832 -108886.3170 298.3377 -133.9196 -112.2742 764378.1862 13.6613 13.6805 PRESSURE: 109000 -63.4652 83.3894 -115.153 83.3889 433.387 147.85 -115.152 147.851 27.1151 GPRESSURE: 109000 14.0418 119.387 -20.2002 2.45327 461.888 133.779 -127.526 51.6771 10.305 PRESSAVG: 109000 -43.6084 -40.6915 -20.4123 -40.6915 34.9582 -3.16739 -20.4122 -3.16736 1.4449 GPRESSAVG: 109000 -44.5694 -41.8721 -19.1628 -41.5221 35.8985 -2.96854 -18.9296 -2.49193 1.70201 TIMING: 109000 CPU: 339.971, 0.00311926/step Wall: 339.971, 0.00311926/step, 4.23786 hours remaining, 232.625000 MB of memory in use. ENERGY: 109000 3979.6755 20415.9001 14553.1023 245.9857 -203607.8356 3338.8433 0.0000 0.0000 52001.8282 -109072.5004 298.8552 -161074.3286 -108696.4415 298.6545 132.3457 162.0782 763056.6250 -2.4018 -2.3230 PRESSURE: 109200 176.692 50.6095 52.2211 50.6097 -86.0049 -170.451 52.2209 -170.453 -300.126 GPRESSURE: 109200 181.959 84.0176 49.3856 116.027 -84.58 -131.386 107.431 -109.409 -229.008 PRESSAVG: 109200 -37.402 -7.2687 27.4105 -7.26879 20.3957 36.4213 27.4106 36.4213 -6.20194 GPRESSAVG: 109200 -37.5167 -8.44072 24.8355 -5.50515 18.3342 35.2469 27.001 36.9557 -4.48114 TIMING: 109200 CPU: 340.596, 0.00312157/step Wall: 340.596, 0.00312157/step, 4.24083 hours remaining, 232.625000 MB of memory in use. ENERGY: 109200 3958.2478 20566.7178 14630.2949 245.5260 -203283.1254 2971.8433 0.0000 0.0000 51925.3157 -108985.1799 298.4155 -160910.4955 -108621.1637 298.7066 -69.8130 -43.8762 763221.2936 -7.7361 -7.8879 PRESSURE: 109400 -175.614 -5.81608 -121.65 -5.81673 -152.832 -160.837 -121.65 -160.837 -44.2824 GPRESSURE: 109400 -156.732 -51.1993 -10.7136 -98.0553 -49.1038 -196.454 -213.568 -99.8117 -90.5256 PRESSAVG: 109400 -20.8597 -68.747 35.201 -68.747 68.3152 1.4329 35.201 1.4329 -9.11135 GPRESSAVG: 109400 -19.7844 -69.5794 35.7093 -70.8013 68.5302 2.08614 34.1424 1.82715 -10.5112 TIMING: 109400 CPU: 341.223, 0.00313755/step Wall: 341.223, 0.00313755/step, 4.26236 hours remaining, 232.625000 MB of memory in use. ENERGY: 109400 4013.1810 20692.1193 14605.6070 245.7567 -203351.5266 2795.6443 0.0000 0.0000 52092.1654 -108907.0528 299.3744 -160999.2182 -108553.7207 299.7768 -124.2428 -98.7870 762685.8205 12.7814 12.7449 PRESSURE: 109600 -67.721 247.838 -38.3492 247.837 100.984 -120.025 -38.349 -120.025 180.543 GPRESSURE: 109600 68.9797 181.505 -91.2901 193.384 36.668 -50.0366 84.2419 -221.406 189.191 PRESSAVG: 109600 30.6085 13.0481 32.2739 13.0482 18.7172 -5.52283 32.2739 -5.52292 3.25876 GPRESSAVG: 109600 30.5011 15.6511 33.6707 12.1308 18.9929 -6.42954 32.2345 -5.01949 2.41659 TIMING: 109600 CPU: 341.85, 0.00313143/step Wall: 341.85, 0.00313143/step, 4.25387 hours remaining, 232.625000 MB of memory in use. ENERGY: 109600 4000.4470 20505.0431 14483.2978 261.3696 -203815.8708 3401.6275 0.0000 0.0000 52032.3469 -109131.7389 299.0306 -161164.0858 -108757.4702 299.2037 71.2685 98.2794 763469.2652 17.5282 17.3035 PRESSURE: 109800 94.7916 -50.1534 93.5228 -50.1534 -122.527 244.055 93.5236 244.055 -119.599 GPRESSURE: 109800 121.922 -123.179 80.9941 53.5066 -116.089 231.993 196 120.833 -72.4639 PRESSAVG: 109800 -46.3184 12.0145 54.5876 12.0144 -23.0601 -8.5804 54.5876 -8.58041 0.922123 GPRESSAVG: 109800 -46.4893 11.6877 52.0979 13.1874 -23.1551 -7.65293 55.4069 -9.83865 1.6066 TIMING: 109800 CPU: 342.474, 0.00312115/step Wall: 342.474, 0.00312115/step, 4.23974 hours remaining, 232.625000 MB of memory in use. ENERGY: 109800 3915.6923 20562.8088 14534.2783 249.1161 -203453.1333 3060.6171 0.0000 0.0000 52019.9554 -109110.6654 298.9594 -161130.6208 -108753.3019 298.6012 -49.1118 -22.2104 764942.2459 -22.8188 -22.6793 PRESSURE: 110000 14.2481 -224.847 26.5025 -224.847 190.202 56.3739 26.5034 56.3748 309.258 GPRESSURE: 110000 46.8725 -189.707 -44.3482 -233.827 242.673 82.836 112.76 -6.68242 299.841 PRESSAVG: 110000 -13.3879 12.7004 24.2938 12.7004 -4.28336 48.2719 24.2938 48.2719 11.8905 GPRESSAVG: 110000 -13.2486 11.8966 24.9334 11.9409 -4.12211 48.8486 24.788 46.0875 11.1493 TIMING: 110000 CPU: 343.097, 0.00311488/step Wall: 343.097, 0.00311488/step, 4.23105 hours remaining, 232.625000 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: 110000 3975.4515 20529.9671 14570.1585 247.1799 -203796.3356 3284.5049 0.0000 0.0000 52071.4273 -109117.6463 299.2552 -161189.0737 -108749.6449 298.6434 171.2359 196.4622 764207.8770 -1.9269 -2.0738 PRESSURE: 110200 158.343 76.3683 -40.6125 76.3678 -208.925 148.088 -40.6124 148.088 -154.648 GPRESSURE: 110200 154.302 5.58913 73.0816 128.706 -123.808 24.6058 -60.6086 106.332 -124.84 PRESSAVG: 110200 16.3273 -9.04608 -12.2545 -9.04608 59.0773 45.573 -12.2545 45.573 -10.1183 GPRESSAVG: 110200 15.3003 -8.35914 -10.1189 -8.01357 60.0356 43.3714 -14.0082 49.5677 -9.76384 TIMING: 110200 CPU: 343.716, 0.00309736/step Wall: 343.716, 0.00309736/step, 4.20708 hours remaining, 232.625000 MB of memory in use. ENERGY: 110200 4010.3566 20533.9358 14492.7961 249.6531 -203534.7995 2892.5284 0.0000 0.0000 52345.4232 -109010.1062 300.8299 -161355.5294 -108637.9845 298.8354 -68.4098 -31.4484 762553.3931 21.7621 21.8574 PRESSURE: 110400 13.3565 -215.285 0.327693 -215.285 12.2905 152.092 0.328128 152.093 -122.651 GPRESSURE: 110400 12.0636 -112.925 8.71673 -129.96 77.769 215.446 -28.3642 172.28 -120.964 PRESSAVG: 110400 -4.14739 5.54406 25.6378 5.54405 0.90302 -26.0803 25.6378 -26.0803 16.7667 GPRESSAVG: 110400 -4.78574 6.22615 25.0284 6.17052 0.656107 -24.5595 24.8751 -27.455 17.2872 TIMING: 110400 CPU: 344.34, 0.00311939/step Wall: 344.34, 0.00311939/step, 4.23683 hours remaining, 232.625000 MB of memory in use. ENERGY: 110400 4038.9236 20593.1699 14465.1131 250.7082 -203620.9089 3205.6382 0.0000 0.0000 52067.9151 -108999.4408 299.2350 -161067.3559 -108645.5489 298.6540 -32.3347 -10.3771 761920.4563 4.5074 4.3859 PRESSURE: 110600 146.481 149.744 -129.781 149.744 42.2762 -68.0372 -129.781 -68.037 76.0425 GPRESSURE: 110600 140.497 80.0527 -171.15 48.7508 90.4794 -79.8226 -41.1395 -94.5441 118.899 PRESSAVG: 110600 10.6715 -30.5319 -30.726 -30.5318 -24.6127 19.5392 -30.726 19.5393 21.7956 GPRESSAVG: 110600 11.4846 -30.1199 -32.612 -31.7137 -24.7142 20.6943 -27.4795 17.1671 20.9103 TIMING: 110600 CPU: 344.962, 0.00310691/step Wall: 344.962, 0.00310691/step, 4.2197 hours remaining, 232.625000 MB of memory in use. ENERGY: 110600 3957.6193 20567.7897 14577.6598 267.3867 -203428.4536 3081.1661 0.0000 0.0000 51931.9791 -109044.8529 298.4538 -160976.8320 -108675.6406 298.8911 88.2667 116.6250 762994.8241 2.6182 2.5602 PRESSURE: 110800 -247.217 -45.7046 61.9197 -45.7051 -129.352 178.304 61.919 178.306 5.46738 GPRESSURE: 110800 -328.043 -213.396 77.9194 -148.867 24.3689 164.615 -13.6156 109.298 1.98642 PRESSAVG: 110800 21.252 -6.85489 27.5665 -6.85494 -36.2302 37.3775 27.5665 37.3774 29.5114 GPRESSAVG: 110800 21.5921 -7.7914 28.9032 -7.46342 -36.1063 35.385 24.9114 41.9988 29.1081 TIMING: 110800 CPU: 345.584, 0.00311051/step Wall: 345.584, 0.00311051/step, 4.22442 hours remaining, 232.625000 MB of memory in use. ENERGY: 110800 4039.2386 20622.9234 14561.7565 255.5312 -203322.5854 3040.8280 0.0000 0.0000 51943.5954 -108858.7124 298.5206 -160802.3078 -108499.7202 299.1881 -123.7003 -100.5626 763940.4753 4.8444 4.8646 PRESSURE: 111000 -21.6057 113.472 79.8564 113.471 -14.288 214.466 79.8571 214.465 319.137 GPRESSURE: 111000 75.1961 56.7695 29.6162 40.6284 46.6173 168.962 -42.7388 124.862 234.196 PRESSAVG: 111000 3.64396 9.66539 20.6987 9.66539 9.66709 22.7531 20.6987 22.7531 21.778 GPRESSAVG: 111000 3.02467 10.6037 19.649 10.6386 10.4296 22.3446 20.2541 20.6542 21.8999 TIMING: 111000 CPU: 346.208, 0.00312428/step Wall: 346.208, 0.00312427/step, 4.24294 hours remaining, 232.625000 MB of memory in use. ENERGY: 111000 3939.1523 20558.2029 14529.8595 229.1815 -203483.3344 3114.4874 0.0000 0.0000 52058.7305 -109053.7204 299.1822 -161112.4509 -108693.9977 298.9762 94.4144 118.6699 763277.5786 11.6963 11.7847 PRESSURE: 111200 88.8757 83.6647 -135.16 83.6649 270.783 -47.3835 -135.161 -47.3838 203.314 GPRESSURE: 111200 156.684 82.1127 -126.312 24.2096 245.03 -126.271 -111.372 163.598 266.016 PRESSAVG: 111200 -21.3961 -16.5242 -47.5794 -16.5242 29.482 -0.32472 -47.5794 -0.324683 -4.6268 GPRESSAVG: 111200 -21.0959 -16.4374 -47.0087 -15.5101 29.3956 0.194076 -43.7321 -0.827492 -5.06933 TIMING: 111200 CPU: 346.832, 0.00311636/step Wall: 346.832, 0.00311636/step, 4.23202 hours remaining, 232.625000 MB of memory in use. ENERGY: 111200 4021.9268 20489.1620 14505.2499 233.0894 -202918.9965 2901.6993 0.0000 0.0000 51956.9574 -108810.9117 298.5973 -160767.8691 -108443.6302 298.6370 187.6576 222.5766 766363.0768 1.1530 1.0768 PRESSURE: 111400 259.078 -282.643 81.2705 -282.643 529.247 -12.3043 81.2702 -12.3046 -200.503 GPRESSURE: 111400 369.234 -179.965 -22.4441 -222.343 495.745 35.0624 15.8877 -85.2316 -187.397 PRESSAVG: 111400 0.932243 19.9515 -33.8682 19.9515 3.47914 6.53815 -33.8681 6.53818 4.13519 GPRESSAVG: 111400 1.08698 20.4793 -32.4564 21.0441 3.01642 6.34003 -37.7094 8.25519 4.35856 TIMING: 111400 CPU: 347.461, 0.00314744/step Wall: 347.461, 0.00314744/step, 4.27405 hours remaining, 232.625000 MB of memory in use. ENERGY: 111400 3996.6954 20633.4501 14441.5322 236.6603 -203465.9387 3182.9134 0.0000 0.0000 52073.9591 -108900.7282 299.2698 -160974.6873 -108547.2011 299.1470 195.9409 225.8606 765567.2402 2.8489 2.8207 PRESSURE: 111600 -118 -38.7332 -157.277 -38.733 -133.212 70.8059 -157.276 70.8059 44.816 GPRESSURE: 111600 -7.01619 -14.7944 -104.106 -26.1681 -149.098 146.638 -96.1601 27.5995 19.782 PRESSAVG: 111600 -34.9442 14.0774 17.1903 14.0773 22.0605 10.3861 17.1903 10.3861 -7.56363 GPRESSAVG: 111600 -34.2441 13.36 17.523 11.8944 22.0735 9.5394 18.8124 9.0484 -7.96979 TIMING: 111600 CPU: 348.085, 0.003119/step Wall: 348.085, 0.003119/step, 4.23525 hours remaining, 232.625000 MB of memory in use. ENERGY: 111600 4104.6431 20510.7063 14568.9131 271.1537 -203345.4552 3145.1601 0.0000 0.0000 52158.0881 -108586.7908 299.7532 -160744.8788 -108235.1130 299.2725 -68.7985 -45.4442 765041.9197 -6.8158 -6.7135 PRESSURE: 111800 -161.713 -73.5522 91.6479 -73.5511 -112.397 -131.886 91.6479 -131.887 -393.722 GPRESSURE: 111800 -181.352 4.60361 17.2044 -99.6554 -84.4461 -55.5233 175.055 -121.158 -331.024 PRESSAVG: 111800 -38.6643 -7.80113 -7.80914 -7.80114 3.99684 -1.28527 -7.80913 -1.28525 29.0351 GPRESSAVG: 111800 -39.8304 -6.76564 -9.43787 -8.03511 3.96886 0.79248 -7.33492 -2.00904 29.558 TIMING: 111800 CPU: 348.709, 0.00312158/step Wall: 348.709, 0.00312158/step, 4.23858 hours remaining, 232.593750 MB of memory in use. ENERGY: 111800 4097.0415 20649.1998 14491.5717 247.8528 -202804.6721 2779.0032 0.0000 0.0000 51872.4811 -108667.5220 298.1119 -160540.0031 -108301.0166 299.5199 -222.6107 -198.9407 765882.4123 -1.8774 -2.1012 PRESSURE: 112000 -60.1299 -82.6831 99.8224 -82.6826 -30.7636 173.069 99.8225 173.068 111.826 GPRESSURE: 112000 4.68565 -173.227 103.998 59.0538 28.5548 133.164 142.832 118.916 78.4726 PRESSAVG: 112000 -37.248 15.784 -7.23466 15.784 41.4372 21.024 -7.23468 21.0241 -2.85499 GPRESSAVG: 112000 -37.0278 12.206 -6.6484 17.1271 41.3149 20.2819 -7.86137 20.1032 -3.53091 TIMING: 112000 CPU: 349.334, 0.00312453/step Wall: 349.334, 0.00312453/step, 4.24242 hours remaining, 232.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 112000 4054.7138 20465.3804 14454.0946 243.4127 -203133.7451 3054.3394 0.0000 0.0000 52243.2743 -108618.5299 300.2428 -160861.8042 -108263.5168 298.8598 6.9776 37.2377 766252.4846 0.4447 0.2520 PRESSURE: 112200 96.4119 -79.9623 -67.2979 -79.9631 -341.827 168.334 -67.2978 168.334 57.9448 GPRESSURE: 112200 31.3764 -18.5683 11.7181 -18.242 -209.991 190.229 -143.756 215.599 75.9083 PRESSAVG: 112200 32.1078 36.6589 16.2903 36.6589 -26.6926 -19.0629 16.2903 -19.0629 -20.8023 GPRESSAVG: 112200 32.2343 37.1171 16.0584 36.7636 -26.7993 -17.6157 17.2142 -17.0469 -21.171 TIMING: 112200 CPU: 349.957, 0.00311589/step Wall: 349.957, 0.00311589/step, 4.23051 hours remaining, 232.593750 MB of memory in use. ENERGY: 112200 3994.3209 20622.8614 14523.1174 231.3858 -202906.8334 3035.8670 0.0000 0.0000 51847.1093 -108652.1717 297.9660 -160499.2810 -108298.9388 298.9529 -62.4900 -34.2355 766070.4720 -5.1290 -5.2454 LDB: ============= START OF LOAD BALANCING ============== 362.435 LDB: ============== END OF LOAD BALANCING =============== 362.435 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 362.437 LDB: ============= START OF LOAD BALANCING ============== 362.749 LDB: Largest compute 7052 load 0.030259 is 15.5% of average load 0.194677 LDB: Average compute 0.004378 is 2.2% of average load 0.194677 LDB: TIME 362.753 LOAD: AVG 0.194677 MAX 0.218549 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.645 MB LDB: TIME 362.753 LOAD: AVG 0.194677 MAX 0.218549 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.645 MB LDB: TIME 362.753 LOAD: AVG 0.194677 MAX 0.215709 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.645 MB LDB: ============== END OF LOAD BALANCING =============== 362.755 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 362.76 PRESSURE: 112400 -99.1531 -56.1694 -59.7158 -56.1689 222.249 -3.94906 -59.7164 -3.94947 393.698 GPRESSURE: 112400 -13.6927 -5.36666 -127.064 -145.9 261.037 -64.1224 -56.6305 -101.85 355.711 PRESSAVG: 112400 37.4745 17.6691 22.8289 17.6691 -68.6308 27.6543 22.8289 27.6542 16.1574 GPRESSAVG: 112400 37.8229 18.9893 23.3459 16.2426 -70.3489 25.3455 22.0272 26.637 17.1716 TIMING: 112400 CPU: 350.594, 0.00318199/step Wall: 350.594, 0.003182/step, 4.32009 hours remaining, 233.070312 MB of memory in use. ENERGY: 112400 3966.0588 20635.4640 14537.6813 244.8822 -203072.1703 3097.4162 0.0000 0.0000 52068.8892 -108521.7786 299.2406 -160590.6678 -108170.8269 299.0805 172.2646 201.0185 764858.6587 -4.9996 -5.1181 PRESSURE: 112600 165.278 -61.7972 -187.823 -61.7969 251.28 102.964 -187.823 102.964 288.936 GPRESSURE: 112600 235.236 -203.016 -116.852 -131.378 220.731 28.4213 -143.758 -13.1499 345.847 PRESSAVG: 112600 8.21405 -36.6835 -49.3637 -36.6835 -43.4422 -14.9543 -49.3638 -14.9542 -25.6658 GPRESSAVG: 112600 7.692 -37.6224 -49.938 -36.2563 -42.4838 -14.1085 -46.9008 -15.072 -25.2492 TIMING: 112600 CPU: 351.217, 0.00311724/step Wall: 351.217, 0.00311724/step, 4.232 hours remaining, 233.363281 MB of memory in use. ENERGY: 112600 4004.8381 20484.2394 14599.2108 250.4664 -202823.6234 3061.9392 0.0000 0.0000 52084.2602 -108338.6691 299.3290 -160422.9294 -107985.1168 299.6752 235.1647 267.2716 763939.3631 -20.2980 -20.0137 PRESSURE: 112800 2.49333 28.6759 -85.714 28.6758 316.496 89.0154 -85.7145 89.0148 -325.503 GPRESSURE: 112800 -61.4851 50.333 -168.94 51.7213 345.991 170.848 -15.1471 -86.8596 -224.032 PRESSAVG: 112800 10.7772 -0.182948 -18.2074 -0.182884 -1.56102 -1.16907 -18.2074 -1.16905 -17.9877 GPRESSAVG: 112800 9.59746 1.67588 -20.0624 -1.32394 -0.953602 -1.54826 -16.9753 -0.218904 -18.2311 TIMING: 112800 CPU: 351.837, 0.00309762/step Wall: 351.837, 0.00309762/step, 4.20519 hours remaining, 233.363281 MB of memory in use. ENERGY: 112800 4039.2215 20488.8876 14526.7533 241.2703 -203046.9435 3162.5159 0.0000 0.0000 52020.7716 -108567.5233 298.9641 -160588.2949 -108206.7452 299.4021 -2.1712 20.1582 766568.8118 -2.9238 -3.1957 PRESSURE: 113000 9.56403 -136.147 -19.8631 -136.147 357.756 90.0198 -19.8631 90.0193 326.21 GPRESSURE: 113000 95.979 -86.7255 -28.7763 -36.1065 282.648 80.9877 -17.6619 99.838 391.327 PRESSAVG: 113000 -31.9973 6.49001 55.4445 6.49002 49.1937 -40.043 55.4444 -40.043 10.9391 GPRESSAVG: 113000 -30.1122 6.80408 57.4561 9.64908 48.1839 -39.7912 53.5071 -40.085 10.292 TIMING: 113000 CPU: 352.455, 0.00309063/step Wall: 352.455, 0.00309063/step, 4.19553 hours remaining, 233.433594 MB of memory in use. ENERGY: 113000 3982.1970 20523.5009 14546.2015 243.0209 -202902.8566 3037.6868 0.0000 0.0000 51988.9722 -108581.2774 298.7813 -160570.2496 -108220.0916 299.1944 231.1767 256.6512 765991.0967 9.3785 9.4546 PRESSURE: 113200 -32.2452 -109.788 92.0151 -109.789 545.321 -203.75 92.0144 -203.75 -331.485 GPRESSURE: 113200 75.2353 -48.2563 177.944 -203.399 435.588 -210.252 146.217 -113.148 -268.67 PRESSAVG: 113200 -22.3484 -3.3412 20.7359 -3.34126 36.0256 3.27685 20.736 3.27683 -23.5513 GPRESSAVG: 113200 -23.5398 -3.9793 18.719 -5.99069 35.8314 2.63056 21.9004 3.9562 -22.1976 TIMING: 113200 CPU: 353.074, 0.00309302/step Wall: 353.074, 0.00309302/step, 4.1986 hours remaining, 233.433594 MB of memory in use. ENERGY: 113200 3941.6731 20583.3010 14558.9350 225.0295 -202883.7336 2958.2500 0.0000 0.0000 52044.9003 -108571.6447 299.1028 -160616.5450 -108205.9632 299.1153 60.5300 80.7179 764348.2165 -3.2914 -3.3020 PRESSURE: 113400 139.88 -12.0066 29.7519 -12.0068 -0.638104 -167.895 29.7522 -167.894 605.155 GPRESSURE: 113400 185.292 18.6607 69.7723 -65.7272 81.2447 -64.4883 -80.7194 -273.81 551.211 PRESSAVG: 113400 -29.5594 3.0588 61.6839 3.05885 47.6175 -21.6764 61.6839 -21.6764 -5.00204 GPRESSAVG: 113400 -28.6685 3.01885 62.587 4.81835 48.1802 -21.6439 62.0085 -23.3617 -5.79954 TIMING: 113400 CPU: 353.691, 0.00308922/step Wall: 353.691, 0.00308922/step, 4.19328 hours remaining, 233.464844 MB of memory in use. ENERGY: 113400 3915.9143 20640.7419 14462.5788 274.2748 -203235.6378 3333.0863 0.0000 0.0000 52176.5032 -108432.5386 299.8591 -160609.0417 -108069.5719 299.5792 248.1324 272.5826 765621.4614 4.3520 4.5707 PRESSURE: 113600 262.078 94.3137 214.754 94.3142 -85.2107 -159.439 214.754 -159.437 136.536 GPRESSURE: 113600 241.954 3.43537 149.467 128.481 18.9195 -265.699 133.979 -95.3836 125.086 PRESSAVG: 113600 -2.6086 -20.3043 -7.16109 -20.3043 18.9181 7.04351 -7.16106 7.04359 15.3108 GPRESSAVG: 113600 -3.01615 -18.6834 -6.14641 -21.1807 19.2018 5.1793 -9.46994 9.04378 15.0153 TIMING: 113600 CPU: 354.312, 0.00310441/step Wall: 354.312, 0.00310441/step, 4.21372 hours remaining, 233.464844 MB of memory in use. ENERGY: 113600 3963.1892 20671.4042 14599.2702 248.0056 -203117.8407 3133.6263 0.0000 0.0000 52248.9645 -108253.3806 300.2755 -160502.3451 -107888.9343 300.7363 104.4678 128.6530 767346.8043 10.5401 10.4003 PRESSURE: 113800 -208.016 34.8154 223.997 34.816 215.181 -170.819 223.997 -170.818 291.725 GPRESSURE: 113800 -141.614 -11.294 211.663 61.5212 203.828 -58.3482 189.812 -58.8204 332.128 PRESSAVG: 113800 7.13539 -58.2493 8.15176 -58.2492 -23.3539 25.4319 8.15179 25.4319 9.57892 GPRESSAVG: 113800 7.40907 -59.8031 8.46424 -57.6196 -24.1243 28.7087 9.26223 24.8718 9.67893 TIMING: 113800 CPU: 354.932, 0.00309766/step Wall: 354.932, 0.00309766/step, 4.20438 hours remaining, 233.464844 MB of memory in use. ENERGY: 113800 3949.0195 20542.8389 14515.6787 252.0974 -202949.2421 3117.4874 0.0000 0.0000 52315.0032 -108257.1170 300.6550 -160572.1202 -107904.4134 300.7275 99.6301 131.4472 766785.0056 -2.2132 -2.3454 PRESSURE: 114000 -287.614 -70.6989 116.784 -70.6984 180.853 -36.1793 116.784 -36.1784 -379.695 GPRESSURE: 114000 -241.897 32.8534 123.169 -25.1061 139.835 14.2658 50.4381 14.153 -312.964 PRESSAVG: 114000 -58.5242 -10.2689 -4.05487 -10.2689 4.26593 -24.0303 -4.05489 -24.0305 -5.13049 GPRESSAVG: 114000 -58.7773 -9.26449 -5.53683 -10.2937 4.19064 -25.2441 -5.27547 -23.9397 -4.44656 TIMING: 114000 CPU: 355.552, 0.00310317/step Wall: 355.552, 0.00310317/step, 4.21169 hours remaining, 233.464844 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: 114000 4119.4659 20735.0730 14467.9444 235.9920 -203089.5579 2849.1694 0.0000 0.0000 52307.9078 -108374.0054 300.6143 -160681.9132 -108017.2725 300.4716 -162.1519 -138.3423 764345.4963 -19.7963 -19.6777 PRESSURE: 114200 -49.1626 127.567 -120.381 127.567 57.6936 65.5321 -120.381 65.5336 68.4267 GPRESSURE: 114200 -7.8317 9.25715 -81.5393 117.789 74.5646 3.35873 -32.6096 100.084 106.393 PRESSAVG: 114200 -1.80949 6.38882 -12.4727 6.38872 61.4775 11.3181 -12.4726 11.318 0.29868 GPRESSAVG: 114200 -1.38831 5.42926 -11.1367 5.50418 62.619 11.5724 -11.2926 10.9244 -0.96573 TIMING: 114200 CPU: 356.175, 0.00311295/step Wall: 356.175, 0.00311295/step, 4.22479 hours remaining, 233.464844 MB of memory in use. ENERGY: 114200 4021.8512 20544.0096 14510.1491 232.3161 -202867.9375 3010.5623 0.0000 0.0000 51863.1777 -108685.8714 298.0584 -160549.0491 -108330.3040 299.1474 25.6526 57.7086 763931.5963 19.9889 20.0883 PRESSURE: 114400 157.725 -11.9845 170.085 -11.9847 307.205 205.578 170.084 205.578 -22.711 GPRESSURE: 114400 156.011 41.7775 109.063 64.6923 288.862 150.227 158.729 202.165 59.7034 PRESSAVG: 114400 -51.7984 23.751 16.7989 23.7509 38.1477 11.8401 16.7989 11.8402 -9.48445 GPRESSAVG: 114400 -50.7813 23.4908 16.1466 24.0523 36.7422 13.6048 16.8533 10.4107 -8.48785 TIMING: 114400 CPU: 356.796, 0.00310688/step Wall: 356.796, 0.00310688/step, 4.21638 hours remaining, 233.464844 MB of memory in use. ENERGY: 114400 4011.3978 20597.7944 14475.0354 222.9811 -203273.5231 3127.7534 0.0000 0.0000 52008.2771 -108830.2839 298.8923 -160838.5610 -108468.9827 298.9191 147.4061 168.1919 763609.8958 -7.7117 -7.5090 PRESSURE: 114600 85.2879 92.1771 -22.5373 92.1771 -301.309 31.0194 -22.5369 31.0196 -307.329 GPRESSURE: 114600 94.3261 114.784 10.1553 17.1964 -229.574 100.417 -35.6496 -120.719 -302.202 PRESSAVG: 114600 1.35703 -9.45652 -42.2779 -9.45653 36.9911 -18.0293 -42.2778 -18.0294 -13.7016 GPRESSAVG: 114600 0.463291 -10.2807 -41.5006 -8.57222 38.1262 -17.9414 -43.7267 -16.4536 -14.0672 TIMING: 114600 CPU: 357.421, 0.00312091/step Wall: 357.421, 0.00312091/step, 4.23525 hours remaining, 233.464844 MB of memory in use. ENERGY: 114600 3978.9900 20467.8633 14474.8187 246.8711 -202437.9031 2527.7045 0.0000 0.0000 51622.1757 -109119.4799 296.6734 -160741.6556 -108761.3047 298.4484 -174.4500 -145.8166 764800.7166 8.2155 8.1741 PRESSURE: 114800 152.109 -81.8581 -42.7458 -81.8585 -194.613 -137.672 -42.7456 -137.672 -167.828 GPRESSURE: 114800 175.766 -94.4108 44.7205 -135.792 -89.878 -65.2103 -15.4894 -74.9552 -198.156 PRESSAVG: 114800 -0.77675 -4.10198 5.45447 -4.10196 20.5549 -64.4629 5.45442 -64.4629 -0.132397 GPRESSAVG: 114800 -1.36042 -0.632873 3.60641 -5.07853 21.0958 -65.4801 8.66995 -64.3609 -0.725082 TIMING: 114800 CPU: 358.042, 0.00310696/step Wall: 358.042, 0.00310696/step, 4.21615 hours remaining, 233.464844 MB of memory in use. ENERGY: 114800 3938.8174 20390.4853 14460.3396 264.2732 -202512.5444 2599.5597 0.0000 0.0000 51810.9540 -109048.1153 297.7583 -160859.0693 -108686.2062 298.1825 -70.1108 -37.4227 765757.0308 6.5486 6.3368 PRESSURE: 115000 -376.114 -18.711 -67.6134 -18.7114 -189.621 11.7524 -67.6129 11.7532 -17.9596 GPRESSURE: 115000 -288.951 -57.56 -91.1034 116.204 -267.607 36.7214 -141.279 -6.75541 57.7202 PRESSAVG: 115000 -44.3158 -66.7638 15.9187 -66.7638 47.5602 -20.4312 15.9187 -20.4313 -3.50625 GPRESSAVG: 115000 -43.6239 -69.737 16.0459 -65.5258 46.1972 -20.7986 12.9127 -19.0345 -2.55169 TIMING: 115000 CPU: 358.663, 0.00310654/step Wall: 358.663, 0.00310654/step, 4.2154 hours remaining, 233.464844 MB of memory in use. ENERGY: 115000 4044.9234 20715.2984 14448.7522 240.0771 -202875.9065 2709.5535 0.0000 0.0000 51718.5215 -108998.7804 297.2271 -160717.3019 -108652.3747 298.7528 -194.5651 -166.2793 764441.4984 -0.0873 0.0072 PRESSURE: 115200 336.775 -227.171 23.5214 -227.17 312.495 74.4193 23.5217 74.4191 -16.3463 GPRESSURE: 115200 323.153 -39.3335 75.9951 -237.923 363.825 23.2548 56.6715 97.9563 34.6161 PRESSAVG: 115200 -41.9607 2.47068 37.512 2.47063 75.1552 1.41886 37.5121 1.41893 1.1674 GPRESSAVG: 115200 -42.0481 4.15065 39.362 1.88372 75.5479 2.11148 35.8576 -0.0820612 0.697176 TIMING: 115200 CPU: 359.285, 0.00310788/step Wall: 359.285, 0.00310788/step, 4.21705 hours remaining, 233.464844 MB of memory in use. ENERGY: 115200 3959.0747 20489.0056 14495.9431 260.0661 -203465.5849 3300.8750 0.0000 0.0000 52005.6006 -108955.0199 298.8769 -160960.6205 -108595.7336 298.3725 210.9744 240.5311 765014.2494 11.4539 11.3990 PRESSURE: 115400 48.9733 211.191 -167.762 211.191 -248.833 -27.6484 -167.762 -27.6483 -173.822 GPRESSURE: 115400 152.834 180.519 -208.635 100.506 -278.695 -44.692 -149.284 -95.2218 -168.629 PRESSAVG: 115400 -36.6763 -33.4802 -12.6658 -33.4802 15.7801 -16.3798 -12.6659 -16.3799 -4.97548 GPRESSAVG: 115400 -36.7358 -33.0647 -12.419 -34.8558 16.0605 -15.5065 -10.5351 -18.2581 -5.1857 TIMING: 115400 CPU: 359.907, 0.00311033/step Wall: 359.907, 0.00311033/step, 4.2202 hours remaining, 233.464844 MB of memory in use. ENERGY: 115400 3937.9128 20456.1595 14583.1291 263.1696 -202893.5473 2883.1358 0.0000 0.0000 51792.5375 -108977.5029 297.6524 -160770.0404 -108628.5511 298.6782 -124.5606 -98.1635 764923.8486 -8.6239 -8.6203 PRESSURE: 115600 282.603 100.108 61.81 100.107 155.763 2.86643 61.8107 2.86759 434.437 GPRESSURE: 115600 243.812 65.7485 -21.3135 -18.319 146.016 -41.2411 54.9207 -56.9834 537.218 PRESSAVG: 115600 22.5572 9.51794 68.9079 9.51797 -46.1803 -41.3928 68.9079 -41.3928 32.8804 GPRESSAVG: 115600 22.6999 7.97689 68.2065 11.6239 -45.8293 -43.2171 69.1401 -40.2807 32.863 TIMING: 115600 CPU: 360.529, 0.003112/step Wall: 360.529, 0.003112/step, 4.22229 hours remaining, 233.464844 MB of memory in use. ENERGY: 115600 3998.2490 20505.1609 14472.6569 232.0721 -203847.4521 3406.0905 0.0000 0.0000 52194.8952 -109038.3276 299.9648 -161233.2227 -108680.5135 298.5982 290.9340 309.0155 764131.9797 3.0858 3.2445 PRESSURE: 115800 -130.677 -105.591 187.45 -105.592 -72.536 -85.6283 187.45 -85.6279 -437.177 GPRESSURE: 115800 -132.228 -164.637 205.432 -27.5843 -121.066 0.98441 72.4759 -37.0671 -311.584 PRESSAVG: 115800 10.8792 -19.4597 -23.2715 -19.4597 -14.4139 -6.67024 -23.2715 -6.67026 0.791052 GPRESSAVG: 115800 11.2997 -18.2526 -23.7561 -22.2855 -14.9807 -5.65704 -21.2078 -5.2397 0.952287 TIMING: 115800 CPU: 361.15, 0.00310486/step Wall: 361.15, 0.00310486/step, 4.21244 hours remaining, 233.464844 MB of memory in use. ENERGY: 115800 3964.9540 20469.9893 14469.2169 246.4771 -202876.6886 2667.4355 0.0000 0.0000 51987.1026 -109071.5132 298.7706 -161058.6158 -108707.3876 298.8194 -213.4637 -188.2925 765070.4186 -0.9146 -0.9096 PRESSURE: 116000 123.75 158.818 -38.7263 158.818 -145.817 -64.8301 -38.7256 -64.8315 -190.469 GPRESSURE: 116000 213.9 92.6272 -99.9565 159.281 -126.556 -54.851 -92.6421 -54.3824 -207.751 PRESSAVG: 116000 -0.911546 -48.9159 -1.46561 -48.9159 -35.3291 -39.6595 -1.46556 -39.6595 23.3991 GPRESSAVG: 116000 -1.15839 -51.1094 -1.89575 -46.8062 -34.0018 -39.8804 -5.71644 -40.9999 23.014 TIMING: 116000 CPU: 361.773, 0.00311385/step Wall: 361.773, 0.00311385/step, 4.22445 hours remaining, 233.464844 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: 116000 4013.5152 20508.1279 14495.5945 238.5871 -203088.9761 2794.0537 0.0000 0.0000 52041.7284 -108997.3694 299.0845 -161039.0978 -108630.9395 298.8370 -70.8453 -40.1355 765088.0764 -4.2805 -4.0487 PRESSURE: 116200 -49.1879 147.445 -64.4452 147.445 -152.034 58.2032 -64.4465 58.203 600.991 GPRESSURE: 116200 -63.6089 106.7 -16.5597 230.713 36.2241 6.91925 5.31516 51.7028 529.51 PRESSAVG: 116200 29.3513 -14.4254 -9.05272 -14.4253 -28.6272 -6.00807 -9.0527 -6.00812 -28.6215 GPRESSAVG: 116200 29.5978 -13.9245 -7.36983 -14.8952 -28.841 -6.72417 -6.1994 -6.74713 -28.976 TIMING: 116200 CPU: 362.396, 0.00311432/step Wall: 362.396, 0.00311432/step, 4.22492 hours remaining, 233.464844 MB of memory in use. ENERGY: 116200 3952.3938 20563.9984 14413.6343 268.4800 -202721.7606 2894.6929 0.0000 0.0000 51765.4310 -108863.1302 297.4966 -160628.5612 -108503.1220 298.6253 133.2565 167.3751 765987.6016 -9.2991 -9.4064 LDB: ============= START OF LOAD BALANCING ============== 374.874 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 374.875 LDB: =============== DONE WITH MIGRATION ================ 374.876 LDB: ============= START OF LOAD BALANCING ============== 375.189 LDB: Largest compute 7052 load 0.029403 is 15.1% of average load 0.194495 LDB: Average compute 0.004368 is 2.2% of average load 0.194495 LDB: TIME 375.193 LOAD: AVG 0.194495 MAX 0.213484 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.102 MB LDB: TIME 375.193 LOAD: AVG 0.194495 MAX 0.213484 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.102 MB LDB: TIME 375.193 LOAD: AVG 0.194495 MAX 0.213484 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.102 MB LDB: ============== END OF LOAD BALANCING =============== 375.195 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 375.2 PRESSURE: 116400 283.653 -151.732 84.5758 -151.731 342.754 235.846 84.5758 235.846 433.346 GPRESSURE: 116400 345.243 -184.77 -13.304 -205.756 379.651 269.137 -20.1184 125.03 419.245 PRESSAVG: 116400 -17.4611 -92.8287 31.9112 -92.8287 -16.5347 37.5671 31.9112 37.567 -18.6407 GPRESSAVG: 116400 -17.4604 -93.2189 33.726 -94.0343 -17.2918 37.0154 29.552 39.5236 -17.966 TIMING: 116400 CPU: 363.034, 0.00319109/step Wall: 363.034, 0.00319109/step, 4.32889 hours remaining, 232.589844 MB of memory in use. ENERGY: 116400 4026.4049 20572.5894 14489.7424 256.1112 -203133.9687 3181.0718 0.0000 0.0000 51808.3991 -108799.6497 297.7436 -160608.0489 -108446.6582 298.4134 353.2509 381.3796 765531.6085 -17.5455 -17.5727 PRESSURE: 116600 -24.9011 2.32886 197.704 2.32963 -102.725 -62.224 197.704 -62.2252 -370.458 GPRESSURE: 116600 -28.6337 -2.38258 159.619 38.4268 -122.585 -110.512 112.863 -105.56 -260.063 PRESSAVG: 116600 -10.3148 -53.1383 26.9872 -53.1383 23.912 76.9198 26.9872 76.9198 -9.98253 GPRESSAVG: 116600 -10.3093 -50.2701 23.974 -52.3009 24.0516 77.4278 28.2938 74.4629 -10.1398 TIMING: 116600 CPU: 363.654, 0.0031012/step Wall: 363.654, 0.0031012/step, 4.20678 hours remaining, 232.589844 MB of memory in use. ENERGY: 116600 4000.5166 20645.3354 14478.9870 249.5584 -203096.3725 2892.6509 0.0000 0.0000 52032.6163 -108796.7078 299.0322 -160829.3241 -108445.8541 298.9586 -166.0279 -137.0936 766570.8377 1.2049 1.2008 PRESSURE: 116800 -49.5022 -77.489 -36.5769 -77.4891 -218.195 -54.0946 -36.5774 -54.0928 89.6056 GPRESSURE: 116800 47.7547 -70.2683 16.4731 60.8951 -302.56 9.1494 -58.99 -43.264 156.524 PRESSAVG: 116800 -7.44018 -2.56087 0.112453 -2.56088 22.6595 5.97406 0.112448 5.97413 7.75383 GPRESSAVG: 116800 -7.86813 -5.56547 2.06107 -1.47439 22.5452 5.0474 0.776063 7.86174 8.18815 TIMING: 116800 CPU: 364.278, 0.00311613/step Wall: 364.278, 0.00311613/step, 4.22686 hours remaining, 232.589844 MB of memory in use. ENERGY: 116800 4021.9496 20514.8690 14482.0579 274.3194 -202879.4699 3037.2293 0.0000 0.0000 51936.3101 -108612.7344 298.4787 -160549.0445 -108244.1928 299.3864 -59.3638 -32.7603 767790.3229 7.6577 7.6217 PRESSURE: 117000 93.8627 55.4133 94.5383 55.4129 -142.277 -155.947 94.5392 -155.947 -43.2189 GPRESSURE: 117000 108.523 5.65635 177.994 128.973 -76.7093 -185.538 -65.8648 -160.869 -37.3244 PRESSAVG: 117000 -22.98 6.56907 21.8707 6.56904 21.4007 -33.45 21.8706 -33.45 20.7628 GPRESSAVG: 117000 -23.2775 9.73509 22.4724 4.02577 22.0412 -35.1946 20.7115 -32.0117 20.1397 TIMING: 117000 CPU: 364.899, 0.00310747/step Wall: 364.899, 0.00310747/step, 4.21494 hours remaining, 232.589844 MB of memory in use. ENERGY: 117000 3981.1008 20550.4448 14492.0246 247.1221 -203179.0285 3210.3715 0.0000 0.0000 52125.0980 -108572.8666 299.5637 -160697.9646 -108211.1801 299.2197 -30.5443 -1.8370 765244.7855 6.3945 6.3011 PRESSURE: 117200 -96.9282 97.8575 -139.64 97.8573 94.4745 48.4659 -139.639 48.4651 -51.9966 GPRESSURE: 117200 -40.1025 246.496 -191.816 38.6449 85.6078 27.5332 -99.6501 160.204 -11.0066 PRESSAVG: 117200 -73.776 -2.32939 25.1695 -2.32932 14.7122 2.91909 25.1695 2.91914 0.848147 GPRESSAVG: 117200 -74.6207 -4.61427 22.7711 -2.31189 15.4337 3.93903 25.0468 0.866047 1.12302 TIMING: 117200 CPU: 365.521, 0.00311054/step Wall: 365.521, 0.00311054/step, 4.21893 hours remaining, 232.589844 MB of memory in use. ENERGY: 117200 3948.3211 20367.0587 14530.2595 238.9583 -202774.3347 2930.8093 0.0000 0.0000 52106.9259 -108652.0019 299.4592 -160758.9278 -108290.2266 299.4850 -18.1501 11.4996 764780.6978 -19.4052 -19.3546 PRESSURE: 117400 -36.3869 -59.3748 -292.646 -59.3748 -511.514 -182.297 -292.646 -182.298 -307.013 GPRESSURE: 117400 -92.1292 35.1591 -298.431 159.819 -479.664 -212.47 -79.0051 -158.701 -182.15 PRESSAVG: 117400 9.09011 22.4399 11.7325 22.4399 -36.0869 -53.5371 11.7325 -53.5371 -13.4305 GPRESSAVG: 117400 10.9522 21.2943 12.569 24.0673 -36.42 -52.9576 15.1816 -53.7155 -14.8792 TIMING: 117400 CPU: 366.144, 0.00311363/step Wall: 366.144, 0.00311363/step, 4.22295 hours remaining, 232.589844 MB of memory in use. ENERGY: 117400 4042.0846 20662.2765 14430.7091 249.0261 -202215.6554 2450.1470 0.0000 0.0000 51967.8044 -108413.6077 298.6597 -160381.4121 -108060.1318 299.4088 -284.9712 -251.3142 765189.3895 -13.4758 -13.4490 PRESSURE: 117600 -138.723 -101.31 143.973 -101.309 -140.022 191.623 143.973 191.624 -192.491 GPRESSURE: 117600 -216.649 -30.3918 29.9276 -21.0317 8.27561 153.481 106.084 153.619 -161.496 PRESSAVG: 117600 4.35259 -53.9226 -17.8101 -53.9225 -9.43716 -29.8134 -17.81 -29.8133 15.0232 GPRESSAVG: 117600 3.35793 -50.5918 -18.5715 -54.8656 -9.28261 -30.5524 -18.2397 -28.9082 15.7302 TIMING: 117600 CPU: 366.764, 0.00310048/step Wall: 366.764, 0.00310048/step, 4.20494 hours remaining, 232.589844 MB of memory in use. ENERGY: 117600 3953.3440 20613.2199 14456.1406 259.2396 -202804.9640 2772.6009 0.0000 0.0000 52187.1325 -108563.2864 299.9202 -160750.4189 -108208.0245 299.4743 -157.0789 -123.2897 765659.3840 3.3129 3.2685 PRESSURE: 117800 -239.363 -15.3811 283.312 -15.3811 -129.288 -115.484 283.312 -115.483 -101.232 GPRESSURE: 117800 -137.003 4.32544 343.158 -144.698 -124.733 -114.185 275.962 -18.7398 -137.402 PRESSAVG: 117800 -40.8867 -47.4781 22.2843 -47.4781 -8.07921 25.2256 22.2843 25.2256 -16.6214 GPRESSAVG: 117800 -40.4449 -47.6889 24.1265 -46.7864 -8.56342 22.9275 18.8105 27.3778 -16.6941 TIMING: 117800 CPU: 367.385, 0.00310418/step Wall: 367.385, 0.00310418/step, 4.20979 hours remaining, 232.589844 MB of memory in use. ENERGY: 117800 3991.6777 20480.1515 14435.1228 228.5554 -202591.9108 2744.4829 0.0000 0.0000 52204.3652 -108507.5553 300.0192 -160711.9205 -108138.1053 299.1671 -156.6275 -133.0457 766147.1707 -21.8624 -21.9008 PRESSURE: 118000 11.3485 25.956 -176.058 25.9555 11.873 -35.0802 -176.058 -35.082 26.7167 GPRESSURE: 118000 89.8257 17.1059 -164.801 -25.4815 -43.9508 -63.3017 -105.91 -91.8244 53.3606 PRESSAVG: 118000 51.5862 -40.829 -10.8665 -40.8291 -28.4316 -33.739 -10.8665 -33.7391 -6.88292 GPRESSAVG: 118000 51.711 -43.7566 -11.5787 -39.4408 -28.127 -29.9672 -8.40928 -36.364 -7.17137 TIMING: 118000 CPU: 368.008, 0.00311608/step Wall: 368.008, 0.00311608/step, 4.22575 hours remaining, 232.589844 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: 118000 4063.5109 20605.6515 14428.3419 243.6293 -202807.4872 2709.0666 0.0000 0.0000 52198.1344 -108559.1526 299.9834 -160757.2870 -108201.8910 299.8747 16.6460 33.0785 765235.5149 5.4239 5.4709 PRESSURE: 118200 45.3015 -81.0526 -29.4959 -81.0529 44.8054 45.6832 -29.497 45.6827 22.0611 GPRESSURE: 118200 115.529 14.7181 -38.26 -134.064 7.3155 69.8089 6.98706 9.46237 46.2828 PRESSAVG: 118200 66.7308 -19.7737 5.83277 -19.7737 -21.8714 76.4174 5.83277 76.4175 10.551 GPRESSAVG: 118200 66.4074 -15.8886 6.04625 -21.7135 -22.086 75.6666 5.50551 75.1484 11.3533 TIMING: 118200 CPU: 368.632, 0.00311747/step Wall: 368.632, 0.00311747/step, 4.22746 hours remaining, 232.589844 MB of memory in use. ENERGY: 118200 4000.1260 20538.6356 14519.9637 242.6721 -202592.2964 2676.7583 0.0000 0.0000 51999.8597 -108614.2810 298.8439 -160614.1407 -108255.7254 299.4348 37.3894 56.3757 765329.1452 18.4701 18.5582 PRESSURE: 118400 -164.931 -21.436 245.694 -21.4365 180.199 196.928 245.694 196.929 -146.39 GPRESSURE: 118400 -75.5948 -21.5174 221.221 14.7066 254.351 167.979 187.172 292.687 -224.369 PRESSAVG: 118400 27.8656 -1.56982 -13.1668 -1.56984 -40.7481 30.0386 -13.1668 30.0386 3.82825 GPRESSAVG: 118400 28.2876 -4.42127 -12.3082 1.67288 -41.2844 28.6946 -12.2522 34.323 4.54491 TIMING: 118400 CPU: 369.253, 0.00310581/step Wall: 369.253, 0.00310581/step, 4.21148 hours remaining, 232.589844 MB of memory in use. ENERGY: 118400 3985.4498 20529.4423 14563.2872 265.5671 -202983.1322 2934.1941 0.0000 0.0000 52066.8174 -108638.3743 299.2287 -160705.1918 -108281.9805 299.3260 -43.7076 -15.2043 766710.4484 -3.0181 -2.8173 PRESSURE: 118600 182.607 54.8449 77.6815 54.8449 -298.532 -0.438968 77.6814 -0.439118 -293.598 GPRESSURE: 118600 204.107 -6.60513 138.965 57.27 -218.619 -1.77015 90.9838 -103.957 -289.096 PRESSAVG: 118600 77.184 7.33077 -0.82846 7.33084 -91.3265 24.8588 -0.828511 24.8588 -3.08072 GPRESSAVG: 118600 77.1501 5.85242 -1.68711 5.35298 -90.7185 25.6308 -0.307007 21.1093 -3.1661 TIMING: 118600 CPU: 369.878, 0.0031259/step Wall: 369.878, 0.0031259/step, 4.23855 hours remaining, 232.589844 MB of memory in use. ENERGY: 118600 4138.0757 20534.6509 14466.5864 258.9428 -202752.9477 2714.5873 0.0000 0.0000 52158.9512 -108481.1535 299.7582 -160640.1046 -108117.2999 299.6457 -136.5073 -101.2028 765004.8459 -5.7411 -5.5782 PRESSURE: 118800 303.481 82.4119 23.5026 82.4118 -241.157 112.814 23.5026 112.814 -63.0784 GPRESSURE: 118800 269.551 82.6613 26.4853 66.5542 -217.318 132.008 58.1121 81.1797 14.0469 PRESSAVG: 118800 23.988 52.6139 29.9916 52.6138 -48.7779 -2.0055 29.9916 -2.00545 0.698046 GPRESSAVG: 118800 23.8053 53.8317 29.2795 54.0514 -49.2277 -2.31166 28.796 -1.00618 1.29256 TIMING: 118800 CPU: 370.499, 0.00310379/step Wall: 370.499, 0.00310379/step, 4.20839 hours remaining, 232.589844 MB of memory in use. ENERGY: 118800 3991.2515 20529.5714 14506.5907 239.8917 -202850.0294 2750.4138 0.0000 0.0000 52670.9946 -108161.3155 302.7009 -160832.3102 -107791.4231 300.6324 -0.2513 22.0933 765031.3735 -8.0306 -8.0433 PRESSURE: 119000 -414.291 1.97845 -211.997 1.97792 -265.181 50.3366 -211.996 50.3376 109.933 GPRESSURE: 119000 -326.341 28.9967 -214.03 -7.08595 -310.25 49.8033 -214.389 -126.137 168.516 PRESSAVG: 119000 -4.51624 4.51748 -21.0077 4.51744 0.040779 -8.87124 -21.0077 -8.87125 1.06468 GPRESSAVG: 119000 -4.57589 8.03351 -21.2006 2.34277 0.565203 -8.70574 -23.7544 -9.33836 0.559542 TIMING: 119000 CPU: 371.126, 0.00313532/step Wall: 371.126, 0.00313532/step, 4.25098 hours remaining, 232.589844 MB of memory in use. ENERGY: 119000 3959.4715 20622.0264 14539.8088 245.9134 -202075.2580 2315.5893 0.0000 0.0000 52172.8212 -108219.6274 299.8379 -160392.4486 -107847.6742 300.5177 -189.8462 -156.0252 765044.9414 -1.1369 -1.1504 PRESSURE: 119200 -119.882 80.1354 69.2362 80.1356 -107.417 147.216 69.2361 147.216 -395.671 GPRESSURE: 119200 -99.9507 -1.84645 -19.9791 33.747 -110.824 118.343 180.768 120.302 -349.122 PRESSAVG: 119200 32.2392 -40.3759 27.5194 -40.3758 34.9585 22.7306 27.5194 22.7306 -10.7712 GPRESSAVG: 119200 32.8891 -41.2924 28.2249 -38.4428 35.0101 23.3394 30.1462 22.9723 -11.335 TIMING: 119200 CPU: 371.751, 0.00312814/step Wall: 371.751, 0.00312814/step, 4.24107 hours remaining, 232.589844 MB of memory in use. ENERGY: 119200 4066.8044 20844.3998 14509.1701 234.0348 -202790.5868 2598.9870 0.0000 0.0000 52401.2316 -108135.9591 301.1506 -160537.1907 -107774.9299 301.0864 -207.6567 -186.6325 764918.0345 18.8088 18.8547 PRESSURE: 119400 190.048 105.375 72.0383 105.375 -42.7175 -123.879 72.0376 -123.878 170.912 GPRESSURE: 119400 224.523 22.8739 57.4633 18.6151 -72.0357 -115.954 -31.8006 -52.9323 238.221 PRESSAVG: 119400 11.0171 50.7522 41.3591 50.7523 13.5415 -12.3949 41.3591 -12.3949 -7.10179 GPRESSAVG: 119400 9.61386 49.1101 40.1723 50.6342 13.0315 -12.203 39.0494 -12.166 -5.58007 TIMING: 119400 CPU: 372.373, 0.00310979/step Wall: 372.373, 0.00310979/step, 4.21602 hours remaining, 232.589844 MB of memory in use. ENERGY: 119400 3973.7696 20758.5202 14489.6879 262.9457 -202713.3321 2706.5843 0.0000 0.0000 52204.2650 -108317.5594 300.0186 -160521.8245 -107956.1570 301.1877 106.0807 130.2360 764278.0999 5.8190 5.6884 PRESSURE: 119600 -44.9947 -0.0929549 45.8194 -0.0933494 347.424 87.3564 45.8194 87.355 24.3478 GPRESSURE: 119600 24.7907 -66.2428 120.288 12.8967 330.085 78.9281 -28.9424 28.435 52.108 PRESSAVG: 119600 -3.59737 1.85724 -32.5527 1.85716 -13.9114 -3.60396 -32.5527 -3.60391 1.25034 GPRESSAVG: 119600 -2.21123 3.40495 -31.5504 0.990027 -14.1625 -3.76321 -32.6052 -4.13598 0.402516 TIMING: 119600 CPU: 372.994, 0.00310179/step Wall: 372.994, 0.00310179/step, 4.205 hours remaining, 232.589844 MB of memory in use. ENERGY: 119600 4003.3753 20622.2946 14523.2099 256.2317 -202939.6785 2717.0801 0.0000 0.0000 52268.2442 -108549.2426 300.3863 -160817.4868 -108179.9052 300.2889 108.9256 135.6612 763172.3319 -5.4195 -5.3237 PRESSURE: 119800 -62.1672 -29.0765 -295.689 -29.0765 197.011 -198.661 -295.69 -198.662 536.153 GPRESSURE: 119800 45.3644 -39.263 -209.884 25.979 184.348 -253.144 -333.684 -79.7418 524.232 PRESSAVG: 119800 -50.1141 24.0743 19.1939 24.0743 5.99077 25.0525 19.1939 25.0525 -1.7091 GPRESSAVG: 119800 -50.7482 20.8824 19.1346 25.631 7.52042 23.2734 21.5826 25.3043 -2.38232 TIMING: 119800 CPU: 373.616, 0.00311067/step Wall: 373.616, 0.00311067/step, 4.21686 hours remaining, 232.589844 MB of memory in use. ENERGY: 119800 4081.6907 20607.9165 14468.0553 249.0059 -202917.3737 2971.8919 0.0000 0.0000 51983.0981 -108555.7153 298.7476 -160538.8134 -108196.6705 300.1260 223.6656 251.3150 764164.0846 -15.2775 -15.2033 PRESSURE: 120000 -0.414655 -134.758 204.582 -134.757 -117.438 21.0504 204.582 21.0505 303.197 GPRESSURE: 120000 47.1536 -63.5549 79.478 -20.4476 -48.671 3.80294 319.405 94.3217 282.658 PRESSAVG: 120000 -34.5945 -7.59781 0.958835 -7.59777 37.6047 -23.2618 0.958752 -23.2618 13.5148 GPRESSAVG: 120000 -35.2515 -5.73856 0.589889 -8.58172 36.9753 -23.5431 -1.09328 -21.1521 15.0937 TIMING: 120000 CPU: 374.24, 0.00312197/step Wall: 374.24, 0.00312197/step, 4.23201 hours remaining, 232.589844 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: 120000 3944.6420 20657.6036 14523.7967 257.4997 -203359.9044 3125.9366 0.0000 0.0000 52205.2830 -108645.1428 300.0245 -160850.4257 -108292.1462 299.6114 61.7812 93.7134 764565.4322 5.5083 5.6058 PRESSURE: 120200 -135.308 135.286 -29.323 135.287 -30.3438 -139.351 -29.3218 -139.351 85.1543 GPRESSURE: 120200 -171.181 89.8655 -5.74119 169.348 41.4852 -154.35 -14.0997 -234.374 147.4 PRESSAVG: 120200 -8.41523 13.8652 22.5305 13.8652 49.1609 -23.1403 22.5305 -23.1403 14.6712 GPRESSAVG: 120200 -7.63757 15.3056 21.8529 12.9217 49.3488 -20.2607 23.074 -26.6307 13.1089 TIMING: 120200 CPU: 374.863, 0.00311518/step Wall: 374.863, 0.00311518/step, 4.22263 hours remaining, 232.589844 MB of memory in use. ENERGY: 120200 3960.1778 20553.6128 14547.8083 264.2551 -202611.9227 2443.6262 0.0000 0.0000 52052.1089 -108790.3335 299.1442 -160842.4424 -108433.8798 299.1571 -26.8326 5.9014 763958.3953 18.4723 18.2734 LDB: ============= START OF LOAD BALANCING ============== 387.341 LDB: ============== END OF LOAD BALANCING =============== 387.341 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 387.343 LDB: ============= START OF LOAD BALANCING ============== 387.656 LDB: Largest compute 7052 load 0.031013 is 15.9% of average load 0.194512 LDB: Average compute 0.004384 is 2.3% of average load 0.194512 LDB: TIME 387.66 LOAD: AVG 0.194512 MAX 0.217175 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.102 MB LDB: TIME 387.66 LOAD: AVG 0.194512 MAX 0.217175 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.102 MB LDB: TIME 387.66 LOAD: AVG 0.194512 MAX 0.215762 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.102 MB LDB: ============== END OF LOAD BALANCING =============== 387.662 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 387.667 PRESSURE: 120400 138.614 59.9231 -157.886 59.9232 164.242 159.777 -157.886 159.777 -40.2969 GPRESSURE: 120400 121.116 39.9241 -131.888 -18.628 126.707 126.6 -60.5408 194.709 93.2034 PRESSAVG: 120400 1.35478 -39.5984 -28.3747 -39.5984 -11.4565 4.99228 -28.3746 4.99233 25.1029 GPRESSAVG: 120400 0.932616 -41.412 -28.6159 -38.8309 -11.4495 2.16695 -27.1899 6.9136 24.911 TIMING: 120400 CPU: 375.501, 0.00318993/step Wall: 375.501, 0.00318993/step, 4.32377 hours remaining, 232.386719 MB of memory in use. ENERGY: 120400 3973.3774 20588.4612 14514.3885 244.0363 -203086.0721 2751.7344 0.0000 0.0000 52115.6900 -108898.3843 299.5096 -161014.0743 -108513.0801 298.9312 87.5199 113.6755 764696.2032 5.0004 4.7980 PRESSURE: 120600 150.905 158.761 185.308 158.76 -91.2301 -224.487 185.308 -224.486 352.505 GPRESSURE: 120600 158.526 175.051 120.942 16.4908 -31.9162 -222.985 140.797 -224.432 369.653 PRESSAVG: 120600 23.8379 -59.0868 14.944 -59.0868 -63.2443 26.6615 14.944 26.6615 -4.37026 GPRESSAVG: 120600 23.9113 -58.1555 15.2152 -59.3801 -63.189 29.442 13.8097 26.1874 -4.36611 TIMING: 120600 CPU: 376.126, 0.00312452/step Wall: 376.126, 0.00312452/step, 4.23494 hours remaining, 232.386719 MB of memory in use. ENERGY: 120600 4032.2459 20529.5968 14573.8716 251.5272 -202642.3609 2680.9993 0.0000 0.0000 51971.0048 -108603.1154 298.6781 -160574.1202 -108240.4287 298.9981 137.3933 165.4210 762732.2230 -14.5922 -14.5480 PRESSURE: 120800 -241.945 11.2728 -154.531 11.2723 263.29 -146.65 -154.531 -146.649 -171.326 GPRESSURE: 120800 -184.462 20.2545 -199.166 94.8137 322.551 -117.35 -150.172 -134.625 -196.813 PRESSAVG: 120800 22.5294 0.555482 52.6749 0.555458 19.3903 -1.41235 52.6748 -1.41238 21.3936 GPRESSAVG: 120800 21.4971 0.339017 52.4818 0.591248 19.0221 -2.47959 52.8579 -1.38347 22.5305 TIMING: 120800 CPU: 376.75, 0.0031205/step Wall: 376.75, 0.0031205/step, 4.22931 hours remaining, 232.386719 MB of memory in use. ENERGY: 120800 4021.8122 20552.7888 14484.8784 268.0630 -203237.7126 3107.6309 0.0000 0.0000 52234.2213 -108568.3180 300.1908 -160802.5393 -108202.0187 299.6462 -49.9936 -19.5747 764944.9743 21.1044 21.0166 PRESSURE: 121000 -110.419 -173.786 -114.973 -173.787 -52.8876 213.274 -114.973 213.273 121.686 GPRESSURE: 121000 -141.108 -98.4947 -112.69 -162.386 23.9801 136.599 -91.474 244.028 159.017 PRESSAVG: 121000 -51.9041 -49.2738 28.7146 -49.2738 65.2457 24.6583 28.7146 24.6583 29.6152 GPRESSAVG: 121000 -52.5079 -49.9744 30.0194 -47.6687 65.492 23.6846 28.9529 24.8628 29.8121 TIMING: 121000 CPU: 377.377, 0.00313449/step Wall: 377.377, 0.00313449/step, 4.2481 hours remaining, 232.386719 MB of memory in use. ENERGY: 121000 4028.8805 20426.4987 14528.1544 255.7332 -202913.4345 2925.9539 0.0000 0.0000 52136.9620 -108611.2517 299.6318 -160748.2137 -108239.8617 299.7947 -13.8737 13.9630 764564.1184 14.3189 14.2654 PRESSURE: 121200 181.216 -219.345 -187.668 -219.344 287.113 -345.226 -187.668 -345.228 27.9077 GPRESSURE: 121200 204.791 -156.279 -176.354 -91.7767 310.755 -300.068 -73.3362 -247.991 41.4194 PRESSAVG: 121200 -61.3609 -17.2129 5.46805 -17.2129 60.4341 -25.5164 5.46804 -25.5164 12.1096 GPRESSAVG: 121200 -60.2219 -13.6947 5.74386 -19.1751 59.2923 -25.1235 4.77336 -26.2923 11.8811 TIMING: 121200 CPU: 378.004, 0.00313414/step Wall: 378.004, 0.00313414/step, 4.24746 hours remaining, 232.386719 MB of memory in use. ENERGY: 121200 4021.9795 20472.0367 14553.0735 248.4767 -203075.6117 2845.8224 0.0000 0.0000 52108.4081 -108825.8148 299.4677 -160934.2228 -108459.1441 299.5160 165.4122 185.6550 762918.9038 3.7276 3.6505 PRESSURE: 121400 7.23522 128.818 -212.68 128.819 -326.93 -37.5711 -212.68 -37.5726 -271.533 GPRESSURE: 121400 -7.04575 97.8948 -216.546 38.6932 -250.44 41.6021 -121.853 -155.125 -263.301 PRESSAVG: 121400 42.1548 6.83064 32.8954 6.83064 -16.6815 -29.3929 32.8954 -29.3929 24.1473 GPRESSAVG: 121400 41.253 5.6326 31.9872 7.05777 -15.9295 -28.1702 34.0813 -27.6255 24.6996 TIMING: 121400 CPU: 378.63, 0.00313141/step Wall: 378.63, 0.00313141/step, 4.24359 hours remaining, 232.386719 MB of memory in use. ENERGY: 121400 4052.5622 20524.6916 14490.8568 250.5418 -202564.4758 2541.0406 0.0000 0.0000 52101.9790 -108602.8037 299.4308 -160704.7827 -108248.5739 299.6092 -197.0758 -173.5955 763967.4111 16.5402 16.6744 PRESSURE: 121600 -220.613 98.8845 140.518 98.8844 250.816 248.521 140.518 248.52 330.925 GPRESSURE: 121600 -116.374 167.47 107.009 99.1755 246.88 244.649 119.125 46.5533 342.713 PRESSAVG: 121600 -32.2099 1.41186 -17.7744 1.41184 -17.5693 -37.5205 -17.7744 -37.5204 8.78261 GPRESSAVG: 121600 -32.2214 0.216172 -17.6115 2.96548 -17.3919 -37.6237 -16.8299 -41.134 8.33232 TIMING: 121600 CPU: 379.253, 0.00311524/step Wall: 379.253, 0.00311524/step, 4.2215 hours remaining, 232.386719 MB of memory in use. ENERGY: 121600 4104.8843 20337.3102 14550.2271 254.0115 -203125.2211 3063.7453 0.0000 0.0000 52150.0182 -108665.0245 299.7069 -160815.0428 -108298.2585 299.7130 120.3758 157.7398 764336.0084 -13.6655 -13.7603 PRESSURE: 121800 -208.353 -111.65 25.5186 -111.65 -60.9249 -214.906 25.5194 -214.906 113.368 GPRESSURE: 121800 -133.698 -74.911 19.8258 -4.19234 -39.1388 -245.39 65.4634 -221.887 89.1137 PRESSAVG: 121800 -31.0152 23.3319 38.785 23.3319 50.1857 -40.6155 38.7851 -40.6155 -7.20958 GPRESSAVG: 121800 -31.458 23.2264 39.014 21.8289 49.8277 -40.882 36.7999 -39.0844 -6.11527 TIMING: 121800 CPU: 379.877, 0.00311612/step Wall: 379.877, 0.00311612/step, 4.22251 hours remaining, 232.386719 MB of memory in use. ENERGY: 121800 3981.4341 20448.5417 14493.7243 259.8769 -203230.5697 3075.2135 0.0000 0.0000 52161.1121 -108810.6672 299.7706 -160971.7793 -108443.0189 299.6606 -51.9700 -27.9077 762420.4118 3.9870 4.0848 PRESSURE: 122000 -272.912 135.078 96.7639 135.077 -181.118 -102.047 96.7643 -102.047 -533.11 GPRESSURE: 122000 -288.434 148.32 -42.6992 -44.4266 -112.412 -76.2977 78.026 -40.6026 -522.84 PRESSAVG: 122000 -30.07 26.6367 -0.958573 26.6368 10.2444 -52.7383 -0.958599 -52.7383 9.03715 GPRESSAVG: 122000 -29.1358 26.9174 -0.930972 27.943 10.4059 -53.4699 -0.363535 -52.915 7.77549 TIMING: 122000 CPU: 380.5, 0.00311634/step Wall: 380.5, 0.00311634/step, 4.22264 hours remaining, 232.386719 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: 122000 4020.3098 20577.1573 14593.1713 253.8565 -202318.9432 2350.7190 0.0000 0.0000 51848.5810 -108675.1483 297.9745 -160523.7293 -108308.8279 299.8167 -329.0468 -307.8951 764485.6989 -3.5961 -3.6515 PRESSURE: 122200 -150.494 19.4296 -145.908 19.4287 -134.116 -193.252 -145.908 -193.253 423.521 GPRESSURE: 122200 -85.458 4.34549 -176.016 29.6616 -138.009 -220.255 76.3437 -210.066 436.519 PRESSAVG: 122200 -39.3945 30.2403 -7.58118 30.2403 17.1249 -34.9851 -7.58116 -34.9851 -8.91684 GPRESSAVG: 122200 -40.0848 29.2222 -9.50153 28.1406 17.0897 -33.6687 -4.27726 -34.3638 -8.27782 TIMING: 122200 CPU: 381.126, 0.00313237/step Wall: 381.126, 0.00313237/step, 4.24418 hours remaining, 232.386719 MB of memory in use. ENERGY: 122200 3882.5339 20488.8858 14538.4588 254.0425 -202950.9044 2972.0002 0.0000 0.0000 52211.2148 -108603.7683 300.0586 -160814.9831 -108237.5690 299.2852 46.3033 71.0174 766203.7330 -10.3955 -10.4243 PRESSURE: 122400 -170.352 52.7648 -16.1472 52.7644 29.3678 162.657 -16.1474 162.658 43.0962 GPRESSURE: 122400 -55.7994 65.8578 25.0066 109.932 87.7109 142.072 100.678 227.383 -18.2919 PRESSAVG: 122400 -0.368007 38.7895 -42.8384 38.7895 35.5301 -37.0277 -42.8384 -37.0276 25.0653 GPRESSAVG: 122400 0.425702 37.1431 -41.0375 39.5421 35.6296 -38.1457 -47.3779 -36.5319 24.3167 TIMING: 122400 CPU: 381.749, 0.00311454/step Wall: 381.749, 0.00311454/step, 4.21986 hours remaining, 232.386719 MB of memory in use. ENERGY: 122400 4080.1300 20477.8706 14580.5312 252.5741 -203208.3578 3250.9622 0.0000 0.0000 51819.9842 -108746.3055 297.8102 -160566.2897 -108397.1391 299.2649 -32.6293 4.5399 766078.9053 20.0758 20.1240 PRESSURE: 122600 -122.291 9.62213 -9.36253 9.62295 -55.5344 185.019 -9.36152 185.018 -449.722 GPRESSURE: 122600 -36.9698 -90.6184 -34.6061 105.46 -45.6133 77.6995 -74.1337 158.765 -476.868 PRESSAVG: 122600 -49.7421 16.8688 19.8268 16.8687 73.393 5.10834 19.8267 5.10837 -6.80595 GPRESSAVG: 122600 -49.5266 18.0817 20.6683 18.5492 72.8914 5.67619 19.9036 4.40374 -7.02463 TIMING: 122600 CPU: 382.37, 0.00310617/step Wall: 382.37, 0.00310617/step, 4.20834 hours remaining, 232.386719 MB of memory in use. ENERGY: 122600 4011.2734 20512.9670 14533.6413 243.8206 -202926.9441 2604.6964 0.0000 0.0000 52186.5464 -108833.9990 299.9168 -161020.5454 -108470.4508 299.5318 -209.1823 -186.4836 765608.5011 5.6150 5.4467 PRESSURE: 122800 -463.845 45.4465 149.227 45.4466 -142.31 14.8038 149.228 14.8038 -148.065 GPRESSURE: 122800 -372.209 -27.0572 74.017 44.7841 -179.146 120.992 31.7857 70.3007 -125.088 PRESSAVG: 122800 -10.5689 13.3969 -50.5582 13.3969 -0.499989 -32.9694 -50.5582 -32.9695 21.9827 GPRESSAVG: 122800 -10.6635 13.6476 -52.6758 10.873 -0.339286 -33.469 -51.3521 -28.8735 22.5259 TIMING: 122800 CPU: 382.995, 0.00312444/step Wall: 382.995, 0.00312444/step, 4.23292 hours remaining, 232.386719 MB of memory in use. ENERGY: 122800 4067.6407 20690.1928 14531.1401 261.5258 -203169.4554 3029.7615 0.0000 0.0000 51815.3667 -108773.8278 297.7836 -160589.1945 -108418.3136 298.9728 -251.4069 -225.4813 764232.5202 3.6379 3.8411 PRESSURE: 123000 144.66 69.1213 115.697 69.122 -380.582 267.188 115.697 267.187 -291.413 GPRESSURE: 123000 77.5679 159.476 113.003 10.3515 -217.332 177.052 120.377 81.0893 -321.142 PRESSAVG: 123000 -35.989 38.8432 -22.7991 38.8432 70.6061 2.90707 -22.7992 2.90708 -3.66182 GPRESSAVG: 123000 -35.8392 38.9242 -22.1594 39.2418 71.2356 3.73741 -24.0564 -1.93386 -4.89466 TIMING: 123000 CPU: 383.616, 0.00310145/step Wall: 383.616, 0.00310145/step, 4.2016 hours remaining, 232.386719 MB of memory in use. ENERGY: 123000 4013.9314 20483.3947 14593.3858 255.4090 -203234.0879 3029.0018 0.0000 0.0000 52154.6282 -108704.3371 299.7334 -160858.9654 -108338.6294 299.7310 -175.7785 -153.6354 764044.5547 10.3184 10.1673 PRESSURE: 123200 -229.775 204.137 -152.22 204.138 162.409 116.777 -152.222 116.777 218.193 GPRESSURE: 123200 -132.934 178.278 -150.83 159.211 105.676 175.851 -106.45 72.1231 254.547 PRESSAVG: 123200 -26.281 42.423 30.4615 42.423 1.21738 1.91518 30.4615 1.91508 6.21273 GPRESSAVG: 123200 -25.4699 42.6248 31.689 43.4273 0.417989 0.817123 32.2683 3.7809 6.84423 TIMING: 123200 CPU: 384.24, 0.00312179/step Wall: 384.24, 0.0031218/step, 4.22899 hours remaining, 232.386719 MB of memory in use. ENERGY: 123200 3912.4835 20585.2180 14546.3635 247.3535 -202734.2263 2911.4848 0.0000 0.0000 52107.2490 -108424.0739 299.4611 -160531.3230 -108064.4616 299.3002 50.2761 75.7628 767054.5269 -6.2836 -6.0692 PRESSURE: 123400 -96.8651 -6.57795 45.7601 -6.57803 20.7864 -86.1559 45.7602 -86.1564 -291.893 GPRESSURE: 123400 -172.678 25.7826 76.2608 -79.6325 176.502 -125.177 -49.9174 -63.8672 -292.716 PRESSAVG: 123400 -20.6947 -3.20652 -73.2385 -3.20658 30.3584 -21.87 -73.2385 -21.87 -11.6923 GPRESSAVG: 123400 -22.9338 -5.70149 -73.1735 -1.19418 33.1359 -22.3423 -74.6386 -20.8501 -11.9068 TIMING: 123400 CPU: 384.861, 0.00310629/step Wall: 384.861, 0.00310629/step, 4.20781 hours remaining, 232.386719 MB of memory in use. ENERGY: 123400 4049.8404 20558.1044 14558.2242 248.9259 -202955.8443 3113.4871 0.0000 0.0000 51912.9440 -108514.3184 298.3444 -160427.2624 -108162.2282 299.5276 -122.6574 -96.2969 765212.8956 -0.6762 -0.5682 PRESSURE: 123600 -75.0788 -58.2126 93.4132 -58.2121 -203.485 49.5412 93.4132 49.5414 -186.043 GPRESSURE: 123600 14.7939 -106.939 142.727 -62.0311 -271.594 64.6068 123.149 59.2605 -126.234 PRESSAVG: 123600 -0.299275 60.9318 -19.1913 60.9318 6.69489 -48.494 -19.1914 -48.494 7.06596 GPRESSAVG: 123600 1.20949 60.9651 -20.3963 58.5408 5.45971 -46.7217 -17.5019 -50.8138 7.43965 TIMING: 123600 CPU: 385.484, 0.00311363/step Wall: 385.484, 0.00311363/step, 4.21758 hours remaining, 232.386719 MB of memory in use. ENERGY: 123600 4063.1512 20589.1539 14483.1940 247.1473 -202792.1615 2796.8958 0.0000 0.0000 51996.9275 -108615.6917 298.8271 -160612.6192 -108261.9050 298.6824 -154.8689 -127.6782 765453.4033 4.4872 4.7029 PRESSURE: 123800 235.992 -99.1903 129.323 -99.1907 385.714 155.58 129.322 155.579 289.657 GPRESSURE: 123800 251.221 -38.955 180.263 -138.549 531.07 193.39 109.862 44.1373 194.066 PRESSAVG: 123800 3.05087 -14.0628 -2.77002 -14.0628 -29.631 5.26044 -2.76999 5.26039 -4.06272 GPRESSAVG: 123800 2.90279 -13.3839 -1.96301 -13.2041 -29.9869 4.6675 -3.39139 3.87155 -3.3441 TIMING: 123800 CPU: 386.106, 0.00310855/step Wall: 386.106, 0.00310855/step, 4.21054 hours remaining, 232.386719 MB of memory in use. ENERGY: 123800 4050.2695 20445.7373 14567.6327 251.1874 -203224.9077 3036.4502 0.0000 0.0000 52035.8524 -108837.7782 299.0508 -160873.6306 -108468.0602 298.8429 303.7878 325.4523 762997.8588 -10.2143 -10.1427 PRESSURE: 124000 100.329 -0.894065 -400.686 -0.894614 101.897 86.8156 -400.685 86.8162 -433.843 GPRESSURE: 124000 119.404 9.76796 -362.743 30.5494 -10.4612 147.74 -301.143 96.2146 -258.482 PRESSAVG: 124000 42.0408 -42.7172 -17.7383 -42.7171 -41.5937 45.1518 -17.7383 45.1518 11.3334 GPRESSAVG: 124000 41.9496 -41.3348 -18.1853 -44.0811 -41.3482 45.7542 -17.1698 47.4601 11.8833 TIMING: 124000 CPU: 386.728, 0.00310968/step Wall: 386.728, 0.00310968/step, 4.2119 hours remaining, 232.386719 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: 124000 4007.9294 20534.7038 14518.6496 239.9885 -203426.9693 3244.5851 0.0000 0.0000 52283.0211 -108598.0920 300.4712 -160881.1131 -108246.7507 298.9015 -77.2056 -49.8465 763570.2227 3.9268 4.1616 PRESSURE: 124200 -30.6993 -37.2212 82.1394 -37.221 -32.4041 -99.3523 82.1397 -99.3523 137.761 GPRESSURE: 124200 -2.81667 -26.7761 154.27 -93.9271 10.3174 -180.352 36.0486 -154.308 160.413 PRESSAVG: 124200 4.29846 -47.8729 19.5716 -47.8729 -10.3275 9.0143 19.5715 9.01429 -8.80741 GPRESSAVG: 124200 3.55744 -48.853 20.3091 -47.52 -9.10518 8.96764 19.2389 9.22722 -9.05924 TIMING: 124200 CPU: 387.347, 0.00309621/step Wall: 387.347, 0.00309621/step, 4.19347 hours remaining, 232.386719 MB of memory in use. ENERGY: 124200 4082.3349 20443.4377 14540.2092 251.0157 -202867.9509 3044.2766 0.0000 0.0000 51843.1177 -108663.5590 297.9431 -160506.6767 -108310.6110 299.5466 24.8860 55.9713 763990.0590 -4.9455 -4.8690 LDB: ============= START OF LOAD BALANCING ============== 399.824 LDB: ============== END OF LOAD BALANCING =============== 399.825 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 399.826 LDB: ============= START OF LOAD BALANCING ============== 400.136 LDB: Largest compute 7052 load 0.029882 is 15.4% of average load 0.194554 LDB: Average compute 0.004375 is 2.2% of average load 0.194554 LDB: TIME 400.14 LOAD: AVG 0.194554 MAX 0.214474 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.16 MB LDB: TIME 400.14 LOAD: AVG 0.194554 MAX 0.214474 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.164 MB LDB: TIME 400.14 LOAD: AVG 0.194554 MAX 0.214474 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.164 MB LDB: ============== END OF LOAD BALANCING =============== 400.142 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 400.147 PRESSURE: 124400 -218.588 127.369 -171.709 127.368 -150.117 261.177 -171.708 261.176 -280.618 GPRESSURE: 124400 -245.731 105.566 -122.412 -9.18266 -122.198 222.919 -101.648 262.159 -177.264 PRESSAVG: 124400 -10.5593 2.15926 39.5697 2.15925 5.05594 35.8686 39.5698 35.8685 17.1401 GPRESSAVG: 124400 -8.98968 1.76595 41.4229 2.16183 3.6489 34.5844 40.6246 36.1683 17.1755 TIMING: 124400 CPU: 387.981, 0.0031713/step Wall: 387.981, 0.0031713/step, 4.29499 hours remaining, 233.156250 MB of memory in use. ENERGY: 124400 4042.0475 20669.8792 14527.1952 237.8783 -202859.6780 2770.9679 0.0000 0.0000 51921.5266 -108690.1834 298.3937 -160611.7100 -108333.4579 299.4094 -216.4410 -181.7308 765059.7693 3.8789 3.9449 PRESSURE: 124600 -210.912 -79.4123 130.95 -79.4127 220.219 -83.6091 130.949 -83.6086 -119.868 GPRESSURE: 124600 -117.574 -74.2158 93.1079 -131.73 249.599 -9.38542 101.162 -51.3618 -168.647 PRESSAVG: 124600 -47.538 -29.9164 3.71428 -29.9164 57.9465 75.7506 3.71432 75.7506 -18.1133 GPRESSAVG: 124600 -47.3136 -29.8676 2.26302 -31.5805 59.1122 76.1788 3.98139 74.5054 -19.3157 TIMING: 124600 CPU: 388.604, 0.00311518/step Wall: 388.604, 0.00311519/step, 4.21883 hours remaining, 233.359375 MB of memory in use. ENERGY: 124600 3995.7091 20501.4989 14469.7976 250.7194 -202698.6778 2768.8246 0.0000 0.0000 52056.8931 -108655.2351 299.1717 -160712.1282 -108301.4245 298.8726 -36.8536 -12.2074 764622.7356 -2.5683 -2.5057 PRESSURE: 124800 -42.5388 13.082 82.362 13.0812 -107.263 79.852 82.3624 79.8517 -293.375 GPRESSURE: 124800 15.2623 24.7657 134.238 -23.689 -36.8966 144.798 -21.0771 106.649 -359.96 PRESSAVG: 124800 -25.7843 -20.937 34.0788 -20.9369 -4.31424 18.6419 34.0787 18.642 12.0553 GPRESSAVG: 124800 -26.6426 -21.3636 32.7125 -18.338 -4.14756 19.022 33.4212 18.1032 12.2251 TIMING: 124800 CPU: 389.228, 0.00312014/step Wall: 389.228, 0.00312014/step, 4.22537 hours remaining, 233.398438 MB of memory in use. ENERGY: 124800 4047.7331 20685.4389 14444.5080 247.3526 -202892.5578 2731.1031 0.0000 0.0000 51706.5121 -109029.9100 297.1580 -160736.4221 -108678.5486 299.2100 -147.7258 -127.1980 765835.7625 -6.0144 -6.1884 PRESSURE: 125000 -186.527 -27.0397 139.134 -27.0405 -253.269 208.909 139.135 208.909 -287.872 GPRESSURE: 125000 -159.489 31.9724 88.8503 -80.9353 -266.821 154.673 143.255 331.336 -205.539 PRESSAVG: 125000 -12.7761 -5.75373 -9.5375 -5.75379 38.8142 3.85305 -9.53751 3.85308 0.727367 GPRESSAVG: 125000 -12.3848 -5.23161 -8.69816 -6.97963 37.5137 3.74544 -9.96468 4.21643 1.99584 TIMING: 125000 CPU: 389.851, 0.00311338/step Wall: 389.851, 0.00311338/step, 4.21604 hours remaining, 233.398438 MB of memory in use. ENERGY: 125000 4075.0663 20522.7851 14523.3561 259.0769 -202542.4352 2608.3410 0.0000 0.0000 51857.2254 -108696.5844 298.0242 -160553.8097 -108328.0091 299.1416 -242.5560 -210.6160 767295.6803 8.9218 9.0416 PRESSURE: 125200 -412.734 19.0367 43.9691 19.0361 -211.556 152.588 43.9695 152.588 -360.262 GPRESSURE: 125200 -421.946 -41.6598 -30.6553 97.0141 -142.23 95.5565 0.523863 216.27 -335.593 PRESSAVG: 125200 -18.556 -28.2617 48.4874 -28.2618 5.74824 15.7221 48.4874 15.7221 -12.1823 GPRESSAVG: 125200 -17.778 -26.5972 46.6722 -27.911 4.83627 17.3442 49.8067 15.5673 -12.5022 TIMING: 125200 CPU: 390.472, 0.00310408/step Wall: 390.472, 0.00310408/step, 4.20326 hours remaining, 233.601562 MB of memory in use. ENERGY: 125200 4051.2238 20564.4575 14524.6693 274.5172 -203179.1274 3122.1514 0.0000 0.0000 51853.3664 -108788.7419 298.0020 -160642.1082 -108421.2422 298.7963 -328.1836 -299.9227 766481.3921 -8.3300 -8.4813 PRESSURE: 125400 -381.297 -183.967 1.68736 -183.967 283.606 7.45833 1.68734 7.45778 -56.7392 GPRESSURE: 125400 -316.391 -154.419 41.1719 -250.111 294.205 -2.95657 0.239944 102.748 -72.1117 PRESSAVG: 125400 -28.7441 -0.456781 25.9113 -0.456815 51.2751 7.1484 25.9114 7.14836 -8.77934 GPRESSAVG: 125400 -29.5876 -1.42987 27.8574 -0.766006 52.82 5.25214 24.7249 8.33738 -9.32558 TIMING: 125400 CPU: 391.094, 0.00311172/step Wall: 391.094, 0.00311172/step, 4.21345 hours remaining, 233.601562 MB of memory in use. ENERGY: 125400 4000.0308 20605.2877 14473.5852 254.4140 -202730.1579 2520.9268 0.0000 0.0000 52182.2774 -108693.6360 299.8923 -160875.9134 -108329.7500 299.2269 -51.4766 -31.4326 765506.6367 4.5839 4.6356 PRESSURE: 125600 3.28969 -2.98174 88.5258 -2.98119 97.5755 161.126 88.5255 161.126 -79.8132 GPRESSURE: 125600 27.5923 -27.4239 60.7462 21.395 95.2086 269.613 145.038 137.504 -17.0118 PRESSAVG: 125600 -63.9018 -59.7713 56.6161 -59.7713 81.61 11.4446 56.6162 11.4446 -12.6664 GPRESSAVG: 125600 -64.8408 -58.9263 56.8725 -60.1373 80.6851 11.8534 56.7035 11.1825 -10.6075 TIMING: 125600 CPU: 391.723, 0.00314495/step Wall: 391.723, 0.00314495/step, 4.25827 hours remaining, 233.601562 MB of memory in use. ENERGY: 125600 4020.7922 20527.6214 14526.9721 228.4376 -203527.3661 3315.0306 0.0000 0.0000 52164.4256 -108744.0866 299.7897 -160908.5122 -108380.6333 298.7475 7.0173 35.2630 763575.5535 1.6806 1.7456 PRESSURE: 125800 -76.7536 67.8966 -13.3564 67.8959 -41.8441 10.8685 -13.356 10.8684 -322.169 GPRESSURE: 125800 -25.9627 26.269 -17.7116 83.2345 -68.8607 -7.42452 5.48219 -72.2928 -251.088 PRESSAVG: 125800 -50.6273 -68.0841 38.1938 -68.0842 84.7786 40.3733 38.1939 40.3732 -8.62476 GPRESSAVG: 125800 -50.7734 -71.1956 37.3387 -67.3334 84.6532 40.5772 40.3372 38.6644 -8.1792 TIMING: 125800 CPU: 392.348, 0.00312347/step Wall: 392.348, 0.00312347/step, 4.229 hours remaining, 233.589844 MB of memory in use. ENERGY: 125800 4064.2376 20666.2913 14487.8620 261.7127 -203612.5082 3064.7560 0.0000 0.0000 52301.2141 -108766.4345 300.5758 -161067.6486 -108410.2862 299.5040 -146.9223 -115.3037 763621.1379 8.5088 8.5669 PRESSURE: 126000 23.5682 -304.12 -193.133 -304.12 143.801 -62.8373 -193.133 -62.8368 -73.8393 GPRESSURE: 126000 164.794 -330.28 -248.546 -194.068 105.952 -7.53926 -185.893 -62.4526 -89.5441 PRESSAVG: 126000 -23.6902 -9.84979 11.8064 -9.84974 -15.1422 28.3143 11.8064 28.3144 -16.3791 GPRESSAVG: 126000 -22.7276 -6.99921 13.318 -11.7614 -15.4132 28.1319 12.1605 30.4491 -17.1494 TIMING: 126000 CPU: 392.977, 0.00314702/step Wall: 392.977, 0.00314702/step, 4.26071 hours remaining, 233.589844 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: 126000 4089.0324 20404.8022 14536.0639 232.9174 -203149.4843 2976.3410 0.0000 0.0000 52367.4988 -108542.8286 300.9567 -160910.3274 -108183.5519 299.5043 31.1766 60.4007 764218.3874 -18.4038 -18.4301 PRESSURE: 126200 430.376 -144.499 -110.911 -144.5 137.723 -44.8776 -110.911 -44.8771 158.131 GPRESSURE: 126200 449.521 -173.017 -267.723 -214.847 199.103 7.73717 -68.2566 74.0114 127.096 PRESSAVG: 126200 -45.002 -34.8086 21.5492 -34.8086 56.7952 58.2942 21.5492 58.2942 37.2368 GPRESSAVG: 126200 -47.0274 -35.1664 22.0764 -32.6753 58.7478 59.2033 18.6385 56.6969 37.1016 TIMING: 126200 CPU: 393.61, 0.00316238/step Wall: 393.61, 0.00316238/step, 4.28134 hours remaining, 233.589844 MB of memory in use. ENERGY: 126200 3960.6991 20671.5508 14429.5735 243.1664 -203408.8481 3382.9063 0.0000 0.0000 52034.3154 -108686.6365 299.0419 -160720.9519 -108337.8630 299.3256 242.0766 258.5732 763466.4250 16.3433 16.2740 PRESSURE: 126400 -152.209 -138.391 75.4262 -138.391 90.0827 -55.7367 75.4257 -55.7362 -522.953 GPRESSURE: 126400 -100.312 -23.3482 57.8513 -150.444 94.0153 -46.3668 2.94639 91.8431 -505.87 PRESSAVG: 126400 -35.7965 -23.1286 1.9388 -23.1286 15.5424 20.3185 1.93876 20.3185 1.73788 GPRESSAVG: 126400 -33.5411 -23.6012 1.13042 -23.8365 13.6775 19.399 1.164 22.4128 1.79086 TIMING: 126400 CPU: 394.236, 0.0031305/step Wall: 394.236, 0.0031305/step, 4.238 hours remaining, 233.601562 MB of memory in use. ENERGY: 126400 4004.0197 20620.9944 14474.8738 248.7229 -202988.2257 2907.5977 0.0000 0.0000 52222.3089 -108509.7083 300.1223 -160732.0172 -108146.1772 299.7606 -195.0263 -170.7222 764384.9534 -6.1721 -6.0242 PRESSURE: 126600 -155.815 -191.548 -99.3468 -191.547 184.704 77.7134 -99.3467 77.7152 180.43 GPRESSURE: 126600 -70.925 -366.632 -56.1929 -218.976 193.757 37.3677 17.6464 150.643 175.912 PRESSAVG: 126600 -28.7712 23.7993 -21.2377 23.7993 31.2602 38.6987 -21.2377 38.6988 0.1127 GPRESSAVG: 126600 -29.6913 24.5721 -22.54 22.8774 32.2318 37.4396 -20.1375 37.9741 0.482862 TIMING: 126600 CPU: 394.867, 0.00315563/step Wall: 394.867, 0.00315563/step, 4.27185 hours remaining, 233.601562 MB of memory in use. ENERGY: 126600 3996.7667 20768.4958 14554.0818 257.3419 -202781.2959 2895.8282 0.0000 0.0000 51920.1868 -108388.5947 298.3860 -160308.7814 -108030.5980 300.1176 69.7732 99.5814 763344.8495 0.8672 1.0078 PRESSURE: 126800 -263.784 185.481 52.8001 185.481 140.504 -47.4795 52.8009 -47.4795 224.801 GPRESSURE: 126800 -160.274 181.892 97.3636 186.598 130.779 -79.4963 169.05 13.7294 209.713 PRESSAVG: 126800 0.142166 -30.497 -30.7466 -30.4969 5.41082 -23.4407 -30.7467 -23.4407 27.0564 GPRESSAVG: 126800 1.12854 -32.1244 -30.6953 -29.5065 5.39464 -21.8584 -31.4086 -23.5501 26.9134 TIMING: 126800 CPU: 395.496, 0.0031463/step Wall: 395.496, 0.0031463/step, 4.25904 hours remaining, 233.601562 MB of memory in use. ENERGY: 126800 4035.9857 20546.3008 14521.7090 259.3419 -203120.2396 3046.8243 0.0000 0.0000 52256.2216 -108453.8563 300.3172 -160710.0779 -108078.0543 299.8183 33.8404 60.0726 765015.6942 10.8698 11.1455 PRESSURE: 127000 -67.5811 96.3386 113.247 96.3386 -19.6687 137.008 113.247 137.008 397.338 GPRESSURE: 127000 -47.0674 32.2938 190.973 108.445 -23.2888 152.524 -9.13916 148.287 454.477 PRESSAVG: 127000 -6.65386 -18.7847 37.2935 -18.7846 42.4465 50.9777 37.2936 50.9778 13.6747 GPRESSAVG: 127000 -7.31239 -19.7825 39.048 -19.5288 43.0426 51.224 39.0776 50.5491 13.6111 TIMING: 127000 CPU: 396.125, 0.00314312/step Wall: 396.125, 0.00314312/step, 4.25457 hours remaining, 233.601562 MB of memory in use. ENERGY: 127000 3929.8841 20655.1085 14469.2897 237.9718 -203379.1638 3069.4279 0.0000 0.0000 52235.6491 -108781.8327 300.1990 -161017.4818 -108411.4410 299.3443 103.3629 128.0402 765199.1622 16.4891 16.4471 PRESSURE: 127200 -215.773 -193.553 9.24263 -193.553 -199.846 -33.6896 9.24254 -33.6885 32.7216 GPRESSURE: 127200 -130.667 -132.796 -40.97 -245.033 -169.036 95.2818 51.7709 -89.0067 18.6907 PRESSAVG: 127200 -44.6833 -17.4203 2.98332 -17.4204 46.7974 -8.18056 2.98332 -8.18055 -9.02022 GPRESSAVG: 127200 -43.2281 -17.12 0.53393 -16.4291 45.7567 -6.75343 3.55768 -9.19101 -9.36112 TIMING: 127200 CPU: 396.748, 0.00311504/step Wall: 396.748, 0.00311504/step, 4.21638 hours remaining, 233.601562 MB of memory in use. ENERGY: 127200 3971.6877 20558.5843 14500.7495 246.0014 -202990.9448 3154.9588 0.0000 0.0000 51852.3013 -108706.6617 297.9959 -160558.9630 -108358.0324 298.9305 -127.6326 -93.6707 764294.4877 -2.3021 -2.2775 PRESSURE: 127400 -153.293 2.17032 -65.3574 2.17052 -257.454 13.6074 -65.3575 13.6067 -206.03 GPRESSURE: 127400 -124.267 -151.159 -45.8237 -14.8493 -194.449 -33.9602 -29.1574 -4.49133 -216.709 PRESSAVG: 127400 -20.1877 -31.5082 -25.8938 -31.5082 22.343 -20.8827 -25.8937 -20.8827 3.09708 GPRESSAVG: 127400 -21.1203 -30.395 -23.8901 -31.3791 23.9092 -22.4818 -25.1589 -20.2117 3.21329 TIMING: 127400 CPU: 397.372, 0.00311979/step Wall: 397.372, 0.00311979/step, 4.22263 hours remaining, 233.601562 MB of memory in use. ENERGY: 127400 4017.6255 20570.3347 14461.9115 250.9472 -202823.3992 2928.1475 0.0000 0.0000 52044.4696 -108549.9630 299.1003 -160594.4327 -108179.3804 299.3367 -205.5924 -178.4753 764890.5293 1.7508 2.0007 PRESSURE: 127600 -66.0821 -182.167 -51.6094 -182.167 19.2402 113.003 -51.6096 113.003 -161.056 GPRESSURE: 127600 10.5676 -20.5012 -187.919 -260.331 -12.557 103.011 -47.9042 137.872 -129.043 PRESSAVG: 127600 -37.497 -44.6318 -29.4108 -44.6318 21.5168 50.8428 -29.4108 50.8427 21.3284 GPRESSAVG: 127600 -38.469 -45.6361 -30.7437 -44.6758 20.7604 51.9326 -31.4307 48.8351 22.7145 TIMING: 127600 CPU: 397.994, 0.00311421/step Wall: 397.994, 0.00311421/step, 4.21491 hours remaining, 233.601562 MB of memory in use. ENERGY: 127600 3919.6167 20630.8177 14494.7211 249.8768 -203002.1990 2871.6501 0.0000 0.0000 52303.9972 -108531.5194 300.5918 -160835.5166 -108163.7570 299.6129 -69.2993 -43.6776 765144.9194 1.7827 1.6686 PRESSURE: 127800 32.0311 -94.7214 -28.3776 -94.7209 -202.24 -175.555 -28.3774 -175.555 -263.204 GPRESSURE: 127800 34.5038 -4.34129 -3.33513 -12.2427 -211.421 -162.623 -6.35132 -114.2 -201.305 PRESSAVG: 127800 -27.0617 -31.5443 -31.1811 -31.5443 85.6624 -29.3654 -31.1811 -29.3655 15.2361 GPRESSAVG: 127800 -26.2218 -29.8718 -32.3781 -32.1559 86.0005 -32.4798 -29.5066 -26.585 14.378 TIMING: 127800 CPU: 398.618, 0.00311564/step Wall: 398.618, 0.00311564/step, 4.21667 hours remaining, 233.601562 MB of memory in use. ENERGY: 127800 4028.5499 20477.8734 14425.7656 266.7221 -202838.5633 2804.2723 0.0000 0.0000 52396.0430 -108439.3371 301.1208 -160835.3801 -108062.1438 300.0683 -144.4709 -126.0740 766151.3140 24.6123 24.7189 PRESSURE: 128000 142.808 119.448 -203.218 119.447 -272.104 183.355 -203.218 183.354 15.1366 GPRESSURE: 128000 247.984 53.7457 -167.481 218.891 -297.783 180.108 -116.877 113.605 23.9284 PRESSAVG: 128000 4.18504 -22.0926 42.5135 -22.0926 41.0849 -57.5716 42.5135 -57.5716 4.51645 GPRESSAVG: 128000 4.89033 -23.6926 43.0029 -21.5031 40.4754 -56.2576 40.7507 -59.5581 4.0559 TIMING: 128000 CPU: 399.242, 0.00312416/step Wall: 399.242, 0.00312416/step, 4.22803 hours remaining, 233.601562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 128000 4000.0433 20508.4088 14420.8511 243.4267 -202526.8873 2722.8598 0.0000 0.0000 51851.0443 -108780.2534 297.9887 -160631.2977 -108422.1115 299.1726 -38.0531 -8.6235 765364.6115 16.5955 16.4739 PRESSURE: 128200 32.4579 -36.1303 170.509 -36.1296 -13.1734 -30.9171 170.508 -30.918 -175.664 GPRESSURE: 128200 54.1906 -11.4778 52.9262 -35.9447 81.1402 12.1999 208.8 -46.8957 -196.224 PRESSAVG: 128200 -36.05 -56.998 2.72252 -56.9979 -19.4163 -56.1342 2.72256 -56.1342 -9.40644 GPRESSAVG: 128200 -35.7526 -55.564 4.00159 -58.0438 -19.287 -56.7649 3.79239 -53.9851 -9.40725 TIMING: 128200 CPU: 399.868, 0.00312706/step Wall: 399.868, 0.00312706/step, 4.23178 hours remaining, 233.601562 MB of memory in use. ENERGY: 128200 3944.7412 20428.2397 14514.9014 261.2420 -202730.4343 2789.0148 0.0000 0.0000 51985.3365 -108806.9586 298.7604 -160792.2951 -108452.3759 299.0159 -52.1265 -20.2976 763443.2754 -21.6243 -21.4823 LDB: ============= START OF LOAD BALANCING ============== 412.345 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 412.345 LDB: =============== DONE WITH MIGRATION ================ 412.347 LDB: ============= START OF LOAD BALANCING ============== 412.665 LDB: Largest compute 7052 load 0.030882 is 15.9% of average load 0.194595 LDB: Average compute 0.004386 is 2.3% of average load 0.194595 LDB: TIME 412.669 LOAD: AVG 0.194595 MAX 0.214868 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.18 MB LDB: TIME 412.669 LOAD: AVG 0.194595 MAX 0.214868 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.18 MB LDB: TIME 412.669 LOAD: AVG 0.194595 MAX 0.214868 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.18 MB LDB: ============== END OF LOAD BALANCING =============== 412.671 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 412.676 PRESSURE: 128400 -136.622 113.547 -69.17 113.547 -232.293 32.1559 -69.1695 32.1564 329.545 GPRESSURE: 128400 -160.221 103.807 -103.961 193.019 -165.33 50.8076 -54.3645 -16.4994 379.463 PRESSAVG: 128400 -27.9848 -46.9756 19.9956 -46.9756 45.4183 -27.7572 19.9955 -27.7572 1.56659 GPRESSAVG: 128400 -28.8204 -46.8577 20.2591 -45.101 46.7583 -25.9473 19.3705 -31.1277 1.57199 TIMING: 128400 CPU: 400.51, 0.00321133/step Wall: 400.51, 0.00321133/step, 4.34564 hours remaining, 234.371094 MB of memory in use. ENERGY: 128400 3885.8376 20366.8485 14554.5513 246.8270 -202654.0306 2897.8345 0.0000 0.0000 52183.2228 -108518.9088 299.8977 -160702.1316 -108144.5468 299.2486 -13.1233 17.9705 763774.0358 6.3334 6.5033 PRESSURE: 128600 -310.722 57.3807 -29.5111 57.3797 -241.836 -23.9327 -29.5113 -23.933 -484.237 GPRESSURE: 128600 -258.076 22.6953 -7.5378 106.146 -227.976 -80.3264 -23.3601 -44.2704 -478.47 PRESSAVG: 128600 -31.8416 -33.7399 -5.70195 -33.7399 49.6466 -27.5488 -5.70189 -27.5488 12.5385 GPRESSAVG: 128600 -30.579 -34.2577 -7.36217 -36.7302 49.0926 -27.1755 -6.48327 -25.5196 12.2754 TIMING: 128600 CPU: 401.148, 0.00318787/step Wall: 401.148, 0.00318787/step, 4.31372 hours remaining, 234.371094 MB of memory in use. ENERGY: 128600 4072.8404 20462.3287 14549.2893 246.4368 -202591.8210 2589.4291 0.0000 0.0000 52245.0262 -108426.4704 300.2529 -160671.4966 -108071.9179 299.2601 -345.5982 -321.5075 767043.7163 10.1145 10.2630 PRESSURE: 128800 69.3382 -14.4385 -231.991 -14.4383 -227.345 -157.541 -231.991 -157.54 -161.715 GPRESSURE: 128800 116.657 23.6564 -257.538 7.58613 -275.496 -179.205 -167.294 -81.8024 -89.6069 PRESSAVG: 128800 38.0785 -58.8666 -13.01 -58.8665 -11.6777 -33.9959 -13.01 -33.9959 -7.81973 GPRESSAVG: 128800 36.5087 -59.9274 -11.4941 -54.901 -11.4742 -35.0202 -13.1815 -33.8803 -6.23011 TIMING: 128800 CPU: 401.779, 0.00315764/step Wall: 401.779, 0.00315764/step, 4.27263 hours remaining, 234.371094 MB of memory in use. ENERGY: 128800 3996.1115 20521.6260 14491.2764 256.1133 -202762.6538 2854.7248 0.0000 0.0000 52118.8446 -108523.9571 299.5277 -160642.8017 -108159.7681 299.5962 -106.5741 -82.8152 765211.9418 6.1937 6.2681 PRESSURE: 129000 -288.604 -390.686 -74.5627 -390.685 -411.045 -83.8341 -74.5637 -83.8333 -331.818 GPRESSURE: 129000 -236.981 -391.616 -26.1646 -248.705 -449.124 -68.5409 -109.002 -88.2602 -253.06 PRESSAVG: 129000 -27.8374 -37.0197 16.8285 -37.0197 -14.0483 -40.4776 16.8285 -40.4776 20.994 GPRESSAVG: 129000 -26.2447 -36.8988 16.795 -38.5208 -15.0288 -40.3059 19.4412 -38.7222 20.1767 TIMING: 129000 CPU: 402.409, 0.0031481/step Wall: 402.409, 0.0031481/step, 4.25955 hours remaining, 234.425781 MB of memory in use. ENERGY: 129000 3997.1245 20489.1414 14494.5467 252.2678 -202682.2009 2867.8158 0.0000 0.0000 51957.1035 -108624.2012 298.5982 -160581.3047 -108264.6036 299.0825 -343.8224 -313.0548 766288.8605 -6.9639 -7.0323 PRESSURE: 129200 -202.169 -160.17 -21.3269 -160.17 -101.297 105.079 -21.3269 105.08 368.57 GPRESSURE: 129200 -178.74 -71.6736 33.2023 -214.437 -114.311 119.468 -177.61 100.513 431.477 PRESSAVG: 129200 46.637 -26.2952 -15.5592 -26.2952 0.544875 22.0188 -15.5593 22.0189 -2.23013 GPRESSAVG: 129200 45.93 -25.1715 -15.0135 -27.5655 1.30292 21.3473 -17.3005 21.7532 -2.08439 TIMING: 129200 CPU: 403.038, 0.00314587/step Wall: 403.038, 0.00314587/step, 4.25637 hours remaining, 234.425781 MB of memory in use. ENERGY: 129200 3992.9033 20504.6643 14500.1014 245.5313 -202914.2166 2883.0199 0.0000 0.0000 52141.6978 -108646.2986 299.6591 -160787.9964 -108286.5131 299.2737 21.7015 46.1418 764161.6480 14.9839 15.0495 PRESSURE: 129400 -352.651 -152.72 33.9882 -152.721 263.707 66.5197 33.9885 66.52 20.3646 GPRESSURE: 129400 -360.054 -321.666 -51.1966 -121.51 238.75 63.2494 -55.562 89.3676 142.445 PRESSAVG: 129400 0.493996 -14.7794 18.7048 -14.7794 -0.025458 -7.56194 18.7049 -7.56197 0.556206 GPRESSAVG: 129400 0.188591 -14.6362 20.0042 -15.4872 0.600864 -6.91617 18.283 -8.02872 0.752782 TIMING: 129400 CPU: 403.662, 0.0031209/step Wall: 403.662, 0.0031209/step, 4.2224 hours remaining, 234.492188 MB of memory in use. ENERGY: 129400 3960.3134 20687.6240 14491.4594 260.1901 -202871.8463 2737.6536 0.0000 0.0000 52031.0345 -108703.5712 299.0231 -160734.6058 -108343.1851 299.2302 -22.8597 7.0470 765528.1184 0.3416 0.5141 PRESSURE: 129600 61.1948 242.872 105.781 242.872 191.914 -10.6549 105.781 -10.6552 254.949 GPRESSURE: 129600 133.434 170.654 90.3457 157.964 222.865 -16.0629 153.218 108.581 251.832 PRESSAVG: 129600 -67.7397 -20.5392 -41.0276 -20.5391 46.0514 -5.5085 -41.0276 -5.50847 -7.67059 GPRESSAVG: 129600 -67.4847 -21.598 -42.1938 -21.663 45.6499 -8.84159 -40.4439 -3.31558 -8.12517 TIMING: 129600 CPU: 404.291, 0.00314651/step Wall: 404.291, 0.00314651/step, 4.25688 hours remaining, 234.492188 MB of memory in use. ENERGY: 129600 4025.2047 20284.5852 14519.2501 263.7864 -202949.3063 3029.2496 0.0000 0.0000 52064.5827 -108762.6475 299.2159 -160827.2303 -108394.5207 298.8313 169.3528 202.7101 764368.0420 -9.7863 -9.9866 PRESSURE: 129800 167.062 27.8025 44.3795 27.8022 -193.105 96.8662 44.3793 96.8666 195.602 GPRESSURE: 129800 169.759 -9.2902 -30.0257 -96.8921 -55.6963 105.677 -55.6814 163.793 138.5 PRESSAVG: 129800 -51.9074 -30.7022 3.13422 -30.7022 54.2242 -53.4699 3.13422 -53.4699 -3.93567 GPRESSAVG: 129800 -50.1213 -30.1231 2.21135 -29.5145 52.9497 -51.178 2.51852 -54.0945 -4.56872 TIMING: 129800 CPU: 404.915, 0.00311768/step Wall: 404.915, 0.00311768/step, 4.2177 hours remaining, 234.492188 MB of memory in use. ENERGY: 129800 3956.0928 20496.8512 14559.5971 254.4666 -202995.6945 2921.5778 0.0000 0.0000 52018.6036 -108788.5054 298.9516 -160807.1090 -108431.4373 299.0070 56.5197 84.1874 762789.4249 -0.5396 -0.5801 PRESSURE: 130000 4.97262 -243.838 -88.5444 -243.839 127.9 -308.381 -88.5444 -308.381 -15.8027 GPRESSURE: 130000 41.642 -331.179 -54.7527 -159.354 168.727 -286.702 -89.9496 -478.009 -14.1504 PRESSAVG: 130000 -2.98428 -65.5711 -44.7856 -65.5711 31.487 10.1102 -44.7856 10.1103 34.1291 GPRESSAVG: 130000 -4.54346 -65.0468 -45.0993 -66.4076 31.9922 10.6002 -43.5352 8.99562 35.0824 TIMING: 130000 CPU: 405.539, 0.0031192/step Wall: 405.539, 0.0031192/step, 4.21958 hours remaining, 234.492188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 130000 3996.5464 20595.6241 14481.1928 256.3901 -202682.8994 2849.9166 0.0000 0.0000 51767.1456 -108736.0838 297.5065 -160503.2294 -108373.2249 298.5392 39.0233 65.4062 766505.2854 20.8772 20.8437 PRESSURE: 130200 -90.3888 -373.827 -117.098 -373.827 5.3093 -58.7154 -117.1 -58.7153 -145.16 GPRESSURE: 130200 -7.23187 -280.333 -104.272 -268.983 86.7168 -44.9635 -51.488 -57.6883 -231.231 PRESSAVG: 130200 -45.2941 -22.9917 10.9669 -22.9916 29.3413 -49.3153 10.9668 -49.3154 11.7363 GPRESSAVG: 130200 -46.5365 -22.9143 10.921 -22.7015 30.9112 -49.5784 12.3255 -49.6808 11.4595 TIMING: 130200 CPU: 406.165, 0.00312976/step Wall: 406.165, 0.00312976/step, 4.2337 hours remaining, 234.492188 MB of memory in use. ENERGY: 130200 3928.4113 20674.4152 14523.2984 259.3321 -202951.4104 2821.5498 0.0000 0.0000 51900.7775 -108843.6261 298.2745 -160744.4036 -108489.1578 298.8146 -76.7466 -50.5821 764913.6244 -1.4055 -1.3886 PRESSURE: 130400 199.157 -160.642 140.671 -160.642 64.2392 255.986 140.67 255.986 53.4309 GPRESSURE: 130400 220.991 -97.0455 91.1148 12.4233 69.7953 351.913 67.1361 215.409 91.8229 PRESSAVG: 130400 -45.617 -17.2057 10.5604 -17.2057 22.6423 61.2634 10.5603 61.2635 -2.81519 GPRESSAVG: 130400 -44.5922 -19.2409 10.0738 -16.4093 20.7828 63.0043 8.59942 60.2053 -1.9768 TIMING: 130400 CPU: 406.789, 0.00312008/step Wall: 406.789, 0.00312008/step, 4.22043 hours remaining, 234.562500 MB of memory in use. ENERGY: 130400 3986.3596 20615.1786 14533.6113 222.5098 -203340.0722 3288.7082 0.0000 0.0000 51873.9258 -108819.7790 298.1202 -160693.7048 -108465.5015 298.9265 105.6089 127.5365 765016.0106 -8.5966 -8.5954 PRESSURE: 130600 -21.1891 16.0399 9.45605 16.04 -278.763 -224.424 9.45609 -224.423 119.195 GPRESSURE: 130600 69.5063 115.946 106.689 -27.8515 -318.929 -156.368 -26.8083 -44.5111 148.808 PRESSAVG: 130600 13.5053 -26.68 76.4856 -26.6799 28.1592 53.6252 76.4856 53.6252 15.4215 GPRESSAVG: 130600 13.7586 -25.7782 77.6872 -27.1365 28.5014 52.9083 74.6814 53.5099 15.0411 TIMING: 130600 CPU: 407.416, 0.00313801/step Wall: 407.416, 0.00313801/step, 4.24451 hours remaining, 234.562500 MB of memory in use. ENERGY: 130600 3922.6299 20627.7594 14533.1264 237.1021 -203389.0801 2972.9848 0.0000 0.0000 52090.4943 -109004.9832 299.3648 -161095.4775 -108656.5214 299.1566 -60.2526 -33.5381 765046.4983 19.0287 19.1004 PRESSURE: 130800 349.117 -98.2958 52.1477 -98.2965 183.699 -164.794 52.1475 -164.795 101.716 GPRESSURE: 130800 353.995 -120.787 148.838 -141.313 201.766 -114.073 37.8303 -240.461 142.278 PRESSAVG: 130800 -18.6968 -72.1335 -11.3451 -72.1336 16.6192 54.624 -11.3451 54.6239 0.760223 GPRESSAVG: 130800 -18.7682 -72.3127 -12.7221 -71.798 16.9701 53.92 -9.64856 54.6051 0.130458 TIMING: 130800 CPU: 408.044, 0.00313764/step Wall: 408.044, 0.00313764/step, 4.24383 hours remaining, 234.562500 MB of memory in use. ENERGY: 130800 3887.6434 20563.3264 14532.6223 240.4646 -203464.9501 3092.3913 0.0000 0.0000 52138.2248 -109010.2773 299.6391 -161148.5021 -108643.0406 299.0258 211.5107 232.6796 765403.0130 -0.4391 -0.5559 PRESSURE: 131000 52.5089 2.28499 145.908 2.28519 -155.084 -110.215 145.908 -110.215 -224.259 GPRESSURE: 131000 61.6336 51.4861 149.508 65.0121 -32.2529 -122.319 124.417 -149.453 -259.267 PRESSAVG: 131000 -3.78885 5.98227 -12.8709 5.98221 -1.12249 12.7355 -12.8709 12.7354 1.7804 GPRESSAVG: 131000 -4.00218 6.13688 -12.2832 5.59071 -1.28925 12.2202 -12.6613 13.7184 2.24431 TIMING: 131000 CPU: 408.669, 0.00312521/step Wall: 408.669, 0.00312521/step, 4.22685 hours remaining, 234.562500 MB of memory in use. ENERGY: 131000 4007.8173 20299.0885 14564.4020 250.6188 -202965.7027 2779.7547 0.0000 0.0000 52033.3455 -109030.6758 299.0364 -161064.0213 -108668.9300 298.7383 -108.9449 -76.6286 765986.8379 -1.0436 -1.0157 PRESSURE: 131200 -411.736 32.8385 -17.3082 32.8391 -200.473 111.009 -17.3087 111.009 17.9405 GPRESSURE: 131200 -491.047 62.9605 83.0257 100.877 -140.888 42.1477 -112.799 26.6621 93.4335 PRESSAVG: 131200 9.84954 4.24251 4.8095 4.24247 -19.0983 56.3679 4.80943 56.3678 4.41215 GPRESSAVG: 131200 8.28451 4.74497 5.26813 4.89506 -17.7994 56.6834 2.90674 54.6247 5.09715 TIMING: 131200 CPU: 409.294, 0.00312392/step Wall: 409.294, 0.00312392/step, 4.22493 hours remaining, 234.562500 MB of memory in use. ENERGY: 131200 3904.3909 20521.5189 14516.1477 235.3678 -202643.5774 2681.7059 0.0000 0.0000 51764.3032 -109020.1430 297.4902 -160784.4462 -108657.5322 298.1996 -198.0895 -179.5004 766948.8216 -1.6122 -1.4726 PRESSURE: 131400 -180.41 -104.683 -109.573 -104.683 136.702 83.4846 -109.573 83.4838 75.0402 GPRESSURE: 131400 -128.518 31.8156 -159.56 -89.7098 153.562 107.098 -52.9043 107.909 88.7649 PRESSAVG: 131400 14.0698 -26.4419 13.8145 -26.4419 28.7469 8.62444 13.8147 8.62437 14.8201 GPRESSAVG: 131400 15.5553 -26.5232 15.076 -26.0245 28.5127 9.65296 16.2058 9.33771 13.6908 TIMING: 131400 CPU: 409.923, 0.00314385/step Wall: 409.923, 0.00314385/step, 4.2517 hours remaining, 234.562500 MB of memory in use. ENERGY: 131400 3935.5349 20683.4484 14555.3530 247.8454 -203438.7061 3148.1496 0.0000 0.0000 51848.0311 -109020.3436 297.9713 -160868.3747 -108654.0340 298.8537 10.4439 37.9360 763060.9691 19.2123 19.2529 PRESSURE: 131600 51.8488 20.5805 -5.1861 20.5801 -192.623 -93.4596 -5.186 -93.4593 -123.914 GPRESSURE: 131600 67.5828 -45.3957 129.895 -90.7267 -141.259 -177.803 -113.032 -138.623 -77.1122 PRESSAVG: 131600 -8.99604 -22.1034 12.9104 -22.1034 -16.5342 -3.84195 12.9103 -3.84201 13.6035 GPRESSAVG: 131600 -9.56846 -22.2005 11.7852 -22.3051 -15.7581 -4.60776 11.1666 -3.47364 13.0795 TIMING: 131600 CPU: 410.548, 0.00312669/step Wall: 410.548, 0.00312669/step, 4.22833 hours remaining, 234.562500 MB of memory in use. ENERGY: 131600 3954.5126 20678.0345 14470.7280 244.6215 -203077.5488 2784.5855 0.0000 0.0000 52169.4503 -108775.6164 299.8185 -160945.0667 -108415.1532 299.1856 -88.2295 -50.2629 764620.3501 -3.9756 -4.0823 PRESSURE: 131800 48.8888 -326.968 -95.0895 -326.967 317.607 1.38783 -95.0885 1.38786 101.233 GPRESSURE: 131800 140.189 -276.087 -33.9315 -299.024 372.643 113.01 -238.158 -19.122 48.6678 PRESSAVG: 131800 -40.6015 -44.8201 7.72518 -44.8201 16.4187 -45.483 7.72521 -45.4831 10.2619 GPRESSAVG: 131800 -39.9687 -42.7944 10.219 -45.9618 14.2909 -44.3617 8.36784 -46.0966 11.9016 TIMING: 131800 CPU: 411.178, 0.00314998/step Wall: 411.178, 0.00314998/step, 4.25965 hours remaining, 234.562500 MB of memory in use. ENERGY: 131800 3996.9520 20465.8606 14434.7024 245.2647 -203242.7345 3051.5114 0.0000 0.0000 52044.4644 -109003.9789 299.1003 -161048.4433 -108640.1544 298.8248 155.9097 187.1664 764835.8898 -4.6403 -4.5921 PRESSURE: 132000 -153.167 55.5944 -104.085 55.5945 -220.509 98.6532 -104.085 98.6515 12.9169 GPRESSURE: 132000 -201.164 99.1094 -123.286 49.4443 -128.878 127.637 -77.0427 9.22773 21.7513 PRESSAVG: 132000 -59.291 -93.3468 -40.6926 -93.3469 -4.07965 -23.4732 -40.6926 -23.4732 10.7033 GPRESSAVG: 132000 -59.9994 -93.6826 -42.6179 -93.8197 -2.21591 -24.0361 -40.2968 -23.4688 9.21278 TIMING: 132000 CPU: 411.806, 0.00313986/step Wall: 411.806, 0.00313986/step, 4.24579 hours remaining, 234.562500 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: 132000 3967.0134 20395.5340 14381.1435 240.5637 -203049.8602 2805.9576 0.0000 0.0000 52178.4215 -109081.2265 299.8701 -161259.6480 -108711.0778 299.0218 -120.2530 -102.7634 764740.5817 -17.5558 -17.6675 PRESSURE: 132200 221.216 -280.97 -155.572 -280.969 -259.552 -230.351 -155.572 -230.351 442.034 GPRESSURE: 132200 202.563 -329.443 -102.642 -172.78 -180.429 -214.9 -84.1253 -129.963 468.585 PRESSAVG: 132200 3.21205 -60.6645 -21.0727 -60.6645 -18.3056 -35.8181 -21.0727 -35.8181 -22.3116 GPRESSAVG: 132200 2.63714 -63.7273 -20.9912 -58.5972 -18.9127 -35.8082 -21.082 -33.8151 -21.0753 TIMING: 132200 CPU: 412.435, 0.00314574/step Wall: 412.435, 0.00314574/step, 4.25356 hours remaining, 234.562500 MB of memory in use. ENERGY: 132200 4002.6902 20536.4924 14534.0680 252.5612 -203152.5916 2939.7134 0.0000 0.0000 51963.1033 -108923.9631 298.6327 -160887.0664 -108562.9380 299.1064 134.5659 163.5732 764808.3767 -12.4684 -12.4503 LDB: ============= START OF LOAD BALANCING ============== 424.915 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 424.915 LDB: =============== DONE WITH MIGRATION ================ 424.917 LDB: ============= START OF LOAD BALANCING ============== 425.228 LDB: Largest compute 7052 load 0.029135 is 15.0% of average load 0.194564 LDB: Average compute 0.004395 is 2.3% of average load 0.194564 LDB: TIME 425.231 LOAD: AVG 0.194564 MAX 0.216571 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 232.312 MB LDB: TIME 425.232 LOAD: AVG 0.194564 MAX 0.216571 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.41 MB LDB: TIME 425.232 LOAD: AVG 0.194564 MAX 0.216571 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.41 MB LDB: ============== END OF LOAD BALANCING =============== 425.234 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 425.238 PRESSURE: 132400 333.124 45.0875 84.2564 45.0878 209.163 16.3229 84.2565 16.3234 -81.2394 GPRESSURE: 132400 408.235 129.539 154.978 73.4939 244.107 43.0152 101.092 -125.634 -126.633 PRESSAVG: 132400 44.7985 -11.2141 24.9078 -11.2141 -30.5659 -41.9888 24.9078 -41.9889 -22.0542 GPRESSAVG: 132400 44.7974 -8.55734 24.8293 -11.634 -31.0507 -41.01 22.9627 -43.8644 -21.4106 TIMING: 132400 CPU: 413.073, 0.00318776/step Wall: 413.073, 0.00318776/step, 4.3102 hours remaining, 232.824219 MB of memory in use. ENERGY: 132400 3991.1219 20491.6373 14537.4934 246.2597 -203437.7876 3026.6402 0.0000 0.0000 52242.5792 -108902.0560 300.2388 -161144.6352 -108542.4816 299.4424 153.6823 175.2363 762041.2362 -2.6072 -2.5546 PRESSURE: 132600 -81.8433 133.69 154.866 133.69 -322.671 40.8991 154.866 40.8999 101.073 GPRESSURE: 132600 -86.6659 134.07 170.717 88.7344 -262.758 68.9418 47.0071 33.5771 126.504 PRESSAVG: 132600 25.4131 -42.3218 60.2293 -42.3218 -34.1615 39.7873 60.2293 39.7873 9.84569 GPRESSAVG: 132600 26.4825 -43.8345 60.7959 -42.5435 -34.7124 38.4069 61.8982 39.4541 9.16218 TIMING: 132600 CPU: 413.696, 0.00311859/step Wall: 413.696, 0.00311859/step, 4.21651 hours remaining, 232.824219 MB of memory in use. ENERGY: 132600 3973.2368 20747.2376 14511.9224 240.4576 -202957.8630 2679.1716 0.0000 0.0000 51977.5780 -108828.2591 298.7159 -160805.8371 -108473.1766 299.0428 -101.1470 -74.3067 763550.0922 0.3658 0.3108 PRESSURE: 132800 209.119 122.218 129.845 122.218 358.979 113.782 129.846 113.78 -66.331 GPRESSURE: 132800 258.545 150.169 93.0703 42.1047 374.81 142.573 170.723 196.897 -42.8899 PRESSAVG: 132800 56.0801 1.74911 12.3468 1.7492 -47.0441 0.672704 12.3469 0.672728 4.63785 GPRESSAVG: 132800 56.5413 2.40744 11.7455 1.83698 -47.6996 0.105081 12.3171 3.08107 4.51744 TIMING: 132800 CPU: 414.323, 0.00313548/step Wall: 414.323, 0.00313548/step, 4.23917 hours remaining, 232.824219 MB of memory in use. ENERGY: 132800 3971.0356 20409.9034 14476.3383 267.8837 -203064.8567 2997.9850 0.0000 0.0000 52043.7878 -108897.9228 299.0964 -160941.7106 -108543.2777 299.0669 167.2556 196.8216 764403.5507 4.5579 4.4531 PRESSURE: 133000 -97.6475 -28.666 61.7309 -28.666 81.6227 141.686 61.7312 141.687 -345.094 GPRESSURE: 133000 -107.252 85.5103 70.408 -91.5271 172.238 210.048 140.514 97.7844 -333.829 PRESSAVG: 133000 -56.4101 1.36703 -27.564 1.367 31.7489 17.9609 -27.564 17.961 14.0637 GPRESSAVG: 133000 -57.2862 2.93939 -26.8987 -0.63835 33.3673 18.205 -27.6807 16.3085 13.2322 TIMING: 133000 CPU: 414.949, 0.00312568/step Wall: 414.949, 0.00312568/step, 4.22575 hours remaining, 232.824219 MB of memory in use. ENERGY: 133000 4029.3203 20566.1781 14471.3098 246.7794 -203051.9273 2919.1447 0.0000 0.0000 51928.5569 -108890.6382 298.4341 -160819.1951 -108532.2916 298.5213 -120.3731 -89.6141 765008.3684 -3.5325 -3.5622 PRESSURE: 133200 231.066 -11.7484 -8.29773 -11.7502 -249.227 -38.3454 -8.29727 -38.3454 154.71 GPRESSURE: 133200 170.115 -81.0466 -66.4583 -2.08529 -123.236 40.2551 -146.206 8.88677 172.192 PRESSAVG: 133200 37.0137 2.91908 41.0127 2.91911 -36.7611 1.93042 41.0128 1.93033 5.16801 GPRESSAVG: 133200 36.8589 -0.849463 40.3603 7.91298 -36.6116 2.35637 40.0438 1.93806 4.22253 TIMING: 133200 CPU: 415.568, 0.0030983/step Wall: 415.568, 0.0030983/step, 4.18856 hours remaining, 232.824219 MB of memory in use. ENERGY: 133200 3984.2564 20449.2033 14472.9386 248.1035 -203047.4745 2746.1308 0.0000 0.0000 52053.4145 -109093.4274 299.1517 -161146.8419 -108731.2703 298.4409 45.5162 73.0238 764639.9331 1.8069 1.4899 PRESSURE: 133400 -185.29 65.0287 -22.1977 65.0288 -130.051 -84.8227 -22.197 -84.8213 -197.819 GPRESSURE: 133400 -83.8609 78.1271 17.0725 65.1909 -193.461 -129.151 -94.194 -119.783 -155.253 PRESSAVG: 133400 6.29288 14.9266 -8.76108 14.9267 53.7037 12.4447 -8.76109 12.4447 -19.0989 GPRESSAVG: 133400 7.31012 17.0853 -9.05368 11.8196 52.1149 12.8967 -7.76531 12.4848 -18.3726 TIMING: 133400 CPU: 416.192, 0.00311726/step Wall: 416.192, 0.00311726/step, 4.21402 hours remaining, 232.824219 MB of memory in use. ENERGY: 133400 4012.3749 20434.4497 14508.0296 252.4933 -203284.7899 2815.7266 0.0000 0.0000 52075.3886 -109186.3272 299.2780 -161261.7158 -108816.5146 298.6535 -171.0536 -144.1916 764895.1397 13.6326 13.6841 PRESSURE: 133600 28.4306 14.5162 -22.7719 14.5153 117.126 -216.776 -22.7723 -216.776 -92.8939 GPRESSURE: 133600 41.0766 103.127 6.79955 -25.5411 182.91 -281.67 76.2582 -73.9507 -82.5638 PRESSAVG: 133600 0.674734 -36.3068 22.7198 -36.3068 -2.79996 26.9573 22.7199 26.9572 2.3131 GPRESSAVG: 133600 1.26457 -36.3049 23.5548 -35.7814 -2.75444 26.4459 23.976 25.5971 1.58035 TIMING: 133600 CPU: 416.815, 0.00311653/step Wall: 416.815, 0.00311653/step, 4.21285 hours remaining, 232.824219 MB of memory in use. ENERGY: 133600 4064.9977 20404.7605 14477.8242 246.2766 -203294.3393 3119.1363 0.0000 0.0000 51677.0045 -109304.3396 296.9885 -160981.3441 -108945.7217 298.0877 17.5542 47.1409 766552.3865 0.0626 0.0302 PRESSURE: 133800 -24.7939 -118.674 31.5193 -118.673 413.535 -220.885 31.5182 -220.884 332.155 GPRESSURE: 133800 -142.352 -52.4002 -45.8864 37.7752 542.604 -229.768 46.9959 -103.21 395.737 PRESSAVG: 133800 -15.8512 -34.0251 -2.35317 -34.0251 53.8564 0.585353 -2.35321 0.585389 16.6166 GPRESSAVG: 133800 -17.3397 -31.6794 -2.12378 -34.088 55.5698 0.127587 -4.14698 1.77196 16.6233 TIMING: 133800 CPU: 417.441, 0.00313219/step Wall: 417.441, 0.00313219/step, 4.23385 hours remaining, 232.824219 MB of memory in use. ENERGY: 133800 4068.2523 20412.1010 14525.7103 250.2966 -203164.4461 2841.5123 0.0000 0.0000 51982.1009 -109084.4726 298.7418 -161066.5735 -108721.1914 298.4543 240.2988 265.3296 762877.6468 18.2073 18.2845 PRESSURE: 134000 -382.566 -28.5264 -5.01182 -28.5268 -273.41 -18.6922 -5.01174 -18.6919 -30.273 GPRESSURE: 134000 -333.437 67.4526 -84.74 -82.2488 -280.906 -76.5601 133.051 -36.4243 -1.99192 PRESSAVG: 134000 -12.7918 11.8669 46.8023 11.867 -20.2892 10.5767 46.8023 10.5768 3.76676 GPRESSAVG: 134000 -12.2209 9.75694 45.3599 12.8254 -21.3403 9.96719 48.9273 12.2607 4.52165 TIMING: 134000 CPU: 418.068, 0.00313553/step Wall: 418.068, 0.00313553/step, 4.23819 hours remaining, 232.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 134000 4011.3215 20655.9326 14536.4212 239.3499 -203084.9334 2639.1154 0.0000 0.0000 52027.6324 -108975.1605 299.0035 -161002.7929 -108617.0992 299.0456 -228.7498 -205.4448 765066.2849 -9.7714 -9.6798 PRESSURE: 134200 254.027 65.574 111.404 65.5726 144.763 25.1316 111.403 25.1322 -173.325 GPRESSURE: 134200 267.139 198.847 57.1567 -6.43556 151.802 45.0505 21.8105 11.0238 -123.763 PRESSAVG: 134200 31.4294 -3.92258 29.5532 -3.92257 -15.2399 40.1593 29.5533 40.1593 13.5963 GPRESSAVG: 134200 31.347 -2.28508 29.4879 -3.97536 -15.5098 40.152 28.8725 38.7994 13.9096 TIMING: 134200 CPU: 418.698, 0.00315012/step Wall: 418.698, 0.00315012/step, 4.25774 hours remaining, 232.824219 MB of memory in use. ENERGY: 134200 3938.1530 20611.4143 14448.7255 259.5750 -203209.4627 2997.9291 0.0000 0.0000 51989.4735 -108964.1923 298.7842 -160953.6658 -108600.0457 298.8458 75.1549 98.3928 766267.8516 9.9286 9.9156 PRESSURE: 134400 73.7459 -202.896 -3.49904 -202.896 -166.948 -32.7192 -3.49896 -32.7199 -149.024 GPRESSURE: 134400 95.9387 -295.06 -36.6045 -109.211 -122.09 -67.8174 122.763 -108.869 -136.189 PRESSAVG: 134400 3.0923 -65.4232 -30.5775 -65.4231 -5.51497 -52.2143 -30.5776 -52.2144 4.4495 GPRESSAVG: 134400 3.1333 -65.5166 -29.1888 -66.6912 -5.65866 -51.028 -32.2328 -50.7584 4.19661 TIMING: 134400 CPU: 419.322, 0.00311923/step Wall: 419.322, 0.00311923/step, 4.21582 hours remaining, 232.824219 MB of memory in use. ENERGY: 134400 3851.5178 20509.1782 14484.2120 248.1420 -203048.2401 2914.6740 0.0000 0.0000 52162.4138 -108878.1023 299.7781 -161040.5161 -108517.0094 298.9667 -80.7419 -54.1133 766697.6566 0.6756 0.5571 PRESSURE: 134600 40.5464 -3.24929 185.316 -3.24885 -267.355 -79.7116 185.316 -79.7118 -48.4296 GPRESSURE: 134600 86.4517 2.45545 164.852 1.35244 -269.146 -62.0976 -61.7336 -24.1617 -2.4254 PRESSAVG: 134600 0.527229 -36.4493 21.6998 -36.4493 29.4478 31.9977 21.6998 31.9976 25.7255 GPRESSAVG: 134600 0.948272 -37.7885 20.8754 -36.7675 29.8021 31.1818 23.4532 29.8879 25.1048 TIMING: 134600 CPU: 419.949, 0.00313412/step Wall: 419.949, 0.00313412/step, 4.23576 hours remaining, 232.824219 MB of memory in use. ENERGY: 134600 3967.6434 20670.7598 14430.4904 240.5421 -203311.8129 3166.1264 0.0000 0.0000 51956.6035 -108879.6473 298.5953 -160836.2508 -108512.1418 298.7707 -91.7460 -61.7067 764931.9895 18.5668 18.6184 PRESSURE: 134800 46.8851 -149.475 152.011 -149.475 -192.124 72.2166 152.011 72.2161 82.6374 GPRESSURE: 134800 132.064 -65.0077 231.554 -33.0909 -187.112 -9.93091 41.6602 112.839 71.5666 PRESSAVG: 134800 7.98164 50.3951 14.1946 50.3951 56.8205 4.01108 14.1945 4.01101 4.56496 GPRESSAVG: 134800 8.138 52.1456 14.7246 51.3578 56.6394 3.81976 12.9228 5.1651 4.6809 TIMING: 134800 CPU: 420.573, 0.00311773/step Wall: 420.573, 0.00311773/step, 4.21343 hours remaining, 232.824219 MB of memory in use. ENERGY: 134800 3960.8735 20477.3991 14566.8188 248.1768 -202723.8841 2653.8038 0.0000 0.0000 52082.3191 -108734.4930 299.3178 -160816.8122 -108374.7216 299.2119 -20.8672 5.5062 764521.8143 23.1224 23.1528 PRESSURE: 135000 -120.166 -9.06371 -88.2077 -9.06294 -183.628 -32.3917 -88.2076 -32.3932 -298.26 GPRESSURE: 135000 -130.186 -10.0701 -83.3254 -57.4797 -107.225 34.766 -217.756 2.02769 -283.99 PRESSAVG: 135000 -11.6261 -50.0717 17.5373 -50.0717 -14.1558 -16.0844 17.5373 -16.0844 -15.8762 GPRESSAVG: 135000 -10.7737 -53.8128 17.4406 -49.6838 -15.2814 -15.5228 19.4422 -15.6212 -15.7952 TIMING: 135000 CPU: 421.199, 0.00313268/step Wall: 421.199, 0.00313268/step, 4.23347 hours remaining, 232.824219 MB of memory in use. ENERGY: 135000 4045.1105 20606.4502 14538.5927 259.0611 -203382.7155 2986.4559 0.0000 0.0000 52013.6973 -108933.3477 298.9234 -160947.0450 -108573.5854 299.1966 -200.6848 -173.8006 764498.2839 -13.8860 -13.9501 PRESSURE: 135200 -118.012 -276.093 -28.9702 -276.093 -40.9468 61.5464 -28.9696 61.5479 159.573 GPRESSURE: 135200 -138.373 -223.905 58.6937 -203.899 9.80708 171.551 -62.7458 154.515 216.039 PRESSAVG: 135200 1.42054 -0.570889 2.51037 -0.570978 -10.2063 36.9357 2.51042 36.9357 15.5999 GPRESSAVG: 135200 -0.182047 1.82669 2.57957 -1.44835 -8.00732 36.6428 2.39226 36.1947 15.2771 TIMING: 135200 CPU: 421.821, 0.00310976/step Wall: 421.821, 0.00310976/step, 4.20232 hours remaining, 232.824219 MB of memory in use. ENERGY: 135200 4032.9911 20299.2084 14511.2484 237.2764 -203138.6477 2973.7845 0.0000 0.0000 52065.0090 -109019.1300 299.2183 -161084.1390 -108657.8076 298.5813 0.2048 29.1579 766009.3482 2.2714 2.3626 PRESSURE: 135400 4.98901 -68.9554 308.884 -68.9555 -114.502 -9.86974 308.885 -9.86994 -128.465 GPRESSURE: 135400 -15.4424 -129.735 244.725 -21.2739 6.52488 15.1163 363.139 -40.018 -147.182 PRESSAVG: 135400 -33.0561 -76.3995 0.730126 -76.3995 -3.63714 -0.713277 0.730095 -0.713302 3.14675 GPRESSAVG: 135400 -32.6504 -75.881 0.940519 -78.2484 -4.09188 -1.48628 0.106116 -0.959598 3.61532 TIMING: 135400 CPU: 422.445, 0.00311877/step Wall: 422.445, 0.00311877/step, 4.21432 hours remaining, 232.824219 MB of memory in use. ENERGY: 135400 4038.7469 20482.7813 14476.0580 256.8629 -202954.1981 2883.5690 0.0000 0.0000 51936.6711 -108879.5088 298.4808 -160816.1799 -108527.3019 298.5898 -79.3259 -52.0332 763438.5326 -11.1822 -11.0423 PRESSURE: 135600 17.8359 141.624 88.8345 141.624 473.027 -189.408 88.8347 -189.407 331.319 GPRESSURE: 135600 109.505 84.1021 106.601 107.379 464.715 -194.927 -6.94799 -225.205 340.692 PRESSAVG: 135600 15.245 -60.3728 -11.6734 -60.3728 -21.0093 -53.1478 -11.6734 -53.1477 5.56613 GPRESSAVG: 135600 14.9461 -59.6286 -12.6006 -60.1072 -21.2366 -52.5366 -14.5109 -52.027 6.35309 TIMING: 135600 CPU: 423.069, 0.00312009/step Wall: 423.069, 0.0031201/step, 4.21594 hours remaining, 232.824219 MB of memory in use. ENERGY: 135600 3993.0513 20422.2589 14443.5002 249.0692 -203208.9592 3227.6634 0.0000 0.0000 52070.8551 -108802.5612 299.2519 -160873.4163 -108435.0743 298.9528 274.0606 304.9705 764133.5857 -0.0661 0.0209 PRESSURE: 135800 -40.1639 72.5883 7.50834 72.588 29.8596 1.46611 7.50777 1.4655 58.6624 GPRESSURE: 135800 58.4014 106.364 82.9176 -31.7127 11.0968 58.0726 43.0558 -105.787 58.2941 PRESSAVG: 135800 13.7452 -50.2271 -9.50095 -50.2271 -33.1681 -66.4977 -9.50103 -66.4978 15.192 GPRESSAVG: 135800 14.4475 -50.7303 -9.64261 -48.849 -33.4048 -66.6207 -7.98915 -67.5373 14.8024 TIMING: 135800 CPU: 423.691, 0.00310815/step Wall: 423.691, 0.00310815/step, 4.19963 hours remaining, 232.824219 MB of memory in use. ENERGY: 135800 3975.0475 20572.7308 14478.5347 246.3976 -202884.5755 2912.8335 0.0000 0.0000 52082.8152 -108616.2161 299.3207 -160699.0313 -108254.4495 299.1175 16.1194 42.5974 763394.3740 -1.4103 -1.3850 PRESSURE: 136000 -95.0401 -166.912 95.3556 -166.912 -427.887 -15.8329 95.3551 -15.8317 -188.669 GPRESSURE: 136000 -88.0026 -3.16088 42.318 -199.718 -346.999 -49.056 49.1345 66.9752 -211.538 PRESSAVG: 136000 26.365 -0.558162 30.4394 -0.558175 -42.0022 40.1766 30.4395 40.1766 10.3816 GPRESSAVG: 136000 26.4634 -1.12072 30.7256 -0.288178 -42.2121 39.79 30.4847 42.0942 11.1453 TIMING: 136000 CPU: 424.311, 0.00310278/step Wall: 424.311, 0.00310278/step, 4.1922 hours remaining, 232.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 136000 4102.4389 20711.7470 14421.9238 265.3399 -202721.7317 2714.0901 0.0000 0.0000 51935.2631 -108570.9289 298.4727 -160506.1920 -108208.9506 299.6595 -237.1986 -215.5133 766065.3690 -1.7519 -1.5345 PRESSURE: 136200 -169.998 -42.1538 288.216 -42.1532 -25.6529 -219.945 288.215 -219.945 170.776 GPRESSURE: 136200 -140.79 -58.8255 216.791 33.2445 62.4204 -139.813 321.749 -222.214 133.937 PRESSAVG: 136200 79.6591 -49.9485 -1.36119 -49.9485 -63.2422 0.519306 -1.36119 0.519121 14.1645 GPRESSAVG: 136200 80.3486 -51.1463 -0.635382 -47.5693 -63.3657 1.06008 -0.185466 -1.20403 13.3459 TIMING: 136200 CPU: 424.933, 0.00311006/step Wall: 424.933, 0.00311006/step, 4.20186 hours remaining, 232.824219 MB of memory in use. ENERGY: 136200 4053.1035 20646.8471 14489.1693 245.0482 -203311.0325 2975.4646 0.0000 0.0000 52350.7353 -108550.6645 300.8604 -160901.3998 -108193.9918 300.1927 -8.2916 18.5222 764883.9724 10.1938 10.1096 LDB: ============= START OF LOAD BALANCING ============== 437.412 LDB: ============== END OF LOAD BALANCING =============== 437.412 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 437.414 LDB: ============= START OF LOAD BALANCING ============== 437.727 LDB: Largest compute 7052 load 0.029066 is 14.9% of average load 0.194521 LDB: Average compute 0.004386 is 2.3% of average load 0.194521 LDB: TIME 437.73 LOAD: AVG 0.194521 MAX 0.215635 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.105 MB LDB: TIME 437.731 LOAD: AVG 0.194521 MAX 0.215635 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.172 MB LDB: TIME 437.731 LOAD: AVG 0.194521 MAX 0.215635 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.172 MB LDB: ============== END OF LOAD BALANCING =============== 437.733 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 437.737 PRESSURE: 136400 -298.487 -257.21 102.945 -257.211 -470.291 192.377 102.945 192.376 -245.629 GPRESSURE: 136400 -267.533 -207.152 123.311 -189.312 -422.169 237.477 209.076 171.306 -236.911 PRESSAVG: 136400 55.8325 -87.2928 -0.26295 -87.2928 -45.6961 15.2932 -0.262905 15.2932 -20.0204 GPRESSAVG: 136400 55.395 -85.6086 -1.24828 -88.7667 -45.09 15.7054 -1.54003 15.2968 -20.2095 TIMING: 136400 CPU: 425.571, 0.00319119/step Wall: 425.571, 0.00319119/step, 4.31129 hours remaining, 232.824219 MB of memory in use. ENERGY: 136400 4062.5287 20695.5670 14506.4641 259.3653 -203121.4915 2844.2092 0.0000 0.0000 52174.9531 -108578.4041 299.8502 -160753.3572 -108213.8860 299.9758 -338.1357 -308.8710 763838.2296 -3.2947 -3.3015 PRESSURE: 136600 32.4156 -139.969 -71.1227 -139.969 163.651 -41.3282 -71.1225 -41.3283 142.016 GPRESSURE: 136600 50.4463 -296.424 2.15053 -50.4512 198.449 -25.9578 -108.697 -132.405 175.879 PRESSAVG: 136600 42.4463 -57.0154 37.3857 -57.0155 -29.4267 -31.8728 37.3857 -31.8728 19.7352 GPRESSAVG: 136600 41.3547 -56.9478 38.6083 -58.844 -28.4047 -31.7704 37.5592 -34.0729 19.8358 TIMING: 136600 CPU: 426.197, 0.00312915/step Wall: 426.197, 0.00312915/step, 4.22731 hours remaining, 232.824219 MB of memory in use. ENERGY: 136600 3989.3485 20695.0085 14535.0637 244.2460 -203025.9012 2961.6516 0.0000 0.0000 51965.5383 -108635.0447 298.6467 -160600.5831 -108265.2226 299.8879 112.6941 141.5914 765208.9040 10.9183 10.9286 PRESSURE: 136800 -20.4811 29.6166 -164.897 29.6174 -207.491 204.278 -164.898 204.278 413.619 GPRESSURE: 136800 -84.4541 126.98 -83.2639 -76.585 -68.0212 177.805 -106.188 278.234 414.991 PRESSAVG: 136800 -16.8844 -27.1439 32.3714 -27.1439 11.0471 28.1793 32.3714 28.1794 14.3948 GPRESSAVG: 136800 -16.2295 -27.2603 34.2525 -26.653 9.0372 28.7911 31.6147 31.0804 14.881 TIMING: 136800 CPU: 426.818, 0.00310526/step Wall: 426.818, 0.00310526/step, 4.19486 hours remaining, 232.824219 MB of memory in use. ENERGY: 136800 4071.1968 20468.4637 14417.0768 232.0812 -203619.5352 3327.3951 0.0000 0.0000 52385.3151 -108718.0065 301.0591 -161103.3215 -108356.2160 299.5639 61.8824 87.5052 764780.2842 2.8525 2.5629 PRESSURE: 137000 -392.683 -27.4716 221.607 -27.4718 -196.996 404.976 221.606 404.975 142.568 GPRESSURE: 137000 -344.617 -0.548396 303.498 5.85359 -157.952 462.784 146.364 315.57 118.048 PRESSAVG: 137000 -18.7302 -5.21064 19.8186 -5.21063 21.5107 5.95937 19.8186 5.95939 -8.96028 GPRESSAVG: 137000 -17.8487 -5.22135 20.0642 -4.46104 21.2411 6.50307 19.363 4.28763 -10.0116 TIMING: 137000 CPU: 427.439, 0.0031043/step Wall: 427.439, 0.0031043/step, 4.19339 hours remaining, 232.824219 MB of memory in use. ENERGY: 137000 3965.0773 20629.5729 14547.7462 258.0582 -203007.8896 2782.4345 0.0000 0.0000 51882.4016 -108942.5990 298.1689 -160825.0005 -108580.7877 299.3702 -149.0371 -128.1735 764744.8737 -2.0599 -2.2064 PRESSURE: 137200 72.4163 196.818 -147.582 196.818 120.189 19.4619 -147.581 19.4629 -272.27 GPRESSURE: 137200 135.876 142.815 -175.176 172.083 187.407 18.6197 -66.8472 25.463 -313.945 PRESSAVG: 137200 -41.3061 -20.2413 20.8706 -20.2413 12.2223 -10.1158 20.8707 -10.1158 26.783 GPRESSAVG: 137200 -42.9586 -20.8776 18.4427 -20.2268 12.7368 -11.2276 22.3199 -8.38842 27.5841 TIMING: 137200 CPU: 428.061, 0.00310853/step Wall: 428.061, 0.00310853/step, 4.19894 hours remaining, 232.824219 MB of memory in use. ENERGY: 137200 4048.4864 20638.6002 14427.3012 255.3482 -203547.0415 3298.7766 0.0000 0.0000 52322.1169 -108556.4121 300.6959 -160878.5290 -108198.3084 299.9069 -26.5546 3.1127 764227.2134 -0.7670 -0.8792 PRESSURE: 137400 18.5286 -28.7115 -326.614 -28.7104 217.058 -77.5663 -326.614 -77.5664 -349.536 GPRESSURE: 137400 27.3684 14.901 -248.149 -72.1882 196.499 -25.6395 -369.653 -195.769 -257.999 PRESSAVG: 137400 -21.6643 -26.1996 -6.09945 -26.1996 35.8164 -19.7712 -6.09944 -19.7712 10.2323 GPRESSAVG: 137400 -20.5102 -26.0415 -4.83045 -27.5597 34.383 -19.9656 -7.35748 -20.9419 10.6671 TIMING: 137400 CPU: 428.681, 0.00309855/step Wall: 428.681, 0.00309855/step, 4.18528 hours remaining, 232.824219 MB of memory in use. ENERGY: 137400 3931.4242 20486.3670 14480.6498 259.5458 -203131.2430 2935.5877 0.0000 0.0000 52123.1396 -108914.5289 299.5524 -161037.6684 -108552.6752 299.9362 -37.9831 -11.3771 763592.0770 8.1281 8.1799 PRESSURE: 137600 -98.6877 -242.124 -0.223426 -242.124 -265.729 -182.37 -0.223568 -182.369 -22.6285 GPRESSURE: 137600 -110.479 -307.197 -28.3505 -247.629 -168.349 -199.101 -41.0135 -214.287 -44.4233 PRESSAVG: 137600 8.58666 -49.5236 -2.16848 -49.5237 21.4721 4.52843 -2.16854 4.52841 -9.58637 GPRESSAVG: 137600 7.91199 -48.2129 -3.50681 -48.5088 23.3202 4.3408 -2.39746 4.91723 -10.7066 TIMING: 137600 CPU: 429.302, 0.00310638/step Wall: 429.302, 0.00310638/step, 4.19569 hours remaining, 232.824219 MB of memory in use. ENERGY: 137600 4051.5769 20663.3103 14509.6011 234.2766 -202922.5431 2487.4684 0.0000 0.0000 52038.2188 -108938.0911 299.0644 -160976.3099 -108572.0305 299.0654 -129.0150 -107.7507 764959.7326 6.8241 6.8419 PRESSURE: 137800 -140.668 105.445 108.753 105.444 -316.881 56.0021 108.753 56.0013 -114.938 GPRESSURE: 137800 -165.701 12.8898 161.026 -13.6913 -255.278 91.4826 150.81 31.5548 -69.4074 PRESSAVG: 137800 65.4518 -65.2145 23.3262 -65.2145 -60.8593 13.8881 23.3263 13.888 9.87124 GPRESSAVG: 137800 66.2483 -68.6553 23.1716 -64.9518 -60.9686 12.8584 25.2248 15.0426 9.62975 TIMING: 137800 CPU: 429.923, 0.00310827/step Wall: 429.923, 0.00310827/step, 4.19807 hours remaining, 232.824219 MB of memory in use. ENERGY: 137800 4083.7209 20502.0569 14518.2453 245.9996 -203312.3148 2909.0679 0.0000 0.0000 51831.7218 -109221.5023 297.8776 -161053.2241 -108846.0503 298.9110 -190.8291 -163.4622 763879.5907 4.8212 4.9698 PRESSURE: 138000 96.658 -168.744 247.642 -168.743 -119.655 -66.4674 247.641 -66.4681 119.629 GPRESSURE: 138000 36.0586 -141.214 202.028 -162.855 35.162 -26.8313 95.4665 -163.494 110.544 PRESSAVG: 138000 41.3903 0.347468 24.6397 0.347401 -54.9696 -30.6943 24.6397 -30.6943 -14.6734 GPRESSAVG: 138000 40.3096 2.08659 24.3938 0.510865 -55.2806 -29.1429 24.0385 -32.9626 -13.7154 TIMING: 138000 CPU: 430.544, 0.00310442/step Wall: 430.544, 0.00310442/step, 4.19269 hours remaining, 232.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 138000 3954.4833 20457.9313 14483.8198 250.5817 -203584.5692 2981.7711 0.0000 0.0000 52121.9121 -109334.0700 299.5453 -161455.9820 -108979.9448 298.3631 32.2107 60.5883 763425.7992 -9.4176 -9.5621 PRESSURE: 138200 -105.453 -74.2267 137.574 -74.226 -2.05765 80.7478 137.573 80.7479 255.281 GPRESSURE: 138200 -31.3794 -48.3205 158.773 34.2297 -80.2785 26.6979 219.055 88.2977 349.059 PRESSAVG: 138200 24.3314 -45.7833 32.511 -45.7833 -17.8737 14.4711 32.5109 14.471 4.56258 GPRESSAVG: 138200 24.3266 -44.9047 31.9555 -47.9159 -17.015 14.7027 32.0398 16.1626 4.21285 TIMING: 138200 CPU: 431.164, 0.00309879/step Wall: 431.164, 0.00309879/step, 4.18491 hours remaining, 232.839844 MB of memory in use. ENERGY: 138200 4048.8867 20620.7019 14479.0584 269.4290 -203412.5026 2896.1352 0.0000 0.0000 51812.6329 -109285.6584 297.7679 -161098.2914 -108922.5540 298.3178 49.2567 79.1337 763488.6162 3.6734 3.8415 PRESSURE: 138400 376.671 153.622 -70.6779 153.622 -2.99115 78.1508 -70.6783 78.151 250.56 GPRESSURE: 138400 326.752 118.981 -19.3068 128.923 30.3304 95.7962 -179.403 81.5515 334.136 PRESSAVG: 138400 33.598 6.07823 40.0861 6.07831 -0.335903 -3.90392 40.0861 -3.90387 -34.577 GPRESSAVG: 138400 34.8694 3.83671 40.5765 7.56762 -1.61249 -3.57192 41.6903 -5.08087 -34.7877 TIMING: 138400 CPU: 431.784, 0.00309782/step Wall: 431.784, 0.00309782/step, 4.18344 hours remaining, 232.839844 MB of memory in use. ENERGY: 138400 3928.0028 20521.1495 14461.2830 268.0513 -203353.8582 2780.7807 0.0000 0.0000 52215.6004 -109178.9905 300.0838 -161394.5909 -108809.7282 298.4117 208.0799 230.4062 761542.9531 -0.4383 -0.5103 PRESSURE: 138600 -55.621 -93.8806 46.5717 -93.88 -189.725 70.2416 46.5727 70.2416 -94.3868 GPRESSURE: 138600 -55.5351 -75.484 -1.17335 -153.85 -77.9024 4.91486 4.02251 53.3511 -142.377 PRESSAVG: 138600 2.27008 -46.982 55.9507 -46.982 29.207 -1.02079 55.9507 -1.02076 17.1675 GPRESSAVG: 138600 1.63545 -45.8669 55.0498 -48.7754 29.3928 -0.838878 56.5229 -1.39161 17.8116 TIMING: 138600 CPU: 432.404, 0.00310144/step Wall: 432.404, 0.00310144/step, 4.18815 hours remaining, 232.839844 MB of memory in use. ENERGY: 138600 4023.2644 20645.6799 14526.7170 253.3263 -203684.8250 3054.8008 0.0000 0.0000 52160.9954 -109020.0412 299.7700 -161181.0366 -108668.6901 299.0519 -113.2443 -91.9383 762888.1433 16.2149 16.2800 PRESSURE: 138800 -166.999 -92.8909 -135.416 -92.8908 -50.4136 -185.974 -135.415 -185.973 48.5794 GPRESSURE: 138800 -111.799 -65.6884 -142.727 -122.075 9.9028 -170.911 -5.17459 -139.691 34.0542 PRESSAVG: 138800 -24.7196 0.200076 22.3055 0.200122 29.5014 0.296528 22.3055 0.29661 -6.29902 GPRESSAVG: 138800 -24.634 -0.220732 23.0511 1.9221 30.1012 0.544762 20.5756 -1.15321 -7.12733 TIMING: 138800 CPU: 433.027, 0.00311456/step Wall: 433.027, 0.00311456/step, 4.20569 hours remaining, 232.839844 MB of memory in use. ENERGY: 138800 4069.8683 20806.1528 14409.1965 245.5901 -203743.2042 3121.8024 0.0000 0.0000 52354.6193 -108735.9748 300.8827 -161090.5941 -108379.3070 299.5250 -56.2777 -22.6140 762616.0231 -0.5058 -0.5534 PRESSURE: 139000 170.481 115.905 85.086 115.905 -263.325 -22.6406 85.0855 -22.6413 66.1485 GPRESSURE: 139000 215.306 4.2109 141.661 77.7023 -201.053 -30.3702 79.7973 -77.3197 47.3428 PRESSAVG: 139000 -54.631 30.6953 31.2591 30.6953 5.1423 -38.879 31.2591 -38.879 -3.76924 GPRESSAVG: 139000 -53.9698 31.3897 32.0806 31.1003 5.26134 -39.3404 30.3398 -37.8029 -4.40186 TIMING: 139000 CPU: 433.649, 0.00310807/step Wall: 433.649, 0.00310807/step, 4.19676 hours remaining, 232.839844 MB of memory in use. ENERGY: 139000 3974.8615 20734.1953 14493.0995 237.3147 -203380.5105 3011.7097 0.0000 0.0000 52290.9521 -108638.3778 300.5168 -160929.3299 -108279.2920 299.7319 -8.8984 20.5319 764934.9863 -17.7527 -17.7034 PRESSURE: 139200 291.239 -208.098 -329.516 -208.098 -119.711 103.576 -329.516 103.577 155.324 GPRESSURE: 139200 248.363 -78.1406 -313.454 -207.416 -45.3657 69.4074 -143.606 103.434 202.648 PRESSAVG: 139200 17.5941 -41.2782 -43.0233 -41.2782 -25.6222 34.9732 -43.0233 34.9733 7.48236 GPRESSAVG: 139200 17.3385 -39.8735 -44.9056 -42.0282 -25.3967 32.735 -42.2893 36.216 8.19083 TIMING: 139200 CPU: 434.276, 0.00313521/step Wall: 434.276, 0.00313521/step, 4.23323 hours remaining, 232.839844 MB of memory in use. ENERGY: 139200 3970.3344 20459.0640 14482.3071 240.5564 -203365.8470 3288.4713 0.0000 0.0000 52210.9407 -108714.1731 300.0570 -160925.1138 -108345.0392 299.9250 108.9508 135.2150 762895.7481 -0.1819 0.0442 PRESSURE: 139400 -94.9693 242.837 -14.4774 242.837 -23.4317 32.5341 -14.4759 32.5326 -79.2293 GPRESSURE: 139400 -9.09495 134.023 -2.97375 232.322 -15.5764 75.7954 -166.652 85.6135 -76.7133 PRESSAVG: 139400 25.8638 -71.1715 15.8873 -71.1715 -36.2074 0.923036 15.8873 0.922972 0.00572338 GPRESSAVG: 139400 24.0237 -71.3397 17.8045 -70.6903 -35.3017 2.66401 15.7019 1.85002 0.570788 TIMING: 139400 CPU: 434.901, 0.003125/step Wall: 434.901, 0.003125/step, 4.21928 hours remaining, 232.839844 MB of memory in use. ENERGY: 139400 3952.7648 20697.3056 14479.7502 247.1867 -203109.6433 2761.4816 0.0000 0.0000 52194.3017 -108776.8525 299.9614 -160971.1542 -108412.5627 300.0538 -65.8768 -33.7949 764055.7441 -3.4460 -3.5691 PRESSURE: 139600 -271.237 -73.1917 123.897 -73.1916 146.057 -181.671 123.897 -181.67 -296.239 GPRESSURE: 139600 -189.348 -106.847 107.197 -79.6257 223.665 -246.222 175.427 -201.608 -344.42 PRESSAVG: 139600 -54.0555 -65.3895 -50.3423 -65.3895 31.2697 -38.2214 -50.3423 -38.2215 -14.4899 GPRESSAVG: 139600 -53.5873 -66.0684 -50.6735 -65.78 31.843 -38.8213 -51.6398 -40.9265 -15.204 TIMING: 139600 CPU: 435.521, 0.00310369/step Wall: 435.521, 0.00310369/step, 4.19032 hours remaining, 232.839844 MB of memory in use. ENERGY: 139600 4015.4397 20551.7411 14464.7299 250.8250 -203141.8687 2899.3851 0.0000 0.0000 52181.5940 -108778.1539 299.8883 -160959.7479 -108413.2147 299.7844 -140.4727 -103.3674 763423.6091 -12.4253 -12.3161 PRESSURE: 139800 233.173 98.4559 -52.1814 98.4551 315.123 -170.605 -52.1811 -170.605 -179.557 GPRESSURE: 139800 179.997 73.858 -15.0093 6.48907 422.579 -149.245 -87.4906 -78.0899 -151.217 PRESSAVG: 139800 -40.3265 -48.1524 20.1873 -48.1524 38.9896 1.84891 20.1873 1.84893 18.0728 GPRESSAVG: 139800 -39.2478 -46.2071 19.9718 -49.7116 37.4447 1.9079 23.7051 2.85745 19.1888 TIMING: 139800 CPU: 436.142, 0.00310375/step Wall: 436.142, 0.00310375/step, 4.19024 hours remaining, 232.839844 MB of memory in use. ENERGY: 139800 3935.0400 20679.0010 14490.5622 239.8655 -202984.8016 2840.0312 0.0000 0.0000 52274.6807 -108525.6212 300.4233 -160800.3018 -108154.2010 300.2982 122.9134 150.4531 763596.4992 5.5786 5.7953 PRESSURE: 140000 -226.775 40.4257 -89.7279 40.4253 156.238 4.16922 -89.7279 4.17001 101.624 GPRESSURE: 140000 -46.8845 7.70611 -40.1932 -40.6004 75.3037 68.4913 -112.719 -121.379 86.9564 PRESSAVG: 140000 4.59449 3.22001 1.24699 3.22002 -36.1174 -24.7757 1.24698 -24.7756 13.3992 GPRESSAVG: 140000 6.13867 0.389359 1.00074 5.95513 -37.5927 -24.7654 -0.226309 -24.4192 13.354 TIMING: 140000 CPU: 436.763, 0.00310276/step Wall: 436.763, 0.00310276/step, 4.18873 hours remaining, 232.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 140000 4012.9608 20680.6100 14447.0730 268.7192 -202758.7753 2591.3914 0.0000 0.0000 52246.7351 -108511.2858 300.2627 -160758.0209 -108149.0288 299.8136 10.3621 38.4586 762849.4795 -6.0413 -6.0333 PRESSURE: 140200 121.495 -60.8145 -24.6327 -60.8145 -46.8921 44.5473 -24.6332 44.5466 321.29 GPRESSURE: 140200 201.321 26.1789 -3.09636 -34.0068 -25.7117 12.5446 31.7426 -39.0656 289.938 PRESSAVG: 140200 34.1815 -81.2827 38.1909 -81.2827 -19.5416 0.104689 38.1909 0.104545 -7.47776 GPRESSAVG: 140200 31.6624 -81.1383 40.1813 -81.349 -17.0894 2.60419 38.2778 -1.99628 -7.55961 TIMING: 140200 CPU: 437.381, 0.00309184/step Wall: 437.381, 0.00309184/step, 4.17381 hours remaining, 232.839844 MB of memory in use. ENERGY: 140200 3984.2218 20626.4565 14434.6976 241.9400 -203191.3349 3012.9812 0.0000 0.0000 52234.9315 -108656.1062 300.1949 -160891.0378 -108292.0855 300.2063 131.9642 155.1825 763126.3261 2.3874 2.3378 LDB: ============= START OF LOAD BALANCING ============== 449.856 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 449.856 LDB: =============== DONE WITH MIGRATION ================ 449.858 LDB: ============= START OF LOAD BALANCING ============== 450.167 LDB: Largest compute 7052 load 0.029322 is 15.1% of average load 0.194576 LDB: Average compute 0.004386 is 2.3% of average load 0.194576 LDB: TIME 450.171 LOAD: AVG 0.194576 MAX 0.215615 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 232.84 MB LDB: TIME 450.171 LOAD: AVG 0.194576 MAX 0.215615 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.84 MB LDB: TIME 450.171 LOAD: AVG 0.194576 MAX 0.215615 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.84 MB LDB: ============== END OF LOAD BALANCING =============== 450.173 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 450.178 PRESSURE: 140400 -53.6098 -54.0173 128.418 -54.0166 267.173 174.746 128.419 174.746 236.29 GPRESSURE: 140400 9.98297 -108.558 88.6136 -11.7783 241.252 150.907 93.8972 190.131 276.364 PRESSAVG: 140400 -1.51951 -44.7549 -16.4994 -44.7549 -18.3598 29.5564 -16.4994 29.5564 -7.80936 GPRESSAVG: 140400 -0.880188 -43.3211 -17.1177 -44.1987 -18.7589 28.1467 -16.4308 31.9935 -8.1379 TIMING: 140400 CPU: 438.012, 0.00315594/step Wall: 438.012, 0.00315594/step, 4.26017 hours remaining, 234.121094 MB of memory in use. ENERGY: 140400 4061.7622 20697.1796 14482.7695 263.0512 -202790.6989 2772.9475 0.0000 0.0000 52124.3401 -108388.6487 299.5593 -160512.9888 -108022.5464 300.0305 149.9508 175.8663 765392.6310 -9.2296 -9.2590 PRESSURE: 140600 -143.576 17.6805 246.68 17.6814 -149.808 17.5068 246.679 17.5062 225.559 GPRESSURE: 140600 -36.2273 96.8478 306.228 -34.5144 -213.902 91.3043 257.421 -114.706 282.141 PRESSAVG: 140600 11.4482 -24.2487 -46.6127 -24.2486 -11.1712 -22.2589 -46.6127 -22.2589 30.9909 GPRESSAVG: 140600 13.1087 -24.3071 -44.8627 -27.0383 -11.2197 -21.8908 -49.1589 -23.5011 29.3432 TIMING: 140600 CPU: 438.632, 0.00309825/step Wall: 438.632, 0.00309825/step, 4.18212 hours remaining, 234.191406 MB of memory in use. ENERGY: 140600 4010.8482 20686.8413 14491.9015 237.8720 -203098.9989 2917.3282 0.0000 0.0000 52370.9022 -108383.3055 300.9763 -160754.2077 -108020.0113 300.3067 -22.6087 10.6708 765465.1481 10.4226 10.4107 PRESSURE: 140800 -86.5797 -19.1721 -115.359 -19.1715 144.023 107.639 -115.358 107.639 -26.9984 GPRESSURE: 140800 12.2969 3.28946 -19.7628 -128.726 95.8682 48.0068 -41.1012 97.4521 -13.2818 PRESSAVG: 140800 -1.61677 -31.9274 0.00527236 -31.9273 -7.97111 -35.7525 0.00533268 -35.7525 -5.9935 GPRESSAVG: 140800 -1.51085 -32.9613 -1.49404 -30.5762 -8.66349 -35.9781 2.02582 -36.6908 -5.5853 TIMING: 140800 CPU: 439.251, 0.00309823/step Wall: 439.251, 0.00309823/step, 4.18192 hours remaining, 234.191406 MB of memory in use. ENERGY: 140800 4059.1156 20733.2802 14457.2082 223.3815 -202736.3817 2541.6100 0.0000 0.0000 52238.0050 -108483.7810 300.2125 -160721.7861 -108133.5745 299.9983 10.1484 31.6277 764341.8057 -5.1938 -5.2532 PRESSURE: 141000 -94.8175 -163.247 -85.3937 -163.247 -373.551 -97.8438 -85.3937 -97.8436 -295.943 GPRESSURE: 141000 -63.1105 -159.936 -79.1738 -105.162 -326.463 -90.6517 -199.788 -158.637 -302.219 PRESSAVG: 141000 21.3653 -21.0928 34.0643 -21.0928 -67.479 -0.220593 34.0644 -0.220623 12.4477 GPRESSAVG: 141000 20.3444 -22.3936 33.5506 -18.2752 -66.6872 -1.51416 35.0022 0.410199 13.0299 TIMING: 141000 CPU: 439.874, 0.00311052/step Wall: 439.874, 0.00311052/step, 4.19834 hours remaining, 234.191406 MB of memory in use. ENERGY: 141000 3942.8820 20670.5962 14488.3413 251.3413 -202851.4579 2619.8578 0.0000 0.0000 52519.3483 -108359.0910 301.8294 -160878.4393 -107987.5327 300.7650 -254.7706 -230.5977 764589.8069 -11.2220 -11.1043 PRESSURE: 141200 23.2921 61.0057 246.724 61.0054 -234.72 162.128 246.724 162.128 43.2768 GPRESSURE: 141200 28.3798 124.431 244.463 -42.1817 -215.646 214.897 150.819 97.9283 106.73 PRESSAVG: 141200 36.311 -49.3609 13.4916 -49.3609 -43.7149 13.9313 13.4915 13.9314 2.06867 GPRESSAVG: 141200 35.8708 -46.3541 13.2756 -51.1536 -44.1099 15.725 12.4908 15.731 2.95915 TIMING: 141200 CPU: 440.495, 0.0031051/step Wall: 440.495, 0.0031051/step, 4.19085 hours remaining, 234.191406 MB of memory in use. ENERGY: 141200 4082.7862 20641.7899 14588.4910 248.1373 -202894.5782 2802.1593 0.0000 0.0000 51923.1254 -108608.0891 298.4029 -160531.2145 -108260.1729 300.6077 -56.0504 -26.8456 764155.6375 -1.7784 -1.7600 PRESSURE: 141400 113.662 40.0493 -152.942 40.0496 67.9983 307.919 -152.942 307.92 -151.945 GPRESSURE: 141400 167.727 -12.8737 -157.924 157.216 112.861 277.487 -136.381 255.593 -163.808 PRESSAVG: 141400 -7.26039 -53.7397 4.3019 -53.7397 -28.0648 23.8355 4.30192 23.8355 -3.42322 GPRESSAVG: 141400 -6.15591 -55.3498 4.63707 -53.0519 -27.6452 24.6214 4.74174 22.978 -4.18603 TIMING: 141400 CPU: 441.116, 0.00310595/step Wall: 441.116, 0.00310595/step, 4.19182 hours remaining, 234.191406 MB of memory in use. ENERGY: 141400 3956.8259 20483.3168 14513.0647 231.3493 -202981.7013 3029.2153 0.0000 0.0000 52121.2400 -108646.6893 299.5415 -160767.9293 -108279.1807 300.0670 9.9053 38.9265 763565.8936 -12.9161 -12.6624 PRESSURE: 141600 -359.624 203.023 305.486 203.022 133.874 48.6016 305.486 48.6026 -195.368 GPRESSURE: 141600 -317.539 220.173 199.368 179.079 135.532 8.24367 202.694 -6.48127 -163.264 PRESSAVG: 141600 10.3206 -13.1567 -8.42835 -13.1567 19.7928 48.1656 -8.42839 48.1655 -0.0897808 GPRESSAVG: 141600 11.3023 -14.7439 -7.57365 -12.0721 18.3114 47.2796 -9.18918 46.4131 0.262079 TIMING: 141600 CPU: 441.734, 0.00309298/step Wall: 441.734, 0.00309298/step, 4.17414 hours remaining, 234.191406 MB of memory in use. ENERGY: 141600 3996.2078 20627.3658 14521.6256 245.4545 -202784.7952 2635.4492 0.0000 0.0000 51772.4697 -108986.2225 297.5371 -160758.6922 -108632.8305 299.6453 -140.3724 -115.0902 764362.2545 10.0079 9.9586 PRESSURE: 141800 331.122 -63.5796 -11.609 -63.5798 -82.5147 248.363 -11.609 248.363 -178.784 GPRESSURE: 141800 272.548 -163.599 -57.9927 -75.5576 58.6158 208.683 -87.0327 174.808 -183.184 PRESSAVG: 141800 -7.13614 -26.7286 -10.711 -26.7287 -15.7386 -28.443 -10.7109 -28.443 10.8127 GPRESSAVG: 141800 -9.1005 -27.3375 -12.2043 -29.7066 -13.2809 -29.5535 -11.1916 -25.2596 10.5296 TIMING: 141800 CPU: 442.355, 0.00310298/step Wall: 442.355, 0.00310298/step, 4.18747 hours remaining, 234.191406 MB of memory in use. ENERGY: 141800 3966.2356 20663.3618 14439.9198 249.9223 -203019.9603 2716.6845 0.0000 0.0000 52159.5190 -108824.3173 299.7615 -160983.8363 -108447.4539 299.5280 23.2744 49.3266 763341.2562 -4.0207 -3.9506 PRESSURE: 142000 -117.029 -90.1713 -110.488 -90.1709 246.733 227.748 -110.488 227.747 -238.669 GPRESSURE: 142000 -32.4417 78.5698 -141.526 -200.31 160.258 154.606 -58.9114 238.367 -162.544 PRESSAVG: 142000 6.9764 34.2443 -41.7494 34.2444 6.02109 51.2153 -41.7494 51.2152 -1.89085 GPRESSAVG: 142000 6.20833 35.0981 -43.1781 34.8773 4.99546 51.5258 -40.142 51.2307 -1.25775 TIMING: 142000 CPU: 442.976, 0.00310408/step Wall: 442.976, 0.00310408/step, 4.18878 hours remaining, 234.191406 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: 142000 4014.3370 20554.3385 14474.3306 265.6996 -203330.5134 2802.7166 0.0000 0.0000 52328.7655 -108890.3255 300.7341 -161219.0910 -108532.0366 299.5602 -36.3216 -11.5758 762156.6003 3.7022 3.3153 PRESSURE: 142200 -214.452 -62.0297 59.3583 -62.03 -64.879 161.743 59.3588 161.744 351.501 GPRESSURE: 142200 -142.622 -49.7825 93.7681 8.69264 -20.9327 288.278 247.983 71.9994 326.841 PRESSAVG: 142200 -56.9228 -15.0484 16.9477 -15.0484 61.6152 -17.0507 16.9477 -17.0506 11.6583 GPRESSAVG: 142200 -55.0963 -14.4962 19.2657 -12.0544 59.8349 -15.892 17.6052 -19.28 11.035 TIMING: 142200 CPU: 443.597, 0.00310544/step Wall: 443.597, 0.00310544/step, 4.19045 hours remaining, 234.191406 MB of memory in use. ENERGY: 142200 4036.9904 20624.0501 14502.7608 247.9808 -202893.8259 2609.7834 0.0000 0.0000 52091.0495 -108781.2109 299.3680 -160872.2604 -108416.2446 299.9020 24.0566 54.4288 762643.7195 5.4503 5.2579 PRESSURE: 142400 -241.514 122.38 12.1936 122.381 -221.916 119.426 12.1935 119.427 230.98 GPRESSURE: 142400 -133.087 113.294 -94.7076 225.557 -240.218 92.3652 -166.164 99.9251 226.936 PRESSAVG: 142400 -11.1309 4.23315 -35.3539 4.23309 28.8127 4.38847 -35.3539 4.38838 0.581677 GPRESSAVG: 142400 -11.077 4.59332 -36.2081 1.14529 29.4859 4.04312 -35.9652 5.21424 -0.177339 TIMING: 142400 CPU: 444.217, 0.00310212/step Wall: 444.217, 0.00310212/step, 4.18579 hours remaining, 234.191406 MB of memory in use. ENERGY: 142400 4030.8253 20489.7384 14432.1450 251.0151 -202874.3567 2688.9694 0.0000 0.0000 52181.2965 -108800.3670 299.8866 -160981.6635 -108431.5338 299.7507 -77.4834 -48.7899 763511.2238 6.0878 6.0772 PRESSURE: 142600 -129.683 -237.151 84.6858 -237.151 -379.35 -92.1608 84.6857 -92.1606 38.2158 GPRESSURE: 142600 -113.573 -198.247 119.493 -223.217 -312.348 -30.9715 -36.5355 -86.038 14.4888 PRESSAVG: 142600 -45.0633 -33.0254 -60.6464 -33.0254 50.7393 76.8677 -60.6464 76.8677 -13.9723 GPRESSAVG: 142600 -46.1099 -33.94 -60.0172 -33.6423 51.441 77.3089 -63.2125 78.6223 -13.2866 TIMING: 142600 CPU: 444.837, 0.00309618/step Wall: 444.837, 0.00309618/step, 4.17761 hours remaining, 234.191406 MB of memory in use. ENERGY: 142600 3973.0707 20691.9041 14486.0205 229.2671 -202996.0467 2719.0876 0.0000 0.0000 52154.9475 -108741.7492 299.7352 -160896.6967 -108380.5040 299.2233 -156.9391 -137.1442 764506.5899 -2.7654 -2.6519 PRESSURE: 142800 40.3404 140.582 -70.7105 140.582 -60.8977 -23.1319 -70.7109 -23.1324 -106.711 GPRESSURE: 142800 80.9839 136.663 -27.4713 95.5341 -46.211 -44.4962 47.8687 -53.8761 -74.2264 PRESSAVG: 142800 -47.2404 -5.02286 -37.2328 -5.0229 58.8074 20.1325 -37.2328 20.1325 3.19485 GPRESSAVG: 142800 -46.9848 -3.7555 -37.5517 -3.32185 58.5501 18.4025 -36.3705 17.9903 2.76025 TIMING: 142800 CPU: 445.462, 0.00312837/step Wall: 445.462, 0.00312837/step, 4.22087 hours remaining, 234.191406 MB of memory in use. ENERGY: 142800 3907.2397 20718.1982 14523.9670 256.2723 -203103.1507 2866.9633 0.0000 0.0000 52047.5886 -108782.9215 299.1182 -160830.5101 -108422.5283 299.6782 -42.4226 -13.1512 764090.8833 4.9206 4.7752 PRESSURE: 143000 -215.744 86.7745 -27.5677 86.7741 -316.109 16.9409 -27.568 16.941 -419.129 GPRESSURE: 143000 -165.462 84.1156 -17.1558 25.5474 -244.468 -34.0051 178.35 -6.12335 -474.423 PRESSAVG: 143000 -18.0411 14.1735 40.087 14.1735 60.9477 -20.6847 40.0871 -20.6847 -12.5144 GPRESSAVG: 143000 -17.3353 14.1176 40.0841 13.9926 59.9465 -20.656 41.5522 -21.5349 -12.3298 TIMING: 143000 CPU: 446.086, 0.00311745/step Wall: 446.086, 0.00311745/step, 4.20596 hours remaining, 234.191406 MB of memory in use. ENERGY: 143000 3995.3979 20600.7624 14511.9137 244.4961 -202750.6267 2407.1998 0.0000 0.0000 52283.0578 -108707.7990 300.4715 -160990.8567 -108338.3690 299.6134 -316.9940 -294.7844 764627.3113 10.1307 10.0938 PRESSURE: 143200 -17.4757 -161.034 38.9189 -161.034 -26.999 23.4198 38.9189 23.4192 -194.55 GPRESSURE: 143200 -49.17 -53.743 1.88144 -168.413 11.0461 118.515 100.373 42.9882 -123.192 PRESSAVG: 143200 -53.0207 -11.0084 -38.8164 -11.0083 28.3359 11.083 -38.8164 11.083 -3.67744 GPRESSAVG: 143200 -53.3822 -10.3282 -37.8957 -11.2296 28.7171 11.451 -38.2142 12.1266 -3.49116 TIMING: 143200 CPU: 446.708, 0.00311131/step Wall: 446.708, 0.00311131/step, 4.19751 hours remaining, 234.191406 MB of memory in use. ENERGY: 143200 4004.5702 20592.2767 14456.7369 241.9821 -202778.2677 2477.6648 0.0000 0.0000 52058.5258 -108946.5111 299.1811 -161005.0369 -108584.3161 299.2142 -79.6748 -53.7721 764494.6592 -9.4541 -9.3854 PRESSURE: 143400 -108.969 -81.8274 181.762 -81.8261 -279.889 -6.43194 181.762 -6.43327 -325.882 GPRESSURE: 143400 -52.3774 -44.1124 181.124 -69.7021 -160.69 -10.5447 144.728 -21.8924 -415.002 PRESSAVG: 143400 -18.4817 18.5189 -11.5372 18.5189 54.4058 11.9102 -11.5372 11.9102 -0.75673 GPRESSAVG: 143400 -18.9459 18.9483 -11.4477 16.9437 54.3589 12.4314 -11.1619 11.5521 -1.12858 TIMING: 143400 CPU: 447.328, 0.00310008/step Wall: 447.328, 0.00310008/step, 4.18218 hours remaining, 234.191406 MB of memory in use. ENERGY: 143400 4031.1026 20625.1154 14568.9604 266.2018 -203033.5564 2745.1253 0.0000 0.0000 52142.9941 -108654.0567 299.6665 -160797.0509 -108301.6020 299.5587 -238.2466 -209.3566 766076.3638 11.7225 11.4281 PRESSURE: 143600 -136.13 -38.4844 -200.291 -38.4834 59.2338 114.24 -200.29 114.24 147.742 GPRESSURE: 143600 -111.086 -102.404 -13.7898 -45.3592 85.5536 174.705 -249.726 177.197 173.639 PRESSAVG: 143600 -29.5061 -43.4723 -9.83575 -43.4724 12.4862 47.1944 -9.83575 47.1945 -17.152 GPRESSAVG: 143600 -29.7835 -44.9804 -8.61163 -42.1827 12.5945 46.6257 -12.7751 49.7046 -16.8295 TIMING: 143600 CPU: 447.948, 0.00309775/step Wall: 447.948, 0.00309775/step, 4.17887 hours remaining, 234.191406 MB of memory in use. ENERGY: 143600 3952.8953 20570.2598 14505.8348 238.1020 -202767.1125 2658.3201 0.0000 0.0000 52148.7448 -108692.9557 299.6996 -160841.7005 -108318.4790 299.2319 23.6155 49.3689 764540.9089 -11.3906 -11.3395 PRESSURE: 143800 -294.055 -44.1725 -21.9551 -44.1716 -300.846 66.6812 -21.9552 66.6799 -53.9578 GPRESSURE: 143800 -241.787 -15.5422 -59.6831 -9.15359 -273.942 -38.8419 19.5729 48.5118 -33.6248 PRESSAVG: 143800 -39.5619 -29.331 -11.7789 -29.331 -7.13145 38.688 -11.7789 38.6879 -6.92642 GPRESSAVG: 143800 -39.6216 -29.3639 -12.8965 -27.0263 -7.44587 38.299 -10.9921 38.4301 -6.28689 TIMING: 143800 CPU: 448.57, 0.00311105/step Wall: 448.57, 0.00311105/step, 4.19663 hours remaining, 234.191406 MB of memory in use. ENERGY: 143800 3932.0103 20510.1586 14500.2103 247.1144 -202931.4950 2738.6649 0.0000 0.0000 52159.4575 -108843.8790 299.7611 -161003.3365 -108489.1776 298.9133 -216.2863 -183.1181 764384.3386 -17.8732 -17.7848 PRESSURE: 144000 91.3481 138.375 79.5707 138.374 -89.9379 -143.905 79.5703 -143.905 51.4712 GPRESSURE: 144000 63.6135 280.61 30.5105 196.481 -26.7358 -105.157 226.405 -72.5905 96.0172 PRESSAVG: 144000 -14.1187 -21.1527 14.2458 -21.1527 71.0535 27.9975 14.2458 27.9976 30.4354 GPRESSAVG: 144000 -14.2957 -20.0728 15.6756 -22.3023 72.1093 28.7531 14.7142 26.7474 29.7604 TIMING: 144000 CPU: 449.191, 0.00310713/step Wall: 449.191, 0.00310713/step, 4.19117 hours remaining, 234.191406 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: 144000 4023.0634 20416.4199 14436.9988 250.1631 -202972.7499 2851.3409 0.0000 0.0000 52114.1993 -108880.5644 299.5010 -160994.7637 -108514.7494 299.1660 17.6271 44.2983 764381.0733 29.1234 29.1913 PRESSURE: 144200 -202 63.9121 60.6161 63.9113 -5.67618 -51.2912 60.6156 -51.2914 113.045 GPRESSURE: 144200 -281.627 94.5317 -34.2344 38.5729 43.9581 -111.974 -18.9422 12.0151 240.051 PRESSAVG: 144200 -68.761 17.2801 -3.32766 17.2801 7.27982 -6.87579 -3.32774 -6.87583 -1.83202 GPRESSAVG: 144200 -68.9957 14.5697 -4.62534 18.1084 6.31157 -6.79368 -3.70987 -6.13671 -0.449771 TIMING: 144200 CPU: 449.812, 0.00310316/step Wall: 449.812, 0.00310316/step, 4.18564 hours remaining, 234.191406 MB of memory in use. ENERGY: 144200 4007.0622 20511.5355 14517.3348 260.8584 -202902.7911 2641.1226 0.0000 0.0000 52131.8226 -108833.0549 299.6023 -160964.8775 -108456.0152 298.9687 -31.5436 0.7939 764589.4616 -21.1044 -21.0446 LDB: ============= START OF LOAD BALANCING ============== 462.287 LDB: ============== END OF LOAD BALANCING =============== 462.287 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 462.289 LDB: ============= START OF LOAD BALANCING ============== 462.601 LDB: Largest compute 7052 load 0.029635 is 15.2% of average load 0.194501 LDB: Average compute 0.004405 is 2.3% of average load 0.194501 LDB: TIME 462.604 LOAD: AVG 0.194501 MAX 0.217626 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 232.086 MB LDB: TIME 462.605 LOAD: AVG 0.194501 MAX 0.217626 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.09 MB LDB: TIME 462.605 LOAD: AVG 0.194501 MAX 0.215146 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.09 MB LDB: ============== END OF LOAD BALANCING =============== 462.607 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 462.612 PRESSURE: 144400 20.4831 39.3691 97.3488 39.3699 49.913 -29.2354 97.3488 -29.2352 137.04 GPRESSURE: 144400 77.3835 17.391 20.1627 10.4835 68.0508 92.3566 248.668 33.8417 157.513 PRESSAVG: 144400 -56.8506 -0.0302699 8.81342 -0.0302209 84.7408 -41.3332 8.81346 -41.3332 18.3605 GPRESSAVG: 144400 -56.1986 2.66899 9.73652 -3.24392 84.6771 -41.4309 7.69821 -39.3036 17.3154 TIMING: 144400 CPU: 450.446, 0.00316981/step Wall: 450.446, 0.00316981/step, 4.27537 hours remaining, 233.371094 MB of memory in use. ENERGY: 144400 3963.8414 20568.9138 14478.6174 254.0058 -203011.0666 2858.3057 0.0000 0.0000 52076.5365 -108810.8460 299.2846 -160887.3826 -108452.4613 299.0554 69.1452 100.9826 762617.8708 15.4169 15.2646 PRESSURE: 144600 -509.528 -119.776 -80.7951 -119.776 -125.593 -6.17892 -80.7956 -6.18095 -5.66812 GPRESSURE: 144600 -472.622 -201.856 -130.327 -52.6253 -72.3262 -34.0973 -30.0396 -47.6918 9.97486 PRESSAVG: 144600 -0.325871 8.97283 29.972 8.97285 22.2655 13.6227 29.9719 13.6226 7.20647 GPRESSAVG: 144600 -0.77602 8.57107 29.241 8.26125 23.3918 12.5141 32.3643 13.9414 6.3508 TIMING: 144600 CPU: 451.069, 0.00311543/step Wall: 451.069, 0.00311544/step, 4.20186 hours remaining, 233.371094 MB of memory in use. ENERGY: 144600 4023.4262 20531.5584 14570.2843 269.7520 -202604.4611 2518.9463 0.0000 0.0000 51845.7884 -108844.7057 297.9585 -160690.4941 -108475.8741 298.9756 -213.5963 -178.3245 763919.4271 9.7154 9.6555 PRESSURE: 144800 204.901 51.1958 -34.8275 51.1955 272.214 175.348 -34.8267 175.347 442.29 GPRESSURE: 144800 251.355 53.0348 -11.5618 85.4283 286.637 178.563 1.46832 55.3712 459.693 PRESSAVG: 144800 1.87822 -9.03013 40.3485 -9.03011 50.3635 22.6945 40.3485 22.6946 -5.02196 GPRESSAVG: 144800 2.17739 -10.3847 39.6115 -8.00326 49.415 25.221 37.8635 18.8049 -4.85017 TIMING: 144800 CPU: 451.694, 0.00312568/step Wall: 451.694, 0.00312568/step, 4.21549 hours remaining, 233.371094 MB of memory in use. ENERGY: 144800 3913.6757 20634.3412 14444.2768 263.7099 -203502.4896 3083.1030 0.0000 0.0000 52154.3992 -109008.9837 299.7320 -161163.3829 -108658.5037 299.2540 306.4684 332.5618 763096.2426 15.7399 15.5807 PRESSURE: 145000 89.4787 -72.8819 -208.921 -72.8824 -346.453 -157.127 -208.922 -157.127 -445.98 GPRESSURE: 145000 47.8906 33.6481 -225.065 53.6731 -299.06 -182.138 18.183 -40.2894 -378.389 PRESSAVG: 145000 -14.9463 14.7764 -15.8328 14.7765 -12.7404 79.8844 -15.8327 79.8844 7.65502 GPRESSAVG: 145000 -14.9711 16.3984 -15.9193 15.238 -13.149 78.4236 -12.5698 82.8032 7.61749 TIMING: 145000 CPU: 452.315, 0.00310518/step Wall: 452.315, 0.00310518/step, 4.18768 hours remaining, 233.371094 MB of memory in use. ENERGY: 145000 3984.4852 20757.1535 14507.1432 228.5962 -203275.6429 2822.8088 0.0000 0.0000 52223.1077 -108752.3483 300.1269 -160975.4560 -108396.7444 299.4661 -234.3183 -209.8529 763617.9740 -6.6772 -6.8342 PRESSURE: 145200 309.046 260.73 102.223 260.73 16.6047 262.343 102.222 262.343 327.86 GPRESSURE: 145200 357.922 291.754 74.055 238.144 17.5842 264.66 172.939 296.318 364.036 PRESSAVG: 145200 5.22546 7.79711 -9.10635 7.7971 13.2032 42.1492 -9.10636 42.1492 3.49853 GPRESSAVG: 145200 6.65412 8.55243 -9.70949 8.18742 11.0844 42.2634 -9.54382 41.4453 4.18657 TIMING: 145200 CPU: 452.936, 0.00310266/step Wall: 452.936, 0.00310266/step, 4.1841 hours remaining, 233.371094 MB of memory in use. ENERGY: 145200 3954.0425 20588.8127 14513.2447 253.2907 -203168.9642 2673.3692 0.0000 0.0000 52081.3533 -109104.8511 299.3123 -161186.2044 -108733.3048 299.1770 217.8369 246.5141 761360.4324 7.3091 7.3084 PRESSURE: 145400 -250.238 34.0962 -127.462 34.097 223.096 38.5545 -127.461 38.554 143.337 GPRESSURE: 145400 -226.251 -43.5973 -93.4546 40.266 253.415 -10.4095 71.1518 38.8569 184.405 PRESSAVG: 145400 -59.1091 -4.33853 -54.6369 -4.33854 30.7398 43.0521 -54.6369 43.0521 -2.08493 GPRESSAVG: 145400 -59.6047 -4.58265 -54.3052 -3.37043 33.1154 43.1847 -54.0035 43.5365 -4.27604 TIMING: 145400 CPU: 453.552, 0.003084/step Wall: 453.552, 0.003084/step, 4.15878 hours remaining, 233.371094 MB of memory in use. ENERGY: 145400 4017.5142 20549.7117 14515.5728 239.7300 -203138.0467 2975.6433 0.0000 0.0000 51926.8399 -108913.0346 298.4243 -160839.8745 -108547.2049 299.0892 38.7321 70.5232 762478.7790 -10.1514 -10.2551 PRESSURE: 145600 -240.183 -98.2196 43.5725 -98.219 -295.444 -68.9256 43.572 -68.9253 -573.261 GPRESSURE: 145600 -273.428 -66.6625 137.837 -69.8951 -188.785 -52.6038 -56.223 -33.5782 -529.518 PRESSAVG: 145600 -6.87027 -23.3011 42.93 -23.3011 12.991 -1.28241 42.93 -1.28242 -16.1077 GPRESSAVG: 145600 -7.62742 -25.5013 45.1908 -22.943 12.5895 -1.63708 39.4181 -0.924759 -15.3071 TIMING: 145600 CPU: 454.173, 0.00310301/step Wall: 454.173, 0.00310301/step, 4.18424 hours remaining, 233.371094 MB of memory in use. ENERGY: 145600 3988.4993 20571.1680 14520.2237 252.6608 -203078.0812 2701.6482 0.0000 0.0000 52133.2307 -108910.6506 299.6104 -161043.8813 -108549.9643 298.8691 -369.6292 -330.5768 764157.5978 -3.3290 -3.4484 PRESSURE: 145800 -84.0247 80.9735 118.929 80.973 -108.456 27.9018 118.928 27.8994 74.9518 GPRESSURE: 145800 38.6781 -93.108 54.9748 45.8641 -124.23 -147.695 148.741 5.81177 65.9038 PRESSAVG: 145800 -0.748098 -21.3683 -28.3672 -21.3684 -12.2658 11.5697 -28.3672 11.5696 10.2069 GPRESSAVG: 145800 0.342192 -19.3862 -31.381 -23.62 -13.2945 11.5268 -24.646 11.6838 9.50062 TIMING: 145800 CPU: 454.795, 0.00310892/step Wall: 454.795, 0.00310892/step, 4.19203 hours remaining, 233.371094 MB of memory in use. ENERGY: 145800 4011.7253 20406.3624 14539.9511 241.6765 -202784.1905 2643.3915 0.0000 0.0000 52100.1466 -108840.9370 299.4203 -160941.0837 -108473.1946 299.3204 -39.1763 -6.5494 763154.4808 -0.9357 -1.1506 PRESSURE: 146000 -33.1197 -35.4189 -77.5593 -35.4183 -120.195 -107.81 -77.5592 -107.811 -459.25 GPRESSURE: 146000 34.2393 84.5867 -232.52 79.6386 -122.079 -112.914 21.5605 -82.5187 -425.011 PRESSAVG: 146000 71.9649 -13.116 -28.45 -13.1159 -29.2756 34.3899 -28.45 34.39 13.9015 GPRESSAVG: 146000 71.2779 -14.0122 -28.1046 -10.8911 -28.707 34.015 -30.2536 33.5695 13.5987 TIMING: 146000 CPU: 455.415, 0.00310048/step Wall: 455.415, 0.00310048/step, 4.18048 hours remaining, 233.371094 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: 146000 4053.9507 20522.5090 14463.2572 222.9183 -202737.1026 2712.7761 0.0000 0.0000 51971.5415 -108790.1497 298.6812 -160761.6913 -108429.2750 299.5287 -204.1885 -170.9500 762717.8005 18.8636 18.7232 PRESSURE: 146200 -106.492 -128.532 -44.0899 -128.532 -65.9066 -89.4806 -44.0895 -89.4811 -34.9714 GPRESSURE: 146200 -110.696 -206.408 -103.255 4.64241 -35.1959 -47.7918 -21.3718 -87.7015 0.86854 PRESSAVG: 146200 -59.6968 -30.7287 -20.313 -30.7287 53.6579 2.12758 -20.3131 2.12772 -4.11741 GPRESSAVG: 146200 -60.8406 -32.1352 -18.5003 -30.5303 54.5464 0.779132 -19.5736 3.48798 -4.22773 TIMING: 146200 CPU: 456.037, 0.00311223/step Wall: 456.037, 0.00311223/step, 4.19615 hours remaining, 233.371094 MB of memory in use. ENERGY: 146200 3991.1748 20327.5791 14505.8264 233.8974 -203595.6086 3150.0074 0.0000 0.0000 52417.1473 -108969.9763 301.2421 -161387.1236 -108607.9631 298.9131 -69.1235 -48.3413 762685.8681 -3.3854 -3.5073 PRESSURE: 146400 -15.1653 176.146 100.892 176.146 -295.759 -46.8132 100.892 -46.8129 222.78 GPRESSURE: 146400 -45.5395 182.97 10.6707 192.219 -232.66 8.04299 115.964 -39.4411 273.13 PRESSAVG: 146400 -10.6232 -3.7519 42.6185 -3.75187 -11.4441 15.8201 42.6185 15.8201 28.6376 GPRESSAVG: 146400 -10.7195 -3.38103 42.6704 -5.06918 -11.243 18.1027 40.2799 14.5412 28.3801 TIMING: 146400 CPU: 456.659, 0.00310908/step Wall: 456.659, 0.00310908/step, 4.19172 hours remaining, 233.371094 MB of memory in use. ENERGY: 146400 3924.2747 20491.2067 14433.9219 250.9276 -202777.6789 2639.6349 0.0000 0.0000 51924.0762 -109113.6369 298.4084 -161037.7130 -108746.6512 298.7240 -29.3816 -1.6897 763305.6135 2.1901 2.1392 PRESSURE: 146600 449.484 110.681 334.234 110.681 -227.134 -98.7683 334.235 -98.7677 276.678 GPRESSURE: 146600 517.437 111.609 273.327 -85.6751 -214.049 -75.3663 307.361 8.60883 282.487 PRESSAVG: 146600 -1.60639 -25.079 19.8508 -25.079 -2.54212 65.055 19.8509 65.055 -27.1682 GPRESSAVG: 146600 -0.893985 -23.7925 18.9597 -26.3351 -3.28164 66.5009 22.744 64.7515 -26.9877 TIMING: 146600 CPU: 457.281, 0.00311077/step Wall: 457.281, 0.00311077/step, 4.19384 hours remaining, 233.371094 MB of memory in use. ENERGY: 146600 4057.9687 20419.3629 14460.1851 243.5953 -202987.9154 2796.0044 0.0000 0.0000 51844.4898 -109166.3092 297.9510 -161010.7990 -108810.3986 298.2794 166.3428 195.2916 761554.4286 -10.4389 -10.3878 PRESSURE: 146800 -55.8741 -134.501 -3.10079 -134.5 -349.913 33.7267 -3.10065 33.727 -422.04 GPRESSURE: 146800 -65.6068 -79.6839 15.1637 -181.671 -296.875 115.067 -95.3469 97.0433 -381.826 PRESSAVG: 146800 24.0343 -37.5232 67.5763 -37.5233 10.7737 6.65224 67.5763 6.65219 18.5481 GPRESSAVG: 146800 23.8872 -37.3316 68.6407 -36.2268 11.0894 3.84421 64.3329 6.70464 18.6498 TIMING: 146800 CPU: 457.904, 0.0031141/step Wall: 457.904, 0.0031141/step, 4.19815 hours remaining, 233.371094 MB of memory in use. ENERGY: 146800 4037.7007 20454.1036 14455.7829 250.4586 -203178.9151 2683.8146 0.0000 0.0000 52171.6260 -109125.4289 299.8311 -161297.0548 -108768.1116 298.7270 -275.9421 -248.1026 762978.6937 17.7854 17.8755 PRESSURE: 147000 -335.987 -223.881 -220.164 -223.882 -455.088 91.5151 -220.163 91.5157 -60.3093 GPRESSURE: 147000 -255.872 -195.656 -226.699 -48.5303 -414.065 63.1956 -207.723 27.849 -93.8498 PRESSAVG: 147000 -5.84802 -56.9597 -42.3245 -56.9597 4.494 -25.9101 -42.3244 -25.9101 -2.07122 GPRESSAVG: 147000 -6.02496 -58.3531 -42.0281 -57.7694 4.8412 -26.7627 -42.225 -26.0095 -2.45166 TIMING: 147000 CPU: 458.526, 0.00310936/step Wall: 458.526, 0.00310936/step, 4.19158 hours remaining, 233.371094 MB of memory in use. ENERGY: 147000 4070.0701 20448.0633 14507.6636 260.8006 -202887.6328 2527.7283 0.0000 0.0000 51878.5832 -109194.7236 298.1469 -161073.3069 -108840.5759 298.5571 -283.7947 -254.5958 764088.9414 -1.1417 -1.2118 PRESSURE: 147200 37.2417 -196.642 56.4002 -196.641 -34.877 -65.3283 56.4002 -65.3277 -273.141 GPRESSURE: 147200 18.2173 -184.055 47.649 -132.415 -51.7324 -131.208 108.814 100.244 -120.365 PRESSAVG: 147200 27.623 -30.3579 14.5419 -30.3579 -18.0829 23.9128 14.5419 23.9128 -13.0985 GPRESSAVG: 147200 27.2702 -30.3388 12.6997 -28.984 -18.7722 24.3786 17.2813 25.7463 -12.0399 TIMING: 147200 CPU: 459.148, 0.00311141/step Wall: 459.148, 0.00311141/step, 4.19419 hours remaining, 233.371094 MB of memory in use. ENERGY: 147200 3980.4142 20519.7720 14489.9421 247.9641 -202962.3333 2666.5164 0.0000 0.0000 51883.9749 -109173.7496 298.1779 -161057.7245 -108815.2332 298.6996 -90.2587 -51.2934 761998.3464 -1.1861 -1.1806 PRESSURE: 147400 -260.849 125.813 -60.9828 125.813 -246.643 -50.9745 -60.9833 -50.9733 76.657 GPRESSURE: 147400 -146.656 125.455 -151.614 278.755 -242.667 -162.91 -58.4838 9.94502 52.0349 PRESSAVG: 147400 36.4294 16.3195 1.78661 16.3195 -32.3526 7.5867 1.78669 7.58671 17.6051 GPRESSAVG: 147400 36.1127 18.8251 1.51023 15.7939 -32.5465 9.56697 -1.2539 6.76887 17.6943 TIMING: 147400 CPU: 459.772, 0.00311756/step Wall: 459.772, 0.00311756/step, 4.2023 hours remaining, 233.371094 MB of memory in use. ENERGY: 147400 4058.8027 20468.5268 14445.9743 257.5467 -203236.3578 2732.9709 0.0000 0.0000 52084.1701 -109188.3664 299.3284 -161272.5365 -108816.1799 298.9425 -143.6117 -112.4291 761763.7911 7.2273 7.0868 PRESSURE: 147600 -396.595 -207.254 -93.065 -207.255 149.972 203.7 -93.0657 203.7 -278.754 GPRESSURE: 147600 -384.664 -171.522 -45.6464 -185.655 140.557 240.978 -146.627 141.867 -208.4 PRESSAVG: 147600 1.86512 -26.136 12.7762 -26.136 16.037 45.0127 12.7762 45.0127 -20.2829 GPRESSAVG: 147600 1.85871 -28.1018 13.2305 -28.1169 15.6471 43.5544 16.3453 43.9475 -19.8126 TIMING: 147600 CPU: 460.397, 0.00312749/step Wall: 460.397, 0.00312749/step, 4.21551 hours remaining, 233.371094 MB of memory in use. ENERGY: 147600 3938.8693 20507.3267 14481.3461 244.9450 -202935.8588 2673.1357 0.0000 0.0000 51900.2729 -109189.9632 298.2716 -161090.2360 -108836.0730 298.8331 -175.1257 -150.8359 764073.5100 -0.7936 -0.7690 PRESSURE: 147800 -88.6471 -165.798 69.113 -165.797 -18.4082 90.4603 69.1123 90.4601 -678.364 GPRESSURE: 147800 -57.5678 -91.8595 13.4559 -158.219 16.6092 82.7929 100.895 40.3591 -644.781 PRESSAVG: 147800 33.0719 42.2035 9.4664 42.2035 -34.2672 -3.27245 9.46639 -3.2724 -21.6545 GPRESSAVG: 147800 32.8623 43.9288 9.00263 43.3464 -34.5145 -3.03224 7.8432 -1.92231 -20.9333 TIMING: 147800 CPU: 461.021, 0.00311876/step Wall: 461.021, 0.00311876/step, 4.20357 hours remaining, 233.371094 MB of memory in use. ENERGY: 147800 4059.8278 20565.1758 14499.7253 248.7093 -203031.1175 2651.4930 0.0000 0.0000 51826.8201 -109179.3661 297.8494 -161006.1862 -108827.7176 298.6968 -261.8065 -228.5797 763757.1658 -7.6166 -7.5285 PRESSURE: 148000 -168.559 232.272 88.1033 232.272 86.7338 155.498 88.1032 155.499 -1.21807 GPRESSURE: 148000 -107.12 78.6346 73.6426 224.041 78.7379 201.824 155.442 207.133 18.1546 PRESSAVG: 148000 -21.0714 19.1945 -19.7303 19.1945 57.9515 26.6957 -19.7304 26.6958 6.17855 GPRESSAVG: 148000 -19.3905 18.7445 -20.2234 18.9691 58.5141 26.4298 -18.7938 25.6513 3.71903 TIMING: 148000 CPU: 461.642, 0.00310659/step Wall: 461.642, 0.00310659/step, 4.18699 hours remaining, 233.371094 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: 148000 3929.5687 20445.1700 14472.2280 243.6305 -203287.9778 2940.6799 0.0000 0.0000 51878.6154 -109378.0853 298.1471 -161256.7006 -109008.2387 298.1973 -27.6812 -3.4090 762125.8006 14.3529 14.2809 PRESSURE: 148200 95.2777 -107.044 -1.07304 -107.045 170.185 254.393 -1.0734 254.393 194.663 GPRESSURE: 148200 70.9137 -6.1257 -30.2649 -57.9301 199.238 188.747 61.4162 263.707 259.807 PRESSAVG: 148200 20.6536 -25.4211 -29.343 -25.421 24.3663 39.0488 -29.343 39.0488 -34.0712 GPRESSAVG: 148200 18.4098 -27.2626 -28.3133 -26.3776 25.2168 39.4427 -30.6517 39.3511 -33.3201 TIMING: 148200 CPU: 462.265, 0.00311204/step Wall: 462.265, 0.00311204/step, 4.19416 hours remaining, 233.371094 MB of memory in use. ENERGY: 148200 4029.2833 20460.1063 14467.1773 254.5575 -203257.8733 2863.9822 0.0000 0.0000 52028.8237 -109153.9430 299.0104 -161182.7667 -108792.4608 298.4532 153.3752 176.6529 763044.0591 3.6496 3.4355 LDB: ============= START OF LOAD BALANCING ============== 474.741 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 474.741 LDB: =============== DONE WITH MIGRATION ================ 474.743 LDB: ============= START OF LOAD BALANCING ============== 475.055 LDB: Largest compute 7052 load 0.029921 is 15.4% of average load 0.194579 LDB: Average compute 0.004393 is 2.3% of average load 0.194579 LDB: TIME 475.059 LOAD: AVG 0.194579 MAX 0.213327 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.551 MB LDB: TIME 475.059 LOAD: AVG 0.194579 MAX 0.213327 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.551 MB LDB: TIME 475.06 LOAD: AVG 0.194579 MAX 0.213327 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.551 MB LDB: ============== END OF LOAD BALANCING =============== 475.062 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 475.066 PRESSURE: 148400 -303.076 -3.4016 -7.66663 -3.40206 -146.302 514.594 -7.66682 514.593 -330.694 GPRESSURE: 148400 -232.488 96.842 14.9555 36.6219 -204.4 555.334 -170.528 260.69 -245.872 PRESSAVG: 148400 -41.7162 -12.8478 -10.8161 -12.8478 41.9639 31.3255 -10.8161 31.3255 -3.49068 GPRESSAVG: 148400 -39.6955 -13.2094 -11.478 -11.0934 40.7974 31.5514 -10.0952 30.1433 -4.33927 TIMING: 148400 CPU: 462.9, 0.00317891/step Wall: 462.9, 0.00317891/step, 4.28411 hours remaining, 233.812500 MB of memory in use. ENERGY: 148400 4085.4934 20540.7921 14586.2499 247.7891 -202946.1037 2563.5192 0.0000 0.0000 51966.2377 -108956.0224 298.6507 -160922.2600 -108593.9642 299.3078 -260.0239 -227.5867 762876.5803 -1.0810 -1.0791 PRESSURE: 148600 156.319 162.197 -143.856 162.197 204.83 -154.06 -143.855 -154.059 228.537 GPRESSURE: 148600 200.14 117.604 -106.524 66.5833 153.415 -99.3425 -84.8004 -39.9105 319.277 PRESSAVG: 148600 -55.3689 -21.7359 35.6863 -21.736 67.5266 50.1893 35.6862 50.1894 5.23096 GPRESSAVG: 148600 -56.7727 -19.667 35.3228 -23.1272 68.3827 50.6082 34.8061 50.8556 5.57159 TIMING: 148600 CPU: 463.522, 0.00310603/step Wall: 463.522, 0.00310603/step, 4.18572 hours remaining, 233.882812 MB of memory in use. ENERGY: 148600 3991.0173 20610.5640 14508.5252 262.8218 -203618.2216 3139.8617 0.0000 0.0000 52343.0127 -108762.4188 300.8160 -161105.4316 -108394.4088 299.9532 196.5619 224.2776 760386.1640 5.7962 5.7272 PRESSURE: 148800 -244.64 -155.974 1.63231 -155.974 -216.615 52.9192 1.63261 52.9197 -507.691 GPRESSURE: 148800 -195.404 -143.478 20.3943 -149.833 -297.07 -15.9218 -50.9104 57.9668 -401.838 PRESSAVG: 148800 -3.02782 -17.7066 38.7796 -17.7066 -19.7104 20.6539 38.7796 20.654 -3.6946 GPRESSAVG: 148800 -3.18216 -17.9971 40.6366 -17.6426 -19.9738 18.9959 38.3007 20.3561 -3.12487 TIMING: 148800 CPU: 464.141, 0.00309554/step Wall: 464.141, 0.00309554/step, 4.17142 hours remaining, 233.882812 MB of memory in use. ENERGY: 148800 4012.6616 20479.6243 14619.2006 256.0527 -202436.7647 2070.5144 0.0000 0.0000 52264.5281 -108734.1829 300.3650 -160998.7110 -108366.2406 299.8565 -322.9818 -298.1041 764005.9762 -8.8110 -8.7603 PRESSURE: 149000 9.5232 35.3827 -33.1444 35.3827 109.392 135.164 -33.1437 135.165 -139.856 GPRESSURE: 149000 -0.966917 53.4135 51.9437 -18.5811 127.028 148.992 51.6032 -11.5557 -57.2265 PRESSAVG: 149000 29.6389 42.9851 22.514 42.9851 -2.36112 -12.5679 22.514 -12.5679 5.20044 GPRESSAVG: 149000 28.9893 43.1632 22.6802 44.216 -3.02465 -11.8234 22.6615 -11.8494 6.65015 TIMING: 149000 CPU: 464.758, 0.00308801/step Wall: 464.758, 0.00308801/step, 4.1611 hours remaining, 233.882812 MB of memory in use. ENERGY: 149000 4038.5949 20439.5619 14541.5214 238.7914 -203299.9347 2877.0689 0.0000 0.0000 52418.4266 -108745.9696 301.2494 -161164.3962 -108373.2816 300.0811 -6.9802 22.9450 761346.8152 10.8261 10.8716 PRESSURE: 149200 -46.1693 322.806 -24.2521 322.806 -42.9715 125.888 -24.2519 125.887 -66.5751 GPRESSURE: 149200 3.39974 281.638 -153.822 241.673 -8.54469 221.73 22.9096 140.652 -61.1977 PRESSAVG: 149200 11.2997 -29.5451 -8.28181 -29.5451 -38.688 42.7208 -8.28181 42.7208 -8.74416 GPRESSAVG: 149200 12.8005 -30.8379 -9.68725 -29.8635 -38.6652 43.6772 -9.72753 42.3807 -10.1926 TIMING: 149200 CPU: 465.374, 0.00308034/step Wall: 465.374, 0.00308034/step, 4.15059 hours remaining, 233.882812 MB of memory in use. ENERGY: 149200 3894.5206 20515.6827 14568.5394 250.2268 -202751.7700 2687.6105 0.0000 0.0000 52194.7142 -108640.4757 299.9637 -160835.1899 -108275.0068 299.7848 -51.9053 -22.1142 762957.6186 -12.0442 -12.0191 PRESSURE: 149400 -182.731 128.65 -83.3092 128.649 296.119 25.6409 -83.3094 25.6411 -3.53676 GPRESSURE: 149400 -46.3885 18.3063 -79.9054 156.534 264.877 11.2855 -100.208 2.20145 -32.6071 PRESSAVG: 149400 -38.1598 56.1139 46.6585 56.1139 38.1094 72.2329 46.6585 72.2329 15.0101 GPRESSAVG: 149400 -38.779 55.6727 48.1838 56.0238 37.3185 72.0067 49.68 72.9726 16.3125 TIMING: 149400 CPU: 465.996, 0.00310539/step Wall: 465.996, 0.00310539/step, 4.18417 hours remaining, 233.882812 MB of memory in use. ENERGY: 149400 3909.3022 20574.3688 14512.9641 246.7127 -203034.7301 2878.9693 0.0000 0.0000 52132.7218 -108779.6912 299.6075 -160912.4130 -108411.2095 299.9245 36.6171 61.9604 762992.4634 4.9866 4.9507 PRESSURE: 149600 -75.4616 5.06389 119.204 5.06286 -153.993 -117.432 119.203 -117.432 -228.822 GPRESSURE: 149600 -116.721 88.0127 173.79 -24.8586 -54.9061 -183.156 38.1833 4.54987 -216.01 PRESSAVG: 149600 -9.78314 21.7797 -22.1101 21.7797 62.7539 20.1043 -22.1102 20.1043 9.82577 GPRESSAVG: 149600 -10.968 21.7035 -21.4227 22.809 64.493 21.2424 -24.2844 17.4258 9.26045 TIMING: 149600 CPU: 466.62, 0.0031228/step Wall: 466.62, 0.0031228/step, 4.20745 hours remaining, 233.882812 MB of memory in use. ENERGY: 149600 3992.3738 20519.2338 14562.9946 250.4361 -202814.2481 2731.1835 0.0000 0.0000 52234.6203 -108523.4059 300.1931 -160758.0262 -108157.7883 299.1379 -152.7590 -129.2125 764948.7059 20.9322 20.9285 PRESSURE: 149800 69.6063 85.7637 38.0486 85.7631 -190.967 -85.9558 38.0485 -85.9559 108.642 GPRESSURE: 149800 90.7014 103.857 38.3227 261.754 -138.737 -50.0251 -93.8423 -79.0381 138.756 PRESSAVG: 149800 42.1872 20.3967 -30.5661 20.3967 -11.6855 3.86445 -30.5661 3.86447 -1.89233 GPRESSAVG: 149800 43.6063 19.9243 -31.3625 22.1658 -11.8222 2.68434 -31.2225 7.06063 -2.98051 TIMING: 149800 CPU: 467.244, 0.00312091/step Wall: 467.244, 0.00312091/step, 4.20473 hours remaining, 233.882812 MB of memory in use. ENERGY: 149800 3935.1822 20577.9961 14481.4251 262.9551 -202926.5959 2713.3880 0.0000 0.0000 52355.9717 -108599.6777 300.8905 -160955.6495 -108231.7816 299.7000 -4.2395 30.2402 762327.5018 9.5364 9.6012 PRESSURE: 150000 -146.522 -14.9962 49.8551 -14.9968 -98.3127 -65.5868 49.8552 -65.5855 6.85474 GPRESSURE: 150000 -72.3117 31.0284 6.66661 -61.1755 -145.254 -46.4325 14.6785 76.9716 35.0495 PRESSAVG: 150000 21.1004 -25.8348 5.1038 -25.8347 -12.3803 -41.1091 5.10379 -41.109 1.08097 GPRESSAVG: 150000 21.6033 -25.0725 2.53421 -27.5364 -13.3007 -42.3887 5.93584 -41.3781 0.552992 TIMING: 150000 CPU: 467.87, 0.00312776/step Wall: 467.87, 0.00312776/step, 4.21379 hours remaining, 233.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 150000 4036.2626 20636.9883 14552.2164 245.2021 -202802.7932 2573.3300 0.0000 0.0000 52132.7432 -108626.0507 299.6076 -160758.7938 -108260.8020 299.5926 -79.3266 -60.8388 763799.2833 3.2670 2.9519 PRESSURE: 150200 -0.896952 -70.5667 23.0865 -70.5668 276.525 -3.44532 23.0863 -3.44516 524.429 GPRESSURE: 150200 137.212 -41.3469 15.203 25.6025 277.105 -35.1797 53.7277 5.5964 468.977 PRESSAVG: 150200 -13.0516 -34.42 -3.19182 -34.4199 32.6471 -25.504 -3.19178 -25.504 7.32561 GPRESSAVG: 150200 -13.6356 -36.8424 -1.99312 -34.4626 33.6758 -25.5326 -1.0218 -25.9096 7.4381 TIMING: 150200 CPU: 468.492, 0.0031098/step Wall: 468.492, 0.0031098/step, 4.18942 hours remaining, 233.882812 MB of memory in use. ENERGY: 150200 3964.5117 20572.0559 14553.8987 247.8152 -202785.9290 2663.5516 0.0000 0.0000 52033.5327 -108750.5632 299.0374 -160784.0960 -108378.6436 299.1659 266.6858 294.4315 762395.2102 8.9737 9.1594 PRESSURE: 150400 352.892 -9.97371 -82.3298 -9.97417 52.7524 338.898 -82.3309 338.898 -336.264 GPRESSURE: 150400 317.463 70.7504 -21.6046 -50.042 87.3604 361.984 -167.571 271.455 -236.262 PRESSAVG: 150400 53.3817 -72.7577 21.9167 -72.7576 -41.3168 -23.4454 21.9167 -23.4454 10.328 GPRESSAVG: 150400 53.1137 -71.0126 22.1124 -72.7299 -40.8798 -24.5378 21.5126 -22.663 10.4221 TIMING: 150400 CPU: 469.11, 0.00309265/step Wall: 469.11, 0.00309265/step, 4.16614 hours remaining, 233.882812 MB of memory in use. ENERGY: 150400 4025.1449 20403.2532 14480.3113 247.7137 -203230.9576 3087.4313 0.0000 0.0000 52292.1240 -108694.9792 300.5236 -160987.1032 -108331.2393 299.3982 23.1268 56.1871 763158.3852 7.4643 7.5520 PRESSURE: 150600 -4.6963 214.582 22.7208 214.583 111.926 -202.307 22.7211 -202.307 379.261 GPRESSURE: 150600 55.37 181.456 98.9635 116.877 219.721 -119.575 15.757 -188.208 277.097 PRESSAVG: 150600 58.7937 -59.6464 34.5144 -59.6464 -75.8589 0.191752 34.5143 0.191776 -16.6025 GPRESSAVG: 150600 59.7743 -59.2 34.9964 -61.9643 -76.7831 3.23053 35.4362 -0.675813 -16.3279 TIMING: 150600 CPU: 469.732, 0.00311001/step Wall: 469.732, 0.00311001/step, 4.18936 hours remaining, 233.882812 MB of memory in use. ENERGY: 150600 3969.4734 20639.2280 14517.5095 244.6597 -202822.8880 2860.9844 0.0000 0.0000 52000.8658 -108590.1671 298.8497 -160591.0330 -108226.9674 299.5651 162.1637 184.0626 763999.8648 -11.2226 -11.1122 PRESSURE: 150800 318.608 62.8305 -213.675 62.8305 428.225 -49.7687 -213.675 -49.768 588.187 GPRESSURE: 150800 361.801 22.0861 -419.238 104.509 416.88 39.8208 16.4171 35.234 621.578 PRESSAVG: 150800 54.1172 -48.0728 5.54912 -48.0727 -22.8915 -64.1899 5.54915 -64.1899 -3.09975 GPRESSAVG: 150800 53.9845 -46.9933 3.85114 -46.7586 -23.1066 -65.9385 4.79082 -66.3281 -2.52485 TIMING: 150800 CPU: 470.357, 0.00312159/step Wall: 470.357, 0.00312159/step, 4.20479 hours remaining, 233.882812 MB of memory in use. ENERGY: 150800 3951.3027 20280.5864 14535.4748 245.8512 -203638.3574 3298.9251 0.0000 0.0000 52423.6825 -108902.5347 301.2796 -161326.2173 -108532.3416 299.3018 445.0068 466.7530 762473.3155 9.3753 9.4510 PRESSURE: 151000 -143.5 -2.514 -3.05153 -2.51427 -70.5105 85.7326 -3.05128 85.7332 -137.932 GPRESSURE: 151000 -148.148 -77.652 73.0996 -49.4043 -44.3595 57.7322 60.3587 92.6719 -74.2196 PRESSAVG: 151000 -9.85878 29.3984 -1.6848 29.3983 -1.2648 -43.0872 -1.68479 -43.0872 2.03954 GPRESSAVG: 151000 -10.1675 29.0911 -0.853114 27.5874 -1.572 -43.2396 -1.25475 -39.147 2.63142 TIMING: 151000 CPU: 470.98, 0.00311487/step Wall: 470.98, 0.00311487/step, 4.19555 hours remaining, 233.882812 MB of memory in use. ENERGY: 151000 4032.9558 20450.7101 14464.8023 236.1978 -202794.5801 2624.8930 0.0000 0.0000 52202.0244 -108782.9966 300.0058 -160985.0210 -108425.7928 299.2070 -117.3142 -88.9089 764439.5879 -3.0280 -3.0360 PRESSURE: 151200 -305.915 -1.49624 -113.242 -1.49754 -248.415 -196.319 -113.243 -196.32 -118.011 GPRESSURE: 151200 -237.185 43.446 -120.442 -23.3626 -155.586 -256.319 -151.77 -277.639 -166.426 PRESSAVG: 151200 -17.7781 -10.4672 8.81718 -10.4672 -3.59476 -26.7968 8.81723 -26.7968 -7.69276 GPRESSAVG: 151200 -18.6953 -12.0005 10.8598 -10.6166 -3.06941 -26.315 8.91709 -29.2415 -7.84423 TIMING: 151200 CPU: 471.6, 0.00310397/step Wall: 471.6, 0.00310396/step, 4.1807 hours remaining, 233.882812 MB of memory in use. ENERGY: 151200 4120.0477 20402.8659 14416.0251 242.4942 -202964.2095 2744.0185 0.0000 0.0000 51923.5243 -109115.2339 298.4052 -161038.7581 -108744.4053 298.7071 -224.1134 -186.3989 764342.5343 -9.6885 -9.8696 PRESSURE: 151400 115.007 42.668 -57.2124 42.6681 26.774 -40.9954 -57.2125 -40.9963 -473.079 GPRESSURE: 151400 227.506 19.444 -48.0882 -8.58278 -117.252 -46.2914 -23.2822 185.047 -375.146 PRESSAVG: 151400 -5.87016 -35.3299 -20.0823 -35.3299 -22.7982 28.9682 -20.0823 28.9682 -1.61027 GPRESSAVG: 151400 -5.15056 -35.2088 -21.9612 -32.8672 -21.6978 27.2777 -20.6346 31.199 -3.05202 TIMING: 151400 CPU: 472.221, 0.00310471/step Wall: 472.221, 0.00310471/step, 4.18153 hours remaining, 233.882812 MB of memory in use. ENERGY: 151400 3936.5070 20531.2682 14475.4196 231.2125 -203314.0420 2991.4189 0.0000 0.0000 51911.9457 -109236.2701 298.3387 -161148.2158 -108879.0308 298.4348 -110.4326 -88.2974 765580.7471 -10.0929 -9.9668 PRESSURE: 151600 -78.7748 -245.735 264.035 -245.735 -287.636 26.1786 264.035 26.1788 -301.309 GPRESSURE: 151600 -56.0422 -258.183 280.204 -235.642 -287.886 79.877 186.744 64.2372 -248.44 PRESSAVG: 151600 -22.769 -23.9189 96.0292 -23.919 5.07787 -62.3992 96.0293 -62.3992 -11.9601 GPRESSAVG: 151600 -24.1878 -24.9131 96.4999 -25.57 5.40647 -61.0102 95.1301 -62.9909 -10.8082 TIMING: 151600 CPU: 472.841, 0.00309917/step Wall: 472.841, 0.00309917/step, 4.17389 hours remaining, 233.882812 MB of memory in use. ENERGY: 151600 4031.0309 20456.2735 14484.0863 253.9264 -203092.0329 2702.3835 0.0000 0.0000 51923.1265 -109241.2058 298.4029 -161164.3324 -108880.5281 298.7206 -222.5733 -197.4560 763856.7529 -9.8837 -9.8632 PRESSURE: 151800 64.1724 105.386 -38.0111 105.386 -319.272 159.095 -38.0116 159.094 -41.5499 GPRESSURE: 151800 60.5608 108.956 -23.386 133.684 -296.146 120.49 7.72431 139.438 8.54075 PRESSAVG: 151800 3.79837 4.33893 -3.81525 4.33895 -12.2037 16.252 -3.81529 16.2519 -27.8264 GPRESSAVG: 151800 5.27597 4.40286 -3.36009 2.32939 -13.7409 16.4165 -3.26761 14.9119 -28.4202 TIMING: 151800 CPU: 473.46, 0.00309556/step Wall: 473.46, 0.00309556/step, 4.16886 hours remaining, 233.882812 MB of memory in use. ENERGY: 151800 4043.6882 20517.0142 14465.1822 243.8093 -203304.4583 2972.0776 0.0000 0.0000 51878.5090 -109184.1778 298.1465 -161062.6867 -108821.2510 298.5211 -98.8831 -75.6815 763989.7502 -12.0772 -12.2951 PRESSURE: 152000 -261.642 -12.9034 53.2575 -12.9038 78.8512 -61.1428 53.2576 -61.1422 -266.782 GPRESSURE: 152000 -249.573 -38.9363 9.59647 -11.3029 131.587 -206.12 -176.162 4.26891 -241.989 PRESSAVG: 152000 -22.1291 4.76406 8.61476 4.76401 16.4609 43.5982 8.61477 43.5981 22.0931 GPRESSAVG: 152000 -23.299 6.12892 9.35774 7.27083 18.2663 43.5383 7.93403 43.5079 21.757 TIMING: 152000 CPU: 474.082, 0.00311093/step Wall: 474.082, 0.00311093/step, 4.18938 hours remaining, 233.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 152000 4009.9748 20521.5231 14495.3470 253.9606 -202800.8396 2624.1667 0.0000 0.0000 51883.3212 -109012.5463 298.1742 -160895.8674 -108655.6123 298.7630 -149.8577 -119.9918 763993.6826 5.4750 5.5748 PRESSURE: 152200 -244.821 114.567 114.607 114.568 58.7957 -201.116 114.608 -201.117 -85.9016 GPRESSURE: 152200 -204.529 243.695 108.798 53.0021 60.487 -171.027 99.4011 -157.472 -44.4891 PRESSAVG: 152200 -41.3236 1.52334 -8.07124 1.52333 18.834 -34.8195 -8.07126 -34.8195 -18.2237 GPRESSAVG: 152200 -41.2731 2.40079 -9.60041 0.699325 19.6374 -35.2811 -6.54675 -34.2548 -18.652 TIMING: 152200 CPU: 474.703, 0.00310355/step Wall: 474.703, 0.00310355/step, 4.17928 hours remaining, 233.882812 MB of memory in use. ENERGY: 152200 3977.9661 20771.5612 14468.5751 248.6282 -203141.0200 2662.0937 0.0000 0.0000 52023.3912 -108988.8046 298.9791 -161012.1958 -108629.7602 298.9728 -90.6422 -62.8437 763740.9864 -13.5711 -13.4292 LDB: ============= START OF LOAD BALANCING ============== 487.178 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 487.178 LDB: =============== DONE WITH MIGRATION ================ 487.18 LDB: ============= START OF LOAD BALANCING ============== 487.49 LDB: Largest compute 7052 load 0.029743 is 15.3% of average load 0.194709 LDB: Average compute 0.004392 is 2.3% of average load 0.194709 LDB: TIME 487.493 LOAD: AVG 0.194709 MAX 0.214746 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.352 MB LDB: TIME 487.494 LOAD: AVG 0.194709 MAX 0.214746 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.352 MB LDB: TIME 487.494 LOAD: AVG 0.194709 MAX 0.214746 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.352 MB LDB: ============== END OF LOAD BALANCING =============== 487.496 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 487.5 PRESSURE: 152400 -66.912 47.573 55.1024 47.5734 315.813 62.055 55.1025 62.055 -41.4906 GPRESSURE: 152400 -6.10915 56.0277 31.8184 41.7243 309.81 -9.34626 28.8976 124.79 2.04054 PRESSAVG: 152400 -34.8692 32.4248 -21.7979 32.4247 25.7504 -13.7205 -21.7978 -13.7205 -18.523 GPRESSAVG: 152400 -34.3909 32.2937 -21.6944 32.7989 25.0254 -13.1601 -21.7249 -13.8326 -17.3118 TIMING: 152400 CPU: 475.335, 0.00315672/step Wall: 475.335, 0.00315672/step, 4.25069 hours remaining, 233.792969 MB of memory in use. ENERGY: 152400 4094.4584 20632.9806 14509.0704 252.2651 -203277.2830 3097.3655 0.0000 0.0000 51750.8683 -108940.2747 297.4130 -160691.1430 -108586.6516 299.4207 69.1367 101.9139 762797.9697 -9.2139 -8.8924 PRESSURE: 152600 -284.675 17.5748 -207.822 17.5751 -332.425 -79.0991 -207.823 -79.1007 -241.344 GPRESSURE: 152600 -315.88 -55.2229 -126.657 79.7046 -333.317 -179.044 -83.9779 -108.229 -126.242 PRESSAVG: 152600 -41.2519 -9.52049 -10.1332 -9.52051 18.5433 -20.5686 -10.1332 -20.5686 -7.55249 GPRESSAVG: 152600 -41.801 -11.2854 -9.23732 -9.80836 18.4619 -19.4474 -10.3447 -21.2505 -7.52993 TIMING: 152600 CPU: 475.955, 0.0030999/step Wall: 475.955, 0.0030999/step, 4.17401 hours remaining, 233.992188 MB of memory in use. ENERGY: 152600 4045.8825 20411.0388 14480.7867 246.2340 -203230.4403 2608.0872 0.0000 0.0000 52489.9168 -108948.4944 301.6603 -161438.4112 -108574.2567 299.7740 -286.1482 -258.4795 764396.1899 -10.0870 -10.2896 PRESSURE: 152800 -87.7045 29.6038 81.3897 29.6026 -217.039 -282.77 81.3899 -282.77 -255.362 GPRESSURE: 152800 -156.959 39.232 122.06 -3.02091 -179.315 -174.185 7.26474 -190.305 -124.385 PRESSAVG: 152800 -20.1902 -36.5075 -39.7859 -36.5075 34.4174 -44.8213 -39.7859 -44.8213 -17.1597 GPRESSAVG: 152800 -19.5707 -35.3786 -41.0415 -35.9231 33.8798 -46.2302 -39.9073 -44.2503 -17.4199 TIMING: 152800 CPU: 476.573, 0.00309174/step Wall: 476.573, 0.00309174/step, 4.16285 hours remaining, 233.992188 MB of memory in use. ENERGY: 152800 4111.0603 20418.3001 14557.1858 251.8510 -203009.5999 2776.6983 0.0000 0.0000 52206.4075 -108688.0968 300.0309 -160894.5043 -108323.0087 299.3150 -186.7020 -153.5531 765197.7914 -0.9775 -1.0369 PRESSURE: 153000 270.776 43.3937 -249.336 43.393 11.8148 46.0988 -249.335 46.0982 541.1 GPRESSURE: 153000 268.907 76.8722 -283.572 -23.7134 112.153 -11.0019 -132.805 29.2666 520.822 PRESSAVG: 153000 17.1611 -12.8459 -40.1183 -12.8459 -1.44979 -52.7291 -40.1184 -52.7291 -18.422 GPRESSAVG: 153000 16.6131 -12.009 -38.646 -14.3115 -1.40999 -51.5628 -40.972 -51.1849 -17.9363 TIMING: 153000 CPU: 477.194, 0.00310763/step Wall: 477.194, 0.00310763/step, 4.18408 hours remaining, 234.226562 MB of memory in use. ENERGY: 153000 4016.0203 20409.8040 14507.5915 254.7932 -203268.4375 3112.9944 0.0000 0.0000 52084.5133 -108882.7208 299.3304 -160967.2342 -108526.4884 299.2903 274.5633 300.6276 762929.8104 -0.9036 -0.9111 PRESSURE: 153200 -176.847 200.358 -14.5434 200.358 -72.2807 215.892 -14.5441 215.891 36.3299 GPRESSURE: 153200 -145.107 222.492 -43.4921 71.7433 -4.72018 106.698 77.3318 210.749 22.3939 PRESSAVG: 153200 56.7282 -57.4781 15.8817 -57.478 -40.931 -34.1271 15.8817 -34.1271 31.7955 GPRESSAVG: 153200 59.1434 -58.7632 16.392 -57.8615 -41.8152 -36.0738 17.2147 -32.3218 30.1541 TIMING: 153200 CPU: 477.816, 0.00310907/step Wall: 477.816, 0.00310907/step, 4.18585 hours remaining, 234.226562 MB of memory in use. ENERGY: 153200 4058.7241 20321.2078 14453.0618 238.1600 -202874.5499 2821.2707 0.0000 0.0000 52103.4340 -108878.6914 299.4392 -160982.1254 -108518.8499 299.0064 -70.9325 -42.4778 762717.2798 15.8642 15.8274 PRESSURE: 153400 -284.556 -19.3613 -195.818 -19.3621 90.1799 -128.35 -195.818 -128.351 392.127 GPRESSURE: 153400 -161.883 -87.8124 -218.285 18.5013 -0.881277 -60.9113 -82.798 -221.428 425.184 PRESSAVG: 153400 47.8745 -22.4402 56.0577 -22.4403 -61.7392 -39.4519 56.0577 -39.4518 -30.5457 GPRESSAVG: 153400 45.6398 -21.7267 56.1069 -21.0032 -61.065 -38.9521 55.2921 -41.6343 -28.8122 TIMING: 153400 CPU: 478.435, 0.00309458/step Wall: 478.435, 0.00309458/step, 4.16617 hours remaining, 234.226562 MB of memory in use. ENERGY: 153400 3999.5392 20380.1683 14495.5916 231.4103 -202820.0420 2666.1168 0.0000 0.0000 52003.0609 -109044.1551 298.8623 -161047.2160 -108678.8599 299.0071 65.9169 87.4732 760857.6705 -14.8035 -14.7458 PRESSURE: 153600 -81.6927 207.171 -111.217 207.171 88.1855 265.19 -111.218 265.19 37.0441 GPRESSURE: 153600 -51.3306 318.686 -134.324 197.091 139.482 288.828 -88.5942 143.193 33.9703 PRESSAVG: 153600 -4.3225 -31.9142 -16.7103 -31.9142 79.8868 -43.7613 -16.7103 -43.7612 26.5564 GPRESSAVG: 153600 -4.10587 -31.2113 -17.4278 -31.9428 81.0966 -41.6542 -16.2057 -44.5056 25.2857 TIMING: 153600 CPU: 479.058, 0.00311229/step Wall: 479.058, 0.00311229/step, 4.18984 hours remaining, 234.226562 MB of memory in use. ENERGY: 153600 4052.9900 20581.9642 14509.3102 246.8526 -203189.5701 2920.8007 0.0000 0.0000 52176.6127 -108701.0397 299.8597 -160877.6524 -108343.6177 299.2871 14.5123 40.7072 763256.2887 34.0402 34.0922 PRESSURE: 153800 10.7306 -137.452 223.001 -137.452 -64.3123 -2.52971 223 -2.5309 -140.215 GPRESSURE: 153800 108.844 -145.784 274.137 -201.204 -72.4602 14.1136 132.84 -6.28635 -143.507 PRESSAVG: 153800 -1.57067 -18.6435 9.04835 -18.6436 -5.07271 -8.57176 9.04833 -8.5718 15.8043 GPRESSAVG: 153800 -1.42766 -18.7685 8.27304 -18.9154 -5.36282 -11.3755 7.41758 -7.40074 15.8053 TIMING: 153800 CPU: 479.68, 0.00311376/step Wall: 479.68, 0.00311376/step, 4.19164 hours remaining, 234.226562 MB of memory in use. ENERGY: 153800 4036.6053 20529.0505 14476.1380 244.6997 -202645.7102 2418.4181 0.0000 0.0000 52456.5485 -108484.2501 301.4685 -160940.7986 -108111.9866 299.7536 -64.5988 -35.7080 764250.6541 3.0536 3.0049 PRESSURE: 154000 -194.183 42.1742 -198.927 42.1746 -150.721 -200.226 -198.926 -200.226 42.486 GPRESSURE: 154000 -128.102 59.8996 -160.636 113.002 -177.001 -199.533 -100.845 -187.47 80.7813 PRESSAVG: 154000 -32.3602 19.4712 -3.93043 19.4712 19.7389 -50.5818 -3.93045 -50.5817 -31.3966 GPRESSAVG: 154000 -33.2115 18.528 -3.14295 22.8201 20.5585 -50.1482 -1.65919 -51.4529 -31.2307 TIMING: 154000 CPU: 480.302, 0.00310743/step Wall: 480.302, 0.00310743/step, 4.18295 hours remaining, 234.226562 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: 154000 4054.0130 20442.1228 14542.4137 261.7209 -202442.5439 2515.1770 0.0000 0.0000 52130.0534 -108497.0432 299.5921 -160627.0966 -108139.5623 300.0584 -100.8060 -74.7741 762370.1834 -14.6726 -14.6279 PRESSURE: 154200 -17.8299 155.349 23.9049 155.349 -419.113 -257.765 23.9046 -257.764 81.58 GPRESSURE: 154200 46.0181 84.0868 -1.92853 126.613 -325.076 -167.082 118.98 -146.014 11.549 PRESSAVG: 154200 -24.6725 -1.31016 14.0696 -1.31015 31.752 -30.3048 14.0695 -30.3048 4.86967 GPRESSAVG: 154200 -24.2011 -2.04549 13.2361 -2.86621 30.2427 -29.5474 12.1606 -30.9597 5.78199 TIMING: 154200 CPU: 480.924, 0.00310934/step Wall: 480.924, 0.00310934/step, 4.18535 hours remaining, 234.226562 MB of memory in use. ENERGY: 154200 3979.4853 20781.9535 14556.2934 246.1944 -202510.5744 2457.0968 0.0000 0.0000 52076.2577 -108413.2932 299.2830 -160489.5509 -108054.9284 300.1156 -118.4543 -89.1697 762824.1731 3.9831 3.9412 PRESSURE: 154400 -55.7968 -133.657 -112.715 -133.657 -291.681 39.2954 -112.714 39.2965 57.1026 GPRESSURE: 154400 -68.5336 -189.238 -165.89 -209.413 -278.769 122.859 -85.686 65.6993 146.847 PRESSAVG: 154400 -48.5328 -4.33103 -21.5064 -4.33105 14.5942 21.5858 -21.5065 21.5859 7.91624 GPRESSAVG: 154400 -48.2016 -2.81123 -21.5712 -4.50483 14.7712 22.3658 -19.8916 20.9941 7.7317 TIMING: 154400 CPU: 481.547, 0.00311603/step Wall: 481.547, 0.00311603/step, 4.19418 hours remaining, 234.226562 MB of memory in use. ENERGY: 154400 4031.1272 20788.6995 14496.3791 267.3516 -202880.0155 2716.3473 0.0000 0.0000 52309.1035 -108271.0073 300.6211 -160580.1108 -107913.5725 300.1809 -96.7916 -66.8186 763373.0600 -8.6741 -8.5662 PRESSURE: 154600 -184.566 196.913 51.9823 196.913 -316.539 135.746 51.982 135.746 -307.768 GPRESSURE: 154600 -173.919 174.809 44.172 194.974 -252.168 123.952 96.7788 141.484 -290.175 PRESSAVG: 154600 -29.7688 -21.6553 6.34403 -21.6553 38.629 -18.706 6.34401 -18.706 -11.9496 GPRESSAVG: 154600 -30.6629 -23.2273 6.37337 -21.0121 39.4678 -19.105 5.71087 -18.5551 -11.9436 TIMING: 154600 CPU: 482.17, 0.0031142/step Wall: 482.17, 0.0031142/step, 4.19154 hours remaining, 234.226562 MB of memory in use. ENERGY: 154600 4035.6657 20575.0669 14531.5940 238.8349 -202428.7509 2389.0638 0.0000 0.0000 52319.5662 -108338.9594 300.6813 -160658.5256 -107953.3753 300.8728 -269.6246 -238.7537 763506.8504 -1.0298 -1.0463 PRESSURE: 154800 -258.647 -31.1073 179.777 -31.1071 -161.917 -56.854 179.778 -56.854 -186.079 GPRESSURE: 154800 -213.163 145.459 218.154 2.39986 -118.438 -47.1623 223.801 -175.828 -185.502 PRESSAVG: 154800 -26.5534 -3.15419 -11.8978 -3.15417 -10.2627 34.3685 -11.8978 34.3684 -1.74881 GPRESSAVG: 154800 -25.2306 0.606347 -11.1458 -4.31821 -10.5391 32.5426 -11.1457 35.5016 -2.61678 TIMING: 154800 CPU: 482.79, 0.00310337/step Wall: 482.79, 0.00310337/step, 4.17679 hours remaining, 234.226562 MB of memory in use. ENERGY: 154800 4115.4535 20653.5053 14478.3196 245.5434 -203170.3106 2882.4924 0.0000 0.0000 52329.0498 -108465.9466 300.7358 -160794.9963 -108094.5979 299.9808 -202.2143 -172.3677 762671.0159 -12.8549 -12.7955 PRESSURE: 155000 -134.798 -27.2805 177.533 -27.281 -314.327 96.6437 177.533 96.6437 -235.958 GPRESSURE: 155000 -165.476 -186.045 218.678 37.0708 -258.569 38.9262 171.507 97.1171 -167.917 PRESSAVG: 155000 18.3798 7.04465 7.91446 7.04466 1.75576 29.8333 7.91449 29.8333 19.5929 GPRESSAVG: 155000 17.6311 2.66108 7.37617 7.64868 0.674398 29.5971 7.48852 28.0054 21.7992 TIMING: 155000 CPU: 483.417, 0.00313199/step Wall: 483.417, 0.00313199/step, 4.21514 hours remaining, 234.226562 MB of memory in use. ENERGY: 155000 4114.8373 20449.1584 14500.6646 242.7235 -202674.3630 2505.5504 0.0000 0.0000 52412.1817 -108449.2471 301.2135 -160861.4288 -108094.0292 299.9522 -228.3608 -197.3209 762846.0397 13.2428 13.3682 PRESSURE: 155200 -216.73 -209.601 -7.46177 -209.602 -180.684 149.312 -7.46176 149.312 -188.317 GPRESSURE: 155200 -112.901 -157.083 -93.1871 -163.189 -197.082 179.608 -101.395 233.463 -192.603 PRESSAVG: 155200 -19.0485 -8.57274 45.0842 -8.57271 20.0869 -42.9381 45.0842 -42.938 -17.833 GPRESSAVG: 155200 -18.5384 -7.72835 44.7164 -7.91463 21.6101 -40.9111 43.3996 -42.4131 -20.2207 TIMING: 155200 CPU: 484.041, 0.00312264/step Wall: 484.041, 0.00312264/step, 4.20238 hours remaining, 234.226562 MB of memory in use. ENERGY: 155200 4168.8144 20577.4008 14471.6192 234.5927 -202580.6480 2566.5177 0.0000 0.0000 52046.6136 -108515.0896 299.1126 -160561.7032 -108154.1714 300.1629 -195.2436 -167.5286 763465.8231 -5.5982 -5.7163 PRESSURE: 155400 -141.65 -111.622 263.054 -111.621 -523.142 132.772 263.054 132.772 -163.052 GPRESSURE: 155400 -212.94 -73.8231 326.858 -113.303 -372.905 149.765 195.11 104.367 -165.628 PRESSAVG: 155400 -36.0297 -7.56674 24.092 -7.56666 48.2377 -19.5166 24.092 -19.5166 -0.313583 GPRESSAVG: 155400 -36.5549 -3.8018 26.1634 -8.27038 47.3436 -19.9436 25.2843 -16.8554 0.992643 TIMING: 155400 CPU: 484.661, 0.00310079/step Wall: 484.661, 0.00310079/step, 4.17281 hours remaining, 234.226562 MB of memory in use. ENERGY: 155400 3944.3244 20744.5899 14520.8348 242.4508 -202797.3368 2608.5184 0.0000 0.0000 52356.3564 -108380.2622 300.8927 -160736.6186 -108010.5040 300.0014 -275.9480 -250.4911 762235.0715 3.9648 3.9271 PRESSURE: 155600 -324.436 -106.979 160.291 -106.979 -116.971 -224.968 160.291 -224.967 -145.12 GPRESSURE: 155600 -383.02 -122.438 147.377 -18.3909 -17.62 -350.973 -17.9849 -267.86 -92.808 PRESSAVG: 155600 17.1595 16.9484 -51.0535 16.9484 -35.8578 0.158123 -51.0536 0.158143 13.9966 GPRESSAVG: 155600 17.0691 14.253 -53.1887 16.9833 -34.4004 0.397195 -52.3762 -1.33556 12.8414 TIMING: 155600 CPU: 485.288, 0.00313125/step Wall: 485.288, 0.00313125/step, 4.21362 hours remaining, 234.226562 MB of memory in use. ENERGY: 155600 4027.9430 20549.2127 14522.9824 242.8439 -202724.9585 2407.6400 0.0000 0.0000 52292.4273 -108681.9092 300.5253 -160974.3366 -108321.0123 300.0037 -195.5089 -164.4827 762288.7582 -1.5672 -1.4967 PRESSURE: 155800 -106.966 -62.1228 -35.7976 -62.1224 74.6819 -51.564 -35.7973 -51.5635 -204.441 GPRESSURE: 155800 -14.953 -30.4466 58.8622 -220.016 -19.1408 -150.635 -224.849 -39.4324 -120.528 PRESSAVG: 155800 -30.9823 -18.3789 -67.0537 -18.3789 18.7851 59.475 -67.0537 59.4751 -14.0348 GPRESSAVG: 155800 -31.4021 -16.0563 -66.3276 -19.1005 17.8876 61.7409 -67.3886 56.5329 -12.6823 TIMING: 155800 CPU: 485.91, 0.00311271/step Wall: 485.91, 0.00311271/step, 4.1885 hours remaining, 234.226562 MB of memory in use. ENERGY: 155800 3927.1808 20717.0000 14534.6972 250.2526 -203031.2130 2646.1843 0.0000 0.0000 52162.1382 -108793.7600 299.7765 -160955.8982 -108432.8480 299.8828 -78.9083 -51.5406 762549.1326 -8.7440 -8.7322 PRESSURE: 156000 -210.361 71.3282 155.286 71.3285 -295.349 404.67 155.285 404.671 160.45 GPRESSURE: 156000 -196.233 -44.1556 113.761 -29.8337 -212.27 392.554 168.149 391.488 151.845 PRESSAVG: 156000 -14.2605 -25.9827 -67.4322 -25.9827 23.9176 64.4755 -67.4322 64.4756 8.96273 GPRESSAVG: 156000 -13.5381 -31.0111 -66.4812 -24.5322 23.3473 63.336 -66.1224 66.2707 8.91125 TIMING: 156000 CPU: 486.531, 0.00310411/step Wall: 486.531, 0.00310411/step, 4.17675 hours remaining, 234.226562 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: 156000 3982.0459 20524.8825 14477.9542 256.9732 -203463.0411 3010.9373 0.0000 0.0000 52302.7363 -108907.5117 300.5845 -161210.2480 -108543.0722 299.3096 -115.0863 -85.5525 765072.8514 6.2066 6.2401 PRESSURE: 156200 -14.9624 -67.3657 -11.8224 -67.3662 -192.976 -63.7598 -11.8219 -63.7601 -202.72 GPRESSURE: 156200 -19.8036 -93.9134 -21.732 -123.172 -113.124 -25.031 -128.474 -88.6378 -199.542 PRESSAVG: 156200 -48.2479 -16.3097 -34.1563 -16.3096 45.432 80.5491 -34.1562 80.5492 -9.17226 GPRESSAVG: 156200 -48.2035 -13.6658 -35.4449 -17.5768 44.9374 80.3158 -34.5124 80.782 -8.55786 TIMING: 156200 CPU: 487.161, 0.00314964/step Wall: 487.161, 0.00314964/step, 4.23784 hours remaining, 234.226562 MB of memory in use. ENERGY: 156200 3960.1785 20677.9508 14496.7613 243.5792 -202924.7421 2583.5764 0.0000 0.0000 51832.5754 -109130.1205 297.8825 -160962.6959 -108774.1177 299.2023 -136.8862 -110.8233 762731.8654 -3.9960 -3.9413 LDB: ============= START OF LOAD BALANCING ============== 499.642 LDB: ============== END OF LOAD BALANCING =============== 499.642 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 499.643 LDB: ============= START OF LOAD BALANCING ============== 499.957 LDB: Largest compute 7052 load 0.029887 is 15.4% of average load 0.194577 LDB: Average compute 0.004401 is 2.3% of average load 0.194577 LDB: TIME 499.961 LOAD: AVG 0.194577 MAX 0.215005 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 232.801 MB LDB: TIME 499.961 LOAD: AVG 0.194577 MAX 0.215005 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.801 MB LDB: TIME 499.961 LOAD: AVG 0.194577 MAX 0.215005 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.801 MB LDB: ============== END OF LOAD BALANCING =============== 499.963 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 499.968 PRESSURE: 156400 -26.3139 -45.1312 124.677 -45.1309 -257.645 147.984 124.676 147.985 -278.79 GPRESSURE: 156400 -35.524 -81.8676 98.1734 -113.658 -176.441 173.672 101.905 209.942 -256.014 PRESSAVG: 156400 2.91567 -31.8436 -20.0369 -31.8437 -2.48703 53.1775 -20.0369 53.1775 -11.972 GPRESSAVG: 156400 1.59177 -32.727 -19.0595 -31.5239 -0.765545 51.759 -21.2007 53.3397 -12.2139 TIMING: 156400 CPU: 487.802, 0.00320711/step Wall: 487.802, 0.00320711/step, 4.31499 hours remaining, 234.394531 MB of memory in use. ENERGY: 156400 3953.4897 20666.2206 14482.2789 265.4239 -203531.0929 3023.6910 0.0000 0.0000 52084.1506 -109055.8382 299.3283 -161139.9888 -108695.5623 298.3738 -187.5830 -155.9932 763013.7307 -3.8478 -3.7959 PRESSURE: 156600 -199.758 163.321 -170.141 163.32 -4.57279 -61.6075 -170.14 -61.6072 27.0737 GPRESSURE: 156600 -192.588 71.1582 -141.559 114.918 98.9943 22.7689 -252.005 -13.4871 16.5071 PRESSAVG: 156600 -43.4072 7.99697 -22.6467 7.99694 29.1233 -23.3482 -22.6468 -23.3481 0.592877 GPRESSAVG: 156600 -42.8977 8.17698 -21.2603 6.87941 30.1782 -20.3666 -21.0055 -23.6619 -0.500643 TIMING: 156600 CPU: 488.426, 0.00311666/step Wall: 488.426, 0.00311666/step, 4.19312 hours remaining, 234.460938 MB of memory in use. ENERGY: 156600 3993.6619 20602.6509 14474.4412 238.9300 -203027.0640 2772.6566 0.0000 0.0000 51844.8717 -109099.8516 297.9532 -160944.7233 -108749.8544 298.6438 -59.0856 -25.6954 762553.9246 -4.5637 -4.4067 PRESSURE: 156800 -86.3782 -1.45491 -26.4714 -1.45511 -421.206 146.078 -26.4718 146.078 -39.7047 GPRESSURE: 156800 -156.061 7.65694 -61.5022 -26.5399 -317.506 80.4716 -85.7637 174.215 -0.314372 PRESSAVG: 156800 10.6745 -3.2572 11.3558 -3.25722 23.577 -63.1022 11.3558 -63.1021 -9.36376 GPRESSAVG: 156800 11.2578 -2.24576 10.562 -0.932648 22.7291 -64.7729 10.2747 -61.4883 -8.64883 TIMING: 156800 CPU: 489.053, 0.00313427/step Wall: 489.053, 0.00313427/step, 4.21664 hours remaining, 234.863281 MB of memory in use. ENERGY: 156800 3986.9815 20595.8006 14480.1323 275.9072 -202684.0408 2474.4114 0.0000 0.0000 51874.6072 -108996.2007 298.1241 -160870.8079 -108623.4052 298.4345 -182.4296 -157.9607 763841.2172 8.2959 8.4460 PRESSURE: 157000 336.986 -14.5555 137.588 -14.5558 103.844 105.206 137.586 105.207 -25.5423 GPRESSURE: 157000 335.088 -9.50748 157.62 101.913 215.603 71.5337 -51.4663 21.0196 -53.8896 PRESSAVG: 157000 -36.0722 -17.5995 -14.9005 -17.5995 5.89702 -4.98112 -14.9004 -4.9812 -10.9482 GPRESSAVG: 157000 -36.5951 -18.79 -15.916 -18.0804 6.73529 -4.15829 -14.0334 -7.12493 -11.2343 TIMING: 157000 CPU: 489.679, 0.00313011/step Wall: 489.679, 0.00313011/step, 4.21086 hours remaining, 234.863281 MB of memory in use. ENERGY: 157000 3993.3684 20464.0270 14432.7963 254.6345 -202695.6810 2832.2207 0.0000 0.0000 51690.8624 -109027.7716 297.0681 -160718.6340 -108660.5172 298.4486 138.4291 165.6005 763658.4583 -13.7078 -13.6980 PRESSURE: 157200 -212.781 81.8626 -389.98 81.8624 25.3924 -50.9247 -389.981 -50.9254 1.30832 GPRESSURE: 157200 -101.11 50.4684 -436.75 167.888 -4.61124 48.8736 -316.546 -56.324 7.22967 PRESSAVG: 157200 -18.4015 -11.5712 -43.6528 -11.5712 40.3338 -27.8329 -43.6527 -27.8329 13.0182 GPRESSAVG: 157200 -16.7932 -11.5853 -43.5741 -11.5853 38.7273 -27.8893 -43.9959 -26.4805 13.2364 TIMING: 157200 CPU: 490.306, 0.00313605/step Wall: 490.306, 0.00313605/step, 4.21869 hours remaining, 234.863281 MB of memory in use. ENERGY: 157200 4005.0768 20569.2062 14514.7823 261.6846 -202919.7959 2396.9869 0.0000 0.0000 52103.9942 -109068.0649 299.4424 -161172.0591 -108706.6778 298.3392 -62.0268 -32.8306 762951.1837 11.6502 11.7235 PRESSURE: 157400 -403.416 54.315 -164.112 54.3154 -120.85 70.9315 -164.111 70.9321 -19.5471 GPRESSURE: 157400 -393.98 102.03 -151.92 43.1892 -84.402 81.756 -183.529 86.4429 24.2027 PRESSAVG: 157400 -30.7 -38.6909 -24.2969 -38.6908 65.3416 42.2797 -24.297 42.2798 10.8319 GPRESSAVG: 157400 -31.7972 -39.6914 -24.8561 -38.1652 66.6424 42.2478 -22.9246 42.4965 10.5018 TIMING: 157400 CPU: 490.937, 0.00315357/step Wall: 490.937, 0.00315357/step, 4.24207 hours remaining, 234.863281 MB of memory in use. ENERGY: 157400 4086.9461 20465.6185 14452.1820 251.3849 -202692.1728 2534.7159 0.0000 0.0000 51695.4328 -109205.8926 297.0944 -160901.3254 -108845.3947 298.6334 -181.2709 -151.3931 762523.8532 15.1578 15.1157 PRESSURE: 157600 -263.344 -196.251 181.133 -196.25 -46.4471 -131.633 181.134 -131.632 135.607 GPRESSURE: 157600 -165.124 -150.515 128.712 -109.785 -85.1234 -120.693 217.849 -95.3489 150.316 PRESSAVG: 157600 28.3276 -30.5831 -37.5855 -30.5832 -5.38529 -8.90276 -37.5854 -8.90276 -4.59867 GPRESSAVG: 157600 28.6795 -28.9127 -36.6537 -31.2843 -5.50738 -10.8758 -38.4174 -7.68644 -4.92855 TIMING: 157600 CPU: 491.563, 0.00313331/step Wall: 491.563, 0.00313331/step, 4.21465 hours remaining, 234.863281 MB of memory in use. ENERGY: 157600 3901.0955 20501.3632 14378.1021 245.8768 -202588.5047 2462.1183 0.0000 0.0000 51897.4672 -109202.4816 298.2555 -161099.9488 -108837.3686 297.8398 -58.0616 -33.3103 762932.9028 6.1145 6.0812 PRESSURE: 157800 96.9145 58.7743 80.9473 58.774 -9.20112 90.5679 80.9473 90.5671 199.267 GPRESSURE: 157800 227.714 132.857 -33.5564 -36.9263 -34.687 82.9677 45.3492 85.0403 152.696 PRESSAVG: 157800 -9.23889 -12.6894 -31.1473 -12.6894 -12.7225 -58.3902 -31.1473 -58.3902 -26.326 GPRESSAVG: 157800 -9.30962 -11.027 -31.3692 -13.5929 -13.3518 -58.0727 -33.3672 -59.1255 -25.9757 TIMING: 157800 CPU: 492.191, 0.00313702/step Wall: 492.191, 0.00313702/step, 4.21947 hours remaining, 234.863281 MB of memory in use. ENERGY: 157800 4029.7609 20670.1649 14504.1966 236.0990 -203009.0578 2771.9250 0.0000 0.0000 51849.7558 -108947.1557 297.9813 -160796.9115 -108588.2598 298.3653 95.6601 115.2411 762883.1039 -16.0958 -16.2124 PRESSURE: 158000 -93.0817 104.426 -149.266 104.425 140.543 169.031 -149.266 169.031 -38.3639 GPRESSURE: 158000 -49.649 72.9754 -176.559 126.53 173.435 152.098 -96.5805 235.55 -31.0606 PRESSAVG: 158000 -50.9356 5.85476 22.1393 5.85477 17.4038 12.6175 22.1394 12.6176 -15.0908 GPRESSAVG: 158000 -50.7944 3.78417 22.3824 7.56004 18.1471 13.7229 24.7873 10.7021 -16.485 TIMING: 158000 CPU: 492.822, 0.00315914/step Wall: 492.822, 0.00315914/step, 4.24904 hours remaining, 235.066406 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: 158000 4011.7576 20398.6318 14525.8263 239.8175 -202835.7113 2773.5882 0.0000 0.0000 51846.9843 -109039.1055 297.9653 -160886.0898 -108669.3467 298.5180 3.0325 30.9086 763188.2767 -16.2075 -16.3774 PRESSURE: 158200 -38.7944 -116.797 -132.648 -116.797 220.464 -88.552 -132.648 -88.5512 235.502 GPRESSURE: 158200 63.8954 -160.063 -165.285 -187.318 189.265 -93.5547 -10.3881 -31.4162 239.351 PRESSAVG: 158200 -14.6624 3.21226 -22.1279 3.21216 35.5354 -8.83007 -22.1279 -8.82997 3.62046 GPRESSAVG: 158200 -15.7085 4.10447 -22.3077 2.81122 33.9324 -8.92483 -22.7266 -6.59308 5.33768 TIMING: 158200 CPU: 493.447, 0.00312025/step Wall: 493.447, 0.00312025/step, 4.19657 hours remaining, 235.066406 MB of memory in use. ENERGY: 158200 3887.9049 20456.9976 14490.4794 250.1652 -203056.8344 2877.3656 0.0000 0.0000 52078.3131 -109015.6085 299.2948 -161093.9217 -108655.6694 298.5097 139.0573 164.1705 763490.8590 8.1645 7.8539 PRESSURE: 158400 -294.431 89.6348 5.88562 89.6355 254.414 -30.0469 5.88564 -30.0468 125.363 GPRESSURE: 158400 -267.042 80.6491 94.2418 -10.5031 273.27 -46.6919 -1.79836 53.4216 150.702 PRESSAVG: 158400 -24.4565 -9.39861 -13.065 -9.39866 0.371165 19.6996 -13.065 19.6996 12.9257 GPRESSAVG: 158400 -24.3837 -10.0867 -12.3418 -9.58546 1.08952 20.6478 -14.9883 17.2221 12.1971 TIMING: 158400 CPU: 494.068, 0.00310745/step Wall: 494.068, 0.00310745/step, 4.17918 hours remaining, 235.066406 MB of memory in use. ENERGY: 158400 3963.1343 20497.7415 14523.5485 229.3633 -202779.7112 2777.3764 0.0000 0.0000 52137.5885 -108650.9587 299.6354 -160788.5472 -108286.1909 298.7744 28.4489 52.3100 764081.9861 -3.7199 -3.6990 PRESSURE: 158600 71.057 -148.7 -36.2971 -148.699 354.626 33.0834 -36.2972 33.0836 165.037 GPRESSURE: 158600 210.682 -21.837 -33.9611 -192.446 280.295 -29.0289 -80.6441 117.287 201.838 PRESSAVG: 158600 -5.42638 -38.9807 -19.9583 -38.9806 13.1669 9.87202 -19.9583 9.87201 -2.29709 GPRESSAVG: 158600 -5.35225 -38.9952 -19.408 -38.4423 13.043 9.93477 -18.9975 11.4282 -2.17326 TIMING: 158600 CPU: 494.696, 0.00313859/step Wall: 494.696, 0.00313859/step, 4.22088 hours remaining, 235.066406 MB of memory in use. ENERGY: 158600 3952.9749 20442.5595 14484.1157 252.6241 -202979.6135 3062.5076 0.0000 0.0000 52002.2677 -108782.5642 298.8577 -160784.8318 -108431.8415 299.7945 196.9066 230.9382 764104.3940 1.8145 1.8392 PRESSURE: 158800 69.531 63.3187 -174.212 63.3178 -314.544 -53.2072 -174.213 -53.2069 15.23 GPRESSURE: 158800 5.46253 39.752 -195.226 98.8158 -210.174 29.7636 -42.7562 -152.391 65.8345 PRESSAVG: 158800 -8.16682 -69.2225 7.40702 -69.2226 -43.6548 -73.4049 7.40701 -73.4048 26.7127 GPRESSAVG: 158800 -8.3777 -67.2564 7.55703 -68.6349 -43.547 -74.3081 6.95907 -73.1172 26.539 TIMING: 158800 CPU: 495.326, 0.00315231/step Wall: 495.326, 0.00315232/step, 4.23916 hours remaining, 235.066406 MB of memory in use. ENERGY: 158800 3835.2736 20494.5226 14487.4332 249.9519 -202636.9100 2789.3130 0.0000 0.0000 51972.5050 -108807.9107 298.6867 -160780.4157 -108444.7624 298.6319 -76.5945 -46.2925 765592.3939 -8.3696 -8.4619 PRESSURE: 159000 -169.179 -103.66 -163.24 -103.659 161.716 187.886 -163.24 187.885 -165.783 GPRESSURE: 159000 -149.093 -65.2614 -232.391 -83.1427 175.888 168.649 -47.0377 240.726 -106.671 PRESSAVG: 159000 7.92792 19.4594 -46.3958 19.4594 43.2092 4.66287 -46.3959 4.66279 -6.03226 GPRESSAVG: 159000 8.82106 17.9289 -47.1805 19.308 42.1129 4.00323 -43.7641 4.76149 -5.94378 TIMING: 159000 CPU: 495.957, 0.00315513/step Wall: 495.957, 0.00315513/step, 4.24277 hours remaining, 235.066406 MB of memory in use. ENERGY: 159000 3967.4102 20464.1989 14470.4478 246.1054 -203062.9987 2997.6474 0.0000 0.0000 51992.9827 -108924.2063 298.8044 -160917.1890 -108549.5648 298.7685 -57.7485 -26.6253 763195.2766 15.0350 14.9967 PRESSURE: 159200 -122.824 20.3375 -242.409 20.3368 -210.361 178.375 -242.41 178.375 75.5507 GPRESSURE: 159200 -119.838 -57.2832 -168.707 39.9813 -135.822 160.169 -310.122 74.0991 92.6438 PRESSAVG: 159200 -35.2811 -21.001 -32.9615 -21.001 12.5458 9.76596 -32.9614 9.76593 -9.68212 GPRESSAVG: 159200 -37.3471 -21.4582 -32.847 -21.5787 14.4797 9.3297 -33.6288 8.74991 -9.92014 TIMING: 159200 CPU: 496.585, 0.00313996/step Wall: 496.585, 0.00313996/step, 4.2222 hours remaining, 235.066406 MB of memory in use. ENERGY: 159200 3927.9898 20510.7133 14342.2470 235.5516 -202917.2027 2716.2034 0.0000 0.0000 52262.5192 -108921.9784 300.3534 -161184.4976 -108561.1337 298.7995 -85.8779 -54.3386 766273.4950 -10.8058 -10.9292 PRESSURE: 159400 225.817 190.322 -120.003 190.322 334.398 -34.0923 -120.004 -34.0936 -174.359 GPRESSURE: 159400 277.921 243.786 -165.205 173.913 363.155 -127.694 -40.6038 36.3481 -197.24 PRESSAVG: 159400 1.43749 -20.7919 0.919937 -20.7919 -18.0278 -1.45785 0.919908 -1.45789 -10.524 GPRESSAVG: 159400 3.6873 -20.5358 0.58706 -20.0414 -20.2837 0.0699438 1.20119 -1.14585 -10.2472 TIMING: 159400 CPU: 497.211, 0.00312675/step Wall: 497.211, 0.00312675/step, 4.20427 hours remaining, 235.066406 MB of memory in use. ENERGY: 159400 4021.5262 20418.5571 14419.8151 271.5087 -203225.0672 2819.3393 0.0000 0.0000 52101.9916 -109172.3292 299.4309 -161274.3208 -108813.2308 298.7190 128.6186 147.9452 763236.9836 -9.0381 -8.9479 PRESSURE: 159600 -178.204 -152.693 -82.9428 -152.692 -232.853 11.4309 -82.9426 11.4311 -77.217 GPRESSURE: 159600 -187.564 -160.76 -84.7554 -102.175 -122.27 -25.623 -116.049 70.1131 -107.311 PRESSAVG: 159600 32.8456 -36.7256 13.8631 -36.7255 20.9314 24.7954 13.8631 24.7954 7.89654 GPRESSAVG: 159600 32.1282 -37.0337 13.6341 -35.8335 22.2536 23.6342 13.6614 24.9437 7.80697 TIMING: 159600 CPU: 497.837, 0.0031309/step Wall: 497.837, 0.0031309/step, 4.20967 hours remaining, 235.066406 MB of memory in use. ENERGY: 159600 3971.0761 20637.1894 14484.4930 252.8059 -202899.0188 2647.7023 0.0000 0.0000 51762.1150 -109143.6371 297.4776 -160905.7522 -108779.4192 298.1456 -162.7579 -139.0484 765473.2341 20.5579 20.7296 PRESSURE: 159800 -114.403 -209.496 -54.8706 -209.495 -56.5294 -99.3149 -54.8707 -99.3154 378.397 GPRESSURE: 159800 -47.1632 -191.848 -22.1669 -65.5939 13.4541 -22.6599 -79.961 -131.782 310.712 PRESSAVG: 159800 -37.8903 -33.0716 -50.9579 -33.0716 -12.8076 1.55599 -50.9579 1.55596 -2.55733 GPRESSAVG: 159800 -37.0077 -31.4929 -49.1323 -34.3498 -13.4479 1.76158 -53.6867 1.72132 -2.59191 TIMING: 159800 CPU: 498.464, 0.00313475/step Wall: 498.464, 0.00313475/step, 4.21468 hours remaining, 235.066406 MB of memory in use. ENERGY: 159800 4046.0078 20600.6664 14500.2502 254.6155 -203168.5995 3118.0978 0.0000 0.0000 51766.5708 -108882.3909 297.5032 -160648.9617 -108527.9476 298.7082 69.1549 92.3341 764406.6200 -17.7517 -17.6825 PRESSURE: 160000 246.456 -3.92359 47.0139 -3.92275 17.3696 37.4283 47.0146 37.4277 -14.2801 GPRESSURE: 160000 230.415 -52.3261 111.058 107.647 83.9613 95.7888 48.7955 -45.6747 49.4794 PRESSAVG: 160000 22.971 -7.45762 -44.9145 -7.45766 26.6948 -63.5444 -44.9144 -63.5443 15.0273 GPRESSAVG: 160000 22.5646 -8.06263 -46.2086 -7.88565 26.4701 -62.5219 -43.2097 -63.7153 16.2063 TIMING: 160000 CPU: 499.088, 0.00311953/step Wall: 499.088, 0.00311953/step, 4.19404 hours remaining, 235.066406 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: 160000 4018.7492 20545.4396 14487.3846 238.3930 -203002.7254 3064.2539 0.0000 0.0000 51872.9633 -108775.5418 298.1146 -160648.5050 -108410.1588 299.1401 83.1818 121.2852 764418.2357 21.5644 21.7470 PRESSURE: 160200 203.174 99.0378 -181.319 99.0383 22.1112 115.023 -181.319 115.023 175.648 GPRESSURE: 160200 166.416 58.122 -39.2066 84.0733 176.952 146.978 -138.626 45.2058 147.901 PRESSAVG: 160200 31.1669 -7.05262 -57.2288 -7.05267 -1.0842 -0.789478 -57.2289 -0.789568 -20.4517 GPRESSAVG: 160200 30.9163 -8.14916 -55.8995 -7.37825 1.09705 -2.60618 -56.845 -2.541 -22.7047 TIMING: 160200 CPU: 499.713, 0.00312634/step Wall: 499.713, 0.00312634/step, 4.20301 hours remaining, 235.066406 MB of memory in use. ENERGY: 160200 3890.4908 20428.8645 14472.8187 252.6324 -202848.7666 2824.0290 0.0000 0.0000 51998.7364 -108981.1949 298.8375 -160979.9313 -108600.4179 298.7375 133.6441 163.7563 762568.0783 3.2103 3.1029 LDB: ============= START OF LOAD BALANCING ============== 512.192 LDB: ============== END OF LOAD BALANCING =============== 512.192 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 512.194 LDB: ============= START OF LOAD BALANCING ============== 512.507 LDB: Largest compute 7006 load 0.031199 is 16.0% of average load 0.194675 LDB: Average compute 0.004389 is 2.3% of average load 0.194675 LDB: TIME 512.511 LOAD: AVG 0.194675 MAX 0.216329 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.285 MB LDB: TIME 512.511 LOAD: AVG 0.194675 MAX 0.216329 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.395 MB LDB: TIME 512.512 LOAD: AVG 0.194675 MAX 0.216329 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.395 MB LDB: ============== END OF LOAD BALANCING =============== 512.514 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 512.518 PRESSURE: 160400 -339.72 -93.5246 91.8605 -93.5241 -3.73725 25.3611 91.8602 25.3612 140.293 GPRESSURE: 160400 -197.576 -231.264 146.431 -86.0981 29.8598 -1.14779 74.8563 91.9198 46.6435 PRESSAVG: 160400 2.43463 18.6164 -12.7552 18.6165 16.6726 5.29194 -12.7552 5.29195 -5.6856 GPRESSAVG: 160400 1.77221 18.3336 -14.4765 19.6207 15.5982 6.46491 -12.8377 7.73483 -4.03721 TIMING: 160400 CPU: 500.352, 0.00319802/step Wall: 500.352, 0.00319802/step, 4.2992 hours remaining, 234.898438 MB of memory in use. ENERGY: 160400 3925.0483 20598.8288 14490.8882 237.9645 -203101.7456 2994.4303 0.0000 0.0000 51967.1303 -108887.4553 298.6558 -160854.5855 -108531.4127 299.0631 -67.7214 -40.3574 762677.4368 4.4739 4.4444 PRESSURE: 160600 61.4141 -59.5629 198.908 -59.5632 265.077 150.808 198.908 150.808 79.1049 GPRESSURE: 160600 121.642 -202.447 183.603 -55.8439 242.054 241.397 -27.5622 71.465 107.143 PRESSAVG: 160600 -35.9778 -76.0143 -32.69 -76.0143 39.0985 42.5399 -32.69 42.5398 26.9591 GPRESSAVG: 160600 -35.344 -77.7477 -32.7776 -76.9791 37.8811 41.3079 -34.3215 41.3894 27.4887 TIMING: 160600 CPU: 500.979, 0.00313512/step Wall: 500.979, 0.00313512/step, 4.21448 hours remaining, 235.238281 MB of memory in use. ENERGY: 160600 3973.3392 20487.3252 14418.4566 247.3962 -202967.7648 2949.7321 0.0000 0.0000 52206.5100 -108685.0055 300.0315 -160891.5155 -108318.7006 299.2061 135.1986 156.9465 763420.3908 10.0266 10.0086 PRESSURE: 160800 -49.5957 -198.536 9.4224 -198.535 -57.7378 -181.63 9.42225 -181.631 -29.454 GPRESSURE: 160800 27.1312 -117.538 -9.06404 -192.891 -1.31376 -268.696 20.4784 -141.63 -72.9331 PRESSAVG: 160800 -14.8977 -44.8839 -4.08586 -44.884 35.7988 -28.6089 -4.08583 -28.6089 -5.83636 GPRESSAVG: 160800 -13.4343 -41.8201 -3.67085 -44.2217 35.6813 -29.9264 -3.21235 -28.9462 -7.39928 TIMING: 160800 CPU: 501.604, 0.00312494/step Wall: 501.604, 0.00312494/step, 4.20061 hours remaining, 235.238281 MB of memory in use. ENERGY: 160800 4028.2501 20545.4340 14487.4484 243.9703 -202515.5049 2604.4094 0.0000 0.0000 51681.5902 -108924.4024 297.0148 -160605.9926 -108568.5284 299.0896 -45.5959 -15.7052 763533.6456 5.0216 4.9492 PRESSURE: 161000 -177.325 -91.8116 34.5667 -91.8122 10.8704 -101.73 34.5677 -101.729 -23.1269 GPRESSURE: 161000 -63.198 -130.624 69.5035 -178.037 17.1207 -151.353 -127.5 -125.187 -52.6389 PRESSAVG: 161000 68.8201 -48.8331 -5.36018 -48.8331 -32.8127 -51.914 -5.3601 -51.9139 21.5923 GPRESSAVG: 161000 67.0339 -49.6918 -4.56862 -48.7358 -31.7824 -50.2126 -5.44628 -51.652 22.2231 TIMING: 161000 CPU: 502.231, 0.00313039/step Wall: 502.231, 0.00313039/step, 4.20776 hours remaining, 235.238281 MB of memory in use. ENERGY: 161000 4008.1227 20354.9738 14477.1564 251.5612 -202742.9312 2726.2769 0.0000 0.0000 52154.9320 -108769.9082 299.7351 -160924.8402 -108404.4287 298.9809 -63.1939 -32.9054 762961.8507 19.1999 19.1582 PRESSURE: 161200 -261.495 32.4736 -32.8459 32.4736 349.839 277.433 -32.8465 277.433 -164.591 GPRESSURE: 161200 -126.379 53.3252 -39.1084 37.5476 252.881 199.161 -163.975 110.332 -124.621 PRESSAVG: 161200 27.8997 -43.4118 2.15886 -43.4118 10.0205 -26.9405 2.1589 -26.9404 8.85687 GPRESSAVG: 161200 28.2021 -43.9043 1.26569 -44.5483 9.84969 -28.298 2.53706 -27.4273 8.84899 TIMING: 161200 CPU: 502.859, 0.00314425/step Wall: 502.859, 0.00314425/step, 4.22622 hours remaining, 235.238281 MB of memory in use. ENERGY: 161200 3914.2781 20471.4506 14421.5000 240.0415 -202468.6482 2629.1280 0.0000 0.0000 51931.0582 -108861.1919 298.4485 -160792.2501 -108492.5240 298.8951 -25.4157 0.6270 763212.0169 15.5924 15.6336 PRESSURE: 161400 -155.823 -326.736 142.858 -326.736 -63.883 -102.35 142.858 -102.349 51.0381 GPRESSURE: 161400 -170.051 -272.821 100.95 -119.314 -25.1221 -82.6425 141.896 -58.4071 131.904 PRESSAVG: 161400 -14.912 -45.7604 -23.3005 -45.7604 44.2316 6.26393 -23.3005 6.26383 -4.03097 GPRESSAVG: 161400 -15.4376 -45.4571 -23.2374 -44.1018 44.213 7.33789 -21.9887 5.96253 -3.82174 TIMING: 161400 CPU: 503.489, 0.00314784/step Wall: 503.489, 0.00314784/step, 4.23087 hours remaining, 235.238281 MB of memory in use. ENERGY: 161400 3968.6685 20641.2186 14393.1423 253.4671 -202550.6150 2517.6914 0.0000 0.0000 51792.7149 -108983.7123 297.6534 -160776.4271 -108626.2688 298.3659 -56.2225 -21.0898 764369.6406 8.4296 8.3179 PRESSURE: 161600 458.269 52.5914 85.1648 52.5916 174.125 56.6818 85.1643 56.6821 -291.596 GPRESSURE: 161600 468.331 -30.3647 32.4194 -52.91 185.618 -55.8414 -20.6375 173.95 -259.739 PRESSAVG: 161600 1.78174 -25.7776 -30.7849 -25.7776 11.0021 -10.4834 -30.7848 -10.4834 -7.2148 GPRESSAVG: 161600 2.17094 -25.1965 -29.8192 -28.2611 11.2004 -11.7198 -29.3595 -8.34898 -7.77049 TIMING: 161600 CPU: 504.113, 0.00312222/step Wall: 504.113, 0.00312222/step, 4.19627 hours remaining, 235.238281 MB of memory in use. ENERGY: 161600 3868.6142 20626.0211 14478.1503 254.0207 -203316.9647 3249.9010 0.0000 0.0000 51808.3454 -109031.9120 297.7433 -160840.2574 -108684.1644 298.5563 113.5994 131.4035 764030.2487 1.8564 1.8670 PRESSURE: 161800 -338.904 153.145 161.752 153.145 -3.81366 125.4 161.753 125.399 -247.931 GPRESSURE: 161800 -255.486 164.231 273.8 138.846 44.5126 99.2609 103.386 186.932 -290.009 PRESSAVG: 161800 -32.8776 33.8854 6.45735 33.8855 35.2716 -19.3405 6.45728 -19.3405 7.33405 GPRESSAVG: 161800 -32.3334 32.7024 6.34231 35.6232 34.6868 -17.4403 4.50969 -20.5835 7.7318 TIMING: 161800 CPU: 504.738, 0.00312437/step Wall: 504.738, 0.00312437/step, 4.19897 hours remaining, 235.238281 MB of memory in use. ENERGY: 161800 3993.9108 20579.1736 14429.1793 255.0148 -203368.6166 3037.5759 0.0000 0.0000 52137.5424 -108936.2199 299.6352 -161073.7623 -108567.0038 299.0922 -196.8828 -166.9944 764326.9811 3.2427 3.3617 PRESSURE: 162000 -498.057 167.321 11.2541 167.322 -82.4287 -71.1938 11.2538 -71.1924 -507.247 GPRESSURE: 162000 -502.363 270.787 23.2147 42.9416 -67.2159 -78.4412 -75.3059 -76.7257 -420.399 PRESSAVG: 162000 -35.4985 42.4375 -36.2896 42.4375 25.8276 -62.3137 -36.2896 -62.3137 -33.0502 GPRESSAVG: 162000 -36.858 42.8021 -37.1572 41.7841 26.0253 -63.7023 -36.0812 -61.8854 -33.0161 TIMING: 162000 CPU: 505.364, 0.00312863/step Wall: 505.364, 0.00312863/step, 4.20453 hours remaining, 235.238281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 162000 3984.5952 20584.6729 14456.0877 237.9064 -202813.8066 2726.3120 0.0000 0.0000 51905.0599 -108919.1723 298.2991 -160824.2323 -108562.7495 299.0484 -362.5777 -329.9925 765749.0901 -14.2403 -14.6163 PRESSURE: 162200 36.9722 29.6314 260.966 29.6316 69.2861 -225.824 260.965 -225.824 356.119 GPRESSURE: 162200 166.063 77.3521 228.755 -34.8053 36.7955 -288.128 103.216 -163.433 356.916 PRESSAVG: 162200 -13.1629 16.8617 29.8185 16.8618 -26.6379 9.79779 29.8185 9.79768 -19.6451 GPRESSAVG: 162200 -13.0794 18.2154 29.9092 15.6172 -27.8055 9.72743 30.6335 7.41862 -18.4587 TIMING: 162200 CPU: 505.988, 0.00312048/step Wall: 505.988, 0.00312048/step, 4.19341 hours remaining, 235.238281 MB of memory in use. ENERGY: 162200 3929.1485 20469.6527 14426.8859 250.5816 -203010.9313 2989.7719 0.0000 0.0000 52057.8061 -108887.0848 299.1769 -160944.8908 -108516.3865 298.9486 154.1258 186.5915 763217.4035 -19.8153 -19.7812 PRESSURE: 162400 -374.423 -106.491 -61.4726 -106.491 -228.747 108.113 -61.473 108.113 22.8439 GPRESSURE: 162400 -368.924 25.4479 -24.5738 -129.858 -250.241 132.865 -45.3696 5.08662 129.023 PRESSAVG: 162400 -16.5263 13.4072 -6.09149 13.4072 -37.5875 -57.6896 -6.09152 -57.6897 -3.2967 GPRESSAVG: 162400 -15.0901 15.6424 -6.09027 12.9767 -37.9842 -57.4614 -7.86405 -56.0217 -4.5371 TIMING: 162400 CPU: 506.617, 0.00314692/step Wall: 506.617, 0.00314692/step, 4.22876 hours remaining, 235.238281 MB of memory in use. ENERGY: 162400 3990.6594 20489.5539 14508.9512 247.6838 -202702.9097 2646.8557 0.0000 0.0000 51858.8765 -108960.3292 298.0337 -160819.2057 -108609.9837 299.0610 -193.4419 -163.3807 764394.1546 -19.1368 -19.2038 PRESSURE: 162600 28.9777 99.6537 153.451 99.6536 96.416 -36.9036 153.451 -36.9045 -225.966 GPRESSURE: 162600 68.001 8.39551 182.439 24.0973 154.577 -87.7042 149.389 -87.4755 -232.274 PRESSAVG: 162600 -8.25658 -31.4784 30.4603 -31.4784 -4.38446 -23.0375 30.4603 -23.0376 30.2173 GPRESSAVG: 162600 -8.3457 -34.7169 31.9631 -30.7027 -4.53636 -22.6512 31.5291 -23.1624 30.2025 TIMING: 162600 CPU: 507.247, 0.00314912/step Wall: 507.247, 0.00314912/step, 4.23155 hours remaining, 235.238281 MB of memory in use. ENERGY: 162600 4041.2947 20443.0489 14452.3393 249.4288 -203158.0019 2953.6286 0.0000 0.0000 51794.2031 -109224.0585 297.6620 -161018.2616 -108867.3451 298.3795 -33.5242 -3.2318 764102.0436 5.8587 5.7735 PRESSURE: 162800 -235.794 75.4987 276.917 75.4981 72.2684 -143.424 276.918 -143.424 -188.273 GPRESSURE: 162800 -163.397 -55.258 242.251 48.777 140.771 -118.397 275.686 -89.4038 -245.561 PRESSAVG: 162800 1.78757 3.88234 38.9828 3.8823 27.7282 16.5857 38.9828 16.5858 -9.06848 GPRESSAVG: 162800 1.46258 5.27248 38.321 2.87368 28.4037 15.8132 39.2695 14.9011 -9.56062 TIMING: 162800 CPU: 507.871, 0.00311593/step Wall: 507.871, 0.00311593/step, 4.18677 hours remaining, 235.238281 MB of memory in use. ENERGY: 162800 4066.8075 20466.2151 14460.7241 242.1865 -203610.1123 3354.3460 0.0000 0.0000 51832.0170 -109187.8160 297.8793 -161019.8330 -108832.2364 297.8540 -117.2662 -89.3956 764658.9635 6.8158 6.7685 PRESSURE: 163000 -412.558 -147.719 -17.5606 -147.718 -107.843 -217.879 -17.5612 -217.88 208.227 GPRESSURE: 163000 -336.452 -85.9859 75.0053 -174.894 -0.506121 -152.806 -27.5299 -141.968 101.733 PRESSAVG: 163000 -4.99636 10.1878 -19.1931 10.1877 -9.43559 -48.5031 -19.193 -48.5031 8.15824 GPRESSAVG: 163000 -5.81757 8.08354 -18.7474 11.3139 -8.14811 -48.0606 -19.2213 -47.3146 7.78177 TIMING: 163000 CPU: 508.499, 0.00314062/step Wall: 508.499, 0.00314062/step, 4.21977 hours remaining, 235.238281 MB of memory in use. ENERGY: 163000 3944.2324 20396.4838 14452.9236 247.7303 -202800.4411 2597.7428 0.0000 0.0000 51984.5096 -109176.8186 298.7557 -161161.3282 -108800.2446 298.0677 -104.0578 -78.4082 764069.2330 -2.0912 -2.0613 PRESSURE: 163200 -1.32444 -252.045 -127.665 -252.045 -128.782 -102.533 -127.665 -102.533 366.135 GPRESSURE: 163200 -33.1364 -179.251 -127.514 -246.047 -122.965 -32.99 -124.638 -45.5416 467.199 PRESSAVG: 163200 -3.54404 -21.0145 -5.50481 -21.0145 26.2126 -61.5631 -5.50486 -61.563 -17.9751 GPRESSAVG: 163200 -3.95502 -19.7261 -5.55618 -21.4573 24.6512 -62.4469 -5.68337 -59.6954 -15.9578 TIMING: 163200 CPU: 509.123, 0.00312153/step Wall: 509.123, 0.00312153/step, 4.19395 hours remaining, 235.238281 MB of memory in use. ENERGY: 163200 3952.4988 20533.5673 14433.5559 256.6985 -203425.4700 2997.9175 0.0000 0.0000 52257.3162 -108993.9159 300.3235 -161251.2321 -108636.6961 298.3790 78.6763 103.6993 764280.0109 1.5645 1.5795 PRESSURE: 163400 -255.194 -111.553 151.344 -111.553 -516.989 -201.967 151.342 -201.966 -106.384 GPRESSURE: 163400 -303.148 -102.864 137.934 18.5217 -393.87 -150.695 145.959 -156.19 -107.69 PRESSAVG: 163400 -57.0603 -31.0696 27.8522 -31.0696 40.2605 -13.2357 27.8522 -13.2357 11.3514 GPRESSAVG: 163400 -55.8427 -31.8094 26.9841 -29.523 41.239 -12.6371 27.928 -14.6189 9.19099 TIMING: 163400 CPU: 509.749, 0.0031318/step Wall: 509.749, 0.0031318/step, 4.20757 hours remaining, 235.238281 MB of memory in use. ENERGY: 163400 4037.7354 20457.5921 14448.4265 239.5261 -202571.8053 2520.5868 0.0000 0.0000 51819.3417 -109048.5967 297.8065 -160867.9385 -108683.1004 298.4206 -292.8557 -268.2358 764274.7986 -1.8162 -1.8042 PRESSURE: 163600 497.545 -155.344 198.124 -155.342 8.39406 -25.5284 198.124 -25.5293 150.773 GPRESSURE: 163600 408.943 -176.379 112.026 -139.42 23.9657 -25.9592 189.776 -72.5101 299.179 PRESSAVG: 163600 12.4732 -40.725 16.1007 -40.7251 -44.4285 -36.4208 16.1006 -36.4208 6.02069 GPRESSAVG: 163600 10.9771 -40.2507 16.0537 -39.4394 -45.9773 -36.5173 17.5144 -36.2303 9.33846 TIMING: 163600 CPU: 510.375, 0.00312698/step Wall: 510.375, 0.00312698/step, 4.20092 hours remaining, 235.238281 MB of memory in use. ENERGY: 163600 3908.7514 20512.6629 14461.9814 228.1077 -203060.9352 2899.5402 0.0000 0.0000 52036.5075 -109013.3842 299.0545 -161049.8917 -108656.3370 298.1849 218.9041 244.0292 763420.7257 -8.6449 -8.5539 PRESSURE: 163800 -329.877 -180.471 117.678 -180.471 -272.121 -133.36 117.677 -133.361 169.405 GPRESSURE: 163800 -276.353 -178.974 24.1324 -194.402 -210.955 -47.2391 160.501 -217.466 127.851 PRESSAVG: 163800 18.3788 -14.8879 -44.1162 -14.8879 -43.8203 -61.5745 -44.1162 -61.5744 3.72208 GPRESSAVG: 163800 19.4342 -15.7753 -44.1543 -16.9335 -43.5844 -61.7128 -46.2543 -62.4425 2.83061 TIMING: 163800 CPU: 510.999, 0.00312185/step Wall: 510.999, 0.00312185/step, 4.19386 hours remaining, 235.238281 MB of memory in use. ENERGY: 163800 3972.0875 20580.4107 14376.8146 243.2851 -202821.2510 2594.4631 0.0000 0.0000 52081.1283 -108973.0618 299.3110 -161054.1901 -108605.5086 298.9638 -144.1976 -119.8189 765451.3317 -7.2398 -7.1065 PRESSURE: 164000 440.946 63.2121 71.8695 63.2122 65.9593 -311.231 71.8702 -311.231 87.1578 GPRESSURE: 164000 337.595 49.5318 177.971 40.0298 127.759 -346.449 -8.89063 -231.144 223.189 PRESSAVG: 164000 38.9596 -27.3019 50.9488 -27.3019 -4.68069 -23.753 50.9488 -23.7529 1.1368 GPRESSAVG: 164000 38.8094 -28.3455 51.849 -26.038 -3.23291 -24.0707 50.6011 -23.1103 -0.555503 TIMING: 164000 CPU: 511.623, 0.00311944/step Wall: 511.623, 0.00311944/step, 4.19044 hours remaining, 235.238281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 164000 3945.8813 20481.9231 14341.9747 252.6257 -202994.6824 3014.7257 0.0000 0.0000 52036.9031 -108920.6488 299.0568 -160957.5520 -108558.3775 298.8427 198.0211 229.5144 764708.6643 11.8053 11.6737 PRESSURE: 164200 -31.3711 -78.4785 -165.984 -78.4789 -56.7317 13.5283 -165.984 13.529 87.5867 GPRESSURE: 164200 -32.12 9.59935 -106.943 -37.1278 -17.3869 -58.5356 20.0011 -70.2284 122.561 PRESSAVG: 164200 -10.5908 -28.2218 29.1296 -28.2218 22.8189 17.5829 29.1296 17.5829 -17.5252 GPRESSAVG: 164200 -9.01617 -28.014 29.2082 -28.1359 20.5129 16.6191 30.1302 16.1222 -16.8678 TIMING: 164200 CPU: 512.246, 0.00311719/step Wall: 512.246, 0.00311719/step, 4.18725 hours remaining, 235.238281 MB of memory in use. ENERGY: 164200 3946.7802 20461.5016 14360.3814 252.6561 -202603.0958 2764.1578 0.0000 0.0000 51949.0263 -108868.5924 298.5518 -160817.6186 -108500.3223 298.8439 -0.1720 24.3513 765418.9172 -1.7657 -1.7904 LDB: ============= START OF LOAD BALANCING ============== 524.724 LDB: ============== END OF LOAD BALANCING =============== 524.724 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 524.726 LDB: ============= START OF LOAD BALANCING ============== 525.039 LDB: Largest compute 7006 load 0.030991 is 15.9% of average load 0.194531 LDB: Average compute 0.004386 is 2.3% of average load 0.194531 LDB: TIME 525.042 LOAD: AVG 0.194531 MAX 0.214684 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.32 MB LDB: TIME 525.043 LOAD: AVG 0.194531 MAX 0.214684 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.32 MB LDB: TIME 525.043 LOAD: AVG 0.194531 MAX 0.214684 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.32 MB LDB: ============== END OF LOAD BALANCING =============== 525.045 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 525.05 PRESSURE: 164400 -186.448 62.4748 66.4788 62.4744 -104.539 102.922 66.4777 102.921 -166.542 GPRESSURE: 164400 -146.995 -4.6411 240.564 8.08812 -86.6226 133.054 40.7481 176.897 -137.923 PRESSAVG: 164400 19.4008 -58.1852 65.8111 -58.1852 -54.9435 -1.29171 65.8112 -1.29166 26.0044 GPRESSAVG: 164400 19.4875 -57.2478 65.6839 -57.0847 -54.1157 -1.14407 65.6488 2.13203 24.7603 TIMING: 164400 CPU: 512.884, 0.00318863/step Wall: 512.884, 0.00318863/step, 4.28304 hours remaining, 233.117188 MB of memory in use. ENERGY: 164400 4025.8009 20544.1141 14391.8096 246.5269 -202587.4495 2537.3217 0.0000 0.0000 52008.2918 -108833.5844 298.8924 -160841.8763 -108473.2179 299.2575 -152.5095 -123.8469 762963.5840 -3.1794 -3.2893 PRESSURE: 164600 110.523 8.48543 126.276 8.48462 21.5545 46.6262 126.277 46.6261 311.67 GPRESSURE: 164600 78.0167 2.35785 125.971 1.30702 102.552 154.244 203.121 61.4956 334.076 PRESSAVG: 164600 46.1812 5.80945 -18.3495 5.80941 23.2847 34.3329 -18.3495 34.333 -24.5771 GPRESSAVG: 164600 44.8285 5.13414 -18.2295 2.10681 23.5348 35.6555 -19.0571 31.2984 -23.2437 TIMING: 164600 CPU: 513.504, 0.00310108/step Wall: 513.504, 0.00310108/step, 4.16527 hours remaining, 233.652344 MB of memory in use. ENERGY: 164600 3995.6078 20398.6074 14474.9537 244.6811 -203207.9821 2987.9454 0.0000 0.0000 52011.2835 -109094.9032 298.9096 -161106.1868 -108726.2633 299.1640 147.9159 171.5483 762857.7270 14.9630 15.0399 PRESSURE: 164800 58.6881 -186.172 -304.691 -186.172 -265.715 -198.847 -304.69 -198.846 -4.921 GPRESSURE: 164800 50.3316 -129.817 -244.771 -17.4199 -138.84 -211.751 -266.148 -82.9497 -52.2515 PRESSAVG: 164800 10.8799 -6.56816 42.6014 -6.56817 5.24149 -27.6918 42.6014 -27.6919 14.6135 GPRESSAVG: 164800 11.3821 -6.92654 42.3804 -3.02539 5.3559 -27.3452 45.0108 -27.1962 13.9359 TIMING: 164800 CPU: 514.124, 0.00309909/step Wall: 514.124, 0.00309909/step, 4.16243 hours remaining, 233.652344 MB of memory in use. ENERGY: 164800 4003.4365 20520.4736 14427.1428 232.9203 -203186.2702 2805.1110 0.0000 0.0000 52132.1874 -109064.9988 299.6044 -161197.1861 -108697.5534 298.7999 -70.6493 -46.9199 762032.4394 10.2449 10.2246 PRESSURE: 165000 -195.516 81.5784 -46.9364 81.5779 392.469 41.4824 -46.9362 41.4825 577.782 GPRESSURE: 165000 -82.0333 18.9482 2.47343 125.937 321.735 70.5971 -10.4524 41.5052 613.216 PRESSAVG: 165000 21.1979 -48.6138 34.7511 -48.6138 -22.0653 -60.8192 34.751 -60.8191 19.3554 GPRESSAVG: 165000 20.7706 -46.7809 35.8976 -50.7107 -21.8142 -62.9457 34.6768 -59.9127 19.3328 TIMING: 165000 CPU: 514.75, 0.00312837/step Wall: 514.75, 0.00312837/step, 4.20157 hours remaining, 233.652344 MB of memory in use. ENERGY: 165000 4001.0301 20433.7251 14370.0847 240.9943 -203261.1347 3001.6398 0.0000 0.0000 52191.3113 -109022.3494 299.9442 -161213.6607 -108661.1001 298.7716 258.2451 284.3061 761858.9143 6.1626 6.0964 PRESSURE: 165200 -167.156 153.763 -65.7687 153.763 129.77 12.1861 -65.7675 12.1863 203.287 GPRESSURE: 165200 -79.946 242.927 -27.518 122.454 130.856 -49.0084 -42.6283 46.5712 195.652 PRESSAVG: 165200 46.093 -45.4655 16.6991 -45.4656 -37.7099 4.45904 16.6991 4.45905 21.2152 GPRESSAVG: 165200 46.4947 -47.2985 15.5285 -44.2407 -38.0973 5.06675 16.7869 4.00906 20.757 TIMING: 165200 CPU: 515.375, 0.00312348/step Wall: 515.375, 0.00312348/step, 4.19483 hours remaining, 233.652344 MB of memory in use. ENERGY: 165200 3917.9228 20476.2316 14499.3955 230.1343 -202598.8998 2806.3803 0.0000 0.0000 51855.2085 -108813.6268 298.0126 -160668.8353 -108455.5020 299.0639 55.3004 82.1876 763122.7667 9.8661 9.7181 PRESSURE: 165400 -265.744 -136.861 175.942 -136.86 -325.078 161.996 175.943 161.996 -268.852 GPRESSURE: 165400 -172.492 -138.734 98.3308 -180.692 -365.84 128.967 30.1914 208.524 -242.755 PRESSAVG: 165400 38.3728 -10.3907 -47.8379 -10.3907 -28.5404 -38.2713 -47.8379 -38.2713 0.842038 GPRESSAVG: 165400 37.3199 -8.51376 -47.4619 -10.6676 -28.7032 -36.8231 -48.0714 -40.2859 1.92445 TIMING: 165400 CPU: 516, 0.00312713/step Wall: 516, 0.00312713/step, 4.19956 hours remaining, 233.652344 MB of memory in use. ENERGY: 165400 3955.0998 20480.1668 14403.8768 253.2329 -203114.3475 2807.3970 0.0000 0.0000 52385.3104 -108829.2638 301.0591 -161214.5742 -108449.6507 299.5862 -286.5580 -260.3623 764266.0580 3.5581 3.5137 PRESSURE: 165600 169.389 -88.5877 78.007 -88.5872 -257.404 -141.774 78.0062 -141.774 -286.187 GPRESSURE: 165600 150.373 -91.3892 87.2719 -78.446 -173.398 -71.5289 37.2264 -175.495 -286.626 PRESSAVG: 165600 68.106 -70.9461 -17.6298 -70.9461 -61.709 12.0448 -17.6298 12.0448 -3.02185 GPRESSAVG: 165600 67.4716 -72.8416 -17.823 -71.4055 -61.1494 10.6013 -17.1994 14.0756 -3.29298 TIMING: 165600 CPU: 516.626, 0.00312789/step Wall: 516.626, 0.00312789/step, 4.20041 hours remaining, 233.652344 MB of memory in use. ENERGY: 165600 3927.2285 20534.4202 14385.7858 260.8165 -202492.8157 2420.8909 0.0000 0.0000 52190.7394 -108772.9343 299.9409 -160963.6738 -108399.6630 299.2278 -124.7342 -103.2173 764175.8022 1.1251 1.0098 PRESSURE: 165800 185.468 22.4678 -15.3728 22.4683 372.236 38.1107 -15.3726 38.1101 233.308 GPRESSURE: 165800 292.534 65.4928 -99.0277 -15.5128 337.118 4.29351 111.018 153.969 236.788 PRESSAVG: 165800 -34.7755 -80.8957 -50.876 -80.8957 -31.5382 -20.4717 -50.876 -20.4718 1.82417 GPRESSAVG: 165800 -34.1996 -80.9236 -50.4341 -81.0629 -32.6 -20.156 -53.038 -18.9027 2.76335 TIMING: 165800 CPU: 517.252, 0.00313052/step Wall: 517.252, 0.00313052/step, 4.20377 hours remaining, 233.652344 MB of memory in use. ENERGY: 165800 3999.8669 20461.5623 14462.1057 249.4966 -202974.1306 2959.4003 0.0000 0.0000 52103.0072 -108738.6917 299.4367 -160841.6989 -108372.8743 299.4282 263.6706 288.8134 763246.2166 -21.4965 -21.3454 PRESSURE: 166000 -71.304 -153.42 -422.052 -153.421 -196.328 124.361 -422.052 124.361 -652.194 GPRESSURE: 166000 23.5337 -126.522 -361.666 -97.8538 -161.075 110.279 -399.587 125.187 -697.196 PRESSAVG: 166000 40.2733 -17.6847 19.7465 -17.6846 -41.4213 67.3526 19.7465 67.3526 3.98926 GPRESSAVG: 166000 39.2643 -17.3684 18.9155 -16.5486 -39.1855 68.3994 22.4543 64.2627 3.15688 TIMING: 166000 CPU: 517.876, 0.00312121/step Wall: 517.876, 0.00312121/step, 4.19109 hours remaining, 233.652344 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: 166000 3934.8582 20511.5370 14511.9455 236.0741 -202984.7200 2829.1353 0.0000 0.0000 52249.8095 -108711.3604 300.2804 -160961.1699 -108336.6017 299.8466 -306.6089 -278.2458 764727.0996 0.9471 1.0786 PRESSURE: 166200 100.179 15.9167 -103.232 15.9167 -157.105 -176.673 -103.232 -176.673 -82.8893 GPRESSURE: 166200 130.283 -89.4467 -95.8935 12.9697 -116.87 -287.211 31.5317 -242.594 -52.1792 PRESSAVG: 166200 29.4117 -15.3558 -15.0629 -15.3558 -17.4215 -11.9009 -15.0629 -11.9009 0.152525 GPRESSAVG: 166200 30.0314 -15.115 -14.8143 -16.4232 -18.0907 -12.23 -14.202 -10.6641 -0.186388 TIMING: 166200 CPU: 518.505, 0.00314621/step Wall: 518.505, 0.00314621/step, 4.22449 hours remaining, 233.652344 MB of memory in use. ENERGY: 166200 4025.8805 20481.6757 14366.5284 229.5744 -202864.4130 2796.9441 0.0000 0.0000 52380.2613 -108583.5486 301.0301 -160963.8099 -108223.8926 299.6229 -46.6050 -12.9222 763353.9971 4.0476 3.9181 PRESSURE: 166400 -220.129 -71.9426 -82.6792 -71.9417 -396.494 -111.276 -82.6783 -111.275 -141.613 GPRESSURE: 166400 -161.073 29.0784 -74.7755 -36.1015 -249.442 -152.963 -128.666 -24.3752 -235.368 PRESSAVG: 166400 64.6545 -34.5345 66.5548 -34.5345 -49.0337 -41.1416 66.5548 -41.1417 -15.4674 GPRESSAVG: 166400 63.8618 -34.4056 66.6444 -33.0813 -49.8496 -41.2888 65.2497 -41.145 -13.9574 TIMING: 166400 CPU: 519.133, 0.00313864/step Wall: 519.133, 0.00313864/step, 4.21414 hours remaining, 233.652344 MB of memory in use. ENERGY: 166400 4001.5841 20507.1795 14471.5305 236.8969 -202398.2797 2414.4816 0.0000 0.0000 52120.0288 -108646.5782 299.5345 -160766.6070 -108290.8748 299.7402 -252.7450 -215.2944 764487.2609 0.0511 0.0183 PRESSURE: 166600 87.9478 -22.3741 262.331 -22.3734 -189.773 -237.28 262.33 -237.278 406.316 GPRESSURE: 166600 80.0725 153.174 269.557 -26.1919 -155.887 -220.977 222.652 -212.636 481.025 PRESSAVG: 166600 34.4315 -20.2259 45.6342 -20.2259 -24.6203 -38.7933 45.6343 -38.7934 -6.67149 GPRESSAVG: 166600 34.7384 -20.9658 44.7318 -18.5526 -24.6998 -39.0371 46.1372 -38.9753 -6.73918 TIMING: 166600 CPU: 519.765, 0.00315834/step Wall: 519.765, 0.00315834/step, 4.24043 hours remaining, 233.652344 MB of memory in use. ENERGY: 166600 4066.0924 20457.2575 14503.5337 253.1942 -203238.0943 2923.5222 0.0000 0.0000 52293.0730 -108741.4213 300.5290 -161034.4943 -108375.9188 299.5211 101.4968 135.0702 761589.0314 1.0466 1.0998 PRESSURE: 166800 -78.8852 -185.628 176.483 -185.628 -248.393 -51.7387 176.483 -51.7384 -82.1132 GPRESSURE: 166800 5.20387 -117.617 205.159 -161.989 -206.542 -120.646 136.555 -136.909 -138.66 PRESSAVG: 166800 44.5503 -29.702 29.2407 -29.702 -72.0551 -41.4195 29.2408 -41.4196 7.51621 GPRESSAVG: 166800 45.7572 -28.3306 30.1643 -31.1253 -71.8875 -43.907 28.6769 -39.7898 5.92 TIMING: 166800 CPU: 520.393, 0.00314434/step Wall: 520.393, 0.00314434/step, 4.22145 hours remaining, 233.652344 MB of memory in use. ENERGY: 166800 4032.3379 20475.8522 14501.4104 262.0699 -202896.8339 2861.9974 0.0000 0.0000 52128.7699 -108634.3962 299.5848 -160763.1661 -108261.2626 299.3898 -136.4639 -113.3329 764210.0456 -6.6628 -6.7368 PRESSURE: 167000 147.086 41.1556 1.03839 41.1552 -79.4409 307.163 1.0393 307.163 -115.971 GPRESSURE: 167000 157.666 -90.0203 -46.9011 97.0109 0.504215 200.417 74.5401 301.048 -114.147 PRESSAVG: 167000 105.57 -42.4212 38.2672 -42.4212 -58.5124 22.0778 38.2672 22.0778 -4.36985 GPRESSAVG: 167000 104.277 -45.8568 38.4685 -40.8621 -57.8983 23.6775 37.1769 19.8121 -3.66234 TIMING: 167000 CPU: 521.019, 0.0031306/step Wall: 521.019, 0.0031306/step, 4.20283 hours remaining, 233.652344 MB of memory in use. ENERGY: 167000 3973.3501 20486.7215 14438.6848 254.4353 -202967.3516 2729.6641 0.0000 0.0000 52378.2790 -108706.2169 301.0187 -161084.4959 -108326.7228 299.7208 -16.1086 14.6742 765059.4830 14.2291 14.2387 PRESSURE: 167200 182.331 -145.192 57.0884 -145.192 304.607 15.1627 57.0883 15.1625 240.618 GPRESSURE: 167200 248.475 -68.9206 -19.4234 -99.2323 265.088 -70.0749 103.481 41.6761 301.009 PRESSAVG: 167200 -13.3277 -36.7678 -10.6977 -36.7678 21.8281 -15.3413 -10.6976 -15.3414 13.3453 GPRESSAVG: 167200 -12.8902 -32.5202 -12.1569 -37.8825 21.558 -16.5691 -10.2404 -15.1478 13.0969 TIMING: 167200 CPU: 521.647, 0.00313589/step Wall: 521.647, 0.00313589/step, 4.20975 hours remaining, 233.652344 MB of memory in use. ENERGY: 167200 4032.7850 20460.9724 14436.1727 268.2434 -203399.1619 3197.7505 0.0000 0.0000 52509.1619 -108494.0759 301.7709 -161003.2378 -108123.7620 300.1240 242.5189 271.5241 763058.9338 7.2819 7.2549 PRESSURE: 167400 21.9179 -36.0588 109.553 -36.0598 -245.618 -39.1923 109.552 -39.1921 94.3513 GPRESSURE: 167400 60.9073 -81.9645 183.745 -44.303 -146.272 -10.1086 280.152 55.8092 56.4888 PRESSAVG: 167400 68.8037 -36.5523 44.2478 -36.5523 -12.5757 -6.1712 44.2478 -6.17125 -3.79702 GPRESSAVG: 167400 69.419 -37.9453 46.2903 -38.547 -13.2451 -5.17142 44.7078 -5.56162 -3.17936 TIMING: 167400 CPU: 522.28, 0.00316782/step Wall: 522.28, 0.00316782/step, 4.25245 hours remaining, 233.652344 MB of memory in use. ENERGY: 167400 3962.0621 20440.7364 14537.3649 246.7570 -203026.3768 2959.0921 0.0000 0.0000 52242.9633 -108637.4010 300.2410 -160880.3643 -108268.6994 300.3780 -43.1164 -9.6251 763663.0412 17.4770 17.6648 PRESSURE: 167600 -262.332 -96.4972 -87.7253 -96.4975 -53.1755 -84.8267 -87.7257 -84.8267 -267.909 GPRESSURE: 167600 -144.979 -60.0227 -58.0379 -65.6806 -124.79 -131.983 -130.158 -112.726 -227.806 PRESSAVG: 167600 30.0137 -34.2458 10.0553 -34.2458 -53.9752 -48.0587 10.0553 -48.0587 17.4924 GPRESSAVG: 167600 29.2434 -33.0092 8.94813 -34.643 -52.969 -47.7732 10.9922 -47.1713 16.9024 TIMING: 167600 CPU: 522.912, 0.00315654/step Wall: 522.912, 0.00315654/step, 4.23713 hours remaining, 233.652344 MB of memory in use. ENERGY: 167600 4058.9401 20527.9512 14419.2593 243.7960 -202534.5070 2613.9755 0.0000 0.0000 52072.0834 -108598.5015 299.2590 -160670.5849 -108238.6513 299.3985 -194.4723 -165.8582 766006.7546 -2.1564 -2.2744 PRESSURE: 167800 -180.126 -152.181 85.0972 -152.181 274 -11.7375 85.097 -11.7371 686.374 GPRESSURE: 167800 -77.7943 22.1652 138.821 17.5006 294.205 25.3534 165.707 23.3658 641.245 PRESSAVG: 167800 -8.51767 -48.7406 5.90412 -48.7405 -2.68006 -14.3372 5.90419 -14.3372 12.1714 GPRESSAVG: 167800 -8.35884 -51.488 5.49126 -45.9979 -3.3184 -14.8613 4.68256 -15.4125 12.7057 TIMING: 167800 CPU: 523.54, 0.00314267/step Wall: 523.54, 0.00314267/step, 4.21833 hours remaining, 233.652344 MB of memory in use. ENERGY: 167800 4007.8913 20406.5037 14431.1304 250.3129 -202923.5464 2967.2828 0.0000 0.0000 52163.6897 -108696.7356 299.7854 -160860.4253 -108339.9476 299.2987 260.0827 285.8851 764024.3948 0.3246 0.3428 PRESSURE: 168000 -176.749 -105.87 -342.149 -105.869 -74.6764 29.3963 -342.149 29.396 -114.321 GPRESSURE: 168000 -91.2802 -286.281 -353.247 -112.83 -3.8385 67.742 -450.948 -102.053 -174.623 PRESSAVG: 168000 -19.8663 -79.4974 6.90725 -79.4974 19.9339 69.3312 6.90722 69.3311 15.3542 GPRESSAVG: 168000 -20.2718 -79.297 7.54894 -79.2252 20.8522 68.7112 4.88144 70.3174 14.6148 TIMING: 168000 CPU: 524.172, 0.00315921/step Wall: 524.172, 0.00315921/step, 4.24036 hours remaining, 233.652344 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: 168000 3925.7616 20494.8019 14494.3041 245.4425 -202371.4183 2490.9930 0.0000 0.0000 52172.3861 -108547.7291 299.8354 -160720.1153 -108184.8984 299.6175 -121.9153 -89.9138 763940.5188 5.1406 5.0651 PRESSURE: 168200 166.606 75.8155 -13.6061 75.8155 85.2472 382.999 -13.606 383 2.16423 GPRESSURE: 168200 117.222 -34.2389 82.2965 -19.9243 233.693 384.753 -78.3725 184.007 -4.40502 PRESSAVG: 168200 -12.1529 -49.3869 27.3403 -49.3869 22.2861 -20.2914 27.3403 -20.2914 3.4876 GPRESSAVG: 168200 -11.8411 -48.8939 26.8141 -52.6612 21.3055 -21.5639 30.7321 -22.6354 3.95693 TIMING: 168200 CPU: 524.796, 0.00312186/step Wall: 524.796, 0.00312186/step, 4.19005 hours remaining, 233.652344 MB of memory in use. ENERGY: 168200 4059.9218 20566.6164 14490.4641 223.2554 -202976.5022 2889.4534 0.0000 0.0000 52152.0542 -108594.7370 299.7186 -160746.7912 -108237.6352 300.0632 84.6723 115.5033 763744.0179 4.5403 4.4738 LDB: ============= START OF LOAD BALANCING ============== 537.278 LDB: ============== END OF LOAD BALANCING =============== 537.278 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 537.28 LDB: ============= START OF LOAD BALANCING ============== 537.593 LDB: Largest compute 7052 load 0.029868 is 15.4% of average load 0.194497 LDB: Average compute 0.004385 is 2.3% of average load 0.194497 LDB: TIME 537.596 LOAD: AVG 0.194497 MAX 0.21477 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.32 MB LDB: TIME 537.597 LOAD: AVG 0.194497 MAX 0.21477 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.523 MB LDB: TIME 537.597 LOAD: AVG 0.194497 MAX 0.21477 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.523 MB LDB: ============== END OF LOAD BALANCING =============== 537.599 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 537.604 PRESSURE: 168400 -239.584 -182.524 -29.7778 -182.524 -428.229 25.3642 -29.7771 25.3648 -147.261 GPRESSURE: 168400 -218.24 -101.553 5.96321 -187.471 -373.297 31.226 128.682 70.9894 -146.496 PRESSAVG: 168400 -5.36508 2.56542 31.0996 2.56539 -36.9309 3.15982 31.0996 3.15989 18.4513 GPRESSAVG: 168400 -5.31483 3.4651 34.8886 3.44521 -36.4304 4.5268 28.7121 3.77937 18.2367 TIMING: 168400 CPU: 525.438, 0.00320735/step Wall: 525.438, 0.00320735/step, 4.30462 hours remaining, 232.843750 MB of memory in use. ENERGY: 168400 3998.4767 20357.5524 14448.6986 243.1911 -202581.7661 2703.5373 0.0000 0.0000 52088.6887 -108741.6213 299.3544 -160830.3100 -108382.9040 299.6225 -271.6914 -246.0109 764725.8449 -7.9482 -7.8362 PRESSURE: 168600 222.902 -38.9007 -292.499 -38.9002 -37.1217 -36.7802 -292.5 -36.7808 -120.92 GPRESSURE: 168600 272.553 43.513 -219.88 26.6806 -4.28606 -0.805818 -418.564 -24.7595 -144.683 PRESSAVG: 168600 3.65368 -99.0257 -12.105 -99.0257 25.8966 2.06662 -12.105 2.06655 31.552 GPRESSAVG: 168600 3.60778 -99.75 -15.3221 -98.2998 25.4594 2.43294 -12.0042 3.09871 31.8455 TIMING: 168600 CPU: 526.063, 0.00312758/step Wall: 526.063, 0.00312758/step, 4.19738 hours remaining, 232.843750 MB of memory in use. ENERGY: 168600 3940.7958 20423.1914 14477.8589 248.1089 -203026.9423 3105.2073 0.0000 0.0000 52239.0664 -108592.7137 300.2186 -160831.7801 -108216.8175 299.3471 21.6202 41.1946 764201.2911 20.3674 20.3042 PRESSURE: 168800 -124.247 -259.791 -182.878 -259.79 131.333 192.606 -182.878 192.606 72.4768 GPRESSURE: 168800 -45.6023 -163.963 -210.513 -159.771 206.947 230.905 -220.969 177.171 -9.88857 PRESSAVG: 168800 -22.0524 -19.6021 -33.6136 -19.6022 -8.44896 36.5702 -33.6136 36.5702 -18.0701 GPRESSAVG: 168800 -21.676 -19.637 -32.0547 -19.9288 -8.28175 36.6622 -32.9075 37.0685 -19.15 TIMING: 168800 CPU: 526.684, 0.00310381/step Wall: 526.684, 0.00310381/step, 4.16532 hours remaining, 232.843750 MB of memory in use. ENERGY: 168800 3960.1434 20481.9278 14442.9967 260.8081 -202725.6101 2781.4037 0.0000 0.0000 51940.0595 -108858.2709 298.5002 -160798.3304 -108502.7593 299.4004 26.5212 50.4853 765078.0131 -16.1905 -16.3692 PRESSURE: 169000 -257.162 -143.441 -409.802 -143.44 42.699 242.667 -409.803 242.667 -153.855 GPRESSURE: 169000 -187.128 -76.2341 -450.588 -107.947 -9.44649 165.692 -231.732 182.83 -89.6269 PRESSAVG: 169000 -2.72036 -34.7113 16.7411 -34.7113 25.2498 38.6838 16.7411 38.6838 -16.6812 GPRESSAVG: 169000 -3.76512 -32.8577 14.1551 -34.6111 25.0266 38.7977 15.2139 37.0309 -15.1772 TIMING: 169000 CPU: 527.308, 0.00312008/step Wall: 527.308, 0.00312008/step, 4.18697 hours remaining, 232.843750 MB of memory in use. ENERGY: 169000 3960.9679 20576.2586 14452.5541 246.7852 -202740.6706 2835.8652 0.0000 0.0000 51731.6215 -108936.6180 297.3023 -160668.2395 -108586.2634 298.7491 -122.7724 -95.4005 764894.1708 1.9494 2.0281 PRESSURE: 169200 -382.187 -12.5503 -33.1893 -12.5503 -398.739 -257.354 -33.1898 -257.355 37.5009 GPRESSURE: 169200 -313.762 69.9869 15.2256 62.8382 -313.658 -225.092 -14.7366 -78.0234 -44.0897 PRESSAVG: 169200 39.8396 -42.8639 19.984 -42.8639 -9.05488 13.8588 19.9839 13.8588 2.16423 GPRESSAVG: 169200 40.4693 -43.46 21.2704 -41.0106 -9.12679 12.7295 22.0365 16.1623 1.32525 TIMING: 169200 CPU: 527.937, 0.00314633/step Wall: 527.937, 0.00314633/step, 4.22202 hours remaining, 232.843750 MB of memory in use. ENERGY: 169200 3946.5433 20505.3814 14425.8133 238.9370 -202715.4221 2677.3096 0.0000 0.0000 51753.1224 -109168.3151 297.4259 -160921.4375 -108802.5997 298.4640 -247.8084 -223.8368 764844.7014 10.9830 10.8893 PRESSURE: 169400 -119.732 -32.7521 -9.43538 -32.7525 63.4182 122.759 -9.43529 122.759 89.109 GPRESSURE: 169400 -107.324 -1.4813 9.48744 -53.2235 97.5426 108.317 -106.048 151.652 130.186 PRESSAVG: 169400 19.9703 -18.5795 0.280951 -18.5795 -3.01392 10.8083 0.280957 10.8083 -0.335553 GPRESSAVG: 169400 19.7477 -20.3407 1.55053 -18.5462 -3.12351 12.917 0.823069 9.65532 -0.164606 TIMING: 169400 CPU: 528.564, 0.00313453/step Wall: 528.564, 0.00313453/step, 4.20602 hours remaining, 232.843750 MB of memory in use. ENERGY: 169400 3962.9536 20343.2772 14435.8594 237.5702 -203240.5454 3061.2157 0.0000 0.0000 52170.8859 -109028.7833 299.8268 -161199.6692 -108669.0119 298.6244 10.9318 40.1349 762589.5195 5.5403 5.4865 PRESSURE: 169600 -71.3736 23.3271 -54.9942 23.3268 -173.051 -122.189 -54.9938 -122.188 -393.353 GPRESSURE: 169600 -121.494 32.9228 27.9344 85.8999 -103.889 -133.019 -166.622 16.3978 -322.009 PRESSAVG: 169600 -49.3534 -32.7266 33.4004 -32.7266 69.3248 -3.59801 33.4004 -3.59805 -41.1007 GPRESSAVG: 169600 -48.8767 -31.7549 31.7481 -31.354 69.0826 -5.61584 32.1761 -2.07979 -41.1995 TIMING: 169600 CPU: 529.197, 0.00316182/step Wall: 529.197, 0.00316181/step, 4.24245 hours remaining, 232.843750 MB of memory in use. ENERGY: 169600 3979.8255 20420.4805 14493.9759 260.4929 -202993.7464 2898.6473 0.0000 0.0000 52144.6863 -108795.6380 299.6762 -160940.3243 -108440.4132 299.0910 -212.5924 -182.4640 763263.2447 -7.0431 -6.9978 PRESSURE: 169800 -108.406 123.297 -196.806 123.296 103.696 80.3122 -196.807 80.3129 -264.849 GPRESSURE: 169800 -265.292 42.6234 -195.686 122.299 210.641 85.6786 -112.85 88.1728 -140.168 PRESSAVG: 169800 -0.346004 8.80154 0.0253201 8.8015 22.4621 -21.9956 0.0252552 -21.9956 11.7508 GPRESSAVG: 169800 -2.10992 7.31861 -0.0439585 6.10647 22.8646 -21.2023 1.5997 -22.8249 12.7876 TIMING: 169800 CPU: 529.825, 0.00313959/step Wall: 529.825, 0.00313959/step, 4.21245 hours remaining, 232.843750 MB of memory in use. ENERGY: 169800 4040.5912 20602.7119 14425.3242 282.3319 -203156.1120 3102.4831 0.0000 0.0000 51946.6270 -108756.0426 298.5380 -160702.6697 -108405.1383 299.1265 -89.8530 -64.9394 764944.6454 11.2890 11.1808 PRESSURE: 170000 113.213 -79.5548 74.2439 -79.5553 -91.783 130.414 74.245 130.413 22.6597 GPRESSURE: 170000 113.45 -25.0275 46.201 -100.853 -32.0796 147.96 9.01212 148.701 60.134 PRESSAVG: 170000 29.8331 11.2425 7.90801 11.2425 -2.26326 6.48441 7.90799 6.48438 -23.7075 GPRESSAVG: 170000 30.9406 13.5923 9.32181 9.73327 -2.70756 5.98164 7.92995 5.06516 -24.4789 TIMING: 170000 CPU: 530.454, 0.00314947/step Wall: 530.454, 0.00314947/step, 4.22554 hours remaining, 232.843750 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: 170000 4026.0589 20532.5550 14478.3785 244.7249 -203183.2498 2994.2146 0.0000 0.0000 52033.8121 -108873.5058 299.0390 -160907.3179 -108516.2579 299.3031 14.6966 47.1681 766433.7397 1.2874 1.2514 PRESSURE: 170200 211.2 -96.5494 -342.12 -96.5493 117.797 -52.4945 -342.122 -52.4955 155.233 GPRESSURE: 170200 183.328 18.1652 -322.346 -49.3573 227.453 4.45425 -141.942 -106.646 147.208 PRESSAVG: 170200 -29.4076 -2.46361 -36.8431 -2.46364 -45.4101 -46.8567 -36.8431 -46.8566 -5.96525 GPRESSAVG: 170200 -29.5252 -4.76199 -37.9821 -0.361207 -45.2254 -45.3104 -39.1004 -46.2655 -6.19655 TIMING: 170200 CPU: 531.082, 0.00314018/step Wall: 531.082, 0.00314018/step, 4.2129 hours remaining, 232.843750 MB of memory in use. ENERGY: 170200 4011.6093 20436.6521 14458.0072 242.9067 -203023.5594 2919.8830 0.0000 0.0000 52056.2031 -108898.2980 299.1677 -160954.5011 -108524.9487 298.6108 161.4102 185.9964 765266.8224 -26.9276 -26.9824 PRESSURE: 170400 -190.996 14.5316 -37.3501 14.5309 -517.723 -224.077 -37.3501 -224.076 -334.278 GPRESSURE: 170400 -111.759 105.797 -23.9656 28.0762 -454.537 -281.983 29.4965 -199.544 -428.095 PRESSAVG: 170400 -32.7103 -14.6789 -21.6011 -14.6788 19.1239 -40.5105 -21.6011 -40.5105 -8.60033 GPRESSAVG: 170400 -32.1212 -11.8625 -21.358 -15.707 18.0876 -41.7039 -19.9732 -41.0711 -8.53267 TIMING: 170400 CPU: 531.713, 0.00315188/step Wall: 531.713, 0.00315188/step, 4.22842 hours remaining, 232.843750 MB of memory in use. ENERGY: 170400 4024.6859 20502.4663 14530.3422 277.0726 -202581.0319 2648.8569 0.0000 0.0000 51718.8744 -108878.7336 297.2291 -160597.6080 -108520.7332 298.6402 -347.6657 -331.4640 766544.6688 -7.3956 -7.5221 PRESSURE: 170600 -45.1384 -64.7716 -102.215 -64.7714 6.71024 -178.527 -102.216 -178.528 246.233 GPRESSURE: 170600 40.8695 -110.151 -58.1195 -130.962 -40.957 -240.435 -122.72 -97.2587 302.913 PRESSAVG: 170600 28.3687 -5.51693 -68.4801 -5.51697 -28.2914 -77.1118 -68.4802 -77.1118 8.77805 GPRESSAVG: 170600 28.4257 -5.35677 -68.886 -4.76521 -27.6472 -76.5541 -68.1807 -76.753 8.58677 TIMING: 170600 CPU: 532.345, 0.0031592/step Wall: 532.345, 0.0031592/step, 4.23807 hours remaining, 232.843750 MB of memory in use. ENERGY: 170600 3982.0444 20526.0445 14498.0109 238.7727 -203287.7807 3133.3542 0.0000 0.0000 51991.8462 -108917.7077 298.7979 -160909.5540 -108556.1000 299.2025 69.2682 100.9419 765401.9360 2.9518 3.1218 PRESSURE: 170800 249.039 151.03 -308.277 151.03 421.478 161.592 -308.277 161.593 21.8995 GPRESSURE: 170800 285.142 19.6426 -281.522 63.1241 466.996 88.6695 -198.042 109.17 52.3916 PRESSAVG: 170800 9.35257 12.1882 -33.7111 12.1883 23.177 11.8382 -33.7111 11.8382 -21.7351 GPRESSAVG: 170800 8.64427 9.95354 -34.2124 11.6563 22.86 10.8485 -34.8133 11.7869 -20.5829 TIMING: 170800 CPU: 532.97, 0.00312742/step Wall: 532.97, 0.00312742/step, 4.19526 hours remaining, 232.843750 MB of memory in use. ENERGY: 170800 3914.4821 20456.9298 14442.6066 223.8621 -203127.3031 3080.2376 0.0000 0.0000 52110.1110 -108899.0740 299.4775 -161009.1850 -108536.9427 299.1245 230.8056 268.1767 763795.5092 3.5982 3.6404 PRESSURE: 171000 225.805 -142.551 -23.9452 -142.55 34.4997 -34.9351 -23.9453 -34.9367 -157.255 GPRESSURE: 171000 300.199 -138.295 -83.3826 -148.856 37.862 -99.7742 -46.6464 10.9138 -133.47 PRESSAVG: 171000 1.20534 16.3311 69.6691 16.3311 41.2476 -62.8984 69.669 -62.8984 -4.74645 GPRESSAVG: 171000 0.673001 16.4025 70.0062 17.231 41.6437 -63.0823 69.2761 -63.3358 -4.87257 TIMING: 171000 CPU: 533.6, 0.00315107/step Wall: 533.6, 0.00315107/step, 4.22681 hours remaining, 232.843750 MB of memory in use. ENERGY: 171000 4039.9606 20547.6302 14492.2387 241.8550 -203319.6169 3017.0050 0.0000 0.0000 51921.1700 -109059.7575 298.3917 -160980.9275 -108697.2035 299.0632 34.3499 68.1970 762182.9507 12.5688 12.4814 PRESSURE: 171200 141.07 81.1925 -95.2765 81.1914 -54.8215 -227.004 -95.2772 -227.004 -200.602 GPRESSURE: 171200 209.351 54.9708 -59.2899 122.779 -82.8193 -154.882 -202.227 -321.486 -152.869 PRESSAVG: 171200 52.5909 -0.659622 20.6189 -0.659634 -54.0112 0.268131 20.619 0.267994 -18.6704 GPRESSAVG: 171200 53.1825 1.28146 20.2538 -1.59675 -54.2873 2.66576 21.3318 -1.68051 -18.5712 TIMING: 171200 CPU: 534.228, 0.00313617/step Wall: 534.228, 0.00313617/step, 4.20665 hours remaining, 232.843750 MB of memory in use. ENERGY: 171200 4040.0537 20484.8246 14509.3774 255.0547 -203215.1019 3010.2423 0.0000 0.0000 51779.6608 -109135.8885 297.5784 -160915.5493 -108770.8012 298.5544 -38.1181 -8.7792 763215.4499 -6.6969 -6.5587 PRESSURE: 171400 145.726 239.916 -10.0986 239.917 347.659 -201.346 -10.0974 -201.346 218.426 GPRESSURE: 171400 163.852 169.449 -49.2649 270.11 414.322 -122.394 -103.51 31.1319 206.837 PRESSAVG: 171400 56.3006 69.5164 -16.798 69.5165 -17.9874 -39.3041 -16.798 -39.3041 3.25467 GPRESSAVG: 171400 56.1101 66.6311 -16.6558 70.4799 -16.7411 -39.3182 -15.6937 -37.6123 1.69698 TIMING: 171400 CPU: 534.85, 0.00310978/step Wall: 534.85, 0.00310978/step, 4.17108 hours remaining, 232.843750 MB of memory in use. ENERGY: 171400 3973.4365 20351.7738 14526.5197 256.1902 -202852.9292 3001.5252 0.0000 0.0000 52044.3658 -108699.1180 299.0997 -160743.4838 -108336.5598 298.3457 237.2704 261.6704 763738.2019 13.8559 13.6886 PRESSURE: 171600 254.701 38.0438 304.188 38.0436 293.511 -246.752 304.188 -246.75 -240.628 GPRESSURE: 171600 327.612 -32.6923 306.24 -73.7209 222.841 -125.651 151.617 -246.914 -149.235 PRESSAVG: 171600 -20.3029 -0.958325 26.0303 -0.958334 26.8861 -49.0907 26.0303 -49.0907 -30.9482 GPRESSAVG: 171600 -19.4483 1.69929 25.278 -3.8081 25.8931 -49.1396 25.5554 -47.6924 -30.6074 TIMING: 171600 CPU: 535.478, 0.00313992/step Wall: 535.478, 0.00313992/step, 4.21133 hours remaining, 232.843750 MB of memory in use. ENERGY: 171600 3988.0047 20534.3100 14513.8080 246.7849 -203151.3658 3085.7563 0.0000 0.0000 52133.3294 -108649.3726 299.6110 -160782.7020 -108286.8383 299.5975 102.5281 133.7395 763251.9789 -8.1216 -8.0542 PRESSURE: 171800 -37.9595 -19.9147 -132.78 -19.9144 -2.88616 -81.909 -132.781 -81.9091 18.6199 GPRESSURE: 171800 30.7209 11.6853 -36.9607 -111.976 6.69087 -115.581 -85.8026 -132.318 25.6946 PRESSAVG: 171800 -3.07346 35.365 32.3681 35.365 -6.11046 -12.7784 32.368 -12.7784 7.1496 GPRESSAVG: 171800 -3.72103 36.2525 36.5185 35.0916 -5.35434 -13.3987 32.2893 -16.7577 7.31928 TIMING: 171800 CPU: 536.104, 0.00313471/step Wall: 536.104, 0.00313471/step, 4.20417 hours remaining, 232.843750 MB of memory in use. ENERGY: 171800 3963.7065 20483.3900 14578.5451 262.7739 -202485.0763 2529.8183 0.0000 0.0000 52041.8589 -108624.9835 299.0853 -160666.8424 -108259.2674 299.6509 -7.4086 21.0355 763377.0881 -0.6781 -0.5854 PRESSURE: 172000 -265.227 -81.0406 -184.05 -81.0412 57.5024 156.948 -184.051 156.948 -404.774 GPRESSURE: 172000 -238.28 -111.17 -203.29 34.8471 19.7188 175.122 -83.9514 280.017 -308.874 PRESSAVG: 172000 15.4762 25.1147 41.9359 25.1147 -0.0497322 -11.7895 41.9359 -11.7895 8.60802 GPRESSAVG: 172000 16.5035 22.7723 39.1477 27.8406 -1.43469 -12.418 42.3515 -8.52171 8.73247 TIMING: 172000 CPU: 536.731, 0.00313455/step Wall: 536.731, 0.00313456/step, 4.20379 hours remaining, 232.843750 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: 172000 3997.8207 20493.2284 14568.1462 229.5131 -202562.0591 2594.9494 0.0000 0.0000 52137.5923 -108540.8090 299.6355 -160678.4013 -108175.7792 299.5884 -204.1664 -175.8119 764839.9759 8.0115 7.9338 PRESSURE: 172200 -52.3847 -107.197 9.53037 -107.197 128.964 50.8916 9.53025 50.8917 143.2 GPRESSURE: 172200 -45.2434 -138.943 -12.892 -48.6304 122.837 61.8158 16.7214 23.9939 198.347 PRESSAVG: 172200 0.740474 -45.4054 22.8812 -45.4054 -33.7703 25.5122 22.8811 25.5122 13.6992 GPRESSAVG: 172200 0.222101 -44.9835 23.7944 -45.444 -33.0916 25.8342 24.4578 23.6085 13.3889 TIMING: 172200 CPU: 537.362, 0.00315177/step Wall: 537.362, 0.00315177/step, 4.2267 hours remaining, 232.843750 MB of memory in use. ENERGY: 172200 4062.3534 20677.5028 14498.2271 247.7637 -202901.5993 2767.1692 0.0000 0.0000 52004.9930 -108643.5901 298.8734 -160648.5831 -108294.9267 299.4442 73.2596 91.9802 762922.3864 -6.4435 -6.4936 LDB: ============= START OF LOAD BALANCING ============== 549.842 LDB: ============== END OF LOAD BALANCING =============== 549.843 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 549.845 LDB: ============= START OF LOAD BALANCING ============== 550.163 LDB: Largest compute 7015 load 0.029570 is 15.2% of average load 0.194607 LDB: Average compute 0.004388 is 2.3% of average load 0.194607 LDB: TIME 550.167 LOAD: AVG 0.194607 MAX 0.215875 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.383 MB LDB: TIME 550.167 LOAD: AVG 0.194607 MAX 0.215875 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.438 MB LDB: TIME 550.167 LOAD: AVG 0.194607 MAX 0.215875 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.438 MB LDB: ============== END OF LOAD BALANCING =============== 550.169 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 550.174 PRESSURE: 172400 -320.141 103.5 353.028 103.5 529.5 9.84717 353.028 9.84758 180.752 GPRESSURE: 172400 -255.819 64.8151 305.697 185.665 520.585 22.2745 280.378 1.2259 209.024 PRESSAVG: 172400 3.15556 -0.667028 -29.1448 -0.667072 31.9605 -53.5181 -29.1447 -53.518 3.60803 GPRESSAVG: 172400 3.46558 -0.514766 -30.62 -1.06419 31.0784 -54.5433 -30.1042 -51.8093 3.63314 TIMING: 172400 CPU: 538.008, 0.00323098/step Wall: 538.008, 0.00323098/step, 4.33274 hours remaining, 234.113281 MB of memory in use. ENERGY: 172400 4038.8695 20469.8602 14562.9937 223.0272 -203084.8910 2800.8097 0.0000 0.0000 52207.1123 -108782.2184 300.0350 -160989.3307 -108416.2709 299.8013 130.0371 157.9301 761832.1728 12.9080 12.7257 PRESSURE: 172600 107.955 -41.4127 -107.529 -41.4126 122.839 -15.5952 -107.529 -15.5946 9.47238 GPRESSURE: 172600 189.638 -28.666 -30.0748 -13.6908 89.6928 23.6228 -8.94606 -48.2724 49.2899 PRESSAVG: 172600 -3.79504 -19.9963 -8.98355 -19.9963 -22.0719 -49.6666 -8.98353 -49.6665 -5.61867 GPRESSAVG: 172600 -3.11405 -20.6689 -7.43747 -20.1596 -22.7447 -49.0679 -8.67954 -50.4721 -5.47375 TIMING: 172600 CPU: 538.637, 0.00314708/step Wall: 538.637, 0.00314708/step, 4.22006 hours remaining, 234.316406 MB of memory in use. ENERGY: 172600 4004.8444 20364.9322 14512.9036 232.7478 -203259.6163 2857.2962 0.0000 0.0000 52143.5577 -109143.3346 299.6697 -161286.8923 -108781.5448 298.9675 80.0890 109.5404 761420.6440 -10.4952 -10.4442 PRESSURE: 172800 51.397 -114.519 31.1113 -114.519 -111.761 63.8502 31.1114 63.8487 235.285 GPRESSURE: 172800 67.1645 -225.829 70.4951 -60.4236 -9.422 -14.8106 5.10286 25.8724 180.771 PRESSAVG: 172800 -17.7654 -40.1485 9.7304 -40.1485 17.1093 11.5394 9.73041 11.5394 13.6277 GPRESSAVG: 172800 -19.2167 -40.0859 9.55916 -38.7615 18.7721 11.5635 9.37473 12.7704 13.0833 TIMING: 172800 CPU: 539.268, 0.00315473/step Wall: 539.268, 0.00315473/step, 4.23014 hours remaining, 234.316406 MB of memory in use. ENERGY: 172800 3939.5465 20550.0752 14537.4009 244.2758 -202740.7788 2548.1256 0.0000 0.0000 51850.9340 -109070.4208 297.9880 -160921.3547 -108706.8430 298.3460 58.3069 79.5044 765305.0351 4.3239 4.2129 PRESSURE: 173000 84.833 -41.0356 -29.5357 -41.0362 -132.167 -73.0324 -29.5365 -73.0323 -100.627 GPRESSURE: 173000 74.3214 90.3563 -70.4313 54.8732 -79.0773 -163.635 0.174548 54.9476 -74.9185 PRESSAVG: 173000 11.6887 23.028 24.3201 23.028 -2.61315 -61.8576 24.3202 -61.8576 -5.23004 GPRESSAVG: 173000 12.3491 24.6484 25.3165 22.6935 -3.11874 -61.9217 22.4806 -63.4676 -4.98358 TIMING: 173000 CPU: 539.896, 0.00313724/step Wall: 539.896, 0.00313724/step, 4.20651 hours remaining, 234.316406 MB of memory in use. ENERGY: 173000 4003.3539 20454.4548 14501.2149 248.6344 -202757.3532 2595.5158 0.0000 0.0000 51839.4732 -109114.7062 297.9222 -160954.1794 -108749.4389 298.3431 -49.3203 -26.5581 764072.8058 1.2818 1.4156 PRESSURE: 173200 22.7232 -213.926 83.0852 -213.926 284.419 162.053 83.0852 162.053 80.4309 GPRESSURE: 173200 16.1977 -225.289 151.948 -183.639 413.009 54.6326 45.1826 178.25 38.7296 PRESSAVG: 173200 50.9598 -34.5369 -3.42856 -34.5369 -55.3045 -35.1633 -3.42857 -35.1632 10.013 GPRESSAVG: 173200 51.5941 -34.0126 -4.51105 -36.6883 -54.8604 -36.6231 -3.00694 -33.2626 9.42525 TIMING: 173200 CPU: 540.528, 0.00316017/step Wall: 540.528, 0.00316017/step, 4.23708 hours remaining, 234.316406 MB of memory in use. ENERGY: 173200 3930.4910 20547.0564 14416.9279 243.3611 -203039.2035 2943.7803 0.0000 0.0000 52040.5879 -108916.9989 299.0780 -160957.5868 -108557.8584 298.6291 129.1909 155.9787 763176.5953 1.8894 2.0530 PRESSURE: 173400 -146.947 -19.952 -51.4929 -19.9514 288.461 52.8781 -51.4933 52.8769 180.682 GPRESSURE: 173400 -33.514 81.6785 -53.8894 110.092 243.766 10.4058 49.4655 4.07975 186.357 PRESSAVG: 173400 -13.9031 10.349 30.6538 10.3491 22.7155 14.6176 30.6538 14.6176 4.2089 GPRESSAVG: 173400 -13.358 10.1388 31.2495 11.6737 21.3669 14.9953 31.947 13.5504 4.88783 TIMING: 173400 CPU: 541.156, 0.00313965/step Wall: 541.156, 0.00313965/step, 4.2094 hours remaining, 234.316406 MB of memory in use. ENERGY: 173400 3978.6567 20404.8723 14434.9036 247.7526 -202827.1394 2759.5154 0.0000 0.0000 51986.5732 -109014.8655 298.7676 -161001.4387 -108655.6626 298.7112 107.3987 132.2029 763875.8336 4.3404 4.2989 PRESSURE: 173600 -80.765 76.5382 190.795 76.5386 -219.114 -175.112 190.795 -175.111 70.3905 GPRESSURE: 173600 -150.108 141.891 202.442 98.549 -77.3741 -204.481 212.136 -6.25937 90.9578 PRESSAVG: 173600 -6.94469 19.6056 43.4529 19.6057 46.4755 -50.9422 43.453 -50.9422 -9.31129 GPRESSAVG: 173600 -7.70439 19.0387 42.1118 19.6012 46.9974 -49.5348 42.6797 -52.1414 -8.80324 TIMING: 173600 CPU: 541.783, 0.00313661/step Wall: 541.783, 0.00313661/step, 4.20514 hours remaining, 234.316406 MB of memory in use. ENERGY: 173600 3946.4947 20465.1676 14446.6404 257.0617 -202664.5709 2659.1093 0.0000 0.0000 51888.9312 -109001.1662 298.2064 -160890.0974 -108633.7167 298.0817 -76.4961 -45.5081 765148.3666 10.0732 10.1633 PRESSURE: 173800 20.1419 0.110769 68.4108 0.111723 -215.218 159.803 68.4106 159.803 3.59896 GPRESSURE: 173800 56.3593 -152.234 26.8277 -43.5593 -194.02 154.105 51.3136 120.375 21.2398 PRESSAVG: 173800 5.91402 -38.689 36.7286 -38.689 -17.1551 -65.468 36.7286 -65.4679 -5.49997 GPRESSAVG: 173800 5.97486 -39.2305 36.5535 -39.9665 -17.0356 -64.5446 37.1987 -66.2056 -5.55421 TIMING: 173800 CPU: 542.406, 0.00311555/step Wall: 542.406, 0.00311555/step, 4.17675 hours remaining, 234.316406 MB of memory in use. ENERGY: 173800 3963.2964 20567.5667 14525.9696 240.5763 -203140.2848 2856.6491 0.0000 0.0000 51864.9666 -109121.2601 298.0687 -160986.2266 -108768.4662 298.4453 -63.8257 -38.8070 764359.5369 -5.5804 -5.5383 PRESSURE: 174000 -124.892 -120.638 111.346 -120.638 -197.317 -292.992 111.346 -292.993 54.0394 GPRESSURE: 174000 -163.251 -131.679 19.9275 -18.2622 -146.629 -224.398 43.4183 -359.91 102.471 PRESSAVG: 174000 -3.37369 -20.9439 34.0038 -20.9439 20.3686 -25.5218 34.0037 -25.5218 -10.2406 GPRESSAVG: 174000 -2.51224 -20.9913 34.5712 -17.9818 20.3937 -27.3979 33.4499 -24.4646 -11.1077 TIMING: 174000 CPU: 543.031, 0.00312312/step Wall: 543.031, 0.00312312/step, 4.18671 hours remaining, 234.316406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 174000 4010.0898 20530.8678 14488.5299 279.3162 -202794.0213 2673.3373 0.0000 0.0000 51943.0213 -108868.8590 298.5173 -160811.8803 -108515.7575 298.6787 -89.3900 -69.1363 764149.1118 2.2514 2.2579 PRESSURE: 174200 -381.19 53.7313 -99.0648 53.7307 -149.191 -81.3979 -99.0643 -81.3978 23.1484 GPRESSURE: 174200 -333.074 64.7023 -86.2377 -5.01938 -137.281 -204.663 -46.6943 -124.53 36.5941 PRESSAVG: 174200 -7.78057 -45.7282 -43.8181 -45.7284 31.3989 -43.5895 -43.8181 -43.5895 20.0484 GPRESSAVG: 174200 -8.29521 -43.2392 -44.9871 -47.4859 32.2087 -42.2047 -43.7368 -44.2123 19.8403 TIMING: 174200 CPU: 543.658, 0.0031348/step Wall: 543.658, 0.0031348/step, 4.2022 hours remaining, 234.316406 MB of memory in use. ENERGY: 174200 4099.9642 20623.4737 14546.8765 241.7857 -202830.7296 2541.8329 0.0000 0.0000 51976.6024 -108800.1944 298.7102 -160776.7968 -108452.0215 299.8280 -169.0777 -144.5869 763165.6256 14.5556 14.5846 PRESSURE: 174400 -118.833 -89.0629 189.405 -89.0632 73.542 -44.0657 189.405 -44.0672 -242.408 GPRESSURE: 174400 -132.109 -131.6 87.6958 -144.727 150.493 -65.3929 253.111 -63.8196 -224.497 PRESSAVG: 174400 -51.1482 -40.0429 -13.5598 -40.0429 11.0071 -30.9734 -13.5598 -30.9734 -3.42081 GPRESSAVG: 174400 -50.7895 -42.038 -12.3813 -39.6033 10.8781 -34.0362 -14.4964 -30.0258 -3.46112 TIMING: 174400 CPU: 544.281, 0.00311685/step Wall: 544.281, 0.00311685/step, 4.17797 hours remaining, 234.316406 MB of memory in use. ENERGY: 174400 3984.6778 20480.0912 14477.6457 249.1320 -202956.8668 2877.4320 0.0000 0.0000 52122.4359 -108765.4523 299.5484 -160887.8882 -108412.9460 299.2115 -95.8995 -68.7042 765004.3966 -14.5206 -14.4575 PRESSURE: 174600 175.748 -62.4435 -205.984 -62.4437 -52.697 -54.7776 -205.984 -54.7775 280.246 GPRESSURE: 174600 195.647 -53.8413 -134.326 -149.534 54.0191 -56.7819 -158.838 -39.225 222.984 PRESSAVG: 174600 17.3344 6.70348 -4.78593 6.70346 -0.512569 -53.7536 -4.78588 -53.7536 21.1016 GPRESSAVG: 174600 16.6884 7.64487 -4.06477 6.16976 0.606088 -51.1858 -3.68038 -56.7894 20.3463 TIMING: 174600 CPU: 544.906, 0.00312321/step Wall: 544.906, 0.00312321/step, 4.18631 hours remaining, 234.316406 MB of memory in use. ENERGY: 174600 4032.7671 20592.8742 14405.8360 236.5935 -203145.3398 2960.1729 0.0000 0.0000 52018.3337 -108898.7623 298.9501 -160917.0960 -108536.8220 299.7190 134.4324 157.5503 763673.4111 12.6411 12.5469 PRESSURE: 174800 90.6827 -92.2112 6.17876 -92.2109 -231.23 167.446 6.17876 167.445 194.082 GPRESSURE: 174800 67.38 -83.0728 59.652 -81.5334 -195.534 165.049 81.1276 205.579 250.479 PRESSAVG: 174800 -28.8837 -27.2855 13.3203 -27.2856 -8.84944 21.3035 13.3203 21.3036 -2.17035 GPRESSAVG: 174800 -29.3901 -28.9407 11.8141 -25.5293 -11.4925 22.3752 15.3651 20.984 0.609727 TIMING: 174800 CPU: 545.527, 0.00310597/step Wall: 545.527, 0.00310597/step, 4.16304 hours remaining, 234.316406 MB of memory in use. ENERGY: 174800 3951.3264 20460.9500 14541.6720 241.7274 -203066.0599 2707.4680 0.0000 0.0000 52232.0252 -108930.8908 300.1782 -161162.9161 -108570.2442 299.2865 17.8449 40.7751 761821.5681 -13.3011 -13.4243 PRESSURE: 175000 164.11 -158.996 12.5268 -158.996 5.38849 -57.9036 12.5268 -57.9045 115.038 GPRESSURE: 175000 250.8 -69.0926 7.25399 -110.895 42.7896 -132.458 -92.1705 -38.106 65.1663 PRESSAVG: 175000 29.9711 5.81334 8.82719 5.81332 -49.7621 10.6563 8.82718 10.6563 -8.0537 GPRESSAVG: 175000 31.059 7.65746 10.5061 2.10148 -48.7249 10.2862 7.0577 12.0977 -10.3863 TIMING: 175000 CPU: 546.152, 0.00312603/step Wall: 546.152, 0.00312603/step, 4.18975 hours remaining, 234.316406 MB of memory in use. ENERGY: 175000 3950.8026 20487.7348 14499.3012 253.3073 -202928.3826 2969.5112 0.0000 0.0000 51810.2161 -108957.5095 297.7540 -160767.7256 -108596.1570 298.4050 94.8455 119.5854 763287.9403 -9.2816 -9.3507 PRESSURE: 175200 137.602 239.287 91.2305 239.287 317.652 -17.9354 91.23 -17.9363 224.015 GPRESSURE: 175200 153.875 181.337 155.762 132.844 369.132 1.93126 -154.841 -63.0953 230.575 PRESSAVG: 175200 -2.47894 -7.63639 -7.571 -7.63635 -15.8284 -6.59318 -7.57098 -6.59315 -12.8323 GPRESSAVG: 175200 -2.07637 -9.03592 -7.05902 -4.67611 -17.5157 -8.59532 -8.78099 -5.31797 -11.4047 TIMING: 175200 CPU: 546.776, 0.003117/step Wall: 546.776, 0.003117/step, 4.17748 hours remaining, 234.316406 MB of memory in use. ENERGY: 175200 3933.6790 20461.4087 14505.0002 262.8060 -203045.3331 2923.8504 0.0000 0.0000 51947.5123 -109011.0766 298.5431 -160958.5889 -108656.8144 298.7115 226.4230 251.1943 761764.5153 -10.3799 -10.3323 PRESSURE: 175400 -65.2594 -109.336 22.878 -109.336 189.312 7.42242 22.8783 7.422 62.9075 GPRESSURE: 175400 -90.3999 -119.68 -38.0108 -68.9095 190.467 -29.2807 66.8252 -42.6948 149.817 PRESSAVG: 175400 -52.4417 -28.4312 -18.2823 -28.4311 48.6075 -61.0088 -18.2823 -61.0088 25.3989 GPRESSAVG: 175400 -53.6322 -28.0829 -20.9347 -29.8391 49.2631 -59.9835 -15.7925 -61.5977 25.8809 TIMING: 175400 CPU: 547.398, 0.00311191/step Wall: 547.398, 0.00311191/step, 4.17048 hours remaining, 234.316406 MB of memory in use. ENERGY: 175400 4085.5558 20390.2618 14534.3822 251.6529 -203278.0389 2892.3986 0.0000 0.0000 52173.4900 -108950.2975 299.8418 -161123.7875 -108587.4385 298.7664 62.3200 83.2946 761557.7300 7.1882 7.1706 PRESSURE: 175600 29.6274 153.944 -85.6463 153.944 246.585 -32.7861 -85.6464 -32.7851 269.79 GPRESSURE: 175600 108.104 169.16 -136.904 66.0777 234.654 0.444262 46.4962 -7.6873 289.045 PRESSAVG: 175600 -11.9197 9.6897 16.0585 9.68969 8.8577 -18.877 16.0585 -18.8769 29.6477 GPRESSAVG: 175600 -10.6562 11.4772 16.4233 8.97016 8.29328 -17.5814 16.1948 -17.3622 28.915 TIMING: 175600 CPU: 548.022, 0.00311989/step Wall: 548.022, 0.00311989/step, 4.181 hours remaining, 234.316406 MB of memory in use. ENERGY: 175600 3947.8167 20327.4843 14491.3205 236.2916 -203203.4613 2962.0605 0.0000 0.0000 51992.4640 -109246.0238 298.8014 -161238.4878 -108879.5526 298.6506 182.0010 210.6010 763905.1286 8.8619 8.8507 PRESSURE: 175800 78.4128 32.9854 -339.143 32.9852 332.782 115.745 -339.142 115.745 290.847 GPRESSURE: 175800 114.017 134.235 -312.668 -5.62091 314.067 54.4603 -343.41 246.202 360.25 PRESSAVG: 175800 -18.9636 31.9811 2.72908 31.9811 -8.97132 -39.1452 2.7291 -39.1452 6.72811 GPRESSAVG: 175800 -19.6116 31.9229 5.02792 33.4199 -8.00726 -40.6888 -0.303483 -38.1482 6.66452 TIMING: 175800 CPU: 548.643, 0.00310574/step Wall: 548.643, 0.00310574/step, 4.16187 hours remaining, 234.316406 MB of memory in use. ENERGY: 175800 3981.5368 20409.6250 14463.9715 246.8307 -203245.1677 2944.6840 0.0000 0.0000 51857.9972 -109340.5225 298.0286 -161198.5197 -108982.9956 298.4348 234.0139 262.7778 762295.1326 -7.0689 -6.9848 PRESSURE: 176000 118.668 -160.107 -61.2474 -160.108 -402.305 164.671 -61.2475 164.671 -146.016 GPRESSURE: 176000 134.339 -108.347 23.3158 -175.674 -290.427 166.855 14.3836 123.373 -194.247 PRESSAVG: 176000 -48.6546 -0.948306 -3.45373 -0.948232 8.94395 50.4696 -3.45367 50.4695 -11.8895 GPRESSAVG: 176000 -48.193 -2.7466 -4.89759 -0.26172 9.43579 51.9755 -2.4006 49.4228 -13.5822 TIMING: 176000 CPU: 549.265, 0.00311203/step Wall: 549.265, 0.00311203/step, 4.17012 hours remaining, 234.316406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 176000 3947.7521 20334.0683 14449.2780 237.2771 -203063.1626 2663.5046 0.0000 0.0000 51974.1758 -109457.1067 298.6963 -161431.2826 -109093.8624 297.5772 -143.2174 -116.7784 762299.1656 -17.2000 -17.4465 PRESSURE: 176200 89.5806 127.05 38.5013 127.051 -135.349 214.014 38.5011 214.014 234.666 GPRESSURE: 176200 84.5483 76.2399 122.906 85.5238 -67.1544 163.438 81.5067 265.937 248.847 PRESSAVG: 176200 10.0417 -1.04555 -27.4638 -1.04556 -29.4844 24.6365 -27.4638 24.6365 0.864472 GPRESSAVG: 176200 9.81616 -0.799015 -27.1491 -1.12363 -29.9958 23.589 -27.3592 24.2138 1.4782 TIMING: 176200 CPU: 549.89, 0.00312091/step Wall: 549.89, 0.00312091/step, 4.18185 hours remaining, 234.316406 MB of memory in use. ENERGY: 176200 3855.3393 20322.0008 14463.8685 248.2282 -203038.3350 2745.3181 0.0000 0.0000 51844.4293 -109559.1508 297.9506 -161403.5801 -109198.1888 297.7747 62.9660 88.7470 763258.1184 -6.1928 -6.2338 LDB: ============= START OF LOAD BALANCING ============== 562.368 LDB: ============== END OF LOAD BALANCING =============== 562.368 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 562.37 LDB: ============= START OF LOAD BALANCING ============== 562.683 LDB: Largest compute 6985 load 0.028983 is 14.9% of average load 0.194629 LDB: Average compute 0.004380 is 2.3% of average load 0.194629 LDB: TIME 562.687 LOAD: AVG 0.194629 MAX 0.216711 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.805 MB LDB: TIME 562.687 LOAD: AVG 0.194629 MAX 0.216711 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.914 MB LDB: TIME 562.687 LOAD: AVG 0.194629 MAX 0.216711 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.914 MB LDB: ============== END OF LOAD BALANCING =============== 562.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 562.694 PRESSURE: 176400 280.947 -131.878 -190.488 -131.878 263.474 -105.785 -190.488 -105.784 -346.289 GPRESSURE: 176400 298.224 -77.8805 -234.847 -246.726 224.19 -79.0053 -178.876 -68.9963 -240.987 PRESSAVG: 176400 5.30408 -20.0563 -28.2632 -20.0563 -4.37425 23.1892 -28.2633 23.1892 -7.55248 GPRESSAVG: 176400 3.9386 -20.2785 -28.3077 -21.9709 -3.89254 24.0849 -28.4337 22.4812 -7.46182 TIMING: 176400 CPU: 550.528, 0.00319396/step Wall: 550.528, 0.00319396/step, 4.27955 hours remaining, 233.355469 MB of memory in use. ENERGY: 176400 4019.2314 20432.1347 14441.7038 223.3041 -203371.4326 2989.0423 0.0000 0.0000 51742.4419 -109523.5744 297.3645 -161266.0163 -109172.8638 297.8121 66.0438 93.8091 763866.3002 -2.2075 -2.4719 PRESSURE: 176600 -74.0517 -152.493 -20.9466 -152.492 -583.851 207.119 -20.9466 207.118 -20.1394 GPRESSURE: 176600 -63.0428 -165.119 12.3357 -110.301 -454.053 197.142 17.0998 89.3905 -69.5616 PRESSAVG: 176600 -13.1326 4.73459 -43.6534 4.73451 14.2286 18.6685 -43.6535 18.6685 9.80641 GPRESSAVG: 176600 -12.8069 5.57403 -43.167 5.83002 14.7744 18.3384 -43.985 19.4981 9.41625 TIMING: 176600 CPU: 551.151, 0.00311292/step Wall: 551.151, 0.00311292/step, 4.17079 hours remaining, 233.558594 MB of memory in use. ENERGY: 176600 4030.3459 20468.0832 14413.4683 220.7628 -203109.4458 2587.5498 0.0000 0.0000 51823.6417 -109565.5941 297.8312 -161389.2358 -109204.2755 297.5802 -226.0140 -195.5524 764090.7296 3.6341 3.7946 PRESSURE: 176800 -78.6355 57.9822 15.7293 57.9819 -9.95748 5.05356 15.7296 5.05243 -103.488 GPRESSURE: 176800 42.6861 2.70631 95.3066 -74.1865 -47.2887 13.2349 71.7952 -74.8587 -113.257 PRESSAVG: 176800 -2.55923 -25.7646 45.0393 -25.7646 -4.74838 14.3398 45.0393 14.3397 6.39295 GPRESSAVG: 176800 -2.17686 -25.6174 44.9299 -26.4231 -4.62069 12.5451 42.9584 14.3466 5.15585 TIMING: 176800 CPU: 551.774, 0.00311641/step Wall: 551.774, 0.00311641/step, 4.17529 hours remaining, 233.558594 MB of memory in use. ENERGY: 176800 4024.6682 20630.9072 14420.0861 257.2473 -203072.6650 2655.1374 0.0000 0.0000 51904.3513 -109180.2674 298.2950 -161084.6188 -108826.5990 298.2939 -64.0269 -39.2864 765015.7248 -0.3049 -0.5472 PRESSURE: 177000 -78.504 -162.133 -231.287 -162.132 -108.907 -116.39 -231.286 -116.389 -43.9995 GPRESSURE: 177000 -57.713 -132.301 -300.917 -96.9738 -20.4375 -138.123 -233.237 80.4338 -52.6781 PRESSAVG: 177000 -3.78561 -79.2352 -78.4705 -79.2353 40.1172 -29.5822 -78.4705 -29.5822 4.86334 GPRESSAVG: 177000 -3.1332 -79.7869 -78.9386 -79.7028 39.0374 -30.0702 -77.2918 -28.785 5.27105 TIMING: 177000 CPU: 552.394, 0.00309768/step Wall: 552.394, 0.00309768/step, 4.15003 hours remaining, 233.558594 MB of memory in use. ENERGY: 177000 3947.6722 20540.7960 14519.4608 245.3294 -202919.6582 2659.7615 0.0000 0.0000 51892.8006 -109113.8378 298.2286 -161006.6383 -108752.0194 299.0746 -77.1368 -43.6096 763845.6656 13.7316 13.7251 PRESSURE: 177200 96.9193 1.17306 -29.7603 1.1728 237.518 -40.0842 -29.7596 -40.0844 324.649 GPRESSURE: 177200 123.542 -90.6084 -95.1338 -5.71553 260.226 -139.739 -62.8407 -108.615 363.823 PRESSAVG: 177200 -5.90794 -73.4002 -61.9668 -73.4001 40.5742 32.1829 -61.9668 32.1829 -5.71559 GPRESSAVG: 177200 -6.20085 -73.1022 -63.115 -73.0514 40.9423 34.2555 -62.5099 31.6033 -6.02135 TIMING: 177200 CPU: 553.015, 0.0031062/step Wall: 553.015, 0.0031062/step, 4.16128 hours remaining, 233.558594 MB of memory in use. ENERGY: 177200 3968.0091 20633.9174 14433.7951 249.3702 -202973.3207 2798.1917 0.0000 0.0000 51761.4991 -109128.5378 297.4740 -160890.0370 -108783.4659 298.3525 219.6954 249.1967 763785.6061 9.6502 9.5734 PRESSURE: 177400 -229.866 50.0744 -63.7112 50.0741 -22.3245 110.176 -63.7116 110.177 -241.057 GPRESSURE: 177400 -160.108 -36.5302 -9.70248 55.7035 -5.83443 109.503 -4.96005 83.0254 -233.073 PRESSAVG: 177400 -47.2916 -58.3493 6.82103 -58.3493 42.2187 53.3668 6.82106 53.3669 -10.0999 GPRESSAVG: 177400 -47.5992 -60.6488 7.32261 -57.8224 40.8098 52.541 7.42928 52.5861 -8.6407 TIMING: 177400 CPU: 553.636, 0.00310486/step Wall: 553.636, 0.00310486/step, 4.15931 hours remaining, 233.558594 MB of memory in use. ENERGY: 177400 3914.8897 20419.6766 14543.3833 257.3994 -203473.0955 3012.1937 0.0000 0.0000 52178.9074 -109146.6454 299.8729 -161325.5528 -108787.1967 298.4512 -164.4157 -133.0053 765472.5252 -5.0576 -5.1434 PRESSURE: 177600 136.988 -145.559 45.567 -145.559 -44.7269 -209.423 45.5675 -209.425 -410.602 GPRESSURE: 177600 133.685 -109.623 25.4297 -174.968 -12.2402 -199.547 41.1338 -109.877 -354.437 PRESSAVG: 177600 6.44328 -15.6615 -25.4981 -15.6615 65.256 5.04148 -25.4982 5.04151 -9.71478 GPRESSAVG: 177600 5.06778 -14.1035 -24.1745 -14.2985 67.6709 6.88463 -23.826 4.66326 -10.7164 TIMING: 177600 CPU: 554.255, 0.00309495/step Wall: 554.255, 0.00309495/step, 4.14586 hours remaining, 233.558594 MB of memory in use. ENERGY: 177600 4044.6562 20388.7161 14503.3506 257.5673 -203014.5352 2693.7827 0.0000 0.0000 52062.0978 -109064.3646 299.2016 -161126.4624 -108700.9673 298.5737 -106.1135 -77.6643 764406.1949 20.6615 20.6741 PRESSURE: 177800 -184.593 -178.381 -31.1156 -178.38 177.061 108.524 -31.1151 108.524 -47.6258 GPRESSURE: 177800 -177.116 -251.736 -66.4821 -147.846 158.24 140.703 -162.332 136.705 62.8469 PRESSAVG: 177800 -15.3969 11.1015 -57.4383 11.1015 18.1923 31.2682 -57.4383 31.2682 -6.82228 GPRESSAVG: 177800 -14.9371 10.5446 -58.2265 9.34934 16.5462 29.7103 -60.352 32.0525 -5.01291 TIMING: 177800 CPU: 554.874, 0.00309294/step Wall: 554.874, 0.00309294/step, 4.14299 hours remaining, 233.558594 MB of memory in use. ENERGY: 177800 4000.9275 20456.7323 14486.1248 263.4955 -203008.2479 2912.1198 0.0000 0.0000 52062.2443 -108826.6037 299.2024 -160888.8481 -108460.0527 298.6244 -18.3858 14.6571 763920.7754 -1.3423 -1.1346 PRESSURE: 178000 443.953 -51.8741 -169.631 -51.8733 137.233 -136.258 -169.631 -136.258 128.117 GPRESSURE: 178000 474.081 20.569 -261.191 25.9923 162.645 -194.943 -162.942 -98.5986 157.488 PRESSAVG: 178000 19.6529 22.586 -37.3935 22.586 -19.1467 48.9172 -37.3935 48.9172 -21.8041 GPRESSAVG: 178000 19.7652 22.5993 -38.9717 23.6525 -18.7244 48.5958 -35.8342 49.5092 -22.5505 TIMING: 178000 CPU: 555.493, 0.00309577/step Wall: 555.493, 0.00309577/step, 4.14661 hours remaining, 233.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 178000 3974.8631 20531.8779 14470.0745 263.6311 -202948.1466 2832.9764 0.0000 0.0000 52051.1663 -108823.5573 299.1388 -160874.7236 -108468.4094 299.2670 236.4342 264.7383 764330.3497 -7.0993 -7.1699 PRESSURE: 178200 82.4417 21.9694 97.7248 21.97 115.204 132.439 97.724 132.439 221.725 GPRESSURE: 178200 189.642 38.5923 99.287 119.662 199.512 256.478 158.175 138.286 108.376 PRESSAVG: 178200 -22.8035 -11.626 -29.0037 -11.626 8.25781 -34.7443 -29.0037 -34.7443 -18.8571 GPRESSAVG: 178200 -23.7314 -11.0341 -27.6704 -11.8 9.83127 -32.3484 -30.2365 -37.4557 -19.2019 TIMING: 178200 CPU: 556.111, 0.00309029/step Wall: 556.111, 0.00309029/step, 4.13911 hours remaining, 233.558594 MB of memory in use. ENERGY: 178200 3971.5824 20512.9710 14500.3621 252.9219 -202952.8026 2880.7493 0.0000 0.0000 52178.4724 -108655.7435 299.8704 -160834.2159 -108290.3913 299.4382 139.7902 165.8435 764071.7673 -11.1343 -11.0340 PRESSURE: 178400 61.0334 202.422 -24.3503 202.421 29.2836 349.098 -24.3506 349.098 -319.864 GPRESSURE: 178400 42.2524 242.944 -26.1304 51.0524 58.8672 344.283 -100.946 455.202 -245.158 PRESSAVG: 178400 -34.5976 -14.7307 2.46084 -14.7308 17.7599 -6.67088 2.46085 -6.67094 20.2129 GPRESSAVG: 178400 -34.2805 -13.8485 1.86446 -18.3709 16.9215 -8.25025 2.23745 -4.63408 20.703 TIMING: 178400 CPU: 556.734, 0.00311341/step Wall: 556.734, 0.00311341/step, 4.16989 hours remaining, 233.558594 MB of memory in use. ENERGY: 178400 3986.5558 20441.8022 14581.1064 246.6012 -202769.9126 2925.6041 0.0000 0.0000 51889.4684 -108698.7745 298.2095 -160588.2429 -108339.5914 299.1138 -76.5156 -48.0128 763877.1581 1.1250 1.1147 PRESSURE: 178600 309.502 -220.136 -116.394 -220.135 177.887 57.7563 -116.394 57.7556 79.556 GPRESSURE: 178600 248.759 -281.554 -134.9 -139.235 205.997 84.8377 -177.234 81.7523 174.852 PRESSAVG: 178600 -38.0294 -5.79033 -0.765985 -5.79033 47.2342 15.9515 -0.765941 15.9515 15.6748 GPRESSAVG: 178600 -38.5978 -4.19257 -0.73983 -5.73448 47.3464 14.7934 -1.44303 18.348 15.3648 TIMING: 178600 CPU: 557.357, 0.00311862/step Wall: 557.357, 0.00311862/step, 4.1767 hours remaining, 233.558594 MB of memory in use. ENERGY: 178600 3882.6565 20773.9396 14529.5302 253.9405 -203079.3206 2854.0487 0.0000 0.0000 52186.4230 -108598.7821 299.9161 -160785.2050 -108229.0764 299.1047 188.9817 209.8694 763780.3355 8.2932 8.0378 PRESSURE: 178800 -293.414 29.3071 49.7446 29.308 98.7724 -29.2313 49.7443 -29.2311 61.2219 GPRESSURE: 178800 -194.168 52.0209 100.36 49.6901 110.374 -23.2657 96.95 -45.7454 34.4154 PRESSAVG: 178800 -9.6821 -10.2907 15.5228 -10.2907 -14.9459 -4.86766 15.5228 -4.86767 -19.136 GPRESSAVG: 178800 -9.57329 -12.1356 17.1224 -9.10093 -15.8723 -3.14821 16.1651 -6.69813 -18.2818 TIMING: 178800 CPU: 557.978, 0.00310405/step Wall: 557.978, 0.00310405/step, 4.15702 hours remaining, 233.558594 MB of memory in use. ENERGY: 178800 3985.1144 20428.9164 14504.3905 250.4067 -203045.6228 2968.0464 0.0000 0.0000 52069.7971 -108838.9511 299.2458 -160908.7483 -108466.0793 299.2637 -44.4731 -16.4595 764748.7579 -14.5880 -14.5758 PRESSURE: 179000 72.5334 26.6029 156.607 26.6033 -352.545 207.075 156.608 207.076 -633.111 GPRESSURE: 179000 107.896 14.4718 117.733 48.82 -314.451 190.468 230.389 182.482 -622.148 PRESSAVG: 179000 0.975449 -8.35526 39.2469 -8.35524 31.5779 -19.6557 39.2469 -19.6558 19.9432 GPRESSAVG: 179000 1.59499 -9.85596 36.8069 -8.74173 32.0738 -21.0745 42.9627 -18.6528 19.1497 TIMING: 179000 CPU: 558.601, 0.00311248/step Wall: 558.601, 0.00311248/step, 4.16813 hours remaining, 233.558594 MB of memory in use. ENERGY: 179000 4000.0271 20551.0121 14492.2221 239.0338 -202720.3221 2675.3071 0.0000 0.0000 51703.7313 -109058.9886 297.1421 -160762.7199 -108691.8704 298.9883 -304.3740 -276.2342 763862.0304 17.4989 17.6062 PRESSURE: 179200 112.23 146.914 182.941 146.914 60.9287 -158.995 182.941 -158.995 -214.893 GPRESSURE: 179200 206.958 22.667 181.927 234.907 90.6414 -111.975 162.346 14.8963 -242.977 PRESSAVG: 179200 -17.1835 -8.3641 61.2586 -8.36413 43.4712 -7.78524 61.2586 -7.78527 8.52917 GPRESSAVG: 179200 -18.1686 -8.64356 62.9879 -6.82131 43.2231 -5.92691 57.8574 -8.72104 9.03193 TIMING: 179200 CPU: 559.218, 0.00308686/step Wall: 559.218, 0.00308686/step, 4.13365 hours remaining, 233.558594 MB of memory in use. ENERGY: 179200 4040.3152 20645.5217 14481.9774 222.5522 -203258.7331 2705.1343 0.0000 0.0000 52162.9104 -109000.3218 299.7810 -161163.2323 -108630.6148 298.6216 -13.9112 18.2077 764154.9330 11.6056 11.3621 PRESSURE: 179400 -149.457 73.033 24.6444 73.0327 5.16969 -70.1392 24.645 -70.14 -88.071 GPRESSURE: 179400 -82.5025 45.9248 128.334 20.1558 69.9329 -154.383 14.6 -111.481 -138.294 PRESSAVG: 179400 -12.8883 -19.745 -6.58039 -19.745 -2.71715 -27.443 -6.58037 -27.4429 17.7986 GPRESSAVG: 179400 -11.8582 -20.588 -7.35589 -20.7482 -2.37844 -28.9628 -7.2657 -26.3852 16.8246 TIMING: 179400 CPU: 559.834, 0.00307995/step Wall: 559.834, 0.00307996/step, 4.12423 hours remaining, 233.558594 MB of memory in use. ENERGY: 179400 3974.4519 20518.7075 14453.6897 254.8677 -202902.5055 2850.7608 0.0000 0.0000 51804.0890 -109045.9389 297.7188 -160850.0279 -108684.5531 298.9889 -77.4528 -50.2878 765216.9364 0.7311 0.8627 PRESSURE: 179600 -189.541 -10.8555 -128.55 -10.8557 -3.82399 263.152 -128.55 263.151 -337.301 GPRESSURE: 179600 -127.642 -52.6691 -94.5671 -39.2287 60.1901 235.363 -94.7216 214.547 -384.682 PRESSAVG: 179600 11.4715 17.1965 17.5189 17.1965 10.4394 13.8544 17.5189 13.8544 -3.78068 GPRESSAVG: 179600 11.5339 19.4514 16.8548 17.706 9.76891 14.6876 19.0079 13.4844 -3.48172 TIMING: 179600 CPU: 560.455, 0.00310527/step Wall: 560.455, 0.00310527/step, 4.15795 hours remaining, 233.558594 MB of memory in use. ENERGY: 179600 4073.0666 20334.3129 14504.1365 255.1731 -202966.3299 2789.4252 0.0000 0.0000 52045.7397 -108964.4758 299.1076 -161010.2154 -108584.4307 298.3268 -176.8888 -150.7113 764565.8334 6.0434 5.9403 PRESSURE: 179800 375.507 -53.8209 39.3892 -53.8209 74.9946 -51.8188 39.3898 -51.8186 146.768 GPRESSURE: 179800 431.259 -71.5529 -54.0993 20.1947 78.6148 -76.0069 95.0338 9.10146 161.082 PRESSAVG: 179800 -17.7742 -78.9978 -3.75722 -78.9978 -19.2631 -17.9029 -3.75721 -17.9029 12.5758 GPRESSAVG: 179800 -17.603 -78.7845 -3.54102 -78.9308 -19.0651 -18.2084 -4.78395 -19.1986 12.5247 TIMING: 179800 CPU: 561.074, 0.00309493/step Wall: 561.074, 0.00309493/step, 4.14394 hours remaining, 233.558594 MB of memory in use. ENERGY: 179800 4102.1814 20363.3724 14475.3447 231.5329 -203123.7157 2723.6791 0.0000 0.0000 52040.5017 -109187.1035 299.0775 -161227.6052 -108830.3818 298.4307 199.0899 223.6522 763821.7114 -8.1538 -8.0478 PRESSURE: 180000 -99.1409 -46.5853 -124.573 -46.5847 221.966 54.9859 -124.573 54.9865 -361.418 GPRESSURE: 180000 -105.3 -96.0594 -105.816 -11.3102 279.126 57.4286 -140.917 33.4661 -331.925 PRESSAVG: 180000 12.3944 -97.9693 -8.02187 -97.9693 9.29373 -0.213141 -8.02186 -0.213092 -6.73214 GPRESSAVG: 180000 11.7213 -98.6788 -8.55231 -97.2357 9.02451 -1.32299 -6.61613 0.689468 -6.34965 TIMING: 180000 CPU: 561.693, 0.00309357/step Wall: 561.693, 0.00309357/step, 4.14194 hours remaining, 233.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 180000 3941.5374 20373.9610 14473.4756 231.6131 -202864.1263 2535.8598 0.0000 0.0000 52012.0853 -109295.5940 298.9142 -161307.6794 -108919.5913 298.5678 -79.5310 -52.6995 765250.4961 4.9853 4.7987 PRESSURE: 180200 -88.7834 -240.464 -156.484 -240.465 253.593 0.094149 -156.485 0.0933935 -47.421 GPRESSURE: 180200 64.4145 -277.016 -211.482 -224.411 211.815 36.9715 -110.075 -35.5364 -67.9795 PRESSAVG: 180200 -73.2421 -30.3499 -30.6241 -30.3499 35.732 -54.3252 -30.6242 -54.3252 -10.5391 GPRESSAVG: 180200 -73.2616 -31.5032 -32.2259 -29.3041 36.108 -54.1651 -27.7869 -51.5359 -11.1523 TIMING: 180200 CPU: 562.311, 0.00309019/step Wall: 562.311, 0.00309019/step, 4.13725 hours remaining, 233.558594 MB of memory in use. ENERGY: 180200 4020.7587 20408.6197 14424.3032 235.3639 -203241.7632 3043.5073 0.0000 0.0000 52088.9430 -109020.2674 299.3559 -161109.2104 -108666.1417 298.3657 39.1295 69.4168 764449.2147 -16.0164 -16.1020 LDB: ============= START OF LOAD BALANCING ============== 574.785 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 574.786 LDB: =============== DONE WITH MIGRATION ================ 574.787 LDB: ============= START OF LOAD BALANCING ============== 575.098 LDB: Largest compute 7015 load 0.029049 is 14.9% of average load 0.194647 LDB: Average compute 0.004381 is 2.3% of average load 0.194647 LDB: TIME 575.102 LOAD: AVG 0.194647 MAX 0.217315 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 232.844 MB LDB: TIME 575.102 LOAD: AVG 0.194647 MAX 0.217315 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.844 MB LDB: TIME 575.102 LOAD: AVG 0.194647 MAX 0.217182 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.844 MB LDB: ============== END OF LOAD BALANCING =============== 575.104 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 575.109 PRESSURE: 180400 26.91 -37.0909 230.023 -37.0914 329.53 148.906 230.022 148.906 -215.626 GPRESSURE: 180400 53.8028 -80.6564 290.813 -13.4247 352.574 128.239 69.2631 4.17393 -175.308 PRESSAVG: 180400 6.035 -24.2858 37.2231 -24.2857 27.7704 -25.8543 37.2231 -25.8543 2.16162 GPRESSAVG: 180400 5.52284 -22.7163 39.9619 -28.0601 26.8595 -26.227 33.8649 -27.6793 3.39999 TIMING: 180400 CPU: 562.943, 0.00316383/step Wall: 562.943, 0.00316383/step, 4.23566 hours remaining, 232.843750 MB of memory in use. ENERGY: 180400 4017.1860 20551.9150 14456.8644 238.2684 -203222.1162 2922.6763 0.0000 0.0000 51910.7155 -109124.4905 298.3316 -161035.2060 -108767.8447 298.4764 46.9380 77.0231 762787.7365 11.9890 11.9274 PRESSURE: 180600 271.83 -224.467 -166.925 -224.467 199.816 -30.8364 -166.925 -30.8362 23.1737 GPRESSURE: 180600 288.589 -225.752 -176.572 -132.47 209.117 -118.497 -235.195 76.4138 84.2424 PRESSAVG: 180600 -4.47559 -39.9693 -18.8306 -39.9693 43.5221 25.4089 -18.8306 25.409 10.6103 GPRESSAVG: 180600 -3.98014 -40.2689 -19.6135 -39.0824 43.8627 25.7506 -20.0595 24.5483 9.58264 TIMING: 180600 CPU: 563.564, 0.0031039/step Wall: 563.564, 0.0031039/step, 4.15526 hours remaining, 232.843750 MB of memory in use. ENERGY: 180600 3923.5383 20542.8401 14538.2314 257.4540 -203054.5617 2813.5485 0.0000 0.0000 51996.3634 -108982.5860 298.8238 -160978.9493 -108616.3724 298.9436 164.9398 193.9828 763477.8884 16.5523 16.4884 PRESSURE: 180800 -225.212 39.3879 -260.398 39.388 -245.593 87.8565 -260.397 87.8567 -255.531 GPRESSURE: 180800 -156.381 21.346 -334.674 49.6641 -163.97 -23.4805 -195.545 275.956 -321.325 PRESSAVG: 180800 6.44279 8.44543 15.3649 8.44541 22.5078 -7.45601 15.3649 -7.456 -1.53135 GPRESSAVG: 180800 6.02233 8.13535 14.8337 9.45099 23.4404 -7.49044 16.5047 -5.06873 -0.703487 TIMING: 180800 CPU: 564.184, 0.00309973/step Wall: 564.184, 0.00309973/step, 4.1495 hours remaining, 232.843750 MB of memory in use. ENERGY: 180800 4028.3385 20415.2014 14387.5979 248.2658 -202948.1485 2664.6945 0.0000 0.0000 52274.0698 -108929.9808 300.4198 -161204.0505 -108564.8245 299.1868 -242.1120 -213.8920 765138.7048 9.1397 9.5864 PRESSURE: 181000 275.447 164.833 332.379 164.833 232.057 -26.4402 332.379 -26.4407 -100.034 GPRESSURE: 181000 407.542 122.951 411.875 111.669 196.769 44.7037 202.98 -247.412 -117.808 PRESSAVG: 181000 12.3403 -32.812 -28.8174 -32.812 -3.57805 -43.4301 -28.8174 -43.4301 1.64653 GPRESSAVG: 181000 12.3735 -32.5149 -29.1996 -32.6005 -4.25394 -41.9624 -27.4563 -45.0063 2.22442 TIMING: 181000 CPU: 564.805, 0.00310234/step Wall: 564.805, 0.00310234/step, 4.15283 hours remaining, 232.843750 MB of memory in use. ENERGY: 181000 4019.3485 20355.0511 14528.6214 254.4061 -202988.5896 2790.8042 0.0000 0.0000 52138.2176 -108902.1406 299.6391 -161040.3582 -108545.1827 298.8812 135.8236 162.1675 765066.4677 3.4696 3.4480 PRESSURE: 181200 53.8904 18.4784 127.682 18.4773 156.978 -112.949 127.682 -112.948 24.9873 GPRESSURE: 181200 79.3224 108.342 96.8078 -16.108 167.236 -128.438 119.612 -64.4734 43.9497 PRESSAVG: 181200 34.558 -25.6517 51.9907 -25.6517 -20.7211 -51.6318 51.9907 -51.6319 -12.7482 GPRESSAVG: 181200 36.4114 -25.815 52.5835 -25.545 -20.7796 -52.8834 52.1409 -51.6869 -14.0604 TIMING: 181200 CPU: 565.424, 0.0030976/step Wall: 565.424, 0.0030976/step, 4.1463 hours remaining, 232.843750 MB of memory in use. ENERGY: 181200 4007.8199 20538.0211 14496.2941 247.3000 -202884.9923 2719.3819 0.0000 0.0000 51784.7948 -109091.3805 297.6079 -160876.1753 -108725.9565 299.1070 78.6186 96.8360 763533.4809 0.3629 0.5238 PRESSURE: 181400 -343.251 -93.2107 42.2464 -93.2105 99.3089 -258.571 42.247 -258.572 -233.124 GPRESSURE: 181400 -255.314 -84.3071 126.619 -72.741 65.9773 -305.613 50.0009 -110.025 -231.933 PRESSAVG: 181400 -27.3946 -63.1001 29.7136 -63.1 82.2221 -0.322589 29.7136 -0.322568 -16.4983 GPRESSAVG: 181400 -28.2023 -62.7078 28.2126 -63.2817 81.9265 0.5131 31.0224 -1.37576 -15.5566 TIMING: 181400 CPU: 566.042, 0.00308716/step Wall: 566.042, 0.00308716/step, 4.13217 hours remaining, 232.843750 MB of memory in use. ENERGY: 181400 3989.9493 20592.7402 14433.8783 234.4473 -203118.6975 2945.6099 0.0000 0.0000 52015.2493 -108906.8232 298.9324 -160922.0726 -108542.1192 299.4662 -159.0220 -140.4234 764594.0321 12.7764 12.7225 PRESSURE: 181600 -287.437 -152.776 -46.76 -152.776 -269.548 159.263 -46.7609 159.263 9.51943 GPRESSURE: 181600 -285.271 -190.975 -45.8839 -89.4684 -223.895 100.584 43.7734 240.343 63.0951 PRESSAVG: 181600 -11.9992 -41.4043 10.8924 -41.4043 2.70718 -34.3618 10.8923 -34.3617 3.75643 GPRESSAVG: 181600 -13.6129 -42.2828 11.9258 -40.9304 5.22477 -35.315 9.79213 -33.4819 3.49193 TIMING: 181600 CPU: 566.659, 0.0030888/step Wall: 566.659, 0.0030888/step, 4.13419 hours remaining, 232.843750 MB of memory in use. ENERGY: 181600 4008.8765 20682.8541 14437.9322 261.1225 -202898.8055 2747.9183 0.0000 0.0000 51912.2691 -108847.8329 298.3405 -160760.1020 -108485.5391 299.1295 -182.4885 -148.6902 763966.1514 -1.8452 -1.6321 PRESSURE: 181800 123.277 -4.20155 21.8074 -4.20119 -42.7083 -16.2339 21.808 -16.2339 -282.292 GPRESSURE: 181800 74.3149 78.0243 -17.1788 -1.21704 103.814 5.23938 -154.372 27.4061 -291.268 PRESSAVG: 181800 -16.6128 -24.8166 2.08096 -24.8166 27.9876 -11.2252 2.08097 -11.2253 14.9048 GPRESSAVG: 181800 -14.9378 -24.7885 1.37663 -26.0169 27.6757 -10.3418 1.90106 -10.7331 14.0817 TIMING: 181800 CPU: 567.283, 0.00311715/step Wall: 567.283, 0.00311715/step, 4.17196 hours remaining, 232.843750 MB of memory in use. ENERGY: 181800 4051.6343 20643.7295 14417.2718 247.5811 -203193.2817 2891.6734 0.0000 0.0000 52034.6214 -108906.7702 299.0437 -160941.3916 -108550.9711 299.0436 -67.2412 -37.7129 762470.6923 8.7599 8.9399 PRESSURE: 182000 255.814 -245.61 -59.2728 -245.611 234.054 -53.0507 -59.2732 -53.051 -186.996 GPRESSURE: 182000 271.449 -287.647 -180.42 -229.108 218.678 -92.4489 -57.5128 -100.295 -127.865 PRESSAVG: 182000 84.6551 -64.1782 -7.60902 -64.1781 -72.5736 -19.026 -7.60901 -19.026 1.64936 GPRESSAVG: 182000 84.8401 -65.3208 -8.48859 -62.7534 -73.8146 -20.0701 -9.63949 -18.5419 2.35673 TIMING: 182000 CPU: 567.902, 0.0030936/step Wall: 567.902, 0.0030936/step, 4.14027 hours remaining, 232.843750 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: 182000 4045.9167 20563.7691 14479.4484 258.1727 -202536.3265 2493.6607 0.0000 0.0000 51972.3621 -108722.9967 298.6859 -160695.3589 -108362.4393 299.4703 100.9575 120.7541 762980.2313 4.5770 4.4608 PRESSURE: 182200 -334.374 -75.0591 -139.93 -75.0591 -384.785 -85.1426 -139.929 -85.1438 -376.119 GPRESSURE: 182200 -363.312 -45.0797 -123.574 -51.4835 -316.59 18.4614 -119.747 -89.832 -347.893 PRESSAVG: 182200 -19.9326 -69.688 31.0925 -69.688 -47.2911 -25.7051 31.0925 -25.7051 16.4262 GPRESSAVG: 182200 -21.6799 -68.8388 32.0448 -69.5931 -46.0323 -26.2649 33.2255 -27.1604 17.1933 TIMING: 182200 CPU: 568.52, 0.00309285/step Wall: 568.52, 0.00309285/step, 4.13909 hours remaining, 232.843750 MB of memory in use. ENERGY: 182200 4032.5653 20676.2162 14514.0289 232.1615 -202714.8462 2762.5340 0.0000 0.0000 51946.5366 -108550.8036 298.5375 -160497.3402 -108192.7918 300.0589 -365.0927 -342.5982 765758.1688 -16.9325 -16.8396 PRESSURE: 182400 138.319 43.3862 16.3402 43.3859 -16.9687 -27.8347 16.3401 -27.8339 496.637 GPRESSURE: 182400 181.692 54.8375 12.008 128.521 17.9116 15.8859 -112.836 68.6716 481.523 PRESSAVG: 182400 3.86605 -13.5859 -9.16974 -13.5859 6.52379 -27.5857 -9.16979 -27.5857 3.21394 GPRESSAVG: 182400 3.48676 -13.3609 -7.26028 -15.1118 6.32534 -25.1615 -9.54867 -27.0865 3.62893 TIMING: 182400 CPU: 569.14, 0.00309769/step Wall: 569.14, 0.00309769/step, 4.1454 hours remaining, 232.843750 MB of memory in use. ENERGY: 182400 3915.0663 20621.4818 14480.1135 267.3802 -203054.1677 2979.3467 0.0000 0.0000 52057.4147 -108733.3645 299.1747 -160790.7792 -108365.9049 299.4857 205.9959 227.0422 763983.7943 4.5346 4.4803 PRESSURE: 182600 -101.457 12.6596 158.295 12.6589 279.123 48.7484 158.295 48.7479 75.6764 GPRESSURE: 182600 19.2955 55.7376 150.591 13.8551 244.171 4.1418 111.567 72.0857 77.0452 PRESSAVG: 182600 -40.3186 -46.1283 -21.5636 -46.1283 18.5549 17.1193 -21.5635 17.1193 -19.2569 GPRESSAVG: 182600 -38.4563 -45.0029 -23.6974 -48.0391 17.9697 14.9602 -21.7781 17.4571 -20.5543 TIMING: 182600 CPU: 569.76, 0.00309986/step Wall: 569.76, 0.00309986/step, 4.14813 hours remaining, 232.843750 MB of memory in use. ENERGY: 182600 3956.9284 20571.2380 14479.2412 272.3741 -203278.6018 3106.0060 0.0000 0.0000 52187.0737 -108705.7404 299.9198 -160892.8141 -108348.4871 299.8551 84.4477 113.5040 765752.3089 -13.6735 -13.6803 PRESSURE: 182800 -277.114 18.0958 -44.0126 18.0953 -150.822 61.6401 -44.0121 61.6402 -338.749 GPRESSURE: 182800 -313.49 47.6973 -61.0553 -101.536 3.5773 -32.0581 -119.461 89.4098 -385.552 PRESSAVG: 182800 -22.8353 -17.1136 51.8047 -17.1136 20.6133 4.34579 51.8047 4.34582 4.18595 GPRESSAVG: 182800 -23.4686 -18.0349 52.6542 -17.8859 22.0837 3.8772 49.447 3.82776 3.2773 TIMING: 182800 CPU: 570.377, 0.00308829/step Wall: 570.377, 0.00308829/step, 4.13247 hours remaining, 232.843750 MB of memory in use. ENERGY: 182800 4056.3199 20552.8814 14421.5409 259.5161 -203065.5057 2776.8930 0.0000 0.0000 52236.9503 -108761.4041 300.2065 -160998.3544 -108397.9441 299.2939 -255.5615 -231.8214 766115.6376 0.6547 0.6308 PRESSURE: 183000 -261.392 258.778 -272.226 258.778 -228.733 121.147 -272.227 121.147 -39.6573 GPRESSURE: 183000 -185.122 284.678 -264.246 243.422 -170.063 37.2737 -170.724 110.532 -93.1851 PRESSAVG: 183000 -38.531 -26.1441 -73.0887 -26.1441 3.58732 -56.876 -73.0887 -56.876 -0.918603 GPRESSAVG: 183000 -39.6814 -25.0622 -72.3848 -23.5393 2.97002 -56.7213 -71.8053 -56.0473 0.487777 TIMING: 183000 CPU: 570.999, 0.00310812/step Wall: 570.999, 0.00310812/step, 4.15884 hours remaining, 232.843750 MB of memory in use. ENERGY: 183000 4058.2704 20489.0106 14432.5596 245.1070 -203106.7487 2704.9335 0.0000 0.0000 52254.3773 -108922.4902 300.3066 -161176.8675 -108555.7190 299.8465 -176.5941 -149.4567 763987.4037 -11.9541 -12.0745 PRESSURE: 183200 86.8206 17.7946 55.0028 17.7932 403.496 -5.41694 55.0024 -5.41791 68.277 GPRESSURE: 183200 91.4997 38.0847 64.7101 -51.5451 383.342 -44.5862 148.576 -1.59806 152.737 PRESSAVG: 183200 3.95136 -10.5879 -22.391 -10.5879 -3.65562 -23.1337 -22.3911 -23.1337 -20.4033 GPRESSAVG: 183200 5.34037 -11.8458 -22.0311 -9.71376 -4.33476 -21.4509 -20.6307 -24.6972 -21.3932 TIMING: 183200 CPU: 571.62, 0.00310324/step Wall: 571.62, 0.00310324/step, 4.15213 hours remaining, 232.843750 MB of memory in use. ENERGY: 183200 3998.9655 20585.6183 14404.9597 241.8212 -203327.8231 3043.9987 0.0000 0.0000 52266.9086 -108785.5512 300.3786 -161052.4598 -108421.3639 299.7324 186.1980 209.1930 762955.9258 -6.7025 -6.7959 PRESSURE: 183400 -48.2211 58.0385 -139.273 58.0389 -132.064 326.15 -139.272 326.15 -167.641 GPRESSURE: 183400 -93.4021 61.9779 -159.59 140.056 -56.9705 217.032 -189.147 286.357 -121.086 PRESSAVG: 183400 4.47446 -29.4765 41.7085 -29.4764 1.12931 7.52412 41.7085 7.52416 22.1068 GPRESSAVG: 183400 3.8138 -29.9433 40.5501 -28.1104 1.53999 5.8765 42.8741 7.3767 22.8462 TIMING: 183400 CPU: 572.241, 0.00310494/step Wall: 572.241, 0.00310494/step, 4.15423 hours remaining, 232.843750 MB of memory in use. ENERGY: 183400 3969.0675 20532.4892 14510.1708 247.2380 -203371.1565 2999.8056 0.0000 0.0000 52285.5496 -108826.8356 300.4858 -161112.3853 -108457.2557 299.5649 -115.9753 -90.4861 764327.0487 9.2369 9.4000 PRESSURE: 183600 -357.462 -231.131 -67.3597 -231.131 -149.067 -121.377 -67.359 -121.376 -549.912 GPRESSURE: 183600 -253.043 -270.177 -98.3128 -238.415 -224.241 -75.6636 57.3984 -41.0109 -506.458 PRESSAVG: 183600 3.46305 -57.4935 4.1682 -57.4935 8.19818 31.9281 4.16826 31.9281 15.9523 GPRESSAVG: 183600 5.54212 -56.8691 4.90043 -59.5307 7.99625 31.8106 1.79314 31.6793 14.4897 TIMING: 183600 CPU: 572.861, 0.00310333/step Wall: 572.861, 0.00310333/step, 4.15191 hours remaining, 232.843750 MB of memory in use. ENERGY: 183600 3939.6047 20692.4237 14509.2509 261.7055 -202774.5300 2520.8154 0.0000 0.0000 52099.1142 -108751.6155 299.4143 -160850.7297 -108381.7474 299.3795 -352.1469 -327.9140 765237.4197 9.2045 9.3427 PRESSURE: 183800 139.559 115.489 -84.4165 115.49 100.654 8.14608 -84.4169 8.14643 -425.043 GPRESSURE: 183800 144.066 55.2567 -123.777 13.1663 154.648 79.0151 -213.439 201.148 -392.885 PRESSAVG: 183800 -11.4128 -48.5782 26.2469 -48.5782 -0.313207 3.86201 26.2469 3.86197 -19.9561 GPRESSAVG: 183800 -12.6178 -48.7572 26.613 -47.5911 0.859376 5.23761 24.6839 5.54018 -18.9496 TIMING: 183800 CPU: 573.48, 0.00309205/step Wall: 573.48, 0.00309205/step, 4.13664 hours remaining, 232.843750 MB of memory in use. ENERGY: 183800 3959.6624 20453.5283 14514.4733 232.2020 -202629.1972 2423.7073 0.0000 0.0000 52316.9845 -108728.6393 300.6664 -161045.6239 -108353.9216 299.2916 -61.6102 -31.3901 764088.7339 -10.5607 -10.2360 PRESSURE: 184000 -79.9607 -42.9374 222.223 -42.9361 77.868 190.354 222.224 190.354 -54.4601 GPRESSURE: 184000 -65.7443 -137.668 320.487 83.4003 86.704 158.797 213.521 135.005 2.58364 PRESSAVG: 184000 9.3462 -8.24615 -11.7452 -8.2461 54.441 -2.6452 -11.7453 -2.64531 35.6579 GPRESSAVG: 184000 7.38496 -8.49905 -12.8733 -7.84044 55.4515 -3.2801 -9.78505 -3.00677 35.6031 TIMING: 184000 CPU: 574.099, 0.00309806/step Wall: 574.099, 0.00309806/step, 4.14451 hours remaining, 232.843750 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: 184000 3983.6736 20456.2785 14456.4616 255.7643 -202932.5285 2906.5762 0.0000 0.0000 52219.1567 -108654.6177 300.1042 -160873.7744 -108282.0781 299.3904 -18.8509 7.8478 764935.3705 33.1484 32.8132 PRESSURE: 184200 -324.349 101.806 42.7006 101.806 -391.438 8.77295 42.7008 8.77292 -504.6 GPRESSURE: 184200 -307.903 132.914 90.937 18.445 -376.253 20.8132 85.7178 -51.6185 -423.816 PRESSAVG: 184200 19.4191 -11.7342 15.4621 -11.7342 -66.9943 29.5487 15.4621 29.5487 -23.5155 GPRESSAVG: 184200 19.2253 -10.9384 15.4881 -12.5099 -67.9088 29.3908 14.3813 29.6639 -22.5279 TIMING: 184200 CPU: 574.721, 0.00310792/step Wall: 574.721, 0.00310792/step, 4.15753 hours remaining, 232.843750 MB of memory in use. ENERGY: 184200 4059.2544 20463.7379 14426.7233 249.8840 -202657.1115 2829.4772 0.0000 0.0000 52103.5962 -108524.4384 299.4401 -160628.0347 -108160.4938 300.1266 -406.7956 -369.3239 767716.9715 -23.6969 -23.7371 LDB: ============= START OF LOAD BALANCING ============== 587.199 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 587.2 LDB: =============== DONE WITH MIGRATION ================ 587.201 LDB: ============= START OF LOAD BALANCING ============== 587.512 LDB: Largest compute 7011 load 0.028861 is 14.8% of average load 0.194665 LDB: Average compute 0.004359 is 2.2% of average load 0.194665 LDB: TIME 587.515 LOAD: AVG 0.194665 MAX 0.217271 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.355 MB LDB: TIME 587.516 LOAD: AVG 0.194665 MAX 0.217271 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.355 MB LDB: TIME 587.516 LOAD: AVG 0.194665 MAX 0.217137 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.355 MB LDB: ============== END OF LOAD BALANCING =============== 587.518 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 587.523 PRESSURE: 184400 -27.8878 158.304 291.576 158.304 -87.9827 264.107 291.576 264.106 352.327 GPRESSURE: 184400 -34.5576 169.845 232.862 173.572 53.1989 287.891 158.661 332.415 282.29 PRESSAVG: 184400 -21.6718 15.0712 -9.39286 15.0711 24.1476 36.2338 -9.39284 36.2338 11.2372 GPRESSAVG: 184400 -21.2126 15.8768 -10.338 14.9901 23.5617 35.7133 -9.47781 36.126 10.528 TIMING: 184400 CPU: 575.357, 0.00318126/step Wall: 575.357, 0.00318126/step, 4.25547 hours remaining, 233.355469 MB of memory in use. ENERGY: 184400 3998.3221 20746.4273 14419.0634 256.1392 -202756.5516 2723.7646 0.0000 0.0000 51995.1445 -108617.6905 298.8168 -160612.8351 -108246.6047 300.1312 78.8187 100.3104 765324.6229 4.5710 4.2924 PRESSURE: 184600 186.513 113.058 291.124 113.058 309.653 -51.6993 291.124 -51.7 -69.1005 GPRESSURE: 184600 241.436 27.155 304.197 137.417 339.771 27.9287 254.764 -73.5255 -63.7778 PRESSAVG: 184600 -26.0379 43.8155 17.1134 43.8155 31.7716 49.0009 17.1135 49.001 -1.28183 GPRESSAVG: 184600 -25.0588 43.6116 17.922 44.208 30.3239 48.6743 17.6764 48.669 -1.16134 TIMING: 184600 CPU: 575.975, 0.00309204/step Wall: 575.975, 0.00309204/step, 4.13594 hours remaining, 233.355469 MB of memory in use. ENERGY: 184600 4079.9107 20464.9794 14467.3321 249.1841 -203179.2335 3018.9292 0.0000 0.0000 52210.6800 -108688.2180 300.0555 -160898.8980 -108318.5301 299.7707 142.3551 172.4765 762907.6634 1.4840 1.3679 PRESSURE: 184800 -204.98 -37.5549 83.3162 -37.5556 -150.843 -14.2457 83.3167 -14.2456 -21.2958 GPRESSURE: 184800 -207.929 -51.9945 110.668 100.939 -174.262 -36.9359 171.758 48.7119 94.0073 PRESSAVG: 184800 -20.4587 -9.31389 26.7826 -9.31395 11.0891 2.75648 26.7826 2.75648 1.26691 GPRESSAVG: 184800 -21.5024 -9.8776 26.6119 -7.20829 11.6228 3.77349 28.5441 3.63317 1.89075 TIMING: 184800 CPU: 576.595, 0.00309871/step Wall: 576.595, 0.00309871/step, 4.1447 hours remaining, 233.355469 MB of memory in use. ENERGY: 184800 4048.0541 20646.7401 14508.6133 270.3305 -203193.1367 2873.7728 0.0000 0.0000 52170.7444 -108674.8816 299.8260 -160845.6260 -108320.9366 299.8494 -125.7062 -96.0612 764486.7608 -2.7009 -2.6630 PRESSURE: 185000 -301.943 -137.863 86.7377 -137.862 -0.321948 -320.684 86.7383 -320.684 196.742 GPRESSURE: 185000 -186.896 -47.1225 233.332 -6.2409 45.8656 -263.24 -120.685 -246.628 133.481 PRESSAVG: 185000 -66.8166 -1.94568 11.1867 -1.94576 67.7375 -16.3404 11.1867 -16.3403 9.02303 GPRESSAVG: 185000 -65.8235 -0.932449 12.7411 -3.6161 67.7725 -16.6737 7.94198 -17.8269 7.25584 TIMING: 185000 CPU: 577.213, 0.00309078/step Wall: 577.213, 0.00309078/step, 4.13392 hours remaining, 233.355469 MB of memory in use. ENERGY: 185000 3928.2151 20514.4910 14431.8985 245.1673 -202629.2801 2692.9271 0.0000 0.0000 52049.5920 -108766.9891 299.1297 -160816.5811 -108400.8421 299.4867 -35.1744 -2.5162 765462.9352 3.3147 3.0683 PRESSURE: 185200 -102.097 -43.7851 -98.7737 -43.7846 -113.138 0.137488 -98.7735 0.137296 66.7912 GPRESSURE: 185200 36.4162 -18.626 -113.032 79.7135 -145.574 -74.6626 1.88855 -14.0734 40.6752 PRESSAVG: 185200 -13.8248 -12.751 13.3592 -12.751 56.7548 23.5772 13.3592 23.5772 -14.7576 GPRESSAVG: 185200 -15.1397 -12.6812 13.3932 -13.6203 56.1956 24.5186 12.7418 23.8291 -13.4864 TIMING: 185200 CPU: 577.838, 0.00312095/step Wall: 577.838, 0.00312095/step, 4.1741 hours remaining, 233.355469 MB of memory in use. ENERGY: 185200 3985.6708 20658.2892 14449.6774 233.4291 -202896.4962 2726.9185 0.0000 0.0000 52058.4674 -108784.0439 299.1807 -160842.5112 -108429.2924 299.3090 -49.4812 -22.8274 763801.0909 9.3908 9.1899 PRESSURE: 185400 -215.492 -7.506 61.6143 -7.5066 108.077 66.3527 61.6148 66.3529 -93.367 GPRESSURE: 185400 -184.54 -105.055 77.0675 44.7142 142.081 50.417 -45.1558 89.5409 -92.139 PRESSAVG: 185400 -63.4651 -16.8515 -19.6585 -16.8515 16.0526 20.9569 -19.6585 20.9569 3.78936 GPRESSAVG: 185400 -63.0135 -18.2788 -19.3156 -14.4278 15.8971 21.6391 -17.141 19.6931 3.59565 TIMING: 185400 CPU: 578.458, 0.00310318/step Wall: 578.458, 0.00310318/step, 4.15016 hours remaining, 233.355469 MB of memory in use. ENERGY: 185400 4029.9085 20612.3474 14506.8747 249.5575 -203330.8848 2955.7335 0.0000 0.0000 51966.3861 -109010.0770 298.6515 -160976.4632 -108646.2527 299.2804 -66.9274 -44.8658 763957.6590 -14.5410 -14.5069 PRESSURE: 185600 -3.74706 -150.141 164.573 -150.14 -333.633 -29.5147 164.574 -29.5151 -144.084 GPRESSURE: 185600 -33.0404 3.71737 78.2428 -96.6856 -197.306 2.67242 108.11 43.6573 -182.679 PRESSAVG: 185600 -47.824 -13.9458 10.6587 -13.9458 28.7897 25.1599 10.6586 25.16 27.9479 GPRESSAVG: 185600 -47.9487 -14.0841 9.14311 -14.8379 28.963 24.0497 7.83038 28.4186 27.9177 TIMING: 185600 CPU: 579.074, 0.00307887/step Wall: 579.074, 0.00307887/step, 4.11748 hours remaining, 233.355469 MB of memory in use. ENERGY: 185600 3985.3998 20466.9454 14547.2924 243.9341 -203075.3602 2840.1689 0.0000 0.0000 51986.6697 -109004.9499 298.7681 -160991.6196 -108646.2925 299.1942 -160.4879 -137.6751 765688.4360 2.9712 2.9774 PRESSURE: 185800 -170.905 71.7891 -242.805 71.7895 -323.799 4.76679 -242.806 4.76729 -156.809 GPRESSURE: 185800 -87.3714 8.06958 -253.597 98.857 -251.672 8.73855 -226.108 -38.7096 -235.489 PRESSAVG: 185800 -58.8692 41.2151 16.3682 41.215 51.7698 9.62575 16.3682 9.62572 16.3225 GPRESSAVG: 185800 -60.0672 40.6365 15.2953 39.8698 53.537 10.8403 18.69 7.66439 15.9632 TIMING: 185800 CPU: 579.692, 0.00309276/step Wall: 579.692, 0.00309276/step, 4.13588 hours remaining, 233.355469 MB of memory in use. ENERGY: 185800 3999.2187 20424.8413 14441.6491 233.5105 -203165.8399 2882.6284 0.0000 0.0000 52220.8062 -108963.1858 300.1137 -161183.9919 -108591.2604 299.1362 -217.1710 -191.5110 766030.5929 3.0744 3.1443 PRESSURE: 186000 -190.79 63.3715 -2.03982 63.3725 516.666 -27.503 -2.04016 -27.5039 -63.615 GPRESSURE: 186000 -138.813 147.717 78.5423 49.4504 442.681 -23.1998 -31.2151 -78.6451 31.4111 PRESSAVG: 186000 -110.141 -29.968 1.94773 -29.968 99.2199 1.84544 1.94774 1.84541 -20.4759 GPRESSAVG: 186000 -109.546 -28.7623 2.61205 -29.3507 97.5594 1.60502 2.56054 2.06012 -19.5774 TIMING: 186000 CPU: 580.309, 0.00308192/step Wall: 580.309, 0.00308192/step, 4.12121 hours remaining, 233.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 186000 3953.2427 20510.7512 14465.1236 265.5839 -203069.9170 3042.1921 0.0000 0.0000 51901.3823 -108931.6411 298.2780 -160833.0235 -108575.0679 299.1750 87.4204 111.7598 766408.8850 -10.4658 -10.5215 PRESSURE: 186200 26.6246 -34.2394 80.1558 -34.2396 -64.0069 70.6833 80.1559 70.6824 112.161 GPRESSURE: 186200 2.71043 -113.391 227.683 -48.6252 85.6591 -32.4773 20.3878 4.44313 70.1925 PRESSAVG: 186200 -43.8286 16.6426 8.81876 16.6425 56.7411 10.532 8.81872 10.532 3.11447 GPRESSAVG: 186200 -44.1305 16.821 9.46343 15.2532 58.8859 9.74538 9.01841 11.3848 1.39443 TIMING: 186200 CPU: 580.925, 0.00308295/step Wall: 580.925, 0.00308295/step, 4.12242 hours remaining, 233.355469 MB of memory in use. ENERGY: 186200 3972.2149 20377.0994 14399.0582 255.2621 -202998.6259 2790.4499 0.0000 0.0000 52310.7176 -108893.8237 300.6304 -161204.5413 -108530.4148 298.9440 24.9262 52.8540 764329.8068 5.3423 5.3833 PRESSURE: 186400 -106.131 0.483555 26.9014 0.483664 -163.963 158.757 26.9013 158.758 294.14 GPRESSURE: 186400 -123.177 12.2655 53.463 23.2205 -48.4249 193.272 59.3377 119.496 290.603 PRESSAVG: 186400 -29.5468 19.1198 13.5109 19.1198 3.48386 -10.7029 13.511 -10.7029 -0.921111 GPRESSAVG: 186400 -29.9149 18.8304 14.2101 19.4605 2.6275 -10.7314 12.0793 -10.9716 0.00467495 TIMING: 186400 CPU: 581.548, 0.00311107/step Wall: 581.548, 0.00311107/step, 4.15984 hours remaining, 233.355469 MB of memory in use. ENERGY: 186400 4005.3587 20529.6507 14488.4163 253.9207 -202995.2350 3033.8932 0.0000 0.0000 51891.2658 -108792.7296 298.2198 -160683.9954 -108437.3113 299.1906 8.0157 39.6670 765667.1130 -8.9947 -9.0942 PRESSURE: 186600 -737.942 -172.471 220.485 -172.472 -225.969 49.6983 220.484 49.6982 -368.115 GPRESSURE: 186600 -677.724 -121.035 133.455 -303.322 -313.835 20.4969 199.402 53.3522 -251.818 PRESSAVG: 186600 -11.7573 -12.3723 54.2129 -12.3723 6.32317 55.6457 54.213 55.6456 25.7589 GPRESSAVG: 186600 -11.6195 -13.842 52.9842 -11.7352 6.28882 57.0945 57.0907 55.8658 25.3951 TIMING: 186600 CPU: 582.17, 0.00311086/step Wall: 582.17, 0.00311086/step, 4.15939 hours remaining, 233.355469 MB of memory in use. ENERGY: 186600 4022.8080 20572.7931 14537.5875 265.8743 -202592.6594 2619.0606 0.0000 0.0000 51950.0724 -108624.4634 298.5578 -160574.5358 -108263.4786 299.5461 -444.0087 -414.4591 766134.8853 6.7749 6.6881 PRESSURE: 186800 -313.046 40.5049 10.5207 40.5059 101.916 -338.795 10.5194 -338.795 -323.516 GPRESSURE: 186800 -211.177 34.8955 -80.9738 -118.837 42.2639 -357.633 1.02591 -379.698 -305.179 PRESSAVG: 186800 -39.4077 -13.4744 69.1061 -13.4744 27.5663 25.526 69.1061 25.526 -23.9068 GPRESSAVG: 186800 -39.8205 -13.0612 69.9064 -13.9145 26.9891 24.151 65.9421 24.1528 -22.894 TIMING: 186800 CPU: 582.789, 0.00309402/step Wall: 582.789, 0.00309402/step, 4.13671 hours remaining, 233.355469 MB of memory in use. ENERGY: 186800 3969.8170 20698.4553 14560.1241 243.4367 -203232.9211 3026.8412 0.0000 0.0000 52204.2190 -108530.0278 300.0184 -160734.2468 -108172.9864 299.9628 -178.2153 -158.0306 766783.0926 -11.9161 -11.9085 PRESSURE: 187000 -329.054 -44.5629 -28.3492 -44.563 -182.487 -2.73912 -28.3487 -2.73934 -276.149 GPRESSURE: 187000 -314.088 -76.6767 -42.8896 -3.56478 -162.191 108.539 -6.11389 105.043 -218.573 PRESSAVG: 187000 -82.664 -19.9638 8.89825 -19.9638 44.7967 38.5958 8.8982 38.5958 -1.98637 GPRESSAVG: 187000 -81.0395 -18.9011 7.37853 -20.2108 44.9957 39.8452 9.65116 39.1366 -3.04403 TIMING: 187000 CPU: 583.408, 0.00309631/step Wall: 583.408, 0.00309631/step, 4.1396 hours remaining, 233.355469 MB of memory in use. ENERGY: 187000 4068.1580 20583.9671 14511.1135 277.1834 -202953.7697 2712.6208 0.0000 0.0000 52205.0601 -108595.6668 300.0232 -160800.7269 -108235.4477 300.2271 -262.5634 -231.6176 766930.8526 -13.2846 -13.0293 PRESSURE: 187200 -171.141 -81.9882 220.06 -81.9882 225.184 86.6845 220.06 86.6844 269.51 GPRESSURE: 187200 -110.816 -23.1324 219.411 -3.67691 182.43 108.502 277.94 35.7548 325.281 PRESSAVG: 187200 6.15867 -53.3474 87.259 -53.3475 3.57096 58.0107 87.259 58.0107 -28.5456 GPRESSAVG: 187200 5.66913 -52.4908 88.955 -51.6253 3.20847 58.4638 89.0399 56.8981 -27.742 TIMING: 187200 CPU: 584.031, 0.00311709/step Wall: 584.031, 0.00311709/step, 4.1672 hours remaining, 233.355469 MB of memory in use. ENERGY: 187200 3992.9807 20574.3402 14492.9632 232.4660 -203160.7837 2940.8830 0.0000 0.0000 52247.9333 -108679.2175 300.2696 -160927.1507 -108316.9603 299.7350 107.8511 132.2985 764136.2963 -6.2720 -6.2881 PRESSURE: 187400 -50.4243 -63.9496 -253.475 -63.9499 -189.17 33.6372 -253.475 33.6381 123.543 GPRESSURE: 187400 -25.4808 -85.1344 -256.187 -139.62 -138.59 79.3429 -338.537 -12.3735 135.336 PRESSAVG: 187400 -28.8642 -26.3127 33.5409 -26.3127 6.32216 51.8181 33.5409 51.8182 -0.85306 GPRESSAVG: 187400 -30.0144 -29.0492 32.9587 -25.954 7.57684 51.1831 32.8674 53.8529 -1.31872 TIMING: 187400 CPU: 584.654, 0.00311422/step Wall: 584.654, 0.00311422/step, 4.1632 hours remaining, 233.355469 MB of memory in use. ENERGY: 187400 3929.7373 20386.2467 14509.1605 255.6460 -202918.6152 2834.3491 0.0000 0.0000 52026.6997 -108976.7759 298.9982 -161003.4756 -108618.1724 298.9900 -38.6837 -9.5782 764438.8064 -7.7984 -7.9188 PRESSURE: 187600 359.36 40.1091 -48.7047 40.1083 -103.325 65.6603 -48.7044 65.66 374.108 GPRESSURE: 187600 344.191 90.3578 -30.6131 53.8617 -6.65479 75.319 -168.085 -1.95185 390.198 PRESSAVG: 187600 -3.58737 -44.8109 1.63627 -44.8109 -45.5303 18.7026 1.63632 18.7026 -33.2803 GPRESSAVG: 187600 -3.20293 -43.6756 1.84066 -46.3986 -46.4663 19.084 1.4855 18.3025 -32.2732 TIMING: 187600 CPU: 585.278, 0.00311838/step Wall: 585.278, 0.00311838/step, 4.16858 hours remaining, 233.355469 MB of memory in use. ENERGY: 187600 3980.7401 20275.3460 14506.3315 255.1838 -203301.8712 3156.1435 0.0000 0.0000 52241.4829 -108886.6435 300.2325 -161128.1264 -108511.2813 299.1102 210.0476 242.5780 764648.3576 -27.4660 -27.3141 PRESSURE: 187800 -218.717 166.629 -305.704 166.628 -288.325 -313.254 -305.704 -313.254 39.1821 GPRESSURE: 187800 -163.498 245.756 -365.123 118.379 -197.387 -349.738 -189.172 -206.993 -22.6747 PRESSAVG: 187800 31.0504 -2.87045 -32.0254 -2.87051 -40.3284 -5.43815 -32.0255 -5.43816 -9.27427 GPRESSAVG: 187800 31.6998 -3.22836 -33.2488 -2.25933 -39.7241 -5.86388 -30.5754 -4.45741 -10.7158 TIMING: 187800 CPU: 585.899, 0.00310592/step Wall: 585.899, 0.00310592/step, 4.15175 hours remaining, 233.355469 MB of memory in use. ENERGY: 187800 4028.2600 20352.5587 14493.6074 241.9366 -202475.0149 2623.9692 0.0000 0.0000 52115.6053 -108619.0778 299.5091 -160734.6831 -108242.6068 299.4283 -155.9531 -127.8532 764297.1048 -6.1841 -6.2467 PRESSURE: 188000 -405.345 -197.541 -193.794 -197.541 76.9186 -74.828 -193.795 -74.8276 -124.852 GPRESSURE: 188000 -338.474 -111.278 -201.197 -232.606 -3.07477 -190.628 -217.304 -168.661 -53.8423 PRESSAVG: 188000 12.626 -10.3062 -64.9488 -10.3062 -24.1874 -1.9205 -64.9488 -1.92039 -9.83107 GPRESSAVG: 188000 11.2679 -8.86601 -64.3451 -10.3716 -24.4836 -1.75548 -69.0312 -3.18581 -8.46995 TIMING: 188000 CPU: 586.52, 0.0031032/step Wall: 586.52, 0.0031032/step, 4.14795 hours remaining, 233.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 188000 4013.5188 20536.2492 14432.1779 220.7393 -202474.7268 2740.7524 0.0000 0.0000 51984.3905 -108546.8987 298.7550 -160531.2892 -108186.4003 299.4489 -151.0926 -131.7971 766392.8493 -7.1308 -7.2286 PRESSURE: 188200 207.323 -125.287 8.22875 -125.288 281.533 -80.4958 8.22876 -80.496 158.35 GPRESSURE: 188200 183.759 -117.625 44.7758 -87.7321 334.98 -106.045 18.9041 -38.4752 204.169 PRESSAVG: 188200 10.8843 -13.757 6.32305 -13.757 51.2958 51.1696 6.32301 51.1695 5.4974 GPRESSAVG: 188200 10.4216 -13.7865 7.71245 -13.3537 51.7934 49.7416 9.6977 51.3568 5.81278 TIMING: 188200 CPU: 587.142, 0.00311223/step Wall: 587.142, 0.00311223/step, 4.15984 hours remaining, 233.355469 MB of memory in use. ENERGY: 188200 3954.9125 20460.1816 14530.6498 241.8734 -202980.2241 3192.7290 0.0000 0.0000 52084.8116 -108515.0661 299.3321 -160599.8778 -108152.3848 299.5572 215.7351 240.9691 765419.6384 22.5592 22.6759 LDB: ============= START OF LOAD BALANCING ============== 599.622 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 599.623 LDB: =============== DONE WITH MIGRATION ================ 599.624 LDB: ============= START OF LOAD BALANCING ============== 599.934 LDB: Largest compute 7052 load 0.029381 is 15.1% of average load 0.194730 LDB: Average compute 0.004365 is 2.2% of average load 0.194730 LDB: TIME 599.938 LOAD: AVG 0.19473 MAX 0.221012 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.125 MB LDB: TIME 599.938 LOAD: AVG 0.19473 MAX 0.221012 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.125 MB LDB: TIME 599.938 LOAD: AVG 0.19473 MAX 0.213692 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.125 MB LDB: ============== END OF LOAD BALANCING =============== 599.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 599.945 PRESSURE: 188400 -51.6078 -23.0016 -24.3773 -23.0016 208.492 186.803 -24.3778 186.804 -82.714 GPRESSURE: 188400 76.0903 -58.2597 16.5039 -64.7343 160.79 202.591 65.1696 230.185 -70.1017 PRESSAVG: 188400 12.1556 -22.0763 -11.8358 -22.0763 0.281557 44.4063 -11.8358 44.4063 26.4706 GPRESSAVG: 188400 12.9297 -21.6359 -12.1301 -22.2879 0.560858 45.0402 -12.3863 48.1393 25.1808 TIMING: 188400 CPU: 587.78, 0.00318778/step Wall: 587.78, 0.00318779/step, 4.26065 hours remaining, 234.691406 MB of memory in use. ENERGY: 188400 3910.6830 20534.6394 14557.4131 266.6870 -202472.5892 2611.6392 0.0000 0.0000 52100.5023 -108491.0252 299.4223 -160591.5275 -108129.7522 299.4555 24.7233 55.5930 765326.3573 12.9692 12.8904 PRESSURE: 188600 -51.2517 60.7295 21.3264 60.7288 -204.741 -166.846 21.3271 -166.846 -15.0518 GPRESSURE: 188600 16.0765 -10.4728 -20.0146 71.8525 -211.184 -151.54 -45.1155 -185.324 26.5969 PRESSAVG: 188600 11.644 -14.9296 13.3127 -14.9297 -30.0864 45.36 13.3127 45.36 2.94478 GPRESSAVG: 188600 11.7672 -15.2685 13.0734 -16.1515 -30.2287 45.3067 12.1611 41.401 3.52961 TIMING: 188600 CPU: 588.401, 0.00310817/step Wall: 588.401, 0.00310817/step, 4.15406 hours remaining, 234.894531 MB of memory in use. ENERGY: 188600 4022.7859 20573.7429 14464.1314 271.1435 -202880.4964 3006.4307 0.0000 0.0000 51907.3974 -108634.8646 298.3125 -160542.2620 -108276.7135 299.9700 -90.3480 -56.1703 766381.5904 -5.1659 -4.9773 PRESSURE: 188800 -110.094 44.8767 -135.285 44.8768 -185.613 71.7557 -135.284 71.756 373.974 GPRESSURE: 188800 -44.3008 41.4808 -158.242 4.99751 -142.519 107.71 -66.5254 -128.754 352.141 PRESSAVG: 188800 20.6882 -6.0402 -4.17171 -6.0401 -18.2443 3.24079 -4.1717 3.24083 30.6255 GPRESSAVG: 188800 20.2232 -9.14889 -3.9906 -5.33184 -17.9329 4.07661 -3.6344 3.47654 30.7954 TIMING: 188800 CPU: 589.021, 0.00310044/step Wall: 589.021, 0.00310044/step, 4.14356 hours remaining, 234.894531 MB of memory in use. ENERGY: 188800 4054.0454 20364.4807 14571.3975 252.8476 -202819.2496 2857.8987 0.0000 0.0000 51898.1930 -108820.3869 298.2596 -160718.5799 -108464.3097 299.4546 26.0892 55.1072 764708.2236 11.0231 11.0286 PRESSURE: 189000 -231.97 101.424 -384.59 101.425 -225.653 23.0421 -384.59 23.0412 -49.0622 GPRESSURE: 189000 -154.863 108.516 -339.613 105.496 -141.981 -1.52009 -290.094 -51.1945 -132.302 PRESSAVG: 189000 10.6263 0.660804 -7.66254 0.660853 15.0331 -63.4597 -7.66243 -63.4596 -24.2226 GPRESSAVG: 189000 10.5643 3.02563 -6.87355 1.78242 15.7003 -64.6286 -6.39335 -62.2202 -24.8811 TIMING: 189000 CPU: 589.642, 0.00310291/step Wall: 589.642, 0.00310291/step, 4.14669 hours remaining, 234.894531 MB of memory in use. ENERGY: 189000 3936.8317 20512.0818 14430.8927 246.3848 -203293.5237 2972.5154 0.0000 0.0000 52296.0389 -108898.7784 300.5461 -161194.8173 -108528.6394 299.1233 -168.8949 -143.0487 765164.6601 0.4789 0.4612 PRESSURE: 189200 -167.11 83.4124 107.187 83.4128 85.644 248.452 107.187 248.453 -3.69113 GPRESSURE: 189200 -197.286 47.8157 14.4044 126.549 175.435 211.632 219.265 193.952 16.5946 PRESSAVG: 189200 -22.5285 19.3838 37.3017 19.3838 -3.4583 -8.90684 37.3017 -8.90682 -5.53806 GPRESSAVG: 189200 -22.7685 19.8296 35.4779 19.6364 -4.25047 -8.55146 36.3654 -10.3774 -4.2442 TIMING: 189200 CPU: 590.265, 0.0031173/step Wall: 590.265, 0.0031173/step, 4.16575 hours remaining, 234.894531 MB of memory in use. ENERGY: 189200 4022.9929 20388.6812 14473.7299 247.8889 -203168.6290 2908.5104 0.0000 0.0000 52195.2893 -108931.5363 299.9670 -161126.8256 -108579.2143 299.3739 -28.3857 -1.7521 764104.9961 -10.5083 -10.4210 PRESSURE: 189400 93.0723 -38.0632 -135.187 -38.0644 236.878 64.74 -135.188 64.741 -132.198 GPRESSURE: 189400 105.928 -88.1107 -95.7611 -35.9538 342.191 87.8434 -107.465 37.1061 -161.375 PRESSAVG: 189400 -5.74347 -11.4963 11.887 -11.4963 23.6266 23.7331 11.887 23.733 12.8911 GPRESSAVG: 189400 -5.18702 -13.1897 13.2603 -10.2669 24.6913 24.5035 12.0864 23.8816 11.5014 TIMING: 189400 CPU: 590.886, 0.00310082/step Wall: 590.886, 0.00310082/step, 4.14356 hours remaining, 234.894531 MB of memory in use. ENERGY: 189400 3938.4768 20460.4969 14467.0104 272.5923 -203247.4086 2830.9554 0.0000 0.0000 52084.2980 -109193.5788 299.3292 -161277.8768 -108824.8264 299.0379 65.9176 95.5815 762680.0389 10.2581 10.3352 PRESSURE: 189600 95.8549 -43.866 73.0576 -43.8656 162.408 240.264 73.0577 240.265 25.8306 GPRESSURE: 189600 137.278 -51.1436 58.7066 -22.0464 191.838 170.378 21.9682 201.048 20.9252 PRESSAVG: 189600 -31.0878 5.73143 -5.91121 5.73143 54.2268 -8.79799 -5.91116 -8.79791 -9.05511 GPRESSAVG: 189600 -31.5271 7.39404 -5.67214 3.77745 53.0202 -9.08684 -7.21043 -8.44403 -7.74644 TIMING: 189600 CPU: 591.506, 0.00310204/step Wall: 591.506, 0.00310204/step, 4.14501 hours remaining, 234.894531 MB of memory in use. ENERGY: 189600 3981.1732 20570.2411 14533.6362 235.5709 -203163.8469 2976.4722 0.0000 0.0000 51801.6813 -109065.0720 297.7050 -160866.7533 -108710.5958 298.8283 94.6980 116.6803 762967.8336 4.6947 4.5822 PRESSURE: 189800 72.096 109.629 340.191 109.629 175.597 15.1347 340.191 15.1352 82.4469 GPRESSURE: 189800 103.255 58.5321 394.276 152.735 261.655 -26.1223 167.962 -1.14572 48.7981 PRESSAVG: 189800 -40.7753 -11.7831 30.1154 -11.7831 26.9734 48.129 30.1155 48.129 -6.21418 GPRESSAVG: 189800 -40.7208 -11.6185 29.7519 -10.7274 26.0557 47.4254 30.5981 48.341 -5.30802 TIMING: 189800 CPU: 592.132, 0.00313043/step Wall: 592.132, 0.00313043/step, 4.18278 hours remaining, 234.894531 MB of memory in use. ENERGY: 189800 3957.4483 20535.3622 14562.1703 245.7620 -203181.6485 2860.1791 0.0000 0.0000 51729.0134 -109291.7132 297.2874 -161020.7266 -108936.1835 298.3785 110.0465 137.9028 764779.7907 -6.6720 -6.6577 PRESSURE: 190000 136.066 15.7509 -98.5229 15.7509 -227.305 276.03 -98.5233 276.031 370.603 GPRESSURE: 190000 123.476 50.3488 -185.9 95.9987 -188.317 263.23 39.4379 138.866 450.201 PRESSAVG: 190000 -0.281782 21.2756 -10.562 21.2756 25.4787 20.5355 -10.562 20.5355 20.3032 GPRESSAVG: 190000 0.415423 19.946 -12.5337 20.6357 26.4098 19.2222 -10.5573 20.7318 19.6143 TIMING: 190000 CPU: 592.752, 0.00309822/step Wall: 592.752, 0.00309822/step, 4.13957 hours remaining, 234.894531 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: 190000 3995.0091 20212.8426 14493.8375 256.4196 -203040.8541 2843.2946 0.0000 0.0000 51869.8402 -109369.6104 298.0967 -161239.4506 -109010.7565 297.8018 93.1213 128.4531 764663.9651 15.1667 15.4799 PRESSURE: 190200 -225.059 -117.195 -48.631 -117.195 6.5303 -130.867 -48.6313 -130.866 -500.743 GPRESSURE: 190200 -210.643 -122.589 -15.8754 -51.4219 9.07479 -188.937 4.17062 -174.961 -437.088 PRESSAVG: 190200 23.5214 -28.5035 -8.70222 -28.5034 -39.778 15.277 -8.70222 15.2771 8.87769 GPRESSAVG: 190200 22.8183 -28.1294 -7.07642 -28.2869 -38.646 16.0827 -7.65931 14.8191 8.55425 TIMING: 190200 CPU: 593.371, 0.00309645/step Wall: 593.371, 0.00309646/step, 4.13704 hours remaining, 234.894531 MB of memory in use. ENERGY: 190200 3975.0675 20461.0411 14580.3605 231.4877 -202703.7116 2488.4420 0.0000 0.0000 51929.9526 -109037.3601 298.4422 -160967.3127 -108670.3883 298.2279 -239.7572 -212.8856 765686.8750 -2.4596 -2.4245 PRESSURE: 190400 -43.0924 33.0249 39.9205 33.024 -244.768 40.807 39.9216 40.8076 55.4322 GPRESSURE: 190400 -36.468 -24.3059 110.502 -109.651 -84.3189 38.837 -22.667 81.7574 -23.2492 PRESSAVG: 190400 -12.9321 -21.5982 -4.50955 -21.5982 -29.8292 -11.8991 -4.50952 -11.8991 -3.29893 GPRESSAVG: 190400 -13.9354 -19.8615 -4.16749 -22.2386 -29.607 -10.4868 -6.12004 -13.1706 -3.02167 TIMING: 190400 CPU: 593.992, 0.00310687/step Wall: 593.992, 0.00310687/step, 4.15077 hours remaining, 234.894531 MB of memory in use. ENERGY: 190400 3916.7439 20283.7222 14526.2739 258.2053 -203250.2821 2926.4648 0.0000 0.0000 52201.2923 -109137.5796 300.0015 -161338.8720 -108764.1086 298.7425 -77.4759 -48.0120 765111.9411 -15.3534 -15.5213 PRESSURE: 190600 -112.781 -121.35 265.534 -121.35 479.639 -142.222 265.533 -142.222 -342.325 GPRESSURE: 190600 -37.437 -50.5474 271.648 -56.6854 416.506 -67.9977 228.031 -204.898 -278.522 PRESSAVG: 190600 -50.882 -35.5304 -9.56217 -35.5304 97.6213 -13.1662 -9.56223 -13.1663 5.77795 GPRESSAVG: 190600 -50.1782 -35.778 -9.49952 -35.9088 96.9882 -12.4527 -7.66253 -11.9355 5.91204 TIMING: 190600 CPU: 594.614, 0.00310982/step Wall: 594.614, 0.00310982/step, 4.15454 hours remaining, 234.894531 MB of memory in use. ENERGY: 190600 3976.2445 20549.1835 14534.8342 263.2155 -203192.2810 2918.7915 0.0000 0.0000 51850.5285 -109099.4834 297.9857 -160950.0119 -108755.5675 298.0741 8.1778 33.5158 763614.7257 17.5057 17.5740 PRESSURE: 190800 -240.129 -34.0611 -101.447 -34.0615 24.5582 -90.763 -101.447 -90.7627 256.6 GPRESSURE: 190800 -182.741 -69.3132 -115.591 -92.1925 64.3949 -97.6728 32.9164 -2.90673 219.168 PRESSAVG: 190800 2.74555 -25.7042 61.9765 -25.7042 13.0632 23.0491 61.9764 23.049 -6.34208 GPRESSAVG: 190800 2.64027 -26.0594 62.504 -25.7568 13.5815 21.7517 60.6146 23.5246 -6.76429 TIMING: 190800 CPU: 595.236, 0.00310637/step Wall: 595.236, 0.00310637/step, 4.14977 hours remaining, 234.894531 MB of memory in use. ENERGY: 190800 4058.4811 20345.7860 14489.3036 254.6433 -203167.5897 2833.7708 0.0000 0.0000 52044.8704 -109140.7346 299.1026 -161185.6050 -108782.8935 298.6724 13.6764 33.6072 763492.6194 3.1556 3.1525 PRESSURE: 191000 -293.244 26.153 -139.992 26.1541 -295.834 -150.162 -139.992 -150.162 -30.5613 GPRESSURE: 191000 -246.765 62.6612 -44.6635 -81.8864 -241.637 -190.893 14.169 -85.7008 -61.8349 PRESSAVG: 191000 -23.1247 -52.9829 -23.092 -52.9829 15.0244 -37.8661 -23.0921 -37.866 -8.93864 GPRESSAVG: 191000 -22.5902 -52.3633 -25.0959 -53.0289 15.1579 -39.4945 -21.1489 -38.8499 -9.21681 TIMING: 191000 CPU: 595.856, 0.00310189/step Wall: 595.856, 0.00310189/step, 4.14361 hours remaining, 234.894531 MB of memory in use. ENERGY: 191000 4016.5917 20494.3444 14460.0851 237.5277 -202491.6729 2446.0527 0.0000 0.0000 51827.7694 -109009.3018 297.8549 -160837.0712 -108644.9159 298.7507 -206.5466 -183.4120 764193.4546 -5.6796 -5.5497 PRESSURE: 191200 44.9593 -124.241 73.9567 -124.24 201.556 211.839 73.957 211.839 -183.221 GPRESSURE: 191200 70.5294 -31.6967 18.7015 -201.131 277.805 257.126 -12.7042 173.363 -188.663 PRESSAVG: 191200 -22.0127 -23.6908 -37.5683 -23.6907 42.8968 18.0764 -37.5684 18.0764 -17.3453 GPRESSAVG: 191200 -22.0719 -25.3086 -35.2323 -24.1387 42.9601 18.6682 -38.9503 19.9998 -17.1863 TIMING: 191200 CPU: 596.476, 0.00310007/step Wall: 596.476, 0.00310007/step, 4.141 hours remaining, 234.894531 MB of memory in use. ENERGY: 191200 3974.9176 20408.6586 14481.4334 225.3343 -203086.1648 3070.5485 0.0000 0.0000 51891.4600 -109033.8124 298.2209 -160925.2724 -108671.4703 298.5943 21.0980 53.2238 765393.4645 1.1796 1.2340 PRESSURE: 191400 165.37 -306.15 121.433 -306.15 -2.77946 43.4617 121.432 43.4625 -143.338 GPRESSURE: 191400 194.974 -235.097 119.342 -148.547 50.9292 51.0596 61.8619 -92.8459 -145.012 PRESSAVG: 191400 -46.1624 2.5839 10.4604 2.58394 17.2838 -63.8662 10.4604 -63.8662 -13.259 GPRESSAVG: 191400 -46.8399 3.29375 10.0209 4.17224 18.199 -63.2747 9.111 -65.1012 -13.6663 TIMING: 191400 CPU: 597.096, 0.00309796/step Wall: 597.096, 0.00309796/step, 4.13802 hours remaining, 234.894531 MB of memory in use. ENERGY: 191400 3976.0262 20578.2877 14446.7005 248.2998 -202994.1342 2907.6845 0.0000 0.0000 52111.9273 -108725.2082 299.4880 -160837.1355 -108359.8039 299.1387 6.4175 33.6302 765071.3572 -14.0458 -14.1024 PRESSURE: 191600 -70.9025 42.8057 82.637 42.8046 -85.7398 -149.966 82.6361 -149.966 255.423 GPRESSURE: 191600 -1.30833 12.1206 0.796011 126.516 -95.8365 -116.099 -26.8789 18.3827 278.386 PRESSAVG: 191600 -4.91629 -24.1636 -60.897 -24.1637 52.6125 24.2815 -60.8971 24.2815 16.5784 GPRESSAVG: 191600 -5.0713 -24.0554 -61.6974 -24.5067 51.8169 24.5937 -60.0137 23.395 17.6952 TIMING: 191600 CPU: 597.717, 0.00310712/step Wall: 597.717, 0.00310712/step, 4.15008 hours remaining, 234.894531 MB of memory in use. ENERGY: 191600 3917.1446 20628.9815 14478.6854 253.3903 -203297.2566 3112.7323 0.0000 0.0000 52118.6773 -108787.6453 299.5268 -160906.3226 -108432.6858 299.4026 32.9268 60.4136 764777.9351 21.4249 21.4803 PRESSURE: 191800 -80.314 -52.844 73.2866 -52.8439 57.2418 -155.835 73.287 -155.834 -178.092 GPRESSURE: 191800 13.948 -15.5264 86.4613 -141.484 74.2223 -59.3644 43.5936 -173.401 -201.917 PRESSAVG: 191800 15.1881 -30.6592 -30.9798 -30.6592 -10.2483 -76.6872 -30.9797 -76.6871 24.5515 GPRESSAVG: 191800 15.7567 -30.0839 -30.7248 -31.8409 -9.73491 -75.0116 -30.3144 -76.3091 23.5794 TIMING: 191800 CPU: 598.335, 0.00309116/step Wall: 598.335, 0.00309116/step, 4.12859 hours remaining, 234.894531 MB of memory in use. ENERGY: 191800 3985.9036 20584.7744 14460.1041 231.5486 -203303.3785 3003.7956 0.0000 0.0000 52216.0176 -108821.2345 300.0862 -161037.2522 -108454.4345 299.0084 -67.0547 -37.9155 764027.2308 9.8304 9.8671 PRESSURE: 192000 -355.929 14.7959 -134.449 14.7963 -335.287 -15.0272 -134.448 -15.0266 -78.3884 GPRESSURE: 192000 -338.13 119.218 -178.864 4.70095 -230.174 -120.79 36.1108 52.5155 -111.248 PRESSAVG: 192000 -30.7621 -27.5957 28.1582 -27.5957 22.1096 -9.84168 28.1582 -9.84167 -12.1976 GPRESSAVG: 192000 -29.9954 -28.2138 27.111 -25.2558 21.67 -10.704 27.7093 -10.7311 -12.1362 TIMING: 192000 CPU: 598.954, 0.00309487/step Wall: 598.954, 0.00309487/step, 4.13338 hours remaining, 234.894531 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: 192000 3995.4816 20542.4401 14477.1527 245.9777 -203260.5250 2939.2764 0.0000 0.0000 52170.1094 -108890.0871 299.8223 -161060.1965 -108521.6919 299.4572 -256.5347 -226.5174 764816.1628 -6.9500 -6.8205 PRESSURE: 192200 157.495 3.38503 -13.0645 3.38436 537.726 -42.0889 -13.0646 -42.0888 235.702 GPRESSURE: 192200 255.33 -37.3995 30.2167 -2.06599 569.017 -36.4912 -26.9629 88.5362 174.13 PRESSAVG: 192200 -51.9595 -52.6785 -17.1301 -52.6785 89.1999 -17.6243 -17.1301 -17.6243 -3.03271 GPRESSAVG: 192200 -51.3405 -53.7869 -18.378 -52.731 87.4614 -18.554 -17.0352 -17.0564 -1.89237 TIMING: 192200 CPU: 599.572, 0.00308679/step Wall: 599.572, 0.00308679/step, 4.12241 hours remaining, 234.894531 MB of memory in use. ENERGY: 192200 4021.6411 20487.3805 14506.9916 248.0677 -203267.3534 3132.0046 0.0000 0.0000 52086.8306 -108784.4373 299.3437 -160871.2679 -108424.1864 299.2369 310.3077 332.8257 764134.1636 11.4026 11.4095 LDB: ============= START OF LOAD BALANCING ============== 612.048 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 612.048 LDB: =============== DONE WITH MIGRATION ================ 612.049 LDB: ============= START OF LOAD BALANCING ============== 612.36 LDB: Largest compute 6997 load 0.030467 is 15.7% of average load 0.194612 LDB: Average compute 0.004371 is 2.2% of average load 0.194612 LDB: TIME 612.363 LOAD: AVG 0.194612 MAX 0.217024 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 232.438 MB LDB: TIME 612.363 LOAD: AVG 0.194612 MAX 0.217024 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.441 MB LDB: TIME 612.364 LOAD: AVG 0.194612 MAX 0.217024 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.441 MB LDB: ============== END OF LOAD BALANCING =============== 612.365 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 612.37 PRESSURE: 192400 -322.331 147.86 -351.15 147.859 -122.705 -117.072 -351.15 -117.072 -191.468 GPRESSURE: 192400 -206.766 217.395 -329.153 99.5289 -209.401 -31.2979 -265.008 -29.4312 -145.33 PRESSAVG: 192400 -45.1814 -46.1658 8.64439 -46.1658 48.6845 -33.238 8.64438 -33.238 15.5901 GPRESSAVG: 192400 -45.7194 -44.4194 11.6524 -47.1075 50.2439 -33.2082 7.32015 -32.0149 14.3973 TIMING: 192400 CPU: 600.204, 0.00316284/step Wall: 600.204, 0.00316284/step, 4.2238 hours remaining, 232.949219 MB of memory in use. ENERGY: 192400 3995.0741 20527.9561 14548.2404 264.0329 -202541.3095 2420.4932 0.0000 0.0000 52123.9952 -108661.5176 299.5573 -160785.5128 -108290.1383 299.4063 -212.1681 -187.1659 764581.2599 6.3644 6.3073 PRESSURE: 192600 -301.241 138.608 138.549 138.608 -182.151 -36.7062 138.549 -36.7061 229.233 GPRESSURE: 192600 -183.985 15.0433 126.886 203.053 -221.991 -125.64 227.166 88.4754 235.859 PRESSAVG: 192600 -10.4114 -39.3351 -8.02568 -39.3351 28.7097 4.04986 -8.02573 4.04975 2.52244 GPRESSAVG: 192600 -10.1309 -41.9486 -8.63705 -39.1626 27.7775 4.72964 -6.13944 2.66752 2.57365 TIMING: 192600 CPU: 600.823, 0.00309602/step Wall: 600.823, 0.00309603/step, 4.1344 hours remaining, 233.152344 MB of memory in use. ENERGY: 192600 3989.2253 20552.9576 14585.0189 254.3194 -202556.9759 2563.9431 0.0000 0.0000 51927.2550 -108684.2565 298.4266 -160611.5116 -108317.0222 299.3280 -84.7196 -56.7054 764203.4202 6.9402 6.7401 PRESSURE: 192800 -40.8054 -119.797 -154.573 -119.797 268.957 -92.7145 -154.574 -92.7145 -222.176 GPRESSURE: 192800 -50.9358 45.653 -96.9772 -52.2855 388.331 -95.2408 -304.275 21.0483 -254.761 PRESSAVG: 192800 44.1703 -44.2746 6.37385 -44.2745 -70.2676 -37.6745 6.37391 -37.6744 -1.56083 GPRESSAVG: 192800 43.6757 -42.3063 5.83351 -45.2873 -70.1279 -39.7202 6.12971 -34.6652 -1.66251 TIMING: 192800 CPU: 601.444, 0.00310453/step Wall: 601.444, 0.00310453/step, 4.14559 hours remaining, 233.152344 MB of memory in use. ENERGY: 192800 3969.6697 20500.1962 14496.1168 243.9753 -202825.6740 2829.5601 0.0000 0.0000 51949.4376 -108836.7183 298.5541 -160786.1559 -108470.4247 298.8338 1.9919 27.5449 763071.4731 -9.2194 -9.3716 PRESSURE: 193000 417.503 171.578 -10.9697 171.578 324.991 42.235 -10.9691 42.2353 477.62 GPRESSURE: 193000 475.124 69.3559 -51.609 204.057 339.105 -16.4084 75.2873 -47.4679 477.572 PRESSAVG: 193000 14.0449 0.0401413 -73.758 0.0401107 -27.7843 -50.4931 -73.7579 -50.4932 -20.2689 GPRESSAVG: 193000 14.0557 0.354346 -74.1293 1.08977 -27.5057 -49.783 -74.3026 -53.143 -20.5396 TIMING: 193000 CPU: 602.064, 0.00309612/step Wall: 602.064, 0.00309612/step, 4.13418 hours remaining, 233.152344 MB of memory in use. ENERGY: 193000 3938.2624 20441.5684 14481.5079 240.6162 -203470.8481 3232.5498 0.0000 0.0000 52289.8989 -108846.4446 300.5108 -161136.3435 -108479.0925 299.4457 406.7049 430.6002 763372.0060 -11.3361 -11.3299 PRESSURE: 193200 -252.557 -40.1433 -14.8559 -40.1436 -181.428 -72.8752 -14.8548 -72.8755 139.094 GPRESSURE: 193200 -267.412 53.6078 -31.6692 3.1067 -42.9756 -147.208 -14.5884 -92.4223 112.067 PRESSAVG: 193200 4.08937 25.2779 -10.5411 25.2779 58.5443 -79.0755 -10.541 -79.0755 -0.391131 GPRESSAVG: 193200 4.64799 24.5719 -12.1981 25.4088 59.1088 -77.5542 -9.98034 -79.397 -0.827866 TIMING: 193200 CPU: 602.683, 0.00309907/step Wall: 602.683, 0.00309907/step, 4.13795 hours remaining, 233.152344 MB of memory in use. ENERGY: 193200 4025.4458 20378.6276 14515.7258 255.4019 -202964.5277 2937.6862 0.0000 0.0000 52093.0439 -108758.5965 299.3794 -160851.6404 -108387.4451 299.4727 -98.2969 -66.1066 764129.8171 20.7475 20.9763 PRESSURE: 193400 -29.9485 -6.854 -36.7926 -6.85388 -252.022 18.7123 -36.7923 18.7128 -330.119 GPRESSURE: 193400 11.9641 -23.4769 -58.0662 74.7749 -244.546 59.9165 14.0024 131.428 -297.512 PRESSAVG: 193400 -26.9216 -1.19331 -28.4398 -1.19332 53.6389 37.5157 -28.4398 37.5157 11.2247 GPRESSAVG: 193400 -27.3732 0.268048 -25.7323 -1.8344 53.2899 35.6265 -29.4814 37.6188 11.4209 TIMING: 193400 CPU: 603.307, 0.00311891/step Wall: 603.307, 0.00311891/step, 4.16426 hours remaining, 233.152344 MB of memory in use. ENERGY: 193400 3986.6024 20412.0271 14531.5676 266.8616 -203263.6369 3102.9203 0.0000 0.0000 51893.1081 -109070.5497 298.2304 -160963.6578 -108704.7440 298.4362 -204.0297 -176.6980 765600.2862 12.6473 12.4459 PRESSURE: 193600 104.738 -14.6565 192.166 -14.657 -141.646 -186.721 192.166 -186.721 -48.0763 GPRESSURE: 193600 52.3552 43.2107 153.579 -34.7359 -61.6315 -155.876 87.3488 -154.442 5.6321 PRESSAVG: 193600 -14.5014 3.11856 -44.3064 3.11857 -33.4206 0.579354 -44.3064 0.579367 0.686765 GPRESSAVG: 193600 -16.293 2.22151 -44.8166 3.56627 -32.7697 1.00127 -43.4582 0.233401 1.73156 TIMING: 193600 CPU: 603.93, 0.00311237/step Wall: 603.93, 0.00311237/step, 4.15536 hours remaining, 233.152344 MB of memory in use. ENERGY: 193600 3936.0257 20357.9094 14579.7807 234.5453 -203623.0848 3180.4222 0.0000 0.0000 52336.2095 -108998.1921 300.7769 -161334.4015 -108629.2113 298.4378 -28.3281 -1.2147 764795.9390 -15.7451 -15.7770 PRESSURE: 193800 -507.273 68.1787 -91.6383 68.1799 -364.134 20.8028 -91.6385 20.8031 -382.93 GPRESSURE: 193800 -531.899 -15.2974 -85.6453 136.426 -255.876 35.2506 -133.83 66.3025 -366.914 PRESSAVG: 193800 -8.56842 -28.2293 26.7067 -28.2293 18.0834 0.416279 26.7067 0.416317 1.64188 GPRESSAVG: 193800 -7.23055 -28.2396 26.8975 -29.991 17.0565 0.0150567 26.5153 1.57113 1.514 TIMING: 193800 CPU: 604.555, 0.0031251/step Wall: 604.555, 0.0031251/step, 4.17218 hours remaining, 233.152344 MB of memory in use. ENERGY: 193800 4083.9398 20593.6994 14493.7395 245.1061 -203020.7886 2772.8419 0.0000 0.0000 51976.8267 -108854.6353 298.7115 -160831.4619 -108485.2018 298.7972 -418.1124 -384.8965 765533.1987 3.7190 3.7800 PRESSURE: 194000 -53.8876 202.121 -6.9672 202.12 30.9018 122.339 -6.96837 122.339 294.142 GPRESSURE: 194000 86.5713 161.429 -37.2628 260.429 19.6631 90.9969 -32.8944 230.577 258.747 PRESSAVG: 194000 57.6761 -35.2199 51.4069 -35.2199 -59.8056 -0.0507172 51.4069 -0.0506826 5.02769 GPRESSAVG: 194000 59.7784 -35.269 51.935 -36.1395 -60.9285 -0.497993 50.4615 -0.640218 4.2952 TIMING: 194000 CPU: 605.176, 0.00310669/step Wall: 605.176, 0.00310669/step, 4.14743 hours remaining, 233.152344 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: 194000 4002.9908 20455.9954 14517.5436 239.6502 -202783.5358 2754.0690 0.0000 0.0000 51921.5472 -108891.7395 298.3938 -160813.2867 -108530.9069 299.1855 90.3853 121.6604 765922.6158 0.9661 1.0483 PRESSURE: 194200 -310.541 -65.5699 164.293 -65.5704 150.765 26.4607 164.294 26.4597 2.32679 GPRESSURE: 194200 -269.591 -17.4977 119.675 -112.471 154.31 -58.8093 139.841 95.9334 30.7709 PRESSAVG: 194200 -19.2473 52.9069 44.0869 52.9069 1.17376 27.3202 44.0869 27.3202 -30.7508 GPRESSAVG: 194200 -19.4009 54.674 42.698 52.7959 1.47422 26.3076 43.2846 27.8506 -30.4534 TIMING: 194200 CPU: 605.799, 0.00311619/step Wall: 605.799, 0.00311619/step, 4.15994 hours remaining, 233.152344 MB of memory in use. ENERGY: 194200 4087.9075 20434.8232 14586.4870 257.4201 -202926.1259 2876.5885 0.0000 0.0000 52104.5310 -108578.3686 299.4455 -160682.8997 -108215.0543 299.7462 -52.4831 -28.1702 766724.9426 -16.2748 -16.1267 PRESSURE: 194400 -146.303 127.09 -243.745 127.09 -133 27.8742 -243.746 27.875 -192.733 GPRESSURE: 194400 -166.376 25.5297 -279.682 67.071 -71.0502 61.541 -246.754 108.035 -184.642 PRESSAVG: 194400 -45.0571 18.2231 18.7108 18.2231 21.3414 -7.55155 18.7108 -7.55153 7.63443 GPRESSAVG: 194400 -46.2211 15.6976 19.2788 21.2568 22.472 -7.14764 18.9989 -7.87785 8.03432 TIMING: 194400 CPU: 606.418, 0.00309434/step Wall: 606.418, 0.00309434/step, 4.13059 hours remaining, 233.152344 MB of memory in use. ENERGY: 194400 3958.9637 20679.6526 14436.4825 255.9133 -202989.2370 2967.9569 0.0000 0.0000 52164.7823 -108525.4857 299.7917 -160690.2680 -108166.8413 300.1222 -157.3455 -140.6892 765814.8369 -5.3604 -5.2383 PRESSURE: 194600 -65.7483 -224.215 38.283 -224.215 226.887 50.6758 38.2833 50.6758 246.871 GPRESSURE: 194600 58.9436 -253.167 43.5782 -230.162 97.9158 126.518 3.18832 52.2127 324.929 PRESSAVG: 194600 -30.4038 -7.76806 -18.2087 -7.76803 27.6454 33.6703 -18.2088 33.6703 4.33442 GPRESSAVG: 194600 -31.3535 -4.33175 -19.3687 -10.7072 26.7982 36.945 -18.8033 32.1663 5.55861 TIMING: 194600 CPU: 607.039, 0.00310303/step Wall: 607.039, 0.00310303/step, 4.14203 hours remaining, 233.152344 MB of memory in use. ENERGY: 194600 4002.5667 20635.0443 14487.6104 257.9115 -202843.1314 2873.7128 0.0000 0.0000 52133.1893 -108453.0964 299.6102 -160586.2857 -108088.1984 300.3649 136.0031 160.5961 764401.1006 0.5253 0.3344 PRESSURE: 194800 55.7835 -80.2238 -217.194 -80.2233 301.973 -40.1778 -217.194 -40.1788 350.21 GPRESSURE: 194800 206.186 -109.363 -258.157 -25.4247 353.955 -60.6599 -107.654 -62.4661 240.77 PRESSAVG: 194800 -46.153 -52.9605 62.4825 -52.9604 36.7024 36.7152 62.4826 36.7152 3.79239 GPRESSAVG: 194800 -45.0584 -56.5917 62.3825 -49.248 36.4782 34.3494 62.5078 38.8756 2.52957 TIMING: 194800 CPU: 607.657, 0.00309033/step Wall: 607.657, 0.00309033/step, 4.1249 hours remaining, 233.152344 MB of memory in use. ENERGY: 194800 3979.2054 20579.3630 14469.7666 258.5061 -202655.2806 2824.4321 0.0000 0.0000 51896.4113 -108647.5963 298.2494 -160544.0075 -108278.8719 299.9654 235.9888 266.9704 765775.5965 -1.8861 -2.0169 PRESSURE: 195000 -21.4364 -188.164 407.424 -188.163 -14.3569 125.438 407.423 125.438 -232.427 GPRESSURE: 195000 -110.176 -33.7049 381.916 -120.75 78.2187 21.6372 262.318 72.8119 -152.53 PRESSAVG: 195000 -43.0221 -41.6086 42.3642 -41.6086 22.7775 13.4827 42.3641 13.4828 1.19281 GPRESSAVG: 195000 -43.3931 -38.9616 42.6502 -41.8943 22.2887 12.9524 41.2549 10.789 1.90239 TIMING: 195000 CPU: 608.275, 0.00309351/step Wall: 608.275, 0.00309351/step, 4.12898 hours remaining, 233.152344 MB of memory in use. ENERGY: 195000 4028.9318 20644.2780 14411.9755 238.5219 -202908.2657 2765.9296 0.0000 0.0000 52211.8879 -108606.7409 300.0624 -160818.6288 -108243.4660 299.3607 -89.4068 -61.4959 766026.9397 -6.3506 -6.4007 PRESSURE: 195200 34.1576 -258.654 58.8436 -258.654 202.96 8.32231 58.8437 8.32183 -49.8449 GPRESSURE: 195200 59.803 -236.042 62.1854 -141.201 222.142 -30.1787 -83.9337 124.637 -10.3054 PRESSAVG: 195200 -1.41869 -31.1886 22.0785 -31.1888 -8.34157 -9.71435 22.0785 -9.71433 -6.40706 GPRESSAVG: 195200 -1.68764 -32.2663 22.3434 -33.4643 -7.61069 -9.78643 24.0278 -8.01781 -6.65047 TIMING: 195200 CPU: 608.892, 0.00308479/step Wall: 608.892, 0.00308479/step, 4.11716 hours remaining, 233.152344 MB of memory in use. ENERGY: 195200 4000.6921 20474.5039 14509.7238 265.7459 -203071.1793 2803.5558 0.0000 0.0000 52075.1296 -108941.8281 299.2765 -161016.9578 -108587.3421 299.4596 62.4244 90.5465 764295.3407 -5.3891 -5.3163 PRESSURE: 195400 -565.459 -50.7592 -18.0309 -50.7603 -261.627 -111.251 -18.0305 -111.25 83.1567 GPRESSURE: 195400 -558.092 -18.925 -18.7975 -51.1149 -257.639 -54.4785 -63.7173 13.4048 110.324 PRESSAVG: 195400 -7.18057 43.1647 15.9864 43.1647 -34.9102 -47.4197 15.9863 -47.4198 -10.8717 GPRESSAVG: 195400 -7.71378 43.821 16.9723 44.958 -34.2421 -47.0896 15.0095 -47.3419 -11.532 TIMING: 195400 CPU: 609.516, 0.00311826/step Wall: 609.516, 0.00311826/step, 4.16167 hours remaining, 233.152344 MB of memory in use. ENERGY: 195400 3949.1473 20467.5127 14516.5656 260.8663 -202762.6092 2515.8207 0.0000 0.0000 51924.0880 -109128.6086 298.4084 -161052.6965 -108761.1687 298.3990 -247.9763 -235.1355 764603.1923 -17.6542 -17.8293 PRESSURE: 195600 28.1063 155.061 134.726 155.062 68.3178 -46.2602 134.727 -46.2601 44.0069 GPRESSURE: 195600 -5.89771 182.824 87.2345 95.8637 158.745 5.94632 150.074 -43.4117 46.5533 PRESSAVG: 195600 11.5444 0.726057 62.1036 0.725995 -25.4377 48.5743 62.1036 48.5743 20.8589 GPRESSAVG: 195600 11.1121 -0.442611 61 -0.101713 -25.2557 48.9953 61.8556 46.6593 20.6997 TIMING: 195600 CPU: 610.139, 0.00311252/step Wall: 610.139, 0.00311252/step, 4.15383 hours remaining, 233.152344 MB of memory in use. ENERGY: 195600 3968.1712 20479.0658 14568.4192 241.7211 -203485.2686 3171.0768 0.0000 0.0000 51954.7275 -109102.0869 298.5845 -161056.8144 -108746.8305 298.5520 46.8104 66.4669 763560.2668 2.3219 2.1853 PRESSURE: 195800 -8.22662 10.099 -213.684 10.0992 -84.3108 49.3199 -213.684 49.3223 187.042 GPRESSURE: 195800 13.6877 13.4403 -142.922 26.5328 -28.2072 100.266 -199.984 155.963 192.542 PRESSAVG: 195800 -14.6864 -14.0592 -51.0914 -14.0591 20.6478 4.22104 -51.0915 4.22108 5.23351 GPRESSAVG: 195800 -14.8839 -14.5536 -49.263 -14.2123 20.1182 3.74816 -50.1705 4.71709 6.35772 TIMING: 195800 CPU: 610.758, 0.00309702/step Wall: 610.758, 0.00309702/step, 4.13297 hours remaining, 233.152344 MB of memory in use. ENERGY: 195800 3921.7246 20522.6494 14493.7053 227.0294 -203055.3411 2738.6317 0.0000 0.0000 52075.7262 -109075.8746 299.2799 -161151.6007 -108719.1889 298.4561 31.5015 59.3407 764784.1735 3.7316 3.8640 PRESSURE: 196000 -331.01 -72.0859 196.927 -72.0855 208.587 143.329 196.927 143.329 117.01 GPRESSURE: 196000 -244.629 -106.991 142.871 46.4325 163.214 129.662 100.851 25.1865 159.857 PRESSAVG: 196000 -48.1229 19.6495 40.4796 19.6494 -4.34467 6.56717 40.4796 6.56713 7.726 GPRESSAVG: 196000 -47.8371 20.4836 39.6982 20.0708 -2.9492 8.15353 40.7918 5.51344 6.04723 TIMING: 196000 CPU: 611.377, 0.00309692/step Wall: 611.377, 0.00309692/step, 4.13267 hours remaining, 233.152344 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: 196000 3998.6870 20518.2101 14417.6592 246.8471 -203068.9998 2797.8778 0.0000 0.0000 51862.4898 -109227.2288 298.0544 -161089.7186 -108868.1554 298.6196 -1.8042 26.1476 765645.7603 -14.9139 -14.9130 PRESSURE: 196200 64.396 129.877 -97.8401 129.877 110.031 51.8546 -97.8405 51.854 192.118 GPRESSURE: 196200 65.8692 96.5421 -68.0121 -93.9093 181.041 -24.3991 -35.1578 -54.968 206.169 PRESSAVG: 196200 -8.40892 8.53211 1.73044 8.5321 -21.5831 -47.7669 1.73042 -47.767 7.38149 GPRESSAVG: 196200 -7.55491 5.82444 1.30666 7.572 -22.4921 -50.0118 1.961 -46.503 6.82762 TIMING: 196200 CPU: 611.999, 0.00310892/step Wall: 611.999, 0.00310892/step, 4.1485 hours remaining, 233.152344 MB of memory in use. ENERGY: 196200 3952.4029 20322.7420 14480.7942 261.4668 -203136.0572 2984.5053 0.0000 0.0000 52017.6562 -109116.4899 298.9462 -161134.1461 -108741.8840 298.2586 122.1817 151.0265 764843.8103 -7.5368 -7.7398 LDB: ============= START OF LOAD BALANCING ============== 624.476 LDB: ============== END OF LOAD BALANCING =============== 624.476 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 624.478 LDB: ============= START OF LOAD BALANCING ============== 624.789 LDB: Largest compute 7052 load 0.030119 is 15.5% of average load 0.194701 LDB: Average compute 0.004388 is 2.3% of average load 0.194701 LDB: TIME 624.792 LOAD: AVG 0.194701 MAX 0.214516 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 232.438 MB LDB: TIME 624.793 LOAD: AVG 0.194701 MAX 0.214516 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.438 MB LDB: TIME 624.793 LOAD: AVG 0.194701 MAX 0.214516 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.438 MB LDB: ============== END OF LOAD BALANCING =============== 624.795 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 624.8 PRESSURE: 196400 84.3225 15.2929 -183.922 15.292 -405.211 -216.465 -183.921 -216.464 -102.066 GPRESSURE: 196400 105.787 138.06 -242.925 54.4973 -351.587 -264.099 -78.3523 -134.797 -85.3897 PRESSAVG: 196400 -60.8609 11.8557 -10.6305 11.8557 32.4629 -16.077 -10.6305 -16.0771 -6.62123 GPRESSAVG: 196400 -61.9313 13.3623 -9.57405 12.8178 32.0352 -14.277 -12.184 -16.9269 -4.97879 TIMING: 196400 CPU: 612.634, 0.00317356/step Wall: 612.634, 0.00317356/step, 4.23458 hours remaining, 235.464844 MB of memory in use. ENERGY: 196400 4049.2430 20715.6216 14441.0008 262.4286 -202944.9021 2697.3118 0.0000 0.0000 51756.2977 -109022.9986 297.4442 -160779.2963 -108664.7552 298.5177 -140.9848 -110.3965 764517.2594 -11.6730 -11.6250 PRESSURE: 196600 -197.014 -20.3857 132.594 -20.3862 -27.3268 -17.5742 132.594 -17.5761 -137.872 GPRESSURE: 196600 -143.478 -57.2174 151.905 -79.4644 -24.6182 -49.6932 -15.6005 43.4434 -111.625 PRESSAVG: 196600 -12.3807 -31.0318 -18.1082 -31.0317 10.3266 -39.7979 -18.1082 -39.7978 4.93197 GPRESSAVG: 196600 -10.9079 -30.5472 -18.6132 -32.6878 8.48163 -40.6178 -16.3076 -37.8722 4.95322 TIMING: 196600 CPU: 613.257, 0.0031156/step Wall: 613.257, 0.0031156/step, 4.15707 hours remaining, 235.667969 MB of memory in use. ENERGY: 196600 3993.7734 20494.0906 14449.5032 258.2288 -202867.1417 2665.7775 0.0000 0.0000 52098.5839 -108907.1843 299.4113 -161005.7682 -108545.0606 298.8660 -120.7375 -93.2405 764730.2352 0.9593 0.8423 PRESSURE: 196800 -48.3137 239.823 212.013 239.823 -128.271 41.319 212.012 41.319 -12.6424 GPRESSURE: 196800 -120.204 144.591 234.356 207.126 -34.0888 1.671 178.347 -16.3369 32.0088 PRESSAVG: 196800 -21.4842 19.2501 62.6608 19.2501 37.866 -20.6408 62.6608 -20.6408 2.17288 GPRESSAVG: 196800 -21.2849 18.5252 63.0054 20.6472 39.7804 -19.631 60.9196 -23.5192 0.349642 TIMING: 196800 CPU: 613.882, 0.00312492/step Wall: 613.882, 0.00312492/step, 4.16934 hours remaining, 235.667969 MB of memory in use. ENERGY: 196800 4037.7091 20483.4377 14497.5335 237.0007 -202980.3667 2835.9700 0.0000 0.0000 52119.2957 -108769.4199 299.5303 -160888.7157 -108403.9482 299.3825 -63.0757 -40.7613 763228.9402 6.1849 6.2817 PRESSURE: 197000 -102.629 88.2187 -216.26 88.2186 109.965 74.6344 -216.261 74.6338 -206.334 GPRESSURE: 197000 -80.648 40.5506 -172.522 210.633 175.823 212.291 -102.063 -35.2536 -215.553 PRESSAVG: 197000 -15.3062 -36.3773 21.4022 -36.3773 54.5886 -34.1918 21.4022 -34.1918 -2.22735 GPRESSAVG: 197000 -15.2303 -34.7777 20.6684 -36.8139 53.1414 -32.7413 23.1725 -33.9675 -0.858899 TIMING: 197000 CPU: 614.505, 0.00311317/step Wall: 614.505, 0.00311317/step, 4.15348 hours remaining, 235.667969 MB of memory in use. ENERGY: 197000 4022.7078 20533.7491 14490.2959 243.7193 -203216.9751 2888.6706 0.0000 0.0000 52014.5572 -109023.2752 298.9284 -161037.8324 -108658.3609 299.0522 -66.3326 -40.1257 763410.8753 12.3517 12.3507 PRESSURE: 197200 -366.569 214.106 -112.744 214.106 -521.105 72.3006 -112.744 72.3019 -197.161 GPRESSURE: 197200 -381.468 102.343 -111.737 159.357 -447.696 44.6853 -153.115 188.954 -160.897 PRESSAVG: 197200 16.0373 5.25362 -35.8339 5.25367 -22.2732 35.2276 -35.834 35.2277 6.16796 GPRESSAVG: 197200 15.4376 4.46239 -35.2939 5.82691 -21.3709 33.1263 -36.1162 36.5255 6.04277 TIMING: 197200 CPU: 615.127, 0.00311156/step Wall: 615.127, 0.00311156/step, 4.15117 hours remaining, 235.667969 MB of memory in use. ENERGY: 197200 4052.1531 20450.9659 14478.6146 263.5889 -202544.6226 2558.9919 0.0000 0.0000 51748.1949 -108992.1133 297.3976 -160740.3082 -108627.2406 298.7086 -361.6120 -330.0203 765556.8980 -0.0227 0.0365 PRESSURE: 197400 117.502 44.2249 -92.6344 44.2258 382.074 247.709 -92.6345 247.708 -290.768 GPRESSURE: 197400 158.164 14.5427 -112.389 53.8551 409.926 308.002 -103.457 157.251 -290.803 PRESSAVG: 197400 6.3094 -0.53003 -6.95919 -0.529985 -18.0015 -4.48352 -6.95915 -4.48355 -8.17386 GPRESSAVG: 197400 6.99608 -1.33742 -7.29408 0.281739 -17.8151 -2.12822 -6.76094 -3.14318 -8.51648 TIMING: 197400 CPU: 615.748, 0.00310707/step Wall: 615.748, 0.00310707/step, 4.145 hours remaining, 235.667969 MB of memory in use. ENERGY: 197400 3950.2308 20597.6976 14456.4430 243.4095 -203427.3769 3173.5161 0.0000 0.0000 51772.1758 -109233.9041 297.5354 -161006.0799 -108871.9211 298.1780 69.6027 92.4290 764444.2234 -6.6220 -6.4452 PRESSURE: 197600 337.982 -102.061 -123.843 -102.06 -153.264 -178.368 -123.842 -178.367 180.23 GPRESSURE: 197600 338.393 -84.7407 -120.773 -111.467 -87.3112 -224.3 22.3255 -133.769 204.584 PRESSAVG: 197600 -12.2277 11.6041 -12.8203 11.6041 -48.7827 -21.9473 -12.8203 -21.9473 31.1019 GPRESSAVG: 197600 -11.9462 12.7781 -12.3116 11.4043 -48.6559 -24.4855 -12.7059 -23.1614 30.3581 TIMING: 197600 CPU: 616.366, 0.00308741/step Wall: 616.366, 0.00308741/step, 4.11861 hours remaining, 235.667969 MB of memory in use. ENERGY: 197600 3947.6772 20290.0112 14417.9336 260.0894 -203674.9350 3329.9880 0.0000 0.0000 52159.0630 -109270.1726 299.7589 -161429.2356 -108893.0955 298.3823 121.6493 151.8885 763125.8543 -9.9695 -10.0813 PRESSURE: 197800 208.602 250.577 -63.0401 250.576 435.49 97.3735 -63.041 97.3723 318.596 GPRESSURE: 197800 280.211 135.435 -91.6522 282.461 401.774 17.2168 -47.3271 -26.5986 354.28 PRESSAVG: 197800 7.83069 58.909 13.2004 58.909 7.95515 77.2967 13.2005 77.2967 9.32297 GPRESSAVG: 197800 7.27725 60.4223 13.9498 59.1615 7.44336 77.4914 10.9347 75.3645 10.4266 TIMING: 197800 CPU: 616.987, 0.00310771/step Wall: 616.987, 0.00310771/step, 4.14551 hours remaining, 235.667969 MB of memory in use. ENERGY: 197800 4021.3746 20439.5642 14468.7999 256.0761 -203331.8745 3154.2480 0.0000 0.0000 51926.8727 -109064.9390 298.4245 -160991.8117 -108709.2626 298.4484 320.8959 345.4217 763049.4593 8.3696 8.3824 PRESSURE: 198000 191.856 203.717 -53.6608 203.718 -76.9996 -217.973 -53.6613 -217.972 -168.011 GPRESSURE: 198000 128.922 131.241 -47.9521 40.9875 31.5249 -189.219 -135.184 -59.1692 -98.2833 PRESSAVG: 198000 -6.57549 -35.3909 -20.7913 -35.3909 27.4693 48.8616 -20.7913 48.8617 10.4135 GPRESSAVG: 198000 -5.84609 -38.6171 -22.5365 -34.727 27.5059 49.3291 -18.1673 51.1855 10.5269 TIMING: 198000 CPU: 617.609, 0.00310723/step Wall: 617.609, 0.00310723/step, 4.1447 hours remaining, 235.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 198000 3919.0090 20447.0876 14494.4175 253.9741 -203052.6763 2990.8775 0.0000 0.0000 51683.3113 -109263.9992 297.0247 -160947.3105 -108910.4893 298.3424 -17.7182 20.7213 764163.6907 10.4358 10.7289 PRESSURE: 198200 35.9638 -130.446 -145.088 -130.446 327.99 38.0847 -145.087 38.0856 -87.8766 GPRESSURE: 198200 74.9834 -166.579 -151.595 -219.795 284.796 70.7874 35.4482 116.995 3.80505 PRESSAVG: 198200 -4.29434 -15.6898 18.413 -15.6899 -2.65103 22.2909 18.4131 22.291 8.70087 GPRESSAVG: 198200 -5.49229 -13.8226 18.503 -17.3011 -0.0838275 22.3403 14.9184 22.7037 7.73117 TIMING: 198200 CPU: 618.232, 0.00311834/step Wall: 618.232, 0.00311834/step, 4.15934 hours remaining, 235.667969 MB of memory in use. ENERGY: 198200 3974.6764 20296.8692 14478.5114 243.6499 -203065.4503 2820.4526 0.0000 0.0000 51976.0043 -109275.2866 298.7068 -161251.2908 -108915.4984 298.0976 92.0259 121.1950 764249.3202 0.5852 0.7184 PRESSURE: 198400 316.966 -74.5161 145.425 -74.5174 -347.021 145.353 145.425 145.354 -17.9538 GPRESSURE: 198400 344.311 62.1901 151.108 -34.7409 -264.731 114.991 84.0484 267.856 -41.0575 PRESSAVG: 198400 -22.0295 -65.1524 -33.4247 -65.1524 23.3411 36.6008 -33.4247 36.6009 20.6287 GPRESSAVG: 198400 -20.8856 -66.9361 -34.073 -63.3097 20.856 35.7379 -30.0218 35.168 22.0301 TIMING: 198400 CPU: 618.853, 0.00310483/step Wall: 618.853, 0.00310483/step, 4.14116 hours remaining, 235.667969 MB of memory in use. ENERGY: 198400 4039.8018 20396.6942 14453.7120 261.7548 -202905.4485 2681.5748 0.0000 0.0000 51923.0364 -109148.8746 298.4024 -161071.9110 -108793.6783 298.1174 -16.0027 12.8410 764290.0619 7.3135 7.3335 PRESSURE: 198600 238.722 164.463 214.223 164.461 -7.74046 -216.424 214.223 -216.423 -29.2326 GPRESSURE: 198600 292.498 210.742 117.828 134.394 -9.86772 -159.957 331.609 -215.142 -11.088 PRESSAVG: 198600 0.739459 -14.8431 20.5415 -14.8431 15.7326 -2.68932 20.5415 -2.68936 12.5434 GPRESSAVG: 198600 1.00368 -11.9137 20.912 -15.9931 16.0646 -3.41284 17.8689 0.641113 12.0639 TIMING: 198600 CPU: 619.478, 0.00312161/step Wall: 619.478, 0.00312161/step, 4.16336 hours remaining, 235.667969 MB of memory in use. ENERGY: 198600 3863.1774 20391.2496 14545.9620 252.9464 -202807.0084 2768.5759 0.0000 0.0000 51719.2991 -109265.7980 297.2315 -160985.0971 -108900.4294 298.1412 67.2498 90.5142 765952.6697 9.6718 9.7107 PRESSURE: 198800 120.279 -61.2628 179.879 -61.2624 -62.3612 221.741 179.879 221.741 -357.769 GPRESSURE: 198800 95.3359 -40.7916 239.181 -35.4324 32.9121 250.781 30.3851 -61.211 -349.502 PRESSAVG: 198800 -20.3412 -0.63236 -11.4309 -0.632357 47.3419 -19.7803 -11.4308 -19.7803 5.35619 GPRESSAVG: 198800 -20.323 -2.09109 -10.9148 -0.406562 47.5423 -17.6737 -8.48321 -26.7977 5.65545 TIMING: 198800 CPU: 620.1, 0.00310932/step Wall: 620.1, 0.00310931/step, 4.14679 hours remaining, 235.667969 MB of memory in use. ENERGY: 198800 4023.3230 20588.9174 14479.7299 240.9897 -203305.7866 2857.2484 0.0000 0.0000 51815.8205 -109299.7578 297.7862 -161115.5783 -108943.5684 297.8078 -99.9504 -73.7513 763876.5026 10.7856 10.9583 PRESSURE: 199000 28.0966 131.322 -151.868 131.321 81.3002 32.3753 -151.868 32.3756 59.0753 GPRESSURE: 199000 86.7154 140.387 -206.149 120.156 105.727 1.918 -237.569 99.9525 40.8259 PRESSAVG: 199000 -32.0256 26.8075 10.5669 26.8075 28.2686 64.0888 10.5669 64.0888 -10.4382 GPRESSAVG: 199000 -32.1783 24.5223 10.6412 26.9645 27.7286 62.9375 8.08522 68.3936 -9.85016 TIMING: 199000 CPU: 620.724, 0.00312047/step Wall: 620.724, 0.00312047/step, 4.1615 hours remaining, 235.667969 MB of memory in use. ENERGY: 199000 4097.4729 20179.1081 14514.4389 252.9403 -203194.5534 2774.2180 0.0000 0.0000 52289.6366 -109086.7386 300.5093 -161376.3752 -108706.4143 298.3833 56.1574 77.7561 763692.2075 -4.7317 -4.7666 PRESSURE: 199200 -230.098 -84.5086 -309.398 -84.509 -16.3859 2.92465 -309.399 2.92452 178.752 GPRESSURE: 199200 -198.887 -87.7183 -389.034 -107.89 67.5222 -17.0061 -254.365 15.6206 172.516 PRESSAVG: 199200 16.4325 -73.4727 -10.0251 -73.4727 -7.97045 9.11606 -10.0251 9.11603 -15.6495 GPRESSAVG: 199200 16.8668 -72.705 -11.0237 -74.4162 -8.20276 9.01548 -10.0674 7.94014 -16.015 TIMING: 199200 CPU: 621.347, 0.00311549/step Wall: 621.347, 0.00311549/step, 4.15468 hours remaining, 235.667969 MB of memory in use. ENERGY: 199200 4069.3997 20388.4933 14477.6734 227.9872 -202818.5629 2503.0210 0.0000 0.0000 52050.9211 -109101.0672 299.1374 -161151.9883 -108746.9946 298.7418 -22.5776 13.7171 765226.5578 -2.3958 -2.4503 PRESSURE: 199400 -268.951 -5.59301 -72.8314 -5.59377 -210.877 14.4258 -72.8307 14.4256 -313.387 GPRESSURE: 199400 -356.444 -51.3865 -71.8141 -2.83868 -151.706 -10.3878 -172.104 -24.8667 -206.076 PRESSAVG: 199400 15.6333 -13.4396 31.1218 -13.4396 33.8451 5.65879 31.1218 5.6588 -17.6479 GPRESSAVG: 199400 15.1175 -15.0477 32.2942 -12.0872 34.3495 4.26462 30.0826 6.4486 -17.234 TIMING: 199400 CPU: 621.968, 0.00310803/step Wall: 621.968, 0.00310803/step, 4.14455 hours remaining, 235.667969 MB of memory in use. ENERGY: 199400 4063.8159 20563.5158 14446.9360 248.0060 -202959.1180 2486.1440 0.0000 0.0000 52059.1377 -109091.5627 299.1846 -161150.7004 -108728.0399 298.8009 -264.4049 -238.0752 764471.0794 10.6102 10.7443 PRESSURE: 199600 -152.739 -54.3351 93.2503 -54.3347 137.971 181.84 93.2504 181.839 -272.114 GPRESSURE: 199600 -72.0253 -72.8488 94.8956 43.5487 123.645 209.236 68.1026 70.6138 -253.834 PRESSAVG: 199600 -24.1901 -21.6643 -47.7088 -21.6642 -1.44655 33.0909 -47.7088 33.0908 -1.6368 GPRESSAVG: 199600 -23.7975 -22.2808 -46.4232 -20.4521 -0.815024 33.953 -49.0734 32.3502 -2.04907 TIMING: 199600 CPU: 622.589, 0.00310248/step Wall: 622.589, 0.00310248/step, 4.13699 hours remaining, 235.667969 MB of memory in use. ENERGY: 199600 4049.9634 20443.9874 14469.1712 239.5433 -203581.4306 3148.2036 0.0000 0.0000 51961.1558 -109269.4059 298.6215 -161230.5617 -108907.0107 298.6550 -95.6271 -67.4045 763694.7459 -9.0912 -8.8872 PRESSURE: 199800 195.374 60.0709 -112.276 60.0714 34.9684 247.093 -112.277 247.093 128.854 GPRESSURE: 199800 267.184 73.2248 -97.2941 -7.10397 55.5642 237.816 -10.9682 257.35 108.272 PRESSAVG: 199800 -1.8851 -1.61311 23.4218 -1.61309 57.2042 57.6805 23.4217 57.6804 5.52894 GPRESSAVG: 199800 -1.49782 0.888762 21.5255 -3.87482 56.6429 57.1773 25.4632 57.9672 5.88571 TIMING: 199800 CPU: 623.208, 0.00309609/step Wall: 623.208, 0.00309609/step, 4.12829 hours remaining, 235.667969 MB of memory in use. ENERGY: 199800 3971.9592 20436.3334 14519.4075 241.3103 -203391.4422 3026.1525 0.0000 0.0000 51761.1470 -109435.1322 297.4720 -161196.2792 -109072.2981 298.3028 119.7322 143.6732 762830.4368 20.2827 20.3436 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 200000 WRITING COORDINATES TO RESTART FILE AT STEP 200000 FINISHED WRITING RESTART COORDINATES The last position output (seq=200000) takes 0.014 seconds, 235.668 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 200000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=200000) takes 0.005 seconds, 235.793 MB of memory in use PRESSURE: 200000 119.956 6.43096 -85.8652 6.43012 64.4015 11.0062 -85.865 11.0063 234.428 GPRESSURE: 200000 112.471 -12.1094 -99.757 35.2125 73.8365 35.2697 33.8609 81.2063 319.38 PRESSAVG: 200000 -29.862 -13.5246 -44.1572 -13.5247 2.20338 -12.9159 -44.1572 -12.9159 -0.0199151 GPRESSAVG: 200000 -30.6256 -16.2602 -42.2597 -12.7224 2.0745 -13.2199 -45.089 -10.4959 0.464862 TIMING: 200000 CPU: 623.848, 0.00319996/step Wall: 623.848, 0.00319996/step, 4.26662 hours remaining, 235.796875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 200000 3930.8417 20550.9751 14391.7946 234.2918 -203037.2878 2829.9283 0.0000 0.0000 51704.0612 -109395.3950 297.1440 -161099.4563 -109029.8229 297.9611 139.5955 168.5625 763812.9869 -9.2262 -9.3621 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 200000 PRESSURE: 200200 -154.717 -102.796 -94.785 -102.795 -43.6196 33.6175 -94.7845 33.6177 -53.6178 GPRESSURE: 200200 -98.2202 -205.36 -75.2863 -9.83148 -47.8147 8.13246 -19.6869 21.9927 -16.3221 PRESSAVG: 200200 42.1203 -31.2764 -35.9494 -31.2765 12.1915 11.9653 -35.9493 11.9653 21.2697 GPRESSAVG: 200200 41.7979 -31.1036 -37.0362 -30.8637 12.4996 13.4105 -35.5984 8.83213 21.026 TIMING: 200200 CPU: 624.468, 0.0031012/step Wall: 624.468, 0.0031012/step, 4.13476 hours remaining, 235.796875 MB of memory in use. ENERGY: 200200 3967.6301 20489.8461 14396.2959 252.3158 -203200.9144 2836.9703 0.0000 0.0000 51961.5584 -109296.2978 298.6238 -161257.8562 -108934.6503 297.8893 -83.9849 -54.1190 762271.0875 25.1938 25.1078 LDB: ============= START OF LOAD BALANCING ============== 636.947 LDB: ============== END OF LOAD BALANCING =============== 636.947 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 636.948 LDB: ============= START OF LOAD BALANCING ============== 637.26 LDB: Largest compute 7052 load 0.030337 is 15.6% of average load 0.194719 LDB: Average compute 0.004377 is 2.2% of average load 0.194719 LDB: TIME 637.264 LOAD: AVG 0.194719 MAX 0.215412 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 232.898 MB LDB: TIME 637.264 LOAD: AVG 0.194719 MAX 0.215412 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.902 MB LDB: TIME 637.264 LOAD: AVG 0.194719 MAX 0.215412 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.902 MB LDB: ============== END OF LOAD BALANCING =============== 637.266 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 637.271 PRESSURE: 200400 -39.7307 -236.74 -39.8832 -236.74 -105.287 15.972 -39.8831 15.971 -484.983 GPRESSURE: 200400 -26.1001 -206.852 9.52591 -204.285 34.6002 -13.7984 -57.6604 55.1476 -565.613 PRESSAVG: 200400 -53.5464 -66.1257 30.7724 -66.1258 69.8617 -7.39366 30.7724 -7.39372 6.02894 GPRESSAVG: 200400 -52.9376 -63.4176 30.9701 -66.9985 69.3016 -7.74696 31.137 -4.93002 6.59075 TIMING: 200400 CPU: 625.105, 0.00318419/step Wall: 625.105, 0.00318419/step, 4.24523 hours remaining, 232.261719 MB of memory in use. ENERGY: 200400 4029.0764 20389.9965 14465.4228 249.8376 -203531.8307 3071.1379 0.0000 0.0000 51834.9675 -109491.3919 297.8963 -161326.3595 -109121.2206 298.0332 -210.0002 -185.7044 763014.1827 7.4481 7.6516 PRESSURE: 200600 147.731 -198.979 -296.417 -198.979 -54.4932 3.24367 -296.417 3.24301 31.6565 GPRESSURE: 200600 239.196 -234.957 -228.018 -144.361 -173.922 -50.169 -230.77 145.536 151.843 PRESSAVG: 200600 -19.3876 -62.1083 19.9776 -62.1083 -16.713 39.8117 19.9776 39.8118 4.01992 GPRESSAVG: 200600 -19.0106 -63.3479 19.9936 -60.4504 -15.123 40.6596 19.1472 38.8548 2.93968 TIMING: 200600 CPU: 625.724, 0.0030941/step Wall: 625.724, 0.0030941/step, 4.12496 hours remaining, 232.328125 MB of memory in use. ENERGY: 200600 4018.7414 20585.2953 14400.2953 241.4624 -203102.1231 2979.0360 0.0000 0.0000 51465.7636 -109411.5291 295.7745 -160877.2927 -109059.6812 297.9369 41.6315 72.3726 761400.0088 -10.6936 -10.3980 PRESSURE: 200800 303.256 -156.06 0.0869769 -156.06 207.719 84.7555 0.0865986 84.7545 -2.14288 GPRESSURE: 200800 346.754 -89.5041 73.2885 -131.506 218.257 30.7818 -160.415 198.891 6.57429 PRESSAVG: 200800 18.6954 -34.1187 10.4079 -34.1187 11.8807 5.7645 10.408 5.76447 17.3858 GPRESSAVG: 200800 18.8133 -34.9749 10.5071 -35.0663 11.6233 6.12811 11.1946 5.74856 17.499 TIMING: 200800 CPU: 626.346, 0.00311177/step Wall: 626.346, 0.00311177/step, 4.14833 hours remaining, 232.335938 MB of memory in use. ENERGY: 200800 3942.5831 20682.9875 14466.2792 242.6859 -203650.2595 2841.8769 0.0000 0.0000 52078.9657 -109394.8812 299.2985 -161473.8469 -109034.7800 298.1530 169.6106 190.5287 761054.9032 15.9873 15.9785 PRESSURE: 201000 -248.712 53.4609 92.6318 53.4608 -187.132 98.8052 92.6322 98.8051 -368.955 GPRESSURE: 201000 -269.461 -81.2126 12.0355 52.901 -150.949 95.7412 -16.9687 -1.90416 -318.543 PRESSAVG: 201000 -56.1978 -15.2936 -28.1906 -15.2935 88.6919 33.5927 -28.1905 33.5928 26.0951 GPRESSAVG: 201000 -55.3972 -12.9597 -29.1759 -16.0348 87.8689 34.3788 -29.5713 33.8301 26.2177 TIMING: 201000 CPU: 626.967, 0.00310527/step Wall: 626.967, 0.00310527/step, 4.13949 hours remaining, 232.335938 MB of memory in use. ENERGY: 201000 4064.5276 20529.7902 14514.0737 226.1521 -203628.9439 2923.0627 0.0000 0.0000 51981.7924 -109389.5454 298.7401 -161371.3377 -109023.3566 298.0912 -268.2660 -246.3177 763629.5292 19.5297 19.5632 PRESSURE: 201200 -360.125 -8.32368 -44.0999 -8.324 -165.964 277.599 -44.1002 277.599 -68.3587 GPRESSURE: 201200 -364.811 48.9892 28.0022 -137.232 -119.535 221.805 -81.3342 331.051 -44.7395 PRESSAVG: 201200 -10.3383 -47.9346 11.8865 -47.9347 -1.67443 66.2608 11.8865 66.2607 8.97956 GPRESSAVG: 201200 -10.7293 -49.613 13.5454 -47.3646 -1.60122 65.3331 12.5957 64.7042 8.78626 TIMING: 201200 CPU: 627.585, 0.0030887/step Wall: 627.585, 0.00308869/step, 4.11723 hours remaining, 232.335938 MB of memory in use. ENERGY: 201200 4018.6616 20673.1228 14472.4387 256.3260 -203711.1687 3128.4658 0.0000 0.0000 51888.7261 -109273.4277 298.2052 -161162.1538 -108908.4618 297.9795 -198.1492 -176.3618 764403.3881 -1.0111 -1.1814 PRESSURE: 201400 -60.8585 111.391 -111.495 111.39 -361.898 -129.956 -111.495 -129.955 182.66 GPRESSURE: 201400 -43.8843 27.428 -81.9353 4.38408 -386.027 -109.147 19.3977 -114.88 257.762 PRESSAVG: 201400 -33.7148 -75.6078 13.1933 -75.6078 17.7333 11.663 13.1933 11.663 22.0168 GPRESSAVG: 201400 -33.5165 -75.514 13.2264 -74.5234 18.2466 12.1813 12.5656 12.6109 21.4831 TIMING: 201400 CPU: 628.204, 0.00309232/step Wall: 628.204, 0.00309232/step, 4.12188 hours remaining, 232.335938 MB of memory in use. ENERGY: 201400 3945.1873 20562.6276 14508.9669 260.7443 -203351.3872 2850.8294 0.0000 0.0000 51909.7686 -109313.2630 298.3262 -161223.0317 -108942.4549 298.2710 -80.0322 -57.3830 765296.0166 2.0118 2.0711 PRESSURE: 201600 -161.45 84.6434 4.97649 84.6437 -198.231 62.9191 4.97606 62.9192 -180.822 GPRESSURE: 201600 -177.794 77.236 41.694 92.6576 -210.673 62.3744 68.9027 42.5989 -82.9382 PRESSAVG: 201600 13.0616 -31.8615 6.25733 -31.8615 -15.9512 32.5912 6.25728 32.5912 -6.79016 GPRESSAVG: 201600 12.9438 -32.6684 6.99152 -31.7847 -16.047 31.5878 6.2333 33.3487 -6.62706 TIMING: 201600 CPU: 628.821, 0.00308873/step Wall: 628.821, 0.00308873/step, 4.11694 hours remaining, 232.335938 MB of memory in use. ENERGY: 201600 3964.5518 20404.3483 14497.6371 241.1426 -203303.3126 2832.5470 0.0000 0.0000 52107.0953 -109255.9904 299.4602 -161363.0857 -108880.9472 298.2460 -180.1675 -157.1351 766384.7896 -3.2266 -3.2434 PRESSURE: 201800 -35.5715 29.9548 152.611 29.9554 179.869 133.011 152.612 133.011 -3.2697 GPRESSURE: 201800 -41.8437 -24.4392 174.132 51.9199 225.746 189.388 178.008 9.33523 35.569 PRESSAVG: 201800 -53.5159 -36.9654 -29.1118 -36.9653 39.9804 65.155 -29.1118 65.155 15.189 GPRESSAVG: 201800 -52.5367 -35.9376 -30.0796 -38.9333 38.9437 64.8901 -29.5921 65.606 15.2275 TIMING: 201800 CPU: 629.441, 0.00309752/step Wall: 629.441, 0.00309753/step, 4.12849 hours remaining, 232.335938 MB of memory in use. ENERGY: 201800 4032.1113 20573.3983 14521.1714 233.3171 -203842.0424 3267.8753 0.0000 0.0000 52064.6637 -109149.5053 299.2163 -161214.1690 -108794.3173 298.7463 47.0094 73.1570 765489.1936 0.5512 0.5448 PRESSURE: 202000 75.3534 -35.1759 61.6378 -35.1752 -261.4 -113.712 61.6383 -113.712 -17.0687 GPRESSURE: 202000 30.0096 -105.659 141.738 16.9534 -186.884 -43.4821 -8.77595 -215.635 32.9657 PRESSAVG: 202000 -36.0902 -33.8999 -41.5461 -33.8999 -1.2472 32.4061 -41.5461 32.4061 -6.68717 GPRESSAVG: 202000 -39.7721 -36.2511 -42.8267 -31.8582 1.59299 34.2214 -39.6246 31.0004 -6.18154 TIMING: 202000 CPU: 630.061, 0.00310274/step Wall: 630.061, 0.00310274/step, 4.13526 hours remaining, 232.335938 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: 202000 3952.0245 20649.8327 14464.8286 241.7475 -203293.7689 2841.9200 0.0000 0.0000 51944.3197 -109199.0959 298.5247 -161143.4155 -108841.9033 298.6665 -67.7050 -41.3030 763717.9205 -14.6748 -14.7869 PRESSURE: 202200 36.9934 224.921 -296.65 224.921 276.096 -88.5933 -296.65 -88.594 81.9431 GPRESSURE: 202200 180.952 150.949 -328.649 265.005 190.659 -112.008 -164.063 13.897 90.8016 PRESSAVG: 202200 1.51971 -28.1192 -41.2045 -28.1193 19.2969 -4.71303 -41.2045 -4.713 9.40989 GPRESSAVG: 202200 3.34628 -26.4431 -39.4964 -29.5151 17.7598 -7.0986 -42.051 -3.86313 9.1708 TIMING: 202200 CPU: 630.683, 0.00311048/step Wall: 630.683, 0.00311048/step, 4.14541 hours remaining, 232.335938 MB of memory in use. ENERGY: 202200 4042.0642 20423.2987 14467.5585 254.0921 -203656.4617 3256.4502 0.0000 0.0000 51962.3537 -109250.6443 298.6284 -161212.9980 -108883.6979 298.7630 131.6774 154.1375 764398.6148 10.0755 10.0923 PRESSURE: 202400 -258.606 93.3136 146.34 93.3142 -61.3837 -80.2221 146.34 -80.2223 187.849 GPRESSURE: 202400 -221.852 124.517 76.2397 52.4028 13.7293 -57.1809 181.036 -2.64561 165.695 PRESSAVG: 202400 13.8942 -3.00354 35.9282 -3.00353 -3.54187 -1.31452 35.9282 -1.31455 20.4928 GPRESSAVG: 202400 14.1687 -3.96688 36.1907 -2.95282 -3.74551 -0.818846 34.8979 -1.51053 20.4281 TIMING: 202400 CPU: 631.307, 0.00311642/step Wall: 631.307, 0.00311642/step, 4.15315 hours remaining, 232.335938 MB of memory in use. ENERGY: 202400 3990.6028 20449.0970 14516.3399 277.8785 -203438.1461 3065.6313 0.0000 0.0000 52033.3203 -109105.2763 299.0362 -161138.5966 -108740.5143 298.5313 -44.0469 -14.1426 764526.8410 10.2817 10.2838 PRESSURE: 202600 -132.986 -233.548 -199.117 -233.548 -207.08 83.8401 -199.117 83.8412 -194.509 GPRESSURE: 202600 -128.107 -262.881 -174.372 -162.008 -62.8275 112.201 -181.269 -20.588 -250.968 PRESSAVG: 202600 10.5789 -19.9374 31.535 -19.9375 -38.2682 2.73188 31.535 2.7318 -1.79757 GPRESSAVG: 202600 11.2243 -17.585 30.2496 -19.3741 -38.0859 2.55709 30.6788 3.01905 -2.75566 TIMING: 202600 CPU: 631.931, 0.00311917/step Wall: 631.931, 0.00311917/step, 4.15664 hours remaining, 232.335938 MB of memory in use. ENERGY: 202600 3987.6718 20502.3673 14464.4243 221.0714 -203404.1318 2964.0852 0.0000 0.0000 52085.5931 -109178.9187 299.3366 -161264.5118 -108827.2618 298.8081 -178.1919 -147.3008 764296.8507 -9.8290 -9.8724 PRESSURE: 202800 4.72472 -61.3082 10.969 -61.308 -135.385 236.174 10.9688 236.175 263.655 GPRESSURE: 202800 28.5406 -22.7046 19.7326 -134.327 -129.052 209.025 63.6649 184.194 314.378 PRESSAVG: 202800 67.0962 2.04462 -37.4071 2.04461 -73.4164 10.2435 -37.4071 10.2435 -8.6707 GPRESSAVG: 202800 67.1513 1.60514 -36.2551 0.739923 -73.2852 9.6752 -35.2313 10.4054 -8.81128 TIMING: 202800 CPU: 632.557, 0.00313341/step Wall: 632.557, 0.00313341/step, 4.17545 hours remaining, 232.335938 MB of memory in use. ENERGY: 202800 4013.2903 20545.3111 14492.0283 234.4221 -202981.4044 2776.8513 0.0000 0.0000 51933.2108 -108986.2905 298.4609 -160919.5013 -108628.5848 299.1516 44.3314 71.2888 764360.0134 -4.9970 -4.9817 PRESSURE: 203000 -66.2992 -18.8233 98.2759 -18.8221 -17.4658 16.3997 98.2762 16.4008 44.9597 GPRESSURE: 203000 -86.6069 4.84953 68.1349 -0.856004 62.9058 175.322 165.185 -52.7238 85.9176 PRESSAVG: 203000 98.5296 -25.0614 -3.22326 -25.0614 -28.2176 -21.2656 -3.22323 -21.2655 20.9163 GPRESSAVG: 203000 97.4128 -24.7371 -3.7647 -24.1584 -28.8002 -18.663 -2.37333 -22.6071 22.9981 TIMING: 203000 CPU: 633.176, 0.00309599/step Wall: 633.176, 0.00309599/step, 4.12541 hours remaining, 232.335938 MB of memory in use. ENERGY: 203000 4013.4249 20666.1601 14530.5537 232.3050 -203216.8888 2738.5206 0.0000 0.0000 51987.6824 -109048.2420 298.7739 -161035.9244 -108691.8187 298.8526 -12.9351 20.7388 764474.2038 30.4094 30.5369 PRESSURE: 203200 -245.703 223.5 -66.4335 223.5 -176.781 -215.889 -66.4324 -215.89 -278.903 GPRESSURE: 203200 -222.464 133.005 11.5421 43.0554 -202.038 -300.154 24.4961 -191.874 -193.755 PRESSAVG: 203200 13.9063 -12.1353 41.1993 -12.1354 -13.7561 -29.3963 41.1993 -29.3963 8.5121 GPRESSAVG: 203200 14.6834 -14.124 41.5745 -12.3269 -13.4061 -30.3009 40.4455 -27.5147 7.18848 TIMING: 203200 CPU: 633.797, 0.00310008/step Wall: 633.797, 0.00310008/step, 4.13068 hours remaining, 232.335938 MB of memory in use. ENERGY: 203200 4026.7291 20587.7215 14444.5108 245.0328 -203135.7858 2919.4358 0.0000 0.0000 52001.2437 -108911.1122 298.8519 -160912.3558 -108560.7562 299.1516 -233.7955 -206.0857 763786.3345 2.8874 2.8219 PRESSURE: 203400 170.12 184.559 -80.6342 184.559 91.4474 -90.0817 -80.6341 -90.0821 366.72 GPRESSURE: 203400 141.937 164.921 -55.8236 250.197 169.272 -116.188 -81.088 -107.916 367.948 PRESSAVG: 203400 -24.252 35.8443 8.22046 35.8443 19.063 -18.2784 8.22044 -18.2784 5.12964 GPRESSAVG: 203400 -23.8256 35.4954 7.36386 38.3017 19.142 -18.0488 6.41496 -19.6804 4.68138 TIMING: 203400 CPU: 634.417, 0.00310176/step Wall: 634.417, 0.00310176/step, 4.13275 hours remaining, 232.335938 MB of memory in use. ENERGY: 203400 3962.6866 20652.0280 14502.6334 264.5833 -203165.2015 3094.9644 0.0000 0.0000 52024.6705 -108663.6353 298.9865 -160688.3058 -108298.4267 299.3953 209.4292 226.3857 763889.4091 -0.0198 -0.0007 PRESSURE: 203600 -85.6207 -95.9904 127.834 -95.9915 -52.0869 115.811 127.833 115.811 203.647 GPRESSURE: 203600 20.6837 -90.1861 228.986 -55.8609 -77.6755 158.474 135.589 242.416 193.162 PRESSAVG: 203600 40.4588 -19.4087 -4.9243 -19.4086 -26.1081 19.3978 -4.92434 19.3978 -1.66109 GPRESSAVG: 203600 39.9074 -18.0793 -4.79671 -20.9565 -25.9257 18.9007 -3.08238 20.9235 -1.57177 TIMING: 203600 CPU: 635.046, 0.00314462/step Wall: 635.046, 0.00314462/step, 4.18968 hours remaining, 232.335938 MB of memory in use. ENERGY: 203600 4001.7638 20563.4851 14543.6913 248.7617 -202907.0493 2870.7768 0.0000 0.0000 52035.4056 -108643.1651 299.0482 -160678.5707 -108289.7873 299.7892 21.9799 45.3900 763469.0857 4.2299 4.1367 PRESSURE: 203800 180.488 -8.29052 -109.628 -8.2907 78.8309 -238.336 -109.627 -238.337 107.82 GPRESSURE: 203800 172.501 63.7798 -21.0042 -13.6893 125.755 -186.32 -132.249 -227.421 153.136 PRESSAVG: 203800 58.6359 54.1903 17.8377 54.1903 -15.677 21.0049 17.8377 21.0049 -2.36781 GPRESSAVG: 203800 59.1028 54.7841 18.6007 52.846 -16.6304 20.4485 15.8362 21.1308 -1.67819 TIMING: 203800 CPU: 635.672, 0.00312935/step Wall: 635.672, 0.00312935/step, 4.16916 hours remaining, 232.335938 MB of memory in use. ENERGY: 203800 3983.4311 20708.1925 14540.1416 232.2524 -203245.8781 3278.2712 0.0000 0.0000 52046.1547 -108457.4347 299.1100 -160503.5894 -108106.7273 299.6748 122.3797 150.4638 762459.0331 13.5304 13.5981 PRESSURE: 204000 7.09659 -94.4302 -58.4238 -94.4309 -137.372 -173.345 -58.424 -173.345 -192.048 GPRESSURE: 204000 12.2568 -169.054 -8.21624 50.2104 -141.955 -205.668 9.44011 -40.37 -113.683 PRESSAVG: 204000 -39.3504 -12.2014 -24.0837 -12.2013 65.0957 -35.2366 -24.0837 -35.2366 -19.2575 GPRESSAVG: 204000 -39.5189 -13.337 -25.6016 -10.5357 65.9212 -37.3248 -21.9252 -33.6423 -19.6128 TIMING: 204000 CPU: 636.293, 0.00310703/step Wall: 636.293, 0.00310703/step, 4.13926 hours remaining, 232.335938 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: 204000 4019.2309 20534.0277 14553.5041 242.5344 -202767.9395 2671.4537 0.0000 0.0000 52425.3940 -108321.7948 301.2895 -160747.1888 -107956.0219 300.4712 -107.4412 -81.1273 763544.1019 2.1626 2.2631 PRESSURE: 204200 -201.191 -3.8818 -211.255 -3.88154 -32.1761 -45.7827 -211.254 -45.7834 -85.0261 GPRESSURE: 204200 -99.0597 -16.3055 -217.311 -22.4877 -42.7226 -52.0998 -52.4778 -55.1984 -86.38 PRESSAVG: 204200 -18.2124 14.9385 -41.0563 14.9385 10.8105 19.7645 -41.0563 19.7645 6.43667 GPRESSAVG: 204200 -16.3231 13.9619 -40.2634 13.9393 9.5934 21.9728 -42.2915 16.2173 5.85586 TIMING: 204200 CPU: 636.917, 0.00312116/step Wall: 636.917, 0.00312116/step, 4.15791 hours remaining, 232.335938 MB of memory in use. ENERGY: 204200 4005.7508 20681.2751 14476.9947 258.7713 -203207.4477 3093.5670 0.0000 0.0000 51923.8528 -108767.2360 298.4071 -160691.0888 -108400.3529 300.4466 -106.1310 -76.0541 764129.0676 -0.3217 -0.2913 LDB: ============= START OF LOAD BALANCING ============== 649.394 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 649.394 LDB: =============== DONE WITH MIGRATION ================ 649.396 LDB: ============= START OF LOAD BALANCING ============== 649.707 LDB: Largest compute 6997 load 0.030015 is 15.4% of average load 0.194683 LDB: Average compute 0.004384 is 2.3% of average load 0.194683 LDB: TIME 649.711 LOAD: AVG 0.194683 MAX 0.217815 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.871 MB LDB: TIME 649.711 LOAD: AVG 0.194683 MAX 0.217815 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.871 MB LDB: TIME 649.711 LOAD: AVG 0.194683 MAX 0.216503 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.871 MB LDB: ============== END OF LOAD BALANCING =============== 649.713 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 649.718 PRESSURE: 204400 -205.906 55.2591 1.6998 55.2591 245.278 48.0213 1.69975 48.0212 -231.699 GPRESSURE: 204400 -199.599 72.1004 56.4707 115.5 276.375 -7.22014 67.0015 -72.4839 -162.058 PRESSAVG: 204400 22.3485 36.0507 1.56366 36.0507 -16.6869 -9.39554 1.56366 -9.39556 6.31023 GPRESSAVG: 204400 21.5593 37.6678 1.79668 37.5188 -15.9464 -9.32871 1.50602 -8.19664 6.74472 TIMING: 204400 CPU: 637.552, 0.00317372/step Wall: 637.552, 0.00317372/step, 4.22775 hours remaining, 232.847656 MB of memory in use. ENERGY: 204400 3956.1997 20500.6909 14483.5633 266.5250 -203248.1110 3241.2259 0.0000 0.0000 52114.0417 -108685.8645 299.5001 -160799.9062 -108327.2826 299.5081 -64.1093 -28.4274 764210.2298 3.9906 4.1192 PRESSURE: 204600 19.9716 -58.2522 -25.5417 -58.252 63.1294 35.1674 -25.5418 35.1668 -267.851 GPRESSURE: 204600 141.211 -130.668 44.1048 -29.9203 51.6216 78.1638 -24.8439 -42.8718 -298.588 PRESSAVG: 204600 -32.1656 -7.75211 9.53734 -7.75208 -4.81286 -2.61215 9.53727 -2.61221 15.0844 GPRESSAVG: 204600 -31.9992 -8.05497 8.48453 -10.1504 -4.82245 -2.33919 9.45319 -2.19154 15.0015 TIMING: 204600 CPU: 638.178, 0.00313231/step Wall: 638.178, 0.00313231/step, 4.17241 hours remaining, 232.906250 MB of memory in use. ENERGY: 204600 4119.1359 20400.7738 14548.4657 245.8111 -202963.1376 2840.1975 0.0000 0.0000 52056.0032 -108752.7505 299.1666 -160808.7537 -108403.6839 299.2019 -61.5833 -35.2520 765151.2470 -7.2980 -7.2734 PRESSURE: 204800 -171.951 67.9711 -169.897 67.9708 -40.7449 250.199 -169.897 250.199 -749.07 GPRESSURE: 204800 -117.892 197.182 -154.758 -0.99772 -43.0831 279.302 -45.865 322.084 -723.36 PRESSAVG: 204800 -2.08096 42.1204 9.53444 42.1204 -3.66104 -14.4946 9.53444 -14.4945 5.06271 GPRESSAVG: 204800 -2.01393 42.4833 10.8781 42.2848 -4.3413 -15.9497 10.2477 -14.8373 5.48461 TIMING: 204800 CPU: 638.804, 0.0031291/step Wall: 638.804, 0.0031291/step, 4.16796 hours remaining, 232.906250 MB of memory in use. ENERGY: 204800 4074.0582 20662.6912 14566.9696 248.5423 -202847.3166 2630.9093 0.0000 0.0000 51951.2203 -108712.9258 298.5644 -160664.1462 -108348.1956 299.1989 -320.5885 -294.7783 764793.7441 -0.2264 -0.2902 PRESSURE: 205000 27.5994 26.163 75.9964 26.1641 -135.107 -108.561 75.9961 -108.563 227.012 GPRESSURE: 205000 80.0738 83.1306 15.5763 -124.002 -26.9891 -82.5205 62.7987 -162.966 148.663 PRESSAVG: 205000 4.98533 -30.1114 -29.3867 -30.1115 19.4253 -0.525793 -29.3868 -0.525811 4.22145 GPRESSAVG: 205000 5.45176 -30.3381 -31.9233 -28.855 20.0961 -0.635389 -29.7198 -0.180309 3.49548 TIMING: 205000 CPU: 639.43, 0.0031282/step Wall: 639.43, 0.0031282/step, 4.16659 hours remaining, 232.906250 MB of memory in use. ENERGY: 205000 4005.5802 20524.1584 14515.8876 237.1164 -203565.6026 3262.9625 0.0000 0.0000 52208.9601 -108810.9374 300.0456 -161019.8975 -108442.6370 299.6772 39.8349 67.2493 763803.4438 9.5440 9.6811 PRESSURE: 205200 -485.314 -164.141 65.7744 -164.142 -29.2163 91.6806 65.7739 91.6797 -107.372 GPRESSURE: 205200 -479.864 -119.787 122.379 -142.951 -57.3593 171.158 41.2491 63.0409 -19.6015 PRESSAVG: 205200 -21.922 4.60223 18.6118 4.6022 33.1341 -12.9591 18.6118 -12.9591 -28.3946 GPRESSAVG: 205200 -22.5973 4.82769 20.1847 5.32378 33.6181 -11.9965 17.2382 -12.6153 -28.2747 TIMING: 205200 CPU: 640.054, 0.00311868/step Wall: 640.054, 0.00311867/step, 4.15373 hours remaining, 232.937500 MB of memory in use. ENERGY: 205200 4099.6207 20597.0446 14524.6975 244.2508 -202858.3857 2810.1220 0.0000 0.0000 51827.4804 -108755.1697 297.8532 -160582.6501 -108394.8706 299.3387 -207.3009 -185.6083 765792.5496 -5.7275 -5.7513 PRESSURE: 205400 -185.079 -173.461 -122.449 -173.459 -151.193 41.424 -122.449 41.4242 313.576 GPRESSURE: 205400 -183.834 -269.276 -48.4611 -82.0805 -94.711 -0.609125 -196.594 -116.744 324.865 PRESSAVG: 205400 -10.803 -18.8609 13.8114 -18.861 3.18373 -23.177 13.8114 -23.177 4.79455 GPRESSAVG: 205400 -11.3236 -20.7109 12.812 -19.8568 3.90617 -25.3706 14.4466 -21.3673 4.2196 TIMING: 205400 CPU: 640.674, 0.00310237/step Wall: 640.674, 0.00310237/step, 4.13184 hours remaining, 232.937500 MB of memory in use. ENERGY: 205400 4001.6639 20562.6751 14495.2014 246.1340 -203220.7684 3060.6544 0.0000 0.0000 52117.2114 -108737.2283 299.5183 -160854.4397 -108376.6955 298.6525 -7.5655 15.4401 766345.1652 -0.9416 -1.0659 PRESSURE: 205600 26.1888 100.26 -113.566 100.261 -327.285 121.583 -113.566 121.582 -40.2363 GPRESSURE: 205600 -23.2653 76.2998 -71.8574 149.112 -237.43 148.946 -79.4527 145.378 5.8058 PRESSAVG: 205600 -39.0944 13.3325 -4.24462 13.3325 0.435321 -17.4896 -4.24458 -17.4896 20.5853 GPRESSAVG: 205600 -38.7248 14.2643 -3.15049 12.4153 -1.0418 -16.4153 -3.93897 -21.1895 21.8655 TIMING: 205600 CPU: 641.293, 0.00309422/step Wall: 641.293, 0.00309422/step, 4.12082 hours remaining, 232.937500 MB of memory in use. ENERGY: 205600 4074.5216 20609.0170 14532.3506 264.1626 -203222.8646 2862.5388 0.0000 0.0000 52189.4807 -108690.7933 299.9337 -160880.2740 -108336.8267 299.3633 -113.7776 -84.9632 766238.7169 -6.0246 -5.9670 PRESSURE: 205800 -93.5015 -164.507 152.447 -164.506 -121.029 27.4325 152.446 27.4339 -167.884 GPRESSURE: 205800 -61.0443 -126.08 223.768 -90.4442 -177.383 -56.1786 6.63912 282.136 -72.7487 PRESSAVG: 205800 -40.8075 -21.363 40.2477 -21.363 70.0948 25.2636 40.2477 25.2637 9.47272 GPRESSAVG: 205800 -41.7808 -22.0596 39.3917 -20.1604 70.5705 25.9321 38.3723 27.5364 9.93695 TIMING: 205800 CPU: 641.913, 0.00309897/step Wall: 641.913, 0.00309897/step, 4.12696 hours remaining, 232.937500 MB of memory in use. ENERGY: 205800 4011.2855 20595.2827 14547.1805 252.6804 -203294.7151 2843.5124 0.0000 0.0000 52537.0865 -108507.6871 301.9314 -161044.7736 -108142.2126 299.6802 -127.4716 -103.7254 765832.9085 12.9200 12.9089 PRESSURE: 206000 -240.829 -71.1202 157.28 -71.1201 98.723 -258.391 157.279 -258.391 -355.958 GPRESSURE: 206000 -211.738 -127.029 78.7058 -66.0405 116.298 -270.948 139.319 -318.582 -340.8 PRESSAVG: 206000 -29.3003 -23.7584 -20.2337 -23.7585 0.818202 6.92553 -20.2337 6.92558 -0.730384 GPRESSAVG: 206000 -27.8204 -22.8481 -18.5509 -24.3467 0.375417 8.04628 -19.2652 6.80916 -1.73019 TIMING: 206000 CPU: 642.534, 0.00310665/step Wall: 642.534, 0.00310665/step, 4.13702 hours remaining, 232.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 206000 4043.4236 20513.2050 14586.7553 270.3346 -202812.0401 2851.1691 0.0000 0.0000 51876.9252 -108670.2272 298.1374 -160547.1524 -108306.7358 299.5031 -166.0213 -145.4130 766463.6756 -9.7375 -9.7251 PRESSURE: 206200 91.3029 28.6147 33.4427 28.615 152.351 42.6725 33.443 42.6719 303.132 GPRESSURE: 206200 130.192 56.1292 74.162 127.222 138.868 -13.2937 -88.5563 52.6118 351.959 PRESSAVG: 206200 -61.7876 -10.1744 -23.8413 -10.1745 89.1167 7.4433 -23.8413 7.44334 -4.64166 GPRESSAVG: 206200 -63.3357 -8.88685 -24.9561 -8.52164 90.6898 7.80919 -23.9684 4.61616 -4.74453 TIMING: 206200 CPU: 643.158, 0.00312045/step Wall: 643.158, 0.00312046/step, 4.15523 hours remaining, 232.937500 MB of memory in use. ENERGY: 206200 3954.1255 20549.9593 14453.0652 243.4957 -203339.5362 3240.9657 0.0000 0.0000 52203.6183 -108694.3064 300.0149 -160897.9247 -108332.5170 299.4179 182.2620 207.0065 764805.0471 7.5625 7.5365 PRESSURE: 206400 126.194 -134.548 -152.022 -134.549 -1.63943 17.4964 -152.022 17.496 189.802 GPRESSURE: 206400 133.232 -67.6541 -222.51 -119.157 -29.5098 -58.7506 -31.6354 -100.017 298.11 PRESSAVG: 206400 -3.42928 -1.18976 -14.1952 -1.18983 -0.703979 -8.38805 -14.1951 -8.3881 28.6145 GPRESSAVG: 206400 -2.14479 -4.16084 -17.0429 -1.78227 -3.6364 -11.6532 -11.8813 -6.58944 30.3632 TIMING: 206400 CPU: 643.782, 0.00311743/step Wall: 643.782, 0.00311743/step, 4.15103 hours remaining, 232.937500 MB of memory in use. ENERGY: 206400 4013.2729 20646.8668 14512.2756 250.5876 -203002.5980 2907.0419 0.0000 0.0000 52013.5486 -108659.0046 298.9226 -160672.5533 -108292.1864 299.5254 104.7854 133.9441 765793.8778 8.1604 8.1940 PRESSURE: 206600 255.28 -92.7073 -7.77722 -92.7084 100.609 110.244 -7.77748 110.244 -192.949 GPRESSURE: 206600 276.279 -39.4913 -126.692 -114.614 155.352 124.007 34.3064 19.3614 -180.741 PRESSAVG: 206600 -31.9301 -20.5356 8.77558 -20.5356 -1.111 56.1685 8.77549 56.1684 4.49816 GPRESSAVG: 206600 -31.8525 -19.9773 10.4749 -20.2303 1.31052 57.6451 9.38383 56.7957 2.37333 TIMING: 206600 CPU: 644.407, 0.00312542/step Wall: 644.407, 0.00312542/step, 4.1615 hours remaining, 232.937500 MB of memory in use. ENERGY: 206600 4006.7152 20547.2306 14645.8621 237.9905 -203057.7364 2923.7170 0.0000 0.0000 52046.8505 -108649.3704 299.1140 -160696.2209 -108286.2202 299.7026 54.3133 83.6302 765035.1326 -9.5143 -9.3895 PRESSURE: 206800 239.304 -190.24 -170.592 -190.24 257.113 -222.088 -170.591 -222.088 321.726 GPRESSURE: 206800 258.581 -244.195 -118.229 -199.537 300.444 -164.694 -142.001 -192.641 334.369 PRESSAVG: 206800 -54.1213 -10.7997 -28.8414 -10.7997 54.5768 -29.6864 -28.8414 -29.6864 -0.9708 GPRESSAVG: 206800 -54.322 -9.63702 -29.3037 -10.3932 54.2388 -28.2543 -29.9919 -30.362 -0.599847 TIMING: 206800 CPU: 645.031, 0.00311958/step Wall: 645.031, 0.00311958/step, 4.15355 hours remaining, 232.937500 MB of memory in use. ENERGY: 206800 3986.1655 20654.8269 14593.4648 242.2811 -202938.2551 2782.4379 0.0000 0.0000 52242.1856 -108436.8933 300.2366 -160679.0790 -108077.4718 299.9471 272.7144 297.7978 764965.4624 -0.1717 -0.2277 PRESSURE: 207000 -185.974 25.4879 -93.2903 25.489 -34.256 203.017 -93.2903 203.017 -55.8376 GPRESSURE: 207000 -186.946 -38.8906 -164.716 148.391 -0.721619 167.678 -66.0816 147.37 -7.5749 PRESSAVG: 207000 -5.52517 -30.6968 -56.3647 -30.6968 48.4838 -41.4159 -56.3647 -41.4159 -29.0085 GPRESSAVG: 207000 -5.43556 -32.2819 -53.2843 -30.2359 48.4572 -43.2481 -58.1916 -43.0408 -28.9437 TIMING: 207000 CPU: 645.654, 0.00311684/step Wall: 645.654, 0.00311684/step, 4.14972 hours remaining, 232.937500 MB of memory in use. ENERGY: 207000 4032.3442 20646.2374 14583.9942 251.7134 -202980.6582 2806.0313 0.0000 0.0000 52115.1387 -108545.1989 299.5064 -160660.3376 -108176.4013 299.8623 -92.0226 -65.0807 764936.5201 4.6500 4.6926 PRESSURE: 207200 -185.34 -50.9314 134.905 -50.9314 66.7676 -91.2678 134.906 -91.267 328.634 GPRESSURE: 207200 -174.56 88.6769 91.6856 -36.5327 51.3748 -91.7836 72.575 -68.8973 392.825 PRESSAVG: 207200 -58.5748 0.887831 -47.297 0.887847 49.2162 15.434 -47.297 15.4341 -5.38455 GPRESSAVG: 207200 -58.8919 3.38425 -50.0064 -0.835852 49.3483 15.7771 -45.9232 15.3263 -5.40776 TIMING: 207200 CPU: 646.278, 0.00312113/step Wall: 646.278, 0.00312113/step, 4.15526 hours remaining, 232.937500 MB of memory in use. ENERGY: 207200 3942.4533 20635.0771 14582.2677 258.5775 -202863.1044 2918.4937 0.0000 0.0000 52003.7860 -108522.4491 298.8665 -160526.2350 -108169.0452 299.7528 70.0205 89.8798 766872.9025 -4.9144 -4.9838 PRESSURE: 207400 43.2509 -39.7578 -56.6073 -39.7585 165.88 50.7822 -56.6067 50.7816 446.755 GPRESSURE: 207400 57.4866 -35.9277 -41.7355 -41.0468 267.891 115.39 28.6746 -28.4392 426.713 PRESSAVG: 207400 -66.0386 -14.4524 -6.34567 -14.4524 58.348 -33.159 -6.34565 -33.1591 -6.9874 GPRESSAVG: 207400 -66.171 -14.6872 -5.42757 -14.2303 59.0979 -33.6435 -7.56868 -29.3082 -6.91978 TIMING: 207400 CPU: 646.906, 0.00313854/step Wall: 646.906, 0.00313854/step, 4.17827 hours remaining, 232.937500 MB of memory in use. ENERGY: 207400 3984.6813 20471.3207 14560.7382 266.5064 -203262.4001 2995.2735 0.0000 0.0000 52197.2611 -108786.6187 299.9784 -160983.8799 -108429.8354 299.2125 218.6288 250.6969 762604.5943 -4.8927 -4.6643 PRESSURE: 207600 93.2669 -101.468 -162.433 -101.469 129.129 -96.0018 -162.434 -96.0004 -180.167 GPRESSURE: 207600 94.3194 -128.966 -112.171 -42.8492 141.697 -49.3624 -118.164 -265.295 -101.911 PRESSAVG: 207600 -13.0047 0.677997 -34.9926 0.67801 69.1706 2.6569 -34.9926 2.65689 0.774246 GPRESSAVG: 207600 -12.5777 -0.297505 -34.8856 1.78177 68.4771 4.5615 -33.7125 0.571495 1.59096 TIMING: 207600 CPU: 647.527, 0.00310726/step Wall: 647.527, 0.00310726/step, 4.13645 hours remaining, 232.937500 MB of memory in use. ENERGY: 207600 3933.0062 20550.1056 14543.3253 240.4901 -203454.1645 3072.2941 0.0000 0.0000 52151.4082 -108963.5350 299.7149 -161114.9432 -108590.8768 299.3625 14.0763 44.7015 763438.3025 18.9801 19.1635 PRESSURE: 207800 132.375 -45.4466 -121.612 -45.446 87.3293 -19.778 -121.612 -19.7777 305.175 GPRESSURE: 207800 188.229 -85.7442 -178.498 -139.142 88.1161 38.3917 -30.613 -48.955 352.847 PRESSAVG: 207800 -18.6807 -20.6222 41.166 -20.6221 11.1362 -17.7885 41.166 -17.7884 6.20907 GPRESSAVG: 207800 -18.3881 -22.845 40.7454 -22.7478 11.0204 -20.6147 42.5177 -16.0249 5.74517 TIMING: 207800 CPU: 648.148, 0.00310035/step Wall: 648.148, 0.00310035/step, 4.12708 hours remaining, 232.937500 MB of memory in use. ENERGY: 207800 4063.1124 20704.4663 14440.3133 252.3524 -203392.5250 3297.9198 0.0000 0.0000 51990.3462 -108644.0144 298.7892 -160634.3607 -108282.4349 299.7573 174.9600 209.7306 764395.2468 -0.4452 -0.5409 PRESSURE: 208000 33.0909 3.16022 -225.811 3.1597 261.36 7.68156 -225.81 7.68159 223.944 GPRESSURE: 208000 71.813 -28.9313 -224.131 35.1643 311.12 84.8021 -279.985 23.3856 212.541 PRESSAVG: 208000 -24.6467 22.3756 8.82382 22.3756 82.9249 30.3622 8.82384 30.3621 1.78127 GPRESSAVG: 208000 -24.8775 23.0669 8.23952 22.3278 83.8426 31.4462 6.70967 28.463 1.22596 TIMING: 208000 CPU: 648.767, 0.00309591/step Wall: 648.767, 0.00309591/step, 4.121 hours remaining, 232.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 208000 4022.0951 20466.4583 14394.9923 256.6517 -203394.8093 3178.7379 0.0000 0.0000 52076.6689 -108999.2049 299.2853 -161075.8739 -108632.2643 299.2933 172.7981 198.4913 763604.8403 20.0198 20.0637 PRESSURE: 208200 -464.046 -156.785 -0.423558 -156.783 38.5393 89.0094 -0.424229 89.0103 -320.727 GPRESSURE: 208200 -257.371 -177.045 -5.08735 -88.0356 -61.2436 -0.258693 -48.8374 47.3189 -349.163 PRESSAVG: 208200 -39.4265 -12.3784 -29.4212 -12.3783 37.3655 -18.9528 -29.4212 -18.9528 3.61903 GPRESSAVG: 208200 -39.2343 -11.9787 -29.2447 -11.407 37.5934 -19.4798 -28.0872 -17.1208 3.61769 TIMING: 208200 CPU: 649.39, 0.0031141/step Wall: 649.39, 0.0031141/step, 4.14504 hours remaining, 232.937500 MB of memory in use. ENERGY: 208200 3991.2493 20635.1097 14548.9712 253.6051 -203274.4887 2790.5232 0.0000 0.0000 51976.0045 -109079.0259 298.7068 -161055.0303 -108725.5848 298.7214 -248.7443 -222.5925 763476.4449 0.5194 0.6589 LDB: ============= START OF LOAD BALANCING ============== 661.867 LDB: ============== END OF LOAD BALANCING =============== 661.867 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 661.869 LDB: ============= START OF LOAD BALANCING ============== 662.182 LDB: Largest compute 6997 load 0.029374 is 15.1% of average load 0.194685 LDB: Average compute 0.004357 is 2.2% of average load 0.194685 LDB: TIME 662.185 LOAD: AVG 0.194685 MAX 0.215637 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.094 MB LDB: TIME 662.185 LOAD: AVG 0.194685 MAX 0.215637 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.18 MB LDB: TIME 662.185 LOAD: AVG 0.194685 MAX 0.215637 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.18 MB LDB: ============== END OF LOAD BALANCING =============== 662.187 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 662.192 PRESSURE: 208400 -187.442 -24.7772 36.2394 -24.7773 -37.353 -110.199 36.2397 -110.199 538.473 GPRESSURE: 208400 -242.173 -98.1441 -18.9376 117.526 50.4255 -180.726 -2.90956 -30.4168 588.534 PRESSAVG: 208400 -72.9176 -49.0447 -28.7666 -49.0448 47.162 -25.4466 -28.7666 -25.4465 2.01995 GPRESSAVG: 208400 -72.0899 -46.4307 -29.5821 -49.4373 46.0682 -26.9072 -28.1979 -25.0823 2.35663 TIMING: 208400 CPU: 650.026, 0.00318367/step Wall: 650.026, 0.00318367/step, 4.23746 hours remaining, 234.347656 MB of memory in use. ENERGY: 208400 3980.6250 20596.6334 14492.3958 269.3274 -203310.4204 3057.8197 0.0000 0.0000 51852.9687 -109060.6504 297.9997 -160913.6191 -108711.6727 298.3369 104.5595 132.2622 763753.8038 -7.9119 -7.8883 PRESSURE: 208600 311.054 -53.5316 117.547 -53.5312 41.8181 -173.904 117.547 -173.905 19.6579 GPRESSURE: 208600 198.06 -98.3757 75.1578 -129.078 83.9397 -85.3528 106.22 -316.129 157.36 PRESSAVG: 208600 -48.0621 -23.1469 53.514 -23.147 20.2673 -25.241 53.5139 -25.2409 12.0318 GPRESSAVG: 208600 -49.8316 -24.7663 53.2803 -24.5581 21.2979 -23.9857 52.3059 -27.8065 12.0426 TIMING: 208600 CPU: 650.65, 0.0031204/step Wall: 650.65, 0.0031204/step, 4.15308 hours remaining, 234.906250 MB of memory in use. ENERGY: 208600 4032.3950 20459.1988 14558.6543 251.2575 -203240.2213 2786.0857 0.0000 0.0000 52060.1819 -109092.4480 299.1906 -161152.6299 -108738.8273 298.3047 124.1765 146.4533 762787.2542 -5.2543 -5.4970 PRESSURE: 208800 -286.182 -113.003 -123.994 -113.003 -134.444 150.977 -123.994 150.976 271.915 GPRESSURE: 208800 -207.016 -141.778 -205.756 -78.8026 -67.3776 137.15 -172.883 92.9807 202.053 PRESSAVG: 208800 -5.59842 -59.7026 30.4406 -59.7026 2.86221 -58.0244 30.4405 -58.0245 10.8941 GPRESSAVG: 208800 -4.84359 -59.8146 30.3889 -59.9084 1.42513 -56.0475 32.5548 -57.1599 11.5994 TIMING: 208800 CPU: 651.277, 0.00313402/step Wall: 651.277, 0.00313402/step, 4.17103 hours remaining, 234.906250 MB of memory in use. ENERGY: 208800 3944.2957 20469.8101 14607.5797 256.4209 -203180.0836 2877.7735 0.0000 0.0000 51918.4494 -109105.7544 298.3760 -161024.2038 -108743.4474 298.6686 -49.5703 -24.1137 765105.4638 2.7193 2.7270 PRESSURE: 209000 -148.275 -200.694 -52.0523 -200.694 -174.591 -156.168 -52.0526 -156.167 228.012 GPRESSURE: 209000 -29.1188 -108.513 -85.1207 -125.948 -171.269 -205.381 -51.8208 -92.8603 176.317 PRESSAVG: 209000 -65.1394 -39.8582 44.7609 -39.8582 49.6516 0.516056 44.7609 0.516044 0.549841 GPRESSAVG: 209000 -65.6987 -40.8731 46.7312 -38.6069 50.7369 1.53487 45.4549 2.16673 0.936874 TIMING: 209000 CPU: 651.901, 0.00312016/step Wall: 651.901, 0.00312016/step, 4.15241 hours remaining, 234.917969 MB of memory in use. ENERGY: 209000 3971.8646 20572.6549 14605.3571 261.6018 -203555.3988 3199.6519 0.0000 0.0000 51944.3731 -108999.8955 298.5250 -160944.2686 -108636.5401 298.7465 -31.6180 -8.0235 762812.5918 -4.9793 -4.6750 PRESSURE: 209200 -263.225 58.9406 -46.7759 58.9405 -44.9908 -17.3786 -46.7755 -17.3784 -75.3744 GPRESSURE: 209200 -154.42 -128.129 -8.63888 92.6225 -95.4164 -59.3453 -184.017 151.035 -41.0353 PRESSAVG: 209200 4.66372 -61.4512 1.91879 -61.4512 -6.20212 -61.5812 1.91885 -61.5812 13.1622 GPRESSAVG: 209200 5.17091 -61.2126 0.172395 -61.6805 -6.2131 -62.8066 -0.138648 -62.9604 12.2448 TIMING: 209200 CPU: 652.521, 0.00310069/step Wall: 652.521, 0.00310069/step, 4.12633 hours remaining, 235.121094 MB of memory in use. ENERGY: 209200 3953.2694 20659.5941 14572.5963 239.4317 -203183.5630 2818.4965 0.0000 0.0000 51797.3203 -109142.8547 297.6799 -160940.1750 -108786.2137 299.0043 -127.8635 -96.9571 763817.7409 3.8746 3.7342 PRESSURE: 209400 199.58 -1.9145 -106.53 -1.91462 -74.3398 -61.8108 -106.53 -61.8106 243.244 GPRESSURE: 209400 181.471 11.9574 -16.5653 4.90144 -7.34336 -42.0752 -132.088 -77.922 281.63 PRESSAVG: 209400 -39.9185 15.4954 -51.4431 15.4954 40.3078 4.62358 -51.443 4.62356 10.0001 GPRESSAVG: 209400 -40.2374 14.8076 -49.5242 14.9744 39.7434 3.48837 -52.8666 5.32116 10.7261 TIMING: 209400 CPU: 653.142, 0.00310388/step Wall: 653.142, 0.00310388/step, 4.13041 hours remaining, 235.121094 MB of memory in use. ENERGY: 209400 3961.1725 20471.3812 14526.8065 236.9650 -203404.1730 2848.1774 0.0000 0.0000 52200.4473 -109159.2231 299.9967 -161359.6704 -108810.4378 298.5966 122.8278 151.9192 763429.1235 3.4631 3.4107 PRESSURE: 209600 -194 73.5909 -37.9763 73.5913 -166.067 -21.4826 -37.9766 -21.4825 -228.554 GPRESSURE: 209600 -259.653 132.46 -13.5397 -39.2221 68.9598 -50.5361 -182.263 -40.3028 -302.209 PRESSAVG: 209600 5.13064 -6.92051 -51.7293 -6.92044 3.70768 -4.12805 -51.7293 -4.12806 2.72152 GPRESSAVG: 209600 5.06517 -5.64889 -52.9798 -7.90625 3.69853 -4.75209 -50.6597 -1.94716 2.53689 TIMING: 209600 CPU: 653.771, 0.00314662/step Wall: 653.771, 0.00314662/step, 4.1871 hours remaining, 235.121094 MB of memory in use. ENERGY: 209600 4092.1513 20476.7065 14519.5956 228.8484 -203154.6973 2993.5576 0.0000 0.0000 51843.4091 -109000.4288 297.9448 -160843.8379 -108652.8476 298.4565 -196.2067 -164.3008 765394.9638 3.8533 3.7669 PRESSURE: 209800 12.7894 89.7274 -34.2727 89.727 -130.253 -143.294 -34.2714 -143.295 10.7891 GPRESSURE: 209800 56.4631 200.436 -58.9146 0.269897 -124.585 -103.53 32.0455 -129.664 32.5906 PRESSAVG: 209800 -5.54232 4.88834 -40.076 4.88832 -18.4128 -23.4509 -40.076 -23.451 16.2437 GPRESSAVG: 209800 -5.17012 3.96931 -39.4786 7.4334 -18.4119 -21.0974 -40.3012 -25.1739 16.6153 TIMING: 209800 CPU: 654.401, 0.00314919/step Wall: 654.401, 0.00314919/step, 4.19034 hours remaining, 235.121094 MB of memory in use. ENERGY: 209800 4023.6706 20623.0645 14581.5391 254.0944 -203592.2626 3092.8600 0.0000 0.0000 51973.6060 -109043.4280 298.6930 -161017.0340 -108679.6995 298.3417 -35.5582 -11.8438 764805.0416 -2.5705 -2.3223 PRESSURE: 210000 403.111 108.161 143.36 108.161 -102.79 -269.447 143.359 -269.448 -72.7892 GPRESSURE: 210000 398.937 135.481 179.682 -4.24261 -67.6554 -240.608 69.254 -256.492 -23.3501 PRESSAVG: 210000 -38.0329 -38.7797 -44.4577 -38.7797 10.2044 -39.1006 -44.4577 -39.1007 5.70174 GPRESSAVG: 210000 -38.2854 -39.4721 -44.5412 -38.9597 11.6057 -41.2339 -44.4982 -38.8008 4.3549 TIMING: 210000 CPU: 655.031, 0.00314932/step Wall: 655.031, 0.00314932/step, 4.19035 hours remaining, 235.121094 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: 210000 3997.5134 20351.8711 14484.2659 260.0465 -202879.6966 2843.8728 0.0000 0.0000 51964.2897 -108977.8372 298.6395 -160942.1269 -108613.6789 298.2715 75.8438 102.6437 763235.4063 -7.3756 -7.4416 PRESSURE: 210200 -68.2928 75.6404 -36.7173 75.6409 -156.475 94.5722 -36.7174 94.5717 38.8301 GPRESSURE: 210200 -84.0239 106.069 -178.865 32.972 -79.2734 49.8391 -84.1648 248.273 76.4399 PRESSAVG: 210200 51.2382 -27.8743 -13.2946 -27.8744 -48.1485 -73.9036 -13.2945 -73.9037 7.28897 GPRESSAVG: 210200 51.8556 -26.1155 -12.5961 -29.7938 -49.7543 -73.9153 -12.8654 -72.8229 7.73018 TIMING: 210200 CPU: 655.663, 0.0031576/step Wall: 655.663, 0.0031576/step, 4.20119 hours remaining, 235.125000 MB of memory in use. ENERGY: 210200 4074.7320 20381.3871 14569.4573 254.7237 -203144.1951 2866.5489 0.0000 0.0000 52087.0097 -108910.3363 299.3448 -160997.3460 -108544.4905 299.0228 -61.9791 -28.9525 763917.7075 3.4596 3.2771 PRESSURE: 210400 265.206 -26.7979 167.472 -26.7993 -18.9336 -86.3534 167.472 -86.3526 299.917 GPRESSURE: 210400 316.512 5.6155 165.416 -43.076 67.4698 -170.678 185.365 -30.1617 245.532 PRESSAVG: 210400 -41.7834 -21.725 -38.2493 -21.725 59.8769 28.3002 -38.2494 28.3002 14.9979 GPRESSAVG: 210400 -42.1466 -23.2295 -39.6022 -21.0773 59.8672 28.3832 -36.6876 27.3769 15.6273 TIMING: 210400 CPU: 656.286, 0.00311746/step Wall: 656.286, 0.00311746/step, 4.14761 hours remaining, 235.125000 MB of memory in use. ENERGY: 210400 4062.2081 20363.4778 14585.2790 243.5230 -203592.4007 3164.3261 0.0000 0.0000 52073.3474 -109100.2394 299.2662 -161173.5868 -108735.9262 299.0973 182.0629 209.8379 763427.7130 11.0304 11.1159 PRESSURE: 210600 118.16 -44.3513 -277.827 -44.3517 -34.8227 118.896 -277.827 118.896 167.135 GPRESSURE: 210600 193.725 -142.554 -270.072 -0.488187 35.5726 28.1204 -255.906 267.244 104.554 PRESSAVG: 210600 10.4004 -4.74181 -30.0022 -4.7418 8.65772 18.6825 -30.0022 18.6825 11.4402 GPRESSAVG: 210600 10.4804 -5.69994 -29.8965 -3.19255 9.00501 18.8004 -27.8391 18.1841 11.149 TIMING: 210600 CPU: 656.906, 0.00310114/step Wall: 656.906, 0.00310114/step, 4.12573 hours remaining, 235.125000 MB of memory in use. ENERGY: 210600 3943.1587 20368.9565 14539.4720 244.4213 -203538.5707 3114.9309 0.0000 0.0000 52262.2006 -109065.4307 300.3516 -161327.6314 -108712.9489 298.6669 83.4908 111.2839 763285.5249 10.1661 10.2115 PRESSURE: 210800 -0.47324 -77.2696 -32.7223 -77.2686 7.84974 -203.355 -32.7217 -203.354 124.391 GPRESSURE: 210800 29.4698 -22.5613 -71.103 -121.192 68.3905 -214.381 57.3775 -137.182 124.019 PRESSAVG: 210800 -3.2438 0.643715 39.1032 0.643741 23.7821 30.5476 39.1033 30.5476 -15.3831 GPRESSAVG: 210800 -3.23341 3.27902 40.0676 -1.65034 24.9634 31.0815 36.7173 29.9895 -16.4271 TIMING: 210800 CPU: 657.534, 0.00314057/step Wall: 657.534, 0.00314057/step, 4.178 hours remaining, 235.125000 MB of memory in use. ENERGY: 210800 3932.1439 20408.4312 14536.1805 243.4036 -203488.5961 3194.7208 0.0000 0.0000 52157.7596 -109015.9565 299.7514 -161173.7160 -108653.3130 299.1644 43.9224 73.9596 764257.7206 1.7184 1.7676 PRESSURE: 211000 -241.292 -0.962018 -142.965 -0.961297 -35.2248 144.117 -142.964 144.118 -127.447 GPRESSURE: 211000 -124.418 95.653 -215.724 -13.4001 -128.767 79.4082 -252.286 151.491 -68.8721 PRESSAVG: 211000 53.629 -9.34645 13.924 -9.3465 -36.9882 -24.2502 13.924 -24.2501 9.91981 GPRESSAVG: 211000 53.512 -11.3777 12.2283 -6.17532 -38.9011 -23.5228 14.4595 -23.5494 11.8835 TIMING: 211000 CPU: 658.156, 0.00310702/step Wall: 658.156, 0.00310702/step, 4.1332 hours remaining, 235.125000 MB of memory in use. ENERGY: 211000 4003.4686 20428.0753 14517.8179 244.2084 -203088.9920 2916.4665 0.0000 0.0000 52097.7142 -108881.2411 299.4063 -160978.9553 -108519.9540 298.4782 -134.6546 -107.3524 765863.2919 8.8535 8.8314 PRESSURE: 211200 -191.95 -62.537 68.7485 -62.5371 -298.516 274.082 68.7486 274.083 -327.417 GPRESSURE: 211200 -183.716 -39.1502 96.6947 -29.41 -145.372 344.567 80.8519 271.05 -399.603 PRESSAVG: 211200 39.3882 64.0832 19.3076 64.0832 -11.471 25.7764 19.3076 25.7763 -18.3221 GPRESSAVG: 211200 40.0174 64.5121 20.4869 60.8426 -10.553 23.6971 16.546 26.477 -19.3013 TIMING: 211200 CPU: 658.775, 0.00309722/step Wall: 658.775, 0.00309722/step, 4.11999 hours remaining, 235.125000 MB of memory in use. ENERGY: 211200 4089.0056 20545.2835 14547.1924 245.8237 -203212.7187 2876.2022 0.0000 0.0000 51960.2656 -108948.9456 298.6164 -160909.2112 -108596.4415 298.9118 -272.6276 -242.8968 766216.8243 3.1984 3.3877 PRESSURE: 211400 132.101 -18.2561 7.74336 -18.2551 -83.9661 35.0286 7.7432 35.0299 -77.4986 GPRESSURE: 211400 168.437 -68.1151 82.1818 -14.7594 -51.4976 74.0779 -115.568 41.0658 -73.7558 PRESSAVG: 211400 -35.6528 29.7626 9.71344 29.7626 0.533937 33.4619 9.71348 33.4619 -2.56761 GPRESSAVG: 211400 -36.3686 28.2334 9.65104 32.2949 0.277564 33.249 13.0756 33.6644 -1.63891 TIMING: 211400 CPU: 659.399, 0.00311758/step Wall: 659.399, 0.00311758/step, 4.1469 hours remaining, 235.125000 MB of memory in use. ENERGY: 211400 3977.5270 20651.1431 14580.7106 280.4607 -203811.7583 3432.5479 0.0000 0.0000 52084.8288 -108804.5401 299.3322 -160889.3689 -108435.9771 299.0200 -9.7878 14.3944 763392.6566 -12.5622 -12.5766 PRESSURE: 211600 -60.6841 -22.1239 -72.8514 -22.1246 -347.859 189.454 -72.8519 189.454 -78.7301 GPRESSURE: 211600 13.7259 7.52776 -74.5538 11.87 -248.775 237.416 -20.1026 70.8505 -172.974 PRESSAVG: 211600 27.3895 0.507059 -18.6338 0.507007 -8.04513 47.6406 -18.6338 47.6406 -6.57787 GPRESSAVG: 211600 27.1928 1.84091 -17.2814 -0.656252 -7.0789 49.1401 -19.6826 45.8031 -6.85501 TIMING: 211600 CPU: 660.025, 0.00313271/step Wall: 660.025, 0.00313271/step, 4.16685 hours remaining, 235.125000 MB of memory in use. ENERGY: 211600 3961.3223 20494.3534 14532.6324 245.9740 -203176.0501 2768.9870 0.0000 0.0000 52251.5350 -108921.2461 300.2903 -161172.7811 -108557.0696 298.4226 -162.4243 -136.0077 762953.8728 4.2555 4.4196 PRESSURE: 211800 -511.649 -146.946 167.027 -146.946 87.1043 -67.3412 167.027 -67.3421 -9.11061 GPRESSURE: 211800 -439.386 -230.593 125.082 -60.1765 78.7694 -63.1475 115.201 -86.9258 22.4349 PRESSAVG: 211800 28.076 23.8805 25.7912 23.8805 13.0538 21.0562 25.7913 21.0562 -5.78476 GPRESSAVG: 211800 27.7853 24.8123 24.3549 24.5302 13.6791 21.8949 26.2803 22.0691 -6.41291 TIMING: 211800 CPU: 660.643, 0.00308937/step Wall: 660.643, 0.00308937/step, 4.10903 hours remaining, 235.125000 MB of memory in use. ENERGY: 211800 4071.9235 20537.5742 14493.1390 256.8025 -203349.5481 3023.6671 0.0000 0.0000 52112.2302 -108854.2115 299.4897 -160966.4417 -108503.6594 299.1723 -144.5518 -112.7274 763843.6480 11.7817 11.6838 PRESSURE: 212000 -87.4926 -66.3113 65.8083 -66.3108 -261.884 52.467 65.809 52.4659 -153.471 GPRESSURE: 212000 24.7174 40.058 8.14178 -54.1934 -237.793 42.719 64.8842 -15.0509 -185.528 PRESSAVG: 212000 0.806567 -5.15918 2.16814 -5.1592 12.0079 -19.1491 2.16819 -19.1491 9.35576 GPRESSAVG: 212000 2.17847 -5.99318 2.05286 -3.86789 9.4853 -20.5326 1.97675 -20.7298 10.1786 TIMING: 212000 CPU: 661.263, 0.00309642/step Wall: 661.263, 0.00309642/step, 4.11824 hours remaining, 235.125000 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: 212000 3952.2015 20429.7583 14503.8219 274.2382 -202924.3270 2896.3041 0.0000 0.0000 52112.6470 -108755.3560 299.4921 -160868.0031 -108388.9203 298.9572 -167.6158 -132.8676 764070.9504 7.3901 7.2808 PRESSURE: 212200 367.62 123.381 275.699 123.382 404.323 -42.8876 275.699 -42.8886 119.167 GPRESSURE: 212200 393.93 -68.0505 354.078 75.9307 356.36 -49.906 200.943 -182.87 207.85 PRESSAVG: 212200 -26.6093 13.5297 -3.22543 13.5298 43.8652 41.2839 -3.22547 41.284 -19.8404 GPRESSAVG: 212200 -26.6245 13.8966 -2.49441 14.1651 44.1137 44.8216 -3.38134 41.2023 -19.935 TIMING: 212200 CPU: 661.883, 0.00310274/step Wall: 661.883, 0.00310274/step, 4.12647 hours remaining, 235.125000 MB of memory in use. ENERGY: 212200 3945.0772 20520.2675 14486.8753 258.9413 -202813.8137 2906.2794 0.0000 0.0000 51976.7285 -108719.6446 298.7110 -160696.3731 -108358.2486 299.4303 297.0364 319.3799 763499.8579 -0.8615 -0.8153 LDB: ============= START OF LOAD BALANCING ============== 674.36 LDB: ============== END OF LOAD BALANCING =============== 674.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 674.362 LDB: ============= START OF LOAD BALANCING ============== 674.674 LDB: Largest compute 6977 load 0.028315 is 14.5% of average load 0.194721 LDB: Average compute 0.004396 is 2.3% of average load 0.194721 LDB: TIME 674.677 LOAD: AVG 0.194721 MAX 0.214416 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.668 MB LDB: TIME 674.678 LOAD: AVG 0.194721 MAX 0.214416 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.668 MB LDB: TIME 674.678 LOAD: AVG 0.194721 MAX 0.214416 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.668 MB LDB: ============== END OF LOAD BALANCING =============== 674.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 674.685 PRESSURE: 212400 117.525 153.331 -123.313 153.331 -141.96 -368.957 -123.312 -368.956 67.4128 GPRESSURE: 212400 112.229 101.77 -54.2843 73.3554 -46.1127 -402.408 -93.2871 -354.516 71.9709 PRESSAVG: 212400 -6.53592 -8.72662 1.80739 -8.72661 33.4915 -2.97393 1.80742 -2.97396 14.3063 GPRESSAVG: 212400 -6.48528 -9.40237 1.30485 -8.45072 34.5641 -6.11925 0.53113 -2.99642 13.5681 TIMING: 212400 CPU: 662.519, 0.00317877/step Wall: 662.519, 0.00317877/step, 4.22741 hours remaining, 233.183594 MB of memory in use. ENERGY: 212400 3928.6768 20500.1285 14530.5550 232.9716 -202160.3618 2776.9735 0.0000 0.0000 51567.5216 -108623.5349 296.3593 -160191.0564 -108257.1125 299.0394 14.3262 46.0292 766067.6435 13.7540 13.8823 PRESSURE: 212600 98.3575 -107.48 -14.3024 -107.478 -161.348 15.3666 -14.3013 15.3665 -129.162 GPRESSURE: 212600 26.7129 -46.3876 -18.505 -110.215 -103.72 67.6536 16.8151 74.5691 -21.5565 PRESSAVG: 212600 -59.4125 -6.60275 2.3203 -6.60268 87.0979 9.66066 2.32028 9.66061 15.2093 GPRESSAVG: 212600 -59.2561 -4.89531 0.456339 -9.79407 87.0397 11.6865 3.05796 11.1709 15.7573 TIMING: 212600 CPU: 663.141, 0.00311143/step Wall: 663.141, 0.00311143/step, 4.13769 hours remaining, 233.183594 MB of memory in use. ENERGY: 212600 4012.3030 20650.0219 14416.3166 249.1509 -202459.1852 2669.5835 0.0000 0.0000 51934.5378 -108527.2715 298.4685 -160461.8093 -108165.3723 298.9276 -64.0508 -32.8546 764194.7559 14.2982 14.5136 PRESSURE: 212800 -114.423 -137.209 -27.1146 -137.209 -223.064 -77.4116 -27.1147 -77.4117 383.196 GPRESSURE: 212800 -20.4585 -176.536 8.69357 -96.0949 -173.622 -136.698 90.0333 -124.999 328.193 PRESSAVG: 212800 10.599 -37.0588 -12.9918 -37.0588 22.6482 -32.1266 -12.9917 -32.1266 -6.99662 GPRESSAVG: 212800 11.0385 -37.0438 -11.491 -36.4704 23.0619 -33.8964 -12.8863 -34.8685 -8.01998 TIMING: 212800 CPU: 663.763, 0.0031083/step Wall: 663.763, 0.0031083/step, 4.13335 hours remaining, 233.183594 MB of memory in use. ENERGY: 212800 4074.1547 20554.1156 14502.6429 251.6416 -203147.8513 3120.1529 0.0000 0.0000 52252.1184 -108393.0252 300.2936 -160645.1436 -108034.8318 299.7830 15.2364 44.7041 765108.3563 8.7502 8.6935 PRESSURE: 213000 141.6 -224.316 145.316 -224.317 22.17 -98.7725 145.317 -98.7728 353.686 GPRESSURE: 213000 241.951 -323.067 244.75 -48.8684 8.20327 23.8461 108.964 49.6162 358.243 PRESSAVG: 213000 6.59579 -18.2703 30.1279 -18.2703 2.16944 -42.3198 30.1279 -42.3199 -2.72031 GPRESSAVG: 213000 6.33858 -19.144 31.1899 -16.5858 0.975832 -40.9016 29.642 -40.418 -1.22549 TIMING: 213000 CPU: 664.383, 0.00310088/step Wall: 664.383, 0.00310088/step, 4.12331 hours remaining, 233.183594 MB of memory in use. ENERGY: 213000 3982.1339 20570.1595 14452.2757 256.2297 -202879.6860 3103.8924 0.0000 0.0000 52086.6939 -108428.3009 299.3429 -160514.9948 -108059.7315 299.5564 172.4855 202.7993 763913.9873 2.0150 2.0296 PRESSURE: 213200 125.43 64.0495 101.746 64.0499 -100.058 33.2581 101.745 33.26 -45.9865 GPRESSURE: 213200 150.462 127.729 62.0141 52.7864 17.2364 112.043 57.1427 -10.7765 -104.974 PRESSAVG: 213200 -13.8248 -63.4824 15.359 -63.4824 32.7001 51.6958 15.359 51.6958 12.4629 GPRESSAVG: 213200 -13.9505 -64.6151 14.1229 -62.6924 32.7086 50.8812 16.147 53.8373 12.4973 TIMING: 213200 CPU: 665.005, 0.00310967/step Wall: 665.005, 0.00310968/step, 4.13483 hours remaining, 233.183594 MB of memory in use. ENERGY: 213200 4050.8023 20381.1569 14596.2237 241.9579 -202985.4906 2994.3806 0.0000 0.0000 52103.8033 -108617.1659 299.4413 -160720.9692 -108249.1937 299.6206 -6.8716 20.9082 763793.1463 10.4461 10.4185 PRESSURE: 213400 -27.417 -152.656 122.738 -152.655 103.147 -235.232 122.738 -235.233 249.181 GPRESSURE: 213400 50.5414 -51.7848 184.892 -94.8074 93.4989 -136.428 33.5105 -217.367 273.768 PRESSAVG: 213400 -37.5934 -36.7115 -30.8869 -36.7115 49.0677 8.66831 -30.8869 8.6683 1.6435 GPRESSAVG: 213400 -36.9724 -35.8717 -32.0096 -39.3195 50.252 8.78853 -29.6132 7.55173 -1.04814 TIMING: 213400 CPU: 665.626, 0.00310694/step Wall: 665.626, 0.00310694/step, 4.13102 hours remaining, 233.183594 MB of memory in use. ENERGY: 213400 3979.1941 20678.9149 14516.2270 256.9834 -203186.8864 3207.8809 0.0000 0.0000 52037.9248 -108509.7613 299.0627 -160547.6861 -108146.3483 299.8621 108.3038 139.2696 765506.7937 4.3726 4.0772 PRESSURE: 213600 68.0904 -179.518 -126.1 -179.517 131.736 4.53465 -126.1 4.53439 158.056 GPRESSURE: 213600 151.267 -114.645 -158.332 -116.088 86.2219 48.0356 -174.18 28.9313 215.934 PRESSAVG: 213600 -32.7976 -42.8462 -65.666 -42.8463 9.22829 -8.86847 -65.6661 -8.86852 11.3322 GPRESSAVG: 213600 -34.0726 -43.3611 -66.3982 -39.7934 8.87395 -8.89681 -66.8281 -6.36693 12.6726 TIMING: 213600 CPU: 666.246, 0.00310062/step Wall: 666.246, 0.00310062/step, 4.12245 hours remaining, 233.183594 MB of memory in use. ENERGY: 213600 3901.5382 20677.9761 14471.6748 255.3937 -203146.7927 3080.7806 0.0000 0.0000 52162.1186 -108597.3107 299.7764 -160759.4292 -108232.8828 299.8209 119.2941 151.1411 765923.7672 -4.0791 -4.1753 PRESSURE: 213800 -200.175 -134.442 -215.245 -134.441 -231.97 -58.6673 -215.245 -58.6683 30.9143 GPRESSURE: 213800 -153.066 -137.425 -182.222 -9.05779 -194.571 -23.2494 -192.82 -103.966 32.5103 PRESSAVG: 213800 -31.4845 -20.3168 12.2695 -20.3167 33.0049 18.9675 12.2695 18.9675 1.26179 GPRESSAVG: 213800 -30.7869 -20.0201 13.8349 -20.7436 32.5742 19.7926 11.3933 17.2881 1.06877 TIMING: 213800 CPU: 666.868, 0.00310999/step Wall: 666.868, 0.00310999/step, 4.13473 hours remaining, 233.183594 MB of memory in use. ENERGY: 213800 4001.8501 20553.6816 14529.8187 235.3224 -202862.8016 2776.5382 0.0000 0.0000 52178.1547 -108587.4361 299.8686 -160765.5908 -108227.0933 299.2739 -133.7436 -105.0422 767379.5931 0.9274 0.9520 PRESSURE: 214000 -250.311 -94.3941 168.867 -94.3941 86.1836 -278.245 168.867 -278.246 -413.37 GPRESSURE: 214000 -190.877 -33.5298 223.815 -85.671 30.0023 -300.122 226.462 -217.188 -352.091 PRESSAVG: 214000 -1.48683 -15.2751 20.6905 -15.2751 -13.455 -2.3853 20.6905 -2.38533 13.8122 GPRESSAVG: 214000 -1.59591 -15.3275 21.4705 -16.1393 -12.7499 -2.55896 20.7989 -4.11164 13.4052 TIMING: 214000 CPU: 667.491, 0.00311317/step Wall: 667.491, 0.00311317/step, 4.13879 hours remaining, 233.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 214000 4082.9792 20613.9240 14568.1844 246.7832 -202947.7776 2921.0928 0.0000 0.0000 52076.3474 -108438.4667 299.2835 -160514.8140 -108079.1625 299.4111 -192.4991 -170.9886 766538.6352 -0.3765 -0.3135 PRESSURE: 214200 -288.57 184.683 -184.805 184.683 -422.205 54.4854 -184.805 54.4845 9.3537 GPRESSURE: 214200 -307.743 107.753 -125.365 122.232 -303.638 161.729 -28.5935 -123.591 12.8847 PRESSAVG: 214200 -14.861 -4.37402 -17.9127 -4.37404 10.2916 50.7365 -17.9127 50.7365 -1.62092 GPRESSAVG: 214200 -15.2734 -4.74156 -17.9524 -3.37681 9.87822 49.5376 -17.8649 52.6873 -0.375229 TIMING: 214200 CPU: 668.111, 0.0030997/step Wall: 668.111, 0.0030997/step, 4.12071 hours remaining, 233.183594 MB of memory in use. ENERGY: 214200 4110.6824 20481.9528 14609.5189 255.8787 -202440.0950 2615.4618 0.0000 0.0000 52022.9235 -108343.6768 298.9765 -160366.6003 -107974.4749 299.5655 -233.8071 -199.4987 765732.8779 -2.0634 -1.9235 PRESSURE: 214400 -422.158 -18.1984 -118.347 -18.1984 -495.562 23.1145 -118.348 23.1148 -472.083 GPRESSURE: 214400 -424.085 -51.6194 -113.823 61.543 -434.459 48.0474 -28.7138 -22.1181 -452.439 PRESSAVG: 214400 -2.94056 -5.27697 -69.3215 -5.27701 36.0347 28.2473 -69.3215 28.2472 -25.2549 GPRESSAVG: 214400 -1.37405 -3.48258 -70.4944 -6.72442 35.4999 27.7345 -69.9822 25.5805 -26.1648 TIMING: 214400 CPU: 668.728, 0.00308743/step Wall: 668.728, 0.00308743/step, 4.10422 hours remaining, 233.183594 MB of memory in use. ENERGY: 214400 4045.6295 20551.5138 14639.4519 261.6325 -202737.0098 2645.5861 0.0000 0.0000 51918.0932 -108675.1026 298.3740 -160593.1958 -108312.8139 299.5669 -463.2675 -436.9944 766192.2220 2.6131 2.6537 PRESSURE: 214600 -231.432 -13.4452 180.385 -13.4456 -97.8045 -110.105 180.385 -110.104 46.7581 GPRESSURE: 214600 -183.356 9.75203 222.099 -137.12 -65.7182 -225.593 95.2828 -64.0849 30.4329 PRESSAVG: 214600 -25.1417 -55.8776 4.02941 -55.8776 22.1233 -10.7425 4.02936 -10.7424 19.7826 GPRESSAVG: 214600 -26.614 -57.3783 5.77492 -56.6626 23.3024 -10.669 4.99814 -8.65781 19.8975 TIMING: 214600 CPU: 669.348, 0.00309988/step Wall: 669.348, 0.00309988/step, 4.12061 hours remaining, 233.183594 MB of memory in use. ENERGY: 214600 3948.7076 20789.2864 14539.8838 248.7140 -202951.2882 2929.0224 0.0000 0.0000 51778.3627 -108717.3112 297.5710 -160495.6740 -108363.1408 299.4809 -94.1594 -72.8806 765618.7735 5.5881 5.5286 PRESSURE: 214800 199.354 107.732 -72.741 107.731 87.2987 -67.3507 -72.7407 -67.3507 -94.8755 GPRESSURE: 214800 239.456 155.381 -131.38 40.1463 122.822 36.737 -103.832 -76.9853 -81.1655 PRESSAVG: 214800 -1.13009 -62.0085 -17.03 -62.0085 33.0369 36.2495 -17.03 36.2494 -2.30578 GPRESSAVG: 214800 -0.651942 -63.084 -19.5303 -62.251 32.8992 37.5083 -18.1821 37.2541 -2.3937 TIMING: 214800 CPU: 669.972, 0.00311703/step Wall: 669.972, 0.00311703/step, 4.14322 hours remaining, 233.183594 MB of memory in use. ENERGY: 214800 3990.6356 20575.2493 14563.5192 231.5220 -203415.1664 3316.0750 0.0000 0.0000 52040.7502 -108697.4150 299.0789 -160738.1652 -108334.8569 299.3356 63.9257 93.7042 763333.2890 9.8670 9.9512 PRESSURE: 215000 -231.156 -160.38 98.296 -160.38 -268.066 -150.504 98.2959 -150.504 -437.704 GPRESSURE: 215000 -123.34 -145.456 88.5305 -180.687 -303.595 -146.32 125.315 -210.138 -433.851 PRESSAVG: 215000 -7.52298 -37.8093 -29.7904 -37.8093 -9.78313 -41.2204 -29.7904 -41.2203 0.553657 GPRESSAVG: 215000 -7.58866 -34.8281 -29.5734 -37.0717 -10.4945 -40.812 -29.6271 -43.2552 1.34479 TIMING: 215000 CPU: 670.592, 0.00310289/step Wall: 670.592, 0.00310289/step, 4.12426 hours remaining, 233.183594 MB of memory in use. ENERGY: 215000 4030.2125 20618.5282 14561.6641 260.4877 -202662.9389 2735.8971 0.0000 0.0000 51886.7230 -108569.4262 298.1937 -160456.1492 -108214.1041 299.3025 -312.3085 -286.9288 766304.1135 -5.5842 -5.5794 PRESSURE: 215200 -137.205 27.7601 84.1923 27.7595 -119.498 -10.2173 84.1919 -10.2179 69.7584 GPRESSURE: 215200 -143.212 28.7046 116.989 -83.6892 -48.1757 14.2456 159.771 -7.37795 75.2206 PRESSAVG: 215200 6.16497 -34.2349 23.0669 -34.235 8.69636 38.1394 23.0669 38.1394 0.24853 GPRESSAVG: 215200 7.33317 -36.4201 22.7534 -34.011 8.22487 37.6586 25.0859 39.7093 -0.198156 TIMING: 215200 CPU: 671.212, 0.00309938/step Wall: 671.212, 0.00309938/step, 4.11942 hours remaining, 233.183594 MB of memory in use. ENERGY: 215200 3954.9204 20613.6496 14482.7967 263.8012 -203122.3184 3019.2732 0.0000 0.0000 51933.8229 -108854.0545 298.4644 -160787.8774 -108495.5831 299.1454 -62.3146 -38.7223 766404.2368 5.0366 5.1200 PRESSURE: 215400 590.363 -25.9333 102.323 -25.9331 -133.337 183.58 102.322 183.582 308.502 GPRESSURE: 215400 557.647 -23.38 -33.5884 -105.548 -57.3645 195.516 77.8804 -14.3208 338.1 PRESSAVG: 215400 33.6934 -38.5977 -6.87189 -38.5977 34.7846 22.1274 -6.8719 22.1274 14.3336 GPRESSAVG: 215400 33.1373 -37.7003 -6.32581 -38.0764 35.0841 21.2889 -8.22522 22.3648 14.9143 TIMING: 215400 CPU: 671.829, 0.00308399/step Wall: 671.829, 0.00308399/step, 4.0988 hours remaining, 233.183594 MB of memory in use. ENERGY: 215400 3907.2778 20475.9320 14533.6616 238.4955 -203519.0605 3258.2747 0.0000 0.0000 52154.6890 -108950.7299 299.7337 -161105.4189 -108591.2016 299.0276 255.1763 279.4609 766180.1350 27.6039 27.7119 PRESSURE: 215600 -233.016 -43.9958 55.438 -43.9952 -528.24 -305.711 55.4391 -305.711 -127.353 GPRESSURE: 215600 -255.016 -94.3076 77.9672 -94.5948 -421.505 -257.418 63.3138 -263.827 -110.018 PRESSAVG: 215600 -7.6753 -27.1187 -32.4797 -27.1187 29.1089 7.58355 -32.4797 7.58354 -24.7753 GPRESSAVG: 215600 -7.38986 -28.8058 -31.6405 -26.2561 30.7384 8.5943 -30.9498 7.86528 -26.6536 TIMING: 215600 CPU: 672.446, 0.00308445/step Wall: 672.446, 0.00308445/step, 4.09923 hours remaining, 233.183594 MB of memory in use. ENERGY: 215600 3990.3566 20378.4122 14438.1087 237.6747 -202986.2960 2906.2042 0.0000 0.0000 52214.6553 -108820.8843 300.0783 -161035.5396 -108453.8568 298.8668 -296.2032 -262.1798 767598.1045 -1.1139 -1.1017 PRESSURE: 215800 415.039 -53.796 -90.9854 -53.7959 -282.454 14.1526 -90.9859 14.1534 -119.73 GPRESSURE: 215800 261.972 27.9714 -153.56 123.727 -194.328 -39.0593 -175.429 80.5831 13.7416 PRESSAVG: 215800 10.5207 3.95134 -16.235 3.95137 7.82326 -27.2071 -16.235 -27.2071 15.0765 GPRESSAVG: 215800 10.0859 5.1476 -17.082 3.26933 5.70966 -28.596 -17.1418 -26.6399 17.3862 TIMING: 215800 CPU: 673.066, 0.00310121/step Wall: 673.066, 0.00310121/step, 4.12133 hours remaining, 233.183594 MB of memory in use. ENERGY: 215800 3881.8990 20500.8884 14540.4863 248.6654 -202641.7496 2805.8856 0.0000 0.0000 51839.5161 -108824.4087 297.9224 -160663.9248 -108463.8932 298.5470 4.2850 27.1285 766311.1410 11.1402 11.0606 PRESSURE: 216000 -216.001 177.195 72.309 177.196 -147.685 -8.16807 72.3083 -8.16877 -261.892 GPRESSURE: 216000 -75.3978 258.649 151.818 76.2789 -170.239 -76.9245 121.697 60.986 -312.166 PRESSAVG: 216000 1.39289 -8.92889 -51.57 -8.92899 -22.4377 -40.1406 -51.57 -40.1406 -0.0281633 GPRESSAVG: 216000 1.71095 -8.081 -52.4567 -10.1224 -22.2919 -38.3446 -50.8042 -42.8995 -0.675287 TIMING: 216000 CPU: 673.69, 0.0031188/step Wall: 673.69, 0.0031188/step, 4.14454 hours remaining, 233.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 216000 3953.0143 20613.7712 14544.6410 255.7843 -202893.0077 2783.0955 0.0000 0.0000 51951.5421 -108791.1592 298.5662 -160742.7013 -108434.3072 299.0018 -208.5259 -185.9344 765620.2604 -7.0243 -7.0854 PRESSURE: 216200 -305.452 119.349 9.16304 119.349 -349.866 111.074 9.16351 111.074 -111.493 GPRESSURE: 216200 -288.035 -85.0416 3.02842 271.944 -286.185 71.6392 -8.62128 47.2263 -133.864 PRESSAVG: 216200 -0.10423 13.0529 19.3569 13.0529 19.1269 16.3763 19.3569 16.3763 3.55205 GPRESSAVG: 216200 -0.482042 14.4847 20.2678 12.7733 18.7698 16.1363 17.5416 15.8525 4.09576 TIMING: 216200 CPU: 674.314, 0.00311755/step Wall: 674.314, 0.00311755/step, 4.14271 hours remaining, 233.183594 MB of memory in use. ENERGY: 216200 3955.8922 20352.0401 14530.9575 241.3077 -202487.0984 2600.0508 0.0000 0.0000 52096.5143 -108710.3357 299.3994 -160806.8500 -108335.4700 299.0479 -255.6036 -236.0282 764968.0988 7.5249 7.4612 LDB: ============= START OF LOAD BALANCING ============== 686.79 LDB: ============== END OF LOAD BALANCING =============== 686.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 686.792 LDB: ============= START OF LOAD BALANCING ============== 687.103 LDB: Largest compute 7052 load 0.030050 is 15.4% of average load 0.194607 LDB: Average compute 0.004390 is 2.3% of average load 0.194607 LDB: TIME 687.107 LOAD: AVG 0.194607 MAX 0.213403 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.184 MB LDB: TIME 687.107 LOAD: AVG 0.194607 MAX 0.213403 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.188 MB LDB: TIME 687.107 LOAD: AVG 0.194607 MAX 0.213403 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.188 MB LDB: ============== END OF LOAD BALANCING =============== 687.109 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 687.114 PRESSURE: 216400 52.1997 125.848 -122.087 125.849 -52.1433 9.73562 -122.086 9.73602 -249.576 GPRESSURE: 216400 50.6735 98.6368 -69.4178 107.347 6.80172 -42.8155 -69.7724 80.3885 -227.408 PRESSAVG: 216400 0.674194 35.1725 -2.30277 35.1725 37.102 18.4798 -2.30279 18.4798 -5.37008 GPRESSAVG: 216400 1.14274 33.6988 -0.481201 35.5612 35.9547 17.929 -1.01997 17.9269 -4.5153 TIMING: 216400 CPU: 674.948, 0.00317278/step Wall: 674.948, 0.00317278/step, 4.21592 hours remaining, 234.464844 MB of memory in use. ENERGY: 216400 3973.3802 20540.8115 14541.6065 259.1785 -203144.8922 2999.6309 0.0000 0.0000 52056.9969 -108773.2877 299.1723 -160830.2845 -108413.7248 299.0140 -83.1730 -56.6444 765169.2056 10.8020 10.8607 PRESSURE: 216600 -365.789 136.608 -180.792 136.607 62.9876 -201.458 -180.791 -201.459 -240.271 GPRESSURE: 216600 -242.198 124.415 -136.544 126.749 35.3615 -231.08 -140.519 -140.151 -263.39 PRESSAVG: 216600 23.1513 51.6062 49.4244 51.6062 -50.8793 11.5532 49.4244 11.5532 -39.1445 GPRESSAVG: 216600 23.6343 50.3777 48.8076 51.5226 -49.0359 11.3918 49.1011 10.6913 -41.3044 TIMING: 216600 CPU: 675.576, 0.00313919/step Wall: 675.576, 0.00313919/step, 4.17112 hours remaining, 234.535156 MB of memory in use. ENERGY: 216600 3956.3489 20526.8513 14474.3968 228.1367 -202598.7036 2767.4504 0.0000 0.0000 51949.9684 -108695.5511 298.5572 -160645.5194 -108333.5287 298.6914 -181.0241 -156.7422 765573.8899 -22.2908 -22.2353 PRESSURE: 216800 151.47 18.7451 -48.6998 18.7448 367.733 60.8533 -48.6992 60.8536 -254.36 GPRESSURE: 216800 320.426 -55.9108 -83.6853 -32.2209 344.933 49.5841 -75.562 194.916 -318.321 PRESSAVG: 216800 1.0532 28.471 -24.4883 28.471 -14.7626 -34.771 -24.4883 -34.7711 -18.7571 GPRESSAVG: 216800 1.18063 29.8168 -24.7877 28.5315 -15.0528 -33.4312 -25.6188 -30.9866 -18.496 TIMING: 216800 CPU: 676.199, 0.00311604/step Wall: 676.199, 0.00311604/step, 4.14018 hours remaining, 234.535156 MB of memory in use. ENERGY: 216800 3995.1874 20494.3162 14554.6301 264.1657 -203066.1647 3086.1416 0.0000 0.0000 52056.9821 -108614.7416 299.1722 -160671.7237 -108253.1803 299.2762 88.2808 115.6790 763482.3578 -10.8222 -10.7894 PRESSURE: 217000 -49.8349 134.081 290.972 134.081 193.343 138.961 290.972 138.96 85.9497 GPRESSURE: 217000 -9.22908 155.265 286.121 260.191 219.77 150.254 300.206 133.853 106.212 PRESSAVG: 217000 8.7309 34.4457 -12.4189 34.4457 7.87826 25.734 -12.4189 25.734 32.2841 GPRESSAVG: 217000 8.02363 34.1954 -12.8999 34.6802 7.99147 25.7335 -10.2957 22.5131 33.2927 TIMING: 217000 CPU: 676.82, 0.00310376/step Wall: 676.82, 0.00310376/step, 4.12369 hours remaining, 234.535156 MB of memory in use. ENERGY: 217000 3983.1521 20494.4558 14464.0971 252.2762 -203410.5935 3041.1151 0.0000 0.0000 52324.1758 -108851.3214 300.7078 -161175.4972 -108486.2945 299.5688 76.4860 105.5846 763891.3051 16.2977 16.4359 PRESSURE: 217200 142.533 18.5434 -37.8323 18.5436 -140.325 155.996 -37.8326 155.996 148.828 GPRESSURE: 217200 133.284 -65.7113 -13.5003 -18.269 -39.9246 147.333 -141.362 146.666 153.559 PRESSAVG: 217200 7.98851 -47.0654 17.0026 -47.0654 16.4969 -15.2269 17.0026 -15.2268 -12.2585 GPRESSAVG: 217200 8.08741 -49.1294 17.4113 -47.4599 16.113 -16.4701 15.0414 -13.2636 -12.3813 TIMING: 217200 CPU: 677.44, 0.00310105/step Wall: 677.44, 0.00310105/step, 4.11991 hours remaining, 234.535156 MB of memory in use. ENERGY: 217200 3958.3106 20307.0291 14523.2882 252.1045 -203165.4284 3084.6099 0.0000 0.0000 52105.3677 -108934.7183 299.4503 -161040.0860 -108571.1372 298.8737 50.3455 82.3061 763485.2689 4.0756 3.9397 PRESSURE: 217400 6.29968 11.3674 -100.844 11.3667 -81.8705 99.2848 -100.844 99.2859 141.443 GPRESSURE: 217400 -41.2025 114.424 -87.8662 -25.7761 -73.8542 138.473 -102.59 18.4247 267.403 PRESSAVG: 217400 53.3469 -10.5276 31.6035 -10.5276 -70.8564 1.55509 31.6035 1.55513 0.297918 GPRESSAVG: 217400 54.0273 -7.97308 33.443 -10.6331 -71.929 0.712864 31.2446 1.22698 0.360766 TIMING: 217400 CPU: 678.058, 0.00309163/step Wall: 678.058, 0.00309163/step, 4.10723 hours remaining, 234.535156 MB of memory in use. ENERGY: 217400 4042.8596 20546.3299 14589.9580 246.7332 -203394.9967 3161.7153 0.0000 0.0000 52362.0150 -108445.3855 300.9252 -160807.4005 -108075.7098 299.7916 21.9573 50.7822 763669.4336 -5.7372 -5.8470 PRESSURE: 217600 -321.304 1.65273 203.976 1.65278 -186.353 165.966 203.975 165.966 190.01 GPRESSURE: 217600 -308.737 27.0994 200.287 2.3562 -62.1414 88.6833 80.5963 270.063 150.77 PRESSAVG: 217600 44.0315 -22.2535 33.163 -22.2535 -32.5128 18.116 33.163 18.116 14.2804 GPRESSAVG: 217600 43.714 -22.4284 31.933 -20.9458 -31.7181 17.462 34.6792 18.7782 13.1751 TIMING: 217600 CPU: 678.676, 0.0030903/step Wall: 678.676, 0.0030903/step, 4.10529 hours remaining, 234.535156 MB of memory in use. ENERGY: 217600 3934.8076 20627.0122 14510.4351 244.3775 -202759.5246 2755.9104 0.0000 0.0000 52100.7616 -108586.2201 299.4238 -160686.9817 -108228.7579 299.7982 -105.8823 -73.3696 764390.2792 8.5997 8.3903 PRESSURE: 217800 87.4487 -93.7481 277.312 -93.7478 -167.51 117.55 277.312 117.55 185.14 GPRESSURE: 217800 86.9175 -152.833 187.755 -61.3092 -116.3 301.364 222.434 178.358 212.157 PRESSAVG: 217800 19.5491 13.6549 21.9746 13.6549 -14.773 35.2728 21.9746 35.2727 -31.9739 GPRESSAVG: 217800 20.1956 14.0201 22.0767 13.1762 -14.689 36.163 20.7023 34.1455 -31.9208 TIMING: 217800 CPU: 679.295, 0.00309048/step Wall: 679.295, 0.00309048/step, 4.10536 hours remaining, 234.535156 MB of memory in use. ENERGY: 217800 3910.5670 20511.3103 14585.9429 244.0437 -202811.7591 2909.3493 0.0000 0.0000 52136.2262 -108514.3196 299.6276 -160650.5458 -108156.6164 299.6201 35.0265 60.9248 765142.4439 -9.0659 -8.8048 PRESSURE: 218000 -102.375 43.8607 -164.691 43.8613 298.828 83.3887 -164.69 83.3877 -235.892 GPRESSURE: 218000 -61.6958 60.531 -218.89 108.347 268.311 116.8 -99.4739 -14.8355 -178.473 PRESSAVG: 218000 0.786273 34.5904 -12.5022 34.5904 31.7425 -23.999 -12.5023 -23.999 10.4975 GPRESSAVG: 218000 0.0254294 33.3326 -11.8548 34.6454 31.7263 -24.7228 -10.8976 -24.3853 11.3686 TIMING: 218000 CPU: 679.914, 0.00309673/step Wall: 679.914, 0.00309673/step, 4.11349 hours remaining, 234.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 218000 3993.2101 20540.8853 14439.8199 255.2085 -202616.3132 2861.7194 0.0000 0.0000 52209.0782 -108316.3918 300.0463 -160525.4700 -107960.3541 299.4244 -13.1465 9.3805 763869.8090 14.3421 14.3734 PRESSURE: 218200 -243.509 75.9518 -177.582 75.9519 -228.157 -111.288 -177.582 -111.287 -223.888 GPRESSURE: 218200 -253.93 -10.9791 -97.235 115.212 -232 -204.891 -193.018 -77.5529 -145.508 PRESSAVG: 218200 42.3825 37.6221 -36.2438 37.6221 -30.5722 -18.4213 -36.2438 -18.4212 2.7619 GPRESSAVG: 218200 42.7376 37.8128 -38.0879 36.8208 -31.0854 -18.0363 -36.5036 -16.9038 3.09279 TIMING: 218200 CPU: 680.534, 0.00309924/step Wall: 680.534, 0.00309924/step, 4.11666 hours remaining, 234.535156 MB of memory in use. ENERGY: 218200 3988.8908 20573.5039 14527.7902 258.7265 -202671.6405 2929.2708 0.0000 0.0000 52100.4767 -108292.9817 299.4222 -160393.4584 -107927.5067 299.9104 -231.8514 -210.4794 765967.5456 4.8574 4.9150 PRESSURE: 218400 64.2533 -156.888 -3.44062 -156.887 9.50079 143.689 -3.44108 143.69 218.094 GPRESSURE: 218400 86.2538 -118.998 -25.6599 -196.634 27.6068 102.079 61.0116 91.0394 268.811 PRESSAVG: 218400 30.2805 36.8404 -3.91946 36.8405 -75.7569 16.0942 -3.91937 16.0942 6.99915 GPRESSAVG: 218400 29.7995 39.2373 -3.71375 35.5269 -74.9973 17.1478 -5.71915 12.8769 6.55548 TIMING: 218400 CPU: 681.154, 0.00309998/step Wall: 681.154, 0.00309998/step, 4.11746 hours remaining, 234.535156 MB of memory in use. ENERGY: 218400 3988.0018 20491.5292 14409.2192 256.3476 -202848.7522 3054.8626 0.0000 0.0000 52263.2629 -108385.5289 300.3577 -160648.7919 -108019.2983 300.0098 97.2826 127.5573 765411.1318 -12.8258 -12.8808 PRESSURE: 218600 252.591 44.4703 -197.592 44.4714 137.943 26.1662 -197.591 26.166 252.214 GPRESSURE: 218600 294.183 66.1818 -230.133 43.2303 158.448 40.241 -134.064 91.5133 261.055 PRESSAVG: 218600 31.593 -6.88018 7.20286 -6.88027 3.66934 1.79905 7.20283 1.79907 -4.77869 GPRESSAVG: 218600 31.8591 -7.6979 8.08362 -5.82217 3.49235 1.82927 9.50104 2.90875 -4.36161 TIMING: 218600 CPU: 681.774, 0.00310199/step Wall: 681.774, 0.003102/step, 4.11997 hours remaining, 234.535156 MB of memory in use. ENERGY: 218600 3902.9430 20532.8256 14448.0762 263.5695 -202964.6086 3140.7513 0.0000 0.0000 52059.0236 -108617.4194 299.1839 -160676.4431 -108255.7753 299.3753 214.2492 237.8953 762882.5580 10.1612 10.3300 PRESSURE: 218800 -306.967 99.7272 -214.461 99.7264 1.04825 -0.321015 -214.46 -0.321306 -290.871 GPRESSURE: 218800 -194.241 28.279 -139.298 67.367 -82.3789 -57.9269 -178.339 37.8872 -257.464 PRESSAVG: 218800 104.071 1.86311 -39.7289 1.8631 -68.9227 5.91893 -39.7289 5.91897 6.92844 GPRESSAVG: 218800 104.81 1.12355 -40.2036 2.25342 -69.4981 5.34652 -39.3986 6.72293 6.58116 TIMING: 218800 CPU: 682.397, 0.00311363/step Wall: 682.397, 0.00311363/step, 4.13524 hours remaining, 234.535156 MB of memory in use. ENERGY: 218800 4024.9952 20542.7288 14527.5231 248.6626 -202475.8301 2716.9919 0.0000 0.0000 51933.6459 -108481.2826 298.4634 -160414.9285 -108109.3058 299.5306 -198.9300 -178.0281 765318.0526 14.0256 13.9645 PRESSURE: 219000 -142.586 1.34106 -56.5392 1.34062 -174.691 -187.014 -56.5398 -187.014 307.682 GPRESSURE: 219000 -43.7446 64.2555 16.3401 -131.003 -162.713 -118.184 109.732 -153.006 272.067 PRESSAVG: 219000 5.33639 -25.3711 15.2828 -25.3711 -33.8529 -6.70871 15.2828 -6.7086 4.80217 GPRESSAVG: 219000 3.52846 -27.5321 15.5985 -24.9907 -33.8298 -5.83883 17.4099 -7.63053 6.32785 TIMING: 219000 CPU: 683.019, 0.00310976/step Wall: 683.019, 0.00310976/step, 4.12993 hours remaining, 234.535156 MB of memory in use. ENERGY: 219000 3845.4292 20597.5753 14545.9814 264.1696 -202697.4643 2940.0959 0.0000 0.0000 52031.9044 -108472.3085 299.0281 -160504.2129 -108101.1453 299.5570 -3.1983 21.8697 766634.1502 -7.9048 -7.9912 PRESSURE: 219200 99.0641 -67.8604 -82.3179 -67.8598 202.013 184.731 -82.3191 184.73 148.918 GPRESSURE: 219200 160.304 -150.117 -140.444 7.78288 253.8 92.2491 -25.6057 180.458 117.976 PRESSAVG: 219200 2.0316 -0.311528 26.6738 -0.311524 24.5402 -24.7553 26.6738 -24.7553 -9.32871 GPRESSAVG: 219200 3.12246 0.279783 26.0913 0.482005 24.6698 -23.4641 24.9382 -25.6514 -10.5118 TIMING: 219200 CPU: 683.638, 0.00309565/step Wall: 683.638, 0.00309565/step, 4.11102 hours remaining, 234.535156 MB of memory in use. ENERGY: 219200 4020.1402 20335.4338 14449.1065 237.7111 -203297.0144 3108.4962 0.0000 0.0000 52348.3332 -108797.7935 300.8466 -161146.1267 -108435.9804 299.5459 149.9983 177.3597 762339.5218 5.7477 5.7602 PRESSURE: 219400 65.9969 79.2577 63.2742 79.2583 -109.658 -23.6757 63.2735 -23.6753 99.1671 GPRESSURE: 219400 58.9857 181.001 20.854 115.085 -18.1389 -6.77157 171.811 -116.164 76.5554 PRESSAVG: 219400 -25.7726 -42.0864 2.25925 -42.0864 2.72467 -71.7935 2.25926 -71.7936 5.81422 GPRESSAVG: 219400 -26.5577 -40.4601 2.70564 -43.5215 3.75591 -74.3807 2.67882 -70.6616 5.79754 TIMING: 219400 CPU: 684.258, 0.0030992/step Wall: 684.258, 0.0030992/step, 4.11556 hours remaining, 234.535156 MB of memory in use. ENERGY: 219400 3936.3768 20666.6626 14472.0116 263.1901 -203160.0038 3048.7822 0.0000 0.0000 51962.6422 -108810.3382 298.6300 -160772.9805 -108458.3174 298.9520 18.5019 39.1341 766072.3392 -5.7446 -5.6681 PRESSURE: 219600 -41.7918 141.874 -95.0763 141.873 16.1176 -48.3145 -95.0762 -48.3145 -226.828 GPRESSURE: 219600 49.3057 93.0925 -174.333 208.862 -39.9398 -61.1398 37.0006 -83.0824 -179.247 PRESSAVG: 219600 -34.4528 16.1961 15.7314 16.1961 -6.78945 -58.3426 15.7314 -58.3426 6.7572 GPRESSAVG: 219600 -33.3277 16.3959 16.301 17.1015 -8.70868 -57.5465 16.0499 -58.968 7.17241 TIMING: 219600 CPU: 684.878, 0.00309925/step Wall: 684.878, 0.00309925/step, 4.11546 hours remaining, 234.535156 MB of memory in use. ENERGY: 219600 4084.9670 20450.6402 14489.7253 264.9692 -203129.3251 3157.0931 0.0000 0.0000 51859.7299 -108822.2004 298.0386 -160681.9303 -108457.8260 298.7974 -84.1672 -56.6271 766164.5404 -11.4950 -11.6213 PRESSURE: 219800 -509.634 -219.126 11.2519 -219.126 -132.106 -162.491 11.2516 -162.489 -255.502 GPRESSURE: 219800 -484.961 -242.691 38.6672 -311.847 -65.059 -119.912 -101.646 -178.42 -267.572 PRESSAVG: 219800 13.4391 44.9524 3.71943 44.9525 51.1877 1.21531 3.71941 1.21529 -10.9068 GPRESSAVG: 219800 11.4663 46.4524 3.5248 43.2399 53.064 1.01117 1.80003 2.79633 -10.2937 TIMING: 219800 CPU: 685.498, 0.00310196/step Wall: 685.498, 0.00310196/step, 4.11888 hours remaining, 234.535156 MB of memory in use. ENERGY: 219800 3941.7999 20634.8721 14500.7710 254.5256 -202866.0948 2832.5616 0.0000 0.0000 51850.6619 -108850.9028 297.9865 -160701.5647 -108486.2075 298.6164 -299.0811 -272.5307 766535.2340 17.9067 18.0789 PRESSURE: 220000 -65.8313 -136.388 229.315 -136.388 -86.2282 55.9522 229.314 55.9513 -60.4892 GPRESSURE: 220000 -5.35345 -92.5468 101.203 -131.862 -41.4923 -40.191 298.053 83.4154 -68.2964 PRESSAVG: 220000 19.4027 13.4371 23.0143 13.4371 -6.73885 -21.7172 23.0143 -21.7171 -2.00381 GPRESSAVG: 220000 20.0919 11.4648 23.3445 13.9481 -6.48567 -20.5725 23.5199 -24.564 -2.87606 TIMING: 220000 CPU: 686.119, 0.00310426/step Wall: 686.119, 0.00310427/step, 4.12177 hours remaining, 234.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 220000 4037.8673 20448.8035 14434.0144 233.8876 -202955.5828 2918.0205 0.0000 0.0000 52201.0252 -108681.9642 300.0000 -160882.9894 -108329.5210 298.8597 -70.8496 -38.3807 764794.3604 3.5533 3.5767 PRESSURE: 220200 -269.126 47.088 172.21 47.089 -64.6932 -162.876 172.211 -162.877 119.969 GPRESSURE: 220200 -178.49 -27.0233 137.416 44.1119 -68.9317 -150.514 131.807 -126.067 98.2349 PRESSAVG: 220200 -27.696 -38.7775 -15.6114 -38.7775 -7.03105 -32.1203 -15.6114 -32.1204 20.3181 GPRESSAVG: 220200 -27.2565 -41.2799 -17.0177 -38.0592 -7.95421 -33.776 -15.1981 -28.9916 20.4082 TIMING: 220200 CPU: 686.737, 0.00309185/step Wall: 686.737, 0.00309185/step, 4.10511 hours remaining, 234.535156 MB of memory in use. ENERGY: 220200 4062.3329 20458.8208 14465.2488 266.0606 -203154.9428 3267.1459 0.0000 0.0000 52022.5623 -108612.7715 298.9744 -160635.3339 -108262.8486 299.1664 -71.2834 -49.7289 766856.9904 -4.8030 -4.9342 LDB: ============= START OF LOAD BALANCING ============== 699.214 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 699.214 LDB: =============== DONE WITH MIGRATION ================ 699.216 LDB: ============= START OF LOAD BALANCING ============== 699.525 LDB: Largest compute 7052 load 0.028573 is 14.7% of average load 0.194610 LDB: Average compute 0.004394 is 2.3% of average load 0.194610 LDB: TIME 699.528 LOAD: AVG 0.19461 MAX 0.213833 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.75 MB LDB: TIME 699.529 LOAD: AVG 0.19461 MAX 0.213833 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.75 MB LDB: TIME 699.529 LOAD: AVG 0.19461 MAX 0.213833 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.75 MB LDB: ============== END OF LOAD BALANCING =============== 699.531 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 699.535 PRESSURE: 220400 -51.505 -17.8693 -63.4049 -17.8687 -39.2785 200.437 -63.406 200.437 -304.923 GPRESSURE: 220400 -1.92023 26.793 -13.1153 66.1814 -60.637 209.085 84.4332 190.227 -266.403 PRESSAVG: 220400 31.5744 -72.002 -30.0433 -72.002 -17.4546 0.706964 -30.0433 0.706935 7.90323 GPRESSAVG: 220400 31.7847 -67.2857 -28.9779 -72.3662 -17.1432 2.14503 -29.8138 -1.11516 7.37263 TIMING: 220400 CPU: 687.37, 0.00316167/step Wall: 687.37, 0.00316167/step, 4.19765 hours remaining, 234.789062 MB of memory in use. ENERGY: 220400 3972.2862 20358.9015 14500.6265 248.6567 -202680.4681 2527.2406 0.0000 0.0000 52218.0206 -108854.7359 300.0977 -161072.7566 -108486.1828 298.9325 -131.9021 -109.6533 765302.9233 7.3410 7.3380 PRESSURE: 220600 -271.622 218.828 93.0063 218.828 -124.073 -242.687 93.0062 -242.687 -443.399 GPRESSURE: 220600 -212.674 156.272 60.6723 78.3092 -153.508 -174.028 110.293 -214.761 -393.217 PRESSAVG: 220600 11.4409 -40.3732 18.7696 -40.3732 0.310756 -31.7304 18.7697 -31.7304 27.5531 GPRESSAVG: 220600 12.3441 -41.0251 18.7395 -41.3515 -0.0745503 -32.6911 17.3949 -31.8942 27.5428 TIMING: 220600 CPU: 687.99, 0.00309963/step Wall: 687.99, 0.00309963/step, 4.1151 hours remaining, 235.109375 MB of memory in use. ENERGY: 220600 4001.4277 20630.7156 14576.9992 247.3810 -203250.9491 2869.4711 0.0000 0.0000 51926.1871 -108998.7673 298.4205 -160924.9544 -108645.7580 298.6008 -279.6981 -253.1330 765203.5189 13.1016 13.2708 PRESSURE: 220800 -60.048 -315.388 -32.0451 -315.389 -340.368 233.09 -32.0463 233.089 -792.145 GPRESSURE: 220800 -110.077 -385.334 -71.3349 -257.708 -346.876 322.976 -22.8053 128.966 -676.68 PRESSAVG: 220800 31.3891 34.2394 11.7653 34.2393 -5.969 0.10546 11.7653 0.10548 -27.2388 GPRESSAVG: 220800 30.444 31.1077 10.3419 36.7421 -4.94339 0.180442 11.892 0.358405 -26.6608 TIMING: 220800 CPU: 688.61, 0.00310016/step Wall: 688.61, 0.00310016/step, 4.11563 hours remaining, 235.179688 MB of memory in use. ENERGY: 220800 4025.2095 20572.2314 14436.2137 234.5593 -202769.8594 2773.0672 0.0000 0.0000 51966.6412 -108761.9372 298.6530 -160728.5784 -108413.2012 298.4441 -397.5205 -377.8777 767505.1104 -0.6062 -0.3867 PRESSURE: 221000 32.0501 -36.9738 81.244 -36.9727 -327.686 16.0115 81.2444 16.0127 -215.235 GPRESSURE: 221000 46.6744 -29.0776 28.9968 -151.429 -270.358 3.80447 -17.8625 53.0707 -197.386 PRESSAVG: 221000 16.8999 -47.3148 -18.6557 -47.3147 11.7954 -19.3072 -18.6557 -19.3073 -8.63628 GPRESSAVG: 221000 18.5276 -45.1394 -16.9633 -48.2473 9.88772 -18.1331 -17.7075 -19.6527 -7.81428 TIMING: 221000 CPU: 689.231, 0.00310917/step Wall: 689.231, 0.00310917/step, 4.12742 hours remaining, 235.179688 MB of memory in use. ENERGY: 221000 3963.8100 20482.6728 14507.8399 248.6904 -203102.8437 2939.5088 0.0000 0.0000 51956.5999 -109003.7219 298.5953 -160960.3218 -108631.4047 298.5975 -170.2901 -140.3565 766205.3213 6.6863 6.8670 PRESSURE: 221200 65.8367 1.22901 160.585 1.2296 27.3704 -39.2619 160.585 -39.2624 117.337 GPRESSURE: 221200 79.6402 29.0603 84.7871 18.2084 127.04 -40.9943 112.706 23.6723 108.679 PRESSAVG: 221200 -2.7285 -50.8722 23.2958 -50.8722 12.232 -31.502 23.2959 -31.502 -6.58037 GPRESSAVG: 221200 -2.69237 -49.5664 22.5138 -51.4659 12.0102 -32.1082 22.7204 -29.4029 -6.27579 TIMING: 221200 CPU: 689.855, 0.00311574/step Wall: 689.855, 0.00311574/step, 4.13597 hours remaining, 235.179688 MB of memory in use. ENERGY: 221200 4061.9470 20330.4683 14620.5983 240.4067 -203239.4340 3010.4842 0.0000 0.0000 51889.5112 -109086.0184 298.2097 -160975.5296 -108734.6809 298.4664 70.1813 105.1198 763440.8443 0.9744 1.0140 PRESSURE: 221400 211.787 95.3433 -33.4909 95.3438 266.726 -78.1656 -33.491 -78.1659 276.43 GPRESSURE: 221400 284.487 35.0746 31.9804 104.069 247.209 -97.1833 8.62963 -62.6761 298.459 PRESSAVG: 221400 22.1453 33.1101 30.0508 33.1101 -16.0546 -13.1488 30.0507 -13.1487 10.1232 GPRESSAVG: 221400 20.779 29.1436 31.3319 34.7821 -14.4859 -14.0518 29.2706 -13.6198 9.84538 TIMING: 221400 CPU: 690.477, 0.00311212/step Wall: 690.477, 0.00311212/step, 4.13099 hours remaining, 235.179688 MB of memory in use. ENERGY: 221400 4000.2269 20483.5198 14487.5631 240.9237 -202923.3646 2698.2769 0.0000 0.0000 51771.0956 -109241.7586 297.5292 -161012.8542 -108870.1809 298.1885 251.6478 276.7185 763177.2069 5.4046 5.3795 PRESSURE: 221600 207.131 -309.436 125.477 -309.436 -284.9 -120.189 125.476 -120.191 -37.2934 GPRESSURE: 221600 198.214 -276.776 129.308 -306.957 -265.642 -152.648 37.1187 -102.829 41.3017 PRESSAVG: 221600 -15.1383 -13.7599 5.97327 -13.7599 9.17636 -41.2317 5.97325 -41.2318 1.43087 GPRESSAVG: 221600 -14.2661 -12.5143 5.45389 -15.2552 8.67573 -40.4442 7.64969 -40.8166 0.41935 TIMING: 221600 CPU: 691.099, 0.00310879/step Wall: 691.099, 0.00310879/step, 4.1264 hours remaining, 235.179688 MB of memory in use. ENERGY: 221600 3996.9631 20437.0311 14478.1885 273.4838 -203076.6582 2738.2666 0.0000 0.0000 51954.8785 -109197.8466 298.5854 -161152.7251 -108842.3013 298.2156 -38.3540 -8.7086 764170.8243 -1.5104 -1.7237 PRESSURE: 221800 -247.063 -24.8921 69.8835 -24.8919 37.779 82.3423 69.8821 82.3431 222.873 GPRESSURE: 221800 -104.053 -10.6316 136.745 40.0229 -15.6471 35.9716 -1.1351 60.0175 226.017 PRESSAVG: 221800 7.39639 -30.0496 18.1133 -30.0495 -43.0336 -26.4068 18.1133 -26.4069 9.89621 GPRESSAVG: 221800 6.56869 -29.7881 18.0102 -29.8729 -42.6247 -26.4622 18.0006 -24.7863 10.2732 TIMING: 221800 CPU: 691.721, 0.00311284/step Wall: 691.721, 0.00311284/step, 4.13161 hours remaining, 235.179688 MB of memory in use. ENERGY: 221800 4023.3553 20336.0598 14533.1098 259.4230 -203255.3498 2956.7295 0.0000 0.0000 51805.2113 -109341.4611 297.7253 -161146.6724 -108986.0466 297.5489 4.5299 35.4391 764016.9934 -8.5803 -8.5943 PRESSURE: 222000 -289.626 -164.801 116.551 -164.802 -205.26 119.48 116.551 119.479 18.0411 GPRESSURE: 222000 -236.472 -123.2 121.019 -44.5267 -186.674 26.1475 65.2732 145.214 40.8496 PRESSAVG: 222000 -25.0501 -46.2698 32.056 -46.2699 -16.0532 -31.2956 32.056 -31.2957 -0.250724 GPRESSAVG: 222000 -23.2361 -45.4049 31.9589 -45.6192 -16.3254 -31.5927 32.4899 -32.2867 -1.34159 TIMING: 222000 CPU: 692.343, 0.00310951/step Wall: 692.343, 0.00310951/step, 4.12701 hours remaining, 235.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 222000 4070.8767 20519.3032 14513.6141 244.4095 -203107.1431 2831.6059 0.0000 0.0000 51559.0994 -109368.2343 296.3109 -160927.3336 -109010.1786 297.7285 -158.9482 -127.4320 762773.4503 -13.7847 -13.6344 PRESSURE: 222200 -222.19 95.19 -226.098 95.1898 -62.4773 131.867 -226.098 131.866 221.719 GPRESSURE: 222200 -170.441 140.864 -208.506 8.6172 5.57154 204.815 -305.871 -37.8858 184.795 PRESSAVG: 222200 18.0159 -9.37878 -35.6401 -9.37876 -0.850286 -38.4556 -35.6401 -38.4555 -0.584315 GPRESSAVG: 222200 17.8618 -10.668 -35.0268 -8.40602 -1.4883 -38.7431 -38.0376 -39.0766 0.0979618 TIMING: 222200 CPU: 692.964, 0.00310518/step Wall: 692.964, 0.00310518/step, 4.12109 hours remaining, 235.179688 MB of memory in use. ENERGY: 222200 3970.3917 20450.5398 14534.6576 241.1560 -203619.2749 2963.9542 0.0000 0.0000 52052.4702 -109406.1055 299.1463 -161458.5757 -109036.2394 297.8026 -20.9826 6.6420 765271.4820 5.5271 5.4905 PRESSURE: 222400 127.889 -158.121 101.388 -158.121 9.05326 147.802 101.389 147.801 167.03 GPRESSURE: 222400 124.086 -128.158 116.603 -80.8874 76.6068 120.036 31.7307 149.353 181.298 PRESSAVG: 222400 -3.40416 -2.97549 15.2804 -2.97553 -30.3447 -40.6904 15.2804 -40.6904 -27.4926 GPRESSAVG: 222400 -4.11724 -2.02566 15.2073 -2.42783 -29.6247 -39.6211 16.8802 -40.8903 -27.8157 TIMING: 222400 CPU: 693.587, 0.00311445/step Wall: 693.587, 0.00311445/step, 4.13322 hours remaining, 235.179688 MB of memory in use. ENERGY: 222400 4012.3342 20483.7434 14431.0558 268.8940 -203488.9611 3087.8946 0.0000 0.0000 51757.0342 -109448.0050 297.4484 -161205.0392 -109083.4631 297.9047 101.3243 127.3301 765609.6939 -20.4138 -20.5192 PRESSURE: 222600 -321.231 -77.4139 -2.76536 -77.4143 -279.598 150.018 -2.7652 150.017 -96.5122 GPRESSURE: 222600 -268.014 -0.246555 -65.2612 -47.1841 -250.382 199.506 163.914 23.0176 -84.5127 PRESSAVG: 222600 47.3359 21.6494 48.1365 21.6495 -3.26938 19.3594 48.1366 19.3595 21.2129 GPRESSAVG: 222600 46.6961 21.1252 48.2449 20.6175 -2.59605 18.5069 49.2899 20.124 21.4028 TIMING: 222600 CPU: 694.211, 0.0031175/step Wall: 694.211, 0.0031175/step, 4.1371 hours remaining, 235.179688 MB of memory in use. ENERGY: 222600 4094.7601 20581.7133 14517.1188 235.1709 -203348.6112 2842.8104 0.0000 0.0000 51548.2832 -109528.7544 296.2487 -161077.0376 -109181.2270 298.3711 -232.4469 -200.9697 764818.2938 21.7598 21.8343 PRESSURE: 222800 -109.306 -30.2527 -37.9949 -30.253 -73.761 184.676 -37.9951 184.676 -51.2395 GPRESSURE: 222800 -86.6829 -109.511 31.2317 -31.5481 -8.47605 83.6412 24.55 101.618 -59.5475 PRESSAVG: 222800 -38.1757 27.3063 -10.6672 27.3063 -12.0889 10.3642 -10.6672 10.3642 3.21352 GPRESSAVG: 222800 -38.1723 25.3113 -11.5288 28.009 -12.8157 11.08 -9.71014 11.0356 4.13727 TIMING: 222800 CPU: 694.838, 0.00313614/step Wall: 694.838, 0.00313614/step, 4.16166 hours remaining, 235.179688 MB of memory in use. ENERGY: 222800 4067.1199 20485.9778 14545.4251 247.2231 -203364.2715 2896.9491 0.0000 0.0000 52042.4484 -109079.1281 299.0887 -161121.5765 -108715.2182 297.9839 -78.1021 -51.5688 766379.1573 -15.6837 -15.6169 PRESSURE: 223000 87.1098 235.606 33.7797 235.605 556.794 15.2458 33.7776 15.246 166.955 GPRESSURE: 223000 142.288 242.606 36.1508 210.991 519.807 22.785 -60.279 26.9239 219.356 PRESSAVG: 223000 -33.0603 -8.2758 0.722082 -8.27578 1.82556 13.1323 0.722104 13.1324 -6.56804 GPRESSAVG: 223000 -32.0719 -6.82779 2.08601 -10.0291 1.80215 13.8052 -1.77434 10.8823 -7.45119 TIMING: 223000 CPU: 695.465, 0.00313342/step Wall: 695.465, 0.00313342/step, 4.15788 hours remaining, 235.179688 MB of memory in use. ENERGY: 223000 4005.7310 20585.5373 14550.0742 262.5994 -203526.7360 3423.8891 0.0000 0.0000 51844.8039 -108854.1009 297.9528 -160698.9048 -108492.4604 298.8507 270.2864 293.8171 764013.7717 -12.6009 -12.5736 PRESSURE: 223200 15.2319 109.112 -143.356 109.112 -269.96 -78.6075 -143.356 -78.6064 -339.547 GPRESSURE: 223200 40.5336 19.2397 -226.725 179.762 -188.625 -17.235 -112.559 -72.8733 -341.365 PRESSAVG: 223200 -60.9314 39.2073 -6.80985 39.2073 47.321 8.05341 -6.80986 8.05343 -12.8944 GPRESSAVG: 223200 -62.9705 39.2592 -7.57261 39.4373 48.9259 9.5698 -5.79494 8.58079 -12.6559 TIMING: 223200 CPU: 696.09, 0.00312609/step Wall: 696.09, 0.00312609/step, 4.14798 hours remaining, 235.179688 MB of memory in use. ENERGY: 223200 4069.4451 20146.4687 14512.4575 256.7595 -203045.5606 2933.8346 0.0000 0.0000 52124.9675 -109001.6278 299.5629 -161126.5953 -108633.0534 298.7430 -198.0916 -163.1519 763731.5622 -8.8349 -8.9002 PRESSURE: 223400 -257.482 252.48 55.7485 252.481 -159.164 328.806 55.7489 328.805 225.979 GPRESSURE: 223400 -125.031 145.203 -18.4648 232.723 -165.293 360.785 -5.50515 369.514 189.779 PRESSAVG: 223400 -10.095 20.4815 54.4949 20.4815 -1.95903 53.5525 54.4949 53.5526 0.199888 GPRESSAVG: 223400 -7.65891 21.3661 54.2117 21.6202 -2.97165 52.4712 52.681 52.431 -0.888715 TIMING: 223400 CPU: 696.714, 0.00312036/step Wall: 696.714, 0.00312036/step, 4.1402 hours remaining, 235.179688 MB of memory in use. ENERGY: 223400 4013.5785 20483.4258 14502.0292 223.9473 -202932.9079 2894.0905 0.0000 0.0000 51863.4458 -108952.3908 298.0599 -160815.8365 -108598.2636 298.5576 -63.5556 -33.5151 764494.8270 -3.9514 -3.8398 PRESSURE: 223600 120.848 13.3162 168.363 13.3158 -53.1195 250.845 168.363 250.845 492.471 GPRESSURE: 223600 152.084 62.2719 257.736 13.7166 -28.4804 162.012 132.238 260.279 532.134 PRESSAVG: 223600 103.539 -4.04495 -26.2262 -4.04489 -52.3085 -13.4157 -26.2261 -13.4157 8.44144 GPRESSAVG: 223600 102.627 -3.33586 -25.5872 -6.15425 -51.3924 -15.5408 -27.0387 -11.9871 8.89434 TIMING: 223600 CPU: 697.335, 0.00310361/step Wall: 697.335, 0.00310361/step, 4.1178 hours remaining, 235.179688 MB of memory in use. ENERGY: 223600 4006.4590 20372.9423 14465.9031 238.3832 -203106.4707 2803.9355 0.0000 0.0000 52176.1332 -109042.7145 299.8570 -161218.8477 -108681.7751 298.5577 186.7333 218.5792 763751.7866 19.8907 20.0431 PRESSURE: 223800 173.991 115.733 26.6712 115.733 -83.0102 53.6297 26.6716 53.63 -141.249 GPRESSURE: 223800 173.55 49.0845 -33.0548 78.0471 15.5682 -10.261 -21.1834 90.0067 -150.558 PRESSAVG: 223800 32.9265 2.7022 -20.8264 2.70226 -23.0203 -23.4745 -20.8264 -23.4744 -12.8588 GPRESSAVG: 223800 33.1694 2.91637 -22.2321 2.55957 -23.8839 -22.2726 -16.1724 -23.6428 -12.0117 TIMING: 223800 CPU: 697.957, 0.00311418/step Wall: 697.957, 0.00311418/step, 4.13165 hours remaining, 235.179688 MB of memory in use. ENERGY: 223800 4013.5385 20763.2686 14497.6113 258.8617 -202923.8114 2896.1535 0.0000 0.0000 51762.0413 -108732.3366 297.4772 -160494.3779 -108382.0659 298.8699 -16.7559 12.8534 764620.8763 -0.9842 -0.9087 PRESSURE: 224000 146.664 188.143 -163.436 188.143 -109.778 45.2591 -163.436 45.2585 -185.794 GPRESSURE: 224000 152.072 138.85 -98.1013 134.564 -74.3099 93.206 -74.1233 -11.635 -138.907 PRESSAVG: 224000 31.1303 44.1883 -11.744 44.1883 -19.0752 -5.60443 -11.744 -5.60442 13.6369 GPRESSAVG: 224000 31.4494 43.1796 -11.1724 43.8496 -19.7394 -4.68634 -16.0604 -5.79325 14.0093 TIMING: 224000 CPU: 698.584, 0.00313075/step Wall: 698.584, 0.00313075/step, 4.15346 hours remaining, 235.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 224000 4005.8079 20533.6397 14414.7113 250.7289 -202865.6962 2730.5859 0.0000 0.0000 51866.1401 -109064.0825 298.0754 -160930.2226 -108707.5908 298.4896 -49.6359 -20.3816 765079.9369 8.5640 8.5731 PRESSURE: 224200 -40.1294 174.479 83.2766 174.48 -60.8878 185.184 83.2765 185.184 -191.344 GPRESSURE: 224200 -7.53619 150.159 152.008 264.149 -49.1604 212.81 69.3476 83.6796 -158.782 PRESSAVG: 224200 25.1408 -2.80519 -26.309 -2.8052 -36.096 30.3031 -26.309 30.3031 -3.69784 GPRESSAVG: 224200 25.0677 -3.39766 -26.7038 -1.11511 -35.9513 29.3115 -25.7867 31.7984 -3.53209 TIMING: 224200 CPU: 699.208, 0.00312012/step Wall: 699.208, 0.00312012/step, 4.13918 hours remaining, 235.179688 MB of memory in use. ENERGY: 224200 3996.4444 20571.4985 14493.8502 260.7866 -202785.9169 2629.5750 0.0000 0.0000 51782.8148 -109050.9472 297.5965 -160833.7621 -108702.0721 298.3141 -97.4538 -71.8260 764939.2430 -4.8843 -4.8052 LDB: ============= START OF LOAD BALANCING ============== 711.685 LDB: ============== END OF LOAD BALANCING =============== 711.685 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 711.687 LDB: ============= START OF LOAD BALANCING ============== 711.998 LDB: Largest compute 7052 load 0.028730 is 14.8% of average load 0.194661 LDB: Average compute 0.004409 is 2.3% of average load 0.194661 LDB: TIME 712.002 LOAD: AVG 0.194661 MAX 0.217986 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.035 MB LDB: TIME 712.002 LOAD: AVG 0.194661 MAX 0.217986 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.035 MB LDB: TIME 712.002 LOAD: AVG 0.194661 MAX 0.215622 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.035 MB LDB: ============== END OF LOAD BALANCING =============== 712.005 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 712.01 PRESSURE: 224400 61.7521 -7.40672 88.2158 -7.40627 -100.117 103.836 88.2166 103.836 -276.736 GPRESSURE: 224400 162.563 17.4589 92.5023 -129.3 -155.657 34.9578 79.9779 81.3803 -262.211 PRESSAVG: 224400 -33.7902 -0.451645 -14.0703 -0.451608 31.6183 72.7952 -14.0703 72.7953 25.3881 GPRESSAVG: 224400 -32.6178 2.81359 -11.82 -3.51192 31.6725 73.0057 -12.8114 72.5557 24.1615 TIMING: 224400 CPU: 699.844, 0.00318103/step Wall: 699.844, 0.00318103/step, 4.21981 hours remaining, 233.804688 MB of memory in use. ENERGY: 224400 4006.2994 20636.5566 14364.8315 240.0595 -202786.5478 2916.2694 0.0000 0.0000 51526.6497 -109095.8817 296.1244 -160622.5314 -108741.5105 298.3752 -105.0336 -85.1018 766430.4314 7.7387 7.7387 PRESSURE: 224600 25.214 24.331 -35.8226 24.3305 -191.37 -169.712 -35.823 -169.712 548.361 GPRESSURE: 224600 15.8264 27.1024 -64.3507 55.475 -116.592 -100.433 19.8588 -161.237 546.942 PRESSAVG: 224600 35.984 -14.6869 -11.8874 -14.6869 -8.07568 -5.86175 -11.8874 -5.86177 -32.8546 GPRESSAVG: 224600 34.4591 -15.8183 -12.0065 -13.779 -7.34874 -3.57197 -12.5562 -8.23607 -31.9814 TIMING: 224600 CPU: 700.465, 0.0031058/step Wall: 700.465, 0.0031058/step, 4.11985 hours remaining, 234.003906 MB of memory in use. ENERGY: 224600 3904.9849 20550.9373 14391.2390 242.4208 -203006.9809 2901.0586 0.0000 0.0000 51935.1879 -109081.1525 298.4722 -161016.3404 -108730.2501 298.4526 127.4014 148.7254 764801.5012 -1.6488 -1.6237 PRESSURE: 224800 194.749 -54.4794 59.5332 -54.479 43.2419 -180.949 59.5336 -180.95 132.599 GPRESSURE: 224800 212.433 -116.651 48.2818 55.573 90.6648 -226.288 -30.176 -163.645 149.775 PRESSAVG: 224800 -8.59074 -30.5347 -11.1473 -30.5348 1.34014 28.5707 -11.1473 28.5708 -17.6235 GPRESSAVG: 224800 -8.00311 -29.0428 -13.0154 -31.7018 1.04048 25.7084 -11.3957 31.1437 -17.7637 TIMING: 224800 CPU: 701.085, 0.00309864/step Wall: 701.085, 0.00309865/step, 4.11018 hours remaining, 234.003906 MB of memory in use. ENERGY: 224800 3995.6104 20560.5797 14496.2256 246.9005 -202886.8789 2980.0055 0.0000 0.0000 51755.9345 -108851.6227 297.4421 -160607.5572 -108503.1501 298.7507 123.5301 150.9578 766520.0486 -8.2914 -8.2421 PRESSURE: 225000 -12.7515 -129.662 8.34967 -129.662 -313.972 -151.046 8.34976 -151.046 -386.081 GPRESSURE: 225000 37.9213 -186.975 -4.99594 -138.638 -312.734 -70.3466 118.261 -316.578 -370.385 PRESSAVG: 225000 9.14196 23.6647 -78.9865 23.6647 -12.0302 12.4733 -78.9866 12.4732 22.7959 GPRESSAVG: 225000 8.84958 23.2159 -79.7101 23.8877 -11.0006 12.5591 -77.8285 10.2193 22.2165 TIMING: 225000 CPU: 701.706, 0.00310516/step Wall: 701.706, 0.00310516/step, 4.11864 hours remaining, 234.003906 MB of memory in use. ENERGY: 225000 3974.9930 20547.9825 14485.7762 273.6942 -202867.9121 2661.0200 0.0000 0.0000 52018.3191 -108906.1271 298.9500 -160924.4462 -108537.5847 298.4478 -237.6015 -215.0659 765728.1467 6.6359 6.6885 PRESSURE: 225200 67.2559 -128.614 -16.6828 -128.614 128.968 -270.977 -16.683 -270.978 3.26863 GPRESSURE: 225200 118.994 -174.472 -11.4624 -132.394 140.718 -277.282 -27.3728 -131.255 7.17611 PRESSAVG: 225200 30.3387 -4.59622 -21.7097 -4.59621 -68.5417 0.369497 -21.7098 0.369476 4.89167 GPRESSAVG: 225200 30.9231 -5.83178 -20.7988 -3.39669 -70.9502 1.12677 -21.5443 0.916783 6.04564 TIMING: 225200 CPU: 702.324, 0.00308964/step Wall: 702.324, 0.00308964/step, 4.09789 hours remaining, 234.003906 MB of memory in use. ENERGY: 225200 4021.7916 20464.6857 14486.6132 240.3694 -202992.7992 2989.0694 0.0000 0.0000 52051.3878 -108738.8820 299.1400 -160790.2699 -108378.7160 299.2040 66.4975 88.9628 765548.1973 -11.1038 -11.3271 PRESSURE: 225400 -229.122 -75.9758 9.455 -75.9755 -172.156 -163.987 9.45597 -163.986 -601.728 GPRESSURE: 225400 -252.351 -142.156 -15.9853 26.3315 -148.909 -146.27 39.8351 -164.908 -503.855 PRESSAVG: 225400 6.84203 -2.24133 15.1539 -2.24134 -11.1395 -5.8473 15.1538 -5.84722 7.28687 GPRESSAVG: 225400 7.70254 -0.988828 17.0737 -2.27406 -10.5048 -7.62572 13.4655 -5.20181 5.66807 TIMING: 225400 CPU: 702.941, 0.00308697/step Wall: 702.941, 0.00308697/step, 4.09418 hours remaining, 234.003906 MB of memory in use. ENERGY: 225400 4000.8515 20486.0029 14488.9455 249.5644 -202823.0499 2789.4420 0.0000 0.0000 52184.8933 -108623.3503 299.9073 -160808.2436 -108269.8821 299.3927 -334.3355 -301.7047 766045.5154 0.9965 0.9553 PRESSURE: 225600 -91.2774 22.1077 -172.174 22.1084 -9.41855 -35.2274 -172.174 -35.2278 -68.2474 GPRESSURE: 225600 -41.1309 94.8884 -111.938 -5.48933 23.6866 86.3969 -207.838 -70.9858 -75.6915 PRESSAVG: 225600 7.45257 -48.6399 -28.6592 -48.6399 31.2492 -51.898 -28.6591 -51.8979 7.02461 GPRESSAVG: 225600 4.51755 -47.7437 -28.6025 -48.3214 31.8354 -49.222 -27.1802 -54.2673 8.73065 TIMING: 225600 CPU: 703.561, 0.00309922/step Wall: 703.561, 0.00309922/step, 4.11026 hours remaining, 234.003906 MB of memory in use. ENERGY: 225600 4057.8762 20573.8305 14460.6227 252.2807 -202933.2215 2729.6168 0.0000 0.0000 51988.7225 -108870.2721 298.7799 -160858.9946 -108512.2920 299.6420 -56.3144 -31.0453 762657.5889 15.2421 15.0279 PRESSURE: 225800 244.708 183.257 364.933 183.257 179.164 -267.894 364.933 -267.893 -91.6693 GPRESSURE: 225800 240.525 139.577 257.074 291.835 152.868 -329.217 478.352 -258.222 26.0769 PRESSAVG: 225800 19.0231 -3.39936 12.9737 -3.39932 -17.1234 -37.9257 12.9736 -37.9257 23.7576 GPRESSAVG: 225800 20.5967 -4.01933 10.4156 -2.19545 -18.8453 -39.5488 14.0795 -35.388 23.6517 TIMING: 225800 CPU: 704.181, 0.0030985/step Wall: 704.181, 0.0030985/step, 4.10913 hours remaining, 234.003906 MB of memory in use. ENERGY: 225800 4018.0465 20540.3027 14539.9790 251.9229 -203065.1267 2799.4338 0.0000 0.0000 52117.5886 -108797.8531 299.5205 -160915.4417 -108435.1320 299.1407 110.7341 139.8233 763047.0663 8.5524 8.4677 PRESSURE: 226000 -93.1231 159.652 97.5655 159.652 -144.77 -128.033 97.5651 -128.033 -17.2964 GPRESSURE: 226000 1.64335 45.9909 136.759 -15.6381 -144.618 -43.0222 41.7566 -162.482 -20.93 PRESSAVG: 226000 -93.7961 46.322 19.0708 46.3219 87.8893 -40.2283 19.0708 -40.2283 0.692305 GPRESSAVG: 226000 -94.0747 45.2028 18.3848 45.3125 88.9683 -39.6007 18.4756 -39.9379 -0.344405 TIMING: 226000 CPU: 704.802, 0.00310642/step Wall: 704.802, 0.00310642/step, 4.11946 hours remaining, 234.003906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 226000 4083.7869 20450.6488 14443.7781 245.2700 -203287.5990 2877.4902 0.0000 0.0000 52211.7096 -108974.9154 300.0614 -161186.6250 -108610.6075 299.0566 -85.0631 -54.6349 763352.9544 -1.7382 -1.8169 PRESSURE: 226200 304.568 -110.878 -187.57 -110.879 -88.9985 289.629 -187.569 289.628 -172.997 GPRESSURE: 226200 340.77 -69.5017 -151.803 -40.9584 -10.6845 333.239 -121.948 238.385 -221.67 PRESSAVG: 226200 -16.1162 -31.4835 47.4495 -31.4835 10.0871 -20.5592 47.4496 -20.5592 7.62363 GPRESSAVG: 226200 -16.3106 -29.9937 49.1777 -31.837 11.0041 -20.7583 45.9951 -19.3405 7.4773 TIMING: 226200 CPU: 705.421, 0.00309578/step Wall: 705.421, 0.00309578/step, 4.10518 hours remaining, 234.003906 MB of memory in use. ENERGY: 226200 3934.8556 20543.4391 14393.6582 235.3638 -203070.1281 3024.8391 0.0000 0.0000 51987.1491 -108950.8233 298.7709 -160937.9724 -108604.4646 299.2050 14.1907 36.1386 763847.0845 0.5315 0.7236 PRESSURE: 226400 -157.789 224.576 34.9135 224.576 50.3321 166.308 34.9145 166.308 -127.406 GPRESSURE: 226400 -106.316 166.894 137.166 200.812 39.0605 195.103 20.4637 238.486 -86.6085 PRESSAVG: 226400 -17.3113 -2.37504 7.02318 -2.37504 23.5644 -2.29873 7.02321 -2.29879 -5.36128 GPRESSAVG: 226400 -17.8542 -2.88867 7.41505 -1.80379 22.612 -3.85322 8.56521 -5.1022 -4.15813 TIMING: 226400 CPU: 706.039, 0.00308835/step Wall: 706.039, 0.00308835/step, 4.09515 hours remaining, 234.003906 MB of memory in use. ENERGY: 226400 3991.8855 20647.8437 14495.7986 227.2388 -203063.1291 2863.7851 0.0000 0.0000 51868.3514 -108968.2258 298.0881 -160836.5773 -108618.6652 299.0672 -78.2876 -51.2881 765722.0528 0.2973 0.1999 PRESSURE: 226600 6.46956 -32.899 -98.9675 -32.8985 106.235 -62.3129 -98.9679 -62.3141 89.9461 GPRESSURE: 226600 68.1286 45.539 -46.992 -110.146 140.948 -8.05739 -177.596 -140.77 66.5979 PRESSAVG: 226600 -15.3572 -14.3088 13.21 -14.3088 67.0144 12.3698 13.21 12.3698 -8.01843 GPRESSAVG: 226600 -15.2328 -13.5999 12.3209 -13.9943 67.3422 14.9924 13.0395 13.3992 -8.99109 TIMING: 226600 CPU: 706.66, 0.00310508/step Wall: 706.66, 0.00310508/step, 4.11717 hours remaining, 234.003906 MB of memory in use. ENERGY: 226600 3958.8984 20613.3048 14454.3066 261.3878 -203263.1538 2957.8937 0.0000 0.0000 52066.5395 -108950.8231 299.2271 -161017.3626 -108596.7957 299.0625 67.5503 91.8915 763697.7318 14.5463 14.3727 PRESSURE: 226800 -219.089 -63.4395 -118.437 -63.4392 -39.7777 86.9737 -118.438 86.9728 17.6654 GPRESSURE: 226800 -131.927 -20.5921 -64.7419 15.1134 -65.683 98.4876 -153.789 110.06 43.738 PRESSAVG: 226800 -15.3042 -17.8302 -9.53135 -17.8302 29.9806 -9.19876 -9.53131 -9.19875 11.0296 GPRESSAVG: 226800 -15.2606 -17.9218 -8.68787 -17.6309 29.6694 -12.0278 -10.757 -8.80291 11.7545 TIMING: 226800 CPU: 707.281, 0.0031058/step Wall: 707.281, 0.0031058/step, 4.11795 hours remaining, 234.003906 MB of memory in use. ENERGY: 226800 3982.9799 20589.3315 14525.4058 250.4547 -202921.2185 2816.7744 0.0000 0.0000 51774.0624 -108982.2098 297.5462 -160756.2722 -108624.0181 299.3565 -80.4003 -51.2908 763969.1591 8.5686 8.7211 PRESSURE: 227000 179.401 25.4026 51.7282 25.402 257.296 175.391 51.7284 175.391 -119.674 GPRESSURE: 227000 236.529 -15.6574 96.2285 154.177 257.503 147.868 74.5497 204.375 -102.436 PRESSAVG: 227000 -62.9154 -7.3306 4.36972 -7.3306 26.2488 -49.2579 4.36977 -49.2579 1.61431 GPRESSAVG: 227000 -62.2153 -8.36764 4.87694 -8.17981 25.5252 -46.7486 6.38418 -51.1183 2.08647 TIMING: 227000 CPU: 707.901, 0.00310037/step Wall: 707.901, 0.00310037/step, 4.11057 hours remaining, 234.003906 MB of memory in use. ENERGY: 227000 3972.5011 20691.4719 14484.5446 244.6846 -203283.2127 3145.3417 0.0000 0.0000 51759.7903 -108984.8786 297.4642 -160744.6689 -108625.6769 298.6723 105.6744 130.5321 764710.0812 -11.6841 -11.5345 PRESSURE: 227200 441.787 157.152 190.762 157.152 23.6381 152.743 190.762 152.742 195.396 GPRESSURE: 227200 517.35 189.59 60.5147 219.664 79.263 180.35 149.316 173.243 137.937 PRESSAVG: 227200 27.7384 -36.205 44.3495 -36.205 -14.8372 -27.0282 44.3495 -27.0281 0.230426 GPRESSAVG: 227200 28.4945 -34.807 41.9953 -37.3417 -14.1246 -29.2304 44.0245 -25.072 -0.910352 TIMING: 227200 CPU: 708.52, 0.00309575/step Wall: 708.52, 0.00309575/step, 4.10428 hours remaining, 234.003906 MB of memory in use. ENERGY: 227200 3929.5047 20710.3286 14444.5453 245.4935 -203168.9065 2993.7361 0.0000 0.0000 51681.4912 -109163.8071 297.0142 -160845.2982 -108804.0899 298.5075 220.2735 244.8498 764774.8233 4.3772 4.4865 PRESSURE: 227400 129.607 10.0853 -145.814 10.085 -23.8622 -15.5756 -145.813 -15.576 282.369 GPRESSURE: 227400 230.598 142.35 -141.108 55.6556 50.0467 30.3475 -212.326 -145.351 206.05 PRESSAVG: 227400 -0.724563 22.8974 28.6816 22.8974 28.9757 -27.401 28.6816 -27.4009 7.7114 GPRESSAVG: 227400 -0.418146 24.0424 29.7979 20.9459 27.876 -27.415 27.7357 -28.4531 8.20793 TIMING: 227400 CPU: 709.143, 0.00311253/step Wall: 709.143, 0.00311253/step, 4.12636 hours remaining, 234.003906 MB of memory in use. ENERGY: 227400 3984.5450 20488.1248 14466.9651 232.8944 -203208.4480 3069.1890 0.0000 0.0000 51970.6909 -108996.0387 298.6763 -160966.7296 -108634.6215 298.5843 129.3711 162.2318 764242.6329 11.9875 11.8886 PRESSURE: 227600 -508.037 -202.003 -97.7974 -202.002 49.8407 -28.6076 -97.7981 -28.6062 -254.234 GPRESSURE: 227600 -485.377 -156.386 -81.7225 -174.393 74.4921 89.1658 -39.2189 -137.945 -212.664 PRESSAVG: 227600 -13.9486 -21.19 -4.42598 -21.19 10.8549 -4.13445 -4.42598 -4.13442 6.22274 GPRESSAVG: 227600 -17.3383 -23.4268 -5.84182 -17.5145 13.0294 -2.62844 -4.43752 -4.91849 6.95316 TIMING: 227600 CPU: 709.762, 0.00309942/step Wall: 709.762, 0.00309942/step, 4.1088 hours remaining, 234.003906 MB of memory in use. ENERGY: 227600 4003.8470 20642.6246 14528.2766 278.6112 -203356.4742 2725.2127 0.0000 0.0000 52051.8806 -109126.0215 299.1429 -161177.9021 -108766.2597 298.9457 -237.4768 -207.8496 764029.9554 1.0430 0.8814 PRESSURE: 227800 70.9804 152.335 69.4691 152.335 -220.956 -120.363 69.4701 -120.362 -189.717 GPRESSURE: 227800 97.5487 -46.7864 11.0259 49.8869 -148.898 -95.9594 73.6196 -3.62132 -219.073 PRESSAVG: 227800 -15.517 10.4411 46.3111 10.4411 15.9781 -40.1533 46.3111 -40.1533 26.8202 GPRESSAVG: 227800 -14.5154 9.774 45.9957 9.56389 16.3305 -40.9149 47.091 -39.7452 25.5604 TIMING: 227800 CPU: 710.381, 0.00309511/step Wall: 710.381, 0.00309511/step, 4.10291 hours remaining, 234.003906 MB of memory in use. ENERGY: 227800 3972.2704 20777.6003 14495.8576 246.8420 -202906.9612 2454.4704 0.0000 0.0000 51778.6134 -109181.3071 297.5724 -160959.9204 -108827.8209 298.4669 -113.2308 -90.1407 763912.7373 9.0938 9.1252 PRESSURE: 228000 -306.033 -140.862 -285.432 -140.861 -400.625 81.0398 -285.431 81.0399 -326.776 GPRESSURE: 228000 -370.006 -218.144 -249.961 -50.1314 -286.352 62.8477 -282.042 142.943 -285.573 PRESSAVG: 228000 -34.3666 13.3919 2.94561 13.3919 27.54 4.22208 2.94568 4.22205 7.26479 GPRESSAVG: 228000 -35.5722 13.5151 5.59098 13.9699 26.7313 3.90767 3.64334 4.98208 9.23184 TIMING: 228000 CPU: 711.001, 0.00309646/step Wall: 711.001, 0.00309646/step, 4.10453 hours remaining, 234.003906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 228000 4083.1917 20729.3981 14461.7467 240.5671 -203132.1260 2614.0214 0.0000 0.0000 51836.1340 -109167.0670 297.9030 -161003.2010 -108802.1474 298.5369 -344.4780 -313.9769 765200.5741 0.1461 0.1303 PRESSURE: 228200 21.0322 -272.968 152.177 -272.968 -67.8852 -57.6789 152.177 -57.6799 363.236 GPRESSURE: 228200 17.8635 -192.107 140.796 -144.284 -58.2052 -91.4152 56.0604 -31.0209 416.144 PRESSAVG: 228200 10.7576 -61.4553 -6.06763 -61.4554 -19.6031 -25.7796 -6.06761 -25.7796 -21.5544 GPRESSAVG: 228200 11.8331 -59.8332 -8.13408 -61.8469 -19.3305 -26.8583 -8.05889 -26.4071 -22.7773 TIMING: 228200 CPU: 711.62, 0.00309869/step Wall: 711.62, 0.00309869/step, 4.10731 hours remaining, 234.003906 MB of memory in use. ENERGY: 228200 4035.6259 20420.8380 14518.8639 232.8388 -203213.9705 2946.3015 0.0000 0.0000 51951.9495 -109107.5528 298.5686 -161059.5023 -108742.3314 298.6160 105.4611 125.2674 764394.1036 -10.1333 -10.0916 LDB: ============= START OF LOAD BALANCING ============== 724.099 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 724.1 LDB: =============== DONE WITH MIGRATION ================ 724.101 LDB: ============= START OF LOAD BALANCING ============== 724.414 LDB: Largest compute 7052 load 0.029229 is 15.0% of average load 0.194622 LDB: Average compute 0.004399 is 2.3% of average load 0.194622 LDB: TIME 724.418 LOAD: AVG 0.194622 MAX 0.216362 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.773 MB LDB: TIME 724.418 LOAD: AVG 0.194622 MAX 0.216362 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.773 MB LDB: TIME 724.418 LOAD: AVG 0.194622 MAX 0.216362 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.773 MB LDB: ============== END OF LOAD BALANCING =============== 724.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 724.425 PRESSURE: 228400 -215.118 159.125 -62.4932 159.125 -194.34 184.593 -62.4934 184.593 170.82 GPRESSURE: 228400 -153.554 84.8845 -31.9131 109.973 -165.919 173.406 45.828 240.229 161.81 PRESSAVG: 228400 -39.4858 -60.514 7.22748 -60.514 40.4385 39.2219 7.22748 39.2219 -6.50644 GPRESSAVG: 228400 -39.4875 -63.236 8.23078 -61.7966 39.8698 40.7086 8.8382 40.9528 -5.67194 TIMING: 228400 CPU: 712.259, 0.00319347/step Wall: 712.259, 0.00319347/step, 4.23277 hours remaining, 234.039062 MB of memory in use. ENERGY: 228400 3976.6239 20485.5024 14477.2661 252.3093 -203397.1742 2929.4249 0.0000 0.0000 52138.1702 -109137.8774 299.6388 -161276.0475 -108766.0728 298.6171 -79.5459 -52.5541 765934.7179 -1.8512 -1.7632 PRESSURE: 228600 -201.613 14.1688 -66.2283 14.1688 -100.539 -209.879 -66.2276 -209.879 -474.303 GPRESSURE: 228600 -142.959 -32.8468 -57.9701 -63.4685 -110.161 -142.423 -38.9339 -90.0022 -433.853 PRESSAVG: 228600 -26.7418 -71.0483 -30.3178 -71.0483 28.9279 17.111 -30.3178 17.1111 -12.2202 GPRESSAVG: 228600 -25.981 -70.6036 -30.8056 -70.789 29.4681 18.2729 -30.0479 16.3336 -13.6871 TIMING: 228600 CPU: 712.88, 0.00310453/step Wall: 712.88, 0.00310453/step, 4.11471 hours remaining, 234.039062 MB of memory in use. ENERGY: 228600 4029.5191 20569.7955 14509.9608 271.0641 -203478.1540 3125.2477 0.0000 0.0000 51897.0873 -109075.4796 298.2533 -160972.5668 -108718.9710 298.8117 -258.8182 -228.9910 764666.4338 -3.3447 -3.4000 PRESSURE: 228800 -67.5509 -39.6975 84.3006 -39.697 306.041 140.533 84.3013 140.534 81.4602 GPRESSURE: 228800 26.7402 -63.0791 14.7211 5.00221 354.416 150.788 23.2072 189.731 21.9885 PRESSAVG: 228800 -43.5797 -42.1165 -14.5078 -42.1165 9.5415 -5.65213 -14.5078 -5.65217 12.1944 GPRESSAVG: 228800 -43.2835 -39.6462 -14.0293 -43.2253 8.16559 -4.93297 -15.3933 -3.8149 13.4994 TIMING: 228800 CPU: 713.501, 0.00310373/step Wall: 713.501, 0.00310373/step, 4.11347 hours remaining, 234.039062 MB of memory in use. ENERGY: 228800 4025.4813 20367.0894 14502.8952 239.7238 -203653.1188 3305.3696 0.0000 0.0000 51984.3207 -109228.2387 298.7546 -161212.5594 -108861.6656 298.5493 106.6502 134.3815 765321.7236 -7.2813 -7.2062 PRESSURE: 229000 -414.83 230.192 193.383 230.192 41.9726 81.7464 193.384 81.7464 93.5724 GPRESSURE: 229000 -380.201 177.423 235.937 304.204 100.686 29.9418 -1.56784 45.6946 76.0862 PRESSAVG: 229000 -10.6572 -39.2886 -27.9575 -39.2887 -9.7733 1.01987 -27.9574 1.01984 -4.00561 GPRESSAVG: 229000 -10.5658 -42.4476 -28.2891 -36.8109 -10.0974 -0.137106 -28.2756 -2.92003 -3.61415 TIMING: 229000 CPU: 714.124, 0.00311487/step Wall: 714.124, 0.00311487/step, 4.12807 hours remaining, 234.039062 MB of memory in use. ENERGY: 229000 3996.0399 20632.3723 14462.1213 219.8994 -203445.7354 2996.9274 0.0000 0.0000 51790.6369 -109347.7383 297.6415 -161138.3752 -108982.9765 297.9573 -93.0952 -67.8096 765600.4599 -8.1454 -8.0924 PRESSURE: 229200 -47.2587 50.1054 -59.1317 50.1061 -54.9819 222.71 -59.1317 222.71 27.8355 GPRESSURE: 229200 -21.5159 31.7881 -77.1296 3.28475 92.9272 280.031 -201.13 183.436 -56.4755 PRESSAVG: 229200 -56.4214 -6.71444 -29.0084 -6.71444 43.1937 -0.865197 -29.0083 -0.865162 22.7326 GPRESSAVG: 229200 -56.4563 -5.70729 -29.0272 -7.6147 44.6468 0.314366 -30.2713 1.93162 21.4361 TIMING: 229200 CPU: 714.746, 0.00311085/step Wall: 714.746, 0.00311085/step, 4.12257 hours remaining, 234.039062 MB of memory in use. ENERGY: 229200 3992.8523 20289.2722 14419.5392 261.6425 -203232.9611 3106.1272 0.0000 0.0000 51938.2088 -109225.3188 298.4896 -161163.5276 -108852.4048 298.0095 -24.8017 4.9786 765227.8421 3.1683 3.2088 PRESSURE: 229400 -61.9268 -73.773 -135.213 -73.7729 132.425 -52.7238 -135.213 -52.7245 -152.489 GPRESSURE: 229400 -66.9638 -29.8691 -91.7835 -128.509 170.529 11.662 -53.5505 128.868 -141.615 PRESSAVG: 229400 58.4212 -30.7644 -18.6074 -30.7644 -51.048 -44.2921 -18.6074 -44.2921 -26.2016 GPRESSAVG: 229400 55.494 -29.6051 -17.3965 -31.9435 -51.2871 -45.2142 -15.014 -42.5022 -23.9413 TIMING: 229400 CPU: 715.368, 0.0031117/step Wall: 715.368, 0.0031117/step, 4.12352 hours remaining, 234.039062 MB of memory in use. ENERGY: 229400 3996.3211 20511.1319 14456.4460 268.4372 -203315.1588 2954.6138 0.0000 0.0000 51883.9132 -109244.2957 298.1776 -161128.2088 -108887.3429 298.4050 -27.3302 -12.6833 767085.0003 -6.2761 -6.5781 PRESSURE: 229600 -222.81 70.9447 -162.141 70.9456 -51.8715 -232.611 -162.14 -232.61 -131.357 GPRESSURE: 229600 -69.3095 127.47 -201.948 88.0229 -137.911 -250.701 -116.229 -317.897 -135.387 PRESSAVG: 229600 9.59521 6.78079 6.87642 6.78074 0.0981308 -35.5957 6.87645 -35.5957 33.149 GPRESSAVG: 229600 11.8814 7.08614 6.76538 8.4118 0.342872 -35.6298 4.45558 -39.0034 30.5251 TIMING: 229600 CPU: 715.992, 0.00311956/step Wall: 715.992, 0.00311956/step, 4.13377 hours remaining, 234.039062 MB of memory in use. ENERGY: 229600 4025.6474 20324.2609 14409.2021 257.8951 -203012.9449 2992.6501 0.0000 0.0000 51856.5353 -109146.7541 298.0202 -161003.2894 -108795.7894 297.8875 -135.3462 -114.2024 765208.0209 14.2808 14.2498 PRESSURE: 229800 301.457 -116.034 0.641858 -116.035 27.7195 -76.8258 0.641349 -76.8265 -141.031 GPRESSURE: 229800 346.961 -51.0212 54.0336 -109.008 26.6707 -50.7936 -27.2632 6.33247 -97.747 PRESSAVG: 229800 -52.3047 -34.635 69.0076 -34.6349 61.0888 -82.0463 69.0076 -82.0463 10.0223 GPRESSAVG: 229800 -52.4531 -33.7702 67.8541 -36.0258 60.1185 -82.904 70.7409 -81.443 11.3136 TIMING: 229800 CPU: 716.613, 0.00310151/step Wall: 716.613, 0.00310151/step, 4.10967 hours remaining, 234.039062 MB of memory in use. ENERGY: 229800 4023.5090 20520.5973 14408.3832 254.4792 -203188.2730 3186.5586 0.0000 0.0000 51958.2311 -108836.5146 298.6047 -160794.7457 -108479.1054 299.0938 62.7151 91.9617 765364.5138 6.2688 6.3263 PRESSURE: 230000 -196.974 -152.733 -88.2715 -152.731 -65.6819 124.624 -88.271 124.623 -260.718 GPRESSURE: 230000 -85.7384 -175.488 -84.0027 -230.881 -72.5291 119.777 -126.14 -15.2121 -282.968 PRESSAVG: 230000 -18.8461 -51.3718 14.6916 -51.3719 21.0397 -44.3333 14.6916 -44.3333 7.02449 GPRESSAVG: 230000 -18.3186 -52.1963 15.7112 -53.1276 20.2304 -41.5227 14.2533 -44.6362 7.01862 TIMING: 230000 CPU: 717.235, 0.00311317/step Wall: 717.235, 0.00311317/step, 4.12496 hours remaining, 234.039062 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: 230000 3925.8524 20367.2982 14503.6930 250.2517 -202910.1631 2639.6079 0.0000 0.0000 52222.9100 -109000.5499 300.1258 -161223.4599 -108628.4962 298.8685 -174.4580 -147.0787 766482.4706 3.0727 2.9768 PRESSURE: 230200 -8.79729 -285.917 -135.484 -285.917 78.8119 140.615 -135.484 140.615 127.278 GPRESSURE: 230200 -7.28063 -291.112 -93.9663 -248.336 111.178 135.476 -245.833 56.1488 172.615 PRESSAVG: 230200 54.7811 -37.6374 -43.9157 -37.6374 7.91327 -16.2583 -43.9158 -16.2583 -3.79672 GPRESSAVG: 230200 54.4763 -39.258 -44.0639 -35.6851 8.66944 -19.249 -44.2636 -18.7624 -4.32675 TIMING: 230200 CPU: 717.857, 0.00310732/step Wall: 717.857, 0.00310732/step, 4.11703 hours remaining, 234.039062 MB of memory in use. ENERGY: 230200 4003.3135 20452.6630 14391.9933 261.3295 -203518.2180 3284.2896 0.0000 0.0000 52152.1736 -108972.4554 299.7193 -161124.6291 -108612.1492 298.7926 65.7641 92.1709 765008.7163 19.6325 19.6063 PRESSURE: 230400 -159.244 -9.92992 84.8983 -9.9303 -101.894 -310.368 84.8988 -310.37 102.482 GPRESSURE: 230400 -129.906 14.0832 88.9499 -69.8995 -75.1018 -299.29 72.2586 -240.301 130.365 PRESSAVG: 230400 -7.10976 -0.0865915 -55.172 -0.0866336 -26.3577 -26.7255 -55.1719 -26.7256 -6.0738 GPRESSAVG: 230400 -7.04277 0.584799 -54.8897 0.16065 -26.0766 -26.9076 -55.6537 -22.6884 -6.68287 TIMING: 230400 CPU: 718.479, 0.00311121/step Wall: 718.479, 0.00311121/step, 4.122 hours remaining, 234.039062 MB of memory in use. ENERGY: 230400 4010.2509 20643.3261 14372.4886 236.2522 -202980.0980 2760.9295 0.0000 0.0000 52082.3538 -108874.4969 299.3180 -160956.8506 -108519.3915 299.1204 -52.8854 -24.8807 764875.7898 -13.1804 -13.2674 PRESSURE: 230600 -10.0865 -20.8238 0.31582 -20.8237 -266.855 -85.605 0.315003 -85.6057 197.699 GPRESSURE: 230600 90.5069 10.9514 -67.2595 -26.2069 -128.7 -158.736 -3.79403 2.12488 50.8924 PRESSAVG: 230600 0.923141 -6.25694 -18.982 -6.25696 18.6022 -23.9132 -18.9821 -23.9132 -5.98468 GPRESSAVG: 230600 0.379683 -5.4943 -19.3689 -6.0095 18.6069 -23.3913 -17.4458 -22.8845 -4.9125 TIMING: 230600 CPU: 719.1, 0.00310354/step Wall: 719.1, 0.00310354/step, 4.11167 hours remaining, 234.039062 MB of memory in use. ENERGY: 230600 4016.5125 20491.5817 14384.0026 249.3866 -203038.7031 2814.8745 0.0000 0.0000 52029.3632 -109052.9820 299.0135 -161082.3452 -108696.6026 298.6602 -26.4143 4.2331 763003.0112 4.5135 4.6914 PRESSURE: 230800 51.3571 194.742 199.841 194.742 -53.129 -65.1326 199.84 -65.1327 -331.398 GPRESSURE: 230800 -46.4924 146.325 211.98 184.254 33.1165 -51.13 77.8236 -3.12777 -226.681 PRESSAVG: 230800 -22.6244 -4.52176 -37.1694 -4.52176 39.9399 2.79255 -37.1694 2.79262 5.51181 GPRESSAVG: 230800 -23.6742 -5.30288 -38.3221 -6.42318 40.7724 3.56055 -38.9717 2.9621 5.96658 TIMING: 230800 CPU: 719.726, 0.00313143/step Wall: 719.726, 0.00313144/step, 4.14846 hours remaining, 234.039062 MB of memory in use. ENERGY: 230800 4003.2260 20393.6055 14388.0563 238.2176 -202903.9103 2684.7360 0.0000 0.0000 52182.9516 -109013.1174 299.8961 -161196.0690 -108641.4674 298.7536 -111.0566 -80.0190 764255.4294 7.6091 7.6883 PRESSURE: 231000 -31.5763 72.8632 -160.282 72.8639 188.615 -27.3718 -160.282 -27.3723 -107.337 GPRESSURE: 231000 -13.9164 100.326 -70.6136 62.4322 222.191 -50.9615 -17.8606 -202.883 -74.2373 PRESSAVG: 231000 -24.2681 -11.7525 -35.9623 -11.7526 69.1898 -5.10429 -35.9623 -5.10423 2.73966 GPRESSAVG: 231000 -23.944 -11.8989 -35.0096 -8.20684 69.7466 -6.13452 -34.1898 -7.33761 2.01164 TIMING: 231000 CPU: 720.352, 0.00313236/step Wall: 720.352, 0.00313236/step, 4.1495 hours remaining, 234.039062 MB of memory in use. ENERGY: 231000 3938.9654 20482.7678 14441.0278 256.9642 -203031.5557 2759.5462 0.0000 0.0000 51965.6177 -109186.6666 298.6471 -161152.2843 -108822.5768 298.0153 16.5672 44.6791 764789.5287 15.8871 15.9381 PRESSURE: 231200 -188.773 -97.3132 -270.301 -97.3132 -249.985 81.6304 -270.301 81.6316 -379.468 GPRESSURE: 231200 -113.601 -58.6908 -270.075 -81.9088 -252.809 105.543 -258.575 80.5208 -392.986 PRESSAVG: 231200 -35.1044 -9.11649 20.2652 -9.11648 25.153 -22.5104 20.2653 -22.5104 -4.75616 GPRESSAVG: 231200 -34.055 -7.17793 21.9684 -11.6117 24.2421 -22.097 19.3402 -25.2859 -5.0052 TIMING: 231200 CPU: 720.979, 0.00313194/step Wall: 720.979, 0.00313194/step, 4.14878 hours remaining, 234.039062 MB of memory in use. ENERGY: 231200 3953.5654 20663.1782 14393.3764 236.1504 -203269.8238 2969.7819 0.0000 0.0000 52166.7008 -108887.0708 299.8027 -161053.7716 -108518.9897 298.4376 -272.7420 -253.1321 765025.4783 -4.9025 -4.9394 PRESSURE: 231400 41.8208 222.612 103.674 222.611 -33.9266 35.7142 103.674 35.7139 -206.48 GPRESSURE: 231400 77.6611 93.0724 55.9425 192.545 -44.9651 42.0658 128.383 -48.0364 -149.412 PRESSAVG: 231400 -80.8801 28.3694 2.65688 28.3693 88.5293 -12.3407 2.65683 -12.3407 -16.8564 GPRESSAVG: 231400 -81.3094 25.5871 0.669634 30.986 88.5021 -12.1184 3.9694 -9.60575 -16.6702 TIMING: 231400 CPU: 721.606, 0.00313685/step Wall: 721.606, 0.00313685/step, 4.15511 hours remaining, 234.039062 MB of memory in use. ENERGY: 231400 3938.0440 20507.9304 14481.9154 238.5919 -202877.4210 2910.6583 0.0000 0.0000 51929.8304 -108870.4507 298.4414 -160800.2810 -108509.1438 298.9052 -66.1953 -38.9052 764206.7010 -3.0691 -3.1591 PRESSURE: 231600 -123.992 -127.36 91.1446 -127.36 149.383 25.9215 91.1444 25.922 -88.2332 GPRESSURE: 231600 -55.4799 -23.8497 -29.1709 -149.759 94.9404 -162.521 128.642 216.432 -27.9361 PRESSAVG: 231600 1.91885 -79.5257 13.9902 -79.5257 11.878 -17.0198 13.9901 -17.0197 -25.629 GPRESSAVG: 231600 2.10256 -78.4022 15.397 -79.8227 11.2172 -16.4031 14.1015 -18.7507 -25.3637 TIMING: 231600 CPU: 722.23, 0.00311759/step Wall: 722.23, 0.00311759/step, 4.12942 hours remaining, 234.039062 MB of memory in use. ENERGY: 231600 3941.3889 20358.3586 14433.9924 239.8190 -203336.2865 3193.0684 0.0000 0.0000 52412.5673 -108757.0920 301.2157 -161169.6592 -108398.3978 299.3413 -20.9472 3.8415 763084.1845 -3.9440 -4.0147 PRESSURE: 231800 -272.65 -33.0463 -330.437 -33.0459 -417.177 -183.807 -330.437 -183.806 319.951 GPRESSURE: 231800 -210.458 -119.403 -302.528 -60.6292 -334.067 -174.088 -171.275 -172.477 245.244 PRESSAVG: 231800 -76.3857 -29.9357 47.3821 -29.9356 100.996 -3.36926 47.3821 -3.36913 17.1037 GPRESSAVG: 231800 -76.0434 -32.0876 46.0229 -29.7462 100.374 -3.84102 47.8255 -3.91636 16.8825 TIMING: 231800 CPU: 722.853, 0.00311544/step Wall: 722.853, 0.00311544/step, 4.1264 hours remaining, 234.039062 MB of memory in use. ENERGY: 231800 3905.3056 20466.8426 14483.7559 235.2156 -202776.8419 2634.1312 0.0000 0.0000 52171.6126 -108879.9786 299.8310 -161051.5912 -108526.7153 299.2619 -123.2921 -99.7602 765279.6523 13.9047 13.7376 PRESSURE: 232000 -117.929 39.5641 159.375 39.5648 127.155 98.677 159.375 98.6768 132.794 GPRESSURE: 232000 -158.211 33.8966 145.899 18.5419 252.138 61.3455 81.0235 178.629 128.348 PRESSAVG: 232000 -97.9635 -38.783 -91.4207 -38.7829 69.8652 33.5882 -91.4207 33.5882 20.8557 GPRESSAVG: 232000 -98.7093 -35.5433 -90.5929 -40.2764 70.1861 33.2635 -93.222 34.6348 21.2227 TIMING: 232000 CPU: 723.477, 0.00312312/step Wall: 723.477, 0.00312312/step, 4.1364 hours remaining, 234.039062 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: 232000 4009.9082 20578.7088 14476.4586 252.4806 -203088.3378 2906.0934 0.0000 0.0000 52132.8599 -108731.8283 299.6083 -160864.6882 -108374.6845 299.1987 47.3399 74.0918 763338.5407 -2.4142 -2.4335 PRESSURE: 232200 -220.546 1.73346 51.3555 1.73358 -460.988 -36.0138 51.3551 -36.0128 609.367 GPRESSURE: 232200 -103.733 16.4951 -38.2549 -34.988 -445.415 16.0746 201.431 -95.5269 567.203 PRESSAVG: 232200 -1.89701 -50.3772 17.1839 -50.3772 21.0573 9.07287 17.1839 9.07281 12.7549 GPRESSAVG: 232200 -2.5338 -49.939 16.0032 -52.3222 21.4124 10.2178 17.6196 8.46852 12.8021 TIMING: 232200 CPU: 724.103, 0.00312598/step Wall: 724.103, 0.00312598/step, 4.14002 hours remaining, 234.039062 MB of memory in use. ENERGY: 232200 3999.6885 20478.0355 14375.4752 247.5963 -203083.3031 3004.0370 0.0000 0.0000 51961.8282 -109016.6425 298.6253 -160978.4707 -108653.6050 298.9673 -24.0557 6.0184 763758.6925 10.6384 10.5602 LDB: ============= START OF LOAD BALANCING ============== 736.582 LDB: ============== END OF LOAD BALANCING =============== 736.582 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 736.584 LDB: ============= START OF LOAD BALANCING ============== 736.899 LDB: Largest compute 7052 load 0.028702 is 14.8% of average load 0.194576 LDB: Average compute 0.004384 is 2.3% of average load 0.194576 LDB: TIME 736.902 LOAD: AVG 0.194576 MAX 0.218211 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.582 MB LDB: TIME 736.902 LOAD: AVG 0.194576 MAX 0.218211 PROXIES: TOTAL 1223 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.582 MB LDB: TIME 736.903 LOAD: AVG 0.194576 MAX 0.215981 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.582 MB LDB: ============== END OF LOAD BALANCING =============== 736.905 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 736.909 PRESSURE: 232400 -282.215 -175.464 194.085 -175.464 -35.3316 183.599 194.086 183.6 -379.053 GPRESSURE: 232400 -294.511 -205.21 68.4885 -58.166 -51.0606 127.773 65.4119 297.289 -261.092 PRESSAVG: 232400 -52.4641 -21.9704 1.37382 -21.9703 46.9744 19.735 1.37383 19.735 -2.59663 GPRESSAVG: 232400 -51.5363 -19.6989 0.832007 -22.0243 46.6854 17.499 1.63865 21.4691 -3.14451 TIMING: 232400 CPU: 724.744, 0.00320536/step Wall: 724.744, 0.00320536/step, 4.24496 hours remaining, 234.558594 MB of memory in use. ENERGY: 232400 4072.4060 20599.2059 14456.6210 239.0634 -203209.6371 2802.7585 0.0000 0.0000 51965.1576 -109074.4248 298.6445 -161039.5824 -108705.6535 298.7262 -232.1997 -202.2213 764247.2617 -2.6955 -2.6651 PRESSURE: 232600 -171.064 -103.315 285.234 -103.316 -73.1299 -22.2809 285.234 -22.2809 -54.4419 GPRESSURE: 232600 -148.891 -111.928 308.766 -26.1721 -5.45059 -17.1204 232.947 -45.2025 -73.5334 PRESSAVG: 232600 -6.79771 -27.4348 -25.1989 -27.4347 1.70833 22.0408 -25.1989 22.0408 -6.05984 GPRESSAVG: 232600 -6.96539 -29.8423 -23.5229 -25.0845 1.06138 21.5157 -23.9079 22.4487 -5.61513 TIMING: 232600 CPU: 725.369, 0.00312726/step Wall: 725.369, 0.00312726/step, 4.14136 hours remaining, 234.835938 MB of memory in use. ENERGY: 232600 4051.2116 20486.7493 14481.7033 259.1673 -203199.5915 2815.8998 0.0000 0.0000 52075.7302 -109029.1301 299.2799 -161104.8602 -108668.5596 298.6267 -99.5453 -75.9582 764396.8942 -3.7164 -3.8397 PRESSURE: 232800 54.7495 32.528 184.41 32.528 -190.994 -59.0327 184.41 -59.0325 195.659 GPRESSURE: 232800 111.109 52.8547 182.639 106.117 -134.9 -41.1233 160.216 55.1525 160.383 PRESSAVG: 232800 1.21508 -23.6623 6.5767 -23.6623 -28.104 -19.6393 6.57674 -19.6392 7.45921 GPRESSAVG: 232800 0.866392 -24.1819 4.95724 -24.7982 -27.9039 -16.0511 7.08356 -20.9734 7.51213 TIMING: 232800 CPU: 725.992, 0.00311409/step Wall: 725.992, 0.00311409/step, 4.12375 hours remaining, 234.835938 MB of memory in use. ENERGY: 232800 4050.6053 20653.6665 14474.3068 233.4910 -202970.2951 2665.0052 0.0000 0.0000 51884.9536 -109008.2667 298.1835 -160893.2203 -108657.2903 298.6683 19.8047 45.5305 763895.2319 -6.4766 -6.5085 PRESSURE: 233000 -318.304 58.6627 14.4033 58.6626 6.62504 -114.786 14.4036 -114.785 -74.3579 GPRESSURE: 233000 -225.561 11.3661 -56.0776 59.0901 -95.837 -115.815 121.197 -52.199 -2.52513 PRESSAVG: 233000 15.7441 -0.661048 3.05479 -0.661057 5.74717 -9.32699 3.05482 -9.32697 21.1005 GPRESSAVG: 233000 17.3495 -2.09292 5.06688 2.0445 6.00716 -11.0026 1.44892 -8.99394 19.2044 TIMING: 233000 CPU: 726.615, 0.00311718/step Wall: 726.615, 0.00311718/step, 4.12767 hours remaining, 234.843750 MB of memory in use. ENERGY: 233000 4037.1775 20746.7681 14447.9627 249.4166 -203308.0903 2855.2464 0.0000 0.0000 52032.2260 -108939.2930 299.0299 -160971.5190 -108577.3066 298.9624 -128.6790 -107.9745 764631.5047 14.1972 14.1870 PRESSURE: 233200 153.033 27.098 124.996 27.099 -434.498 44.7497 124.997 44.7505 697.152 GPRESSURE: 233200 244.393 -42.6446 106.734 -12.4798 -408.22 -23.1203 57.231 246.563 657.996 PRESSAVG: 233200 6.52612 10.338 -33.7562 10.3381 -6.49619 -17.2827 -33.7563 -17.2827 26.5641 GPRESSAVG: 233200 4.79957 11.3368 -34.1596 8.30215 -6.01322 -17.6438 -33.1408 -15.1613 28.033 TIMING: 233200 CPU: 727.237, 0.00310843/step Wall: 727.237, 0.00310843/step, 4.11591 hours remaining, 234.832031 MB of memory in use. ENERGY: 233200 3936.0126 20724.9647 14395.6915 230.7146 -203165.3371 2926.9436 0.0000 0.0000 51864.1313 -109086.8788 298.0639 -160951.0101 -108723.2097 298.9540 138.5623 164.7230 764423.5371 8.8647 8.9398 PRESSURE: 233400 -221.17 -94.1798 4.28083 -94.1787 -203.548 190.738 4.28218 190.738 94.4812 GPRESSURE: 233400 -249.634 -62.2849 -61.0058 -49.1677 -154.287 141.849 39.6946 99.3025 174.692 PRESSAVG: 233400 -15.1275 -54.4511 -29.8315 -54.4511 -11.5421 18.9117 -29.8315 18.9116 2.06288 GPRESSAVG: 233400 -14.33 -56.1635 -28.1177 -53.1963 -13.0601 17.7615 -30.4279 16.8221 2.25643 TIMING: 233400 CPU: 727.859, 0.00311091/step Wall: 727.859, 0.00311091/step, 4.11901 hours remaining, 234.832031 MB of memory in use. ENERGY: 233400 3995.7674 20555.0474 14421.9789 238.9997 -203375.6498 3084.8339 0.0000 0.0000 51935.5148 -109143.5078 298.4741 -161079.0226 -108779.7721 298.6802 -110.0788 -76.4098 764384.4616 -8.2023 -8.3779 PRESSURE: 233600 150.957 -33.8896 -223.288 -33.891 108.91 -130.931 -223.287 -130.931 -234.647 GPRESSURE: 233600 137.545 -128.186 -162.045 44.4128 206.548 -59.2145 -286.406 -80.0504 -236.511 PRESSAVG: 233600 50.7051 -70.923 -14.8951 -70.923 -32.5012 56.0485 -14.895 56.0484 -2.71879 GPRESSAVG: 233600 50.5771 -69.8871 -16.8434 -69.8293 -31.7502 59.4517 -16.3345 55.444 -3.72972 TIMING: 233600 CPU: 728.483, 0.00312143/step Wall: 728.483, 0.00312143/step, 4.13278 hours remaining, 234.843750 MB of memory in use. ENERGY: 233600 4033.2864 20646.5441 14470.8891 241.8323 -202892.2882 2635.7019 0.0000 0.0000 51786.0053 -109078.0289 297.6149 -160864.0343 -108720.7173 298.2984 8.4069 35.8606 765263.5380 5.1617 5.0324 PRESSURE: 233800 -115.261 -73.4377 -20.5773 -73.4378 183.632 164.406 -20.5774 164.407 50.5536 GPRESSURE: 233800 -95.9732 -94.5663 -50.4716 -73.2618 237.468 108.128 146.701 137.658 63.3743 PRESSAVG: 233800 -17.9272 -12.6591 -6.98634 -12.6592 13.9336 -16.6789 -6.98631 -16.6789 -6.62693 GPRESSAVG: 233800 -17.9181 -10.3389 -5.87697 -14.3228 13.5771 -20.0473 -4.13191 -14.3552 -5.77276 TIMING: 233800 CPU: 729.105, 0.00310685/step Wall: 729.105, 0.00310686/step, 4.11331 hours remaining, 234.843750 MB of memory in use. ENERGY: 233800 3980.1319 20569.5052 14429.9091 255.0422 -203469.9634 3173.0627 0.0000 0.0000 51919.1778 -109143.1345 298.3802 -161062.3122 -108781.6285 298.7746 39.6418 68.2896 764785.4614 -3.5402 -3.3713 PRESSURE: 234000 -197.669 -94.427 -58.3261 -94.4273 -110.448 -168.202 -58.3257 -168.203 78.6939 GPRESSURE: 234000 -134.454 -170.267 -57.1845 -22.6304 -127.33 -164.271 18.2518 -180.162 110.266 PRESSAVG: 234000 5.27705 -35.368 58.3011 -35.368 6.20415 23.5177 58.3012 23.5177 -8.04144 GPRESSAVG: 234000 5.89899 -36.8603 58.1946 -35.4268 5.9647 25.811 56.8674 21.0518 -8.65446 TIMING: 234000 CPU: 729.724, 0.00309594/step Wall: 729.724, 0.00309594/step, 4.09868 hours remaining, 234.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 234000 3929.8176 20404.1367 14424.5575 268.9044 -203402.0810 3040.0820 0.0000 0.0000 52094.7736 -109239.8092 299.3894 -161334.5828 -108871.1919 298.1265 -76.4743 -50.5061 764528.8998 1.1466 1.0697 PRESSURE: 234200 243.329 233.842 134.797 233.842 120.031 235.899 134.796 235.9 -74.4398 GPRESSURE: 234200 242.937 185.087 107.647 113.336 120.014 256.52 105.852 147.761 17.7664 PRESSAVG: 234200 1.75279 -5.76687 41.4581 -5.76693 -19.0098 5.21835 41.4581 5.21832 -2.38863 GPRESSAVG: 234200 1.52574 -5.07092 41.5669 -8.43939 -18.9445 2.89471 41.4531 4.82009 -2.72576 TIMING: 234200 CPU: 730.346, 0.00310913/step Wall: 730.346, 0.00310913/step, 4.11598 hours remaining, 234.843750 MB of memory in use. ENERGY: 234200 4009.2262 20660.9212 14399.1648 251.4974 -203371.9591 2996.5494 0.0000 0.0000 51945.9006 -109108.6994 298.5338 -161054.6000 -108757.5581 298.5272 96.3069 126.9056 763421.9980 -6.5485 -6.7148 PRESSURE: 234400 245.401 -229.13 -338.786 -229.13 342.067 -222.306 -338.786 -222.307 515.633 GPRESSURE: 234400 249.876 -212.133 -291.845 -227.328 437.435 -142.872 -213.871 -237.409 485.797 PRESSAVG: 234400 49.4788 -10.4365 -19.4241 -10.4366 -69.4394 36.8783 -19.4241 36.8783 14.6005 GPRESSAVG: 234400 50.1864 -11.2132 -18.9956 -7.8815 -69.7588 38.8176 -18.8202 37.8838 14.179 TIMING: 234400 CPU: 730.967, 0.00310546/step Wall: 730.967, 0.00310546/step, 4.11094 hours remaining, 234.843750 MB of memory in use. ENERGY: 234400 3990.8998 20587.9401 14470.4568 247.3628 -203105.6067 2875.8100 0.0000 0.0000 51827.5201 -109105.6172 297.8535 -160933.1373 -108749.8005 298.8080 367.7002 391.0362 762409.5247 -1.7867 -1.7978 PRESSURE: 234600 197.283 -44.3178 -14.4011 -44.3178 -404.64 65.7819 -14.4018 65.7804 -306.789 GPRESSURE: 234600 148.074 -104.559 -38.7791 -18.5954 -369.681 105.407 48.8445 13.0265 -218.153 PRESSAVG: 234600 23.9471 -9.24534 -20.0833 -9.24532 -26.4803 38.2438 -20.0834 38.2437 3.11545 GPRESSAVG: 234600 22.7349 -9.96004 -20.5902 -9.32549 -25.7319 38.1401 -20.4176 37.084 3.72111 TIMING: 234600 CPU: 731.589, 0.00311219/step Wall: 731.589, 0.00311219/step, 4.11968 hours remaining, 234.843750 MB of memory in use. ENERGY: 234600 3998.3472 20431.3081 14566.0318 247.2331 -203095.0300 2760.6353 0.0000 0.0000 51942.2626 -109149.2118 298.5129 -161091.4744 -108793.6936 299.1339 -171.3821 -146.5867 763982.5890 0.1941 0.2414 PRESSURE: 234800 -350.167 -178.208 57.3791 -178.208 -92.6679 19.0308 57.3794 19.0318 -319.048 GPRESSURE: 234800 -325.48 -120.598 -13.9755 -176.416 -152.614 -46.754 158.105 68.6894 -213.498 PRESSAVG: 234800 52.4694 -39.2244 -41.7169 -39.2244 -40.1349 32.1523 -41.7169 32.1523 14.4572 GPRESSAVG: 234800 53.0861 -39.2021 -40.7347 -40.4821 -40.8643 30.6122 -41.8907 34.0413 14.5618 TIMING: 234800 CPU: 732.212, 0.0031109/step Wall: 732.212, 0.0031109/step, 4.11779 hours remaining, 234.843750 MB of memory in use. ENERGY: 234800 3996.0833 20623.1585 14493.4515 251.2291 -203035.6049 2716.8839 0.0000 0.0000 51787.4915 -109167.3072 297.6234 -160954.7986 -108809.4200 298.0651 -253.9610 -230.5308 762850.1893 8.9306 8.9279 PRESSURE: 235000 -295.491 150.096 -75.6102 150.097 80.4103 -268.228 -75.6096 -268.229 -48.1561 GPRESSURE: 235000 -240.465 228.254 -93.347 181.145 124.118 -231.906 -39.6793 -409.615 -71.7922 PRESSAVG: 235000 -17.9294 -7.39304 -52.705 -7.39298 38.4329 4.63501 -52.705 4.63507 -1.6755 GPRESSAVG: 235000 -17.1513 -6.49013 -54.0446 -7.37921 37.17 6.62119 -51.3137 3.1067 -1.19836 TIMING: 235000 CPU: 732.832, 0.00310325/step Wall: 732.832, 0.00310325/step, 4.10749 hours remaining, 234.843750 MB of memory in use. ENERGY: 235000 3964.3413 20545.5373 14483.2228 256.1504 -203124.8484 2941.5218 0.0000 0.0000 52058.5450 -108875.5299 299.1812 -160934.0748 -108511.9296 299.0835 -87.7456 -62.7133 764716.4247 6.2760 6.2734 PRESSURE: 235200 108.159 65.3296 -92.3471 65.3293 -10.9613 -172.281 -92.3474 -172.282 -480.904 GPRESSURE: 235200 98.3672 -14.624 -44.4912 24.1345 45.7169 -151.398 -170.415 -114.17 -439.669 PRESSAVG: 235200 -44.1669 -4.44554 10.7342 -4.44556 58.8624 5.25612 10.7342 5.25609 27.5207 GPRESSAVG: 235200 -44.214 -4.80375 10.3179 -2.99954 60.0218 3.75096 9.40374 6.94446 27.048 TIMING: 235200 CPU: 733.453, 0.00310297/step Wall: 733.453, 0.00310297/step, 4.10696 hours remaining, 234.843750 MB of memory in use. ENERGY: 235200 4098.5228 20479.2386 14514.9559 260.2317 -203110.8181 2902.9604 0.0000 0.0000 51723.2188 -109131.6899 297.2540 -160854.9087 -108771.7768 298.5460 -127.9021 -98.5283 763867.0799 14.0721 14.2853 PRESSURE: 235400 -93.0592 99.5974 -54.218 99.5975 50.5161 16.9444 -54.2178 16.9442 109.014 GPRESSURE: 235400 -53.4019 81.6009 -117.72 139.252 128.735 -0.46524 -26.1336 91.6206 84.1828 PRESSAVG: 235400 18.6497 -25.2377 -0.661891 -25.2377 9.55062 -22.5005 -0.661903 -22.5005 8.71744 GPRESSAVG: 235400 18.9659 -27.0136 0.538798 -24.6616 9.60457 -22.9843 -0.190303 -22.4152 8.29794 TIMING: 235400 CPU: 734.076, 0.00311625/step Wall: 734.076, 0.00311625/step, 4.12436 hours remaining, 234.843750 MB of memory in use. ENERGY: 235400 3979.0001 20479.2433 14502.5691 254.6866 -202882.0226 2699.7315 0.0000 0.0000 51770.8936 -109195.8983 297.5280 -160966.7919 -108838.0200 298.5272 22.1572 53.1719 764211.1495 12.3059 12.2895 PRESSURE: 235600 -98.4957 -190.598 31.6373 -190.598 -176.31 350.4 31.6388 350.4 -182.098 GPRESSURE: 235600 -59.8893 35.6437 1.324 -160.704 -147.51 432.846 -50.5338 261.824 -162.931 PRESSAVG: 235600 -24.8611 -40.4017 48.0967 -40.4016 41.7064 20.8766 48.0967 20.8765 4.90574 GPRESSAVG: 235600 -25.4683 -38.8808 48.2943 -41.3436 42.9074 23.9338 45.8291 19.5845 4.55063 TIMING: 235600 CPU: 734.696, 0.00310148/step Wall: 734.696, 0.00310148/step, 4.10464 hours remaining, 234.843750 MB of memory in use. ENERGY: 235600 3970.2490 20541.2786 14372.5461 234.0495 -203064.1111 2736.2603 0.0000 0.0000 52059.1590 -109150.5684 299.1847 -161209.7275 -108778.1184 298.2614 -152.3012 -123.4434 764715.2738 7.2503 7.3299 PRESSURE: 235800 74.938 -5.18729 -57.5652 -5.18766 191.495 -137.268 -57.5649 -137.268 -19.4644 GPRESSURE: 235800 128.855 46.695 -67.5943 46.4711 155.24 -189.443 -15.721 -73.8547 41.5542 PRESSAVG: 235800 -57.8714 -18.3483 38.0386 -18.3482 48.0925 62.4866 38.0386 62.4867 -0.0704456 GPRESSAVG: 235800 -56.5468 -16.2145 36.8935 -17.2289 46.659 61.4903 40.6155 62.0112 0.396353 TIMING: 235800 CPU: 735.318, 0.00310983/step Wall: 735.318, 0.00310983/step, 4.11551 hours remaining, 234.843750 MB of memory in use. ENERGY: 235800 3891.1675 20593.2642 14434.8158 264.5955 -203294.0304 3069.0591 0.0000 0.0000 51852.4025 -109188.7257 297.9965 -161041.1283 -108830.1481 298.5044 82.3228 108.5495 763085.9883 -3.2831 -3.1638 PRESSURE: 236000 -44.6324 52.0588 52.0752 52.0593 -451.986 -356.98 52.0759 -356.981 105.368 GPRESSURE: 236000 -29.0733 130.713 -55.7133 -5.16707 -386.103 -242.253 14.9692 -389.659 72.3803 PRESSAVG: 236000 -26.9168 -45.1411 56.5761 -45.1411 33.6991 45.961 56.5761 45.9609 -16.8186 GPRESSAVG: 236000 -27.9652 -47.2078 56.0547 -45.8425 34.4791 45.85 54.6289 47.7379 -16.0509 TIMING: 236000 CPU: 735.938, 0.00310061/step Wall: 735.938, 0.00310061/step, 4.10313 hours remaining, 234.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 236000 4002.8145 20458.4967 14415.2740 228.9762 -202577.7391 2528.0205 0.0000 0.0000 51751.1750 -109192.9821 297.4147 -160944.1572 -108837.3647 298.0872 -130.4166 -114.2652 764650.4769 -3.3454 -3.1790 PRESSURE: 236200 -68.0017 159.062 -41.3972 159.062 96.127 123.534 -41.3969 123.534 262.688 GPRESSURE: 236200 2.69304 82.9704 -74.3523 184.542 132.17 168.744 -166.248 152.482 234.443 PRESSAVG: 236200 -25.8776 -24.7103 -10.7096 -24.7102 33.3636 30.1336 -10.7096 30.1336 -8.33736 GPRESSAVG: 236200 -25.1507 -25.4128 -9.6304 -23.2263 33.3618 28.6745 -10.6378 29.4178 -8.76759 TIMING: 236200 CPU: 736.566, 0.00313966/step Wall: 736.566, 0.00313966/step, 4.15464 hours remaining, 234.843750 MB of memory in use. ENERGY: 236200 4035.4000 20664.8673 14444.7595 241.5127 -203334.7664 3130.5255 0.0000 0.0000 51918.1762 -108899.5252 298.3745 -160817.7014 -108532.4302 298.4174 96.9377 123.1018 764427.1039 -0.2838 -0.1855 LDB: ============= START OF LOAD BALANCING ============== 749.045 LDB: ============== END OF LOAD BALANCING =============== 749.045 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 749.047 LDB: ============= START OF LOAD BALANCING ============== 749.359 LDB: Largest compute 7052 load 0.029586 is 15.2% of average load 0.194671 LDB: Average compute 0.004385 is 2.3% of average load 0.194671 LDB: TIME 749.362 LOAD: AVG 0.194671 MAX 0.216953 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.73 MB LDB: TIME 749.363 LOAD: AVG 0.194671 MAX 0.216953 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.93 MB LDB: TIME 749.363 LOAD: AVG 0.194671 MAX 0.216953 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.93 MB LDB: ============== END OF LOAD BALANCING =============== 749.365 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 749.37 PRESSURE: 236400 -158.293 -54.1644 92.6178 -54.1646 163.697 135.413 92.6169 135.413 -53.3124 GPRESSURE: 236400 -122.776 -20.0957 65.918 -86.9117 118.194 67.5123 25.6955 174.255 28.7305 PRESSAVG: 236400 -9.31184 -4.84207 -26.2763 -4.84207 -14.2919 -11.3505 -26.2764 -11.3504 -8.92825 GPRESSAVG: 236400 -9.99792 -4.12161 -26.0427 -7.59237 -14.5702 -11.2312 -24.9604 -12.7085 -8.16476 TIMING: 236400 CPU: 737.204, 0.0031876/step Wall: 737.204, 0.0031876/step, 4.2179 hours remaining, 233.218750 MB of memory in use. ENERGY: 236400 4025.6266 20509.5769 14457.1239 252.4928 -202653.0682 2457.8475 0.0000 0.0000 52297.5541 -108652.8463 300.5548 -160950.4004 -108290.6764 299.1545 -15.9694 8.0494 764908.6976 -10.8440 -10.9110 PRESSURE: 236600 7.82389 -127.39 -33.3022 -127.391 -163.243 25.4619 -33.3018 25.4618 -211.968 GPRESSURE: 236600 -34.8635 -91.0858 -150.916 -51.8379 -153.798 29.6543 24.094 -74.2752 -94.3244 PRESSAVG: 236600 19.2406 -39.3166 -42.1251 -39.3167 32.8702 22.884 -42.1252 22.8839 14.7528 GPRESSAVG: 236600 19.7841 -39.2725 -42.8687 -38.1657 32.651 23.2889 -41.4641 24.0198 13.9204 TIMING: 236600 CPU: 737.826, 0.00311103/step Wall: 737.826, 0.00311103/step, 4.11641 hours remaining, 233.218750 MB of memory in use. ENERGY: 236600 3994.2853 20578.7764 14535.9346 239.9049 -203192.8043 3051.7284 0.0000 0.0000 52189.1341 -108603.0406 299.9317 -160792.1748 -108250.5260 300.0054 -122.4621 -94.3288 764821.3289 22.2879 22.1185 PRESSURE: 236800 -133.06 -133.613 -9.0869 -133.613 -344.809 -182.913 -9.08688 -182.913 -144.836 GPRESSURE: 236800 -174.382 -230.832 8.60014 -31.6225 -194.411 -231.171 2.5981 -143.989 -167.559 PRESSAVG: 236800 -26.3204 -12.0162 -10.2992 -12.0163 35.2926 -16.6701 -10.2992 -16.6701 -4.30762 GPRESSAVG: 236800 -28.0036 -12.2471 -9.85009 -10.8873 36.4322 -17.1774 -12.2107 -16.5017 -3.87415 TIMING: 236800 CPU: 738.445, 0.00309478/step Wall: 738.445, 0.00309478/step, 4.09474 hours remaining, 233.218750 MB of memory in use. ENERGY: 236800 4026.8315 20578.2919 14433.6118 255.9504 -203091.7791 2840.3916 0.0000 0.0000 52237.3393 -108719.3626 300.2087 -160956.7019 -108355.0481 299.6751 -207.5683 -178.7838 765259.3559 1.5549 1.5181 PRESSURE: 237000 168.489 -31.5432 -141.025 -31.544 -310.584 177.917 -141.024 177.917 69.1471 GPRESSURE: 237000 62.3581 28.7377 -192.538 -33.1477 -239.995 177.818 -149.027 229.587 172.778 PRESSAVG: 237000 -69.6268 -37.8976 -29.6293 -37.8977 12.4419 70.583 -29.6293 70.5829 -6.95107 GPRESSAVG: 237000 -69.4021 -35.8759 -30.3403 -40.4955 12.1607 70.6159 -28.2201 71.6822 -6.45674 TIMING: 237000 CPU: 739.067, 0.00310827/step Wall: 739.067, 0.00310827/step, 4.11241 hours remaining, 233.218750 MB of memory in use. ENERGY: 237000 4006.6394 20456.5406 14530.7152 263.2867 -203063.1851 2846.3763 0.0000 0.0000 52258.2346 -108701.3923 300.3288 -160959.6269 -108338.7880 299.0459 -24.3159 -1.6194 764234.6872 -21.3787 -21.2327 PRESSURE: 237200 64.0283 -33.4993 223.591 -33.4992 -129.108 86.6112 223.59 86.6111 -233.246 GPRESSURE: 237200 150.27 -95.6163 242.203 23.4365 -146.973 178.891 154.805 -27.8223 -202.666 PRESSAVG: 237200 -2.4304 16.7798 -30.0982 16.7798 43.4954 34.618 -30.0982 34.6179 10.2643 GPRESSAVG: 237200 -3.19777 16.0212 -31.3918 20.45 43.4486 35.2193 -33.3683 34.6246 10.687 TIMING: 237200 CPU: 739.687, 0.00310233/step Wall: 739.687, 0.00310233/step, 4.10439 hours remaining, 233.218750 MB of memory in use. ENERGY: 237200 4091.9546 20500.1572 14452.7854 253.3835 -202951.4486 3076.6228 0.0000 0.0000 51991.3539 -108585.1912 298.7950 -160576.5451 -108221.5506 299.9706 -99.4419 -66.4562 763482.7615 17.1098 16.9793 PRESSURE: 237400 -33.4058 196.818 -293.811 196.818 -388.08 25.4727 -293.812 25.4725 -334.006 GPRESSURE: 237400 -15.6874 157.83 -347.933 142.173 -301.157 47.4844 -284.751 -14.5614 -362.504 PRESSAVG: 237400 -33.3124 23.7362 47.1046 23.7363 19.7476 -44.2163 47.1046 -44.2163 -9.41968 GPRESSAVG: 237400 -31.7462 23.1666 46.5186 22.5705 19.6598 -44.8463 50.0905 -44.5654 -10.7634 TIMING: 237400 CPU: 740.31, 0.0031133/step Wall: 740.31, 0.0031133/step, 4.11873 hours remaining, 233.218750 MB of memory in use. ENERGY: 237400 3994.5976 20635.5925 14479.3584 276.8241 -203054.3718 2952.5679 0.0000 0.0000 52188.8711 -108526.5603 299.9302 -160715.4314 -108160.2778 299.8763 -251.8305 -226.4495 764826.8032 -7.6615 -7.6166 PRESSURE: 237600 -49.2746 150.722 50.0684 150.722 -160.239 176.358 50.0685 176.358 62.6786 GPRESSURE: 237600 -47.7726 63.3962 59.5437 187.697 -111.709 181.957 86.1803 221.55 72.7176 PRESSAVG: 237600 42.7205 29.4562 14.2162 29.4561 -37.474 40.6168 14.2163 40.6167 11.2655 GPRESSAVG: 237600 42.3733 28.6838 17.7594 27.6625 -37.884 41.1505 12.5869 39.5951 12.2685 TIMING: 237600 CPU: 740.934, 0.00312114/step Wall: 740.934, 0.00312114/step, 4.12892 hours remaining, 233.218750 MB of memory in use. ENERGY: 237600 4077.2131 20526.7148 14443.8669 241.2147 -202970.0621 2823.9873 0.0000 0.0000 52039.4557 -108817.6097 299.0715 -160857.0654 -108453.6437 299.8189 -48.9449 -28.9214 763191.4622 5.5040 5.5859 PRESSURE: 237800 -152.332 4.26338 17.4626 4.26369 -42.2388 27.1855 17.4633 27.1855 -150.848 GPRESSURE: 237800 -82.6569 -45.6495 58.5688 81.2205 -41.4784 -16.1813 137.438 105.192 -136.407 PRESSAVG: 237800 42.7738 -24.7698 -8.983 -24.7698 -16.2108 46.2176 -8.983 46.2176 -1.47772 GPRESSAVG: 237800 43.2531 -25.2064 -10.914 -21.6381 -16.9344 46.6327 -7.91887 47.3474 -0.376191 TIMING: 237800 CPU: 741.555, 0.00310301/step Wall: 741.555, 0.00310301/step, 4.10477 hours remaining, 233.218750 MB of memory in use. ENERGY: 237800 4053.8848 20582.6594 14515.8277 261.0029 -203079.4246 2919.6755 0.0000 0.0000 52062.3768 -108683.9975 299.2032 -160746.3743 -108323.0609 299.6115 -115.1398 -86.8473 763212.2744 8.3618 8.6475 PRESSURE: 238000 -243.38 4.3574 -346.443 4.35655 -131.563 -75.6373 -346.443 -75.637 -411.4 GPRESSURE: 238000 -228.211 82.3642 -360.069 15.6762 -88.0705 -45.922 -306.639 -53.1147 -381.756 PRESSAVG: 238000 -13.7372 -50.7049 -2.98486 -50.7049 54.4571 -22.0893 -2.98487 -22.0894 -15.0604 GPRESSAVG: 238000 -14.3349 -49.8411 -3.06228 -54.0508 54.2427 -23.7319 -2.86289 -20.2444 -13.8482 TIMING: 238000 CPU: 742.178, 0.0031147/step Wall: 742.178, 0.0031147/step, 4.12006 hours remaining, 233.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 238000 4055.4195 20570.8694 14429.1519 255.0977 -203073.9225 2952.5071 0.0000 0.0000 52050.5962 -108760.2808 299.1355 -160810.8770 -108400.6884 299.5140 -262.1143 -232.6792 763567.6512 8.5532 8.6866 PRESSURE: 238200 -126.377 -61.5733 -21.8272 -61.5734 -294.07 31.9664 -21.8278 31.9674 -185.323 GPRESSURE: 238200 -120.647 -171.49 -52.5068 34.9721 -255.007 -21.7262 37.3184 -62.0985 -140.577 PRESSAVG: 238200 7.74765 -12.1489 -14.6348 -12.1489 -14.7732 17.6776 -14.6347 17.6776 -13.1008 GPRESSAVG: 238200 8.16454 -11.4657 -15.5673 -10.1158 -12.8328 19.4686 -15.2835 14.9969 -15.3204 TIMING: 238200 CPU: 742.799, 0.00310511/step Wall: 742.799, 0.00310511/step, 4.10719 hours remaining, 233.218750 MB of memory in use. ENERGY: 238200 4012.4610 20499.9128 14443.4196 255.0960 -202830.7774 2597.4362 0.0000 0.0000 52260.7048 -108761.7471 300.3430 -161022.4519 -108406.7340 299.1840 -201.9233 -172.0771 763497.9641 -6.7088 -6.6629 PRESSURE: 238400 151.855 -53.0786 -89.9994 -53.0793 4.66162 93.3187 -89.9997 93.319 -94.1413 GPRESSURE: 238400 199.756 57.2504 -33.8152 -153.79 51.3539 168.487 -103.716 90.6716 -114.74 PRESSAVG: 238400 29.107 -8.35326 -19.6472 -8.35322 -19.5877 1.64741 -19.6472 1.64742 -9.8149 GPRESSAVG: 238400 29.1086 -7.81414 -18.6274 -9.8506 -20.3088 0.221364 -19.3353 1.99013 -9.00199 TIMING: 238400 CPU: 743.422, 0.00311774/step Wall: 743.422, 0.00311774/step, 4.12374 hours remaining, 233.218750 MB of memory in use. ENERGY: 238400 3958.3200 20561.0523 14436.4022 249.7924 -202976.0235 2723.2710 0.0000 0.0000 52106.9685 -108940.2171 299.4595 -161047.1856 -108592.2848 299.2733 20.7917 45.4565 762857.8946 -0.0985 -0.0674 PRESSURE: 238600 316.958 -123.158 -65.3498 -123.159 -106.967 41.0357 -65.3493 41.0364 -222.948 GPRESSURE: 238600 325.027 -92.3867 36.218 -147.691 -85.8643 17.1292 -212.389 53.4138 -180.074 PRESSAVG: 238600 -12.96 -44.8087 -13.0346 -44.8087 10.5288 -7.81347 -13.0346 -7.81337 15.5575 GPRESSAVG: 238600 -11.7906 -43.4601 -11.9454 -42.6977 9.5522 -8.15724 -14.8678 -8.31482 14.9492 TIMING: 238600 CPU: 744.042, 0.0030992/step Wall: 744.042, 0.0030992/step, 4.09903 hours remaining, 233.218750 MB of memory in use. ENERGY: 238600 3937.4353 20523.3579 14507.2744 246.5614 -203291.6109 3028.8712 0.0000 0.0000 51867.4853 -109180.6254 298.0832 -161048.1107 -108823.9310 298.5132 -4.3190 19.6963 764079.1009 4.3754 4.2369 PRESSURE: 238800 89.7045 168.458 215.822 168.458 -118.874 16.9494 215.821 16.9499 -143.117 GPRESSURE: 238800 69.5781 61.1233 74.2392 169.548 -99.1654 54.9757 253.308 18.6153 -49.921 PRESSAVG: 238800 73.3561 -18.8861 -19.9022 -18.886 49.9397 -35.6533 -19.9022 -35.6533 4.08883 GPRESSAVG: 238800 71.7485 -22.1838 -19.9029 -18.7358 51.1787 -33.692 -20.3664 -35.9325 4.10777 TIMING: 238800 CPU: 744.661, 0.00309719/step Wall: 744.661, 0.00309719/step, 4.09621 hours remaining, 233.218750 MB of memory in use. ENERGY: 238800 3985.5313 20434.9024 14526.0559 247.4890 -203486.4951 3088.6714 0.0000 0.0000 52249.7229 -108954.1223 300.2799 -161203.8451 -108586.4333 298.6233 -57.4290 -26.5028 762940.2402 42.4616 42.3450 PRESSURE: 239000 -242.377 -57.035 1.84143 -57.0346 -476.422 1.49913 1.84114 1.49884 -186.173 GPRESSURE: 239000 -188.922 -81.6623 -41.344 -18.9868 -422.627 -85.6609 87.8081 24.0217 -224.752 PRESSAVG: 239000 -30.9789 -12.2073 -29.4011 -12.2073 39.8679 -31.8765 -29.4011 -31.8765 -10.2988 GPRESSAVG: 239000 -30.0186 -9.51701 -30.2316 -15.0549 39.9123 -32.5964 -27.101 -32.8682 -11.3455 TIMING: 239000 CPU: 745.283, 0.00310608/step Wall: 745.283, 0.00310608/step, 4.10779 hours remaining, 233.218750 MB of memory in use. ENERGY: 239000 4001.8791 20457.1871 14502.8889 244.4197 -202936.3213 2680.8062 0.0000 0.0000 52190.6585 -108858.4817 299.9404 -161049.1402 -108489.8634 299.0343 -301.6573 -278.7668 765097.5077 -0.4700 -0.4839 PRESSURE: 239200 148.941 173.027 -39.6445 173.027 108.167 -11.7443 -39.6445 -11.7443 65.8185 GPRESSURE: 239200 220.067 253.442 -135.398 169.803 96.4487 41.1812 -117.987 51.3897 86.2177 PRESSAVG: 239200 -18.8347 -16.9374 -55.7666 -16.9373 -1.21917 -20.2135 -55.7666 -20.2135 10.6377 GPRESSAVG: 239200 -19.7017 -17.4345 -56.0166 -15.3461 -2.2482 -21.0001 -57.0424 -17.7252 12.6594 TIMING: 239200 CPU: 745.905, 0.00311117/step Wall: 745.905, 0.00311117/step, 4.11434 hours remaining, 233.218750 MB of memory in use. ENERGY: 239200 3987.2280 20611.0491 14451.2578 251.6866 -203130.8463 2971.2389 0.0000 0.0000 52043.8590 -108814.5268 299.0968 -160858.3858 -108460.4628 299.0498 107.6421 134.2444 763873.4070 -3.1387 -3.0968 PRESSURE: 239400 330.186 67.2378 -71.603 67.2377 -2.76357 140.83 -71.6033 140.831 15.9272 GPRESSURE: 239400 384.241 119.134 -63.6163 41.2841 3.78363 108.467 40.0655 148.216 22.4616 PRESSAVG: 239400 37.0812 12.0494 -30.4309 12.0493 -10.1209 9.26066 -30.4309 9.26063 13.2474 GPRESSAVG: 239400 37.2851 10.6085 -29.3518 12.764 -9.67492 10.568 -31.1112 8.2516 12.7718 TIMING: 239400 CPU: 746.526, 0.00310595/step Wall: 746.526, 0.00310595/step, 4.10728 hours remaining, 233.218750 MB of memory in use. ENERGY: 239400 3950.2843 20366.6440 14429.5978 243.9593 -203394.7477 3185.0244 0.0000 0.0000 52178.8495 -109040.3883 299.8726 -161219.2378 -108671.8767 298.5896 114.4498 136.8287 763735.1909 13.4026 13.4607 PRESSURE: 239600 -238.337 -87.5311 12.9543 -87.5311 -36.8715 276.197 12.955 276.197 32.9936 GPRESSURE: 239600 -221.361 -21.984 70.2749 -62.1652 -10.9478 178.468 -43.0163 182.457 77.6634 PRESSAVG: 239600 4.02291 -74.344 -9.16871 -74.344 -8.45186 -18.0565 -9.1687 -18.0565 -2.05577 GPRESSAVG: 239600 4.76932 -73.4707 -7.46665 -76.1069 -8.11414 -19.858 -9.23248 -15.5129 -3.24392 TIMING: 239600 CPU: 747.144, 0.00308893/step Wall: 747.144, 0.00308893/step, 4.0846 hours remaining, 233.218750 MB of memory in use. ENERGY: 239600 3967.4006 20453.6548 14451.0423 243.0947 -202767.3739 2716.6617 0.0000 0.0000 52053.0540 -108882.4659 299.1496 -160935.5199 -108517.1650 298.6451 -80.7382 -51.5485 764042.9424 -2.1616 -2.1962 PRESSURE: 239800 -176.234 229.254 -13.5345 229.255 111.347 45.3024 -13.5348 45.3027 -237.515 GPRESSURE: 239800 -181.469 70.8517 54.1743 305.177 188.766 12.9487 -131.252 138.517 -222.987 PRESSAVG: 239800 53.8522 -10.4339 -55.6042 -10.4339 -21.0668 8.58981 -55.6041 8.58981 -1.49885 GPRESSAVG: 239800 52.7865 -10.8055 -58.3491 -8.79567 -19.9655 8.37093 -54.6826 6.75496 -1.34467 TIMING: 239800 CPU: 747.764, 0.00309906/step Wall: 747.764, 0.00309905/step, 4.09781 hours remaining, 233.218750 MB of memory in use. ENERGY: 239800 3969.0203 20429.4413 14461.9523 267.5231 -202857.3254 2818.2402 0.0000 0.0000 52076.2972 -108834.8509 299.2832 -160911.1481 -108482.3630 298.7111 -100.8006 -71.8964 763984.6210 10.4288 10.4921 PRESSURE: 240000 -232.875 -34.1822 -166.737 -34.1811 -53.8499 -225.402 -166.738 -225.403 -173.741 GPRESSURE: 240000 -144.903 -70.1153 -206.451 -98.7522 -20.0745 -135.852 -106.685 -147.068 -229.954 PRESSAVG: 240000 -19.8274 -28.7477 -30.1715 -28.7477 17.0491 -22.1771 -30.1715 -22.1772 50.2641 GPRESSAVG: 240000 -18.9949 -28.0886 -28.5247 -29.0149 17.0025 -20.8536 -28.7393 -22.17 49.6285 TIMING: 240000 CPU: 748.385, 0.00310603/step Wall: 748.385, 0.00310603/step, 4.10687 hours remaining, 233.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 240000 3992.4184 20523.5459 14506.1646 260.2783 -202575.1521 2635.0647 0.0000 0.0000 52030.7968 -108626.8834 299.0217 -160657.6802 -108261.4926 299.1442 -153.4886 -131.6438 766715.0804 15.8286 15.8787 PRESSURE: 240200 109.012 -202.48 49.51 -202.479 -48.2305 105.172 49.511 105.171 112.226 GPRESSURE: 240200 143.267 -194.303 92.4381 -120.942 -32.4939 123.324 144.474 39.82 115.037 PRESSAVG: 240200 12.431 -38.6234 -28.445 -38.6234 5.96709 -54.9272 -28.4449 -54.9272 -22.1143 GPRESSAVG: 240200 11.4706 -39.5745 -29.223 -39.7959 5.37294 -55.9994 -28.0715 -53.8121 -20.4126 TIMING: 240200 CPU: 749.004, 0.00309554/step Wall: 749.004, 0.00309554/step, 4.09281 hours remaining, 233.218750 MB of memory in use. ENERGY: 240200 3967.4301 20519.0171 14452.9709 247.5433 -202850.7880 2984.0444 0.0000 0.0000 51827.5953 -108852.1869 297.8539 -160679.7822 -108478.5219 299.0549 57.6691 75.2699 767591.7606 -1.2387 -1.1897 LDB: ============= START OF LOAD BALANCING ============== 761.481 LDB: ============== END OF LOAD BALANCING =============== 761.481 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 761.482 LDB: ============= START OF LOAD BALANCING ============== 761.795 LDB: Largest compute 7052 load 0.029698 is 15.2% of average load 0.194763 LDB: Average compute 0.004400 is 2.3% of average load 0.194763 LDB: TIME 761.798 LOAD: AVG 0.194763 MAX 0.218221 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.523 MB LDB: TIME 761.798 LOAD: AVG 0.194763 MAX 0.218221 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.523 MB LDB: TIME 761.798 LOAD: AVG 0.194763 MAX 0.216373 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.523 MB LDB: ============== END OF LOAD BALANCING =============== 761.801 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 761.806 PRESSURE: 240400 -224.614 -191.235 -36.7544 -191.235 70.2988 58.5335 -36.7551 58.5343 407.73 GPRESSURE: 240400 -154.734 -73.883 44.9505 -349.469 139.775 123.472 -105.639 -68.0786 345.533 PRESSAVG: 240400 2.69165 -76.0551 -16.8016 -76.0551 15.9989 -22.2797 -16.8016 -22.2796 4.66296 GPRESSAVG: 240400 3.75883 -76.4403 -17.1063 -75.8038 16.2367 -21.9854 -18.455 -23.0485 3.83605 TIMING: 240400 CPU: 749.64, 0.00317903/step Wall: 749.64, 0.00317903/step, 4.20303 hours remaining, 234.550781 MB of memory in use. ENERGY: 240400 4027.7118 20403.0775 14494.1697 230.7973 -202570.0950 2728.3412 0.0000 0.0000 51877.3441 -108808.6535 298.1398 -160685.9975 -108454.0569 298.3898 84.4719 110.1915 765925.1099 7.7845 7.9438 PRESSURE: 240600 260.046 -21.1046 20.9835 -21.1042 76.9476 129.853 20.9843 129.853 270.828 GPRESSURE: 240600 258.236 28.1795 109.369 6.05044 139.947 95.6478 -41.2419 -61.0259 306.976 PRESSAVG: 240600 45.1888 -69.0447 -28.5405 -69.0448 -19.8582 -31.5043 -28.5405 -31.5042 -9.57753 GPRESSAVG: 240600 43.982 -66.7634 -29.2025 -68.7179 -19.2814 -31.7184 -28.981 -32.3941 -8.63366 TIMING: 240600 CPU: 750.26, 0.00309969/step Wall: 750.26, 0.00309969/step, 4.09796 hours remaining, 234.753906 MB of memory in use. ENERGY: 240600 3951.3997 20432.1247 14514.9191 243.2464 -203173.2652 3320.4887 0.0000 0.0000 51821.2243 -108889.8622 297.8173 -160711.0865 -108525.7791 298.4425 202.6072 235.0529 765577.6919 5.2510 5.3556 PRESSURE: 240800 -90.2869 221.393 -263.507 221.393 -5.92033 -97.3815 -263.508 -97.3814 -487.556 GPRESSURE: 240800 -42.3812 20.8726 -261.821 167.218 -33.8281 -136.939 -293.366 -81.0003 -423.732 PRESSAVG: 240800 56.5135 10.3096 -23.0898 10.3096 -56.5249 -1.31313 -23.0899 -1.31316 3.34325 GPRESSAVG: 240800 56.1091 7.62445 -23.7937 11.5862 -55.8259 -2.26135 -21.3034 -0.70672 3.17345 TIMING: 240800 CPU: 750.878, 0.00309029/step Wall: 750.878, 0.00309029/step, 4.08536 hours remaining, 234.753906 MB of memory in use. ENERGY: 240800 3973.9099 20563.9835 14449.7615 242.1150 -202565.8306 2652.8132 0.0000 0.0000 51929.0544 -108754.1932 298.4370 -160683.2476 -108401.9258 298.8999 -194.5877 -166.6472 767239.2812 1.1106 1.1522 PRESSURE: 241000 -27.3263 29.0092 -64.7062 29.0086 -194.928 228.569 -64.7056 228.569 28.2399 GPRESSURE: 241000 -65.2349 54.1312 -129.605 1.35892 -76.1368 295.823 -215.995 282.914 30.4434 PRESSAVG: 241000 -7.91498 -17.801 -0.62124 -17.801 -31.0893 -6.42608 -0.621198 -6.42614 10.152 GPRESSAVG: 241000 -6.27419 -17.2564 0.863203 -17.0196 -33.1827 -3.96124 -2.39303 -7.73299 10.7102 TIMING: 241000 CPU: 751.497, 0.00309383/step Wall: 751.497, 0.00309383/step, 4.08987 hours remaining, 234.753906 MB of memory in use. ENERGY: 241000 4080.9511 20503.3071 14454.0140 240.1627 -202644.1181 2893.5398 0.0000 0.0000 51817.3279 -108654.8154 297.7949 -160472.1433 -108297.9181 298.9066 -64.6716 -36.9761 766631.5628 -9.6174 -9.5822 PRESSURE: 241200 -488.819 -21.4812 -124.85 -21.4815 -74.6011 280.684 -124.849 280.685 108.967 GPRESSURE: 241200 -361.319 29.7925 -60.4545 -147.798 -215.345 272.674 -165.499 293.467 223.869 PRESSAVG: 241200 15.5627 -24.1868 -26.2218 -24.1867 17.5149 34.6617 -26.2219 34.6617 -9.1568 GPRESSAVG: 241200 14.1784 -23.9708 -26.1529 -26.0726 18.6777 32.2369 -26.0411 36.203 -8.7009 TIMING: 241200 CPU: 752.117, 0.00310432/step Wall: 752.117, 0.00310432/step, 4.10356 hours remaining, 234.753906 MB of memory in use. ENERGY: 241200 3965.0249 20573.9092 14439.2859 251.9708 -202734.3577 2899.7665 0.0000 0.0000 52051.1265 -108553.2740 299.1385 -160604.4004 -108192.7397 299.1561 -151.4847 -117.5984 766469.5107 7.9736 8.0518 PRESSURE: 241400 104.467 -194.255 30.7022 -194.255 78.9622 21.7755 30.7028 21.7752 -152.438 GPRESSURE: 241400 124.616 -74.0805 18.2692 -204.48 127.274 104.525 52.3083 -138.393 -131.773 PRESSAVG: 241400 -4.82808 -57.7628 -18.7463 -57.7627 -22.1771 3.84589 -18.7462 3.84596 3.41935 GPRESSAVG: 241400 -3.39248 -59.2728 -19.227 -56.7579 -22.7812 6.4554 -17.6884 1.10025 2.93958 TIMING: 241400 CPU: 752.738, 0.00310482/step Wall: 752.738, 0.00310482/step, 4.10406 hours remaining, 234.753906 MB of memory in use. ENERGY: 241400 4055.8645 20532.3254 14429.2411 247.7986 -203217.3548 3204.6717 0.0000 0.0000 52147.4407 -108600.0128 299.6921 -160747.4534 -108240.3412 299.0632 10.3303 40.0391 764679.0372 -7.8619 -7.7447 PRESSURE: 241600 -31.6123 -2.68508 57.9699 -2.68462 382.965 62.5429 57.9698 62.5438 -31.2756 GPRESSURE: 241600 60.82 4.23948 128.521 22.0105 342.498 114.331 -75.6233 76.0797 -10.7431 PRESSAVG: 241600 -9.21749 -59.0871 22.5792 -59.0871 37.5158 -45.6513 22.5791 -45.6513 10.6235 GPRESSAVG: 241600 -8.73906 -57.5807 23.0462 -58.5959 38.1184 -45.7438 22.8513 -45.871 10.3853 TIMING: 241600 CPU: 753.357, 0.00309384/step Wall: 753.357, 0.00309384/step, 4.08936 hours remaining, 234.753906 MB of memory in use. ENERGY: 241600 4055.2494 20532.6676 14481.7157 273.5156 -202894.1203 2883.3406 0.0000 0.0000 52028.2362 -108639.3951 299.0070 -160667.6314 -108270.7104 298.4295 106.6922 130.8584 764557.1521 12.9739 13.2549 PRESSURE: 241800 56.4694 -121.762 109.138 -121.762 160.092 212.385 109.138 212.386 104.488 GPRESSURE: 241800 146.68 -51.4799 151.891 17.1703 104.026 122.157 181.999 69.6445 130.473 PRESSAVG: 241800 -66.874 -30.5187 -0.0112581 -30.5187 47.6664 49.2808 -0.0112577 49.2807 -12.1639 GPRESSAVG: 241800 -67.4733 -32.1277 0.600502 -31.2872 47.2269 47.1944 -2.33712 51.4366 -11.2136 TIMING: 241800 CPU: 753.978, 0.00310592/step Wall: 753.978, 0.00310592/step, 4.10517 hours remaining, 234.753906 MB of memory in use. ENERGY: 241800 4054.7600 20755.3157 14458.9434 235.9016 -202942.7770 2820.3014 0.0000 0.0000 51900.4681 -108717.0869 298.2727 -160617.5550 -108360.0443 298.6535 107.0165 127.0594 762473.5040 -10.4572 -10.4867 PRESSURE: 242000 -114.634 -45.2306 41.3413 -45.2304 -77.7751 169.623 41.3417 169.622 -136.189 GPRESSURE: 242000 -127.111 -24.5501 80.4411 -37.3321 49.595 182.428 128.208 157.996 -144.713 PRESSAVG: 242000 25.8771 -41.9827 -15.3404 -41.9827 0.471541 44.1091 -15.3405 44.1091 24.0902 GPRESSAVG: 242000 27.031 -40.863 -14.6441 -41.5512 0.257448 46.1888 -15.3208 44.8238 23.3173 TIMING: 242000 CPU: 754.598, 0.00309871/step Wall: 754.598, 0.00309871/step, 4.09546 hours remaining, 234.753906 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: 242000 3927.9775 20646.9941 14499.7098 234.7578 -202835.1774 2962.2262 0.0000 0.0000 52012.1626 -108551.3494 298.9146 -160563.5121 -108179.8165 299.1844 -109.5329 -74.0765 763558.8685 16.8129 16.8686 PRESSURE: 242200 69.0772 -174.184 167.612 -174.185 -8.13704 -29.9956 167.613 -29.9967 45.0742 GPRESSURE: 242200 82.3403 -200.271 232.44 -85.8914 75.7291 -45.3479 184.413 -52.4925 39.9293 PRESSAVG: 242200 4.14245 -8.88981 85.9693 -8.88985 4.15145 18.0891 85.9693 18.0891 -16.7883 GPRESSAVG: 242200 3.64766 -7.26918 85.4509 -9.01848 4.9451 18.5648 87.6539 14.6474 -17.4121 TIMING: 242200 CPU: 755.219, 0.00310684/step Wall: 755.219, 0.00310684/step, 4.10604 hours remaining, 234.753906 MB of memory in use. ENERGY: 242200 4022.3267 20649.3500 14542.0181 244.8783 -203200.2730 3144.0686 0.0000 0.0000 52267.2579 -108330.3734 300.3806 -160597.6313 -107966.7175 299.8671 35.3381 65.9995 763848.0949 -2.8315 -2.9398 PRESSURE: 242400 47.6213 -118.762 13.7611 -118.762 81.6858 85.8252 13.7608 85.8244 57.9926 GPRESSURE: 242400 155.674 -65.3936 71.7542 -31.1992 3.87241 -2.38493 68.1413 210.891 116.999 PRESSAVG: 242400 1.13406 -48.1792 27.2236 -48.1792 3.5185 9.41867 27.2236 9.41864 -3.88136 GPRESSAVG: 242400 0.0469817 -48.6063 28.3557 -46.6302 3.88923 8.8908 25.1121 12.0153 -2.89552 TIMING: 242400 CPU: 755.842, 0.00311278/step Wall: 755.842, 0.00311278/step, 4.11371 hours remaining, 234.753906 MB of memory in use. ENERGY: 242400 4129.9422 20602.8602 14504.7952 233.4626 -203187.2942 3177.6550 0.0000 0.0000 52146.1537 -108392.4252 299.6847 -160538.5789 -108024.1578 300.0789 62.4333 92.1817 764261.0017 0.2571 0.3469 PRESSURE: 242600 171.257 79.8804 -127.406 79.8811 318.39 18.2321 -127.406 18.2319 587.88 GPRESSURE: 242600 128.56 -4.33087 -64.1599 120.942 361.9 -64.9188 -35.444 -18.1691 682.338 PRESSAVG: 242600 -3.69184 -42.8859 20.7567 -42.8859 57.9069 7.95287 20.7567 7.95292 13.6744 GPRESSAVG: 242600 -2.82521 -44.253 20.5026 -44.4128 56.532 7.22716 22.3305 6.79479 13.36 TIMING: 242600 CPU: 756.461, 0.00309311/step Wall: 756.461, 0.00309311/step, 4.08755 hours remaining, 234.753906 MB of memory in use. ENERGY: 242600 3957.4272 20664.1371 14521.7375 268.4457 -203425.7756 3059.3406 0.0000 0.0000 52442.7850 -108511.9025 301.3894 -160954.6875 -108145.3741 299.9201 359.1760 390.9325 762650.8780 22.6298 22.3556 PRESSURE: 242800 166.907 49.6146 194.379 49.6145 132.364 -162.81 194.379 -162.81 247.691 GPRESSURE: 242800 145.449 42.227 203.909 -104.049 260.344 -123.886 171.885 -140.075 208.712 PRESSAVG: 242800 -17.4963 -61.4425 0.828785 -61.4425 26.6537 38.4733 0.8288 38.4733 14.5265 GPRESSAVG: 242800 -18.4225 -62.0748 -0.168093 -60.8343 27.9695 38.3748 1.88591 36.8542 13.8087 TIMING: 242800 CPU: 757.081, 0.00310052/step Wall: 757.081, 0.00310052/step, 4.09717 hours remaining, 234.753906 MB of memory in use. ENERGY: 242800 3982.2970 20609.1332 14516.7963 255.4022 -203264.1457 3123.5892 0.0000 0.0000 52180.0214 -108596.9064 299.8793 -160776.9278 -108228.2997 299.9754 182.3208 204.8349 764853.8861 7.8946 7.7852 PRESSURE: 243000 206.239 72.3193 -311.429 72.3197 -72.6271 -142.789 -311.429 -142.789 -43.9704 GPRESSURE: 243000 252.564 81.6213 -245.95 -44.36 -127.145 -95.7426 -271.279 -30.8587 39.1584 PRESSAVG: 243000 -10.4794 -43.1497 -13.8525 -43.1497 3.85535 9.74234 -13.8525 9.74237 6.19645 GPRESSAVG: 243000 -9.59474 -39.6285 -13.4449 -44.6759 2.5568 11.174 -13.8274 11.0937 5.64776 TIMING: 243000 CPU: 757.699, 0.00309053/step Wall: 757.699, 0.00309053/step, 4.08379 hours remaining, 234.753906 MB of memory in use. ENERGY: 243000 4008.2783 20648.8013 14599.7769 248.6374 -203253.2862 3026.8837 0.0000 0.0000 52221.3787 -108499.5301 300.1170 -160720.9087 -108146.2728 300.1230 29.8804 54.8592 764137.6554 -0.1425 -0.4634 PRESSURE: 243200 -17.456 -156.448 41.7048 -156.447 72.0174 140.196 41.7052 140.196 42.1217 GPRESSURE: 243200 -106.796 -85.8435 0.163444 -240.563 195.578 56.577 -68.8019 181.218 81.6007 PRESSAVG: 243200 -21.0314 -20.6105 -18.5415 -20.6105 -2.29317 31.9917 -18.5415 31.9917 -18.8457 GPRESSAVG: 243200 -20.64 -23.756 -19.1468 -17.6009 -2.17931 29.5432 -18.3183 32.6553 -19.1515 TIMING: 243200 CPU: 758.316, 0.00308537/step Wall: 758.316, 0.00308537/step, 4.0768 hours remaining, 234.753906 MB of memory in use. ENERGY: 243200 4008.6497 20689.2013 14508.7852 243.4734 -203603.9478 3456.2931 0.0000 0.0000 52380.6823 -108316.8628 301.0325 -160697.5451 -107958.7861 300.2787 32.2277 56.7941 766960.3771 -14.0568 -13.9902 PRESSURE: 243400 -57.2906 -144.846 -130.563 -144.846 12.021 363.807 -130.563 363.808 -67.2216 GPRESSURE: 243400 -38.4728 -203.539 -175.018 -164.507 94.2284 302.429 -146.831 415.263 -73.8534 PRESSAVG: 243400 -3.76146 -23.8456 -8.21726 -23.8456 -5.88384 50.821 -8.21728 50.821 -23.5011 GPRESSAVG: 243400 -5.62327 -23.2457 -9.25605 -24.9513 -4.75424 51.4762 -8.53306 51.4385 -22.1522 TIMING: 243400 CPU: 758.938, 0.00311008/step Wall: 758.938, 0.00311008/step, 4.10928 hours remaining, 234.753906 MB of memory in use. ENERGY: 243400 4046.0114 20706.2557 14569.7308 238.0278 -203157.1665 3139.1838 0.0000 0.0000 52003.3172 -108454.6398 298.8638 -160457.9570 -108095.1236 299.9100 -37.4971 -6.0326 766417.7747 -11.0488 -10.8433 PRESSURE: 243600 278.281 -1.34151 -24.2361 -1.34049 -371.717 -26.5315 -24.2367 -26.5321 5.03262 GPRESSURE: 243600 285.752 -6.85062 -54.3862 -77.3242 -224.147 17.2446 54.4197 -55.4246 -61.5302 PRESSAVG: 243600 33.1943 -53.7617 23.8987 -53.7616 -11.1109 22.5845 23.8987 22.5845 8.33404 GPRESSAVG: 243600 33.4594 -52.5417 24.6926 -55.4219 -11.4987 23.7737 25.1624 22.0067 7.89893 TIMING: 243600 CPU: 759.558, 0.0031022/step Wall: 759.558, 0.0031022/step, 4.09869 hours remaining, 234.753906 MB of memory in use. ENERGY: 243600 4038.5366 20602.7496 14496.7941 231.4031 -203202.5735 3201.1686 0.0000 0.0000 52170.9741 -108460.9474 299.8273 -160631.9215 -108094.5023 300.4089 -29.4679 0.0249 764928.3980 10.1392 9.9532 PRESSURE: 243800 -236.888 -202.504 -154.55 -202.506 -81.0854 144.075 -154.55 144.077 412.499 GPRESSURE: 243800 -205.328 -178.168 -82.8799 -200.755 -12.4772 114.469 -231.327 123.33 399.906 PRESSAVG: 243800 12.0361 -54.5038 12.7014 -54.5038 18.3756 17.4113 12.7014 17.4113 -4.17264 GPRESSAVG: 243800 12.9637 -56.6031 12.0887 -51.534 17.1789 16.2262 12.9442 17.0877 -4.62672 TIMING: 243800 CPU: 760.179, 0.00310111/step Wall: 760.179, 0.00310111/step, 4.09708 hours remaining, 234.753906 MB of memory in use. ENERGY: 243800 4011.0811 20661.5394 14532.9808 243.9817 -203127.6883 3038.0088 0.0000 0.0000 51978.3312 -108661.7655 298.7202 -160640.0967 -108305.2969 300.1592 31.5084 60.7002 765864.5263 8.7464 8.5053 PRESSURE: 244000 92.3051 142.377 -79.9186 142.377 -239.758 225.568 -79.9184 225.568 551.785 GPRESSURE: 244000 129.772 101.14 -32.6625 149.832 -130.894 220.188 -74.7998 284.086 474.132 PRESSAVG: 244000 58.7684 -16.1731 50.6148 -16.1731 -49.1647 -16.8725 50.6148 -16.8725 -7.57587 GPRESSAVG: 244000 58.3632 -16.0283 50.5548 -16.7747 -47.9521 -15.9832 48.7428 -16.3436 -8.40284 TIMING: 244000 CPU: 760.797, 0.00309318/step Wall: 760.797, 0.00309318/step, 4.08643 hours remaining, 234.753906 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: 244000 3995.6594 20657.6414 14461.9427 249.2581 -202789.7696 2854.8414 0.0000 0.0000 51987.7311 -108582.6955 298.7742 -160570.4266 -108220.3845 299.3198 134.7773 157.6700 764760.5428 0.6759 0.6694 PRESSURE: 244200 -418.555 -1.54504 199.026 -1.54466 -209.507 -63.9735 199.026 -63.973 -591.497 GPRESSURE: 244200 -419.474 14.3597 234.122 -64.5226 -105.894 -34.339 224.799 -20.5726 -628.686 PRESSAVG: 244200 -19.2785 -51.3721 15.752 -51.3721 19.4925 6.79392 15.752 6.79385 -13.0126 GPRESSAVG: 244200 -19.2633 -50.5876 17.015 -53.2715 17.6944 5.80795 16.6682 7.11838 -11.8858 TIMING: 244200 CPU: 761.418, 0.00310555/step Wall: 761.418, 0.00310555/step, 4.1026 hours remaining, 234.753906 MB of memory in use. ENERGY: 244200 4061.5857 20643.7733 14519.8400 264.1184 -202935.3321 2747.3184 0.0000 0.0000 52166.4081 -108532.2883 299.8011 -160698.6964 -108160.4573 299.5378 -406.5193 -384.6846 766808.5199 -4.2662 -4.4849 LDB: ============= START OF LOAD BALANCING ============== 773.898 LDB: ============== END OF LOAD BALANCING =============== 773.898 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 773.9 LDB: ============= START OF LOAD BALANCING ============== 774.212 LDB: Largest compute 7052 load 0.029065 is 14.9% of average load 0.194681 LDB: Average compute 0.004393 is 2.3% of average load 0.194681 LDB: TIME 774.215 LOAD: AVG 0.194681 MAX 0.215061 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.84 MB LDB: TIME 774.216 LOAD: AVG 0.194681 MAX 0.215061 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.91 MB LDB: TIME 774.216 LOAD: AVG 0.194681 MAX 0.215061 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.91 MB LDB: ============== END OF LOAD BALANCING =============== 774.218 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 774.223 PRESSURE: 244400 -161.573 -23.5903 -157.843 -23.5896 40.4328 -195.328 -157.843 -195.33 -110.596 GPRESSURE: 244400 -66.3624 -59.2458 -205.286 10.5491 -15.3849 -225.401 -31.7032 -208.257 -71.2531 PRESSAVG: 244400 11.1122 -24.7443 11.6336 -24.7443 -7.9206 -2.0184 11.6336 -2.01838 11.0201 GPRESSAVG: 244400 12.4344 -25.4175 11.9979 -24.5 -8.37715 -0.828339 11.4224 -2.44337 10.5863 TIMING: 244400 CPU: 762.057, 0.00319398/step Wall: 762.057, 0.00319398/step, 4.21925 hours remaining, 233.515625 MB of memory in use. ENERGY: 244400 3975.0621 20638.2119 14608.8435 241.3079 -202769.3601 2657.0987 0.0000 0.0000 52318.8283 -108330.0076 300.6770 -160648.8359 -107965.1985 300.1763 -77.2452 -51.0002 765586.9542 4.7372 4.8812 PRESSURE: 244600 -61.4903 216.432 -14.6704 216.431 -68.5911 11.4786 -14.6696 11.4784 161.959 GPRESSURE: 244600 -58.1331 353.434 15.1176 252.156 66.8798 -98.2178 -33.4093 90.0107 95.2915 PRESSAVG: 244600 27.9904 -4.43034 4.93324 -4.43027 -30.5692 -2.60697 4.93325 -2.60699 -4.04326 GPRESSAVG: 244600 27.3919 -3.0938 5.14021 -2.19864 -28.7206 -2.74164 4.50386 -3.91046 -5.02424 TIMING: 244600 CPU: 762.679, 0.0031092/step Wall: 762.679, 0.0031092/step, 4.10707 hours remaining, 233.621094 MB of memory in use. ENERGY: 244600 4014.1893 20505.4386 14544.9476 257.0236 -203137.1481 3008.8066 0.0000 0.0000 52340.0277 -108466.7147 300.7989 -160806.7424 -108088.2699 300.2023 10.6259 34.6794 765283.4058 -2.2073 -2.1176 PRESSURE: 244800 -187.261 41.3825 44.0491 41.3828 -35.9407 74.3004 44.0489 74.3007 -132.293 GPRESSURE: 244800 -162.593 52.7309 76.9412 67.1645 43.7089 86.163 42.4597 130.665 -142.126 PRESSAVG: 244800 -30.0559 -1.52729 12.4318 -1.52735 -51.5829 -8.5155 12.4318 -8.51544 22.165 GPRESSAVG: 244800 -28.9293 -0.754335 11.6417 -3.30151 -52.6557 -8.92085 12.0944 -6.21477 22.6747 TIMING: 244800 CPU: 763.3, 0.00310402/step Wall: 763.3, 0.00310402/step, 4.10007 hours remaining, 233.621094 MB of memory in use. ENERGY: 244800 3979.8901 20633.9117 14537.4808 242.4171 -202571.1605 2682.7829 0.0000 0.0000 52217.8419 -108276.8360 300.0967 -160494.6779 -107918.7835 300.0073 -118.4982 -87.0034 767215.8443 -19.8246 -19.6368 PRESSURE: 245000 -396.39 81.5035 55.4278 81.504 -520.949 -180.215 55.4269 -180.216 -147.276 GPRESSURE: 245000 -420.918 50.7302 96.9207 38.4277 -447.425 -183.985 48.4249 -41.8685 -116.092 PRESSAVG: 245000 -11.9357 31.9367 12.0739 31.9368 1.85472 -42.0066 12.0739 -42.0065 12.6201 GPRESSAVG: 245000 -13.2037 29.9047 12.1716 32.6692 2.82877 -42.4181 11.8572 -44.1803 12.7762 TIMING: 245000 CPU: 763.922, 0.00311125/step Wall: 763.922, 0.00311125/step, 4.10944 hours remaining, 233.621094 MB of memory in use. ENERGY: 245000 3989.1386 20709.1937 14480.9348 248.7214 -202523.4318 2733.7406 0.0000 0.0000 51965.6968 -108396.0059 298.6476 -160361.7027 -108040.7871 299.9048 -354.8718 -328.1451 766577.8767 0.8464 0.8004 PRESSURE: 245200 -37.6387 -159.769 185.788 -159.769 -348.964 -218.004 185.787 -218.004 148.42 GPRESSURE: 245200 72.1458 -27.2314 116.597 -167.606 -345.443 -213.329 101.833 -167.191 120.947 PRESSAVG: 245200 23.2562 30.747 22.0632 30.747 -55.023 -10.0952 22.0632 -10.0951 0.611902 GPRESSAVG: 245200 23.4977 34.326 23.1109 30.4553 -56.0776 -10.3317 21.0484 -8.135 1.38127 TIMING: 245200 CPU: 764.543, 0.00310318/step Wall: 764.543, 0.00310318/step, 4.09861 hours remaining, 233.621094 MB of memory in use. ENERGY: 245200 3955.5203 20716.0998 14517.5926 250.9477 -202981.3726 2867.1965 0.0000 0.0000 52208.9000 -108465.1158 300.0453 -160674.0158 -108095.0529 299.9850 -79.3943 -50.7833 766491.7173 -10.3850 -10.3995 PRESSURE: 245400 -87.3545 3.58541 -216.102 3.58551 -577.416 -39.4322 -216.102 -39.4332 97.0555 GPRESSURE: 245400 -91.2901 33.6259 -236.402 -67.8768 -502.639 -128.796 -259.778 -68.6574 113.04 PRESSAVG: 245400 2.2793 -21.1889 -30.9667 -21.1889 -46.969 -56.5843 -30.9666 -56.5843 1.77079 GPRESSAVG: 245400 3.13044 -23.5691 -32.8176 -21.6351 -46.5788 -57.9825 -29.793 -58.7027 0.395794 TIMING: 245400 CPU: 765.166, 0.00311906/step Wall: 765.166, 0.00311906/step, 4.11941 hours remaining, 233.621094 MB of memory in use. ENERGY: 245400 3976.5468 20508.2057 14500.7951 254.7416 -202526.2940 2666.6232 0.0000 0.0000 51900.5648 -108718.8169 298.2733 -160619.3816 -108352.5674 299.0508 -189.2382 -160.2963 767312.4409 -14.3063 -14.3509 PRESSURE: 245600 25.5943 -21.9749 -107.916 -21.975 -60.7836 150.473 -107.916 150.473 -114.58 GPRESSURE: 245600 91.5804 18.1246 -65.9653 -51.2201 -141.96 191.497 -87.4012 201.608 -37.6886 PRESSAVG: 245600 49.2385 -6.19391 30.4408 -6.19389 -19.172 -30.7944 30.4407 -30.7944 4.52934 GPRESSAVG: 245600 49.4652 -4.84175 30.8038 -4.8569 -18.5767 -28.5116 28.4186 -31.0853 3.73299 TIMING: 245600 CPU: 765.791, 0.00312128/step Wall: 765.791, 0.00312128/step, 4.12217 hours remaining, 233.621094 MB of memory in use. ENERGY: 245600 4044.5791 20541.8207 14475.5980 246.0570 -202762.3586 2753.2759 0.0000 0.0000 52084.5511 -108616.4768 299.3306 -160701.0279 -108257.1552 299.0963 -49.9231 -29.3560 764509.9866 11.5319 11.5405 PRESSURE: 245800 -81.3206 -127.937 126.243 -127.938 -90.1567 -163.16 126.243 -163.16 300.462 GPRESSURE: 245800 -27.821 -112.449 149.882 -53.1065 -13.5385 -240.144 19.1533 -167.67 237.562 PRESSAVG: 245800 12.7736 -11.7726 3.42205 -11.7725 -14.1649 6.77509 3.42208 6.77516 12.3161 GPRESSAVG: 245800 13.6053 -11.7567 3.02358 -11.591 -15.3405 6.48759 5.36029 8.992 12.4755 TIMING: 245800 CPU: 766.412, 0.00310637/step Wall: 766.412, 0.00310637/step, 4.10231 hours remaining, 233.843750 MB of memory in use. ENERGY: 245800 4032.8311 20571.7851 14527.9414 258.2794 -203477.0511 3096.4207 0.0000 0.0000 52232.5777 -108757.2156 300.1813 -160989.7933 -108397.9275 299.3412 42.9950 65.4008 764000.7504 3.6416 3.5801 PRESSURE: 246000 84.6938 -38.3711 -124.077 -38.371 186.636 67.6924 -124.077 67.6928 -391.03 GPRESSURE: 246000 8.78694 -42.9808 -130.751 -109.17 256.521 92.9355 -346.226 62.6048 -305.224 PRESSAVG: 246000 24.9676 -21.001 -28.8646 -21.001 17.1193 -10.53 -28.8646 -10.5299 -6.7328 GPRESSAVG: 246000 22.6434 -21.8513 -28.795 -22.3513 18.1511 -11.1463 -27.5502 -10.1075 -5.46097 TIMING: 246000 CPU: 767.036, 0.00311884/step Wall: 767.036, 0.00311884/step, 4.1186 hours remaining, 233.843750 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: 246000 3996.0357 20641.7797 14516.4384 253.3761 -202777.8650 2829.6628 0.0000 0.0000 51883.9502 -108656.6220 298.1778 -160540.5722 -108299.9601 299.4762 -39.9001 -13.3052 765124.8452 11.7847 11.7778 PRESSURE: 246200 204.253 119.292 -50.4828 119.292 -321.438 -54.6443 -50.4829 -54.6435 271.712 GPRESSURE: 246200 259.136 140.075 -57.8425 140.755 -264.402 76.0358 -51.0969 -65.8034 234.101 PRESSAVG: 246200 -4.34466 -39.7037 1.84461 -39.7037 12.303 45.3454 1.84457 45.3455 3.83199 GPRESSAVG: 246200 -3.94004 -40.4627 5.15062 -39.8869 12.0103 45.8666 -0.203688 45.2116 3.98021 TIMING: 246200 CPU: 767.657, 0.00310644/step Wall: 767.657, 0.00310644/step, 4.10205 hours remaining, 233.843750 MB of memory in use. ENERGY: 246200 4003.9900 20508.8339 14499.4827 251.6950 -202688.9722 2773.1631 0.0000 0.0000 52006.4925 -108645.3150 298.8820 -160651.8075 -108285.4693 300.0674 51.5092 76.2780 764234.9071 3.9301 4.0168 PRESSURE: 246400 216.692 182.014 -101.711 182.014 -73.6597 -32.9826 -101.711 -32.9817 267.123 GPRESSURE: 246400 304.39 186.15 -47.532 109.17 -86.4066 6.33232 -104.732 -90.1159 288.982 PRESSAVG: 246400 38.4892 -36.8006 -18.1143 -36.8006 -7.66917 -45.0144 -18.1143 -45.0144 -16.9849 GPRESSAVG: 246400 39.9087 -35.1796 -21.3578 -37.3474 -7.73796 -44.0466 -17.1245 -46.4866 -18.2621 TIMING: 246400 CPU: 768.278, 0.00310506/step Wall: 768.278, 0.00310506/step, 4.10005 hours remaining, 233.843750 MB of memory in use. ENERGY: 246400 4010.7835 20501.7611 14496.9900 240.6432 -203074.4636 3142.1129 0.0000 0.0000 52195.6445 -108486.5285 299.9691 -160682.1730 -108117.3604 299.6066 136.7184 168.9886 763351.2188 4.6117 4.6362 PRESSURE: 246600 398.756 143.984 -80.6849 143.984 493.304 -25.0382 -80.685 -25.0387 419.37 GPRESSURE: 246600 547.391 135.693 -34.2492 142.54 408.509 -6.43695 -111.441 17.1356 437.343 PRESSAVG: 246600 64.8859 22.5763 17.9203 22.5763 -14.1928 -48.0993 17.9203 -48.0994 17.0137 GPRESSAVG: 246600 65.4809 21.7282 19.1784 21.4734 -14.6087 -49.4182 17.4957 -47.5927 16.918 TIMING: 246600 CPU: 768.902, 0.00311824/step Wall: 768.902, 0.00311824/step, 4.11729 hours remaining, 233.843750 MB of memory in use. ENERGY: 246600 3928.6981 20564.9066 14475.9097 247.5496 -203098.9307 3041.9139 0.0000 0.0000 52153.7792 -108686.1736 299.7285 -160839.9528 -108314.8446 299.9186 437.1432 464.4144 764078.4250 22.5689 22.5967 PRESSURE: 246800 -59.5427 -186.13 -44.4031 -186.13 -281.257 -288.265 -44.403 -288.265 -14.6698 GPRESSURE: 246800 -91.5101 -107.752 -39.0029 -168.577 -176.956 -219.245 -108.958 -238.529 -4.25368 PRESSAVG: 246800 31.0812 1.17508 12.6668 1.17504 -22.326 0.821616 12.6668 0.821654 -4.23877 GPRESSAVG: 246800 29.6699 1.22127 10.41 3.11121 -22.4326 1.92775 12.5958 -0.894153 -3.23752 TIMING: 246800 CPU: 769.524, 0.00310948/step Wall: 769.524, 0.00310948/step, 4.10554 hours remaining, 233.843750 MB of memory in use. ENERGY: 246800 3928.7021 20496.2273 14501.0295 256.9833 -202482.2802 2333.2154 0.0000 0.0000 52153.3445 -108812.7781 299.7260 -160966.1226 -108446.4283 299.4563 -118.4899 -90.9067 764835.4671 1.5055 1.3333 PRESSURE: 247000 72.713 -153.392 129.577 -153.392 -55.3841 -168.728 129.577 -168.728 -119.205 GPRESSURE: 247000 4.15762 -186.699 209.531 -173.191 12.1976 -155.314 99.8792 -101.412 -35.4388 PRESSAVG: 247000 14.1972 -38.9906 0.0635124 -38.9906 -5.04476 -34.3723 0.0634775 -34.3723 -8.70224 GPRESSAVG: 247000 13.9868 -41.3187 1.75965 -40.4056 -4.72327 -35.2511 -0.824977 -33.3206 -9.699 TIMING: 247000 CPU: 770.149, 0.00312511/step Wall: 770.149, 0.00312511/step, 4.12602 hours remaining, 233.843750 MB of memory in use. ENERGY: 247000 4018.6948 20531.1504 14460.4065 244.1525 -203291.9001 2997.6328 0.0000 0.0000 52148.4348 -108891.4282 299.6978 -161039.8630 -108527.2384 299.2200 -33.9587 -6.3612 763150.1200 0.1501 -0.1451 PRESSURE: 247200 2.97036 -135.701 -190.038 -135.701 -95.0819 311.821 -190.036 311.821 -138.506 GPRESSURE: 247200 28.145 -114.059 -267.951 -236.514 -19.16 299.604 -180.882 249.658 -175.33 PRESSAVG: 247200 28.5839 -27.7869 -15.742 -27.7868 -7.58381 -52.1088 -15.742 -52.1088 -20.8369 GPRESSAVG: 247200 28.2589 -26.7974 -15.9042 -27.0373 -7.89377 -50.0245 -13.4812 -54.4013 -19.6308 TIMING: 247200 CPU: 770.773, 0.00312073/step Wall: 770.773, 0.00312073/step, 4.12005 hours remaining, 233.843750 MB of memory in use. ENERGY: 247200 4052.3432 20460.9407 14541.2992 241.6523 -203339.7291 2943.5438 0.0000 0.0000 52126.7858 -108973.1641 299.5734 -161099.9499 -108606.7785 299.3089 -76.8726 -55.4482 763676.3602 0.0544 0.2448 PRESSURE: 247400 -78.0091 -131.285 141.55 -131.286 0.326136 -51.0244 141.55 -51.0259 -1.3137 GPRESSURE: 247400 -44.9221 -162.421 92.0939 -145.634 48.5169 -109.628 187.787 49.7756 -19.1932 PRESSAVG: 247400 -32.6496 -5.40893 31.5185 -5.40901 11.148 -10.7128 31.5185 -10.7127 -1.58897 GPRESSAVG: 247400 -32.7907 -4.38017 31.0027 -3.58939 10.0887 -14.7654 30.2201 -8.33324 -0.789915 TIMING: 247400 CPU: 771.396, 0.00311683/step Wall: 771.396, 0.00311683/step, 4.11473 hours remaining, 233.843750 MB of memory in use. ENERGY: 247400 4065.7377 20474.9842 14535.6440 250.1932 -203274.0673 2967.9905 0.0000 0.0000 52256.0538 -108723.4638 300.3163 -160979.5177 -108359.8763 299.1417 -26.3322 -5.1995 765595.6348 -7.6969 -7.8307 PRESSURE: 247600 -28.0016 -89.7843 -20.5023 -89.7844 -29.5718 53.5686 -20.5027 53.5679 192.626 GPRESSURE: 247600 -69.5882 -73.3897 -72.4836 -132.94 -12.6494 100.59 -1.89719 59.9188 265.279 PRESSAVG: 247600 -16.4896 -22.781 11.8217 -22.7809 24.9464 19.6517 11.8217 19.6517 7.272 GPRESSAVG: 247600 -16.7556 -22.7715 11.5404 -23.9126 25.6186 23.7798 14.0461 18.1151 6.77503 TIMING: 247600 CPU: 772.019, 0.0031138/step Wall: 772.019, 0.0031138/step, 4.11056 hours remaining, 233.843750 MB of memory in use. ENERGY: 247600 4007.8769 20547.1415 14488.3084 251.0644 -203152.0998 3040.6828 0.0000 0.0000 52206.3140 -108610.7117 300.0304 -160817.0257 -108242.6775 299.6271 45.0176 61.0139 764906.2393 5.2429 5.2127 PRESSURE: 247800 -15.2107 107.87 448.779 107.87 160.759 -6.36019 448.78 -6.36052 -292.565 GPRESSURE: 247800 45.5778 42.2734 294.078 74.8881 114.745 2.54138 414.027 -156.955 -214.045 PRESSAVG: 247800 -39.7279 6.41512 2.89753 6.41512 -4.1581 -8.3625 2.89751 -8.36244 0.836201 GPRESSAVG: 247800 -39.9721 8.27242 2.68591 6.36933 -3.47617 -8.54491 2.60812 -8.85284 0.286735 TIMING: 247800 CPU: 772.639, 0.00310139/step Wall: 772.639, 0.00310139/step, 4.094 hours remaining, 233.843750 MB of memory in use. ENERGY: 247800 4041.2541 20530.5173 14526.4141 264.5339 -202328.8584 2763.9190 0.0000 0.0000 51778.7348 -108423.4852 297.5731 -160202.2200 -108070.0810 299.1750 -49.0056 -17.9072 765441.0187 -14.3499 -14.3872 PRESSURE: 248000 -360.978 -42.8491 7.62227 -42.8493 -171.791 -15.1961 7.62183 -15.1959 -154.755 GPRESSURE: 248000 -368.342 -137.457 -32.5104 -31.882 -13.7327 -28.269 -30.0895 45.285 -226.895 PRESSAVG: 248000 -3.00629 -16.8786 -23.6341 -16.8785 12.8726 -4.81388 -23.6341 -4.81389 3.14218 GPRESSAVG: 248000 -2.53614 -17.2356 -24.4329 -18.1745 13.0589 -5.77749 -24.0292 -0.916112 3.89685 TIMING: 248000 CPU: 773.261, 0.00310972/step Wall: 773.261, 0.00310972/step, 4.10483 hours remaining, 233.843750 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: 248000 3972.5804 20585.2581 14472.7575 238.1878 -202910.0645 2896.9419 0.0000 0.0000 52406.4381 -108337.9007 301.1805 -160744.3388 -107972.2641 299.9491 -229.1747 -202.9899 765170.5961 4.3362 4.8065 PRESSURE: 248200 88.8419 38.1557 -55.4512 38.1553 62.84 188.013 -55.4512 188.014 -60.36 GPRESSURE: 248200 82.5655 25.0092 -30.2306 30.5407 165.82 154.118 50.955 31.5373 -78.0653 PRESSAVG: 248200 -35.6947 13.9124 14.0314 13.9124 24.6498 -32.3926 14.0314 -32.3926 0.687151 GPRESSAVG: 248200 -36.8671 14.0832 15.117 13.6877 24.8448 -30.6424 12.4769 -34.7768 1.53286 TIMING: 248200 CPU: 773.884, 0.00311289/step Wall: 773.884, 0.00311289/step, 4.10884 hours remaining, 233.843750 MB of memory in use. ENERGY: 248200 3937.9246 20435.5963 14581.9079 246.2777 -202861.7758 3002.5586 0.0000 0.0000 52193.6270 -108463.8839 299.9575 -160657.5109 -108096.9059 299.9476 30.4407 56.7733 764576.3417 -3.4526 -3.4965 LDB: ============= START OF LOAD BALANCING ============== 786.36 LDB: ============== END OF LOAD BALANCING =============== 786.361 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 786.362 LDB: ============= START OF LOAD BALANCING ============== 786.675 LDB: Largest compute 6997 load 0.030007 is 15.4% of average load 0.194733 LDB: Average compute 0.004404 is 2.3% of average load 0.194733 LDB: TIME 786.678 LOAD: AVG 0.194733 MAX 0.21541 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.523 MB LDB: TIME 786.679 LOAD: AVG 0.194733 MAX 0.21541 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.523 MB LDB: TIME 786.679 LOAD: AVG 0.194733 MAX 0.21541 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.523 MB LDB: ============== END OF LOAD BALANCING =============== 786.681 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 786.685 PRESSURE: 248400 74.4258 5.1079 108.192 5.10854 -104.307 35.8058 108.192 35.8054 -1.30981 GPRESSURE: 248400 48.8368 43.6276 237.133 -5.1184 -10.8122 119.436 97.4977 89.583 16.4069 PRESSAVG: 248400 -47.1814 -31.6499 -59.8754 -31.6499 40.3559 -1.28312 -59.8754 -1.28319 16.3075 GPRESSAVG: 248400 -45.0203 -30.5278 -59.459 -31.8777 40.2399 -3.16899 -59.7736 -2.23441 14.475 TIMING: 248400 CPU: 774.52, 0.00317951/step Wall: 774.52, 0.00317951/step, 4.1966 hours remaining, 234.039062 MB of memory in use. ENERGY: 248400 3926.6664 20568.4366 14435.6948 252.4175 -202609.1147 2729.9405 0.0000 0.0000 52098.3538 -108597.6052 299.4100 -160695.9590 -108234.2281 299.4333 -10.3969 18.1438 764701.4635 3.1607 3.2315 PRESSURE: 248600 -214.404 -21.0706 -228.221 -21.0701 -158.837 49.4767 -228.22 49.4765 -195.942 GPRESSURE: 248600 -137.39 34.1763 -55.588 -32.256 -200.649 -80.0492 -236.115 -6.04688 -136.592 PRESSAVG: 248600 23.4279 20.7854 -37.1416 20.7853 22.5685 11.7448 -37.1416 11.7448 24.6729 GPRESSAVG: 248600 22.2976 19.3572 -37.6726 20.1779 22.574 12.876 -35.7862 13.7059 26.1523 TIMING: 248600 CPU: 775.14, 0.0031013/step Wall: 775.14, 0.0031013/step, 4.0932 hours remaining, 234.039062 MB of memory in use. ENERGY: 248600 3963.6003 20604.9998 14522.2538 249.0968 -202793.8347 2894.5363 0.0000 0.0000 52101.7263 -108457.6214 299.4293 -160559.3477 -108090.6318 299.8520 -189.7277 -158.2102 765246.4793 23.5565 23.6746 PRESSURE: 248800 160.891 -156.721 108.18 -156.721 136.968 98.4071 108.18 98.4073 -393.792 GPRESSURE: 248800 185.225 -148.254 87.6415 -276.305 136.076 23.7756 -1.95959 260.219 -321.819 PRESSAVG: 248800 27.1869 -25.9965 -47.6125 -25.9965 -23.9851 -19.2963 -47.6125 -19.2962 10.1577 GPRESSAVG: 248800 26.9717 -24.3547 -47.6739 -24.5914 -23.6828 -20.674 -47.7042 -19.7236 10.2242 TIMING: 248800 CPU: 775.76, 0.00310177/step Wall: 775.76, 0.00310177/step, 4.09365 hours remaining, 234.039062 MB of memory in use. ENERGY: 248800 4096.4316 20560.7991 14512.9053 240.3989 -203127.0266 3151.3395 0.0000 0.0000 51966.3937 -108598.7584 298.6516 -160565.1521 -108239.0508 299.0606 -31.9776 -0.1725 765638.4585 4.4532 4.5044 PRESSURE: 249000 70.2999 -114.701 -142.315 -114.701 -377.33 240.524 -142.315 240.523 -192.238 GPRESSURE: 249000 87.149 -71.0596 -178.692 -115.041 -343.935 210.223 -46.1776 114.403 -171.495 PRESSAVG: 249000 19.9243 -21.5248 19.4644 -21.5248 -64.4235 47.5658 19.4645 47.5658 -7.27089 GPRESSAVG: 249000 19.678 -22.7837 20.3325 -21.9326 -64.3533 48.9566 17.6961 47.2909 -6.90619 TIMING: 249000 CPU: 776.381, 0.00310363/step Wall: 776.381, 0.00310363/step, 4.09593 hours remaining, 234.039062 MB of memory in use. ENERGY: 249000 4002.9841 20553.9483 14458.6448 255.5762 -203129.7444 2851.1448 0.0000 0.0000 52358.7250 -108648.7211 300.9063 -161007.4461 -108275.6359 299.3127 -166.4229 -142.7606 765928.7212 -17.2567 -17.1938 PRESSURE: 249200 6.16017 -87.671 -111.238 -87.6711 -251.18 -8.71828 -111.238 -8.71836 -362.347 GPRESSURE: 249200 6.63761 69.066 -135.41 -5.25625 -244.224 88.1184 -68.5601 -80.8701 -297.961 PRESSAVG: 249200 -0.62521 -17.4025 -1.29444 -17.4025 -24.457 -7.57406 -1.29442 -7.57404 7.09567 GPRESSAVG: 249200 0.0280783 -16.0576 -1.9572 -18.2389 -24.4582 -7.9061 0.786893 -8.06237 6.34232 TIMING: 249200 CPU: 777.007, 0.00313061/step Wall: 777.007, 0.00313061/step, 4.13136 hours remaining, 234.039062 MB of memory in use. ENERGY: 249200 3941.4772 20639.1472 14462.9834 255.6417 -202435.6142 2609.6552 0.0000 0.0000 51830.5634 -108696.1461 297.8710 -160526.7095 -108338.9955 299.3462 -202.4558 -178.5158 767822.0572 -5.9955 -6.0293 PRESSURE: 249400 -506.568 -238.185 -236.19 -238.185 -241.125 158.387 -236.19 158.388 -255.46 GPRESSURE: 249400 -393.947 -299.656 -190.069 -183.152 -274.646 93.9769 -138.859 159.912 -241.147 PRESSAVG: 249400 -15.7169 -70.233 -3.1924 -70.233 26.2729 41.673 -3.19237 41.673 -2.75642 GPRESSAVG: 249400 -15.1672 -72.1815 -2.9905 -69.6909 26.7828 41.3159 -4.58777 43.0438 -3.2832 TIMING: 249400 CPU: 777.628, 0.00310627/step Wall: 777.628, 0.00310627/step, 4.09907 hours remaining, 234.039062 MB of memory in use. ENERGY: 249400 4059.6469 20681.0955 14472.7402 251.3904 -203186.8350 2654.8921 0.0000 0.0000 52272.3208 -108794.7492 300.4097 -161067.0700 -108431.5789 299.3460 -334.3843 -303.2468 766099.1729 2.5999 2.7775 PRESSURE: 249600 177.367 -153.347 -174.314 -153.346 234.776 95.131 -174.315 95.132 -200.61 GPRESSURE: 249600 106.977 -176.041 -118.009 -72.9258 301.156 88.1763 -204.625 -11.3883 -111.3 PRESSAVG: 249600 -30.2401 -24.3288 30.0005 -24.3287 41.8968 25.7935 30.0005 25.7936 8.17138 GPRESSAVG: 249600 -30.8139 -23.7194 30.9426 -24.8177 41.1809 27.3052 31.6329 24.4317 10.1225 TIMING: 249600 CPU: 778.248, 0.00309689/step Wall: 778.248, 0.00309689/step, 4.08652 hours remaining, 234.039062 MB of memory in use. ENERGY: 249600 4096.1787 20493.6382 14443.5295 229.8045 -203278.4872 3082.8879 0.0000 0.0000 52021.0730 -108911.3754 298.9658 -160932.4485 -108544.6740 299.4944 70.5106 98.9445 765579.5839 6.6094 6.8299 PRESSURE: 249800 -193.623 162.515 -185.747 162.514 80.9065 -150.703 -185.746 -150.704 -31.2917 GPRESSURE: 249800 -158.553 228.961 -56.1093 139.541 69.8162 -222.61 -240.145 -41.4344 11.7755 PRESSAVG: 249800 -60.9197 33.3245 2.23459 33.3245 43.4164 37.1518 2.23463 37.1518 12.1868 GPRESSAVG: 249800 -60.4459 34.2005 1.72277 34.121 43.759 36.7943 1.47684 35.8463 11.1748 TIMING: 249800 CPU: 778.867, 0.0030983/step Wall: 778.867, 0.0030983/step, 4.0882 hours remaining, 234.039062 MB of memory in use. ENERGY: 249800 4039.0388 20547.9373 14495.8669 237.8725 -202987.6793 2816.0267 0.0000 0.0000 51886.1992 -108964.7380 298.1907 -160850.9372 -108599.0892 298.7418 -48.0029 -25.6537 765032.3831 -1.7722 -1.8373 PRESSURE: 250000 -174.497 -93.3473 -118.639 -93.3473 -330.28 134.746 -118.639 134.745 -61.1418 GPRESSURE: 250000 -144.44 -108.296 -92.8267 -195.168 -268.959 76.2692 -37.8711 107.694 -65.9181 PRESSAVG: 250000 -46.8715 -30.0328 -3.9118 -30.0328 97.1988 22.3821 -3.91185 22.3821 9.70222 GPRESSAVG: 250000 -46.4584 -32.3866 -4.41167 -30.855 96.843 22.0278 -2.26922 22.5392 9.699 TIMING: 250000 CPU: 779.487, 0.00309889/step Wall: 779.487, 0.00309889/step, 4.08882 hours remaining, 234.039062 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: 250000 3997.1174 20311.1015 14436.5812 257.6720 -203288.2562 2983.7214 0.0000 0.0000 52063.7350 -109238.3279 299.2110 -161302.0628 -108875.0091 298.5506 -188.6397 -159.7724 765441.6926 20.0099 20.0279 PRESSURE: 250200 -512.498 -44.5353 90.2235 -44.5354 180.917 98.7513 90.2244 98.752 -54.7788 GPRESSURE: 250200 -365.813 -75.8356 166.68 -70.874 161.675 64.2165 80.3613 172.409 -100.022 PRESSAVG: 250200 26.6206 -14.5178 -20.2948 -14.5177 4.60195 22.1697 -20.2947 22.1696 16.7109 GPRESSAVG: 250200 27.2086 -13.292 -20.6278 -14.0984 4.09594 21.6219 -22.0079 24.0937 17.2184 TIMING: 250200 CPU: 780.111, 0.00311991/step Wall: 780.111, 0.00311991/step, 4.11637 hours remaining, 234.039062 MB of memory in use. ENERGY: 250200 4005.2745 20500.1129 14422.4456 274.7050 -202947.3797 2770.8884 0.0000 0.0000 51920.9274 -109053.0259 298.3903 -160973.9533 -108690.6284 298.6155 -128.7866 -101.3865 766220.2239 15.9778 16.1743 PRESSURE: 250400 -8.05404 69.6805 -168.604 69.6812 -315.228 -75.3185 -168.604 -75.319 -85.8097 GPRESSURE: 250400 60.2165 98.3985 -271.16 121.998 -391.763 -100.192 -169.242 -7.89617 -22.5147 PRESSAVG: 250400 -16.9991 -12.7321 25.2852 -12.7321 6.25809 29.3226 25.2852 29.3227 11.1469 GPRESSAVG: 250400 -17.1968 -11.347 26.5802 -11.9255 6.39013 30.9212 26.3257 28.0669 10.5723 TIMING: 250400 CPU: 780.736, 0.0031225/step Wall: 780.736, 0.0031225/step, 4.11962 hours remaining, 234.039062 MB of memory in use. ENERGY: 250400 4072.6431 20346.2891 14402.7482 250.6906 -203208.4513 2944.9690 0.0000 0.0000 51806.0822 -109385.0291 297.7303 -161191.1113 -109033.9837 297.8485 -136.3640 -118.0205 765309.4829 0.1353 -0.0781 PRESSURE: 250600 -227.06 -158.562 -173.248 -158.562 -34.3216 -10.3597 -173.247 -10.3593 149.146 GPRESSURE: 250600 -117.395 -104.048 -186.559 -178.411 -28.3482 -87.0361 -207.97 91.5466 128.637 PRESSAVG: 250600 -21.1401 -22.2982 36.1922 -22.2982 37.1583 3.79346 36.1922 3.79346 9.10282 GPRESSAVG: 250600 -21.1519 -21.9501 35.9768 -23.0381 37.891 3.13223 36.7925 3.99809 8.77801 TIMING: 250600 CPU: 781.358, 0.00311039/step Wall: 781.358, 0.00311039/step, 4.10347 hours remaining, 234.039062 MB of memory in use. ENERGY: 250600 3943.7989 20306.6285 14427.6343 256.6434 -203463.7240 3196.4820 0.0000 0.0000 52093.3144 -109239.2224 299.3810 -161332.5369 -108873.4283 298.1002 -37.4118 -5.7020 763432.3278 8.3737 8.5057 PRESSURE: 250800 -65.6175 -284.102 200.755 -284.102 -6.39379 17.6538 200.754 17.6528 -24.1335 GPRESSURE: 250800 -72.6501 -222.192 311.807 -143.048 90.018 -19.5502 111.791 -8.97721 -12.2751 PRESSAVG: 250800 -78.0961 -36.4225 17.7685 -36.4224 66.7016 57.6688 17.7686 57.6689 2.48103 GPRESSAVG: 250800 -79.8324 -37.5545 17.1914 -35.3174 67.6961 57.0841 18.2357 57.4368 3.60389 TIMING: 250800 CPU: 781.979, 0.00310773/step Wall: 781.979, 0.00310773/step, 4.09979 hours remaining, 234.039062 MB of memory in use. ENERGY: 250800 4050.6328 20381.2415 14412.0761 247.9887 -203131.3640 2901.3724 0.0000 0.0000 51990.8100 -109147.2426 298.7919 -161138.0526 -108802.5751 298.4835 -32.0483 1.6976 763632.8969 -2.9711 -2.8441 PRESSURE: 251000 -31.0823 16.7563 -133.957 16.7565 120.311 -126.066 -133.956 -126.064 -277.232 GPRESSURE: 251000 13.0551 -146.41 -211.485 -113.599 152.46 -94.2933 -0.0941278 -118.928 -251.363 PRESSAVG: 251000 -20.5633 -20.9593 15.8826 -20.9593 29.3999 14.1934 15.8827 14.1934 11.7296 GPRESSAVG: 251000 -18.6815 -20.8412 16.7304 -22.1085 28.4341 13.2141 13.6847 13.0849 10.7477 TIMING: 251000 CPU: 782.602, 0.0031143/step Wall: 782.602, 0.0031143/step, 4.10828 hours remaining, 234.039062 MB of memory in use. ENERGY: 251000 4102.7955 20333.9233 14441.9349 252.4663 -203095.4602 2740.0732 0.0000 0.0000 52028.9055 -109195.3616 299.0108 -161224.2671 -108838.2442 298.6389 -62.6677 -28.6161 765107.2369 6.8554 6.8334 PRESSURE: 251200 -210.608 106.098 -47.3365 106.097 -233.964 -253.002 -47.336 -253.001 -147.933 GPRESSURE: 251200 -170.415 91.3761 -11.7157 83.0279 -236.398 -177.906 -88.1311 -122.03 -106.266 PRESSAVG: 251200 -27.9227 15.5376 -11.9851 15.5376 14.5741 -62.6903 -11.9852 -62.6902 4.84823 GPRESSAVG: 251200 -28.3312 14.3776 -12.4369 16.0829 14.8193 -62.5645 -12.1021 -59.7968 4.90807 TIMING: 251200 CPU: 783.223, 0.00310467/step Wall: 783.223, 0.00310467/step, 4.09541 hours remaining, 234.039062 MB of memory in use. ENERGY: 251200 3975.4195 20671.4933 14494.2468 229.0472 -203205.6833 2463.7242 0.0000 0.0000 51903.3127 -109468.4396 298.2891 -161371.7523 -109114.0568 298.0989 -197.5017 -171.0262 763827.3070 -2.8335 -2.8679 PRESSURE: 251400 -87.5033 90.1699 -129.513 90.1698 64.7683 86.6618 -129.514 86.662 -419.382 GPRESSURE: 251400 -8.11478 243.321 -131.999 -68.7102 46.2044 107.711 -193.2 67.1877 -408.524 PRESSAVG: 251400 -8.92832 12.922 -2.18918 12.9219 10.8985 -22.8068 -2.18917 -22.8068 -9.76762 GPRESSAVG: 251400 -7.20718 13.0282 -3.48942 14.24 9.91143 -20.7994 -2.02486 -24.2989 -9.50479 TIMING: 251400 CPU: 783.848, 0.00312656/step Wall: 783.848, 0.00312656/step, 4.1241 hours remaining, 234.039062 MB of memory in use. ENERGY: 251400 3950.8487 20622.5953 14487.9319 249.1409 -202967.1589 2586.4735 0.0000 0.0000 51732.6127 -109337.5559 297.3080 -161070.1686 -108982.4216 297.9729 -147.3722 -123.4782 763812.7422 -2.5991 -2.2668 PRESSURE: 251600 -150.54 -97.2629 49.4486 -97.2624 -64.4295 145.674 49.449 145.674 94.5103 GPRESSURE: 251600 -160.944 -94.2673 14.9401 -110.235 -37.2268 140.368 50.778 117.341 159.575 PRESSAVG: 251600 4.10181 -29.2859 -40.2148 -29.2858 8.69423 15.0743 -40.2149 15.0744 24.9747 GPRESSAVG: 251600 3.46576 -27.2738 -39.513 -30.1416 9.75236 13.591 -42.3007 16.5947 24.5809 TIMING: 251600 CPU: 784.468, 0.00309832/step Wall: 784.468, 0.00309832/step, 4.08668 hours remaining, 234.039062 MB of memory in use. ENERGY: 251600 4022.1843 20504.9968 14409.7378 251.3336 -203783.4509 3215.1660 0.0000 0.0000 52073.0643 -109306.9682 299.2646 -161380.0324 -108943.2626 297.8900 -40.1531 -12.8655 762496.9458 12.5903 12.5997 PRESSURE: 251800 28.8866 -208.668 21.0977 -208.667 -26.6631 -31.3227 21.098 -31.322 -147.016 GPRESSURE: 251800 164.002 -177.77 8.11204 -217.135 -130.336 -48.2497 44.9209 -115.518 -80.0832 PRESSAVG: 251800 -0.174148 -12.0377 2.86903 -12.0376 52.4762 -17.6233 2.86906 -17.6234 -4.61566 GPRESSAVG: 251800 -0.781471 -12.3142 2.03321 -12.1497 51.5832 -16.8685 5.18492 -20.9235 -2.98718 TIMING: 251800 CPU: 785.089, 0.00310359/step Wall: 785.089, 0.00310359/step, 4.09346 hours remaining, 234.039062 MB of memory in use. ENERGY: 251800 4100.4459 20551.6400 14417.1892 263.4306 -203457.0160 2989.2339 0.0000 0.0000 51887.5707 -109247.5057 298.1986 -161135.0764 -108900.2961 298.5041 -48.2642 -15.4723 763790.0444 15.8955 15.9382 PRESSURE: 252000 208.16 -24.216 -6.46016 -24.2156 120.665 -90.2835 -6.46015 -90.2838 195.763 GPRESSURE: 252000 283.013 -27.0194 42.119 -72.4513 138.476 -112.837 -1.17704 -28.2841 188.895 PRESSAVG: 252000 -28.6652 -1.16939 28.4525 -1.1694 18.2208 13.9569 28.4525 13.9569 -4.13247 GPRESSAVG: 252000 -29.374 -0.72043 29.1337 -1.9924 19.9391 12.5442 27.2682 15.064 -4.97219 TIMING: 252000 CPU: 785.71, 0.00310678/step Wall: 785.71, 0.00310678/step, 4.0975 hours remaining, 234.039062 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: 252000 4004.8890 20444.1377 14428.2146 265.2300 -204005.2942 3392.1149 0.0000 0.0000 52064.0637 -109406.6444 299.2129 -161470.7081 -109042.1940 298.3801 174.8626 203.4612 763331.8848 -4.8590 -4.8024 PRESSURE: 252200 -183.899 -272.711 86.8198 -272.711 85.7837 -146.228 86.8195 -146.229 -80.3571 GPRESSURE: 252200 -76.1607 -27.7945 74.2409 -346.889 35.8884 -145.317 97.0313 -181.055 -68.45 PRESSAVG: 252200 -24.2034 -42.0096 34.6217 -42.0095 18.0063 28.2976 34.6217 28.2976 -0.253793 GPRESSAVG: 252200 -23.5482 -42.1437 33.3083 -41.1494 16.3472 29.3717 37.3409 28.8933 0.669779 TIMING: 252200 CPU: 786.332, 0.00311126/step Wall: 786.332, 0.00311126/step, 4.10323 hours remaining, 234.039062 MB of memory in use. ENERGY: 252200 3940.8275 20397.9217 14390.4122 245.6997 -202862.9387 2860.6756 0.0000 0.0000 51745.0342 -109282.3679 297.3794 -161027.4021 -108925.7616 297.8681 -59.4909 -36.2407 765620.1111 -2.1503 -2.1771 LDB: ============= START OF LOAD BALANCING ============== 798.809 LDB: ============== END OF LOAD BALANCING =============== 798.809 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 798.811 LDB: ============= START OF LOAD BALANCING ============== 799.121 LDB: Largest compute 7052 load 0.028782 is 14.8% of average load 0.194718 LDB: Average compute 0.004382 is 2.3% of average load 0.194718 LDB: TIME 799.125 LOAD: AVG 0.194718 MAX 0.215729 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.297 MB LDB: TIME 799.125 LOAD: AVG 0.194718 MAX 0.215729 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.297 MB LDB: TIME 799.125 LOAD: AVG 0.194718 MAX 0.215729 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.297 MB LDB: ============== END OF LOAD BALANCING =============== 799.128 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 799.133 PRESSURE: 252400 -364.09 -43.4521 258.937 -43.4515 292.102 89.5124 258.938 89.5128 -334.616 GPRESSURE: 252400 -301.938 -55.8524 213.818 24.0082 153.544 215.684 112.718 31.6245 -185.669 PRESSAVG: 252400 -28.4247 -63.5416 28.1873 -63.5416 -21.399 -22.3218 28.1874 -22.3219 -6.78177 GPRESSAVG: 252400 -28.038 -62.7922 28.5755 -61.7168 -21.5953 -21.7457 27.919 -22.4208 -6.91837 TIMING: 252400 CPU: 786.967, 0.00317229/step Wall: 786.967, 0.00317229/step, 4.18354 hours remaining, 234.347656 MB of memory in use. ENERGY: 252400 4041.4353 20414.2756 14415.1568 249.0838 -203473.2179 2761.0036 0.0000 0.0000 52265.1702 -109327.0926 300.3687 -161592.2628 -108971.1067 297.4613 -135.5346 -111.3543 763259.1037 -18.8685 -18.8505 PRESSURE: 252600 -77.894 167.742 -162.024 167.741 -98.4254 100.236 -162.024 100.235 271.2 GPRESSURE: 252600 -56.2355 180.22 -107.878 179.422 1.69712 55.9319 -199.486 142.346 224.07 PRESSAVG: 252600 33.8827 22.1114 88.8397 22.1114 20.5496 18.7974 88.8397 18.7974 20.5897 GPRESSAVG: 252600 33.5554 18.6104 89.1882 20.6318 22.3131 20.7997 87.8185 17.6478 18.9408 TIMING: 252600 CPU: 787.588, 0.00310449/step Wall: 787.588, 0.00310449/step, 4.09396 hours remaining, 234.546875 MB of memory in use. ENERGY: 252600 4016.4232 20490.9086 14361.2282 242.9234 -203004.4001 2644.9361 0.0000 0.0000 51756.1050 -109491.8756 297.4430 -161247.9807 -109141.7765 297.8384 31.6268 56.5107 763570.8905 25.0073 24.9364 PRESSURE: 252800 -101.76 -199.279 -51.0881 -199.279 -291.008 36.5372 -51.0884 36.5367 -116.893 GPRESSURE: 252800 -45.6058 -194.532 -120.581 -271.82 -184.82 25.8841 3.52487 181.214 -210.22 PRESSAVG: 252800 -9.67677 -17.7934 12.4555 -17.7934 -15.4082 34.4415 12.4556 34.4415 13.9454 GPRESSAVG: 252800 -10.1829 -16.7494 11.4384 -17.555 -15.8963 30.8825 12.5634 36.466 14.8472 TIMING: 252800 CPU: 788.207, 0.00309704/step Wall: 788.207, 0.00309704/step, 4.08397 hours remaining, 234.546875 MB of memory in use. ENERGY: 252800 4046.6888 20504.5813 14452.6785 242.7086 -202844.7096 2601.3853 0.0000 0.0000 51869.0771 -109127.5900 298.0923 -160996.6671 -108773.2449 297.8014 -169.8869 -146.8817 763484.1558 -3.7132 -3.7440 PRESSURE: 253000 -197.759 169.874 -55.63 169.874 -155.165 -40.9276 -55.6307 -40.929 138.232 GPRESSURE: 253000 -174.44 200.918 -115.283 76.1799 -99.0892 10.6089 -93.9605 -15.1876 119.923 PRESSAVG: 253000 -19.9625 8.68841 -29.1529 8.68847 35.5408 29.9441 -29.153 29.9441 3.19613 GPRESSAVG: 253000 -20.6753 8.51436 -28.7196 9.4302 35.4622 32.6435 -27.1681 26.4106 3.94035 TIMING: 253000 CPU: 788.827, 0.00309853/step Wall: 788.827, 0.00309853/step, 4.08575 hours remaining, 234.546875 MB of memory in use. ENERGY: 253000 4020.5411 20464.1805 14417.2889 256.1557 -203280.3792 2895.8289 0.0000 0.0000 51939.3467 -109287.0375 298.4961 -161226.3842 -108920.4357 297.8315 -71.5640 -51.2018 763273.9977 6.2581 6.2424 PRESSURE: 253200 270.427 -205.013 89.0282 -205.012 -102.064 -86.9095 89.0287 -86.9089 252.793 GPRESSURE: 253200 287.319 -139.656 79.7264 -189.96 -130.247 -75.43 68.0167 -126.978 333.179 PRESSAVG: 253200 -29.7495 -32.8039 5.74802 -32.8038 19.7732 67.1805 5.74805 67.1806 0.832486 GPRESSAVG: 253200 -30.3609 -31.7238 5.78773 -33.2542 21.1083 67.2956 3.35597 68.0146 -0.0587204 TIMING: 253200 CPU: 789.446, 0.00309716/step Wall: 789.446, 0.00309716/step, 4.08378 hours remaining, 234.546875 MB of memory in use. ENERGY: 253200 3956.0306 20554.9070 14517.1694 263.7678 -203471.6404 3300.7877 0.0000 0.0000 51735.8272 -109143.1507 297.3265 -160878.9778 -108781.0819 298.1553 140.3852 163.4169 763500.3132 -3.0479 -3.1038 PRESSURE: 253400 72.3369 -166.45 48.3333 -166.45 -1.67186 77.3442 48.3335 77.3432 195.099 GPRESSURE: 253400 112.729 -171.756 139.051 -150.353 45.4578 82.069 166.062 87.619 188.507 PRESSAVG: 253400 -15.729 -27.0418 44.2747 -27.0418 -4.41424 29.4491 44.2746 29.4492 -9.61297 GPRESSAVG: 253400 -14.1226 -26.0406 45.5007 -28.9982 -5.36269 28.5421 45.1551 29.6123 -10.5237 TIMING: 253400 CPU: 790.063, 0.00308211/step Wall: 790.063, 0.00308211/step, 4.06376 hours remaining, 234.546875 MB of memory in use. ENERGY: 253400 3961.3274 20365.0565 14429.4733 258.7463 -203545.0224 3323.5301 0.0000 0.0000 52131.8384 -109075.0504 299.6024 -161206.8888 -108710.5881 298.5945 88.5882 115.5647 764978.8362 -9.9187 -10.0030 PRESSURE: 253600 -206.389 91.287 54.7704 91.2875 301.954 40.6838 54.7704 40.6835 -188.987 GPRESSURE: 253600 -146.286 79.8761 67.4737 72.6037 209.071 79.875 -149.232 55.6729 -86.2692 PRESSAVG: 253600 -4.75828 -54.7351 89.6685 -54.7351 11.7313 7.37172 89.6684 7.37172 -6.20368 GPRESSAVG: 253600 -4.5542 -53.1819 87.8844 -56.4646 10.5692 8.00853 88.5965 8.04485 -5.28307 TIMING: 253600 CPU: 790.678, 0.00307758/step Wall: 790.678, 0.00307758/step, 4.05762 hours remaining, 234.546875 MB of memory in use. ENERGY: 253600 3988.0715 20538.6779 14467.3781 246.8016 -202839.8196 2890.6502 0.0000 0.0000 51605.2371 -109103.0032 296.5760 -160708.2403 -108750.9430 298.2768 -31.1410 -7.8282 765203.7074 0.2564 0.2440 PRESSURE: 253800 -121.789 -37.7609 38.9022 -37.7602 -198.308 -46.4137 38.9017 -46.4137 -86.6051 GPRESSURE: 253800 -73.3715 39.3546 84.8811 -79.4247 -129.365 14.6556 -74.4302 48.2616 -110.216 PRESSAVG: 253800 37.5285 -33.3011 50.8575 -33.3012 -1.48194 -27.8742 50.8575 -27.8741 -1.43014 GPRESSAVG: 253800 38.0526 -32.9894 52.1852 -31.6656 -1.24875 -29.5954 50.9886 -28.3177 -1.72827 TIMING: 253800 CPU: 791.295, 0.00308584/step Wall: 791.295, 0.00308583/step, 4.06833 hours remaining, 234.546875 MB of memory in use. ENERGY: 253800 4053.9182 20416.5374 14481.9867 264.1207 -203235.9697 2976.9440 0.0000 0.0000 52131.8804 -108910.5824 299.6026 -161042.4627 -108549.5104 298.9479 -135.5674 -104.3176 764620.2440 11.5388 11.6919 PRESSURE: 254000 468.838 23.2017 83.6427 23.2012 347.155 -133.216 83.6418 -133.216 358.026 GPRESSURE: 254000 563.267 3.9607 42.9841 97.87 309.391 -79.3128 130.911 -78.523 390.091 PRESSAVG: 254000 -20.2589 -9.27473 43.4102 -9.27468 -14.7522 16.0343 43.4101 16.0343 7.98928 GPRESSAVG: 254000 -20.9323 -10.156 43.1109 -9.14556 -13.8591 17.5788 42.8204 16.3796 7.51805 TIMING: 254000 CPU: 791.916, 0.00310227/step Wall: 791.916, 0.00310227/step, 4.08982 hours remaining, 234.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 254000 3965.5807 20415.3958 14491.2850 218.5846 -203551.3282 3358.2955 0.0000 0.0000 52285.4727 -108816.7139 300.4853 -161102.1867 -108454.5345 299.3077 391.3399 420.9163 764773.5962 -9.0073 -9.0911 PRESSURE: 254200 64.3582 86.4509 218.221 86.4509 -65.5439 90.1093 218.221 90.1098 -40.2812 GPRESSURE: 254200 171.733 117.923 169.278 56.7269 -107.452 10.5497 184.01 111.683 -14.6909 PRESSAVG: 254200 -17.7558 -43.8481 -8.08776 -43.8481 -3.47041 7.04955 -8.08775 7.04955 -14.3487 GPRESSAVG: 254200 -16.954 -46.1177 -6.98195 -42.1978 -3.69174 6.88783 -9.46901 7.78146 -15.0239 TIMING: 254200 CPU: 792.535, 0.00309457/step Wall: 792.535, 0.00309457/step, 4.07951 hours remaining, 234.546875 MB of memory in use. ENERGY: 254200 4063.4366 20546.7965 14548.2152 259.9234 -203030.4337 2904.2295 0.0000 0.0000 51907.0839 -108800.7484 298.3107 -160707.8324 -108447.9052 299.0957 -13.8223 16.5300 765388.7496 -11.8583 -11.8899 PRESSURE: 254400 -318.019 203.297 91.7863 203.297 -337.707 -33.2693 91.7865 -33.2694 -34.077 GPRESSURE: 254400 -301.224 151.372 37.12 87.7213 -265.555 16.973 24.3233 -33.3253 -60.7138 PRESSAVG: 254400 -41.4926 -4.85219 -13.1126 -4.85211 17.9737 47.721 -13.1126 47.721 -3.70602 GPRESSAVG: 254400 -41.7138 -6.02991 -16.7341 -5.62805 18.9261 45.7595 -10.8491 50.2564 -4.3997 TIMING: 254400 CPU: 793.154, 0.00309678/step Wall: 793.154, 0.00309678/step, 4.08225 hours remaining, 234.546875 MB of memory in use. ENERGY: 254400 3983.7230 20494.3035 14406.6983 251.7026 -202425.2944 2354.9367 0.0000 0.0000 51922.5896 -109011.3408 298.3998 -160933.9303 -108650.2899 298.8604 -229.9342 -209.1645 765232.6307 -9.0750 -9.0625 PRESSURE: 254600 -168.031 -160.635 20.0778 -160.634 -294.511 -67.5456 20.0776 -67.5444 -182.322 GPRESSURE: 254600 -143.655 -169.215 -10.3421 -144.066 -229.114 -66.3205 -51.5091 -1.34676 -181.287 PRESSAVG: 254600 20.1969 -56.739 2.26624 -56.739 22.2902 -12.0702 2.26629 -12.0702 12.6227 GPRESSAVG: 254600 19.0405 -54.4482 2.8785 -56.201 21.0385 -8.63524 1.6936 -14.3038 15.1946 TIMING: 254600 CPU: 793.774, 0.00309932/step Wall: 793.774, 0.00309932/step, 4.08542 hours remaining, 234.546875 MB of memory in use. ENERGY: 254600 3956.3262 20531.8250 14453.3856 251.6417 -202768.6216 2661.1896 0.0000 0.0000 51829.4783 -109084.7752 297.8647 -160914.2534 -108728.5420 298.2304 -214.9549 -184.6853 764084.6308 18.3699 18.4245 PRESSURE: 254800 -60.2673 -173.566 130.086 -173.566 176.927 239.739 130.086 239.738 572.737 GPRESSURE: 254800 57.6286 14.8176 103.055 -204.139 162.41 211.31 31.5163 164.695 542.688 PRESSAVG: 254800 3.00195 -19.9373 -28.8011 -19.9373 -21.4562 -28.7851 -28.8011 -28.7852 -11.3609 GPRESSAVG: 254800 3.70718 -20.9642 -29.0182 -20.9895 -19.6242 -30.6757 -27.9248 -28.2718 -13.7529 TIMING: 254800 CPU: 794.397, 0.00311451/step Wall: 794.397, 0.00311451/step, 4.10527 hours remaining, 234.546875 MB of memory in use. ENERGY: 254800 4048.7350 20432.6434 14472.9631 247.4470 -203317.0807 3091.0753 0.0000 0.0000 52112.1226 -108912.0944 299.4891 -161024.2170 -108547.8124 298.8514 229.7988 254.2423 763114.5676 -9.9384 -9.8900 PRESSURE: 255000 -236.432 -190.428 184.615 -190.428 -178.695 -14.664 184.615 -14.6644 111.203 GPRESSURE: 255000 -172.918 -213.838 129.39 -188.393 -175.632 90.5082 287.687 -119.034 128.915 PRESSAVG: 255000 -13.0715 -63.8991 12.2704 -63.8992 6.98301 -4.69037 12.2704 -4.69035 9.21273 GPRESSAVG: 255000 -13.4931 -64.2923 13.5501 -65.2173 5.62779 -3.32354 12.5364 -7.16591 10.696 TIMING: 255000 CPU: 795.02, 0.0031154/step Wall: 795.02, 0.0031154/step, 4.10627 hours remaining, 234.546875 MB of memory in use. ENERGY: 255000 4026.9334 20422.5360 14513.4224 248.6752 -202787.1238 2648.1679 0.0000 0.0000 51900.8613 -109026.5277 298.2750 -160927.3890 -108670.5464 298.9139 -101.3081 -73.2118 764687.9324 1.0414 0.9436 PRESSURE: 255200 -57.9132 -91.3867 237.624 -91.386 -227.618 65.0854 237.625 65.0853 -81.9592 GPRESSURE: 255200 -12.8191 -68.3583 265.768 -18.4448 -265.92 92.9494 151.332 125.285 -13.9267 PRESSAVG: 255200 17.9008 -42.4036 9.07297 -42.4036 26.9596 -38.8108 9.07303 -38.8109 -0.00413443 GPRESSAVG: 255200 18.2032 -41.7897 10.1174 -40.5807 26.0736 -39.8453 6.09736 -34.5833 -0.00260393 TIMING: 255200 CPU: 795.641, 0.00310585/step Wall: 795.641, 0.00310585/step, 4.09351 hours remaining, 234.546875 MB of memory in use. ENERGY: 255200 4016.5236 20544.2878 14497.4100 263.1320 -203230.0577 2997.4717 0.0000 0.0000 52058.8866 -108852.3460 299.1831 -160911.2326 -108496.6394 298.8457 -122.4968 -97.5553 763993.7353 14.9521 14.7581 PRESSURE: 255400 247.816 -18.8652 6.48238 -18.8662 161.81 90.5155 6.48244 90.5147 156.225 GPRESSURE: 255400 294.083 40.1592 -36.6414 -59.4109 185.511 151.765 160.64 -24.0449 146.584 PRESSAVG: 255400 4.11486 -35.4086 59.4113 -35.4086 19.8382 -5.35133 59.4113 -5.3513 13.5857 GPRESSAVG: 255400 5.29181 -35.6547 58.7309 -36.899 20.4686 -6.25309 58.4174 -6.83664 11.6428 TIMING: 255400 CPU: 796.26, 0.00309594/step Wall: 796.26, 0.00309594/step, 4.08027 hours remaining, 234.546875 MB of memory in use. ENERGY: 255400 4103.2670 20631.2476 14405.1980 223.3574 -203320.4585 3148.4475 0.0000 0.0000 52131.2769 -108677.6641 299.5992 -160808.9410 -108318.7395 299.5122 188.6171 208.7260 764058.4326 12.5129 12.4677 PRESSURE: 255600 106.699 -117.423 97.4736 -117.424 106.844 -26.7621 97.4738 -26.7623 47.3851 GPRESSURE: 255600 162.371 -89.0287 109.541 -59.8507 138.418 -10.1251 153.932 14.8116 53.8637 PRESSAVG: 255600 27.6787 -47.4978 -7.23229 -47.4978 14.0831 11.8495 -7.23221 11.8495 12.5451 GPRESSAVG: 255600 27.2775 -45.7352 -8.14243 -47.6371 14.2069 12.9394 -3.86943 10.4912 13.2186 TIMING: 255600 CPU: 796.883, 0.00311496/step Wall: 796.883, 0.00311496/step, 4.10517 hours remaining, 234.546875 MB of memory in use. ENERGY: 255600 4028.8609 20534.0137 14516.5796 254.6100 -203431.2417 3237.0581 0.0000 0.0000 51882.4010 -108977.7184 298.1689 -160860.1193 -108617.3962 299.6068 86.9761 118.2178 763563.5880 18.1023 18.2343 PRESSURE: 255800 -33.798 61.0706 46.3886 61.0708 47.9693 -106.339 46.3887 -106.338 184.923 GPRESSURE: 255800 -18.9853 95.6323 114.483 40.1716 107.03 -180.881 56.2172 -108.7 208.407 PRESSAVG: 255800 20.5984 -52.7795 29.6069 -52.7795 -19.0497 -38.6342 29.607 -38.6342 -21.0146 GPRESSAVG: 255800 19.4334 -54.6769 30.4833 -50.7657 -18.6729 -39.2559 26.9247 -37.1614 -20.4191 TIMING: 255800 CPU: 797.505, 0.00310799/step Wall: 797.505, 0.00310799/step, 4.09581 hours remaining, 234.546875 MB of memory in use. ENERGY: 255800 4037.2404 20482.5282 14494.7857 223.6111 -203448.6193 3118.5339 0.0000 0.0000 52010.8924 -109081.0275 298.9073 -161091.9199 -108727.3141 299.0667 66.3648 98.8171 765094.8872 -6.4886 -6.5529 PRESSURE: 256000 -285.894 -182.89 -34.1683 -182.889 -339.694 -22.8186 -34.1689 -22.8194 -93.261 GPRESSURE: 256000 -252.197 -98.0817 14.9176 -158.828 -274.135 -92.4299 151.374 -10.265 -108.273 PRESSAVG: 256000 -59.3094 -63.2533 17.7982 -63.2533 4.10641 -26.6422 17.7983 -26.6422 -5.95431 GPRESSAVG: 256000 -58.9935 -63.4733 17.7456 -65.9178 2.83592 -25.1013 17.8191 -28.4246 -5.07461 TIMING: 256000 CPU: 798.123, 0.00309028/step Wall: 798.123, 0.00309028/step, 4.07231 hours remaining, 234.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 256000 4034.3151 20640.8604 14527.3984 245.4104 -203325.1904 2915.1801 0.0000 0.0000 52081.0618 -108880.9643 299.3106 -160962.0261 -108512.6143 299.0853 -239.6163 -211.5350 765560.9272 -20.3858 -20.4107 PRESSURE: 256200 283.104 85.744 -118.407 85.744 181.598 -54.7094 -118.408 -54.709 330.359 GPRESSURE: 256200 333.795 220.713 -124.934 69.7248 196.189 -19.3571 -81.5569 -86.7641 360.956 PRESSAVG: 256200 -10.8025 -0.438192 -14.7982 -0.438131 64.7596 6.32353 -14.7982 6.32352 11.3424 GPRESSAVG: 256200 -12.6982 1.26245 -15.2162 0.462643 66.4003 4.72299 -13.5165 7.41942 11.9966 TIMING: 256200 CPU: 798.747, 0.00312087/step Wall: 798.747, 0.00312087/step, 4.11244 hours remaining, 234.546875 MB of memory in use. ENERGY: 256200 4086.3286 20412.1841 14510.1055 245.2150 -203268.2576 2969.2562 0.0000 0.0000 52116.6502 -108928.5180 299.5151 -161045.1682 -108568.3522 299.2461 265.0205 296.9801 764952.4016 21.7665 21.8996 LDB: ============= START OF LOAD BALANCING ============== 811.225 LDB: ============== END OF LOAD BALANCING =============== 811.226 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 811.227 LDB: ============= START OF LOAD BALANCING ============== 811.538 LDB: Largest compute 7052 load 0.028084 is 14.4% of average load 0.194719 LDB: Average compute 0.004400 is 2.3% of average load 0.194719 LDB: TIME 811.542 LOAD: AVG 0.194719 MAX 0.215679 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.094 MB LDB: TIME 811.542 LOAD: AVG 0.194719 MAX 0.215679 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.094 MB LDB: TIME 811.542 LOAD: AVG 0.194719 MAX 0.215679 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.094 MB LDB: ============== END OF LOAD BALANCING =============== 811.544 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 811.549 PRESSURE: 256400 41.4407 22.8852 -18.4104 22.8849 -32.5523 -16.8373 -18.4101 -16.8369 -235.346 GPRESSURE: 256400 134.839 -50.3383 -61.5065 28.1169 -76.227 6.15711 -91.6141 1.63646 -190.929 PRESSAVG: 256400 24.3522 -40.898 0.103749 -40.8981 -49.3282 -11.3193 0.103711 -11.3193 -13.9714 GPRESSAVG: 256400 26.3509 -40.7201 0.729593 -41.3501 -51.5099 -12.2816 -3.53504 -12.1272 -14.394 TIMING: 256400 CPU: 799.383, 0.00318024/step Wall: 799.383, 0.00318024/step, 4.19049 hours remaining, 233.121094 MB of memory in use. ENERGY: 256400 3963.7296 20601.8766 14508.3766 252.6650 -203838.7194 3318.0067 0.0000 0.0000 52120.7732 -109073.2918 299.5388 -161194.0650 -108703.6343 298.8638 -75.4860 -44.1059 765776.1607 -12.9825 -13.1844 PRESSURE: 256600 -103.327 172.197 112.801 172.197 152.165 83.6176 112.802 83.617 148.719 GPRESSURE: 256600 -92.4402 88.3311 122.612 80.9967 185.129 64.9063 148.707 54.9362 180.919 PRESSAVG: 256600 -45.6358 -42.8276 -27.8837 -42.8276 21.2577 -10.8414 -27.8838 -10.8414 17.3519 GPRESSAVG: 256600 -45.8428 -44.8116 -27.4825 -41.4929 21.3497 -7.94839 -25.9474 -10.7397 17.8095 TIMING: 256600 CPU: 800.005, 0.00310821/step Wall: 800.005, 0.00310821/step, 4.09542 hours remaining, 233.121094 MB of memory in use. ENERGY: 256600 4016.5677 20469.1454 14472.4982 248.9909 -203134.2624 2807.5373 0.0000 0.0000 52131.2368 -108988.2861 299.5989 -161119.5229 -108624.6966 298.7892 65.8524 91.2028 766341.3627 -2.3421 -2.2279 PRESSURE: 256800 -25.4509 -91.9683 73.2128 -91.969 57.8314 56.7252 73.2129 56.7245 324.833 GPRESSURE: 256800 42.508 -137.304 109.706 -22.5141 140.029 39.8783 -39.6665 -37.7886 247.923 PRESSAVG: 256800 11.4026 48.0437 -31.6143 48.0438 -55.1495 -5.65298 -31.6144 -5.653 10.3275 GPRESSAVG: 256800 11.2146 49.0321 -31.539 48.2639 -54.3276 -7.94414 -33.0383 -4.71342 9.48495 TIMING: 256800 CPU: 800.625, 0.00310176/step Wall: 800.625, 0.00310176/step, 4.08674 hours remaining, 233.121094 MB of memory in use. ENERGY: 256800 3988.1818 20611.8302 14447.0740 237.1517 -203761.2250 3434.7013 0.0000 0.0000 51959.4463 -109082.8395 298.6117 -161042.2859 -108727.9294 298.5437 119.0713 143.4868 764954.5707 -11.1398 -11.2094 PRESSURE: 257000 -482.039 -21.8787 130.171 -21.878 -382.156 133.039 130.171 133.038 -180.997 GPRESSURE: 257000 -421.313 58.5299 111.515 76.9849 -409.345 4.69709 156.924 157.462 -138.732 PRESSAVG: 257000 -16.5533 -48.9715 73.1688 -48.9715 22.5133 -16.2781 73.1687 -16.2781 8.2857 GPRESSAVG: 257000 -16.8836 -49.3036 72.0806 -47.7578 22.6817 -15.0769 76.1167 -17.4794 8.31182 TIMING: 257000 CPU: 801.246, 0.0031059/step Wall: 801.246, 0.0031059/step, 4.09202 hours remaining, 233.121094 MB of memory in use. ENERGY: 257000 3893.2607 20475.5361 14446.1401 233.5089 -203049.3550 2761.4163 0.0000 0.0000 52198.4328 -109041.0601 299.9851 -161239.4929 -108669.0267 298.9998 -348.3972 -323.1299 767767.8211 4.7486 4.7033 PRESSURE: 257200 -71.5456 -15.3862 66.8245 -15.3861 139.46 3.03539 66.825 3.03385 -4.84663 GPRESSURE: 257200 -9.89355 1.3303 96.3347 10.6911 159.773 -38.1617 3.06303 -1.25625 -20.6748 PRESSAVG: 257200 -43.9167 -27.9128 -16.2798 -27.9127 54.5326 14.0288 -16.2798 14.0288 -15.8072 GPRESSAVG: 257200 -44.3959 -25.46 -15.1316 -31.716 55.184 12.9796 -16.631 14.3767 -16.0969 TIMING: 257200 CPU: 801.867, 0.00310557/step Wall: 801.867, 0.00310557/step, 4.09141 hours remaining, 233.121094 MB of memory in use. ENERGY: 257200 3920.6268 20453.9382 14555.1889 268.1521 -203332.3922 3104.8541 0.0000 0.0000 52090.5421 -108939.0899 299.3651 -161029.6320 -108576.8672 299.0382 21.0225 43.0681 765187.6645 -1.7304 -1.7696 PRESSURE: 257400 -201.792 -98.3379 -216.97 -98.3374 156.869 -124.379 -216.969 -124.378 249.108 GPRESSURE: 257400 -110.235 9.30839 -167.186 -21.4417 148.115 -25.2746 -272.328 -117.606 245.327 PRESSAVG: 257400 15.3633 47.9488 -71.1438 47.9488 -30.2611 -45.6624 -71.1437 -45.6625 0.543125 GPRESSAVG: 257400 16.455 43.7241 -71.8488 52.9541 -32.2331 -44.9803 -74.1969 -44.4976 1.03024 TIMING: 257400 CPU: 802.489, 0.00310949/step Wall: 802.489, 0.00310949/step, 4.0964 hours remaining, 233.121094 MB of memory in use. ENERGY: 257400 4020.1725 20420.8618 14442.6058 239.6864 -202879.4680 2871.5938 0.0000 0.0000 52018.5066 -108866.0412 298.9511 -160884.5478 -108495.7154 298.3982 68.0618 94.4024 766115.5351 -4.7849 -4.9159 PRESSURE: 257600 204.801 148.39 -44.3056 148.39 -134.822 257.138 -44.306 257.138 435.277 GPRESSURE: 257600 220.142 188.647 -55.1496 154.358 -73.6726 366.612 94.9287 146.156 441.57 PRESSAVG: 257600 0.55781 -0.439703 12.3571 -0.439692 -15.1042 -22.9685 12.3571 -22.9685 12.7611 GPRESSAVG: 257600 -0.850413 1.46352 14.6179 -3.1039 -14.3581 -22.6379 12.3699 -21.9325 13.61 TIMING: 257600 CPU: 803.112, 0.00311351/step Wall: 803.112, 0.00311351/step, 4.10153 hours remaining, 233.121094 MB of memory in use. ENERGY: 257600 3991.4963 20429.5001 14530.6328 223.3962 -203143.0965 3170.4587 0.0000 0.0000 51961.5973 -108836.0151 298.6240 -160797.6125 -108474.7809 298.7426 168.4189 196.0130 764166.9134 -0.5951 -0.5328 PRESSURE: 257800 -71.5612 -16.0532 20.3685 -16.0534 -74.85 -247.995 20.3684 -247.994 154.132 GPRESSURE: 257800 -190.837 26.2881 -53.3049 -48.6436 61.755 -151.16 19.3627 -111.848 229.622 PRESSAVG: 257800 -22.6259 -54.94 2.40305 -54.9399 10.982 8.41644 2.40308 8.41639 -23.0528 GPRESSAVG: 257800 -23.0856 -56.1972 -0.154737 -56.0722 10.5623 10.2917 4.79277 4.29618 -22.5446 TIMING: 257800 CPU: 803.735, 0.00311471/step Wall: 803.735, 0.00311471/step, 4.10294 hours remaining, 233.121094 MB of memory in use. ENERGY: 257800 3960.2730 20708.9070 14498.7865 246.9156 -203120.0689 3170.5205 0.0000 0.0000 51794.4405 -108740.2259 297.6634 -160534.6664 -108388.0679 298.9211 2.5737 33.5133 765832.0397 -11.5656 -11.6893 PRESSURE: 258000 307.35 -60.7343 -58.5428 -60.7333 144.512 197.033 -58.5429 197.031 592.813 GPRESSURE: 258000 359.785 -7.97053 -37.3572 50.1107 218.347 141.256 -83.5955 298.493 543.63 PRESSAVG: 258000 -42.5686 -41.2595 21.3191 -41.2594 0.543574 -51.1623 21.319 -51.1623 13.8096 GPRESSAVG: 258000 -42.0107 -41.2819 22.4933 -40.5199 1.08333 -53.1263 19.7176 -48.7344 12.3523 TIMING: 258000 CPU: 804.356, 0.00310629/step Wall: 804.356, 0.00310629/step, 4.09167 hours remaining, 233.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 258000 3956.2461 20583.3191 14561.1142 231.5314 -203450.7605 3153.5082 0.0000 0.0000 52083.2103 -108881.8312 299.3229 -160965.0416 -108522.2154 298.9499 348.2252 373.9206 764008.4196 -9.4051 -9.5250 PRESSURE: 258200 -13.4507 126.387 44.877 126.387 87.3163 -173.751 44.8758 -173.752 -67.5511 GPRESSURE: 258200 -30.5558 83.2298 51.8953 85.7167 94.0376 -122.869 18.2202 -249.904 24.9928 PRESSAVG: 258200 3.27886 -8.99424 -29.5552 -8.99419 -17.4623 -61.5204 -29.5553 -61.5204 -6.33947 GPRESSAVG: 258200 3.8202 -8.93722 -29.9815 -7.2632 -18.2386 -63.4983 -28.8219 -62.0894 -6.27033 TIMING: 258200 CPU: 804.98, 0.00311738/step Wall: 804.98, 0.00311738/step, 4.10611 hours remaining, 233.121094 MB of memory in use. ENERGY: 258200 4012.5589 20573.2709 14571.1409 236.2793 -203004.2605 2973.6534 0.0000 0.0000 52011.8424 -108625.5148 298.9128 -160637.3572 -108264.0342 299.4873 2.1048 29.4915 764240.7882 -6.8410 -6.8962 PRESSURE: 258400 -5.12756 19.9144 -199.992 19.9136 293.34 116.882 -199.991 116.883 102.78 GPRESSURE: 258400 137.444 37.0984 -182.806 4.44343 277.801 108.513 -232.429 110.879 64.8624 PRESSAVG: 258400 -11.7227 -66.3447 -32.7464 -66.3447 34.5498 -1.83214 -32.7464 -1.83217 -23.8024 GPRESSAVG: 258400 -13.0856 -65.4182 -34.0797 -66.5705 36.0015 0.284848 -33.6427 -1.39645 -23.6085 TIMING: 258400 CPU: 805.602, 0.00311389/step Wall: 805.602, 0.00311389/step, 4.10134 hours remaining, 233.121094 MB of memory in use. ENERGY: 258400 3976.3467 20576.2208 14490.7564 256.7694 -203013.9562 2888.4053 0.0000 0.0000 52251.4463 -108574.0114 300.2898 -160825.4577 -108208.6158 299.4455 130.3309 160.0357 765490.6113 -0.3251 -0.2309 PRESSURE: 258600 -87.7374 -65.6599 69.3844 -65.6599 -126.304 -57.8087 69.3838 -57.8085 -275.45 GPRESSURE: 258600 -112.324 -17.8525 94.0507 -22.1954 3.02501 -95.7712 -105.376 -42.9626 -301.167 PRESSAVG: 258600 5.43442 -28.9825 -33.5193 -28.9825 -30.5928 43.5767 -33.5194 43.5766 7.4022 GPRESSAVG: 258600 6.95159 -28.5818 -33.0135 -29.9941 -31.5925 42.5377 -32.5118 42.6736 7.15469 TIMING: 258600 CPU: 806.227, 0.00312295/step Wall: 806.227, 0.00312295/step, 4.1131 hours remaining, 233.121094 MB of memory in use. ENERGY: 258600 4054.6147 20619.7555 14555.5885 256.5666 -203338.6880 3286.0289 0.0000 0.0000 52175.5042 -108390.6296 299.8533 -160566.1339 -108029.9647 299.8360 -163.1635 -136.8219 767130.9286 -5.9187 -5.8287 PRESSURE: 258800 322.971 98.3143 -141.864 98.3142 36.631 -119.988 -141.864 -119.988 -292.446 GPRESSURE: 258800 334.885 -38.7243 -218.81 135.598 24.0018 -213.186 -229.547 -23.5803 -196.895 PRESSAVG: 258800 39.1248 -26.5822 -62.7962 -26.5822 -57.6298 -23.994 -62.7961 -23.994 13.1989 GPRESSAVG: 258800 38.477 -28.7518 -62.9894 -25.2897 -56.5515 -23.5039 -64.5375 -26.0758 12.929 TIMING: 258800 CPU: 806.852, 0.00312258/step Wall: 806.852, 0.00312258/step, 4.11243 hours remaining, 233.121094 MB of memory in use. ENERGY: 258800 4103.8399 20731.3922 14477.6212 253.8238 -203168.8848 3086.3251 0.0000 0.0000 52319.6624 -108196.2201 300.6818 -160515.8825 -107833.7017 300.3351 22.3854 53.9970 766787.5793 -1.7687 -1.7152 PRESSURE: 259000 -48.9778 58.1998 -72.1756 58.1994 -386.687 55.0541 -72.176 55.0553 -21.2437 GPRESSURE: 259000 -5.6343 68.0498 -146.725 99.2966 -409.989 -31.4727 26.5281 76.8079 59.0466 PRESSAVG: 259000 6.89944 -32.179 -47.7142 -32.1791 -11.0412 -26.0339 -47.7142 -26.034 -17.8657 GPRESSAVG: 259000 5.95889 -29.3951 -48.5801 -33.1459 -11.4558 -26.3871 -47.0349 -22.9143 -16.369 TIMING: 259000 CPU: 807.477, 0.00312945/step Wall: 807.477, 0.00312945/step, 4.12131 hours remaining, 233.121094 MB of memory in use. ENERGY: 259000 4018.8953 20674.6054 14463.1192 259.8152 -202835.0944 3010.2079 0.0000 0.0000 52097.6038 -108310.8476 299.4056 -160408.4514 -107936.9465 299.9955 -152.3029 -118.8589 765829.0594 -7.3358 -7.2886 PRESSURE: 259200 244.128 64.3681 237.474 64.3694 -225.557 -10.3281 237.474 -10.3282 -21.5049 GPRESSURE: 259200 304.948 -3.2675 201.358 107.2 -183.257 10.9223 327.158 -11.1835 -51.9984 PRESSAVG: 259200 1.47976 -50.1962 -29.9547 -50.1963 -3.65058 14.7365 -29.9547 14.7366 -8.04374 GPRESSAVG: 259200 3.81882 -51.7724 -29.5637 -51.9477 -5.3002 14.7028 -28.9412 12.7564 -8.63883 TIMING: 259200 CPU: 808.105, 0.00314/step Wall: 808.105, 0.00314/step, 4.13504 hours remaining, 233.121094 MB of memory in use. ENERGY: 259200 4046.7365 20469.1934 14549.3806 258.3761 -202920.4694 2884.1679 0.0000 0.0000 52112.8143 -108599.8006 299.4931 -160712.6149 -108236.9432 299.8136 -0.9779 23.2308 763463.3179 -3.4049 -3.3734 PRESSURE: 259400 333.399 -169.293 117.501 -169.294 136.382 -154.033 117.5 -154.032 -82.4714 GPRESSURE: 259400 385.262 -156.048 197.707 -91.0735 67.7064 -106.731 130.235 -78.0027 -6.52077 PRESSAVG: 259400 -30.1879 -41.1306 22.1071 -41.1306 5.95452 -30.5666 22.1071 -30.5667 1.33112 GPRESSAVG: 259400 -31.9672 -40.914 24.7193 -42.1558 7.58561 -31.0194 22.0971 -27.7195 0.925225 TIMING: 259400 CPU: 808.727, 0.00310708/step Wall: 808.727, 0.00310708/step, 4.0915 hours remaining, 233.121094 MB of memory in use. ENERGY: 259400 4020.2439 20586.5207 14580.4577 246.4772 -203345.5334 3301.5899 0.0000 0.0000 51836.2230 -108774.0211 297.9035 -160610.2440 -108403.4072 299.6713 129.1032 148.8158 764630.7775 -7.6341 -7.8188 PRESSURE: 259600 -137.491 -281.281 -1.42853 -281.28 162.454 13.0085 -1.42827 13.0091 128.963 GPRESSURE: 259600 -6.41007 -180.554 48.2019 -347.598 138.514 28.1103 104.94 -71.9869 85.6339 PRESSAVG: 259600 10.3516 -28.7082 48.2844 -28.7082 30.3706 -5.17981 48.2844 -5.17984 -2.11197 GPRESSAVG: 259600 9.83394 -29.328 46.4809 -24.3593 30.5988 -4.70691 48.0233 -6.79622 -1.1611 TIMING: 259600 CPU: 809.346, 0.00309716/step Wall: 809.346, 0.00309716/step, 4.07827 hours remaining, 233.121094 MB of memory in use. ENERGY: 259600 3998.0360 20533.4998 14523.6471 232.0358 -203065.8475 2984.7971 0.0000 0.0000 51958.5268 -108835.3050 298.6064 -160793.8318 -108478.5864 299.3691 51.3086 72.5793 765954.8948 12.8701 13.0906 PRESSURE: 259800 275.909 -240.387 56.6248 -240.387 232.7 18.3803 56.6241 18.3796 -37.4777 GPRESSURE: 259800 326.835 -173.369 -74.3196 -98.0964 193.114 4.18671 4.46623 -5.43351 36.6034 PRESSAVG: 259800 20.3434 -82.5944 27.4061 -82.5944 -20.959 -1.46603 27.4061 -1.46609 -6.95846 GPRESSAVG: 259800 21.8013 -80.5366 26.0953 -83.4358 -21.4915 -0.503946 27.2888 -1.26228 -7.73254 TIMING: 259800 CPU: 809.97, 0.00311842/step Wall: 809.97, 0.00311842/step, 4.10609 hours remaining, 233.121094 MB of memory in use. ENERGY: 259800 3977.0404 20497.5118 14517.6272 245.3225 -203391.0546 2995.4470 0.0000 0.0000 52230.8469 -108927.2587 300.1714 -161158.1057 -108558.8886 299.3972 157.0437 185.5173 764882.6129 -2.5247 -2.4742 PRESSURE: 260000 245.412 114.367 12.5774 114.367 229.771 74.8909 12.5764 74.8908 -229.876 GPRESSURE: 260000 127.764 135.333 -61.3842 -37.2451 324.407 95.4176 -36.7362 119.063 -109.203 PRESSAVG: 260000 -63.1502 -7.40337 -7.29505 -7.40333 45.0151 -31.963 -7.29513 -31.963 8.9122 GPRESSAVG: 260000 -64.4221 -9.10235 -6.22406 -9.21369 45.5934 -32.8234 -8.46 -32.4893 9.84315 TIMING: 260000 CPU: 810.589, 0.0030947/step Wall: 810.589, 0.0030947/step, 4.07469 hours remaining, 233.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 260000 3986.4896 20509.6430 14471.9416 243.1857 -203157.6471 3046.7497 0.0000 0.0000 52026.3751 -108873.2624 298.9963 -160899.6374 -108509.4315 298.8586 81.7689 114.3225 767048.6377 -3.0743 -2.9952 PRESSURE: 260200 -206.288 136.853 -106.497 136.852 -275.456 -202.147 -106.496 -202.147 -2.91439 GPRESSURE: 260200 -235.103 167.669 -78.6523 137.424 -191.844 -277.796 -109.644 -133.561 15.8207 PRESSAVG: 260200 29.8284 -0.51055 12.8913 -0.510565 1.11899 12.6693 12.8912 12.6693 -1.88403 GPRESSAVG: 260200 30.1231 0.79602 9.91728 0.913738 0.61505 10.7088 13.4974 12.3409 -1.78644 TIMING: 260200 CPU: 811.213, 0.00311949/step Wall: 811.213, 0.00311949/step, 4.10715 hours remaining, 233.121094 MB of memory in use. ENERGY: 260200 4006.7371 20629.1639 14514.6223 247.9015 -203161.2348 2899.4785 0.0000 0.0000 52015.3748 -108847.9568 298.9331 -160863.3316 -108478.5019 299.4515 -161.5527 -137.0422 766613.5892 9.6878 9.6506 LDB: ============= START OF LOAD BALANCING ============== 823.69 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 823.69 LDB: =============== DONE WITH MIGRATION ================ 823.692 LDB: ============= START OF LOAD BALANCING ============== 824.003 LDB: Largest compute 6997 load 0.030001 is 15.4% of average load 0.194680 LDB: Average compute 0.004395 is 2.3% of average load 0.194680 LDB: TIME 824.006 LOAD: AVG 0.19468 MAX 0.216734 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.664 MB LDB: TIME 824.007 LOAD: AVG 0.19468 MAX 0.216734 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.664 MB LDB: TIME 824.007 LOAD: AVG 0.19468 MAX 0.216734 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.664 MB LDB: ============== END OF LOAD BALANCING =============== 824.009 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 824.014 PRESSURE: 260400 -403.209 261.734 -155.579 261.735 -168.941 -11.3574 -155.579 -11.3569 -7.40742 GPRESSURE: 260400 -348.621 213.713 -72.8786 164.944 -128.693 13.7673 -82.181 31.4383 -3.54158 PRESSAVG: 260400 22.4942 -21.9074 -9.50268 -21.9075 23.5162 4.69139 -9.50268 4.69152 10.7334 GPRESSAVG: 260400 22.8822 -23.7232 -7.2555 -23.4659 23.5197 8.87479 -8.78224 4.54103 10.2378 TIMING: 260400 CPU: 811.848, 0.00317545/step Wall: 811.848, 0.00317545/step, 4.18066 hours remaining, 234.867188 MB of memory in use. ENERGY: 260400 4010.5456 20505.9969 14458.7782 256.9976 -203115.1744 2956.4694 0.0000 0.0000 52148.2836 -108778.1032 299.6969 -160926.3867 -108416.6547 299.7406 -193.1860 -160.2850 766601.2296 18.9146 18.8799 PRESSURE: 260600 -81.752 169.502 108.767 169.502 155.691 76.064 108.767 76.065 61.0487 GPRESSURE: 260600 -63.8541 9.47571 84.251 187.96 141.755 123.816 41.6931 60.7557 130.893 PRESSAVG: 260600 41.9096 -30.2826 1.74477 -30.2827 -45.4545 -5.95149 1.7448 -5.95156 -4.27301 GPRESSAVG: 260600 42.2714 -29.9398 2.61698 -29.5911 -44.8999 -6.91553 0.496968 -5.73695 -5.13861 TIMING: 260600 CPU: 812.471, 0.00311454/step Wall: 812.471, 0.00311454/step, 4.1003 hours remaining, 235.070312 MB of memory in use. ENERGY: 260600 4008.1202 20489.0248 14421.0525 250.8648 -202846.4369 2990.4577 0.0000 0.0000 52005.5617 -108681.3551 298.8767 -160686.9169 -108324.1553 299.2917 44.9958 69.5981 766212.7048 -2.6060 -2.5890 PRESSURE: 260800 71.0793 -58.2669 163.514 -58.2656 171.109 -87.2998 163.515 -87.3003 -136.02 GPRESSURE: 260800 48.6104 -128.205 108.293 -50.8451 227.628 -189.337 141.334 53.7776 -71.0809 PRESSAVG: 260800 20.0277 -2.36817 -34.8817 -2.36818 -23.1408 20.2719 -34.8818 20.2719 -28.3337 GPRESSAVG: 260800 19.4595 -3.17071 -35.6628 -4.00582 -23.6721 18.1592 -34.4335 19.7538 -27.1276 TIMING: 260800 CPU: 813.093, 0.00311073/step Wall: 813.093, 0.00311073/step, 4.0951 hours remaining, 235.070312 MB of memory in use. ENERGY: 260800 3934.2463 20568.7719 14465.6654 245.3542 -202709.8544 2796.7222 0.0000 0.0000 51868.9768 -108830.1176 298.0917 -160699.0943 -108475.8430 299.5371 35.3894 68.3857 764500.3382 -10.4823 -10.4467 PRESSURE: 261000 104.526 62.239 -139.806 62.2388 -83.063 256.019 -139.805 256.02 333.573 GPRESSURE: 261000 240.953 106.349 -46.1126 24.352 -105.351 252.751 -32.0532 267.389 295.345 PRESSAVG: 261000 43.2566 -49.8333 30.5105 -49.8334 -14.2499 -28.1579 30.5105 -28.158 10.378 GPRESSAVG: 261000 43.3902 -49.2603 32.3536 -49.7374 -14.4406 -26.6719 32.4192 -27.6201 10.2098 TIMING: 261000 CPU: 813.714, 0.00310588/step Wall: 813.714, 0.00310588/step, 4.08855 hours remaining, 235.070312 MB of memory in use. ENERGY: 261000 3993.2865 20600.1495 14415.3352 230.6386 -203111.5346 2875.1247 0.0000 0.0000 52472.6754 -108524.3248 301.5612 -160997.0002 -108164.3768 299.6106 118.3454 143.6491 764537.8071 13.1282 13.0531 PRESSURE: 261200 63.5249 -38.1252 198.841 -38.1252 48.0976 16.5823 198.84 16.5831 -30.3608 GPRESSURE: 261200 109.862 -45.3926 135.665 -70.5665 60.7201 -37.615 98.2883 3.26342 15.9559 PRESSAVG: 261200 40.871 8.60249 61.4351 8.60251 -55.8854 2.77099 61.4351 2.77103 -12.4354 GPRESSAVG: 261200 40.7243 8.99756 57.7618 9.12747 -55.1343 2.14348 60.7405 2.29315 -12.9109 TIMING: 261200 CPU: 814.337, 0.00311191/step Wall: 814.337, 0.00311191/step, 4.09631 hours remaining, 235.070312 MB of memory in use. ENERGY: 261200 3985.9792 20655.9373 14405.3284 256.0420 -202830.4059 2826.8670 0.0000 0.0000 52320.8523 -108379.3996 300.6887 -160700.2519 -108023.7396 300.1808 27.0872 62.1793 764124.4815 -9.1499 -9.1070 PRESSURE: 261400 -344.965 45.9097 -96.6292 45.9095 -83.8107 238.692 -96.6287 238.691 514.822 GPRESSURE: 261400 -341.146 37.5638 -108.306 68.2614 -51.846 294.931 -108.652 232.337 570.834 PRESSAVG: 261400 -1.08618 -14.6274 -12.6565 -14.6274 2.84652 14.3517 -12.6565 14.3517 -18.174 GPRESSAVG: 261400 -1.03646 -14.1175 -10.3375 -16.0746 1.35873 14.2568 -15.7932 14.2415 -16.5658 TIMING: 261400 CPU: 814.965, 0.00314012/step Wall: 814.965, 0.00314012/step, 4.13327 hours remaining, 235.070312 MB of memory in use. ENERGY: 261400 3995.4626 20534.2165 14513.1031 246.2815 -203179.7778 2948.9092 0.0000 0.0000 52305.8516 -108635.9533 300.6024 -160941.8049 -108258.8312 300.0573 28.6820 59.2804 763054.1060 -5.4712 -5.4145 PRESSURE: 261600 146.276 -117.633 24.0063 -117.634 222.383 -86.7896 24.0061 -86.7894 365.936 GPRESSURE: 261600 186.995 -74.3201 1.45336 -36.4821 294.498 -111.043 84.4761 -133.359 322.743 PRESSAVG: 261600 -27.3084 -0.181621 -27.3533 -0.18157 -3.26706 15.866 -27.3533 15.8661 15.8864 GPRESSAVG: 261600 -28.1822 -2.42668 -28.4646 0.515782 -2.21917 16.4917 -24.4807 16.8639 15.438 TIMING: 261600 CPU: 815.59, 0.00312791/step Wall: 815.59, 0.00312791/step, 4.11703 hours remaining, 235.070312 MB of memory in use. ENERGY: 261600 3994.2234 20718.8801 14434.2311 245.7841 -203895.2819 3527.1909 0.0000 0.0000 52334.1216 -108640.8508 300.7649 -160974.9724 -108268.7793 299.9061 244.8648 268.0790 762455.8052 -4.8964 -4.9878 PRESSURE: 261800 -413.139 -82.7114 45.6549 -82.7116 154.489 -67.7928 45.6553 -67.7929 -194.438 GPRESSURE: 261800 -362.38 -81.6267 68.5274 64.5351 188.421 -96.9554 -67.4968 9.97053 -191.184 PRESSAVG: 261800 14.9592 -22.7812 17.7669 -22.7813 -24.1518 38.1616 17.767 38.1616 2.75708 GPRESSAVG: 261800 14.8212 -22.1767 18.8109 -20.7526 -24.0478 37.1733 16.7759 39.6087 2.9089 TIMING: 261800 CPU: 816.213, 0.00311638/step Wall: 816.213, 0.00311638/step, 4.10168 hours remaining, 235.070312 MB of memory in use. ENERGY: 261800 4026.2235 20578.9140 14463.1699 254.2456 -203179.9121 3129.9276 0.0000 0.0000 52138.7984 -108588.6331 299.6424 -160727.4315 -108224.8978 299.8492 -151.0292 -121.7144 765904.4764 -2.1452 -2.1059 PRESSURE: 262000 -339.778 -32.3379 -169.382 -32.3386 -160.984 142.599 -169.381 142.601 29.5645 GPRESSURE: 262000 -270.132 -97.7965 -187.616 2.65915 -203.304 73.8291 -204.608 171.156 74.3891 PRESSAVG: 262000 -6.90838 -5.44859 -38.5383 -5.44865 26.6407 -14.3051 -38.5383 -14.305 16.0735 GPRESSAVG: 262000 -6.01687 -5.44018 -39.863 -6.19377 26.889 -13.0242 -39.218 -17.9018 15.2914 TIMING: 262000 CPU: 816.834, 0.00310299/step Wall: 816.834, 0.00310299/step, 4.08388 hours remaining, 235.070312 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: 262000 4011.3346 20532.3959 14435.6876 253.5170 -202669.8809 2655.8749 0.0000 0.0000 52340.2697 -108440.8012 300.8002 -160781.0709 -108077.6323 299.7870 -157.0657 -133.0158 764769.0115 11.9353 12.0545 PRESSURE: 262200 167.373 34.9088 -118.132 34.9083 -301.62 12.0845 -118.132 12.0851 -120.528 GPRESSURE: 262200 208.992 115.064 -117.124 -47.5304 -323.911 25.2199 -17.5862 9.82939 -43.0814 PRESSAVG: 262200 26.1197 -6.78091 9.23925 -6.78096 -11.988 -0.964016 9.23918 -0.96398 9.79413 GPRESSAVG: 262200 26.8367 -8.78738 10.555 -7.41533 -12.3305 -1.78676 9.66918 1.29638 9.59773 TIMING: 262200 CPU: 817.455, 0.00310404/step Wall: 817.455, 0.00310404/step, 4.08509 hours remaining, 235.070312 MB of memory in use. ENERGY: 262200 4054.7371 20755.3676 14490.6350 279.9607 -203239.3206 2973.8676 0.0000 0.0000 52075.7405 -108609.0120 299.2800 -160684.7526 -108263.8019 299.8120 -84.9248 -52.6666 765762.7758 7.9753 8.0346 PRESSURE: 262400 -47.2172 -80.5186 149.385 -80.5192 -310.788 29.2641 149.385 29.2652 -306.453 GPRESSURE: 262400 -25.2911 -151.09 92.5729 -66.4367 -233.803 7.98073 150.938 -93.458 -347.415 PRESSAVG: 262400 40.6913 -52.2893 -48.0603 -52.2893 -6.0223 -47.0371 -48.0603 -47.0372 9.71601 GPRESSAVG: 262400 39.7318 -51.3441 -49.2146 -53.125 -5.25338 -46.1571 -49.1351 -46.8265 10.1333 TIMING: 262400 CPU: 818.077, 0.00311053/step Wall: 818.077, 0.00311053/step, 4.09346 hours remaining, 235.070312 MB of memory in use. ENERGY: 262400 4018.8562 20504.8336 14504.7865 234.7133 -202856.8255 2677.9137 0.0000 0.0000 52161.9604 -108753.7618 299.7755 -160915.7222 -108371.3704 299.6545 -221.4860 -202.1697 765943.7485 14.7950 14.8706 PRESSURE: 262600 -170.059 -3.4894 140.763 -3.49109 -105.438 -308.508 140.763 -308.507 -317.669 GPRESSURE: 262600 -20.7023 -22.444 155.597 26.4483 -165.997 -291.554 153.419 -355.3 -307.076 PRESSAVG: 262600 -57.8709 17.5227 -1.74907 17.5226 46.9394 9.37754 -1.74906 9.37749 -3.74713 GPRESSAVG: 262600 -56.9013 17.8516 -2.1299 17.9002 45.6358 8.81864 0.410104 7.41598 -3.49247 TIMING: 262600 CPU: 818.704, 0.00313395/step Wall: 818.704, 0.00313395/step, 4.12411 hours remaining, 235.070312 MB of memory in use. ENERGY: 262600 3990.6987 20728.3876 14424.3588 249.4579 -202805.5630 2528.4979 0.0000 0.0000 52134.8293 -108749.3329 299.6196 -160884.1621 -108383.7824 299.8741 -197.7221 -164.5920 764596.3593 -4.8929 -4.9194 PRESSURE: 262800 -102.007 -157.792 83.194 -157.792 162.795 -43.3344 83.1936 -43.3331 129.339 GPRESSURE: 262800 -70.7308 -53.8852 52.9382 -40.6517 180.799 75.7026 89.3675 -107.42 178.273 PRESSAVG: 262800 -23.3011 -14.2074 11.6824 -14.2074 54.7351 -28.9573 11.6823 -28.9572 -18.5923 GPRESSAVG: 262800 -22.8144 -14.8267 12.165 -13.043 55.0275 -28.6094 11.3389 -27.9193 -19.5287 TIMING: 262800 CPU: 819.332, 0.00313983/step Wall: 819.332, 0.00313983/step, 4.13167 hours remaining, 235.070312 MB of memory in use. ENERGY: 262800 3980.4125 20522.9469 14449.5378 239.5978 -203443.6786 2840.6408 0.0000 0.0000 52513.6802 -108896.8626 301.7968 -161410.5428 -108525.5362 299.6587 63.3758 96.1139 762042.7062 4.2806 4.2281 PRESSURE: 263000 -75.8619 -166.615 65.7522 -166.615 276.628 -128.822 65.7527 -128.822 -106.266 GPRESSURE: 263000 -28.8239 -171.621 81.2469 -76.6169 289.426 -121.249 34.7801 -102.12 -83.0521 PRESSAVG: 263000 -81.5764 17.394 82.3661 17.394 113.554 0.831957 82.3661 0.83191 -23.7467 GPRESSAVG: 263000 -82.7096 19.0462 82.7663 16.0867 113.864 0.70071 82.6605 0.152568 -23.4943 TIMING: 263000 CPU: 819.955, 0.00311629/step Wall: 819.955, 0.00311629/step, 4.10052 hours remaining, 235.070312 MB of memory in use. ENERGY: 263000 3986.2242 20519.3308 14539.7022 258.5578 -203037.8230 2721.4478 0.0000 0.0000 51994.7075 -109017.8525 298.8143 -161012.5601 -108665.3705 299.2506 31.5001 59.1833 762739.5285 2.7438 2.5535 PRESSURE: 263200 -212.699 -123.479 -41.7446 -123.478 155.913 -28.0435 -41.7444 -28.0425 -234.938 GPRESSURE: 263200 -151.403 -84.2453 -92.4145 -143.639 219.879 -45.1433 -85.1624 -39.0259 -278.758 PRESSAVG: 263200 -64.6708 -13.304 29.4643 -13.3041 80.2162 -19.7427 29.4643 -19.7427 6.86271 GPRESSAVG: 263200 -64.4619 -14.0328 28.1055 -13.4361 80.1689 -18.3305 29.8642 -17.9983 7.17357 TIMING: 263200 CPU: 820.582, 0.00313406/step Wall: 820.582, 0.00313406/step, 4.12373 hours remaining, 235.070312 MB of memory in use. ENERGY: 263200 4015.9964 20624.6747 14459.0236 253.9624 -203412.6159 3195.9243 0.0000 0.0000 51868.1015 -108994.9329 298.0867 -160863.0344 -108638.4433 298.6562 -97.2414 -70.0943 764096.3945 7.4694 7.6269 PRESSURE: 263400 175.829 -37.3607 -153.139 -37.3606 -20.2153 -68.8175 -153.14 -68.8165 4.06888 GPRESSURE: 263400 171.318 -66.8159 -74.905 -37.3974 80.9852 -39.4231 -96.7852 -96.5062 12.071 PRESSAVG: 263400 14.1792 -59.6567 7.27478 -59.6567 -27.3999 -11.5369 7.27486 -11.5369 7.60084 GPRESSAVG: 263400 14.4266 -60.7446 9.79191 -57.8411 -27.2936 -13.863 6.66309 -12.3841 7.38764 TIMING: 263400 CPU: 821.208, 0.00312944/step Wall: 821.208, 0.00312944/step, 4.11747 hours remaining, 235.070312 MB of memory in use. ENERGY: 263400 4015.6028 20436.4597 14505.0397 237.1085 -203308.7266 2951.9083 0.0000 0.0000 52217.7073 -108944.9002 300.0959 -161162.6075 -108591.6665 299.0673 53.2274 88.1248 764636.0878 -1.8733 -1.8265 PRESSURE: 263600 184.124 127.567 113.911 127.567 6.69462 -133.416 113.911 -133.416 186.921 GPRESSURE: 263600 248.217 62.3557 96.9398 11.3577 18.5873 -91.8634 133.163 -141.945 214.652 PRESSAVG: 263600 50.5714 0.939129 46.9372 0.939185 -62.5319 -64.4952 46.9372 -64.4952 13.9517 GPRESSAVG: 263600 51.0809 1.67463 47.3361 -2.40867 -63.6038 -63.588 47.435 -64.5204 14.3567 TIMING: 263600 CPU: 821.831, 0.00311535/step Wall: 821.831, 0.00311535/step, 4.09876 hours remaining, 235.070312 MB of memory in use. ENERGY: 263600 3956.9435 20471.3760 14526.7051 256.1087 -203608.1099 3131.9347 0.0000 0.0000 52138.4840 -109126.5579 299.6406 -161265.0419 -108763.9432 298.8801 125.9130 160.4851 762892.0450 0.6637 0.6113 PRESSURE: 263800 -266.209 48.1376 -94.5059 48.1374 0.561094 135.707 -94.5054 135.708 278.225 GPRESSURE: 263800 -159.61 0.771891 -66.7283 103.413 9.8451 104.471 -131.2 92.0944 266.186 PRESSAVG: 263800 13.3534 -29.9696 -12.0635 -29.9695 10.6956 -64.2986 -12.0636 -64.2986 12.7783 GPRESSAVG: 263800 12.8614 -31.1151 -13.5649 -28.2328 10.7864 -63.2706 -13.6513 -63.3179 13.3594 TIMING: 263800 CPU: 822.454, 0.00311541/step Wall: 822.454, 0.00311541/step, 4.09867 hours remaining, 235.070312 MB of memory in use. ENERGY: 263800 3963.3583 20575.2107 14427.6035 232.1991 -203348.3012 2864.8194 0.0000 0.0000 52263.7470 -109021.3632 300.3605 -161285.1102 -108663.7516 299.4478 4.1925 38.8073 762317.4859 12.2758 12.3357 PRESSURE: 264000 38.0013 -86.0872 -42.4927 -86.0867 124.592 -25.6672 -42.4926 -25.668 479.161 GPRESSURE: 264000 102.781 -67.2086 33.3497 -77.7517 100.703 -111.198 -74.7712 43.0335 526.031 PRESSAVG: 264000 8.30525 -21.459 6.3602 -21.4591 19.1672 -16.4464 6.36016 -16.4464 0.84681 GPRESSAVG: 264000 8.4524 -20.6272 6.21917 -19.9777 20.2994 -17.1731 5.73697 -18.9324 -0.0883182 TIMING: 264000 CPU: 823.078, 0.00311875/step Wall: 823.078, 0.00311875/step, 4.10289 hours remaining, 235.070312 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: 264000 3978.5072 20431.8470 14452.8615 247.4503 -202869.6711 2798.0410 0.0000 0.0000 51896.1344 -109064.8298 298.2478 -160960.9642 -108706.6455 299.3270 213.9179 243.1718 762302.6538 9.4397 9.5545 PRESSURE: 264200 88.2328 -90.2055 59.2409 -90.2042 -50.2288 5.80401 59.2408 5.80363 -151.157 GPRESSURE: 264200 77.6224 -196.697 201.841 -125.306 68.0019 24.5871 -31.8028 3.55359 -179.594 PRESSAVG: 264200 -47.29 -46.3716 9.39067 -46.3716 44.415 -41.2994 9.3907 -41.2994 -2.16077 GPRESSAVG: 264200 -47.0884 -46.3176 10.5758 -46.4816 44.5232 -41.6556 10.4087 -38.7446 -1.71259 TIMING: 264200 CPU: 823.703, 0.00312635/step Wall: 823.703, 0.00312635/step, 4.11272 hours remaining, 235.070312 MB of memory in use. ENERGY: 264200 4079.8080 20459.0688 14458.6471 264.0167 -203088.3954 2827.6378 0.0000 0.0000 51814.0035 -109185.2134 297.7758 -160999.2169 -108824.7880 299.1187 -37.7178 -11.3231 762439.7030 -1.6786 -1.4259 LDB: ============= START OF LOAD BALANCING ============== 836.18 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 836.18 LDB: =============== DONE WITH MIGRATION ================ 836.182 LDB: ============= START OF LOAD BALANCING ============== 836.493 LDB: Largest compute 7052 load 0.030417 is 15.6% of average load 0.194771 LDB: Average compute 0.004368 is 2.2% of average load 0.194771 LDB: TIME 836.497 LOAD: AVG 0.194771 MAX 0.215306 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.195 MB LDB: TIME 836.497 LOAD: AVG 0.194771 MAX 0.215306 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.195 MB LDB: TIME 836.497 LOAD: AVG 0.194771 MAX 0.215306 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.195 MB LDB: ============== END OF LOAD BALANCING =============== 836.499 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 836.504 PRESSURE: 264400 -200.104 -107.825 28.0623 -107.825 85.5209 94.6148 28.0625 94.6148 -78.5727 GPRESSURE: 264400 -188.567 -181.956 48.2384 -85.6335 147.116 37.6912 -150.084 65.4829 -79.6895 PRESSAVG: 264400 0.0309254 -19.8214 -35.6176 -19.8213 0.232098 -0.76514 -35.6176 -0.765144 -2.56215 GPRESSAVG: 264400 1.51556 -19.9766 -37.1108 -20.4852 -1.10947 -0.471556 -34.1432 -2.85083 -3.20907 TIMING: 264400 CPU: 824.338, 0.00317655/step Wall: 824.338, 0.00317655/step, 4.17858 hours remaining, 233.382812 MB of memory in use. ENERGY: 264400 4012.6099 20585.4645 14446.8789 271.7413 -203105.5469 2646.3979 0.0000 0.0000 51965.1115 -109177.3430 298.6442 -161142.4544 -108821.5807 298.8802 -64.3852 -40.3801 763838.6078 -0.7664 -0.9343 PRESSURE: 264600 149.697 -128.34 -210.02 -128.34 -198.591 127.183 -210.021 127.183 -51.022 GPRESSURE: 264600 149.884 -73.5711 -88.4451 -196.353 -134.935 81.3464 -169.85 67.2351 -31.1161 PRESSAVG: 264600 35.3095 -44.9823 -28.4623 -44.9823 -28.155 -35.8441 -28.4623 -35.8441 -6.53261 GPRESSAVG: 264600 32.449 -44.4022 -28.7621 -43.922 -26.8024 -36.3523 -30.4372 -36.6333 -5.36146 TIMING: 264600 CPU: 824.961, 0.00311595/step Wall: 824.961, 0.00311595/step, 4.09869 hours remaining, 233.382812 MB of memory in use. ENERGY: 264600 3990.3090 20473.0850 14536.9190 249.4926 -203182.1962 2645.7396 0.0000 0.0000 52202.0829 -109084.5682 300.0061 -161286.6510 -108722.8380 299.4364 -33.3054 -5.3890 762121.9863 0.2073 0.0950 PRESSURE: 264800 21.2064 62.1308 175.714 62.1311 -127.791 -184.675 175.714 -184.676 141.267 GPRESSURE: 264800 72.6406 47.5431 142.322 66.519 -61.7707 -202.8 158.066 -267.649 123.451 PRESSAVG: 264800 -2.64944 -45.5698 28.0154 -45.5698 -27.2424 -49.5388 28.0155 -49.5388 19.8583 GPRESSAVG: 264800 -0.343421 -45.5865 29.2374 -45.4384 -28.5668 -48.7637 27.3853 -49.7638 19.1224 TIMING: 264800 CPU: 825.583, 0.00310993/step Wall: 825.583, 0.00310993/step, 4.09059 hours remaining, 233.382812 MB of memory in use. ENERGY: 264800 4005.8074 20418.8050 14402.5516 234.0894 -202955.9160 2548.5813 0.0000 0.0000 52142.9204 -109203.1610 299.6661 -161346.0813 -108834.9480 298.9918 11.5607 44.7735 764449.4534 -3.3445 -3.2626 PRESSURE: 265000 -128.85 84.81 175.675 84.8102 -179.438 -294.232 175.675 -294.232 -427.229 GPRESSURE: 265000 -220.881 21.0315 185.172 -50.1773 -71.9983 -311.279 116.707 -150.431 -352.661 PRESSAVG: 265000 7.06847 -21.9334 24.3416 -21.9334 -50.6554 -45.6338 24.3416 -45.6338 -7.11765 GPRESSAVG: 265000 6.21551 -22.5962 24.6516 -23.2553 -50.4698 -45.3671 25.3433 -45.3405 -6.80107 TIMING: 265000 CPU: 826.203, 0.00310043/step Wall: 826.203, 0.00310043/step, 4.07792 hours remaining, 233.382812 MB of memory in use. ENERGY: 265000 3931.3067 20528.6045 14484.9206 226.7819 -203175.6064 2794.3270 0.0000 0.0000 51945.7028 -109263.9628 298.5327 -161209.6656 -108909.9243 298.8994 -245.1724 -215.1801 764484.8676 -16.9015 -17.0185 PRESSURE: 265200 -176.705 -73.9287 -74.2419 -73.9301 29.1465 -11.6978 -74.2416 -11.6979 -85.3939 GPRESSURE: 265200 -66.2888 -54.6882 -89.2432 40.9305 13.921 36.0872 -44.329 -123.166 -86.6251 PRESSAVG: 265200 -27.9815 -13.5986 -6.67177 -13.5986 34.4582 -26.7528 -6.67179 -26.7527 10.8333 GPRESSAVG: 265200 -27.7476 -11.5329 -7.99383 -11.6892 34.0685 -27.1142 -5.8083 -27.323 10.8636 TIMING: 265200 CPU: 826.825, 0.00310919/step Wall: 826.825, 0.00310919/step, 4.08928 hours remaining, 233.382812 MB of memory in use. ENERGY: 265200 3937.6013 20519.1629 14496.3080 242.8143 -203159.0982 2787.9104 0.0000 0.0000 52071.6865 -109103.6148 299.2567 -161175.3013 -108738.9860 299.0103 -77.6507 -46.3310 763556.0271 5.7700 5.7282 PRESSURE: 265400 -720.53 64.9102 45.9035 64.9101 -183.433 -113.181 45.9036 -113.181 -293.737 GPRESSURE: 265400 -657.265 -65.1747 7.97603 -101.444 -160.967 10.7438 23.6833 -257.622 -287.123 PRESSAVG: 265400 -48.6375 -2.51442 -88.058 -2.51441 61.5997 -39.351 -88.058 -39.3511 8.28905 GPRESSAVG: 265400 -47.857 -5.93943 -88.7658 -2.88244 61.9776 -38.3283 -87.4975 -38.7886 7.7117 TIMING: 265400 CPU: 827.448, 0.00311493/step Wall: 827.448, 0.00311493/step, 4.09665 hours remaining, 233.382812 MB of memory in use. ENERGY: 265400 3919.8160 20505.2522 14442.2243 253.5129 -203041.4401 2780.2463 0.0000 0.0000 51934.8318 -109205.5565 298.4702 -161140.3883 -108839.2432 298.7420 -399.2335 -368.4519 764667.8799 7.0838 7.2774 PRESSURE: 265600 88.7699 -142.143 -293.044 -142.143 -185.519 37.7191 -293.043 37.7179 -72.9768 GPRESSURE: 265600 54.5518 -126.819 -194.207 -69.2063 -125.964 -63.9673 -193.688 -4.67066 -33.1086 PRESSAVG: 265600 -52.889 -39.0926 -21.2484 -39.0926 76.6766 -70.604 -21.2484 -70.604 17.78 GPRESSAVG: 265600 -53.7949 -37.2457 -20.132 -40.752 77.6379 -71.8498 -21.0647 -70.2672 17.1168 TIMING: 265600 CPU: 828.076, 0.00313769/step Wall: 828.076, 0.00313769/step, 4.12641 hours remaining, 233.382812 MB of memory in use. ENERGY: 265600 3935.2738 20625.2761 14493.3403 242.7409 -203156.5264 2764.8696 0.0000 0.0000 51960.4153 -109134.6103 298.6172 -161095.0256 -108772.9359 298.4434 -56.5752 -34.8404 764220.0007 13.8559 13.6533 PRESSURE: 265800 -387.741 -34.3553 -213.484 -34.3555 -176.835 -18.6234 -213.485 -18.6239 -107.161 GPRESSURE: 265800 -289.371 26.3079 -197.937 -149.4 -109.551 -69.3443 -91.9589 109.01 -204.557 PRESSAVG: 265800 3.44163 -64.1299 6.78713 -64.13 16.4398 -53.0972 6.78713 -53.0972 -17.3533 GPRESSAVG: 265800 3.12277 -64.1897 5.8714 -62.4838 16.4242 -52.2024 6.37766 -53.1833 -16.0842 TIMING: 265800 CPU: 828.7, 0.00312217/step Wall: 828.7, 0.00312216/step, 4.10582 hours remaining, 233.382812 MB of memory in use. ENERGY: 265800 3961.1440 20618.5092 14433.5153 225.4583 -203288.1741 2986.7229 0.0000 0.0000 52098.8961 -108963.9283 299.4131 -161062.8244 -108609.7335 298.7496 -223.9121 -201.1597 766122.0082 0.8427 1.1543 PRESSURE: 266000 -28.8051 -68.6007 66.9518 -68.6004 -284.678 138.541 66.9508 138.541 -399.051 GPRESSURE: 266000 48.1601 -36.9862 107.93 -9.40401 -303.456 105.359 45.8515 140.331 -384.347 PRESSAVG: 266000 6.74812 -82.1558 9.31447 -82.1558 -12.2176 -9.33525 9.31444 -9.33529 4.82749 GPRESSAVG: 266000 6.67486 -82.0749 9.77297 -81.2454 -11.8327 -9.6142 8.10061 -7.48574 3.91536 TIMING: 266000 CPU: 829.324, 0.00311955/step Wall: 829.324, 0.00311955/step, 4.10221 hours remaining, 233.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 266000 4002.7792 20560.8029 14439.7192 239.5478 -202963.4052 2689.7827 0.0000 0.0000 51835.5039 -109195.2695 297.8994 -161030.7734 -108838.8519 298.8820 -237.5111 -213.2143 764228.6238 -0.2140 -0.4142 PRESSURE: 266200 -274.837 -246.976 -269.131 -246.977 -228.491 192.385 -269.131 192.386 -17.4393 GPRESSURE: 266200 -207.696 -258.894 -160.174 -252.889 -189.204 185.643 -272.211 163.884 -30.1398 PRESSAVG: 266200 15.3961 -13.914 -34.9957 -13.9141 -21.5698 -17.1956 -34.9958 -17.1957 -20.238 GPRESSAVG: 266200 14.7443 -15.4513 -32.8302 -15.4149 -22.5286 -18.3361 -35.5149 -19.1037 -19.0262 TIMING: 266200 CPU: 829.951, 0.00313355/step Wall: 829.951, 0.00313355/step, 4.12044 hours remaining, 233.382812 MB of memory in use. ENERGY: 266200 3987.1776 20461.1547 14422.4850 222.2731 -203068.1795 2651.2987 0.0000 0.0000 52317.0392 -109006.7511 300.6667 -161323.7903 -108640.7398 298.5362 -173.5892 -142.3466 764548.4322 -8.8039 -8.9368 PRESSURE: 266400 -612.173 184.566 245.448 184.566 -102.88 22.1999 245.448 22.2004 -303.924 GPRESSURE: 266400 -672.096 163.539 322.119 217.152 -10.2889 54.1891 209.559 69.4044 -250.06 PRESSAVG: 266400 -33.2102 -9.20545 -10.4529 -9.20539 -29.959 12.5675 -10.4529 12.5674 -11.3556 GPRESSAVG: 266400 -32.6655 -6.46393 -12.1331 -8.46316 -29.8205 14.3326 -9.94742 12.9577 -11.5235 TIMING: 266400 CPU: 830.574, 0.00311394/step Wall: 830.574, 0.00311394/step, 4.09448 hours remaining, 233.382812 MB of memory in use. ENERGY: 266400 3975.7682 20557.2201 14539.5178 235.4478 -202735.2064 2684.0098 0.0000 0.0000 51910.3112 -108832.9317 298.3293 -160743.2429 -108477.9097 298.8142 -339.6589 -310.8151 766384.2965 -24.8416 -24.6699 PRESSURE: 266600 -520.757 -142.138 -263.319 -142.138 -300.743 114.716 -263.319 114.717 234.504 GPRESSURE: 266600 -480.242 -185.028 -282.119 -141.191 -297.857 186.5 -292.048 12.7557 242.466 PRESSAVG: 266600 -20.0763 -45.6131 -22.634 -45.6131 13.0254 -0.32452 -22.634 -0.324525 8.45804 GPRESSAVG: 266600 -19.8515 -45.9782 -24.8305 -46.5046 13.2923 -0.506817 -21.5011 1.26624 7.78589 TIMING: 266600 CPU: 831.198, 0.00311997/step Wall: 831.198, 0.00311997/step, 4.10224 hours remaining, 233.382812 MB of memory in use. ENERGY: 266600 4079.7394 20664.5421 14433.2854 236.8423 -202622.6318 2515.1229 0.0000 0.0000 51887.5278 -108805.5719 298.1983 -160693.0997 -108436.7517 298.7933 -195.6652 -178.5442 766740.4522 0.4691 0.4089 PRESSURE: 266800 -156.327 2.40973 -73.8776 2.40985 -369.476 125.632 -73.8762 125.632 -31.7965 GPRESSURE: 266800 -198.109 -27.8754 -47.3386 -66.0352 -275.34 40.9512 5.47404 41.0202 -25.0344 PRESSAVG: 266800 16.5319 -40.3915 -27.3742 -40.3915 -20.9154 13.1257 -27.3743 13.1258 6.73263 GPRESSAVG: 266800 18.3352 -39.6775 -24.397 -40.3918 -22.5032 10.8817 -28.6278 12.5164 6.8943 TIMING: 266800 CPU: 831.824, 0.00313304/step Wall: 831.824, 0.00313304/step, 4.11925 hours remaining, 233.382812 MB of memory in use. ENERGY: 266800 3956.9178 20640.2494 14448.7849 242.5195 -202843.5384 2706.7751 0.0000 0.0000 51946.0256 -108902.2661 298.5345 -160848.2917 -108533.6540 298.9794 -185.8666 -166.1614 764787.7261 0.7830 0.9088 PRESSURE: 267000 30.8853 64.1391 91.0418 64.1389 -75.905 -89.1037 91.0415 -89.1034 -69.4881 GPRESSURE: 267000 42.0915 -88.4472 -20.3045 138.502 -94.2669 -114.531 68.8613 -18.6319 32.579 PRESSAVG: 267000 -30.8763 -63.7855 44.5 -63.7854 50.1674 -41.7363 44.5 -41.7363 2.44003 GPRESSAVG: 267000 -32.3415 -64.0072 42.7674 -63.7287 51.2143 -40.0349 44.3958 -40.8122 2.92332 TIMING: 267000 CPU: 832.453, 0.00314375/step Wall: 832.453, 0.00314375/step, 4.13316 hours remaining, 233.382812 MB of memory in use. ENERGY: 267000 3917.9467 20529.2038 14509.9532 246.3471 -203064.6472 2821.9645 0.0000 0.0000 52164.9249 -108874.3070 299.7925 -161039.2319 -108517.8186 299.4569 -38.1693 -6.5321 763828.5943 7.2437 7.2654 PRESSURE: 267200 -12.9013 -181.151 45.1351 -181.151 174.314 29.239 45.1356 29.2392 139.213 GPRESSURE: 267200 -47.4634 -77.0099 -53.6013 -196.036 247.829 -23.8568 101.637 -85.9414 185.676 PRESSAVG: 267200 -59.3535 -16.0934 34.1955 -16.0934 58.349 -81.2448 34.1955 -81.2449 6.7011 GPRESSAVG: 267200 -58.5965 -17.0022 33.9652 -14.4042 58.2954 -81.951 33.7099 -83.4779 5.77158 TIMING: 267200 CPU: 833.081, 0.00313859/step Wall: 833.081, 0.00313859/step, 4.1262 hours remaining, 233.382812 MB of memory in use. ENERGY: 267200 3943.0269 20342.7273 14476.4447 236.3988 -203233.9385 3064.0501 0.0000 0.0000 52245.4451 -108925.8455 300.2553 -161171.2906 -108571.4532 299.3209 100.2088 128.6804 765953.4404 1.8989 1.8235 PRESSURE: 267400 287.299 144.06 155.079 144.061 -156.689 -108.012 155.079 -108.012 441.642 GPRESSURE: 267400 292.258 174.334 106.232 53.6675 -120.573 -132.133 43.7125 -106.914 479.954 PRESSAVG: 267400 -26.3601 -3.47733 63.9062 -3.47733 33.4255 -21.6555 63.9061 -21.6554 -10.6269 GPRESSAVG: 267400 -27.588 -2.11045 65.2495 -5.9325 33.9664 -21.2974 64.6441 -21.6097 -10.288 TIMING: 267400 CPU: 833.7, 0.00309441/step Wall: 833.7, 0.00309441/step, 4.06795 hours remaining, 233.382812 MB of memory in use. ENERGY: 267400 4032.4702 20557.0703 14462.7212 269.5816 -203242.4285 3116.1727 0.0000 0.0000 51974.1169 -108830.2954 298.6960 -160804.4123 -108479.2285 298.8724 190.7505 217.2129 763517.2070 -1.1872 -1.3032 PRESSURE: 267600 -167.972 -112.863 -126.064 -112.863 -125.047 -127.753 -126.065 -127.753 -106.332 GPRESSURE: 267600 -191.309 -166.235 -230.482 -82.8949 -72.9558 -78.9474 -2.09592 -45.5219 -66.5499 PRESSAVG: 267600 20.1366 -17.0185 28.4788 -17.0186 -3.1261 -19.2021 28.4788 -19.2021 23.8822 GPRESSAVG: 267600 20.4988 -17.4727 27.551 -13.865 -3.86389 -19.7391 28.2635 -19.5169 23.7498 TIMING: 267600 CPU: 834.322, 0.00311036/step Wall: 834.322, 0.00311036/step, 4.08874 hours remaining, 233.382812 MB of memory in use. ENERGY: 267600 4003.8307 20633.3802 14473.0612 239.6166 -203397.5446 2976.8970 0.0000 0.0000 52178.8818 -108891.8772 299.8728 -161070.7590 -108532.0021 299.4638 -133.1170 -110.2716 762749.1655 13.6309 13.4616 PRESSURE: 267800 -158.726 32.4574 78.8599 32.4571 -205.694 172.681 78.8594 172.681 -121.228 GPRESSURE: 267800 -120.786 -34.0997 14.6727 -72.7744 -197.482 184.733 -45.4787 145.676 -84.8112 PRESSAVG: 267800 -27.1225 6.74322 21.1888 6.74317 28.5322 -28.4818 21.1889 -28.4818 12.0372 GPRESSAVG: 267800 -26.9326 4.30033 21.1476 4.3825 27.7702 -28.3404 22.4288 -29.3228 12.6609 TIMING: 267800 CPU: 834.944, 0.00311142/step Wall: 834.944, 0.00311142/step, 4.08996 hours remaining, 233.382812 MB of memory in use. ENERGY: 267800 4050.1676 20441.0255 14523.1933 243.4391 -203078.0769 2836.5331 0.0000 0.0000 52068.0439 -108915.6745 299.2358 -160983.7184 -108551.0116 299.1984 -161.8825 -134.3598 765551.9651 4.4823 4.4995 PRESSURE: 268000 214.584 19.0738 -55.0608 19.0744 -142.687 22.835 -55.0615 22.8359 236.278 GPRESSURE: 268000 215.018 96.8329 9.48691 -52.066 -184.919 -101.584 -73.9098 5.26564 352.792 PRESSAVG: 268000 53.8419 -105.76 -54.8815 -105.76 -25.0784 15.9588 -54.8815 15.9588 -18.9593 GPRESSAVG: 268000 53.067 -104.437 -53.9499 -105.828 -25.062 16.4485 -55.4105 16.158 -18.8831 TIMING: 268000 CPU: 835.57, 0.00313152/step Wall: 835.57, 0.00313152/step, 4.11621 hours remaining, 233.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 268000 4079.2710 20646.3086 14544.0651 255.4751 -203375.1935 2981.2060 0.0000 0.0000 52136.2008 -108732.6670 299.6275 -160868.8678 -108384.1541 299.8875 102.7250 127.6303 763137.1563 3.2681 3.0406 PRESSURE: 268200 28.2685 30.8973 -272.563 30.8974 54.6895 28.9071 -272.563 28.9087 56.4678 GPRESSURE: 268200 4.41462 18.8345 -218.28 -82.5883 90.8655 -42.8685 -290.191 -18.6258 129.97 PRESSAVG: 268200 51.2533 -60.9477 -39.3329 -60.9477 -31.4078 14.1361 -39.3328 14.136 19.5733 GPRESSAVG: 268200 51.6864 -62.0582 -41.8797 -58.8461 -31.0919 14.2839 -36.1071 13.9042 18.7572 TIMING: 268200 CPU: 836.195, 0.00312402/step Wall: 836.195, 0.00312402/step, 4.10618 hours remaining, 233.382812 MB of memory in use. ENERGY: 268200 3921.5048 20610.3087 14518.5200 255.0775 -203495.7105 3263.1023 0.0000 0.0000 52220.6752 -108706.5219 300.1129 -160927.1971 -108344.3945 299.8973 46.4753 75.0833 764504.6080 13.1396 13.1173 LDB: ============= START OF LOAD BALANCING ============== 848.673 LDB: ============== END OF LOAD BALANCING =============== 848.674 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 848.675 LDB: ============= START OF LOAD BALANCING ============== 848.988 LDB: Largest compute 7052 load 0.030178 is 15.5% of average load 0.194748 LDB: Average compute 0.004364 is 2.2% of average load 0.194748 LDB: TIME 848.991 LOAD: AVG 0.194748 MAX 0.213956 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.156 MB LDB: TIME 848.992 LOAD: AVG 0.194748 MAX 0.213956 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.156 MB LDB: TIME 848.992 LOAD: AVG 0.194748 MAX 0.213956 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.156 MB LDB: ============== END OF LOAD BALANCING =============== 848.994 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 848.998 PRESSURE: 268400 -24.4728 -156.185 76.4733 -156.184 -136.983 -20.6771 76.4737 -20.6772 170.811 GPRESSURE: 268400 -55.867 -94.4947 98.8653 -203.478 -66.5681 12.4138 35.7266 14.3261 222.337 PRESSAVG: 268400 -10.9863 -55.7664 -50.2023 -55.7664 0.361916 46.2648 -50.2024 46.2649 -11.071 GPRESSAVG: 268400 -11.2705 -53.7787 -46.0464 -56.7165 1.13011 45.8635 -56.2132 48.1329 -11.6764 TIMING: 268400 CPU: 836.833, 0.00318862/step Wall: 836.833, 0.00318862/step, 4.19091 hours remaining, 235.320312 MB of memory in use. ENERGY: 268400 4020.2946 20721.4775 14481.9358 243.3147 -202595.5248 2523.4283 0.0000 0.0000 51848.1817 -108756.8923 297.9722 -160605.0740 -108390.5654 299.3766 3.1182 33.3007 764904.7021 -7.2318 -7.2723 PRESSURE: 268600 -294.876 -42.7907 74.6118 -42.7893 29.0281 -100.948 74.6107 -100.948 -85.0007 GPRESSURE: 268600 -157.857 -46.492 33.0521 -123.035 -90.5419 -69.2155 109.891 -106.056 -20.9423 PRESSAVG: 268600 10.8401 -20.1918 46.582 -20.1917 4.2129 -16.857 46.582 -16.857 -1.83173 GPRESSAVG: 268600 10.8318 -20.9446 44.631 -19.1512 4.36564 -16.9778 49.3264 -18.3185 -1.62007 TIMING: 268600 CPU: 837.453, 0.00309973/step Wall: 837.453, 0.00309973/step, 4.0739 hours remaining, 235.386719 MB of memory in use. ENERGY: 268600 4031.3655 20522.4483 14566.0077 265.3101 -203265.5643 2908.2669 0.0000 0.0000 52123.7672 -108848.3984 299.5560 -160972.1656 -108476.8853 299.0233 -116.9496 -89.7805 765325.4995 4.4071 4.5258 PRESSURE: 268800 191.497 13.4542 -19.6545 13.4548 -88.0717 233.693 -19.6547 233.693 146.517 GPRESSURE: 268800 265.241 -68.0611 18.3124 8.38667 -33.3146 195.911 82.2497 163.815 104.98 PRESSAVG: 268800 0.579637 17.4781 -7.98748 17.4781 -51.5648 22.0786 -7.98755 22.0787 -14.1911 GPRESSAVG: 268800 1.31577 16.5014 -6.34341 16.0179 -52.887 20.7893 -8.09092 23.0982 -13.0576 TIMING: 268800 CPU: 838.072, 0.00309768/step Wall: 838.072, 0.00309768/step, 4.07103 hours remaining, 235.386719 MB of memory in use. ENERGY: 268800 3966.7417 20401.7282 14517.0489 251.7792 -203544.9864 3215.3362 0.0000 0.0000 52452.3408 -108740.0113 301.4443 -161192.3522 -108376.8218 299.4273 83.3140 112.3020 763788.3104 -21.7254 -21.5430 PRESSURE: 269000 -9.2572 -249.374 1.62577 -249.373 439.517 -42.3501 1.62528 -42.3507 117.48 GPRESSURE: 269000 78.8576 -228.697 63.8156 -84.356 447.241 -26.6675 -157.611 -99.5359 104.492 PRESSAVG: 269000 15.5672 -19.4534 -19.7982 -19.4535 5.33566 35.4327 -19.7982 35.4326 1.61992 GPRESSAVG: 269000 15.751 -17.0802 -21.0085 -19.4006 6.10121 35.5809 -19.4119 34.8403 0.190874 TIMING: 269000 CPU: 838.691, 0.00309586/step Wall: 838.691, 0.00309586/step, 4.06847 hours remaining, 235.386719 MB of memory in use. ENERGY: 269000 3903.3269 20576.0120 14536.6562 241.2092 -203300.2612 3135.0505 0.0000 0.0000 52023.1347 -108884.8717 298.9777 -160908.0064 -108524.9479 299.3048 182.5798 210.1968 763826.6610 7.5076 7.3477 PRESSURE: 269200 -205.844 126.642 -79.8602 126.643 -382.786 49.6868 -79.8606 49.6871 -159.061 GPRESSURE: 269200 -250.837 121.857 -182.228 78.7575 -339.803 109.927 -7.71972 45.1602 -96.5237 PRESSAVG: 269200 9.92391 -35.3979 4.10621 -35.3979 2.82912 43.2131 4.10617 43.213 -13.4458 GPRESSAVG: 269200 8.40239 -35.9945 1.66834 -35.1948 3.01604 42.5814 3.07915 41.13 -12.1202 TIMING: 269200 CPU: 839.313, 0.0031086/step Wall: 839.313, 0.0031086/step, 4.08505 hours remaining, 235.386719 MB of memory in use. ENERGY: 269200 4031.4045 20584.6256 14508.9549 245.0270 -202643.3257 2566.7570 0.0000 0.0000 51979.1967 -108727.3600 298.7252 -160706.5567 -108383.0977 299.2759 -249.2303 -229.0548 765546.0046 -0.2309 -0.2339 PRESSURE: 269400 -152.166 107.053 60.2797 107.053 -3.33025 -37.1424 60.2792 -37.1424 -102.916 GPRESSURE: 269400 -62.1139 176.097 57.9185 119.023 29.5114 8.19127 89.329 -37.6578 -136.053 PRESSAVG: 269400 -32.0253 -1.79928 -19.6393 -1.79932 53.5991 30.797 -19.6393 30.797 10.6782 GPRESSAVG: 269400 -31.4636 -2.76428 -20.3817 -1.53379 53.0609 32.1334 -16.4487 32.094 10.2559 TIMING: 269400 CPU: 839.937, 0.00312167/step Wall: 839.937, 0.00312167/step, 4.10204 hours remaining, 235.386719 MB of memory in use. ENERGY: 269400 3960.9002 20546.7239 14487.5033 230.1438 -202853.7907 2777.6219 0.0000 0.0000 51813.9758 -109036.9218 297.7756 -160850.8975 -108676.6025 299.1393 -86.1374 -56.2186 764870.8529 10.7507 10.6177 PRESSURE: 269600 -334.632 -74.4915 -222.651 -74.4917 -340.957 34.9859 -222.651 34.9855 -33.4735 GPRESSURE: 269600 -391.038 6.36072 -181.632 25.814 -260.516 69.5499 -252.904 -44.3099 16.3982 PRESSAVG: 269600 -6.72478 -69.2771 -37.4719 -69.277 -24.415 40.0022 -37.4719 40.0022 4.57017 GPRESSAVG: 269600 -6.7237 -67.8244 -35.8174 -68.8165 -24.1117 41.2811 -38.928 40.1963 4.63404 TIMING: 269600 CPU: 840.557, 0.00309747/step Wall: 840.557, 0.00309747/step, 4.07008 hours remaining, 235.386719 MB of memory in use. ENERGY: 269600 3919.3728 20485.5835 14534.4554 272.5698 -202713.5897 2481.9070 0.0000 0.0000 52058.1445 -108961.5567 299.1789 -161019.7012 -108598.3166 298.5136 -236.3541 -211.7186 764566.9309 -8.8565 -8.7338 PRESSURE: 269800 83.7566 19.5078 -129.956 19.5078 30.2673 -51.6709 -129.956 -51.6709 469.015 GPRESSURE: 269800 105.012 85.6914 -109.403 78.4238 78.9069 -2.13909 -74.862 49.2132 459.151 PRESSAVG: 269800 -49.0571 -23.2162 -38.1714 -23.2162 26.229 17.6467 -38.1714 17.6466 12.3778 GPRESSAVG: 269800 -49.3396 -24.9721 -37.0218 -22.4613 26.4635 17.1361 -40.5716 16.8854 12.2056 TIMING: 269800 CPU: 841.183, 0.00313071/step Wall: 841.183, 0.00313071/step, 4.11358 hours remaining, 235.386719 MB of memory in use. ENERGY: 269800 3957.8572 20599.3285 14458.4368 276.6184 -203514.2425 3137.1696 0.0000 0.0000 52078.8238 -109006.0082 299.2977 -161084.8320 -108642.0125 298.9830 194.3464 214.3568 764337.4902 -3.4835 -3.5569 PRESSURE: 270000 -179.749 -19.8678 153.013 -19.8685 164.636 -73.2068 153.012 -73.2074 238.82 GPRESSURE: 270000 -76.291 -110.679 138.182 -6.90986 213.494 1.15735 70.9286 37.2697 173.721 PRESSAVG: 270000 1.08191 -94.8525 -27.1912 -94.8525 20.2629 61.6058 -27.1912 61.6057 -7.61125 GPRESSAVG: 270000 2.58113 -93.4444 -29.1294 -96.8591 18.1979 62.771 -28.5509 63.7971 -7.45742 TIMING: 270000 CPU: 841.812, 0.00314442/step Wall: 841.812, 0.00314442/step, 4.13142 hours remaining, 235.386719 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: 270000 3992.3498 20369.7892 14518.5265 241.7331 -203042.3959 2853.2048 0.0000 0.0000 52056.9569 -109009.8357 299.1720 -161066.7926 -108646.7007 299.1777 74.5692 103.6413 762501.0800 4.5779 4.4405 PRESSURE: 270200 173.365 68.4786 -1.4287 68.4791 153.151 137.031 -1.42878 137.031 196.069 GPRESSURE: 270200 300.98 3.88104 25.6743 19.1423 60.4041 186.246 -63.0076 72.5261 255.503 PRESSAVG: 270200 1.13732 -20.2889 -16.2482 -20.2888 -0.304496 4.00189 -16.2482 4.0019 -1.64978 GPRESSAVG: 270200 -0.309399 -18.5262 -14.2081 -22.1556 1.81862 2.46449 -12.9265 2.4393 -1.82576 TIMING: 270200 CPU: 842.439, 0.00313739/step Wall: 842.439, 0.00313739/step, 4.12201 hours remaining, 235.386719 MB of memory in use. ENERGY: 270200 3938.2311 20568.2121 14465.6450 244.7165 -202916.5593 2784.2844 0.0000 0.0000 51868.4891 -109046.9812 298.0889 -160915.4703 -108690.6182 298.5525 174.1951 205.6291 762529.2894 -0.2723 -0.1055 PRESSURE: 270400 -341.97 -79.9039 47.5437 -79.905 -262.701 233.335 47.5436 233.335 -436.643 GPRESSURE: 270400 -238.474 -133.067 50.9899 -153.494 -301.752 236.953 38.3531 228.03 -409.099 PRESSAVG: 270400 -41.7118 14.9408 -11.2648 14.9408 3.66211 17.7228 -11.2649 17.7228 -0.846932 GPRESSAVG: 270400 -42.209 12.6406 -10.8656 16.0068 2.02674 18.636 -12.3982 18.1599 0.292094 TIMING: 270400 CPU: 843.062, 0.00311472/step Wall: 843.062, 0.00311472/step, 4.09206 hours remaining, 235.386719 MB of memory in use. ENERGY: 270400 4048.2921 20501.3490 14561.8194 250.9015 -202972.3041 2649.9029 0.0000 0.0000 52054.5360 -108905.5033 299.1581 -160960.0392 -108550.2239 298.5388 -347.1046 -316.4417 764309.8274 -12.9656 -13.2967 PRESSURE: 270600 1.9753 -209.757 115.395 -209.758 -115.521 -94.6106 115.396 -94.6116 313.73 GPRESSURE: 270600 -4.34242 -213.815 98.737 -127.512 -27.3731 -34.9092 169.871 -26.1767 309.951 PRESSAVG: 270600 -64.0716 -68.9606 29.2092 -68.9606 58.9447 -59.2375 29.2092 -59.2375 -12.8938 GPRESSAVG: 270600 -63.5264 -67.4702 25.8502 -65.5758 59.4421 -60.6268 29.7504 -60.1464 -13.645 TIMING: 270600 CPU: 843.688, 0.00312858/step Wall: 843.688, 0.00312858/step, 4.11008 hours remaining, 235.386719 MB of memory in use. ENERGY: 270600 3952.7763 20329.5452 14504.0322 246.7801 -202967.9947 2800.0445 0.0000 0.0000 52071.2248 -109063.5916 299.2540 -161134.8164 -108688.8692 299.1946 66.7283 92.7451 764520.7989 -6.0069 -5.9098 PRESSURE: 270800 -111.996 -124.96 145.615 -124.96 37.9991 -100.21 145.617 -100.21 -197.693 GPRESSURE: 270800 -148.535 -29.4845 106.247 -123.464 147.482 -10.9325 129.219 -108.616 -196.794 PRESSAVG: 270800 -7.1854 -102.898 8.44429 -102.898 16.3524 19.1827 8.44429 19.1827 13.7405 GPRESSAVG: 270800 -7.06936 -103.24 9.10841 -104.946 16.7857 18.7341 8.65254 18.9727 13.1891 TIMING: 270800 CPU: 844.314, 0.00312948/step Wall: 844.314, 0.00312948/step, 4.11109 hours remaining, 235.386719 MB of memory in use. ENERGY: 270800 3992.2571 20520.4562 14480.6523 245.8334 -202858.0733 2464.7332 0.0000 0.0000 52013.5774 -109140.5637 298.9227 -161154.1411 -108779.9248 298.4938 -90.5634 -65.9488 763849.4398 7.6358 7.6351 PRESSURE: 271000 -106.732 76.6771 12.6739 76.6767 -382.619 50.152 12.674 50.1526 -25.4342 GPRESSURE: 271000 -170.702 75.2401 86.9131 135.315 -259.599 133.534 31.1829 120.503 -7.02162 PRESSAVG: 271000 -6.67112 -52.6587 21.4877 -52.6588 -16.1004 4.74629 21.4877 4.74637 14.1397 GPRESSAVG: 271000 -7.08917 -53.8748 21.855 -51.2082 -15.4971 3.9144 23.8712 7.95574 13.5515 TIMING: 271000 CPU: 844.94, 0.00312954/step Wall: 844.94, 0.00312955/step, 4.11101 hours remaining, 235.386719 MB of memory in use. ENERGY: 271000 4031.6701 20364.9503 14464.5631 230.0019 -202939.4981 2786.1204 0.0000 0.0000 52029.8694 -109032.3230 299.0164 -161062.1924 -108663.0629 298.2555 -171.5950 -145.7740 766132.4927 -2.8772 -3.0116 PRESSURE: 271200 -276.819 -217.38 -233.237 -217.38 -284.182 154.912 -233.237 154.911 -573.387 GPRESSURE: 271200 -216.1 -217.623 -214.131 -157.711 -210.077 77.569 -173.595 122.613 -624.899 PRESSAVG: 271200 9.50718 14.0693 29.2299 14.0693 -20.6693 56.4336 29.2298 56.4336 4.90162 GPRESSAVG: 271200 9.67139 13.7826 30.4925 12.5893 -19.5302 58.0599 27.401 53.4205 3.66349 TIMING: 271200 CPU: 845.564, 0.00312102/step Wall: 845.564, 0.00312102/step, 4.09964 hours remaining, 235.386719 MB of memory in use. ENERGY: 271200 3971.1424 20569.3229 14442.8591 264.5466 -202722.4949 2647.2478 0.0000 0.0000 51784.2374 -109043.1387 297.6047 -160827.3761 -108671.1800 298.8611 -378.1293 -350.3587 766389.9050 -2.0868 -2.0651 PRESSURE: 271400 -579.999 200.264 140.216 200.264 145.452 29.7555 140.216 29.7563 -188.314 GPRESSURE: 271400 -567.18 203.698 187.952 139.431 128.692 -13.05 90.7963 -126.474 -88.4666 PRESSAVG: 271400 -39.3802 -13.1146 37.732 -13.1144 52.1554 51.2198 37.7319 51.2198 28.9425 GPRESSAVG: 271400 -39.7553 -11.6847 35.5551 -11.6153 50.0088 50.7852 38.4927 50.5483 31.1501 TIMING: 271400 CPU: 846.191, 0.00313456/step Wall: 846.191, 0.00313456/step, 4.11725 hours remaining, 235.386719 MB of memory in use. ENERGY: 271400 4060.5354 20603.1845 14460.4513 246.4949 -203006.8389 2674.3194 0.0000 0.0000 51943.6309 -109018.2225 298.5208 -160961.8533 -108660.2607 298.6475 -207.6204 -175.6516 764984.0540 13.9059 13.8012 PRESSURE: 271600 102.126 139.191 -51.0658 139.192 159.87 117.475 -51.0651 117.475 -94.5326 GPRESSURE: 271600 2.56184 148.591 -65.5958 189.341 366.635 88.583 -94.2554 238.304 -122.693 PRESSAVG: 271600 -53.839 3.15288 -7.71085 3.15287 66.764 -16.8866 -7.71091 -16.8866 -10.8829 GPRESSAVG: 271600 -53.3727 3.00713 -6.65559 0.311715 67.7581 -15.723 -9.72545 -16.0353 -11.7845 TIMING: 271600 CPU: 846.817, 0.00313031/step Wall: 846.817, 0.00313031/step, 4.11149 hours remaining, 235.386719 MB of memory in use. ENERGY: 271600 3987.7840 20558.0365 14400.1252 251.5773 -203612.1419 3103.4850 0.0000 0.0000 52085.4981 -109225.6358 299.3361 -161311.1339 -108856.5146 298.8630 55.8211 82.1679 763410.2068 0.6807 0.8670 PRESSURE: 271800 -493.671 -226.5 -50.7 -226.5 -75.9202 -333.075 -50.6993 -333.074 -300.999 GPRESSURE: 271800 -415.767 -150.818 -15.4779 -123.55 -161.801 -357.418 130.769 -277.133 -204.536 PRESSAVG: 271800 -92.6446 -25.4353 14.7083 -25.4353 84.4372 7.18346 14.7082 7.18353 -2.75324 GPRESSAVG: 271800 -92.5658 -26.1182 15.5233 -23.7862 84.5788 4.34924 16.3272 9.72646 -2.79671 TIMING: 271800 CPU: 847.44, 0.00311233/step Wall: 847.44, 0.00311233/step, 4.0877 hours remaining, 235.386719 MB of memory in use. ENERGY: 271800 4041.7026 20443.2499 14527.8105 241.0910 -203426.8160 2997.0397 0.0000 0.0000 52041.6390 -109134.2833 299.0840 -161175.9223 -108777.6241 298.5241 -290.1966 -260.7009 763394.7333 -3.6536 -3.5946 PRESSURE: 272000 -14.0273 93.1982 102.281 93.198 378.027 58.7493 102.281 58.7504 -70.7573 GPRESSURE: 272000 -26.1761 156.13 50.2958 88.8191 425.544 14.8823 78.5341 -53.4494 -13.3529 PRESSAVG: 272000 -79.8837 -30.0416 39.3582 -30.0416 81.9088 -2.02841 39.3582 -2.02839 12.772 GPRESSAVG: 272000 -78.6796 -31.4165 39.5941 -29.2134 80.0476 -1.49885 36.8714 -4.21483 13.5217 TIMING: 272000 CPU: 848.061, 0.00310857/step Wall: 848.061, 0.00310857/step, 4.08259 hours remaining, 235.386719 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: 272000 4070.1204 20656.9839 14484.0604 230.5210 -203221.3589 2876.3808 0.0000 0.0000 52057.3371 -108845.9554 299.1742 -160903.2924 -108482.4957 299.3292 97.7474 128.6715 763520.1766 4.9324 4.9632 PRESSURE: 272200 8.57071 -105.289 265.884 -105.289 227.995 -130.338 265.884 -130.339 -364.051 GPRESSURE: 272200 -22.6479 -111.612 221.934 -106.196 251.206 -130.091 177.527 -248.573 -257.48 PRESSAVG: 272200 -5.43148 -101.148 42.3237 -101.148 -8.43965 -31.0808 42.3237 -31.0808 -0.394142 GPRESSAVG: 272200 -6.83374 -99.475 40.4487 -101.768 -7.71871 -32.3556 43.5989 -28.5688 0.290484 TIMING: 272200 CPU: 848.687, 0.00312724/step Wall: 848.687, 0.00312724/step, 4.10693 hours remaining, 235.386719 MB of memory in use. ENERGY: 272200 3951.0169 20682.0124 14466.1380 239.6423 -203432.8451 2832.4645 0.0000 0.0000 52300.3702 -108961.2007 300.5709 -161261.5709 -108598.2898 299.5549 -42.4952 -9.6406 763551.0559 -4.7551 -4.7540 LDB: ============= START OF LOAD BALANCING ============== 861.166 LDB: ============== END OF LOAD BALANCING =============== 861.167 LDB: =============== DONE WITH MIGRATION ================ 861.168 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 861.483 LDB: Largest compute 7052 load 0.032217 is 16.5% of average load 0.194756 LDB: Average compute 0.004375 is 2.2% of average load 0.194756 LDB: TIME 861.486 LOAD: AVG 0.194756 MAX 0.215416 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.324 MB LDB: TIME 861.487 LOAD: AVG 0.194756 MAX 0.215416 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.324 MB LDB: TIME 861.487 LOAD: AVG 0.194756 MAX 0.215416 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.324 MB LDB: ============== END OF LOAD BALANCING =============== 861.489 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 861.494 PRESSURE: 272400 484.328 -104.737 -129.405 -104.737 188.502 118.339 -129.406 118.34 -416.477 GPRESSURE: 272400 463.501 -51.1175 -115.17 -154.195 229.469 87.7763 -37.9406 247.142 -352.376 PRESSAVG: 272400 32.1807 -73.5871 80.9523 -73.587 -21.3792 18.7197 80.9523 18.7197 23.2596 GPRESSAVG: 272400 32.1573 -74.7942 82.951 -73.7143 -20.1564 22.2623 81.4435 16.0922 22.0118 TIMING: 272400 CPU: 849.328, 0.00320462/step Wall: 849.328, 0.00320462/step, 4.20837 hours remaining, 234.039062 MB of memory in use. ENERGY: 272400 3998.8085 20490.9156 14465.9656 250.4600 -203527.8942 3134.2391 0.0000 0.0000 52397.8480 -108789.6575 301.1312 -161187.5054 -108420.2118 299.2722 85.4514 113.5314 763027.5795 11.3537 11.3376 PRESSURE: 272600 -87.0841 -211.284 -25.1411 -211.284 -133.093 -132.091 -25.1413 -132.091 -409.413 GPRESSURE: 272600 -25.232 -93.2939 -12.4577 -225.607 -132.379 -127.964 10.5072 -66.1477 -374.124 PRESSAVG: 272600 12.2234 -47.4821 55.9824 -47.482 -4.2097 -15.3272 55.9825 -15.3272 -22.4944 GPRESSAVG: 272600 12.1668 -46.6546 55.2754 -45.6841 -3.7195 -15.5897 55.8791 -13.5639 -22.5681 TIMING: 272600 CPU: 849.952, 0.00312144/step Wall: 849.952, 0.00312144/step, 4.09898 hours remaining, 234.039062 MB of memory in use. ENERGY: 272600 4091.5669 20392.8914 14497.7883 242.4213 -202611.3236 2348.2751 0.0000 0.0000 52043.5608 -108994.8199 299.0951 -161038.3807 -108625.1569 299.6563 -209.8632 -177.2450 765177.2741 -4.8269 -4.7069 PRESSURE: 272800 -97.8792 65.1174 -46.18 65.1171 -46.0556 -300.738 -46.1795 -300.738 -55.0986 GPRESSURE: 272800 -112.358 41.2908 -106.067 52.1801 -32.6692 -208.849 -248.857 -341.34 3.02684 PRESSAVG: 272800 87.1541 -62.3351 10.4311 -62.3351 -82.8363 -67.8317 10.4311 -67.8317 -10.762 GPRESSAVG: 272800 88.125 -60.4822 9.86033 -62.131 -83.8522 -68.698 10.5377 -67.7226 -10.0283 TIMING: 272800 CPU: 850.574, 0.00310798/step Wall: 850.574, 0.00310798/step, 4.08112 hours remaining, 234.039062 MB of memory in use. ENERGY: 272800 4081.9346 20455.5748 14492.4235 231.7031 -203273.1286 2774.3154 0.0000 0.0000 52256.4821 -108980.6951 300.3187 -161237.1772 -108612.8191 299.4416 -66.3445 -47.3334 762829.1400 -2.1481 -1.9185 PRESSURE: 273000 386.272 -52.3444 123.566 -52.3454 -131.252 110.042 123.565 110.042 -398.795 GPRESSURE: 273000 315.862 -81.7259 190.445 -28.7555 -13.6311 40.7542 163.061 220.625 -358.297 PRESSAVG: 273000 37.4072 -27.5907 33.9774 -27.5908 -48.1533 -48.5491 33.9774 -48.5491 -11.8134 GPRESSAVG: 273000 38.6713 -29.7283 34.0486 -28.7645 -48.1607 -49.0748 33.1139 -49.4227 -13.0819 TIMING: 273000 CPU: 851.198, 0.00312186/step Wall: 851.198, 0.00312186/step, 4.09917 hours remaining, 234.039062 MB of memory in use. ENERGY: 273000 4087.6761 20445.5925 14513.4503 233.5586 -203647.7558 3040.7946 0.0000 0.0000 52450.6580 -108876.0259 301.4347 -161326.6839 -108513.8617 298.9400 -47.9247 -18.6890 763175.7840 -7.5198 -7.5238 PRESSURE: 273200 81.4209 102.583 55.7518 102.583 95.5017 -11.15 55.7532 -11.1503 -414.19 GPRESSURE: 273200 54.4419 80.4052 27.2538 99.841 172.785 25.6249 144.737 -12.0453 -389.223 PRESSAVG: 273200 -15.9238 -31.7147 -13.9302 -31.7147 17.3638 -33.2683 -13.9301 -33.2683 7.02346 GPRESSAVG: 273200 -16.7194 -31.9356 -13.4877 -30.8449 17.2477 -32.172 -12.6928 -33.2434 8.01075 TIMING: 273200 CPU: 851.823, 0.00312431/step Wall: 851.823, 0.00312431/step, 4.10222 hours remaining, 234.039062 MB of memory in use. ENERGY: 273200 3948.2194 20447.0249 14483.6379 237.2756 -203054.6265 2995.3614 0.0000 0.0000 52105.9538 -108837.1535 299.4536 -160943.1072 -108462.7411 299.6404 -79.0893 -53.9986 765248.5611 2.8211 2.8463 PRESSURE: 273400 -379.966 -1.5204 5.09754 -1.52037 -241.446 129.215 5.09621 129.215 -38.1091 GPRESSURE: 273400 -398.605 -75.9019 62.6215 9.69055 -223.896 142.614 61.8982 40.183 20.5558 PRESSAVG: 273400 9.12752 -48.493 -13.673 -48.493 -52.0846 -20.2193 -13.673 -20.2193 -5.69293 GPRESSAVG: 273400 7.34054 -47.4326 -12.7678 -49.519 -50.1193 -21.6177 -14.9647 -21.1139 -6.14635 TIMING: 273400 CPU: 852.447, 0.00312234/step Wall: 852.447, 0.00312234/step, 4.09946 hours remaining, 234.039062 MB of memory in use. ENERGY: 273400 3964.5551 20653.2877 14488.8175 249.6438 -202985.2055 2799.6702 0.0000 0.0000 51973.6948 -108855.5363 298.6935 -160829.2311 -108488.6951 299.3789 -219.8405 -200.6485 764904.1793 -16.2167 -16.3084 PRESSURE: 273600 -175.9 63.6736 -140.497 63.6735 -47.8504 137.638 -140.496 137.638 -16.1076 GPRESSURE: 273600 -126.232 -9.68626 -103.042 149.659 -18.9391 96.425 -197.815 10.6987 -24.9585 PRESSAVG: 273600 6.30337 -57.3102 -28.1127 -57.3103 41.9099 12.3071 -28.1126 12.3071 -4.37612 GPRESSAVG: 273600 7.09673 -56.9276 -30.9807 -57.0244 40.9279 11.2189 -27.2994 10.8368 -4.30548 TIMING: 273600 CPU: 853.074, 0.00313317/step Wall: 853.074, 0.00313317/step, 4.1135 hours remaining, 234.039062 MB of memory in use. ENERGY: 273600 4042.1636 20515.6686 14516.4299 248.7377 -202950.6982 2755.2689 0.0000 0.0000 51988.8082 -108883.6214 298.7804 -160872.4295 -108526.3819 299.2518 -79.9526 -56.7099 762840.5353 14.6124 14.5730 PRESSURE: 273800 103.772 -151.475 62.5407 -151.475 -67.6201 150.928 62.5403 150.927 402.113 GPRESSURE: 273800 115.851 -48.3943 56.8855 -171.708 22.8803 216.722 113.066 98.3219 367.67 PRESSAVG: 273800 23.2444 -34.576 -10.5226 -34.576 -48.7048 18.7642 -10.5226 18.7642 -6.24008 GPRESSAVG: 273800 22.8112 -33.7449 -8.87895 -35.2075 -47.3119 20.0037 -11.9125 21.0478 -7.26979 TIMING: 273800 CPU: 853.699, 0.00312786/step Wall: 853.699, 0.00312786/step, 4.10636 hours remaining, 234.039062 MB of memory in use. ENERGY: 273800 4023.2531 20604.0727 14530.6493 247.8180 -203437.4387 3155.5520 0.0000 0.0000 52043.6757 -108832.4179 299.0957 -160876.0937 -108479.2490 299.8358 146.0884 168.8002 761158.1717 -10.5668 -10.5902 PRESSURE: 274000 -107.131 18.2304 -70.6713 18.2305 -149.451 80.3895 -70.6718 80.3896 -128.324 GPRESSURE: 274000 -57.538 -4.64652 -122.005 -15.2373 -103.408 105.498 -35.2902 126.048 -158.143 PRESSAVG: 274000 -0.878832 -19.4288 -64.0744 -19.4288 -11.8946 5.78618 -64.0744 5.78617 18.7216 GPRESSAVG: 274000 -1.13785 -21.675 -63.924 -19.8512 -12.9215 6.17304 -63.0864 5.9678 19.9881 TIMING: 274000 CPU: 854.328, 0.00314115/step Wall: 854.328, 0.00314115/step, 4.12363 hours remaining, 234.039062 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: 274000 4081.8080 20561.8573 14510.7275 263.3595 -203495.4891 3192.7003 0.0000 0.0000 52024.9965 -108860.0401 298.9884 -160885.0366 -108495.1898 299.5333 -128.3017 -106.3629 763693.5600 1.9827 1.9763 PRESSURE: 274200 -100.919 -159.599 -41.0353 -159.598 -315.105 166.857 -41.0358 166.856 -259.857 GPRESSURE: 274200 -86.0896 7.65615 19.0623 -151.133 -327.241 173.887 6.37996 117.284 -190.628 PRESSAVG: 274200 66.2169 -38.8447 -45.7924 -38.8446 -36.4387 6.32427 -45.7925 6.32428 22.6698 GPRESSAVG: 274200 64.9054 -38.3366 -45.4447 -38.2043 -35.3597 5.4968 -45.6587 5.89566 23.0663 TIMING: 274200 CPU: 854.951, 0.00311874/step Wall: 854.951, 0.00311873/step, 4.09403 hours remaining, 234.039062 MB of memory in use. ENERGY: 274200 3953.6472 20614.7418 14481.2221 250.6920 -203125.8509 2772.2941 0.0000 0.0000 51953.1193 -109100.1344 298.5753 -161053.2537 -108735.0787 299.6614 -225.2938 -201.3195 764633.7299 17.4827 17.5373 PRESSURE: 274400 100.558 49.4833 -126.918 49.4833 19.1871 22.7228 -126.918 22.7227 36.6556 GPRESSURE: 274400 83.7222 -89.2515 -83.6476 -43.7934 162.902 22.1723 -41.5682 37.8826 10.35 PRESSAVG: 274400 -19.2657 -19.137 2.68342 -19.1369 -0.188319 -25.5949 2.68332 -25.595 8.25912 GPRESSAVG: 274400 -18.4955 -19.3257 1.71326 -19.0903 -0.806866 -25.421 2.26403 -24.9888 8.36638 TIMING: 274400 CPU: 855.574, 0.00311215/step Wall: 855.574, 0.00311215/step, 4.08521 hours remaining, 234.039062 MB of memory in use. ENERGY: 274400 3926.7555 20483.3501 14475.3305 260.0717 -202981.6760 2954.4987 0.0000 0.0000 51609.3118 -109272.3577 296.5994 -160881.6695 -108912.1078 298.2186 52.1335 85.6581 764204.1047 -3.7316 -3.6453 PRESSURE: 274600 412.483 -44.8053 5.32862 -44.8059 317.524 25.9429 5.32872 25.9415 61.7706 GPRESSURE: 274600 399.574 -43.8652 -19.2005 40.4343 327.969 -41.2914 -78.0261 -96.1452 168.62 PRESSAVG: 274600 -51.8973 -21.7679 -20.124 -21.7679 37.3997 -2.86056 -20.124 -2.86046 -3.16561 GPRESSAVG: 274600 -50.8073 -20.9444 -19.7141 -21.1578 37.4818 -4.12024 -19.8232 -3.26898 -3.44795 TIMING: 274600 CPU: 856.199, 0.00312541/step Wall: 856.199, 0.00312541/step, 4.10244 hours remaining, 234.039062 MB of memory in use. ENERGY: 274600 3938.7393 20274.8678 14491.4855 252.9226 -203481.9893 3132.2561 0.0000 0.0000 52000.0573 -109391.6608 298.8450 -161391.7180 -109032.0076 297.7971 263.9260 298.7211 763173.3410 -5.8877 -5.5911 PRESSURE: 274800 -121.845 -45.0464 77.8718 -45.0465 237.446 -180.802 77.8714 -180.802 66.6558 GPRESSURE: 274800 -69.4208 48.5797 -21.9441 0.19046 249.725 -193.54 100.955 -124.72 98.5266 PRESSAVG: 274800 -13.2108 -56.0107 -36.8554 -56.0106 42.6466 21.7142 -36.8555 21.7142 1.62633 GPRESSAVG: 274800 -13.6488 -56.2949 -35.8837 -57.5023 42.6715 23.0578 -38.3692 23.9438 2.16224 TIMING: 274800 CPU: 856.822, 0.00311413/step Wall: 856.822, 0.00311413/step, 4.08747 hours remaining, 234.039062 MB of memory in use. ENERGY: 274800 3964.4347 20385.2437 14512.9771 239.4424 -203110.9238 2837.2366 0.0000 0.0000 51924.0194 -109247.5698 298.4081 -161171.5892 -108890.8495 298.4234 60.7523 92.9436 764198.2234 10.3540 10.3950 PRESSURE: 275000 -59.2797 -245.414 49.7048 -245.414 7.5418 113.844 49.7037 113.844 86.3244 GPRESSURE: 275000 -53.135 -235.947 54.592 -284.323 55.4947 42.3059 180.933 61.5297 109.947 PRESSAVG: 275000 -8.72892 -53.2198 -15.6041 -53.2198 11.7179 -26.0311 -15.6042 -26.0311 -5.30362 GPRESSAVG: 275000 -8.0713 -53.4618 -16.4888 -51.0215 11.61 -27.4669 -14.0428 -26.3964 -6.39884 TIMING: 275000 CPU: 857.444, 0.00310985/step Wall: 857.444, 0.00310985/step, 4.08168 hours remaining, 234.039062 MB of memory in use. ENERGY: 275000 3876.5250 20606.8649 14489.2954 236.5257 -202680.4160 2588.7702 0.0000 0.0000 51880.9944 -109001.4406 298.1608 -160882.4350 -108644.3554 298.8707 11.5288 37.4357 764012.3278 -0.7715 -0.9534 PRESSURE: 275200 38.6084 140.494 61.6196 140.494 -77.1248 147.729 61.62 147.73 390.029 GPRESSURE: 275200 135.638 2.75607 56.9898 77.1043 15.8032 131.038 -71.8994 214.232 269.407 PRESSAVG: 275200 29.2602 -21.2074 29.0938 -21.2074 -33.792 -28.1961 29.0938 -28.1961 24.7682 GPRESSAVG: 275200 29.2643 -21.2965 28.0646 -24.2764 -33.564 -26.8576 27.6192 -31.1699 25.0359 TIMING: 275200 CPU: 858.067, 0.00311503/step Wall: 858.067, 0.00311503/step, 4.08831 hours remaining, 234.039062 MB of memory in use. ENERGY: 275200 3929.1660 20458.5934 14474.2949 249.2590 -203021.7490 2980.2999 0.0000 0.0000 52005.8236 -108924.3122 298.8782 -160930.1359 -108556.9768 298.8956 117.1709 140.2830 764453.8098 6.7455 6.9121 PRESSURE: 275400 -311.584 -89.4182 -46.9759 -89.4179 -170.023 -219.151 -46.9756 -219.151 65.3553 GPRESSURE: 275400 -294.741 -129.037 -60.7731 -42.4556 -112.104 -144.973 10.6483 -62.3937 74.2094 PRESSAVG: 275400 33.626 -27.3271 14.458 -27.3271 -44.6668 11.0418 14.458 11.0417 -2.81036 GPRESSAVG: 275400 33.2434 -27.1023 15.6742 -27.592 -45.2723 9.95627 12.9231 14.5874 -1.50656 TIMING: 275400 CPU: 858.691, 0.00312137/step Wall: 858.691, 0.00312137/step, 4.09645 hours remaining, 234.039062 MB of memory in use. ENERGY: 275400 4014.3577 20628.0837 14456.2128 237.6183 -202621.2588 2656.6244 0.0000 0.0000 51960.3061 -108668.0558 298.6166 -160628.3620 -108305.8901 299.1961 -138.7506 -110.8787 766247.4929 -4.6171 -4.5118 PRESSURE: 275600 40.9996 -235.473 -51.1542 -235.474 215.244 -86.6803 -51.1536 -86.6806 297.931 GPRESSURE: 275600 48.23 -183.953 -91.6976 -235.437 207.252 -68.1866 33.3127 -52.4129 374.639 PRESSAVG: 275600 24.8724 -29.3899 5.09134 -29.3898 48.8177 -25.9008 5.09137 -25.9007 -2.53326 GPRESSAVG: 275600 25.1469 -29.7539 4.78551 -27.2055 49.9745 -25.6629 6.79664 -27.8629 -3.78845 TIMING: 275600 CPU: 859.313, 0.00311076/step Wall: 859.313, 0.00311076/step, 4.08235 hours remaining, 234.039062 MB of memory in use. ENERGY: 275600 3999.0765 20680.6648 14462.8425 242.9636 -203181.4664 2931.5955 0.0000 0.0000 52135.2875 -108729.0359 299.6222 -160864.3234 -108377.7758 299.7344 184.7247 210.0405 765055.8285 23.7190 23.7777 PRESSURE: 275800 -399.452 -64.9093 -46.0099 -64.9093 -10.1299 -42.0778 -46.0095 -42.0779 37.9242 GPRESSURE: 275800 -246.469 10.3179 -115.246 -39.0672 -9.35176 -16.5458 -97.5015 -5.71901 -43.8337 PRESSAVG: 275800 8.50065 -42.8411 25.8408 -42.8411 -3.00007 -16.8357 25.8408 -16.8358 17.0018 GPRESSAVG: 275800 9.28758 -42.2832 25.8836 -43.689 -3.4839 -15.8596 26.336 -15.5664 16.7824 TIMING: 275800 CPU: 859.938, 0.00312402/step Wall: 859.938, 0.00312402/step, 4.09959 hours remaining, 234.039062 MB of memory in use. ENERGY: 275800 3990.1704 20534.1872 14546.0305 268.0642 -203190.5485 2862.7852 0.0000 0.0000 52023.7241 -108965.5870 298.9811 -160989.3111 -108603.5453 299.8208 -123.8860 -99.8849 765027.9830 7.5008 7.5287 PRESSURE: 276000 -167.104 -1.2743 -30.6766 -1.27492 192.649 -136.972 -30.6767 -136.973 106.85 GPRESSURE: 276000 -28.4214 -9.63716 -51.948 0.549154 172.982 -104.605 -77.7767 -50.4636 74.8926 PRESSAVG: 276000 -24.5571 -35.3788 36.3014 -35.3789 33.2475 -52.0514 36.3014 -52.0515 -14.4552 GPRESSAVG: 276000 -25.2261 -35.8164 37.8122 -34.5104 33.2811 -53.0417 35.9498 -52.3252 -13.9397 TIMING: 276000 CPU: 860.563, 0.00312385/step Wall: 860.563, 0.00312385/step, 4.09919 hours remaining, 234.039062 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: 276000 4007.5964 20580.5295 14515.1432 246.3141 -203263.0758 2813.0825 0.0000 0.0000 51824.6862 -109275.7237 297.8372 -161100.4099 -108907.5448 298.7609 44.1318 73.1511 763340.8856 -1.9216 -1.9615 PRESSURE: 276200 88.3173 -56.8741 89.5098 -56.8733 -236.977 104.62 89.5098 104.619 -344.807 GPRESSURE: 276200 12.1157 2.2372 134.688 -4.68052 -77.5687 134.992 138.688 163.956 -360.849 PRESSAVG: 276200 -18.4153 -2.35228 -1.3324 -2.3523 31.9189 -9.85953 -1.33239 -9.85956 -21.4818 GPRESSAVG: 276200 -19.0109 -2.09885 -1.55345 -2.14238 32.0518 -9.89025 -2.78649 -11.4468 -21.1385 TIMING: 276200 CPU: 861.189, 0.00313195/step Wall: 861.189, 0.00313196/step, 4.10965 hours remaining, 234.039062 MB of memory in use. ENERGY: 276200 3990.9949 20632.2628 14452.9200 249.6519 -203331.4798 2695.8059 0.0000 0.0000 51918.1005 -109391.7438 298.3740 -161309.8443 -109031.1004 298.6155 -164.4891 -142.1007 764125.2112 -2.6594 -2.6992 LDB: ============= START OF LOAD BALANCING ============== 873.668 LDB: ============== END OF LOAD BALANCING =============== 873.668 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 873.67 LDB: ============= START OF LOAD BALANCING ============== 873.985 LDB: Largest compute 7052 load 0.030839 is 15.8% of average load 0.194759 LDB: Average compute 0.004373 is 2.2% of average load 0.194759 LDB: TIME 873.988 LOAD: AVG 0.194759 MAX 0.215633 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.809 MB LDB: TIME 873.989 LOAD: AVG 0.194759 MAX 0.215633 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.809 MB LDB: TIME 873.989 LOAD: AVG 0.194759 MAX 0.215633 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.809 MB LDB: ============== END OF LOAD BALANCING =============== 873.991 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 873.996 PRESSURE: 276400 -121.877 -51.0015 56.5668 -51.001 152.243 -57.49 56.5672 -57.4895 -76.0785 GPRESSURE: 276400 -100.037 -11.2204 22.7342 43.2549 196.471 -98.115 -7.40656 -78.1329 -50.0132 PRESSAVG: 276400 99.7112 -38.3432 1.47395 -38.3432 -71.3758 14.633 1.47395 14.633 -5.95557 GPRESSAVG: 276400 101.253 -37.962 1.9892 -37.669 -72.4798 15.2311 1.6249 13.8052 -6.11972 TIMING: 276400 CPU: 861.83, 0.00320275/step Wall: 861.83, 0.00320275/step, 4.20236 hours remaining, 235.320312 MB of memory in use. ENERGY: 276400 3985.5435 20552.6599 14509.1327 249.2658 -203647.9691 3100.8419 0.0000 0.0000 52000.4174 -109250.1079 298.8471 -161250.5253 -108888.8830 298.8948 -15.2374 15.4735 763861.5840 7.4600 7.5510 PRESSURE: 276600 181.915 35.7211 -22.9298 35.7223 -97.1202 -38.4943 -22.9292 -38.4957 450.044 GPRESSURE: 276600 159.996 84.3614 -37.3063 21.0496 -48.1574 -98.6538 -29.0514 -63.2809 491.71 PRESSAVG: 276600 -9.32576 26.9525 -0.327606 26.9525 12.8624 -72.9591 -0.327633 -72.9592 -4.22676 GPRESSAVG: 276600 -11.3504 26.4448 -1.75951 25.3472 14.5111 -74.0423 0.1179 -68.8742 -4.13371 TIMING: 276600 CPU: 862.452, 0.00311006/step Wall: 862.452, 0.00311006/step, 4.08058 hours remaining, 235.523438 MB of memory in use. ENERGY: 276600 3986.4419 20253.5906 14519.3016 233.3105 -203395.4572 3030.2922 0.0000 0.0000 52057.4359 -109315.0845 299.1748 -161372.5204 -108951.4471 298.5030 178.2799 201.1830 763542.0709 -0.2300 -0.3244 PRESSURE: 276800 56.5979 -5.24572 -98.9412 -5.24523 153.151 -32.5547 -98.9414 -32.5538 333.366 GPRESSURE: 276800 65.8858 -15.7435 -33.5843 -29.0431 164.017 -2.91351 -156.126 -31.8337 384.304 PRESSAVG: 276800 -32.6156 -56.4403 -46.9193 -56.4403 12.8166 15.285 -46.9193 15.2849 3.23137 GPRESSAVG: 276800 -31.3591 -56.1451 -46.5677 -57.4759 12.0246 14.4595 -48.3225 13.9521 3.00658 TIMING: 276800 CPU: 863.073, 0.00310491/step Wall: 863.073, 0.00310491/step, 4.07365 hours remaining, 235.781250 MB of memory in use. ENERGY: 276800 3959.5702 20503.9989 14462.6850 276.3724 -203239.9932 2742.9265 0.0000 0.0000 51965.9658 -109328.4744 298.6491 -161294.4402 -108962.8668 298.7835 181.0384 204.7356 764948.2075 -5.5226 -5.4426 PRESSURE: 277000 -163.245 21.0691 164.927 21.0695 109.06 -111.466 164.928 -111.465 0.970679 GPRESSURE: 277000 -61.5684 -15.0588 187.858 122.992 157.357 -20.2927 141.659 -104.582 -73.8823 PRESSAVG: 277000 -92.3765 -31.0354 -9.2344 -31.0354 64.105 -13.0867 -9.23436 -13.0866 2.63112 GPRESSAVG: 277000 -93.1858 -30.899 -8.93988 -29.8865 64.5707 -10.4995 -8.85207 -14.5181 3.05569 TIMING: 277000 CPU: 863.693, 0.00310253/step Wall: 863.693, 0.00310253/step, 4.07035 hours remaining, 235.781250 MB of memory in use. ENERGY: 277000 3948.1632 20357.5366 14492.0075 245.1136 -203290.4696 2950.2088 0.0000 0.0000 52262.2900 -109035.1499 300.3521 -161297.4399 -108669.6765 299.0726 -17.7383 7.3020 764436.7848 -8.5468 -8.5198 PRESSURE: 277200 -65.4875 -107.113 167.147 -107.113 238.074 3.99252 167.146 3.99317 5.23625 GPRESSURE: 277200 -5.87787 -56.8675 134.532 -114.187 225.932 -110.662 31.908 -83.8241 50.7507 PRESSAVG: 277200 -26.5531 -25.3345 20.2512 -25.3346 49.418 -27.4499 20.2512 -27.4499 3.96864 GPRESSAVG: 277200 -25.8411 -24.2573 17.1973 -23.1237 49.1409 -28.7201 21.0009 -26.5797 4.06985 TIMING: 277200 CPU: 864.312, 0.00309494/step Wall: 864.312, 0.00309494/step, 4.06021 hours remaining, 235.781250 MB of memory in use. ENERGY: 277200 4025.0440 20492.5623 14487.4393 257.3379 -203359.0532 2964.3638 0.0000 0.0000 52003.9139 -109128.3919 298.8672 -161132.3058 -108770.0608 299.1637 59.2742 90.2681 762444.6873 8.9445 9.1232 PRESSURE: 277400 -169.638 77.0896 -143.731 77.0902 -250.483 -58.8713 -143.732 -58.8707 -354.833 GPRESSURE: 277400 -183.934 -26.4076 -80.8707 58.8104 -156.472 14.056 -28.6068 -253.355 -357.483 PRESSAVG: 277400 -30.2703 10.3702 -19.9829 10.3702 33.9068 -3.17957 -19.9829 -3.17958 -4.27672 GPRESSAVG: 277400 -30.2711 9.74703 -17.1434 8.13503 34.2116 -2.74367 -18.8446 -4.0849 -4.56881 TIMING: 277400 CPU: 864.937, 0.00312303/step Wall: 864.937, 0.00312303/step, 4.0969 hours remaining, 235.781250 MB of memory in use. ENERGY: 277400 4029.9031 20386.3344 14553.1082 253.6747 -202865.6931 2453.1675 0.0000 0.0000 51838.1963 -109351.3088 297.9148 -161189.5051 -108984.4224 298.6297 -258.3178 -232.6296 764303.4746 -0.2134 -0.2094 PRESSURE: 277600 -249.851 -103.338 58.1577 -103.338 -195.618 -139.376 58.1573 -139.375 -337.434 GPRESSURE: 277600 -154.586 -128.878 21.0359 -122.626 -236.911 -190.571 -51.7129 23.2361 -275.869 PRESSAVG: 277600 -53.9693 -10.124 -52.675 -10.1241 22.2357 -57.2447 -52.6751 -57.2448 5.13388 GPRESSAVG: 277600 -54.4762 -11.4823 -53.8306 -11.7935 24.0281 -56.6532 -53.6354 -54.9183 4.19338 TIMING: 277600 CPU: 865.563, 0.00312868/step Wall: 865.563, 0.00312868/step, 4.10414 hours remaining, 235.781250 MB of memory in use. ENERGY: 277600 4048.4360 20385.5442 14517.0976 241.9750 -203413.1413 2922.1567 0.0000 0.0000 51938.8861 -109359.0458 298.4935 -161297.9319 -108998.7693 298.1065 -260.9677 -222.4552 763580.9106 -8.8666 -8.7516 PRESSURE: 277800 -299.853 1.13193 33.3945 1.13293 -794.259 20.0015 33.3948 20.0026 -263.929 GPRESSURE: 277800 -245.374 -2.81787 79.8624 78.0669 -754.821 -61.872 30.2547 8.45303 -292.791 PRESSAVG: 277800 -22.5319 11.6948 -18.2752 11.6948 25.8225 17.0953 -18.2752 17.0953 -32.1146 GPRESSAVG: 277800 -20.8627 13.3046 -16.7541 11.9585 23.5072 16.5984 -19.2204 16.1956 -31.8032 TIMING: 277800 CPU: 866.189, 0.00313109/step Wall: 866.189, 0.00313109/step, 4.10712 hours remaining, 235.781250 MB of memory in use. ENERGY: 277800 4030.7338 20735.6069 14453.8802 231.8615 -202773.6850 2221.6897 0.0000 0.0000 52003.1769 -109096.7360 298.8630 -161099.9129 -108739.9785 298.7201 -452.6805 -430.9951 763896.2777 -9.6080 -9.7196 PRESSURE: 278000 -141.505 -256.647 322.48 -256.647 -71.5124 -127.092 322.48 -127.092 75.874 GPRESSURE: 278000 -72.2427 -289.106 285.06 -238.421 -89.8878 -127.299 245.551 -178.211 93.5073 PRESSAVG: 278000 -49.0116 -23.5809 -5.46911 -23.5809 55.3206 5.14641 -5.46914 5.14641 -13.0989 GPRESSAVG: 278000 -50.3146 -25.7513 -6.26472 -22.1507 55.8307 5.56374 -6.00913 4.41838 -12.1856 TIMING: 278000 CPU: 866.816, 0.0031339/step Wall: 866.816, 0.0031339/step, 4.11063 hours remaining, 235.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 278000 4023.4166 20518.4665 14533.5627 258.1887 -203451.0705 2949.9845 0.0000 0.0000 52006.5573 -109160.8942 298.8824 -161167.4515 -108792.8703 298.7181 -45.7143 -22.8744 763939.3028 -2.2633 -2.2232 PRESSURE: 278200 -60.1276 76.5766 -9.10628 76.5764 -263.194 206.412 -9.1062 206.411 -244.831 GPRESSURE: 278200 -32.6647 64.8438 -14.5732 41.3171 -241.804 121.545 -26.9285 212.868 -216.931 PRESSAVG: 278200 -6.73215 21.3532 -19.4295 21.3532 11.0516 27.758 -19.4296 27.7581 11.9475 GPRESSAVG: 278200 -7.24216 22.7829 -19.6786 20.9836 12.4217 26.0406 -19.3372 28.0613 10.7367 TIMING: 278200 CPU: 867.442, 0.00313026/step Wall: 867.442, 0.00313026/step, 4.10569 hours remaining, 235.781250 MB of memory in use. ENERGY: 278200 4067.8818 20632.7120 14425.4359 230.9021 -203579.1670 3026.8728 0.0000 0.0000 52025.9553 -109169.4071 298.9939 -161195.3624 -108809.9084 299.2016 -189.3843 -163.8000 763843.7106 5.4223 5.3054 PRESSURE: 278400 -344.838 4.6233 104.3 4.62313 41.0408 81.1767 104.3 81.1754 51.2161 GPRESSURE: 278400 -266.122 35.1855 150.134 76.9576 -15.1808 59.5192 60.9921 120.189 105.131 PRESSAVG: 278400 -2.52895 24.2163 -10.9549 24.2163 27.1216 14.5868 -10.9548 14.5868 0.808791 GPRESSAVG: 278400 -0.878884 23.3604 -12.6301 24.3879 26.1306 14.923 -9.9055 12.5968 0.689779 TIMING: 278400 CPU: 868.066, 0.00312436/step Wall: 868.066, 0.00312436/step, 4.09777 hours remaining, 235.781250 MB of memory in use. ENERGY: 278400 3940.5379 20450.7269 14515.3965 243.3673 -203353.4177 2851.4629 0.0000 0.0000 52115.0399 -109236.8863 299.5059 -161351.9263 -108873.6587 299.0805 -84.1936 -58.7241 763549.0998 8.4671 8.6472 PRESSURE: 278600 231.365 50.6025 -162.048 50.6024 -172.104 105.233 -162.048 105.232 293.13 GPRESSURE: 278600 236.955 11.2518 -70.7483 -58.0423 -123.953 26.9537 -93.8308 52.1673 299.677 PRESSAVG: 278600 55.0036 13.7712 -35.0409 13.7713 1.00465 3.64749 -35.0409 3.64748 31.2457 GPRESSAVG: 278600 53.7532 12.0546 -33.3126 14.3834 2.84897 3.52735 -36.8819 7.22965 30.5109 TIMING: 278600 CPU: 868.689, 0.00311409/step Wall: 868.689, 0.00311409/step, 4.08413 hours remaining, 235.781250 MB of memory in use. ENERGY: 278600 4047.3593 20331.5640 14511.6350 240.3627 -203573.7375 3156.6283 0.0000 0.0000 51975.9040 -109310.2841 298.7062 -161286.1881 -108939.8880 298.7620 117.4639 137.5597 764007.3503 29.0847 29.0377 PRESSURE: 278800 -210.444 77.6649 90.7499 77.6653 83.6317 70.18 90.7487 70.1802 -180.639 GPRESSURE: 278800 -146.291 -14.0828 98.7833 37.7612 141.001 56.8687 103.546 194.801 -237.465 PRESSAVG: 278800 -25.4557 14.1411 8.59482 14.1411 18.765 35.1941 8.59488 35.194 11.0275 GPRESSAVG: 278800 -24.8597 15.1439 9.37376 12.7306 17.4915 34.875 8.97007 34.8042 11.7729 TIMING: 278800 CPU: 869.31, 0.00310279/step Wall: 869.31, 0.0031028/step, 4.06914 hours remaining, 235.781250 MB of memory in use. ENERGY: 278800 3984.4470 20555.9099 14486.9078 233.6937 -203420.0844 2807.0194 0.0000 0.0000 51970.9733 -109381.1332 298.6779 -161352.1065 -109019.6119 298.4474 -102.4838 -80.9180 764063.5907 1.4456 1.4682 PRESSURE: 279000 80.7983 72.942 -133.682 72.9431 -167.73 10.8313 -133.682 10.8312 -281.193 GPRESSURE: 279000 48.9063 151.894 -108.891 42.8606 -82.9496 -0.438984 -187.123 34.8869 -244.334 PRESSAVG: 279000 -47.793 -18.904 -23.3026 -18.904 42.2729 -23.2791 -23.3026 -23.279 5.42741 GPRESSAVG: 279000 -46.5895 -18.9111 -22.4441 -18.9678 41.8895 -24.5132 -23.0345 -22.383 4.93044 TIMING: 279000 CPU: 869.931, 0.00310464/step Wall: 869.931, 0.00310464/step, 4.07139 hours remaining, 235.781250 MB of memory in use. ENERGY: 279000 3995.0625 20556.0752 14509.4369 246.7179 -203145.8106 2769.1230 0.0000 0.0000 51703.8514 -109365.5438 297.1427 -161069.3952 -109010.2189 298.5011 -122.7082 -92.7923 763309.3163 -0.0309 0.0768 PRESSURE: 279200 -129.558 -67.044 -406.946 -67.0442 -44.9642 -159.759 -406.946 -159.759 -36.487 GPRESSURE: 279200 -52.4827 -214.636 -416.44 4.68283 -75.1083 -129.924 -115.573 -51.1873 21.9833 PRESSAVG: 279200 -24.7759 -25.0805 -2.10865 -25.0805 7.26717 -39.7254 -2.10858 -39.7255 0.124638 GPRESSAVG: 279200 -26.0683 -23.9857 -2.59175 -24.9339 7.2949 -37.8894 -0.954046 -42.9262 1.26921 TIMING: 279200 CPU: 870.556, 0.00312488/step Wall: 870.556, 0.00312488/step, 4.09776 hours remaining, 235.781250 MB of memory in use. ENERGY: 279200 4036.3430 20551.2701 14542.9003 253.2527 -203330.6924 2824.0891 0.0000 0.0000 51607.2241 -109515.6130 296.5874 -161122.8372 -109154.2585 298.3662 -70.3365 -35.2026 764664.4315 -5.7947 -5.8347 PRESSURE: 279400 142.88 220.358 -138.547 220.358 96.3339 137.996 -138.548 137.996 116.581 GPRESSURE: 279400 183.021 50.1054 -27.5387 172.273 205.727 162.47 -194.971 204.18 52.4054 PRESSAVG: 279400 -37.0982 -32.3263 -49.0588 -32.3262 39.9887 -23.6497 -49.0588 -23.6498 0.700662 GPRESSAVG: 279400 -37.3724 -32.8098 -51.1064 -32.725 40.0914 -23.9207 -47.5274 -20.8666 0.561009 TIMING: 279400 CPU: 871.179, 0.0031146/step Wall: 871.179, 0.0031146/step, 4.0841 hours remaining, 235.781250 MB of memory in use. ENERGY: 279400 3945.3476 20580.7875 14516.5513 259.8897 -203752.3074 3200.6349 0.0000 0.0000 51747.2105 -109501.8858 297.3919 -161249.0963 -109140.1762 298.3184 118.5984 147.0510 762359.9546 1.1971 1.0933 PRESSURE: 279600 -463.44 -121.003 200.769 -121.002 -400.491 179.795 200.767 179.795 -153.474 GPRESSURE: 279600 -393.85 -116.029 170.165 -204.654 -377.143 88.7177 158.663 102.623 -189.08 PRESSAVG: 279600 -29.3294 -59.4626 6.43308 -59.4627 53.2751 33.6619 6.43306 33.6619 -4.36031 GPRESSAVG: 279600 -28.4779 -58.3965 5.89971 -59.6017 51.8839 33.8861 4.61976 32.0884 -3.94749 TIMING: 279600 CPU: 871.8, 0.00310484/step Wall: 871.8, 0.00310484/step, 4.07113 hours remaining, 235.781250 MB of memory in use. ENERGY: 279600 4034.9316 20407.0515 14523.7626 251.1786 -203255.8085 2696.1729 0.0000 0.0000 51845.9988 -109496.7123 297.9597 -161342.7112 -109128.0312 297.9934 -339.1347 -320.0244 763953.6536 6.5285 6.4862 PRESSURE: 279800 103.759 -79.5985 -3.93624 -79.5985 288.253 -192.063 -3.93591 -192.062 1.68863 GPRESSURE: 279800 76.1653 -181.364 11.278 -217.937 366.05 -132.393 129.346 -178.631 16.186 PRESSAVG: 279800 7.17844 -78.9424 -11.7298 -78.9424 4.91083 -7.25277 -11.7299 -7.25282 16.0775 GPRESSAVG: 279800 6.36417 -80.5417 -8.83079 -76.2148 6.10635 -7.2278 -13.3055 -8.40349 15.3973 TIMING: 279800 CPU: 872.423, 0.00311899/step Wall: 872.423, 0.00311899/step, 4.08951 hours remaining, 235.781250 MB of memory in use. ENERGY: 279800 3906.4389 20479.1344 14559.1663 249.3216 -203355.9457 2722.7664 0.0000 0.0000 51777.6671 -109661.4510 297.5670 -161439.1181 -109296.1415 298.0022 131.2336 152.8006 763168.6959 9.3889 9.2893 PRESSURE: 280000 -72.7342 218.538 -109.343 218.538 -304.025 -217.53 -109.343 -217.531 20.601 GPRESSURE: 280000 61.5631 176.932 -102.513 99.5195 -277.156 -204.399 17.5421 -289.174 -52.8931 PRESSAVG: 280000 -3.31118 -50.6627 -8.29011 -50.6626 9.40979 -57.9945 -8.2901 -57.9945 0.205198 GPRESSAVG: 280000 -4.39384 -50.9932 -9.0837 -53.7677 9.71789 -58.9311 -6.59348 -55.6839 0.788448 TIMING: 280000 CPU: 873.045, 0.00310705/step Wall: 873.045, 0.00310705/step, 4.07369 hours remaining, 235.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 280000 4038.8582 20626.4285 14474.5936 257.1350 -203491.7971 2930.5918 0.0000 0.0000 51702.6004 -109461.5895 297.1356 -161164.1900 -109111.1538 297.8241 -118.7193 -89.4953 762102.7710 2.1013 2.0375 PRESSURE: 280200 -30.0963 -78.9097 140.818 -78.9105 -15.8017 -93.0308 140.818 -93.0313 -111.628 GPRESSURE: 280200 64.7923 -82.2523 21.0899 -118.783 -81.6982 -14.2073 15.3731 -31.7228 -55.4843 PRESSAVG: 280200 24.7392 -34.4147 -15.5747 -34.4147 7.01756 -33.833 -15.5747 -33.8331 16.5113 GPRESSAVG: 280200 27.0654 -34.849 -16.1319 -32.6539 6.3506 -32.2455 -17.3862 -37.643 14.8832 TIMING: 280200 CPU: 873.665, 0.00310263/step Wall: 873.665, 0.00310263/step, 4.06772 hours remaining, 235.781250 MB of memory in use. ENERGY: 280200 3993.5868 20435.3256 14503.6728 239.6553 -203374.8703 2887.3897 0.0000 0.0000 52165.0311 -109150.2089 299.7932 -161315.2400 -108790.4914 298.4663 -52.5086 -24.1301 764129.4462 16.0893 16.0997 LDB: ============= START OF LOAD BALANCING ============== 886.143 LDB: ============== END OF LOAD BALANCING =============== 886.143 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 886.144 LDB: ============= START OF LOAD BALANCING ============== 886.454 LDB: Largest compute 7052 load 0.030197 is 15.5% of average load 0.194843 LDB: Average compute 0.004351 is 2.2% of average load 0.194843 LDB: TIME 886.457 LOAD: AVG 0.194843 MAX 0.220805 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.512 MB LDB: TIME 886.458 LOAD: AVG 0.194843 MAX 0.220805 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.516 MB LDB: TIME 886.458 LOAD: AVG 0.194843 MAX 0.213566 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.516 MB LDB: ============== END OF LOAD BALANCING =============== 886.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 886.465 PRESSURE: 280400 -34.5107 -8.37777 71.0735 -8.37728 -183.933 91.206 71.0735 91.2065 -257.492 GPRESSURE: 280400 -10.1998 -43.6036 35.8734 51.224 -125.707 45.9132 13.2902 -18.8937 -254.812 PRESSAVG: 280400 0.206024 -54.8211 -19.4716 -54.8211 10.0123 -48.4642 -19.4717 -48.4643 -1.47824 GPRESSAVG: 280400 -1.13022 -53.1026 -20.6429 -54.2732 9.76617 -51.1095 -17.4118 -45.4688 -0.211754 TIMING: 280400 CPU: 874.299, 0.00316648/step Wall: 874.299, 0.00316648/step, 4.15125 hours remaining, 234.542969 MB of memory in use. ENERGY: 280400 4033.2729 20589.4867 14525.3398 253.2221 -203404.7214 2935.5205 0.0000 0.0000 51941.5522 -109126.3272 298.5088 -161067.8794 -108773.9407 298.7172 -158.6451 -130.2397 762054.4906 2.9134 2.8081 PRESSURE: 280600 187.192 -43.9879 -33.2972 -43.9884 -52.2137 -21.3806 -33.2977 -21.3807 -31.3484 GPRESSURE: 280600 213.316 132.69 -133.382 -33.6979 -30.8604 57.6969 -18.143 -72.9124 19.8412 PRESSAVG: 280600 44.975 -67.5828 -4.35299 -67.5828 -22.6321 0.754594 -4.35306 0.754596 25.2627 GPRESSAVG: 280600 45.5766 -68.4018 -2.72443 -68.5471 -23.0506 2.93846 -6.96879 -2.19158 24.8563 TIMING: 280600 CPU: 874.921, 0.00311373/step Wall: 874.921, 0.00311373/step, 4.08193 hours remaining, 234.609375 MB of memory in use. ENERGY: 280600 3972.0712 20501.9010 14595.6232 260.8273 -203272.9448 2805.8528 0.0000 0.0000 51829.3765 -109307.2927 297.8641 -161136.6693 -108941.1305 298.4522 34.5433 67.4324 762453.1709 15.8685 15.7941 PRESSURE: 280800 -242.933 -123.052 -239.462 -123.053 -174.996 111.228 -239.461 111.228 -251.864 GPRESSURE: 280800 -264.944 -41.4458 -199.624 -102.742 -111.497 167.449 -236.594 64.481 -223.508 PRESSAVG: 280800 -57.6095 -76.9329 33.5037 -76.9329 56.699 -51.6898 33.5037 -51.6898 -2.52903 GPRESSAVG: 280800 -57.4457 -77.5529 34.298 -76.1847 56.8743 -52.8943 35.8181 -49.0511 -2.92407 TIMING: 280800 CPU: 875.546, 0.00312224/step Wall: 875.546, 0.00312225/step, 4.09292 hours remaining, 234.609375 MB of memory in use. ENERGY: 280800 4058.7789 20401.7611 14500.1144 249.7210 -203399.5775 2794.3091 0.0000 0.0000 52085.5870 -109309.3060 299.3366 -161394.8930 -108947.0923 298.4281 -223.2644 -199.9833 762759.5527 -1.1465 -1.1652 PRESSURE: 281000 -168.583 -214.222 101.376 -214.221 -92.1959 -201.32 101.375 -201.32 14.6322 GPRESSURE: 281000 -78.762 -294.077 94.6074 -257.515 -132.028 -176.102 65.9345 -207.137 26.7571 PRESSAVG: 281000 -8.16746 -53.0624 -0.302341 -53.0624 69.271 6.58414 -0.302328 6.58418 26.5278 GPRESSAVG: 281000 -9.34927 -54.2403 -2.07107 -55.3764 69.4678 5.9394 -2.19601 5.43652 27.3162 TIMING: 281000 CPU: 876.166, 0.00309991/step Wall: 876.166, 0.00309991/step, 4.06347 hours remaining, 234.609375 MB of memory in use. ENERGY: 281000 4037.9593 20600.5656 14525.1177 259.5100 -203570.5097 2823.1012 0.0000 0.0000 51764.8284 -109559.4276 297.4932 -161324.2560 -109209.0654 298.3959 -82.0488 -61.3442 761737.2987 29.2104 29.1449 PRESSURE: 281200 -174.636 -33.6437 222.265 -33.6435 23.6252 215.484 222.265 215.484 34.0285 GPRESSURE: 281200 -199.697 -80.1479 235.398 -102.211 151.478 134.841 211.766 150.632 30.9567 PRESSAVG: 281200 -55.185 -73.7318 -0.153189 -73.7318 5.79722 -20.742 -0.153166 -20.7419 17.2745 GPRESSAVG: 281200 -54.977 -71.6404 0.708004 -72.9258 5.40703 -18.5179 0.987537 -20.7115 18.1081 TIMING: 281200 CPU: 876.79, 0.00312238/step Wall: 876.79, 0.00312238/step, 4.09275 hours remaining, 234.609375 MB of memory in use. ENERGY: 281200 4044.2099 20614.1044 14581.7381 245.9947 -203398.7604 2745.0220 0.0000 0.0000 51802.1670 -109365.5242 297.7078 -161167.6912 -109002.5182 298.2369 -38.9941 -5.7542 762257.3293 -10.7044 -10.4873 PRESSURE: 281400 -120.407 224.817 -135.805 224.817 344.244 -68.8631 -135.805 -68.8626 127.57 GPRESSURE: 281400 -35.2019 243.75 -37.9555 251.221 357.188 -111.518 -213.087 -79.7027 113.3 PRESSAVG: 281400 -50.283 -58.6133 -34.7094 -58.6132 24.9155 6.27754 -34.7094 6.2775 19.2015 GPRESSAVG: 281400 -49.452 -59.0604 -35.0762 -56.2293 25.8803 2.3657 -34.6278 7.05862 17.8012 TIMING: 281400 CPU: 877.414, 0.00311968/step Wall: 877.414, 0.00311968/step, 4.08903 hours remaining, 234.609375 MB of memory in use. ENERGY: 281400 4018.7724 20471.3214 14496.5677 237.3903 -203810.5515 3388.3353 0.0000 0.0000 51960.2119 -109237.9524 298.6161 -161198.1643 -108878.4272 298.7479 117.1357 145.0952 762408.7622 -2.0553 -1.9235 PRESSURE: 281600 -156.065 -139.498 46.32 -139.499 87.3808 1.8314 46.3198 1.83113 -140.549 GPRESSURE: 281600 -62.0897 -58.1692 15.2163 -117.57 56.1014 1.23696 123.024 -34.8553 -125.442 PRESSAVG: 281600 -82.6102 -22.2287 -59.8588 -22.2287 75.836 13.6913 -59.8589 13.6912 -17.0854 GPRESSAVG: 281600 -82.2571 -23.1536 -59.2334 -23.13 74.326 15.9693 -60.4718 16.3363 -16.9095 TIMING: 281600 CPU: 878.038, 0.00311702/step Wall: 878.038, 0.00311702/step, 4.08537 hours remaining, 234.609375 MB of memory in use. ENERGY: 281600 3984.4417 20532.0396 14524.1518 255.8297 -202937.4925 2612.2716 0.0000 0.0000 51867.6012 -109161.1568 298.0838 -161028.7580 -108797.1931 299.1377 -69.7445 -43.8101 764967.4922 -7.9532 -8.2802 PRESSURE: 281800 -27.752 -73.2803 -51.8169 -73.2819 -145.431 -177.769 -51.8168 -177.77 -306.239 GPRESSURE: 281800 -25.3998 -12.7484 -12.6759 -73.0084 -111.587 -175.92 -0.100839 -188.135 -263.541 PRESSAVG: 281800 -26.3807 -44.8445 15.4058 -44.8445 35.6596 -7.55672 15.4058 -7.55675 15.4981 GPRESSAVG: 281800 -27.0206 -43.2368 15.8651 -45.1838 35.7159 -6.89727 15.3308 -10.1752 15.3803 TIMING: 281800 CPU: 878.657, 0.00309642/step Wall: 878.657, 0.00309642/step, 4.05821 hours remaining, 234.609375 MB of memory in use. ENERGY: 281800 4014.0623 20633.1658 14544.0239 260.6189 -203583.9801 2805.2282 0.0000 0.0000 52050.7734 -109276.1075 299.1365 -161326.8810 -108911.2091 298.8803 -159.8073 -133.5093 763015.8651 8.2590 8.0252 PRESSURE: 282000 -137.973 0.103668 -87.3846 0.103778 -182.857 -107.49 -87.3853 -107.49 67.0893 GPRESSURE: 282000 -86.9337 -91.0764 -20.6503 61.3951 -147.124 -82.0676 -148.048 -125.533 71.6755 PRESSAVG: 282000 1.06446 -62.7483 -25.7375 -62.7483 12.1364 -53.7794 -25.7375 -53.7794 -7.4078 GPRESSAVG: 282000 0.351907 -62.6626 -26.9964 -61.7362 12.666 -54.2203 -25.4243 -55.4196 -7.18967 TIMING: 282000 CPU: 879.282, 0.00312741/step Wall: 879.282, 0.00312741/step, 4.09864 hours remaining, 234.609375 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: 282000 4048.6232 20450.5020 14496.5932 243.3564 -203075.0587 2890.4645 0.0000 0.0000 51809.8668 -109135.6527 297.7520 -160945.5194 -108769.2610 299.1062 -84.5802 -54.1274 763874.5524 1.9310 1.9428 PRESSURE: 282200 147.999 22.2304 -29.9984 22.2314 -75.5075 77.9364 -29.9981 77.9367 11.9802 GPRESSURE: 282200 170.615 12.2419 -23.6518 84.9172 29.1763 35.5652 -39.3079 218.818 -56.1669 PRESSAVG: 282200 -9.30094 -24.3093 -44.6265 -24.3092 56.9207 -26.0639 -44.6265 -26.0639 27.4118 GPRESSAVG: 282200 -9.56431 -24.7331 -43.8875 -27.0931 56.5176 -25.9362 -43.6452 -24.0267 27.8538 TIMING: 282200 CPU: 879.904, 0.00311002/step Wall: 879.904, 0.00311002/step, 4.07568 hours remaining, 234.609375 MB of memory in use. ENERGY: 282200 3957.8463 20559.6118 14463.9628 264.0890 -203326.1123 2841.6964 0.0000 0.0000 51972.6395 -109266.2664 298.6875 -161238.9060 -108896.2443 299.0177 28.1573 47.8749 763803.9522 25.0105 24.9357 PRESSURE: 282400 -327.253 -180.033 -187.593 -180.033 -170.013 196.976 -187.593 196.976 -229.943 GPRESSURE: 282400 -225.136 -263.168 -174.689 -130.899 -257.8 159.188 -169.939 120.895 -165.085 PRESSAVG: 282400 19.3046 -110.595 -33.1344 -110.595 -29.0543 -21.2785 -33.1344 -21.2784 -3.30345 GPRESSAVG: 282400 19.6204 -110.61 -33.0069 -108.756 -29.8333 -21.0403 -33.6174 -22.7307 -3.40688 TIMING: 282400 CPU: 880.526, 0.00310818/step Wall: 880.526, 0.00310818/step, 4.07309 hours remaining, 234.609375 MB of memory in use. ENERGY: 282400 4048.0143 20542.0847 14571.5469 247.1815 -203143.4985 2386.4774 0.0000 0.0000 51954.7115 -109393.4823 298.5844 -161348.1938 -109038.1049 298.6414 -242.4029 -216.0068 762958.6634 -4.3510 -4.5399 PRESSURE: 282600 -331.151 -110.395 75.8572 -110.395 -45.103 14.94 75.8573 14.9377 -520.341 GPRESSURE: 282600 -268.675 -123.42 22.8731 -250.696 -44.3672 111.468 126.025 -48.5938 -511.773 PRESSAVG: 282600 19.2726 -50.6465 -41.0577 -50.6465 -34.5289 -8.70014 -41.0577 -8.70015 -9.29982 GPRESSAVG: 282600 18.8187 -51.2207 -40.7625 -51.0689 -33.6501 -9.54494 -41.7938 -5.6541 -9.64031 TIMING: 282600 CPU: 881.148, 0.00310867/step Wall: 881.148, 0.00310867/step, 4.07356 hours remaining, 234.609375 MB of memory in use. ENERGY: 282600 3991.1555 20470.8079 14518.8301 250.7971 -202674.2500 2626.7145 0.0000 0.0000 51523.5828 -109292.3622 296.1067 -160815.9449 -108939.7810 298.6192 -298.8649 -274.9384 765307.1443 -8.1854 -8.1572 PRESSURE: 282800 119.731 -141.793 -9.44278 -141.794 -57.4307 -115.906 -9.44216 -115.906 -117.933 GPRESSURE: 282800 187.022 -172.789 -82.9856 -78.4614 -85.5863 -156.643 -32.4255 -123.664 -54.829 PRESSAVG: 282800 -34.702 -66.3567 -6.21715 -66.3568 12.3636 -46.7425 -6.21717 -46.7425 -0.613201 GPRESSAVG: 282800 -34.5593 -66.6853 -5.10167 -66.7445 11.573 -46.2232 -6.99451 -48.1884 0.248989 TIMING: 282800 CPU: 881.768, 0.00309895/step Wall: 881.768, 0.00309895/step, 4.06066 hours remaining, 234.609375 MB of memory in use. ENERGY: 282800 3972.2784 20476.2992 14491.3444 249.7648 -203205.8427 2900.0279 0.0000 0.0000 52141.8039 -108974.3241 299.6597 -161116.1280 -108610.9087 298.5407 -18.5441 15.5354 763678.6791 -7.6505 -7.5791 PRESSURE: 283000 -31.4034 -44.2136 -196.985 -44.2139 -89.5545 3.62651 -196.985 3.62594 176.289 GPRESSURE: 283000 -26.6397 -73.1473 -46.2517 -63.1563 -26.2626 28.3221 -209.499 -7.9441 174.434 PRESSAVG: 283000 8.02288 -46.852 -16.5475 -46.852 14.1722 8.70505 -16.5475 8.70505 25.2731 GPRESSAVG: 283000 8.24634 -44.9401 -16.867 -44.0885 14.3153 9.8904 -14.3639 8.24971 25.0103 TIMING: 283000 CPU: 882.389, 0.00310898/step Wall: 882.389, 0.00310898/step, 4.07362 hours remaining, 234.609375 MB of memory in use. ENERGY: 283000 4022.2930 20472.2180 14508.0298 231.8783 -203436.6064 2868.1782 0.0000 0.0000 51902.6832 -109431.3260 298.2854 -161334.0092 -109070.0932 299.1221 18.4437 40.5105 763227.5826 15.8227 15.8573 PRESSURE: 283200 -10.8054 -58.3285 9.36927 -58.3285 -323.58 -116.907 9.36822 -116.907 -78.2204 GPRESSURE: 283200 -4.11024 -85.0925 108.139 -75.7519 -296.368 -13.7393 25.4293 41.0264 -17.7988 PRESSAVG: 283200 53.1561 -60.4424 -28.1041 -60.4424 -4.97038 3.34786 -28.1041 3.34793 9.42391 GPRESSAVG: 283200 53.2 -59.4538 -28.4872 -63.3592 -5.07124 2.98041 -28.8123 3.01344 9.27932 TIMING: 283200 CPU: 883.011, 0.00310857/step Wall: 883.011, 0.00310857/step, 4.07292 hours remaining, 234.609375 MB of memory in use. ENERGY: 283200 4009.2903 20604.2572 14458.6595 260.3916 -203493.6439 2749.3437 0.0000 0.0000 52207.5987 -109204.1029 300.0378 -161411.7016 -108842.5271 298.9028 -137.5354 -106.0924 764061.1705 19.2032 19.1360 PRESSURE: 283400 334.672 -115.183 101.588 -115.183 -440.544 155.421 101.588 155.42 86.5469 GPRESSURE: 283400 376.8 -169.937 152.034 -94.2561 -349.032 218.154 53.2987 46.8645 29.8716 PRESSAVG: 283400 2.44638 -130.6 -0.978593 -130.6 13.2118 8.65136 -0.978673 8.65144 -11.5558 GPRESSAVG: 283400 3.34292 -134.012 -1.90598 -128.892 13.9237 7.31833 0.661181 8.22645 -13.2527 TIMING: 283400 CPU: 883.631, 0.00310032/step Wall: 883.631, 0.00310032/step, 4.06194 hours remaining, 234.609375 MB of memory in use. ENERGY: 283400 3990.5828 20597.0662 14450.5721 225.2305 -203520.8097 2982.8653 0.0000 0.0000 51898.6536 -109375.8392 298.2623 -161274.4928 -109005.5362 298.6571 -6.4416 19.2134 763924.0335 1.3674 1.3380 PRESSURE: 283600 68.2599 -32.0537 -58.353 -32.0538 290.81 23.9585 -58.3541 23.9586 -188.454 GPRESSURE: 283600 46.0176 -106.851 -95.6347 -42.5364 323.46 27.111 -188.648 -53.9457 -134.356 PRESSAVG: 283600 -27.5295 -82.2784 36.0629 -82.2784 19.6253 -50.188 36.0629 -50.188 7.35357 GPRESSAVG: 283600 -28.8688 -79.3725 35.5953 -84.3932 17.4005 -48.325 35.9855 -49.6239 10.2727 TIMING: 283600 CPU: 884.253, 0.00311147/step Wall: 884.253, 0.00311147/step, 4.07637 hours remaining, 234.609375 MB of memory in use. ENERGY: 283600 4047.5762 20564.4660 14539.6996 251.2764 -203421.8421 3026.9520 0.0000 0.0000 51806.0427 -109185.8293 297.7300 -160991.8719 -108826.4680 298.7292 56.8719 78.3738 762727.5187 -0.1835 -0.3985 PRESSURE: 283800 100.96 -111.533 -80.3521 -111.533 -15.9632 -300.997 -80.3538 -300.997 -153.644 GPRESSURE: 283800 190.039 -154.479 -77.8552 -139.925 43.5595 -255.682 -78.6128 -44.4686 -204.522 PRESSAVG: 283800 -8.75933 -76.7042 -52.9804 -76.7041 5.67817 -35.8042 -52.9804 -35.8042 5.04841 GPRESSAVG: 283800 -7.89163 -78.0374 -51.8795 -74.3472 6.83924 -36.5534 -54.6643 -33.8359 3.45358 TIMING: 283800 CPU: 884.873, 0.00309922/step Wall: 884.873, 0.00309922/step, 4.06015 hours remaining, 234.609375 MB of memory in use. ENERGY: 283800 3960.3865 20478.0354 14509.6012 259.2175 -203922.4790 3018.0675 0.0000 0.0000 52433.3289 -109263.8420 301.3351 -161697.1709 -108888.0639 298.7439 -22.8825 9.6921 761131.9561 0.6557 0.8004 PRESSURE: 284000 -23.8372 -160.07 36.7632 -160.07 -35.5673 -121.576 36.7639 -121.575 -431.495 GPRESSURE: 284000 33.5566 -174.523 56.6908 -189.357 62.865 -118.701 -41.4353 -59.1341 -498.607 PRESSAVG: 284000 -26.1293 -70.6932 48.3928 -70.6932 54.0025 -4.19685 48.3929 -4.19681 -5.15029 GPRESSAVG: 284000 -26.5576 -71.0915 47.0665 -73.6201 55.9972 -4.31273 48.6906 -4.51329 -6.25882 TIMING: 284000 CPU: 885.495, 0.00310973/step Wall: 885.495, 0.00310973/step, 4.07374 hours remaining, 234.609375 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: 284000 4032.9426 20452.8647 14524.1885 255.1638 -203233.0311 2768.2206 0.0000 0.0000 51998.5227 -109201.1280 298.8362 -161199.6508 -108831.9213 299.5932 -163.6333 -134.0618 762969.5482 7.5743 7.7269 PRESSURE: 284200 -149.779 -138.613 -236.285 -138.614 -215.311 99.9501 -236.285 99.9499 494.374 GPRESSURE: 284200 -115.716 -140.686 -209.444 -120.121 -152.585 69.4195 -226.317 162.877 483.742 PRESSAVG: 284200 69.0141 -74.5566 -13.3252 -74.5567 -15.5022 36.0397 -13.3252 36.0398 1.87073 GPRESSAVG: 284200 69.1238 -75.4013 -12.9011 -72.607 -16.8879 37.1254 -10.3428 33.765 3.3521 TIMING: 284200 CPU: 886.118, 0.00311147/step Wall: 886.118, 0.00311147/step, 4.07585 hours remaining, 234.609375 MB of memory in use. ENERGY: 284200 3904.1330 20475.1009 14490.4221 233.2064 -203558.5772 2922.4404 0.0000 0.0000 52259.6784 -109273.5960 300.3371 -161533.2744 -108912.0224 298.9238 43.0947 71.8134 762538.1917 18.4609 18.5294 LDB: ============= START OF LOAD BALANCING ============== 898.596 LDB: ============== END OF LOAD BALANCING =============== 898.596 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 898.598 LDB: ============= START OF LOAD BALANCING ============== 898.911 LDB: Largest compute 7010 load 0.029031 is 14.9% of average load 0.194797 LDB: Average compute 0.004373 is 2.2% of average load 0.194797 LDB: TIME 898.914 LOAD: AVG 0.194797 MAX 0.218241 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.086 MB LDB: TIME 898.914 LOAD: AVG 0.194797 MAX 0.218241 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.289 MB LDB: TIME 898.915 LOAD: AVG 0.194797 MAX 0.215379 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.289 MB LDB: ============== END OF LOAD BALANCING =============== 898.917 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 898.921 PRESSURE: 284400 -126.414 -28.3844 -50.7242 -28.3845 255.286 106.775 -50.7228 106.775 -494.074 GPRESSURE: 284400 -75.6358 81.3763 -35.8493 -108.648 201.345 204.733 -42.2349 148.848 -406.783 PRESSAVG: 284400 22.8606 -46.5847 -35.4777 -46.5847 -3.19526 -7.10807 -35.4777 -7.10798 24.9375 GPRESSAVG: 284400 22.3599 -43.7956 -34.1179 -46.0973 -3.65802 -8.32038 -37.591 -5.61384 25.7974 TIMING: 284400 CPU: 886.755, 0.00318959/step Wall: 886.755, 0.00318959/step, 4.17801 hours remaining, 235.191406 MB of memory in use. ENERGY: 284400 4023.8754 20480.0197 14464.2193 241.6915 -203811.5754 2962.3784 0.0000 0.0000 52379.3874 -109260.0037 301.0251 -161639.3912 -108887.2452 298.8832 -121.7340 -93.6910 762001.1124 14.8676 14.8331 PRESSURE: 284600 -149.451 -294.927 -5.24121 -294.927 85.7584 -166.244 -5.24151 -166.244 349.77 GPRESSURE: 284600 -32.7079 -258.672 6.69497 -317.036 117.526 -157.364 6.52464 -258.351 286.81 PRESSAVG: 284600 78.5941 -83.9943 -9.04379 -83.9943 -68.9241 3.95998 -9.04381 3.95999 3.33279 GPRESSAVG: 284600 79.6162 -84.266 -8.91054 -84.1436 -68.181 1.87393 -10.401 4.50523 1.84925 TIMING: 284600 CPU: 887.378, 0.00311108/step Wall: 887.378, 0.00311108/step, 4.075 hours remaining, 235.199219 MB of memory in use. ENERGY: 284600 4001.5154 20501.2495 14529.6301 262.2565 -203920.4411 3257.8416 0.0000 0.0000 52043.6022 -109324.3457 299.0953 -161367.9479 -108952.5831 299.0932 95.3590 123.8760 761988.7105 4.3343 4.4281 PRESSURE: 284800 -82.394 -189.592 -46.7191 -189.593 -49.2326 -127.923 -46.7192 -127.923 -156.218 GPRESSURE: 284800 -58.2003 -235.119 -98.4485 32.2701 -57.2269 -86.0324 -35.2645 -106.352 -115.877 PRESSAVG: 284800 14.2744 -57.7206 9.82959 -57.7207 -19.8091 -59.343 9.82958 -59.3431 11.6682 GPRESSAVG: 284800 12.6418 -59.6004 8.64459 -56.2056 -20.4034 -57.9319 9.18944 -61.5872 13.5706 TIMING: 284800 CPU: 888.005, 0.00313799/step Wall: 888.005, 0.00313799/step, 4.11007 hours remaining, 235.199219 MB of memory in use. ENERGY: 284800 3914.2495 20546.5604 14545.2864 240.9367 -203074.0593 2556.4940 0.0000 0.0000 51892.1992 -109378.3331 298.2252 -161270.5323 -109023.2528 298.5387 -95.9481 -77.1014 762752.1362 2.0445 1.9364 PRESSURE: 285000 69.6164 -208.615 -94.1728 -208.614 -128.083 43.5011 -94.1721 43.5013 7.34657 GPRESSURE: 285000 61.0633 -161.836 -4.56161 -198.899 -55.9162 131.938 -38.9933 209.097 28.9403 PRESSAVG: 285000 30.9366 -94.2496 -56.9192 -94.2496 18.8011 -21.4025 -56.9192 -21.4025 6.58777 GPRESSAVG: 285000 31.9038 -92.8435 -56.9964 -95.1454 19.1014 -19.8751 -55.6819 -20.4957 5.61635 TIMING: 285000 CPU: 888.63, 0.0031257/step Wall: 888.63, 0.00312571/step, 4.09381 hours remaining, 235.199219 MB of memory in use. ENERGY: 285000 3936.7839 20512.2868 14503.7283 265.9430 -203244.7722 2820.4220 0.0000 0.0000 51672.2612 -109533.3470 296.9612 -161205.6082 -109170.9578 298.1497 -17.0401 11.3625 763767.5392 18.7751 18.8738 PRESSURE: 285200 -258.964 -53.5439 120.721 -53.5437 -47.2254 -6.87113 120.721 -6.87181 198.314 GPRESSURE: 285200 -175.066 48.3712 184.655 -111.379 -13.699 -48.5087 131.022 -23.9304 173.602 PRESSAVG: 285200 -4.30173 14.5407 -36.5358 14.5407 -43.6362 91.589 -36.5357 91.589 -18.6935 GPRESSAVG: 285200 -3.68457 16.7409 -35.4328 13.331 -43.0745 89.9855 -37.6192 92.2675 -19.3998 TIMING: 285200 CPU: 889.252, 0.00310948/step Wall: 889.252, 0.00310948/step, 4.07238 hours remaining, 235.199219 MB of memory in use. ENERGY: 285200 4032.6359 20346.5369 14459.8484 248.4709 -203971.4788 3233.8767 0.0000 0.0000 51933.3211 -109716.7890 298.4615 -161650.1101 -109366.2908 297.7033 -35.9583 -5.0545 763598.3748 -22.2105 -22.0529 PRESSURE: 285400 -138.034 -92.7256 -120.376 -92.726 -74.0677 244.336 -120.376 244.335 119.55 GPRESSURE: 285400 -32.4259 -220.306 -43.2975 -86.4532 -66.1894 163.946 -125.809 173.475 101.316 PRESSAVG: 285400 -39.8163 -11.0996 -3.62289 -11.0996 -29.1161 38.5825 -3.6228 38.5825 -18.422 GPRESSAVG: 285400 -39.5282 -14.3806 -3.996 -11.1983 -30.8967 39.7877 -2.06973 37.2352 -17.3583 TIMING: 285400 CPU: 889.876, 0.0031175/step Wall: 889.876, 0.0031175/step, 4.08271 hours remaining, 235.199219 MB of memory in use. ENERGY: 285400 3911.1057 20251.5276 14446.5005 220.2079 -203296.6312 2878.0971 0.0000 0.0000 51809.6397 -109779.5527 297.7507 -161589.1924 -109406.1164 297.2075 -30.8507 0.9004 765615.0383 -29.1182 -29.2611 PRESSURE: 285600 -231.097 41.8455 -36.2138 41.8451 -205.197 -145.497 -36.2133 -145.497 -87.0435 GPRESSURE: 285600 -177.542 -27.2715 11.0764 -1.57317 -135.247 -17.0431 -21.596 -28.6405 -115.319 PRESSAVG: 285600 13.3039 -20.2485 -17.4847 -20.2485 -51.01 30.4383 -17.4847 30.4383 7.77189 GPRESSAVG: 285600 13.6582 -19.7745 -17.3274 -17.6463 -49.8168 30.1527 -18.8604 32.107 6.35933 TIMING: 285600 CPU: 890.497, 0.00310441/step Wall: 890.497, 0.00310441/step, 4.0654 hours remaining, 235.199219 MB of memory in use. ENERGY: 285600 3962.6558 20531.7067 14534.7164 228.0945 -203279.2477 2831.9000 0.0000 0.0000 51640.9753 -109549.1991 296.7814 -161190.1744 -109189.3788 297.7736 -174.4456 -142.7025 764991.6264 -9.9781 -9.9331 PRESSURE: 285800 -160.174 -46.0189 -40.1378 -46.0197 -221.648 243.881 -40.1369 243.881 77.5956 GPRESSURE: 285800 -91.6711 -113.64 6.70719 -50.7014 -174.03 278.783 55.8009 141.13 51.6699 PRESSAVG: 285800 -4.73737 -35.9214 18.8453 -35.9215 -40.2664 56.7013 18.8452 56.7013 4.72127 GPRESSAVG: 285800 -5.04815 -36.1101 19.0552 -35.9242 -40.0054 55.1817 19.6906 55.6353 4.94353 TIMING: 285800 CPU: 891.116, 0.00309634/step Wall: 891.116, 0.00309635/step, 4.05466 hours remaining, 235.199219 MB of memory in use. ENERGY: 285800 4002.3155 20444.5223 14519.2342 256.5559 -203128.1843 2661.4302 0.0000 0.0000 51979.4349 -109264.6913 298.7265 -161244.1262 -108908.8556 297.9521 -101.4085 -71.3439 764521.9250 -13.4275 -13.3700 PRESSURE: 286000 35.1638 164.64 93.538 164.64 -271.686 -1.17773 93.5385 -1.17819 152.493 GPRESSURE: 286000 -5.20818 183.031 190.033 154.457 -116.477 38.4556 -46.9055 -105.842 130.63 PRESSAVG: 286000 7.01852 9.44214 -35.3358 9.44209 -35.7828 -15.1342 -35.3357 -15.1342 -11.2133 GPRESSAVG: 286000 6.37347 8.15805 -36.1475 8.12972 -34.8903 -14.8495 -33.6343 -16.8469 -11.0814 TIMING: 286000 CPU: 891.739, 0.00311684/step Wall: 891.739, 0.00311684/step, 4.08133 hours remaining, 235.199219 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: 286000 3951.0083 20518.9322 14464.7634 254.9454 -203176.2998 2634.4068 0.0000 0.0000 51980.2010 -109372.0427 298.7309 -161352.2437 -109008.5762 298.4598 -28.0097 2.9815 763433.3968 -13.3259 -13.1994 PRESSURE: 286200 -375.823 157.518 81.4142 157.518 -314.593 -149.523 81.4151 -149.523 -77.3919 GPRESSURE: 286200 -274.302 115.992 102.639 153.663 -302.273 -95.3054 54.184 -161.703 -111.764 PRESSAVG: 286200 -53.2939 -27.9149 15.9963 -27.9149 27.1259 -5.4289 15.9963 -5.42892 2.95287 GPRESSAVG: 286200 -52.4756 -26.7603 15.8454 -28.1099 26.0713 -4.59633 14.7462 -4.24058 2.57307 TIMING: 286200 CPU: 892.362, 0.00311577/step Wall: 892.362, 0.00311577/step, 4.07975 hours remaining, 235.199219 MB of memory in use. ENERGY: 286200 3981.1775 20568.5739 14548.5480 241.2333 -202992.7179 2294.6341 0.0000 0.0000 51980.4466 -109378.1045 298.7323 -161358.5511 -109016.1818 298.8025 -255.9362 -229.4463 761832.9948 -7.7384 -7.9437 PRESSURE: 286400 143.022 -113.143 -71.1518 -113.143 -67.8516 -19.8929 -71.1527 -19.8914 -20.13 GPRESSURE: 286400 284.886 -108.159 114.546 -147.5 -134.341 -66.7549 -147.713 -61.6189 -22.6011 PRESSAVG: 286400 9.4946 1.19604 -25.9863 1.19608 -25.063 -14.1942 -25.9864 -14.1941 8.07647 GPRESSAVG: 286400 9.1861 2.08204 -25.2689 -0.0467536 -24.965 -14.9493 -27.4477 -13.5059 7.87645 TIMING: 286400 CPU: 892.985, 0.00311483/step Wall: 892.985, 0.00311483/step, 4.07835 hours remaining, 235.199219 MB of memory in use. ENERGY: 286400 4015.3235 20484.6713 14489.3928 251.5198 -203274.4151 2782.2825 0.0000 0.0000 51857.3594 -109393.8657 298.0250 -161251.2251 -109030.8546 298.8508 18.3468 42.6481 762803.1536 -2.4973 -2.6342 PRESSURE: 286600 -133.66 102.701 -176.436 102.699 35.9697 -26.1681 -176.437 -26.1672 -214.964 GPRESSURE: 286600 -62.1973 134.202 -199.142 41.0152 -8.65737 -62.5852 -275.664 3.14742 -179.858 PRESSAVG: 286600 101.926 3.8808 -55.9207 3.88085 -62.5959 -18.3758 -55.9207 -18.3758 -3.66441 GPRESSAVG: 286600 102.124 3.80289 -55.1434 4.06765 -64.1484 -19.6729 -54.363 -18.873 -2.89594 TIMING: 286600 CPU: 893.608, 0.00311193/step Wall: 893.608, 0.00311193/step, 4.07438 hours remaining, 235.199219 MB of memory in use. ENERGY: 286600 3948.1551 20637.1496 14507.1713 255.7581 -203452.1393 2771.3156 0.0000 0.0000 52102.2951 -109230.2945 299.4326 -161332.5896 -108868.5563 298.8640 -104.2181 -83.5708 762841.9976 11.8886 11.6933 PRESSURE: 286800 -55.1914 31.7148 -92.6696 31.7157 68.5037 -17.7721 -92.6698 -17.7722 366.64 GPRESSURE: 286800 -54.6473 -48.6004 4.75556 68.5262 138.07 -3.3066 -14.6758 89.0173 373.785 PRESSAVG: 286800 43.6647 -58.7993 -22.889 -58.7992 -6.48756 0.346882 -22.8891 0.346917 9.20713 GPRESSAVG: 286800 43.2718 -60.2547 -23.8472 -59.8552 -5.50768 0.911031 -22.5279 1.14762 8.56956 TIMING: 286800 CPU: 894.23, 0.00311013/step Wall: 894.23, 0.00311013/step, 4.07185 hours remaining, 235.199219 MB of memory in use. ENERGY: 286800 4017.5663 20543.7001 14526.5949 243.0358 -203012.7603 2647.7689 0.0000 0.0000 51690.1598 -109343.9345 297.0641 -161034.0943 -108983.7467 298.7774 126.6507 152.4029 761732.1574 15.4614 15.4446 PRESSURE: 287000 95.0385 23.7191 -32.9028 23.7192 -92.7885 -155.812 -32.9026 -155.812 -340.496 GPRESSURE: 287000 126.536 200.01 -88.8428 -31.7734 -58.7113 -138.604 -93.6336 -213.565 -319.631 PRESSAVG: 287000 37.515 10.3516 -14.4148 10.3515 -73.0766 -28.404 -14.4148 -28.404 -0.241369 GPRESSAVG: 287000 36.3777 12.0329 -17.3507 13.5898 -73.0726 -26.3709 -14.291 -29.5182 0.534461 TIMING: 287000 CPU: 894.85, 0.00310297/step Wall: 894.85, 0.00310297/step, 4.0623 hours remaining, 235.199219 MB of memory in use. ENERGY: 287000 3941.6111 20455.9448 14416.6030 249.4081 -203142.5608 2748.5451 0.0000 0.0000 51825.6686 -109504.7801 297.8428 -161330.4487 -109144.9188 298.4758 -112.7487 -83.9353 762768.8989 -11.9343 -12.0535 PRESSURE: 287200 69.2088 49.8578 25.327 49.8573 -317.21 54.2252 25.3283 54.2257 -299.033 GPRESSURE: 287200 141.946 42.0419 -18.6609 52.8594 -321.484 8.2482 101.472 -14.8257 -275.799 PRESSAVG: 287200 41.3176 -14.102 -15.8023 -14.102 -63.0166 -44.7039 -15.8024 -44.7039 9.62916 GPRESSAVG: 287200 41.2787 -14.5537 -14.7406 -16.9827 -62.1741 -46.5522 -16.0249 -43.7539 9.08476 TIMING: 287200 CPU: 895.472, 0.00310803/step Wall: 895.472, 0.00310803/step, 4.06876 hours remaining, 235.199219 MB of memory in use. ENERGY: 287200 4026.7815 20539.1186 14420.1380 241.7295 -203341.0516 2776.8107 0.0000 0.0000 51904.6289 -109431.8445 298.2966 -161336.4734 -109073.2203 298.1031 -182.3448 -151.7792 762733.6669 -4.0233 -3.9369 PRESSURE: 287400 -313.525 -211.739 -64.2303 -211.739 391.765 135.43 -64.2304 135.429 54.9694 GPRESSURE: 287400 -195.912 -173.567 14.8139 -276.198 359.942 213.87 -105.081 215.444 45.9126 PRESSAVG: 287400 -26.598 -15.6188 39.8052 -15.6188 39.6759 -75.2648 39.8053 -75.2648 0.439717 GPRESSAVG: 287400 -26.3185 -13.7107 40.5358 -12.8963 38.6644 -76.3408 39.1897 -75.4126 0.832911 TIMING: 287400 CPU: 896.091, 0.00309514/step Wall: 896.091, 0.00309514/step, 4.05172 hours remaining, 235.199219 MB of memory in use. ENERGY: 287400 4010.9302 20475.1716 14473.1100 233.4752 -203339.2508 2870.9399 0.0000 0.0000 51855.8968 -109419.7272 298.0166 -161275.6240 -109059.2336 298.5421 44.4031 69.9808 764146.2118 4.5059 4.3929 PRESSURE: 287600 44.2595 -13.7025 -22.3552 -13.701 136.659 -119.547 -22.3557 -119.547 350.334 GPRESSURE: 287600 62.6911 -146.571 -47.1924 -42.1484 147.585 -69.3922 24.5431 -104.129 412.488 PRESSAVG: 287600 -19.8124 9.94192 -36.4808 9.94191 7.27261 -9.72878 -36.4808 -9.72877 -15.2696 GPRESSAVG: 287600 -20.1072 6.91699 -35.6778 7.46002 7.30048 -8.81829 -37.5415 -8.51927 -14.7271 TIMING: 287600 CPU: 896.714, 0.00311408/step Wall: 896.714, 0.00311408/step, 4.07633 hours remaining, 235.199219 MB of memory in use. ENERGY: 287600 3974.3239 20595.3705 14485.6744 251.7856 -203697.6999 3020.0249 0.0000 0.0000 52157.2198 -109213.3007 299.7483 -161370.5205 -108841.5524 298.6670 177.0841 207.5881 761092.4776 -9.2698 -9.1780 PRESSURE: 287800 -89.9941 -125.059 32.1489 -125.06 -387.317 -211.911 32.1483 -211.911 -131.526 GPRESSURE: 287800 -52.4039 -22.2826 14.4468 -106.658 -314.29 -325.838 -96.908 -237.276 -146.523 PRESSAVG: 287800 30.5981 -31.1288 -38.5201 -31.1288 -38.0128 -53.1837 -38.5201 -53.1837 -0.739104 GPRESSAVG: 287800 31.4469 -31.9511 -37.3276 -30.4772 -37.2903 -51.9687 -39.1909 -54.2635 -2.6196 TIMING: 287800 CPU: 897.337, 0.00311461/step Wall: 897.337, 0.00311461/step, 4.07685 hours remaining, 235.199219 MB of memory in use. ENERGY: 287800 4033.1742 20654.2127 14415.6955 261.3753 -203288.2755 2875.2846 0.0000 0.0000 52012.3073 -109036.2258 298.9154 -161048.5332 -108680.0890 298.7425 -202.9457 -171.0723 764052.1861 -2.7179 -2.8210 PRESSURE: 288000 -105.913 185.716 162.73 185.717 -225.817 197.643 162.73 197.644 -186.206 GPRESSURE: 288000 -116.351 216.483 237.15 95.1568 -151.121 164.564 38.5953 196.878 -190.091 PRESSAVG: 288000 25.1908 -34.5501 9.76766 -34.55 -9.60835 -3.18283 9.76767 -3.18284 21.4682 GPRESSAVG: 288000 23.7167 -34.3124 8.52942 -32.5682 -9.24382 -5.04419 9.2239 -4.91358 22.5752 TIMING: 288000 CPU: 897.959, 0.00310964/step Wall: 897.959, 0.00310964/step, 4.07017 hours remaining, 235.199219 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: 288000 3916.4697 20564.6537 14428.0219 268.8202 -202827.7633 2614.1967 0.0000 0.0000 51924.8398 -109110.7614 298.4128 -161035.6011 -108739.7235 298.7179 -172.6454 -152.5211 761813.8987 12.3502 12.3494 PRESSURE: 288200 36.2766 -182.102 -55.9254 -182.103 12.7852 150.468 -55.9252 150.467 -185.913 GPRESSURE: 288200 157.078 -146.917 -26.3989 -128.308 -46.5182 200.562 -48.2995 68.5887 -154.472 PRESSAVG: 288200 -5.50365 24.0622 -32.0517 24.0622 23.8343 28.4287 -32.0517 28.4287 -3.30082 GPRESSAVG: 288200 -4.33742 24.7416 -30.9038 22.9573 22.8669 29.5071 -30.6712 29.514 -3.5463 TIMING: 288200 CPU: 898.58, 0.00310847/step Wall: 898.58, 0.00310847/step, 4.06847 hours remaining, 235.199219 MB of memory in use. ENERGY: 288200 3994.6669 20594.0910 14525.8818 243.3558 -203145.0565 2930.4050 0.0000 0.0000 51595.2148 -109261.4412 296.5184 -160856.6560 -108906.9338 298.4114 -45.6172 -14.6374 762405.5125 5.0100 4.9944 LDB: ============= START OF LOAD BALANCING ============== 911.056 LDB: ============== END OF LOAD BALANCING =============== 911.056 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 911.058 LDB: ============= START OF LOAD BALANCING ============== 911.369 LDB: Largest compute 7052 load 0.030721 is 15.8% of average load 0.194795 LDB: Average compute 0.004363 is 2.2% of average load 0.194795 LDB: TIME 911.373 LOAD: AVG 0.194795 MAX 0.217757 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.645 MB LDB: TIME 911.373 LOAD: AVG 0.194795 MAX 0.217757 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.738 MB LDB: TIME 911.373 LOAD: AVG 0.194795 MAX 0.215918 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.738 MB LDB: ============== END OF LOAD BALANCING =============== 911.375 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 911.38 PRESSURE: 288400 -325.098 -221.705 57.9776 -221.705 -258.038 -116.501 57.9771 -116.501 -475.717 GPRESSURE: 288400 -286.918 -291.762 96.4499 -184.786 -265.922 -100.621 85.2554 -58.9964 -426.797 PRESSAVG: 288400 24.0587 23.7243 -37.7074 23.7243 5.7359 -55.5432 -37.7074 -55.5432 -24.3092 GPRESSAVG: 288400 25.1864 24.0855 -37.7426 22.6823 4.21934 -55.55 -36.3864 -55.0798 -23.0698 TIMING: 288400 CPU: 899.214, 0.00316867/step Wall: 899.214, 0.00316867/step, 4.14709 hours remaining, 233.644531 MB of memory in use. ENERGY: 288400 4015.6921 20529.4575 14513.4098 260.3850 -202925.3424 2518.6077 0.0000 0.0000 51752.9576 -109334.8326 297.4250 -161087.7903 -108983.6526 298.2926 -352.9510 -326.5456 763857.4834 1.8285 2.1120 PRESSURE: 288600 -254.939 2.97312 -101.844 2.97456 -9.20446 -147.967 -101.843 -147.968 -51.9747 GPRESSURE: 288600 -151.192 -58.6228 -87.4784 39.75 -67.0141 -133.153 -153.67 -76.0261 -15.0557 PRESSAVG: 288600 4.16265 -30.8401 20.2473 -30.8401 31.8987 -27.5617 20.2473 -27.5617 -20.8922 GPRESSAVG: 288600 4.05384 -31.3124 19.6382 -29.7237 33.479 -28.856 16.5479 -25.4642 -21.9414 TIMING: 288600 CPU: 899.835, 0.003106/step Wall: 899.835, 0.003106/step, 4.06489 hours remaining, 233.644531 MB of memory in use. ENERGY: 288600 4065.3012 20329.9910 14451.5890 252.8409 -203127.6694 2776.9815 0.0000 0.0000 51914.6540 -109336.3118 298.3542 -161250.9657 -108963.5047 298.3977 -105.3728 -77.7541 762773.6439 5.0564 5.1972 PRESSURE: 288800 21.5603 182.327 -205.069 182.327 324.426 194.476 -205.069 194.476 163.335 GPRESSURE: 288800 -46.0379 109.822 -165.706 40.3698 357.033 127.989 17.4116 299.794 275.442 PRESSAVG: 288800 -60.6429 -21.6758 -63.2598 -21.6759 64.6988 9.49006 -63.2598 9.49004 -13.5588 GPRESSAVG: 288800 -60.357 -21.1711 -62.76 -21.6241 64.3616 9.87457 -62.0839 7.48421 -13.4253 TIMING: 288800 CPU: 900.458, 0.00311505/step Wall: 900.458, 0.00311505/step, 4.07656 hours remaining, 233.644531 MB of memory in use. ENERGY: 288800 4064.6011 20586.3967 14409.1124 242.8798 -203364.5336 3083.0862 0.0000 0.0000 51744.9426 -109233.5148 297.3789 -160978.4574 -108879.5300 298.1008 169.7740 195.4790 761833.4009 -3.1676 -3.1402 PRESSURE: 289000 -301.933 -210.163 457.204 -210.162 -56.2591 -204.908 457.204 -204.908 226.201 GPRESSURE: 289000 -193.781 -87.4861 506.314 -179.805 9.19499 -153.168 417.796 -139.846 139.78 PRESSAVG: 289000 7.52464 -14.3945 47.3586 -14.3945 31.4243 54.3926 47.3586 54.3926 -6.08942 GPRESSAVG: 289000 7.15804 -13.0347 46.6604 -15.2612 31.6834 56.9609 47.0291 53.3583 -6.45735 TIMING: 289000 CPU: 901.081, 0.00311196/step Wall: 901.081, 0.00311196/step, 4.07234 hours remaining, 233.644531 MB of memory in use. ENERGY: 289000 3939.9694 20465.1235 14407.0973 258.4688 -203447.0670 2896.0396 0.0000 0.0000 52229.8755 -109250.4930 300.1658 -161480.3685 -108881.4597 298.1739 -43.9971 -14.9354 763961.9315 10.9532 10.7947 PRESSURE: 289200 54.6484 261.616 -40.8773 261.617 -304.689 -333.028 -40.877 -333.028 -39.5645 GPRESSURE: 289200 73.0406 158.783 -65.3424 225.97 -273.2 -317.888 -144.798 -183.774 -3.80564 PRESSAVG: 289200 34.0757 12.5236 -17.9366 12.5236 -40.672 -44.7692 -17.9366 -44.7692 -5.50781 GPRESSAVG: 289200 34.0158 12.1202 -17.6973 12.2747 -40.8676 -48.1489 -17.8066 -42.2444 -5.39012 TIMING: 289200 CPU: 901.703, 0.00311124/step Wall: 901.703, 0.00311124/step, 4.07123 hours remaining, 233.644531 MB of memory in use. ENERGY: 289200 4031.2960 20481.2788 14520.9685 246.1499 -203093.6636 2695.5883 0.0000 0.0000 52204.9642 -108913.4179 300.0226 -161118.3821 -108541.8125 299.1012 -96.5351 -67.9884 762914.4913 -4.0347 -4.0806 PRESSURE: 289400 19.526 131.335 -168.321 131.335 96.9898 -262.567 -168.321 -262.568 -98.0237 GPRESSURE: 289400 88.3194 82.9905 -230.206 148.067 16.1474 -192.713 -167.254 -115.815 11.1856 PRESSAVG: 289400 9.60991 -24.7102 -19.0057 -24.7102 -14.6919 12.5589 -19.0057 12.5589 5.96343 GPRESSAVG: 289400 9.75667 -25.3498 -19.8763 -26.0652 -15.3416 14.1687 -20.1361 13.4091 6.55358 TIMING: 289400 CPU: 902.326, 0.00311674/step Wall: 902.326, 0.00311674/step, 4.07825 hours remaining, 233.644531 MB of memory in use. ENERGY: 289400 3976.2114 20494.2818 14431.2742 235.6495 -203012.4049 2850.2902 0.0000 0.0000 52110.6747 -108914.0231 299.4808 -161024.6977 -108558.5356 299.4209 6.1640 38.5508 763628.3787 0.2938 0.3229 PRESSURE: 289600 50.8283 78.4206 -26.4338 78.4215 -339.662 190.393 -26.4336 190.392 -62.8989 GPRESSURE: 289600 118.612 -37.4225 40.0564 114.793 -276.621 83.4596 -25.2526 70.0903 -103.676 PRESSAVG: 289600 50.7652 -17.9471 -9.33472 -17.9471 -16.1918 40.1601 -9.33471 40.1601 -6.13632 GPRESSAVG: 289600 49.1397 -18.283 -7.16987 -16.7904 -13.991 41.3706 -8.49937 37.2348 -6.9117 TIMING: 289600 CPU: 902.953, 0.00313499/step Wall: 902.953, 0.00313499/step, 4.10196 hours remaining, 233.644531 MB of memory in use. ENERGY: 289600 4051.9517 20637.8068 14492.1954 277.3927 -203202.6661 2649.9246 0.0000 0.0000 52103.7011 -108989.6938 299.4407 -161093.3949 -108620.9304 299.5435 -117.2443 -87.2285 764388.8832 9.4790 9.4123 PRESSURE: 289800 128.792 -56.0933 -69.3122 -56.093 -10.7013 -65.586 -69.3128 -65.586 0.313595 GPRESSURE: 289800 186.042 -70.9068 -9.21835 -119.066 30.1331 -10.6389 -55.5778 -119.815 -8.27135 PRESSAVG: 289800 -3.03734 -5.26829 -10.2853 -5.26822 5.66185 -17.8573 -10.2852 -17.8573 25.0295 GPRESSAVG: 289800 -2.30947 -4.3717 -10.8766 -5.42883 4.77324 -18.9181 -8.96349 -17.4042 24.8257 TIMING: 289800 CPU: 903.578, 0.00312266/step Wall: 903.578, 0.00312266/step, 4.08566 hours remaining, 233.644531 MB of memory in use. ENERGY: 289800 4035.3879 20604.0881 14396.7941 245.1479 -203590.8269 3026.5957 0.0000 0.0000 52281.1052 -109001.7081 300.4602 -161282.8133 -108628.2682 299.5571 39.4681 69.3014 762528.7726 9.2180 9.0965 PRESSURE: 290000 -118.147 -50.549 0.183522 -50.5484 158.197 -123.566 0.182371 -123.566 122.272 GPRESSURE: 290000 -64.8622 -15.1839 -6.94814 -73.3717 186.37 -64.1093 54.0028 2.27745 141.845 PRESSAVG: 290000 1.3622 12.1621 37.4811 12.162 8.8203 -20.1851 37.4811 -20.1852 -8.76938 GPRESSAVG: 290000 1.14296 13.0654 37.3394 13.0607 8.94583 -20.6198 36.6556 -19.401 -8.2145 TIMING: 290000 CPU: 904.199, 0.00310674/step Wall: 904.199, 0.00310674/step, 4.06465 hours remaining, 233.644531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 290000 4040.7678 20388.9104 14500.5600 251.9874 -203494.9217 3089.6188 0.0000 0.0000 51889.1998 -109333.8776 298.2079 -161223.0773 -108975.8631 299.1967 54.1071 87.7841 763063.2221 0.4710 0.6248 PRESSURE: 290200 28.6704 151.088 13.7983 151.087 0.0724627 173.709 13.7976 173.71 444.345 GPRESSURE: 290200 40.0641 54.0513 -6.87353 72.0692 51.2275 126.315 99.0828 127.391 479.72 PRESSAVG: 290200 9.46762 19.4422 15.5119 19.4422 44.3909 -14.9425 15.5118 -14.9424 15.3141 GPRESSAVG: 290200 8.95592 16.2956 14.9533 18.6022 44.1423 -15.1903 14.6068 -16.0665 15.4715 TIMING: 290200 CPU: 904.818, 0.00309481/step Wall: 904.818, 0.00309481/step, 4.04888 hours remaining, 233.644531 MB of memory in use. ENERGY: 290200 4052.2159 20566.4561 14368.2911 229.6374 -203497.0950 2950.9797 0.0000 0.0000 52071.5706 -109257.9443 299.2560 -161329.5148 -108898.1955 298.5180 157.6959 190.3371 764040.0388 23.0575 22.8566 PRESSURE: 290400 -50.798 85.9505 -1.58971 85.9504 170.742 19.6188 -1.5894 19.6189 407.037 GPRESSURE: 290400 -0.806022 198.948 -69.5028 53.0255 179.695 -68.8916 96.3117 82.1345 423.753 PRESSAVG: 290400 27.4107 -4.80277 -20.6931 -4.80273 -19.8426 14.2135 -20.6931 14.2135 -14.7677 GPRESSAVG: 290400 28.0933 -2.74562 -19.1819 -5.06311 -19.555 14.5313 -20.0992 15.9232 -15.7541 TIMING: 290400 CPU: 905.437, 0.00309528/step Wall: 905.437, 0.00309528/step, 4.04932 hours remaining, 233.644531 MB of memory in use. ENERGY: 290400 4093.4961 20651.0500 14479.0436 216.0802 -203441.0420 3115.1958 0.0000 0.0000 51977.4461 -108908.7302 298.7151 -160886.1762 -108550.8985 299.0766 175.6603 200.8807 763307.2469 -2.3999 -2.4052 PRESSURE: 290600 -346.812 -9.1322 -143.101 -9.13307 -52.4448 153.038 -143.101 153.038 -308.359 GPRESSURE: 290600 -236.801 -19.4784 -168.393 40.0279 -99.2201 210.997 -150.505 162.239 -286.552 PRESSAVG: 290600 -46.2892 37.106 19.0626 37.106 25.5082 17.4861 19.0626 17.4862 9.4061 GPRESSAVG: 290600 -46.8865 37.4076 16.7174 37.3271 25.648 18.7724 17.6162 17.0557 10.2918 TIMING: 290600 CPU: 906.054, 0.00308325/step Wall: 906.054, 0.00308325/step, 4.03341 hours remaining, 233.644531 MB of memory in use. ENERGY: 290600 4073.5303 20548.4942 14441.9018 244.8817 -203236.7351 2761.0442 0.0000 0.0000 52058.9594 -109107.9235 299.1836 -161166.8828 -108735.3992 299.3672 -235.8719 -207.5243 764539.5329 -3.7916 -3.6489 PRESSURE: 290800 -153.162 -224.533 20.3058 -224.533 216.222 188.721 20.3053 188.722 -173.593 GPRESSURE: 290800 -80.3699 -32.0499 -81.4262 -257.579 237.725 197.8 -94.2054 221.227 -188.151 PRESSAVG: 290800 -85.6675 -44.9926 39.8128 -44.9926 82.746 -14.9568 39.8128 -14.9567 5.64834 GPRESSAVG: 290800 -85.2282 -44.5542 41.1968 -45.0636 82.8426 -14.82 39.4516 -14.2914 5.16546 TIMING: 290800 CPU: 906.676, 0.00310954/step Wall: 906.676, 0.00310954/step, 4.06763 hours remaining, 233.644531 MB of memory in use. ENERGY: 290800 3935.9408 20701.1171 14443.9919 232.2525 -203248.2195 2759.8227 0.0000 0.0000 52383.2579 -108791.8366 301.0473 -161175.0945 -108418.0911 299.3999 -36.8443 -10.2653 764109.0460 0.9089 0.9266 PRESSURE: 291000 314.413 162.267 -63.8563 162.266 -328.111 -39.6602 -63.8554 -39.6596 184.052 GPRESSURE: 291000 234.529 197.339 -167.437 126.987 -290.841 18.2344 -17.9303 -89.4323 294.427 PRESSAVG: 291000 16.6111 -41.2097 -2.01451 -41.2096 -26.1487 22.5577 -2.01453 22.5578 18.587 GPRESSAVG: 291000 15.009 -42.1766 -4.22769 -43.1919 -24.3342 23.5383 0.271824 21.6449 18.1652 TIMING: 291000 CPU: 907.296, 0.00310217/step Wall: 907.296, 0.00310217/step, 4.05782 hours remaining, 233.644531 MB of memory in use. ENERGY: 291000 3933.5417 20568.7763 14423.8389 249.2608 -203324.6183 3018.2710 0.0000 0.0000 52237.6873 -108893.2424 300.2107 -161130.9297 -108531.3021 299.5733 56.7847 79.3717 765880.8560 3.0165 2.9467 PRESSURE: 291200 39.4186 -180.57 -188.341 -180.57 -99.6934 181.782 -188.341 181.781 -156.968 GPRESSURE: 291200 43.0876 -65.3397 -169.101 -94.6775 -2.8711 163.978 -158.859 87.0507 -182.478 PRESSAVG: 291200 -13.3873 -27.8577 7.24408 -27.8577 -19.6621 -2.63835 7.24407 -2.63832 20.7601 GPRESSAVG: 291200 -13.2845 -27.0979 9.67347 -26.094 -19.9177 -3.26424 7.1924 -2.91867 22.0119 TIMING: 291200 CPU: 907.918, 0.0031069/step Wall: 907.918, 0.0031069/step, 4.06383 hours remaining, 233.644531 MB of memory in use. ENERGY: 291200 4070.1668 20616.6523 14523.8313 258.4504 -203553.7983 2871.0743 0.0000 0.0000 52196.8797 -109016.7434 299.9762 -161213.6231 -108655.8488 299.4423 -72.4141 -47.4206 763743.1038 -4.0964 -3.7301 PRESSURE: 291400 218.68 -2.17545 -159.98 -2.17467 321.887 3.61676 -159.98 3.61774 -175.848 GPRESSURE: 291400 286.746 44.0441 -187.162 124.507 331.468 -10.8569 -178.045 -143.633 -180.551 PRESSAVG: 291400 -35.261 -26.2815 8.5983 -26.2815 49.4198 -27.2243 8.59827 -27.2243 18.4595 GPRESSAVG: 291400 -34.6251 -27.0601 8.42866 -24.8251 49.3165 -28.1205 9.8519 -26.135 17.5593 TIMING: 291400 CPU: 908.539, 0.00310869/step Wall: 908.539, 0.00310869/step, 4.066 hours remaining, 233.644531 MB of memory in use. ENERGY: 291400 3999.4162 20549.5029 14490.6106 241.1067 -203535.9204 3083.5183 0.0000 0.0000 52188.2686 -108983.4972 299.9267 -161171.7658 -108626.7033 299.3864 121.5729 145.8876 761754.4523 10.8728 10.7502 PRESSURE: 291600 -0.688372 -113.194 -138.899 -113.194 -71.1276 186.725 -138.899 186.726 -119.528 GPRESSURE: 291600 95.0541 -120.121 -97.935 -135.535 -107.322 169.239 -170.525 261.119 -125.954 PRESSAVG: 291600 27.2121 -56.7935 -4.44657 -56.7935 -12.6311 -63.9672 -4.44655 -63.9671 -4.04264 GPRESSAVG: 291600 27.8398 -54.779 -5.50142 -59.4843 -14.0273 -64.5389 -5.01009 -63.7442 -3.97408 TIMING: 291600 CPU: 909.16, 0.00310126/step Wall: 909.16, 0.00310126/step, 4.05611 hours remaining, 233.644531 MB of memory in use. ENERGY: 291600 4010.7229 20639.7196 14476.9034 241.7987 -203201.5190 2635.0908 0.0000 0.0000 52082.6894 -109114.5941 299.3199 -161197.2836 -108754.6844 299.1568 -63.7813 -46.0740 764561.9471 3.5128 3.2795 PRESSURE: 291800 -143.772 57.0428 62.2248 57.0432 -171.784 1.34165 62.2248 1.34312 154.558 GPRESSURE: 291800 -86.6769 64.1658 71.8443 67.857 -109.201 -27.2846 -77.5408 7.94416 131.384 PRESSAVG: 291800 -7.69689 -45.288 -9.7387 -45.2879 -6.49935 10.5127 -9.73872 10.5127 12.9136 GPRESSAVG: 291800 -8.65969 -45.9545 -9.84994 -43.8074 -6.05007 9.41998 -10.2522 8.99633 13.1788 TIMING: 291800 CPU: 909.784, 0.00312309/step Wall: 909.784, 0.00312308/step, 4.08447 hours remaining, 233.644531 MB of memory in use. ENERGY: 291800 4005.0507 20385.8887 14462.5560 249.3645 -203122.5007 2826.9846 0.0000 0.0000 52086.8397 -109105.8165 299.3438 -161192.6561 -108738.6928 299.0163 -53.6656 -21.4977 764883.3929 -0.4276 -0.5103 PRESSURE: 292000 -315.412 -247.117 72.4644 -247.116 126.672 146.933 72.4647 146.933 86.9267 GPRESSURE: 292000 -258.157 -220.621 -8.32001 -145.96 140.192 54.4426 315.35 240.804 84.0689 PRESSAVG: 292000 -35.9337 -28.0723 -22.9518 -28.0722 65.2947 -25.2486 -22.9519 -25.2487 -9.55273 GPRESSAVG: 292000 -35.4721 -31.087 -22.3004 -25.9149 66.1616 -23.6176 -22.8087 -23.1233 -10.5616 TIMING: 292000 CPU: 910.407, 0.00311181/step Wall: 910.407, 0.00311181/step, 4.06956 hours remaining, 233.644531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 292000 4014.7704 20482.2732 14486.9506 247.2979 -203203.8035 2646.5400 0.0000 0.0000 52156.9988 -109168.9725 299.7470 -161325.9713 -108808.1489 299.3408 -33.9380 -11.2988 762196.9189 6.6028 6.7093 PRESSURE: 292200 -258.237 -2.65889 -126.196 -2.65888 -88.0374 -79.8353 -126.197 -79.8351 116.426 GPRESSURE: 292200 -238.825 140.963 -93.3938 -25.5835 -79.7458 -22.6984 -145.301 -176.972 160.833 PRESSAVG: 292200 -39.0169 -26.8059 -0.0632322 -26.8059 24.5309 7.15393 -0.0631971 7.15397 -20.0152 GPRESSAVG: 292200 -38.6155 -23.4482 -1.55152 -27.7164 23.6371 7.94191 1.8073 4.84447 -19.3597 TIMING: 292200 CPU: 911.029, 0.00310979/step Wall: 911.029, 0.00310979/step, 4.06674 hours remaining, 233.644531 MB of memory in use. ENERGY: 292200 3953.6845 20534.4972 14480.0957 255.0636 -203062.9392 2579.9513 0.0000 0.0000 52111.9556 -109147.6913 299.4881 -161259.6469 -108794.7336 299.5166 -76.6160 -52.5793 763986.3597 -11.5004 -11.4461 LDB: ============= START OF LOAD BALANCING ============== 923.507 LDB: ============== END OF LOAD BALANCING =============== 923.507 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 923.509 LDB: ============= START OF LOAD BALANCING ============== 923.821 LDB: Largest compute 7052 load 0.031208 is 16.0% of average load 0.194699 LDB: Average compute 0.004378 is 2.2% of average load 0.194699 LDB: TIME 923.825 LOAD: AVG 0.194699 MAX 0.219948 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.211 MB LDB: TIME 923.825 LOAD: AVG 0.194699 MAX 0.219948 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.211 MB LDB: TIME 923.825 LOAD: AVG 0.194699 MAX 0.214408 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.211 MB LDB: ============== END OF LOAD BALANCING =============== 923.828 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 923.832 PRESSURE: 292400 61.1649 206.902 5.2065 206.901 187.147 53.3243 5.20625 53.3238 141.475 GPRESSURE: 292400 70.423 144.135 -60.7744 106.347 314.506 55.2241 190.719 -86.376 89.7824 PRESSAVG: 292400 1.49841 0.199982 -45.6508 0.199936 68.2942 8.96952 -45.6508 8.96953 8.1105 GPRESSAVG: 292400 2.3257 -3.30973 -45.414 -0.0770719 66.5101 9.86241 -47.2737 5.74143 9.02444 TIMING: 292400 CPU: 911.666, 0.00318962/step Wall: 911.666, 0.00318962/step, 4.17096 hours remaining, 235.066406 MB of memory in use. ENERGY: 292400 4000.9534 20518.5980 14413.5509 240.7010 -203667.8371 3109.7420 0.0000 0.0000 52075.8169 -109308.4750 299.2804 -161384.2919 -108942.3252 298.8112 129.9289 158.2372 762932.2245 25.9677 25.9534 PRESSURE: 292600 29.7174 -12.3334 -118.468 -12.3339 118.739 -120.686 -118.468 -120.687 228.902 GPRESSURE: 292600 110.226 -19.1754 -179.677 86.5021 104.657 -144.444 -105.879 17.2317 256.866 PRESSAVG: 292600 -11.2745 7.1018 -67.4317 7.10174 4.92262 -9.36005 -67.4317 -9.36003 -5.41859 GPRESSAVG: 292600 -12.2445 8.51508 -67.7669 7.84374 5.97474 -12.9273 -68.3005 -3.31783 -5.07887 TIMING: 292600 CPU: 912.288, 0.0031081/step Wall: 912.288, 0.0031081/step, 4.06419 hours remaining, 235.066406 MB of memory in use. ENERGY: 292600 3983.2989 20494.2747 14477.4975 248.2092 -203133.2789 2757.9732 0.0000 0.0000 52116.2429 -109055.7825 299.5128 -161172.0253 -108697.6766 299.1673 125.7862 157.2495 761821.3116 -3.9235 -3.7829 PRESSURE: 292800 -153.306 -142.588 24.9953 -142.588 341.36 152.598 24.995 152.599 -19.7956 GPRESSURE: 292800 11.6271 -216.511 -10.5264 9.46921 305.909 153.732 -5.74507 168.301 -72.3248 PRESSAVG: 292800 -18.183 -20.194 -62.8621 -20.194 -66.4141 -4.87827 -62.8621 -4.8782 -3.96427 GPRESSAVG: 292800 -17.4849 -18.8567 -63.406 -20.9512 -66.6058 -3.01444 -63.3604 -6.40559 -4.63828 TIMING: 292800 CPU: 912.91, 0.00310893/step Wall: 912.91, 0.00310893/step, 4.0651 hours remaining, 235.066406 MB of memory in use. ENERGY: 292800 3928.1123 20458.1040 14454.8766 258.6098 -202891.9454 2749.3725 0.0000 0.0000 52181.6283 -108861.2418 299.8885 -161042.8701 -108498.7767 299.3378 56.0864 81.7372 763528.5554 -29.5204 -29.5763 PRESSURE: 293000 51.8323 10.2532 211.658 10.2539 76.9305 24.5098 211.659 24.5099 284.65 GPRESSURE: 293000 78.1424 82.8622 177.142 -90.6978 195.719 90.9222 210.988 -74.2459 220.92 PRESSAVG: 293000 -43.6128 7.41725 -45.2606 7.41726 24.134 -10.0756 -45.2606 -10.0755 11.6143 GPRESSAVG: 293000 -44.2338 5.61536 -43.7897 6.77295 25.2949 -9.53267 -46.2482 -9.64901 11.1322 TIMING: 293000 CPU: 913.534, 0.00312113/step Wall: 913.534, 0.00312113/step, 4.08088 hours remaining, 235.066406 MB of memory in use. ENERGY: 293000 3961.8096 20739.1831 14484.5297 229.0328 -203276.1543 2705.0641 0.0000 0.0000 52138.4221 -109018.1129 299.6402 -161156.5350 -108658.3683 298.9572 137.8044 164.9273 761903.3183 -2.6215 -2.6022 PRESSURE: 293200 -248.739 -48.5313 212.136 -48.5311 -211.268 61.0829 212.137 61.0848 26.8137 GPRESSURE: 293200 -256.557 -80.535 301.557 -126.089 -102.658 -3.88951 169.739 -3.41387 -4.05072 PRESSAVG: 293200 -37.1935 33.7955 -17.7662 33.7955 65.9552 -5.72634 -17.7661 -5.72638 5.62637 GPRESSAVG: 293200 -37.3708 35.1215 -15.7214 34.2211 65.8041 -6.82162 -18.8257 -8.62983 5.81261 TIMING: 293200 CPU: 914.156, 0.0031096/step Wall: 914.156, 0.0031096/step, 4.06564 hours remaining, 235.066406 MB of memory in use. ENERGY: 293200 4115.6856 20617.9558 14410.4948 227.8612 -203058.0144 2526.1461 0.0000 0.0000 52259.3231 -108900.5480 300.3350 -161159.8710 -108531.4164 299.7376 -144.3978 -121.0888 763717.4954 11.4627 11.4153 PRESSURE: 293400 -447.251 162.187 -194.418 162.186 192.832 -187.869 -194.417 -187.868 -568.056 GPRESSURE: 293400 -404.854 103.374 -202.435 122.579 197.724 -87.3016 -141.618 -36.8441 -541.898 PRESSAVG: 293400 -93.2699 1.0061 51.7295 1.00612 27.642 -4.45529 51.7295 -4.45528 -12.108 GPRESSAVG: 293400 -93.6451 0.888689 48.7396 1.33863 26.7336 -2.78706 53.5053 -4.35056 -10.5331 TIMING: 293400 CPU: 914.779, 0.00311658/step Wall: 914.779, 0.00311658/step, 4.07458 hours remaining, 235.066406 MB of memory in use. ENERGY: 293400 4050.0155 20404.0499 14483.9703 238.2607 -203091.0340 2786.3628 0.0000 0.0000 52198.3332 -108930.0417 299.9845 -161128.3749 -108566.6243 299.3838 -274.1585 -249.6760 764951.6601 -25.9120 -25.8149 PRESSURE: 293600 -480.004 68.9488 -119.293 68.9482 -108.97 -227.921 -119.294 -227.921 -0.652107 GPRESSURE: 293600 -509.813 193.737 -122.783 66.7889 13.1117 -193.056 -129.286 -264.467 0.805502 PRESSAVG: 293600 -70.0977 15.5332 55.4787 15.5332 -2.42673 -25.9791 55.4787 -25.9791 -2.92047 GPRESSAVG: 293600 -67.9982 15.2946 55.7977 14.591 -3.23447 -28.4405 56.3275 -24.2942 -3.87481 TIMING: 293600 CPU: 915.404, 0.0031215/step Wall: 915.404, 0.00312151/step, 4.08085 hours remaining, 235.066406 MB of memory in use. ENERGY: 293600 4062.4041 20521.0858 14472.1003 247.6045 -202874.6832 2556.6057 0.0000 0.0000 52046.3865 -108968.4963 299.1113 -161014.8828 -108603.0428 299.6427 -196.5422 -165.2986 762299.5609 -25.1483 -25.0358 PRESSURE: 293800 306.433 -50.66 -259.215 -50.6601 -119.358 87.9258 -259.216 87.9265 502.892 GPRESSURE: 293800 370.729 -104.126 -243.613 -40.2503 -140.568 86.7316 -198.645 68.6276 535.46 PRESSAVG: 293800 -42.1222 41.4262 -33.562 41.4262 54.2387 21.0855 -33.5621 21.0855 23.1754 GPRESSAVG: 293800 -42.9056 41.6256 -32.7953 43.1618 54.7193 22.0197 -34.9185 23.182 23.2163 TIMING: 293800 CPU: 916.028, 0.00312381/step Wall: 916.028, 0.00312381/step, 4.08369 hours remaining, 235.066406 MB of memory in use. ENERGY: 293800 3958.6308 20727.3968 14459.8636 282.1618 -203348.4344 2850.1241 0.0000 0.0000 52181.6408 -108888.6165 299.8886 -161070.2573 -108522.3467 300.1073 229.9892 255.2071 762306.3213 11.7639 11.6767 PRESSURE: 294000 9.79435 -39.9482 -133.131 -39.9479 -16.8042 -50.1868 -133.132 -50.1867 -43.5361 GPRESSURE: 294000 8.72592 -180.944 -105.694 -84.2988 13.6442 -120.39 -167.539 -69.4688 -0.480751 PRESSAVG: 294000 -37.0332 -19.7092 -10.9487 -19.7092 47.7384 -18.7802 -10.9487 -18.7802 8.76405 GPRESSAVG: 294000 -36.6065 -20.0983 -10.0941 -21.0732 48.0336 -18.1116 -9.74173 -21.0623 8.18851 TIMING: 294000 CPU: 916.652, 0.00311661/step Wall: 916.652, 0.00311661/step, 4.07411 hours remaining, 235.066406 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: 294000 4118.1963 20550.0741 14434.0194 255.3936 -203714.2995 3294.6683 0.0000 0.0000 52287.3641 -108774.5839 300.4962 -161061.9479 -108413.8351 300.2612 -16.8486 7.2964 763383.0681 6.4898 6.5385 PRESSURE: 294200 -322.382 -68.9588 42.6632 -68.9594 -193.706 169.08 42.6637 169.081 30.0797 GPRESSURE: 294200 -178.774 13.904 138.338 -76.6617 -316.51 172.792 -38.8379 78.12 84.5619 PRESSAVG: 294200 -5.6702 19.7319 3.17717 19.7319 13.1439 9.99604 3.17717 9.99606 11.8083 GPRESSAVG: 294200 -5.95919 18.8821 1.19437 20.7149 13.6524 10.2278 1.12808 9.93153 11.736 TIMING: 294200 CPU: 917.276, 0.0031198/step Wall: 917.276, 0.0031198/step, 4.0781 hours remaining, 235.066406 MB of memory in use. ENERGY: 294200 4002.3634 20835.4403 14411.5630 225.1805 -202706.7967 2489.0886 0.0000 0.0000 52029.9115 -108713.2494 299.0166 -160743.1609 -108361.9450 299.7953 -162.0029 -136.9074 764381.2613 6.4273 6.4764 PRESSURE: 294400 -176.864 -20.9366 -52.079 -20.9365 2.13158 9.54545 -52.079 9.54543 217.737 GPRESSURE: 294400 -119.194 -171.494 26.9533 -39.3221 47.3953 77.1539 -106.74 63.8066 191.889 PRESSAVG: 294400 0.363791 9.23645 -23.3772 9.23649 -23.8755 44.3184 -23.3772 44.3185 20.3613 GPRESSAVG: 294400 1.05005 8.74352 -22.7162 9.50106 -24.899 43.0606 -23.1568 45.6665 20.8655 TIMING: 294400 CPU: 917.897, 0.0031082/step Wall: 917.897, 0.0031082/step, 4.06276 hours remaining, 235.066406 MB of memory in use. ENERGY: 294400 3962.6297 20431.1525 14380.5477 247.8361 -202946.1934 2610.3087 0.0000 0.0000 52165.8368 -109147.8818 299.7978 -161313.7186 -108771.2997 299.1461 14.3349 40.0302 764212.4595 -1.0501 -0.9945 PRESSURE: 294600 -39.621 68.9685 -101.237 68.9684 89.7383 -79.9189 -101.236 -79.9198 -13.6483 GPRESSURE: 294600 -25.3077 -104.696 -70.5787 44.3618 138.622 -14.4363 -25.885 -113.268 26.8026 PRESSAVG: 294600 -0.25517 -1.32385 -8.01142 -1.32386 10.4866 44.3606 -8.01141 44.3607 -19.4086 GPRESSAVG: 294600 -0.521901 -1.45503 -7.23237 -3.29011 11.035 45.794 -6.96259 43.4305 -18.9134 TIMING: 294600 CPU: 918.519, 0.00311066/step Wall: 918.519, 0.00311066/step, 4.06581 hours remaining, 235.066406 MB of memory in use. ENERGY: 294600 3969.0543 20534.7601 14441.8106 251.3734 -203104.2263 2868.6924 0.0000 0.0000 52057.7046 -108980.8308 299.1763 -161038.5354 -108630.3794 298.9225 12.1563 46.7055 763272.1558 -3.0591 -2.8001 PRESSURE: 294800 115.825 -42.7541 -253.483 -42.7548 -303.697 -0.133628 -253.482 -0.134157 -442.807 GPRESSURE: 294800 -24.8387 -2.42531 -215.221 79.563 -189.019 8.74954 -139.937 40.1177 -328.767 PRESSAVG: 294800 -13.481 -48.1958 -11.4228 -48.1957 29.6379 13.6763 -11.4227 13.6763 10.0056 GPRESSAVG: 294800 -14.6955 -48.0591 -12.982 -47.5484 31.1815 14.4303 -10.3514 14.6595 9.53164 TIMING: 294800 CPU: 919.142, 0.00311311/step Wall: 919.142, 0.00311311/step, 4.06884 hours remaining, 235.066406 MB of memory in use. ENERGY: 294800 4012.4546 20427.2895 14420.4874 242.5602 -202654.4269 2547.9747 0.0000 0.0000 51958.9680 -109044.6925 298.6089 -161003.6605 -108694.1651 299.0807 -210.2263 -180.8749 763467.7893 8.7209 8.6726 PRESSURE: 295000 -65.7419 -36.7836 110.329 -36.784 132.048 -186.52 110.329 -186.52 -10.1103 GPRESSURE: 295000 40.0478 -30.4872 35.8547 33.9502 140.75 -175.748 71.5968 -88.2181 -38.2759 PRESSAVG: 295000 -54.8923 -49.3902 -28.8801 -49.3902 30.5704 25.719 -28.8801 25.7191 -27.8415 GPRESSAVG: 295000 -53.5371 -48.78 -29.2188 -50.758 29.207 24.9303 -29.6767 25.9056 -27.9914 TIMING: 295000 CPU: 919.766, 0.00312079/step Wall: 919.766, 0.00312079/step, 4.0787 hours remaining, 235.066406 MB of memory in use. ENERGY: 295000 4033.5039 20643.0215 14468.5504 240.7070 -203751.0687 3223.0921 0.0000 0.0000 52082.4819 -109059.7119 299.3187 -161142.1938 -108700.4976 299.1853 18.7319 47.5074 762659.5872 -17.3878 -17.4405 PRESSURE: 295200 -378.543 -184.526 191.064 -184.526 160.639 -207.559 191.064 -207.561 -238.685 GPRESSURE: 295200 -289.379 -86.7998 157.94 -95.2263 148.754 -128.589 79.8574 -226.025 -237.351 PRESSAVG: 295200 1.64093 -21.9787 -13.9037 -21.9787 29.6944 -28.7047 -13.9037 -28.7047 -25.7342 GPRESSAVG: 295200 -0.627381 -21.069 -12.0598 -21.109 30.318 -29.3999 -15.1497 -29.7593 -24.6359 TIMING: 295200 CPU: 920.391, 0.00312214/step Wall: 920.391, 0.00312214/step, 4.0803 hours remaining, 235.066406 MB of memory in use. ENERGY: 295200 4026.6222 20615.1589 14399.6481 243.3545 -203471.6292 2839.9393 0.0000 0.0000 52139.3353 -109207.5710 299.6455 -161346.9063 -108846.7339 298.7489 -152.1962 -125.9920 763811.0186 1.8670 1.6849 PRESSURE: 295400 -12.3167 -77.1154 -259.38 -77.1151 114.426 -77.0799 -259.38 -77.0794 109.941 GPRESSURE: 295400 95.8299 -121.255 -200.832 -36.8081 117.99 -121.981 -187.712 -21.3015 72.7547 PRESSAVG: 295400 -17.9721 -52.7827 -16.9037 -52.7827 38.9768 -4.96604 -16.9036 -4.96614 28.5769 GPRESSAVG: 295400 -16.8238 -53.5944 -16.6226 -52.4338 39.0767 -4.50649 -15.5636 -5.16368 27.4887 TIMING: 295400 CPU: 921.019, 0.0031398/step Wall: 921.019, 0.0031398/step, 4.1032 hours remaining, 235.066406 MB of memory in use. ENERGY: 295400 4024.6612 20498.2132 14479.1971 238.8858 -203438.1933 3103.5837 0.0000 0.0000 51856.1843 -109237.4680 298.0182 -161093.6523 -108881.6997 299.0633 70.6835 95.5248 763477.2279 16.5272 16.5805 PRESSURE: 295600 63.8884 10.4867 80.2753 10.4869 6.76727 38.8809 80.2762 38.881 -33.5208 GPRESSURE: 295600 71.7751 -33.5286 88.2708 80.1039 116.125 69.6965 176.974 -51.2797 -74.6375 PRESSAVG: 295600 -49.3903 -8.90995 10.2907 -8.90997 -5.81365 -11.9591 10.2907 -11.9591 -6.81499 GPRESSAVG: 295600 -49.1509 -8.39813 11.3475 -8.60018 -6.66524 -11.4599 10.5298 -12.6329 -6.26683 TIMING: 295600 CPU: 921.642, 0.00311526/step Wall: 921.642, 0.00311526/step, 4.07095 hours remaining, 235.066406 MB of memory in use. ENERGY: 295600 4000.9354 20489.7333 14463.1398 251.6782 -203247.2700 2928.7054 0.0000 0.0000 51911.4002 -109201.6777 298.3355 -161113.0779 -108837.6450 298.2245 12.3783 37.7543 764462.9728 -20.6730 -20.6943 PRESSURE: 295800 60.1005 -1.74524 104.911 -1.74553 43.9833 154.73 104.909 154.729 227.232 GPRESSURE: 295800 23.5893 -29.7752 175.144 -24.6196 124.456 185.464 90.7744 164.051 258.574 PRESSAVG: 295800 -2.80027 -71.8035 -6.46042 -71.8034 1.05242 4.8293 -6.46038 4.82928 -5.34707 GPRESSAVG: 295800 -4.1263 -71.4623 -7.69785 -73.5641 1.83462 5.80248 -7.55424 6.57395 -4.73574 TIMING: 295800 CPU: 922.266, 0.00312018/step Wall: 922.266, 0.00312018/step, 4.07721 hours remaining, 235.066406 MB of memory in use. ENERGY: 295800 4001.4503 20665.2329 14456.9071 264.8477 -203745.9646 3278.7588 0.0000 0.0000 51861.7531 -109217.0146 298.0502 -161078.7677 -108852.5910 298.7216 110.4386 135.5397 764500.7465 -2.3650 -2.3425 PRESSURE: 296000 58.637 -91.6933 -51.2977 -91.6929 -227.834 -25.6145 -51.2984 -25.6151 -182.227 GPRESSURE: 296000 99.7231 -86.0661 -71.236 -180.704 -225.267 -81.4893 -108.466 33.6963 -158.379 PRESSAVG: 296000 -3.5666 -1.23945 -25.8955 -1.2394 45.5527 -4.88 -25.8954 -4.88003 -10.5284 GPRESSAVG: 296000 -2.19053 -1.97586 -26.2572 0.0892203 43.4709 -5.31347 -26.7869 -5.08965 -9.82916 TIMING: 296000 CPU: 922.889, 0.00311397/step Wall: 922.889, 0.00311397/step, 4.06893 hours remaining, 235.066406 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: 296000 4019.8565 20518.6354 14429.8751 235.9477 -202832.7576 2616.9248 0.0000 0.0000 51813.3233 -109198.1947 297.7719 -161011.5180 -108835.3210 298.9062 -117.1415 -94.6410 764924.6242 10.4859 10.4837 PRESSURE: 296200 65.2718 126.247 68.4456 126.247 122.675 -37.2107 68.4457 -37.2113 -129.229 GPRESSURE: 296200 60.6937 65.573 89.387 107.995 183.843 62.7805 27.8397 -116.391 -132.341 PRESSAVG: 296200 -1.83083 12.0853 -4.98896 12.0853 0.248341 -56.9061 -4.98899 -56.9061 -4.07756 GPRESSAVG: 296200 -2.24222 12.2276 -6.51745 12.4265 1.88023 -57.4469 -2.38391 -56.3982 -5.45859 TIMING: 296200 CPU: 923.508, 0.00309983/step Wall: 923.508, 0.00309982/step, 4.05027 hours remaining, 235.066406 MB of memory in use. ENERGY: 296200 4001.8414 20395.9564 14396.5479 257.5350 -202751.8290 2573.9914 0.0000 0.0000 52082.2635 -109043.6934 299.3175 -161125.9569 -108664.9301 298.8948 19.5726 37.3985 764171.0670 -1.8867 -1.9402 LDB: ============= START OF LOAD BALANCING ============== 935.986 LDB: ============== END OF LOAD BALANCING =============== 935.986 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 935.988 LDB: ============= START OF LOAD BALANCING ============== 936.299 LDB: Largest compute 7052 load 0.030670 is 15.8% of average load 0.194723 LDB: Average compute 0.004367 is 2.2% of average load 0.194723 LDB: TIME 936.302 LOAD: AVG 0.194723 MAX 0.214951 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.473 MB LDB: TIME 936.303 LOAD: AVG 0.194723 MAX 0.214951 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.547 MB LDB: TIME 936.303 LOAD: AVG 0.194723 MAX 0.214951 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.547 MB LDB: ============== END OF LOAD BALANCING =============== 936.305 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 936.31 Info: useSync: 0 useProxySync: 0 PRESSURE: 296400 -182.743 182.331 -209.377 182.331 131.673 11.7131 -209.377 11.7128 -68.1307 GPRESSURE: 296400 -90.0117 50.1344 -176.538 204.121 178.905 -9.67381 -116.744 59.8613 -102.206 PRESSAVG: 296400 -63.4952 26.4598 46.9336 26.4599 47.2165 1.39093 46.9336 1.39095 0.0748832 GPRESSAVG: 296400 -63.0914 26.9756 49.3393 24.2922 46.2819 1.63543 44.7453 1.20068 0.908107 TIMING: 296400 CPU: 924.144, 0.00317591/step Wall: 924.144, 0.0031759/step, 4.1495 hours remaining, 234.605469 MB of memory in use. ENERGY: 296400 3996.0088 20471.2916 14460.1420 259.8415 -203128.6017 2859.8913 0.0000 0.0000 51914.4410 -109166.9855 298.3530 -161081.4265 -108816.0818 298.6900 -39.7337 -4.4376 765951.3226 -5.4013 -5.3005 PRESSURE: 296600 -174.32 -266.65 192.54 -266.65 -97.8551 16.5863 192.539 16.5869 1.63247 GPRESSURE: 296600 -93.896 -316.291 106.689 -179.545 -104.957 52.2489 167.386 -63.4341 10.0458 PRESSAVG: 296600 -2.02271 -31.3197 30.4845 -31.3197 -14.361 -29.7256 30.4844 -29.7255 -11.4009 GPRESSAVG: 296600 -1.54749 -30.1252 29.5229 -29.4 -13.1121 -29.4653 31.5831 -31.3297 -12.6177 TIMING: 296600 CPU: 924.767, 0.00311429/step Wall: 924.767, 0.00311429/step, 4.06882 hours remaining, 234.605469 MB of memory in use. ENERGY: 296600 3978.2376 20520.6403 14369.2825 262.0171 -203321.7732 3036.9441 0.0000 0.0000 51970.4525 -109184.1992 298.6749 -161154.6516 -108816.4315 298.6646 -90.1807 -62.9358 765206.5315 -9.2615 -9.0924 PRESSURE: 296800 -259.622 -196.828 -67.2251 -196.828 39.6767 6.82706 -67.225 6.82758 34.8675 GPRESSURE: 296800 -127.634 -202.98 -37.7447 -242.229 5.51403 -3.97872 -20.2235 21.1655 4.55158 PRESSAVG: 296800 3.4784 -50.3368 36.999 -50.3368 -6.5054 -12.8069 36.999 -12.807 7.41061 GPRESSAVG: 296800 3.64313 -50.4056 37.4642 -50.6626 -8.14167 -12.8626 38.2658 -11.5066 8.87388 TIMING: 296800 CPU: 925.392, 0.00312596/step Wall: 925.392, 0.00312596/step, 4.08389 hours remaining, 234.605469 MB of memory in use. ENERGY: 296800 4066.9860 20292.5708 14495.5311 241.9846 -202787.3665 2546.6808 0.0000 0.0000 52197.0855 -108946.5277 299.9774 -161143.6132 -108584.3083 298.8211 -61.6924 -39.1894 764447.1230 1.4612 1.4584 PRESSURE: 297000 75.3644 -212.961 -231.524 -212.961 -215.22 168.064 -231.523 168.064 307.718 GPRESSURE: 297000 137.197 -129.16 -222.326 -196.524 -170.531 31.9982 -256.913 158.963 297.873 PRESSAVG: 297000 21.5615 -49.352 3.49981 -49.3519 -35.1706 53.1506 3.49979 53.1506 -0.0726086 GPRESSAVG: 297000 20.2564 -48.9295 3.35055 -51.6011 -33.2861 53.2421 2.26023 52.109 -0.151436 TIMING: 297000 CPU: 926.014, 0.00311388/step Wall: 926.014, 0.00311388/step, 4.06794 hours remaining, 234.605469 MB of memory in use. ENERGY: 297000 3997.8317 20649.8736 14411.4774 232.8357 -203265.0470 2900.7496 0.0000 0.0000 52288.6524 -108783.6265 300.5036 -161072.2789 -108418.6505 299.3522 55.9543 88.1798 763798.4884 -4.5606 -4.3937 PRESSURE: 297200 146.909 -47.4179 108.285 -47.4184 -171.176 249.845 108.285 249.847 -133.214 GPRESSURE: 297200 148.724 -121.639 142.214 64.4668 -123.226 180.929 145.058 118.516 -99.593 PRESSAVG: 297200 37.8091 -34.3312 46.4677 -34.3312 -15.3148 -21.0684 46.4677 -21.0683 4.72571 GPRESSAVG: 297200 38.9603 -36.5528 47.2201 -33.0415 -15.951 -22.1262 47.779 -21.3644 4.06814 TIMING: 297200 CPU: 926.637, 0.00311055/step Wall: 926.637, 0.00311055/step, 4.06342 hours remaining, 234.605469 MB of memory in use. ENERGY: 297200 3909.2999 20529.0698 14382.2359 239.0037 -202674.3405 2537.6230 0.0000 0.0000 51996.2179 -109080.8902 298.8230 -161077.1081 -108718.4977 299.3051 -52.4938 -24.6981 763915.0215 9.0733 9.0258 PRESSURE: 297400 2.36777 -238.791 71.7549 -238.792 -106.973 -87.1688 71.754 -87.1692 -292.741 GPRESSURE: 297400 26.437 -149.783 38.3429 -245.806 -68.2183 -79.8746 17.0764 -159.718 -255.604 PRESSAVG: 297400 -3.9494 -39.9768 6.44799 -39.9768 3.07713 -34.7094 6.44799 -34.7094 4.38138 GPRESSAVG: 297400 -4.89974 -38.6255 3.67098 -41.9618 3.36506 -32.7026 5.05875 -36.1486 4.45774 TIMING: 297400 CPU: 927.261, 0.00312081/step Wall: 927.261, 0.00312081/step, 4.07665 hours remaining, 234.605469 MB of memory in use. ENERGY: 297400 3973.0613 20324.1659 14536.2480 248.1959 -202637.6659 2421.7039 0.0000 0.0000 52150.2980 -108983.9928 299.7085 -161134.2908 -108615.8053 298.9930 -132.4490 -99.1286 763410.8507 1.1697 0.9744 PRESSURE: 297600 -253.346 -75.3021 117.353 -75.3013 -22.2861 -259.571 117.354 -259.57 -179.168 GPRESSURE: 297600 -236.016 -180.932 94.6406 27.4605 -28.5933 -221.877 211.225 -156.612 -125.598 PRESSAVG: 297600 14.9093 -43.8799 -28.4363 -43.8799 35.228 0.839881 -28.4363 0.839806 13.2437 GPRESSAVG: 297600 14.3671 -44.5824 -28.8703 -41.5693 35.1052 -2.85751 -26.011 4.55753 13.4453 TIMING: 297600 CPU: 927.887, 0.00313332/step Wall: 927.887, 0.00313332/step, 4.09281 hours remaining, 234.605469 MB of memory in use. ENERGY: 297600 3917.9985 20645.1965 14508.8575 247.3733 -202903.5295 2670.0749 0.0000 0.0000 52026.0222 -108888.0067 298.9943 -160914.0289 -108532.4534 299.0270 -151.6001 -130.0692 762683.7414 21.1270 20.9725 PRESSURE: 297800 -254.256 83.4599 -102.845 83.4592 -121.168 134.357 -102.845 134.356 -12.4496 GPRESSURE: 297800 -235.494 73.3304 -35.3525 132.444 -31.049 173.356 -138.362 17.8882 -45.7808 PRESSAVG: 297800 20.3496 2.081 30.5444 2.08101 -5.50892 -38.7179 30.5445 -38.7179 20.4434 GPRESSAVG: 297800 21.5763 2.36284 33.3183 2.66025 -5.63711 -38.3438 26.5598 -39.696 20.1873 TIMING: 297800 CPU: 928.512, 0.00312123/step Wall: 928.512, 0.00312123/step, 4.07684 hours remaining, 234.605469 MB of memory in use. ENERGY: 297800 4007.7770 20465.7743 14430.7839 243.8809 -202429.1630 2461.2889 0.0000 0.0000 51998.2159 -108821.4421 298.8345 -160819.6580 -108457.1973 299.2772 -129.2911 -104.1081 764356.6597 11.7614 12.0422 PRESSURE: 298000 -234.311 -139.02 -38.8701 -139.019 -154.767 -141.009 -38.869 -141.01 128.143 GPRESSURE: 298000 -264.372 -118.401 -29.3602 -115.111 -7.20388 -103.784 -68.1503 -167.397 79.9486 PRESSAVG: 298000 -20.7463 -1.74214 17.255 -1.74221 -12.3413 -44.4717 17.255 -44.4718 5.54639 GPRESSAVG: 298000 -20.9941 -1.8362 16.6435 -1.45259 -11.5043 -41.8291 19.0828 -46.7297 5.05388 TIMING: 298000 CPU: 929.136, 0.00312114/step Wall: 929.136, 0.00312114/step, 4.07655 hours remaining, 234.605469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 298000 3895.2594 20518.6860 14545.8703 251.2169 -202624.2810 2644.6098 0.0000 0.0000 52038.4740 -108730.1646 299.0658 -160768.6386 -108367.8828 298.8243 -86.9784 -63.8756 765355.2317 -9.1804 -9.1482 PRESSURE: 298200 -248.698 -10.8156 -51.1528 -10.8154 -150.351 206.109 -51.1526 206.108 -107.497 GPRESSURE: 298200 -209.442 8.59493 -77.6076 17.5228 -138.59 271.789 -14.9416 154.698 -75.6611 PRESSAVG: 298200 50.8862 -14.0283 24.6778 -14.0283 3.14192 6.79359 24.6778 6.79373 -4.66536 GPRESSAVG: 298200 51.8769 -15.795 24.3165 -15.6534 2.05407 7.67917 24.5682 7.82508 -4.60966 TIMING: 298200 CPU: 929.762, 0.00312923/step Wall: 929.762, 0.00312923/step, 4.08695 hours remaining, 234.605469 MB of memory in use. ENERGY: 298200 3987.6451 20523.6344 14502.7650 227.2937 -202536.7808 2471.2219 0.0000 0.0000 52129.4424 -108694.7785 299.5886 -160824.2208 -108335.0424 299.4411 -168.8490 -141.2311 765802.5081 16.4543 16.4404 PRESSURE: 298400 239.53 -97.0724 18.1039 -97.0729 101.298 279.524 18.1031 279.524 349.243 GPRESSURE: 298400 292.796 -75.0836 25.8841 -196.671 96.506 207.06 159.906 224.093 381.197 PRESSAVG: 298400 20.9176 -72.1597 -23.2535 -72.1597 -24.6787 27.4901 -23.2535 27.4901 10.2471 GPRESSAVG: 298400 20.6859 -71.3498 -21.6047 -73.5272 -24.2213 25.6305 -22.6966 26.4461 10.8583 TIMING: 298400 CPU: 930.386, 0.00312324/step Wall: 930.386, 0.00312324/step, 4.07896 hours remaining, 234.605469 MB of memory in use. ENERGY: 298400 3982.5720 20557.2191 14466.9114 249.3713 -202892.0679 2863.2845 0.0000 0.0000 52029.9284 -108742.7813 299.0167 -160772.7097 -108384.8245 299.2590 230.0235 256.8331 764471.5183 2.1620 2.4410 PRESSURE: 298600 91.922 54.6236 170.821 54.6229 486.358 -139.235 170.821 -139.235 217.731 GPRESSURE: 298600 128.665 81.7637 146.122 164.399 459.792 -195.388 35.4543 -91.0904 298.998 PRESSAVG: 298600 27.1756 -40.7743 -8.51158 -40.7743 -23.6786 21.5441 -8.51165 21.5441 22.5432 GPRESSAVG: 298600 28.3213 -36.5305 -9.28647 -41.2216 -23.9547 21.2797 -10.8391 21.8657 22.2495 TIMING: 298600 CPU: 931.012, 0.00312688/step Wall: 931.012, 0.00312688/step, 4.08353 hours remaining, 234.605469 MB of memory in use. ENERGY: 298600 3940.7519 20507.8701 14453.1223 264.8629 -202974.2737 2717.3901 0.0000 0.0000 52225.4111 -108864.8654 300.1402 -161090.2765 -108487.5167 299.2219 265.3368 295.8180 762132.5059 8.6801 8.8720 PRESSURE: 298800 191.22 -90.329 -7.38448 -90.3286 -5.96685 22.8152 -7.38377 22.8164 -76.6765 GPRESSURE: 298800 126.045 -138.713 -29.0329 -217.834 154.512 19.6434 -9.08434 -43.9285 -73.9685 PRESSAVG: 298800 33.0786 -31.4929 4.48022 -31.4929 -0.471987 -1.93586 4.48018 -1.93594 10.6609 GPRESSAVG: 298800 32.3339 -34.8968 3.58528 -31.8744 -1.21 -3.23363 6.80106 1.38051 11.681 TIMING: 298800 CPU: 931.637, 0.00312584/step Wall: 931.637, 0.00312584/step, 4.082 hours remaining, 234.605469 MB of memory in use. ENERGY: 298800 4017.9464 20604.8087 14496.0022 249.3215 -202411.2491 2384.5986 0.0000 0.0000 51849.3150 -108809.2566 297.9787 -160658.5716 -108467.3697 299.3596 36.1921 68.8628 764070.2018 14.4225 14.2683 PRESSURE: 299000 -333.229 24.8073 -50.7619 24.8074 79.5689 -68.3616 -50.7621 -68.3624 -34.1409 GPRESSURE: 299000 -244.844 33.0487 -94.7056 77.5822 80.7153 -76.0568 -21.1406 75.5385 -67.3812 PRESSAVG: 299000 -11.3674 -34.064 -19.3403 -34.064 33.6682 -4.19717 -19.3404 -4.19723 -15.1191 GPRESSAVG: 299000 -12.257 -33.6273 -18.3551 -32.6535 34.7159 -2.684 -18.6194 -6.29211 -15.3583 TIMING: 299000 CPU: 932.26, 0.00311331/step Wall: 932.26, 0.00311331/step, 4.06547 hours remaining, 234.605469 MB of memory in use. ENERGY: 299000 4020.9342 20481.9994 14514.1117 245.7274 -203147.6287 3012.1540 0.0000 0.0000 52120.1570 -108752.5450 299.5353 -160872.7020 -108380.2299 299.4797 -95.9337 -77.1699 763132.7156 2.3939 2.3669 PRESSURE: 299200 -105.26 -162.749 174.226 -162.749 -175 -45.9863 174.226 -45.9867 115.252 GPRESSURE: 299200 11.4213 -108.413 218.996 -108.205 -151.672 4.72868 98.8235 -31.513 65.3346 PRESSAVG: 299200 -10.1619 61.3774 69.315 61.3774 12.1694 -5.00251 69.315 -5.00254 8.62193 GPRESSAVG: 299200 -8.97104 61.3567 67.6443 61.3161 11.6866 -4.18984 68.359 -4.05245 8.5464 TIMING: 299200 CPU: 932.885, 0.00312476/step Wall: 932.885, 0.00312475/step, 4.08023 hours remaining, 234.605469 MB of memory in use. ENERGY: 299200 4017.3803 20364.7585 14478.8804 274.7048 -202568.2774 2550.4485 0.0000 0.0000 51960.9033 -108921.2016 298.6200 -160882.1049 -108562.3221 299.7464 -55.0029 -24.9721 764784.7217 3.5431 3.7540 PRESSURE: 299400 -160.927 -23.4656 -116.482 -23.4646 -216.633 -41.8614 -116.482 -41.8617 -492.726 GPRESSURE: 299400 -186.518 142.456 -138.824 2.74467 -131.45 -68.9774 8.97974 89.0776 -466.639 PRESSAVG: 299400 -1.08372 20.384 53.7586 20.3841 17.9918 16.9933 53.7586 16.9933 18.9419 GPRESSAVG: 299400 -1.88763 20.7526 56.0421 23.035 18.8681 17.548 53.4596 17.0041 18.8183 TIMING: 299400 CPU: 933.509, 0.00312379/step Wall: 933.509, 0.0031238/step, 4.07881 hours remaining, 234.605469 MB of memory in use. ENERGY: 299400 4012.0866 20417.2616 14420.2363 227.0050 -203085.1832 2688.4434 0.0000 0.0000 52127.1233 -109193.0269 299.5753 -161320.1503 -108833.5544 298.9698 -290.0952 -261.5358 762881.3428 11.9500 11.9329 PRESSURE: 299600 78.4179 69.8373 -170.236 69.8373 -390.184 273.906 -170.236 273.906 -25.0315 GPRESSURE: 299600 12.5262 158.866 -149.381 -11.9427 -250.533 293.381 -143.663 306.895 -17.1694 PRESSAVG: 299600 6.0145 31.5643 15.2555 31.5643 -12.2997 57.3748 15.2555 57.3748 -23.1076 GPRESSAVG: 299600 6.44433 32.5669 14.8053 27.798 -13.5396 55.2987 16.2534 56.4457 -22.5279 TIMING: 299600 CPU: 934.132, 0.00311567/step Wall: 934.132, 0.00311567/step, 4.06802 hours remaining, 234.605469 MB of memory in use. ENERGY: 299600 4086.4829 20390.0577 14359.1212 257.3642 -202626.7353 2516.3893 0.0000 0.0000 52031.3825 -108985.9375 299.0251 -161017.3200 -108623.3408 298.7787 -112.2660 -85.0587 763512.6210 -9.7976 -9.8744 PRESSURE: 299800 -312.617 -31.6605 11.2699 -31.6615 -178.775 45.156 11.2692 45.1555 39.2205 GPRESSURE: 299800 -294.899 -98.1976 -64.9491 1.54701 -66.8528 7.04384 -98.0018 40.4242 8.47982 PRESSAVG: 299800 8.3702 -27.9333 14.2539 -27.9333 43.6048 -16.7644 14.2539 -16.7645 3.70995 GPRESSAVG: 299800 7.32022 -27.045 14.2775 -27.1468 45.3972 -16.5407 15.0378 -16.1269 3.34949 TIMING: 299800 CPU: 934.754, 0.00310626/step Wall: 934.754, 0.00310626/step, 4.05557 hours remaining, 234.605469 MB of memory in use. ENERGY: 299800 3961.5445 20406.7064 14495.8633 262.8933 -202651.6958 2573.1813 0.0000 0.0000 52236.9687 -108714.5382 300.2066 -160951.5069 -108342.0239 299.5079 -150.7238 -117.7574 763717.4814 18.5617 18.6890 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 300000 WRITING COORDINATES TO RESTART FILE AT STEP 300000 FINISHED WRITING RESTART COORDINATES The last position output (seq=300000) takes 0.037 seconds, 234.605 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 300000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=300000) takes 0.018 seconds, 234.605 MB of memory in use PRESSURE: 300000 266.194 -322.894 15.0417 -322.894 -95.6848 185.392 15.0408 185.391 -58.3113 GPRESSURE: 300000 300.545 -204.562 -40.6642 -175.994 -21.7559 110.705 -42.945 193.913 -75.0894 PRESSAVG: 300000 -29.1729 -65.712 49.2942 -65.712 -7.19748 7.93869 49.2941 7.93867 3.52381 GPRESSAVG: 300000 -26.793 -66.6273 47.8973 -65.0751 -9.06951 7.85248 46.8852 6.73582 3.11659 TIMING: 300000 CPU: 935.431, 0.00338624/step Wall: 935.431, 0.00338624/step, 4.42093 hours remaining, 234.605469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 300000 4045.1057 20437.4410 14412.6998 256.5198 -203178.9335 2819.1989 0.0000 0.0000 52234.7467 -108973.2214 300.1938 -161207.9682 -108620.4661 299.1694 37.3993 67.9000 761954.4615 -10.9488 -10.9153 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 300000 PRESSURE: 300200 135.199 38.7323 66.0568 38.7323 -288.694 78.9159 66.0567 78.9161 304.485 GPRESSURE: 300200 112.963 58.5928 37.05 97.2992 -192.259 123.331 136.825 12.5059 305.466 PRESSAVG: 300200 19.3986 -51.754 -6.89122 -51.7541 -61.2769 74.2181 -6.8912 74.2181 -9.60903 GPRESSAVG: 300200 18.0392 -53.3893 -5.66983 -51.0777 -59.8217 76.0487 -4.38475 73.9539 -9.6492 TIMING: 300200 CPU: 936.073, 0.00320963/step Wall: 936.073, 0.00320963/step, 4.19018 hours remaining, 234.605469 MB of memory in use. ENERGY: 300200 3989.6627 20566.1696 14459.3273 243.1472 -203051.5564 2738.4734 0.0000 0.0000 52134.1705 -108920.6057 299.6158 -161054.7762 -108564.9901 299.2441 50.3299 75.3901 762775.7835 -17.1624 -17.1439 LDB: ============= START OF LOAD BALANCING ============== 948.551 LDB: ============== END OF LOAD BALANCING =============== 948.552 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 948.553 LDB: ============= START OF LOAD BALANCING ============== 948.865 LDB: Largest compute 7052 load 0.029753 is 15.3% of average load 0.194880 LDB: Average compute 0.004383 is 2.2% of average load 0.194880 LDB: TIME 948.869 LOAD: AVG 0.19488 MAX 0.214028 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.125 MB LDB: TIME 948.869 LOAD: AVG 0.19488 MAX 0.214028 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.168 MB LDB: TIME 948.869 LOAD: AVG 0.19488 MAX 0.214028 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.168 MB LDB: ============== END OF LOAD BALANCING =============== 948.871 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 948.876 PRESSURE: 300400 -346.765 4.36669 -10.2955 4.36665 144.066 178.188 -10.2962 178.188 -135.69 GPRESSURE: 300400 -227.826 -168.086 49.531 -101.849 38.6125 129.497 -41.687 176.813 -73.8034 PRESSAVG: 300400 -1.58305 -1.14741 11.8065 -1.14747 -25.9093 51.6938 11.8065 51.6938 0.913755 GPRESSAVG: 300400 -1.18928 -1.25932 12.5555 -0.388021 -27.775 50.1868 10.7717 51.4975 1.76972 TIMING: 300400 CPU: 936.71, 0.00318685/step Wall: 936.71, 0.00318685/step, 4.16026 hours remaining, 234.808594 MB of memory in use. ENERGY: 300400 3999.0514 20362.1898 14512.1324 225.4369 -203075.7930 2791.7490 0.0000 0.0000 52218.9521 -108966.2815 300.1030 -161185.2335 -108602.7404 299.1629 -112.7964 -87.6721 764475.7177 -8.8595 -9.0649 PRESSURE: 300600 -199.22 92.1395 98.0969 92.1397 -54.9249 20.7686 98.0966 20.7677 -75.9951 GPRESSURE: 300600 -159.94 131.71 128.299 74.3689 34.6757 57.1207 4.84451 -48.2955 -110.467 PRESSAVG: 300600 43.1866 -31.3817 -29.4161 -31.3817 19.2335 16.6826 -29.4161 16.6826 -3.78905 GPRESSAVG: 300600 42.6508 -30.0573 -30.6338 -32.2542 20.0007 17.6627 -30.3306 16.4681 -3.73213 TIMING: 300600 CPU: 937.332, 0.00311091/step Wall: 937.332, 0.00311091/step, 4.06095 hours remaining, 235.011719 MB of memory in use. ENERGY: 300600 3978.7980 20441.6407 14519.5233 255.7424 -203132.9130 2933.7443 0.0000 0.0000 52026.0125 -108977.4518 298.9942 -161003.4643 -108620.8026 298.7985 -110.0468 -78.5771 765614.6258 19.5437 19.6398 PRESSURE: 300800 -231.657 95.7503 34.4866 95.7501 -291.1 -70.9829 34.4862 -70.9832 138.152 GPRESSURE: 300800 -199.9 108.155 -30.1774 68.0862 -213.658 -117.202 90.3545 -26.138 129.064 PRESSAVG: 300800 -53.4031 18.4525 19.5253 18.4525 80.5408 -4.9205 19.5254 -4.92049 3.98875 GPRESSAVG: 300800 -53.7543 17.4879 19.5941 18.3111 81.0379 -5.23803 18.9107 -3.20305 3.53669 TIMING: 300800 CPU: 937.96, 0.00313726/step Wall: 937.96, 0.00313726/step, 4.09517 hours remaining, 235.011719 MB of memory in use. ENERGY: 300800 3987.9031 20379.7547 14524.7057 244.5146 -203209.9834 2905.0955 0.0000 0.0000 51983.1950 -109184.8148 298.7481 -161168.0098 -108818.8886 298.4494 -128.2018 -94.8315 764159.3733 10.3755 10.2734 PRESSURE: 301000 -157.503 110.037 -119.024 110.036 -75.4046 119.665 -119.024 119.666 130.633 GPRESSURE: 301000 -104.182 54.1214 -80.7192 88.9853 -118.214 100.735 2.48599 118.659 211.441 PRESSAVG: 301000 -47.946 36.8253 -11.0848 36.8253 7.41788 -24.8041 -11.0848 -24.8042 6.94842 GPRESSAVG: 301000 -48.1192 38.668 -9.71073 37.2474 6.45643 -25.045 -9.37712 -23.4302 7.54198 TIMING: 301000 CPU: 938.583, 0.00311753/step Wall: 938.583, 0.00311753/step, 4.06924 hours remaining, 235.011719 MB of memory in use. ENERGY: 301000 4026.9153 20442.0240 14456.1630 240.9574 -202776.4263 2723.0803 0.0000 0.0000 51887.0815 -109000.2048 298.1958 -160887.2863 -108636.5547 298.4735 -34.0916 -3.6520 764117.5076 -11.1932 -11.3736 PRESSURE: 301200 -115.466 -126.776 -75.5006 -126.776 -130.135 22.9349 -75.5015 22.935 108.676 GPRESSURE: 301200 -46.8966 -130.246 -87.6574 -154.616 -66.8652 9.77767 -118.924 -48.3238 67.6426 PRESSAVG: 301200 18.0832 30.6868 -45.2482 30.6869 -16.9874 10.1515 -45.2482 10.1516 7.6988 GPRESSAVG: 301200 17.0148 30.1999 -45.633 30.629 -16.3154 9.84637 -44.4813 6.86672 7.66043 TIMING: 301200 CPU: 939.206, 0.00311233/step Wall: 939.206, 0.00311233/step, 4.06228 hours remaining, 235.011719 MB of memory in use. ENERGY: 301200 4014.8135 20580.1971 14469.9210 218.9320 -203043.1019 2576.3261 0.0000 0.0000 52262.4579 -108920.4543 300.3531 -161182.9121 -108553.7821 299.2647 -45.6418 -15.3731 762749.3459 2.9315 2.7866 PRESSURE: 301400 -123.209 -103.99 80.5929 -103.989 -66.0996 61.8692 80.5924 61.8691 -61.8414 GPRESSURE: 301400 -72.2143 -83.1403 10.7538 -117.766 62.4209 -47.5453 4.07772 128.739 -164.183 PRESSAVG: 301400 -62.2013 34.8406 -51.2852 34.8406 57.7124 2.55981 -51.2852 2.55981 -2.33295 GPRESSAVG: 301400 -61.4578 36.8122 -52.7648 32.6785 56.7192 3.56126 -51.6253 4.65082 -2.03002 TIMING: 301400 CPU: 939.828, 0.00311172/step Wall: 939.828, 0.00311172/step, 4.06131 hours remaining, 235.011719 MB of memory in use. ENERGY: 301400 4043.6731 20489.8242 14529.0526 246.4232 -202983.5528 2740.7652 0.0000 0.0000 52069.9549 -108863.8597 299.2467 -160933.8146 -108502.7493 299.3853 -83.7168 -57.9920 763304.0950 -2.2740 -2.2562 PRESSURE: 301600 -275.486 48.8078 108.503 48.8079 7.92561 51.2988 108.502 51.2988 14.8145 GPRESSURE: 301600 -186.266 -12.1222 186.327 45.0451 54.3644 43.6537 8.12045 -64.2896 -5.01128 PRESSAVG: 301600 -41.8662 -23.7467 -47.9454 -23.7466 23.6145 46.3902 -47.9455 46.3901 18.8977 GPRESSAVG: 301600 -41.7652 -26.4 -48.8261 -22.0377 24.0963 46.2011 -48.7785 46.5534 18.9308 TIMING: 301600 CPU: 940.45, 0.0031109/step Wall: 940.45, 0.0031109/step, 4.06006 hours remaining, 235.011719 MB of memory in use. ENERGY: 301600 3956.8115 20392.0190 14453.2724 257.0532 -203524.4069 3095.8260 0.0000 0.0000 52319.2074 -109050.2175 300.6792 -161369.4249 -108687.5960 299.0391 -84.2485 -45.6375 763606.3873 0.2153 0.4207 PRESSURE: 301800 75.7004 -43.2867 -278.372 -43.2855 12.9636 -56.3489 -278.372 -56.3487 86.6288 GPRESSURE: 301800 5.1522 -75.1327 -266.642 -11.6173 101.208 -40.4139 -261.505 -28.82 170.682 PRESSAVG: 301800 -44.6363 6.07106 -2.57621 6.07104 22.5278 -13.9665 -2.57623 -13.9665 -5.55323 GPRESSAVG: 301800 -44.6141 6.65373 -1.2042 7.35896 22.1912 -15.0888 -3.67222 -14.8992 -4.99926 TIMING: 301800 CPU: 941.069, 0.0030907/step Wall: 941.069, 0.0030907/step, 4.03354 hours remaining, 235.011719 MB of memory in use. ENERGY: 301800 3943.7924 20414.0225 14465.3994 250.1724 -203088.1759 2726.0078 0.0000 0.0000 52175.5711 -109113.2102 299.8537 -161288.7813 -108740.6542 299.0358 58.4310 92.3475 763941.0891 -9.2206 -9.1407 PRESSURE: 302000 -9.23817 -55.3723 -25.4952 -55.3717 225.521 -94.7893 -25.4956 -94.7896 112.199 GPRESSURE: 302000 -12.803 83.6898 -46.5901 56.0072 286.196 -189.81 43.4594 -78.0657 153.383 PRESSAVG: 302000 -31.5616 -32.7424 -10.2986 -32.7423 18.4966 -34.0538 -10.2986 -34.0538 -9.39832 GPRESSAVG: 302000 -31.9398 -32.7625 -10.6757 -33.0121 19.4838 -35.3763 -9.74755 -33.7137 -9.96944 TIMING: 302000 CPU: 941.689, 0.00310107/step Wall: 941.689, 0.00310107/step, 4.04689 hours remaining, 235.011719 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: 302000 3985.2863 20461.0266 14504.2767 254.7578 -203514.0630 3158.3497 0.0000 0.0000 52033.3369 -109117.0289 299.0363 -161150.3658 -108754.5764 298.8981 109.4939 142.2584 762907.9199 -7.4878 -7.4752 PRESSURE: 302200 -220.748 38.8107 179.221 38.8108 83.2271 -127.266 179.22 -127.266 -34.7756 GPRESSURE: 302200 -185.623 44.1287 104.706 25.4087 141.938 -116.74 31.9545 -236.884 -54.0339 PRESSAVG: 302200 -56.1087 -47.6273 12.1829 -47.6272 45.4078 -7.37102 12.1829 -7.37108 -1.39779 GPRESSAVG: 302200 -54.5877 -46.5689 12.4444 -48.7885 43.9549 -4.11783 11.9747 -7.12071 -1.40893 TIMING: 302200 CPU: 942.306, 0.00308741/step Wall: 942.306, 0.0030874/step, 4.02889 hours remaining, 235.011719 MB of memory in use. ENERGY: 302200 4065.3391 20396.4985 14478.9810 252.0201 -203388.5228 2868.9003 0.0000 0.0000 52251.7237 -109075.0601 300.2914 -161326.7838 -108706.0497 299.2159 -57.4322 -32.5733 764808.8841 -4.0329 -4.0139 PRESSURE: 302400 59.2644 -97.8764 -7.62149 -97.8754 -71.2655 144.841 -7.62083 144.841 189.537 GPRESSURE: 302400 139.718 -86.2736 -167.344 -122.209 -26.126 264.865 86.205 78.0992 136.418 PRESSAVG: 302400 -30.3338 -8.8322 3.42022 -8.83218 51.8367 -29.9946 3.42027 -29.9946 -3.67033 GPRESSAVG: 302400 -31.16 -11.6095 3.22742 -8.96634 52.0555 -30.3135 3.6686 -29.8519 -2.85848 TIMING: 302400 CPU: 942.925, 0.00309523/step Wall: 942.925, 0.00309523/step, 4.03893 hours remaining, 235.011719 MB of memory in use. ENERGY: 302400 4016.8903 20626.4142 14498.9044 234.2770 -202799.9237 2421.9693 0.0000 0.0000 51944.0398 -109057.4287 298.5231 -161001.4685 -108690.4156 299.6450 59.1788 83.3368 763948.5782 5.9442 6.0123 PRESSURE: 302600 2.75622 -63.672 -242.082 -63.6724 -131.223 -170.699 -242.082 -170.699 144.705 GPRESSURE: 302600 -49.0231 -39.379 -180.017 43.892 -46.794 -168.117 -242.253 -179.619 184.064 PRESSAVG: 302600 -1.34981 -32.155 -39.4807 -32.155 15.5391 -12.1748 -39.4807 -12.1747 -10.3501 GPRESSAVG: 302600 0.0352852 -30.0906 -38.7431 -29.4867 13.4661 -12.4926 -38.9686 -13.4542 -9.94316 TIMING: 302600 CPU: 943.544, 0.00309353/step Wall: 943.544, 0.00309353/step, 4.03654 hours remaining, 235.011719 MB of memory in use. ENERGY: 302600 4029.5488 20666.7992 14524.3183 242.5182 -203459.1218 2745.4159 0.0000 0.0000 52226.4041 -109024.1172 300.1459 -161250.5213 -108666.3502 298.8943 5.4127 29.4158 762111.0792 1.2797 1.1861 PRESSURE: 302800 -134.419 -53.7449 84.9408 -53.7444 108.975 109.451 84.941 109.451 -244.61 GPRESSURE: 302800 -91.0106 -93.1738 123.064 69.9873 39.0131 108.939 22.0174 95.3807 -122.723 PRESSAVG: 302800 24.3981 0.824597 -32.8248 0.824648 -10.5327 -10.2854 -32.8249 -10.2854 2.18071 GPRESSAVG: 302800 24.0558 2.14854 -34.5719 -0.421423 -10.4705 -11.2507 -32.7027 -9.96427 2.41207 TIMING: 302800 CPU: 944.165, 0.00310351/step Wall: 944.165, 0.00310351/step, 4.04939 hours remaining, 235.269531 MB of memory in use. ENERGY: 302800 3969.3144 20350.3229 14508.0670 229.9111 -203390.1069 2880.1738 0.0000 0.0000 52355.0533 -109097.2644 300.8852 -161452.3176 -108720.6021 299.7025 -90.0176 -58.2402 763379.4671 5.3487 5.3324 PRESSURE: 303000 -322.635 127.215 14.5912 127.215 18.6355 -100.25 14.5906 -100.249 -478.937 GPRESSURE: 303000 -261.861 98.6308 49.9949 148.746 -30.954 -51.7557 -69.4827 8.37243 -405.226 PRESSAVG: 303000 10.0629 -24.9762 17.947 -24.9762 -44.6888 25.2061 17.947 25.2061 -4.54606 GPRESSAVG: 303000 9.21777 -26.1307 19.2535 -24.2733 -43.0332 27.0151 16.6231 26.2926 -5.92402 TIMING: 303000 CPU: 944.783, 0.00309413/step Wall: 944.783, 0.00309413/step, 4.03699 hours remaining, 235.269531 MB of memory in use. ENERGY: 303000 4088.1162 20521.9784 14473.0115 245.4122 -203088.6564 2682.4096 0.0000 0.0000 52088.0943 -108989.6342 299.3510 -161077.7285 -108624.6827 298.8751 -260.9787 -232.6801 763635.7480 -13.0573 -13.2465 PRESSURE: 303200 126.202 -254.905 188.745 -254.905 -65.4489 187.734 188.745 187.734 130.814 GPRESSURE: 303200 215.597 -185.02 159.839 -147.419 -26.7666 235.151 25.7825 149.418 94.2212 PRESSAVG: 303200 44.0766 -34.2795 -5.51028 -34.2795 15.2049 50.1988 -5.51034 50.1989 29.7601 GPRESSAVG: 303200 43.4955 -31.1725 -5.24346 -36.4024 15.6108 49.0689 -6.25517 48.9322 29.8386 TIMING: 303200 CPU: 945.403, 0.00309865/step Wall: 945.403, 0.00309865/step, 4.04271 hours remaining, 235.269531 MB of memory in use. ENERGY: 303200 4038.1854 20495.3844 14499.7367 220.7245 -203430.6877 2900.4716 0.0000 0.0000 52094.5887 -109181.5963 299.3883 -161276.1851 -108822.6544 299.0967 63.8557 94.3506 761652.5522 29.6805 29.6483 PRESSURE: 303400 -296.877 28.7382 -181.023 28.7385 -101.966 -35.8606 -181.024 -35.8611 98.5056 GPRESSURE: 303400 -318.338 -18.1033 -112.573 22.4949 -94.7363 57.9874 -185.598 -177.592 183.892 PRESSAVG: 303400 45.3197 -26.5305 -20.225 -26.5304 -15.5082 -13.6819 -20.225 -13.6818 7.85331 GPRESSAVG: 303400 46.2842 -29.398 -20.7263 -25.3345 -17.3337 -14.9039 -19.5021 -14.2224 8.81643 TIMING: 303400 CPU: 946.024, 0.00310486/step Wall: 946.024, 0.00310486/step, 4.05064 hours remaining, 235.269531 MB of memory in use. ENERGY: 303400 3922.9743 20481.0803 14503.8447 259.1625 -202656.0825 2582.1831 0.0000 0.0000 51853.7426 -109053.0950 298.0042 -160906.8376 -108695.5055 298.1906 -100.1123 -76.3941 763088.5901 12.5550 12.5890 PRESSURE: 303600 103.232 145.245 -267.041 145.244 167.405 179.833 -267.04 179.833 -215.547 GPRESSURE: 303600 117.423 201.083 -232.5 203.77 153.729 194.426 -319.349 213.211 -154.959 PRESSAVG: 303600 12.3042 -5.14961 28.7437 -5.14957 20.5998 13.2447 28.7437 13.2447 15.7609 GPRESSAVG: 303600 12.2072 -5.03674 28.8556 -6.45128 21.9279 14.3915 30.6662 12.947 14.6264 TIMING: 303600 CPU: 946.648, 0.00311778/step Wall: 946.648, 0.00311777/step, 4.06731 hours remaining, 235.269531 MB of memory in use. ENERGY: 303600 3941.8915 20473.2463 14451.5341 246.8671 -202875.0129 2874.5668 0.0000 0.0000 51937.0119 -108949.8953 298.4827 -160886.9073 -108592.6997 298.8062 18.3636 38.7311 762368.9341 16.2217 16.2538 PRESSURE: 303800 15.6058 -78.9202 319.406 -78.9203 118.603 145.841 319.405 145.841 -266.338 GPRESSURE: 303800 67.027 -30.3765 310.271 -57.4164 144.597 112.972 281.525 158.348 -231.834 PRESSAVG: 303800 17.1084 -2.93798 -37.4787 -2.93802 -18.799 -69.8073 -37.4787 -69.8072 -26.915 GPRESSAVG: 303800 18.407 -1.09301 -38.069 -3.07478 -21.0473 -72.1761 -39.1417 -68.496 -26.0919 TIMING: 303800 CPU: 947.27, 0.00311159/step Wall: 947.27, 0.00311159/step, 4.05907 hours remaining, 235.269531 MB of memory in use. ENERGY: 303800 3912.7536 20465.2800 14436.1997 240.3384 -202690.9047 2560.6292 0.0000 0.0000 51855.0830 -109220.6207 298.0119 -161075.7037 -108843.9899 298.5402 -44.0432 -6.7365 764246.1838 -9.5352 -9.5774 PRESSURE: 304000 447.032 -36.9998 -77.4729 -37 -51.6277 -325.274 -77.4729 -325.275 -167.981 GPRESSURE: 304000 489.943 -54.4872 -60.4033 -52.3117 -82.9537 -232.567 -77.8077 -262.112 -94.3234 PRESSAVG: 304000 7.58435 -7.92871 -7.80465 -7.9287 -18.1136 -10.114 -7.80469 -10.114 10.3855 GPRESSAVG: 304000 6.53555 -8.95542 -7.33449 -7.11482 -16.1665 -8.68659 -7.03239 -10.3918 9.22226 TIMING: 304000 CPU: 947.891, 0.0031056/step Wall: 947.891, 0.0031056/step, 4.05108 hours remaining, 235.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 304000 4043.9701 20566.5562 14451.8066 245.8600 -202556.1699 2443.7931 0.0000 0.0000 51817.9407 -108986.2432 297.7984 -160804.1839 -108628.9224 298.1352 75.8076 104.2221 764271.4473 -0.0479 -0.1362 PRESSURE: 304200 -256.262 74.824 -52.4715 74.8237 -17.0496 -83.7075 -52.4718 -83.7069 -133.457 GPRESSURE: 304200 -243.218 105.921 -67.1238 10.5445 20.416 -24.009 -126.446 -18.1757 -112.976 PRESSAVG: 304200 22.0987 -6.13678 28.1175 -6.13677 20.0391 -65.5577 28.1175 -65.5576 18.447 GPRESSAVG: 304200 20.6367 -8.82313 27.6579 -5.07423 19.9756 -64.7553 29.1208 -65.0539 19.6346 TIMING: 304200 CPU: 948.511, 0.00309907/step Wall: 948.511, 0.00309907/step, 4.04239 hours remaining, 235.269531 MB of memory in use. ENERGY: 304200 3995.6836 20549.9674 14445.1358 262.2861 -202939.2535 2747.9255 0.0000 0.0000 51925.9837 -109012.2715 298.4193 -160938.2552 -108651.8708 298.8213 -135.5893 -111.9259 763882.8061 20.1949 20.0823 LDB: ============= START OF LOAD BALANCING ============== 960.988 LDB: ============== END OF LOAD BALANCING =============== 960.988 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 960.99 LDB: ============= START OF LOAD BALANCING ============== 961.302 LDB: Largest compute 7052 load 0.029996 is 15.4% of average load 0.194816 LDB: Average compute 0.004378 is 2.2% of average load 0.194816 LDB: TIME 961.306 LOAD: AVG 0.194816 MAX 0.215665 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.297 MB LDB: TIME 961.306 LOAD: AVG 0.194816 MAX 0.215665 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.5 MB LDB: TIME 961.306 LOAD: AVG 0.194816 MAX 0.215665 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.5 MB LDB: ============== END OF LOAD BALANCING =============== 961.308 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 961.313 PRESSURE: 304400 100.995 -128.342 -107.997 -128.343 -14.2028 -117.004 -107.996 -117.005 45.2638 GPRESSURE: 304400 158.668 -208.456 -170.655 -118.195 -3.07751 -202.019 10.5995 -113.111 62.4254 PRESSAVG: 304400 -20.21 7.75561 12.686 7.75559 31.9981 -20.6799 12.6861 -20.6799 -12.2885 GPRESSAVG: 304400 -19.1221 10.3717 11.9753 5.2614 31.642 -21.0559 10.8605 -22.417 -13.2708 TIMING: 304400 CPU: 949.147, 0.00318133/step Wall: 949.147, 0.00318133/step, 4.14951 hours remaining, 235.062500 MB of memory in use. ENERGY: 304400 4004.0986 20416.1991 14400.3089 244.6741 -202964.3778 2775.4961 0.0000 0.0000 52075.6778 -109047.9232 299.2796 -161123.6010 -108685.1826 298.6526 44.0187 72.6721 764267.9806 -0.1668 -0.2503 PRESSURE: 304600 -367.597 269.008 166.801 269.008 -275.71 -293.828 166.8 -293.828 -175.99 GPRESSURE: 304600 -322.806 181.638 170.776 244.182 -235.197 -258.19 181.947 -302.048 -167.145 PRESSAVG: 304600 18.7148 -3.72264 67.7343 -3.72262 -68.9082 -44.2323 67.7343 -44.2324 13.2885 GPRESSAVG: 304600 17.775 -4.15423 70.354 -2.80085 -68.4858 -43.4273 66.9841 -42.9422 13.7673 TIMING: 304600 CPU: 949.775, 0.00313883/step Wall: 949.775, 0.00313883/step, 4.09391 hours remaining, 235.265625 MB of memory in use. ENERGY: 304600 4008.2492 20480.0336 14384.4991 237.1680 -202566.9320 2397.1980 0.0000 0.0000 51957.7673 -109102.0168 298.6020 -161059.7841 -108744.5371 299.1302 -273.0989 -241.7161 764345.7898 -12.3016 -12.3145 PRESSURE: 304800 80.6308 -105.428 -13.3729 -105.427 20.4491 -43.0333 -13.374 -43.0335 305.857 GPRESSURE: 304800 227.248 -136.082 -25.5792 -45.2319 12.9783 -81.835 1.78992 -163.85 252.44 PRESSAVG: 304800 14.974 -29.8309 66.3778 -29.8308 26.1676 -40.2624 66.3778 -40.2624 9.07715 GPRESSAVG: 304800 16.1059 -29.5618 63.1777 -29.68 24.8205 -40.4431 71.2517 -40.5125 9.76374 TIMING: 304800 CPU: 950.399, 0.003119/step Wall: 950.399, 0.003119/step, 4.06787 hours remaining, 235.265625 MB of memory in use. ENERGY: 304800 3939.2657 20607.1480 14488.2052 238.9806 -203511.4939 3055.6303 0.0000 0.0000 51860.7658 -109321.4983 298.0445 -161182.2641 -108968.4283 298.7063 135.6458 164.2220 761844.4241 16.7396 16.8967 PRESSURE: 305000 -460.479 -113.243 3.70783 -113.243 31.9014 -355.392 3.7087 -355.392 268.038 GPRESSURE: 305000 -503.485 -131.607 -70.8817 -59.9671 137.565 -438.601 -20.4517 -259.798 260.556 PRESSAVG: 305000 17.9748 -64.2641 36.1886 -64.2641 -8.50371 -21.2086 36.1886 -21.2086 2.77229 GPRESSAVG: 305000 17.6424 -65.0623 35.6491 -62.0785 -6.69823 -24.8221 33.4275 -19.4693 0.802811 TIMING: 305000 CPU: 951.023, 0.00311998/step Wall: 951.023, 0.00311998/step, 4.06898 hours remaining, 235.265625 MB of memory in use. ENERGY: 305000 3985.0458 20527.5978 14407.0390 218.8271 -203050.9854 2540.5541 0.0000 0.0000 51959.4155 -109412.5061 298.6115 -161371.9216 -109044.1680 298.3309 -53.5133 -35.1210 761701.8288 4.0811 3.9156 PRESSURE: 305200 -83.6477 105.583 76.122 105.584 -197.915 168.451 76.1212 168.452 -326.877 GPRESSURE: 305200 -26.4457 35.8553 40.9686 177.726 -166.127 143.822 20.8279 210.087 -315.49 PRESSAVG: 305200 10.4155 -20.0145 35.6276 -20.0145 -30.9279 27.1741 35.6277 27.174 -1.89403 GPRESSAVG: 305200 11.0204 -19.6542 35.9935 -19.2102 -32.5599 27.2631 35.3655 26.2809 -0.500994 TIMING: 305200 CPU: 951.645, 0.00311164/step Wall: 951.645, 0.00311164/step, 4.05793 hours remaining, 235.265625 MB of memory in use. ENERGY: 305200 4001.2273 20511.8722 14395.0739 231.6430 -202809.2063 2522.3590 0.0000 0.0000 51667.9395 -109479.0914 296.9364 -161147.0309 -109118.0852 298.2652 -202.8133 -169.3542 761749.2525 -7.4688 -7.3468 PRESSURE: 305400 -484.315 -12.1107 -13.914 -12.1108 128.49 9.89703 -13.9141 9.8963 -43.1132 GPRESSURE: 305400 -406.844 5.55266 79.1942 60.9394 134.278 59.7809 14.8081 46.1144 -45.7924 PRESSAVG: 305400 -7.20142 43.2503 -22.8359 43.2503 31.7277 33.1872 -22.836 33.1873 0.955855 GPRESSAVG: 305400 -8.62574 44.8602 -21.2872 41.6174 32.8094 34.0406 -23.3026 34.4045 1.95946 TIMING: 305400 CPU: 952.267, 0.003107/step Wall: 952.267, 0.003107/step, 4.0517 hours remaining, 235.265625 MB of memory in use. ENERGY: 305400 3951.7100 20733.9084 14406.2382 254.4708 -203356.3266 2666.9122 0.0000 0.0000 52100.6680 -109242.4190 299.4233 -161343.0870 -108876.8926 298.3315 -132.9795 -106.1194 762407.1646 8.4940 8.7144 PRESSURE: 305600 72.7879 -192.477 164.815 -192.477 68.1381 -56.6001 164.814 -56.6022 168.691 GPRESSURE: 305600 176.141 -99.8096 204.235 -206.53 7.6417 -41.3762 139.897 -68.2986 194.945 PRESSAVG: 305600 -36.5572 -58.9239 19.9267 -58.9239 15.5006 -51.1692 19.9267 -51.1693 -5.83151 GPRESSAVG: 305600 -35.8097 -57.3308 19.7078 -60.5111 13.5503 -50.3943 21.2325 -53.7622 -5.51183 TIMING: 305600 CPU: 952.887, 0.00310296/step Wall: 952.887, 0.00310296/step, 4.04626 hours remaining, 235.265625 MB of memory in use. ENERGY: 305600 4069.3574 20506.7167 14434.1892 249.4574 -203283.8144 2996.7674 0.0000 0.0000 51924.7413 -109102.5850 298.4122 -161027.3263 -108744.6016 298.9524 103.2057 126.2426 762054.1945 -8.9627 -9.2571 PRESSURE: 305800 280.544 26.4775 -39.8241 26.4778 -17.4227 -131.059 -39.824 -131.059 -68.2764 GPRESSURE: 305800 294.986 59.6881 -71.3764 -110.628 10.6789 -132.173 -135.625 54.6413 -22.4973 PRESSAVG: 305800 5.46359 -60.1976 -19.506 -60.1975 -19.5364 -35.193 -19.506 -35.1929 4.95852 GPRESSAVG: 305800 6.04849 -62.591 -19.7648 -59.2647 -19.5684 -34.4319 -20.1986 -33.8806 4.55879 TIMING: 305800 CPU: 953.507, 0.00309706/step Wall: 953.507, 0.00309706/step, 4.0384 hours remaining, 235.265625 MB of memory in use. ENERGY: 305800 3966.7702 20466.8788 14485.4425 268.2930 -203409.2222 2950.4178 0.0000 0.0000 51935.3341 -109336.0859 298.4731 -161271.4200 -108964.5968 299.0536 64.9484 94.3892 763139.4121 -3.0381 -2.9871 PRESSURE: 306000 242.372 207.737 -182.208 207.737 -39.1605 12.0392 -182.208 12.0392 169.418 GPRESSURE: 306000 260.193 205.081 -141.986 154.105 -44.8913 3.46353 -241.735 50.9009 227.356 PRESSAVG: 306000 -28.309 16.5175 -46.2193 16.5176 33.241 31.2394 -46.2193 31.2393 9.74009 GPRESSAVG: 306000 -29.2399 15.703 -44.9609 18.8523 34.6871 30.5793 -46.4074 32.2953 9.04175 TIMING: 306000 CPU: 954.125, 0.00309056/step Wall: 954.125, 0.00309056/step, 4.02975 hours remaining, 235.265625 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: 306000 4080.6729 20525.4840 14403.0135 249.7300 -203698.2288 3113.1182 0.0000 0.0000 51972.0272 -109354.1830 298.6840 -161326.2103 -108995.2419 298.4178 124.2099 147.5529 761473.0125 4.8907 4.8296 PRESSURE: 306200 163.85 86.4329 4.71009 86.4324 -364.687 -203.736 4.71009 -203.737 -29.1618 GPRESSURE: 306200 156.166 19.9737 9.12965 22.7183 -251.204 -353.786 16.5729 -35.4066 -62.3617 PRESSAVG: 306200 -13.0912 6.49235 -6.90833 6.49239 25.4209 8.10608 -6.90833 8.10608 10.6028 GPRESSAVG: 306200 -12.2251 7.34246 -7.64621 5.71395 24.1617 7.90802 -6.55432 7.01398 11.4537 TIMING: 306200 CPU: 954.746, 0.00310432/step Wall: 954.746, 0.00310432/step, 4.04752 hours remaining, 235.265625 MB of memory in use. ENERGY: 306200 4075.9495 20375.3124 14419.8032 229.0212 -203333.8773 2649.7377 0.0000 0.0000 52199.2665 -109384.7868 299.9899 -161584.0533 -109013.6865 298.8371 -76.6661 -52.4666 762924.9444 7.6442 7.7968 PRESSURE: 306400 -121.042 199.88 -162.769 199.879 92.5323 94.4533 -162.769 94.4543 -253.992 GPRESSURE: 306400 17.3682 315.243 -144.934 177.543 63.1249 142.986 -138.864 35.6602 -283.014 PRESSAVG: 306400 -9.94155 38.9518 24.3017 38.9517 53.5537 -3.50632 24.3017 -3.50631 1.16 GPRESSAVG: 306400 -10.3109 42.015 23.4808 37.4732 53.9585 -2.77036 24.0689 -2.3926 0.815814 TIMING: 306400 CPU: 955.367, 0.00310886/step Wall: 955.367, 0.00310886/step, 4.05326 hours remaining, 235.265625 MB of memory in use. ENERGY: 306400 4056.3142 20691.2375 14424.8906 245.3380 -203400.4880 2844.3001 0.0000 0.0000 51847.2699 -109291.1377 297.9670 -161138.4075 -108934.7632 298.8895 -94.1672 -67.5071 761513.3958 14.9240 14.8211 PRESSURE: 306600 249.065 -128.486 -82.5195 -128.485 -251.144 -97.3741 -82.52 -97.3754 -352.097 GPRESSURE: 306600 246.544 -134.072 -99.1332 -30.5136 -210.609 -114.313 -187.111 -165.426 -306.597 PRESSAVG: 306600 36.5967 18.5897 2.98559 18.5897 -43.1316 44.8913 2.98558 44.8914 -1.59746 GPRESSAVG: 306600 35.5565 17.9734 4.81707 17.8324 -42.6918 45.018 2.25924 40.7531 -0.914607 TIMING: 306600 CPU: 955.991, 0.00311712/step Wall: 955.991, 0.00311713/step, 4.06387 hours remaining, 235.265625 MB of memory in use. ENERGY: 306600 3966.7379 20511.6622 14492.8515 244.0457 -203262.5563 2850.6578 0.0000 0.0000 52065.1933 -109131.4079 299.2194 -161196.6012 -108771.9218 298.6944 -118.0587 -90.2207 764350.3548 -2.7108 -2.6833 PRESSURE: 306800 155.736 56.5607 -182.736 56.562 169.946 39.744 -182.736 39.745 -308.9 GPRESSURE: 306800 209.786 -42.445 -152.788 -69.0737 161.945 -0.859038 -45.6435 84.3698 -258.685 PRESSAVG: 306800 87.1838 0.530908 -27.8466 0.53086 -41.1469 36.1538 -27.8466 36.1538 12.8121 GPRESSAVG: 306800 88.1414 -2.47336 -28.1964 1.43096 -41.7382 36.2754 -25.9775 40.5381 12.5726 TIMING: 306800 CPU: 956.613, 0.00311224/step Wall: 956.613, 0.00311224/step, 4.05732 hours remaining, 235.265625 MB of memory in use. ENERGY: 306800 4023.1224 20403.5363 14511.3506 232.5144 -203033.6609 2823.9951 0.0000 0.0000 51885.7870 -109153.3553 298.1883 -161039.1422 -108789.8426 298.8202 5.5943 37.6821 764773.6465 19.6163 19.6586 PRESSURE: 307000 69.989 -92.5105 127.595 -92.5113 -45.5931 279.426 127.595 279.425 -412.604 GPRESSURE: 307000 106.926 -19.3562 104.687 1.20433 -78.4958 255.303 36.8414 392.406 -323.438 PRESSAVG: 307000 22.0858 -12.8118 -7.86949 -12.8118 -29.208 62.206 -7.86953 62.206 -1.19054 GPRESSAVG: 307000 22.1483 -10.6081 -8.45242 -12.8021 -28.7652 62.3414 -7.99774 60.4729 -1.84258 TIMING: 307000 CPU: 957.236, 0.00311558/step Wall: 957.236, 0.00311558/step, 4.06151 hours remaining, 235.265625 MB of memory in use. ENERGY: 307000 4013.0626 20541.6930 14470.3107 251.8572 -202826.3812 2510.6798 0.0000 0.0000 51955.0583 -109083.7196 298.5864 -161038.7779 -108730.7051 299.0910 -129.4028 -98.3360 763069.2469 -2.7709 -2.8198 PRESSURE: 307200 -86.8241 59.2578 12.5242 59.258 -164.139 111.741 12.5246 111.74 -143.84 GPRESSURE: 307200 -30.9301 8.32625 -10.6771 98.7719 -217.628 85.9456 -52.7533 175.907 -70.1405 PRESSAVG: 307200 48.5525 24.2497 -18.5074 24.2497 -33.6757 66.8129 -18.5074 66.8129 -21.5678 GPRESSAVG: 307200 49.2163 24.4965 -17.8197 23.826 -33.5155 67.0323 -21.5606 66.4409 -21.6513 TIMING: 307200 CPU: 957.858, 0.00310615/step Wall: 957.858, 0.00310615/step, 4.04903 hours remaining, 235.265625 MB of memory in use. ENERGY: 307200 4078.2436 20586.6933 14492.2902 236.8481 -203129.2353 2801.4467 0.0000 0.0000 51918.0077 -109015.7056 298.3735 -160933.7133 -108648.3167 299.2561 -131.6011 -106.2329 762881.4913 -2.2303 -1.9835 PRESSURE: 307400 -294.09 -20.2691 92.5481 -20.2698 -422.745 36.5829 92.5484 36.5829 -154.097 GPRESSURE: 307400 -286.084 56.2902 73.6226 43.3097 -321.261 78.5751 95.658 -45.2342 -183.098 PRESSAVG: 307400 48.0925 20.358 37.5149 20.358 -31.4571 37.0263 37.5148 37.0263 -6.57957 GPRESSAVG: 307400 48.6188 19.8012 36.1497 20.878 -32.4822 36.2043 37.9216 36.512 -6.10468 TIMING: 307400 CPU: 958.482, 0.00312053/step Wall: 958.482, 0.00312053/step, 4.06761 hours remaining, 235.265625 MB of memory in use. ENERGY: 307400 3944.4655 20498.1842 14465.4773 246.7944 -203191.2880 2597.9219 0.0000 0.0000 52233.4322 -109205.0126 300.1863 -161438.4448 -108827.9317 298.4980 -290.3107 -263.4810 763688.5058 3.3519 3.3440 PRESSURE: 307600 -196.613 -120.331 80.2802 -120.331 -246.022 464.909 80.2805 464.911 -100.127 GPRESSURE: 307600 -155.661 -54.7547 82.5904 -173.349 -234.545 411.89 -17.0372 330.647 -78.9945 PRESSAVG: 307600 -6.89787 -5.69448 25.073 -5.69457 -3.39801 21.0229 25.073 21.0229 -30.2846 GPRESSAVG: 307600 -7.19456 -5.07892 26.1447 -6.22017 -4.39971 21.0044 26.2063 23.1292 -29.4297 TIMING: 307600 CPU: 959.104, 0.00311403/step Wall: 959.104, 0.00311403/step, 4.05897 hours remaining, 235.265625 MB of memory in use. ENERGY: 307600 4017.0067 20678.9103 14539.3175 240.2917 -203154.0465 2652.7998 0.0000 0.0000 51931.0968 -109094.6237 298.4487 -161025.7205 -108739.5498 298.6843 -180.9207 -156.4001 763434.6591 -13.5268 -13.6747 PRESSURE: 307800 207.009 -56.9742 68.3269 -56.9735 179.22 144.783 68.3264 144.783 429.801 GPRESSURE: 307800 147.214 -32.7229 29.8316 22.5337 263.981 161.705 20.0814 87.9523 463.333 PRESSAVG: 307800 6.93276 4.08041 17.2398 4.08045 -29.2883 27.1116 17.2398 27.1116 1.24622 GPRESSAVG: 307800 7.13942 2.71676 14.3293 6.57351 -29.0989 27.1265 18.7234 23.6779 0.550023 TIMING: 307800 CPU: 959.726, 0.00310873/step Wall: 959.726, 0.00310873/step, 4.05188 hours remaining, 235.265625 MB of memory in use. ENERGY: 307800 3915.0080 20506.2006 14473.7046 228.4633 -203256.8674 2923.2083 0.0000 0.0000 52411.9943 -108798.2883 301.2125 -161210.2826 -108440.7270 299.7401 272.0103 291.5092 762209.4161 -7.0364 -7.1365 PRESSURE: 308000 -54.872 46.3387 -29.6525 46.3385 93.3819 58.5846 -29.6521 58.5847 -416.65 GPRESSURE: 308000 69.3578 -39.5511 -54.8302 97.2948 21.0284 163.687 -221.869 202.292 -370.128 PRESSAVG: 308000 3.4656 3.84047 -10.0156 3.84047 -0.389412 -19.5945 -10.0156 -19.5945 28.2929 GPRESSAVG: 308000 3.58274 5.81566 -10.0901 2.64907 -0.869651 -18.7413 -11.1801 -18.6729 28.1606 TIMING: 308000 CPU: 960.351, 0.00312167/step Wall: 960.351, 0.00312167/step, 4.06858 hours remaining, 235.265625 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: 308000 4191.4225 20383.8474 14471.5664 254.6868 -203089.2033 2996.8492 0.0000 0.0000 52115.4821 -108675.3489 299.5084 -160790.8310 -108320.5015 299.9240 -126.0467 -93.2472 764064.9319 10.4563 10.2912 PRESSURE: 308200 176.522 -44.252 -162.624 -44.2536 -3.54293 -28.2744 -162.623 -28.2752 205.643 GPRESSURE: 308200 284.749 -117.49 -82.2738 6.81734 -2.34753 7.72456 -30.6483 -150.195 181.182 PRESSAVG: 308200 -28.8783 17.8405 -23.6408 17.8405 30.6895 -32.3262 -23.6408 -32.3262 -34.6189 GPRESSAVG: 308200 -29.3024 16.7017 -20.5087 16.9227 31.679 -32.8076 -25.0258 -31.6646 -35.3052 TIMING: 308200 CPU: 960.971, 0.00310267/step Wall: 960.971, 0.00310267/step, 4.04364 hours remaining, 235.265625 MB of memory in use. ENERGY: 308200 4040.9172 20567.4535 14482.0298 266.0199 -203370.9443 3192.8893 0.0000 0.0000 52134.5948 -108687.0398 299.6182 -160821.6346 -108336.3150 299.9059 126.2073 154.5280 763261.6019 -10.9359 -10.9762 LDB: ============= START OF LOAD BALANCING ============== 973.447 LDB: ============== END OF LOAD BALANCING =============== 973.447 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 973.449 LDB: ============= START OF LOAD BALANCING ============== 973.759 LDB: Largest compute 7052 load 0.030455 is 15.6% of average load 0.194774 LDB: Average compute 0.004402 is 2.3% of average load 0.194774 LDB: TIME 973.763 LOAD: AVG 0.194774 MAX 0.215582 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.527 MB LDB: TIME 973.763 LOAD: AVG 0.194774 MAX 0.215582 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.73 MB LDB: TIME 973.763 LOAD: AVG 0.194774 MAX 0.215582 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.73 MB LDB: ============== END OF LOAD BALANCING =============== 973.765 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 973.77 PRESSURE: 308400 -262.388 -125.35 4.63885 -125.35 380.265 51.3843 4.63853 51.3856 59.9852 GPRESSURE: 308400 -158.078 -157.228 -48.5579 -39.5044 352.482 -24.3228 -27.7204 75.801 51.568 PRESSAVG: 308400 -25.3248 -49.3588 11.2058 -49.3588 15.8148 14.2394 11.2058 14.2394 9.44465 GPRESSAVG: 308400 -25.4332 -49.8868 10.3035 -48.0174 15.1414 14.9581 14.5076 12.3778 10.3314 TIMING: 308400 CPU: 961.604, 0.00316655/step Wall: 961.604, 0.00316655/step, 4.12672 hours remaining, 235.062500 MB of memory in use. ENERGY: 308400 3920.0713 20673.7155 14421.8809 237.3335 -203463.2075 3063.1563 0.0000 0.0000 52264.2954 -108882.7545 300.3636 -161147.0499 -108515.4875 299.6345 59.2873 81.9907 764032.9618 -0.0218 0.0132 PRESSURE: 308600 72.3892 -126.589 -108.356 -126.59 -8.82671 -63.6729 -108.357 -63.6727 -532.899 GPRESSURE: 308600 81.2452 -28.2279 -83.3861 -28.5899 -58.4338 -120.975 -129.633 5.74382 -401.912 PRESSAVG: 308600 45.6022 -4.61648 1.08026 -4.6165 -31.4362 44.7917 1.08021 44.7918 -3.3096 GPRESSAVG: 308600 44.0439 -3.77745 2.12667 -5.80672 -30.4561 43.3022 -2.77219 47.0201 -2.94959 TIMING: 308600 CPU: 962.224, 0.00309735/step Wall: 962.224, 0.00309735/step, 4.03637 hours remaining, 235.062500 MB of memory in use. ENERGY: 308600 4073.2358 20550.5482 14485.4455 241.3430 -203343.8607 2967.5594 0.0000 0.0000 52209.7067 -108816.0220 300.0499 -161025.7287 -108454.5080 299.4015 -156.4456 -126.3669 764883.9092 3.6188 3.5461 PRESSURE: 308800 381.116 -60.3037 188.37 -60.3029 207.827 -7.91492 188.37 -7.91377 245.487 GPRESSURE: 308800 416.446 -244.959 223.603 -47.3443 195.404 -124.467 201.935 42.7112 303.959 PRESSAVG: 308800 37.5708 -56.1719 5.45142 -56.1719 8.85451 18.0619 5.45143 18.0619 -0.471322 GPRESSAVG: 308800 38.9012 -56.9862 4.08106 -55.9697 8.1365 18.3336 5.5778 19.0928 -0.328044 TIMING: 308800 CPU: 962.844, 0.00310229/step Wall: 962.844, 0.00310229/step, 4.04263 hours remaining, 235.062500 MB of memory in use. ENERGY: 308800 3968.5292 20546.9552 14532.0860 242.9273 -203913.0056 3455.8915 0.0000 0.0000 52174.8994 -108991.7171 299.8499 -161166.6165 -108633.0162 299.3178 278.1431 305.2699 763672.7201 15.3180 15.5699 PRESSURE: 309000 63.6589 102.423 171.971 102.422 420.955 212.698 171.971 212.699 243.24 GPRESSURE: 309000 129.6 164.568 257.087 18.3421 465.6 228.882 123.576 200.037 240.278 PRESSAVG: 309000 54.2275 3.71583 26.5113 3.71591 -58.5202 -20.0686 26.5113 -20.0685 -1.27268 GPRESSAVG: 309000 54.8102 1.82567 27.8697 4.50862 -58.1502 -20.8358 26.8536 -21.4243 -2.63905 TIMING: 309000 CPU: 963.463, 0.00309388/step Wall: 963.463, 0.00309388/step, 4.0315 hours remaining, 235.062500 MB of memory in use. ENERGY: 309000 3959.9496 20652.2397 14375.9929 234.2881 -203257.7697 3195.9738 0.0000 0.0000 51724.6927 -109114.6329 297.2625 -160839.3255 -108754.6529 299.0913 242.6181 278.4927 762774.4723 -1.8551 -1.9930 PRESSURE: 309200 -8.65854 -104.873 149.119 -104.873 -219.539 199.126 149.118 199.126 22.9592 GPRESSURE: 309200 -30.8103 -52.3417 229.847 -96.1124 -147.98 217.081 75.8291 216.636 67.5338 PRESSAVG: 309200 12.2095 69.5241 35.8394 69.5241 -43.1678 45.5328 35.8394 45.5328 -9.17016 GPRESSAVG: 309200 12.4155 71.8947 33.8624 70.1356 -43.3715 48.1149 35.0358 45.846 -9.12398 TIMING: 309200 CPU: 964.086, 0.00311395/step Wall: 964.086, 0.00311395/step, 4.05747 hours remaining, 235.062500 MB of memory in use. ENERGY: 309200 4042.5969 20593.0213 14452.6033 239.8985 -202773.4464 2605.6909 0.0000 0.0000 52108.5269 -108731.1086 299.4684 -160839.6355 -108367.3937 298.8566 -68.4129 -37.0856 764621.7271 -13.3762 -13.3600 PRESSURE: 309400 115.585 29.9242 -70.5965 29.9239 -170.503 -34.0877 -70.5964 -34.0884 -204.113 GPRESSURE: 309400 199.597 157.152 10.9274 4.88288 -211.798 4.68488 -25.5326 -0.397809 -152.184 PRESSAVG: 309400 1.71047 -28.0829 -1.52407 -28.0828 18.7955 -31.3232 -1.52408 -31.3232 -3.96347 GPRESSAVG: 309400 1.38178 -28.3046 -0.107156 -27.9722 18.9422 -32.4198 -0.172869 -31.6995 -3.79019 TIMING: 309400 CPU: 964.71, 0.00312123/step Wall: 964.71, 0.00312123/step, 4.06679 hours remaining, 235.062500 MB of memory in use. ENERGY: 309400 3960.3661 20670.8864 14431.1994 265.4635 -202886.1382 2861.7960 0.0000 0.0000 52046.0771 -108650.3497 299.1095 -160696.4268 -108281.4218 300.1150 -86.3436 -54.7952 764696.9822 5.5142 5.5113 PRESSURE: 309600 116.508 -190.478 -20.3098 -190.478 -65.826 136.776 -20.3109 136.776 178.193 GPRESSURE: 309600 60.2598 -198.135 -10.9669 -190.466 43.4234 -7.95715 -135.618 105.359 206.434 PRESSAVG: 309600 7.17639 -21.3417 -0.77123 -21.3417 -5.32701 -30.6606 -0.771233 -30.6606 14.9549 GPRESSAVG: 309600 6.82819 -22.1591 0.457632 -21.9004 -5.02241 -32.0996 -3.59958 -28.6792 14.8593 TIMING: 309600 CPU: 965.334, 0.00312089/step Wall: 965.334, 0.00312089/step, 4.06618 hours remaining, 235.062500 MB of memory in use. ENERGY: 309600 4007.7005 20601.2205 14424.9851 255.6619 -203002.0961 3082.1490 0.0000 0.0000 52032.5112 -108597.8681 299.0316 -160630.3793 -108236.2802 299.7239 76.2917 103.3724 763748.1470 5.6014 5.5550 PRESSURE: 309800 -88.727 -124.884 241.774 -124.884 49.6697 307.78 241.774 307.779 -166.365 GPRESSURE: 309800 -81.1423 -8.96356 149.683 -44.2504 -4.1174 372.196 232.952 236.246 -30.0918 PRESSAVG: 309800 -10.4568 -14.7154 54.9931 -14.7155 -10.2893 4.71368 54.9931 4.71368 11.2279 GPRESSAVG: 309800 -11.1336 -12.2989 53.427 -14.5821 -10.1679 6.1316 58.4548 5.01956 12.0426 TIMING: 309800 CPU: 965.953, 0.00309419/step Wall: 965.953, 0.00309419/step, 4.03122 hours remaining, 235.062500 MB of memory in use. ENERGY: 309800 3960.4572 20636.7952 14430.6944 239.1362 -202500.2007 2646.1901 0.0000 0.0000 52061.4902 -108525.4374 299.1981 -160586.9276 -108172.6525 299.6478 -68.4742 -38.4505 764222.4762 -3.1727 -3.0863 PRESSURE: 310000 282.181 -77.1723 -69.028 -77.1725 -146.614 -221.95 -69.0273 -221.951 149.969 GPRESSURE: 310000 290.581 -111.66 -27.2858 -48.6762 -49.1212 -177.012 -138.016 -187.126 115.263 PRESSAVG: 310000 18.1479 33.5537 -6.20392 33.5536 -8.73747 17.9416 -6.20391 17.9416 -5.40418 GPRESSAVG: 310000 19.9386 32.1871 -8.93421 33.0374 -9.97672 18.5984 -6.40616 13.6047 -5.90547 TIMING: 310000 CPU: 966.572, 0.00309397/step Wall: 966.572, 0.00309397/step, 4.03076 hours remaining, 235.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 310000 3935.3202 20467.7085 14460.3622 259.4622 -202740.7858 2788.8057 0.0000 0.0000 52232.5406 -108596.5865 300.1811 -160829.1271 -108234.6111 300.1535 95.1789 118.9073 765362.8805 1.3354 1.3521 PRESSURE: 310200 96.8439 45.1389 184.177 45.1388 111.725 -155.501 184.177 -155.5 198.286 GPRESSURE: 310200 154.304 70.1477 138.966 85.9337 145 -161.58 200.995 -99.3434 174.247 PRESSAVG: 310200 -0.0214877 6.47831 -6.85294 6.47838 -4.38346 -8.12143 -6.85292 -8.12143 22.7456 GPRESSAVG: 310200 -0.99612 3.89282 -4.84234 6.215 -3.30856 -8.86288 -7.78063 -5.46998 22.2968 TIMING: 310200 CPU: 967.195, 0.00311464/step Wall: 967.195, 0.00311464/step, 4.05751 hours remaining, 235.062500 MB of memory in use. ENERGY: 310200 4034.7682 20469.3287 14431.0848 250.2783 -202999.3580 2779.3877 0.0000 0.0000 52255.5124 -108778.9978 300.3131 -161034.5102 -108416.6455 299.4324 135.6185 157.8502 763868.3451 6.1135 5.9974 PRESSURE: 310400 263.003 -4.18914 -186.303 -4.18978 329.079 -17.2875 -186.303 -17.2864 -65.4255 GPRESSURE: 310400 280.181 72.0297 -231.079 55.3068 378.019 42.1222 -32.545 34.3979 -75.65 PRESSAVG: 310400 31.5675 54.4892 -5.32826 54.4891 -0.410837 -2.95651 -5.32823 -2.95648 -27.7663 GPRESSAVG: 310400 30.8314 56.1194 -7.02029 54.5853 -0.91368 -3.07005 -5.59138 -5.14324 -27.0986 TIMING: 310400 CPU: 967.818, 0.00311413/step Wall: 967.818, 0.00311413/step, 4.05668 hours remaining, 235.062500 MB of memory in use. ENERGY: 310400 3953.9354 20471.8992 14534.0324 245.0193 -203302.0482 3043.2169 0.0000 0.0000 52208.0308 -108845.9143 300.0403 -161053.9451 -108483.5877 299.1561 175.5523 194.1833 762434.4954 1.1301 0.9397 PRESSURE: 310600 70.4681 -83.8863 -253.208 -83.8869 154.396 -27.4087 -253.207 -27.4096 269.853 GPRESSURE: 310600 53.3336 -144.56 -154.656 -31.2745 224.528 11.0741 -308.169 -216.826 297.392 PRESSAVG: 310600 7.83337 11.0863 -39.9474 11.0864 15.2362 -25.0424 -39.9474 -25.0424 -15.9208 GPRESSAVG: 310600 8.30689 8.43364 -38.4533 12.7963 15.2538 -24.9139 -40.4769 -23.5109 -16.4592 TIMING: 310600 CPU: 968.441, 0.003119/step Wall: 968.441, 0.003119/step, 4.06284 hours remaining, 235.062500 MB of memory in use. ENERGY: 310600 3982.5327 20540.6113 14521.7474 239.9369 -202799.0827 2838.0442 0.0000 0.0000 52017.7942 -108658.4158 298.9470 -160676.2101 -108290.5659 299.4971 164.9059 191.7514 763420.8809 2.3829 2.3672 PRESSURE: 310800 -381.256 146.966 178.294 146.965 358.984 -10.4504 178.294 -10.4516 -412.822 GPRESSURE: 310800 -365.921 175.151 241.559 224.777 407.204 -76.8327 141.13 53.0551 -385.857 PRESSAVG: 310800 4.08331 17.1205 -67.9127 17.1205 -40.1924 3.87012 -67.9128 3.87011 -25.3756 GPRESSAVG: 310800 4.57507 18.0222 -65.7217 14.7237 -40.0517 3.6952 -67.3162 4.46319 -26.1684 TIMING: 310800 CPU: 969.068, 0.00313267/step Wall: 969.068, 0.00313267/step, 4.08048 hours remaining, 235.062500 MB of memory in use. ENERGY: 310800 3938.1872 20594.4806 14434.8161 252.0572 -202736.9678 2745.2389 0.0000 0.0000 52227.7821 -108544.4057 300.1538 -160772.1878 -108186.5610 299.4724 -145.0312 -114.8579 765794.5718 -20.4949 -20.5483 PRESSURE: 311000 -151.905 -380.895 -185.115 -380.895 -33.5795 -279.696 -185.115 -279.694 72.3373 GPRESSURE: 311000 -76.7384 -249.536 -129.473 -381.029 -24.7138 -294.337 -244.288 -112.531 52.5124 PRESSAVG: 311000 51.0907 21.4736 -22.6055 21.4737 -55.3022 -25.5817 -22.6056 -25.5818 0.916061 GPRESSAVG: 311000 51.2119 22.1093 -24.2 24.2 -55.5646 -25.8512 -23.7399 -24.0929 1.69292 TIMING: 311000 CPU: 969.696, 0.00313815/step Wall: 969.696, 0.00313815/step, 4.08745 hours remaining, 235.062500 MB of memory in use. ENERGY: 311000 4030.1133 20606.8469 14504.2396 248.4218 -203154.1770 3024.3254 0.0000 0.0000 52299.5931 -108440.6370 300.5665 -160740.2300 -108069.4350 300.0725 -37.7159 -16.3132 765410.8222 -1.0985 -0.8866 PRESSURE: 311200 34.0162 -44.064 -44.2856 -44.0649 508.179 63.817 -44.2853 63.8179 157.477 GPRESSURE: 311200 73.5405 -78.0077 -94.1969 -67.9447 558.507 45.6683 -45.159 -3.1684 152.652 PRESSAVG: 311200 -49.4102 -29.3231 -42.5127 -29.3232 56.0028 -15.977 -42.5127 -15.977 -19.6892 GPRESSAVG: 311200 -48.8007 -28.975 -42.8775 -30.1914 55.1892 -14.2993 -41.9366 -16.847 -19.0672 TIMING: 311200 CPU: 970.321, 0.00312491/step Wall: 970.321, 0.00312491/step, 4.07002 hours remaining, 235.062500 MB of memory in use. ENERGY: 311200 4007.3718 20546.9731 14490.5235 248.4328 -203267.0738 3297.8008 0.0000 0.0000 52371.9612 -108304.0106 300.9824 -160675.9717 -107936.9115 300.3773 233.2241 261.5665 763994.6482 -4.3656 -4.2262 PRESSURE: 311400 -83.3873 41.5551 -20.7979 41.5559 9.32724 -109.563 -20.7977 -109.563 5.84811 GPRESSURE: 311400 -84.1126 46.9191 -81.5345 39.9208 83.9149 -93.3369 22.1682 -156.57 -6.68857 PRESSAVG: 311400 10.8199 -9.87952 -51.4525 -9.87952 -28.9691 -46.837 -51.4525 -46.837 -6.48462 GPRESSAVG: 311400 9.22364 -10.1835 -52.169 -10.0685 -27.2118 -48.7782 -50.3891 -48.1795 -6.84722 TIMING: 311400 CPU: 970.945, 0.00312133/step Wall: 970.945, 0.00312133/step, 4.06518 hours remaining, 235.062500 MB of memory in use. ENERGY: 311400 4063.9033 20448.6134 14473.8383 227.9633 -202963.7091 3066.4084 0.0000 0.0000 52236.8966 -108446.0857 300.2062 -160682.9823 -108076.9186 300.3798 -22.7373 -2.2954 764729.2521 -8.2113 -8.2784 PRESSURE: 311600 -234.779 -105.493 -12.1475 -105.494 -6.8739 -142.854 -12.1473 -142.853 41.0349 GPRESSURE: 311600 -215.223 -16.9878 -45.6669 -53.5646 59.937 -158.904 98.0747 -104.554 41.8036 PRESSAVG: 311600 12.2766 4.12659 33.4541 4.12662 1.44438 23.7605 33.4541 23.7606 -18.6921 GPRESSAVG: 311600 12.2337 4.13757 31.3641 4.26216 2.03096 24.2657 34.1212 25.2003 -19.4458 TIMING: 311600 CPU: 971.572, 0.00313579/step Wall: 971.572, 0.00313579/step, 4.08384 hours remaining, 235.062500 MB of memory in use. ENERGY: 311600 4091.6016 20604.3234 14459.4172 248.6358 -202754.7219 2626.2661 0.0000 0.0000 52241.0176 -108483.4602 300.2298 -160724.4778 -108123.1676 300.0101 -66.8727 -37.8274 764703.1650 -1.6571 -1.7270 PRESSURE: 311800 -371.342 120.643 228.546 120.642 -366.169 152.213 228.547 152.214 -35.4957 GPRESSURE: 311800 -348.512 172.616 161.797 75.9702 -353.565 120.486 195.124 114.688 -18.5808 PRESSAVG: 311800 -23.7198 -2.37686 -26.0768 -2.37687 -7.00177 35.5049 -26.0768 35.5049 8.95721 GPRESSAVG: 311800 -22.3212 -2.72972 -22.5224 -1.888 -8.31528 35.6248 -29.8293 35.1337 8.39123 TIMING: 311800 CPU: 972.2, 0.00313762/step Wall: 972.2, 0.00313762/step, 4.08606 hours remaining, 235.062500 MB of memory in use. ENERGY: 311800 4046.7568 20543.4912 14505.7435 249.9020 -202960.4763 2589.9266 0.0000 0.0000 52431.4170 -108593.2392 301.3241 -161024.6562 -108236.6690 300.3858 -257.6689 -240.2192 764723.5811 -7.2548 -7.4151 PRESSURE: 312000 100.829 -12.0482 -6.85255 -12.0479 18.7784 76.6234 -6.85399 76.6233 25.8331 GPRESSURE: 312000 106.986 -47.7774 38.2992 9.16806 93.0702 87.3374 9.21231 53.5596 6.05386 PRESSAVG: 312000 -2.79673 35.7483 1.25774 35.7482 -2.6213 5.79356 1.25776 5.79352 -12.4016 GPRESSAVG: 312000 -2.3408 37.272 0.683726 34.6947 -3.19324 6.53925 1.53804 5.44313 -12.1232 TIMING: 312000 CPU: 972.825, 0.00312616/step Wall: 972.825, 0.00312616/step, 4.07096 hours remaining, 235.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 312000 4040.8682 20478.9481 14499.4794 244.2745 -202879.2663 2916.9705 0.0000 0.0000 52234.2710 -108464.4546 300.1911 -160698.7255 -108098.2626 300.2620 48.4802 68.7035 764318.7451 -5.9399 -5.8858 PRESSURE: 312200 -136.408 8.64876 -38.5586 8.64711 -198.443 227.879 -38.5589 227.877 -31.9696 GPRESSURE: 312200 -131.273 47.0041 -64.1915 78.8069 -193.473 306.985 -31.7166 218.554 38.7571 PRESSAVG: 312200 3.25167 24.8369 6.48986 24.8368 -21.634 -19.436 6.48985 -19.4361 1.80211 GPRESSAVG: 312200 3.73114 26.1553 6.12811 23.3722 -22.5801 -18.4634 7.34935 -22.2019 1.81299 TIMING: 312200 CPU: 973.447, 0.00310905/step Wall: 973.447, 0.00310905/step, 4.0485 hours remaining, 235.062500 MB of memory in use. ENERGY: 312200 4044.4328 20559.4542 14447.1949 249.8640 -202981.7519 2832.7191 0.0000 0.0000 52244.5615 -108603.5253 300.2502 -160848.0868 -108248.1826 300.1132 -122.2738 -95.3295 764631.7197 -5.5267 -5.6787 LDB: ============= START OF LOAD BALANCING ============== 985.924 LDB: ============== END OF LOAD BALANCING =============== 985.924 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 985.926 LDB: ============= START OF LOAD BALANCING ============== 986.236 LDB: Largest compute 7052 load 0.029915 is 15.4% of average load 0.194768 LDB: Average compute 0.004378 is 2.2% of average load 0.194768 LDB: TIME 986.24 LOAD: AVG 0.194768 MAX 0.217533 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.84 MB LDB: TIME 986.24 LOAD: AVG 0.194768 MAX 0.217533 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.91 MB LDB: TIME 986.24 LOAD: AVG 0.194768 MAX 0.217182 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.91 MB LDB: ============== END OF LOAD BALANCING =============== 986.243 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 986.248 PRESSURE: 312400 45.4106 -32.785 83.3987 -32.7846 -435.904 123.276 83.3982 123.276 -31.2908 GPRESSURE: 312400 17.5406 14.8139 103.706 53.4071 -339.974 135.861 14.4269 88.7509 -9.16988 PRESSAVG: 312400 18.7593 22.3096 32.7228 22.3096 9.5758 -1.85846 32.7228 -1.85846 -5.04262 GPRESSAVG: 312400 18.3075 22.7093 33.6665 24.1046 11.2152 -1.81738 32.3701 0.101131 -6.78667 TIMING: 312400 CPU: 974.082, 0.00317574/step Wall: 974.082, 0.00317574/step, 4.13516 hours remaining, 233.527344 MB of memory in use. ENERGY: 312400 4043.0010 20361.8633 14497.4778 238.8471 -202852.9691 2722.6193 0.0000 0.0000 52147.4216 -108841.7391 299.6919 -160989.1606 -108478.2830 299.3372 -140.5947 -110.5343 764580.4253 7.7641 7.5787 PRESSURE: 312600 -274.179 -50.2127 -162.589 -50.2137 128.89 93.275 -162.59 93.2758 -483.856 GPRESSURE: 312600 -235.995 -89.658 -91.1848 -208.658 103.965 114.233 -96.9527 -29.4606 -413.097 PRESSAVG: 312600 22.7952 -30.5511 -46.7856 -30.5511 5.91662 37.5282 -46.7856 37.5283 -44.4764 GPRESSAVG: 312600 22.1688 -34.4163 -47.5665 -29.9341 7.00358 38.2768 -45.277 39.1941 -44.5637 TIMING: 312600 CPU: 974.702, 0.0030996/step Wall: 974.702, 0.0030996/step, 4.03585 hours remaining, 233.527344 MB of memory in use. ENERGY: 312600 4084.6699 20481.5522 14462.2456 263.0362 -202904.2081 2581.9378 0.0000 0.0000 52181.3075 -108849.4589 299.8867 -161030.7664 -108477.9210 298.9253 -209.7150 -181.7088 764072.8308 -5.2549 -5.1304 PRESSURE: 312800 -16.4012 8.66624 173.663 8.66675 32.2761 -281.177 173.663 -281.177 355.883 GPRESSURE: 312800 -29.6727 -29.6069 241.224 0.391545 124.732 -256.465 128.93 -194.857 342.912 PRESSAVG: 312800 -4.0529 -36.5593 51.5495 -36.5593 -3.00416 21.5249 51.5495 21.5249 1.23627 GPRESSAVG: 312800 -3.63313 -33.3806 51.2518 -39.7921 -4.48322 21.6927 51.8031 20.7796 2.25364 TIMING: 312800 CPU: 975.323, 0.00310575/step Wall: 975.323, 0.00310575/step, 4.04369 hours remaining, 233.527344 MB of memory in use. ENERGY: 312800 3927.6494 20314.0353 14417.9215 237.8703 -202915.3225 2924.3378 0.0000 0.0000 52258.6295 -108834.8788 300.3311 -161093.5084 -108473.1235 299.1194 123.9194 145.9906 765761.0613 -1.9403 -1.9542 PRESSURE: 313000 -90.0058 -364.967 44.6248 -364.967 -185.886 -184.374 44.6245 -184.373 207.445 GPRESSURE: 313000 -113.82 -433.712 72.501 -299.877 -125.776 -278.7 -34.5316 -71.5189 252.455 PRESSAVG: 313000 -5.26024 -64.6762 -51.3403 -64.6762 21.7937 -55.9773 -51.3402 -55.9773 15.4611 GPRESSAVG: 313000 -7.84202 -66.557 -50.2681 -60.8968 22.9107 -57.3777 -52.7092 -55.9716 16.5361 TIMING: 313000 CPU: 975.945, 0.00311055/step Wall: 975.945, 0.00311055/step, 4.04976 hours remaining, 233.527344 MB of memory in use. ENERGY: 313000 3926.6392 20502.6822 14499.8693 237.9534 -202980.2978 2764.9556 0.0000 0.0000 52105.7729 -108942.4252 299.4526 -161048.1981 -108571.0972 299.1804 -22.8159 4.2861 764077.4076 10.6648 10.5349 PRESSURE: 313200 -570.33 -30.3956 -208.686 -30.3953 -109.057 95.1864 -208.685 95.1866 86.8181 GPRESSURE: 313200 -447.322 101.022 -73.5767 0.654347 -130.058 123.908 -249.022 43.1213 93.8062 PRESSAVG: 313200 -35.6806 5.43576 35.4214 5.43576 5.4149 -39.5823 35.4213 -39.5823 -10.4025 GPRESSAVG: 313200 -32.7942 6.69595 33.8298 2.65524 4.18623 -38.7784 35.69 -39.1179 -11.4341 TIMING: 313200 CPU: 976.574, 0.00314451/step Wall: 976.574, 0.00314451/step, 4.0938 hours remaining, 233.527344 MB of memory in use. ENERGY: 313200 4051.4207 20330.2446 14516.5670 241.1106 -202828.8361 2711.5976 0.0000 0.0000 52241.1971 -108736.6985 300.2309 -160977.8956 -108371.2503 299.1116 -197.5229 -161.1911 763812.5596 -13.5560 -13.3473 PRESSURE: 313400 -20.2706 53.9226 45.0459 53.9227 164.597 -160.361 45.046 -160.361 -254.405 GPRESSURE: 313400 76.4155 6.4148 114.393 142.42 241.768 -175.269 -39.7265 -44.413 -343.919 PRESSAVG: 313400 18.261 8.11341 -24.8106 8.11337 -4.24725 -24.7 -24.8107 -24.6999 24.5549 GPRESSAVG: 313400 17.0889 6.46513 -23.9073 10.5928 -2.92312 -25.2039 -25.1671 -23.995 24.1007 TIMING: 313400 CPU: 977.195, 0.00310805/step Wall: 977.195, 0.00310805/step, 4.04616 hours remaining, 233.527344 MB of memory in use. ENERGY: 313400 4068.9566 20449.2842 14497.8057 229.7890 -203205.7103 3099.5713 0.0000 0.0000 52039.6884 -108820.6150 299.0728 -160860.3034 -108454.9887 299.2446 -36.6927 -8.5786 762260.1117 12.8562 12.7555 PRESSURE: 313600 -176.399 192.283 240.328 192.282 -304.159 191.12 240.327 191.12 -287.512 GPRESSURE: 313600 -153.181 39.0196 159.855 189.96 -273.304 211.159 178.617 184.31 -245.046 PRESSAVG: 313600 -12.1519 39.1924 -15.4574 39.1923 -15.7174 9.26001 -15.4574 9.25989 -6.55544 GPRESSAVG: 313600 -11.0877 40.069 -13.8285 38.8953 -16.5946 9.13502 -16.2566 8.05703 -6.06316 TIMING: 313600 CPU: 977.814, 0.00309442/step Wall: 977.814, 0.00309443/step, 4.02825 hours remaining, 233.527344 MB of memory in use. ENERGY: 313600 4019.6197 20556.1959 14525.8406 245.1497 -202713.5375 2517.1233 0.0000 0.0000 52130.7435 -108718.8646 299.5961 -160849.6081 -108346.4234 299.0566 -256.0233 -223.8435 763902.7672 -11.4749 -11.2485 PRESSURE: 313800 -262.166 -139.382 288.196 -139.382 -75.1676 21.6608 288.196 21.6607 223.601 GPRESSURE: 313800 -157.168 -137.049 289.975 -227.291 -23.6888 -9.62034 178.131 101.334 141.259 PRESSAVG: 313800 42.0803 -14.1699 -17.9025 -14.1699 -4.18167 -5.89974 -17.9025 -5.89973 19.9474 GPRESSAVG: 313800 41.3565 -15.2568 -19.3872 -12.6893 -2.72304 -6.07373 -17.5998 -5.73673 19.9025 TIMING: 313800 CPU: 978.435, 0.00310333/step Wall: 978.435, 0.00310333/step, 4.03968 hours remaining, 233.527344 MB of memory in use. ENERGY: 313800 4082.5769 20369.5536 14475.9475 239.7234 -203111.9830 2813.9943 0.0000 0.0000 52411.2994 -108718.8879 301.2085 -161130.1873 -108345.9923 299.6847 -37.9109 -13.1995 762164.8805 19.2820 19.5120 PRESSURE: 314000 -83.5194 -1.04463 -67.6007 -1.04506 325.368 -183.809 -67.5995 -183.809 156.277 GPRESSURE: 314000 -27.999 -67.8507 -87.5775 34.8034 308.721 -73.1482 -57.8917 -156.044 187.416 PRESSAVG: 314000 -49.2803 6.43872 24.3312 6.43874 18.5261 0.439538 24.3312 0.439449 7.1382 GPRESSAVG: 314000 -48.1053 9.40241 22.9421 5.88021 16.9834 0.755185 25.3157 0.594007 6.97191 TIMING: 314000 CPU: 979.058, 0.00311284/step Wall: 979.058, 0.00311284/step, 4.05187 hours remaining, 233.527344 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: 314000 3995.6197 20653.4331 14531.2370 256.9686 -202944.0511 2849.9542 0.0000 0.0000 51860.3706 -108796.4678 298.0423 -160656.8385 -108444.2688 299.6613 132.7086 156.0461 763032.7216 -7.8720 -8.0500 PRESSURE: 314200 -346.722 136.551 -160.344 136.552 -244.49 324.164 -160.344 324.162 -70.6109 GPRESSURE: 314200 -279.215 155.042 -29.2669 65.9465 -217.447 277.388 -116.991 214.906 -100.068 PRESSAVG: 314200 -9.04123 -28.8245 -5.33003 -28.8245 -8.73073 36.2204 -5.33004 36.2203 -6.47106 GPRESSAVG: 314200 -10.0168 -30.0794 -4.62815 -29.5151 -7.96894 36.362 -5.31085 36.7634 -6.35612 TIMING: 314200 CPU: 979.679, 0.00310524/step Wall: 979.679, 0.00310524/step, 4.04182 hours remaining, 233.527344 MB of memory in use. ENERGY: 314200 4045.3326 20632.6202 14456.6354 247.5596 -202625.4427 2457.9645 0.0000 0.0000 52069.7943 -108715.5361 299.2458 -160785.3304 -108357.4168 299.4721 -220.6077 -198.9099 763269.8596 -8.0810 -8.1140 PRESSURE: 314400 -36.5786 59.6654 145.103 59.6652 44.3029 206.087 145.104 206.087 84.6913 GPRESSURE: 314400 37.1625 41.4859 247.511 112.233 43.1867 318.982 128.03 157.858 90.2819 PRESSAVG: 314400 -15.0967 -20.949 69.6424 -20.949 -16.0568 68.5903 69.6424 68.5904 10.1654 GPRESSAVG: 314400 -15.441 -19.3577 68.2573 -21.9362 -16.6538 68.6496 70.6536 66.7191 10.4961 TIMING: 314400 CPU: 980.304, 0.0031248/step Wall: 980.304, 0.0031248/step, 4.0671 hours remaining, 233.527344 MB of memory in use. ENERGY: 314400 4003.6734 20421.0774 14511.0518 270.4523 -203103.3270 3018.6750 0.0000 0.0000 52171.3851 -108707.0120 299.8297 -160878.3972 -108347.6914 300.0619 30.8052 56.8770 764447.2709 -6.9960 -7.1996 PRESSURE: 314600 -108.568 32.0736 -13.7662 32.074 -5.53443 -58.0422 -13.7674 -58.0431 149.216 GPRESSURE: 314600 53.9369 85.2188 -142.735 159.313 -67.4359 -17.4061 9.18684 12.2949 140.054 PRESSAVG: 314600 9.23158 20.6121 -5.28972 20.612 30.8478 25.1649 -5.28976 25.1651 -23.8642 GPRESSAVG: 314600 9.49004 19.4952 -4.35524 21.5946 31.1331 24.8705 -6.00533 26.8639 -24.3637 TIMING: 314600 CPU: 980.927, 0.00311515/step Wall: 980.927, 0.00311515/step, 4.05437 hours remaining, 233.527344 MB of memory in use. ENERGY: 314600 4067.6002 20694.5509 14486.3969 267.1675 -203416.2992 3094.4705 0.0000 0.0000 52237.4693 -108568.6440 300.2095 -160806.1133 -108218.8080 299.5460 11.7044 42.1851 763589.6834 5.4051 5.4198 PRESSURE: 314800 -209.8 25.5881 70.3992 25.5873 -121.651 21.2475 70.3983 21.2471 249.686 GPRESSURE: 314800 -143.324 13.167 128.535 78.3622 -67.2312 -43.0396 140.732 12.0074 225.898 PRESSAVG: 314800 27.717 8.92189 -47.5546 8.92184 -7.63371 44.8799 -47.5547 44.8798 11.4678 GPRESSAVG: 314800 27.8862 9.07495 -47.4473 10.2509 -8.92565 45.2917 -46.2216 44.5827 12.2011 TIMING: 314800 CPU: 981.547, 0.00310406/step Wall: 981.547, 0.00310406/step, 4.03976 hours remaining, 233.527344 MB of memory in use. ENERGY: 314800 4042.3555 20618.3905 14482.4323 241.6758 -203214.1772 2997.6825 0.0000 0.0000 52159.1501 -108672.4906 299.7594 -160831.6407 -108312.6718 299.4605 -27.2552 5.1144 764970.4239 10.5170 10.3872 PRESSURE: 315000 109.82 39.5865 -47.5408 39.5857 -211.55 201.92 -47.5408 201.921 7.07043 GPRESSURE: 315000 108.876 -48.238 -64.8942 -46.2714 -160.671 151.697 -49.1193 290.572 11.7273 PRESSAVG: 315000 26.7636 32.571 -46.8748 32.5709 -43.9321 67.9104 -46.8748 67.9104 31.079 GPRESSAVG: 315000 26.4517 31.8814 -46.2159 31.5533 -43.1346 66.7053 -48.049 69.7308 30.6708 TIMING: 315000 CPU: 982.168, 0.00310308/step Wall: 982.168, 0.00310308/step, 4.03831 hours remaining, 233.527344 MB of memory in use. ENERGY: 315000 4063.5567 20642.9077 14438.3587 227.2267 -202958.3536 2862.3088 0.0000 0.0000 52179.9803 -108544.0148 299.8791 -160723.9951 -108177.1327 300.3257 -31.5529 -13.3559 765419.1077 4.6369 4.6626 PRESSURE: 315200 -443.544 20.7834 -116.948 20.7842 -187.805 228.197 -116.948 228.197 -218.491 GPRESSURE: 315200 -342.693 -4.35716 -27.7807 14.0933 -219.121 314.364 -267.942 120.913 -199.31 PRESSAVG: 315200 3.94531 -13.5785 1.86457 -13.5784 -29.2625 46.7219 1.8646 46.7218 4.03542 GPRESSAVG: 315200 3.25966 -10.6371 1.60484 -13.9358 -29.0075 46.2416 1.40947 45.8414 4.53539 TIMING: 315200 CPU: 982.789, 0.00310561/step Wall: 982.789, 0.00310561/step, 4.04143 hours remaining, 233.527344 MB of memory in use. ENERGY: 315200 3961.1133 20521.4306 14509.3672 235.2877 -202761.8991 2620.1854 0.0000 0.0000 52470.3767 -108444.1383 301.5480 -160914.5150 -108065.8603 300.4686 -283.2800 -253.7081 763912.3836 -7.0939 -7.0708 PRESSURE: 315400 -105.804 -179.406 -54.258 -179.405 209.729 0.876283 -54.2576 0.876137 441.998 GPRESSURE: 315400 -26.8981 -47.7095 -45.6451 -248.813 239.651 -64.3596 2.17994 19.3729 401.141 PRESSAVG: 315400 -74.741 33.7838 -22.893 33.7837 69.3855 46.4145 -22.893 46.4145 -10.8399 GPRESSAVG: 315400 -75.3079 30.659 -22.0257 34.063 68.4998 45.8096 -22.6605 46.2332 -9.90064 TIMING: 315400 CPU: 983.408, 0.00309226/step Wall: 983.408, 0.00309226/step, 4.02388 hours remaining, 233.527344 MB of memory in use. ENERGY: 315400 3952.7320 20828.3829 14443.8518 245.6214 -202777.7594 2750.2972 0.0000 0.0000 52311.3157 -108245.5582 300.6339 -160556.8739 -107879.8905 300.7731 181.9742 204.6312 762488.3666 -5.3985 -5.5696 PRESSURE: 315600 -909.825 72.7441 -9.70306 72.7449 -476.601 54.7479 -9.7018 54.7474 -74.3171 GPRESSURE: 315600 -752.818 72.6651 -48.4703 124.149 -431.937 48.4447 -32.8076 -9.0754 -187.161 PRESSAVG: 315600 -36.858 -19.7409 66.8914 -19.7408 49.1345 -4.85939 66.8914 -4.85934 -2.43503 GPRESSAVG: 315600 -36.6144 -18.9064 66.3159 -18.5273 48.7074 -3.37971 65.6478 -5.29356 -2.60111 TIMING: 315600 CPU: 984.03, 0.00311384/step Wall: 984.03, 0.00311384/step, 4.0518 hours remaining, 233.527344 MB of memory in use. ENERGY: 315600 4064.9768 20610.3816 14442.7128 231.1051 -202379.5049 2307.8270 0.0000 0.0000 52257.4361 -108465.0655 300.3242 -160722.5017 -108090.9115 300.6385 -486.9144 -457.3056 765839.6925 3.2805 3.1640 PRESSURE: 315800 54.4945 107.201 116.754 107.2 -85.9917 114.437 116.754 114.437 -177.854 GPRESSURE: 315800 66.8174 62.9747 99.9441 43.1885 -67.3919 97.7756 34.2169 150.367 -123.524 PRESSAVG: 315800 4.22855 -14.2785 -11.3728 -14.2786 -15.0598 -20.6886 -11.3728 -20.6886 -24.4434 GPRESSAVG: 315800 4.99729 -14.6027 -13.0548 -14.6861 -16.0591 -22.0493 -10.4582 -20.0923 -24.4413 TIMING: 315800 CPU: 984.652, 0.00310568/step Wall: 984.652, 0.00310568/step, 4.041 hours remaining, 233.527344 MB of memory in use. ENERGY: 315800 4007.9385 20524.1407 14468.7381 264.7702 -203072.1161 2827.6268 0.0000 0.0000 52187.8216 -108791.0801 299.9241 -160978.9017 -108426.9557 300.1680 -69.7838 -41.3663 764727.1101 -11.7582 -11.8344 PRESSURE: 316000 -38.8946 -165.857 75.1958 -165.856 37.2093 451.597 75.1959 451.597 -386.91 GPRESSURE: 316000 -34.3279 -164.955 -60.1917 -117.923 51.098 372.219 161.254 280.756 -337.697 PRESSAVG: 316000 -25.7652 -20.0364 5.76429 -20.0363 34.7787 60.3556 5.76428 60.3556 10.4518 GPRESSAVG: 316000 -26.5577 -18.9524 6.81488 -22.0918 35.0383 62.0797 4.81122 58.2802 10.53 TIMING: 316000 CPU: 985.272, 0.00310095/step Wall: 985.272, 0.00310095/step, 4.03468 hours remaining, 233.527344 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: 316000 3977.8939 20694.3791 14484.2836 229.2826 -202992.2327 2740.8904 0.0000 0.0000 52274.2695 -108591.2335 300.4209 -160865.5030 -108236.2072 299.8089 -129.5318 -106.9755 764219.7634 6.4884 6.3368 PRESSURE: 316200 -309.698 -83.9577 18.3077 -83.9572 176.539 -147.374 18.3074 -147.374 -119.05 GPRESSURE: 316200 -259.758 -64.7148 119.228 -145.876 245.477 -108.732 -96.2297 -77.2779 -156.409 PRESSAVG: 316200 -1.92104 -65.7245 -23.9043 -65.7245 3.6639 39.0952 -23.9043 39.0952 -12.7214 GPRESSAVG: 316200 -0.874373 -65.4811 -24.2876 -65.1126 3.87212 38.6538 -22.7862 41.3567 -13.9678 TIMING: 316200 CPU: 985.891, 0.00309599/step Wall: 985.891, 0.00309599/step, 4.02806 hours remaining, 233.527344 MB of memory in use. ENERGY: 316200 4011.7047 20608.8658 14374.8595 234.5632 -203081.5950 3015.8972 0.0000 0.0000 52208.8971 -108626.8074 300.0452 -160835.7045 -108276.2541 300.0343 -84.0698 -56.8964 766124.7123 -3.6595 -3.6567 LDB: ============= START OF LOAD BALANCING ============== 998.367 LDB: ============== END OF LOAD BALANCING =============== 998.368 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 998.369 LDB: ============= START OF LOAD BALANCING ============== 998.68 LDB: Largest compute 6997 load 0.029946 is 15.4% of average load 0.194744 LDB: Average compute 0.004373 is 2.2% of average load 0.194744 LDB: TIME 998.683 LOAD: AVG 0.194744 MAX 0.21948 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.039 MB LDB: TIME 998.684 LOAD: AVG 0.194744 MAX 0.21948 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.238 MB LDB: TIME 998.684 LOAD: AVG 0.194744 MAX 0.216128 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.238 MB LDB: ============== END OF LOAD BALANCING =============== 998.686 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 998.691 PRESSURE: 316400 -13.8574 -54.07 -63.7192 -54.0704 -142.305 330.576 -63.7195 330.576 -226.565 GPRESSURE: 316400 -30.2985 -8.80438 16.3501 43.8726 -60.2555 311.486 -73.0722 258.198 -220.825 PRESSAVG: 316400 1.8429 -2.65155 7.10061 -2.65153 12.3368 16.4634 7.1005 16.4633 -3.18358 GPRESSAVG: 316400 0.571075 -3.76089 8.23224 -2.10629 13.4409 15.3933 7.88881 16.1862 -2.88182 TIMING: 316400 CPU: 986.525, 0.00316988/step Wall: 986.525, 0.00316988/step, 4.12402 hours remaining, 233.527344 MB of memory in use. ENERGY: 316400 4142.7298 20730.4343 14426.1560 228.6424 -203024.3312 2989.1013 0.0000 0.0000 52030.9863 -108476.2810 299.0228 -160507.2673 -108116.0869 299.5719 -127.5756 -103.7930 765042.7628 3.6654 3.7101 PRESSURE: 316600 -190.144 -30.0818 -16.0109 -30.0818 -121.426 -141.35 -16.0104 -141.352 -296.121 GPRESSURE: 316600 -125.708 56.5428 6.21238 77.1342 -122.484 -123.897 17.6198 -187.332 -296.33 PRESSAVG: 316600 9.60056 -22.1081 -18.5515 -22.1081 -37.911 -19.8479 -18.5515 -19.8479 -2.22455 GPRESSAVG: 316600 10.24 -22.5251 -18.5888 -21.2707 -38.3661 -19.1599 -20.2439 -20.8274 -2.20024 TIMING: 316600 CPU: 987.145, 0.00310181/step Wall: 987.145, 0.00310181/step, 4.03528 hours remaining, 233.527344 MB of memory in use. ENERGY: 316600 3974.1785 20746.3717 14501.1638 250.8188 -203037.3940 2758.0729 0.0000 0.0000 52106.4374 -108700.3507 299.4564 -160806.7882 -108336.9494 299.7520 -202.5634 -181.5071 765762.4839 -10.1783 -10.1088 PRESSURE: 316800 -306.127 -254.631 -158.922 -254.63 -242.053 12.9482 -158.921 12.9481 -8.71666 GPRESSURE: 316800 -292.98 -235.929 -140.048 -195.982 -162.261 96.2666 -28.3948 64.3668 -26.6346 PRESSAVG: 316800 47.464 -50.4398 -26.5282 -50.4398 -7.26718 0.241384 -26.5282 0.241318 -7.75216 GPRESSAVG: 316800 47.9339 -48.7088 -26.8577 -52.1753 -7.24433 0.895067 -26.04 -0.21636 -7.62134 TIMING: 316800 CPU: 987.767, 0.00311025/step Wall: 987.767, 0.00311025/step, 4.0461 hours remaining, 233.527344 MB of memory in use. ENERGY: 316800 3977.0729 20559.3043 14507.7945 248.8550 -203032.7721 2935.7706 0.0000 0.0000 52276.9618 -108527.0130 300.4364 -160803.9748 -108158.7323 299.8478 -185.6323 -160.6251 765138.7702 10.8149 11.0228 PRESSURE: 317000 88.6119 -69.3862 42.6383 -69.3848 -158.63 -70.1543 42.6396 -70.1548 482.074 GPRESSURE: 317000 103.513 -34.0703 30.1016 -15.4593 -114.648 -73.3773 66.2733 -51.9274 527.682 PRESSAVG: 317000 12.8455 -6.91121 -6.62435 -6.91115 -32.2777 12.2073 -6.62441 12.2073 -13.5503 GPRESSAVG: 317000 12.7858 -8.3359 -7.45283 -5.03004 -32.3582 11.6924 -3.20142 12.6941 -13.305 TIMING: 317000 CPU: 988.39, 0.0031111/step Wall: 988.39, 0.0031111/step, 4.04702 hours remaining, 233.527344 MB of memory in use. ENERGY: 317000 4031.0571 20616.8752 14488.2613 232.7095 -203191.8579 3003.5671 0.0000 0.0000 52145.9014 -108673.4862 299.6832 -160819.3876 -108311.4097 299.9484 137.3520 172.1825 764979.3359 -10.9942 -10.9591 PRESSURE: 317200 56.836 70.4609 -128.496 70.4607 118.638 -117.248 -128.496 -117.247 -243.921 GPRESSURE: 317200 17.8632 22.6237 -97.3412 53.1501 120.962 -141.197 -138.966 -52.8506 -136.796 PRESSAVG: 317200 -32.0529 -18.9495 -37.5422 -18.9496 24.4322 -17.2094 -37.5422 -17.2095 -1.84187 GPRESSAVG: 317200 -32.2627 -15.804 -35.5446 -20.731 24.876 -17.5651 -40.1694 -15.8723 -2.22748 TIMING: 317200 CPU: 989.013, 0.00311798/step Wall: 989.013, 0.00311798/step, 4.0558 hours remaining, 233.527344 MB of memory in use. ENERGY: 317200 3960.4591 20638.7994 14479.9114 283.4972 -203307.4202 2882.7750 0.0000 0.0000 52217.8651 -108844.1130 300.0968 -161061.9780 -108474.0730 299.6632 -22.8157 0.6763 765520.3585 -3.1542 -3.2047 PRESSURE: 317400 -101.669 224.51 -62.8393 224.51 -93.8028 98.1547 -62.8386 98.1545 -245.092 GPRESSURE: 317400 -141.758 203.525 -24.9422 160.335 -14.357 93.819 -69.3842 83.4758 -210.711 PRESSAVG: 317400 -23.6599 -0.768205 11.1357 -0.768218 15.9058 7.39627 11.1356 7.39629 2.54156 GPRESSAVG: 317400 -23.1527 -3.12539 10.2669 0.889046 15.1465 8.31179 9.41667 5.88291 2.51938 TIMING: 317400 CPU: 989.633, 0.00309709/step Wall: 989.633, 0.00309709/step, 4.02846 hours remaining, 233.527344 MB of memory in use. ENERGY: 317400 4021.8184 20692.5285 14418.1196 250.5249 -203157.7760 2689.8253 0.0000 0.0000 52025.5124 -109059.4470 298.9913 -161084.9594 -108685.3107 299.0924 -146.8547 -122.2753 763782.3545 -1.7375 -1.8290 PRESSURE: 317600 -258.554 -152.233 -84.7503 -152.234 -271.145 -1.60657 -84.7502 -1.60687 -89.6428 GPRESSURE: 317600 -117.621 -225.257 -26.7888 -66.8439 -292.035 65.8849 -214.223 28.1395 -124.303 PRESSAVG: 317600 -8.81759 -23.7973 -8.10676 -23.7973 10.3212 -21.3402 -8.10677 -21.3403 14.8895 GPRESSAVG: 317600 -10.1075 -25.5312 -6.61144 -24.7822 11.6209 -22.6697 -7.53008 -19.1845 15.0095 TIMING: 317600 CPU: 990.254, 0.00310807/step Wall: 990.254, 0.00310807/step, 4.04257 hours remaining, 233.527344 MB of memory in use. ENERGY: 317600 4044.2458 20405.3003 14371.3799 248.3952 -203250.5404 2960.1986 0.0000 0.0000 52211.8846 -109009.1359 300.0624 -161221.0205 -108649.6322 299.0645 -206.4473 -177.9861 763344.6065 5.4644 5.5077 PRESSURE: 317800 -43.9162 -55.314 258.641 -55.3141 406.838 192.952 258.641 192.953 114.816 GPRESSURE: 317800 98.5391 -186.975 284.841 4.87463 397.984 225.686 241.897 134.472 67.6643 PRESSAVG: 317800 -33.2934 -74.5463 31.0469 -74.5463 0.788482 37.7301 31.0469 37.7301 -3.19767 GPRESSAVG: 317800 -32.1294 -73.797 30.4943 -73.2845 0.355969 38.4136 30.8848 36.1565 -3.86854 TIMING: 317800 CPU: 990.874, 0.00310097/step Wall: 990.874, 0.00310097/step, 4.03315 hours remaining, 233.527344 MB of memory in use. ENERGY: 317800 3985.6079 20453.6365 14412.0419 246.7132 -203601.5787 3154.4696 0.0000 0.0000 52131.0445 -109218.0651 299.5978 -161349.1096 -108858.5867 299.3246 159.2460 188.0625 761359.3882 -11.9009 -11.8806 PRESSURE: 318000 -103.942 122.877 -308.375 122.876 -24.591 29.7665 -308.376 29.7663 -24.056 GPRESSURE: 318000 -30.8267 75.5842 -405.711 123.734 -73.7726 -71.9247 -347.116 40.8831 38.964 PRESSAVG: 318000 -10.1763 -49.8443 19.5905 -49.8443 40.5375 8.50434 19.5905 8.50437 -8.21007 GPRESSAVG: 318000 -10.2606 -50.7688 18.6856 -48.8415 40.3201 9.54035 21.6198 8.50699 -7.63408 TIMING: 318000 CPU: 991.493, 0.00309376/step Wall: 991.493, 0.00309376/step, 4.0236 hours remaining, 233.527344 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: 318000 4096.7546 20442.6099 14424.8125 232.6769 -203588.3619 3147.9639 0.0000 0.0000 52072.4550 -109171.0891 299.2611 -161243.5440 -108814.1991 299.4041 -50.8629 -21.8785 761771.2735 7.3837 7.4751 PRESSURE: 318200 -49.7893 79.7129 187.146 79.7125 115.305 31.8526 187.146 31.8528 -37.5919 GPRESSURE: 318200 -46.8359 121.455 220.283 132.284 178.264 24.7219 156.471 47.7092 -41.7728 PRESSAVG: 318200 11.61 -11.4096 9.42747 -11.4096 -43.1064 -8.99408 9.42752 -8.99413 -2.61813 GPRESSAVG: 318200 11.1812 -9.16356 10.4786 -13.6506 -42.7486 -9.84262 6.01718 -10.3607 -2.42105 TIMING: 318200 CPU: 992.114, 0.00310464/step Wall: 992.114, 0.00310464/step, 4.03758 hours remaining, 233.527344 MB of memory in use. ENERGY: 318200 3966.5087 20528.1166 14462.8498 241.0634 -203437.9300 3032.7481 0.0000 0.0000 52060.4895 -109146.1539 299.1923 -161206.6434 -108777.1826 299.2838 9.3079 29.8852 761649.9401 -11.3715 -11.3295 PRESSURE: 318400 -169.347 264.521 181.347 264.521 -148.149 -58.4449 181.347 -58.4444 -239.704 GPRESSURE: 318400 -169.045 263.892 181.407 181.425 -17.1499 -27.2375 81.5504 -158.436 -296.126 PRESSAVG: 318400 -33.501 7.9305 40.897 7.93051 24.7526 -7.72169 40.8971 -7.72168 -17.7304 GPRESSAVG: 318400 -34.1179 7.71131 40.0585 7.61795 24.662 -6.92231 45.0534 -6.7392 -17.6959 TIMING: 318400 CPU: 992.733, 0.00309648/step Wall: 992.733, 0.00309648/step, 4.02679 hours remaining, 233.527344 MB of memory in use. ENERGY: 318400 4010.2206 20616.9260 14480.5280 249.0200 -203049.4448 2924.4678 0.0000 0.0000 51932.6908 -108835.5915 298.4579 -160768.2823 -108477.7959 299.3193 -185.7333 -160.7736 765623.8827 -8.8263 -9.0506 PRESSURE: 318600 -92.691 -3.80678 67.528 -3.80629 182.525 137.024 67.5279 137.023 221.344 GPRESSURE: 318600 26.4085 -5.62753 41.364 8.96717 139.554 97.0377 120.972 169.578 231.785 PRESSAVG: 318600 -55.6046 28.9632 -24.019 28.9631 8.63791 -19.5467 -24.019 -19.5466 -5.24845 GPRESSAVG: 318600 -54.0059 27.7709 -21.5052 28.9127 6.61203 -19.5986 -26.7319 -18.0449 -5.09637 TIMING: 318600 CPU: 993.357, 0.00311697/step Wall: 993.357, 0.00311697/step, 4.05327 hours remaining, 233.527344 MB of memory in use. ENERGY: 318600 3882.3043 20671.4407 14485.9897 253.3847 -203177.4584 3064.9595 0.0000 0.0000 52082.5103 -108736.8693 299.3189 -160819.3796 -108366.5406 299.7558 103.7258 132.5825 765737.5595 -17.4050 -17.4967 PRESSURE: 318800 43.2947 80.1555 -285.122 80.156 -62.4057 137.074 -285.122 137.074 -128.173 GPRESSURE: 318800 25.8162 147.414 -275.492 48.2087 35.7351 151.828 -282.083 72.5644 -125.664 PRESSAVG: 318800 -20.3193 6.87587 -13.1822 6.87583 10.3151 -12.4936 -13.1822 -12.4935 27.4206 GPRESSAVG: 318800 -21.0697 6.47438 -16.2521 7.46156 11.0361 -12.5061 -11.4301 -12.6193 27.3096 TIMING: 318800 CPU: 993.978, 0.00310601/step Wall: 993.978, 0.00310601/step, 4.03885 hours remaining, 233.527344 MB of memory in use. ENERGY: 318800 4043.7458 20708.3391 14419.8428 268.1910 -203296.9940 3078.2313 0.0000 0.0000 51882.1356 -108896.5084 298.1673 -160778.6440 -108541.6182 299.3378 -49.0948 -21.3711 764951.0054 5.8055 5.7587 PRESSURE: 319000 -287.655 -117.697 42.8954 -117.697 164.589 137.372 42.8959 137.372 347.806 GPRESSURE: 319000 -280.254 -43.367 68.5002 -76.7943 307.523 79.4606 15.8494 69.1731 295.037 PRESSAVG: 319000 -72.5739 5.51808 27.8072 5.5181 75.3844 4.54581 27.8072 4.54585 18.3357 GPRESSAVG: 319000 -72.7284 6.01686 29.0475 5.38653 75.6012 5.17829 27.943 1.99345 18.5536 TIMING: 319000 CPU: 994.602, 0.00312033/step Wall: 994.602, 0.00312033/step, 4.0573 hours remaining, 233.527344 MB of memory in use. ENERGY: 319000 3951.4880 20428.2604 14550.2503 268.3737 -203678.2298 3153.8701 0.0000 0.0000 52294.2454 -109031.7418 300.5357 -161325.9872 -108666.7065 299.4367 74.9134 107.4355 763554.4072 7.0487 7.1421 PRESSURE: 319200 184.968 58.2616 88.3911 58.2614 361.515 30.8428 88.3908 30.8426 293.674 GPRESSURE: 319200 272.572 36.7794 87.4119 122.591 367.645 81.3221 24.5454 22.7655 295.749 PRESSAVG: 319200 -16.5539 -35.7216 28.107 -35.7216 -29.4096 72.1109 28.107 72.1108 4.69825 GPRESSAVG: 319200 -16.7182 -35.784 28.0043 -34.7007 -29.3377 70.6357 27.006 76.6234 4.4649 TIMING: 319200 CPU: 995.226, 0.0031187/step Wall: 995.226, 0.0031187/step, 4.055 hours remaining, 233.527344 MB of memory in use. ENERGY: 319200 4066.4194 20489.6488 14478.2772 246.7098 -203430.1036 3030.3637 0.0000 0.0000 52092.3817 -109026.3029 299.3756 -161118.6847 -108663.1978 299.3764 280.0525 311.9889 762344.7225 -13.7551 -13.8637 PRESSURE: 319400 -372.66 -57.5243 49.6608 -57.5239 -325.828 -43.4244 49.6608 -43.4258 -467.403 GPRESSURE: 319400 -351.095 -27.6586 143.292 -83.5505 -382.243 -145.426 53.4955 14.6634 -370.066 PRESSAVG: 319400 34.908 33.0358 87.4619 33.0359 -15.4936 11.2165 87.4618 11.2166 -13.7132 GPRESSAVG: 319400 35.126 33.6163 88.5224 32.1021 -15.6196 12.4471 88.7222 8.83982 -14.1913 TIMING: 319400 CPU: 995.847, 0.00310779/step Wall: 995.847, 0.00310779/step, 4.04065 hours remaining, 233.527344 MB of memory in use. ENERGY: 319400 4056.3607 20450.6759 14473.5101 254.8118 -202661.3334 2258.8410 0.0000 0.0000 51977.0665 -109190.0674 298.7129 -161167.1339 -108825.8551 299.0770 -388.6303 -367.8012 764582.3919 1.9004 1.7717 PRESSURE: 319600 -218.681 -236.014 16.1026 -236.014 -209.815 294.078 16.1034 294.079 43.4349 GPRESSURE: 319600 -175.489 -159.69 36.0617 -167.277 -177.328 340.694 -18.2052 241.674 42.6597 PRESSAVG: 319600 -3.83689 9.78419 21.9817 9.78423 19.235 22.9194 21.9817 22.9194 -2.83217 GPRESSAVG: 319600 -4.34001 11.0941 21.1034 10.5601 19.0505 22.7504 21.439 23.9421 -2.36776 TIMING: 319600 CPU: 996.468, 0.00310524/step Wall: 996.468, 0.00310524/step, 4.03715 hours remaining, 233.527344 MB of memory in use. ENERGY: 319600 3998.0380 20474.0039 14420.5281 260.5296 -203047.8449 2592.0157 0.0000 0.0000 52353.5887 -108949.1409 300.8768 -161302.7296 -108577.5056 299.3676 -128.3536 -103.3858 764694.0867 4.1886 4.1142 PRESSURE: 319800 150.193 86.658 144.866 86.6586 169.17 114.969 144.865 114.969 312.959 GPRESSURE: 319800 186.775 89.6191 95.526 101.668 250.815 46.8456 115.286 73.1385 265.027 PRESSAVG: 319800 -4.69402 36.9432 8.0007 36.9432 -30.1379 10.6595 8.00062 10.6595 28.2964 GPRESSAVG: 319800 -4.24645 37.3171 6.90427 37.3553 -30.3301 10.4133 7.14583 8.49376 28.0915 TIMING: 319800 CPU: 997.091, 0.00311126/step Wall: 997.091, 0.00311125/step, 4.0448 hours remaining, 233.527344 MB of memory in use. ENERGY: 319800 4016.6575 20544.5437 14437.2381 246.6706 -203062.9368 2678.5410 0.0000 0.0000 52147.5143 -108991.7715 299.6925 -161139.2858 -108636.0368 299.3580 210.7739 234.2057 763538.8932 -2.1785 -2.1617 PRESSURE: 320000 -176.702 -283.047 -132.132 -283.047 -10.606 37.6335 -132.133 37.6334 -73.1357 GPRESSURE: 320000 -115.605 -194.211 -44.0796 -238.505 -69.8886 134.359 -178.467 -12.8004 -9.30458 PRESSAVG: 320000 -0.952144 -3.78353 -3.33004 -3.78353 -28.5467 26.0526 -3.33003 26.0526 1.25868 GPRESSAVG: 320000 -0.205942 -5.64643 -1.48164 -3.7121 -28.4354 26.7516 -4.16326 27.9089 0.640224 TIMING: 320000 CPU: 997.715, 0.00312268/step Wall: 997.715, 0.00312268/step, 4.05948 hours remaining, 233.527344 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: 320000 4049.1818 20570.8902 14459.5328 259.0192 -203326.9935 2846.0104 0.0000 0.0000 52212.6665 -108929.6925 300.0669 -161142.3590 -108560.3567 299.6684 -86.8145 -64.9326 763456.2755 -9.4134 -9.3337 PRESSURE: 320200 135.773 129.255 -109.192 129.255 -67.7459 183.138 -109.192 183.137 -176.238 GPRESSURE: 320200 128.525 56.5096 -175.157 110.783 50.326 100.955 -191.274 133.563 -197.505 PRESSAVG: 320200 65.6113 25.1309 -7.2383 25.1309 -55.9665 42.3894 -7.23826 42.3893 -1.68651 GPRESSAVG: 320200 63.7509 26.3333 -8.17943 23.9544 -55.1775 40.1221 -5.81772 41.7516 -0.756416 TIMING: 320200 CPU: 998.339, 0.00311803/step Wall: 998.339, 0.00311803/step, 4.05326 hours remaining, 233.527344 MB of memory in use. ENERGY: 320200 4018.7058 20659.2685 14441.2141 248.2515 -203520.9691 3120.0215 0.0000 0.0000 52164.6548 -108868.8529 299.7910 -161033.5077 -108521.2543 299.8920 -36.0703 -6.2180 763940.0859 2.6528 2.6057 LDB: ============= START OF LOAD BALANCING ============== 1010.82 LDB: ============== END OF LOAD BALANCING =============== 1010.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1010.82 LDB: ============= START OF LOAD BALANCING ============== 1011.13 LDB: Largest compute 7052 load 0.029592 is 15.2% of average load 0.194839 LDB: Average compute 0.004399 is 2.3% of average load 0.194839 LDB: TIME 1011.14 LOAD: AVG 0.194839 MAX 0.216553 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.039 MB LDB: TIME 1011.14 LOAD: AVG 0.194839 MAX 0.216553 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.039 MB LDB: TIME 1011.14 LOAD: AVG 0.194839 MAX 0.216553 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.039 MB LDB: ============== END OF LOAD BALANCING =============== 1011.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1011.14 PRESSURE: 320400 -13.3899 51.9895 -159.736 51.9894 -233.224 199.099 -159.735 199.099 162.447 GPRESSURE: 320400 -19.05 76.2994 -268.988 97.8846 -121.872 279.393 -144.084 230.153 123.84 PRESSAVG: 320400 61.3839 2.84947 -19.644 2.84949 -76.7074 58.079 -19.644 58.079 26.7951 GPRESSAVG: 320400 63.3781 2.05441 -18.2141 4.06588 -77.4938 58.8178 -20.042 57.2047 25.4378 TIMING: 320400 CPU: 998.977, 0.00319159/step Wall: 998.977, 0.00319159/step, 4.14871 hours remaining, 235.582031 MB of memory in use. ENERGY: 320400 3993.7748 20432.6631 14475.8106 230.4665 -203507.7154 3017.0640 0.0000 0.0000 52180.6050 -109177.3314 299.8827 -161357.9364 -108816.3346 299.8894 -28.0559 -5.6940 762491.2183 3.8239 3.7740 PRESSURE: 320600 199.561 -49.1171 -81.1485 -49.1162 81.2896 70.1368 -81.1492 70.1363 250.166 GPRESSURE: 320600 201.839 80.6539 -144.704 -161.115 170.36 142.252 -25.2072 84.4286 246.797 PRESSAVG: 320600 60.5615 -44.5717 7.26399 -44.5717 -77.3678 16.4624 7.26394 16.4623 -4.93335 GPRESSAVG: 320600 58.6223 -42.1567 6.88593 -45.122 -76.6837 16.5906 8.78321 16.7412 -3.68844 TIMING: 320600 CPU: 999.597, 0.00309891/step Wall: 999.597, 0.00309891/step, 4.02807 hours remaining, 235.785156 MB of memory in use. ENERGY: 320600 3936.3941 20604.2813 14395.0407 254.0278 -203461.6078 2873.5663 0.0000 0.0000 52152.1951 -109246.1026 299.7194 -161398.2977 -108881.8047 298.9856 177.0054 206.3321 761821.0181 -7.2465 -7.2499 PRESSURE: 320800 10.271 39.9166 151.689 39.9158 77.0205 -123.037 151.689 -123.036 116.197 GPRESSURE: 320800 143.696 15.3587 178.04 113.131 43.1166 -151.682 150.995 -69.9952 78.5471 PRESSAVG: 320800 46.6759 -78.5473 -27.703 -78.5472 -100.961 33.0071 -27.703 33.0071 14.5425 GPRESSAVG: 320800 47.6522 -80.0234 -27.0637 -79.5696 -101.561 32.9494 -28.4151 33.5669 14.2737 TIMING: 320800 CPU: 1000.21, 0.0030887/step Wall: 1000.21, 0.0030887/step, 4.01462 hours remaining, 235.785156 MB of memory in use. ENERGY: 320800 4062.0462 20559.9093 14454.7676 238.8431 -203377.0117 3033.5369 0.0000 0.0000 51720.3663 -109307.5422 297.2377 -161027.9086 -108958.9619 298.8221 67.8296 88.4534 763877.9259 -13.2474 -13.2116 PRESSURE: 321000 265.957 125.779 -85.9817 125.779 -80.5615 91.0816 -85.9817 91.0811 24.0608 GPRESSURE: 321000 216.322 111.514 -50.2269 82.6586 8.31647 135.571 -86.7336 77.8758 74.5786 PRESSAVG: 321000 84.422 -38.8326 -80.3782 -38.8326 -79.1605 -46.7595 -80.3782 -46.7595 6.4038 GPRESSAVG: 321000 84.5432 -39.5184 -79.6794 -38.6433 -79.2601 -46.2858 -81.1242 -46.8521 6.45203 TIMING: 321000 CPU: 1000.84, 0.00310421/step Wall: 1000.84, 0.00310421/step, 4.03461 hours remaining, 235.785156 MB of memory in use. ENERGY: 321000 4010.3059 20752.3936 14551.3521 246.4824 -203472.6827 2877.0657 0.0000 0.0000 51949.8724 -109085.2106 298.5566 -161035.0830 -108720.7712 299.2135 69.8187 99.7389 762186.7980 3.8885 3.9117 PRESSURE: 321200 393.478 -179.068 102.285 -179.067 135.44 81.6127 102.285 81.6127 -311.228 GPRESSURE: 321200 404.19 -104.744 99.194 -133.813 178.01 138.115 49.2172 79.6541 -278.46 PRESSAVG: 321200 66.4723 -58.7112 -18.5699 -58.7111 -71.9604 -0.374282 -18.5699 -0.374329 15.0955 GPRESSAVG: 321200 65.5181 -58.5871 -18.6306 -58.4421 -71.688 -1.49938 -18.964 -0.509129 15.318 TIMING: 321200 CPU: 1001.46, 0.00310571/step Wall: 1001.46, 0.00310571/step, 4.03638 hours remaining, 235.785156 MB of memory in use. ENERGY: 321200 3971.9286 20496.6102 14480.0024 231.3895 -203131.9002 2745.7459 0.0000 0.0000 51915.1374 -109291.0863 298.3570 -161206.2237 -108929.3365 299.2175 72.5636 101.2465 764045.6514 3.2025 3.0493 PRESSURE: 321400 -233.509 -95.081 71.9986 -95.0795 349.903 -90.5083 71.998 -90.5079 -342.099 GPRESSURE: 321400 -161.493 -136.663 22.8751 22.8767 241.75 -79.6351 101.243 -41.5387 -239.827 PRESSAVG: 321400 48.0318 -61.7207 -35.3542 -61.7207 -85.9251 52.4317 -35.3541 52.4318 -16.2721 GPRESSAVG: 321400 48.8513 -60.2119 -36.0545 -61.7406 -85.738 54.468 -33.8501 53.1987 -17.6096 TIMING: 321400 CPU: 1002.08, 0.00309567/step Wall: 1002.08, 0.00309567/step, 4.02317 hours remaining, 235.785156 MB of memory in use. ENERGY: 321400 4039.3762 20615.3570 14396.9871 237.1903 -203423.6629 2869.3745 0.0000 0.0000 51913.8411 -109351.5368 298.3496 -161265.3779 -108980.5765 298.3987 -75.2351 -53.1903 763712.1810 -18.0551 -18.1654 PRESSURE: 321600 447.362 57.2001 -182.632 57.2007 -88.7582 -15.2714 -182.632 -15.2709 -178.542 GPRESSURE: 321600 369.173 52.6931 -141.35 110.722 11.9589 -116.472 -122.206 -44.1763 -139.889 PRESSAVG: 321600 22.103 -13.6631 -55.0035 -13.6631 -29.468 53.6457 -55.0034 53.6455 17.0691 GPRESSAVG: 321600 21.9425 -15.5153 -55.0574 -12.7049 -30.0214 51.2656 -54.5662 52.6574 17.4685 TIMING: 321600 CPU: 1002.7, 0.00310662/step Wall: 1002.7, 0.00310662/step, 4.03722 hours remaining, 235.785156 MB of memory in use. ENERGY: 321600 3989.7106 20464.5585 14479.8839 225.3298 -203786.2627 3157.0668 0.0000 0.0000 52036.3934 -109433.3196 299.0539 -161469.7131 -109070.6564 298.2744 60.0206 80.4142 762697.8576 3.2347 3.1299 PRESSURE: 321800 -244.291 29.5389 0.186375 29.5385 -117.454 14.8961 0.186836 14.8966 -5.67113 GPRESSURE: 321800 -135.398 -24.6179 20.8437 53.0046 -122.038 165.81 -30.7165 18.6573 -20.4574 PRESSAVG: 321800 61.9694 -17.181 -10.7729 -17.181 -44.6101 39.3295 -10.7728 39.3295 -9.44187 GPRESSAVG: 321800 63.1075 -15.0479 -11.7095 -17.2776 -45.2606 40.3744 -8.67313 40.466 -9.80432 TIMING: 321800 CPU: 1003.32, 0.00310578/step Wall: 1003.32, 0.00310578/step, 4.03596 hours remaining, 235.785156 MB of memory in use. ENERGY: 321800 4059.3225 20682.4259 14498.5289 244.5908 -203651.8760 2887.5444 0.0000 0.0000 51842.4599 -109437.0035 297.9393 -161279.4634 -109072.9671 298.2759 -122.4722 -92.6312 763367.0627 2.6391 2.6809 PRESSURE: 322000 222.807 -8.40519 32.1244 -8.40541 -81.0577 -229.731 32.1248 -229.73 61.3439 GPRESSURE: 322000 275.029 98.3785 36.7658 -65.3914 -66.1313 -284.589 47.5869 -189.38 59.1877 PRESSAVG: 322000 68.3754 -39.3662 -19.1364 -39.3662 -54.3578 -1.21789 -19.1364 -1.21792 -9.80408 GPRESSAVG: 322000 66.3711 -42.5381 -17.2819 -37.8304 -52.3434 -1.25784 -22.2833 -1.12918 -9.75174 TIMING: 322000 CPU: 1003.94, 0.00310847/step Wall: 1003.94, 0.00310847/step, 4.03928 hours remaining, 235.785156 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: 322000 4040.9636 20628.6842 14498.1797 261.6245 -204193.1115 3425.1114 0.0000 0.0000 52013.3172 -109325.2310 298.9212 -161338.5482 -108965.9970 298.5176 67.6978 89.3618 762612.0571 1.4045 1.4253 PRESSURE: 322200 -171.813 -222.106 89.6834 -222.106 140.855 -197.104 89.6828 -197.105 97.9373 GPRESSURE: 322200 -123.643 -145.196 58.383 -153.105 136.288 -146.007 137.178 -151.456 129.918 PRESSAVG: 322200 108.802 -27.2879 -12.7791 -27.2878 -101.742 -10.1833 -12.7791 -10.1833 -12.6362 GPRESSAVG: 322200 110.305 -27.0018 -15.2232 -27.5736 -104.079 -7.37886 -11.0783 -11.7208 -11.6348 TIMING: 322200 CPU: 1004.56, 0.00311743/step Wall: 1004.56, 0.00311743/step, 4.05075 hours remaining, 235.785156 MB of memory in use. ENERGY: 322200 4018.6990 20589.7844 14508.0588 256.8500 -203393.1861 2666.6919 0.0000 0.0000 52117.2656 -109235.8365 299.5186 -161353.1021 -108867.6965 299.3937 22.3266 47.5210 762668.9477 -1.8587 -1.8027 PRESSURE: 322400 256.874 -77.0952 -52.4429 -77.0951 -138.386 28.243 -52.4437 28.242 -288.063 GPRESSURE: 322400 243.13 -37.0039 -52.5729 -88.607 -95.4225 5.85739 3.35502 -47.4844 -245.59 PRESSAVG: 322400 13.4194 -14.3499 12.6185 -14.3499 -4.89415 -35.3553 12.6185 -35.3553 -9.2317 GPRESSAVG: 322400 12.2399 -15.2049 14.0177 -14.3984 -3.28312 -36.3389 11.8003 -36.3324 -9.25284 TIMING: 322400 CPU: 1005.19, 0.00311067/step Wall: 1005.19, 0.00311067/step, 4.0418 hours remaining, 235.785156 MB of memory in use. ENERGY: 322400 4000.9446 20653.0431 14474.6910 258.5234 -203550.4447 2896.6409 0.0000 0.0000 52068.9443 -109197.6574 299.2409 -161266.6017 -108833.5538 298.5537 -56.5248 -32.6274 761832.3679 -0.2355 -0.0987 PRESSURE: 322600 -194.528 124.15 -96.1186 124.15 -118.36 -18.6986 -96.119 -18.6988 -6.75512 GPRESSURE: 322600 -185.805 79.2689 -94.3267 262.043 -49.79 2.68822 -187.288 51.6878 0.724091 PRESSAVG: 322600 15.5794 -19.6579 39.8734 -19.6579 -15.6946 19.6546 39.8734 19.6546 0.922665 GPRESSAVG: 322600 15.3658 -17.8109 40.8129 -20.0793 -14.4583 18.9811 40.6679 22.0253 -0.356304 TIMING: 322600 CPU: 1005.81, 0.00310617/step Wall: 1005.81, 0.00310617/step, 4.03578 hours remaining, 235.785156 MB of memory in use. ENERGY: 322600 3988.7667 20603.1966 14435.7294 239.2655 -203436.3721 2904.9563 0.0000 0.0000 52341.1335 -108923.3241 300.8052 -161264.4575 -108562.5106 299.2322 -106.5475 -78.2903 764585.7909 0.2691 0.1838 PRESSURE: 322800 -86.7208 -132.76 213.597 -132.761 -267.481 -133.318 213.597 -133.318 -56.6992 GPRESSURE: 322800 -23.3196 -129.141 232.943 -96.2669 -214.925 -175.981 150.77 -79.7784 -98.1958 PRESSAVG: 322800 51.7883 -18.4272 64.9089 -18.4272 -39.4706 -53.3963 64.9089 -53.3963 -11.2871 GPRESSAVG: 322800 52.6947 -18.1676 63.503 -18.8016 -40.7818 -53.5437 65.6287 -53.9694 -10.4999 TIMING: 322800 CPU: 1006.43, 0.00310913/step Wall: 1006.43, 0.00310913/step, 4.03944 hours remaining, 235.785156 MB of memory in use. ENERGY: 322800 3956.0281 20683.2719 14455.0358 254.6472 -203046.6244 2617.6875 0.0000 0.0000 52043.0250 -109036.9289 299.0920 -161079.9539 -108673.6267 299.0907 -136.9671 -112.1468 765139.4526 0.3435 0.4710 PRESSURE: 323000 8.44065 -66.7866 118.779 -66.7858 415.021 151.59 118.78 151.589 67.5843 GPRESSURE: 323000 140.361 -181.502 224.129 -64.8304 362.583 246.622 193.316 68.0877 90.7197 PRESSAVG: 323000 58.4024 -64.4284 -14.5132 -64.4283 -30.956 25.9181 -14.5132 25.9181 12.9145 GPRESSAVG: 323000 58.7743 -64.4412 -12.7555 -65.3714 -30.7521 26.8614 -15.3678 25.5411 12.6539 TIMING: 323000 CPU: 1007.05, 0.00309318/step Wall: 1007.05, 0.00309318/step, 4.01855 hours remaining, 235.785156 MB of memory in use. ENERGY: 323000 4007.8955 20607.4029 14441.6628 249.8321 -203662.4738 3235.6356 0.0000 0.0000 52169.6063 -108950.4386 299.8194 -161120.0449 -108591.5835 299.2195 163.6820 197.8880 762637.8497 13.4536 13.5587 PRESSURE: 323200 -139.836 117.34 252.406 117.341 36.3032 -141.919 252.406 -141.919 -65.5983 GPRESSURE: 323200 -67.9606 133.548 280.327 238.15 75.0018 -131.23 266.447 -120.989 -100.215 PRESSAVG: 323200 36.9733 -52.4605 25.0938 -52.4605 -27.6468 17.0523 25.0939 17.0523 1.89448 GPRESSAVG: 323200 36.7378 -50.8712 25.1834 -50.2194 -27.88 17.821 23.7676 14.5345 2.02373 TIMING: 323200 CPU: 1007.67, 0.00309927/step Wall: 1007.67, 0.00309927/step, 4.02629 hours remaining, 235.785156 MB of memory in use. ENERGY: 323200 4060.3811 20503.9593 14527.8180 272.4303 -203735.7709 3179.1115 0.0000 0.0000 52033.5559 -109158.5148 299.0376 -161192.0706 -108802.6295 299.6611 -56.3771 -31.0578 763355.5162 3.7403 3.6272 PRESSURE: 323400 115.83 309.253 51.42 309.253 -72.4748 -13.6583 51.4198 -13.6583 -321.376 GPRESSURE: 323400 109.666 214.685 -72.6406 235.333 -95.8124 -3.97376 86.6053 -25.0722 -231.421 PRESSAVG: 323400 -24.1994 -35.9846 70.0161 -35.9847 28.2481 4.56547 70.016 4.56555 -1.44615 GPRESSAVG: 323400 -25.0451 -38.5254 68.3952 -35.3179 28.3985 2.58729 70.1893 6.11379 -0.614776 TIMING: 323400 CPU: 1008.29, 0.00309546/step Wall: 1008.29, 0.00309546/step, 4.02118 hours remaining, 235.785156 MB of memory in use. ENERGY: 323400 4040.1025 20578.9203 14355.9940 242.7675 -203681.2682 3049.4574 0.0000 0.0000 52276.7705 -109137.2559 300.4353 -161414.0264 -108769.2504 299.1360 -92.6736 -72.5226 763661.4282 0.8675 0.9129 PRESSURE: 323600 -93.8492 5.64321 -36.6995 5.64388 -220.683 -98.2104 -36.6994 -98.2108 -335.667 GPRESSURE: 323600 -77.3654 -28.0575 -38.8529 81.9291 -209.148 -107.392 -11.5469 -101.05 -284.03 PRESSAVG: 323600 -26.8358 -55.6785 38.2565 -55.6785 21.2419 27.5293 38.2564 27.5294 -1.30554 GPRESSAVG: 323600 -26.2533 -54.2764 40.0143 -59.0946 21.5073 27.4989 39.1468 28.1391 -2.43695 TIMING: 323600 CPU: 1008.91, 0.00309603/step Wall: 1008.91, 0.00309603/step, 4.02174 hours remaining, 235.785156 MB of memory in use. ENERGY: 323600 3976.5633 20521.0465 14505.6203 263.6699 -203121.3940 2654.3751 0.0000 0.0000 52066.8094 -109133.3095 299.2287 -161200.1188 -108760.6641 299.4943 -216.7330 -190.1810 763629.0720 -2.2998 -2.3943 PRESSURE: 323800 -153.362 -12.9424 -166.26 -12.9424 -254.585 -214.461 -166.259 -214.462 250.902 GPRESSURE: 323800 -183.178 -80.0175 -162.845 85.0635 -133.857 -162.249 -92.0304 -260.667 236.881 PRESSAVG: 323800 13.191 -10.5295 37.2724 -10.5295 7.52126 -15.2606 37.2724 -15.2605 21.9799 GPRESSAVG: 323800 12.1706 -11.7785 36.725 -8.6015 7.88498 -14.7771 35.6524 -14.2838 22.3079 TIMING: 323800 CPU: 1009.53, 0.00311097/step Wall: 1009.53, 0.00311097/step, 4.04098 hours remaining, 235.785156 MB of memory in use. ENERGY: 323800 4001.2684 20503.4636 14429.9610 259.6806 -203252.3236 2674.1967 0.0000 0.0000 52119.8773 -109263.8760 299.5337 -161383.7533 -108901.3217 298.7777 -52.3480 -26.7181 762014.5068 14.2307 14.1212 PRESSURE: 324000 -94.5044 139.374 -30.3361 139.374 83.3113 -42.0057 -30.3362 -42.0053 255.022 GPRESSURE: 324000 -19.9034 148.33 -6.25288 -9.95556 99.0281 -54.3823 -54.4404 -150.786 254.254 PRESSAVG: 324000 -5.80121 -14.056 32.7529 -14.056 12.5287 25.3014 32.753 25.3014 29.492 GPRESSAVG: 324000 -5.95855 -13.3024 30.7005 -14.3456 12.2718 25.1661 33.8818 23.2968 29.7641 TIMING: 324000 CPU: 1010.15, 0.00310892/step Wall: 1010.15, 0.00310892/step, 4.03814 hours remaining, 235.785156 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: 324000 4011.6378 20634.2228 14456.9431 259.7985 -203367.1223 2911.0793 0.0000 0.0000 51764.1574 -109329.2834 297.4893 -161093.4408 -108973.2375 299.1160 81.2762 111.1262 762245.2674 12.0732 12.0258 PRESSURE: 324200 162.31 -28.9481 211.21 -28.9476 -189.646 -121.128 211.21 -121.127 214.822 GPRESSURE: 324200 142.736 52.9781 209.14 -59.4623 -126.179 -158.101 307.73 -122.898 259.721 PRESSAVG: 324200 6.39037 -13.7862 31.0101 -13.7861 21.2382 -19.1712 31.0101 -19.1712 5.61034 GPRESSAVG: 324200 5.91216 -12.3275 32.114 -13.6517 21.7117 -18.5871 30.3432 -19.2305 5.61894 TIMING: 324200 CPU: 1010.77, 0.00311662/step Wall: 1010.77, 0.00311662/step, 4.04797 hours remaining, 235.785156 MB of memory in use. ENERGY: 324200 4032.6206 20607.4060 14434.4513 240.1027 -202892.8364 2692.8359 0.0000 0.0000 51666.4824 -109218.9376 296.9280 -160885.4200 -108866.6006 298.5821 62.4956 92.0926 763492.7525 11.0796 11.0809 LDB: ============= START OF LOAD BALANCING ============== 1023.25 LDB: ============== END OF LOAD BALANCING =============== 1023.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1023.25 LDB: ============= START OF LOAD BALANCING ============== 1023.56 LDB: Largest compute 7052 load 0.029576 is 15.2% of average load 0.194812 LDB: Average compute 0.004384 is 2.3% of average load 0.194812 LDB: TIME 1023.57 LOAD: AVG 0.194812 MAX 0.216431 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.527 MB LDB: TIME 1023.57 LOAD: AVG 0.194812 MAX 0.216431 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.527 MB LDB: TIME 1023.57 LOAD: AVG 0.194812 MAX 0.216431 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.527 MB LDB: ============== END OF LOAD BALANCING =============== 1023.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1023.58 PRESSURE: 324400 4.868 -48.3898 6.6205 -48.3906 363.16 -112.442 6.62099 -112.442 3.00419 GPRESSURE: 324400 107.056 16.3606 30.3406 -123.791 323.468 -111.974 -274.859 3.74836 30.9166 PRESSAVG: 324400 -25.9742 -38.8432 10.6142 -38.8432 -8.39464 -11.7203 10.6142 -11.7203 18.0249 GPRESSAVG: 324400 -25.5137 -38.9013 12.6798 -39.3181 -9.00104 -13.6611 11.3979 -8.96076 18.0924 TIMING: 324400 CPU: 1011.41, 0.00318345/step Wall: 1011.41, 0.00318345/step, 4.13459 hours remaining, 234.093750 MB of memory in use. ENERGY: 324400 4008.1760 20611.4555 14499.8173 279.1301 -203131.5132 3003.6839 0.0000 0.0000 51619.8595 -109109.3910 296.6600 -160729.2505 -108756.9756 299.2204 123.6775 153.8137 764793.1600 -5.4480 -5.4741 PRESSURE: 324600 -272.541 -68.8349 -109.328 -68.8348 89.4943 -72.8721 -109.329 -72.871 176.257 GPRESSURE: 324600 -175.911 -65.3524 -182.81 96.6443 9.47987 18.768 -13.3773 -138.461 232.913 PRESSAVG: 324600 -14.7258 -2.31583 20.6436 -2.31583 -8.14712 14.0174 20.6436 14.0174 -6.39421 GPRESSAVG: 324600 -14.58 -3.8477 19.0825 -3.37838 -7.17892 15.9533 21.3684 11.3314 -7.14216 TIMING: 324600 CPU: 1012.03, 0.00312506/step Wall: 1012.03, 0.00312506/step, 4.05858 hours remaining, 234.292969 MB of memory in use. ENERGY: 324600 3970.2114 20537.8308 14466.7154 248.6123 -203198.4061 2677.4187 0.0000 0.0000 52160.2317 -109137.3858 299.7656 -161297.6175 -108771.6660 299.0336 -2.2631 22.1606 762839.8239 -9.7557 -9.6337 PRESSURE: 324800 -381.195 14.1551 25.599 14.1557 -227.558 -283.835 25.5988 -283.836 -338.455 GPRESSURE: 324800 -344.549 73.6349 13.3412 -47.9239 -216.432 -339.179 171.874 -307.911 -307.032 PRESSAVG: 324800 -34.3239 -12.2075 24.6068 -12.2075 -6.86109 -25.0988 24.6068 -25.0989 -3.80667 GPRESSAVG: 324800 -34.212 -13.8636 24.9173 -9.25759 -6.98149 -24.3907 23.8454 -25.4257 -4.38401 TIMING: 324800 CPU: 1012.66, 0.00312563/step Wall: 1012.66, 0.00312563/step, 4.05915 hours remaining, 234.292969 MB of memory in use. ENERGY: 324800 3971.6938 20426.1387 14436.2082 252.7644 -203207.0227 2765.9538 0.0000 0.0000 52309.4912 -109044.7726 300.6234 -161354.2638 -108673.5986 298.9671 -315.7362 -289.3376 762515.0421 -14.9972 -15.1925 PRESSURE: 325000 124.396 -152.26 122.478 -152.26 -103.371 -252.655 122.478 -252.655 -86.5313 GPRESSURE: 325000 106.007 -200.94 65.3186 -28.4157 -70.7232 -224.558 298.946 -378.823 -10.7238 PRESSAVG: 325000 -2.6776 1.19703 25.9547 1.197 31.2322 -46.7767 25.9547 -46.7767 -25.4335 GPRESSAVG: 325000 -3.79867 3.71119 25.0305 -0.641342 31.5526 -45.9973 26.1907 -46.1425 -23.7701 TIMING: 325000 CPU: 1013.28, 0.00310848/step Wall: 1013.28, 0.00310848/step, 4.03671 hours remaining, 234.292969 MB of memory in use. ENERGY: 325000 3958.6348 20557.1092 14444.3928 243.2050 -203199.1475 2857.8284 0.0000 0.0000 52069.7998 -109068.1775 299.2459 -161137.9772 -108708.1152 299.3010 -21.8355 8.1868 763821.5711 1.0404 1.3279 PRESSURE: 325200 225.469 27.5541 121.76 27.5539 214.718 -85.1543 121.759 -85.1542 173.144 GPRESSURE: 325200 282.016 86.0177 112.985 48.4851 264.572 -104.04 90.8525 52.4643 140.897 PRESSAVG: 325200 0.844605 -42.4074 31.1114 -42.4073 32.9885 -4.29629 31.1113 -4.29628 -12.5657 GPRESSAVG: 325200 0.193173 -44.3468 31.0733 -41.0006 33.3386 -7.14988 31.2959 -3.80201 -12.1559 TIMING: 325200 CPU: 1013.9, 0.00311352/step Wall: 1013.9, 0.00311352/step, 4.04308 hours remaining, 234.292969 MB of memory in use. ENERGY: 325200 4053.7245 20549.6918 14475.8948 237.8120 -203467.5293 3159.2598 0.0000 0.0000 51698.9351 -109292.2114 297.1145 -160991.1466 -108936.3573 298.8469 204.4433 229.1616 762846.8212 7.0891 7.1253 PRESSURE: 325400 99.8484 55.1924 332.553 55.1921 39.8572 10.261 332.552 10.2603 145.858 GPRESSURE: 325400 124.806 -16.509 401.393 64.8267 53.5012 -23.9997 314.7 49.8614 184.088 PRESSAVG: 325400 -16.6267 11.8939 13.2525 11.8939 37.503 -20.7316 13.2525 -20.7317 34.3355 GPRESSAVG: 325400 -15.4429 12.1362 14.4459 11.2029 36.8723 -19.6296 10.3412 -20.8282 33.3334 TIMING: 325400 CPU: 1014.53, 0.00311637/step Wall: 1014.53, 0.00311637/step, 4.04661 hours remaining, 234.292969 MB of memory in use. ENERGY: 325400 3938.6942 20560.8862 14471.1300 249.2000 -203259.8098 2789.6130 0.0000 0.0000 52042.7738 -109207.5127 299.0905 -161250.2865 -108829.2097 298.5274 95.1880 120.7985 762917.1390 18.4039 18.2542 PRESSURE: 325600 248.753 -47.8842 85.3092 -47.8845 138.977 -276.754 85.3088 -276.754 107.989 GPRESSURE: 325600 340.149 -92.7646 46.6911 -44.3414 115.134 -265.268 175.102 -285.194 101.253 PRESSAVG: 325600 68.5441 24.0289 89.0143 24.0289 -1.43596 -51.5489 89.0143 -51.5489 8.72348 GPRESSAVG: 325600 68.0189 25.1563 90.2497 22.6384 -1.38788 -51.1364 89.5575 -53.2555 9.45485 TIMING: 325600 CPU: 1015.15, 0.0031253/step Wall: 1015.15, 0.0031253/step, 4.05803 hours remaining, 234.292969 MB of memory in use. ENERGY: 325600 3965.5497 20644.1674 14494.7836 262.9805 -203916.6298 3173.7007 0.0000 0.0000 52380.7572 -108994.6907 301.0329 -161375.4479 -108630.4322 299.1839 165.2397 185.5121 762223.9228 25.2772 25.3619 PRESSURE: 325800 -411.711 181.844 -127.171 181.844 61.8621 290.784 -127.172 290.784 -98.1561 GPRESSURE: 325800 -408.906 88.6337 -197.154 144.173 93.478 347.406 -181.779 273.209 -53.8404 PRESSAVG: 325800 -13.6732 4.00953 13.1048 4.00954 -10.4509 -3.47627 13.1048 -3.47627 7.96462 GPRESSAVG: 325800 -13.1658 4.10371 12.5226 6.1356 -11.1076 -4.77028 12.7799 -3.17282 7.9615 TIMING: 325800 CPU: 1015.78, 0.00312431/step Wall: 1015.78, 0.00312431/step, 4.05657 hours remaining, 234.292969 MB of memory in use. ENERGY: 325800 4011.5050 20509.1548 14460.1001 248.8460 -203311.4864 2756.2100 0.0000 0.0000 52220.5482 -109105.1223 300.1122 -161325.6705 -108723.7427 299.4215 -149.3349 -123.0894 763096.8053 -5.3865 -5.4373 PRESSURE: 326000 -78.4203 -108.693 -5.88343 -108.694 102.555 -182.537 -5.88294 -182.538 242.549 GPRESSURE: 326000 -105.944 -133.725 -18.3279 -205.213 182.232 -159.864 104.97 -174.16 273.992 PRESSAVG: 326000 26.0939 10.5403 10.8977 10.5402 -23.8442 30.0721 10.8977 30.072 13.8932 GPRESSAVG: 326000 25.3966 10.391 8.97138 9.58527 -24.1865 29.4597 11.0887 30.7943 14.824 TIMING: 326000 CPU: 1016.4, 0.00313032/step Wall: 1016.4, 0.00313031/step, 4.06419 hours remaining, 234.292969 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: 326000 4053.0944 20620.6933 14434.6317 256.4045 -203343.8438 2862.3212 0.0000 0.0000 51977.6913 -109139.0072 298.7165 -161116.6986 -108783.9426 298.6860 88.8944 116.7602 763473.8105 5.3810 5.3447 PRESSURE: 326200 102.57 90.3414 -85.8496 90.3403 -34.4376 -96.4936 -85.8487 -96.4935 364.232 GPRESSURE: 326200 -11.9082 57.6792 -55.4494 18.6665 110.506 -157.598 33.1693 -94.5549 426.703 PRESSAVG: 326200 -19.7127 26.4837 6.23611 26.4837 -11.6702 -8.98337 6.23605 -8.98342 -24.5974 GPRESSAVG: 326200 -18.6156 25.6263 6.44449 27.6183 -11.3219 -7.21775 7.77155 -9.64573 -26.0812 TIMING: 326200 CPU: 1017.03, 0.00312698/step Wall: 1017.03, 0.00312698/step, 4.05969 hours remaining, 234.292969 MB of memory in use. ENERGY: 326200 4018.3615 20669.4016 14455.3108 254.0898 -203100.7726 2680.8694 0.0000 0.0000 52226.9103 -108795.8291 300.1488 -161022.7394 -108434.4216 299.9068 144.1216 175.1003 763933.1692 -18.6601 -18.6729 PRESSURE: 326400 465.715 30.6469 13.9917 30.6478 357.639 -81.9549 13.9915 -81.9543 553.934 GPRESSURE: 326400 534.966 -118.057 24.1085 131.288 404.402 -32.8427 -98.2473 -41.7436 509.461 PRESSAVG: 326400 38.9542 -6.8952 -12.3582 -6.89517 6.34462 -0.138946 -12.3582 -0.138996 27.6374 GPRESSAVG: 326400 37.4934 -8.10324 -13.9975 -6.78923 6.42348 -0.945003 -12.2877 0.443291 29.0591 TIMING: 326400 CPU: 1017.65, 0.00311187/step Wall: 1017.65, 0.00311188/step, 4.03991 hours remaining, 234.292969 MB of memory in use. ENERGY: 326400 3983.5506 20492.0015 14474.3752 254.8845 -203619.9608 3397.8852 0.0000 0.0000 51926.2686 -109090.9952 298.4210 -161017.2638 -108733.5340 299.2894 459.0959 482.9431 762791.4706 24.3121 24.3253 PRESSURE: 326600 -192.273 17.6338 -75.9143 17.635 -225.971 -84.117 -75.9138 -84.1161 27.0546 GPRESSURE: 326600 -73.2257 31.9118 -66.948 -10.351 -195.699 -89.905 -31.7861 -49.9295 -30.8016 PRESSAVG: 326600 -22.7759 -21.7283 -29.6006 -21.7283 -12.3311 -3.30825 -29.6006 -3.30827 1.73196 GPRESSAVG: 326600 -22.949 -21.4096 -26.6 -21.0836 -11.528 -4.00548 -30.3293 -3.6116 1.46725 TIMING: 326600 CPU: 1018.27, 0.00310492/step Wall: 1018.27, 0.00310492/step, 4.03071 hours remaining, 234.292969 MB of memory in use. ENERGY: 326600 3920.6918 20469.8389 14417.5845 260.2432 -202981.4575 2693.6152 0.0000 0.0000 52122.8377 -109096.6460 299.5507 -161219.4837 -108733.1214 298.5238 -130.3965 -99.9088 764994.0289 -11.1250 -11.0032 PRESSURE: 326800 348.475 -170.097 -257.615 -170.097 -92.7431 106.959 -257.615 106.96 -315.33 GPRESSURE: 326800 273.358 -123.873 -178.325 -225.934 3.49887 117.129 -192.146 123.03 -261.143 PRESSAVG: 326800 14.3713 27.4229 7.77905 27.4229 -19.1322 46.5765 7.77908 46.5766 17.4533 GPRESSAVG: 326800 15.1815 28.1559 5.45533 26.3237 -20.7244 47.0068 7.2948 47.7916 18.1364 TIMING: 326800 CPU: 1018.9, 0.00314026/step Wall: 1018.9, 0.00314026/step, 4.0764 hours remaining, 234.292969 MB of memory in use. ENERGY: 326800 4041.0034 20377.8315 14401.0371 240.6183 -202830.1757 2631.6303 0.0000 0.0000 52055.1501 -109082.9050 299.1617 -161138.0551 -108719.1117 298.7580 -19.8658 5.2379 764607.7759 4.2308 4.1978 PRESSURE: 327000 -10.2244 129.743 158.574 129.742 -85.2129 -64.1125 158.574 -64.1122 -587.34 GPRESSURE: 327000 36.2547 39.0883 151.61 116.041 -103.64 -143.39 143.998 -142.855 -523.033 PRESSAVG: 327000 33.7958 39.8108 34.7447 39.8108 -21.6536 36.0228 34.7447 36.0228 26.3218 GPRESSAVG: 327000 33.9204 40.022 34.6146 37.6269 -20.9945 36.9907 35.6433 34.6241 25.8096 TIMING: 327000 CPU: 1019.52, 0.00311298/step Wall: 1019.52, 0.00311298/step, 4.04082 hours remaining, 234.292969 MB of memory in use. ENERGY: 327000 4042.4962 20432.6233 14462.5343 247.9454 -203175.4889 2653.7631 0.0000 0.0000 52223.9495 -109112.1772 300.1318 -161336.1266 -108748.9939 298.9215 -227.5925 -196.8060 764136.1582 12.8213 12.9118 PRESSURE: 327200 -71.0854 -81.4872 -407.33 -81.4876 -420.581 198.814 -407.33 198.814 -135.287 GPRESSURE: 327200 5.24789 -8.45381 -406.806 -78.8027 -422.124 166.232 -432.939 93.3007 -113.184 PRESSAVG: 327200 4.90971 -18.1337 -15.4026 -18.1337 -3.91523 3.22699 -15.4026 3.22697 14.77 GPRESSAVG: 327200 4.66249 -18.5501 -14.4199 -17.0511 -3.28586 1.79976 -16.7834 3.40014 14.0164 TIMING: 327200 CPU: 1020.15, 0.00311764/step Wall: 1020.15, 0.00311764/step, 4.0467 hours remaining, 234.292969 MB of memory in use. ENERGY: 327200 4015.6632 20488.6145 14424.7037 255.0539 -203775.2830 3145.7982 0.0000 0.0000 52143.0406 -109302.4090 299.6668 -161445.4496 -108928.6973 299.1186 -208.9846 -176.6868 765404.6142 5.2548 5.1310 PRESSURE: 327400 105.097 -10.3589 45.5458 -10.3589 59.6708 -0.860601 45.5464 -0.860183 617.654 GPRESSURE: 327400 245.019 -2.65671 148.204 -38.2535 54.8631 -54.3674 50.3048 136.953 564.801 PRESSAVG: 327400 -6.4451 -4.45693 44.0452 -4.45695 -7.27411 44.5534 44.0452 44.5534 -10.745 GPRESSAVG: 327400 -5.05736 -4.01836 43.7415 -2.10752 -8.70224 44.1432 45.0808 46.4199 -10.2047 TIMING: 327400 CPU: 1020.77, 0.00312419/step Wall: 1020.77, 0.00312419/step, 4.05503 hours remaining, 234.292969 MB of memory in use. ENERGY: 327400 4018.6309 20621.1883 14418.6739 234.2255 -203691.2977 3104.0371 0.0000 0.0000 51827.8576 -109466.6845 297.8554 -161294.5421 -109104.0074 298.5054 260.8071 288.2277 763373.9590 -8.1547 -7.9881 PRESSURE: 327600 -33.233 196.94 -174.358 196.94 34.268 -97.8228 -174.359 -97.8212 -12.75 GPRESSURE: 327600 -44.6441 216.143 -96.9246 90.1227 44.4322 -174.094 -153.28 -50.4193 71.3447 PRESSAVG: 327600 32.6501 7.67485 -15.6792 7.67484 -18.3511 -14.1113 -15.6792 -14.1111 20.0206 GPRESSAVG: 327600 31.8876 5.46464 -13.537 7.67474 -17.7024 -15.2885 -16.9928 -14.3639 20.0257 TIMING: 327600 CPU: 1021.39, 0.00309793/step Wall: 1021.39, 0.00309793/step, 4.02077 hours remaining, 234.292969 MB of memory in use. ENERGY: 327600 3977.7842 20594.9803 14522.9204 232.2290 -203429.3109 2799.4178 0.0000 0.0000 51929.7970 -109372.1822 298.4413 -161301.9792 -109010.8911 298.0808 -3.9050 23.7109 764682.2319 11.4398 11.4036 PRESSURE: 327800 31.9187 23.4094 44.853 23.4094 -68.7503 -87.5081 44.8532 -87.5075 18.2868 GPRESSURE: 327800 119.694 -6.7524 112.517 122.672 -102.16 -84.4355 -8.24637 -116.143 29.228 PRESSAVG: 327800 43.9611 -30.9154 51.8885 -30.9154 -61.947 30.8399 51.8884 30.84 17.6626 GPRESSAVG: 327800 44.2985 -28.0386 51.4072 -33.7421 -62.4552 32.1677 52.74 29.7473 17.6855 TIMING: 327800 CPU: 1022.01, 0.00310697/step Wall: 1022.01, 0.00310697/step, 4.03233 hours remaining, 234.292969 MB of memory in use. ENERGY: 327800 4042.3141 20537.5838 14402.3801 253.3170 -203713.7025 3215.3635 0.0000 0.0000 51912.0144 -109350.7295 298.3391 -161262.7438 -108996.0461 298.2639 -6.1816 15.5873 765101.7862 -0.1077 -0.1571 PRESSURE: 328000 -45.453 -26.7476 -110.183 -26.748 -253.874 94.8013 -110.183 94.8011 -64.6649 GPRESSURE: 328000 -63.0954 -44.8007 -98.8957 -134.886 -178.206 146.022 18.9887 156.931 -38.8353 PRESSAVG: 328000 8.15414 10.3177 13.6602 10.3177 -12.1047 6.03872 13.6602 6.03867 -6.36984 GPRESSAVG: 328000 7.19847 11.6629 13.4817 10.7082 -10.911 6.55468 12.3624 6.89666 -6.55434 TIMING: 328000 CPU: 1022.64, 0.00311857/step Wall: 1022.64, 0.00311857/step, 4.04721 hours remaining, 234.292969 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: 328000 3993.3641 20616.6319 14445.3082 250.1333 -203337.2741 2970.5817 0.0000 0.0000 52034.5252 -109026.7297 299.0431 -161061.2549 -108666.1164 298.8792 -121.3307 -93.3789 765367.5007 -3.4401 -3.4223 PRESSURE: 328200 37.1713 35.9523 -43.4416 35.9521 102.567 -16.4398 -43.4422 -16.4393 216.684 GPRESSURE: 328200 79.1272 69.0539 -43.202 -64.4882 104.481 44.3445 -108.753 -21.2738 253.906 PRESSAVG: 328200 21.9555 14.076 32.9145 14.076 -27.5781 28.062 32.9146 28.062 -1.14136 GPRESSAVG: 328200 22.9498 10.3847 30.5036 14.2847 -27.7283 28.6557 34.6901 29.342 -1.39087 TIMING: 328200 CPU: 1023.26, 0.00312051/step Wall: 1023.26, 0.00312051/step, 4.04956 hours remaining, 234.292969 MB of memory in use. ENERGY: 328200 4041.8584 20675.0092 14441.2980 223.0364 -203274.7857 2834.0972 0.0000 0.0000 52175.8146 -108883.6719 299.8551 -161059.4866 -108512.5717 299.3931 118.8074 145.8382 764634.6897 -2.2546 -2.0565 LDB: ============= START OF LOAD BALANCING ============== 1035.74 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1035.74 LDB: =============== DONE WITH MIGRATION ================ 1035.74 LDB: ============= START OF LOAD BALANCING ============== 1036.05 LDB: Largest compute 7010 load 0.029395 is 15.1% of average load 0.194811 LDB: Average compute 0.004397 is 2.3% of average load 0.194811 LDB: TIME 1036.06 LOAD: AVG 0.194811 MAX 0.216748 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.16 MB LDB: TIME 1036.06 LOAD: AVG 0.194811 MAX 0.216748 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.289 MB LDB: TIME 1036.06 LOAD: AVG 0.194811 MAX 0.216748 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.289 MB LDB: ============== END OF LOAD BALANCING =============== 1036.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1036.06 PRESSURE: 328400 -101.629 -35.278 -132.559 -35.278 282.479 98.0241 -132.56 98.0234 215.749 GPRESSURE: 328400 -66.3155 94.5853 -16.9189 62.1808 269.318 79.6251 -71.3478 99.5333 277.68 PRESSAVG: 328400 41.0332 -75.2753 -12.5907 -75.2754 -8.18969 -3.93504 -12.5907 -3.93504 6.27584 GPRESSAVG: 328400 41.5005 -75.0528 -8.6159 -71.997 -8.13647 -5.73896 -13.8531 -5.42313 5.79943 TIMING: 328400 CPU: 1023.9, 0.00318653/step Wall: 1023.9, 0.00318653/step, 4.13506 hours remaining, 234.867188 MB of memory in use. ENERGY: 328400 4015.7519 20726.1711 14525.3546 252.7477 -203276.7409 2924.4201 0.0000 0.0000 51946.4259 -108885.8697 298.5368 -160832.2956 -108523.7878 299.4077 132.1999 160.2276 764234.3422 13.0398 13.0545 PRESSURE: 328600 -87.8297 262.155 220.164 262.154 -264.344 235.285 220.163 235.286 -33.6763 GPRESSURE: 328600 -118.753 243.334 168.674 212.112 -190.421 178.934 180.835 141.799 -1.31007 PRESSAVG: 328600 13.5746 -43.8418 29.613 -43.8419 -7.47551 35.3614 29.613 35.3614 3.44099 GPRESSAVG: 328600 12.9482 -41.7055 27.5404 -45.1407 -7.93287 34.1793 31.9163 35.3804 3.69734 TIMING: 328600 CPU: 1024.52, 0.00311408/step Wall: 1024.52, 0.00311408/step, 4.04087 hours remaining, 234.867188 MB of memory in use. ENERGY: 328600 4056.7861 20734.8934 14455.2808 244.8018 -203280.6752 2912.2024 0.0000 0.0000 51921.2207 -108955.4901 298.3920 -160876.7108 -108597.5622 299.2582 -128.6168 -103.4946 762983.8356 3.1800 2.9042 PRESSURE: 328800 84.8947 -92.1195 75.9851 -92.1202 -314.24 -174.57 75.9844 -174.571 -241.385 GPRESSURE: 328800 63.5225 -21.1103 66.3451 55.8365 -284.977 -189.204 93.8682 18.6206 -167.773 PRESSAVG: 328800 33.7686 -3.2744 27.1662 -3.2744 2.76267 11.9904 27.1662 11.9904 -35.5255 GPRESSAVG: 328800 33.3424 -4.87071 26.7549 -1.71819 2.7822 12.5865 24.1598 12.8104 -35.189 TIMING: 328800 CPU: 1025.14, 0.00309903/step Wall: 1025.14, 0.00309903/step, 4.02116 hours remaining, 234.867188 MB of memory in use. ENERGY: 328800 3986.1365 20526.9931 14455.3249 249.0618 -202986.1179 2619.8266 0.0000 0.0000 52074.8516 -109073.9234 299.2749 -161148.7750 -108706.7435 299.1078 -156.9104 -129.7425 764392.1904 0.3353 0.3119 PRESSURE: 329000 113.968 -2.92768 -3.72915 -2.92789 -111.991 175.891 -3.7294 175.891 -197.689 GPRESSURE: 329000 178.464 41.0763 -13.5308 -1.09881 -44.8323 195.53 98.5984 72.264 -245.71 PRESSAVG: 329000 93.6703 12.2403 15.1003 12.2402 -73.068 -17.8961 15.1003 -17.8961 5.73304 GPRESSAVG: 329000 93.2872 13.9749 14.4045 10.9271 -72.5757 -16.2834 17.3054 -18.2917 5.52991 TIMING: 329000 CPU: 1025.76, 0.00309941/step Wall: 1025.76, 0.00309941/step, 4.02148 hours remaining, 234.867188 MB of memory in use. ENERGY: 329000 3974.9819 20630.2754 14440.8790 260.1919 -203290.3324 2856.4043 0.0000 0.0000 52116.4859 -109011.1140 299.5142 -161127.5999 -108658.7222 299.1788 -65.2371 -37.3597 763798.5646 8.7784 8.7472 PRESSURE: 329200 178.075 106.698 111.562 106.699 -9.95837 271.844 111.562 271.844 -89.4443 GPRESSURE: 329200 169.181 96.226 131.109 50.16 -83.537 217.876 46.7901 314.519 54.718 PRESSAVG: 329200 12.5271 -27.2486 -1.86682 -27.2487 -20.8818 29.3113 -1.86684 29.3113 -18.348 GPRESSAVG: 329200 12.2242 -29.1208 -0.710978 -27.5341 -21.2569 28.9063 -2.72051 29.8445 -17.8219 TIMING: 329200 CPU: 1026.38, 0.00310281/step Wall: 1026.38, 0.00310281/step, 4.02573 hours remaining, 234.867188 MB of memory in use. ENERGY: 329200 4001.2009 20586.8486 14488.9324 246.6718 -203250.0217 3030.5152 0.0000 0.0000 51787.2362 -109108.6166 297.6220 -160895.8528 -108763.6870 298.9905 26.2242 46.7874 763900.6071 -8.9009 -8.9516 PRESSURE: 329400 23.0534 131.632 -78.2504 131.632 237.243 -270.288 -78.2513 -270.287 256.145 GPRESSURE: 329400 32.2781 105.08 -102.168 150.582 323.714 -334.14 -23.8781 -281.668 227.655 PRESSAVG: 329400 41.006 -39.2457 21.9311 -39.2457 -18.2077 10.8109 21.931 10.8109 -1.61679 GPRESSAVG: 329400 41.4949 -36.5359 20.7163 -40.0785 -18.3196 9.77677 23.0001 10.077 -2.38101 TIMING: 329400 CPU: 1027.01, 0.00312913/step Wall: 1027.01, 0.00312914/step, 4.05971 hours remaining, 234.867188 MB of memory in use. ENERGY: 329400 3912.7687 20601.4202 14436.3020 262.4124 -203376.7375 2807.5109 0.0000 0.0000 52256.5014 -109099.8220 300.3188 -161356.3234 -108731.8993 299.2323 172.1471 194.5492 762268.0925 7.0605 6.9315 PRESSURE: 329600 -154.291 -51.8077 37.2749 -51.8075 -189.559 3.52128 37.2743 3.52138 -39.4738 GPRESSURE: 329600 -181.429 20.9149 -20.8975 -109.298 -50.3533 -22.4546 93.4212 -80.9843 -64.906 PRESSAVG: 329600 -59.4841 35.8857 -6.54066 35.8858 92.7272 -60.523 -6.5407 -60.523 9.01067 GPRESSAVG: 329600 -60.9667 33.96 -4.49155 37.2164 94.3925 -59.5355 -7.22119 -61.5729 8.88559 TIMING: 329600 CPU: 1027.63, 0.00310715/step Wall: 1027.63, 0.00310715/step, 4.03101 hours remaining, 234.867188 MB of memory in use. ENERGY: 329600 4051.3833 20544.7943 14429.5143 227.4369 -203354.3992 2759.4396 0.0000 0.0000 52287.1539 -109054.6769 300.4950 -161341.8308 -108700.2015 299.1564 -127.7747 -98.8960 763208.7071 14.0846 14.1038 PRESSURE: 329800 -61.6592 42.2977 -101.854 42.2976 -259.14 9.39111 -101.855 9.38992 -338.048 GPRESSURE: 329800 -0.107346 -46.3652 -199.008 52.3511 -239.145 -117.403 -91.5081 58.3139 -351.986 PRESSAVG: 329800 3.81976 -16.6347 23.0989 -16.6348 8.6925 -20.528 23.0988 -20.5281 0.504443 GPRESSAVG: 329800 4.73456 -16.6313 21.9226 -16.8004 7.21245 -19.7168 19.8922 -22.8473 1.34714 TIMING: 329800 CPU: 1028.25, 0.00309937/step Wall: 1028.25, 0.00309937/step, 4.02075 hours remaining, 234.867188 MB of memory in use. ENERGY: 329800 3978.7995 20511.5248 14445.9268 246.9917 -202685.3017 2506.4283 0.0000 0.0000 52111.8052 -108883.8254 299.4873 -160995.6306 -108516.3854 299.1222 -219.6156 -197.0794 765662.2066 4.3389 4.4314 PRESSURE: 330000 -73.8026 -18.62 -256.019 -18.6197 30.8955 -186.64 -256.019 -186.64 156.255 GPRESSURE: 330000 35.8694 2.53592 -237.984 62.2627 -11.0083 -148.607 -190.475 -242.272 167.351 PRESSAVG: 330000 -15.3242 51.7185 53.7568 51.7186 32.7432 1.53122 53.7568 1.53125 -20.8474 GPRESSAVG: 330000 -13.2949 53.3212 53.8404 51.4038 32.5098 0.705181 57.0022 2.07609 -22.5094 TIMING: 330000 CPU: 1028.87, 0.00311838/step Wall: 1028.87, 0.00311838/step, 4.04524 hours remaining, 234.867188 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: 330000 3946.4819 20625.3039 14486.4035 253.6640 -203251.3886 2948.4200 0.0000 0.0000 52064.0575 -108927.0577 299.2129 -160991.1152 -108557.3642 299.4744 37.7826 64.0706 764447.6694 -1.1428 -1.0982 PRESSURE: 330200 398.114 263.968 90.3879 263.967 462.63 104.766 90.3877 104.766 -340.19 GPRESSURE: 330200 378.081 225.866 62.6556 141.374 486.081 166.415 -9.72901 -34.3669 -256.836 PRESSAVG: 330200 32.9679 45.2658 18.5861 45.2659 -17.54 36.5833 18.5862 36.5834 13.7163 GPRESSAVG: 330200 31.609 42.854 19.716 44.8413 -17.5776 37.4557 16.6389 38.565 14.4324 TIMING: 330200 CPU: 1029.49, 0.00311775/step Wall: 1029.49, 0.00311775/step, 4.04424 hours remaining, 234.867188 MB of memory in use. ENERGY: 330200 4060.3568 20564.9097 14444.0230 267.2505 -203541.6410 3155.0093 0.0000 0.0000 51912.6740 -109137.4177 298.3429 -161050.0917 -108777.0198 299.2591 173.5182 202.4421 762846.0450 9.7147 9.4879 PRESSURE: 330400 -67.9505 -170.953 -4.99306 -170.952 -44.0572 60.0658 -4.99337 60.0673 341.591 GPRESSURE: 330400 38.5977 -82.6234 -17.4796 -78.9 -51.7206 47.7177 -13.3147 144.043 307 PRESSAVG: 330400 -15.4964 21.9641 38.6098 21.964 12.5257 -4.02574 38.6098 -4.02575 -13.3051 GPRESSAVG: 330400 -15.2918 20.8842 38.3224 23.0029 11.8226 -5.26098 38.4551 -6.20951 -13.2598 TIMING: 330400 CPU: 1030.12, 0.00311119/step Wall: 1030.12, 0.00311119/step, 4.03557 hours remaining, 234.867188 MB of memory in use. ENERGY: 330400 4056.0692 20572.2898 14432.7701 263.4862 -203728.0967 3212.1481 0.0000 0.0000 52184.2726 -109007.0606 299.9037 -161191.3333 -108645.5315 299.2898 76.5277 97.9590 763679.9564 -5.4253 -5.5763 PRESSURE: 330600 -605.361 55.7299 22.2896 55.7301 -43.0359 51.7524 22.2898 51.7518 -98.6351 GPRESSURE: 330600 -564.752 155.906 -14.3136 16.5465 -53.3151 84.9247 -60.6608 -57.2174 -74.2067 PRESSAVG: 330600 45.7712 81.9694 28.2757 81.9694 -22.3166 -6.03935 28.2757 -6.03923 9.43019 GPRESSAVG: 330600 44.5908 83.8592 27.8694 80.9082 -22.7211 -4.61006 28.9546 -5.25589 10.9783 TIMING: 330600 CPU: 1030.74, 0.00310968/step Wall: 1030.74, 0.00310968/step, 4.03343 hours remaining, 234.867188 MB of memory in use. ENERGY: 330600 4079.1559 20733.0048 14461.8696 240.5494 -202945.4082 2617.6387 0.0000 0.0000 51902.1397 -108911.0501 298.2823 -160813.1898 -108551.9032 298.8094 -249.0108 -230.7581 764048.2424 10.9616 10.9493 PRESSURE: 330800 305.379 -186.254 56.2507 -186.254 30.1916 -149.924 56.2504 -149.925 73.7797 GPRESSURE: 330800 171.795 -241.075 14.4026 -46.9471 71.8898 -241.176 164.374 -242.318 239.637 PRESSAVG: 330800 -15.2484 -7.9529 -7.56775 -7.95285 -18.3522 66.2054 -7.56773 66.2053 19.927 GPRESSAVG: 330800 -15.4272 -8.14403 -8.61741 -7.89991 -16.7661 64.5357 -6.3661 67.0232 18.264 TIMING: 330800 CPU: 1031.36, 0.0031207/step Wall: 1031.36, 0.0031207/step, 4.04755 hours remaining, 234.867188 MB of memory in use. ENERGY: 330800 4026.0741 20523.1599 14430.0635 236.1550 -203185.6020 3057.2197 0.0000 0.0000 52095.9842 -108816.9455 299.3963 -160912.9297 -108445.5001 298.8659 136.4502 161.1073 762111.5589 -4.5579 -4.6431 PRESSURE: 331000 166.963 23.9018 151.12 23.9023 145.5 166.594 151.12 166.593 -343.96 GPRESSURE: 331000 119.892 100.214 149.025 -50.1075 190.263 231.273 156.182 75.3942 -268.286 PRESSAVG: 331000 -55.4674 6.32656 58.5169 6.32644 8.27388 45.5141 58.5168 45.5143 -5.62559 GPRESSAVG: 331000 -55.1722 5.10654 59.66 5.91592 7.36769 45.9991 55.7642 46.6347 -5.15563 TIMING: 331000 CPU: 1031.98, 0.00309948/step Wall: 1031.98, 0.00309948/step, 4.01986 hours remaining, 234.867188 MB of memory in use. ENERGY: 331000 3888.3289 20785.3648 14491.4917 250.5740 -202747.7848 2740.9968 0.0000 0.0000 51958.0325 -108632.9959 298.6035 -160591.0285 -108275.8911 299.5671 -10.4992 13.9564 763726.1852 -17.6064 -17.6534 PRESSURE: 331200 -205.867 -89.1321 -145.966 -89.131 -493.303 54.4887 -145.967 54.4888 -362.151 GPRESSURE: 331200 -131.591 -95.2337 -94.7059 -102.515 -511.211 144.626 -29.7932 1.1492 -373.155 PRESSAVG: 331200 15.0402 -37.4421 77.6522 -37.4421 -17.2764 38.7132 77.6522 38.7132 -10.2611 GPRESSAVG: 331200 16.5092 -35.4105 78.2434 -37.3687 -18.1966 38.1368 78.4121 37.6116 -10.7851 TIMING: 331200 CPU: 1032.6, 0.00310674/step Wall: 1032.6, 0.00310673/step, 4.02909 hours remaining, 234.867188 MB of memory in use. ENERGY: 331200 4075.0059 20666.2043 14379.7140 243.2754 -202437.7094 2345.6285 0.0000 0.0000 52043.8190 -108684.0623 299.0965 -160727.8813 -108335.8461 299.6913 -353.7735 -338.6522 764618.7985 -4.1658 -4.1575 PRESSURE: 331400 203.517 -73.124 73.2303 -73.1244 -151.487 -94.9267 73.2309 -94.927 -169.183 GPRESSURE: 331400 123.414 -27.4355 20.6819 18.8622 -44.8069 -106.518 84.765 8.83414 -119.623 PRESSAVG: 331400 -25.8506 -31.1644 -23.5583 -31.1644 54.3372 3.57871 -23.5583 3.57867 34.1943 GPRESSAVG: 331400 -27.4744 -32.8413 -23.9887 -30.5594 56.5689 2.40776 -20.9073 4.61978 33.2194 TIMING: 331400 CPU: 1033.23, 0.00311476/step Wall: 1033.23, 0.00311476/step, 4.03932 hours remaining, 234.867188 MB of memory in use. ENERGY: 331400 3982.9986 20731.8315 14428.0119 240.5622 -202744.6415 2646.9211 0.0000 0.0000 52098.4454 -108615.8709 299.4105 -160714.3163 -108247.0192 300.0529 -39.0509 -13.6720 764492.0202 20.8936 20.7713 PRESSURE: 331600 -280.828 142.744 310.764 142.744 -152.892 -58.2671 310.764 -58.2669 60.551 GPRESSURE: 331600 -176.778 167.168 237.857 34.5465 -105.93 -56.4997 205.073 98.6495 -21.7033 PRESSAVG: 331600 -46.0756 -42.1143 24.6092 -42.1143 41.4086 -23.3296 24.6092 -23.3296 11.3271 GPRESSAVG: 331600 -45.3127 -41.8502 24.434 -42.559 40.5649 -23.7408 21.4615 -22.713 11.8072 TIMING: 331600 CPU: 1033.85, 0.00309983/step Wall: 1033.85, 0.00309983/step, 4.01979 hours remaining, 234.867188 MB of memory in use. ENERGY: 331600 4031.5592 20723.9737 14478.9176 251.1775 -202996.5017 2915.2644 0.0000 0.0000 52129.8415 -108465.7679 299.5909 -160595.6094 -108106.0586 299.6422 -124.3896 -101.4707 763216.4175 2.2200 2.3531 PRESSURE: 331800 385.881 -129.126 40.1102 -129.125 200.461 126.23 40.1103 126.232 220.196 GPRESSURE: 331800 376.303 11.6684 -66.8745 -71.1946 241.897 59.6453 107.4 -5.71347 263.239 PRESSAVG: 331800 -21.2324 -36.833 49.8218 -36.833 -4.09842 28.1915 49.8218 28.1914 -12.1158 GPRESSAVG: 331800 -21.4902 -36.6566 50.4901 -37.4208 -4.28201 29.0693 50.3853 27.4454 -11.6647 TIMING: 331800 CPU: 1034.46, 0.00308789/step Wall: 1034.46, 0.00308789/step, 4.00413 hours remaining, 234.867188 MB of memory in use. ENERGY: 331800 4011.3295 20702.6482 14479.9634 271.2917 -203341.7942 3073.1902 0.0000 0.0000 52201.2335 -108602.1377 300.0012 -160803.3712 -108237.4598 300.3429 268.8462 293.8131 762746.7614 -12.4822 -12.4790 PRESSURE: 332000 -51.0649 155.875 175.175 155.874 -325.781 -126.534 175.175 -126.535 128.059 GPRESSURE: 332000 -110.161 136.118 218.66 30.892 -237.333 -89.276 126.863 -72.9758 164.74 PRESSAVG: 332000 -3.42633 2.8286 32.9581 2.82861 -13.8225 -5.8727 32.9581 -5.87267 17.3286 GPRESSAVG: 332000 -2.16578 3.84823 33.738 2.5971 -14.0335 -4.91281 32.4074 -7.16695 15.9166 TIMING: 332000 CPU: 1035.08, 0.00307697/step Wall: 1035.08, 0.00307697/step, 3.9898 hours remaining, 234.867188 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: 332000 4023.8745 20624.2617 14526.1006 269.9805 -202766.6740 2651.1972 0.0000 0.0000 52155.2412 -108516.0184 299.7369 -160671.2596 -108168.9855 300.2933 -82.9289 -60.9182 763223.5239 0.0266 -0.0942 PRESSURE: 332200 74.6073 -9.67703 41.9908 -9.6763 344.263 -85.385 41.9905 -85.3849 113.249 GPRESSURE: 332200 105.046 -45.0901 32.8243 -73.7793 483.573 -32.9399 35.3173 -61.6517 31.9466 PRESSAVG: 332200 -2.37219 -21.9965 32.3967 -21.9966 40.3398 52.5387 32.3967 52.5387 -10.3411 GPRESSAVG: 332200 -4.02357 -22.9621 29.1101 -21.2121 41.0901 50.4374 34.3569 53.6478 -9.67706 TIMING: 332200 CPU: 1035.7, 0.00309588/step Wall: 1035.7, 0.00309588/step, 4.01415 hours remaining, 234.867188 MB of memory in use. ENERGY: 332200 3983.6417 20631.9896 14413.2721 245.8797 -203186.5406 2975.2288 0.0000 0.0000 52285.4393 -108651.0893 300.4851 -160936.5286 -108282.6185 300.0686 177.3730 206.8552 761756.0655 9.2088 9.1298 LDB: ============= START OF LOAD BALANCING ============== 1048.18 LDB: ============== END OF LOAD BALANCING =============== 1048.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1048.18 LDB: ============= START OF LOAD BALANCING ============== 1048.49 LDB: Largest compute 7052 load 0.029672 is 15.2% of average load 0.194873 LDB: Average compute 0.004373 is 2.2% of average load 0.194873 LDB: TIME 1048.49 LOAD: AVG 0.194873 MAX 0.217675 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.164 MB LDB: TIME 1048.49 LOAD: AVG 0.194873 MAX 0.217675 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.164 MB LDB: TIME 1048.49 LOAD: AVG 0.194873 MAX 0.217378 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.164 MB LDB: ============== END OF LOAD BALANCING =============== 1048.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1048.5 PRESSURE: 332400 -203.049 -92.5451 47.0693 -92.5448 -101.832 -32.0661 47.069 -32.0664 53.9554 GPRESSURE: 332400 -187.948 -64.3116 96.9406 -98.2273 -14.1997 78.2496 13.453 12.2558 21.9548 PRESSAVG: 332400 -0.467241 27.2205 35.0101 27.2205 -16.3138 -39.4024 35.0102 -39.4023 19.0801 GPRESSAVG: 332400 0.596844 28.5407 36.3637 24.6152 -16.7837 -36.8752 32.851 -39.9897 18.9036 TIMING: 332400 CPU: 1036.33, 0.00317598/step Wall: 1036.33, 0.00317598/step, 4.11784 hours remaining, 235.066406 MB of memory in use. ENERGY: 332400 3997.9398 20709.9754 14482.5426 250.0630 -203351.8128 3037.6873 0.0000 0.0000 52275.6385 -108597.9661 300.4288 -160873.6046 -108238.1778 300.0703 -83.6419 -60.0645 763564.3755 0.7663 0.9056 PRESSURE: 332600 -24.9195 15.0127 -29.9668 15.0138 327.897 -158.761 -29.9663 -158.761 298.286 GPRESSURE: 332600 19.7447 -95.5871 21.0327 93.554 303.568 -174.208 -6.73684 -204.109 340.479 PRESSAVG: 332600 -32.5316 -17.823 18.5553 -17.8229 31.1064 -9.68609 18.5554 -9.6861 0.229747 GPRESSAVG: 332600 -33.9307 -19.1816 20.2858 -16.5277 31.9685 -10.2794 18.4359 -11.2017 0.646162 TIMING: 332600 CPU: 1036.96, 0.00310779/step Wall: 1036.96, 0.00310779/step, 4.02924 hours remaining, 235.066406 MB of memory in use. ENERGY: 332600 3948.3310 20635.9251 14490.8998 249.4334 -203469.1081 3250.1608 0.0000 0.0000 52297.8227 -108596.5352 300.5563 -160894.3579 -108228.4271 300.2500 200.4211 221.2641 763138.8597 -0.3985 -0.4387 PRESSURE: 332800 94.9761 9.31626 79.4947 9.3163 378.832 -29.2599 79.4933 -29.261 371.525 GPRESSURE: 332800 111.793 -36.688 55.2612 -23.0118 409.336 -72.6595 18.2647 14.7627 412.692 PRESSAVG: 332800 -18.01 -26.3451 33.1813 -26.3451 -8.26714 -27.4757 33.1813 -27.4758 -13.7398 GPRESSAVG: 332800 -16.4774 -28.1161 31.4423 -24.81 -8.62943 -28.1783 34.3466 -25.5495 -14.9742 TIMING: 332800 CPU: 1037.58, 0.00311208/step Wall: 1037.58, 0.00311208/step, 4.03464 hours remaining, 235.066406 MB of memory in use. ENERGY: 332800 4096.8525 20648.3882 14512.3266 252.2000 -203504.1624 3212.9340 0.0000 0.0000 52065.8021 -108715.6590 299.2229 -160781.4611 -108355.7802 300.0274 281.7776 311.2737 763303.1969 -13.3390 -13.3603 PRESSURE: 333000 -142.933 -43.9474 -84.4826 -43.9471 -4.96669 0.0919004 -84.4825 0.0914407 67.4769 GPRESSURE: 333000 -116.337 -61.0472 -89.3376 -113.755 49.98 71.9837 -140.133 18.5672 73.0869 PRESSAVG: 333000 -6.38917 -26.9197 36.229 -26.9198 10.6969 26.1444 36.229 26.1444 -27.7013 GPRESSAVG: 333000 -6.53852 -27.1873 37.1601 -28.3562 8.71059 26.3432 37.7007 24.807 -25.3223 TIMING: 333000 CPU: 1038.2, 0.00310812/step Wall: 1038.2, 0.00310812/step, 4.02933 hours remaining, 235.066406 MB of memory in use. ENERGY: 333000 4032.9455 20587.7726 14521.8055 244.3685 -203026.3296 2778.9766 0.0000 0.0000 51842.1083 -109018.3526 297.9373 -160860.4609 -108661.1058 299.7594 -26.8076 2.2434 764395.9505 -7.7978 -7.7167 PRESSURE: 333200 72.3344 -64.14 347.099 -64.1385 89.9623 -20.7419 347.098 -20.7416 207.513 GPRESSURE: 333200 140.894 23.7981 407.263 -79.6584 118.856 22.7502 267.749 -7.49603 191.022 PRESSAVG: 333200 -73.8839 9.72778 -0.0885197 9.72774 37.9232 -10.123 -0.0884532 -10.1231 2.31815 GPRESSAVG: 333200 -73.0653 12.2954 -2.0781 12.2857 39.4306 -10.4121 0.305784 -10.6068 0.450604 TIMING: 333200 CPU: 1038.82, 0.0031106/step Wall: 1038.82, 0.0031106/step, 4.03237 hours remaining, 235.066406 MB of memory in use. ENERGY: 333200 4001.1699 20481.2772 14512.9011 263.1503 -203758.2031 3114.5120 0.0000 0.0000 52173.9476 -109211.2450 299.8444 -161385.1927 -108847.5509 298.6583 123.2701 150.2573 763815.5555 -11.2142 -11.0613 PRESSURE: 333400 -317.094 -47.7411 -13.8392 -47.7403 -189.145 0.24201 -13.8393 0.2431 -77.2213 GPRESSURE: 333400 -273.961 1.58402 5.43433 63.8919 -150.268 -48.6851 44.4846 3.15264 -69.6537 PRESSAVG: 333400 -59.9591 -15.6193 -21.892 -15.6193 75.4186 -1.12129 -21.8921 -1.12134 -19.8385 GPRESSAVG: 333400 -61.3983 -15.5851 -20.6376 -20.3115 76.2065 -0.888573 -25.2387 -1.66927 -18.8378 TIMING: 333400 CPU: 1039.44, 0.00310618/step Wall: 1039.44, 0.00310618/step, 4.02648 hours remaining, 235.066406 MB of memory in use. ENERGY: 333400 4007.1774 20589.4727 14512.7777 221.8845 -203399.0736 3044.4909 0.0000 0.0000 51736.6489 -109286.6216 297.3312 -161023.2705 -108934.1447 298.4387 -194.4867 -164.6277 763090.1607 -1.4597 -1.3432 PRESSURE: 333600 -45.9789 -26.3049 -91.1522 -26.3046 -32.1205 -186.799 -91.152 -186.799 127.08 GPRESSURE: 333600 -46.5613 -49.9144 -199.018 -114.249 -30.1489 -147.477 -18.7469 -69.2692 201.756 PRESSAVG: 333600 -57.7869 -34.9263 9.46422 -34.9263 18.6578 4.63722 9.46431 4.63717 -13.6534 GPRESSAVG: 333600 -57.1382 -36.7325 9.75063 -32.906 18.1258 5.70133 13.1156 4.60209 -13.7977 TIMING: 333600 CPU: 1040.07, 0.00312174/step Wall: 1040.07, 0.00312174/step, 4.04647 hours remaining, 235.066406 MB of memory in use. ENERGY: 333600 3962.9464 20433.6484 14587.7094 232.7331 -203237.0742 2908.1822 0.0000 0.0000 51938.1726 -109173.6821 298.4894 -161111.8547 -108808.9126 298.5996 16.3267 41.6818 765440.4505 -17.5942 -17.6034 PRESSURE: 333800 -186.051 -15.1327 -148.097 -15.1321 -210.38 9.85826 -148.097 9.85812 241.917 GPRESSURE: 333800 -83.2189 43.804 -41.3676 -49.3065 -189.568 51.7689 -183.065 -83.6141 214.168 PRESSAVG: 333800 -31.5386 -3.92995 -33.2871 -3.92998 -37.5073 11.7865 -33.2871 11.7864 2.08315 GPRESSAVG: 333800 -30.7135 -3.193 -32.5622 -3.85559 -38.0092 11.2472 -35.1346 12.0575 1.77123 TIMING: 333800 CPU: 1040.69, 0.00312892/step Wall: 1040.69, 0.00312892/step, 4.0556 hours remaining, 235.066406 MB of memory in use. ENERGY: 333800 3949.2103 20618.2579 14477.1518 232.2724 -203428.4883 2874.8500 0.0000 0.0000 52180.5992 -109096.1468 299.8826 -161276.7460 -108734.6595 298.4882 -51.5047 -19.5395 764417.6349 -22.3209 -22.3172 PRESSURE: 334000 -62.9406 48.1382 264.358 48.1371 -375.926 58.1847 264.357 58.1841 -114.567 GPRESSURE: 334000 -111.454 -45.2217 278.384 -21.0251 -264.85 103.733 235.566 59.825 -94.6923 PRESSAVG: 334000 -50.2724 -18.7493 1.81555 -18.7494 25.4873 10.2295 1.81551 10.2296 2.1645 GPRESSAVG: 334000 -50.0318 -17.2803 -0.0631186 -18.7115 25.7395 9.97969 0.453801 11.978 1.8157 TIMING: 334000 CPU: 1041.32, 0.00311132/step Wall: 1041.32, 0.00311132/step, 4.03262 hours remaining, 235.066406 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: 334000 4009.4450 20570.4830 14539.2045 235.1434 -203002.8366 2749.5313 0.0000 0.0000 51804.9307 -109094.0986 297.7236 -160899.0293 -108724.8285 298.8734 -184.4780 -156.9987 764845.4892 -7.5402 -7.4922 PRESSURE: 334200 308.023 -64.3819 84.2847 -64.3819 183.441 -99.8287 84.2843 -99.8278 181.461 GPRESSURE: 334200 356.233 -151.938 87.1196 9.02104 266.116 -114.212 91.5931 -101.599 137.632 PRESSAVG: 334200 -23.4769 20.0216 64.1567 20.0215 15.5777 5.09716 64.1567 5.09721 -11.4049 GPRESSAVG: 334200 -24.9752 16.0764 62.7825 20.1999 15.3465 7.11364 66.1894 3.06665 -9.89385 TIMING: 334200 CPU: 1041.94, 0.00312817/step Wall: 1041.94, 0.00312817/step, 4.05429 hours remaining, 235.066406 MB of memory in use. ENERGY: 334200 3964.1702 20651.6957 14451.1765 244.0427 -203692.7204 3176.7817 0.0000 0.0000 52046.0099 -109158.8437 299.1091 -161204.8536 -108791.8866 298.8403 224.3084 253.3274 763498.2994 -6.4347 -6.5075 PRESSURE: 334400 -142.847 -174.771 -32.1453 -174.771 -193.082 37.4643 -32.146 37.4638 278.978 GPRESSURE: 334400 -154.85 -139.412 -55.4233 -222.883 -129.739 37.2097 42.3824 111.443 320.913 PRESSAVG: 334400 -22.6729 21.221 28.0046 21.221 60.99 8.70069 28.0045 8.70067 18.7527 GPRESSAVG: 334400 -23.5249 24.0956 29.1754 22.2349 62.6437 6.12267 27.1185 9.49284 17.9237 TIMING: 334400 CPU: 1042.56, 0.00310941/step Wall: 1042.56, 0.00310941/step, 4.02979 hours remaining, 235.066406 MB of memory in use. ENERGY: 334400 4044.1209 20571.3085 14517.8000 255.1545 -203700.4835 2925.6420 0.0000 0.0000 52114.6657 -109271.7918 299.5037 -161386.4575 -108921.2937 298.7290 -18.9833 12.1082 763427.2047 19.0233 19.0142 PRESSURE: 334600 75.2308 163.836 145.949 163.836 7.60842 -28.7327 145.949 -28.7308 98.223 GPRESSURE: 334600 150.808 1.91514 130.964 44.4163 -9.57576 -62.9493 123.199 24.7052 116.436 PRESSAVG: 334600 -81.1756 19.4597 -12.7934 19.4597 59.0366 -16.1575 -12.7934 -16.1575 10.6782 GPRESSAVG: 334600 -82.1108 20.4143 -13.4365 16.9326 58.7894 -14.1126 -12.1458 -17.2108 11.2833 TIMING: 334600 CPU: 1043.18, 0.00309868/step Wall: 1043.18, 0.00309868/step, 4.01571 hours remaining, 235.066406 MB of memory in use. ENERGY: 334600 4019.6158 20482.1060 14538.4852 259.3599 -203145.2429 2733.0028 0.0000 0.0000 51869.8372 -109242.8360 298.0967 -161112.6733 -108884.3739 298.1285 60.3541 85.8891 764155.6989 -3.8203 -4.0127 PRESSURE: 334800 217.775 -12.8788 247.557 -12.8786 -143.354 205.929 247.557 205.929 -166.837 GPRESSURE: 334800 161.949 -76.5609 173.744 -116.296 -56.0897 152.337 326.209 106.68 -117.7 PRESSAVG: 334800 -5.83124 35.6863 23.2856 35.6863 62.0392 -5.3349 23.2855 -5.3349 6.04214 GPRESSAVG: 334800 -4.75906 34.0103 24.8896 34.9699 61.3729 -8.31225 22.4777 -4.70077 5.95573 TIMING: 334800 CPU: 1043.81, 0.00313453/step Wall: 1043.81, 0.00313453/step, 4.062 hours remaining, 235.066406 MB of memory in use. ENERGY: 334800 3976.8782 20508.3006 14426.2207 255.7720 -203050.8000 2648.3204 0.0000 0.0000 52018.9013 -109216.4068 298.9533 -161235.3081 -108849.7268 298.6745 -30.8056 -3.9469 764135.8976 20.7500 20.8565 PRESSURE: 335000 140.268 69.9732 92.1335 69.973 247.45 -75.4535 92.1333 -75.4546 18.0329 GPRESSURE: 335000 139.884 70.4149 50.5518 -55.6456 266.642 -59.5672 53.2431 -30.1586 65.5867 PRESSAVG: 335000 -28.1435 -30.7666 70.8199 -30.7666 24.2817 -45.4621 70.8199 -45.4621 26.7254 GPRESSAVG: 335000 -27.4081 -30.0994 71.3139 -30.0917 23.7472 -42.9485 71.9127 -45.184 26.7397 TIMING: 335000 CPU: 1044.44, 0.00312673/step Wall: 1044.44, 0.00312673/step, 4.05172 hours remaining, 235.066406 MB of memory in use. ENERGY: 335000 4028.2447 20475.2438 14458.7849 242.5855 -203532.6249 3027.4312 0.0000 0.0000 52087.2163 -109213.1185 299.3459 -161300.3348 -108846.1175 298.6784 135.2504 157.3707 762675.1259 7.6212 7.6929 PRESSURE: 335200 -328.654 -7.24701 89.5584 -7.24675 4.69699 -129.719 89.5582 -129.718 -183.579 GPRESSURE: 335200 -292.514 -43.1734 82.4668 65.3019 9.73046 -147.141 -55.7513 -99.1186 -144.086 PRESSAVG: 335200 -50.2419 35.6315 31.0973 35.6315 66.1412 5.97893 31.0973 5.97894 -12.6807 GPRESSAVG: 335200 -49.4952 34.6187 29.9686 36.6819 65.4957 5.38783 31.2542 5.68413 -13.1196 TIMING: 335200 CPU: 1045.05, 0.0030966/step Wall: 1045.05, 0.0030966/step, 4.01251 hours remaining, 235.066406 MB of memory in use. ENERGY: 335200 3951.3474 20467.5572 14405.5858 258.2337 -202841.1453 2645.8752 0.0000 0.0000 51950.1149 -109162.4313 298.5580 -161112.5462 -108794.9204 298.6619 -169.1786 -142.2899 762916.6143 1.0729 0.9603 PRESSURE: 335400 67.56 -11.2988 179.637 -11.2991 117.701 -66.1042 179.637 -66.104 -258.979 GPRESSURE: 335400 155.226 -42.212 239.796 11.3857 87.7092 -73.2158 230.196 76.5254 -221.095 PRESSAVG: 335400 -30.6368 -57.8437 29.8059 -57.8436 10.5344 -31.3545 29.806 -31.3545 3.45684 GPRESSAVG: 335400 -30.0133 -56.6209 30.6499 -58.3852 10.9728 -30.6339 31.9864 -32.2982 2.4514 TIMING: 335400 CPU: 1045.67, 0.00309086/step Wall: 1045.67, 0.00309086/step, 4.00489 hours remaining, 235.066406 MB of memory in use. ENERGY: 335400 3954.5529 20590.9812 14445.8089 246.0566 -203122.4419 2802.1339 0.0000 0.0000 51884.7416 -109198.1668 298.1823 -161082.9084 -108843.7736 298.3385 -24.5725 7.2799 761803.3373 -5.5485 -5.5297 PRESSURE: 335600 41.0167 -30.6472 6.33661 -30.6479 -29.5334 -53.9715 6.33612 -53.9712 -230.95 GPRESSURE: 335600 -7.15414 -70.6757 -0.2399 -13.6363 32.242 -83.5569 -133.672 -59.1164 -190.974 PRESSAVG: 335600 11.7431 10.7098 26.4836 10.7098 19.6768 -13.9223 26.4837 -13.9223 0.934646 GPRESSAVG: 335600 10.7528 11.8785 27.516 11.4402 20.2216 -15.4597 22.5064 -11.1235 2.1146 TIMING: 335600 CPU: 1046.29, 0.00310023/step Wall: 1046.29, 0.00310023/step, 4.01686 hours remaining, 235.066406 MB of memory in use. ENERGY: 335600 4002.0075 20460.6698 14480.8039 258.4802 -203551.8806 3077.1143 0.0000 0.0000 51885.5619 -109387.2430 298.1870 -161272.8049 -109023.5426 298.3348 -73.1554 -55.2953 762877.5246 10.7849 11.0297 PRESSURE: 335800 -47.3635 83.6878 190.626 83.6886 25.3282 -170.334 190.626 -170.335 -234.697 GPRESSURE: 335800 -87.8003 75.3769 114.983 81.6216 141.305 -146.911 206.609 -135.718 -219.217 PRESSAVG: 335800 -10.6733 27.2044 -29.4164 27.2045 67.9352 -12.7611 -29.4164 -12.7611 25.5801 GPRESSAVG: 335800 -10.0755 25.1128 -31.1507 27.4876 67.6736 -13.5579 -28.0741 -14.8576 25.2572 TIMING: 335800 CPU: 1046.92, 0.00312157/step Wall: 1046.92, 0.00312157/step, 4.04434 hours remaining, 235.066406 MB of memory in use. ENERGY: 335800 3986.6932 20442.8199 14468.0851 247.9882 -203727.7209 3218.6516 0.0000 0.0000 51877.0216 -109486.4614 298.1380 -161363.4830 -109117.7631 298.1863 -85.5773 -55.2377 764443.4193 27.6140 27.6184 PRESSURE: 336000 -366.384 3.34117 -43.5415 3.34265 240.684 34.5868 -43.5406 34.5872 -106.154 GPRESSURE: 336000 -266.086 7.49753 -19.5198 67.3793 202.058 122.563 -169.12 -80.9907 -99.7428 PRESSAVG: 336000 -64.0862 -10.4252 -25.1684 -10.4253 26.8126 -3.73515 -25.1684 -3.73521 16.3783 GPRESSAVG: 336000 -65.041 -6.75988 -24.4452 -13.33 27.1921 -2.18407 -26.1924 -4.85015 16.9576 TIMING: 336000 CPU: 1047.54, 0.00311802/step Wall: 1047.54, 0.00311802/step, 4.03957 hours remaining, 235.066406 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: 336000 3985.7138 20369.5652 14428.3617 250.0905 -203330.9070 2909.3958 0.0000 0.0000 51776.9020 -109610.8779 297.5626 -161387.7799 -109260.1060 298.1677 -77.2846 -54.5903 764084.9581 -6.9651 -6.9638 PRESSURE: 336200 -112.745 -97.4466 83.3366 -97.4462 -289.611 -101.758 83.3364 -101.76 -152.981 GPRESSURE: 336200 -130.59 -96.7682 48.1752 -24.2286 -174.367 -96.8043 97.4584 -45.5491 -160.203 PRESSAVG: 336200 -58.4561 0.673552 18.0562 0.673616 72.3859 10.2181 18.0562 10.2182 -7.44844 GPRESSAVG: 336200 -57.9502 -0.542441 18.0324 2.31876 72.6584 9.22538 17.6841 12.9414 -8.5685 TIMING: 336200 CPU: 1048.17, 0.00312437/step Wall: 1048.17, 0.00312437/step, 4.04763 hours remaining, 235.066406 MB of memory in use. ENERGY: 336200 4012.9123 20418.1996 14442.4378 252.8519 -203497.4999 2953.5977 0.0000 0.0000 51906.2002 -109511.3004 298.3056 -161417.5006 -109142.8370 297.9428 -185.1125 -155.0532 764661.2230 2.1604 2.0466 LDB: ============= START OF LOAD BALANCING ============== 1060.64 LDB: ============== END OF LOAD BALANCING =============== 1060.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1060.64 LDB: ============= START OF LOAD BALANCING ============== 1060.96 LDB: Largest compute 7052 load 0.030075 is 15.4% of average load 0.194862 LDB: Average compute 0.004385 is 2.3% of average load 0.194862 LDB: TIME 1060.96 LOAD: AVG 0.194862 MAX 0.213292 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.805 MB LDB: TIME 1060.96 LOAD: AVG 0.194862 MAX 0.213292 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.805 MB LDB: TIME 1060.96 LOAD: AVG 0.194862 MAX 0.213292 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.805 MB LDB: ============== END OF LOAD BALANCING =============== 1060.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1060.97 PRESSURE: 336400 -258.873 83.3468 19.4713 83.3473 -5.97224 159.846 19.472 159.846 225.88 GPRESSURE: 336400 -186.743 171.666 50.2592 -96.0963 -7.34415 227.725 -40.4867 41.5356 233.947 PRESSAVG: 336400 -32.2514 52.4608 -1.45492 52.4607 -3.94287 29.0713 -1.45492 29.0714 7.82364 GPRESSAVG: 336400 -30.7646 50.2692 -1.26941 53.81 -5.13112 31.9462 0.400191 26.9747 7.85739 TIMING: 336400 CPU: 1048.8, 0.00318124/step Wall: 1048.8, 0.00318124/step, 4.12112 hours remaining, 234.500000 MB of memory in use. ENERGY: 336400 3897.6719 20404.2934 14502.1360 249.8495 -203407.8695 3108.2518 0.0000 0.0000 51745.7307 -109499.9361 297.3834 -161245.6668 -109140.4993 298.0832 -12.9883 13.2865 765226.8727 -9.4569 -9.3461 PRESSURE: 336600 -56.8406 202.022 -43.7743 202.021 -258.726 -121.556 -43.775 -121.556 -473.242 GPRESSURE: 336600 -26.5283 216.784 -72.6799 239.921 -261.639 -103.642 62.2841 -39.6324 -414.295 PRESSAVG: 336600 -26.9727 16.1882 -2.80253 16.1883 60.3535 46.552 -2.80265 46.552 -18.4989 GPRESSAVG: 336600 -28.0151 18.3877 -1.49362 15.41 60.5567 44.2084 -3.37831 47.5013 -18.0398 TIMING: 336600 CPU: 1049.42, 0.00310147/step Wall: 1049.42, 0.00310147/step, 4.01761 hours remaining, 234.500000 MB of memory in use. ENERGY: 336600 3950.6128 20295.9095 14468.3305 248.9991 -203601.3770 2882.8110 0.0000 0.0000 52059.9933 -109694.7207 299.1895 -161754.7141 -109333.5739 298.0075 -262.9364 -234.1540 763604.7638 4.9606 4.8339 PRESSURE: 336800 24.1266 -94.1216 91.1582 -94.1211 -30.8184 -2.36438 91.1576 -2.36598 -16.8358 GPRESSURE: 336800 2.89921 -117.645 141.395 -56.731 -10.9979 13.2007 68.0382 35.6164 51.2101 PRESSAVG: 336800 -22.9696 30.2253 22.4987 30.2254 3.63156 54.2596 22.4986 54.2596 -19.5718 GPRESSAVG: 336800 -23.5605 28.3969 21.4026 28.7432 4.34068 54.5033 22.4315 56.1385 -19.919 TIMING: 336800 CPU: 1050.04, 0.00311093/step Wall: 1050.04, 0.00311093/step, 4.02969 hours remaining, 234.500000 MB of memory in use. ENERGY: 336800 3976.8696 20388.9508 14455.4382 242.6245 -203059.7316 2641.5517 0.0000 0.0000 51789.1632 -109565.1336 297.6330 -161354.2969 -109222.8575 297.8235 -7.8425 14.3705 763055.5232 -12.9700 -13.0463 PRESSURE: 337000 84.1779 200.314 129.256 200.313 -340.88 -280.83 129.257 -280.831 -217.692 GPRESSURE: 337000 17.1859 270.756 187.143 32.8777 -218.568 -231.838 0.666003 -301.875 -194.921 PRESSAVG: 337000 -14.9811 12.3863 21.7214 12.3863 -2.73156 -9.72724 21.7214 -9.72716 13.7585 GPRESSAVG: 337000 -14.1667 12.89 21.5887 12.4161 -2.87238 -9.54153 20.7039 -11.8379 13.093 TIMING: 337000 CPU: 1050.67, 0.00311518/step Wall: 1050.67, 0.00311518/step, 4.03502 hours remaining, 234.500000 MB of memory in use. ENERGY: 337000 3972.1601 20372.3932 14385.0215 247.9730 -203103.9186 2764.0997 0.0000 0.0000 51903.5122 -109458.7589 298.2902 -161362.2711 -109093.6784 297.6585 -158.1316 -132.1012 762847.9145 -1.3180 -1.3153 PRESSURE: 337200 54.9257 -79.8346 -54.8221 -79.835 -349.265 33.2121 -54.8222 33.2129 -176.091 GPRESSURE: 337200 -20.3924 -73.6652 -91.2388 -96.2948 -180.063 105.823 -75.4057 78.9376 -187.085 PRESSAVG: 337200 -13.82 -31.0505 -12.3403 -31.0505 9.7069 -29.0915 -12.3403 -29.0916 -0.712837 GPRESSAVG: 337200 -14.7127 -30.4683 -12.1805 -32.444 10.1915 -28.2952 -12.2086 -27.8554 0.346558 TIMING: 337200 CPU: 1051.29, 0.0031106/step Wall: 1051.29, 0.00311061/step, 4.02892 hours remaining, 234.500000 MB of memory in use. ENERGY: 337200 4062.1318 20439.6284 14487.6474 261.4402 -202852.6666 2718.3082 0.0000 0.0000 51632.8053 -109250.7054 296.7344 -160883.5107 -108887.4585 298.0316 -156.8100 -129.1800 764239.2872 -1.6086 -1.3916 PRESSURE: 337400 485.575 142.174 17.0225 142.173 175.715 -75.5546 17.0234 -75.5535 59.8405 GPRESSURE: 337400 478.137 125.804 53.7386 127.607 224.473 -175.791 73.1015 -49.9857 96.7672 PRESSAVG: 337400 39.2606 -1.34047 61.71 -1.34039 6.16953 6.77684 61.71 6.7768 30.8115 GPRESSAVG: 337400 39.5236 -2.53107 61.933 -0.591207 6.24593 4.93752 64.465 8.1893 29.7663 TIMING: 337400 CPU: 1051.91, 0.00309616/step Wall: 1051.91, 0.00309616/step, 4.01005 hours remaining, 234.500000 MB of memory in use. ENERGY: 337400 3951.7579 20362.5599 14565.3931 243.3253 -203620.6181 3151.5083 0.0000 0.0000 51941.2630 -109404.8104 298.5072 -161346.0734 -109046.9879 298.3427 240.3768 266.4592 762991.4678 25.4139 25.1786 PRESSURE: 337600 -4.28877 -142.118 180.755 -142.118 -162.603 -147.805 180.755 -147.804 38.5618 GPRESSURE: 337600 12.7097 -173.835 241.457 -56.465 -96.2093 -106.178 140.451 -206.561 31.2487 PRESSAVG: 337600 38.9695 61.1892 16.398 61.1892 5.68291 -1.88265 16.3981 -1.88258 6.60306 GPRESSAVG: 337600 38.7119 63.5466 15.3866 62.3832 4.73129 -1.53743 15.245 -3.0027 7.48659 TIMING: 337600 CPU: 1052.53, 0.00309602/step Wall: 1052.53, 0.00309602/step, 4.00969 hours remaining, 234.500000 MB of memory in use. ENERGY: 337600 4031.6774 20433.6916 14579.8638 247.1547 -203530.6207 3026.7194 0.0000 0.0000 51754.8766 -109456.6371 297.4360 -161211.5137 -109101.0592 297.9342 -42.7767 -17.4170 763041.7705 17.0851 16.9766 PRESSURE: 337800 -280.38 129.516 -24.9525 129.516 -153.639 131.184 -24.9522 131.184 -164.756 GPRESSURE: 337800 -235.349 128.303 -49.8232 65.7457 -130.722 168.765 4.23127 32.5758 -129.299 PRESSAVG: 337800 -40.6454 -21.5228 -12.0605 -21.5228 30.7822 25.8013 -12.0605 25.8014 -4.60919 GPRESSAVG: 337800 -39.0468 -24.3141 -12.0877 -21.5649 31.404 26.429 -14.265 24.1434 -6.14398 TIMING: 337800 CPU: 1053.15, 0.00309859/step Wall: 1053.15, 0.00309859/step, 4.01284 hours remaining, 234.500000 MB of memory in use. ENERGY: 337800 3983.4979 20570.5265 14435.1361 233.0425 -202984.6609 2603.6494 0.0000 0.0000 51609.2643 -109549.5442 296.5992 -161158.8085 -109197.2106 297.3285 -199.5916 -165.1235 762942.5597 -4.8241 -4.5956 PRESSURE: 338000 -233.313 -58.9592 -87.4844 -58.9588 121.421 63.5473 -87.4847 63.5474 93.3873 GPRESSURE: 338000 -73.0611 -25.6758 -103.22 -3.81581 78.1959 -9.41755 -84.038 54.6567 66.7384 PRESSAVG: 338000 33.5893 -3.21126 -15.2658 -3.21137 -33.7125 25.0713 -15.2657 25.0713 13.8926 GPRESSAVG: 338000 32.8711 -2.13434 -16.287 -3.55868 -34.6286 23.831 -14.0813 25.6807 15.7065 TIMING: 338000 CPU: 1053.77, 0.00312364/step Wall: 1053.77, 0.00312364/step, 4.04512 hours remaining, 234.500000 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: 338000 3922.0061 20489.5158 14467.1496 259.0072 -203102.1099 2757.4974 0.0000 0.0000 51793.1616 -109413.7723 297.6560 -161206.9339 -109052.7040 297.7631 -6.1682 23.9577 763542.5490 4.5898 4.6497 PRESSURE: 338200 200.402 -119.366 -3.57097 -119.367 328.08 -8.12617 -3.57131 -8.12595 -93.5375 GPRESSURE: 338200 167.026 -79.5567 84.6146 -110.688 331.141 -6.60313 60.9733 137.784 2.14058 PRESSAVG: 338200 -5.77975 -14.2112 -11.0171 -14.2111 32.5965 13.2441 -11.017 13.244 3.85662 GPRESSAVG: 338200 -5.72659 -13.418 -8.78484 -14.3776 33.3669 16.126 -12.0503 10.9555 2.97107 TIMING: 338200 CPU: 1054.39, 0.00310266/step Wall: 1054.39, 0.00310266/step, 4.01778 hours remaining, 234.500000 MB of memory in use. ENERGY: 338200 3942.6713 20471.3407 14479.5377 249.5482 -203024.4403 2545.0442 0.0000 0.0000 51999.6488 -109336.6494 298.8427 -161336.2982 -108969.1682 298.1133 144.9814 166.7690 764037.5790 10.2245 10.2038 PRESSURE: 338400 -71.7248 109.091 365.526 109.09 -388.002 23.4593 365.526 23.4582 175.175 GPRESSURE: 338400 -77.4409 152.232 384.946 133.105 -267.442 -35.5326 303.544 -33.88 120.242 PRESSAVG: 338400 9.62677 40.8677 26.339 40.8677 -16.2262 46.2574 26.339 46.2573 18.4436 GPRESSAVG: 338400 9.18032 38.7993 26.1402 40.8595 -16.4375 44.9027 25.6303 48.7009 19.1503 TIMING: 338400 CPU: 1055.01, 0.00308647/step Wall: 1055.01, 0.00308647/step, 3.99664 hours remaining, 234.500000 MB of memory in use. ENERGY: 338400 4012.7167 20447.0447 14514.5690 228.0231 -202639.1723 2379.8766 0.0000 0.0000 51870.5554 -109186.3868 298.1008 -161056.9422 -108818.6208 298.2709 -94.8504 -74.8804 763141.3551 3.9480 3.9644 PRESSURE: 338600 -190.71 -72.8992 -98.7418 -72.8995 -320.127 202.069 -98.742 202.069 26.394 GPRESSURE: 338600 -216.131 -33.9637 -159.343 -152.421 -296.401 126.217 -21.5472 219.136 89.6863 PRESSAVG: 338600 -45.5672 49.1649 0.142453 49.1649 1.79122 21.9208 0.142417 21.9208 -9.62163 GPRESSAVG: 338600 -47.4217 50.9796 -1.71879 48.5254 3.1584 21.4124 0.767564 23.0198 -9.4908 TIMING: 338600 CPU: 1055.63, 0.00310317/step Wall: 1055.63, 0.00310317/step, 4.01809 hours remaining, 234.500000 MB of memory in use. ENERGY: 338600 3997.2274 20622.3670 14433.8854 254.4105 -203193.8497 2795.9713 0.0000 0.0000 51805.2475 -109284.7406 297.7255 -161089.9881 -108920.1212 298.6190 -161.4811 -140.9487 763385.5248 -17.7992 -17.9180 PRESSURE: 338800 -17.7731 15.6211 -115.448 15.6216 305.034 -103.935 -115.448 -103.935 34.4604 GPRESSURE: 338800 105.813 121.15 -119.972 104.808 245.673 -27.0804 -204.255 -32.713 52.8605 PRESSAVG: 338800 -11.7177 22.355 -61.3029 22.355 26.7258 34.5659 -61.3028 34.5658 22.0239 GPRESSAVG: 338800 -10.0171 22.9656 -59.9133 21.7192 25.2372 33.3933 -61.2884 34.1447 22.016 TIMING: 338800 CPU: 1056.25, 0.00309862/step Wall: 1056.25, 0.00309862/step, 4.01202 hours remaining, 234.500000 MB of memory in use. ENERGY: 338800 3924.3580 20458.0998 14384.4850 254.3573 -203368.4944 2952.4765 0.0000 0.0000 52006.8519 -109387.8660 298.8841 -161394.7179 -109016.3089 298.5767 107.2406 134.7820 763797.7640 12.3440 12.4120 PRESSURE: 339000 73.9744 32.2958 59.9688 32.2953 -173.539 -167.611 59.9689 -167.612 -328.241 GPRESSURE: 339000 82.039 -50.6406 58.4115 13.7779 -107.115 -128.826 171.773 -14.2472 -292.694 PRESSAVG: 339000 43.0567 13.9471 15.1454 13.9471 -70.2844 11.5205 15.1453 11.5205 3.9945 GPRESSAVG: 339000 43.0948 12.323 15.6159 16.2075 -69.9047 13.1473 14.8805 10.6963 3.65318 TIMING: 339000 CPU: 1056.87, 0.00311232/step Wall: 1056.87, 0.00311232/step, 4.02959 hours remaining, 234.500000 MB of memory in use. ENERGY: 339000 3999.7326 20654.9132 14421.7564 241.0776 -203081.3827 2760.7251 0.0000 0.0000 51711.4889 -109291.6888 297.1866 -161003.1777 -108938.9243 298.4089 -142.6017 -105.9231 764564.4084 -7.7444 -7.7189 PRESSURE: 339200 -8.90949 73.9394 -14.8984 73.9404 26.0524 -115.06 -14.8984 -115.06 12.387 GPRESSURE: 339200 18.2085 -12.782 -97.8494 67.6034 -12.9234 -130.118 -68.0585 -158.492 112.445 PRESSAVG: 339200 40.6006 -39.7099 -27.0726 -39.7099 -47.0736 -7.02874 -27.0726 -7.0288 -15.8334 GPRESSAVG: 339200 40.4712 -36.9432 -28.2746 -42.7421 -46.5649 -8.35757 -27.673 -5.67775 -15.767 TIMING: 339200 CPU: 1057.49, 0.00310414/step Wall: 1057.49, 0.00310414/step, 4.01882 hours remaining, 234.500000 MB of memory in use. ENERGY: 339200 4034.3811 20630.8263 14546.6219 245.6460 -203987.5993 3437.4432 0.0000 0.0000 51832.4722 -109260.2086 297.8819 -161092.6808 -108897.4058 298.7220 9.8433 39.2434 762548.7527 -7.4354 -7.2869 PRESSURE: 339400 -41.9418 57.3278 -83.6947 57.328 201.248 187.764 -83.6948 187.763 272.469 GPRESSURE: 339400 151.436 -98.6155 -9.65596 63.846 201.529 102.386 -197.286 205.174 148.524 PRESSAVG: 339400 49.8579 -41.2294 2.80795 -41.2294 -35.543 6.37387 2.80796 6.37389 24.934 GPRESSAVG: 339400 49.4627 -42.7391 2.53877 -41.3294 -34.6145 6.75862 3.84042 5.18372 23.8112 TIMING: 339400 CPU: 1058.11, 0.00309127/step Wall: 1058.11, 0.00309127/step, 4.00199 hours remaining, 234.500000 MB of memory in use. ENERGY: 339400 4060.9309 20548.0537 14567.9941 242.0063 -203635.5772 3063.1202 0.0000 0.0000 51826.0811 -109327.3908 297.8452 -161153.4718 -108961.3134 298.8315 143.9249 167.1630 763053.7739 13.0830 12.8864 PRESSURE: 339600 95.4334 -125.586 -205.056 -125.585 395.268 -294.764 -205.056 -294.763 160.97 GPRESSURE: 339600 148.013 -56.2296 -145.559 35.5116 424.979 -322.507 -355.168 -160.632 149.448 PRESSAVG: 339600 8.20496 -0.618488 -13.2177 -0.61843 -30.2913 45.7694 -13.2177 45.7694 3.11667 GPRESSAVG: 339600 9.37983 -1.47732 -12.8771 -0.946533 -31.4459 46.2159 -14.1585 46.5555 3.44365 TIMING: 339600 CPU: 1058.74, 0.00312472/step Wall: 1058.74, 0.00312472/step, 4.04513 hours remaining, 234.500000 MB of memory in use. ENERGY: 339600 3922.2653 20620.2331 14412.2001 247.7621 -203472.1114 3068.6472 0.0000 0.0000 51903.5679 -109297.4358 298.2905 -161201.0037 -108929.5701 298.7014 217.2237 240.8134 763375.1828 -6.3232 -6.2075 PRESSURE: 339800 317.405 28.373 -43.3553 28.3742 -72.5085 105.685 -43.3554 105.685 172.133 GPRESSURE: 339800 291.997 67.9846 2.56707 66.1692 40.7135 92.0546 -32.794 7.17765 181.895 PRESSAVG: 339800 49.4619 -28.4242 6.90421 -28.4241 -26.9549 -12.5409 6.90416 -12.5409 6.19979 GPRESSAVG: 339800 49.1963 -30.102 6.46139 -25.0564 -28.4258 -12.7483 9.20466 -13.6383 8.01795 TIMING: 339800 CPU: 1059.36, 0.003114/step Wall: 1059.36, 0.00311401/step, 4.03108 hours remaining, 234.500000 MB of memory in use. ENERGY: 339800 3978.1576 20729.1374 14502.1748 239.0818 -203445.6294 2909.9254 0.0000 0.0000 51844.5065 -109242.6460 297.9511 -161087.1524 -108900.1084 298.5130 139.0099 171.5351 762373.5554 9.5689 9.5962 PRESSURE: 340000 63.3024 -140.06 258.984 -140.06 -79.1076 -161.962 258.984 -161.962 -156.539 GPRESSURE: 340000 7.92751 -138.89 260.613 -78.796 -6.92736 -131.16 216.626 -14.6684 -93.7083 PRESSAVG: 340000 -1.21448 -7.43854 3.30276 -7.43844 -14.4815 -41.3873 3.30274 -41.3874 21.0856 GPRESSAVG: 340000 -1.22886 -5.68137 4.71161 -8.79822 -13.3596 -41.761 0.453356 -40.1477 20.0663 TIMING: 340000 CPU: 1059.98, 0.00310533/step Wall: 1059.98, 0.00310533/step, 4.01968 hours remaining, 234.500000 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: 340000 3989.8831 20559.8434 14500.3184 257.2268 -203322.3552 2979.4515 0.0000 0.0000 52002.0379 -109033.5942 298.8564 -161035.6321 -108674.8342 298.4186 -57.4479 -30.9027 764668.4665 1.7965 1.8260 PRESSURE: 340200 244.249 -59.8939 26.5771 -59.8942 -96.2903 -98.9775 26.5764 -98.9763 194.361 GPRESSURE: 340200 386.516 -160.204 41.7462 -99.8768 -116.872 -188.369 -37.6869 -24.3379 137.463 PRESSAVG: 340200 -20.1699 28.9804 -20.1541 28.9805 -1.56647 11.5429 -20.1541 11.5429 9.09344 GPRESSAVG: 340200 -21.0914 27.3598 -20.9991 28.6128 -0.394179 11.1346 -17.2896 12.7291 8.55026 TIMING: 340200 CPU: 1060.6, 0.00310861/step Wall: 1060.6, 0.00310861/step, 4.02375 hours remaining, 234.500000 MB of memory in use. ENERGY: 340200 4001.8230 20620.5564 14474.5802 266.8619 -203335.8054 2881.5184 0.0000 0.0000 52104.6714 -108985.7940 299.4463 -161090.4655 -108626.2786 298.4488 114.1066 135.7023 763104.3061 -4.2143 -4.3118 LDB: ============= START OF LOAD BALANCING ============== 1073.08 LDB: ============== END OF LOAD BALANCING =============== 1073.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1073.08 LDB: ============= START OF LOAD BALANCING ============== 1073.39 LDB: Largest compute 7052 load 0.031480 is 16.2% of average load 0.194801 LDB: Average compute 0.004385 is 2.3% of average load 0.194801 LDB: TIME 1073.4 LOAD: AVG 0.194801 MAX 0.213947 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.066 MB LDB: TIME 1073.4 LOAD: AVG 0.194801 MAX 0.213947 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.07 MB LDB: TIME 1073.4 LOAD: AVG 0.194801 MAX 0.213947 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.07 MB LDB: ============== END OF LOAD BALANCING =============== 1073.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1073.4 PRESSURE: 340400 -211.564 139.834 42.9682 139.833 -202.985 -209.344 42.9679 -209.346 454.359 GPRESSURE: 340400 -122.595 192.16 81.2264 134.814 -226.419 -246.049 -17.0572 -126.145 462.73 PRESSAVG: 340400 29.5929 -5.21872 -8.48004 -5.21875 3.06209 34.5957 -8.48003 34.5957 -15.1094 GPRESSAVG: 340400 30.4849 -3.46005 -7.4756 -4.90971 2.26462 35.5269 -9.00144 33.7274 -15.5668 TIMING: 340400 CPU: 1061.24, 0.00317298/step Wall: 1061.24, 0.00317298/step, 4.1069 hours remaining, 234.097656 MB of memory in use. ENERGY: 340400 4022.3997 20704.0073 14455.9782 254.4565 -203735.8529 3057.4786 0.0000 0.0000 52207.8849 -109033.6476 300.0394 -161241.5325 -108666.5301 299.1739 13.2698 37.9054 762904.5169 5.8485 5.7276 PRESSURE: 340600 51.3338 111.144 -113.636 111.144 82.8351 190.217 -113.636 190.217 144.747 GPRESSURE: 340600 161.719 69.9995 -145.363 40.7936 51.629 51.4559 -114.171 157.534 163.533 PRESSAVG: 340600 -27.7708 22.4142 -14.1338 22.4142 10.6925 -18.8179 -14.1338 -18.8179 8.48696 GPRESSAVG: 340600 -28.4029 20.4827 -16.1061 22.1176 10.3986 -20.2897 -13.5358 -18.6155 9.66243 TIMING: 340600 CPU: 1061.86, 0.00309159/step Wall: 1061.86, 0.00309159/step, 4.00138 hours remaining, 234.097656 MB of memory in use. ENERGY: 340600 4025.4485 20658.1671 14528.7136 256.1934 -203566.4243 2808.6113 0.0000 0.0000 52245.8540 -109043.4365 300.2576 -161289.2905 -108687.0108 299.6264 92.9719 125.6270 763386.1382 -2.8638 -2.7806 PRESSURE: 340800 -94.0289 34.7497 121.335 34.7483 107.169 244.236 121.335 244.237 243.445 GPRESSURE: 340800 -77.8804 54.1329 76.2311 -11.7947 149.457 271.655 90.0526 118.986 241.739 PRESSAVG: 340800 -17.9854 12.0188 -1.86446 12.0188 -15.5241 -15.4644 -1.86444 -15.4644 -19.7935 GPRESSAVG: 340800 -18.7799 12.9015 -1.8472 13.0037 -14.7262 -15.6449 -2.94139 -16.4595 -19.5271 TIMING: 340800 CPU: 1062.47, 0.00308112/step Wall: 1062.47, 0.00308112/step, 3.98765 hours remaining, 234.097656 MB of memory in use. ENERGY: 340800 3993.0135 20592.8813 14520.6496 270.9549 -203754.6073 3273.6367 0.0000 0.0000 51938.6491 -109164.8223 298.4921 -161103.4714 -108802.3855 299.0030 85.5284 104.4384 763254.0291 -17.7677 -17.6777 PRESSURE: 341000 -72.5733 -102.036 -0.44552 -102.037 88.1559 3.23267 -0.446689 3.23181 86.7217 GPRESSURE: 341000 -74.7625 -80.2787 53.4817 -13.1874 139.437 40.5354 -20.4729 69.0435 122.435 PRESSAVG: 341000 8.18906 -16.1956 37.8474 -16.1956 4.11475 22.3881 37.8474 22.388 -3.17383 GPRESSAVG: 341000 7.87605 -17.4657 38.325 -17.1962 5.90458 22.6389 36.637 21.4189 -4.59813 TIMING: 341000 CPU: 1063.09, 0.00309368/step Wall: 1063.09, 0.00309368/step, 4.00374 hours remaining, 234.097656 MB of memory in use. ENERGY: 341000 4001.1867 20596.5314 14462.2738 262.4330 -203314.9902 2652.3036 0.0000 0.0000 52214.6039 -109125.6578 300.0780 -161340.2617 -108760.0148 299.0255 34.1015 62.3701 763515.6267 3.0433 3.0608 PRESSURE: 341200 -286.975 -29.6601 19.2357 -29.6597 -152.35 119.371 19.2356 119.37 -126.674 GPRESSURE: 341200 -156.857 24.9879 12.3804 46.6706 -176.811 90.9385 -1.64383 73.4497 -151.561 PRESSAVG: 341200 19.4498 -52.4912 37.8335 -52.4912 -30.3332 -0.685286 37.8335 -0.685393 5.52524 GPRESSAVG: 341200 21.0213 -51.3209 36.8412 -51.2657 -32.3046 0.620333 39.5353 -0.985321 6.04656 TIMING: 341200 CPU: 1063.71, 0.00308942/step Wall: 1063.71, 0.00308942/step, 3.99805 hours remaining, 234.097656 MB of memory in use. ENERGY: 341200 4005.5659 20639.1411 14549.1724 234.9681 -203341.4241 2685.7497 0.0000 0.0000 52020.6789 -109206.1479 298.9636 -161226.8268 -108834.7613 299.1574 -188.6662 -161.7431 763641.5726 -1.7861 -1.7456 PRESSURE: 341400 -6.40734 242.383 50.6187 242.382 -115.732 43.8609 50.6182 43.8609 262.342 GPRESSURE: 341400 -40.7526 229.781 -52.0833 225.108 -25.8642 78.6867 12.4993 -72.6747 300.135 PRESSAVG: 341400 -13.7542 5.07193 20.7404 5.07189 32.1847 -59.8122 20.7404 -59.8122 -14.7635 GPRESSAVG: 341400 -15.1357 6.465 22.3829 4.52786 33.2332 -59.0888 17.7463 -60.2226 -14.2982 TIMING: 341400 CPU: 1064.33, 0.00310358/step Wall: 1064.33, 0.00310358/step, 4.0162 hours remaining, 234.097656 MB of memory in use. ENERGY: 341400 3980.4386 20542.0905 14497.7374 236.2169 -203624.4733 2906.4564 0.0000 0.0000 52318.9386 -109142.5950 300.6777 -161461.5336 -108774.9939 299.5897 46.7343 77.8394 763401.1262 1.2223 1.2664 PRESSURE: 341600 -132.449 88.7575 125.085 88.7564 -228.467 -94.7487 125.085 -94.7499 -538.051 GPRESSURE: 341600 -118.634 56.8041 168.293 160.921 -171.611 -45.364 204.098 -107.191 -515.11 PRESSAVG: 341600 -5.35277 17.6866 -16.6403 17.6866 13.4217 -54.5583 -16.6403 -54.5583 6.2398 GPRESSAVG: 341600 -3.90274 14.6986 -16.8821 19.2573 11.7027 -56.6286 -14.3849 -52.3072 7.05901 TIMING: 341600 CPU: 1064.95, 0.00311144/step Wall: 1064.95, 0.00311144/step, 4.0262 hours remaining, 234.097656 MB of memory in use. ENERGY: 341600 3999.2482 20810.4640 14452.7633 238.7238 -203562.5103 2867.1395 0.0000 0.0000 51969.5608 -109224.6107 298.6698 -161194.1715 -108872.1184 299.1055 -299.6557 -268.4515 763654.8046 4.7696 4.9530 PRESSURE: 341800 38.9553 -79.5764 115.649 -79.577 195.905 -159.504 115.649 -159.504 181.298 GPRESSURE: 341800 29.4766 -37.9077 -42.1979 -202.114 222.84 -150.674 2.75163 -254.326 241.624 PRESSAVG: 341800 -86.3049 -40.1771 -13.9222 -40.1772 77.6047 -74.2768 -13.9222 -74.2768 -6.0379 GPRESSAVG: 341800 -86.1832 -39.0835 -13.3447 -41.672 77.7331 -73.4578 -14.7961 -74.7629 -5.57917 TIMING: 341800 CPU: 1065.57, 0.00311724/step Wall: 1065.57, 0.00311724/step, 4.03354 hours remaining, 234.097656 MB of memory in use. ENERGY: 341800 3956.3517 20747.8452 14483.2631 248.1605 -204217.6429 3397.8387 0.0000 0.0000 52046.5574 -109337.6263 299.1123 -161384.1837 -108967.6808 298.7289 138.7192 164.6469 762750.6680 -4.9127 -4.6764 PRESSURE: 342000 -153.044 106.233 9.52858 106.231 19.7794 -35.665 9.52729 -35.6645 -231.028 GPRESSURE: 342000 -150.977 88.9422 -2.58874 171.082 56.7993 2.3707 148.081 -30.5283 -177.893 PRESSAVG: 342000 19.5362 12.5899 26.2014 12.5899 -46.7419 -27.2158 26.2014 -27.2158 20.1548 GPRESSAVG: 342000 19.0752 13.4678 24.3534 11.812 -46.0624 -26.6267 28.0056 -26.664 19.7092 TIMING: 342000 CPU: 1066.2, 0.00310553/step Wall: 1066.2, 0.00310553/step, 4.01821 hours remaining, 234.097656 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: 342000 3978.9232 20699.4036 14428.9209 252.9970 -203679.1376 2965.9691 0.0000 0.0000 51930.6021 -109422.3216 298.4459 -161352.9237 -109058.4778 298.4628 -121.4309 -90.6901 764350.5614 -2.3503 -2.4260 PRESSURE: 342200 -387.099 -208.782 -61.6517 -208.784 -280.765 12.8077 -61.652 12.8075 -156.676 GPRESSURE: 342200 -360.162 -127.507 -64.2774 -85.5176 -258.261 -54.7526 108.549 22.8048 -114.29 PRESSAVG: 342200 -85.3447 -17.7251 -4.04575 -17.7251 50.272 -35.4244 -4.04567 -35.4243 -24.8787 GPRESSAVG: 342200 -85.692 -16.2517 -3.71534 -14.5926 51.3653 -36.883 -3.04679 -35.9962 -25.3662 TIMING: 342200 CPU: 1066.82, 0.00311284/step Wall: 1066.82, 0.00311284/step, 4.0275 hours remaining, 234.097656 MB of memory in use. ENERGY: 342200 4040.9960 20544.9973 14490.1449 244.7898 -203650.9984 2819.8678 0.0000 0.0000 51956.1127 -109554.0898 298.5925 -161510.2024 -109185.7196 298.0291 -274.8465 -244.2379 762326.9843 -19.9838 -19.8976 PRESSURE: 342400 134.313 92.1799 227.109 92.1799 -86.1235 57.5883 227.11 57.5881 -196.64 GPRESSURE: 342400 88.1786 144.461 214.437 -26.5413 -38.6431 -18.0144 123.775 170.549 -119.857 PRESSAVG: 342400 70.9494 8.13268 -18.0867 8.13267 -5.92685 15.1146 -18.0867 15.1145 -3.40987 GPRESSAVG: 342400 69.8315 8.06559 -17.3569 4.73824 -5.7053 14.8969 -20.8705 15.7574 -2.53036 TIMING: 342400 CPU: 1067.44, 0.00311618/step Wall: 1067.44, 0.00311618/step, 4.03164 hours remaining, 234.097656 MB of memory in use. ENERGY: 342400 3951.5287 20582.9143 14515.3932 246.8822 -203611.7148 2840.1778 0.0000 0.0000 51975.3957 -109499.4229 298.7033 -161474.8186 -109136.4771 297.7932 -49.4834 -23.4407 763231.5388 20.5376 20.5320 PRESSURE: 342600 -217.261 -143.818 -35.0582 -143.819 -339.882 91.83 -35.0582 91.8312 -110.262 GPRESSURE: 342600 -187.731 -192.461 -65.4072 -206.128 -326.202 59.6997 -24.8653 16.5734 -60.8481 PRESSAVG: 342600 -27.803 -16.3915 26.5991 -16.3915 -11.5677 24.9 26.5991 24.9 -9.17437 GPRESSAVG: 342600 -25.85 -16.3637 26.4335 -16.0442 -13.2414 26.922 28.3789 23.7626 -9.23402 TIMING: 342600 CPU: 1068.06, 0.00310457/step Wall: 1068.06, 0.00310457/step, 4.01645 hours remaining, 234.097656 MB of memory in use. ENERGY: 342600 3988.5810 20583.9309 14531.1370 233.3795 -203422.1644 2829.7252 0.0000 0.0000 51866.9096 -109388.5011 298.0798 -161255.4107 -109026.5852 298.5284 -222.4683 -191.5937 762977.1073 -16.1817 -16.1085 PRESSURE: 342800 -316.609 -173.42 37.5675 -173.421 -112.985 13.7776 37.5675 13.7779 -250.134 GPRESSURE: 342800 -302.344 -187.168 -64.8291 -115.16 -94.9445 17.023 130.205 157.765 -197.967 PRESSAVG: 342800 13.2605 27.6271 66.6667 27.6271 9.91962 20.3319 66.6668 20.332 5.86918 GPRESSAVG: 342800 14.0407 26.1619 67.2136 30.011 11.2617 17.7166 65.8149 21.8966 5.38986 TIMING: 342800 CPU: 1068.68, 0.00309904/step Wall: 1068.68, 0.00309904/step, 4.00912 hours remaining, 234.097656 MB of memory in use. ENERGY: 342800 3975.1087 20665.3830 14481.2776 251.7685 -203565.7000 2864.0314 0.0000 0.0000 52120.7697 -109207.3610 299.5388 -161328.1307 -108833.9898 298.6147 -226.5760 -198.4184 764142.8979 9.6831 10.2307 PRESSURE: 343000 -151.347 -148.298 -116.138 -148.298 -253.971 -128.632 -116.138 -128.632 313.87 GPRESSURE: 343000 -16.1276 -88.1822 -35.0439 -44.902 -316.01 -86.313 -89.0235 -68.12 306.307 PRESSAVG: 343000 30.5905 -11.4716 15.3191 -11.4717 -9.89187 34.7771 15.3191 34.7771 -2.58546 GPRESSAVG: 343000 28.7566 -11.3715 15.8604 -14.398 -8.36543 35.9538 15.8614 34.1683 -2.70275 TIMING: 343000 CPU: 1069.3, 0.00310297/step Wall: 1069.3, 0.00310297/step, 4.01403 hours remaining, 234.097656 MB of memory in use. ENERGY: 343000 4059.6417 20761.7539 14411.7437 240.5319 -203750.9522 3133.7526 0.0000 0.0000 52061.2819 -109082.2465 299.1969 -161143.5284 -108732.8669 298.4985 -30.4825 -8.6101 763784.2712 6.0377 5.8961 PRESSURE: 343200 26.0927 -61.3909 -163.051 -61.3897 32.1188 -85.6809 -163.051 -85.6813 -36.1566 GPRESSURE: 343200 49.0269 -74.7112 -150.452 -71.7784 104.812 -61.9399 -125.413 61.2411 -23.2569 PRESSAVG: 343200 6.21058 -13.7745 31.2087 -13.7744 -23.425 -7.24287 31.2087 -7.2429 7.33121 GPRESSAVG: 343200 7.6263 -12.3862 29.1937 -12.2613 -25.3439 -5.05459 30.3335 -8.17749 8.22607 TIMING: 343200 CPU: 1069.92, 0.00310729/step Wall: 1069.92, 0.00310729/step, 4.01946 hours remaining, 234.097656 MB of memory in use. ENERGY: 343200 3979.7222 20564.2821 14527.3855 253.6198 -203303.2835 2849.6290 0.0000 0.0000 52007.5902 -109121.0548 298.8883 -161128.6450 -108756.7652 298.5135 7.3516 43.5274 763326.2848 -3.2944 -3.1638 PRESSURE: 343400 -182.906 -127.065 333.719 -127.066 75.041 -120.946 333.719 -120.945 -190.586 GPRESSURE: 343400 -187.724 -25.5533 263.306 -19.0919 55.3437 -91.0464 318.663 -125.097 -89.7193 PRESSAVG: 343400 -22.9695 -41.7782 17.7004 -41.7782 47.813 20.8673 17.7005 20.8673 5.23345 GPRESSAVG: 343400 -23.1838 -43.7381 17.4317 -40.1162 47.9335 20.8518 18.1694 20.9375 5.42289 TIMING: 343400 CPU: 1070.54, 0.00310307/step Wall: 1070.54, 0.00310307/step, 4.01382 hours remaining, 234.097656 MB of memory in use. ENERGY: 343400 4054.1404 20531.9485 14427.0786 250.6259 -203413.3024 2860.9818 0.0000 0.0000 52072.4275 -109216.0997 299.2610 -161288.5272 -108853.3674 298.9879 -99.4837 -74.0331 762930.1600 10.0257 10.0575 PRESSURE: 343600 -123.846 -5.59548 180.815 -5.5953 38.9783 3.17374 180.815 3.17338 110.27 GPRESSURE: 343600 -66.1426 51.9237 196.746 51.9413 14.874 -87.2085 183.808 -49.4013 148.22 PRESSAVG: 343600 21.5955 6.90459 43.8148 6.90454 36.1097 -34.1893 43.8148 -34.1894 3.64662 GPRESSAVG: 343600 20.6666 9.51345 45.199 6.55542 37.4469 -35.9808 43.18 -34.0289 2.5226 TIMING: 343600 CPU: 1071.17, 0.00311438/step Wall: 1071.17, 0.00311438/step, 4.02828 hours remaining, 234.097656 MB of memory in use. ENERGY: 343600 3971.1439 20451.2432 14521.6354 235.0708 -203390.4796 2752.6655 0.0000 0.0000 52025.1479 -109433.5728 298.9892 -161458.7208 -109066.0942 298.8536 8.4674 32.3171 761550.0110 20.4506 20.2120 PRESSURE: 343800 -140.475 -46.0088 33.7555 -46.0096 -134.495 -53.3834 33.7556 -53.3842 11.304 GPRESSURE: 343800 -98.4728 -71.1811 69.9486 -127.251 -34.3528 -105.442 83.295 27.9389 -37.1004 PRESSAVG: 343800 -12.5838 -3.24383 26.4949 -3.24386 42.1368 -75.8894 26.4949 -75.8895 -7.4706 GPRESSAVG: 343800 -11.1246 -4.70943 24.9913 -4.90134 40.8907 -75.3722 26.368 -72.882 -7.80412 TIMING: 343800 CPU: 1071.79, 0.00311158/step Wall: 1071.79, 0.00311158/step, 4.02448 hours remaining, 234.097656 MB of memory in use. ENERGY: 343800 4022.8119 20553.1491 14413.9298 273.3318 -203422.0021 2794.5820 0.0000 0.0000 51960.4551 -109403.7423 298.6174 -161364.1974 -109037.8591 297.8356 -87.8885 -56.6420 762687.4117 7.3608 7.3207 PRESSURE: 344000 132.893 -231.757 251.48 -231.757 104.602 -60.3042 251.48 -60.3042 197.756 GPRESSURE: 344000 213.663 -106.985 142.134 -218.878 179.963 -83.4963 246.309 -46.5527 130.952 PRESSAVG: 344000 9.31925 -15.7729 -17.2447 -15.7729 -50.6316 -49.6197 -17.2447 -49.6197 11.0935 GPRESSAVG: 344000 8.58697 -15.6614 -17.4102 -16.2291 -50.5868 -49.8267 -16.1788 -51.4363 12.0134 TIMING: 344000 CPU: 1072.41, 0.00310666/step Wall: 1072.41, 0.00310666/step, 4.01795 hours remaining, 234.097656 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: 344000 3936.5388 20613.4399 14529.6930 232.3886 -203511.8927 3094.5926 0.0000 0.0000 51729.2415 -109375.9983 297.2887 -161105.2398 -109004.9247 298.4407 145.0833 174.8594 763716.6159 -10.0730 -9.9955 PRESSURE: 344200 84.4419 133.767 169.263 133.768 169.675 129.71 169.265 129.71 99.8601 GPRESSURE: 344200 134.507 49.9097 117.951 113.982 141.427 63.6446 167.721 62.7623 150.983 PRESSAVG: 344200 -1.81455 -15.5614 25.3248 -15.5613 32.8581 -30.5479 25.3248 -30.5478 1.80406 GPRESSAVG: 344200 -1.96942 -17.753 26.4806 -13.9118 32.278 -32.1744 25.2403 -29.8699 2.04997 TIMING: 344200 CPU: 1073.03, 0.00310537/step Wall: 1073.03, 0.00310537/step, 4.01611 hours remaining, 234.097656 MB of memory in use. ENERGY: 344200 3864.7201 20665.2885 14410.9400 236.2139 -203933.4544 3342.2945 0.0000 0.0000 52091.8562 -109322.1411 299.3726 -161413.9974 -108959.2005 298.4754 117.9923 142.3059 764112.9317 10.9492 10.7862 LDB: ============= START OF LOAD BALANCING ============== 1085.51 LDB: ============== END OF LOAD BALANCING =============== 1085.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1085.51 LDB: ============= START OF LOAD BALANCING ============== 1085.82 LDB: Largest compute 7052 load 0.031139 is 16.0% of average load 0.194881 LDB: Average compute 0.004365 is 2.2% of average load 0.194881 LDB: TIME 1085.83 LOAD: AVG 0.194881 MAX 0.216804 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.039 MB LDB: TIME 1085.83 LOAD: AVG 0.194881 MAX 0.216804 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.238 MB LDB: TIME 1085.83 LOAD: AVG 0.194881 MAX 0.216804 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.238 MB LDB: ============== END OF LOAD BALANCING =============== 1085.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1085.84 PRESSURE: 344400 -251.369 23.1268 -81.6409 23.1268 -2.47674 254.724 -81.6399 254.724 104.38 GPRESSURE: 344400 -245.71 108.238 -21.9658 6.74384 12.0014 276.087 -56.6606 106.001 167.845 PRESSAVG: 344400 -37.4706 13.1329 42.6942 13.1329 -27.1318 32.0363 42.6943 32.0364 17.2072 GPRESSAVG: 344400 -37.8952 16.706 42.4749 11.417 -27.0415 33.7545 41.5141 28.3385 17.028 TIMING: 344400 CPU: 1073.67, 0.00318403/step Wall: 1073.67, 0.00318402/step, 4.11765 hours remaining, 234.039062 MB of memory in use. ENERGY: 344400 4027.8717 20680.3977 14469.1936 248.3709 -203936.0062 3199.7793 0.0000 0.0000 51912.5648 -109397.8282 298.3422 -161310.3930 -109033.1645 298.8466 -49.8220 -21.9546 764804.1672 -15.7984 -15.9696 PRESSURE: 344600 -122.092 -287.401 34.3111 -287.401 -32.0085 25.5012 34.3114 25.5021 -20.6461 GPRESSURE: 344600 -62.7373 -286.212 -56.1046 -117.923 23.9847 57.5173 -20.7435 137.802 -53.9681 PRESSAVG: 344600 11.6711 -0.56416 -3.27481 -0.564107 -11.482 -29.6842 -3.27481 -29.6842 -16.9272 GPRESSAVG: 344600 12.1505 -1.31426 -2.28331 2.20224 -10.7946 -29.5748 -0.806303 -26.0332 -18.3627 TIMING: 344600 CPU: 1074.29, 0.00309563/step Wall: 1074.29, 0.00309563/step, 4.00317 hours remaining, 234.242188 MB of memory in use. ENERGY: 344600 4051.4186 20697.7843 14503.9008 243.6906 -203854.4844 3024.8483 0.0000 0.0000 51902.4158 -109430.4260 298.2839 -161332.8418 -109071.5561 298.4558 -58.2488 -30.9069 763075.0363 -5.5794 -5.6690 PRESSURE: 344800 -339.843 -193.062 -179.243 -193.062 -110.222 -31.9422 -179.243 -31.9424 -76.2356 GPRESSURE: 344800 -337.029 -17.2142 -215.953 -168.48 -57.6021 -63.469 -166.262 -86.9676 -71.0497 PRESSAVG: 344800 24.6139 -22.0942 -7.88803 -22.0942 21.0152 -32.8077 -7.88808 -32.8077 -10.2286 GPRESSAVG: 344800 22.6072 -22.6677 -9.32582 -23.7728 21.763 -31.6531 -7.41298 -35.1888 -9.81305 TIMING: 344800 CPU: 1074.91, 0.00312107/step Wall: 1074.91, 0.00312107/step, 4.03589 hours remaining, 234.242188 MB of memory in use. ENERGY: 344800 4006.4192 20630.0145 14498.8987 250.8974 -203298.5757 2842.8057 0.0000 0.0000 51841.5574 -109227.9829 297.9341 -161069.5403 -108870.6156 298.5917 -175.4334 -155.2270 763954.1721 11.8002 11.5191 PRESSURE: 345000 62.8891 18.5977 -213.175 18.5969 -3.31715 156.266 -213.174 156.266 -20.008 GPRESSURE: 345000 28.214 83.5835 -235.408 107.448 44.6621 225.308 -105.468 107.367 49.7775 PRESSAVG: 345000 20.3183 5.50615 -12.9604 5.50617 16.6949 -32.4687 -12.9605 -32.4687 19.999 GPRESSAVG: 345000 21.5688 6.54641 -12.8057 4.50401 14.9712 -34.1367 -15.8789 -31.8107 20.4575 TIMING: 345000 CPU: 1075.53, 0.00310431/step Wall: 1075.53, 0.00310431/step, 4.01405 hours remaining, 234.242188 MB of memory in use. ENERGY: 345000 3983.3636 20506.0212 14471.0025 232.3867 -203525.5500 2779.7481 0.0000 0.0000 52139.6435 -109413.3842 299.6472 -161553.0277 -109051.9087 298.4873 13.1880 40.8845 763401.1716 19.0040 18.9992 PRESSURE: 345200 -69.1819 -27.3484 49.8569 -27.3489 -268.705 -157.614 49.8569 -157.615 334.176 GPRESSURE: 345200 -73.2737 -94.7101 47.7739 -88.6308 -202.762 -171.225 117.649 -132.573 355.948 PRESSAVG: 345200 -10.3886 -2.02747 -4.59116 -2.02752 17.1274 -5.07852 -4.59112 -5.07852 11.7429 GPRESSAVG: 345200 -11.0246 -4.14815 -3.02592 -0.943434 18.4619 -5.88221 -0.676392 -2.72197 10.8538 TIMING: 345200 CPU: 1076.16, 0.00311737/step Wall: 1076.16, 0.00311737/step, 4.03076 hours remaining, 234.242188 MB of memory in use. ENERGY: 345200 3991.5441 20481.1436 14461.9103 246.0023 -203487.4418 3073.2631 0.0000 0.0000 51925.2079 -109308.3705 298.4149 -161233.5784 -108946.1214 298.7113 -1.2371 26.6374 764893.0890 6.1605 6.0970 PRESSURE: 345400 -143.991 60.4243 -48.9357 60.4249 125.85 -106.94 -48.9348 -106.94 263.773 GPRESSURE: 345400 -58.3997 46.63 -81.2281 150.943 173.396 -159.99 -47.6942 -98.1681 209.602 PRESSAVG: 345400 15.5537 36.9328 41.8887 36.9328 0.622707 -28.4106 41.8888 -28.4107 -8.906 GPRESSAVG: 345400 15.5192 38.7822 39.6986 37.4574 0.408694 -27.0251 40.4167 -29.7386 -8.67719 TIMING: 345400 CPU: 1076.78, 0.00311227/step Wall: 1076.78, 0.00311227/step, 4.02399 hours remaining, 234.242188 MB of memory in use. ENERGY: 345400 3992.8184 20593.2146 14421.0575 235.5877 -203814.1457 3199.3697 0.0000 0.0000 52166.2881 -109205.8097 299.8004 -161372.0978 -108848.1264 298.7859 81.8772 108.1995 763381.8729 2.4235 2.4169 PRESSURE: 345600 4.78358 -131.975 -99.6962 -131.974 -563.712 110.712 -99.6966 110.712 -12.5666 GPRESSURE: 345600 -26.891 -143.642 -123.38 -153.55 -481.534 145.85 -182.696 16.4127 13.867 PRESSAVG: 345600 12.6204 -17.2885 -20.0081 -17.2885 32.3813 -10.0768 -20.0081 -10.0767 -4.85295 GPRESSAVG: 345600 13.2764 -16.3498 -18.7743 -19.6355 32.7268 -9.65611 -20.546 -11.4422 -5.35924 TIMING: 345600 CPU: 1077.4, 0.00311326/step Wall: 1077.4, 0.00311326/step, 4.0251 hours remaining, 234.242188 MB of memory in use. ENERGY: 345600 3998.1260 20655.9177 14501.9472 268.6776 -203469.7370 2860.8053 0.0000 0.0000 52080.6257 -109103.6376 299.3081 -161184.2633 -108740.0902 298.9960 -190.4984 -164.8528 763787.0043 13.3829 13.5480 PRESSURE: 345800 162.147 56.0807 -3.19385 56.0812 224.127 -101.994 -3.19405 -101.993 370.149 GPRESSURE: 345800 181.739 109.864 -41.2588 -53.4322 215.69 -55.2382 33.0465 56.1189 452.361 PRESSAVG: 345800 -27.5323 -13.5583 -0.217727 -13.5582 -11.7307 -45.7535 -0.217737 -45.7535 8.90898 GPRESSAVG: 345800 -27.0197 -15.6147 -0.8241 -11.2606 -12.6579 -45.6303 -1.04518 -44.5186 8.84238 TIMING: 345800 CPU: 1078.02, 0.00310223/step Wall: 1078.02, 0.00310223/step, 4.01067 hours remaining, 234.242188 MB of memory in use. ENERGY: 345800 3981.2867 20687.5800 14449.3219 243.6512 -203550.8718 2988.4722 0.0000 0.0000 52215.9651 -108984.5946 300.0859 -161200.5597 -108627.6297 299.5162 252.1412 283.2634 762263.0366 -10.1180 -10.2784 PRESSURE: 346000 125.809 -43.6294 -88.4151 -43.6289 8.85138 90.4937 -88.415 90.4927 124.744 GPRESSURE: 346000 240.846 -116.705 -146.501 -79.2974 -54.0178 86.6186 34.3357 -58.2622 165.857 PRESSAVG: 346000 -6.48456 -43.5001 -22.9407 -43.5 66.3262 -8.63886 -22.9407 -8.63887 -3.40796 GPRESSAVG: 346000 -6.88711 -43.1093 -22.5918 -43.8521 64.8253 -8.89725 -22.9041 -9.18563 -1.7171 TIMING: 346000 CPU: 1078.64, 0.00308849/step Wall: 1078.64, 0.00308849/step, 3.99274 hours remaining, 234.242188 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: 346000 3939.2266 20660.1514 14551.4118 267.0385 -203636.5908 3087.1906 0.0000 0.0000 52273.9776 -108857.5943 300.4193 -161131.5719 -108488.0290 299.7087 86.4682 117.5618 764226.4057 18.8112 18.7404 PRESSURE: 346200 -121.457 40.99 5.66217 40.9901 -282.787 -121.358 5.66142 -121.358 -134.467 GPRESSURE: 346200 -31.8401 26.8971 -23.0316 51.5904 -259.21 -89.0517 -38.8986 -39.735 -169.964 PRESSAVG: 346200 -39.0554 -52.1975 40.4129 -52.1975 39.6511 -20.1834 40.413 -20.1834 -15.6602 GPRESSAVG: 346200 -40.0704 -52.4155 39.5711 -52.2164 40.769 -20.3512 40.8213 -21.123 -15.7541 TIMING: 346200 CPU: 1079.26, 0.00311676/step Wall: 1079.26, 0.00311676/step, 4.02911 hours remaining, 234.242188 MB of memory in use. ENERGY: 346200 4048.7195 20510.3497 14520.9276 266.0383 -202933.9572 2551.7021 0.0000 0.0000 52167.1936 -108869.0263 299.8056 -161036.2199 -108500.0965 299.8905 -179.5706 -153.6714 763052.5399 -5.0215 -5.0185 PRESSURE: 346400 66.253 -274.163 -118.968 -274.163 -180.521 -233.107 -118.968 -233.107 66.4873 GPRESSURE: 346400 144.088 -244.557 -115.744 -206.051 -174.176 -223.891 -168.854 -158.394 48.9383 PRESSAVG: 346400 -27.5927 -46.575 4.62576 -46.575 39.8099 -13.0721 4.62577 -13.0721 11.0916 GPRESSAVG: 346400 -27.5583 -46.034 4.15183 -48.6842 40.9856 -14.0874 4.51876 -13.729 9.40914 TIMING: 346400 CPU: 1079.89, 0.00312089/step Wall: 1079.89, 0.00312089/step, 4.03427 hours remaining, 234.242188 MB of memory in use. ENERGY: 346400 3962.8805 20625.1983 14543.5105 250.0681 -203244.3686 2811.2741 0.0000 0.0000 52203.6418 -108847.7953 300.0150 -161051.4371 -108487.1173 299.3770 -15.9271 6.2834 764808.0254 7.7696 7.6121 PRESSURE: 346600 -161.496 -51.0429 23.8641 -51.0425 8.10103 170.831 23.8639 170.831 526.59 GPRESSURE: 346600 -105.125 32.2547 8.0448 -21.5423 18.5984 150.267 -4.22135 253.172 536.927 PRESSAVG: 346600 46.0838 -79.028 -26.6755 -79.0279 -50.9292 -55.2192 -26.6755 -55.2192 -13.5018 GPRESSAVG: 346600 47.2167 -78.138 -24.5762 -76.4857 -52.4786 -53.7988 -28.3672 -54.2961 -12.7907 TIMING: 346600 CPU: 1080.51, 0.00311142/step Wall: 1080.51, 0.00311142/step, 4.02186 hours remaining, 234.242188 MB of memory in use. ENERGY: 346600 4053.7815 20551.7907 14540.4802 230.6099 -203327.9399 3147.4139 0.0000 0.0000 51980.9627 -108822.9010 298.7353 -160803.8637 -108461.3264 299.3449 124.3984 150.1335 765055.3832 -6.1157 -6.0175 PRESSURE: 346800 241.877 -66.0342 295.509 -66.0351 -149.497 -134.705 295.508 -134.705 232.808 GPRESSURE: 346800 153.709 -171.661 223.145 20.4504 -19.7665 -152.16 290.39 -96.4644 275.939 PRESSAVG: 346800 38.8601 -8.4235 48.8282 -8.42347 -11.9316 -21.4045 48.8282 -21.4046 -1.36662 GPRESSAVG: 346800 38.222 -10.7836 46.8737 -8.92596 -10.8283 -20.5309 51.1755 -21.54 -1.982 TIMING: 346800 CPU: 1081.13, 0.00311143/step Wall: 1081.13, 0.00311143/step, 4.0217 hours remaining, 234.242188 MB of memory in use. ENERGY: 346800 3926.3369 20709.8093 14503.8334 244.7335 -203426.1382 3035.0942 0.0000 0.0000 52336.5053 -108669.8256 300.7786 -161006.3309 -108305.2742 299.8672 108.3965 136.6269 766178.9137 8.5206 8.4706 PRESSURE: 347000 -195.441 -105.302 238.39 -105.303 -196.054 -142.701 238.39 -142.701 -257.249 GPRESSURE: 347000 -127.938 -127.295 258.491 59.6392 -239.306 -12.7791 246.295 -264.049 -223.433 PRESSAVG: 347000 5.01521 -31.7858 19.6161 -31.7858 -60.4644 -13.9166 19.616 -13.9166 -0.444411 GPRESSAVG: 347000 5.85736 -31.3285 21.4748 -31.611 -61.2543 -15.3317 19.5431 -12.1587 -0.463721 TIMING: 347000 CPU: 1081.75, 0.00310716/step Wall: 1081.75, 0.00310716/step, 4.016 hours remaining, 234.242188 MB of memory in use. ENERGY: 347000 4141.8112 20623.5471 14555.4477 255.5881 -203456.9950 2981.2320 0.0000 0.0000 52296.6296 -108602.7392 300.5494 -160899.3689 -108234.7590 300.1584 -216.2481 -196.8925 763772.4210 -18.6312 -18.6202 PRESSURE: 347200 -445.196 50.0018 -158.983 50.0018 -377.56 -21.4573 -158.983 -21.4589 -319.993 GPRESSURE: 347200 -477.885 35.6174 -127.461 137.323 -280.274 -29.4412 -152.972 2.22106 -282.165 PRESSAVG: 347200 23.3588 -42.4501 18.8407 -42.4502 -29.692 -13.5149 18.8406 -13.5149 -19.7404 GPRESSAVG: 347200 22.8749 -42.7605 18.3972 -40.9615 -28.8171 -12.1681 19.9437 -13.3192 -19.7672 TIMING: 347200 CPU: 1082.37, 0.0031057/step Wall: 1082.37, 0.0031057/step, 4.01395 hours remaining, 234.242188 MB of memory in use. ENERGY: 347200 4027.6255 20675.0511 14492.1146 238.1988 -203075.2026 2873.6726 0.0000 0.0000 52108.2335 -108660.3065 299.4667 -160768.5400 -108295.1829 300.5973 -380.9163 -346.7747 764473.7849 -8.6912 -8.5698 PRESSURE: 347400 -347.599 90.3506 -175.178 90.3508 -181.652 50.3402 -175.178 50.3395 -342.101 GPRESSURE: 347400 -314.643 112.691 -193.365 70.0932 -186.413 -115.771 -193.101 79.8211 -280.819 PRESSAVG: 347400 16.74 -61.7045 3.29573 -61.7044 -15.1416 -8.98602 3.29575 -8.9861 26.4881 GPRESSAVG: 347400 16.7072 -61.0489 1.84216 -62.8592 -14.9307 -11.2567 2.67804 -11.0254 26.5757 TIMING: 347400 CPU: 1083, 0.00310621/step Wall: 1083, 0.00310621/step, 4.01444 hours remaining, 234.242188 MB of memory in use. ENERGY: 347400 4038.9853 20663.1256 14412.2854 222.1990 -202804.9756 2565.0880 0.0000 0.0000 51924.2069 -108979.0854 298.4091 -160903.2922 -108616.0048 299.5046 -290.4510 -260.6251 766396.2855 9.3622 9.4507 PRESSURE: 347600 -174.81 -113.397 34.2214 -113.397 -32.5305 21.0118 34.2215 21.0122 31.5093 GPRESSURE: 347600 -145.42 -61.8463 55.8364 -65.7862 -58.3672 43.1244 -41.4895 69.2989 109.231 PRESSAVG: 347600 67.3567 -26.2893 8.7743 -26.2893 -70.1486 -71.0815 8.77425 -71.0816 -5.59095 GPRESSAVG: 347600 67.2501 -27.7544 8.37546 -24.8857 -69.5174 -70.7518 8.35464 -70.8165 -5.75725 TIMING: 347600 CPU: 1083.62, 0.00311482/step Wall: 1083.62, 0.00311482/step, 4.02539 hours remaining, 234.242188 MB of memory in use. ENERGY: 347600 3999.4500 20705.8376 14504.6903 243.7719 -203282.2926 2753.0705 0.0000 0.0000 52003.1491 -109072.3233 298.8628 -161075.4724 -108710.0161 298.8284 -58.6103 -31.5189 763202.8983 -2.7943 -2.6749 PRESSURE: 347800 -174.362 57.1866 142.04 57.1868 237.653 104.911 142.04 104.911 232.689 GPRESSURE: 347800 -64.8116 103.401 211.828 72.5563 187.564 60.5712 67.3805 196.019 240.403 PRESSAVG: 347800 39.5416 -35.3945 -7.98846 -35.3946 -19.3091 -2.04365 -7.98846 -2.04365 -15.3509 GPRESSAVG: 347800 40.4557 -33.5141 -5.6227 -38.0533 -20.3005 -1.57954 -8.50852 0.374071 -14.9586 TIMING: 347800 CPU: 1084.24, 0.00309711/step Wall: 1084.24, 0.00309711/step, 4.00233 hours remaining, 234.242188 MB of memory in use. ENERGY: 347800 3934.7057 20696.0998 14540.5607 253.6848 -203534.9642 2876.3050 0.0000 0.0000 51995.7287 -109237.8795 298.8202 -161233.6081 -108877.7074 298.9376 98.6600 121.0518 763494.9643 1.6272 1.7322 PRESSURE: 348000 -425.176 109.719 -20.7888 109.719 -449.108 225.285 -20.7892 225.287 -412.527 GPRESSURE: 348000 -337.057 120.246 21.7603 74.895 -443.25 196.692 -10.9318 168.76 -435.102 PRESSAVG: 348000 -0.983447 -31.5751 13.1136 -31.5751 -30.5038 -2.84825 13.1136 -2.84822 29.3152 GPRESSAVG: 348000 -1.15765 -32.1461 12.0436 -31.8022 -30.4806 -1.69775 11.9321 -4.84901 29.3681 TIMING: 348000 CPU: 1084.86, 0.00310293/step Wall: 1084.86, 0.00310293/step, 4.00967 hours remaining, 234.242188 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: 348000 3986.3506 20714.1040 14449.6882 246.8933 -202805.3738 2509.6148 0.0000 0.0000 51835.0971 -109063.6257 297.8970 -160898.7228 -108710.1547 298.7977 -428.9373 -405.1363 765170.0672 -0.7240 -0.7567 PRESSURE: 348200 -73.6183 -171.918 -10.1512 -171.919 34.2912 202.26 -10.15 202.26 -258.33 GPRESSURE: 348200 -86.0016 -95.8823 -7.01131 -128.002 97.2712 194.02 20.3558 131.334 -234.57 PRESSAVG: 348200 3.21116 -21.9815 25.8448 -21.9815 -53.4016 -3.98896 25.8448 -3.98898 -5.42277 GPRESSAVG: 348200 4.03179 -20.9942 25.441 -20.5723 -53.8891 -5.33422 28.207 -2.60323 -4.98064 TIMING: 348200 CPU: 1085.48, 0.00311943/step Wall: 1085.48, 0.00311943/step, 4.03082 hours remaining, 234.242188 MB of memory in use. ENERGY: 348200 4016.8618 20593.0767 14481.3804 256.8503 -203227.9528 3073.5031 0.0000 0.0000 51919.9500 -108886.3305 298.3847 -160806.2805 -108528.6070 298.6160 -99.2190 -74.4335 765405.7945 -18.5377 -18.2793 LDB: ============= START OF LOAD BALANCING ============== 1097.96 LDB: ============== END OF LOAD BALANCING =============== 1097.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1097.96 LDB: ============= START OF LOAD BALANCING ============== 1098.28 LDB: Largest compute 7052 load 0.030858 is 15.8% of average load 0.194891 LDB: Average compute 0.004373 is 2.2% of average load 0.194891 LDB: TIME 1098.28 LOAD: AVG 0.194891 MAX 0.215743 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.578 MB LDB: TIME 1098.28 LOAD: AVG 0.194891 MAX 0.215743 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.621 MB LDB: TIME 1098.28 LOAD: AVG 0.194891 MAX 0.215743 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.621 MB LDB: ============== END OF LOAD BALANCING =============== 1098.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1098.29 PRESSURE: 348400 54.1285 -94.7355 -187.364 -94.7359 290.853 257.155 -187.364 257.155 31.9774 GPRESSURE: 348400 101.767 -92.6023 -250.303 -36.8002 287.416 342.315 60.0649 230.408 69.6525 PRESSAVG: 348400 17.3909 -31.6836 22.3828 -31.6837 0.865267 30.9221 22.3828 30.9221 -7.40614 GPRESSAVG: 348400 16.9042 -31.1165 21.4446 -31.0531 2.49732 31.8375 22.9802 29.2684 -8.6525 TIMING: 348400 CPU: 1086.12, 0.00319109/step Wall: 1086.12, 0.00319109/step, 4.12325 hours remaining, 234.550781 MB of memory in use. ENERGY: 348400 4001.2867 20467.3040 14450.6854 233.0892 -203224.2483 3096.3112 0.0000 0.0000 52169.1758 -108806.3960 299.8170 -160975.5718 -108439.2723 299.1275 125.6529 152.9454 764707.0610 3.6167 3.5830 PRESSURE: 348600 -5.87593 -143.852 152.651 -143.851 -144.769 -140.668 152.651 -140.667 128.578 GPRESSURE: 348600 -16.3512 -64.3676 140.269 -91.7612 -56.0346 -151.793 206.828 -66.234 138.593 PRESSAVG: 348600 -33.3932 -13.2256 9.31173 -13.2257 40.8038 -19.55 9.31175 -19.55 -22.4383 GPRESSAVG: 348600 -34.0219 -16.4514 10.6899 -13.8671 39.7036 -19.5376 8.90046 -17.7432 -20.3212 TIMING: 348600 CPU: 1086.74, 0.00310186/step Wall: 1086.74, 0.00310186/step, 4.00777 hours remaining, 234.753906 MB of memory in use. ENERGY: 348600 3958.8100 20586.2652 14407.6839 248.6292 -203326.5723 2953.8024 0.0000 0.0000 52402.0899 -108769.2917 301.1555 -161171.3816 -108409.9573 299.3558 -7.3556 22.0690 765244.4579 -5.0092 -4.8798 PRESSURE: 348800 -103.128 -69.2307 233.79 -69.2296 -183.379 211.359 233.789 211.36 137.892 GPRESSURE: 348800 -41.3404 -83.4109 311.552 125.145 -181.299 163.575 88.6307 173.828 146.208 PRESSAVG: 348800 -14.6937 -13.4594 10.9094 -13.4593 5.58218 -36.8924 10.9094 -36.8924 -12.2982 GPRESSAVG: 348800 -15.2164 -9.95439 11.8209 -13.1092 5.96401 -37.7182 8.33115 -39.2044 -12.1042 TIMING: 348800 CPU: 1087.37, 0.00312363/step Wall: 1087.37, 0.00312363/step, 4.03572 hours remaining, 234.753906 MB of memory in use. ENERGY: 348800 4039.8504 20642.9693 14542.2683 242.7940 -202919.3345 2773.0637 0.0000 0.0000 51997.1541 -108681.2347 298.8284 -160678.3888 -108321.8616 299.9285 -49.5384 -25.4769 763685.8177 -7.1366 -7.1189 PRESSURE: 349000 -379.233 -57.7472 81.9606 -57.7464 -158.461 163.415 81.9608 163.414 -9.48223 GPRESSURE: 349000 -354.395 -23.6203 102.513 -249.124 -116.51 201.183 24.9487 141.661 -8.41219 PRESSAVG: 349000 10.7926 -34.3219 28.5895 -34.322 -16.1732 6.06107 28.5895 6.06111 18.2827 GPRESSAVG: 349000 10.7807 -34.0131 27.7395 -36.0907 -15.8993 5.75088 30.6978 8.41246 17.6283 TIMING: 349000 CPU: 1088, 0.00314757/step Wall: 1088, 0.00314757/step, 4.06648 hours remaining, 234.753906 MB of memory in use. ENERGY: 349000 4051.4983 20544.6859 14455.5202 243.2490 -203173.8520 2878.7619 0.0000 0.0000 52250.0120 -108750.1248 300.2815 -161000.1368 -108392.2415 299.5279 -182.3922 -159.7724 763842.4187 4.3007 4.1699 PRESSURE: 349200 5.77416 -221.899 -104.71 -221.899 -169.645 75.4964 -104.709 75.4964 524.877 GPRESSURE: 349200 7.55605 -267.869 -192.879 -226.196 -100.144 99.944 57.1354 -24.5103 499.625 PRESSAVG: 349200 4.49742 -63.6349 12.4401 -63.635 -10.0004 1.19952 12.4402 1.19944 1.50362 GPRESSAVG: 349200 4.88059 -66.5897 11.1981 -62.8545 -10.7643 0.0868675 13.9852 2.44893 1.11694 TIMING: 349200 CPU: 1088.62, 0.00314466/step Wall: 1088.62, 0.00314466/step, 4.06255 hours remaining, 234.753906 MB of memory in use. ENERGY: 349200 4002.2286 20511.3278 14507.0477 231.7253 -203130.4749 3194.7107 0.0000 0.0000 52023.1084 -108660.3265 298.9775 -160683.4349 -108291.8904 299.7288 120.3353 135.6789 764758.1475 -1.3331 -1.5889 PRESSURE: 349400 -170.504 -188.115 199.169 -188.115 3.94497 129.749 199.169 129.749 -240.684 GPRESSURE: 349400 -113.674 -245.8 195.054 -89.4165 52.6218 142.559 154.652 109.761 -292.589 PRESSAVG: 349400 1.89178 -86.3786 -27.0648 -86.3786 24.7007 -31.0965 -27.0649 -31.0965 -12.7004 GPRESSAVG: 349400 1.21081 -84.5994 -26.7462 -87.7723 24.3769 -30.0599 -28.7918 -31.9288 -12.1103 TIMING: 349400 CPU: 1089.25, 0.00310989/step Wall: 1089.25, 0.00310989/step, 4.01746 hours remaining, 234.753906 MB of memory in use. ENERGY: 349400 3993.2794 20777.1017 14549.8017 258.6686 -202985.3654 2809.5030 0.0000 0.0000 52066.0975 -108530.9134 299.2246 -160597.0109 -108170.7560 299.9074 -135.7478 -117.8805 765834.0088 4.6307 4.4925 PRESSURE: 349600 -113.52 83.462 8.89778 83.4623 -565.24 -51.756 8.89756 -51.7553 -58.7033 GPRESSURE: 349600 -86.5171 26.9731 -40.9475 119.127 -539.132 41.0369 -60.3566 -58.1204 -26.1454 PRESSAVG: 349600 -54.0109 -72.8366 22.9445 -72.8366 60.4519 -65.733 22.9445 -65.733 17.2148 GPRESSAVG: 349600 -54.0551 -73.5113 25.2935 -70.8992 60.8578 -64.7055 22.5827 -64.8651 17.1286 TIMING: 349600 CPU: 1089.87, 0.00311293/step Wall: 1089.87, 0.00311293/step, 4.02121 hours remaining, 234.753906 MB of memory in use. ENERGY: 349600 4018.6413 20654.7868 14546.2841 255.4243 -203011.5183 2897.9481 0.0000 0.0000 52187.0263 -108451.4075 299.9196 -160638.4338 -108081.0144 300.5687 -245.8211 -217.2649 765297.7895 7.8853 7.9771 PRESSURE: 349800 387.552 -157.556 -4.33861 -157.556 181.683 170.535 -4.33899 170.536 271.257 GPRESSURE: 349800 391.111 -74.4146 17.3119 -178.053 267.074 181.621 -61.1023 232.924 288.654 PRESSAVG: 349800 -8.24483 -58.4469 26.2817 -58.4469 41.7743 -14.0382 26.2817 -14.0382 0.704278 GPRESSAVG: 349800 -7.47494 -58.7389 25.2813 -57.5871 42.0906 -14.2383 26.6513 -13.5959 -0.528876 TIMING: 349800 CPU: 1090.49, 0.00311778/step Wall: 1090.49, 0.00311778/step, 4.0273 hours remaining, 234.753906 MB of memory in use. ENERGY: 349800 3999.9401 20453.0014 14561.0426 245.1572 -203531.3845 3406.3638 0.0000 0.0000 52552.3925 -108313.4869 302.0193 -160865.8794 -107943.3217 300.3624 280.1638 315.6128 763789.4210 11.4112 11.3623 PRESSURE: 350000 -81.7672 193.023 58.1978 193.023 124.799 -94.2347 58.198 -94.2337 265.951 GPRESSURE: 350000 15.8393 51.6202 57.286 272.143 130.186 -57.7196 -20.1742 -52.7696 258.349 PRESSAVG: 350000 -2.57156 -35.7692 -9.21835 -35.7692 3.45432 -3.55321 -9.21829 -3.55316 35.9107 GPRESSAVG: 350000 -3.04371 -36.8621 -9.51591 -36.682 2.57433 -2.41474 -9.06854 -5.12955 37.0862 TIMING: 350000 CPU: 1091.12, 0.00311768/step Wall: 1091.12, 0.00311768/step, 4.027 hours remaining, 234.753906 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: 350000 4057.4212 20632.4703 14558.9816 249.8552 -203759.2332 3363.6452 0.0000 0.0000 52498.4645 -108398.3953 301.7094 -160896.8598 -108030.9692 300.6073 102.9941 134.7915 764277.9938 12.2645 12.2056 PRESSURE: 350200 151.845 7.39916 44.0497 7.3976 192.321 -121.231 44.0493 -121.23 133.293 GPRESSURE: 350200 159.063 69.9615 38.0763 -52.9465 194.502 -98.553 -9.12749 -31.4773 218.18 PRESSAVG: 350200 26.4903 -27.6402 -42.8425 -27.6402 -85.8266 71.8465 -42.8426 71.8465 9.05668 GPRESSAVG: 350200 25.126 -26.2993 -42.2023 -27.1207 -85.4557 70.3514 -43.6037 72.8243 9.86513 TIMING: 350200 CPU: 1091.74, 0.00310276/step Wall: 1091.74, 0.00310276/step, 4.00756 hours remaining, 234.753906 MB of memory in use. ENERGY: 350200 4037.0038 20862.7590 14490.1891 238.6247 -203784.2201 2985.7220 0.0000 0.0000 52458.1837 -108711.7377 301.4779 -161169.9214 -108349.9391 300.3012 159.1526 190.5818 763991.1903 -16.7599 -16.8215 PRESSURE: 350400 179.511 -118.212 93.6465 -118.213 41.753 -18.2961 93.6467 -18.2961 175.944 GPRESSURE: 350400 203.99 -269.745 138.838 -11.2637 66.7847 -5.43958 53.7493 -2.81921 179.536 PRESSAVG: 350400 52.6649 -29.9068 12.2214 -29.9068 -54.6773 73.3131 12.2215 73.3132 19.3189 GPRESSAVG: 350400 53.1933 -29.3895 12.2219 -31.2713 -53.4563 73.3192 14.0847 72.4751 17.7679 TIMING: 350400 CPU: 1092.35, 0.00308926/step Wall: 1092.35, 0.00308926/step, 3.98995 hours remaining, 234.753906 MB of memory in use. ENERGY: 350400 3913.6654 20784.0584 14488.1609 255.4315 -203473.1771 3092.8036 0.0000 0.0000 52369.0952 -108569.9621 300.9659 -160939.0574 -108212.0156 299.5109 132.4027 150.1036 765431.3026 5.7688 5.8350 PRESSURE: 350600 257.27 -22.6722 -55.404 -22.6725 50.3584 -194.16 -55.4042 -194.161 478.773 GPRESSURE: 350600 262.739 -49.8805 16.9887 -122.923 93.5328 -237.597 -225.782 -41.5268 496.652 PRESSAVG: 350600 27.2004 0.147957 49.7867 0.147975 -26.1525 28.8989 49.7867 28.899 10.0584 GPRESSAVG: 350600 27.6604 -0.609472 52.4372 -0.836637 -26.3796 29.1404 46.6831 29.1753 9.86674 TIMING: 350600 CPU: 1092.98, 0.00310444/step Wall: 1092.98, 0.00310444/step, 4.00938 hours remaining, 234.753906 MB of memory in use. ENERGY: 350600 3990.3887 20768.0298 14450.9614 243.4039 -203052.7671 2923.0471 0.0000 0.0000 52248.8709 -108428.0654 300.2750 -160676.9363 -108069.3277 299.6544 262.1339 284.3081 764799.2758 3.7021 3.7159 PRESSURE: 350800 -286.684 -66.1285 -152.461 -66.1284 -156.085 -49.7325 -152.46 -49.7326 3.99796 GPRESSURE: 350800 -162.731 72.6787 -111.386 4.92796 -174.294 -117.552 -125.841 -86.9444 -26.5942 PRESSAVG: 350800 4.29283 -50.242 0.288781 -50.242 9.4363 -14.078 0.288827 -14.0781 -17.3191 GPRESSAVG: 350800 4.40359 -49.9462 -3.13657 -47.7006 8.65847 -13.8262 1.56321 -14.216 -16.5652 TIMING: 350800 CPU: 1093.6, 0.00311583/step Wall: 1093.6, 0.00311583/step, 4.02392 hours remaining, 234.753906 MB of memory in use. ENERGY: 350800 3995.1356 20556.5068 14460.8416 241.4232 -202942.1854 2752.4511 0.0000 0.0000 52580.3764 -108355.4508 302.1801 -160935.8272 -107986.6557 300.5355 -146.2571 -121.2062 765634.4128 -1.1967 -1.1677 PRESSURE: 351000 -316.722 10.1764 129.107 10.1766 -323.119 -215.387 129.107 -215.385 -318.025 GPRESSURE: 351000 -247.979 -35.1634 11.2411 -162.473 -352.766 -208.555 224.828 -133.79 -285.796 PRESSAVG: 351000 -26.1086 -11.0035 24.8331 -11.0035 25.8191 53.1594 24.8331 53.1594 -0.751918 GPRESSAVG: 351000 -25.9656 -10.4402 26.1572 -10.6511 25.5917 53.4707 23.5988 54.2547 -0.952743 TIMING: 351000 CPU: 1094.22, 0.00310686/step Wall: 1094.22, 0.00310686/step, 4.01216 hours remaining, 234.753906 MB of memory in use. ENERGY: 351000 4025.3037 20648.3505 14476.9206 240.1422 -202933.6218 2647.5134 0.0000 0.0000 52387.1270 -108508.2644 301.0695 -160895.3914 -108148.2837 300.5256 -319.2887 -295.5135 767246.7398 -0.3472 -0.4422 PRESSURE: 351200 -265.775 0.734477 13.4573 0.734128 203.129 -6.0469 13.4567 -6.04739 -189.939 GPRESSURE: 351200 -295.791 -71.0901 77.5834 95.9815 271.801 -7.2829 100.801 8.74292 -146.331 PRESSAVG: 351200 -19.851 -20.0699 4.0666 -20.0699 -10.0573 7.18139 4.0666 7.18136 9.3324 GPRESSAVG: 351200 -19.8997 -21.2248 3.76354 -21.3486 -9.99776 6.07989 5.91444 6.70668 9.31553 TIMING: 351200 CPU: 1094.84, 0.00310801/step Wall: 1094.84, 0.00310801/step, 4.01347 hours remaining, 234.753906 MB of memory in use. ENERGY: 351200 4086.0394 20902.1127 14524.4536 253.2501 -202997.8542 2647.3686 0.0000 0.0000 52131.6354 -108452.9944 299.6012 -160584.6298 -108093.5098 299.8889 -84.1950 -56.7735 765870.8126 -6.8587 -6.8606 PRESSURE: 351400 240.155 -177.042 -260.964 -177.043 -46.2964 43.0499 -260.963 43.0495 210.065 GPRESSURE: 351400 366.754 -108.341 -288.083 -92.0839 -92.6542 -2.12555 -208.151 174.629 190.428 PRESSAVG: 351400 -3.05749 11.8693 2.50112 11.8692 9.60141 -27.9746 2.50111 -27.9744 5.35126 GPRESSAVG: 351400 -1.67808 13.9414 3.73215 13.6622 8.35927 -27.8294 1.07847 -26.3314 5.58811 TIMING: 351400 CPU: 1095.46, 0.00310739/step Wall: 1095.46, 0.00310739/step, 4.0125 hours remaining, 234.753906 MB of memory in use. ENERGY: 351400 3946.6250 20753.2440 14514.3391 253.2506 -203040.2457 2869.3931 0.0000 0.0000 52330.5166 -108372.8773 300.7442 -160703.3938 -108012.8153 300.2968 134.6411 154.8425 763521.4979 3.9651 4.0898 PRESSURE: 351600 485.113 157.699 -140.718 157.699 163.163 -120.151 -140.717 -120.152 137.459 GPRESSURE: 351600 467.353 327.496 -253.423 177.839 159.185 -137.482 -257.856 -33.1051 240.123 PRESSAVG: 351600 -19.2803 13.3367 -22.3857 13.3366 20.1629 -10.0101 -22.3857 -10.0101 7.41315 GPRESSAVG: 351600 -19.3286 13.899 -24.0267 10.3711 19.532 -9.08599 -21.0915 -11.1859 8.15101 TIMING: 351600 CPU: 1096.08, 0.00309831/step Wall: 1096.08, 0.00309831/step, 4.00061 hours remaining, 234.753906 MB of memory in use. ENERGY: 351600 3996.8641 20843.6817 14488.5554 260.7886 -203023.0062 3035.0479 0.0000 0.0000 52190.7948 -108207.2737 299.9412 -160398.0685 -107837.4591 300.3326 261.9117 288.8868 766529.8801 2.7653 2.7848 PRESSURE: 351800 277.001 -34.7268 -2.53472 -34.726 148.852 8.89339 -2.5355 8.89297 -3.42937 GPRESSURE: 351800 326.272 -22.4152 50.8896 -89.1005 158.739 -3.212 -125.267 19.0021 12.6822 PRESSAVG: 351800 27.5568 -5.38664 10.1633 -5.3866 -22.0665 -16.1587 10.1633 -16.1587 26.9637 GPRESSAVG: 351800 25.576 -6.62796 8.67586 -4.10864 -20.9601 -17.6674 8.47758 -17.0831 27.2832 TIMING: 351800 CPU: 1096.7, 0.0030962/step Wall: 1096.7, 0.0030962/step, 3.99771 hours remaining, 234.753906 MB of memory in use. ENERGY: 351800 4041.5504 20614.9467 14461.5088 240.9351 -203072.6012 2982.0181 0.0000 0.0000 52352.6231 -108379.0189 300.8712 -160731.6421 -108015.0261 300.5251 140.8078 165.8978 765751.7889 10.8180 10.6330 PRESSURE: 352000 -104.885 -345.897 -211.728 -345.897 -173.796 -190.748 -211.728 -190.748 -63.1673 GPRESSURE: 352000 -113.455 -341.801 -254.739 -232.988 -115.705 -180.448 -55.1468 -121.234 -30.5053 PRESSAVG: 352000 0.515355 -40.2865 6.86786 -40.2865 -20.3469 -61.7244 6.86787 -61.7244 14.0786 GPRESSAVG: 352000 1.1905 -38.1279 8.18963 -41.2711 -19.8492 -60.2684 8.71358 -62.8158 12.6078 TIMING: 352000 CPU: 1097.33, 0.00312404/step Wall: 1097.33, 0.00312404/step, 4.03348 hours remaining, 234.753906 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: 352000 4047.8922 20449.8953 14412.2851 251.1032 -202561.0431 2816.7962 0.0000 0.0000 52066.0005 -108517.0708 299.2240 -160583.0712 -108151.4817 299.7727 -113.9495 -86.5549 766315.8763 -1.9177 -2.0170 PRESSURE: 352200 -117.756 -141.731 -219.261 -141.73 3.6427 113.021 -219.261 113.022 61.5306 GPRESSURE: 352200 -30.0052 -178.239 -274.781 -183.053 64.8103 100.301 -144.024 48.1614 1.58008 PRESSAVG: 352200 12.0472 -39.5265 10.1738 -39.5265 -67.3542 8.10512 10.1738 8.10509 -8.81317 GPRESSAVG: 352200 12.2306 -42.1533 9.4077 -39.8018 -67.3487 7.79033 9.34595 8.61175 -9.05613 TIMING: 352200 CPU: 1097.95, 0.00312088/step Wall: 1097.95, 0.00312088/step, 4.02923 hours remaining, 234.753906 MB of memory in use. ENERGY: 352200 4003.8536 20561.4392 14486.9275 247.5635 -202715.1791 2948.9441 0.0000 0.0000 51797.6701 -108668.7810 297.6819 -160466.4511 -108307.2755 299.2374 -17.5275 12.1284 766336.9705 -21.3734 -21.3914 LDB: ============= START OF LOAD BALANCING ============== 1110.43 LDB: ============== END OF LOAD BALANCING =============== 1110.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1110.43 LDB: ============= START OF LOAD BALANCING ============== 1110.74 LDB: Largest compute 7052 load 0.029893 is 15.3% of average load 0.194813 LDB: Average compute 0.004377 is 2.2% of average load 0.194813 LDB: TIME 1110.75 LOAD: AVG 0.194813 MAX 0.216551 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.527 MB LDB: TIME 1110.75 LOAD: AVG 0.194813 MAX 0.216551 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.621 MB LDB: TIME 1110.75 LOAD: AVG 0.194813 MAX 0.216551 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.621 MB LDB: ============== END OF LOAD BALANCING =============== 1110.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1110.75 PRESSURE: 352400 -233.584 107.643 -106.535 107.642 -333.298 -150.4 -106.536 -150.399 69.0706 GPRESSURE: 352400 -128.537 95.58 -111.21 68.9875 -332.103 -288.065 28.9663 -118.298 53.3603 PRESSAVG: 352400 47.2033 -7.45567 -38.4977 -7.45564 -74.3609 -14.9704 -38.4977 -14.9704 -6.29927 GPRESSAVG: 352400 47.8546 -6.04967 -38.5989 -6.51976 -74.9556 -17.0414 -35.833 -14.5557 -6.53377 TIMING: 352400 CPU: 1098.59, 0.00318288/step Wall: 1098.59, 0.00318288/step, 4.1091 hours remaining, 234.808594 MB of memory in use. ENERGY: 352400 3995.6582 20503.4973 14556.5507 263.5203 -202706.5109 2729.7899 0.0000 0.0000 52000.8035 -108656.6910 298.8493 -160657.4946 -108290.8977 299.4790 -165.9372 -135.7598 765365.2817 -11.1523 -11.2116 PRESSURE: 352600 -113.769 167.641 -37.0649 167.642 300.92 91.4395 -37.0649 91.4398 -100.109 GPRESSURE: 352600 -50.7658 144.638 6.02066 108.945 253.509 189.811 26.5767 -4.76933 -44.2921 PRESSAVG: 352600 12.1798 29.9722 -27.9232 29.9721 -6.40853 0.335932 -27.9232 0.335961 5.40083 GPRESSAVG: 352600 12.435 29.144 -25.8099 29.0223 -7.24947 1.2728 -30.0509 0.58507 6.33867 TIMING: 352600 CPU: 1099.21, 0.00310284/step Wall: 1099.21, 0.00310284/step, 4.00559 hours remaining, 234.878906 MB of memory in use. ENERGY: 352600 3975.0555 20616.7843 14529.9351 258.6292 -203038.0816 2855.7008 0.0000 0.0000 52311.5964 -108490.3802 300.6355 -160801.9766 -108134.4088 300.1089 29.0138 52.8171 763252.0920 3.7240 3.8414 PRESSURE: 352800 -67.8873 -107.459 -139.625 -107.459 -374.1 2.34662 -139.624 2.34593 -141.548 GPRESSURE: 352800 -116.655 -41.3685 -183.692 5.66475 -305.359 -98.5276 -274.485 -97.7342 -76.8631 PRESSAVG: 352800 -20.3007 -52.1268 -6.59838 -52.1267 23.9631 -5.95099 -6.59829 -5.95098 15.366 GPRESSAVG: 352800 -20.8134 -52.1987 -9.02303 -50.833 24.7857 -4.27083 -6.52279 -6.89056 14.6844 TIMING: 352800 CPU: 1099.83, 0.00310494/step Wall: 1099.83, 0.00310494/step, 4.00813 hours remaining, 234.878906 MB of memory in use. ENERGY: 352800 4004.3408 20692.4072 14514.1817 258.5602 -203293.6958 3028.0873 0.0000 0.0000 52139.7605 -108656.3580 299.6479 -160796.1185 -108288.3343 299.8888 -194.5116 -166.2921 764033.8479 6.3428 6.2189 PRESSURE: 353000 219.578 70.712 205.9 70.7119 -10.3924 87.5636 205.901 87.5639 182 GPRESSURE: 353000 277.331 26.0623 162.773 14.5282 68.6512 113.116 202.802 102.341 156.063 PRESSAVG: 353000 64.8398 -10.5362 -39.915 -10.5362 -83.8474 36.9551 -39.9151 36.9551 8.18644 GPRESSAVG: 353000 63.7143 -10.7379 -39.1275 -12.1715 -84.4384 36.6133 -41.8183 36.8057 9.99261 TIMING: 353000 CPU: 1100.45, 0.0031111/step Wall: 1100.45, 0.0031111/step, 4.01591 hours remaining, 234.878906 MB of memory in use. ENERGY: 353000 4042.0217 20392.5247 14520.8978 246.0981 -202739.2642 2897.2796 0.0000 0.0000 52067.8108 -108572.6314 299.2344 -160640.4422 -108217.1192 299.6212 130.3952 167.3481 764772.6207 -3.6070 -3.5772 PRESSURE: 353200 103.794 6.34438 -163.4 6.34471 136.544 -245.305 -163.4 -245.304 151.227 GPRESSURE: 353200 196.729 -97.0366 -120.636 -16.1039 206.142 -208.777 -67.9621 -246.702 78.5488 PRESSAVG: 353200 26.1578 -25.6696 -23.1234 -25.6696 17.3327 -28.9779 -23.1234 -28.9778 0.157217 GPRESSAVG: 353200 26.8794 -24.6352 -23.7608 -25.828 17.5262 -29.0071 -20.2071 -30.0112 -1.26155 TIMING: 353200 CPU: 1101.07, 0.00310885/step Wall: 1101.07, 0.00310885/step, 4.01284 hours remaining, 234.878906 MB of memory in use. ENERGY: 353200 3971.3211 20683.0190 14475.8519 238.3889 -203423.5950 3123.0901 0.0000 0.0000 52344.5042 -108587.4197 300.8246 -160931.9239 -108228.6865 300.1710 130.5217 160.4734 764039.9469 14.5493 14.3814 PRESSURE: 353400 94.7461 -29.4434 58.0426 -29.4435 -311.4 107.236 58.0435 107.235 149.969 GPRESSURE: 353400 97.7891 -119.236 38.9884 23.8865 -354.53 93.427 -10.7351 57.1415 262.265 PRESSAVG: 353400 21.0559 -54.8542 -20.6304 -54.8542 5.99295 -40.5137 -20.6305 -40.5137 30.8357 GPRESSAVG: 353400 21.5988 -56.4945 -20.2669 -51.7827 5.04792 -42.5257 -25.1805 -40.487 30.8507 TIMING: 353400 CPU: 1101.69, 0.00310574/step Wall: 1101.69, 0.00310574/step, 4.00865 hours remaining, 234.878906 MB of memory in use. ENERGY: 353400 4011.1298 20596.8205 14483.1407 245.9603 -203215.6533 3132.9777 0.0000 0.0000 52099.3447 -108646.2797 299.4157 -160745.6244 -108287.4230 300.0530 -22.2283 1.8414 765185.4705 19.2948 19.1658 PRESSURE: 353600 -200.687 124.934 62.4456 124.934 -267.974 -197.065 62.4453 -197.066 135.401 GPRESSURE: 353600 -151.583 145.786 122.034 155.37 -190.609 -129.833 -43.2205 -112.382 102.607 PRESSAVG: 353600 -33.1051 1.51521 5.23174 1.51519 37.8269 2.30624 5.2318 2.30627 -6.85158 GPRESSAVG: 353600 -32.5745 4.5943 5.22431 -1.47434 37.5593 5.79349 8.65723 2.93807 -6.71413 TIMING: 353600 CPU: 1102.32, 0.00312182/step Wall: 1102.32, 0.00312182/step, 4.02922 hours remaining, 234.878906 MB of memory in use. ENERGY: 353600 4013.0424 20638.9015 14475.0228 254.3051 -203187.7000 3021.2801 0.0000 0.0000 52011.3603 -108773.7879 298.9100 -160785.1482 -108412.7778 299.7865 -111.0867 -79.8615 764514.6250 -0.7099 -0.5764 PRESSURE: 353800 -38.9232 -77.162 249.875 -77.1631 -474.791 -42.067 249.874 -42.0665 -224.922 GPRESSURE: 353800 -182.969 -42.471 208.137 -86.0004 -280.817 -55.5037 276.477 -167.88 -185.503 PRESSAVG: 353800 44.0486 -14.2733 7.63376 -14.2733 -17.2564 5.83432 7.6337 5.83428 9.00078 GPRESSAVG: 353800 42.6248 -16.1395 7.59725 -13.7137 -15.7472 2.77472 5.63222 9.12048 9.27679 TIMING: 353800 CPU: 1102.94, 0.00310219/step Wall: 1102.94, 0.00310219/step, 4.00373 hours remaining, 234.878906 MB of memory in use. ENERGY: 353800 4045.6175 20561.3547 14502.5000 262.0190 -203019.1673 2697.8057 0.0000 0.0000 52122.7983 -108827.0722 299.5504 -160949.8705 -108458.0958 299.5777 -246.2121 -216.4296 762524.0933 11.9310 12.0515 PRESSURE: 354000 121.303 5.44067 -173.971 5.44056 -95.9639 122.197 -173.97 122.197 170.052 GPRESSURE: 354000 192.723 45.1921 -237.621 10.8238 -165.001 148.383 -55.4104 138.668 260.24 PRESSAVG: 354000 16.6086 12.4604 15.9046 12.4604 55.5929 13.4797 15.9046 13.4797 -2.4277 GPRESSAVG: 354000 17.3895 12.4486 14.9278 13.3833 54.4908 16.1889 16.8524 9.72808 -2.15152 TIMING: 354000 CPU: 1103.56, 0.00311213/step Wall: 1103.56, 0.00311213/step, 4.01638 hours remaining, 234.878906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 354000 3995.7609 20260.8266 14476.1056 223.4838 -202990.0461 2958.8209 0.0000 0.0000 52281.3397 -108793.7087 300.4616 -161075.0484 -108419.1204 299.3758 65.1306 95.9871 764354.2809 23.2579 23.2429 PRESSURE: 354200 -142.817 198.431 161.187 198.43 -162.742 4.36504 161.187 4.36555 53.8065 GPRESSURE: 354200 -55.3167 124.51 103.098 211.266 -159.21 -77.9933 192.899 -34.3463 25.8471 PRESSAVG: 354200 54.1875 35.3277 4.75918 35.3277 -1.00198 -10.0689 4.75917 -10.0689 3.21162 GPRESSAVG: 354200 53.7209 34.5115 4.67033 35.728 -0.438643 -11.8443 5.62045 -7.30725 2.85931 TIMING: 354200 CPU: 1104.19, 0.00312224/step Wall: 1104.19, 0.00312224/step, 4.02925 hours remaining, 234.878906 MB of memory in use. ENERGY: 354200 3951.5020 20516.4150 14438.5740 248.5057 -202635.8381 2640.9233 0.0000 0.0000 51939.6955 -108900.2226 298.4981 -160839.9181 -108538.0458 298.8587 -83.9175 -62.8932 763103.5537 18.7990 18.7139 PRESSURE: 354400 4.83945 -115.195 172.811 -115.194 -355.177 -51.6347 172.81 -51.6355 32.964 GPRESSURE: 354400 0.514042 -88.1101 197.202 -180.985 -202.342 -161.243 162.276 -67.8536 -28.7489 PRESSAVG: 354400 5.38667 -35.6504 17.391 -35.6504 -33.3898 -15.2048 17.3911 -15.2048 -4.54282 GPRESSAVG: 354400 5.99806 -34.4914 18.0391 -38.4532 -33.6853 -15.7391 16.6103 -15.0228 -5.21022 TIMING: 354400 CPU: 1104.81, 0.00311618/step Wall: 1104.81, 0.00311618/step, 4.02126 hours remaining, 234.878906 MB of memory in use. ENERGY: 354400 3963.8809 20401.0833 14463.3834 254.5984 -202402.4993 2498.9482 0.0000 0.0000 51739.1767 -109081.4285 297.3458 -160820.6052 -108708.9070 298.8943 -105.7913 -76.8590 762061.6057 -10.8486 -10.9658 PRESSURE: 354600 -63.06 184.794 -18.8121 184.794 137.401 287.602 -18.8112 287.601 397.569 GPRESSURE: 354600 52.2834 15.8927 14.3733 151.405 211.858 240.358 -65.8 373.008 318.35 PRESSAVG: 354600 25.6213 -1.19475 -40.0931 -1.19485 -48.4313 21.962 -40.0932 21.962 -7.18166 GPRESSAVG: 354600 25.4626 -1.85299 -37.6511 2.30431 -48.167 23.1401 -43.2158 20.6956 -7.03726 TIMING: 354600 CPU: 1105.43, 0.00310656/step Wall: 1105.43, 0.00310656/step, 4.00867 hours remaining, 234.878906 MB of memory in use. ENERGY: 354600 3884.4666 20504.0480 14473.8648 251.0224 -203033.8144 2981.7624 0.0000 0.0000 51818.6307 -109120.0196 297.8024 -160938.6503 -108753.0619 298.4852 157.3034 194.1640 762921.0104 -9.9972 -9.9139 PRESSURE: 354800 -238.379 -124.075 -178.408 -124.075 -291.429 129.741 -178.409 129.741 74.3506 GPRESSURE: 354800 -179.6 -148.91 -78.4472 -81.1572 -266.308 162.634 -109.367 22.554 66.8652 PRESSAVG: 354800 -11.6159 -42.0386 -41.2615 -42.0386 -24.7448 70.1882 -41.2615 70.1881 -3.97963 GPRESSAVG: 354800 -10.5529 -43.9662 -44.394 -42.3308 -24.5108 71.1413 -38.2349 69.4674 -4.62385 TIMING: 354800 CPU: 1106.05, 0.00310385/step Wall: 1106.05, 0.00310385/step, 4.005 hours remaining, 234.878906 MB of memory in use. ENERGY: 354800 3992.8768 20543.1191 14506.0049 245.3930 -202519.5034 2293.4231 0.0000 0.0000 52020.1993 -108918.4871 298.9608 -160938.6865 -108560.2862 299.0937 -151.8190 -126.3475 763442.3258 -13.4468 -13.2292 PRESSURE: 355000 -160.786 -148.933 -265.435 -148.934 176.465 239.897 -265.435 239.897 14.2782 GPRESSURE: 355000 17.9103 -173.116 -301.833 16.653 154.084 192.616 -174.428 273.598 -66.1841 PRESSAVG: 355000 -40.3543 -36.1977 -53.6468 -36.1976 51.8634 54.2022 -53.6468 54.2022 7.84349 GPRESSAVG: 355000 -40.2321 -35.0147 -53.0972 -35.3659 52.8397 53.5661 -52.965 57.2928 6.72012 TIMING: 355000 CPU: 1106.67, 0.00310519/step Wall: 1106.67, 0.00310519/step, 4.00656 hours remaining, 234.878906 MB of memory in use. ENERGY: 355000 3997.7831 20722.4973 14512.3630 245.0421 -203388.6067 3022.5217 0.0000 0.0000 51906.9763 -108981.4233 298.3101 -160888.3996 -108614.5185 298.9172 9.9855 35.2701 764162.3882 6.4509 6.4426 PRESSURE: 355200 -301.729 -109.467 121.444 -109.467 22.2918 -15.9538 121.444 -15.9538 -315.508 GPRESSURE: 355200 -298.697 26.8246 87.8475 -97.6534 12.9503 -5.62181 77.8164 67.2577 -214.858 PRESSAVG: 355200 -28.5198 -11.5517 18.3894 -11.5516 36.3748 -6.18826 18.3893 -6.18827 7.68471 GPRESSAVG: 355200 -29.1106 -9.19091 18.0111 -13.5616 35.6604 -8.42179 18.406 -5.98019 9.57281 TIMING: 355200 CPU: 1107.29, 0.00310065/step Wall: 1107.29, 0.00310065/step, 4.00052 hours remaining, 234.878906 MB of memory in use. ENERGY: 355200 4034.7420 20573.4880 14499.1531 252.9511 -203421.8938 3034.9542 0.0000 0.0000 51914.5218 -109112.0836 298.3535 -161026.6054 -108763.1266 299.0277 -198.3149 -166.8685 763696.0456 5.1799 5.3742 PRESSURE: 355400 -84.3639 149.347 120.691 149.347 -258.095 -54.9693 120.691 -54.9686 -210.315 GPRESSURE: 355400 -76.0653 2.09726 81.948 119.643 -110.519 -46.4005 74.0981 -29.1793 -312.368 PRESSAVG: 355400 10.3217 -36.9424 15.1987 -36.9424 -47.4901 9.84407 15.1986 9.84405 -10.2118 GPRESSAVG: 355400 10.2222 -37.6421 15.9515 -38.4923 -47.0712 12.7491 15.9036 8.42436 -10.28 TIMING: 355400 CPU: 1107.91, 0.00310333/step Wall: 1107.91, 0.00310333/step, 4.00382 hours remaining, 234.878906 MB of memory in use. ENERGY: 355400 4064.1490 20557.7657 14422.3987 272.4033 -203028.4705 2794.0001 0.0000 0.0000 51827.4805 -109090.2733 297.8532 -160917.7538 -108729.6227 298.6285 -184.2578 -166.3176 763494.4417 -15.7934 -15.7097 PRESSURE: 355600 -133.556 177.497 -209.198 177.497 230.937 -343.339 -209.198 -343.339 -210.991 GPRESSURE: 355600 -61.8243 296.825 -213.349 144.432 200.34 -338.603 -208.854 -233.703 -159.491 PRESSAVG: 355600 25.5523 30.6747 17.5123 30.6747 -39.5316 -2.79476 17.5124 -2.79483 5.4857 GPRESSAVG: 355600 26.4218 31.1069 17.3715 31.2239 -39.139 -2.45469 16.139 -4.25835 4.4353 TIMING: 355600 CPU: 1108.53, 0.00310442/step Wall: 1108.53, 0.00310441/step, 4.00504 hours remaining, 234.878906 MB of memory in use. ENERGY: 355600 3998.0770 20697.2131 14446.8932 255.6544 -203073.2242 2902.4024 0.0000 0.0000 51842.3601 -108930.6241 297.9388 -160772.9841 -108574.4471 298.6972 -37.8699 -6.9920 763389.7884 -2.8312 -2.7606 PRESSURE: 355800 47.411 108.526 -6.39569 108.526 84.4475 -39.1155 -6.39567 -39.116 169.476 GPRESSURE: 355800 135.005 94.8601 -75.6655 103.226 79.8892 -110.612 -25.3661 -9.2301 156.74 PRESSAVG: 355800 1.2897 43.8286 29.4491 43.8285 -16.0363 -51.3764 29.449 -51.3764 5.97805 GPRESSAVG: 355800 -0.271389 39.1886 29.7748 44.0208 -16.3598 -53.4695 28.8328 -50.2667 7.5875 TIMING: 355800 CPU: 1109.16, 0.00312303/step Wall: 1109.16, 0.00312304/step, 4.02889 hours remaining, 234.878906 MB of memory in use. ENERGY: 355800 3946.2898 20561.5834 14540.9124 258.9727 -203082.1327 2863.5035 0.0000 0.0000 52056.7985 -108854.0725 299.1711 -160910.8709 -108494.7319 299.2723 100.4447 123.8781 763623.7223 -2.9229 -3.0146 PRESSURE: 356000 325.819 25.6324 -168.708 25.6331 12.9101 187.038 -168.708 187.037 63.4599 GPRESSURE: 356000 337.505 83.5341 -112.867 -40.4551 56.9678 133.315 -94.1848 140.195 87.2379 PRESSAVG: 356000 33.2024 60.4563 -6.99954 60.4563 -9.04214 -10.6044 -6.99956 -10.6046 -3.1417 GPRESSAVG: 356000 34.5648 65.8674 -7.30531 58.5002 -8.98867 -10.7207 -7.3144 -10.9895 -4.22231 TIMING: 356000 CPU: 1109.78, 0.00311712/step Wall: 1109.78, 0.00311712/step, 4.02109 hours remaining, 234.878906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 356000 4076.7125 20632.1460 14477.8666 252.9647 -203599.2197 3110.4606 0.0000 0.0000 52279.2362 -108769.8332 300.4495 -161049.0693 -108413.3177 299.1829 134.0630 160.5702 762754.3644 7.0062 7.1179 PRESSURE: 356200 -46.3337 92.9427 197.683 92.9427 -347.329 -198.898 197.682 -198.898 -515.074 GPRESSURE: 356200 -55.8968 -107.982 46.5089 28.9827 -377.016 -203.285 258.455 -239.833 -409.363 PRESSAVG: 356200 -0.640442 54.347 56.3643 54.347 -2.92425 -22.6901 56.3643 -22.6901 31.6275 GPRESSAVG: 356200 -1.00942 51.3004 55.302 55.2208 -3.40974 -23.2664 58.3027 -22.4233 32.147 TIMING: 356200 CPU: 1110.4, 0.00311368/step Wall: 1110.4, 0.00311368/step, 4.01648 hours remaining, 234.878906 MB of memory in use. ENERGY: 356200 3982.8532 20654.1468 14529.3095 240.5844 -203013.4108 2863.7617 0.0000 0.0000 51972.1978 -108770.5574 298.6849 -160742.7552 -108402.1608 299.2277 -302.9123 -280.7586 764083.3513 9.3543 9.2426 LDB: ============= START OF LOAD BALANCING ============== 1122.88 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1122.88 LDB: =============== DONE WITH MIGRATION ================ 1122.88 LDB: ============= START OF LOAD BALANCING ============== 1123.2 LDB: Largest compute 7052 load 0.031165 is 16.0% of average load 0.194915 LDB: Average compute 0.004376 is 2.2% of average load 0.194915 LDB: TIME 1123.2 LOAD: AVG 0.194915 MAX 0.214417 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.836 MB LDB: TIME 1123.2 LOAD: AVG 0.194915 MAX 0.214417 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.84 MB LDB: TIME 1123.2 LOAD: AVG 0.194915 MAX 0.214417 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.84 MB LDB: ============== END OF LOAD BALANCING =============== 1123.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1123.21 PRESSURE: 356400 -229.903 -84.4883 184.728 -84.4886 -337.571 -195.119 184.727 -195.12 -409.968 GPRESSURE: 356400 -181.271 35.0571 226.486 -150.94 -314.883 -120.304 224.191 -102.432 -386.736 PRESSAVG: 356400 29.4519 14.476 54.5929 14.476 -26.1924 -85.8891 54.5929 -85.8891 17.1558 GPRESSAVG: 356400 30.1343 15.9559 56.478 13.7296 -26.3043 -83.8016 52.7377 -85.9643 16.7185 TIMING: 356400 CPU: 1111.04, 0.0031777/step Wall: 1111.04, 0.0031777/step, 4.09888 hours remaining, 234.093750 MB of memory in use. ENERGY: 356400 3979.0341 20562.7003 14425.9395 221.3933 -202523.6335 2371.4003 0.0000 0.0000 52131.8081 -108831.3580 299.6022 -160963.1660 -108470.0565 298.8871 -325.8139 -294.2966 764968.6907 6.8051 6.8495 PRESSURE: 356600 -343.756 2.4744 50.3956 2.47493 -88.3374 217.409 50.3955 217.409 -345.166 GPRESSURE: 356600 -430.651 18.2402 56.0611 -0.714424 -24.5406 258.436 86.1546 100.371 -239.754 PRESSAVG: 356600 29.091 -2.88318 19.4518 -2.88315 0.281899 0.298789 19.4519 0.298795 14.7992 GPRESSAVG: 356600 28.6468 -3.03661 18.3141 -0.783292 -0.424009 -1.44963 20.9879 1.63192 15.1686 TIMING: 356600 CPU: 1111.66, 0.00310589/step Wall: 1111.66, 0.00310589/step, 4.00608 hours remaining, 234.296875 MB of memory in use. ENERGY: 356600 3921.0795 20590.7085 14533.7925 250.3692 -202405.1731 2296.5345 0.0000 0.0000 51863.7953 -108948.8936 298.0619 -160812.6889 -108582.6224 298.5359 -259.0864 -231.6484 763988.9159 14.7240 14.4638 PRESSURE: 356800 316.99 66.7175 334.46 66.7179 -435.714 62.2833 334.461 62.2841 -50.6666 GPRESSURE: 356800 265.029 -58.9327 279.77 122.959 -313.481 98.8559 354.371 136.878 -41.847 PRESSAVG: 356800 -18.2243 45.7297 22.7166 45.7297 19.6383 -24.5977 22.7165 -24.5977 11.4237 GPRESSAVG: 356800 -18.5238 43.2346 24.0775 45.5728 19.8919 -22.7938 21.1529 -27.2189 11.551 TIMING: 356800 CPU: 1112.29, 0.00313089/step Wall: 1112.29, 0.00313089/step, 4.03815 hours remaining, 234.296875 MB of memory in use. ENERGY: 356800 3940.9417 20546.9046 14495.4350 248.5213 -202927.8918 2763.1056 0.0000 0.0000 51843.5716 -109089.4120 297.9457 -160932.9836 -108733.7708 299.0208 -56.4634 -30.0995 763432.7534 4.2792 4.3064 PRESSURE: 357000 -328.581 -82.3517 102.04 -82.352 -180.821 -137.779 102.039 -137.779 22.3305 GPRESSURE: 357000 -361.504 0.30615 121.677 28.4437 -130.927 -84.0628 120.174 -98.4321 98.5125 PRESSAVG: 357000 32.8796 -23.181 35.4684 -23.181 -15.4028 8.70578 35.4684 8.70572 6.76427 GPRESSAVG: 357000 32.8102 -21.7772 33.3051 -25.0394 -14.6572 7.77232 33.9193 10.8909 6.38247 TIMING: 357000 CPU: 1112.91, 0.00310972/step Wall: 1112.91, 0.00310972/step, 4.01067 hours remaining, 234.296875 MB of memory in use. ENERGY: 357000 4030.5375 20500.1115 14511.8358 238.1239 -202930.2395 2650.0023 0.0000 0.0000 52039.1689 -108960.4596 299.0698 -160999.6285 -108602.2451 298.7421 -162.3572 -131.3061 762369.0100 8.0804 8.1785 PRESSURE: 357200 -56.8628 155.293 -30.0363 155.294 -332.041 -2.81122 -30.036 -2.81198 81.1997 GPRESSURE: 357200 -26.1953 207.56 -73.0499 119.569 -236.486 -46.164 -51.7471 83.6054 23.9296 PRESSAVG: 357200 48.2004 1.27989 -38.7849 1.27988 -100.601 -16.7157 -38.7849 -16.7157 18.8569 GPRESSAVG: 357200 48.1447 1.87653 -39.171 3.18442 -99.5044 -18.6828 -37.1151 -15.4995 18.5524 TIMING: 357200 CPU: 1113.53, 0.00311051/step Wall: 1113.53, 0.00311051/step, 4.01152 hours remaining, 234.296875 MB of memory in use. ENERGY: 357200 3964.5174 20578.8244 14549.5966 228.2931 -203190.6127 2651.3069 0.0000 0.0000 52073.5276 -109144.5466 299.2673 -161218.0742 -108785.3529 299.1789 -102.5679 -79.5839 762412.7884 -11.1812 -10.9358 PRESSURE: 357400 -181.053 -75.4341 55.4093 -75.4342 108.52 14.5964 55.4093 14.5958 143.315 GPRESSURE: 357400 -125.037 -15.0412 5.99626 -63.629 127.52 2.93525 47.0797 51.1935 151.882 PRESSAVG: 357400 23.8825 50.7645 -24.9208 50.7645 -3.27942 -39.695 -24.9207 -39.6949 -27.1156 GPRESSAVG: 357400 24.5077 48.956 -24.9043 48.8871 -2.79785 -37.7618 -24.7776 -39.4948 -27.8034 TIMING: 357400 CPU: 1114.16, 0.0031334/step Wall: 1114.16, 0.0031334/step, 4.04087 hours remaining, 234.296875 MB of memory in use. ENERGY: 357400 3983.2658 20432.2823 14458.5593 258.3677 -203153.8419 2910.2679 0.0000 0.0000 51861.3767 -109249.7221 298.0480 -161111.0988 -108882.3863 298.7312 23.5938 51.4549 763476.8232 -2.1709 -2.0312 PRESSURE: 357600 -18.9937 -181.038 0.379278 -181.039 367.73 50.5265 0.379452 50.5266 19.4296 GPRESSURE: 357600 98.4307 -114.858 39.2876 -92.0526 335.696 66.6402 -7.91711 2.17999 14.924 PRESSAVG: 357600 -22.68 -10.192 -19.5559 -10.192 11.3484 -27.4418 -19.5558 -27.4418 -11.266 GPRESSAVG: 357600 -23.3238 -8.41608 -19.4465 -11.1011 9.60887 -29.4222 -17.9097 -26.807 -9.68043 TIMING: 357600 CPU: 1114.78, 0.00310005/step Wall: 1114.78, 0.00310005/step, 3.99769 hours remaining, 234.296875 MB of memory in use. ENERGY: 357600 3955.6699 20455.7836 14445.7611 248.8965 -203431.5537 3078.0028 0.0000 0.0000 52070.2134 -109177.2265 299.2482 -161247.4399 -108808.9045 298.7241 122.7220 149.6835 762435.0600 -7.5325 -7.7985 PRESSURE: 357800 -92.7737 -127.472 -146.76 -127.472 -215.925 -23.7271 -146.761 -23.727 119.724 GPRESSURE: 357800 -10.8323 -53.9022 -107.026 -91.2161 -211.989 -121.898 -154.227 -37.1292 115.553 PRESSAVG: 357800 -11.1419 24.9921 28.6111 24.9921 27.5078 -10.4693 28.6111 -10.4693 -2.86865 GPRESSAVG: 357800 -9.36415 25.1658 30.221 27.5828 26.4831 -7.84098 29.4289 -14.3487 -3.39929 TIMING: 357800 CPU: 1115.4, 0.00309885/step Wall: 1115.4, 0.00309885/step, 3.99597 hours remaining, 234.296875 MB of memory in use. ENERGY: 357800 4037.2725 20557.5211 14478.5565 244.1897 -203130.5112 2660.5107 0.0000 0.0000 52108.6604 -109043.8004 299.4692 -161152.4608 -108675.0491 299.0726 -62.9915 -35.7562 763652.2128 4.4991 4.5732 PRESSURE: 358000 147.84 87.104 107.331 87.1043 365.049 -175.529 107.331 -175.529 552.925 GPRESSURE: 358000 185.184 172.749 46.561 -55.4753 358.415 -105.251 192.731 -94.6021 586.434 PRESSAVG: 358000 -50.3897 -13.9919 7.52167 -13.9917 5.5348 3.96018 7.52174 3.96022 12.3927 GPRESSAVG: 358000 -51.2585 -13.0101 6.70943 -15.7026 6.5192 3.42212 5.9547 5.39445 12.6992 TIMING: 358000 CPU: 1116.02, 0.0031212/step Wall: 1116.02, 0.0031212/step, 4.02462 hours remaining, 234.296875 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: 358000 3996.3459 20843.9423 14457.2683 259.8184 -203624.0859 3183.2153 0.0000 0.0000 52130.1050 -108753.3907 299.5924 -160883.4956 -108393.9028 299.6648 355.2713 376.6777 763271.5863 -10.8207 -10.6801 PRESSURE: 358200 -79.8522 -76.1082 213.661 -76.1082 -145.019 -66.2168 213.661 -66.2166 -412.642 GPRESSURE: 358200 -129.917 -72.5148 157.993 19.3539 -59.6999 -22.0485 185.555 35.9413 -350.974 PRESSAVG: 358200 13.1881 10.0665 -7.32343 10.0665 -34.4095 52.9668 -7.32338 52.9668 20.7332 GPRESSAVG: 358200 11.9894 8.17574 -7.43313 12.1233 -32.7789 53.3586 -6.93142 54.6544 20.5674 TIMING: 358200 CPU: 1116.65, 0.00311992/step Wall: 1116.65, 0.00311992/step, 4.02279 hours remaining, 234.296875 MB of memory in use. ENERGY: 358200 4083.5584 20646.8891 14490.3200 228.1151 -202898.7184 2485.1484 0.0000 0.0000 52116.9157 -108847.7718 299.5166 -160964.6875 -108482.6618 299.2629 -212.5044 -180.1967 763494.8330 -0.1627 -0.0740 PRESSURE: 358400 84.2859 90.0607 145.23 90.0608 331.262 -55.4286 145.23 -55.4275 151.718 GPRESSURE: 358400 137.133 127.173 182.296 59.6039 368.799 -114.303 117.97 -74.5174 165.417 PRESSAVG: 358400 15.0804 6.33822 2.96284 6.33823 49.8585 51.562 2.96286 51.562 -9.98074 GPRESSAVG: 358400 16.4972 6.8802 2.18646 5.18326 49.4266 49.816 1.82624 49.8904 -9.85742 TIMING: 358400 CPU: 1117.27, 0.00310928/step Wall: 1117.27, 0.00310929/step, 4.0089 hours remaining, 234.296875 MB of memory in use. ENERGY: 358400 4045.7784 20565.9808 14460.0186 235.9377 -203513.9847 3149.2971 0.0000 0.0000 51946.2329 -109110.7391 298.5357 -161056.9720 -108755.1268 299.0459 189.0886 223.7828 763465.3932 18.3194 18.6888 PRESSURE: 358600 142.37 -11.6099 -291.44 -11.6099 -3.20728 79.9902 -291.44 79.9894 201.274 GPRESSURE: 358600 157.84 72.5377 -266.371 18.4385 54.145 41.9659 -191.616 99.3516 205.891 PRESSAVG: 358600 38.9957 -3.00625 2.11003 -3.00622 -67.0354 20.331 2.11005 20.331 5.43251 GPRESSAVG: 358600 38.7757 -0.284341 3.68029 -1.96852 -67.4764 21.4225 2.62871 19.061 5.60152 TIMING: 358600 CPU: 1117.89, 0.00310836/step Wall: 1117.89, 0.00310836/step, 4.00754 hours remaining, 234.296875 MB of memory in use. ENERGY: 358600 4046.2686 20499.0114 14450.5731 248.2107 -203556.2070 3176.4498 0.0000 0.0000 51995.1224 -109140.5711 298.8167 -161135.6935 -108781.7438 298.9913 113.4792 139.2918 763017.7544 -7.5357 -7.6997 PRESSURE: 358800 -135.681 320.806 -28.014 320.806 -455.275 -88.2234 -28.0143 -88.224 259.591 GPRESSURE: 358800 -158.622 310.269 -4.08599 167.408 -338.388 -189.017 -54.3843 -58.5839 246.334 PRESSAVG: 358800 106.858 -21.4013 34.4306 -21.4013 -74.2025 53.0644 34.4306 53.0644 16.9855 GPRESSAVG: 358800 106.507 -21.1245 33.6784 -23.7711 -73.2316 53.3873 33.4649 52.966 16.1018 TIMING: 358800 CPU: 1118.51, 0.00310859/step Wall: 1118.51, 0.00310859/step, 4.00766 hours remaining, 234.296875 MB of memory in use. ENERGY: 358800 3982.1676 20603.4280 14490.5988 250.8323 -203011.7464 2771.4887 0.0000 0.0000 51812.5936 -109100.6374 297.7677 -160913.2310 -108740.4079 299.0236 -110.4549 -83.5589 764891.5325 16.5469 16.4592 PRESSURE: 359000 -379.544 66.6916 54.1196 66.6921 -189.188 -132.544 54.1203 -132.544 -325.825 GPRESSURE: 359000 -356.022 33.6844 31.5709 106.068 -176.023 -159.646 160.527 -61.0124 -288.693 PRESSAVG: 359000 15.0637 34.5827 -7.89305 34.5827 -11.8927 2.53697 -7.89303 2.53698 -13.841 GPRESSAVG: 359000 14.7532 30.2522 -8.01667 36.6456 -11.9799 0.662588 -5.29132 2.36934 -13.8749 TIMING: 359000 CPU: 1119.13, 0.00311267/step Wall: 1119.13, 0.00311267/step, 4.01275 hours remaining, 234.296875 MB of memory in use. ENERGY: 359000 4006.9972 20502.2003 14482.8627 268.9208 -203541.9776 2983.7182 0.0000 0.0000 52314.1430 -108983.1354 300.6501 -161297.2783 -108608.5320 299.1467 -298.1858 -273.5790 763534.2747 -3.5566 -3.7005 PRESSURE: 359200 110.842 -21.8978 -47.8143 -21.8983 349.14 54.1902 -47.8142 54.1907 173.438 GPRESSURE: 359200 259.55 14.5595 -114.935 10.7395 256.225 -50.8378 55.8905 116.355 177.535 PRESSAVG: 359200 -2.55593 -33.5412 10.5251 -33.5412 -12.7212 56.5351 10.5251 56.5351 2.96876 GPRESSAVG: 359200 -0.969693 -31.4736 12.3265 -34.2946 -12.643 56.7624 10.2373 58.3866 1.21576 TIMING: 359200 CPU: 1119.76, 0.00310873/step Wall: 1119.76, 0.00310873/step, 4.0075 hours remaining, 234.296875 MB of memory in use. ENERGY: 359200 4001.9796 20656.6080 14532.2005 238.8544 -203544.2075 3107.2935 0.0000 0.0000 52119.0432 -108888.2284 299.5289 -161007.2716 -108515.8950 299.1366 211.1403 231.1030 764100.8368 -4.1028 -4.1323 PRESSURE: 359400 -131.407 38.2395 -70.355 38.2404 362.82 120.893 -70.3551 120.893 598.454 GPRESSURE: 359400 -108.869 69.1705 -51.9105 64.4013 454.286 40.9571 -2.04946 140.174 566.499 PRESSAVG: 359400 -4.03253 2.71044 8.35592 2.7104 -45.1527 43.203 8.35593 43.2029 -2.88247 GPRESSAVG: 359400 -4.44426 1.57727 4.82834 2.93624 -46.9853 42.5322 6.83018 45.1417 -1.04136 TIMING: 359400 CPU: 1120.38, 0.00313976/step Wall: 1120.38, 0.00313976/step, 4.04733 hours remaining, 234.296875 MB of memory in use. ENERGY: 359400 3914.0704 20380.4229 14458.4773 258.0368 -203099.3044 2998.3094 0.0000 0.0000 52141.5619 -108948.4257 299.6583 -161089.9876 -108579.3652 299.3252 276.6220 303.9720 764479.0729 -17.3559 -17.4903 PRESSURE: 359600 -164.603 106.177 -79.6016 106.177 -69.4581 167.994 -79.6016 167.994 115.367 GPRESSURE: 359600 -109.88 160.522 -52.1247 236.044 -10.6915 135.599 -6.20034 155.758 83.9278 PRESSAVG: 359600 11.338 -19.2169 1.09677 -19.217 -20.8424 92.2491 1.09683 92.2492 12.0979 GPRESSAVG: 359600 10.6663 -17.5235 5.20819 -19.4397 -20.4474 95.047 -0.0150415 89.4671 12.2759 TIMING: 359600 CPU: 1121.01, 0.00312782/step Wall: 1121.01, 0.00312782/step, 4.03176 hours remaining, 234.296875 MB of memory in use. ENERGY: 359600 4046.2271 20489.0171 14486.1178 248.4143 -203132.0395 2996.5422 0.0000 0.0000 51851.7118 -109014.0091 297.9925 -160865.7209 -108643.2935 299.2081 -39.5647 -12.2144 764354.3842 0.8645 0.8316 PRESSURE: 359800 286.422 175.863 84.0574 175.861 139.147 115.984 84.057 115.985 51.2305 GPRESSURE: 359800 279.619 169.85 54.5061 177.079 168.183 69.3851 87.0227 46.6525 112.844 PRESSAVG: 359800 8.47903 7.8431 -7.08289 7.84306 -44.3884 34.459 -7.08283 34.459 19.5213 GPRESSAVG: 359800 8.30095 6.97922 -9.01348 9.62563 -43.767 33.6287 -4.74233 33.3424 18.9873 TIMING: 359800 CPU: 1121.64, 0.00313529/step Wall: 1121.64, 0.00313529/step, 4.04122 hours remaining, 234.296875 MB of memory in use. ENERGY: 359800 3984.6504 20376.6484 14441.4015 252.7443 -203308.9645 3073.9676 0.0000 0.0000 51998.4517 -109181.1005 298.8358 -161179.5523 -108824.6784 298.7078 158.9332 186.8820 764081.8226 -5.4627 -5.4929 PRESSURE: 360000 -215.164 22.2839 151.131 22.2846 -201.56 -23.1564 151.131 -23.1559 -268.773 GPRESSURE: 360000 -236.624 -91.1582 201.162 -40.4125 -174.772 39.0504 93.8316 27.7183 -194.767 PRESSAVG: 360000 71.8564 -27.5229 15.0948 -27.5229 -54.9547 3.98238 15.0948 3.98247 8.73955 GPRESSAVG: 360000 72.0658 -27.2753 14.8131 -31.1389 -55.5403 2.98672 14.5457 6.3115 9.07443 TIMING: 360000 CPU: 1122.26, 0.00313899/step Wall: 1122.26, 0.00313899/step, 4.04581 hours remaining, 234.296875 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: 360000 3995.3345 20576.4087 14460.4479 241.0482 -203062.5117 2742.9795 0.0000 0.0000 52059.0553 -108987.2376 299.1841 -161046.2929 -108624.7610 298.4337 -228.4989 -202.0540 765153.5150 8.5471 8.5333 PRESSURE: 360200 -261.558 29.9776 72.0133 29.9777 -171.342 89.0391 72.0137 89.0396 70.3578 GPRESSURE: 360200 -222.617 92.061 143.136 -105.138 -82.5371 45.0392 119.175 86.4243 15.3352 PRESSAVG: 360200 12.6574 -14.5834 6.35824 -14.5834 -7.12401 17.8477 6.35823 17.8478 -10.0357 GPRESSAVG: 360200 12.0375 -15.1715 5.33834 -11.7415 -6.01648 17.1922 4.24276 18.7328 -10.8643 TIMING: 360200 CPU: 1122.89, 0.00314632/step Wall: 1122.89, 0.00314632/step, 4.05508 hours remaining, 234.296875 MB of memory in use. ENERGY: 360200 4013.1429 20597.7514 14546.4087 229.5766 -203268.4658 2800.3352 0.0000 0.0000 51999.4649 -109081.7861 298.8416 -161081.2510 -108723.9439 298.9250 -120.8472 -96.6062 764866.0754 -1.5008 -1.6144 LDB: ============= START OF LOAD BALANCING ============== 1135.37 LDB: ============== END OF LOAD BALANCING =============== 1135.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1135.38 LDB: ============= START OF LOAD BALANCING ============== 1135.69 LDB: Largest compute 7052 load 0.030994 is 15.9% of average load 0.194797 LDB: Average compute 0.004410 is 2.3% of average load 0.194797 LDB: TIME 1135.69 LOAD: AVG 0.194797 MAX 0.215127 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.863 MB LDB: TIME 1135.69 LOAD: AVG 0.194797 MAX 0.215127 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.066 MB LDB: TIME 1135.69 LOAD: AVG 0.194797 MAX 0.215127 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.066 MB LDB: ============== END OF LOAD BALANCING =============== 1135.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1135.7 PRESSURE: 360400 -269.667 74.8314 -239.438 74.8309 157.831 68.478 -239.437 68.4775 273.787 GPRESSURE: 360400 -202.72 36.6385 -230.647 186.434 197.753 -5.52071 -173.729 46.5514 252.806 PRESSAVG: 360400 13.9109 2.46408 8.43215 2.46403 0.340714 -8.50419 8.4322 -8.50415 19.5501 GPRESSAVG: 360400 14.3637 2.23895 10.0623 2.79039 -0.1413 -8.57347 9.16616 -9.88568 19.5986 TIMING: 360400 CPU: 1123.53, 0.00320237/step Wall: 1123.53, 0.00320237/step, 4.12715 hours remaining, 234.609375 MB of memory in use. ENERGY: 360400 4040.7237 20503.6520 14494.3191 243.9090 -203139.8096 2977.5758 0.0000 0.0000 51925.3629 -108954.2672 298.4158 -160879.6301 -108589.3865 298.7508 53.9838 82.6128 763679.9695 11.2672 11.2737 PRESSURE: 360600 -4.72659 -81.6271 23.0173 -81.6267 9.3932 -141.61 23.0178 -141.61 216.371 GPRESSURE: 360600 -6.24786 -20.01 91.9944 -75.6949 52.6263 -133.438 72.8074 -55.79 271.84 PRESSAVG: 360600 73.4438 27.9056 20.8951 27.9056 -36.1271 53.7054 20.8951 53.7054 -19.9609 GPRESSAVG: 360600 74.528 28.8244 19.7542 27.6721 -36.9783 54.732 22.1927 53.3804 -19.9519 TIMING: 360600 CPU: 1124.16, 0.00310965/step Wall: 1124.16, 0.00310965/step, 4.00747 hours remaining, 234.609375 MB of memory in use. ENERGY: 360600 4048.0339 20499.3072 14487.8867 228.6567 -203401.0575 3030.9985 0.0000 0.0000 52224.1865 -108881.9880 300.1331 -161106.1745 -108520.9950 299.2447 73.6791 106.0727 763163.7865 5.7853 5.8659 PRESSURE: 360800 -194.435 36.076 39.4971 36.0761 -143.377 -46.2682 39.4973 -46.2683 -174.616 GPRESSURE: 360800 -148.268 -28.0137 -12.3626 -68.9067 -223.706 -66.0367 -22.3869 -88.8942 -41.1613 PRESSAVG: 360800 52.2221 -16.0265 -1.4474 -16.0265 -63.0376 32.8559 -1.44742 32.8559 -11.3509 GPRESSAVG: 360800 51.1437 -18.6391 0.199662 -15.9063 -61.6365 32.3344 -4.16118 33.4836 -11.8697 TIMING: 360800 CPU: 1124.78, 0.00311026/step Wall: 1124.78, 0.00311026/step, 4.00809 hours remaining, 234.609375 MB of memory in use. ENERGY: 360800 4016.2588 20475.3036 14564.5542 234.2367 -202867.4528 2738.7536 0.0000 0.0000 52101.9869 -108736.3590 299.4308 -160838.3459 -108384.2721 299.6227 -170.8095 -137.7115 764031.6919 -7.3888 -7.4542 PRESSURE: 361000 9.79654 192.213 -78.286 192.213 367.679 121.924 -78.2858 121.924 -219.339 GPRESSURE: 361000 49.3727 145.749 -184.106 76.7209 345.502 111.005 -31.4794 212.852 -164.69 PRESSAVG: 361000 -17.9189 14.3806 0.332897 14.3806 -6.68725 19.0254 0.332895 19.0255 7.99262 GPRESSAVG: 361000 -17.3407 17.0395 -1.92582 10.945 -6.53909 20.205 0.637887 17.9681 7.78277 TIMING: 361000 CPU: 1125.4, 0.00310873/step Wall: 1125.4, 0.00310873/step, 4.00595 hours remaining, 234.609375 MB of memory in use. ENERGY: 361000 4050.6126 20601.2828 14454.9526 248.6968 -203912.3977 3464.4831 0.0000 0.0000 52145.3033 -108947.0664 299.6798 -161092.3698 -108588.6665 299.6789 52.7122 76.7282 763354.8359 -5.5378 -5.3657 PRESSURE: 361200 -11.2594 -56.3641 114.395 -56.3639 -230.947 -4.27111 114.396 -4.27068 24.3322 GPRESSURE: 361200 13.4549 -146.657 225.625 -26.0185 -148.858 -15.6306 24.6286 51.522 -21.6014 PRESSAVG: 361200 28.4402 -16.4399 -18.292 -16.44 -14.9615 53.6639 -18.292 53.6639 3.55713 GPRESSAVG: 361200 29.7765 -19.7437 -17.4195 -12.4414 -17.2839 51.9315 -19.0478 56.2359 4.34818 TIMING: 361200 CPU: 1126.02, 0.00310796/step Wall: 1126.02, 0.00310797/step, 4.00479 hours remaining, 234.609375 MB of memory in use. ENERGY: 361200 4083.2810 20532.3576 14517.7183 247.1453 -203594.8689 3289.9005 0.0000 0.0000 51970.9173 -108953.5488 298.6776 -160924.4662 -108601.8832 299.1650 -72.6246 -52.3350 764477.1700 5.6786 5.6136 PRESSURE: 361400 53.5503 -31.2423 -12.3659 -31.2425 -130.442 -305.899 -12.3651 -305.899 258.094 GPRESSURE: 361400 6.91043 32.6668 -48.6568 10.5445 -31.5455 -323.371 -183.383 -287.911 283.667 PRESSAVG: 361400 20.7275 35.3893 -41.0961 35.3893 -36.8843 -0.285535 -41.0962 -0.28547 19.8351 GPRESSAVG: 361400 19.2606 36.1015 -40.1712 33.7143 -35.6444 -0.492897 -39.7231 -0.622097 20.4329 TIMING: 361400 CPU: 1126.65, 0.00312504/step Wall: 1126.65, 0.00312504/step, 4.02662 hours remaining, 234.609375 MB of memory in use. ENERGY: 361400 4035.3680 20570.0236 14472.9741 241.9582 -203114.8678 2779.1772 0.0000 0.0000 51820.3949 -109194.9718 297.8125 -161015.3667 -108830.2472 298.7445 60.4006 86.3439 763362.9623 1.2261 1.3497 PRESSURE: 361600 -27.5425 -91.6895 -81.7805 -91.6901 173.092 110.569 -81.7805 110.571 326.068 GPRESSURE: 361600 61.4223 -104.673 -135.637 -145.036 244.103 83.7117 -83.7464 89.5857 264.254 PRESSAVG: 361600 20.9125 11.3842 -46.376 11.3842 0.495047 -30.0408 -46.376 -30.0409 -11.6974 GPRESSAVG: 361600 21.7099 12.0724 -46.7968 12.1779 2.09018 -31.1599 -45.4504 -31.8102 -12.9492 TIMING: 361600 CPU: 1127.27, 0.00312042/step Wall: 1127.27, 0.00312042/step, 4.02048 hours remaining, 234.609375 MB of memory in use. ENERGY: 361600 3923.3369 20416.4280 14444.2587 224.5867 -203339.5488 3026.6286 0.0000 0.0000 51991.2857 -109313.0242 298.7946 -161304.3099 -108950.7450 298.5353 157.2056 189.9265 763230.1333 3.2367 3.6169 PRESSURE: 361800 -16.5832 80.8109 -235.698 80.8114 247.265 26.1409 -235.698 26.1409 329.461 GPRESSURE: 361800 102.179 31.2109 -176.668 55.8952 206.122 -43.9171 -199.042 125.423 352.03 PRESSAVG: 361800 38.083 15.323 5.68148 15.323 -52.3063 31.9876 5.68147 31.9875 26.1455 GPRESSAVG: 361800 37.3459 15.5253 6.0521 13.0004 -53.0324 32.9364 6.82902 34.5699 27.0653 TIMING: 361800 CPU: 1127.9, 0.0031339/step Wall: 1127.9, 0.0031339/step, 4.03769 hours remaining, 234.609375 MB of memory in use. ENERGY: 361800 3910.8860 20407.9043 14375.0639 258.9341 -203141.9528 2914.3324 0.0000 0.0000 51967.5254 -109307.3067 298.6581 -161274.8321 -108949.2204 298.1198 186.7144 220.1106 762804.8439 3.9741 3.7930 PRESSURE: 362000 243.281 -172.963 116.596 -172.963 307.307 66.3386 116.596 66.3382 94.2923 GPRESSURE: 362000 256.697 -149.7 108.592 -157.784 324.93 83.735 101.632 46.753 145.334 PRESSAVG: 362000 -23.9377 9.34613 -13.573 9.34611 2.42271 11.668 -13.573 11.6681 5.03598 GPRESSAVG: 362000 -22.4472 8.82938 -15.0031 11.2036 2.01314 10.055 -15.9687 9.5096 4.11665 TIMING: 362000 CPU: 1128.52, 0.00310533/step Wall: 1128.52, 0.00310533/step, 4.0007 hours remaining, 234.609375 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: 362000 3899.7874 20440.3446 14590.8910 247.5471 -203774.5885 3319.8692 0.0000 0.0000 51962.8173 -109313.3318 298.6310 -161276.1491 -108950.8388 298.6449 214.9599 242.3204 763897.8378 -5.4930 -5.4391 PRESSURE: 362200 77.9404 20.6981 -34.6631 20.698 -138.571 340.109 -34.6626 340.11 -402.998 GPRESSURE: 362200 100.746 14.7029 -13.6082 52.3723 -87.8974 331.005 -34.788 208.175 -387.07 PRESSAVG: 362200 12.1719 -10.7375 -15.4401 -10.7375 -27.4996 28.6553 -15.4401 28.6552 11.8549 GPRESSAVG: 362200 10.5002 -9.83343 -16.1601 -11.0239 -26.929 30.0801 -14.3002 30.0039 12.4747 TIMING: 362200 CPU: 1129.14, 0.00311731/step Wall: 1129.14, 0.00311731/step, 4.01596 hours remaining, 234.609375 MB of memory in use. ENERGY: 362200 3949.1284 20533.2527 14533.5201 251.6496 -202922.1980 2755.3279 0.0000 0.0000 52037.5026 -108861.8168 299.0602 -160899.3194 -108494.1048 298.8480 -154.5428 -124.7404 766091.5107 -1.1576 -1.3180 PRESSURE: 362400 -361.04 6.51406 22.7504 6.51395 -263.7 1.79439 22.7503 1.79408 -114.216 GPRESSURE: 362400 -233.68 -22.0874 -98.6508 9.92952 -300.324 -14.6779 39.8623 102.815 -131.941 PRESSAVG: 362400 14.809 8.45653 -1.75358 8.45658 -35.6197 51.4625 -1.75353 51.4625 22.6434 GPRESSAVG: 362400 16.6942 6.63941 -0.469391 6.34297 -36.6288 50.9254 -2.08405 53.525 21.5419 TIMING: 362400 CPU: 1129.77, 0.00311542/step Wall: 1129.77, 0.00311542/step, 4.01335 hours remaining, 234.609375 MB of memory in use. ENERGY: 362400 3972.3332 20574.0376 14485.0892 248.6611 -202796.2996 2667.0935 0.0000 0.0000 51876.0577 -108973.0272 298.1324 -160849.0849 -108612.4443 299.1822 -246.3190 -221.9817 766457.5160 0.6109 0.5358 PRESSURE: 362600 161.316 52.2983 -14.0512 52.299 299.922 191.729 -14.0505 191.73 -147.691 GPRESSURE: 362600 238.977 -168.237 8.72181 67.1786 212.4 228.781 32.6646 125.89 -46.7728 PRESSAVG: 362600 83.3698 24.6964 -23.5696 24.6964 -74.3168 -16.4443 -23.5696 -16.4443 -9.62528 GPRESSAVG: 362600 82.4688 23.3702 -23.1648 25.9849 -74.0478 -15.7602 -22.9119 -20.0332 -8.43598 TIMING: 362600 CPU: 1130.39, 0.00312027/step Wall: 1130.39, 0.00312027/step, 4.01943 hours remaining, 234.609375 MB of memory in use. ENERGY: 362600 4035.7395 20401.5172 14522.3781 265.6533 -203112.4909 2952.6489 0.0000 0.0000 52215.3860 -108719.1680 300.0825 -160934.5540 -108358.1433 298.9590 104.5159 134.8679 763743.6577 -0.1907 -0.0050 PRESSURE: 362800 361.256 -110.107 5.14934 -110.107 -337.855 194.253 5.14954 194.252 217.511 GPRESSURE: 362800 344.33 -102.357 -15.9216 -153.817 -247.619 111.481 -45.143 201.384 201.129 PRESSAVG: 362800 46.7649 -7.15351 0.114529 -7.15348 -59.154 5.15237 0.114492 5.1523 15.9262 GPRESSAVG: 362800 47.0533 -4.04168 -0.731897 -8.23108 -59.2257 5.44599 -0.110858 4.68008 15.7184 TIMING: 362800 CPU: 1131.01, 0.00310478/step Wall: 1131.01, 0.00310478/step, 3.99931 hours remaining, 234.609375 MB of memory in use. ENERGY: 362800 3973.4459 20596.6432 14495.0048 253.5929 -202991.2419 2814.4386 0.0000 0.0000 52193.2495 -108664.8669 299.9553 -160858.1164 -108300.3271 299.7116 80.3040 99.2800 766296.3246 1.1790 1.1820 PRESSURE: 363000 -208.031 -129.608 -124.346 -129.608 264.299 -224.995 -124.346 -224.994 -44.3741 GPRESSURE: 363000 -198.76 -183.947 -150.404 -161.363 253.684 -147.241 -150.337 -129.464 23.9942 PRESSAVG: 363000 47.3858 -37.2654 -3.68603 -37.2654 -47.9897 9.91673 -3.68605 9.91672 -21.619 GPRESSAVG: 363000 46.771 -37.9399 -4.03241 -34.6582 -48.3957 9.9898 -4.9584 12.3434 -21.0672 TIMING: 363000 CPU: 1131.64, 0.00313118/step Wall: 1131.64, 0.00313118/step, 4.03314 hours remaining, 234.609375 MB of memory in use. ENERGY: 363000 4024.4818 20580.1967 14476.2684 247.5148 -202818.8219 2587.8513 0.0000 0.0000 52110.4026 -108792.1061 299.4792 -160902.5088 -108424.0072 299.5108 3.9647 26.3059 764899.7681 -7.4076 -7.5640 PRESSURE: 363200 -98.119 -118.312 169.729 -118.311 -26.7326 65.4093 169.729 65.4095 206.98 GPRESSURE: 363200 -43.166 -132.456 189.273 -148.372 67.9195 14.4496 117.891 40.7614 131.679 PRESSAVG: 363200 22.7354 -83.734 -15.2792 -83.7341 -46.7887 30.4497 -15.2792 30.4497 5.58657 GPRESSAVG: 363200 22.6667 -83.4596 -14.0211 -84.842 -45.6915 30.7771 -13.4678 29.6494 4.70052 TIMING: 363200 CPU: 1132.26, 0.0031379/step Wall: 1132.26, 0.0031379/step, 4.04162 hours remaining, 234.609375 MB of memory in use. ENERGY: 363200 4002.5466 20428.0339 14494.0316 254.7738 -203049.0431 2794.4227 0.0000 0.0000 52077.8783 -108997.3562 299.2923 -161075.2344 -108627.4243 298.9558 27.3761 52.1441 766161.3130 -6.1556 -6.1081 PRESSURE: 363400 -129.875 -51.5624 208.827 -51.5618 -315.605 83.2529 208.826 83.2528 -208.703 GPRESSURE: 363400 -129.022 9.00376 175.241 -68.5275 -245.819 13.4291 130.907 24.8996 -206.799 PRESSAVG: 363400 -0.160964 -44.6304 -21.1102 -44.6303 -8.74976 -68.3877 -21.1102 -68.3877 9.33664 GPRESSAVG: 363400 0.497713 -45.5018 -22.4379 -43.5664 -8.67476 -67.9493 -21.0656 -69.008 9.06132 TIMING: 363400 CPU: 1132.88, 0.00310479/step Wall: 1132.88, 0.00310479/step, 3.9988 hours remaining, 234.609375 MB of memory in use. ENERGY: 363400 4058.6036 20661.9342 14522.2752 241.7113 -203280.8950 2956.2775 0.0000 0.0000 51913.6758 -108926.4174 298.3486 -160840.0933 -108566.4657 298.9152 -218.0612 -193.8798 765524.0847 0.1420 0.2948 PRESSURE: 363600 -36.3211 36.0241 142.222 36.0235 -394.518 255.375 142.222 255.374 -188.914 GPRESSURE: 363600 15.1288 107.256 124.588 113.075 -476.911 279.124 205.366 260.118 -76.7232 PRESSAVG: 363600 14.7091 -19.7878 13.4616 -19.7877 25.861 -5.53848 13.4616 -5.53849 11.0954 GPRESSAVG: 363600 15.4851 -19.4825 13.994 -20.7812 24.9013 -5.36793 13.8928 -5.06424 11.621 TIMING: 363600 CPU: 1133.51, 0.00312411/step Wall: 1133.51, 0.00312411/step, 4.0235 hours remaining, 234.609375 MB of memory in use. ENERGY: 363600 4005.4331 20653.5537 14619.8434 254.1092 -203210.6946 2782.5921 0.0000 0.0000 52041.3984 -108853.7647 299.0826 -160895.1630 -108496.1361 299.0787 -206.5844 -179.5016 764634.7286 17.2218 17.3358 PRESSURE: 363800 -27.3302 -293.073 -106.576 -293.073 -68.2889 -156.346 -106.575 -156.346 48.8693 GPRESSURE: 363800 84.4894 -235.619 -41.6055 -167.646 -1.06892 -146.558 -96.9724 -248.928 -59.829 PRESSAVG: 363800 -32.559 -34.0136 22.6309 -34.0136 24.5932 -26.1904 22.631 -26.1904 1.58267 GPRESSAVG: 363800 -33.3479 -35.3526 23.776 -32.9924 25.8078 -25.9089 21.04 -25.1815 0.685396 TIMING: 363800 CPU: 1134.13, 0.00310259/step Wall: 1134.13, 0.00310259/step, 3.99562 hours remaining, 234.609375 MB of memory in use. ENERGY: 363800 3987.3383 20483.4822 14523.7374 255.8411 -203319.0256 2887.7238 0.0000 0.0000 52452.4048 -108728.4982 301.4447 -161180.9029 -108358.9170 299.7807 -15.5833 7.8638 765733.3990 -2.1277 -2.2849 PRESSURE: 364000 24.5253 -35.4155 62.7256 -35.4151 14.8706 18.7775 62.7247 18.7756 39.8429 GPRESSURE: 364000 129.066 -101.295 46.8431 -200.441 49.165 63.1864 -65.4421 45.6306 -17.0035 PRESSAVG: 364000 16.9211 -36.2638 9.15846 -36.2638 -10.4266 -14.2186 9.15848 -14.2186 -16.627 GPRESSAVG: 364000 16.6959 -36.5453 9.91778 -36.3587 -10.6408 -13.8594 7.90105 -16.9277 -16.0061 TIMING: 364000 CPU: 1134.75, 0.00310879/step Wall: 1134.75, 0.00310879/step, 4.00343 hours remaining, 234.609375 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: 364000 4041.4608 20608.6460 14573.4404 267.7670 -203310.1449 3239.6836 0.0000 0.0000 51995.7087 -108583.4385 298.8201 -160579.1472 -108223.2238 299.6631 26.4129 53.7427 764481.3205 -3.3775 -3.3170 PRESSURE: 364200 28.1341 -133.025 -29.3576 -133.024 254.337 -137.517 -29.3578 -137.517 96.379 GPRESSURE: 364200 43.6601 -122.799 40.1834 -111.637 231.172 -104.46 80.0964 -119.91 189.172 PRESSAVG: 364200 11.4717 -50.0467 23.0095 -50.0467 -20.4614 -59.2071 23.0096 -59.2071 -10.9377 GPRESSAVG: 364200 11.96 -49.1804 21.7286 -50.4533 -22.4133 -59.461 23.6264 -57.0174 -9.74191 TIMING: 364200 CPU: 1135.37, 0.00311345/step Wall: 1135.37, 0.00311345/step, 4.00926 hours remaining, 234.609375 MB of memory in use. ENERGY: 364200 4000.4181 20796.0989 14542.4286 258.1568 -203121.4575 2919.1960 0.0000 0.0000 52315.5514 -108289.6077 300.6582 -160605.1591 -107935.2312 300.2892 126.2833 154.6681 764123.4493 -6.6424 -6.7317 LDB: ============= START OF LOAD BALANCING ============== 1147.85 LDB: ============== END OF LOAD BALANCING =============== 1147.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1147.86 LDB: ============= START OF LOAD BALANCING ============== 1148.17 LDB: Largest compute 7052 load 0.030103 is 15.4% of average load 0.194930 LDB: Average compute 0.004376 is 2.2% of average load 0.194930 LDB: TIME 1148.17 LOAD: AVG 0.19493 MAX 0.215208 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.527 MB LDB: TIME 1148.17 LOAD: AVG 0.19493 MAX 0.215208 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.527 MB LDB: TIME 1148.17 LOAD: AVG 0.19493 MAX 0.215208 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.527 MB LDB: ============== END OF LOAD BALANCING =============== 1148.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1148.18 PRESSURE: 364400 -70.3096 -273 151.546 -273 24.445 38.5058 151.545 38.5056 278.043 GPRESSURE: 364400 0.13682 -200.286 96.9219 -224.466 9.63289 -0.7976 132.689 38.2043 295.122 PRESSAVG: 364400 -49.3437 -20.1773 -10.0167 -20.1772 -1.16699 -20.2446 -10.0167 -20.2446 8.25006 GPRESSAVG: 364400 -49.1832 -19.1458 -9.05804 -18.9819 0.641824 -19.4346 -10.1094 -18.9819 6.31257 TIMING: 364400 CPU: 1136.01, 0.00319335/step Wall: 1136.01, 0.00319335/step, 4.11198 hours remaining, 234.039062 MB of memory in use. ENERGY: 364400 4067.2347 20682.5648 14480.5989 258.5654 -203201.3752 3011.5006 0.0000 0.0000 52359.4205 -108341.4904 300.9103 -160700.9109 -107966.5030 300.2832 77.3927 101.6306 765310.5905 -14.0869 -14.0763 PRESSURE: 364600 -223.421 -154.49 -29.3254 -154.49 120.022 -182.39 -29.3249 -182.39 25.2082 GPRESSURE: 364600 -174.837 -127.937 -80.1786 -182.601 135.904 -23.5109 91.9915 -197.298 32.8513 PRESSAVG: 364600 -17.9287 -44.4362 0.0528431 -44.4362 11.5634 27.6624 0.0529419 27.6624 5.77984 GPRESSAVG: 364600 -17.759 -44.9133 0.866846 -41.6389 11.8015 28.1384 0.436671 26.7834 5.33134 TIMING: 364600 CPU: 1136.64, 0.00311243/step Wall: 1136.64, 0.00311243/step, 4.0076 hours remaining, 234.238281 MB of memory in use. ENERGY: 364600 4043.6993 20565.6688 14571.4069 246.4708 -203131.3471 2901.6833 0.0000 0.0000 52387.8667 -108414.5512 301.0738 -160802.4179 -108048.7735 300.2829 -26.0635 -2.0275 765807.9725 -0.1951 -0.2087 PRESSURE: 364800 133.135 166.035 56.9834 166.035 338.633 7.49941 56.9827 7.49863 -149.94 GPRESSURE: 364800 131.486 50.7118 10.0456 123.208 348.308 -62.1444 52.6013 -12.455 -68.3766 PRESSAVG: 364800 -78.5141 -48.3366 25.1403 -48.3365 74.7475 -45.8573 25.1404 -45.8573 2.28878 GPRESSAVG: 364800 -78.9747 -47.3738 23.1114 -51.4668 74.5593 -48.0281 27.0298 -45.4341 2.97259 TIMING: 364800 CPU: 1137.26, 0.00311395/step Wall: 1137.26, 0.00311395/step, 4.00938 hours remaining, 234.238281 MB of memory in use. ENERGY: 364800 4078.1286 20628.2167 14523.8888 264.8307 -203055.5525 2896.9100 0.0000 0.0000 52070.4752 -108593.1025 299.2497 -160663.5778 -108232.5510 300.2103 107.2760 137.1393 763576.9341 -0.4926 -0.4809 PRESSURE: 365000 -537.841 -27.4497 171.866 -27.4501 -10.2854 47.7503 171.867 47.7505 98.7992 GPRESSURE: 365000 -500.552 17.674 148.06 13.1069 41.2537 129.809 154.431 -10.5616 102.716 PRESSAVG: 365000 -71.4681 -47.12 29.8676 -47.12 21.4799 -20.014 29.8675 -20.014 18.4625 GPRESSAVG: 365000 -71.9053 -47.753 29.8947 -48.7053 21.3581 -18.4183 28.2585 -19.6904 18.5981 TIMING: 365000 CPU: 1137.88, 0.00309717/step Wall: 1137.88, 0.00309717/step, 3.98761 hours remaining, 234.238281 MB of memory in use. ENERGY: 365000 4050.4805 20710.4501 14457.4422 239.7385 -203196.4788 3046.4535 0.0000 0.0000 51980.7575 -108711.1565 298.7341 -160691.9140 -108345.9514 299.8148 -149.7756 -118.8609 764096.6454 -10.5085 -10.6497 PRESSURE: 365200 -32.9874 170.042 -68.07 170.042 122.365 -154.092 -68.0694 -154.094 -17.1769 GPRESSURE: 365200 9.09176 210.767 0.956734 100.33 201.367 -197.284 -83.4913 -118.483 -45.4191 PRESSAVG: 365200 -41.8925 27.3621 -18.639 27.3621 67.3131 -65.4124 -18.639 -65.4125 -23.7795 GPRESSAVG: 365200 -42.1971 26.6635 -18.4139 27.422 65.8742 -64.4966 -17.6093 -65.4402 -22.8155 TIMING: 365200 CPU: 1138.5, 0.00310018/step Wall: 1138.5, 0.00310018/step, 3.99131 hours remaining, 234.238281 MB of memory in use. ENERGY: 365200 3967.4575 20499.3099 14519.8821 249.0308 -203203.2411 2859.9766 0.0000 0.0000 52350.6491 -108756.9351 300.8599 -161107.5842 -108392.0508 299.9469 24.0671 55.0131 763199.0108 0.5471 0.2872 PRESSURE: 365400 162.969 -42.054 140.964 -42.0539 -270.348 57.5332 140.964 57.533 316.896 GPRESSURE: 365400 272.768 -49.793 93.6103 -257.092 -294.519 16.0742 128.267 229.126 319.623 PRESSAVG: 365400 56.2771 -9.63644 43.6358 -9.63643 -83 -16.1887 43.6357 -16.1887 38.2963 GPRESSAVG: 365400 57.609 -8.57155 42.835 -7.46983 -82.6295 -17.1205 44.547 -17.4382 36.1505 TIMING: 365400 CPU: 1139.12, 0.00309935/step Wall: 1139.12, 0.00309935/step, 3.99007 hours remaining, 234.238281 MB of memory in use. ENERGY: 365400 3979.3586 20750.1054 14463.1208 239.9602 -202908.0672 2776.9143 0.0000 0.0000 52155.9601 -108542.6478 299.7410 -160698.6079 -108189.2258 299.5715 69.8387 99.2907 764613.8289 3.8578 3.7100 PRESSURE: 365600 -158.801 -39.501 -81.4662 -39.5013 129.623 -184.332 -81.4664 -184.332 250.473 GPRESSURE: 365600 -47.7906 59.4988 -80.4817 -133.363 153.263 -180.547 -143.756 -131.131 203.738 PRESSAVG: 365600 -8.18217 -9.92977 2.30733 -9.92977 -17.6017 23.6774 2.3074 23.6773 20.8589 GPRESSAVG: 365600 -8.62975 -12.0242 1.94535 -9.36256 -17.4023 23.1512 1.6105 24.1482 21.1608 TIMING: 365600 CPU: 1139.74, 0.00309073/step Wall: 1139.74, 0.00309073/step, 3.9788 hours remaining, 234.238281 MB of memory in use. ENERGY: 365600 4017.6711 20618.5867 14434.0238 260.4971 -202651.5149 2921.9808 0.0000 0.0000 51970.7022 -108428.0531 298.6763 -160398.7553 -108070.5901 300.1095 73.7649 103.0702 766759.5705 -1.6417 -1.6237 PRESSURE: 365800 -78.9593 164.876 192.526 164.877 316.584 93.508 192.526 93.5072 379.776 GPRESSURE: 365800 -66.7848 171.506 243.367 131.336 311.258 38.7264 131.655 145.824 435.654 PRESSAVG: 365800 -21.1698 13.5098 40.3324 13.5098 29.8857 7.92618 40.3325 7.92624 -6.93559 GPRESSAVG: 365800 -22.6752 14.2741 41.4964 14.3444 30.8635 8.64045 39.2501 8.67176 -6.12306 TIMING: 365800 CPU: 1140.35, 0.00309335/step Wall: 1140.35, 0.00309335/step, 3.982 hours remaining, 234.238281 MB of memory in use. ENERGY: 365800 3951.8399 20484.9006 14510.1723 260.3959 -202759.3653 2740.0207 0.0000 0.0000 52398.5849 -108413.4509 301.1354 -160812.0358 -108038.9094 300.3886 205.8002 226.7091 765541.3387 0.5934 0.6884 PRESSURE: 366000 -145.874 -150.453 -65.309 -150.453 121.514 36.8682 -65.3087 36.8674 109.565 GPRESSURE: 366000 -109.689 -45.675 14.2174 -183.872 180.923 -23.9553 -125.737 -7.02376 116.871 PRESSAVG: 366000 -63.7563 -51.7823 43.4678 -51.7823 84.938 72.3118 43.4678 72.3118 11.0955 GPRESSAVG: 366000 -62.2827 -50.6008 43.2444 -54.5427 82.9412 72.5197 44.5037 69.9271 11.9858 TIMING: 366000 CPU: 1140.97, 0.00310129/step Wall: 1140.97, 0.00310129/step, 3.99205 hours remaining, 234.238281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 366000 4081.6843 20703.5039 14461.1930 270.6232 -203205.4831 2986.7884 0.0000 0.0000 52203.3791 -108498.3112 300.0135 -160701.6903 -108145.1418 299.8269 28.4017 62.7019 766108.6422 10.7591 10.8814 PRESSURE: 366200 -153.849 -48.2491 -304.275 -48.249 -163.769 -148.751 -304.275 -148.75 -131.413 GPRESSURE: 366200 -164.521 -56.2561 -168.26 -23.618 -77.3832 -183.822 -386.963 -210.646 -120.024 PRESSAVG: 366200 -48.3292 -22.0149 -14.4776 -22.015 49.5798 3.06956 -14.4776 3.06965 13.1459 GPRESSAVG: 366200 -49.4186 -22.8303 -13.9966 -19.8987 50.1332 1.95053 -14.2657 4.51067 13.7709 TIMING: 366200 CPU: 1141.59, 0.00309542/step Wall: 1141.59, 0.00309542/step, 3.98432 hours remaining, 234.238281 MB of memory in use. ENERGY: 366200 4031.3199 20557.6380 14513.2615 258.7473 -203198.5038 3073.3048 0.0000 0.0000 52243.2112 -108521.0210 300.2425 -160764.2323 -108172.5574 300.0736 -149.6771 -120.6427 763535.0244 4.7988 4.8285 PRESSURE: 366400 120.054 -257.579 184.349 -257.578 -4.80489 -220.319 184.349 -220.319 -383.248 GPRESSURE: 366400 150.03 -106.258 164.628 -258.99 -1.07818 -217.031 152.017 -64.461 -318.84 PRESSAVG: 366400 -36.9561 -28.6425 -12.7562 -28.6425 27.2004 -2.94688 -12.7562 -2.94692 10.5669 GPRESSAVG: 366400 -36.07 -28.2499 -10.7465 -27.8237 26.9192 -1.57285 -14.1337 -2.05807 9.34648 TIMING: 366400 CPU: 1142.22, 0.00311882/step Wall: 1142.22, 0.00311882/step, 4.01426 hours remaining, 234.238281 MB of memory in use. ENERGY: 366400 4065.3461 20658.6230 14435.0465 251.1369 -203362.1312 2959.5170 0.0000 0.0000 52317.1442 -108675.3176 300.6673 -160992.4618 -108302.8040 299.8036 -89.3332 -56.6293 764584.2959 0.2704 0.0652 PRESSURE: 366600 92.9341 -149.739 -16.0563 -149.739 -24.9213 40.3904 -16.0554 40.3902 -290.043 GPRESSURE: 366600 72.4728 -75.7881 -18.5489 -164.358 -32.335 4.10222 -66.5786 119.955 -203.082 PRESSAVG: 366600 92.8024 -15.9265 5.5993 -15.9265 -53.1624 -23.7115 5.59934 -23.7115 17.7141 GPRESSAVG: 366600 92.5065 -16.59 3.23816 -17.108 -53.0917 -23.9817 5.841 -22.5462 17.5461 TIMING: 366600 CPU: 1142.84, 0.00310251/step Wall: 1142.84, 0.00310251/step, 3.9931 hours remaining, 234.238281 MB of memory in use. ENERGY: 366600 3978.1755 20620.5175 14476.8974 249.2223 -203082.0178 2755.7627 0.0000 0.0000 52188.4863 -108812.9561 299.9279 -161001.4424 -108449.6384 299.3475 -74.0099 -54.3148 764611.5394 19.1180 18.9870 PRESSURE: 366800 -319.987 -192.815 50.2066 -192.815 -332.377 -45.0509 50.2067 -45.0505 242.42 GPRESSURE: 366800 -201.543 -184.726 -116.169 -181.966 -269.044 -23.9437 103.502 -48.7636 142.6 PRESSAVG: 366800 87.8859 -67.657 14.7478 -67.657 -37.6219 -15.2488 14.7479 -15.2488 -4.0566 GPRESSAVG: 366800 86.9737 -68.4905 15.5216 -66.2191 -36.4159 -15.8418 16.1637 -17.003 -4.84008 TIMING: 366800 CPU: 1143.46, 0.00310425/step Wall: 1143.46, 0.00310425/step, 3.99517 hours remaining, 234.238281 MB of memory in use. ENERGY: 366800 4106.6444 20501.8574 14401.8200 256.1311 -202869.9468 2847.6238 0.0000 0.0000 52020.1246 -108735.7455 298.9604 -160755.8701 -108392.5120 299.2271 -136.6481 -109.3291 765326.7990 15.4025 15.2392 PRESSURE: 367000 -65.6891 112.365 67.1017 112.364 -264.225 41.5652 67.1017 41.565 -570.415 GPRESSURE: 367000 -53.0292 168.038 69.0969 105.622 -214.405 -22.8674 94.5584 57.9879 -532.88 PRESSAVG: 367000 29.2337 -35.9574 12.2977 -35.9574 -1.41357 28.2697 12.2977 28.2697 4.44338 GPRESSAVG: 367000 29.8521 -35.6498 14.4057 -37.8827 -2.24755 28.0218 10.2373 28.1775 4.66659 TIMING: 367000 CPU: 1144.08, 0.00310595/step Wall: 1144.08, 0.00310595/step, 3.99719 hours remaining, 234.238281 MB of memory in use. ENERGY: 367000 3961.0497 20439.6797 14422.0346 227.9885 -202847.0507 2712.7489 0.0000 0.0000 52179.3857 -108904.1635 299.8756 -161083.5492 -108537.4678 298.8160 -300.1097 -266.7713 764874.4765 10.7545 10.7571 PRESSURE: 367200 -116.755 -40.9291 -23.7361 -40.9292 -134.164 -9.37264 -23.7359 -9.37262 -175.158 GPRESSURE: 367200 -137.907 23.2976 38.4526 -67.7597 -73.7894 -77.3463 -18.6213 47.6776 -140.243 PRESSAVG: 367200 -4.58545 -2.39461 -24.8705 -2.39466 -27.0671 -12.6477 -24.8704 -12.6477 9.94348 GPRESSAVG: 367200 -3.52731 -0.787482 -26.7661 -1.76727 -26.8011 -12.7382 -24.0931 -12.9038 9.08972 TIMING: 367200 CPU: 1144.7, 0.00311017/step Wall: 1144.7, 0.00311017/step, 4.00244 hours remaining, 234.238281 MB of memory in use. ENERGY: 367200 4109.3388 20361.5256 14440.7046 254.6906 -202784.4230 2974.9957 0.0000 0.0000 51753.2319 -108889.9358 297.4265 -160643.1676 -108537.7591 298.6283 -142.0260 -117.3131 764939.6182 -7.2363 -7.0796 PRESSURE: 367400 203.107 19.4526 18.2318 19.4523 190.668 114.374 18.2315 114.374 165.745 GPRESSURE: 367400 209.491 -14.056 7.08907 -40.1237 234.701 169.017 -107.6 238.382 204.294 PRESSAVG: 367400 -33.3782 39.3958 -47.9758 39.3959 49.7968 -53.0228 -47.9758 -53.0229 46.3418 GPRESSAVG: 367400 -32.6919 37.1173 -46.7936 37.6034 49.8877 -54.6252 -47.3891 -51.4129 46.0474 TIMING: 367400 CPU: 1145.33, 0.003118/step Wall: 1145.33, 0.003118/step, 4.01235 hours remaining, 234.238281 MB of memory in use. ENERGY: 367400 3923.2750 20449.8342 14505.3369 252.2485 -203202.4869 3058.0055 0.0000 0.0000 52178.9336 -108834.8532 299.8730 -161013.7868 -108475.1235 299.0911 186.5067 216.1619 763687.1488 20.9201 21.0811 PRESSURE: 367600 -12.8304 46.0393 -209.166 46.0383 10.9686 129.026 -209.167 129.025 263.463 GPRESSURE: 367600 5.138 67.6548 -254.681 121.009 174.626 97.67 -114.918 33.1654 163.752 PRESSAVG: 367600 -5.79185 2.17703 -97.5225 2.17697 16.964 -16.0877 -97.5225 -16.0878 19.927 GPRESSAVG: 367600 -6.93051 4.72059 -97.929 3.49067 18.1832 -14.6963 -94.4182 -16.89 20.1711 TIMING: 367600 CPU: 1145.95, 0.00313573/step Wall: 1145.95, 0.00313573/step, 4.03499 hours remaining, 234.238281 MB of memory in use. ENERGY: 367600 3978.1509 20668.9922 14428.8562 253.0876 -202883.0130 2734.8531 0.0000 0.0000 52014.8543 -108804.2187 298.9301 -160819.0730 -108447.2437 299.2090 87.2003 114.5055 764300.8090 10.3664 10.4746 PRESSURE: 367800 510.588 -69.4367 208.077 -69.4376 214.995 -2.09314 208.078 -2.09298 -82.622 GPRESSURE: 367800 516.693 18.0335 263.11 -91.7666 223.596 88.3213 159.992 -124.646 -24.0357 PRESSAVG: 367800 17.3278 -19.94 -20.336 -19.9401 18.8839 -4.78218 -20.336 -4.78212 -3.04011 GPRESSAVG: 367800 16.1502 -21.9951 -19.7732 -17.9803 18.0216 -4.11948 -22.8913 -5.61652 -1.88869 TIMING: 367800 CPU: 1146.58, 0.00311339/step Wall: 1146.58, 0.00311339/step, 4.00607 hours remaining, 234.238281 MB of memory in use. ENERGY: 367800 4107.3135 20449.5710 14444.0671 251.8267 -203505.6450 3412.7175 0.0000 0.0000 52071.9364 -108768.2128 299.2581 -160840.1491 -108408.8735 299.2189 214.3203 238.7511 763531.9701 11.0572 10.7610 PRESSURE: 368000 -15.6256 -77.6304 -22.1774 -77.6302 86.4564 3.53376 -22.178 3.53363 232.926 GPRESSURE: 368000 33.4999 -38.8245 -93.3145 -132.419 135.786 -21.2787 49.5363 -49.1727 209.379 PRESSAVG: 368000 -15.1407 -3.03128 -29.7957 -3.03124 10.0434 -2.29398 -29.7957 -2.29405 -13.4518 GPRESSAVG: 368000 -13.0878 -2.34799 -29.7077 -5.08545 8.79975 -2.65198 -28.8608 -1.87131 -14.0488 TIMING: 368000 CPU: 1147.2, 0.00311319/step Wall: 1147.2, 0.00311319/step, 4.00564 hours remaining, 234.238281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 368000 3944.0006 20609.0954 14444.1994 256.3818 -203283.3025 2790.6226 0.0000 0.0000 52437.2345 -108801.7681 301.3575 -161239.0027 -108432.3422 299.4317 101.2524 126.2216 765241.5879 -6.1830 -6.1123 PRESSURE: 368200 50.2797 -18.9498 -199.974 -18.9491 139.918 -163.907 -199.974 -163.908 301.135 GPRESSURE: 368200 37.5131 23.6814 -107.356 122.966 218.153 -219.028 -314.289 -297.866 342.987 PRESSAVG: 368200 -28.2167 42.1058 22.6954 42.1058 16.4464 -15.6239 22.6954 -15.6239 -20.0007 GPRESSAVG: 368200 -28.9487 43.1289 22.6752 40.5856 16.8072 -15.5696 22.7098 -14.8622 -19.3062 TIMING: 368200 CPU: 1147.82, 0.00312579/step Wall: 1147.82, 0.00312579/step, 4.02168 hours remaining, 234.238281 MB of memory in use. ENERGY: 368200 4076.6268 20456.3525 14501.5596 249.4949 -203100.0494 2866.9593 0.0000 0.0000 52409.2971 -108539.7594 301.1970 -160949.0565 -108181.7161 299.6838 163.7775 199.5509 765252.7736 -10.5903 -10.4826 LDB: ============= START OF LOAD BALANCING ============== 1160.3 LDB: ============== END OF LOAD BALANCING =============== 1160.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1160.3 LDB: ============= START OF LOAD BALANCING ============== 1160.61 LDB: Largest compute 7052 load 0.030503 is 15.7% of average load 0.194783 LDB: Average compute 0.004364 is 2.2% of average load 0.194783 LDB: TIME 1160.62 LOAD: AVG 0.194783 MAX 0.216426 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.789 MB LDB: TIME 1160.62 LOAD: AVG 0.194783 MAX 0.216426 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.789 MB LDB: TIME 1160.62 LOAD: AVG 0.194783 MAX 0.216426 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.789 MB LDB: ============== END OF LOAD BALANCING =============== 1160.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1160.63 PRESSURE: 368400 -91.6096 -129.011 71.9458 -129.012 54.3798 -192.529 71.946 -192.528 11.4369 GPRESSURE: 368400 -53.1376 -209.943 -33.7887 -77.807 62.2369 -89.5143 150.289 -164.326 68.5149 PRESSAVG: 368400 -9.09014 0.374332 -29.3379 0.3744 10.6967 -4.89451 -29.3378 -4.89453 -7.79669 GPRESSAVG: 368400 -9.67589 0.437454 -30.5595 2.28837 11.841 -4.28312 -28.1614 -3.17418 -8.41774 TIMING: 368400 CPU: 1148.46, 0.0031778/step Wall: 1148.46, 0.0031778/step, 4.08841 hours remaining, 235.839844 MB of memory in use. ENERGY: 368400 4037.6956 20638.5054 14469.5180 264.4050 -203132.4534 2845.7024 0.0000 0.0000 52320.6236 -108556.0034 300.6873 -160876.6270 -108197.7856 300.2027 -8.5976 25.8714 764961.5017 -2.0634 -2.0842 PRESSURE: 368600 -173.986 -130.844 270.34 -130.843 -121.112 -120.529 270.34 -120.529 153.88 GPRESSURE: 368600 -140.133 -60.9615 295.694 -142.417 -98.6419 -108.929 -40.8831 -168.68 172.646 PRESSAVG: 368600 -4.8686 -15.9566 -30.8966 -15.9566 -2.48964 25.3716 -30.8966 25.3716 3.28831 GPRESSAVG: 368600 -2.84768 -16.7787 -31.0112 -17.1418 -3.97807 24.8818 -34.507 24.153 2.66679 TIMING: 368600 CPU: 1149.08, 0.00311364/step Wall: 1149.08, 0.00311364/step, 4.0057 hours remaining, 235.839844 MB of memory in use. ENERGY: 368600 4074.2691 20632.3973 14490.4541 243.6519 -203285.1108 3107.7325 0.0000 0.0000 52138.3515 -108598.2543 299.6398 -160736.6059 -108243.3775 299.7267 -47.0728 -22.0432 766127.7715 -1.3566 -1.3863 PRESSURE: 368800 -240.341 182.011 -85.9238 182.012 4.32249 38.4081 -85.9231 38.4096 -155.65 GPRESSURE: 368800 -136.026 206.698 -100.671 124.675 -8.11509 -43.6501 -58.2044 120.81 -176.454 PRESSAVG: 368800 12.1873 -2.03208 1.13582 -2.03206 -42.0382 16.9628 1.13581 16.9628 -7.75233 GPRESSAVG: 368800 10.1969 -3.0791 1.25526 -0.210865 -41.3338 16.9706 1.93911 15.2654 -6.6717 TIMING: 368800 CPU: 1149.7, 0.00310914/step Wall: 1149.7, 0.00310914/step, 3.99973 hours remaining, 235.839844 MB of memory in use. ENERGY: 368800 4046.7121 20646.6655 14572.3591 267.9768 -203518.2661 3080.5865 0.0000 0.0000 52186.4707 -108717.4955 299.9164 -160903.9662 -108357.9403 299.8946 -130.5561 -106.8650 764726.5189 -12.5344 -12.6029 PRESSURE: 369000 72.5576 -15.2146 -341.664 -15.2157 -109.875 181.553 -341.665 181.553 -167.769 GPRESSURE: 369000 169.524 107.16 -310.794 38.0426 -99.1176 186.551 -370.462 303.765 -197.315 PRESSAVG: 369000 31.1801 -13.5577 3.03553 -13.5577 -47.5799 -30.3655 3.0355 -30.3655 -30.1003 GPRESSAVG: 369000 31.3987 -12.3048 4.47034 -14.3763 -47.0628 -28.8156 2.83369 -29.7955 -30.2548 TIMING: 369000 CPU: 1150.33, 0.00311912/step Wall: 1150.33, 0.00311912/step, 4.0124 hours remaining, 235.839844 MB of memory in use. ENERGY: 369000 4019.1789 20345.2122 14442.4812 267.3305 -203017.6210 2995.5923 0.0000 0.0000 52092.2174 -108855.6084 299.3747 -160947.8259 -108493.6697 299.5915 -68.3623 -42.3029 766042.0437 -15.5001 -15.3063 PRESSURE: 369200 -104.691 -74.6427 106.946 -74.6413 -163.954 186.89 106.946 186.89 -164.068 GPRESSURE: 369200 -104.878 -91.1883 215.046 -160.197 -65.869 235.698 -4.74457 165.669 -186.208 PRESSAVG: 369200 78.1679 -29.0009 -9.65373 -29.001 -86.5934 6.83151 -9.65378 6.83157 15.8816 GPRESSAVG: 369200 79.3125 -30.3423 -8.50477 -28.7001 -87.2406 6.9698 -9.26867 5.51185 14.9912 TIMING: 369200 CPU: 1150.96, 0.00314446/step Wall: 1150.96, 0.00314446/step, 4.04483 hours remaining, 235.839844 MB of memory in use. ENERGY: 369200 4006.2782 20558.8277 14458.0318 258.1289 -202862.7727 2774.2075 0.0000 0.0000 51956.6846 -108850.6140 298.5958 -160807.2986 -108496.1194 298.8636 -144.2376 -118.9852 766349.2363 2.4854 2.3543 PRESSURE: 369400 -50.8973 140.645 -161.394 140.645 -117.568 -107.159 -161.394 -107.159 106.019 GPRESSURE: 369400 -56.564 75.5334 -102.885 220.683 -63.6005 -3.87748 -146.878 -74.5498 120.696 PRESSAVG: 369400 36.7335 -31.3847 8.48772 -31.3846 -17.0946 0.751811 8.4877 0.751748 16.9358 GPRESSAVG: 369400 37.0748 -31.7658 7.29357 -30.3341 -17.0179 0.58796 9.12005 2.85453 17.5047 TIMING: 369400 CPU: 1151.58, 0.00313483/step Wall: 1151.58, 0.00313483/step, 4.03226 hours remaining, 235.839844 MB of memory in use. ENERGY: 369400 4025.7122 20641.9663 14522.1242 241.5059 -202998.0802 2833.8315 0.0000 0.0000 51961.6328 -108771.3073 298.6242 -160732.9401 -108408.5505 299.4967 -20.8153 0.1771 766034.5160 12.1916 12.5205 PRESSURE: 369600 78.9963 57.776 83.778 57.7755 -37.6604 -15.762 83.7788 -15.7609 253.15 GPRESSURE: 369600 113.04 150.779 140.436 49.3681 -3.71162 135.918 7.88833 -38.2574 264.239 PRESSAVG: 369600 -5.27647 49.9498 22.1031 49.9498 -2.88645 -26.0686 22.1031 -26.0686 -4.59217 GPRESSAVG: 369600 -4.28691 51.7578 20.294 49.6429 -3.02146 -26.9131 21.9431 -25.3999 -4.6616 TIMING: 369600 CPU: 1152.21, 0.0031221/step Wall: 1152.21, 0.00312211/step, 4.01572 hours remaining, 235.839844 MB of memory in use. ENERGY: 369600 3959.4582 20369.0970 14508.1162 242.8155 -203192.8064 2937.2861 0.0000 0.0000 52326.2962 -108849.7372 300.7199 -161176.0334 -108485.0063 299.1573 98.1619 124.5225 764572.3472 -4.2517 -3.9900 PRESSURE: 369800 90.5607 147.418 -62.6242 147.418 -117.996 54.9758 -62.6242 54.9757 -160.915 GPRESSURE: 369800 102.281 -16.5286 15.2511 133.006 -86.4089 91.1772 -23.5941 -94.6183 -127.01 PRESSAVG: 369800 46.4228 -22.5808 15.6718 -22.5809 -33.9301 -31.0888 15.6718 -31.0888 -2.67716 GPRESSAVG: 369800 45.4982 -23.9443 18.5131 -22.1322 -34.1326 -31.2499 15.976 -32.7205 -1.91178 TIMING: 369800 CPU: 1152.83, 0.0031155/step Wall: 1152.83, 0.0031155/step, 4.00705 hours remaining, 235.839844 MB of memory in use. ENERGY: 369800 3992.1876 20402.2511 14528.6525 224.9882 -202722.1029 2648.0859 0.0000 0.0000 52248.0095 -108677.9282 300.2700 -160925.9377 -108311.0189 299.3203 -62.7835 -37.0461 764389.1322 3.2718 3.1513 PRESSURE: 370000 -206.339 36.0775 -153.264 36.0783 74.2924 -404.415 -153.264 -404.414 351.135 GPRESSURE: 370000 -171.923 -37.4454 -187.006 -25.9015 133.668 -327.442 -120.104 -278.671 325.08 PRESSAVG: 370000 51.3061 -22.4973 23.154 -22.4974 -24.6815 -24.3251 23.154 -24.3251 -6.65894 GPRESSAVG: 370000 51.51 -20.6309 22.3804 -24.3325 -24.3268 -23.9872 22.1877 -24.1246 -7.22101 TIMING: 370000 CPU: 1153.46, 0.00313444/step Wall: 1153.46, 0.00313444/step, 4.03123 hours remaining, 235.839844 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: 370000 3897.7978 20595.1439 14531.1837 255.4439 -202683.4422 2621.3397 0.0000 0.0000 52265.8653 -108516.6678 300.3726 -160782.5331 -108153.1992 299.4640 73.0297 95.6083 763984.7653 6.6552 6.6541 PRESSURE: 370200 4.26287 -308.017 106.461 -308.017 177.226 -15.3798 106.461 -15.3782 67.0996 GPRESSURE: 370200 55.5436 -287.339 50.0155 -256.691 237.394 -69.6346 -42.0945 -5.54914 28.019 PRESSAVG: 370200 -9.87322 -31.2559 20.5005 -31.2559 20.0891 -14.1447 20.5005 -14.1447 13.8399 GPRESSAVG: 370200 -10.5425 -33.3571 18.8831 -28.2414 21.3714 -14.9188 21.1745 -12.3317 13.3612 TIMING: 370200 CPU: 1154.08, 0.00311088/step Wall: 1154.08, 0.00311088/step, 4.00076 hours remaining, 235.839844 MB of memory in use. ENERGY: 370200 4045.6309 20607.4581 14515.6978 230.2457 -203085.5051 2991.1925 0.0000 0.0000 52217.1665 -108478.1135 300.0928 -160695.2801 -108119.9605 299.8567 82.8628 106.9854 765553.6933 8.0186 8.0634 PRESSURE: 370400 224.193 -66.277 149.731 -66.2772 219.713 -131.519 149.73 -131.519 399.951 GPRESSURE: 370400 277.29 -63.2381 181.65 -77.4719 266.521 -46.6744 115.908 -181.416 363.76 PRESSAVG: 370400 38.6687 -15.6716 -24.0832 -15.6716 -37.8542 -17.8272 -24.0832 -17.8272 -10.1613 GPRESSAVG: 370400 38.5961 -14.5282 -22.3355 -16.3265 -38.3872 -16.4688 -23.6113 -17.5247 -9.92978 TIMING: 370400 CPU: 1154.7, 0.00311894/step Wall: 1154.7, 0.00311894/step, 4.01095 hours remaining, 235.839844 MB of memory in use. ENERGY: 370400 3963.9001 20608.9434 14492.3746 244.5673 -203075.5136 3104.7481 0.0000 0.0000 52063.1022 -108597.8780 299.2074 -160660.9801 -108236.7069 299.9998 281.2856 302.5236 765440.0848 -3.1156 -3.2403 PRESSURE: 370600 -77.9634 96.9504 -10.19 96.9506 -162.926 -324.776 -10.1902 -324.775 -287.303 GPRESSURE: 370600 -76.4995 64.113 61.1812 93.3004 -94.1919 -205.539 -77.3352 -357.554 -275.448 PRESSAVG: 370600 -8.60967 -8.23961 42.2504 -8.23958 -31.0394 -38.8306 42.2504 -38.8305 -23.0613 GPRESSAVG: 370600 -7.33362 -8.79199 42.5127 -9.31999 -32.2158 -39.2228 39.95 -40.0519 -23.0117 TIMING: 370600 CPU: 1155.33, 0.00311023/step Wall: 1155.33, 0.00311023/step, 3.99958 hours remaining, 235.839844 MB of memory in use. ENERGY: 370600 3962.8277 20616.8937 14459.8202 261.2535 -203137.5659 2882.8168 0.0000 0.0000 52237.8254 -108716.1287 300.2115 -160953.9541 -108348.0456 299.6310 -176.0641 -148.7132 764585.9152 -20.9034 -20.8537 PRESSURE: 370800 18.935 80.8414 -109.612 80.842 421.444 8.94264 -109.61 8.94454 289.821 GPRESSURE: 370800 63.7906 50.8594 -92.7279 79.9449 390.73 2.13434 -139.97 -142.273 358.179 PRESSAVG: 370800 -52.56 -56.0371 -32.177 -56.0371 47.0816 -47.7135 -32.177 -47.7135 17.721 GPRESSAVG: 370800 -52.7411 -57.1667 -31.7652 -55.3041 48.3918 -48.57 -30.9358 -47.7437 17.0821 TIMING: 370800 CPU: 1155.95, 0.00311919/step Wall: 1155.95, 0.00311919/step, 4.01093 hours remaining, 235.839844 MB of memory in use. ENERGY: 370800 3963.2657 20470.5670 14468.0946 254.5625 -202998.2622 3152.9819 0.0000 0.0000 51832.6503 -108856.1401 297.8830 -160688.7904 -108502.0453 299.3296 243.4002 270.8997 764509.5727 4.0809 4.2443 PRESSURE: 371000 -63.2048 271.98 -168.106 271.98 78.2019 90.7073 -168.107 90.7067 -132.493 GPRESSURE: 371000 68.2062 100.98 -207.264 259.203 76.206 143.789 -113.136 27.2667 -179.843 PRESSAVG: 371000 -35.7529 8.11862 -0.641013 8.11853 25.3741 -1.15077 -0.641017 -1.15086 -7.4152 GPRESSAVG: 371000 -36.9676 9.09883 -0.419611 9.81357 25.2787 -1.09409 -0.188063 -1.16313 -6.18524 TIMING: 371000 CPU: 1156.58, 0.00313002/step Wall: 1156.58, 0.00313002/step, 4.02468 hours remaining, 235.839844 MB of memory in use. ENERGY: 371000 3942.5997 20702.8047 14461.8865 254.2106 -202868.2165 2601.3850 0.0000 0.0000 52142.9114 -108762.4186 299.6660 -160905.3300 -108399.6443 299.5199 -39.1652 -11.8102 763722.3257 -5.9313 -5.9580 PRESSURE: 371200 207.529 -34.1518 -49.3713 -34.1523 -39.9546 -112.506 -49.3708 -112.507 13.7331 GPRESSURE: 371200 230.179 35.0842 -68.0746 -133.56 -7.75919 -36.4021 -120.526 -136.347 31.3044 PRESSAVG: 371200 42.6532 12.7178 -15.1918 12.7177 -18.9868 -38.9434 -15.1918 -38.9433 8.73557 GPRESSAVG: 371200 42.8743 13.187 -17.2078 10.4017 -19.6759 -38.5473 -16.5683 -40.0419 8.86688 TIMING: 371200 CPU: 1157.2, 0.00314138/step Wall: 1157.2, 0.00314138/step, 4.03912 hours remaining, 235.839844 MB of memory in use. ENERGY: 371200 4074.5593 20629.6503 14405.0222 246.6606 -202883.1591 2861.5683 0.0000 0.0000 52107.2783 -108558.4201 299.4612 -160665.6984 -108203.0840 300.1410 60.4357 84.5747 764496.5758 10.8007 10.6884 PRESSURE: 371400 -66.3165 256.789 -220.694 256.79 -601.775 -21.3117 -220.694 -21.3124 -491.872 GPRESSURE: 371400 -152.179 240.113 -192.303 323.168 -493.997 -24.0375 -211.674 -43.574 -434.485 PRESSAVG: 371400 22.1 2.66259 -16.4209 2.66255 33.1095 -34.4091 -16.4209 -34.4091 -12.535 GPRESSAVG: 371400 22.3298 2.37929 -14.2559 5.09712 33.077 -34.9386 -15.9675 -32.5163 -12.7546 TIMING: 371400 CPU: 1157.83, 0.00311674/step Wall: 1157.83, 0.00311674/step, 4.00726 hours remaining, 235.839844 MB of memory in use. ENERGY: 371400 4085.3472 20736.3917 14447.3498 233.2066 -202842.7543 2691.9816 0.0000 0.0000 52009.5661 -108638.9114 298.8997 -160648.4774 -108283.4619 300.0487 -386.6546 -360.2204 763785.0658 14.2248 14.2174 PRESSURE: 371600 -443.915 29.9222 48.2552 29.9225 -100.277 -128.446 48.2549 -128.446 83.9566 GPRESSURE: 371600 -345.904 27.5713 57.4528 74.6478 -29.1866 -105.728 -3.41577 -115.836 -11.3632 PRESSAVG: 371600 1.74708 44.9336 -39.6605 44.9337 -12.8451 7.38791 -39.6605 7.3879 2.82125 GPRESSAVG: 371600 0.934385 45.5221 -39.9216 42.7591 -11.6749 9.02425 -39.719 5.92383 2.34223 TIMING: 371600 CPU: 1158.45, 0.00312013/step Wall: 1158.45, 0.00312013/step, 4.01144 hours remaining, 235.839844 MB of memory in use. ENERGY: 371600 4034.5173 20814.8334 14354.7472 266.1010 -203203.6596 2923.0938 0.0000 0.0000 52175.6934 -108634.6736 299.8544 -160810.3669 -108272.9236 300.0157 -153.4119 -128.8179 763323.4577 -2.7589 -2.7994 PRESSURE: 371800 63.7783 208.557 -40.5194 208.556 -88.5461 -21.2817 -40.5205 -21.2814 251.047 GPRESSURE: 371800 98.4676 197.202 -29.1229 108.293 -0.0768989 3.61453 -125.781 -91.9086 201.213 PRESSAVG: 371800 -26.263 -8.26935 -10.4711 -8.26936 9.34334 -46.5736 -10.4711 -46.5735 -13.4024 GPRESSAVG: 371800 -25.4198 -8.51248 -11.0862 -9.15556 9.56117 -47.4844 -9.84149 -46.847 -13.9401 TIMING: 371800 CPU: 1159.08, 0.00312819/step Wall: 1159.08, 0.00312819/step, 4.02163 hours remaining, 235.839844 MB of memory in use. ENERGY: 371800 3949.4059 20608.3930 14418.3222 240.7286 -203577.3832 3327.6545 0.0000 0.0000 52276.0774 -108756.8016 300.4313 -161032.8790 -108382.1279 299.7446 75.4263 99.8680 764373.2114 -10.1074 -9.9329 PRESSURE: 372000 -364.501 -78.4916 80.2454 -78.4915 -8.64023 -144.87 80.2445 -144.871 -250.325 GPRESSURE: 372000 -331.594 -84.9382 56.9025 -83.887 -38.5031 -102.748 91.2707 -127.978 -183.26 PRESSAVG: 372000 -10.4334 15.0141 -33.4529 15.0141 38.7774 -44.6106 -33.4529 -44.6106 -16.5668 GPRESSAVG: 372000 -10.7488 15.7661 -32.4346 15.3443 38.3391 -44.6076 -34.901 -42.603 -15.8618 TIMING: 372000 CPU: 1159.7, 0.00311601/step Wall: 1159.7, 0.00311601/step, 4.0058 hours remaining, 235.839844 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: 372000 3915.1816 20574.1346 14439.2999 235.9961 -202705.5643 2593.5226 0.0000 0.0000 51859.0067 -109088.4227 298.0344 -160947.4294 -108729.9845 299.1624 -207.8223 -184.4523 766550.5499 3.9257 3.9095 PRESSURE: 372200 -267.387 21.2208 92.0893 21.2209 -287.957 -8.35973 92.0885 -8.36026 254.551 GPRESSURE: 372200 -235.111 17.0693 112.286 100.564 -276.351 29.6728 141.696 -45.6504 292.312 PRESSAVG: 372200 4.31496 3.91259 -15.3271 3.91261 -19.5398 -0.207628 -15.327 -0.207587 14.1588 GPRESSAVG: 372200 3.74691 3.36266 -14.0966 2.84591 -18.3457 -1.05821 -15.6 0.533164 13.811 TIMING: 372200 CPU: 1160.33, 0.00312802/step Wall: 1160.33, 0.00312802/step, 4.02108 hours remaining, 235.839844 MB of memory in use. ENERGY: 372200 3972.8423 20681.5830 14415.8295 256.8099 -203233.2451 2966.8664 0.0000 0.0000 51864.5470 -109074.7670 298.0663 -160939.3140 -108725.6234 298.5980 -100.2642 -73.0503 765929.5967 -0.3554 -0.2626 LDB: ============= START OF LOAD BALANCING ============== 1172.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1172.8 LDB: =============== DONE WITH MIGRATION ================ 1172.8 LDB: ============= START OF LOAD BALANCING ============== 1173.12 LDB: Largest compute 7052 load 0.030198 is 15.5% of average load 0.194827 LDB: Average compute 0.004392 is 2.3% of average load 0.194827 LDB: TIME 1173.12 LOAD: AVG 0.194827 MAX 0.215769 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.836 MB LDB: TIME 1173.12 LOAD: AVG 0.194827 MAX 0.215769 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.84 MB LDB: TIME 1173.12 LOAD: AVG 0.194827 MAX 0.215769 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.84 MB LDB: ============== END OF LOAD BALANCING =============== 1173.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1173.13 PRESSURE: 372400 86.1366 -5.10593 -53.8049 -5.10625 -3.89911 162.182 -53.8057 162.183 644.293 GPRESSURE: 372400 63.0151 12.7826 40.7619 -46.5567 40.6377 60.3289 -190.067 104.527 699.938 PRESSAVG: 372400 -12.5112 -12.2776 -23.2997 -12.2774 2.41029 -3.35428 -23.2997 -3.35426 -1.08969 GPRESSAVG: 372400 -11.9866 -12.9125 -24.9129 -9.81464 1.81083 -2.82268 -22.1201 -3.32355 -1.68923 TIMING: 372400 CPU: 1160.96, 0.00318246/step Wall: 1160.96, 0.00318245/step, 4.09087 hours remaining, 233.324219 MB of memory in use. ENERGY: 372400 3967.6684 20618.9151 14424.8525 236.9988 -203250.9403 2885.7775 0.0000 0.0000 52015.7659 -109100.9620 298.9353 -161116.7280 -108739.5914 298.6202 242.1770 267.8636 764256.2734 -3.7302 -3.9550 PRESSURE: 372600 -124.964 -136.027 105.815 -136.026 290.433 166.537 105.816 166.537 -106.214 GPRESSURE: 372600 -46.9918 -132.697 201.261 -75.9884 275.398 170.101 62.6944 181.021 -88.1168 PRESSAVG: 372600 -12.621 22.8916 -50.4681 22.8915 14.6557 -15.5519 -50.4681 -15.5519 -6.47462 GPRESSAVG: 372600 -12.6277 21.6042 -51.3348 22.6326 14.1368 -14.203 -50.2224 -19.2191 -6.32726 TIMING: 372600 CPU: 1161.59, 0.00313479/step Wall: 1161.59, 0.00313479/step, 4.02942 hours remaining, 233.324219 MB of memory in use. ENERGY: 372600 4070.5048 20721.2300 14420.3704 241.3940 -203036.7496 2799.6786 0.0000 0.0000 52011.2654 -108772.3063 298.9095 -160783.5717 -108406.2166 299.3617 19.7516 46.7630 765403.5162 -1.4800 -1.6061 PRESSURE: 372800 397.258 124.325 118.506 124.324 251.413 -120.681 118.506 -120.681 421.887 GPRESSURE: 372800 437.284 214.116 130.681 100.011 227.923 -171.47 -44.341 -42.7181 472.705 PRESSAVG: 372800 -39.604 12.4619 -6.7548 12.4619 30.5237 -10.3458 -6.75478 -10.3457 7.74684 GPRESSAVG: 372800 -39.8531 14.6582 -6.18655 10.9523 30.1346 -11.6185 -6.86158 -8.30551 8.34536 TIMING: 372800 CPU: 1162.21, 0.00311502/step Wall: 1162.21, 0.00311502/step, 4.00384 hours remaining, 233.324219 MB of memory in use. ENERGY: 372800 3976.0169 20525.5879 14463.3304 243.4819 -203518.2741 3177.2686 0.0000 0.0000 52294.2090 -108838.3795 300.5355 -161132.5885 -108465.7194 299.8201 356.8526 379.3041 764256.4670 -0.4445 -0.4577 PRESSURE: 373000 -87.6814 93.7169 76.8867 93.7176 -21.5306 -155.711 76.8854 -155.711 -123.4 GPRESSURE: 373000 -19.2338 90.9508 169.918 125.517 -36.9044 -108.252 8.16728 -159.124 -88.1096 PRESSAVG: 373000 20.4109 33.4837 -17.2935 33.4837 -11.5451 -9.04404 -17.2935 -9.04405 3.86496 GPRESSAVG: 373000 21.2931 31.8922 -18.2497 35.445 -11.9963 -7.97991 -18.6956 -8.28007 3.99574 TIMING: 373000 CPU: 1162.83, 0.00311154/step Wall: 1162.83, 0.00311154/step, 3.99919 hours remaining, 233.324219 MB of memory in use. ENERGY: 373000 3964.6943 20638.0255 14491.7996 258.2400 -203051.0623 2712.9622 0.0000 0.0000 52080.4793 -108904.8614 299.3072 -160985.3407 -108529.8276 299.4330 -77.5372 -48.0826 765804.6091 4.2436 4.4308 PRESSURE: 373200 -52.9065 -105.147 -161.411 -105.147 146.487 -20.8103 -161.411 -20.811 118.575 GPRESSURE: 373200 -70.673 -11.1743 -171.64 -72.3391 207.485 -59.4628 -187.415 38.1903 167.079 PRESSAVG: 373200 18.4146 -14.7139 -1.36044 -14.7139 30.7344 -84.2385 -1.3604 -84.2385 -10.2055 GPRESSAVG: 373200 17.2359 -11.8839 -0.288066 -15.448 31.159 -84.8932 -1.35916 -85.4229 -10.1701 TIMING: 373200 CPU: 1163.46, 0.00312667/step Wall: 1163.46, 0.00312667/step, 4.01846 hours remaining, 233.324219 MB of memory in use. ENERGY: 373200 4012.3315 20511.3991 14428.0480 255.3146 -203198.3483 3014.7544 0.0000 0.0000 52047.9432 -108928.5575 299.1202 -160976.5007 -108558.8358 299.2611 70.7185 101.2970 766234.0628 12.9812 12.7416 PRESSURE: 373400 328.179 41.887 158.627 41.8859 324.488 69.54 158.627 69.5407 275.429 GPRESSURE: 373400 317.32 -38.6127 215.343 19.6198 386.218 -50.4797 112.453 54.5749 305.21 PRESSAVG: 373400 -10.5801 -30.0872 5.2241 -30.0873 10.358 -19.5571 5.22413 -19.5571 -10.0619 GPRESSAVG: 373400 -10.207 -32.3384 5.5348 -29.627 10.3401 -22.2865 5.33949 -18.2293 -10.4167 TIMING: 373400 CPU: 1164.08, 0.0031192/step Wall: 1164.08, 0.0031192/step, 4.00869 hours remaining, 233.324219 MB of memory in use. ENERGY: 373400 3983.3043 20735.7997 14463.5020 241.3445 -202977.6112 2896.7697 0.0000 0.0000 51939.6290 -108717.2619 298.4978 -160656.8910 -108357.4814 299.1441 309.3654 336.2492 767226.8698 -3.4280 -3.4278 PRESSURE: 373600 -29.6754 23.9173 7.80266 23.9171 -92.8524 -89.844 7.80232 -89.8445 103.91 GPRESSURE: 373600 82.9885 19.1372 -36.7431 5.19646 -115.499 -69.2096 3.26554 -140.622 78.7023 PRESSAVG: 373600 -6.67041 9.73832 9.52192 9.73827 26.3341 -40.6094 9.5219 -40.6094 13.7621 GPRESSAVG: 373600 -5.35799 7.38081 8.17217 10.0178 25.5396 -38.1782 10.7478 -44.457 13.4434 TIMING: 373600 CPU: 1164.71, 0.00311073/step Wall: 1164.71, 0.00311073/step, 3.99764 hours remaining, 233.324219 MB of memory in use. ENERGY: 373600 4014.2748 20557.5676 14366.8423 261.9176 -203551.8541 3273.2875 0.0000 0.0000 52219.7390 -108858.2252 300.1076 -161077.9643 -108493.4332 299.5918 -6.2060 15.3972 765208.2141 11.1419 11.2083 PRESSURE: 373800 455.318 -49.7683 51.4591 -49.7687 658.191 -11.8072 51.4596 -11.8078 532.672 GPRESSURE: 373800 592.233 -108.526 54.8247 -28.7952 622.798 -45.2566 -4.18392 -46.6761 513.147 PRESSAVG: 373800 25.2937 -29.9582 -8.34701 -29.9583 -8.95156 -63.2947 -8.34703 -63.2948 14.5507 GPRESSAVG: 373800 23.9692 -28.5045 -7.77251 -28.6388 -7.99487 -64.1156 -7.28293 -60.6731 14.6581 TIMING: 373800 CPU: 1165.33, 0.00310993/step Wall: 1165.33, 0.00310993/step, 3.99643 hours remaining, 233.324219 MB of memory in use. ENERGY: 373800 3956.2027 20612.1226 14460.8051 241.5226 -203722.9121 3279.0705 0.0000 0.0000 52259.0784 -108914.1102 300.3336 -161173.1886 -108550.0452 299.4330 548.7269 576.0594 763010.1701 10.2976 10.2108 PRESSURE: 374000 457.094 -143.905 -105.447 -143.904 107.498 91.3308 -105.447 91.3303 284.553 GPRESSURE: 374000 424.834 -29.8447 -184.614 -67.3653 195.565 110.141 -25.6647 182.782 310.632 PRESSAVG: 374000 -2.70477 37.3795 -9.24836 37.3795 -9.59933 -37.7546 -9.24836 -37.7545 8.99643 GPRESSAVG: 374000 -0.910315 38.459 -10.8997 35.0635 -10.9298 -36.955 -9.70656 -38.6787 9.52064 TIMING: 374000 CPU: 1165.95, 0.00311892/step Wall: 1165.95, 0.00311892/step, 4.00781 hours remaining, 233.324219 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: 374000 4031.1909 20557.2558 14435.2882 240.0140 -203756.9541 3424.0308 0.0000 0.0000 51841.9102 -109227.2643 297.9362 -161069.1745 -108867.0105 298.9776 283.0481 310.3439 764968.0456 -1.1026 -0.7732 PRESSURE: 374200 -187.889 -155.35 233.064 -155.35 -365.87 -36.1152 233.064 -36.1155 299.093 GPRESSURE: 374200 -162.669 -81.2197 115.746 -72.3383 -283.338 -148.695 175.519 -76.3068 271.307 PRESSAVG: 374200 0.545293 18.7094 -0.397372 18.7093 -19.163 -5.14506 -0.3974 -5.14508 -30.9229 GPRESSAVG: 374200 -0.527338 20.3411 1.07595 20.1179 -18.0036 -5.07512 -1.06409 -6.69534 -31.3712 TIMING: 374200 CPU: 1166.58, 0.00313086/step Wall: 1166.58, 0.00313086/step, 4.02298 hours remaining, 233.324219 MB of memory in use. ENERGY: 374200 4005.4438 20332.3684 14557.2496 260.4220 -203123.1061 2857.3583 0.0000 0.0000 51968.1711 -109142.0930 298.6618 -161110.2640 -108780.2247 298.1778 -84.8889 -58.2333 765602.1465 -16.5135 -16.6341 PRESSURE: 374400 -163.315 48.4274 -140.381 48.4277 -297.577 -12.8122 -140.38 -12.8126 -77.368 GPRESSURE: 374400 -141.466 -43.9355 -161.567 92.5228 -268.05 40.0874 -140.174 -26.671 -40.838 PRESSAVG: 374400 20.992 17.01 13.0119 17.0101 3.69099 -11.4812 13.0118 -11.4812 24.6983 GPRESSAVG: 374400 20.4749 13.6072 12.0604 16.7695 3.97654 -10.7953 16.6574 -8.01735 24.549 TIMING: 374400 CPU: 1167.2, 0.0031305/step Wall: 1167.2, 0.0031305/step, 4.02234 hours remaining, 233.324219 MB of memory in use. ENERGY: 374400 3991.1220 20527.2216 14485.4452 246.9286 -203076.5044 2808.2563 0.0000 0.0000 51918.3835 -109099.1472 298.3757 -161017.5307 -108733.8951 298.3576 -179.4200 -150.1181 765945.3308 16.4604 16.3335 PRESSURE: 374600 60.1607 74.1214 -192.881 74.1212 -5.38237 205.437 -192.881 205.438 177.208 GPRESSURE: 374600 164.291 125.825 -173.584 169.717 17.0732 250.765 -188.009 179.71 139.384 PRESSAVG: 374600 34.305 -0.135658 -55.2338 -0.135758 -18.7487 13.2036 -55.2338 13.2036 -0.830289 GPRESSAVG: 374600 35.926 0.520613 -53.3516 1.37099 -19.2429 11.8415 -59.6302 13.7149 -1.74555 TIMING: 374600 CPU: 1167.83, 0.00313927/step Wall: 1167.83, 0.00313927/step, 4.03344 hours remaining, 233.324219 MB of memory in use. ENERGY: 374600 3987.4398 20518.8010 14441.7774 242.3428 -203576.7683 3135.7347 0.0000 0.0000 52049.2763 -109201.3963 299.1279 -161250.6726 -108843.4121 298.5813 77.3289 106.9160 763898.0560 4.9087 4.9792 PRESSURE: 374800 -275.486 62.5126 234.592 62.5125 -296.431 -112.151 234.592 -112.15 -208.444 GPRESSURE: 374800 -257.517 -14.4648 193.437 -1.35096 -257.556 -107.031 193.269 -107.15 -177.887 PRESSAVG: 374800 -31.2892 -41.7994 1.85892 -41.7994 28.4198 -0.284157 1.85892 -0.284259 15.4444 GPRESSAVG: 374800 -33.3356 -38.1235 0.763016 -45.0255 28.7278 0.345319 4.21563 -0.182385 17.3286 TIMING: 374800 CPU: 1168.46, 0.00313112/step Wall: 1168.46, 0.00313112/step, 4.0228 hours remaining, 233.324219 MB of memory in use. ENERGY: 374800 4015.6235 20469.8767 14429.0129 251.7554 -203144.4062 2716.0474 0.0000 0.0000 52255.6612 -109006.4292 300.3140 -161262.0904 -108637.2386 298.6418 -260.1204 -230.9868 764394.3002 4.1916 4.2402 PRESSURE: 375000 -572.448 -68.7308 -19.0901 -68.7305 -350.752 -34.0014 -19.0908 -34.0019 -292.267 GPRESSURE: 375000 -501.75 132.878 34.2504 -128.557 -271.997 -24.6252 10.8103 -25.8737 -320.68 PRESSAVG: 375000 -46.5584 29.6758 -18.6094 29.6758 50.7267 -18.0306 -18.6094 -18.0306 18.2686 GPRESSAVG: 375000 -45.0658 28.3535 -17.0228 29.124 50.757 -19.2124 -19.2606 -17.3596 17.424 TIMING: 375000 CPU: 1169.08, 0.0031117/step Wall: 1169.08, 0.0031117/step, 3.99767 hours remaining, 233.324219 MB of memory in use. ENERGY: 375000 4026.8854 20646.7505 14477.8057 253.8970 -202724.8111 2333.3736 0.0000 0.0000 52089.5578 -108896.5411 299.3594 -160986.0989 -108539.0923 298.9541 -405.1557 -364.8089 764624.2169 7.4790 7.7051 PRESSURE: 375200 -81.8333 -130.267 149.372 -130.268 158.215 -155.949 149.372 -155.949 -49.5144 GPRESSURE: 375200 -28.5763 -118.488 130.311 -106.281 140.532 -79.1304 53.9418 -149.389 -7.31887 PRESSAVG: 375200 -51.7632 4.56317 0.0415117 4.56318 44.8589 -16.1499 0.0415177 -16.1499 -1.58003 GPRESSAVG: 375200 -51.6039 2.86468 -0.95494 6.75274 44.4475 -15.0201 -1.04149 -17.5744 -1.82683 TIMING: 375200 CPU: 1169.7, 0.00311462/step Wall: 1169.7, 0.00311462/step, 4.00125 hours remaining, 233.324219 MB of memory in use. ENERGY: 375200 4024.5967 20717.4402 14419.1280 233.4707 -203387.9626 3178.2431 0.0000 0.0000 52255.7125 -108559.3715 300.3143 -160815.0839 -108190.0471 299.3001 8.9559 34.8790 764878.9844 -2.8281 -2.9944 PRESSURE: 375400 -138.438 139.311 -51.6026 139.311 -506.277 255.189 -51.6032 255.19 -327.008 GPRESSURE: 375400 -281.809 159.873 27.9118 103.04 -362.492 231.177 -122.138 139.395 -252.283 PRESSAVG: 375400 -30.6051 2.34158 -31.0915 2.3416 12.3884 -22.1773 -31.0915 -22.1772 16.2766 GPRESSAVG: 375400 -32.0285 3.42688 -31.1097 1.89006 14.0765 -22.4929 -30.2019 -22.5474 15.9088 TIMING: 375400 CPU: 1170.33, 0.00311744/step Wall: 1170.33, 0.00311744/step, 4.0047 hours remaining, 233.324219 MB of memory in use. ENERGY: 375400 4008.5332 20535.9423 14481.1020 252.9375 -203013.4328 2821.6364 0.0000 0.0000 52262.8013 -108650.4801 300.3550 -160913.2814 -108283.4095 299.6633 -323.9079 -298.8616 768034.1659 -0.6467 -0.6811 PRESSURE: 375600 -81.9496 4.76481 -18.0406 4.76534 -119.357 83.9538 -18.0409 83.9541 114.786 GPRESSURE: 375600 -10.7671 34.0206 109.772 -49.6811 -146.714 11.3369 21.7094 17.2651 164.65 PRESSAVG: 375600 26.9551 27.8835 12.2606 27.8835 1.46572 19.6823 12.2606 19.6824 -0.994122 GPRESSAVG: 375600 28.2612 26.5108 13.7596 27.7017 -0.741733 19.7953 9.39604 22.1062 -0.231109 TIMING: 375600 CPU: 1170.95, 0.00309463/step Wall: 1170.95, 0.00309463/step, 3.97523 hours remaining, 233.324219 MB of memory in use. ENERGY: 375600 3994.9201 20738.0620 14512.4857 246.6964 -203207.2645 3028.8554 0.0000 0.0000 52019.5921 -108666.6529 298.9573 -160686.2449 -108308.0563 299.4232 -28.8403 2.3894 765298.0412 9.1422 9.0961 PRESSURE: 375800 397.512 -132.211 -191.762 -132.211 119.114 11.7206 -191.763 11.7222 -34.5981 GPRESSURE: 375800 380.694 -142.126 -165.944 42.5225 184.074 90.4264 -43.3409 106.087 -11.5504 PRESSAVG: 375800 18.3039 -52.588 -24.7047 -52.5881 -53.243 -18.2092 -24.7046 -18.2091 -9.20658 GPRESSAVG: 375800 17.7938 -51.4609 -25.0393 -51.959 -52.4715 -17.38 -22.958 -19.9397 -9.03597 TIMING: 375800 CPU: 1171.57, 0.0031095/step Wall: 1171.57, 0.0031095/step, 3.99415 hours remaining, 233.324219 MB of memory in use. ENERGY: 375800 4027.9068 20592.2285 14459.5320 261.5854 -203552.5177 3379.4149 0.0000 0.0000 52266.7215 -108565.1285 300.3776 -160831.8500 -108194.5893 299.7444 160.6761 184.4058 764262.8959 -14.7152 -14.5712 PRESSURE: 376000 -187.124 -306.515 188.204 -306.515 -107.917 213.011 188.204 213.01 -271.466 GPRESSURE: 376000 -128.799 -224.551 205.031 -249.759 -118.782 174.58 106.475 188.569 -242.483 PRESSAVG: 376000 73.6452 -87.439 -45.537 -87.439 -30.0064 28.3594 -45.5369 28.3594 -19.0709 GPRESSAVG: 376000 72.4176 -87.3988 -46.4407 -86.6352 -30.0444 26.6604 -46.8846 29.9941 -17.8382 TIMING: 376000 CPU: 1172.19, 0.00311427/step Wall: 1172.19, 0.00311427/step, 4.00011 hours remaining, 233.324219 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: 376000 3940.0167 20643.6047 14419.5416 249.2925 -203168.8273 2835.7348 0.0000 0.0000 52351.5849 -108729.0520 300.8653 -161080.6369 -108375.3194 299.7181 -188.8356 -163.3543 765254.3310 8.1893 8.1783 PRESSURE: 376200 -71.3339 38.4693 -50.8465 38.4686 -412.817 -43.3701 -50.8474 -43.3716 -224.746 GPRESSURE: 376200 -63.5458 41.7091 10.375 -15.6631 -339.087 55.9569 -52.5347 29.2313 -220.981 PRESSAVG: 376200 67.0945 -16.9697 -0.0858242 -16.9697 -80.846 43.8357 -0.0858445 43.8357 -8.15245 GPRESSAVG: 376200 68.3913 -17.7548 0.171878 -18.7042 -80.9752 42.8024 2.32144 41.3042 -9.5108 TIMING: 376200 CPU: 1172.81, 0.00310839/step Wall: 1172.81, 0.00310839/step, 3.99238 hours remaining, 233.324219 MB of memory in use. ENERGY: 376200 3964.7084 20576.6876 14513.8689 262.0014 -202811.5497 2654.3191 0.0000 0.0000 51980.7200 -108859.2443 298.7339 -160839.9643 -108498.8594 299.2348 -236.2991 -207.8712 764995.7110 -7.3013 -7.3649 LDB: ============= START OF LOAD BALANCING ============== 1185.29 LDB: ============== END OF LOAD BALANCING =============== 1185.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1185.29 LDB: ============= START OF LOAD BALANCING ============== 1185.6 LDB: Largest compute 7052 load 0.031329 is 16.1% of average load 0.194801 LDB: Average compute 0.004377 is 2.2% of average load 0.194801 LDB: TIME 1185.61 LOAD: AVG 0.194801 MAX 0.214956 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.355 MB LDB: TIME 1185.61 LOAD: AVG 0.194801 MAX 0.214956 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.359 MB LDB: TIME 1185.61 LOAD: AVG 0.194801 MAX 0.214956 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.359 MB LDB: ============== END OF LOAD BALANCING =============== 1185.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1185.61 PRESSURE: 376400 41.7307 -280.055 -181.802 -280.055 -2.92821 -236.895 -181.802 -236.896 138.876 GPRESSURE: 376400 21.5093 -228.509 -231.562 -59.5046 67.8403 -275.299 -129.455 -115.462 172.261 PRESSAVG: 376400 36.2938 14.7939 57.2907 14.7939 -25.4329 53.0788 57.2907 53.0788 -3.3338 GPRESSAVG: 376400 35.3055 15.6098 58.0427 14.8234 -24.9279 54.3444 55.4647 55.1696 -2.74212 TIMING: 376400 CPU: 1173.45, 0.00318102/step Wall: 1173.45, 0.00318102/step, 4.08549 hours remaining, 235.449219 MB of memory in use. ENERGY: 376400 4022.3746 20521.8715 14514.1297 244.4210 -202947.4001 2783.2879 0.0000 0.0000 52085.2710 -108776.0445 299.3348 -160861.3155 -108424.9833 299.2928 59.2263 87.2036 764101.3159 2.5090 2.5452 PRESSURE: 376600 77.8123 123.252 220.279 123.253 82.9105 -17.9318 220.279 -17.9329 171.065 GPRESSURE: 376600 132.744 149.97 143.075 52.5829 62.1561 -11.9444 239.685 -36.5648 200.411 PRESSAVG: 376600 13.5859 -33.6139 25.0965 -33.6138 23.7781 0.470472 25.0965 0.470511 7.83375 GPRESSAVG: 376600 14.8297 -34.7791 23.8607 -30.1811 23.5618 0.124083 25.3671 -1.18547 6.27132 TIMING: 376600 CPU: 1174.07, 0.00311288/step Wall: 1174.07, 0.00311288/step, 3.9978 hours remaining, 235.449219 MB of memory in use. ENERGY: 376600 3982.5375 20628.2156 14506.3862 255.5398 -202905.4162 2823.1564 0.0000 0.0000 52014.9463 -108694.6343 298.9306 -160709.5806 -108336.6464 299.4318 110.5958 131.7704 765330.2108 15.0659 14.8876 PRESSURE: 376800 -53.0086 19.7877 -240.76 19.7884 -52.2091 -168.256 -240.76 -168.256 95.1628 GPRESSURE: 376800 19.5755 38.1223 -193.587 82.4017 -83.4375 -103.194 -197.922 -90.2288 112.554 PRESSAVG: 376800 -1.56472 17.9411 29.847 17.941 7.42168 8.04148 29.847 8.04146 -22.5568 GPRESSAVG: 376800 -3.77725 19.274 30.9681 16.0957 7.35994 9.46311 31.516 8.7608 -20.4232 TIMING: 376800 CPU: 1174.7, 0.00313112/step Wall: 1174.7, 0.00313112/step, 4.02105 hours remaining, 235.449219 MB of memory in use. ENERGY: 376800 4013.9249 20649.1179 14489.3818 251.3922 -202746.5779 2824.1264 0.0000 0.0000 52046.0437 -108472.5909 299.1093 -160518.6346 -108118.9660 299.5681 -3.3516 16.2306 765777.3156 -5.5666 -5.6135 PRESSURE: 377000 440.654 -1.64753 211.382 -1.64776 125.928 264.872 211.381 264.873 681.47 GPRESSURE: 377000 475.417 19.8134 147.361 -97.8028 205.265 203.24 207.934 242.682 645.167 PRESSAVG: 377000 18.4824 41.0545 29.5494 41.0545 32.6882 58.7241 29.5495 58.7241 19.8417 GPRESSAVG: 377000 19.1511 41.4686 29.8822 40.3918 33.9424 57.8398 30.1603 60.5083 17.2175 TIMING: 377000 CPU: 1175.32, 0.0031381/step Wall: 1175.32, 0.0031381/step, 4.02984 hours remaining, 235.449219 MB of memory in use. ENERGY: 377000 3933.5006 20679.7378 14494.1493 242.5663 -203252.3051 3274.8629 0.0000 0.0000 52271.9943 -108355.4939 300.4079 -160627.4882 -108008.2216 299.8432 416.0173 441.9494 764994.7908 23.6708 23.4370 PRESSURE: 377200 -221.746 -189.633 -97.3451 -189.632 -161.902 234.706 -97.345 234.707 85.3834 GPRESSURE: 377200 -176.425 -178.987 -55.1533 -88.5358 -154.512 224.16 -152.834 116.868 116.137 PRESSAVG: 377200 12.8589 -10.5664 29.4877 -10.5664 -15.3767 13.4891 29.4878 13.489 -1.21925 GPRESSAVG: 377200 13.0917 -10.5341 28.6452 -10.8798 -17.0567 12.3504 26.811 13.6047 0.374189 TIMING: 377200 CPU: 1175.95, 0.00313774/step Wall: 1175.95, 0.00313774/step, 4.0292 hours remaining, 235.449219 MB of memory in use. ENERGY: 377200 3974.3619 20681.8325 14499.5032 236.4059 -202573.9934 2674.0538 0.0000 0.0000 52081.6153 -108426.2209 299.3138 -160507.8362 -108071.5069 299.9978 -99.4215 -71.6002 766608.3164 -1.2457 -1.1969 PRESSURE: 377400 160.788 -161.068 93.8179 -161.068 6.4414 188.62 93.8174 188.621 93.0135 GPRESSURE: 377400 179.306 -145.012 91.4144 -123.969 29.5684 122.881 170.152 169.904 105.746 PRESSAVG: 377400 20.7591 -2.32763 -7.15328 -2.32761 -36.6761 4.78518 -7.15326 4.78521 27.6849 GPRESSAVG: 377400 20.4518 -3.23355 -6.50373 -0.345809 -36.745 4.66961 -6.72472 2.14509 27.4261 TIMING: 377400 CPU: 1176.57, 0.00311005/step Wall: 1176.57, 0.00311005/step, 3.99348 hours remaining, 235.449219 MB of memory in use. ENERGY: 377400 4055.1705 20585.5361 14403.2427 257.4390 -202878.9943 2656.4580 0.0000 0.0000 52334.7587 -108586.3893 300.7686 -160921.1480 -108216.0359 299.6366 86.7475 104.8734 765679.6327 3.9227 3.7110 PRESSURE: 377600 162.014 68.2277 -130.902 68.2282 -158.957 281.568 -130.902 281.568 -252.097 GPRESSURE: 377600 180.037 28.5952 -146.948 -14.8931 -39.359 306.046 -135.213 188.382 -321.912 PRESSAVG: 377600 38.0083 -27.8185 -58.272 -27.8185 -32.9185 39.1147 -58.272 39.1147 12.3564 GPRESSAVG: 377600 38.3223 -26.5407 -60.1559 -28.1157 -32.9201 40.4603 -55.2373 38.9171 11.8969 TIMING: 377600 CPU: 1177.2, 0.00312132/step Wall: 1177.2, 0.00312132/step, 4.00778 hours remaining, 235.449219 MB of memory in use. ENERGY: 377600 4016.5002 20659.5110 14527.4241 251.1205 -203171.2998 3169.9646 0.0000 0.0000 52038.2947 -108508.4847 299.0648 -160546.7795 -108156.4315 299.8035 -83.0134 -60.4114 766203.7255 5.8154 5.7664 PRESSURE: 377800 -21.9126 -27.3914 -140.592 -27.3917 69.9621 211.694 -140.592 211.694 -153.271 GPRESSURE: 377800 -88.9177 -23.1748 -196.361 -76.7314 122.124 240.888 -120.723 144.974 -37.7069 PRESSAVG: 377800 -8.60147 3.23459 3.4623 3.23453 1.00291 26.9363 3.46224 26.9363 -9.31191 GPRESSAVG: 377800 -7.94173 3.64768 3.86857 2.81416 0.449208 25.7053 1.21964 28.4447 -9.8138 TIMING: 377800 CPU: 1177.82, 0.00311804/step Wall: 1177.82, 0.00311804/step, 4.00339 hours remaining, 235.449219 MB of memory in use. ENERGY: 377800 4057.3593 20554.1767 14521.7087 260.1323 -203018.0329 3052.2213 0.0000 0.0000 51997.3040 -108575.1305 298.8292 -160572.4345 -108222.1985 299.8607 -35.0737 -1.5003 767011.6194 -5.6368 -5.7688 PRESSURE: 378000 281.316 8.80255 -8.00762 8.8027 -135.051 9.1949 -8.00754 9.19459 -34.9631 GPRESSURE: 378000 289.93 64.2248 -18.5739 49.9106 13.3077 40.5977 10.5396 90.2483 -110.505 PRESSAVG: 378000 13.2423 -30.1752 3.40725 -30.1753 -6.54078 23.8682 3.40725 23.8682 1.44155 GPRESSAVG: 378000 12.4823 -31.7942 2.56662 -28.2119 -7.72166 24.1323 4.11533 23.2993 3.36352 TIMING: 378000 CPU: 1178.45, 0.00312909/step Wall: 1178.45, 0.00312909/step, 4.0174 hours remaining, 235.449219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 378000 3975.4908 20586.1053 14451.6276 237.2581 -202847.6714 2951.0928 0.0000 0.0000 52138.4992 -108507.5977 299.6407 -160646.0968 -108146.2338 299.7335 37.1006 64.2443 764994.3268 2.7144 2.7081 PRESSURE: 378200 -133.954 -13.3543 -110.924 -13.3538 -147.42 -55.8358 -110.925 -55.836 -194.399 GPRESSURE: 378200 -123.235 11.2466 -157.65 -42.5523 -79.6936 -51.105 -37.0946 -106.191 -173.675 PRESSAVG: 378200 17.4145 -34.412 -10.6794 -34.412 -47.3419 5.0514 -10.6794 5.05139 30.0737 GPRESSAVG: 378200 17.7352 -32.0038 -8.62077 -37.0299 -46.7765 5.11543 -10.7866 6.22313 29.3913 TIMING: 378200 CPU: 1179.07, 0.0031253/step Wall: 1179.07, 0.0031253/step, 4.01237 hours remaining, 235.449219 MB of memory in use. ENERGY: 378200 3992.6842 20478.1833 14491.4553 253.6952 -203042.0422 3116.2571 0.0000 0.0000 52254.6204 -108455.1467 300.3080 -160709.7671 -108095.3864 300.0216 -158.5910 -125.5342 766887.5570 0.0488 0.1167 PRESSURE: 378400 -174.566 84.7144 -54.6139 84.7141 88.2786 0.783736 -54.6142 0.78185 -208.565 GPRESSURE: 378400 -13.2959 119.003 8.46025 156.847 53.149 -34.9134 -137.566 72.091 -245.981 PRESSAVG: 378400 32.7192 -5.05052 54.7129 -5.05058 -50.6977 20.3258 54.7128 20.3259 -22.2891 GPRESSAVG: 378400 32.9852 -6.77039 53.5863 -4.35232 -50.3049 20.1838 53.7446 18.3357 -23.1988 TIMING: 378400 CPU: 1179.7, 0.00312578/step Wall: 1179.7, 0.00312578/step, 4.01281 hours remaining, 235.449219 MB of memory in use. ENERGY: 378400 3961.8497 20589.6762 14487.8261 249.3573 -203053.5661 3011.7578 0.0000 0.0000 52009.5613 -108743.5377 298.8997 -160753.0990 -108378.5555 299.7762 -98.2841 -68.7092 765303.7541 -13.4225 -13.5062 PRESSURE: 378600 -127.46 223.231 -156.991 223.231 63.048 126.952 -156.993 126.951 97.6372 GPRESSURE: 378600 -100.698 154.02 -180.783 45.3321 49.5261 105.33 -295.61 158.729 162.487 PRESSAVG: 378600 39.7063 -14.7293 5.42553 -14.7294 -26.7186 -20.354 5.42552 -20.3539 -13.1267 GPRESSAVG: 378600 40.108 -15.3658 6.08165 -14.5513 -27.7829 -20.594 5.77459 -18.6339 -12.2321 TIMING: 378600 CPU: 1180.32, 0.00310665/step Wall: 1180.32, 0.00310665/step, 3.98808 hours remaining, 235.449219 MB of memory in use. ENERGY: 378600 4019.0315 20633.7257 14434.8307 246.2071 -203090.3388 2944.7494 0.0000 0.0000 52083.9112 -108727.8832 299.3270 -160811.7944 -108377.4382 299.5650 11.0750 37.1048 765087.2964 -0.0463 0.0310 PRESSURE: 378800 262.991 61.7236 38.3419 61.7234 227.206 -217.727 38.3423 -217.727 8.43697 GPRESSURE: 378800 319.78 32.2526 -60.0136 39.9337 200.975 -268.575 39.4966 -106.797 50.4751 PRESSAVG: 378800 -1.52263 -39.7462 9.73837 -39.7462 -12.7253 -23.1357 9.73835 -23.1357 16.439 GPRESSAVG: 378800 -2.17623 -38.8305 9.54145 -39.9868 -12.292 -23.8765 9.27286 -22.5261 16.91 TIMING: 378800 CPU: 1180.95, 0.00316545/step Wall: 1180.95, 0.00316545/step, 4.06338 hours remaining, 235.449219 MB of memory in use. ENERGY: 378800 3912.7269 20624.3234 14436.7031 261.5633 -203399.9611 3146.8344 0.0000 0.0000 51975.5924 -109042.2176 298.7044 -161017.8100 -108666.4446 298.9713 166.2113 190.4098 764279.3005 0.7304 0.8139 PRESSURE: 379000 353.463 -79.736 186.481 -79.7356 -13.6292 -161.513 186.481 -161.512 -60.8833 GPRESSURE: 379000 319.978 -22.329 215.381 -11.0625 49.7823 -169.933 185.751 -2.32368 4.39749 PRESSAVG: 379000 32.1485 16.3249 -11.069 16.3249 -12.3106 -39.6515 -11.069 -39.6515 20.6351 GPRESSAVG: 379000 32.2387 15.5563 -8.64079 16.6243 -11.5734 -38.0638 -9.88725 -41.1894 19.6716 TIMING: 379000 CPU: 1181.58, 0.00315385/step Wall: 1181.58, 0.00315385/step, 4.04831 hours remaining, 235.449219 MB of memory in use. ENERGY: 379000 3889.2788 20486.3965 14430.1952 253.5832 -203313.1190 3040.4368 0.0000 0.0000 52147.7058 -109065.5228 299.6936 -161213.2286 -108694.4876 298.8057 92.9834 124.7193 765750.0280 13.4910 13.4456 PRESSURE: 379200 -68.8251 -73.8862 159.642 -73.8857 -57.0259 178.592 159.642 178.592 -47.0384 GPRESSURE: 379200 -55.5674 -146.592 134.75 -130.039 4.54048 156.142 77.7496 283.306 -36.5228 PRESSAVG: 379200 21.8362 7.75072 -38.0427 7.75078 -47.9864 6.56761 -38.0428 6.56767 -13.3662 GPRESSAVG: 379200 20.9617 8.67352 -40.8314 8.00839 -47.3926 6.85913 -37.5954 5.57266 -12.1463 TIMING: 379200 CPU: 1182.2, 0.00310629/step Wall: 1182.2, 0.00310629/step, 3.9871 hours remaining, 235.449219 MB of memory in use. ENERGY: 379200 4023.3168 20683.3240 14444.0106 262.4596 -203072.4469 2960.6566 0.0000 0.0000 51817.0573 -108881.6220 297.7933 -160698.6793 -108526.6597 298.9430 -57.6298 -29.1832 765510.6238 -13.1721 -12.8591 PRESSURE: 379400 287.452 22.4418 -155.193 22.4417 -122.375 -22.6988 -155.193 -22.6993 273.822 GPRESSURE: 379400 372.516 92.4289 -251.349 19.5143 -76.0395 -57.2888 74.038 -62.5385 230.263 PRESSAVG: 379400 8.0097 -7.5471 -67.0532 -7.54707 -31.516 28.545 -67.0532 28.5449 20.3266 GPRESSAVG: 379400 9.4327 -9.01648 -66.5826 -9.08679 -30.7822 26.9577 -65.6404 31.6907 18.4262 TIMING: 379400 CPU: 1182.82, 0.00309878/step Wall: 1182.82, 0.00309878/step, 3.97728 hours remaining, 235.449219 MB of memory in use. ENERGY: 379400 3898.4020 20490.7392 14524.0707 274.4819 -203050.8869 3102.5261 0.0000 0.0000 52043.3671 -108717.2999 299.0939 -160760.6670 -108356.9775 299.3970 146.2996 175.5798 764715.9102 -1.0599 -0.9744 PRESSURE: 379600 -41.4818 63.936 24.4554 63.936 230.074 -34.7908 24.455 -34.7905 23.024 GPRESSURE: 379600 70.9907 19.6427 11.4762 88.4934 181.689 -117.713 1.49191 -49.814 59.3959 PRESSAVG: 379600 -11.3257 -53.1611 66.4636 -53.161 5.53933 23.4791 66.4636 23.4791 -33.3541 GPRESSAVG: 379600 -11.087 -52.0105 65.2852 -51.9447 4.74381 24.9908 64.2386 22.4765 -32.4406 TIMING: 379600 CPU: 1183.45, 0.00312858/step Wall: 1183.45, 0.00312858/step, 4.01535 hours remaining, 235.449219 MB of memory in use. ENERGY: 379600 3975.9607 20497.7919 14487.9491 255.7676 -203097.8813 2743.8844 0.0000 0.0000 52343.1689 -108793.3586 300.8169 -161136.5275 -108429.9067 299.6558 70.5387 104.0251 764088.0730 -13.0468 -12.9279 PRESSURE: 379800 -93.3223 -60.7017 275.752 -60.7008 -296.965 0.981893 275.753 0.982382 -161.828 GPRESSURE: 379800 -114.182 -1.63581 233.441 -165.808 -214.485 14.6959 264.116 -167.027 -133.967 PRESSAVG: 379800 1.49321 -25.1902 20.957 -25.1901 -2.44139 -7.4552 20.9571 -7.45517 4.79206 GPRESSAVG: 379800 0.311327 -26.0604 22.8014 -24.5038 -1.48056 -8.04581 20.5072 -8.92663 4.45271 TIMING: 379800 CPU: 1184.07, 0.00312001/step Wall: 1184.07, 0.00312001/step, 4.00419 hours remaining, 235.449219 MB of memory in use. ENERGY: 379800 3997.4364 20636.9001 14422.3977 259.2678 -202675.4691 2536.2820 0.0000 0.0000 52093.0249 -108730.1603 299.3793 -160823.1852 -108368.4730 299.5258 -184.0384 -154.2113 765189.6614 1.2813 1.0945 PRESSURE: 380000 -551.86 -95.3791 -196.526 -95.3796 -242.772 -31.782 -196.526 -31.7796 119.574 GPRESSURE: 380000 -465.352 -33.0011 -257.759 -122.06 -180.307 -55.618 -102.938 -14.3925 39.0094 PRESSAVG: 380000 -20.9016 -13.7321 24.1613 -13.7322 15.9069 -1.58836 24.1613 -1.58833 -2.57544 GPRESSAVG: 380000 -19.1004 -14.5657 24.1281 -15.1324 15.5936 -2.26909 24.9901 0.311343 -3.47103 TIMING: 380000 CPU: 1184.69, 0.00309981/step Wall: 1184.69, 0.00309981/step, 3.97809 hours remaining, 235.449219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 380000 4017.3925 20727.0824 14429.6631 264.2881 -202851.6493 2736.1755 0.0000 0.0000 52002.0824 -108674.9653 298.8567 -160677.0477 -108314.6612 299.2787 -225.0196 -202.2166 765124.7492 -2.5234 -2.3259 PRESSURE: 380200 109.003 -110.923 -70.4619 -110.922 225.52 -145.679 -70.4624 -145.68 -80.1373 GPRESSURE: 380200 211.986 2.36672 -59.2792 -34.9783 196.954 -201.987 -98.8666 -110.537 -88.009 PRESSAVG: 380200 -15.8985 -9.45485 31.9134 -9.45483 -16.7788 6.55797 31.9134 6.55792 -8.70242 GPRESSAVG: 380200 -17.9146 -7.73117 30.8615 -6.49391 -16.5513 6.42527 33.5324 4.83117 -6.2504 TIMING: 380200 CPU: 1185.32, 0.00310969/step Wall: 1185.32, 0.00310969/step, 3.9906 hours remaining, 235.449219 MB of memory in use. ENERGY: 380200 4046.6409 20661.1298 14481.1025 236.8547 -202964.6961 2850.3750 0.0000 0.0000 52072.6120 -108615.9812 299.2620 -160688.5932 -108255.0616 299.3985 84.7953 106.9769 765164.8195 -13.7932 -13.5721 LDB: ============= START OF LOAD BALANCING ============== 1197.79 LDB: ============== END OF LOAD BALANCING =============== 1197.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1197.8 LDB: ============= START OF LOAD BALANCING ============== 1198.11 LDB: Largest compute 7052 load 0.031497 is 16.2% of average load 0.194787 LDB: Average compute 0.004386 is 2.3% of average load 0.194787 LDB: TIME 1198.11 LOAD: AVG 0.194787 MAX 0.215123 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.527 MB LDB: TIME 1198.11 LOAD: AVG 0.194787 MAX 0.215123 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.527 MB LDB: TIME 1198.11 LOAD: AVG 0.194787 MAX 0.215123 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.527 MB LDB: ============== END OF LOAD BALANCING =============== 1198.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1198.12 PRESSURE: 380400 -102.491 -49.4395 -84.3405 -49.4395 -179.953 -304.105 -84.3405 -304.106 -202.12 GPRESSURE: 380400 -31.6321 -70.5645 12.2875 -109.303 -211.577 -268.378 -126.131 -241.197 -178.262 PRESSAVG: 380400 -4.28558 16.0777 22.3841 16.0777 -53.1405 -3.48548 22.384 -3.48553 -7.07689 GPRESSAVG: 380400 -3.8262 16.9559 23.4473 13.5873 -53.1543 -2.94416 21.2585 -2.73543 -7.28111 TIMING: 380400 CPU: 1185.95, 0.00318306/step Wall: 1185.95, 0.00318306/step, 4.08457 hours remaining, 234.753906 MB of memory in use. ENERGY: 380400 4046.8485 20728.6455 14382.2360 252.8858 -202856.1182 2846.8347 0.0000 0.0000 51983.1753 -108615.4925 298.7480 -160598.6678 -108254.6246 299.5722 -161.5214 -140.4903 765778.0545 -21.5010 -21.4205 PRESSURE: 380600 2.29305 105.883 -63.551 105.883 -255.107 -133.611 -63.5508 -133.611 -184.227 GPRESSURE: 380600 21.8359 28.3463 -110.18 224.106 -223.167 -212.407 -34.7317 -118.857 -150.459 PRESSAVG: 380600 -14.9504 10.9791 -5.5679 10.9791 -12.9221 -54.3391 -5.56785 -54.339 10.0519 GPRESSAVG: 380600 -14.5821 10.421 -4.7912 12.4087 -13.0318 -56.3891 -4.81872 -53.695 9.46733 TIMING: 380600 CPU: 1186.58, 0.00312606/step Wall: 1186.58, 0.00312606/step, 4.01126 hours remaining, 234.753906 MB of memory in use. ENERGY: 380600 4042.6285 20518.2321 14338.5286 243.4614 -202831.8046 2912.3678 0.0000 0.0000 52224.2180 -108552.3683 300.1333 -160776.5863 -108183.4069 299.5083 -145.6806 -117.2633 765518.2847 -5.9402 -6.0489 PRESSURE: 380800 87.5898 73.696 187.756 73.6953 -84.1769 -223.741 187.755 -223.74 247.088 GPRESSURE: 380800 155.581 90.8223 82.937 12.7753 61.5416 -208.363 97.481 -176.209 120.103 PRESSAVG: 380800 40.7789 14.6796 3.9668 14.6797 -11.5927 -39.5602 3.96679 -39.5602 -30.9032 GPRESSAVG: 380800 40.3283 14.2356 2.20057 12.8678 -11.8332 -38.4176 2.66142 -38.5654 -30.5666 TIMING: 380800 CPU: 1187.2, 0.00311746/step Wall: 1187.2, 0.00311746/step, 4.00005 hours remaining, 234.753906 MB of memory in use. ENERGY: 380800 4079.6880 20517.8090 14425.3809 232.2681 -203015.7666 3287.0265 0.0000 0.0000 52200.1688 -108273.4254 299.9951 -160473.5942 -107915.0065 299.7567 83.5003 112.4084 765275.6721 -0.5723 -0.6905 PRESSURE: 381000 92.7487 81.5819 148.607 81.5828 -219.05 -71.1343 148.607 -71.1347 -425.929 GPRESSURE: 381000 98.4768 111.402 154.592 39.8876 -90.5102 19.3318 192.761 -115.352 -476.21 PRESSAVG: 381000 -1.45454 -0.611475 29.2258 -0.611502 -6.62823 28.6002 29.2259 28.6001 16.9421 GPRESSAVG: 381000 -0.79207 0.946994 31.4533 -0.293219 -6.34048 28.8607 30.4536 27.0001 16.4053 TIMING: 381000 CPU: 1187.82, 0.0031076/step Wall: 1187.82, 0.0031076/step, 3.98722 hours remaining, 234.753906 MB of memory in use. ENERGY: 381000 4056.8959 20623.2658 14502.5545 256.9190 -202891.1426 3004.1151 0.0000 0.0000 52120.1629 -108327.2294 299.5353 -160447.3923 -107966.7344 300.1657 -184.0766 -156.0812 764987.0700 2.9531 3.0909 PRESSURE: 381200 -75.4777 -3.22115 76.2048 -3.22124 -271.885 10.8142 76.2055 10.8136 -176.363 GPRESSURE: 381200 -18.3165 -184.048 74.6077 -80.4162 -247.32 -14.4907 129.131 92.4736 -180.515 PRESSAVG: 381200 11.1881 -0.9377 89.2701 -0.937657 -19.9773 -18.1132 89.2702 -18.1132 -18.4696 GPRESSAVG: 381200 9.95977 -3.31917 88.9692 -1.4701 -19.8169 -16.162 89.179 -18.0557 -17.3745 TIMING: 381200 CPU: 1188.45, 0.00312222/step Wall: 1188.45, 0.00312222/step, 4.00581 hours remaining, 234.753906 MB of memory in use. ENERGY: 381200 3976.7960 20635.3301 14461.7887 253.9894 -202703.0222 2736.9429 0.0000 0.0000 52232.6908 -108405.4843 300.1820 -160638.1751 -108041.6170 300.6590 -174.5752 -148.7170 765215.5645 -9.0863 -9.0772 PRESSURE: 381400 -144.06 -64.2236 -14.3572 -64.2239 -251.12 -84.8914 -14.3574 -84.892 -215.399 GPRESSURE: 381400 -139.985 -18.2223 -61.8962 -37.4453 -201.811 -158.94 -20.3012 -165.319 -179.527 PRESSAVG: 381400 23.5804 45.1662 13.219 45.1661 -31.4474 -38.6561 13.2189 -38.6561 19.4333 GPRESSAVG: 381400 24.5362 48.1254 11.5913 47.3158 -30.4644 -39.3297 14.8975 -38.8665 17.633 TIMING: 381400 CPU: 1189.08, 0.00314597/step Wall: 1189.08, 0.00314597/step, 4.03611 hours remaining, 234.753906 MB of memory in use. ENERGY: 381400 3909.0458 20478.9315 14484.6857 261.7860 -202582.6689 2678.8447 0.0000 0.0000 52319.2203 -108450.1549 300.6793 -160769.3752 -108083.6399 300.3642 -203.5266 -173.7741 765794.1696 3.8555 3.9016 PRESSURE: 381600 -393.196 118.152 160.012 118.152 -363.973 270.817 160.011 270.818 -238.891 GPRESSURE: 381600 -380.913 126.088 197.567 163.577 -250.785 174.942 140.888 168.926 -277.111 PRESSAVG: 381600 -14.326 77.9151 -24.7759 77.9151 -37.5956 -65.8647 -24.776 -65.8647 -16.2314 GPRESSAVG: 381600 -14.3747 76.3227 -24.3413 77.4382 -39.0861 -66.5371 -27.2077 -64.9214 -15.1835 TIMING: 381600 CPU: 1189.71, 0.00314861/step Wall: 1189.71, 0.00314861/step, 4.03931 hours remaining, 234.753906 MB of memory in use. ENERGY: 381600 3992.4003 20587.4771 14438.7159 277.6432 -202291.5397 2352.3784 0.0000 0.0000 52132.3146 -108510.6101 299.6051 -160642.9248 -108151.8449 300.0944 -332.0196 -302.9365 766643.6406 -22.7176 -22.8814 PRESSURE: 381800 247.108 53.7933 -98.6876 53.794 208.705 -121.943 -98.6865 -121.943 15.1539 GPRESSURE: 381800 229.685 71.579 -53.6842 34.057 250.809 -82.4852 -66.1364 -93.9689 49.9688 PRESSAVG: 381800 33.1322 44.5257 25.8678 44.5257 1.80689 -60.2644 25.8679 -60.2645 -0.0539212 GPRESSAVG: 381800 33.3788 44.0692 27.6083 43.1583 2.95823 -60.1692 27.0737 -62.0478 -1.45443 TIMING: 381800 CPU: 1190.33, 0.00311875/step Wall: 1190.33, 0.00311875/step, 4.00084 hours remaining, 234.753906 MB of memory in use. ENERGY: 381800 4031.8188 20831.4201 14347.1482 248.4371 -202919.6961 3055.7911 0.0000 0.0000 52134.5495 -108270.5313 299.6180 -160405.0808 -107921.1767 300.1058 156.9889 176.8209 766080.2702 11.6284 11.6275 PRESSURE: 382000 -352.917 -5.5088 -245.373 -5.50874 -290.586 -105.68 -245.373 -105.68 -298.759 GPRESSURE: 382000 -347.057 -15.9832 -223.073 19.7979 -272.555 -172.084 -314.467 -67.1389 -257.926 PRESSAVG: 382000 11.3182 -2.73807 -8.27064 -2.73806 15.4127 -28.5332 -8.27062 -28.5332 22.9065 GPRESSAVG: 382000 10.5631 -2.57591 -10.5666 -1.42667 15.9998 -29.0033 -10.2542 -26.1419 23.2388 TIMING: 382000 CPU: 1190.96, 0.00314263/step Wall: 1190.96, 0.00314263/step, 4.03129 hours remaining, 234.753906 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: 382000 4009.1938 20608.8569 14374.4367 250.0330 -202691.5989 2893.8269 0.0000 0.0000 52187.0442 -108368.2074 299.9197 -160555.2516 -108014.0684 300.7022 -314.0873 -292.5127 766732.8956 16.5458 16.6006 PRESSURE: 382200 4.1949 -105.411 -297.973 -105.411 -88.7208 -33.6955 -297.974 -33.6958 50.1551 GPRESSURE: 382200 63.5128 -84.7671 -200.814 -10.4196 -115.57 -70.7041 -238.713 -45.2917 90.9643 PRESSAVG: 382200 42.4151 36.6039 6.48423 36.6039 -17.6286 -36.8907 6.48428 -36.8907 -12.4814 GPRESSAVG: 382200 42.252 39.3494 8.55576 35.222 -18.0911 -36.693 7.86977 -38.2743 -11.7505 TIMING: 382200 CPU: 1191.59, 0.00313785/step Wall: 1191.59, 0.00313785/step, 4.02499 hours remaining, 234.753906 MB of memory in use. ENERGY: 382200 4027.8312 20355.1804 14487.8737 243.1452 -202828.5207 3013.2207 0.0000 0.0000 51950.6845 -108750.5850 298.5613 -160701.2694 -108375.2707 299.3826 -11.4570 12.9690 764838.5026 4.1017 4.1368 PRESSURE: 382400 -135.527 125.775 -55.4403 125.776 -16.4108 -149.15 -55.4395 -149.15 -377.779 GPRESSURE: 382400 -174.295 173.723 64.4375 79.9207 -40.7565 -155.139 -60.7666 -152.046 -247.131 PRESSAVG: 382400 -3.05365 -3.41547 -17.2696 -3.41556 37.6202 -73.8278 -17.2696 -73.8279 -17.05 GPRESSAVG: 382400 -2.62144 -5.11034 -16.8429 -2.17293 35.8786 -74.52 -18.0047 -72.3085 -15.5863 TIMING: 382400 CPU: 1192.21, 0.0031287/step Wall: 1192.21, 0.0031287/step, 4.01308 hours remaining, 234.753906 MB of memory in use. ENERGY: 382400 3962.4426 20450.1341 14489.6022 232.1569 -203098.9896 2891.7799 0.0000 0.0000 52271.2321 -108801.6418 300.4035 -161072.8739 -108438.7390 299.1594 -176.5726 -154.0608 763793.8883 5.8389 5.8903 PRESSURE: 382600 240.134 -24.8899 -133.258 -24.8905 110.33 98.8526 -133.258 98.8527 33.8514 GPRESSURE: 382600 289.307 54.5812 -112.714 -89.9585 89.3046 153.961 -104.293 148.037 63.9106 PRESSAVG: 382600 -11.2199 9.75919 -56.3564 9.75911 13.3763 0.00506035 -56.3564 0.00512699 1.87372 GPRESSAVG: 382600 -12.596 10.4434 -58.1857 8.69631 14.4804 0.425716 -57.7698 -0.925115 2.17697 TIMING: 382600 CPU: 1192.84, 0.00314097/step Wall: 1192.84, 0.00314097/step, 4.02864 hours remaining, 234.753906 MB of memory in use. ENERGY: 382600 3967.1564 20623.8149 14441.4800 233.1567 -203116.0849 2844.4137 0.0000 0.0000 52037.6920 -108968.3712 299.0613 -161006.0632 -108608.5007 298.8357 128.1051 147.5074 764694.3173 1.3434 1.3538 PRESSURE: 382800 57.4403 -85.4041 -40.023 -85.4043 155.717 -109.551 -40.0232 -109.551 -39.1557 GPRESSURE: 382800 21.6343 -122.908 -176.741 -86.4729 151.386 -37.7295 -3.31854 -134.596 49.3534 PRESSAVG: 382800 37.1822 2.79004 3.2937 2.79006 -58.7306 -1.71171 3.29364 -1.71169 -10.967 GPRESSAVG: 382800 39.491 2.03836 4.15458 2.30326 -58.3511 0.026225 6.48989 -2.25111 -13.2684 TIMING: 382800 CPU: 1193.47, 0.00312834/step Wall: 1193.47, 0.00312834/step, 4.01227 hours remaining, 234.753906 MB of memory in use. ENERGY: 382800 3924.6770 20587.8905 14471.5306 246.4007 -202869.7485 2739.5676 0.0000 0.0000 51734.3965 -109165.2857 297.3183 -160899.6822 -108800.2593 298.5073 58.0004 74.1245 764288.2786 -10.8385 -10.7095 PRESSURE: 383000 -232.697 -243.572 -256.061 -243.573 -119.818 -82.1868 -256.062 -82.1868 219.823 GPRESSURE: 383000 -165.56 -425.367 -131.323 -320.302 -20.9987 -80.5765 -206.126 -173.899 140.941 PRESSAVG: 383000 -25.5793 22.2555 -30.0497 22.2555 11.9444 -37.8524 -30.0496 -37.8524 -14.1403 GPRESSAVG: 383000 -26.8503 22.3022 -31.1351 21.556 11.5188 -39.0093 -31.6464 -36.3842 -12.1065 TIMING: 383000 CPU: 1194.09, 0.00312988/step Wall: 1194.09, 0.00312988/step, 4.01408 hours remaining, 234.753906 MB of memory in use. ENERGY: 383000 3977.0761 20532.5574 14486.6674 255.2500 -203429.8469 2971.7680 0.0000 0.0000 52259.4197 -108947.1083 300.3356 -161206.5280 -108591.4614 298.5322 -44.2304 -15.2059 763851.5075 -9.2584 -9.1460 PRESSURE: 383200 319.417 -102.066 95.1338 -102.066 -276.48 -116.943 95.1338 -116.943 -479.681 GPRESSURE: 383200 344.529 -46.3601 88.5014 -55.2308 -286.09 -92.1105 155.267 -152.836 -425.339 PRESSAVG: 383200 13.4165 18.9867 -9.95786 18.9867 -12.4358 -15.9609 -9.95787 -15.9609 -14.0054 GPRESSAVG: 383200 13.4483 19.4103 -8.92127 20.3463 -11.1007 -17.4704 -9.0155 -16.0797 -15.0885 TIMING: 383200 CPU: 1194.72, 0.00313302/step Wall: 1194.72, 0.00313302/step, 4.01793 hours remaining, 234.753906 MB of memory in use. ENERGY: 383200 4075.0468 20359.3268 14536.3449 240.5626 -202693.1625 2563.2054 0.0000 0.0000 52131.9058 -108786.7701 299.6028 -160918.6759 -108424.2548 299.5717 -145.5816 -122.3003 765306.6536 -4.3416 -4.2470 PRESSURE: 383400 -66.7157 -22.1125 -122.385 -22.1121 -71.615 -115.533 -122.386 -115.533 -280.505 GPRESSURE: 383400 -68.1234 2.52833 -127.838 -130.131 -156.946 -103.241 -99.3768 -233.479 -124.724 PRESSAVG: 383400 -11.1684 -22.417 25.9779 -22.417 -6.28758 -4.34162 25.9779 -4.34166 8.70026 GPRESSAVG: 383400 -11.6812 -23.4959 24.6919 -20.7646 -7.32174 -2.99586 23.8785 -5.89478 10.0188 TIMING: 383400 CPU: 1195.34, 0.00311387/step Wall: 1195.34, 0.00311387/step, 3.9932 hours remaining, 234.753906 MB of memory in use. ENERGY: 383400 4017.2932 20477.2186 14503.3829 259.2574 -202933.8813 2963.8399 0.0000 0.0000 51796.5690 -108916.3205 297.6756 -160712.8894 -108562.1870 299.2533 -139.6119 -116.5977 765665.5680 -2.9186 -2.9947 PRESSURE: 383600 -215.313 -22.9054 -384.932 -22.9047 24.9996 200.338 -384.932 200.339 -99.9789 GPRESSURE: 383600 -82.0327 -15.7749 -326.714 -10.4985 46.3383 266.219 -247.648 125.662 -180.236 PRESSAVG: 383600 7.62077 5.10688 -3.93764 5.10689 -35.8509 -43.2589 -3.93763 -43.259 20.8649 GPRESSAVG: 383600 8.88465 5.01391 -3.45336 3.37277 -34.1708 -43.7123 -3.77058 -43.589 18.8306 TIMING: 383600 CPU: 1195.96, 0.00311487/step Wall: 1195.96, 0.00311487/step, 3.9943 hours remaining, 234.753906 MB of memory in use. ENERGY: 383600 4031.4286 20374.4854 14445.8948 249.1072 -203192.6891 3058.1390 0.0000 0.0000 52218.6585 -108814.9757 300.1013 -161033.6342 -108451.3147 299.1371 -96.7642 -71.9769 766049.3332 -2.4551 -2.1518 PRESSURE: 383800 5.55443 -15.854 168.963 -15.8536 -384.128 140.27 168.963 140.271 -74.2287 GPRESSURE: 383800 -0.518213 80.6924 189.309 68.9853 -332.366 176.931 161.512 31.3459 -46.3482 PRESSAVG: 383800 6.0897 34.1956 -46.8709 34.1956 -12.0827 -29.0437 -46.8709 -29.0437 4.41776 GPRESSAVG: 383800 5.8599 34.4115 -47.3405 34.384 -13.1397 -29.4988 -47.5989 -26.7636 5.68443 TIMING: 383800 CPU: 1196.59, 0.00313381/step Wall: 1196.59, 0.00313381/step, 4.01841 hours remaining, 234.753906 MB of memory in use. ENERGY: 383800 4019.9196 20606.0004 14558.1926 256.0151 -202725.9611 2757.7703 0.0000 0.0000 51889.4024 -108638.6605 298.2091 -160528.0629 -108287.6063 299.1227 -150.9342 -126.4108 766184.9965 -0.5251 -0.5318 PRESSURE: 384000 -75.3423 -75.0076 40.536 -75.0072 -47.7899 123.841 40.5354 123.841 -230.33 GPRESSURE: 384000 9.36137 56.848 66.0516 29.4586 -114.856 140.123 -62.2893 95.6644 -178.115 PRESSAVG: 384000 -4.89532 -19.1757 27.7376 -19.1758 -11.5687 -30.5764 27.7376 -30.5764 18.4487 GPRESSAVG: 384000 -4.07379 -17.9699 27.4686 -19.7235 -10.2637 -29.8546 29.0719 -31.3554 17.1079 TIMING: 384000 CPU: 1197.22, 0.0031305/step Wall: 1197.22, 0.0031305/step, 4.014 hours remaining, 234.753906 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: 384000 4019.7815 20663.8920 14485.5988 244.8654 -202921.6757 2784.6468 0.0000 0.0000 51989.8403 -108733.0509 298.7863 -160722.8912 -108378.7493 299.4121 -117.8209 -94.5366 765182.9961 0.6615 0.9235 PRESSURE: 384200 159.939 59.275 -114.997 59.2749 189.958 12.5639 -114.997 12.5639 482.518 GPRESSURE: 384200 206.651 124.455 -93.4356 6.22681 159.372 -49.6342 -148.191 54.4949 559.035 PRESSAVG: 384200 26.4335 9.22277 -0.0628543 9.22275 -28.9339 -17.4149 -0.0628178 -17.415 1.09776 GPRESSAVG: 384200 26.0029 8.78142 0.151756 8.97973 -30.0416 -17.9916 -0.986582 -18.0619 2.68693 TIMING: 384200 CPU: 1197.84, 0.00312502/step Wall: 1197.84, 0.00312502/step, 4.0068 hours remaining, 234.753906 MB of memory in use. ENERGY: 384200 3876.5229 20696.0419 14437.3457 257.9413 -203122.5955 2986.4846 0.0000 0.0000 51930.4920 -108937.7671 298.4453 -160868.2590 -108581.0216 300.0425 277.4718 308.3527 764991.7758 -0.4675 -0.4506 LDB: ============= START OF LOAD BALANCING ============== 1210.32 LDB: ============== END OF LOAD BALANCING =============== 1210.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1210.32 LDB: ============= START OF LOAD BALANCING ============== 1210.64 LDB: Largest compute 7052 load 0.031156 is 16.0% of average load 0.194750 LDB: Average compute 0.004388 is 2.3% of average load 0.194750 LDB: TIME 1210.64 LOAD: AVG 0.19475 MAX 0.217023 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.012 MB LDB: TIME 1210.64 LOAD: AVG 0.19475 MAX 0.217023 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.012 MB LDB: TIME 1210.64 LOAD: AVG 0.19475 MAX 0.217023 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.012 MB LDB: ============== END OF LOAD BALANCING =============== 1210.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1210.65 PRESSURE: 384400 241.171 113.356 281.787 113.354 47.9387 -132.503 281.788 -132.502 457.53 GPRESSURE: 384400 177.828 -21.3835 317.273 100.22 165.363 -149.899 138.726 -69.3521 482.303 PRESSAVG: 384400 22.693 52.4047 7.03916 52.4046 -42.1932 1.26632 7.03913 1.26631 2.71434 GPRESSAVG: 384400 22.589 49.8006 5.95997 52.7078 -41.532 0.579484 6.7777 2.9401 2.57032 TIMING: 384400 CPU: 1198.48, 0.00319137/step Wall: 1198.48, 0.00319137/step, 4.0917 hours remaining, 233.527344 MB of memory in use. ENERGY: 384400 3895.5996 20447.2346 14485.3836 230.9223 -203279.1371 3213.7045 0.0000 0.0000 52034.4455 -108971.8470 299.0427 -161006.2925 -108605.1810 299.5474 248.8797 275.1650 764928.1487 -5.5953 -5.4576 PRESSURE: 384600 -189.479 129.463 -100.087 129.463 62.5564 11.2775 -100.087 11.2789 -58.7396 GPRESSURE: 384600 -134.439 64.0765 -46.9457 51.6142 57.8359 35.3187 -119.907 -62.4049 -21.7102 PRESSAVG: 384600 -15.9992 9.98699 -10.7512 9.98697 -3.18575 -40.4678 -10.7512 -40.4677 -29.063 GPRESSAVG: 384600 -16.9284 11.2532 -9.60479 9.30409 -2.81238 -38.158 -11.7947 -43.306 -29.3252 TIMING: 384600 CPU: 1199.11, 0.00312687/step Wall: 1199.11, 0.00312687/step, 4.00883 hours remaining, 233.527344 MB of memory in use. ENERGY: 384600 3979.4085 20509.2879 14505.7226 230.3313 -202956.9846 2796.3332 0.0000 0.0000 51989.2431 -108946.6579 298.7829 -160935.9010 -108574.4734 298.9999 -61.8872 -32.7711 763531.8911 -16.0826 -16.3553 PRESSURE: 384800 -46.4114 -118.573 -50.4892 -118.573 -13.1023 146.194 -50.4896 146.194 -178.034 GPRESSURE: 384800 4.94029 -101.948 -109.848 -98.2904 3.81561 203.137 123.005 198.763 -188.667 PRESSAVG: 384800 -1.03313 -38.1626 -12.9334 -38.1626 26.185 13.6083 -12.9334 13.6082 4.60965 GPRESSAVG: 384800 0.0457161 -37.7901 -11.6647 -38.2971 24.4227 10.9764 -11.5815 15.1625 4.86135 TIMING: 384800 CPU: 1199.73, 0.00312694/step Wall: 1199.73, 0.00312694/step, 4.00874 hours remaining, 233.527344 MB of memory in use. ENERGY: 384800 3971.8321 20492.1147 14438.3016 250.4808 -202627.9814 2630.0203 0.0000 0.0000 52109.6733 -108735.5585 299.4750 -160845.2318 -108378.4030 299.5519 -79.1827 -59.9703 765281.4015 9.9205 9.7766 PRESSURE: 385000 -196.483 -83.9837 220.867 -83.9843 -101.894 -62.73 220.867 -62.7302 28.8472 GPRESSURE: 385000 -192.259 44.9148 271.655 18.2538 -65.6268 -52.9784 159.959 -91.5879 67.0132 PRESSAVG: 385000 16.6822 -22.8815 -5.01919 -22.8815 25.4683 -17.7345 -5.01913 -17.7346 0.206345 GPRESSAVG: 385000 15.9825 -23.0307 -7.42134 -21.79 26.4015 -18.1943 -5.12686 -15.6207 0.165517 TIMING: 385000 CPU: 1200.36, 0.00313077/step Wall: 1200.36, 0.00313077/step, 4.01348 hours remaining, 233.527344 MB of memory in use. ENERGY: 385000 4042.6028 20498.7223 14460.8724 241.4832 -203152.1629 3048.1012 0.0000 0.0000 52195.7529 -108664.6281 299.9697 -160860.3810 -108303.2821 299.4218 -89.8433 -63.6241 764609.6683 14.1189 14.1832 PRESSURE: 385200 276.178 -33.5034 14.4943 -33.504 353.64 356.665 14.4941 356.666 591.875 GPRESSURE: 385200 370.852 19.0535 114.369 -140.81 339.21 360.855 -41.74 215.833 594.677 PRESSAVG: 385200 -58.2787 -47.3951 -37.5535 -47.3951 35.1087 30.0743 -37.5535 30.0743 -12.2877 GPRESSAVG: 385200 -57.7433 -48.8656 -36.4725 -47.5964 34.2385 31.8734 -37.3147 27.8062 -12.6566 TIMING: 385200 CPU: 1200.98, 0.00310729/step Wall: 1200.98, 0.00310729/step, 3.9832 hours remaining, 233.527344 MB of memory in use. ENERGY: 385200 3977.6605 20517.6456 14386.8982 267.6609 -203181.9850 3136.1431 0.0000 0.0000 52361.8177 -108534.1592 300.9241 -160895.9769 -108181.7580 299.8388 407.2308 434.9132 764122.5424 -11.8192 -12.0538 PRESSURE: 385400 -421.056 -154.823 -78.8919 -154.823 -194.115 -224.356 -78.8923 -224.357 41.6697 GPRESSURE: 385400 -356.803 -91.9277 -186.3 -44.421 -177.94 -242.031 5.17619 -181.397 54.0934 PRESSAVG: 385400 -13.5192 -6.2833 -43.7744 -6.28332 40.2154 48.028 -43.7744 48.028 14.32 GPRESSAVG: 385400 -12.5797 -5.85139 -45.3227 -5.21331 39.6806 46.8587 -42.9307 48.9028 14.7041 TIMING: 385400 CPU: 1201.61, 0.00313515/step Wall: 1201.61, 0.00313515/step, 4.01874 hours remaining, 233.527344 MB of memory in use. ENERGY: 385400 3985.2321 20649.0074 14479.7520 252.7490 -202689.8556 2724.6349 0.0000 0.0000 52092.8662 -108505.6139 299.3784 -160598.4802 -108146.7034 300.0249 -191.1671 -160.2166 766765.3654 13.6721 13.9350 PRESSURE: 385600 310.262 99.2937 -189.472 99.2936 -10.4778 -79.1982 -189.473 -79.1991 244.512 GPRESSURE: 385600 344.743 135.889 -285.156 70.4263 -5.91834 -78.2987 -1.38996 -22.1935 289.97 PRESSAVG: 385600 -22.1699 -1.33624 -28.1379 -1.33613 19.2433 31.1341 -28.1379 31.1341 -20.5493 GPRESSAVG: 385600 -23.4882 -0.947973 -28.4662 0.262147 19.4273 30.7552 -28.546 30.7352 -19.9465 TIMING: 385600 CPU: 1202.23, 0.00312781/step Wall: 1202.23, 0.00312781/step, 4.00916 hours remaining, 233.527344 MB of memory in use. ENERGY: 385600 4038.7538 20611.6600 14400.3193 249.0774 -202701.7069 2765.2541 0.0000 0.0000 52215.4110 -108421.2313 300.0827 -160636.6423 -108060.6375 300.5380 181.4321 209.5981 764304.9646 -7.8253 -8.0025 PRESSURE: 385800 283.496 130.692 -176.265 130.692 54.8621 -15.0804 -176.265 -15.0799 383.982 GPRESSURE: 385800 332.036 108.849 -209.63 110.884 32.4644 -122.536 -111.107 -94.007 445.639 PRESSAVG: 385800 22.1659 -34.181 -56.6516 -34.1811 26.7642 -3.46822 -56.6517 -3.46824 -17.5486 GPRESSAVG: 385800 22.5577 -36.7099 -54.0274 -34.927 27.4125 -2.93453 -57.8817 -3.96523 -17.7463 TIMING: 385800 CPU: 1202.85, 0.00311844/step Wall: 1202.85, 0.00311844/step, 3.99697 hours remaining, 233.527344 MB of memory in use. ENERGY: 385800 3992.9907 20406.2915 14469.8588 237.5162 -202857.5389 3100.2331 0.0000 0.0000 52084.0571 -108566.5915 299.3278 -160650.6487 -108206.8384 300.4645 240.7798 270.0465 765266.0026 10.4605 10.7413 PRESSURE: 386000 -136.398 -78.1308 65.1416 -78.1301 -238.475 -150.924 65.1429 -150.924 53.8638 GPRESSURE: 386000 -147.707 -13.5516 31.8007 -30.1675 -177.726 -93.8569 72.1708 -128.735 83.4972 PRESSAVG: 386000 45.0261 -28.2048 -13.2247 -28.2049 -24.4167 -17.0684 -13.2247 -17.0685 22.0301 GPRESSAVG: 386000 45.0122 -26.7661 -14.5067 -29.3664 -24.4251 -16.1385 -11.1136 -15.2693 22.5902 TIMING: 386000 CPU: 1203.48, 0.00311488/step Wall: 1203.48, 0.00311488/step, 3.99224 hours remaining, 233.527344 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: 386000 3976.8309 20420.4837 14487.7396 257.5949 -202597.8092 2772.0702 0.0000 0.0000 52060.7862 -108622.3037 299.1941 -160683.0899 -108260.8992 299.6396 -107.0033 -80.6450 766520.2502 14.2132 14.3924 PRESSURE: 386200 -60.7286 -87.9537 -87.668 -87.9547 -89.8727 112.616 -87.6666 112.617 13.3945 GPRESSURE: 386200 -8.30559 -7.11158 -24.2447 -10.399 -74.1458 47.2843 -51.2148 57.2537 31.5804 PRESSAVG: 386200 8.07494 3.88319 7.10413 3.88318 9.51772 -36.1119 7.10419 -36.1118 20.7597 GPRESSAVG: 386200 8.6571 5.26601 7.45795 4.11504 9.20913 -36.2353 5.73346 -38.7362 20.0996 TIMING: 386200 CPU: 1204.1, 0.00312891/step Wall: 1204.1, 0.00312891/step, 4.01004 hours remaining, 233.527344 MB of memory in use. ENERGY: 386200 4057.4739 20465.2094 14476.1918 243.8211 -202894.3624 3081.6908 0.0000 0.0000 51993.8274 -108576.1479 298.8092 -160569.9752 -108223.3107 299.1832 -45.7356 -16.9570 766146.2458 12.7841 12.6553 PRESSURE: 386400 84.1989 -123.332 -140.132 -123.332 321.704 -52.2536 -140.132 -52.2536 -101.45 GPRESSURE: 386400 163.251 -22.3857 -256.24 -141.68 258.427 2.24482 -77.5672 -78.1414 -28.7684 PRESSAVG: 386400 12.6534 10.3024 6.23062 10.3023 6.17119 -46.3866 6.23062 -46.3866 6.58854 GPRESSAVG: 386400 12.8523 10.2592 5.66151 10.8436 5.7563 -45.4127 7.62163 -44.8648 7.03811 TIMING: 386400 CPU: 1204.73, 0.00311999/step Wall: 1204.73, 0.00311999/step, 3.99845 hours remaining, 233.527344 MB of memory in use. ENERGY: 386400 3963.2476 20634.5626 14458.5666 262.2088 -202711.8883 3020.6335 0.0000 0.0000 51920.8674 -108451.8018 298.3899 -160372.6692 -108091.3479 299.0482 101.4844 130.9696 765450.3187 8.4711 8.5489 PRESSURE: 386600 237.641 -9.92376 -164.821 -9.92346 -105.265 7.86126 -164.822 7.86159 342.302 GPRESSURE: 386600 177.436 8.35472 -90.6678 -38.4079 -69.7775 145.813 -100.494 -26.4967 422.221 PRESSAVG: 386600 35.5199 -2.15734 -49.4088 -2.15737 -50.3586 -3.62714 -49.4087 -3.62717 -7.13427 GPRESSAVG: 386600 34.5752 -3.1646 -48.9451 -3.51902 -49.9852 -3.63892 -50.908 -3.19397 -7.66788 TIMING: 386600 CPU: 1205.35, 0.00311808/step Wall: 1205.35, 0.00311808/step, 3.99582 hours remaining, 233.527344 MB of memory in use. ENERGY: 386600 3947.2142 20618.8045 14489.0626 248.0774 -202874.9512 3035.4392 0.0000 0.0000 52196.3584 -108339.9949 299.9732 -160536.3533 -107981.3292 299.3063 158.2259 176.6264 765448.7550 -7.3243 -7.6926 PRESSURE: 386800 385.685 1.58719 -50.902 1.58685 14.0348 97.7835 -50.9035 97.7845 107.566 GPRESSURE: 386800 469.346 55.5852 -60.1851 -27.8368 55.3055 122.834 -103.193 143.974 63.533 PRESSAVG: 386800 44.3326 29.4639 -12.396 29.4639 -86.0994 -31.6728 -12.396 -31.6729 8.18862 GPRESSAVG: 386800 45.5938 29.7317 -12.8627 29.9081 -87.5152 -32.5391 -12.5935 -31.1414 8.08194 TIMING: 386800 CPU: 1205.97, 0.00311084/step Wall: 1205.97, 0.00311084/step, 3.98636 hours remaining, 233.527344 MB of memory in use. ENERGY: 386800 4025.9821 20580.6083 14526.2508 238.2856 -202967.8676 2996.0729 0.0000 0.0000 52184.2264 -108416.4414 299.9035 -160600.6679 -108060.5493 299.7236 169.0951 196.0614 763611.0289 -11.1927 -11.2798 PRESSURE: 387000 351.366 -267.497 -73.9092 -267.498 25.3159 -193.589 -73.9099 -193.589 99.7336 GPRESSURE: 387000 346.842 -286.607 -95.1922 -90.5335 103.794 -183.724 -37.9371 -152.856 117.255 PRESSAVG: 387000 13.0135 32.7443 -51.1432 32.7443 -53.3644 -11.8517 -51.1431 -11.8517 -17.7468 GPRESSAVG: 387000 12.503 32.4092 -50.572 34.5682 -52.4063 -12.4304 -49.6499 -13.2653 -18.2705 TIMING: 387000 CPU: 1206.6, 0.00310925/step Wall: 1206.6, 0.00310925/step, 3.98416 hours remaining, 233.527344 MB of memory in use. ENERGY: 387000 4082.6892 20542.7815 14423.7717 252.5884 -203133.4717 2877.5677 0.0000 0.0000 52291.8816 -108662.1917 300.5222 -160954.0733 -108304.2636 299.9285 158.8053 189.2970 764212.4365 -19.3659 -19.3913 PRESSURE: 387200 186.942 -118.883 101.626 -118.883 -56.5285 -129.633 101.625 -129.632 354.651 GPRESSURE: 387200 216.466 -197.846 106.328 -72.1036 -43.6809 -105.451 138.501 -169.485 403.723 PRESSAVG: 387200 -5.51058 -24.8652 9.6544 -24.8652 19.2212 -11.5537 9.65431 -11.5537 24.4592 GPRESSAVG: 387200 -5.74842 -24.5987 9.62117 -26.4372 19.3437 -12.0335 8.31218 -11.3421 24.6067 TIMING: 387200 CPU: 1207.22, 0.00312966/step Wall: 1207.22, 0.00312966/step, 4.01014 hours remaining, 233.527344 MB of memory in use. ENERGY: 387200 3964.1146 20571.2534 14490.7321 245.1619 -202994.5633 3037.1869 0.0000 0.0000 51910.5964 -108775.5180 298.3309 -160686.1144 -108410.9160 299.7224 161.6881 192.1694 764918.2727 12.7233 12.7340 PRESSURE: 387400 207.751 -7.3468 -26.8852 -7.34606 -20.7825 -117.224 -26.8848 -117.223 199.287 GPRESSURE: 387400 205.971 99.8109 99.059 -85.6428 72.5942 -153.08 -186.39 -114.452 200.169 PRESSAVG: 387400 2.95633 -4.74812 26.7394 -4.74809 -19.3806 -41.9855 26.7395 -41.9855 -9.44466 GPRESSAVG: 387400 2.73809 -2.46493 26.1982 -5.26022 -18.9154 -40.4393 28.1294 -40.4714 -9.45908 TIMING: 387400 CPU: 1207.84, 0.00311677/step Wall: 1207.84, 0.00311677/step, 3.99345 hours remaining, 233.527344 MB of memory in use. ENERGY: 387400 4121.4460 20543.3529 14398.9748 222.7126 -203607.5080 3267.6250 0.0000 0.0000 52205.7546 -108847.6420 300.0272 -161053.3967 -108485.5260 299.4561 128.7518 159.5780 762401.8974 -8.6230 -8.5455 PRESSURE: 387600 -324.823 35.3745 -13.419 35.3746 -33.431 132.397 -13.4187 132.398 30.7678 GPRESSURE: 387600 -172.818 -34.6608 88.0065 21.3515 -32.1171 116.268 -106.673 77.3366 -31.2307 PRESSAVG: 387600 30.6515 -0.771656 53.7506 -0.771528 3.35172 -4.88271 53.7506 -4.88263 -10.2361 GPRESSAVG: 387600 30.9606 -3.16723 54.4608 -0.619255 2.83175 -4.80206 52.5268 -9.30657 -9.68554 TIMING: 387600 CPU: 1208.47, 0.00312235/step Wall: 1208.47, 0.00312235/step, 4.00042 hours remaining, 233.527344 MB of memory in use. ENERGY: 387600 4072.9946 20670.6537 14491.5942 244.3453 -203069.0453 2789.6267 0.0000 0.0000 52058.7711 -108741.0597 299.1825 -160799.8308 -108382.8098 299.8460 -109.1622 -78.7220 764349.1276 7.9224 8.0356 PRESSURE: 387800 112.446 -147.459 -222.236 -147.459 -5.1743 -128.391 -222.235 -128.391 159.751 GPRESSURE: 387800 74.5768 -123.539 -246.808 -35.7505 69.9263 -74.2612 6.81338 -73.1099 210.715 PRESSAVG: 387800 18.075 -18.4327 -10.0468 -18.4328 41.2813 -5.12994 -10.0467 -5.12995 -6.75067 GPRESSAVG: 387800 19.1987 -17.2452 -10.28 -17.2631 41.4993 -5.85166 -9.41735 -0.567581 -8.32231 TIMING: 387800 CPU: 1209.09, 0.00312508/step Wall: 1209.09, 0.00312508/step, 4.00375 hours remaining, 233.527344 MB of memory in use. ENERGY: 387800 3984.8008 20608.1458 14480.2708 250.6825 -202908.9685 2630.2622 0.0000 0.0000 52356.7694 -108598.0370 300.8951 -160954.8065 -108227.8652 299.9322 89.0075 118.4061 763131.6982 17.5352 17.4586 PRESSURE: 388000 19.2019 64.6148 -68.2575 64.6154 -211.876 -17.0427 -68.2577 -17.0438 -52.066 GPRESSURE: 388000 15.4149 45.4613 -130.777 -42.1039 -200.665 86.7969 -84.8114 -128.692 7.80966 PRESSAVG: 388000 -17.1059 21.2556 -23.9859 21.2556 60.9741 11.9182 -23.9859 11.9181 -25.7272 GPRESSAVG: 388000 -17.9799 20.1996 -24.297 21.1304 62.0803 14.0106 -23.9208 8.81466 -25.8557 TIMING: 388000 CPU: 1209.72, 0.00312735/step Wall: 1209.72, 0.00312735/step, 4.00648 hours remaining, 233.527344 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: 388000 3993.5699 20442.5919 14438.2660 251.8827 -203103.9950 2939.3765 0.0000 0.0000 52297.7373 -108740.5707 300.5558 -161038.3080 -108366.0773 299.9037 -81.5800 -59.1468 765545.6490 6.0470 6.0816 PRESSURE: 388200 220.705 -39.4219 24.5674 -39.422 240.237 238.988 24.5686 238.989 -134.271 GPRESSURE: 388200 256.247 -38.015 -73.8568 12.2469 226.947 164.95 69.589 193.138 -72.4704 PRESSAVG: 388200 -2.149 7.708 -59.9924 7.708 -60.3963 14.8697 -59.9924 14.8696 7.15409 GPRESSAVG: 388200 -4.5128 8.74609 -60.3295 6.6955 -58.9666 10.5375 -60.7634 17.4923 8.57626 TIMING: 388200 CPU: 1210.34, 0.0031184/step Wall: 1210.34, 0.0031184/step, 3.99485 hours remaining, 233.527344 MB of memory in use. ENERGY: 388200 3956.8660 20514.7750 14519.9585 260.3164 -203285.4685 2988.1212 0.0000 0.0000 52190.7013 -108854.7301 299.9407 -161045.4315 -108486.9428 299.1488 108.8904 136.9079 764471.0355 -18.4638 -18.3010 LDB: ============= START OF LOAD BALANCING ============== 1222.82 LDB: ============== END OF LOAD BALANCING =============== 1222.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1222.82 LDB: ============= START OF LOAD BALANCING ============== 1223.14 LDB: Largest compute 7052 load 0.031923 is 16.4% of average load 0.194765 LDB: Average compute 0.004385 is 2.3% of average load 0.194765 LDB: TIME 1223.14 LOAD: AVG 0.194765 MAX 0.215562 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.07 MB LDB: TIME 1223.14 LOAD: AVG 0.194765 MAX 0.215562 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.113 MB LDB: TIME 1223.14 LOAD: AVG 0.194765 MAX 0.215562 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.113 MB LDB: ============== END OF LOAD BALANCING =============== 1223.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1223.15 PRESSURE: 388400 -449.009 218.858 217.852 218.859 -206.375 117.251 217.852 117.251 -439.493 GPRESSURE: 388400 -473.306 65.779 155.276 219.951 -63.5055 100.787 214.083 55.883 -478.546 PRESSAVG: 388400 -10.1444 12.6701 -31.7296 12.6702 31.0451 34.5685 -31.7296 34.5686 0.171417 GPRESSAVG: 388400 -9.40286 11.1702 -30.6391 13.1061 31.9547 35.1839 -32.4339 33.2379 -0.937557 TIMING: 388400 CPU: 1210.98, 0.00318906/step Wall: 1210.98, 0.00318906/step, 4.08519 hours remaining, 234.500000 MB of memory in use. ENERGY: 388400 3969.7734 20725.1806 14370.7026 259.0833 -202681.7105 2329.8520 0.0000 0.0000 51891.6567 -109135.4619 298.2221 -161027.1186 -108770.6309 299.4115 -364.9588 -338.4526 765684.1548 7.0241 7.2047 PRESSURE: 388600 -359.451 -108.747 129.743 -108.748 313.233 -81.3438 129.743 -81.3438 -80.7378 GPRESSURE: 388600 -191.157 3.59084 153.741 -115.034 302.726 -133.131 208.867 66.2005 -156.585 PRESSAVG: 388600 -18.1152 13.8656 -43.6565 13.8656 -20.0244 11.2204 -43.6564 11.2204 -22.331 GPRESSAVG: 388600 -15.9244 16.0108 -43.7799 11.5115 -22.534 12.7495 -41.9281 10.9527 -22.0304 TIMING: 388600 CPU: 1211.6, 0.00311191/step Wall: 1211.6, 0.00311191/step, 3.98619 hours remaining, 234.500000 MB of memory in use. ENERGY: 388600 3967.3041 20472.6220 14529.0702 248.0611 -203529.4300 2911.1153 0.0000 0.0000 52038.8109 -109362.4464 299.0678 -161401.2574 -108998.9315 298.6666 -42.3183 -15.0054 762959.1431 -20.1569 -20.1629 PRESSURE: 388800 667.232 -151.455 277.899 -151.454 79.8557 -27.6154 277.899 -27.6157 138.398 GPRESSURE: 388800 584.691 -147.134 244.892 -19.7224 241.729 -21.4137 190.143 -77.6901 165.713 PRESSAVG: 388800 -18.9819 5.30439 4.22411 5.30436 18.3968 26.3393 4.22412 26.3393 -30.4431 GPRESSAVG: 388800 -19.7887 3.27213 4.49763 8.43338 18.5496 24.9797 1.71195 26.5145 -28.6628 TIMING: 388800 CPU: 1212.23, 0.00311363/step Wall: 1212.23, 0.00311363/step, 3.98821 hours remaining, 234.500000 MB of memory in use. ENERGY: 388800 4028.7392 20500.8178 14484.3474 266.7315 -203801.8476 3274.5037 0.0000 0.0000 52119.8787 -109126.8293 299.5337 -161246.7080 -108765.5496 298.9117 295.1621 330.7113 761596.7650 -10.3427 -9.9673 PRESSURE: 389000 98.0828 -168.587 -77.4136 -168.586 -69.0611 115.479 -77.4131 115.48 -77.3498 GPRESSURE: 389000 190.655 73.3494 3.58543 -44.7576 -86.1436 100.288 -222.812 42.8046 -78.3306 PRESSAVG: 389000 12.3015 32.0478 -18.4298 32.0479 -20.4998 -12.2801 -18.4299 -12.28 0.48682 GPRESSAVG: 389000 12.1938 35.0374 -19.1496 32.3324 -18.9686 -11.7578 -17.4948 -10.7554 -1.20891 TIMING: 389000 CPU: 1212.85, 0.00310355/step Wall: 1212.85, 0.00310355/step, 3.97512 hours remaining, 234.500000 MB of memory in use. ENERGY: 389000 4098.8411 20608.7696 14461.6199 242.5467 -203363.9146 2797.7362 0.0000 0.0000 51966.2235 -109188.1776 298.6506 -161154.4011 -108831.5635 298.7287 -16.1094 8.7270 763358.3407 -2.5705 -2.6612 PRESSURE: 389200 32.652 131.849 160.677 131.849 181.685 -71.3402 160.676 -71.3404 386.124 GPRESSURE: 389200 144.907 108.836 129.149 30.2349 169.125 -59.5989 244.231 -113.17 359.839 PRESSAVG: 389200 -15.8194 -2.8591 46.182 -2.85905 12.187 -12.8687 46.1819 -12.8687 14.317 GPRESSAVG: 389200 -15.9116 -4.73836 45.1582 -5.00684 11.1213 -12.1058 48.5491 -15.364 15.1068 TIMING: 389200 CPU: 1213.47, 0.00309889/step Wall: 1213.47, 0.00309889/step, 3.96899 hours remaining, 234.500000 MB of memory in use. ENERGY: 389200 3992.5834 20520.1046 14377.4776 247.3138 -203570.1769 2986.3869 0.0000 0.0000 52119.8979 -109326.4128 299.5338 -161446.3107 -108967.5912 298.8516 200.1534 224.6239 763780.0046 3.5615 3.4388 PRESSURE: 389400 -191.078 123.415 -135.368 123.416 -50.3361 122.104 -135.368 122.103 -27.2599 GPRESSURE: 389400 -81.1183 53.2395 -146 95.986 -92.4948 92.1687 -158.043 106.416 -14.9342 PRESSAVG: 389400 7.32985 43.9896 -3.47068 43.9897 -7.57092 10.2194 -3.47071 10.2193 -8.50883 GPRESSAVG: 389400 8.33249 43.2766 -1.80989 44.586 -6.99103 8.47736 -4.33909 11.5536 -9.99217 TIMING: 389400 CPU: 1214.09, 0.00310641/step Wall: 1214.09, 0.00310641/step, 3.97845 hours remaining, 234.500000 MB of memory in use. ENERGY: 389400 4050.0376 20636.4674 14497.1213 234.2157 -203274.4731 2876.9434 0.0000 0.0000 52110.4473 -108869.2404 299.4795 -160979.6877 -108495.8554 299.3397 -89.5579 -62.8491 765103.8859 -2.9166 -2.8836 PRESSURE: 389600 142.577 -212.798 -55.6312 -212.798 265.265 -160.665 -55.6314 -160.665 34.49 GPRESSURE: 389600 125.885 -105.321 59.9458 -128.728 348.014 -217.764 -112.451 -45.4492 60.2553 PRESSAVG: 389600 -5.91525 -19.9675 -10.3252 -19.9675 0.628079 -46.4745 -10.3252 -46.4745 2.60505 GPRESSAVG: 389600 -7.33687 -19.4734 -10.5015 -19.6725 0.254142 -45.8882 -10.4034 -45.9308 4.34175 TIMING: 389600 CPU: 1214.71, 0.00312489/step Wall: 1214.71, 0.00312489/step, 4.00194 hours remaining, 234.500000 MB of memory in use. ENERGY: 389600 4015.2180 20773.9389 14411.3324 253.6501 -203431.3713 3170.7663 0.0000 0.0000 51879.8679 -108926.5975 298.1543 -160806.4655 -108568.0120 299.3138 147.4443 178.0514 763217.5381 -0.8940 -0.9137 PRESSURE: 389800 50.3072 115.87 34.8007 115.87 185.226 -117.606 34.801 -117.605 -106.191 GPRESSURE: 389800 64.8764 112.088 -4.4162 63.9168 212.624 -104.863 135.263 -83.9646 -76.8766 PRESSAVG: 389800 -23.9547 19.5664 21.8738 19.5664 -43.8781 -61.5777 21.8739 -61.5777 2.58536 GPRESSAVG: 389800 -24.2578 22.512 21.0201 18.3874 -42.3315 -60.9108 21.4479 -62.6 1.44956 TIMING: 389800 CPU: 1215.34, 0.0031124/step Wall: 1215.34, 0.0031124/step, 3.98577 hours remaining, 234.500000 MB of memory in use. ENERGY: 389800 3946.8552 20694.5929 14483.8349 241.1794 -203417.1831 2857.6507 0.0000 0.0000 52165.0504 -109028.0196 299.7933 -161193.0700 -108659.9709 299.4898 43.1140 66.8746 764931.6901 -21.7492 -21.7132 PRESSURE: 390000 -15.3574 24.8304 -48.0956 24.8305 166.785 220.805 -48.0952 220.806 -586.249 GPRESSURE: 390000 -46.8299 -6.58793 -43.816 62.1125 192.873 152.85 -8.38601 107.177 -497.027 PRESSAVG: 390000 2.38587 15.8156 26.5357 15.8156 -31.028 25.7539 26.5357 25.7539 3.01581 GPRESSAVG: 390000 2.1815 14.695 25.779 17.5861 -31.3055 26.5206 24.8478 26.7749 2.90728 TIMING: 390000 CPU: 1215.96, 0.00313152/step Wall: 1215.96, 0.00313153/step, 4.01009 hours remaining, 234.500000 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: 390000 4032.4637 20568.7624 14415.3227 258.5480 -203416.2071 2975.3452 0.0000 0.0000 52106.7265 -109059.0385 299.4581 -161165.7650 -108693.0458 299.5344 -144.9405 -116.9945 764022.7036 -8.5421 -8.7389 PRESSURE: 390200 -51.3215 -187.163 99.9459 -187.162 -250.976 -257.318 99.9447 -257.318 -207.227 GPRESSURE: 390200 -58.4188 -167.266 24.7921 -233.392 -139.377 -217.253 -9.4106 -324.082 -222.669 PRESSAVG: 390200 30.6927 39.1696 -15.813 39.1696 -70.3466 -11.787 -15.8131 -11.787 6.22826 GPRESSAVG: 390200 32.3157 38.1877 -15.8046 37.9505 -71.4715 -12.9982 -14.5653 -12.3047 5.98332 TIMING: 390200 CPU: 1216.58, 0.00311218/step Wall: 1216.58, 0.00311218/step, 3.98515 hours remaining, 234.500000 MB of memory in use. ENERGY: 390200 4062.3445 20704.8675 14481.8505 233.4514 -203664.0482 3088.0439 0.0000 0.0000 52182.3952 -108911.0952 299.8929 -161093.4903 -108552.9840 299.8427 -169.8415 -140.1549 762588.2950 -11.1419 -11.0575 PRESSURE: 390400 -236.407 134.424 119 134.424 106.21 158.116 119 158.117 -109.227 GPRESSURE: 390400 -236.562 109.848 166.475 47.8244 191.129 114.987 152.139 199.301 -117.729 PRESSAVG: 390400 15.1749 -10.5012 -35.0651 -10.5011 -25.1511 -45.343 -35.0652 -45.343 -20.6184 GPRESSAVG: 390400 14.0773 -10.5256 -32.1223 -9.49517 -26.1223 -44.3838 -35.5009 -46.2598 -18.6001 TIMING: 390400 CPU: 1217.2, 0.0031023/step Wall: 1217.2, 0.0031023/step, 3.97233 hours remaining, 234.500000 MB of memory in use. ENERGY: 390400 4068.9033 20600.5808 14424.3544 228.5957 -203005.5518 2892.6844 0.0000 0.0000 52199.9716 -108590.4616 299.9940 -160790.4332 -108222.0711 300.2830 -79.8079 -54.3876 765810.6943 -10.1982 -10.2150 PRESSURE: 390600 -101.754 98.3044 -12.1566 98.3036 32.2832 7.6537 -12.1559 7.65361 395.894 GPRESSURE: 390600 36.0154 12.5983 51.9273 -59.4724 -27.6741 77.6336 36.7003 142.261 397.345 PRESSAVG: 390600 -20.9515 39.7456 15.4326 39.7456 10.196 -32.494 15.4326 -32.494 19.1343 GPRESSAVG: 390600 -20.2777 38.7415 12.975 38.9417 10.748 -32.2825 16.0293 -32.1191 18.2509 TIMING: 390600 CPU: 1217.83, 0.00312255/step Wall: 1217.83, 0.00312255/step, 3.99808 hours remaining, 234.500000 MB of memory in use. ENERGY: 390600 4011.3095 20603.6225 14531.4134 239.9329 -203587.9759 3272.4358 0.0000 0.0000 52226.4243 -108702.8374 300.1460 -160929.2617 -108335.4861 300.2056 108.8078 135.2289 765129.6559 2.7929 2.9071 PRESSURE: 390800 -90.7585 -92.6926 -61.3723 -92.6927 100.252 -125.539 -61.3725 -125.538 186.8 GPRESSURE: 390800 -71.4925 -64.7798 -51.9499 -50.4735 136.026 -117.551 -120.34 -203.731 207.507 PRESSAVG: 390800 -23.2281 52.5824 6.05063 52.5824 14.828 55.4317 6.05056 55.4317 4.34334 GPRESSAVG: 390800 -23.1767 53.5387 6.73746 53.037 13.9214 56.0671 5.55024 56.1195 5.10301 TIMING: 390800 CPU: 1218.45, 0.003113/step Wall: 1218.45, 0.003113/step, 3.98568 hours remaining, 234.500000 MB of memory in use. ENERGY: 390800 4001.4153 20582.2268 14452.5255 233.8522 -203505.9238 3092.4601 0.0000 0.0000 52347.4351 -108796.0088 300.8414 -161143.4439 -108435.4984 299.6515 65.4310 90.6801 763745.3385 -1.3522 -1.3841 PRESSURE: 391000 21.7497 45.4695 182.79 45.4691 30.544 139.588 182.791 139.587 -302.665 GPRESSURE: 391000 128.095 61.5004 94.4104 -29.3488 33.8088 177.018 159.412 58.211 -335.117 PRESSAVG: 391000 62.856 45.6351 16.8763 45.6352 2.15858 27.4623 16.8762 27.4623 -14.8963 GPRESSAVG: 391000 62.2941 45.0779 16.6998 45.322 3.13609 24.2203 16.985 28.5817 -14.8489 TIMING: 391000 CPU: 1219.08, 0.00313128/step Wall: 1219.08, 0.00313128/step, 4.00891 hours remaining, 234.500000 MB of memory in use. ENERGY: 391000 4018.0921 20678.0870 14491.1954 247.6824 -203034.3338 2641.9104 0.0000 0.0000 52149.3712 -108807.9952 299.7032 -160957.3664 -108447.6909 299.8258 -83.4570 -57.7377 765130.9740 16.7061 16.8604 PRESSURE: 391200 -130.294 -64.128 -168.475 -64.1282 -266.34 -122.572 -168.475 -122.573 -430.363 GPRESSURE: 391200 -115.399 -142.047 -150.475 -31.2369 -233.242 -104.144 -217.217 -54.7034 -394.717 PRESSAVG: 391200 56.9914 37.6906 -11.8448 37.6905 -45.3873 3.00661 -11.8448 3.00659 13.9565 GPRESSAVG: 391200 57.3288 37.3546 -11.0786 35.5871 -44.3124 4.89906 -13.2612 1.41357 12.7849 TIMING: 391200 CPU: 1219.7, 0.00312749/step Wall: 1219.7, 0.00312749/step, 4.00388 hours remaining, 234.500000 MB of memory in use. ENERGY: 391200 3984.6400 20658.5025 14486.2021 252.5091 -202915.8378 2385.1333 0.0000 0.0000 52163.4992 -108985.3516 299.7843 -161148.8508 -108615.3563 299.2815 -275.6654 -247.7862 765799.3310 8.5202 8.6005 PRESSURE: 391400 154.187 -99.4173 -133.937 -99.4176 -336.496 250.507 -133.936 250.507 -2.81576 GPRESSURE: 391400 122.365 -96.8747 -65.8504 -98.7006 -311.295 177.263 -95.9795 255.849 74.8008 PRESSAVG: 391400 35.1191 -36.5911 -6.99194 -36.5911 -14.9922 -25.6431 -6.99194 -25.6432 -22.8665 GPRESSAVG: 391400 36.0067 -36.7427 -7.28354 -35.5638 -16.3385 -26.8297 -7.85953 -26.0858 -22.3494 TIMING: 391400 CPU: 1220.33, 0.00311805/step Wall: 1220.33, 0.00311805/step, 3.99162 hours remaining, 234.500000 MB of memory in use. ENERGY: 391400 4014.5699 20540.3551 14420.9471 244.0158 -203215.4948 2788.2318 0.0000 0.0000 52089.7513 -109117.6239 299.3605 -161207.3752 -108750.5558 299.1382 -61.7084 -38.0431 764129.4938 -0.9132 -0.8937 PRESSURE: 391600 -126.262 -9.9606 -72.9879 -9.96102 -270.46 -67.3881 -72.9885 -67.3874 94.0611 GPRESSURE: 391600 -56.4438 35.6464 -35.9455 -1.37186 -246.842 -43.2548 -48.6828 -225.63 68.2006 PRESSAVG: 391600 9.94346 6.53835 -0.283388 6.53835 17.8227 86.2492 -0.283459 86.2492 19.6243 GPRESSAVG: 391600 9.05264 5.73954 -2.12232 7.76676 18.1795 87.663 3.05042 84.9813 19.8576 TIMING: 391600 CPU: 1220.95, 0.00312345/step Wall: 1220.95, 0.00312345/step, 3.99836 hours remaining, 234.500000 MB of memory in use. ENERGY: 391600 3998.2788 20694.4919 14444.2214 252.0304 -203262.3845 2924.1104 0.0000 0.0000 52028.6918 -108920.5599 299.0096 -160949.2516 -108565.9276 299.2116 -100.8870 -78.3617 762986.9048 15.7968 15.6966 PRESSURE: 391800 -73.9479 -223.422 -94.5343 -223.422 9.56196 -238.297 -94.5344 -238.297 8.81893 GPRESSURE: 391800 88.5751 -173.672 -168.845 -165.059 -62.5471 -316.098 -72.8307 -144.042 -1.11025 PRESSAVG: 391800 -24.1408 -1.02091 -4.2959 -1.02091 14.6156 56.4465 -4.2959 56.4464 7.74041 GPRESSAVG: 391800 -23.6379 0.862513 -3.14883 -1.42721 14.6012 56.6403 -4.51529 56.8671 6.59579 TIMING: 391800 CPU: 1221.57, 0.00311568/step Wall: 1221.57, 0.00311568/step, 3.98824 hours remaining, 234.500000 MB of memory in use. ENERGY: 391800 3989.2990 20436.2028 14483.9299 239.5291 -202999.1027 2832.8039 0.0000 0.0000 52022.4050 -108994.9330 298.9735 -161017.3380 -108642.8851 298.9970 -18.5223 8.3059 763946.5057 -0.5949 -0.8136 PRESSURE: 392000 123.63 -79.2005 -8.12151 -79.2009 -104.225 42.65 -8.12163 42.6503 -277.564 GPRESSURE: 392000 174.38 -59.0843 27.5446 -103.381 -71.0922 -5.30856 51.828 5.90336 -291.221 PRESSAVG: 392000 -6.61656 -13.8258 -18.4415 -13.8258 -0.884088 15.1294 -18.4415 15.1294 4.13425 GPRESSAVG: 392000 -5.95484 -13.6244 -18.5659 -14.0443 -2.67371 14.0935 -19.4056 15.3585 5.36429 TIMING: 392000 CPU: 1222.2, 0.00314057/step Wall: 1222.2, 0.00314057/step, 4.01993 hours remaining, 234.500000 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: 392000 3940.6021 20420.1193 14404.6223 252.6720 -202770.0332 2666.6732 0.0000 0.0000 51897.4363 -109187.9079 298.2553 -161085.3442 -108826.2643 298.7066 -86.0530 -62.6446 765797.4715 -1.1221 -1.0881 PRESSURE: 392200 -285.962 112.803 258.696 112.803 3.94204 -23.1246 258.696 -23.1243 -325.922 GPRESSURE: 392200 -187.958 -55.2046 171.872 199.334 -19.4931 -43.0195 178.044 62.0507 -333.315 PRESSAVG: 392200 -9.27462 17.8143 -12.8315 17.8143 -2.3859 52.1857 -12.8316 52.1857 -18.8197 GPRESSAVG: 392200 -10.037 15.1512 -13.5994 20.4352 -1.42082 52.2275 -11.9656 50.3564 -18.6762 TIMING: 392200 CPU: 1222.83, 0.00312876/step Wall: 1222.83, 0.00312876/step, 4.00464 hours remaining, 234.500000 MB of memory in use. ENERGY: 392200 3977.0934 20531.6610 14379.2889 252.9541 -202777.3809 2558.1727 0.0000 0.0000 51862.0588 -109216.1519 298.0520 -161078.2107 -108850.3780 298.1989 -202.6474 -180.2552 765624.1650 -10.1601 -10.0447 LDB: ============= START OF LOAD BALANCING ============== 1235.31 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1235.31 LDB: =============== DONE WITH MIGRATION ================ 1235.31 LDB: ============= START OF LOAD BALANCING ============== 1235.62 LDB: Largest compute 7052 load 0.029428 is 15.1% of average load 0.194930 LDB: Average compute 0.004378 is 2.2% of average load 0.194930 LDB: TIME 1235.63 LOAD: AVG 0.19493 MAX 0.214441 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.816 MB LDB: TIME 1235.63 LOAD: AVG 0.19493 MAX 0.214441 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.016 MB LDB: TIME 1235.63 LOAD: AVG 0.19493 MAX 0.214441 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.016 MB LDB: ============== END OF LOAD BALANCING =============== 1235.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1235.63 PRESSURE: 392400 441.07 64.1876 -23.3788 64.1872 -184.742 22.476 -23.3787 22.4762 135.547 GPRESSURE: 392400 365.446 53.2283 -26.7784 69.242 -99.4157 84.9739 -88.999 -103.665 201.02 PRESSAVG: 392400 -8.21346 106.496 -1.24078 106.496 -14.2861 21.8195 -1.24073 21.8194 -7.09267 GPRESSAVG: 392400 -9.05395 104.991 0.0209482 106.01 -13.4479 22.8158 -3.89283 23.1976 -7.19611 TIMING: 392400 CPU: 1223.47, 0.00319157/step Wall: 1223.47, 0.00319157/step, 4.08485 hours remaining, 234.242188 MB of memory in use. ENERGY: 392400 3991.3239 20398.6569 14413.9914 248.3156 -203583.5573 3132.0822 0.0000 0.0000 51873.6664 -109525.5209 298.1187 -161399.1873 -109170.7500 297.7422 130.6249 155.6833 764374.3666 -9.8641 -9.8993 PRESSURE: 392600 -91.6516 -82.4009 93.8716 -82.4008 -217.133 232.844 93.872 232.845 23.7787 GPRESSURE: 392600 -78.0917 -41.8086 144.728 11.1705 -211.593 286.222 28.001 253.778 80.1812 PRESSAVG: 392600 -21.0452 72.6724 -34.0713 72.6725 4.94244 30.6163 -34.0712 30.6162 0.0164979 GPRESSAVG: 392600 -19.5847 73.6077 -35.2117 73.2394 3.98362 29.0411 -31.4413 31.4845 -0.294658 TIMING: 392600 CPU: 1224.09, 0.00313/step Wall: 1224.09, 0.00313/step, 4.00588 hours remaining, 234.441406 MB of memory in use. ENERGY: 392600 3985.9624 20448.0160 14408.6890 251.0945 -203667.6992 2895.8389 0.0000 0.0000 51877.5483 -109800.5500 298.1410 -161678.0983 -109443.8006 297.9628 -95.0019 -69.8343 762937.2063 -5.3621 -5.2986 PRESSURE: 392800 -131.773 49.8596 -7.76322 49.8602 -10.0502 106.539 -7.76316 106.539 117.517 GPRESSURE: 392800 -190.598 37.841 14.5285 62.9355 107.652 167.23 33.2771 -20.5784 141.112 PRESSAVG: 392800 -42.6788 5.96346 8.92529 5.96347 22.1583 68.9843 8.9253 68.9843 14.5751 GPRESSAVG: 392800 -43.2662 8.72515 9.60344 4.58032 23.1753 68.5749 8.07423 69.9945 13.4959 TIMING: 392800 CPU: 1224.71, 0.00310499/step Wall: 1224.71, 0.00310499/step, 3.9737 hours remaining, 234.441406 MB of memory in use. ENERGY: 392800 4052.4443 20399.6711 14404.2785 285.2184 -203702.3997 3199.8081 0.0000 0.0000 51809.2444 -109551.7348 297.7484 -161360.9792 -109182.8888 297.7128 -8.1021 19.3887 765106.0774 -1.9818 -2.1983 PRESSURE: 393000 -122.354 28.6723 -49.1414 28.6722 92.6185 79.9717 -49.1419 79.9718 92.0575 GPRESSURE: 393000 54.9921 -60.144 -86.4755 -1.18878 177.545 -2.71766 -24.3508 119.079 -90.3945 PRESSAVG: 393000 2.27298 1.98583 -2.69795 1.98581 11.8608 -12.8291 -2.69794 -12.8291 5.79032 GPRESSAVG: 393000 1.88027 0.422289 -3.08414 2.46345 12.5102 -12.4093 -1.21989 -11.7042 5.83612 TIMING: 393000 CPU: 1225.34, 0.00311762/step Wall: 1225.34, 0.00311762/step, 3.98969 hours remaining, 234.441406 MB of memory in use. ENERGY: 393000 3972.5207 20352.0592 14409.0209 242.4836 -203461.9631 3028.9045 0.0000 0.0000 51847.0671 -109609.9072 297.9658 -161456.9743 -109247.4965 298.0052 20.7739 47.3809 764079.1006 6.6414 6.7422 PRESSURE: 393200 -165.38 -27.91 -70.4792 -27.9098 -193.477 297.803 -70.4784 297.803 -22.066 GPRESSURE: 393200 -85.5533 105.334 -142.056 18.3502 -175.731 347.317 -17.9149 164.871 -37.4317 PRESSAVG: 393200 1.68872 31.0619 -14.9236 31.0618 -39.5318 28.1417 -14.9237 28.1418 -3.03261 GPRESSAVG: 393200 1.9934 29.8535 -14.9142 31.0134 -40.1912 29.2605 -14.9533 24.2161 -3.15906 TIMING: 393200 CPU: 1225.96, 0.00312331/step Wall: 1225.96, 0.00312331/step, 3.99679 hours remaining, 234.441406 MB of memory in use. ENERGY: 393200 4047.0224 20299.1871 14454.9165 236.8305 -203463.3857 3009.3336 0.0000 0.0000 51984.1559 -109431.9397 298.7537 -161416.0957 -109072.6771 297.8711 -126.9744 -99.5722 766114.3046 -13.6252 -13.7856 PRESSURE: 393400 89.6044 -47.0929 -135.743 -47.0937 103.752 110.843 -135.744 110.843 -93.7116 GPRESSURE: 393400 103.518 9.24923 -89.304 -14.8951 158.669 39.593 -189.904 184.125 -57.0984 PRESSAVG: 393400 -18.1056 10.5937 35.4685 10.5937 -8.46594 -2.8275 35.4685 -2.82745 -1.05997 GPRESSAVG: 393400 -17.8529 11.445 35.4533 11.758 -10.0012 -3.51288 34.2148 -0.165207 0.472582 TIMING: 393400 CPU: 1226.59, 0.00311794/step Wall: 1226.59, 0.00311794/step, 3.98975 hours remaining, 234.441406 MB of memory in use. ENERGY: 393400 3986.8329 20534.4397 14442.4043 261.1234 -203591.1720 3136.3505 0.0000 0.0000 51890.9141 -109339.1071 298.2178 -161230.0212 -108973.9831 297.9764 33.2150 68.3631 765303.6401 -9.2105 -9.1272 PRESSURE: 393600 181.396 -25.8328 -267.424 -25.8332 111.829 109.793 -267.423 109.791 392.911 GPRESSURE: 393600 215.809 -23.6779 -334.921 -137.991 129.885 123.571 -212.53 66.275 417.821 PRESSAVG: 393600 -35.813 -16.6648 -15.0833 -16.6647 -11.7292 73.0524 -15.0833 73.0524 -5.37097 GPRESSAVG: 393600 -35.6982 -14.8498 -15.0618 -18.1184 -9.99688 72.1485 -14.2987 73.3881 -7.36872 TIMING: 393600 CPU: 1227.21, 0.0031104/step Wall: 1227.21, 0.0031104/step, 3.97993 hours remaining, 234.441406 MB of memory in use. ENERGY: 393600 3978.9288 20550.9561 14389.2405 261.6199 -203396.6991 2934.7128 0.0000 0.0000 51856.8877 -109424.3532 298.0222 -161281.2410 -109074.2994 298.0495 228.7120 254.5051 764433.3008 -17.6377 -17.6879 PRESSURE: 393800 325.221 -161.084 170.957 -161.085 -236.045 117.787 170.958 117.787 266.422 GPRESSURE: 393800 323.094 -93.2127 213.878 -50.0231 -165.455 157.877 101.986 172.095 257.677 PRESSAVG: 393800 -28.1217 7.6879 -64.2085 7.68788 14.0515 22.0509 -64.2085 22.0509 -9.53692 GPRESSAVG: 393800 -28.2131 6.55126 -65.4136 9.35892 12.0677 22.8672 -65.1003 21.3063 -7.42115 TIMING: 393800 CPU: 1227.83, 0.00311955/step Wall: 1227.83, 0.00311955/step, 3.99147 hours remaining, 234.441406 MB of memory in use. ENERGY: 393800 4002.5155 20457.1000 14462.8033 236.3862 -203206.3799 2693.9028 0.0000 0.0000 52113.6846 -109239.9874 299.4981 -161353.6720 -108900.2659 297.9887 118.5328 138.4385 764416.7921 -7.8690 -7.8555 PRESSURE: 394000 -101.035 -225.184 -57.3229 -225.184 -149.458 59.334 -57.3232 59.3328 13.142 GPRESSURE: 394000 -122.639 -95.2258 -66.6846 -147.578 -32.8271 61.1118 -5.43546 51.0727 20.7592 PRESSAVG: 394000 -7.00734 4.35233 -24.9219 4.35235 -20.2521 16.3467 -24.9218 16.3467 -3.79846 GPRESSAVG: 394000 -7.16678 5.30145 -21.3995 0.649379 -18.8822 17.4883 -24.9221 13.1108 -4.73694 TIMING: 394000 CPU: 1228.45, 0.00311468/step Wall: 1228.45, 0.00311468/step, 3.98506 hours remaining, 234.441406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 394000 4066.2266 20621.5707 14439.7378 246.8643 -203164.8485 2954.3359 0.0000 0.0000 51706.7753 -109129.3380 297.1595 -160836.1133 -108779.2847 298.6837 -79.1169 -44.9024 763136.1496 -10.3526 -10.2620 PRESSURE: 394200 204.987 -197.509 -97.6978 -197.508 -199.246 -20.5042 -97.6984 -20.5049 446.645 GPRESSURE: 394200 276.562 -71.0904 -83.8291 -281.471 -204.632 -64.4922 -59.285 -148.89 453.19 PRESSAVG: 394200 -1.76848 -26.9055 -0.626508 -26.9055 9.27652 -35.0152 -0.626565 -35.0151 17.1099 GPRESSAVG: 394200 -1.86538 -27.4248 -3.93638 -24.4813 8.46443 -34.3109 -0.461408 -33.9155 17.8932 TIMING: 394200 CPU: 1229.08, 0.00311597/step Wall: 1229.08, 0.00311597/step, 3.98654 hours remaining, 234.441406 MB of memory in use. ENERGY: 394200 4007.0562 20584.7764 14440.5045 241.3415 -203518.2173 3065.5603 0.0000 0.0000 51950.0207 -109228.9577 298.5575 -161178.9783 -108867.8675 298.6001 150.7955 175.0401 763583.1681 8.2060 8.1641 PRESSURE: 394400 217.448 -47.9981 -32.6237 -47.9977 156.099 77.8682 -32.6243 77.8677 -197.577 GPRESSURE: 394400 255.6 -12.1247 8.51504 0.590286 86.2513 0.169329 1.94939 139.743 -87.8712 PRESSAVG: 394400 -43.0504 -10.0893 23.2631 -10.0893 20.4318 -11.4001 23.2631 -11.4001 -21.5524 GPRESSAVG: 394400 -43.543 -9.86919 23.8544 -10.4731 20.4815 -13.497 24.0476 -9.36667 -21.4052 TIMING: 394400 CPU: 1229.7, 0.00310938/step Wall: 1229.7, 0.00310938/step, 3.97793 hours remaining, 234.441406 MB of memory in use. ENERGY: 394400 3946.6579 20597.2886 14346.1073 255.7381 -203178.3942 2871.6313 0.0000 0.0000 52043.6789 -109117.2921 299.0957 -161160.9710 -108769.5880 298.7082 58.6564 84.6602 763280.1358 -14.7237 -14.8222 PRESSURE: 394600 50.0118 -71.9079 78.1308 -71.9071 31.6028 28.8328 78.1311 28.8326 653.735 GPRESSURE: 394600 75.0042 -129.641 58.8113 107.949 15.662 -14.4669 192.381 120.782 709.755 PRESSAVG: 394600 -3.8827 -17.6531 39.0013 -17.6531 56.2927 23.7226 39.0014 23.7226 -5.24177 GPRESSAVG: 394600 -4.42694 -17.3003 39.6777 -15.8805 56.3394 24.3907 37.4976 23.2109 -4.60383 TIMING: 394600 CPU: 1230.32, 0.00312101/step Wall: 1230.32, 0.00312101/step, 3.99264 hours remaining, 234.441406 MB of memory in use. ENERGY: 394600 3891.7648 20605.2311 14398.0116 228.5011 -203052.8496 2897.8708 0.0000 0.0000 51949.1980 -109082.2723 298.5528 -161031.4704 -108717.8238 299.0732 245.1165 266.8069 764609.0748 15.7227 15.7695 PRESSURE: 394800 -65.1743 17.4747 121.563 17.4748 -120.817 64.1133 121.563 64.1136 40.6929 GPRESSURE: 394800 34.3298 6.51133 125.273 80.2224 -135.51 12.7678 69.4805 -34.7053 45.3857 PRESSAVG: 394800 41.4845 8.76982 -13.1244 8.7698 8.49727 4.68964 -13.1244 4.68954 20.1704 GPRESSAVG: 394800 43.3957 8.98903 -13.5337 7.61267 7.78709 5.39167 -12.2395 4.58848 19.1093 TIMING: 394800 CPU: 1230.95, 0.00312379/step Wall: 1230.95, 0.00312379/step, 3.99603 hours remaining, 234.441406 MB of memory in use. ENERGY: 394800 3972.9575 20446.3897 14516.6287 239.2361 -203259.1379 2916.7943 0.0000 0.0000 52016.4253 -109150.7063 298.9391 -161167.1316 -108785.9410 298.8754 -48.4328 -18.5981 763837.9004 23.3841 23.4307 PRESSURE: 395000 -47.4481 14.3366 -52.241 14.3361 106.738 22.9328 -52.2413 22.9325 -124.132 GPRESSURE: 395000 -22.6713 92.706 -101.901 -24.4126 194.3 82.1153 -18.3561 -149.01 -151.663 PRESSAVG: 395000 -41.9646 30.0067 47.5347 30.0067 26.7346 -1.70224 47.5347 -1.70221 -12.7696 GPRESSAVG: 395000 -43.6821 30.5608 48.1291 28.9617 28.6338 -1.71448 47.4758 -2.45944 -12.9648 TIMING: 395000 CPU: 1231.57, 0.00311738/step Wall: 1231.57, 0.00311738/step, 3.98764 hours remaining, 234.441406 MB of memory in use. ENERGY: 395000 3963.4937 20428.6588 14420.2013 241.8518 -203479.9545 2984.5024 0.0000 0.0000 52163.0776 -109278.1690 299.7819 -161441.2465 -108902.7090 299.1029 -21.6141 6.6551 763259.0761 -9.3332 -9.3377 PRESSURE: 395200 -62.0805 201.675 -84.6116 201.674 171.287 -94.236 -84.6121 -94.2358 215.735 GPRESSURE: 395200 -37.4899 240.435 -160.618 178.023 191.909 -64.2947 -203.21 35.5482 209.869 PRESSAVG: 395200 7.88496 57.6874 -16.2966 57.6874 73.9215 17.8374 -16.2965 17.8374 10.7854 GPRESSAVG: 395200 8.33634 55.6976 -16.6043 58.5526 72.5819 18.2255 -15.0206 20.4947 10.5586 TIMING: 395200 CPU: 1232.19, 0.00311384/step Wall: 1232.19, 0.00311384/step, 3.98295 hours remaining, 234.441406 MB of memory in use. ENERGY: 395200 3940.2882 20433.8161 14486.6222 269.7003 -202930.0930 2636.2811 0.0000 0.0000 51984.7678 -109178.6172 298.7572 -161163.3851 -108807.7140 298.8675 108.3139 121.4294 763626.8655 30.8640 30.4923 PRESSURE: 395400 408.413 121.425 122.024 121.425 212.634 -67.949 122.022 -67.9491 -211.055 GPRESSURE: 395400 357.876 90.404 75.7329 105.08 286.236 -48.4899 146.735 -140.43 -165.982 PRESSAVG: 395400 1.48659 -7.13839 5.76822 -7.1384 47.1979 20.0448 5.76817 20.0447 5.60005 GPRESSAVG: 395400 1.36979 -5.02916 5.10383 -7.87727 47.4976 19.0698 4.43839 18.921 5.85507 TIMING: 395400 CPU: 1232.82, 0.00312971/step Wall: 1232.82, 0.00312971/step, 4.00307 hours remaining, 234.441406 MB of memory in use. ENERGY: 395400 3929.0252 20529.6606 14464.5987 273.1932 -203235.6641 2754.7572 0.0000 0.0000 52205.3718 -109079.0575 300.0250 -161284.4293 -108704.9807 298.4722 136.6640 159.3765 764362.0404 18.0948 18.2408 PRESSURE: 395600 -251.382 -183.357 -47.4209 -183.356 -187.13 44.2035 -47.4205 44.2036 -705.42 GPRESSURE: 395600 -230.053 -189.083 -25.9174 -102.241 -162.182 -20.426 -65.3936 -26.218 -670.736 PRESSAVG: 395600 21.3298 -16.4328 -46.4727 -16.4328 -4.22503 -10.5029 -46.4728 -10.503 0.881265 GPRESSAVG: 395600 21.6833 -17.9867 -45.8893 -15.2139 -4.97286 -9.67297 -46.0382 -10.2234 0.684189 TIMING: 395600 CPU: 1233.45, 0.00312572/step Wall: 1233.45, 0.00312572/step, 3.99779 hours remaining, 234.441406 MB of memory in use. ENERGY: 395600 4085.6281 20494.5782 14450.6057 283.4535 -202807.3384 2504.3029 0.0000 0.0000 51895.3108 -109093.4592 298.2431 -160988.7700 -108736.6651 298.5588 -381.3105 -354.3236 763576.4089 5.9953 5.7982 PRESSURE: 395800 66.2992 167.877 -43.4579 167.877 55.2758 -108.414 -43.4576 -108.414 560.379 GPRESSURE: 395800 203.859 129.792 -137.704 196.955 38.6478 -150.841 -69.3096 22.7598 515.69 PRESSAVG: 395800 -26.7666 24.4946 -2.76175 24.4947 27.0683 -45.7495 -2.76177 -45.7494 6.12803 GPRESSAVG: 395800 -26.8825 24.7122 -3.83782 23.0813 27.3295 -45.1913 -3.51013 -46.3712 6.57723 TIMING: 395800 CPU: 1234.07, 0.00311373/step Wall: 1234.07, 0.00311373/step, 3.98228 hours remaining, 234.441406 MB of memory in use. ENERGY: 395800 3964.1457 20392.9444 14431.6498 250.7101 -203062.9156 3029.0145 0.0000 0.0000 52033.2026 -108961.2485 299.0355 -160994.4510 -108597.9073 298.7607 227.3182 252.7321 765323.9949 2.1433 2.3414 PRESSURE: 396000 226.362 -133.779 -12.9083 -133.779 307.067 34.046 -12.9069 34.045 -40.3627 GPRESSURE: 396000 229.607 -55.2018 -49.2184 -44.4024 369.878 88.9231 -48.5175 -106.968 -17.852 PRESSAVG: 396000 11.5322 33.3423 -24.8368 33.3423 -20.6771 7.83052 -24.8368 7.83043 -7.46533 GPRESSAVG: 396000 11.6236 32.3875 -24.6569 32.7342 -20.3712 7.06818 -23.9554 6.04252 -7.41571 TIMING: 396000 CPU: 1234.69, 0.00313114/step Wall: 1234.69, 0.00313114/step, 4.00438 hours remaining, 234.441406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 396000 3959.1740 20453.9032 14510.3797 255.6309 -203102.5487 2818.9229 0.0000 0.0000 52023.7811 -109080.7569 298.9814 -161104.5381 -108709.0181 298.2828 164.3555 193.8779 763761.5217 -5.5367 -5.3878 PRESSURE: 396200 -62.4715 268.355 71.3456 268.355 -192.465 58.352 71.345 58.3523 155.175 GPRESSURE: 396200 -73.0881 287.053 78.9181 378.078 -69.7893 6.47735 32.3207 34.7423 132.863 PRESSAVG: 396200 16.1769 26.3103 -6.1038 26.3103 51.6828 12.6944 -6.10383 12.6944 17.5473 GPRESSAVG: 396200 15.587 27.4681 -6.19221 28.1056 52.6334 13.5226 -7.18979 12.4884 17.3299 TIMING: 396200 CPU: 1235.32, 0.00311385/step Wall: 1235.32, 0.00311385/step, 3.9821 hours remaining, 234.441406 MB of memory in use. ENERGY: 396200 3940.6280 20434.7700 14465.8777 264.9435 -203434.5002 2959.4502 0.0000 0.0000 52124.2412 -109244.5896 299.5587 -161368.8308 -108875.0098 298.6030 -33.2541 -3.3381 765053.8318 28.4690 28.5168 LDB: ============= START OF LOAD BALANCING ============== 1247.8 LDB: ============== END OF LOAD BALANCING =============== 1247.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1247.8 LDB: ============= START OF LOAD BALANCING ============== 1248.11 LDB: Largest compute 7052 load 0.029817 is 15.3% of average load 0.194973 LDB: Average compute 0.004367 is 2.2% of average load 0.194973 LDB: TIME 1248.11 LOAD: AVG 0.194973 MAX 0.217049 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.73 MB LDB: TIME 1248.11 LOAD: AVG 0.194973 MAX 0.217049 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.73 MB LDB: TIME 1248.11 LOAD: AVG 0.194973 MAX 0.217049 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.73 MB LDB: ============== END OF LOAD BALANCING =============== 1248.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1248.12 PRESSURE: 396400 -143.712 -48.9699 -150.93 -48.9698 287.191 -175.712 -150.931 -175.711 -7.80046 GPRESSURE: 396400 -38.547 -51.6122 -190.767 -15.1983 232.485 -256.329 -187.774 -177.849 31.2246 PRESSAVG: 396400 -36.8736 70.1106 -55.5394 70.1106 67.5302 64.7164 -55.5394 64.7164 16.9611 GPRESSAVG: 396400 -36.2911 70.6088 -56.2287 70.3036 66.934 62.4863 -53.6676 67.1059 16.6992 TIMING: 396400 CPU: 1235.96, 0.00318667/step Wall: 1235.96, 0.00318666/step, 4.07504 hours remaining, 234.242188 MB of memory in use. ENERGY: 396400 4043.0122 20465.2020 14361.2469 238.3672 -203557.0096 3148.3878 0.0000 0.0000 52230.8834 -109069.9102 300.1716 -161300.7936 -108708.8874 298.3541 45.2261 75.0541 763840.8532 15.8725 15.7807 PRESSURE: 396600 -182.294 -3.02786 67.3483 -3.02819 47.8744 120.707 67.3482 120.706 -1.94841 GPRESSURE: 396600 -113.179 13.9224 48.2156 -17.0598 60.5226 171.83 -81.5273 178.676 0.869002 PRESSAVG: 396600 -9.09906 7.10518 -8.78282 7.10527 10.6612 19.676 -8.78291 19.6761 7.80859 GPRESSAVG: 396600 -9.80611 6.82156 -8.10754 6.64744 10.9142 20.6487 -9.60327 19.24 8.07853 TIMING: 396600 CPU: 1236.57, 0.00309657/step Wall: 1236.57, 0.00309657/step, 3.95966 hours remaining, 234.242188 MB of memory in use. ENERGY: 396600 4042.5762 20537.8821 14385.6498 255.4980 -203277.0201 2787.6587 0.0000 0.0000 52114.7873 -109152.9680 299.5044 -161267.7553 -108791.8919 298.6029 -45.4561 -17.2625 764598.8337 3.1236 3.0622 PRESSURE: 396800 89.7685 125.133 -81.3402 125.133 -155.845 -92.8431 -81.3411 -92.8435 253.36 GPRESSURE: 396800 64.6752 138.69 3.09756 68.9115 -35.2807 -146.552 -77.4466 1.74007 241.885 PRESSAVG: 396800 -27.0319 0.518312 9.96929 0.518357 26.843 23.8099 9.96937 23.81 -1.54431 GPRESSAVG: 396800 -25.9611 0.904123 10.6087 -0.158398 25.0809 23.6413 9.68845 21.8641 -1.47757 TIMING: 396800 CPU: 1237.19, 0.00310159/step Wall: 1237.19, 0.00310159/step, 3.9659 hours remaining, 234.242188 MB of memory in use. ENERGY: 396800 4123.1985 20415.7183 14388.7394 251.9609 -203470.8713 3184.4122 0.0000 0.0000 52107.7459 -108999.0961 299.4639 -161106.8420 -108631.5340 298.6411 62.4277 90.4266 764684.9667 -0.5778 -0.7859 PRESSURE: 397000 96.672 175.748 356.904 175.748 -104.379 172.908 356.904 172.908 -231.458 GPRESSURE: 397000 168.224 175.554 430.563 154.202 -119.772 230.439 256.2 127.993 -222.411 PRESSAVG: 397000 -3.43935 3.94502 -23.6133 3.94496 50.2754 1.43954 -23.6133 1.4396 25.7932 GPRESSAVG: 397000 -3.17618 2.15159 -25.277 5.35673 50.6668 1.36294 -22.7258 2.88563 25.2105 TIMING: 397000 CPU: 1237.82, 0.0031149/step Wall: 1237.82, 0.0031149/step, 3.98275 hours remaining, 234.242188 MB of memory in use. ENERGY: 397000 4028.4012 20606.2334 14524.6735 255.2041 -203436.3497 3013.2304 0.0000 0.0000 51813.7095 -109194.8976 297.7741 -161008.6071 -108834.0631 298.9457 -79.7220 -57.9865 765852.0919 24.2098 24.2337 PRESSURE: 397200 -283.573 -314.677 105.159 -314.676 -136.397 153.22 105.159 153.22 23.2944 GPRESSURE: 397200 -245.284 -295.325 109.682 -182.185 -133.689 102.56 9.59562 34.3623 71.8603 PRESSAVG: 397200 -3.33856 -61.825 -28.4605 -61.825 -46.8887 13.2593 -28.4605 13.2594 -28.7399 GPRESSAVG: 397200 -2.60409 -60.694 -27.0465 -61.6587 -46.2827 13.7762 -29.4515 15.2338 -29.7049 TIMING: 397200 CPU: 1238.44, 0.00311195/step Wall: 1238.44, 0.00311195/step, 3.9788 hours remaining, 234.242188 MB of memory in use. ENERGY: 397200 4026.2145 20428.4338 14488.5848 259.6683 -202741.0657 2478.6052 0.0000 0.0000 51920.6603 -109138.8989 298.3887 -161059.5592 -108783.4961 298.5535 -132.2252 -102.3710 766329.2155 -26.3224 -26.1972 PRESSURE: 397400 162.471 38.7157 56.7425 38.7158 -113.595 65.6697 56.7426 65.6709 19.8046 GPRESSURE: 397400 225.171 63.1311 99.4333 -66.872 -86.8983 -8.54372 112.808 10.5086 7.42101 PRESSAVG: 397400 14.474 44.1734 -2.85868 44.1734 19.4815 -0.857301 -2.85871 -0.857337 21.9235 GPRESSAVG: 397400 13.6684 44.3497 -2.90188 44.5073 19.8841 -1.40244 -3.94133 -2.35274 21.9344 TIMING: 397400 CPU: 1239.07, 0.0031331/step Wall: 1239.07, 0.0031331/step, 4.00567 hours remaining, 234.242188 MB of memory in use. ENERGY: 397400 3989.0157 20539.7889 14504.2098 228.3689 -202992.9046 2836.2015 0.0000 0.0000 51936.0544 -108959.2654 298.4772 -160895.3198 -108598.5955 298.7238 22.8935 48.5645 765112.7327 18.6263 18.4956 PRESSURE: 397600 -3.68381 -16.9457 -67.1119 -16.9452 -93.0251 58.6812 -67.1123 58.6812 81.0201 GPRESSURE: 397600 72.6707 -42.581 -120.605 -131.965 -96.8217 103.258 -55.8999 120.564 89.8892 PRESSAVG: 397600 -12.403 57.5749 -22.2127 57.5749 21.6302 -7.16559 -22.2128 -7.1655 10.5616 GPRESSAVG: 397600 -12.4966 57.0039 -22.6657 58.2607 20.7998 -6.43755 -21.0793 -6.01454 11.8091 TIMING: 397600 CPU: 1239.69, 0.00312482/step Wall: 1239.69, 0.00312482/step, 3.99491 hours remaining, 234.242188 MB of memory in use. ENERGY: 397600 3999.7493 20693.9320 14445.6617 233.2278 -203249.8113 3051.2545 0.0000 0.0000 52165.3428 -108660.6431 299.7949 -160825.9860 -108295.4903 299.2882 -5.2296 21.9127 766516.0754 6.5963 6.7041 PRESSURE: 397800 -44.9575 -122.457 252.44 -122.458 -88.669 -76.4887 252.44 -76.4894 -185.448 GPRESSURE: 397800 -5.46955 -208.133 203.221 -112.866 -34.9385 9.60242 293.302 -104.902 -175.569 PRESSAVG: 397800 -39.0287 29.4965 -9.57715 29.4965 38.1311 -29.6827 -9.57713 -29.6827 -15.3041 GPRESSAVG: 397800 -38.6928 31.7218 -10.9223 27.2949 38.9032 -30.0806 -11.2866 -31.9005 -16.3725 TIMING: 397800 CPU: 1240.32, 0.00312063/step Wall: 1240.32, 0.00312063/step, 3.98938 hours remaining, 234.242188 MB of memory in use. ENERGY: 397800 4024.6019 20487.7059 14425.1197 249.9658 -203186.4205 3028.5459 0.0000 0.0000 52120.3118 -108850.1695 299.5361 -160970.4813 -108498.0133 299.7660 -106.3582 -71.9924 765865.1176 -5.4006 -5.3874 PRESSURE: 398000 -175.025 209.595 -182.369 209.595 63.2422 -233.279 -182.369 -233.28 -47.1615 GPRESSURE: 398000 -125.181 259.74 -235.025 193.263 114.201 -279.029 -163.192 -89.6727 -81.0033 PRESSAVG: 398000 -8.71539 58.9686 -13.7015 58.9687 21.9106 -67.0629 -13.7015 -67.0628 -8.66501 GPRESSAVG: 398000 -10.1126 57.8209 -12.5241 58.5353 22.6233 -68.2861 -12.8428 -64.7558 -8.36834 TIMING: 398000 CPU: 1240.94, 0.00313058/step Wall: 1240.94, 0.00313058/step, 4.00192 hours remaining, 234.242188 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: 398000 3928.7013 20627.7968 14511.7526 252.1474 -202939.5756 2827.0524 0.0000 0.0000 51946.9918 -108845.1333 298.5401 -160792.1251 -108484.7986 299.1812 -52.9813 -30.6610 765962.6635 1.5101 1.3808 PRESSURE: 398200 -48.9359 -123.821 -120.167 -123.821 225.513 36.0296 -120.166 36.0304 -153.007 GPRESSURE: 398200 6.95502 -98.3366 -135.598 -145.738 187.797 -30.8718 45.2447 -28.8266 -109.538 PRESSAVG: 398200 -27.2725 44.5225 -29.1289 44.5225 36.4112 -69.6139 -29.1288 -69.6138 16.3991 GPRESSAVG: 398200 -25.277 44.114 -29.0244 45.852 34.476 -68.6911 -30.0247 -71.1096 16.555 TIMING: 398200 CPU: 1241.57, 0.00314186/step Wall: 1241.57, 0.00314186/step, 4.01616 hours remaining, 234.242188 MB of memory in use. ENERGY: 398200 3965.9662 20666.4207 14513.9286 234.4250 -203094.5641 2780.3262 0.0000 0.0000 52002.3329 -108931.1645 298.8581 -160933.4974 -108573.7814 299.1373 7.8566 28.4048 765567.0640 8.5126 8.5847 PRESSURE: 398400 28.9856 -160.665 -87.1644 -160.665 -233.521 55.6669 -87.1639 55.6676 -125.252 GPRESSURE: 398400 16.7153 -145.707 -50.2266 -74.7895 -194.198 15.7126 -148.377 -9.84661 -84.3575 PRESSAVG: 398400 -26.8919 -13.1558 -65.5766 -13.1558 63.3999 14.3573 -65.5765 14.3573 1.02103 GPRESSAVG: 398400 -27.0254 -15.3388 -64.2669 -11.6505 64.8406 13.9828 -62.5663 14.0593 -0.250357 TIMING: 398400 CPU: 1242.2, 0.00312562/step Wall: 1242.2, 0.00312562/step, 3.99524 hours remaining, 234.242188 MB of memory in use. ENERGY: 398400 4053.2672 20473.6557 14493.7823 257.8136 -203201.0667 2853.5363 0.0000 0.0000 52003.7564 -109065.2552 298.8663 -161069.0115 -108697.6234 299.1193 -109.9291 -87.2800 764171.6725 12.5097 12.5216 PRESSURE: 398600 -96.1638 -61.5323 -86.9523 -61.5319 39.0439 189.616 -86.9528 189.617 16.9079 GPRESSURE: 398600 -80.2649 -77.4129 -16.4972 21.2193 19.4619 77.0744 -20.0633 192.608 119.554 PRESSAVG: 398600 -11.3486 48.6427 0.592287 48.6426 25.3313 2.55912 0.59223 2.55918 -3.91627 GPRESSAVG: 398600 -12.2238 51.2597 -0.191529 47.8688 23.9887 2.50722 -3.362 2.79064 -1.89584 TIMING: 398600 CPU: 1242.82, 0.00312248/step Wall: 1242.82, 0.00312247/step, 3.99104 hours remaining, 234.242188 MB of memory in use. ENERGY: 398600 4002.0346 20386.7205 14471.5709 262.4370 -202927.2099 2800.9908 0.0000 0.0000 52171.9779 -108831.4782 299.8331 -161003.4560 -108461.3347 299.1458 -13.4040 19.5838 765772.9479 3.3555 3.2897 PRESSURE: 398800 171.373 -136.073 24.2497 -136.074 -142.924 -13.9564 24.2497 -13.9573 74.8508 GPRESSURE: 398800 260.042 -180.657 67.0751 -142.199 -164.179 9.82909 100.162 -43.3275 89.7913 PRESSAVG: 398800 -37.8247 48.8132 7.17317 48.8133 13.5234 -47.9187 7.1732 -47.9188 7.41963 GPRESSAVG: 398800 -38.025 48.2889 7.20004 46.7444 13.5766 -45.8914 7.18629 -47.9774 7.5479 TIMING: 398800 CPU: 1243.45, 0.00312779/step Wall: 1243.45, 0.00312779/step, 3.99766 hours remaining, 234.242188 MB of memory in use. ENERGY: 398800 3979.8966 20595.8640 14454.3123 257.3818 -202854.0887 2795.6256 0.0000 0.0000 51921.5670 -108849.4415 298.3940 -160771.0084 -108489.3768 299.2065 34.4331 61.8847 765559.3431 -5.6272 -5.6335 PRESSURE: 399000 -32.3317 -258.983 -208.167 -258.984 -64.5805 66.2693 -208.167 66.2687 105.17 GPRESSURE: 399000 -84.8461 -301.981 -226.666 -334.72 46.0401 43.2451 -374.658 -51.0961 140.368 PRESSAVG: 399000 -13.7929 6.15158 -31.0594 6.15157 22.5731 -1.08919 -31.0595 -1.08925 39.435 GPRESSAVG: 399000 -13.8991 7.7514 -31.5818 6.26944 23.6696 -3.70088 -31.0672 0.0366291 38.3457 TIMING: 399000 CPU: 1244.07, 0.0031213/step Wall: 1244.07, 0.0031213/step, 3.9892 hours remaining, 234.242188 MB of memory in use. ENERGY: 399000 4057.5799 20661.5637 14532.1938 256.6040 -203478.6537 3133.0287 0.0000 0.0000 52018.1675 -108819.5161 298.9491 -160837.6836 -108459.9744 299.2897 2.7527 33.8540 765538.7238 16.0717 16.0387 PRESSURE: 399200 -144.611 -70.2994 72.0363 -70.2988 108.602 -135.643 72.036 -135.643 -0.41218 GPRESSURE: 399200 -128.564 -53.9198 8.08742 -77.4374 219.231 -160.191 173.524 -80.8126 -38.794 PRESSAVG: 399200 13.4856 -35.0776 -46.5457 -35.0776 -25.7104 -17.0461 -46.5457 -17.0461 14.3399 GPRESSAVG: 399200 13.768 -33.8182 -46.367 -34.7092 -25.5356 -15.839 -46.4899 -19.4583 14.2384 TIMING: 399200 CPU: 1244.69, 0.00312622/step Wall: 1244.69, 0.00312622/step, 3.99531 hours remaining, 234.242188 MB of memory in use. ENERGY: 399200 4087.5645 20677.0917 14490.1916 267.9493 -203566.3497 3109.2403 0.0000 0.0000 52025.7266 -108908.5857 298.9926 -160934.3122 -108550.3050 298.8965 -12.1403 17.2910 765546.7951 0.7050 0.8236 PRESSURE: 399400 -50.8533 -172.459 -60.3727 -172.458 67.3186 97.1932 -60.3731 97.1925 223.412 GPRESSURE: 399400 -17.9569 -122.515 -61.7358 -200.267 134.225 42.3081 -21.5188 38.8775 197.052 PRESSAVG: 399400 -33.8945 5.87383 -21.4136 5.87384 66.6145 -28.2215 -21.4135 -28.2215 1.32793 GPRESSAVG: 399400 -33.0169 4.69795 -21.5339 6.92472 65.8785 -27.7337 -18.8885 -28.0207 1.20929 TIMING: 399400 CPU: 1245.32, 0.00312135/step Wall: 1245.32, 0.00312135/step, 3.98891 hours remaining, 234.242188 MB of memory in use. ENERGY: 399400 4043.2941 20609.5426 14530.7251 243.9104 -203444.6277 3056.0158 0.0000 0.0000 51927.3050 -109033.8346 298.4269 -160961.1396 -108677.4897 298.7190 79.9591 104.4401 765966.0201 11.3493 11.3570 PRESSURE: 399600 8.64313 301.531 -174.111 301.532 -241.8 160.329 -174.111 160.33 -6.34924 GPRESSURE: 399600 32.0917 291.647 -237.424 186.956 -139.969 208.604 -61.7125 67.205 -34.9086 PRESSAVG: 399600 10.5062 -23.7361 -39.2048 -23.7361 5.58945 -0.56798 -39.2047 -0.568019 -12.5433 GPRESSAVG: 399600 10.5507 -27.2477 -39.6967 -23.1196 5.43404 -1.50094 -41.3783 -0.219065 -12.0434 TIMING: 399600 CPU: 1245.94, 0.00311699/step Wall: 1245.94, 0.00311699/step, 3.98317 hours remaining, 234.242188 MB of memory in use. ENERGY: 399600 3996.7099 20654.0477 14500.2191 243.3991 -203146.1733 2892.5877 0.0000 0.0000 51849.4987 -109009.7111 297.9798 -160859.2098 -108639.0386 298.4527 -79.8355 -47.5952 767070.0592 1.1841 1.3138 PRESSURE: 399800 -229.611 21.5237 -31.7564 21.5226 -379.116 -36.6334 -31.7563 -36.6332 121.166 GPRESSURE: 399800 -188.7 -69.6178 7.41411 -21.9898 -366.81 27.6027 -17.0541 136.694 167.855 PRESSAVG: 399800 -0.834559 32.8799 -58.0277 32.8799 -34.3113 7.698 -58.0277 7.69795 -5.52166 GPRESSAVG: 399800 -1.32659 36.0284 -59.0083 29.697 -34.5455 8.8495 -58.084 7.85549 -4.881 TIMING: 399800 CPU: 1246.57, 0.00312822/step Wall: 1246.57, 0.00312822/step, 3.99734 hours remaining, 234.242188 MB of memory in use. ENERGY: 399800 4026.3536 20680.7980 14421.8266 256.0157 -202673.9449 2464.9009 0.0000 0.0000 51983.0142 -108841.0361 298.7471 -160824.0503 -108486.3258 298.7422 -162.5203 -129.2185 766771.3368 -13.5558 -13.5844 PRESSURE: 400000 -513.526 71.3477 -97.4013 71.3482 -245.68 -1.83031 -97.4016 -1.82879 -249.502 GPRESSURE: 400000 -501.012 105.726 -77.9321 104.962 -123.708 -39.1072 25.0932 -110.31 -319.199 PRESSAVG: 400000 -12.1662 -48.5782 -2.05777 -48.5782 47.3521 1.22997 -2.05778 1.23005 -17.4228 GPRESSAVG: 400000 -11.667 -51.1213 -0.088673 -44.9486 47.2696 -0.326455 -2.68873 1.21216 -18.02 TIMING: 400000 CPU: 1247.2, 0.00313797/step Wall: 1247.2, 0.00313797/step, 4.00963 hours remaining, 234.242188 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: 400000 4106.6362 20436.5971 14567.1729 250.3749 -203018.1896 2872.2733 0.0000 0.0000 51904.0548 -108881.0805 298.2933 -160785.1352 -108504.0688 298.8357 -336.2360 -314.6397 764653.2855 5.9210 5.8609 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 400000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 400000 WRITING COORDINATES TO RESTART FILE AT STEP 400000 FINISHED WRITING RESTART COORDINATES The last position output (seq=400000) takes 0.030 seconds, 234.242 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 400000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=400000) takes 0.022 seconds, 234.242 MB of memory in use PRESSURE: 400200 12.5336 89.1687 -399.124 89.1683 -298.509 -95.0643 -399.124 -95.065 108.162 GPRESSURE: 400200 65.2019 21.6468 -279.843 55.6388 -232.402 -23.9163 -417.904 -163.868 79.5609 PRESSAVG: 400200 5.19386 -5.5536 30.4306 -5.5536 -9.48424 -17.2665 30.4306 -17.2665 14.8005 GPRESSAVG: 400200 4.67281 -2.52545 28.661 -6.37367 -8.66918 -17.4532 30.926 -16.8693 14.6298 TIMING: 400200 CPU: 1247.91, 0.00355087/step Wall: 1247.91, 0.00355087/step, 4.53702 hours remaining, 234.242188 MB of memory in use. ENERGY: 400200 4016.3250 20626.3196 14546.5875 244.1201 -203395.6834 2974.8496 0.0000 0.0000 52058.3596 -108929.1220 299.1801 -160987.4816 -108563.6559 299.2207 -59.2712 -29.2132 766550.0601 3.5034 3.5445 LDB: ============= START OF LOAD BALANCING ============== 1260.38 LDB: ============== END OF LOAD BALANCING =============== 1260.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1260.39 LDB: ============= START OF LOAD BALANCING ============== 1260.7 LDB: Largest compute 7010 load 0.031312 is 16.1% of average load 0.194883 LDB: Average compute 0.004387 is 2.3% of average load 0.194883 LDB: TIME 1260.7 LOAD: AVG 0.194883 MAX 0.218575 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.73 MB LDB: TIME 1260.7 LOAD: AVG 0.194883 MAX 0.218575 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.824 MB LDB: TIME 1260.7 LOAD: AVG 0.194883 MAX 0.216275 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.824 MB LDB: ============== END OF LOAD BALANCING =============== 1260.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1260.71 PRESSURE: 400400 319.695 -152.827 -12.9573 -152.827 233.778 24.8866 -12.9576 24.8855 -168.577 GPRESSURE: 400400 322.594 -125.214 115.311 -150.64 209.596 29.6377 6.32885 146.846 -71.2167 PRESSAVG: 400400 -48.4594 -21.3832 -3.93389 -21.3832 21.555 5.72842 -3.93384 5.7284 -21.7034 GPRESSAVG: 400400 -49.511 -22.9375 -2.53962 -22.9392 21.7446 7.35899 -4.58972 4.71615 -21.1511 TIMING: 400400 CPU: 1248.54, 0.00317686/step Wall: 1248.54, 0.00317686/step, 4.05897 hours remaining, 234.242188 MB of memory in use. ENERGY: 400400 4015.4633 20639.0835 14372.6750 241.9806 -203706.2545 3514.7152 0.0000 0.0000 51956.2648 -108966.0721 298.5934 -160922.3370 -108610.8867 298.8608 128.2988 153.6579 764813.6318 -16.2026 -16.3058 PRESSURE: 400600 -130.214 36.871 -212.576 36.8705 181.327 -122.513 -212.576 -122.513 -138.322 GPRESSURE: 400600 -70.3112 19.6906 -317.242 87.3684 158.343 -80.6841 -101.414 -243.902 -83.0965 PRESSAVG: 400600 -22.1126 20.6469 -40.8021 20.6469 34.3731 -7.57491 -40.8021 -7.57482 2.71414 GPRESSAVG: 400600 -21.4039 20.4826 -42.5633 23.0654 34.3907 -7.46457 -39.8701 -6.58844 1.78316 TIMING: 400600 CPU: 1249.17, 0.00311899/step Wall: 1249.17, 0.00311899/step, 3.98485 hours remaining, 234.242188 MB of memory in use. ENERGY: 400600 4061.8393 20547.3302 14456.2529 253.0025 -203341.8990 2951.7710 0.0000 0.0000 52377.0868 -108694.6164 301.0118 -161071.7032 -108334.5541 299.6443 -29.0700 1.6450 765567.7737 4.9915 4.9233 PRESSURE: 400800 261.972 104.027 30.2334 104.027 -334.467 79.9661 30.2343 79.965 -128.737 GPRESSURE: 400800 270.743 47.3456 26.1685 106.719 -289.826 89.8612 5.42444 8.67775 -118.557 PRESSAVG: 400800 -53.6636 -14.8407 39.8554 -14.8407 30.9929 14.3681 39.8554 14.368 -8.28974 GPRESSAVG: 400800 -53.8294 -13.5258 41.0147 -15.0791 29.603 14.3411 40.0063 11.9404 -7.19585 TIMING: 400800 CPU: 1249.79, 0.00313106/step Wall: 1249.79, 0.00313106/step, 4.00011 hours remaining, 234.242188 MB of memory in use. ENERGY: 400800 3940.7076 20572.8084 14418.7794 250.4741 -203049.8118 3053.4151 0.0000 0.0000 52009.3852 -108804.2421 298.8987 -160813.6273 -108442.0370 299.6061 -67.0774 -45.8802 765269.6302 -10.3201 -10.4741 PRESSURE: 401000 55.0713 51.4151 -62.96 51.415 -7.4924 -239.323 -62.9599 -239.323 251.63 GPRESSURE: 401000 60.5904 68.5313 -42.64 135.124 78.5977 -243.089 57.2193 -186.156 239.213 PRESSAVG: 401000 5.12846 33.4059 14.9589 33.4058 21.4752 -47.8247 14.9589 -47.8247 16.1608 GPRESSAVG: 401000 5.02017 30.5615 16.2894 34.082 21.9241 -49.2581 14.8562 -46.3491 15.8538 TIMING: 401000 CPU: 1250.42, 0.00313494/step Wall: 1250.42, 0.00313494/step, 4.00489 hours remaining, 234.242188 MB of memory in use. ENERGY: 401000 3925.9013 20753.6881 14429.7124 238.6675 -202874.0369 3015.7004 0.0000 0.0000 51947.6775 -108562.6897 298.5440 -160510.3672 -108200.7843 299.8434 99.7362 126.1337 764298.9553 14.2548 14.2660 PRESSURE: 401200 -71.8343 142.808 112.781 142.807 -250.209 -136.907 112.781 -136.906 193.1 GPRESSURE: 401200 -57.8269 182.87 82.4669 174.426 -133.37 -183.338 100.243 -36.0506 151.475 PRESSAVG: 401200 -6.31949 18.6669 13.2954 18.6668 35.2436 -13.8935 13.2954 -13.8935 0.847697 GPRESSAVG: 401200 -5.08461 20.4127 11.854 18.2301 35.1463 -13.6141 13.2586 -9.99103 -0.426558 TIMING: 401200 CPU: 1251.05, 0.00314463/step Wall: 1251.05, 0.00314463/step, 4.01709 hours remaining, 234.242188 MB of memory in use. ENERGY: 401200 4066.7914 20658.3137 14384.5463 241.2958 -203131.5816 3062.5781 0.0000 0.0000 52046.1201 -108671.9362 299.1098 -160718.0563 -108314.5018 299.8654 -42.9811 -13.2407 766572.7666 9.9239 9.8784 PRESSURE: 401400 228.702 58.263 -18.9556 58.2635 -189.833 110.914 -18.9564 110.915 45.0029 GPRESSURE: 401400 158.495 113.958 -45.5693 132.807 15.9718 203.513 -59.2723 49.0065 7.65729 PRESSAVG: 401400 -24.8546 -19.9835 8.76053 -19.9835 -2.95777 24.8958 8.76051 24.8958 -7.36857 GPRESSAVG: 401400 -25.6899 -20.8099 7.88742 -19.2822 -2.55197 25.4021 9.1506 20.0691 -6.15382 TIMING: 401400 CPU: 1251.67, 0.0031368/step Wall: 1251.67, 0.0031368/step, 4.00692 hours remaining, 234.242188 MB of memory in use. ENERGY: 401400 3997.5540 20586.6072 14409.2577 232.1955 -203400.1478 3073.2282 0.0000 0.0000 52428.3132 -108672.9921 301.3062 -161101.3052 -108306.2839 299.5408 27.9573 60.7080 765618.1501 -11.7270 -11.4652 PRESSURE: 401600 27.44 134.212 -173.869 134.213 98.6866 131.252 -173.869 131.252 -175.023 GPRESSURE: 401600 50.6959 159.129 -56.2155 119.4 156.253 129.633 -89.336 121.169 -179.223 PRESSAVG: 401600 -19.1093 29.8793 -24.2637 29.8793 24.7897 -36.5405 -24.2637 -36.5405 2.39769 GPRESSAVG: 401600 -18.9811 33.6173 -23.895 27.4846 23.9135 -36.2055 -23.579 -34.9249 2.71685 TIMING: 401600 CPU: 1252.3, 0.00312117/step Wall: 1252.3, 0.00312117/step, 3.98678 hours remaining, 234.242188 MB of memory in use. ENERGY: 401600 3955.3090 20652.9669 14428.7613 241.2366 -203140.1604 3062.5983 0.0000 0.0000 51949.8736 -108849.4148 298.5566 -160799.2884 -108491.9946 299.7394 -16.2987 9.2419 764996.8529 2.6927 2.5497 PRESSURE: 401800 29.4122 45.8873 123.81 45.8869 149.736 -105.123 123.81 -105.121 76.564 GPRESSURE: 401800 55.3403 135.787 0.990452 -26.8306 148.403 -81.0801 50.7212 -51.2496 148.214 PRESSAVG: 401800 13.9848 9.67337 22.182 9.67334 3.75891 42.2636 22.182 42.2636 -12.1018 GPRESSAVG: 401800 14.8279 8.04653 21.418 10.0364 3.81491 41.6753 23.0485 41.5845 -13.0168 TIMING: 401800 CPU: 1252.92, 0.00311967/step Wall: 1252.92, 0.00311967/step, 3.98469 hours remaining, 234.242188 MB of memory in use. ENERGY: 401800 4053.6512 20562.3354 14435.3122 241.3087 -203177.3343 2989.0177 0.0000 0.0000 51639.1684 -109256.5406 296.7710 -160895.7090 -108900.9361 298.8669 85.2373 117.3189 763471.4271 1.8807 1.8753 PRESSURE: 402000 -122.376 148.932 -21.445 148.932 -264.228 60.0126 -21.4455 60.0122 -25.5255 GPRESSURE: 402000 -107.434 115.317 -6.32856 114.216 -162.105 22.3179 -91.1717 -73.2652 -68.0612 PRESSAVG: 402000 12.7701 -14.031 -8.83096 -14.0309 1.48857 33.8005 -8.83084 33.8005 -3.58641 GPRESSAVG: 402000 11.8496 -16.1286 -8.81274 -13.8112 2.40085 33.4185 -10.5041 32.2491 -3.74691 TIMING: 402000 CPU: 1253.55, 0.00312454/step Wall: 1253.55, 0.00312454/step, 3.99073 hours remaining, 234.242188 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: 402000 4043.4609 20471.5258 14381.4514 260.6212 -203370.5060 2999.6652 0.0000 0.0000 52053.2543 -109160.5274 299.1508 -161213.7817 -108803.3408 298.5892 -137.3763 -112.5335 763342.6198 3.5574 3.5012 PRESSURE: 402200 83.1244 -215.717 -233.741 -215.715 -20.8586 84.1772 -233.74 84.1764 336.95 GPRESSURE: 402200 111.394 -137.45 -63.8298 -174.708 -53.3554 166.655 -244.821 49.2351 419.404 PRESSAVG: 402200 -26.5591 -13.8965 -39.4185 -13.8966 20.7767 3.17138 -39.4184 3.17141 -12.2772 GPRESSAVG: 402200 -25.9733 -12.6744 -38.3833 -12.7279 18.9528 4.15952 -41.3581 4.32247 -11.5131 TIMING: 402200 CPU: 1254.17, 0.00311266/step Wall: 1254.17, 0.00311266/step, 3.97538 hours remaining, 234.242188 MB of memory in use. ENERGY: 402200 4053.7026 20489.0839 14353.7576 258.9836 -203561.2726 3157.1670 0.0000 0.0000 52050.7407 -109197.8372 299.1363 -161248.5779 -108832.0639 298.6713 133.0721 159.1475 764386.8249 -6.0199 -6.1779 PRESSURE: 402400 187.303 -76.9191 -162.45 -76.919 -73.8433 -70.8646 -162.451 -70.8648 213.725 GPRESSURE: 402400 225.108 -177.719 -174.763 -123.733 20.0075 -124.974 -122.53 -24.9357 166.525 PRESSAVG: 402400 -14.4431 -13.2345 -22.7255 -13.2346 10.6822 0.478392 -22.7255 0.478452 20.0298 GPRESSAVG: 402400 -15.9953 -14.0897 -21.6966 -14.5888 12.0434 -0.839525 -21.3596 1.12577 19.8562 TIMING: 402400 CPU: 1254.79, 0.00311735/step Wall: 1254.79, 0.00311735/step, 3.9812 hours remaining, 234.242188 MB of memory in use. ENERGY: 402400 3967.1549 20581.9129 14405.8162 233.3882 -203426.6721 2995.1575 0.0000 0.0000 52113.3858 -109129.8566 299.4963 -161243.2424 -108777.6003 298.6987 109.0614 137.2134 762849.9692 5.4230 5.3014 PRESSURE: 402600 -234.854 50.5646 -78.9177 50.5642 -99.148 -135.929 -78.9166 -135.929 99.596 GPRESSURE: 402600 -283.377 59.5575 -74.9303 100.488 23.3834 -168.857 31.3827 -62.2956 104.296 PRESSAVG: 402600 -10.5801 -69.9772 2.03191 -69.9772 0.834749 4.28174 2.03187 4.28164 8.78996 GPRESSAVG: 402600 -9.75211 -69.7396 0.724616 -67.5999 -0.0194069 4.37953 2.62548 5.85933 8.27241 TIMING: 402600 CPU: 1255.42, 0.00311822/step Wall: 1255.42, 0.00311822/step, 3.98214 hours remaining, 234.242188 MB of memory in use. ENERGY: 402600 4055.2717 20409.5208 14376.9549 258.2582 -203650.1462 3056.3127 0.0000 0.0000 52315.3951 -109178.4329 300.6573 -161493.8280 -108815.3536 299.1489 -78.1354 -51.8992 763547.6975 -0.3185 -0.4997 PRESSURE: 402800 160.894 -118.014 98.5383 -118.014 -112.441 42.0376 98.5376 42.0386 -200.046 GPRESSURE: 402800 179.88 -100.65 33.9234 -221.413 -170.652 63.8361 211.368 11.8069 -89.8009 PRESSAVG: 402800 2.86966 12.8095 -28.7592 12.8095 23.9607 24.3891 -28.7593 24.3891 26.9287 GPRESSAVG: 402800 2.21395 13.1027 -28.8833 13.8112 25.4298 27.0497 -27.6209 21.4659 26.7716 TIMING: 402800 CPU: 1256.04, 0.00311518/step Wall: 1256.04, 0.00311518/step, 3.97809 hours remaining, 234.242188 MB of memory in use. ENERGY: 402800 4007.8252 20553.3933 14458.8224 241.2851 -203369.3994 3081.1856 0.0000 0.0000 52103.0783 -108923.8096 299.4371 -161026.8879 -108571.6947 299.2658 -50.5310 -26.8576 763812.4668 17.9197 18.1384 PRESSURE: 403000 195.424 58.4994 -4.54904 58.4991 -388.396 -206.07 -4.55003 -206.069 38.709 GPRESSURE: 403000 187.216 -25.2763 35.1055 58.3049 -394.317 -270.409 -97.5704 -205.101 138.147 PRESSAVG: 403000 -46.9896 -6.97381 -20.1503 -6.97379 47.749 -6.36422 -20.1503 -6.36423 -12.2847 GPRESSAVG: 403000 -47.5777 -10.6322 -19.68 -8.32311 47.1345 -8.28198 -19.4961 -7.30367 -10.78 TIMING: 403000 CPU: 1256.66, 0.0031181/step Wall: 1256.66, 0.0031181/step, 3.98165 hours remaining, 234.242188 MB of memory in use. ENERGY: 403000 3972.9011 20601.1472 14413.7585 238.8316 -203309.8354 2892.6817 0.0000 0.0000 52019.7665 -109170.7489 298.9583 -161190.5153 -108814.4718 299.0387 -51.4207 -22.9847 762527.0012 -3.8417 -3.7410 PRESSURE: 403200 -93.8472 31.644 -41.3643 31.6439 222.593 -185.007 -41.3638 -185.006 135.51 GPRESSURE: 403200 67.3481 87.8674 -102.973 90.1702 157.825 -169.77 -26.4497 -251.812 135.636 PRESSAVG: 403200 -15.2633 11.9032 -6.59072 11.9032 50.1523 -17.7927 -6.59069 -17.7926 9.40237 GPRESSAVG: 403200 -12.2625 14.272 -7.49941 12.029 48.4559 -16.7579 -7.99957 -15.3799 8.79607 TIMING: 403200 CPU: 1257.29, 0.00312673/step Wall: 1257.29, 0.00312673/step, 3.99248 hours remaining, 234.242188 MB of memory in use. ENERGY: 403200 4023.6501 20557.2426 14419.1657 237.6249 -203012.7444 2665.9600 0.0000 0.0000 52015.8706 -109093.2307 298.9359 -161109.1012 -108732.8503 299.2069 88.0853 120.2698 762316.0401 14.7638 14.9965 PRESSURE: 403400 154.318 37.755 -96.5841 37.7548 -305.582 -150.974 -96.5851 -150.974 88.6553 GPRESSURE: 403400 100.373 69.3129 0.673735 156.662 -244.376 -198.17 -190.997 -127.831 161.837 PRESSAVG: 403400 21.0003 13.7996 15.4564 13.7996 -17.6366 -18.4169 15.4563 -18.417 2.70631 GPRESSAVG: 403400 19.5246 14.5639 18.1196 14.2098 -16.8783 -21.5036 15.4201 -18.9933 3.7478 TIMING: 403400 CPU: 1257.91, 0.00312313/step Wall: 1257.91, 0.00312313/step, 3.98772 hours remaining, 234.242188 MB of memory in use. ENERGY: 403400 3985.9936 20615.5503 14380.5300 252.5381 -203229.0461 2981.1292 0.0000 0.0000 51965.3586 -109047.9463 298.6456 -161013.3049 -108685.4112 299.2278 -20.8697 5.9446 762698.9782 2.0233 2.1314 PRESSURE: 403600 -233.787 -14.2625 -246.604 -14.2622 200.412 -339.785 -246.604 -339.785 -187.693 GPRESSURE: 403600 -151.343 -5.74929 -273.161 -74.3822 167.545 -398.494 -141.695 -284.701 -149.288 PRESSAVG: 403600 44.9734 -44.544 -17.5495 -44.5441 6.88067 -29.6516 -17.5495 -29.6516 18.7293 GPRESSAVG: 403600 46.2634 -44.1514 -17.6451 -44.6618 6.0789 -25.0385 -17.8053 -30.6024 17.8707 TIMING: 403600 CPU: 1258.54, 0.00312709/step Wall: 1258.54, 0.00312709/step, 3.99259 hours remaining, 234.242188 MB of memory in use. ENERGY: 403600 3970.9921 20555.3138 14423.9257 246.0298 -203377.9645 2932.2111 0.0000 0.0000 52242.1334 -109007.3583 300.2363 -161249.4918 -108639.2479 299.1738 -73.6895 -44.3621 763305.0491 23.5278 23.4043 PRESSURE: 403800 137.347 -238.276 282.834 -238.275 -159.477 -32.8146 282.833 -32.8141 -52.7497 GPRESSURE: 403800 201.424 -224.249 257.783 -302.355 -134.727 -56.8047 347.342 -30.4604 -35.1455 PRESSAVG: 403800 33.804 -41.8509 7.96205 -41.8509 -47.8677 -17.192 7.962 -17.1921 9.30955 GPRESSAVG: 403800 32.8556 -42.5121 6.82761 -41.5199 -47.4365 -20.0385 7.71502 -16.0901 9.60508 TIMING: 403800 CPU: 1259.16, 0.00311848/step Wall: 1259.16, 0.00311848/step, 3.98143 hours remaining, 234.242188 MB of memory in use. ENERGY: 403800 4059.6190 20557.5539 14494.9107 247.1890 -203124.5802 2830.9319 0.0000 0.0000 51979.5675 -108954.8081 298.7273 -160934.3756 -108591.0910 299.0447 -24.9599 10.5169 763956.3807 -1.5847 -1.6586 PRESSURE: 404000 -19.8301 -90.7273 237.835 -90.7282 -109.306 29.6045 237.835 29.605 217.915 GPRESSURE: 404000 -94.355 -37.8332 197.42 -91.3431 39.553 69.758 179.285 87.3219 202.139 PRESSAVG: 404000 -42.408 -2.14234 27.7851 -2.1424 30.5765 -33.4768 27.785 -33.4768 6.37623 GPRESSAVG: 404000 -42.7043 -3.05543 30.21 -0.286588 31.464 -33.3908 26.9147 -33.4401 5.25955 TIMING: 404000 CPU: 1259.79, 0.00311904/step Wall: 1259.79, 0.00311904/step, 3.98198 hours remaining, 234.242188 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: 404000 3967.3039 20456.2100 14447.3591 269.1365 -202590.2533 2712.3111 0.0000 0.0000 52189.1610 -108548.7716 299.9318 -160737.9327 -108185.8790 299.6657 29.5930 49.1122 765456.2346 -1.8184 -1.9936 PRESSURE: 404200 -323.839 71.4703 4.2321 71.4704 -144.491 -84.7701 4.23303 -84.769 -380.063 GPRESSURE: 404200 -304.856 -26.9885 90.4537 36.9058 -99.2388 -25.7213 -6.47035 -133.369 -346.069 PRESSAVG: 404200 12.1003 -13.6125 12.584 -13.6125 0.898605 -17.0541 12.584 -17.054 -17.3669 GPRESSAVG: 404200 12.0775 -13.0193 10.5048 -15.1332 0.974309 -15.0285 13.9065 -17.6979 -17.52 TIMING: 404200 CPU: 1260.41, 0.00313235/step Wall: 1260.41, 0.00313235/step, 3.99879 hours remaining, 234.242188 MB of memory in use. ENERGY: 404200 4051.7920 20603.9538 14440.1990 250.3700 -202588.1564 2482.4027 0.0000 0.0000 52312.3804 -108447.0584 300.6400 -160759.4388 -108072.2844 300.0525 -282.7973 -250.0547 766511.6638 -1.4560 -1.4894 LDB: ============= START OF LOAD BALANCING ============== 1272.89 LDB: ============== END OF LOAD BALANCING =============== 1272.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1272.89 LDB: ============= START OF LOAD BALANCING ============== 1273.21 LDB: Largest compute 7052 load 0.030418 is 15.6% of average load 0.194852 LDB: Average compute 0.004383 is 2.2% of average load 0.194852 LDB: TIME 1273.21 LOAD: AVG 0.194852 MAX 0.21505 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.012 MB LDB: TIME 1273.21 LOAD: AVG 0.194852 MAX 0.21505 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.215 MB LDB: TIME 1273.21 LOAD: AVG 0.194852 MAX 0.21505 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.215 MB LDB: ============== END OF LOAD BALANCING =============== 1273.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1273.22 PRESSURE: 404400 69.8156 91.6199 10.6502 91.6206 -225.901 -54.0953 10.6503 -54.0949 -19.6508 GPRESSURE: 404400 46.1257 115.34 -32.3047 19.9041 -125.867 -6.07851 73.2646 -5.5203 -23.4567 PRESSAVG: 404400 0.670272 2.6957 43.1062 2.6957 15.9832 -3.699 43.1062 -3.69903 25.1057 GPRESSAVG: 404400 0.508594 3.64583 42.8385 1.80798 15.5546 -4.84068 44.748 -2.82429 25.3236 TIMING: 404400 CPU: 1261.05, 0.0031873/step Wall: 1261.05, 0.0031873/step, 4.06877 hours remaining, 234.753906 MB of memory in use. ENERGY: 404400 3997.5856 20583.1139 14461.2204 251.7568 -203376.8033 3196.6602 0.0000 0.0000 52224.2546 -108662.2118 300.1335 -160886.4664 -108296.3664 300.0156 -58.5789 -34.3992 763698.5037 13.9197 13.7956 PRESSURE: 404600 -114.124 -137.366 355.311 -137.365 -154.363 133.638 355.31 133.638 -599.949 GPRESSURE: 404600 -162.454 -81.325 347.208 -116.205 -135.635 236.343 177.582 -46.1743 -518.804 PRESSAVG: 404600 14.0948 50.3145 12.7279 50.3144 -18.3752 -49.3242 12.7279 -49.3242 -17.8808 GPRESSAVG: 404600 13.7815 53.4155 10.9809 50.5259 -17.7739 -48.1928 11.5628 -48.6095 -18.5793 TIMING: 404600 CPU: 1261.67, 0.00311839/step Wall: 1261.67, 0.00311839/step, 3.98063 hours remaining, 234.753906 MB of memory in use. ENERGY: 404600 4021.9453 20428.8453 14522.9158 259.8502 -202699.0825 2674.3329 0.0000 0.0000 52141.2382 -108649.9547 299.6564 -160791.1929 -108281.8898 299.3278 -289.4787 -272.2975 766783.6795 -7.3871 -7.5239 PRESSURE: 404800 -53.9426 17.3889 184.795 17.3881 -234.707 72.6179 184.795 72.6177 -134.733 GPRESSURE: 404800 -76.6104 -10.3467 159.582 11.0007 -121.108 67.9876 119.974 -87.459 -152.203 PRESSAVG: 404800 29.276 -2.27593 21.6857 -2.27587 -16.8954 4.44258 21.6857 4.44257 5.12101 GPRESSAVG: 404800 28.8694 -3.92704 24.4135 -2.59118 -17.6803 1.43217 20.8139 4.11066 5.92607 TIMING: 404800 CPU: 1262.3, 0.00310591/step Wall: 1262.3, 0.00310591/step, 3.96452 hours remaining, 234.753906 MB of memory in use. ENERGY: 404800 4002.3424 20574.7671 14486.9426 227.8219 -202786.7235 2622.4822 0.0000 0.0000 52163.7190 -108708.6481 299.7856 -160872.3672 -108349.8095 299.7839 -141.1277 -116.6405 763383.4971 5.8339 5.7051 PRESSURE: 405000 -81.5268 -9.36061 8.59519 -9.36087 199.753 -24.9363 8.59499 -24.936 47.354 GPRESSURE: 405000 19.5137 51.2251 -0.978831 51.4921 200.971 0.916028 57.0817 -13.9969 27.9965 PRESSAVG: 405000 34.2309 19.8458 -64.257 19.8458 -39.8484 -21.1179 -64.2571 -21.1179 -15.1439 GPRESSAVG: 405000 34.6486 19.8485 -63.9071 19.4933 -40.663 -18.9247 -63.7087 -22.3375 -14.5826 TIMING: 405000 CPU: 1262.92, 0.00311426/step Wall: 1262.92, 0.00311426/step, 3.97501 hours remaining, 234.753906 MB of memory in use. ENERGY: 405000 3917.2609 20486.3424 14486.3425 237.3021 -202990.1923 2891.7830 0.0000 0.0000 52057.4901 -108913.6714 299.1751 -160971.1615 -108539.1479 299.4936 55.1935 82.8271 763850.9495 -6.9204 -6.8656 PRESSURE: 405200 -68.6578 54.7161 -49.4954 54.715 238.552 -192.963 -49.4956 -192.964 -314.375 GPRESSURE: 405200 34.683 -97.7227 -80.5119 112.269 246.708 -257.894 4.71162 -124.941 -330.244 PRESSAVG: 405200 9.97477 -33.083 -13.0707 -33.083 -10.6203 29.8183 -13.0707 29.8184 2.03457 GPRESSAVG: 405200 9.46344 -34.6371 -14.3757 -31.6137 -11.0367 29.1883 -13.3854 31.5262 1.83636 TIMING: 405200 CPU: 1263.54, 0.00311369/step Wall: 1263.54, 0.00311369/step, 3.9741 hours remaining, 234.753906 MB of memory in use. ENERGY: 405200 4011.1039 20402.2773 14442.1377 248.1083 -203003.0795 2857.9696 0.0000 0.0000 51968.6915 -109072.7911 298.6648 -161041.4827 -108703.4155 299.0744 -48.1601 -16.2844 764496.4933 0.4630 0.0877 PRESSURE: 405400 -15.0949 -243.377 -133.311 -243.377 -84.8391 -333.523 -133.31 -333.522 -340.779 GPRESSURE: 405400 -34.488 -128.468 -51.9702 -261.355 -34.8411 -216.041 -142.947 -192.242 -302.089 PRESSAVG: 405400 -37.0216 -38.654 -36.6769 -38.6541 25.311 -45.6203 -36.677 -45.6203 -5.90675 GPRESSAVG: 405400 -35.8612 -38.4094 -34.5624 -38.0839 24.0631 -44.834 -35.8737 -45.8299 -5.99872 TIMING: 405400 CPU: 1264.16, 0.00311049/step Wall: 1264.16, 0.00311049/step, 3.96985 hours remaining, 234.753906 MB of memory in use. ENERGY: 405400 4007.5244 20693.1837 14397.7308 244.8477 -203125.3954 2982.5099 0.0000 0.0000 51853.8649 -108945.7341 298.0049 -160799.5989 -108598.9855 299.0889 -146.9044 -123.8062 764945.0368 -5.8724 -5.9323 PRESSURE: 405600 309.329 -12.9188 128.738 -12.9184 136.57 274.412 128.738 274.412 138.023 GPRESSURE: 405600 328.404 73.0084 159.814 -54.2058 177.991 390.654 52.2323 150.732 156.5 PRESSAVG: 405600 -37.0795 7.41612 -13.8438 7.41616 23.9694 35.1519 -13.8437 35.1519 5.22081 GPRESSAVG: 405600 -36.7087 8.27053 -15.0534 5.6356 23.2478 34.1115 -13.8098 34.4445 5.03947 TIMING: 405600 CPU: 1264.79, 0.00312393/step Wall: 1264.79, 0.00312393/step, 3.98683 hours remaining, 234.753906 MB of memory in use. ENERGY: 405600 4068.6579 20582.3207 14367.6416 248.8320 -203307.6968 3218.0237 0.0000 0.0000 51886.7940 -108935.4270 298.1941 -160822.2211 -108571.9809 299.3849 194.6406 220.9647 765599.0623 -2.6298 -2.8072 PRESSURE: 405800 88.151 115.103 -126.059 115.102 -111.907 165.626 -126.06 165.626 -20.531 GPRESSURE: 405800 55.5809 1.23227 -102.908 166.02 -88.9907 177.999 -158.838 82.2216 75.2324 PRESSAVG: 405800 48.1619 8.91874 9.6272 8.91876 -19.4763 27.9291 9.62712 27.9292 13.3088 GPRESSAVG: 405800 47.4966 7.64902 9.3185 8.6086 -17.9725 28.5189 7.15321 26.9943 12.5901 TIMING: 405800 CPU: 1265.41, 0.0031265/step Wall: 1265.41, 0.0031265/step, 3.98993 hours remaining, 234.753906 MB of memory in use. ENERGY: 405800 4010.6224 20506.5146 14424.7126 256.5394 -202995.2671 2753.6365 0.0000 0.0000 52347.9341 -108695.3075 300.8443 -161043.2417 -108322.0770 299.3555 -14.7623 13.9409 765398.1703 13.9981 14.0381 PRESSURE: 406000 267.689 -256.091 -157.345 -256.092 215.391 36.5135 -157.345 36.513 -29.6096 GPRESSURE: 406000 343.683 -159.343 -206.795 -143.478 226.388 0.944507 -203.989 49.2484 -51.627 PRESSAVG: 406000 8.85086 -15.3298 -45.2596 -15.3298 -17.9686 30.0338 -45.2596 30.0338 21.7703 GPRESSAVG: 406000 9.2471 -12.9429 -43.6385 -13.1665 -17.0582 28.7904 -43.4937 31.0385 20.8577 TIMING: 406000 CPU: 1266.04, 0.00313414/step Wall: 1266.04, 0.00313414/step, 3.99951 hours remaining, 234.753906 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: 406000 4051.2963 20478.7233 14460.1649 257.1976 -203217.4349 3119.2444 0.0000 0.0000 52115.0942 -108735.7142 299.5062 -160850.8085 -108371.7732 299.5777 151.1569 172.8146 764656.1153 4.2175 4.3489 PRESSURE: 406200 -95.2095 -3.48615 137.447 -3.48601 60.0408 -107.853 137.447 -107.853 -202.549 GPRESSURE: 406200 -71.6422 -101.6 84.7228 -157.606 13.7603 -105.956 28.9779 -46.622 -79.281 PRESSAVG: 406200 29.8839 -5.35391 26.8571 -5.3539 -10.0037 -43.9929 26.8571 -43.9928 5.41009 GPRESSAVG: 406200 30.0519 -5.87424 27.2836 -7.13968 -11.1152 -42.4069 27.48 -42.0838 6.77805 TIMING: 406200 CPU: 1266.67, 0.00313849/step Wall: 1266.67, 0.00313849/step, 4.00489 hours remaining, 234.753906 MB of memory in use. ENERGY: 406200 3999.3876 20490.5240 14445.1121 248.1047 -202714.5647 2573.2347 0.0000 0.0000 52209.5227 -108748.6790 300.0488 -160958.2017 -108380.8109 299.6851 -79.2394 -45.7210 766177.6744 8.4301 8.5716 PRESSURE: 406400 -29.0442 -182.853 -77.7705 -182.853 230.411 -156.378 -77.7712 -156.379 -23.4064 GPRESSURE: 406400 -55.3799 -138.227 -49.5126 -171.803 319.024 -195.733 27.7026 -134.506 2.6599 PRESSAVG: 406400 -33.365 26.7416 -19.2169 26.7417 62.1147 24.5494 -19.2169 24.5494 1.70327 GPRESSAVG: 406400 -34.0762 24.6584 -19.9394 26.7512 62.8217 24.3049 -19.4683 22.6069 1.86612 TIMING: 406400 CPU: 1267.3, 0.00316683/step Wall: 1267.3, 0.00316683/step, 4.04088 hours remaining, 234.753906 MB of memory in use. ENERGY: 406400 3937.5775 20562.7344 14411.9776 238.5232 -203324.1128 3023.5876 0.0000 0.0000 52392.4844 -108757.2281 301.1003 -161149.7125 -108397.1668 299.4258 59.3202 88.7679 765161.0996 10.1510 10.2039 PRESSURE: 406600 221.905 -162.675 51.8924 -162.675 335.104 -63.0265 51.8923 -63.0272 166.559 GPRESSURE: 406600 184.533 -184.691 -18.9675 -48.2386 456.164 -128.95 66.1474 -72.6639 179.279 PRESSAVG: 406600 -41.266 -64.5784 -57.8538 -64.5785 26.7436 -25.0784 -57.8538 -25.0784 7.87045 GPRESSAVG: 406600 -41.5294 -62.4452 -56.7692 -63.7253 27.5617 -25.1583 -57.0457 -25.194 6.99771 TIMING: 406600 CPU: 1267.93, 0.00313366/step Wall: 1267.93, 0.00313366/step, 3.99838 hours remaining, 234.753906 MB of memory in use. ENERGY: 406600 3954.4124 20526.4908 14518.9099 257.8177 -203304.1478 3053.4814 0.0000 0.0000 52291.0919 -108701.9436 300.5176 -160993.0356 -108341.6655 299.5309 241.1892 273.3251 762660.4551 -2.2173 -2.3233 PRESSURE: 406800 -96.4487 160.178 -7.48478 160.178 228.083 -121.447 -7.48459 -121.448 10.6361 GPRESSURE: 406800 -43.9593 131.311 -37.2602 70.3676 251.407 -79.4324 39.8585 -104.114 -5.0909 PRESSAVG: 406800 -87.2507 -13.5738 -16.1171 -13.5737 66.2214 53.9404 -16.1172 53.9403 4.52924 GPRESSAVG: 406800 -87.6241 -15.1457 -16.0104 -14.3763 65.8903 55.8635 -17.7024 54.9021 5.43527 TIMING: 406800 CPU: 1268.55, 0.00313361/step Wall: 1268.55, 0.00313361/step, 3.99813 hours remaining, 234.753906 MB of memory in use. ENERGY: 406800 3967.0783 20276.5436 14463.6073 231.8885 -203207.1123 2978.6543 0.0000 0.0000 52301.2927 -108988.0476 300.5762 -161289.3403 -108616.3352 299.7166 47.4235 67.4522 764489.4568 -5.5000 -5.4328 PRESSURE: 407000 -274.425 -37.805 232.596 -37.8046 -278.556 -9.90946 232.596 -9.90983 -193.032 GPRESSURE: 407000 -200.943 58.2219 230.395 3.01288 -288.09 16.1847 43.8042 45.1134 -168.641 PRESSAVG: 407000 -45.9823 -15.3844 17.3388 -15.3844 82.9018 -0.922845 17.3389 -0.922877 23.4327 GPRESSAVG: 407000 -45.0754 -16.2838 15.2561 -16.8449 82.4101 -3.7437 17.2161 -0.0830439 23.0103 TIMING: 407000 CPU: 1269.18, 0.0031325/step Wall: 1269.18, 0.0031325/step, 3.99655 hours remaining, 234.753906 MB of memory in use. ENERGY: 407000 4023.2464 20408.8243 14513.6926 252.8509 -202876.0865 2631.2882 0.0000 0.0000 51897.9110 -109148.2731 298.2580 -161046.1841 -108770.4130 299.4785 -248.6709 -219.2246 765646.6176 20.1174 20.1150 PRESSURE: 407200 -525.613 20.4144 -101.779 20.4141 -210.955 83.899 -101.781 83.8989 -342.633 GPRESSURE: 407200 -461.021 75.7115 -40.9917 -107.055 -224.871 90.9291 -82.4963 24.3597 -339.522 PRESSAVG: 407200 -12.1878 -6.50254 26.2985 -6.50246 4.33442 -9.82615 26.2985 -9.82614 15.2725 GPRESSAVG: 407200 -10.7053 -2.7752 28.6207 -5.81485 3.55673 -10.1322 27.1725 -9.75767 14.9552 TIMING: 407200 CPU: 1269.81, 0.00315778/step Wall: 1269.81, 0.00315778/step, 4.02863 hours remaining, 234.753906 MB of memory in use. ENERGY: 407200 3988.8416 20595.9537 14519.0468 246.2122 -203204.5175 2634.2036 0.0000 0.0000 52043.4744 -109176.7851 299.0946 -161220.2595 -108806.1433 298.2950 -359.7340 -341.8051 764975.6790 2.4730 2.6022 PRESSURE: 407400 267.425 -44.6862 215.367 -44.686 128.394 124.887 215.367 124.888 -58.087 GPRESSURE: 407400 238.536 -328.814 154.015 101.527 266.161 72.393 105.38 82.6052 -80.8844 PRESSAVG: 407400 -59.7527 -27.1306 -21.7274 -27.1306 31.5422 -84.4989 -21.7274 -84.4988 -21.0453 GPRESSAVG: 407400 -60.2942 -32.6347 -22.6883 -26.7214 33.0974 -83.5514 -21.0703 -85.3014 -21.8875 TIMING: 407400 CPU: 1270.44, 0.0031267/step Wall: 1270.44, 0.0031267/step, 3.9888 hours remaining, 234.753906 MB of memory in use. ENERGY: 407400 4012.3813 20425.6945 14398.5585 239.0917 -203755.7767 3249.8797 0.0000 0.0000 52009.3550 -109420.8160 298.8985 -161430.1710 -109057.1969 298.9669 112.5774 141.2709 763060.6117 -16.4186 -16.3615 PRESSURE: 407600 60.683 -114.083 -177.82 -114.083 266.658 -189.536 -177.819 -189.536 -223.075 GPRESSURE: 407600 60.3535 -16.3433 -190.814 -193.972 270.817 -154.222 -131.039 -81.9613 -163.23 PRESSAVG: 407600 -18.8906 -33.1369 7.17314 -33.1369 -11.1121 5.35863 7.17306 5.35865 -16.7561 GPRESSAVG: 407600 -21.0199 -30.6415 7.79664 -33.0319 -10.9741 5.20179 10.24 5.98419 -15.6367 TIMING: 407600 CPU: 1271.06, 0.00310655/step Wall: 1271.06, 0.00310655/step, 3.96292 hours remaining, 234.753906 MB of memory in use. ENERGY: 407600 4017.0845 20447.1489 14419.9397 247.7850 -203378.5077 2909.7245 0.0000 0.0000 51789.5001 -109547.3249 297.6350 -161336.8251 -109171.2787 297.9307 34.7552 55.9802 764648.7677 -15.5863 -15.8769 PRESSURE: 407800 -6.4582 69.5078 298.229 69.5084 218.9 73.5592 298.23 73.5593 -71.9387 GPRESSURE: 407800 5.19256 97.4952 263.506 204.709 367.468 86.409 302.691 21.7091 -140.17 PRESSAVG: 407800 -33.3286 -60.1301 -20.9829 -60.13 -16.3719 22.5927 -20.9829 22.5928 10.8182 GPRESSAVG: 407800 -32.7472 -59.4832 -21.7889 -60.0623 -17.0613 21.5975 -23.8879 23.5725 10.6721 TIMING: 407800 CPU: 1271.69, 0.00313447/step Wall: 1271.69, 0.00313447/step, 3.99837 hours remaining, 234.753906 MB of memory in use. ENERGY: 407800 3996.3371 20449.7995 14433.4164 261.3845 -203625.0723 2985.5592 0.0000 0.0000 52019.9135 -109478.6620 298.9592 -161498.5756 -109118.3795 298.3041 46.8344 77.4969 764885.7261 -12.9608 -13.0455 PRESSURE: 408000 248.341 94.0299 -225.412 94.031 19.3955 -9.60386 -225.411 -9.60396 8.35134 GPRESSURE: 408000 343 66.135 -149.073 -4.15599 25.1817 57.1206 -57.6737 -9.68705 -8.80916 PRESSAVG: 408000 72.2425 4.18734 -2.94026 4.18731 -11.2018 6.35644 -2.94034 6.3564 4.47998 GPRESSAVG: 408000 71.6903 3.57205 -3.6772 2.7408 -11.1192 8.58964 -1.21614 2.77371 4.40771 TIMING: 408000 CPU: 1272.31, 0.00311859/step Wall: 1272.31, 0.00311859/step, 3.97793 hours remaining, 234.753906 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: 408000 3983.5215 20530.3064 14417.5303 250.8212 -203865.5729 3172.2013 0.0000 0.0000 52143.7648 -109367.4274 299.6709 -161511.1922 -109002.3002 298.5088 92.0293 119.7908 763472.3101 21.8402 21.6596 PRESSURE: 408200 -102.717 177.579 -66.6617 177.58 75.6991 -41.5189 -66.6613 -41.5196 140.392 GPRESSURE: 408200 -97.8665 233.384 -73.0832 116.734 167.276 -123.659 -148.759 -144.501 130.15 PRESSAVG: 408200 15.7803 -32.1814 -67.5193 -32.1814 -26.5554 59.8815 -67.5193 59.8815 14.7545 GPRESSAVG: 408200 16.6115 -33.1018 -65.6106 -30.955 -26.3115 58.1798 -68.1013 61.6443 13.5072 TIMING: 408200 CPU: 1272.93, 0.00310442/step Wall: 1272.93, 0.00310442/step, 3.95969 hours remaining, 234.753906 MB of memory in use. ENERGY: 408200 3981.7798 20602.1123 14428.1276 236.9002 -203519.8721 3165.6339 0.0000 0.0000 51905.9461 -109199.3722 298.3042 -161105.3183 -108838.8944 298.7711 37.7913 66.5197 766080.2673 1.3264 1.2691 LDB: ============= START OF LOAD BALANCING ============== 1285.41 LDB: ============== END OF LOAD BALANCING =============== 1285.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1285.41 LDB: ============= START OF LOAD BALANCING ============== 1285.72 LDB: Largest compute 7052 load 0.029612 is 15.2% of average load 0.194772 LDB: Average compute 0.004366 is 2.2% of average load 0.194772 LDB: TIME 1285.72 LOAD: AVG 0.194772 MAX 0.218112 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.242 MB LDB: TIME 1285.73 LOAD: AVG 0.194772 MAX 0.218112 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.242 MB LDB: TIME 1285.73 LOAD: AVG 0.194772 MAX 0.215604 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.242 MB LDB: ============== END OF LOAD BALANCING =============== 1285.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1285.73 PRESSURE: 408400 -428.039 1.28634 -362.858 1.28692 -192.267 56.0006 -362.858 56.0001 -2.04519 GPRESSURE: 408400 -328.776 -81.4483 -362.288 -23.9299 -102.069 23.1095 -224.818 35.9428 -94.7304 PRESSAVG: 408400 -15.4444 -37.9542 -23.4693 -37.9542 43.041 81.3118 -23.4693 81.3118 5.01811 GPRESSAVG: 408400 -15.6769 -36.9968 -24.8075 -38.5096 42.6069 81.1603 -23.2372 82.0542 5.50398 TIMING: 408400 CPU: 1273.57, 0.00317966/step Wall: 1273.57, 0.00317966/step, 4.05548 hours remaining, 234.042969 MB of memory in use. ENERGY: 408400 4023.8829 20404.1180 14360.2095 249.7165 -203092.4510 2944.3340 0.0000 0.0000 51878.3879 -109231.8022 298.1458 -161110.1901 -108870.9239 298.6956 -207.4504 -175.1919 766102.9218 10.8715 10.8113 PRESSURE: 408600 -83.2454 -90.2483 65.013 -90.2478 -256.84 -105.612 65.013 -105.61 -322.08 GPRESSURE: 408600 -165.279 -114.26 36.5453 -92.3547 -164.241 -77.5412 -36.1097 -228.275 -247.835 PRESSAVG: 408600 -44.7061 -35.9721 9.18405 -35.9722 46.3224 12.3415 9.18397 12.3414 19.8504 GPRESSAVG: 408600 -45.5144 -36.3738 8.52075 -36.938 47.1791 14.7666 9.93812 9.25694 19.8258 TIMING: 408600 CPU: 1274.19, 0.0031132/step Wall: 1274.19, 0.0031132/step, 3.97054 hours remaining, 234.042969 MB of memory in use. ENERGY: 408600 4052.6198 20408.9954 14375.2307 255.9342 -202959.2535 2628.8460 0.0000 0.0000 52113.7843 -109123.8431 299.4986 -161237.6274 -108754.5405 299.1035 -220.7217 -192.4518 764809.0233 7.1556 7.1635 PRESSURE: 408800 275.812 -46.5202 -42.6907 -46.5185 123.966 -196.045 -42.6912 -196.046 221.889 GPRESSURE: 408800 323.956 -73.6957 3.09469 -87.1653 153.512 -247.346 -75.8058 -111.05 204.364 PRESSAVG: 408800 14.1726 36.8025 -15.7457 36.8025 3.67816 6.99315 -15.7458 6.99307 -19.9349 GPRESSAVG: 408800 14.8745 36.4523 -13.0447 36.8191 2.82239 5.71798 -17.9794 9.97729 -19.8088 TIMING: 408800 CPU: 1274.81, 0.00310362/step Wall: 1274.81, 0.00310362/step, 3.95815 hours remaining, 234.042969 MB of memory in use. ENERGY: 408800 3927.2581 20612.9130 14426.4846 226.3070 -203107.6261 2879.7003 0.0000 0.0000 52117.2821 -108917.6809 299.5187 -161034.9630 -108555.7678 298.7774 207.2228 227.2771 764548.6698 -0.6947 -0.7040 PRESSURE: 409000 -128.908 113.303 -25.2163 113.302 -126.496 -129.024 -25.2173 -129.023 -83.1717 GPRESSURE: 409000 -77.3608 150.928 -13.584 105.411 -100.695 -127.249 -53.8147 -125.152 -78.9122 PRESSAVG: 409000 -90.0113 18.8974 48.5898 18.8974 64.0446 2.61065 48.5899 2.61069 -15.8515 GPRESSAVG: 409000 -89.7229 17.5652 46.7241 19.7579 63.4016 2.34464 49.8399 2.35666 -15.8448 TIMING: 409000 CPU: 1275.43, 0.00310369/step Wall: 1275.43, 0.00310369/step, 3.95807 hours remaining, 234.042969 MB of memory in use. ENERGY: 409000 3926.0625 20559.8564 14407.1615 258.8605 -202868.1093 2780.1993 0.0000 0.0000 52111.2080 -108824.7610 299.4838 -160935.9690 -108468.6873 299.4923 -112.8588 -85.6562 765809.1086 -13.9394 -14.0554 PRESSURE: 409200 144.706 178.519 74.7242 178.519 316.956 96.0867 74.723 96.0859 -24.5171 GPRESSURE: 409200 188.133 82.5848 9.98668 234.77 314.235 129.157 7.74351 87.6321 18.1555 PRESSAVG: 409200 -24.2657 45.909 25.2183 45.9091 26.8026 -47.3769 25.2183 -47.3768 6.73473 GPRESSAVG: 409200 -24.7705 48.9612 25.836 45.065 27.0177 -46.6546 24.958 -47.7954 6.99268 TIMING: 409200 CPU: 1276.05, 0.00310651/step Wall: 1276.05, 0.00310651/step, 3.96149 hours remaining, 234.042969 MB of memory in use. ENERGY: 409200 4026.0917 20472.0923 14427.1419 257.0173 -203219.6910 3156.7982 0.0000 0.0000 52066.0081 -108814.5414 299.2241 -160880.5495 -108457.4172 299.5614 145.7150 173.5075 763449.5640 3.0905 3.0800 PRESSURE: 409400 -259.175 182.327 124.563 182.329 -290.399 258.661 124.563 258.66 -74.3206 GPRESSURE: 409400 -212.25 97.9198 110.192 93.9269 -279.006 293.037 144.808 316.172 -66.616 PRESSAVG: 409400 -3.47896 8.79122 16.1629 8.79125 17.8382 18.5699 16.163 18.5699 -4.96053 GPRESSAVG: 409400 -3.17551 5.87674 16.487 9.38502 19.4936 17.4604 16.3685 20.701 -6.70039 TIMING: 409400 CPU: 1276.68, 0.003121/step Wall: 1276.68, 0.003121/step, 3.9798 hours remaining, 234.042969 MB of memory in use. ENERGY: 409400 3971.5221 20583.6587 14376.7243 259.2309 -202825.9975 2868.9004 0.0000 0.0000 52067.2719 -108698.6892 299.2313 -160765.9611 -108336.2966 299.7992 -207.9649 -185.9573 765543.0879 3.1329 3.2059 PRESSURE: 409600 65.5369 312.382 -113.92 312.382 244.073 -276.887 -113.92 -276.888 -125.053 GPRESSURE: 409600 119.999 291.824 -156.523 151.054 210.079 -241.404 -105.766 -147.108 -54.2635 PRESSAVG: 409600 -51.7645 72.6269 24.5042 72.6268 23.2132 -50.4557 24.5042 -50.4557 -16.6122 GPRESSAVG: 409600 -52.8396 74.8095 24.9775 72.0016 23.0934 -49.9991 25.0129 -52.41 -14.7745 TIMING: 409600 CPU: 1277.3, 0.00310005/step Wall: 1277.3, 0.00310006/step, 3.95291 hours remaining, 234.042969 MB of memory in use. ENERGY: 409600 3995.6854 20432.3471 14503.6921 261.1598 -203283.2221 3156.3563 0.0000 0.0000 52302.9879 -108630.9935 300.5860 -160933.9815 -108260.4967 300.0588 61.5190 91.9381 764245.5241 -15.0545 -14.8402 PRESSURE: 409800 85.01 67.056 -121.555 67.0563 -362.368 -45.0463 -121.554 -45.0472 59.6929 GPRESSURE: 409800 70.423 117.533 -102.096 -7.42432 -253.496 12.7439 -257.53 -108.923 32.9906 PRESSAVG: 409800 -30.8487 -9.72205 18.3058 -9.72198 29.5756 -48.5889 18.3058 -48.5889 27.6904 GPRESSAVG: 409800 -30.127 -10.5495 16.8376 -9.38528 29.0891 -48.4195 14.8935 -50.2358 27.0333 TIMING: 409800 CPU: 1277.93, 0.00314517/step Wall: 1277.93, 0.00314517/step, 4.01026 hours remaining, 234.042969 MB of memory in use. ENERGY: 409800 4020.0833 20706.0874 14437.5636 258.8179 -202898.3108 2747.9146 0.0000 0.0000 52130.2703 -108597.5737 299.5934 -160727.8440 -108230.6605 300.3068 -72.5551 -50.0275 765922.9997 8.8058 8.6651 PRESSURE: 410000 178.208 30.1605 -289.567 30.1609 -232.04 16.0177 -289.567 16.0181 -323.893 GPRESSURE: 410000 228.298 161.739 -201.959 34.5613 -142.856 81.9426 -258.054 -45.8067 -364.622 PRESSAVG: 410000 -10.8341 -29.4385 -22.9938 -29.4385 -11.8588 1.9488 -22.9938 1.94888 -4.63345 GPRESSAVG: 410000 -9.57619 -30.2551 -21.4386 -30.0922 -11.9016 2.3071 -19.3316 3.48474 -6.12553 TIMING: 410000 CPU: 1278.55, 0.00313506/step Wall: 1278.55, 0.00313506/step, 3.99721 hours remaining, 234.042969 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: 410000 4002.7479 20722.9408 14414.8751 244.3171 -203142.6504 2667.8608 0.0000 0.0000 52393.7728 -108696.1359 301.1077 -161089.9087 -108325.9873 299.9398 -125.9085 -93.0601 762428.9716 -9.1088 -9.2011 PRESSURE: 410200 -101.146 23.5572 78.571 23.5571 324.222 -20.5731 78.5714 -20.5744 -113.04 GPRESSURE: 410200 -93.2913 -2.89918 84.3504 -22.1184 377.934 -92.8252 -18.5824 -46.9991 -76.587 PRESSAVG: 410200 -6.58298 -16.8552 -28.5875 -16.8552 32.0726 -11.9652 -28.5876 -11.9653 -23.9812 GPRESSAVG: 410200 -6.83587 -15.5075 -27.8635 -15.2861 31.2883 -11.7534 -32.228 -10.7526 -22.6123 TIMING: 410200 CPU: 1279.18, 0.00311804/step Wall: 1279.18, 0.00311804/step, 3.97533 hours remaining, 234.042969 MB of memory in use. ENERGY: 410200 3955.6626 20613.2950 14338.5945 256.4477 -203030.1572 2752.5914 0.0000 0.0000 52459.6274 -108653.9387 301.4862 -161113.5661 -108305.1898 300.3785 36.6785 69.3521 762855.9423 0.5028 0.6134 PRESSURE: 410400 -72.5396 132.131 195.763 132.133 129.485 37.8667 195.764 37.8654 133.436 GPRESSURE: 410400 6.88272 159.45 161.254 15.2892 224.246 95.1984 216.724 130.125 50.4424 PRESSAVG: 410400 34.8819 -25.5633 -57.4776 -25.5633 -1.89177 -0.457932 -57.4776 -0.457995 -4.51962 GPRESSAVG: 410400 35.3887 -27.4516 -59.2229 -26.8731 -2.53953 -0.167464 -54.7515 -2.07124 -4.20523 TIMING: 410400 CPU: 1279.8, 0.00309711/step Wall: 1279.8, 0.00309711/step, 3.94847 hours remaining, 234.042969 MB of memory in use. ENERGY: 410400 3976.7363 20647.5028 14384.7814 240.1550 -202567.8209 2644.0245 0.0000 0.0000 52076.9571 -108597.6638 299.2870 -160674.6209 -108233.6593 300.3438 63.4605 93.8571 764389.0625 9.4902 9.5480 PRESSURE: 410600 -9.12534 -153.683 -58.3675 -153.683 -103.401 96.2069 -58.3675 96.2076 489.906 GPRESSURE: 410600 38.6573 -111.744 -43.5064 -137.395 -29.7879 -33.8572 -129.015 72.4526 453.05 PRESSAVG: 410600 5.27583 -57.751 -21.4148 -57.751 4.147 -17.6864 -21.4148 -17.6864 -4.87712 GPRESSAVG: 410600 3.9712 -56.119 -21.7977 -57.065 6.0491 -18.0202 -21.8226 -18.006 -5.87041 TIMING: 410600 CPU: 1280.42, 0.00310389/step Wall: 1280.42, 0.00310389/step, 3.95694 hours remaining, 234.042969 MB of memory in use. ENERGY: 410600 3942.7197 20565.9630 14378.1879 224.4804 -202748.0692 2691.4972 0.0000 0.0000 52281.0133 -108664.2076 300.4597 -160945.2210 -108302.9572 299.9295 125.7933 153.9730 762483.6781 1.5152 1.3833 PRESSURE: 410800 -89.0451 -45.4852 -149.937 -45.4851 -181.673 138.667 -149.937 138.667 14.5762 GPRESSURE: 410800 -35.6085 -117.508 -162.561 -1.02605 -173.795 92.7571 -71.5546 129.799 27.4665 PRESSAVG: 410800 -13.3495 12.0143 -38.6347 12.0144 36.9796 -7.53325 -38.6347 -7.5332 -32.899 GPRESSAVG: 410800 -12.9608 12.0566 -39.0389 12.0622 35.498 -6.75172 -35.3937 -8.59345 -31.3389 TIMING: 410800 CPU: 1281.04, 0.00311492/step Wall: 1281.04, 0.00311492/step, 3.97083 hours remaining, 234.042969 MB of memory in use. ENERGY: 410800 4003.3136 20456.7259 14372.7958 252.6790 -203045.7513 2879.6131 0.0000 0.0000 52357.2822 -108723.3418 300.8980 -161080.6240 -108351.8373 299.5997 -85.3806 -60.6456 763780.5866 -3.0896 -2.9339 PRESSURE: 411000 122.327 210.405 202.958 210.406 -184.887 45.3413 202.957 45.3407 33.5655 GPRESSURE: 411000 209.111 27.41 168.363 187.429 -100.909 -5.40498 157.137 25.6348 -32.1968 PRESSAVG: 411000 45.6166 -62.1658 2.39943 -62.1659 -42.7352 31.0848 2.3994 31.0848 36.8586 GPRESSAVG: 411000 46.8031 -61.6307 3.72151 -60.7072 -43.0591 29.8994 1.5815 31.4965 36.1167 TIMING: 411000 CPU: 1281.66, 0.00312323/step Wall: 1281.66, 0.00312323/step, 3.98124 hours remaining, 234.042969 MB of memory in use. ENERGY: 411000 4008.1927 20581.5595 14445.8553 256.6795 -203079.5373 2991.1454 0.0000 0.0000 52121.5988 -108674.5062 299.5435 -160796.1050 -108307.0096 299.9793 -9.6648 25.3353 764298.1297 13.2467 13.2869 PRESSURE: 411200 -196.486 -26.1222 156.185 -26.122 -42.3414 -3.48303 156.185 -3.48311 15.028 GPRESSURE: 411200 -174.273 -31.8393 202.772 -59.6056 50.3406 -51.2499 85.5681 16.356 0.473691 PRESSAVG: 411200 6.91467 -19.5889 14.1109 -19.5889 -64.863 -58.612 14.1109 -58.612 -0.823054 GPRESSAVG: 411200 5.93781 -22.0886 12.8581 -20.5174 -62.8096 -58.0896 15.9738 -57.9729 -1.94415 TIMING: 411200 CPU: 1282.29, 0.00311081/step Wall: 1282.29, 0.00311081/step, 3.96524 hours remaining, 234.042969 MB of memory in use. ENERGY: 411200 4093.7029 20521.0625 14564.2915 263.9350 -203193.1701 3075.9127 0.0000 0.0000 52157.2572 -108517.0082 299.7485 -160674.2655 -108152.6543 299.8740 -74.5997 -41.1530 767660.1221 -19.5905 -19.6053 PRESSURE: 411400 131.684 -129.221 -247.302 -129.221 117.31 206.778 -247.301 206.779 -94.0216 GPRESSURE: 411400 244.289 -141.61 -192.5 -244.397 68.8478 221.262 -267.913 121.756 -66.2121 PRESSAVG: 411400 30.5252 -8.44149 23.1962 -8.4415 -21.287 6.43422 23.1962 6.43417 18.5411 GPRESSAVG: 411400 31.5937 -7.86004 24.8977 -7.71391 -23.1216 6.91177 18.2418 4.46708 19.0763 TIMING: 411400 CPU: 1282.91, 0.00312527/step Wall: 1282.91, 0.00312527/step, 3.9835 hours remaining, 234.042969 MB of memory in use. ENERGY: 411400 4016.4913 20532.9089 14485.2128 253.7400 -203026.2181 3079.5239 0.0000 0.0000 52096.6698 -108561.6715 299.4003 -160658.3412 -108198.0107 299.7650 51.6574 82.3083 763973.9875 9.2598 9.1828 PRESSURE: 411600 216.907 35.7003 -389.164 35.6994 204.109 -119.279 -389.165 -119.279 458.481 GPRESSURE: 411600 268.63 69.8688 -408.59 52.2071 213.429 -98.9529 -170.754 -45.7306 479.047 PRESSAVG: 411600 -15.1126 15.6305 9.1899 15.6306 -35.3376 -8.31747 9.1899 -8.31759 -9.05273 GPRESSAVG: 411600 -14.9123 15.966 8.40954 15.7173 -35.0702 -8.37268 13.1247 -6.19606 -9.84256 TIMING: 411600 CPU: 1283.53, 0.00311324/step Wall: 1283.53, 0.00311324/step, 3.968 hours remaining, 234.042969 MB of memory in use. ENERGY: 411600 4032.5421 20630.1941 14439.4618 253.2252 -202992.4437 2982.1257 0.0000 0.0000 52201.8699 -108453.0250 300.0049 -160654.8949 -108100.5933 300.0004 293.1657 320.3685 764476.0331 -19.8343 -19.9417 PRESSURE: 411800 58.4009 -26.5797 -160.296 -26.5799 132.925 329.659 -160.295 329.658 -310.818 GPRESSURE: 411800 42.5387 115.713 -144.645 51.2111 172.285 300.671 -217.979 228.769 -264.275 PRESSAVG: 411800 17.3118 54.9486 -34.1944 54.9486 25.1852 50.9513 -34.1944 50.9512 -14.4032 GPRESSAVG: 411800 15.7767 55.9168 -33.8551 53.9498 25.7724 51.2247 -35.9678 49.5794 -13.0095 TIMING: 411800 CPU: 1284.16, 0.00311369/step Wall: 1284.16, 0.00311369/step, 3.9684 hours remaining, 234.042969 MB of memory in use. ENERGY: 411800 4001.7226 20654.6463 14418.5570 245.3245 -202817.6422 2678.3224 0.0000 0.0000 52320.6151 -108498.4544 300.6873 -160819.0694 -108132.1053 300.4179 -39.8306 -16.4840 763082.5181 9.3646 9.5132 PRESSURE: 412000 304.223 -16.2325 258.349 -16.233 -12.5133 12.1916 258.348 12.192 -263.37 GPRESSURE: 412000 345.675 19.189 273.915 -74.0686 -32.9803 -12 171.975 -18.8853 -205.329 PRESSAVG: 412000 -15.9355 28.5615 -18.0445 28.5615 11.1279 13.305 -18.0446 13.3051 3.34847 GPRESSAVG: 412000 -15.1338 28.1044 -18.6015 27.7851 10.3948 11.1848 -20.7528 15.7857 3.16882 TIMING: 412000 CPU: 1284.78, 0.00311438/step Wall: 1284.78, 0.00311438/step, 3.9691 hours remaining, 234.042969 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: 412000 4013.5279 20514.8082 14511.4022 251.8652 -202612.4353 2663.8680 0.0000 0.0000 52224.7891 -108432.1748 300.1366 -160656.9639 -108080.2891 300.2983 9.4467 35.7885 765260.0101 -0.4864 -0.5234 PRESSURE: 412200 47.7218 21.0494 139.485 21.0495 -92.489 23.7428 139.485 23.7434 138.584 GPRESSURE: 412200 16.3521 -24.5023 -13.6388 -14.3516 -72.139 0.198199 157.898 -96.1271 241.104 PRESSAVG: 412200 -61.8961 57.0935 -40.689 57.0935 46.4179 -43.288 -40.689 -43.288 -14.3412 GPRESSAVG: 412200 -62.6827 55.3473 -39.4331 57.8676 46.4 -41.6816 -37.6536 -45.9323 -13.407 TIMING: 412200 CPU: 1285.4, 0.00310604/step Wall: 1285.4, 0.00310604/step, 3.95831 hours remaining, 234.042969 MB of memory in use. ENERGY: 412200 3983.0073 20453.3236 14553.2522 233.7574 -202692.0006 2701.6784 0.0000 0.0000 52123.0797 -108643.9020 299.5521 -160766.9816 -108280.6393 299.8754 31.2721 61.7722 765055.2547 -9.9398 -9.8965 LDB: ============= START OF LOAD BALANCING ============== 1297.88 LDB: ============== END OF LOAD BALANCING =============== 1297.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1297.88 LDB: ============= START OF LOAD BALANCING ============== 1298.19 LDB: Largest compute 7052 load 0.030650 is 15.7% of average load 0.194905 LDB: Average compute 0.004388 is 2.3% of average load 0.194905 LDB: TIME 1298.2 LOAD: AVG 0.194905 MAX 0.219286 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.043 MB LDB: TIME 1298.2 LOAD: AVG 0.194905 MAX 0.219286 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.043 MB LDB: TIME 1298.2 LOAD: AVG 0.194905 MAX 0.214862 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.043 MB LDB: ============== END OF LOAD BALANCING =============== 1298.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1298.2 PRESSURE: 412400 233.055 71.4484 -143.767 71.448 -150.598 203.247 -143.767 203.246 -97.2347 GPRESSURE: 412400 218.809 58.0663 -105.416 15.0438 -67.3363 172.781 -147.971 117.18 -101.221 PRESSAVG: 412400 -26.8489 -13.5069 -15.2194 -13.507 25.3911 47.6459 -15.2194 47.6459 -2.36595 GPRESSAVG: 412400 -26.4769 -11.6954 -15.9753 -15.0094 25.5984 46.9992 -15.6987 48.6487 -2.91543 TIMING: 412400 CPU: 1286.04, 0.00318802/step Wall: 1286.04, 0.00318802/step, 4.0626 hours remaining, 234.246094 MB of memory in use. ENERGY: 412400 3927.8020 20705.9377 14587.2109 247.7853 -203172.6198 2758.9924 0.0000 0.0000 52326.1649 -108618.7267 300.7192 -160944.8916 -108255.2058 299.7151 -4.9258 16.7506 764828.4880 -1.2746 -1.2646 PRESSURE: 412600 38.0178 5.27118 -54.8387 5.27075 267.274 -110.444 -54.8394 -110.445 66.1206 GPRESSURE: 412600 45.0476 32.5496 -30.0404 144.955 245.668 -41.52 -149.439 -50.0436 180.211 PRESSAVG: 412600 -39.732 -24.0322 -1.7998 -24.0322 15.6855 11.8814 -1.79978 11.8814 19.8533 GPRESSAVG: 412600 -39.8256 -25.8981 -0.386191 -22.9946 14.9647 13.0757 -1.17229 12.0215 20.5047 TIMING: 412600 CPU: 1286.66, 0.00311547/step Wall: 1286.66, 0.00311547/step, 3.96997 hours remaining, 234.449219 MB of memory in use. ENERGY: 412600 3956.6545 20394.3581 14468.6457 263.9527 -203413.9345 3418.2812 0.0000 0.0000 52065.2130 -108846.8294 299.2195 -160912.0423 -108475.4020 299.5531 123.8041 156.9756 763590.4124 -1.3977 -1.4520 PRESSURE: 412800 97.7925 -100.533 -228.468 -100.534 209.513 -202.831 -228.468 -202.831 70.1658 GPRESSURE: 412800 140.586 -1.14366 -216.42 -137.895 239.345 -124.501 -278.576 -156.346 74.1473 PRESSAVG: 412800 -43.3071 -33.1625 -39.2848 -33.1625 37.027 -7.16124 -39.2848 -7.16114 -31.6648 GPRESSAVG: 412800 -44.198 -32.5386 -41.5087 -33.2224 37.9441 -8.04268 -39.1079 -7.53315 -31.6527 TIMING: 412800 CPU: 1287.28, 0.00311251/step Wall: 1287.28, 0.00311251/step, 3.96604 hours remaining, 234.449219 MB of memory in use. ENERGY: 412800 3957.4575 20501.5213 14421.3821 242.2690 -203226.8477 2940.9848 0.0000 0.0000 52165.1128 -108998.1202 299.7936 -161163.2330 -108636.5878 299.5102 125.8239 151.3595 764097.1986 -12.6483 -12.6355 PRESSURE: 413000 -15.3215 -184.985 94.411 -184.984 -96.3546 -182.95 94.4109 -182.95 -273.786 GPRESSURE: 413000 -17.8628 -210.558 189.938 -249.341 7.64093 -163.032 144.219 -154.479 -260.004 PRESSAVG: 413000 9.53263 -22.3237 -35.1578 -22.3237 33.1902 -81.9045 -35.1578 -81.9045 -11.1999 GPRESSAVG: 413000 10.3775 -22.2756 -34.685 -21.2938 33.838 -82.35 -34.8117 -82.736 -12.6139 TIMING: 413000 CPU: 1287.9, 0.00309836/step Wall: 1287.9, 0.00309836/step, 3.94782 hours remaining, 234.449219 MB of memory in use. ENERGY: 413000 4062.4386 20380.9080 14490.5273 274.6763 -203220.5013 3014.2285 0.0000 0.0000 51930.2488 -109067.4738 298.4439 -160997.7226 -108706.9119 299.1186 -128.4875 -90.0753 763762.2123 10.5077 10.5339 PRESSURE: 413200 208.538 -88.7224 -59.1834 -88.7235 180.732 145.149 -59.1834 145.149 215.015 GPRESSURE: 413200 252.283 -110.61 19.0326 -4.97567 186.996 205.009 -63.9373 110.608 261.817 PRESSAVG: 413200 2.29985 7.83748 -83.5343 7.83736 -1.7318 -21.1944 -83.5342 -21.1944 5.73566 GPRESSAVG: 413200 2.16423 8.56529 -82.0831 5.77823 -1.44926 -20.3245 -85.2078 -21.4096 5.41997 TIMING: 413200 CPU: 1288.52, 0.00310255/step Wall: 1288.52, 0.00310255/step, 3.953 hours remaining, 234.449219 MB of memory in use. ENERGY: 413200 4026.9075 20410.5693 14441.3580 241.1864 -203499.3382 3245.6440 0.0000 0.0000 51964.6760 -109168.9969 298.6417 -161133.6730 -108804.7703 299.0616 201.4284 233.6988 764498.8059 2.1012 2.0450 PRESSURE: 413400 113.304 94.4613 74.1851 94.46 189.212 144.08 74.1854 144.08 38.7938 GPRESSURE: 413400 181.956 15.7204 -10.7722 109.437 140.554 195.352 23.2211 47.402 82.5583 PRESSAVG: 413400 14.9712 -10.5046 -6.31988 -10.5046 -39.1125 -3.62299 -6.31993 -3.62294 -22.6331 GPRESSAVG: 413400 15.8211 -10.5822 -6.6188 -8.80714 -40.2861 -3.97746 -5.1011 -2.43365 -22.2694 TIMING: 413400 CPU: 1289.15, 0.00311321/step Wall: 1289.15, 0.00311321/step, 3.96641 hours remaining, 234.449219 MB of memory in use. ENERGY: 413400 3966.0775 20575.6821 14480.3838 230.5202 -203330.8938 2990.4047 0.0000 0.0000 52111.0789 -108976.7464 299.4831 -161087.8253 -108620.4641 299.0825 113.7697 135.0226 764271.0663 -15.5915 -15.5781 PRESSURE: 413600 126.904 -59.0961 33.9318 -59.0963 184.768 -33.0068 33.9322 -33.0081 369.214 GPRESSURE: 413600 95.8095 -8.98162 77.0957 -23.0652 283.173 38.4397 12.2417 -50.5296 368.693 PRESSAVG: 413600 -26.3245 -32.6873 39.2 -32.6873 -38.1133 9.38481 39.2 9.38479 -2.31518 GPRESSAVG: 413600 -27.1911 -32.1958 39.4612 -34.0117 -37.2139 9.38341 40.1229 8.51837 -2.78711 TIMING: 413600 CPU: 1289.77, 0.00310608/step Wall: 1289.77, 0.00310608/step, 3.95715 hours remaining, 234.449219 MB of memory in use. ENERGY: 413600 3998.3107 20496.4467 14408.5028 251.9765 -203613.8553 3388.7603 0.0000 0.0000 51991.7184 -109078.1400 298.7971 -161069.8584 -108709.4209 298.9031 226.9619 249.2253 765217.9386 -22.2510 -22.3973 PRESSURE: 413800 181.543 220.629 69.2413 220.63 53.7803 -62.328 69.2413 -62.3285 396.787 GPRESSURE: 413800 254.09 198.621 -29.078 125.076 109.248 72.8342 53.6319 -113.724 362.507 PRESSAVG: 413800 58.1944 -19.7713 -26.9951 -19.7714 -24.9708 26.9769 -26.9951 26.9769 12.3567 GPRESSAVG: 413800 58.5754 -19.5239 -27.6128 -18.6312 -25.1949 27.7784 -28.247 26.8977 12.6553 TIMING: 413800 CPU: 1290.39, 0.00310653/step Wall: 1290.39, 0.00310653/step, 3.95755 hours remaining, 234.449219 MB of memory in use. ENERGY: 413800 3923.8206 20476.7058 14450.2329 249.1344 -203316.5369 2931.8413 0.0000 0.0000 51991.4800 -109293.3220 298.7957 -161284.8020 -108919.6237 298.8497 210.7034 241.9479 764499.7376 15.1934 15.3453 PRESSURE: 414000 -36.6017 123.817 -215.862 123.816 17.0011 -107.106 -215.862 -107.106 -52.4715 GPRESSURE: 414000 86.3062 112.659 -227.594 163.02 -40.0844 -15.4252 -157.23 -112.21 -63.3689 PRESSAVG: 414000 42.4179 -63.8752 -27.3792 -63.8752 -50.1364 20.1054 -27.3792 20.1054 -12.496 GPRESSAVG: 414000 41.951 -63.6945 -27.6923 -65.6274 -51.0159 20.289 -28.6258 18.8833 -12.1346 TIMING: 414000 CPU: 1291.01, 0.00310577/step Wall: 1291.01, 0.00310577/step, 3.95641 hours remaining, 234.449219 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: 414000 3957.0827 20641.6919 14514.2233 262.8862 -203194.8475 2805.8889 0.0000 0.0000 51865.5588 -109147.5156 298.0721 -161013.0744 -108782.7234 298.8291 -24.0240 -5.7157 764239.8717 -6.7382 -7.0665 PRESSURE: 414200 317.804 14.8537 35.9142 14.8536 -290.35 -31.276 35.9141 -31.2752 -88.4854 GPRESSURE: 414200 299.304 2.43795 25.2493 51.9895 -229.978 28.2127 156.898 -84.287 -53.5692 PRESSAVG: 414200 9.73453 -66.7173 -8.91254 -66.7173 -40.3064 -36.1974 -8.91265 -36.1975 4.58139 GPRESSAVG: 414200 9.82909 -68.9938 -8.94274 -66.2211 -40.3209 -36.6026 -7.31284 -35.8915 4.59695 TIMING: 414200 CPU: 1291.63, 0.00310049/step Wall: 1291.63, 0.00310049/step, 3.94951 hours remaining, 234.449219 MB of memory in use. ENERGY: 414200 4004.7898 20615.3495 14459.6955 246.5253 -203565.8159 3002.0596 0.0000 0.0000 52189.6978 -109047.6983 299.9349 -161237.3961 -108685.0040 299.1850 -20.3438 5.2522 764179.9335 -8.6635 -8.6316 PRESSURE: 414400 218.362 -177.555 49.4161 -177.554 8.3517 -158.31 49.4157 -158.311 277.815 GPRESSURE: 414400 105.933 -63.2206 59.6072 -243.631 163.62 -235.761 25.4466 -44.1211 297.714 PRESSAVG: 414400 -5.87712 -36.659 -27.2346 -36.6589 -5.19852 -18.3646 -27.2346 -18.3646 34.5162 GPRESSAVG: 414400 -6.17405 -34.8578 -28.0684 -37.3906 -4.80346 -17.491 -27.2737 -16.5456 33.964 TIMING: 414400 CPU: 1292.25, 0.0031132/step Wall: 1292.25, 0.0031132/step, 3.96553 hours remaining, 234.449219 MB of memory in use. ENERGY: 414400 4026.3028 20629.4458 14479.9326 281.6932 -203559.6589 3031.7659 0.0000 0.0000 52032.6359 -109077.8827 299.0323 -161110.5186 -108705.5355 299.4332 168.1760 189.0890 764173.9276 7.8135 7.6622 PRESSURE: 414600 -72.8762 -275.823 132.14 -275.823 -92.9273 91.3345 132.139 91.3337 -271.379 GPRESSURE: 414600 -96.6027 -248.903 116.865 -375.75 47.4306 104.416 147.126 56.7918 -320.368 PRESSAVG: 414600 8.99002 -106.854 -27.8015 -106.854 -6.36288 35.726 -27.8014 35.726 -0.25972 GPRESSAVG: 414600 9.31489 -107.792 -27.3902 -104.818 -6.07645 34.6973 -25.9004 33.1555 -0.553297 TIMING: 414600 CPU: 1292.88, 0.00311216/step Wall: 1292.88, 0.00311216/step, 3.96402 hours remaining, 234.449219 MB of memory in use. ENERGY: 414600 3917.5280 20571.1255 14311.5966 250.0777 -203045.9102 2623.8743 0.0000 0.0000 52089.9374 -109281.7707 299.3616 -161371.7081 -108913.7903 299.2342 -145.7276 -123.1802 764339.4679 0.7891 0.8950 PRESSURE: 414800 -272.919 -159.94 28.8344 -159.938 -90.8101 -37.1883 28.8339 -37.1889 -77.1295 GPRESSURE: 414800 -173.818 -28.7899 28.1205 -170.446 -129.606 -180.725 -39.4432 122.911 -54.2307 PRESSAVG: 414800 -37.5406 0.345623 16.2393 0.345632 12.4366 -8.73179 16.2394 -8.7318 -16.9175 GPRESSAVG: 414800 -36.9616 0.114736 17.7891 0.0506036 12.3144 -8.68517 13.7713 -7.7646 -17.1852 TIMING: 414800 CPU: 1293.5, 0.00310804/step Wall: 1293.5, 0.00310804/step, 3.95861 hours remaining, 234.449219 MB of memory in use. ENERGY: 414800 3970.4814 20564.3717 14463.1463 220.4587 -202941.6518 2694.6439 0.0000 0.0000 52006.4618 -109022.0880 298.8819 -161028.5498 -108659.1933 298.6928 -146.9529 -119.2182 763114.1466 -14.0071 -13.9441 PRESSURE: 415000 43.0311 -62.4661 211.647 -62.4668 -215.626 -99.1972 211.647 -99.1968 251.476 GPRESSURE: 415000 83.1233 -35.8937 105.985 6.88934 -125.434 -177.986 116.204 -172.532 197.471 PRESSAVG: 415000 -6.2333 -84.9494 -17.6636 -84.9495 19.2335 52.3626 -17.6636 52.3626 -13.2728 GPRESSAVG: 415000 -7.42221 -84.2889 -18.6691 -84.5883 19.195 52.9923 -18.5033 52.5815 -11.875 TIMING: 415000 CPU: 1294.12, 0.0031024/step Wall: 1294.12, 0.0031024/step, 3.95126 hours remaining, 234.449219 MB of memory in use. ENERGY: 415000 3962.8788 20414.1008 14507.9563 229.6840 -203331.6871 3016.4351 0.0000 0.0000 52240.4561 -108960.1761 300.2266 -161200.6321 -108588.8924 299.5922 26.2938 51.7200 762758.4563 -0.0909 -0.0341 PRESSURE: 415200 -89.2252 86.9115 -60.9786 86.9122 -429.274 -42.497 -60.9788 -42.4973 -469.403 GPRESSURE: 415200 -27.4402 40.1098 -66.8071 66.3219 -416.408 -37.2967 -62.6237 -87.5514 -444.094 PRESSAVG: 415200 -22.5537 20.2984 6.77922 20.2984 1.36423 19.9338 6.77921 19.9339 17.3843 GPRESSAVG: 415200 -21.5623 21.5724 8.02354 19.7796 1.24248 19.205 7.92815 19.2888 16.6203 TIMING: 415200 CPU: 1294.74, 0.00310216/step Wall: 1294.74, 0.00310216/step, 3.95078 hours remaining, 234.449219 MB of memory in use. ENERGY: 415200 3989.1137 20595.5899 14474.6643 243.7865 -202883.1148 2568.5526 0.0000 0.0000 52137.1325 -108874.2753 299.6328 -161011.4078 -108522.3025 299.8999 -329.3009 -295.9807 763469.4244 -1.2684 -1.2332 PRESSURE: 415400 -312.67 83.0876 45.9081 83.088 -119.976 -132.901 45.9085 -132.901 63.3958 GPRESSURE: 415400 -292.111 60.7937 32.3055 92.7468 -116.119 -87.6557 -77.6907 17.5698 110.183 PRESSAVG: 415400 26.0599 14.0504 -5.17236 14.0505 -33.0159 65.7898 -5.17237 65.7898 -12.4649 GPRESSAVG: 415400 26.5549 12.3326 -7.48754 13.8403 -34.8288 65.7434 -3.36727 67.3538 -10.784 TIMING: 415400 CPU: 1295.36, 0.00313124/step Wall: 1295.36, 0.00313124/step, 3.98763 hours remaining, 234.449219 MB of memory in use. ENERGY: 415400 3989.4363 20614.3491 14456.8581 243.2396 -203247.5106 2856.0775 0.0000 0.0000 52186.9907 -108900.5593 299.9194 -161087.5500 -108547.3172 299.8158 -123.0834 -99.3492 764739.2741 -6.4736 -6.3526 PRESSURE: 415600 104.328 -126.39 52.665 -126.39 -127.663 -120.01 52.6654 -120.009 192.904 GPRESSURE: 415600 117.501 -120.296 88.5369 -126.483 -42.5672 -84.0669 69.6963 -173.801 169.024 PRESSAVG: 415600 -16.1107 -13.4898 1.75005 -13.4898 13.0163 16.9378 1.75017 16.9379 6.1178 GPRESSAVG: 415600 -17.5974 -13.6473 0.954072 -13.3257 14.6403 19.2159 1.85887 15.6268 5.49381 TIMING: 415600 CPU: 1295.99, 0.00310784/step Wall: 1295.99, 0.00310784/step, 3.95766 hours remaining, 234.449219 MB of memory in use. ENERGY: 415600 3960.9627 20644.8591 14456.1460 244.9245 -202922.0915 2826.3485 0.0000 0.0000 52093.6349 -108695.2157 299.3828 -160788.8506 -108340.2064 299.5884 56.5233 81.3190 764786.0533 1.0078 0.8456 PRESSURE: 415800 171.058 -73.1278 -77.0768 -73.1266 47.6159 67.1248 -77.0772 67.1244 -82.4139 GPRESSURE: 415800 200.788 -116.473 -20.9978 32.8328 113.081 -0.672867 -43.3352 179.683 -84.7644 PRESSAVG: 415800 -44.7059 -65.5997 15.0633 -65.5997 52.5561 -75.5046 15.0632 -75.5045 -5.7222 GPRESSAVG: 415800 -43.5372 -65.8093 17.7352 -65.6721 52.5647 -77.3882 13.5462 -74.1887 -6.65575 TIMING: 415800 CPU: 1296.61, 0.00310489/step Wall: 1296.61, 0.00310489/step, 3.95374 hours remaining, 234.449219 MB of memory in use. ENERGY: 415800 3989.8827 20361.0031 14434.5093 262.9750 -202640.6580 2626.7887 0.0000 0.0000 52395.0273 -108570.4719 301.1149 -160965.4992 -108205.9535 299.4200 45.4200 76.3683 763761.7957 0.7094 0.7906 PRESSURE: 416000 -29.6974 64.6203 -50.0155 64.62 83.8396 -114.302 -50.0149 -114.303 185.386 GPRESSURE: 416000 -31.568 -5.1931 -36.3904 -20.0503 113.862 -80.4122 -76.964 -77.9489 213.084 PRESSAVG: 416000 -50.1618 -42.6817 -8.24323 -42.6818 31.1301 0.0396729 -8.24321 0.03972 22.0826 GPRESSAVG: 416000 -49.6757 -41.9807 -9.86122 -42.65 30.5643 1.14596 -8.09742 -1.26994 22.1807 TIMING: 416000 CPU: 1297.23, 0.00311607/step Wall: 1297.23, 0.00311607/step, 3.9678 hours remaining, 234.449219 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: 416000 3995.2421 20607.8803 14486.5320 249.5980 -203081.3231 3025.0298 0.0000 0.0000 51996.0126 -108721.0283 298.8218 -160717.0409 -108385.9727 299.9686 79.8426 98.4594 763491.4852 1.0170 1.0231 PRESSURE: 416200 -327.258 -77.7944 138.159 -77.794 -299.323 -179.858 138.158 -179.859 -348.989 GPRESSURE: 416200 -267.792 -75.3531 134.335 -98.6716 -232.098 -147.174 161.456 -167.906 -370.075 PRESSAVG: 416200 6.19648 -17.3798 -55.9048 -17.3798 -45.7031 -11.2513 -55.9048 -11.2512 -28.9104 GPRESSAVG: 416200 7.48448 -17.754 -53.4731 -16.4523 -45.977 -10.4649 -55.8409 -11.1317 -29.7107 TIMING: 416200 CPU: 1297.86, 0.00313003/step Wall: 1297.86, 0.00313003/step, 3.98539 hours remaining, 234.449219 MB of memory in use. ENERGY: 416200 3976.6679 20536.1878 14445.3583 246.0378 -202490.1429 2444.6846 0.0000 0.0000 52115.7782 -108725.4284 299.5101 -160841.2065 -108359.4610 299.4306 -325.1897 -289.9881 765414.4642 -22.8057 -22.7344 LDB: ============= START OF LOAD BALANCING ============== 1310.33 LDB: ============== END OF LOAD BALANCING =============== 1310.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1310.34 LDB: ============= START OF LOAD BALANCING ============== 1310.65 LDB: Largest compute 7052 load 0.030944 is 15.9% of average load 0.194863 LDB: Average compute 0.004382 is 2.2% of average load 0.194863 LDB: TIME 1310.65 LOAD: AVG 0.194863 MAX 0.212865 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.246 MB LDB: TIME 1310.65 LOAD: AVG 0.194863 MAX 0.212865 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.246 MB LDB: TIME 1310.65 LOAD: AVG 0.194863 MAX 0.212865 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.246 MB LDB: ============== END OF LOAD BALANCING =============== 1310.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1310.66 PRESSURE: 416400 -108.064 151.208 117.882 151.209 -28.2615 -142.876 117.881 -142.876 -25.3663 GPRESSURE: 416400 -14.5836 172.007 125.038 170.463 -36.4032 -87.8029 194.403 -66.587 -35.8671 PRESSAVG: 416400 -27.7699 -36.2743 -25.0195 -36.2744 49.3197 -3.91907 -25.0196 -3.91906 19.3587 GPRESSAVG: 416400 -28.4422 -36.5297 -26.3745 -35.7856 49.5777 -7.8587 -25.7891 -2.74028 20.2319 TIMING: 416400 CPU: 1298.49, 0.00318535/step Wall: 1298.49, 0.00318535/step, 4.05566 hours remaining, 235.785156 MB of memory in use. ENERGY: 416400 4005.5806 20666.9524 14439.7590 240.8564 -202949.2542 2780.4102 0.0000 0.0000 51949.4128 -108866.2829 298.5540 -160815.6956 -108503.6631 299.4437 -53.8973 -28.9513 763961.3963 13.6362 13.7891 PRESSURE: 416600 219.618 148.141 -226.383 148.14 160.796 -5.47777 -226.383 -5.47734 -134.689 GPRESSURE: 416600 269.224 -14.3226 -207.028 126.078 139.322 -85.0434 -90.6482 -42.6605 -81.6061 PRESSAVG: 416600 -32.7566 -46.1753 -15.858 -46.1753 -2.57922 -5.68854 -15.858 -5.68853 10.9639 GPRESSAVG: 416600 -32.8031 -46.3511 -14.6419 -46.3009 -2.52806 -3.75186 -14.3102 -7.58985 10.3206 TIMING: 416600 CPU: 1299.12, 0.00311005/step Wall: 1299.12, 0.00311005/step, 3.95961 hours remaining, 235.855469 MB of memory in use. ENERGY: 416600 4031.4254 20592.0607 14432.2596 226.2622 -203448.1314 3211.4915 0.0000 0.0000 51986.1400 -108968.4920 298.7651 -160954.6320 -108611.8018 299.2884 81.9082 108.9801 764352.1728 -8.1240 -8.3369 PRESSURE: 416800 283.005 -138.887 -187.668 -138.887 -194.894 -7.35969 -187.669 -7.3607 97.2194 GPRESSURE: 416800 249.464 -120.177 -74.4836 -44.7282 -90.1805 34.2514 -193.222 -19.8468 109.133 PRESSAVG: 416800 -4.45949 -97.0867 -15.1358 -97.0867 20.5166 16.3288 -15.1358 16.3288 21.2038 GPRESSAVG: 416800 -5.42825 -95.9328 -15.6188 -98.0767 20.6558 17.2942 -15.6323 16.4138 22.5475 TIMING: 416800 CPU: 1299.73, 0.00309667/step Wall: 1299.73, 0.00309667/step, 3.94241 hours remaining, 235.855469 MB of memory in use. ENERGY: 416800 3981.3016 20498.4494 14452.9437 248.3264 -202772.2584 2643.3461 0.0000 0.0000 51903.0490 -109044.8421 298.2875 -160947.8911 -108681.3381 298.9612 61.7770 89.4721 765415.7193 12.4203 12.5917 PRESSURE: 417000 -225.379 -167.974 101.665 -167.973 -176.392 -167.806 101.665 -167.806 200.988 GPRESSURE: 417000 -119.52 -86.0022 135.82 -172.296 -190.82 -192.301 57.9616 -36.6222 198.385 PRESSAVG: 417000 -0.888859 -26.2342 -19.9306 -26.2342 -35.2492 -16.2331 -19.9306 -16.233 -14.6169 GPRESSAVG: 417000 -0.237099 -26.1468 -19.6243 -26.8344 -35.0807 -16.8175 -22.3112 -14.9865 -14.9361 TIMING: 417000 CPU: 1300.36, 0.00310533/step Wall: 1300.36, 0.00310533/step, 3.95326 hours remaining, 235.855469 MB of memory in use. ENERGY: 417000 4066.2399 20463.5120 14495.0407 277.4239 -202931.8896 2615.7991 0.0000 0.0000 52152.2793 -108861.5947 299.7199 -161013.8739 -108496.8628 298.9338 -66.9276 -37.3184 764630.0824 -16.9183 -16.7513 PRESSURE: 417200 188.079 -53.7603 -142.507 -53.7598 -144.477 50.4054 -142.508 50.4059 75.584 GPRESSURE: 417200 205.413 30.814 -243.144 -56.7682 -95.4287 25.6106 -74.5596 60.6869 109.272 PRESSAVG: 417200 54.0559 18.0962 -53.4571 18.0962 -58.6236 2.59798 -53.4571 2.59799 6.34888 GPRESSAVG: 417200 54.2344 20.7578 -54.434 17.1076 -59.2827 3.17442 -51.1771 2.81876 6.83037 TIMING: 417200 CPU: 1300.98, 0.00311288/step Wall: 1300.98, 0.00311288/step, 3.96269 hours remaining, 235.855469 MB of memory in use. ENERGY: 417200 4037.5389 20420.5115 14468.8250 290.0911 -202961.3332 2845.4708 0.0000 0.0000 52033.6070 -108865.2889 299.0379 -160898.8959 -108500.4122 299.5401 39.7287 73.0856 765593.0108 0.5937 0.5940 PRESSURE: 417400 216.771 234.587 399.089 234.587 -127.458 -73.0401 399.089 -73.0404 -29.0412 GPRESSURE: 417400 267.274 216.311 331.264 280.876 -128.582 -41.1748 336.936 -135.589 7.47241 PRESSAVG: 417400 41.1841 -33.424 49.4193 -33.424 -35.7613 -21.6642 49.4193 -21.6641 9.29147 GPRESSAVG: 417400 40.9898 -36.3266 48.7457 -32.1797 -34.5673 -21.2019 50.1386 -23.0761 8.23174 TIMING: 417400 CPU: 1301.6, 0.00310627/step Wall: 1301.6, 0.00310627/step, 3.9541 hours remaining, 235.855469 MB of memory in use. ENERGY: 417400 4018.4483 20593.1684 14491.2347 237.7939 -203236.1461 2802.0393 0.0000 0.0000 52261.3709 -108832.0905 300.3468 -161093.4614 -108478.3908 299.4281 20.0904 48.7216 764765.8318 4.9047 4.8847 PRESSURE: 417600 -166.074 -60.6051 244.726 -60.6046 -446.732 78.6575 244.725 78.6568 22.3367 GPRESSURE: 417600 -216.008 -90.1619 197.859 -47.1031 -330.476 145.933 249.402 131.16 26.5559 PRESSAVG: 417600 -5.96571 -25.786 -15.0419 -25.7859 49.8058 -33.092 -15.0419 -33.0921 -8.99527 GPRESSAVG: 417600 -5.90918 -28.1864 -14.0973 -25.4919 48.0947 -32.7864 -15.2912 -33.9884 -7.94135 TIMING: 417600 CPU: 1302.22, 0.00310887/step Wall: 1302.22, 0.00310887/step, 3.95725 hours remaining, 235.855469 MB of memory in use. ENERGY: 417600 4059.2956 20609.2948 14476.3633 252.4260 -203116.0953 2558.5502 0.0000 0.0000 52301.8552 -108858.3103 300.5795 -161160.1654 -108492.2781 299.7702 -196.8231 -173.3094 764602.1296 11.6149 11.4147 PRESSURE: 417800 656.345 -6.18433 -36.572 -6.1839 348.755 210.643 -36.5735 210.644 10.2088 GPRESSURE: 417800 548.492 17.0214 9.83161 -105.27 393.468 121.603 -30.4325 149.506 153.55 PRESSAVG: 417800 62.5412 -2.02426 38.7606 -2.02421 -77.0527 2.50567 38.7606 2.50577 9.28477 GPRESSAVG: 417800 62.4632 1.21158 38.2691 -4.04192 -76.5772 2.53344 37.7486 3.74803 9.12767 TIMING: 417800 CPU: 1302.84, 0.00310732/step Wall: 1302.84, 0.00310732/step, 3.9551 hours remaining, 235.855469 MB of memory in use. ENERGY: 417800 3990.2332 20429.7979 14549.3672 264.7891 -203122.6629 3013.0579 0.0000 0.0000 52174.5663 -108700.8513 299.8479 -160875.4176 -108341.3815 299.5918 338.4363 365.1700 763658.8747 -1.7423 -1.6621 PRESSURE: 418000 -110.891 -137.264 19.2918 -137.264 -181.944 15.4197 19.2927 15.4195 373.473 GPRESSURE: 418000 -45.6186 -122.546 98.8469 -70.7144 -207.28 40.9008 52.0188 7.21789 434.658 PRESSAVG: 418000 73.6957 16.2224 9.3956 16.2224 -53.5772 -7.90049 9.39558 -7.90052 -8.95532 GPRESSAVG: 418000 73.8043 16.8998 8.2157 18.1108 -53.5314 -7.65575 8.66764 -9.15521 -9.20576 TIMING: 418000 CPU: 1303.47, 0.00311812/step Wall: 1303.47, 0.00311812/step, 3.96867 hours remaining, 235.855469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 418000 3937.5069 20615.3215 14462.9225 254.5458 -202788.5318 2646.5911 0.0000 0.0000 52159.2778 -108712.3663 299.7601 -160871.6441 -108349.3656 299.4757 26.8790 60.5864 763719.9040 3.7211 3.6890 PRESSURE: 418200 -195.939 -139.62 204.662 -139.62 108.471 94.6174 204.663 94.6178 135.703 GPRESSURE: 418200 -74.0742 -152.853 121.894 -86.3865 86.7996 89.7786 281.927 130.241 114.832 PRESSAVG: 418200 92.8178 -25.9231 54.0131 -25.9232 -77.8168 9.09568 54.0131 9.0957 9.71308 GPRESSAVG: 418200 92.3014 -27.3147 54.0327 -25.7897 -78.0187 7.36998 54.6129 12.3394 10.2183 TIMING: 418200 CPU: 1304.09, 0.00311837/step Wall: 1304.09, 0.00311837/step, 3.96882 hours remaining, 235.855469 MB of memory in use. ENERGY: 418200 3988.1805 20455.1104 14457.2596 243.8664 -202779.6881 2753.0362 0.0000 0.0000 52087.3986 -108794.8366 299.3470 -160882.2352 -108426.8998 299.5210 16.0783 42.5190 764424.4046 8.2380 8.1670 PRESSURE: 418400 -4.26945 -18.8216 -126.477 -18.8213 107.785 255.633 -126.477 255.635 -48.1124 GPRESSURE: 418400 51.9277 -16.1321 -127.159 -121.688 188.544 240.871 -140.256 92.0824 -87.4161 PRESSAVG: 418400 24.1044 -9.82708 -37.0668 -9.82704 -40.533 -57.7681 -37.0668 -57.768 -1.39069 GPRESSAVG: 418400 24.825 -9.9754 -36.3706 -10.6272 -41.0151 -57.8299 -35.7476 -58.5791 -1.5474 TIMING: 418400 CPU: 1304.71, 0.00311824/step Wall: 1304.71, 0.00311824/step, 3.96848 hours remaining, 235.855469 MB of memory in use. ENERGY: 418400 3933.2886 20457.5854 14500.0473 256.2301 -203177.3333 2736.8846 0.0000 0.0000 52157.0352 -109136.2621 299.7472 -161293.2973 -108782.1417 299.5466 18.4679 51.0186 763748.1052 -5.9398 -5.9125 PRESSURE: 418600 -364.866 -40.1408 -85.5008 -40.1416 -425.2 -126.876 -85.5016 -126.876 -440.365 GPRESSURE: 418600 -306.551 9.79958 -156.729 -149.279 -458.53 -131.131 -59.4236 -93.4136 -376.372 PRESSAVG: 418600 -0.833856 -3.11848 3.64748 -3.11858 -31.5971 -39.7803 3.64745 -39.7804 -1.92034 GPRESSAVG: 418600 -2.03479 -3.60804 2.04921 -3.68757 -31.1958 -38.1997 3.56374 -39.5709 -0.881887 TIMING: 418600 CPU: 1305.34, 0.0031412/step Wall: 1305.34, 0.0031412/step, 3.99752 hours remaining, 235.855469 MB of memory in use. ENERGY: 418600 4053.4025 20633.2188 14546.1497 265.7823 -203034.4480 2647.4294 0.0000 0.0000 51842.3842 -109046.0810 297.9389 -160888.4652 -108682.9651 298.7558 -410.1436 -380.4844 762798.8810 -11.4504 -11.3708 PRESSURE: 418800 11.8293 -51.843 -76.3833 -51.8434 -90.045 -52.4328 -76.383 -52.4327 520.423 GPRESSURE: 418800 -28.6734 -34.2344 -183.776 -26.2472 101.404 -33.8093 37.3115 53.9327 444.066 PRESSAVG: 418800 38.6002 -15.3277 -17.3744 -15.3277 -48.6278 23.1502 -17.3745 23.1502 26.6396 GPRESSAVG: 418800 40.2045 -15.2608 -14.2379 -13.163 -48.5283 21.6588 -18.6551 22.9185 25.0222 TIMING: 418800 CPU: 1305.97, 0.00312834/step Wall: 1305.97, 0.00312834/step, 3.98099 hours remaining, 235.855469 MB of memory in use. ENERGY: 418800 3885.2551 20599.1790 14469.2350 238.7383 -203206.0397 2902.8910 0.0000 0.0000 51872.9596 -109237.7817 298.1146 -161110.7413 -108877.6041 298.7822 147.4025 172.2657 763504.1511 5.5373 5.5661 PRESSURE: 419000 -98.7429 -178.424 192.69 -178.424 60.1785 211.681 192.69 211.681 -273.115 GPRESSURE: 419000 7.28818 -217.8 234.22 -50.4689 -34.6834 185.448 193.279 228.475 -215.276 PRESSAVG: 419000 -19.8191 -7.54349 42.308 -7.54352 29.8809 38.9259 42.308 38.9259 -1.09458 GPRESSAVG: 419000 -20.1262 -7.41753 40.7577 -7.8107 29.3214 39.2289 44.2848 40.2757 -0.699355 TIMING: 419000 CPU: 1306.59, 0.00311263/step Wall: 1306.59, 0.00311263/step, 3.96082 hours remaining, 235.855469 MB of memory in use. ENERGY: 419000 4002.2988 20350.9303 14486.7814 264.3599 -202756.3212 2589.5784 0.0000 0.0000 52075.3319 -108987.0404 299.2776 -161062.3723 -108614.7423 299.1685 -103.8931 -80.8904 764206.6939 2.9891 2.8320 PRESSURE: 419200 199.085 -46.0797 19.8095 -46.0792 -98.3383 172.075 19.8106 172.075 1.49145 GPRESSURE: 419200 255.501 -85.551 -45.4606 34.7662 -73.5778 310.504 22.5409 68.4006 1.89424 PRESSAVG: 419200 35.8067 -29.1976 64.2623 -29.1976 -5.46972 31.9554 64.2623 31.9553 -5.41928 GPRESSAVG: 419200 34.9315 -29.6505 65.1038 -27.6059 -5.8711 31.2721 61.7767 30.3161 -4.85902 TIMING: 419200 CPU: 1307.21, 0.00311743/step Wall: 1307.21, 0.00311743/step, 3.96676 hours remaining, 235.855469 MB of memory in use. ENERGY: 419200 4013.2901 20658.2363 14473.1876 254.1404 -203216.6660 3067.9540 0.0000 0.0000 52019.3814 -108730.4761 298.9561 -160749.8575 -108381.9929 299.2270 34.0793 61.2726 763847.2455 8.3059 8.0671 PRESSURE: 419400 243.441 -109.705 -14.509 -109.705 319.602 17.9507 -14.5094 17.9512 2.07339 GPRESSURE: 419400 235.986 -18.5071 -113.321 -95.7374 382.99 10.1567 124.25 67.6525 39.6065 PRESSAVG: 419400 45.7494 -56.2657 -16.1474 -56.2657 -53.2795 20.844 -16.1475 20.844 -23.1692 GPRESSAVG: 419400 45.1321 -55.2273 -15.7782 -57.9853 -52.0551 22.0411 -13.5027 19.6911 -23.7369 TIMING: 419400 CPU: 1307.84, 0.00312166/step Wall: 1307.84, 0.00312165/step, 3.97196 hours remaining, 235.855469 MB of memory in use. ENERGY: 419400 4063.6518 20484.0615 14435.5215 225.8391 -203266.1921 3050.9471 0.0000 0.0000 52181.3781 -108824.7930 299.8871 -161006.1711 -108478.6686 299.2066 188.3723 219.5275 763588.7930 -10.2331 -10.2200 PRESSURE: 419600 -32.431 -52.3917 112.612 -52.3914 -238.1 -161.665 112.612 -161.664 270.851 GPRESSURE: 419600 -26.3008 -127.795 111.598 -112.804 -189.434 -84.7301 -6.79507 -85.5995 298.455 PRESSAVG: 419600 12.01 17.6124 -1.38458 17.6124 -16.0558 12.8165 -1.38451 12.8164 -20.1883 GPRESSAVG: 419600 13.4047 15.1444 -1.71854 16.3595 -17.7954 12.8135 -1.86077 14.2387 -19.8279 TIMING: 419600 CPU: 1308.46, 0.00311923/step Wall: 1308.46, 0.00311923/step, 3.9687 hours remaining, 235.855469 MB of memory in use. ENERGY: 419600 4117.2314 20440.6257 14508.8817 231.9106 -202864.7143 2701.2017 0.0000 0.0000 52009.4773 -108855.3860 298.8992 -160864.8633 -108494.9289 299.1549 0.1066 27.5736 763097.8797 -8.0780 -8.0729 PRESSURE: 419800 -239.087 -25.7767 -96.314 -25.7766 -168.412 80.8087 -96.3144 80.8071 -51.1183 GPRESSURE: 419800 -216.511 -7.03442 -54.3105 -18.951 -142.498 114.35 -171.72 206.11 -21.7329 PRESSAVG: 419800 69.4814 7.90058 -38.2873 7.90057 -40.3902 28.8056 -38.2873 28.8056 0.125187 GPRESSAVG: 419800 67.7284 7.98796 -39.2539 7.18964 -38.4403 28.5836 -39.5277 29.2955 -0.468542 TIMING: 419800 CPU: 1309.08, 0.0031075/step Wall: 1309.08, 0.0031075/step, 3.9536 hours remaining, 235.855469 MB of memory in use. ENERGY: 419800 3994.5447 20641.6630 14419.1725 233.9477 -202756.2747 2662.4857 0.0000 0.0000 52147.9093 -108656.5518 299.6948 -160804.4611 -108298.1977 299.3124 -152.8724 -126.9140 764645.2277 9.7388 9.6065 PRESSURE: 420000 68.0134 -270.669 -100.357 -270.669 -457.293 197.897 -100.356 197.899 -228.354 GPRESSURE: 420000 87.8008 -341.685 -126.317 -215.044 -345.726 250.872 -77.3967 129.369 -276.584 PRESSAVG: 420000 21.8332 -42.491 2.92837 -42.491 -54.878 -10.7207 2.92842 -10.7206 -8.59123 GPRESSAVG: 420000 22.6226 -42.4027 4.37014 -40.3909 -55.5688 -9.86521 1.68352 -12.633 -8.75329 TIMING: 420000 CPU: 1309.71, 0.00312332/step Wall: 1309.71, 0.00312332/step, 3.97355 hours remaining, 235.855469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 420000 4046.9760 20533.2892 14452.7987 224.3540 -203213.0209 2905.3726 0.0000 0.0000 52077.8269 -108972.4036 299.2920 -161050.2305 -108606.2710 299.3535 -205.8777 -178.1695 763838.5419 -13.8787 -13.8998 PRESSURE: 420200 -118.808 -12.066 -27.5872 -12.0658 -64.3321 89.1224 -27.5867 89.1225 -303.887 GPRESSURE: 420200 -38.2341 -9.1239 31.6568 19.6545 -36.6578 79.1072 -14.471 139.74 -316.788 PRESSAVG: 420200 35.1713 -35.3355 -0.377152 -35.3355 -40.0049 -27.8335 -0.377195 -27.8334 11.5305 GPRESSAVG: 420200 34.1925 -33.0347 0.492279 -38.8914 -40.0391 -27.9739 -0.236467 -25.9726 13.218 TIMING: 420200 CPU: 1310.33, 0.00309876/step Wall: 1310.33, 0.00309876/step, 3.94214 hours remaining, 235.855469 MB of memory in use. ENERGY: 420200 4116.7250 20578.9127 14449.6030 268.9501 -203430.7236 2944.2267 0.0000 0.0000 52121.9422 -108950.3639 299.5455 -161072.3061 -108593.0470 299.3576 -162.3426 -130.5601 763600.7992 2.2323 2.4571 LDB: ============= START OF LOAD BALANCING ============== 1322.8 LDB: ============== END OF LOAD BALANCING =============== 1322.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1322.81 LDB: ============= START OF LOAD BALANCING ============== 1323.12 LDB: Largest compute 7052 load 0.030027 is 15.4% of average load 0.194968 LDB: Average compute 0.004369 is 2.2% of average load 0.194968 LDB: TIME 1323.12 LOAD: AVG 0.194968 MAX 0.212691 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.586 MB LDB: TIME 1323.12 LOAD: AVG 0.194968 MAX 0.212691 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.586 MB LDB: TIME 1323.12 LOAD: AVG 0.194968 MAX 0.212691 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.586 MB LDB: ============== END OF LOAD BALANCING =============== 1323.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1323.13 PRESSURE: 420400 -74.8302 -226.067 -90.5039 -226.066 363.894 109.583 -90.5045 109.582 517.24 GPRESSURE: 420400 -38.2473 -150.527 -87.0409 -236.503 352.928 54.5875 -156.629 16.3202 556.685 PRESSAVG: 420400 -18.4614 -19.2668 -42.8899 -19.2668 -7.11881 40.4311 -42.8899 40.4311 -1.04142 GPRESSAVG: 420400 -18.5247 -21.9295 -44.051 -15.6467 -7.20291 37.8825 -39.6284 40.2809 -0.925235 TIMING: 420400 CPU: 1310.96, 0.00317014/step Wall: 1310.96, 0.00317014/step, 4.03277 hours remaining, 233.519531 MB of memory in use. ENERGY: 420400 4050.9615 20445.4513 14457.6069 253.5980 -203117.3973 3013.2741 0.0000 0.0000 52128.9079 -108767.5976 299.5855 -160896.5055 -108397.9834 298.8392 268.7678 290.4552 764517.8883 -8.8739 -8.8843 PRESSURE: 420600 -77.9575 90.5554 -156.246 90.5553 187.711 -149.574 -156.245 -149.573 -34.833 GPRESSURE: 420600 -30.7464 39.4823 -68.1786 -82.0406 197.779 -34.1094 -197.244 -154.746 -23.4876 PRESSAVG: 420600 -4.01281 -23.9515 -33.9773 -23.9516 -21.4574 21.7983 -33.9773 21.7983 15.0482 GPRESSAVG: 420600 -4.15426 -20.8112 -33.5564 -25.3368 -21.0512 23.3344 -36.4312 20.8855 14.7405 TIMING: 420600 CPU: 1311.58, 0.00309058/step Wall: 1311.58, 0.00309057/step, 3.93138 hours remaining, 233.519531 MB of memory in use. ENERGY: 420600 4040.3615 20416.8117 14570.7324 245.5638 -202902.2708 2857.7777 0.0000 0.0000 52167.9292 -108603.0944 299.8098 -160771.0237 -108226.7734 299.4471 24.9736 47.8482 767112.9518 -3.4740 -3.4883 PRESSURE: 420800 69.2697 -75.7137 -71.9611 -75.7137 -7.42406 123.245 -71.9602 123.246 225.22 GPRESSURE: 420800 111.962 -113.314 -70.9882 -65.1443 -0.174602 135.789 17.3158 140.052 241.013 PRESSAVG: 420800 -57.3849 -20.5324 -14.5071 -20.5325 51.2464 0.231341 -14.5071 0.231377 8.47538 GPRESSAVG: 420800 -55.3469 -22.5642 -14.291 -21.8548 50.4026 1.10571 -12.5223 0.339167 7.26525 TIMING: 420800 CPU: 1312.2, 0.00310118/step Wall: 1312.2, 0.00310118/step, 3.9447 hours remaining, 233.519531 MB of memory in use. ENERGY: 420800 4041.4745 20648.6563 14463.5421 250.4868 -203232.5880 3125.7181 0.0000 0.0000 52300.3117 -108402.3985 300.5706 -160702.7102 -108046.1342 299.7669 95.6885 117.6004 766554.4966 0.7790 0.7736 PRESSURE: 421000 276.831 -161.281 179.485 -161.281 280.298 -5.26833 179.485 -5.26737 -161.853 GPRESSURE: 421000 264.842 -119.337 344.378 -70.3582 276.45 -67.8647 -35.3529 -43.6082 -38.6806 PRESSAVG: 421000 -22.6409 -55.956 -48.3728 -55.956 44.512 4.58152 -48.3728 4.58161 -2.64101 GPRESSAVG: 421000 -22.0714 -55.42 -50.6453 -55.7751 44.7343 2.42023 -49.4212 5.35672 -3.11644 TIMING: 421000 CPU: 1312.82, 0.00311486/step Wall: 1312.82, 0.00311486/step, 3.96192 hours remaining, 233.519531 MB of memory in use. ENERGY: 421000 3913.2307 20539.8422 14516.4513 260.3470 -202616.6578 2681.0246 0.0000 0.0000 52428.9882 -108276.7739 301.3101 -160705.7620 -107905.8787 300.4646 131.7585 167.5374 765371.4951 6.4100 6.5155 PRESSURE: 421200 -20.287 -205.314 -61.1749 -205.313 139.214 -227.004 -61.1745 -227.002 65.4436 GPRESSURE: 421200 34.2857 -124.745 -133.983 -183.691 181.619 -169.745 -95.6473 -165.311 50.2106 PRESSAVG: 421200 0.890924 -34.5796 -24.2953 -34.5796 2.35508 13.0249 -24.2953 13.0249 -22.6055 GPRESSAVG: 421200 0.160355 -35.8688 -24.6049 -32.5188 1.19789 14.6728 -21.7903 11.4118 -20.6102 TIMING: 421200 CPU: 1313.45, 0.00311672/step Wall: 1313.45, 0.00311672/step, 3.96413 hours remaining, 233.519531 MB of memory in use. ENERGY: 421200 4033.4953 20633.5476 14580.1296 254.5157 -203204.5138 3090.2342 0.0000 0.0000 52516.5303 -108096.0610 301.8132 -160612.5914 -107736.9873 301.1853 61.4570 88.7051 765018.9730 -6.4532 -6.4173 PRESSURE: 421400 -46.0127 -99.9264 202.913 -99.9258 169.589 -12.7646 202.913 -12.7649 -329.031 GPRESSURE: 421400 -7.77469 -82.7815 252.041 19.9624 212.501 -116.811 99.4033 116.26 -332.448 PRESSAVG: 421400 43.2074 -14.958 39.9195 -14.958 -54.3453 11.7138 39.9195 11.7138 4.5581 GPRESSAVG: 421400 43.4016 -12.4846 41.7222 -16.0787 -52.079 11.6713 37.0071 13.533 2.82787 TIMING: 421400 CPU: 1314.07, 0.00310743/step Wall: 1314.07, 0.00310743/step, 3.95214 hours remaining, 233.519531 MB of memory in use. ENERGY: 421400 4026.6111 20591.5712 14484.9969 245.5074 -202481.6532 2770.0367 0.0000 0.0000 51975.4503 -108387.4796 298.7036 -160362.9299 -108022.2813 300.7020 -68.4846 -42.5736 766400.9017 -2.1933 -1.9499 PRESSURE: 421600 146.893 -22.972 -151.608 -22.9719 -184.275 -258.813 -151.608 -258.813 58.5963 GPRESSURE: 421600 135.301 28.7284 -152.613 -132.86 -118.909 -225.123 -84.7004 -193.934 74.8155 PRESSAVG: 421600 24.8043 35.8968 -9.65247 35.8968 -41.4389 -24.1565 -9.65246 -24.1565 15.816 GPRESSAVG: 421600 25.0823 35.6179 -10.5823 35.9938 -42.4916 -25.4409 -7.96378 -25.311 16.5297 TIMING: 421600 CPU: 1314.69, 0.00311376/step Wall: 1314.69, 0.00311376/step, 3.96001 hours remaining, 233.519531 MB of memory in use. ENERGY: 421600 3960.1592 20518.4973 14462.2681 243.7456 -202920.3347 2933.0619 0.0000 0.0000 52281.4010 -108521.2014 300.4619 -160802.6025 -108145.4995 299.8086 7.0715 30.4026 765514.6514 -0.2729 -0.2932 PRESSURE: 421800 -205.667 285.348 68.092 285.349 42.4387 71.9145 68.091 71.9135 243.234 GPRESSURE: 421800 -126.634 216.192 55.1365 226.57 45.5029 142.821 62.7091 35.1764 240.532 PRESSAVG: 421800 27.0668 16.3837 -20.5177 16.3837 -14.1885 12.4927 -20.5177 12.4927 17.6064 GPRESSAVG: 421800 27.5358 13.1473 -20.1159 17.9782 -14.5956 13.6548 -19.92 13.1528 17.8829 TIMING: 421800 CPU: 1315.31, 0.00311722/step Wall: 1315.31, 0.00311722/step, 3.96424 hours remaining, 233.519531 MB of memory in use. ENERGY: 421800 3951.4748 20497.5926 14467.1951 257.5355 -202426.7211 2576.7053 0.0000 0.0000 52110.1538 -108566.0640 299.4778 -160676.2178 -108205.6802 299.6247 26.6685 53.1336 765502.7780 10.1616 10.2744 PRESSURE: 422000 -128.881 -1.11633 69.228 -1.11636 31.9094 -128.448 69.2278 -128.448 89.6084 GPRESSURE: 422000 -9.91056 -27.201 -33.0021 7.43185 6.37519 -79.6764 105.568 -36.7583 94.0374 PRESSAVG: 422000 7.76227 40.8793 32.985 40.8793 19.5975 -21.2936 32.985 -21.2937 10.501 GPRESSAVG: 422000 6.7375 41.0996 34.6846 39.0414 18.5561 -21.495 31.5527 -22.4975 11.9481 TIMING: 422000 CPU: 1315.94, 0.00312097/step Wall: 1315.94, 0.00312097/step, 3.96884 hours remaining, 233.519531 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: 422000 3917.9383 20554.7891 14431.8174 269.3723 -202338.8910 2769.3585 0.0000 0.0000 51880.2694 -108515.3460 298.1566 -160395.6154 -108160.7483 299.0897 -2.4543 30.1673 764887.3545 12.6202 12.4139 PRESSURE: 422200 329.602 -108.355 208.536 -108.354 34.1317 42.3768 208.536 42.3764 144.502 GPRESSURE: 422200 390.277 -104.237 309.873 -10.3979 32.4157 133.71 24.0212 -30.6366 172.631 PRESSAVG: 422200 -23.6405 31.2612 2.2006 31.2611 21.9593 23.4077 2.20054 23.4077 11.2056 GPRESSAVG: 422200 -22.9375 31.1563 2.48293 32.943 23.0552 23.429 2.68675 23.814 10.0014 TIMING: 422200 CPU: 1316.56, 0.00312027/step Wall: 1316.56, 0.00312027/step, 3.96777 hours remaining, 233.519531 MB of memory in use. ENERGY: 422200 3946.5170 20414.0369 14405.2320 238.8958 -202990.1362 3075.2534 0.0000 0.0000 52078.0104 -108832.1906 299.2930 -160910.2010 -108467.0333 299.0905 169.4118 198.4412 763599.9081 3.1748 3.3730 PRESSURE: 422400 -35.4222 286.746 110.313 286.746 180.275 23.637 110.313 23.6357 223.14 GPRESSURE: 422400 -33.0548 321.952 185.555 318.331 252.091 62.1598 63.976 108.704 231.238 PRESSAVG: 422400 -8.34887 -3.25348 -30.5477 -3.25349 43.1672 -3.11119 -30.5477 -3.11124 -9.00352 GPRESSAVG: 422400 -8.17765 -1.62649 -30.3908 -3.95185 43.3078 -3.61221 -33.6563 -2.22982 -9.65152 TIMING: 422400 CPU: 1317.18, 0.00310682/step Wall: 1317.18, 0.00310682/step, 3.95049 hours remaining, 233.519531 MB of memory in use. ENERGY: 422400 4010.8085 20331.9564 14440.5108 268.0106 -202516.4019 2621.0878 0.0000 0.0000 52250.0497 -108593.9780 300.2818 -160844.0277 -108230.8926 299.2347 122.6643 150.0916 765266.3786 8.6049 8.4929 PRESSURE: 422600 -125.417 30.8101 -49.4184 30.8103 -447.405 -281.426 -49.4187 -281.424 -519.735 GPRESSURE: 422600 -28.6083 75.3823 -23.862 8.70666 -361.567 -380.519 -77.9453 -257.429 -615.298 PRESSAVG: 422600 32.9885 17.2506 -4.91844 17.2506 -17.3573 -30.0692 -4.9185 -30.0692 0.110415 GPRESSAVG: 422600 32.6123 16.501 -5.98672 17.9645 -16.7917 -30.6448 -3.18632 -30.1301 0.388782 TIMING: 422600 CPU: 1317.8, 0.00310479/step Wall: 1317.8, 0.00310479/step, 3.94775 hours remaining, 233.519531 MB of memory in use. ENERGY: 422600 4003.5270 20443.8660 14436.6091 238.4156 -202358.4261 2717.2845 0.0000 0.0000 51958.3358 -108560.3881 298.6053 -160518.7240 -108202.3223 299.6521 -364.1857 -335.1576 766134.2509 5.2472 5.4031 PRESSURE: 422800 -40.3405 -69.9033 129.054 -69.9039 5.15496 24.0524 129.054 24.0526 -228.457 GPRESSURE: 422800 -24.7549 -70.1056 33.2998 -47.6481 12.7207 45.4369 196.477 -67.5757 -151.071 PRESSAVG: 422800 5.40006 -24.0348 48.0784 -24.0348 -26.8433 30.875 48.0785 30.875 17.1708 GPRESSAVG: 422800 6.39265 -24.081 47.0404 -23.2637 -26.9287 32.4313 50.2659 31.1081 16.4128 TIMING: 422800 CPU: 1318.42, 0.0030944/step Wall: 1318.42, 0.0030944/step, 3.93435 hours remaining, 233.519531 MB of memory in use. ENERGY: 422800 3995.9396 20483.0686 14446.7755 240.0210 -202392.6718 2545.2649 0.0000 0.0000 52319.2569 -108362.3454 300.6795 -160681.6022 -107999.6602 299.7698 -87.8807 -54.3684 765378.3254 -1.4242 -1.3744 PRESSURE: 423000 103.839 -119.657 116.565 -119.657 3.13191 -79.5872 116.566 -79.5867 -224.505 GPRESSURE: 423000 145.27 -87.0545 21.7312 -171.883 48.8805 -139.623 50.5761 -142.094 -236.908 PRESSAVG: 423000 56.2773 -41.7302 -18.9074 -41.7302 -36.6159 -100.491 -18.9074 -100.49 15.8954 GPRESSAVG: 423000 55.0036 -42.2997 -18.4284 -42.1305 -35.0134 -100.867 -19.6756 -100.736 15.922 TIMING: 423000 CPU: 1319.04, 0.00308696/step Wall: 1319.04, 0.00308696/step, 3.92473 hours remaining, 233.519531 MB of memory in use. ENERGY: 423000 3988.3795 20481.8546 14419.0891 264.7251 -202235.1409 2611.0779 0.0000 0.0000 52073.9810 -108396.0337 299.2699 -160470.0148 -108045.0915 300.2279 -39.1780 -14.2523 764298.1261 11.8523 11.9707 PRESSURE: 423200 -91.2161 -22.9798 -214.59 -22.98 -24.7876 -10.1302 -214.59 -10.1307 -592.206 GPRESSURE: 423200 -120.263 -21.9281 -119.32 16.2353 -40.5583 -30.9859 -167.244 78.1169 -486.702 PRESSAVG: 423200 -1.20831 12.3626 1.96584 12.3627 0.250226 -14.0352 1.96588 -14.0352 -18.5667 GPRESSAVG: 423200 -0.605754 13.3514 3.51264 12.159 -1.67103 -12.5041 2.53012 -14.9345 -17.2432 TIMING: 423200 CPU: 1319.66, 0.00309636/step Wall: 1319.66, 0.00309636/step, 3.93651 hours remaining, 233.519531 MB of memory in use. ENERGY: 423200 3985.9017 20483.8401 14444.5313 234.1572 -202379.6942 2573.3448 0.0000 0.0000 52112.0863 -108545.8329 299.4889 -160657.9192 -108187.2780 299.5502 -236.0701 -215.8411 764219.5934 -6.5083 -6.5067 PRESSURE: 423400 66.8447 -92.4892 121.309 -92.49 227.088 41.9058 121.309 41.9071 122.517 GPRESSURE: 423400 169.506 -50.4753 38.3358 -163.464 254.586 13.369 0.665882 14.8977 73.6836 PRESSAVG: 423400 27.9933 -35.8048 -52.4606 -35.8047 23.1116 19.3866 -52.4605 19.3866 10.9237 GPRESSAVG: 423400 28.7321 -33.9255 -53.1153 -39.0154 23.2046 18.7083 -52.9411 18.8132 9.81864 TIMING: 423400 CPU: 1320.28, 0.00309169/step Wall: 1320.28, 0.00309169/step, 3.93039 hours remaining, 233.519531 MB of memory in use. ENERGY: 423400 3980.1145 20536.8811 14462.4707 243.5107 -202894.3062 3032.8423 0.0000 0.0000 52173.6291 -108464.8578 299.8426 -160638.4869 -108100.3219 299.9374 138.8166 165.9251 764169.1983 20.6762 20.5851 PRESSURE: 423600 383.341 -220.541 14.849 -220.541 132.421 -282.774 14.8496 -282.774 408.084 GPRESSURE: 423600 416.373 -178.241 68.3033 -123.993 101.22 -240.256 23.7061 -230.023 457.749 PRESSAVG: 423600 21.9317 -24.9762 -42.1821 -24.9762 -25.2082 -18.477 -42.1821 -18.477 -12.7475 GPRESSAVG: 423600 20.9946 -27.3401 -41.4855 -24.5101 -24.9352 -19.3506 -41.5891 -16.6534 -12.066 TIMING: 423600 CPU: 1320.9, 0.00308901/step Wall: 1320.9, 0.00308901/step, 3.92682 hours remaining, 233.519531 MB of memory in use. ENERGY: 423600 3936.8040 20524.0940 14530.3719 230.8715 -202893.8067 2980.7769 0.0000 0.0000 52177.6666 -108513.2219 299.8658 -160690.8885 -108151.0859 300.3267 307.9486 325.1139 765205.2354 -5.3413 -5.3355 PRESSURE: 423800 55.3966 -127.508 -216.697 -127.507 -248.801 100.734 -216.697 100.733 -520.172 GPRESSURE: 423800 -11.9194 -174.091 -144.917 -54.8082 -114.174 161.502 -115.06 98.2876 -508.294 PRESSAVG: 423800 7.99493 17.5621 -7.60546 17.5621 -25.0404 -42.4996 -7.60542 -42.4997 -3.91858 GPRESSAVG: 423800 7.77489 19.5998 -8.34902 18.7303 -24.0703 -42.5641 -8.99884 -42.622 -4.49598 TIMING: 423800 CPU: 1321.52, 0.00310866/step Wall: 1321.52, 0.00310867/step, 3.95163 hours remaining, 233.519531 MB of memory in use. ENERGY: 423800 4008.6134 20331.4307 14490.0779 246.7661 -202813.4750 2595.3437 0.0000 0.0000 52449.5719 -108691.6713 301.4284 -161141.2432 -108322.7195 299.7773 -237.8586 -211.4625 765092.2953 -6.9880 -6.9305 PRESSURE: 424000 -89.8958 -58.7228 -183.968 -58.7226 79.8684 24.3836 -183.967 24.3841 -323.93 GPRESSURE: 424000 8.33256 -102.954 -166.138 -84.9855 -43.7159 53.6921 -175.576 -28.1699 -221.298 PRESSAVG: 424000 21.6866 -25.2904 -26.2997 -25.2905 -15.3185 9.91563 -26.2997 9.91564 1.40324 GPRESSAVG: 424000 22.6686 -28.5268 -27.9339 -24.9061 -16.6793 9.2931 -25.2677 10.7561 1.82193 TIMING: 424000 CPU: 1322.14, 0.00309975/step Wall: 1322.14, 0.00309975/step, 3.94012 hours remaining, 233.519531 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: 424000 4086.9791 20435.8607 14456.7650 242.7563 -203063.4043 3204.3684 0.0000 0.0000 52030.6418 -108606.0332 299.0208 -160636.6749 -108235.6148 299.9176 -111.3192 -85.5604 765182.4129 2.5905 2.6037 PRESSURE: 424200 38.2354 69.5895 -29.357 69.5902 53.7938 7.58102 -29.3563 7.58136 -13.1955 GPRESSURE: 424200 21.3579 -71.418 -80.8776 90.3962 131.357 -31.3853 -81.7443 26.0434 25.1237 PRESSAVG: 424200 -15.1336 -11.3773 -62.2126 -11.3772 0.330115 13.9874 -62.2127 13.9874 7.80882 GPRESSAVG: 424200 -16.7398 -8.4662 -59.4936 -12.1124 0.215294 15.2775 -64.7129 11.4135 9.16845 TIMING: 424200 CPU: 1322.76, 0.00310389/step Wall: 1322.76, 0.00310389/step, 3.94522 hours remaining, 233.519531 MB of memory in use. ENERGY: 424200 3985.7318 20493.2771 14514.3527 245.5640 -202720.6572 2827.0126 0.0000 0.0000 52017.1366 -108637.5825 298.9432 -160654.7191 -108274.4854 299.2669 26.2779 59.2797 765418.8414 -2.3316 -2.4520 LDB: ============= START OF LOAD BALANCING ============== 1335.24 LDB: ============== END OF LOAD BALANCING =============== 1335.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1335.24 LDB: ============= START OF LOAD BALANCING ============== 1335.55 LDB: Largest compute 7052 load 0.030713 is 15.8% of average load 0.194758 LDB: Average compute 0.004377 is 2.2% of average load 0.194758 LDB: TIME 1335.55 LOAD: AVG 0.194758 MAX 0.212755 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.742 MB LDB: TIME 1335.55 LOAD: AVG 0.194758 MAX 0.212755 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.742 MB LDB: TIME 1335.55 LOAD: AVG 0.194758 MAX 0.212755 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.742 MB LDB: ============== END OF LOAD BALANCING =============== 1335.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1335.56 PRESSURE: 424400 -63.1745 -78.7339 290.272 -78.7333 -140.32 -237.253 290.272 -237.252 52.5046 GPRESSURE: 424400 -75.8564 -77.2673 348.583 -98.3376 -96.1032 -165.55 262.584 -188.092 101.211 PRESSAVG: 424400 19.3392 -35.6899 -18.0879 -35.6898 -14.8155 -69.1432 -18.0878 -69.1432 -5.81622 GPRESSAVG: 424400 19.985 -35.5736 -20.1768 -35.2854 -13.1181 -68.6272 -17.6059 -67.9139 -7.76339 TIMING: 424400 CPU: 1323.39, 0.00317541/step Wall: 1323.39, 0.00317541/step, 4.03595 hours remaining, 235.582031 MB of memory in use. ENERGY: 424400 3961.8536 20396.2017 14539.2768 234.5269 -202936.6287 2878.7426 0.0000 0.0000 52380.3755 -108545.6516 301.0307 -160926.0271 -108180.0589 299.7384 -50.3298 -23.5829 765487.5054 -0.4308 -0.2988 PRESSURE: 424600 65.8223 75.5494 -73.5837 75.5497 -42.5421 28.2394 -73.5836 28.2383 -1.73083 GPRESSURE: 424600 177.416 -15.7021 5.63067 69.6467 -82.0762 -45.0416 -145.937 95.2895 -1.85192 PRESSAVG: 424600 20.0322 -8.29117 -3.15485 -8.29118 13.8113 -30.8586 -3.15485 -30.8586 -17.4693 GPRESSAVG: 424600 20.5518 -8.76237 -3.94379 -8.15414 12.7664 -31.4741 -1.57658 -30.5889 -16.2163 TIMING: 424600 CPU: 1324.01, 0.00310555/step Wall: 1324.01, 0.00310555/step, 3.94698 hours remaining, 235.648438 MB of memory in use. ENERGY: 424600 3952.4197 20540.2284 14388.7798 266.3228 -202739.9223 2706.3151 0.0000 0.0000 52165.3450 -108720.5115 299.7950 -160885.8565 -108368.9569 299.4711 7.1831 31.1628 765251.1118 5.4581 5.7006 PRESSURE: 424800 174.027 34.1131 -195.286 34.1129 -64.6396 74.5418 -195.285 74.5419 -157.313 GPRESSURE: 424800 102.213 2.58086 -254.157 76.5041 -43.6299 0.00969012 -182.612 49.9326 -19.038 PRESSAVG: 424800 15.421 -1.15824 -41.3176 -1.15819 -2.8271 -25.5746 -41.3176 -25.5746 21.8819 GPRESSAVG: 424800 15.9517 -1.51337 -39.8311 -0.934424 -1.73357 -26.3848 -39.9041 -25.6149 20.5659 TIMING: 424800 CPU: 1324.64, 0.00310216/step Wall: 1324.64, 0.00310216/step, 3.94251 hours remaining, 235.648438 MB of memory in use. ENERGY: 424800 4046.2671 20530.1200 14328.2424 244.5599 -203065.6470 3018.3242 0.0000 0.0000 52096.8826 -108801.2507 299.4015 -160898.1333 -108441.3320 299.6092 -15.9751 13.1818 763837.4771 11.4919 11.5947 PRESSURE: 425000 72.2319 -76.9199 -76.0109 -76.9193 -107.97 -136.944 -76.0103 -136.945 -140.84 GPRESSURE: 425000 110.084 -129.906 -52.7258 7.06074 -133.437 -91.2803 6.09051 -83.7966 -71.3548 PRESSAVG: 425000 20.7218 -14.4357 -54.3244 -14.4356 5.17802 -44.2342 -54.3244 -44.2342 -8.56371 GPRESSAVG: 425000 19.9692 -15.4399 -53.7473 -13.2175 4.64158 -43.9209 -56.3238 -43.7569 -7.53992 TIMING: 425000 CPU: 1325.25, 0.00309779/step Wall: 1325.25, 0.00309779/step, 3.93678 hours remaining, 235.648438 MB of memory in use. ENERGY: 425000 4038.4368 20501.9715 14408.9363 249.1111 -202775.1296 2626.6728 0.0000 0.0000 52162.9643 -108787.0368 299.7813 -160950.0011 -108420.3212 299.5373 -58.8594 -31.5691 763726.3449 5.7787 5.6903 PRESSURE: 425200 47.8751 -142.004 136.571 -142.002 -24.9638 64.0446 136.571 64.0442 130.099 GPRESSURE: 425200 75.9401 -111.136 136.022 -154.904 109.966 33.0671 210.231 91.1587 53.8826 PRESSAVG: 425200 9.45783 28.4896 -33.796 28.4896 -11.125 -9.41003 -33.796 -9.41005 -12.2232 GPRESSAVG: 425200 10.0193 29.2284 -34.8795 27.5477 -10.4159 -9.33298 -31.6099 -9.72835 -13.3756 TIMING: 425200 CPU: 1325.87, 0.0030988/step Wall: 1325.87, 0.0030988/step, 3.93788 hours remaining, 235.648438 MB of memory in use. ENERGY: 425200 3993.1282 20479.8636 14466.9597 275.4872 -202817.3155 2761.9545 0.0000 0.0000 51993.8455 -108846.0769 298.8093 -160839.9224 -108493.1977 299.0279 51.0036 79.9297 764533.8341 -4.6301 -4.5907 PRESSURE: 425400 1.63951 66.5422 -23.6158 66.5426 -134.603 -60.988 -23.6158 -60.9869 -282.025 GPRESSURE: 425400 37.4378 40.0053 16.9409 -13.4501 -151.587 -80.1091 -38.4367 62.367 -220.717 PRESSAVG: 425400 54.7427 -3.86046 59.8987 -3.86047 -60.0631 62.7998 59.8987 62.7997 5.22766 GPRESSAVG: 425400 54.9642 -3.19131 60.1572 -4.98855 -60.322 63.9169 58.4732 62.2455 5.45188 TIMING: 425400 CPU: 1326.49, 0.00308669/step Wall: 1326.49, 0.00308669/step, 3.92233 hours remaining, 235.648438 MB of memory in use. ENERGY: 425400 3958.0370 20536.0724 14514.7794 245.9164 -202279.3906 2270.9670 0.0000 0.0000 52059.4266 -108694.1918 299.1862 -160753.6184 -108331.3743 298.7899 -138.3294 -111.6219 763914.7296 -0.0309 0.0314 PRESSURE: 425600 22.7001 -42.7746 -34.314 -42.7742 123.891 -145.251 -34.3144 -145.25 168.282 GPRESSURE: 425600 99.0865 -158.873 -12.2595 24.8453 123.189 -248.53 -134.309 -94.4939 190.75 PRESSAVG: 425600 -8.88118 23.9725 5.79595 23.9725 14.5416 -44.5905 5.79601 -44.5906 8.27091 GPRESSAVG: 425600 -8.23766 24.3281 5.73388 24.5916 14.6336 -44.0733 5.40906 -43.3714 8.03482 TIMING: 425600 CPU: 1327.11, 0.00309672/step Wall: 1327.11, 0.00309672/step, 3.9349 hours remaining, 235.648438 MB of memory in use. ENERGY: 425600 3988.7135 20406.0331 14377.8770 238.1576 -202660.5796 2702.2928 0.0000 0.0000 52133.9244 -108813.5813 299.6144 -160947.5056 -108450.4367 299.1698 104.9579 137.6752 762984.8816 4.6438 4.8103 PRESSURE: 425800 466.369 211.749 208.523 211.749 326.67 176.155 208.523 176.156 -38.8071 GPRESSURE: 425800 426.644 350.969 246.1 202.788 400.816 136.655 150.348 143.006 13.0833 PRESSAVG: 425800 -24.4162 -17.6379 4.71145 -17.638 44.5227 -46.3899 4.71139 -46.39 20.2934 GPRESSAVG: 425800 -25.0765 -17.5788 2.5889 -18.432 43.9609 -47.9479 5.12883 -46.523 21.4425 TIMING: 425800 CPU: 1327.73, 0.00309084/step Wall: 1327.73, 0.00309084/step, 3.92726 hours remaining, 235.648438 MB of memory in use. ENERGY: 425800 4024.0314 20609.6800 14482.8140 245.9904 -203393.2199 3274.8652 0.0000 0.0000 52258.7745 -108497.0645 300.3319 -160755.8390 -108143.7321 300.0213 251.4105 280.1811 762161.9936 13.4666 13.4423 PRESSURE: 426000 -338.182 -39.3312 -7.97595 -39.3308 167.432 -166.487 -7.97598 -166.486 -143.261 GPRESSURE: 426000 -304.617 -88.0845 35.2371 4.80918 58.9643 -181.184 -87.5816 -118.343 -14.0996 PRESSAVG: 426000 -2.85979 24.9815 61.8349 24.9815 10.0018 -11.1146 61.8349 -11.1145 -4.5293 GPRESSAVG: 426000 -2.68852 25.4803 62.6181 25.1895 10.108 -9.78051 62.7131 -13.189 -4.97054 TIMING: 426000 CPU: 1328.35, 0.00309636/step Wall: 1328.35, 0.00309636/step, 3.9341 hours remaining, 235.648438 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: 426000 4033.3533 20706.3281 14463.4151 227.0343 -202604.3779 2554.9667 0.0000 0.0000 52078.8439 -108540.4366 299.2978 -160619.2805 -108184.4572 300.4679 -104.6703 -86.5843 765368.4360 0.8709 0.8163 PRESSURE: 426200 69.3686 -12.8313 -173.308 -12.8324 318.332 -38.0092 -173.308 -38.0081 -23.9283 GPRESSURE: 426200 163.611 -122.584 -202.618 70.5904 284.527 -69.2811 -132.96 -12.4925 -14.8264 PRESSAVG: 426200 -6.11784 -26.7735 13.9163 -26.7735 12.7333 -26.9045 13.9163 -26.9045 -9.02566 GPRESSAVG: 426200 -5.63443 -26.8964 17.0405 -27.93 12.8035 -28.1231 11.6477 -26.6706 -9.70578 TIMING: 426200 CPU: 1328.97, 0.00309851/step Wall: 1328.97, 0.00309851/step, 3.93666 hours remaining, 235.648438 MB of memory in use. ENERGY: 426200 3991.1153 20611.8432 14479.8997 245.6685 -203514.4017 3240.5136 0.0000 0.0000 52000.2471 -108945.1143 298.8461 -160945.3614 -108589.7473 299.2466 121.2574 144.4371 763968.8397 -0.8034 -0.8456 PRESSURE: 426400 81.1386 -55.9203 -32.0262 -55.9206 10.7976 82.4491 -32.0257 82.4494 227.362 GPRESSURE: 426400 49.4194 -50.6494 -56.0925 131.764 80.7675 39.8626 105.829 154.676 270.779 PRESSAVG: 426400 6.6115 12.0048 -10.1578 12.0048 -1.63134 4.24604 -10.1578 4.24611 -13.3406 GPRESSAVG: 426400 6.22573 12.208 -11.9254 13.6399 -1.92628 3.90935 -8.15155 5.6128 -12.4225 TIMING: 426400 CPU: 1329.59, 0.00310323/step Wall: 1329.59, 0.00310323/step, 3.94248 hours remaining, 235.648438 MB of memory in use. ENERGY: 426400 3971.8520 20468.8354 14405.2194 236.9158 -202904.1607 2699.0244 0.0000 0.0000 52142.5602 -108979.7536 299.6640 -161122.3138 -108621.7128 298.8556 106.4328 133.6552 764332.9801 -2.7868 -2.7077 PRESSURE: 426600 254.211 -96.5561 -137.783 -96.556 -43.631 220.93 -137.783 220.929 171.53 GPRESSURE: 426600 231.324 -102.689 -191.071 -96.2237 17.1164 180.311 -120.755 125.914 221.463 PRESSAVG: 426600 49.5413 -34.1372 19.8907 -34.1372 -59.8443 19.9527 19.8907 19.9527 2.34128 GPRESSAVG: 426600 49.271 -35.3668 18.9335 -34.096 -58.5154 21.3388 20.4373 20.0505 1.92755 TIMING: 426600 CPU: 1330.21, 0.00309223/step Wall: 1330.21, 0.00309223/step, 3.92834 hours remaining, 235.648438 MB of memory in use. ENERGY: 426600 4028.9975 20460.3087 14448.9700 246.9441 -203260.0272 3008.0095 0.0000 0.0000 51953.4917 -109113.3057 298.5774 -161066.7974 -108755.5446 298.8931 127.3698 156.6345 764559.4105 -2.6539 -2.4390 PRESSURE: 426800 -59.5073 302.587 -88.1731 302.587 41.2407 -46.0204 -88.1726 -46.0214 167.939 GPRESSURE: 426800 -22.2749 253.782 -130.254 250.818 -34.9629 -38.9324 23.6692 13.9486 292.259 PRESSAVG: 426800 -13.1975 -26.0451 5.0778 -26.0451 16.3596 -33.8354 5.07793 -33.8354 15.1718 GPRESSAVG: 426800 -12.3241 -23.7915 6.77897 -25.0023 15.204 -35.5615 2.71364 -33.386 15.9935 TIMING: 426800 CPU: 1330.82, 0.0030854/step Wall: 1330.82, 0.0030854/step, 3.91949 hours remaining, 235.648438 MB of memory in use. ENERGY: 426800 4082.5561 20267.7440 14405.3028 247.7308 -203003.8280 3053.5183 0.0000 0.0000 51872.5222 -109074.4538 298.1121 -160946.9760 -108712.5599 299.0203 49.8906 78.3403 764499.0817 6.1113 6.2911 PRESSURE: 427000 90.4399 -78.239 61.1224 -78.2392 -125.792 -64.5028 61.1211 -64.5017 264.749 GPRESSURE: 427000 75.7408 -183.315 -6.49662 -88.5673 -29.8647 -91.5389 203.449 -115.844 279.366 PRESSAVG: 427000 60.1621 -6.93948 -7.40505 -6.93955 4.35026 -44.9534 -7.40502 -44.9534 10.3542 GPRESSAVG: 427000 60.9943 -6.96775 -9.34162 -9.52938 3.59254 -44.4995 -4.98159 -45.5288 9.80826 TIMING: 427000 CPU: 1331.44, 0.00309934/step Wall: 1331.44, 0.00309934/step, 3.93702 hours remaining, 235.648438 MB of memory in use. ENERGY: 427000 3964.2386 20607.0395 14491.7710 246.5762 -203286.1845 2699.8861 0.0000 0.0000 52309.6016 -108967.0714 300.6240 -161276.6730 -108603.5297 299.3929 76.4654 108.4141 763346.5686 24.9555 24.7984 PRESSURE: 427200 84.2968 -20.6011 -36.1257 -20.6025 -88.7714 70.8169 -36.1256 70.8173 -174.394 GPRESSURE: 427200 8.78033 -82.0515 3.52916 -51.0472 20.8558 55.4322 -22.5698 47.0438 -108.875 PRESSAVG: 427200 33.034 -6.43001 16.9346 -6.43 -15.8861 -7.47969 16.9347 -7.47974 5.34094 GPRESSAVG: 427200 31.3308 -7.26172 17.1888 -5.57938 -13.0874 -5.75004 15.5986 -11.3379 4.04648 TIMING: 427200 CPU: 1332.06, 0.00309097/step Wall: 1332.06, 0.00309097/step, 3.92621 hours remaining, 235.648438 MB of memory in use. ENERGY: 427200 4020.5398 20588.5194 14450.3510 271.5038 -202951.5088 2770.6770 0.0000 0.0000 51942.2761 -108907.6417 298.5130 -160849.9179 -108556.1125 299.2983 -59.6228 -26.4129 762866.0186 7.4963 7.4300 PRESSURE: 427400 33.0661 -179.74 211.996 -179.74 -267.792 -108.003 211.996 -108.003 57.1323 GPRESSURE: 427400 101.25 -252.44 113.578 -114.959 -265.736 -104.935 184.49 -12.9227 69.183 PRESSAVG: 427400 -20.2623 8.4571 20.1535 8.45712 0.950184 -39.9642 20.1535 -39.9642 36.3798 GPRESSAVG: 427400 -19.8365 7.23047 20.3228 9.00943 0.325327 -41.5485 19.9408 -37.003 36.7598 TIMING: 427400 CPU: 1332.68, 0.00308044/step Wall: 1332.68, 0.00308044/step, 3.91267 hours remaining, 235.648438 MB of memory in use. ENERGY: 427400 3986.7013 20425.0901 14418.0700 245.6012 -203169.3656 2841.9453 0.0000 0.0000 52393.5499 -108858.4077 301.1065 -161251.9576 -108485.2508 299.6316 -59.1980 -31.7675 762923.6626 5.6892 5.7496 PRESSURE: 427600 128.676 -28.9224 -153.88 -28.9227 -60.5634 -2.8494 -153.879 -2.84985 -253.074 GPRESSURE: 427600 158.182 -2.17803 -132.207 -30.2311 -36.0179 105.521 -92.6597 -229.857 -221.89 PRESSAVG: 427600 77.2741 -20.0067 -30.4642 -20.0067 -26.7269 -24.8206 -30.4643 -24.8205 9.13906 GPRESSAVG: 427600 78.5113 -19.6961 -30.0782 -20.5959 -28.7114 -25.2788 -30.07 -24.3881 9.6763 TIMING: 427600 CPU: 1333.3, 0.00309201/step Wall: 1333.3, 0.00309201/step, 3.9272 hours remaining, 235.648438 MB of memory in use. ENERGY: 427600 4052.1553 20566.3114 14470.8733 236.7318 -202689.9051 2474.8119 0.0000 0.0000 52012.2936 -108876.7276 298.9154 -160889.0213 -108531.6297 299.9255 -61.6537 -33.2418 763044.1351 19.8954 19.8254 PRESSURE: 427800 146.864 12.0799 123.483 12.0799 -308.93 -65.1005 123.483 -65.0996 279.697 GPRESSURE: 427800 220.895 23.9748 11.5227 0.00663716 -217.358 38.3232 142.63 -66.9419 182.214 PRESSAVG: 427800 -33.546 7.16924 12.4417 7.1692 20.4692 -12.2497 12.4418 -12.2497 -9.54514 GPRESSAVG: 427800 -35.1621 7.15382 11.5953 8.88024 22.7844 -11.8924 13.1415 -11.9732 -10.4486 TIMING: 427800 CPU: 1333.92, 0.00309368/step Wall: 1333.92, 0.00309368/step, 3.92915 hours remaining, 235.648438 MB of memory in use. ENERGY: 427800 4024.7685 20540.2273 14424.4464 265.7053 -203305.6257 2963.8411 0.0000 0.0000 52167.7062 -108918.9308 299.8085 -161086.6371 -108557.6915 299.1260 39.2106 61.9166 761677.7726 -7.5407 -7.6088 PRESSURE: 428000 363.551 23.742 119.227 23.7416 193.172 -372.393 119.228 -372.393 -415.249 GPRESSURE: 428000 362.663 -16.9145 153.674 1.58258 185.092 -407.089 86.2678 -285.547 -345.43 PRESSAVG: 428000 14.2603 77.9482 70.0745 77.9483 -10.9655 3.68101 70.0745 3.68099 3.95592 GPRESSAVG: 428000 15.4859 79.2337 69.4114 75.0781 -13.7797 2.97698 69.5139 5.05019 4.64393 TIMING: 428000 CPU: 1334.53, 0.00309486/step Wall: 1334.53, 0.00309485/step, 3.93046 hours remaining, 235.648438 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: 428000 4013.5619 20371.2774 14486.3129 238.3791 -203242.3281 3053.8121 0.0000 0.0000 51924.9566 -109154.0279 298.4134 -161078.9846 -108799.4550 299.1496 47.1579 67.4416 764089.5984 2.4169 2.1167 PRESSURE: 428200 -144.626 -142.795 42.7194 -142.795 -468.123 125.332 42.7182 125.333 -195.881 GPRESSURE: 428200 -177.952 -135.296 121.449 -228.523 -366.575 71.252 72.2098 110.527 -177.462 PRESSAVG: 428200 23.9949 12.4505 -4.99842 12.4505 -19.5136 -40.9035 -4.99843 -40.9035 -27.3408 GPRESSAVG: 428200 23.5811 14.1803 -1.13373 12.3348 -17.7527 -40.4216 -7.43816 -43.1647 -28.5962 TIMING: 428200 CPU: 1335.15, 0.00309089/step Wall: 1335.15, 0.0030909/step, 3.92527 hours remaining, 235.648438 MB of memory in use. ENERGY: 428200 3994.9744 20349.3903 14376.9466 248.5008 -202898.3274 2734.3512 0.0000 0.0000 51885.1510 -109309.0131 298.1847 -161194.1641 -108945.3617 298.1838 -269.5435 -240.6630 764960.0488 -7.6198 -7.5893 LDB: ============= START OF LOAD BALANCING ============== 1347.63 LDB: ============== END OF LOAD BALANCING =============== 1347.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1347.63 LDB: ============= START OF LOAD BALANCING ============== 1347.94 LDB: Largest compute 7052 load 0.031318 is 16.1% of average load 0.194831 LDB: Average compute 0.004384 is 2.2% of average load 0.194831 LDB: TIME 1347.94 LOAD: AVG 0.194831 MAX 0.217405 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.125 MB LDB: TIME 1347.94 LOAD: AVG 0.194831 MAX 0.217405 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.328 MB LDB: TIME 1347.94 LOAD: AVG 0.194831 MAX 0.217405 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.328 MB LDB: ============== END OF LOAD BALANCING =============== 1347.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1347.95 PRESSURE: 428400 -423.594 -39.5065 60.7515 -39.5069 164.84 -53.3913 60.7511 -53.3901 111.181 GPRESSURE: 428400 -373.242 -29.0482 -8.39734 -142.869 255.201 22.971 70.869 -116.179 50.6147 PRESSAVG: 428400 -3.5555 -63.1153 2.60658 -63.1153 52.7172 -16.4774 2.60656 -16.4774 -5.23139 GPRESSAVG: 428400 -4.1701 -67.0867 0.008714 -59.7278 52.7221 -14.6235 3.82598 -15.3406 -5.12051 TIMING: 428400 CPU: 1335.79, 0.00316222/step Wall: 1335.79, 0.00316222/step, 4.01567 hours remaining, 233.386719 MB of memory in use. ENERGY: 428400 4049.3356 20445.2686 14428.8554 242.9729 -203261.3719 2815.8391 0.0000 0.0000 51976.7261 -109302.3743 298.7110 -161279.1004 -108950.1888 298.7476 -49.1906 -22.4756 762470.9432 14.6434 14.4771 PRESSURE: 428600 1.45586 -9.25262 200.286 -9.25211 194.67 -209.302 200.286 -209.301 -36.3037 GPRESSURE: 428600 4.72738 -19.3508 122.122 43.2557 220.165 -196.702 148.729 -223.865 10.9345 PRESSAVG: 428600 -20.7756 -23.3164 27.2596 -23.3165 38.7219 -40.4982 27.2596 -40.4981 5.65246 GPRESSAVG: 428600 -20.088 -21.5107 27.8191 -24.666 37.2693 -42.0527 29.0225 -41.347 5.68795 TIMING: 428600 CPU: 1336.4, 0.0030941/step Wall: 1336.4, 0.0030941/step, 3.92899 hours remaining, 233.386719 MB of memory in use. ENERGY: 428600 4034.7852 20239.9159 14488.8067 243.9360 -203061.1290 3053.7036 0.0000 0.0000 51704.6400 -109295.3416 297.1473 -160999.9817 -108926.6341 298.6281 53.2742 78.6088 763144.7249 7.8662 7.6231 PRESSURE: 428800 -351.84 -80.5495 16.6468 -80.5497 -133.366 -130.648 16.6463 -130.647 175.05 GPRESSURE: 428800 -278.194 -71.2119 -46.7411 -101.636 -134.865 -149.221 105.849 -133.722 186.298 PRESSAVG: 428800 -52.6998 52.1392 1.58378 52.1393 9.65575 -35.709 1.58379 -35.709 -2.73737 GPRESSAVG: 428800 -50.5961 52.5361 0.238557 53.1767 9.10692 -34.371 0.869387 -36.8375 -3.58473 TIMING: 428800 CPU: 1337.02, 0.00308625/step Wall: 1337.02, 0.00308625/step, 3.91885 hours remaining, 233.386719 MB of memory in use. ENERGY: 428800 3904.5537 20402.7361 14440.2970 218.7842 -203046.1933 2735.6690 0.0000 0.0000 52225.8654 -109118.2879 300.1428 -161344.1533 -108761.1260 298.5837 -103.3854 -75.5871 763269.2122 -15.2605 -15.0246 PRESSURE: 429000 -105.548 172.936 -123.683 172.935 -402.929 -508.374 -123.683 -508.374 -246.846 GPRESSURE: 429000 -73.349 184.746 -171.375 343.453 -321.678 -545.474 -145.579 -494.967 -270.437 PRESSAVG: 429000 -2.8407 -12.833 -26.2523 -12.833 30.3844 -34.9283 -26.2523 -34.9284 21.0324 GPRESSAVG: 429000 -4.77686 -14.8191 -25.3987 -11.4429 31.4255 -33.1166 -25.7261 -33.8606 22.2393 TIMING: 429000 CPU: 1337.64, 0.00308373/step Wall: 1337.64, 0.00308373/step, 3.91549 hours remaining, 233.386719 MB of memory in use. ENERGY: 429000 3918.7393 20484.4713 14463.1529 254.1353 -202987.1157 2680.1332 0.0000 0.0000 52063.4171 -109123.0668 299.2092 -161186.4839 -108765.9202 298.7340 -251.7745 -221.8215 762415.8679 16.1920 16.2960 PRESSURE: 429200 89.5682 -117.991 -269.666 -117.991 -416.442 -111.717 -269.666 -111.717 124.874 GPRESSURE: 429200 112.914 -54.7257 -276.217 -59.8393 -360.684 -123.448 -192.791 -82.1099 142.421 PRESSAVG: 429200 19.6838 21.1124 -42.3101 21.1124 -31.8153 -13.99 -42.31 -13.99 35.4489 GPRESSAVG: 429200 19.806 23.6083 -42.3838 16.6329 -31.5722 -15.0503 -41.4026 -14.7767 35.2186 TIMING: 429200 CPU: 1338.26, 0.00309069/step Wall: 1338.26, 0.00309068/step, 3.92414 hours remaining, 233.386719 MB of memory in use. ENERGY: 429200 3955.6319 20431.5304 14473.4233 252.2942 -202844.1648 2678.9723 0.0000 0.0000 51946.5396 -109105.7729 298.5375 -161052.3126 -108739.3712 299.3704 -67.3335 -35.1163 765282.0888 7.7724 7.8175 PRESSURE: 429400 -145.476 -156.002 117.392 -156.002 42.1618 100.248 117.393 100.248 114.276 GPRESSURE: 429400 -141.803 -75.0031 73.8946 -65.8962 63.9086 37.4932 145.161 109.595 181.192 PRESSAVG: 429400 8.70849 -13.7773 11.8819 -13.7773 3.28446 31.5747 11.8819 31.5747 -7.9978 GPRESSAVG: 429400 9.34411 -13.3313 10.1728 -10.1239 2.61445 29.6516 12.0478 32.4443 -7.65485 TIMING: 429400 CPU: 1338.88, 0.00310101/step Wall: 1338.88, 0.00310101/step, 3.93707 hours remaining, 233.386719 MB of memory in use. ENERGY: 429400 3900.4998 20627.7214 14411.4123 271.1705 -203162.1606 3023.4819 0.0000 0.0000 51926.8306 -109001.0441 298.4242 -160927.8747 -108655.5515 298.8798 3.6537 34.4327 764777.3136 1.3317 1.4346 PRESSURE: 429600 -147.094 116.432 244.322 116.431 206.961 93.5848 244.323 93.5845 31.3921 GPRESSURE: 429600 -140.495 113.641 137.366 123.879 244.337 36.0734 230.988 74.3395 41.5857 PRESSAVG: 429600 -9.16919 -44.3316 76.7464 -44.3315 -13.6096 7.5627 76.7464 7.56261 7.30519 GPRESSAVG: 429600 -10.5376 -43.5582 77.5645 -46.9339 -12.3702 8.49333 76.2674 6.72049 7.42073 TIMING: 429600 CPU: 1339.49, 0.00308406/step Wall: 1339.49, 0.00308406/step, 3.91539 hours remaining, 233.386719 MB of memory in use. ENERGY: 429600 4014.7758 20539.6373 14398.5629 256.6460 -203090.9107 2957.9892 0.0000 0.0000 51840.8173 -109082.4822 297.9299 -160923.2995 -108719.8823 298.7928 30.4196 48.4759 764206.8038 -5.1579 -5.1624 PRESSURE: 429800 339.558 35.3524 147.596 35.3525 -96.8249 19.754 147.595 19.7545 276.849 GPRESSURE: 429800 303.056 113.375 156.455 40.6712 -33.5332 129.098 94.4076 -17.0855 316.61 PRESSAVG: 429800 -5.93677 -1.95416 11.1957 -1.9541 -10.6172 -3.64929 11.1957 -3.64934 -4.25411 GPRESSAVG: 429800 -4.78953 -2.60938 12.0193 -0.629853 -10.935 -3.58296 9.91888 -2.42756 -5.04366 TIMING: 429800 CPU: 1340.11, 0.00308936/step Wall: 1340.11, 0.00308936/step, 3.92194 hours remaining, 233.386719 MB of memory in use. ENERGY: 429800 4011.7045 20545.6836 14486.8174 233.6765 -203262.0771 3002.8726 0.0000 0.0000 52103.4357 -108877.8869 299.4392 -160981.3226 -108512.4755 299.0818 173.1939 195.3776 763378.0141 -6.9360 -6.9227 PRESSURE: 430000 52.0787 20.8794 39.8591 20.8794 -69.3806 36.8596 39.8597 36.8598 -0.847867 GPRESSURE: 430000 87.9951 -15.1269 14.5896 108.114 -73.1251 64.0927 27.4563 119.494 49.8449 PRESSAVG: 430000 24.1649 11.1868 39.4294 11.1868 -43.2147 -32.8887 39.4295 -32.8887 29.3361 GPRESSAVG: 430000 25.4019 12.588 39.4928 11.0958 -44.0933 -33.2691 41.6049 -32.4329 28.7117 TIMING: 430000 CPU: 1340.73, 0.00309602/step Wall: 1340.73, 0.00309602/step, 3.93022 hours remaining, 233.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 430000 4005.3386 20465.1364 14426.2857 242.9598 -202515.3119 2532.9502 0.0000 0.0000 51996.0430 -108846.5982 298.8220 -160842.6412 -108489.2502 299.3393 -6.0499 21.5716 765187.9553 3.4288 3.3401 PRESSURE: 430200 158.877 124.707 -39.3091 124.708 -261.919 -124.904 -39.3088 -124.905 258.963 GPRESSURE: 430200 201.969 184.164 -92.7411 27.8574 -206.231 -95.9531 65.2645 -186.588 273.117 PRESSAVG: 430200 2.94471 -19.8924 24.6089 -19.8924 -62.8576 28.7379 24.6088 28.7379 9.72761 GPRESSAVG: 430200 1.86502 -21.0299 23.1766 -22.0815 -61.642 28.1703 24.2285 28.0165 10.3074 TIMING: 430200 CPU: 1341.35, 0.00311129/step Wall: 1341.35, 0.00311129/step, 3.94944 hours remaining, 233.386719 MB of memory in use. ENERGY: 430200 4087.8005 20300.9846 14426.1554 263.8376 -203491.4255 3050.7332 0.0000 0.0000 52210.5091 -109151.4050 300.0545 -161361.9141 -108789.0961 298.8880 51.9736 89.6182 764410.4814 -16.7284 -16.4899 PRESSURE: 430400 -144.433 67.2241 -87.0286 67.2252 -347.116 -14.4542 -87.0281 -14.4533 44.2599 GPRESSURE: 430400 -195.426 175.949 -153.815 68.2904 -194.918 53.4055 90.652 -56.5762 26.6903 PRESSAVG: 430400 76.999 -9.42769 2.62667 -9.42765 -51.6376 -7.86177 2.62665 -7.8618 36.8532 GPRESSAVG: 430400 76.0934 -10.0053 4.56785 -6.4134 -50.3922 -5.66425 0.986981 -10.1248 36.3556 TIMING: 430400 CPU: 1341.97, 0.0030854/step Wall: 1341.97, 0.0030854/step, 3.9164 hours remaining, 233.386719 MB of memory in use. ENERGY: 430400 4013.1103 20557.4615 14425.1693 246.4207 -202928.3424 2673.8079 0.0000 0.0000 51777.3723 -109235.0004 297.5653 -161012.3727 -108878.9915 298.7201 -149.0965 -121.2181 764717.7345 20.7382 20.6856 PRESSURE: 430600 215.21 -160.897 -85.7987 -160.897 -676.149 -163.278 -85.7996 -163.278 -131.465 GPRESSURE: 430600 205.141 -124.85 -168.203 -148.738 -604.578 -124.822 -91.2562 -70.3472 -122.729 PRESSAVG: 430600 25.559 -31.9008 24.2216 -31.9008 -52.7837 -32.1382 24.2216 -32.1382 -9.63722 GPRESSAVG: 430600 27.2969 -31.7695 25.1809 -32.8976 -54.0809 -34.0796 23.6706 -29.599 -9.31598 TIMING: 430600 CPU: 1342.59, 0.00310121/step Wall: 1342.59, 0.00310121/step, 3.9363 hours remaining, 233.386719 MB of memory in use. ENERGY: 430600 4036.2110 20359.7108 14430.2176 231.5192 -203014.5204 2727.1260 0.0000 0.0000 52005.3439 -109224.3920 298.8754 -161229.7359 -108859.9268 298.6532 -197.4678 -174.0554 764799.3253 -12.2873 -12.0333 PRESSURE: 430800 42.9303 -17.7514 -313.641 -17.7522 159.71 139.221 -313.642 139.219 36.059 GPRESSURE: 430800 80.8047 18.9543 -360.325 -21.6174 221.319 178.314 -163.206 51.4667 27.9805 PRESSAVG: 430800 9.05155 -30.6892 -36.8253 -30.6892 -50.5342 1.75978 -36.8253 1.75972 -0.160375 GPRESSAVG: 430800 8.05977 -30.16 -37.2609 -32.0389 -49.8503 1.24821 -36.9227 0.647247 0.618793 TIMING: 430800 CPU: 1343.21, 0.00310074/step Wall: 1343.21, 0.00310074/step, 3.93553 hours remaining, 233.386719 MB of memory in use. ENERGY: 430800 3958.5146 20375.2017 14455.1485 248.5419 -203224.4920 2860.1274 0.0000 0.0000 51979.7491 -109347.2088 298.7283 -161326.9579 -108986.4242 298.2578 79.5665 110.0347 763634.3547 -13.8810 -13.7239 PRESSURE: 431000 -39.3808 88.5865 104.369 88.5861 -32.1272 270.365 104.37 270.366 -214.046 GPRESSURE: 431000 -92.0688 251.902 200.39 -25.2019 -9.08389 323.918 -22.8917 161.6 -110.665 PRESSAVG: 431000 52.0012 -1.56853 -67.3598 -1.56854 -58.163 36.5287 -67.3597 36.5286 -13.7549 GPRESSAVG: 431000 53.3431 -3.5188 -67.4731 -2.00955 -58.9858 39.3623 -65.0807 36.2025 -14.2771 TIMING: 431000 CPU: 1343.83, 0.00309076/step Wall: 1343.83, 0.00309076/step, 3.92269 hours remaining, 233.386719 MB of memory in use. ENERGY: 431000 4002.5034 20491.3332 14428.0251 278.2743 -203387.0034 2938.8206 0.0000 0.0000 52059.8857 -109188.1611 299.1889 -161248.0468 -108826.0534 299.0770 -95.1848 -70.6058 765314.2144 -6.6389 -6.6399 PRESSURE: 431200 -212.098 -95.4781 -103.387 -95.478 -498.808 200.011 -103.387 200.011 -14.5665 GPRESSURE: 431200 -189.234 -7.51214 -132.449 -25.2766 -445.635 277.782 -66.2106 2.49788 -13.409 PRESSAVG: 431200 52.1905 58.9567 22.6528 58.9567 -89.1233 6.87664 22.6528 6.87657 -20.2179 GPRESSAVG: 431200 50.0371 59.2957 20.2646 62.0346 -88.4129 4.52391 21.5609 6.59086 -18.6303 TIMING: 431200 CPU: 1344.44, 0.00308212/step Wall: 1344.44, 0.00308212/step, 3.91155 hours remaining, 233.386719 MB of memory in use. ENERGY: 431200 3973.6056 20665.4088 14394.7231 235.1103 -202898.3993 2569.5444 0.0000 0.0000 51947.1036 -109112.9035 298.5407 -161060.0071 -108751.6581 298.8242 -241.8243 -216.0930 765210.5930 -19.0502 -19.0020 PRESSURE: 431400 109.744 154.683 25.7843 154.681 162.209 89.99 25.7845 89.9906 -102.051 GPRESSURE: 431400 144.135 84.7943 21.9149 166.675 190.284 92.4814 40.0772 44.0561 -63.9901 PRESSAVG: 431400 46.3211 27.2035 -23.9603 27.2035 -30.5239 -1.69866 -23.9603 -1.69859 -33.5561 GPRESSAVG: 431400 48.0035 27.4555 -23.7214 25.1921 -32.1807 -0.88836 -23.1965 -1.53039 -33.4762 TIMING: 431400 CPU: 1345.06, 0.00308706/step Wall: 1345.06, 0.00308706/step, 3.91765 hours remaining, 233.386719 MB of memory in use. ENERGY: 431400 4072.8144 20495.7166 14406.5910 262.7876 -203480.8251 3105.0372 0.0000 0.0000 52056.2018 -109081.6766 299.1677 -161137.8784 -108735.3094 298.7763 56.6340 90.1429 763199.5753 -5.9196 -5.8845 PRESSURE: 431600 152.551 22.2189 -76.3516 22.2187 1.27021 -4.92915 -76.3509 -4.929 157.216 GPRESSURE: 431600 182.16 -60.0363 7.2886 -9.38417 94.249 -46.5896 -96.8053 41.3187 134.016 PRESSAVG: 431600 10.3715 -30.4728 14.6421 -30.4728 -7.33903 19.6116 14.6421 19.6116 4.70061 GPRESSAVG: 431600 8.97778 -29.5688 15.9823 -31.3557 -4.8039 19.2317 14.3658 19.2791 3.91879 TIMING: 431600 CPU: 1345.68, 0.00308449/step Wall: 1345.68, 0.00308449/step, 3.91422 hours remaining, 233.386719 MB of memory in use. ENERGY: 431600 3920.5428 20461.6930 14366.3198 236.9500 -203192.0443 3029.2841 0.0000 0.0000 52267.9904 -108909.2642 300.3849 -161177.2546 -108547.9164 298.9009 103.6791 136.8083 764130.7095 2.5777 2.6976 PRESSURE: 431800 267.431 23.5186 168.511 23.5193 200.064 69.0793 168.511 69.0794 279.462 GPRESSURE: 431800 288.515 -50.3933 97.6132 43.7022 213.959 57.5943 144.641 49.8498 329.816 PRESSAVG: 431800 -19.0148 -20.4043 -47.9095 -20.4043 9.68478 8.80981 -47.9094 8.80982 -26.4557 GPRESSAVG: 431800 -17.4278 -21.0381 -47.6548 -18.4714 8.63006 10.1152 -50.542 10.4387 -27.1522 TIMING: 431800 CPU: 1346.3, 0.00310607/step Wall: 1346.3, 0.00310607/step, 3.94143 hours remaining, 233.386719 MB of memory in use. ENERGY: 431800 3922.5072 20727.8625 14431.7326 258.1388 -203419.1189 3091.1346 0.0000 0.0000 51862.4614 -109125.2818 298.0543 -160987.7433 -108767.1230 299.0651 248.9858 277.4302 761200.7437 -11.9286 -11.9833 PRESSURE: 432000 -2.82037 -37.4109 325.95 -37.4109 -140.247 197.483 325.951 197.483 -164.791 GPRESSURE: 432000 23.9397 37.5585 357.94 -99.9216 -178.496 173.629 179.404 265.473 -60.9755 PRESSAVG: 432000 39.0592 -28.7886 -68.6733 -28.7886 -74.313 82.8214 -68.6734 82.8214 -10.6068 GPRESSAVG: 432000 38.8792 -29.013 -69.8521 -30.2951 -74.4747 82.1227 -66.3667 78.422 -10.0946 TIMING: 432000 CPU: 1346.92, 0.00310809/step Wall: 1346.92, 0.00310809/step, 3.94382 hours remaining, 233.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 432000 4032.7221 20350.1233 14381.3924 234.4623 -203242.2192 2889.4460 0.0000 0.0000 52144.0012 -109210.0720 299.6723 -161354.0732 -108849.4207 298.6040 -102.6193 -71.8440 762758.6930 -15.2869 -15.2301 PRESSURE: 432200 -12.9139 50.4485 -297.681 50.4489 -250.737 -70.7391 -297.68 -70.7393 -205.768 GPRESSURE: 432200 51.9773 97.1736 -328.447 78.4004 -167.495 -47.5707 -290.001 -28.9598 -260.586 PRESSAVG: 432200 12.3073 -31.6158 -44.8071 -31.6158 -5.11727 35.7296 -44.8071 35.7296 -2.36504 GPRESSAVG: 432200 12.3762 -32.9774 -44.5016 -29.5535 -5.62126 36.5642 -44.7419 38.4604 -2.29975 TIMING: 432200 CPU: 1347.54, 0.00309324/step Wall: 1347.54, 0.00309324/step, 3.9248 hours remaining, 233.386719 MB of memory in use. ENERGY: 432200 4018.3084 20549.6443 14353.2400 241.0878 -203397.3626 2886.5971 0.0000 0.0000 52022.5110 -109325.9742 298.9741 -161348.4851 -108967.1274 298.5740 -156.4727 -125.3681 763966.1921 1.6083 1.4850 LDB: ============= START OF LOAD BALANCING ============== 1360.02 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1360.02 LDB: =============== DONE WITH MIGRATION ================ 1360.02 LDB: ============= START OF LOAD BALANCING ============== 1360.33 LDB: Largest compute 7052 load 0.032524 is 16.7% of average load 0.194958 LDB: Average compute 0.004380 is 2.2% of average load 0.194958 LDB: TIME 1360.33 LOAD: AVG 0.194958 MAX 0.216409 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.328 MB LDB: TIME 1360.33 LOAD: AVG 0.194958 MAX 0.216409 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.332 MB LDB: TIME 1360.33 LOAD: AVG 0.194958 MAX 0.216409 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.332 MB LDB: ============== END OF LOAD BALANCING =============== 1360.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1360.34 PRESSURE: 432400 -98.0319 -237.46 81.6805 -237.46 -202.784 -91.6988 81.6806 -91.6996 111.445 GPRESSURE: 432400 -43.8546 -203.478 62.8365 -174.304 -190.766 -26.9463 132.877 -34.6539 136.45 PRESSAVG: 432400 10.3688 3.7358 -49.6292 3.73579 -9.0105 -37.5891 -49.6292 -37.5891 8.68256 GPRESSAVG: 432400 10.3258 7.38343 -48.8716 2.95758 -8.78163 -36.5685 -48.2162 -36.5279 8.67809 TIMING: 432400 CPU: 1348.17, 0.00315793/step Wall: 1348.17, 0.00315793/step, 4.00672 hours remaining, 233.328125 MB of memory in use. ENERGY: 432400 3965.3311 20582.5803 14470.7034 260.1898 -203280.2513 2887.4418 0.0000 0.0000 52024.6248 -109089.3800 298.9862 -161114.0048 -108727.4444 298.4310 -63.1236 -32.7236 763142.3933 3.3469 3.4074 PRESSURE: 432600 173.423 129.888 -9.07756 129.889 -146.348 -261.211 -9.07808 -261.21 -426.559 GPRESSURE: 432600 204.061 72.6284 82.6408 36.2535 -153.88 -245.179 -83.1558 -300.938 -362.944 PRESSAVG: 432600 2.9909 35.3769 -7.90394 35.3769 20.0772 38.423 -7.90394 38.4231 -31.2293 GPRESSAVG: 432600 2.4907 34.1635 -9.4271 34.247 20.5595 37.2111 -8.8728 37.0724 -30.71 TIMING: 432600 CPU: 1348.79, 0.00308842/step Wall: 1348.79, 0.00308842/step, 3.91835 hours remaining, 233.328125 MB of memory in use. ENERGY: 432600 3979.5254 20425.8516 14353.6851 269.4584 -203567.4008 3042.5401 0.0000 0.0000 52139.1783 -109357.1619 299.6446 -161496.3402 -108981.5751 299.5888 -133.1612 -104.2541 762604.2326 -2.7204 -2.5533 PRESSURE: 432800 -183.579 -70.0127 3.57728 -70.0123 95.9872 29.7006 3.57714 29.7004 56.9788 GPRESSURE: 432800 -130.72 -40.7838 -37.8965 13.8342 83.9916 98.503 38.269 61.1145 77.3772 PRESSAVG: 432800 -17.4227 0.37351 27.3848 0.37348 35.108 23.4917 27.3847 23.4916 25.6054 GPRESSAVG: 432800 -17.5422 -0.154005 27.7367 1.389 35.2545 22.8057 28.1168 25.6504 25.1789 TIMING: 432800 CPU: 1349.41, 0.00309447/step Wall: 1349.41, 0.00309447/step, 3.92585 hours remaining, 233.328125 MB of memory in use. ENERGY: 432800 4039.3683 20475.2957 14468.2809 243.8204 -202945.2082 2737.0247 0.0000 0.0000 51686.7717 -109294.6465 297.0446 -160981.4182 -108943.1098 298.5030 -10.2042 10.2163 764301.5810 14.4302 14.2971 PRESSURE: 433000 -12.6794 -45.4653 -121.192 -45.4657 -45.8747 -54.6521 -121.193 -54.652 -147.041 GPRESSURE: 433000 92.1272 -39.2873 -76.0796 -13.7387 -32.0327 -68.8967 -184.77 -53.2832 -198.234 PRESSAVG: 433000 1.00822 5.68593 51.2314 5.68591 6.92303 39.4619 51.2314 39.462 -26.987 GPRESSAVG: 433000 0.938684 9.19602 51.9874 3.60515 6.60632 38.9584 50.8148 37.9087 -26.2734 TIMING: 433000 CPU: 1350.03, 0.00308403/step Wall: 1350.03, 0.00308403/step, 3.91244 hours remaining, 233.328125 MB of memory in use. ENERGY: 433000 3928.0452 20462.8974 14439.3828 261.0331 -202782.9645 2591.0460 0.0000 0.0000 51768.4321 -109332.1279 297.5139 -161100.5600 -108975.8262 298.7602 -68.5316 -46.0465 763160.4793 -6.3519 -6.2428 PRESSURE: 433200 -271.819 -95.2407 78.9608 -95.2407 -6.32446 128.807 78.9615 128.808 105.896 GPRESSURE: 433200 -220.088 -122.52 62.3232 -17.3437 69.7677 44.8671 86.7974 43.093 48.7616 PRESSAVG: 433200 38.4068 -19.9816 6.87794 -19.9816 25.5287 16.3472 6.87798 16.3471 2.96502 GPRESSAVG: 433200 37.6666 -23.7376 6.9902 -18.0314 27.7572 17.202 6.77992 16.1802 1.33694 TIMING: 433200 CPU: 1350.64, 0.00309605/step Wall: 1350.64, 0.00309605/step, 3.92751 hours remaining, 233.328125 MB of memory in use. ENERGY: 433200 3947.8784 20522.8760 14481.1485 229.6557 -202885.2240 2441.4988 0.0000 0.0000 51871.4651 -109390.7015 298.1060 -161262.1666 -109024.9624 298.6940 -57.4158 -33.8530 764590.3321 22.3002 22.2536 PRESSURE: 433400 103.418 -78.6536 85.1294 -78.6536 282.706 85.9327 85.1299 85.9318 -3.04179 GPRESSURE: 433400 133.917 -156.31 44.5428 34.8221 274.001 4.41867 -13.8009 38.4241 64.4036 PRESSAVG: 433400 -36.7672 -5.57493 -16.3057 -5.57501 76.8833 -14.3053 -16.3057 -14.3054 4.32212 GPRESSAVG: 433400 -36.5412 -6.14829 -14.8726 -3.7682 75.0834 -14.9638 -17.9001 -14.3721 5.7068 TIMING: 433400 CPU: 1351.26, 0.00309152/step Wall: 1351.26, 0.00309152/step, 3.92159 hours remaining, 233.328125 MB of memory in use. ENERGY: 433400 4085.2793 20402.0947 14450.0263 241.4791 -203645.9207 3148.5742 0.0000 0.0000 52096.5468 -109221.9202 299.3996 -161318.4670 -108865.4601 298.3909 127.6942 157.4405 763343.2136 14.8127 14.7497 PRESSURE: 433600 -230.386 -74.1423 -20.6988 -74.1428 -9.18383 29.3544 -20.6992 29.3546 265.842 GPRESSURE: 433600 -76.8425 -81.035 -11.4698 -166.253 -39.5222 46.9714 -86.149 61.5707 238.784 PRESSAVG: 433600 -17.3818 -28.6012 -27.1515 -28.6013 50.2874 -16.4329 -27.1515 -16.4329 11.6418 GPRESSAVG: 433600 -17.4237 -27.5366 -29.0669 -30.6526 50.3555 -15.3013 -26.2522 -16.0628 11.944 TIMING: 433600 CPU: 1351.88, 0.00308304/step Wall: 1351.88, 0.00308304/step, 3.91066 hours remaining, 233.328125 MB of memory in use. ENERGY: 433600 3939.5782 20445.9989 14413.9117 223.0691 -203776.7684 3287.7889 0.0000 0.0000 52129.9507 -109336.4709 299.5915 -161466.4216 -108973.8126 298.7405 8.7573 40.8066 763861.3782 14.8492 14.9586 PRESSURE: 433800 -141.261 -90.199 237.641 -90.1993 83.3375 -13.41 237.641 -13.4091 -262.524 GPRESSURE: 433800 -31.1507 -56.2092 187.353 -1.42958 40.7576 -119.528 250.115 50.97 -253.261 PRESSAVG: 433800 -49.3526 -48.5345 -14.0485 -48.5344 14.9587 -12.9013 -14.0485 -12.9013 24.3108 GPRESSAVG: 433800 -47.7655 -46.4708 -12.7724 -48.3489 14.4246 -13.6884 -16.052 -11.0787 22.8446 TIMING: 433800 CPU: 1352.5, 0.00309201/step Wall: 1352.5, 0.00309201/step, 3.92188 hours remaining, 233.328125 MB of memory in use. ENERGY: 433800 3918.6136 20600.8330 14450.9314 255.6847 -203373.8293 2892.3162 0.0000 0.0000 52009.0548 -109246.3957 298.8968 -161255.4505 -108889.6117 298.5196 -106.8160 -81.2181 764992.9390 -3.3610 -3.4988 PRESSURE: 434000 -194.337 -235.953 69.9157 -235.953 192.672 49.1362 69.9157 49.1371 194.479 GPRESSURE: 434000 -122.435 -160.752 6.38024 -153.448 158.341 -29.3219 167.052 98.1591 221.426 PRESSAVG: 434000 -6.15797 -67.1141 -21.0403 -67.1141 -28.306 -14.0907 -21.0403 -14.0907 -6.82106 GPRESSAVG: 434000 -8.28915 -68.0159 -22.1875 -66.5343 -26.9482 -13.1771 -15.4999 -14.9532 -6.42649 TIMING: 434000 CPU: 1353.12, 0.00309594/step Wall: 1353.12, 0.00309594/step, 3.92668 hours remaining, 233.328125 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: 434000 3925.9806 20554.0489 14428.3136 276.5830 -203255.3346 2999.3244 0.0000 0.0000 51838.5732 -109232.5108 297.9170 -161071.0840 -108878.9888 298.4944 64.2714 85.7770 764603.6708 -13.7617 -13.8880 PRESSURE: 434200 -415.15 65.9954 123.089 65.995 -95.9392 -74.8102 123.089 -74.8117 -58.5277 GPRESSURE: 434200 -257.15 68.7214 121.902 94.9281 -171.41 24.6823 39.6601 -29.0053 -75.6871 PRESSAVG: 434200 11.223 -31.687 -48.8974 -31.687 -4.20395 -49.257 -48.8975 -49.2571 27.4612 GPRESSAVG: 434200 13.2998 -34.1529 -48.2588 -32.4981 -5.61276 -48.3579 -51.5751 -49.5135 27.2145 TIMING: 434200 CPU: 1353.74, 0.00309485/step Wall: 1353.74, 0.00309485/step, 3.92513 hours remaining, 233.328125 MB of memory in use. ENERGY: 434200 4022.4160 20468.5320 14458.3797 259.0761 -203361.8157 2805.9901 0.0000 0.0000 51955.1157 -109392.3061 298.5868 -161347.4218 -109036.7647 298.5111 -189.8722 -168.0823 764974.5697 11.4934 11.6339 PRESSURE: 434400 100.757 133.28 163.607 133.28 -257.893 227.084 163.607 227.084 -17.0691 GPRESSURE: 434400 74.3526 141.519 125.515 191.698 -136.918 231.7 125.608 193.945 -22.1917 PRESSAVG: 434400 13.2463 -5.10992 -40.1537 -5.10991 -17.7708 20.7348 -40.1537 20.7348 12.764 GPRESSAVG: 434400 12.5909 -4.46579 -41.3654 -6.33036 -17.0983 19.7776 -38.6789 20.0723 12.5223 TIMING: 434400 CPU: 1354.35, 0.00308774/step Wall: 1354.35, 0.00308774/step, 3.91594 hours remaining, 233.328125 MB of memory in use. ENERGY: 434400 3937.8029 20595.7447 14446.8018 253.9501 -203284.5878 2837.8188 0.0000 0.0000 51871.5982 -109340.8713 298.1068 -161212.4695 -108977.2225 298.5470 -58.0686 -28.2523 763986.1675 2.7465 2.6716 PRESSURE: 434600 -58.5384 5.1924 -333.993 5.19289 88.4162 -33.1094 -333.993 -33.1085 -20.5146 GPRESSURE: 434600 -42.4473 102.097 -256.717 49.3476 59.004 -12.6262 -343.756 -100.93 87.3553 PRESSAVG: 434600 52.6115 -40.8262 -53.4429 -40.8261 -9.579 -18.4041 -53.4428 -18.4041 -5.43796 GPRESSAVG: 434600 50.8452 -40.1608 -52.8503 -38.1285 -9.35736 -20.4324 -55.4153 -16.0354 -3.22964 TIMING: 434600 CPU: 1354.97, 0.00307951/step Wall: 1354.97, 0.00307951/step, 3.90533 hours remaining, 233.328125 MB of memory in use. ENERGY: 434600 3944.3536 20421.1866 14481.5535 255.5228 -203295.8294 2994.2402 0.0000 0.0000 52000.2502 -109198.7225 298.8462 -161198.9727 -108836.4191 298.3247 3.1211 34.6373 765301.2428 12.5315 12.7527 PRESSURE: 434800 147.075 -19.904 -263.936 -19.9046 151.135 -25.1589 -263.936 -25.1585 -342.246 GPRESSURE: 434800 165.627 -33.9648 -238.809 -38.9745 151.76 -49.9316 -213.229 -135.584 -279.234 PRESSAVG: 434800 -25.44 -11.4404 -42.137 -11.4404 -8.39172 -22.261 -42.137 -22.261 -17.0173 GPRESSAVG: 434800 -24.4216 -9.30751 -40.5068 -12.4169 -9.03128 -21.9931 -41.7616 -23.1595 -17.8077 TIMING: 434800 CPU: 1355.59, 0.00310406/step Wall: 1355.59, 0.00310406/step, 3.93629 hours remaining, 233.328125 MB of memory in use. ENERGY: 434800 3989.7827 20523.2595 14417.2876 269.6474 -202869.9061 2796.1400 0.0000 0.0000 51675.9507 -109197.8381 296.9824 -160873.7889 -108833.8791 298.1368 -14.6788 12.7177 765877.6080 -16.9497 -17.0869 PRESSURE: 435000 -383.463 79.3896 39.3733 79.3905 36.2267 -52.8248 39.3727 -52.8234 145.934 GPRESSURE: 435000 -286.383 87.4156 113.006 217.393 12.2855 -47.6175 -46.7298 -132.176 164.292 PRESSAVG: 435000 -25.1433 -29.3917 -25.6627 -29.3918 61.9392 -21.8769 -25.6627 -21.8769 33.0604 GPRESSAVG: 435000 -23.6861 -30.0167 -28.316 -29.0684 61.0222 -21.3527 -25.9129 -22.8836 32.7565 TIMING: 435000 CPU: 1356.21, 0.00310974/step Wall: 1356.21, 0.00310974/step, 3.94332 hours remaining, 233.328125 MB of memory in use. ENERGY: 435000 3927.2114 20447.0714 14482.5614 241.8397 -203273.6406 2805.3121 0.0000 0.0000 52154.3909 -109215.2539 299.7320 -161369.6447 -108844.2572 298.9512 -67.1006 -36.6020 764224.1382 23.2854 23.3642 PRESSURE: 435200 43.4494 47.4135 -180.002 47.4138 -187.9 37.9904 -180.003 37.9899 -180.554 GPRESSURE: 435200 90.8943 -5.3653 -138.519 21.5621 -61.7329 -46.2319 -228.719 12.1047 -285.009 PRESSAVG: 435200 -12.4331 -11.7858 -9.72684 -11.7858 -32.4101 -19.1906 -9.72681 -19.1907 0.848157 GPRESSAVG: 435200 -13.269 -12.6128 -7.29533 -13.2087 -30.2018 -18.9932 -9.97362 -19.3501 -0.198256 TIMING: 435200 CPU: 1356.83, 0.00310954/step Wall: 1356.83, 0.00310954/step, 3.94289 hours remaining, 233.328125 MB of memory in use. ENERGY: 435200 3989.1311 20458.5161 14415.7974 254.9864 -203023.2022 2835.2363 0.0000 0.0000 51757.1134 -109312.4216 297.4488 -161069.5350 -108955.0942 298.3781 -108.3348 -85.2827 764537.4124 -14.6650 -14.5564 PRESSURE: 435400 -223.16 -155.294 59.2295 -155.294 -218.077 -65.0743 59.2292 -65.0736 -157.401 GPRESSURE: 435400 -196.186 -133.883 29.6085 0.181742 -163.606 41.7252 42.5362 -40.6276 -167.048 PRESSAVG: 435400 -18.1041 -21.1952 15.4163 -21.1951 22.3589 33.928 15.4163 33.928 30.4043 GPRESSAVG: 435400 -17.8208 -23.4034 15.0184 -17.9904 20.875 33.7876 14.7626 33.3909 31.4754 TIMING: 435400 CPU: 1357.45, 0.00309442/step Wall: 1357.45, 0.00309442/step, 3.92355 hours remaining, 233.328125 MB of memory in use. ENERGY: 435400 3992.8349 20550.3935 14385.6852 264.6892 -202782.0158 2688.5463 0.0000 0.0000 51615.8912 -109283.9754 296.6372 -160899.8666 -108931.4095 297.9119 -199.5457 -175.6133 764246.6374 11.5530 11.5099 PRESSURE: 435600 -74.1917 -168.842 114.425 -168.842 -36.6616 -20.2582 114.424 -20.2593 -283.345 GPRESSURE: 435600 -39.9401 -123.001 120.724 -185.498 36.3449 58.4668 138.534 -18.26 -320.733 PRESSAVG: 435600 -52.9024 -58.2226 13.3347 -58.2226 11.7035 6.36804 13.3347 6.36802 3.26408 GPRESSAVG: 435600 -53.5115 -55.7633 12.6599 -60.0747 13.1161 6.67077 15.2607 6.96419 2.38218 TIMING: 435600 CPU: 1358.07, 0.00309387/step Wall: 1358.07, 0.00309387/step, 3.92268 hours remaining, 233.328125 MB of memory in use. ENERGY: 435600 3959.5938 20451.7418 14436.7902 258.4192 -203252.0963 2875.2365 0.0000 0.0000 52009.4134 -109260.9014 298.8988 -161270.3148 -108903.1518 297.7389 -131.3993 -108.1095 765705.8823 -12.6449 -12.6711 PRESSURE: 435800 -217.077 47.2165 -224.025 47.2171 29.0704 -153.816 -224.025 -153.814 32.536 GPRESSURE: 435800 -214.724 -21.4382 -264.285 132.694 60.4852 -152.614 -252.066 -211.422 82.1694 PRESSAVG: 435800 6.10665 8.56852 13.2053 8.56855 38.5633 -76.5059 13.2053 -76.506 0.120848 GPRESSAVG: 435800 7.67372 7.22915 14.7 9.59536 37.4068 -77.2039 12.931 -74.094 0.30352 TIMING: 435800 CPU: 1358.69, 0.00309283/step Wall: 1358.69, 0.00309283/step, 3.92119 hours remaining, 233.328125 MB of memory in use. ENERGY: 435800 4008.0865 20332.7565 14378.0302 242.9681 -203248.0212 2945.7020 0.0000 0.0000 52096.7230 -109243.7549 299.4006 -161340.4779 -108890.5958 298.4357 -51.8236 -24.0230 764033.1045 14.9303 15.1280 PRESSURE: 436000 161.265 66.5628 29.4529 66.5628 -24.1315 -83.367 29.4542 -83.3673 102.879 GPRESSURE: 436000 144.022 200.706 62.0825 140.731 125.858 -78.5279 6.09227 9.93338 76.7762 PRESSAVG: 436000 2.10417 -5.07462 31.9555 -5.07466 7.20637 -20.2493 31.9555 -20.2493 2.73383 GPRESSAVG: 436000 0.715749 -2.12705 30.3624 -7.32326 8.41397 -20.2725 30.2113 -23.4418 2.92571 TIMING: 436000 CPU: 1359.31, 0.00311294/step Wall: 1359.31, 0.00311294/step, 3.94652 hours remaining, 233.328125 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: 436000 3943.3469 20492.5828 14472.8457 222.3608 -203059.1250 2763.1952 0.0000 0.0000 52043.3999 -109121.3937 299.0941 -161164.7936 -108762.8601 298.5875 80.0041 115.5519 763587.0571 4.0148 4.0185 PRESSURE: 436200 68.1877 -0.0160787 -60.0518 -0.0155855 42.2313 -258.231 -60.0514 -258.23 431.866 GPRESSURE: 436200 121.442 -54.0038 -51.5388 -18.0412 165.342 -255.603 -41.261 -102.213 347.798 PRESSAVG: 436200 -56.927 3.56238 6.01857 3.56236 76.596 -61.3365 6.01856 -61.3365 -5.81736 GPRESSAVG: 436200 -56.1966 4.43463 6.1365 4.21994 75.6726 -62.2285 7.41175 -58.5721 -5.92766 TIMING: 436200 CPU: 1359.93, 0.00310309/step Wall: 1359.93, 0.00310309/step, 3.93385 hours remaining, 233.328125 MB of memory in use. ENERGY: 436200 3984.8994 20445.2517 14466.9137 243.2824 -203273.0514 2914.8167 0.0000 0.0000 52097.5015 -109120.3860 299.4051 -161217.8874 -108759.6185 299.0998 180.7618 211.5277 763678.0301 4.6172 4.5161 LDB: ============= START OF LOAD BALANCING ============== 1372.41 LDB: ============== END OF LOAD BALANCING =============== 1372.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1372.41 LDB: ============= START OF LOAD BALANCING ============== 1372.72 LDB: Largest compute 7052 load 0.031907 is 16.4% of average load 0.194853 LDB: Average compute 0.004367 is 2.2% of average load 0.194853 LDB: TIME 1372.72 LOAD: AVG 0.194853 MAX 0.212409 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.871 MB LDB: TIME 1372.73 LOAD: AVG 0.194853 MAX 0.212409 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.871 MB LDB: TIME 1372.73 LOAD: AVG 0.194853 MAX 0.212409 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.871 MB LDB: ============== END OF LOAD BALANCING =============== 1372.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1372.73 PRESSURE: 436400 -20.385 -159.657 -157.755 -159.656 -134.779 -47.1503 -157.755 -47.1498 -272.196 GPRESSURE: 436400 54.3596 -155.487 -237.688 -259.302 -113.334 -124.276 -133.731 -43.3163 -286.048 PRESSAVG: 436400 19.6438 -45.1063 23.5054 -45.1064 -20.1263 -26.146 23.5054 -26.1461 13.4344 GPRESSAVG: 436400 19.9184 -47.7111 24.8426 -43.8567 -20.503 -24.614 22.863 -27.6625 13.4037 TIMING: 436400 CPU: 1360.57, 0.0031613/step Wall: 1360.57, 0.0031613/step, 4.00747 hours remaining, 235.636719 MB of memory in use. ENERGY: 436400 4005.9186 20638.8326 14462.2583 270.9489 -203174.0416 2726.5497 0.0000 0.0000 52065.9353 -109003.5983 299.2236 -161069.5336 -108643.7433 298.8543 -142.4534 -115.0074 764743.3358 4.3173 4.2731 PRESSURE: 436600 21.9436 -132.027 -99.801 -132.026 -215.857 72.5735 -99.8011 72.5739 -118.389 GPRESSURE: 436600 -10.3394 22.43 -121.461 -164.509 -101.66 110.67 -46.6027 1.97153 -129.558 PRESSAVG: 436600 -18.1366 -27.6109 -1.67886 -27.6109 3.94757 -28.7969 -1.67887 -28.7969 -20.2333 GPRESSAVG: 436600 -17.8543 -26.5176 -2.86332 -28.3261 3.99576 -28.5372 0.896012 -27.6474 -20.407 TIMING: 436600 CPU: 1361.19, 0.00311834/step Wall: 1361.19, 0.00311834/step, 3.95284 hours remaining, 235.703125 MB of memory in use. ENERGY: 436600 4043.6538 20535.0871 14447.3677 260.5624 -203132.5240 2872.4225 0.0000 0.0000 51924.3519 -109049.0786 298.4100 -160973.4305 -108682.3065 298.9222 -104.1010 -80.5190 764959.1623 -11.4741 -11.4219 PRESSURE: 436800 -108.39 -97.2854 -78.4581 -97.2869 -114.032 78.4533 -78.4584 78.4537 -288.791 GPRESSURE: 436800 -94.7043 -54.1865 -57.558 -112.563 -101.351 80.9481 27.0978 24.0081 -221.504 PRESSAVG: 436800 -26.7206 -33.3208 5.69401 -33.3208 -30.0042 24.1838 5.69405 24.1838 6.13036 GPRESSAVG: 436800 -26.648 -31.9112 5.89638 -32.8223 -31.4849 22.9133 5.09576 22.5889 7.53872 TIMING: 436800 CPU: 1361.81, 0.00310845/step Wall: 1361.81, 0.00310845/step, 3.94013 hours remaining, 235.703125 MB of memory in use. ENERGY: 436800 3995.4082 20608.7988 14432.2163 257.6975 -203000.4355 2836.3132 0.0000 0.0000 51973.3394 -108896.6623 298.6915 -160870.0016 -108544.9176 299.5874 -170.4044 -139.1864 764647.9887 -16.8648 -16.8647 PRESSURE: 437000 34.6073 -196.692 84.7275 -196.693 37.5885 -140.097 84.7267 -140.097 -26.7909 GPRESSURE: 437000 59.1274 -128.893 -54.0777 -203.824 84.7853 -155.989 146.66 -115.666 -21.447 PRESSAVG: 437000 -20.7767 -50.5798 -17.5051 -50.5798 -7.52671 2.52376 -17.5051 2.52374 8.36222 GPRESSAVG: 437000 -21.0316 -50.8378 -15.7204 -50.2803 -5.83144 4.12793 -18.8429 3.02643 7.06908 TIMING: 437000 CPU: 1362.43, 0.00310819/step Wall: 1362.43, 0.00310819/step, 3.93964 hours remaining, 235.703125 MB of memory in use. ENERGY: 437000 4054.8997 20478.6604 14478.3081 249.3287 -203368.9377 3087.7524 0.0000 0.0000 51925.6427 -109094.3458 298.4174 -161019.9885 -108728.4981 299.3273 15.1349 40.8219 765181.8155 -6.6471 -6.5980 PRESSURE: 437200 -564.772 -188.574 -57.9092 -188.573 209.662 32.4161 -57.9094 32.4156 59.7753 GPRESSURE: 437200 -474.995 -136.485 34.4795 -143.877 196.913 -0.369055 -85.8566 -18.3617 69.4541 PRESSAVG: 437200 -39.8517 -41.3423 34.0087 -41.3423 -5.99008 -61.0214 34.0086 -61.0214 13.3932 GPRESSAVG: 437200 -40.2271 -44.3511 31.3391 -40.2361 -5.39828 -62.8945 35.5581 -60.9142 13.3519 TIMING: 437200 CPU: 1363.05, 0.00310133/step Wall: 1363.05, 0.00310133/step, 3.93076 hours remaining, 235.703125 MB of memory in use. ENERGY: 437200 4046.4029 20657.9834 14477.9133 235.0819 -203158.9546 2939.8162 0.0000 0.0000 51750.8598 -109050.8971 297.4129 -160801.7569 -108697.7189 299.0465 -98.4446 -69.5427 764924.8882 -10.8162 -10.7578 PRESSURE: 437400 11.2048 -227.848 108.617 -227.847 -219.455 69.766 108.618 69.7663 -63.5667 GPRESSURE: 437400 -50.4 -250.093 105.171 -138.034 -34.0822 18.7207 24.2609 145.881 -94.2553 PRESSAVG: 437400 -8.20695 -24.9171 -16.75 -24.9171 21.3058 -25.2385 -16.7499 -25.2385 25.5732 GPRESSAVG: 437400 -8.59728 -21.6063 -14.7948 -27.8512 20.6916 -25.3141 -20.3299 -23.3853 26.3011 TIMING: 437400 CPU: 1363.68, 0.00311179/step Wall: 1363.68, 0.00311179/step, 3.94385 hours remaining, 235.703125 MB of memory in use. ENERGY: 437400 4059.9538 20555.5817 14488.6754 232.1701 -203499.6774 3102.1816 0.0000 0.0000 52056.3428 -109004.7719 299.1685 -161061.1147 -108642.0621 299.4084 -90.6057 -59.5791 762688.8451 12.8907 12.7985 PRESSURE: 437600 462.708 -54.5129 340.792 -54.5125 -379.288 8.22722 340.792 8.22766 55.6778 GPRESSURE: 437600 458.701 -56.4838 311.809 -46.9397 -221.732 5.19005 330.249 57.2384 -5.30805 PRESSAVG: 437600 -13.8516 -29.4258 -23.6865 -29.4258 4.87834 -5.59945 -23.6866 -5.5994 -6.18935 GPRESSAVG: 437600 -13.7377 -30.8524 -23.1787 -28.1653 5.05083 -4.77617 -21.0231 -5.22374 -6.15699 TIMING: 437600 CPU: 1364.29, 0.00308432/step Wall: 1364.29, 0.00308432/step, 3.90886 hours remaining, 235.703125 MB of memory in use. ENERGY: 437600 4007.1135 20600.8431 14434.8326 272.4708 -203139.8873 2915.8953 0.0000 0.0000 51953.5164 -108955.2156 298.5776 -160908.7320 -108589.0232 299.2975 46.3657 77.2203 763275.5005 -5.0542 -4.9480 PRESSURE: 437800 -290.903 -11.1828 86.5791 -11.1825 220.207 -26.524 86.5792 -26.5256 78.7837 GPRESSURE: 437800 -167.61 -105.09 80.1906 -85.3805 232.533 0.501414 63.5334 -94.7048 28.4182 PRESSAVG: 437800 21.1116 -3.32691 22.9648 -3.32686 -32.8919 -33.6784 22.9648 -33.6784 2.22717 GPRESSAVG: 437800 21.0302 -5.42018 22.075 -4.33064 -32.3065 -34.4792 22.0528 -34.6682 2.21243 TIMING: 437800 CPU: 1364.91, 0.00308219/step Wall: 1364.91, 0.00308219/step, 3.90599 hours remaining, 235.703125 MB of memory in use. ENERGY: 437800 3990.2155 20530.9185 14433.2524 246.7464 -203294.7214 3136.2607 0.0000 0.0000 51888.2863 -109069.0416 298.2027 -160957.3279 -108708.7999 299.2256 2.6961 31.1136 763839.1888 -3.1844 -3.0213 PRESSURE: 438000 -110.553 7.12658 -72.327 7.12688 -307.514 56.284 -72.3269 56.2835 -239.918 GPRESSURE: 438000 -56.1383 45.6464 -154.427 61.4731 -242.276 -1.47472 -62.7132 -136.458 -256.143 PRESSAVG: 438000 16.0043 -38.8283 -35.3955 -38.8283 27.3832 40.1495 -35.3955 40.1495 0.262866 GPRESSAVG: 438000 16.5682 -37.7315 -34.7596 -37.9737 26.2481 39.5476 -34.8886 37.3815 0.946879 TIMING: 438000 CPU: 1365.53, 0.00310199/step Wall: 1365.53, 0.00310199/step, 3.93092 hours remaining, 235.703125 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: 438000 4037.5288 20585.5045 14499.6340 248.2312 -203363.8948 2957.7246 0.0000 0.0000 51737.8001 -109297.4717 297.3378 -161035.2718 -108943.1560 298.5255 -219.3285 -184.8524 763330.1043 14.5501 14.5877 PRESSURE: 438200 58.5439 92.8866 -274.87 92.8869 -111.153 48.8029 -274.869 48.8031 -301.292 GPRESSURE: 438200 -2.84228 23.498 -326.133 10.3856 0.848083 -21.7811 -124.91 54.2918 -256.872 PRESSAVG: 438200 15.3834 3.47956 -12.0144 3.47961 11.9749 -46.3247 -12.0144 -46.3246 1.59997 GPRESSAVG: 438200 15.7497 4.41752 -11.7795 2.48942 12.3038 -46.0418 -11.892 -46.2474 1.15331 TIMING: 438200 CPU: 1366.15, 0.00308978/step Wall: 1366.15, 0.00308978/step, 3.91527 hours remaining, 235.703125 MB of memory in use. ENERGY: 438200 4014.7610 20421.7657 14446.6676 258.0901 -203653.5823 2993.6772 0.0000 0.0000 52140.4639 -109378.1568 299.6520 -161518.6207 -109007.1017 297.8830 -117.9670 -86.2886 764372.9156 9.6528 9.7356 PRESSURE: 438400 -39.1431 -72.9121 -132.842 -72.9114 -264.458 -207.525 -132.842 -207.525 -96.972 GPRESSURE: 438400 27.0608 -70.879 -225.943 -41.0207 -206.33 -247.048 -94.6421 -125.495 -139.231 PRESSAVG: 438400 5.79997 17.8865 -19.0361 17.8864 -46.0117 -12.5396 -19.0361 -12.5396 3.86385 GPRESSAVG: 438400 5.18361 19.9279 -19.4525 17.4993 -45.0884 -11.7314 -20.1824 -10.4886 3.73826 TIMING: 438400 CPU: 1366.76, 0.00307993/step Wall: 1366.76, 0.00307993/step, 3.90262 hours remaining, 235.703125 MB of memory in use. ENERGY: 438400 4004.8897 20587.9413 14475.1012 249.7406 -203584.1312 3002.2312 0.0000 0.0000 51917.7385 -109346.4888 298.3720 -161264.2274 -108985.2401 298.3034 -133.5245 -106.1667 764537.8789 -12.1160 -12.0555 PRESSURE: 438600 -260.252 118.292 -136.888 118.292 130.259 85.1227 -136.887 85.122 -139.038 GPRESSURE: 438600 -210.604 96.066 -66.0806 5.78919 85.585 -29.5937 -189.717 143.18 -91.6667 PRESSAVG: 438600 26.3229 -31.3446 1.75553 -31.3446 -0.659272 -73.9275 1.75551 -73.9275 4.36761 GPRESSAVG: 438600 26.5833 -33.6948 1.64117 -31.0029 -1.93459 -74.7388 3.01872 -73.7908 5.50775 TIMING: 438600 CPU: 1367.38, 0.00307938/step Wall: 1367.38, 0.00307938/step, 3.90174 hours remaining, 235.703125 MB of memory in use. ENERGY: 438600 4141.0081 20660.7140 14412.9903 250.8739 -203448.6155 3058.7930 0.0000 0.0000 51800.5545 -109123.6816 297.6985 -160924.2361 -108760.8635 298.5546 -89.6769 -72.2285 764365.7870 10.0104 10.0522 PRESSURE: 438800 182.924 -13.0124 -3.83064 -13.0123 -229.441 20.5531 -3.83142 20.5523 -113.372 GPRESSURE: 438800 206.414 -39.999 -68.3389 -65.0106 -159.304 -6.08898 51.9849 46.9201 -114.126 PRESSAVG: 438800 -4.77224 -37.6099 1.92516 -37.6099 -9.40885 8.50889 1.92514 8.50886 6.9654 GPRESSAVG: 438800 -4.72237 -38.8684 0.554723 -36.1807 -9.26354 9.04871 1.88486 8.81065 6.12817 TIMING: 438800 CPU: 1368, 0.00309274/step Wall: 1368, 0.00309274/step, 3.9185 hours remaining, 235.703125 MB of memory in use. ENERGY: 438800 4060.0626 20600.3213 14405.4909 247.6361 -203334.0476 2912.5481 0.0000 0.0000 51885.7480 -109222.2406 298.1881 -161107.9886 -108864.9166 298.8872 -53.2965 -22.3386 762942.3698 -2.4052 -2.6192 PRESSURE: 439000 -131.088 -245.665 195.797 -245.665 160.27 -18.3003 195.797 -18.3 5.14417 GPRESSURE: 439000 -133.068 -219.681 178.57 -238.939 260.273 -41.5918 194.69 -46.2629 -9.94772 PRESSAVG: 439000 24.1253 8.71143 48.6458 8.71143 -33.1918 -15.9079 48.6459 -15.9079 -0.536883 GPRESSAVG: 439000 23.5788 9.91687 49.8731 7.17806 -32.551 -16.3646 47.8582 -16.3234 -1.58558 TIMING: 439000 CPU: 1368.62, 0.0030926/step Wall: 1368.62, 0.0030926/step, 3.91816 hours remaining, 235.703125 MB of memory in use. ENERGY: 439000 4098.3210 20739.2665 14466.6385 243.3468 -203683.6178 3130.2003 0.0000 0.0000 51850.9998 -109154.8449 297.9884 -161005.8447 -108795.2297 298.9596 11.4419 39.0855 763724.2600 -3.2011 -3.5193 PRESSURE: 439200 126.255 61.5878 85.702 61.5878 70.6536 -64.4349 85.7017 -64.4346 -247.104 GPRESSURE: 439200 138.877 74.9354 157.743 41.2103 126.54 -103.777 58.7324 -108.702 -240.296 PRESSAVG: 439200 -23.3107 -20.5234 1.74754 -20.5234 26.8743 -33.2577 1.74754 -33.2577 0.240361 GPRESSAVG: 439200 -23.5536 -21.3399 2.01172 -20.2485 26.3626 -32.1797 1.89866 -36.7652 0.658553 TIMING: 439200 CPU: 1369.24, 0.00309723/step Wall: 1369.24, 0.00309723/step, 3.92384 hours remaining, 235.703125 MB of memory in use. ENERGY: 439200 3997.7611 20653.4421 14460.3192 243.8000 -203538.1923 3028.3440 0.0000 0.0000 52022.5880 -109131.9380 298.9745 -161154.5260 -108773.0403 298.7009 -16.7318 8.3735 763035.9103 1.2680 1.1558 PRESSURE: 439400 -353.395 86.5805 195.543 86.581 -550.815 15.376 195.542 15.3764 133.612 GPRESSURE: 439400 -240.461 290.332 124.79 24.7248 -600.559 5.26034 108.746 56.091 157.736 PRESSAVG: 439400 54.5515 20.8143 21.5585 20.8142 -38.1848 -15.8841 21.5585 -15.8841 15.7136 GPRESSAVG: 439400 54.4537 21.593 21.7549 22.0611 -37.9217 -15.5288 19.1532 -13.9878 15.9465 TIMING: 439400 CPU: 1369.86, 0.0030996/step Wall: 1369.86, 0.0030996/step, 3.92668 hours remaining, 235.703125 MB of memory in use. ENERGY: 439400 4011.1065 20620.0426 14474.0183 251.3741 -203143.5238 2736.8162 0.0000 0.0000 52140.0516 -108910.1144 299.6496 -161050.1660 -108557.0741 299.0768 -256.8659 -227.7613 765528.4003 10.6934 10.8262 PRESSURE: 439600 -139.337 -34.0005 96.2621 -34.0009 388.954 -29.1608 96.2621 -29.1609 -271.269 GPRESSURE: 439600 -25.4778 48.7598 198.222 -61.3038 282.012 -114.355 235.03 -18.5746 -202.493 PRESSAVG: 439600 -5.05965 -34.1072 70.6694 -34.1071 32.9064 -19.7711 70.6694 -19.7711 3.23449 GPRESSAVG: 439600 -5.62138 -33.6625 70.795 -34.002 33.4124 -20.8952 71.7117 -19.3758 2.81276 TIMING: 439600 CPU: 1370.47, 0.00309434/step Wall: 1370.47, 0.00309434/step, 3.91984 hours remaining, 235.703125 MB of memory in use. ENERGY: 439600 4065.5397 20490.2892 14480.8343 238.6248 -203337.9446 2815.0478 0.0000 0.0000 52082.4487 -109165.1600 299.3185 -161247.6087 -108799.8137 299.3529 -7.2172 18.0140 763524.8896 10.3604 10.2013 PRESSURE: 439800 240.602 -62.8764 -189.38 -62.8768 194.526 270.713 -189.38 270.712 143.465 GPRESSURE: 439800 175.831 3.21811 -117.894 -39.6029 244.809 233.846 -150.942 295.142 249.942 PRESSAVG: 439800 -46.7342 -12.9675 11.8473 -12.9675 49.2912 -21.0952 11.8472 -21.0952 -14.0023 GPRESSAVG: 439800 -45.3003 -14.0415 10.7227 -13.7663 48.7223 -21.2656 13.5372 -21.9074 -14.4811 TIMING: 439800 CPU: 1371.1, 0.00310381/step Wall: 1371.1, 0.00310381/step, 3.93167 hours remaining, 235.703125 MB of memory in use. ENERGY: 439800 3959.0685 20698.7239 14434.4577 267.8110 -203427.2594 3024.3934 0.0000 0.0000 52011.8574 -109030.9476 298.9129 -161042.8050 -108680.8521 298.6916 192.8642 223.5276 762937.9702 -3.8151 -3.6864 PRESSURE: 440000 -2.01052 -47.7942 -121.377 -47.7944 101.073 -78.5042 -121.376 -78.5051 60.2336 GPRESSURE: 440000 -3.91967 -64.0422 -70.9796 14.9257 68.7741 -171.374 -160.169 -0.199152 167.866 PRESSAVG: 440000 45.3636 -65.1883 -8.48569 -65.1884 -79.2949 -36.3668 -8.48565 -36.3668 15.7985 GPRESSAVG: 440000 44.9709 -66.0738 -8.38276 -63.5997 -80.1245 -36.4279 -8.76689 -33.2769 16.7852 TIMING: 440000 CPU: 1371.71, 0.00307488/step Wall: 1371.71, 0.00307488/step, 3.89485 hours remaining, 235.703125 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: 440000 4037.1869 20516.2870 14378.0631 251.9182 -203268.0732 2988.2959 0.0000 0.0000 51704.9328 -109391.3893 297.1490 -161096.3221 -109039.1250 298.6278 53.0987 77.5735 763203.7221 -6.0442 -6.1228 PRESSURE: 440200 -192.176 97.1376 75.0773 97.1379 -83.0207 -262.621 75.0764 -262.622 233.213 GPRESSURE: 440200 -212.751 199.419 136.353 -10.8702 -21.3693 -179.988 26.6906 -169.912 275.731 PRESSAVG: 440200 -26.8718 -47.9956 27.7643 -47.9956 25.672 -5.14201 27.7643 -5.14202 10.5352 GPRESSAVG: 440200 -25.4535 -47.3178 29.4264 -49.2042 25.0178 -5.42617 24.7767 -5.89996 10.1062 TIMING: 440200 CPU: 1372.33, 0.00309944/step Wall: 1372.33, 0.00309944/step, 3.92579 hours remaining, 235.703125 MB of memory in use. ENERGY: 440200 4044.7098 20528.0523 14358.8673 255.1065 -203353.9228 2969.2832 0.0000 0.0000 52020.1713 -109177.7324 298.9606 -161197.9037 -108828.3550 298.9283 -13.9948 13.8703 763018.1047 3.1118 3.2235 LDB: ============= START OF LOAD BALANCING ============== 1384.81 LDB: ============== END OF LOAD BALANCING =============== 1384.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1384.81 LDB: ============= START OF LOAD BALANCING ============== 1385.12 LDB: Largest compute 7010 load 0.031557 is 16.2% of average load 0.195013 LDB: Average compute 0.004369 is 2.2% of average load 0.195013 LDB: TIME 1385.12 LOAD: AVG 0.195013 MAX 0.214281 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.246 MB LDB: TIME 1385.12 LOAD: AVG 0.195013 MAX 0.214281 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.246 MB LDB: TIME 1385.12 LOAD: AVG 0.195013 MAX 0.214281 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.246 MB LDB: ============== END OF LOAD BALANCING =============== 1385.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1385.13 PRESSURE: 440400 -359.584 205.716 -243.483 205.717 -39.2767 118.437 -243.482 118.436 223.114 GPRESSURE: 440400 -269.061 133.844 -315.152 125.968 -1.31636 129.561 -252.332 184.212 185.489 PRESSAVG: 440400 -0.536869 35.8852 -34.7173 35.8852 22.2232 4.97712 -34.7173 4.97712 -3.16604 GPRESSAVG: 440400 -0.510511 36.3237 -36.1071 34.7553 23.293 5.02939 -33.3087 5.94956 -4.4666 TIMING: 440400 CPU: 1372.96, 0.00316861/step Wall: 1372.96, 0.00316861/step, 4.01322 hours remaining, 233.734375 MB of memory in use. ENERGY: 440400 4037.7244 20657.1616 14475.0420 274.0439 -203090.3856 2615.6246 0.0000 0.0000 51782.9407 -109247.8485 297.5973 -161030.7892 -108894.6311 298.1967 -58.5822 -28.2960 762115.0418 6.1734 6.1053 PRESSURE: 440600 17.8742 -63.0829 95.0595 -63.0831 71.2635 -11.3958 95.059 -11.3968 -31.6033 GPRESSURE: 440600 90.6973 -5.72561 94.194 -205.884 86.766 29.7261 -19.3061 19.7325 -33.9953 PRESSAVG: 440600 -5.84413 -61.5971 -36.3751 -61.5971 22.7356 22.1405 -36.3752 22.1405 29.8222 GPRESSAVG: 440600 -6.47393 -64.0587 -36.2944 -59.9663 23.2088 22.9786 -35.8237 19.145 30.2976 TIMING: 440600 CPU: 1373.58, 0.00309216/step Wall: 1373.58, 0.00309216/step, 3.91622 hours remaining, 233.734375 MB of memory in use. ENERGY: 440600 4000.6481 20519.1103 14424.9134 249.2613 -203385.8609 3101.2854 0.0000 0.0000 51887.8936 -109202.7488 298.2004 -161090.6424 -108843.9211 298.8170 19.1782 47.8227 763032.5312 15.5712 15.6775 PRESSURE: 440800 -184.188 -303.51 31.7419 -303.51 -52.3459 66.9239 31.7418 66.9241 -15.535 GPRESSURE: 440800 -160.217 -286.413 -10.1298 -316.448 -5.16485 131.506 7.22943 181.216 -14.7048 PRESSAVG: 440800 1.85862 10.7887 -42.2348 10.7887 4.94767 28.5628 -42.2348 28.5628 -4.71976 GPRESSAVG: 440800 1.40097 12.6316 -40.5882 12.1194 5.02857 29.1547 -43.4445 29.684 -4.07608 TIMING: 440800 CPU: 1374.2, 0.00309831/step Wall: 1374.2, 0.00309831/step, 3.92384 hours remaining, 233.734375 MB of memory in use. ENERGY: 440800 4029.9178 20451.6739 14455.8279 227.2851 -203079.1648 2757.7610 0.0000 0.0000 51910.7574 -109245.9416 298.3318 -161156.6990 -108889.0398 298.5458 -84.0229 -60.0289 763279.8391 0.6955 0.7845 PRESSURE: 441000 -100.027 15.0304 236.588 15.0294 -40.5368 97.4814 236.588 97.482 -404.724 GPRESSURE: 441000 -86.3017 -90.4074 179.628 53.2884 31.0221 163.92 211.886 60.9444 -411.608 PRESSAVG: 441000 -1.48451 -17.542 -11.2981 -17.542 10.6933 1.30545 -11.2981 1.30546 9.12794 GPRESSAVG: 441000 -1.06996 -17.8691 -12.8425 -18.1222 10.0839 0.825738 -10.3906 0.423129 9.72768 TIMING: 441000 CPU: 1374.83, 0.0031299/step Wall: 1374.83, 0.0031299/step, 3.96367 hours remaining, 233.734375 MB of memory in use. ENERGY: 441000 4127.7699 20525.6614 14526.4475 262.0807 -203112.3860 2831.2010 0.0000 0.0000 51847.9096 -108991.3159 297.9706 -160839.2255 -108636.7286 298.8467 -181.7625 -155.6290 762901.9056 6.1122 6.2472 PRESSURE: 441200 66.1018 68.0589 97.3709 68.0594 -233.719 -237.403 97.371 -237.403 -320.269 GPRESSURE: 441200 68.6277 -2.64995 57.943 50.651 -212.313 -216.944 106.922 -115.167 -255.924 PRESSAVG: 441200 -13.46 3.10201 -5.85591 3.10197 -6.26371 -39.6415 -5.85587 -39.6415 19.9018 GPRESSAVG: 441200 -13.0938 2.32652 -5.65244 4.13533 -5.85947 -40.6465 -7.13578 -37.4365 19.4587 TIMING: 441200 CPU: 1375.45, 0.0031026/step Wall: 1375.45, 0.0031026/step, 3.92893 hours remaining, 233.734375 MB of memory in use. ENERGY: 441200 4016.1708 20493.9044 14532.7555 250.3653 -203195.0101 2738.6513 0.0000 0.0000 51997.3778 -109165.7848 298.8296 -161163.1627 -108804.2238 298.7733 -162.6287 -133.2030 763459.7104 0.0594 0.1685 PRESSURE: 441400 -135.412 -218.163 -109.419 -218.162 -359.762 222.41 -109.419 222.411 297.584 GPRESSURE: 441400 -80.995 -247.01 -205.93 -117.81 -291.698 188.22 -129.449 168.871 262.51 PRESSAVG: 441400 22.8899 -46.6175 -26.5713 -46.6175 -31.3362 -18.1329 -26.5713 -18.1329 -27.511 GPRESSAVG: 441400 22.2621 -46.5561 -27.5881 -47.1226 -30.2599 -17.0532 -24.7711 -19.349 -27.8441 TIMING: 441400 CPU: 1376.07, 0.00310664/step Wall: 1376.07, 0.00310664/step, 3.93387 hours remaining, 233.734375 MB of memory in use. ENERGY: 441400 4005.5466 20475.3673 14521.9940 232.5702 -202974.0671 2691.2201 0.0000 0.0000 52140.1572 -108907.2119 299.6502 -161047.3690 -108545.6254 298.8253 -65.8633 -36.7278 763515.9788 -11.9858 -11.9473 PRESSURE: 441600 -174.613 179.218 -200.893 179.218 73.4957 148.845 -200.892 148.846 -37.4505 GPRESSURE: 441600 -146.419 140.081 -100.003 173.514 106.6 158.398 -213.731 195.116 -30.6507 PRESSAVG: 441600 10.5852 -51.652 -61.9541 -51.652 -38.2458 5.88721 -61.9541 5.88716 12.3995 GPRESSAVG: 441600 10.0497 -50.1096 -60.6227 -53.1525 -38.6621 5.45807 -64.4137 7.71044 13.338 TIMING: 441600 CPU: 1376.69, 0.00309161/step Wall: 1376.69, 0.00309161/step, 3.91467 hours remaining, 233.734375 MB of memory in use. ENERGY: 441600 3993.0813 20552.0441 14428.1985 239.9205 -203407.3882 3028.1092 0.0000 0.0000 52123.5098 -109042.5247 299.5545 -161166.0345 -108677.9651 299.2307 -46.1891 -23.4896 764541.0260 -5.0870 -5.0915 PRESSURE: 441800 383.467 145.229 -48.4996 145.229 -175.519 112.827 -48.5003 112.827 314.002 GPRESSURE: 441800 438.058 90.1344 -34.1526 236.92 -50.5573 90.4052 -90.9116 107.22 234.589 PRESSAVG: 441800 -43.8135 -5.25789 -43.1769 -5.25787 25.8978 -21.3135 -43.1768 -21.3135 -22.4669 GPRESSAVG: 441800 -43.0751 -7.6808 -44.2898 -4.37575 25.7756 -22.5605 -41.0195 -22.576 -23.3855 TIMING: 441800 CPU: 1377.31, 0.00309048/step Wall: 1377.31, 0.00309048/step, 3.91306 hours remaining, 233.734375 MB of memory in use. ENERGY: 441800 3946.9737 20451.1521 14496.5584 237.4579 -203381.4078 3279.1712 0.0000 0.0000 51996.6011 -108973.4934 298.8252 -160970.0945 -108606.4906 299.0780 173.9833 207.3633 765469.4855 -13.4609 -13.5617 PRESSURE: 442000 83.6979 16.2206 -157.351 16.2206 9.91171 -25.7888 -157.351 -25.7883 322.9 GPRESSURE: 442000 -11.7993 22.3521 -169.344 -25.1812 139.19 28.2144 -153.64 36.0239 375.204 PRESSAVG: 442000 -118.446 24.9767 -70.7752 24.9767 50.679 -8.9664 -70.7751 -8.96636 7.73311 GPRESSAVG: 442000 -119.53 25.4753 -69.8364 25.6185 49.823 -7.74165 -71.7767 -9.1395 9.30926 TIMING: 442000 CPU: 1377.93, 0.00309981/step Wall: 1377.93, 0.00309981/step, 3.9247 hours remaining, 233.734375 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: 442000 3997.2806 20571.4208 14436.9184 255.4096 -203592.7035 3342.7316 0.0000 0.0000 51827.5352 -109161.4073 297.8536 -160988.9425 -108790.1880 299.0524 138.8365 167.5316 764500.2364 -20.0113 -20.1325 PRESSURE: 442200 9.06701 20.5247 -11.5664 20.5243 -159.735 101.702 -11.5662 101.701 200.147 GPRESSURE: 442200 -16.5807 143.108 144.113 35.2247 -80.7654 17.7437 -121.385 91.5829 240.536 PRESSAVG: 442200 -13.9917 -25.043 -29.8435 -25.043 13.0741 53.3172 -29.8435 53.3173 -14.2838 GPRESSAVG: 442200 -14.2974 -24.4415 -28.6387 -24.672 14.4536 52.763 -30.6322 51.9569 -15.8118 TIMING: 442200 CPU: 1378.55, 0.00310563/step Wall: 1378.55, 0.00310563/step, 3.9319 hours remaining, 233.734375 MB of memory in use. ENERGY: 442200 3971.1130 20550.0849 14527.6605 266.4346 -202921.3334 2566.6479 0.0000 0.0000 51865.0220 -109174.3706 298.0690 -161039.3926 -108822.0321 298.2790 16.4928 47.7299 765017.0967 -5.0671 -5.2185 PRESSURE: 442400 -198.955 89.3789 123.105 89.379 -205.585 -240.292 123.106 -240.293 -110.833 GPRESSURE: 442400 -170.404 38.5042 1.96016 139.293 -183.916 -215.296 137.652 -111.58 -62.8774 PRESSAVG: 442400 -10.0465 -22.4378 -49.0332 -22.4379 -5.23704 50.5486 -49.0332 50.5485 1.93652 GPRESSAVG: 442400 -8.52803 -22.7707 -52.0463 -24.1722 -6.53689 50.2941 -47.3442 51.8682 1.69844 TIMING: 442400 CPU: 1379.17, 0.003114/step Wall: 1379.17, 0.003114/step, 3.94232 hours remaining, 233.734375 MB of memory in use. ENERGY: 442400 4016.0307 20329.4731 14444.9599 245.7288 -203198.3829 2897.8195 0.0000 0.0000 52081.1650 -109183.2058 299.3112 -161264.3708 -108814.2093 299.0155 -171.7909 -139.0658 765802.5973 -4.4490 -4.4555 PRESSURE: 442600 -47.8103 -125.547 -284.335 -125.547 -325.239 -180.931 -284.335 -180.931 -318.787 GPRESSURE: 442600 -4.66691 -28.8827 -311.889 -132.089 -205.655 -201.07 -205.349 -120.742 -387.167 PRESSAVG: 442600 -31.899 -49.1723 -57.2298 -49.1723 -16.2273 -15.1501 -57.2297 -15.15 0.806689 GPRESSAVG: 442600 -32.956 -49.0681 -57.083 -48.1781 -15.6687 -15.3346 -56.7667 -14.2927 1.89798 TIMING: 442600 CPU: 1379.79, 0.00310224/step Wall: 1379.79, 0.00310224/step, 3.92726 hours remaining, 233.734375 MB of memory in use. ENERGY: 442600 3862.9330 20617.9799 14431.1811 238.2848 -202898.0990 2604.7109 0.0000 0.0000 52045.0733 -109097.9359 299.1038 -161143.0092 -108731.1883 298.9564 -230.6122 -199.1629 763924.9954 -15.7732 -15.5756 PRESSURE: 442800 101.616 50.0162 -95.8031 50.0157 -146.417 -61.3403 -95.8033 -61.3409 60.6901 GPRESSURE: 442800 101.005 7.91091 5.52344 58.0589 -59.7642 10.8507 -278.434 -139.131 70.3145 PRESSAVG: 442800 24.1297 -6.44409 34.4989 -6.44412 -61.0112 32.5944 34.4989 32.5945 -9.13825 GPRESSAVG: 442800 25.2156 -6.89836 35.4023 -7.99818 -60.9673 32.6984 34.4828 31.3719 -10.3383 TIMING: 442800 CPU: 1380.41, 0.00311981/step Wall: 1380.41, 0.00311981/step, 3.94933 hours remaining, 233.734375 MB of memory in use. ENERGY: 442800 4003.3316 20378.2364 14445.4137 250.3570 -203277.1317 3070.4805 0.0000 0.0000 52011.2362 -109118.0764 298.9093 -161129.3126 -108761.7025 299.0278 5.2965 37.1852 763903.2548 -15.3399 -15.3633 PRESSURE: 443000 -159.714 4.86784 -232.087 4.86644 -48.2982 219.619 -232.087 219.62 -292.967 GPRESSURE: 443000 -126.292 -62.9809 -212.029 -45.2228 -59.3195 84.8376 -21.8108 193.343 -214.939 PRESSAVG: 443000 -22.0515 -23.638 1.58956 -23.638 11.4088 26.4761 1.58962 26.476 7.63062 GPRESSAVG: 443000 -21.899 -23.3711 0.961606 -22.4088 10.8336 28.2412 0.430155 24.4271 7.96552 TIMING: 443000 CPU: 1381.04, 0.00311257/step Wall: 1381.04, 0.00311257/step, 3.94 hours remaining, 233.734375 MB of memory in use. ENERGY: 443000 4023.7182 20413.4118 14419.9516 236.1463 -202729.7977 2749.5145 0.0000 0.0000 51730.3407 -109156.7144 297.2950 -160887.0552 -108785.6838 298.5188 -166.9932 -133.5170 766605.8519 -1.0040 -1.0333 PRESSURE: 443200 -115.009 -295.949 21.0336 -295.95 -49.3305 122.811 21.0339 122.811 -340.884 GPRESSURE: 443200 -54.9908 -206.392 -25.8504 -276.851 -85.2827 133.441 116.379 279.783 -299.048 PRESSAVG: 443200 -1.66566 -59.1544 29.7579 -59.1545 1.22079 16.0853 29.7579 16.0852 -8.50313 GPRESSAVG: 443200 -2.23622 -58.5106 30.1719 -61.7027 1.20987 15.701 30.1595 18.0931 -8.54306 TIMING: 443200 CPU: 1381.66, 0.00310013/step Wall: 1381.66, 0.00310013/step, 3.92408 hours remaining, 233.734375 MB of memory in use. ENERGY: 443200 3934.9806 20493.5845 14442.3618 240.4514 -202805.0444 2689.0734 0.0000 0.0000 51701.4705 -109303.1221 297.1291 -161004.5927 -108946.3740 298.2241 -168.4077 -146.4406 765698.4566 -2.9827 -3.1898 PRESSURE: 443400 19.3712 110.645 -31.5716 110.645 -36.9941 277.241 -31.571 277.241 -226.82 GPRESSURE: 443400 -8.98046 46.3085 -84.9677 65.6037 14.7928 264.488 -141.286 337.421 -168.267 PRESSAVG: 443400 -7.65156 -4.67519 -3.21172 -4.67514 -5.58543 98.1169 -3.21172 98.1169 9.63618 GPRESSAVG: 443400 -7.87508 -6.27482 -2.5968 -3.80811 -6.9048 98.8242 -2.85198 97.8938 11.2014 TIMING: 443400 CPU: 1382.28, 0.00310255/step Wall: 1382.28, 0.00310255/step, 3.92696 hours remaining, 233.734375 MB of memory in use. ENERGY: 443400 4021.8688 20466.1940 14371.7666 241.4797 -203372.5094 3070.0579 0.0000 0.0000 52120.2646 -109080.8779 299.5359 -161201.1424 -108721.2430 298.2132 -81.4810 -54.1514 764586.5433 -1.2003 -1.1928 PRESSURE: 443600 -30.1265 18.0933 75.4832 18.0936 300.318 168.975 75.4831 168.975 0.916795 GPRESSURE: 443600 -4.91804 28.0967 177.584 -5.25312 266.24 165.195 71.1573 153.806 92.3619 PRESSAVG: 443600 -58.6241 12.254 -7.80588 12.254 55.8826 26.7795 -7.80592 26.7795 -2.88269 GPRESSAVG: 443600 -60.386 15.1014 -8.97496 11.9846 57.6429 25.5993 -8.47862 25.1065 -3.53566 TIMING: 443600 CPU: 1382.9, 0.00309602/step Wall: 1382.9, 0.00309602/step, 3.91852 hours remaining, 233.734375 MB of memory in use. ENERGY: 443600 3967.1489 20524.2512 14415.2168 236.0782 -203411.7063 3306.5003 0.0000 0.0000 51935.9496 -109026.5614 298.4766 -160962.5110 -108671.3890 298.5579 90.3695 117.8945 764467.1408 -1.8748 -2.0929 PRESSURE: 443800 429.235 41.2622 -142.998 41.2628 67.5036 143.744 -142.998 143.743 157.01 GPRESSURE: 443800 448.758 101.561 -93.7732 163.62 118.197 8.88851 -206.862 221.808 168.258 PRESSAVG: 443800 10.3555 -12.7901 -41.7539 -12.7901 33.4112 -12.6382 -41.7539 -12.6383 -1.14098 GPRESSAVG: 443800 10.5693 -13.7537 -42.4651 -12.8122 32.0913 -13.076 -42.162 -10.8234 -0.725206 TIMING: 443800 CPU: 1383.52, 0.00309785/step Wall: 1383.52, 0.00309785/step, 3.92068 hours remaining, 233.734375 MB of memory in use. ENERGY: 443800 4072.6104 20475.0456 14298.9826 255.3742 -202929.3702 3041.6269 0.0000 0.0000 51812.5930 -108973.1375 297.7677 -160785.7304 -108614.8348 298.4344 217.9164 245.0707 763387.8522 14.2085 13.9785 PRESSURE: 444000 293.476 -25.1004 -269.344 -25.1018 -101.091 61.1154 -269.343 61.1169 188.931 GPRESSURE: 444000 256.114 -100.929 -187.285 -108.354 -38.8107 88.5699 -259.404 65.673 235.458 PRESSAVG: 444000 35.2073 -43.7257 -58.432 -43.7258 -18.7229 22.099 -58.4319 22.099 19.769 GPRESSAVG: 444000 36.3297 -44.5714 -55.6899 -43.1724 -18.9448 22.0693 -56.9652 23.0583 19.8439 TIMING: 444000 CPU: 1384.14, 0.00311456/step Wall: 1384.14, 0.00311456/step, 3.94165 hours remaining, 233.734375 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: 444000 3937.6302 20463.7049 14405.9273 250.4767 -202868.6936 2864.9979 0.0000 0.0000 52138.4437 -108807.5130 299.6404 -160945.9566 -108446.1968 298.5901 127.1053 150.9204 764227.7485 12.0845 12.4096 PRESSURE: 444200 -67.3699 56.2349 -125.186 56.2344 20.6405 17.3742 -125.187 17.3754 -49.8544 GPRESSURE: 444200 0.160328 51.5614 -145.813 18.4992 40.7109 -8.36606 -47.2155 -53.1611 -49.7428 PRESSAVG: 444200 -28.5031 -39.8684 -25.0535 -39.8684 31.9608 11.6927 -25.0536 11.6928 -14.5411 GPRESSAVG: 444200 -29.0004 -36.912 -27.5386 -40.7397 32.585 10.6219 -24.9 9.47986 -14.9767 TIMING: 444200 CPU: 1384.76, 0.00311502/step Wall: 1384.76, 0.00311502/step, 3.94206 hours remaining, 233.734375 MB of memory in use. ENERGY: 444200 4050.6181 20464.1483 14460.8641 244.2263 -202937.3494 2948.2881 0.0000 0.0000 52038.9699 -108730.2346 299.0687 -160769.2045 -108365.1275 298.7165 -32.1946 -2.9572 764005.0027 -3.6945 -3.7974 LDB: ============= START OF LOAD BALANCING ============== 1397.24 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1397.24 LDB: =============== DONE WITH MIGRATION ================ 1397.24 LDB: ============= START OF LOAD BALANCING ============== 1397.55 LDB: Largest compute 7010 load 0.031659 is 16.2% of average load 0.194873 LDB: Average compute 0.004389 is 2.3% of average load 0.194873 LDB: TIME 1397.56 LOAD: AVG 0.194873 MAX 0.215973 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.734 MB LDB: TIME 1397.56 LOAD: AVG 0.194873 MAX 0.215973 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.734 MB LDB: TIME 1397.56 LOAD: AVG 0.194873 MAX 0.215973 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.734 MB LDB: ============== END OF LOAD BALANCING =============== 1397.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1397.57 PRESSURE: 444400 560.396 88.1699 -6.49918 88.1694 67.1769 100.443 -6.49885 100.441 326.558 GPRESSURE: 444400 495.936 69.1309 -75.3779 134.599 122.744 70.1515 -43.3881 216.421 395.378 PRESSAVG: 444400 -16.5437 -19.9036 1.3367 -19.9036 10.102 38.3818 1.33675 38.3817 10.6703 GPRESSAVG: 444400 -16.9866 -21.1815 1.84127 -20.2854 10.4953 41.3 1.02437 37.6999 10.2948 TIMING: 444400 CPU: 1385.4, 0.00318749/step Wall: 1385.4, 0.00318749/step, 4.03359 hours remaining, 235.527344 MB of memory in use. ENERGY: 444400 3935.9397 20666.2884 14451.1267 250.7767 -202749.1381 2706.7979 0.0000 0.0000 51885.0344 -108853.1744 298.1840 -160738.2087 -108500.2871 298.8750 318.0438 338.0192 764019.1060 1.4095 1.2678 PRESSURE: 444600 -105.412 38.3919 -332.868 38.3917 27.6075 127.068 -332.868 127.068 55.8515 GPRESSURE: 444600 -61.4467 -99.9163 -327.608 74.7611 33.6632 100.357 -191.718 21.8276 80.0868 PRESSAVG: 444600 1.38015 -35.3723 -8.19287 -35.3723 6.82422 44.6283 -8.19291 44.6284 3.5694 GPRESSAVG: 444600 0.910051 -36.6151 -6.85774 -33.2347 7.40968 42.6956 -10.8964 46.9879 3.58297 TIMING: 444600 CPU: 1386.03, 0.0031405/step Wall: 1386.03, 0.0031405/step, 3.97395 hours remaining, 235.527344 MB of memory in use. ENERGY: 444600 3952.5241 20485.3334 14435.8604 247.5043 -202827.1171 2697.5702 0.0000 0.0000 51936.5915 -109071.7331 298.4803 -161008.3247 -108711.8904 299.0064 -7.3176 17.4344 764498.5400 3.9246 3.9676 PRESSURE: 444800 103.623 39.4639 -98.0282 39.4639 -36.5733 45.3701 -98.028 45.3699 -98.0028 GPRESSURE: 444800 151.175 -10.9659 -33.23 -25.8105 146.047 16.2984 -74.3484 -42.317 -237.256 PRESSAVG: 444800 -22.7711 -1.29174 -61.8655 -1.29173 -2.70963 19.8951 -61.8655 19.8952 -7.1796 GPRESSAVG: 444800 -22.6934 -1.8389 -63.4806 -3.99693 -2.68991 20.8888 -60.9948 18.0643 -6.88476 TIMING: 444800 CPU: 1386.65, 0.00312487/step Wall: 1386.65, 0.00312487/step, 3.954 hours remaining, 235.527344 MB of memory in use. ENERGY: 444800 3979.8001 20481.4144 14372.7583 248.3607 -203063.8066 2841.0766 0.0000 0.0000 52067.4394 -109072.9572 299.2323 -161140.3966 -108704.7616 298.8640 -10.3177 19.9885 765341.1207 -10.8868 -10.7560 PRESSURE: 445000 -102.149 119.29 82.0371 119.291 -59.3585 91.6762 82.0368 91.6773 -184.805 GPRESSURE: 445000 42.3566 91.6821 -20.1077 140.718 -99.4832 96.1006 168.191 79.7222 -194.897 PRESSAVG: 445000 -6.65559 -15.9653 -86.2738 -15.9653 15.7085 24.7775 -86.2738 24.7775 2.02348 GPRESSAVG: 445000 -6.21876 -15.3628 -86.2074 -13.545 13.7557 25.8106 -86.1056 25.6432 3.28979 TIMING: 445000 CPU: 1387.27, 0.00310657/step Wall: 1387.27, 0.00310657/step, 3.93068 hours remaining, 235.527344 MB of memory in use. ENERGY: 445000 3934.7402 20516.5546 14412.2607 252.5461 -203482.3960 3071.2078 0.0000 0.0000 51899.0344 -109396.0521 298.2645 -161295.0865 -109031.1344 298.5269 -115.4375 -84.0078 763641.1790 3.6921 3.6089 PRESSURE: 445200 162.107 -88.7913 -76.0654 -88.791 153.451 189.091 -76.065 189.091 411.879 GPRESSURE: 445200 158.218 -50.7715 -17.4072 44.3661 222.355 199.204 -121.95 99.7757 427.487 PRESSAVG: 445200 -5.45777 11.8764 -52.2889 11.8764 22.3107 -37.9648 -52.289 -37.9647 31.5254 GPRESSAVG: 445200 -4.72158 11.9115 -52.9407 12.5465 21.5954 -38.2923 -50.0818 -38.0267 31.1433 TIMING: 445200 CPU: 1387.89, 0.00308994/step Wall: 1387.89, 0.00308994/step, 3.90946 hours remaining, 235.527344 MB of memory in use. ENERGY: 445200 3959.7362 20382.6604 14410.4972 251.0549 -203540.7789 3083.1590 0.0000 0.0000 52241.0399 -109212.6313 300.2300 -161453.6713 -108853.4884 298.0009 242.4790 269.3532 762207.2714 16.1261 16.0057 PRESSURE: 445400 -40.2086 265.541 196.172 265.541 -325.955 14.9743 196.172 14.9749 265.336 GPRESSURE: 445400 0.731254 252.65 169.059 149.21 -248.772 45.0932 142.655 122.217 232.885 PRESSAVG: 445400 -48.5462 -22.4473 -40.433 -22.4473 34.9644 18.437 -40.4331 18.4371 -2.95649 GPRESSAVG: 445400 -49.9032 -21.4315 -40.4878 -26.256 36.953 18.5502 -41.5984 18.6715 -3.78214 TIMING: 445400 CPU: 1388.51, 0.00309278/step Wall: 1388.51, 0.00309278/step, 3.91288 hours remaining, 235.527344 MB of memory in use. ENERGY: 445400 3926.8208 20728.9297 14438.8182 254.9134 -203172.8960 2759.5766 0.0000 0.0000 51783.0601 -109280.7771 297.5980 -161063.8373 -108923.5367 298.9189 -33.6093 -5.0519 764383.8400 -5.5128 -5.5774 PRESSURE: 445600 -103.509 53.9875 -34.6715 53.9871 145.155 214.863 -34.671 214.862 170.674 GPRESSURE: 445600 -47.6146 -28.938 -24.8412 -39.5093 152.003 159.214 0.713617 243.795 191.581 PRESSAVG: 445600 5.83858 -13.9289 -5.45781 -13.9288 25.1496 -9.98096 -5.45778 -9.98103 -12.6575 GPRESSAVG: 445600 6.32864 -16.4649 -4.73044 -11.3482 24.2022 -11.5905 -5.06876 -8.59214 -12.6455 TIMING: 445600 CPU: 1389.13, 0.00310618/step Wall: 1389.13, 0.00310618/step, 3.92967 hours remaining, 235.527344 MB of memory in use. ENERGY: 445600 4020.4506 20418.5142 14485.1959 251.1740 -203460.8712 3059.1049 0.0000 0.0000 51870.2307 -109356.2010 298.0989 -161226.4316 -108993.6308 298.4760 70.7733 98.6566 763827.2600 6.1102 5.9618 PRESSURE: 445800 -56.5642 -35.6171 -158.772 -35.6186 -301.835 59.5292 -158.771 59.5283 -8.88373 GPRESSURE: 445800 -114.02 -76.8062 -261.983 -36.7453 -108.116 88.5429 -159.451 97.3374 -57.9504 PRESSAVG: 445800 -10.121 -8.49192 -36.8524 -8.49199 36.6757 -24.9029 -36.8525 -24.9029 -0.441462 GPRESSAVG: 445800 -11.4586 -11.623 -37.2871 -7.42866 37.1636 -23.7223 -36.5737 -26.9217 -0.0113371 TIMING: 445800 CPU: 1389.75, 0.00310755/step Wall: 1389.75, 0.00310755/step, 3.93122 hours remaining, 235.527344 MB of memory in use. ENERGY: 445800 3979.7039 20481.8812 14450.0910 249.6303 -203836.6138 3223.9776 0.0000 0.0000 51914.3777 -109536.9520 298.3526 -161451.3298 -109185.9610 298.4252 -122.4277 -93.3622 763327.9319 8.7044 8.5645 PRESSURE: 446000 145.366 -33.8153 79.2813 -33.8145 5.88773 -16.6732 79.2815 -16.6718 -263.263 GPRESSURE: 446000 136.122 -99.2497 88.313 -25.6176 33.925 -12.8575 128.496 5.82297 -178.418 PRESSAVG: 446000 18.6099 5.03346 -43.3628 5.03341 -39.5037 7.40681 -43.3628 7.40681 2.27234 GPRESSAVG: 446000 20.3482 8.63644 -42.8663 2.20113 -40.5294 7.56363 -44.6579 9.16266 1.78849 TIMING: 446000 CPU: 1390.38, 0.00313022/step Wall: 1390.38, 0.00313022/step, 3.95973 hours remaining, 235.527344 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: 446000 3928.5999 20564.4859 14505.9611 243.6421 -203001.8550 2740.2890 0.0000 0.0000 51674.0950 -109344.7820 296.9717 -161018.8770 -108986.0707 297.8396 -37.3362 -2.7902 766328.5750 -6.2072 -6.1309 PRESSURE: 446200 -14.874 -61.479 -138.313 -61.4788 53.4715 -207.205 -138.314 -207.207 458.016 GPRESSURE: 446200 -45.0577 -136.662 -98.196 -17.2295 109.627 -150.395 -5.66529 -99.3372 509.275 PRESSAVG: 446200 16.0143 12.0089 -12.5753 12.0089 -14.0061 -2.42209 -12.5753 -2.42211 19.416 GPRESSAVG: 446200 14.6174 12.9794 -11.8442 12.5559 -13.9341 -2.58935 -13.3605 -4.81404 20.4929 TIMING: 446200 CPU: 1391, 0.0031044/step Wall: 1391, 0.0031044/step, 3.9269 hours remaining, 235.527344 MB of memory in use. ENERGY: 446200 3986.3961 20590.1923 14418.8624 258.8508 -203762.4007 3192.6199 0.0000 0.0000 51971.3322 -109344.1469 298.6800 -161315.4791 -108983.0176 298.6264 165.5378 191.2814 762504.3742 7.1414 7.0587 PRESSURE: 446400 -292.381 35.1069 -130.765 35.1063 -114.762 364.656 -130.764 364.658 -42.6697 GPRESSURE: 446400 -217.851 35.7076 -246.149 -35.3105 -74.166 314.258 -105.53 416.725 -50.3053 PRESSAVG: 446400 -7.76296 3.84819 -47.2583 3.84816 63.3599 -24.0134 -47.2584 -24.0134 -3.95937 GPRESSAVG: 446400 -6.70085 2.45409 -47.1928 5.23606 63.9224 -24.3528 -45.3477 -22.0489 -6.0812 TIMING: 446400 CPU: 1391.62, 0.00309811/step Wall: 1391.62, 0.00309811/step, 3.91877 hours remaining, 235.527344 MB of memory in use. ENERGY: 446400 3910.2811 20685.2807 14480.1037 249.8091 -203478.3134 2878.2998 0.0000 0.0000 51869.5399 -109404.9991 298.0950 -161274.5391 -109047.2680 298.6527 -149.9374 -114.1075 763630.4590 17.2125 17.0468 PRESSURE: 446600 47.3734 22.2699 274.99 22.2693 -82.9189 101.201 274.99 101.2 234.98 GPRESSURE: 446600 79.6846 74.1062 404.323 54.3364 0.647113 104.983 70.901 -38.5119 204.178 PRESSAVG: 446600 33.7916 -51.8457 -47.3592 -51.8457 -36.6172 5.34982 -47.3592 5.34976 -1.40379 GPRESSAVG: 446600 34.5911 -51.74 -47.0314 -51.2119 -37.7672 4.84271 -49.8174 4.41328 -1.11371 TIMING: 446600 CPU: 1392.24, 0.00311806/step Wall: 1392.24, 0.00311806/step, 3.94383 hours remaining, 235.527344 MB of memory in use. ENERGY: 446600 3988.1291 20517.9087 14398.2818 250.2837 -203288.1894 2926.9373 0.0000 0.0000 51928.8793 -109277.7694 298.4360 -161206.6487 -108920.0818 298.3312 66.4781 94.8365 764052.3611 -1.4098 -1.4300 PRESSURE: 446800 -127.086 13.0101 -260.279 13.0094 57.2008 -32.7992 -260.278 -32.7994 226.098 GPRESSURE: 446800 -126.892 -44.5281 -223.603 -8.10797 114.043 29.042 -152.059 20.5531 245.405 PRESSAVG: 446800 -19.896 -2.49352 -6.62141 -2.49351 15.554 -10.713 -6.62136 -10.713 19.5481 GPRESSAVG: 446800 -20.6894 -3.55015 -8.16812 -3.76348 16.1786 -11.1111 -4.46015 -10.1567 20.1168 TIMING: 446800 CPU: 1392.87, 0.00310878/step Wall: 1392.87, 0.00310878/step, 3.93192 hours remaining, 235.527344 MB of memory in use. ENERGY: 446800 3992.6797 20637.1798 14483.3081 249.9012 -203495.4966 2821.0254 0.0000 0.0000 51963.5934 -109347.8090 298.6355 -161311.4024 -108990.7537 298.3100 52.0709 77.5187 764966.0456 5.0687 5.2020 PRESSURE: 447000 259.844 -132.767 59.5679 -132.768 -42.3779 -171.82 59.5678 -171.82 40.4003 GPRESSURE: 447000 312.707 -59.3097 191.51 -133.56 31.1621 -197.308 -0.700062 -117.979 -12.3253 PRESSAVG: 447000 -39.3392 -25.9171 -38.8267 -25.9171 61.0065 -75.6967 -38.8267 -75.6967 0.203578 GPRESSAVG: 447000 -38.9621 -21.8883 -37.0493 -26.5886 60.6417 -76.3838 -38.5182 -75.004 0.507068 TIMING: 447000 CPU: 1393.49, 0.00312673/step Wall: 1393.49, 0.00312673/step, 3.95444 hours remaining, 235.527344 MB of memory in use. ENERGY: 447000 4030.7073 20649.5762 14462.8653 236.8811 -203585.9118 3108.6322 0.0000 0.0000 51724.8974 -109372.3523 297.2637 -161097.2497 -109026.3712 298.7001 85.9555 110.5145 764003.1289 7.2903 7.3956 PRESSURE: 447200 15.6912 45.4576 11.216 45.4576 176.791 177.832 11.2158 177.831 474.43 GPRESSURE: 447200 70.2606 141.249 -67.291 17.4089 208.363 248.669 -102.476 147.838 477.654 PRESSAVG: 447200 -0.217122 -2.18696 -58.6409 -2.18691 11.1536 -72.716 -58.6409 -72.7159 -26.5395 GPRESSAVG: 447200 0.251724 -4.18707 -59.3391 -3.71268 11.1347 -72.4917 -59.6204 -75.1878 -26.6523 TIMING: 447200 CPU: 1394.12, 0.00312171/step Wall: 1394.12, 0.00312171/step, 3.94792 hours remaining, 235.527344 MB of memory in use. ENERGY: 447200 4019.3305 20680.0301 14380.5233 237.0927 -203863.9305 3140.4028 0.0000 0.0000 52144.2944 -109262.2566 299.6740 -161406.5511 -108902.5398 298.8273 222.3041 252.0927 762105.7332 -5.2010 -5.0886 PRESSURE: 447400 201.244 -75.552 -228.667 -75.5523 -102.882 -63.0238 -228.668 -63.0242 13.1023 GPRESSURE: 447400 70.2041 -87.6961 -307.097 -134.437 80.4536 -171.578 -4.12073 12.7964 20.9445 PRESSAVG: 447400 -44.6558 -52.1177 -45.8776 -52.1176 34.2787 -14.5798 -45.8777 -14.5798 9.17046 GPRESSAVG: 447400 -46.0047 -53.5871 -48.1242 -49.1957 35.7658 -13.3369 -44.2953 -11.8239 9.21146 TIMING: 447400 CPU: 1394.74, 0.00311029/step Wall: 1394.74, 0.00311029/step, 3.93331 hours remaining, 235.527344 MB of memory in use. ENERGY: 447400 4066.3611 20493.7449 14462.2729 247.8880 -203883.4210 3218.8616 0.0000 0.0000 52183.5926 -109210.7000 299.8998 -161394.2925 -108840.9919 298.8514 37.1548 57.2007 763280.0599 -0.4022 -0.3425 PRESSURE: 447600 -470.36 155.967 -219.491 155.967 4.80801 97.7872 -219.491 97.7876 -381.76 GPRESSURE: 447600 -317.69 32.6384 -165.767 85.9038 7.72357 29.2091 -161.907 92.697 -433.522 PRESSAVG: 447600 21.5386 -2.79266 -17.6222 -2.79268 49.953 17.2875 -17.6222 17.2876 13.7938 GPRESSAVG: 447600 23.5193 -4.49983 -15.7301 -2.37052 49.0437 14.2649 -16.0898 16.9106 13.4553 TIMING: 447600 CPU: 1395.36, 0.0031/step Wall: 1395.36, 0.0031/step, 3.92013 hours remaining, 235.527344 MB of memory in use. ENERGY: 447600 3982.9676 20668.6073 14486.3505 250.8310 -203072.1508 2804.2948 0.0000 0.0000 51781.1670 -109097.9325 297.5871 -160879.0995 -108736.3254 299.0858 -282.4373 -247.8294 764196.4225 28.4285 28.6728 PRESSURE: 447800 -129.154 -28.7411 -143.639 -28.7401 27.1858 24.4265 -143.64 24.427 -205.775 GPRESSURE: 447800 -75.9025 -66.3467 -171.61 -23.6519 66.3273 19.3978 -213.93 33.4334 -222.658 PRESSAVG: 447800 -31.0054 -13.8859 -56.9224 -13.8858 -2.08036 24.3232 -56.9223 24.3233 1.22221 GPRESSAVG: 447800 -31.4108 -11.3686 -59.0789 -14.6381 -1.57397 27.0367 -58.0893 21.8836 1.10772 TIMING: 447800 CPU: 1395.98, 0.00309048/step Wall: 1395.98, 0.00309048/step, 3.90792 hours remaining, 235.527344 MB of memory in use. ENERGY: 447800 4011.4936 20395.0599 14494.3782 261.8251 -202959.7368 2394.4875 0.0000 0.0000 52245.2150 -109157.2776 300.2540 -161402.4926 -108795.4438 299.2057 -102.5810 -77.4112 762005.9641 -10.6212 -10.6257 PRESSURE: 448000 -552.654 -76.6786 71.4784 -76.6789 -423.052 22.7281 71.4789 22.7294 -94.6535 GPRESSURE: 448000 -494.352 25.9204 10.5334 114.279 -405.021 30.4163 13.4506 -78.2035 -77.6268 PRESSAVG: 448000 -74.3406 -24.0731 1.03182 -24.0731 75.4154 0.371437 1.03183 0.3715 -13.4093 GPRESSAVG: 448000 -73.4482 -24.512 2.91608 -23.2081 74.4788 1.81858 -0.447401 0.0314313 -12.8629 TIMING: 448000 CPU: 1396.59, 0.00309513/step Wall: 1396.59, 0.00309513/step, 3.91362 hours remaining, 235.527344 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: 448000 4068.2611 20459.2325 14412.1451 246.8974 -202570.2882 2408.1029 0.0000 0.0000 52075.7216 -108899.9276 299.2799 -160975.6492 -108528.6903 299.4937 -356.7864 -325.6666 763592.0650 -4.1115 -3.9441 PRESSURE: 448200 -307.062 -49.8291 20.7263 -49.83 95.2776 -175.432 20.7264 -175.431 49.5989 GPRESSURE: 448200 -286.168 14.9958 -7.45719 -35.7169 94.2056 -120.593 1.26652 -151.721 111.367 PRESSAVG: 448200 -50.2142 49.8795 -27.5779 49.8794 48.2453 9.94795 -27.5779 9.9479 -13.3794 GPRESSAVG: 448200 -50.8992 51.0806 -28.7022 47.2803 48.2548 8.68157 -26.7642 11.7236 -12.8793 TIMING: 448200 CPU: 1397.22, 0.00311112/step Wall: 1397.22, 0.00311112/step, 3.93367 hours remaining, 235.527344 MB of memory in use. ENERGY: 448200 3975.1643 20411.5937 14530.8081 251.2476 -202475.1184 2265.9531 0.0000 0.0000 52065.2928 -108975.0588 299.2200 -161040.3516 -108600.7182 299.4877 -54.0619 -26.8654 764122.8918 -5.1161 -5.1746 LDB: ============= START OF LOAD BALANCING ============== 1409.69 LDB: ============== END OF LOAD BALANCING =============== 1409.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1409.7 LDB: ============= START OF LOAD BALANCING ============== 1410.01 LDB: Largest compute 7052 load 0.031492 is 16.2% of average load 0.194970 LDB: Average compute 0.004397 is 2.3% of average load 0.194970 LDB: TIME 1410.01 LOAD: AVG 0.19497 MAX 0.217459 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.812 MB LDB: TIME 1410.01 LOAD: AVG 0.19497 MAX 0.217459 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.91 MB LDB: TIME 1410.01 LOAD: AVG 0.19497 MAX 0.217459 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.91 MB LDB: ============== END OF LOAD BALANCING =============== 1410.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1410.02 PRESSURE: 448400 -349.147 -133.714 -136.862 -133.714 -60.613 156.99 -136.861 156.991 -54.069 GPRESSURE: 448400 -320.677 -149.34 -90.9522 -186.16 24.1716 256.761 42.1831 43.1062 -67.8947 PRESSAVG: 448400 -8.55539 -14.415 -54.2371 -14.415 -15.4344 -12.8561 -54.2371 -12.8562 3.76804 GPRESSAVG: 448400 -10.021 -15.0622 -55.8777 -13.0098 -14.3456 -11.7476 -54.7635 -16.3382 4.0715 TIMING: 448400 CPU: 1397.85, 0.00317958/step Wall: 1397.85, 0.00317958/step, 4.02005 hours remaining, 234.871094 MB of memory in use. ENERGY: 448400 4005.9238 20505.4691 14542.7461 239.5220 -202834.3797 2542.3402 0.0000 0.0000 52028.4408 -108969.9377 299.0082 -160998.3785 -108611.2159 298.8865 -154.6095 -121.4667 763033.0964 -6.7406 -6.7650 PRESSURE: 448600 176.087 -303.574 52.4128 -303.575 143.897 -174.031 52.413 -174.031 -22.1462 GPRESSURE: 448600 211.356 -230.347 61.5603 -97.3087 177.691 -188.966 8.82602 -180.88 -19.407 PRESSAVG: 448600 -51.6422 -14.7718 -28.5873 -14.7718 53.9215 -2.24168 -28.5873 -2.24169 -7.27061 GPRESSAVG: 448600 -50.0083 -14.4828 -27.0854 -16.3389 52.6424 -4.29294 -28.633 0.90961 -6.97095 TIMING: 448600 CPU: 1398.48, 0.00311509/step Wall: 1398.48, 0.00311509/step, 3.93834 hours remaining, 235.074219 MB of memory in use. ENERGY: 448600 3985.3144 20386.2929 14503.7492 240.8567 -203167.1653 2988.8829 0.0000 0.0000 52157.2861 -108904.7831 299.7486 -161062.0692 -108539.3844 299.2120 99.2793 123.2134 761524.3707 -1.6638 -1.4456 PRESSURE: 448800 -76.5776 290.588 220.301 290.588 -12.6725 -129.918 220.302 -129.917 101.98 GPRESSURE: 448800 -35.3212 218.789 361.424 219.571 69.3707 -125.825 175.756 -89.2841 51.6778 PRESSAVG: 448800 -5.5174 6.6127 -38.1893 6.61264 65.5569 11.5528 -38.1893 11.5527 -16.0807 GPRESSAVG: 448800 -6.71937 6.36517 -36.3252 7.88114 66.2196 13.1307 -40.2662 10.6068 -16.852 TIMING: 448800 CPU: 1399.1, 0.00311332/step Wall: 1399.1, 0.00311332/step, 3.93593 hours remaining, 235.074219 MB of memory in use. ENERGY: 448800 4010.3357 20434.8842 14483.5327 239.1442 -203158.6336 2868.9786 0.0000 0.0000 52220.2261 -108901.5320 300.1104 -161121.7581 -108539.8350 299.6491 4.2434 28.5758 762575.7762 14.6529 14.2161 PRESSURE: 449000 127.505 -105.373 -173.337 -105.372 -144.825 -9.09038 -173.337 -9.08925 -68.3389 GPRESSURE: 449000 163.079 -120.089 -187.446 -190.329 -69.5987 -53.408 20.7145 78.2819 -86.7067 PRESSAVG: 449000 19.1499 33.0505 -48.6885 33.0506 -0.889579 -38.0865 -48.6886 -38.0865 4.14365 GPRESSAVG: 449000 18.7481 32.4773 -49.0661 31.7272 -0.715012 -39.3167 -44.448 -36.2829 5.01253 TIMING: 449000 CPU: 1399.72, 0.00311002/step Wall: 1399.72, 0.00311002/step, 3.93159 hours remaining, 235.074219 MB of memory in use. ENERGY: 449000 3936.5876 20472.2257 14428.7397 254.2002 -203013.9362 2875.1793 0.0000 0.0000 52102.3532 -108944.6506 299.4329 -161047.0038 -108581.8720 299.2560 -28.5530 2.2580 763360.0566 7.4680 7.6819 PRESSURE: 449200 -193.466 159.237 -191.285 159.236 -71.8147 118.011 -191.285 118.011 -16.9822 GPRESSURE: 449200 -86.3707 274.936 -164.837 103.629 -54.0625 135.243 -290.777 217.614 -68.5125 PRESSAVG: 449200 -26.0691 -56.4428 -23.5069 -56.4428 4.56973 -10.0693 -23.5069 -10.0693 22.0784 GPRESSAVG: 449200 -25.3242 -55.9641 -23.3757 -55.1494 5.0727 -10.7464 -27.0886 -9.89965 20.9517 TIMING: 449200 CPU: 1400.34, 0.00309452/step Wall: 1400.34, 0.00309452/step, 3.91182 hours remaining, 235.074219 MB of memory in use. ENERGY: 449200 3962.3727 20537.6819 14417.5771 239.4498 -202762.9823 2604.8296 0.0000 0.0000 52095.7622 -108905.3091 299.3951 -161001.0712 -108544.9046 298.8280 -94.0875 -69.6486 761866.7798 0.1930 0.2334 PRESSURE: 449400 28.114 -15.5935 -110.944 -15.5936 -43.7519 -158.071 -110.944 -158.07 53.6915 GPRESSURE: 449400 33.7844 -32.3451 -59.3626 -19.5377 50.4784 -261.225 -152.421 -144.02 46.8158 PRESSAVG: 449400 -2.11796 76.2726 -111.548 76.2726 35.1692 0.50601 -111.548 0.506023 -3.36455 GPRESSAVG: 449400 -1.04072 76.0617 -112.798 74.6074 33.8838 -0.240061 -111.325 -1.311 -2.82004 TIMING: 449400 CPU: 1400.96, 0.00310394/step Wall: 1400.96, 0.00310395/step, 3.92356 hours remaining, 235.074219 MB of memory in use. ENERGY: 449400 4009.1790 20498.8823 14473.7573 265.1161 -202423.2991 2578.9774 0.0000 0.0000 52021.8372 -108575.5499 298.9702 -160597.3871 -108212.9172 300.0269 12.6846 43.6928 762880.7218 9.8956 10.0077 PRESSURE: 449600 -146.776 -144.808 -161.851 -144.808 -22.7678 14.3008 -161.851 14.3019 -231.489 GPRESSURE: 449600 -161.567 -54.4761 -139.919 -114.646 75.5205 -4.61764 -199.795 -48.4672 -221.288 PRESSAVG: 449600 -39.9634 -9.67466 -42.3079 -9.67466 -4.46148 10.5547 -42.3079 10.5546 1.47477 GPRESSAVG: 449600 -39.1689 -9.83563 -41.623 -6.89061 -5.21143 11.891 -40.2041 11.3413 1.80963 TIMING: 449600 CPU: 1401.58, 0.00310268/step Wall: 1401.58, 0.00310268/step, 3.92179 hours remaining, 235.074219 MB of memory in use. ENERGY: 449600 3948.5361 20365.4513 14469.4589 255.9246 -202096.6089 2437.3578 0.0000 0.0000 51937.8710 -108682.0092 298.4877 -160619.8802 -108313.3154 299.7536 -133.6776 -102.4450 763097.4032 -14.3167 -14.1902 PRESSURE: 449800 -28.3668 116.292 145.251 116.293 135.191 -35.2846 145.251 -35.2841 174.432 GPRESSURE: 449800 84.3704 -3.72552 25.0102 48.1794 142.368 -86.5603 -65.361 56.1743 122.405 PRESSAVG: 449800 45.4592 6.2646 -36.3104 6.26458 -4.03341 -42.8806 -36.3104 -42.8806 32.4309 GPRESSAVG: 449800 45.1804 7.7116 -35.9703 3.82503 -3.11821 -42.8323 -38.364 -43.2055 31.815 TIMING: 449800 CPU: 1402.2, 0.00310489/step Wall: 1402.2, 0.00310489/step, 3.92441 hours remaining, 235.074219 MB of memory in use. ENERGY: 449800 4016.6711 20485.7570 14460.8204 224.9710 -202771.5282 2742.9542 0.0000 0.0000 52081.8437 -108758.5108 299.3151 -160840.3545 -108396.6508 299.4670 93.7521 116.3813 764482.8827 24.6189 24.6257 PRESSURE: 450000 8.35845 -116.095 87.1296 -116.095 68.494 -50.8522 87.1283 -50.8536 280.36 GPRESSURE: 450000 97.4585 -5.53802 80.8963 91.0197 8.65507 -42.0735 58.8738 41.9452 343.177 PRESSAVG: 450000 -19.7126 24.4559 -61.6863 24.4558 -3.09228 -88.0401 -61.6864 -88.0401 4.21539 GPRESSAVG: 450000 -20.0008 22.5242 -61.9233 26.6181 -2.80447 -87.8582 -61.0455 -87.8366 4.49023 TIMING: 450000 CPU: 1402.82, 0.00310289/step Wall: 1402.82, 0.00310289/step, 3.92171 hours remaining, 235.074219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 450000 3942.1500 20600.6391 14388.2438 241.4920 -203254.7722 3101.9050 0.0000 0.0000 52040.0001 -108940.3423 299.0746 -160980.3424 -108576.4050 299.3985 119.0708 149.7636 764910.3275 -6.1965 -6.1050 PRESSURE: 450200 -215.396 -76.7311 46.028 -76.7312 260.959 33.8542 46.027 33.853 -127.507 GPRESSURE: 450200 -150.341 -38.2124 38.5219 -168.242 336.171 25.6642 -27.363 -19.7083 -162.375 PRESSAVG: 450200 -29.5768 7.72365 18.9635 7.72363 18.1146 18.8365 18.9635 18.8365 4.03838 GPRESSAVG: 450200 -29.9196 9.27142 16.8918 6.1298 18.6733 19.203 18.9257 16.4556 3.78888 TIMING: 450200 CPU: 1403.44, 0.00310332/step Wall: 1403.44, 0.00310332/step, 3.92208 hours remaining, 235.074219 MB of memory in use. ENERGY: 450200 4006.1005 20570.6355 14431.7032 218.1824 -202917.8980 2631.1192 0.0000 0.0000 52004.4620 -109055.6953 298.8704 -161060.1573 -108690.4883 298.8515 -27.3146 7.8184 764769.9536 -2.4746 -2.4858 PRESSURE: 450400 351.164 -243.035 -116.364 -243.036 -368.147 179.794 -116.365 179.794 -143.63 GPRESSURE: 450400 226.64 -275.971 -96.0478 -196.594 -180.872 200.602 -203.307 60.9248 -103.06 PRESSAVG: 450400 -20.5954 -10.2417 6.41817 -10.2417 39.5856 8.94457 6.41821 8.94461 17.0284 GPRESSAVG: 450400 -21.6261 -13.3776 6.90934 -9.00787 40.5723 8.91588 6.36901 9.95608 16.8595 TIMING: 450400 CPU: 1404.07, 0.00311431/step Wall: 1404.07, 0.00311431/step, 3.93579 hours remaining, 235.074219 MB of memory in use. ENERGY: 450400 4001.0236 20491.9133 14454.9450 251.3969 -203343.1975 2989.0563 0.0000 0.0000 52120.6445 -109034.2180 299.5381 -161154.8625 -108662.3259 299.0735 -53.5378 -19.0971 764573.4880 12.0062 11.9352 PRESSURE: 450600 -68.9197 -53.4919 64.3668 -53.4916 -85.7171 2.41702 64.3669 2.41684 183.896 GPRESSURE: 450600 -54.2837 -124.588 54.7163 -93.7649 -29.1405 -86.8575 39.9898 101.178 209.938 PRESSAVG: 450600 -63.4718 -12.8917 -2.1726 -12.8917 16.8008 -11.8832 -2.1726 -11.8831 -28.7868 GPRESSAVG: 450600 -62.3052 -9.195 -1.46432 -15.2559 16.4528 -11.5428 -2.45194 -12.4746 -29.6277 TIMING: 450600 CPU: 1404.69, 0.00310499/step Wall: 1404.69, 0.00310499/step, 3.92384 hours remaining, 235.074219 MB of memory in use. ENERGY: 450600 4010.1432 20524.8184 14464.0765 257.8211 -203207.5185 3013.6053 0.0000 0.0000 51827.8097 -109109.2442 297.8551 -160937.0540 -108756.1028 299.2736 9.7531 42.1713 766029.5525 -25.1526 -25.1601 PRESSURE: 450800 278.768 -4.07821 97.6563 -4.07734 -197.824 -175.643 97.6565 -175.644 413.303 GPRESSURE: 450800 463.989 -51.0264 88.252 54.6033 -285.989 -57.6641 192.648 -264.648 394.145 PRESSAVG: 450800 9.0078 -47.0128 -8.28824 -47.0127 -16.268 -51.5807 -8.28819 -51.5806 19.909 GPRESSAVG: 450800 7.52198 -49.6006 -8.33323 -44.5383 -16.0433 -52.2825 -8.12627 -50.3164 20.764 TIMING: 450800 CPU: 1405.31, 0.00310982/step Wall: 1405.31, 0.00310982/step, 3.92978 hours remaining, 235.074219 MB of memory in use. ENERGY: 450800 4042.0591 20659.9402 14548.3157 233.1312 -203706.8371 3196.6727 0.0000 0.0000 52041.3608 -108985.3574 299.0824 -161026.7182 -108639.1929 299.3709 164.7493 190.7152 765761.2753 4.2163 4.0809 PRESSURE: 451000 6.49781 95.6706 -197.686 95.6701 -279.707 -41.4824 -197.685 -41.4815 -170.064 GPRESSURE: 451000 28.704 18.018 -223.607 216.512 -201.553 -27.3252 -196.472 41.9555 -187.177 PRESSAVG: 451000 24.5128 -2.12862 -13.7104 -2.12865 -37.3392 -54.9849 -13.7104 -54.9848 -15.1572 GPRESSAVG: 451000 26.8915 -2.18043 -12.8572 -2.83018 -39.0229 -55.4374 -13.1508 -56.7313 -15.5426 TIMING: 451000 CPU: 1405.93, 0.00310688/step Wall: 1405.93, 0.00310688/step, 3.92589 hours remaining, 235.074219 MB of memory in use. ENERGY: 451000 4063.4066 20518.5043 14431.0903 238.0125 -203196.6615 2746.5667 0.0000 0.0000 52280.3943 -108918.6868 300.4561 -161199.0811 -108560.7349 299.3279 -147.7576 -120.0087 765879.6647 -9.3279 -9.2246 PRESSURE: 451200 67.1932 -129.448 33.2936 -129.449 -317.101 148.382 33.2934 148.382 -306.399 GPRESSURE: 451200 68.2443 -179.689 48.9909 -131.443 -265.216 127.764 34.2238 297.71 -271.701 PRESSAVG: 451200 30.4763 -23.6461 -37.5229 -23.6461 -29.5838 -57.4269 -37.5229 -57.4268 0.50384 GPRESSAVG: 451200 29.9681 -21.9898 -37.5345 -25.4517 -30.1103 -56.1517 -37.8835 -55.7168 1.43011 TIMING: 451200 CPU: 1406.55, 0.00310068/step Wall: 1406.55, 0.00310068/step, 3.91788 hours remaining, 235.074219 MB of memory in use. ENERGY: 451200 4001.5378 20676.3905 14467.9663 251.0007 -203467.7504 2960.7730 0.0000 0.0000 52002.5130 -109107.5691 298.8592 -161110.0821 -108741.7598 299.6541 -185.4356 -156.2239 763639.2861 0.4654 0.4293 PRESSURE: 451400 -239.902 -5.42033 -172.779 -5.42038 -99.1413 29.4429 -172.779 29.4417 -259.199 GPRESSURE: 451400 -192.241 60.785 -221.49 27.8667 -134.007 17.5316 -106.479 -83.2023 -174.366 PRESSAVG: 451400 5.69096 28.7191 1.90799 28.7192 -35.927 -38.6886 1.90806 -38.6886 -3.68048 GPRESSAVG: 451400 5.44634 28.0157 1.35425 29.2782 -35.3495 -40.5979 2.13083 -38.8806 -4.01153 TIMING: 451400 CPU: 1407.17, 0.00310299/step Wall: 1407.17, 0.00310299/step, 3.92063 hours remaining, 235.074219 MB of memory in use. ENERGY: 451400 4054.5667 20622.0181 14451.1248 255.7436 -203270.1250 2795.5312 0.0000 0.0000 52076.0410 -109015.0996 299.2817 -161091.1406 -108658.0794 299.1811 -199.4143 -166.8714 762921.5892 -11.3055 -11.3049 PRESSURE: 451600 86.5099 1.72241 -98.7568 1.72222 -204.668 3.09871 -98.757 3.09982 164.312 GPRESSURE: 451600 165.227 31.1527 -192.823 -42.4339 -170.44 -15.2689 24.7295 -76.5096 144.783 PRESSAVG: 451600 9.86011 -26.9841 23.5054 -26.9842 17.8472 -20.2619 23.5054 -20.2619 9.18151 GPRESSAVG: 451600 10.1212 -26.087 22.3218 -27.1415 17.9236 -20.0234 22.3254 -21.8581 8.84594 TIMING: 451600 CPU: 1407.79, 0.00311182/step Wall: 1407.79, 0.00311182/step, 3.93162 hours remaining, 235.074219 MB of memory in use. ENERGY: 451600 4016.8214 20506.9764 14466.7775 257.0735 -203303.4737 2880.5512 0.0000 0.0000 52162.4108 -109012.8628 299.7781 -161175.2737 -108648.9119 299.6899 15.3846 46.5233 763714.7980 12.2963 12.2969 PRESSURE: 451800 237.902 31.5508 16.8231 31.5511 304.245 -60.8542 16.8232 -60.8528 45.7663 GPRESSURE: 451800 257.21 -34.0025 111.714 110.123 325.589 -10.9398 58.2785 51.4073 68.7263 PRESSAVG: 451800 40.9739 -13.9874 -32.2892 -13.9873 12.5792 -18.4873 -32.2892 -18.4872 10.0192 GPRESSAVG: 451800 38.994 -15.5019 -29.3938 -14.2346 12.6233 -17.259 -32.4841 -19.193 11.1813 TIMING: 451800 CPU: 1408.42, 0.00311054/step Wall: 1408.42, 0.00311054/step, 3.92983 hours remaining, 235.074219 MB of memory in use. ENERGY: 451800 3974.4246 20313.9548 14493.1055 239.4812 -203629.4086 2929.1730 0.0000 0.0000 52442.7545 -109236.5151 301.3892 -161679.2696 -108868.9738 299.4442 195.9712 217.1752 762258.7106 21.1908 20.9329 PRESSURE: 452000 -89.8634 203.421 89.14 203.421 -430.601 -34.4054 89.1399 -34.406 321.706 GPRESSURE: 452000 -129.073 172.695 46.6871 143.059 -293.88 -47.7158 74.9395 -53.1458 303.756 PRESSAVG: 452000 -48.4765 0.202121 13.2874 0.202116 9.15825 47.9854 13.2874 47.9854 -6.72118 GPRESSAVG: 452000 -47.5421 0.355631 11.2105 2.0782 8.99208 45.6401 14.1796 51.1515 -7.43182 TIMING: 452000 CPU: 1409.04, 0.00311378/step Wall: 1409.04, 0.00311378/step, 3.93375 hours remaining, 235.074219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 452000 3999.7082 20653.5368 14484.2305 233.4676 -203148.2809 2607.9305 0.0000 0.0000 52000.1303 -109169.2770 298.8455 -161169.4073 -108811.1228 299.0746 -66.2530 -39.7326 762585.1286 -15.3465 -15.3273 PRESSURE: 452200 87.8364 57.6081 -348.192 57.608 -54.3565 -157.507 -348.192 -157.505 184.132 GPRESSURE: 452200 131.435 41.6817 -285.397 92.8254 20.0711 -201.906 -220.838 -85.6813 145.712 PRESSAVG: 452200 -30.5516 -18.9454 -43.8223 -18.9455 38.959 -0.91602 -43.8223 -0.916046 8.77735 GPRESSAVG: 452200 -30.731 -18.2864 -43.6291 -20.5191 39.3307 -1.5035 -42.4243 -2.40426 8.72963 TIMING: 452200 CPU: 1409.66, 0.00310879/step Wall: 1409.66, 0.00310879/step, 3.92726 hours remaining, 235.074219 MB of memory in use. ENERGY: 452200 3969.7504 20510.2377 14506.5434 260.2536 -203662.4427 2993.8404 0.0000 0.0000 52298.1041 -109123.7133 300.5579 -161421.8174 -108751.8469 299.1286 72.5373 99.0727 762821.7503 5.7282 5.7764 LDB: ============= START OF LOAD BALANCING ============== 1422.14 LDB: ============== END OF LOAD BALANCING =============== 1422.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1422.14 LDB: ============= START OF LOAD BALANCING ============== 1422.45 LDB: Largest compute 7010 load 0.029861 is 15.3% of average load 0.194925 LDB: Average compute 0.004383 is 2.2% of average load 0.194925 LDB: TIME 1422.46 LOAD: AVG 0.194925 MAX 0.21344 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.816 MB LDB: TIME 1422.46 LOAD: AVG 0.194925 MAX 0.21344 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.816 MB LDB: TIME 1422.46 LOAD: AVG 0.194925 MAX 0.21344 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.816 MB LDB: ============== END OF LOAD BALANCING =============== 1422.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1422.46 PRESSURE: 452400 182.499 60.6345 -119.156 60.6336 30.6591 61.4858 -119.157 61.4862 284.381 GPRESSURE: 452400 165.009 109.429 -157.135 -137.428 76.7259 187.839 -49.6196 -80.9232 323.969 PRESSAVG: 452400 -51.9103 -7.78564 -31.9805 -7.7856 46.8937 -10.5434 -31.9804 -10.5433 -19.1377 GPRESSAVG: 452400 -52.2727 -9.34109 -30.5437 -6.33754 46.8187 -8.40407 -31.1508 -10.6727 -18.9133 TIMING: 452400 CPU: 1410.3, 0.00318666/step Wall: 1410.3, 0.00318666/step, 4.02546 hours remaining, 233.734375 MB of memory in use. ENERGY: 452400 3971.6912 20705.1131 14506.6063 241.6818 -203633.7861 3004.9211 0.0000 0.0000 51893.5438 -109310.2287 298.2329 -161203.7726 -108956.7050 298.9129 165.8465 188.5681 762778.3910 -8.0514 -8.1224 PRESSURE: 452600 -238.877 89.6464 184.561 89.6459 -82.0197 -126.656 184.561 -126.656 -100.722 GPRESSURE: 452600 -197.008 72.3881 221.814 100.762 -58.4146 -168.321 206.591 -69.2419 -62.8783 PRESSAVG: 452600 -7.57625 35.4793 -32.9848 35.4793 -4.67848 12.6993 -32.9848 12.6993 -4.55743 GPRESSAVG: 452600 -7.38903 38.9113 -35.129 33.4355 -4.46605 14.2156 -34.2063 13.5539 -5.20724 TIMING: 452600 CPU: 1410.92, 0.00311106/step Wall: 1410.92, 0.00311106/step, 3.92978 hours remaining, 233.734375 MB of memory in use. ENERGY: 452600 4103.0721 20481.6711 14498.1549 232.7878 -203356.6987 2846.5743 0.0000 0.0000 51722.9463 -109471.4923 297.2525 -161194.4386 -109122.9306 298.3543 -140.5393 -106.1002 763058.1193 -5.6041 -5.6874 PRESSURE: 452800 287.808 77.7358 -128.61 77.735 22.0297 98.4733 -128.611 98.4733 111.758 GPRESSURE: 452800 254.012 32.2743 -104.416 29.1208 89.6968 151.768 -48.9757 179.199 146.977 PRESSAVG: 452800 7.80951 53.4336 -2.72962 53.4336 -4.77089 -17.4084 -2.72963 -17.4085 -15.6624 GPRESSAVG: 452800 7.36431 47.9963 -1.6261 54.3671 -5.57298 -17.3476 -2.71877 -17.707 -14.1084 TIMING: 452800 CPU: 1411.54, 0.00311375/step Wall: 1411.54, 0.00311375/step, 3.93301 hours remaining, 233.734375 MB of memory in use. ENERGY: 452800 4015.0136 20714.3491 14428.9348 245.7773 -203290.4498 2885.8833 0.0000 0.0000 51661.9592 -109338.5325 296.9020 -161000.4917 -108985.9785 297.9418 140.5321 163.5621 764996.4507 -4.2079 -4.1057 PRESSURE: 453000 -21.1193 -33.3986 -128.097 -33.3981 -154.422 21.9318 -128.097 21.932 -162.332 GPRESSURE: 453000 77.048 -49.8655 -165.807 54.5699 -172.018 72.1649 -63.8773 -34.0272 -170.126 PRESSAVG: 453000 29.3183 25.4487 -13.1626 25.4487 -18.7749 -17.7508 -13.1626 -17.7508 5.38856 GPRESSAVG: 453000 29.5347 28.5742 -11.8577 26.4255 -18.0054 -17.1677 -13.6582 -18.5531 4.18294 TIMING: 453000 CPU: 1412.16, 0.00310602/step Wall: 1412.16, 0.00310602/step, 3.92308 hours remaining, 233.734375 MB of memory in use. ENERGY: 453000 4042.2474 20559.8881 14512.2157 260.7895 -202898.2594 2664.8130 0.0000 0.0000 51812.4700 -109045.8357 297.7670 -160858.3057 -108684.5612 299.0150 -112.6246 -88.3654 766358.9327 5.3106 5.2374 PRESSURE: 453200 245.048 -42.312 -32.2305 -42.3129 173.879 -44.2735 -32.2296 -44.2735 -125.969 GPRESSURE: 453200 312.258 88.5266 -11.4373 4.53626 253.504 -41.2832 -3.94245 37.5199 -208.763 PRESSAVG: 453200 0.695238 6.41241 45.1184 6.41244 9.99559 -16.8705 45.1184 -16.8704 19.9384 GPRESSAVG: 453200 0.742968 7.21399 45.7849 4.51619 10.9185 -18.7793 46.0147 -15.1703 18.836 TIMING: 453200 CPU: 1412.78, 0.00309414/step Wall: 1412.78, 0.00309414/step, 3.9079 hours remaining, 233.734375 MB of memory in use. ENERGY: 453200 4018.9461 20414.1932 14478.9729 250.6117 -202949.2235 2669.6945 0.0000 0.0000 51987.2793 -109129.5258 298.7716 -161116.8051 -108763.9098 298.8349 97.6528 118.9997 763903.0746 10.2097 10.1658 PRESSURE: 453400 145.316 -346.145 -58.9749 -346.145 114.459 -77.6026 -58.9749 -77.6029 157.293 GPRESSURE: 453400 217.022 -275.841 4.27233 -437.542 143.823 -98.7676 -151.085 41.9867 165.491 PRESSAVG: 453400 35.2048 -50.4992 16.9081 -50.4992 -36.0113 8.96566 16.9081 8.96562 -21.1521 GPRESSAVG: 453400 34.3327 -52.7772 15.777 -49.1868 -36.0823 8.95656 13.3274 9.5801 -20.3309 TIMING: 453400 CPU: 1413.4, 0.00310665/step Wall: 1413.4, 0.00310665/step, 3.92353 hours remaining, 233.734375 MB of memory in use. ENERGY: 453400 3994.1195 20446.9467 14493.6243 237.3987 -203218.1243 2821.8765 0.0000 0.0000 52078.9609 -109145.1976 299.2985 -161224.1585 -108780.1671 298.7588 139.0226 175.4453 764432.3667 -7.3195 -7.3601 PRESSURE: 453600 -1.9058 158.305 16.8887 158.305 312.637 5.2945 16.8882 5.29449 -12.4947 GPRESSURE: 453600 53.2338 193.562 -20.761 85.3901 278.577 -29.1183 -14.963 -3.43348 52.694 PRESSAVG: 453600 -16.3384 11.0525 -23.3174 11.0526 23.6689 9.09534 -23.3173 9.0953 2.21558 GPRESSAVG: 453600 -16.448 12.6976 -23.5697 9.61721 23.2743 8.93136 -21.0602 8.81693 2.81886 TIMING: 453600 CPU: 1414.03, 0.00311001/step Wall: 1414.03, 0.00311001/step, 3.9276 hours remaining, 233.734375 MB of memory in use. ENERGY: 453600 3976.9546 20353.4261 14428.1950 244.5798 -203035.0594 2759.7470 0.0000 0.0000 52024.6728 -109247.4840 298.9865 -161272.1568 -108881.0156 298.8277 99.4122 128.1682 763187.5366 3.1820 3.2150 PRESSURE: 453800 -236.619 -128.41 80.2366 -128.409 -23.0151 379.588 80.2362 379.588 117.931 GPRESSURE: 453800 -278.619 -250.951 109.486 -137.272 58.1903 372.681 111.576 333.868 159.677 PRESSAVG: 453800 -60.2852 13.3597 14.2704 13.3596 86.0112 -27.0288 14.2704 -27.0288 2.82759 GPRESSAVG: 453800 -59.4325 12.5525 15.5259 14.2391 85.5968 -26.6501 14.039 -27.9265 2.14358 TIMING: 453800 CPU: 1414.65, 0.00310124/step Wall: 1414.65, 0.00310124/step, 3.91635 hours remaining, 233.734375 MB of memory in use. ENERGY: 453800 4002.2494 20541.8352 14476.7890 240.0521 -203561.6809 3005.1446 0.0000 0.0000 51871.6816 -109423.9291 298.1073 -161295.6107 -109065.2531 298.1701 -47.2342 -20.2506 763470.5240 9.5179 9.4360 PRESSURE: 454000 70.965 -107.336 69.3659 -107.337 -300.929 -255.89 69.365 -255.889 518.595 GPRESSURE: 454000 98.232 10.0117 -12.3366 -47.2439 -182.599 -199.899 208.792 -147.773 455.178 PRESSAVG: 454000 -59.446 6.49611 12.2841 6.49609 27.2992 -5.99278 12.2841 -5.99277 15.2069 GPRESSAVG: 454000 -58.4761 6.09596 11.6198 5.94686 28.2856 -6.0375 12.5707 -6.36549 13.2157 TIMING: 454000 CPU: 1415.26, 0.00309647/step Wall: 1415.26, 0.00309647/step, 3.91015 hours remaining, 233.734375 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: 454000 4009.3052 20493.8542 14501.7489 267.3130 -203390.6065 2967.0338 0.0000 0.0000 51737.4789 -109413.8725 297.3360 -161151.3513 -109049.6491 298.3400 96.2104 123.6037 762690.1267 -5.6466 -5.6583 PRESSURE: 454200 378.895 21.2773 11.2958 21.2783 221.117 -18.7057 11.2958 -18.7061 5.62046 GPRESSURE: 454200 296.355 -35.9476 5.43836 -94.9647 234.213 8.73993 50.6414 -88.5505 140.939 PRESSAVG: 454200 10.5681 38.1219 66.5717 38.1219 -11.0029 -15.7826 66.5717 -15.7826 -31.8456 GPRESSAVG: 454200 8.10274 38.2231 66.0828 39.3458 -10.8789 -14.851 66.8833 -14.3497 -29.8228 TIMING: 454200 CPU: 1415.88, 0.00309964/step Wall: 1415.88, 0.00309964/step, 3.91399 hours remaining, 233.734375 MB of memory in use. ENERGY: 454200 3874.3281 20608.4681 14428.2255 248.6468 -203679.3724 3004.2565 0.0000 0.0000 52074.1665 -109441.2808 299.2710 -161515.4473 -109082.2450 298.4263 201.8773 223.8354 761963.8897 -10.7601 -10.8663 PRESSURE: 454400 -51.4146 -97.9354 -224.116 -97.936 122.84 -171.684 -224.115 -171.683 -128.267 GPRESSURE: 454400 118.276 -98.7347 -208.196 -107.457 101.518 -237.891 -175.987 -151.432 -176.097 PRESSAVG: 454400 26.6548 -0.536049 -48.2109 -0.53607 -21.0744 -11.6618 -48.2109 -11.6618 -7.7424 GPRESSAVG: 454400 27.4337 -0.151384 -48.6537 -1.82009 -22.6319 -12.3206 -48.3302 -14.1932 -7.8337 TIMING: 454400 CPU: 1416.51, 0.00310528/step Wall: 1416.51, 0.00310528/step, 3.92093 hours remaining, 233.734375 MB of memory in use. ENERGY: 454400 3998.4835 20569.9592 14430.9462 239.3728 -203187.3287 2719.0545 0.0000 0.0000 52079.3660 -109150.1465 299.3008 -161229.5125 -108787.1224 298.6780 -18.9473 14.5658 761316.6288 -0.7207 -1.0107 PRESSURE: 454600 351.033 29.2895 -25.5352 29.29 75.6485 53.6059 -25.5357 53.6068 -524.896 GPRESSURE: 454600 361.568 73.3192 -105.731 -36.1822 67.2867 117.452 -22.1855 136.963 -452.917 PRESSAVG: 454600 -60.2491 -15.342 24.7343 -15.342 25.4647 -2.44264 24.7343 -2.44264 20.5543 GPRESSAVG: 454600 -60.5692 -15.0187 23.7726 -14.1386 25.4101 -1.47783 24.6696 -2.58417 20.6472 TIMING: 454600 CPU: 1417.13, 0.00311189/step Wall: 1417.13, 0.00311189/step, 3.92911 hours remaining, 233.734375 MB of memory in use. ENERGY: 454600 3966.2901 20500.0230 14428.5320 264.4880 -203101.8301 2587.9295 0.0000 0.0000 52341.3110 -109013.2565 300.8062 -161354.5675 -108634.2859 299.0884 -32.7384 -8.0207 762685.0659 -4.7434 -4.8373 PRESSURE: 454800 -180.687 241.787 -90.0946 241.789 -204.007 -233.774 -90.0951 -233.773 -79.2175 GPRESSURE: 454800 -153.015 175.884 -149.463 216.727 -187.407 -172.84 -149.808 -106.267 -46.2774 PRESSAVG: 454800 -50.5763 -9.65215 48.5961 -9.65209 13.566 -25.3361 48.5961 -25.3361 -3.37775 GPRESSAVG: 454800 -50.5521 -12.0676 50.0769 -8.9918 14.0211 -26.0618 47.9748 -25.2188 -3.87771 TIMING: 454800 CPU: 1417.75, 0.00311644/step Wall: 1417.75, 0.00311644/step, 3.93467 hours remaining, 233.734375 MB of memory in use. ENERGY: 454800 4004.8468 20590.6390 14375.0466 277.7031 -202545.1322 2325.1013 0.0000 0.0000 51947.2933 -109024.5022 298.5418 -160971.7955 -108658.7747 299.0070 -154.6371 -128.9000 763011.6961 -13.4627 -13.4696 PRESSURE: 455000 104.497 -137.61 227.006 -137.61 -115.109 -197.272 227.006 -197.272 -538.852 GPRESSURE: 455000 94.0701 -85.3765 226.742 -76.0313 -9.5387 -193.932 139.4 -155.508 -537.794 PRESSAVG: 455000 53.1394 -12.323 35.3678 -12.323 -36.9065 -26.9214 35.3678 -26.9214 13.3509 GPRESSAVG: 455000 53.2188 -10.6711 34.7604 -11.8288 -36.9145 -26.8854 36.3629 -25.2919 13.7032 TIMING: 455000 CPU: 1418.37, 0.00310163/step Wall: 1418.37, 0.00310163/step, 3.9158 hours remaining, 233.734375 MB of memory in use. ENERGY: 455000 3981.4408 20650.4852 14474.4129 246.4217 -203228.9668 2565.7315 0.0000 0.0000 52234.0166 -109076.4581 300.1896 -161310.4746 -108719.8654 299.3707 -183.1545 -151.0876 762217.5947 9.8613 10.0025 PRESSURE: 455200 -148.08 84.4816 -79.2987 84.4808 96.1806 135.732 -79.2994 135.732 -42.5354 GPRESSURE: 455200 -61.6327 -82.5615 -53.3469 61.0543 94.8008 110.808 27.2302 146.342 -33.5399 PRESSAVG: 455200 -12.1031 -44.0414 85.7888 -44.0414 -30.597 -16.8469 85.7887 -16.8469 25.7206 GPRESSAVG: 455200 -11.2929 -43.6201 85.8601 -44.66 -30.4433 -17.3196 87.17 -15.8205 24.8257 TIMING: 455200 CPU: 1418.99, 0.0031018/step Wall: 1418.99, 0.0031018/step, 3.91585 hours remaining, 233.734375 MB of memory in use. ENERGY: 455200 4061.0890 20556.4082 14449.0187 247.0399 -203660.2768 2894.0637 0.0000 0.0000 52181.1044 -109271.5529 299.8855 -161452.6573 -108903.0964 299.1749 -31.4781 -0.1239 761717.5701 -5.6598 -5.6369 PRESSURE: 455400 -55.9916 -0.861903 150.536 -0.862745 -211.645 -22.1665 150.535 -22.166 -464.824 GPRESSURE: 455400 -48.2621 61.5385 174.498 42.8507 -152.903 -98.6821 112.908 -172.619 -448.619 PRESSAVG: 455400 15.2863 2.88446 31.7901 2.88444 5.36587 -8.40075 31.7901 -8.40076 -25.8088 GPRESSAVG: 455400 15.1938 2.95864 32.5918 1.68744 5.34915 -8.1697 30.5206 -9.45581 -25.7057 TIMING: 455400 CPU: 1419.61, 0.00311203/step Wall: 1419.61, 0.00311203/step, 3.92859 hours remaining, 233.734375 MB of memory in use. ENERGY: 455400 3997.8762 20467.1781 14427.6380 270.0805 -203031.8151 2551.3906 0.0000 0.0000 51963.4372 -109354.2145 298.6346 -161317.6517 -108987.8506 298.9799 -244.1534 -216.5948 762981.2534 -1.7189 -1.7209 PRESSURE: 455600 47.918 21.0529 -174.217 21.0526 -70.5115 38.9845 -174.218 38.9843 -33.9493 GPRESSURE: 455600 27.0202 -4.64019 -101.964 73.9691 -1.74338 -91.2236 -251.177 111.857 -16.8252 PRESSAVG: 455600 53.467 -72.5467 -18.2785 -72.5466 -35.4825 -33.1609 -18.2784 -33.1608 8.73058 GPRESSAVG: 455600 52.4733 -72.458 -18.2624 -72.371 -35.3588 -33.5641 -19.9527 -33.3206 8.66223 TIMING: 455600 CPU: 1420.23, 0.00310121/step Wall: 1420.23, 0.00310121/step, 3.91477 hours remaining, 233.734375 MB of memory in use. ENERGY: 455600 3998.4300 20607.3816 14475.9159 267.7664 -203235.2563 2783.4361 0.0000 0.0000 52094.1125 -109008.2138 299.3856 -161102.3263 -108644.1601 299.3611 -18.8476 2.8172 763086.2720 8.9050 8.5922 PRESSURE: 455800 199.344 169.071 -157.661 169.07 -197.804 -119.754 -157.66 -119.755 -15.8276 GPRESSURE: 455800 216.345 64.4558 -233.61 221.841 -158.313 -5.65729 -129.165 -81.709 -6.46484 PRESSAVG: 455800 53.2483 -1.60464 -9.83439 -1.6046 -1.25439 -24.7712 -9.83437 -24.7713 20.0828 GPRESSAVG: 455800 53.3804 -0.0201921 -11.3676 -3.29847 -1.55095 -24.9374 -8.1533 -24.6146 20.1952 TIMING: 455800 CPU: 1420.86, 0.00310316/step Wall: 1420.86, 0.00310316/step, 3.91705 hours remaining, 233.734375 MB of memory in use. ENERGY: 455800 4044.0643 20618.8541 14436.8516 244.0656 -203358.5905 3086.1893 0.0000 0.0000 51918.4331 -109010.1326 298.3759 -160928.5656 -108641.0247 299.6868 -4.7624 17.1888 762905.9520 24.0256 24.0082 PRESSURE: 456000 -49.2203 -20.5437 68.8741 -20.5437 35.9102 -43.2319 68.8732 -43.2318 23.8344 GPRESSURE: 456000 -91.2355 -193.262 74.6286 -14.1642 88.5085 -45.6203 -8.51797 2.43118 95.1223 PRESSAVG: 456000 -11.3862 -36.0748 69.232 -36.0748 -19.5719 -49.2859 69.232 -49.2859 -9.13043 GPRESSAVG: 456000 -11.0622 -39.8663 70.5651 -34.5826 -19.7485 -47.8122 67.1091 -49.0378 -8.92265 TIMING: 456000 CPU: 1421.48, 0.00310827/step Wall: 1421.48, 0.00310827/step, 3.92333 hours remaining, 233.734375 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: 456000 3918.6769 20662.6875 14404.3508 232.3753 -203182.2526 2538.3600 0.0000 0.0000 52262.9965 -109162.8055 300.3562 -161425.8021 -108790.3321 299.6066 3.5081 30.7984 762531.4399 -13.3628 -13.2445 PRESSURE: 456200 -298.072 55.5315 197.483 55.531 -291.504 -27.8733 197.483 -27.8735 -336.693 GPRESSURE: 456200 -307.987 32.5152 249.896 118.893 -227.212 -48.7803 58.412 106.419 -297.951 PRESSAVG: 456200 12.4269 -51.4831 21.6912 -51.4831 2.32543 -9.75253 21.6912 -9.75257 1.26808 GPRESSAVG: 456200 13.2411 -51.7587 21.3603 -52.1897 1.51094 -8.74743 23.754 -10.1062 0.788895 TIMING: 456200 CPU: 1422.1, 0.00310761/step Wall: 1422.1, 0.00310761/step, 3.92233 hours remaining, 233.734375 MB of memory in use. ENERGY: 456200 3981.7189 20601.6214 14354.7907 251.5852 -203116.6977 2525.9978 0.0000 0.0000 51818.8512 -109582.1324 297.8037 -161400.9837 -109214.3814 298.8855 -308.7562 -277.7164 762685.8944 5.3401 5.1803 LDB: ============= START OF LOAD BALANCING ============== 1434.58 LDB: ============== END OF LOAD BALANCING =============== 1434.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1434.58 LDB: ============= START OF LOAD BALANCING ============== 1434.89 LDB: Largest compute 7052 load 0.031113 is 16.0% of average load 0.194864 LDB: Average compute 0.004362 is 2.2% of average load 0.194864 LDB: TIME 1434.89 LOAD: AVG 0.194864 MAX 0.21639 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.734 MB LDB: TIME 1434.89 LOAD: AVG 0.194864 MAX 0.21639 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.734 MB LDB: TIME 1434.89 LOAD: AVG 0.194864 MAX 0.21639 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.734 MB LDB: ============== END OF LOAD BALANCING =============== 1434.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1434.9 PRESSURE: 456400 19.3175 21.5436 -111.583 21.5447 -84.0602 -32.0508 -111.583 -32.0488 -34.9818 GPRESSURE: 456400 57.781 -1.38552 -69.3267 -61.3248 -102.313 4.39618 -137.392 12.6181 17.5126 PRESSAVG: 456400 5.74164 -20.803 14.7552 -20.8031 11.9198 4.14438 14.7553 4.14437 18.1971 GPRESSAVG: 456400 5.04603 -19.8945 14.7811 -23.2888 12.564 1.25386 14.5284 4.18577 18.81 TIMING: 456400 CPU: 1422.73, 0.00317266/step Wall: 1422.73, 0.00317266/step, 4.00425 hours remaining, 233.734375 MB of memory in use. ENERGY: 456400 3967.8521 20536.3089 14385.1123 225.3908 -203400.5039 2770.0805 0.0000 0.0000 51915.5362 -109600.2230 298.3593 -161515.7593 -109242.2412 298.3300 -33.2415 -9.0065 761137.4765 11.9528 12.1400 PRESSURE: 456600 245.73 -72.7269 148.269 -72.7272 335.793 -8.58669 148.27 -8.58497 -135.769 GPRESSURE: 456600 319.648 -94.5268 140.591 -4.66615 354.683 -38.448 70.6475 11.4877 -151.557 PRESSAVG: 456600 15.5651 -12.5873 25.9787 -12.5873 -15.3307 41.7878 25.9788 41.788 -18.6255 GPRESSAVG: 456600 15.7264 -10.9298 25.1282 -9.59553 -15.0589 42.4351 25.4495 42.5804 -19.4277 TIMING: 456600 CPU: 1423.35, 0.0030992/step Wall: 1423.35, 0.0030992/step, 3.91137 hours remaining, 233.734375 MB of memory in use. ENERGY: 456600 3955.6239 20400.7033 14456.0342 251.6776 -203623.8874 3010.7721 0.0000 0.0000 51868.2169 -109680.8593 298.0874 -161549.0762 -109320.8622 297.8918 148.5847 174.2581 760855.5691 -6.1304 -6.2534 PRESSURE: 456800 71.2846 -104.32 -133.052 -104.32 -70.7933 73.9986 -133.053 73.9976 -41.5416 GPRESSURE: 456800 1.07345 -66.9764 -66.6436 4.22382 -82.6298 65.9184 -199.689 109.835 107.614 PRESSAVG: 456800 -15.9848 -49.4992 0.482513 -49.4992 -6.92735 -9.48269 0.482492 -9.48274 14.8218 GPRESSAVG: 456800 -16.0556 -51.5857 1.11053 -47.5289 -7.64336 -9.85492 -0.131059 -11.0133 14.7035 TIMING: 456800 CPU: 1423.97, 0.00311028/step Wall: 1423.97, 0.00311028/step, 3.92518 hours remaining, 233.734375 MB of memory in use. ENERGY: 456800 4001.3612 20635.1985 14446.9701 252.1251 -203894.4901 3147.1770 0.0000 0.0000 51853.6986 -109557.9597 298.0039 -161411.6583 -109201.8827 297.9705 -13.6834 8.6859 762761.6546 -2.6968 -2.9985 PRESSURE: 457000 -3.96422 -37.3316 67.5088 -37.3308 -67.8706 -137.036 67.5086 -137.037 16.9181 GPRESSURE: 457000 72.883 -136.073 149.309 17.4926 -102.225 -85.4157 1.13365 -123.462 64.1795 PRESSAVG: 457000 -35.7578 -13.361 17.9461 -13.361 77.5866 -2.16873 17.9461 -2.16884 -19.5469 GPRESSAVG: 457000 -36.3903 -12.5434 17.8187 -16.6646 77.8468 -1.3485 19.0016 -2.48365 -19.7607 TIMING: 457000 CPU: 1424.59, 0.003093/step Wall: 1424.59, 0.003093/step, 3.90319 hours remaining, 233.734375 MB of memory in use. ENERGY: 457000 3990.6943 20681.5569 14407.7678 234.1043 -203707.1170 2845.6632 0.0000 0.0000 52173.3852 -109373.9452 299.8412 -161547.3304 -109004.6316 298.9289 -18.3056 11.6124 763756.1736 7.4273 7.2319 PRESSURE: 457200 -165.283 26.9809 79.3535 26.9812 -118.043 -206.887 79.3537 -206.887 167.083 GPRESSURE: 457200 -59.9288 -114.417 59.0735 46.5218 -69.5976 -193.918 88.5253 -58.6884 102.217 PRESSAVG: 457200 -39.029 1.00241 -17.9749 1.00247 0.534009 -14.6193 -17.975 -14.6195 -5.65736 GPRESSAVG: 457200 -38.5416 -0.703169 -18.2521 -0.50192 0.936338 -15.3876 -18.6469 -13.6746 -6.27191 TIMING: 457200 CPU: 1425.21, 0.00309724/step Wall: 1425.21, 0.00309723/step, 3.90837 hours remaining, 233.734375 MB of memory in use. ENERGY: 457200 3989.1339 20577.3366 14410.9279 253.0470 -203193.1164 2728.0307 0.0000 0.0000 52175.6602 -109058.9801 299.8542 -161234.6403 -108692.8234 299.0679 -38.7477 -9.1032 761803.2865 -14.7175 -14.6257 PRESSURE: 457400 -132.836 138.394 -89.1826 138.394 -86.7424 0.286228 -89.1831 0.286727 -140.408 GPRESSURE: 457400 -33.8066 174.353 26.9457 109.858 -154.599 -9.37481 -152.043 4.16994 -84.9944 PRESSAVG: 457400 41.88 33.4876 28.4218 33.4876 -16.2689 -3.99683 28.4218 -3.99686 0.176511 GPRESSAVG: 457400 41.2849 35.3035 29.2684 36.282 -16.1541 -3.23079 27.2082 -5.59582 0.65209 TIMING: 457400 CPU: 1425.83, 0.00309001/step Wall: 1425.83, 0.00309001/step, 3.89908 hours remaining, 233.734375 MB of memory in use. ENERGY: 457400 4036.0750 20651.9447 14460.8586 251.7246 -203315.6277 2587.6194 0.0000 0.0000 52039.5290 -109287.8764 299.0719 -161327.4054 -108935.1152 299.0839 -119.9956 -91.1333 762401.3284 8.5959 8.5943 PRESSURE: 457600 -111.598 -202.126 -129.56 -202.126 -129.554 35.3062 -129.561 35.3074 198.949 GPRESSURE: 457600 -154.895 -220.921 -62.9667 -278.871 20.0741 11.7276 -87.1596 74.331 185.023 PRESSAVG: 457600 -42.361 -9.45446 13.8205 -9.45443 77.7728 -31.8972 13.8206 -31.8972 15.454 GPRESSAVG: 457600 -40.7309 -10.6032 13.391 -8.84303 76.1117 -32.4843 16.0421 -30.0034 14.9902 TIMING: 457600 CPU: 1426.45, 0.00309695/step Wall: 1426.45, 0.00309695/step, 3.90766 hours remaining, 233.734375 MB of memory in use. ENERGY: 457600 4105.5405 20562.8502 14493.1512 263.5821 -203550.1260 2927.5385 0.0000 0.0000 51853.6269 -109343.8365 298.0035 -161197.4634 -108993.7092 298.8766 -14.0678 16.7341 762873.5945 16.9553 16.7903 PRESSURE: 457800 -36.9893 -171.28 117.24 -171.28 -287.153 -127.815 117.241 -127.816 -61.8728 GPRESSURE: 457800 15.0967 -119.209 113.284 -139.346 -248.965 -208.525 -18.1205 0.852338 -64.8363 PRESSAVG: 457800 -13.2487 -43.0761 15.2178 -43.0762 33.3333 -6.80694 15.2178 -6.80688 5.23635 GPRESSAVG: 457800 -14.8289 -41.5976 16.1513 -43.4104 34.305 -6.59002 12.8593 -7.72643 6.11171 TIMING: 457800 CPU: 1427.07, 0.00310574/step Wall: 1427.07, 0.00310574/step, 3.91858 hours remaining, 233.734375 MB of memory in use. ENERGY: 457800 4050.1600 20541.5149 14413.6595 235.0425 -203527.5382 2954.8562 0.0000 0.0000 51885.0818 -109447.2233 298.1843 -161332.3051 -109086.5653 298.0425 -128.6715 -99.5682 764203.5266 8.4403 8.5293 PRESSURE: 458000 238.11 27.4437 45.1802 27.4438 -60.2493 139.486 45.1795 139.486 -296.524 GPRESSURE: 458000 257.453 3.33424 -9.86912 113.589 -4.29476 224.651 125.29 93.5657 -263.222 PRESSAVG: 458000 -52.3871 11.5884 7.95958 11.5884 34.4986 2.00498 7.95956 2.00505 10.2752 GPRESSAVG: 458000 -52.3949 10.0441 4.25367 13.3792 34.7484 3.03372 12.0257 3.72772 10.1853 TIMING: 458000 CPU: 1427.69, 0.0031087/step Wall: 1427.69, 0.0031087/step, 3.92214 hours remaining, 233.734375 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: 458000 4112.5547 20637.8744 14431.2908 244.3917 -203793.2111 3321.6522 0.0000 0.0000 51776.6416 -109268.8057 297.5611 -161045.4473 -108914.4229 298.0675 -39.5546 -3.3547 765207.2916 -2.5378 -2.4871 PRESSURE: 458200 78.1482 -31.2071 18.1733 -31.206 247.551 -24.7855 18.1718 -24.7862 346.063 GPRESSURE: 458200 239.458 -78.8441 25.0537 19.41 281.247 7.28943 33.299 11.9921 228.819 PRESSAVG: 458200 -28.012 -18.8061 -16.3868 -18.8061 -11.9391 15.1059 -16.3868 15.106 -17.1204 GPRESSAVG: 458200 -27.823 -18.4354 -14.1685 -20.1711 -12.5404 13.7985 -17.78 14.5452 -17.0314 TIMING: 458200 CPU: 1428.31, 0.00309432/step Wall: 1428.31, 0.00309432/step, 3.90383 hours remaining, 233.734375 MB of memory in use. ENERGY: 458200 3925.2303 20687.0276 14580.2310 250.2452 -203578.8740 3109.4494 0.0000 0.0000 51852.1633 -109174.5272 297.9951 -161026.6905 -108813.9174 298.7526 223.9207 249.8413 763715.9796 -19.0238 -19.1316 PRESSURE: 458400 -406.229 -65.4745 108.934 -65.474 237.264 210.763 108.934 210.762 -318.602 GPRESSURE: 458400 -442.313 -104.63 30.9278 -52.8132 296.778 138.847 179.132 257.425 -251.344 PRESSAVG: 458400 -28.9554 -24.8742 51.884 -24.8742 26.7256 14.516 51.8841 14.516 16.0672 GPRESSAVG: 458400 -29.2512 -24.509 50.7013 -25.9128 27.3523 15.9058 51.7516 14.4368 15.7131 TIMING: 458400 CPU: 1428.93, 0.00311335/step Wall: 1428.93, 0.00311335/step, 3.92766 hours remaining, 233.734375 MB of memory in use. ENERGY: 458400 4012.5969 20406.9168 14520.6809 240.7577 -203661.7922 3096.1547 0.0000 0.0000 52116.9808 -109267.7045 299.5170 -161384.6853 -108908.4836 298.8809 -162.5223 -132.2932 764245.7407 4.6125 4.6048 PRESSURE: 458600 -232.642 -89.6048 13.4477 -89.605 -263.987 -172.827 13.4476 -172.828 -250.001 GPRESSURE: 458600 -267.054 -20.5561 -17.4285 -130.748 -188.675 -148.366 -54.3336 -26.6758 -209.956 PRESSAVG: 458600 -1.66519 -20.2346 19.0075 -20.2346 7.50616 -3.77955 19.0075 -3.77962 4.33157 GPRESSAVG: 458600 -2.74099 -22.2117 20.1912 -18.9515 7.31552 -3.98082 20.3339 -5.19636 5.30967 TIMING: 458600 CPU: 1429.56, 0.0031099/step Wall: 1429.56, 0.0031099/step, 3.92314 hours remaining, 233.734375 MB of memory in use. ENERGY: 458600 4082.1430 20432.0521 14506.6018 260.7421 -203309.7198 2599.2871 0.0000 0.0000 52186.4640 -109242.4297 299.9163 -161428.8938 -108874.5817 299.5910 -248.8767 -221.8947 764545.2391 3.3908 3.2947 PRESSURE: 458800 227.356 -20.8724 -80.1646 -20.8718 392.382 68.8074 -80.1652 68.8078 198.422 GPRESSURE: 458800 334.132 18.5265 -149.687 137.861 372.2 122.306 -156.348 107.033 186.126 PRESSAVG: 458800 32.3586 5.52375 -47.9919 5.52373 -13.3545 -0.0871487 -47.992 -0.087213 -17.2298 GPRESSAVG: 458800 32.873 9.3373 -48.1046 4.12943 -13.3452 -0.709427 -48.7147 1.23565 -18.0278 TIMING: 458800 CPU: 1430.18, 0.00311131/step Wall: 1430.18, 0.00311131/step, 3.92474 hours remaining, 233.734375 MB of memory in use. ENERGY: 458800 4047.5432 20412.1613 14555.8720 239.7589 -203740.2774 3196.1560 0.0000 0.0000 51942.0757 -109346.7104 298.5118 -161288.7861 -108984.5418 299.4776 272.7201 297.4859 763095.3710 0.5915 0.5000 PRESSURE: 459000 51.6169 57.7756 19.7967 57.7755 110.646 -88.3245 19.7978 -88.3247 -391.932 GPRESSURE: 459000 115.956 55.0977 18.1964 33.8168 111.387 -11.5195 48.9705 -102.938 -363.992 PRESSAVG: 459000 31.2431 18.4327 -37.6927 18.4328 -32.6655 31.1711 -37.6927 31.1712 -3.56305 GPRESSAVG: 459000 30.8185 16.7017 -38.0933 20.1434 -32.3978 30.6541 -38.3165 30.0161 -3.01029 TIMING: 459000 CPU: 1430.8, 0.00310752/step Wall: 1430.8, 0.00310752/step, 3.9198 hours remaining, 233.734375 MB of memory in use. ENERGY: 459000 4031.5785 20272.0603 14457.4746 252.5193 -203028.3976 2485.5555 0.0000 0.0000 51929.2882 -109599.9213 298.4383 -161529.2095 -109235.2955 298.8066 -76.5561 -45.5496 763683.8074 -1.6618 -1.5299 PRESSURE: 459200 172.459 199.47 -4.86762 199.468 -268.226 -89.366 -4.86678 -89.367 65.8859 GPRESSURE: 459200 277.613 180.95 0.35287 143.67 -303.671 -56.0741 -96.3675 -99.343 81.3856 PRESSAVG: 459200 10.8074 -48.7386 -29.7545 -48.7386 -23.9111 6.82905 -29.7545 6.82903 9.00887 GPRESSAVG: 459200 11.6229 -50.1887 -30.6864 -48.0983 -24.3189 8.03767 -28.7147 5.98343 8.73153 TIMING: 459200 CPU: 1431.42, 0.00310411/step Wall: 1431.42, 0.00310411/step, 3.91531 hours remaining, 233.734375 MB of memory in use. ENERGY: 459200 3982.6512 20398.1063 14465.7510 246.5077 -203329.3724 2748.5868 0.0000 0.0000 51927.1420 -109560.6274 298.4260 -161487.7694 -109198.4208 298.1213 -9.9605 18.4427 763448.2732 -1.3649 -1.3215 PRESSURE: 459400 268.752 -186.432 11.0034 -186.431 220.796 -170.985 11.0037 -170.985 53.5522 GPRESSURE: 459400 256.176 -185.254 68.5418 -86.2178 289.77 -241.697 13.5355 -231.834 91.8972 PRESSAVG: 459400 68.9456 34.3323 9.4499 34.3323 -66.0618 -19.734 9.44991 -19.7339 2.58563 GPRESSAVG: 459400 69.7324 37.2443 10.2118 32.6061 -66.4045 -21.6097 9.35802 -18.3077 2.17126 TIMING: 459400 CPU: 1432.04, 0.00311044/step Wall: 1432.04, 0.00311044/step, 3.92313 hours remaining, 233.734375 MB of memory in use. ENERGY: 459400 4013.8365 20521.4546 14458.3182 232.4860 -203958.2823 3306.4477 0.0000 0.0000 51970.0960 -109455.6433 298.6729 -161425.7393 -109096.4499 298.3224 181.0333 212.6144 764564.8832 1.8231 1.8330 PRESSURE: 459600 36.2132 73.9624 276.958 73.9632 92.0292 -4.76963 276.958 -4.76949 -85.9143 GPRESSURE: 459600 32.6089 69.5185 203.319 18.9938 145.568 71.6004 190.785 137.278 -65.1975 PRESSAVG: 459600 38.2858 -32.5349 7.95106 -32.5349 -16.456 -26.9109 7.95105 -26.9109 30.9114 GPRESSAVG: 459600 37.994 -33.9954 8.82314 -32.8656 -15.2916 -25.4196 6.61715 -26.926 30.5456 TIMING: 459600 CPU: 1432.67, 0.00311091/step Wall: 1432.67, 0.00311091/step, 3.92355 hours remaining, 233.734375 MB of memory in use. ENERGY: 459600 3942.4005 20508.6218 14540.0451 237.3182 -203469.9596 3017.5574 0.0000 0.0000 51921.4288 -109302.5879 298.3932 -161224.0167 -108937.6000 298.5068 14.1094 37.6596 765677.0665 17.5804 17.7493 PRESSURE: 459800 -153.675 46.5515 80.0352 46.5513 160.255 -66.9195 80.0347 -66.9213 416.621 GPRESSURE: 459800 -66.9487 118.019 52.2563 116.068 148.997 -47.6924 18.9731 -156.098 421.093 PRESSAVG: 459800 21.1547 -8.82633 -27.8833 -8.82639 11.6028 -1.99099 -27.8832 -1.99096 15.7886 GPRESSAVG: 459800 21.5522 -10.5617 -28.7165 -6.8536 10.3454 -0.923324 -27.2228 -0.851031 16.4416 TIMING: 459800 CPU: 1433.29, 0.00312141/step Wall: 1433.29, 0.00312141/step, 3.93662 hours remaining, 233.734375 MB of memory in use. ENERGY: 459800 4006.1024 20445.6431 14504.5175 252.1143 -203392.9870 3157.0486 0.0000 0.0000 51781.6997 -109245.8614 297.5901 -161027.5611 -108885.1046 298.5329 141.0668 167.7138 763956.1753 16.1820 16.1130 PRESSURE: 460000 108.392 81.6294 2.78399 81.6288 -21.207 23.5169 2.7844 23.5165 212.098 GPRESSURE: 460000 228.441 42.9756 -47.5693 108.684 -90.857 -46.7247 43.6172 74.0987 248.626 PRESSAVG: 460000 -13.8654 6.71263 37.362 6.71264 4.21402 -50.8177 37.362 -50.8177 -11.3238 GPRESSAVG: 460000 -14.7908 7.91922 37.3349 3.76152 4.70282 -52.0438 36.4698 -51.286 -11.0734 TIMING: 460000 CPU: 1433.92, 0.00312982/step Wall: 1433.92, 0.00312982/step, 3.94705 hours remaining, 233.734375 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: 460000 3933.0947 20510.7857 14446.7644 257.5436 -203449.1815 2807.4131 0.0000 0.0000 52181.1696 -109312.4104 299.8859 -161493.5800 -108943.9431 298.3827 99.7610 128.7364 763745.9563 -6.9917 -7.0538 PRESSURE: 460200 42.5912 84.8889 48.7494 84.889 356.958 83.8065 48.7495 83.8059 219.26 GPRESSURE: 460200 34.8809 10.8679 19.4689 83.0057 405.317 45.5208 102.015 88.03 248.401 PRESSAVG: 460200 -31.1103 -1.31826 -18.1099 -1.31826 35.5986 -44.4245 -18.1099 -44.4244 22.7723 GPRESSAVG: 460200 -32.6386 -0.698142 -17.4359 0.0905851 37.0296 -44.0404 -18.0643 -45.3038 22.2406 TIMING: 460200 CPU: 1434.54, 0.00312442/step Wall: 1434.54, 0.00312442/step, 3.94007 hours remaining, 233.734375 MB of memory in use. ENERGY: 460200 3986.1983 20623.0438 14374.8466 247.5925 -203613.3323 3064.1743 0.0000 0.0000 51866.6637 -109450.8131 298.0784 -161317.4767 -109103.7422 298.4007 206.2697 229.5329 763506.4704 9.0869 8.8772 LDB: ============= START OF LOAD BALANCING ============== 1447.02 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1447.02 LDB: =============== DONE WITH MIGRATION ================ 1447.02 LDB: ============= START OF LOAD BALANCING ============== 1447.34 LDB: Largest compute 7052 load 0.031332 is 16.1% of average load 0.194919 LDB: Average compute 0.004343 is 2.2% of average load 0.194919 LDB: TIME 1447.34 LOAD: AVG 0.194919 MAX 0.21434 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.734 MB LDB: TIME 1447.34 LOAD: AVG 0.194919 MAX 0.21434 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.734 MB LDB: TIME 1447.34 LOAD: AVG 0.194919 MAX 0.21434 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.734 MB LDB: ============== END OF LOAD BALANCING =============== 1447.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 1447.35 Info: useSync: 0 useProxySync: 0 PRESSURE: 460400 -164.12 -203.684 231.55 -203.684 -334.473 35.0192 231.551 35.0193 116.074 GPRESSURE: 460400 -158.265 -133.814 219.509 -146.579 -293.29 -10.2652 151.257 107.024 153.021 PRESSAVG: 460400 15.0147 -54.6529 9.70553 -54.6529 2.05838 1.29054 9.70551 1.2905 -6.43664 GPRESSAVG: 460400 16.3557 -54.5354 10.0531 -53.9986 1.09439 -2.17707 11.8238 2.17497 -6.38151 TIMING: 460400 CPU: 1435.18, 0.00320053/step Wall: 1435.18, 0.00320053/step, 4.03587 hours remaining, 233.531250 MB of memory in use. ENERGY: 460400 3996.4968 20530.2152 14439.5042 256.5289 -203266.7653 2926.4648 0.0000 0.0000 51814.7257 -109302.8296 297.7799 -161117.5553 -108944.1341 298.8636 -127.5065 -99.5112 763489.2277 3.5455 3.6895 PRESSURE: 460600 -33.8287 -42.348 61.3396 -42.3474 386.999 80.3859 61.3389 80.3869 -102.456 GPRESSURE: 460600 -60.9618 -36.3845 121.196 -93.3638 434.183 175.833 249.318 145.72 -37.344 PRESSAVG: 460600 18.8614 31.9849 -5.37836 31.985 -29.8847 6.51961 -5.37833 6.51964 4.19731 GPRESSAVG: 460600 18.2563 32.7971 -6.63309 31.019 -30.4672 9.34912 -7.64097 4.71244 5.04127 TIMING: 460600 CPU: 1435.8, 0.00311016/step Wall: 1435.8, 0.00311016/step, 3.92174 hours remaining, 233.734375 MB of memory in use. ENERGY: 460600 3977.2100 20661.5806 14423.0197 265.3690 -203441.3376 2891.2017 0.0000 0.0000 51965.0274 -109257.9292 298.6437 -161222.9566 -108893.9313 298.8554 83.5716 111.9592 763238.8080 -2.2753 -2.3899 PRESSURE: 460800 34.1748 -5.62719 -33.5407 -5.62722 -137.56 4.07575 -33.5409 4.07485 98.2214 GPRESSURE: 460800 56.346 33.5908 -120.171 -160.546 -0.677726 50.2443 -137.05 -55.1476 44.3617 PRESSAVG: 460800 -12.7779 -15.5315 2.8907 -15.5316 24.5592 -17.0887 2.89065 -17.0886 5.22319 GPRESSAVG: 460800 -12.3242 -18.1987 3.77433 -15.0945 25.076 -18.2316 4.59034 -16.7418 4.52773 TIMING: 460800 CPU: 1436.43, 0.00311608/step Wall: 1436.43, 0.00311608/step, 3.92903 hours remaining, 233.734375 MB of memory in use. ENERGY: 460800 4011.6044 20520.0553 14447.2755 271.1189 -203472.3252 3251.0673 0.0000 0.0000 51892.3033 -109078.9005 298.2258 -160971.2038 -108714.0481 298.9610 -1.7212 33.3433 766055.9508 5.6682 5.7598 PRESSURE: 461000 -10.8128 299.605 -63.9241 299.604 177.735 255.656 -63.9233 255.656 367.218 GPRESSURE: 461000 93.6241 91.3513 7.33257 279.893 125.85 267.573 -29.0841 274.229 398.541 PRESSAVG: 461000 -47.2717 -45.8689 26.3448 -45.8689 43.1254 -17.4686 26.3448 -17.4687 14.4897 GPRESSAVG: 461000 -48.7608 -43.6283 27.6927 -46.5965 44.0963 -14.9016 24.906 -18.7941 15.3522 TIMING: 461000 CPU: 1437.05, 0.00312178/step Wall: 1437.05, 0.00312178/step, 3.93604 hours remaining, 233.734375 MB of memory in use. ENERGY: 461000 4006.8649 20355.1361 14445.1756 265.7050 -203479.6194 3108.6430 0.0000 0.0000 52095.1748 -109202.9200 299.3917 -161298.0947 -108840.8610 299.1650 178.0468 206.0053 764601.9623 3.4478 3.5625 PRESSURE: 461200 7.64644 -46.0975 -112.448 -46.0977 172.981 0.168724 -112.448 0.167923 -357.121 GPRESSURE: 461200 89.2597 15.7688 -168.623 -73.9442 191.336 -11.1883 -3.18596 -3.72831 -366.162 PRESSAVG: 461200 -34.8311 -29.5448 11.5248 -29.5448 58.8499 -4.74288 11.5249 -4.74292 12.8047 GPRESSAVG: 461200 -32.4951 -29.8508 11.0912 -29.0617 57.5938 -7.26658 12.7215 -2.63696 12.0777 TIMING: 461200 CPU: 1437.68, 0.00312715/step Wall: 1437.68, 0.00312715/step, 3.94264 hours remaining, 233.734375 MB of memory in use. ENERGY: 461200 3943.1611 20457.6274 14447.1163 228.9519 -203126.9751 2828.8897 0.0000 0.0000 52161.8745 -109059.3541 299.7750 -161221.2287 -108697.9631 299.5588 -58.8312 -28.5221 764251.1614 12.2745 12.3921 PRESSURE: 461400 120.012 9.03194 41.9298 9.03159 -339.453 17.4319 41.9303 17.4323 -206.19 GPRESSURE: 461400 120.446 -116.902 38.7434 15.0326 -244.255 48.321 -84.2518 -45.7136 -192.619 PRESSAVG: 461400 -10.0726 47.0569 -56.0257 47.0569 48.3839 -67.2612 -56.0257 -67.2613 -15.0829 GPRESSAVG: 461400 -11.7411 47.7629 -56.1451 45.9532 49.5818 -67.5205 -59.3852 -67.3999 -14.3494 TIMING: 461400 CPU: 1438.3, 0.00312891/step Wall: 1438.3, 0.00312891/step, 3.94469 hours remaining, 233.734375 MB of memory in use. ENERGY: 461400 3983.1520 20454.8613 14432.3958 236.8068 -202890.5923 2650.3032 0.0000 0.0000 52248.8780 -108884.1952 300.2750 -161133.0732 -108511.9931 299.1787 -141.8770 -105.4762 764775.3356 7.7428 7.8304 PRESSURE: 461600 -145.247 -173.908 35.8951 -173.909 306.229 161.412 35.8961 161.413 -77.1307 GPRESSURE: 461600 -156.342 -138.806 56.0636 -149.027 311.904 122.74 -70.1157 149.684 -2.64981 PRESSAVG: 461600 24.243 34.0403 27.4333 34.0403 -5.98159 -7.91904 27.4333 -7.91901 9.40248 GPRESSAVG: 461600 25.0481 32.7833 27.4665 34.6071 -5.69708 -7.46965 29.7759 -9.90704 8.15697 TIMING: 461600 CPU: 1438.92, 0.0031094/step Wall: 1438.92, 0.0031094/step, 3.91992 hours remaining, 233.734375 MB of memory in use. ENERGY: 461600 3918.5042 20579.7231 14429.9606 259.0532 -203089.5244 2883.2744 0.0000 0.0000 52154.5528 -108864.4560 299.7329 -161019.0088 -108499.1589 299.2744 27.9505 50.9705 764902.3997 9.2213 9.1693 PRESSURE: 461800 -68.3411 74.9172 -20.825 74.9175 175.11 -143.344 -20.8252 -143.344 -33.2095 GPRESSURE: 461800 -5.07 117.205 -18.302 15.2964 223.824 -195.628 -161.673 -105.726 -66.3896 PRESSAVG: 461800 -21.1388 50.0069 -52.866 50.0069 41.6128 -0.360875 -52.866 -0.36092 -7.82044 GPRESSAVG: 461800 -21.3747 50.8998 -53.611 50.9232 41.7897 -0.478454 -52.961 -0.291603 -8.49509 TIMING: 461800 CPU: 1439.55, 0.00312227/step Wall: 1439.55, 0.00312227/step, 3.93597 hours remaining, 233.734375 MB of memory in use. ENERGY: 461800 4069.7740 20544.8074 14418.8817 247.7661 -203370.7460 3084.6589 0.0000 0.0000 52160.2391 -108844.6188 299.7656 -161004.8579 -108499.8690 299.6896 24.5197 50.7882 763962.1349 4.2179 3.9733 PRESSURE: 462000 73.6002 -64.4389 -273.472 -64.4389 -191.152 -69.3426 -273.473 -69.3434 166.158 GPRESSURE: 462000 56.2334 -6.9712 -155.212 -111.599 -78.0949 -83.3954 -280.41 -51.7342 171.649 PRESSAVG: 462000 -8.03329 -26.9535 -57.263 -26.9535 -5.516 22.2719 -57.263 22.272 -2.1987 GPRESSAVG: 462000 -8.01631 -30.2814 -56.4049 -26.9518 -6.36802 23.9985 -57.4863 22.0168 -0.894752 TIMING: 462000 CPU: 1440.17, 0.00311137/step Wall: 1440.17, 0.00311137/step, 3.92205 hours remaining, 233.734375 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: 462000 4056.4644 20504.9356 14428.5861 257.2728 -202901.1835 2891.8568 0.0000 0.0000 51993.4824 -108768.5854 298.8073 -160762.0677 -108406.8525 299.6966 16.2019 49.9290 765621.2839 -5.2493 -5.0930 PRESSURE: 462200 -272.458 77.0711 -81.6335 77.0709 -108.038 -181.569 -81.6329 -181.569 256.68 GPRESSURE: 462200 -168.522 35.1158 -91.5383 153.606 -113.876 -149.878 -173.884 -274.194 239.982 PRESSAVG: 462200 -50.5824 -30.1299 -8.40587 -30.1299 5.47885 -1.23222 -8.40591 -1.23222 9.09077 GPRESSAVG: 462200 -49.7846 -29.7922 -9.8501 -28.6112 5.59418 -1.38347 -7.9907 -2.05768 8.12445 TIMING: 462200 CPU: 1440.79, 0.00310396/step Wall: 1440.79, 0.00310396/step, 3.91255 hours remaining, 233.734375 MB of memory in use. ENERGY: 462200 4023.5777 20416.9269 14391.0590 232.1978 -203158.0571 2953.2533 0.0000 0.0000 52241.7488 -108899.2936 300.2340 -161141.0424 -108527.6754 299.3273 -41.2718 -14.1386 765361.4164 -12.0043 -12.0220 PRESSURE: 462400 160.545 350.527 15.8154 350.528 162.91 -33.5414 15.816 -33.5409 -51.2756 GPRESSURE: 462400 162.931 256.199 -4.50805 128.142 192.337 -100.022 80.004 1.77846 -15.7638 PRESSAVG: 462400 -15.2678 15.4948 -81.9093 15.4948 -8.2599 -3.02257 -81.9093 -3.02249 7.10794 GPRESSAVG: 462400 -15.9544 15.4799 -81.6027 13.2158 -8.65903 -3.38371 -81.2498 -0.293296 7.78147 TIMING: 462400 CPU: 1441.41, 0.00311117/step Wall: 1441.41, 0.00311117/step, 3.92146 hours remaining, 233.734375 MB of memory in use. ENERGY: 462400 4038.2622 20438.8404 14506.7178 225.2240 -202827.8270 2906.9605 0.0000 0.0000 51780.0723 -108931.7498 297.5808 -160711.8221 -108569.6251 298.9582 90.7266 113.1681 765697.9998 -5.4733 -5.6106 PRESSURE: 462600 51.6913 -131.972 -81.6177 -131.972 -270.609 199.881 -81.6175 199.88 -82.5205 GPRESSURE: 462600 44.1229 -213.42 -108.576 -132.118 -231.206 186.439 -129.786 100.218 -50.2175 PRESSAVG: 462600 41.2649 4.24659 9.68078 4.24662 -19.7121 -2.2389 9.68075 -2.23887 -11.7697 GPRESSAVG: 462600 40.5784 5.31034 9.58074 5.59393 -18.8895 -2.25965 9.38457 -2.91167 -12 TIMING: 462600 CPU: 1442.03, 0.00310123/step Wall: 1442.03, 0.00310123/step, 3.90875 hours remaining, 233.734375 MB of memory in use. ENERGY: 462600 3982.9677 20506.7250 14477.7573 246.5215 -202903.9434 2812.3507 0.0000 0.0000 51911.9550 -108965.6663 298.3387 -160877.6213 -108603.4316 299.0614 -100.4794 -79.1001 765124.3455 3.2611 3.2297 PRESSURE: 462800 -48.6386 -325.013 8.94177 -325.014 -169.863 42.8825 8.94127 42.8827 -114.031 GPRESSURE: 462800 -13.3215 -242.572 56.155 -230.928 -70.06 37.975 -151.629 28.0813 -170.223 PRESSAVG: 462800 72.0225 -68.942 -41.4467 -68.9421 21.1897 27.1163 -41.4468 27.1164 16.5549 GPRESSAVG: 462800 72.0276 -67.8061 -39.8289 -70.1063 20.3661 27.2021 -44.0642 26.1614 17.1127 TIMING: 462800 CPU: 1442.66, 0.00312802/step Wall: 1442.66, 0.00312802/step, 3.94235 hours remaining, 233.734375 MB of memory in use. ENERGY: 462800 3928.7949 20478.9695 14493.8363 248.7902 -202921.2816 2809.9028 0.0000 0.0000 51913.3126 -109047.6754 298.3465 -160960.9879 -108684.8866 299.3514 -110.8444 -84.5349 763943.3076 36.5890 36.5021 PRESSURE: 463000 64.919 209.061 -30.2294 209.061 229.283 52.9009 -30.2293 52.9002 -68.1168 GPRESSURE: 463000 178.456 108.09 -78.5764 200.418 139.01 176.595 38.5085 17.39 12.0641 PRESSAVG: 463000 18.1276 -25.1997 -30.7713 -25.1996 -25.7225 30.6478 -30.7713 30.6478 23.4095 GPRESSAVG: 463000 19.1333 -26.8914 -32.8076 -22.6505 -25.6272 29.4425 -27.8558 31.8515 22.3109 TIMING: 463000 CPU: 1443.28, 0.00310317/step Wall: 1443.28, 0.00310317/step, 3.91086 hours remaining, 233.734375 MB of memory in use. ENERGY: 463000 3985.6076 20334.0541 14502.8358 254.5218 -202639.0725 2824.0638 0.0000 0.0000 51816.6288 -108921.3606 297.7909 -160737.9894 -108560.5165 299.1038 75.3616 109.8434 764839.7310 5.2716 5.2723 PRESSURE: 463200 -375.87 309.598 -233.48 309.598 82.4219 103.006 -233.481 103.006 -131.191 GPRESSURE: 463200 -297.845 215.583 -214.255 290.645 147.554 156.874 -237.385 74.4029 -184.793 PRESSAVG: 463200 11.0497 -16.6537 -18.3003 -16.6537 -7.75638 36.6224 -18.3003 36.6224 -0.95925 GPRESSAVG: 463200 9.89119 -14.5631 -15.8556 -18.0659 -7.31784 39.0689 -20.1889 34.0902 -0.644021 TIMING: 463200 CPU: 1443.9, 0.00310597/step Wall: 1443.9, 0.00310597/step, 3.91421 hours remaining, 233.734375 MB of memory in use. ENERGY: 463200 3980.7582 20265.8451 14479.8241 260.5058 -203070.1710 2833.8578 0.0000 0.0000 52156.0927 -109093.2873 299.7418 -161249.3800 -108720.8103 298.7154 -141.5462 -111.6947 766251.0342 0.7780 0.6431 PRESSURE: 463400 -184.485 -239.852 61.1125 -239.852 116.515 147.16 61.1128 147.16 32.8036 GPRESSURE: 463400 -77.9685 -181.517 17.4962 -206.515 129.058 175.041 82.1905 189.157 -0.309965 PRESSAVG: 463400 13.5927 33.3762 -56.8239 33.3762 -2.81896 -30.155 -56.8238 -30.155 7.70753 GPRESSAVG: 463400 14.494 33.0713 -56.7938 32.521 -4.01213 -30.7623 -57.1049 -30.2732 8.18292 TIMING: 463400 CPU: 1444.52, 0.00310738/step Wall: 1444.52, 0.00310738/step, 3.91582 hours remaining, 233.734375 MB of memory in use. ENERGY: 463400 4086.8744 20572.1219 14428.9980 255.4647 -203106.1692 2831.5147 0.0000 0.0000 51879.8321 -109051.3634 298.1541 -160931.1955 -108688.7719 299.0184 -11.7221 16.9267 765057.8974 6.1604 6.2216 PRESSURE: 463600 88.8352 71.7401 135.359 71.7401 86.6944 -18.4916 135.36 -18.4908 -213.143 GPRESSURE: 463600 73.4787 68.3388 123.39 156.857 188.02 -49.0891 212.696 37.3745 -217.131 PRESSAVG: 463600 -7.19386 -17.6413 -10.5975 -17.6413 54.5271 8.31255 -10.5974 8.3126 -7.68363 GPRESSAVG: 463600 -7.88873 -18.0459 -11.5132 -17.7167 54.6137 6.00694 -8.46797 10.8177 -7.2689 TIMING: 463600 CPU: 1445.14, 0.00310768/step Wall: 1445.14, 0.00310768/step, 3.91602 hours remaining, 233.734375 MB of memory in use. ENERGY: 463600 4032.3184 20603.3927 14437.7434 247.6717 -203329.2871 2961.7048 0.0000 0.0000 51906.9570 -109139.4992 298.3100 -161046.4562 -108767.6930 299.0698 -12.5379 14.7892 764197.5782 13.2165 13.1520 PRESSURE: 463800 -61.9988 130.477 242.683 130.477 -132.785 -178.932 242.683 -178.931 276.939 GPRESSURE: 463800 26.3547 183.1 258.637 2.7927 -91.016 -74.8403 162.874 -204.285 229.577 PRESSAVG: 463800 -71.5856 26.1419 79.1699 26.1419 35.5847 52.3142 79.17 52.3143 4.73487 GPRESSAVG: 463800 -71.9868 26.2047 79.2742 27.4934 35.9244 55.1309 75.8967 49.3271 4.80061 TIMING: 463800 CPU: 1445.77, 0.00312244/step Wall: 1445.77, 0.00312244/step, 3.93444 hours remaining, 233.734375 MB of memory in use. ENERGY: 463800 4008.7052 20594.8283 14467.4438 234.1275 -203347.4643 2926.7975 0.0000 0.0000 51893.9558 -109221.6062 298.2353 -161115.5620 -108865.0456 298.9286 27.3851 54.9719 762903.0570 -10.4220 -10.4206 PRESSURE: 464000 206.275 1.94381 -82.3374 1.94406 205.745 -64.7182 -82.3375 -64.7178 28.9813 GPRESSURE: 464000 182.648 -18.3157 -92.027 23.4351 251.475 14.2178 62.685 -53.8577 106.573 PRESSAVG: 464000 -4.8945 -21.7279 1.0435 -21.7279 13.398 26.3807 1.04351 26.3808 -2.01061 GPRESSAVG: 464000 -5.94969 -21.1686 1.81365 -24.6354 14.4116 26.3073 2.33578 27.3273 -2.06655 TIMING: 464000 CPU: 1446.39, 0.00312165/step Wall: 1446.39, 0.00312165/step, 3.93328 hours remaining, 233.734375 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: 464000 4016.5769 20534.8488 14484.5075 236.8587 -203230.7340 2753.0207 0.0000 0.0000 51940.2539 -109264.6674 298.5014 -161204.9214 -108910.3104 298.4925 147.0005 180.2323 763602.7692 2.1643 2.1318 PRESSURE: 464200 14.1512 -267.326 110.503 -267.326 622.081 135.549 110.502 135.548 242.787 GPRESSURE: 464200 143.511 -338.508 65.8463 -173 534.095 165.137 56.2265 129.697 269.547 PRESSAVG: 464200 -3.24624 -13.8751 36.3907 -13.8751 -21.611 -16.0166 36.3907 -16.0167 12.506 GPRESSAVG: 464200 -2.03952 -14.5041 35.8405 -10.7972 -22.988 -16.8164 36.6377 -15.4686 12.17 TIMING: 464200 CPU: 1447.01, 0.00310496/step Wall: 1447.01, 0.00310496/step, 3.91208 hours remaining, 233.734375 MB of memory in use. ENERGY: 464200 4006.4474 20603.4066 14425.7312 220.2696 -203806.0485 3286.7003 0.0000 0.0000 52044.4286 -109219.0648 299.1000 -161263.4934 -108862.1615 298.9692 293.0063 315.7177 763734.7439 -4.1171 -4.2858 LDB: ============= START OF LOAD BALANCING ============== 1459.49 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1459.49 LDB: =============== DONE WITH MIGRATION ================ 1459.49 LDB: ============= START OF LOAD BALANCING ============== 1459.8 LDB: Largest compute 7052 load 0.032871 is 16.9% of average load 0.194847 LDB: Average compute 0.004376 is 2.2% of average load 0.194847 LDB: TIME 1459.81 LOAD: AVG 0.194847 MAX 0.21699 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.812 MB LDB: TIME 1459.81 LOAD: AVG 0.194847 MAX 0.21699 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.879 MB LDB: TIME 1459.81 LOAD: AVG 0.194847 MAX 0.21699 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.879 MB LDB: ============== END OF LOAD BALANCING =============== 1459.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1459.81 PRESSURE: 464400 -201.919 254.162 30.21 254.162 -94.7405 62.102 30.2102 62.1018 -349.011 GPRESSURE: 464400 -269.16 199.701 65.6181 140.103 -32.2123 119.345 41.6657 24.2426 -272.664 PRESSAVG: 464400 39.0747 -2.66662 -20.3294 -2.66657 -3.66976 39.9466 -20.3294 39.9465 -37.6965 GPRESSAVG: 464400 38.5767 -4.11431 -20.8065 -3.44816 -3.57927 39.1462 -18.575 37.6136 -37.6188 TIMING: 464400 CPU: 1447.65, 0.00317573/step Wall: 1447.65, 0.00317573/step, 4.00106 hours remaining, 234.304688 MB of memory in use. ENERGY: 464400 3982.5427 20559.6830 14451.3178 243.8807 -203124.4586 2865.4311 0.0000 0.0000 51765.6015 -109256.0018 297.4976 -161021.6033 -108895.2516 298.9721 -215.2236 -191.3455 764273.0136 -0.7639 -0.8738 PRESSURE: 464600 98.194 -142.871 67.3197 -142.871 23.5572 -74.9624 67.3199 -74.9621 325.244 GPRESSURE: 464600 217.552 -57.4602 76.1074 -195.746 -24.7569 -100.99 41.2779 62.4132 342.058 PRESSAVG: 464600 13.228 11.9832 -49.9827 11.9832 10.8497 23.9227 -49.9827 23.9227 16.0753 GPRESSAVG: 464600 13.2383 12.6646 -50.7161 11.839 11.2449 23.1673 -51.8504 27.2489 15.5492 TIMING: 464600 CPU: 1448.27, 0.00311206/step Wall: 1448.27, 0.00311206/step, 3.92067 hours remaining, 234.304688 MB of memory in use. ENERGY: 464600 4051.2823 20364.6731 14382.3430 249.9442 -203602.0667 3110.6176 0.0000 0.0000 52136.9024 -109306.3041 299.6315 -161443.2065 -108948.4134 298.8152 148.9984 178.2844 764594.5317 13.3843 13.3441 PRESSURE: 464800 -78.8929 -117.701 28.9869 -117.701 -3.24296 -32.4776 28.9865 -32.4789 -19.3975 GPRESSURE: 464800 -64.2047 -97.2214 47.4729 -18.6913 48.3911 10.4509 19.2765 -92.6982 10.5906 PRESSAVG: 464800 58.2082 27.0224 5.52107 27.0224 -34.8024 39.309 5.5211 39.309 6.11808 GPRESSAVG: 464800 58.1296 27.386 5.65361 29.2629 -34.3111 39.8912 8.21422 37.4899 5.98353 TIMING: 464800 CPU: 1448.89, 0.00310473/step Wall: 1448.89, 0.00310473/step, 3.91128 hours remaining, 234.304688 MB of memory in use. ENERGY: 464800 3932.9592 20346.3510 14462.9764 255.8769 -202864.1431 2665.9188 0.0000 0.0000 51916.2738 -109283.7871 298.3635 -161200.0609 -108920.9645 298.7649 -33.8445 -1.7410 765298.1642 9.8413 9.9340 PRESSURE: 465000 -32.9698 278.256 -143.046 278.255 179.418 -192.844 -143.047 -192.844 359.221 GPRESSURE: 465000 7.14688 248.68 -135.614 281.637 176.255 -164.526 -37.3686 -149.999 389.667 PRESSAVG: 465000 54.2008 19.4202 -7.96787 19.4203 -38.5876 25.3753 -7.96786 25.3753 21.5793 GPRESSAVG: 465000 53.5054 20.4064 -6.38278 17.212 -38.6579 25.9118 -9.65272 24.8901 22.3373 TIMING: 465000 CPU: 1449.52, 0.00311409/step Wall: 1449.52, 0.00311409/step, 3.92288 hours remaining, 234.304688 MB of memory in use. ENERGY: 465000 3933.4493 20376.6885 14432.7959 226.0514 -203094.8289 2895.8137 0.0000 0.0000 51825.4234 -109404.6068 297.8414 -161230.0302 -109046.3293 298.8740 168.5566 191.0229 763836.3723 12.3975 12.3949 PRESSURE: 465200 161.773 -9.29726 -37.4099 -9.29773 68.8109 84.5679 -37.4093 84.568 236.121 GPRESSURE: 465200 312.593 -73.9008 -83.7254 -109.062 39.5979 119.514 85.4066 192.879 192.719 PRESSAVG: 465200 -20.642 22.1451 2.37756 22.1451 46.7786 7.93967 2.37757 7.93973 26.575 GPRESSAVG: 465200 -18.9582 20.2686 2.32943 22.6074 45.5733 8.10048 3.70111 8.69719 26.2809 TIMING: 465200 CPU: 1450.14, 0.00312173/step Wall: 1450.14, 0.00312173/step, 3.93233 hours remaining, 234.304688 MB of memory in use. ENERGY: 465200 3937.5996 20411.8122 14459.0431 246.1152 -203353.4273 2927.1716 0.0000 0.0000 51996.2412 -109375.4443 298.8231 -161371.6855 -109014.7074 298.4071 155.5681 181.6365 764142.8103 17.5705 17.6320 PRESSURE: 465400 -94.039 -206.551 102.229 -206.551 -192.942 29.6462 102.229 29.6461 51.5938 GPRESSURE: 465400 -34.9028 -104.772 91.9967 -177.845 -212.317 74.4098 11.6774 -44.5176 83.2398 PRESSAVG: 465400 -18.7174 -22.2705 29.3166 -22.2706 -9.98999 15.4119 29.3166 15.4119 2.9341 GPRESSAVG: 465400 -19.5302 -21.7033 28.9775 -23.9201 -10.3052 15.8777 27.8834 16.4304 4.1394 TIMING: 465400 CPU: 1450.76, 0.00311916/step Wall: 1450.76, 0.00311916/step, 3.92892 hours remaining, 234.304688 MB of memory in use. ENERGY: 465400 3994.2387 20454.0980 14391.4332 225.7884 -203069.4166 2756.8249 0.0000 0.0000 52036.1618 -109210.8716 299.0525 -161247.0334 -108853.0874 298.3340 -78.4624 -54.6601 763984.5370 -8.5911 -8.5654 PRESSURE: 465600 17.1574 157.891 -70.0706 157.892 -275.155 26.6299 -70.0705 26.631 -409.255 GPRESSURE: 465600 -3.17713 179.944 -144.725 186.748 -200.143 -48.8416 -54.2396 -85.0457 -390.603 PRESSAVG: 465600 69.956 -38.1854 -3.14447 -38.1855 -29.3826 1.03392 -3.14456 1.034 8.08827 GPRESSAVG: 465600 70.0479 -35.8035 -3.09606 -38.041 -29.6112 -0.075805 -1.91509 0.631008 8.74172 TIMING: 465600 CPU: 1451.39, 0.00311136/step Wall: 1451.39, 0.00311136/step, 3.91893 hours remaining, 234.304688 MB of memory in use. ENERGY: 465600 4085.1715 20523.3415 14463.4413 259.3960 -202910.3189 2517.0440 0.0000 0.0000 51897.3323 -109164.5924 298.2547 -161061.9247 -108803.9528 299.1135 -222.4173 -197.9742 763722.9492 16.2206 16.3928 PRESSURE: 465800 -62.3784 -19.9317 126.737 -19.9311 -67.4359 105.034 126.737 105.033 -196.363 GPRESSURE: 465800 49.144 -59.5561 268.809 -58.8553 -95.3309 128.383 51.4643 131.017 -212.918 PRESSAVG: 465800 2.95574 -42.8209 31.5126 -42.8209 14.7486 15.5141 31.5125 15.5141 -6.74196 GPRESSAVG: 465800 2.78041 -45.5714 31.0193 -41.2122 16.212 15.4348 32.3488 15.5754 -7.88012 TIMING: 465800 CPU: 1452.01, 0.00310668/step Wall: 1452.01, 0.00310668/step, 3.91287 hours remaining, 234.304688 MB of memory in use. ENERGY: 465800 3968.3133 20497.9276 14457.8769 253.0389 -203086.2018 2759.6238 0.0000 0.0000 52049.6426 -109099.7786 299.1300 -161149.4213 -108738.7538 298.3687 -108.7258 -86.3682 764173.7665 3.6541 3.7041 PRESSURE: 466000 -304.752 160.207 33.7146 160.207 -76.0411 -40.2384 33.7148 -40.239 -112.154 GPRESSURE: 466000 -257.374 183.393 172.465 245.227 -50.5942 -88.8087 -71.4204 -81.2714 -88.7257 PRESSAVG: 466000 3.75614 22.3896 12.1989 22.3896 -19.5811 -24.8912 12.1989 -24.8913 8.81733 GPRESSAVG: 466000 4.69498 23.9727 12.7668 20.5907 -19.697 -25.1534 11.6107 -25.0096 8.47513 TIMING: 466000 CPU: 1452.63, 0.0031283/step Wall: 1452.63, 0.0031283/step, 3.93992 hours remaining, 234.304688 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: 466000 4012.6462 20412.7539 14434.1437 250.1252 -202976.1341 2575.8297 0.0000 0.0000 52166.6521 -109123.9833 299.8025 -161290.6354 -108754.9072 298.5423 -164.3156 -132.2312 764130.8121 -2.3359 -2.1756 PRESSURE: 466200 -96.8125 20.0787 -37.8577 20.0802 249.218 26.7114 -37.857 26.7121 -223.518 GPRESSURE: 466200 -154.35 -73.7402 -85.9912 152.78 350.345 113.17 -87.3063 24.0111 -173.79 PRESSAVG: 466200 17.7816 -21.5019 -63.998 -21.5019 -9.35672 1.90308 -63.998 1.90312 22.6501 GPRESSAVG: 466200 17.9176 -24.2982 -64.3964 -19.6001 -9.47732 1.7621 -65.0788 2.25919 22.4524 TIMING: 466200 CPU: 1453.26, 0.00311296/step Wall: 1453.26, 0.00311296/step, 3.92043 hours remaining, 234.304688 MB of memory in use. ENERGY: 466200 3991.9707 20559.3185 14406.2840 243.1946 -203052.4375 2857.1714 0.0000 0.0000 51805.5828 -109188.9155 297.7274 -160994.4983 -108829.8302 298.8907 -23.7042 7.4017 764612.4102 10.3583 10.2976 PRESSURE: 466400 -56.6346 224.501 269.138 224.5 -243.72 -109.439 269.138 -109.438 -173.203 GPRESSURE: 466400 -79.5986 88.0063 200.801 272.531 -183.535 -128.797 394.394 -159.154 -123.049 PRESSAVG: 466400 48.0659 33.4067 23.7094 33.4068 -51.4972 15.712 23.7094 15.712 -7.79386 GPRESSAVG: 466400 47.2591 35.1905 24.0356 31.3598 -50.9088 16.5252 24.1885 14.302 -7.81875 TIMING: 466400 CPU: 1453.88, 0.00310937/step Wall: 1453.88, 0.00310937/step, 3.91573 hours remaining, 234.304688 MB of memory in use. ENERGY: 466400 4016.4477 20399.0945 14436.9057 247.5039 -203289.1352 2854.1014 0.0000 0.0000 51968.1842 -109366.8977 298.6619 -161335.0819 -108998.9488 298.5316 -157.8528 -128.7274 763948.2294 -3.7417 -3.8228 PRESSURE: 466600 1.8189 -20.7674 53.4301 -20.769 -165.621 98.7612 53.4292 98.7603 -12.2458 GPRESSURE: 466600 81.8142 -50.1829 32.6271 40.373 -99.7392 89.5952 -23.0975 205.8 -54.6544 PRESSAVG: 466600 5.26642 68.5096 -5.3392 68.5096 -21.1181 41.579 -5.33928 41.5789 -14.9373 GPRESSAVG: 466600 3.74593 69.1227 -3.49131 69.8929 -20.2217 40.9674 -6.22594 43.0339 -14.2086 TIMING: 466600 CPU: 1454.5, 0.00310458/step Wall: 1454.5, 0.00310458/step, 3.90953 hours remaining, 234.304688 MB of memory in use. ENERGY: 466600 4014.8956 20653.0136 14419.0415 261.8975 -203522.7535 2817.5836 0.0000 0.0000 52113.7398 -109242.5819 299.4984 -161356.3217 -108882.5487 298.6685 -58.6826 -24.1931 763192.3650 -10.2630 -10.2281 PRESSURE: 466800 147.718 -11.1132 -131.969 -11.1139 -137.81 -71.7363 -131.97 -71.7371 193.207 GPRESSURE: 466800 184.08 -79.8946 -130.232 37.3449 -186.493 -142.777 -135.005 -5.12666 292.612 PRESSAVG: 466800 47.3784 -24.7607 -11.3502 -24.7607 -37.5455 39.747 -11.3503 39.7469 3.67501 GPRESSAVG: 466800 49.4063 -25.862 -13.7111 -24.8226 -39.5472 38.4674 -10.1536 41.7513 3.86964 TIMING: 466800 CPU: 1455.12, 0.00310155/step Wall: 1455.12, 0.00310155/step, 3.90554 hours remaining, 234.304688 MB of memory in use. ENERGY: 466800 4048.9251 20664.3450 14394.1848 250.2524 -203514.6480 3108.5270 0.0000 0.0000 52012.7896 -109035.6242 298.9182 -161048.4138 -108684.6455 299.6169 67.7051 96.7330 763001.3815 4.5026 4.5762 PRESSURE: 467000 -260.717 136.211 44.1535 136.211 -317.683 -13.3869 44.1545 -13.3857 -97.8385 GPRESSURE: 467000 -318.618 107.578 82.1289 120.093 -192.26 -140.551 -9.14819 -60.32 -82.4697 PRESSAVG: 467000 34.2329 -9.80456 -21.8862 -9.80457 -43.4773 -9.36287 -21.8862 -9.36284 22.2602 GPRESSAVG: 467000 33.4085 -11.3253 -21.1753 -8.49005 -42.3616 -9.06544 -21.5767 -13.2638 22.16 TIMING: 467000 CPU: 1455.74, 0.00310484/step Wall: 1455.74, 0.00310484/step, 3.90951 hours remaining, 234.304688 MB of memory in use. ENERGY: 467000 3967.4819 20745.5906 14389.6814 239.7786 -202795.1752 2550.5604 0.0000 0.0000 51995.1731 -108906.9093 298.8170 -160902.0825 -108546.2333 299.6960 -225.4129 -197.7825 763998.0592 4.3386 4.4023 PRESSURE: 467200 11.7279 -369.388 42.4486 -369.388 -119.45 91.2284 42.4486 91.2285 -581.751 GPRESSURE: 467200 -11.2182 -377.893 104.141 -447.894 -45.8507 106.38 -18.5187 129.784 -527.605 PRESSAVG: 467200 13.8083 -58.6945 10.0577 -58.6945 -10.548 -11.3266 10.0576 -11.3267 13.8159 GPRESSAVG: 467200 14.6805 -55.7882 9.88455 -62.518 -10.2659 -11.6129 7.68876 -8.87098 13.1698 TIMING: 467200 CPU: 1456.36, 0.00310605/step Wall: 1456.36, 0.00310606/step, 3.91087 hours remaining, 234.304688 MB of memory in use. ENERGY: 467200 4012.8780 20609.6476 14430.0724 275.4239 -202900.1554 2620.0841 0.0000 0.0000 51971.3249 -108980.7246 298.6799 -160952.0494 -108621.6709 299.3946 -229.8246 -194.8914 765096.9901 5.6921 5.8614 PRESSURE: 467400 -137.868 35.5821 229.499 35.5818 -179.853 178.596 229.498 178.597 -456.963 GPRESSURE: 467400 -26.5043 96.566 125.754 91.5049 -263.978 131.558 333.619 175.366 -406.642 PRESSAVG: 467400 86.3455 25.7646 3.67072 25.7646 -59.1606 24.3572 3.67071 24.3573 -4.13047 GPRESSAVG: 467400 85.9308 23.4957 2.95101 26.0052 -60.6643 25.4953 3.84629 23.3152 -3.01142 TIMING: 467400 CPU: 1456.98, 0.00310423/step Wall: 1456.98, 0.00310423/step, 3.9084 hours remaining, 234.304688 MB of memory in use. ENERGY: 467400 4034.2521 20639.9538 14442.2030 230.5923 -202991.5150 2610.8631 0.0000 0.0000 52266.9139 -108766.7369 300.3787 -161033.6508 -108399.2739 299.5956 -258.2279 -232.3746 764153.3026 7.6848 7.4183 PRESSURE: 467600 29.9846 -157.695 183.658 -157.695 -173.394 8.47056 183.658 8.47046 -243.753 GPRESSURE: 467600 32.5325 -37.6534 218.965 -179.412 -88.8075 29.9297 120.11 76.4646 -256.692 PRESSAVG: 467600 37.7681 -10.1954 -9.73662 -10.1953 -51.3611 53.4799 -9.73661 53.4799 -10.7654 GPRESSAVG: 467600 38.3982 -9.14875 -9.88542 -8.0645 -50.8592 53.9192 -8.9184 53.5788 -11.3223 TIMING: 467600 CPU: 1457.61, 0.00312941/step Wall: 1457.61, 0.00312941/step, 3.93992 hours remaining, 234.304688 MB of memory in use. ENERGY: 467600 4043.3672 20524.0675 14458.3884 247.0329 -203139.3012 2787.7872 0.0000 0.0000 52399.5384 -108679.1195 301.1409 -161078.6579 -108317.6010 299.5624 -129.0540 -104.3225 765103.4932 -8.1195 -7.9278 PRESSURE: 467800 -54.3878 184.389 14.6461 184.389 270.243 -64.6478 14.646 -64.6474 54.6849 GPRESSURE: 467800 33.913 110.156 42.9184 186.48 247.007 -90.5873 -42.5118 -141 69.6086 PRESSAVG: 467800 37.0773 -13.6595 20.5563 -13.6595 -34.4179 50.3177 20.5562 50.3177 9.72655 GPRESSAVG: 467800 37.9466 -13.8201 21.6992 -15.4479 -35.182 51.1396 19.1905 50.1388 9.26406 TIMING: 467800 CPU: 1458.23, 0.00312191/step Wall: 1458.23, 0.00312191/step, 3.93031 hours remaining, 234.304688 MB of memory in use. ENERGY: 467800 3953.8435 20462.3961 14395.7127 250.3546 -202875.7633 2732.6551 0.0000 0.0000 52215.9935 -108864.8079 300.0860 -161080.8014 -108495.4081 299.2544 90.1802 116.8427 763123.9853 4.1287 4.0096 PRESSURE: 468000 -146.996 7.62486 -53.6459 7.625 90.7353 1.48124 -53.6462 1.48007 74.0028 GPRESSURE: 468000 -49.5552 -85.0036 22.3946 44.8489 117.24 12.0039 77.4715 -78.5234 17.1621 PRESSAVG: 468000 -51.3434 31.1629 -8.37107 31.163 79.4409 27.9913 -8.37106 27.9913 4.04722 GPRESSAVG: 468000 -52.5031 30.8092 -8.32443 30.1309 80.3434 26.33 -7.04559 27.9215 3.98014 TIMING: 468000 CPU: 1458.85, 0.00310977/step Wall: 1458.85, 0.00310977/step, 3.91485 hours remaining, 234.304688 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: 468000 4061.1887 20499.9243 14359.3791 245.0399 -202611.8198 2623.2457 0.0000 0.0000 51905.2232 -108917.8189 298.3000 -160823.0421 -108554.5379 299.1259 5.9142 28.2824 763213.6880 10.7149 10.6068 PRESSURE: 468200 -423.713 19.3351 -85.9581 19.3349 -333.751 112.728 -85.9578 112.728 -302.956 GPRESSURE: 468200 -344.048 -52.6955 -95.4357 103.797 -370.891 136.308 -16.7018 197.656 -256.878 PRESSAVG: 468200 -10.5879 6.71465 -10.79 6.71459 -30.8562 15.1699 -10.79 15.1698 3.1677 GPRESSAVG: 468200 -9.93083 6.1103 -11.8441 9.25875 -32.1024 15.7587 -10.5552 17.3573 3.82308 TIMING: 468200 CPU: 1459.48, 0.00312413/step Wall: 1459.48, 0.00312413/step, 3.93276 hours remaining, 234.304688 MB of memory in use. ENERGY: 468200 3976.7775 20620.3042 14389.5641 243.4310 -202788.7139 2491.7328 0.0000 0.0000 52149.2327 -108917.6716 299.7024 -161066.9043 -108546.0343 298.8947 -353.4729 -323.9390 763210.0129 -12.7588 -12.7367 LDB: ============= START OF LOAD BALANCING ============== 1471.95 LDB: ============== END OF LOAD BALANCING =============== 1471.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1471.96 LDB: ============= START OF LOAD BALANCING ============== 1472.27 LDB: Largest compute 7010 load 0.031925 is 16.4% of average load 0.194883 LDB: Average compute 0.004362 is 2.2% of average load 0.194883 LDB: TIME 1472.27 LOAD: AVG 0.194883 MAX 0.21595 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.586 MB LDB: TIME 1472.27 LOAD: AVG 0.194883 MAX 0.21595 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.789 MB LDB: TIME 1472.27 LOAD: AVG 0.194883 MAX 0.21595 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.789 MB LDB: ============== END OF LOAD BALANCING =============== 1472.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1472.28 PRESSURE: 468400 -175.717 -31.2758 -30.5983 -31.2754 221.396 -228.037 -30.5985 -228.037 165.81 GPRESSURE: 468400 -151.805 24.229 -55.904 -152.559 265.034 -194.705 -22.2113 -148.805 189.032 PRESSAVG: 468400 -35.2038 31.9562 1.69869 31.9561 47.0221 -0.382706 1.69866 -0.382777 -10.4101 GPRESSAVG: 468400 -36.1893 35.5252 2.01039 31.3435 47.702 -0.0560441 1.26677 -1.11011 -10.6469 TIMING: 468400 CPU: 1460.11, 0.00317645/step Wall: 1460.11, 0.00317645/step, 3.99845 hours remaining, 234.871094 MB of memory in use. ENERGY: 468400 3998.4542 20503.8823 14351.0654 244.2093 -203529.9868 3138.7886 0.0000 0.0000 52225.6241 -109067.9628 300.1414 -161293.5869 -108708.3644 299.4238 70.4963 100.7537 763266.4294 0.4694 0.2886 PRESSURE: 468600 -171.666 222.5 150.235 222.5 118.741 0.478468 150.235 0.479797 -267.443 GPRESSURE: 468600 -175.837 139.258 302.549 158.859 97.9555 -36.3262 172.457 -74.9808 -162.234 PRESSAVG: 468600 -24.8303 -2.50238 -26.1768 -2.5024 37.4714 -16.6711 -26.1768 -16.6711 9.23164 GPRESSAVG: 468600 -25.7019 -3.46455 -26.3258 -4.96717 38.2999 -18.5215 -27.0319 -16.3673 8.72263 TIMING: 468600 CPU: 1460.73, 0.0030995/step Wall: 1460.73, 0.0030995/step, 3.90141 hours remaining, 235.074219 MB of memory in use. ENERGY: 468600 4033.9922 20518.0901 14481.4398 245.7385 -203251.0297 2947.7130 0.0000 0.0000 52012.3178 -109011.7383 298.9155 -161024.0560 -108661.2436 298.4325 -106.7896 -80.0387 763954.0869 7.2909 7.1068 PRESSURE: 468800 -455.567 140.264 -104.745 140.264 -305.416 -20.3487 -104.745 -20.3472 114.507 GPRESSURE: 468800 -339.291 187.255 -94.2607 75.4315 -288.787 49.9172 -30.8304 92.1437 69.7683 PRESSAVG: 468800 16.9238 55.4003 22.9134 55.4002 1.03088 24.815 22.9133 24.815 3.31721 GPRESSAVG: 468800 17.2637 55.0322 21.6978 56.1972 1.31515 24.608 24.4939 25.62 3.33384 TIMING: 468800 CPU: 1461.35, 0.00309637/step Wall: 1461.35, 0.00309637/step, 3.8973 hours remaining, 235.074219 MB of memory in use. ENERGY: 468800 4007.4508 20505.0128 14433.0716 241.2834 -202751.9283 2900.1975 0.0000 0.0000 51817.1550 -108847.7573 297.7939 -160664.9123 -108502.4362 298.8558 -215.4921 -186.1032 765283.7276 7.0906 7.3042 PRESSURE: 469000 -100.729 -204.817 -117.191 -204.818 -172.646 -215.493 -117.19 -215.493 148.9 GPRESSURE: 469000 -112.155 -162.111 -84.6078 -157.7 -98.9924 -172.57 -81.6078 -376.437 152.603 PRESSAVG: 469000 -16.462 31.0204 -14.9939 31.0205 -13.5939 -24.1389 -14.9939 -24.139 -1.81011 GPRESSAVG: 469000 -15.4981 30.5504 -14.8832 33.1628 -15.6863 -22.584 -14.2036 -25.1358 -1.34797 TIMING: 469000 CPU: 1461.98, 0.0031225/step Wall: 1461.98, 0.0031225/step, 3.93002 hours remaining, 235.074219 MB of memory in use. ENERGY: 469000 3989.6227 20494.1145 14456.0295 236.6303 -203008.6015 2739.3502 0.0000 0.0000 52359.6694 -108733.1849 300.9117 -161092.8544 -108366.0905 299.3726 -41.4915 -19.5148 762577.5033 -10.6220 -10.8441 PRESSURE: 469200 -201.082 27.0726 -63.0231 27.0724 -202.846 55.3481 -63.0235 55.3487 24.4509 GPRESSURE: 469200 -209.197 -86.3527 -8.08323 22.8588 -121.471 142.163 -34.3397 82.2906 35.5551 PRESSAVG: 469200 19.6518 -5.40069 -6.64333 -5.40062 13.3998 1.86015 -6.64329 1.86013 -6.55875 GPRESSAVG: 469200 19.0556 -5.68162 -5.9212 -5.80677 14.6712 1.93881 -7.48874 1.77835 -6.84011 TIMING: 469200 CPU: 1462.6, 0.00313267/step Wall: 1462.6, 0.00313267/step, 3.94263 hours remaining, 235.074219 MB of memory in use. ENERGY: 469200 4000.9079 20443.4326 14339.3668 255.8439 -202707.7062 2806.5627 0.0000 0.0000 51974.6842 -108886.9082 298.6992 -160861.5924 -108524.5964 299.6876 -126.4925 -98.3709 764701.7718 8.8310 8.9622 PRESSURE: 469400 171.071 -246.491 74.8348 -246.491 169.647 -180.329 74.8351 -180.329 100.99 GPRESSURE: 469400 227.266 -166.015 -25.3632 -173.464 216.422 -251.405 57.6471 -259.678 78.8382 PRESSAVG: 469400 -5.42225 -25.2371 53.1442 -25.2371 16.8821 -44.2254 53.1441 -44.2255 -5.14996 GPRESSAVG: 469400 -5.40011 -21.3017 53.9013 -25.4657 17.0916 -44.7996 52.121 -44.4032 -4.85092 TIMING: 469400 CPU: 1463.23, 0.00310627/step Wall: 1463.23, 0.00310627/step, 3.90924 hours remaining, 235.074219 MB of memory in use. ENERGY: 469400 3914.0991 20359.7814 14445.8458 221.9543 -203136.3761 3091.6695 0.0000 0.0000 51937.8588 -109165.1670 298.4876 -161103.0259 -108814.4086 298.6966 147.2359 174.1755 764847.4703 2.1033 2.2802 PRESSURE: 469600 -88.5437 32.8951 -115.096 32.895 -83.4229 -73.4883 -115.096 -73.4873 -91.9977 GPRESSURE: 469600 11.2538 41.7656 -123.566 -12.9568 -77.1604 -108.544 -100.511 38.745 -104.38 PRESSAVG: 469600 -18.0885 -10.5263 17.3048 -10.5263 12.573 -18.5569 17.3048 -18.5569 5.14538 GPRESSAVG: 469600 -17.5467 -11.7283 16.9116 -11.6008 12.1803 -18.3842 16.5891 -19.3228 5.22047 TIMING: 469600 CPU: 1463.85, 0.00312091/step Wall: 1463.85, 0.00312091/step, 3.92749 hours remaining, 235.074219 MB of memory in use. ENERGY: 469600 3959.2901 20578.2267 14488.3778 237.4164 -202664.4562 2665.1510 0.0000 0.0000 51832.9797 -108903.0145 297.8848 -160735.9941 -108543.2518 298.9894 -87.9881 -56.7623 764873.8682 -0.1234 -0.0486 PRESSURE: 469800 48.0577 30.5876 -26.3061 30.5873 -50.6327 151.2 -26.3045 151.201 131.555 GPRESSURE: 469800 80.7038 90.3281 63.0238 18.4133 33.2351 197.458 8.15415 175.439 97.0519 PRESSAVG: 469800 21.2574 41.8725 2.47671 41.8725 -40.4348 16.846 2.47669 16.846 9.44793 GPRESSAVG: 469800 21.2632 41.0085 2.10227 42.3906 -40.8107 17.5206 3.80574 17.3186 10.4094 TIMING: 469800 CPU: 1464.47, 0.00311942/step Wall: 1464.47, 0.00311942/step, 3.92544 hours remaining, 235.074219 MB of memory in use. ENERGY: 469800 3960.0207 20451.0027 14429.8834 269.1643 -202670.2908 2791.3705 0.0000 0.0000 51709.0068 -109059.8424 297.1724 -160768.8492 -108708.7679 299.2194 42.9934 70.3303 765018.6473 -3.2432 -3.0460 PRESSURE: 470000 180.595 37.2334 41.5121 37.2336 386.669 226.65 41.5126 226.65 -444.171 GPRESSURE: 470000 185.792 40.56 122.288 33.9629 331.62 189.324 -3.3791 189.311 -308.201 PRESSAVG: 470000 -61.9032 13.2814 1.44906 13.2813 82.6175 52.8134 1.44903 52.8134 -10.3167 GPRESSAVG: 470000 -61.7017 11.589 1.76001 13.2677 82.1449 54.2907 1.23151 50.9616 -10.5701 TIMING: 470000 CPU: 1465.1, 0.00311073/step Wall: 1465.1, 0.00311073/step, 3.91433 hours remaining, 235.074219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 470000 4091.7644 20454.1542 14398.9206 250.8700 -202702.5282 2870.7358 0.0000 0.0000 51742.5330 -108893.5502 297.3650 -160636.0832 -108542.1074 299.2027 41.0310 69.7369 763703.8652 3.4658 3.2910 PRESSURE: 470200 -76.8598 -123.466 164.004 -123.466 119.876 -66.1735 164.004 -66.1739 223.286 GPRESSURE: 470200 -139.348 -52.5499 243.888 -70.9635 231.446 -68.8823 22.5292 -128.372 272.868 PRESSAVG: 470200 -14.0097 -4.35785 -20.2454 -4.35783 40.729 32.9797 -20.2454 32.9798 -2.87961 GPRESSAVG: 470200 -14.8457 -2.40106 -20.2201 -3.75248 41.2368 31.4775 -20.8291 35.0483 -2.78269 TIMING: 470200 CPU: 1465.72, 0.00310355/step Wall: 1465.72, 0.00310355/step, 3.90513 hours remaining, 235.074219 MB of memory in use. ENERGY: 470200 3983.1005 20604.1489 14494.8400 275.1076 -203118.8367 2806.0731 0.0000 0.0000 52028.8511 -108926.7155 299.0105 -160955.5666 -108577.7355 299.8946 88.7675 121.6556 764040.6279 7.9466 7.8695 PRESSURE: 470400 98.134 -145.787 16.8239 -145.788 -144.341 81.9526 16.8229 81.954 -311.569 GPRESSURE: 470400 74.3747 -147.502 -11.9606 -192.15 -23.3357 53.4231 109.848 9.22516 -313.07 PRESSAVG: 470400 -85.7782 -27.3397 15.0696 -27.3397 70.3258 10.1018 15.0696 10.1018 19.3165 GPRESSAVG: 470400 -86.1421 -27.8876 14.5292 -27.4794 70.6134 11.1999 17.1261 9.62304 19.2928 TIMING: 470400 CPU: 1466.34, 0.00310245/step Wall: 1466.34, 0.00310245/step, 3.90357 hours remaining, 235.074219 MB of memory in use. ENERGY: 470400 4024.0337 20535.5811 14452.8118 243.3720 -203162.0238 2729.3200 0.0000 0.0000 52133.9837 -109042.9214 299.6147 -161176.9051 -108687.7578 299.2202 -119.2584 -87.3437 763909.6375 1.2881 1.2547 PRESSURE: 470600 -260.436 84.4235 -61.8486 84.4236 -79.4174 -26.0039 -61.8485 -26.0038 222.595 GPRESSURE: 470600 -185.373 105.389 -50.1596 84.4822 -51.7507 -61.2373 13.1729 2.98287 193.505 PRESSAVG: 470600 18.3799 -9.82169 -11.188 -9.8218 38.9736 20.0702 -11.188 20.0702 -1.70281 GPRESSAVG: 470600 18.832 -8.59787 -9.78533 -10.7324 39.398 19.5991 -13.0123 20.849 -2.91443 TIMING: 470600 CPU: 1466.96, 0.0031034/step Wall: 1466.96, 0.0031034/step, 3.90459 hours remaining, 235.074219 MB of memory in use. ENERGY: 470600 4051.7146 20367.8400 14471.2752 241.1126 -203182.2165 2976.5826 0.0000 0.0000 51885.5722 -109188.1194 298.1871 -161073.6916 -108828.1945 298.6858 -39.0860 -14.5397 763799.4041 18.5502 18.4385 PRESSURE: 470800 -220.716 81.1744 197.379 81.1736 -284.788 5.47988 197.378 5.47928 -462.13 GPRESSURE: 470800 -136.112 160.669 135.15 8.11618 -307.427 -20.3046 191.909 48.7111 -445.762 PRESSAVG: 470800 -0.674128 -11.4282 -47.295 -11.4282 33.2144 17.9739 -47.295 17.9739 -3.95747 GPRESSAVG: 470800 -0.45077 -12.1726 -47.5392 -11.542 32.9624 19.5242 -46.3876 18.7944 -4.3784 TIMING: 470800 CPU: 1467.58, 0.00312266/step Wall: 1467.58, 0.00312266/step, 3.92866 hours remaining, 235.074219 MB of memory in use. ENERGY: 470800 4006.5884 20567.2314 14435.2993 244.2488 -203098.8762 2758.5502 0.0000 0.0000 52096.9388 -108990.0193 299.4018 -161086.9581 -108623.0824 298.9950 -322.5448 -296.4338 764633.7423 9.5276 9.3777 PRESSURE: 471000 -193.185 -262.745 153.719 -262.745 -81.5654 -83.0707 153.719 -83.0706 31.1834 GPRESSURE: 471000 -172.312 -164.888 203.291 -213.294 -107.883 -213.566 160.956 -117.865 109.855 PRESSAVG: 471000 34.3908 35.5817 -22.1216 35.5817 -10.3319 -35.8272 -22.1216 -35.8273 1.32817 GPRESSAVG: 471000 34.9391 35.7691 -23.0409 36.9353 -11.8218 -36.149 -20.5425 -37.1602 2.56463 TIMING: 471000 CPU: 1468.2, 0.00311507/step Wall: 1468.2, 0.00311507/step, 3.91894 hours remaining, 235.074219 MB of memory in use. ENERGY: 471000 3958.0301 20503.9015 14491.9381 254.1306 -203145.9768 2740.4651 0.0000 0.0000 52273.5576 -108923.9538 300.4169 -161197.5114 -108550.7025 299.1669 -81.1891 -56.7798 764951.0849 8.4623 8.5607 PRESSURE: 471200 2.17453 217.963 -148.748 217.963 -137.165 4.62816 -148.749 4.62897 -83.5647 GPRESSURE: 471200 47.872 133.531 -150.676 181.929 -134.924 111.767 -143.241 129.264 -42.7757 PRESSAVG: 471200 43.5865 28.8941 43.7944 28.8941 -24.2001 40.9952 43.7944 40.9952 9.91257 GPRESSAVG: 471200 42.6314 27.9568 44.0427 28.7648 -22.8095 41.8166 42.1473 42.4627 9.69941 TIMING: 471200 CPU: 1468.83, 0.00313016/step Wall: 1468.83, 0.00313016/step, 3.93774 hours remaining, 235.074219 MB of memory in use. ENERGY: 471200 3971.0612 20558.5072 14476.1494 250.5998 -202539.3329 2559.4726 0.0000 0.0000 51963.9298 -108759.6128 298.6374 -160723.5426 -108391.7630 299.5651 -72.8515 -43.2758 766261.8523 9.7663 9.8404 PRESSURE: 471400 8.39677 -21.3348 -79.7106 -21.3345 -247.645 -19.4829 -79.7109 -19.4821 -331.008 GPRESSURE: 471400 50.7921 -83.5281 -69.541 -47.4528 -161.31 -141.896 5.33886 71.7038 -356.833 PRESSAVG: 471400 -47.4917 44.2096 9.89101 44.2096 10.2253 42.4607 9.89104 42.4607 0.671887 GPRESSAVG: 471400 -49.2328 45.9306 12.6235 43.4738 10.9739 39.6887 8.89629 43.8558 1.34179 TIMING: 471400 CPU: 1469.45, 0.00311285/step Wall: 1469.45, 0.00311285/step, 3.9158 hours remaining, 235.074219 MB of memory in use. ENERGY: 471400 3941.6311 20535.0753 14400.1894 233.6590 -202919.7391 2673.0127 0.0000 0.0000 52325.1321 -108811.0395 300.7133 -161136.1716 -108448.3531 299.2716 -190.0855 -155.7838 765105.0565 -12.1982 -12.3057 PRESSURE: 471600 24.1349 -27.0748 46.064 -27.0756 -166.715 143.791 46.0641 143.792 -512.069 GPRESSURE: 471600 15.6455 -38.6913 78.8985 -37.2478 -30.915 157.12 133.962 103.841 -538.536 PRESSAVG: 471600 -53.3825 16.9487 -73.5415 16.9488 96.6371 2.85876 -73.5415 2.8588 1.16244 GPRESSAVG: 471600 -52.2439 15.9594 -74.1615 17.1893 97.1112 4.96248 -72.9538 1.2584 0.143922 TIMING: 471600 CPU: 1470.08, 0.00313404/step Wall: 1470.08, 0.00313404/step, 3.94227 hours remaining, 235.074219 MB of memory in use. ENERGY: 471600 3977.4958 20623.5167 14383.1895 250.7256 -202927.1544 2664.5228 0.0000 0.0000 52315.2926 -108712.4115 300.6567 -161027.7041 -108340.6759 299.5987 -218.2164 -184.6017 764553.1983 14.8057 15.0037 PRESSURE: 471800 -25.8753 52.9732 119.686 52.9728 -221.005 -66.6133 119.686 -66.6129 -530.521 GPRESSURE: 471800 -6.8971 43.1783 73.5945 46.125 -268.993 -93.4555 139.493 -129.53 -406.167 PRESSAVG: 471800 -21.3765 53.8054 -33.0348 53.8054 22.8029 -74.7757 -33.0348 -74.7757 -3.61655 GPRESSAVG: 471800 -21.7863 55.7825 -36.4133 53.6772 23.0494 -75.5648 -32.2659 -75.0709 -3.37953 TIMING: 471800 CPU: 1470.7, 0.00312166/step Wall: 1470.7, 0.00312166/step, 3.92652 hours remaining, 235.074219 MB of memory in use. ENERGY: 471800 3984.3740 20669.8665 14397.7025 249.2503 -202917.8444 2702.3709 0.0000 0.0000 52145.0071 -108769.2731 299.6781 -160914.2802 -108396.4917 299.7842 -259.1336 -227.3524 765225.2248 -0.7301 -0.7055 PRESSURE: 472000 -148.568 158.206 -210.694 158.207 114.956 12.3617 -210.693 12.3608 -134.244 GPRESSURE: 472000 -36.1083 191.353 -146.293 151.647 91.0394 131.555 -106.994 -14.2245 -163.709 PRESSAVG: 472000 -25.6645 24.8402 -48.9973 24.8402 19.7594 -25.0209 -48.9972 -25.0209 4.59944 GPRESSAVG: 472000 -24.4539 22.3276 -48.2592 25.8809 17.9869 -24.0587 -48.8489 -25.0558 5.58793 TIMING: 472000 CPU: 1471.33, 0.00310846/step Wall: 1471.33, 0.00310846/step, 3.90975 hours remaining, 235.074219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 472000 3957.8991 20639.0183 14499.1617 277.3701 -203348.8431 3043.3202 0.0000 0.0000 52308.8298 -108623.2441 300.6196 -160932.0738 -108259.6292 300.4435 -55.9521 -36.2592 765877.0181 -0.4352 -0.2930 PRESSURE: 472200 -44.2596 -11.2497 118.452 -11.2492 305.257 -230.367 118.452 -230.367 -84.195 GPRESSURE: 472200 7.26491 -69.8432 194.103 59.5966 251.978 -233.106 8.58498 -179.664 -16.6292 PRESSAVG: 472200 2.05791 38.4833 40.7222 38.4833 17.3441 -2.77104 40.7222 -2.77106 19.249 GPRESSAVG: 472200 3.09154 38.3291 40.6628 37.8274 17.1937 -5.05504 38.0352 -1.06714 18.6054 TIMING: 472200 CPU: 1471.95, 0.0031197/step Wall: 1471.95, 0.0031197/step, 3.92372 hours remaining, 235.074219 MB of memory in use. ENERGY: 472200 3998.8239 20596.8691 14457.3282 252.5135 -203088.7537 2824.7043 0.0000 0.0000 52175.7214 -108782.7933 299.8546 -160958.5147 -108415.4279 300.1989 58.9342 80.8711 764636.6954 12.8836 12.9636 LDB: ============= START OF LOAD BALANCING ============== 1484.43 LDB: ============== END OF LOAD BALANCING =============== 1484.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1484.43 LDB: ============= START OF LOAD BALANCING ============== 1484.74 LDB: Largest compute 7010 load 0.031053 is 15.9% of average load 0.194943 LDB: Average compute 0.004370 is 2.2% of average load 0.194943 LDB: TIME 1484.74 LOAD: AVG 0.194943 MAX 0.216212 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.875 MB LDB: TIME 1484.74 LOAD: AVG 0.194943 MAX 0.216212 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.875 MB LDB: TIME 1484.74 LOAD: AVG 0.194943 MAX 0.216212 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.875 MB LDB: ============== END OF LOAD BALANCING =============== 1484.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1484.75 PRESSURE: 472400 -644.969 -45.6088 156.222 -45.6087 -148.595 -9.28379 156.223 -9.28439 -198.677 GPRESSURE: 472400 -561.604 -70.0281 184.448 -40.1729 -141.586 -15.5154 167.527 -46.9171 -193.026 PRESSAVG: 472400 -21.8926 31.9693 -3.2837 31.9693 34.3161 1.63238 -3.2837 1.63234 1.97967 GPRESSAVG: 472400 -21.67 32.019 -3.98299 31.1616 33.9912 2.30476 -1.54634 0.974964 2.16731 TIMING: 472400 CPU: 1472.58, 0.00317123/step Wall: 1472.58, 0.00317123/step, 3.98835 hours remaining, 234.757812 MB of memory in use. ENERGY: 472400 3965.7775 20654.2200 14474.3813 255.4247 -203136.7858 2592.1167 0.0000 0.0000 52348.6097 -108846.2559 300.8482 -161194.8655 -108480.4668 300.0972 -330.7471 -298.7387 765093.2678 4.8010 4.8295 PRESSURE: 472600 2.18389 -223.955 -18.4128 -223.956 450.661 108.721 -18.4114 108.721 -67.7615 GPRESSURE: 472600 121.883 -92.9208 -94.5114 -220.986 415.058 137.079 157.694 87.5695 -51.3573 PRESSAVG: 472600 -24.1971 22.5755 12.1759 22.5755 3.46904 -3.59679 12.1759 -3.59686 -4.10917 GPRESSAVG: 472600 -25.1188 21.4388 13.3734 27.8646 4.43943 -4.53337 11.3635 -2.72779 -4.28965 TIMING: 472600 CPU: 1473.21, 0.00311191/step Wall: 1473.21, 0.00311191/step, 3.91358 hours remaining, 234.757812 MB of memory in use. ENERGY: 472600 4009.2599 20555.6255 14407.8983 236.4103 -203149.1698 2933.3967 0.0000 0.0000 52289.4547 -108717.1244 300.5082 -161006.5791 -108352.8017 299.8473 128.3611 161.8615 763455.0427 -8.2791 -8.3230 PRESSURE: 472800 -122.449 -20.7135 416.114 -20.7138 -198.978 -113.663 416.115 -113.662 -75.9706 GPRESSURE: 472800 -145.124 137.325 345.558 -50.4028 -137.595 -129.619 251.956 -26.9451 -23.8719 PRESSAVG: 472800 -51.0675 -12.1924 21.7096 -12.1924 64.1333 -56.4278 21.7096 -56.4278 -23.1301 GPRESSAVG: 472800 -50.9345 -10.2788 21.0271 -15.1432 64.0286 -56.1851 21.3548 -57.5718 -23.1734 TIMING: 472800 CPU: 1473.83, 0.00312068/step Wall: 1473.83, 0.00312068/step, 3.92443 hours remaining, 234.757812 MB of memory in use. ENERGY: 472800 4015.2258 20558.6300 14474.4349 255.9608 -203481.8706 3132.7296 0.0000 0.0000 52189.3730 -108855.5166 299.9330 -161044.8896 -108494.5571 299.7694 -132.4658 -102.1969 764709.5740 -3.3548 -3.3598 PRESSURE: 473000 -188.934 99.6962 -234.948 99.6959 -302.36 -246.378 -234.948 -246.379 -142.217 GPRESSURE: 473000 -172.061 32.6051 -149.785 -3.06752 -278.537 -219.14 -324.671 -146.559 -112.29 PRESSAVG: 473000 37.8101 -13.6291 8.60673 -13.629 -31.0836 -10.9518 8.60665 -10.9518 -2.70359 GPRESSAVG: 473000 36.6994 -12.1849 10.6847 -17.2249 -30.2852 -10.9773 7.77548 -9.99911 -2.3041 TIMING: 473000 CPU: 1474.46, 0.00313044/step Wall: 1474.46, 0.00313044/step, 3.93653 hours remaining, 234.757812 MB of memory in use. ENERGY: 473000 3984.7351 20651.3828 14477.7110 237.6473 -203227.2963 2713.0226 0.0000 0.0000 52200.4927 -108962.3048 299.9969 -161162.7975 -108600.6555 300.0008 -211.1703 -187.6292 765484.9860 1.3410 1.3700 PRESSURE: 473200 -338.365 204.363 -9.58495 204.363 -65.786 -157.086 -9.58511 -157.085 -169.05 GPRESSURE: 473200 -277.804 158.553 13.0418 251.29 -60.4547 -128.294 100.538 -239.494 -154.743 PRESSAVG: 473200 -10.8949 19.1532 64.1708 19.1531 -16.5924 -61.7161 64.1707 -61.7162 9.87144 GPRESSAVG: 473200 -10.7594 19.1813 63.9116 21.523 -16.9485 -61.9317 65.9248 -62.1856 9.61927 TIMING: 473200 CPU: 1475.08, 0.00313639/step Wall: 1475.08, 0.00313639/step, 3.94384 hours remaining, 234.757812 MB of memory in use. ENERGY: 473200 3964.7899 20503.1986 14421.0806 260.9220 -202990.1665 2726.7295 0.0000 0.0000 52067.3569 -109046.0889 299.2318 -161113.4458 -108670.5892 299.3504 -191.0669 -164.3337 765535.5640 -5.8720 -6.0295 PRESSURE: 473400 269.424 -22.6062 129.975 -22.6052 -89.9449 -80.37 129.976 -80.3707 -115.073 GPRESSURE: 473400 328.829 -75.9861 52.169 63.8928 -26.1931 4.64294 135.254 -25.9324 -157.558 PRESSAVG: 473400 2.41833 -24.3592 -7.2067 -24.3592 -34.1321 -41.8798 -7.20668 -41.8798 7.37402 GPRESSAVG: 473400 3.02467 -25.6782 -6.97705 -24.6971 -34.5222 -41.588 -7.69501 -41.6292 7.23319 TIMING: 473400 CPU: 1475.71, 0.00314092/step Wall: 1475.71, 0.00314092/step, 3.94935 hours remaining, 234.757812 MB of memory in use. ENERGY: 473400 4002.3537 20530.8116 14421.8636 260.0929 -203191.0095 2942.2662 0.0000 0.0000 52018.4097 -109015.2118 298.9505 -161033.6214 -108660.9172 299.0040 21.4687 48.3591 765031.7980 -8.1132 -8.0881 PRESSURE: 473600 -346.86 -198.419 161.683 -198.419 -105.365 -117.468 161.684 -117.47 95.2147 GPRESSURE: 473600 -336.468 -231.72 164.076 -199.315 -28.4818 -98.6813 135.524 -30.3414 70.8073 PRESSAVG: 473600 -48.0141 -4.79245 9.54101 -4.79244 17.4562 -98.9456 9.54099 -98.9456 -17.9973 GPRESSAVG: 473600 -49.7543 -6.3493 7.84808 -3.47601 18.386 -96.9332 10.965 -100.379 -17.2328 TIMING: 473600 CPU: 1476.34, 0.0031313/step Wall: 1476.34, 0.0031313/step, 3.93709 hours remaining, 234.757812 MB of memory in use. ENERGY: 473600 4023.5015 20495.7900 14455.2424 263.5175 -203259.3332 2837.3251 0.0000 0.0000 52253.4194 -108930.5374 300.3011 -161183.9567 -108572.6483 298.8547 -119.0035 -98.0473 765112.2820 -16.1851 -16.2004 PRESSURE: 473800 62.2916 185.334 142.037 185.334 -106.803 -68.6176 142.038 -68.6182 -413.878 GPRESSURE: 473800 5.98663 49.1994 160.056 109.383 -112.068 -79.1539 175.976 1.01982 -291.72 PRESSAVG: 473800 2.92517 30.0299 -25.5621 30.0298 -23.2739 -53.5239 -25.5621 -53.5239 -0.82092 GPRESSAVG: 473800 3.62862 28.4003 -24.7679 29.2766 -23.3522 -55.4148 -26.9227 -52.7076 -1.14533 TIMING: 473800 CPU: 1476.96, 0.0031308/step Wall: 1476.96, 0.0031308/step, 3.93629 hours remaining, 234.757812 MB of memory in use. ENERGY: 473800 4077.0063 20353.2557 14435.8188 254.6780 -202811.1675 2850.8650 0.0000 0.0000 51965.4813 -108874.0624 298.6463 -160839.5437 -108521.6603 299.1029 -152.7966 -132.6005 764849.4987 -7.0565 -6.9563 PRESSURE: 474000 88.9836 52.8449 23.2499 52.8457 -254.961 -16.2655 23.2505 -16.2651 106.813 GPRESSURE: 474000 114.826 116.258 -7.28259 140.391 -155.195 -103.043 25.1584 25.5368 65.6557 PRESSAVG: 474000 11.3692 31.5493 -32.4375 31.5493 -22.5582 -28.7119 -32.4375 -28.7119 8.4693 GPRESSAVG: 474000 11.4404 32.6307 -33.3135 28.4266 -22.2225 -28.4627 -33.6935 -29.1531 7.73442 TIMING: 474000 CPU: 1477.59, 0.00312979/step Wall: 1477.59, 0.00312979/step, 3.93484 hours remaining, 234.757812 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: 474000 4069.7150 20383.2807 14432.0524 242.7621 -202481.5683 2714.0155 0.0000 0.0000 51622.0305 -109017.7120 296.6725 -160639.7425 -108658.5142 298.3820 -19.7214 8.4288 765028.9887 -0.9066 -1.0159 PRESSURE: 474200 -233.008 255.482 -30.7324 255.482 111.816 -263.416 -30.7311 -263.415 -181.151 GPRESSURE: 474200 -59.242 230.228 -65.2651 176.381 95.2814 -253.296 25.594 -259.469 -247.549 PRESSAVG: 474200 -10.3891 70.809 -28.0013 70.809 22.072 -4.99416 -28.0013 -4.99418 -13.812 GPRESSAVG: 474200 -9.89623 73.137 -28.4761 71.9537 21.4323 -4.79416 -26.2335 -7.30441 -13.9394 TIMING: 474200 CPU: 1478.22, 0.00313072/step Wall: 1478.22, 0.00313072/step, 3.93584 hours remaining, 234.757812 MB of memory in use. ENERGY: 474200 3998.4751 20579.0782 14440.4088 259.7794 -202935.7460 2916.8953 0.0000 0.0000 51807.6240 -108933.4853 297.7391 -160741.1093 -108577.6517 298.8968 -100.7809 -70.5033 765070.8259 -0.7097 -0.8011 PRESSURE: 474400 32.601 -104.226 -184.548 -104.226 -48.8765 -132.74 -184.548 -132.74 -240.377 GPRESSURE: 474400 20.1097 -168.941 -123.401 -59.5559 -83.9253 -97.7189 -23.8301 -81.1709 -133.67 PRESSAVG: 474400 -41.9485 6.29237 -8.62417 6.29235 29.1076 -23.1618 -8.62419 -23.1618 -22.1859 GPRESSAVG: 474400 -43.2686 2.62483 -7.33552 8.80122 29.3108 -23.3208 -9.27662 -20.9939 -21.0234 TIMING: 474400 CPU: 1478.84, 0.00312837/step Wall: 1478.84, 0.00312837/step, 3.93271 hours remaining, 234.757812 MB of memory in use. ENERGY: 474400 3969.8983 20615.0991 14449.6022 244.3820 -203248.3442 3158.1153 0.0000 0.0000 52092.0986 -108719.1486 299.3740 -160811.2473 -108361.1639 299.1003 -85.5507 -65.8284 765118.6716 -11.6756 -11.6604 PRESSURE: 474600 -46.4615 9.84588 -80.8471 9.84656 -139.203 -55.1959 -80.8477 -55.1968 -184.12 GPRESSURE: 474600 61.6337 -37.8111 119.206 -6.22889 -138.929 -49.5278 -28.5972 53.4654 -202.494 PRESSAVG: 474600 12.7331 -38.2352 -10.4691 -38.2352 -16.193 -98.3995 -10.4691 -98.3995 -2.98548 GPRESSAVG: 474600 14.034 -37.2088 -9.67014 -39.32 -16.3678 -98.015 -11.3466 -99.077 -3.60936 TIMING: 474600 CPU: 1479.47, 0.00311736/step Wall: 1479.47, 0.00311736/step, 3.91869 hours remaining, 234.757812 MB of memory in use. ENERGY: 474600 4017.0284 20640.7037 14459.7189 239.5170 -203005.7904 2813.8097 0.0000 0.0000 52073.0384 -108761.9742 299.2645 -160835.0126 -108404.1626 300.0227 -123.2616 -93.2629 765573.2375 -2.1484 -1.9811 PRESSURE: 474800 -481.368 -132.03 -286.967 -132.03 -166.598 16.1305 -286.967 16.1293 -365.512 GPRESSURE: 474800 -458.629 -59.9263 -250.532 -86.2978 -206.217 19.5591 -254.174 -6.37831 -266.804 PRESSAVG: 474800 -14.313 30.7696 -45.5263 30.7696 27.3446 -45.6219 -45.5263 -45.6219 6.49102 GPRESSAVG: 474800 -14.0482 32.6765 -47.6177 30.233 29.028 -47.0602 -45.7582 -43.7692 5.03367 TIMING: 474800 CPU: 1480.09, 0.00310208/step Wall: 1480.09, 0.00310208/step, 3.89931 hours remaining, 234.757812 MB of memory in use. ENERGY: 474800 3969.0230 20585.1771 14493.3947 248.6402 -202819.6563 2574.5515 0.0000 0.0000 52071.1883 -108877.6815 299.2538 -160948.8698 -108513.1746 299.8044 -337.8262 -310.5501 763904.3284 6.5076 6.6712 PRESSURE: 475000 -212.264 -174.974 193.15 -174.974 -497.995 -83.5151 193.151 -83.5159 -481.608 GPRESSURE: 475000 -158.012 -183.981 226.055 -123.801 -438.292 -70.9946 263.015 -42.2039 -527.526 PRESSAVG: 475000 -0.79653 -5.05647 36.4998 -5.05648 35.7281 -19.9721 36.4999 -19.9722 5.23055 GPRESSAVG: 475000 -1.03352 -6.05237 35.8763 -3.83881 34.1239 -17.993 39.5656 -20.9137 6.66726 TIMING: 475000 CPU: 1480.71, 0.00312751/step Wall: 1480.71, 0.00312751/step, 3.93111 hours remaining, 234.757812 MB of memory in use. ENERGY: 475000 3999.9344 20568.0100 14509.3686 240.0035 -202997.2222 2617.8027 0.0000 0.0000 51966.9131 -109095.1900 298.6546 -161062.1031 -108730.5012 299.5782 -397.2891 -374.6100 764613.5892 13.3874 13.2525 PRESSURE: 475200 -134.075 67.2667 129.614 67.2665 -32.4888 22.1186 129.615 22.1195 -215.854 GPRESSURE: 475200 -131.307 13.9794 115.445 121.944 48.6181 22.9481 30.0572 41.0608 -218.191 PRESSAVG: 475200 -10.8181 11.1668 1.88453 11.1668 28.8072 -38.1735 1.88455 -38.1736 19.8225 GPRESSAVG: 475200 -11.1012 10.2765 4.03657 10.5067 30.0065 -40.142 -0.895131 -37.812 19.0029 TIMING: 475200 CPU: 1481.34, 0.00311529/step Wall: 1481.34, 0.00311529/step, 3.91558 hours remaining, 234.757812 MB of memory in use. ENERGY: 475200 4043.7042 20565.9683 14499.8736 257.5490 -203380.7000 2842.9811 0.0000 0.0000 52114.1911 -109056.4327 299.5010 -161170.6238 -108688.5233 298.9046 -127.4724 -100.2931 764547.8333 12.6039 12.6361 PRESSURE: 475400 -31.294 43.7052 -277.696 43.7053 -110.372 97.9001 -277.697 97.9009 199.872 GPRESSURE: 475400 12.2897 -0.758927 -286.167 -16.7731 -96.2411 86.2175 -71.2437 130.458 226.14 PRESSAVG: 475400 -10.8757 -9.40865 29.1253 -9.40868 -15.2036 -15.0274 29.1253 -15.0275 16.2736 GPRESSAVG: 475400 -11.8844 -10.1725 26.9132 -9.76766 -15.8936 -14.4039 29.5692 -15.1519 17.4654 TIMING: 475400 CPU: 1481.96, 0.00312333/step Wall: 1481.96, 0.00312333/step, 3.9255 hours remaining, 234.757812 MB of memory in use. ENERGY: 475400 3966.6592 20600.0003 14446.1032 253.4597 -203168.7740 3018.9277 0.0000 0.0000 51921.1587 -108962.4651 298.3916 -160883.6239 -108602.2724 298.7251 19.4020 47.3961 764177.8360 -3.2685 -3.4375 PRESSURE: 475600 153.303 -25.0097 -205.235 -25.0094 631.38 47.8568 -205.236 47.856 117.721 GPRESSURE: 475600 164.402 -37.0296 -100.737 -33.6651 658.527 26.2076 -301.615 30.1847 166.16 PRESSAVG: 475600 -30.4728 -54.1853 -3.10035 -54.1853 33.2781 -14.3153 -3.10036 -14.3154 7.57946 GPRESSAVG: 475600 -29.3985 -52.028 -2.10719 -54.3169 32.7658 -14.0527 -2.12216 -15.6791 7.16333 TIMING: 475600 CPU: 1482.58, 0.00312143/step Wall: 1482.58, 0.00312143/step, 3.92295 hours remaining, 234.757812 MB of memory in use. ENERGY: 475600 3993.6538 20529.9050 14468.2575 246.6267 -203374.3502 3211.0997 0.0000 0.0000 51960.2889 -108964.5185 298.6165 -160924.8074 -108592.3011 299.0795 300.8015 329.6962 763266.7624 3.4616 3.5102 PRESSURE: 475800 -315.107 -96.9362 -0.95132 -96.9374 -30.5408 -22.2095 -0.951313 -22.2097 89.1886 GPRESSURE: 475800 -209.862 -178.303 -21.4566 -115.068 -21.8736 -54.297 165.528 -152.051 68.2293 PRESSAVG: 475800 45.144 -7.69515 31.1759 -7.69515 -7.66362 -42.0437 31.1759 -42.0438 29.5619 GPRESSAVG: 475800 44.9731 -9.20809 32.4691 -7.32807 -7.87778 -42.8003 30.9959 -41.4709 29.6244 TIMING: 475800 CPU: 1483.21, 0.00312498/step Wall: 1483.21, 0.00312498/step, 3.92723 hours remaining, 234.757812 MB of memory in use. ENERGY: 475800 3989.6272 20496.4910 14404.7097 258.5875 -202505.3268 2365.8635 0.0000 0.0000 52222.5937 -108767.4542 300.1240 -160990.0479 -108398.6577 299.2476 -85.4865 -54.5020 764879.9611 22.3474 22.2399 PRESSURE: 476000 7.09296 13.061 -71.5346 13.0604 273.859 -225.706 -71.5339 -225.706 92.5602 GPRESSURE: 476000 96.0699 121.852 -80.3249 -2.50101 254.954 -171.876 0.815118 -290.14 122.613 PRESSAVG: 476000 -34.7815 -29.1071 62.603 -29.1071 10.4347 -20.6946 62.6029 -20.6947 14.309 GPRESSAVG: 476000 -34.9949 -28.1356 61.405 -29.5516 9.82603 -20.3427 62.1722 -20.578 15.3228 TIMING: 476000 CPU: 1483.84, 0.00313833/step Wall: 1483.84, 0.00313833/step, 3.94383 hours remaining, 234.757812 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: 476000 3991.5541 20446.2487 14413.5270 256.7376 -202986.0167 2900.6411 0.0000 0.0000 51954.8203 -109022.4878 298.5851 -160977.3082 -108652.3561 298.8777 124.5041 157.8790 766267.8434 -3.3459 -3.2820 PRESSURE: 476200 -196.529 246.77 105.12 246.77 -375.251 77.244 105.12 77.243 2.61476 GPRESSURE: 476200 -186.122 139.506 -14.1635 177.666 -364.417 88.7807 26.8747 66.7271 75.2345 PRESSAVG: 476200 12.8947 -18.3287 24.7239 -18.3288 -4.70923 -35.9354 24.7239 -35.9354 -12.9411 GPRESSAVG: 476200 12.6963 -20.442 25.1762 -17.5117 -4.02344 -36.226 26.516 -36.0724 -13.7686 TIMING: 476200 CPU: 1484.47, 0.00314408/step Wall: 1484.47, 0.00314408/step, 3.95089 hours remaining, 234.757812 MB of memory in use. ENERGY: 476200 4009.3871 20536.4359 14500.8137 239.6725 -202842.8800 2745.8390 0.0000 0.0000 51787.4740 -109023.2578 297.6233 -160810.7318 -108668.2253 298.7867 -189.7218 -158.4346 766781.5604 -1.5852 -1.6986 LDB: ============= START OF LOAD BALANCING ============== 1496.95 LDB: ============== END OF LOAD BALANCING =============== 1496.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1496.95 LDB: ============= START OF LOAD BALANCING ============== 1497.26 LDB: Largest compute 7010 load 0.032334 is 16.6% of average load 0.195020 LDB: Average compute 0.004383 is 2.2% of average load 0.195020 LDB: TIME 1497.27 LOAD: AVG 0.19502 MAX 0.214107 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.504 MB LDB: TIME 1497.27 LOAD: AVG 0.19502 MAX 0.214107 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.504 MB LDB: TIME 1497.27 LOAD: AVG 0.19502 MAX 0.214107 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.504 MB LDB: ============== END OF LOAD BALANCING =============== 1497.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1497.27 PRESSURE: 476400 21.0473 -5.52238 -138.903 -5.52202 306.531 140.822 -138.904 140.822 214.253 GPRESSURE: 476400 80.5309 42.6169 -59.2718 -56.6508 363.247 79.209 -130.246 66.7554 173.627 PRESSAVG: 476400 -11.6568 14.1583 -10.9872 14.1582 -13.725 -44.7995 -10.9872 -44.7995 8.70472 GPRESSAVG: 476400 -12.688 17.4006 -12.7059 12.2125 -12.1783 -45.1937 -12.4612 -44.7759 8.02321 TIMING: 476400 CPU: 1485.11, 0.00321094/step Wall: 1485.11, 0.00321094/step, 4.03473 hours remaining, 234.816406 MB of memory in use. ENERGY: 476400 3998.5507 20443.3802 14428.0512 236.3726 -203478.1274 3125.9821 0.0000 0.0000 52223.0517 -109022.7389 300.1266 -161245.7906 -108657.7188 298.7082 180.6106 205.8014 764904.5364 -5.5591 -5.6144 PRESSURE: 476600 -234.624 -37.825 -8.89941 -37.8249 -178.153 -342.395 -8.89968 -342.396 -227.805 GPRESSURE: 476600 -184.077 21.1183 17.9351 -28.5735 -134.043 -316.778 -52.9863 -271.294 -249.36 PRESSAVG: 476600 -28.9045 -3.04047 16.3083 -3.04048 48.6227 -37.121 16.3083 -37.121 -14.4782 GPRESSAVG: 476600 -27.8276 -5.44892 17.5676 -1.17532 47.9762 -35.07 17.055 -38.7161 -14.6941 TIMING: 476600 CPU: 1485.73, 0.00312741/step Wall: 1485.73, 0.00312741/step, 3.92959 hours remaining, 234.816406 MB of memory in use. ENERGY: 476600 3982.2755 20368.5381 14533.3668 235.7508 -202822.4322 2567.6072 0.0000 0.0000 52148.1076 -108986.7862 299.6959 -161134.8938 -108615.6932 299.2253 -213.5273 -189.1601 767013.6907 1.7467 1.8182 PRESSURE: 476800 -192.536 -55.196 -79.1782 -55.1956 -64.8399 -273.421 -79.1778 -273.421 -50.8693 GPRESSURE: 476800 -122.537 -60.9954 -104.789 -170.557 -37.4473 -93.2435 -125.261 -297.136 -36.5626 PRESSAVG: 476800 -48.3909 14.4808 28.1434 14.4809 26.5642 -18.8184 28.1434 -18.8184 13.1372 GPRESSAVG: 476800 -47.6557 13.8689 28.2866 13.8075 25.3132 -19.8366 25.9871 -16.6983 13.9628 TIMING: 476800 CPU: 1486.36, 0.00311465/step Wall: 1486.36, 0.00311465/step, 3.91339 hours remaining, 234.816406 MB of memory in use. ENERGY: 476800 3928.8157 20479.5537 14527.7164 244.5570 -202821.8950 2871.4718 0.0000 0.0000 52222.9055 -108546.8750 300.1258 -160769.7805 -108182.6034 300.0101 -102.7484 -65.5157 768282.8619 -2.8965 -2.7932 PRESSURE: 477000 -298.695 -62.5847 458.461 -62.585 474.519 -93.2865 458.46 -93.2862 158.879 GPRESSURE: 477000 -152.763 -144.187 397.275 69.2326 374.402 -62.2942 366.976 13.8665 207.956 PRESSAVG: 477000 3.92502 -8.20436 62.278 -8.20434 27.9766 56.2001 62.278 56.2001 21.5588 GPRESSAVG: 477000 4.52378 -6.18675 60.9591 -7.58344 27.8167 56.9185 65.4333 54.7998 21.3409 TIMING: 477000 CPU: 1486.98, 0.00312684/step Wall: 1486.98, 0.00312684/step, 3.92852 hours remaining, 234.816406 MB of memory in use. ENERGY: 477000 3992.4398 20743.7950 14430.9423 256.2091 -202937.7333 2921.1972 0.0000 0.0000 51968.1633 -108624.9867 298.6617 -160593.1500 -108276.4383 300.2932 111.5675 143.1982 764019.8776 17.8202 17.8938 PRESSURE: 477200 145.512 7.64701 8.29846 7.64783 -181.066 24.6573 8.29814 24.6578 202.015 GPRESSURE: 477200 197.338 -1.92934 -47.3493 6.64519 -132.297 163.223 -11.8748 95.4246 182.988 PRESSAVG: 477200 -3.19988 -18.627 34.1874 -18.627 -34.7691 28.1337 34.1875 28.1337 -7.58449 GPRESSAVG: 477200 -3.55324 -19.3784 36.1096 -18.8668 -34.3894 26.2438 33.0396 29.5222 -7.85848 TIMING: 477200 CPU: 1487.61, 0.00313353/step Wall: 1487.61, 0.00313353/step, 3.93676 hours remaining, 234.816406 MB of memory in use. ENERGY: 477200 4030.7994 20413.9753 14462.0569 256.7888 -203103.7078 2800.9530 0.0000 0.0000 52300.2448 -108838.8896 300.5702 -161139.1345 -108460.3905 299.7832 55.4871 82.6763 763068.7572 -15.1845 -15.2670 PRESSURE: 477400 -238.733 115.528 19.74 115.529 -188.815 -94.2965 19.7409 -94.2967 -79.5655 GPRESSURE: 477400 -310.795 101.281 -67.2862 -39.9225 -58.4097 -9.22508 92.1094 -282.549 -54.2456 PRESSAVG: 477400 20.9116 26.0583 19.3413 26.0583 -6.85388 7.5059 19.3413 7.50584 16.7586 GPRESSAVG: 477400 19.6947 26.3504 18.7783 24.3418 -5.1477 10.1108 19.3722 5.91846 16.6681 TIMING: 477400 CPU: 1488.23, 0.0031167/step Wall: 1488.23, 0.0031167/step, 3.91544 hours remaining, 234.816406 MB of memory in use. ENERGY: 477400 3995.0596 20593.4849 14443.0384 247.4591 -202986.2818 2751.5450 0.0000 0.0000 52321.7796 -108633.9152 300.6940 -160955.6948 -108271.0408 299.7254 -169.0379 -141.1502 765126.3059 10.2721 10.4051 PRESSURE: 477600 71.7836 98.1644 -61.0165 98.1648 74.2394 -99.2464 -61.0167 -99.2465 262.948 GPRESSURE: 477600 73.6972 177.634 53.3735 168.513 131.819 -62.4489 -104.925 -37.1009 288.534 PRESSAVG: 477600 -11.4427 9.83666 8.34299 9.83657 28.9837 -34.7466 8.34292 -34.7466 -24.2513 GPRESSAVG: 477600 -11.4778 8.6381 9.23404 11.1162 28.4368 -35.2138 6.28477 -32.3363 -23.6207 TIMING: 477600 CPU: 1488.85, 0.00310371/step Wall: 1488.85, 0.00310371/step, 3.89895 hours remaining, 234.816406 MB of memory in use. ENERGY: 477600 4028.6805 20448.3578 14457.8570 234.3808 -203120.6550 2965.3726 0.0000 0.0000 52423.8536 -108562.1527 301.2806 -160986.0064 -108194.5640 300.7258 136.3236 164.6833 765647.6360 -2.2368 -2.2206 PRESSURE: 477800 -351.675 -68.1488 44.4934 -68.1489 -4.59376 0.260848 44.4928 0.26159 -113.887 GPRESSURE: 477800 -280.038 52.6439 117.063 -59.8204 -1.14351 -23.1871 -24.6629 -55.9773 -119.183 PRESSAVG: 477800 -64.5855 -33.3944 -31.9524 -33.3944 62.0984 4.98207 -31.9524 4.98203 14.475 GPRESSAVG: 477800 -64.1583 -32.1627 -32.983 -31.4532 61.7971 5.43196 -30.2896 2.99595 14.3371 TIMING: 477800 CPU: 1489.47, 0.00309767/step Wall: 1489.47, 0.00309767/step, 3.89119 hours remaining, 234.816406 MB of memory in use. ENERGY: 477800 4014.4919 20417.9598 14515.4102 243.0805 -203460.6736 3130.6110 0.0000 0.0000 52219.7685 -108919.3517 300.1077 -161139.1201 -108558.9550 299.8348 -156.7185 -133.4548 764610.1328 3.9960 3.9920 PRESSURE: 478000 -180.286 -26.3094 -115.488 -26.3089 87.3369 -206.648 -115.487 -206.648 173.636 GPRESSURE: 478000 -107.181 -35.6634 -158.386 84.9051 162.799 -129.008 -114.417 -22.4323 117.356 PRESSAVG: 478000 -20.2781 -27.0591 -85.2529 -27.0591 35.1007 -15.783 -85.2529 -15.7829 -9.66374 GPRESSAVG: 478000 -20.1643 -26.0607 -84.4647 -29.2407 35.2814 -14.6697 -85.8122 -13.37 -10.0858 TIMING: 478000 CPU: 1490.09, 0.00310845/step Wall: 1490.09, 0.00310845/step, 3.90456 hours remaining, 234.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 478000 3962.3035 20626.6065 14410.2308 245.7022 -203134.8016 2934.2991 0.0000 0.0000 51996.0148 -108959.6448 298.8218 -160955.6596 -108598.4517 299.2247 26.8957 57.6580 765411.6516 1.7196 1.6771 PRESSURE: 478200 156.7 82.6945 -215.14 82.6949 39.1116 -29.9189 -215.14 -29.9193 150.25 GPRESSURE: 478200 232.097 12.1381 -170.604 48.6877 32.8585 23.0797 -120.561 -51.137 178.734 PRESSAVG: 478200 5.63508 -30.9567 -51.6289 -30.9567 -78.2987 -21.3921 -51.629 -21.3921 31.5104 GPRESSAVG: 478200 5.61139 -31.034 -53.4868 -29.4215 -78.3539 -23.0667 -50.7996 -23.0999 30.5367 TIMING: 478200 CPU: 1490.72, 0.00311381/step Wall: 1490.72, 0.00311381/step, 3.91112 hours remaining, 234.816406 MB of memory in use. ENERGY: 478200 3999.9715 20396.0450 14460.3775 263.2249 -202892.9360 2931.7624 0.0000 0.0000 51872.4982 -108969.0566 298.1120 -160841.5548 -108607.3789 298.6190 115.3538 147.8966 764790.8450 -13.7178 -14.0686 PRESSURE: 478400 -302.27 118.161 191.001 118.161 -129.755 169.608 191 169.608 341.899 GPRESSURE: 478400 -261.401 229.121 130.753 91.6186 -46.5379 176.825 287.067 5.60724 307.095 PRESSAVG: 478400 27.4129 77.4325 -32.6905 77.4325 14.571 -63.616 -32.6905 -63.616 -20.1184 GPRESSAVG: 478400 26.3619 75.0524 -31.3741 76.5205 13.1881 -64.6691 -32.4725 -63.8635 -18.2901 TIMING: 478400 CPU: 1491.34, 0.00311285/step Wall: 1491.34, 0.00311285/step, 3.90974 hours remaining, 234.816406 MB of memory in use. ENERGY: 478400 3966.2800 20633.7495 14443.4726 241.5983 -202709.6656 2511.9837 0.0000 0.0000 51983.7721 -108928.8094 298.7515 -160912.5815 -108560.9562 298.6730 -30.0420 -0.2814 764233.7789 7.2885 7.0866 PRESSURE: 478600 109.9 -256.671 -190.366 -256.671 42.5477 -36.8874 -190.367 -36.8876 43.7477 GPRESSURE: 478600 91.6079 -136.088 -129.195 -274.251 154.28 6.28555 -95.1301 8.62296 67.7062 PRESSAVG: 478600 38.1008 20.0094 -5.3756 20.0094 8.65449 -62.7214 -5.37557 -62.7214 -14.2886 GPRESSAVG: 478600 39.8319 23.3651 -4.07151 19.2626 8.07065 -60.8318 -5.22901 -61.1725 -14.8464 TIMING: 478600 CPU: 1491.96, 0.00310508/step Wall: 1491.96, 0.00310508/step, 3.89981 hours remaining, 234.816406 MB of memory in use. ENERGY: 478600 3983.2965 20610.9319 14375.8555 270.1744 -203214.4493 3012.8572 0.0000 0.0000 52183.4570 -108777.8769 299.8990 -160961.3339 -108420.1707 299.9763 65.3983 104.5314 762475.1130 10.8222 11.0187 PRESSURE: 478800 275.68 240.579 195.488 240.579 -120.423 -280.025 195.487 -280.025 -147.871 GPRESSURE: 478800 261.203 183.523 166.158 186.842 -63.9618 -279.757 190.649 -230.924 -109.807 PRESSAVG: 478800 -13.693 29.5031 -70.404 29.5031 36.6646 -29.2016 -70.404 -29.2015 17.9035 GPRESSAVG: 478800 -16.4649 29.6237 -71.3332 28.1463 38.08 -30.9946 -71.9281 -29.3699 18.6214 TIMING: 478800 CPU: 1492.58, 0.00311537/step Wall: 1492.58, 0.00311537/step, 3.91256 hours remaining, 234.816406 MB of memory in use. ENERGY: 478800 3909.9033 20476.2785 14465.8595 240.9730 -202938.4749 2729.9129 0.0000 0.0000 52287.5032 -108828.0446 300.4970 -161115.5478 -108467.6634 299.4534 2.4618 29.1448 763968.9967 13.6250 13.4122 PRESSURE: 479000 28.4141 51.8693 -139.568 51.869 196.316 -133.849 -139.568 -133.848 -307.258 GPRESSURE: 479000 54.6971 117.845 -166.067 79.4617 186.588 -81.9658 -114.097 -77.6828 -257.956 PRESSAVG: 479000 -5.17839 13.666 33.3789 13.666 6.96793 16.5783 33.3789 16.5784 45.7073 GPRESSAVG: 479000 -2.58016 13.4618 30.8152 15.9939 6.5484 17.0507 37.2651 16.3586 43.3641 TIMING: 479000 CPU: 1493.21, 0.00312483/step Wall: 1493.21, 0.00312483/step, 3.92427 hours remaining, 234.816406 MB of memory in use. ENERGY: 479000 4046.8771 20535.7353 14434.2982 222.6377 -203229.0524 2933.6169 0.0000 0.0000 52032.9077 -109022.9795 299.0338 -161055.8871 -108660.3683 299.4787 -27.5093 -5.5570 763801.6064 15.8323 15.7775 PRESSURE: 479200 -298.732 252.744 -164.476 252.744 -275.311 -77.2963 -164.476 -77.296 -119.408 GPRESSURE: 479200 -141.981 227.19 -139.312 326.659 -257.078 -74.213 -218.156 -97.8904 -175.659 PRESSAVG: 479200 -4.65888 -19.2548 -31.4751 -19.2549 32.5025 16.6221 -31.4752 16.622 35.5992 GPRESSAVG: 479200 -4.76355 -19.6702 -29.9067 -20.0825 31.5307 16.3019 -32.7809 15.5929 36.895 TIMING: 479200 CPU: 1493.84, 0.0031376/step Wall: 1493.84, 0.0031376/step, 3.94013 hours remaining, 234.816406 MB of memory in use. ENERGY: 479200 3910.2768 20649.2733 14398.6958 240.8129 -203262.2409 2950.3217 0.0000 0.0000 52130.8310 -108982.0293 299.5966 -161112.8604 -108614.4197 299.1154 -231.1503 -191.5725 764156.7379 21.1476 21.2207 PRESSURE: 479400 -66.6826 -194.77 -72.8262 -194.77 -237.062 -84.7597 -72.8256 -84.7601 -152.746 GPRESSURE: 479400 16.211 -174.678 -64.5289 -78.9892 -237.843 5.04385 -8.96447 -58.2198 -146.612 PRESSAVG: 479400 65.0608 24.341 31.1387 24.3409 -69.8178 -8.64463 31.1386 -8.64462 -7.78064 GPRESSAVG: 479400 65.5085 23.513 30.8815 27.5257 -69.4864 -8.13449 29.3089 -7.11592 -8.49761 TIMING: 479400 CPU: 1494.46, 0.00314531/step Wall: 1494.46, 0.00314531/step, 3.94963 hours remaining, 234.816406 MB of memory in use. ENERGY: 479400 4027.5910 20578.2539 14394.7143 242.5221 -203371.9788 2961.6962 0.0000 0.0000 51964.0526 -109203.1486 298.6381 -161167.2012 -108842.5134 298.9103 -152.1635 -122.7480 765465.2905 -4.1792 -4.1585 PRESSURE: 479600 -290.596 110.259 -164.553 110.259 -51.3433 188.566 -164.552 188.564 103.465 GPRESSURE: 479600 -192.459 160.742 -173.165 178.828 -89.9667 133.292 -80.656 130.864 118.94 PRESSAVG: 479600 -36.5278 -15.792 43.2989 -15.792 9.14496 7.84941 43.2989 7.84937 -9.95048 GPRESSAVG: 479600 -37.4029 -16.1309 44.6544 -17.1466 8.56603 7.78604 44.4531 6.14146 -9.06044 TIMING: 479600 CPU: 1495.09, 0.003111/step Wall: 1495.09, 0.003111/step, 3.90638 hours remaining, 234.816406 MB of memory in use. ENERGY: 479600 4003.0017 20464.4789 14382.6592 258.7427 -202584.9629 2541.3873 0.0000 0.0000 51724.7304 -109209.9628 297.2627 -160934.6932 -108861.7857 298.2420 -79.4912 -54.4953 766494.1453 -12.4445 -12.6325 PRESSURE: 479800 -72.9517 99.4581 37.6258 99.4585 54.9834 179.181 37.6262 179.181 -293.191 GPRESSURE: 479800 -30.4911 86.0438 71.9593 -85.7616 93.1733 243.506 55.9009 22.8529 -295.99 PRESSAVG: 479800 -16.2334 -0.127195 -26.3292 -0.127107 -44.1876 15.0778 -26.3292 15.0778 10.289 GPRESSAVG: 479800 -15.3129 1.46899 -29.5643 -2.95089 -45.1943 14.8039 -25.6064 14.7459 10.8202 TIMING: 479800 CPU: 1495.71, 0.00310543/step Wall: 1495.71, 0.00310543/step, 3.89921 hours remaining, 234.816406 MB of memory in use. ENERGY: 479800 3974.3775 20664.3412 14412.2484 270.4586 -203750.6604 3148.0144 0.0000 0.0000 52120.7710 -109160.4493 299.5388 -161281.2204 -108808.5350 298.9169 -103.7197 -77.7694 764182.7583 -16.7107 -16.5623 PRESSURE: 480000 -69.0098 -199.358 -68.5175 -199.358 197.531 219.858 -68.5179 219.857 -51.3951 GPRESSURE: 480000 -20.0873 -238.525 -61.0408 -251.684 230.376 267.883 -1.39776 131.189 -45.1151 PRESSAVG: 480000 13.4338 -33.0238 6.66559 -33.0237 18.6511 -47.752 6.66564 -47.752 -14.9244 GPRESSAVG: 480000 13.783 -35.8832 10.6405 -31.9359 19.1032 -46.4966 6.47529 -45.3966 -15.5171 TIMING: 480000 CPU: 1496.33, 0.00310463/step Wall: 1496.33, 0.00310463/step, 3.89804 hours remaining, 234.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 480000 3911.2714 20446.0167 14440.8929 234.3544 -203273.7435 2804.3639 0.0000 0.0000 52340.1161 -109096.7282 300.7994 -161436.8442 -108744.5983 298.9768 25.7086 55.0580 763511.3051 5.7201 5.7897 PRESSURE: 480200 -69.199 141.95 -214.718 141.95 -112.163 -203.777 -214.717 -203.776 201.842 GPRESSURE: 480200 -30.8042 123.34 -180.851 138.29 -105.461 -228.736 -108.424 -133.627 218.503 PRESSAVG: 480200 6.54715 -46.6514 6.30775 -46.6515 -11.59 16.1389 6.30781 16.139 12.6407 GPRESSAVG: 480200 5.69556 -45.0524 6.62864 -46.5554 -10.8973 15.9868 5.18 15.3314 12.7492 TIMING: 480200 CPU: 1496.95, 0.00310753/step Wall: 1496.95, 0.00310753/step, 3.9015 hours remaining, 234.816406 MB of memory in use. ENERGY: 480200 3973.2219 20597.2715 14453.6345 229.8450 -203147.7443 2984.9330 0.0000 0.0000 51789.8945 -109118.9439 297.6372 -160908.8384 -108765.4099 298.7270 6.8265 27.4127 764441.8110 2.5326 2.5158 LDB: ============= START OF LOAD BALANCING ============== 1509.43 LDB: ============== END OF LOAD BALANCING =============== 1509.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1509.43 LDB: ============= START OF LOAD BALANCING ============== 1509.74 LDB: Largest compute 7010 load 0.032747 is 16.8% of average load 0.194939 LDB: Average compute 0.004367 is 2.2% of average load 0.194939 LDB: TIME 1509.75 LOAD: AVG 0.194939 MAX 0.216286 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.617 MB LDB: TIME 1509.75 LOAD: AVG 0.194939 MAX 0.216286 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.617 MB LDB: TIME 1509.75 LOAD: AVG 0.194939 MAX 0.216286 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.617 MB LDB: ============== END OF LOAD BALANCING =============== 1509.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 1509.76 Info: useSync: 0 useProxySync: 0 PRESSURE: 480400 -59.8252 -31.1208 -89.8431 -31.1194 115.859 -40.2102 -89.8427 -40.2113 286.284 GPRESSURE: 480400 32.6877 58.4885 -40.6238 51.8883 170.187 -73.392 -58.9144 40.7136 256.366 PRESSAVG: 480400 18.3954 -40.7819 -14.5303 -40.7818 -22.6066 -3.35368 -14.5304 -3.35363 -13.3323 GPRESSAVG: 480400 19.2866 -40.8547 -17.2573 -42.5749 -22.2454 -3.35131 -14.6968 -4.10807 -13.9414 TIMING: 480400 CPU: 1497.59, 0.00319703/step Wall: 1497.59, 0.00319703/step, 4.01369 hours remaining, 234.878906 MB of memory in use. ENERGY: 480400 3894.0802 20513.6149 14384.0838 260.6583 -202797.1587 2660.4351 0.0000 0.0000 52065.1088 -109019.1776 299.2189 -161084.2865 -108648.3245 299.2070 114.1059 153.0804 763103.5301 -5.8478 -5.6334 PRESSURE: 480600 -123.328 38.1082 -41.4021 38.108 277.497 -66.5112 -41.4023 -66.5112 28.6769 GPRESSURE: 480600 -121.168 33.5021 45.4967 152.259 327.377 -50.7822 -50.821 139.954 53.444 PRESSAVG: 480600 -27.5999 6.62069 -41.6225 6.62071 4.04648 24.9614 -41.6225 24.9615 11.4426 GPRESSAVG: 480600 -28.1307 8.42187 -40.7302 8.88067 3.29586 24.4817 -41.1145 26.2775 12.8768 TIMING: 480600 CPU: 1498.22, 0.00315047/step Wall: 1498.22, 0.00315047/step, 3.95507 hours remaining, 234.878906 MB of memory in use. ENERGY: 480600 3969.8855 20507.8846 14384.4756 242.9386 -203038.7004 2746.4832 0.0000 0.0000 52003.5673 -109183.4656 298.8652 -161187.0329 -108815.3887 299.1085 60.9487 86.5509 762752.1008 -4.0369 -3.9860 PRESSURE: 480800 42.7125 25.2617 -205.52 25.2615 106.54 173.764 -205.52 173.762 88.1361 GPRESSURE: 480800 117.522 -4.7051 -222.223 10.3197 44.2789 129.846 -110.981 120.604 160.836 PRESSAVG: 480800 29.569 38.6416 -50.7419 38.6416 -26.705 -9.55304 -50.7418 -9.55303 -2.34732 GPRESSAVG: 480800 29.9562 36.6061 -50.7411 38.6217 -26.0725 -9.2055 -51.9531 -11.9033 -2.89439 TIMING: 480800 CPU: 1498.84, 0.00311717/step Wall: 1498.84, 0.00311717/step, 3.91309 hours remaining, 234.878906 MB of memory in use. ENERGY: 480800 3999.5780 20527.7424 14432.5433 240.6873 -203291.6865 2795.7966 0.0000 0.0000 51928.2271 -109367.1118 298.4322 -161295.3389 -109002.4347 298.8365 79.1294 107.5458 763377.8529 0.1722 0.3298 PRESSURE: 481000 -158.728 153.126 193.265 153.127 -14.3252 -79.9711 193.264 -79.97 466.505 GPRESSURE: 481000 -198.784 214.104 133.269 246.943 52.8018 -38.2049 258.094 -107.038 519.375 PRESSAVG: 481000 -15.655 38.9887 24.9615 38.9886 33.3804 -12.949 24.9614 -12.9489 -12.581 GPRESSAVG: 481000 -17.04 38.5844 25.4067 37.5431 35.2381 -13.0354 23.8942 -12.6972 -12.9766 TIMING: 481000 CPU: 1499.47, 0.00312248/step Wall: 1499.47, 0.00312248/step, 3.91958 hours remaining, 234.878906 MB of memory in use. ENERGY: 481000 3932.1175 20498.2372 14407.1635 239.8224 -203055.8840 2505.7357 0.0000 0.0000 52123.3528 -109349.4548 299.5536 -161472.8076 -108991.0213 298.5890 97.8172 124.4641 762323.3712 1.7148 1.7405 PRESSURE: 481200 93.8522 88.328 -41.1621 88.3287 -13.0089 34.3725 -41.1628 34.3729 200.232 GPRESSURE: 481200 127.587 26.838 31.4672 73.4836 31.7561 -1.32988 -7.48729 135.614 223.437 PRESSAVG: 481200 33.0632 29.1791 26.8985 29.1791 -19.0268 -35.3892 26.8985 -35.3893 -6.3749 GPRESSAVG: 481200 32.9811 29.6885 25.5874 29.2618 -20.7197 -36.1207 28.2993 -34.2113 -4.9335 TIMING: 481200 CPU: 1500.09, 0.00311653/step Wall: 1500.09, 0.00311653/step, 3.91193 hours remaining, 234.878906 MB of memory in use. ENERGY: 481200 3944.4002 20489.8057 14411.9854 257.8507 -203170.9976 2638.7557 0.0000 0.0000 52058.9985 -109369.2015 299.1838 -161428.1999 -109007.5012 299.0397 93.6916 127.5934 761112.7962 2.5538 2.4426 PRESSURE: 481400 140.703 130.041 -94.1488 130.041 71.1819 -107.855 -94.149 -107.855 20.3076 GPRESSURE: 481400 135.34 111.716 -76.0759 44.8784 125.507 -101.548 -48.8135 -47.7441 74.1999 PRESSAVG: 481400 0.409175 78.8364 25.7144 78.8364 -18.2319 -9.37221 25.7144 -9.37223 0.988137 GPRESSAVG: 481400 0.950437 79.2122 26.0431 79.8421 -18.2293 -7.95696 25.5555 -9.70149 0.681318 TIMING: 481400 CPU: 1500.71, 0.00311158/step Wall: 1500.71, 0.00311158/step, 3.90555 hours remaining, 234.878906 MB of memory in use. ENERGY: 481400 3939.8009 20344.4502 14428.8074 243.2442 -203445.8640 2972.1515 0.0000 0.0000 52278.3091 -109239.1007 300.4442 -161517.4098 -108876.9988 298.1760 77.3974 111.6824 761237.4652 -5.6115 -5.5325 PRESSURE: 481600 96.2756 97.7316 -24.3734 97.7316 45.2315 210.766 -24.3735 210.766 -89.7264 GPRESSURE: 481600 66.1637 88.6321 -92.6049 95.8358 50.1535 143.366 -18.1939 260.476 6.6502 PRESSAVG: 481600 -19.6888 51.9137 -27.5297 51.9137 42.8156 7.59782 -27.5297 7.59769 13.7009 GPRESSAVG: 481600 -19.1472 51.8083 -26.8209 52.4057 42.3108 6.72059 -25.4871 6.9411 13.1359 TIMING: 481600 CPU: 1501.34, 0.00311012/step Wall: 1501.34, 0.00311012/step, 3.90355 hours remaining, 234.878906 MB of memory in use. ENERGY: 481600 4047.3942 20479.7425 14366.1889 261.9645 -203162.2733 2893.1019 0.0000 0.0000 51652.1099 -109461.7715 296.8454 -161113.8813 -109112.9523 298.2105 17.2602 40.9891 763698.6480 12.2759 12.0999 PRESSURE: 481800 -112.314 0.0268001 33.0521 0.0268611 285.219 80.086 33.0531 80.0856 34.33 GPRESSURE: 481800 -76.9819 -91.9306 25.6937 50.8607 315.498 95.5021 38.6476 66.4767 48.9286 PRESSAVG: 481800 -69.8738 41.3156 -31.9062 41.3156 27.1969 -3.82221 -31.9061 -3.82223 -5.0292 GPRESSAVG: 481800 -69.9716 40.7199 -33.2527 40.729 28.8143 -2.52016 -34.181 -3.5309 -6.24255 TIMING: 481800 CPU: 1501.96, 0.00310408/step Wall: 1501.96, 0.00310408/step, 3.89579 hours remaining, 234.878906 MB of memory in use. ENERGY: 481800 3974.8214 20562.4092 14372.5933 252.0322 -203460.2168 3138.6426 0.0000 0.0000 51799.6212 -109360.0968 297.6931 -161159.7180 -109010.0678 297.7184 69.0785 95.8150 763639.0977 -15.9020 -15.8000 PRESSURE: 482000 -204.425 31.1724 10.3774 31.1719 238.63 -34.1846 10.3774 -34.1844 127.092 GPRESSURE: 482000 -221.515 -23.7168 -4.12024 -52.4183 322.246 -18.5678 -122.42 26.7023 151.309 PRESSAVG: 482000 -76.7688 -23.0851 -15.3489 -23.0851 42.3694 41.754 -15.3489 41.754 17.8023 GPRESSAVG: 482000 -77.1694 -22.9142 -14.027 -21.3799 41.8747 41.4849 -14.3597 42.1243 18.9447 TIMING: 482000 CPU: 1502.58, 0.00310828/step Wall: 1502.58, 0.00310828/step, 3.90089 hours remaining, 234.878906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 482000 4009.6864 20371.8464 14380.8584 243.3786 -203397.2864 3059.4727 0.0000 0.0000 52062.2643 -109269.7796 299.2025 -161332.0439 -108899.1857 298.4302 53.7657 84.0134 764197.0691 -5.5323 -5.4500 PRESSURE: 482200 -223.479 117.24 -147.086 117.241 15.4079 -123.181 -147.085 -123.183 -215.614 GPRESSURE: 482200 -322.828 241.357 -80.1695 127.564 167.979 -191.448 -242.175 -58.9195 -179.212 PRESSAVG: 482200 10.7679 -8.96211 23.1393 -8.96212 -1.29607 -9.35109 23.1393 -9.35106 -32.275 GPRESSAVG: 482200 10.3525 -6.94532 22.4464 -12.7237 -1.00989 -11.4767 20.8527 -7.63327 -32.2015 TIMING: 482200 CPU: 1503.2, 0.00311928/step Wall: 1503.2, 0.00311928/step, 3.91452 hours remaining, 234.878906 MB of memory in use. ENERGY: 482200 3982.3631 20503.8711 14355.4750 249.2975 -203250.8822 2925.3320 0.0000 0.0000 51941.1614 -109293.3820 298.5066 -161234.5434 -108929.5385 299.0216 -141.2282 -111.3539 764229.4147 -7.6011 -7.6196 PRESSURE: 482400 1.27562 -189.951 -152.168 -189.951 -206.733 87.8097 -152.169 87.8097 25.4963 GPRESSURE: 482400 40.9923 -168.932 -140.443 -101.498 -204.147 131.124 -150.226 52.1215 75.614 PRESSAVG: 482400 -38.9162 -29.1994 -32.0601 -29.1995 53.2752 38.8605 -32.0601 38.8605 15.9372 GPRESSAVG: 482400 -39.1549 -29.2491 -31.1687 -25.5763 53.1078 40.2096 -29.8425 36.5802 15.9015 TIMING: 482400 CPU: 1503.82, 0.00311111/step Wall: 1503.82, 0.00311111/step, 3.90409 hours remaining, 234.878906 MB of memory in use. ENERGY: 482400 3976.1574 20617.4939 14401.2390 254.9451 -203200.9523 2715.8218 0.0000 0.0000 51919.5388 -109315.7562 298.3823 -161235.2951 -108962.5481 298.8281 -59.9871 -29.1802 763252.0437 10.0987 9.9515 PRESSURE: 482600 -136.034 128.482 -173.194 128.482 -222.867 -93.6831 -173.194 -93.6826 54.955 GPRESSURE: 482600 -9.33782 99.9111 -63.7946 120.832 -329.79 -118.298 -233.795 56.3856 124.65 PRESSAVG: 482600 14.6038 -24.1177 3.09692 -24.1177 -10.4256 36.7722 3.09692 36.7723 -2.669 GPRESSAVG: 482600 15.4403 -24.2737 3.02741 -24.5084 -10.5426 35.37 4.06288 38.3323 -2.96033 TIMING: 482600 CPU: 1504.44, 0.00310031/step Wall: 1504.44, 0.00310031/step, 3.89037 hours remaining, 234.878906 MB of memory in use. ENERGY: 482600 4031.7499 20411.2238 14319.0464 260.0440 -203652.4770 3099.9591 0.0000 0.0000 51927.9042 -109602.5496 298.4304 -161530.4538 -109244.5081 298.5029 -101.3152 -71.4927 763214.4364 0.5031 0.6458 PRESSURE: 482800 -118.522 165.897 -50.878 165.897 -247.509 233.785 -50.8778 233.784 -524.417 GPRESSURE: 482800 -111.872 242.791 44.3827 68.5082 -328.552 228.983 -56.1637 145.476 -387.496 PRESSAVG: 482800 -49.7502 -6.11574 -11.7697 -6.11579 12.994 42.5992 -11.7697 42.5993 19.0912 GPRESSAVG: 482800 -49.4962 -7.51336 -11.4332 -6.9675 10.6082 46.0128 -14.8174 39.0069 20.3743 TIMING: 482800 CPU: 1505.06, 0.00309094/step Wall: 1505.06, 0.00309094/step, 3.87844 hours remaining, 234.878906 MB of memory in use. ENERGY: 482800 3991.5378 20362.6119 14396.8209 237.1843 -203224.6048 2834.6186 0.0000 0.0000 52003.1452 -109398.6861 298.8628 -161401.8313 -109035.2582 297.7075 -296.8160 -275.9734 765997.8114 -5.8883 -6.1713 PRESSURE: 483000 66.8458 10.3917 -205.713 10.3913 -396.211 -217.9 -205.713 -217.9 -54.1834 GPRESSURE: 483000 39.5406 70.9057 -96.6728 60.211 -261.53 -123.943 -163.273 -111.61 -81.5676 PRESSAVG: 483000 -18.6972 -3.46954 -23.8827 -3.4695 -1.74703 38.6378 -23.8827 38.6377 5.46497 GPRESSAVG: 483000 -18.4738 -2.06558 -23.3289 -2.98471 -0.0788444 37.1446 -22.1558 41.9947 4.22132 TIMING: 483000 CPU: 1505.69, 0.00311615/step Wall: 1505.69, 0.00311615/step, 3.90991 hours remaining, 234.878906 MB of memory in use. ENERGY: 483000 3989.2172 20462.0606 14347.0709 239.4021 -203211.2697 2824.2309 0.0000 0.0000 52003.8109 -109345.4772 298.8666 -161349.2881 -108987.4555 298.1211 -127.8494 -101.1856 764700.7395 -4.9931 -4.7771 PRESSURE: 483200 -147.591 -74.4669 -94.4441 -74.4672 -17.2238 30.1215 -94.444 30.1205 -22.4129 GPRESSURE: 483200 -169.903 -32.4364 -62.761 -90.3595 55.207 20.7261 -93.0598 22.1095 11.8211 PRESSAVG: 483200 59.07 -33.8603 -15.4212 -33.8603 -41.0029 -44.852 -15.4212 -44.8522 -8.56434 GPRESSAVG: 483200 57.6215 -35.1177 -16.987 -35.9882 -40.0087 -45.5052 -15.4229 -43.9038 -8.12463 TIMING: 483200 CPU: 1506.31, 0.00311353/step Wall: 1506.31, 0.00311353/step, 3.90644 hours remaining, 234.878906 MB of memory in use. ENERGY: 483200 3920.5437 20584.5168 14332.0271 245.1007 -203256.4358 2809.6507 0.0000 0.0000 51707.8326 -109656.7642 297.1656 -161364.5968 -109296.0248 297.7656 -62.4093 -34.2917 764757.2933 3.1676 3.1627 PRESSURE: 483400 162.994 -46.1648 -170.207 -46.1657 182.147 177.466 -170.206 177.466 212.466 GPRESSURE: 483400 195.632 -49.3874 -39.2877 -85.151 251.043 200.066 -193.247 163.33 175.274 PRESSAVG: 483400 -35.3233 -9.18136 6.29933 -9.18141 8.46607 13.5675 6.2993 13.5676 20.8993 GPRESSAVG: 483400 -35.4956 -8.5313 6.81142 -9.20645 8.65973 13.9699 5.24189 12.8955 20.084 TIMING: 483400 CPU: 1506.93, 0.00313194/step Wall: 1506.93, 0.00313194/step, 3.92937 hours remaining, 234.878906 MB of memory in use. ENERGY: 483400 3936.8661 20672.3980 14384.2172 236.1843 -203356.9737 2821.0606 0.0000 0.0000 51790.6938 -109515.5537 297.6418 -161306.2476 -109159.6264 297.8461 185.8691 207.3163 762101.4421 -1.9860 -2.2506 PRESSURE: 483600 -67.8595 -85.4528 57.0356 -85.4525 -298.922 -259.639 57.0362 -259.638 194.237 GPRESSURE: 483600 -94.0483 -48.0387 93.5623 -150.502 -214.713 -343.617 58.6682 -155.258 239.742 PRESSAVG: 483600 24.4205 3.23834 18.2874 3.23837 -12.8059 36.937 18.2874 36.937 13.8715 GPRESSAVG: 483600 25.1006 2.52234 19.4721 4.49363 -13.7624 36.1117 19.8162 36.2739 14.0994 TIMING: 483600 CPU: 1507.56, 0.00311006/step Wall: 1507.56, 0.00311006/step, 3.90174 hours remaining, 234.878906 MB of memory in use. ENERGY: 483600 3983.7909 20371.1983 14438.7620 256.5027 -203406.6241 3042.0993 0.0000 0.0000 51587.3164 -109726.9544 296.4730 -161314.2708 -109374.4237 297.8131 -57.5147 -23.0063 763472.4041 8.4954 8.4792 PRESSURE: 483800 -176.401 -19.999 -19.9221 -19.9991 -81.0468 135.44 -19.9216 135.44 -840.205 GPRESSURE: 483800 -207.035 70.8846 -53.8408 -136.025 -35.891 167.74 -22.4207 180.078 -763.871 PRESSAVG: 483800 3.47529 -48.4754 28.2449 -48.4754 -23.7497 34.4029 28.2449 34.403 6.21068 GPRESSAVG: 483800 4.10167 -49.3316 26.4744 -47.2002 -23.8784 33.9193 26.8142 33.816 5.96161 TIMING: 483800 CPU: 1508.18, 0.00309932/step Wall: 1508.18, 0.00309932/step, 3.88809 hours remaining, 234.878906 MB of memory in use. ENERGY: 483800 4004.3847 20270.5273 14414.6082 264.1689 -203209.2720 2598.2850 0.0000 0.0000 51775.3023 -109881.9957 297.5534 -161657.2980 -109516.8718 297.3668 -365.8842 -335.5991 763243.7285 -4.6879 -4.6050 PRESSURE: 484000 119.093 -150.195 7.47686 -150.195 157.526 98.6678 7.4763 98.6682 87.4674 GPRESSURE: 484000 178.802 -145.814 42.8079 -182.6 145.625 -35.1937 -90.9949 129.366 119.456 PRESSAVG: 484000 16.8964 -6.91917 -0.387292 -6.91911 -11.0865 1.33887 -0.387343 1.33888 -2.7248 GPRESSAVG: 484000 17.0839 -6.16897 -1.18771 -8.02732 -11.6522 2.01903 0.0908379 0.160696 -1.90919 TIMING: 484000 CPU: 1508.8, 0.0031076/step Wall: 1508.8, 0.0031076/step, 3.89831 hours remaining, 234.878906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 484000 3934.2684 20450.9125 14350.5126 257.6846 -203691.5610 3193.7556 0.0000 0.0000 51688.4033 -109816.0238 297.0540 -161504.4271 -109459.9329 297.0625 121.3621 147.9610 763160.6857 1.0284 1.1742 PRESSURE: 484200 -362.189 -9.16562 -22.5741 -9.16597 197.002 48.8285 -22.5737 48.829 714.217 GPRESSURE: 484200 -280.233 13.1919 46.4824 170.87 244.465 72.7047 87.7225 68.153 662.848 PRESSAVG: 484200 -26.6405 -30.1232 -57.543 -30.1232 -10.8714 30.8531 -57.543 30.853 -11.2549 GPRESSAVG: 484200 -26.171 -31.3654 -55.5125 -28.4773 -10.6193 31.8057 -56.9534 30.1167 -12.66 TIMING: 484200 CPU: 1509.42, 0.00310912/step Wall: 1509.42, 0.00310912/step, 3.90005 hours remaining, 234.878906 MB of memory in use. ENERGY: 484200 3973.7704 20354.8473 14411.1284 259.4209 -203480.4634 3183.6518 0.0000 0.0000 51546.1621 -109751.4823 296.2365 -161297.6445 -109403.3200 297.1965 183.0102 209.0266 761139.2408 -16.2556 -16.4834 LDB: ============= START OF LOAD BALANCING ============== 1521.9 LDB: ============== END OF LOAD BALANCING =============== 1521.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1521.9 LDB: ============= START OF LOAD BALANCING ============== 1522.21 LDB: Largest compute 7052 load 0.031494 is 16.2% of average load 0.194898 LDB: Average compute 0.004354 is 2.2% of average load 0.194898 LDB: TIME 1522.21 LOAD: AVG 0.194898 MAX 0.217674 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.145 MB LDB: TIME 1522.21 LOAD: AVG 0.194898 MAX 0.217674 PROXIES: TOTAL 1224 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.145 MB LDB: TIME 1522.21 LOAD: AVG 0.194898 MAX 0.21656 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.145 MB LDB: ============== END OF LOAD BALANCING =============== 1522.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1522.22 PRESSURE: 484400 -257.364 -15.6932 -79.6565 -15.6932 -157.14 4.67198 -79.6563 4.6716 92.2575 GPRESSURE: 484400 -246.955 101.362 -70.0345 79.7321 -63.4577 -47.8173 -150.575 4.43992 76.484 PRESSAVG: 484400 -21.9833 -43.8778 -30.983 -43.8777 1.93842 -20.3688 -30.983 -20.3688 7.68529 GPRESSAVG: 484400 -23.7811 -42.0624 -31.6894 -43.0136 2.71036 -22.112 -31.4663 -18.057 8.72785 TIMING: 484400 CPU: 1510.05, 0.00317444/step Wall: 1510.05, 0.00317444/step, 3.98181 hours remaining, 235.015625 MB of memory in use. ENERGY: 484400 3920.6353 20475.9648 14451.3613 243.4881 -203304.0765 2671.4755 0.0000 0.0000 52070.4050 -109470.7465 299.2493 -161541.1516 -109105.5012 297.9861 -107.4156 -77.9762 763312.7312 -4.1198 -4.1143 PRESSURE: 484600 288.411 271.233 78.3407 271.233 -126.737 -156.394 78.3408 -156.393 -214.849 GPRESSURE: 484600 235.928 192.683 78.4343 23.6274 -23.0387 -75.7976 140.85 -122.931 -192.624 PRESSAVG: 484600 7.61283 -16.2148 59.3602 -16.2149 12.8259 -41.7962 59.3601 -41.7961 -0.410837 GPRESSAVG: 484600 7.21087 -16.3908 58.8509 -18.7427 13.6639 -40.2709 57.7072 -41.3044 -1.4859 TIMING: 484600 CPU: 1510.68, 0.00310685/step Wall: 1510.68, 0.00310685/step, 3.89686 hours remaining, 235.218750 MB of memory in use. ENERGY: 484600 3993.4439 20589.1442 14431.2001 223.4519 -203137.3233 2719.6217 0.0000 0.0000 51622.5193 -109557.9422 296.6753 -161180.4616 -109204.3178 298.0215 -17.7249 6.7551 762791.5721 6.6760 6.4630 PRESSURE: 484800 -255.111 -130.183 -64.2901 -130.183 -342.539 -133.335 -64.2903 -133.335 -201.722 GPRESSURE: 484800 -199.892 -185.881 4.58085 -149.401 -392.23 -128.278 -58.9531 -33.4716 -106.055 PRESSAVG: 484800 27.994 -5.76647 68.029 -5.76648 -43.3825 19.5564 68.029 19.5564 -19.4018 GPRESSAVG: 484800 29.6834 -7.97851 68.0655 -4.86043 -45.6331 20.035 68.2778 15.6286 -18.5362 TIMING: 484800 CPU: 1511.3, 0.00310072/step Wall: 1511.3, 0.00310072/step, 3.88899 hours remaining, 235.218750 MB of memory in use. ENERGY: 484800 4060.5901 20262.1940 14420.0354 257.2674 -203148.4295 2813.8215 0.0000 0.0000 51661.6526 -109672.8685 296.9002 -161334.5211 -109320.5191 297.6270 -266.4574 -232.7257 763910.6327 -11.5968 -11.4953 PRESSURE: 485000 341.334 71.6519 59.8453 71.652 20.534 -60.7094 59.8447 -60.7093 -239.447 GPRESSURE: 485000 318.63 27.1672 135.772 76.563 -5.12084 4.81368 130.461 23.3326 -118.005 PRESSAVG: 485000 -28.2679 -41.2543 49.9227 -41.2544 32.7546 0.0519356 49.9227 0.0519128 -7.45597 GPRESSAVG: 485000 -29.7762 -40.9903 50.2127 -41.6451 32.582 0.346955 51.9112 3.03329 -5.90497 TIMING: 485000 CPU: 1511.92, 0.00311937/step Wall: 1511.92, 0.00311937/step, 3.91221 hours remaining, 235.218750 MB of memory in use. ENERGY: 485000 3972.1861 20402.3809 14430.1059 235.8366 -203469.4565 2916.5519 0.0000 0.0000 51813.4758 -109698.9193 297.7728 -161512.3951 -109346.6582 297.2753 40.8071 65.1681 763617.6165 -0.9897 -1.0331 PRESSURE: 485200 -231.772 -210.486 128.95 -210.486 -137.662 -97.4499 128.95 -97.4502 -160.041 GPRESSURE: 485200 -244.051 -185.278 84.7656 -129.581 -113.54 -78.1733 -126.909 15.1716 -86.8758 PRESSAVG: 485200 23.0951 -26.0388 35.2437 -26.0388 3.84996 51.8101 35.2436 51.8101 6.57427 GPRESSAVG: 485200 24.1718 -24.0703 35.047 -27.0182 3.79263 52.3272 34.185 50.5825 5.19805 TIMING: 485200 CPU: 1512.54, 0.00311543/step Wall: 1512.54, 0.00311543/step, 3.90709 hours remaining, 235.218750 MB of memory in use. ENERGY: 485200 4010.6138 20153.9765 14401.7983 254.3880 -203104.2302 2766.0662 0.0000 0.0000 51936.4935 -109580.8940 298.4797 -161517.3875 -109214.7418 297.1936 -176.4918 -148.1554 763814.1122 11.1731 11.0542 PRESSURE: 485400 -253.518 77.0226 39.1718 77.0236 -96.008 -54.3063 39.1725 -54.3064 -304.784 GPRESSURE: 485400 -206.902 127.084 18.8248 134.554 -87.7396 -142.481 90.1683 -41.3448 -262.386 PRESSAVG: 485400 29.2071 -65.9516 51.0926 -65.9516 18.7118 14.7951 51.0926 14.7951 -3.94671 GPRESSAVG: 485400 28.8628 -65.6719 52.2128 -66.2405 18.86 14.4226 48.2588 15.5563 -4.0784 TIMING: 485400 CPU: 1513.16, 0.00310997/step Wall: 1513.16, 0.00310997/step, 3.90008 hours remaining, 235.218750 MB of memory in use. ENERGY: 485400 3982.0327 20185.5201 14399.8527 226.6911 -203248.0401 3011.8040 0.0000 0.0000 51803.0299 -109639.1096 297.7127 -161442.1396 -109264.6979 297.8808 -218.1034 -185.6760 765117.1388 14.6574 14.5481 PRESSURE: 485600 79.6729 -85.8373 -109.766 -85.8382 -245.114 -71.5384 -109.766 -71.5385 -98.0825 GPRESSURE: 485600 100.497 -7.11602 13.7323 -37.3836 -235.516 -83.656 -108.707 -129.122 -43.4676 PRESSAVG: 485600 44.0744 -7.75298 -10.2873 -7.75301 -4.54795 -5.26036 -10.2873 -5.26034 9.1527 GPRESSAVG: 485600 44.7069 -7.65007 -11.9796 -7.74033 -5.48811 -4.90234 -7.02036 -5.65288 9.12047 TIMING: 485600 CPU: 1513.79, 0.00310165/step Wall: 1513.79, 0.00310165/step, 3.88947 hours remaining, 235.218750 MB of memory in use. ENERGY: 485600 3998.0931 20181.0481 14357.1447 247.6026 -203153.3800 3013.0495 0.0000 0.0000 51615.4924 -109740.9496 296.6349 -161356.4420 -109384.1556 297.0802 -87.8411 -59.4957 763292.9810 16.2264 16.1131 PRESSURE: 485800 313.055 -210.013 -84.3136 -210.012 -163.959 -230.36 -84.3139 -230.359 -157.301 GPRESSURE: 485800 246.579 -119.324 -135.926 -93.3593 -91.3601 -200.238 -142.719 -304.718 -77.0141 PRESSAVG: 485800 32.0462 -7.18807 -20.9959 -7.1881 -2.41909 4.21909 -20.9958 4.21909 13.7913 GPRESSAVG: 485800 31.6627 -7.46685 -21.2303 -8.59517 -1.06439 5.07124 -22.4613 1.51961 13.5773 TIMING: 485800 CPU: 1514.41, 0.00311015/step Wall: 1514.41, 0.00311015/step, 3.89996 hours remaining, 235.218750 MB of memory in use. ENERGY: 485800 3957.6996 20210.1204 14391.2142 250.6285 -203421.2130 3119.4283 0.0000 0.0000 51901.9128 -109590.2093 298.2810 -161492.1221 -109230.5084 297.1871 -2.7352 26.0684 763678.4228 14.4728 14.7252 PRESSURE: 486000 163.659 -67.0582 4.12957 -67.0574 -17.2646 152.178 4.12907 152.177 -358.946 GPRESSURE: 486000 144.471 -192.592 17.2266 -36.931 55.2119 111.532 38.9267 186.865 -323.643 PRESSAVG: 486000 -17.6389 32.6994 -1.25549 32.6995 18.321 -29.0662 -1.25547 -29.0663 -16.9666 GPRESSAVG: 486000 -16.9916 31.451 -1.00812 35.2877 18.0786 -31.2776 0.901914 -25.1676 -17.6184 TIMING: 486000 CPU: 1515.03, 0.00311356/step Wall: 1515.03, 0.00311356/step, 3.90406 hours remaining, 235.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 486000 3997.2825 20288.7171 14400.1174 244.4583 -203218.8239 3012.6461 0.0000 0.0000 51853.4956 -109422.1070 298.0028 -161275.6026 -109066.1811 298.0048 -70.8505 -41.3202 763427.1292 -5.4282 -5.5105 PRESSURE: 486200 -286.226 17.7873 -76.2908 17.7866 -46.6781 -82.2451 -76.2907 -82.2453 20.4736 GPRESSURE: 486200 -142.148 16.363 -61.9387 -38.1968 -34.1977 -65.1335 -89.3816 -170.736 -51.4581 PRESSAVG: 486200 -26.3961 -5.24323 14.0043 -5.24322 9.73874 -2.93858 14.0043 -2.93853 -1.90516 GPRESSAVG: 486200 -25.5975 -5.39899 13.636 -5.02591 9.56867 -1.18042 13.5921 -5.70284 -2.38495 TIMING: 486200 CPU: 1515.65, 0.0030994/step Wall: 1515.65, 0.0030994/step, 3.88614 hours remaining, 235.218750 MB of memory in use. ENERGY: 486200 3965.0395 20346.9355 14434.7278 259.8748 -202982.5287 2655.8955 0.0000 0.0000 51783.1285 -109536.9271 297.5984 -161320.0556 -109182.1502 298.0332 -104.1436 -75.9345 763016.7100 -6.1875 -6.1379 PRESSURE: 486400 69.1411 -33.0656 181.621 -33.0654 -330.613 142.811 181.62 142.81 -56.4199 GPRESSURE: 486400 119.123 -35.9419 92.3347 21.5526 -278.465 127.933 197.721 147.099 -65.932 PRESSAVG: 486400 12.9552 -12.4332 58.7365 -12.4332 -20.6698 13.1103 58.7364 13.1104 -16.8859 GPRESSAVG: 486400 12.2067 -10.3733 59.82 -13.6401 -21.2503 12.9318 56.1257 15.9936 -16.259 TIMING: 486400 CPU: 1516.27, 0.00310009/step Wall: 1516.27, 0.00310009/step, 3.88683 hours remaining, 235.218750 MB of memory in use. ENERGY: 486400 3968.2054 20335.3442 14423.0078 247.5333 -203098.1427 2668.7534 0.0000 0.0000 51794.4513 -109660.8473 297.6634 -161455.2986 -109290.9780 298.0431 -105.9639 -75.0913 764164.9189 -8.2002 -8.4342 PRESSURE: 486600 -173.946 -285.776 200.781 -285.776 -229.495 -103.411 200.781 -103.41 -50.8628 GPRESSURE: 486600 -68.549 -128.553 283.5 -150.471 -221.687 -60.0423 132.991 -103.577 -95.0607 PRESSAVG: 486600 11.9522 -18.4357 -9.78624 -18.4358 -5.53005 -0.162494 -9.78619 -0.16251 7.84919 GPRESSAVG: 486600 10.4787 -17.5022 -10.3431 -19.1389 -4.9015 0.0326367 -7.31916 -2.18178 7.99547 TIMING: 486600 CPU: 1516.89, 0.00309817/step Wall: 1516.89, 0.00309817/step, 3.88425 hours remaining, 235.218750 MB of memory in use. ENERGY: 486600 3953.8346 20526.0193 14331.4659 234.8770 -203548.5133 3009.8885 0.0000 0.0000 51926.6827 -109565.7452 298.4234 -161492.4279 -109228.4604 297.8547 -151.4346 -128.4324 764214.3506 4.7571 4.5242 PRESSURE: 486800 317.622 -11.681 -193.98 -11.6805 -486.245 -130.972 -193.981 -130.973 -307.308 GPRESSURE: 486800 379.978 -61.1157 -216.015 -57.1018 -470.372 -177.91 -175.681 -6.36609 -291.552 PRESSAVG: 486800 -16.263 -26.2365 14.6817 -26.2365 -28.5223 -30.9513 14.6817 -30.9513 4.29247 GPRESSAVG: 486800 -15.91 -27.8053 14.1418 -24.0504 -28.5698 -32.1237 12.6239 -28.4438 4.48674 TIMING: 486800 CPU: 1517.51, 0.00310123/step Wall: 1517.51, 0.00310123/step, 3.88791 hours remaining, 235.218750 MB of memory in use. ENERGY: 486800 4001.0113 20466.3836 14399.1270 241.1945 -203201.4671 2847.7339 0.0000 0.0000 51781.1019 -109464.9149 297.5867 -161246.0167 -109086.1815 297.8763 -158.6436 -127.3153 765031.6584 -13.4976 -13.3310 PRESSURE: 487000 -272.929 -16.8076 -84.1787 -16.8075 254.146 143.156 -84.1778 143.155 -114.739 GPRESSURE: 487000 -295.668 -139.679 -81.3969 -49.2775 329.544 208.578 -4.05902 184.208 -79.6524 PRESSAVG: 487000 -12.3735 1.41825 3.84253 1.41825 -20.5014 55.6231 3.84252 55.6231 -4.97734 GPRESSAVG: 487000 -10.7702 0.941275 2.84612 1.93347 -21.47 54.8837 6.46289 54.5841 -5.59279 TIMING: 487000 CPU: 1518.13, 0.00310605/step Wall: 1518.13, 0.00310605/step, 3.89378 hours remaining, 235.218750 MB of memory in use. ENERGY: 487000 3906.5327 20520.3807 14446.4138 267.8444 -203604.4117 3158.5611 0.0000 0.0000 51965.4546 -109339.2243 298.6462 -161304.6789 -108972.9917 298.1612 -44.5073 -15.2586 764229.6894 -12.6174 -12.6110 PRESSURE: 487200 -66.752 9.26845 328.463 9.26859 261.685 148.901 328.464 148.902 -247.602 GPRESSURE: 487200 -4.09781 -11.2897 317.863 35.604 261.446 202.27 383.592 114.392 -231.025 PRESSAVG: 487200 -44.2291 5.25433 7.58314 5.2543 75.0726 -2.62113 7.58303 -2.62111 23.9035 GPRESSAVG: 487200 -45.5689 4.60549 7.49837 5.06913 77.079 -2.42021 6.23817 -2.62862 23.7788 TIMING: 487200 CPU: 1518.75, 0.00309646/step Wall: 1518.75, 0.00309646/step, 3.88158 hours remaining, 235.218750 MB of memory in use. ENERGY: 487200 4012.2037 20547.8145 14381.0782 223.6210 -203565.2198 2950.5004 0.0000 0.0000 52089.2844 -109360.7178 299.3578 -161450.0021 -108995.5563 298.1818 -17.5566 8.7743 762644.8427 18.2490 18.4296 PRESSURE: 487400 -168.421 -128.109 37.8699 -128.109 -52.3001 -48.8643 37.8698 -48.8641 -256.322 GPRESSURE: 487400 -140.806 -188.708 -46.0092 -117.475 -46.6356 -3.93054 53.6156 -24.6885 -185.977 PRESSAVG: 487400 -33.619 -34.5752 17.0119 -34.5752 34.0197 19.0584 17.0119 19.0585 -9.14148 GPRESSAVG: 487400 -33.034 -33.3319 17.2956 -35.8736 33.8345 20.6321 20.6397 18.8609 -9.45857 TIMING: 487400 CPU: 1519.37, 0.00309259/step Wall: 1519.37, 0.00309259/step, 3.87656 hours remaining, 235.218750 MB of memory in use. ENERGY: 487400 3989.7294 20600.7294 14401.7681 227.9110 -203341.3236 2946.2312 0.0000 0.0000 51916.8610 -109258.0936 298.3669 -161174.9546 -108901.9824 298.2959 -159.0143 -124.4728 763130.2770 -2.9136 -2.8860 PRESSURE: 487600 124.328 176.18 80.7265 176.179 -32.4151 -15.4044 80.7267 -15.4043 71.3138 GPRESSURE: 487600 178.342 220.804 55.5881 140.606 -34.8585 -37.7846 27.2332 30.7416 89.2448 PRESSAVG: 487600 13.5895 4.04691 6.10163 4.04686 3.07664 -36.6366 6.10166 -36.6366 -3.09274 GPRESSAVG: 487600 13.7141 4.51485 6.28104 4.10659 2.59169 -37.0171 2.91071 -36.9008 -2.46178 TIMING: 487600 CPU: 1519.99, 0.00310818/step Wall: 1519.99, 0.00310818/step, 3.89593 hours remaining, 235.218750 MB of memory in use. ENERGY: 487600 3929.2083 20680.1854 14348.0669 223.1618 -203112.9987 2796.5053 0.0000 0.0000 51967.8368 -109168.0341 298.6599 -161135.8709 -108813.1298 298.6786 54.4088 77.5762 764059.7930 4.5245 4.6147 PRESSURE: 487800 130.857 -29.7283 92.0851 -29.7291 -207.748 -171.354 92.0853 -171.353 18.2934 GPRESSURE: 487800 20.7242 75.2791 199.816 -41.4069 -135.215 -179.603 78.7516 -178.004 145.987 PRESSAVG: 487800 39.8679 39.6543 17.4207 39.6543 -10.3156 -17.6906 17.4207 -17.6907 0.526253 GPRESSAVG: 487800 40.1657 37.5593 18.9928 41.2872 -9.87436 -17.5824 17.0068 -17.1363 0.110065 TIMING: 487800 CPU: 1520.62, 0.00312991/step Wall: 1520.62, 0.00312991/step, 3.923 hours remaining, 235.218750 MB of memory in use. ENERGY: 487800 4009.5454 20431.0396 14382.1605 230.5432 -203395.4049 2901.9314 0.0000 0.0000 52061.6396 -109378.5452 299.1990 -161440.1848 -109008.9258 298.4165 -19.5326 10.4988 761985.8367 10.0262 10.1338 PRESSURE: 488000 -191.955 162.765 106.803 162.765 121.339 89.1142 106.803 89.1144 -90.9967 GPRESSURE: 488000 -231.584 85.5429 114.28 178.897 273.994 125.973 190.956 60.8155 -104.413 PRESSAVG: 488000 -43.5716 37.3841 -35.3145 37.3841 20.1361 -25.5094 -35.3144 -25.5094 13.1906 GPRESSAVG: 488000 -42.9517 41.0055 -35.6847 35.4426 20.1725 -26.4824 -33.0171 -24.3217 12.6846 TIMING: 488000 CPU: 1521.24, 0.00311342/step Wall: 1521.24, 0.00311342/step, 3.90216 hours remaining, 235.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 488000 3963.3716 20343.5735 14445.1858 241.5003 -203071.0545 2827.7557 0.0000 0.0000 52065.7098 -109183.9579 299.2223 -161249.6677 -108813.9677 298.4879 -53.8709 -20.6677 762247.6182 -3.4150 -3.3649 PRESSURE: 488200 -180.417 134.206 -3.73798 134.204 103.393 -10.833 -3.73766 -10.8334 0.832245 GPRESSURE: 488200 -131.082 104.309 -24.089 102.522 173.012 75.1656 -34.4915 26.9324 -28.0419 PRESSAVG: 488200 10.3268 -24.4501 -1.50736 -24.4501 34.1291 -21.5337 -1.50736 -21.5337 4.5955 GPRESSAVG: 488200 10.4494 -27.3488 -1.72695 -25.8944 34.5711 -21.3816 -2.88875 -23.0729 4.21133 TIMING: 488200 CPU: 1521.86, 0.00309599/step Wall: 1521.86, 0.00309599/step, 3.88014 hours remaining, 235.218750 MB of memory in use. ENERGY: 488200 3929.5070 20499.7251 14364.6634 243.1369 -202929.6860 2701.5190 0.0000 0.0000 52126.5072 -109064.6273 299.5718 -161191.1346 -108699.1417 298.6208 -25.3973 4.6293 765382.2310 16.3505 16.4106 LDB: ============= START OF LOAD BALANCING ============== 1534.33 LDB: ============== END OF LOAD BALANCING =============== 1534.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1534.34 LDB: ============= START OF LOAD BALANCING ============== 1534.65 LDB: Largest compute 7010 load 0.031715 is 16.3% of average load 0.194990 LDB: Average compute 0.004394 is 2.3% of average load 0.194990 LDB: TIME 1534.65 LOAD: AVG 0.19499 MAX 0.215646 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 1534.65 LOAD: AVG 0.19499 MAX 0.215646 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.887 MB LDB: TIME 1534.65 LOAD: AVG 0.19499 MAX 0.215646 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.887 MB LDB: ============== END OF LOAD BALANCING =============== 1534.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1534.66 PRESSURE: 488400 -422.293 -48.7212 -107.372 -48.7216 164.718 88.5623 -107.373 88.5616 253.836 GPRESSURE: 488400 -324.646 -11.6491 -153.276 -84.9213 185.234 28.2239 -69.6671 51.7659 223.719 PRESSAVG: 488400 -42.8043 -12.0026 -20.0985 -12.0026 66.4188 34.6417 -20.0985 34.6418 -13.9311 GPRESSAVG: 488400 -42.9138 -10.1061 -19.0127 -9.80845 65.8083 34.288 -20.6412 36.8532 -13.2084 TIMING: 488400 CPU: 1522.49, 0.00316755/step Wall: 1522.49, 0.00316755/step, 3.96965 hours remaining, 234.042969 MB of memory in use. ENERGY: 488400 4019.0265 20410.9500 14458.8600 253.1646 -203358.6752 3000.8242 0.0000 0.0000 52140.3048 -109075.5451 299.6510 -161215.8499 -108710.9457 299.1046 -1.2466 28.1022 765055.5474 3.2278 3.2287 PRESSURE: 488600 225.16 53.8416 193.195 53.8412 -154.835 -73.0288 193.195 -73.0295 -84.6789 GPRESSURE: 488600 163.646 16.6427 221.667 119.775 -55.8349 -31.0694 210.981 75.769 -33.8826 PRESSAVG: 488600 -26.5827 33.4743 29.374 33.4743 -0.0432898 19.3561 29.374 19.3561 -10.1649 GPRESSAVG: 488600 -27.546 31.6238 28.9712 31.4908 0.832436 18.7555 29.0412 19.0854 -10.1771 TIMING: 488600 CPU: 1523.11, 0.0031119/step Wall: 1523.11, 0.0031119/step, 3.89973 hours remaining, 234.042969 MB of memory in use. ENERGY: 488600 3976.0757 20444.6144 14421.0289 244.6267 -203012.1747 3012.6693 0.0000 0.0000 51919.1294 -108994.0304 298.3800 -160913.1598 -108628.1051 298.9558 -4.7847 24.6429 766191.6059 -12.2636 -12.2969 PRESSURE: 488800 64.3706 73.0741 -80.6983 73.0746 61.2475 -181.38 -80.6976 -181.379 192.446 GPRESSURE: 488800 99.7538 41.6991 -63.7466 61.5793 181.739 -96.0774 13.5601 -264 107.177 PRESSAVG: 488800 -57.0958 17.3332 38.9731 17.3332 67.3289 40.4268 38.973 40.4269 -11.1484 GPRESSAVG: 488800 -56.93 17.004 38.9652 18.5798 68.1839 42.5152 39.2809 38.7702 -12.6089 TIMING: 488800 CPU: 1523.74, 0.00311871/step Wall: 1523.74, 0.00311872/step, 3.9081 hours remaining, 234.042969 MB of memory in use. ENERGY: 488800 3934.5109 20512.0717 14373.9078 251.0597 -202897.5790 2883.2396 0.0000 0.0000 52023.8719 -108918.9174 298.9819 -160942.7893 -108565.3655 298.9209 106.0213 129.5567 765933.5650 -0.3051 -0.4517 PRESSURE: 489000 60.0242 66.4754 38.9514 66.4756 18.298 146.992 38.9518 146.991 405.503 GPRESSURE: 489000 14.6707 133.016 104.819 33.2253 38.6402 167.21 101.031 -19.2129 500.318 PRESSAVG: 489000 -60.1665 76.6951 -3.85712 76.6952 65.3256 62.9151 -3.85708 62.9151 -3.23619 GPRESSAVG: 489000 -59.7313 77.6976 -4.09608 76.9605 62.9243 63.0335 -1.61808 61.8023 -1.02992 TIMING: 489000 CPU: 1524.36, 0.00310969/step Wall: 1524.36, 0.00310969/step, 3.89662 hours remaining, 234.042969 MB of memory in use. ENERGY: 489000 3889.8666 20625.8459 14431.3265 250.4364 -203035.9022 2905.9735 0.0000 0.0000 51932.4658 -108999.9875 298.4566 -160932.4533 -108621.2864 299.5465 161.2752 184.5431 764873.1630 0.6410 0.7210 PRESSURE: 489200 -6.12311 -141.506 153.843 -141.505 -8.6699 174.899 153.842 174.898 38.6703 GPRESSURE: 489200 -10.1627 -161.512 60.5973 -44.1929 30.5833 118.238 229.132 154.259 100.889 PRESSAVG: 489200 -20.3123 39.9551 -10.2695 39.9551 48.4633 -7.26411 -10.2695 -7.26415 19.7543 GPRESSAVG: 489200 -21.3856 39.1369 -11.7705 40.2292 49.4916 -8.33993 -12.1725 -6.97112 19.9431 TIMING: 489200 CPU: 1524.98, 0.00311457/step Wall: 1524.98, 0.00311457/step, 3.90256 hours remaining, 234.042969 MB of memory in use. ENERGY: 489200 3911.0011 20459.0740 14394.4463 249.4363 -202826.6460 3009.7982 0.0000 0.0000 51899.6031 -108903.2869 298.2677 -160802.8900 -108542.1726 298.8388 7.9591 40.4364 765358.5249 15.9684 16.0164 PRESSURE: 489400 338.628 55.3182 8.69554 55.3191 214.508 -228.664 8.69613 -228.665 -194.792 GPRESSURE: 489400 418.65 48.338 42.5468 82.1924 150.678 -141.096 -112.432 -70.6032 -116.774 PRESSAVG: 489400 3.08622 -12.1524 27.3952 -12.1524 38.408 -2.98688 27.3952 -2.98688 4.6851 GPRESSAVG: 489400 4.36292 -11.1499 29.5936 -11.5576 36.6691 -2.53489 27.0195 -0.361559 4.6512 TIMING: 489400 CPU: 1525.61, 0.00311436/step Wall: 1525.61, 0.00311436/step, 3.90211 hours remaining, 234.042969 MB of memory in use. ENERGY: 489400 3999.2167 20441.8682 14405.0801 230.6328 -203154.3831 2971.6837 0.0000 0.0000 52159.6918 -108946.2097 299.7625 -161105.9015 -108575.8508 298.5066 119.4481 150.8513 763883.7876 15.3931 15.2277 PRESSURE: 489600 256.038 199.182 -52.997 199.183 124.793 -252.809 -52.9965 -252.809 -145.449 GPRESSURE: 489600 266.703 122.029 64.419 9.07522 166.675 -194.479 -95.0804 -301.368 -101.028 PRESSAVG: 489600 52.4792 37.5636 15.0349 37.5636 18.9346 -5.50939 15.0349 -5.50936 24.9173 GPRESSAVG: 489600 51.6201 37.346 14.977 36.2565 20.3281 -5.70848 13.9197 -6.58813 24.0267 TIMING: 489600 CPU: 1526.23, 0.00310564/step Wall: 1526.23, 0.00310564/step, 3.89102 hours remaining, 234.042969 MB of memory in use. ENERGY: 489600 4028.8623 20379.9285 14433.7220 256.3405 -203004.5599 2963.5817 0.0000 0.0000 52007.9746 -108934.1503 298.8905 -160942.1248 -108570.4779 298.9815 78.4609 110.7832 763809.9368 32.1104 31.9916 PRESSURE: 489800 -246.68 138.978 5.45025 138.977 549.311 -43.7345 5.45004 -43.7346 403.722 GPRESSURE: 489800 -170.409 226.051 56.298 47.8096 502.811 -7.37919 -38.1793 -16.5053 448.772 PRESSAVG: 489800 -0.787248 18.0602 68.2025 18.0602 34.2737 -5.91135 68.2024 -5.91129 27.5885 GPRESSAVG: 489800 -2.38572 19.0198 67.3822 16.3412 35.6567 -6.43917 69.2263 -5.9898 27.5404 TIMING: 489800 CPU: 1526.85, 0.00311372/step Wall: 1526.85, 0.00311373/step, 3.90098 hours remaining, 234.042969 MB of memory in use. ENERGY: 489800 3876.6748 20475.5972 14401.6782 246.7743 -202962.4807 2901.1699 0.0000 0.0000 51992.4785 -109068.1078 298.8015 -161060.5863 -108706.9252 299.0425 235.4509 260.3914 764629.9529 20.3583 20.2704 PRESSURE: 490000 8.84169 48.762 296.27 48.7625 -351.731 33.3139 296.27 33.315 55.763 GPRESSURE: 490000 61.7416 52.9939 355.179 66.4954 -330.892 -72.6251 165.071 -27.4594 75.522 PRESSAVG: 490000 75.9606 18.3653 32.8122 18.3654 -43.8952 32.9077 32.8122 32.9077 8.69749 GPRESSAVG: 490000 76.9316 16.1886 32.5604 22.3549 -45.9428 34.5281 31.7766 32.8897 9.64773 TIMING: 490000 CPU: 1527.47, 0.00312109/step Wall: 1527.47, 0.00312109/step, 3.91003 hours remaining, 234.042969 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: 490000 4026.1118 20297.3323 14407.6386 241.9153 -202925.5838 3003.0498 0.0000 0.0000 52092.8315 -108856.7044 299.3782 -160949.5360 -108497.1905 298.8473 -95.7089 -64.5426 765045.1144 13.5876 13.5455 PRESSURE: 490200 -6.23167 148.099 161.223 148.099 -232.435 156.549 161.223 156.55 -411.426 GPRESSURE: 490200 -20.6788 18.461 194.294 246.64 -180.44 130.959 172.493 134.435 -359.839 PRESSAVG: 490200 9.66413 -21.0699 17.1289 -21.07 -10.3618 -2.38074 17.1289 -2.38074 16.9054 GPRESSAVG: 490200 9.4367 -19.334 17.4857 -22.5578 -9.48912 -4.21901 18.3574 -0.778637 16.2283 TIMING: 490200 CPU: 1528.1, 0.00314572/step Wall: 1528.1, 0.00314572/step, 3.94072 hours remaining, 234.042969 MB of memory in use. ENERGY: 490200 4110.5648 20449.9475 14429.9055 239.7494 -202979.9535 3017.8229 0.0000 0.0000 51827.3209 -108904.6425 297.8523 -160731.9635 -108545.1740 298.9936 -216.6974 -186.9860 766530.3778 5.4026 5.3920 PRESSURE: 490400 140.252 -41.5958 -60.894 -41.597 175.638 57.1153 -60.8944 57.1145 47.2608 GPRESSURE: 490400 132.552 -16.6819 12.4167 -77.3984 269.248 0.948163 -21.2516 7.87056 37.9486 PRESSAVG: 490400 2.33703 23.9678 27.0889 23.9678 26.631 -12.5674 27.0888 -12.5673 2.05941 GPRESSAVG: 490400 1.18406 22.8707 26.3288 23.085 27.0602 -12.5482 27.0031 -13.6503 2.46145 TIMING: 490400 CPU: 1528.73, 0.00315101/step Wall: 1528.73, 0.00315101/step, 3.94716 hours remaining, 234.042969 MB of memory in use. ENERGY: 490400 3955.8992 20497.7792 14412.1261 259.8579 -203249.5946 3241.5300 0.0000 0.0000 52234.9806 -108647.4216 300.1952 -160882.4022 -108282.4089 299.3759 121.0504 146.5828 765839.5141 10.3425 10.2352 PRESSURE: 490600 -248.684 126.431 55.5639 126.431 -120.415 168.038 55.5649 168.039 223.814 GPRESSURE: 490600 -256.077 128.216 -19.0607 107.161 2.41861 66.3214 150.309 79.3835 201.38 PRESSAVG: 490600 -38.7366 20.3514 -16.4324 20.3514 47.2191 -18.6402 -16.4324 -18.6403 18.1425 GPRESSAVG: 490600 -37.7164 21.4921 -14.1077 21.3177 46.6392 -17.9539 -17.0329 -20.0224 17.9367 TIMING: 490600 CPU: 1529.37, 0.0031628/step Wall: 1529.37, 0.0031628/step, 3.96176 hours remaining, 234.042969 MB of memory in use. ENERGY: 490600 3995.3156 20484.7905 14486.8926 238.0457 -202966.3341 2868.7333 0.0000 0.0000 52160.6031 -108731.9533 299.7677 -160892.5564 -108374.3217 299.5526 -48.4281 -17.4262 764422.7636 8.8750 8.9531 PRESSURE: 490800 67.2037 22.3891 274.501 22.3889 -65.561 -8.19018 274.501 -8.18959 334.459 GPRESSURE: 490800 80.4654 -12.7027 267.08 75.1126 -3.80394 78.8389 173.651 -6.36613 350.371 PRESSAVG: 490800 27.2891 1.53989 63.8043 1.53986 -15.0703 -29.7878 63.8043 -29.7878 -17.066 GPRESSAVG: 490800 29.247 -0.0255397 63.1618 0.449385 -15.8465 -28.1132 63.0971 -30.0712 -18.4357 TIMING: 490800 CPU: 1530, 0.00316587/step Wall: 1530, 0.00316587/step, 3.96543 hours remaining, 234.042969 MB of memory in use. ENERGY: 490800 4023.9516 20352.5984 14412.2578 237.0954 -203150.8973 2946.6027 0.0000 0.0000 52138.9368 -109039.4547 299.6432 -161178.3915 -108677.6110 298.8876 112.0338 142.3443 765371.2775 -1.6157 -1.6784 PRESSURE: 491000 -317.263 -212.426 120.014 -212.425 -46.5312 -31.6813 120.014 -31.6811 -642.425 GPRESSURE: 491000 -223.958 -136.778 58.7797 -154.873 -82.446 -29.1193 79.8304 -83.3876 -627.934 PRESSAVG: 491000 -23.9896 39.9103 46.0904 39.9103 29.8934 -41.8381 46.0904 -41.8381 -15.9858 GPRESSAVG: 491000 -26.0384 40.7197 45.69 40.6512 30.2679 -42.6487 47.8918 -42.1489 -14.1581 TIMING: 491000 CPU: 1530.63, 0.00314181/step Wall: 1530.63, 0.00314181/step, 3.93512 hours remaining, 234.042969 MB of memory in use. ENERGY: 491000 3961.5606 20508.2418 14380.6654 244.3193 -202785.1613 2465.1736 0.0000 0.0000 52136.6822 -109088.5185 299.6302 -161225.2007 -108719.9843 298.7212 -335.4066 -311.4461 764714.4702 -3.3606 -3.3095 PRESSURE: 491200 -292.667 127.362 190.709 127.362 -151.921 69.4351 190.71 69.4345 117.435 GPRESSURE: 491200 -271.757 117.925 124.346 48.5332 -157.267 64.4107 265.482 -32.0753 160.026 PRESSAVG: 491200 10.3838 -33.5458 42.1212 -33.5457 5.78932 -48.929 42.1213 -48.9288 8.53034 GPRESSAVG: 491200 10.5965 -32.9039 41.9191 -32.9348 5.77997 -49.9697 42.0278 -46.6543 7.8193 TIMING: 491200 CPU: 1531.25, 0.00311815/step Wall: 1531.25, 0.00311815/step, 3.90531 hours remaining, 234.042969 MB of memory in use. ENERGY: 491200 3963.4413 20492.3373 14379.8602 261.4968 -203007.6432 2907.5156 0.0000 0.0000 51830.4138 -109172.5783 297.8701 -161002.9920 -108812.1055 298.1348 -109.0509 -89.6662 765329.8554 8.2345 8.0652 PRESSURE: 491400 45.1392 128.611 -112.538 128.612 -171.639 106.695 -112.538 106.695 -128.124 GPRESSURE: 491400 117.482 92.2148 -188.295 164.255 -98.5787 193.408 -104.799 74.931 -179.387 PRESSAVG: 491400 29.2465 14.2799 -72.6663 14.28 -10.8734 28.7708 -72.6662 28.7707 -5.15445 GPRESSAVG: 491400 29.6637 13.5231 -72.7613 13.1933 -10.6996 29.6504 -72.2058 28.1831 -5.62437 TIMING: 491400 CPU: 1531.87, 0.0031147/step Wall: 1531.87, 0.0031147/step, 3.90082 hours remaining, 234.042969 MB of memory in use. ENERGY: 491400 4007.2148 20311.7689 14385.9702 232.8759 -202947.6581 3094.4904 0.0000 0.0000 51865.7745 -109049.5633 298.0733 -160915.3378 -108693.0751 298.5368 -84.8745 -53.4948 765510.5251 4.4062 4.4466 PRESSURE: 491600 -143.647 -67.2238 -87.8571 -67.2247 15.5768 158.384 -87.8574 158.384 -328.517 GPRESSURE: 491600 -145.159 0.633487 -47.4066 -12.7937 112.898 55.8401 -2.59416 197.42 -346.104 PRESSAVG: 491600 56.7666 -0.0286159 -22.0994 -0.0286187 -14.0349 36.7649 -22.0994 36.7649 6.15503 GPRESSAVG: 491600 57.3811 -0.981376 -21.5051 1.29812 -14.8393 35.1206 -22.6635 36.7916 6.12295 TIMING: 491600 CPU: 1532.5, 0.00311365/step Wall: 1532.5, 0.00311365/step, 3.89932 hours remaining, 234.042969 MB of memory in use. ENERGY: 491600 4081.3352 20378.2276 14391.7722 250.8908 -203403.8045 3203.5845 0.0000 0.0000 52037.5618 -109060.4325 299.0606 -161097.9942 -108706.4165 299.0826 -152.1955 -126.1216 764899.5414 16.2956 16.2216 PRESSURE: 491800 286.485 -84.5191 -82.2422 -84.5193 116.995 36.8546 -82.2426 36.8538 -245.998 GPRESSURE: 491800 183.732 -46.1357 -114.91 11.1138 233.471 38.6086 -30.7664 82.9875 -166.653 PRESSAVG: 491800 -47.731 20.639 -11.769 20.639 44.4772 46.3028 -11.769 46.3027 0.9444 GPRESSAVG: 491800 -48.6857 23.3214 -12.4478 19.0694 45.4126 46.7497 -13.4738 45.5101 1.40084 TIMING: 491800 CPU: 1533.12, 0.00311077/step Wall: 1533.12, 0.00311077/step, 3.89555 hours remaining, 234.042969 MB of memory in use. ENERGY: 491800 4059.4148 20621.8363 14420.3663 238.5126 -202940.1314 2623.6254 0.0000 0.0000 52121.3440 -108855.0321 299.5421 -160976.3761 -108503.3656 299.0315 52.4939 83.5169 763792.1038 -0.7698 -0.6241 PRESSURE: 492000 -237.695 -66.6641 85.5927 -66.6635 22.0143 -95.9882 85.5924 -95.9875 -113.06 GPRESSURE: 492000 -109.02 11.503 139.633 -25.3673 -7.93088 -82.1463 -10.1264 -81.0183 -140.713 PRESSAVG: 492000 0.26273 38.3725 34.9884 38.3726 3.00872 7.45257 34.9884 7.45251 6.85953 GPRESSAVG: 492000 -0.87973 37.1923 33.9841 38.364 3.06334 9.27806 35.1706 5.98227 7.48189 TIMING: 492000 CPU: 1533.74, 0.00311284/step Wall: 1533.74, 0.00311284/step, 3.89797 hours remaining, 234.042969 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: 492000 4030.0413 20623.5561 14420.6132 234.4111 -203036.6696 2836.0926 0.0000 0.0000 52062.8078 -108829.1475 299.2057 -160891.9553 -108477.3911 299.3188 -109.5801 -85.8878 766503.4685 3.3770 3.2218 PRESSURE: 492200 299.203 -105.947 -48.3888 -105.947 71.333 122.236 -48.3891 122.235 158.644 GPRESSURE: 492200 348.319 -93.6669 -31.0108 -14.8892 120.023 121.269 -94.6692 -55.3244 147.117 PRESSAVG: 492200 35.0871 -2.21528 52.1376 -2.21527 -36.8346 -33.7215 52.1376 -33.7216 3.98831 GPRESSAVG: 492200 37.3014 -1.85409 53.9981 -0.376418 -38.7947 -36.0816 52.8353 -31.0365 3.5474 TIMING: 492200 CPU: 1534.36, 0.00311443/step Wall: 1534.36, 0.00311443/step, 3.89978 hours remaining, 234.042969 MB of memory in use. ENERGY: 492200 3963.8154 20558.7269 14322.8303 229.9733 -203356.9607 3214.9141 0.0000 0.0000 52093.1365 -108973.5642 299.3800 -161066.7007 -108607.8699 299.3879 176.3932 205.1528 763518.7164 0.7469 0.6847 LDB: ============= START OF LOAD BALANCING ============== 1546.84 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1546.84 LDB: =============== DONE WITH MIGRATION ================ 1546.85 LDB: ============= START OF LOAD BALANCING ============== 1547.16 LDB: Largest compute 7052 load 0.030710 is 15.7% of average load 0.195084 LDB: Average compute 0.004374 is 2.2% of average load 0.195084 LDB: TIME 1547.16 LOAD: AVG 0.195084 MAX 0.21837 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.582 MB LDB: TIME 1547.16 LOAD: AVG 0.195084 MAX 0.21837 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.586 MB LDB: TIME 1547.16 LOAD: AVG 0.195084 MAX 0.215619 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.586 MB LDB: ============== END OF LOAD BALANCING =============== 1547.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1547.17 PRESSURE: 492400 -344.119 19.8615 35.5005 19.8611 -106.092 -141.616 35.5001 -141.615 -358.475 GPRESSURE: 492400 -316.697 11.6298 73.0185 61.6593 -60.0132 -188.65 -30.3887 -22.634 -344.331 PRESSAVG: 492400 -20.535 -41.2581 9.86998 -41.2581 42.9414 -24.3476 9.87001 -24.3475 -22.2798 GPRESSAVG: 492400 -20.9028 -42.232 11.2107 -41.1659 43.2372 -21.3741 9.72297 -26.4698 -22.143 TIMING: 492400 CPU: 1535, 0.00319999/step Wall: 1535, 0.00319999/step, 4.00674 hours remaining, 234.671875 MB of memory in use. ENERGY: 492400 4070.0877 20534.4228 14375.0999 239.4056 -202695.0426 2512.9162 0.0000 0.0000 52095.8550 -108867.2554 299.3956 -160963.1104 -108491.6750 299.2103 -269.5619 -240.3471 763820.5437 0.0422 0.0638 PRESSURE: 492600 -222.478 136.221 -97.4632 136.221 -167.534 162.374 -97.4625 162.375 -41.9242 GPRESSURE: 492600 -220.739 133.977 -79.0976 106.534 -113.724 258.981 -120.9 23.0424 -18.043 PRESSAVG: 492600 7.53982 -54.8269 -19.3631 -54.8269 14.8591 -6.96465 -19.3631 -6.9646 16.3462 GPRESSAVG: 492600 8.01789 -53.0793 -20.8319 -56.6124 14.7778 -8.99232 -17.7944 -6.30242 15.8989 TIMING: 492600 CPU: 1535.63, 0.00312999/step Wall: 1535.63, 0.00312999/step, 3.91892 hours remaining, 234.671875 MB of memory in use. ENERGY: 492600 4004.3730 20514.8193 14448.4294 256.9425 -203165.2694 2879.1774 0.0000 0.0000 52011.9695 -109049.5583 298.9135 -161061.5277 -108682.3425 299.1039 -143.9787 -117.5017 764175.5176 12.9151 12.8982 PRESSURE: 492800 -262.542 81.1625 67.1344 81.1629 -279.62 56.1137 67.1338 56.114 -427.667 GPRESSURE: 492800 -260.398 -1.04952 127.313 75.2246 -238.832 -16.1722 -13.603 72.6909 -394.408 PRESSAVG: 492800 -87.1624 -33.1881 -53.6006 -33.1881 43.0581 11.8255 -53.6006 11.8255 9.08385 GPRESSAVG: 492800 -88.7297 -34.4846 -55.8787 -31.6054 44.0375 12.4343 -52.721 11.9012 9.3153 TIMING: 492800 CPU: 1536.26, 0.003128/step Wall: 1536.26, 0.003128/step, 3.91626 hours remaining, 234.671875 MB of memory in use. ENERGY: 492800 3978.5170 20413.0339 14315.4138 237.2554 -202893.6843 2670.7843 0.0000 0.0000 52029.1443 -109249.5357 299.0122 -161278.6799 -108882.5884 298.8474 -323.2763 -297.8793 766350.1456 -11.6735 -11.7923 PRESSURE: 493000 -0.637138 -19.535 60.3451 -19.5336 72.9287 331.811 60.344 331.811 -346.621 GPRESSURE: 493000 61.6089 84.3482 114.448 81.3771 55.9752 213.647 -40.7619 407.615 -330.968 PRESSAVG: 493000 -14.4578 -3.70475 10.3027 -3.70477 5.35302 32.7221 10.3027 32.722 -1.77992 GPRESSAVG: 493000 -15.2882 -3.94442 10.8265 -3.87053 5.67785 32.4207 7.50251 32.3008 -1.1949 TIMING: 493000 CPU: 1536.88, 0.00312918/step Wall: 1536.88, 0.00312918/step, 3.91756 hours remaining, 234.671875 MB of memory in use. ENERGY: 493000 3927.5437 20690.0900 14324.7119 248.5169 -203090.9279 2911.2902 0.0000 0.0000 51930.9699 -109057.8053 298.4480 -160988.7751 -108697.9759 298.9737 -91.4432 -71.1281 764534.3779 -3.6282 -3.6017 PRESSURE: 493200 -313.697 79.3021 -27.6824 79.3028 109.244 2.30817 -27.6828 2.30742 31.5557 GPRESSURE: 493200 -262.504 146.484 54.545 55.9594 97.4812 -36.8757 -45.2859 111.65 63.6965 PRESSAVG: 493200 -17.9482 -10.8106 33.823 -10.8106 22.8176 39.6403 33.823 39.6402 -30.4934 GPRESSAVG: 493200 -17.1839 -11.1196 35.5956 -10.2751 22.4137 38.2554 33.2972 40.1427 -31.072 TIMING: 493200 CPU: 1537.5, 0.0031027/step Wall: 1537.5, 0.0031027/step, 3.88423 hours remaining, 234.671875 MB of memory in use. ENERGY: 493200 4079.8864 20664.6047 14370.5885 240.8834 -203422.5412 3027.0705 0.0000 0.0000 52064.8937 -108974.6140 299.2177 -161039.5077 -108609.1086 299.6903 -57.6325 -33.7755 763485.5709 -8.5413 -8.6141 PRESSURE: 493400 304.61 -17.1453 -8.50209 -17.1455 148.658 -149.494 -8.50206 -149.494 -253.768 GPRESSURE: 493400 319.337 104.663 -74.4865 33.0327 162.849 -180.164 166.021 42.0799 -188.472 PRESSAVG: 493400 -21.2711 5.99065 -18.5546 5.99068 -20.598 -9.10947 -18.5546 -9.10947 10.2754 GPRESSAVG: 493400 -22.0229 7.13635 -20.0628 4.91044 -20.7444 -8.59311 -16.2414 -8.75343 11.3181 TIMING: 493400 CPU: 1538.13, 0.00311779/step Wall: 1538.13, 0.00311779/step, 3.90295 hours remaining, 234.671875 MB of memory in use. ENERGY: 493400 4060.4098 20405.9602 14386.6264 244.6071 -203381.8785 3089.7398 0.0000 0.0000 52174.4768 -109020.0585 299.8474 -161194.5353 -108660.1085 299.3692 66.5002 97.9048 763279.9570 -10.5312 -10.4830 PRESSURE: 493600 -145.325 -103.732 -88.9525 -103.731 327.299 109.108 -88.9536 109.108 169.518 GPRESSURE: 493600 8.30988 -45.4783 -143.144 -170.912 247.248 74.9143 -144.234 148.758 176.054 PRESSAVG: 493600 -5.01012 -2.76768 -47.4758 -2.76761 -39.0822 -19.6837 -47.4758 -19.6837 -26.8868 GPRESSAVG: 493600 -4.49579 -2.41048 -45.8012 -2.90008 -39.2266 -19.2516 -49.418 -21.0758 -27.176 TIMING: 493600 CPU: 1538.75, 0.00311077/step Wall: 1538.75, 0.00311077/step, 3.894 hours remaining, 234.671875 MB of memory in use. ENERGY: 493600 3978.2057 20432.3043 14442.9099 253.5651 -202749.0766 2556.9636 0.0000 0.0000 52229.5120 -108855.6161 300.1637 -161085.1281 -108493.8634 299.4554 117.1641 143.8706 763796.2289 -23.6597 -23.6328 PRESSURE: 493800 109.454 105.218 -251.935 105.217 219.934 70.3644 -251.936 70.364 52.83 GPRESSURE: 493800 175.539 -33.8033 -165.556 198.104 208.259 102.065 -458.798 83.1933 78.8756 PRESSAVG: 493800 -13.3945 -14.1839 -38.3448 -14.1838 -4.0642 40.0177 -38.3448 40.0177 11.2045 GPRESSAVG: 493800 -13.6505 -14.7486 -36.8051 -13.4245 -3.38713 39.6466 -40.101 41.1704 10.389 TIMING: 493800 CPU: 1539.37, 0.0031033/step Wall: 1539.37, 0.0031033/step, 3.88447 hours remaining, 234.671875 MB of memory in use. ENERGY: 493800 4084.9382 20467.2692 14379.8737 262.4055 -203005.8071 2844.3458 0.0000 0.0000 52083.0615 -108883.9132 299.3221 -160966.9747 -108524.5781 299.6323 127.4061 154.2245 762638.0456 -2.0847 -2.2162 PRESSURE: 494000 -272.775 -24.8784 -94.0601 -24.8785 -193.99 16.555 -94.0604 16.5564 275.139 GPRESSURE: 494000 -278.678 28.1326 -104.831 16.8238 -115.178 28.4454 -38.6033 -120.184 282.891 PRESSAVG: 494000 9.68556 10.026 -49.9672 10.026 -13.2541 30.3687 -49.9671 30.3687 -2.42872 GPRESSAVG: 494000 9.60023 9.52713 -51.5313 8.61955 -13.5018 28.4239 -50.1875 31.0298 -2.16326 TIMING: 494000 CPU: 1539.99, 0.00312045/step Wall: 1539.99, 0.00312045/step, 3.90577 hours remaining, 234.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 494000 3949.9251 20390.9559 14408.0355 224.5536 -203053.7995 2846.0352 0.0000 0.0000 52057.7607 -109176.5335 299.1767 -161234.2942 -108806.7089 299.3216 -63.8755 -36.9883 763134.9372 -1.9991 -2.0216 PRESSURE: 494200 -176.618 -70.5302 -29.9955 -70.5298 284.779 -237.942 -29.9948 -237.942 -192.352 GPRESSURE: 494200 -166.672 72.3122 -30.4062 -159.68 243.231 -152.455 63.9871 -158.49 -85.525 PRESSAVG: 494200 7.04043 -28.3748 53.6727 -28.3748 -27.8193 -19.9473 53.6727 -19.9473 18.8169 GPRESSAVG: 494200 5.9947 -26.3776 52.663 -26.2338 -28.2399 -18.8813 57.1621 -19.3109 20.0648 TIMING: 494200 CPU: 1540.62, 0.00311537/step Wall: 1540.62, 0.00311537/step, 3.89923 hours remaining, 234.671875 MB of memory in use. ENERGY: 494200 4003.2652 20497.1467 14417.4815 249.7778 -203126.1259 2808.7876 0.0000 0.0000 51764.9907 -109384.6764 297.4941 -161149.6671 -109027.5011 299.0294 -28.0638 -2.9887 763714.3922 -0.6540 -0.7268 PRESSURE: 494400 86.522 146.623 162.173 146.624 88.8414 9.7376 162.173 9.73688 -39.4118 GPRESSURE: 494400 166.894 92.243 52.3716 25.007 148.952 -10.0172 186.18 -10.9461 -78.6351 PRESSAVG: 494400 54.7798 -25.7052 19.2583 -25.7052 46.2076 -23.8332 19.2583 -23.8332 -28.743 GPRESSAVG: 494400 56.8416 -25.5628 19.6639 -27.5942 46.2139 -22.2246 18.4095 -25.7455 -30.6358 TIMING: 494400 CPU: 1541.24, 0.00309926/step Wall: 1541.24, 0.00309926/step, 3.87889 hours remaining, 234.671875 MB of memory in use. ENERGY: 494400 4011.4583 20495.3696 14365.5365 231.7740 -202801.8305 2815.6881 0.0000 0.0000 51762.9040 -109119.1000 297.4821 -160882.0040 -108763.0184 298.5095 45.3172 79.0700 763928.2171 24.0815 24.1399 PRESSURE: 494600 65.1402 -59.6503 -185.896 -59.65 117.315 -13.1067 -185.896 -13.1058 -174.358 GPRESSURE: 494600 178.619 86.0626 -148.857 -81.2241 99.5399 14.8082 -228.628 -5.99671 -175.086 PRESSAVG: 494600 -27.8558 -53.1846 -0.642899 -53.1846 -17.8544 -15.984 -0.64289 -15.9841 -10.2163 GPRESSAVG: 494600 -28.8783 -57.2611 -1.86858 -50.4773 -17.4862 -16.7526 -1.42649 -16.8848 -9.65283 TIMING: 494600 CPU: 1541.86, 0.0031167/step Wall: 1541.86, 0.0031167/step, 3.90056 hours remaining, 234.671875 MB of memory in use. ENERGY: 494600 4030.0839 20342.0394 14409.2496 231.0332 -203271.8787 2875.5323 0.0000 0.0000 51959.0144 -109424.9258 298.6092 -161383.9402 -109071.0443 298.2611 2.6991 34.3576 763292.0384 -18.6422 -18.6725 PRESSURE: 494800 -38.6607 18.9062 62.537 18.9068 -266.927 -260.112 62.5371 -260.112 21.3199 GPRESSURE: 494800 -33.4506 26.1421 126.03 25.5993 -263.436 -147.577 -22.2342 -34.2191 112.401 PRESSAVG: 494800 -30.226 -27.5449 -35.1246 -27.5449 4.9563 -61.3938 -35.1247 -61.3937 -10.8499 GPRESSAVG: 494800 -29.3479 -24.9386 -32.6211 -29.3432 4.8702 -61.4104 -34.251 -58.7245 -11.5337 TIMING: 494800 CPU: 1542.48, 0.00311018/step Wall: 1542.48, 0.00311018/step, 3.89222 hours remaining, 234.671875 MB of memory in use. ENERGY: 494800 3966.3627 20536.6035 14377.6777 224.9811 -202592.0084 2414.7082 0.0000 0.0000 51727.6615 -109344.0136 297.2796 -161071.6751 -108991.5061 298.0927 -94.7561 -61.4949 764715.0753 -12.0399 -12.0038 PRESSURE: 495000 224.646 337.571 86.9204 337.572 14.0887 -20.9597 86.9198 -20.96 -219.411 GPRESSURE: 495000 300.31 187.158 136.146 276.143 -13.3674 -3.18991 105.475 -107.504 -169.761 PRESSAVG: 495000 -3.63695 -5.20556 1.7395 -5.20553 -21.1563 -40.662 1.73949 -40.6621 4.39298 GPRESSAVG: 495000 -4.43645 -6.66632 2.58638 -4.37689 -21.9545 -41.1094 1.14344 -41.3455 6.57011 TIMING: 495000 CPU: 1543.1, 0.00310846/step Wall: 1543.1, 0.00310846/step, 3.88989 hours remaining, 234.671875 MB of memory in use. ENERGY: 495000 3951.6272 20382.9479 14358.8652 236.5755 -203440.1396 3058.9731 0.0000 0.0000 51964.9387 -109486.2120 298.6432 -161451.1507 -109127.8732 298.4277 6.4414 39.0605 762986.8145 -6.8001 -6.6069 PRESSURE: 495200 -542.798 -28.1784 -80.9531 -28.1772 -425.644 -21.2794 -80.9532 -21.2799 -448.743 GPRESSURE: 495200 -484.611 16.8963 -98.9693 1.88134 -420.659 -79.8077 -113.734 65.7605 -433.041 PRESSAVG: 495200 91.5865 5.79721 -20.7036 5.79722 -73.2991 -43.9554 -20.7036 -43.9555 44.5008 GPRESSAVG: 495200 91.6574 8.7932 -23.0624 5.17375 -73.371 -42.5768 -19.2839 -44.6539 44.4021 TIMING: 495200 CPU: 1543.73, 0.00312302/step Wall: 1543.73, 0.00312302/step, 3.90793 hours remaining, 234.671875 MB of memory in use. ENERGY: 495200 4050.6261 20507.4826 14335.5512 263.2581 -203330.9074 2567.3427 0.0000 0.0000 51913.9168 -109692.7299 298.3500 -161606.6467 -109329.2613 298.4156 -472.3950 -446.1038 762762.8936 20.9294 20.8962 PRESSURE: 495400 -302.693 116.403 -121.1 116.403 -417.736 -20.5283 -121.101 -20.5295 -488.771 GPRESSURE: 495400 -237.301 32.4021 -124.584 278.791 -378.407 25.1075 -118.778 54.2217 -501.271 PRESSAVG: 495400 -14.3012 24.9061 29.1252 24.9062 22.4593 -23.4393 29.1253 -23.4394 19.3805 GPRESSAVG: 495400 -12.5426 22.4457 30.1495 25.3003 22.1527 -23.7633 29.5535 -22.3082 17.895 TIMING: 495400 CPU: 1544.35, 0.00310142/step Wall: 1544.35, 0.00310142/step, 3.88073 hours remaining, 234.671875 MB of memory in use. ENERGY: 495400 3972.8434 20332.8244 14396.1115 220.1045 -203358.4902 2591.6347 0.0000 0.0000 52058.9497 -109786.0219 299.1835 -161844.9716 -109419.2093 298.3834 -403.0668 -372.3263 762185.1776 9.1795 9.1684 PRESSURE: 495600 18.3281 -1.76239 44.0912 -1.76349 -361.583 -112.8 44.0896 -112.8 -210.102 GPRESSURE: 495600 20.9067 -27.8453 29.0374 62.4011 -265.879 -91.9272 42.1421 -125.155 -218.005 PRESSAVG: 495600 23.3848 18.2884 12.1936 18.2884 1.97204 40.827 12.1936 40.827 -18.4325 GPRESSAVG: 495600 22.563 17.101 11.5568 19.7697 1.70265 42.7073 10.7369 39.2121 -17.2344 TIMING: 495600 CPU: 1544.97, 0.00311396/step Wall: 1544.97, 0.00311396/step, 3.89625 hours remaining, 234.671875 MB of memory in use. ENERGY: 495600 4017.6972 20428.2342 14411.1630 242.3837 -203144.6885 2637.7629 0.0000 0.0000 51791.2382 -109616.2091 297.6450 -161407.4474 -109249.4352 298.3579 -184.4523 -154.3257 763898.7987 2.3081 2.3438 PRESSURE: 495800 122.715 -15.0442 40.4995 -15.0434 -94.8016 -73.163 40.5006 -73.1637 121.568 GPRESSURE: 495800 45.5337 -26.5199 -7.69876 -82.2637 -66.3625 -12.8255 47.4672 -58.7205 255.36 PRESSAVG: 495800 -7.98328 2.60992 -83.8855 2.60994 3.58093 -17.5604 -83.8855 -17.5604 27.4062 GPRESSAVG: 495800 -8.32529 3.56399 -82.0175 -0.205412 4.13446 -18.8189 -84.208 -17.8905 27.2564 TIMING: 495800 CPU: 1545.59, 0.00311401/step Wall: 1545.59, 0.00311401/step, 3.89615 hours remaining, 234.671875 MB of memory in use. ENERGY: 495800 3960.4802 20393.4125 14390.4250 246.8346 -203400.0157 2846.9983 0.0000 0.0000 51948.7676 -109613.0976 298.5503 -161561.8652 -109246.9707 298.1471 49.8273 78.1769 763922.4349 7.6679 7.6885 PRESSURE: 496000 61.9798 81.0885 -33.3808 81.0891 49.5034 60.6798 -33.3808 60.68 326.7 GPRESSURE: 496000 81.9327 128.811 31.9428 190.661 159.451 72.0471 -77.1924 53.904 269.203 PRESSAVG: 496000 -5.73006 -16.0681 28.6423 -16.0681 6.98376 -21.9571 28.6423 -21.9571 4.2138 GPRESSAVG: 496000 -6.46825 -13.6012 26.9997 -14.9442 7.27624 -23.0235 30.8384 -20.1994 4.35575 TIMING: 496000 CPU: 1546.22, 0.00311846/step Wall: 1546.22, 0.00311846/step, 3.90154 hours remaining, 234.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 496000 4028.3152 20536.8785 14464.9918 259.2530 -203410.7060 2797.0708 0.0000 0.0000 51964.6701 -109359.5266 298.6417 -161324.1968 -109000.8567 298.2023 146.0610 170.1958 763136.9162 1.8225 1.7212 PRESSURE: 496200 250.478 -250.447 135.939 -250.447 86.5216 140.892 135.939 140.891 -146.013 GPRESSURE: 496200 266.486 -193.032 154.749 -218.825 59.4473 178.817 98.8276 101.297 -25.1317 PRESSAVG: 496200 18.6458 31.7154 34.4893 31.7154 -17.2741 34.5008 34.4893 34.5008 11.0032 GPRESSAVG: 496200 20.1316 29.4757 34.6262 33.1684 -17.683 35.4785 34.3851 32.5398 10.0897 TIMING: 496200 CPU: 1546.84, 0.00311177/step Wall: 1546.84, 0.00311177/step, 3.893 hours remaining, 234.671875 MB of memory in use. ENERGY: 496200 3948.5495 20535.2826 14423.3875 253.8234 -203116.4716 2860.8450 0.0000 0.0000 51982.5163 -109112.0673 298.7442 -161094.5836 -108735.5826 298.9729 63.6623 100.2672 764353.3209 4.1250 4.1794 LDB: ============= START OF LOAD BALANCING ============== 1559.31 LDB: ============== END OF LOAD BALANCING =============== 1559.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1559.32 LDB: ============= START OF LOAD BALANCING ============== 1559.63 LDB: Largest compute 7052 load 0.029900 is 15.3% of average load 0.194952 LDB: Average compute 0.004367 is 2.2% of average load 0.194952 LDB: TIME 1559.63 LOAD: AVG 0.194952 MAX 0.215943 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.043 MB LDB: TIME 1559.63 LOAD: AVG 0.194952 MAX 0.215943 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.043 MB LDB: TIME 1559.63 LOAD: AVG 0.194952 MAX 0.215943 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.043 MB LDB: ============== END OF LOAD BALANCING =============== 1559.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1559.64 PRESSURE: 496400 -282.892 -9.95107 -151.785 -9.95113 -191.544 38.8389 -151.786 38.8379 -42.7399 GPRESSURE: 496400 -246.223 11.0684 -138.298 -111.663 -143.802 -21.7779 -136.208 55.3813 -32.8699 PRESSAVG: 496400 15.7876 29.1346 7.81376 29.1346 -7.33089 -13.0236 7.81386 -13.0236 -20.8365 GPRESSAVG: 496400 13.9015 29.464 7.3697 28.6133 -6.75268 -13.9435 7.17616 -11.8484 -19.1891 TIMING: 496400 CPU: 1547.47, 0.00316614/step Wall: 1547.47, 0.00316614/step, 3.96084 hours remaining, 233.734375 MB of memory in use. ENERGY: 496400 3980.6699 20809.8691 14461.1546 246.5034 -203120.4165 2789.0303 0.0000 0.0000 51933.1601 -108900.0291 298.4606 -160833.1892 -108540.2200 299.4891 -172.3917 -140.9648 763596.7166 -4.1266 -4.0134 PRESSURE: 496600 -211.08 74.4258 -36.1279 74.4259 -11.9696 188.967 -36.1274 188.968 367.744 GPRESSURE: 496600 -132.195 52.8923 -58.7148 60.5375 27.9813 250.848 84.27 250.441 327.109 PRESSAVG: 496600 29.1683 17.2615 -2.46516 17.2616 -19.5884 26.2899 -2.46513 26.2901 17.3407 GPRESSAVG: 496600 31.2249 14.9785 -1.32304 18.5123 -21.36 26.6786 -3.01059 26.0959 16.5913 TIMING: 496600 CPU: 1548.09, 0.00310196/step Wall: 1548.09, 0.00310196/step, 3.88038 hours remaining, 233.734375 MB of memory in use. ENERGY: 496600 3958.9316 20616.5740 14398.6210 237.3854 -203222.6685 3007.3045 0.0000 0.0000 52077.7684 -108926.0836 299.2917 -161003.8520 -108557.6966 299.3050 48.2313 74.2982 765290.5724 8.9735 8.8188 PRESSURE: 496800 362.149 -34.4038 163.439 -34.4031 -8.26581 38.5587 163.439 38.5581 145.172 GPRESSURE: 496800 311.102 -31.8626 131.677 -40.9405 94.2387 99.4424 92.0782 31.1465 186.01 PRESSAVG: 496800 59.833 7.67184 -29.0902 7.67186 -50.3724 52.1686 -29.0901 52.1687 9.05377 GPRESSAVG: 496800 58.6193 7.98259 -29.5401 6.95758 -48.3937 52.7233 -30.1377 51.9636 8.04067 TIMING: 496800 CPU: 1548.71, 0.00310205/step Wall: 1548.71, 0.00310205/step, 3.88032 hours remaining, 233.734375 MB of memory in use. ENERGY: 496800 4051.1700 20483.0845 14440.7182 239.2093 -202858.6369 2716.5569 0.0000 0.0000 51979.4174 -108948.4805 298.7264 -160927.8980 -108589.2960 299.6749 166.3519 197.1170 764564.7514 6.1714 6.0888 PRESSURE: 497000 4.50088 -18.991 -276.338 -18.9911 -190.301 83.4449 -276.338 83.445 268.421 GPRESSURE: 497000 33.3128 -72.1384 -222.587 103.953 -167.455 167.033 -211.842 57.5535 296.039 PRESSAVG: 497000 10.7728 28.1439 -64.7669 28.1439 25.0387 5.93757 -64.7668 5.93758 5.81767 GPRESSAVG: 497000 9.62023 29.2506 -65.4191 26.7444 25.0485 4.52915 -62.2489 5.6695 7.08542 TIMING: 497000 CPU: 1549.34, 0.00311166/step Wall: 1549.34, 0.00311166/step, 3.89216 hours remaining, 233.734375 MB of memory in use. ENERGY: 497000 4017.5124 20444.6958 14373.6413 240.1501 -202889.0940 2708.0293 0.0000 0.0000 52256.3104 -108848.7546 300.3177 -161105.0651 -108472.5129 299.3834 27.5400 53.9657 763671.7875 13.8764 13.9180 PRESSURE: 497200 -86.1257 121.324 -152.282 121.324 -290.098 41.1198 -152.282 41.1191 19.402 GPRESSURE: 497200 -51.0708 127.298 -204.423 100.239 -248.927 126.649 -137.916 34.585 19.4198 PRESSAVG: 497200 37.3825 8.50981 -31.4103 8.50986 -19.4158 41.5901 -31.4102 41.59 11.2817 GPRESSAVG: 497200 40.0034 9.28598 -31.8334 9.77111 -21.0037 42.5779 -34.1302 40.2723 10.0213 TIMING: 497200 CPU: 1549.96, 0.00311435/step Wall: 1549.96, 0.00311435/step, 3.89536 hours remaining, 233.734375 MB of memory in use. ENERGY: 497200 4035.4319 20614.0679 14440.1644 231.0639 -203425.1098 3087.1433 0.0000 0.0000 51984.3302 -109032.9082 298.7547 -161017.2383 -108676.7247 299.8949 -118.9405 -93.5259 762292.0231 9.7495 9.6737 PRESSURE: 497400 36.4179 -87.4336 -77.2696 -87.4334 94.0482 160.094 -77.269 160.094 203.387 GPRESSURE: 497400 -15.7728 -104.419 -64.7147 -19.4856 210.502 136.158 -10.4961 223.073 232.731 PRESSAVG: 497400 -14.0356 26.6376 -82.7762 26.6376 25.4051 -27.0339 -82.7763 -27.0338 0.44797 GPRESSAVG: 497400 -15.121 27.1284 -82.4372 26.1539 26.4462 -27.4513 -80.1665 -26.4822 0.475409 TIMING: 497400 CPU: 1550.58, 0.0031031/step Wall: 1550.58, 0.0031031/step, 3.88111 hours remaining, 233.734375 MB of memory in use. ENERGY: 497400 4002.9540 20589.6370 14470.4817 254.5768 -203191.7695 3042.3023 0.0000 0.0000 51905.3323 -108926.4854 298.3007 -160831.8178 -108576.8662 299.4116 111.2843 142.4868 763060.9533 3.9391 3.9335 PRESSURE: 497600 673.349 125.897 35.959 125.896 131.797 45.8476 35.9584 45.8472 188.427 GPRESSURE: 497600 720.197 63.124 -85.913 147.63 146.004 -2.23996 29.8376 6.83534 187.325 PRESSAVG: 497600 81.4741 7.15437 -46.5943 7.15444 -55.2736 30.4755 -46.5943 30.4755 7.90722 GPRESSAVG: 497600 80.9677 5.7888 -44.852 7.34509 -56.5596 28.5931 -48.1749 32.4907 9.39943 TIMING: 497600 CPU: 1551.2, 0.00311931/step Wall: 1551.2, 0.00311931/step, 3.90122 hours remaining, 233.734375 MB of memory in use. ENERGY: 497600 4033.2387 20506.0909 14453.3062 255.2304 -203347.9204 2975.5338 0.0000 0.0000 52200.3945 -108924.1258 299.9964 -161124.5204 -108566.8202 299.1789 331.1908 351.1750 761526.4014 11.3692 11.2692 PRESSURE: 497800 488.544 201.297 -274.409 201.297 -104.834 114.345 -274.41 114.345 208.863 GPRESSURE: 497800 447.309 259.758 -195.889 169.253 -55.6739 52.3062 -264.838 159.549 284.118 PRESSAVG: 497800 20.5347 -20.9464 -19.7144 -20.9464 -35.5945 -4.69101 -19.7144 -4.69101 19.8135 GPRESSAVG: 497800 21.8781 -21.1333 -21.7906 -19.6837 -36.4309 -4.84881 -19.9932 -5.57931 18.8158 TIMING: 497800 CPU: 1551.83, 0.00311527/step Wall: 1551.83, 0.00311527/step, 3.896 hours remaining, 233.734375 MB of memory in use. ENERGY: 497800 3995.5475 20542.2760 14343.0078 240.2380 -203089.7308 3030.5639 0.0000 0.0000 51895.7680 -109042.3296 298.2457 -160938.0976 -108680.8788 299.5428 197.5244 225.2509 764583.6451 1.5846 1.4210 PRESSURE: 498000 120.687 253.413 -197.444 253.414 -180.756 -156.034 -197.445 -156.034 -110.997 GPRESSURE: 498000 65.7023 311.727 -251.985 227.194 -73.7735 -199.784 -67.7924 -150.409 -69.1244 PRESSAVG: 498000 61.8226 32.6408 -5.06496 32.6408 -65.694 29.5204 -5.06493 29.5203 18.5146 GPRESSAVG: 498000 60.0439 33.601 -4.40104 30.4333 -64.6821 31.5555 -3.74511 30.4317 19.5848 TIMING: 498000 CPU: 1552.45, 0.00311813/step Wall: 1552.45, 0.00311813/step, 3.89939 hours remaining, 233.734375 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: 498000 4018.1874 20439.6455 14369.9613 251.9294 -203255.4825 2864.1859 0.0000 0.0000 52208.9416 -109102.6313 300.0455 -161311.5729 -108737.9979 299.2833 -57.0220 -25.7319 763569.4271 4.8811 4.9822 PRESSURE: 498200 6.20452 34.899 -83.6796 34.8989 -2.35595 124.218 -83.6791 124.217 179.437 GPRESSURE: 498200 54.3597 14.7264 -46.8474 -51.0132 18.7324 126.104 -102.158 -4.87008 212.794 PRESSAVG: 498200 -33.6359 29.749 24.2624 29.7491 6.0812 -28.5669 24.2624 -28.5668 -16.2655 GPRESSAVG: 498200 -32.9491 31.0915 24.7711 30.0491 6.28426 -27.9948 22.0591 -29.912 -16.6043 TIMING: 498200 CPU: 1553.07, 0.00310978/step Wall: 1553.07, 0.00310978/step, 3.88878 hours remaining, 233.734375 MB of memory in use. ENERGY: 498200 3960.8164 20497.6397 14400.3469 261.7907 -203360.2549 3099.8974 0.0000 0.0000 52036.0826 -109103.6813 299.0521 -161139.7640 -108751.4605 299.3995 61.0952 95.2954 764196.0282 -14.6067 -14.4230 PRESSURE: 498400 3.62792 -193.057 -125.339 -193.056 -221.421 -138.078 -125.339 -138.078 -248.385 GPRESSURE: 498400 50.8358 -112.992 -74.1138 -142.241 -298.567 -66.8801 -33.3533 -169.146 -133.646 PRESSAVG: 498400 -12.9168 -10.8817 14.4014 -10.8818 17.1132 13.1127 14.4014 13.1128 -9.00656 GPRESSAVG: 498400 -14.5174 -11.7505 14.5076 -9.89029 17.5727 12.6262 15.2296 13.101 -8.53095 TIMING: 498400 CPU: 1553.69, 0.00311269/step Wall: 1553.69, 0.00311269/step, 3.89225 hours remaining, 233.734375 MB of memory in use. ENERGY: 498400 4033.9769 20420.2347 14455.5168 249.3740 -202975.2669 2739.8347 0.0000 0.0000 51921.1467 -109155.1831 298.3915 -161076.3298 -108790.7868 299.3504 -155.3927 -127.1255 765119.1925 -1.6034 -1.8252 PRESSURE: 498600 -31.055 284.652 205.328 284.653 -333.772 100.856 205.328 100.856 5.62131 GPRESSURE: 498600 86.833 187.338 239.903 187.339 -334.838 -39.5534 147.219 290.327 -36.1466 PRESSAVG: 498600 15.4358 -29.267 -18.7619 -29.2669 -33.013 34.5642 -18.7619 34.5642 14.598 GPRESSAVG: 498600 17.4945 -31.1082 -18.6685 -29.7029 -34.6377 33.8576 -17.6527 35.1195 14.1692 TIMING: 498600 CPU: 1554.32, 0.00311727/step Wall: 1554.32, 0.00311727/step, 3.8978 hours remaining, 233.734375 MB of memory in use. ENERGY: 498600 4007.9988 20415.4478 14391.4069 256.4377 -203283.2698 2900.3767 0.0000 0.0000 51978.7395 -109332.8624 298.7225 -161311.6019 -108978.7706 299.3365 -119.7351 -94.7171 764349.0526 -0.9931 -0.9913 PRESSURE: 498800 59.3623 -161.513 329.985 -161.513 -377.793 -91.4254 329.985 -91.4255 35.9258 GPRESSURE: 498800 26.9534 -185.818 226.776 -84.7192 -265.926 -126.966 216.544 -144.683 49.9344 PRESSAVG: 498800 -50.3696 -30.3048 70.5677 -30.3048 32.4016 49.9761 70.5677 49.9761 12.544 GPRESSAVG: 498800 -51.678 -29.8258 70.468 -31.0608 34.8237 50.4277 67.0516 49.3224 11.9239 TIMING: 498800 CPU: 1554.94, 0.00311903/step Wall: 1554.94, 0.00311903/step, 3.89982 hours remaining, 233.734375 MB of memory in use. ENERGY: 498800 3955.7335 20508.1515 14406.4632 246.1007 -203302.0898 2767.5398 0.0000 0.0000 52050.9149 -109367.1860 299.1373 -161418.1010 -109009.0316 298.4779 -94.1684 -63.0126 763100.2336 -1.8080 -1.6434 PRESSURE: 499000 168.514 -8.60558 -147.957 -8.60607 133.005 70.9187 -147.956 70.9182 -6.23884 GPRESSURE: 499000 136.883 146.763 -162.622 117.347 189.323 36.9051 -30.4431 30.8018 34.4747 PRESSAVG: 499000 -49.937 9.56927 -7.25589 9.5692 71.3818 36.8059 -7.25583 36.8058 -3.2363 GPRESSAVG: 499000 -50.6365 11.4522 -6.75929 10.5045 70.6545 35.4635 -4.44449 37.4844 -1.90467 TIMING: 499000 CPU: 1555.56, 0.0031116/step Wall: 1555.56, 0.0031116/step, 3.89036 hours remaining, 233.734375 MB of memory in use. ENERGY: 499000 3947.8385 20530.4399 14429.7721 236.3569 -203814.2219 3337.3846 0.0000 0.0000 52149.2894 -109183.1405 299.7027 -161332.4298 -108821.4106 298.7144 98.4266 120.2270 762935.1629 6.0695 6.0378 PRESSURE: 499200 0.607987 -127.291 -134.217 -127.291 -263.75 -19.7639 -134.217 -19.7646 -278.365 GPRESSURE: 499200 17.8371 -107.821 -267.781 -120.621 -221.359 72.1368 -79.5998 -87.3753 -275.175 PRESSAVG: 499200 27.5982 24.6407 -7.81127 24.6406 -40.8339 33.1396 -7.81128 33.1396 -9.69292 GPRESSAVG: 499200 28.4522 23.8035 -8.42384 23.9272 -40.1998 34.1146 -7.96799 33.5298 -11.225 TIMING: 499200 CPU: 1556.18, 0.00310273/step Wall: 1556.18, 0.00310273/step, 3.8791 hours remaining, 233.734375 MB of memory in use. ENERGY: 499200 4058.9182 20598.2282 14356.8397 263.7824 -203121.2133 2829.8359 0.0000 0.0000 51830.8956 -109182.7134 297.8729 -161013.6091 -108821.7586 298.8358 -180.5024 -159.5657 765829.3084 -7.6429 -7.6576 PRESSURE: 499400 -24.6345 189.179 -67.4085 189.179 -130.384 -112.365 -67.41 -112.364 234.046 GPRESSURE: 499400 28.8269 -57.5161 -53.5407 276.273 -68.8078 -11.4845 92.8293 -64.5758 211.166 PRESSAVG: 499400 2.17695 28.7587 7.23767 28.7587 19.0076 -3.74547 7.23772 -3.74552 -36.2771 GPRESSAVG: 499400 2.6015 27.3972 8.99084 28.3975 19.1745 -2.36382 5.01962 -4.65274 -36.8545 TIMING: 499400 CPU: 1556.81, 0.00311231/step Wall: 1556.81, 0.00311231/step, 3.89091 hours remaining, 233.734375 MB of memory in use. ENERGY: 499400 3922.4859 20594.3635 14411.1045 246.3509 -203304.4245 2737.7025 0.0000 0.0000 52082.3393 -109310.0780 299.3179 -161392.4173 -108947.4990 299.0022 26.3423 57.0617 763821.9523 -5.0308 -5.0262 PRESSURE: 499600 34.5618 43.325 -191.134 43.3245 -26.8842 -23.1551 -191.135 -23.1563 467.04 GPRESSURE: 499600 66.2894 -40.1457 -245.655 33.5263 87.1879 7.27748 -179.062 13.1213 410.245 PRESSAVG: 499600 -40.4954 13.8955 -7.44757 13.8955 54.304 14.7579 -7.4476 14.7579 8.68072 GPRESSAVG: 499600 -41.3716 14.4963 -8.90944 15.0136 53.7337 13.4934 -5.25688 15.543 9.98802 TIMING: 499600 CPU: 1557.43, 0.00312408/step Wall: 1557.43, 0.00312408/step, 3.90544 hours remaining, 233.734375 MB of memory in use. ENERGY: 499600 3989.4553 20486.4652 14395.0770 245.3937 -203328.0433 2832.1856 0.0000 0.0000 52072.8369 -109306.6296 299.2633 -161379.4666 -108934.2450 299.2534 158.2393 187.9073 762553.8844 7.4964 7.4500 PRESSURE: 499800 -109.256 31.7016 7.49593 31.7009 -106.11 61.6112 7.49644 61.6118 -255.219 GPRESSURE: 499800 -87.393 147.455 6.3784 -54.1419 -37.2417 73.8003 -9.45384 36.8034 -263.949 PRESSAVG: 499800 3.16946 32.2537 10.3214 32.2536 20.9127 -15.0201 10.3214 -15.0201 -1.38669 GPRESSAVG: 499800 3.23091 31.6216 9.512 32.972 20.7282 -14.0231 11.0664 -15.101 -1.49425 TIMING: 499800 CPU: 1558.05, 0.00311524/step Wall: 1558.05, 0.00311524/step, 3.89423 hours remaining, 233.734375 MB of memory in use. ENERGY: 499800 4034.5921 20423.9494 14376.9564 255.1736 -202738.6713 2420.7130 0.0000 0.0000 52026.1906 -109201.0962 298.9952 -161227.2868 -108841.6956 299.2249 -156.8616 -129.5278 762551.1553 7.5651 7.4883 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 500000 WRITING COORDINATES TO RESTART FILE AT STEP 500000 FINISHED WRITING RESTART COORDINATES The last position output (seq=500000) takes 0.029 seconds, 233.734 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 500000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=500000) takes 0.019 seconds, 233.734 MB of memory in use PRESSURE: 500000 -189.878 149.686 -162.851 149.686 152.303 157.427 -162.852 157.427 74.7204 GPRESSURE: 500000 -105.366 207.14 -151.898 63.027 174.066 207.194 -147.856 228.115 52.9217 PRESSAVG: 500000 25.0336 19.9187 7.93914 19.9187 12.6068 17.8212 7.93915 17.8212 10.5071 GPRESSAVG: 500000 24.678 19.5812 8.5767 16.4932 12.4645 15.6352 5.04335 19.4785 10.6287 TIMING: 500000 CPU: 1558.72, 0.00335136/step Wall: 1558.72, 0.00335136/step, 4.1892 hours remaining, 233.734375 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: 500000 3979.2314 20571.9446 14475.4945 258.7256 -203012.3710 2617.4807 0.0000 0.0000 52086.1113 -109023.3827 299.3396 -161109.4940 -108653.0071 299.6834 12.3818 40.5407 762555.0911 16.0492 15.9237 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 500000 PRESSURE: 500200 150.262 -236.725 232.293 -236.725 265.392 166.138 232.293 166.137 182.907 GPRESSURE: 500200 137.58 -173.506 227.322 -203.863 309.821 154.052 204.323 269.34 204.694 PRESSAVG: 500200 14.2634 4.91248 27.9479 4.91247 4.81454 3.87485 27.9479 3.87491 15.9572 GPRESSAVG: 500200 13.9959 5.54644 28.4892 7.65438 4.23099 5.88665 28.993 3.59372 16.5554 TIMING: 500200 CPU: 1559.37, 0.00323177/step Wall: 1559.37, 0.00323177/step, 4.03953 hours remaining, 233.734375 MB of memory in use. ENERGY: 500200 3946.6275 20587.7400 14404.5554 234.5878 -203363.5914 3153.2640 0.0000 0.0000 52031.6701 -109005.1465 299.0267 -161036.8166 -108650.6107 299.7709 199.5202 217.3652 762559.3275 11.6784 11.5941 LDB: ============= START OF LOAD BALANCING ============== 1571.85 LDB: ============== END OF LOAD BALANCING =============== 1571.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1571.85 LDB: ============= START OF LOAD BALANCING ============== 1572.16 LDB: Largest compute 7052 load 0.031609 is 16.2% of average load 0.195005 LDB: Average compute 0.004369 is 2.2% of average load 0.195005 LDB: TIME 1572.17 LOAD: AVG 0.195005 MAX 0.216943 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.273 MB LDB: TIME 1572.17 LOAD: AVG 0.195005 MAX 0.216943 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.312 MB LDB: TIME 1572.17 LOAD: AVG 0.195005 MAX 0.216943 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.312 MB LDB: ============== END OF LOAD BALANCING =============== 1572.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1572.17 PRESSURE: 500400 122.957 -104.929 66.6563 -104.929 261.343 -23.8028 66.6563 -23.8038 -91.8791 GPRESSURE: 500400 280.149 -101.893 8.54845 -122.839 246.697 15.3107 -139.385 -138.802 -152.639 PRESSAVG: 500400 42.2335 -18.7586 16.1742 -18.7585 -26.9706 -0.263954 16.1742 -0.264001 -8.05358 GPRESSAVG: 500400 43.3859 -17.0665 15.5098 -19.5423 -26.3321 -0.957972 15.1476 -2.29067 -9.91254 TIMING: 500400 CPU: 1560.01, 0.00317617/step Wall: 1560.01, 0.00317617/step, 3.96986 hours remaining, 235.527344 MB of memory in use. ENERGY: 500400 4033.0586 20492.7066 14410.9665 257.5654 -202791.8051 2569.7787 0.0000 0.0000 52028.8539 -108998.8754 299.0105 -161027.7293 -108633.6889 299.7075 97.4738 124.7355 763707.1524 2.4031 2.3804 PRESSURE: 500600 -626.363 -33.1955 -61.3421 -33.1957 76.2394 -141.773 -61.3425 -141.772 -188.825 GPRESSURE: 500600 -590.144 50.196 -96.253 -103.591 69.8648 -84.0011 10.68 -214.357 -135.537 PRESSAVG: 500600 28.2802 -15.2298 0.285001 -15.2298 14.4168 45.8492 0.28499 45.8492 21.5924 GPRESSAVG: 500600 27.412 -16.9103 0.328789 -15.1735 14.8878 46.5763 2.92336 45.6134 21.7611 TIMING: 500600 CPU: 1560.63, 0.00309505/step Wall: 1560.63, 0.00309504/step, 3.86829 hours remaining, 235.726562 MB of memory in use. ENERGY: 500600 4038.3592 20562.3135 14478.8363 248.4042 -202953.4645 2626.9885 0.0000 0.0000 52032.2063 -108966.3566 299.0298 -160998.5629 -108600.0531 299.6805 -246.3163 -218.6053 765751.1124 21.4298 21.3537 PRESSURE: 500800 162.811 -172.674 149.807 -172.674 178.78 74.8902 149.806 74.8904 -354.581 GPRESSURE: 500800 199.416 -122.328 263.935 -26.6147 217.262 51.0311 76.04 -19.963 -339.533 PRESSAVG: 500800 20.5624 -48.9286 -0.0246016 -48.9286 -26.4427 6.44536 -0.0245997 6.44527 -18.3091 GPRESSAVG: 500800 21.3996 -46.9276 1.82706 -48.2461 -27.1266 5.11585 -2.00166 6.0852 -18.681 TIMING: 500800 CPU: 1561.25, 0.00310116/step Wall: 1561.25, 0.00310116/step, 3.87576 hours remaining, 235.726562 MB of memory in use. ENERGY: 500800 4003.1177 20639.3391 14389.3331 247.7483 -203051.5171 2702.8667 0.0000 0.0000 52103.1642 -108965.9481 299.4376 -161069.1123 -108609.1964 299.4489 -4.3300 25.7149 763648.8014 -8.0631 -8.1360 PRESSURE: 501000 70.7656 60.9926 77.0452 60.9941 -154.614 2.49133 77.0448 2.49013 52.8979 GPRESSURE: 501000 5.90354 -80.389 85.081 -8.15098 -96.9441 -34.5219 43.7383 7.80007 134.68 PRESSAVG: 501000 36.5508 33.4003 42.893 33.4004 -19.8662 -34.9161 42.893 -34.9161 -4.65853 GPRESSAVG: 501000 35.5787 30.8621 40.294 33.5003 -19.3971 -34.6745 44.8778 -33.7571 -3.62862 TIMING: 501000 CPU: 1561.86, 0.00309098/step Wall: 1561.86, 0.00309098/step, 3.86286 hours remaining, 235.726562 MB of memory in use. ENERGY: 501000 4034.7129 20641.3240 14382.8738 245.7488 -202905.3058 2936.5613 0.0000 0.0000 51785.4363 -108878.6486 297.6116 -160664.0849 -108522.2774 299.4757 -10.3168 14.5466 765062.6856 4.0087 4.1843 PRESSURE: 501200 13.9017 -54.216 91.0974 -54.2157 195.803 5.32808 91.0975 5.328 92.046 GPRESSURE: 501200 28.253 -8.96191 138.176 13.9884 167.412 35.5399 -139.104 13.24 165.911 PRESSAVG: 501200 -5.40027 -5.64924 6.35537 -5.64927 -6.15814 0.218017 6.35534 0.21799 25.6444 GPRESSAVG: 501200 -5.16477 -2.9435 8.55825 -6.94536 -6.07587 1.85466 2.11309 -0.738693 24.973 TIMING: 501200 CPU: 1562.48, 0.00310141/step Wall: 1562.48, 0.00310141/step, 3.87573 hours remaining, 235.726562 MB of memory in use. ENERGY: 501200 4023.5237 20745.6430 14435.1067 242.1140 -203244.1722 2957.9220 0.0000 0.0000 52071.3000 -108768.5627 299.2545 -160839.8627 -108407.3878 300.0026 100.5835 120.5253 764372.4504 4.6953 4.5774 PRESSURE: 501400 -278.332 -82.8444 -312.835 -82.8437 25.4785 264.513 -312.835 264.513 -202.154 GPRESSURE: 501400 -192.861 -44.7242 -356.767 -137.508 37.8338 342.364 -273.444 260.787 -206.934 PRESSAVG: 501400 -9.27777 -46.2419 -43.9111 -46.2419 -5.35865 -47.9659 -43.9112 -47.9659 2.68157 GPRESSAVG: 501400 -8.4749 -48.737 -44.0684 -45.6758 -6.02172 -48.7358 -40.6943 -46.8373 2.9972 TIMING: 501400 CPU: 1563.1, 0.00310309/step Wall: 1563.1, 0.00310309/step, 3.87766 hours remaining, 235.726562 MB of memory in use. ENERGY: 501400 4056.4793 20453.1047 14441.6932 246.7977 -203645.4962 3420.3282 0.0000 0.0000 51999.9363 -109027.1568 298.8443 -161027.0932 -108660.7788 299.3701 -151.6693 -120.6538 763380.0773 -3.9849 -3.8331 PRESSURE: 501600 -235.815 -4.73831 -141.12 -4.73926 -308.885 -172.726 -141.121 -172.726 -221.791 GPRESSURE: 501600 -236.707 148.963 -57.1063 13.287 -260.632 -89.993 -162.73 -235.489 -159.899 PRESSAVG: 501600 22.267 -73.831 -46.8839 -73.8309 -15.7248 22.6213 -46.8839 22.6213 11.5727 GPRESSAVG: 501600 21.4718 -72.791 -45.933 -74.3073 -15.1013 22.7935 -47.9102 20.7693 11.7925 TIMING: 501600 CPU: 1563.73, 0.00311979/step Wall: 1563.73, 0.00311979/step, 3.89835 hours remaining, 235.726562 MB of memory in use. ENERGY: 501600 4092.0026 20652.9887 14397.1650 227.2765 -203082.3314 2816.8515 0.0000 0.0000 51937.4728 -108958.5742 298.4854 -160896.0470 -108601.2700 299.4205 -255.4970 -219.0791 764645.8130 6.0383 6.0543 PRESSURE: 501800 -123.153 -43.2061 -8.44909 -43.2059 -360.099 307.622 -8.44939 307.621 64.2356 GPRESSURE: 501800 -79.3128 -74.4613 67.1047 25.4493 -278.248 358.988 29.6194 376.667 33.4069 PRESSAVG: 501800 -19.8228 44.3517 -33.5775 44.3518 12.8783 14.2455 -33.5775 14.2455 -21.9549 GPRESSAVG: 501800 -20.0059 45.0894 -33.8484 42.0082 13.2566 13.6159 -34.0919 15.863 -22.5895 TIMING: 501800 CPU: 1564.36, 0.00313313/step Wall: 1564.36, 0.00313313/step, 3.91484 hours remaining, 235.726562 MB of memory in use. ENERGY: 501800 4053.9760 20535.9928 14384.3550 249.9574 -202823.1020 2726.7580 0.0000 0.0000 52224.4818 -108647.5809 300.1348 -160872.0627 -108271.2940 299.9090 -139.6722 -108.0513 763477.2646 -9.6331 -9.7796 PRESSURE: 502000 -358.607 -154.222 -8.54044 -154.223 -205.478 50.5516 -8.54069 50.5533 367.177 GPRESSURE: 502000 -353.569 -138.929 4.81305 -25.6449 -85.5421 -15.3617 69.4723 107.761 331.709 PRESSAVG: 502000 11.0264 25.899 -9.85341 25.899 -34.0545 19.5864 -9.85345 19.5864 15.6807 GPRESSAVG: 502000 12.1186 23.2025 -10.5964 29.5305 -35.0319 21.3741 -9.26712 19.0401 15.7955 TIMING: 502000 CPU: 1564.98, 0.00310251/step Wall: 1564.98, 0.00310251/step, 3.87641 hours remaining, 235.726562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 502000 4052.0279 20368.8377 14345.9096 238.9652 -203101.1348 2803.9068 0.0000 0.0000 52304.9497 -108986.5378 300.5973 -161291.4875 -108608.0449 299.8460 -65.6363 -35.8009 765001.5182 -2.4491 -2.3726 PRESSURE: 502200 36.3125 -135.12 -250.395 -135.12 -13.0442 182.566 -250.394 182.566 109.838 GPRESSURE: 502200 112.629 -141.822 -236.769 -44.3251 54.336 92.6082 -148.604 272.489 40.6902 PRESSAVG: 502200 37.955 56.8852 -21.4648 56.8852 -49.4611 20.0359 -21.4649 20.036 3.27403 GPRESSAVG: 502200 36.6335 58.5365 -21.7787 54.8522 -47.7816 17.9832 -18.772 21.0302 2.85574 TIMING: 502200 CPU: 1565.6, 0.00309686/step Wall: 1565.6, 0.00309686/step, 3.86919 hours remaining, 235.726562 MB of memory in use. ENERGY: 502200 4083.8476 20610.9696 14342.3738 245.1847 -203480.2099 3078.6402 0.0000 0.0000 52073.0834 -109046.1106 299.2647 -161119.1940 -108681.8438 299.8063 44.3689 69.2185 764491.1344 -2.7440 -2.7641 PRESSURE: 502400 -75.3727 358.029 30.7835 358.029 298.721 -25.6636 30.783 -25.6633 -387.302 GPRESSURE: 502400 -70.0185 330.308 -1.97122 321.807 252.515 -136.051 135.484 -193.265 -288.086 PRESSAVG: 502400 -10.9267 31.6797 -6.52886 31.6797 -1.96621 -9.94454 -6.52883 -9.94457 -0.173496 GPRESSAVG: 502400 -9.769 31.1539 -7.22006 29.8555 -3.07184 -10.2189 -8.01453 -10.2983 -0.804824 TIMING: 502400 CPU: 1566.22, 0.0031059/step Wall: 1566.22, 0.0031059/step, 3.88031 hours remaining, 235.726562 MB of memory in use. ENERGY: 502400 4051.6136 20473.4548 14309.7040 259.2639 -203176.1398 2878.9515 0.0000 0.0000 51927.8840 -109275.2680 298.4303 -161203.1519 -108915.7086 298.8332 -54.6512 -35.1967 764332.8904 -4.3555 -4.5486 PRESSURE: 502600 -504.297 -31.2078 -100.005 -31.2082 -108.902 -55.8382 -100.004 -55.8372 -302.459 GPRESSURE: 502600 -467.035 -48.1194 -26.1765 -60.1534 -150.166 -95.8294 -28.5174 -114.234 -216.95 PRESSAVG: 502600 -38.2538 -9.62547 5.26475 -9.62551 36.5317 -15.4532 5.26473 -15.4532 13.9275 GPRESSAVG: 502600 -39.4696 -10.395 7.25533 -8.10155 36.445 -14.9225 5.56145 -13.8948 15.3238 TIMING: 502600 CPU: 1566.84, 0.00309952/step Wall: 1566.84, 0.00309952/step, 3.87216 hours remaining, 235.726562 MB of memory in use. ENERGY: 502600 3952.1298 20456.4858 14370.8757 246.7449 -202114.0322 2141.5554 0.0000 0.0000 51617.7722 -109328.4684 296.6480 -160946.2406 -108966.3817 297.9875 -305.2196 -278.0502 765590.8131 4.0685 4.0997 PRESSURE: 502800 25.8548 89.5028 -43.1424 89.5029 141.55 -58.5711 -43.143 -58.5709 -206.749 GPRESSURE: 502800 34.9802 117.897 -94.9709 158.539 167.269 -96.2656 -17.5261 -122.574 -146.048 PRESSAVG: 502800 -60.9746 10.3242 -12.6586 10.3242 25.7776 -28.8061 -12.6586 -28.8061 11.1606 GPRESSAVG: 502800 -60.9935 11.377 -11.7083 9.52952 26.1299 -28.669 -15.0607 -30.6751 10.9368 TIMING: 502800 CPU: 1567.46, 0.00312126/step Wall: 1567.46, 0.00312126/step, 3.89915 hours remaining, 235.726562 MB of memory in use. ENERGY: 502800 3985.5546 20273.6573 14406.6543 230.5332 -203239.4161 2947.6793 0.0000 0.0000 51991.5901 -109403.7473 298.7964 -161395.3374 -109036.3713 298.0786 -13.1145 18.7340 764239.4170 -8.0121 -7.9756 PRESSURE: 503000 -535.087 -134.726 349.395 -134.725 -90.7306 -42.6899 349.395 -42.6908 -94.7838 GPRESSURE: 503000 -474.489 -119.666 275.958 -173.274 -146.718 -76.5565 242.167 -84.1364 2.16913 PRESSAVG: 503000 -23.2918 30.098 32.4741 30.098 19.197 -33.8218 32.4741 -33.8218 -7.4715 GPRESSAVG: 503000 -21.4091 29.0484 31.3021 32.1011 18.9811 -34.633 34.5418 -35.1784 -9.5903 TIMING: 503000 CPU: 1568.08, 0.00310738/step Wall: 1568.08, 0.00310738/step, 3.88163 hours remaining, 235.726562 MB of memory in use. ENERGY: 503000 4008.1300 20308.1086 14402.2017 244.0678 -202864.9995 2745.6899 0.0000 0.0000 52161.6614 -108995.1401 299.7738 -161156.8015 -108631.9830 298.9131 -240.2005 -206.3459 764987.1680 -3.8555 -4.0061 PRESSURE: 503200 -71.7515 199.129 -140.821 199.129 104.554 8.42186 -140.822 8.42213 4.58153 GPRESSURE: 503200 -93.8577 76.9433 -180.669 185.014 136.085 89.006 -122.935 86.3033 70.0234 PRESSAVG: 503200 4.518 70.9783 26.5786 70.9784 -7.1962 -36.9512 26.5787 -36.9512 13.5394 GPRESSAVG: 503200 3.45705 73.4635 25.4582 69.6888 -8.08093 -36.3132 25.6586 -34.4463 15.376 TIMING: 503200 CPU: 1568.7, 0.0031042/step Wall: 1568.7, 0.0031042/step, 3.87749 hours remaining, 235.726562 MB of memory in use. ENERGY: 503200 3978.1977 20716.4997 14425.1212 245.7166 -203222.5205 2939.6637 0.0000 0.0000 52028.6893 -108888.6324 299.0096 -160917.3217 -108527.3810 299.5680 12.4615 37.4168 763514.4114 3.6204 3.5840 PRESSURE: 503400 214.424 -105.868 63.7277 -105.869 -130.955 -63.5581 63.7281 -63.5589 -138.136 GPRESSURE: 503400 235.655 -160.519 130.299 -181.034 -70.5553 -90.2038 41.7856 -114.544 -141.717 PRESSAVG: 503400 -1.06948 28.2967 12.9025 28.2967 -7.97256 -44.4166 12.9025 -44.4166 6.32231 GPRESSAVG: 503400 -0.798538 27.1259 14.4573 27.1353 -6.98683 -45.2957 13.226 -44.5027 5.05698 TIMING: 503400 CPU: 1569.32, 0.00310648/step Wall: 1569.32, 0.00310648/step, 3.88017 hours remaining, 235.726562 MB of memory in use. ENERGY: 503400 3966.5624 20572.2159 14438.6528 243.3481 -203034.4700 2848.9761 0.0000 0.0000 52137.0918 -108827.6228 299.6326 -160964.7146 -108466.4875 299.5151 -18.2224 7.7940 767117.4607 -0.9066 -0.9095 PRESSURE: 503600 111.406 66.8045 197.497 66.8044 237.286 -117.253 197.498 -117.252 104.343 GPRESSURE: 503600 113.617 212.627 125.503 70.0203 315.78 -207.661 215.113 -213.42 120.889 PRESSAVG: 503600 -10.83 16.3391 15.1627 16.3392 3.79681 17.4956 15.1628 17.4957 -3.05377 GPRESSAVG: 503600 -9.17103 15.0354 12.9139 19.1833 2.23927 19.2508 14.8991 15.6102 -3.31444 TIMING: 503600 CPU: 1569.94, 0.00309807/step Wall: 1569.94, 0.00309807/step, 3.86949 hours remaining, 235.726562 MB of memory in use. ENERGY: 503600 3947.8688 20505.0745 14442.8468 243.9393 -203090.4936 3016.0283 0.0000 0.0000 51889.0497 -109045.6862 298.2071 -160934.7359 -108680.9703 298.9842 151.0116 183.4288 765560.3958 -3.3623 -3.4154 PRESSURE: 503800 24.1968 -32.3829 124.707 -32.3819 -303.444 -135.92 124.708 -135.92 -135.911 GPRESSURE: 503800 3.63399 -46.5848 59.3563 -46.1707 -226.023 -149.943 154.918 -98.1845 -114.588 PRESSAVG: 503800 1.13724 -12.4194 12.813 -12.4194 -33.6876 -26.3298 12.813 -26.3298 -13.4065 GPRESSAVG: 503800 -0.691394 -10.7806 12.9126 -13.6172 -33.0823 -27.249 13.6325 -23.6186 -12.2349 TIMING: 503800 CPU: 1570.56, 0.00310356/step Wall: 1570.56, 0.00310356/step, 3.87618 hours remaining, 235.726562 MB of memory in use. ENERGY: 503800 3996.7335 20474.9157 14418.5797 238.3366 -202955.5915 2735.9446 0.0000 0.0000 52035.4285 -109055.6530 299.0483 -161091.0814 -108700.8490 298.3846 -138.3860 -112.3257 765210.5596 -15.3189 -15.3362 PRESSURE: 504000 -261.393 -241.97 22.1692 -241.97 -177.645 24.7319 22.1697 24.7322 -102.494 GPRESSURE: 504000 -175.486 -168.561 21.4606 -241.063 -238.76 -23.4842 161.064 -19.4454 -36.8277 PRESSAVG: 504000 58.0963 -24.1397 -20.3622 -24.1396 -70.728 40.2777 -20.3621 40.2777 0.993001 GPRESSAVG: 504000 58.0761 -23.6193 -18.977 -23.5883 -71.1177 40.3807 -19.3427 37.7746 1.28802 TIMING: 504000 CPU: 1571.19, 0.00310328/step Wall: 1571.19, 0.00310328/step, 3.87565 hours remaining, 235.726562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 504000 4043.7372 20587.2736 14364.7076 254.7040 -202852.0289 2768.8196 0.0000 0.0000 51857.1549 -108975.6321 298.0238 -160832.7870 -108619.2185 299.3285 -180.5108 -150.3580 767343.6049 -3.8796 -3.9179 PRESSURE: 504200 72.5459 52.7994 166.622 52.7988 62.1959 -196.525 166.622 -196.526 -125.492 GPRESSURE: 504200 88.716 99.3755 165.072 -36.3289 98.0849 -348.875 123.593 -173.646 -83.5375 PRESSAVG: 504200 -3.36779 -26.4871 22.3654 -26.4871 40.8179 40.299 22.3654 40.299 -8.68263 GPRESSAVG: 504200 -3.44648 -26.1341 22.5981 -26.4134 41.1489 39.4985 22.0019 41.9188 -9.03276 TIMING: 504200 CPU: 1571.81, 0.00310424/step Wall: 1571.81, 0.00310424/step, 3.87668 hours remaining, 235.726562 MB of memory in use. ENERGY: 504200 3993.9596 20601.0338 14380.0767 253.1918 -203044.3027 2777.1853 0.0000 0.0000 52056.6417 -108982.2137 299.1702 -161038.8555 -108619.0545 298.7530 3.0833 34.4211 764148.0580 9.5892 9.5565 LDB: ============= START OF LOAD BALANCING ============== 1584.28 LDB: ============== END OF LOAD BALANCING =============== 1584.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1584.28 LDB: ============= START OF LOAD BALANCING ============== 1584.59 LDB: Largest compute 7010 load 0.030878 is 15.8% of average load 0.195000 LDB: Average compute 0.004364 is 2.2% of average load 0.195000 LDB: TIME 1584.6 LOAD: AVG 0.195 MAX 0.213343 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.531 MB LDB: TIME 1584.6 LOAD: AVG 0.195 MAX 0.213343 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.531 MB LDB: TIME 1584.6 LOAD: AVG 0.195 MAX 0.213343 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.531 MB LDB: ============== END OF LOAD BALANCING =============== 1584.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1584.6 PRESSURE: 504400 -213.453 -98.9318 -128.626 -98.9316 -35.5953 343.485 -128.627 343.487 118.945 GPRESSURE: 504400 -114.042 -23.1083 -80.3509 19.693 -69.2114 300.311 -110.757 326.054 128.768 PRESSAVG: 504400 10.936 -11.4917 31.8095 -11.4916 44.3998 25.162 31.8095 25.162 16.3066 GPRESSAVG: 504400 10.9372 -13.4178 31.794 -12.6796 44.5159 25.3916 32.9216 25.2553 15.5909 TIMING: 504400 CPU: 1572.44, 0.0031595/step Wall: 1572.44, 0.0031595/step, 3.94552 hours remaining, 234.812500 MB of memory in use. ENERGY: 504400 3961.6883 20426.1481 14348.6386 244.3123 -203338.1373 3105.7233 0.0000 0.0000 52207.9058 -109043.7209 300.0396 -161251.6267 -108684.7514 299.3798 -43.3679 -18.1618 763490.8757 23.8808 23.6813 PRESSURE: 504600 -74.3954 -308.195 86.9976 -308.195 -287.59 103.028 86.9978 103.028 -179.594 GPRESSURE: 504600 -41.7083 -195.27 52.4738 -253.936 -153.046 156.001 43.1156 58.8617 -245.734 PRESSAVG: 504600 9.87419 79.2496 2.32115 79.2496 -17.2578 23.528 2.32122 23.5281 -11.2582 GPRESSAVG: 504600 8.1759 81.7126 2.7543 79.4412 -17.0044 23.8421 1.14778 20.8865 -10.1059 TIMING: 504600 CPU: 1573.06, 0.00311525/step Wall: 1573.06, 0.00311525/step, 3.89008 hours remaining, 235.015625 MB of memory in use. ENERGY: 504600 4050.7860 20525.2325 14410.2468 255.2389 -202922.0477 2622.6961 0.0000 0.0000 52051.5383 -109006.3091 299.1409 -161057.8473 -108622.2280 299.2935 -180.5265 -146.8295 763774.6304 -6.2139 -6.3115 PRESSURE: 504800 -180.586 151.425 -18.0537 151.425 -44.8631 -129.888 -18.0537 -129.887 61.3614 GPRESSURE: 504800 -236.543 219.624 -3.35628 128.08 49.301 -200.584 -89.7439 -64.7417 124.803 PRESSAVG: 504800 53.3842 12.4201 -38.4827 12.4201 -5.24111 -5.11844 -38.4827 -5.11845 9.4501 GPRESSAVG: 504800 53.5654 10.4331 -39.021 12.8783 -5.56488 -5.28081 -39.3292 -4.61063 9.65375 TIMING: 504800 CPU: 1573.68, 0.00311493/step Wall: 1573.68, 0.00311493/step, 3.8895 hours remaining, 235.015625 MB of memory in use. ENERGY: 504800 3936.5567 20550.1328 14445.5945 239.2627 -203055.3865 2751.2067 0.0000 0.0000 52071.9329 -109060.7001 299.2581 -161132.6330 -108709.5887 299.0488 -54.6959 -20.8128 764434.6537 19.1977 19.2181 PRESSURE: 505000 -61.0083 21.5205 6.01228 21.5202 -55.2657 126.15 6.01285 126.15 -107.505 GPRESSURE: 505000 37.2756 113.976 -57.8622 50.9399 -81.3616 111.227 132.86 58.2196 -108.744 PRESSAVG: 505000 13.5065 14.1806 -4.74808 14.1806 -45.5279 30.6281 -4.7481 30.6281 15.8797 GPRESSAVG: 505000 14.3087 15.9457 -3.59771 14.346 -46.4252 31.0473 -5.62971 32.7171 15.8688 TIMING: 505000 CPU: 1574.31, 0.00311066/step Wall: 1574.31, 0.00311066/step, 3.884 hours remaining, 235.015625 MB of memory in use. ENERGY: 505000 4010.2386 20517.4393 14430.5667 252.3644 -203492.7127 2992.4857 0.0000 0.0000 52185.0268 -109104.5911 299.9081 -161289.6179 -108751.9659 299.2356 -74.5931 -50.9434 764534.2880 -5.3806 -5.4159 PRESSURE: 505200 -13.9332 194.632 -95.2561 194.633 8.96296 192.14 -95.2565 192.142 45.216 GPRESSURE: 505200 -48.6037 182.844 -166.925 185.979 72.5375 175.249 -49.2716 100.154 98.7926 PRESSAVG: 505200 -0.663192 4.39806 16.9386 4.39805 0.299486 14.066 16.9386 14.066 5.62143 GPRESSAVG: 505200 -1.79086 6.23991 15.7618 4.69903 1.38617 13.0604 18.5177 11.8675 5.29998 TIMING: 505200 CPU: 1574.93, 0.003103/step Wall: 1574.93, 0.003103/step, 3.87427 hours remaining, 235.015625 MB of memory in use. ENERGY: 505200 4038.5000 20599.7941 14372.9553 242.2654 -203179.6349 2983.6942 0.0000 0.0000 51858.5307 -109083.8951 298.0317 -160942.4258 -108727.9617 299.5773 13.4152 40.9088 763905.4480 1.7526 1.6318 PRESSURE: 505400 -293.299 -217.216 -365.524 -217.217 -82.1886 -148.304 -365.525 -148.304 353.596 GPRESSURE: 505400 -236.801 -107.982 -344.926 -135.545 15.5068 -77.8442 -331.13 -71.7448 276.363 PRESSAVG: 505400 -20.3983 54.9801 -75.2449 54.9801 0.0681644 -14.4224 -75.2448 -14.4223 4.23268 GPRESSAVG: 505400 -18.4782 51.7444 -76.0005 56.2476 -0.467458 -14.0893 -74.1589 -13.8944 3.41755 TIMING: 505400 CPU: 1575.55, 0.00311349/step Wall: 1575.55, 0.00311349/step, 3.8872 hours remaining, 235.015625 MB of memory in use. ENERGY: 505400 3918.5174 20597.4740 14385.5484 264.2071 -202874.5878 2717.8649 0.0000 0.0000 51810.1680 -109180.8081 297.7537 -160990.9760 -108828.3252 298.5714 -7.2973 18.3563 764888.8860 -5.3658 -5.1760 PRESSURE: 505600 272.435 40.2333 200.103 40.2327 153.833 -34.6684 200.103 -34.6687 474.4 GPRESSURE: 505600 238.415 10.5123 194.241 64.0274 237.872 -134.017 158.218 -80.8644 481.811 PRESSAVG: 505600 23.2743 16.5235 -69.1842 16.5236 -32.5276 37.2433 -69.1842 37.2433 6.41898 GPRESSAVG: 505600 22.5574 16.68 -68.8062 15.2617 -32.2716 36.8685 -70.4299 37.5645 7.32721 TIMING: 505600 CPU: 1576.17, 0.00310808/step Wall: 1576.17, 0.00310808/step, 3.88026 hours remaining, 235.015625 MB of memory in use. ENERGY: 505600 3874.9783 20499.0933 14468.7352 248.6942 -203141.1631 3098.4367 0.0000 0.0000 51867.1453 -109084.0801 298.0812 -160951.2254 -108728.8289 298.7179 300.2229 319.3661 763522.1907 -0.9448 -0.7957 PRESSURE: 505800 -71.5449 -35.1737 160.197 -35.1742 -42.9884 65.32 160.197 65.3212 -282.607 GPRESSURE: 505800 -109.679 -56.415 110.944 -163.973 -23.5679 110.957 -15.1341 45.2677 -196.201 PRESSAVG: 505800 11.0099 -3.63122 -25.3588 -3.63117 35.4472 7.83631 -25.3588 7.83636 2.76924 GPRESSAVG: 505800 10.737 -2.92868 -25.9479 -5.14 35.4632 8.5792 -24.1118 6.29148 3.02494 TIMING: 505800 CPU: 1576.79, 0.00311826/step Wall: 1576.79, 0.00311826/step, 3.89281 hours remaining, 235.015625 MB of memory in use. ENERGY: 505800 3966.2836 20450.1028 14307.1495 244.4891 -202938.0683 2943.1908 0.0000 0.0000 52017.7354 -109009.1170 298.9466 -161026.8525 -108647.9758 299.1151 -132.3802 -109.8160 765616.3181 16.4088 16.4084 PRESSURE: 506000 231.442 39.5658 349.211 39.566 246.79 -5.79559 349.211 -5.79508 241.475 GPRESSURE: 506000 287.535 53.942 336.134 124.374 250.398 -10.7517 230.81 94.3858 275.928 PRESSAVG: 506000 38.3004 20.8104 19.7686 20.8104 -32.6808 6.92658 19.7686 6.92653 3.50888 GPRESSAVG: 506000 37.8989 19.7153 21.1628 23.3032 -31.7812 8.4968 18.9792 8.60611 2.92375 TIMING: 506000 CPU: 1577.42, 0.00312008/step Wall: 1577.42, 0.00312008/step, 3.8949 hours remaining, 235.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 506000 3934.8002 20370.5776 14435.2464 264.9900 -203155.2549 3272.6571 0.0000 0.0000 52120.1865 -108756.7971 299.5354 -160876.9836 -108383.1783 299.5233 239.9026 271.2868 764670.0041 3.0428 3.0138 PRESSURE: 506200 -243.932 106.115 -89.5997 106.115 -428.978 -44.7347 -89.5998 -44.7347 4.78563 GPRESSURE: 506200 -257.55 53.1118 -163.039 106.546 -298.5 -30.0486 7.08246 51.2645 -37.6435 PRESSAVG: 506200 -5.79879 -9.82393 56.0234 -9.82393 -1.09503 13.1671 56.0233 13.167 5.93584 GPRESSAVG: 506200 -5.38473 -9.51529 55.1968 -9.06378 -1.2226 11.1981 54.2753 14.2528 5.66068 TIMING: 506200 CPU: 1578.04, 0.00311502/step Wall: 1578.04, 0.00311502/step, 3.88841 hours remaining, 235.015625 MB of memory in use. ENERGY: 506200 4017.9887 20617.1007 14424.8658 239.0020 -202353.8200 2611.1574 0.0000 0.0000 51862.9286 -108580.7767 298.0570 -160443.7054 -108224.7931 299.3939 -222.7081 -197.8980 766924.3648 -0.3193 -0.3156 PRESSURE: 506400 34.3128 -80.1688 -58.4196 -80.1676 -72.3517 226.437 -58.419 226.437 -24.2722 GPRESSURE: 506400 104.758 -80.2834 -80.9212 -44.7635 -143.373 209.627 73.1634 255.73 38.0781 PRESSAVG: 506400 22.7975 10.3907 31.2403 10.3908 -25.564 -3.56513 31.2403 -3.56505 2.21472 GPRESSAVG: 506400 23.4229 12.2301 30.7177 9.19015 -25.3375 -3.81465 32.7561 -3.54366 1.4469 TIMING: 506400 CPU: 1578.67, 0.00312519/step Wall: 1578.67, 0.00312519/step, 3.90093 hours remaining, 235.015625 MB of memory in use. ENERGY: 506400 3981.5376 20734.8376 14429.8324 274.4933 -202928.1010 2710.9026 0.0000 0.0000 52220.2694 -108576.2281 300.1106 -160796.4975 -108212.1322 299.6807 -20.7704 -0.1790 764585.8236 -0.1839 -0.1559 PRESSURE: 506600 199.692 133.913 -80.5594 133.913 -157.169 -106.899 -80.5595 -106.899 51.0601 GPRESSURE: 506600 273.397 87.1314 -109.484 -41.7912 -214.976 -103.104 7.86279 -129.895 115.069 PRESSAVG: 506600 57.5113 30.1514 81.6846 30.1515 -94.9797 -1.81959 81.6847 -1.81966 7.65507 GPRESSAVG: 506600 56.7582 28.1127 83.5739 29.7314 -94.9677 -1.05594 79.6756 -2.28196 8.50354 TIMING: 506600 CPU: 1579.29, 0.00311383/step Wall: 1579.29, 0.00311383/step, 3.88657 hours remaining, 235.015625 MB of memory in use. ENERGY: 506600 3971.7978 20568.6615 14474.6479 254.4583 -203145.5986 2946.8188 0.0000 0.0000 52097.7460 -108831.4683 299.4065 -160929.2144 -108483.0250 299.8690 31.1945 57.8301 765397.1946 -9.9378 -9.9020 PRESSURE: 506800 -463.987 97.029 -22.5573 97.0302 210.644 51.1954 -22.5568 51.1946 -248.989 GPRESSURE: 506800 -391.995 128.019 -36.0949 6.07684 177.662 50.4927 2.6462 115.936 -217.882 PRESSAVG: 506800 1.9888 -5.18771 -28.6887 -5.18776 1.53095 -26.1307 -28.6887 -26.1308 3.47388 GPRESSAVG: 506800 3.5527 -3.88329 -29.3573 -7.04709 0.348165 -25.277 -27.7484 -25.1867 3.10094 TIMING: 506800 CPU: 1579.91, 0.00310798/step Wall: 1579.91, 0.00310798/step, 3.87911 hours remaining, 235.015625 MB of memory in use. ENERGY: 506800 4080.0712 20630.1706 14398.7057 245.8906 -202665.6850 2674.9016 0.0000 0.0000 51923.5343 -108712.4110 298.4053 -160635.9453 -108352.8690 299.8538 -167.4439 -144.0716 767132.5904 2.3312 2.3339 PRESSURE: 507000 -280.779 0.150779 -56.0042 0.151152 -15.3521 146.515 -56.004 146.515 -516.709 GPRESSURE: 507000 -257.824 7.90622 -125.91 47.6416 9.15053 158.904 -59.6508 242.254 -471.451 PRESSAVG: 507000 5.3647 -24.2133 2.93678 -24.2134 -25.3346 10.5635 2.93674 10.5635 -11.4527 GPRESSAVG: 507000 4.3046 -24.8343 4.41836 -22.9222 -24.2701 8.36706 2.58728 10.1158 -11.0132 TIMING: 507000 CPU: 1580.53, 0.00311718/step Wall: 1580.53, 0.00311718/step, 3.89042 hours remaining, 235.015625 MB of memory in use. ENERGY: 507000 4121.2897 20554.3187 14434.5092 250.3242 -202906.8959 2704.3636 0.0000 0.0000 52228.4760 -108613.6145 300.1578 -160842.0905 -108255.0211 299.9242 -270.9467 -240.0413 765966.4062 -10.4742 -10.3262 PRESSURE: 507200 -308.428 -16.4017 -116.416 -16.4014 -307.332 -180.875 -116.417 -180.876 -122.047 GPRESSURE: 507200 -383.093 61.1482 -142.604 22.906 -188.209 -172.73 -111.752 -162.643 -100.614 PRESSAVG: 507200 23.7828 20.5998 -25.4209 20.5998 -51.109 66.8267 -25.4209 66.8266 1.25123 GPRESSAVG: 507200 24.9672 21.5584 -25.8688 20.4577 -51.5781 69.2779 -26.6755 64.2317 0.287744 TIMING: 507200 CPU: 1581.16, 0.00311985/step Wall: 1581.16, 0.00311985/step, 3.89357 hours remaining, 235.015625 MB of memory in use. ENERGY: 507200 4038.0595 20550.7684 14419.5196 226.5978 -203081.7086 2852.5544 0.0000 0.0000 52264.8898 -108729.3190 300.3670 -160994.2089 -108362.8396 300.2538 -245.9359 -223.9718 765662.8957 -8.6917 -8.7744 PRESSURE: 507400 -270.531 -143.272 104.506 -143.271 -353.413 112.004 104.506 112.005 -235.671 GPRESSURE: 507400 -221.811 -164.055 74.7205 -138.577 -360.661 84.6838 82.5251 121.42 -195.326 PRESSAVG: 507400 -45.5161 17.3609 3.8129 17.3609 -25.4577 75.3143 3.81301 75.3143 0.42879 GPRESSAVG: 507400 -46.4431 14.2157 3.20797 16.4303 -25.7293 73.3171 4.77349 77.9789 1.58084 TIMING: 507400 CPU: 1581.78, 0.00312993/step Wall: 1581.78, 0.00312993/step, 3.90598 hours remaining, 235.015625 MB of memory in use. ENERGY: 507400 3966.6143 20513.8943 14423.4129 258.2209 -202818.0445 2611.6771 0.0000 0.0000 52234.6312 -108809.5937 300.1931 -161044.2249 -108460.8934 300.0933 -286.5382 -259.2660 765831.2748 -23.5150 -23.5305 PRESSURE: 507600 -160.589 -225.149 -116.021 -225.149 -320.193 199.862 -116.021 199.862 -84.2097 GPRESSURE: 507600 -119.555 -228.93 -220.549 -273.25 -267.292 234.242 -113.382 209.742 -115.817 PRESSAVG: 507600 40.6694 -6.56494 -50.4058 -6.56495 -94.8386 -13.7214 -50.4058 -13.7214 17.2058 GPRESSAVG: 507600 41.7814 -3.94994 -52.7984 -4.47148 -94.579 -11.8429 -49.7722 -15.5442 15.5624 TIMING: 507600 CPU: 1582.41, 0.00312883/step Wall: 1582.41, 0.00312883/step, 3.90444 hours remaining, 235.015625 MB of memory in use. ENERGY: 507600 4000.1228 20595.6009 14405.3562 252.6585 -202766.1081 2773.5282 0.0000 0.0000 52170.3394 -108568.5022 299.8237 -160738.8415 -108207.1797 299.8600 -188.3304 -167.5548 766175.4397 -12.3211 -12.4117 PRESSURE: 507800 41.9955 -86.4056 -311.513 -86.4055 -290.354 -213.44 -311.513 -213.441 -267.109 GPRESSURE: 507800 99.5203 -28.884 -247.593 -62.8617 -298.145 -273.268 -153.678 -217.06 -240.873 PRESSAVG: 507800 6.93064 -17.8675 20.036 -17.8674 -41.7736 8.74308 20.036 8.74309 6.12903 GPRESSAVG: 507800 5.84988 -19.1553 22.8007 -16.8514 -41.6668 9.72631 19.6354 8.76355 6.8022 TIMING: 507800 CPU: 1583.04, 0.00313089/step Wall: 1583.04, 0.00313089/step, 3.90683 hours remaining, 235.015625 MB of memory in use. ENERGY: 507800 4006.2344 20809.7709 14406.7233 252.3838 -203119.6560 3102.3327 0.0000 0.0000 51989.4666 -108552.7443 298.7842 -160542.2108 -108199.5477 299.9721 -171.8224 -146.4991 764241.8362 -9.5713 -9.6716 PRESSURE: 508000 -71.8255 -47.4923 25.5459 -47.493 -177.246 -80.9505 25.5461 -80.9511 -676.679 GPRESSURE: 508000 91.4576 9.09243 50.1136 -29.4464 -202.707 -76.5788 -92.4673 -68.3273 -723.634 PRESSAVG: 508000 37.7197 9.57422 7.14335 9.57419 -41.1649 -1.21867 7.14326 -1.21867 -11.1015 GPRESSAVG: 508000 38.1975 10.7463 7.4031 6.88357 -41.3062 -2.36851 6.37846 -1.7371 -11.2389 TIMING: 508000 CPU: 1583.66, 0.0031215/step Wall: 1583.66, 0.0031215/step, 3.89494 hours remaining, 235.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 508000 4081.4925 20528.1531 14411.7575 234.7751 -203260.5992 2919.4712 0.0000 0.0000 51995.1720 -109089.7779 298.8170 -161084.9499 -108731.1599 299.4515 -308.5835 -278.2944 763864.3746 -4.8489 -4.7825 PRESSURE: 508200 -109.686 -241.183 -65.765 -241.183 -234.787 179.448 -65.7653 179.447 310.49 GPRESSURE: 508200 -158.545 -87.6531 -24.3198 -268.652 -108.472 105.251 -105.339 217.767 290.4 PRESSAVG: 508200 43.4212 32.6001 -3.12339 32.6001 -84.5289 8.62363 -3.1234 8.62362 2.46735 GPRESSAVG: 508200 43.0432 32.4205 -4.3451 33.2478 -84.8069 7.39515 -2.4763 10.1261 2.88294 TIMING: 508200 CPU: 1584.28, 0.00310638/step Wall: 1584.28, 0.00310638/step, 3.8759 hours remaining, 235.015625 MB of memory in use. ENERGY: 508200 3963.6215 20534.2672 14438.3754 249.2439 -203132.1701 2877.4618 0.0000 0.0000 52229.0822 -108840.1182 300.1613 -161069.2004 -108484.1739 299.4975 -11.3276 7.7943 764808.8199 -12.8801 -12.9603 LDB: ============= START OF LOAD BALANCING ============== 1596.76 LDB: ============== END OF LOAD BALANCING =============== 1596.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1596.76 LDB: ============= START OF LOAD BALANCING ============== 1597.07 LDB: Largest compute 7010 load 0.030778 is 15.8% of average load 0.194875 LDB: Average compute 0.004366 is 2.2% of average load 0.194875 LDB: TIME 1597.08 LOAD: AVG 0.194875 MAX 0.212898 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.555 MB LDB: TIME 1597.08 LOAD: AVG 0.194875 MAX 0.212898 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.559 MB LDB: TIME 1597.08 LOAD: AVG 0.194875 MAX 0.212898 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.559 MB LDB: ============== END OF LOAD BALANCING =============== 1597.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1597.08 PRESSURE: 508400 13.4682 -89.5169 -22.7842 -89.5164 422.263 183.255 -22.7838 183.254 -121.718 GPRESSURE: 508400 41.0092 -77.6434 -1.60737 -33.6992 398.935 137.943 -5.97471 217.616 -56.2841 PRESSAVG: 508400 4.67753 -5.86159 -3.32301 -5.86164 -15.3945 61.1043 -3.32304 61.1042 30.1746 GPRESSAVG: 508400 4.7412 -7.76089 -3.46467 -4.01237 -15.5867 62.1351 -4.92533 59.173 30.0834 TIMING: 508400 CPU: 1584.92, 0.00317842/step Wall: 1584.92, 0.00317842/step, 3.96561 hours remaining, 233.019531 MB of memory in use. ENERGY: 508400 4023.6528 20573.8358 14445.6123 251.4731 -203331.0687 2969.9639 0.0000 0.0000 52284.9010 -108781.6299 300.4820 -161066.5309 -108420.4144 299.6095 104.6710 127.8867 766006.9552 6.4859 6.4127 PRESSURE: 508600 70.0053 87.3697 156.697 87.3702 -107.192 -111.767 156.697 -111.767 -410.313 GPRESSURE: 508600 23.1271 6.00479 123.958 75.3301 -19.3651 -105.813 137.093 -75.933 -344.174 PRESSAVG: 508600 7.99247 28.2793 18.5848 28.2793 11.9518 19.0455 18.5849 19.0455 1.98496 GPRESSAVG: 508600 8.85412 30.41 19.3433 28.1858 12.4253 19.761 20.4584 19.9445 0.73766 TIMING: 508600 CPU: 1585.54, 0.00312206/step Wall: 1585.54, 0.00312206/step, 3.89512 hours remaining, 233.019531 MB of memory in use. ENERGY: 508600 3968.0980 20454.1774 14402.0449 231.6827 -203020.9731 2835.2564 0.0000 0.0000 52028.0066 -109101.7070 299.0057 -161129.7137 -108730.5228 299.5009 -149.1666 -113.4705 765071.5254 7.3097 7.3390 PRESSURE: 508800 236.546 85.1596 13.6553 85.16 -27.7485 52.422 13.6547 52.4215 30.0442 GPRESSURE: 508800 232.809 86.0884 -39.9724 181.318 58.992 76.7757 -52.3803 23.693 30.0733 PRESSAVG: 508800 -25.745 -7.72901 -0.566342 -7.72901 -1.53121 18.4046 -0.566366 18.4046 -29.0684 GPRESSAVG: 508800 -27.0589 -9.84426 -1.50402 -9.48478 -1.1692 18.1904 -1.13543 18.5054 -28.4419 TIMING: 508800 CPU: 1586.16, 0.00311009/step Wall: 1586.16, 0.00311009/step, 3.88001 hours remaining, 233.019531 MB of memory in use. ENERGY: 508800 3945.2802 20412.4654 14409.3702 254.6294 -203360.3946 3130.6904 0.0000 0.0000 52075.5526 -109132.4064 299.2789 -161207.9590 -108763.8921 299.0213 79.6138 107.2913 764685.6450 -18.7815 -18.8900 PRESSURE: 509000 155.721 153.077 -49.5823 153.078 96.5313 46.8292 -49.5831 46.8284 22.5058 GPRESSURE: 509000 254.102 97.016 -29.4923 135.363 125.32 51.3719 -22.1297 42.5883 -38.5033 PRESSAVG: 509000 62.646 28.5493 -78.2932 28.5494 -24.708 18.1638 -78.2931 18.1638 -2.75499 GPRESSAVG: 509000 62.9277 29.3971 -76.6091 30.5401 -24.9982 16.5389 -79.1555 18.9183 -2.62218 TIMING: 509000 CPU: 1586.79, 0.00310842/step Wall: 1586.79, 0.00310842/step, 3.87776 hours remaining, 233.019531 MB of memory in use. ENERGY: 509000 3901.5627 20537.5575 14376.0636 229.4868 -203383.0048 3242.1551 0.0000 0.0000 51925.8442 -109170.3349 298.4185 -161096.1792 -108809.1592 299.0400 91.5861 113.6396 764879.4574 11.7277 11.7691 PRESSURE: 509200 -238.553 160.118 -50.2073 160.119 397.693 169.334 -50.2074 169.334 -33.315 GPRESSURE: 509200 -214.698 117.488 -28.306 138.291 421.578 80.7544 -49.5929 216.551 10.0218 PRESSAVG: 509200 19.2721 -0.208156 -7.25497 -0.208134 -35.4675 13.3733 -7.2549 13.3732 17.2288 GPRESSAVG: 509200 19.2809 0.341513 -7.44252 -1.81601 -35.2586 16.0059 -7.43936 12.3472 16.8323 TIMING: 509200 CPU: 1587.41, 0.00310996/step Wall: 1587.41, 0.00310996/step, 3.87951 hours remaining, 233.019531 MB of memory in use. ENERGY: 509200 3983.0728 20461.6098 14280.6165 249.6034 -203732.7025 3218.3399 0.0000 0.0000 52244.6981 -109294.7619 300.2510 -161539.4600 -108935.9633 298.6166 41.9417 72.3008 764443.2201 0.3444 0.2849 PRESSURE: 509400 48.8336 32.3465 325.327 32.3468 37.8204 94.0714 325.328 94.0713 241.77 GPRESSURE: 509400 121.355 35.5222 305.996 84.8151 106.618 76.4291 298.008 162.253 177.085 PRESSAVG: 509400 43.5168 5.67503 -8.53518 5.67501 4.32016 -8.61684 -8.53522 -8.61687 4.12496 GPRESSAVG: 509400 43.6565 5.9197 -8.47513 6.97672 3.33399 -10.0361 -8.46665 -9.21239 4.50501 TIMING: 509400 CPU: 1588.03, 0.00311448/step Wall: 1588.03, 0.00311448/step, 3.88496 hours remaining, 233.019531 MB of memory in use. ENERGY: 509400 4033.3696 20453.1607 14381.6362 248.1149 -203469.3541 2879.3062 0.0000 0.0000 52182.7026 -109291.0640 299.8947 -161473.7666 -108925.0285 299.0130 109.4746 135.0194 763016.0933 17.3206 17.1652 PRESSURE: 509600 -113.795 -76.2801 95.9492 -76.2799 -54.5454 -188.593 95.9489 -188.593 -20.828 GPRESSURE: 509600 -88.4843 44.7501 66.997 -118.92 -41.0994 -196.502 42.4636 -173.894 20.6207 PRESSAVG: 509600 1.08798 -0.942134 9.97826 -0.94213 16.4742 26.2538 9.97827 26.2538 -16.6637 GPRESSAVG: 509600 0.53242 -2.15016 8.72628 0.683089 16.7171 26.7953 9.69462 27.3198 -16.5765 TIMING: 509600 CPU: 1588.66, 0.00313667/step Wall: 1588.66, 0.00313667/step, 3.91247 hours remaining, 233.019531 MB of memory in use. ENERGY: 509600 3983.7260 20500.7563 14257.7424 253.3730 -203010.3485 2899.2719 0.0000 0.0000 52230.7259 -108884.7530 300.1707 -161115.4789 -108509.6900 298.9524 -63.0561 -36.3210 764373.4495 0.2995 0.2243 PRESSURE: 509800 -184.51 11.4582 -64.1007 11.4587 -112.344 158.123 -64.0998 158.123 -446.635 GPRESSURE: 509800 -179.628 49.2629 -69.7992 -67.1377 -61.3116 202.934 -33.2064 15.1576 -413.84 PRESSAVG: 509800 20.441 -21.7593 -34.5064 -21.7593 -28.9035 52.6491 -34.5063 52.6491 -12.5657 GPRESSAVG: 509800 20.5929 -18.6583 -33.6914 -24.1165 -28.9844 51.5922 -34.0415 53.885 -11.9688 TIMING: 509800 CPU: 1589.28, 0.00312421/step Wall: 1589.28, 0.00312421/step, 3.89675 hours remaining, 233.019531 MB of memory in use. ENERGY: 509800 4074.0487 20628.3441 14373.3439 248.3899 -202908.2159 2630.7269 0.0000 0.0000 52149.8428 -108803.5196 299.7059 -160953.3624 -108446.2192 299.6260 -247.8296 -218.2597 764594.1788 -7.0094 -6.7868 PRESSURE: 510000 310.455 -65.7625 243.99 -65.7621 -264.64 163.5 243.99 163.5 345.251 GPRESSURE: 510000 250.169 -76.9867 149.487 -55.9503 -118.598 167.353 223.86 85.1778 329.945 PRESSAVG: 510000 26.5988 -21.8556 -27.1439 -21.8555 -27.6314 50.7988 -27.1438 50.7989 27.9999 GPRESSAVG: 510000 26.0492 -24.167 -27.7879 -21.8759 -26.3793 52.5031 -25.1404 47.9561 27.6694 TIMING: 510000 CPU: 1589.91, 0.00312883/step Wall: 1589.91, 0.00312883/step, 3.90235 hours remaining, 233.019531 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: 510000 3992.0596 20663.7183 14362.7317 237.1337 -203436.2993 3114.6843 0.0000 0.0000 52184.4710 -108881.5008 299.9049 -161065.9718 -108517.3020 299.9329 130.3556 153.8390 763273.7513 8.9891 9.1131 PRESSURE: 510200 -287.946 43.9825 -92.5772 43.9828 -94.8249 47.3895 -92.5769 47.389 -88.8173 GPRESSURE: 510200 -274.228 45.7588 34.1146 -88.3295 -82.3761 73.4229 -233.602 185.884 -37.9179 PRESSAVG: 510200 19.9797 38.6666 -54.1937 38.6666 -43.1471 102.21 -54.1936 102.21 -17.6249 GPRESSAVG: 510200 20.5344 38.8942 -54.5182 39.7462 -44.9877 101.79 -55.4019 103.203 -16.7454 TIMING: 510200 CPU: 1590.53, 0.00311177/step Wall: 1590.53, 0.00311177/step, 3.8809 hours remaining, 233.019531 MB of memory in use. ENERGY: 510200 3985.1814 20707.0294 14408.5663 236.2366 -203059.7777 2842.4281 0.0000 0.0000 51865.7319 -109014.6040 298.0731 -160880.3359 -108652.0346 299.3628 -157.1961 -131.5073 765053.5303 -13.5974 -13.7329 PRESSURE: 510400 -83.4693 303.734 -100.703 303.734 188.901 -110.445 -100.703 -110.444 319.106 GPRESSURE: 510400 -20.3304 372.513 -195.991 116.614 244.046 -9.5504 -165.146 -115.426 281.396 PRESSAVG: 510400 73.3711 35.8087 -14.4222 35.8087 -26.4497 19.8536 -14.4222 19.8535 7.91242 GPRESSAVG: 510400 74.0483 35.8944 -15.7622 36.6149 -25.3694 19.8723 -12.8256 21.2947 6.94151 TIMING: 510400 CPU: 1591.16, 0.00312588/step Wall: 1591.16, 0.00312588/step, 3.89831 hours remaining, 233.019531 MB of memory in use. ENERGY: 510400 3910.8366 20653.1857 14351.2115 240.0894 -203483.8152 2895.7248 0.0000 0.0000 52180.9036 -109251.8636 299.8844 -161432.7672 -108885.7655 299.0682 141.5126 168.3706 763170.3007 18.2779 18.5401 PRESSURE: 510600 147.788 37.2003 66.1212 37.1999 161.652 -94.6745 66.1213 -94.6743 401.739 GPRESSURE: 510600 241.393 102.58 147.687 30.0542 175.192 -54.0591 28.9339 -95.7032 392.65 PRESSAVG: 510600 23.294 9.47181 2.22941 9.47173 -51.4463 34.7756 2.22942 34.7757 3.40791 GPRESSAVG: 510600 23.7918 11.5445 4.7248 7.65726 -52.086 33.5581 -0.198673 33.2369 3.56056 TIMING: 510600 CPU: 1591.78, 0.0031096/step Wall: 1591.78, 0.0031096/step, 3.87785 hours remaining, 233.019531 MB of memory in use. ENERGY: 510600 3996.4128 20561.0678 14343.0070 257.0136 -203718.5981 3244.8990 0.0000 0.0000 52100.6678 -109215.5302 299.4233 -161316.1980 -108857.2461 299.1385 237.0598 269.7450 763906.9231 -8.2481 -8.2445 PRESSURE: 510800 86.186 -16.2392 91.935 -16.238 -182.467 -116.142 91.9358 -116.143 -298.92 GPRESSURE: 510800 47.9026 57.8752 127.472 26.3439 -51.789 -87.3378 138.87 -77.1959 -273.298 PRESSAVG: 510800 30.1212 -13.8597 49.4712 -13.8597 -33.4784 -39.4746 49.4712 -39.4746 -21.3489 GPRESSAVG: 510800 29.1517 -15.3947 47.9551 -12.6862 -33.5635 -38.4697 50.2561 -38.7033 -20.1426 TIMING: 510800 CPU: 1592.4, 0.0031206/step Wall: 1592.4, 0.0031206/step, 3.89138 hours remaining, 233.019531 MB of memory in use. ENERGY: 510800 4098.8578 20527.8626 14387.8506 252.3422 -203412.5738 2880.3349 0.0000 0.0000 52086.9254 -109178.4002 299.3443 -161265.3257 -108820.8348 299.0352 -131.7335 -92.3948 763766.7587 -8.2354 -8.1848 PRESSURE: 511000 69.0894 83.0889 79.2207 83.0885 -266.114 271.86 79.22 271.861 229.579 GPRESSURE: 511000 127.088 47.0089 3.72706 3.88806 -310.421 250.42 106.556 111.69 293.163 PRESSAVG: 511000 26.167 7.57308 -31.7949 7.57303 -72.0975 -11.4923 -31.7949 -11.4922 13.7301 GPRESSAVG: 511000 26.677 7.15154 -31.6915 6.90049 -71.5573 -11.1134 -30.9068 -11.6325 12.8641 TIMING: 511000 CPU: 1593.02, 0.00311199/step Wall: 1593.02, 0.00311199/step, 3.88048 hours remaining, 233.019531 MB of memory in use. ENERGY: 511000 3979.7324 20611.7652 14396.2384 224.1800 -203430.9984 2713.4853 0.0000 0.0000 52147.3423 -109358.2547 299.6915 -161505.5970 -108984.7873 299.2313 10.8515 36.6104 762603.4237 -10.7335 -10.6721 PRESSURE: 511200 80.9844 -83.0112 -432.538 -83.0107 -121.154 59.6616 -432.539 59.6605 3.25258 GPRESSURE: 511200 120.702 -32.7648 -405.003 -114.783 -2.06994 7.74355 -458.749 9.74212 -85.8869 PRESSAVG: 511200 25.0808 -9.63316 5.68114 -9.63322 -5.45072 48.2471 5.68117 48.2471 -3.62667 GPRESSAVG: 511200 24.6216 -10.5402 6.29956 -8.68682 -4.67824 47.0858 4.37293 48.7417 -4.05943 TIMING: 511200 CPU: 1593.65, 0.00311427/step Wall: 1593.65, 0.00311427/step, 3.88315 hours remaining, 233.019531 MB of memory in use. ENERGY: 511200 4037.1146 20693.7425 14440.1753 239.0399 -203494.3661 2976.5135 0.0000 0.0000 51890.3636 -109217.4167 298.2146 -161107.7803 -108851.9129 298.7220 -12.3057 10.9150 762493.0870 5.3345 5.2947 PRESSURE: 511400 141.233 -113.153 225.352 -113.153 -191.32 122.26 225.351 122.26 -83.833 GPRESSURE: 511400 138.812 -181.045 205.083 -153.434 -146.495 107.311 200.81 139.999 -63.2934 PRESSAVG: 511400 13.6271 -42.177 -53.231 -42.177 -14.9565 72.3155 -53.2311 72.3156 8.56983 GPRESSAVG: 511400 15.9822 -41.4384 -53.1213 -42.8146 -16.1337 73.4842 -52.9192 71.321 7.10868 TIMING: 511400 CPU: 1594.27, 0.00310576/step Wall: 1594.27, 0.00310576/step, 3.87237 hours remaining, 233.019531 MB of memory in use. ENERGY: 511400 3939.7075 20602.5016 14369.4350 249.9133 -203235.6548 2738.6609 0.0000 0.0000 51913.5991 -109421.8373 298.3482 -161335.4365 -109072.9458 298.7288 -44.6400 -23.6590 763571.2660 2.4135 2.3190 PRESSURE: 511600 289.651 -11.6504 109.016 -11.6503 -211.979 10.917 109.015 10.9165 161.224 GPRESSURE: 511600 219.989 -38.9055 18.4392 -16.1006 -107.574 21.5214 208.278 -43.6916 194.962 PRESSAVG: 511600 6.00869 16.6172 11.8897 16.6172 -12.263 7.58507 11.8897 7.58504 -3.12284 GPRESSAVG: 511600 3.73593 18.747 10.384 15.0701 -11.3218 6.40517 12.4865 6.51346 -2.05249 TIMING: 511600 CPU: 1594.89, 0.00310575/step Wall: 1594.89, 0.00310575/step, 3.87218 hours remaining, 233.019531 MB of memory in use. ENERGY: 511600 3925.9603 20445.6076 14463.2161 261.1430 -203410.0659 2843.1353 0.0000 0.0000 51945.0556 -109525.9480 298.5289 -161471.0036 -109160.9592 298.3074 79.6321 102.4591 761744.9392 -3.1257 -3.2128 PRESSURE: 511800 -116.315 34.2628 128.595 34.2628 227.373 -211.414 128.594 -211.414 -78.5863 GPRESSURE: 511800 -93.5832 42.0309 231.337 22.3198 253.488 -231.512 81.0429 -144.019 -60.8858 PRESSAVG: 511800 17.053 -32.058 2.46629 -32.058 -11.1367 30.4709 2.4663 30.4709 -2.01105 GPRESSAVG: 511800 17.2216 -33.1695 2.99413 -32.2015 -11.4019 29.5206 1.81962 33.2161 -1.49825 TIMING: 511800 CPU: 1595.51, 0.00310265/step Wall: 1595.51, 0.00310265/step, 3.86815 hours remaining, 233.019531 MB of memory in use. ENERGY: 511800 4010.7379 20348.5423 14384.8920 242.4730 -203434.4334 2991.5859 0.0000 0.0000 51934.1931 -109522.0094 298.4665 -161456.2025 -109151.4786 298.2090 10.8241 33.0062 762059.9791 1.3017 1.4405 PRESSURE: 512000 247.116 104.191 -72.3869 104.191 207.128 116.534 -72.3864 116.534 -278.148 GPRESSURE: 512000 271.673 45.9937 -110.478 179.853 275.529 136.079 44.35 184.21 -285.667 PRESSAVG: 512000 -12.4382 -7.49638 27.1822 -7.49638 24.9444 63.6194 27.1823 63.6194 -3.86499 GPRESSAVG: 512000 -12.1861 -8.23478 28.6954 -5.33829 24.6712 63.5621 26.5299 63.0501 -3.81223 TIMING: 512000 CPU: 1596.13, 0.00312067/step Wall: 1596.13, 0.00312067/step, 3.89044 hours remaining, 233.019531 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: 512000 3939.8549 20379.7825 14440.2065 249.1466 -203320.9358 2989.0425 0.0000 0.0000 51831.4992 -109491.4036 297.8763 -161322.9028 -109128.0786 298.5292 58.6987 87.1787 762920.5856 2.8804 2.8910 PRESSURE: 512200 69.3095 -7.46241 -62.7115 -7.46244 171.754 119.864 -62.7109 119.865 76.3693 GPRESSURE: 512200 105.537 -49.7122 3.34413 37.4639 204.347 187.114 -116.328 67.302 76.8643 PRESSAVG: 512200 14.5945 -20.0617 -4.31606 -20.0617 -15.9971 46.256 -4.31603 46.2559 -15.7879 GPRESSAVG: 512200 14.2862 -19.1758 -5.66857 -23.1945 -15.5485 48.6753 -2.79468 44.2249 -15.6626 TIMING: 512200 CPU: 1596.76, 0.00310518/step Wall: 1596.76, 0.00310518/step, 3.87095 hours remaining, 233.019531 MB of memory in use. ENERGY: 512200 3997.7354 20309.7877 14387.9988 239.3207 -203247.6828 2962.5378 0.0000 0.0000 51865.1685 -109485.1339 298.0698 -161350.3024 -109125.6959 298.1661 105.8110 128.9163 762517.5723 -5.7302 -5.6417 LDB: ============= START OF LOAD BALANCING ============== 1609.23 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1609.23 LDB: =============== DONE WITH MIGRATION ================ 1609.23 LDB: ============= START OF LOAD BALANCING ============== 1609.55 LDB: Largest compute 7052 load 0.031060 is 15.9% of average load 0.194963 LDB: Average compute 0.004372 is 2.2% of average load 0.194963 LDB: TIME 1609.55 LOAD: AVG 0.194963 MAX 0.216059 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.555 MB LDB: TIME 1609.55 LOAD: AVG 0.194963 MAX 0.216059 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.758 MB LDB: TIME 1609.55 LOAD: AVG 0.194963 MAX 0.216059 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.758 MB LDB: ============== END OF LOAD BALANCING =============== 1609.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1609.56 PRESSURE: 512400 -99.6506 274.842 -67.2391 274.842 -1.42441 -25.6942 -67.2397 -25.6937 -267.986 GPRESSURE: 512400 -63.1407 286.929 -33.2207 171.723 -65.7115 59.1068 -91.9323 -144.389 -177.569 PRESSAVG: 512400 6.81513 -4.53459 -57.389 -4.5347 -17.4352 21.905 -57.389 21.905 0.363243 GPRESSAVG: 512400 7.44259 -5.50169 -56.0431 -3.80129 -17.276 20.3028 -58.6884 23.3815 0.126435 TIMING: 512400 CPU: 1597.39, 0.00317888/step Wall: 1597.39, 0.00317888/step, 3.96265 hours remaining, 235.074219 MB of memory in use. ENERGY: 512400 4072.5091 20592.8150 14404.4306 258.9395 -203438.5912 2872.0482 0.0000 0.0000 51846.0781 -109391.7706 297.9601 -161237.8488 -109026.0695 298.0599 -123.0204 -102.1403 763889.8162 -3.4190 -3.2356 PRESSURE: 512600 -60.5633 23.3967 -138.828 23.397 247.28 -138.159 -138.828 -138.158 -124.721 GPRESSURE: 512600 -13.8944 37.4229 -175.681 -35.8046 212.885 -64.0292 -117.374 -180.771 -57.327 PRESSAVG: 512600 -11.0979 -20.7747 -59.033 -20.7747 55.352 8.85037 -59.033 8.85036 -3.65997 GPRESSAVG: 512600 -11.6634 -19.2307 -58.4649 -21.1814 55.6751 9.93754 -58.456 6.01408 -3.67475 TIMING: 512600 CPU: 1598.01, 0.00310677/step Wall: 1598.01, 0.00310677/step, 3.87259 hours remaining, 235.074219 MB of memory in use. ENERGY: 512600 3944.3167 20595.4474 14373.9364 244.1476 -203392.5372 2958.1020 0.0000 0.0000 52032.7704 -109243.8167 299.0330 -161276.5871 -108880.1040 298.8803 20.6651 47.2213 762666.2679 13.5314 13.4456 PRESSURE: 512800 -463.441 -9.43871 -62.2285 -9.43876 324.618 -89.5013 -62.228 -89.5012 -331.226 GPRESSURE: 512800 -365.21 -91.7213 -63.4718 -86.5007 263.929 -52.4244 -61.1072 -71.9726 -284.908 PRESSAVG: 512800 21.0512 27.185 8.15762 27.185 22.0903 43.0699 8.15765 43.0699 -15.4164 GPRESSAVG: 512800 19.9296 24.5781 7.93052 27.679 22.6414 44.1565 7.73487 46.16 -14.8605 TIMING: 512800 CPU: 1598.64, 0.0031302/step Wall: 1598.64, 0.0031302/step, 3.90162 hours remaining, 235.074219 MB of memory in use. ENERGY: 512800 4005.7582 20488.4556 14393.3566 247.7014 -203155.2022 2903.5279 0.0000 0.0000 52242.6245 -108873.7782 300.2391 -161116.4026 -108506.3070 299.2549 -156.6832 -128.7298 763596.0879 9.2417 9.2368 PRESSURE: 513000 -17.43 181.518 25.2808 181.517 -147.51 87.8201 25.2813 87.8192 167 GPRESSURE: 513000 -79.1214 172.031 74.268 151.717 -15.6124 175.458 -27.7662 43.0885 161.04 PRESSAVG: 513000 -46.4553 40.9871 21.0138 40.9872 35.818 46.4044 21.0138 46.4044 34.454 GPRESSAVG: 513000 -44.7824 42.8502 20.0918 40.9558 34.4205 45.3103 20.2569 45.6645 33.8609 TIMING: 513000 CPU: 1599.26, 0.00311144/step Wall: 1599.26, 0.00311144/step, 3.87806 hours remaining, 235.074219 MB of memory in use. ENERGY: 513000 4034.0369 20423.6764 14411.3873 247.5431 -203117.0520 2799.1129 0.0000 0.0000 52235.1406 -108966.1547 300.1961 -161201.2953 -108606.9378 299.8441 0.6867 22.1020 762748.0745 7.9389 7.8330 PRESSURE: 513200 -186.202 -139.415 -153.728 -139.417 13.7016 -17.3751 -153.728 -17.3749 52.7119 GPRESSURE: 513200 -178.562 -170.028 -157.169 -177.359 44.1786 -120.568 -81.0316 -49.873 79.3444 PRESSAVG: 513200 7.53608 -13.2014 -35.5781 -13.2014 0.112337 2.13277 -35.5781 2.13267 15.2679 GPRESSAVG: 513200 6.94432 -11.8711 -37.722 -13.4966 0.418001 2.25607 -32.8721 1.67587 14.8081 TIMING: 513200 CPU: 1599.88, 0.00311347/step Wall: 1599.88, 0.00311347/step, 3.88042 hours remaining, 235.074219 MB of memory in use. ENERGY: 513200 3985.1317 20424.9862 14425.4137 246.3639 -202909.7954 2750.0325 0.0000 0.0000 52229.1219 -108848.7455 300.1615 -161077.8674 -108476.6693 299.7002 -39.9296 -18.3463 766196.7233 7.6388 7.3901 PRESSURE: 513400 152.344 -16.703 -156.905 -16.703 102.356 -72.2868 -156.905 -72.2864 -146.057 GPRESSURE: 513400 92.4263 -57.1834 -150.299 -5.58235 145.767 -118.785 -112.045 -121.586 -50.3468 PRESSAVG: 513400 -8.60874 -87.5425 -99.4695 -87.5425 -29.7271 -8.50529 -99.4695 -8.50529 3.63369 GPRESSAVG: 513400 -9.84534 -88.6018 -97.0631 -86.1542 -27.2689 -10.4695 -100.713 -7.18 2.30762 TIMING: 513400 CPU: 1600.51, 0.00311555/step Wall: 1600.51, 0.00311555/step, 3.88285 hours remaining, 235.074219 MB of memory in use. ENERGY: 513400 4030.9697 20389.4428 14376.7811 236.1519 -203030.7001 2950.9394 0.0000 0.0000 52135.4205 -108910.9947 299.6230 -161046.4152 -108546.6720 299.8364 36.2143 62.6154 764942.6547 -11.5674 -11.6022 PRESSURE: 513600 344.514 110.443 49.3002 110.443 566.353 374.903 49.3003 374.903 -10.8463 GPRESSURE: 513600 348.066 129.591 79.6166 97.0469 641.925 325.14 89.2712 249.435 -1.59479 PRESSAVG: 513600 -36.3281 -2.88805 10.456 -2.8881 44.9769 33.9914 10.456 33.9914 -12.7559 GPRESSAVG: 513600 -35.3313 -3.10256 10.2204 -0.337089 42.9808 33.9535 10.0638 32.117 -11.4947 TIMING: 513600 CPU: 1601.13, 0.00311318/step Wall: 1601.13, 0.00311318/step, 3.87972 hours remaining, 235.074219 MB of memory in use. ENERGY: 513600 3912.9045 20491.9947 14462.7703 239.4704 -203268.0280 2866.0453 0.0000 0.0000 52156.5429 -109138.2998 299.7444 -161294.8428 -108770.2748 299.0306 300.0069 329.4652 763186.2815 -1.3690 -1.2817 PRESSURE: 513800 439.38 -2.43059 -101.48 -2.43138 -457.604 -33.3824 -101.48 -33.3814 -45.5529 GPRESSURE: 513800 523.443 37.2895 -37.1322 -74.8662 -452.167 64.528 -99.9137 -9.55659 -44.0459 PRESSAVG: 513800 21.2832 -3.47303 0.677798 -3.47299 -14.7472 -16.665 0.677848 -16.6649 -37.2775 GPRESSAVG: 513800 21.3755 -1.65867 -0.962321 -6.34467 -15.2523 -15.8634 2.5632 -15.2807 -36.6926 TIMING: 513800 CPU: 1601.76, 0.00312994/step Wall: 1601.76, 0.00312994/step, 3.90043 hours remaining, 235.074219 MB of memory in use. ENERGY: 513800 3866.9024 20426.0334 14422.0602 241.7901 -203234.2520 2909.4021 0.0000 0.0000 51953.0038 -109415.0601 298.5746 -161368.0639 -109055.4929 298.6278 -21.2591 9.0768 764364.4540 -10.2472 -10.1898 PRESSURE: 514000 -77.5941 -160.895 50.7891 -160.895 131.644 38.9829 50.789 38.9833 134.946 GPRESSURE: 514000 -66.2821 -111.83 101.743 -101.978 144.376 70.1668 21.4906 13.539 186.443 PRESSAVG: 514000 37.7189 11.2768 69.3081 11.2768 -33.0124 -34.2417 69.3082 -34.2416 5.04199 GPRESSAVG: 514000 38.0597 9.2802 71.4264 11.1384 -32.9711 -32.8659 65.7125 -34.2371 4.44592 TIMING: 514000 CPU: 1602.38, 0.00312723/step Wall: 1602.38, 0.00312723/step, 3.89688 hours remaining, 235.074219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 514000 3972.2766 20268.2971 14358.9219 236.1439 -203347.3934 2948.1023 0.0000 0.0000 52065.2643 -109498.3873 299.2198 -161563.6516 -109136.9536 298.2924 62.9985 88.1791 764236.1504 3.2495 3.1782 PRESSURE: 514200 263.606 -155.906 82.3548 -155.907 38.1215 -100.932 82.3547 -100.932 0.917533 GPRESSURE: 514200 335.725 -108.571 -40.5794 -125.744 131.218 -107.561 52.3987 -58.1352 -67.5041 PRESSAVG: 514200 28.5285 -53.2358 27.2675 -53.2358 -17.1027 28.0239 27.2676 28.0239 -6.54404 GPRESSAVG: 514200 27.6872 -52.4888 25.3917 -53.7544 -16.8798 28.3576 30.1275 29.4043 -6.34799 TIMING: 514200 CPU: 1603, 0.00312184/step Wall: 1603, 0.00312184/step, 3.88999 hours remaining, 235.074219 MB of memory in use. ENERGY: 514200 4043.5088 20490.1444 14424.7465 239.8912 -203478.1876 2956.1597 0.0000 0.0000 51900.3992 -109423.3378 298.2723 -161323.7370 -109074.0104 297.8645 100.8817 133.1464 764060.8746 1.6272 1.4864 PRESSURE: 514400 -1.12672 271.918 157.785 271.918 -41.9628 -57.2008 157.785 -57.2011 -300.155 GPRESSURE: 514400 12.4658 219.798 56.7735 308.658 -11.7896 -146.292 197.586 10.1638 -262.937 PRESSAVG: 514400 5.47743 -32.2884 -20.0404 -32.2884 6.84218 -36.1097 -20.0404 -36.1098 -7.78958 GPRESSAVG: 514400 5.42352 -31.4915 -19.2938 -33.3432 7.54279 -35.8827 -21.9425 -37.8711 -8.93597 TIMING: 514400 CPU: 1603.63, 0.00311847/step Wall: 1603.63, 0.00311847/step, 3.88562 hours remaining, 235.074219 MB of memory in use. ENERGY: 514400 3938.5422 20239.3716 14405.9005 253.6697 -203053.5762 2931.8073 0.0000 0.0000 51739.7305 -109544.5543 297.3489 -161284.2848 -109181.4024 298.3089 -114.4148 -87.4203 764720.9144 1.5100 1.3434 PRESSURE: 514600 -18.1054 -9.96825 -27.9678 -9.96812 -177.103 -127.118 -27.9673 -127.118 -168.365 GPRESSURE: 514600 -61.0089 -122.13 -10.4819 1.01247 -106.766 -204.972 -118.701 -61.588 -113.395 PRESSAVG: 514600 7.31279 7.45413 -4.86951 7.45411 -33.4581 -4.70394 -4.86945 -4.704 -2.94224 GPRESSAVG: 514600 8.39231 6.23976 -5.3588 10.6506 -34.2938 -4.85174 -4.32771 -5.94212 -2.78342 TIMING: 514600 CPU: 1604.25, 0.00311698/step Wall: 1604.25, 0.00311697/step, 3.88358 hours remaining, 235.074219 MB of memory in use. ENERGY: 514600 4024.7738 20370.6716 14375.6516 238.0773 -203060.5227 2730.5709 0.0000 0.0000 51894.0362 -109426.7413 298.2357 -161320.7776 -109073.1090 297.7558 -121.1913 -93.7232 763577.6531 -9.6959 -9.5616 PRESSURE: 514800 -19.0467 -66.9846 -19.5165 -66.9843 219.952 12.6133 -19.5174 12.6129 441.649 GPRESSURE: 514800 27.0139 -16.2234 -48.9465 -51.5967 199.948 -34.7128 -13.2818 30.8605 498.142 PRESSAVG: 514800 -34.2614 -41.9332 -22.4096 -41.9332 39.7011 13.4738 -22.4097 13.4738 -3.59138 GPRESSAVG: 514800 -35.3334 -41.1951 -23.2169 -43.1196 41.3968 12.971 -22.4982 14.451 -4.29385 TIMING: 514800 CPU: 1604.87, 0.00310485/step Wall: 1604.87, 0.00310485/step, 3.8683 hours remaining, 235.074219 MB of memory in use. ENERGY: 514800 3871.6971 20417.1960 14342.8717 259.2425 -203012.2151 2729.0228 0.0000 0.0000 51867.1085 -109525.0765 298.0810 -161392.1849 -109169.3298 298.4580 214.1849 241.7013 763207.6567 0.6161 0.5898 PRESSURE: 515000 92.609 63.0667 -110.497 63.0667 211.06 23.0463 -110.497 23.0455 -76.0734 GPRESSURE: 515000 84.9066 -81.6923 -108.504 140.457 251.986 -14.3886 -152.303 8.6558 -19.5643 PRESSAVG: 515000 -49.6131 -13.8191 13.7884 -13.8191 89.2359 17.3296 13.7885 17.3296 -2.02726 GPRESSAVG: 515000 -49.3401 -12.2732 15.7828 -17.5399 88.0655 17.083 15.2696 18.6278 -1.10665 TIMING: 515000 CPU: 1605.5, 0.00311106/step Wall: 1605.5, 0.00311106/step, 3.87587 hours remaining, 235.074219 MB of memory in use. ENERGY: 515000 3958.7149 20421.9400 14362.6806 233.8485 -203327.7817 2971.3427 0.0000 0.0000 51864.4881 -109514.7669 298.0659 -161379.2550 -109150.7323 298.3369 75.8653 105.7760 762845.4898 12.5318 12.5396 PRESSURE: 515200 271.182 -104.034 0.412012 -104.033 -127.678 -56.0636 0.411797 -56.064 339.589 GPRESSURE: 515200 218.327 -36.6868 13.9668 -85.5914 -30.8148 18.0607 -52.2045 -85.5338 370.074 PRESSAVG: 515200 -9.78852 -4.15427 22.861 -4.1543 18.6926 -38.4073 22.8611 -38.4074 7.80314 GPRESSAVG: 515200 -9.10505 -5.51922 22.5273 -1.58535 16.9368 -37.0022 22.5157 -37.9125 8.7529 TIMING: 515200 CPU: 1606.12, 0.00311854/step Wall: 1606.12, 0.00311854/step, 3.88501 hours remaining, 235.074219 MB of memory in use. ENERGY: 515200 3952.0197 20609.5275 14328.4240 250.0148 -203457.5684 3074.0217 0.0000 0.0000 51905.7312 -109337.8295 298.3030 -161243.5608 -108971.6591 298.0722 161.0310 185.8620 762699.4261 5.5691 5.5282 PRESSURE: 515400 -322.464 -36.9421 -149.998 -36.942 128.169 95.7019 -149.997 95.7023 -470.158 GPRESSURE: 515400 -217.291 -38.8923 -190.888 34.7869 57.9531 52.2964 -102.175 111.293 -426.795 PRESSAVG: 515400 -72.43 -61.1418 5.63398 -61.1418 45.8855 20.2884 5.63393 20.2884 -5.3242 GPRESSAVG: 515400 -72.9714 -60.3195 5.03442 -60.1076 47.0231 19.1583 6.47591 19.1199 -5.71882 TIMING: 515400 CPU: 1606.74, 0.00312792/step Wall: 1606.74, 0.00312792/step, 3.89652 hours remaining, 235.074219 MB of memory in use. ENERGY: 515400 4036.2036 20450.4725 14452.1036 241.6312 -203186.1837 2691.4268 0.0000 0.0000 52007.5381 -109306.8078 298.8880 -161314.3459 -108942.7272 298.6356 -221.4846 -195.3775 764072.0068 -10.6229 -10.5557 PRESSURE: 515600 106.724 -284.92 91.526 -284.921 -353.206 -52.8015 91.5262 -52.8007 -288.034 GPRESSURE: 515600 86.5539 -206.221 175.076 -307.909 -220.63 22.8817 -2.59309 -35.4197 -334.692 PRESSAVG: 515600 -0.826329 42.1693 -0.68661 42.1693 -38.4069 23.5892 -0.686602 23.5892 0.457025 GPRESSAVG: 515600 -2.10246 42.8481 0.502802 40.4851 -37.4199 25.5943 -2.66293 22.581 0.064788 TIMING: 515600 CPU: 1607.37, 0.00311032/step Wall: 1607.37, 0.00311032/step, 3.87442 hours remaining, 235.074219 MB of memory in use. ENERGY: 515600 3966.0397 20489.6459 14392.3037 270.4346 -203086.3349 2719.3066 0.0000 0.0000 51687.3137 -109561.2907 297.0477 -161248.6044 -109206.3795 298.8291 -178.1721 -156.2561 763518.4364 -12.9254 -13.1525 PRESSURE: 515800 68.0689 -141.372 -113.348 -141.372 -206.056 -21.4079 -113.349 -21.4086 0.677735 GPRESSURE: 515800 141.46 -156.718 -64.8253 -42.6687 -170.005 -100.352 -9.70994 1.30946 -9.24039 PRESSAVG: 515800 -3.88845 -19.7987 16.1428 -19.7986 21.7293 -29.677 16.1428 -29.6771 1.28356 GPRESSAVG: 515800 -3.39163 -21.632 14.5383 -19.8567 20.6907 -31.2775 17.3802 -27.8378 2.25974 TIMING: 515800 CPU: 1607.99, 0.00311005/step Wall: 1607.99, 0.00311005/step, 3.87391 hours remaining, 235.074219 MB of memory in use. ENERGY: 515800 4027.8496 20382.2446 14413.7470 241.3727 -203378.5314 2725.6940 0.0000 0.0000 51808.1722 -109779.4513 297.7423 -161587.6235 -109432.0010 297.8749 -45.7699 -12.5952 763280.4706 6.3748 6.5196 PRESSURE: 516000 173.822 -277.69 169.897 -277.689 544.37 -105.176 169.898 -105.176 54.4511 GPRESSURE: 516000 137.488 -231.121 161.266 -279.224 611.042 -45.0145 116.564 -92.8435 99.4666 PRESSAVG: 516000 -35.4314 -67.9256 14.7926 -67.9256 72.7417 -11.8478 14.7925 -11.8478 -12.5154 GPRESSAVG: 516000 -35.7154 -68.4601 14.6148 -65.3886 72.5572 -11.6561 15.2078 -14.313 -12.3867 TIMING: 516000 CPU: 1608.61, 0.00312345/step Wall: 1608.61, 0.00312345/step, 3.89043 hours remaining, 235.074219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 516000 3873.1781 20509.7943 14374.1340 236.2637 -203816.1615 3136.8113 0.0000 0.0000 51758.0825 -109927.8977 297.4544 -161685.9801 -109558.1469 297.2794 257.5478 282.6656 763069.8476 8.2649 8.1517 PRESSURE: 516200 -408.559 130.396 34.529 130.396 -256.178 -28.5159 34.5295 -28.5159 160.167 GPRESSURE: 516200 -301.32 194.193 -49.9513 74.5093 -294.736 -83.2736 -46.2033 9.7892 172.803 PRESSAVG: 516200 48.886 -33.2729 13.3083 -33.2729 -52.8626 18.1881 13.3083 18.188 -6.66248 GPRESSAVG: 516200 49.9511 -34.0823 12.9447 -33.2056 -52.5175 17.8516 13.4855 19.7204 -7.72575 TIMING: 516200 CPU: 1609.24, 0.00313317/step Wall: 1609.24, 0.00313318/step, 3.90237 hours remaining, 235.074219 MB of memory in use. ENERGY: 516200 3962.1188 20390.2900 14358.0112 247.8692 -203376.5754 2844.2692 0.0000 0.0000 51685.7720 -109888.2451 297.0388 -161574.0171 -109535.0434 297.3063 -168.1900 -141.0845 764012.6690 -3.5464 -3.4307 LDB: ============= START OF LOAD BALANCING ============== 1621.72 LDB: ============== END OF LOAD BALANCING =============== 1621.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1621.72 LDB: ============= START OF LOAD BALANCING ============== 1622.03 LDB: Largest compute 7052 load 0.031523 is 16.2% of average load 0.194910 LDB: Average compute 0.004375 is 2.2% of average load 0.194910 LDB: TIME 1622.04 LOAD: AVG 0.19491 MAX 0.214021 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.043 MB LDB: TIME 1622.04 LOAD: AVG 0.19491 MAX 0.214021 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.043 MB LDB: TIME 1622.04 LOAD: AVG 0.19491 MAX 0.214021 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.043 MB LDB: ============== END OF LOAD BALANCING =============== 1622.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1622.05 PRESSURE: 516400 -88.7732 -229.922 -95.7556 -229.922 -116.401 185.594 -95.7553 185.594 -245.607 GPRESSURE: 516400 -64.1396 -358.786 -36.6772 -248.076 -117.295 130.565 -51.4413 274.605 -194.567 PRESSAVG: 516400 49.663 -59.3831 5.25068 -59.3831 -76.1195 -8.1272 5.25068 -8.12722 19.7003 GPRESSAVG: 516400 49.6067 -58.8031 6.05928 -60.357 -76.1256 -9.35786 2.63875 -7.26614 20.1725 TIMING: 516400 CPU: 1609.88, 0.00319838/step Wall: 1609.88, 0.00319839/step, 3.98341 hours remaining, 232.820312 MB of memory in use. ENERGY: 516400 3979.6966 20343.2346 14409.4934 231.4994 -203587.8531 3013.1563 0.0000 0.0000 51670.5516 -109940.2213 296.9514 -161610.7729 -109569.8471 297.3398 -150.2604 -125.3337 762599.3941 -2.2521 -2.1155 PRESSURE: 516600 -293.936 67.8 9.47387 67.8002 -182.836 201.713 9.47399 201.713 -238.006 GPRESSURE: 516600 -319.05 51.6126 106.208 31.1239 -167.157 177.279 -40.6056 75.327 -147.273 PRESSAVG: 516600 -21.7757 -57.2634 -24.8684 -57.2634 41.7098 -14.9993 -24.8685 -14.9992 -3.99779 GPRESSAVG: 516600 -20.7243 -57.3548 -23.0279 -56.9039 41.6493 -13.7692 -24.1158 -16.9252 -5.01726 TIMING: 516600 CPU: 1610.5, 0.00310573/step Wall: 1610.5, 0.00310573/step, 3.86784 hours remaining, 232.820312 MB of memory in use. ENERGY: 516600 3930.3662 20381.5034 14403.9804 250.6621 -203387.4577 2531.3758 0.0000 0.0000 51843.4267 -110046.1432 297.9449 -161889.5699 -109682.0813 297.5155 -238.2592 -211.1603 762727.1390 5.3121 5.3026 PRESSURE: 516800 -270.716 -23.9323 -22.2283 -23.9324 135.93 67.6147 -22.228 67.6147 -231.716 GPRESSURE: 516800 -185.267 -137.939 -68.2154 52.9854 143.712 -13.7054 -113.744 103.425 -242.568 PRESSAVG: 516800 -31.6842 -23.0777 -46.7672 -23.0776 21.4174 9.70082 -46.7671 9.70085 -3.87228 GPRESSAVG: 516800 -33.0268 -21.7944 -48.931 -23.103 21.634 10.2964 -44.9651 9.78267 -2.95309 TIMING: 516800 CPU: 1611.12, 0.00310943/step Wall: 1611.12, 0.00310943/step, 3.87228 hours remaining, 232.820312 MB of memory in use. ENERGY: 516800 3981.1171 20448.1523 14338.8067 243.7748 -203510.3437 2809.1295 0.0000 0.0000 51765.4320 -109923.9313 297.4966 -161689.3633 -109574.9837 297.4661 -122.1675 -94.7075 762083.7348 -4.7130 -4.7820 PRESSURE: 517000 -423.006 -74.1288 -118.947 -74.1281 -107.444 90.7293 -118.948 90.7298 -245.512 GPRESSURE: 517000 -392.989 -95.0291 -104.532 -9.09138 -106.857 150.237 -228.723 45.8101 -184.73 PRESSAVG: 517000 -19.3287 13.8747 -13.9578 13.8747 -29.8234 4.7621 -13.9578 4.76209 -19.6601 GPRESSAVG: 517000 -18.8102 14.7705 -14.3209 14.48 -29.3998 4.41228 -12.508 3.97686 -20.3682 TIMING: 517000 CPU: 1611.74, 0.00310663/step Wall: 1611.74, 0.00310663/step, 3.86862 hours remaining, 232.820312 MB of memory in use. ENERGY: 517000 4037.7230 20513.5714 14440.6978 252.9296 -203638.0384 2730.5543 0.0000 0.0000 51775.2850 -109887.2773 297.5533 -161662.5623 -109526.2063 297.5467 -258.6541 -228.1919 763522.3303 -22.9374 -22.8594 PRESSURE: 517200 -129.457 -143.527 105.086 -143.526 -279.009 114.394 105.085 114.394 -144.621 GPRESSURE: 517200 -85.6095 -101.984 128.699 -202.591 -188.76 70.949 55.6963 24.9254 -201.888 PRESSAVG: 517200 -27.6217 -14.1464 24.4429 -14.1464 29.9307 -42.5289 24.4428 -42.5289 5.99209 GPRESSAVG: 517200 -27.3175 -17.0216 26.7557 -14.302 30.3777 -43.1273 22.3021 -40.4599 5.52486 TIMING: 517200 CPU: 1612.37, 0.00311441/step Wall: 1612.37, 0.00311441/step, 3.87813 hours remaining, 232.820312 MB of memory in use. ENERGY: 517200 3903.1497 20632.4591 14411.6098 237.6897 -203272.5821 2620.6971 0.0000 0.0000 51785.9893 -109680.9874 297.6148 -161466.9768 -109330.0164 297.8143 -184.3622 -158.7525 765083.7318 2.7670 2.8617 PRESSURE: 517400 -265.021 153.199 60.2989 153.199 209.87 -115.368 60.2991 -115.368 17.065 GPRESSURE: 517400 -230.656 46.3647 99.7137 120.901 198.603 -165.682 240.308 -68.6248 74.9662 PRESSAVG: 517400 -38.9416 2.13925 29.656 2.13923 63.3593 31.0839 29.656 31.0839 9.61832 GPRESSAVG: 517400 -39.2092 2.00445 28.6466 1.72538 62.9145 31.8649 30.275 29.2562 10.1499 TIMING: 517400 CPU: 1612.99, 0.0031088/step Wall: 1612.99, 0.00310879/step, 3.87097 hours remaining, 232.820312 MB of memory in use. ENERGY: 517400 3938.1045 20555.8615 14359.6684 250.2561 -203790.6059 3050.1757 0.0000 0.0000 52032.3356 -109604.2039 299.0305 -161636.5396 -109242.7886 298.4797 -12.6952 14.3045 764693.4206 11.3454 11.2851 PRESSURE: 517600 -65.9 -69.6943 184.255 -69.6945 -388.793 76.0004 184.255 76.0013 -548.151 GPRESSURE: 517600 -59.3446 -12.4679 171.431 -97.3648 -349.766 83.328 102.749 12.0325 -513.276 PRESSAVG: 517600 -3.01164 -10.0438 -1.01798 -10.0438 -65.0194 -12.0901 -1.01794 -12.09 -3.56371 GPRESSAVG: 517600 -3.60017 -9.37427 -0.294309 -9.32066 -64.7602 -13.1971 -2.20554 -10.7218 -3.24657 TIMING: 517600 CPU: 1613.61, 0.00310843/step Wall: 1613.61, 0.00310843/step, 3.87034 hours remaining, 232.820312 MB of memory in use. ENERGY: 517600 4024.4644 20495.2331 14416.1635 258.0649 -203602.8945 3013.0702 0.0000 0.0000 51939.3256 -109456.5728 298.4960 -161395.8984 -109091.1521 298.1873 -334.2812 -307.4624 766995.7481 -23.8649 -23.8690 PRESSURE: 517800 -593.582 -89.0376 -34.2338 -89.0376 -142.762 71.8806 -34.2342 71.8796 139.276 GPRESSURE: 517800 -430.739 -208.382 -106.573 -40.2213 -181.534 60.4863 -6.31256 54.2966 93.4479 PRESSAVG: 517800 2.44648 -34.3783 17.5329 -34.3783 -8.85731 24.3831 17.5329 24.3831 -18.3952 GPRESSAVG: 517800 3.98771 -34.3779 17.908 -34.5923 -9.75408 24.401 18.5515 23.3221 -19.1698 TIMING: 517800 CPU: 1614.24, 0.00312872/step Wall: 1614.24, 0.00312872/step, 3.89544 hours remaining, 232.820312 MB of memory in use. ENERGY: 517800 3952.8522 20535.3739 14352.9418 234.1798 -203632.7479 3007.3231 0.0000 0.0000 52011.7459 -109538.3311 298.9122 -161550.0770 -109172.7059 298.2518 -199.0227 -172.9416 763953.4836 -8.2687 -8.3121 PRESSURE: 518000 -44.2037 31.0662 -133.425 31.066 -10.0545 -155.187 -133.425 -155.188 -201.392 GPRESSURE: 518000 -97.091 30.4152 -114.75 24.7528 82.8891 -128.737 -157.654 -77.6898 -155.953 PRESSAVG: 518000 -46.8239 9.94421 8.43595 9.94419 20.8667 -7.74062 8.43596 -7.74063 -2.47676 GPRESSAVG: 518000 -47.5541 9.81056 7.4711 10.7827 21.4222 -7.00374 8.91303 -7.45279 -2.68011 TIMING: 518000 CPU: 1614.86, 0.00312144/step Wall: 1614.86, 0.00312144/step, 3.88619 hours remaining, 232.820312 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: 518000 4092.2136 20425.8970 14429.5826 273.4349 -202963.2029 2653.1924 0.0000 0.0000 51467.7735 -109621.1089 295.7860 -161088.8825 -109264.2908 297.7424 -85.2168 -56.7182 764504.6863 -9.4780 -9.6040 PRESSURE: 518200 -318.59 -26.0618 7.64178 -26.0622 76.443 -100.339 7.6419 -100.34 -206.251 GPRESSURE: 518200 -212.792 -34.302 44.0194 0.0659989 86.5033 -177.765 98.9113 -87.6539 -227.431 PRESSAVG: 518200 14.233 40.0269 41.9618 40.0268 -19.8778 24.5598 41.9617 24.5598 -5.14678 GPRESSAVG: 518200 14.052 40.0673 42.1963 37.6979 -19.1502 26.1978 41.892 23.9942 -5.48589 TIMING: 518200 CPU: 1615.49, 0.00313827/step Wall: 1615.49, 0.00313827/step, 3.90697 hours remaining, 232.820312 MB of memory in use. ENERGY: 518200 3982.5166 20527.3931 14320.7786 246.8714 -203094.1810 2814.7343 0.0000 0.0000 51741.9417 -109459.9452 297.3617 -161201.8869 -109101.3804 297.9887 -149.4660 -117.9066 764279.6610 -3.5972 -3.5280 PRESSURE: 518400 192.389 39.4116 -11.3866 39.4127 87.0201 -67.1817 -11.3857 -67.1814 308.147 GPRESSURE: 518400 214.004 4.35746 -47.8765 -40.0878 117.593 -111.66 39.569 -9.33952 361.268 PRESSAVG: 518400 -41.4886 -36.5082 7.91602 -36.5082 30.1066 48.7178 7.91608 48.7178 -9.81943 GPRESSAVG: 518400 -40.588 -34.732 7.13471 -37.0539 29.4761 47.7317 8.90972 48.5126 -9.65759 TIMING: 518400 CPU: 1616.11, 0.00312007/step Wall: 1616.11, 0.00312007/step, 3.88414 hours remaining, 232.820312 MB of memory in use. ENERGY: 518400 3940.3919 20490.4832 14360.3369 252.7662 -203474.0123 3125.8712 0.0000 0.0000 51799.1241 -109505.0388 297.6903 -161304.1629 -109141.6090 297.9771 195.8522 230.9550 764208.5635 -7.0672 -6.9232 PRESSURE: 518600 -331.258 56.2685 -147.246 56.2679 -342.182 -5.8129 -147.247 -5.81237 -135.137 GPRESSURE: 518600 -285.729 63.026 -112.405 61.3225 -281.08 -43.2528 -70.3657 1.56508 -138.679 PRESSAVG: 518600 -18.2569 -3.01815 -2.26215 -3.01815 25.6891 25.4641 -2.26213 25.4642 5.38546 GPRESSAVG: 518600 -18.2891 -4.41516 -1.91113 -1.75923 25.6551 24.4723 -3.88317 24.659 5.8847 TIMING: 518600 CPU: 1616.74, 0.00311808/step Wall: 1616.74, 0.00311808/step, 3.88149 hours remaining, 232.820312 MB of memory in use. ENERGY: 518600 3972.4301 20445.9485 14378.5407 243.1181 -203077.3186 2765.3564 0.0000 0.0000 51856.6897 -109415.2351 298.0211 -161271.9248 -109052.6815 297.7959 -269.5258 -235.1623 763164.3954 4.2725 4.4169 PRESSURE: 518800 122.373 -51.0909 170.738 -51.0907 -248.025 128.937 170.739 128.936 40.5828 GPRESSURE: 518800 195.37 -74.1979 234.469 24.2987 -147.851 148.659 -19.3305 129.436 -59.0155 PRESSAVG: 518800 2.53746 32.8103 21.8684 32.8103 -50.5239 -21.7355 21.8684 -21.7353 -12.6941 GPRESSAVG: 518800 1.87855 33.5093 22.7673 33.5132 -51.2406 -21.6623 21.1147 -21.7168 -11.15 TIMING: 518800 CPU: 1617.36, 0.00311715/step Wall: 1617.36, 0.00311715/step, 3.88016 hours remaining, 232.820312 MB of memory in use. ENERGY: 518800 3980.3202 20486.7109 14270.3407 258.0382 -203035.2446 2729.3331 0.0000 0.0000 52040.4008 -109270.1007 299.0769 -161310.5016 -108904.3383 298.4579 -28.3566 -3.8321 763868.1693 -20.2268 -20.1707 PRESSURE: 519000 -52.4284 4.79707 186.428 4.79677 -195.58 -71.2693 186.428 -71.2693 -18.3668 GPRESSURE: 519000 -54.399 15.2147 135.435 -19.9567 -108.24 -39.5205 190.575 23.2529 -35.1729 PRESSAVG: 519000 1.40125 -0.0973584 26.0889 -0.0974625 -6.78763 -10.3377 26.0889 -10.3377 14.7262 GPRESSAVG: 519000 0.434585 -1.33341 25.5023 -1.51913 -4.58807 -11.4587 25.8731 -10.2805 13.6781 TIMING: 519000 CPU: 1617.98, 0.00311035/step Wall: 1617.98, 0.00311035/step, 3.87152 hours remaining, 232.820312 MB of memory in use. ENERGY: 519000 4022.4129 20618.6293 14350.3028 237.1870 -203195.5146 2729.2666 0.0000 0.0000 52193.7351 -109043.9809 299.9581 -161237.7159 -108682.4172 298.9039 -88.7917 -65.9371 763176.7051 3.1133 3.1749 PRESSURE: 519200 -48.062 -68.6435 -72.357 -68.6436 -231.665 -125.17 -72.3564 -125.17 -299.574 GPRESSURE: 519200 -59.8178 -220.522 -130.024 61.5174 -94.5358 -137.432 -22.269 -152.972 -360.359 PRESSAVG: 519200 4.59088 11.9248 29.4364 11.9248 2.16786 -23.8217 29.4364 -23.8217 -0.776797 GPRESSAVG: 519200 6.14596 13.5228 29.978 13.4128 1.02065 -23.2281 31.5796 -23.5027 -1.23378 TIMING: 519200 CPU: 1618.61, 0.00313688/step Wall: 1618.61, 0.00313688/step, 3.90437 hours remaining, 232.820312 MB of memory in use. ENERGY: 519200 4014.1081 20345.0324 14367.0419 246.0173 -203370.0048 3028.1673 0.0000 0.0000 52198.7117 -109170.9261 299.9867 -161369.6378 -108803.8745 299.1007 -193.1003 -171.5708 764652.6609 1.9940 1.9776 PRESSURE: 519400 -269.088 198.277 4.00889 198.277 57.1522 -144.256 4.00876 -144.255 135 GPRESSURE: 519400 -133.224 196.605 53.944 180.535 94.2017 -114.562 -47.0778 -230.265 41.8653 PRESSAVG: 519400 -32.7166 17.3677 -27.0362 17.3678 22.9663 38.4126 -27.0363 38.4126 10.5296 GPRESSAVG: 519400 -33.8263 15.7489 -27.7494 17.3995 23.8452 39.3255 -26.7293 37.9543 10.9378 TIMING: 519400 CPU: 1619.24, 0.0031436/step Wall: 1619.24, 0.0031436/step, 3.91255 hours remaining, 232.820312 MB of memory in use. ENERGY: 519400 3935.5662 20634.9774 14419.2347 240.8112 -203057.7283 2765.7031 0.0000 0.0000 51781.0277 -109280.4079 297.5863 -161061.4356 -108922.3080 298.6255 -25.6451 0.9477 764044.6941 0.2598 0.3189 PRESSURE: 519600 -99.4504 284.173 70.0062 284.173 -76.9571 -229.895 70.006 -229.895 -420.066 GPRESSURE: 519600 51.9884 227.476 54.5698 276.597 -138.498 -260.361 50.4533 -293.23 -421.346 PRESSAVG: 519600 -25.199 14.059 28.2582 14.059 19.3461 -20.4132 28.2582 -20.4132 -13.8413 GPRESSAVG: 519600 -25.3557 14.4874 28.1356 13.4334 19.9299 -21.2993 25.3209 -19.4631 -13.3659 TIMING: 519600 CPU: 1619.86, 0.00312566/step Wall: 1619.86, 0.00312566/step, 3.89006 hours remaining, 232.820312 MB of memory in use. ENERGY: 519600 4048.1160 20444.8044 14452.3819 255.2444 -203174.0936 2783.1297 0.0000 0.0000 52151.4545 -109038.9627 299.7151 -161190.4172 -108669.1655 298.9378 -198.8245 -169.2851 763022.5236 -6.5647 -6.2639 PRESSURE: 519800 -468.021 -340.009 -211.123 -340.009 -206.743 -250.987 -211.123 -250.987 -506.945 GPRESSURE: 519800 -397.416 -380.998 -232.856 -171.585 -321.643 -264.992 -88.6334 -152.555 -400.328 PRESSAVG: 519800 -49.5575 -15.9869 -53.0017 -15.9869 46.2686 10.4861 -53.0016 10.4862 -16.2469 GPRESSAVG: 519800 -49.0089 -14.1727 -52.5923 -14.8925 46.3016 10.8939 -50.4625 10.171 -17.2155 TIMING: 519800 CPU: 1620.49, 0.00311331/step Wall: 1620.49, 0.00311331/step, 3.87452 hours remaining, 232.820312 MB of memory in use. ENERGY: 519800 3964.1898 20465.3929 14428.6715 251.9270 -203125.3685 2656.8211 0.0000 0.0000 52085.3000 -109273.0662 299.3349 -161358.3662 -108905.6867 298.4639 -393.9029 -373.1290 764186.0093 -6.5119 -6.6409 PRESSURE: 520000 32.367 43.7206 27.3894 43.7204 241.06 107.287 27.3902 107.286 10.2563 GPRESSURE: 520000 43.2382 -21.8044 37.0131 22.2489 251.958 143.524 -61.2692 -21.5575 76.7975 PRESSAVG: 520000 -36.1046 -18.9627 -1.90069 -18.9626 82.3766 -29.2163 -1.9007 -29.2163 -12.7171 GPRESSAVG: 520000 -35.9671 -18.5013 -2.66446 -20.9816 81.0888 -28.7433 -2.78016 -29.4497 -11.4532 TIMING: 520000 CPU: 1621.11, 0.00311847/step Wall: 1621.11, 0.00311846/step, 3.88076 hours remaining, 232.820312 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: 520000 4010.4354 20473.8136 14424.2982 244.7152 -203141.7254 2911.1395 0.0000 0.0000 51824.5260 -109252.7976 297.8363 -161077.3236 -108903.1967 298.5588 94.5612 123.9980 763727.4658 11.1850 11.2228 PRESSURE: 520200 -391.014 -138.386 106.499 -138.386 172.94 -100.317 106.499 -100.317 214.161 GPRESSURE: 520200 -357.454 -172.095 121.117 -273.975 224.976 -54.7851 40.7305 -22.525 205.147 PRESSAVG: 520200 -6.14376 -5.4683 -7.54236 -5.46837 23.3588 0.282701 -7.54229 0.28266 8.46144 GPRESSAVG: 520200 -6.54679 -8.03501 -7.56631 -3.91143 23.9598 -1.28853 -8.83201 1.84744 7.38258 TIMING: 520200 CPU: 1621.73, 0.00311525/step Wall: 1621.73, 0.00311525/step, 3.87659 hours remaining, 232.820312 MB of memory in use. ENERGY: 520200 4051.4586 20692.6736 14348.7298 254.9759 -203350.3891 2757.7026 0.0000 0.0000 51942.8374 -109302.0112 298.5162 -161244.8486 -108952.9071 298.9396 -1.3044 24.2231 762630.7307 8.5588 8.2652 LDB: ============= START OF LOAD BALANCING ============== 1634.21 LDB: ============== END OF LOAD BALANCING =============== 1634.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1634.21 LDB: ============= START OF LOAD BALANCING ============== 1634.52 LDB: Largest compute 7010 load 0.029852 is 15.3% of average load 0.195002 LDB: Average compute 0.004376 is 2.2% of average load 0.195002 LDB: TIME 1634.53 LOAD: AVG 0.195002 MAX 0.213477 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.363 MB LDB: TIME 1634.53 LOAD: AVG 0.195002 MAX 0.213477 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.363 MB LDB: TIME 1634.53 LOAD: AVG 0.195002 MAX 0.213477 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.363 MB LDB: ============== END OF LOAD BALANCING =============== 1634.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1634.53 PRESSURE: 520400 -57.8593 133.777 -146.18 133.778 18.985 2.85822 -146.179 2.85825 208.678 GPRESSURE: 520400 24.4625 37.6468 -154.34 176.414 48.1393 -106.879 -49.2168 -119.568 191.652 PRESSAVG: 520400 -46.6433 12.5039 -10.4478 12.5039 30.7745 25.5918 -10.4478 25.5918 19.1545 GPRESSAVG: 520400 -46.8746 14.8725 -11.0933 11.8642 29.906 23.6839 -7.02638 27.6707 19.5756 TIMING: 520400 CPU: 1622.37, 0.00317332/step Wall: 1622.37, 0.00317331/step, 3.94866 hours remaining, 234.816406 MB of memory in use. ENERGY: 520400 3993.7298 20443.4990 14395.5872 245.8976 -203256.2135 3036.5280 0.0000 0.0000 51856.2985 -109284.6734 298.0189 -161140.9719 -108918.8741 298.6826 56.6011 88.0846 764593.8065 1.0953 0.8690 PRESSURE: 520600 236.261 271.006 6.72597 271.005 -44.8278 -284.114 6.72652 -284.113 176.751 GPRESSURE: 520600 252.114 191.106 -36.9423 245.348 -18.1655 -175.928 96.4803 -290.842 229.669 PRESSAVG: 520600 -58.3067 -38.2205 -25.186 -38.2204 33.0879 13.3353 -25.1859 13.3352 14.7613 GPRESSAVG: 520600 -57.2855 -40.8501 -25.9396 -35.7978 33.3773 16.8379 -25.57 9.01855 13.8863 TIMING: 520600 CPU: 1622.99, 0.0031024/step Wall: 1622.99, 0.0031024/step, 3.86025 hours remaining, 235.019531 MB of memory in use. ENERGY: 520600 4036.5405 20422.9025 14350.0384 238.1458 -203785.6101 3258.7562 0.0000 0.0000 52296.4976 -109182.7290 300.5487 -161479.2267 -108820.2474 298.8851 122.7280 154.5393 763904.6723 -3.4858 -3.3406 PRESSURE: 520800 -272.843 -113.57 -85.7364 -113.57 -362.081 280.055 -85.7366 280.055 -350.367 GPRESSURE: 520800 -267.509 -104.936 -39.5455 -120.291 -335.067 280.405 -71.6345 313.012 -315.722 PRESSAVG: 520800 4.36431 5.63182 -68.4824 5.63181 22.8115 3.00926 -68.4823 3.00921 7.02632 GPRESSAVG: 520800 2.89321 8.91893 -66.7723 3.67795 23.0169 4.07813 -71.6267 3.18553 8.71238 TIMING: 520800 CPU: 1623.61, 0.00311455/step Wall: 1623.61, 0.00311455/step, 3.87519 hours remaining, 235.019531 MB of memory in use. ENERGY: 520800 4071.9819 20616.0088 14369.0004 264.3571 -202956.0297 2806.1485 0.0000 0.0000 51898.4954 -108930.0375 298.2614 -160828.5330 -108562.7638 299.1609 -328.4301 -306.0994 764027.4612 11.4007 11.5408 PRESSURE: 521000 174.719 40.2989 -99.0661 40.299 -139.992 -20.9071 -99.0656 -20.9062 220.074 GPRESSURE: 521000 116.959 39.3583 -33.556 42.2845 -64.8366 -131.924 -5.77766 104.42 270.758 PRESSAVG: 521000 36.8015 19.2233 -64.6446 19.2232 7.05174 20.8283 -64.6446 20.8282 5.00247 GPRESSAVG: 521000 37.0854 18.0954 -65.2225 19.8314 6.74831 18.2829 -64.5516 23.9143 4.87825 TIMING: 521000 CPU: 1624.23, 0.00310294/step Wall: 1624.23, 0.00310294/step, 3.86058 hours remaining, 235.019531 MB of memory in use. ENERGY: 521000 3974.5734 20641.7956 14452.7152 272.9600 -203004.9140 2877.3669 0.0000 0.0000 51850.4336 -108935.0694 297.9852 -160785.5030 -108580.9454 299.4840 84.9340 107.6268 763309.4080 16.2852 16.2373 PRESSURE: 521200 -44.8886 25.147 -155.467 25.1477 320.21 -62.1126 -155.467 -62.1127 12.1336 GPRESSURE: 521200 117.425 3.35326 -191.517 31.1212 185.123 -17.6628 -152.85 -40.0113 69.8462 PRESSAVG: 521200 30.9134 -1.89693 -122.664 -1.89703 -5.4633 25.7738 -122.664 25.7738 28.1305 GPRESSAVG: 521200 31.9059 -3.47414 -123.958 -3.09327 -6.9199 27.4106 -120.774 23.1246 28.6732 TIMING: 521200 CPU: 1624.86, 0.00312328/step Wall: 1624.86, 0.00312329/step, 3.88571 hours remaining, 235.019531 MB of memory in use. ENERGY: 521200 4008.8290 20454.5633 14434.2841 262.4945 -202962.8488 2982.8262 0.0000 0.0000 52165.4092 -108654.4425 299.7953 -160819.8517 -108297.2258 299.4826 95.8182 124.1315 762139.6820 17.8602 17.8864 PRESSURE: 521400 -4.54983 -43.868 52.0134 -43.8686 72.5567 -204.974 52.0125 -204.974 142.454 GPRESSURE: 521400 71.256 -61.1987 98.9505 23.2938 118.655 -137.384 -31.8871 -200.707 109.374 PRESSAVG: 521400 71.6566 -46.588 -40.5107 -46.5879 -45.4694 -41.0758 -40.5107 -41.0758 -35.2101 GPRESSAVG: 521400 72.2072 -46.6585 -39.5338 -44.2946 -44.2838 -40.8361 -41.9636 -39.7735 -36.385 TIMING: 521400 CPU: 1625.48, 0.00312416/step Wall: 1625.48, 0.00312416/step, 3.88662 hours remaining, 235.019531 MB of memory in use. ENERGY: 521400 3965.9922 20647.7569 14374.2509 245.6993 -202484.0922 2670.8043 0.0000 0.0000 51973.8230 -108605.7657 298.6943 -160579.5886 -108245.7330 299.9679 70.1536 99.7615 764048.6133 -3.0076 -2.8205 PRESSURE: 521600 56.7948 19.5401 -135.638 19.541 -63.012 159.021 -135.639 159.02 -112.38 GPRESSURE: 521600 107.334 34.7709 -164.847 -12.8934 -28.2476 112.99 6.91364 164.804 -95.0743 PRESSAVG: 521600 23.0648 17.2381 3.5851 17.2381 -60.118 23.8577 3.58513 23.8576 -7.59917 GPRESSAVG: 521600 21.9342 17.6033 3.94776 18.2393 -60.4334 24.2444 6.10723 23.648 -6.79564 TIMING: 521600 CPU: 1626.1, 0.00310788/step Wall: 1626.1, 0.00310788/step, 3.8662 hours remaining, 235.019531 MB of memory in use. ENERGY: 521600 3925.3022 20620.4647 14391.1819 235.5044 -202506.5203 2591.7693 0.0000 0.0000 51996.7556 -108745.5422 298.8261 -160742.2978 -108397.6321 299.5412 -39.5325 -5.3292 765666.1167 -14.8841 -15.0983 PRESSURE: 521800 98.0772 150.745 151.177 150.746 54.2651 -5.52392 151.176 -5.52443 308.11 GPRESSURE: 521800 156.797 86.4561 89.3762 207.991 79.0846 41.3691 26.1278 -78.3364 320.018 PRESSAVG: 521800 5.95775 13.7186 -23.5243 13.7185 15.0574 22.4553 -23.5243 22.4554 -11.8171 GPRESSAVG: 521800 6.3133 15.0729 -24.6291 12.4662 14.2896 22.7566 -24.0134 21.6176 -11.4266 TIMING: 521800 CPU: 1626.72, 0.00310272/step Wall: 1626.72, 0.00310272/step, 3.85961 hours remaining, 235.019531 MB of memory in use. ENERGY: 521800 3988.1659 20563.1006 14375.8010 231.5722 -202925.4073 2844.5234 0.0000 0.0000 52137.7063 -108784.5378 299.6361 -160922.2441 -108418.3513 299.4496 153.4842 185.2998 765508.0237 3.0660 3.0588 PRESSURE: 522000 116.097 19.4134 -205.342 19.4132 -80.7318 47.0445 -205.342 47.0442 -84.3614 GPRESSURE: 522000 150.295 -42.2109 -165.906 14.9151 -93.9076 -41.2962 -178.127 120.351 -22.8565 PRESSAVG: 522000 10.2314 -35.7308 10.6481 -35.7309 -26.0122 -3.22038 10.6481 -3.22039 2.76304 GPRESSAVG: 522000 9.1717 -37.0065 12.4238 -35.3437 -22.6898 -5.67458 9.04062 -1.9932 0.817049 TIMING: 522000 CPU: 1627.34, 0.00309703/step Wall: 1627.34, 0.00309703/step, 3.85236 hours remaining, 235.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 522000 4016.7830 20430.6393 14419.3460 253.7282 -202861.9132 2520.1008 0.0000 0.0000 52168.5889 -109052.7268 299.8136 -161221.3157 -108694.2327 299.1862 -16.3320 11.1771 762134.2567 -4.3393 -4.2337 PRESSURE: 522200 -15.2086 10.9878 -174.333 10.9876 -26.5055 166.07 -174.334 166.07 1.81979 GPRESSURE: 522200 76.9055 87.5051 -130.165 21.9576 -94.3186 186.295 -105.412 219.839 47.1936 PRESSAVG: 522200 -5.96171 -3.60279 -67.9637 -3.60278 77.4506 19.8782 -67.9637 19.8782 -9.1627 GPRESSAVG: 522200 -5.51898 -4.64503 -68.1162 -1.1878 75.5925 21.514 -66.4567 20.5552 -7.12467 TIMING: 522200 CPU: 1627.96, 0.00310722/step Wall: 1627.96, 0.00310722/step, 3.86487 hours remaining, 235.019531 MB of memory in use. ENERGY: 522200 3990.5331 20681.2288 14415.3058 254.8323 -202793.8936 2498.1857 0.0000 0.0000 51937.8949 -109015.9129 298.4878 -160953.8078 -108651.8116 299.6482 -13.2981 9.9268 761902.6942 20.7754 20.9830 PRESSURE: 522400 -126.733 30.9574 176.103 30.9574 -253.546 43.3683 176.103 43.3673 -125.414 GPRESSURE: 522400 -21.107 92.218 120.06 77.5269 -307.983 6.1343 64.9531 -1.09002 -113.462 PRESSAVG: 522400 17.8939 40.0924 -21.2906 40.0924 -35.5882 -11.8511 -21.2906 -11.8511 15.0085 GPRESSAVG: 522400 18.6928 40.9262 -22.3273 38.785 -36.1259 -12.1953 -23.4139 -13.0815 14.2614 TIMING: 522400 CPU: 1628.58, 0.00309475/step Wall: 1628.58, 0.00309475/step, 3.84918 hours remaining, 235.019531 MB of memory in use. ENERGY: 522400 4032.8062 20552.3512 14370.0483 258.1032 -202970.0627 2653.5892 0.0000 0.0000 52216.7164 -108886.4482 300.0902 -161103.1646 -108521.0055 299.5588 -168.5641 -147.5174 763255.9464 -0.8953 -1.0572 PRESSURE: 522600 86.4732 138.169 135.751 138.169 197.228 326.153 135.75 326.154 -253.627 GPRESSURE: 522600 61.6742 119.542 153.588 105.896 252.57 289.493 76.9086 192.746 -211.523 PRESSAVG: 522600 22.667 42.1568 -32.9735 42.1569 -14.3999 47.3289 -32.9735 47.329 -20.3891 GPRESSAVG: 522600 22.0935 43.2382 -32.6723 42.4077 -13.4465 45.8877 -32.9044 48.6986 -20.9983 TIMING: 522600 CPU: 1629.21, 0.00312777/step Wall: 1629.21, 0.00312777/step, 3.89008 hours remaining, 235.019531 MB of memory in use. ENERGY: 522600 3991.6784 20599.2829 14405.5889 230.1093 -202980.0286 2788.9664 0.0000 0.0000 52010.7573 -108953.6454 298.9065 -160964.4027 -108592.6890 299.9347 10.0246 34.2405 762836.3164 -4.0406 -4.1171 PRESSURE: 522800 -22.715 -158.225 71.2629 -158.227 -401.144 135.022 71.2625 135.021 -75.7193 GPRESSURE: 522800 20.4214 -120.429 112.174 -93.2615 -377.932 193.666 88.7186 98.6298 -55.6662 PRESSAVG: 522800 8.27291 38.4911 -34.7108 38.4911 -11.2366 15.7613 -34.7108 15.7614 -5.99491 GPRESSAVG: 522800 8.49347 38.6379 -34.6785 37.9573 -11.6495 18.1603 -32.7208 12.7959 -5.517 TIMING: 522800 CPU: 1629.83, 0.00311964/step Wall: 1629.83, 0.00311964/step, 3.87979 hours remaining, 235.019531 MB of memory in use. ENERGY: 522800 3933.4023 20499.6246 14422.0850 241.6727 -202945.5322 2643.1258 0.0000 0.0000 52173.1893 -109032.4325 299.8400 -161205.6218 -108662.6967 299.2989 -166.5262 -137.7256 763409.2729 -2.9862 -2.8910 PRESSURE: 523000 213.145 128.83 16.7524 128.83 -253.359 -394.966 16.7528 -394.966 85.0161 GPRESSURE: 523000 188.812 119.735 -94.5009 68.7695 -205.744 -362.845 101.851 -252.951 157.24 PRESSAVG: 523000 13.6435 -40.3776 -6.17711 -40.3777 9.03003 4.40488 -6.17717 4.40483 11.8625 GPRESSAVG: 523000 13.6826 -39.2955 -6.36867 -41.0259 9.0835 3.79799 -5.88494 4.90924 12.0566 TIMING: 523000 CPU: 1630.45, 0.00310088/step Wall: 1630.45, 0.00310088/step, 3.85629 hours remaining, 235.019531 MB of memory in use. ENERGY: 523000 3937.5079 20665.0096 14451.5377 262.0711 -202816.5321 2950.4863 0.0000 0.0000 51740.7820 -108809.1375 297.3550 -160549.9195 -108459.2961 299.7470 14.9340 46.7694 764320.1455 11.5120 11.6076 PRESSURE: 523200 -160.012 -15.7104 129.631 -15.7103 -33.3651 53.7172 129.631 53.7158 -148.17 GPRESSURE: 523200 -53.1991 98.5809 72.7922 67.1438 -2.02606 78.8688 185.36 116.152 -194.565 PRESSAVG: 523200 0.212342 -8.98251 -16.2545 -8.98248 -11.1488 53.4293 -16.2545 53.4293 7.24795 GPRESSAVG: 523200 -0.379433 -7.09509 -15.5267 -9.60409 -9.76353 53.0196 -17.2724 54.0774 6.91365 TIMING: 523200 CPU: 1631.07, 0.00310432/step Wall: 1631.07, 0.00310432/step, 3.86039 hours remaining, 235.019531 MB of memory in use. ENERGY: 523200 3975.8525 20544.8843 14458.0265 252.7196 -202612.6823 2405.0263 0.0000 0.0000 52074.9751 -108901.1980 299.2756 -160976.1731 -108539.1283 298.8920 -113.8488 -83.2633 764346.5036 -1.2295 -1.0764 PRESSURE: 523400 173.429 8.80309 -55.1603 8.80255 365.643 59.7637 -55.1612 59.7638 -145.432 GPRESSURE: 523400 196.687 45.5946 92.9651 -38.6279 397.419 -12.2493 -21.8173 103.309 -117.54 PRESSAVG: 523400 -22.9008 -10.0513 -45.825 -10.0513 66.5573 -8.80714 -45.8251 -8.80715 3.64633 GPRESSAVG: 523400 -22.2412 -10.6482 -46.3932 -8.98916 65.0909 -10.3515 -46.1785 -9.99152 4.051 TIMING: 523400 CPU: 1631.69, 0.0031107/step Wall: 1631.69, 0.0031107/step, 3.86816 hours remaining, 235.019531 MB of memory in use. ENERGY: 523400 3960.2770 20719.6138 14411.1996 266.5968 -203227.6358 2932.0565 0.0000 0.0000 52049.2745 -108888.6175 299.1279 -160937.8920 -108520.0114 299.5818 131.2136 158.8557 763108.8170 15.7676 15.6336 PRESSURE: 523600 45.5331 114.999 145.327 114.999 170.026 -19.1359 145.327 -19.1347 73.1477 GPRESSURE: 523600 124.051 21.8982 198.497 162.042 143.456 36.9147 143.97 44.3586 99.0787 PRESSAVG: 523600 5.81924 -5.01333 -38.6943 -5.01341 34.4726 19.6653 -38.6944 19.6653 -2.86338 GPRESSAVG: 523600 5.93828 -7.28225 -38.321 -5.51301 34.0615 21.3101 -38.6698 19.6711 -3.34488 TIMING: 523600 CPU: 1632.31, 0.00309614/step Wall: 1632.31, 0.00309614/step, 3.84987 hours remaining, 235.019531 MB of memory in use. ENERGY: 523600 3977.7960 20542.5132 14339.6481 237.4226 -203039.5484 2865.4901 0.0000 0.0000 52040.1416 -109036.5367 299.0754 -161076.6783 -108657.4787 299.5466 96.2355 122.1950 763272.0597 12.4761 12.2183 PRESSURE: 523800 15.978 82.1386 -377.44 82.1388 -162.748 205.204 -377.44 205.203 299.73 GPRESSURE: 523800 63.6737 124.008 -360.99 139.728 -120.338 230.567 -328.566 303.592 283.515 PRESSAVG: 523800 -1.32284 16.6093 -62.4657 16.6094 12.7305 21.3493 -62.4658 21.3494 -0.897632 GPRESSAVG: 523800 -0.772557 18.5541 -61.3465 15.5215 12.3451 21.1667 -61.3781 22.3242 -0.667492 TIMING: 523800 CPU: 1632.93, 0.00308906/step Wall: 1632.93, 0.00308906/step, 3.8409 hours remaining, 235.019531 MB of memory in use. ENERGY: 523800 4034.7187 20506.1386 14351.0391 240.7019 -203641.7810 3188.9034 0.0000 0.0000 52172.0913 -109148.1879 299.8337 -161320.2792 -108786.7298 299.3427 50.9864 75.6168 761710.0124 3.5034 3.6350 PRESSURE: 524000 79.7929 180.068 -280.657 180.069 -44.0206 23.3549 -280.657 23.353 76.5586 GPRESSURE: 524000 85.8743 166.73 -306.082 59.8601 65.9282 47.3119 -94.1882 83.3707 5.13757 PRESSAVG: 524000 25.5572 -25.015 -7.28051 -25.0151 -23.9235 -21.5257 -7.28054 -21.5256 8.35371 GPRESSAVG: 524000 24.4247 -26.41 -7.59206 -23.3837 -22.0909 -21.9511 -6.47752 -19.9175 7.4179 TIMING: 524000 CPU: 1633.55, 0.00309457/step Wall: 1633.55, 0.00309457/step, 3.84758 hours remaining, 235.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 524000 4035.1597 20674.3309 14363.1615 240.3614 -203436.3656 2962.8174 0.0000 0.0000 51935.4799 -109225.0547 298.4739 -161160.5346 -108868.7394 299.3158 37.4436 52.3134 763014.9569 3.3291 3.2506 PRESSURE: 524200 -172.144 79.4837 -177.863 79.4845 313.256 136.264 -177.863 136.264 55.9324 GPRESSURE: 524200 -120.302 59.7411 -134.927 30.6457 291.605 147.563 -222.033 145.534 98.5392 PRESSAVG: 524200 -4.28274 -37.7626 -16.0797 -37.7625 -0.445836 17.0665 -16.0797 17.0664 -4.93476 GPRESSAVG: 524200 -2.62437 -37.9155 -16.4834 -38.7318 -2.12736 17.0203 -17.1712 14.1405 -4.77865 TIMING: 524200 CPU: 1634.17, 0.00309626/step Wall: 1634.17, 0.00309626/step, 3.84951 hours remaining, 235.019531 MB of memory in use. ENERGY: 524200 3906.0159 20553.1055 14394.7682 260.1471 -202983.2999 2734.3218 0.0000 0.0000 52181.2707 -108953.6707 299.8865 -161134.9414 -108584.7607 299.5466 65.6814 89.9476 761560.6290 -3.2211 -3.1768 LDB: ============= START OF LOAD BALANCING ============== 1646.65 LDB: ============== END OF LOAD BALANCING =============== 1646.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1646.65 LDB: ============= START OF LOAD BALANCING ============== 1646.96 LDB: Largest compute 7052 load 0.030257 is 15.5% of average load 0.194872 LDB: Average compute 0.004394 is 2.3% of average load 0.194872 LDB: TIME 1646.96 LOAD: AVG 0.194872 MAX 0.216839 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.047 MB LDB: TIME 1646.97 LOAD: AVG 0.194872 MAX 0.216839 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.145 MB LDB: TIME 1646.97 LOAD: AVG 0.194872 MAX 0.216839 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.145 MB LDB: ============== END OF LOAD BALANCING =============== 1646.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1646.97 PRESSURE: 524400 -262.157 -24.1929 67.8306 -24.1934 -230.734 -147.332 67.8303 -147.333 -43.0554 GPRESSURE: 524400 -225.624 20.1102 94.8015 -29.8303 -233.942 -107.164 82.3436 -90.5021 10.1253 PRESSAVG: 524400 -3.85923 30.7406 -31.2009 30.7405 11.7503 28.7121 -31.2009 28.7121 0.422679 GPRESSAVG: 524400 -5.33111 29.6313 -30.8011 33.1459 11.2411 28.6039 -32.2215 29.9299 2.00804 TIMING: 524400 CPU: 1634.81, 0.00317993/step Wall: 1634.81, 0.00317993/step, 3.95336 hours remaining, 233.535156 MB of memory in use. ENERGY: 524400 3959.1888 20570.4989 14368.6859 249.6019 -203352.9169 2987.3962 0.0000 0.0000 52128.9488 -109088.5964 299.5858 -161217.5452 -108735.6436 299.8512 -178.6490 -149.8136 764119.4236 2.7712 2.6393 PRESSURE: 524600 -197.705 114.3 -111.589 114.3 9.8237 53.4782 -111.588 53.4782 -371.816 GPRESSURE: 524600 -195.366 64.1214 -106.757 96.5102 55.6318 56.9664 -149.053 12.6726 -324.075 PRESSAVG: 524600 -39.3114 8.62615 -26.9942 8.62613 17.5479 -13.0044 -26.9942 -13.0043 9.75805 GPRESSAVG: 524600 -39.5691 10.2562 -26.6278 5.57489 18.9771 -13.1365 -26.6481 -14.2989 8.91984 TIMING: 524600 CPU: 1635.42, 0.00309661/step Wall: 1635.42, 0.00309661/step, 3.84961 hours remaining, 233.535156 MB of memory in use. ENERGY: 524600 4019.2934 20714.2199 14372.3970 261.7200 -202900.0024 2685.7705 0.0000 0.0000 51840.0917 -109006.5100 297.9257 -160846.6017 -108647.4966 299.3193 -186.5657 -154.6030 762273.8276 -4.0018 -3.8907 PRESSURE: 524800 -88.1925 -84.363 -146.993 -84.3625 -50.6525 43.444 -146.994 43.444 -6.42614 GPRESSURE: 524800 36.7768 -37.3792 -211.16 26.7058 -17.7314 67.409 -182.559 72.8835 -87.9802 PRESSAVG: 524800 10.9669 -22.4316 54.708 -22.4315 16.9335 2.01877 54.7079 2.01885 4.38031 GPRESSAVG: 524800 12.5103 -22.1435 54.3208 -20.8391 16.546 2.34948 52.0824 2.89444 2.99676 TIMING: 524800 CPU: 1636.05, 0.00313611/step Wall: 1636.05, 0.00313611/step, 3.89854 hours remaining, 233.535156 MB of memory in use. ENERGY: 524800 3941.3936 20722.4306 14407.6259 249.8559 -203342.5781 2849.3582 0.0000 0.0000 52016.9243 -109154.9897 298.9420 -161171.9139 -108797.7500 299.4553 -48.4237 -22.9783 760829.3562 10.7602 10.6844 PRESSURE: 525000 223.926 216.027 -88.4141 216.027 292.578 -138.496 -88.4142 -138.495 226.174 GPRESSURE: 525000 249.274 137.167 -124.318 172.201 256.232 -131.036 110.158 -163.686 302.171 PRESSAVG: 525000 -57.189 43.0171 -13.234 43.0171 22.3614 13.5419 -13.234 13.5418 21.2035 GPRESSAVG: 525000 -58.5243 42.0822 -14.8488 42.4176 21.8202 14.0504 -7.47055 12.1597 22.6828 TIMING: 525000 CPU: 1636.68, 0.00315101/step Wall: 1636.68, 0.00315101/step, 3.91689 hours remaining, 233.535156 MB of memory in use. ENERGY: 525000 4022.5504 20484.2506 14356.0852 238.1215 -203241.3161 3066.3509 0.0000 0.0000 51908.9634 -109164.9941 298.3215 -161073.9574 -108809.9089 299.0227 247.5593 269.2257 762733.4652 -4.5413 -4.6738 PRESSURE: 525200 69.9023 -123.612 -109.503 -123.613 121.067 -47.3562 -109.504 -47.3575 -42.3449 GPRESSURE: 525200 -16.4882 -85.3636 -85.3908 -167.8 181.915 -116.027 -113.559 94.3635 56.0768 PRESSAVG: 525200 0.699826 -64.5684 -32.3104 -64.5684 47.9127 -56.7779 -32.3104 -56.778 26.6544 GPRESSAVG: 525200 0.981687 -65.2172 -31.6153 -66.1754 48.2918 -58.1442 -33.7095 -54.7776 26.3145 TIMING: 525200 CPU: 1637.31, 0.00311589/step Wall: 1637.31, 0.00311589/step, 3.87306 hours remaining, 233.535156 MB of memory in use. ENERGY: 525200 4081.7120 20617.1825 14426.6915 234.0981 -203450.7088 3048.0231 0.0000 0.0000 51995.6624 -109047.3392 298.8198 -161043.0017 -108682.9767 299.3974 49.5415 73.8345 763103.9315 25.0890 25.1960 PRESSURE: 525400 239.95 -246.178 209.215 -246.178 148.674 167.358 209.215 167.357 -207.274 GPRESSURE: 525400 198.337 -251.339 199.637 -218.723 213.636 124.121 208.193 99.584 -158.717 PRESSAVG: 525400 -21.7331 -40.2423 27.0587 -40.2423 -39.4897 -33.3521 27.0587 -33.352 -1.74804 GPRESSAVG: 525400 -20.9606 -37.8306 27.6716 -38.4604 -40.5151 -34.0168 24.7006 -35.3041 -2.12474 TIMING: 525400 CPU: 1637.93, 0.00311549/step Wall: 1637.93, 0.00311549/step, 3.87239 hours remaining, 233.535156 MB of memory in use. ENERGY: 525400 4007.6536 20491.2636 14459.7952 244.0679 -203258.4058 2897.3959 0.0000 0.0000 52218.4129 -108939.8167 300.0999 -161158.2296 -108576.0052 299.1054 60.4496 84.4188 762788.3111 -20.9903 -21.2001 PRESSURE: 525600 -191.79 -8.55996 -68.7145 -8.55944 -124.28 -26.0449 -68.7147 -26.0444 -35.996 GPRESSURE: 525600 -274.088 6.90916 -52.0647 9.15087 -24.914 33.58 -57.6341 -12.6391 49.3221 PRESSAVG: 525600 -67.4527 -8.82687 -20.1997 -8.82694 62.8911 -54.6816 -20.1997 -54.6815 -14.8324 GPRESSAVG: 525600 -69.1174 -11.5596 -21.7917 -8.52523 64.4822 -52.1582 -20.16 -55.133 -14.5998 TIMING: 525600 CPU: 1638.55, 0.00310129/step Wall: 1638.55, 0.00310129/step, 3.85456 hours remaining, 233.535156 MB of memory in use. ENERGY: 525600 4089.9910 20505.1471 14484.9134 257.4764 -203222.3715 2669.4636 0.0000 0.0000 52240.3625 -108975.0175 300.2261 -161215.3800 -108613.2823 299.4074 -117.3553 -83.2267 762571.4793 -6.4647 -6.4117 PRESSURE: 525800 -36.6581 22.9238 -140.571 22.9243 -323.606 -86.719 -140.571 -86.7185 -435.15 GPRESSURE: 525800 -67.0624 -25.2087 -99.4604 -68.9861 -245.427 -53.6441 -71.7352 21.594 -405.208 PRESSAVG: 525800 7.98985 -6.44309 -27.8091 -6.44306 -15.2314 13.9119 -27.8091 13.9119 30.2557 GPRESSAVG: 525800 9.68842 -4.11342 -26.7699 -6.27829 -17.1961 13.8463 -26.325 15.2205 30.6052 TIMING: 525800 CPU: 1639.17, 0.00311415/step Wall: 1639.17, 0.00311415/step, 3.87036 hours remaining, 233.535156 MB of memory in use. ENERGY: 525800 4033.9623 20642.0536 14428.4639 244.2739 -203189.7764 2897.1547 0.0000 0.0000 51869.6657 -109074.2024 298.0957 -160943.8681 -108712.7111 299.1930 -265.1381 -239.2326 763642.7200 7.6714 7.6992 PRESSURE: 526000 9.19286 129.784 29.0276 129.784 -172.475 193.693 29.0273 193.693 194.323 GPRESSURE: 526000 -38.6578 136.37 3.45333 124.981 -53.7229 218.968 63.4029 88.3617 213.809 PRESSAVG: 526000 24.2077 -19.7003 -4.18734 -19.7003 -11.1111 15.4799 -4.18738 15.4798 15.5524 GPRESSAVG: 526000 23.3882 -20.1335 -4.89965 -20.6171 -9.15457 14.5938 -4.25953 14.6496 14.2508 TIMING: 526000 CPU: 1639.8, 0.00312438/step Wall: 1639.8, 0.00312438/step, 3.88291 hours remaining, 233.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 526000 3990.7739 20363.8324 14385.9704 260.1224 -203255.0859 2960.1065 0.0000 0.0000 52172.1469 -109122.1333 299.8340 -161294.2802 -108758.7639 299.1422 10.3469 40.4762 763761.2411 9.5497 9.4948 PRESSURE: 526200 94.6234 -26.7351 154.375 -26.7349 20.8214 135.722 154.375 135.724 -101.029 GPRESSURE: 526200 126.495 -13.3625 134.395 -32.4029 57.7204 222.89 85.0951 15.7508 -57.4661 PRESSAVG: 526200 -6.15454 18.7668 11.5358 18.7668 56.0259 -19.6148 11.5358 -19.6147 -29.347 GPRESSAVG: 526200 -6.00032 19.1753 11.2448 18.3974 55.0549 -19.5938 10.1422 -17.9877 -27.9409 TIMING: 526200 CPU: 1640.42, 0.00311872/step Wall: 1640.42, 0.00311872/step, 3.87571 hours remaining, 233.535156 MB of memory in use. ENERGY: 526200 3991.0471 20515.6275 14449.8213 235.8145 -203156.8172 2825.8663 0.0000 0.0000 52127.4291 -109011.2114 299.5771 -161138.6405 -108652.0930 299.0244 4.8052 42.2498 763795.3127 6.8415 7.0379 PRESSURE: 526400 25.1198 -65.1397 -215.88 -65.1399 -318.872 30.8636 -215.88 30.8632 174.038 GPRESSURE: 526400 73.5734 -48.2744 -241.062 -111.748 -274.58 46.1418 -214.037 73.1631 171.437 PRESSAVG: 526400 40.3298 -14.2469 1.94967 -14.2469 -39.6906 19.0006 1.94967 19.0007 25.6057 GPRESSAVG: 526400 41.244 -14.3452 1.28794 -14.8864 -39.7347 18.5321 4.58865 16.9847 25.4542 TIMING: 526400 CPU: 1641.05, 0.00313664/step Wall: 1641.05, 0.00313664/step, 3.89779 hours remaining, 233.535156 MB of memory in use. ENERGY: 526400 4037.5259 20594.2205 14443.4803 243.3279 -202753.7694 2709.5963 0.0000 0.0000 52040.3490 -108685.2694 299.0766 -160725.6185 -108323.6596 299.8590 -39.9046 -9.8566 765080.6790 8.7483 8.9879 PRESSURE: 526600 47.7001 52.6895 -10.6035 52.6904 -157.391 -108.61 -10.6036 -108.61 388.5 GPRESSURE: 526600 108.926 56.9725 1.06339 108.943 -82.5554 -74.3731 113.864 -60.4291 329.206 PRESSAVG: 526600 -20.3287 -28.8194 -1.16793 -28.8194 5.54094 -9.57642 -1.1679 -9.57636 -34.8099 GPRESSAVG: 526600 -19.8654 -29.8399 0.584783 -30.262 5.19638 -10.0383 -2.04392 -7.09999 -34.9101 TIMING: 526600 CPU: 1641.67, 0.00312933/step Wall: 1641.67, 0.00312933/step, 3.88855 hours remaining, 233.535156 MB of memory in use. ENERGY: 526600 4013.6600 20535.6368 14437.2283 257.8546 -203176.3878 3105.3176 0.0000 0.0000 52260.4133 -108566.2773 300.3413 -160826.6905 -108200.8106 300.1170 92.9364 118.5256 763768.1884 -16.5325 -16.5264 PRESSURE: 526800 -400.677 142.228 147.295 142.228 -146.632 99.2493 147.296 99.2485 -170.749 GPRESSURE: 526800 -329.833 179.601 119.398 98.5686 -116.646 174.69 3.93156 -90.8172 -181.773 PRESSAVG: 526800 -65.4106 40.0011 -46.2048 40.0011 55.2789 36.2984 -46.2048 36.2985 17.6697 GPRESSAVG: 526800 -66.4509 41.0608 -47.063 41.3528 56.6214 37.6254 -45.4072 33.909 17.3897 TIMING: 526800 CPU: 1642.3, 0.00313885/step Wall: 1642.3, 0.00313885/step, 3.9002 hours remaining, 233.535156 MB of memory in use. ENERGY: 526800 4027.4959 20449.9725 14408.9873 245.0678 -202717.7340 2642.3537 0.0000 0.0000 52301.4641 -108642.3925 300.5772 -160943.8567 -108279.6626 299.6713 -239.3528 -209.4175 766118.9339 2.5126 2.5201 PRESSURE: 527000 206.488 256.823 -88.0987 256.822 -138.776 -96.574 -88.0996 -96.5748 142.052 GPRESSURE: 527000 229.364 206.686 -142.065 267.963 -148.91 -6.00036 -35.3952 -165.953 200.35 PRESSAVG: 527000 27.2599 29.5604 -7.81492 29.5605 -10.0415 4.46156 -7.81488 4.46154 -2.58337 GPRESSAVG: 527000 26.5223 29.333 -8.67641 29.773 -10.4872 3.23126 -9.86704 6.26065 -1.9322 TIMING: 527000 CPU: 1642.93, 0.00312977/step Wall: 1642.93, 0.00312977/step, 3.88874 hours remaining, 233.535156 MB of memory in use. ENERGY: 527000 3935.6587 20505.1698 14505.8480 250.8813 -202948.9011 2795.4502 0.0000 0.0000 52245.1561 -108710.7370 300.2536 -160955.8931 -108343.7234 300.4283 69.9210 93.6012 765344.2750 4.8783 4.7010 PRESSURE: 527200 133.517 226.05 -26.633 226.05 -182.505 235.665 -26.6333 235.664 64.8006 GPRESSURE: 527200 180.903 203.824 37.2359 127.878 -136.408 194.682 71.808 200.07 73.2208 PRESSAVG: 527200 16.3327 -0.944608 -44.8572 -0.944646 -25.8056 0.153921 -44.8573 0.15395 6.87949 GPRESSAVG: 527200 17.512 -2.04038 -42.2598 -0.331733 -26.7402 1.14289 -44.4052 -0.287966 6.28144 TIMING: 527200 CPU: 1643.55, 0.00313386/step Wall: 1643.55, 0.00313387/step, 3.89365 hours remaining, 233.535156 MB of memory in use. ENERGY: 527200 3994.9930 20463.3383 14412.0710 241.0658 -203046.2443 2988.0195 0.0000 0.0000 52048.0302 -108898.7265 299.1207 -160946.7567 -108526.7019 299.3497 5.2708 39.2386 763180.3618 -0.8645 -0.9822 PRESSURE: 527400 -244.954 118.031 47.3203 118.032 -294.779 388.142 47.3198 388.141 -152.868 GPRESSURE: 527400 -313.019 132.384 -29.1593 53.6719 -231.69 332.973 93.9752 213.602 -83.8643 PRESSAVG: 527400 77.7346 11.1664 -17.901 11.1664 -76.5807 0.835109 -17.901 0.835107 15.543 GPRESSAVG: 527400 76.3832 11.4656 -19.488 9.17519 -75.765 1.64325 -17.7109 -1.22618 16.1489 TIMING: 527400 CPU: 1644.18, 0.0031367/step Wall: 1644.18, 0.0031367/step, 3.897 hours remaining, 233.535156 MB of memory in use. ENERGY: 527400 4008.2770 20575.2209 14443.7514 252.9270 -202982.4835 2954.3168 0.0000 0.0000 52037.1602 -108710.8302 299.0583 -160747.9904 -108353.4339 299.7760 -230.8671 -209.5243 766369.9646 5.5656 5.5890 PRESSURE: 527600 -245.189 -22.8777 -49.2618 -22.8773 54.0992 151.189 -49.2612 151.188 -260.653 GPRESSURE: 527600 -205.312 -111.667 28.7273 -80.8211 106.01 209.538 -44.9398 16.7551 -276.795 PRESSAVG: 527600 -16.1363 -4.60136 -20.5347 -4.60141 -10.4587 29.4591 -20.5346 29.4591 6.07274 GPRESSAVG: 527600 -16.1287 -4.22477 -19.6028 -3.26076 -10.2318 28.9415 -20.8299 29.6591 6.22431 TIMING: 527600 CPU: 1644.81, 0.00312114/step Wall: 1644.81, 0.00312114/step, 3.8775 hours remaining, 233.535156 MB of memory in use. ENERGY: 527600 3989.0547 20581.1635 14459.9207 234.2905 -202794.2897 2815.8330 0.0000 0.0000 51989.9492 -108724.0781 298.7870 -160714.0273 -108364.0632 299.6437 -150.5807 -125.3659 765873.6353 -6.8407 -6.7121 PRESSURE: 527800 -214.817 -8.13857 255.624 -8.14007 -626.57 96.8545 255.625 96.8542 -613.923 GPRESSURE: 527800 -143.904 81.8695 270.691 -112.888 -700.848 180.796 156.498 164.792 -527.7 PRESSAVG: 527800 6.77644 8.89708 53.0996 8.89704 -28.5308 9.25857 53.0995 9.25853 -23.3917 GPRESSAVG: 527800 7.42801 8.22246 51.9237 8.40995 -29.1645 10.8415 54.3767 10.2017 -23.7214 TIMING: 527800 CPU: 1645.43, 0.00310253/step Wall: 1645.43, 0.00310253/step, 3.8542 hours remaining, 233.535156 MB of memory in use. ENERGY: 527800 4018.3077 20378.6470 14440.2048 254.2320 -202794.6956 2519.7483 0.0000 0.0000 52134.5698 -109048.9861 299.6181 -161183.5558 -108690.2491 299.0780 -485.1034 -457.4840 764842.1616 -15.0487 -15.1526 PRESSURE: 528000 -163.074 -63.8469 -177.174 -63.846 -202.877 28.4182 -177.174 28.4173 -597.894 GPRESSURE: 528000 -171.691 -108.247 -132.754 56.0053 -176.761 19.1226 -80.1169 39.6864 -544.039 PRESSAVG: 528000 43.472 36.2658 19.604 36.2658 -70.9321 -10.6916 19.604 -10.6917 -16.1883 GPRESSAVG: 528000 42.2146 38.284 21.4442 35.4046 -70.5054 -12.5469 18.0074 -11.9486 -15.5501 TIMING: 528000 CPU: 1646.06, 0.00314472/step Wall: 1646.06, 0.00314472/step, 3.90644 hours remaining, 233.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 528000 4032.5219 20404.4808 14408.7088 255.7738 -202925.3780 2766.1495 0.0000 0.0000 51982.0723 -109075.6709 298.7417 -161057.7431 -108717.9283 299.0104 -321.2818 -297.4971 763792.6689 -14.5495 -14.6137 PRESSURE: 528200 122.624 39.3456 279.903 39.3456 -98.9265 -175.087 279.903 -175.087 -137.918 GPRESSURE: 528200 196.229 143.519 316.811 -4.92244 -92.593 -133.039 190.105 -64.9764 -141.948 PRESSAVG: 528200 -2.6801 -43.4539 58.5754 -43.454 13.5947 -22.3949 58.5754 -22.395 27.5055 GPRESSAVG: 528200 -2.00225 -45.3137 56.2206 -42.8705 13.4759 -22.1828 59.8198 -22.466 26.7783 TIMING: 528200 CPU: 1646.68, 0.00313098/step Wall: 1646.68, 0.00313098/step, 3.8892 hours remaining, 233.535156 MB of memory in use. ENERGY: 528200 3995.3429 20582.5652 14431.9861 251.0147 -203263.2637 2807.0499 0.0000 0.0000 52040.3255 -109154.9794 299.0765 -161195.3049 -108792.2000 299.1575 -38.0736 -12.7708 764521.5985 12.8067 12.7506 LDB: ============= START OF LOAD BALANCING ============== 1659.16 LDB: ============== END OF LOAD BALANCING =============== 1659.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1659.16 LDB: ============= START OF LOAD BALANCING ============== 1659.47 LDB: Largest compute 7052 load 0.030067 is 15.4% of average load 0.194994 LDB: Average compute 0.004365 is 2.2% of average load 0.194994 LDB: TIME 1659.48 LOAD: AVG 0.194994 MAX 0.2166 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.816 MB LDB: TIME 1659.48 LOAD: AVG 0.194994 MAX 0.2166 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.816 MB LDB: TIME 1659.48 LOAD: AVG 0.194994 MAX 0.2166 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.816 MB LDB: ============== END OF LOAD BALANCING =============== 1659.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1659.48 PRESSURE: 528400 -227.236 14.0355 287.392 14.0356 63.375 -16.4 287.391 -16.4011 111.006 GPRESSURE: 528400 -158.577 67.0026 322.089 -41.959 94.2144 -49.3494 244.34 -35.4797 97.52 PRESSAVG: 528400 -26.7145 2.1574 -7.45669 2.15747 -38.8927 -16.8913 -7.45665 -16.8914 -12.1341 GPRESSAVG: 528400 -25.8829 2.84357 -6.82418 0.571163 -38.7379 -17.5506 -8.8088 -14.668 -11.8725 TIMING: 528400 CPU: 1647.32, 0.00318582/step Wall: 1647.32, 0.00318582/step, 3.95714 hours remaining, 233.531250 MB of memory in use. ENERGY: 528400 3918.3352 20611.4271 14332.3832 252.5673 -202874.5573 2719.6533 0.0000 0.0000 51713.3542 -109326.8370 297.1974 -161040.1912 -108955.5560 298.7298 -17.6185 11.0526 765527.8694 -25.9138 -25.4977 PRESSURE: 528600 -11.4595 136.56 30.6649 136.56 -316.489 211.591 30.6645 211.593 290.628 GPRESSURE: 528600 19.2448 97.0689 50.4366 101.836 -322.156 244.119 -31.2538 241.069 349.252 PRESSAVG: 528600 1.48651 -21.1529 15.2268 -21.1529 -6.21759 19.9153 15.2268 19.9153 31.087 GPRESSAVG: 528600 -0.0621006 -22.091 15.2964 -19.3916 -4.97532 19.2122 16.7731 19.641 31.1795 TIMING: 528600 CPU: 1647.94, 0.0031178/step Wall: 1647.94, 0.0031178/step, 3.87248 hours remaining, 233.531250 MB of memory in use. ENERGY: 528600 3950.6874 20448.7875 14366.2281 242.5255 -203015.9598 2857.6483 0.0000 0.0000 52010.3956 -109139.6874 298.9045 -161150.0829 -108784.5671 298.6387 -12.4402 15.4469 764549.9780 8.7853 8.7140 PRESSURE: 528800 108.47 -237.24 -216.226 -237.241 204.652 397.373 -216.227 397.374 467.334 GPRESSURE: 528800 110.957 -135.997 -93.2777 -164.386 361.064 319.971 -290.248 353.191 395.846 PRESSAVG: 528800 28.2883 -28.5645 -32.6164 -28.5645 -9.37744 44.6172 -32.6164 44.6172 5.3134 GPRESSAVG: 528800 30.2716 -27.8471 -31.6069 -27.4933 -10.6895 45.6638 -32.1753 44.0269 4.82942 TIMING: 528800 CPU: 1648.57, 0.00312066/step Wall: 1648.57, 0.00312066/step, 3.87586 hours remaining, 233.531250 MB of memory in use. ENERGY: 528800 3963.3082 20449.5924 14387.4291 239.6474 -203471.7388 3169.7633 0.0000 0.0000 52100.5882 -109161.4102 299.4228 -161261.9984 -108807.4939 298.8000 260.1519 289.2887 763180.3607 8.0747 8.1372 PRESSURE: 529000 -67.7879 -67.358 -67.9337 -67.358 -270.357 -55.1251 -67.9334 -55.1259 -143.89 GPRESSURE: 529000 -43.5381 -15.1696 -23.787 -95.9452 -183.214 -85.0896 -43.5899 -88.9427 -172.342 PRESSAVG: 529000 -74.8802 -78.7929 34.3317 -78.7929 48.3426 26.4391 34.3317 26.4391 -11.1041 GPRESSAVG: 529000 -76.46 -78.9833 34.0079 -77.9596 47.6871 27.5724 33.136 27.1481 -8.96726 TIMING: 529000 CPU: 1649.19, 0.00311387/step Wall: 1649.19, 0.00311387/step, 3.86725 hours remaining, 233.531250 MB of memory in use. ENERGY: 529000 4069.8385 20484.5412 14393.5329 247.5081 -203477.1935 2964.8794 0.0000 0.0000 52022.1609 -109294.7325 298.9721 -161316.8934 -108951.1465 298.5937 -160.6782 -133.0311 764130.2422 -12.5473 -12.5801 PRESSURE: 529200 -212.711 -31.8094 -183.28 -31.81 65.5319 -175.783 -183.278 -175.783 403.687 GPRESSURE: 529200 -148.261 -190.8 -143.671 -84.8783 103.258 -141.138 -221.814 -264.852 394.206 PRESSAVG: 529200 23.919 -29.9646 -26.4584 -29.9646 2.98635 -24.6756 -26.4584 -24.6756 10.8182 GPRESSAVG: 529200 23.9117 -31.9281 -25.6579 -28.927 3.35212 -25.1797 -24.9487 -24.0085 10.5683 TIMING: 529200 CPU: 1649.81, 0.00312255/step Wall: 1649.81, 0.00312255/step, 3.87786 hours remaining, 233.531250 MB of memory in use. ENERGY: 529200 3996.0893 20573.9981 14372.9935 240.6532 -203345.0214 2883.8251 0.0000 0.0000 52028.9910 -109248.4712 299.0113 -161277.4622 -108891.2434 299.2475 85.5025 116.4008 763152.4059 12.5745 12.6107 PRESSURE: 529400 39.6056 -79.7793 229.345 -79.7789 89.6657 -69.4767 229.345 -69.4777 -395.483 GPRESSURE: 529400 65.0825 -18.8339 127.993 -85.7371 77.2178 -81.9652 177.214 -173.885 -327.079 PRESSAVG: 529400 -39.9 -20.4139 19.0468 -20.4139 2.42159 -18.8346 19.0468 -18.8346 -18.1595 GPRESSAVG: 529400 -39.0936 -17.9782 19.0003 -23.1205 2.72311 -19.2424 18.7129 -20.0571 -19.1692 TIMING: 529400 CPU: 1650.44, 0.00313707/step Wall: 1650.44, 0.00313707/step, 3.89572 hours remaining, 233.531250 MB of memory in use. ENERGY: 529400 3960.2552 20448.9471 14384.6069 263.2995 -202840.1979 2720.2420 0.0000 0.0000 51796.9048 -109265.9423 297.6775 -161062.8471 -108913.8818 298.6652 -88.7372 -61.5930 762910.7234 -18.5460 -18.5132 PRESSURE: 529600 -152.133 27.6644 -225.895 27.664 -373.406 57.4379 -225.894 57.4376 -131.012 GPRESSURE: 529600 -85.4799 11.1535 -250.769 136.018 -398.57 -8.57647 -198.119 178.14 -96.8994 PRESSAVG: 529600 -17.4277 -16.3757 -21.7798 -16.3757 3.9948 -2.51681 -21.7797 -2.51679 -6.22027 GPRESSAVG: 529600 -17.1496 -17.1686 -23.7568 -15.3423 3.10276 -2.12546 -22.5955 -1.53105 -5.40895 TIMING: 529600 CPU: 1651.07, 0.00314103/step Wall: 1651.07, 0.00314103/step, 3.90046 hours remaining, 233.531250 MB of memory in use. ENERGY: 529600 3980.4845 20338.6275 14459.3700 240.2726 -202964.2250 2664.6986 0.0000 0.0000 52123.8347 -109156.9371 299.5564 -161280.7718 -108794.6447 298.7880 -218.8502 -193.6499 760939.5252 -6.5510 -6.4853 PRESSURE: 529800 -303.444 -152.271 247.212 -152.272 -425.607 84.7037 247.212 84.7029 -238.374 GPRESSURE: 529800 -359.847 -112.739 295.547 -88.9781 -365.267 -52.3338 158.278 -12.5813 -168.5 PRESSAVG: 529800 -20.6785 -7.83168 -17.2648 -7.83171 -23.0166 -14.1439 -17.2648 -14.1439 7.8105 GPRESSAVG: 529800 -21.1628 -8.49726 -17.3332 -7.20944 -21.2564 -15.4592 -17.6391 -14.2359 6.68419 TIMING: 529800 CPU: 1651.69, 0.0031218/step Wall: 1651.69, 0.0031218/step, 3.87641 hours remaining, 233.531250 MB of memory in use. ENERGY: 529800 3990.9507 20299.3353 14417.1447 250.7355 -202737.2104 2398.7429 0.0000 0.0000 52086.8682 -109293.4331 299.3439 -161380.3014 -108931.1772 298.8528 -322.4749 -297.8714 763631.4738 -11.9616 -11.9117 PRESSURE: 530000 -82.4389 92.6564 158.461 92.6562 -13.4426 418.599 158.461 418.598 -102.248 GPRESSURE: 530000 -19.9433 69.0499 154.503 11.3496 -23.1281 280.362 112.628 409.394 -71.5342 PRESSAVG: 530000 30.7289 51.2615 23.9062 51.2615 -33.4371 67.4952 23.9062 67.4952 -3.24502 GPRESSAVG: 530000 31.6943 50.2274 23.9104 51.3895 -33.7244 68.5121 23.5136 66.1856 -3.41124 TIMING: 530000 CPU: 1652.32, 0.00313224/step Wall: 1652.32, 0.00313224/step, 3.8892 hours remaining, 233.531250 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: 530000 3985.8765 20498.7857 14321.0807 250.7498 -203208.6892 2617.3436 0.0000 0.0000 52051.1742 -109483.6788 299.1388 -161534.8529 -109132.6615 298.6490 -66.0432 -38.2019 762359.1189 -1.9844 -1.8138 PRESSURE: 530200 -138.132 -5.80783 -9.4644 -5.80819 -97.3608 -393.677 -9.46424 -393.677 -494.534 GPRESSURE: 530200 -168.518 120.715 1.77567 82.4498 -23.0687 -378.282 -35.7144 -310.402 -445.996 PRESSAVG: 530200 35.637 -18.1891 -26.1665 -18.1891 -32.0901 -1.26155 -26.1666 -1.26157 11.9365 GPRESSAVG: 530200 35.0244 -16.1689 -26.687 -18.5084 -32.0441 -1.04054 -24.5814 0.131698 12.454 TIMING: 530200 CPU: 1652.94, 0.00311565/step Wall: 1652.94, 0.00311565/step, 3.86843 hours remaining, 233.531250 MB of memory in use. ENERGY: 530200 4073.4720 20465.4956 14360.9341 226.1259 -203012.4323 2608.3932 0.0000 0.0000 51895.9679 -109382.0437 298.2468 -161278.0115 -109024.5746 298.2737 -243.3420 -212.5277 764282.7100 5.1611 5.1447 PRESSURE: 530400 143.69 82.078 107.848 82.0783 7.94342 -97.2365 107.849 -97.2369 -25.2579 GPRESSURE: 530400 94.4093 80.7239 58.9787 19.714 18.7164 -28.323 151.756 -117.55 90.7441 PRESSAVG: 530400 16.2732 -14.0025 40.3133 -14.0025 -19.5132 6.59967 40.3132 6.5997 1.5072 GPRESSAVG: 530400 15.5925 -12.7239 41.104 -14.9073 -18.273 6.43396 39.3474 6.26164 1.4976 TIMING: 530400 CPU: 1653.56, 0.0031001/step Wall: 1653.56, 0.0031001/step, 3.84894 hours remaining, 233.531250 MB of memory in use. ENERGY: 530400 4039.0200 20529.3115 14403.3458 239.1426 -202963.4820 2527.9728 0.0000 0.0000 52042.8494 -109181.8400 299.0910 -161224.6894 -108824.0325 298.8014 42.1250 67.9566 762581.6663 -0.5776 -0.3943 PRESSURE: 530600 -39.4822 -138.512 -102.349 -138.512 -90.02 119.117 -102.349 119.117 -52.1854 GPRESSURE: 530600 -23.482 -220.784 -118.351 -108.538 -31.8371 177.936 -199.764 156.949 -66.4208 PRESSAVG: 530600 48.8627 -21.3512 -60.0287 -21.3512 -23.7451 32.6686 -60.0287 32.6685 -27.0467 GPRESSAVG: 530600 49.7941 -21.7129 -61.166 -21.906 -25.1211 31.9465 -60.8736 33.8446 -26.9691 TIMING: 530600 CPU: 1654.19, 0.00311258/step Wall: 1654.19, 0.00311258/step, 3.86426 hours remaining, 233.531250 MB of memory in use. ENERGY: 530600 4001.6687 20473.9900 14427.1218 259.5696 -203047.8469 2711.2736 0.0000 0.0000 52056.7610 -109117.4621 299.1709 -161174.2231 -108755.1674 299.1705 -60.5625 -40.5800 762037.3088 -0.6430 -0.7653 PRESSURE: 530800 94.5546 113.301 16.2895 113.301 -319.11 -14.5691 16.2886 -14.5683 -476.539 GPRESSURE: 530800 95.4637 80.8469 159.54 87.0031 -263.552 4.69182 -43.9625 -27.8639 -466.793 PRESSAVG: 530800 37.1241 2.77801 -28.3606 2.77802 -56.924 5.46676 -28.3605 5.46678 -11.013 GPRESSAVG: 530800 36.9293 0.196183 -25.8886 4.40419 -56.2941 5.96163 -27.8188 4.78698 -11.7032 TIMING: 530800 CPU: 1654.8, 0.00309424/step Wall: 1654.8, 0.00309424/step, 3.84133 hours remaining, 233.531250 MB of memory in use. ENERGY: 530800 4097.8652 20423.5548 14386.0629 247.5386 -203301.9440 2723.6559 0.0000 0.0000 51998.2860 -109424.9806 298.8349 -161423.2665 -109072.8261 299.3097 -233.6983 -211.6270 761486.4694 -10.2710 -10.3560 PRESSURE: 531000 -17.8027 187.614 131.35 187.614 211.669 -261.522 131.35 -261.521 -62.6897 GPRESSURE: 531000 46.3736 158.762 112.955 98.2295 233.876 -222.958 104.572 -129.602 -47.6393 PRESSAVG: 531000 39.7934 -45.1124 -28.9837 -45.1124 -21.5072 -8.16305 -28.9837 -8.16295 17.1704 GPRESSAVG: 531000 40.8006 -43.9153 -27.8511 -44.8281 -22.2206 -7.65055 -31.3965 -10.0154 16.7731 TIMING: 531000 CPU: 1655.42, 0.00310166/step Wall: 1655.42, 0.00310166/step, 3.85037 hours remaining, 233.531250 MB of memory in use. ENERGY: 531000 4015.7607 20540.8215 14382.5035 237.1384 -203312.9474 2830.3107 0.0000 0.0000 51995.2833 -109311.1293 298.8176 -161306.4126 -108954.7580 298.8938 43.7255 77.5369 760647.7338 11.8189 11.7844 PRESSURE: 531200 145.791 -158.705 -80.7254 -158.706 -176.188 43.4992 -80.7257 43.5004 -102.419 GPRESSURE: 531200 213.629 -124.57 -115.232 -156.866 -159.65 38.4218 8.68888 -68.0306 -90.493 PRESSAVG: 531200 22.4324 21.4211 -4.1042 21.4211 24.5211 -15.6918 -4.10425 -15.6918 0.904105 GPRESSAVG: 531200 21.5235 21.7954 -5.25418 18.6341 24.0666 -16.4939 -0.958261 -15.4657 2.17748 TIMING: 531200 CPU: 1656.05, 0.00310225/step Wall: 1656.05, 0.00310225/step, 3.85092 hours remaining, 233.531250 MB of memory in use. ENERGY: 531200 3986.1072 20679.8334 14363.5442 244.4458 -203353.3561 2839.3502 0.0000 0.0000 51955.1598 -109284.9155 298.5870 -161240.0753 -108926.3307 298.9069 -44.2722 -12.1716 761860.8280 15.9525 15.9225 PRESSURE: 531400 -99.3746 125.718 220.197 125.719 137.394 -53.7354 220.198 -53.7351 -5.56861 GPRESSURE: 531400 41.7886 231.875 285.932 175.983 101.432 -77.6643 72.2741 86.799 -28.4153 PRESSAVG: 531400 -11.5875 -36.4578 -14.2751 -36.4578 16.3213 30.9758 -14.2752 30.9758 -3.71726 GPRESSAVG: 531400 -11.0201 -37.4128 -15.1648 -35.2527 16.4959 30.2932 -17.4489 32.0251 -4.12556 TIMING: 531400 CPU: 1656.66, 0.00309615/step Wall: 1656.66, 0.00309615/step, 3.84319 hours remaining, 233.531250 MB of memory in use. ENERGY: 531400 3984.6748 20571.1458 14347.5437 251.3202 -203489.5852 3071.3169 0.0000 0.0000 51972.9225 -109290.6614 298.6891 -161263.5839 -108933.4382 298.9062 10.8171 38.2683 763125.4054 0.3389 0.4501 PRESSURE: 531600 -146.409 -117.122 -247.047 -117.121 -256.807 -23.4938 -247.047 -23.4943 416.026 GPRESSURE: 531600 -151.307 -98.2855 -277.814 -138.704 -159.614 5.05557 -161.332 22.9824 404.564 PRESSAVG: 531600 -11.5016 -33.5528 18.257 -33.5528 -6.26676 -22.2422 18.257 -22.2421 5.47953 GPRESSAVG: 531600 -11.9063 -32.3866 19.5251 -32.0183 -5.48825 -21.4926 19.774 -23.0828 5.53977 TIMING: 531600 CPU: 1657.29, 0.00311128/step Wall: 1657.29, 0.00311128/step, 3.86179 hours remaining, 233.531250 MB of memory in use. ENERGY: 531600 4144.1260 20510.1853 14421.7147 239.0408 -203474.7619 3063.0301 0.0000 0.0000 51854.8933 -109241.7717 298.0108 -161096.6650 -108886.8390 298.9299 4.2700 31.2144 763827.2300 -4.0963 -3.9516 PRESSURE: 531800 -478.979 -127.357 -198.391 -127.358 -371.127 17.8906 -198.391 17.8917 -247.026 GPRESSURE: 531800 -490.803 -16.108 -180.035 -78.2901 -248.478 -42.0396 -132.496 54.2509 -271.78 PRESSAVG: 531800 -15.1263 24.4792 -29.3589 24.4793 14.4519 19.5232 -29.3589 19.5231 28.4497 GPRESSAVG: 531800 -15.4744 24.4284 -30.1234 23.5972 14.3067 19.4646 -29.3563 17.2036 28.8474 TIMING: 531800 CPU: 1657.91, 0.00310844/step Wall: 1657.91, 0.00310844/step, 3.85809 hours remaining, 233.531250 MB of memory in use. ENERGY: 531800 4051.9604 20717.3998 14389.3551 214.4127 -203159.4605 2506.3323 0.0000 0.0000 52041.6089 -109238.3913 299.0838 -161280.0002 -108885.7767 299.4043 -365.7108 -337.0204 763939.4535 9.2585 9.2266 PRESSURE: 532000 -178.125 -19.8367 -124.365 -19.837 2.76731 118.734 -124.365 118.735 -282.381 GPRESSURE: 532000 -69.6062 -111.281 -134.561 -4.03296 -33.4806 73.9974 -186.004 156.981 -260.061 PRESSAVG: 532000 -8.82707 -24.7112 2.98851 -24.7113 59.0746 2.03834 2.98853 2.03838 1.42528 GPRESSAVG: 532000 -8.54357 -26.6137 2.76211 -26.7003 60.4286 1.07066 4.68765 5.10804 -0.15942 TIMING: 532000 CPU: 1658.54, 0.0031413/step Wall: 1658.54, 0.0031413/step, 3.8987 hours remaining, 233.531250 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: 532000 4029.7298 20636.4969 14419.3776 256.1013 -203359.1026 2936.0834 0.0000 0.0000 52021.1241 -109060.1894 298.9661 -161081.3136 -108705.9835 299.4547 -152.5797 -121.0494 763795.9688 17.2243 17.2419 PRESSURE: 532200 -11.362 -45.4566 266.167 -45.4562 -28.3583 -14.3029 266.168 -14.3039 175.65 GPRESSURE: 532200 0.478578 36.1983 319.447 -89.6653 10.4557 -96.9933 155.766 -18.9965 213.919 PRESSAVG: 532200 -1.67835 -8.14266 -29.2899 -8.14267 -6.98794 -15.8863 -29.29 -15.8863 24.0068 GPRESSAVG: 532200 -2.28468 -5.46394 -28.9744 -6.73427 -7.50326 -15.3277 -28.878 -17.2511 25.2768 TIMING: 532200 CPU: 1659.16, 0.0031296/step Wall: 1659.16, 0.0031296/step, 3.884 hours remaining, 233.531250 MB of memory in use. ENERGY: 532200 4036.9905 20732.6221 14349.9178 239.3793 -203371.0338 2890.2358 0.0000 0.0000 51961.7695 -109160.1187 298.6250 -161121.8882 -108804.3940 299.7621 45.3099 74.9512 764343.3089 5.1135 5.1629 LDB: ============= START OF LOAD BALANCING ============== 1671.64 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1671.64 LDB: =============== DONE WITH MIGRATION ================ 1671.64 LDB: ============= START OF LOAD BALANCING ============== 1671.95 LDB: Largest compute 7002 load 0.029629 is 15.2% of average load 0.194940 LDB: Average compute 0.004368 is 2.2% of average load 0.194940 LDB: TIME 1671.96 LOAD: AVG 0.19494 MAX 0.21367 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.555 MB LDB: TIME 1671.96 LOAD: AVG 0.19494 MAX 0.21367 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.555 MB LDB: TIME 1671.96 LOAD: AVG 0.19494 MAX 0.21367 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.555 MB LDB: ============== END OF LOAD BALANCING =============== 1671.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1671.96 PRESSURE: 532400 -393.502 -198.03 -81.1456 -198.03 -311.719 153.565 -81.146 153.565 -550.849 GPRESSURE: 532400 -366.132 -172.481 -103.694 -65.7151 -301.034 172.777 -93.7762 232.576 -528.945 PRESSAVG: 532400 -15.0096 -21.7594 26.7226 -21.7595 25.7428 50.4424 26.7225 50.4424 -17.836 GPRESSAVG: 532400 -13.6671 -22.5415 25.7247 -20.7824 25.1561 51.3495 25.1831 51.6135 -18.6847 TIMING: 532400 CPU: 1659.8, 0.00318194/step Wall: 1659.8, 0.00318194/step, 3.94879 hours remaining, 234.042969 MB of memory in use. ENERGY: 532400 3987.5431 20549.6784 14479.7057 237.9389 -203164.4760 2693.5986 0.0000 0.0000 52066.9304 -109149.0809 299.2294 -161216.0113 -108791.3036 298.9888 -418.6899 -398.7036 762613.5090 -2.3676 -2.3986 PRESSURE: 532600 -272.247 -63.5402 -77.167 -63.5401 -182.483 -102.937 -77.1671 -102.937 -173.643 GPRESSURE: 532600 -243.248 -71.7059 -85.3379 -34.9696 -175.172 -106.51 -65.6144 -90.4529 -143.344 PRESSAVG: 532600 -10.2817 -17.7568 1.136 -17.7568 20.7705 0.391492 1.13595 0.391546 -27.4029 GPRESSAVG: 532600 -10.3189 -17.7522 1.67312 -19.2642 18.8439 1.45837 1.82079 -0.412312 -25.2711 TIMING: 532600 CPU: 1660.42, 0.00309389/step Wall: 1660.42, 0.00309389/step, 3.83934 hours remaining, 234.246094 MB of memory in use. ENERGY: 532600 3985.1600 20493.9140 14378.8634 246.3304 -203206.8902 2734.1574 0.0000 0.0000 51937.2089 -109431.2561 298.4839 -161368.4650 -109067.7431 298.7168 -209.4576 -187.2547 762655.3653 -5.6380 -5.5821 PRESSURE: 532800 -480.423 -193.318 -77.4099 -193.317 -317.838 -8.45869 -77.4104 -8.45803 -334.943 GPRESSURE: 532800 -496.162 -103.037 -117.981 -245.581 -253.032 -5.45046 -69.2636 9.81815 -305.436 PRESSAVG: 532800 -10.3365 -14.8304 -33.6755 -14.8304 25.6322 5.25397 -33.6755 5.25393 1.93099 GPRESSAVG: 532800 -11.7942 -14.8313 -32.7637 -14.2745 27.9708 5.65231 -32.834 5.97696 1.0469 TIMING: 532800 CPU: 1661.04, 0.00310167/step Wall: 1661.04, 0.00310167/step, 3.84883 hours remaining, 234.246094 MB of memory in use. ENERGY: 532800 3983.8295 20606.9403 14435.4395 228.4590 -202916.6729 2609.5976 0.0000 0.0000 51549.6694 -109502.7376 296.2567 -161052.4070 -109147.3211 298.6547 -377.7345 -351.5437 764381.6834 5.7422 5.7412 PRESSURE: 533000 162.73 -81.8748 73.4662 -81.8754 292.887 -66.4139 73.4662 -66.4143 75.2529 GPRESSURE: 533000 197.052 -205.908 42.5671 -21.8601 298.476 -145.038 41.4625 0.718378 103.919 PRESSAVG: 533000 1.08617 -27.0556 -33.1208 -27.0556 30.563 62.0326 -33.1208 62.0327 17.0179 GPRESSAVG: 533000 2.17843 -26.337 -33.215 -27.0384 28.9443 60.9679 -34.1242 60.7526 17.1664 TIMING: 533000 CPU: 1661.66, 0.00310134/step Wall: 1661.66, 0.00310134/step, 3.84824 hours remaining, 234.246094 MB of memory in use. ENERGY: 533000 4012.2138 20493.8210 14472.1393 227.4599 -203039.4627 2742.6616 0.0000 0.0000 51773.0255 -109318.1415 297.5403 -161091.1671 -108971.7971 298.3123 176.9563 199.8158 762394.6742 16.2224 16.0964 PRESSURE: 533200 170.552 28.6385 37.8073 28.6389 8.56189 31.3994 37.8063 31.4002 -88.8499 GPRESSURE: 533200 169.036 3.95987 10.0073 -27.7962 79.9925 59.2167 11.9698 -14.7316 -69.8822 PRESSAVG: 533200 -16.048 -62.1338 -5.69308 -62.1339 35.4348 10.9696 -5.69311 10.9696 25.9938 GPRESSAVG: 533200 -16.4029 -63.2655 -5.65449 -60.2357 36.9282 10.1015 -5.41841 11.8588 25.0641 TIMING: 533200 CPU: 1662.29, 0.00313895/step Wall: 1662.29, 0.00313895/step, 3.89474 hours remaining, 234.246094 MB of memory in use. ENERGY: 533200 4083.6233 20407.4902 14478.1475 239.4969 -203425.6811 2821.1002 0.0000 0.0000 52075.5462 -109320.2769 299.2789 -161395.8231 -108955.4650 298.6972 30.0879 59.7156 761994.9745 15.1269 15.1965 PRESSURE: 533400 -16.895 -156.549 -76.835 -156.55 33.0279 -128.072 -76.8356 -128.072 83.2314 GPRESSURE: 533400 12.8211 -184.978 -46.6281 -37.4948 54.0674 -84.1964 -93.2214 -166.448 132.271 PRESSAVG: 533400 -1.66285 -22.4159 -37.87 -22.4158 15.6144 26.8161 -37.87 26.8159 -9.44406 GPRESSAVG: 533400 -0.888527 -23.6035 -38.4939 -23.047 15.6569 25.3748 -37.744 29.1078 -9.3636 TIMING: 533400 CPU: 1662.91, 0.00312198/step Wall: 1662.91, 0.00312198/step, 3.87351 hours remaining, 234.246094 MB of memory in use. ENERGY: 533400 3966.9953 20253.8323 14427.3406 244.7336 -203220.3823 2891.7398 0.0000 0.0000 51870.4965 -109565.2444 298.1005 -161435.7409 -109209.1855 298.2094 33.1215 66.3865 762917.3342 1.5025 1.8016 PRESSURE: 533600 -117.07 28.7789 -110.879 28.7784 -8.58861 -87.2665 -110.88 -87.2668 506.378 GPRESSURE: 533600 -66.9893 115.594 -74.874 -2.51643 87.3231 -99.92 -197.353 -28.34 433.169 PRESSAVG: 533600 -53.2232 -28.5233 5.76965 -28.5234 64.0306 37.5832 5.76962 37.5831 -18.5597 GPRESSAVG: 533600 -52.7228 -26.2305 6.07612 -28.5395 63.4687 38.1961 5.15916 34.7129 -18.432 TIMING: 533600 CPU: 1663.53, 0.00311944/step Wall: 1663.53, 0.00311944/step, 3.87019 hours remaining, 234.246094 MB of memory in use. ENERGY: 533600 3895.5991 20396.0527 14423.5611 235.2012 -203140.7504 2750.6935 0.0000 0.0000 51805.1796 -109634.4632 297.7251 -161439.6428 -109268.7251 297.9729 126.9063 151.1674 763062.2674 -2.5841 -2.5620 PRESSURE: 533800 402.868 -206.397 138.185 -206.397 182.363 -155.213 138.185 -155.213 -181.766 GPRESSURE: 533800 399.493 -198.441 55.8923 -166.024 266.764 -99.3181 196.793 -162.831 -196.169 PRESSAVG: 533800 36.5825 16.5291 -41.5985 16.529 -16.5339 1.26506 -41.5985 1.26503 -5.01175 GPRESSAVG: 533800 35.4249 16.7401 -41.9786 15.9421 -16.0528 2.85843 -41.058 0.392903 -3.93536 TIMING: 533800 CPU: 1664.16, 0.00311/step Wall: 1664.16, 0.00311/step, 3.8583 hours remaining, 234.246094 MB of memory in use. ENERGY: 533800 4004.5263 20396.7317 14390.2690 261.0635 -203772.2301 3159.0531 0.0000 0.0000 52223.4631 -109337.1233 300.1290 -161560.5865 -108967.3671 298.1178 134.4883 156.6959 762506.4251 5.0123 5.1456 PRESSURE: 534000 -43.2904 -69.7587 -10.6701 -69.7585 -385.016 166.181 -10.6692 166.181 -221.109 GPRESSURE: 534000 -20.8314 -81.0833 -32.3703 -1.77431 -277.623 151.321 -48.9191 155.308 -267.747 PRESSAVG: 534000 -32.7153 0.871831 -38.079 0.871855 55.4492 -31.8968 -38.079 -31.8968 -3.02854 GPRESSAVG: 534000 -31.8951 -1.80272 -40.0098 0.553427 55.5055 -33.4758 -37.1512 -29.7896 -3.77057 TIMING: 534000 CPU: 1664.78, 0.0031185/step Wall: 1664.78, 0.0031185/step, 3.86867 hours remaining, 234.246094 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: 534000 4033.0086 20404.8125 14415.9443 272.0422 -203213.5025 2820.5745 0.0000 0.0000 51989.9144 -109277.2061 298.7868 -161267.1204 -108917.0261 298.8675 -216.4720 -188.7338 763726.0818 6.5684 6.6133 PRESSURE: 534200 181.89 -79.0746 -40.9274 -79.0746 273.139 46.6062 -40.9276 46.6056 351.634 GPRESSURE: 534200 171.109 -101.859 -95.4612 14.5715 307.328 109.781 -50.5963 -45.6961 401.114 PRESSAVG: 534200 0.841791 -3.81881 -50.5141 -3.81881 26.0052 33.7185 -50.5141 33.7186 -1.70839 GPRESSAVG: 534200 0.953951 -3.55428 -49.5121 -2.15154 25.7989 32.997 -51.0535 32.1628 -1.07812 TIMING: 534200 CPU: 1665.4, 0.00311783/step Wall: 1665.4, 0.00311783/step, 3.86767 hours remaining, 234.246094 MB of memory in use. ENERGY: 534200 3988.0741 20509.4271 14486.4397 259.5288 -203803.2112 3198.0610 0.0000 0.0000 52184.7565 -109176.9241 299.9065 -161361.6806 -108822.8433 298.9494 268.8879 293.1833 762841.7334 8.3795 8.5582 PRESSURE: 534400 -259.127 -112.5 -151.355 -112.5 -272.983 5.417 -151.356 5.41647 -70.8935 GPRESSURE: 534400 -145.041 -93.514 -177.988 -76.8946 -259.71 -36.4848 -142.269 146.656 -108.051 PRESSAVG: 534400 18.4687 -14.3795 6.34747 -14.3796 -15.6267 16.6374 6.34748 16.6374 -0.952822 GPRESSAVG: 534400 18.6207 -13.0597 5.41576 -16.1778 -15.9391 17.6611 6.74286 18.3066 -1.86813 TIMING: 534400 CPU: 1666.03, 0.00312347/step Wall: 1666.03, 0.00312347/step, 3.8745 hours remaining, 234.246094 MB of memory in use. ENERGY: 534400 4014.0445 20368.9327 14407.1740 251.3225 -203137.2279 2955.1287 0.0000 0.0000 51896.9570 -109243.6685 298.2525 -161140.6255 -108885.6017 298.8836 -201.0012 -170.9340 765610.2738 0.6297 0.2711 PRESSURE: 534600 -41.8797 356.149 51.1041 356.149 69.5538 -315.758 51.104 -315.758 -493.5 GPRESSURE: 534600 -72.8559 229.821 95.5905 302.494 64.4309 -290.004 57.964 -314.76 -375.626 PRESSAVG: 534600 6.91763 15.8814 -20.7861 15.8813 -27.9774 13.0671 -20.7861 13.0671 6.61399 GPRESSAVG: 534600 5.22352 16.2824 -18.9316 14.9842 -27.2919 13.0795 -21.5097 13.8503 7.56587 TIMING: 534600 CPU: 1666.65, 0.00310374/step Wall: 1666.65, 0.00310374/step, 3.84984 hours remaining, 234.246094 MB of memory in use. ENERGY: 534600 3991.9979 20375.1835 14454.4158 250.3465 -203234.1404 2956.9930 0.0000 0.0000 52011.5404 -109193.6632 298.9110 -161205.2037 -108833.8319 298.4975 -155.2752 -128.0171 764462.4997 -4.8153 -4.8342 PRESSURE: 534800 22.4016 27.8861 149.316 27.8854 -101.966 157.629 149.315 157.63 -249.1 GPRESSURE: 534800 46.4727 154.204 118.99 63.551 -89.7756 139.093 97.2058 177.052 -204.402 PRESSAVG: 534800 -14.4746 -6.69318 -8.56932 -6.69317 -25.3034 51.0056 -8.56934 51.0056 4.26922 GPRESSAVG: 534800 -12.8247 -6.71214 -10.3062 -6.20028 -27.4175 51.0627 -6.99696 47.2612 4.38491 TIMING: 534800 CPU: 1667.27, 0.00311515/step Wall: 1667.27, 0.00311515/step, 3.86383 hours remaining, 234.246094 MB of memory in use. ENERGY: 534800 3945.0650 20593.1032 14406.5797 257.3473 -202976.9357 2842.4014 0.0000 0.0000 51826.2359 -109106.2032 297.8461 -160932.4391 -108744.7584 299.2086 -109.5548 -82.5681 765300.4986 -11.8363 -11.9525 PRESSURE: 535000 202.108 -54.968 117.038 -54.9686 238.936 -10.2482 117.039 -10.249 596.701 GPRESSURE: 535000 244.785 -2.64383 53.5891 -131.508 259.23 -27.497 127.389 -146.003 609.699 PRESSAVG: 535000 -38.4397 -57.9576 19.0062 -57.9576 51.6699 45.1489 19.0063 45.1489 7.64539 GPRESSAVG: 535000 -37.7942 -56.6745 18.6711 -59.5284 51.8831 44.5729 17.5205 47.939 6.54925 TIMING: 535000 CPU: 1667.9, 0.00312069/step Wall: 1667.9, 0.00312069/step, 3.87052 hours remaining, 234.246094 MB of memory in use. ENERGY: 535000 4009.6002 20483.1311 14385.6110 246.6640 -203282.2359 3035.5303 0.0000 0.0000 51893.4951 -109228.2042 298.2326 -161121.6993 -108872.0284 298.6516 345.9150 371.2383 762785.6899 6.9585 6.8794 PRESSURE: 535200 399.898 191.757 -25.7861 191.758 -160.18 227.123 -25.7849 227.123 101.415 GPRESSURE: 535200 380.758 134.71 74.2315 204.962 -70.5441 158.636 -95.1364 107.148 111.472 PRESSAVG: 535200 2.99974 -63.9211 -32.4029 -63.9212 19.3924 44.1526 -32.4029 44.1526 8.76723 GPRESSAVG: 535200 2.43727 -64.1954 -30.0707 -62.9675 20.3672 43.6856 -32.8279 44.337 8.67027 TIMING: 535200 CPU: 1668.53, 0.00314496/step Wall: 1668.53, 0.00314496/step, 3.90045 hours remaining, 234.246094 MB of memory in use. ENERGY: 535200 3968.6721 20525.0748 14440.4838 236.7429 -203047.6232 2932.2462 0.0000 0.0000 51856.5724 -109087.8311 298.0204 -160944.4034 -108729.8057 298.7049 113.7112 140.5619 764269.3638 10.3865 10.4916 PRESSURE: 535400 92.1558 -63.3729 -56.6698 -63.3721 289.95 80.6731 -56.6691 80.6733 -299.939 GPRESSURE: 535400 158.585 -79.9182 -186.552 -75.0916 322.982 39.7514 -74.0582 -33.488 -307.592 PRESSAVG: 535400 -21.9344 -27.1689 -53.8523 -27.1689 23.8249 27.4727 -53.8524 27.4727 -9.353 GPRESSAVG: 535400 -21.5317 -27.8609 -53.9134 -25.5679 23.0441 29.7397 -53.3646 26.9459 -8.97766 TIMING: 535400 CPU: 1669.15, 0.00311609/step Wall: 1669.15, 0.00311609/step, 3.86448 hours remaining, 234.246094 MB of memory in use. ENERGY: 535400 3970.5383 20393.1838 14464.9568 250.8299 -203721.3289 3263.0944 0.0000 0.0000 52147.4639 -109231.2618 299.6922 -161378.7256 -108880.2920 298.7067 27.3889 57.9919 762358.1416 -2.4875 -2.4884 PRESSURE: 535600 -108.015 0.878473 -157.399 0.878226 -27.5508 217.456 -157.4 217.455 335.332 GPRESSURE: 535600 7.60728 -82.3711 -147.473 -30.7497 -23.3295 188.518 -150.77 220.45 313.516 PRESSAVG: 535600 52.1931 15.7999 -23.9581 15.7999 3.65211 11.9306 -23.9581 11.9306 9.36365 GPRESSAVG: 535600 51.3808 14.8158 -24.926 13.8163 4.13798 11.2333 -25.8419 12.1588 9.99805 TIMING: 535600 CPU: 1669.77, 0.00311099/step Wall: 1669.77, 0.00311099/step, 3.85797 hours remaining, 234.246094 MB of memory in use. ENERGY: 535600 3989.8528 20433.5437 14415.4684 238.9257 -203287.1602 3041.5118 0.0000 0.0000 51870.8283 -109297.0295 298.1024 -161167.8578 -108936.7490 298.3968 66.5888 99.2646 763546.5966 21.7363 21.8389 PRESSURE: 535800 242.73 -126.777 59.0872 -126.776 310.734 21.3312 59.088 21.3303 275.094 GPRESSURE: 535800 304.342 -172.509 -105.238 -57.3083 270.092 71.6138 108.165 85.1104 351.989 PRESSAVG: 535800 -3.51875 41.7893 -77.185 41.7892 36.815 4.54558 -77.185 4.54554 10.2859 GPRESSAVG: 535800 -3.27204 43.5666 -76.6813 42.3677 36.7997 4.46413 -75.0613 5.6814 9.73534 TIMING: 535800 CPU: 1670.39, 0.00312009/step Wall: 1670.39, 0.00312009/step, 3.86908 hours remaining, 234.246094 MB of memory in use. ENERGY: 535800 3918.3132 20509.1949 14478.4317 229.4042 -203494.3853 3039.9958 0.0000 0.0000 51852.8951 -109466.1504 297.9993 -161319.0455 -109111.1116 298.4341 276.1860 308.8077 762836.4063 14.5274 14.4210 PRESSURE: 536000 144.707 -451.597 -100.826 -451.597 274.191 -105.708 -100.826 -105.709 234.927 GPRESSURE: 536000 203.364 -476.345 -177.261 -354.144 297.298 -25.0826 65.5296 -24.4712 254.768 PRESSAVG: 536000 -10.9034 -34.475 -71.1062 -34.4751 19.6379 8.70631 -71.1062 8.70632 -7.66679 GPRESSAVG: 536000 -10.0279 -35.5759 -70.6971 -34.0572 19.2569 8.69324 -70.7257 6.98148 -8.13465 TIMING: 536000 CPU: 1671.02, 0.00312104/step Wall: 1671.02, 0.00312104/step, 3.87009 hours remaining, 234.246094 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: 536000 3923.4858 20302.6395 14449.6734 254.9321 -203713.5689 3094.1207 0.0000 0.0000 52139.3847 -109549.3326 299.6458 -161688.7173 -109178.7024 298.4543 217.9418 251.8101 762003.5979 0.3559 0.3648 PRESSURE: 536200 -259.633 -19.836 162.51 -19.8372 -25.5672 86.6969 162.51 86.6963 280.966 GPRESSURE: 536200 -207.679 -62.4805 251.054 -36.7759 -11.7737 15.4164 171.26 72.1812 294.797 PRESSAVG: 536200 -22.7366 -37.9614 -43.2019 -37.9614 47.5931 -48.0477 -43.2019 -48.0477 -3.56728 GPRESSAVG: 536200 -23.243 -37.5347 -44.486 -36.318 47.4346 -46.9125 -42.1858 -47.2797 -2.61448 TIMING: 536200 CPU: 1671.65, 0.00314267/step Wall: 1671.65, 0.00314267/step, 3.89673 hours remaining, 234.246094 MB of memory in use. ENERGY: 536200 4001.4191 20570.1281 14483.4073 263.0688 -203168.6150 2594.7229 0.0000 0.0000 51670.3878 -109585.4810 296.9504 -161255.8688 -109229.2490 298.2193 -1.4112 25.1149 762696.0460 7.0964 7.1924 LDB: ============= START OF LOAD BALANCING ============== 1684.13 LDB: ============== END OF LOAD BALANCING =============== 1684.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1684.13 LDB: ============= START OF LOAD BALANCING ============== 1684.44 LDB: Largest compute 7052 load 0.028907 is 14.8% of average load 0.194880 LDB: Average compute 0.004376 is 2.2% of average load 0.194880 LDB: TIME 1684.45 LOAD: AVG 0.19488 MAX 0.215895 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.301 MB LDB: TIME 1684.45 LOAD: AVG 0.19488 MAX 0.215895 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.301 MB LDB: TIME 1684.45 LOAD: AVG 0.19488 MAX 0.215895 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.301 MB LDB: ============== END OF LOAD BALANCING =============== 1684.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1684.45 PRESSURE: 536400 -91.8786 -25.6327 28.8046 -25.6324 132.481 -107.035 28.8049 -107.035 24.6095 GPRESSURE: 536400 -74.051 28.3032 -21.2177 -164.059 177.069 -47.5248 -9.0312 -106.324 38.9168 PRESSAVG: 536400 -4.16537 -3.25332 -8.59896 -3.25332 10.6754 5.83753 -8.59895 5.83753 -9.81881 GPRESSAVG: 536400 -4.08787 -2.38685 -7.20837 -5.91365 11.3691 5.0655 -8.4297 4.90682 -11.0547 TIMING: 536400 CPU: 1672.29, 0.00320535/step Wall: 1672.29, 0.00320535/step, 3.97428 hours remaining, 234.492188 MB of memory in use. ENERGY: 536400 4043.6139 20379.8304 14562.7464 256.4519 -203622.3390 3194.4112 0.0000 0.0000 51851.6471 -109333.6381 297.9921 -161185.2852 -108970.0658 298.3688 21.7373 47.3118 762048.9914 -1.1029 -1.2578 PRESSURE: 536600 -595.949 105.717 -248.339 105.717 100.865 34.4281 -248.34 34.4298 -593.756 GPRESSURE: 536600 -581.157 28.8003 -305.844 75.352 88.0088 74.1053 -250.805 56.9323 -525.004 PRESSAVG: 536600 -78.4066 -29.1183 -41.4785 -29.1184 55.2379 31.3751 -41.4784 31.3751 -9.05135 GPRESSAVG: 536600 -79.548 -27.8198 -43.2637 -30.8525 55.2407 30.9203 -43.9852 33.0741 -7.92615 TIMING: 536600 CPU: 1672.92, 0.00314135/step Wall: 1672.92, 0.00314135/step, 3.89475 hours remaining, 234.492188 MB of memory in use. ENERGY: 536600 3970.1525 20495.0194 14597.7895 246.5267 -203237.8518 2696.1577 0.0000 0.0000 52127.9536 -109104.2523 299.5801 -161232.2059 -108744.3484 298.6866 -362.9467 -339.3839 765059.1114 -10.7400 -10.7445 PRESSURE: 536800 147.689 -77.5658 208.123 -77.5664 -37.3808 -10.1467 208.122 -10.1472 53.3566 GPRESSURE: 536800 150.385 -14.4706 120.513 23.7985 -10.3053 -57.5113 236.867 0.109065 73.7084 PRESSAVG: 536800 -15.0521 -9.49653 -9.81128 -9.4966 -3.51507 -29.2031 -9.81129 -29.2032 -8.81178 GPRESSAVG: 536800 -15.0646 -10.2586 -8.24183 -6.81132 -2.86944 -27.5449 -8.63892 -29.6336 -9.18703 TIMING: 536800 CPU: 1673.54, 0.003119/step Wall: 1673.54, 0.003119/step, 3.86687 hours remaining, 234.492188 MB of memory in use. ENERGY: 536800 3969.0407 20620.6711 14490.7358 257.7719 -203392.1208 2802.5597 0.0000 0.0000 52029.4707 -109221.8710 299.0141 -161251.3417 -108865.5193 299.0804 54.5549 71.2628 764379.3434 -9.1263 -9.0403 PRESSURE: 537000 -6.61044 -38.3709 227.299 -38.3711 -173.029 -312.643 227.299 -312.643 -157.404 GPRESSURE: 537000 66.8445 36.9845 343.488 13.1916 -159.795 -325.812 157.037 -197.377 -155.359 PRESSAVG: 537000 59.5547 0.931022 19.1271 0.930998 -26.2829 -11.0792 19.127 -11.0792 21.3758 GPRESSAVG: 537000 59.2862 -0.324637 19.5591 2.07142 -25.6595 -13.2233 19.842 -8.8334 20.9072 TIMING: 537000 CPU: 1674.16, 0.0031184/step Wall: 1674.16, 0.0031184/step, 3.86594 hours remaining, 234.492188 MB of memory in use. ENERGY: 537000 3971.2094 20425.0603 14481.7325 222.8328 -203170.9086 2789.5529 0.0000 0.0000 51945.7066 -109334.8141 298.5327 -161280.5207 -108965.8994 298.3093 -112.3478 -82.7699 762921.9137 18.2159 18.1780 PRESSURE: 537200 -202.619 181.76 -129.164 181.759 -68.497 -33.0782 -129.166 -33.0772 -175.231 GPRESSURE: 537200 -103.984 14.2129 -204.04 181.654 -7.46766 -33.9851 -15.3379 -94.1538 -239.57 PRESSAVG: 537200 -62.1862 -29.1887 -25.9982 -29.1886 21.6416 6.01981 -25.9982 6.01984 -23.4688 GPRESSAVG: 537200 -61.4321 -27.7109 -28.0867 -30.4759 21.0043 6.58798 -24.1733 3.49061 -23.4795 TIMING: 537200 CPU: 1674.79, 0.00311823/step Wall: 1674.79, 0.00311823/step, 3.86556 hours remaining, 234.492188 MB of memory in use. ENERGY: 537200 3991.8745 20459.9396 14441.4018 247.5794 -202900.7337 2605.3257 0.0000 0.0000 52060.1986 -109094.4141 299.1907 -161154.6127 -108732.4327 298.9535 -148.7820 -117.0073 765049.4590 -21.3378 -21.3024 PRESSURE: 537400 -169.896 -86.1879 -251.266 -86.1867 -173.268 -60.7576 -251.266 -60.7573 -153.296 GPRESSURE: 537400 -112.235 -113.771 -216.029 -53.1363 -178.381 -12.2484 -323.258 -20.4655 -118.938 PRESSAVG: 537400 -13.3406 -18.9461 -39.6474 -18.9461 13.2769 -18.8915 -39.6474 -18.8915 13.9626 GPRESSAVG: 537400 -12.5422 -20.7249 -36.7024 -17.2795 12.7917 -19.6422 -40.0475 -18.2969 14.0423 TIMING: 537400 CPU: 1675.41, 0.00312989/step Wall: 1675.41, 0.00312989/step, 3.87985 hours remaining, 234.492188 MB of memory in use. ENERGY: 537400 3977.9342 20421.8082 14515.1203 239.0953 -203220.8015 2906.6535 0.0000 0.0000 51936.9029 -109223.2871 298.4821 -161160.1900 -108857.8194 299.1372 -165.4865 -136.5177 765162.4219 4.6330 4.7639 PRESSURE: 537600 -253.008 -86.4349 15.5033 -86.434 -83.7535 -117.81 15.5033 -117.811 -65.0903 GPRESSURE: 537600 -243.816 -49.6739 -11.9704 -133.478 -26.347 -127.153 25.1352 -58.1683 -52.1372 PRESSAVG: 537600 8.87555 -12.6204 -21.9334 -12.6205 1.84479 -25.9474 -21.9334 -25.9474 -6.20833 GPRESSAVG: 537600 8.83678 -13.0056 -23.0548 -13.0653 1.25378 -26.6973 -25.8451 -24.7851 -5.61293 TIMING: 537600 CPU: 1676.04, 0.00312063/step Wall: 1676.04, 0.00312063/step, 3.8682 hours remaining, 234.492188 MB of memory in use. ENERGY: 537600 3948.5116 20433.0325 14500.8349 225.1537 -203145.9650 2825.8400 0.0000 0.0000 51898.0024 -109314.5899 298.2585 -161212.5923 -108950.8214 298.3915 -133.9504 -107.4334 764907.6892 1.5040 1.4925 PRESSURE: 537800 -254.935 39.6043 30.7943 39.6043 -49.4755 119.859 30.7944 119.858 -259.626 GPRESSURE: 537800 -222.113 -41.4703 17.6606 48.4835 -26.0522 165.067 192.131 190.984 -243.79 PRESSAVG: 537800 -21.428 -31.7184 6.12232 -31.7184 55.2917 67.3623 6.12236 67.3622 -26.3563 GPRESSAVG: 537800 -22.196 -31.4119 4.78168 -31.1704 55.8332 68.6855 8.70981 64.5183 -26.4655 TIMING: 537800 CPU: 1676.66, 0.00311933/step Wall: 1676.66, 0.00311933/step, 3.86641 hours remaining, 234.492188 MB of memory in use. ENERGY: 537800 3996.3859 20477.6683 14498.7410 242.7161 -203141.7602 2723.2880 0.0000 0.0000 51864.8551 -109338.1057 298.0680 -161202.9608 -108982.7134 298.2116 -188.0121 -163.9853 763795.9282 2.5025 2.3905 PRESSURE: 538000 -106.063 -17.2768 23.0148 -17.2772 270.869 48.5658 23.0143 48.5666 -12.4754 GPRESSURE: 538000 -20.4817 -35.3327 -19.1589 -35.6569 272.039 79.9197 45.212 36.6954 -22.4471 PRESSAVG: 538000 -31.8132 35.4259 5.64866 35.4259 70.5011 74.8405 5.64862 74.8405 7.15052 GPRESSAVG: 538000 -31.2205 36.8162 6.39475 34.3642 71.4796 75.8407 5.0352 77.0974 5.67569 TIMING: 538000 CPU: 1677.29, 0.00311879/step Wall: 1677.29, 0.00311879/step, 3.86557 hours remaining, 234.492188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 538000 3908.9821 20346.7703 14488.2807 251.9814 -203254.3370 2835.5013 0.0000 0.0000 52053.1526 -109369.6687 299.1502 -161422.8213 -109007.1469 298.2037 50.7767 76.3701 762619.3924 15.2795 15.3116 PRESSURE: 538200 -177.886 -70.2009 122.167 -70.2014 391.043 -60.7158 122.166 -60.7157 324.955 GPRESSURE: 538200 -91.5485 -136.913 190.866 -33.9494 393.831 -163.163 68.1948 -206.389 322.725 PRESSAVG: 538200 -72.631 -29.649 32.8491 -29.6491 69.7633 6.53217 32.849 6.53218 -5.67428 GPRESSAVG: 538200 -71.5294 -30.414 35.1453 -29.4098 67.6401 4.0358 32.0852 4.42352 -4.65413 TIMING: 538200 CPU: 1677.91, 0.0031253/step Wall: 1677.91, 0.0031253/step, 3.87346 hours remaining, 234.492188 MB of memory in use. ENERGY: 538200 3960.3939 20324.9665 14531.5443 263.5418 -203144.2853 2961.3239 0.0000 0.0000 51747.4738 -109355.0411 297.3934 -161102.5149 -108997.9696 298.2810 179.3708 208.3359 763762.8235 -2.8473 -2.8478 PRESSURE: 538400 -89.0971 -63.3884 -41.0149 -63.3888 -192.391 -143.804 -41.0146 -143.805 62.9912 GPRESSURE: 538400 -9.49237 47.3923 -93.0972 -43.4763 -193.643 -121.345 -72.9001 -131.472 65.1021 PRESSAVG: 538400 -73.5347 -20.5659 -27.1617 -20.566 79.4364 39.5817 -27.1617 39.5817 2.07835 GPRESSAVG: 538400 -73.9557 -21.7729 -29.1077 -20.6543 80.7364 42.3093 -27.5002 41.9383 1.63709 TIMING: 538400 CPU: 1678.53, 0.00311201/step Wall: 1678.53, 0.00311201/step, 3.85682 hours remaining, 234.492188 MB of memory in use. ENERGY: 538400 3899.1601 20525.0145 14446.9256 261.1048 -203003.7971 2559.9973 0.0000 0.0000 51919.2885 -109392.3063 298.3809 -161311.5948 -109037.0621 298.0841 -72.8322 -46.0111 762798.2148 2.6600 2.8059 PRESSURE: 538600 -172.558 81.9527 -63.3744 81.954 -92.0038 -125.164 -63.3747 -125.164 -123.461 GPRESSURE: 538600 -98.0708 42.9763 -34.2681 90.4023 -148.089 -34.5857 -47.6761 -216.856 -61.5675 PRESSAVG: 538600 -1.03431 15.8021 -34.0655 15.802 4.81438 -25.4134 -34.0655 -25.4134 18.4259 GPRESSAVG: 538600 -1.66075 18.096 -34.5827 14.2488 3.37753 -25.9723 -31.839 -25.0877 20.023 TIMING: 538600 CPU: 1679.16, 0.00311304/step Wall: 1679.16, 0.00311304/step, 3.85792 hours remaining, 234.492188 MB of memory in use. ENERGY: 538600 4038.7635 20594.1934 14491.6413 236.6949 -203391.4865 2859.2554 0.0000 0.0000 51838.5737 -109332.3643 297.9170 -161170.9380 -108980.7354 298.5592 -129.3410 -102.5757 762820.1232 7.4020 7.2466 PRESSURE: 538800 -8.54094 58.9593 -85.9459 58.9592 287.989 -9.78111 -85.9451 -9.78174 152.454 GPRESSURE: 538800 56.1528 47.7439 -23.4497 61.6242 344.259 -86.0265 -62.5952 85.2528 125.172 PRESSAVG: 538800 -45.7897 -10.9126 47.8201 -10.9126 36.4046 -12.7798 47.8201 -12.7799 -0.686652 GPRESSAVG: 538800 -46.1288 -14.4223 49.7606 -7.71532 37.3508 -13.3062 46.4946 -12.4725 -1.49271 TIMING: 538800 CPU: 1679.78, 0.003112/step Wall: 1679.78, 0.003112/step, 3.85646 hours remaining, 234.492188 MB of memory in use. ENERGY: 538800 3959.4782 20334.5779 14486.0074 250.4698 -203523.1262 3041.5974 0.0000 0.0000 52106.5971 -109344.3984 299.4573 -161450.9955 -108972.8243 298.8983 143.9675 175.1948 764302.9808 -3.3573 -3.4235 PRESSURE: 539000 -459.325 80.0518 134.014 80.0529 -51.6171 -173.406 134.013 -173.406 -1.42118 GPRESSURE: 539000 -403.296 -58.3528 106.041 138.565 -108.282 -210.426 133.036 -182.752 98.4011 PRESSAVG: 539000 -3.02031 44.4584 -22.7118 44.4584 38.0074 22.2334 -22.7118 22.2334 19.8281 GPRESSAVG: 539000 -3.29585 46.8691 -23.7781 42.2293 38.5367 22.1651 -21.6944 21.5971 19.4202 TIMING: 539000 CPU: 1680.4, 0.00313003/step Wall: 1680.4, 0.00313003/step, 3.87863 hours remaining, 234.492188 MB of memory in use. ENERGY: 539000 4048.2600 20447.7018 14429.5249 229.3758 -203311.5219 2771.9148 0.0000 0.0000 51891.5787 -109493.1660 298.2216 -161384.7447 -109141.7506 298.3159 -170.7876 -137.7254 765177.2014 18.2717 18.2204 PRESSURE: 539200 -52.2476 -206.935 -46.0166 -206.935 -123.4 21.1246 -46.0166 21.125 -190.521 GPRESSURE: 539200 91.1823 -138.339 -103.757 -237.413 -187.882 -32.1252 -159.174 178.54 -196.72 PRESSAVG: 539200 -17.7521 -3.01442 16.176 -3.01436 -18.5048 -7.3051 16.176 -7.30503 -7.2824 GPRESSAVG: 539200 -17.7282 -3.5479 14.7497 -1.94018 -18.413 -8.39768 15.7576 -5.5439 -7.39755 TIMING: 539200 CPU: 1681.03, 0.00312308/step Wall: 1681.03, 0.00312308/step, 3.86984 hours remaining, 234.492188 MB of memory in use. ENERGY: 539200 4007.3345 20555.0829 14456.6929 241.0087 -203474.8871 2929.2995 0.0000 0.0000 51830.3970 -109455.0715 297.8700 -161285.4686 -109101.7740 298.3257 -122.0563 -97.8066 762776.8255 -14.5131 -14.5129 PRESSURE: 539400 162.715 28.1758 155.769 28.1753 -90.8794 -124.948 155.769 -124.948 -225.826 GPRESSURE: 539400 192.578 43.793 179.084 42.1148 -86.0939 -120.271 330.363 44.7127 -171.459 PRESSAVG: 539400 -53.7588 13.3818 4.91525 13.3817 55.3126 -35.6779 4.91519 -35.6779 -16.0888 GPRESSAVG: 539400 -52.3 12.3587 6.27878 13.8487 53.5484 -34.4255 5.71955 -35.7829 -15.4624 TIMING: 539400 CPU: 1681.66, 0.00313197/step Wall: 1681.66, 0.00313197/step, 3.88068 hours remaining, 234.492188 MB of memory in use. ENERGY: 539400 4083.0754 20387.0754 14471.5960 260.8583 -203214.7492 2887.4596 0.0000 0.0000 51753.9222 -109370.7622 297.4305 -161124.6844 -109000.2110 298.5969 -51.3302 -21.6583 762236.0542 -4.8450 -4.7380 PRESSURE: 539600 165.331 230.512 -141.837 230.511 -61.6148 -63.0052 -141.837 -63.006 112.373 GPRESSURE: 539600 71.1069 215.584 -13.8454 304.385 61.1824 -69.9009 -82.5621 -100.246 141.314 PRESSAVG: 539600 -78.9033 52.9654 -9.54385 52.9654 43.0092 -54.0984 -9.54387 -54.0984 0.66441 GPRESSAVG: 539600 -79.1885 56.0663 -8.18612 54.1358 43.6961 -55.2177 -10.9745 -54.8302 0.168927 TIMING: 539600 CPU: 1682.28, 0.00312434/step Wall: 1682.28, 0.00312434/step, 3.87106 hours remaining, 234.492188 MB of memory in use. ENERGY: 539600 4046.3821 20580.0038 14506.1084 233.7686 -203608.1498 3013.1669 0.0000 0.0000 52015.6873 -109213.0328 298.9349 -161228.7201 -108856.9639 298.9594 72.0298 91.2012 762097.6751 -11.7432 -11.7745 PRESSURE: 539800 -51.9372 -267.026 -149.33 -267.027 236.089 164.05 -149.332 164.051 -166.066 GPRESSURE: 539800 3.47393 -262.152 -152.749 -226.595 255.491 236.051 -184.764 184.347 -134.707 PRESSAVG: 539800 -97.8419 -37.5439 -8.67214 -37.5439 71.3983 0.689046 -8.67224 0.689028 11.0887 GPRESSAVG: 539800 -98.855 -38.8169 -8.83249 -38.7244 71.9572 1.54052 -7.78917 -0.0157403 11.2657 TIMING: 539800 CPU: 1682.91, 0.00312798/step Wall: 1682.91, 0.00312798/step, 3.87539 hours remaining, 234.492188 MB of memory in use. ENERGY: 539800 3994.2495 20596.9510 14437.5108 243.6598 -203432.7754 3010.2998 0.0000 0.0000 52201.9042 -108948.2002 300.0051 -161150.1044 -108576.8523 299.2824 6.0287 41.4193 763547.0524 -5.1183 -5.2107 PRESSURE: 540000 -296.084 -131.543 171.003 -131.542 -52.8666 27.3098 171.001 27.3092 -177.692 GPRESSURE: 540000 -236.702 -180.266 171.29 -195.293 -18.7372 10.4814 130.967 53.6695 -180.664 PRESSAVG: 540000 31.3567 46.2758 -3.68035 46.2758 -17.5392 5.38072 -3.68032 5.38064 6.06329 GPRESSAVG: 540000 31.9204 45.3533 -5.36141 46.1189 -17.2406 4.9583 -4.99036 5.09322 5.66549 TIMING: 540000 CPU: 1683.53, 0.00312314/step Wall: 1683.53, 0.00312314/step, 3.86923 hours remaining, 234.492188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 540000 3914.8480 20454.6777 14585.1264 250.3215 -203231.4776 2755.0569 0.0000 0.0000 52263.9198 -109007.5273 300.3615 -161271.4471 -108636.0668 299.3145 -175.5478 -145.3679 765032.1908 6.6270 6.7818 PRESSURE: 540200 -399.315 -125.01 42.9386 -125.01 -220.1 -74.2754 42.9391 -74.2759 -157.201 GPRESSURE: 540200 -377.026 -148.991 48.8645 -61.4593 -162.929 -111.883 172.703 -96.766 -149.911 PRESSAVG: 540200 35.0027 19.8581 -7.68354 19.858 26.7675 0.590716 -7.68356 0.590667 -4.23061 GPRESSAVG: 540200 35.0714 20.3385 -6.61072 20.5398 26.9582 0.800143 -7.23187 -1.01772 -4.24653 TIMING: 540200 CPU: 1684.15, 0.0031237/step Wall: 1684.15, 0.0031237/step, 3.86974 hours remaining, 234.492188 MB of memory in use. ENERGY: 540200 3974.6633 20639.7171 14431.6374 237.6885 -203022.0587 2586.7834 0.0000 0.0000 52002.0839 -109149.4850 298.8567 -161151.5689 -108785.1160 299.2449 -258.8720 -229.9553 765296.0225 19.1799 19.2610 LDB: ============= START OF LOAD BALANCING ============== 1696.63 LDB: ============== END OF LOAD BALANCING =============== 1696.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1696.63 LDB: ============= START OF LOAD BALANCING ============== 1696.94 LDB: Largest compute 7052 load 0.030470 is 15.6% of average load 0.194980 LDB: Average compute 0.004372 is 2.2% of average load 0.194980 LDB: TIME 1696.95 LOAD: AVG 0.19498 MAX 0.214548 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.293 MB LDB: TIME 1696.95 LOAD: AVG 0.19498 MAX 0.214548 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.492 MB LDB: TIME 1696.95 LOAD: AVG 0.19498 MAX 0.214548 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.492 MB LDB: ============== END OF LOAD BALANCING =============== 1696.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1696.95 PRESSURE: 540400 158.979 37.3463 84.2405 37.3463 -207.296 34.1575 84.2397 34.1585 -223.235 GPRESSURE: 540400 78.0178 144.5 95.5453 -44.9008 -122.742 118.458 45.9043 -36.9349 -144.781 PRESSAVG: 540400 -13.3902 -20.8166 70.2247 -20.8166 25.3699 -72.5644 70.2247 -72.5644 26.0411 GPRESSAVG: 540400 -14.3801 -19.2691 69.6349 -21.5727 24.8184 -72.1622 72.9486 -70.2055 26.9832 TIMING: 540400 CPU: 1684.79, 0.00317129/step Wall: 1684.79, 0.00317128/step, 3.92852 hours remaining, 234.101562 MB of memory in use. ENERGY: 540400 4103.2436 20489.9774 14448.8915 263.8080 -202971.2362 2627.2805 0.0000 0.0000 52129.1168 -108908.9185 299.5868 -161038.0353 -108544.1885 299.1143 -90.5174 -63.1683 762312.1447 12.6736 12.4739 PRESSURE: 540600 147.542 -106.663 -153.042 -106.663 318.62 159.99 -153.042 159.99 -243.801 GPRESSURE: 540600 159.819 -38.8953 -103.815 -87.2973 275.976 137.82 -63.0912 221.322 -124.32 PRESSAVG: 540600 -8.69145 -49.5773 -9.4852 -49.5773 -21.5372 26.9067 -9.48515 26.9067 11.3732 GPRESSAVG: 540600 -7.99841 -50.305 -7.80574 -48.974 -21.3979 25.4339 -12.3022 26.63 10.318 TIMING: 540600 CPU: 1685.41, 0.00310737/step Wall: 1685.41, 0.00310737/step, 3.84917 hours remaining, 234.101562 MB of memory in use. ENERGY: 540600 3958.0034 20485.7335 14459.9169 269.2223 -203264.5599 2987.5537 0.0000 0.0000 52444.1144 -108660.0157 301.3970 -161104.1301 -108305.9826 300.0982 74.1202 103.8249 764590.4606 -6.2851 -6.3594 PRESSURE: 540800 242.253 188.515 -96.606 188.516 -253.189 87.5911 -96.6059 87.5918 -263.573 GPRESSURE: 540800 244.396 180.535 -122.462 104.179 -147.796 123.655 -92.606 75.5891 -259.15 PRESSAVG: 540800 -14.8959 -39.2932 -40.1468 -39.2932 6.60762 33.7401 -40.1468 33.7402 11.7852 GPRESSAVG: 540800 -14.8615 -41.6528 -39.4851 -38.9475 6.31555 34.0985 -39.5406 35.5404 12.4771 TIMING: 540800 CPU: 1686.04, 0.00314693/step Wall: 1686.04, 0.00314693/step, 3.89799 hours remaining, 234.101562 MB of memory in use. ENERGY: 540800 3959.2868 20617.4027 14434.3172 254.8393 -202859.2954 2723.5077 0.0000 0.0000 52116.1624 -108753.7793 299.5123 -160869.9417 -108391.4515 300.1686 -91.5028 -54.1837 762969.8918 1.1657 1.3104 PRESSURE: 541000 -137.456 105.101 -251.44 105.101 490.716 -121.878 -251.439 -121.877 497.846 GPRESSURE: 541000 -108.246 133.025 -303.108 284.369 573.09 -119.109 -193.794 -96.6314 464.873 PRESSAVG: 541000 5.71618 -27.3037 -3.61497 -27.3036 21.1676 -9.63101 -3.61494 -9.63103 -0.664391 GPRESSAVG: 541000 4.76849 -27.3286 -4.41297 -28.168 20.9483 -7.25937 -3.90224 -13.5816 0.0634467 TIMING: 541000 CPU: 1686.67, 0.00313583/step Wall: 1686.67, 0.00313583/step, 3.88408 hours remaining, 234.101562 MB of memory in use. ENERGY: 541000 4007.7541 20678.7170 14440.4308 222.9766 -203120.8941 2923.5444 0.0000 0.0000 52167.6438 -108679.8274 299.8082 -160847.4711 -108323.8013 300.0447 283.7019 309.9058 762070.9482 8.7398 8.5934 PRESSURE: 541200 -297.725 -83.7121 -65.4584 -83.7129 -220.477 -24.8265 -65.4582 -24.8258 -226.82 GPRESSURE: 541200 -259.4 -9.7015 -130.339 -3.72818 -205.739 2.50075 -111.833 67.8579 -193.317 PRESSAVG: 541200 -21.8721 31.2194 42.0192 31.2194 58.3332 11.8957 42.0192 11.8958 -14.7198 GPRESSAVG: 541200 -21.8664 33.35 41.7004 30.1647 58.8333 9.72012 43.9402 15.0036 -14.8098 TIMING: 541200 CPU: 1687.29, 0.00313016/step Wall: 1687.29, 0.00313016/step, 3.87687 hours remaining, 234.101562 MB of memory in use. ENERGY: 541200 3965.1944 20681.8315 14442.7391 250.7989 -202647.7259 2624.4479 0.0000 0.0000 52164.0357 -108518.6784 299.7874 -160682.7141 -108149.3420 300.2042 -248.3408 -219.4855 764718.4067 7.2471 7.3857 PRESSURE: 541400 66.1554 151.116 118.547 151.115 -11.053 113.198 118.548 113.199 -159.863 GPRESSURE: 541400 123.795 158.895 24.5095 71.3368 64.2203 161.557 149.819 -18.4793 -198.195 PRESSAVG: 541400 -14.5213 -52.3682 -29.4304 -52.3682 -19.1007 -34.0012 -29.4304 -34.0012 -2.20424 GPRESSAVG: 541400 -13.9579 -53.5975 -31.3837 -51.2641 -19.8006 -31.9782 -32.4716 -36.9246 -2.27494 TIMING: 541400 CPU: 1687.91, 0.00309981/step Wall: 1687.91, 0.00309981/step, 3.83912 hours remaining, 234.101562 MB of memory in use. ENERGY: 541400 4115.5095 20591.1045 14429.8543 235.2587 -203037.9560 2966.9809 0.0000 0.0000 52164.1902 -108535.0580 299.7883 -160699.2482 -108169.0960 300.4843 -34.9203 -3.3931 765418.2784 -11.9421 -12.0111 PRESSURE: 541600 -137.927 -54.5418 90.5988 -54.5427 -420.174 -280.109 90.599 -280.109 -278.264 GPRESSURE: 541600 -192.387 -29.6666 126.814 -52.1209 -241.222 -365.908 74.5565 -215.778 -309.486 PRESSAVG: 541600 14.6587 41.6221 57.2622 41.6221 -19.4604 -60.3758 57.2621 -60.3759 -1.45579 GPRESSAVG: 541600 14.1441 41.9127 57.6223 43.545 -19.2085 -62.6326 59.7473 -58.6959 -2.2067 TIMING: 541600 CPU: 1688.53, 0.00310829/step Wall: 1688.53, 0.0031083/step, 3.84945 hours remaining, 234.101562 MB of memory in use. ENERGY: 541600 4006.8088 20682.8095 14396.2915 256.3179 -202754.5603 2691.6128 0.0000 0.0000 52043.1192 -108677.6006 299.0925 -160720.7198 -108316.7584 299.9434 -278.7885 -247.6982 765400.7152 -2.0858 -2.4237 PRESSURE: 541800 -158.673 -79.2524 -90.5249 -79.252 -210.621 227.978 -90.5248 227.979 -247.645 GPRESSURE: 541800 -195.919 -69.6408 -153.694 -70.9742 -219.933 207.58 10.0957 184 -107.559 PRESSAVG: 541800 17.5681 4.69651 15.9884 4.6965 11.6977 -16.8238 15.9883 -16.8238 4.09785 GPRESSAVG: 541800 17.0732 5.04427 15.2635 2.57377 11.3732 -15.6408 14.7391 -17.4876 4.51062 TIMING: 541800 CPU: 1689.16, 0.00311718/step Wall: 1689.16, 0.00311718/step, 3.86028 hours remaining, 234.101562 MB of memory in use. ENERGY: 541800 4031.4670 20642.3240 14476.7145 245.1508 -203301.2639 3007.8790 0.0000 0.0000 52222.2819 -108675.4468 300.1222 -160897.7287 -108319.6723 299.9510 -205.6463 -174.4703 765401.1884 11.1212 10.9857 PRESSURE: 542000 95.0611 -75.0669 96.2004 -75.0669 238.387 49.8432 96.2014 49.8425 -220.816 GPRESSURE: 542000 50.7235 -90.3437 1.85024 -129.693 291.197 12.3974 137.547 135.978 -158.489 PRESSAVG: 542000 31.6155 26.3016 -10.4029 26.3016 12.4528 31.3235 -10.4029 31.3235 12.1128 GPRESSAVG: 542000 32.1518 24.5536 -9.50105 26.5718 13.1254 31.9871 -11.3714 32.6255 11.1616 TIMING: 542000 CPU: 1689.78, 0.0031123/step Wall: 1689.78, 0.00311231/step, 3.85407 hours remaining, 234.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 542000 4006.5401 20606.1787 14365.3751 269.6084 -202929.9774 2742.6304 0.0000 0.0000 52167.3586 -108772.2860 299.8065 -160939.6446 -108413.7847 299.6712 37.5438 61.1438 764031.5295 18.7270 18.8129 PRESSURE: 542200 -53.0132 80.5976 -12.6646 80.5983 -140.332 -239.348 -12.6659 -239.348 152.749 GPRESSURE: 542200 13.4031 119.585 15.9337 42.2467 -201.031 -179.77 22.7793 -271.327 212.799 PRESSAVG: 542200 -22.5278 -0.312322 9.00168 -0.312339 77.919 7.53847 9.00167 7.53845 12.3666 GPRESSAVG: 542200 -22.7635 -0.156269 8.65196 0.3559 78.2471 6.97833 9.79815 8.02906 11.7995 TIMING: 542200 CPU: 1690.41, 0.00313019/step Wall: 1690.41, 0.00313019/step, 3.87605 hours remaining, 234.101562 MB of memory in use. ENERGY: 542200 4059.1573 20523.0176 14440.3885 251.0316 -203500.0989 3056.5318 0.0000 0.0000 52328.2416 -108841.7304 300.7311 -161169.9721 -108475.9513 299.6979 -13.5322 8.3902 764288.3518 22.5859 22.4277 PRESSURE: 542400 36.8029 -164.752 193.19 -164.752 -33.6422 247.321 193.189 247.321 -104.421 GPRESSURE: 542400 -32.2203 -158.432 169.13 -140.721 102.689 261.274 -22.3141 257.387 -109.176 PRESSAVG: 542400 26.2751 48.5272 -13.501 48.5271 -32.19 20.6272 -13.501 20.6272 8.28574 GPRESSAVG: 542400 26.0617 48.6457 -14.6509 48.4651 -33.6962 19.8764 -13.5464 18.2155 9.81133 TIMING: 542400 CPU: 1691.03, 0.00312944/step Wall: 1691.03, 0.00312944/step, 3.87494 hours remaining, 234.101562 MB of memory in use. ENERGY: 542400 3977.8046 20443.1366 14413.3941 240.8801 -203300.1125 2941.0339 0.0000 0.0000 52150.0972 -109133.7660 299.7073 -161283.8632 -108759.6784 299.0085 -33.7535 -12.9024 762428.6959 0.7903 0.7256 PRESSURE: 542600 -99.0314 118.464 -161.654 118.465 176.711 -141.271 -161.654 -141.271 -137.224 GPRESSURE: 542600 -44.9544 95.2471 -182.369 93.9633 171.166 -228.689 -252.036 74.0409 -124.292 PRESSAVG: 542600 -29.9893 17.4681 -18.3289 17.4681 15.265 4.8008 -18.3289 4.80086 16.0671 GPRESSAVG: 542600 -29.1759 17.6084 -18.7704 18.3905 14.4178 6.05711 -16.8856 5.7826 16.3876 TIMING: 542600 CPU: 1691.66, 0.00312249/step Wall: 1691.66, 0.00312249/step, 3.86617 hours remaining, 234.101562 MB of memory in use. ENERGY: 542600 3952.6826 20542.2196 14421.0221 237.5917 -202718.0413 2684.3500 0.0000 0.0000 51820.6831 -109059.4920 297.8142 -160880.1751 -108691.6057 299.3408 -19.8478 0.6399 763611.9054 0.4476 0.5432 PRESSURE: 542800 344.839 142.969 -336.998 142.97 256.997 -337.475 -336.999 -337.475 14.8946 GPRESSURE: 542800 372.764 229.707 -236.784 165.062 340.716 -253.846 -317.916 -316.378 -4.0266 PRESSAVG: 542800 -75.8625 16.8912 57.3958 16.8913 68.65 23.9984 57.3958 23.9984 -24.7297 GPRESSAVG: 542800 -77.913 18.7717 58.6292 14.6338 71.0712 24.0924 56.2408 23.569 -24.7852 TIMING: 542800 CPU: 1692.28, 0.00312878/step Wall: 1692.28, 0.00312878/step, 3.87378 hours remaining, 234.101562 MB of memory in use. ENERGY: 542800 3922.6864 20518.9321 14424.7290 244.1932 -203619.7388 3400.2972 0.0000 0.0000 52000.6283 -109108.2726 298.8483 -161108.9009 -108743.0819 299.0068 205.5769 236.4844 761988.9531 -10.6474 -10.5424 PRESSURE: 543000 553.516 228.442 -3.9913 228.442 317.368 -88.885 -3.99147 -88.885 365.955 GPRESSURE: 543000 547.437 198.972 -7.24897 147.434 321.735 -188.378 -51.2903 41.1493 450.065 PRESSAVG: 543000 -47.904 -4.68897 -21.3736 -4.689 37.5914 -37.833 -21.3736 -37.833 -3.18488 GPRESSAVG: 543000 -45.6487 -3.85167 -20.2641 -4.61369 37.0149 -38.1781 -21.2813 -37.2523 -4.4704 TIMING: 543000 CPU: 1692.91, 0.00312394/step Wall: 1692.91, 0.00312394/step, 3.86761 hours remaining, 234.101562 MB of memory in use. ENERGY: 543000 3923.3061 20590.5795 14415.6819 238.0079 -202967.3111 2911.5440 0.0000 0.0000 51901.7179 -108986.4737 298.2799 -160888.1916 -108624.9918 299.2139 412.2793 439.7456 762399.6529 -4.4992 -4.3681 PRESSURE: 543200 -432.453 171.078 -44.3155 171.078 90.5385 -113.089 -44.3154 -113.088 -232.1 GPRESSURE: 543200 -440.196 45.5921 0.0105718 115.187 151.488 -122.577 -15.2909 -115.392 -188.111 PRESSAVG: 543200 -49.8023 59.8558 12.7408 59.8558 57.8861 -27.5619 12.7408 -27.5618 -6.18627 GPRESSAVG: 543200 -50.228 55.9832 11.514 61.7088 55.7202 -28.0101 13.8225 -27.8421 -4.0838 TIMING: 543200 CPU: 1693.53, 0.00311142/step Wall: 1693.53, 0.00311142/step, 3.85194 hours remaining, 234.101562 MB of memory in use. ENERGY: 543200 4000.3060 20552.5525 14365.9618 226.4468 -203303.3151 2927.1919 0.0000 0.0000 52118.6960 -109112.1601 299.5269 -161230.8561 -108750.3820 299.3200 -191.3380 -158.9397 762647.2871 0.6325 0.4695 PRESSURE: 543400 351.827 152.486 -90.9935 152.486 172.622 -119.95 -90.9946 -119.95 514.293 GPRESSURE: 543400 297.895 95.1804 -144.296 117.313 261.372 -189.715 22.6207 -62.3619 549.218 PRESSAVG: 543400 -30.0497 29.275 -19.0775 29.275 68.7934 23.0379 -19.0776 23.0379 2.09237 GPRESSAVG: 543400 -30.5091 30.7494 -17.0132 27.5685 69.1298 23.1649 -20.1009 21.5925 1.64812 TIMING: 543400 CPU: 1694.15, 0.00311219/step Wall: 1694.15, 0.00311219/step, 3.85272 hours remaining, 234.101562 MB of memory in use. ENERGY: 543400 3982.2872 20527.6769 14426.6791 270.8149 -203067.6657 2865.1300 0.0000 0.0000 51969.6544 -109025.4232 298.6703 -160995.0775 -108671.0126 299.5106 346.2471 369.4949 761311.0827 13.6120 13.4229 PRESSURE: 543600 110.263 115.746 -167.129 115.747 -101.483 39.4523 -167.129 39.4523 119.203 GPRESSURE: 543600 113.097 115.922 -78.2015 45.5865 -87.1109 16.5552 -90.1901 68.6405 164.797 PRESSAVG: 543600 24.6469 14.8497 17.3876 14.8497 28.7226 -44.2823 17.3876 -44.2824 -25.6844 GPRESSAVG: 543600 23.7506 14.9569 16.7598 16.4078 28.7045 -43.2042 17.4409 -42.2479 -24.7601 TIMING: 543600 CPU: 1694.78, 0.00312961/step Wall: 1694.78, 0.00312961/step, 3.87411 hours remaining, 234.101562 MB of memory in use. ENERGY: 543600 4025.5348 20637.0805 14446.7961 252.6255 -203246.7113 2619.7511 0.0000 0.0000 52204.6218 -109060.3015 300.0207 -161264.9233 -108704.9971 299.5014 42.6609 63.5944 762666.2720 9.2284 9.2316 PRESSURE: 543800 -344.814 82.0727 -53.6304 82.0719 -241.177 78.2387 -53.6296 78.2379 -29.7584 GPRESSURE: 543800 -313.901 46.7568 -96.3586 -74.5605 -224.094 186.308 21.0626 35.8602 32.3826 PRESSAVG: 543800 -34.3144 0.228179 29.297 0.228145 -16.8529 -43.0449 29.297 -43.0449 -12.102 GPRESSAVG: 543800 -34.1006 -1.64222 29.8344 -1.60231 -15.9458 -43.7736 28.7675 -43.6165 -13.1085 TIMING: 543800 CPU: 1695.4, 0.00312565/step Wall: 1695.4, 0.00312566/step, 3.86904 hours remaining, 234.101562 MB of memory in use. ENERGY: 543800 3961.0729 20556.0128 14392.6433 234.7257 -202788.9580 2615.9031 0.0000 0.0000 52132.5399 -108896.0604 299.6064 -161028.6002 -108534.1668 299.3428 -205.2499 -168.5372 764031.3771 -21.0898 -21.0516 PRESSURE: 544000 -76.0268 -253.577 -81.8195 -253.577 -405.904 18.0296 -81.8197 18.0292 -53.396 GPRESSURE: 544000 -65.2141 -124.55 -59.0125 -194.909 -396.389 -21.2081 -93.7731 24.3084 -11.1065 PRESSAVG: 544000 -1.7344 -4.39304 -34.8921 -4.39304 38.0093 0.761289 -34.8921 0.761247 11.3437 GPRESSAVG: 544000 -1.26636 -1.10269 -35.647 -2.44817 39.7277 0.812171 -34.7955 0.0318192 9.86803 TIMING: 544000 CPU: 1696.03, 0.00312501/step Wall: 1696.03, 0.00312501/step, 3.86807 hours remaining, 234.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 544000 4007.3302 20559.7211 14552.0202 250.7010 -202807.8072 2523.8919 0.0000 0.0000 52074.4124 -108839.7304 299.2724 -160914.1428 -108486.7240 300.0422 -178.4423 -157.5698 764686.8168 15.8729 16.1098 PRESSURE: 544200 -169.051 131.596 -50.7415 131.596 247.296 120.058 -50.7423 120.056 341.862 GPRESSURE: 544200 -116.079 23.4865 -60.0877 205.737 309.539 120.949 -2.14568 135.176 304.339 PRESSAVG: 544200 -24.5917 -28.4324 -60.7379 -28.4324 13.9552 36.4149 -60.7379 36.4149 -30.1446 GPRESSAVG: 544200 -24.8414 -29.5776 -61.0574 -28.6216 12.9864 37.0506 -61.7702 35.5074 -28.8594 TIMING: 544200 CPU: 1696.65, 0.00310179/step Wall: 1696.65, 0.00310179/step, 3.83916 hours remaining, 234.101562 MB of memory in use. ENERGY: 544200 3994.6759 20576.8460 14425.8611 226.7681 -203418.7458 2968.1362 0.0000 0.0000 52400.0072 -108826.4513 301.1436 -161226.4585 -108466.0886 300.3139 140.0358 165.9330 763402.4822 -13.5937 -13.5715 LDB: ============= START OF LOAD BALANCING ============== 1709.13 LDB: ============== END OF LOAD BALANCING =============== 1709.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1709.13 LDB: ============= START OF LOAD BALANCING ============== 1709.44 LDB: Largest compute 7052 load 0.029186 is 15.0% of average load 0.194923 LDB: Average compute 0.004358 is 2.2% of average load 0.194923 LDB: TIME 1709.45 LOAD: AVG 0.194923 MAX 0.214905 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.613 MB LDB: TIME 1709.45 LOAD: AVG 0.194923 MAX 0.214905 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.613 MB LDB: TIME 1709.45 LOAD: AVG 0.194923 MAX 0.214905 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.613 MB LDB: ============== END OF LOAD BALANCING =============== 1709.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1709.45 PRESSURE: 544400 129.67 -73.749 142.663 -73.7492 -231.713 179.228 142.664 179.226 -43.0047 GPRESSURE: 544400 64.0861 -77.8936 95.9218 -125.131 -171.331 196.443 196.806 246.82 63.0673 PRESSAVG: 544400 -5.52643 -21.529 -25.6126 -21.5291 8.16771 -9.22542 -25.6126 -9.22548 21.8327 GPRESSAVG: 544400 -5.80277 -20.9711 -25.1155 -22.6199 7.86979 -10.787 -23.7687 -7.80133 22.156 TIMING: 544400 CPU: 1697.29, 0.00318937/step Wall: 1697.29, 0.00318937/step, 3.94737 hours remaining, 234.101562 MB of memory in use. ENERGY: 544400 4044.8831 20688.9258 14537.4783 253.7518 -203266.3827 2973.3310 0.0000 0.0000 52044.4129 -108723.5997 299.1000 -160768.0127 -108363.8945 300.4168 -48.3495 -14.7258 764913.7989 8.1580 8.0743 PRESSURE: 544600 120.689 -30.8788 -68.9316 -30.8795 -303.588 -136.645 -68.9314 -136.645 56.2326 GPRESSURE: 544600 118.05 -82.6533 67.338 -52.5079 -237.573 -120.09 -97.915 -203.59 70.6144 PRESSAVG: 544600 -60.8529 -2.84385 -26.3373 -2.84386 48.2337 2.82948 -26.3374 2.82946 -14.2072 GPRESSAVG: 544600 -61.3194 -1.72287 -27.1343 -0.813743 48.9269 2.46842 -27.4784 1.23787 -15.3708 TIMING: 544600 CPU: 1697.91, 0.00310571/step Wall: 1697.91, 0.00310571/step, 3.84366 hours remaining, 234.101562 MB of memory in use. ENERGY: 544600 4008.5814 20404.4898 14530.3652 251.4389 -203194.2786 2804.8230 0.0000 0.0000 52546.6368 -108647.9434 301.9862 -161194.5803 -108276.0703 300.3606 -42.2219 -16.3028 763530.9408 -8.9421 -9.2544 PRESSURE: 544800 175.769 -140.481 199.589 -140.481 93.5244 -228.262 199.588 -228.262 3.45703 GPRESSURE: 544800 175.794 -114.406 208.125 -182.377 161.794 -252.016 169.42 -149.272 39.1973 PRESSAVG: 544800 -37.2573 -39.0927 -24.8625 -39.0928 92.3881 -62.9706 -24.8626 -62.9707 27.7318 GPRESSAVG: 544800 -36.0987 -39.9926 -25.1016 -39.6793 91.493 -60.8215 -25.3038 -62.6941 27.7824 TIMING: 544800 CPU: 1698.53, 0.00311659/step Wall: 1698.53, 0.00311659/step, 3.85695 hours remaining, 234.101562 MB of memory in use. ENERGY: 544800 4025.6570 20531.1431 14507.5260 244.4169 -203425.5666 2909.7471 0.0000 0.0000 52295.0732 -108912.0032 300.5405 -161207.0764 -108561.1174 300.0571 90.9169 125.5951 761782.6683 27.6209 27.7256 PRESSURE: 545000 149.217 -28.1027 -9.11498 -28.1027 256.743 -12.8693 -9.11565 -12.87 61.4133 GPRESSURE: 545000 176.367 -43.4465 16.9285 40.4106 294.269 58.9453 42.6795 182.402 68.6343 PRESSAVG: 545000 -15.5686 -24.1517 -14.3705 -24.1517 6.19685 -31.9782 -14.3705 -31.9783 27.3511 GPRESSAVG: 545000 -15.6229 -24.4601 -14.9037 -24.9858 6.6964 -33.5014 -13.7133 -32.2067 27.7151 TIMING: 545000 CPU: 1699.15, 0.00309323/step Wall: 1699.15, 0.00309323/step, 3.82787 hours remaining, 234.101562 MB of memory in use. ENERGY: 545000 4040.3922 20400.8485 14513.7526 265.5168 -203491.7977 3133.0465 0.0000 0.0000 51954.7309 -109183.5103 298.5846 -161138.2411 -108828.4430 299.6199 155.7910 179.7567 764436.2938 5.9931 6.2629 PRESSURE: 545200 160.567 -41.9616 -108.763 -41.9619 -13.0408 84.1977 -108.765 84.1967 -12.487 GPRESSURE: 545200 83.4176 -44.8232 -109.359 19.5209 98.3449 66.526 73.3757 144.208 34.8615 PRESSAVG: 545200 -43.5542 1.76415 57.7963 1.76416 75.7061 8.35192 57.7962 8.35191 5.64291 GPRESSAVG: 545200 -43.3807 0.566822 57.7625 3.64283 75.9045 8.45879 55.978 9.68353 6.26135 TIMING: 545200 CPU: 1699.77, 0.00309018/step Wall: 1699.77, 0.00309018/step, 3.82392 hours remaining, 234.101562 MB of memory in use. ENERGY: 545200 4006.8770 20367.0300 14477.5813 253.0452 -203286.2490 2859.7370 0.0000 0.0000 52133.4169 -109188.5617 299.6115 -161321.9786 -108834.9603 299.1813 45.0131 72.2080 762437.7169 12.5983 12.9284 PRESSURE: 545400 -313.9 -131.793 -44.8071 -131.792 239.107 140.618 -44.8066 140.618 50.5167 GPRESSURE: 545400 -239.431 51.3464 -76.5642 -162.331 254.705 138.693 -82.3047 60.3712 50.508 PRESSAVG: 545400 14.0892 -1.3455 -42.6888 -1.34554 0.421341 38.8718 -42.6888 38.8718 2.24133 GPRESSAVG: 545400 14.6438 -0.201377 -41.5471 -1.72205 -0.207035 39.3795 -40.6637 37.1223 2.80381 TIMING: 545400 CPU: 1700.39, 0.00311627/step Wall: 1700.39, 0.00311627/step, 3.85603 hours remaining, 234.101562 MB of memory in use. ENERGY: 545400 3941.6448 20389.4695 14496.7223 248.5526 -203270.1066 3054.7561 0.0000 0.0000 51871.3225 -109267.6388 298.1052 -161138.9613 -108907.1770 299.0313 -8.0922 21.9274 761445.3642 5.5840 5.7469 PRESSURE: 545600 -118.065 189.911 114.565 189.911 338.458 9.21173 114.564 9.21144 48.3864 GPRESSURE: 545600 -72.2241 224.08 31.5186 155.745 270.623 16.1263 25.9954 53.6277 161.776 PRESSAVG: 545600 -4.1453 -21.8462 -3.11363 -21.8462 -30.325 10.0431 -3.11373 10.0431 7.50759 GPRESSAVG: 545600 -4.23027 -20.904 -4.19266 -21.964 -28.8786 9.77458 -3.91623 10.3653 6.04642 TIMING: 545600 CPU: 1701.02, 0.00311944/step Wall: 1701.02, 0.00311944/step, 3.85979 hours remaining, 234.101562 MB of memory in use. ENERGY: 545600 4015.2472 20573.1860 14443.8148 239.2923 -203570.6566 3017.5489 0.0000 0.0000 52071.2646 -109210.3029 299.2543 -161281.5674 -108864.4700 298.9605 89.5932 120.0584 762157.5618 -8.9876 -9.0208 PRESSURE: 545800 -93.3868 12.53 87.5392 12.5303 94.2823 55.9003 87.5403 55.9023 -74.3699 GPRESSURE: 545800 17.1439 -3.42392 119.335 9.19447 102.943 19.606 110.835 6.74281 -94.4475 PRESSAVG: 545800 -0.0714978 1.19822 4.78974 1.19821 6.92799 -11.5302 4.78972 -11.5301 3.01688 GPRESSAVG: 545800 0.147886 -0.262963 5.94739 0.528397 6.35147 -12.603 4.61032 -11.6711 3.74004 TIMING: 545800 CPU: 1701.65, 0.00315563/step Wall: 1701.65, 0.00315563/step, 3.90439 hours remaining, 234.101562 MB of memory in use. ENERGY: 545800 3950.3406 20349.0985 14514.5986 256.0875 -202991.1630 2705.4106 0.0000 0.0000 51891.3114 -109324.3157 298.2201 -161215.6271 -108960.7187 298.6719 -24.4915 8.5466 763510.7840 3.2911 3.4131 PRESSURE: 546000 449.186 141.981 167.318 141.981 178.015 -330.61 167.318 -330.61 -226.779 GPRESSURE: 546000 468.384 196.971 102.801 72.2408 204.746 -353.39 151.778 -115.277 -195.989 PRESSAVG: 546000 29.402 52.5838 63.6604 52.5838 -13.8062 -52.4788 63.6603 -52.4787 -15.1405 GPRESSAVG: 546000 29.2751 53.925 63.6883 53.2561 -14.1685 -51.4352 62.5447 -49.0993 -14.6253 TIMING: 546000 CPU: 1702.28, 0.0031512/step Wall: 1702.28, 0.0031512/step, 3.89874 hours remaining, 234.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 546000 3911.8642 20605.1518 14502.8350 254.8634 -203233.8492 2924.6156 0.0000 0.0000 51900.0918 -109134.4274 298.2705 -161034.5192 -108779.9785 298.8275 133.4740 159.0470 762126.1087 0.1517 0.1604 PRESSURE: 546200 -73.5813 47.9112 142.87 47.9107 -363.312 -84.4262 142.871 -84.4262 -149.43 GPRESSURE: 546200 -182.538 -49.6174 152.915 54.7036 -262.11 -113.41 178.6 -37.8452 -57.9518 PRESSAVG: 546200 83.6566 49.4699 -6.22641 49.47 -39.3823 -50.6849 -6.22628 -50.6848 2.35746 GPRESSAVG: 546200 83.5335 49.8245 -6.0725 52.1027 -39.1994 -52.2386 -4.94646 -54.7656 2.34058 TIMING: 546200 CPU: 1702.9, 0.0031252/step Wall: 1702.9, 0.0031252/step, 3.86639 hours remaining, 234.101562 MB of memory in use. ENERGY: 546200 3965.1221 20328.2421 14470.4689 247.3549 -202593.2018 2391.4227 0.0000 0.0000 52010.6284 -109179.9627 298.9058 -161190.5911 -108826.6212 298.7067 -195.4411 -167.5332 764895.0065 15.5439 15.5582 PRESSURE: 546400 183.607 50.0075 158.458 50.0076 -220.341 -145.778 158.457 -145.779 319.82 GPRESSURE: 546400 197.261 116.975 213.286 124.502 -134.61 -103.264 98.7733 -33.006 289.997 PRESSAVG: 546400 49.4159 -20.5754 16.827 -20.5753 -94.1801 -15.7005 16.8269 -15.7005 -20.4231 GPRESSAVG: 546400 48.7389 -21.2167 15.3955 -20.9784 -93.7683 -13.1957 16.9639 -14.9518 -20.5098 TIMING: 546400 CPU: 1703.53, 0.00311997/step Wall: 1703.53, 0.00311997/step, 3.85976 hours remaining, 234.101562 MB of memory in use. ENERGY: 546400 3954.6247 20584.2471 14474.0043 250.3124 -203382.6944 3041.2150 0.0000 0.0000 51896.3644 -109181.9264 298.2491 -161078.2908 -108820.9742 298.5091 94.3617 117.5492 763860.2173 -21.7291 -21.8464 PRESSURE: 546600 145.668 -101.496 8.7888 -101.496 111.298 -146.626 8.78865 -146.625 -158.198 GPRESSURE: 546600 169.386 -92.0738 -4.68249 -20.7854 164.594 -82.7518 117.314 -103.96 -158.522 PRESSAVG: 546600 42.1369 -16.4026 -22.8872 -16.4027 -49.6602 -66.1695 -22.8872 -66.1695 -6.45363 GPRESSAVG: 546600 43.4418 -15.4848 -23.4795 -17.8851 -50.074 -67.5951 -21.2699 -66.0565 -6.90097 TIMING: 546600 CPU: 1704.15, 0.0031185/step Wall: 1704.15, 0.0031185/step, 3.85775 hours remaining, 234.101562 MB of memory in use. ENERGY: 546600 4015.3102 20476.5333 14441.8152 248.1482 -203149.8812 3115.0845 0.0000 0.0000 51791.0383 -109061.9516 297.6438 -160852.9899 -108713.5778 299.0821 32.9228 58.4857 764430.6928 -4.6590 -4.5111 PRESSURE: 546800 109.886 -63.8282 -164.815 -63.8279 84.1838 -13.5198 -164.815 -13.5192 350.112 GPRESSURE: 546800 223.548 47.6095 -177.712 -91.3692 125.942 -37.1488 4.8641 -1.27275 264.073 PRESSAVG: 546800 -40.2168 61.4099 -14.9682 61.4099 23.327 -2.10337 -14.9681 -2.1034 -19.1483 GPRESSAVG: 546800 -41.1672 59.913 -13.7898 60.3004 23.9921 -2.72047 -14.8419 -0.741146 -18.7975 TIMING: 546800 CPU: 1704.77, 0.00312231/step Wall: 1704.77, 0.00312231/step, 3.8623 hours remaining, 234.101562 MB of memory in use. ENERGY: 546800 4054.4533 20567.0744 14430.1429 262.9399 -203349.7695 3008.4245 0.0000 0.0000 51900.5706 -109126.1640 298.2733 -161026.7346 -108769.2249 299.2694 181.3940 204.5210 763826.9628 -12.0127 -11.9909 PRESSURE: 547000 -70.689 258.063 -126.675 258.063 -16.2875 -9.55931 -126.675 -9.55917 168.027 GPRESSURE: 547000 -16.5621 228.261 -11.9821 202.972 1.17208 12.9413 -226.055 -57.1422 215.071 PRESSAVG: 547000 67.2331 30.4698 -66.5829 30.4698 -70.8947 -38.8437 -66.5828 -38.8437 0.122655 GPRESSAVG: 547000 66.1417 30.3421 -65.2383 33.5048 -69.9992 -37.0713 -68.7022 -41.7275 0.766059 TIMING: 547000 CPU: 1705.4, 0.00311507/step Wall: 1705.4, 0.00311507/step, 3.85317 hours remaining, 234.101562 MB of memory in use. ENERGY: 547000 3996.0374 20438.2225 14464.1566 237.2821 -203084.8431 2531.9197 0.0000 0.0000 52154.7166 -109262.5082 299.7339 -161417.2248 -108908.6532 298.9106 27.0168 66.5604 763829.2795 -1.1796 -1.0305 PRESSURE: 547200 154.244 10.0358 167.423 10.036 -63.0546 91.7375 167.423 91.738 -250.615 GPRESSURE: 547200 146.16 -18.1276 100.884 -1.45073 -14.1482 89.4432 55.5941 -42.2413 -193.069 PRESSAVG: 547200 13.2233 18.6032 -28.4605 18.6033 -5.31521 -23.3775 -28.4606 -23.3776 -7.27611 GPRESSAVG: 547200 14.2335 19.6196 -30.5922 15.576 -6.54163 -25.045 -28.343 -21.611 -7.25827 TIMING: 547200 CPU: 1706.02, 0.00313764/step Wall: 1706.02, 0.00313764/step, 3.88091 hours remaining, 234.101562 MB of memory in use. ENERGY: 547200 3988.6681 20400.9153 14525.0723 255.4379 -203609.9605 2996.3484 0.0000 0.0000 52003.9119 -109439.6067 298.8672 -161443.5186 -109083.3292 298.8996 -53.1420 -20.3522 761221.5339 0.2107 0.1445 PRESSURE: 547400 -172.339 -160.925 -240.182 -160.924 -337.02 -357.595 -240.182 -357.595 -93.2096 GPRESSURE: 547400 -189.351 -91.4927 -255.508 -139.299 -279.172 -267.754 -222.135 -321.842 -34.0092 PRESSAVG: 547400 66.7453 -31.665 19.4109 -31.6649 -31.2179 -25.385 19.4109 -25.385 -2.71202 GPRESSAVG: 547400 66.1193 -31.3812 19.8659 -30.3357 -31.4931 -24.8044 19.8617 -24.7652 -2.31437 TIMING: 547400 CPU: 1706.65, 0.00313007/step Wall: 1706.65, 0.00313007/step, 3.87138 hours remaining, 234.101562 MB of memory in use. ENERGY: 547400 3986.2059 20444.6663 14465.2503 244.6802 -203050.9727 2458.3090 0.0000 0.0000 52008.5620 -109443.2989 298.8939 -161451.8609 -109081.0769 298.6594 -200.8563 -167.5106 761317.3874 10.9384 10.7706 PRESSURE: 547600 91.4651 95.2942 -0.87428 95.2956 -202.194 120.753 -0.872958 120.754 -211.99 GPRESSURE: 547600 93.455 167.647 -69.269 55.1718 -83.8482 117.089 -16.496 108.101 -245.421 PRESSAVG: 547600 81.7632 14.3442 -3.15287 14.3442 -50.7256 -39.464 -3.1529 -39.464 -15.2646 GPRESSAVG: 547600 81.7724 14.5263 -2.6298 16.3662 -50.5702 -38.3279 -3.98668 -40.8979 -15.113 TIMING: 547600 CPU: 1707.27, 0.00311071/step Wall: 1707.27, 0.00311071/step, 3.84726 hours remaining, 234.101562 MB of memory in use. ENERGY: 547600 4026.0181 20658.9829 14513.7104 248.3241 -203326.1245 2688.8369 0.0000 0.0000 52052.5658 -109137.6863 299.1468 -161190.2521 -108781.2869 298.9531 -107.5730 -78.6048 762043.7184 5.2576 5.3631 PRESSURE: 547800 -107.186 -97.7108 92.2528 -97.7119 -283.53 96.6705 92.2535 96.6707 35.951 GPRESSURE: 547800 -92.1679 -142.404 96.7104 -174.787 -267.297 113.461 128.424 157.342 69.4491 PRESSAVG: 547800 -15.8359 -13.6536 36.4806 -13.6536 44.1225 -25.418 36.4806 -25.418 4.84827 GPRESSAVG: 547800 -15.0124 -13.9666 38.1619 -14.6597 43.5333 -27.0024 36.2778 -23.9587 4.52333 TIMING: 547800 CPU: 1707.89, 0.00310724/step Wall: 1707.89, 0.00310724/step, 3.8428 hours remaining, 234.101562 MB of memory in use. ENERGY: 547800 4063.9587 20507.6164 14502.6075 266.4264 -203362.3596 2906.0824 0.0000 0.0000 52057.5568 -109058.1115 299.1755 -161115.6683 -108699.9043 299.1922 -118.2550 -96.6721 763484.6237 11.0449 11.0147 PRESSURE: 548000 -152.388 -44.1755 -152.722 -44.1751 -54.8541 38.09 -152.722 38.0903 -79.4963 GPRESSURE: 548000 -136.756 9.56127 -253.786 -43.3318 -69.9325 -60.7544 -133.688 12.8379 -16.0103 PRESSAVG: 548000 36.8378 -13.8981 -32.3934 -13.8982 -7.1253 9.81738 -32.3934 9.81734 -12.9928 GPRESSAVG: 548000 36.2394 -15.9789 -32.7802 -14.9573 -5.82264 9.68382 -31.276 9.65528 -13.1904 TIMING: 548000 CPU: 1708.52, 0.00313012/step Wall: 1708.52, 0.00313012/step, 3.87092 hours remaining, 234.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 548000 4023.0154 20500.4256 14488.1842 245.8755 -202946.8498 2653.4915 0.0000 0.0000 52145.5535 -108890.3041 299.6812 -161035.8576 -108518.9910 299.8686 -95.5796 -74.2331 763628.5296 5.5732 5.7421 PRESSURE: 548200 165.234 177.966 -38.9367 177.967 120.79 38.8648 -38.9376 38.8639 364.622 GPRESSURE: 548200 187.915 237.407 -67.6412 132.558 278.36 73.1486 -221.445 -20.3484 275.79 PRESSAVG: 548200 -42.9554 -1.38957 -4.61597 -1.38956 9.60192 34.8937 -4.61599 34.8936 4.19651 GPRESSAVG: 548200 -41.1607 2.05875 -4.24837 -3.29921 9.41005 35.9701 -5.6176 33.06 3.02601 TIMING: 548200 CPU: 1709.14, 0.00311589/step Wall: 1709.14, 0.00311589/step, 3.85315 hours remaining, 234.101562 MB of memory in use. ENERGY: 548200 3957.8193 20582.7138 14530.1281 248.9335 -203247.4139 2925.3106 0.0000 0.0000 52130.1031 -108872.4055 299.5924 -161002.5086 -108516.9240 299.8431 216.8820 247.3547 761346.0194 -9.7190 -9.5749 LDB: ============= START OF LOAD BALANCING ============== 1721.62 LDB: ============== END OF LOAD BALANCING =============== 1721.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1721.62 LDB: ============= START OF LOAD BALANCING ============== 1721.94 LDB: Largest compute 7052 load 0.029516 is 15.1% of average load 0.194939 LDB: Average compute 0.004366 is 2.2% of average load 0.194939 LDB: TIME 1721.94 LOAD: AVG 0.194939 MAX 0.215105 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.875 MB LDB: TIME 1721.94 LOAD: AVG 0.194939 MAX 0.215105 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.875 MB LDB: TIME 1721.94 LOAD: AVG 0.194939 MAX 0.215105 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.875 MB LDB: ============== END OF LOAD BALANCING =============== 1721.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1721.95 PRESSURE: 548400 34.2864 -142.369 -197.395 -142.369 -284.625 -168.981 -197.395 -168.98 -128.615 GPRESSURE: 548400 61.121 -143.654 -248.734 -226.499 -279.629 -158.485 -160.154 12.5741 -99.8107 PRESSAVG: 548400 -18.7269 -11.4139 -24.5215 -11.4139 28.6649 15.8189 -24.5215 15.8189 -6.38086 GPRESSAVG: 548400 -20.224 -13.3723 -25.889 -9.80446 28.55 17.7643 -23.7735 15.4008 -4.61965 TIMING: 548400 CPU: 1709.78, 0.00319244/step Wall: 1709.78, 0.00319244/step, 3.94763 hours remaining, 234.304688 MB of memory in use. ENERGY: 548400 3991.9117 20410.4658 14427.6223 264.8871 -202857.1450 2368.2266 0.0000 0.0000 52177.9412 -109216.0903 299.8673 -161394.0315 -108845.4942 299.5386 -126.3179 -106.1061 763262.0958 1.1857 1.2355 PRESSURE: 548600 402.876 26.5929 105.474 26.5935 403.286 248.993 105.473 248.994 142.455 GPRESSURE: 548600 428.927 -22.8716 166.001 101.726 490.534 225.704 7.6113 214.716 112.518 PRESSAVG: 548600 -10.3544 -14.0021 -39.993 -14.0021 17.3797 -3.09484 -39.993 -3.09478 38.8786 GPRESSAVG: 548600 -10.1336 -14.574 -39.7231 -12.2335 18.3679 -6.0565 -39.9285 -1.38735 38.381 TIMING: 548600 CPU: 1710.4, 0.00311642/step Wall: 1710.4, 0.00311642/step, 3.85345 hours remaining, 234.507812 MB of memory in use. ENERGY: 548600 3995.9662 20563.2684 14460.7478 240.9185 -203276.4675 2939.2011 0.0000 0.0000 52068.1674 -109008.1981 299.2365 -161076.3655 -108642.1437 299.5355 316.2058 343.9929 760948.4123 15.3013 15.5385 PRESSURE: 548800 -11.4098 30.6119 59.4307 30.6117 399.959 -465.327 59.4292 -465.328 42.5409 GPRESSURE: 548800 40.1827 -74.3319 6.22653 140.077 396.428 -488.445 -51.2204 -343.436 77.6687 PRESSAVG: 548800 -10.3719 8.36926 -12.2638 8.36921 33.4041 -39.2145 -12.2638 -39.2146 -7.42511 GPRESSAVG: 548800 -9.35841 8.64319 -12.6708 7.33103 32.586 -36.7921 -12.2233 -39.6789 -7.00601 TIMING: 548800 CPU: 1711.03, 0.0031026/step Wall: 1711.03, 0.0031026/step, 3.83619 hours remaining, 234.507812 MB of memory in use. ENERGY: 548800 3961.1859 20408.0286 14406.9084 247.9793 -203301.5855 3008.5701 0.0000 0.0000 52206.4142 -109062.4988 300.0310 -161268.9131 -108708.5904 299.6771 143.6966 171.4266 763245.3016 5.2024 5.4072 PRESSURE: 549000 83.3464 -59.352 31.2932 -59.3514 -431.06 -377.356 31.2927 -377.356 130.793 GPRESSURE: 549000 44.0624 -3.51547 121.981 50.6208 -322.111 -345.913 91.1368 -336.364 153.956 PRESSAVG: 549000 3.85207 16.5962 10.6892 16.5962 15.8122 -56.0619 10.6893 -56.0619 -2.75976 GPRESSAVG: 549000 3.712 18.0265 12.2878 16.9942 15.709 -56.9202 9.28612 -54.6769 -2.47897 TIMING: 549000 CPU: 1711.64, 0.00308944/step Wall: 1711.64, 0.00308944/step, 3.81975 hours remaining, 234.507812 MB of memory in use. ENERGY: 549000 3905.7358 20539.7872 14367.1566 232.4614 -202907.3498 2562.4654 0.0000 0.0000 52123.4684 -109176.2751 299.5543 -161299.7435 -108816.7600 299.4945 -72.3067 -41.3644 762997.0753 5.6348 5.6474 PRESSURE: 549200 -397.795 227.172 -182.829 227.172 111.069 -95.6298 -182.828 -95.6291 -76.2094 GPRESSURE: 549200 -342.579 72.5038 -152.2 261.911 168.868 8.3339 -233.985 -134.581 -98.6437 PRESSAVG: 549200 -11.1903 28.9974 -41.9397 28.9973 25.4989 -56.6854 -41.9397 -56.6854 23.2454 GPRESSAVG: 549200 -11.9391 26.7316 -43.5585 30.2104 27.0548 -56.8335 -39.6698 -59.4794 22.5005 TIMING: 549200 CPU: 1712.26, 0.00309786/step Wall: 1712.26, 0.00309786/step, 3.82999 hours remaining, 234.507812 MB of memory in use. ENERGY: 549200 4059.3775 20541.9688 14429.4308 239.5193 -202978.6934 2620.7075 0.0000 0.0000 52140.6153 -108947.0741 299.6528 -161087.6894 -108585.9399 299.5924 -120.9788 -90.7847 762180.6576 12.5180 12.5387 PRESSURE: 549400 79.57 -134.508 -133.06 -134.509 -233.563 -54.2098 -133.061 -54.2098 188.018 GPRESSURE: 549400 47.0323 -151.741 -93.4876 -96.0177 -56.1317 2.18625 -128.499 3.19261 139.089 PRESSAVG: 549400 12.5866 19.5085 -25.1552 19.5085 3.71631 -47.896 -25.1551 -47.896 17.4875 GPRESSAVG: 549400 13.0669 20.5764 -24.1622 18.9621 3.67131 -46.8817 -25.894 -45.2426 16.6892 TIMING: 549400 CPU: 1712.89, 0.00311701/step Wall: 1712.89, 0.00311701/step, 3.85349 hours remaining, 234.507812 MB of memory in use. ENERGY: 549400 3957.0944 20580.5104 14518.1706 240.2168 -203467.4656 2911.0025 0.0000 0.0000 52184.3739 -109076.0970 299.9043 -161260.4709 -108714.7440 299.6734 11.3416 43.3298 762310.0492 11.2635 11.1425 PRESSURE: 549600 -207.795 250.832 241.675 250.831 112.351 76.6246 241.674 76.6246 222.781 GPRESSURE: 549600 -110.393 235.153 213.218 205.767 145.538 84.8633 138.567 -23.7788 189.789 PRESSAVG: 549600 -14.2706 -10.489 -28.8046 -10.489 7.97732 -63.6763 -28.8046 -63.6763 14.8567 GPRESSAVG: 549600 -14.1496 -9.96679 -27.6653 -11.0067 6.60796 -63.9385 -28.4259 -65.6 15.5059 TIMING: 549600 CPU: 1713.51, 0.00310607/step Wall: 1713.51, 0.00310607/step, 3.83979 hours remaining, 234.507812 MB of memory in use. ENERGY: 549600 4005.5161 20666.7510 14435.4233 249.8407 -203496.2328 2860.0709 0.0000 0.0000 52331.1033 -108947.5276 300.7476 -161278.6309 -108590.3920 300.0530 42.4457 74.9781 763211.0750 2.8545 2.6548 PRESSURE: 549800 -141.799 -85.2323 87.2307 -85.2325 -360.664 62.0717 87.2316 62.0724 -435.94 GPRESSURE: 549800 -163.236 -57.7234 124.638 -26.3914 -326.571 74.6479 -7.62798 107.518 -370.855 PRESSAVG: 549800 -24.1473 -13.1704 -50.3857 -13.1705 -29.0335 -98.1286 -50.3857 -98.1286 -16.4011 GPRESSAVG: 549800 -24.3446 -12.1117 -49.7459 -13.3956 -29.5648 -99.709 -53.5183 -95.9392 -15.6734 TIMING: 549800 CPU: 1714.13, 0.00310639/step Wall: 1714.13, 0.00310639/step, 3.84001 hours remaining, 234.507812 MB of memory in use. ENERGY: 549800 4093.1912 20548.5164 14452.0083 246.1274 -202628.0692 2496.0185 0.0000 0.0000 52068.4864 -108723.7210 299.2383 -160792.2074 -108359.0889 299.8098 -312.8008 -286.8872 765937.5145 -23.1940 -23.1943 PRESSURE: 550000 -361.849 -70.7383 150.18 -70.7378 -143.43 -214.504 150.18 -214.505 -224.608 GPRESSURE: 550000 -341.484 -195.279 106.165 -74.658 -118.185 -213.546 128.971 -157.824 -178.426 PRESSAVG: 550000 30.4338 -13.0713 -24.4605 -13.0714 -4.74659 -49.783 -24.4606 -49.783 -0.776398 GPRESSAVG: 550000 31.4251 -15.51 -24.8472 -13.4845 -5.1921 -47.2911 -21.6266 -51.9377 -0.985798 TIMING: 550000 CPU: 1714.75, 0.0031035/step Wall: 1714.75, 0.0031035/step, 3.83627 hours remaining, 234.507812 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: 550000 4057.6125 20546.4444 14484.0644 231.4967 -202595.2083 2402.1959 0.0000 0.0000 52206.9819 -108666.4124 300.0342 -160873.3943 -108305.6438 300.2782 -243.2959 -212.6985 764454.6046 8.3036 8.4157 PRESSURE: 550200 -108.64 94.7529 -73.605 94.7531 -47.7366 -91.961 -73.6061 -91.9598 71.8328 GPRESSURE: 550200 -129.75 46.0013 14.3422 116.998 59.2146 -75.4604 -93.4894 -126.578 74.0596 PRESSAVG: 550200 11.7283 -20.4752 -16.0207 -20.4753 10.436 0.253685 -16.0208 0.253788 -15.791 GPRESSAVG: 550200 11.2909 -22.1573 -17.4254 -21.0511 11.7414 -0.889923 -16.6723 2.07254 -16.1665 TIMING: 550200 CPU: 1715.37, 0.00309774/step Wall: 1715.37, 0.00309774/step, 3.82897 hours remaining, 234.507812 MB of memory in use. ENERGY: 550200 3965.6922 20581.1826 14547.6967 236.1163 -202773.4366 2681.3562 0.0000 0.0000 52185.2247 -108576.1680 299.9092 -160761.3927 -108211.1794 300.8391 -28.1812 1.1747 763122.5919 2.1245 2.2886 PRESSURE: 550400 233.04 -130.444 -134.439 -130.444 102.515 98.6823 -134.44 98.6824 197.266 GPRESSURE: 550400 325.792 -115.227 -69.2953 -97.6458 152.346 82.3825 -23.6293 106.803 124.638 PRESSAVG: 550400 18.9114 -12.6942 -26.3422 -12.6942 3.07594 -13.621 -26.3421 -13.6209 -8.63342 GPRESSAVG: 550400 19.664 -12.0722 -25.8564 -12.7131 1.29911 -13.4093 -26.1478 -14.5791 -7.69336 TIMING: 550400 CPU: 1715.99, 0.00310763/step Wall: 1715.99, 0.00310763/step, 3.84103 hours remaining, 234.507812 MB of memory in use. ENERGY: 550400 3983.7009 20497.4748 14506.1296 248.8906 -202951.1400 2810.6251 0.0000 0.0000 52019.1587 -108885.1603 298.9548 -160904.3189 -108538.5038 299.8904 177.6071 200.9252 763240.5583 4.4513 4.4233 PRESSURE: 550600 -36.5693 -35.9027 15.6358 -35.9025 19.1872 -435.49 15.6367 -435.49 -38.2963 GPRESSURE: 550600 -17.2055 -115.123 106.453 -41.4048 65.6903 -488.866 -15.1276 -243.605 -29.5751 PRESSAVG: 550600 55.5073 -22.7219 36.8179 -22.7219 11.9686 -16.6987 36.818 -16.6986 37.3981 GPRESSAVG: 550600 56.1666 -19.8553 36.1698 -21.2577 13.0214 -15.5131 37.4233 -15.996 35.6844 TIMING: 550600 CPU: 1716.61, 0.00311077/step Wall: 1716.61, 0.00311077/step, 3.84473 hours remaining, 234.507812 MB of memory in use. ENERGY: 550600 3934.1063 20571.6817 14500.9214 233.7396 -203371.4408 2713.9335 0.0000 0.0000 52359.3692 -109057.6890 300.9100 -161417.0582 -108682.3386 299.6351 -18.5595 6.3032 761450.0360 34.9580 34.9574 PRESSURE: 550800 -12.4111 -1.04508 -35.0094 -1.0462 -185.321 81.1508 -35.0093 81.1497 -178.447 GPRESSURE: 550800 24.4956 -32.2453 6.11484 -22.8784 -128.55 19.3775 37.6586 55.49 -219.648 PRESSAVG: 550800 8.17921 -59.2259 39.5696 -59.2259 -2.37701 -13.7635 39.5697 -13.7635 11.2065 GPRESSAVG: 550800 6.99745 -62.4839 39.5705 -59.0251 -2.67684 -16.7817 40.222 -11.8688 12.9197 TIMING: 550800 CPU: 1717.23, 0.00310556/step Wall: 1717.23, 0.00310556/step, 3.83812 hours remaining, 234.507812 MB of memory in use. ENERGY: 550800 4058.7998 20535.6611 14435.1167 245.0590 -202882.8507 2462.5242 0.0000 0.0000 52152.4757 -108993.2142 299.7210 -161145.6899 -108630.3024 299.7896 -125.3930 -107.9009 764306.8992 5.6695 5.7468 PRESSURE: 551000 8.82161 -108.994 25.1649 -108.993 -281.028 -254.761 25.1645 -254.761 152.228 GPRESSURE: 551000 25.6494 -142.192 -18.2491 -45.5868 -201.291 -149.193 28.519 -333.282 132.205 PRESSAVG: 551000 18.1242 -34.7471 13.4313 -34.747 4.22965 -15.4897 13.4313 -15.4897 -0.279149 GPRESSAVG: 551000 19.3264 -33.3145 13.1448 -35.6961 4.35933 -12.6232 14.5084 -18.3668 -1.77242 TIMING: 551000 CPU: 1717.86, 0.00311287/step Wall: 1717.86, 0.00311287/step, 3.84699 hours remaining, 234.507812 MB of memory in use. ENERGY: 551000 4007.1927 20469.1484 14466.9241 253.0064 -203043.9580 2722.0581 0.0000 0.0000 52150.8594 -108974.7689 299.7117 -161125.6284 -108612.7363 299.5835 -39.9930 -14.4789 763635.2392 7.3582 7.3044 PRESSURE: 551200 -188.099 -43.1733 -34.2357 -43.1731 -404.789 45.6664 -34.2356 45.6657 86.6831 GPRESSURE: 551200 -106.644 -155.636 45.8142 -109.866 -326.734 144.9 40.2639 12.9567 33.8438 PRESSAVG: 551200 3.95817 -27.0545 18.0539 -27.0545 -51.8624 -29.2648 18.054 -29.2648 0.692993 GPRESSAVG: 551200 3.7435 -28.1599 18.2405 -28.1693 -51.5066 -30.3124 18.8049 -28.3641 0.990235 TIMING: 551200 CPU: 1718.48, 0.00310667/step Wall: 1718.48, 0.00310667/step, 3.83916 hours remaining, 234.507812 MB of memory in use. ENERGY: 551200 3987.2145 20410.9680 14500.9294 253.6123 -203088.5080 2626.3450 0.0000 0.0000 52173.8979 -109135.5409 299.8441 -161309.4389 -108778.7689 299.8206 -168.7350 -133.1780 762447.7004 -15.7371 -15.5909 PRESSURE: 551400 38.8677 105.82 -40.3542 105.82 151.346 61.3659 -40.3547 61.367 178.497 GPRESSURE: 551400 46.9351 42.5216 -32.7467 79.0665 235.83 31.0053 -233.293 85.3785 151.922 PRESSAVG: 551400 -46.2192 -35.0521 14.8805 -35.052 -6.88248 -46.8712 14.8805 -46.8712 25.2265 GPRESSAVG: 551400 -47.2602 -36.0533 15.5873 -34.1512 -5.98306 -47.2756 12.4653 -46.9027 25.4558 TIMING: 551400 CPU: 1719.1, 0.00311994/step Wall: 1719.1, 0.00311994/step, 3.85538 hours remaining, 234.507812 MB of memory in use. ENERGY: 551400 3994.4045 20445.9366 14490.9482 239.3435 -203202.4211 2676.3490 0.0000 0.0000 52102.4961 -109252.9431 299.4338 -161355.4392 -108889.5702 299.3285 122.9036 144.8958 763332.5153 -9.2917 -9.2625 PRESSURE: 551600 116.344 6.70917 273.023 6.70895 162.862 85.6377 273.022 85.6374 -8.98269 GPRESSURE: 551600 178.288 -37.331 325.612 -69.8966 154.595 148.647 354.959 -120.541 27.1733 PRESSAVG: 551600 -38.0317 -7.82914 23.4554 -7.82924 61.2666 -3.11688 23.4554 -3.11688 -9.32091 GPRESSAVG: 551600 -37.9784 -5.78996 22.5263 -7.18018 61.1576 -1.28099 25.6083 -4.79519 -9.38816 TIMING: 551600 CPU: 1719.73, 0.00311794/step Wall: 1719.73, 0.00311794/step, 3.85273 hours remaining, 234.507812 MB of memory in use. ENERGY: 551600 3994.0708 20200.9920 14461.9891 253.7707 -203297.8582 2968.9628 0.0000 0.0000 52182.9490 -109235.1238 299.8961 -161418.0728 -108868.4646 299.0754 90.0745 120.0187 762175.0711 4.6380 4.5970 PRESSURE: 551800 6.22502 35.893 -118.351 35.8938 -123.121 -251.897 -118.351 -251.897 151.714 GPRESSURE: 551800 173.079 31.857 -132.926 -25.8673 -139.859 -340.317 -203.74 -166.198 82.1384 PRESSAVG: 551800 -3.8655 59.1108 -4.53151 59.1108 -0.258997 -13.178 -4.53153 -13.1781 -3.94242 GPRESSAVG: 551800 -3.39554 59.1327 -3.30062 57.9006 0.0296884 -15.9999 -7.62555 -13.1202 -4.66079 TIMING: 551800 CPU: 1720.35, 0.00310924/step Wall: 1720.35, 0.00310924/step, 3.84181 hours remaining, 234.507812 MB of memory in use. ENERGY: 551800 3948.6084 20437.9786 14503.6951 230.3199 -203101.4187 2574.5090 0.0000 0.0000 51983.6999 -109422.6077 298.7510 -161406.3076 -109049.0704 299.0943 11.6061 38.4527 762791.1174 -2.6890 -2.6755 PRESSURE: 552000 -144.08 -5.67882 28.2092 -5.67951 157.64 -22.3713 28.2094 -22.3709 -79.0802 GPRESSURE: 552000 -68.0029 66.5256 -7.67509 12.9746 107.018 -75.5983 115.107 -35.7427 -38.2236 PRESSAVG: 552000 -1.42885 15.2618 -26.1719 15.2619 18.3027 -38.3475 -26.1719 -38.3475 10.7863 GPRESSAVG: 552000 -2.15127 16.0983 -25.9135 16.2504 17.8841 -37.1918 -22.6328 -38.1907 11.7333 TIMING: 552000 CPU: 1720.97, 0.00309165/step Wall: 1720.97, 0.00309164/step, 3.8199 hours remaining, 234.507812 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: 552000 4003.2485 20616.1491 14508.2877 237.6373 -203366.4647 2853.6778 0.0000 0.0000 51906.5070 -109240.9573 298.3074 -161147.4643 -108884.7497 298.9280 -21.8398 0.2637 762530.8939 9.2201 9.1554 PRESSURE: 552200 117.077 81.8604 -17.4455 81.8596 119.352 60.6101 -17.4447 60.6106 230.861 GPRESSURE: 552200 176.66 10.1704 -20.4005 102.558 155.384 -3.21257 -21.1777 170.529 229.959 PRESSAVG: 552200 -63.6382 53.5474 -28.9629 53.5474 85.4561 -54.4733 -28.9628 -54.4733 14.5957 GPRESSAVG: 552200 -63.4466 52.7258 -29.9546 53.6808 85.2324 -54.2045 -29.7414 -54.3275 14.8996 TIMING: 552200 CPU: 1721.58, 0.00309713/step Wall: 1721.58, 0.00309713/step, 3.8265 hours remaining, 234.507812 MB of memory in use. ENERGY: 552200 3907.5508 20472.0318 14527.2617 265.6794 -203895.8281 3127.1444 0.0000 0.0000 52321.0726 -109275.0874 300.6899 -161596.1600 -108895.3563 298.8796 155.7631 187.3344 763025.5608 12.1378 12.2284 LDB: ============= START OF LOAD BALANCING ============== 1734.06 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1734.06 LDB: =============== DONE WITH MIGRATION ================ 1734.07 LDB: ============= START OF LOAD BALANCING ============== 1734.38 LDB: Largest compute 7052 load 0.030108 is 15.4% of average load 0.195001 LDB: Average compute 0.004400 is 2.3% of average load 0.195001 LDB: TIME 1734.38 LOAD: AVG 0.195001 MAX 0.213335 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.336 MB LDB: TIME 1734.38 LOAD: AVG 0.195001 MAX 0.213335 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.336 MB LDB: TIME 1734.38 LOAD: AVG 0.195001 MAX 0.213335 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.336 MB LDB: ============== END OF LOAD BALANCING =============== 1734.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1734.39 PRESSURE: 552400 -148.841 -71.4734 -92.3034 -71.4728 -82.5173 -251.928 -92.3035 -251.927 -806.259 GPRESSURE: 552400 -121.245 -128.601 -108.446 -247.858 -20.35 -303.887 -75.2292 -132.858 -808.783 PRESSAVG: 552400 -29.9875 6.58366 0.0363193 6.58367 27.4642 -46.2839 0.0363189 -46.2839 -8.97661 GPRESSAVG: 552400 -30.7827 7.66621 0.428673 4.04211 28.212 -45.5729 -1.0326 -46.6162 -9.28754 TIMING: 552400 CPU: 1722.22, 0.00319924/step Wall: 1722.22, 0.00319924/step, 3.95248 hours remaining, 234.246094 MB of memory in use. ENERGY: 552400 4036.1952 20475.3108 14503.3296 254.9012 -203061.0143 2558.3496 0.0000 0.0000 52069.3711 -109163.5569 299.2434 -161232.9279 -108799.9130 299.1113 -345.8724 -316.7928 764309.3993 -3.8333 -3.9527 PRESSURE: 552600 -351.134 -131.677 -72.6311 -131.678 72.1092 148.01 -72.6309 148.01 118.824 GPRESSURE: 552600 -339.853 -118.42 -8.07864 -174.428 100.298 176.16 -13.9825 192.28 155.651 PRESSAVG: 552600 -55.3836 29.3224 64.8249 29.3225 54.168 -56.9522 64.8249 -56.9522 2.91396 GPRESSAVG: 552600 -54.9858 28.9302 64.3581 29.3806 54.7021 -58.7408 64.9692 -55.6303 2.24649 TIMING: 552600 CPU: 1722.85, 0.00310932/step Wall: 1722.85, 0.00310932/step, 3.84122 hours remaining, 234.246094 MB of memory in use. ENERGY: 552600 4010.7860 20518.4993 14507.6156 243.6045 -203453.7273 2808.4178 0.0000 0.0000 52139.4607 -109225.3434 299.6462 -161364.8041 -108867.7586 299.3099 -53.4003 -27.9681 764509.3983 0.5661 0.6543 PRESSURE: 552800 95.8551 -88.9733 -49.4259 -88.9733 -0.808248 26.7308 -49.4276 26.7312 321.539 GPRESSURE: 552800 168.598 -86.2092 -144.193 -38.9787 66.0249 69.6437 -66.0361 104.936 269.423 PRESSAVG: 552800 -31.1691 12.9147 2.86424 12.9147 16.4715 43.028 2.86424 43.028 1.62169 GPRESSAVG: 552800 -29.5729 12.4494 1.56677 16.1713 15.2554 43.625 5.64922 41.6992 1.48943 TIMING: 552800 CPU: 1723.47, 0.00313848/step Wall: 1723.47, 0.00313848/step, 3.87707 hours remaining, 234.246094 MB of memory in use. ENERGY: 552800 3981.2264 20597.9184 14572.1702 238.8858 -203373.5074 2947.0267 0.0000 0.0000 51998.1022 -109038.1778 298.8338 -161036.2800 -108672.1657 299.1647 138.8620 168.0153 762734.4287 -4.3586 -4.2760 PRESSURE: 553000 -322.986 -81.9182 -92.6631 -81.9184 -86.0067 99.9254 -92.6631 99.9267 101.882 GPRESSURE: 553000 -301.31 22.7241 -60.5139 -53.0948 -68.0821 142.582 -55.8631 -0.646086 120.58 PRESSAVG: 553000 -9.68323 -34.6645 -29.3994 -34.6646 30.2456 6.93737 -29.3993 6.93736 -1.95404 GPRESSAVG: 553000 -10.1807 -34.1887 -29.0044 -36.1507 30.8261 7.01426 -29.2274 9.92064 -2.51122 TIMING: 553000 CPU: 1724.1, 0.00312673/step Wall: 1724.1, 0.00312673/step, 3.86237 hours remaining, 234.246094 MB of memory in use. ENERGY: 553000 3998.0467 20388.8920 14519.3227 216.5086 -203151.1024 2672.2443 0.0000 0.0000 52318.9999 -109037.0882 300.6780 -161356.0881 -108667.0692 299.4472 -102.3701 -82.9372 763403.6675 6.2028 6.0447 PRESSURE: 553200 146.138 88.0994 76.8069 88.0983 19.5954 36.0052 76.8073 36.0053 -41.5476 GPRESSURE: 553200 100.717 29.9038 24.8227 105.5 98.3941 104.111 -5.42994 -72.7622 12.7196 PRESSAVG: 553200 32.7403 -20.7114 -2.71266 -20.7115 -0.698201 36.7415 -2.71264 36.7415 -11.0136 GPRESSAVG: 553200 31.2633 -20.5107 -2.12936 -20.3428 1.24858 38.2632 -5.84592 35.2506 -11.3402 TIMING: 553200 CPU: 1724.72, 0.00310244/step Wall: 1724.72, 0.00310244/step, 3.83221 hours remaining, 234.246094 MB of memory in use. ENERGY: 553200 4060.4276 20399.6581 14516.9693 254.6261 -203002.6246 2551.2042 0.0000 0.0000 52122.7248 -109097.0145 299.5500 -161219.7394 -108733.8986 299.5378 41.3952 70.6103 761659.4694 7.0095 7.0572 PRESSURE: 553400 8.87104 124.862 210.274 124.863 202.564 73.2808 210.274 73.2813 209.472 GPRESSURE: 553400 115.891 80.1686 202.563 38.2419 142.743 24.5374 155.05 190.013 215.254 PRESSAVG: 553400 -52.8682 -3.88028 7.12027 -3.88029 33.1242 -36.6786 7.1203 -36.6787 -4.86171 GPRESSAVG: 553400 -52.1129 -3.82164 6.44762 -3.92841 32.0156 -36.7664 8.10996 -37.3227 -3.99707 TIMING: 553400 CPU: 1725.34, 0.00311243/step Wall: 1725.34, 0.00311243/step, 3.84437 hours remaining, 234.246094 MB of memory in use. ENERGY: 553400 3965.8607 20596.7537 14501.5076 246.5453 -202664.2869 2390.7492 0.0000 0.0000 52053.0576 -108909.8128 299.1496 -160962.8705 -108550.7509 299.2934 140.3021 157.9629 762390.2044 -8.2019 -8.0315 PRESSURE: 553600 -172.336 63.7395 0.568367 63.7395 37.571 4.25102 0.568585 4.25158 96.3167 GPRESSURE: 553600 -132.213 -25.3409 139.401 52.1462 92.7666 -8.01805 29.3578 -57.1699 74.1587 PRESSAVG: 553600 31.5336 24.9523 69.6194 24.9523 18.0335 4.38395 69.6194 4.38393 -5.11731 GPRESSAVG: 553600 32.3009 24.5924 71.6421 23.8819 16.5736 2.46031 68.4435 3.73938 -4.16134 TIMING: 553600 CPU: 1725.97, 0.00312158/step Wall: 1725.97, 0.00312158/step, 3.8555 hours remaining, 234.246094 MB of memory in use. ENERGY: 553600 3991.9849 20517.7505 14460.4345 231.5518 -202989.4740 2691.5653 0.0000 0.0000 52310.6477 -108785.5393 300.6300 -161096.1870 -108424.8512 299.6967 -12.8162 11.5707 762425.6721 14.8166 14.9044 PRESSURE: 553800 -248.006 34.8932 -27.8153 34.8922 -49.5244 43.6951 -27.8145 43.6967 -641.754 GPRESSURE: 553800 -234.223 131.847 -45.9838 29.0133 -5.07573 -7.49285 50.6302 99.8147 -624.94 PRESSAVG: 553800 9.98692 14.939 -10.1563 14.9389 -11.0511 26.9881 -10.1562 26.9881 21.6845 GPRESSAVG: 553800 9.1892 14.2913 -9.85605 14.5978 -8.90199 26.9853 -9.35584 29.0824 20.3632 TIMING: 553800 CPU: 1726.59, 0.00311898/step Wall: 1726.59, 0.00311898/step, 3.85211 hours remaining, 234.246094 MB of memory in use. ENERGY: 553800 4000.4532 20519.7484 14573.5514 245.2990 -202654.3693 2314.8942 0.0000 0.0000 51959.1622 -109041.2610 298.6100 -161000.4232 -108676.8244 299.9948 -313.0947 -288.0795 763453.0215 6.8734 6.8835 PRESSURE: 554000 -140.837 38.5656 110.094 38.5648 96.618 338.74 110.093 338.74 124.139 GPRESSURE: 554000 -120.801 -0.116091 6.44219 142.301 165.685 311.493 83.37 338.17 136.682 PRESSAVG: 554000 4.50522 0.131261 1.11212 0.131257 9.64309 25.6563 1.11214 25.6563 14.1609 GPRESSAVG: 554000 5.65793 -0.971496 0.0381855 2.77633 9.61444 25.1765 1.28543 25.456 13.6594 TIMING: 554000 CPU: 1727.21, 0.00310875/step Wall: 1727.21, 0.00310875/step, 3.83931 hours remaining, 234.246094 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: 554000 3973.9185 20637.6578 14491.4082 253.9640 -203276.2165 2839.4315 0.0000 0.0000 52037.7188 -109042.1177 299.0615 -161079.8365 -108680.8131 299.5985 26.6399 60.5220 763863.7069 9.4364 9.6439 PRESSURE: 554200 -198.775 81.5931 0.785639 81.5944 295.595 163.068 0.786743 163.068 316.428 GPRESSURE: 554200 -183.773 -60.9446 -8.17124 112.837 327.742 91.2308 -47.158 65.6542 343.498 PRESSAVG: 554200 -55.7115 27.5697 -12.7425 27.5697 46.431 4.45275 -12.7424 4.45268 15.0379 GPRESSAVG: 554200 -55.403 28.1783 -12.4896 24.7082 45.4267 3.22346 -12.5282 5.00308 15.6644 TIMING: 554200 CPU: 1727.84, 0.0031179/step Wall: 1727.84, 0.0031179/step, 3.85044 hours remaining, 234.246094 MB of memory in use. ENERGY: 554200 3948.5151 20558.5499 14491.4537 244.3938 -203569.5660 3007.3075 0.0000 0.0000 52242.7321 -109076.6140 300.2397 -161319.3460 -108710.0059 299.0677 137.7492 162.4889 763337.7472 1.9191 1.8961 PRESSURE: 554400 -202.537 31.9325 -10.7142 31.9324 -42.4836 52.5162 -10.7137 52.5164 -148.214 GPRESSURE: 554400 -239.715 -129.898 -46.8818 -40.0324 0.952711 141.151 110.426 -121.16 -90.4073 PRESSAVG: 554400 -13.5299 44.4651 8.24186 44.4651 28.4724 3.76861 8.24187 3.76858 3.37022 GPRESSAVG: 554400 -15.1845 45.492 7.34394 44.3746 29.117 7.02975 10.5623 2.07978 4.0946 TIMING: 554400 CPU: 1728.46, 0.00313852/step Wall: 1728.46, 0.00313852/step, 3.87573 hours remaining, 234.246094 MB of memory in use. ENERGY: 554400 3970.1140 20657.7844 14553.3784 246.4604 -202924.8986 2532.7451 0.0000 0.0000 51932.0662 -109032.3502 298.4543 -160964.4163 -108661.2021 299.1205 -131.0784 -109.7231 763513.3775 6.1043 6.0090 PRESSURE: 554600 -67.7063 -134.294 139.059 -134.294 -143.513 92.3021 139.059 92.3023 -91.3294 GPRESSURE: 554600 12.9424 -60.9146 107.441 -49.7049 -127.741 42.5277 83.6812 49.9648 -121.231 PRESSAVG: 554600 -47.9076 -33.7655 17.7789 -33.7654 41.2206 25.0895 17.7789 25.0895 3.72213 GPRESSAVG: 554600 -46.8836 -32.4105 17.3755 -34.0929 41.3335 23.7571 15.8674 24.7384 2.48487 TIMING: 554600 CPU: 1729.09, 0.00311005/step Wall: 1729.09, 0.00311005/step, 3.8404 hours remaining, 234.246094 MB of memory in use. ENERGY: 554600 3985.9785 20686.5921 14478.8920 245.0496 -202937.4870 2521.7234 0.0000 0.0000 52052.3086 -108966.9428 299.1453 -161019.2514 -108606.7336 298.8306 -100.8495 -78.6765 763443.0458 -0.9883 -1.0217 PRESSURE: 554800 -139.257 -47.0352 115.063 -47.0355 43.0017 -143.967 115.063 -143.968 83.9669 GPRESSURE: 554800 -94.1125 -130.422 107.134 -70.8653 103.3 -169.662 118.892 -14.8055 76.603 PRESSAVG: 554800 17.9448 -66.7242 10.0985 -66.7242 26.7147 -72.2395 10.0985 -72.2395 -7.72073 GPRESSAVG: 554800 18.5751 -67.1345 10.3256 -65.5764 25.5166 -72.4649 11.9838 -70.4774 -6.80863 TIMING: 554800 CPU: 1729.71, 0.00311027/step Wall: 1729.71, 0.00311027/step, 3.84049 hours remaining, 234.246094 MB of memory in use. ENERGY: 554800 4056.1121 20403.4659 14519.9512 262.8632 -202858.5771 2806.4825 0.0000 0.0000 51899.5935 -108910.1088 298.2677 -160809.7023 -108549.8014 298.9696 -4.0963 28.5967 764306.0645 12.3129 12.4277 PRESSURE: 555000 55.6237 -124.288 83.2467 -124.287 44.2958 165.429 83.2456 165.43 327.351 GPRESSURE: 555000 154.975 -53.2496 47.9341 -183.723 82.0373 35.9495 63.4128 139.793 267.206 PRESSAVG: 555000 -15.9775 -53.8339 52.7447 -53.8339 37.4004 -12.0625 52.7447 -12.0624 -15.1702 GPRESSAVG: 555000 -16.6381 -53.8032 52.366 -52.4066 39.5665 -11.5909 50.8931 -14.209 -16.4345 TIMING: 555000 CPU: 1730.33, 0.00311176/step Wall: 1730.33, 0.00311176/step, 3.84216 hours remaining, 234.246094 MB of memory in use. ENERGY: 555000 3974.6988 20660.2640 14414.2305 242.6071 -203103.9321 2864.4817 0.0000 0.0000 52114.1301 -108833.5199 299.5006 -160947.6500 -108469.8343 299.4029 142.4235 168.0730 762596.8338 2.0842 2.1647 PRESSURE: 555200 29.8709 -8.70895 -98.3513 -8.70985 209.106 199.333 -98.3515 199.334 42.766 GPRESSURE: 555200 196.115 -36.0551 -164.583 30.029 190.847 121.271 -138.838 69.9331 -36.733 PRESSAVG: 555200 7.18282 -8.83475 107.572 -8.83486 16.3115 -49.0682 107.572 -49.0682 -3.50626 GPRESSAVG: 555200 8.44722 -10.4694 107.768 -10.245 15.4301 -50.1494 106.081 -46.4015 -3.92951 TIMING: 555200 CPU: 1730.95, 0.00310796/step Wall: 1730.95, 0.00310796/step, 3.83729 hours remaining, 234.246094 MB of memory in use. ENERGY: 555200 3963.2310 20625.3133 14472.9669 248.1299 -203501.7206 3106.1395 0.0000 0.0000 52120.9523 -108964.9879 299.5398 -161085.9401 -108611.0436 299.4838 93.9145 116.7429 760866.4182 6.6627 6.6493 PRESSURE: 555400 9.35514 34.4454 167.135 34.4452 -268.731 21.0137 167.135 21.0135 -289.98 GPRESSURE: 555400 -28.1595 -32.1943 252.697 8.4029 -199.834 30.6749 187.474 132.696 -224.37 PRESSAVG: 555400 -72.0263 36.5272 28.4329 36.5272 5.14216 -53.6378 28.433 -53.6378 6.24307 GPRESSAVG: 555400 -72.8548 37.6111 30.2066 37.0595 4.75313 -51.7241 28.367 -54.1856 7.5904 TIMING: 555400 CPU: 1731.58, 0.00312226/step Wall: 1731.58, 0.00312226/step, 3.85478 hours remaining, 234.246094 MB of memory in use. ENERGY: 555400 3941.0501 20454.6875 14437.8134 276.7135 -202705.0994 2493.4229 0.0000 0.0000 52283.4649 -108817.9471 300.4738 -161101.4120 -108461.9658 299.5557 -183.1188 -150.7879 762898.1284 -20.2137 -20.1704 PRESSURE: 555600 -143.696 -246.944 17.1358 -246.944 -85.1697 46.2757 17.136 46.2768 -29.1792 GPRESSURE: 555600 -74.1815 -214.23 108.895 -273.808 -7.03665 -62.7547 4.03403 -52.1236 -84.1194 PRESSAVG: 555600 -22.1395 -7.98276 -28.6406 -7.98276 -21.2192 19.2288 -28.6406 19.2288 14.4249 GPRESSAVG: 555600 -22.5412 -8.58312 -29.669 -7.97063 -20.1981 17.8385 -25.3328 19.8952 13.8743 TIMING: 555600 CPU: 1732.2, 0.0031176/step Wall: 1732.2, 0.0031176/step, 3.84885 hours remaining, 234.246094 MB of memory in use. ENERGY: 555600 3989.7282 20590.2926 14532.3124 255.8994 -203310.6698 3031.7986 0.0000 0.0000 51923.1164 -108987.5223 298.4029 -160910.6386 -108626.1566 299.4555 -86.0150 -55.1125 763046.5023 -9.6446 -9.6216 PRESSURE: 555800 -200.538 -45.0579 142.854 -45.0582 -7.82205 -206.276 142.854 -206.277 111.742 GPRESSURE: 555800 -179.592 -12.2505 170.067 -38.3543 7.52278 -176.336 109.424 -244.922 150.048 PRESSAVG: 555800 3.31692 9.61426 50.3345 9.61422 1.48961 12.6746 50.3345 12.6746 -36.3173 GPRESSAVG: 555800 3.22179 10.778 49.8855 8.80083 1.30151 12.2184 49.7608 12.7594 -36.0819 TIMING: 555800 CPU: 1732.82, 0.00309344/step Wall: 1732.82, 0.00309344/step, 3.81885 hours remaining, 234.246094 MB of memory in use. ENERGY: 555800 4018.0838 20516.4378 14543.3202 254.2769 -202984.4236 2867.7827 0.0000 0.0000 51979.8960 -108804.6262 298.7292 -160784.5222 -108444.5308 299.1545 -32.2062 -7.3407 763228.2554 -10.5036 -10.5195 PRESSURE: 556000 280.207 131.645 158.977 131.646 -204.231 -81.0122 158.977 -81.0118 219.022 GPRESSURE: 556000 329.792 9.53623 150.996 55.0652 -122.221 -24.2515 248.753 -142.795 185.885 PRESSAVG: 556000 -5.8848 -8.65243 6.88595 -8.65241 -23.0112 -1.51047 6.88598 -1.51045 6.26472 GPRESSAVG: 556000 -5.31894 -8.60654 7.50233 -9.48022 -23.4169 0.969923 6.84751 -3.93119 5.9855 TIMING: 556000 CPU: 1733.44, 0.00309121/step Wall: 1733.44, 0.00309121/step, 3.81593 hours remaining, 234.246094 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: 556000 3972.2796 20556.1421 14533.8095 246.6506 -202963.9187 2877.0905 0.0000 0.0000 52153.5279 -108624.4185 299.7270 -160777.9464 -108260.4796 299.8803 98.3327 131.1520 763616.8302 -7.5438 -7.5834 PRESSURE: 556200 -209.621 28.9213 391.754 28.921 -59.0419 -116.398 391.754 -116.398 -166.61 GPRESSURE: 556200 -142.626 25.9913 259.851 -4.44675 -57.5331 -86.5625 379.031 -128.314 -162.283 PRESSAVG: 556200 -6.52761 -28.971 25.9176 -28.9711 -2.45365 -24.0237 25.9177 -24.0236 -6.26378 GPRESSAVG: 556200 -6.19016 -29.5864 25.4945 -28.7816 -3.10423 -25.1111 24.9065 -20.2416 -6.5191 TIMING: 556200 CPU: 1734.06, 0.00310516/step Wall: 1734.06, 0.00310516/step, 3.83297 hours remaining, 234.246094 MB of memory in use. ENERGY: 556200 4021.1317 20679.2289 14513.1587 235.9506 -203233.7933 3027.7025 0.0000 0.0000 51894.3562 -108862.2646 298.2376 -160756.6209 -108502.5022 300.0084 -145.0911 -120.8143 763318.8151 -5.0817 -5.2712 LDB: ============= START OF LOAD BALANCING ============== 1746.53 LDB: ============== END OF LOAD BALANCING =============== 1746.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1746.54 LDB: ============= START OF LOAD BALANCING ============== 1746.85 LDB: Largest compute 7052 load 0.029091 is 14.9% of average load 0.194988 LDB: Average compute 0.004353 is 2.2% of average load 0.194988 LDB: TIME 1746.85 LOAD: AVG 0.194988 MAX 0.214933 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.734 MB LDB: TIME 1746.85 LOAD: AVG 0.194988 MAX 0.214933 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.738 MB LDB: TIME 1746.85 LOAD: AVG 0.194988 MAX 0.214933 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.738 MB LDB: ============== END OF LOAD BALANCING =============== 1746.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1746.86 PRESSURE: 556400 464.919 -42.8949 -120.827 -42.8961 329.337 -66.7944 -120.827 -66.7931 372.409 GPRESSURE: 556400 453.491 -43.2712 -183.726 -27.2021 454.452 10.3767 -75.5663 -53.3027 331.289 PRESSAVG: 556400 -34.9895 -73.3469 23.9597 -73.347 14.6548 9.57193 23.9597 9.57206 -39.8041 GPRESSAVG: 556400 -36.1608 -73.1493 21.5185 -73.6173 15.1948 8.89091 25.4262 8.7868 -39.4507 TIMING: 556400 CPU: 1734.69, 0.00316909/step Wall: 1734.69, 0.00316909/step, 3.91171 hours remaining, 235.078125 MB of memory in use. ENERGY: 556400 4036.2152 20613.8346 14549.9692 239.0146 -203204.1561 3010.8050 0.0000 0.0000 52078.9979 -108675.3195 299.2987 -160754.3174 -108317.7333 299.7536 388.8883 413.0774 761352.5755 -20.0463 -20.1389 PRESSURE: 556600 -263.723 45.5117 -41.1315 45.5113 -19.3163 77.0837 -41.1316 77.084 -78.8962 GPRESSURE: 556600 -84.9727 -39.2094 -40.9694 89.2799 -88.7771 88.9055 0.757676 -94.8415 -113.173 PRESSAVG: 556600 -15.2831 -13.3 -0.837279 -13.3 59.9776 -46.3588 -0.837216 -46.3589 1.83862 GPRESSAVG: 556600 -14.5976 -13.5863 1.78515 -9.97155 60.9154 -45.5225 -3.09481 -47.4306 0.790293 TIMING: 556600 CPU: 1735.31, 0.00311097/step Wall: 1735.31, 0.00311097/step, 3.8398 hours remaining, 235.078125 MB of memory in use. ENERGY: 556600 3977.1182 20584.1798 14521.0916 236.0520 -203002.1330 2369.2460 0.0000 0.0000 52435.0061 -108879.4393 301.3447 -161314.4454 -108517.2792 299.8517 -120.6450 -95.6409 762077.6989 15.5111 15.7027 PRESSURE: 556800 -86.636 -42.6931 138.432 -42.6931 -174.731 -62.7802 138.433 -62.7796 -291.669 GPRESSURE: 556800 -66.3016 -38.4271 183.987 31.364 -126.604 -149.081 -5.23397 36.9333 -299.5 PRESSAVG: 556800 -15.6107 10.477 14.3256 10.477 12.7404 -31.6069 14.3257 -31.6069 -0.710524 GPRESSAVG: 556800 -16.5327 10.7081 13.5171 7.90585 12.7549 -31.837 15.5786 -31.2124 0.17263 TIMING: 556800 CPU: 1735.93, 0.00309872/step Wall: 1735.93, 0.00309872/step, 3.82451 hours remaining, 235.078125 MB of memory in use. ENERGY: 556800 3956.3338 20617.1803 14477.1562 237.1880 -203071.1648 2794.6624 0.0000 0.0000 52230.3824 -108758.2616 300.1687 -160988.6440 -108402.3538 299.4975 -184.3455 -164.1352 763266.9401 -1.1936 -1.2017 PRESSURE: 557000 -14.3211 158.301 -13.5869 158.301 -485.227 -3.12873 -13.5873 -3.13024 -68.6758 GPRESSURE: 557000 49.9487 73.8896 -36.0124 135.894 -434.828 18.3052 -151.125 0.17704 -95.3051 PRESSAVG: 557000 44.6384 18.4945 49.4481 18.4945 -20.7335 27.8884 49.4481 27.8884 28.0486 GPRESSAVG: 557000 45.1577 17.7532 49.1676 20.4877 -20.2067 28.1102 48.2478 28.1791 26.7061 TIMING: 557000 CPU: 1736.56, 0.00312124/step Wall: 1736.56, 0.00312124/step, 3.85213 hours remaining, 235.335938 MB of memory in use. ENERGY: 557000 3937.6824 20430.6753 14500.4747 257.6733 -202642.3988 2331.6720 0.0000 0.0000 52285.2584 -108898.9627 300.4841 -161184.2210 -108524.8845 300.0616 -189.4080 -160.0616 762392.0971 17.3178 17.2190 PRESSURE: 557200 78.1801 62.703 -196.761 62.7032 63.7924 -227.491 -196.76 -227.493 261.778 GPRESSURE: 557200 177.774 64.5797 -160.322 118.067 -5.9036 -197.046 -149.102 -172.658 338.757 PRESSAVG: 557200 -3.23194 25.7803 48.5647 25.7804 -6.44899 -7.13187 48.5647 -7.1318 0.80184 GPRESSAVG: 557200 -3.81402 26.5057 49.3648 24.2052 -6.91399 -6.62784 50.8178 -7.5177 2.30555 TIMING: 557200 CPU: 1737.18, 0.00312607/step Wall: 1737.18, 0.00312607/step, 3.85791 hours remaining, 235.335938 MB of memory in use. ENERGY: 557200 3891.7513 20480.7230 14505.6019 236.9634 -202929.5517 2682.4730 0.0000 0.0000 52049.1120 -109082.9271 299.1270 -161132.0391 -108719.6843 299.4156 134.5836 170.2092 762789.1543 -2.9597 -2.8075 PRESSURE: 557400 -36.3305 -78.6734 -32.7544 -78.6728 -285.942 35.9967 -32.755 35.9961 -15.3209 GPRESSURE: 557400 25.4309 -11.9519 -70.7318 -106.069 -184.234 -17.0354 -45.0777 66.3713 -99.4593 PRESSAVG: 557400 -41.1101 49.2494 -15.4007 49.2494 32.1725 -0.629889 -15.4008 -0.629868 1.76077 GPRESSAVG: 557400 -38.9944 51.5074 -16.8265 48.6584 31.2832 -1.47784 -14.4128 0.192999 0.820278 TIMING: 557400 CPU: 1737.81, 0.00311921/step Wall: 1737.81, 0.00311921/step, 3.84927 hours remaining, 235.335938 MB of memory in use. ENERGY: 557400 3976.2392 20530.0170 14503.0634 245.6056 -203181.9396 2628.7037 0.0000 0.0000 52157.0885 -109141.2221 299.7475 -161298.3106 -108775.7107 299.5003 -112.5311 -86.0874 760801.6959 -2.3923 -2.2970 PRESSURE: 557600 204.717 67.7456 32.2625 67.7449 309.421 -16.0729 32.2616 -16.0734 68.0095 GPRESSURE: 557600 117.848 -20.0323 25.2828 44.5367 447.938 -69.2226 6.01837 -9.91672 88.3944 PRESSAVG: 557600 -53.6405 6.66242 -20.8788 6.66244 70.2539 12.3202 -20.8788 12.3203 3.6 GPRESSAVG: 557600 -55.2754 5.8001 -18.5605 6.55565 70.9386 14.1144 -24.5653 10.8645 4.6243 TIMING: 557600 CPU: 1738.43, 0.00311037/step Wall: 1738.43, 0.00311037/step, 3.8382 hours remaining, 235.335938 MB of memory in use. ENERGY: 557600 4026.6032 20717.0568 14492.3248 224.9352 -203714.3437 3209.5563 0.0000 0.0000 52076.8644 -108967.0030 299.2865 -161043.8674 -108618.2194 299.4359 194.0493 218.0600 760135.5217 6.7378 6.7625 PRESSURE: 557800 -483.392 35.8012 -248.14 35.8006 -525.897 71.1707 -248.14 71.1716 -173.627 GPRESSURE: 557800 -472.105 -8.40706 -202.509 57.8982 -474.457 -7.13824 -7.04086 -75.9812 -167.891 PRESSAVG: 557800 -62.3274 9.13093 -5.22366 9.13094 32.682 -17.4544 -5.22367 -17.4544 -5.97095 GPRESSAVG: 557800 -61.242 7.50946 -5.58016 11.1409 32.6683 -18.9194 -3.23601 -18.9193 -7.23703 TIMING: 557800 CPU: 1739.05, 0.00311588/step Wall: 1739.05, 0.00311588/step, 3.84482 hours remaining, 235.335938 MB of memory in use. ENERGY: 557800 4017.4909 20646.2489 14482.8888 237.0010 -203374.5751 2638.7933 0.0000 0.0000 52160.8864 -109191.2658 299.7693 -161352.1522 -108834.4043 299.7492 -394.3051 -371.4843 763726.1990 -11.8721 -11.9369 PRESSURE: 558000 -163.018 73.4182 -134.853 73.4177 417.201 -72.0875 -134.853 -72.0866 422.869 GPRESSURE: 558000 -4.93879 36.669 -81.7703 -25.135 353.514 -221.807 -151.879 60.6549 397.633 PRESSAVG: 558000 -18.1153 54.2974 -27.8933 54.2974 -1.04683 2.87993 -27.8932 2.87993 5.25921 GPRESSAVG: 558000 -18.4495 53.0739 -27.6908 53.9972 -1.36655 1.8286 -29.0078 5.14028 5.15569 TIMING: 558000 CPU: 1739.68, 0.00312016/step Wall: 1739.68, 0.00312016/step, 3.84993 hours remaining, 235.335938 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: 558000 3960.6907 20639.7774 14517.5049 251.9124 -203744.2478 3157.7855 0.0000 0.0000 51951.6011 -109264.9759 298.5666 -161216.5770 -108908.2282 299.2084 225.6838 248.7359 762702.9251 -4.6343 -4.8868 PRESSURE: 558200 0.540701 141.736 -48.116 141.737 -68.7486 -72.3061 -48.1161 -72.3059 -138.236 GPRESSURE: 558200 101.725 206.714 -43.93 93.1439 -39.0162 -101.955 -102.878 -6.6908 -185.229 PRESSAVG: 558200 -25.6471 34.1101 -18.9413 34.1102 -14.1606 15.0109 -18.9413 15.011 31.3919 GPRESSAVG: 558200 -25.2859 34.8259 -18.7502 34.4682 -14.5375 15.4498 -19.0613 16.042 31.4889 TIMING: 558200 CPU: 1740.3, 0.00310755/step Wall: 1740.3, 0.00310755/step, 3.8342 hours remaining, 235.335938 MB of memory in use. ENERGY: 558200 4023.6233 20533.8318 14432.3833 266.5675 -203267.4790 2976.3763 0.0000 0.0000 51790.5510 -109244.1459 297.6410 -161034.6969 -108873.4981 298.7088 -68.8145 -40.8403 763629.3212 -2.8053 -2.7782 PRESSURE: 558400 -72.5404 -328.489 -106.665 -328.488 114.141 80.5901 -106.665 80.5902 -440.486 GPRESSURE: 558400 -7.44254 -322.565 -54.0326 -240.707 75.1617 177.14 -150.42 -86.7771 -406.578 PRESSAVG: 558400 -24.0387 -12.3015 9.71139 -12.3015 53.5426 33.2898 9.7114 33.2899 -9.08404 GPRESSAVG: 558400 -25.161 -13.245 8.89343 -13.7278 52.5704 32.6592 10.2799 32.5211 -7.85031 TIMING: 558400 CPU: 1740.92, 0.00310185/step Wall: 1740.92, 0.00310185/step, 3.82699 hours remaining, 235.335938 MB of memory in use. ENERGY: 558400 3985.6706 20671.7654 14521.0152 239.2813 -203171.6950 2636.0389 0.0000 0.0000 52015.2435 -109102.6800 298.9323 -161117.9235 -108740.2408 298.6804 -132.9616 -112.9529 763452.3427 6.8066 6.5197 PRESSURE: 558600 81.4244 145.255 -146.652 145.256 -155.094 125.453 -146.651 125.454 -475.761 GPRESSURE: 558600 129.044 37.7945 -126.044 73.0547 -124.465 138.477 -74.3411 96.3886 -454.926 PRESSAVG: 558600 46.7859 -33.1095 22.0277 -33.1095 -53.076 69.4539 22.0277 69.4539 13.9913 GPRESSAVG: 558600 46.1904 -32.3719 21.8478 -31.8571 -51.3564 69.7111 23.1181 69.3448 13.0426 TIMING: 558600 CPU: 1741.54, 0.00312641/step Wall: 1741.54, 0.00312641/step, 3.85712 hours remaining, 235.335938 MB of memory in use. ENERGY: 558600 4018.3120 20628.3051 14472.7372 254.7920 -203304.0094 2808.4366 0.0000 0.0000 52017.1368 -109104.2897 298.9432 -161121.4265 -108749.9565 299.3404 -183.1435 -150.1157 763254.4140 2.5670 2.6255 PRESSURE: 558800 -273.171 -57.921 -64.7713 -57.921 651.401 80.0333 -64.7711 80.0337 58.9379 GPRESSURE: 558800 -158.643 -32.8705 -66.1484 29.3382 502.524 127.504 -124.571 -3.94962 163.21 PRESSAVG: 558800 -0.623472 -24.266 -36.8162 -24.266 -30.5539 64.7944 -36.8162 64.7944 -20.0453 GPRESSAVG: 558800 -1.17092 -23.2622 -36.515 -25.2722 -30.9012 63.783 -38.8029 64.039 -19.925 TIMING: 558800 CPU: 1742.16, 0.00308758/step Wall: 1742.16, 0.00308758/step, 3.80905 hours remaining, 235.335938 MB of memory in use. ENERGY: 558800 3958.4834 20685.3026 14432.3847 243.3439 -202781.4154 2515.6365 0.0000 0.0000 51868.8862 -109077.3782 298.0912 -160946.2643 -108725.7643 299.0513 145.7228 169.0304 763116.6394 -17.0742 -17.3324 PRESSURE: 559000 -68.3327 -143.783 -65.5358 -143.782 -379.885 117.316 -65.5355 117.315 57.6093 GPRESSURE: 559000 -62.1996 -174.155 -51.8706 -104.642 -195.1 45.7331 -9.11243 152.873 -30.968 PRESSAVG: 559000 1.57277 -3.79584 -17.8948 -3.79587 -42.7257 31.0674 -17.8948 31.0674 7.39874 GPRESSAVG: 559000 3.36944 -4.03076 -18.6858 -5.83616 -43.1875 32.4169 -17.6947 30.4751 6.73663 TIMING: 559000 CPU: 1742.78, 0.00309802/step Wall: 1742.78, 0.00309802/step, 3.82175 hours remaining, 235.335938 MB of memory in use. ENERGY: 559000 4125.8399 20314.0027 14473.8491 260.5695 -202823.9508 2836.5900 0.0000 0.0000 51700.2101 -109112.8896 297.1218 -160813.0996 -108760.0289 298.5371 -130.2029 -96.0891 764692.2688 -11.2514 -11.0271 PRESSURE: 559200 -46.9942 -325.312 -65.8619 -325.313 131.112 31.0958 -65.8609 31.0945 -382.504 GPRESSURE: 559200 -48.0363 -274.889 -86.4803 -229.799 123.711 24.8271 -100.047 51.2516 -304.446 PRESSAVG: 559200 -1.16376 -32.9513 -34.8984 -32.9513 -10.0987 -7.79155 -34.8985 -7.79159 8.08202 GPRESSAVG: 559200 -2.00908 -34.3283 -34.7993 -30.8951 -9.99596 -9.32232 -33.4651 -9.27422 7.81346 TIMING: 559200 CPU: 1743.4, 0.00310712/step Wall: 1743.4, 0.00310712/step, 3.83281 hours remaining, 235.335938 MB of memory in use. ENERGY: 559200 4061.2761 20512.7638 14430.4436 253.2539 -203380.2813 2967.1870 0.0000 0.0000 51910.3503 -109245.0066 298.3295 -161155.3568 -108883.6956 298.6370 -99.4621 -76.2574 763382.5035 -1.0601 -1.3972 PRESSURE: 559400 226.51 18.9662 -71.2692 18.9664 -171.661 53.4379 -71.2693 53.4367 184.583 GPRESSURE: 559400 207.255 -1.88202 -49.5813 -10.783 -67.3095 -32.397 -50.6625 91.6207 165.562 PRESSAVG: 559400 12.2958 -34.5123 -53.4695 -34.5123 2.59007 19.4713 -53.4696 19.4713 3.83901 GPRESSAVG: 559400 11.3811 -32.7436 -54.257 -35.0628 2.57947 20.461 -51.4862 22.4151 4.99372 TIMING: 559400 CPU: 1744.02, 0.00310697/step Wall: 1744.02, 0.00310697/step, 3.83245 hours remaining, 235.335938 MB of memory in use. ENERGY: 559400 3894.1385 20479.8730 14413.4135 230.8608 -203479.3880 2995.8414 0.0000 0.0000 52202.2660 -109262.9949 300.0071 -161465.2609 -108890.9962 298.8880 79.8108 101.8360 763691.9218 6.2416 6.3181 PRESSURE: 559600 -96.6468 -186.71 -21.4142 -186.709 -315.833 196.604 -21.4154 196.603 -205.522 GPRESSURE: 559600 10.2763 -220.773 143.673 -183.912 -239.736 165.665 -27.2019 64.55 -317.841 PRESSAVG: 559600 27.2229 -18.3169 -11.6308 -18.3168 -54.3056 -36.5615 -11.6308 -36.5615 -21.028 GPRESSAVG: 559600 27.4999 -21.8285 -10.8855 -19.5126 -53.2923 -37.7523 -13.4726 -36.8687 -22.3736 TIMING: 559600 CPU: 1744.64, 0.00310345/step Wall: 1744.64, 0.00310345/step, 3.82793 hours remaining, 235.335938 MB of memory in use. ENERGY: 559600 3999.7498 20757.6824 14394.9721 231.3061 -203295.8471 2772.6972 0.0000 0.0000 52084.9702 -109054.4693 299.3330 -161139.4395 -108701.8809 298.6117 -206.0006 -182.4334 763876.6175 -16.0369 -16.0553 PRESSURE: 559800 -179.871 -182.72 206.554 -182.72 -265.699 89.538 206.553 89.5376 -354.794 GPRESSURE: 559800 -145.794 -166.104 191.627 -212.859 -239.153 38.7809 150.366 191.25 -311.281 PRESSAVG: 559800 18.8479 -37.6872 4.91838 -37.6872 -24.2851 41.4554 4.91833 41.4554 10.8275 GPRESSAVG: 559800 18.7061 -35.8033 5.03448 -37.5422 -24.2534 43.7339 4.28007 41.3458 10.8509 TIMING: 559800 CPU: 1745.27, 0.00310972/step Wall: 1745.27, 0.00310972/step, 3.83549 hours remaining, 235.335938 MB of memory in use. ENERGY: 559800 3994.2667 20537.2691 14529.7546 239.6840 -203010.7899 2558.5296 0.0000 0.0000 52349.2939 -108801.9920 300.8521 -161151.2859 -108440.3892 299.2413 -266.7880 -232.0760 764102.8844 1.7968 1.7679 PRESSURE: 560000 185.163 -93.7328 -81.6734 -93.7324 70.0718 -132.577 -81.6736 -132.576 -36.5361 GPRESSURE: 560000 152.558 -31.6992 29.1352 2.22245 139.993 -87.3403 -51.2393 -166.004 12.9343 PRESSAVG: 560000 30.302 -8.16153 55.5355 -8.16146 14.6717 -14.2854 55.5355 -14.2855 20.8253 GPRESSAVG: 560000 30.4144 -9.62684 55.9017 -6.96511 13.4047 -14.9738 54.9144 -14.8722 22.004 TIMING: 560000 CPU: 1745.89, 0.00312461/step Wall: 1745.89, 0.00312461/step, 3.85368 hours remaining, 235.335938 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: 560000 4006.0824 20426.2436 14455.4699 249.9780 -203041.6467 2942.1868 0.0000 0.0000 52005.9091 -108955.7770 298.8787 -160961.6861 -108598.3639 299.4716 72.8997 101.8281 764199.8156 21.9330 21.9410 PRESSURE: 560200 -28.4137 77.8184 289.726 77.8182 43.5157 -124.162 289.726 -124.162 218.523 GPRESSURE: 560200 -17.9232 5.38866 212.275 89.6535 78.0141 -39.9407 200.743 -26.4024 249.032 PRESSAVG: 560200 34.3477 22.4779 51.5261 22.4779 -20.0423 6.23216 51.5261 6.23217 11.0198 GPRESSAVG: 560200 34.3163 24.8729 51.6299 21.969 -19.8593 7.15952 53.0352 9.72449 10.5035 TIMING: 560200 CPU: 1746.52, 0.00312794/step Wall: 1746.52, 0.00312795/step, 3.85763 hours remaining, 235.335938 MB of memory in use. ENERGY: 560200 3961.9202 20498.2120 14524.7795 240.5740 -202431.4625 2553.4874 0.0000 0.0000 51962.9389 -108689.5505 298.6317 -160652.4894 -108335.9053 299.7584 77.8749 103.0409 764845.3088 8.4417 8.3202 LDB: ============= START OF LOAD BALANCING ============== 1759 LDB: ============== END OF LOAD BALANCING =============== 1759 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1759 LDB: ============= START OF LOAD BALANCING ============== 1759.31 LDB: Largest compute 7052 load 0.030404 is 15.6% of average load 0.194925 LDB: Average compute 0.004367 is 2.2% of average load 0.194925 LDB: TIME 1759.32 LOAD: AVG 0.194925 MAX 0.215828 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.719 MB LDB: TIME 1759.32 LOAD: AVG 0.194925 MAX 0.215828 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.719 MB LDB: TIME 1759.32 LOAD: AVG 0.194925 MAX 0.215828 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.719 MB LDB: ============== END OF LOAD BALANCING =============== 1759.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1759.33 PRESSURE: 560400 -19.7239 11.7648 -29.1216 11.7647 -221.101 -1.90255 -29.1217 -1.90231 -307.923 GPRESSURE: 560400 19.6904 -15.3361 53.6993 -81.886 -236.921 26.0278 -53.7485 -6.05293 -258.849 PRESSAVG: 560400 4.15269 -26.5992 -8.6648 -26.5992 -18.5657 -39.8099 -8.66478 -39.8099 -15.9195 GPRESSAVG: 560400 4.18102 -27.7149 -8.02884 -25.3627 -19.4865 -40.6647 -10.3837 -41.6789 -15.2914 TIMING: 560400 CPU: 1747.16, 0.00321796/step Wall: 1747.16, 0.00321796/step, 3.96846 hours remaining, 234.746094 MB of memory in use. ENERGY: 560400 4031.1940 20577.5693 14473.5040 236.4939 -202829.5011 2508.1097 0.0000 0.0000 52495.7386 -108506.8916 301.6937 -161002.6302 -108143.2057 299.9932 -182.9161 -158.6930 765582.8715 -10.1108 -10.1989 PRESSURE: 560600 -114.413 -63.98 -228.085 -63.9801 18.2551 76.1073 -228.085 76.1081 302.923 GPRESSURE: 560600 -22.4922 53.6652 -212.265 -35.293 -31.3905 10.394 -279.964 12.8188 344.194 PRESSAVG: 560600 16.1105 4.09518 -37.0019 4.09524 -72.874 -42.8015 -37.0019 -42.8015 -5.28043 GPRESSAVG: 560600 14.9492 4.06842 -36.0391 3.51003 -71.3032 -43.0837 -37.8621 -44.1956 -5.58817 TIMING: 560600 CPU: 1747.78, 0.00311436/step Wall: 1747.78, 0.00311436/step, 3.84052 hours remaining, 234.949219 MB of memory in use. ENERGY: 560600 4024.1218 20567.9415 14478.9023 243.3019 -203232.4608 3002.0715 0.0000 0.0000 52341.4726 -108574.6491 300.8072 -160916.1217 -108209.5493 300.2220 68.9215 96.7703 765383.9824 -20.6813 -20.6474 PRESSURE: 560800 -347.177 -93.0906 -159.416 -93.0904 -206.392 93.2214 -159.416 93.2211 209.082 GPRESSURE: 560800 -207.305 50.0151 -123.744 -137.729 -188.907 94.3016 -125.913 -14.3966 122.603 PRESSAVG: 560800 -17.1653 -21.1606 -34.0618 -21.1606 -6.56204 24.3836 -34.0618 24.3836 14.5968 GPRESSAVG: 560800 -16.2086 -19.9696 -36.0265 -23.7354 -7.17457 25.5949 -32.3161 24.3399 13.8727 TIMING: 560800 CPU: 1748.4, 0.00309864/step Wall: 1748.4, 0.00309864/step, 3.82097 hours remaining, 234.949219 MB of memory in use. ENERGY: 560800 4010.4835 20606.4515 14453.7464 236.9900 -202978.8328 2714.7356 0.0000 0.0000 52323.4361 -108632.9897 300.7035 -160956.4258 -108261.5846 300.3090 -114.8292 -91.2029 763703.7732 -3.0435 -3.1702 PRESSURE: 561000 138.951 -15.5773 -263.01 -15.5771 -272.304 -62.9199 -263.01 -62.9201 200.587 GPRESSURE: 561000 176.036 25.5146 -310.005 47.5791 -222.703 -86.5238 -152.904 20.5131 192.273 PRESSAVG: 561000 34.5768 -12.5366 -25.119 -12.5366 22.6131 -8.00989 -25.119 -8.00984 15.1136 GPRESSAVG: 561000 34.8159 -14.2903 -25.9269 -10.3246 22.9452 -10.1245 -25.2859 -7.58909 14.9577 TIMING: 561000 CPU: 1749.02, 0.00310464/step Wall: 1749.02, 0.00310464/step, 3.82819 hours remaining, 234.949219 MB of memory in use. ENERGY: 561000 3965.6613 20550.5380 14535.7658 263.8057 -202975.6885 2827.1325 0.0000 0.0000 52094.5787 -108738.2065 299.3883 -160832.7851 -108375.8956 300.4572 22.4112 48.5354 763747.4798 24.1012 24.2396 PRESSURE: 561200 163.483 -80.1234 -101.884 -80.1228 -49.0462 -109.734 -101.883 -109.734 56.4122 GPRESSURE: 561200 181.067 -72.7754 3.1762 -170.962 -59.3038 -139.103 -212.874 -16.1357 143.886 PRESSAVG: 561200 13.5442 -24.7155 -3.37362 -24.7156 -3.82931 7.3217 -3.37364 7.32173 6.83764 GPRESSAVG: 561200 13.9592 -23.9805 -2.34708 -25.425 -5.12158 7.4019 -5.19342 7.51436 7.21754 TIMING: 561200 CPU: 1749.64, 0.00310171/step Wall: 1749.64, 0.00310171/step, 3.82441 hours remaining, 234.949219 MB of memory in use. ENERGY: 561200 3930.9633 20390.1292 14424.7988 260.6026 -203002.7459 2847.7872 0.0000 0.0000 52280.8376 -108867.6272 300.4587 -161148.4648 -108493.0066 299.7713 56.9496 88.5494 764797.8926 5.5175 5.3517 PRESSURE: 561400 171.097 -77.0653 -42.6009 -77.0655 32.8882 38.9421 -42.5997 38.9418 94.2917 GPRESSURE: 561400 260.458 -16.6103 13.1583 36.8204 -10.4983 44.9037 35.1143 -176.86 146.378 PRESSAVG: 561400 72.7646 -6.25874 -44.7697 -6.25878 -67.2732 -29.1271 -44.7697 -29.127 -13.4139 GPRESSAVG: 561400 70.577 -6.79748 -45.1527 -5.07089 -65.409 -28.6451 -43.1903 -30.1789 -12.9093 TIMING: 561400 CPU: 1750.26, 0.00309477/step Wall: 1750.26, 0.00309477/step, 3.81568 hours remaining, 234.949219 MB of memory in use. ENERGY: 561400 3948.9389 20552.2892 14417.1519 249.5095 -202999.2557 2801.2827 0.0000 0.0000 51956.6567 -109073.4266 298.5956 -161030.0834 -108721.7937 299.4604 99.4258 132.1124 763743.7796 -2.6408 -2.5804 PRESSURE: 561600 -303.651 -22.3461 153.111 -22.346 -216.439 0.505345 153.111 0.505694 -176.382 GPRESSURE: 561600 -199.203 -86.4214 172.48 -27.75 -208.977 -16.5822 130.421 53.5923 -176.368 PRESSAVG: 561600 -35.4609 -11.704 3.42957 -11.704 49.5996 25.902 3.42949 25.902 8.27375 GPRESSAVG: 561600 -34.6814 -11.4053 2.9736 -13.7916 48.6739 25.7029 3.97813 26.8425 8.57398 TIMING: 561600 CPU: 1750.88, 0.0031064/step Wall: 1750.88, 0.0031064/step, 3.82984 hours remaining, 234.949219 MB of memory in use. ENERGY: 561600 3970.5227 20468.2353 14459.5153 254.5923 -203035.2149 2680.6045 0.0000 0.0000 51910.1604 -109291.5844 298.3284 -161201.7449 -108927.0371 298.1238 -232.1573 -194.8492 762141.5943 7.4708 7.5222 PRESSURE: 561800 -251.42 29.3565 -58.6509 29.3563 27.8003 -230.471 -58.6509 -230.472 11.2586 GPRESSURE: 561800 -239.372 20.0186 -134.698 105.809 96.1913 -273.206 -60.0513 -301.157 -22.754 PRESSAVG: 561800 -4.60756 -23.3425 34.5321 -23.3425 0.350575 -0.305036 34.532 -0.304952 21.5421 GPRESSAVG: 561800 -4.67157 -25.8493 36.0369 -21.3118 0.020734 -0.640307 32.8173 -1.04882 21.3564 TIMING: 561800 CPU: 1751.5, 0.00310448/step Wall: 1751.5, 0.00310448/step, 3.82731 hours remaining, 234.949219 MB of memory in use. ENERGY: 561800 4033.6693 20535.6694 14522.1589 248.2919 -203107.3832 2591.9506 0.0000 0.0000 51797.1566 -109378.4864 297.6790 -161175.6429 -109012.0405 297.7422 -70.7871 -55.3116 763933.2934 5.7617 5.5685 PRESSURE: 562000 -42.7486 22.3062 3.45704 22.3052 227.526 -128.476 3.45584 -128.477 79.6738 GPRESSURE: 562000 3.11583 153.239 -50.5836 -15.7281 287.27 -147.63 -50.6472 -154.39 62.2562 PRESSAVG: 562000 44.4755 -33.3737 -33.5158 -33.3737 -42.7077 8.09115 -33.5157 8.09122 -1.90138 GPRESSAVG: 562000 44.5661 -31.0451 -33.9198 -35.5906 -42.2165 9.0787 -33.7855 7.92371 -2.63278 TIMING: 562000 CPU: 1752.13, 0.00310389/step Wall: 1752.13, 0.00310389/step, 3.82641 hours remaining, 234.949219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 562000 3993.7265 20503.2782 14498.8636 240.3094 -203424.6567 3010.8128 0.0000 0.0000 51876.0680 -109301.5981 298.1325 -161177.6662 -108933.9291 298.0399 88.1505 117.5474 763866.5540 -0.0445 -0.0944 PRESSURE: 562200 -113.809 157.408 110.801 157.409 -351.306 -28.0692 110.8 -28.0694 -147.915 GPRESSURE: 562200 -61.124 164.749 113.826 144.835 -231.136 -18.6115 105.031 37.1257 -225.058 PRESSAVG: 562200 27.8472 6.98899 8.58466 6.98895 -28.4672 -57.6202 8.5846 -57.6202 -11.2116 GPRESSAVG: 562200 27.9185 6.47743 6.60485 8.34277 -28.3687 -57.3132 10.0787 -58.6803 -11.0618 TIMING: 562200 CPU: 1752.75, 0.00310551/step Wall: 1752.75, 0.00310551/step, 3.82823 hours remaining, 234.949219 MB of memory in use. ENERGY: 562200 3976.9933 20576.0702 14471.6625 255.5650 -202744.2475 2371.1866 0.0000 0.0000 51886.1251 -109206.6448 298.1903 -161092.7699 -108847.3650 298.8275 -204.3435 -172.4394 764848.9952 -3.9439 -3.8373 PRESSURE: 562400 134.695 3.95489 126.89 3.95496 -427.087 -95.2397 126.891 -95.2408 -86.94 GPRESSURE: 562400 237.472 38.9886 104.285 69.3088 -487.612 46.1536 100.044 -100.198 -45.139 PRESSAVG: 562400 42.4994 17.3578 31.2954 17.3579 -50.5216 -27.2229 31.2954 -27.2228 -10.7 GPRESSAVG: 562400 41.8092 17.7831 32.8962 17.267 -51.0933 -26.1837 30.5912 -25.1081 -9.58849 TIMING: 562400 CPU: 1753.37, 0.00310958/step Wall: 1753.37, 0.00310957/step, 3.83307 hours remaining, 234.949219 MB of memory in use. ENERGY: 562400 3969.2073 20592.3037 14399.0560 245.6013 -203176.7255 2841.2726 0.0000 0.0000 51919.1299 -109210.1548 298.3800 -161129.2847 -108855.7020 298.6840 -126.4439 -98.4265 764089.5593 -6.2407 -6.2909 PRESSURE: 562600 192.609 -149.259 450.997 -149.26 216.931 82.1679 450.997 82.169 187.207 GPRESSURE: 562600 319.61 -141.465 426.454 -105.725 138.246 142.579 358.537 77.0772 218.94 PRESSAVG: 562600 45.4335 -8.72237 45.8635 -8.72232 -47.3893 47.3645 45.8635 47.3645 18.5654 GPRESSAVG: 562600 46.4605 -8.9073 44.7027 -9.71286 -48.5755 46.2093 46.8344 48.1752 18.0202 TIMING: 562600 CPU: 1753.99, 0.00310158/step Wall: 1753.99, 0.00310158/step, 3.82304 hours remaining, 234.949219 MB of memory in use. ENERGY: 562600 4000.3844 20479.2064 14484.0685 252.6642 -203587.5145 3168.3517 0.0000 0.0000 52029.1390 -109173.7003 299.0122 -161202.8393 -108820.4471 298.5393 198.9155 225.5985 764644.1726 5.5365 5.3017 PRESSURE: 562800 139.752 -26.267 106.289 -26.2676 -188.674 39.2474 106.289 39.2472 -258.556 GPRESSURE: 562800 125.629 50.4942 39.8624 103.367 -155.963 65.9359 141.685 -29.3745 -190.83 PRESSAVG: 562800 68.1256 11.134 8.31299 11.134 -99.9182 46.6218 8.31299 46.6218 -11.1381 GPRESSAVG: 562800 67.0629 11.5829 6.80178 9.34604 -97.9417 46.2931 8.12619 43.5274 -12.1334 TIMING: 562800 CPU: 1754.61, 0.00309314/step Wall: 1754.61, 0.00309314/step, 3.81247 hours remaining, 234.949219 MB of memory in use. ENERGY: 562800 3933.0177 20538.2087 14457.1762 237.7015 -203329.9381 2832.6081 0.0000 0.0000 52086.1968 -109245.0291 299.3401 -161331.2258 -108878.8024 298.7643 -102.4925 -73.7213 764474.2244 -14.3103 -14.3374 PRESSURE: 563000 134.982 -7.42248 -355.544 -7.42217 133.627 -227.018 -355.544 -227.018 237.547 GPRESSURE: 563000 164.145 -52.8518 -321.291 15.7749 136.443 -313.73 -305.896 -144.548 268.106 PRESSAVG: 563000 -13.3771 10.1301 -20.3163 10.1301 -13.2735 27.9292 -20.3164 27.9293 -18.698 GPRESSAVG: 563000 -12.58 8.79193 -19.5472 11.2001 -13.8189 26.5973 -20.4303 29.7187 -18.577 TIMING: 563000 CPU: 1755.23, 0.00311007/step Wall: 1755.23, 0.00311007/step, 3.83317 hours remaining, 234.949219 MB of memory in use. ENERGY: 563000 3996.7629 20454.5102 14424.6283 239.0402 -203790.3263 3199.9244 0.0000 0.0000 52080.0883 -109395.3719 299.3050 -161475.4602 -109035.6580 298.7587 168.7187 189.5648 761528.2533 -15.1162 -14.9920 PRESSURE: 563200 -599.007 108.765 45.6197 108.765 -150.281 160.785 45.6195 160.783 -216.938 GPRESSURE: 563200 -478.262 -22.5361 20.6795 -61.1544 -194.372 141.642 48.3338 197.966 -214.133 PRESSAVG: 563200 25.2635 -2.24812 -4.46573 -2.24815 -28.6622 -3.28768 -4.46565 -3.2877 18.4558 GPRESSAVG: 563200 26.1619 -2.70049 -4.09318 -2.84482 -29.2048 -1.43585 -3.91372 -4.06593 17.4439 TIMING: 563200 CPU: 1755.85, 0.00309481/step Wall: 1755.85, 0.00309481/step, 3.81418 hours remaining, 234.949219 MB of memory in use. ENERGY: 563200 3970.5720 20719.8703 14510.0047 248.3857 -202898.9227 2532.8027 0.0000 0.0000 51666.2101 -109251.0772 296.9264 -160917.2874 -108905.4140 298.8141 -322.0750 -295.5889 763843.8972 5.0190 4.8003 PRESSURE: 563400 189.232 278.163 128.608 278.163 -17.2628 174.237 128.608 174.236 67.5814 GPRESSURE: 563400 247.991 305.909 88.315 317.181 -94.0799 82.3462 48.5187 78.6512 151.123 PRESSAVG: 563400 15.9193 14.8409 49.5491 14.8409 -24.3808 35.5735 49.5491 35.5734 12.5759 GPRESSAVG: 563400 14.3499 16.9921 49.6851 16.5469 -24.413 34.7167 47.0178 34.5765 13.8929 TIMING: 563400 CPU: 1756.47, 0.00310214/step Wall: 1756.47, 0.00310214/step, 3.82304 hours remaining, 234.949219 MB of memory in use. ENERGY: 563400 4024.2078 20653.7214 14489.8364 236.3522 -203315.8025 3001.7097 0.0000 0.0000 51974.8921 -108935.0830 298.7004 -160909.9751 -108575.8107 299.1859 79.8501 101.6780 762750.3946 1.3715 1.2766 PRESSURE: 563600 -3.01473 -24.8396 -7.26765 -24.8389 -385.259 -136.748 -7.26702 -136.748 -133.244 GPRESSURE: 563600 65.1815 -14.5133 8.11606 21.3552 -336.466 -309.974 77.7031 126.928 -153.57 PRESSAVG: 563600 41.311 35.3071 25.9434 35.3072 -58.9403 16.4762 25.9433 16.4762 -2.53154 GPRESSAVG: 563600 42.1045 33.0496 25.899 35.7092 -59.6314 16.1523 27.8026 19.0566 -2.93748 TIMING: 563600 CPU: 1757.09, 0.00310308/step Wall: 1757.09, 0.00310308/step, 3.82403 hours remaining, 234.949219 MB of memory in use. ENERGY: 563600 3978.5187 20684.1172 14457.2220 264.5483 -202916.2909 2656.5403 0.0000 0.0000 52083.2551 -108792.0893 299.3232 -160875.3444 -108433.3394 299.4482 -173.8390 -141.6179 764318.4901 -6.7203 -6.8215 PRESSURE: 563800 -61.284 100.641 128.04 100.641 -59.9958 185.143 128.041 185.143 -353.169 GPRESSURE: 563800 28.5198 55.2841 161.605 75.4305 -59.7719 184.928 151.156 188.255 -351.846 PRESSAVG: 563800 33.2154 24.7128 34.1525 24.7128 -24.4696 32.0365 34.1525 32.0364 -7.2296 GPRESSAVG: 563800 32.5644 25.8582 32.9751 23.8979 -24.2283 31.7627 34.5932 30.3053 -6.76995 TIMING: 563800 CPU: 1757.71, 0.00310539/step Wall: 1757.71, 0.00310539/step, 3.8267 hours remaining, 235.207031 MB of memory in use. ENERGY: 563800 4014.3942 20624.9659 14497.9983 258.2375 -203034.2796 2720.5615 0.0000 0.0000 52179.1573 -108738.9649 299.8743 -160918.1222 -108384.4069 299.8454 -158.1496 -127.6995 764021.4062 0.5054 0.5220 PRESSURE: 564000 172.223 27.0902 -164.752 27.0898 270.116 -61.7 -164.751 -61.7008 -473.197 GPRESSURE: 564000 201.975 -85.5497 -93.6379 -10.0912 268.757 -82.8115 -270.17 -70.3924 -413.662 PRESSAVG: 564000 33.8513 17.1024 32.0733 17.1024 -32.8368 28.7445 32.0732 28.7445 -10.0626 GPRESSAVG: 564000 34.1057 17.7099 33.5557 16.3184 -32.0291 29.0422 30.4092 30.7302 -11.8958 TIMING: 564000 CPU: 1758.33, 0.00310079/step Wall: 1758.33, 0.00310079/step, 3.82086 hours remaining, 235.207031 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: 564000 3996.6527 20464.8676 14355.7468 259.0834 -202804.0622 2995.3084 0.0000 0.0000 51956.9011 -108775.5022 298.5970 -160732.4033 -108405.9905 299.7329 -10.2860 19.0236 763791.8879 -3.0161 -3.2731 PRESSURE: 564200 70.5642 -14.9372 -49.3261 -14.9371 105.852 75.1684 -49.3264 75.1695 -193.657 GPRESSURE: 564200 104.222 58.5209 -101.702 88.6594 135.88 14.9001 112.765 120.448 -184.736 PRESSAVG: 564200 50.2145 9.09869 -19.3743 9.09865 -53.6673 -13.742 -19.3744 -13.742 -9.88272 GPRESSAVG: 564200 51.2362 9.27141 -19.148 7.12198 -55.3564 -11.3909 -19.0536 -17.1475 -8.71007 TIMING: 564200 CPU: 1758.95, 0.00310735/step Wall: 1758.95, 0.00310734/step, 3.82877 hours remaining, 235.207031 MB of memory in use. ENERGY: 564200 4046.7270 20456.2608 14496.1033 262.9124 -203354.3913 2965.4327 0.0000 0.0000 51936.8327 -109190.1223 298.4817 -161126.9550 -108821.8144 299.2046 -5.7471 18.4550 763823.5915 -4.4451 -4.2768 LDB: ============= START OF LOAD BALANCING ============== 1771.43 LDB: ============== END OF LOAD BALANCING =============== 1771.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1771.43 LDB: ============= START OF LOAD BALANCING ============== 1771.74 LDB: Largest compute 7052 load 0.029683 is 15.2% of average load 0.195044 LDB: Average compute 0.004375 is 2.2% of average load 0.195044 LDB: TIME 1771.75 LOAD: AVG 0.195044 MAX 0.215306 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.734 MB LDB: TIME 1771.75 LOAD: AVG 0.195044 MAX 0.215306 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.734 MB LDB: TIME 1771.75 LOAD: AVG 0.195044 MAX 0.215306 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.734 MB LDB: ============== END OF LOAD BALANCING =============== 1771.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1771.75 PRESSURE: 564400 340.546 -248.264 22.9826 -248.265 -223.419 137.338 22.983 137.338 184.919 GPRESSURE: 564400 383.61 -258.732 -66.274 -63.3752 -140.31 118.522 45.7701 258.678 155.638 PRESSAVG: 564400 1.61902 -44.7207 34.174 -44.7207 -14.6059 49.2215 34.174 49.2215 13.69 GPRESSAVG: 564400 1.74162 -48.5406 34.0647 -42.603 -14.5762 47.4462 34.3932 50.1196 13.2815 TIMING: 564400 CPU: 1759.59, 0.00317724/step Wall: 1759.59, 0.00317724/step, 3.91472 hours remaining, 235.324219 MB of memory in use. ENERGY: 564400 3987.8087 20496.2416 14475.6663 249.1683 -203322.1974 2854.7314 0.0000 0.0000 51942.4574 -109316.1239 298.5140 -161258.5813 -108954.9634 298.7451 100.6819 132.9791 762680.2300 0.2344 0.1490 PRESSURE: 564600 -114.483 -34.0974 68.8803 -34.0976 -305.374 29.7608 68.8804 29.7608 -360.819 GPRESSURE: 564600 -114.948 -25.7823 120.091 -21.8946 -277.773 36.6066 88.7575 79.5155 -303.317 PRESSAVG: 564600 76.9544 -47.3432 4.66235 -47.3431 -49.6846 1.13984 4.66234 1.13981 -4.05871 GPRESSAVG: 564600 76.0242 -44.7774 4.23664 -47.1006 -49.5379 1.7413 4.43659 2.11742 -3.69863 TIMING: 564600 CPU: 1760.21, 0.00309547/step Wall: 1760.21, 0.00309547/step, 3.81379 hours remaining, 235.527344 MB of memory in use. ENERGY: 564600 4023.9275 20436.2718 14486.9414 236.3600 -203211.1399 2640.0344 0.0000 0.0000 52144.6411 -109242.9636 299.6760 -161387.6047 -108890.8525 299.1331 -260.2252 -232.0128 762479.3072 7.7370 7.5959 PRESSURE: 564800 308.496 173.787 -2.62342 173.787 -88.7249 -256.199 -2.62407 -256.2 46.3812 GPRESSURE: 564800 264.677 159.203 -29.7272 214.499 -15.1698 -285.099 52.6244 -231.941 88.6735 PRESSAVG: 564800 4.06345 -9.02099 -35.3392 -9.02097 -13.8284 19.2813 -35.3393 19.2813 -2.97088 GPRESSAVG: 564800 3.4466 -6.08085 -34.0487 -9.83197 -12.6209 17.5946 -36.8301 21.2528 -3.04772 TIMING: 564800 CPU: 1760.83, 0.00309857/step Wall: 1760.83, 0.00309857/step, 3.81743 hours remaining, 235.527344 MB of memory in use. ENERGY: 564800 3944.5483 20479.4169 14525.3342 274.6906 -203149.7338 2738.9235 0.0000 0.0000 52001.8110 -109185.0093 298.8551 -161186.8202 -108817.3744 299.2531 88.7176 112.7270 764039.3677 -4.2453 -4.0740 PRESSURE: 565000 77.4446 70.2125 -167.828 70.2117 -46.2828 109.681 -167.829 109.682 548.257 GPRESSURE: 565000 83.6808 81.8809 -84.499 68.9983 10.7915 86.0297 -226.249 217.862 570.746 PRESSAVG: 565000 26.6207 49.7097 -2.18465 49.7096 -68.2922 -35.0648 -2.18464 -35.0648 -7.41117 GPRESSAVG: 565000 27.85 45.9842 -2.7779 51.1113 -67.9208 -32.7683 0.435804 -37.2993 -9.03122 TIMING: 565000 CPU: 1761.45, 0.0030964/step Wall: 1761.45, 0.0030964/step, 3.8146 hours remaining, 235.527344 MB of memory in use. ENERGY: 565000 4000.9235 20437.1337 14483.6923 265.3102 -202899.0607 2782.4961 0.0000 0.0000 51860.7628 -109068.7420 298.0445 -160929.5048 -108711.5369 299.4675 193.1395 221.7395 764209.6978 -16.3609 -16.3673 PRESSURE: 565200 -241.895 -21.135 -47.7831 -21.1358 -233.502 30.6543 -47.7828 30.6549 19.7629 GPRESSURE: 565200 -217.874 -28.6932 -102.308 49.8597 -238.93 -4.57127 -67.3332 128.846 95.6969 PRESSAVG: 565200 20.1466 28.5822 11.7998 28.5822 5.98947 -11.9588 11.7998 -11.9588 3.84502 GPRESSAVG: 565200 19.6879 31.1358 10.9117 29.2611 5.43264 -12.1918 9.62964 -10.3376 4.69863 TIMING: 565200 CPU: 1762.06, 0.00309283/step Wall: 1762.06, 0.00309283/step, 3.81002 hours remaining, 235.527344 MB of memory in use. ENERGY: 565200 4013.5803 20590.3588 14484.9410 245.4134 -202780.5975 2424.5579 0.0000 0.0000 51911.8092 -109109.9369 298.3379 -161021.7461 -108744.7692 298.8743 -151.8779 -120.3689 763561.4898 9.9937 9.9397 PRESSURE: 565400 255.264 -110.886 260.19 -110.886 343.547 -177.559 260.191 -177.559 206.64 GPRESSURE: 565400 280.12 -8.8098 228.193 -139.588 383.82 -102.753 358.683 -314.393 206.62 PRESSAVG: 565400 30.5373 -10.8 43.6578 -10.8 -1.83218 -21.8306 43.6578 -21.8306 21.2489 GPRESSAVG: 565400 30.0361 -10.8995 43.9192 -9.47721 -2.47817 -22.0629 44.2487 -24.9617 22.1889 TIMING: 565400 CPU: 1762.68, 0.0031018/step Wall: 1762.68, 0.0031018/step, 3.8209 hours remaining, 235.527344 MB of memory in use. ENERGY: 565400 3885.8613 20598.8169 14458.0455 275.6090 -203098.1236 2690.1096 0.0000 0.0000 52010.8848 -109178.7966 298.9073 -161189.6814 -108814.8652 298.7980 268.4833 290.1867 762363.5495 16.6513 16.5823 PRESSURE: 565600 -178.135 -58.9493 -78.2593 -58.9493 -329.46 10.4081 -78.2598 10.4081 45.308 GPRESSURE: 565600 -239.364 -162.221 -75.6721 -61.1148 -217.862 -29.4203 -124.229 -110.057 68.8708 PRESSAVG: 565600 -27.7349 11.6825 17.2486 11.6826 -5.25719 5.14903 17.2486 5.14908 1.49767 GPRESSAVG: 565600 -26.692 9.4737 19.8856 12.2808 -5.16418 4.13285 18.4981 7.15958 0.104944 TIMING: 565600 CPU: 1763.31, 0.00310812/step Wall: 1763.31, 0.00310812/step, 3.82851 hours remaining, 235.527344 MB of memory in use. ENERGY: 565600 3940.1316 20530.3738 14490.2527 242.4745 -203086.8861 2648.7561 0.0000 0.0000 52112.1025 -109122.7949 299.4890 -161234.8974 -108752.9853 298.8980 -154.0955 -129.4516 764365.4157 -10.4981 -10.5837 PRESSURE: 565800 -0.534923 83.4479 161.66 83.4479 26.1359 95.356 161.661 95.3563 18.7907 GPRESSURE: 565800 -53.5952 76.5863 211.207 78.8434 11.6062 71.2001 78.3534 53.4482 186.645 PRESSAVG: 565800 50.7435 -29.1071 9.64421 -29.1071 -17.8186 35.212 9.64418 35.2121 21.289 GPRESSAVG: 565800 49.6878 -29.527 8.23679 -31.865 -16.3628 35.3673 10.3249 34.7482 21.3776 TIMING: 565800 CPU: 1763.93, 0.00309688/step Wall: 1763.93, 0.00309688/step, 3.81449 hours remaining, 235.527344 MB of memory in use. ENERGY: 565800 3929.7067 20510.6484 14521.9572 235.9610 -203419.9379 3094.9754 0.0000 0.0000 52038.8509 -109087.8384 299.0680 -161126.6893 -108729.1526 299.3108 14.7972 48.2187 763953.0234 18.0713 18.2342 PRESSURE: 566000 212.95 229.526 141.422 229.527 28.8283 134.229 141.421 134.227 157.311 GPRESSURE: 566000 330.721 250.693 105.438 182.417 19.1346 176.32 139.72 47.0772 135.336 PRESSAVG: 566000 33.9066 8.21726 5.66769 8.21731 20.7146 -21.5651 5.66774 -21.565 -7.69989 GPRESSAVG: 566000 34.5721 9.24001 5.12014 7.81173 18.9665 -19.0214 5.36308 -20.6415 -6.48733 TIMING: 566000 CPU: 1764.55, 0.00310161/step Wall: 1764.55, 0.00310161/step, 3.82015 hours remaining, 235.527344 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: 566000 4053.9593 20556.7747 14557.9776 242.1708 -203502.9509 3045.6761 0.0000 0.0000 52044.5765 -109001.8157 299.1009 -161046.3923 -108643.6297 299.3620 133.0298 161.7304 761894.2274 15.6404 15.6837 PRESSURE: 566200 -77.5063 147.822 114.192 147.822 -465.812 17.4813 114.192 17.4816 -626.127 GPRESSURE: 566200 -197.02 111.591 57.4729 34.223 -370.839 22.6642 119.05 -0.274601 -539.688 PRESSAVG: 566200 15.5139 0.828624 45.1967 0.828701 -40.9781 -15.9534 45.1967 -15.9534 1.7634 GPRESSAVG: 566200 14.1013 0.0834348 44.1104 1.73785 -38.6847 -18.9355 45.9761 -15.0955 0.775798 TIMING: 566200 CPU: 1765.16, 0.00309531/step Wall: 1765.16, 0.00309531/step, 3.81221 hours remaining, 235.527344 MB of memory in use. ENERGY: 566200 4031.2575 20602.3843 14471.0731 244.2220 -203153.7231 2536.5195 0.0000 0.0000 52229.9237 -109038.3429 300.1661 -161268.2667 -108683.0056 299.1537 -389.8151 -369.1823 765121.1778 -7.9003 -7.9358 PRESSURE: 566400 -188.596 -72.9095 168.24 -72.9093 44.1785 -30.5191 168.241 -30.5185 -215.379 GPRESSURE: 566400 -101.296 -146.041 145.99 -36.7116 -10.0881 -11.0341 209.963 29.3139 -161.324 PRESSAVG: 566400 13.3001 31.0721 45.2275 31.0721 -10.8701 -23.1454 45.2275 -23.1454 -14.6986 GPRESSAVG: 566400 13.9826 32.4988 47.627 31.8032 -11.6729 -22.1448 43.2273 -24.1815 -14.6462 TIMING: 566400 CPU: 1765.78, 0.00309762/step Wall: 1765.78, 0.00309762/step, 3.8149 hours remaining, 235.527344 MB of memory in use. ENERGY: 566400 3921.2260 20515.2742 14484.9057 258.9791 -203117.5526 2742.3841 0.0000 0.0000 52191.9232 -109002.8603 299.9477 -161194.7835 -108647.7008 298.8675 -119.9321 -90.9027 764363.7463 -4.0896 -4.1122 PRESSURE: 566600 60.9894 141.715 -167.158 141.715 88.6689 -126.886 -167.158 -126.885 -70.7015 GPRESSURE: 566600 70.4621 92.8384 -131.204 228.854 171.612 -183.511 -219.648 -138.346 -74.6342 PRESSAVG: 566600 52.4728 38.3592 -4.30892 38.3592 -54.1332 -19.3586 -4.30894 -19.3586 30.6029 GPRESSAVG: 566600 52.5005 39.5559 -4.55762 38.1264 -54.2901 -20.0291 -4.07419 -17.9158 31.3226 TIMING: 566600 CPU: 1766.4, 0.00309829/step Wall: 1766.4, 0.00309829/step, 3.81554 hours remaining, 235.527344 MB of memory in use. ENERGY: 566600 3959.5820 20599.7932 14503.1297 247.1566 -203116.7928 2846.5158 0.0000 0.0000 52171.4194 -108789.1961 299.8299 -160960.6155 -108426.0181 300.1130 26.3189 55.8135 764740.6898 9.6475 9.8443 PRESSURE: 566800 -160.454 -14.4753 170.235 -14.4758 -155.188 0.0619904 170.235 0.063426 -444.222 GPRESSURE: 566800 -54.2051 44.4777 121.911 10.805 -99.1306 11.3466 214.377 69.7082 -531.503 PRESSAVG: 566800 33.5471 8.03795 10.0822 8.03799 -12.6948 -38.5816 10.0822 -38.5815 0.966243 GPRESSAVG: 566800 33.8827 7.38549 9.42734 8.36599 -12.1123 -35.5211 12.5245 -40.3715 0.0455406 TIMING: 566800 CPU: 1767.02, 0.0031041/step Wall: 1767.02, 0.0031041/step, 3.82253 hours remaining, 235.527344 MB of memory in use. ENERGY: 566800 4007.8974 20635.2313 14465.4992 254.1227 -202634.6399 2460.8458 0.0000 0.0000 52173.6520 -108637.3916 299.8427 -160811.0436 -108279.5900 300.2374 -253.2879 -228.2796 765350.0264 7.2729 7.2720 PRESSURE: 567000 -45.4099 106.481 74.7248 106.48 -158.007 23.5838 74.7251 23.585 12.0269 GPRESSURE: 567000 -39.8554 103.862 216.707 5.77073 -44.3957 21.944 -55.7879 24.5615 -30.0798 PRESSAVG: 567000 -16.2911 31.4414 50.348 31.4414 30.0283 -17.384 50.3479 -17.384 15.3967 GPRESSAVG: 567000 -16.1232 30.0608 50.7623 31.5896 29.1381 -18.3467 48.2887 -18.706 15.6977 TIMING: 567000 CPU: 1767.65, 0.00310455/step Wall: 1767.65, 0.00310455/step, 3.82291 hours remaining, 235.527344 MB of memory in use. ENERGY: 567000 4012.1469 20418.7739 14483.1192 254.8222 -203157.3237 2983.8572 0.0000 0.0000 52063.3428 -108941.2616 299.2087 -161004.6044 -108572.3396 299.9301 -63.7966 -38.1103 764597.3637 9.7113 9.5709 PRESSURE: 567200 91.4687 69.9965 -117.129 69.9956 274.764 -68.9636 -117.128 -68.9633 425.88 GPRESSURE: 567200 214.236 28.9608 -189.526 60.546 233.315 -151.074 -65.3445 33.9995 457.492 PRESSAVG: 567200 6.19006 1.63236 30.0226 1.63234 22.7817 -13.483 30.0227 -13.483 4.37232 GPRESSAVG: 567200 4.69675 1.87678 29.5071 -0.238377 23.2257 -14.0903 30.0043 -12.8509 5.16954 TIMING: 567200 CPU: 1768.27, 0.0031152/step Wall: 1768.27, 0.0031152/step, 3.83585 hours remaining, 235.527344 MB of memory in use. ENERGY: 567200 3925.6832 20469.9111 14432.5918 230.2853 -202895.6828 2760.4214 0.0000 0.0000 52002.8311 -109073.9589 298.8610 -161076.7900 -108706.6769 299.1750 264.0378 301.6808 762789.1776 11.1147 11.0307 PRESSURE: 567400 12.2341 -34.058 -86.0044 -34.0579 206.681 -20.1004 -86.0049 -20.1002 -164.987 GPRESSURE: 567400 102.472 75.3921 -102.213 13.6343 224.148 33.9314 0.0901406 -19.3624 -199.652 PRESSAVG: 567400 -9.54504 -18.3136 19.7389 -18.3136 16.1072 -12.8004 19.7389 -12.8003 21.4784 GPRESSAVG: 567400 -7.47726 -17.4168 20.0124 -15.9377 13.8283 -12.8559 19.7545 -13.9703 21.1656 TIMING: 567400 CPU: 1768.89, 0.00310991/step Wall: 1768.89, 0.00310991/step, 3.82916 hours remaining, 235.527344 MB of memory in use. ENERGY: 567400 3935.1162 20667.1186 14359.2140 230.5157 -202817.9349 2662.6659 0.0000 0.0000 52014.5806 -108948.7239 298.9285 -160963.3045 -108588.5750 299.4238 17.9760 42.3227 764180.2685 9.3468 9.1722 PRESSURE: 567600 -25.0318 -27.5548 -338.389 -27.5541 -308.575 74.4527 -338.39 74.4527 443.137 GPRESSURE: 567600 31.9948 -22.2744 -361.375 -2.16601 -232.576 -0.945696 -311.948 113.955 401.52 PRESSAVG: 567600 33.6377 40.7923 15.0834 40.7923 -59.5536 29.1938 15.0834 29.1937 -22.162 GPRESSAVG: 567600 33.0486 40.1383 14.334 41.1552 -58.4211 29.153 17.4304 30.7081 -22.7188 TIMING: 567600 CPU: 1769.52, 0.00315946/step Wall: 1769.52, 0.00315946/step, 3.89 hours remaining, 235.527344 MB of memory in use. ENERGY: 567600 3986.8326 20461.9086 14433.1993 251.4151 -203280.2049 2887.1825 0.0000 0.0000 52095.2191 -109164.4477 299.3919 -161259.6668 -108802.2455 298.9764 36.5104 66.9795 763856.2328 -16.0259 -16.0304 PRESSURE: 567800 173.487 -27.7887 -4.57591 -27.7889 -159.438 -173.726 -4.5763 -173.725 293.667 GPRESSURE: 567800 121.758 -7.28188 43.5294 -60.4344 -31.7563 -246.041 96.9117 -100.396 318.658 PRESSAVG: 567800 33.4802 15.6054 53.3527 15.6054 -44.8404 -35.3344 53.3528 -35.3343 8.76682 GPRESSAVG: 567800 32.748 16.2849 54.3195 14.2588 -44.3234 -34.4545 50.839 -36.0045 8.45567 TIMING: 567800 CPU: 1770.14, 0.00310739/step Wall: 1770.14, 0.00310739/step, 3.82571 hours remaining, 235.527344 MB of memory in use. ENERGY: 567800 3905.7065 20543.5210 14435.6101 245.4208 -202783.2610 2610.0155 0.0000 0.0000 52025.5864 -109017.4008 298.9918 -161042.9871 -108662.7018 299.2097 102.5722 136.2198 764853.8623 -0.8645 -1.0399 PRESSURE: 568000 -110.085 -103.272 -51.3885 -103.272 -223.367 72.9904 -51.3882 72.9901 -3.08158 GPRESSURE: 568000 -142.96 -88.6952 -131.336 3.00552 -171.533 66.3922 -66.2886 -17.2517 59.1336 PRESSAVG: 568000 28.9197 16.0891 -9.46849 16.0891 -57.9459 -61.4758 -9.46852 -61.4758 17.785 GPRESSAVG: 568000 29.2159 14.2981 -9.94565 16.4263 -58.6773 -63.1586 -9.34294 -61.7179 18.145 TIMING: 568000 CPU: 1770.76, 0.00310323/step Wall: 1770.76, 0.00310323/step, 3.82042 hours remaining, 235.527344 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: 568000 4047.6047 20464.6874 14464.5934 258.2079 -203214.0582 2878.6334 0.0000 0.0000 52290.8304 -108809.5010 300.5161 -161100.3314 -108451.5980 299.5868 -112.1778 -85.1196 764888.6315 -3.7471 -3.7721 PRESSURE: 568200 -64.6788 32.7134 -32.966 32.7131 -344.42 -101.536 -32.9666 -101.535 32.2176 GPRESSURE: 568200 11.7746 -35.3153 -13.5723 45.5523 -336.377 -132.371 -218.265 13.8432 31.2081 PRESSAVG: 568200 -58.1986 -5.82887 -10.0722 -5.82884 33.984 -35.3382 -10.0722 -35.3381 -6.00673 GPRESSAVG: 568200 -58.9169 -4.51604 -9.71315 -4.1263 35.1031 -34.2735 -10.527 -31.9657 -5.80236 TIMING: 568200 CPU: 1771.38, 0.00309712/step Wall: 1771.38, 0.00309712/step, 3.81273 hours remaining, 235.527344 MB of memory in use. ENERGY: 568200 4055.7093 20434.1385 14491.2936 224.3997 -203293.7249 2944.4644 0.0000 0.0000 52249.7967 -108893.9227 300.2803 -161143.7194 -108536.1038 299.5431 -125.6272 -97.7981 765756.2495 -10.0738 -9.8721 LDB: ============= START OF LOAD BALANCING ============== 1783.86 LDB: ============== END OF LOAD BALANCING =============== 1783.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1783.86 LDB: ============= START OF LOAD BALANCING ============== 1784.17 LDB: Largest compute 7052 load 0.030090 is 15.4% of average load 0.194986 LDB: Average compute 0.004377 is 2.2% of average load 0.194986 LDB: TIME 1784.18 LOAD: AVG 0.194986 MAX 0.216107 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.043 MB LDB: TIME 1784.18 LOAD: AVG 0.194986 MAX 0.216107 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.043 MB LDB: TIME 1784.18 LOAD: AVG 0.194986 MAX 0.216107 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.043 MB LDB: ============== END OF LOAD BALANCING =============== 1784.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1784.18 PRESSURE: 568400 190.601 -24.3464 178.29 -24.3478 -132.789 311.627 178.29 311.627 128.527 GPRESSURE: 568400 241.849 -43.4652 204.087 -163.515 -45.7443 252.316 -15.2615 131.271 74.8476 PRESSAVG: 568400 8.16461 2.95292 -15.5618 2.95294 3.24704 33.9882 -15.5618 33.9882 16.253 GPRESSAVG: 568400 9.15855 2.79915 -16.6682 2.79216 3.09472 33.2259 -14.1236 29.8198 15.643 TIMING: 568400 CPU: 1772.02, 0.003166/step Wall: 1772.02, 0.003166/step, 3.89735 hours remaining, 234.101562 MB of memory in use. ENERGY: 568400 4049.2802 20403.4965 14442.5099 247.9772 -203444.3882 3043.0588 0.0000 0.0000 52185.9768 -109072.0888 299.9135 -161258.0656 -108718.5263 300.0213 62.1130 90.3175 764087.5203 9.2216 9.2987 PRESSURE: 568600 165.933 -15.7506 164.903 -15.7507 10.5959 -310.575 164.902 -310.575 32.7423 GPRESSURE: 568600 170.259 -43.0177 165.56 -38.2844 80.2147 -208.856 173.408 -30.6102 41.4601 PRESSAVG: 568600 13.8268 12.4263 -26.4791 12.4263 2.4494 33.9103 -26.4792 33.9103 15.5997 GPRESSAVG: 568600 15.2827 14.7727 -26.3867 9.13039 0.811138 35.0837 -28.2523 34.7923 15.3103 TIMING: 568600 CPU: 1772.64, 0.00311805/step Wall: 1772.64, 0.00311805/step, 3.83814 hours remaining, 234.300781 MB of memory in use. ENERGY: 568600 3992.1707 20619.8561 14508.9152 253.3893 -203416.9127 3171.0685 0.0000 0.0000 51842.7736 -109028.7394 297.9411 -160871.5130 -108669.0400 299.1138 69.7572 97.3113 764701.4439 10.6253 10.4680 PRESSURE: 568800 -333.658 -34.8394 238.514 -34.8403 -697.832 78.4195 238.514 78.4201 -473.054 GPRESSURE: 568800 -346.554 -64.1275 289.585 3.22554 -591.221 52.181 173.648 145.224 -488.063 PRESSAVG: 568800 36.2255 57.0996 14.8207 57.0996 -84.468 12.2914 14.8207 12.2913 -22.2731 GPRESSAVG: 568800 34.5569 57.0999 15.4258 57.8604 -82.8328 12.3603 16.1461 13.5773 -21.9184 TIMING: 568800 CPU: 1773.26, 0.0031068/step Wall: 1773.26, 0.0031068/step, 3.82413 hours remaining, 234.300781 MB of memory in use. ENERGY: 568800 4032.2239 20460.4148 14495.9102 246.8300 -202876.4459 2586.4473 0.0000 0.0000 52010.1302 -109044.4895 298.9029 -161054.6198 -108682.0511 299.2056 -501.5143 -475.2793 765005.1257 -23.5052 -23.3981 PRESSURE: 569000 7.88534 -68.7779 158.489 -68.7774 175.523 10.9469 158.489 10.947 247.986 GPRESSURE: 569000 15.7659 -61.409 97.1661 -60.5717 238.759 -16.7885 199.403 -41.2789 279.563 PRESSAVG: 569000 -6.77359 46.9477 44.2904 46.9477 7.12432 24.2019 44.2904 24.2019 -16.6926 GPRESSAVG: 569000 -5.7083 44.6938 44.1747 49.1629 6.8893 24.3529 45.1254 23.5604 -17.5261 TIMING: 569000 CPU: 1773.88, 0.00310299/step Wall: 1773.88, 0.00310299/step, 3.81926 hours remaining, 234.300781 MB of memory in use. ENERGY: 569000 3994.7245 20449.8540 14438.5800 260.3309 -203064.2527 2856.7906 0.0000 0.0000 51981.4489 -109082.5238 298.7381 -161063.9728 -108716.2705 299.0834 143.7978 178.0293 764001.3282 -5.4473 -5.4484 PRESSURE: 569200 -228.835 58.6536 235.383 58.6533 -0.00140677 -90.7352 235.383 -90.7364 -275.581 GPRESSURE: 569200 -262.124 56.2753 224.7 -81.2933 54.6136 -104.924 182.873 -139.047 -212.47 PRESSAVG: 569200 -45.1753 -65.4622 -25.4138 -65.4622 70.2081 6.9869 -25.4138 6.98684 23.7275 GPRESSAVG: 569200 -44.5261 -65.0035 -26.3083 -67.9411 69.579 4.76326 -26.5876 7.11506 24.5006 TIMING: 569200 CPU: 1774.5, 0.00310769/step Wall: 1774.5, 0.00310769/step, 3.82488 hours remaining, 234.300781 MB of memory in use. ENERGY: 569200 4074.7863 20452.5401 14350.7484 234.3772 -203036.2618 2709.2715 0.0000 0.0000 51945.1639 -109269.3744 298.5296 -161214.5383 -108904.0559 298.9380 -168.1393 -139.9934 765256.0572 16.2535 16.5179 PRESSURE: 569400 -204.222 -106.899 38.064 -106.9 -158.646 -34.0511 38.0643 -34.0504 -293.194 GPRESSURE: 569400 -136.218 -89.8547 51.3705 -107.79 -96.9073 33.5166 69.93 50.3039 -332.851 PRESSAVG: 569400 -6.23938 50.7394 24.007 50.7394 -3.67407 5.78905 24.007 5.7891 -17.9182 GPRESSAVG: 569400 -7.23939 50.5405 24.3563 52.6592 -2.53063 8.05758 25.2288 6.08742 -17.5855 TIMING: 569400 CPU: 1775.13, 0.00311651/step Wall: 1775.13, 0.00311651/step, 3.83556 hours remaining, 234.300781 MB of memory in use. ENERGY: 569400 3937.6573 20641.8741 14389.0108 242.2413 -203001.8294 2611.3093 0.0000 0.0000 52082.2029 -109097.5338 299.3171 -161179.7367 -108739.7468 298.7717 -218.6873 -188.6587 764862.9949 -9.2772 -9.1185 PRESSURE: 569600 -192.666 -97.0519 -160.226 -97.0527 -568.84 183.152 -160.226 183.152 -340.122 GPRESSURE: 569600 -165.476 38.3436 -74.0465 -307.451 -589.641 189.86 -239.651 -26.3832 -269.881 PRESSAVG: 569600 -34.5811 -20.8667 34.5472 -20.8666 -17.1448 40.5857 34.5473 40.5857 4.29089 GPRESSAVG: 569600 -33.5038 -20.3285 36.0868 -22.406 -19.1497 40.3897 33.7687 41.6529 5.28578 TIMING: 569600 CPU: 1775.75, 0.00312207/step Wall: 1775.75, 0.00312207/step, 3.84223 hours remaining, 234.300781 MB of memory in use. ENERGY: 569600 4103.3200 20260.9666 14460.3757 245.6054 -203142.9094 2684.7906 0.0000 0.0000 52283.9585 -109103.8926 300.4766 -161387.8511 -108740.8221 298.9767 -367.2094 -341.6659 765250.7413 -15.8117 -15.7892 PRESSURE: 569800 -42.5784 -233.103 -155.684 -233.102 19.0709 104.266 -155.683 104.267 183.225 GPRESSURE: 569800 -137.889 -159.144 -168.813 -239.599 134.712 98.9676 -135.365 215.448 237.2 PRESSAVG: 569800 -21.6772 2.45696 20.4165 2.45695 10.8896 54.5687 20.4165 54.5687 0.777391 GPRESSAVG: 569800 -21.9614 -0.80245 18.9924 4.84052 11.3656 53.2155 20.967 52.2311 -0.105018 TIMING: 569800 CPU: 1776.37, 0.00310163/step Wall: 1776.37, 0.00310163/step, 3.81691 hours remaining, 234.300781 MB of memory in use. ENERGY: 569800 3943.5853 20584.8464 14428.4405 226.9837 -203240.5548 3025.4387 0.0000 0.0000 52038.4102 -108992.8501 299.0655 -161031.2602 -108625.1102 299.3755 53.2390 78.0077 765590.7034 -3.3368 -3.5670 PRESSURE: 570000 -196.406 20.3716 177.787 20.3713 116.421 199.018 177.788 199.018 -567.562 GPRESSURE: 570000 -116.29 -106.01 194.681 88.9029 77.7057 310.639 183.815 143.181 -503.895 PRESSAVG: 570000 -7.78047 -66.231 -14.7263 -66.231 9.13903 15.1864 -14.7262 15.1864 7.49978 GPRESSAVG: 570000 -7.9035 -64.8714 -13.2184 -68.9374 9.84617 15.1337 -15.4075 15.9686 7.51173 TIMING: 570000 CPU: 1776.99, 0.00310485/step Wall: 1776.99, 0.00310485/step, 3.82069 hours remaining, 234.300781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 570000 3958.6079 20601.9702 14452.1827 240.9639 -202946.2645 2562.3223 0.0000 0.0000 52036.9050 -109093.3125 299.0568 -161130.2175 -108734.0341 300.0156 -215.8490 -180.8265 764385.3704 2.9528 3.1515 PRESSURE: 570200 510.853 8.96908 -216.482 8.96948 354.36 45.261 -216.483 45.2609 179.128 GPRESSURE: 570200 468.487 57.4559 -163.497 41.034 466.654 63.2388 -168.435 -14.5051 180.122 PRESSAVG: 570200 -23.5177 0.104341 0.610246 0.104376 34.8457 -16.0901 0.610287 -16.0902 14.0861 GPRESSAVG: 570200 -24.651 -0.502261 -1.15449 3.44724 35.2044 -16.1318 -0.576774 -14.0302 14.4662 TIMING: 570200 CPU: 1777.62, 0.00311728/step Wall: 1777.62, 0.00311728/step, 3.83581 hours remaining, 234.300781 MB of memory in use. ENERGY: 570200 3986.0144 20635.8543 14427.2355 240.8227 -203441.1383 2975.9533 0.0000 0.0000 52091.8544 -109083.4037 299.3726 -161175.2581 -108721.6581 299.8796 348.1134 371.7541 762652.9056 8.4713 8.3399 PRESSURE: 570400 -6.95416 -318.306 111.591 -318.305 212.802 122.152 111.59 122.153 33.0814 GPRESSURE: 570400 86.2306 -327.419 139.529 -181.374 198.219 76.7146 179.199 -25.2906 29.3795 PRESSAVG: 570400 -3.8033 -29.7525 -6.43353 -29.7525 19.3968 -3.1599 -6.43363 -3.15989 12.7075 GPRESSAVG: 570400 -3.27471 -30.1556 -2.82826 -31.8642 18.6209 -3.34799 -6.10683 -5.16746 12.7219 TIMING: 570400 CPU: 1778.24, 0.00311793/step Wall: 1778.24, 0.00311793/step, 3.83644 hours remaining, 234.300781 MB of memory in use. ENERGY: 570400 4029.7860 20695.8414 14394.4732 241.4246 -203398.2012 2815.7941 0.0000 0.0000 52032.0301 -109188.8519 299.0288 -161220.8819 -108838.2909 299.4301 79.6431 104.6097 763084.7657 9.4337 9.3560 PRESSURE: 570600 -275.982 107.578 316.787 107.577 23.0714 -75.8196 316.787 -75.8203 120.963 GPRESSURE: 570600 -165.381 191.612 269.905 -108.502 -89.5793 -72.315 250.311 69.893 187.571 PRESSAVG: 570600 -21.2855 9.67389 -38.4705 9.67397 17.7418 -9.07383 -38.4705 -9.07386 -10.4875 GPRESSAVG: 570600 -20.5605 11.7019 -40.5108 10.0621 16.9826 -10.0952 -36.8567 -7.118 -10.0615 TIMING: 570600 CPU: 1778.86, 0.00311411/step Wall: 1778.86, 0.00311411/step, 3.83156 hours remaining, 234.300781 MB of memory in use. ENERGY: 570600 4046.6325 20565.8941 14468.0356 242.9904 -203386.6844 2952.3711 0.0000 0.0000 51848.4280 -109262.3326 297.9736 -161110.7607 -108913.7564 299.0419 -43.9827 -22.4631 765113.7209 -4.6771 -4.5465 PRESSURE: 570800 185.984 -38.6546 4.54262 -38.6539 342.689 25.6603 4.54163 25.6594 192.527 GPRESSURE: 570800 236.322 28.1179 -78.8902 -39.043 303.516 -34.2269 -29.8398 -71.7896 263.255 PRESSAVG: 570800 9.27767 -3.99735 67.0492 -3.99734 -17.5071 2.82525 67.0492 2.82527 -1.13717 GPRESSAVG: 570800 8.99241 -4.82927 66.764 -4.0755 -17.5452 5.32211 65.7288 1.86484 -1.03877 TIMING: 570800 CPU: 1779.48, 0.00310707/step Wall: 1779.48, 0.00310707/step, 3.82273 hours remaining, 234.300781 MB of memory in use. ENERGY: 570800 3936.2108 20501.0428 14519.3913 263.5203 -204123.0738 3433.5227 0.0000 0.0000 52095.7640 -109373.6218 299.3951 -161469.3858 -109018.2843 298.5611 240.4001 267.6978 762679.9492 -3.1222 -3.1972 PRESSURE: 571000 -21.0856 -109.262 -90.0205 -109.262 -171.996 106.831 -90.0212 106.829 482.498 GPRESSURE: 571000 55.9281 -166.809 -82.6795 -96.8562 -155.568 33.9498 -60.5798 182.842 462.444 PRESSAVG: 571000 -62.4638 -2.32491 11.7189 -2.32494 59.1505 6.3704 11.7189 6.37042 4.75788 GPRESSAVG: 571000 -62.6871 -3.65105 11.4468 -1.17235 60.114 4.05355 11.5177 7.42803 4.29363 TIMING: 571000 CPU: 1780.11, 0.00311495/step Wall: 1780.11, 0.00311495/step, 3.83225 hours remaining, 234.300781 MB of memory in use. ENERGY: 571000 3972.7390 20476.4076 14546.2410 258.2084 -203458.4054 2757.1341 0.0000 0.0000 52225.0848 -109222.5906 300.1383 -161447.6754 -108853.9669 298.9877 96.4720 120.9348 764110.7265 0.4815 0.5735 PRESSURE: 571200 -445.732 -29.1502 -196.491 -29.15 43.0791 172.799 -196.491 172.799 -363.509 GPRESSURE: 571200 -348.46 -83.2649 -112.975 -115.348 28.6614 136.527 -268.719 77.009 -358.981 PRESSAVG: 571200 12.2797 28.0856 -48.2475 28.0856 26.7369 33.7148 -48.2475 33.7148 -0.307414 GPRESSAVG: 571200 13.2451 28.4221 -46.0477 26.6189 26.424 35.2146 -46.9794 31.4045 -0.790419 TIMING: 571200 CPU: 1780.73, 0.00312617/step Wall: 1780.73, 0.00312617/step, 3.84589 hours remaining, 234.300781 MB of memory in use. ENERGY: 571200 4056.8437 20538.6820 14486.1549 248.7010 -203361.0166 2602.7019 0.0000 0.0000 52128.0291 -109299.9040 299.5805 -161427.9330 -108929.7343 298.6903 -255.3872 -226.2600 764602.6868 12.9031 12.9596 PRESSURE: 571400 110.64 -152.02 91.7344 -152.021 447.254 -136.356 91.7348 -136.357 -254.655 GPRESSURE: 571400 227.446 -186.532 62.234 -242.961 381.682 -78.57 6.98983 -133.325 -204.261 PRESSAVG: 571400 18.9027 -31.9891 -27.035 -31.9891 24.4192 51.146 -27.0349 51.146 -14.2159 GPRESSAVG: 571400 19.4506 -31.0228 -28.8173 -31.5878 24.0057 50.8386 -28.0144 51.6707 -14.796 TIMING: 571400 CPU: 1781.36, 0.00311691/step Wall: 1781.36, 0.00311691/step, 3.83432 hours remaining, 234.300781 MB of memory in use. ENERGY: 571400 3987.1399 20519.1399 14496.9200 243.5213 -203588.8387 3115.4445 0.0000 0.0000 51743.1811 -109483.4920 297.3688 -161226.6731 -109127.4174 298.8834 101.0797 134.9553 763033.6625 9.7020 9.5534 PRESSURE: 571600 -335.394 -134.492 48.7959 -134.492 -167.828 -176.702 48.7948 -176.702 249.5 GPRESSURE: 571600 -357.444 -123.324 77.2902 35.1085 -51.4556 -185.492 41.9698 -57.4639 228.358 PRESSAVG: 571600 -14.4145 6.33366 -10.2201 6.33355 27.2763 21.3508 -10.2201 21.3508 -9.0808 GPRESSAVG: 571600 -16.0215 7.76994 -10.3904 6.32753 27.2611 21.0855 -8.8798 21.678 -7.84989 TIMING: 571600 CPU: 1781.98, 0.00312148/step Wall: 1781.98, 0.00312148/step, 3.83977 hours remaining, 234.300781 MB of memory in use. ENERGY: 571600 3993.4940 20305.9869 14473.4544 255.6539 -202985.8973 2703.3952 0.0000 0.0000 52016.9830 -109236.9298 298.9423 -161253.9128 -108876.7669 298.8526 -84.5739 -60.1806 764571.1598 1.2604 1.1299 PRESSURE: 571800 224.531 126.803 97.4802 126.803 -112.137 -45.1461 97.4797 -45.1465 272.61 GPRESSURE: 571800 264.025 151.263 15.6634 127.576 -7.38167 -118.498 9.31304 -128.842 211.882 PRESSAVG: 571800 -49.0515 12.6765 15.8771 12.6765 42.4456 30.4634 15.8771 30.4634 20.8172 GPRESSAVG: 571800 -48.9545 11.8429 15.4322 12.0304 42.5907 29.7519 12.0036 32.0033 20.4318 TIMING: 571800 CPU: 1782.6, 0.00311787/step Wall: 1782.6, 0.00311787/step, 3.83515 hours remaining, 234.300781 MB of memory in use. ENERGY: 571800 4002.0149 20542.6874 14394.4097 240.2877 -203482.0485 2856.2762 0.0000 0.0000 52104.9483 -109341.4243 299.4479 -161446.3726 -108973.8901 299.0014 128.3346 156.1752 762378.7020 4.7371 4.6893 PRESSURE: 572000 16.085 -152.958 -69.2971 -152.958 45.8887 109.232 -69.2977 109.232 85.4615 GPRESSURE: 572000 67.7686 -56.7364 -113.083 -160.22 57.9492 148.288 80.5595 109.138 84.1157 PRESSAVG: 572000 -13.7264 19.4213 59.6778 19.4213 27.1532 -9.6845 59.6779 -9.68445 -1.45557 GPRESSAVG: 572000 -14.168 20.0578 59.8493 20.2952 27.9755 -9.50473 64.687 -11.2851 -1.9478 TIMING: 572000 CPU: 1783.22, 0.00310118/step Wall: 1783.22, 0.00310118/step, 3.81445 hours remaining, 234.300781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 572000 4004.2828 20647.1580 14487.7649 252.3445 -203147.3910 2599.7649 0.0000 0.0000 51956.5651 -109199.5108 298.5951 -161156.0759 -108835.2730 299.3260 49.1451 69.9445 762383.5481 3.9904 3.9533 PRESSURE: 572200 -5.37114 -71.5698 84.9405 -71.5706 -109.235 15.0669 84.9409 15.0674 -139.101 GPRESSURE: 572200 12.5191 -102.253 169.306 -102.242 -63.5673 102.638 -3.13464 22.845 -158.77 PRESSAVG: 572200 -87.483 24.5965 56.6474 24.5965 28.7047 16.13 56.6475 16.1301 4.31935 GPRESSAVG: 572200 -85.9937 25.8594 56.0529 24.077 27.4024 16.6056 51.9707 15.7921 3.82346 TIMING: 572200 CPU: 1783.85, 0.00310952/step Wall: 1783.85, 0.00310952/step, 3.82454 hours remaining, 234.300781 MB of memory in use. ENERGY: 572200 4031.4935 20586.2750 14354.8938 238.4720 -203211.5555 2559.4294 0.0000 0.0000 52037.7648 -109403.2271 299.0617 -161440.9919 -109044.4870 298.7697 -84.5690 -69.9393 762027.0249 -18.1530 -18.2559 LDB: ============= START OF LOAD BALANCING ============== 1796.32 LDB: ============== END OF LOAD BALANCING =============== 1796.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1796.33 LDB: ============= START OF LOAD BALANCING ============== 1796.64 LDB: Largest compute 7010 load 0.030994 is 15.9% of average load 0.194963 LDB: Average compute 0.004373 is 2.2% of average load 0.194963 LDB: TIME 1796.64 LOAD: AVG 0.194963 MAX 0.214222 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.816 MB LDB: TIME 1796.64 LOAD: AVG 0.194963 MAX 0.214222 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.816 MB LDB: TIME 1796.64 LOAD: AVG 0.194963 MAX 0.214222 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.816 MB LDB: ============== END OF LOAD BALANCING =============== 1796.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1796.65 PRESSURE: 572400 10.6072 -143.068 -67.2033 -143.067 292.507 158.112 -67.2033 158.112 76.5228 GPRESSURE: 572400 48.7475 -156.538 -101.902 -50.2259 363.911 118.21 16.819 134.042 73.3159 PRESSAVG: 572400 -49.3598 -34.8059 -26.7523 -34.8059 41.1685 61.6274 -26.7523 61.6275 -3.3692 GPRESSAVG: 572400 -50.0884 -37.6884 -24.8881 -33.4581 41.196 61.9721 -25.2534 62.4387 -3.17769 TIMING: 572400 CPU: 1784.48, 0.00318327/step Wall: 1784.48, 0.00318327/step, 3.91507 hours remaining, 234.246094 MB of memory in use. ENERGY: 572400 3961.6635 20299.3584 14401.2315 247.4930 -203450.5977 2864.4685 0.0000 0.0000 52207.8875 -109468.4952 300.0394 -161676.3828 -109092.8251 298.1862 126.5457 161.9916 760686.5702 -3.8535 -4.0234 PRESSURE: 572600 -100.299 39.1796 -22.2189 39.1798 -12.6665 -43.7058 -22.2179 -43.7063 -15.1727 GPRESSURE: 572600 -123.693 -2.16906 -1.62584 -7.76613 9.44665 -60.5272 -13.5547 -6.32949 40.4903 PRESSAVG: 572600 -56.2309 -29.1764 17.8267 -29.1763 81.0856 -7.73765 17.8267 -7.7377 13.8813 GPRESSAVG: 572600 -57.0505 -27.5948 17.0484 -29.5736 80.6613 -9.07968 17.692 -8.41395 15.0103 TIMING: 572600 CPU: 1785.11, 0.00311327/step Wall: 1785.11, 0.00311327/step, 3.82881 hours remaining, 234.246094 MB of memory in use. ENERGY: 572600 3971.3172 20411.8677 14359.5848 225.4358 -203266.5228 2723.7230 0.0000 0.0000 52076.9865 -109497.6078 299.2872 -161574.5944 -109125.2239 298.6614 -42.7128 -24.5852 763594.1411 12.9120 12.8737 PRESSURE: 572800 159.586 90.0771 162.543 90.0766 -173.727 -40.5218 162.543 -40.5229 -244.47 GPRESSURE: 572800 170.807 77.2115 134.45 109.398 -107.051 4.09765 192.723 0.580846 -238.953 PRESSAVG: 572800 37.9584 -29.0551 -3.94901 -29.0551 -22.8929 -29.0183 -3.94899 -29.0182 6.48106 GPRESSAVG: 572800 38.2857 -29.4631 -4.45789 -29.3468 -22.5781 -27.0225 -2.52738 -28.4038 5.58862 TIMING: 572800 CPU: 1785.73, 0.00310547/step Wall: 1785.73, 0.00310547/step, 3.81904 hours remaining, 234.246094 MB of memory in use. ENERGY: 572800 3984.1416 20609.0109 14396.3251 254.4515 -203282.1350 2813.1351 0.0000 0.0000 52040.2742 -109184.7966 299.0762 -161225.0708 -108834.8998 299.0068 -86.2038 -58.3991 763821.2938 7.1822 7.0987 PRESSURE: 573000 182.472 83.6387 -78.3512 83.6379 176.101 113.447 -78.3521 113.447 -452.229 GPRESSURE: 573000 131.747 88.1223 -178.132 -7.72853 222.29 107.498 -27.5343 142.569 -364.761 PRESSAVG: 573000 42.8308 -34.9652 24.8362 -34.9653 -37.5581 35.5544 24.8361 35.5544 -6.2274 GPRESSAVG: 573000 43.1187 -35.1224 23.2019 -36.0025 -36.9918 34.027 24.0886 36.0829 -7.25528 TIMING: 573000 CPU: 1786.35, 0.00311287/step Wall: 1786.35, 0.00311287/step, 3.82796 hours remaining, 234.246094 MB of memory in use. ENERGY: 573000 4028.8332 20626.1068 14411.4284 250.9533 -202681.3388 2517.0964 0.0000 0.0000 51809.4359 -109037.4848 297.7495 -160846.9207 -108680.7291 299.0506 -31.2187 -3.5746 764636.2798 -0.3182 -0.3761 PRESSURE: 573200 -117.337 -81.0746 -14.1635 -81.0744 13.9909 44.94 -14.1633 44.9405 121.938 GPRESSURE: 573200 -62.065 -82.5426 -14.6488 -144.162 63.2339 39.1145 -20.6749 18.2407 85.7567 PRESSAVG: 573200 -18.5348 -33.9447 25.0051 -33.9446 6.2695 29.903 25.0051 29.903 26.4378 GPRESSAVG: 573200 -18.8668 -35.1313 25.0071 -33.29 6.04481 31.2386 25.0358 29.998 26.9495 TIMING: 573200 CPU: 1786.97, 0.00312069/step Wall: 1786.97, 0.00312069/step, 3.83741 hours remaining, 234.246094 MB of memory in use. ENERGY: 573200 3936.9423 20616.1849 14391.0128 232.0803 -203177.7973 2745.1949 0.0000 0.0000 52016.5152 -109239.8668 298.9396 -161256.3820 -108885.8487 298.7120 6.1971 28.9752 763677.2264 4.7242 4.7091 PRESSURE: 573400 -218.978 3.41261 -42.3511 3.41222 -473.956 280.685 -42.3509 280.686 -458.968 GPRESSURE: 573400 -224.852 -14.0339 -52.3694 154.503 -418.976 225.231 -27.2162 350.259 -412.037 PRESSAVG: 573400 42.3325 -20.919 -56.1241 -20.919 -0.57612 -24.5106 -56.124 -24.5106 1.82532 GPRESSAVG: 573400 42.8115 -20.1102 -54.0201 -18.7062 -0.576023 -25.4547 -57.3335 -26.0884 1.20973 TIMING: 573400 CPU: 1787.6, 0.00311335/step Wall: 1787.6, 0.00311335/step, 3.82821 hours remaining, 234.246094 MB of memory in use. ENERGY: 573400 4054.8774 20348.1010 14505.7120 235.1668 -203050.8925 2530.0953 0.0000 0.0000 52171.0534 -109205.8866 299.8278 -161376.9400 -108834.3689 299.0152 -383.9672 -351.9550 763603.5579 14.5272 14.4817 PRESSURE: 573600 -250.012 90.073 -11.8784 90.072 -282.408 -129.046 -11.8783 -129.045 -174.914 GPRESSURE: 573600 -196.113 177.465 -19.8978 59.2739 -267.426 -124.675 18.7524 -152.113 -166.387 PRESSAVG: 573600 21.5017 -58.8116 30.3216 -58.8116 -45.1306 18.8078 30.3216 18.8078 -10.652 GPRESSAVG: 573600 21.4745 -55.7195 29.1185 -61.5362 -45.2846 20.4438 31.7434 18.1831 -10.853 TIMING: 573600 CPU: 1788.22, 0.00310987/step Wall: 1788.22, 0.00310987/step, 3.82376 hours remaining, 234.246094 MB of memory in use. ENERGY: 573600 4033.0991 20526.9499 14413.3745 254.8614 -203045.6621 2616.2904 0.0000 0.0000 52087.6185 -109113.4681 299.3483 -161201.0866 -108749.2987 298.7892 -235.7780 -209.9755 764038.3698 -11.4270 -11.5543 PRESSURE: 573800 192.929 107.84 67.163 107.84 -62.1905 48.0931 67.1635 48.0922 -371.599 GPRESSURE: 573800 152.647 92.9534 23.626 112.064 49.8771 60.1725 31.0986 -100.761 -335.381 PRESSAVG: 573800 56.7817 15.8396 68.9645 15.8396 0.270925 5.28226 68.9645 5.28218 -16.3947 GPRESSAVG: 573800 55.9071 14.6281 67.9398 17.3917 0.00778576 5.60786 67.4714 5.37726 -15.5349 TIMING: 573800 CPU: 1788.84, 0.00311192/step Wall: 1788.84, 0.00311192/step, 3.8261 hours remaining, 234.246094 MB of memory in use. ENERGY: 573800 4040.8183 20557.9855 14402.6758 256.2008 -202969.7632 2542.7782 0.0000 0.0000 51953.7575 -109215.5472 298.5790 -161169.3047 -108855.4362 299.1287 -80.2867 -44.2857 762907.7849 13.5526 13.4600 PRESSURE: 574000 -548.177 5.25079 -127.73 5.24986 -514.89 -97.8424 -127.729 -97.8433 -97.1226 GPRESSURE: 574000 -488.024 -20.6 -177.415 25.0409 -453.738 8.61185 -56.4029 -34.7866 -128.88 PRESSAVG: 574000 20.9176 13.8027 1.61644 13.8028 -54.9812 -17.2275 1.61646 -17.2274 -18.8759 GPRESSAVG: 574000 20.1746 12.9061 2.06766 14.0358 -54.2918 -16.907 3.84123 -17.1556 -18.9259 TIMING: 574000 CPU: 1789.46, 0.00311516/step Wall: 1789.46, 0.00311516/step, 3.82992 hours remaining, 234.246094 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: 574000 3995.8274 20509.0262 14401.6973 238.2875 -202975.3637 2473.0823 0.0000 0.0000 52176.0577 -109181.3853 299.8565 -161357.4429 -108823.6256 299.2043 -386.7296 -356.8810 764182.6963 -17.6465 -17.6810 PRESSURE: 574200 95.9444 261.23 10.7475 261.23 -426.437 -146.061 10.7483 -146.059 -89.7573 GPRESSURE: 574200 129.804 208.044 -39.5368 379.331 -364.116 -80.146 -87.5458 -285.082 -89.9666 PRESSAVG: 574200 61.6746 2.48613 9.26053 2.48609 -30.5573 -31.0674 9.26059 -31.0674 6.579 GPRESSAVG: 574200 61.5342 1.94107 9.16312 2.28933 -30.5684 -31.5457 7.91126 -30.1672 6.25913 TIMING: 574200 CPU: 1790.09, 0.00311627/step Wall: 1790.09, 0.00311627/step, 3.83111 hours remaining, 234.246094 MB of memory in use. ENERGY: 574200 4083.2616 20562.1686 14401.0633 259.5846 -202902.3137 2539.7643 0.0000 0.0000 51909.7416 -109146.7297 298.3260 -161056.4713 -108788.3534 299.3954 -140.0833 -108.0929 761555.5095 12.5654 12.4083 PRESSURE: 574400 76.8586 -29.5586 7.19433 -29.5586 -38.2021 -15.3282 7.19415 -15.3285 193.481 GPRESSURE: 574400 199.846 -59.7702 80.3405 -97.3732 -82.2757 -50.579 -30.2656 -52.5828 190.672 PRESSAVG: 574400 -13.348 -32.5312 24.3066 -32.5312 11.0896 -26.8671 24.3067 -26.867 33.2439 GPRESSAVG: 574400 -11.9249 -32.543 25.4133 -32.138 10.0824 -26.6241 21.1148 -28.1427 32.6742 TIMING: 574400 CPU: 1790.71, 0.00312462/step Wall: 1790.71, 0.00312462/step, 3.8412 hours remaining, 234.246094 MB of memory in use. ENERGY: 574400 3958.2618 20400.0821 14350.3176 252.3595 -203093.4950 2853.6742 0.0000 0.0000 52183.8137 -109094.9861 299.9011 -161278.7998 -108733.8634 299.3519 77.3793 102.7474 763247.5393 10.3285 10.2772 PRESSURE: 574600 130.466 221.155 -48.8057 221.155 296.069 50.2324 -48.806 50.2319 496.974 GPRESSURE: 574600 72.6287 194.673 -38.0107 182.584 332.73 15.5451 -76.6436 38.0382 586.765 PRESSAVG: 574600 53.0344 9.67918 -9.07131 9.67919 -24.2634 12.0157 -9.07135 12.0156 -6.97163 GPRESSAVG: 574600 51.7802 9.93026 -11.3719 7.21117 -23.3706 11.0881 -6.02646 12.7614 -7.10473 TIMING: 574600 CPU: 1791.34, 0.00312075/step Wall: 1791.34, 0.00312075/step, 3.83626 hours remaining, 234.246094 MB of memory in use. ENERGY: 574600 4010.2401 20604.7828 14452.4801 271.0403 -203184.6502 2878.8637 0.0000 0.0000 51919.1943 -109048.0489 298.3803 -160967.2432 -108696.9601 299.3508 307.8364 330.7080 763323.5203 7.2665 7.1016 PRESSURE: 574800 -233.441 -36.1559 -340.306 -36.1562 132.673 -64.8872 -340.306 -64.8884 -48.6576 GPRESSURE: 574800 -188.029 10.3511 -302.622 -38.1493 166.924 -62.838 -338.737 -91.7534 -31.959 PRESSAVG: 574800 -20.4301 0.530257 -54.0533 0.53028 36.7683 -37.1048 -54.0533 -37.1048 13.7021 GPRESSAVG: 574800 -19.7665 0.117126 -51.5381 3.73615 35.4696 -37.5419 -52.376 -37.2633 14.3095 TIMING: 574800 CPU: 1791.96, 0.00310223/step Wall: 1791.96, 0.00310223/step, 3.81333 hours remaining, 234.246094 MB of memory in use. ENERGY: 574800 4016.9287 20531.9957 14381.2849 260.6137 -202976.9272 2818.1849 0.0000 0.0000 51951.7351 -109016.1842 298.5673 -160967.9193 -108670.6123 299.5564 -49.8088 -17.6879 764450.9655 10.0134 10.0042 PRESSURE: 575000 113.759 -148.806 46.9085 -148.808 -208.303 73.6145 46.9083 73.6144 -399.524 GPRESSURE: 575000 45.2435 -65.9007 -3.73895 -198.065 -105.429 -58.7385 -9.33956 103.609 -344.922 PRESSAVG: 575000 -40.7692 -13.1802 -45.4995 -13.1802 24.7819 6.37954 -45.4995 6.37952 23.3699 GPRESSAVG: 575000 -40.3557 -13.9811 -48.0821 -15.1792 25.531 7.0999 -46.5391 5.38863 22.0916 TIMING: 575000 CPU: 1792.58, 0.00312709/step Wall: 1792.58, 0.00312709/step, 3.84371 hours remaining, 234.246094 MB of memory in use. ENERGY: 575000 4064.0432 20588.5009 14370.0659 246.4572 -202778.6232 2576.4813 0.0000 0.0000 52074.1495 -108858.9252 299.2709 -160933.0747 -108505.3316 299.4312 -164.6894 -135.0361 764656.5318 2.4609 2.4223 PRESSURE: 575200 -179.869 -174.788 -159.025 -174.789 134.921 33.5026 -159.025 33.501 -15.9548 GPRESSURE: 575200 -110.752 -82.7945 -139.036 -152.198 179.606 54.6248 -161.284 -19.5618 -54.5722 PRESSAVG: 575200 -18.6586 -22.8714 -52.3264 -22.8714 5.29857 -10.6993 -52.3264 -10.6993 -6.24273 GPRESSAVG: 575200 -18.6301 -22.8792 -48.3474 -22.7899 4.23425 -11.7278 -53.1861 -8.7185 -5.61366 TIMING: 575200 CPU: 1793.21, 0.00311639/step Wall: 1793.21, 0.00311639/step, 3.83039 hours remaining, 234.246094 MB of memory in use. ENERGY: 575200 3971.0543 20433.4582 14439.5380 251.1486 -202830.1298 2482.3172 0.0000 0.0000 52419.8574 -108832.7560 301.2576 -161252.6134 -108455.7965 299.7327 -20.3008 4.7605 764150.2822 -6.5342 -6.6698 PRESSURE: 575400 56.2979 -278.205 -235.319 -278.205 -18.086 1.94633 -235.319 1.94634 261.04 GPRESSURE: 575400 89.5967 -275.627 -256.537 -208.211 4.96604 139.523 -229.384 -83.6861 298.413 PRESSAVG: 575400 57.9431 -16.1108 -39.3391 -16.1107 -7.8116 -61.2703 -39.3391 -61.2703 -4.4503 GPRESSAVG: 575400 58.6656 -15.4877 -42.5066 -16.6621 -7.94125 -63.0363 -36.8539 -60.4647 -5.00825 TIMING: 575400 CPU: 1793.83, 0.00310692/step Wall: 1793.83, 0.00310692/step, 3.81857 hours remaining, 234.246094 MB of memory in use. ENERGY: 575400 4058.6700 20632.7594 14400.3079 237.2061 -202914.8951 2734.6983 0.0000 0.0000 52223.0249 -108628.2284 300.1264 -160851.2534 -108277.6314 300.3174 99.7508 130.9921 764440.8227 15.2271 15.2387 PRESSURE: 575600 184.098 92.6908 -66.7236 92.6893 -4.22597 28.5287 -66.7237 28.5295 -17.8657 GPRESSURE: 575600 207.617 44.9946 -89.9048 69.3086 36.7589 15.5797 -99.5827 124.467 11.6149 PRESSAVG: 575600 39.8928 -85.5226 -46.6166 -85.5226 -14.0714 -88.6245 -46.6166 -88.6246 -10.0486 GPRESSAVG: 575600 41.446 -85.2864 -45.9521 -85.4823 -14.7262 -85.6839 -48.1315 -90.9008 -10.8637 TIMING: 575600 CPU: 1794.45, 0.0031278/step Wall: 1794.45, 0.0031278/step, 3.84407 hours remaining, 234.246094 MB of memory in use. ENERGY: 575600 4005.2621 20486.8402 14359.1413 247.4231 -203074.9673 3020.2186 0.0000 0.0000 52242.0326 -108714.0494 300.2357 -160956.0819 -108350.0987 299.8076 54.0022 85.3303 764684.9168 5.2576 5.2854 PRESSURE: 575800 -17.9653 6.58366 325.889 6.58324 -287.404 -5.10182 325.889 -5.10075 -82.04 GPRESSURE: 575800 -39.6897 22.6914 341.079 -15.6624 -242.668 -27.0083 301.728 124.617 -20.0476 PRESSAVG: 575800 -23.4708 -50.5133 -6.93733 -50.5134 55.0117 -7.15888 -6.93727 -7.15889 -4.99336 GPRESSAVG: 575800 -26.2688 -50.1471 -6.79619 -51.7979 56.9175 -8.11324 -7.10119 -7.35257 -4.03626 TIMING: 575800 CPU: 1795.07, 0.00311202/step Wall: 1795.07, 0.00311202/step, 3.8245 hours remaining, 234.246094 MB of memory in use. ENERGY: 575800 4051.5127 20690.8904 14363.8273 242.5338 -202812.0900 2762.0395 0.0000 0.0000 51890.3174 -108810.9689 298.2144 -160701.2863 -108449.8867 299.7911 -129.1366 -100.8017 764140.0360 8.8492 8.8708 PRESSURE: 576000 -101.663 -75.5363 -21.1733 -75.5356 -1.60464 221.553 -21.1734 221.552 -39.2136 GPRESSURE: 576000 -22.3896 -74.3847 -82.1866 -22.3743 0.616825 223.684 -44.3116 131.646 -36.1698 PRESSAVG: 576000 -68.9864 12.2723 -33.6791 12.2723 60.7807 49.8005 -33.6791 49.8006 2.88732 GPRESSAVG: 576000 -67.9984 13.1721 -35.0694 12.9954 59.9971 51.3287 -33.2957 50.5542 2.2652 TIMING: 576000 CPU: 1795.7, 0.00310506/step Wall: 1795.7, 0.00310506/step, 3.81577 hours remaining, 234.246094 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: 576000 4005.7876 20530.4056 14440.3884 251.3134 -202769.2241 2746.4404 0.0000 0.0000 52220.7903 -108574.0983 300.1136 -160794.8886 -108202.6483 300.5262 -47.4936 -19.3142 764024.0761 -1.7728 -1.9121 PRESSURE: 576200 -270.209 -195.802 149.891 -195.802 -194.811 -17.7874 149.891 -17.7881 -195.475 GPRESSURE: 576200 -249.303 -264.606 122.813 -183.445 -105.859 -0.723866 66.3504 135.387 -237.119 PRESSAVG: 576200 -44.6684 -22.5819 -57.3237 -22.5819 14.6823 62.0412 -57.3236 62.0411 7.66947 GPRESSAVG: 576200 -45.3075 -25.24 -55.0394 -23.9584 15.8262 61.377 -59.7777 63.2728 7.42169 TIMING: 576200 CPU: 1796.31, 0.00309326/step Wall: 1796.31, 0.00309326/step, 3.8011 hours remaining, 234.246094 MB of memory in use. ENERGY: 576200 4061.9432 20434.0617 14417.6603 248.7213 -202627.0399 2583.3200 0.0000 0.0000 52253.4736 -108627.8598 300.3014 -160881.3334 -108266.3641 300.4496 -220.1649 -197.4272 763701.3836 -7.4389 -7.3532 LDB: ============= START OF LOAD BALANCING ============== 1808.79 LDB: ============== END OF LOAD BALANCING =============== 1808.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1808.79 LDB: ============= START OF LOAD BALANCING ============== 1809.1 LDB: Largest compute 6984 load 0.028240 is 14.5% of average load 0.194989 LDB: Average compute 0.004359 is 2.2% of average load 0.194989 LDB: TIME 1809.11 LOAD: AVG 0.194989 MAX 0.21924 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.789 MB LDB: TIME 1809.11 LOAD: AVG 0.194989 MAX 0.21924 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.789 MB LDB: TIME 1809.11 LOAD: AVG 0.194989 MAX 0.216368 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.789 MB LDB: ============== END OF LOAD BALANCING =============== 1809.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1809.12 PRESSURE: 576400 39.9663 19.8455 -135.901 19.846 -298.823 -5.13911 -135.902 -5.13883 253.84 GPRESSURE: 576400 66.7937 82.2259 -16.0568 -1.43715 -225.881 -34.1126 -123.15 62.4643 254.368 PRESSAVG: 576400 5.65995 -45.2062 -49.5706 -45.2061 -33.0264 -34.4153 -49.5705 -34.4154 7.27827 GPRESSAVG: 576400 5.28971 -45.2529 -49.8346 -43.8458 -34.2893 -35.5908 -48.7497 -34.0358 8.58087 TIMING: 576400 CPU: 1796.95, 0.00317499/step Wall: 1796.95, 0.00317499/step, 3.90136 hours remaining, 235.527344 MB of memory in use. ENERGY: 576400 3957.9609 20524.3563 14408.5476 254.6855 -202946.8147 2732.4750 0.0000 0.0000 52451.6576 -108617.1317 301.4404 -161068.7892 -108250.0861 299.5582 -1.6723 31.7604 764142.2327 -6.6961 -6.8063 PRESSURE: 576600 -24.9058 -219.668 -15.4106 -219.669 228.177 -84.0615 -15.411 -84.0618 -150.061 GPRESSURE: 576600 70.4311 -176.621 16.1884 -223.679 180.074 40.6821 25.3392 -50.1968 -121.453 PRESSAVG: 576600 47.8024 -31.6311 -19.1009 -31.6312 -39.7708 50.9605 -19.1009 50.9606 -10.83 GPRESSAVG: 576600 48.1957 -30.8168 -18.8588 -32.6446 -39.4118 50.7958 -18.5383 50.5714 -11.9598 TIMING: 576600 CPU: 1797.57, 0.00310364/step Wall: 1797.57, 0.00310365/step, 3.81352 hours remaining, 235.593750 MB of memory in use. ENERGY: 576600 3945.2899 20581.6864 14339.0959 248.9637 -202960.1909 2964.8302 0.0000 0.0000 51971.7076 -108908.6171 298.6821 -160880.3247 -108549.4653 299.7818 17.7370 43.0172 764192.2416 -0.9328 -1.0586 PRESSURE: 576800 200.179 257.836 -120.19 257.835 -24.0975 -49.2244 -120.19 -49.2235 172.993 GPRESSURE: 576800 212.584 255.94 -35.3365 119.322 98.1085 -74.7035 74.3186 91.16 133.03 PRESSAVG: 576800 72.0566 -24.1858 13.6616 -24.1858 -48.7543 57.4906 13.6615 57.4907 -20.591 GPRESSAVG: 576800 72.0647 -26.54 12.3136 -21.873 -48.4309 58.6072 13.7051 55.3625 -21.2409 TIMING: 576800 CPU: 1798.19, 0.00309758/step Wall: 1798.19, 0.00309758/step, 3.8059 hours remaining, 235.593750 MB of memory in use. ENERGY: 576800 3931.9372 20546.3594 14436.4987 231.3540 -202720.9062 2715.4576 0.0000 0.0000 52032.7424 -108826.5569 299.0329 -160859.2992 -108477.7879 299.4216 116.3582 147.9077 764300.1281 0.9038 0.7976 PRESSURE: 577000 114.815 -88.7681 230.259 -88.7681 93.2485 -102.317 230.26 -102.317 36.2344 GPRESSURE: 577000 145.063 -99.0691 267.758 -43.7327 128.202 -66.5161 167.888 -105.567 62.9322 PRESSAVG: 577000 86.9571 -33.7569 12.1577 -33.7568 -46.4934 -9.37157 12.1577 -9.37159 3.76426 GPRESSAVG: 577000 87.2885 -31.9641 11.5737 -34.5194 -46.8292 -10.2376 11.7671 -7.86042 3.71055 TIMING: 577000 CPU: 1798.81, 0.00312307/step Wall: 1798.81, 0.00312307/step, 3.83704 hours remaining, 235.593750 MB of memory in use. ENERGY: 577000 3970.1454 20499.4054 14402.3191 249.8543 -202980.0705 2691.3719 0.0000 0.0000 52447.9746 -108718.9999 301.4192 -161166.9745 -108358.1650 299.4893 81.4325 112.0656 764258.0765 14.7427 14.7233 PRESSURE: 577200 -198.532 100.875 -47.175 100.874 -203.058 -115.677 -47.1752 -115.678 24.1877 GPRESSURE: 577200 -157.548 13.644 -66.6266 82.671 -185.771 -142.04 -107.354 -152.714 57.8761 PRESSAVG: 577200 4.34285 -35.6376 -54.654 -35.6376 -46.9675 -17.9576 -54.654 -17.9577 20.0294 GPRESSAVG: 577200 4.27231 -37.4771 -52.6089 -35.1844 -46.7481 -20.0168 -54.687 -16.3695 19.5261 TIMING: 577200 CPU: 1799.44, 0.00313986/step Wall: 1799.44, 0.00313986/step, 3.85749 hours remaining, 235.593750 MB of memory in use. ENERGY: 577200 3999.2410 20563.2423 14441.7719 241.2832 -202943.3434 2769.0177 0.0000 0.0000 52136.6396 -108792.1477 299.6300 -160928.7873 -108419.4107 299.7204 -125.8007 -95.1476 766707.1278 -7.5317 -7.6499 PRESSURE: 577400 -233.426 54.5192 -40.7685 54.5196 -152.393 346.294 -40.7703 346.295 88.6505 GPRESSURE: 577400 -156.863 -69.2779 -60.7654 186.943 -116.033 304.728 -76.1383 272.578 66.2212 PRESSAVG: 577400 16.162 -24.237 -42.7189 -24.237 -4.18323 25.3294 -42.7189 25.3294 -6.26631 GPRESSAVG: 577400 15.0401 -24.4849 -43.0813 -21.2687 -5.26304 26.2955 -41.0619 23.6485 -3.89336 TIMING: 577400 CPU: 1800.07, 0.00312858/step Wall: 1800.07, 0.00312858/step, 3.84346 hours remaining, 235.593750 MB of memory in use. ENERGY: 577400 3965.3900 20670.4308 14498.2845 250.6591 -203126.5422 2808.6680 0.0000 0.0000 52170.6704 -108762.4394 299.8256 -160933.1098 -108402.7758 299.7623 -99.0561 -68.8917 765913.4068 1.9042 1.9612 PRESSURE: 577600 -256.874 167.803 188.417 167.803 -172.95 11.3036 188.417 11.3046 86.4565 GPRESSURE: 577600 -243.787 135.529 174.004 172.63 -143.945 55.7461 162.006 -9.14197 126.211 PRESSAVG: 577600 57.9715 26.4153 -3.99915 26.4153 -78.0506 41.3537 -3.99908 41.3537 2.77015 GPRESSAVG: 577600 58.683 27.2943 -3.71674 23.4345 -77.1971 43.0245 -5.32636 39.908 0.706036 TIMING: 577600 CPU: 1800.69, 0.00312266/step Wall: 1800.69, 0.00312266/step, 3.83602 hours remaining, 235.593750 MB of memory in use. ENERGY: 577600 4016.6647 20552.9206 14433.8749 251.7771 -202619.8618 2512.8548 0.0000 0.0000 51927.6531 -108924.1165 298.4289 -160851.7697 -108555.6437 299.1467 -114.4560 -87.1739 766274.4183 -5.7697 -5.9360 PRESSURE: 577800 -40.0366 26.813 -40.2133 26.8135 -145.838 -234.72 -40.2139 -234.72 181.18 GPRESSURE: 577800 22.4003 36.5253 -85.9375 66.8474 -46.9169 -259.676 -25.3945 -168.014 108.586 PRESSAVG: 577800 -23.8568 4.59436 -2.60456 4.59428 -40.0271 -34.1699 -2.60459 -34.1699 -8.629 GPRESSAVG: 577800 -25.4767 6.08654 -3.19461 5.67579 -38.348 -34.8493 -2.88307 -32.4363 -8.06616 TIMING: 577800 CPU: 1801.32, 0.00313049/step Wall: 1801.32, 0.00313049/step, 3.84547 hours remaining, 235.593750 MB of memory in use. ENERGY: 577800 4046.3259 20638.7884 14451.6851 266.2408 -203413.7910 2941.0579 0.0000 0.0000 52104.3154 -108965.3775 299.4442 -161069.6929 -108609.7521 298.9025 -1.5649 28.0231 765450.9435 -24.1710 -23.9636 PRESSURE: 578000 -96.7791 121.257 32.9255 121.257 -282.564 149.54 32.9254 149.539 -216.157 GPRESSURE: 578000 -39.9226 130.211 97.4748 97.6196 -233.824 192.741 100.791 176.62 -240.815 PRESSAVG: 578000 38.0766 -9.60208 54.1719 -9.60208 8.2438 -30.1273 54.1719 -30.1273 18.5823 GPRESSAVG: 578000 39.9849 -11.2094 54.0187 -9.74876 6.14434 -30.8958 53.1784 -28.6373 18.3833 TIMING: 578000 CPU: 1801.95, 0.00313348/step Wall: 1801.95, 0.00313348/step, 3.84896 hours remaining, 235.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 578000 3974.1886 20530.6498 14515.0551 256.8607 -203063.4732 2829.9653 0.0000 0.0000 52022.2632 -108934.4905 298.9727 -160956.7537 -108580.6123 298.9189 -198.4999 -171.5207 764421.0281 21.6343 21.5042 PRESSURE: 578200 -316.576 9.97194 215.479 9.9712 78.6228 26.089 215.48 26.0896 -189.928 GPRESSURE: 578200 -291.516 -6.8233 201.768 48.7105 77.4119 -65.5774 91.5046 20.2859 -125.418 PRESSAVG: 578200 6.59372 -5.07651 22.2105 -5.07653 -20.7456 -2.73822 22.2105 -2.73822 -29.9407 GPRESSAVG: 578200 6.75616 -3.30944 22.8768 -6.65575 -20.3078 -3.1288 22.99 -3.18341 -30.5367 TIMING: 578200 CPU: 1802.57, 0.00312188/step Wall: 1802.57, 0.00312188/step, 3.83454 hours remaining, 235.593750 MB of memory in use. ENERGY: 578200 3973.9971 20581.9970 14456.5807 261.6334 -202930.3511 2785.5944 0.0000 0.0000 52111.8275 -108758.7211 299.4874 -160870.5485 -108395.1640 300.0020 -142.6269 -113.1740 766192.9157 -14.6975 -14.6961 PRESSURE: 578400 -80.786 -51.3291 -189.545 -51.329 -219.698 9.19054 -189.545 9.19178 248.759 GPRESSURE: 578400 -64.0476 34.2496 -209.426 -84.114 -132.255 44.8282 -308.615 -58.6118 236.403 PRESSAVG: 578400 29.4927 -8.01641 -9.37093 -8.01645 -19.8652 -14.4022 -9.37088 -14.4022 9.60732 GPRESSAVG: 578400 28.7865 -8.96008 -10.7072 -5.1059 -20.5279 -13.137 -8.00409 -16.3151 10.7605 TIMING: 578400 CPU: 1803.2, 0.00312762/step Wall: 1803.2, 0.00312762/step, 3.84141 hours remaining, 235.593750 MB of memory in use. ENERGY: 578400 3992.6650 20579.2350 14516.5206 264.1576 -202389.2994 2156.8622 0.0000 0.0000 52067.0617 -108812.7973 299.2301 -160879.8590 -108450.0973 300.1395 -17.2418 13.3669 764355.4871 6.4116 6.3397 PRESSURE: 578600 90.147 -174.206 -227.242 -174.207 218.774 13.8553 -227.242 13.8546 174.979 GPRESSURE: 578600 246.715 -210.528 -217.512 -106.044 230.039 14.4413 -126.404 -115.011 95.4244 PRESSAVG: 578600 21.3893 -39.473 -58.8553 -39.473 -39.6819 -34.6336 -58.8553 -34.6336 9.70148 GPRESSAVG: 578600 22.4296 -40.9805 -58.7757 -40.7414 -39.1101 -35.3355 -61.0793 -34.2472 8.72407 TIMING: 578600 CPU: 1803.82, 0.00311278/step Wall: 1803.82, 0.00311278/step, 3.82302 hours remaining, 235.593750 MB of memory in use. ENERGY: 578600 4024.6133 20567.6529 14482.8791 261.1702 -203146.8785 2976.7857 0.0000 0.0000 52049.8440 -108783.9332 299.1312 -160833.7773 -108427.5199 300.3225 161.3001 190.7261 762913.3518 -2.8637 -2.6522 PRESSURE: 578800 -309.317 159.258 -118.277 159.259 -93.9302 36.0079 -118.278 36.0073 316.809 GPRESSURE: 578800 -179.646 79.1977 -68.2248 175.068 -99.6382 62.6325 -113.577 -30.9479 289.685 PRESSAVG: 578800 38.9135 4.40749 -28.389 4.40751 -48.6313 -8.28188 -28.389 -8.28192 9.35725 GPRESSAVG: 578800 39.1346 6.52832 -26.3557 3.86416 -49.6343 -6.30467 -28.1665 -6.16457 10.4772 TIMING: 578800 CPU: 1804.44, 0.00310983/step Wall: 1804.44, 0.00310983/step, 3.81922 hours remaining, 235.593750 MB of memory in use. ENERGY: 578800 3969.5222 20453.6677 14478.4099 256.6859 -203038.7150 2784.7393 0.0000 0.0000 52129.9651 -108965.7249 299.5916 -161095.6901 -108608.7711 300.0695 -28.8128 3.4670 762937.3876 -0.1202 -0.0075 PRESSURE: 579000 46.4617 -202.911 -265.619 -202.911 137.661 17.7649 -265.618 17.7637 93.1831 GPRESSURE: 579000 38.3449 -48.0027 -344.342 -185.276 144.862 -9.65401 -118.673 -7.475 177.068 PRESSAVG: 579000 22.505 29.8079 -13.9501 29.808 -21.5369 -17.449 -13.9501 -17.449 11.4742 GPRESSAVG: 579000 22.181 29.3621 -16.451 30.9324 -20.8429 -19.9398 -13.0603 -17.2165 10.8565 TIMING: 579000 CPU: 1805.06, 0.00311434/step Wall: 1805.06, 0.00311434/step, 3.82459 hours remaining, 235.593750 MB of memory in use. ENERGY: 579000 3916.6173 20446.9067 14424.4895 251.9325 -202947.0890 2692.3378 0.0000 0.0000 52210.2230 -109004.5822 300.0529 -161214.8052 -108627.1360 299.6702 92.4352 120.0916 763511.2861 4.1474 4.0648 PRESSURE: 579200 -45.2879 111.929 78.9879 111.928 -8.7947 98.7104 78.9875 98.7105 172.879 GPRESSURE: 579200 -36.8305 96.5429 122.476 25.3273 57.2365 72.9017 112.699 134.124 182.635 PRESSAVG: 579200 36.6572 5.19424 -31.3704 5.19421 -10.0703 -20.0764 -31.3704 -20.0764 -5.68939 GPRESSAVG: 579200 37.896 5.37799 -29.4888 4.79707 -11.811 -18.2606 -31.9635 -21.0717 -5.19643 TIMING: 579200 CPU: 1805.68, 0.00311047/step Wall: 1805.68, 0.00311047/step, 3.81966 hours remaining, 235.593750 MB of memory in use. ENERGY: 579200 3965.9375 20638.0512 14525.6834 241.5210 -202635.8778 2399.3994 0.0000 0.0000 51978.7705 -108886.5148 298.7227 -160865.2853 -108525.9040 299.4404 39.5989 67.6803 763396.5882 6.9658 6.9629 PRESSURE: 579400 296.689 -114.538 -10.775 -114.539 43.1592 -87.7255 -10.774 -87.7252 507.265 GPRESSURE: 579400 344.956 -124.252 1.69644 -138.637 55.9306 -72.5965 -6.45791 -111.098 527.388 PRESSAVG: 579400 -44.5865 -33.1924 -4.30959 -33.1925 63.5881 -7.28705 -4.30958 -7.28709 0.560822 GPRESSAVG: 579400 -44.9449 -33.1867 -3.96445 -32.5168 64.1615 -8.19792 -3.77296 -8.2927 0.193355 TIMING: 579400 CPU: 1806.31, 0.00310433/step Wall: 1806.31, 0.00310433/step, 3.81195 hours remaining, 235.593750 MB of memory in use. ENERGY: 579400 3978.7768 20515.8413 14470.8865 239.3229 -203485.5844 3154.1647 0.0000 0.0000 52143.1934 -108983.3988 299.6676 -161126.5922 -108617.0303 299.3472 282.3709 309.4248 760225.0511 6.5208 6.4700 PRESSURE: 579600 -25.0671 -140.883 36.894 -140.883 279.118 40.3455 36.8943 40.3456 166.876 GPRESSURE: 579600 94.7832 -110.755 32.6448 -188.662 264.31 23.8773 4.72476 72.9866 130.869 PRESSAVG: 579600 17.5233 -42.7055 59.5932 -42.7054 -27.7401 -29.649 59.5931 -29.649 -3.78199 GPRESSAVG: 579600 17.1436 -42.2555 59.5086 -42.7645 -26.5315 -29.7354 58.1094 -26.3751 -5.12671 TIMING: 579600 CPU: 1806.93, 0.00310943/step Wall: 1806.93, 0.00310943/step, 3.81803 hours remaining, 235.593750 MB of memory in use. ENERGY: 579600 4020.3538 20731.2650 14451.3049 235.3888 -203116.6068 2763.0039 0.0000 0.0000 51976.3589 -108938.9316 298.7088 -160915.2904 -108594.1891 299.9339 140.3088 163.3207 762588.3145 -4.6663 -4.8382 PRESSURE: 579800 121.299 -4.96319 -121.765 -4.96279 20.2115 131.09 -121.765 131.089 211.1 GPRESSURE: 579800 254.832 77.2765 -96.6787 -124.815 19.5417 151.576 -6.89761 106.978 141.573 PRESSAVG: 579800 35.3712 -16.5635 36.3597 -16.5635 -34.547 -48.9219 36.3597 -48.9219 23.6791 GPRESSAVG: 579800 34.8646 -16.0401 34.9777 -17.754 -34.5844 -48.0916 39.8281 -50.4547 24.0366 TIMING: 579800 CPU: 1807.55, 0.00311464/step Wall: 1807.55, 0.00311464/step, 3.82425 hours remaining, 235.593750 MB of memory in use. ENERGY: 579800 4033.2193 20446.9714 14463.6577 242.8070 -203239.7606 2821.4874 0.0000 0.0000 52621.2864 -108610.3314 302.4153 -161231.6178 -108245.8244 300.0657 117.5368 138.6487 763087.3559 8.1678 8.1056 PRESSURE: 580000 -97.2177 -316.889 67.7714 -316.889 66.7194 125.599 67.7705 125.6 -443.445 GPRESSURE: 580000 -9.99402 -236.052 102.01 -234.319 25.6433 132.163 12.5439 99.2504 -408.751 PRESSAVG: 580000 -7.48303 -6.99475 27.6049 -6.99471 -0.529063 22.371 27.6049 22.3711 -14.0561 GPRESSAVG: 580000 -7.61587 -6.79632 28.6193 -5.42228 -2.29794 22.1976 23.1701 21.1815 -12.4895 TIMING: 580000 CPU: 1808.17, 0.00311997/step Wall: 1808.17, 0.00311997/step, 3.83063 hours remaining, 235.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 580000 3930.8902 20354.1461 14427.4452 237.7122 -202603.0484 2579.8308 0.0000 0.0000 52292.4706 -108780.5533 300.5255 -161073.0239 -108410.8893 299.8464 -157.9812 -131.0339 764949.6205 -7.3561 -7.4678 PRESSURE: 580200 164.696 84.2134 -94.8187 84.2146 166.555 16.308 -94.8194 16.3072 190.778 GPRESSURE: 580200 212.492 20.8183 -100.55 77.3592 198.178 -28.3894 62.7474 98.0096 215.13 PRESSAVG: 580200 -12.2414 -42.5395 54.4246 -42.5396 -6.4384 -52.1257 54.4246 -52.1257 -9.2967 GPRESSAVG: 580200 -12.6824 -42.191 54.4125 -43.3396 -5.90903 -53.0031 56.9523 -50.0832 -9.5283 TIMING: 580200 CPU: 1808.8, 0.00311746/step Wall: 1808.8, 0.00311746/step, 3.82738 hours remaining, 235.593750 MB of memory in use. ENERGY: 580200 3957.4579 20459.0308 14447.5464 242.0595 -203080.8317 2931.3576 0.0000 0.0000 52157.6651 -108885.7143 299.7508 -161043.3795 -108513.8943 299.5573 174.0100 208.5998 763948.4079 -9.3255 -9.3732 LDB: ============= START OF LOAD BALANCING ============== 1821.28 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1821.28 LDB: =============== DONE WITH MIGRATION ================ 1821.28 LDB: ============= START OF LOAD BALANCING ============== 1821.59 LDB: Largest compute 6983 load 0.030480 is 15.6% of average load 0.194914 LDB: Average compute 0.004368 is 2.2% of average load 0.194914 LDB: TIME 1821.59 LOAD: AVG 0.194914 MAX 0.214726 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.793 MB LDB: TIME 1821.6 LOAD: AVG 0.194914 MAX 0.214726 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.793 MB LDB: TIME 1821.6 LOAD: AVG 0.194914 MAX 0.214726 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.793 MB LDB: ============== END OF LOAD BALANCING =============== 1821.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1821.6 PRESSURE: 580400 -91.4864 122.037 150.747 122.036 -59.371 -153.573 150.747 -153.573 -114.494 GPRESSURE: 580400 -39.4033 37.2432 111.534 5.31791 81.368 -189.618 -6.78779 -95.8637 -225.559 PRESSAVG: 580400 11.5412 -3.79719 -38.1014 -3.79714 44.7971 65.538 -38.1013 65.5379 17.3287 GPRESSAVG: 580400 12.5602 -4.64411 -38.8056 -5.27687 45.0163 65.2646 -37.0193 65.8214 16.248 TIMING: 580400 CPU: 1809.44, 0.00319279/step Wall: 1809.44, 0.00319279/step, 3.91968 hours remaining, 233.734375 MB of memory in use. ENERGY: 580400 3992.5440 20456.3512 14398.9729 242.2022 -202682.8371 2572.4547 0.0000 0.0000 52252.4030 -108767.9091 300.2953 -161020.3122 -108399.2499 299.2068 -88.4506 -61.1982 763058.5076 24.5557 24.6081 PRESSURE: 580600 31.2048 19.6974 -41.6087 19.6976 -135.139 21.9946 -41.6087 21.9943 -279.674 GPRESSURE: 580600 34.4944 56.0597 -36.776 -10.5787 -129.707 59.7934 -91.1358 -40.2877 -215.671 PRESSAVG: 580600 -39.0172 -81.5705 11.5211 -81.5705 16.2505 18.4909 11.521 18.4908 2.335 GPRESSAVG: 580600 -39.114 -80.3541 11.7668 -82.7997 15.2416 21.0991 9.27121 16.5128 3.13298 TIMING: 580600 CPU: 1810.06, 0.00312705/step Wall: 1810.06, 0.00312705/step, 3.83881 hours remaining, 233.734375 MB of memory in use. ENERGY: 580600 4000.7077 20458.1936 14415.3577 245.5627 -202595.4721 2606.1133 0.0000 0.0000 51898.8165 -108970.7205 298.2632 -160869.5369 -108606.4772 299.8055 -127.8694 -103.6276 764069.0718 -6.8106 -6.9131 PRESSURE: 580800 -200.699 -124.939 -133.51 -124.94 305.268 17.4102 -133.51 17.4105 89.0148 GPRESSURE: 580800 -161.205 -180.742 -38.2203 12.4452 317.547 7.4379 -152.326 95.8914 106.659 PRESSAVG: 580800 -6.50747 -72.7973 -7.61408 -72.7974 53.8647 -31.3102 -7.61405 -31.3101 -3.03708 GPRESSAVG: 580800 -7.54609 -74.1485 -6.77554 -70.7786 54.1059 -33.5584 -6.36439 -30.5358 -3.07168 TIMING: 580800 CPU: 1810.68, 0.00311023/step Wall: 1810.68, 0.00311023/step, 3.81798 hours remaining, 233.734375 MB of memory in use. ENERGY: 580800 3972.9049 20614.7791 14480.3478 261.9374 -202874.5785 2975.4214 0.0000 0.0000 51869.8929 -108699.2950 298.0970 -160569.1879 -108348.4454 299.4568 64.5279 87.6669 764838.8060 14.7734 14.4960 PRESSURE: 581000 -61.0641 21.5063 -178.873 21.5067 -288.978 24.2287 -178.873 24.2297 -152.81 GPRESSURE: 581000 -105.435 -16.4064 -138.869 31.8631 -154.46 28.9582 -181.256 14.2596 -137.981 PRESSAVG: 581000 14.4998 -9.44514 -6.25849 -9.44513 -24.6532 -12.3872 -6.25857 -12.3872 16.6682 GPRESSAVG: 581000 14.8304 -7.66154 -6.056 -9.82038 -25.2 -10.9114 -8.14017 -10.5804 16.8963 TIMING: 581000 CPU: 1811.31, 0.00312004/step Wall: 1811.31, 0.00312004/step, 3.82985 hours remaining, 233.734375 MB of memory in use. ENERGY: 581000 4095.1883 20326.5557 14470.2063 245.7708 -202514.0573 2463.6393 0.0000 0.0000 52183.6744 -108729.0225 299.9003 -160912.6969 -108356.0100 299.8675 -167.6173 -132.6254 762938.3866 2.1716 2.1755 PRESSURE: 581200 -98.9465 227.037 57.4776 227.037 60.839 41.343 57.4779 41.3418 -212.396 GPRESSURE: 581200 -126.923 110.871 14.2406 163.758 81.0962 -23.3805 -50.3037 5.07885 -113.219 PRESSAVG: 581200 -74.4568 2.22327 30.3347 2.22319 103.588 -66.9346 30.3347 -66.9345 -6.21101 GPRESSAVG: 581200 -73.9618 -1.6686 29.3554 3.12206 102.67 -65.9984 33.128 -66.9522 -5.7038 TIMING: 581200 CPU: 1811.93, 0.00309831/step Wall: 1811.93, 0.00309831/step, 3.80301 hours remaining, 233.734375 MB of memory in use. ENERGY: 581200 4002.7586 20443.7504 14481.3377 239.9976 -202882.4179 2741.9340 0.0000 0.0000 52374.4427 -108598.1969 300.9966 -160972.6396 -108238.6010 299.8668 -83.5011 -53.0153 763134.8427 7.6399 7.6682 PRESSURE: 581400 -86.4392 -24.2611 78.6607 -24.2607 31.868 144.035 78.6611 144.034 98.0062 GPRESSURE: 581400 -64.9807 -36.0812 90.547 -27.2703 64.6768 127.499 18.2912 -68.1924 140.413 PRESSAVG: 581400 -36.6888 -22.7888 48.5872 -22.7888 65.1688 -9.39183 48.5872 -9.39172 -2.36914 GPRESSAVG: 581400 -36.3744 -20.5412 50.6372 -22.1074 66.1615 -12.1235 46.5394 -8.47908 -4.05712 TIMING: 581400 CPU: 1812.55, 0.0031056/step Wall: 1812.55, 0.0031056/step, 3.81178 hours remaining, 233.734375 MB of memory in use. ENERGY: 581400 4024.5685 20510.2416 14385.6122 245.7466 -202898.3212 2798.6643 0.0000 0.0000 52622.4632 -108311.0248 302.4220 -160933.4880 -107943.5216 300.4442 14.4783 46.7030 764021.5832 8.7036 8.5766 PRESSURE: 581600 -226.456 140.294 27.2825 140.294 -354.046 130.575 27.2826 130.575 77.5219 GPRESSURE: 581600 -142.765 156.138 0.498195 110.03 -328.31 146.395 -24.9625 5.28981 44.4882 PRESSAVG: 581600 -54.5815 -5.82762 8.44053 -5.82759 61.0222 -14.22 8.4405 -14.22 0.773532 GPRESSAVG: 581600 -56.6848 -7.16076 7.18563 -7.19772 62.2949 -13.7831 9.49437 -15.467 1.54593 TIMING: 581600 CPU: 1813.17, 0.00312337/step Wall: 1813.17, 0.00312337/step, 3.83342 hours remaining, 233.734375 MB of memory in use. ENERGY: 581600 4051.0121 20453.8089 14493.5708 235.7932 -202312.5429 2338.3113 0.0000 0.0000 52569.9115 -108170.1351 302.1200 -160740.0466 -107804.2899 300.6482 -167.6599 -142.1958 764367.8734 2.4048 2.3853 PRESSURE: 581800 -326.61 -17.6451 40.7976 -17.645 -279.91 -137.113 40.7975 -137.114 459.765 GPRESSURE: 581800 -246.57 65.7347 141.767 -17.3037 -278.736 -155.003 36.845 -103.707 461.946 PRESSAVG: 581800 22.5018 -14.3463 -23.8053 -14.3463 -34.6637 -44.4861 -23.8053 -44.4861 18.5389 GPRESSAVG: 581800 24.1899 -12.2493 -23.1216 -13.9295 -37.0642 -43.1323 -22.9495 -46.752 19.0613 TIMING: 581800 CPU: 1813.8, 0.00312621/step Wall: 1813.8, 0.00312621/step, 3.83673 hours remaining, 233.734375 MB of memory in use. ENERGY: 581800 4028.3514 20661.4137 14541.6049 233.5542 -202440.8973 2472.4915 0.0000 0.0000 52297.7102 -108205.7714 300.5557 -160503.4817 -107840.5727 300.8995 -48.9184 -21.1199 765755.8456 2.1257 2.0623 PRESSURE: 582000 36.591 -26.2004 130.867 -26.2005 -96.7132 -68.4429 130.867 -68.4425 80.5053 GPRESSURE: 582000 114.321 -186.793 186.172 2.55733 -118.806 16.2397 155.256 -30.5742 117.95 PRESSAVG: 582000 -11.7958 -3.87607 2.71457 -3.87601 -22.509 26.4804 2.71455 26.4804 -20.0511 GPRESSAVG: 582000 -11.9314 -3.9331 2.29468 -5.93522 -21.6813 26.8298 1.42721 26.3355 -20.881 TIMING: 582000 CPU: 1814.42, 0.00312333/step Wall: 1814.42, 0.00312333/step, 3.83302 hours remaining, 233.734375 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: 582000 3985.6686 20629.9378 14459.0883 224.8651 -202733.6633 2728.0051 0.0000 0.0000 52451.8345 -108254.2640 301.4414 -160706.0985 -107887.5536 300.8396 6.7944 37.8218 763907.6765 -18.1186 -18.1646 PRESSURE: 582200 14.8679 -70.8942 -126.534 -70.8938 63.0286 -124.779 -126.534 -124.779 171.361 GPRESSURE: 582200 85.3793 -32.2735 -106.565 14.3857 75.8914 -136.168 -129.909 -176.713 176.849 PRESSAVG: 582200 -19.0328 14.7414 -9.64576 14.7414 16.1046 3.04834 -9.64574 3.04837 12.1758 GPRESSAVG: 582200 -20.5861 13.6347 -10.9805 18.2472 17.2569 2.08482 -7.55762 7.23839 13.2018 TIMING: 582200 CPU: 1815.05, 0.00313124/step Wall: 1815.05, 0.00313124/step, 3.84256 hours remaining, 233.734375 MB of memory in use. ENERGY: 582200 4030.0962 20476.3915 14444.7822 252.4636 -202686.0404 2792.8244 0.0000 0.0000 52407.5531 -108281.9294 301.1869 -160689.4825 -107909.3761 300.8096 83.0859 112.7066 765972.7686 3.0825 3.2909 PRESSURE: 582400 29.4635 218.92 -63.9461 218.919 -80.468 59.6439 -63.9464 59.6432 -270.296 GPRESSURE: 582400 83.764 258.301 28.0202 33.0992 -56.9195 109.461 11.6923 66.4808 -267.745 PRESSAVG: 582400 -31.7982 -26.7293 -6.88453 -26.7292 49.2947 -59.1872 -6.88453 -59.1872 29.2171 GPRESSAVG: 582400 -31.097 -26.8902 -4.63934 -29.8986 48.3677 -58.1598 -9.49349 -60.7243 29.366 TIMING: 582400 CPU: 1815.67, 0.00312703/step Wall: 1815.67, 0.00312703/step, 3.83722 hours remaining, 233.734375 MB of memory in use. ENERGY: 582400 4044.4630 20524.7941 14540.3011 253.5920 -202645.2251 2659.2854 0.0000 0.0000 52206.7929 -108415.9965 300.0332 -160622.7894 -108056.4432 300.3479 -107.1001 -80.3002 765821.9515 15.5712 15.5455 PRESSURE: 582600 185.858 37.4933 -42.5404 37.4942 423.251 -241.55 -42.5407 -241.551 -37.4298 GPRESSURE: 582600 237.209 8.89943 -131.702 63.7458 359.384 -224.134 -46.3053 -251.087 63.1127 PRESSAVG: 582600 -58.1379 -13.7722 19.0118 -13.7722 23.9621 35.4582 19.0118 35.4582 5.72728 GPRESSAVG: 582600 -55.6418 -12.4174 17.8668 -11.77 23.3077 34.4126 19.7504 35.4369 4.44475 TIMING: 582600 CPU: 1816.3, 0.00312382/step Wall: 1816.3, 0.00312382/step, 3.8331 hours remaining, 233.734375 MB of memory in use. ENERGY: 582600 3960.8501 20497.1490 14487.3916 263.4597 -203110.1026 2948.0629 0.0000 0.0000 52260.0418 -108693.1474 300.3392 -160953.1893 -108321.0696 299.8592 190.5598 219.9019 764866.2438 -9.4828 -9.2965 PRESSURE: 582800 -8.44303 -75.1406 -120.937 -75.1406 475.36 -100.001 -120.939 -100.002 177.814 GPRESSURE: 582800 133.991 -24.4523 -135.129 -53.3905 395.098 -80.7385 -136.572 -141.699 192.916 PRESSAVG: 582800 -57.6184 -26.9641 -40.5186 -26.9641 37.4572 -7.82697 -40.5186 -7.8269 -1.04804 GPRESSAVG: 582800 -59.3336 -27.3535 -40.5978 -28.4356 37.1293 -7.04362 -41.7616 -8.38542 0.778321 TIMING: 582800 CPU: 1816.93, 0.00313664/step Wall: 1816.93, 0.00313664/step, 3.84865 hours remaining, 233.734375 MB of memory in use. ENERGY: 582800 4032.0876 20588.5408 14389.7563 271.1109 -202926.5739 2901.2548 0.0000 0.0000 51865.9270 -108877.8965 298.0742 -160743.8235 -108525.4701 299.2053 214.9104 240.6682 763927.6850 -7.0697 -7.1420 PRESSURE: 583000 -129.547 67.8313 -5.49388 67.8317 -485.21 -40.8671 -5.49341 -40.8682 24.2299 GPRESSURE: 583000 -123.383 115.764 18.6251 12.0406 -438.996 -30.5697 22.783 35.0418 55.2815 PRESSAVG: 583000 9.11898 31.4808 -7.81906 31.4807 12.0634 -22.8839 -7.81907 -22.884 19.6265 GPRESSAVG: 583000 8.64017 31.126 -8.44362 33.0168 14.3055 -22.1054 -6.7585 -20.6188 18.1429 TIMING: 583000 CPU: 1817.55, 0.00312773/step Wall: 1817.55, 0.00312773/step, 3.83756 hours remaining, 233.734375 MB of memory in use. ENERGY: 583000 4004.2452 20443.5948 14483.3709 221.3742 -203194.5334 2837.4021 0.0000 0.0000 52078.1683 -109126.3780 299.2939 -161204.5463 -108764.8628 299.2462 -196.8422 -169.0327 763089.5762 13.6030 13.6962 PRESSURE: 583200 21.8314 -140.248 -247.182 -140.249 25.9245 63.9115 -247.181 63.9108 -230.146 GPRESSURE: 583200 33.569 -170.222 -178.69 -121.753 74.7784 63.4256 -147.346 174.405 -204.124 PRESSAVG: 583200 -33.9043 40.634 -35.6488 40.634 6.14523 -7.50072 -35.6488 -7.50071 -18.7374 GPRESSAVG: 583200 -34.2217 41.08 -34.0735 41.0912 6.25374 -8.54831 -36.0653 -8.21258 -18.4276 TIMING: 583200 CPU: 1818.18, 0.00312303/step Wall: 1818.18, 0.00312303/step, 3.83161 hours remaining, 233.734375 MB of memory in use. ENERGY: 583200 3951.0771 20431.1487 14434.8097 221.3752 -202798.5253 2550.7130 0.0000 0.0000 51890.5782 -109318.8234 298.2159 -161209.4016 -108952.3521 298.4455 -60.7966 -31.9257 764721.5610 -15.4988 -15.4652 PRESSURE: 583400 -270.734 211.156 -22.5936 211.155 101.822 89.9203 -22.5938 89.9214 -280.724 GPRESSURE: 583400 -213.356 132.123 3.39792 359.714 69.8251 -100.941 46.0815 -47.2417 -221.863 PRESSAVG: 583400 -84.5513 32.7874 -22.9597 32.7873 64.1764 -40.2938 -22.9597 -40.2938 16.2334 GPRESSAVG: 583400 -83.9277 33.9724 -22.5505 32.6172 63.8245 -41.5818 -21.9056 -40.7494 16.3202 TIMING: 583400 CPU: 1818.8, 0.00310603/step Wall: 1818.8, 0.00310603/step, 3.81058 hours remaining, 233.734375 MB of memory in use. ENERGY: 583400 3983.6272 20378.3879 14415.7694 248.5986 -203019.3177 2709.6837 0.0000 0.0000 52061.9914 -109221.2595 299.2010 -161283.2509 -108854.4578 298.2643 -149.8787 -121.7980 763777.0955 -1.3805 -1.2610 PRESSURE: 583600 16.3796 40.4111 61.1285 40.4099 51.1442 220.157 61.1286 220.157 294.739 GPRESSURE: 583600 118.662 49.9893 4.09201 -60.3931 41.2052 189.484 20.5717 135.458 289.179 PRESSAVG: 583600 7.12627 -27.8031 2.76845 -27.8031 6.72145 47.3921 2.7684 47.3921 3.08188 GPRESSAVG: 583600 8.06027 -29.2148 0.548403 -30.144 6.73422 47.2687 2.92793 46.5616 2.80517 TIMING: 583600 CPU: 1819.42, 0.00310952/step Wall: 1819.42, 0.00310952/step, 3.81469 hours remaining, 233.734375 MB of memory in use. ENERGY: 583600 3956.1058 20408.3866 14387.0965 255.0005 -203198.6887 2893.9962 0.0000 0.0000 52168.4983 -109129.6048 299.8131 -161298.1031 -108770.9650 299.2241 120.7542 149.6823 763233.7006 5.6432 5.8666 PRESSURE: 583800 -187.211 130.623 91.981 130.622 -435.973 -206.915 91.9805 -206.915 101.884 GPRESSURE: 583800 -85.8004 1.77249 123.002 77.885 -405.852 -165.582 73.8461 -206.337 59.7777 PRESSAVG: 583800 5.11367 7.78627 5.61616 7.78629 1.42508 10.2711 5.61613 10.2712 -2.15234 GPRESSAVG: 583800 3.93989 9.00878 7.75165 7.55824 2.29808 10.4772 5.96989 10.371 -1.9927 TIMING: 583800 CPU: 1820.04, 0.00312021/step Wall: 1820.04, 0.00312021/step, 3.82764 hours remaining, 233.734375 MB of memory in use. ENERGY: 583800 4001.2460 20629.4426 14384.2497 235.4657 -202865.4889 2419.4396 0.0000 0.0000 52012.8589 -109182.7865 298.9186 -161195.6454 -108832.0938 299.3434 -173.7667 -143.9583 763772.9087 1.4621 1.4151 PRESSURE: 584000 -302.023 -191.818 -146.786 -191.817 -340.424 -183.751 -146.786 -183.752 -186.696 GPRESSURE: 584000 -287.424 -160.427 -127.564 -185.387 -309.54 -135.389 -89.1234 -82.9018 -138.669 PRESSAVG: 584000 -13.3489 -42.2172 54.7694 -42.2172 28.0942 7.96316 54.7694 7.96315 -0.269714 GPRESSAVG: 584000 -11.9192 -43.265 52.3361 -40.37 26.149 7.53159 55.4176 8.86443 -0.380785 TIMING: 584000 CPU: 1820.67, 0.00310919/step Wall: 1820.67, 0.00310919/step, 3.81394 hours remaining, 233.734375 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: 584000 4033.5112 20570.0944 14460.7214 237.0834 -202639.7205 2480.7478 0.0000 0.0000 51854.0503 -109003.5122 298.0059 -160857.5624 -108639.0007 299.1103 -276.3810 -245.2110 765126.7060 4.8252 4.6163 PRESSURE: 584200 -435.312 -4.60314 260.992 -4.6032 -163.915 47.6399 260.992 47.6404 -299.133 GPRESSURE: 584200 -384.321 99.1186 221.194 47.2019 -84.3891 -72.5479 224.416 -2.29089 -351.183 PRESSAVG: 584200 -14.9639 -41.9254 2.01102 -41.9254 11.9691 37.7147 2.01097 37.7147 -24.1693 GPRESSAVG: 584200 -14.6061 -42.1808 3.26208 -42.6223 12.0872 38.3906 -0.521572 35.7639 -24.5528 TIMING: 584200 CPU: 1821.29, 0.00310075/step Wall: 1821.29, 0.00310075/step, 3.80342 hours remaining, 233.734375 MB of memory in use. ENERGY: 584200 3973.6766 20443.9209 14388.5525 242.9207 -202610.6819 2464.1004 0.0000 0.0000 52009.8904 -109087.6203 298.9016 -161097.5107 -108718.1706 299.2025 -299.4530 -273.2976 763434.1088 -9.0547 -9.0239 LDB: ============= START OF LOAD BALANCING ============== 1833.76 LDB: ============== END OF LOAD BALANCING =============== 1833.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1833.76 LDB: ============= START OF LOAD BALANCING ============== 1834.07 LDB: Largest compute 7010 load 0.029773 is 15.3% of average load 0.195020 LDB: Average compute 0.004372 is 2.2% of average load 0.195020 LDB: TIME 1834.08 LOAD: AVG 0.19502 MAX 0.21577 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.785 MB LDB: TIME 1834.08 LOAD: AVG 0.19502 MAX 0.21577 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.785 MB LDB: TIME 1834.08 LOAD: AVG 0.19502 MAX 0.21577 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.785 MB LDB: ============== END OF LOAD BALANCING =============== 1834.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1834.08 PRESSURE: 584400 -77.7427 -36.5065 -58.1422 -36.5061 219.285 -31.3655 -58.142 -31.3649 175.04 GPRESSURE: 584400 30.2338 -213.581 -28.0017 42.4915 203.987 -89.5501 -42.4574 -3.13394 162.649 PRESSAVG: 584400 -2.84443 -26.2229 -31.4476 -26.2229 -28.6752 27.5832 -31.4476 27.5832 16.6968 GPRESSAVG: 584400 -3.30297 -26.3921 -32.8669 -24.2009 -28.4942 28.0327 -30.0836 27.2686 16.4977 TIMING: 584400 CPU: 1821.92, 0.00315448/step Wall: 1821.92, 0.00315448/step, 3.86915 hours remaining, 235.644531 MB of memory in use. ENERGY: 584400 3946.1526 20674.1963 14389.8484 251.5098 -203482.1322 3263.7936 0.0000 0.0000 52112.7027 -108843.9289 299.4924 -160956.6315 -108492.0353 299.5115 105.5275 132.2900 764795.2975 -4.9410 -5.0998 PRESSURE: 584600 -66.2548 36.2961 13.6367 36.2963 -159.013 -10.8063 13.6367 -10.8057 203.624 GPRESSURE: 584600 0.839616 40.2049 25.2216 -41.3246 -165.758 27.833 -53.5108 33.7477 212.397 PRESSAVG: 584600 -12.6737 -61.0417 9.06847 -61.0416 22.8858 -53.7379 9.0685 -53.7379 -0.208332 GPRESSAVG: 584600 -13.8056 -61.1028 9.74868 -63.9274 23.5646 -53.9632 8.59959 -51.7878 -0.278838 TIMING: 584600 CPU: 1822.54, 0.00311091/step Wall: 1822.54, 0.00311091/step, 3.81553 hours remaining, 235.644531 MB of memory in use. ENERGY: 584600 3928.6536 20592.1594 14430.3575 233.4274 -203582.5947 3079.1130 0.0000 0.0000 52311.7536 -109007.1302 300.6364 -161318.8839 -108639.1750 299.7200 -7.2146 15.8264 764140.0635 3.3346 3.1600 PRESSURE: 584800 -355.519 102.274 -62.882 102.275 -197.298 44.7529 -62.8824 44.7534 -210.703 GPRESSURE: 584800 -377.472 62.9817 -72.8659 107.769 -147.072 45.0672 -47.0925 63.6233 -159.178 PRESSAVG: 584800 -23.2871 -21.0368 -22.2618 -21.0367 58.5255 -7.87441 -22.2618 -7.87436 -24.3065 GPRESSAVG: 584800 -21.882 -20.2202 -20.2329 -20.5621 57.1314 -7.52045 -22.0854 -7.88704 -24.388 TIMING: 584800 CPU: 1823.16, 0.00310597/step Wall: 1823.16, 0.00310597/step, 3.80929 hours remaining, 235.644531 MB of memory in use. ENERGY: 584800 3953.3670 20629.3103 14471.6643 253.1122 -202737.4577 2521.0882 0.0000 0.0000 52013.5698 -108895.3459 298.9227 -160908.9157 -108532.6569 299.2627 -254.5065 -227.9070 764424.6928 3.6440 3.6205 PRESSURE: 585000 -134.639 33.2859 -227.977 33.2865 2.8462 -53.9241 -227.978 -53.9236 -35.8021 GPRESSURE: 585000 -165.613 142.684 -210.706 30.1707 84.2741 48.5499 -334.759 -55.9999 -0.508421 PRESSAVG: 585000 -85.8209 -3.25933 -29.8501 -3.25939 74.2427 5.74065 -29.8501 5.74075 5.59803 GPRESSAVG: 585000 -87.2399 -4.11608 -30.8023 -2.77547 75.5281 6.28732 -29.8787 4.52175 6.08937 TIMING: 585000 CPU: 1823.78, 0.00311861/step Wall: 1823.78, 0.00311861/step, 3.82463 hours remaining, 235.644531 MB of memory in use. ENERGY: 585000 3981.7798 20640.0617 14410.7493 254.6959 -203039.4475 2802.0995 0.0000 0.0000 52137.4888 -108812.5724 299.6349 -160950.0613 -108452.2955 299.4474 -55.8650 -27.2826 766271.9251 -1.9934 -1.8741 PRESSURE: 585200 -414.614 175.776 114.747 175.776 123.299 -7.38016 114.746 -7.3794 234.538 GPRESSURE: 585200 -307.044 167.051 112.159 128.164 123.84 -2.55822 -40.5952 3.05514 199.036 PRESSAVG: 585200 -31.3525 25.706 -13.0254 25.706 96.4757 30.839 -13.0253 30.8391 -3.45783 GPRESSAVG: 585200 -30.1746 27.8355 -14.0436 24.4559 97.4015 28.6578 -11.6931 31.7309 -4.92848 TIMING: 585200 CPU: 1824.41, 0.00312725/step Wall: 1824.41, 0.00312725/step, 3.83505 hours remaining, 235.644531 MB of memory in use. ENERGY: 585200 4005.2947 20765.0652 14432.0913 249.4941 -202807.5448 2577.7366 0.0000 0.0000 51833.4653 -108944.3975 297.8876 -160777.8628 -108590.5847 299.7947 -18.9258 5.2773 764079.2860 20.5552 20.7661 PRESSURE: 585400 -323.959 -5.2527 -219.523 -5.25268 -14.8844 -150.096 -219.523 -150.097 148.368 GPRESSURE: 585400 -233.059 -67.8413 -193.326 168.578 -20.6724 -70.0801 -307.75 -90.3585 141.763 PRESSAVG: 585400 -53.9544 14.2362 7.6933 14.2362 60.4343 -25.2542 7.69333 -25.2541 -21.7349 GPRESSAVG: 585400 -55.695 14.1826 7.9642 16.5014 60.435 -21.8618 6.84363 -26.7518 -20.11 TIMING: 585400 CPU: 1825.04, 0.00313111/step Wall: 1825.04, 0.00313111/step, 3.83961 hours remaining, 235.644531 MB of memory in use. ENERGY: 585400 3974.1551 20642.6514 14355.5357 234.6772 -203196.5276 2950.4507 0.0000 0.0000 51957.8587 -109081.1988 298.6025 -161039.0576 -108725.9756 299.5778 -63.4918 -37.3228 765908.4802 -5.0850 -5.1233 PRESSURE: 585600 16.6305 -96.1389 178.633 -96.14 44.3131 -112.619 178.632 -112.619 108.498 GPRESSURE: 585600 128.148 -51.4665 154.653 -35.1331 90.345 -63.9732 135.908 -75.9166 41.9158 PRESSAVG: 585600 -26.2401 24.4286 40.7559 24.4286 60.5807 37.3183 40.7559 37.3183 23.8486 GPRESSAVG: 585600 -24.6504 25.0313 39.1434 22.3446 60.1075 35.1318 42.0568 37.7692 22.7485 TIMING: 585600 CPU: 1825.66, 0.00311512/step Wall: 1825.66, 0.00311512/step, 3.81983 hours remaining, 235.644531 MB of memory in use. ENERGY: 585600 4062.0789 20541.5659 14456.3271 260.5429 -203324.4862 2917.3538 0.0000 0.0000 52152.5793 -108934.0383 299.7216 -161086.6176 -108571.1357 299.0993 56.4804 86.8030 763028.4505 19.3964 19.4019 PRESSURE: 585800 -67.191 -182.723 -153.447 -182.723 -400.616 96.8331 -153.447 96.8325 27.0201 GPRESSURE: 585800 -27.1897 -70.8586 -113.111 -153.039 -430.175 85.1176 -120.705 101.74 114.107 PRESSAVG: 585800 -57.6416 32.9128 36.1478 32.9128 65.5106 -21.7636 36.1478 -21.7637 19.2531 GPRESSAVG: 585800 -57.636 30.9796 38.8512 35.4895 64.9687 -20.2161 34.9028 -21.0382 20.2291 TIMING: 585800 CPU: 1826.28, 0.00311409/step Wall: 1826.28, 0.00311409/step, 3.8184 hours remaining, 235.644531 MB of memory in use. ENERGY: 585800 4033.7571 20630.0995 14439.8104 260.6973 -202978.0412 2424.5523 0.0000 0.0000 51809.2628 -109379.8618 297.7485 -161189.1246 -109021.0495 299.2613 -146.9290 -114.4192 765045.7669 9.0407 9.1873 PRESSURE: 586000 -364.211 5.50447 -23.0909 5.5047 143.919 -123.856 -23.0898 -123.858 -237.752 GPRESSURE: 586000 -329.024 46.563 -112.663 -126.169 189.916 -148.268 -25.0423 -37.3741 -220.012 PRESSAVG: 586000 -4.66322 11.4842 19.8105 11.4841 -2.78033 31.4602 19.8105 31.4602 10.3507 GPRESSAVG: 586000 -5.36901 12.067 18.3366 10.2596 -2.10965 30.0652 19.5915 31.0345 10.1908 TIMING: 586000 CPU: 1826.9, 0.00311573/step Wall: 1826.9, 0.00311573/step, 3.82023 hours remaining, 235.644531 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: 586000 3935.1656 20534.7970 14416.6303 234.0920 -203577.1685 2861.9951 0.0000 0.0000 52141.4768 -109453.0117 299.6578 -161594.4886 -109095.3473 298.3107 -152.6812 -119.7065 763505.7760 0.9690 0.9041 PRESSURE: 586200 -319.682 -180.312 206.882 -180.312 -192.21 -60.1844 206.882 -60.1848 -219.307 GPRESSURE: 586200 -265.329 -211.654 207.77 -226.85 -179.07 -126.724 227.446 -25.7255 -228.441 PRESSAVG: 586200 -28.3031 -12.7584 27.4648 -12.7584 11.5041 -13.9771 27.4648 -13.9771 12.2564 GPRESSAVG: 586200 -27.6491 -11.6904 27.9342 -13.9898 12.0789 -13.901 28.4266 -12.0112 11.0717 TIMING: 586200 CPU: 1827.52, 0.00309352/step Wall: 1827.52, 0.00309352/step, 3.79282 hours remaining, 235.644531 MB of memory in use. ENERGY: 586200 3963.8334 20623.7449 14420.9676 256.2918 -202805.9960 2465.9840 0.0000 0.0000 51716.5729 -109358.6014 297.2159 -161075.1743 -108999.7196 298.4109 -243.7330 -224.2803 764455.7742 -1.5142 -1.4995 PRESSURE: 586400 -26.6524 -44.2839 213.832 -44.283 -230.25 194.197 213.832 194.198 -246.75 GPRESSURE: 586400 -52.3498 -17.0381 261.939 -126.357 -147.63 143.262 112.81 194.034 -229.463 PRESSAVG: 586400 -49.8999 -17.1344 -7.49612 -17.1344 44.8732 -7.3165 -7.49614 -7.31656 16.5172 GPRESSAVG: 586400 -48.974 -18.0738 -8.22756 -18.0592 44.2518 -6.21144 -6.47398 -8.10181 16.2469 TIMING: 586400 CPU: 1828.14, 0.00310481/step Wall: 1828.14, 0.00310481/step, 3.8065 hours remaining, 235.644531 MB of memory in use. ENERGY: 586400 4046.4092 20578.3810 14449.5960 256.7605 -203084.9366 2683.6345 0.0000 0.0000 51951.2523 -109118.9031 298.5646 -161070.1554 -108779.0786 298.9298 -167.8838 -143.1477 763661.8075 3.8302 3.8416 PRESSURE: 586600 -233.395 51.9571 -87.8504 51.9567 -53.4474 142.381 -87.8508 142.381 181.955 GPRESSURE: 586600 -198.363 23.2771 -27.1111 19.8712 63.9828 90.3122 -27.0094 56.7752 121.93 PRESSAVG: 586600 -51.19 3.14563 24.6849 3.14563 14.7145 -4.39051 24.6848 -4.39049 7.11113 GPRESSAVG: 586600 -51.5953 2.70213 25.8908 2.59426 15.9579 -5.62011 22.9763 -4.47594 6.19845 TIMING: 586600 CPU: 1828.77, 0.0031044/step Wall: 1828.77, 0.0031044/step, 3.80582 hours remaining, 235.644531 MB of memory in use. ENERGY: 586600 3981.3075 20475.1928 14456.0813 239.7103 -203258.5732 2967.5857 0.0000 0.0000 52119.4952 -109019.2004 299.5315 -161138.6956 -108648.5548 298.9699 -34.9627 -4.1501 762118.7422 -9.7881 -9.8130 PRESSURE: 586800 -39.1233 -188.868 109.896 -188.868 242.221 71.7188 109.896 71.7194 -147.928 GPRESSURE: 586800 60.1084 -248.817 71.3553 -167.845 241.856 7.80747 176.783 5.74969 -173.165 PRESSAVG: 586800 -11.3677 38.7029 20.1813 38.7029 7.97905 27.7658 20.1813 27.7658 -6.82067 GPRESSAVG: 586800 -11.488 37.6482 19.4932 39.7037 6.53225 28.1495 21.4295 25.2513 -5.25894 TIMING: 586800 CPU: 1829.39, 0.00310409/step Wall: 1829.39, 0.00310409/step, 3.80527 hours remaining, 235.644531 MB of memory in use. ENERGY: 586800 3999.5243 20519.1840 14418.2275 276.8491 -203550.6100 3081.4281 0.0000 0.0000 52154.3092 -109101.0877 299.7315 -161255.3969 -108740.3816 299.3618 18.3899 42.9333 763656.0524 -3.4031 -3.4049 PRESSURE: 587000 91.8602 -146.019 224.328 -146.018 -236.715 -69.4679 224.328 -69.4694 111.195 GPRESSURE: 587000 66.9816 30.9809 185.805 -90.7559 -112.626 -104.526 197.684 130.617 106.156 PRESSAVG: 587000 -61.0694 -37.6989 53.3694 -37.6988 75.6521 -21.5325 53.3694 -21.5324 -20.7251 GPRESSAVG: 587000 -59.3045 -35.1324 54.6195 -37.8524 74.4316 -22.0706 51.9022 -18.9404 -21.1984 TIMING: 587000 CPU: 1830.01, 0.00312164/step Wall: 1830.01, 0.00312164/step, 3.82661 hours remaining, 235.644531 MB of memory in use. ENERGY: 587000 4089.7875 20637.8538 14437.3496 244.2281 -203604.1643 2928.1646 0.0000 0.0000 52334.9245 -108931.8561 300.7695 -161266.7806 -108570.6086 300.0765 -11.2200 20.1706 762561.5915 -2.0475 -2.0238 PRESSURE: 587200 -225.948 -76.4849 55.2456 -76.4851 -380.499 -249.176 55.2449 -249.175 -385.939 GPRESSURE: 587200 -230.48 50.7813 133.225 -37.9261 -363.984 -183.38 22.5155 -223.4 -306.287 PRESSAVG: 587200 -48.7018 -33.888 49.9878 -33.888 25.221 -10.0887 49.9878 -10.0888 -21.9306 GPRESSAVG: 587200 -50.1313 -35.1001 48.5338 -33.051 26.6872 -7.93548 51.4817 -10.6286 -22.1138 TIMING: 587200 CPU: 1830.63, 0.00311466/step Wall: 1830.63, 0.00311466/step, 3.81788 hours remaining, 235.644531 MB of memory in use. ENERGY: 587200 4107.8097 20516.9656 14524.9208 239.1246 -202776.0389 2457.8791 0.0000 0.0000 52106.5433 -108822.7958 299.4570 -160929.3391 -108458.9854 300.2501 -330.7953 -300.2504 763789.9552 -15.1371 -15.1860 PRESSURE: 587400 26.4398 -118.699 2.9861 -118.699 156.828 13.6209 2.98662 13.6199 -98.2793 GPRESSURE: 587400 170.5 -275.029 -57.3407 -40.6147 125.421 8.14598 65.2127 -0.459896 -116.084 PRESSAVG: 587400 10.0665 -39.6653 -0.281519 -39.6653 17.7056 22.9735 -0.28148 22.9736 21.5859 GPRESSAVG: 587400 10.3955 -38.868 -0.553548 -40.1512 16.8799 20.9316 -1.0515 24.0925 22.2118 TIMING: 587400 CPU: 1831.25, 0.00310195/step Wall: 1831.25, 0.00310195/step, 3.80213 hours remaining, 235.644531 MB of memory in use. ENERGY: 587400 4040.6831 20512.6561 14492.7512 262.7151 -202988.1636 2841.3988 0.0000 0.0000 52123.1553 -108714.8040 299.5525 -160837.9594 -108339.3341 300.2217 28.3296 59.9457 762356.5634 16.4527 16.4957 PRESSURE: 587600 -207.565 19.8683 -37.2306 19.8679 -21.2157 293.647 -37.2303 293.647 -32.3796 GPRESSURE: 587600 -209.828 77.3936 14.1619 121.955 22.4094 333.655 50.6208 271.446 14.8433 PRESSAVG: 587600 9.07535 -23.6927 58.6155 -23.6926 -35.7173 12.7766 58.6156 12.7765 -16.0626 GPRESSAVG: 587600 9.7144 -26.3097 57.7467 -20.6425 -36.1045 12.7127 59.2201 13.0109 -16.0598 TIMING: 587600 CPU: 1831.88, 0.00310897/step Wall: 1831.88, 0.00310897/step, 3.81056 hours remaining, 235.644531 MB of memory in use. ENERGY: 587600 3965.2249 20611.0176 14481.4510 243.0722 -203185.6586 2674.8211 0.0000 0.0000 52248.9192 -108961.1526 300.2753 -161210.0718 -108599.2646 299.6391 -87.0534 -57.5250 763374.5238 -14.2348 -14.1499 PRESSURE: 587800 -164.103 182.081 49.9224 182.081 -26.0296 196.948 49.9212 196.949 -326.521 GPRESSURE: 587800 -191.44 233.955 119.818 212.091 80.3666 228.089 -7.20182 172.452 -307.162 PRESSAVG: 587800 19.1729 -56.8638 21.585 -56.8638 -37.4251 66.7138 21.585 66.7137 26.9169 GPRESSAVG: 587800 18.1219 -55.5788 21.7568 -59.0044 -35.5206 67.625 21.08 66.6103 26.9576 TIMING: 587800 CPU: 1832.5, 0.00310766/step Wall: 1832.5, 0.00310766/step, 3.80879 hours remaining, 235.644531 MB of memory in use. ENERGY: 587800 4006.6511 20730.8887 14409.6892 245.4222 -203089.9404 2757.2961 0.0000 0.0000 52101.2665 -108838.7266 299.4267 -160939.9931 -108477.9828 300.5027 -172.2179 -139.4117 763831.4875 2.8882 3.1863 PRESSURE: 588000 -227.618 -41.3267 168.872 -41.3269 180.342 -102.194 168.872 -102.194 188.288 GPRESSURE: 588000 -193.481 8.30851 158.542 1.80594 231.361 -65.9503 207.282 -97.3229 186.487 PRESSAVG: 588000 -64.8477 28.3963 -58.0395 28.3963 50.5992 44.6454 -58.0395 44.6454 5.69992 GPRESSAVG: 588000 -64.3107 28.5726 -56.5302 28.2671 48.9296 45.2579 -57.7863 41.7227 6.71468 TIMING: 588000 CPU: 1833.12, 0.00311472/step Wall: 1833.12, 0.00311472/step, 3.81726 hours remaining, 235.644531 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: 588000 4028.1982 20589.0884 14401.7394 253.5372 -203074.0972 2821.3287 0.0000 0.0000 52225.4597 -108754.7455 300.1404 -160980.2053 -108396.0311 300.3895 47.0040 74.7891 763547.9216 -2.8495 -2.8888 PRESSURE: 588200 -257.695 217.916 116.544 217.916 -266.054 -235.825 116.544 -235.826 -234.634 GPRESSURE: 588200 -246.532 262.787 73.6771 168.86 -186.737 -180.932 104.311 -197.004 -254.923 PRESSAVG: 588200 -35.2335 -30.5363 -16.4771 -30.5363 36.3607 6.90589 -16.4771 6.90586 14.1605 GPRESSAVG: 588200 -36.1011 -30.9206 -17.0535 -31.0323 37.0272 7.56735 -19.1375 8.45149 13.6819 TIMING: 588200 CPU: 1833.74, 0.00310888/step Wall: 1833.74, 0.00310888/step, 3.80993 hours remaining, 235.644531 MB of memory in use. ENERGY: 588200 4130.5956 20758.8193 14325.2270 237.0635 -202774.1874 2407.7950 0.0000 0.0000 52035.9975 -108878.6895 299.0516 -160914.6870 -108527.9157 299.7705 -252.7944 -229.3973 764009.4006 5.0959 4.8693 LDB: ============= START OF LOAD BALANCING ============== 1846.22 LDB: ============== END OF LOAD BALANCING =============== 1846.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1846.22 LDB: ============= START OF LOAD BALANCING ============== 1846.53 LDB: Largest compute 7010 load 0.031746 is 16.3% of average load 0.194914 LDB: Average compute 0.004370 is 2.2% of average load 0.194914 LDB: TIME 1846.53 LOAD: AVG 0.194914 MAX 0.214754 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.102 MB LDB: TIME 1846.53 LOAD: AVG 0.194914 MAX 0.214754 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.102 MB LDB: TIME 1846.53 LOAD: AVG 0.194914 MAX 0.214754 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.102 MB LDB: ============== END OF LOAD BALANCING =============== 1846.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1846.54 PRESSURE: 588400 100.269 -98.7851 -26.583 -98.7857 90.0994 172.505 -26.5835 172.504 21.5988 GPRESSURE: 588400 78.6869 -184.752 -45.7182 -33.3179 75.3024 127.125 -20.4023 77.6135 144.435 PRESSAVG: 588400 -18.8297 -51.7019 42.4418 -51.7018 25.8611 -11.8256 42.4418 -11.8256 8.87959 GPRESSAVG: 588400 -17.6811 -52.0368 41.2408 -51.6756 25.4602 -13.4559 45.2908 -10.6517 8.11689 TIMING: 588400 CPU: 1834.38, 0.00316638/step Wall: 1834.38, 0.00316638/step, 3.88023 hours remaining, 234.804688 MB of memory in use. ENERGY: 588400 3949.2858 20604.0731 14323.0422 249.9579 -202679.6627 2422.3592 0.0000 0.0000 52163.6515 -108967.2932 299.7852 -161130.9446 -108602.0510 299.5312 70.6558 99.4747 764097.2511 5.3037 5.2987 PRESSURE: 588600 170.829 -2.37953 8.41326 -2.38043 -193.909 63.7676 8.413 63.7678 332.145 GPRESSURE: 588600 190.688 -94.7374 72.5985 165.315 -162.211 16.4159 202.811 139.001 356.296 PRESSAVG: 588600 56.3463 -42.8164 -9.46646 -42.8164 -39.5885 -1.48153 -9.46645 -1.48145 38.2689 GPRESSAVG: 588600 55.9793 -41.9813 -9.19455 -43.2148 -40.1522 -0.386437 -8.28217 -1.24499 39.1229 TIMING: 588600 CPU: 1834.99, 0.00308614/step Wall: 1834.99, 0.00308614/step, 3.78172 hours remaining, 235.003906 MB of memory in use. ENERGY: 588600 4052.4077 20695.8594 14409.5840 263.4096 -203080.2466 2816.1067 0.0000 0.0000 51924.1214 -108918.7578 298.4086 -160842.8792 -108573.2587 299.5701 103.0220 128.2576 763093.2165 18.3422 18.3167 PRESSURE: 588800 -136.157 -3.95882 114.685 -3.9591 244.581 52.0672 114.685 52.0672 3.60642 GPRESSURE: 588800 -30.6187 165.327 126.43 -6.09749 294.798 152.134 72.5693 109.126 -50.6503 PRESSAVG: 588800 27.9876 26.769 16.4117 26.769 -0.465457 39.5818 16.4117 39.5818 12.9447 GPRESSAVG: 588800 27.9479 28.0939 15.3141 29.3994 -0.226898 40.0092 15.5151 39.5157 12.4325 TIMING: 588800 CPU: 1835.61, 0.00309512/step Wall: 1835.61, 0.00309512/step, 3.79255 hours remaining, 235.003906 MB of memory in use. ENERGY: 588800 4056.0870 20423.1600 14413.9252 262.0313 -203464.2377 3096.6541 0.0000 0.0000 52236.2006 -108976.1795 300.2022 -161212.3801 -108617.7535 299.3054 37.3435 71.1763 764636.3894 13.4890 13.3845 PRESSURE: 589000 -82.8381 66.2723 -203.467 66.2721 162.82 -117.742 -203.466 -117.743 87.0227 GPRESSURE: 589000 -0.526933 95.9895 -65.4177 44.194 168.209 -206.261 -233.957 -234.524 74.0535 PRESSAVG: 589000 -9.63567 -24.4499 -2.99617 -24.4499 -32.159 -21.7669 -2.9961 -21.7669 0.952152 GPRESSAVG: 589000 -9.56583 -25.38 -1.43839 -26.2626 -31.6478 -22.6489 -4.87899 -22.7213 -0.0116624 TIMING: 589000 CPU: 1836.23, 0.00308822/step Wall: 1836.23, 0.00308822/step, 3.78393 hours remaining, 235.003906 MB of memory in use. ENERGY: 589000 3984.3788 20646.9432 14365.9457 254.3262 -203344.8883 3060.8650 0.0000 0.0000 52063.5325 -108968.8971 299.2098 -161032.4295 -108612.6843 299.4671 55.6683 80.5784 764231.8794 -13.6142 -13.7418 PRESSURE: 589200 -72.6029 -161.493 -2.20567 -161.494 15.7371 -49.4043 -2.20578 -49.4039 75.8926 GPRESSURE: 589200 92.6315 -122.848 -32.4972 8.98953 -54.0405 -73.1917 -81.2513 -152.649 70.5745 PRESSAVG: 589200 -1.86572 27.2132 5.23657 27.2131 42.9887 -37.4708 5.23655 -37.4708 -10.2017 GPRESSAVG: 589200 -2.52182 24.8223 5.34298 28.1668 42.7312 -37.0353 4.96372 -39.1013 -9.93397 TIMING: 589200 CPU: 1836.85, 0.00310269/step Wall: 1836.85, 0.00310269/step, 3.80148 hours remaining, 235.003906 MB of memory in use. ENERGY: 589200 4024.8582 20471.5013 14351.1093 254.5727 -203509.2238 2935.3045 0.0000 0.0000 52255.9932 -109215.8847 300.3159 -161471.8779 -108860.4830 299.7457 6.3423 36.3885 764669.3349 10.3071 10.0918 PRESSURE: 589400 147.831 36.7348 167.631 36.7359 230.776 122.299 167.631 122.299 -6.32158 GPRESSURE: 589400 204.626 79.4085 145.771 81.5707 232.776 68.0892 182.53 98.4189 1.72019 PRESSAVG: 589400 3.003 -20.9967 -4.57335 -20.9967 44.2518 18.3971 -4.57332 18.3971 -3.10192 GPRESSAVG: 589400 2.95913 -18.1753 -3.85129 -22.6731 43.6504 19.6305 -4.34735 19.718 -2.63211 TIMING: 589400 CPU: 1837.47, 0.00310483/step Wall: 1837.47, 0.00310482/step, 3.80393 hours remaining, 235.003906 MB of memory in use. ENERGY: 589400 3980.9070 20662.3473 14341.4862 245.6860 -203354.6534 2954.7714 0.0000 0.0000 51824.2810 -109345.1746 297.8349 -161169.4556 -108989.4329 298.9723 124.0952 146.3742 764435.2666 14.7176 14.6591 PRESSURE: 589600 -4.65405 49.1878 -50.7998 49.1885 135.46 290.309 -50.7997 290.309 313.858 GPRESSURE: 589600 111.702 145.447 12.4845 -93.6142 158.709 220.454 88.2665 152.063 276.196 PRESSAVG: 589600 -27.0187 15.7379 19.2895 15.738 -0.936892 -6.17903 19.2894 -6.17902 6.40804 GPRESSAVG: 589600 -27.6343 14.0484 18.8922 15.707 -0.257542 -6.86186 21.1532 -3.66663 7.24818 TIMING: 589600 CPU: 1838.09, 0.00309317/step Wall: 1838.09, 0.00309317/step, 3.78948 hours remaining, 235.003906 MB of memory in use. ENERGY: 589600 4017.2203 20404.4776 14323.3828 258.8334 -203112.3753 2669.7729 0.0000 0.0000 52070.1063 -109368.5819 299.2476 -161438.6882 -109001.0176 298.9196 148.2213 182.2026 763176.4154 -7.1825 -6.8812 PRESSURE: 589800 5.62824 -339.083 238.315 -339.084 21.0757 -66.3686 238.315 -66.3691 -71.2314 GPRESSURE: 589800 -24.8895 -284.542 261.537 -298.104 96.1706 -87.8022 84.4173 -114.036 -30.9642 PRESSAVG: 589800 -42.5207 -17.8288 15.8781 -17.8288 45.4668 -32.4088 15.8781 -32.4088 3.57539 GPRESSAVG: 589800 -40.5825 -17.2858 14.6726 -14.4171 44.9014 -33.3669 15.9987 -34.9368 2.95368 TIMING: 589800 CPU: 1838.71, 0.00310632/step Wall: 1838.71, 0.00310632/step, 3.80541 hours remaining, 235.003906 MB of memory in use. ENERGY: 589800 3926.2785 20675.4974 14391.4949 261.8976 -203272.1330 2668.4991 0.0000 0.0000 51923.8372 -109424.6283 298.4070 -161348.4655 -109060.6415 298.4712 -14.8425 13.4389 763615.0320 2.1738 2.4242 PRESSURE: 590000 -283.412 120.142 -3.78229 120.141 -364.876 249.434 -3.78113 249.435 435.123 GPRESSURE: 590000 -292.467 266.674 76.8489 -10.3305 -313.415 158.94 103.702 108.264 459.122 PRESSAVG: 590000 -34.7363 16.7109 -13.035 16.7108 9.33457 -78.9496 -13.0349 -78.9496 -7.34836 GPRESSAVG: 590000 -36.192 18.9059 -11.0695 14.9396 9.97 -78.68 -14.1028 -77.8777 -6.49772 TIMING: 590000 CPU: 1839.33, 0.00309285/step Wall: 1839.33, 0.00309285/step, 3.78875 hours remaining, 235.003906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 590000 4105.3281 20225.1202 14369.7462 273.2200 -202932.8949 2521.0117 0.0000 0.0000 52148.6859 -109289.7828 299.6992 -161438.4687 -108920.5837 298.4592 -71.0548 -48.9203 763851.2686 -10.9167 -10.9066 PRESSURE: 590200 147.405 -59.4197 -40.6166 -59.4203 -89.7772 134.994 -40.6169 134.996 339.804 GPRESSURE: 590200 113.538 -59.4037 -62.7123 -41.9817 -25.6528 74.8853 -117.492 188.575 377.811 PRESSAVG: 590200 -15.8657 21.0752 6.24574 21.0752 27.7255 -22.509 6.24573 -22.509 -3.37743 GPRESSAVG: 590200 -15.0986 19.5486 6.47653 20.8762 27.4212 -21.3457 7.47559 -23.9858 -4.11688 TIMING: 590200 CPU: 1839.95, 0.00310438/step Wall: 1839.95, 0.00310438/step, 3.80269 hours remaining, 235.003906 MB of memory in use. ENERGY: 590200 4013.5320 20511.8546 14385.5014 242.9522 -203372.7911 2749.7089 0.0000 0.0000 52059.2376 -109410.0045 299.1852 -161469.2421 -109054.0958 298.9358 132.4775 155.2324 761864.7180 2.8275 2.7352 PRESSURE: 590400 50.8038 168.562 15.1817 168.562 -80.7578 -74.4582 15.1821 -74.4583 -97.6959 GPRESSURE: 590400 -11.2394 160.304 56.7472 128.721 3.09084 -34.3413 112.483 -96.5889 -31.6685 PRESSAVG: 590400 -7.97482 -8.63209 -6.32087 -8.63209 -9.14503 -6.02308 -6.32082 -6.02311 10.885 GPRESSAVG: 590400 -8.08368 -8.29218 -6.66354 -9.67686 -9.23721 -6.46079 -7.47915 -4.94699 11.2733 TIMING: 590400 CPU: 1840.57, 0.00310697/step Wall: 1840.57, 0.00310697/step, 3.8057 hours remaining, 235.003906 MB of memory in use. ENERGY: 590400 4012.2829 20603.9495 14331.4800 222.8776 -203538.7154 2971.0977 0.0000 0.0000 51948.6851 -109448.3425 298.5498 -161397.0276 -109089.8133 298.6564 -42.5500 -13.2724 762485.4806 -2.0783 -2.0159 PRESSURE: 590600 218.355 -64.9224 -168.259 -64.9232 -80.1115 56.6957 -168.259 56.6944 -188.018 GPRESSURE: 590600 173.968 7.09177 -85.7433 -105.216 -26.9865 71.4525 -259.779 211.125 -114.864 PRESSAVG: 590600 -50.8922 16.0653 26.6075 16.0654 15.6212 19.8715 26.6074 19.8715 -2.55804 GPRESSAVG: 590600 -50.6618 16.5502 26.0801 17.7985 16.3668 18.9251 25.4773 18.7974 -3.83363 TIMING: 590600 CPU: 1841.19, 0.00310242/step Wall: 1841.19, 0.00310242/step, 3.79995 hours remaining, 235.003906 MB of memory in use. ENERGY: 590600 3954.9960 20478.0316 14331.8533 251.6684 -203268.2745 2741.1662 0.0000 0.0000 51964.6190 -109545.9400 298.6414 -161510.5590 -109172.8731 298.7083 -16.5915 10.7059 762873.3207 -12.6097 -12.7095 PRESSURE: 590800 -215.363 36.2956 -238.895 36.2963 -469.194 -150.643 -238.896 -150.641 -62.5226 GPRESSURE: 590800 -219.647 128.165 -167.626 -9.60011 -394.84 -242.737 -331.811 -173.793 -37.6951 PRESSAVG: 590800 5.88601 14.4491 -45.1781 14.4492 3.25053 11.9488 -45.1781 11.9489 16.3986 GPRESSAVG: 590800 6.11116 13.1308 -43.0825 14.5772 3.06892 12.2811 -44.0942 12.9402 15.9206 TIMING: 590800 CPU: 1841.81, 0.00311208/step Wall: 1841.81, 0.00311208/step, 3.8116 hours remaining, 235.003906 MB of memory in use. ENERGY: 590800 4011.2911 20462.8029 14343.5045 235.1842 -203220.7344 2563.2306 0.0000 0.0000 51930.9049 -109673.8163 298.4476 -161604.7212 -109309.4322 298.3468 -249.0263 -217.3942 763245.6731 8.5117 8.3669 PRESSURE: 591000 20.8925 -221.38 120.162 -221.379 2.63222 -49.8905 120.162 -49.8899 101.708 GPRESSURE: 591000 -14.0533 -148.183 54.4836 -268.625 189.039 -85.3753 37.4736 109.914 42.1323 PRESSAVG: 591000 -15.7652 24.083 -14.046 24.083 -14.9689 -11.0713 -14.046 -11.0713 5.96408 GPRESSAVG: 591000 -16.0483 26.1417 -15.1052 24.1868 -14.6937 -10.7143 -14.5732 -12.1209 5.88492 TIMING: 591000 CPU: 1842.43, 0.00310418/step Wall: 1842.43, 0.00310418/step, 3.80176 hours remaining, 235.003906 MB of memory in use. ENERGY: 591000 3953.8185 20525.0261 14522.2157 237.7592 -203426.1773 2722.0473 0.0000 0.0000 52023.9560 -109441.3545 298.9824 -161465.3105 -109080.7074 298.5695 41.7443 72.3727 762114.4013 -8.2567 -8.2857 PRESSURE: 591200 -422.584 56.8886 93.9901 56.8893 -79.8276 -14.1569 93.9896 -14.1572 -181.144 GPRESSURE: 591200 -415.541 49.4972 71.2304 -75.1357 -27.9311 -70.049 161.844 38.0991 -175.804 PRESSAVG: 591200 -33.3368 51.1267 24.6545 51.1267 21.5859 0.851564 24.6545 0.851545 24.8487 GPRESSAVG: 591200 -32.7869 51.3231 24.5844 49.8287 20.246 -0.308761 24.35 3.17703 25.322 TIMING: 591200 CPU: 1843.05, 0.00309056/step Wall: 1843.05, 0.00309056/step, 3.78491 hours remaining, 235.003906 MB of memory in use. ENERGY: 591200 4045.1314 20367.6864 14434.6890 249.0412 -203126.8252 2669.9080 0.0000 0.0000 51888.9234 -109471.4458 298.2064 -161360.3692 -109107.7862 298.9596 -227.8519 -206.4256 763557.7632 4.3659 4.2603 PRESSURE: 591400 -7.25469 -137.997 41.0789 -137.996 -11.7165 167.851 41.0791 167.851 -97.8484 GPRESSURE: 591400 -18.4724 -21.2279 102.252 -159.8 119.077 132.536 121.706 97.0598 -116.422 PRESSAVG: 591400 -2.75317 10.3756 55.9696 10.3756 39.7426 34.7487 55.9697 34.7487 -0.42223 GPRESSAVG: 591400 -4.27299 9.1151 56.0463 7.73152 40.2499 33.9651 58.4562 31.3796 0.55292 TIMING: 591400 CPU: 1843.67, 0.00309878/step Wall: 1843.67, 0.00309878/step, 3.7948 hours remaining, 235.003906 MB of memory in use. ENERGY: 591400 3998.9423 20542.3508 14423.6161 225.4104 -203582.2636 2942.5491 0.0000 0.0000 52007.1010 -109442.2940 298.8855 -161449.3949 -109071.0552 298.6763 -38.9399 -5.2725 764088.1132 12.1891 12.1766 PRESSURE: 591600 96.1218 -56.5234 97.3278 -56.5228 110.206 -55.2721 97.3271 -55.2723 -36.2984 GPRESSURE: 591600 120.391 -61.5652 146.828 -58.0595 109.404 26.5575 -14.5578 -52.6111 25.138 PRESSAVG: 591600 -39.0044 29.2715 33.9001 29.2715 20.6819 30.2535 33.9001 30.2535 30.8344 GPRESSAVG: 591600 -37.5287 29.5995 33.5355 32.3272 20.9021 30.9978 34.3891 30.6565 29.515 TIMING: 591600 CPU: 1844.29, 0.00310845/step Wall: 1844.29, 0.00310845/step, 3.80648 hours remaining, 235.003906 MB of memory in use. ENERGY: 591600 4020.3766 20501.7658 14444.4073 259.1682 -203374.7941 2784.3884 0.0000 0.0000 52114.9923 -109249.6955 299.5056 -161364.6878 -108889.2999 299.2573 56.6765 84.9778 763577.2667 4.1707 4.2961 PRESSURE: 591800 67.0521 97.3028 -141.641 97.3021 -0.89847 100.469 -141.641 100.47 315.565 GPRESSURE: 591800 150.362 62.8561 -160.088 40.3113 17.8843 116.155 -123.434 50.7027 309.353 PRESSAVG: 591800 -34.3144 -47.9124 29.1401 -47.9123 32.3966 20.7024 29.14 20.7024 -6.45217 GPRESSAVG: 591800 -35.3635 -49.4564 29.6129 -48.7033 32.1936 22.042 28.5005 20.5729 -5.45367 TIMING: 591800 CPU: 1844.91, 0.00310083/step Wall: 1844.91, 0.00310083/step, 3.79697 hours remaining, 235.003906 MB of memory in use. ENERGY: 591800 3936.5229 20321.5959 14431.3667 277.0151 -203656.4784 3170.1233 0.0000 0.0000 52080.7350 -109439.1195 299.3087 -161519.8546 -109076.5630 299.1698 127.2397 159.1996 762323.0866 -2.7900 -2.8745 PRESSURE: 592000 95.3424 -85.0304 -35.2078 -85.0299 112.999 332.926 -35.2085 332.926 108.511 GPRESSURE: 592000 124.768 -61.3071 4.5369 79.1329 217.557 204.983 23.5356 233.762 72.8137 PRESSAVG: 592000 5.46572 -15.7027 21.9764 -15.7027 9.74616 33.7188 21.9764 33.7188 -0.716957 GPRESSAVG: 592000 5.9942 -14.9236 22.8549 -14.8111 8.98164 32.0397 20.1219 32.2028 -0.807105 TIMING: 592000 CPU: 1845.53, 0.00309638/step Wall: 1845.53, 0.00309638/step, 3.79134 hours remaining, 235.003906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 592000 3964.0251 20513.8650 14456.1308 238.4686 -203563.4138 2910.4038 0.0000 0.0000 52074.8215 -109405.6990 299.2747 -161480.5205 -109049.9138 299.1933 105.6174 138.3798 762108.8477 4.8316 4.7229 PRESSURE: 592200 -46.9729 -274.126 183.562 -274.125 108.891 9.9213 183.562 9.9209 -94.5116 GPRESSURE: 592200 -93.69 -147.918 275.589 -226.642 191.877 -2.32734 108.253 134.491 -40.1699 PRESSAVG: 592200 13.3553 -46.3243 81.4232 -46.3244 22.8237 31.2939 81.4233 31.2939 -13.2829 GPRESSAVG: 592200 12.677 -45.982 81.3839 -47.495 23.0981 31.822 79.8685 32.186 -12.5395 TIMING: 592200 CPU: 1846.16, 0.00310711/step Wall: 1846.16, 0.00310711/step, 3.80431 hours remaining, 235.003906 MB of memory in use. ENERGY: 592200 3994.6441 20634.1873 14347.2403 230.0155 -203157.7173 2634.3441 0.0000 0.0000 52035.1827 -109282.1033 299.0469 -161317.2859 -108929.1863 299.1103 -10.8644 19.3389 761105.1539 7.6320 7.7452 LDB: ============= START OF LOAD BALANCING ============== 1858.63 LDB: ============== END OF LOAD BALANCING =============== 1858.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1858.63 LDB: ============= START OF LOAD BALANCING ============== 1858.94 LDB: Largest compute 7005 load 0.029054 is 14.9% of average load 0.194988 LDB: Average compute 0.004368 is 2.2% of average load 0.194988 LDB: TIME 1858.95 LOAD: AVG 0.194988 MAX 0.217764 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.578 MB LDB: TIME 1858.95 LOAD: AVG 0.194988 MAX 0.217764 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.781 MB LDB: TIME 1858.95 LOAD: AVG 0.194988 MAX 0.217332 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.781 MB LDB: ============== END OF LOAD BALANCING =============== 1858.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1858.96 PRESSURE: 592400 -213.281 68.1236 80.2669 68.124 172.978 -84.0934 80.2671 -84.0927 -102.734 GPRESSURE: 592400 -139.846 67.6446 34.7009 2.83497 131.097 -211.374 109.731 -23.5241 -45.343 PRESSAVG: 592400 -9.22115 -23.4657 25.3107 -23.4657 18.0414 -9.82895 25.3107 -9.82905 7.01629 GPRESSAVG: 592400 -8.29447 -24.2777 23.7728 -22.7744 17.6792 -11.7785 26.1633 -7.49887 6.32342 TIMING: 592400 CPU: 1846.79, 0.00317052/step Wall: 1846.79, 0.00317052/step, 3.88177 hours remaining, 235.011719 MB of memory in use. ENERGY: 592400 3979.4738 20532.8867 14426.1164 260.0826 -203682.3497 2946.1830 0.0000 0.0000 52342.1743 -109195.4329 300.8112 -161537.6071 -108819.8973 299.3660 -47.6793 -18.0306 761558.9982 5.2788 5.2360 PRESSURE: 592600 132.883 330.989 41.976 330.989 -46.8245 166.12 41.976 166.12 184.072 GPRESSURE: 592600 177.346 180.357 8.69243 218.961 -65.882 161.836 37.403 139.895 248.491 PRESSAVG: 592600 -42.7767 9.55095 62.6985 9.55099 0.22198 -6.9983 62.6986 -6.99823 -1.46027 GPRESSAVG: 592600 -43.1948 8.87131 61.6735 9.32713 0.920751 -5.39765 64.7291 -9.45079 -1.83467 TIMING: 592600 CPU: 1847.41, 0.00309269/step Wall: 1847.41, 0.00309269/step, 3.78631 hours remaining, 235.011719 MB of memory in use. ENERGY: 592600 3950.4203 20502.6410 14433.6983 248.3514 -203427.3651 2786.6432 0.0000 0.0000 52100.0156 -109405.5954 299.4195 -161505.6110 -109045.1515 298.8975 90.0436 119.9848 762712.0270 -14.6717 -14.7029 PRESSURE: 592800 31.2941 83.1827 90.614 83.1841 -166.667 -191.361 90.6135 -191.36 9.40437 GPRESSURE: 592800 -22.2935 32.9461 48.2235 140.626 -79.5837 -223.214 107.027 -134.198 71.4479 PRESSAVG: 592800 8.59433 -22.876 78.707 -22.876 29.0647 -44.6976 78.7071 -44.6976 16.6543 GPRESSAVG: 592800 8.12779 -21.6866 79.4724 -24.0336 28.466 -48.1412 78.1695 -41.8303 18.2383 TIMING: 592800 CPU: 1848.03, 0.00309648/step Wall: 1848.03, 0.00309648/step, 3.79078 hours remaining, 235.011719 MB of memory in use. ENERGY: 592800 3941.2396 20360.5527 14419.1504 225.8808 -203308.6730 2662.7623 0.0000 0.0000 52313.7577 -109385.3294 300.6479 -161699.0871 -109015.4628 298.5312 -41.9895 -10.1431 764160.1887 18.1044 18.2774 PRESSURE: 593000 31.0847 236.518 15.1806 236.517 -111.544 77.3505 15.18 77.3507 -168.892 GPRESSURE: 593000 95.5674 379.592 -21.2707 197.908 -72.8401 147.778 74.2064 26.1378 -199.843 PRESSAVG: 593000 -15.9491 59.024 31.7315 59.024 -18.7118 4.42724 31.7315 4.42731 4.47138 GPRESSAVG: 593000 -16.3979 59.2032 31.8137 59.7851 -18.2989 7.09851 33.029 1.43757 4.23366 TIMING: 593000 CPU: 1848.65, 0.00309708/step Wall: 1848.65, 0.00309708/step, 3.79134 hours remaining, 235.011719 MB of memory in use. ENERGY: 593000 4110.5361 20558.3755 14398.8913 259.6382 -203488.8101 3018.1544 0.0000 0.0000 51832.6435 -109310.5711 297.8829 -161143.2146 -108952.2297 298.7775 -83.1172 -59.0387 762606.0935 -10.0632 -10.1544 PRESSURE: 593200 -0.0137777 186.13 76.4754 186.129 -101.271 13.2574 76.476 13.2565 225.957 GPRESSURE: 593200 -6.8492 61.6572 164.545 100.287 -74.6103 38.8463 -42.1315 2.39609 279.176 PRESSAVG: 593200 41.953 42.0068 -11.2573 42.0068 -26.8017 3.90326 -11.2572 3.90324 5.56528 GPRESSAVG: 593200 43.1072 40.7634 -11.6428 42.6608 -27.3118 4.11281 -12.3129 4.1582 4.59458 TIMING: 593200 CPU: 1849.27, 0.00309462/step Wall: 1849.27, 0.00309462/step, 3.78816 hours remaining, 235.011719 MB of memory in use. ENERGY: 593200 3957.7284 20642.0989 14403.8430 243.6974 -203444.0927 2705.3111 0.0000 0.0000 51948.5323 -109542.8816 298.5489 -161491.4139 -109180.7697 298.5988 41.5575 65.9055 764616.1411 6.9055 6.7967 PRESSURE: 593400 199.13 113.174 -150.84 113.173 42.3212 -24.4324 -150.841 -24.4316 341.195 GPRESSURE: 593400 299.228 -25.1299 -47.6432 69.432 94.6649 24.1713 -247.314 -129.383 265.207 PRESSAVG: 593400 13.5091 23.4045 19.8384 23.4044 -9.0942 -14.1878 19.8384 -14.1878 -11.6494 GPRESSAVG: 593400 13.4276 24.5522 19.6863 22.8286 -9.28218 -14.0504 19.0045 -13.2994 -11.1334 TIMING: 593400 CPU: 1849.88, 0.00309637/step Wall: 1849.88, 0.00309637/step, 3.79013 hours remaining, 235.011719 MB of memory in use. ENERGY: 593400 3998.7415 20452.4921 14509.0605 251.7655 -203859.7018 3023.9833 0.0000 0.0000 52091.4449 -109532.2140 299.3702 -161623.6589 -109170.3716 298.2179 194.2154 219.6999 761758.2529 -2.4115 -2.3293 PRESSURE: 593600 -122.961 0.541618 -154.351 0.542178 -67.2947 -108.624 -154.352 -108.624 160.163 GPRESSURE: 593600 -97.204 127.751 -120.615 29.495 -71.4694 -100.726 30.5628 -13.2293 217.083 PRESSAVG: 593600 21.5243 76.4112 0.919138 76.4112 -15.9682 -5.65763 0.919168 -5.65765 3.95709 GPRESSAVG: 593600 21.1616 76.5836 1.18635 76.9763 -15.4097 -5.05741 1.07175 -5.89963 4.19692 TIMING: 593600 CPU: 1850.51, 0.00310081/step Wall: 1850.51, 0.00310081/step, 3.79539 hours remaining, 235.011719 MB of memory in use. ENERGY: 593600 3935.4666 20386.0329 14468.8958 248.3573 -203369.7747 2863.2778 0.0000 0.0000 51808.9738 -109658.7704 297.7469 -161467.7442 -109294.1945 298.2213 -10.0310 16.1365 763901.8435 3.1710 3.3163 PRESSURE: 593800 168.187 237.966 5.47852 237.966 272.453 178.885 5.47939 178.886 320.918 GPRESSURE: 593800 177.815 208.031 -50.4287 217.907 343.832 118.518 2.41364 228.154 327.804 PRESSAVG: 593800 -27.6611 76.3094 -47.1321 76.3094 4.16249 11.9857 -47.1321 11.9857 9.16969 GPRESSAVG: 593800 -28.2996 74.7979 -46.2614 75.5532 4.78828 11.8546 -45.6877 10.8354 9.06572 TIMING: 593800 CPU: 1851.13, 0.00310233/step Wall: 1851.13, 0.00310233/step, 3.79708 hours remaining, 235.011719 MB of memory in use. ENERGY: 593800 3975.6156 20550.4639 14363.0076 239.0631 -203582.5202 3062.7257 0.0000 0.0000 51664.7221 -109726.9222 296.9179 -161391.6443 -109381.5151 297.9316 253.8527 283.1503 763773.8547 -4.7763 -4.8152 PRESSURE: 594000 -25.3182 156.673 -149.511 156.672 10.9615 -250.235 -149.511 -250.237 -379.532 GPRESSURE: 594000 4.72215 2.7643 -98.5311 162.927 49.2237 -264.791 -55.8203 -228.657 -361.611 PRESSAVG: 594000 -13.5889 32.0964 -17.9035 32.0964 10.409 -20.548 -17.9035 -20.5481 4.134 GPRESSAVG: 594000 -13.3791 35.4701 -16.6921 31.8542 10.2309 -22.2537 -19.1972 -19.7254 3.90491 TIMING: 594000 CPU: 1851.75, 0.00311073/step Wall: 1851.75, 0.00311073/step, 3.80719 hours remaining, 235.011719 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: 594000 4076.7660 20426.6119 14415.8899 238.9413 -203427.7476 2953.4179 0.0000 0.0000 51759.0801 -109557.0405 297.4601 -161316.1206 -109209.4298 297.7902 -131.2964 -102.5549 764155.5606 0.3180 0.2522 PRESSURE: 594200 88.9622 -74.6869 -99.7236 -74.6869 61.2155 111.539 -99.7234 111.54 -29.6499 GPRESSURE: 594200 50.0494 -86.2664 -99.8661 -34.8611 140.808 141.473 13.5767 161.401 37.192 PRESSAVG: 594200 10.511 42.7767 32.7541 42.7767 -32.3727 -52.8204 32.7542 -52.8203 -25.887 GPRESSAVG: 594200 10.7006 41.3328 31.4559 44.3348 -32.5224 -51.8226 32.6717 -52.8278 -25.4216 TIMING: 594200 CPU: 1852.37, 0.00310586/step Wall: 1852.37, 0.00310586/step, 3.80106 hours remaining, 235.011719 MB of memory in use. ENERGY: 594200 4012.6681 20139.4021 14397.0601 234.3339 -203137.0003 2851.3575 0.0000 0.0000 52056.4919 -109445.6867 299.1694 -161502.1786 -109064.0438 297.9787 40.1759 76.0166 761893.1872 -15.9162 -15.7478 PRESSURE: 594400 110.164 -200.255 28.416 -200.255 -148.244 -206.839 28.4166 -206.84 -461.818 GPRESSURE: 594400 145.815 -207.87 -23.8228 -160.77 -92.7326 -224.923 9.30484 -166.755 -469.221 PRESSAVG: 594400 17.0639 37.5753 4.39884 37.5753 -14.5002 -1.49905 4.39886 -1.49904 -16.3023 GPRESSAVG: 594400 17.3896 38.1075 4.86216 36.2574 -13.9859 1.98555 5.70428 -1.83651 -17.0644 TIMING: 594400 CPU: 1852.99, 0.00309837/step Wall: 1852.99, 0.00309837/step, 3.79172 hours remaining, 235.011719 MB of memory in use. ENERGY: 594400 3959.9985 20492.2125 14436.1917 228.7340 -203020.9706 2727.4884 0.0000 0.0000 51959.8733 -109216.4722 298.6141 -161176.3455 -108849.6886 298.1298 -166.6325 -138.7129 763910.1017 -4.5795 -4.5536 PRESSURE: 594600 -524.246 -29.7546 -165.974 -29.7538 -235.548 -92.2746 -165.974 -92.274 -146.551 GPRESSURE: 594600 -471.877 22.9632 -149.668 -99.8763 -239.688 25.681 -203.985 -87.2423 -100.035 PRESSAVG: 594600 -2.80278 -11.3546 -24.6036 -11.3546 17.4993 19.1033 -24.6035 19.1034 -27.9031 GPRESSAVG: 594600 -3.37861 -13.8962 -24.9326 -14.1453 16.8869 17.3895 -24.2772 19.2518 -27.3892 TIMING: 594600 CPU: 1853.61, 0.00310105/step Wall: 1853.61, 0.00310105/step, 3.79482 hours remaining, 235.011719 MB of memory in use. ENERGY: 594600 4087.3798 20535.4641 14456.5740 257.3308 -202946.4716 2649.0854 0.0000 0.0000 51897.1748 -109063.4628 298.2538 -160960.6375 -108713.6218 299.0239 -302.1151 -270.5334 763829.1825 -4.4022 -4.6270 PRESSURE: 594800 -93.8559 13.8671 -62.7618 13.8664 -77.5104 5.60662 -62.7615 5.60678 -445.976 GPRESSURE: 594800 -30.7153 -75.3731 44.4188 -21.2374 -130.993 -1.65008 39.7888 114.01 -378.321 PRESSAVG: 594800 1.42401 61.1522 -51.5828 61.1522 -4.89599 14.6373 -51.5828 14.6373 2.21815 GPRESSAVG: 594800 1.13462 61.4228 -51.1863 66.3156 -5.14172 12.9476 -53.6682 14.5224 2.86249 TIMING: 594800 CPU: 1854.23, 0.00309833/step Wall: 1854.23, 0.00309833/step, 3.79133 hours remaining, 235.011719 MB of memory in use. ENERGY: 594800 3983.5684 20595.6991 14454.0331 240.4859 -203163.6750 2648.7126 0.0000 0.0000 52209.1371 -109032.0389 300.0466 -161241.1759 -108671.7214 299.3991 -205.7808 -180.0097 763591.0151 -0.4179 -0.3815 PRESSURE: 595000 -54.2639 0.12011 0.437197 0.12016 38.2252 -79.5679 0.437024 -79.5677 194.109 GPRESSURE: 595000 28.17 -94.7535 -151.636 62.8642 100.38 3.69027 107.828 -116.386 160.998 PRESSAVG: 595000 37.3899 32.4179 18.1396 32.418 -13.2428 -4.16587 18.1396 -4.16584 16.9083 GPRESSAVG: 595000 38.3769 35.1092 17.4458 29.8309 -13.217 -2.67282 20.063 -1.94798 16.607 TIMING: 595000 CPU: 1854.85, 0.00308322/step Wall: 1854.85, 0.00308322/step, 3.77267 hours remaining, 235.011719 MB of memory in use. ENERGY: 595000 4013.8576 20378.9835 14475.1007 259.1527 -202852.3672 2754.1406 0.0000 0.0000 52031.1980 -108939.9341 299.0240 -160971.1321 -108573.3855 299.7399 59.3568 96.5159 764109.3314 13.6851 13.9223 PRESSURE: 595200 -323.502 35.5908 -15.6259 35.5915 -44.234 86.7123 -15.6271 86.7117 -460.668 GPRESSURE: 595200 -241.604 -106.138 -29.7394 88.397 -55.9764 94.2602 -5.30985 67.9138 -452.888 PRESSAVG: 595200 36.4617 24.8051 81.1308 24.805 -7.91942 -45.7178 81.1308 -45.7177 15.7503 GPRESSAVG: 595200 36.6222 23.8386 82.0109 26.5528 -6.0293 -45.3079 80.3139 -46.7043 13.6273 TIMING: 595200 CPU: 1855.47, 0.00310636/step Wall: 1855.47, 0.00310636/step, 3.8008 hours remaining, 235.011719 MB of memory in use. ENERGY: 595200 4061.8467 20636.6995 14421.3947 257.7284 -203021.1613 2648.9419 0.0000 0.0000 52249.2784 -108745.2716 300.2773 -160994.5500 -108391.4751 299.7697 -276.1348 -250.1561 764246.8081 14.7642 14.7401 PRESSURE: 595400 180.227 125.578 325.141 125.578 130.409 48.166 325.141 48.1666 -173.293 GPRESSURE: 595400 197.746 213.414 209.383 49.2714 190.26 108.189 283.763 97.5781 -180.094 PRESSAVG: 595400 -10.2766 29.3784 5.39263 29.3784 2.39572 29.81 5.39267 29.81 13.7817 GPRESSAVG: 595400 -10.1485 29.55 3.29726 29.3867 0.823949 29.1472 5.49211 31.2596 15.4453 TIMING: 595400 CPU: 1856.09, 0.00309848/step Wall: 1856.09, 0.00309848/step, 3.79099 hours remaining, 235.011719 MB of memory in use. ENERGY: 595400 4094.0892 20596.6674 14507.4275 232.5127 -202989.7016 2803.7079 0.0000 0.0000 52220.8045 -108534.4924 300.1137 -160755.2969 -108165.3165 300.9470 45.7810 69.3039 762720.3626 1.9669 2.0403 PRESSURE: 595600 151.782 -141.473 -83.5237 -141.473 -311.057 -229.076 -83.5245 -229.075 126.001 GPRESSURE: 595600 155.507 -190.398 -90.9445 -146.647 -265.103 -218.311 -43.7312 -210.72 160.927 PRESSAVG: 595600 51.9161 -36.8244 -37.584 -36.8244 -2.21434 55.7241 -37.584 55.724 1.65531 GPRESSAVG: 595600 50.9619 -37.9871 -36.1218 -37.807 -0.645825 53.887 -37.5819 54.1486 1.34001 TIMING: 595600 CPU: 1856.7, 0.00309119/step Wall: 1856.7, 0.00309119/step, 3.7819 hours remaining, 235.011719 MB of memory in use. ENERGY: 595600 3977.2311 20583.2688 14470.9724 240.1994 -203180.4581 2950.2146 0.0000 0.0000 52230.1432 -108728.4286 300.1674 -160958.5718 -108371.9967 300.1004 -11.0913 17.1107 762661.5040 17.1190 17.2187 PRESSURE: 595800 65.7417 -190.493 111.189 -190.493 211.985 44.3737 111.189 44.3732 279.292 GPRESSURE: 595800 80.019 -263.5 129.653 -104.251 263.404 32.2341 -81.8036 77.7437 287.111 PRESSAVG: 595800 20.6618 -42.9831 2.04027 -42.9831 -47.7692 12.7344 2.04033 12.7344 19.9855 GPRESSAVG: 595800 21.6848 -42.9084 1.94762 -41.1237 -48.9995 13.7635 2.43749 13.7181 19.8242 TIMING: 595800 CPU: 1857.32, 0.00309293/step Wall: 1857.32, 0.00309293/step, 3.78386 hours remaining, 235.011719 MB of memory in use. ENERGY: 595800 4021.2826 20748.4307 14438.6353 235.7741 -203192.4696 2841.5108 0.0000 0.0000 52316.8197 -108590.0164 300.6655 -160906.8361 -108220.8816 300.1779 185.6728 210.1779 762965.0282 -2.3740 -2.4968 PRESSURE: 596000 -69.3659 14.9199 -25.3775 14.9193 -425.018 -210.404 -25.3766 -210.405 -133.842 GPRESSURE: 596000 -34.077 -30.4499 -17.0319 47.651 -341.894 -238.602 152.344 -267.346 -153.129 PRESSAVG: 596000 33.1322 55.6061 -4.31632 55.6061 -26.4325 -13.1726 -4.31634 -13.1726 0.993907 GPRESSAVG: 596000 32.7092 54.8516 -4.21636 54.1454 -25.0248 -12.5757 -4.94292 -15.3901 0.364706 TIMING: 596000 CPU: 1857.94, 0.00310377/step Wall: 1857.94, 0.00310377/step, 3.79695 hours remaining, 235.011719 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: 596000 4022.7713 20639.0186 14448.0749 249.3196 -203201.0613 2752.6389 0.0000 0.0000 52330.3504 -108758.8876 300.7432 -161089.2380 -108392.5899 300.5408 -209.4088 -176.3668 764436.5867 2.5645 2.6831 PRESSURE: 596200 75.4023 -51.3924 189.12 -51.3926 7.78624 -122.761 189.119 -122.762 -447.118 GPRESSURE: 596200 177.384 -55.6343 127.448 -17.7817 -53.8639 -100.34 211.295 -201.032 -401.2 PRESSAVG: 596200 1.32788 21.4397 54.696 21.4397 -22.3924 5.36434 54.696 5.36429 -4.64483 GPRESSAVG: 596200 2.5022 22.2235 55.3171 19.9213 -23.1143 5.23274 53.6743 6.40953 -4.21401 TIMING: 596200 CPU: 1858.56, 0.00310308/step Wall: 1858.56, 0.00310308/step, 3.79593 hours remaining, 235.011719 MB of memory in use. ENERGY: 596200 4082.5251 20559.0991 14446.3308 247.8339 -203321.6287 3117.9422 0.0000 0.0000 52095.6313 -108772.2663 299.3943 -160867.8976 -108409.9659 299.7603 -121.3097 -92.5601 764354.9618 -8.5698 -8.2754 LDB: ============= START OF LOAD BALANCING ============== 1871.04 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1871.04 LDB: =============== DONE WITH MIGRATION ================ 1871.04 LDB: ============= START OF LOAD BALANCING ============== 1871.35 LDB: Largest compute 6985 load 0.030997 is 15.9% of average load 0.194905 LDB: Average compute 0.004371 is 2.2% of average load 0.194905 LDB: TIME 1871.36 LOAD: AVG 0.194905 MAX 0.21683 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.562 MB LDB: TIME 1871.36 LOAD: AVG 0.194905 MAX 0.21683 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.562 MB LDB: TIME 1871.36 LOAD: AVG 0.194905 MAX 0.21683 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.562 MB LDB: ============== END OF LOAD BALANCING =============== 1871.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1871.36 PRESSURE: 596400 -293.037 -1.23146 277.321 -1.23069 -156.802 -259.346 277.321 -259.346 251.853 GPRESSURE: 596400 -267.446 5.009 265.214 42.3819 -23.7792 -302.783 309.264 -138.916 188.102 PRESSAVG: 596400 0.247758 -17.6847 77.2218 -17.6846 -33.4236 33.3465 77.2219 33.3465 18.9647 GPRESSAVG: 596400 -0.0345934 -16.1881 75.9372 -16.8819 -32.9761 33.2367 79.4671 33.9042 18.7755 TIMING: 596400 CPU: 1859.2, 0.00317418/step Wall: 1859.2, 0.00317418/step, 3.88273 hours remaining, 235.644531 MB of memory in use. ENERGY: 596400 3994.3119 20572.7250 14507.3560 253.0546 -202865.5417 2835.5223 0.0000 0.0000 51973.7560 -108728.8160 298.6939 -160702.5720 -108363.7045 299.2343 -65.9954 -34.3743 765351.9986 -4.7371 -4.7450 PRESSURE: 596600 34.4784 -210.608 284.429 -210.608 -202.324 41.8873 284.429 41.8861 -36.5721 GPRESSURE: 596600 47.8684 -140.157 292.849 -155.289 -160.069 120.594 185.213 121.932 -2.15476 PRESSAVG: 596600 1.11074 8.654 37.9166 8.65397 24.9273 -4.00037 37.9166 -4.0004 -27.7914 GPRESSAVG: 596600 0.720293 8.06022 39.5437 8.96162 24.3645 -3.48455 37.4054 -5.10951 -26.3344 TIMING: 596600 CPU: 1859.82, 0.00310137/step Wall: 1859.82, 0.00310137/step, 3.79349 hours remaining, 235.847656 MB of memory in use. ENERGY: 596600 4006.3597 20480.7125 14492.1822 236.4650 -203131.2799 3018.5581 0.0000 0.0000 52090.3828 -108806.6196 299.3641 -160897.0024 -108443.2603 299.4692 -68.1391 -38.1185 764540.7184 -0.5844 -0.4165 PRESSURE: 596800 219.413 196.225 -125.988 196.224 196.644 -102.459 -125.988 -102.459 -311.935 GPRESSURE: 596800 332.214 128.288 -73.4434 140.157 220.256 -112.86 -82.7901 -212.351 -344.974 PRESSAVG: 596800 15.8922 -30.4326 -44.7531 -30.4327 0.445766 -35.317 -44.7531 -35.3171 -13.3239 GPRESSAVG: 596800 16.5468 -29.6958 -45.6894 -30.3951 0.717931 -35.9564 -46.382 -34.0874 -13.6414 TIMING: 596800 CPU: 1860.44, 0.00311079/step Wall: 1860.44, 0.00311079/step, 3.80484 hours remaining, 235.847656 MB of memory in use. ENERGY: 596800 4018.9231 20227.9974 14417.9277 237.8404 -203012.2187 2978.9540 0.0000 0.0000 52261.7588 -108868.8173 300.3490 -161130.5761 -108508.7464 299.2465 34.7073 69.1653 764903.8238 1.0047 1.2078 PRESSURE: 597000 28.3358 53.0699 18.3142 53.0697 309.963 -114.65 18.3141 -114.649 18.8957 GPRESSURE: 597000 75.4248 77.5664 16.6636 57.2685 301.692 -31.2597 90.3337 -103.555 60.999 PRESSAVG: 597000 -8.09904 -18.887 16.1768 -18.8871 -0.0804404 -13.7056 16.1768 -13.7055 -19.9338 GPRESSAVG: 597000 -7.83524 -19.731 15.5283 -20.4629 -0.126127 -13.4859 19.3885 -13.5443 -20.503 TIMING: 597000 CPU: 1861.06, 0.00310885/step Wall: 1861.06, 0.00310885/step, 3.8023 hours remaining, 235.847656 MB of memory in use. ENERGY: 597000 4010.2330 20348.3683 14476.3406 231.8429 -203461.7936 3095.6570 0.0000 0.0000 52462.7800 -108836.5719 301.5043 -161299.3518 -108471.2810 299.6351 119.0648 146.0388 765835.6883 -9.3711 -9.4881 PRESSURE: 597200 207.857 -95.4849 -198.137 -95.4846 -70.0784 -244.409 -198.137 -244.41 410.3 GPRESSURE: 597200 255.697 -3.86335 -245.22 -46.0559 -21.3078 -230.198 -162.33 -101.085 407.008 PRESSAVG: 597200 -48.9467 -55.1446 -6.52443 -55.1446 14.1143 -9.31587 -6.52436 -9.3158 12.8226 GPRESSAVG: 597200 -50.6365 -54.3601 -5.41634 -53.3287 14.5692 -10.456 -9.2981 -8.76971 13.6385 TIMING: 597200 CPU: 1861.68, 0.00310116/step Wall: 1861.68, 0.00310116/step, 3.79272 hours remaining, 235.847656 MB of memory in use. ENERGY: 597200 3936.9061 20484.3150 14507.7445 249.7676 -203092.8602 3082.2483 0.0000 0.0000 52031.8474 -108800.0313 299.0277 -160831.8787 -108442.3956 299.4437 182.6931 213.7993 766076.9670 -7.3366 -7.4763 PRESSURE: 597400 -289.348 -12.7671 -114.163 -12.7679 -460.555 195.386 -114.163 195.387 -108.34 GPRESSURE: 597400 -276.852 -110.087 -81.9819 -14.2868 -404.442 142.339 -25.0125 134.17 -90.4739 PRESSAVG: 597400 -19.5452 5.79439 59.1811 5.79431 -37.6085 9.54188 59.1812 9.54181 2.91769 GPRESSAVG: 597400 -18.1465 4.4641 59.2707 6.44712 -37.6264 10.9035 60.3579 10.0569 1.53637 TIMING: 597400 CPU: 1862.31, 0.00311366/step Wall: 1862.31, 0.00311366/step, 3.80784 hours remaining, 235.847656 MB of memory in use. ENERGY: 597400 3954.3643 20547.0575 14461.4575 255.3992 -202956.5815 2802.8905 0.0000 0.0000 51966.1675 -108969.2448 298.6503 -160935.4123 -108617.5832 298.9693 -286.0810 -257.2561 766953.5463 -18.0787 -18.0789 PRESSURE: 597600 -86.8382 -182.13 263.504 -182.13 3.28685 -169.975 263.505 -169.975 196.862 GPRESSURE: 597600 -92.8225 -105.582 209.294 -108.968 94.9598 -161.094 202.899 -39.2228 201.437 PRESSAVG: 597600 39.6877 52.434 3.31161 52.4339 -38.263 -20.3316 3.31155 -20.3316 5.84738 GPRESSAVG: 597600 40.9198 51.6439 1.16047 52.0177 -38.8882 -19.756 3.77302 -23.0395 5.06389 TIMING: 597600 CPU: 1862.92, 0.00309026/step Wall: 1862.92, 0.00309026/step, 3.77904 hours remaining, 235.847656 MB of memory in use. ENERGY: 597600 4019.0086 20422.5913 14528.6425 271.7763 -203191.5631 2867.0088 0.0000 0.0000 52001.5710 -109080.9647 298.8537 -161082.5357 -108711.4840 298.6029 37.7701 67.8580 765169.8361 2.4240 2.3652 PRESSURE: 597800 -145.927 -184.584 68.1881 -184.585 85.9979 -93.9057 68.1886 -93.9063 -386.62 GPRESSURE: 597800 -80.728 -191.463 48.1894 -156.28 45.1943 9.56868 89.0485 -112.92 -323.689 PRESSAVG: 597800 5.22552 0.410859 -3.0892 0.410932 -11.6836 -40.5816 -3.0892 -40.5816 14.6332 GPRESSAVG: 597800 3.58299 2.36257 -2.71922 0.893671 -10.9688 -42.4905 -2.60811 -39.8563 15.5767 TIMING: 597800 CPU: 1863.54, 0.00309638/step Wall: 1863.54, 0.00309638/step, 3.78636 hours remaining, 235.847656 MB of memory in use. ENERGY: 597800 3906.7134 20354.1402 14513.9677 248.0446 -203061.6462 2827.9062 0.0000 0.0000 52175.2803 -109035.5937 299.8521 -161210.8741 -108669.5667 298.6092 -148.8496 -119.7410 765656.6129 2.7250 2.7303 PRESSURE: 598000 96.0786 -168.377 -28.7776 -168.377 -163.095 -146.101 -28.7771 -146.102 -127.554 GPRESSURE: 598000 121.634 -155.891 -118.402 -55.7774 -119 -221.896 -28.1252 -77.6572 -93.6147 PRESSAVG: 598000 12.8653 -30.4501 45.0814 -30.4501 -11.9525 -26.3215 45.0814 -26.3215 -4.08811 GPRESSAVG: 598000 13.7811 -29.9037 46.1618 -32.336 -12.1832 -25.7391 45.0536 -26.003 -5.15775 TIMING: 598000 CPU: 1864.16, 0.00309151/step Wall: 1864.16, 0.00309151/step, 3.78023 hours remaining, 235.847656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 598000 4040.5854 20304.4238 14454.7956 254.3769 -202577.6114 2593.8346 0.0000 0.0000 51882.4564 -109047.1387 298.1692 -160929.5951 -108682.5736 299.0203 -64.8571 -30.3271 764038.7777 -1.0584 -1.1866 PRESSURE: 598200 351.663 127.092 290.047 127.092 11.6541 -250.227 290.047 -250.227 220.53 GPRESSURE: 598200 282.823 167.467 279.305 101.75 101.531 -134.94 269.117 -294.576 293.101 PRESSAVG: 598200 -49.0457 -60.5632 36.7684 -60.5632 48.0949 -61.1774 36.7684 -61.1774 13.908 GPRESSAVG: 598200 -49.0701 -61.1271 36.8672 -59.0164 47.0313 -60.0509 37.4371 -61.4656 14.7837 TIMING: 598200 CPU: 1864.78, 0.00311184/step Wall: 1864.78, 0.00311184/step, 3.80491 hours remaining, 235.847656 MB of memory in use. ENERGY: 598200 4018.4305 20444.6518 14428.7612 238.8169 -203016.9065 2770.4664 0.0000 0.0000 51904.1460 -109211.6336 298.2938 -161115.7796 -108851.2794 298.0017 194.6159 225.8182 765474.8626 4.3191 4.2483 PRESSURE: 598400 71.5801 -12.3944 -118.553 -12.3939 -81.831 -53.4371 -118.552 -53.4365 16.5778 GPRESSURE: 598400 -2.62266 -52.0231 -210.098 45.6027 18.2187 -21.1465 -53.8663 -199.542 83.6781 PRESSAVG: 598400 12.8859 -28.0431 41.4723 -28.0431 -35.6232 -74.2309 41.4723 -74.2309 16.7866 GPRESSAVG: 598400 12.0606 -27.3849 41.36 -27.731 -34.1744 -75.8363 43.0874 -72.217 16.1213 TIMING: 598400 CPU: 1865.4, 0.00309561/step Wall: 1865.4, 0.00309561/step, 3.7849 hours remaining, 235.847656 MB of memory in use. ENERGY: 598400 3916.9486 20449.7799 14397.8375 231.5940 -203268.7743 2887.1491 0.0000 0.0000 52065.2376 -109320.2274 299.2196 -161385.4651 -108951.7837 298.4417 2.1090 33.0914 763850.8783 -1.9836 -1.9975 PRESSURE: 598600 -163.574 30.4906 1.43095 30.4908 -79.5085 -45.4976 1.43042 -45.4985 522.214 GPRESSURE: 598600 -89.1736 16.0397 -18.6596 -67.1705 -68.0738 -31.6854 45.7734 -39.184 487.554 PRESSAVG: 598600 34.4715 18.3001 7.71016 18.3002 -10.5294 -29.6551 7.71017 -29.6551 -12.375 GPRESSAVG: 598600 35.7758 19.111 7.97684 16.5936 -11.9086 -28.9298 5.00484 -32.1563 -12.9755 TIMING: 598600 CPU: 1866.02, 0.00310312/step Wall: 1866.02, 0.00310312/step, 3.79391 hours remaining, 235.847656 MB of memory in use. ENERGY: 598600 3980.8316 20446.2877 14417.2223 229.4220 -203069.2422 2686.3153 0.0000 0.0000 51717.4885 -109591.6748 297.2211 -161309.1633 -109233.7083 297.8745 93.0439 110.1024 764659.6922 3.8557 3.6306 PRESSURE: 598800 -435.107 -12.062 -73.7835 -12.062 259.669 -72.7525 -73.7847 -72.7518 -18.8951 GPRESSURE: 598800 -372.846 45.9208 -4.73913 -13.0024 241.202 -65.4824 -32.1412 -7.08481 34.2197 PRESSAVG: 598800 -14.5823 -25.5344 20.5672 -25.5345 29.1638 7.882 20.5672 7.88206 -20.8655 GPRESSAVG: 598800 -15.0866 -27.3029 21.7691 -24.7398 29.3182 6.90092 20.272 7.82608 -19.6603 TIMING: 598800 CPU: 1866.64, 0.00309637/step Wall: 1866.64, 0.00309637/step, 3.78549 hours remaining, 235.847656 MB of memory in use. ENERGY: 598800 3981.8504 20563.7798 14428.3853 243.8382 -202977.5412 2737.1672 0.0000 0.0000 51826.6519 -109195.8684 297.8485 -161022.5203 -108849.3906 298.3274 -64.7777 -32.4746 765410.6672 -2.0947 -1.8096 PRESSURE: 599000 -445.691 197.182 69.8318 197.182 -256.707 201.943 69.8323 201.944 -98.5661 GPRESSURE: 599000 -415.852 128.018 62.6702 119.589 -189.98 254.615 9.37793 271.938 -106.151 PRESSAVG: 599000 -13.3215 10.6801 18.417 10.6801 19.6063 13.6923 18.417 13.6923 -4.23976 GPRESSAVG: 599000 -14.1746 10.651 17.9648 12.804 20.7121 16.3264 20.4611 16.1505 -4.06645 TIMING: 599000 CPU: 1867.26, 0.0030917/step Wall: 1867.26, 0.0030917/step, 3.7796 hours remaining, 235.847656 MB of memory in use. ENERGY: 599000 4033.7699 20544.2173 14508.8274 240.3973 -203169.3318 2622.5362 0.0000 0.0000 51741.9026 -109477.6811 297.3614 -161219.5837 -109112.7273 298.0190 -266.9882 -237.3276 764587.4609 0.6817 0.8237 PRESSURE: 599200 250.777 161.723 -295.051 161.723 12.8 44.4611 -295.05 44.4605 415.418 GPRESSURE: 599200 321.721 175.13 -219.697 153.533 -23.011 -31.7588 -341.11 -23.3908 454.161 PRESSAVG: 599200 44.8489 12.4251 -65.7011 12.425 13.014 24.0756 -65.7011 24.0756 -20.3256 GPRESSAVG: 599200 46.2373 11.4272 -66.6733 12.5764 11.0181 23.3944 -65.4731 23.4245 -19.9442 TIMING: 599200 CPU: 1867.88, 0.00310812/step Wall: 1867.88, 0.00310812/step, 3.7995 hours remaining, 235.847656 MB of memory in use. ENERGY: 599200 3939.6683 20385.4992 14511.1638 246.6949 -203617.1116 2998.6971 0.0000 0.0000 52101.4189 -109433.9693 299.4276 -161535.3883 -109081.4242 298.2957 226.3316 250.9569 762233.7473 12.5125 12.4371 PRESSURE: 599400 -98.966 -35.5923 3.54918 -35.5924 430.493 31.6021 3.54868 31.6024 151.446 GPRESSURE: 599400 -71.0112 -1.42858 3.53212 3.46981 547.75 -90.2972 -34.4503 -88.8332 84.0885 PRESSAVG: 599400 -36.464 15.8174 9.96971 15.8174 55.8249 20.0806 9.96972 20.0806 -23.648 GPRESSAVG: 599400 -37.2385 15.7407 11.3698 14.8333 56.4846 17.5778 7.84996 18.5827 -23.3451 TIMING: 599400 CPU: 1868.5, 0.00310685/step Wall: 1868.5, 0.00310685/step, 3.79778 hours remaining, 235.847656 MB of memory in use. ENERGY: 599400 3976.1377 20663.8326 14478.9715 255.7127 -203750.4312 3138.4283 0.0000 0.0000 51890.7277 -109346.6207 298.2167 -161237.3484 -108999.9756 298.3166 160.9909 186.9425 760813.4489 -1.4290 -1.3663 PRESSURE: 599600 59.7483 106.879 -97.4655 106.88 -29.2914 -130.841 -97.4649 -130.841 -10.2306 GPRESSURE: 599600 81.243 99.1064 -178.376 142.396 22.2445 -103.271 -57.2889 -46.2429 -4.02385 PRESSAVG: 599600 8.74237 -12.9653 4.55493 -12.9653 -17.0851 -28.939 4.55497 -28.939 -29.7927 GPRESSAVG: 599600 8.90604 -11.6787 1.91674 -12.8446 -17.4413 -27.1089 7.28435 -27.5763 -29.7341 TIMING: 599600 CPU: 1869.12, 0.0031/step Wall: 1869.12, 0.0031/step, 3.78923 hours remaining, 235.847656 MB of memory in use. ENERGY: 599600 4068.1317 20526.7541 14493.2400 253.1337 -203552.8060 2870.3680 0.0000 0.0000 52057.9961 -109283.1824 299.1780 -161341.1785 -108923.6550 298.4640 6.7421 33.1546 762895.7392 -12.7118 -12.7564 PRESSURE: 599800 7.31685 212.622 -184.604 212.621 -32.2551 103.103 -184.604 103.104 -423.321 GPRESSURE: 599800 2.56449 166.29 -147.169 156.984 -13.7523 -67.8987 -58.1525 51.3125 -364.312 PRESSAVG: 599800 20.599 69.1944 41.5317 69.1945 -19.2194 30.8869 41.5318 30.887 1.6768 GPRESSAVG: 599800 20.323 68.9785 42.8393 69.5555 -17.8307 30.2351 39.9672 28.9795 0.735461 TIMING: 599800 CPU: 1869.75, 0.00310643/step Wall: 1869.75, 0.00310643/step, 3.79692 hours remaining, 235.847656 MB of memory in use. ENERGY: 599800 4047.0811 20502.7664 14464.8376 253.8545 -203582.1762 2934.4121 0.0000 0.0000 52028.0731 -109351.1515 299.0061 -161379.2246 -108988.1910 299.2751 -149.4198 -125.1667 763786.7322 1.0188 1.0759 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 600000 WRITING COORDINATES TO RESTART FILE AT STEP 600000 FINISHED WRITING RESTART COORDINATES The last position output (seq=600000) takes 0.012 seconds, 235.848 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 600000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 600000 34.9286 90.7793 70.9468 90.7793 -98.0275 -50.3063 70.9461 -50.3063 -91.2466 GPRESSURE: 600000 112.256 77.9076 121.351 40.4413 -9.86975 -104.901 82.3075 -11.0001 -149.238 PRESSAVG: 600000 59.2127 -21.1395 44.8451 -21.1395 -53.2699 48.3775 44.8451 48.3774 7.29798 GPRESSAVG: 600000 58.6522 -20.855 45.2172 -22.8369 -53.161 48.0879 44.4363 50.3121 7.93021 TIMING: 600000 CPU: 1870.39, 0.00319594/step Wall: 1870.39, 0.00319594/step, 3.90615 hours remaining, 235.847656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 600000 3919.9069 20655.8000 14447.6890 251.8469 -203311.0555 2796.5901 0.0000 0.0000 51745.5769 -109493.6458 297.3825 -161239.2227 -109143.3774 298.2330 -51.4485 -15.6172 763966.5127 4.4136 4.4738 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 600000 PRESSURE: 600200 -22.1874 -131.583 177.815 -131.583 -232.368 164.974 177.815 164.974 -214.526 GPRESSURE: 600200 -12.9886 -111.767 66.5738 -227.279 -144.515 145.708 228.255 130.163 -228.748 PRESSAVG: 600200 -11.905 3.12957 49.3855 3.12962 62.9465 13.1366 49.3854 13.1365 -1.60278 GPRESSAVG: 600200 -11.2568 0.686791 48.883 3.50788 61.7193 12.2575 49.1047 10.9228 -1.63718 TIMING: 600200 CPU: 1871.01, 0.0031176/step Wall: 1871.01, 0.0031176/step, 3.81023 hours remaining, 235.847656 MB of memory in use. ENERGY: 600200 4030.2251 20479.6703 14417.3864 228.8946 -203471.4422 2994.9918 0.0000 0.0000 51962.5271 -109357.7468 298.6294 -161320.2739 -108984.9343 298.3760 -156.3605 -128.7506 764344.0289 16.4796 16.2751 LDB: ============= START OF LOAD BALANCING ============== 1883.48 LDB: ============== END OF LOAD BALANCING =============== 1883.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1883.49 LDB: ============= START OF LOAD BALANCING ============== 1883.8 LDB: Largest compute 7052 load 0.030528 is 15.7% of average load 0.194955 LDB: Average compute 0.004377 is 2.2% of average load 0.194955 LDB: TIME 1883.8 LOAD: AVG 0.194955 MAX 0.217315 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.621 MB LDB: TIME 1883.8 LOAD: AVG 0.194955 MAX 0.217315 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.688 MB LDB: TIME 1883.8 LOAD: AVG 0.194955 MAX 0.217315 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.688 MB LDB: ============== END OF LOAD BALANCING =============== 1883.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1883.81 PRESSURE: 600400 -32.3899 -97.1292 63.6881 -97.1295 -198.141 -75.1466 63.6872 -75.1468 -159.1 GPRESSURE: 600400 25.0293 22.9788 90.5305 -120.994 -208.535 -46.9097 -21.3176 -36.661 -144.957 PRESSAVG: 600400 -22.038 -21.957 16.1821 -21.957 3.56246 -11.8612 16.182 -11.8613 13.8076 GPRESSAVG: 600400 -21.2314 -19.513 16.0493 -22.5067 2.73558 -12.6241 17.6566 -9.56689 13.3751 TIMING: 600400 CPU: 1871.64, 0.00316131/step Wall: 1871.64, 0.00316131/step, 3.86348 hours remaining, 234.933594 MB of memory in use. ENERGY: 600400 4022.0490 20494.0749 14503.3127 266.5375 -203650.4067 3176.5127 0.0000 0.0000 51882.7049 -109305.2151 298.1706 -161187.9200 -108948.2900 298.6140 -129.8767 -109.4876 764586.6518 -1.5560 -1.7069 PRESSURE: 600600 -251.244 70.2947 -111.609 70.2951 99.3695 -0.116785 -111.608 -0.116558 167.315 GPRESSURE: 600600 -210.763 47.6981 -91.1794 134.295 57.4737 -87.0239 -155.628 -55.9517 239.901 PRESSAVG: 600600 -18.33 17.0689 -22.6334 17.0689 36.8951 -20.93 -22.6334 -20.9299 -15.0234 GPRESSAVG: 600600 -19.1191 16.8731 -20.7205 17.1262 37.4064 -18.989 -25.8694 -22.2757 -14.3837 TIMING: 600600 CPU: 1872.26, 0.00311744/step Wall: 1872.26, 0.00311744/step, 3.80969 hours remaining, 235.136719 MB of memory in use. ENERGY: 600600 3939.4105 20473.3360 14445.5413 252.8449 -203244.1068 2774.3281 0.0000 0.0000 52003.0998 -109355.5461 298.8625 -161358.6459 -108992.4492 298.3833 5.1468 28.8705 763604.7286 1.1806 1.3012 PRESSURE: 600800 157.069 -38.5999 -208.172 -38.6 -323.465 0.753465 -208.171 0.753109 -92.9563 GPRESSURE: 600800 219.432 -41.4512 -113.203 -21.7066 -293.598 -0.679164 -172.762 3.06654 -96.3755 PRESSAVG: 600800 -9.2912 -0.804492 39.6504 -0.804498 6.77796 -37.2479 39.6505 -37.248 22.1893 GPRESSAVG: 600800 -8.80097 -0.0607214 38.4606 -0.00452456 7.076 -38.417 43.8826 -36.9606 21.4871 TIMING: 600800 CPU: 1872.88, 0.00310015/step Wall: 1872.88, 0.00310015/step, 3.78838 hours remaining, 235.136719 MB of memory in use. ENERGY: 600800 3926.0402 20612.5591 14439.6916 250.6155 -203326.5739 2836.5803 0.0000 0.0000 51770.4201 -109490.6671 297.5253 -161261.0872 -109136.5681 298.2309 -86.4505 -56.8474 763985.0395 6.5587 6.5874 PRESSURE: 601000 -63.0351 85.4815 -82.9795 85.4805 172.904 56.2362 -82.9798 56.2374 118.749 GPRESSURE: 601000 -66.4968 -12.9648 -42.93 4.10079 212.629 6.99809 -59.4463 30.9493 176.629 PRESSAVG: 601000 -14.8108 -33.8864 -12.0198 -33.8863 -46.8429 3.84325 -12.0198 3.84323 -10.1416 GPRESSAVG: 601000 -13.4981 -34.4982 -12.2836 -33.2062 -47.7357 3.78547 -12.6648 1.52583 -10.4283 TIMING: 601000 CPU: 1873.5, 0.00308481/step Wall: 1873.5, 0.00308481/step, 3.76947 hours remaining, 235.136719 MB of memory in use. ENERGY: 601000 3955.7883 20527.7021 14489.6840 246.6773 -203341.5336 2815.2327 0.0000 0.0000 51944.1855 -109362.2636 298.5239 -161306.4491 -108989.7533 298.5188 76.2058 107.5869 764558.2088 -23.9318 -23.8874 PRESSURE: 601200 -157.19 -14.4116 56.3169 -14.4119 -156.303 -90.8004 56.317 -90.8 106.041 GPRESSURE: 601200 -75.4991 23.7777 40.9996 -8.13958 -48.3092 -46.7006 48.0014 -114.895 3.11845 PRESSAVG: 601200 0.765736 -2.04624 21.1281 -2.04629 7.59186 -47.2039 21.1281 -47.2038 0.33847 GPRESSAVG: 601200 -1.3884 -1.64934 21.1169 -3.35313 9.52201 -45.9973 20.1004 -45.8356 0.578679 TIMING: 601200 CPU: 1874.12, 0.00309478/step Wall: 1874.12, 0.00309478/step, 3.78148 hours remaining, 235.136719 MB of memory in use. ENERGY: 601200 4066.9454 20362.1820 14404.0157 243.6426 -203256.1344 2956.5645 0.0000 0.0000 51944.5758 -109278.2085 298.5262 -161222.7844 -108920.2839 299.2068 -69.1507 -40.2299 764644.1670 2.8987 2.9041 PRESSURE: 601400 213.698 -143.663 -0.778309 -143.662 56.1346 10.4864 -0.77897 10.4853 -230.485 GPRESSURE: 601400 153.063 -14.67 -99.1182 -91.6101 105.196 -17.9434 148.4 -105.529 -117.046 PRESSAVG: 601400 -67.147 -34.997 29.6863 -34.9971 39.8649 -9.11335 29.6862 -9.11333 25.8443 GPRESSAVG: 601400 -66.8234 -35.4684 29.2061 -34.5572 39.2385 -9.28237 30.9244 -7.88477 26.1885 TIMING: 601400 CPU: 1874.74, 0.003099/step Wall: 1874.74, 0.003099/step, 3.78646 hours remaining, 235.136719 MB of memory in use. ENERGY: 601400 4025.3005 20362.8516 14442.1611 258.5953 -203146.4256 3016.1515 0.0000 0.0000 51576.6962 -109464.6694 296.4120 -161041.3655 -109103.9761 298.4945 13.1159 47.0709 765815.9301 -0.4793 -0.4654 PRESSURE: 601600 -198.877 -1.95925 104.48 -1.95915 -22.8914 -83.7787 104.48 -83.7784 -148.055 GPRESSURE: 601600 -130.496 43.3328 138.833 54.212 -29.9385 -75.2934 203.091 -96.2956 -102.958 PRESSAVG: 601600 -14.9863 -7.09016 -21.0381 -7.09016 64.4606 -0.740172 -21.0381 -0.740173 8.56124 GPRESSAVG: 601600 -14.8823 -5.84784 -19.3584 -8.34553 64.139 -2.03708 -21.7511 0.503918 8.48355 TIMING: 601600 CPU: 1875.36, 0.00309601/step Wall: 1875.36, 0.00309601/step, 3.78264 hours remaining, 235.136719 MB of memory in use. ENERGY: 601600 3934.6197 20452.6224 14498.6660 272.4948 -203521.4440 3092.4708 0.0000 0.0000 51882.7879 -109387.7824 298.1711 -161270.5703 -109027.1971 298.2554 -123.2746 -87.7974 764853.3289 19.3452 19.2467 PRESSURE: 601800 31.7921 -149.926 -146.021 -149.925 -9.40276 -69.8458 -146.022 -69.8457 -241.27 GPRESSURE: 601800 75.2302 -150.968 -109.8 -189.8 16.3535 11.4056 -67.4473 -61.1977 -232.975 PRESSAVG: 601800 -23.6882 -35.2939 7.16095 -35.2938 -24.0897 62.5283 7.16098 62.5283 -1.59521 GPRESSAVG: 601800 -23.3982 -35.0395 7.17887 -34.7995 -24.8173 63.5174 7.83351 60.5847 -0.690866 TIMING: 601800 CPU: 1875.98, 0.00310328/step Wall: 1875.98, 0.00310328/step, 3.79135 hours remaining, 235.136719 MB of memory in use. ENERGY: 601800 4024.7475 20475.0093 14491.6914 250.9051 -203309.0492 2980.2533 0.0000 0.0000 51823.8432 -109262.5994 297.8323 -161086.4425 -108907.6794 298.3516 -72.9601 -47.1305 764373.9457 -16.4577 -16.3021 PRESSURE: 602000 -47.5911 193.399 -216.919 193.4 -17.3189 -64.5042 -216.919 -64.5045 -112.999 GPRESSURE: 602000 -97.7716 78.7549 -212.653 124.327 88.2026 -18.6351 -146.833 -109.666 -101.693 PRESSAVG: 602000 13.6285 5.11847 34.7022 5.11848 28.6749 7.92598 34.7022 7.92595 -13.0629 GPRESSAVG: 602000 13.6959 4.72434 34.1975 6.15271 30.4398 9.95345 34.8954 8.03374 -15.2322 TIMING: 602000 CPU: 1876.6, 0.00311334/step Wall: 1876.6, 0.00311334/step, 3.80346 hours remaining, 235.136719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 602000 3928.8787 20313.0888 14483.8985 244.4705 -202983.8363 2775.0890 0.0000 0.0000 52205.5157 -109032.8950 300.0258 -161238.4107 -108672.3210 298.4095 -59.3030 -37.0875 766525.3945 9.7468 9.6345 PRESSURE: 602200 45.7428 -58.0647 147.916 -58.0634 80.2379 56.0184 147.915 56.019 224.777 GPRESSURE: 602200 30.0399 -67.5403 95.6327 -16.7502 189.421 -22.6972 -99.9409 98.1693 219.295 PRESSAVG: 602200 9.23465 13.0082 -47.5202 13.0082 8.61074 -17.9705 -47.5202 -17.9706 -32.4775 GPRESSAVG: 602200 8.39106 11.7399 -48.6849 12.9191 8.78525 -18.6935 -49.8246 -16.9843 -31.7611 TIMING: 602200 CPU: 1877.22, 0.00309841/step Wall: 1877.22, 0.00309841/step, 3.78506 hours remaining, 235.136719 MB of memory in use. ENERGY: 602200 3947.5062 20485.6639 14447.8558 245.3958 -203225.9726 2989.2389 0.0000 0.0000 51976.6530 -109133.6591 298.7105 -161110.3120 -108781.4449 298.6617 116.9192 146.2519 766071.3208 -4.8774 -4.8616 PRESSURE: 602400 220.224 97.7162 -217.251 97.7159 -157.788 -93.9698 -217.251 -93.9696 7.70372 GPRESSURE: 602400 308.874 91.7102 -246.588 49.4392 -133.225 -105.24 -217.659 -101.254 5.63144 PRESSAVG: 602400 -12.0394 3.48835 -16.8103 3.48836 -20.994 -16.3961 -16.8103 -16.396 -24.7123 GPRESSAVG: 602400 -11.1207 5.03317 -15.9607 4.10772 -21.2563 -16.6586 -14.5164 -16.1358 -24.9966 TIMING: 602400 CPU: 1877.84, 0.00309747/step Wall: 1877.84, 0.00309747/step, 3.78373 hours remaining, 235.136719 MB of memory in use. ENERGY: 602400 3912.7595 20441.4656 14444.3410 239.2788 -202332.6564 2401.0489 0.0000 0.0000 52035.4886 -108858.2742 299.0487 -160893.7628 -108497.9051 298.9609 23.3801 60.4268 764237.0550 -19.2486 -19.1245 PRESSURE: 602600 117.368 6.42346 -49.1149 6.42358 -300.021 49.9363 -49.1147 49.9364 -199.402 GPRESSURE: 602600 211.322 23.3604 -84.0856 -30.0439 -305.266 63.6635 -159.202 44.0305 -212.212 PRESSAVG: 602600 -27.6677 -49.1641 29.2223 -49.1641 46.6917 -16.825 29.2223 -16.8251 -0.913259 GPRESSAVG: 602600 -27.9377 -49.3788 28.5851 -48.0971 47.6632 -17.3274 28.5057 -17.9823 -1.14868 TIMING: 602600 CPU: 1878.46, 0.00309277/step Wall: 1878.46, 0.00309277/step, 3.77782 hours remaining, 235.136719 MB of memory in use. ENERGY: 602600 4003.1847 20551.2837 14440.2173 252.6621 -202919.6627 2892.5221 0.0000 0.0000 52034.5397 -108745.2530 299.0432 -160779.7927 -108381.0847 299.5789 -127.3517 -102.0523 762476.0998 6.0369 6.1923 PRESSURE: 602800 -126.792 -18.9218 -112.802 -18.921 412.277 61.1168 -112.802 61.1164 -43.0174 GPRESSURE: 602800 -77.9072 34.3137 -42.9915 -216.209 400.907 31.1181 -107.151 25.2515 -12.9077 PRESSAVG: 602800 28.3309 -19.1072 7.53614 -19.1073 34.8808 -1.67377 7.53604 -1.67371 -11.2039 GPRESSAVG: 602800 27.8965 -20.2476 8.57942 -20.3875 33.5455 -1.17839 5.10398 -0.505545 -9.73222 TIMING: 602800 CPU: 1879.08, 0.0031006/step Wall: 1879.08, 0.0031006/step, 3.78722 hours remaining, 235.136719 MB of memory in use. ENERGY: 602800 4039.0862 20659.8466 14407.5949 236.6510 -202907.9973 2843.8640 0.0000 0.0000 52055.2054 -108665.7492 299.1620 -160720.9545 -108304.7502 299.7799 80.8223 103.3641 763581.8048 17.3359 17.2366 PRESSURE: 603000 306.21 64.1515 5.90316 64.1512 -309.105 177.699 5.90367 177.699 174.64 GPRESSURE: 603000 371.698 17.2689 -72.7537 184.284 -264.23 217.687 73.7919 147.179 133.356 PRESSAVG: 603000 36.3509 35.4174 -28.5442 35.4174 -22.5357 23.1464 -28.5442 23.1464 0.00297158 GPRESSAVG: 603000 36.606 35.3794 -31.5724 36.4654 -22.2072 22.6525 -24.7326 22.9582 0.123757 TIMING: 603000 CPU: 1879.7, 0.00309485/step Wall: 1879.7, 0.00309485/step, 3.78002 hours remaining, 235.136719 MB of memory in use. ENERGY: 603000 3954.3406 20643.2449 14423.3291 238.8664 -202901.1856 2932.1860 0.0000 0.0000 52006.2741 -108702.9446 298.8808 -160709.2187 -108348.5847 300.2091 57.2484 80.2745 764493.6102 4.6060 4.8408 PRESSURE: 603200 104.962 -30.4028 -238.41 -30.4033 -224.569 -98.7427 -238.409 -98.742 177.389 GPRESSURE: 603200 125.257 -58.9456 -264.225 -60.0018 -65.7954 -174.698 -102.363 7.15526 102.524 PRESSAVG: 603200 52.4309 32.1101 48.4337 32.1102 -35.986 -17.6595 48.4337 -17.6595 -16.6795 GPRESSAVG: 603200 52.6297 34.1686 48.2714 30.3928 -34.3644 -16.7224 47.373 -18.9149 -18.3169 TIMING: 603200 CPU: 1880.32, 0.00310798/step Wall: 1880.32, 0.00310798/step, 3.79588 hours remaining, 235.136719 MB of memory in use. ENERGY: 603200 3946.2748 20544.7289 14466.9475 244.2492 -203321.8431 2927.7962 0.0000 0.0000 52343.6453 -108848.2011 300.8196 -161191.8464 -108481.4058 299.9561 19.2609 53.9950 762669.2123 -0.0782 -0.0172 PRESSURE: 603400 21.5415 59.2828 104.826 59.283 49.9342 146.807 104.826 146.807 -195.904 GPRESSURE: 603400 99.9647 63.9286 178.346 62.5234 61.272 120.645 34.7227 81.7672 -204.438 PRESSAVG: 603400 27.2579 55.9735 13.9354 55.9736 -23.0803 -4.43192 13.9354 -4.4319 -17.1439 GPRESSAVG: 603400 28.589 54.4631 14.7516 56.081 -25.167 -4.11427 12.5775 -4.17036 -16.235 TIMING: 603400 CPU: 1880.94, 0.00311046/step Wall: 1880.94, 0.00311046/step, 3.79874 hours remaining, 235.136719 MB of memory in use. ENERGY: 603400 3978.9478 20491.8088 14413.9627 237.3014 -202744.8324 2832.0268 0.0000 0.0000 52160.3228 -108630.4622 299.7661 -160790.7849 -108272.2938 299.6155 -41.4760 -14.4004 765308.2033 -4.3221 -4.2710 PRESSURE: 603600 -69.7284 -69.3272 64.6551 -69.3269 -252.198 -134.501 64.6541 -134.502 604.91 GPRESSURE: 603600 -50.4455 -33.0869 107.209 -34.966 -214.954 -139.704 123.495 -145.733 610.058 PRESSAVG: 603600 2.26719 5.74982 26.0984 5.74982 32.409 -16.0838 26.0984 -16.0838 1.7236 GPRESSAVG: 603600 1.41165 4.86715 26.5847 6.30693 32.5941 -16.196 27.6554 -15.8176 2.15565 TIMING: 603600 CPU: 1881.56, 0.00310773/step Wall: 1881.56, 0.00310773/step, 3.79523 hours remaining, 235.136719 MB of memory in use. ENERGY: 603600 3999.4282 20815.9503 14431.7290 248.4817 -203316.3436 3041.1655 0.0000 0.0000 52149.2276 -108630.3613 299.7023 -160779.5889 -108263.5582 299.9044 94.3280 114.8862 763921.3485 12.1333 12.0538 PRESSURE: 603800 296.176 -91.4758 80.3009 -91.4744 8.45838 -209.059 80.3011 -209.059 56.6325 GPRESSURE: 603800 324.287 -138.693 -35.4567 -104.924 33.6107 -326.983 169.793 -287.838 65.833 PRESSAVG: 603800 -10.5913 -0.0393873 18.5842 -0.0394736 -4.44727 -23.7724 18.5841 -23.7725 11.4551 GPRESSAVG: 603800 -11.6917 0.901981 17.8917 -0.914511 -2.65628 -25.6849 16.0948 -22.4251 11.3932 TIMING: 603800 CPU: 1882.19, 0.00312199/step Wall: 1882.19, 0.00312199/step, 3.81247 hours remaining, 235.136719 MB of memory in use. ENERGY: 603800 4051.3297 20477.7942 14414.6941 249.0549 -203124.3872 2883.9386 0.0000 0.0000 52256.4960 -108791.0797 300.3188 -161047.5757 -108424.5842 299.8182 120.4223 141.2436 764253.4588 -1.1945 -0.9849 PRESSURE: 604000 -379.506 24.6521 124.472 24.6526 -268.172 251.432 124.471 251.432 -206.715 GPRESSURE: 604000 -346.37 -37.6472 137.886 171.334 -219.352 216.677 -14.0825 281.43 -197.884 PRESSAVG: 604000 46.3423 47.0366 -11.6637 47.0366 -41.3336 -6.04562 -11.6637 -6.04567 1.43752 GPRESSAVG: 604000 47.7616 46.3068 -10.9381 47.0798 -42.1726 -5.87255 -10.3853 -6.17486 0.981563 TIMING: 604000 CPU: 1882.81, 0.00311168/step Wall: 1882.81, 0.00311168/step, 3.79971 hours remaining, 235.136719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 604000 4040.2627 20401.6645 14518.9640 245.7838 -202284.2938 2288.4991 0.0000 0.0000 51971.6564 -108817.4633 298.6818 -160789.1197 -108460.6311 299.5325 -284.7978 -254.5353 764360.6184 2.1487 2.1902 PRESSURE: 604200 -242.387 -13.6632 84.47 -13.6631 -138.657 -292.463 84.4689 -292.464 79.3988 GPRESSURE: 604200 -215.929 55.8559 58.7534 -39.9726 -56.225 -196.971 260.205 -142.098 72.8765 PRESSAVG: 604200 40.9933 -21.3291 -22.0634 -21.3291 -14.2931 -4.48483 -22.0634 -4.48485 4.75364 GPRESSAVG: 604200 42.2747 -20.0557 -23.6617 -22.1878 -15.5059 -3.46064 -18.112 -3.55689 4.55061 TIMING: 604200 CPU: 1883.43, 0.00310807/step Wall: 1883.43, 0.00310807/step, 3.79513 hours remaining, 235.136719 MB of memory in use. ENERGY: 604200 3919.1290 20671.1044 14516.3335 249.8096 -203096.8866 2650.0636 0.0000 0.0000 52384.1742 -108706.2723 301.0526 -161090.4465 -108352.8519 300.2187 -100.5482 -66.4259 764528.9969 10.4846 10.4398 LDB: ============= START OF LOAD BALANCING ============== 1895.91 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1895.91 LDB: =============== DONE WITH MIGRATION ================ 1895.91 LDB: ============= START OF LOAD BALANCING ============== 1896.22 LDB: Largest compute 7002 load 0.031282 is 16.0% of average load 0.195019 LDB: Average compute 0.004367 is 2.2% of average load 0.195019 LDB: TIME 1896.23 LOAD: AVG 0.195019 MAX 0.218882 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.191 MB LDB: TIME 1896.23 LOAD: AVG 0.195019 MAX 0.218882 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.285 MB LDB: TIME 1896.23 LOAD: AVG 0.195019 MAX 0.217599 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.285 MB LDB: ============== END OF LOAD BALANCING =============== 1896.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1896.23 PRESSURE: 604400 -96.3368 -225.802 121.71 -225.802 -319.959 251.6 121.71 251.601 67.0554 GPRESSURE: 604400 -112.416 -274.238 89.119 -204.426 -224.03 164.673 82.8811 120.09 72.6678 PRESSAVG: 604400 60.7722 15.0346 -3.34751 15.0346 -52.407 -39.4365 -3.34747 -39.4366 -7.17338 GPRESSAVG: 604400 58.1546 12.8089 -2.16395 16.0426 -50.4797 -41.3803 -5.129 -38.7233 -6.41582 TIMING: 604400 CPU: 1884.07, 0.00318118/step Wall: 1884.07, 0.00318118/step, 3.88422 hours remaining, 233.734375 MB of memory in use. ENERGY: 604400 3990.3668 20657.0619 14464.0986 246.5410 -203014.7294 2792.0327 0.0000 0.0000 52111.3699 -108753.2586 299.4848 -160864.6285 -108401.1899 300.1954 -116.4133 -87.9261 764900.3792 0.3973 0.4197 PRESSURE: 604600 -309.073 77.1962 247.279 77.1952 -278.382 125.35 247.278 125.351 -161.685 GPRESSURE: 604600 -301.385 122.328 326.73 63.1204 -187.453 54.3185 181.127 96.5762 -162.209 PRESSAVG: 604600 45.2681 11.3598 84.9507 11.3598 -33.2133 -39.2017 84.9507 -39.2016 -8.59694 GPRESSAVG: 604600 47.8347 12.0997 86.0678 11.2277 -34.5271 -38.673 83.996 -40.9705 -9.85432 TIMING: 604600 CPU: 1884.69, 0.00311006/step Wall: 1884.69, 0.00311006/step, 3.79721 hours remaining, 233.734375 MB of memory in use. ENERGY: 604600 4011.6021 20333.3515 14417.1169 259.9642 -202956.2750 2603.6723 0.0000 0.0000 52407.9341 -108922.6339 301.1891 -161330.5681 -108549.1286 299.5368 -249.7134 -217.0155 764988.5736 1.1526 1.1511 PRESSURE: 604800 24.784 -106.34 7.262 -106.34 92.9284 274.158 7.26086 274.159 141.219 GPRESSURE: 604800 67.111 -104.981 46.5805 -88.2067 134.749 226.757 -11.3791 162.958 155.62 PRESSAVG: 604800 4.35311 23.4184 13.1641 23.4183 37.2584 50.0411 13.1641 50.0412 10.8786 GPRESSAVG: 604800 2.78612 24.8689 11.4762 22.3159 37.4702 50.2978 13.0224 47.4589 11.8902 TIMING: 604800 CPU: 1885.31, 0.00309242/step Wall: 1885.31, 0.00309243/step, 3.77551 hours remaining, 233.734375 MB of memory in use. ENERGY: 604800 3980.4104 20528.2795 14472.0466 258.6940 -203135.9979 2829.4411 0.0000 0.0000 52179.5561 -108887.5703 299.8766 -161067.1265 -108532.0972 299.5930 86.3104 119.1600 764100.1062 17.4967 17.3822 PRESSURE: 605000 1.94106 156.048 -113.299 156.048 -86.5577 -144.791 -113.3 -144.791 -190.121 GPRESSURE: 605000 71.1972 124.025 -176.185 27.704 -50.5362 -25.4906 -25.5944 -201.73 -231.398 PRESSAVG: 605000 52.9529 -19.3385 -34.5897 -19.3385 -22.781 17.6341 -34.5897 17.6341 32.4882 GPRESSAVG: 605000 52.1684 -21.8978 -33.4418 -18.4495 -21.5662 17.4759 -35.7041 19.5757 32.2228 TIMING: 605000 CPU: 1885.93, 0.00310176/step Wall: 1885.93, 0.00310176/step, 3.78674 hours remaining, 233.734375 MB of memory in use. ENERGY: 605000 3996.2194 20584.6331 14467.2278 256.0162 -203232.3236 3024.5319 0.0000 0.0000 51847.5341 -109056.1612 297.9685 -160903.6953 -108697.2026 299.5370 -91.5791 -70.2456 764159.4169 20.8867 20.9417 PRESSURE: 605200 -194.4 75.2952 -101.621 75.2957 202.244 -94.5332 -101.62 -94.5325 -227.037 GPRESSURE: 605200 -201.002 17.094 -165.608 5.26746 234.539 18.5312 -9.84274 -95.2835 -178.843 PRESSAVG: 605200 -51.4597 -6.90169 -6.39443 -6.90169 57.3474 -42.3984 -6.3944 -42.3984 19.3951 GPRESSAVG: 605200 -49.8113 -5.89877 -7.85056 -7.16702 55.5325 -40.6354 -3.53567 -41.6628 20.2231 TIMING: 605200 CPU: 1886.55, 0.00310514/step Wall: 1886.55, 0.00310514/step, 3.79068 hours remaining, 233.734375 MB of memory in use. ENERGY: 605200 3936.2876 20590.8497 14466.7642 252.9387 -202833.0750 2582.6259 0.0000 0.0000 52003.4325 -109000.1764 298.8644 -161003.6089 -108639.9352 299.2578 -73.0646 -48.4353 764921.9068 8.4276 8.6481 PRESSURE: 605400 359.706 107.66 -173.979 107.661 -125.605 -35.3649 -173.979 -35.3637 81.0435 GPRESSURE: 605400 413.943 109.417 -134.766 46.5037 -127.083 -16.8328 -60.4016 -97.0295 109.441 PRESSAVG: 605400 -21.2536 -4.44708 31.6788 -4.44705 20.5642 -8.77337 31.6788 -8.77336 17.16 GPRESSAVG: 605400 -22.3217 -5.71165 32.6695 -3.61383 22.3 -11.458 29.4894 -9.04379 16.5945 TIMING: 605400 CPU: 1887.17, 0.00310761/step Wall: 1887.17, 0.00310761/step, 3.79353 hours remaining, 233.734375 MB of memory in use. ENERGY: 605400 3942.2434 20590.0492 14438.4789 252.7888 -203397.3988 2979.4305 0.0000 0.0000 52381.0911 -108813.3170 301.0349 -161194.4080 -108450.4982 299.4133 105.0483 132.1002 764442.5305 5.4902 5.5243 PRESSURE: 605600 -106.752 -240.185 -69.4983 -240.185 115.234 -111.805 -69.4993 -111.805 -208.891 GPRESSURE: 605600 -51.084 -137.071 -153.93 -123.93 132.524 -146.775 -95.661 -66.578 -201.293 PRESSAVG: 605600 -29.4258 26.679 -53.5503 26.6789 3.67474 -35.0387 -53.5502 -35.0387 12.7247 GPRESSAVG: 605600 -29.3948 27.3733 -53.1363 27.0578 3.16906 -33.1619 -53.0979 -34.3503 13.4376 TIMING: 605600 CPU: 1887.79, 0.0031002/step Wall: 1887.79, 0.0031002/step, 3.78431 hours remaining, 233.734375 MB of memory in use. ENERGY: 605600 3971.9666 20396.7898 14517.9923 245.4666 -203062.9222 2948.7730 0.0000 0.0000 52059.5079 -108922.4259 299.1867 -160981.9339 -108557.0152 299.4114 -66.8031 -39.9513 764077.9864 -4.3421 -4.2627 PRESSURE: 605800 169.383 -135.252 -26.2716 -135.251 128.969 59.518 -26.2712 59.5182 510.638 GPRESSURE: 605800 130.221 -100.076 -80.057 -78.0572 182.26 -18.6786 7.28437 143.775 584.579 PRESSAVG: 605800 -26.2537 21.7728 -2.69964 21.7728 31.1867 -14.2514 -2.69963 -14.2514 -1.80765 GPRESSAVG: 605800 -26.6471 22.8982 -3.86307 20.9698 30.7941 -17.0519 -1.22363 -14.0162 -0.536215 TIMING: 605800 CPU: 1888.41, 0.0031057/step Wall: 1888.41, 0.0031057/step, 3.79085 hours remaining, 233.734375 MB of memory in use. ENERGY: 605800 3984.2429 20563.9444 14483.3038 249.7122 -202577.4701 2468.6277 0.0000 0.0000 52033.3901 -108794.2490 299.0366 -160827.6391 -108428.7083 299.5090 269.6634 299.0198 763796.4773 1.0418 1.2036 PRESSURE: 606000 296.136 99.6984 -327.275 99.6986 305.552 101.136 -327.274 101.137 167.423 GPRESSURE: 606000 247.504 74.9488 -291.205 127.095 337.094 70.7764 -348.071 64.977 258.981 PRESSAVG: 606000 -19.3769 48.0287 -13.0195 48.0287 35.53 18.7695 -13.0195 18.7694 10.5454 GPRESSAVG: 606000 -19.6606 47.0823 -13.4423 48.7603 35.182 18.8117 -13.1538 19.0409 10.6676 TIMING: 606000 CPU: 1889.04, 0.00310659/step Wall: 1889.04, 0.00310659/step, 3.79177 hours remaining, 233.734375 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: 606000 3995.8793 20680.8062 14437.8271 252.9835 -203156.5810 2802.9905 0.0000 0.0000 51911.9195 -109074.1749 298.3385 -160986.0944 -108717.5611 299.3628 256.3705 281.1931 764912.8831 8.8995 8.7296 PRESSURE: 606200 352.342 74.9552 175.098 74.9564 -100.793 -131.901 175.099 -131.901 -93.9287 GPRESSURE: 606200 355.708 63.9744 111.187 -47.6844 25.4329 -126.517 123.37 -11.922 -153.148 PRESSAVG: 606200 -25.0686 22.1468 -34.3595 22.1468 14.5386 -34.0585 -34.3595 -34.0585 8.26628 GPRESSAVG: 606200 -25.532 24.0114 -33.459 19.3698 15.2429 -31.3788 -35.4399 -34.3896 8.42459 TIMING: 606200 CPU: 1889.66, 0.00310021/step Wall: 1889.66, 0.00310021/step, 3.78381 hours remaining, 233.734375 MB of memory in use. ENERGY: 606200 3959.5480 20449.5478 14432.5601 224.6699 -203032.7270 2880.9649 0.0000 0.0000 52051.5807 -109033.8555 299.1411 -161085.4362 -108672.5267 299.0052 52.5399 75.9975 763842.4594 -0.7546 -0.6215 PRESSURE: 606400 158.858 44.9043 84.3381 44.9042 206.251 -172.364 84.339 -172.363 151.686 GPRESSURE: 606400 176.016 73.2976 81.8239 46.167 181.947 -195.278 63.7699 -139.028 232.025 PRESSAVG: 606400 11.2964 60.0456 -12.5011 60.0457 15.7112 -31.0458 -12.5011 -31.0457 11.475 GPRESSAVG: 606400 12.7243 58.9044 -12.1103 59.9794 15.4361 -32.6608 -14.0543 -32.0346 10.7772 TIMING: 606400 CPU: 1890.28, 0.00310462/step Wall: 1890.28, 0.00310462/step, 3.78902 hours remaining, 233.734375 MB of memory in use. ENERGY: 606400 3908.0668 20558.3257 14476.4290 241.1497 -203077.0771 2951.4658 0.0000 0.0000 52204.6900 -108736.9502 300.0211 -160941.6402 -108382.1384 299.0829 172.2650 196.6626 764811.8067 12.8275 12.9792 PRESSURE: 606600 267.191 1.18745 39.5992 1.18743 -67.5281 295.965 39.5992 295.966 142.828 GPRESSURE: 606600 249.366 31.2451 55.9217 -135.034 64.5563 301.257 14.7375 252.029 96.1482 PRESSAVG: 606600 40.1789 54.997 -25.3302 54.997 -25.3099 -33.8614 -25.3301 -33.8613 14.0702 GPRESSAVG: 606600 39.3398 53.8781 -24.3137 55.7786 -24.1595 -33.518 -23.8957 -32.8379 13.3566 TIMING: 606600 CPU: 1890.89, 0.00309151/step Wall: 1890.89, 0.00309151/step, 3.77284 hours remaining, 233.734375 MB of memory in use. ENERGY: 606600 4003.4567 20414.9464 14401.1930 234.3999 -202967.5115 2664.1078 0.0000 0.0000 52036.0249 -109213.3828 299.0518 -161249.4077 -108852.1948 299.3319 114.1634 136.6902 764512.7304 9.6464 9.5123 PRESSURE: 606800 -144.821 203.175 28.4053 203.175 -347.497 -211.423 28.4053 -211.423 310.351 GPRESSURE: 606800 -185.923 220.126 52.14 219.006 -274.586 -248.906 -104.911 -131.81 358.798 PRESSAVG: 606800 0.83311 -18.4116 -33.881 -18.4115 3.17663 -28.7542 -33.8811 -28.7542 -12.8716 GPRESSAVG: 606800 0.504894 -17.5558 -36.0481 -18.1129 2.6089 -27.8775 -33.4394 -28.1684 -12.698 TIMING: 606800 CPU: 1891.51, 0.00309293/step Wall: 1891.51, 0.00309293/step, 3.7744 hours remaining, 233.734375 MB of memory in use. ENERGY: 606800 4007.1263 20484.8541 14418.1345 247.4092 -202903.2276 2643.8046 0.0000 0.0000 52050.4142 -109051.4848 299.1344 -161101.8989 -108695.5556 298.8991 -60.6558 -33.9039 763787.1095 -2.9540 -3.1947 PRESSURE: 607000 -192.185 130.325 77.0855 130.324 320.559 -214.139 77.0854 -214.139 -258.274 GPRESSURE: 607000 -55.3649 169.986 78.3548 93.6234 253.305 -227.934 9.18146 -152.127 -239.662 PRESSAVG: 607000 -14.1715 7.85255 -32.3224 7.8526 9.81241 -15.3824 -32.3224 -15.3823 -0.287259 GPRESSAVG: 607000 -13.1314 7.19984 -33.2292 7.90565 7.83526 -14.7413 -32.8281 -18.601 0.992672 TIMING: 607000 CPU: 1892.13, 0.00309259/step Wall: 1892.13, 0.00309259/step, 3.77382 hours remaining, 233.734375 MB of memory in use. ENERGY: 607000 3949.8527 20443.1314 14416.4872 245.2239 -202968.4137 2899.7737 0.0000 0.0000 52026.8505 -108987.0945 298.9990 -161013.9450 -108623.8932 299.0893 -43.2999 -13.9075 763421.3148 -1.5488 -1.4345 PRESSURE: 607200 260.954 2.30391 -80.4253 2.3039 -135.986 -151.812 -80.4253 -151.813 86.6766 GPRESSURE: 607200 253.19 -115.868 -94.0563 42.4898 14.1175 -207.472 93.3853 -96.3611 22.3224 PRESSAVG: 607200 21.1366 57.5161 -59.5424 57.5161 -29.0828 -13.8292 -59.5424 -13.8291 16.6142 GPRESSAVG: 607200 20.2683 57.1881 -58.4361 59.3839 -27.3343 -13.7402 -58.0084 -11.6518 15.6847 TIMING: 607200 CPU: 1892.75, 0.00310385/step Wall: 1892.75, 0.00310385/step, 3.78739 hours remaining, 233.734375 MB of memory in use. ENERGY: 607200 3901.5226 20485.1150 14463.2142 258.1140 -202864.3658 2713.7665 0.0000 0.0000 51957.8943 -109084.7392 298.6027 -161042.6336 -108715.0674 299.0390 70.5481 96.5432 763131.7827 2.8893 2.8729 PRESSURE: 607400 133.655 114.971 -176.593 114.971 97.78 299.157 -176.593 299.158 -304.698 GPRESSURE: 607400 166.543 108.733 -225.728 152.967 149.561 354.303 -211.163 230.429 -299.186 PRESSAVG: 607400 -23.431 47.1319 -9.29158 47.1319 25.7775 19.653 -9.29163 19.653 -11.0463 GPRESSAVG: 607400 -22.6888 48.9895 -8.25606 44.6992 25.1763 17.6874 -10.4079 19.0612 -11.0747 TIMING: 607400 CPU: 1893.37, 0.00309926/step Wall: 1893.37, 0.00309927/step, 3.78162 hours remaining, 233.734375 MB of memory in use. ENERGY: 607400 4004.5560 20454.5328 14517.0567 270.5364 -202927.1633 2603.9837 0.0000 0.0000 51812.1603 -109264.3375 297.7652 -161076.4978 -108901.4113 299.6251 -24.4208 5.6394 762670.9611 -2.8999 -2.8624 PRESSURE: 607600 -227.115 50.038 -42.7021 50.0364 179.809 -84.6316 -42.7027 -84.6315 -421.933 GPRESSURE: 607600 -208.375 81.6524 -35.9401 75.0259 147.339 -117.096 32.6821 -30.0397 -348.403 PRESSAVG: 607600 2.07887 44.1247 -31.2592 44.1247 7.91427 -37.0152 -31.2592 -37.0152 15.7695 GPRESSAVG: 607600 1.5026 44.0443 -31.1798 46.7017 6.94697 -36.5032 -33.0196 -35.2118 17.071 TIMING: 607600 CPU: 1893.99, 0.0031009/step Wall: 1893.99, 0.0031009/step, 3.78345 hours remaining, 233.734375 MB of memory in use. ENERGY: 607600 3981.5513 20362.6953 14466.7226 231.0756 -202365.5647 2244.8478 0.0000 0.0000 51999.4089 -109079.2633 298.8413 -161078.6721 -108716.3587 298.7902 -156.4131 -136.4797 763268.1269 8.5876 8.5068 PRESSURE: 607800 123.019 -144.434 -32.6511 -144.434 77.844 247.891 -32.651 247.891 144.272 GPRESSURE: 607800 90.7699 -140.636 -44.0396 -178.79 141.399 229.693 -60.0358 71.2412 191.163 PRESSAVG: 607800 -10.7462 5.1942 -57.4643 5.19421 54.0878 -53.0196 -57.4644 -53.0196 -13.9731 GPRESSAVG: 607800 -10.237 3.40647 -57.5577 2.23147 55.408 -52.5823 -55.8301 -54.1391 -15.5712 TIMING: 607800 CPU: 1894.61, 0.00311083/step Wall: 1894.61, 0.00311083/step, 3.79538 hours remaining, 233.734375 MB of memory in use. ENERGY: 607800 4027.3183 20463.5922 14445.3477 230.2881 -203358.6736 2958.3756 0.0000 0.0000 52059.0046 -109174.7471 299.1838 -161233.7518 -108812.0505 299.1404 115.0452 141.1106 761595.4023 9.7895 9.8666 PRESSURE: 608000 -302.32 -74.0349 38.7071 -74.0344 124.863 92.532 38.7067 92.5314 164.336 GPRESSURE: 608000 -220.868 -110.408 -72.4682 -2.24823 120.36 40.8076 2.45049 -5.49808 180.778 PRESSAVG: 608000 -75.0372 21.0615 -38.0993 21.0615 54.4514 -35.5898 -38.0993 -35.5899 -15.754 GPRESSAVG: 608000 -74.9803 21.0162 -37.5722 22.274 52.6384 -36.2436 -38.7607 -37.4369 -13.283 TIMING: 608000 CPU: 1895.23, 0.00309825/step Wall: 1895.23, 0.00309825/step, 3.77987 hours remaining, 233.734375 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: 608000 3953.3314 20456.6885 14416.2852 245.2836 -203065.6250 2836.5398 0.0000 0.0000 51830.8303 -109326.6661 297.8725 -161157.4964 -108962.1227 298.6227 -4.3735 26.7568 764602.5103 -12.1133 -11.8750 PRESSURE: 608200 297.253 -0.399838 7.89165 -0.399532 107.945 7.98439 7.89151 7.98515 -159.635 GPRESSURE: 608200 299.222 -49.4868 75.1286 -178.022 194.712 0.960122 35.5348 46.4296 -159.644 PRESSAVG: 608200 -85.7263 -7.18545 -10.7684 -7.18546 86.7024 -1.00587 -10.7685 -1.00587 -18.1039 GPRESSAVG: 608200 -85.5646 -6.94351 -11.4238 -7.98372 87.9909 -1.86919 -11.7596 2.03066 -19.9372 TIMING: 608200 CPU: 1895.86, 0.00310819/step Wall: 1895.86, 0.00310819/step, 3.79182 hours remaining, 233.734375 MB of memory in use. ENERGY: 608200 3987.1458 20508.8874 14366.4320 258.4375 -203267.1947 2932.9174 0.0000 0.0000 51752.7119 -109460.6626 297.4235 -161213.3745 -109105.8963 298.1465 81.8544 111.4298 763154.9696 -5.7093 -5.8370 LDB: ============= START OF LOAD BALANCING ============== 1908.33 LDB: ============== END OF LOAD BALANCING =============== 1908.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1908.33 LDB: ============= START OF LOAD BALANCING ============== 1908.64 LDB: Largest compute 7005 load 0.030765 is 15.8% of average load 0.194868 LDB: Average compute 0.004370 is 2.2% of average load 0.194868 LDB: TIME 1908.65 LOAD: AVG 0.194868 MAX 0.215656 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.016 MB LDB: TIME 1908.65 LOAD: AVG 0.194868 MAX 0.215656 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.219 MB LDB: TIME 1908.65 LOAD: AVG 0.194868 MAX 0.215656 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.219 MB LDB: ============== END OF LOAD BALANCING =============== 1908.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1908.65 PRESSURE: 608400 -11.7987 100.358 32.4138 100.357 -413.649 -334.529 32.4145 -334.528 -29.2907 GPRESSURE: 608400 -67.9067 42.1752 -17.5957 13.3084 -231.689 -337.347 181.349 -213.05 -55.0507 PRESSAVG: 608400 -12.3285 0.93373 38.6685 0.933712 14.4549 0.300364 38.6685 0.300325 -0.740906 GPRESSAVG: 608400 -12.1659 1.40862 39.3632 0.722034 15.082 2.18503 40.3264 -2.22967 -1.05912 TIMING: 608400 CPU: 1896.49, 0.0031652/step Wall: 1896.49, 0.0031652/step, 3.86119 hours remaining, 236.816406 MB of memory in use. ENERGY: 608400 3973.1412 20430.7067 14438.1172 235.7823 -202937.5678 2498.4356 0.0000 0.0000 51926.9057 -109434.4792 298.4246 -161361.3849 -109070.1604 298.4493 -151.5795 -118.2155 763671.5276 0.4618 0.6190 PRESSURE: 608600 131.317 12.7114 -100.72 12.7125 -57.239 296.913 -100.719 296.913 135.709 GPRESSURE: 608600 111.478 207.797 -95.1463 -80.4349 66.3033 313.838 -180.226 66.1661 133.091 PRESSAVG: 608600 16.2319 51.1655 32.1717 51.1655 -36.0626 29.1419 32.1717 29.1419 15.508 GPRESSAVG: 608600 16.1708 51.8451 29.6996 51.7889 -36.2891 30.9481 31.8185 28.8743 15.7563 TIMING: 608600 CPU: 1897.11, 0.00309669/step Wall: 1897.11, 0.00309669/step, 3.77744 hours remaining, 236.816406 MB of memory in use. ENERGY: 608600 3977.6590 20523.8914 14431.8076 231.7139 -203313.1295 2927.3782 0.0000 0.0000 51738.7952 -109481.8842 297.3436 -161220.6794 -109116.4126 298.4273 69.9292 103.6242 762766.5044 -1.4409 -1.4540 PRESSURE: 608800 63.12 190.25 -74.6327 190.251 -170.796 -158.851 -74.6325 -158.853 527.606 GPRESSURE: 608800 173.14 148.459 -43.1057 39.1703 -204.322 -212.518 -171.047 0.0347761 529.945 PRESSAVG: 608800 -5.63223 10.6682 24.0143 10.6682 25.4903 -19.7526 24.0143 -19.7526 7.64563 GPRESSAVG: 608800 -6.22837 12.2922 24.9542 9.79474 25.1523 -23.6059 25.2969 -18.4958 7.94453 TIMING: 608800 CPU: 1897.73, 0.00310362/step Wall: 1897.73, 0.00310362/step, 3.78573 hours remaining, 236.816406 MB of memory in use. ENERGY: 608800 3956.2658 20589.3706 14434.0130 243.3230 -203869.1273 3254.0375 0.0000 0.0000 51831.0815 -109561.0360 297.8739 -161392.1174 -109207.8387 298.2983 139.9767 166.2545 763416.0706 9.1679 8.9562 PRESSURE: 609000 -135.803 56.0239 -98.5242 56.0244 -388.459 177.41 -98.5241 177.41 -445.37 GPRESSURE: 609000 -115.061 78.5575 -56.2411 18.2266 -322.936 213.431 -78.7876 155.857 -473.879 PRESSAVG: 609000 -51.9364 32.0768 14.2967 32.0767 -3.27391 12.7056 14.2968 12.7056 11.2263 GPRESSAVG: 609000 -52.2691 30.3769 13.9966 35.4837 -2.0611 13.8069 13.5427 11.5976 10.2365 TIMING: 609000 CPU: 1898.35, 0.00309072/step Wall: 1898.35, 0.00309072/step, 3.76982 hours remaining, 236.816406 MB of memory in use. ENERGY: 609000 3958.2316 20583.4444 14408.4970 257.5208 -203441.4934 2669.7659 0.0000 0.0000 52005.9894 -109558.0444 298.8791 -161564.0338 -109196.5453 298.5734 -323.2106 -303.9589 765246.1928 -14.6613 -14.6979 PRESSURE: 609200 284.316 -173.868 -53.3534 -173.868 225.785 -11.9986 -53.3543 -11.9996 5.33498 GPRESSURE: 609200 355.91 -45.5354 31.1624 -153.064 222.581 -73.3221 -115.003 -35.296 22.2354 PRESSAVG: 609200 76.2412 -22.3863 -12.7402 -22.3863 -36.836 9.38981 -12.7402 9.3897 -5.81654 GPRESSAVG: 609200 75.8588 -21.8083 -12.5767 -22.9347 -37.662 12.1121 -12.7035 9.77988 -4.28197 TIMING: 609200 CPU: 1898.97, 0.00309819/step Wall: 1898.97, 0.00309819/step, 3.77876 hours remaining, 236.816406 MB of memory in use. ENERGY: 609200 3924.7316 20557.6752 14376.7533 253.2947 -203667.5764 3078.5966 0.0000 0.0000 51846.5699 -109629.9550 297.9629 -161476.5250 -109261.0814 298.1574 171.8121 200.2419 764102.6909 11.1962 11.3049 PRESSURE: 609400 54.5946 -17.076 121.905 -17.0762 -3.8425 -253.453 121.906 -253.453 138.912 GPRESSURE: 609400 79.7293 36.0692 210.612 -33.3495 5.96088 -294.826 108.506 -280.538 191.999 PRESSAVG: 609400 35.8249 31.1109 57.9276 31.1108 -49.701 -3.04849 57.9276 -3.0485 -11.7627 GPRESSAVG: 609400 36.582 32.3522 57.7713 29.7065 -49.8851 -4.95042 58.051 -2.92474 -12.5213 TIMING: 609400 CPU: 1899.59, 0.00310559/step Wall: 1899.59, 0.00310559/step, 3.78761 hours remaining, 236.816406 MB of memory in use. ENERGY: 609400 3913.9967 20376.6629 14422.5498 232.5660 -203617.1616 3061.1643 0.0000 0.0000 52056.2297 -109553.9923 299.1679 -161610.2219 -109191.8539 297.7871 63.2215 92.5630 763993.8646 -8.5463 -8.6081 PRESSURE: 609600 322.833 137.477 -102.418 137.477 -1.54055 146.951 -102.419 146.951 -107.131 GPRESSURE: 609600 229.993 37.8774 -140.136 216.158 76.7121 215.472 -212.872 118.267 -8.51235 PRESSAVG: 609600 75.3877 6.30004 33.3802 6.30005 -64.4017 23.4923 33.3802 23.4924 -17.0587 GPRESSAVG: 609600 74.484 4.93581 34.9753 7.68672 -63.2254 23.085 32.5863 24.0977 -17.4633 TIMING: 609600 CPU: 1900.21, 0.00308873/step Wall: 1900.21, 0.00308873/step, 3.76688 hours remaining, 236.816406 MB of memory in use. ENERGY: 609600 3964.4152 20570.3523 14431.9517 244.4677 -203323.6168 2834.2017 0.0000 0.0000 51781.3672 -109496.8610 297.5882 -161278.2282 -109136.3343 297.7894 71.3871 99.3976 762051.7164 -2.0242 -2.0682 PRESSURE: 609800 6.85881 -225.373 101.582 -225.373 -32.8071 -151.426 101.582 -151.426 -24.4662 GPRESSURE: 609800 106.52 -212.246 78.3842 -290.924 -69.6102 -110.433 226.98 -211.098 -16.9873 PRESSAVG: 609800 38.7413 5.18951 76.4117 5.18954 -19.2974 -41.1063 76.4117 -41.1062 1.02242 GPRESSAVG: 609800 38.6547 5.59925 74.8864 3.92297 -19.0232 -40.979 76.0732 -41.6546 0.695425 TIMING: 609800 CPU: 1900.82, 0.00308921/step Wall: 1900.82, 0.00308921/step, 3.7673 hours remaining, 236.816406 MB of memory in use. ENERGY: 609800 4021.2074 20469.1668 14463.4052 242.7618 -203197.8530 2862.3178 0.0000 0.0000 51797.1744 -109341.8196 297.6791 -161138.9940 -108977.0746 298.0427 -16.8048 6.6407 761458.4774 6.8221 6.7756 PRESSURE: 610000 32.3305 -14.5205 33.8441 -14.5203 59.3651 -52.6833 33.844 -52.6833 30.4947 GPRESSURE: 610000 151.981 -17.6536 60.662 -37.4497 17.8343 -70.9968 47.5659 59.6773 28.664 PRESSAVG: 610000 35.7304 7.14096 33.9807 7.14089 -28.7952 19.1001 33.9807 19.1 -11.7206 GPRESSAVG: 610000 35.7603 6.53831 34.7808 8.7611 -28.544 19.8311 33.8564 19.1161 -11.7724 TIMING: 610000 CPU: 1901.44, 0.00309548/step Wall: 1901.44, 0.00309548/step, 3.77477 hours remaining, 236.816406 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: 610000 4133.9054 20426.2215 14550.9785 231.8955 -202891.8276 2524.2978 0.0000 0.0000 51783.6529 -109240.8760 297.6014 -161024.5289 -108888.9949 298.4575 40.7301 66.1598 762164.5328 -1.5951 -1.5187 PRESSURE: 610200 10.1817 42.4721 169.738 42.4711 106.554 40.2584 169.738 40.2577 388.095 GPRESSURE: 610200 104.911 152.401 192.936 39.3275 159.013 51.4282 147.002 127.748 314.404 PRESSAVG: 610200 58.4875 34.3711 -2.30412 34.3711 -50.2019 -1.17761 -2.30417 -1.17751 20.0539 GPRESSAVG: 610200 59.0853 35.8537 -3.02112 33.8542 -50.9836 -3.39731 -1.98472 -0.468972 20.3859 TIMING: 610200 CPU: 1902.06, 0.00309947/step Wall: 1902.06, 0.00309947/step, 3.77947 hours remaining, 236.816406 MB of memory in use. ENERGY: 610200 3996.3287 20374.4753 14477.2783 261.0046 -203157.5838 2901.0993 0.0000 0.0000 51894.9305 -109252.4671 298.2409 -161147.3976 -108892.2440 298.8158 168.2769 192.7762 763687.2827 9.4465 9.4959 PRESSURE: 610400 135.174 -62.5649 -0.191003 -62.5653 106.7 -157.082 -0.191339 -157.082 20.4895 GPRESSURE: 610400 185.998 -162.446 -12.5584 -54.548 167.038 -96.9558 -64.6023 -113.623 12.1621 PRESSAVG: 610400 -1.84349 15.6772 -12.5535 15.6773 -27.9402 18.205 -12.5536 18.205 -21.7417 GPRESSAVG: 610400 -3.09486 14.3209 -11.9671 13.582 -27.8544 19.8137 -12.0472 19.1676 -20.425 TIMING: 610400 CPU: 1902.68, 0.00310299/step Wall: 1902.68, 0.00310299/step, 3.78358 hours remaining, 236.816406 MB of memory in use. ENERGY: 610400 3932.1856 20582.0150 14419.2720 248.8465 -203284.7339 2790.4370 0.0000 0.0000 51808.0174 -109503.9604 297.7414 -161311.9778 -109139.2388 298.4644 87.4546 121.7330 762642.7489 -17.1751 -17.1248 PRESSURE: 610600 -207.636 -105.129 -20.2045 -105.128 42.0525 15.1592 -20.2048 15.1586 -2.68012 GPRESSURE: 610600 -89.5942 -73.3352 9.81205 -51.5565 -17.6279 32.492 -117.152 99.5516 18.302 PRESSAVG: 610600 -3.70952 7.36337 19.4373 7.36343 1.48022 4.39514 19.4373 4.39511 11.0637 GPRESSAVG: 610600 -2.86989 8.1462 19.3058 8.04268 0.899612 4.18 18.642 4.46006 10.9986 TIMING: 610600 CPU: 1903.3, 0.00309245/step Wall: 1903.3, 0.00309245/step, 3.77055 hours remaining, 236.816406 MB of memory in use. ENERGY: 610600 3946.5932 20531.9968 14418.2056 238.0935 -203383.9798 2919.8975 0.0000 0.0000 51940.1622 -109389.0308 298.5008 -161329.1931 -109031.0469 298.2389 -56.0878 -29.6400 760570.3079 2.9448 3.0094 PRESSURE: 610800 -167.253 139.759 -71.3876 139.759 -51.4037 5.60105 -71.387 5.60056 -178.108 GPRESSURE: 610800 -116.995 73.6917 -45.4437 138.742 -9.27642 6.41823 -2.85278 -45.7299 -189.555 PRESSAVG: 610800 2.75458 17.2905 -44.824 17.2905 -5.51137 22.1461 -44.8241 22.146 2.68664 GPRESSAVG: 610800 1.26599 16.9907 -44.3309 17.6928 -4.14602 20.6678 -42.1529 20.6329 2.57759 TIMING: 610800 CPU: 1903.92, 0.00309792/step Wall: 1903.92, 0.00309792/step, 3.77705 hours remaining, 236.816406 MB of memory in use. ENERGY: 610800 3957.4218 20494.5865 14448.8218 242.5819 -203038.6847 2741.9584 0.0000 0.0000 51952.4760 -109200.8385 298.5716 -161153.3144 -108841.4910 298.7312 -132.2549 -105.2756 763135.8430 -0.0234 -0.1008 PRESSURE: 611000 -71.42 15.617 -100.888 15.6172 -120.219 147.956 -100.887 147.956 -422.886 GPRESSURE: 611000 -16.065 58.8404 -95.625 83.3385 -158.802 163.261 -173.232 79.9005 -353.647 PRESSAVG: 611000 -41.2063 24.3718 24.3226 24.3718 -11.8115 27.2827 24.3227 27.2827 2.96441 GPRESSAVG: 611000 -40.5246 23.2452 25.6499 23.7912 -12.5576 27.6489 23.0696 28.0094 2.55503 TIMING: 611000 CPU: 1904.54, 0.00311926/step Wall: 1904.54, 0.00311926/step, 3.8029 hours remaining, 236.816406 MB of memory in use. ENERGY: 611000 4033.7818 20576.7549 14492.7493 231.8527 -203450.0018 2794.5609 0.0000 0.0000 51894.9678 -109425.3342 298.2411 -161320.3021 -109064.2600 298.3906 -204.8416 -176.1713 762403.5586 -16.6845 -16.8424 PRESSURE: 611200 67.4681 -138.217 -30.1433 -138.217 -122.036 70.5585 -30.1424 70.5589 -33.4981 GPRESSURE: 611200 47.6804 -107.624 -13.9367 -119.832 -52.713 127.308 -136.128 34.4614 17.2289 PRESSAVG: 611200 -9.25437 52.4641 -25.6601 52.4641 0.0329367 -65.9443 -25.6601 -65.9444 10.3108 GPRESSAVG: 611200 -9.6934 54.8139 -26.7613 50.8018 0.389159 -64.8145 -26.0334 -68.1659 10.8221 TIMING: 611200 CPU: 1905.17, 0.00311048/step Wall: 1905.17, 0.00311048/step, 3.79203 hours remaining, 236.816406 MB of memory in use. ENERGY: 611200 4000.0802 20436.7983 14437.3635 228.7415 -203502.0685 2901.8580 0.0000 0.0000 52076.9435 -109420.2835 299.2869 -161497.2271 -109047.6504 298.3455 -29.3554 4.0654 761677.2645 0.3631 0.5059 PRESSURE: 611400 -190.75 -36.4465 -189.977 -36.4468 10.6325 -242.626 -189.976 -242.626 -31.7339 GPRESSURE: 611400 -85.2869 6.22263 -136.189 -25.116 -78.3401 -191.013 -206.661 -35.0453 26.2765 PRESSAVG: 611400 31.7274 38.2081 15.2701 38.208 -35.2878 46.1966 15.27 46.1967 6.42781 GPRESSAVG: 611400 32.9355 38.1159 15.3399 39.826 -36.3413 44.9992 15.4498 48.2976 5.93282 TIMING: 611400 CPU: 1905.79, 0.00311104/step Wall: 1905.79, 0.00311104/step, 3.79253 hours remaining, 236.816406 MB of memory in use. ENERGY: 611400 4023.9582 20487.3055 14433.8336 256.9456 -203219.2250 2679.4202 0.0000 0.0000 51989.3538 -109348.4081 298.7835 -161337.7619 -108993.0477 298.7640 -70.6172 -45.7835 761783.6124 0.9558 0.8423 PRESSURE: 611600 145.683 101.28 68.0588 101.28 -81.7111 -5.381 68.0594 -5.38172 32.4537 GPRESSURE: 611600 101.698 70.5547 -11.1241 51.6564 -51.8393 58.7742 150.533 67.8606 120.183 PRESSAVG: 611600 12.4681 73.3094 38.1524 73.3094 -28.2063 -3.56642 38.1524 -3.56635 1.70201 GPRESSAVG: 611600 11.2328 72.607 38.1997 74.2307 -27.6777 -5.32463 38.6605 -3.66639 2.43734 TIMING: 611600 CPU: 1906.41, 0.00310484/step Wall: 1906.41, 0.00310484/step, 3.7848 hours remaining, 236.816406 MB of memory in use. ENERGY: 611600 4036.5692 20698.6004 14373.4507 247.3764 -203662.0285 3011.2300 0.0000 0.0000 52003.8374 -109290.9645 298.8668 -161294.8019 -108937.5777 298.5604 32.1420 56.6806 762292.1413 -4.6787 -4.6692 PRESSURE: 611800 36.6011 -170.735 25.9045 -170.735 0.16782 143.461 25.9048 143.462 -60.7823 GPRESSURE: 611800 52.3755 -117.447 47.7029 -240.863 80.3923 76.2832 -52.0187 112.806 -76.723 PRESSAVG: 611800 -25.8562 69.1109 -14.667 69.1109 0.588647 39.2706 -14.667 39.2705 -12.5912 GPRESSAVG: 611800 -26.2302 68.5049 -14.314 66.8152 0.65992 40.5212 -14.2953 38.2849 -12.8022 TIMING: 611800 CPU: 1907.03, 0.00309562/step Wall: 1907.03, 0.00309562/step, 3.77339 hours remaining, 236.816406 MB of memory in use. ENERGY: 611800 3952.3463 20776.2072 14508.7923 230.8529 -203022.6869 2728.5341 0.0000 0.0000 51900.0744 -108925.8797 298.2704 -160825.9541 -108572.8613 299.2143 -8.0045 18.6816 764912.4934 -12.6196 -12.7908 PRESSURE: 612000 8.16063 48.0371 2.60503 48.0373 -124.568 192.586 2.60521 192.585 22.7341 GPRESSURE: 612000 -19.5192 152.503 89.0363 -72.4294 -85.5808 185.723 -109.795 131.792 111.497 PRESSAVG: 612000 72.3037 32.1322 -1.36319 32.1322 -26.3542 8.73134 -1.3632 8.73133 11.3017 GPRESSAVG: 612000 71.4459 33.6988 -2.11178 31.4002 -25.7749 9.22184 -2.24305 10.4452 11.9236 TIMING: 612000 CPU: 1907.65, 0.00308883/step Wall: 1907.65, 0.00308883/step, 3.76494 hours remaining, 236.816406 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: 612000 4044.0262 20441.3999 14421.6898 254.5299 -203209.5742 2827.7028 0.0000 0.0000 52075.8091 -109144.4164 299.2804 -161220.2255 -108769.4153 299.5294 -31.2244 2.1324 762736.4903 19.0837 19.1982 PRESSURE: 612200 -249.04 99.8016 -51.0559 99.8018 -127.838 -147.121 -51.0559 -147.122 -33.8834 GPRESSURE: 612200 -216.687 164.473 -35.4472 194.408 -75.9334 -171.362 4.97185 -25.9261 -35.3455 PRESSAVG: 612200 11.1464 -18.4173 34.7118 -18.4173 15.0194 44.5919 34.7119 44.5919 -1.71375 GPRESSAVG: 612200 11.6938 -17.88 36.2805 -14.7554 14.6501 44.6281 30.9359 41.9751 -1.84649 TIMING: 612200 CPU: 1908.27, 0.00309479/step Wall: 1908.27, 0.00309479/step, 3.77203 hours remaining, 236.816406 MB of memory in use. ENERGY: 612200 3994.9306 20646.5711 14464.4690 245.2825 -203485.3729 2928.6805 0.0000 0.0000 51813.0534 -109392.3859 297.7703 -161205.4393 -109040.3190 298.8810 -136.9204 -109.3221 763350.7228 8.1507 8.1658 LDB: ============= START OF LOAD BALANCING ============== 1920.74 LDB: ============== END OF LOAD BALANCING =============== 1920.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1920.74 LDB: ============= START OF LOAD BALANCING ============== 1921.05 LDB: Largest compute 7002 load 0.031363 is 16.1% of average load 0.194982 LDB: Average compute 0.004370 is 2.2% of average load 0.194982 LDB: TIME 1921.05 LOAD: AVG 0.194982 MAX 0.218174 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.727 MB LDB: TIME 1921.06 LOAD: AVG 0.194982 MAX 0.218174 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.727 MB LDB: TIME 1921.06 LOAD: AVG 0.194982 MAX 0.216762 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.727 MB LDB: ============== END OF LOAD BALANCING =============== 1921.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1921.06 PRESSURE: 612400 226.901 -65.9379 -78.2519 -65.9372 -229.024 -88.6041 -78.252 -88.605 238.113 GPRESSURE: 612400 278.787 -90.0082 -90.8876 -123.669 -186.294 -162.979 -184.718 -217.014 229.258 PRESSAVG: 612400 -28.6244 -24.69 -48.5435 -24.69 49.6846 0.232291 -48.5434 0.232295 -8.88631 GPRESSAVG: 612400 -28.0974 -26.0076 -48.7353 -25.2949 49.346 -0.683473 -43.6161 1.07286 -9.34252 TIMING: 612400 CPU: 1908.9, 0.00315215/step Wall: 1908.9, 0.00315215/step, 3.84177 hours remaining, 234.949219 MB of memory in use. ENERGY: 612400 3963.2491 20602.6840 14470.4638 244.5075 -203548.5280 2957.7215 0.0000 0.0000 51841.7879 -109468.1142 297.9355 -161309.9021 -109098.3719 298.3710 78.6634 107.2503 762803.2396 4.0580 3.9687 PRESSURE: 612600 -126.34 27.6743 -56.2739 27.6743 268.332 65.7896 -56.2732 65.7896 209.459 GPRESSURE: 612600 -75.2615 29.8557 -80.2972 61.9853 301.259 21.7217 -157.728 36.0554 214.281 PRESSAVG: 612600 30.4938 87.2242 9.00497 87.2242 26.0517 52.916 9.00496 52.9161 4.29912 GPRESSAVG: 612600 29.8338 85.4952 8.29262 86.8314 27.0973 53.7327 8.58613 52.4119 4.25076 TIMING: 612600 CPU: 1909.52, 0.00309912/step Wall: 1909.52, 0.00309912/step, 3.77696 hours remaining, 234.949219 MB of memory in use. ENERGY: 612600 3989.8777 20578.1934 14411.7024 233.6354 -203917.1936 3160.8710 0.0000 0.0000 52078.7497 -109464.1639 299.2973 -161542.9137 -109095.8806 298.5134 117.1504 146.7595 763707.2869 20.2815 20.3939 PRESSURE: 612800 -141.035 -100.497 -43.9168 -100.497 -80.7389 -0.014649 -43.9171 -0.0143161 -111.381 GPRESSURE: 612800 -52.067 -147.371 -133.292 -39.955 -32.5602 7.16783 -9.02804 86.7308 -150.319 PRESSAVG: 612800 -40.2603 -36.9388 34.4078 -36.9388 12.6774 17.9407 34.4078 17.9408 -4.66009 GPRESSAVG: 612800 -40.307 -36.1335 36.2975 -35.6608 12.9471 17.7691 34.0966 19.2705 -4.8674 TIMING: 612800 CPU: 1910.14, 0.00309812/step Wall: 1910.14, 0.00309812/step, 3.77557 hours remaining, 234.949219 MB of memory in use. ENERGY: 612800 4009.8304 20538.4378 14404.9137 251.2400 -203517.5182 3082.5929 0.0000 0.0000 51896.7183 -109333.7853 298.2512 -161230.5035 -108977.1595 298.5870 -111.0517 -78.3155 764419.8720 -10.7477 -10.7424 PRESSURE: 613000 16.5393 130.054 42.7254 130.054 -103.812 119.699 42.7247 119.7 62.2964 GPRESSURE: 613000 68.7515 82.291 46.656 106.114 -116.105 178.679 90.373 66.1475 91.3137 PRESSAVG: 613000 -21.5533 -18.3024 40.3509 -18.3024 2.17334 -22.0702 40.3509 -22.0702 -0.753219 GPRESSAVG: 613000 -20.2258 -20.0159 38.9395 -20.2073 0.67764 -23.284 39.9375 -23.4526 -0.4101 TIMING: 613000 CPU: 1910.76, 0.00310886/step Wall: 1910.76, 0.00310886/step, 3.78849 hours remaining, 234.949219 MB of memory in use. ENERGY: 613000 3965.8815 20693.6061 14396.9450 246.4206 -203073.6628 2607.0834 0.0000 0.0000 51994.3462 -109169.3799 298.8122 -161163.7262 -108802.8894 298.3093 -8.3254 14.6533 764005.1672 -6.7111 -6.6527 PRESSURE: 613200 117.887 -30.5361 29.383 -30.5369 -216.908 110.585 29.3828 110.585 -16.3719 GPRESSURE: 613200 139.544 7.97856 55.1533 -21.9177 -181.287 89.1847 91.3958 171.462 -2.28814 PRESSAVG: 613200 -12.0128 61.8404 15.0369 61.8405 -2.3029 -9.81192 15.0369 -9.81191 -5.50457 GPRESSAVG: 613200 -12.1845 64.0543 15.6421 61.747 -2.08723 -10.3493 13.3897 -7.882 -5.88648 TIMING: 613200 CPU: 1911.38, 0.00310097/step Wall: 1911.38, 0.00310097/step, 3.77871 hours remaining, 234.949219 MB of memory in use. ENERGY: 613200 3978.2044 20547.2650 14441.3863 253.4782 -202655.5148 2670.7921 0.0000 0.0000 51799.2121 -108965.1766 297.6908 -160764.3887 -108608.2099 299.2027 -38.4645 -14.6768 763817.4716 -6.6068 -6.7194 PRESSURE: 613400 -234.339 113.432 51.7192 113.431 -136.098 56.4166 51.7192 56.4181 -302.611 GPRESSURE: 613400 -306.578 166.84 -2.11146 -29.9407 -109.533 98.6271 16.9579 -66.8498 -170.228 PRESSAVG: 613400 3.6592 13.5506 -7.936 13.5506 7.60431 32.7906 -7.93601 32.7906 -12.4499 GPRESSAVG: 613400 2.40634 11.5212 -8.41078 14.1563 7.65579 35.5008 -4.89785 31.8305 -11.1184 TIMING: 613400 CPU: 1912, 0.00310206/step Wall: 1912, 0.00310206/step, 3.77986 hours remaining, 234.949219 MB of memory in use. ENERGY: 613400 3993.3802 20579.1175 14421.4601 266.5986 -203015.9294 2784.0334 0.0000 0.0000 52004.4246 -108966.9150 298.8701 -160971.3397 -108609.5328 299.2263 -224.3492 -195.4464 765045.7453 -0.3955 -0.3521 PRESSURE: 613600 143.864 -109.196 177.601 -109.196 -65.752 141.718 177.603 141.719 -96.2296 GPRESSURE: 613600 175.873 -139.523 250.692 -80.2339 -0.843268 128.857 186.555 17.7038 -100.49 PRESSAVG: 613600 36.0854 16.0874 -6.2162 16.0874 -45.0989 -0.177404 -6.21618 -0.177382 -0.147812 GPRESSAVG: 613600 36.8749 16.7555 -5.81156 15.5326 -45.5377 -0.126669 -6.86758 1.0008 -0.769797 TIMING: 613600 CPU: 1912.62, 0.0031007/step Wall: 1912.62, 0.0031007/step, 3.77804 hours remaining, 234.949219 MB of memory in use. ENERGY: 613600 4064.4442 20454.4512 14433.6598 249.4910 -203560.4453 3180.7341 0.0000 0.0000 52262.0014 -108915.6635 300.3504 -161177.6650 -108547.7250 299.2667 -6.0393 24.8467 763679.3483 -3.0538 -3.1442 PRESSURE: 613800 -138.324 3.55113 -409.132 3.55161 43.5087 50.3804 -409.132 50.3806 124.526 GPRESSURE: 613800 -134.735 -22.9731 -353.219 32.9341 44.0782 0.132289 -474.85 -3.41056 191.227 PRESSAVG: 613800 -1.25111 49.6472 -52.9295 49.6473 30.3639 -14.7069 -52.9296 -14.7069 -0.870076 GPRESSAVG: 613800 -1.88773 47.1474 -54.0212 49.2545 30.8771 -15.3236 -54.8899 -15.0882 -0.456878 TIMING: 613800 CPU: 1913.24, 0.00309535/step Wall: 1913.24, 0.00309535/step, 3.77134 hours remaining, 234.949219 MB of memory in use. ENERGY: 613800 3980.4334 20714.8638 14409.9532 260.1936 -203032.0421 2700.9739 0.0000 0.0000 52165.5928 -108800.0314 299.7964 -160965.6242 -108440.3002 299.6438 9.9037 33.5237 763392.7038 9.4142 9.5108 PRESSURE: 614000 -53.2847 -20.4148 18.1856 -20.4148 148.974 29.2561 18.1852 29.2578 -1.18195 GPRESSURE: 614000 -36.6028 -55.618 -12.5966 6.66237 201.741 -100.44 -34.8054 80.6586 36.0587 PRESSAVG: 614000 32.85 1.4192 -6.46446 1.41925 -83.9376 -62.0109 -6.46445 -62.011 -0.61173 GPRESSAVG: 614000 33.9139 2.95823 -7.37517 1.64404 -84.6998 -62.4916 -5.75714 -62.1652 -1.28172 TIMING: 614000 CPU: 1913.86, 0.00310966/step Wall: 1913.86, 0.00310966/step, 3.7886 hours remaining, 234.949219 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: 614000 3995.0863 20594.8870 14351.3557 239.7841 -202896.4306 2743.9667 0.0000 0.0000 51964.6934 -109006.6575 298.6418 -160971.3509 -108635.3426 299.3727 31.5025 67.0656 763810.2083 -17.2331 -17.3559 PRESSURE: 614200 63.1531 -270.954 -132.072 -270.953 205.818 -83.983 -132.071 -83.9828 93.0147 GPRESSURE: 614200 99.4041 -275.091 -128.328 -147.554 224.086 -112.877 -112.339 75.8845 131.107 PRESSAVG: 614200 26.5408 36.4769 -40.5997 36.4769 -42.7735 -41.1529 -40.5996 -41.1528 -6.37453 GPRESSAVG: 614200 26.1032 38.2578 -39.3055 34.4848 -41.4465 -39.3382 -38.7586 -40.0311 -7.05158 TIMING: 614200 CPU: 1914.48, 0.00310152/step Wall: 1914.48, 0.00310152/step, 3.77851 hours remaining, 234.949219 MB of memory in use. ENERGY: 614200 3973.9597 20612.5225 14367.5136 250.4038 -202853.9148 2661.6808 0.0000 0.0000 52099.8901 -108887.9444 299.4188 -160987.8344 -108521.5926 299.0675 120.6620 151.5321 764327.1662 -7.5357 -7.4650 PRESSURE: 614400 89.6534 -255.432 126.182 -255.431 44.7638 -99.5944 126.182 -99.5955 93.073 GPRESSURE: 614400 106.458 -274.593 120.017 -151.27 44.2031 -83.436 8.34906 -45.3999 161.962 PRESSAVG: 614400 -1.13562 16.4279 -2.82472 16.4279 -0.653345 -29.4035 -2.82472 -29.4036 -6.67821 GPRESSAVG: 614400 -1.16429 14.5261 -1.63438 18.2399 -1.36069 -32.0927 -5.50948 -29.756 -5.86755 TIMING: 614400 CPU: 1915.1, 0.00309689/step Wall: 1915.1, 0.00309689/step, 3.7727 hours remaining, 234.949219 MB of memory in use. ENERGY: 614400 4015.6838 20555.7420 14381.5283 256.9452 -203233.8878 3115.1154 0.0000 0.0000 52003.4653 -108905.4079 298.8646 -160908.8732 -108548.6831 299.2690 75.8300 104.2075 762889.1372 -2.8224 -2.7975 PRESSURE: 614600 250.308 -33.1116 81.8485 -33.1122 315.266 -30.4315 81.8472 -30.4319 155.871 GPRESSURE: 614600 261.738 98.1294 20.4949 -82.2102 380.524 -32.5866 224.268 -29.3027 163.346 PRESSAVG: 614600 28.0164 -51.4607 -19.2867 -51.4607 -19.2173 -57.2512 -19.2867 -57.2511 8.71035 GPRESSAVG: 614600 26.9702 -49.9181 -22.327 -53.2124 -18.1378 -54.613 -18.3028 -57.1462 8.29986 TIMING: 614600 CPU: 1915.72, 0.00308616/step Wall: 1915.72, 0.00308616/step, 3.75946 hours remaining, 234.949219 MB of memory in use. ENERGY: 614600 3968.1605 20573.1749 14377.6037 243.8867 -203408.7077 3279.0535 0.0000 0.0000 52211.8738 -108754.9547 300.0624 -160966.8285 -108385.3750 299.5380 240.4819 268.5360 764611.4964 5.8365 5.7107 PRESSURE: 614800 181.803 92.725 118.024 92.7251 -44.2099 146.829 118.024 146.828 -71.2959 GPRESSURE: 614800 215.893 76.8553 98.5352 130.188 -41.8611 212.442 182.625 109.527 -38.4191 PRESSAVG: 614800 0.737205 27.3025 3.21571 27.3024 -22.2084 -28.3324 3.2157 -28.3323 -5.43542 GPRESSAVG: 614800 2.52876 27.0201 4.8462 28.1784 -23.6498 -30.2737 3.61156 -28.9041 -5.88647 TIMING: 614800 CPU: 1916.34, 0.00309635/step Wall: 1916.34, 0.00309635/step, 3.7717 hours remaining, 234.949219 MB of memory in use. ENERGY: 614800 4135.3582 20573.5923 14454.0073 248.5750 -203941.4813 3293.1462 0.0000 0.0000 52251.6759 -108985.1263 300.2911 -161236.8023 -108617.7473 299.4354 22.0990 45.2044 762273.4529 -8.9689 -9.0025 PRESSURE: 615000 -86.3384 -37.1514 -106.035 -37.1515 259.549 -141.265 -106.035 -141.265 -128.927 GPRESSURE: 615000 -23.4018 4.46414 -89.3699 -92.5119 296.403 -188.63 -146.456 -97.5998 -141.26 PRESSAVG: 615000 45.1404 -6.20287 -28.7292 -6.20282 -30.0302 -49.3699 -28.7293 -49.3699 15.0191 GPRESSAVG: 615000 43.8974 -7.23639 -28.5503 -6.84624 -29.5556 -48.2512 -28.0405 -50.3438 15.8289 TIMING: 615000 CPU: 1916.96, 0.00310459/step Wall: 1916.96, 0.00310459/step, 3.78156 hours remaining, 234.949219 MB of memory in use. ENERGY: 615000 3934.5368 20737.2391 14361.2545 260.3378 -203177.4892 2802.7562 0.0000 0.0000 52216.6136 -108864.7513 300.0896 -161081.3649 -108507.2601 299.8796 14.7612 43.9135 763631.8048 10.0431 10.0569 PRESSURE: 615200 49.4449 233.539 -204.485 233.539 -119.683 -121.155 -204.484 -121.154 -63.2243 GPRESSURE: 615200 86.7087 167.703 -106.875 230.728 -92.1853 -224.571 -186.288 -81.7587 -49.5239 PRESSAVG: 615200 -26.0957 -8.02249 -10.1969 -8.02255 33.4179 -54.1179 -10.1969 -54.1179 -5.97749 GPRESSAVG: 615200 -26.807 -7.0588 -9.59309 -6.62365 34.8026 -55.3858 -13.3595 -52.54 -6.47359 TIMING: 615200 CPU: 1917.58, 0.00309835/step Wall: 1917.58, 0.00309835/step, 3.77379 hours remaining, 234.949219 MB of memory in use. ENERGY: 615200 3953.0400 20799.9542 14400.0456 253.4468 -202910.9257 2814.7079 0.0000 0.0000 51903.5495 -108786.1818 298.2904 -160689.7313 -108421.4482 299.9646 -44.4875 -18.3335 763561.0743 0.4483 0.5073 PRESSURE: 615400 -98.6012 46.3282 -99.3198 46.3294 -153.538 -141.844 -99.3193 -141.844 292.761 GPRESSURE: 615400 -118.037 -18.2777 -60.22 164.731 -93.9946 -123.671 -40.0499 -123.078 349.689 PRESSAVG: 615400 48.976 88.9096 -6.59958 88.9097 -6.13888 -86.7411 -6.59959 -86.7411 -21.1378 GPRESSAVG: 615400 50.6679 87.8374 -5.73559 89.3713 -6.87999 -86.7861 -5.58892 -86.7774 -21.4436 TIMING: 615400 CPU: 1918.2, 0.00310194/step Wall: 1918.2, 0.00310194/step, 3.77799 hours remaining, 234.949219 MB of memory in use. ENERGY: 615400 3925.4600 20528.7016 14384.4035 257.1917 -202368.0572 2440.4015 0.0000 0.0000 51978.0417 -108853.8571 298.7185 -160831.8989 -108493.7504 299.8545 13.5404 45.8856 764644.2202 7.2331 7.4481 PRESSURE: 615600 328.436 8.59501 106.965 8.59516 53.2157 163.598 106.965 163.597 -276.749 GPRESSURE: 615600 413.433 82.5731 3.92813 18.4064 -7.76538 135.1 129.513 124.483 -219.449 PRESSAVG: 615600 36.3606 4.27008 21.0988 4.27011 -13.361 -17.4709 21.0988 -17.4709 -1.4777 GPRESSAVG: 615600 36.409 4.28281 19.4518 3.37785 -13.6102 -17.5703 23.0249 -17.9521 -1.25326 TIMING: 615600 CPU: 1918.82, 0.00309724/step Wall: 1918.82, 0.00309724/step, 3.77209 hours remaining, 234.949219 MB of memory in use. ENERGY: 615600 3976.9871 20395.7970 14369.5348 241.6478 -202961.4471 2932.6443 0.0000 0.0000 52231.3532 -108813.4829 300.1743 -161044.8361 -108447.6923 299.7132 34.9673 62.0729 765131.3759 7.1740 7.1818 PRESSURE: 615800 -394.246 -24.7204 217.939 -24.7202 -199.855 77.0137 217.939 77.0136 -196.537 GPRESSURE: 615800 -297.061 1.13503 204.13 -69.4865 -151.757 69.3356 74.3063 75.1833 -254.644 PRESSAVG: 615800 0.805121 28 -0.944653 28.0001 -61.4523 6.3249 -0.94469 6.325 -5.45781 GPRESSAVG: 615800 0.617024 26.8409 -0.369635 27.5046 -61.4615 5.52611 -1.91898 7.83335 -5.23615 TIMING: 615800 CPU: 1919.44, 0.00309789/step Wall: 1919.44, 0.00309789/step, 3.77271 hours remaining, 234.949219 MB of memory in use. ENERGY: 615800 4017.3114 20505.7382 14432.9079 264.1508 -202466.2940 2428.3543 0.0000 0.0000 52188.4861 -108629.3453 299.9279 -160817.8314 -108254.0171 299.7680 -263.5461 -234.4871 766082.4557 -22.0350 -22.0269 PRESSURE: 616000 -126.01 194.944 233.996 194.944 -188.257 218.906 233.996 218.906 141.239 GPRESSURE: 616000 -55.5812 95.9825 285.874 81.0953 -197.376 213.296 91.5345 186.625 153.4 PRESSAVG: 616000 29.4455 4.35922 7.68112 4.35926 -31.8509 -23.6268 7.68115 -23.6268 -1.31146 GPRESSAVG: 616000 29.0972 5.79572 6.42695 4.75181 -32.7707 -21.3909 7.72885 -26.7133 -0.0655384 TIMING: 616000 CPU: 1920.05, 0.00309521/step Wall: 1920.05, 0.00309521/step, 3.76928 hours remaining, 234.949219 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: 616000 3853.2715 20543.4838 14402.2803 264.7979 -202934.9494 2759.4332 0.0000 0.0000 52154.1250 -108957.5577 299.7305 -161111.6827 -108588.3128 299.5008 -57.6762 -33.1858 764742.6515 -1.2390 -1.2464 PRESSURE: 616200 396.726 -13.7405 -72.6204 -13.7418 172.439 15.8032 -72.621 15.8038 -202.68 GPRESSURE: 616200 463.412 -109.887 -58.556 -26.9167 168.179 -41.9422 -25.9852 69.7286 -177.797 PRESSAVG: 616200 45.6255 -12.3837 -13.7286 -12.3837 -72.7398 -31.5998 -13.7286 -31.5998 34.1455 GPRESSAVG: 616200 45.5853 -11.192 -11.6824 -13.2638 -71.8666 -32.5789 -14.7302 -28.1627 33.2801 TIMING: 616200 CPU: 1920.68, 0.00311076/step Wall: 1920.68, 0.00311076/step, 3.78804 hours remaining, 234.949219 MB of memory in use. ENERGY: 616200 4015.4580 20573.1430 14417.1777 249.3231 -203101.7601 2904.9515 0.0000 0.0000 52072.6713 -108869.0357 299.2624 -160941.7069 -108503.9561 299.2861 122.1617 151.2649 763843.0906 2.3437 2.3329 LDB: ============= START OF LOAD BALANCING ============== 1933.15 LDB: ============== END OF LOAD BALANCING =============== 1933.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1933.16 LDB: ============= START OF LOAD BALANCING ============== 1933.47 LDB: Largest compute 7052 load 0.030856 is 15.8% of average load 0.195033 LDB: Average compute 0.004377 is 2.2% of average load 0.195033 LDB: TIME 1933.47 LOAD: AVG 0.195033 MAX 0.215837 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.816 MB LDB: TIME 1933.47 LOAD: AVG 0.195033 MAX 0.215837 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.816 MB LDB: TIME 1933.47 LOAD: AVG 0.195033 MAX 0.215837 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.816 MB LDB: ============== END OF LOAD BALANCING =============== 1933.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1933.48 PRESSURE: 616400 19.7229 -88.6208 -149.519 -88.6203 152.9 115.756 -149.519 115.756 323.563 GPRESSURE: 616400 138.849 -86.4862 -170.563 -60.9948 227.73 117.214 -153.767 115.304 214.515 PRESSAVG: 616400 15.4682 -33.0002 -2.87877 -33.0002 44.1626 -11.5778 -2.87876 -11.5778 26.7137 GPRESSAVG: 616400 14.6701 -35.6552 -3.55537 -30.5652 44.6578 -11.1532 -2.15593 -14.1248 26.8903 TIMING: 616400 CPU: 1921.31, 0.00317946/step Wall: 1921.31, 0.00317946/step, 3.87153 hours remaining, 234.238281 MB of memory in use. ENERGY: 616400 3995.3876 20460.8583 14464.7176 240.0890 -203154.1230 2837.9280 0.0000 0.0000 52073.0241 -109082.1184 299.2644 -161155.1425 -108717.4426 299.3618 165.3952 193.6976 763493.3521 28.7815 28.7394 PRESSURE: 616600 -114.158 229.263 13.9266 229.264 -291.091 87.5224 13.9264 87.5224 376.01 GPRESSURE: 616600 -34.858 253.975 -50.1366 109.064 -209.174 85.0962 53.6518 36.856 298.293 PRESSAVG: 616600 81.6871 -2.90239 -7.90747 -2.90243 -55.6149 -16.1748 -7.90753 -16.1748 11.6897 GPRESSAVG: 616600 82.9747 -3.63694 -9.36549 -4.6077 -56.2897 -17.0051 -5.20156 -16.9055 10.8977 TIMING: 616600 CPU: 1921.93, 0.00310412/step Wall: 1921.93, 0.00310412/step, 3.77962 hours remaining, 234.238281 MB of memory in use. ENERGY: 616600 3929.3018 20645.4784 14467.3577 221.6388 -202878.3214 2570.7917 0.0000 0.0000 51970.2252 -109073.5276 298.6736 -161043.7529 -108702.7442 298.9845 -9.7463 18.0868 762870.6997 12.5873 12.5276 PRESSURE: 616800 281.497 19.5948 278.495 19.5949 52.8902 -173.582 278.495 -173.582 206.07 GPRESSURE: 616800 265.99 -94.622 320.918 -2.98165 76.4941 -120.005 141.929 -61.1386 276.652 PRESSAVG: 616800 17.8015 16.8684 -0.777595 16.8683 -41.6821 -18.2263 -0.777551 -18.2262 12.3771 GPRESSAVG: 616800 16.9036 19.6756 0.0854316 15.326 -41.1333 -19.2815 -2.81993 -16.8659 12.3685 TIMING: 616800 CPU: 1922.56, 0.00310816/step Wall: 1922.56, 0.00310816/step, 3.78436 hours remaining, 234.238281 MB of memory in use. ENERGY: 616800 4011.7898 20503.2387 14430.5055 261.7991 -203374.7662 2976.4345 0.0000 0.0000 52120.6000 -109070.3984 299.5378 -161190.9984 -108702.5031 299.0914 180.1524 206.3788 763662.7636 -3.8345 -3.9537 PRESSURE: 617000 110.77 -38.9233 -70.9583 -38.9227 -103.781 -193.232 -70.9586 -193.232 231.98 GPRESSURE: 617000 96.5607 4.67312 -76.7569 -23.6297 -10.7111 -169.471 -156.512 -79.091 208.838 PRESSAVG: 617000 -19.4921 2.96275 17.4488 2.96278 7.65631 59.0606 17.4488 59.0607 15.3879 GPRESSAVG: 617000 -18.5852 2.83208 18.6448 5.08832 7.21457 60.5701 16.4614 59.2343 14.6077 TIMING: 617000 CPU: 1923.18, 0.0031025/step Wall: 1923.18, 0.0031025/step, 3.77729 hours remaining, 234.238281 MB of memory in use. ENERGY: 617000 3933.1348 20566.2674 14435.3546 249.3253 -203096.7605 2901.2567 0.0000 0.0000 52181.3936 -108830.0282 299.8872 -161011.4218 -108472.6185 299.6897 79.6562 98.2291 763853.9418 1.1840 1.0790 PRESSURE: 617200 265.214 -66.2798 3.98631 -66.2799 118.449 143.214 3.98613 143.214 -331.866 GPRESSURE: 617200 245.868 95.7832 49.1163 -96.3035 132.523 68.987 3.95898 130.91 -244.705 PRESSAVG: 617200 51.4167 -2.35394 -27.7987 -2.35404 -65.5088 0.342045 -27.7988 0.341988 7.82535 GPRESSAVG: 617200 50.4188 -3.62177 -28.819 -3.06218 -65.4602 -0.48217 -28.4613 1.42287 8.45361 TIMING: 617200 CPU: 1923.79, 0.00309469/step Wall: 1923.79, 0.00309469/step, 3.76762 hours remaining, 234.238281 MB of memory in use. ENERGY: 617200 3954.3105 20495.8236 14396.9476 255.8166 -202959.7577 2896.8897 0.0000 0.0000 52027.5963 -108932.3733 299.0033 -160959.9696 -108570.8992 299.9999 17.2658 44.5620 764004.5599 -2.0889 -2.1959 PRESSURE: 617400 -27.2751 186.37 11.5814 186.37 104.71 169.2 11.5807 169.2 63.7163 GPRESSURE: 617400 61.6845 77.8206 76.1571 166.957 59.4759 135.157 16.5475 182.992 115.879 PRESSAVG: 617400 22.5187 -0.303582 -44.5734 -0.30361 -30.6493 -2.45541 -44.5734 -2.4553 39.7308 GPRESSAVG: 617400 23.1053 -0.00717625 -43.2435 -0.0996946 -31.011 -2.30804 -43.971 -4.4859 40.1589 TIMING: 617400 CPU: 1924.41, 0.00309674/step Wall: 1924.41, 0.00309674/step, 3.76994 hours remaining, 234.238281 MB of memory in use. ENERGY: 617400 3990.4009 20731.3152 14399.8059 251.4921 -202688.7250 2436.6141 0.0000 0.0000 51923.2495 -108955.8473 298.4036 -160879.0968 -108598.5025 299.6592 47.0506 79.0131 763139.4437 10.5334 10.7511 PRESSURE: 617600 -197.987 -102.035 -47.1993 -102.035 -267.763 -123.267 -47.1998 -123.267 53.8703 GPRESSURE: 617600 -165.708 -71.1141 22.732 -177.2 -156.712 -141.803 -13.8416 -166.137 -7.97318 PRESSAVG: 617600 10.939 -1.60003 15.8694 -1.60001 -13.2649 22.8878 15.8693 22.8878 7.37892 GPRESSAVG: 617600 11.7621 -2.12415 14.9533 -2.84531 -12.8886 22.3702 15.9307 21.7937 6.21389 TIMING: 617600 CPU: 1925.03, 0.00310356/step Wall: 1925.03, 0.00310356/step, 3.77807 hours remaining, 234.238281 MB of memory in use. ENERGY: 617600 4076.2406 20590.0095 14384.4811 250.0958 -202937.3132 2573.2914 0.0000 0.0000 52139.3045 -108923.8904 299.6453 -161063.1948 -108557.1267 299.3121 -137.2933 -110.1311 764254.1510 1.6843 1.6958 PRESSURE: 617800 -161.611 28.9366 -108.604 28.9368 -232.53 113.692 -108.603 113.693 -36.6475 GPRESSURE: 617800 -50.4757 -12.5273 -77.4176 108.77 -280.586 -42.4436 -1.44228 251.19 -2.22095 PRESSAVG: 617800 69.1331 7.49844 21.3324 7.49845 -56.9238 -4.16773 21.3324 -4.16774 13.6532 GPRESSAVG: 617800 69.7414 7.4414 20.6595 8.51094 -58.3666 -4.55914 22.8223 -2.38502 14.9456 TIMING: 617800 CPU: 1925.66, 0.00311647/step Wall: 1925.66, 0.00311647/step, 3.79361 hours remaining, 234.238281 MB of memory in use. ENERGY: 617800 4034.4392 20579.9634 14438.6942 253.6879 -203055.2354 2513.5585 0.0000 0.0000 52167.4816 -109067.4107 299.8072 -161234.8923 -108709.9291 299.1530 -143.5962 -111.0941 763659.2992 8.6209 8.7735 PRESSURE: 618000 33.2214 -25.814 52.4221 -25.814 -36.1624 -74.1184 52.4217 -74.119 -62.373 GPRESSURE: 618000 36.9156 40.352 50.3672 -151.525 64.9163 -129.421 -81.6059 -78.4862 -70.7354 PRESSAVG: 618000 -13.5388 4.69814 -21.2359 4.69814 70.8019 18.7074 -21.2359 18.7072 -0.483196 GPRESSAVG: 618000 -17.1173 4.87097 -21.8825 5.05148 73.1558 20.4091 -21.1317 16.2553 0.459498 TIMING: 618000 CPU: 1926.28, 0.00311203/step Wall: 1926.28, 0.00311203/step, 3.78803 hours remaining, 234.238281 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: 618000 4008.2418 20588.9260 14424.7652 251.8633 -202930.5015 2688.3837 0.0000 0.0000 51847.0699 -109121.2516 297.9658 -160968.3215 -108772.7558 299.1342 -21.7713 10.3655 762481.6906 18.9267 18.8327 PRESSURE: 618200 -312.318 -91.669 134.485 -91.6688 -412.808 224.761 134.484 224.76 -417.4 GPRESSURE: 618200 -149.642 -117.947 25.5921 22.332 -449.53 109.75 208.437 296.195 -460.949 PRESSAVG: 618200 -16.9353 -4.92538 -15.5853 -4.92534 11.3142 12.9893 -15.5853 12.9893 -4.72418 GPRESSAVG: 618200 -14.3964 -4.2225 -14.4193 -6.27859 9.11283 10.8656 -16.4119 16.2018 -4.73656 TIMING: 618200 CPU: 1926.9, 0.00310241/step Wall: 1926.9, 0.00310242/step, 3.77616 hours remaining, 234.238281 MB of memory in use. ENERGY: 618200 4009.6061 20670.5033 14478.9184 252.5424 -202907.2187 2511.3006 0.0000 0.0000 51911.5792 -109072.7687 298.3366 -160984.3479 -108722.5439 298.8209 -380.8421 -353.3738 763707.3181 -3.4484 -3.3400 PRESSURE: 618400 227.755 -52.3494 -54.4621 -52.3482 -107.737 50.1651 -54.4622 50.1658 -328.875 GPRESSURE: 618400 204.12 -111.949 -126.14 -176.205 -68.8647 114.593 -117.563 133.251 -257.08 PRESSAVG: 618400 -12.5393 -37.036 -19.6411 -37.0361 36.0074 2.66336 -19.6411 2.66345 -2.40621 GPRESSAVG: 618400 -12.25 -36.6637 -20.1817 -35.85 37.7439 3.88817 -19.7265 1.40451 -3.80514 TIMING: 618400 CPU: 1927.52, 0.00307568/step Wall: 1927.52, 0.00307568/step, 3.74345 hours remaining, 234.238281 MB of memory in use. ENERGY: 618400 3911.2823 20704.6642 14414.0821 239.2125 -203403.7475 2875.6472 0.0000 0.0000 52118.4011 -109140.4581 299.5252 -161258.8592 -108770.3818 299.1196 -69.6191 -40.6083 762788.5880 7.0206 7.2296 PRESSURE: 618600 -143.956 228.145 -51.7883 228.146 50.8375 305.101 -51.7869 305.102 -165.896 GPRESSURE: 618600 -91.5481 220.271 -64.9865 226.486 92.1464 301.997 -93.4774 176.027 -174.269 PRESSAVG: 618600 1.47356 -19.5477 19.239 -19.5477 19.6215 41.0041 19.2391 41.0041 -3.10601 GPRESSAVG: 618600 -0.217047 -19.4021 19.667 -19.7888 18.3113 41.2195 17.1142 41.5542 -0.600971 TIMING: 618600 CPU: 1928.13, 0.00309402/step Wall: 1928.13, 0.00309402/step, 3.76559 hours remaining, 234.238281 MB of memory in use. ENERGY: 618600 4002.9685 20546.4596 14488.9817 237.0006 -203525.0767 2925.5581 0.0000 0.0000 52407.1823 -108916.9260 301.1848 -161324.1082 -108545.1132 299.4562 -86.3382 -57.8904 763128.3650 5.9964 5.8311 PRESSURE: 618800 -231.348 -47.6154 198.148 -47.6151 -429.37 -79.5914 198.148 -79.5907 -197.892 GPRESSURE: 618800 -277.495 63.0998 215.066 26.6614 -365.565 -48.0209 195.53 -60.3446 -124.028 PRESSAVG: 618800 -35.2486 14.3827 16.9281 14.3826 11.1432 28.8507 16.9281 28.8507 2.046 GPRESSAVG: 618800 -35.3362 12.8892 17.0155 15.0501 13.2496 27.7688 19.0196 27.7783 0.173477 TIMING: 618800 CPU: 1928.75, 0.00309796/step Wall: 1928.75, 0.00309796/step, 3.77021 hours remaining, 234.238281 MB of memory in use. ENERGY: 618800 4054.2609 20526.1391 14411.8898 249.8183 -203544.0648 2998.6340 0.0000 0.0000 52376.2799 -108927.0427 301.0072 -161303.3226 -108554.9848 299.8379 -286.2032 -255.6960 763743.2255 -7.3531 -7.3044 PRESSURE: 619000 255.171 71.9239 273.829 71.9242 -325.832 -145.371 273.829 -145.372 -209.032 GPRESSURE: 619000 256.333 132.861 190.243 143.556 -289.582 -139.938 318.783 -79.8169 -174.605 PRESSAVG: 619000 -17.4982 -18.635 0.604259 -18.635 39.0036 36.9111 0.60426 36.911 30.423 GPRESSAVG: 619000 -16.1286 -17.487 -0.71339 -19.7587 36.9692 38.3075 2.03495 37.7795 30.949 TIMING: 619000 CPU: 1929.37, 0.00309395/step Wall: 1929.37, 0.00309395/step, 3.76516 hours remaining, 234.238281 MB of memory in use. ENERGY: 619000 4011.0309 20641.3231 14403.8515 252.7353 -202678.5666 2734.1203 0.0000 0.0000 51888.8037 -108746.7018 298.2057 -160635.5055 -108386.2994 299.5199 -93.2308 -69.2846 762778.6485 17.3095 17.2632 PRESSURE: 619200 -135.25 -104.112 -287.241 -104.111 -383.653 109.026 -287.24 109.027 62.2516 GPRESSURE: 619200 -113.726 -202.529 -288.625 18.9968 -292.157 -18.1021 -227.075 89.4856 52.7288 PRESSAVG: 619200 13.6148 4.53494 -47.342 4.53499 -21.7736 28.1339 -47.342 28.1339 -3.15046 GPRESSAVG: 619200 13.2931 3.74577 -46.4017 4.26702 -21.2064 26.7741 -48.3484 28.7601 -3.06373 TIMING: 619200 CPU: 1929.99, 0.00309457/step Wall: 1929.99, 0.00309457/step, 3.76575 hours remaining, 234.238281 MB of memory in use. ENERGY: 619200 3990.2152 20376.9022 14455.2135 262.0484 -202596.7871 2515.8635 0.0000 0.0000 52105.5069 -108891.0374 299.4511 -160996.5443 -108516.9297 299.3339 -152.2172 -117.7182 764512.2121 -3.7697 -3.6590 PRESSURE: 619400 21.1523 101.515 -183.138 101.515 2.48237 -106.236 -183.138 -106.236 -9.02108 GPRESSURE: 619400 133.399 17.0409 -229.631 153.501 -8.72179 -153.406 -146.711 -23.3567 -15.6312 PRESSAVG: 619400 41.0635 -14.1875 -14.8246 -14.1874 -70.5866 14.482 -14.8246 14.482 38.8633 GPRESSAVG: 619400 41.834 -13.1953 -14.2779 -14.4507 -71.2516 17.4436 -20.1511 12.371 38.5755 TIMING: 619400 CPU: 1930.61, 0.00309243/step Wall: 1930.61, 0.00309243/step, 3.76297 hours remaining, 234.238281 MB of memory in use. ENERGY: 619400 4001.8904 20603.7543 14446.6014 265.4594 -203093.6006 2729.2372 0.0000 0.0000 52016.5156 -109030.1423 298.9396 -161046.6578 -108674.7820 299.2402 4.8712 36.3487 763197.0012 3.1134 3.0526 PRESSURE: 619600 -191.534 -80.4164 -174.246 -80.4165 1.91723 74.1415 -174.246 74.1429 164.958 GPRESSURE: 619600 -269.374 -74.1307 -148.28 -4.97742 105.663 -33.7325 -145.494 -42.9042 203.528 PRESSAVG: 619600 28.6915 -12.3701 -2.0277 -12.37 -30.5971 16.3511 -2.02775 16.3511 -7.8369 GPRESSAVG: 619600 27.0423 -14.3683 -3.26172 -11.5856 -29.7742 14.9707 3.23269 16.7918 -7.14621 TIMING: 619600 CPU: 1931.23, 0.00309647/step Wall: 1931.23, 0.00309647/step, 3.76772 hours remaining, 234.238281 MB of memory in use. ENERGY: 619600 4037.8881 20545.1927 14435.4007 250.4692 -203020.0820 2611.9286 0.0000 0.0000 52073.7619 -109065.4407 299.2686 -161139.2027 -108709.0164 299.2161 -8.2197 13.2726 764026.7700 -3.2475 -3.2927 PRESSURE: 619800 -208.159 207.123 102.851 207.123 -471.608 -132.88 102.851 -132.88 -171.159 GPRESSURE: 619800 -217.994 160.702 -36.2294 251.511 -336.18 -76.8654 108.852 -24.9511 -230.301 PRESSAVG: 619800 7.46704 -35.8734 7.28915 -35.8734 -20.2084 -27.8906 7.28913 -27.8904 -15.3021 GPRESSAVG: 619800 7.88544 -34.3518 8.07534 -36.4886 -20.7017 -27.5801 7.52913 -25.5469 -15.2268 TIMING: 619800 CPU: 1931.85, 0.00309308/step Wall: 1931.85, 0.00309308/step, 3.76342 hours remaining, 234.238281 MB of memory in use. ENERGY: 619800 4043.4316 20714.7127 14415.7570 258.6588 -203127.9804 2427.6221 0.0000 0.0000 52335.0817 -108932.7164 300.7704 -161267.7982 -108569.2485 299.6671 -283.6424 -261.4918 762377.4668 -9.3478 -9.3477 PRESSURE: 620000 -181.811 -269.457 97.6211 -269.457 -167.047 172.93 97.6212 172.93 -287.977 GPRESSURE: 620000 -87.0962 -35.608 10.9923 -268.241 -204.979 114.34 -22.1639 224.032 -262.407 PRESSAVG: 620000 -22.0596 6.30625 -14.7029 6.3063 8.97695 -13.8408 -14.7029 -13.8408 7.43533 GPRESSAVG: 620000 -20.614 5.94437 -15.3626 5.81685 9.45277 -13.8223 -18.2862 -15.3865 5.80568 TIMING: 620000 CPU: 1932.47, 0.00309349/step Wall: 1932.47, 0.00309349/step, 3.76375 hours remaining, 234.238281 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: 620000 4009.7792 20789.1799 14554.4748 230.5490 -203289.2756 2764.8882 0.0000 0.0000 52203.1194 -108737.2850 300.0120 -160940.4044 -108371.8745 299.8725 -212.2782 -184.8274 762671.2485 -1.8824 -1.7852 PRESSURE: 620200 -25.4052 -38.7649 -80.7564 -38.7653 -171.013 -36.2832 -80.756 -36.2832 -177.811 GPRESSURE: 620200 -15.8105 -67.6233 -45.7936 -18.5246 -129.295 -85.0721 8.67596 139.253 -141.178 PRESSAVG: 620200 -10.9304 32.9385 -5.31825 32.9385 16.0128 30.767 -5.31825 30.7671 -0.480919 GPRESSAVG: 620200 -11.0178 32.3447 -4.69405 34.0628 14.9848 30.3789 -3.79296 30.4658 0.274618 TIMING: 620200 CPU: 1933.09, 0.00308977/step Wall: 1933.09, 0.00308977/step, 3.75904 hours remaining, 234.238281 MB of memory in use. ENERGY: 620200 3976.2051 20524.5466 14548.3084 263.9995 -202985.0909 2689.9949 0.0000 0.0000 52254.8798 -108727.1567 300.3095 -160982.0365 -108355.8624 300.3823 -124.7430 -95.4281 762767.3008 1.5339 1.4139 LDB: ============= START OF LOAD BALANCING ============== 1945.56 LDB: ============== END OF LOAD BALANCING =============== 1945.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1945.56 LDB: ============= START OF LOAD BALANCING ============== 1945.87 LDB: Largest compute 7002 load 0.029495 is 15.1% of average load 0.194948 LDB: Average compute 0.004382 is 2.2% of average load 0.194948 LDB: TIME 1945.88 LOAD: AVG 0.194948 MAX 0.214751 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.949 MB LDB: TIME 1945.88 LOAD: AVG 0.194948 MAX 0.214751 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.988 MB LDB: TIME 1945.88 LOAD: AVG 0.194948 MAX 0.214751 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.988 MB LDB: ============== END OF LOAD BALANCING =============== 1945.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1945.88 PRESSURE: 620400 -103.236 -92.8836 29.9542 -92.8828 -106.092 -32.0541 29.9534 -32.0536 -314.691 GPRESSURE: 620400 -51.8078 -148.731 129.839 -125.658 -129.218 8.0172 61.2179 29.7277 -273.522 PRESSAVG: 620400 -17.767 2.28246 -9.0924 2.2825 6.06668 -40.1243 -9.09243 -40.1242 7.54045 GPRESSAVG: 620400 -18.0465 1.3455 -8.86783 2.21518 6.55506 -38.5875 -7.01858 -38.1224 7.38025 TIMING: 620400 CPU: 1933.72, 0.00316054/step Wall: 1933.72, 0.00316054/step, 3.84498 hours remaining, 234.816406 MB of memory in use. ENERGY: 620400 4006.4135 20581.2904 14470.8478 252.9659 -203179.1054 2756.3032 0.0000 0.0000 52340.5011 -108770.7836 300.8016 -161111.2847 -108400.4903 300.2769 -174.6732 -151.5159 763956.1058 -1.3866 -1.3704 PRESSURE: 620600 169.977 -180.229 36.589 -180.23 -19.5624 75.5931 36.5893 75.5937 367.125 GPRESSURE: 620600 260.656 -111.335 39.9935 -159.497 -38.4697 -48.199 98.3371 96.8159 375.658 PRESSAVG: 620600 -9.52933 38.6582 -25.3313 38.6582 8.36676 -20.8659 -25.3313 -20.8658 -12.2959 GPRESSAVG: 620600 -8.40902 40.855 -26.2915 38.5552 8.26961 -23.2048 -25.479 -21.8406 -12.4782 TIMING: 620600 CPU: 1934.34, 0.00309674/step Wall: 1934.34, 0.00309674/step, 3.76719 hours remaining, 235.019531 MB of memory in use. ENERGY: 620600 4049.4085 20635.3410 14485.6648 263.1743 -202813.8880 2572.6214 0.0000 0.0000 52063.1956 -108744.4824 299.2079 -160807.6780 -108387.4535 299.4894 172.5135 199.2811 762812.2843 -4.4862 -4.2059 PRESSURE: 620800 -69.0927 120.58 -293.217 120.58 276.587 -326.449 -293.217 -326.45 -139.108 GPRESSURE: 620800 -37.1241 147.455 -415.23 78.3905 252.679 -184.27 -161.114 -372.726 -46.8717 PRESSAVG: 620800 -11.8378 11.4836 6.49713 11.4837 28.5041 -10.4156 6.49716 -10.4156 22.1395 GPRESSAVG: 620800 -11.9481 10.6382 7.4715 11.4444 28.859 -8.65206 6.65662 -9.83946 22.3323 TIMING: 620800 CPU: 1934.96, 0.00310277/step Wall: 1934.96, 0.00310277/step, 3.77435 hours remaining, 235.019531 MB of memory in use. ENERGY: 620800 3903.2614 20461.2026 14483.5798 245.2369 -203113.9721 2795.1993 0.0000 0.0000 52113.0403 -109112.4517 299.4944 -161225.4920 -108750.9061 299.7655 22.7955 56.2276 762601.4591 12.9353 13.0811 PRESSURE: 621000 182.55 15.7504 13.3088 15.7508 194.191 5.06191 13.3097 5.06297 -78.9937 GPRESSURE: 621000 182.549 26.0251 117.498 41.1677 204.243 -7.33816 62.3941 18.8437 -14.5518 PRESSAVG: 621000 -50.7954 11.1306 -19.4591 11.1306 68.2729 -5.15712 -19.459 -5.15715 -10.3641 GPRESSAVG: 621000 -51.4196 13.3713 -18.7432 8.04935 67.8992 -6.87688 -21.5567 -4.42621 -9.40081 TIMING: 621000 CPU: 1935.58, 0.00309631/step Wall: 1935.58, 0.00309631/step, 3.76632 hours remaining, 235.019531 MB of memory in use. ENERGY: 621000 4048.4883 20553.0158 14507.3339 255.5270 -203740.0947 3147.1582 0.0000 0.0000 51794.6436 -109433.9279 297.6645 -161228.5714 -109067.8693 298.9769 99.2493 124.0800 761553.8976 2.3711 2.3596 PRESSURE: 621200 40.9286 142.942 228.316 142.942 433.743 -158.566 228.317 -158.567 453.248 GPRESSURE: 621200 179.844 136.867 146.025 99.1824 379.017 -61.3021 351.544 -62.0039 467.633 PRESSAVG: 621200 -44.165 37.3004 11.39 37.3005 29.7177 6.73999 11.39 6.73992 24.2988 GPRESSAVG: 621200 -42.3892 34.4959 11.1409 39.4727 29.8603 8.03442 11.3402 4.56035 23.0385 TIMING: 621200 CPU: 1936.2, 0.00310338/step Wall: 1936.2, 0.00310338/step, 3.77474 hours remaining, 235.019531 MB of memory in use. ENERGY: 621200 4000.0737 20375.0609 14507.9923 223.9049 -203811.7374 3139.1003 0.0000 0.0000 52185.4989 -109380.1063 299.9108 -161565.6052 -109017.1095 298.8734 309.3068 342.1644 761919.4842 3.2838 3.5032 PRESSURE: 621400 354.595 190.309 -206.125 190.311 114.994 -67.4533 -206.126 -67.454 -213.38 GPRESSURE: 621400 315.196 175.394 -284.861 41.0231 178.701 8.07674 -59.4504 -111.208 -180.236 PRESSAVG: 621400 -2.10791 -4.82275 24.2136 -4.82277 -4.78184 -5.39536 24.2136 -5.39523 -18.5917 GPRESSAVG: 621400 -2.53952 -3.92492 23.4093 -4.88864 -5.94334 -6.20698 25.2269 -5.64608 -17.095 TIMING: 621400 CPU: 1936.82, 0.00310417/step Wall: 1936.82, 0.00310417/step, 3.77554 hours remaining, 235.019531 MB of memory in use. ENERGY: 621400 4019.6704 20638.3057 14517.6480 247.1290 -203690.2563 3169.6919 0.0000 0.0000 51826.7704 -109271.0409 297.8492 -161097.8113 -108918.6967 299.0228 85.4030 104.5538 761755.6989 -8.4938 -8.5260 PRESSURE: 621600 -270.254 89.4018 -30.0471 89.4022 -66.1093 40.9619 -30.0467 40.9613 249.462 GPRESSURE: 621600 -155.246 -58.6739 19.4835 87.8113 -89.1846 44.3848 65.1164 -25.1133 215.483 PRESSAVG: 621600 -25.2138 8.43104 11.3826 8.43102 35.0301 -7.13253 11.3826 -7.13247 -4.19712 GPRESSAVG: 621600 -25.7285 5.15837 11.4647 9.44568 36.6086 -5.69983 12.5424 -6.50131 -5.35132 TIMING: 621600 CPU: 1937.44, 0.00310629/step Wall: 1937.44, 0.00310629/step, 3.77794 hours remaining, 235.019531 MB of memory in use. ENERGY: 621600 3983.9873 20517.2239 14534.1887 240.9526 -203441.0396 2951.1802 0.0000 0.0000 52039.6930 -109173.8139 299.0728 -161213.5069 -108818.1307 299.5942 -28.9671 -9.6494 762575.8015 1.8731 1.8429 PRESSURE: 621800 95.7979 -98.7342 43.9953 -98.7335 79.2607 75.9624 43.9951 75.962 -178.569 GPRESSURE: 621800 185.869 -144.955 59.7338 -31.5132 23.546 123.377 3.01744 -64.0952 -105.035 PRESSAVG: 621800 -27.51 -5.31811 -29.2045 -5.31815 -2.5894 17.8939 -29.2046 17.894 16.8558 GPRESSAVG: 621800 -26.9129 -3.81415 -28.2354 -5.36509 -2.67342 17.6983 -27.7509 18.4377 16.2542 TIMING: 621800 CPU: 1938.06, 0.00310168/step Wall: 1938.06, 0.00310168/step, 3.77215 hours remaining, 235.019531 MB of memory in use. ENERGY: 621800 4060.7560 20398.1586 14546.3227 238.5208 -203188.1311 2698.1012 0.0000 0.0000 52072.0265 -109174.2452 299.2587 -161246.2717 -108819.9829 299.2104 -1.1700 34.7934 763966.3650 -4.4145 -4.4441 PRESSURE: 622000 -32.497 -18.3463 -164.522 -18.3468 -35.2047 56.0746 -164.523 56.0745 129.181 GPRESSURE: 622000 85.1615 -39.2306 -224.138 -60.667 -29.3383 18.7237 -111.039 -53.8849 105.009 PRESSAVG: 622000 65.3236 -31.6829 -30.114 -31.6829 -61.3056 42.1547 -30.114 42.1547 14.3495 GPRESSAVG: 622000 64.7815 -30.612 -29.938 -33.7039 -62.0634 41.396 -32.3947 41.5828 15.692 TIMING: 622000 CPU: 1938.68, 0.0031187/step Wall: 1938.68, 0.0031187/step, 3.79268 hours remaining, 235.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 622000 4012.0446 20430.5133 14556.6400 266.7703 -203162.0646 3045.9111 0.0000 0.0000 51757.7424 -109092.4429 297.4525 -160850.1852 -108726.4566 298.6554 20.4932 53.6109 765660.0296 6.1225 6.1367 PRESSURE: 622200 18.9473 -69.866 6.02329 -69.866 -22.3868 87.0636 6.02314 87.064 99.6286 GPRESSURE: 622200 -22.5988 -11.5327 -71.7315 1.74737 78.3886 71.8392 28.6104 108.731 109.671 PRESSAVG: 622200 24.6219 31.1489 8.7728 31.149 4.0207 26.9618 8.77282 26.9618 23.7254 GPRESSAVG: 622200 24.9205 31.1466 8.75891 33.9788 4.21436 26.4306 7.47333 28.1625 23.1894 TIMING: 622200 CPU: 1939.31, 0.00311683/step Wall: 1939.31, 0.00311683/step, 3.79024 hours remaining, 235.019531 MB of memory in use. ENERGY: 622200 3981.7925 20625.6000 14520.5662 255.4876 -203120.6014 2907.9452 0.0000 0.0000 52011.5581 -108817.6517 298.9111 -160829.2098 -108457.2300 299.4002 32.0631 55.1535 763346.0297 17.4560 17.4414 PRESSURE: 622400 -321.443 -7.611 -198.524 -7.61109 -389.642 -34.5354 -198.524 -34.5358 -231.399 GPRESSURE: 622400 -349.738 87.1383 -305.417 -63.7167 -303.62 -79.5887 -107.215 -104.581 -190.636 PRESSAVG: 622400 33.0756 -45.8103 8.22468 -45.8103 -33.7085 37.7758 8.22467 37.7759 -7.13893 GPRESSAVG: 622400 32.3361 -46.7531 8.57864 -47.6128 -32.5575 39.938 9.54709 35.9393 -7.30371 TIMING: 622400 CPU: 1939.93, 0.00311444/step Wall: 1939.93, 0.00311444/step, 3.78715 hours remaining, 235.019531 MB of memory in use. ENERGY: 622400 3917.9247 20600.1307 14430.3743 267.7826 -202663.8613 2491.3887 0.0000 0.0000 52150.5779 -108805.6823 299.7101 -160956.2603 -108442.8025 299.7848 -314.1613 -281.3311 766863.6571 -2.5906 -2.5083 PRESSURE: 622600 316.603 173.606 -33.8363 173.606 -211.301 -18.1503 -33.8356 -18.1508 200.476 GPRESSURE: 622600 261.769 100.409 90.6934 122.569 -95.8783 -17.9801 60.3205 65.9607 209.747 PRESSAVG: 622600 9.47355 9.83353 30.3707 9.83349 -15.7693 38.8162 30.3706 38.8162 10.8694 GPRESSAVG: 622600 8.83198 10.3869 30.2524 10.6298 -15.6744 36.0149 30.9757 39.6786 11.3411 TIMING: 622600 CPU: 1940.55, 0.00311928/step Wall: 1940.55, 0.00311928/step, 3.79287 hours remaining, 235.019531 MB of memory in use. ENERGY: 622600 3990.3104 20443.3751 14392.0107 233.5961 -202784.9298 2767.5762 0.0000 0.0000 52110.5171 -108847.5442 299.4799 -160958.0613 -108494.4914 299.5428 101.9258 125.2125 764418.7245 1.5245 1.4996 PRESSURE: 622800 -122.705 -230.212 62.6914 -230.211 -29.0788 53.029 62.6911 53.0292 289.581 GPRESSURE: 622800 -43.7498 -62.713 62.312 -226.215 -29.6008 46.2255 -2.56275 56.7345 311.805 PRESSAVG: 622800 49.235 21.7326 -9.3018 21.7327 -20.5307 -1.8815 -9.30182 -1.88144 -11.893 GPRESSAVG: 622800 50.3018 22.3645 -10.2224 22.1823 -21.9191 -0.686524 -8.68171 -0.749768 -11.9063 TIMING: 622800 CPU: 1941.18, 0.00312054/step Wall: 1941.18, 0.00312054/step, 3.79423 hours remaining, 235.019531 MB of memory in use. ENERGY: 622800 4071.0680 20629.9912 14466.1890 251.5193 -203338.2811 3074.6037 0.0000 0.0000 51839.7403 -109005.1696 297.9237 -160844.9099 -108638.2193 299.5536 45.9323 79.4847 763414.9418 5.6038 5.4921 PRESSURE: 623000 -7.93008 -56.8741 77.1121 -56.8738 293.503 -1.60025 77.1123 -1.59936 -378.16 GPRESSURE: 623000 36.1269 -148.435 69.5428 -88.9859 355.561 23.2654 150.023 25.9215 -394.676 PRESSAVG: 623000 57.8064 -1.97111 -32.2802 -1.97108 -2.50109 0.749591 -32.2803 0.749595 23.5269 GPRESSAVG: 623000 58.5264 -2.89108 -31.6649 -2.09616 -2.48217 1.07126 -33.2283 0.175559 22.937 TIMING: 623000 CPU: 1941.8, 0.00312116/step Wall: 1941.8, 0.00312116/step, 3.79481 hours remaining, 235.019531 MB of memory in use. ENERGY: 623000 4034.3696 20431.0021 14565.7927 243.7641 -203309.9177 2732.2582 0.0000 0.0000 52048.7925 -109253.9385 299.1251 -161302.7310 -108890.5748 299.3407 -30.8626 -0.9959 764544.3252 26.2774 26.3271 PRESSURE: 623200 113.747 50.8725 -121.331 50.8731 199.56 74.1446 -121.331 74.1446 -24.3349 GPRESSURE: 623200 192.597 149.645 -91.9639 20.0066 200.025 60.0885 -147.497 -24.9638 -28.8995 PRESSAVG: 623200 -40.589 5.74059 19.7426 5.7406 50.9278 22.2132 19.7426 22.2133 -13.2943 GPRESSAVG: 623200 -42.2335 5.45663 21.1311 5.22724 52.2246 22.2261 19.76 21.9773 -13.2628 TIMING: 623200 CPU: 1942.43, 0.00312222/step Wall: 1942.43, 0.00312222/step, 3.79593 hours remaining, 235.019531 MB of memory in use. ENERGY: 623200 4019.1085 20601.5485 14455.8445 238.6434 -203032.7379 2723.0491 0.0000 0.0000 51843.7041 -109150.8398 297.9465 -160994.5439 -108797.9156 298.7899 96.3241 121.2411 762048.3997 -0.9852 -1.0906 PRESSURE: 623400 324.011 28.4226 -356.536 28.422 207.565 192.376 -356.538 192.375 359.181 GPRESSURE: 623400 329.889 -9.42087 -280.257 -55.9859 290.757 253.391 -268.087 67.887 357.624 PRESSAVG: 623400 36.1 27.7635 -4.04512 27.7634 -23.2844 -21.9591 -4.04516 -21.9591 2.32424 GPRESSAVG: 623400 37.7059 29.6224 -6.11375 28.4574 -24.1328 -22.0475 -2.32667 -21.2316 2.32254 TIMING: 623400 CPU: 1943.05, 0.00311026/step Wall: 1943.05, 0.00311026/step, 3.78121 hours remaining, 235.019531 MB of memory in use. ENERGY: 623400 4002.6108 20466.5969 14435.7874 252.4426 -203258.0295 3115.7078 0.0000 0.0000 52033.3878 -108951.4962 299.0366 -160984.8840 -108594.2696 299.1972 296.9192 326.0900 764080.3392 5.0466 5.2986 PRESSURE: 623600 105.693 -197.658 -106.156 -197.658 21.3067 189.999 -106.156 189.999 62.2983 GPRESSURE: 623600 97.2997 -226.096 15.0936 -199.556 101.529 266.323 -53.8358 139.78 66.9627 PRESSAVG: 623600 -12.9809 -5.76736 -16.6878 -5.76739 -17.7755 -12.9659 -16.6878 -12.9659 -4.61017 GPRESSAVG: 623600 -15.2413 -8.12247 -14.4934 -6.05888 -17.4384 -11.5526 -16.4531 -13.041 -3.98115 TIMING: 623600 CPU: 1943.67, 0.0031007/step Wall: 1943.67, 0.0031007/step, 3.76941 hours remaining, 235.019531 MB of memory in use. ENERGY: 623600 3851.7956 20327.7822 14465.1892 250.4150 -202864.2450 2881.7751 0.0000 0.0000 51817.1404 -109270.1475 297.7938 -161087.2879 -108911.1856 299.0046 63.0992 88.5970 764201.9788 -11.7889 -12.2203 PRESSURE: 623800 75.9288 -178.04 -63.1892 -178.039 -335.547 -87.9707 -63.1892 -87.9713 -124.852 GPRESSURE: 623800 89.4236 -84.2466 -4.03875 -183.888 -267.968 -151.517 -90.6758 -160.315 -97.0483 PRESSAVG: 623800 48.9234 -7.86818 8.61384 -7.8682 19.4165 5.33762 8.61384 5.3376 5.57269 GPRESSAVG: 623800 50.7841 -6.73129 8.10234 -8.7021 18.1347 4.5785 5.80535 5.55516 4.40801 TIMING: 623800 CPU: 1944.29, 0.00311207/step Wall: 1944.29, 0.00311207/step, 3.78307 hours remaining, 235.019531 MB of memory in use. ENERGY: 623800 3979.9067 20495.5947 14368.8486 268.1964 -203164.5188 2984.1218 0.0000 0.0000 51964.3439 -109103.5069 298.6398 -161067.8507 -108739.8113 299.0011 -128.1570 -91.8643 766701.7145 24.6375 24.4423 PRESSURE: 624000 412.014 -48.5778 177.579 -48.5782 21.8907 47.8009 177.579 47.8008 -166.305 GPRESSURE: 624000 392.564 -38.5583 128.064 67.0759 14.7412 119.45 200.824 -62.4312 -58.9811 PRESSAVG: 624000 78.6773 8.43089 6.22916 8.43084 -39.2497 -28.2047 6.22924 -28.2046 5.42505 GPRESSAVG: 624000 77.4794 8.28042 6.14811 10.7776 -38.2029 -27.8603 7.20887 -29.8151 6.1604 TIMING: 624000 CPU: 1944.91, 0.00309909/step Wall: 1944.91, 0.00309909/step, 3.76712 hours remaining, 235.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 624000 3952.8360 20460.8957 14425.6260 241.9779 -203118.5967 2828.0251 0.0000 0.0000 51907.8322 -109301.4039 298.3150 -161209.2361 -108947.5517 298.9175 89.1999 116.1080 763801.0666 14.9509 15.1456 PRESSURE: 624200 -157.444 -61.043 -15.1515 -61.0427 88.7041 99.4191 -15.1518 99.4179 -6.08552 GPRESSURE: 624200 -110.926 30.6193 -31.6055 -2.39546 72.2108 128.774 -52.7602 119.557 35.1876 PRESSAVG: 624200 -4.83314 9.42587 -9.3985 9.42588 -14.827 11.31 -9.39852 11.31 22.236 GPRESSAVG: 624200 -3.38283 9.79976 -10.4609 8.14618 -16.0217 10.9955 -8.32025 12.9636 22.3323 TIMING: 624200 CPU: 1945.54, 0.00312336/step Wall: 1945.54, 0.00312337/step, 3.79645 hours remaining, 235.019531 MB of memory in use. ENERGY: 624200 3931.2151 20549.4962 14512.6930 252.3115 -203361.4594 2950.2963 0.0000 0.0000 51949.2924 -109216.1550 298.5533 -161165.4474 -108861.1596 298.7228 -24.9420 -1.1760 764049.0616 0.8586 0.9759 LDB: ============= START OF LOAD BALANCING ============== 1958.01 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1958.01 LDB: =============== DONE WITH MIGRATION ================ 1958.02 LDB: ============= START OF LOAD BALANCING ============== 1958.33 LDB: Largest compute 7002 load 0.031023 is 15.9% of average load 0.195033 LDB: Average compute 0.004380 is 2.2% of average load 0.195033 LDB: TIME 1958.33 LOAD: AVG 0.195033 MAX 0.216598 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.758 MB LDB: TIME 1958.33 LOAD: AVG 0.195033 MAX 0.216598 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.758 MB LDB: TIME 1958.33 LOAD: AVG 0.195033 MAX 0.216598 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.758 MB LDB: ============== END OF LOAD BALANCING =============== 1958.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1958.34 PRESSURE: 624400 -51.9097 88.4438 -10.8616 88.4441 -315.92 -91.7693 -10.8607 -91.7691 3.8196 GPRESSURE: 624400 39.4043 118.861 -70.402 60.3286 -220.715 -74.3714 -10.4912 -98.6086 -103.077 PRESSAVG: 624400 -49.5632 -9.71899 -15.4589 -9.71897 -17.5677 -18.0224 -15.4589 -18.0224 -26.1715 GPRESSAVG: 624400 -51.9606 -9.99371 -15.347 -8.71218 -15.2199 -18.523 -14.9145 -20.1648 -26.3222 TIMING: 624400 CPU: 1946.17, 0.00318198/step Wall: 1946.17, 0.00318198/step, 3.86752 hours remaining, 234.757812 MB of memory in use. ENERGY: 624400 4035.7055 20289.7651 14423.8216 246.2027 -202715.8527 2495.9891 0.0000 0.0000 51798.5973 -109425.7715 297.6873 -161224.3688 -109068.9815 298.2755 -121.3368 -94.7960 763994.0207 -31.1008 -31.1676 PRESSURE: 624600 142.39 97.2689 94.8814 97.2688 -243.774 53.1707 94.8814 53.1708 171.921 GPRESSURE: 624600 101.382 51.3224 137.738 179.799 -114.839 91.0014 40.8391 -26.5762 165.925 PRESSAVG: 624600 39.7624 43.4236 53.8204 43.4236 -36.7865 -21.1149 53.8204 -21.1148 33.1939 GPRESSAVG: 624600 40.582 43.8015 53.5634 42.3815 -37.1829 -21.401 51.5239 -20.2882 32.6877 TIMING: 624600 CPU: 1946.79, 0.00310643/step Wall: 1946.79, 0.00310643/step, 3.77553 hours remaining, 234.757812 MB of memory in use. ENERGY: 624600 3982.6103 20287.9864 14402.1068 251.8113 -202750.6281 2515.3748 0.0000 0.0000 51918.5075 -109392.2310 298.3764 -161310.7385 -109032.6493 298.2937 23.5126 50.8228 765431.3594 12.0566 12.0290 PRESSURE: 624800 -271.659 -160.698 244.096 -160.699 122.636 -80.1413 244.096 -80.1417 81.8972 GPRESSURE: 624800 -254.434 -61.0252 279.532 -146.147 166.753 -90.3581 240.224 -47.4984 118.971 PRESSAVG: 624800 -22.5617 -7.17701 36.1917 -7.177 28.2148 -13.4929 36.1917 -13.4929 15.5444 GPRESSAVG: 624800 -22.8614 -8.38152 35.5608 -7.24297 28.257 -13.5072 38.4259 -12.5802 15.6257 TIMING: 624800 CPU: 1947.41, 0.0031062/step Wall: 1947.41, 0.0031062/step, 3.77507 hours remaining, 234.757812 MB of memory in use. ENERGY: 624800 4014.9892 20439.7260 14498.9416 223.7950 -203427.1745 3053.5823 0.0000 0.0000 51978.1202 -109218.0202 298.7190 -161196.1403 -108857.2330 298.4738 -22.3752 10.4299 763627.1628 7.0658 7.0071 PRESSURE: 625000 25.842 216.966 -142.848 216.966 -196.903 -147.322 -142.848 -147.321 -273.95 GPRESSURE: 625000 65.5266 181.262 -178.864 185.507 -202.836 -187.942 -225.468 -88.0057 -204.915 PRESSAVG: 625000 13.2581 14.3701 -6.76657 14.37 -17.4635 4.72272 -6.76657 4.72265 4.78123 GPRESSAVG: 625000 12.941 14.6083 -5.92536 14.2882 -17.4611 5.66263 -7.25165 2.53812 4.56201 TIMING: 625000 CPU: 1948.03, 0.00309719/step Wall: 1948.03, 0.00309719/step, 3.76394 hours remaining, 234.757812 MB of memory in use. ENERGY: 625000 3894.8656 20414.5413 14508.6007 240.7262 -203213.2420 2843.0835 0.0000 0.0000 51859.7722 -109451.6525 298.0388 -161311.4247 -109094.3637 298.1761 -148.3372 -114.0748 762898.9514 0.1919 0.0140 PRESSURE: 625200 -187.309 -124.85 51.1127 -124.851 -247.058 195.687 51.1128 195.686 -62.298 GPRESSURE: 625200 -129.128 -20.6407 -7.05675 -170.452 -301.968 79.9334 10.0954 162.503 21.3139 PRESSAVG: 625200 13.3845 41.7303 25.727 41.7303 -41.8268 0.635355 25.727 0.635388 -6.35073 GPRESSAVG: 625200 13.2819 42.2997 26.3627 42.1336 -42.6263 0.741711 25.8553 3.04371 -6.04785 TIMING: 625200 CPU: 1948.65, 0.00310094/step Wall: 1948.65, 0.00310094/step, 3.76833 hours remaining, 234.757812 MB of memory in use. ENERGY: 625200 4026.2467 20578.3832 14504.2978 243.1562 -202975.7131 2737.5285 0.0000 0.0000 51727.2311 -109158.8696 297.2771 -160886.1006 -108806.4767 298.6086 -165.5550 -136.5940 766173.8518 -11.5977 -11.7974 PRESSURE: 625400 -90.7705 -31.8869 96.7664 -31.8871 320.189 103 96.7656 102.999 -170.259 GPRESSURE: 625400 -67.5609 -102.973 43.5051 30.7352 382.173 114.026 84.5442 217.864 -180.932 PRESSAVG: 625400 1.29643 33.6518 1.49695 33.6518 -0.278623 -12.0039 1.49696 -12.0039 9.41295 GPRESSAVG: 625400 1.93359 33.1882 -0.0751296 32.0666 0.220589 -11.733 1.03827 -11.0737 8.42308 TIMING: 625400 CPU: 1949.27, 0.0030939/step Wall: 1949.27, 0.0030939/step, 3.7596 hours remaining, 234.757812 MB of memory in use. ENERGY: 625400 3978.6693 20413.9888 14522.8966 257.1596 -203132.6405 2831.4952 0.0000 0.0000 52026.1087 -109102.3223 298.9948 -161128.4310 -108733.5643 299.3205 19.7198 44.5602 762961.1279 3.4769 3.5258 PRESSURE: 625600 10.7793 68.526 162.22 68.5255 178.12 10.7874 162.219 10.7886 416.487 GPRESSURE: 625600 37.2041 163.121 174.248 173.908 296.171 -77.64 120.88 73.6228 352.181 PRESSAVG: 625600 17.8865 37.1075 -1.0516 37.1075 -16.5401 31.4548 -1.05161 31.4548 0.295175 GPRESSAVG: 625600 18.5425 38.1289 -2.21975 39.0422 -16.7151 30.7942 0.242157 29.6892 -0.226413 TIMING: 625600 CPU: 1949.89, 0.00310188/step Wall: 1949.89, 0.00310188/step, 3.76913 hours remaining, 234.757812 MB of memory in use. ENERGY: 625600 3891.1913 20361.5996 14487.7899 252.5056 -203381.3011 3043.2953 0.0000 0.0000 52271.7438 -109073.1755 300.4064 -161344.9193 -108720.3647 298.7782 201.7955 228.5189 763864.8452 0.5472 0.5337 PRESSURE: 625800 25.004 75.7787 -23.6924 75.7787 -315.663 87.1111 -23.6926 87.111 181.906 GPRESSURE: 625800 38.5207 111.347 -67.0006 -11.9806 -229.081 76.2926 51.254 -1.1837 176.357 PRESSAVG: 625800 3.06656 12.7334 28.7818 12.7334 -18.3283 72.2194 28.7817 72.2195 -15.5041 GPRESSAVG: 625800 1.46908 11.7671 30.9816 13.9668 -18.3749 72.1825 28.0369 72.2364 -14.031 TIMING: 625800 CPU: 1950.51, 0.00310256/step Wall: 1950.51, 0.00310256/step, 3.76978 hours remaining, 234.757812 MB of memory in use. ENERGY: 625800 3971.1915 20561.0407 14398.8869 236.7653 -202931.7539 2643.7193 0.0000 0.0000 52166.4989 -108953.6512 299.8016 -161120.1501 -108591.7213 299.2646 -36.2509 -4.7346 765177.9894 -10.2553 -10.3123 PRESSURE: 626000 -179.869 41.3421 -187.737 41.343 -74.3552 188.719 -187.737 188.718 -254.992 GPRESSURE: 626000 -123.589 -77.0865 -208.475 26.2718 -105.487 140.568 -80.276 222.812 -201.69 PRESSAVG: 626000 58.0559 59.9565 -13.5682 59.9564 -4.77845 18.6344 -13.5681 18.6344 2.0787 GPRESSAVG: 626000 59.0107 59.0096 -14.2484 57.2117 -4.69442 20.7398 -15.3254 18.5107 1.33354 TIMING: 626000 CPU: 1951.13, 0.00309952/step Wall: 1951.13, 0.00309952/step, 3.76591 hours remaining, 234.757812 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: 626000 3989.8634 20405.3556 14451.7323 258.4381 -202700.6253 2453.7223 0.0000 0.0000 52063.2059 -109078.3077 299.2080 -161141.5136 -108716.8733 298.9890 -169.7389 -143.5885 764390.9970 18.4520 18.5499 PRESSURE: 626200 225.234 -216.118 -73.0991 -216.118 -121.294 -299.295 -73.0991 -299.295 -149.848 GPRESSURE: 626200 128.257 -216.07 -39.4886 -149.579 90.4677 -304.749 -86.9192 -247.997 -152.104 PRESSAVG: 626200 -55.4487 25.3723 -26.1651 25.3724 -7.95718 20.5498 -26.1651 20.5497 -0.890341 GPRESSAVG: 626200 -55.6118 24.6012 -25.6916 27.1793 -7.97643 18.5131 -25.0369 21.6323 -0.365097 TIMING: 626200 CPU: 1951.76, 0.00310961/step Wall: 1951.76, 0.00310961/step, 3.77801 hours remaining, 234.757812 MB of memory in use. ENERGY: 626200 4065.5690 20553.0956 14424.3578 242.2754 -203048.3308 2760.7053 0.0000 0.0000 51947.3205 -109055.0073 298.5420 -161002.3278 -108703.1618 299.0633 -15.3027 22.2069 764041.7866 -21.4321 -21.3178 PRESSURE: 626400 -489.557 -142.093 161.278 -142.093 -289.699 140.117 161.278 140.118 -165.074 GPRESSURE: 626400 -355.863 -70.4789 97.8583 -34.2393 -273.215 96.2539 190.743 190.417 -221.04 PRESSAVG: 626400 24.8517 6.05646 4.99914 6.05645 -17.7656 -28.0374 4.99917 -28.0373 12.0976 GPRESSAVG: 626400 25.0768 8.23097 5.01198 5.00107 -17.749 -28.2972 2.45119 -31.3872 11.7886 TIMING: 626400 CPU: 1952.38, 0.00310308/step Wall: 1952.38, 0.00310308/step, 3.7699 hours remaining, 234.757812 MB of memory in use. ENERGY: 626400 4063.2379 20700.3752 14462.5189 233.6902 -203296.5685 2755.2728 0.0000 0.0000 52003.6935 -109077.7801 298.8659 -161081.4736 -108716.0318 299.2205 -314.7770 -283.3728 764090.6218 6.3946 6.3721 PRESSURE: 626600 -7.1964 -39.8847 -84.8777 -39.8845 166.939 -21.0031 -84.8772 -21.0033 370.689 GPRESSURE: 626600 53.5849 -24.4338 -20.1906 -49.9771 111.821 -56.0161 0.973714 88.4706 439.967 PRESSAVG: 626600 15.3057 -15.4138 16.2066 -15.4138 -39.3105 19.2062 16.2065 19.2062 -0.603284 GPRESSAVG: 626600 14.9081 -15.8327 16.4954 -14.4096 -39.4178 20.22 18.7915 22.5562 -0.396136 TIMING: 626600 CPU: 1953, 0.00311481/step Wall: 1953, 0.00311481/step, 3.78398 hours remaining, 234.757812 MB of memory in use. ENERGY: 626600 3943.1142 20518.2189 14494.1168 242.6205 -203197.5542 2778.8331 0.0000 0.0000 52208.4910 -109012.1599 300.0429 -161220.6509 -108650.5205 299.7383 176.8106 201.7911 762751.7877 -8.2027 -8.3019 PRESSURE: 626800 -361.463 -136.58 12.0905 -136.58 -177.828 164.47 12.09 164.47 -385.865 GPRESSURE: 626800 -249.288 -175.354 70.642 -166.833 -201.492 154.049 -72.5399 141.552 -405.61 PRESSAVG: 626800 0.617167 59.5568 34.183 59.5568 -42.2314 48.2533 34.1829 48.2533 -0.880111 GPRESSAVG: 626800 1.98548 59.7375 34.11 59.1814 -43.7835 48.7717 34.1782 46.5579 -0.946348 TIMING: 626800 CPU: 1953.62, 0.00310199/step Wall: 1953.62, 0.00310199/step, 3.76823 hours remaining, 234.757812 MB of memory in use. ENERGY: 626800 4034.7931 20680.4541 14467.7086 251.1560 -203301.9714 2693.5496 0.0000 0.0000 52130.5457 -109043.7642 299.5950 -161174.3100 -108681.0344 299.5074 -308.3853 -285.4631 763874.5324 -14.1648 -14.2481 PRESSURE: 627000 61.8672 -87.2922 1.96749 -87.2918 62.9936 174.537 1.96758 174.537 15.3407 GPRESSURE: 627000 116.205 16.9186 -44.4724 -111.013 123.935 84.9645 17.1842 191.648 -22.5177 PRESSAVG: 627000 18.4133 -41.2427 32.6398 -41.2426 -39.5121 22.7133 32.6397 22.7133 -20.2358 GPRESSAVG: 627000 16.4714 -41.5073 32.7943 -40.29 -37.155 20.4242 31.8419 22.7353 -20.4089 TIMING: 627000 CPU: 1954.24, 0.00312129/step Wall: 1954.24, 0.00312129/step, 3.7915 hours remaining, 234.757812 MB of memory in use. ENERGY: 627000 3886.0648 20675.7867 14411.5063 231.5270 -203633.6269 3082.6657 0.0000 0.0000 52208.5944 -109137.4820 300.0435 -161346.0764 -108768.5727 299.3052 46.7339 72.5408 763030.9165 -13.7782 -13.6975 PRESSURE: 627200 78.8579 204.209 52.9351 204.209 -152.475 -28.2562 52.9345 -28.2557 277.816 GPRESSURE: 627200 199.492 140.114 -54.5619 217.528 -89.7604 -6.70214 -65.8626 3.2674 185.67 PRESSAVG: 627200 13.1708 -34.4117 2.29462 -34.4117 -8.10652 -28.6928 2.29466 -28.6928 -5.67479 GPRESSAVG: 627200 14.6905 -33.7601 1.30373 -34.7764 -7.99273 -26.2673 1.07296 -26.6451 -6.75789 TIMING: 627200 CPU: 1954.87, 0.00311338/step Wall: 1954.87, 0.00311338/step, 3.78172 hours remaining, 234.757812 MB of memory in use. ENERGY: 627200 3987.9107 20564.7373 14399.5863 240.5465 -203205.4769 2948.5244 0.0000 0.0000 51966.1265 -109098.0452 298.6500 -161064.1717 -108737.5247 299.5034 68.0663 98.4675 763929.8841 -0.2035 -0.0200 PRESSURE: 627400 210.789 154.822 -321.909 154.822 80.4148 18.5192 -321.909 18.5188 389.95 GPRESSURE: 627400 351.047 100.506 -339.098 41.8945 66.6522 7.63098 -316.332 68.1187 388.026 PRESSAVG: 627400 17.5506 -36.0316 -20.3334 -36.0317 -8.53237 18.4287 -20.3334 18.4286 11.3114 GPRESSAVG: 627400 17.3795 -37.2799 -20.5101 -35.06 -9.46331 18.2501 -17.2733 17.0717 12.1758 TIMING: 627400 CPU: 1955.49, 0.00309995/step Wall: 1955.49, 0.00309995/step, 3.76523 hours remaining, 234.757812 MB of memory in use. ENERGY: 627400 3926.9264 20536.8626 14514.0565 239.0466 -203275.7275 2986.5793 0.0000 0.0000 51951.5720 -109120.6840 298.5664 -161072.2560 -108753.5743 299.1242 227.0512 268.5751 763163.3885 6.7765 6.6973 PRESSURE: 627600 -76.2429 -22.9103 -201.268 -22.9098 -257.243 47.6075 -201.268 47.6081 -2.01261 GPRESSURE: 627600 -23.8204 33.931 -229.798 -21.9049 -166.085 89.1037 -262.291 16.6346 -51.1341 PRESSAVG: 627600 8.31731 35.9114 -20.205 35.9114 -7.03452 26.3004 -20.2051 26.3003 3.47566 GPRESSAVG: 627600 8.14603 37.4303 -19.0932 33.3193 -7.40635 25.1812 -21.5105 26.6478 4.26845 TIMING: 627600 CPU: 1956.11, 0.00310876/step Wall: 1956.11, 0.00310876/step, 3.77577 hours remaining, 234.757812 MB of memory in use. ENERGY: 627600 4054.9447 20495.5245 14453.0717 257.7128 -203424.5863 2974.0746 0.0000 0.0000 52009.2192 -109180.0388 298.8977 -161189.2580 -108835.4055 299.1786 -111.8329 -80.3466 764022.4277 1.5861 1.6694 PRESSURE: 627800 -42.5692 -158.209 16.7721 -158.208 -385.807 75.9961 16.772 75.9968 -27.7515 GPRESSURE: 627800 -56.1563 -54.3583 43.1913 -109.621 -301.206 125.978 41.8886 109.594 -7.6084 PRESSAVG: 627800 22.68 17.3487 16.0585 17.3487 5.04301 78.5265 16.0585 78.5265 7.14688 GPRESSAVG: 627800 22.5866 17.1846 15.2811 18.8483 6.0864 78.3397 16.0849 78.0293 6.32786 TIMING: 627800 CPU: 1956.73, 0.0031012/step Wall: 1956.73, 0.0031012/step, 3.7664 hours remaining, 234.757812 MB of memory in use. ENERGY: 627800 4012.1188 20561.2420 14532.6703 222.7139 -202928.6991 2781.1212 0.0000 0.0000 51863.5742 -108955.2587 298.0607 -160818.8329 -108598.0964 299.3309 -152.0426 -121.6568 765396.3914 11.6233 11.6670 PRESSURE: 628000 112.096 211.347 -56.9468 211.347 -107.406 202.596 -56.9475 202.595 -282.06 GPRESSURE: 628000 87.0129 83.3109 7.8623 84.5145 -15.6662 298.519 -36.1377 116.845 -254.285 PRESSAVG: 628000 -26.0228 -29.094 -28.1224 -29.0939 45.8806 42.9611 -28.1224 42.961 -3.29564 GPRESSAVG: 628000 -26.4057 -28.6968 -27.426 -30.3854 45.9656 44.8968 -26.8683 40.8875 -3.1228 TIMING: 628000 CPU: 1957.35, 0.00310226/step Wall: 1957.35, 0.00310226/step, 3.76752 hours remaining, 234.757812 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: 628000 4071.6815 20496.7004 14480.2680 248.0940 -203234.2539 2759.4325 0.0000 0.0000 52123.2880 -109054.7895 299.5533 -161178.0775 -108697.9815 299.2773 -92.4565 -60.9795 764157.0278 5.5207 5.4790 PRESSURE: 628200 -164.768 -46.507 196.738 -46.5066 -6.38017 -28.2234 196.739 -28.224 282.89 GPRESSURE: 628200 -84.8321 -87.7387 124.899 -95.7158 -41.5299 17.5205 185.68 -18.9534 309.384 PRESSAVG: 628200 -50.3188 54.7495 68.7038 54.7495 -2.03948 16.5826 68.7038 16.5826 -28.462 GPRESSAVG: 628200 -50.1174 53.406 67.4072 55.034 -2.62064 13.0283 69.6868 19.6361 -28.2008 TIMING: 628200 CPU: 1957.97, 0.0031193/step Wall: 1957.97, 0.0031193/step, 3.78805 hours remaining, 234.757812 MB of memory in use. ENERGY: 628200 3989.5786 20281.8150 14527.2832 257.7597 -202950.2227 2834.3743 0.0000 0.0000 51972.9784 -109086.4335 298.6894 -161059.4120 -108722.7438 299.7099 37.2475 61.0075 765303.5518 -26.9401 -26.9796 LDB: ============= START OF LOAD BALANCING ============== 1970.45 LDB: ============== END OF LOAD BALANCING =============== 1970.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1970.45 LDB: ============= START OF LOAD BALANCING ============== 1970.76 LDB: Largest compute 7052 load 0.030037 is 15.4% of average load 0.194897 LDB: Average compute 0.004383 is 2.2% of average load 0.194897 LDB: TIME 1970.77 LOAD: AVG 0.194897 MAX 0.214522 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.734 MB LDB: TIME 1970.77 LOAD: AVG 0.194897 MAX 0.214522 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.734 MB LDB: TIME 1970.77 LOAD: AVG 0.194897 MAX 0.214522 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.734 MB LDB: ============== END OF LOAD BALANCING =============== 1970.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1970.77 PRESSURE: 628400 -68.9349 -47.4673 -74.3497 -47.4667 -38.8177 -13.8067 -74.3504 -13.808 18.486 GPRESSURE: 628400 -73.52 3.13181 -144.849 -76.2217 31.0159 40.2683 -28.9665 -44.0802 35.3701 PRESSAVG: 628400 -2.65427 -41.8502 24.6188 -41.8502 -0.169425 -9.43083 24.6188 -9.43087 0.735956 GPRESSAVG: 628400 -3.18142 -39.0737 26.5698 -45.0781 0.496969 -7.41921 23.5866 -12.8221 0.983438 TIMING: 628400 CPU: 1958.61, 0.00317208/step Wall: 1958.61, 0.00317208/step, 3.85196 hours remaining, 235.015625 MB of memory in use. ENERGY: 628400 4028.1951 20671.7046 14341.9566 259.9633 -203585.3066 3011.1100 0.0000 0.0000 52030.9599 -109241.4170 299.0226 -161272.3769 -108882.2713 298.7931 -29.7555 -2.3780 763436.1567 -0.6959 -0.5670 PRESSURE: 628600 5.56238 -60.2749 97.6144 -60.2743 -222.46 119.645 97.6141 119.644 126.219 GPRESSURE: 628600 56.0954 -1.47238 132.214 -48.6055 -155.584 151.427 114.74 225.252 100.417 PRESSAVG: 628600 -33.7679 -44.8254 29.692 -44.8253 54.0056 28.0674 29.692 28.0674 1.85562 GPRESSAVG: 628600 -32.0579 -48.0766 30.3548 -39.0676 52.2993 28.898 28.63 30.0831 2.11499 TIMING: 628600 CPU: 1959.23, 0.003103/step Wall: 1959.23, 0.003103/step, 3.7679 hours remaining, 235.015625 MB of memory in use. ENERGY: 628600 3955.9410 20489.2540 14458.0816 249.2475 -203090.1699 2703.3855 0.0000 0.0000 52018.2560 -109216.0043 298.9496 -161234.2603 -108844.8826 298.9166 -30.2263 0.3093 764178.8258 7.3644 7.4521 PRESSURE: 628800 -137.737 179.597 -233.801 179.596 56.1959 197.523 -233.801 197.523 -307.575 GPRESSURE: 628800 -128.437 201.506 -332.409 141.7 31.4414 244.304 -166.2 -27.3034 -192.351 PRESSAVG: 628800 -65.1473 -26.0046 4.88097 -26.0046 64.9521 16.1656 4.88097 16.1656 4.75704 GPRESSAVG: 628800 -66.0545 -25.4094 3.45833 -28.1209 66.2082 13.7621 6.21923 17.4887 4.63227 TIMING: 628800 CPU: 1959.85, 0.00309271/step Wall: 1959.85, 0.00309271/step, 3.75523 hours remaining, 235.015625 MB of memory in use. ENERGY: 628800 4028.9928 20484.4763 14456.2362 231.1764 -202939.9664 2555.6265 0.0000 0.0000 51895.4854 -109287.9730 298.2441 -161183.4583 -108921.6892 298.5663 -129.7055 -96.4488 763848.1106 1.5206 1.5953 PRESSURE: 629000 168.817 112.928 116.069 112.927 -117.185 44.4012 116.068 44.4014 237.465 GPRESSURE: 629000 211.622 142.034 158.888 107.283 -161.63 4.87291 43.3765 51.2805 331.816 PRESSAVG: 629000 -5.93198 -25.5453 59.354 -25.5453 37.635 15.7771 59.354 15.7771 1.04561 GPRESSAVG: 629000 -5.92276 -24.9441 60.4353 -24.6713 37.4491 17.5868 59.7329 15.3421 1.08961 TIMING: 629000 CPU: 1960.47, 0.0031043/step Wall: 1960.47, 0.0031043/step, 3.76914 hours remaining, 235.015625 MB of memory in use. ENERGY: 629000 3957.8975 20574.5119 14434.6385 235.0447 -203446.6252 2948.8824 0.0000 0.0000 51960.7148 -109334.9354 298.6189 -161295.6503 -108976.3334 298.8672 96.3656 127.2693 764024.3925 10.9162 10.8720 PRESSURE: 629200 -240.419 102.354 -38.8987 102.354 -215.182 271.546 -38.8988 271.546 -24.2379 GPRESSURE: 629200 -200.085 68.81 -79.1246 60.6591 -122.649 228.382 68.434 196.176 -68.9503 PRESSAVG: 629200 9.4159 -24.7668 19.3734 -24.7668 -15.454 -45.6421 19.3734 -45.6421 -4.64264 GPRESSAVG: 629200 10.1469 -25.3581 16.8375 -24.9633 -14.6299 -45.8797 20.8063 -48.7283 -5.82724 TIMING: 629200 CPU: 1961.08, 0.00308656/step Wall: 1961.08, 0.00308656/step, 3.74742 hours remaining, 235.015625 MB of memory in use. ENERGY: 629200 3968.9646 20676.5713 14490.4654 239.7362 -203553.5659 2810.6365 0.0000 0.0000 51895.1263 -109472.0657 298.2420 -161367.1920 -109109.2511 298.6450 -159.9463 -130.5617 764714.1764 -3.5602 -3.4367 PRESSURE: 629400 -18.1978 -132.832 247.053 -132.832 93.8369 -66.6437 247.053 -66.6432 -73.1528 GPRESSURE: 629400 71.1442 -70.9446 361.585 -243.43 78.5517 -4.51628 246.7 -136.032 -71.0127 PRESSAVG: 629400 22.8784 23.4766 41.4374 23.4766 11.2991 -7.46657 41.4373 -7.46658 14.739 GPRESSAVG: 629400 22.8067 22.6064 43.6743 21.5403 11.2207 -6.33542 39.4475 -5.75214 15.4823 TIMING: 629400 CPU: 1961.7, 0.00309914/step Wall: 1961.7, 0.00309914/step, 3.76253 hours remaining, 235.015625 MB of memory in use. ENERGY: 629400 4020.7183 20509.1729 14445.1686 277.5443 -203843.3408 3023.2223 0.0000 0.0000 52241.2107 -109326.3037 300.2310 -161567.5144 -108956.4689 298.5043 0.8288 26.2277 762020.1571 16.3055 16.5032 PRESSURE: 629600 446.535 -32.6005 30.3642 -32.6007 292.444 -144.962 30.3646 -144.962 78.1445 GPRESSURE: 629600 401.724 53.0083 22.2149 59.1412 345.077 -95.1438 -33.8306 28.985 147.971 PRESSAVG: 629600 -28.5443 -36.6009 39.3739 -36.6009 49.0536 -34.8966 39.3739 -34.8966 -0.867331 GPRESSAVG: 629600 -28.4291 -33.6742 38.3265 -34.8681 48.5929 -36.1494 39.295 -33.3979 -0.487498 TIMING: 629600 CPU: 1962.32, 0.00309316/step Wall: 1962.32, 0.00309316/step, 3.7551 hours remaining, 235.015625 MB of memory in use. ENERGY: 629600 3918.7950 20404.2743 14479.2629 243.5982 -203529.8751 2984.5442 0.0000 0.0000 52188.5692 -109310.8313 299.9284 -161499.4005 -108950.1597 299.0742 272.3747 298.2574 761021.0384 6.5473 6.5588 PRESSURE: 629800 37.0471 -168.185 2.93359 -168.184 -21.7009 48.2778 2.93337 48.2782 248.598 GPRESSURE: 629800 34.189 -51.528 54.0965 -151.435 134.159 -71.6523 -68.9319 21.2522 186.013 PRESSAVG: 629800 -7.59644 -6.80489 34.1605 -6.80485 43.5912 -1.66217 34.1605 -1.66215 -6.2553 GPRESSAVG: 629800 -8.03318 -8.49541 35.0783 -6.6588 44.1816 -2.62541 34.4311 -1.49253 -5.6608 TIMING: 629800 CPU: 1962.94, 0.00308901/step Wall: 1962.94, 0.00308902/step, 3.74989 hours remaining, 235.015625 MB of memory in use. ENERGY: 629800 4013.5756 20527.3650 14467.9103 229.8454 -202805.3821 2734.0996 0.0000 0.0000 51571.7323 -109260.8539 296.3835 -160832.5862 -108905.2705 298.8771 87.9814 118.1205 764501.9186 9.9131 10.1625 PRESSURE: 630000 59.0247 21.1079 -152.766 21.1081 -181.312 21.6127 -152.765 21.6123 -194.941 GPRESSURE: 630000 14.4237 51.7188 -129.42 -24.8047 -125.128 72.4486 -76.4106 -31.9577 -130.568 PRESSAVG: 630000 3.8121 -2.51518 61.355 -2.5153 9.49559 0.753691 61.3551 0.753667 23.9672 GPRESSAVG: 630000 4.95625 0.690507 60.3656 -6.42224 8.92042 1.24563 63.2119 0.685502 23.6378 TIMING: 630000 CPU: 1963.56, 0.00308476/step Wall: 1963.56, 0.00308476/step, 3.74455 hours remaining, 235.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 630000 3909.9352 20477.4542 14594.1312 282.1290 -203495.8813 2982.6908 0.0000 0.0000 52007.3819 -109242.1590 298.8871 -161249.5409 -108881.9319 298.3853 -105.7426 -80.4241 763484.7891 12.4250 12.5048 PRESSURE: 630200 -348.383 -58.6399 -78.9266 -58.6396 -266.438 -315.064 -78.9268 -315.064 -174.622 GPRESSURE: 630200 -258.864 -6.19933 -15.1424 -8.90924 -232.912 -248.263 -29.8994 -369.485 -216.246 PRESSAVG: 630200 12.0637 1.63844 11.7845 1.63844 -45.2189 -13.8219 11.7844 -13.8219 27.9545 GPRESSAVG: 630200 10.1986 -0.47989 11.5546 4.34965 -44.3802 -14.1825 9.56259 -14.1635 28.6715 TIMING: 630200 CPU: 1964.17, 0.00308721/step Wall: 1964.17, 0.00308721/step, 3.74736 hours remaining, 235.015625 MB of memory in use. ENERGY: 630200 4050.7583 20589.1030 14537.0587 258.9701 -203226.3700 2656.9817 0.0000 0.0000 51854.2356 -109279.2625 298.0070 -161133.4981 -108931.7451 298.4514 -263.1475 -236.0075 763406.6218 -1.7335 -1.8367 PRESSURE: 630400 -499.009 -42.2591 102.969 -42.2591 -80.313 10.558 102.969 10.5586 -80.4681 GPRESSURE: 630400 -425.529 -45.2243 103.286 -121.874 -82.8434 -8.98338 43.442 42.5639 -60.7392 PRESSAVG: 630400 -20.0152 -33.7577 -16.3849 -33.7577 -2.66437 -1.18532 -16.385 -1.1854 -8.9113 GPRESSAVG: 630400 -18.7863 -33.9484 -15.2625 -34.0224 -2.22263 -0.71932 -17.0158 -0.654275 -10.2986 TIMING: 630400 CPU: 1964.79, 0.00310064/step Wall: 1964.79, 0.00310064/step, 3.76349 hours remaining, 235.015625 MB of memory in use. ENERGY: 630400 4024.8174 20594.1395 14500.7378 247.9651 -202630.4810 2298.4602 0.0000 0.0000 51742.9266 -109221.4346 297.3673 -160964.3612 -108862.6991 298.8339 -219.9299 -189.7039 763099.1493 -10.5303 -10.4358 PRESSURE: 630600 411.86 -86.3658 19.8968 -86.3654 139.029 -207.485 19.8972 -207.485 298.314 GPRESSURE: 630600 341.962 -7.52104 16.6364 -152.164 186.404 -184.863 -8.27829 -206.152 404.946 PRESSAVG: 630600 10.9901 27.2104 12.3783 27.2104 -15.813 23.8579 12.3783 23.858 8.82176 GPRESSAVG: 630600 11.3326 27.1856 12.5081 27.2231 -17.0107 23.6783 13.7238 22.9235 9.73243 TIMING: 630600 CPU: 1965.42, 0.00310855/step Wall: 1965.42, 0.00310855/step, 3.77292 hours remaining, 235.015625 MB of memory in use. ENERGY: 630600 3999.0586 20511.6140 14457.3714 268.7945 -203438.4646 3080.1983 0.0000 0.0000 51877.7671 -109243.6607 298.1422 -161121.4278 -108886.7327 298.2280 283.0675 311.1039 763077.6488 1.3330 1.3514 PRESSURE: 630800 31.1581 29.2207 82.3735 29.2196 133.499 22.7781 82.3732 22.7778 259.576 GPRESSURE: 630800 -15.5632 77.1572 151.315 74.3305 176.711 32.8074 -101.674 -19.6185 329.321 PRESSAVG: 630800 -7.30664 -28.7542 19.3094 -28.7542 -0.868142 2.55873 19.3093 2.55869 -2.29489 GPRESSAVG: 630800 -7.59067 -27.8189 18.0973 -31.3567 -1.37383 1.73264 18.1614 2.72479 -1.8885 TIMING: 630800 CPU: 1966.04, 0.0030955/step Wall: 1966.04, 0.0030955/step, 3.7569 hours remaining, 235.015625 MB of memory in use. ENERGY: 630800 3977.8628 20468.5076 14466.2095 246.0402 -203450.5062 2899.8549 0.0000 0.0000 52419.7551 -108972.2761 301.2571 -161392.0311 -108609.2502 298.9006 141.4111 163.4896 762411.1093 -3.4899 -3.6177 PRESSURE: 631000 -205.816 -45.1228 -10.85 -45.1232 -178.244 -46.1194 -10.8515 -46.1195 84.7494 GPRESSURE: 631000 -136.105 50.5435 18.3082 -15.4537 -114.042 -78.7424 9.27695 -73.9227 43.6264 PRESSAVG: 631000 -12.2358 13.3911 49.6755 13.3911 -1.96556 46.5558 49.6755 46.5558 -8.21642 GPRESSAVG: 631000 -12.9999 12.7481 50.707 13.927 -1.72884 46.4486 49.6577 46.9579 -8.41507 TIMING: 631000 CPU: 1966.65, 0.00309328/step Wall: 1966.65, 0.00309328/step, 3.75404 hours remaining, 235.015625 MB of memory in use. ENERGY: 631000 4063.3313 20530.2627 14523.9192 252.3325 -202976.2361 2723.5342 0.0000 0.0000 51813.3098 -109069.5463 297.7718 -160882.8561 -108713.5211 299.5011 -99.7702 -68.8403 764782.9938 -7.4726 -7.7146 PRESSURE: 631200 -89.1741 56.9616 -14.57 56.9621 -370.986 4.45321 -14.5704 4.45261 -185.436 GPRESSURE: 631200 -106.54 -68.7548 6.06355 122.86 -263.008 1.96838 62.1514 31.1476 -183.01 PRESSAVG: 631200 -60.4602 -1.99505 29.8165 -1.99505 26.6604 -0.799462 29.8166 -0.79946 5.33091 GPRESSAVG: 631200 -61.0049 -2.9479 29.6614 0.209777 27.9124 -0.15346 30.5317 -2.14601 4.79737 TIMING: 631200 CPU: 1967.27, 0.00308869/step Wall: 1967.27, 0.00308869/step, 3.74829 hours remaining, 235.015625 MB of memory in use. ENERGY: 631200 4070.5241 20625.8927 14537.2580 262.3445 -203311.9029 2690.7839 0.0000 0.0000 51887.7644 -109237.3353 298.1997 -161125.0997 -108882.5886 298.6616 -215.1987 -184.1858 763619.1512 -9.4896 -9.4317 PRESSURE: 631400 167.948 13.6477 321.696 13.6485 -80.5562 -211.118 321.696 -211.118 242.52 GPRESSURE: 631400 226.149 45.7878 193.284 -79.8742 -58.9555 -140.316 222.51 -314.319 229.148 PRESSAVG: 631400 -52.444 -9.22033 -3.13087 -9.22033 62.2912 5.8055 -3.13082 5.80552 -23.5031 GPRESSAVG: 631400 -51.4237 -9.61173 -3.46318 -9.80886 61.0329 5.76527 -4.86679 4.76471 -23.1185 TIMING: 631400 CPU: 1967.89, 0.00310409/step Wall: 1967.89, 0.00310409/step, 3.76681 hours remaining, 235.015625 MB of memory in use. ENERGY: 631400 3961.5642 20497.8741 14516.6191 233.5567 -203770.3997 3179.6962 0.0000 0.0000 52039.7616 -109341.3278 299.0732 -161381.0894 -108977.7439 298.3866 109.9706 132.1138 762479.1490 -4.5520 -4.5031 PRESSURE: 631600 78.5107 62.0342 74.0999 62.0337 96.4466 228.587 74.1003 228.587 265.92 GPRESSURE: 631600 105.676 79.3184 65.721 24.464 115.491 138.439 122.518 128.48 312.419 PRESSAVG: 631600 19.7294 12.7756 -20.8552 12.7756 18.3147 -0.324688 -20.8551 -0.324598 -11.3123 GPRESSAVG: 631600 18.8036 14.0646 -21.9112 13.0962 18.2892 -1.65949 -19.8691 2.53897 -10.7569 TIMING: 631600 CPU: 1968.51, 0.00309474/step Wall: 1968.51, 0.00309474/step, 3.7553 hours remaining, 235.015625 MB of memory in use. ENERGY: 631600 4031.0987 20525.9047 14537.5758 235.0009 -203710.2702 3158.5963 0.0000 0.0000 51947.4170 -109274.6769 298.5425 -161222.0938 -108921.1532 299.1320 146.9593 177.8617 765061.1511 8.9106 8.7786 PRESSURE: 631800 -70.0677 159.759 -44.2149 159.759 -11.72 -321.521 -44.2146 -321.521 -62.0641 GPRESSURE: 631800 18.1407 89.5963 -20.7451 109.89 -58.1311 -341.031 -23.814 -418.596 -23.1428 PRESSAVG: 631800 -30.2165 -40.2 20.2078 -40.2 5.83131 -15.5336 20.2078 -15.5336 17.2967 GPRESSAVG: 631800 -30.6611 -43.54 20.4952 -38.5204 7.3642 -15.1036 21.4879 -17.8376 16.5103 TIMING: 631800 CPU: 1969.13, 0.00310393/step Wall: 1969.13, 0.00310393/step, 3.76627 hours remaining, 235.015625 MB of memory in use. ENERGY: 631800 3961.9932 20541.1746 14576.9394 240.9016 -203766.0806 3171.6129 0.0000 0.0000 52090.7947 -109182.6641 299.3665 -161273.4589 -108819.3188 299.2427 -47.9506 -21.0444 764700.1483 -2.3628 -2.2622 PRESSURE: 632000 89.9067 59.8471 284.167 59.8461 52.1627 254.062 284.168 254.062 -46.7791 GPRESSURE: 632000 109.01 -0.397 266.524 64.8177 73.5032 238.177 279.219 297.031 0.277046 PRESSAVG: 632000 -27.7045 -14.0104 25.6095 -14.0104 43.3923 -19.421 25.6095 -19.4209 36.7997 GPRESSAVG: 632000 -25.6033 -9.94449 24.6536 -17.7459 41.7474 -17.6584 24.9892 -21.2204 36.7988 TIMING: 632000 CPU: 1969.75, 0.00310538/step Wall: 1969.75, 0.00310538/step, 3.76786 hours remaining, 235.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 632000 3961.3201 20547.1691 14557.8408 247.8901 -203061.2314 2682.7194 0.0000 0.0000 52055.9929 -109008.2991 299.1665 -161064.2920 -108646.5875 299.1914 31.7634 60.9301 763455.9715 17.4958 17.6476 PRESSURE: 632200 -180.131 -248.241 -135.663 -248.239 -40.5673 -274.535 -135.663 -274.535 -70.7978 GPRESSURE: 632200 -221.127 -57.3533 -192.336 -300.722 58.0429 -227.485 -110.502 -239.558 -47.0348 PRESSAVG: 632200 -60.3298 -27.9855 38.9605 -27.9855 85.6353 -49.959 38.9605 -49.9589 0.452161 GPRESSAVG: 632200 -62.8446 -26.6995 42.6697 -25.9592 86.8377 -50.7409 37.1848 -45.8594 1.58552 TIMING: 632200 CPU: 1970.37, 0.00309315/step Wall: 1970.37, 0.00309315/step, 3.75285 hours remaining, 235.015625 MB of memory in use. ENERGY: 632200 3944.2931 20632.3123 14481.3310 225.8115 -203277.4898 3107.5880 0.0000 0.0000 51853.6335 -109032.5204 298.0035 -160886.1539 -108675.1184 299.2193 -97.1652 -70.0396 765105.2684 8.5859 8.5262 LDB: ============= START OF LOAD BALANCING ============== 1982.85 LDB: ============== END OF LOAD BALANCING =============== 1982.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1982.85 LDB: ============= START OF LOAD BALANCING ============== 1983.16 LDB: Largest compute 7052 load 0.031503 is 16.2% of average load 0.194999 LDB: Average compute 0.004386 is 2.2% of average load 0.194999 LDB: TIME 1983.16 LOAD: AVG 0.194999 MAX 0.215569 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.145 MB LDB: TIME 1983.16 LOAD: AVG 0.194999 MAX 0.215569 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.145 MB LDB: TIME 1983.16 LOAD: AVG 0.194999 MAX 0.215569 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.145 MB LDB: ============== END OF LOAD BALANCING =============== 1983.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1983.17 PRESSURE: 632400 -351.989 56.9819 -122.4 56.9816 -22.9463 -127.346 -122.401 -127.347 -163.48 GPRESSURE: 632400 -293.485 33.4494 -60.7369 102.949 -50.8737 -75.2417 -242.998 -85.308 -99.3631 PRESSAVG: 632400 -46.0166 -26.8248 -9.91526 -26.8248 9.18525 -31.9837 -9.9152 -31.9836 17.5981 GPRESSAVG: 632400 -44.9253 -28.4454 -11.6498 -25.9974 9.61452 -32.3944 -10.9108 -33.7185 16.7801 TIMING: 632400 CPU: 1971, 0.00316106/step Wall: 1971, 0.00316106/step, 3.83506 hours remaining, 233.734375 MB of memory in use. ENERGY: 632400 4031.7818 20492.5314 14429.5939 253.5947 -203084.2448 2786.4021 0.0000 0.0000 51816.0070 -109274.3339 297.7873 -161090.3409 -108921.6312 298.5196 -179.4718 -147.9072 764042.0940 -6.4111 -6.1769 PRESSURE: 632600 -194.174 86.3636 -141.313 86.3638 -39.1839 15.14 -141.313 15.14 -20.4627 GPRESSURE: 632600 -94.0581 138.699 -162.768 -49.5985 -82.3193 29.5546 -134.851 -19.288 25.1354 PRESSAVG: 632600 26.5556 -2.84823 14.3566 -2.84815 30.3421 -9.24769 14.3565 -9.24772 33.3484 GPRESSAVG: 632600 27.246 -3.01689 13.0855 -3.8757 28.2386 -9.25237 17.8411 -10.4332 34.7378 TIMING: 632600 CPU: 1971.62, 0.00310021/step Wall: 1971.62, 0.00310021/step, 3.76107 hours remaining, 233.734375 MB of memory in use. ENERGY: 632600 3912.6996 20625.1921 14520.7167 263.3523 -203151.5821 2716.8449 0.0000 0.0000 51868.4012 -109244.3753 298.0884 -161112.7765 -108888.8988 298.4728 -84.6067 -50.4140 764270.6991 30.0821 30.0741 PRESSURE: 632800 -60.0887 -27.1046 8.15594 -27.105 -70.0635 -111.451 8.1559 -111.448 139.546 GPRESSURE: 632800 -47.4101 -144.272 24.7716 39.5488 -34.5385 -216.34 -88.0296 -58.9965 159.1 PRESSAVG: 632800 27.5666 -64.7643 15.509 -64.7642 0.155264 -27.8048 15.509 -27.8048 -1.56608 GPRESSAVG: 632800 26.1084 -64.7924 16.285 -63.8401 1.85253 -26.9484 13.7414 -28.2211 -2.24472 TIMING: 632800 CPU: 1972.24, 0.00309654/step Wall: 1972.24, 0.00309654/step, 3.75645 hours remaining, 233.734375 MB of memory in use. ENERGY: 632800 3922.2015 20640.3159 14514.5299 248.1846 -203327.8681 2840.2967 0.0000 0.0000 51731.7331 -109430.6063 297.3030 -161162.3394 -109075.6343 298.1106 3.1313 25.7173 765505.8541 8.7186 8.5721 PRESSURE: 633000 -124.75 -30.3042 256.915 -30.3045 17.2269 -241.676 256.915 -241.677 180.699 GPRESSURE: 633000 -36.0138 -96.1433 178.346 39.5963 1.8519 -289.845 266.581 -130.616 216.87 PRESSAVG: 633000 -27.2195 -10.5694 46.7273 -10.5694 59.6627 -45.5342 46.7273 -45.5342 1.34883 GPRESSAVG: 633000 -27.5812 -9.99436 47.3961 -10.7763 60.8007 -43.9501 47.0268 -46.112 0.771876 TIMING: 633000 CPU: 1972.86, 0.00309213/step Wall: 1972.86, 0.00309213/step, 3.75093 hours remaining, 233.734375 MB of memory in use. ENERGY: 633000 3957.2635 20580.2333 14483.7244 257.1135 -203690.1775 3030.4623 0.0000 0.0000 51804.7652 -109576.6154 297.7227 -161381.3806 -109228.6729 297.9373 24.3921 60.9027 763415.8920 11.2640 11.3305 PRESSURE: 633200 -584.943 52.6917 -110.877 52.6913 -619.156 266.784 -110.877 266.783 -537.306 GPRESSURE: 633200 -520.39 -33.7116 -53.5034 101.601 -588.049 121.34 -165.957 166.672 -547.734 PRESSAVG: 633200 -54.3209 -16.1691 -14.3224 -16.1691 33.6537 -52.4946 -14.3224 -52.4945 -10.116 GPRESSAVG: 633200 -53.0767 -16.7008 -16.0065 -17.2839 31.3062 -53.0861 -12.0792 -52.7219 -9.64486 TIMING: 633200 CPU: 1973.48, 0.00309439/step Wall: 1973.48, 0.00309439/step, 3.7535 hours remaining, 233.734375 MB of memory in use. ENERGY: 633200 3980.5471 20468.9501 14527.5482 243.8970 -203050.5988 2457.5858 0.0000 0.0000 51685.1626 -109686.9081 297.0353 -161372.0707 -109322.5095 297.1814 -580.4683 -552.0573 767828.4867 -10.2611 -10.4718 PRESSURE: 633400 45.951 148.823 34.2305 148.823 -145.924 2.04514 34.2307 2.04409 -21.4652 GPRESSURE: 633400 44.7344 235.767 101.532 106.241 -118.001 -13.1939 34.6047 -77.8254 17.9306 PRESSAVG: 633400 -7.06098 -38.6236 27.213 -38.6236 -60.9966 -6.72566 27.213 -6.72571 -12.8411 GPRESSAVG: 633400 -8.15938 -38.8737 27.7447 -39.9116 -59.5092 -8.23338 24.8684 -6.69969 -13.4119 TIMING: 633400 CPU: 1974.1, 0.00310366/step Wall: 1974.1, 0.00310366/step, 3.76457 hours remaining, 233.734375 MB of memory in use. ENERGY: 633400 4023.5514 20554.4096 14446.3472 240.2929 -203941.4154 3364.0143 0.0000 0.0000 51648.9497 -109663.8503 296.8272 -161312.8000 -109318.6807 297.0968 -40.4794 -18.4454 764686.8375 -26.9662 -27.0268 PRESSURE: 633600 69.1781 32.5173 -40.9995 32.5171 43.4277 172.072 -41.0001 172.072 26.4276 GPRESSURE: 633600 105.535 26.5846 47.487 138.407 29.1062 130.917 -34.1053 85.3661 98.9107 PRESSAVG: 633600 61.9899 1.70624 -7.46071 1.70624 5.7584 -19.0283 -7.46065 -19.0284 16.1768 GPRESSAVG: 633600 61.9026 2.53619 -8.5359 4.03908 5.51287 -19.4522 -5.31139 -18.9061 16.677 TIMING: 633600 CPU: 1974.72, 0.00310958/step Wall: 1974.72, 0.00310958/step, 3.77158 hours remaining, 233.734375 MB of memory in use. ENERGY: 633600 4015.3312 20427.3131 14584.9685 245.8261 -203650.2233 3003.5880 0.0000 0.0000 51760.7654 -109612.4310 297.4698 -161373.1964 -109253.0209 297.4531 46.3445 77.8506 762796.3366 27.9750 28.0308 PRESSURE: 633800 -101.565 -222.901 -85.0896 -222.901 -173.218 117.404 -85.0896 117.404 -270.929 GPRESSURE: 633800 -20.6163 -204.552 -95.0438 -184.9 -144.739 98.3195 -37.7972 117.423 -319.516 PRESSAVG: 633800 85.2055 -24.9484 25.207 -24.9484 -86.2226 33.3734 25.2071 33.3734 6.85144 GPRESSAVG: 633800 85.0628 -24.4297 25.5154 -24.7338 -85.5036 32.9958 24.6631 35.8049 6.20573 TIMING: 633800 CPU: 1975.34, 0.00309754/step Wall: 1975.34, 0.00309754/step, 3.75681 hours remaining, 233.734375 MB of memory in use. ENERGY: 633800 3958.2099 20671.2003 14522.5904 244.3834 -203347.2580 2668.7582 0.0000 0.0000 52045.0266 -109237.0892 299.1035 -161282.1158 -108880.3220 298.4431 -181.9041 -161.6236 763051.9826 1.9448 1.9216 PRESSURE: 634000 129.795 174.289 -48.8243 174.288 101.779 -120.192 -48.8246 -120.192 199.583 GPRESSURE: 634000 70.9674 106.655 -34.12 200.739 152.952 -163.279 -131.952 -48.3447 280.213 PRESSAVG: 634000 7.88036 -13.6251 46.7338 -13.6251 -45.8767 -43.5212 46.7337 -43.5212 -1.91003 GPRESSAVG: 634000 7.85444 -14.1137 48.1773 -15.8834 -46.2131 -43.7262 43.4824 -45.8017 -1.80212 TIMING: 634000 CPU: 1975.96, 0.00309612/step Wall: 1975.96, 0.00309612/step, 3.7549 hours remaining, 233.734375 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: 634000 4059.9457 20492.6275 14554.9665 249.4386 -203012.8081 2578.5204 0.0000 0.0000 52024.7596 -109052.5497 298.9870 -161077.3094 -108689.7388 299.0157 143.7192 168.0443 762789.1206 -13.3021 -13.3869 PRESSURE: 634200 -230.999 -53.3425 36.3927 -53.3437 101.37 -145.14 36.392 -145.14 -149.126 GPRESSURE: 634200 -176.842 -62.756 -44.0843 -197.861 143.916 -99.1305 -63.1357 -96.7599 -173.379 PRESSAVG: 634200 27.2856 35.1652 7.74151 35.1653 0.28164 -36.3176 7.74151 -36.3176 -11.2168 GPRESSAVG: 634200 27.9554 32.807 7.08049 38.6491 -0.825598 -34.4256 9.03387 -35.7558 -10.9679 TIMING: 634200 CPU: 1976.58, 0.00309492/step Wall: 1976.58, 0.00309492/step, 3.75328 hours remaining, 233.734375 MB of memory in use. ENERGY: 634200 3992.7666 20736.3196 14518.4635 253.1545 -203189.8123 2699.6600 0.0000 0.0000 51942.1247 -109047.3234 298.5121 -160989.4481 -108685.2547 298.8891 -92.9183 -68.7683 764288.6898 5.4502 5.3873 PRESSURE: 634400 -264.708 55.7382 83.0405 55.7378 98.1937 -103.053 83.0411 -103.053 -29.2522 GPRESSURE: 634400 -197.073 87.9276 97.4597 18.375 102.546 -137.168 160.784 -41.477 -27.9624 PRESSAVG: 634400 -35.8404 -9.71496 44.5507 -9.71499 23.0194 1.31512 44.5507 1.31511 -16.3566 GPRESSAVG: 634400 -35.7658 -8.6228 44.97 -9.27167 23.5247 -0.462719 44.9334 2.9066 -17.0692 TIMING: 634400 CPU: 1977.2, 0.00308901/step Wall: 1977.2, 0.00308901/step, 3.74594 hours remaining, 233.734375 MB of memory in use. ENERGY: 634400 4014.6768 20491.6879 14581.0757 249.4095 -203168.6294 2819.4787 0.0000 0.0000 52266.7270 -108745.5739 300.3776 -161012.3008 -108380.7284 299.6083 -65.2554 -40.8299 764164.4319 -9.7259 -9.7701 PRESSURE: 634600 -50.7169 -100.504 -137.267 -100.503 37.2384 149.016 -137.267 149.018 190.836 GPRESSURE: 634600 -28.6039 -136.362 -141.562 -69.5564 26.1419 121.447 52.2822 111.584 269.486 PRESSAVG: 634600 -15.6273 -8.31513 22.2062 -8.31509 6.14517 -27.8348 22.2061 -27.8348 -25.0245 GPRESSAVG: 634600 -16.4498 -9.4834 21.5795 -8.75854 7.05859 -28.3556 24.5892 -27.3421 -24.5837 TIMING: 634600 CPU: 1977.82, 0.00309005/step Wall: 1977.82, 0.00309005/step, 3.74703 hours remaining, 233.734375 MB of memory in use. ENERGY: 634600 4065.1463 20634.1115 14521.5188 242.2725 -202786.3121 2606.2882 0.0000 0.0000 52035.3725 -108681.6024 299.0480 -160716.9748 -108320.8368 299.7296 59.1193 89.0081 764147.8714 -11.5022 -11.3250 PRESSURE: 634800 46.103 104.768 -94.3629 104.768 -459.033 227.744 -94.3623 227.744 -41.7057 GPRESSURE: 634800 24.1714 45.2053 -83.1253 151.051 -320.978 201.982 -137.662 130.26 -78.7029 PRESSAVG: 634800 53.9059 -13.4421 15.3602 -13.4421 -38.6904 0.643174 15.3602 0.643185 -3.77337 GPRESSAVG: 634800 53.9003 -12.3121 16.6477 -14.1248 -38.603 2.6369 13.106 -0.94213 -4.06026 TIMING: 634800 CPU: 1978.44, 0.00311603/step Wall: 1978.44, 0.00311603/step, 3.77836 hours remaining, 233.734375 MB of memory in use. ENERGY: 634800 4003.5321 20593.5526 14518.9818 239.4380 -203043.7212 2769.5599 0.0000 0.0000 52134.9686 -108783.6881 299.6204 -160918.6568 -108427.9006 300.2520 -151.5451 -125.1698 762889.0390 3.8141 3.7457 PRESSURE: 635000 -189.037 -2.86561 197.688 -2.86503 192.038 80.1272 197.688 80.1275 -212.213 GPRESSURE: 635000 -161.939 -105.238 138.746 33.0955 228.247 103.011 128.2 81.0622 -178.043 PRESSAVG: 635000 30.3285 -55.6596 42.8381 -55.6596 -22.8364 28.0185 42.8381 28.0185 -3.46026 GPRESSAVG: 635000 30.0189 -54.8912 43.9514 -56.2567 -21.8828 28.1677 41.1269 26.6503 -3.79828 TIMING: 635000 CPU: 1979.06, 0.00310194/step Wall: 1979.06, 0.00310194/step, 3.7611 hours remaining, 233.734375 MB of memory in use. ENERGY: 635000 4054.8352 20394.9363 14501.8305 262.7578 -203012.9407 3020.3119 0.0000 0.0000 51857.8647 -108920.4042 298.0279 -160778.2690 -108562.9639 299.2869 -69.7372 -37.2448 763329.0529 1.3439 1.4459 PRESSURE: 635200 265.889 138.286 -232.819 138.287 105.169 -327.137 -232.818 -327.136 114.341 GPRESSURE: 635200 262.294 104.477 -205.81 67.82 110.902 -289.198 -131.044 -332.327 208.474 PRESSAVG: 635200 41.4421 -35.1512 9.76117 -35.1512 -23.7294 -38.784 9.76117 -38.784 -5.95303 GPRESSAVG: 635200 43.239 -33.9901 7.17165 -35.7953 -24.2596 -40.9749 13.5747 -35.705 -6.93455 TIMING: 635200 CPU: 1979.68, 0.0031051/step Wall: 1979.68, 0.0031051/step, 3.76476 hours remaining, 233.734375 MB of memory in use. ENERGY: 635200 3953.6020 20382.7535 14523.6397 258.6903 -203150.5273 2852.4630 0.0000 0.0000 52209.8691 -108969.5098 300.0508 -161179.3789 -108609.7424 299.0981 161.7995 193.8897 763152.6397 3.9199 4.0150 PRESSURE: 635400 -185.932 -100.594 169.901 -100.594 -187.968 32.453 169.902 32.4516 393.728 GPRESSURE: 635400 -190.508 -56.0653 107.113 -173.637 -143.908 59.6268 101.067 171.053 459.147 PRESSAVG: 635400 -41.9745 -24.8435 22.6342 -24.8435 29.4229 -59.2721 22.6342 -59.2721 -2.45935 GPRESSAVG: 635400 -43.7537 -25.8021 25.1467 -25.359 30.293 -57.4733 18.7278 -59.9422 -1.62297 TIMING: 635400 CPU: 1980.3, 0.00309908/step Wall: 1980.3, 0.00309908/step, 3.75729 hours remaining, 233.734375 MB of memory in use. ENERGY: 635400 3993.8851 20479.6982 14492.5838 241.1361 -203305.1373 2893.4002 0.0000 0.0000 52188.6925 -109015.7414 299.9291 -161204.4339 -108652.7840 298.9499 6.6094 41.5769 762257.5594 -5.0037 -5.0279 PRESSURE: 635600 -1.2821 -307.098 170.109 -307.098 -204.314 -62.0908 170.109 -62.0908 80.7245 GPRESSURE: 635600 7.57377 -299.348 138.284 -230.266 -189.034 -1.23601 92.0033 -76.3189 134.934 PRESSAVG: 635600 64.8745 -29.6491 -30.8413 -29.6491 -49.2811 -25.2391 -30.8413 -25.2392 5.19274 GPRESSAVG: 635600 66.2061 -30.2183 -32.5898 -27.9879 -50.5602 -25.44 -27.495 -25.169 5.95662 TIMING: 635600 CPU: 1980.92, 0.00310511/step Wall: 1980.92, 0.00310511/step, 3.76443 hours remaining, 233.734375 MB of memory in use. ENERGY: 635600 4004.7768 20593.1336 14547.2500 266.6720 -202902.6965 2660.8857 0.0000 0.0000 51725.5947 -109104.3837 297.2677 -160829.9784 -108753.5079 298.9993 -41.6238 -15.5086 762589.5345 6.9287 7.2008 PRESSURE: 635800 -9.37216 177.955 -205.226 177.956 -206.723 232.567 -205.226 232.568 62.0302 GPRESSURE: 635800 59.579 122.647 -303.809 204.603 -228.084 117.873 -160.855 151.914 103.486 PRESSAVG: 635800 46.4801 -100.532 -2.87226 -100.532 -39.7755 31.2783 -2.8722 31.2781 -0.615697 GPRESSAVG: 635800 47.857 -100.346 -2.58279 -100.998 -41.2107 30.4013 -2.83304 30.4982 -0.627084 TIMING: 635800 CPU: 1981.54, 0.00310538/step Wall: 1981.54, 0.00310538/step, 3.76458 hours remaining, 233.734375 MB of memory in use. ENERGY: 635800 4002.6299 20486.3721 14508.5111 221.9427 -203064.4440 2642.2047 0.0000 0.0000 52222.7943 -108979.9892 300.1251 -161202.7836 -108612.8050 299.5309 -51.3549 -21.6729 762895.5116 2.0296 2.0064 PRESSURE: 636000 130.973 -43.2076 -91.7045 -43.2081 -152.051 263.058 -91.7039 263.058 481.749 GPRESSURE: 636000 97.2843 -213.195 -204.438 -40.4838 25.6543 299.345 -34.5817 196.309 416.53 PRESSAVG: 636000 19.6014 -83.0618 23.686 -83.0619 -8.47347 7.76054 23.686 7.76058 -1.99785 GPRESSAVG: 636000 18.4449 -83.8424 23.6173 -82.805 -6.99877 7.58123 22.7487 7.02469 -2.5295 TIMING: 636000 CPU: 1982.17, 0.00311291/step Wall: 1982.17, 0.00311291/step, 3.77354 hours remaining, 233.734375 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: 636000 3967.2853 20687.0258 14387.7418 250.3244 -203279.6386 2731.8240 0.0000 0.0000 52044.1083 -109211.3290 299.0982 -161255.4373 -108837.0711 299.2137 153.5567 179.8228 761412.4795 3.0434 2.9722 PRESSURE: 636200 -126.443 33.9456 47.0806 33.9454 -173.646 -99.7493 47.08 -99.7501 257.253 GPRESSURE: 636200 -68.3396 -24.1733 61.0824 12.0677 -92.2708 -68.7265 134.185 -14.6845 186.757 PRESSAVG: 636200 -47.1033 -50.9034 -10.5519 -50.9034 19.1251 -12.0042 -10.552 -12.0042 0.37938 GPRESSAVG: 636200 -48.6707 -51.4928 -9.27244 -51.4659 21.6872 -12.0727 -12.376 -10.1781 -0.420412 TIMING: 636200 CPU: 1982.79, 0.00310152/step Wall: 1982.79, 0.00310152/step, 3.75956 hours remaining, 233.734375 MB of memory in use. ENERGY: 636200 4009.5747 20551.6855 14535.2329 240.8204 -203414.0233 2929.6136 0.0000 0.0000 52122.5017 -109024.5944 299.5487 -161147.0961 -108663.0129 299.0820 -14.2786 8.7156 760211.8131 -9.1996 -9.1346 LDB: ============= START OF LOAD BALANCING ============== 1995.26 LDB: ============== END OF LOAD BALANCING =============== 1995.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1995.26 LDB: ============= START OF LOAD BALANCING ============== 1995.57 LDB: Largest compute 7052 load 0.029530 is 15.1% of average load 0.194947 LDB: Average compute 0.004365 is 2.2% of average load 0.194947 LDB: TIME 1995.58 LOAD: AVG 0.194947 MAX 0.213897 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.016 MB LDB: TIME 1995.58 LOAD: AVG 0.194947 MAX 0.213897 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.215 MB LDB: TIME 1995.58 LOAD: AVG 0.194947 MAX 0.213897 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.215 MB LDB: ============== END OF LOAD BALANCING =============== 1995.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1995.58 PRESSURE: 636400 -150.822 -121.317 43.347 -121.318 32.3523 54.3911 43.3473 54.3908 172.648 GPRESSURE: 636400 -90.131 -151.558 112.801 -154.415 31.2801 30.0231 3.81622 -65.7502 207.071 PRESSAVG: 636400 -6.69118 -72.2911 5.17034 -72.2911 17.6237 6.75207 5.17039 6.75206 3.66272 GPRESSAVG: 636400 -6.17956 -71.8734 4.80752 -72.1283 15.9766 7.24156 6.65617 5.87593 4.34606 TIMING: 636400 CPU: 1983.42, 0.00316052/step Wall: 1983.42, 0.00316052/step, 3.8309 hours remaining, 234.042969 MB of memory in use. ENERGY: 636400 4028.5958 20540.4911 14453.1192 256.1997 -203306.5130 2788.8412 0.0000 0.0000 52023.6888 -109215.5773 298.9809 -161239.2660 -108847.4974 299.0166 18.0594 49.4067 761876.2568 4.8651 4.7144 PRESSURE: 636600 -102.553 -160.453 -164.656 -160.452 96.3653 -41.843 -164.657 -41.8435 -594.2 GPRESSURE: 636600 -82.7459 -249.284 -144.39 -124.125 111.167 -6.45323 -178.955 31.195 -523.528 PRESSAVG: 636600 38.8859 -72.5567 -3.006 -72.5567 -45.6411 14.1386 -3.00603 14.1387 -15.8862 GPRESSAVG: 636600 39.1248 -73.1903 -2.21767 -71.834 -46.2162 13.8019 -3.85937 13.756 -15.5713 TIMING: 636600 CPU: 1984.04, 0.00308876/step Wall: 1984.04, 0.00308876/step, 3.74374 hours remaining, 234.042969 MB of memory in use. ENERGY: 636600 4105.4918 20592.2652 14464.1588 232.5549 -202913.7208 2653.4874 0.0000 0.0000 51718.7387 -109147.0239 297.2283 -160865.7626 -108789.4407 298.6073 -200.1293 -165.0354 763911.0637 -7.5471 -7.5542 PRESSURE: 636800 47.1932 1.82891 -257.401 1.82947 73.9967 86.2049 -257.402 86.2057 -38.3158 GPRESSURE: 636800 105.096 -45.673 -207.312 20.4735 65.5842 84.1658 -201.024 25.8153 6.42336 PRESSAVG: 636800 -2.32035 -15.5229 -28.0601 -15.5228 -6.58939 53.3201 -28.0601 53.3202 -22.2179 GPRESSAVG: 636800 -2.50957 -13.7088 -28.9677 -14.8645 -6.60767 54.8486 -30.0604 54.1073 -21.5688 TIMING: 636800 CPU: 1984.66, 0.00310961/step Wall: 1984.66, 0.00310961/step, 3.76885 hours remaining, 234.042969 MB of memory in use. ENERGY: 636800 4003.1950 20388.2851 14437.1615 237.6427 -203393.3871 3053.9004 0.0000 0.0000 52062.1399 -109211.0625 299.2018 -161273.2025 -108850.4929 298.6441 27.6247 59.0344 762986.8731 -10.3759 -10.2287 PRESSURE: 637000 -62.7691 -35.4701 15.2243 -35.47 164.541 31.0053 15.2238 31.0055 8.77638 GPRESSURE: 637000 44.975 -7.26376 36.014 7.28669 135.142 89.2571 -25.4898 43.7778 16.2747 PRESSAVG: 637000 36.1388 -27.7624 -16.4507 -27.7624 -46.4022 43.9177 -16.4506 43.9177 17.6322 GPRESSAVG: 637000 36.7195 -28.2667 -17.2488 -30.9286 -46.4455 43.6935 -13.1003 42.6836 17.1716 TIMING: 637000 CPU: 1985.28, 0.00309579/step Wall: 1985.28, 0.00309579/step, 3.75193 hours remaining, 234.042969 MB of memory in use. ENERGY: 637000 3979.7357 20535.5482 14507.3258 258.6768 -203010.5374 2679.3795 0.0000 0.0000 51900.3473 -109149.5240 298.2720 -161049.8713 -108794.5846 298.9732 36.8495 65.4638 764174.1737 2.4563 2.4819 PRESSURE: 637200 -45.7389 50.3777 248.213 50.3781 73.9322 -187.727 248.212 -187.726 -143.349 GPRESSURE: 637200 -87.5374 204.097 157.213 84.2162 157.736 -212.847 222.345 -218.248 -94.4071 PRESSAVG: 637200 15.4119 38.1492 -12.4038 38.1492 -37.5993 32.2316 -12.4037 32.2317 12.4989 GPRESSAVG: 637200 13.9029 37.802 -10.4434 39.3816 -36.3957 30.5097 -13.3448 33.4138 12.8302 TIMING: 637200 CPU: 1985.89, 0.00308572/step Wall: 1985.89, 0.00308572/step, 3.73955 hours remaining, 234.042969 MB of memory in use. ENERGY: 637200 3978.6571 20626.1997 14476.6091 234.6367 -203384.3939 2894.2228 0.0000 0.0000 51960.0015 -109214.0669 298.6148 -161174.0684 -108858.1560 298.6821 -38.3853 -8.0696 762384.4209 -3.2295 -3.2209 PRESSURE: 637400 -24.9928 -53.2298 96.1042 -53.2298 -5.94688 -100.642 96.1049 -100.643 -177.023 GPRESSURE: 637400 -8.47561 -27.6536 66.4389 -69.1434 30.9232 -144.479 214.248 -93.8525 -114.04 PRESSAVG: 637400 -36.0661 -51.1197 -12.5122 -51.1197 -29.6679 -25.8252 -12.5123 -25.8252 3.2202 GPRESSAVG: 637400 -35.9656 -51.856 -14.088 -49.7567 -28.8935 -26.6691 -11.4787 -25.2656 2.24301 TIMING: 637400 CPU: 1986.51, 0.00309995/step Wall: 1986.51, 0.00309994/step, 3.75662 hours remaining, 234.042969 MB of memory in use. ENERGY: 637400 4028.6490 20530.1792 14409.2444 259.0640 -203549.4360 3123.8439 0.0000 0.0000 52071.4550 -109127.0006 299.2554 -161198.4556 -108766.4886 298.5912 -69.3210 -30.5310 764459.4937 -20.8379 -20.8720 PRESSURE: 637600 10.2317 -208.648 -81.5173 -208.649 -433.672 -78.3438 -81.5174 -78.3438 241.667 GPRESSURE: 637600 -9.50313 -185.223 -212.107 -151.74 -357.652 -55.9228 -28.4135 -80.7555 271.232 PRESSAVG: 637600 21.3284 -64.5857 -38.1507 -64.5857 -9.70937 -35.2089 -38.1506 -35.2089 15.2605 GPRESSAVG: 637600 21.829 -63.7878 -38.6466 -64.4461 -11.2069 -33.4992 -38.9354 -34.4572 15.6283 TIMING: 637600 CPU: 1987.14, 0.00310492/step Wall: 1987.14, 0.00310492/step, 3.76248 hours remaining, 234.042969 MB of memory in use. ENERGY: 637600 3982.6749 20402.6797 14444.8542 243.9751 -202784.3749 2677.8202 0.0000 0.0000 51859.2529 -109173.1179 298.0358 -161032.3708 -108796.6955 298.5234 -60.5911 -31.9743 764342.5911 8.9598 8.7501 PRESSURE: 637800 -108.39 -114.385 -83.1334 -114.385 57.042 1.58821 -83.1327 1.58811 -100.646 GPRESSURE: 637800 -7.10135 -102.585 6.32501 -38.7224 43.4057 -23.6591 -90.7688 118.822 -112.6 PRESSAVG: 637800 23.4402 -69.427 24.9769 -69.4269 -16.2191 13.526 24.9769 13.526 8.53016 GPRESSAVG: 637800 24.0712 -69.5365 25.5838 -69.2606 -16.6456 14.9454 25.7672 12.5632 8.3453 TIMING: 637800 CPU: 1987.76, 0.0031155/step Wall: 1987.76, 0.0031155/step, 3.77512 hours remaining, 234.042969 MB of memory in use. ENERGY: 637800 3972.2129 20662.9491 14478.3357 240.1365 -202961.3501 2593.0773 0.0000 0.0000 51876.1767 -109138.4621 298.1331 -161014.6388 -108782.2784 299.1027 -50.6646 -25.4320 764917.5512 5.2504 5.2570 PRESSURE: 638000 -218.669 -71.4899 -57.7023 -71.4899 -82.3161 29.9263 -57.7022 29.9267 -79.2542 GPRESSURE: 638000 -165.173 13.5254 81.5151 -95.6498 -60.5876 54.3657 -54.9071 55.8954 -60.7103 PRESSAVG: 638000 47.8759 -68.0456 3.33292 -68.0456 -45.8843 9.0575 3.33291 9.05759 30.0298 GPRESSAVG: 638000 47.4794 -67.7978 6.4822 -70.5845 -45.5882 9.95941 -0.165356 9.23399 30.4149 TIMING: 638000 CPU: 1988.38, 0.00309453/step Wall: 1988.38, 0.00309453/step, 3.74954 hours remaining, 234.042969 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: 638000 4030.0424 20501.2081 14428.7191 247.5747 -202788.3361 2462.5978 0.0000 0.0000 52053.2359 -109064.9581 299.1507 -161118.1940 -108698.0126 298.8317 -126.7463 -95.4903 764470.0237 10.6738 10.7687 PRESSURE: 638200 228.353 67.3179 -48.1872 67.3178 234.896 -190.983 -48.1871 -190.983 98.7203 GPRESSURE: 638200 229.549 176.456 -58.431 74.1496 264.824 -177.319 -24.6248 -245.195 158.488 PRESSAVG: 638200 13.1722 -25.6836 -20.0437 -25.6837 3.54098 11.6725 -20.0437 11.6724 25.007 GPRESSAVG: 638200 13.8591 -24.7606 -22.468 -23.1675 2.26088 9.48958 -18.2121 13.0105 25.1461 TIMING: 638200 CPU: 1989, 0.00309754/step Wall: 1989, 0.00309754/step, 3.75301 hours remaining, 234.042969 MB of memory in use. ENERGY: 638200 3972.5096 20575.2019 14484.6432 257.6015 -203625.5818 3259.3292 0.0000 0.0000 52141.6548 -108934.6415 299.6588 -161076.2963 -108571.3607 299.3204 187.3232 217.6203 763980.9124 13.9067 13.7554 PRESSURE: 638400 -315.911 138.668 175.084 138.668 60.6877 13.8954 175.084 13.8955 56.4641 GPRESSURE: 638400 -284.258 178.846 221.374 169.309 147.007 47.8042 79.0108 -117.699 34.138 PRESSAVG: 638400 -22.2915 22.7985 -0.191906 22.7985 26.4152 -9.78991 -0.191961 -9.78996 -10.0335 GPRESSAVG: 638400 -23.3382 20.2505 0.248233 23.4238 29.2581 -11.6624 -2.035 -11.7156 -11.2491 TIMING: 638400 CPU: 1989.61, 0.00308702/step Wall: 1989.61, 0.00308702/step, 3.74009 hours remaining, 234.042969 MB of memory in use. ENERGY: 638400 4031.2474 20475.6516 14428.7238 248.5837 -203282.1885 2918.1822 0.0000 0.0000 52203.1347 -108976.6651 300.0121 -161179.7998 -108619.8626 298.7925 -66.2529 -34.3712 765482.8563 -1.9699 -1.7764 PRESSURE: 638600 -40.6361 -33.7635 -41.2991 -33.764 -217.491 106.877 -41.2988 106.878 50.0701 GPRESSURE: 638600 -13.8034 75.1543 -34.2994 2.34956 -131.79 155.367 -20.8679 120.004 38.1314 PRESSAVG: 638600 -15.9749 11.219 9.88443 11.219 1.52041 17.6448 9.88449 17.6448 -20.7746 GPRESSAVG: 638600 -15.4887 13.9452 10.3396 9.55794 0.0138142 19.3518 10.0301 16.7514 -19.5908 TIMING: 638600 CPU: 1990.24, 0.00310887/step Wall: 1990.24, 0.00310887/step, 3.76639 hours remaining, 234.042969 MB of memory in use. ENERGY: 638600 3931.8485 20531.9489 14512.0771 235.8410 -203195.5235 2976.8964 0.0000 0.0000 51864.2648 -109142.6468 298.0646 -161006.9116 -108776.9943 298.8327 -69.3522 -35.8206 765343.5566 -11.7430 -11.6886 PRESSURE: 638800 68.4323 -83.6193 -42.0028 -83.6191 147.023 142.194 -42.0028 142.194 -63.1459 GPRESSURE: 638800 221.349 -105.4 -35.4687 -23.3816 74.2985 123.859 -11.636 88.272 -66.7601 PRESSAVG: 638800 0.154223 -28.0899 17.6858 -28.0899 28.9013 60.9511 17.6859 60.9511 2.94658 GPRESSAVG: 638800 -0.490446 -29.5257 16.8575 -25.3653 30.0119 62.7973 20.2546 61.1887 2.48931 TIMING: 638800 CPU: 1990.86, 0.00310573/step Wall: 1990.86, 0.00310573/step, 3.76242 hours remaining, 234.042969 MB of memory in use. ENERGY: 638800 3953.3802 20752.4656 14416.6251 239.9963 -202978.9251 2785.6607 0.0000 0.0000 51856.4371 -108974.3600 298.0197 -160830.7971 -108612.5298 298.7753 50.7697 76.2959 764773.9419 10.6674 10.6703 PRESSURE: 639000 -97.5348 -60.8585 328.986 -60.859 167.738 2.39149 328.987 2.39151 435.032 GPRESSURE: 639000 7.26357 13.215 261.185 -119.611 151.004 -83.7192 192.587 -16.2872 433.474 PRESSAVG: 639000 23.2842 0.300593 28.702 0.300576 -16.9574 9.27969 28.702 9.27974 -15.8061 GPRESSAVG: 639000 23.1041 -1.44386 28.2279 -0.357655 -17.453 8.2369 28.3061 10.1208 -15.0126 TIMING: 639000 CPU: 1991.47, 0.00307134/step Wall: 1991.47, 0.00307134/step, 3.72059 hours remaining, 234.042969 MB of memory in use. ENERGY: 639000 3980.0170 20539.2576 14481.4604 252.1488 -203655.4212 3061.7669 0.0000 0.0000 52302.4661 -109038.3043 300.5830 -161340.7704 -108668.7405 299.2114 168.4117 197.2470 763955.0207 -3.1598 -3.1205 PRESSURE: 639200 -331.612 9.5692 114.83 9.56904 -510.119 125.415 114.83 125.415 -139.476 GPRESSURE: 639200 -332.75 9.65585 141.949 -87.1906 -477.303 39.676 126.785 105.109 -88.6628 PRESSAVG: 639200 56.2218 -2.75025 -26.6351 -2.75018 -85.821 -40.8202 -26.6351 -40.8203 -7.72893 GPRESSAVG: 639200 55.2843 -2.35533 -26.2046 -3.52037 -84.8153 -41.2793 -25.8653 -39.4136 -7.5975 TIMING: 639200 CPU: 1992.09, 0.00308956/step Wall: 1992.09, 0.00308956/step, 3.74248 hours remaining, 234.042969 MB of memory in use. ENERGY: 639200 3951.0800 20421.5989 14421.9063 236.3279 -202460.9091 2307.6077 0.0000 0.0000 51848.1480 -109274.2403 297.9720 -161122.3884 -108904.7000 298.7337 -327.0694 -299.5719 765711.4460 -12.4427 -12.3762 PRESSURE: 639400 -383.036 10.9175 241.763 10.9164 -29.854 -211.176 241.763 -211.176 -2.61868 GPRESSURE: 639400 -406.355 30.4896 241.929 29.0644 21.5934 -130.478 163.942 -174.933 34.1259 PRESSAVG: 639400 8.67411 -3.69742 -23.0169 -3.69745 -7.88993 -54.9537 -23.0169 -54.9537 8.12525 GPRESSAVG: 639400 9.21823 -1.21898 -22.8403 -2.33383 -7.98137 -56.6411 -24.8249 -56.1939 7.87553 TIMING: 639400 CPU: 1992.71, 0.00308894/step Wall: 1992.71, 0.00308894/step, 3.74156 hours remaining, 234.042969 MB of memory in use. ENERGY: 639400 4071.6540 20405.2761 14493.3397 254.5201 -202992.8070 2697.3840 0.0000 0.0000 51980.8139 -109089.8192 298.7345 -161070.6331 -108735.6482 298.8947 -138.5028 -116.8785 764965.3838 2.9698 3.0375 PRESSURE: 639600 -123.838 54.8906 -109.135 54.89 -317.767 2.02025 -109.135 2.02055 -398.292 GPRESSURE: 639600 -121.536 47.1196 -71.588 -36.8923 -240.755 -34.4084 55.6018 81.8454 -369.28 PRESSAVG: 639600 -48.9504 -37.4051 21.5243 -37.4051 20.2072 5.93843 21.5243 5.93836 29.4531 GPRESSAVG: 639600 -48.9574 -38.0535 23.218 -39.768 19.3668 8.89663 21.6525 5.3833 29.71 TIMING: 639600 CPU: 1993.32, 0.00308625/step Wall: 1993.32, 0.00308625/step, 3.73813 hours remaining, 234.042969 MB of memory in use. ENERGY: 639600 4041.8066 20529.4740 14566.7724 230.7310 -203345.5239 2581.8119 0.0000 0.0000 52411.4536 -108983.4744 301.2093 -161394.9280 -108615.2950 299.1665 -279.9656 -243.8571 763639.8656 0.2366 0.0398 PRESSURE: 639800 120.381 -87.8148 -16.0605 -87.8142 -235.726 4.42615 -16.0609 4.42629 -188.147 GPRESSURE: 639800 151.438 -180.701 -135.268 -40.4826 -227.306 -93.219 24.0614 -51.1655 -157.467 PRESSAVG: 639800 -28.6838 -33.742 -0.287142 -33.7419 -15.153 7.6531 -0.287226 7.65306 15.2305 GPRESSAVG: 639800 -27.6984 -36.1659 -1.35932 -30.5546 -16.0642 5.55904 -0.121506 8.25363 14.9337 TIMING: 639800 CPU: 1993.94, 0.00309998/step Wall: 1993.94, 0.00309998/step, 3.75459 hours remaining, 234.042969 MB of memory in use. ENERGY: 639800 4036.9196 20761.2393 14445.8331 243.8955 -203146.9128 2798.0324 0.0000 0.0000 52138.7082 -108722.2847 299.6419 -160860.9929 -108363.5920 300.3273 -101.1642 -77.7784 763266.7005 -9.5355 -9.6096 PRESSURE: 640000 -354.243 69.0657 81.3621 69.0659 -145.262 0.565511 81.3619 0.565968 -170.616 GPRESSURE: 640000 -353.53 13.1669 189.296 151.086 -12.8709 -32.6718 142.713 116.044 -236.4 PRESSAVG: 640000 -9.87073 18.1084 -1.59406 18.1084 46.4154 -7.77963 -1.59408 -7.77965 -22.1672 GPRESSAVG: 640000 -9.79838 20.411 -2.18605 13.3746 47.2757 -6.43348 -0.967513 -6.48131 -23.1321 TIMING: 640000 CPU: 1994.57, 0.0031075/step Wall: 1994.57, 0.0031075/step, 3.76353 hours remaining, 234.042969 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: 640000 4034.0930 20560.0082 14485.1815 254.5475 -202981.6729 2732.2180 0.0000 0.0000 52252.6030 -108663.0216 300.2964 -160915.6246 -108289.8860 299.9258 -223.3735 -200.9337 763606.4519 4.7925 4.7817 PRESSURE: 640200 -146.662 132.681 -21.4835 132.681 172.467 -10.6895 -21.4831 -10.69 -20.4239 GPRESSURE: 640200 -213.398 25.3476 -0.514113 74.1006 304.375 -11.1359 -127.842 71.0877 4.89486 PRESSAVG: 640200 -57.1599 10.4371 -49.2154 10.4372 14.1273 3.89519 -49.2153 3.89518 9.3913 GPRESSAVG: 640200 -59.3415 9.67838 -47.5915 12.9867 14.8709 2.14858 -49.9554 3.63245 10.2876 TIMING: 640200 CPU: 1995.19, 0.00310162/step Wall: 1995.19, 0.00310162/step, 3.75624 hours remaining, 234.042969 MB of memory in use. ENERGY: 640200 4123.3874 20675.8158 14492.8005 257.9475 -203361.2407 2969.0894 0.0000 0.0000 52270.3499 -108571.8500 300.3984 -160842.2000 -108217.4134 300.0336 1.7937 31.9574 764001.6509 -11.2138 -11.3943 LDB: ============= START OF LOAD BALANCING ============== 2007.66 LDB: ============== END OF LOAD BALANCING =============== 2007.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2007.66 LDB: ============= START OF LOAD BALANCING ============== 2007.97 LDB: Largest compute 7052 load 0.029221 is 15.0% of average load 0.194987 LDB: Average compute 0.004352 is 2.2% of average load 0.194987 LDB: TIME 2007.98 LOAD: AVG 0.194987 MAX 0.215233 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.555 MB LDB: TIME 2007.98 LOAD: AVG 0.194987 MAX 0.215233 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.555 MB LDB: TIME 2007.98 LOAD: AVG 0.194987 MAX 0.215233 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.555 MB LDB: ============== END OF LOAD BALANCING =============== 2007.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2007.98 PRESSURE: 640400 55.3604 -2.87322 46.0747 -2.87343 28.8334 15.5765 46.0737 15.5766 -21.9871 GPRESSURE: 640400 115.86 -35.0241 -23.2106 -59.1385 25.6255 95.2624 -49.7033 -45.5374 3.47796 PRESSAVG: 640400 -23.1502 -12.3904 20.8938 -12.3905 19.1061 38.3957 20.8938 38.3956 -4.28497 GPRESSAVG: 640400 -21.7578 -13.5834 19.7489 -11.5284 17.3807 39.6119 21.652 38.7633 -4.59373 TIMING: 640400 CPU: 1995.82, 0.0031597/step Wall: 1995.82, 0.0031597/step, 3.8264 hours remaining, 234.304688 MB of memory in use. ENERGY: 640400 4033.2982 20639.9449 14422.4657 235.2897 -202788.4685 2526.1326 0.0000 0.0000 52216.0396 -108715.2978 300.0863 -160931.3373 -108343.8372 300.5526 20.7355 48.3213 763939.2320 -2.7764 -2.9903 PRESSURE: 640600 -424.098 215.355 -199.762 215.355 -264.249 -134.417 -199.763 -134.417 -134.011 GPRESSURE: 640600 -427.909 268.11 -64.7247 109.848 -234.111 -21.703 -186.547 -147.668 -68.7598 PRESSAVG: 640600 -70.8909 -10.6206 -22.5732 -10.6206 82.4229 20.044 -22.5733 20.044 -30.1253 GPRESSAVG: 640600 -73.0264 -7.67874 -21.5254 -12.4573 84.0487 20.4578 -24.1697 17.7271 -29.4379 TIMING: 640600 CPU: 1996.44, 0.00309497/step Wall: 1996.44, 0.00309497/step, 3.74784 hours remaining, 234.304688 MB of memory in use. ENERGY: 640600 4006.8111 20576.0547 14459.4179 230.2049 -202841.8934 2770.6510 0.0000 0.0000 52210.6924 -108588.0614 300.0556 -160798.7538 -108217.5332 299.8019 -274.1197 -243.5934 765944.5260 -6.1978 -6.1385 PRESSURE: 640800 -292.2 75.6455 35.3629 75.6455 314.874 54.1016 35.3627 54.1013 -171.563 GPRESSURE: 640800 -109.649 150.155 -9.84821 95.0199 255.474 59.9348 9.68675 54.7702 -198.722 PRESSAVG: 640800 -15.226 -2.59675 -55.1697 -2.59677 -15.3209 28.1092 -55.1697 28.1092 -8.79205 GPRESSAVG: 640800 -11.8076 -3.74072 -57.0143 -1.24589 -16.2459 28.2021 -53.5996 28.8119 -10.6922 TIMING: 640800 CPU: 1997.06, 0.00311068/step Wall: 1997.06, 0.00311068/step, 3.76669 hours remaining, 234.304688 MB of memory in use. ENERGY: 640800 4015.4105 20803.0786 14486.6971 238.5644 -202526.3531 2319.8310 0.0000 0.0000 51993.9052 -108668.8664 298.8097 -160662.7716 -108302.8195 300.2322 -49.6299 -17.6325 763966.1457 -13.1130 -12.9152 PRESSURE: 641000 -246.484 49.4998 25.9107 49.5007 -125.558 61.7732 25.911 61.7739 -228.627 GPRESSURE: 641000 -195.568 -41.4123 124.069 79.8132 -152.561 30.1655 48.5263 45.0373 -183.334 PRESSAVG: 641000 20.943 48.2149 6.7493 48.2149 -12.4646 42.1252 6.74926 42.1252 12.613 GPRESSAVG: 641000 19.7053 46.9305 8.77651 50.4552 -12.9974 42.3483 5.15972 43.3532 13.9508 TIMING: 641000 CPU: 1997.68, 0.00309262/step Wall: 1997.68, 0.00309262/step, 3.74464 hours remaining, 234.304688 MB of memory in use. ENERGY: 641000 3961.7190 20615.5962 14379.4133 228.4980 -203076.1045 2782.5789 0.0000 0.0000 52200.8393 -108907.4598 299.9989 -161108.2991 -108537.0780 299.6326 -200.2231 -177.1545 764129.8824 7.0305 6.8862 PRESSURE: 641200 34.3809 124.345 -48.6679 124.345 -59.2826 30.5591 -48.6683 30.5584 228.089 GPRESSURE: 641200 72.2284 72.3319 -28.3624 133.337 -0.632453 78.46 -20.8094 -72.8421 219.659 PRESSAVG: 641200 -26.7106 23.4883 -12.5611 23.4883 -9.61789 3.6385 -12.5611 3.63853 -7.18056 GPRESSAVG: 641200 -26.3083 24.8006 -13.2197 19.7836 -9.29623 1.87978 -12.6821 3.78979 -7.44693 TIMING: 641200 CPU: 1998.3, 0.00309029/step Wall: 1998.3, 0.00309029/step, 3.74165 hours remaining, 234.304688 MB of memory in use. ENERGY: 641200 3964.8717 20699.4813 14479.0381 241.2044 -203109.2138 2924.9523 0.0000 0.0000 51997.2166 -108802.4495 298.8287 -160799.6661 -108443.0745 299.6100 67.7289 97.0851 764183.6617 -14.5030 -14.3505 PRESSURE: 641400 -172.413 99.9245 -81.8273 99.9244 -159.175 -199.119 -81.8272 -199.12 -92.4129 GPRESSURE: 641400 -93.4903 136.823 -174.756 120.534 -188.874 -326.474 -67.5378 -212.771 -76.0673 PRESSAVG: 641400 -30.3793 33.5436 -38.3502 33.5436 -11.4608 33.5738 -38.3502 33.5738 1.35607 GPRESSAVG: 641400 -29.8834 31.7082 -38.8161 35.0391 -11.3674 34.1416 -39.4651 32.084 0.96482 TIMING: 641400 CPU: 1998.91, 0.00308212/step Wall: 1998.91, 0.00308212/step, 3.73159 hours remaining, 234.304688 MB of memory in use. ENERGY: 641400 3944.9284 20722.2949 14509.3388 254.8419 -202633.2978 2449.1670 0.0000 0.0000 52106.3362 -108646.3905 299.4558 -160752.7267 -108300.5106 299.5639 -141.3337 -119.4771 765014.4302 -13.4947 -13.4287 PRESSURE: 641600 -23.7013 -112.119 -138.377 -112.119 -77.5658 -167.576 -138.377 -167.575 -287.623 GPRESSURE: 641600 48.2693 -138.645 -51.4539 -240.492 -142.587 -206.805 28.914 -27.0812 -217.497 PRESSAVG: 641600 36.6198 31.2029 -12.9821 31.2029 29.9703 10.9126 -12.9822 10.9126 14.2003 GPRESSAVG: 641600 35.9739 33.1323 -12.1549 30.6782 30.6447 9.87954 -9.99431 13.3886 14.2986 TIMING: 641600 CPU: 1999.53, 0.00308924/step Wall: 1999.53, 0.00308924/step, 3.74004 hours remaining, 234.304688 MB of memory in use. ENERGY: 641600 4007.9988 20759.7934 14465.0782 244.6699 -203084.5447 2915.5767 0.0000 0.0000 52055.4604 -108635.9671 299.1634 -160691.4276 -108283.2721 299.6150 -129.6300 -103.9381 763861.2743 26.9301 26.9724 PRESSURE: 641800 131.721 -81.1327 264.85 -81.1323 12.5104 -18.5429 264.85 -18.544 -448.495 GPRESSURE: 641800 128.224 -51.4388 266.082 4.24621 -36.9512 -52.1906 155.209 96.0963 -320.135 PRESSAVG: 641800 72.2214 20.1713 2.47265 20.1713 -19.3269 24.4418 2.47263 24.4417 26.7179 GPRESSAVG: 641800 71.8661 18.0145 0.838062 21.0668 -19.6297 24.6667 0.983814 23.5213 27.4726 TIMING: 641800 CPU: 2000.15, 0.00309223/step Wall: 2000.15, 0.00309223/step, 3.74349 hours remaining, 234.304688 MB of memory in use. ENERGY: 641800 4073.5443 20377.0719 14418.2104 240.3117 -203298.4235 3025.0570 0.0000 0.0000 52062.5777 -109101.6505 299.2043 -161164.2282 -108732.7646 299.2774 -101.4214 -76.2875 764764.1227 26.5375 26.5697 PRESSURE: 642000 -434.858 -157.68 31.7519 -157.68 -138.861 -206.954 31.7525 -206.954 156.061 GPRESSURE: 642000 -339.661 -177.794 50.5689 -209.09 -111.529 -241.525 6.09566 -80.328 129.863 PRESSAVG: 642000 17.0527 4.9605 38.128 4.9605 -24.6102 -6.64653 38.128 -6.6465 1.43631 GPRESSAVG: 642000 17.2721 5.17222 41.4454 4.81079 -24.4531 -7.68593 36.5546 -2.5411 0.923043 TIMING: 642000 CPU: 2000.77, 0.00309182/step Wall: 2000.77, 0.00309182/step, 3.74282 hours remaining, 234.304688 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: 642000 3999.9746 20356.3115 14453.7311 252.8762 -202615.7485 2488.6922 0.0000 0.0000 51801.0229 -109263.1399 297.7012 -161064.1628 -108899.5859 298.4274 -139.2193 -107.1090 764874.6450 -2.0404 -2.0860 PRESSURE: 642200 167.692 18.5229 -181.514 18.5224 -156.225 -69.9559 -181.514 -69.9559 93.1828 GPRESSURE: 642200 155.494 46.6832 -184.129 -8.83834 -46.9591 -76.2774 -117.155 -106.395 92.4282 PRESSAVG: 642200 -12.494 -101.254 53.2494 -101.254 1.76512 -45.1667 53.2495 -45.1667 0.369433 GPRESSAVG: 642200 -11.9177 -101.703 49.9885 -100.056 2.80099 -42.9331 53.9426 -49.6476 -1.31295 TIMING: 642200 CPU: 2001.39, 0.0030921/step Wall: 2001.39, 0.0030921/step, 3.74299 hours remaining, 234.304688 MB of memory in use. ENERGY: 642200 3923.7235 20361.8284 14421.7020 238.7328 -202977.0321 2577.4502 0.0000 0.0000 52048.9109 -109404.6843 299.1258 -161453.5952 -109042.3990 298.2035 34.8833 66.9876 762843.9211 -3.4532 -3.4765 PRESSURE: 642400 77.4135 95.6633 214.489 95.6641 -45.5221 -139.872 214.489 -139.873 281.81 GPRESSURE: 642400 187.926 74.6008 186.301 156.53 -6.40774 -104.381 183.616 2.91652 215.139 PRESSAVG: 642400 -17.4911 -16.2993 3.46475 -16.2993 33.6556 -24.2698 3.46473 -24.2699 -25.4115 GPRESSAVG: 642400 -17.5947 -16.7216 4.0448 -17.6736 31.0272 -23.8197 4.79926 -23.8552 -23.3372 TIMING: 642400 CPU: 2002, 0.00309327/step Wall: 2002, 0.00309327/step, 3.74423 hours remaining, 234.304688 MB of memory in use. ENERGY: 642400 3950.8479 20418.0026 14411.6775 243.4761 -203380.9062 2953.1126 0.0000 0.0000 51844.9487 -109558.8408 297.9536 -161403.7895 -109203.2469 297.8576 104.5670 132.2191 763534.3404 -3.0823 -3.3016 PRESSURE: 642600 144.669 210.178 72.2223 210.178 343.759 205.235 72.2213 205.236 204.518 GPRESSURE: 642600 180.949 266.605 50.4666 196.121 319.073 102.11 -15.2129 125.735 283.446 PRESSAVG: 642600 2.2766 12.0533 -7.39933 12.0533 -20.8849 27.6982 -7.39931 27.6982 2.77522 GPRESSAVG: 642600 2.62683 14.5364 -7.45125 11.8282 -20.5209 26.5453 -8.75634 27.7795 2.06483 TIMING: 642600 CPU: 2002.62, 0.0030885/step Wall: 2002.62, 0.0030885/step, 3.73828 hours remaining, 234.304688 MB of memory in use. ENERGY: 642600 3880.6220 20468.3393 14420.0729 241.3672 -202920.9238 2577.9227 0.0000 0.0000 51878.6906 -109453.9092 298.1475 -161332.5998 -109090.0252 298.0679 230.9821 261.1560 763334.5001 -5.2777 -5.2764 PRESSURE: 642800 34.7332 -61.4659 -94.3024 -61.4668 41.0453 240.439 -94.3036 240.438 585.784 GPRESSURE: 642800 144.154 -30.4351 -83.5866 -95.3889 29.1033 81.2836 -45.589 187.291 568.594 PRESSAVG: 642800 27.959 36.4475 -23.4335 36.4474 -26.4993 17.1873 -23.4336 17.1873 -15.5119 GPRESSAVG: 642800 27.945 34.4709 -23.4079 38.0868 -26.5633 17.4716 -23.5117 17.0037 -15.2911 TIMING: 642800 CPU: 2003.24, 0.00308601/step Wall: 2003.24, 0.00308601/step, 3.7351 hours remaining, 234.304688 MB of memory in use. ENERGY: 642800 3922.6527 20527.6047 14496.4852 236.8028 -203347.9268 2954.9924 0.0000 0.0000 51776.6837 -109432.7053 297.5613 -161209.3890 -109067.5964 298.5313 220.5209 247.2838 761583.2326 -4.6840 -4.6365 PRESSURE: 643000 67.728 116.847 -58.5907 116.847 -163.595 15.395 -58.5909 15.3937 296.37 GPRESSURE: 643000 20.7742 106.254 57.7147 84.4953 -65.265 13.5404 44.9745 -83.176 308.933 PRESSAVG: 643000 -14.8934 -6.57063 35.8544 -6.57064 14.2789 12.6883 35.8544 12.6883 11.1288 GPRESSAVG: 643000 -15.6392 -6.98504 35.7132 -8.01208 15.0601 12.7094 37.9946 9.71094 10.4623 TIMING: 643000 CPU: 2003.86, 0.00308379/step Wall: 2003.86, 0.00308379/step, 3.73225 hours remaining, 234.304688 MB of memory in use. ENERGY: 643000 3967.8122 20549.7707 14542.7128 272.2254 -203623.9573 2924.9212 0.0000 0.0000 52054.0705 -109312.4446 299.1555 -161366.5150 -108952.2257 298.6695 66.8342 88.1472 762084.4906 3.5048 3.2944 PRESSURE: 643200 -140.507 120.523 32.3255 120.523 22.8279 -38.8566 32.3256 -38.8564 -624.743 GPRESSURE: 643200 -59.5665 -26.2781 31.2183 37.0499 4.5696 -33.3195 94.7415 100.552 -637.001 PRESSAVG: 643200 3.79428 62.3981 14.723 62.3981 3.0974 -10.4878 14.723 -10.4877 -3.16696 GPRESSAVG: 643200 2.54665 64.6411 16.8229 60.6838 3.9936 -11.0027 13.2996 -9.19069 -2.97591 TIMING: 643200 CPU: 2004.47, 0.00308887/step Wall: 2004.47, 0.00308887/step, 3.73822 hours remaining, 234.304688 MB of memory in use. ENERGY: 643200 3983.0818 20535.7100 14495.7228 257.6803 -202983.2031 2758.7921 0.0000 0.0000 51697.1945 -109255.0216 297.1045 -160952.2161 -108889.8860 298.4053 -247.4741 -230.6660 765907.6897 1.2416 1.1881 PRESSURE: 643400 -231.742 -62.8238 210.029 -62.823 -68.465 -74.5213 210.028 -74.5208 -44.6587 GPRESSURE: 643400 -215.037 -193.739 218.997 -65.0074 -41.4895 -77.8357 117.321 -127.223 -10.9023 PRESSAVG: 643400 6.38279 9.35674 38.2738 9.35677 -5.76787 3.922 38.2738 3.92199 2.68691 GPRESSAVG: 643400 6.53269 8.31489 36.1514 10.7263 -6.67079 5.66609 36.6555 5.60715 3.03363 TIMING: 643400 CPU: 2005.1, 0.00310534/step Wall: 2005.1, 0.00310534/step, 3.75798 hours remaining, 234.304688 MB of memory in use. ENERGY: 643400 4028.2723 20582.5488 14442.2540 233.4650 -203064.9529 2653.9750 0.0000 0.0000 51905.9881 -109218.4497 298.3044 -161124.4378 -108858.6877 298.2388 -114.9554 -89.1429 764683.8010 1.1006 0.9652 PRESSURE: 643600 -501.146 -71.5905 101.238 -71.5906 -347.011 -79.9933 101.238 -79.9946 241.487 GPRESSURE: 643600 -417.224 51.6599 89.3668 -56.3661 -303.103 -8.6868 -4.51202 31.3867 234.295 PRESSAVG: 643600 11.1977 5.52571 11.4839 5.52582 4.17325 -8.38703 11.4839 -8.38717 15.9161 GPRESSAVG: 643600 11.8247 5.60402 11.3535 6.27794 4.3821 -10.0685 11.32 -8.63006 15.7766 TIMING: 643600 CPU: 2005.71, 0.00309556/step Wall: 2005.71, 0.00309556/step, 3.74597 hours remaining, 234.304688 MB of memory in use. ENERGY: 643600 4006.3530 20360.2276 14507.0438 263.5246 -203176.7778 2988.2106 0.0000 0.0000 52088.8916 -108962.5266 299.3556 -161051.4182 -108598.0455 298.7309 -202.2231 -162.0109 764854.4765 10.4290 10.6611 PRESSURE: 643800 143.553 78.7224 -107.749 78.722 166.67 95.2319 -107.749 95.2321 436.793 GPRESSURE: 643800 180.762 139.706 10.5493 85.321 198.855 134.065 -203.526 31.5549 442.686 PRESSAVG: 643800 -8.95665 -16.2929 50.9067 -16.2929 -20.8865 98.2455 50.9067 98.2456 -18.9238 GPRESSAVG: 643800 -8.85799 -15.39 51.17 -16.8106 -20.72 98.645 54.5582 97.2137 -19.0036 TIMING: 643800 CPU: 2006.33, 0.0030889/step Wall: 2006.33, 0.0030889/step, 3.73774 hours remaining, 234.304688 MB of memory in use. ENERGY: 643800 3985.1028 20373.5792 14559.0464 265.8533 -203649.5402 3283.9000 0.0000 0.0000 52125.1934 -109056.8652 299.5642 -161182.0586 -108697.7420 298.9178 249.0054 274.1014 764096.6526 -16.2556 -16.1939 PRESSURE: 644000 318.874 330.882 316.067 330.883 -1.13713 -42.8335 316.067 -42.8331 -203.667 GPRESSURE: 644000 365.048 138.838 360.533 144.399 38.6336 -14.3043 249.744 129.362 -220.649 PRESSAVG: 644000 -28.0577 -21.907 34.919 -21.907 -4.97412 77.2682 34.919 77.2682 17.5439 GPRESSAVG: 644000 -28.2466 -23.1708 34.9085 -20.7525 -4.53895 76.0708 33.0266 80.1508 17.0846 TIMING: 644000 CPU: 2006.95, 0.00309034/step Wall: 2006.95, 0.00309034/step, 3.73931 hours remaining, 234.304688 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: 644000 3938.3351 20433.2762 14488.0894 253.7967 -203029.0073 3010.5219 0.0000 0.0000 51836.4890 -109068.4991 297.9050 -160904.9880 -108709.5191 298.7420 38.0230 61.0109 765465.6796 -5.1626 -5.2337 PRESSURE: 644200 -243.32 -189.343 -287.657 -189.343 -430.986 16.4819 -287.657 16.4801 -525.401 GPRESSURE: 644200 -245.753 -155.222 -305.268 -135.837 -369.943 111.899 -285.287 -57.8677 -498.288 PRESSAVG: 644200 -20.3117 -10.6734 -16.834 -10.6735 16.0633 32.5222 -16.834 32.5223 -2.93569 GPRESSAVG: 644200 -19.4839 -9.10036 -17.4459 -13.8844 14.8637 32.8308 -18.0071 32.8255 -2.55681 TIMING: 644200 CPU: 2007.57, 0.00308425/step Wall: 2007.57, 0.00308425/step, 3.73178 hours remaining, 234.304688 MB of memory in use. ENERGY: 644200 4145.9594 20225.3403 14539.0863 230.8395 -202886.2135 2597.8525 0.0000 0.0000 51936.3224 -109210.8132 298.4788 -161147.1356 -108849.8406 298.7364 -399.9025 -371.3283 765265.6727 -2.3947 -2.3923 LDB: ============= START OF LOAD BALANCING ============== 2020.04 LDB: ============== END OF LOAD BALANCING =============== 2020.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2020.04 LDB: ============= START OF LOAD BALANCING ============== 2020.35 LDB: Largest compute 7052 load 0.030609 is 15.7% of average load 0.195097 LDB: Average compute 0.004380 is 2.2% of average load 0.195097 LDB: TIME 2020.36 LOAD: AVG 0.195097 MAX 0.216703 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.016 MB LDB: TIME 2020.36 LOAD: AVG 0.195097 MAX 0.216703 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.016 MB LDB: TIME 2020.36 LOAD: AVG 0.195097 MAX 0.216703 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.016 MB LDB: ============== END OF LOAD BALANCING =============== 2020.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2020.37 PRESSURE: 644400 -190.647 -6.39391 -141.439 -6.39389 177.747 93.1672 -141.439 93.1668 -80.2872 GPRESSURE: 644400 -62.5526 -11.7452 -146.881 48.8307 164.095 129.346 -160.833 -1.04005 -107.903 PRESSAVG: 644400 -31.1653 -26.7194 11.5722 -26.7194 60.1256 -32.0661 11.5722 -32.0661 -7.52155 GPRESSAVG: 644400 -31.3344 -26.8525 12.4261 -24.1321 60.0714 -32.8647 11.765 -31.8244 -7.23613 TIMING: 644400 CPU: 2008.2, 0.00316247/step Wall: 2008.2, 0.00316247/step, 3.82623 hours remaining, 235.714844 MB of memory in use. ENERGY: 644400 4008.1103 20317.9135 14423.3245 252.3133 -202801.0587 2733.4411 0.0000 0.0000 51934.5820 -109131.3741 298.4688 -161065.9561 -108774.6308 298.6952 -31.0622 -2.1200 763465.2079 7.1462 7.1670 PRESSURE: 644600 -193.651 65.9722 -164.011 65.9724 131.416 166.91 -164.011 166.91 -162.791 GPRESSURE: 644600 -90.7729 97.3121 -112.853 206.873 72.3248 97.0083 -63.2296 124.875 -126.506 PRESSAVG: 644600 -33.6772 45.7894 4.65999 45.7894 16.9435 -44.3959 4.66004 -44.3959 -11.3404 GPRESSAVG: 644600 -33.9482 44.2473 3.8771 46.3952 17.7589 -43.6554 6.702 -47.9916 -11.2642 TIMING: 644600 CPU: 2008.82, 0.00308762/step Wall: 2008.82, 0.00308762/step, 3.73551 hours remaining, 235.914062 MB of memory in use. ENERGY: 644600 4021.9488 20297.8406 14456.7881 240.1607 -202859.3506 2607.1967 0.0000 0.0000 52023.1790 -109212.2368 298.9779 -161235.4158 -108849.4299 298.3219 -75.0086 -48.3182 763477.9552 -9.3580 -9.1512 PRESSURE: 644800 -294.707 -59.2077 121.32 -59.208 -267.899 -28.0821 121.321 -28.0812 210.402 GPRESSURE: 644800 -227.832 -198.746 85.7971 -51.2838 -229.668 -94.3916 111.534 -171.756 160.238 PRESSAVG: 644800 -42.7858 4.76277 -2.90942 4.76274 41.2761 -29.1994 -2.90944 -29.1994 -0.280109 GPRESSAVG: 644800 -42.683 5.14707 -2.79763 4.33855 40.4208 -28.386 -3.66445 -27.8055 0.704615 TIMING: 644800 CPU: 2009.44, 0.00310916/step Wall: 2009.44, 0.00310915/step, 3.76139 hours remaining, 235.914062 MB of memory in use. ENERGY: 644800 3896.3632 20395.3112 14434.1863 258.8915 -202814.7837 2613.3525 0.0000 0.0000 51852.2259 -109364.4533 297.9955 -161216.6791 -109001.1234 298.1634 -117.4013 -99.0875 763639.6272 -0.5966 -0.5192 PRESSURE: 645000 -14.0365 129.405 241.286 129.405 -301.152 -120.556 241.287 -120.556 -163.075 GPRESSURE: 645000 -49.8024 216.096 252.834 50.0676 -210.945 -141.793 278.241 -201.662 -162.755 PRESSAVG: 645000 17.682 -85.9869 58.1514 -85.9868 -3.06372 -23.4979 58.1514 -23.4978 -2.2181 GPRESSAVG: 645000 16.0741 -83.876 58.0179 -87.8428 -1.76189 -24.8059 58.5036 -24.1407 -1.58913 TIMING: 645000 CPU: 2010.06, 0.00310343/step Wall: 2010.06, 0.00310343/step, 3.75428 hours remaining, 235.914062 MB of memory in use. ENERGY: 645000 3927.1656 20144.1433 14492.1058 251.0659 -202667.8739 2358.0424 0.0000 0.0000 51817.6372 -109677.7136 297.7967 -161495.3509 -109317.2692 297.4670 -159.4214 -141.1677 762894.6723 4.1334 4.2410 PRESSURE: 645200 -360.653 76.7639 -155.224 76.7641 -348.436 -327.156 -155.225 -327.156 -525.345 GPRESSURE: 645200 -263.723 56.3914 -182.401 44.2598 -383 -362.688 -289.001 -150.507 -486.71 PRESSAVG: 645200 -5.27919 -59.2935 -30.3278 -59.2935 9.66572 -43.935 -30.3278 -43.9349 -16.8537 GPRESSAVG: 645200 -3.0045 -60.6112 -30.188 -56.9876 9.16035 -42.9763 -29.664 -43.0558 -19.0128 TIMING: 645200 CPU: 2010.68, 0.00307898/step Wall: 2010.68, 0.00307898/step, 3.72454 hours remaining, 235.914062 MB of memory in use. ENERGY: 645200 3967.4233 20574.2537 14493.3371 252.3082 -202958.0312 2622.9045 0.0000 0.0000 51668.3740 -109379.4304 296.9389 -161047.8044 -109009.8359 297.7460 -411.4782 -377.8114 764163.5684 -4.1557 -4.2857 PRESSURE: 645400 -155.006 31.437 5.92214 31.4379 6.6248 118.122 5.92162 118.121 -249.965 GPRESSURE: 645400 -52.6395 75.6941 -14.2364 1.27299 -25.4108 91.0067 -112.336 51.7155 -197.356 PRESSAVG: 645400 -16.1142 14.2233 23.2308 14.2233 -8.44609 -30.0172 23.2307 -30.0171 16.3935 GPRESSAVG: 645400 -17.8858 13.4361 24.0455 12.9149 -8.02172 -29.9308 21.8306 -29.8911 18.2156 TIMING: 645400 CPU: 2011.29, 0.00309619/step Wall: 2011.29, 0.00309619/step, 3.74519 hours remaining, 235.914062 MB of memory in use. ENERGY: 645400 3923.0286 20565.1308 14485.7537 268.8574 -203382.2345 2773.1229 0.0000 0.0000 52059.6983 -109306.6428 299.1878 -161366.3412 -108953.8476 298.6719 -132.7821 -91.8021 763225.2882 -2.7223 -2.5640 PRESSURE: 645600 -18.5536 -398.129 22.0399 -398.128 154.303 151.733 22.0401 151.733 -34.8849 GPRESSURE: 645600 52.8646 -332.554 -26.376 -425.081 125.692 222.621 -22.0671 163.232 23.1557 PRESSAVG: 645600 12.5798 -44.8702 40.1342 -44.8703 3.76779 -1.24135 40.1342 -1.24137 23.6537 GPRESSAVG: 645600 14.249 -44.4802 39.6062 -45.3794 2.53596 -0.348904 40.8964 -2.85911 23.2452 TIMING: 645600 CPU: 2011.91, 0.00308915/step Wall: 2011.91, 0.00308915/step, 3.7365 hours remaining, 235.914062 MB of memory in use. ENERGY: 645600 3943.6266 20464.8373 14519.2149 251.2055 -203400.6380 2677.6879 0.0000 0.0000 52189.8142 -109354.2516 299.9356 -161544.0658 -108987.9177 298.7690 33.6217 67.2376 762493.1874 13.3337 13.3434 PRESSURE: 645800 100.735 -69.2356 -74.2075 -69.2368 -32.8597 207.282 -74.2072 207.283 -94.9248 GPRESSURE: 645800 189.526 -11.6496 -2.73252 57.1448 -80.0107 246.332 -72.0374 51.3214 -53.6038 PRESSAVG: 645800 -18.69 -30.4185 -19.0938 -30.4184 23.3536 33.5454 -19.0938 33.5454 18.728 GPRESSAVG: 645800 -19.0547 -27.8408 -18.0992 -29.4209 23.721 33.7509 -20.5063 33.8043 18.9031 TIMING: 645800 CPU: 2012.53, 0.00308646/step Wall: 2012.53, 0.00308646/step, 3.73308 hours remaining, 235.914062 MB of memory in use. ENERGY: 645800 3989.3455 20343.1112 14545.4745 243.2616 -203434.0838 2822.0489 0.0000 0.0000 52023.4762 -109467.3660 298.9796 -161490.8422 -109102.7294 298.3310 -9.0164 18.6372 763461.8174 7.7972 7.8565 PRESSURE: 646000 -311.648 -10.8253 -180.814 -10.8257 -71.5287 -53.2077 -180.814 -53.2071 -202.252 GPRESSURE: 646000 -300.249 31.4792 -146.878 -3.70992 -75.6348 -40.168 -166.229 11.1964 -132.34 PRESSAVG: 646000 41.1443 -41.0604 9.15267 -41.0604 -5.91454 7.24713 9.15263 7.2472 18.9786 GPRESSAVG: 646000 40.7205 -44.0021 8.48739 -41.4034 -5.64161 6.6447 9.62335 9.17903 19.2025 TIMING: 646000 CPU: 2013.15, 0.00309882/step Wall: 2013.15, 0.00309882/step, 3.74785 hours remaining, 235.914062 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: 646000 4015.9575 20427.5819 14476.2443 262.1165 -203107.0711 2479.7290 0.0000 0.0000 51871.1878 -109574.2541 298.1044 -161445.4419 -109216.2220 298.1667 -195.1429 -169.4078 763253.8839 18.0694 18.0938 PRESSURE: 646200 -322.448 -159.808 50.2464 -159.808 -20.7828 98.4229 50.2461 98.4227 -3.59015 GPRESSURE: 646200 -265.639 -1.1647 -4.68496 -219.775 33.6963 66.8649 6.87729 117.865 -34.3818 PRESSAVG: 646200 7.90265 -55.0539 23.3876 -55.0539 15.5814 -7.40239 23.3876 -7.40236 1.24165 GPRESSAVG: 646200 7.58523 -52.8548 24.5603 -55.5276 15.7154 -7.55759 23.509 -7.89318 1.53805 TIMING: 646200 CPU: 2013.77, 0.00308416/step Wall: 2013.77, 0.00308416/step, 3.72995 hours remaining, 235.914062 MB of memory in use. ENERGY: 646200 3946.9033 20582.8452 14478.5398 242.1861 -203502.0179 2897.3589 0.0000 0.0000 52108.2890 -109245.8957 299.4671 -161354.1847 -108885.3073 298.2861 -115.6071 -88.7749 762727.0324 8.2419 8.2796 PRESSURE: 646400 -103.883 -70.5464 -92.8645 -70.547 -46.4789 -278.541 -92.8639 -278.54 -20.0037 GPRESSURE: 646400 6.31723 -149.544 -119.673 49.4078 -48.491 -321.288 15.6151 -88.1932 -33.5589 PRESSAVG: 646400 -68.0358 -80.3525 -12.26 -80.3525 46.6861 -15.4011 -12.26 -15.4009 12.5595 GPRESSAVG: 646400 -67.9308 -81.2205 -12.01 -77.7572 46.7004 -15.2672 -12.8813 -16.6908 12.4757 TIMING: 646400 CPU: 2014.38, 0.00308675/step Wall: 2014.38, 0.00308676/step, 3.73292 hours remaining, 235.914062 MB of memory in use. ENERGY: 646400 3999.8691 20470.1804 14492.1166 242.4440 -203220.4501 2885.1178 0.0000 0.0000 51802.7134 -109328.0088 297.7109 -161130.7222 -108969.6087 298.3069 -56.7885 -25.2442 764813.2594 -2.9301 -2.9182 PRESSURE: 646600 -263.012 -8.81775 116.133 -8.81771 297.411 127.932 116.132 127.933 -183.915 GPRESSURE: 646600 -212.616 -9.70803 41.3146 -71.8137 297.282 129.884 107.746 103.944 -133.086 PRESSAVG: 646600 14.0036 5.65053 -6.41157 5.65049 13.2691 7.42205 -6.41158 7.42203 4.03086 GPRESSAVG: 646600 14.3289 5.94642 -7.42213 3.45407 13.9143 6.30577 -5.00576 8.81744 2.91905 TIMING: 646600 CPU: 2015, 0.00309419/step Wall: 2015, 0.00309419/step, 3.74173 hours remaining, 235.914062 MB of memory in use. ENERGY: 646600 3949.5485 20516.5237 14546.6016 252.1147 -203399.1582 3011.6708 0.0000 0.0000 51850.6051 -109272.0939 297.9861 -161122.6990 -108932.2852 298.4798 -49.8386 -16.1401 762908.0076 10.4345 10.3874 PRESSURE: 646800 37.1379 -8.35955 225.508 -8.3586 -225.304 74.9621 225.509 74.9618 33.9724 GPRESSURE: 646800 39.4257 -50.1627 110.357 94.8557 -87.4284 147.223 156.418 120.857 -17.7084 PRESSAVG: 646800 -30.5172 -17.5125 -25.6403 -17.5126 27.5046 -18.4648 -25.6404 -18.4648 -3.12995 GPRESSAVG: 646800 -31.5535 -17.6165 -25.4606 -15.517 27.4385 -17.8679 -25.9317 -19.9366 -1.84772 TIMING: 646800 CPU: 2015.62, 0.00307801/step Wall: 2015.62, 0.00307802/step, 3.722 hours remaining, 235.914062 MB of memory in use. ENERGY: 646800 3971.5114 20453.8350 14437.0371 253.0518 -203243.1812 2927.2110 0.0000 0.0000 51944.6643 -109255.8707 298.5267 -161200.5350 -108891.4263 298.6315 -51.3979 -21.9037 763142.7966 -2.0475 -1.9876 PRESSURE: 647000 -90.126 -0.742384 -110.985 -0.742456 255.463 -142.1 -110.985 -142.1 -132.736 GPRESSURE: 647000 -22.4423 31.1865 -117.243 -61.3566 193.315 -69.2629 -181.905 -49.5204 -45.9456 PRESSAVG: 647000 -48.0318 2.94526 -8.35564 2.94527 58.0136 37.7219 -8.35568 37.7219 10.8479 GPRESSAVG: 647000 -47.9309 1.91397 -7.66118 1.50294 58.2607 37.8308 -10.7048 39.9991 10.6257 TIMING: 647000 CPU: 2016.23, 0.00307957/step Wall: 2016.23, 0.00307957/step, 3.72371 hours remaining, 235.914062 MB of memory in use. ENERGY: 647000 4039.1910 20685.6283 14513.9779 251.1311 -203492.8066 2983.5134 0.0000 0.0000 52073.5091 -108945.8558 299.2672 -161019.3649 -108598.8473 299.2723 10.8669 41.6423 763781.7620 6.9432 6.9852 PRESSURE: 647200 -392.338 -187.704 -90.1117 -187.704 -314.561 285.507 -90.1127 285.508 -30.7701 GPRESSURE: 647200 -342.329 -146.888 -129.67 -93.8155 -283.341 212.199 18.4979 181.581 -36.0545 PRESSAVG: 647200 -40.9577 -28.4343 10.9744 -28.4343 35.0077 35.5192 10.9744 35.5193 -21.8974 GPRESSAVG: 647200 -39.5455 -27.0775 9.47391 -29.699 35.131 35.1999 14.2231 33.8574 -23.3782 TIMING: 647200 CPU: 2016.85, 0.00308721/step Wall: 2016.85, 0.00308721/step, 3.73278 hours remaining, 235.914062 MB of memory in use. ENERGY: 647200 4105.3788 20509.0191 14451.2112 260.9092 -203102.2755 2712.5592 0.0000 0.0000 51999.5836 -109063.6143 298.8423 -161063.1979 -108707.0143 299.4663 -245.8899 -220.5750 765088.7604 -9.2825 -9.2642 PRESSURE: 647400 120.198 -138.662 338.027 -138.661 127.906 -20.0734 338.027 -20.0742 -166.391 GPRESSURE: 647400 111.719 -104.092 339.818 -232.254 211.207 -56.5091 164.624 -71.2677 -158.251 PRESSAVG: 647400 33.1382 13.186 -26.721 13.186 -26.7403 11.319 -26.721 11.319 9.12582 GPRESSAVG: 647400 33.0822 13.6398 -26.2277 14.3958 -28.2407 10.1995 -27.3584 12.21 10.3569 TIMING: 647400 CPU: 2017.47, 0.00308896/step Wall: 2017.47, 0.00308896/step, 3.73472 hours remaining, 235.914062 MB of memory in use. ENERGY: 647400 4074.8152 20534.2304 14506.0002 248.6855 -203241.1691 2828.2022 0.0000 0.0000 52101.1026 -108948.1330 299.4258 -161049.2356 -108599.6280 299.1929 27.2376 54.8919 765278.3885 5.1746 5.0661 PRESSURE: 647600 14.2774 -82.6112 -104.541 -82.6115 -282.39 -18.7066 -104.54 -18.7074 296.359 GPRESSURE: 647600 28.6199 -36.5692 11.9763 -182.118 -257.735 11.6477 -87.4107 -87.4608 312.382 PRESSAVG: 647600 67.2314 -5.20564 -2.79572 -5.20567 -19.711 -10.186 -2.79574 -10.1861 -6.21002 GPRESSAVG: 647600 67.4983 -5.3934 -2.84956 -6.71068 -19.6997 -8.29634 -3.56965 -10.4824 -6.81381 TIMING: 647600 CPU: 2018.09, 0.00310372/step Wall: 2018.09, 0.00310372/step, 3.7524 hours remaining, 235.914062 MB of memory in use. ENERGY: 647600 3969.3188 20561.5919 14514.0358 248.6410 -203289.1799 2968.7124 0.0000 0.0000 52044.0802 -108982.7999 299.0980 -161026.8800 -108621.9062 299.4544 9.4153 27.7556 766214.5629 13.7701 13.6616 PRESSURE: 647800 8.80223 -13.2858 71.2958 -13.2864 -68.3238 -132.275 71.2959 -132.274 -106.349 GPRESSURE: 647800 23.6742 87.3198 -13.1025 -81.6969 -77.4365 -153.708 13.6945 -107.3 -22.6545 PRESSAVG: 647800 42.5008 3.47591 -4.92802 3.47589 -40.1383 12.9208 -4.92807 12.9208 7.35849 GPRESSAVG: 647800 40.7256 4.79724 -5.12117 4.84213 -38.532 10.6005 -6.40705 12.8271 7.74459 TIMING: 647800 CPU: 2018.71, 0.00311063/step Wall: 2018.71, 0.00311063/step, 3.76057 hours remaining, 235.914062 MB of memory in use. ENERGY: 647800 4100.7445 20704.4214 14502.8017 258.0641 -203061.4970 2849.8330 0.0000 0.0000 51774.2560 -108871.3764 297.5474 -160645.6323 -108509.0689 299.5011 -55.2901 -25.4723 765414.7045 3.2403 3.3127 PRESSURE: 648000 -58.6591 17.6549 6.83758 17.6546 -248.509 -29.0142 6.83736 -29.014 100.168 GPRESSURE: 648000 65.6771 -91.048 -16.4875 -132.68 -204.214 -42.5869 105.344 76.4733 35.5401 PRESSAVG: 648000 67.53 33.3559 65.1242 33.3559 -88.3531 15.3846 65.1242 15.3847 21.8436 GPRESSAVG: 648000 69.3987 31.3865 65.3128 31.4011 -89.6965 15.9518 66.0161 14.2773 21.7444 TIMING: 648000 CPU: 2019.34, 0.00312735/step Wall: 2019.34, 0.00312735/step, 3.78062 hours remaining, 235.914062 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: 648000 4055.4866 20668.4443 14408.5599 255.8109 -203325.6372 2862.7212 0.0000 0.0000 52144.1423 -108930.4719 299.6731 -161074.6142 -108573.0298 298.9969 -69.0000 -34.3324 764026.7548 0.3401 0.4822 PRESSURE: 648200 445.555 -249.587 -133.213 -249.587 12.6135 -36.872 -133.213 -36.8718 265.518 GPRESSURE: 648200 428.069 -299.686 -141.279 -214.811 56.0545 45.5362 -221.919 1.28124 308.536 PRESSAVG: 648200 25.4052 -29.2127 -71.2528 -29.2128 -16.1307 -4.8513 -71.2527 -4.85132 -8.16495 GPRESSAVG: 648200 24.018 -28.3645 -70.6147 -29.2063 -16.0693 -1.06913 -71.49 -6.79326 -7.94197 TIMING: 648200 CPU: 2019.96, 0.00312918/step Wall: 2019.96, 0.00312918/step, 3.78265 hours remaining, 235.914062 MB of memory in use. ENERGY: 648200 3959.3461 20569.7392 14537.0328 261.2915 -203594.1100 3168.7597 0.0000 0.0000 52017.1259 -109080.8148 298.9431 -161097.9407 -108717.1795 299.6024 241.2291 264.2200 762789.8179 0.3699 0.0022 LDB: ============= START OF LOAD BALANCING ============== 2032.44 LDB: ============== END OF LOAD BALANCING =============== 2032.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2032.44 LDB: ============= START OF LOAD BALANCING ============== 2032.75 LDB: Largest compute 7052 load 0.030015 is 15.4% of average load 0.195065 LDB: Average compute 0.004376 is 2.2% of average load 0.195065 LDB: TIME 2032.76 LOAD: AVG 0.195065 MAX 0.213434 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.684 MB LDB: TIME 2032.76 LOAD: AVG 0.195065 MAX 0.213434 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.887 MB LDB: TIME 2032.76 LOAD: AVG 0.195065 MAX 0.213434 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.887 MB LDB: ============== END OF LOAD BALANCING =============== 2032.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2032.76 PRESSURE: 648400 -202.59 -18.7198 97.632 -18.7189 -97.629 -56.0836 97.6322 -56.0846 -656.836 GPRESSURE: 648400 -153.062 -37.6795 1.38381 -3.22376 -174.225 -84.1916 259.437 43.2407 -564.203 PRESSAVG: 648400 -24.7144 -34.6469 3.64074 -34.6469 41.328 23.4923 3.64077 23.4923 8.8044 GPRESSAVG: 648400 -25.4863 -34.5225 2.77378 -31.8439 40.2083 21.6616 5.32733 25.3825 10.0016 TIMING: 648400 CPU: 2020.6, 0.00316556/step Wall: 2020.6, 0.00316556/step, 3.82646 hours remaining, 236.097656 MB of memory in use. ENERGY: 648400 3998.4563 20587.9280 14442.9915 232.3048 -203121.0214 2705.6319 0.0000 0.0000 52045.7817 -109107.9271 299.1078 -161153.7088 -108741.8393 299.1077 -319.0181 -297.1632 764191.0715 8.4727 8.2412 PRESSURE: 648600 106.465 75.2113 192.597 75.2118 66.9344 182.841 192.598 182.84 -41.3894 GPRESSURE: 648600 85.6547 36.1276 183.157 33.4638 129.639 78.7688 264.805 143.382 -6.96833 PRESSAVG: 648600 -29.3132 -0.539322 25.5353 -0.539225 64.1695 -43.2177 25.5353 -43.2177 -1.50474 GPRESSAVG: 648600 -29.4269 -0.923124 25.6749 -1.83571 65.5547 -43.9905 26.3387 -43.1701 -2.31868 TIMING: 648600 CPU: 2021.21, 0.00309083/step Wall: 2021.21, 0.00309083/step, 3.73596 hours remaining, 236.300781 MB of memory in use. ENERGY: 648600 3963.8649 20608.5357 14497.4669 246.1014 -203218.9895 2710.8095 0.0000 0.0000 52093.4287 -109098.7823 299.3817 -161192.2110 -108734.1908 298.8218 44.0033 69.4418 762734.0888 11.1172 11.2697 PRESSURE: 648800 137.254 5.7274 -53.7899 5.72779 66.7546 -88.6378 -53.7905 -88.6384 347.548 GPRESSURE: 648800 240.324 22.4652 -126.858 89.9596 43.6729 19.6489 -207.798 -168.101 349.612 PRESSAVG: 648800 17.5371 56.2873 59.97 56.2873 -2.83046 12.9895 59.97 12.9895 24.458 GPRESSAVG: 648800 19.8164 56.9197 60.2231 57.778 -3.34619 13.1552 59.6856 13.3335 22.9332 TIMING: 648800 CPU: 2021.83, 0.00310096/step Wall: 2021.83, 0.00310096/step, 3.74803 hours remaining, 236.300781 MB of memory in use. ENERGY: 648800 3949.7129 20633.4743 14417.6319 236.1164 -203565.0934 3232.1912 0.0000 0.0000 52125.7951 -108970.1716 299.5677 -161095.9667 -108606.1227 298.9171 183.8523 211.2030 763941.0219 13.0549 13.1345 PRESSURE: 649000 56.1604 21.2948 -160.562 21.2953 13.0287 2.64761 -160.562 2.64764 96.1737 GPRESSURE: 649000 110.23 -36.406 -64.2005 13.0065 -3.80116 20.0296 -112.08 -127.247 152.766 PRESSAVG: 649000 29.698 24.1172 -44.9263 24.1172 6.80922 -76.388 -44.9263 -76.388 -45.4687 GPRESSAVG: 649000 27.1332 23.7946 -45.7204 22.6739 7.51217 -76.6606 -45.6661 -76.2453 -43.647 TIMING: 649000 CPU: 2022.45, 0.00309417/step Wall: 2022.45, 0.00309417/step, 3.73965 hours remaining, 236.300781 MB of memory in use. ENERGY: 649000 3973.7637 20532.3443 14486.1057 250.9729 -203405.9528 3010.7894 0.0000 0.0000 52093.0683 -109058.9086 299.3796 -161151.9768 -108689.9172 299.0083 55.1209 86.3985 763193.7830 -2.9872 -3.0006 PRESSURE: 649200 -11.8926 -42.5374 41.3422 -42.5366 9.58413 128.879 41.3423 128.88 32.5788 GPRESSURE: 649200 -9.2837 -0.309207 -3.65391 -3.80067 -13.0247 103.741 58.2266 149.713 134 PRESSAVG: 649200 1.34587 33.1684 -7.76653 33.1684 25.1776 8.21788 -7.76654 8.21789 8.99479 GPRESSAVG: 649200 1.69355 34.1318 -6.72298 34.8165 25.0284 7.7016 -8.94851 7.76912 9.0995 TIMING: 649200 CPU: 2023.07, 0.00309876/step Wall: 2023.07, 0.00309876/step, 3.74502 hours remaining, 236.300781 MB of memory in use. ENERGY: 649200 3983.6705 20470.6637 14538.6866 261.5956 -203478.6889 3049.2465 0.0000 0.0000 52033.6821 -109141.1439 299.0383 -161174.8260 -108780.0866 298.7712 10.0901 37.2306 763661.0360 11.8394 11.9405 PRESSURE: 649400 2.46518 -189.918 328.548 -189.919 214.354 -50.7474 328.548 -50.7469 -405.586 GPRESSURE: 649400 -3.66906 -153.889 494.677 -98.2591 197.356 -17.9036 215.754 -113.699 -292.019 PRESSAVG: 649400 50.6985 36.8244 3.87729 36.8245 -16.6517 -32.2654 3.87729 -32.2654 -16.5039 GPRESSAVG: 649400 50.6176 35.4358 3.97598 36.2015 -15.5711 -31.3438 4.86125 -32.1982 -17.0659 TIMING: 649400 CPU: 2023.69, 0.0031009/step Wall: 2023.69, 0.0031009/step, 3.74744 hours remaining, 236.300781 MB of memory in use. ENERGY: 649400 4040.5372 20477.7147 14481.9327 252.5713 -203142.4957 2948.3470 0.0000 0.0000 51867.2924 -109074.1004 298.0820 -160941.3928 -108717.5058 299.5526 -62.9222 -32.7775 763738.2051 5.8476 5.9935 PRESSURE: 649600 195.01 20.4037 -143.217 20.4037 -388.898 -31.7714 -143.216 -31.7713 -108.717 GPRESSURE: 649600 83.8377 199.912 -211.671 -58.3455 -197.131 -59.0415 -108.066 -141.151 -115.607 PRESSAVG: 649600 69.1146 4.00806 -0.236435 4.00817 -79.8902 -18.5233 -0.236487 -18.5233 -9.81064 GPRESSAVG: 649600 69.6169 6.39191 -1.17787 3.40989 -79.0869 -18.9996 1.69898 -18.246 -11.353 TIMING: 649600 CPU: 2024.31, 0.00308515/step Wall: 2024.31, 0.00308515/step, 3.72823 hours remaining, 236.300781 MB of memory in use. ENERGY: 649600 3999.7598 20651.1424 14635.8228 251.2656 -203245.3254 2851.4243 0.0000 0.0000 52000.8512 -108855.0593 298.8496 -160855.9106 -108506.1518 299.1982 -100.8682 -76.3003 762789.1048 -6.8621 -6.9410 PRESSURE: 649800 -323.639 -54.6592 6.5896 -54.6593 -174.192 36.7594 6.59092 36.7601 101.171 GPRESSURE: 649800 -209.147 22.1812 -24.6525 -184.251 -234.805 95.6257 27.2836 41.2613 115.514 PRESSAVG: 649800 58.899 33.8774 -8.36828 33.8773 -13.7303 -14.1677 -8.36826 -14.1677 17.468 GPRESSAVG: 649800 59.1173 31.7665 -6.81093 35.4076 -14.8047 -13.3813 -11.3339 -14.4245 17.9486 TIMING: 649800 CPU: 2024.93, 0.00308366/step Wall: 2024.93, 0.00308366/step, 3.72626 hours remaining, 236.300781 MB of memory in use. ENERGY: 649800 3984.5110 20490.5336 14560.0364 236.3862 -202920.8758 2559.2167 0.0000 0.0000 52080.5343 -109009.6576 299.3075 -161090.1919 -108644.2826 299.5482 -132.2199 -109.4793 763396.0269 20.8789 20.7537 PRESSURE: 650000 80.2485 -103.748 -221.806 -103.746 -108.721 -157.903 -221.807 -157.902 -60.6988 GPRESSURE: 650000 46.2936 -94.8812 -89.5445 -189.618 -68.4249 -139.938 -247.895 -140.253 13.2801 PRESSAVG: 650000 2.40702 9.54379 45.2122 9.54371 -2.55301 35.0931 45.2122 35.0931 -17.1586 GPRESSAVG: 650000 2.02646 10.5777 43.1911 10.0957 -2.67603 34.7304 46.4386 35.8319 -16.7956 TIMING: 650000 CPU: 2025.54, 0.00307437/step Wall: 2025.54, 0.00307437/step, 3.71487 hours remaining, 236.300781 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: 650000 3967.9134 20491.4666 14501.1244 268.6035 -202914.8147 2459.8084 0.0000 0.0000 52179.3755 -109046.5230 299.8756 -161225.8985 -108684.1494 299.0129 -29.7239 -2.9504 762824.5808 -5.7682 -5.8150 PRESSURE: 650200 182.596 -68.7045 43.7709 -68.7043 17.8892 -244.466 43.77 -244.466 -50.9607 GPRESSURE: 650200 166.876 15.0867 -5.35002 -85.1238 66.2812 -235.095 120.734 -80.1599 -1.64948 PRESSAVG: 650200 18.1228 -10.73 -65.5061 -10.73 -48.112 -18.5138 -65.5061 -18.5139 17.0873 GPRESSAVG: 650200 18.2957 -9.26193 -66.5368 -11.2472 -47.5655 -19.8466 -65.1384 -19.1546 16.4602 TIMING: 650200 CPU: 2026.16, 0.00309621/step Wall: 2026.16, 0.00309621/step, 3.74108 hours remaining, 236.300781 MB of memory in use. ENERGY: 650200 3989.7651 20507.0749 14528.0174 263.1385 -203029.0274 2930.5150 0.0000 0.0000 51914.0602 -108896.4564 298.3508 -160810.5165 -108544.2102 299.5951 49.8414 77.1691 763210.8670 -4.3006 -4.2699 PRESSURE: 650400 6.87614 -92.6609 -198.024 -92.6602 -419.309 -162.463 -198.024 -162.463 -1.53972 GPRESSURE: 650400 108.487 -214.698 -188.498 -47.73 -390.412 -70.3406 -224.187 -110.082 -36.5298 PRESSAVG: 650400 61.5584 -22.7911 16.2979 -22.7911 -21.5462 -20.5337 16.2979 -20.5336 -2.72996 GPRESSAVG: 650400 62.1527 -22.999 19.1552 -24.3507 -21.5528 -17.4548 16.3965 -19.512 -2.85952 TIMING: 650400 CPU: 2026.78, 0.00308961/step Wall: 2026.78, 0.00308961/step, 3.73294 hours remaining, 236.300781 MB of memory in use. ENERGY: 650400 3979.7625 20702.4090 14499.2649 251.1022 -203453.7651 3044.5976 0.0000 0.0000 52083.5552 -108893.0737 299.3249 -160976.6289 -108535.1218 300.2101 -137.9908 -106.1517 763276.7821 12.4274 12.5801 PRESSURE: 650600 35.875 -24.53 -18.5102 -24.5307 -201.534 -185.746 -18.5102 -185.746 -47.2494 GPRESSURE: 650600 131.237 -28.5181 -16.7674 -16.4317 -213.228 -140.525 -41.8381 -173.423 -64.5232 PRESSAVG: 650600 7.64544 29.236 -13.5926 29.236 -70.5225 -48.1976 -13.5926 -48.1976 3.91941 GPRESSAVG: 650600 7.49056 27.1756 -13.1956 30.82 -70.5862 -50.6201 -15.7995 -46.7404 4.3183 TIMING: 650600 CPU: 2027.4, 0.00309064/step Wall: 2027.4, 0.00309064/step, 3.73401 hours remaining, 236.300781 MB of memory in use. ENERGY: 650600 3973.5919 20564.1257 14463.6091 249.9154 -202970.2797 2885.4660 0.0000 0.0000 52101.6828 -108731.8888 299.4291 -160833.5715 -108362.0364 299.2367 -70.9695 -48.8380 764883.9218 -19.6526 -19.5924 PRESSURE: 650800 83.9792 50.2561 -21.8686 50.2565 379.114 207.357 -21.8686 207.357 145.727 GPRESSURE: 650800 117.716 78.6163 55.0078 -34.1893 397.184 233.128 -47.9731 271.338 182.163 PRESSAVG: 650800 16.4134 -17.8168 -61.977 -17.8168 -40.8041 27.4603 -61.977 27.4603 9.99926 GPRESSAVG: 650800 16.0156 -17.2632 -62.5809 -17.0178 -40.9729 27.0728 -60.9271 28.2058 10.672 TIMING: 650800 CPU: 2028.01, 0.00308012/step Wall: 2028.01, 0.00308012/step, 3.72113 hours remaining, 236.300781 MB of memory in use. ENERGY: 650800 3964.7719 20571.5703 14501.1399 265.2021 -203088.7329 2997.5460 0.0000 0.0000 52058.3204 -108730.1823 299.1799 -160788.5027 -108378.6295 299.2561 202.9400 232.3543 762682.3810 -4.7971 -4.7618 PRESSURE: 651000 -256.692 -223.583 -16.4817 -223.583 -353.399 94.4005 -16.4821 94.3996 26.7275 GPRESSURE: 651000 -165.42 -112.186 -99.4111 -129.934 -335.418 133.978 16.6722 -50.0523 7.75151 PRESSAVG: 651000 -6.48249 14.1537 -24.8141 14.1536 9.87371 78.9011 -24.8141 78.9011 5.3612 GPRESSAVG: 651000 -5.63873 13.7647 -25.6587 13.0066 8.90067 79.5911 -25.4495 77.2144 5.21357 TIMING: 651000 CPU: 2028.63, 0.003101/step Wall: 2028.63, 0.003101/step, 3.74618 hours remaining, 236.300781 MB of memory in use. ENERGY: 651000 4003.6500 20438.8008 14446.7621 257.6802 -202801.2779 2713.3363 0.0000 0.0000 52307.6844 -108633.3641 300.6130 -160941.0485 -108261.4093 299.9383 -194.4544 -164.3621 766176.1632 2.9175 2.8252 PRESSURE: 651200 -152.507 -192.074 20.366 -192.073 -32.7521 -38.8752 20.3656 -38.8752 21.4097 GPRESSURE: 651200 -156.298 -181.007 128.271 -238.425 -13.6351 32.4083 60.4449 -62.0525 116.484 PRESSAVG: 651200 16.0621 -0.474716 27.1435 -0.474706 1.69398 0.488912 27.1435 0.488836 19.3396 GPRESSAVG: 651200 15.0446 0.055858 27.5049 -0.218571 1.60499 1.14931 27.8614 1.34302 20.5347 TIMING: 651200 CPU: 2029.25, 0.00309145/step Wall: 2029.25, 0.00309145/step, 3.73448 hours remaining, 236.300781 MB of memory in use. ENERGY: 651200 3915.1260 20584.4248 14422.8778 250.6634 -203005.2491 2693.1674 0.0000 0.0000 52422.9253 -108716.0644 301.2753 -161138.9897 -108349.6616 299.5753 -54.6164 -17.8164 763829.1477 12.3652 12.3948 PRESSURE: 651400 302.47 -10.9052 257.933 -10.9045 -67.4316 -18.0411 257.933 -18.0421 -81.844 GPRESSURE: 651400 368.535 -42.1994 231.267 -44.4179 -8.22085 30.2019 226.688 -55.6324 -117.715 PRESSAVG: 651400 1.39538 1.25349 -10.7767 1.25352 -19.0007 19.6631 -10.7767 19.663 12.0695 GPRESSAVG: 651400 0.594893 1.92462 -11.3149 1.90921 -17.4302 19.5986 -8.91533 17.943 11.121 TIMING: 651400 CPU: 2029.87, 0.00308404/step Wall: 2029.87, 0.00308404/step, 3.72535 hours remaining, 236.300781 MB of memory in use. ENERGY: 651400 4130.3929 20506.9495 14560.6435 233.7733 -203611.8434 3073.6586 0.0000 0.0000 52087.4277 -109018.9980 299.3472 -161106.4256 -108650.7203 299.4484 51.0648 80.8664 762785.0112 -1.8453 -1.9047 PRESSURE: 651600 9.17759 -182.774 317.822 -182.775 -186.025 -28.1668 317.822 -28.1671 -180.405 GPRESSURE: 651600 -19.2418 -125.507 303.52 -127.674 -102.79 20.6722 202.133 10.5141 -156.777 PRESSAVG: 651600 -38.0062 35.9947 8.56928 35.9947 50.006 -16.618 8.56929 -16.618 2.40433 GPRESSAVG: 651600 -37.5242 36.2857 9.95575 34.1541 49.5749 -16.5102 6.33399 -16.1519 2.68689 TIMING: 651600 CPU: 2030.49, 0.00308155/step Wall: 2030.49, 0.00308155/step, 3.72217 hours remaining, 236.300781 MB of memory in use. ENERGY: 651600 4001.4998 20491.9477 14494.4114 249.9707 -203125.7059 2896.1351 0.0000 0.0000 52297.9397 -108693.8015 300.5570 -160991.7411 -108328.4641 299.1664 -119.0842 -92.9362 763577.9439 4.8014 4.9125 PRESSURE: 651800 -203.733 19.6414 -64.7093 19.6416 -106.293 -209.202 -64.7086 -209.202 -10.9766 GPRESSURE: 651800 -305.939 222.829 -25.1888 5.99391 35.9681 -199.616 -71.8294 -88.5235 10.4425 PRESSAVG: 651800 42.6628 13.5841 10.5938 13.5842 7.33627 -39.7927 10.5939 -39.7927 8.56667 GPRESSAVG: 651800 41.4212 15.3629 10.1972 14.7183 7.50437 -42.2628 11.129 -38.7417 9.02883 TIMING: 651800 CPU: 2031.1, 0.00309472/step Wall: 2031.1, 0.00309473/step, 3.73791 hours remaining, 236.300781 MB of memory in use. ENERGY: 651800 4050.4977 20448.6046 14474.2730 244.8412 -203384.9338 2955.8585 0.0000 0.0000 52376.6263 -108834.2325 301.0092 -161210.8588 -108459.1233 299.2512 -107.0010 -86.5094 763811.0592 19.5219 19.3181 PRESSURE: 652000 -223.991 35.5548 12.0536 35.555 -411.65 -9.09028 12.0527 -9.09061 -173.407 GPRESSURE: 652000 -189.353 -1.91753 -12.6754 -48.6361 -351.483 -5.58511 2.72606 -47.6171 -192.683 PRESSAVG: 652000 9.61394 15.9778 28.9932 15.9778 -47.3173 -8.23757 28.9931 -8.23751 -14.3303 GPRESSAVG: 652000 11.0143 11.4489 29.572 16.8833 -47.7524 -7.09262 28.2412 -9.75822 -15.6807 TIMING: 652000 CPU: 2031.72, 0.00309072/step Wall: 2031.72, 0.00309072/step, 3.73291 hours remaining, 236.300781 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: 652000 3947.6045 20536.3507 14474.1427 255.9275 -202930.5395 2706.8464 0.0000 0.0000 52037.3148 -108972.3529 299.0592 -161009.6678 -108600.7381 299.1803 -269.6828 -244.5064 763240.9402 -17.3446 -17.4729 PRESSURE: 652200 119.759 -50.6354 200.223 -50.6354 -245.717 -50.5807 200.223 -50.5803 -252.691 GPRESSURE: 652200 117.012 -75.2234 208.853 -106.199 -158.469 -27.7958 206.262 52.3279 -255.545 PRESSAVG: 652200 -8.21594 -25.6989 -35.2845 -25.6988 8.92713 -51.2012 -35.2845 -51.2012 12.8659 GPRESSAVG: 652200 -9.52301 -24.1466 -35.6176 -26.8031 8.83138 -49.5775 -34.933 -52.6068 13.8178 TIMING: 652200 CPU: 2032.34, 0.0030994/step Wall: 2032.34, 0.0030994/step, 3.74322 hours remaining, 236.300781 MB of memory in use. ENERGY: 652200 3987.5049 20627.0875 14463.3814 236.8203 -203145.9370 2867.4375 0.0000 0.0000 52014.0971 -108949.6083 298.9257 -160963.7054 -108585.8642 299.1512 -126.2161 -99.0006 763923.3866 4.5257 4.3754 LDB: ============= START OF LOAD BALANCING ============== 2044.82 LDB: ============== END OF LOAD BALANCING =============== 2044.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2044.82 LDB: ============= START OF LOAD BALANCING ============== 2045.13 LDB: Largest compute 7052 load 0.030802 is 15.8% of average load 0.194978 LDB: Average compute 0.004381 is 2.2% of average load 0.194978 LDB: TIME 2045.13 LOAD: AVG 0.194978 MAX 0.215964 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.086 MB LDB: TIME 2045.13 LOAD: AVG 0.194978 MAX 0.215964 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.086 MB LDB: TIME 2045.13 LOAD: AVG 0.194978 MAX 0.215964 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.086 MB LDB: ============== END OF LOAD BALANCING =============== 2045.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2045.14 PRESSURE: 652400 -350.594 -12.7874 0.204989 -12.7874 106.003 -65.4793 0.204939 -65.4784 -166.974 GPRESSURE: 652400 -192.405 38.8586 69.4427 23.841 44.4992 -46.7463 -30.9907 -64.7144 -181.246 PRESSAVG: 652400 71.8704 36.4959 22.0663 36.4958 -17.5516 7.49811 22.0664 7.4981 -7.17494 GPRESSAVG: 652400 72.639 37.6556 21.4288 35.9375 -17.7081 6.82178 22.3272 10.4969 -8.5949 TIMING: 652400 CPU: 2032.97, 0.00315591/step Wall: 2032.97, 0.00315591/step, 3.81129 hours remaining, 234.816406 MB of memory in use. ENERGY: 652400 3965.7048 20503.1313 14388.5968 217.6896 -202733.3863 2584.6783 0.0000 0.0000 52078.8821 -108994.7036 299.2981 -161073.5856 -108638.4351 298.9593 -137.1886 -109.7175 764749.3356 15.7146 15.4453 PRESSURE: 652600 -286.179 -70.6029 106.204 -70.6015 108.442 -79.3378 106.203 -79.336 -35.6708 GPRESSURE: 652600 -221.161 27.0408 102.837 39.9065 64.9025 -110.756 149.107 -27.6442 36.9841 PRESSAVG: 652600 -41.3146 -25.9809 0.817604 -25.9809 -0.907612 -30.3396 0.817561 -30.3397 -18.3311 GPRESSAVG: 652600 -41.0471 -28.0526 0.205823 -24.7273 -0.918983 -29.4809 0.184094 -31.8786 -17.878 TIMING: 652600 CPU: 2033.59, 0.00308686/step Wall: 2033.59, 0.00308686/step, 3.72773 hours remaining, 235.015625 MB of memory in use. ENERGY: 652600 4028.0140 20591.8822 14371.4114 254.9475 -203139.7430 2947.3554 0.0000 0.0000 52074.7762 -108871.3562 299.2745 -160946.1324 -108513.2617 299.2026 -71.1360 -39.7581 764104.6879 -20.1844 -19.9480 PRESSURE: 652800 142.432 61.2907 75.3576 61.2904 -209.71 -141.398 75.3579 -141.397 329.393 GPRESSURE: 652800 120.088 127.769 139.389 -15.0039 -109.734 -153.863 -26.9819 -205.137 333.989 PRESSAVG: 652800 19.1903 -7.33395 54.0363 -7.33395 -52.5769 -38.4739 54.0364 -38.474 6.24942 GPRESSAVG: 652800 19.3407 -7.40922 56.0289 -7.83703 -53.403 -39.6983 54.3209 -39.3526 6.69 TIMING: 652800 CPU: 2034.21, 0.00309261/step Wall: 2034.21, 0.00309261/step, 3.7345 hours remaining, 235.015625 MB of memory in use. ENERGY: 652800 4047.8662 20544.1689 14418.0893 251.3862 -203330.0098 3087.8443 0.0000 0.0000 52235.1249 -108745.5299 300.1960 -160980.6548 -108389.5441 299.3902 87.3718 114.7810 764604.3498 -9.0457 -9.1241 PRESSURE: 653000 -246.534 -189.389 139.554 -189.389 -21.1698 184.184 139.554 184.184 37.9594 GPRESSURE: 653000 -164.933 -207.918 188.965 -161.017 22.2302 163.829 169.772 99.4884 3.2908 PRESSAVG: 653000 17.6225 -31.8855 -6.27278 -31.8855 -28.1862 -31.5193 -6.27274 -31.5193 17.5497 GPRESSAVG: 653000 17.4573 -30.0684 -9.01064 -32.5762 -26.9262 -32.6816 -3.78698 -30.084 16.1699 TIMING: 653000 CPU: 2034.83, 0.0031064/step Wall: 2034.83, 0.0031064/step, 3.75098 hours remaining, 235.015625 MB of memory in use. ENERGY: 653000 3986.8746 20564.9080 14382.3842 243.3164 -202953.5988 2972.6366 0.0000 0.0000 52207.9759 -108595.5031 300.0400 -160803.4790 -108244.6385 299.9621 -76.5815 -46.4707 764694.6226 2.3287 2.2337 PRESSURE: 653200 -395.57 -224.962 197.847 -224.962 -54.3268 -300.424 197.847 -300.424 -98.2736 GPRESSURE: 653200 -251.782 -108.943 250.287 -121.501 -102.931 -184.694 192.577 -191.054 -115.057 PRESSAVG: 653200 -74.0271 -14.6088 25.5735 -14.6088 -2.24893 -38.7834 25.5735 -38.7833 -0.565036 GPRESSAVG: 653200 -73.8153 -15.4877 28.65 -15.2054 -3.59228 -37.5219 22.8805 -38.4858 0.163179 TIMING: 653200 CPU: 2035.45, 0.00309838/step Wall: 2035.45, 0.00309838/step, 3.74113 hours remaining, 235.015625 MB of memory in use. ENERGY: 653200 3934.2477 20609.2971 14505.3816 259.5341 -202856.5432 2653.1003 0.0000 0.0000 52227.2238 -108667.7587 300.1506 -160894.9825 -108310.6176 299.5260 -182.7233 -156.5899 763779.7071 -25.6137 -25.7481 PRESSURE: 653400 21.9953 -112.346 140.974 -112.346 20.67 -141.371 140.974 -141.371 123.533 GPRESSURE: 653400 54.3394 -39.4599 161.843 -42.0575 78.4791 -150.085 157.927 -133.179 106.659 PRESSAVG: 653400 -1.44181 27.3827 40.5632 27.3827 10.1277 -21.8627 40.5631 -21.8627 -2.57209 GPRESSAVG: 653400 -0.895221 29.9134 37.875 27.9282 10.7336 -19.5146 43.1615 -23.3308 -3.46321 TIMING: 653400 CPU: 2036.07, 0.00309805/step Wall: 2036.07, 0.00309805/step, 3.74055 hours remaining, 235.015625 MB of memory in use. ENERGY: 653400 4006.3374 20477.0156 14474.6177 242.3299 -203296.6464 3056.1250 0.0000 0.0000 52299.1165 -108741.1042 300.5637 -161040.2207 -108373.3012 299.5876 55.3994 79.8257 764205.8350 2.0379 2.1250 PRESSURE: 653600 265.432 -50.9363 -94.5013 -50.9359 -190.744 17.6343 -94.5009 17.6345 335.235 GPRESSURE: 653600 215.185 -45.8829 -80.8939 -108.372 -118.726 -28.2602 -139.268 78.7652 420.366 PRESSAVG: 653600 33.2242 37.0786 6.24688 37.0786 -37.1588 16.0648 6.24685 16.0649 14.5789 GPRESSAVG: 653600 31.1637 35.6964 7.37184 37.389 -35.4316 13.6871 4.72621 17.1569 15.4146 TIMING: 653600 CPU: 2036.69, 0.00308877/step Wall: 2036.69, 0.00308877/step, 3.72918 hours remaining, 235.015625 MB of memory in use. ENERGY: 653600 3977.3391 20488.9642 14412.4187 270.0515 -203115.5035 3020.5692 0.0000 0.0000 52136.1020 -108810.0589 299.6269 -160946.1608 -108452.6401 299.8739 136.6411 172.2750 763233.6345 3.5481 3.7156 PRESSURE: 653800 70.8872 18.4346 -221.871 18.4351 31.7474 226.289 -221.871 226.289 -159.729 GPRESSURE: 653800 205.813 -4.37197 -178.399 31.8904 -11.6937 246.225 -174.42 195.036 -162.883 PRESSAVG: 653800 -9.89677 33.2813 -27.7696 33.2813 11.8341 29.4158 -27.7696 29.4158 -19.0966 GPRESSAVG: 653800 -9.18997 31.6043 -27.6958 32.3731 10.1215 29.0977 -26.8255 30.5346 -17.9581 TIMING: 653800 CPU: 2037.31, 0.00309028/step Wall: 2037.31, 0.00309028/step, 3.73082 hours remaining, 235.015625 MB of memory in use. ENERGY: 653800 3954.0185 20533.3788 14459.4644 267.4743 -203133.8870 2914.7577 0.0000 0.0000 52313.7215 -108691.0718 300.6477 -161004.7933 -108323.4936 299.9718 -19.0315 10.4121 764619.9635 -5.7197 -5.6755 PRESSURE: 654000 53.5868 58.8362 338.783 58.8355 -177.767 -21.2567 338.783 -21.2566 -4.69849 GPRESSURE: 654000 104.607 116.984 326.905 149.051 -172.169 22.0717 217.723 27.0252 27.9264 PRESSAVG: 654000 -19.0752 -28.6979 -50.6207 -28.6979 -2.02891 -13.086 -50.6208 -13.086 22.3557 GPRESSAVG: 654000 -19.0184 -27.4424 -51.2636 -28.9883 -1.38301 -12.272 -51.1949 -14.5492 21.6466 TIMING: 654000 CPU: 2037.92, 0.00309418/step Wall: 2037.92, 0.00309418/step, 3.73536 hours remaining, 235.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 654000 3931.6452 20572.2218 14404.7490 231.9565 -203254.2959 2951.3727 0.0000 0.0000 52271.6700 -108890.6808 300.4060 -161162.3508 -108527.6785 299.3310 -42.9595 -13.2116 763201.8033 0.4172 0.4151 PRESSURE: 654200 128.259 293.527 160.264 293.527 98.1921 -182.451 160.264 -182.451 216.922 GPRESSURE: 654200 221.546 261.292 208.013 222.857 123.608 -193.623 218.924 -113.062 190.03 PRESSAVG: 654200 0.559605 5.18663 50.8435 5.18661 -9.93911 -17.3281 50.8435 -17.3282 16.9872 GPRESSAVG: 654200 1.07525 5.67182 52.061 4.6961 -9.8312 -16.6366 50.0769 -18.4896 16.6556 TIMING: 654200 CPU: 2038.54, 0.0030928/step Wall: 2038.54, 0.0030928/step, 3.73352 hours remaining, 235.015625 MB of memory in use. ENERGY: 654200 3924.3345 20392.2927 14329.6569 227.0109 -203029.9528 2649.2717 0.0000 0.0000 52213.8481 -109293.5381 300.0737 -161507.3862 -108928.4808 299.0384 147.7910 178.3945 763862.2775 2.5359 2.6332 PRESSURE: 654400 -357.699 51.9796 -316.32 51.9789 13.9294 50.1459 -316.321 50.1464 -182.695 GPRESSURE: 654400 -463.193 150.563 -328.423 -37.2698 162.22 45.7985 -293.335 168.594 -135.277 PRESSAVG: 654400 1.99974 10.1313 -19.4745 10.1313 -33.3149 -10.5106 -19.4745 -10.5106 -5.35179 GPRESSAVG: 654400 1.42412 9.58203 -20.0803 10.6334 -33.1824 -11.2074 -18.0619 -9.24748 -4.63988 TIMING: 654400 CPU: 2039.16, 0.00309404/step Wall: 2039.16, 0.00309404/step, 3.73485 hours remaining, 235.015625 MB of memory in use. ENERGY: 654400 4087.0339 20420.8118 14437.2173 254.7297 -202910.2788 2660.8204 0.0000 0.0000 51718.2618 -109331.4038 297.2256 -161049.6656 -108961.7359 298.3050 -175.4879 -145.4167 764746.2238 -12.2223 -12.1327 PRESSURE: 654600 42.6756 107.544 118.811 107.543 -33.3328 -22.3157 118.81 -22.3156 230.837 GPRESSURE: 654600 106.425 30.5399 81.6322 76.8548 -34.6379 9.85472 115.419 17.8173 243.523 PRESSAVG: 654600 -76.9707 -11.3388 19.6695 -11.3388 25.582 26.0716 19.6695 26.0716 4.1186 GPRESSAVG: 654600 -77.5172 -11.2953 19.4468 -11.8901 26.2212 26.5478 19.4285 27.0371 3.92188 TIMING: 654600 CPU: 2039.78, 0.00310145/step Wall: 2039.78, 0.00310145/step, 3.74362 hours remaining, 235.015625 MB of memory in use. ENERGY: 654600 4065.3435 20636.3792 14384.3188 256.8560 -203079.9501 2655.2172 0.0000 0.0000 52015.4467 -109066.3886 298.9335 -161081.8353 -108717.1769 298.7020 80.0599 105.1035 763547.9844 -15.7567 -15.7914 PRESSURE: 654800 -162.022 -74.4376 107.865 -74.4385 -251.036 95.3346 107.866 95.334 -131.922 GPRESSURE: 654800 24.2453 -87.5767 71.8919 -71.5664 -251.085 77.4895 179.135 201.313 -235.172 PRESSAVG: 654800 -20.7567 16.0284 20.6076 16.0285 0.0862815 30.1466 20.6075 30.1466 4.83031 GPRESSAVG: 654800 -19.717 15.3019 19.8475 17.8786 -0.760066 29.965 19.4498 28.89 4.22256 TIMING: 654800 CPU: 2040.4, 0.0030913/step Wall: 2040.4, 0.0030913/step, 3.7312 hours remaining, 235.015625 MB of memory in use. ENERGY: 654800 3957.6508 20649.9483 14487.8799 243.5413 -203195.7104 2804.9649 0.0000 0.0000 52090.8865 -108960.8387 299.3670 -161051.7253 -108601.6618 299.2027 -181.6603 -154.0038 763836.9034 -5.2800 -5.4182 PRESSURE: 655000 124.983 -204.44 93.0037 -204.439 67.0743 -142.247 93.0046 -142.246 54.091 GPRESSURE: 655000 106.645 -42.8976 135.576 -65.9229 101.616 -140.17 10.3069 -30.2708 101.616 PRESSAVG: 655000 56.0431 34.0576 24.746 34.0576 -23.6123 20.3524 24.746 20.3524 -0.390918 GPRESSAVG: 655000 56.2046 34.6262 25.8779 32.8799 -23.545 18.3954 24.6882 21.4384 -0.709364 TIMING: 655000 CPU: 2041.02, 0.00310221/step Wall: 2041.02, 0.00310221/step, 3.7442 hours remaining, 235.015625 MB of memory in use. ENERGY: 655000 3926.9684 20499.2458 14466.4256 255.2692 -202669.6207 2584.9039 0.0000 0.0000 51898.3328 -109038.4750 298.2604 -160936.8077 -108682.8543 298.7029 82.0493 103.2923 765232.9712 10.6800 10.6501 PRESSURE: 655200 -57.9576 -54.3873 11.8413 -54.3881 -306.779 84.4468 11.8412 84.4481 -140.835 GPRESSURE: 655200 -42.2812 -39.8043 -44.866 -113.372 -210.236 -3.16927 31.5463 23.7447 -162.609 PRESSAVG: 655200 -29.5182 -16.1264 -8.0414 -16.1264 1.28639 2.41975 -8.04133 2.4197 0.410224 GPRESSAVG: 655200 -30.3351 -16.9189 -9.1637 -14.1826 1.87679 4.01091 -6.09283 -0.0848084 0.906428 TIMING: 655200 CPU: 2041.64, 0.00310614/step Wall: 2041.64, 0.00310614/step, 3.74877 hours remaining, 235.015625 MB of memory in use. ENERGY: 655200 3927.4497 20565.5673 14454.9476 245.1903 -202625.5071 2521.6269 0.0000 0.0000 51923.4109 -108987.3144 298.4046 -160910.7252 -108625.8999 298.5952 -168.5239 -138.3753 766591.5048 -9.2739 -9.1840 PRESSURE: 655400 222.386 -140.552 104.197 -140.552 174.539 112.978 104.196 112.978 234.588 GPRESSURE: 655400 300.492 -131.505 82.3073 -236.171 224.833 62.3035 107.855 108.964 187.041 PRESSAVG: 655400 36.9915 -20.9025 15.2507 -20.9024 -17.7397 33.3612 15.2507 33.3612 5.12827 GPRESSAVG: 655400 35.8636 -21.6003 17.0318 -23.4084 -17.0035 33.4969 13.367 34.6189 5.24854 TIMING: 655400 CPU: 2042.27, 0.00312559/step Wall: 2042.27, 0.00312559/step, 3.77207 hours remaining, 235.015625 MB of memory in use. ENERGY: 655400 3988.4725 20583.4575 14423.2312 248.7111 -203865.8246 3446.2822 0.0000 0.0000 51914.7166 -109260.9535 298.3546 -161175.6701 -108900.6899 298.6286 210.5044 237.4552 762775.9624 8.1267 8.0362 PRESSURE: 655600 -247.595 -173.658 -261.655 -173.658 24.0526 -71.7987 -261.656 -71.8 78.9678 GPRESSURE: 655600 -169.893 -118.506 -254.939 -156.019 94.354 -62.0381 -346.541 -10.4214 8.50917 PRESSAVG: 655600 13.7006 -25.4726 43.1702 -25.4725 18.8505 16.6369 43.1701 16.6369 -12.0268 GPRESSAVG: 655600 14.9141 -26.4477 42.8846 -24.7168 17.9801 16.7897 42.56 15.1662 -12.0553 TIMING: 655600 CPU: 2042.89, 0.00309918/step Wall: 2042.89, 0.00309918/step, 3.74002 hours remaining, 235.015625 MB of memory in use. ENERGY: 655600 3987.1904 20596.7335 14495.5612 249.0927 -203540.2937 3033.2476 0.0000 0.0000 51767.7843 -109410.6840 297.5102 -161178.4683 -109053.6128 298.6382 -48.1916 -22.3431 764592.6181 6.8414 6.9463 PRESSURE: 655800 16.8869 107.34 -11.1819 107.339 -173.7 -98.6547 -11.1836 -98.6542 -276.026 GPRESSURE: 655800 20.0282 125.943 -15.2068 -27.8302 -131.719 -11.7539 -56.0295 -91.1693 -225.146 PRESSAVG: 655800 2.12246 -0.323041 3.61446 -0.322987 -1.786 -31.354 3.61443 -31.354 -3.90954 GPRESSAVG: 655800 2.58079 -0.438419 4.08929 -0.269582 -2.11932 -30.0566 3.59329 -29.4615 -3.96409 TIMING: 655800 CPU: 2043.51, 0.00310016/step Wall: 2043.51, 0.00310016/step, 3.74103 hours remaining, 235.015625 MB of memory in use. ENERGY: 655800 3965.9199 20416.0210 14515.4600 249.0336 -203141.8602 2696.6203 0.0000 0.0000 51987.5940 -109311.2113 298.7734 -161298.8053 -108948.2039 298.4711 -144.2797 -112.2791 764603.2446 -1.1910 -1.1675 PRESSURE: 656000 261.537 -12.1295 -256.725 -12.1293 64.4956 17.6556 -256.724 17.6551 -228.079 GPRESSURE: 656000 268.064 143.902 -244.295 -29.9726 74.3099 53.4273 -285.171 53.4143 -164.862 PRESSAVG: 656000 -17.7463 -41.7873 33.5265 -41.7873 -8.32461 -14.0585 33.5263 -14.0585 -11.7133 GPRESSAVG: 656000 -18.4394 -40.3109 32.3855 -41.8538 -8.22465 -15.1369 33.1816 -12.8645 -10.9183 TIMING: 656000 CPU: 2044.13, 0.00309331/step Wall: 2044.13, 0.00309331/step, 3.7326 hours remaining, 235.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 656000 3901.1850 20364.8773 14389.0914 255.8974 -203189.9007 2973.9228 0.0000 0.0000 52187.2766 -109117.6502 299.9210 -161304.9268 -108755.3015 298.1538 32.6511 59.1709 765019.3915 -12.5947 -12.5275 PRESSURE: 656200 179.362 50.9937 -19.7031 50.9939 -70.9935 34.0616 -19.7026 34.0616 248.018 GPRESSURE: 656200 210.896 77.4975 -126.427 209.373 -5.83211 98.9905 126.946 69.0625 223.119 PRESSAVG: 656200 -1.38176 29.0202 25.6293 29.0202 -27.4886 -31.0569 25.6293 -31.057 18.4841 GPRESSAVG: 656200 -1.66946 31.2672 24.4348 27.7032 -27.1807 -29.9746 25.2809 -32.0877 17.65 TIMING: 656200 CPU: 2044.74, 0.00309179/step Wall: 2044.74, 0.00309179/step, 3.73059 hours remaining, 235.015625 MB of memory in use. ENERGY: 656200 3967.9291 20593.2512 14439.0653 250.2019 -203311.3069 2931.4518 0.0000 0.0000 52016.8536 -109112.5541 298.9416 -161129.4077 -108743.0107 298.7808 118.7955 142.7277 764566.3516 -3.4621 -3.7334 LDB: ============= START OF LOAD BALANCING ============== 2057.22 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2057.22 LDB: =============== DONE WITH MIGRATION ================ 2057.22 LDB: ============= START OF LOAD BALANCING ============== 2057.53 LDB: Largest compute 7052 load 0.030540 is 15.7% of average load 0.194997 LDB: Average compute 0.004368 is 2.2% of average load 0.194997 LDB: TIME 2057.54 LOAD: AVG 0.194997 MAX 0.214662 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.246 MB LDB: TIME 2057.54 LOAD: AVG 0.194997 MAX 0.214662 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.453 MB LDB: TIME 2057.54 LOAD: AVG 0.194997 MAX 0.214662 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.453 MB LDB: ============== END OF LOAD BALANCING =============== 2057.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2057.54 PRESSURE: 656400 100.546 -89.5063 -77.1325 -89.5064 250.921 -118.086 -77.1324 -118.085 370.231 GPRESSURE: 656400 164.703 -62.4753 -90.6217 -153.6 217.417 -80.1111 -7.83128 -100.79 403.813 PRESSAVG: 656400 2.38165 6.0962 13.0557 6.09619 -53.492 4.98423 13.0558 4.98425 -6.7447 GPRESSAVG: 656400 2.93313 4.1469 14.1053 6.08727 -54.8348 3.56359 15.0545 4.96324 -6.59118 TIMING: 656400 CPU: 2045.38, 0.00317456/step Wall: 2045.38, 0.00317456/step, 3.83029 hours remaining, 234.246094 MB of memory in use. ENERGY: 656400 4036.3197 20610.2162 14440.1225 255.5814 -203127.1982 2796.8515 0.0000 0.0000 52001.3158 -108986.7911 298.8523 -160988.1069 -108629.8596 298.7579 240.5660 261.9778 764249.0754 -19.2850 -19.4976 PRESSURE: 656600 14.6704 -9.94479 203.788 -9.94529 -532.589 179.58 203.789 179.581 24.0251 GPRESSURE: 656600 -23.1 -42.8298 191.441 77.8159 -479.167 34.1495 38.8642 57.1449 86.6393 PRESSAVG: 656600 21.9162 42.5277 9.81804 42.5278 -8.72986 8.46379 9.81807 8.4637 -6.82507 GPRESSAVG: 656600 22.1373 40.7941 10.6849 42.3085 -8.68381 8.70456 7.72322 8.90823 -7.04225 TIMING: 656600 CPU: 2046, 0.00309119/step Wall: 2046, 0.00309119/step, 3.72952 hours remaining, 234.449219 MB of memory in use. ENERGY: 656600 4053.2011 20412.0637 14383.8730 268.1896 -203019.3481 2720.9738 0.0000 0.0000 52087.1452 -109093.9016 299.3455 -161181.0468 -108727.3788 299.5682 -164.6311 -138.5424 765227.4428 2.1204 2.1371 PRESSURE: 656800 -236.299 148.575 -120.392 148.576 262.297 -72.9701 -120.392 -72.97 -343.545 GPRESSURE: 656800 -140.114 152.466 -132.381 60.1711 238.072 -100.177 18.3747 -55.7332 -328.313 PRESSAVG: 656800 -14.9679 10.4757 26.2658 10.4758 20.0277 -10.7829 26.2658 -10.7828 -0.424708 GPRESSAVG: 656800 -16.2216 9.86528 26.0118 12.4251 19.893 -11.7804 26.6794 -9.87074 0.168597 TIMING: 656800 CPU: 2046.62, 0.00309051/step Wall: 2046.62, 0.00309051/step, 3.72853 hours remaining, 234.449219 MB of memory in use. ENERGY: 656800 4106.3270 20432.3464 14451.6470 241.5671 -203179.1516 2892.8950 0.0000 0.0000 52078.1308 -108976.2383 299.2937 -161054.3690 -108613.9827 299.0084 -105.8491 -76.7852 764169.1679 1.5450 1.2800 PRESSURE: 657000 -360.726 -94.9641 -2.93708 -94.9645 -16.5548 285.061 -2.93587 285.06 -271.289 GPRESSURE: 657000 -286.591 -175.076 -66.0254 -261.62 -50.5406 289.233 -25.6298 248.577 -222.419 PRESSAVG: 657000 -29.5384 -54.4229 4.48555 -54.4229 25.7399 27.421 4.48557 27.4209 5.38534 GPRESSAVG: 657000 -30.0733 -53.9413 2.68619 -54.4345 26.197 29.6589 4.14959 25.3471 5.77419 TIMING: 657000 CPU: 2047.23, 0.00308634/step Wall: 2047.23, 0.00308634/step, 3.72333 hours remaining, 234.449219 MB of memory in use. ENERGY: 657000 4022.1598 20530.1366 14406.6787 243.1440 -202675.6449 2439.3628 0.0000 0.0000 52084.3216 -108949.8414 299.3293 -161034.1630 -108583.9850 299.3082 -216.1901 -186.5167 763343.6521 0.5289 0.6326 PRESSURE: 657200 530.969 -62.7067 21.4796 -62.7068 -105.21 325.04 21.4793 325.04 -18.988 GPRESSURE: 657200 505.113 -114.413 14.124 -115.606 -54.0546 279.198 147.291 336.818 47.7932 PRESSAVG: 657200 34.6154 -18.5245 -28.8951 -18.5245 -12.4112 -28.5167 -28.8951 -28.5167 -2.68865 GPRESSAVG: 657200 35.0095 -18.931 -27.2033 -19.5534 -13.0257 -29.8803 -26.2123 -27.6944 -2.82855 TIMING: 657200 CPU: 2047.85, 0.0030874/step Wall: 2047.85, 0.0030874/step, 3.72443 hours remaining, 234.449219 MB of memory in use. ENERGY: 657200 4051.4943 20477.9331 14478.0461 261.9575 -203416.3207 2990.6517 0.0000 0.0000 52198.2994 -108957.9386 299.9843 -161156.2380 -108598.3598 299.4015 135.5903 166.2837 761690.2144 6.5052 6.3851 PRESSURE: 657400 -274.371 188.417 -95.9869 188.418 -482.635 28.8599 -95.9868 28.8617 -468.601 GPRESSURE: 657400 -193.037 188.582 -55.3283 126.811 -450.923 59.138 -170.056 -6.27362 -471.239 PRESSAVG: 657400 9.30721 0.258099 -65.2897 0.258139 -3.88256 42.3339 -65.2897 42.3339 25.381 GPRESSAVG: 657400 9.97371 -0.105347 -66.337 -0.618339 -2.53403 42.819 -67.9417 40.9212 23.838 TIMING: 657400 CPU: 2048.48, 0.00312522/step Wall: 2048.48, 0.00312522/step, 3.76989 hours remaining, 234.449219 MB of memory in use. ENERGY: 657400 3993.6016 20590.7799 14416.7297 240.3763 -203185.5399 2710.2100 0.0000 0.0000 52121.6935 -109112.1490 299.5441 -161233.8424 -108746.0659 299.2348 -408.5355 -371.7329 763644.9201 10.2685 10.4259 PRESSURE: 657600 -136.246 84.309 -198.258 84.3096 134.784 67.4093 -198.258 67.4092 224.897 GPRESSURE: 657600 -79.5105 48.1121 -74.5559 -0.463407 162.004 49.5432 -194.212 6.9708 195.08 PRESSAVG: 657600 -7.15136 23.8613 -3.77741 23.8613 -1.56795 -42.2927 -3.77737 -42.2927 6.61445 GPRESSAVG: 657600 -7.55734 24.2105 -4.07875 24.6453 -2.07559 -42.6879 -3.09471 -42.7114 7.8179 TIMING: 657600 CPU: 2049.1, 0.00311594/step Wall: 2049.1, 0.00311594/step, 3.75852 hours remaining, 234.449219 MB of memory in use. ENERGY: 657600 3893.1730 20484.0557 14431.5704 251.8381 -202902.4227 2749.8526 0.0000 0.0000 52041.6011 -109050.3318 299.0838 -161091.9329 -108684.0339 299.2888 74.4784 92.5245 764521.0877 -0.7016 -0.6050 PRESSURE: 657800 -198.148 51.127 -93.1765 51.1264 116.965 16.0693 -93.1764 16.0694 -347.144 GPRESSURE: 657800 -146.828 -75.0293 -95.7013 82.7867 120.299 1.49354 -11.7682 -25.5803 -332.883 PRESSAVG: 657800 18.2448 -3.39676 5.56554 -3.39679 -34.7317 -3.62192 5.56552 -3.62197 19.515 GPRESSAVG: 657800 19.0216 -2.05358 4.2945 -4.75139 -34.7906 -1.96245 7.1067 -4.64089 18.864 TIMING: 657800 CPU: 2049.72, 0.00311184/step Wall: 2049.72, 0.00311184/step, 3.7534 hours remaining, 234.449219 MB of memory in use. ENERGY: 657800 3947.0902 20620.0088 14469.8519 253.2672 -203103.2404 2842.2909 0.0000 0.0000 51884.7706 -109085.9608 298.1825 -160970.7314 -108728.9830 298.5936 -142.7756 -119.8039 763046.5656 1.0093 1.0317 PRESSURE: 658000 -574.764 -49.8027 7.51214 -49.8027 -114.485 121.165 7.5114 121.164 -171.392 GPRESSURE: 658000 -441.088 -123.948 -0.708688 -61.1819 -145.644 97.6676 -108.469 158.375 -187.304 PRESSAVG: 658000 26.2368 -19.6626 24.0993 -19.6626 -8.98081 26.298 24.0992 26.2979 -15.7057 GPRESSAVG: 658000 25.8418 -19.8798 26.0505 -21.4225 -9.74998 24.7245 22.4157 26.8998 -14.8164 TIMING: 658000 CPU: 2050.34, 0.0031015/step Wall: 2050.34, 0.0031015/step, 3.74075 hours remaining, 234.449219 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: 658000 3946.7808 20543.4732 14467.6024 248.0494 -202176.7884 2259.8023 0.0000 0.0000 51748.2094 -108962.8707 297.3977 -160711.0802 -108600.1064 298.6699 -286.8804 -258.0119 764399.1642 0.5168 0.4251 PRESSURE: 658200 124.463 -129.797 4.33045 -129.797 -127.873 134.024 4.33043 134.023 74.1385 GPRESSURE: 658200 134.684 -52.3924 -9.12043 70.4318 -89.4414 168.299 -126.632 18.6767 99.7917 PRESSAVG: 658200 -12.93 -11.9752 24.4897 -11.9752 -44.7626 11.9326 24.4896 11.9325 -14.7544 GPRESSAVG: 658200 -12.8003 -13.2821 24.5629 -8.54158 -44.8538 12.5079 24.4593 12.0757 -15.33 TIMING: 658200 CPU: 2050.96, 0.0030727/step Wall: 2050.96, 0.0030727/step, 3.70584 hours remaining, 234.449219 MB of memory in use. ENERGY: 658200 3978.8994 20530.1650 14384.9363 244.4024 -203036.3665 2649.5498 0.0000 0.0000 52099.2061 -109149.2074 299.4149 -161248.4136 -108792.6220 299.0296 23.5762 48.3449 764300.2772 -24.1490 -24.3280 PRESSURE: 658400 -157.309 -326.571 7.66431 -326.571 236.955 -9.81551 7.66366 -9.81611 348.851 GPRESSURE: 658400 -63.1351 -321.38 16.9602 -253.953 251.514 -4.25278 -51.08 -40.2545 335.352 PRESSAVG: 658400 0.320205 -46.2385 36.4908 -46.2385 -5.76303 -15.421 36.4908 -15.421 14.557 GPRESSAVG: 658400 -1.11196 -46.1318 35.664 -45.5575 -5.30689 -16.4229 36.0762 -14.3226 14.5379 TIMING: 658400 CPU: 2051.57, 0.00308649/step Wall: 2051.57, 0.00308649/step, 3.7223 hours remaining, 234.449219 MB of memory in use. ENERGY: 658400 3960.4326 20468.5812 14423.6422 258.8948 -203294.2356 3024.4431 0.0000 0.0000 52308.7101 -108849.5315 300.6189 -161158.2417 -108488.0483 298.9061 142.8322 174.5767 763303.1689 3.0381 2.7063 PRESSURE: 658600 -12.6146 82.5431 -144.007 82.5429 -72.9785 30.1145 -144.007 30.1137 -39.5222 GPRESSURE: 658600 146.924 -48.6143 -108.246 51.9378 -157.519 17.7773 -74.3901 -46.7483 -7.0537 PRESSAVG: 658600 30.2971 7.26972 -30.9935 7.26968 -57.9428 30.3606 -30.9935 30.3606 3.56346 GPRESSAVG: 658600 29.9503 5.87237 -29.2868 7.37007 -58.237 31.0089 -31.7444 30.2052 4.58662 TIMING: 658600 CPU: 2052.19, 0.00308327/step Wall: 2052.19, 0.00308327/step, 3.71826 hours remaining, 234.449219 MB of memory in use. ENERGY: 658600 4057.2717 20569.8030 14383.3714 259.4252 -202842.0825 2762.9394 0.0000 0.0000 52043.1531 -108766.1188 299.0927 -160809.2719 -108412.1786 298.9494 -41.7051 -5.8828 764836.6258 -8.0274 -7.9000 PRESSURE: 658800 49.5206 74.0533 41.1374 74.0535 33.2738 -53.1075 41.1384 -53.1071 -28.0891 GPRESSURE: 658800 113.528 2.23784 77.4399 93.8696 27.135 29.987 -27.1084 -49.5922 6.97342 PRESSAVG: 658800 37.6561 1.1262 -19.9188 1.12619 -31.5768 29.6317 -19.9188 29.6317 14.9537 GPRESSAVG: 658800 37.7085 2.23695 -21.0209 0.508785 -30.3306 27.9862 -17.7885 30.1439 13.8828 TIMING: 658800 CPU: 2052.81, 0.00308141/step Wall: 2052.81, 0.00308141/step, 3.71584 hours remaining, 234.449219 MB of memory in use. ENERGY: 658800 4052.0111 20510.5088 14448.1548 284.5508 -202857.4025 2927.7213 0.0000 0.0000 51894.5603 -108739.8954 298.2388 -160634.4557 -108381.1963 299.6043 18.2351 49.2123 765016.7937 7.0110 7.0869 PRESSURE: 659000 239.01 49.2516 317.672 49.2512 -386.389 -48.9422 317.672 -48.9423 -229.031 GPRESSURE: 659000 140.234 77.802 296.047 43.6441 -235.492 -59.3286 289.14 -88.2619 -212.085 PRESSAVG: 659000 20.6662 23.6977 -12.9224 23.6977 -35.7593 -41.6469 -12.9224 -41.647 0.868221 GPRESSAVG: 659000 21.3235 23.6924 -13.5823 24.2815 -35.3028 -40.282 -14.5865 -42.6771 -0.340556 TIMING: 659000 CPU: 2053.43, 0.00309754/step Wall: 2053.43, 0.00309754/step, 3.73511 hours remaining, 234.449219 MB of memory in use. ENERGY: 659000 4072.2708 20564.9203 14504.6459 258.6087 -202789.8025 2597.2018 0.0000 0.0000 52004.4897 -108787.6654 298.8705 -160792.1550 -108422.4960 299.4267 -125.4700 -102.4475 764316.3106 -4.7416 -4.7733 PRESSURE: 659200 -361.582 15.2823 -121.308 15.2828 -311.547 126.663 -121.308 126.662 201.298 GPRESSURE: 659200 -312.418 -29.1242 -158.543 16.5591 -220.554 68.883 -115.028 100.118 171.066 PRESSAVG: 659200 4.52764 14.2391 83.8423 14.239 -14.3742 -0.0454766 83.8423 -0.0454694 1.31928 GPRESSAVG: 659200 4.51617 14.3796 84.9353 12.3611 -15.1679 0.298984 84.7985 -0.483354 2.78544 TIMING: 659200 CPU: 2054.05, 0.00310927/step Wall: 2054.05, 0.00310927/step, 3.74909 hours remaining, 234.449219 MB of memory in use. ENERGY: 659200 4154.6160 20621.8792 14463.6520 251.8544 -202655.6329 2532.8185 0.0000 0.0000 51990.4263 -108640.3865 298.7897 -160630.8129 -108279.1347 299.4017 -157.2771 -120.6352 764563.2076 -2.8424 -2.6221 PRESSURE: 659400 51.3409 -89.8455 84.7016 -89.846 146.926 -98.6566 84.7025 -98.6563 -88.3869 GPRESSURE: 659400 81.7854 -73.4761 67.9424 -79.7518 180.825 -41.684 61.3593 -123.573 -59.1702 PRESSAVG: 659400 8.87405 -2.20551 6.06743 -2.20548 8.7694 -46.0569 6.06741 -46.0569 -2.17796 GPRESSAVG: 659400 8.04491 -1.3317 4.35303 -1.95375 9.83014 -45.295 6.90242 -47.6989 -2.83703 TIMING: 659400 CPU: 2054.67, 0.00311064/step Wall: 2054.67, 0.00311064/step, 3.75056 hours remaining, 234.449219 MB of memory in use. ENERGY: 659400 3999.8094 20462.5372 14397.0930 238.1565 -202945.2502 2835.9402 0.0000 0.0000 52402.0115 -108609.7024 301.1551 -161011.7139 -108245.4212 300.2517 36.6265 67.8133 764418.5407 5.1552 5.0127 PRESSURE: 659600 -179.664 18.3754 233.346 18.3758 -220.241 -87.2979 233.346 -87.2971 -25.4495 GPRESSURE: 659600 -149.209 -6.21418 188.427 -41.1067 -221.132 -81.5802 141.624 -118.927 19.6405 PRESSAVG: 659600 -82.4628 -8.34898 26.9954 -8.34902 40.7082 0.789783 26.9954 0.789895 20.1766 GPRESSAVG: 659600 -82.5345 -10.0302 27.0941 -8.43232 40.4727 0.671298 26.2938 2.12227 20.6339 TIMING: 659600 CPU: 2055.29, 0.00309492/step Wall: 2055.29, 0.00309492/step, 3.73144 hours remaining, 234.449219 MB of memory in use. ENERGY: 659600 4007.8574 20533.5931 14477.9950 258.5783 -202580.6253 2532.9773 0.0000 0.0000 52047.5027 -108722.1215 299.1177 -160769.6241 -108362.3655 300.0381 -141.7847 -116.9004 766491.0335 -7.1926 -7.1426 PRESSURE: 659800 -79.6085 -46.9216 203.888 -46.9204 -140.095 22.273 203.889 22.2735 154.567 GPRESSURE: 659800 -35.4626 -94.1639 202.892 28.2245 -112.296 103.649 187.599 -8.31671 147.295 PRESSAVG: 659800 22.2611 -17.1875 34.5475 -17.1874 -17.5819 -48.139 34.5475 -48.139 0.298002 GPRESSAVG: 659800 22.875 -15.6401 34.553 -17.6202 -17.5303 -47.0163 37.2593 -47.7472 -0.54509 TIMING: 659800 CPU: 2055.91, 0.0030931/step Wall: 2055.91, 0.0030931/step, 3.72908 hours remaining, 234.449219 MB of memory in use. ENERGY: 659800 4108.7158 20561.4090 14469.9134 255.6783 -202995.7956 2997.2488 0.0000 0.0000 51819.6162 -108783.2142 297.8080 -160602.8304 -108429.6929 299.6737 -21.7121 -0.1547 765857.5323 1.6591 1.5999 PRESSURE: 660000 85.7473 274.843 -149.321 274.843 -16.4432 -85.9814 -149.32 -85.9813 433.248 GPRESSURE: 660000 136.778 241.646 -143.246 257.824 -4.25256 -101.411 -107.946 -43.0209 478.136 PRESSAVG: 660000 21.8199 18.2426 4.24581 18.2426 -37.549 6.83079 4.24584 6.83079 1.23913 GPRESSAVG: 660000 22.3938 17.4213 4.69038 19.7999 -38.0453 5.27049 2.23602 5.41233 1.14239 TIMING: 660000 CPU: 2056.53, 0.00309574/step Wall: 2056.53, 0.00309574/step, 3.73209 hours remaining, 234.449219 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: 660000 4035.3907 20556.5165 14442.4197 249.6957 -203353.4780 3164.6278 0.0000 0.0000 51969.2408 -108935.5868 298.6679 -160904.8275 -108580.1777 299.5910 167.5174 203.5540 765867.7240 -4.8300 -4.8364 PRESSURE: 660200 -94.4243 109.777 -177.602 109.777 -112.963 -10.0504 -177.602 -10.0507 167.832 GPRESSURE: 660200 -123.681 148.342 -217.133 129.427 -18.5076 51.2109 -147.896 -147.615 178.534 PRESSAVG: 660200 16.534 83.221 -11.8022 83.221 3.2584 -1.86311 -11.8021 -1.86314 -4.12507 GPRESSAVG: 660200 16.781 83.5577 -11.8215 81.8289 2.5682 -1.89695 -9.54859 -1.57825 -3.50699 TIMING: 660200 CPU: 2057.14, 0.0030872/step Wall: 2057.14, 0.0030872/step, 3.72162 hours remaining, 234.449219 MB of memory in use. ENERGY: 660200 4018.7098 20398.8865 14461.1496 238.7447 -203089.7557 2783.7077 0.0000 0.0000 52266.3140 -108922.2433 300.3752 -161188.5573 -108549.8596 299.4501 -13.1850 12.1152 765141.8211 5.2225 5.2807 LDB: ============= START OF LOAD BALANCING ============== 2069.62 LDB: ============== END OF LOAD BALANCING =============== 2069.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2069.62 LDB: ============= START OF LOAD BALANCING ============== 2069.93 LDB: Largest compute 7015 load 0.030073 is 15.4% of average load 0.194996 LDB: Average compute 0.004388 is 2.3% of average load 0.194996 LDB: TIME 2069.93 LOAD: AVG 0.194996 MAX 0.21494 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.504 MB LDB: TIME 2069.93 LOAD: AVG 0.194996 MAX 0.21494 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.707 MB LDB: TIME 2069.93 LOAD: AVG 0.194996 MAX 0.21494 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.707 MB LDB: ============== END OF LOAD BALANCING =============== 2069.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2069.94 PRESSURE: 660400 -191.539 80.0277 -87.1891 80.0264 -188.442 22.9546 -87.1896 22.9545 -367.111 GPRESSURE: 660400 -178.967 100.645 -123.441 77.1194 -134.388 -12.6375 -44.8546 -38.8558 -355.778 PRESSAVG: 660400 1.30828 16.8201 -45.5719 16.8201 -34.6493 -40.3631 -45.5719 -40.3632 16.6269 GPRESSAVG: 660400 1.10256 15.2382 -45.721 15.9649 -34.1519 -39.1684 -48.5183 -38.8227 16.3731 TIMING: 660400 CPU: 2057.78, 0.00316184/step Wall: 2057.78, 0.00316184/step, 3.81143 hours remaining, 233.019531 MB of memory in use. ENERGY: 660400 3983.3644 20663.7376 14494.6640 242.8534 -203025.3451 2795.7048 0.0000 0.0000 52093.9984 -108751.0223 299.3849 -160845.0208 -108392.7994 299.4080 -249.0305 -223.0444 766231.0034 -5.5714 -5.5587 PRESSURE: 660600 -2.25871 -117.773 143.669 -117.774 -92.3555 64.8578 143.669 64.8578 132.364 GPRESSURE: 660600 16.5215 -130.869 168.764 -120.631 -89.3631 1.90275 204.051 21.9836 186.111 PRESSAVG: 660600 -33.2884 -21.7862 8.65234 -21.7861 -26.9323 -43.7959 8.6524 -43.796 14.1283 GPRESSAVG: 660600 -33.8552 -21.2613 10.9763 -20.2246 -26.7163 -46.7541 7.88594 -44.8451 14.2711 TIMING: 660600 CPU: 2058.39, 0.00308944/step Wall: 2058.39, 0.00308944/step, 3.72398 hours remaining, 233.019531 MB of memory in use. ENERGY: 660600 3947.0524 20494.9659 14409.9296 264.2697 -203198.8190 3056.2472 0.0000 0.0000 52268.2940 -108758.0602 300.3866 -161026.3542 -108387.4752 299.7073 12.5832 37.7566 765269.1309 -15.3641 -15.4335 PRESSURE: 660800 -288.755 48.3508 -52.6254 48.3516 210.618 -63.2141 -52.6246 -63.2138 175.209 GPRESSURE: 660800 -206.97 42.6192 -87.6936 70.632 194.159 70.5982 -90.2058 -30.2997 178.488 PRESSAVG: 660800 4.27096 25.7163 -48.4639 25.7163 -22.2801 -76.3903 -48.4639 -76.3904 -5.24706 GPRESSAVG: 660800 4.36617 25.7959 -49.3666 25.1548 -22.8743 -71.8355 -47.4382 -77.2844 -5.02393 TIMING: 660800 CPU: 2059.01, 0.00310402/step Wall: 2059.01, 0.00310402/step, 3.74138 hours remaining, 233.019531 MB of memory in use. ENERGY: 660800 3950.3117 20460.7262 14466.8158 250.8846 -202337.4307 2470.7494 0.0000 0.0000 52196.2173 -108541.7258 299.9724 -160737.9431 -108175.8306 299.7208 32.3576 55.2256 765865.0731 -7.7521 -7.8440 PRESSURE: 661000 -116.911 36.8917 -133.442 36.8918 132.285 -169.371 -133.442 -169.371 -256.069 GPRESSURE: 661000 -27.6396 101.977 -68.6269 39.5479 137.98 -136.574 -144.774 -283.956 -255.522 PRESSAVG: 661000 8.30014 20.3383 -10.4167 20.3383 24.1336 -65.6411 -10.4168 -65.6411 15.1222 GPRESSAVG: 661000 8.94841 19.9108 -10.7859 20.4296 24.9013 -67.4956 -10.9462 -62.0618 13.3853 TIMING: 661000 CPU: 2059.64, 0.00310619/step Wall: 2059.64, 0.00310619/step, 3.74382 hours remaining, 233.019531 MB of memory in use. ENERGY: 661000 3933.8181 20690.2757 14433.5399 254.8352 -203048.4278 2963.6105 0.0000 0.0000 52133.0083 -108639.3402 299.6091 -160772.3485 -108284.9934 299.4645 -80.2316 -48.3939 764240.7624 15.8520 15.7450 PRESSURE: 661200 26.83 -84.5041 -216.207 -84.5038 341.5 90.4392 -216.207 90.4393 373.096 GPRESSURE: 661200 173.3 -132.485 -224.213 -147.17 307.32 89.6976 -195.304 -10.9503 351.447 PRESSAVG: 661200 -2.32546 -16.3082 -34.7116 -16.3082 -13.4219 -26.6274 -34.7116 -26.6273 7.81134 GPRESSAVG: 661200 -1.8205 -16.5692 -33.8102 -16.8119 -14.2297 -27.9047 -35.9232 -30.3547 8.43916 TIMING: 661200 CPU: 2060.26, 0.00310784/step Wall: 2060.26, 0.00310784/step, 3.74564 hours remaining, 233.019531 MB of memory in use. ENERGY: 661200 3984.1888 20630.4843 14460.4511 268.4063 -203703.2340 3303.8589 0.0000 0.0000 52354.9018 -108700.9430 300.8843 -161055.8448 -108352.1951 299.4093 247.1422 277.3556 763657.6836 -2.6454 -2.5370 PRESSURE: 661400 97.7293 38.3245 -1.58167 38.3238 -293.612 -86.5582 -1.58123 -86.5575 -204.332 GPRESSURE: 661400 76.9882 42.6429 -25.8705 52.348 -272.629 -167.638 -46.2482 -64.615 -123.198 PRESSAVG: 661400 0.257393 -16.8925 -54.6956 -16.8926 3.34449 10.5473 -54.6955 10.5473 -8.83706 GPRESSAVG: 661400 -0.381251 -13.8063 -55.5083 -17.4425 2.45988 9.60944 -53.1335 10.4562 -7.32009 TIMING: 661400 CPU: 2060.88, 0.00310878/step Wall: 2060.88, 0.00310878/step, 3.74659 hours remaining, 233.019531 MB of memory in use. ENERGY: 661400 4079.3055 20610.2706 14479.8744 233.5805 -202539.7225 2505.8974 0.0000 0.0000 52031.2781 -108599.5160 299.0245 -160630.7940 -108249.9561 300.2470 -133.4049 -106.2795 764180.2960 -1.7451 -1.7472 PRESSURE: 661600 -8.58146 -77.9398 -99.39 -77.9396 8.01413 -12.0439 -99.3898 -12.0433 148.425 GPRESSURE: 661600 30.5482 -56.594 -94.127 -95.5359 76.8778 110.663 5.84699 102.485 109.676 PRESSAVG: 661600 47.2019 -26.4779 -41.5341 -26.4779 -29.9294 -28.6822 -41.5342 -28.6822 6.41837 GPRESSAVG: 661600 46.3826 -28.6326 -40.4812 -26.0257 -28.4312 -27.7303 -41.0789 -27.1411 5.80438 TIMING: 661600 CPU: 2061.5, 0.00310014/step Wall: 2061.5, 0.00310014/step, 3.73601 hours remaining, 233.019531 MB of memory in use. ENERGY: 661600 3973.2341 20521.1731 14468.7036 245.1373 -203432.3141 3178.5209 0.0000 0.0000 52045.6359 -108999.9091 299.1070 -161045.5451 -108627.1526 299.7429 49.2859 72.3675 762661.0050 7.8969 7.9186 PRESSURE: 661800 318.462 -183.373 -110.187 -183.373 -50.8885 -118.098 -110.187 -118.098 -45.2665 GPRESSURE: 661800 382.707 -177.424 -123.916 -39.3255 -183.047 -117.021 -131.092 -105.955 98.7226 PRESSAVG: 661800 104.139 -46.8924 -48.3729 -46.8924 -80.4705 -41.9486 -48.3728 -41.9485 19.7256 GPRESSAVG: 661800 103.856 -45.7157 -48.6224 -44.8928 -80.1413 -42.3078 -50.5093 -41.2263 19.4244 TIMING: 661800 CPU: 2062.12, 0.0031206/step Wall: 2062.12, 0.0031206/step, 3.7605 hours remaining, 233.019531 MB of memory in use. ENERGY: 661800 3964.9211 20602.8451 14398.2069 246.8302 -203482.8796 3054.9443 0.0000 0.0000 52211.9482 -109003.1838 300.0628 -161215.1320 -108642.2272 299.2468 74.1023 99.4607 762598.5473 14.4649 14.3797 PRESSURE: 662000 -58.6759 -99.0364 177.488 -99.036 31.4551 50.9633 177.489 50.9636 33.9269 GPRESSURE: 662000 -35.1285 -70.313 145.871 -90.1118 75.0979 127.687 280.008 -87.737 43.4624 PRESSAVG: 662000 69.0195 -8.11216 -26.915 -8.11215 -95.7312 -63.916 -26.915 -63.916 -15.4992 GPRESSAVG: 662000 69.8513 -10.0933 -29.7254 -9.26011 -96.9128 -64.6942 -23.6249 -65.4221 -14.9432 TIMING: 662000 CPU: 2062.74, 0.00310224/step Wall: 2062.74, 0.00310224/step, 3.7382 hours remaining, 233.019531 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: 662000 4059.6156 20453.6474 14492.0281 261.7032 -203335.0311 2793.8310 0.0000 0.0000 52482.3924 -108791.8133 301.6170 -161274.2057 -108432.9847 300.0121 2.2354 27.8106 761546.7481 -14.0703 -14.0016 PRESSURE: 662200 -339.879 64.6402 -98.9852 64.6398 79.0451 43.2458 -98.9849 43.2461 57.0965 GPRESSURE: 662200 -254.877 -32.7091 -127.764 129.967 19.3068 35.2752 -156.493 24.8318 121.336 PRESSAVG: 662200 52.5524 18.9875 15.439 18.9875 -46.969 -3.68853 15.439 -3.68854 -24.9025 GPRESSAVG: 662200 51.6518 18.8856 18.4859 19.0571 -46.3252 -3.94989 13.203 -2.4812 -24.4937 TIMING: 662200 CPU: 2063.36, 0.00309404/step Wall: 2063.36, 0.00309404/step, 3.72814 hours remaining, 233.019531 MB of memory in use. ENERGY: 662200 4088.2579 20496.8842 14487.7230 246.9676 -203159.0257 2816.8610 0.0000 0.0000 52180.9725 -108841.3596 299.8848 -161022.3321 -108479.3697 300.1850 -67.9126 -38.0780 762889.7387 -6.4397 -6.3890 PRESSURE: 662400 -177.656 125.046 -205.611 125.045 -411.785 19.9169 -205.612 19.9173 -62.0296 GPRESSURE: 662400 -199.342 215.39 -166.682 126.465 -351.307 -88.2059 -297.471 38.7301 10.5529 PRESSAVG: 662400 -30.5564 9.94454 -29.1563 9.9445 2.45049 -87.3542 -29.1562 -87.3542 -11.3585 GPRESSAVG: 662400 -29.6406 9.90962 -30.2651 8.32368 2.41749 -86.2656 -29.0932 -89.2594 -11.53 TIMING: 662400 CPU: 2063.98, 0.00308667/step Wall: 2063.98, 0.00308667/step, 3.71909 hours remaining, 233.019531 MB of memory in use. ENERGY: 662400 4022.7591 20563.9451 14437.0553 255.8867 -202781.7299 2711.5675 0.0000 0.0000 51925.3892 -108865.1270 298.4159 -160790.5162 -108504.3231 299.5400 -217.1569 -180.0322 763895.1575 -13.1548 -12.9177 PRESSURE: 662600 1.64724 61.3964 181.643 61.3965 -238.525 125.308 181.643 125.307 -164.48 GPRESSURE: 662600 -9.40566 47.6975 96.2437 151.094 -152.004 183.769 99.6191 202.751 -148.155 PRESSAVG: 662600 -9.56187 -75.3137 -51.373 -75.3138 34.6357 -52.2893 -51.373 -52.2893 9.7842 GPRESSAVG: 662600 -10.2496 -74.0603 -53.7146 -74.9465 35.0984 -52.3765 -50.0754 -51.2091 9.7296 TIMING: 662600 CPU: 2064.6, 0.00308184/step Wall: 2064.6, 0.00308184/step, 3.7131 hours remaining, 233.019531 MB of memory in use. ENERGY: 662600 3972.6472 20481.3942 14431.6590 252.0354 -203317.7903 2953.6815 0.0000 0.0000 52137.8709 -109088.5021 299.6371 -161226.3730 -108723.2422 299.7198 -133.7856 -103.1884 763922.1118 11.6194 11.5261 PRESSURE: 662800 -186.181 -2.50628 -219.088 -2.50549 -68.9836 -187.395 -219.087 -187.395 348.395 GPRESSURE: 662800 -196.199 -73.5595 -213.164 105.779 37.8187 -171.949 -151.199 -175.944 341.147 PRESSAVG: 662800 1.28964 -44.0449 15.0118 -44.0448 -20.1766 -108.838 15.0118 -108.838 -2.36372 GPRESSAVG: 662800 1.70532 -43.0905 17.5229 -44.4775 -20.4744 -109.979 14.399 -106.434 -2.50851 TIMING: 662800 CPU: 2065.21, 0.00308745/step Wall: 2065.21, 0.00308745/step, 3.71969 hours remaining, 233.019531 MB of memory in use. ENERGY: 662800 3987.7180 20481.9843 14496.3869 252.7778 -202657.7491 2735.0154 0.0000 0.0000 51773.1249 -108930.7418 297.5409 -160703.8667 -108567.6983 299.2324 31.0768 60.9223 764557.1062 -7.0836 -7.0925 PRESSURE: 663000 -267.492 -72.6938 20.1411 -72.6933 -319.433 -19.5904 20.1406 -19.5906 -113.854 GPRESSURE: 663000 -169.653 -11.3705 44.3644 -87.4504 -391.606 -58.2472 78.6125 -11.6127 -62.719 PRESSAVG: 663000 2.76525 -29.6397 -56.978 -29.6397 -53.7017 19.0508 -56.978 19.0508 -4.6821 GPRESSAVG: 663000 3.71988 -30.7263 -56.9572 -30.86 -55.0485 19.858 -57.7015 15.415 -4.62271 TIMING: 663000 CPU: 2065.83, 0.00310339/step Wall: 2065.83, 0.0031034/step, 3.73873 hours remaining, 233.019531 MB of memory in use. ENERGY: 663000 4093.4005 20504.4987 14361.0870 257.5432 -203091.5586 2560.4980 0.0000 0.0000 52341.3947 -108973.1364 300.8067 -161314.5311 -108607.5139 299.1656 -233.5930 -207.9924 763071.4720 -18.5395 -18.6504 PRESSURE: 663200 153.146 -115.969 197.063 -115.97 41.2339 -37.884 197.064 -37.8836 33.4775 GPRESSURE: 663200 286.404 -164.406 253.455 -72.9653 -39.1118 -36.8971 73.3741 13.9148 41.4296 PRESSAVG: 663200 42.0301 -91.2264 -0.522066 -91.2264 -57.4726 -42.316 -0.522029 -42.3162 0.850142 GPRESSAVG: 663200 42.1919 -89.9203 0.455561 -89.3016 -56.7315 -42.0626 -2.07674 -41.9643 -0.0865358 TIMING: 663200 CPU: 2066.46, 0.0031086/step Wall: 2066.46, 0.0031086/step, 3.74483 hours remaining, 233.019531 MB of memory in use. ENERGY: 663200 3998.7303 20479.8177 14434.1190 256.9185 -203258.8268 2893.4294 0.0000 0.0000 52457.7391 -108738.0728 301.4753 -161195.8119 -108370.4420 299.2188 75.9524 96.2407 763323.6620 -4.8641 -4.8754 PRESSURE: 663400 119.852 -73.1104 -188.769 -73.1106 210.129 135.964 -188.768 135.963 226.394 GPRESSURE: 663400 112.193 -19.0505 -304.927 -160.722 322.315 174.366 -160.106 153.706 221.043 PRESSAVG: 663400 32.485 25.4409 -3.14965 25.4409 -31.9443 -41.1262 -3.14965 -41.1263 -13.3425 GPRESSAVG: 663400 32.0071 24.3609 -2.12258 23.0599 -32.8785 -40.0841 -1.24009 -39.5142 -12.6602 TIMING: 663400 CPU: 2067.08, 0.00310843/step Wall: 2067.08, 0.00310843/step, 3.74445 hours remaining, 233.019531 MB of memory in use. ENERGY: 663400 3978.0252 20526.0056 14368.7774 263.9670 -202682.7774 2525.3082 0.0000 0.0000 52290.2478 -108730.4462 300.5128 -161020.6940 -108349.2606 299.7661 185.4585 218.5168 763702.6931 -4.2673 -4.5105 PRESSURE: 663600 -225.044 -173.561 284.75 -173.562 -198.109 29.4094 284.75 29.4097 -176.995 GPRESSURE: 663600 -219.519 -21.0634 249.009 -236.294 -159.739 54.0376 210.738 -118.893 -141.197 PRESSAVG: 663600 19.695 6.18408 -4.91975 6.18411 -70.8463 -5.17547 -4.91973 -5.1756 -21.1394 GPRESSAVG: 663600 19.2622 6.52078 -5.99637 9.81214 -69.8639 -6.86005 -5.43389 -7.75592 -21.667 TIMING: 663600 CPU: 2067.7, 0.00309589/step Wall: 2067.7, 0.00309589/step, 3.72917 hours remaining, 233.019531 MB of memory in use. ENERGY: 663600 3974.2321 20686.2200 14421.2101 278.8618 -202665.3154 2536.4537 0.0000 0.0000 52057.5180 -108710.8197 299.1753 -160768.3377 -108347.2020 299.5116 -200.0495 -173.4851 764845.5919 -24.0969 -24.0896 PRESSURE: 663800 -187.72 142.998 -39.5335 142.997 -801.18 162.456 -39.5342 162.455 -207.962 GPRESSURE: 663800 -93.9989 137.704 -48.4094 106.789 -733.662 171.678 -88.3492 33.1015 -279.336 PRESSAVG: 663800 71.2208 -0.191716 46.1808 -0.191712 -60.6566 41.3028 46.1808 41.3028 3.86563 GPRESSAVG: 663800 70.9233 -1.9011 43.6843 -0.911058 -59.5692 42.7377 45.4871 42.6582 3.38442 TIMING: 663800 CPU: 2068.32, 0.00309501/step Wall: 2068.32, 0.00309501/step, 3.72794 hours remaining, 233.019531 MB of memory in use. ENERGY: 663800 4116.5164 20643.6724 14391.1710 255.9858 -202515.0023 2345.3181 0.0000 0.0000 52175.5630 -108586.7756 299.8537 -160762.3386 -108229.8166 299.9990 -398.9537 -368.9989 766074.1310 4.8099 4.9128 PRESSURE: 664000 91.8091 61.813 13.324 61.8125 -287.92 -95.721 13.3242 -95.7216 277.403 GPRESSURE: 664000 162.984 84.4884 -72.1133 223.129 -294.424 -106.829 165.629 -26.3582 305.556 PRESSAVG: 664000 64.2229 54.3756 -23.0465 54.3755 -122.518 -10.6665 -23.0465 -10.6664 -4.23694 GPRESSAVG: 664000 64.8743 56.47 -20.0239 54.0121 -123.269 -10.8874 -21.6356 -9.23588 -4.03145 TIMING: 664000 CPU: 2068.94, 0.00310063/step Wall: 2068.94, 0.00310063/step, 3.73453 hours remaining, 233.019531 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: 664000 3988.7759 20578.6110 14369.6610 251.0147 -203108.9682 3030.4929 0.0000 0.0000 52297.3575 -108593.0553 300.5536 -160890.4128 -108227.9047 299.8026 27.0974 58.0388 766846.3052 -20.8442 -20.8088 PRESSURE: 664200 -13.6197 -65.8587 140.229 -65.8589 48.8978 -2.55832 140.228 -2.55786 -275.114 GPRESSURE: 664200 -59.0809 -46.3069 152.623 16.2286 41.3108 20.7797 194.853 -36.3848 -154.204 PRESSAVG: 664200 -30.777 86.3224 -34.0735 86.3224 -29.2066 0.838152 -34.0735 0.838091 1.68148 GPRESSAVG: 664200 -30.5917 86.9067 -36.9001 85.7617 -29.6025 1.50617 -31.7214 -0.827986 2.22814 TIMING: 664200 CPU: 2069.56, 0.00309661/step Wall: 2069.56, 0.00309661/step, 3.72952 hours remaining, 233.019531 MB of memory in use. ENERGY: 664200 4034.6502 20412.6269 14406.9153 249.7267 -203049.9053 3050.1175 0.0000 0.0000 52382.8127 -108513.0560 301.0447 -160895.8687 -108141.9210 300.2267 -79.9454 -57.3246 766870.7062 -19.4341 -19.3220 LDB: ============= START OF LOAD BALANCING ============== 2082.03 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2082.03 LDB: =============== DONE WITH MIGRATION ================ 2082.03 LDB: ============= START OF LOAD BALANCING ============== 2082.34 LDB: Largest compute 7010 load 0.029944 is 15.4% of average load 0.194984 LDB: Average compute 0.004395 is 2.3% of average load 0.194984 LDB: TIME 2082.35 LOAD: AVG 0.194984 MAX 0.214996 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.305 MB LDB: TIME 2082.35 LOAD: AVG 0.194984 MAX 0.214996 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.305 MB LDB: TIME 2082.35 LOAD: AVG 0.194984 MAX 0.214996 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.305 MB LDB: ============== END OF LOAD BALANCING =============== 2082.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2082.36 PRESSURE: 664400 2.19946 44.1548 116.997 44.1552 -34.7681 125.407 116.998 125.407 75.5262 GPRESSURE: 664400 -20.4943 -8.47936 80.6582 62.423 92.4605 111.55 6.76685 161.824 57.4552 PRESSAVG: 664400 -8.04227 -1.24589 -8.82803 -1.24581 -10.211 -22.541 -8.82795 -22.5411 14.3591 GPRESSAVG: 664400 -8.0545 -2.67826 -8.0644 -0.739736 -9.53914 -23.3033 -11.5969 -22.962 13.5487 TIMING: 664400 CPU: 2070.19, 0.00317047/step Wall: 2070.19, 0.00317047/step, 3.8183 hours remaining, 235.015625 MB of memory in use. ENERGY: 664400 4034.8774 20466.9449 14378.4946 262.0446 -202855.5475 3114.3079 0.0000 0.0000 51872.7326 -108726.1456 298.1133 -160598.8781 -108351.6401 299.5507 14.3192 43.1405 767355.2946 -1.2981 -1.3483 PRESSURE: 664600 49.7817 -202.056 54.3526 -202.056 -363.386 -51.5123 54.3523 -51.5114 30.5278 GPRESSURE: 664600 29.9423 -203.832 -29.8443 -256.22 -314.015 -14.3495 104.441 5.74103 83.0064 PRESSAVG: 664600 105.283 59.0755 -2.51569 59.0756 -88.43 14.0546 -2.51575 14.0546 2.75838 GPRESSAVG: 664600 104.404 57.9596 -1.63872 58.8001 -88.7184 11.8889 -2.91378 15.5901 3.74103 TIMING: 664600 CPU: 2070.81, 0.00309242/step Wall: 2070.81, 0.00309242/step, 3.72414 hours remaining, 235.082031 MB of memory in use. ENERGY: 664600 3916.9258 20572.5067 14407.6222 263.3846 -203291.5470 3180.5259 0.0000 0.0000 52255.2463 -108695.3356 300.3116 -160950.5819 -108343.4394 300.0176 -94.3590 -67.0222 767303.1325 6.5370 6.4757 PRESSURE: 664800 -272.459 0.626588 -188.498 0.627142 -51.3435 -142.042 -188.498 -142.041 393.759 GPRESSURE: 664800 -297.604 23.6948 -184.931 89.0993 82.2798 -161.304 -66.3119 -67.1924 379.918 PRESSAVG: 664800 22.3571 11.3663 9.08172 11.3663 -64.1149 -27.8726 9.08166 -27.8727 1.61342 GPRESSAVG: 664800 22.6909 11.174 9.29881 12.8677 -63.7121 -25.9878 9.41691 -28.6334 1.52369 TIMING: 664800 CPU: 2071.43, 0.00310928/step Wall: 2071.43, 0.00310928/step, 3.74427 hours remaining, 235.082031 MB of memory in use. ENERGY: 664800 3878.7966 20565.4464 14505.6417 249.5838 -202772.2508 2606.7438 0.0000 0.0000 52389.1083 -108576.9302 301.0809 -160966.0386 -108208.6087 300.0478 23.3188 54.8649 766602.4135 -13.3815 -13.1658 PRESSURE: 665000 -56.7107 139.793 -101.393 139.793 -194.477 242.602 -101.392 242.602 316.71 GPRESSURE: 665000 -9.74509 56.4852 -84.6041 103.682 -45.3207 170.444 -97.1559 230.916 213.767 PRESSAVG: 665000 25.5224 -35.6508 -11.8588 -35.6508 5.1736 -58.7994 -11.8588 -58.7995 8.59254 GPRESSAVG: 665000 24.9557 -33.7531 -11.0939 -36.3877 5.81542 -59.7795 -12.5495 -59.0137 8.11976 TIMING: 665000 CPU: 2072.05, 0.00309792/step Wall: 2072.05, 0.00309792/step, 3.73041 hours remaining, 235.082031 MB of memory in use. ENERGY: 665000 3985.6019 20480.0571 14427.5843 256.0992 -202822.4233 2938.3816 0.0000 0.0000 52267.8326 -108466.8665 300.3840 -160734.6991 -108115.7962 299.8549 21.8406 52.9003 767050.9746 13.0962 12.9636 PRESSURE: 665200 -13.3341 84.7946 -114.602 84.794 -397.496 32.5198 -114.602 32.5197 -96.935 GPRESSURE: 665200 -63.7778 181.921 -129.161 62.2077 -357.052 -9.15804 -235.025 70.6712 0.230505 PRESSAVG: 665200 64.2722 39.7669 -44.4664 39.7669 -40.104 9.10135 -44.4664 9.10132 -10.8287 GPRESSAVG: 665200 66.1412 40.2061 -45.5352 40.5931 -41.8751 9.98257 -42.5308 9.23464 -10.517 TIMING: 665200 CPU: 2072.67, 0.00310095/step Wall: 2072.67, 0.00310094/step, 3.73388 hours remaining, 235.082031 MB of memory in use. ENERGY: 665200 3987.9359 20556.9771 14409.9285 267.2509 -202580.6093 2618.1214 0.0000 0.0000 52222.6331 -108517.7624 300.1242 -160740.3955 -108148.0643 300.1563 -169.2552 -140.1998 767564.4682 4.4465 4.5830 PRESSURE: 665400 39.4921 -256.86 -322.791 -256.86 -347.2 -64.4004 -322.792 -64.4003 406.751 GPRESSURE: 665400 114.323 -144.048 -172.425 -183.669 -317.945 -27.1613 -317.072 66.7663 386.086 PRESSAVG: 665400 31.3192 -57.8321 -73.0446 -57.8321 -34.3372 17.7056 -73.0446 17.7055 -11.8978 GPRESSAVG: 665400 30.7344 -58.9631 -72.1187 -59.6864 -33.3728 18.3257 -74.3697 18.6134 -11.995 TIMING: 665400 CPU: 2073.29, 0.00310541/step Wall: 2073.29, 0.00310541/step, 3.73909 hours remaining, 235.082031 MB of memory in use. ENERGY: 665400 4038.3102 20693.2390 14430.7938 238.2241 -202824.3582 2970.1863 0.0000 0.0000 52018.6513 -108434.9536 298.9519 -160453.6048 -108077.2531 299.9451 33.0145 60.8213 765856.5145 -4.9719 -4.8778 PRESSURE: 665600 -66.2182 108.796 -86.7114 108.796 21.9326 357.947 -86.7113 357.947 -271.577 GPRESSURE: 665600 -78.4223 194.688 -132.852 168.086 47.4788 438.81 -34.4472 174.268 -176.736 PRESSAVG: 665600 63.1839 -47.1421 -72.7472 -47.1421 -48.2504 -9.20099 -72.7471 -9.20103 4.90482 GPRESSAVG: 665600 62.7899 -46.4797 -73.4039 -46.1191 -48.4187 -9.63292 -73.9664 -9.01529 5.31759 TIMING: 665600 CPU: 2073.91, 0.00309624/step Wall: 2073.91, 0.00309624/step, 3.72787 hours remaining, 235.082031 MB of memory in use. ENERGY: 665600 4136.4955 20536.8328 14369.4628 260.2494 -202785.4180 2866.4310 0.0000 0.0000 52232.4721 -108383.4744 300.1807 -160615.9465 -108017.0466 300.3553 -105.2876 -69.2265 765898.7089 6.6128 6.5629 PRESSURE: 665800 -137.991 152.449 81.0904 152.449 66.3238 -67.3434 81.0897 -67.3439 -86.9283 GPRESSURE: 665800 -100.854 252.02 -50.8244 65.6542 116.873 -40.4352 -56.5811 -42.7905 -78.8634 PRESSAVG: 665800 30.0601 -42.0883 -74.7339 -42.0883 -17.1669 2.03372 -74.7339 2.03377 -13.9281 GPRESSAVG: 665800 30.1971 -42.5035 -73.7916 -42.3164 -16.5398 1.02158 -74.5946 1.20449 -13.8022 TIMING: 665800 CPU: 2074.53, 0.00310369/step Wall: 2074.53, 0.00310369/step, 3.73667 hours remaining, 235.082031 MB of memory in use. ENERGY: 665800 4077.3057 20600.3463 14443.1178 254.1258 -203155.4041 3062.1354 0.0000 0.0000 52186.8651 -108531.5079 299.9186 -160718.3730 -108175.0501 300.3143 -52.8651 -20.9482 765398.0130 -0.3450 -0.0483 PRESSURE: 666000 -146.145 -81.8479 85.6749 -81.8478 -165.382 201.58 85.6752 201.58 -388.808 GPRESSURE: 666000 -56.4435 -142.333 29.54 -21.3137 -189.273 203.275 134.973 283.759 -384.645 PRESSAVG: 666000 39.7277 6.04536 -30.7618 6.04531 -40.4939 16.8156 -30.7618 16.8156 12.9148 GPRESSAVG: 666000 39.3675 5.95339 -32.4343 7.96812 -40.9228 17.7324 -30.7452 17.2389 13.1429 TIMING: 666000 CPU: 2075.15, 0.00310349/step Wall: 2075.15, 0.00310349/step, 3.73626 hours remaining, 235.082031 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: 666000 4018.5136 20665.3174 14424.9386 251.9463 -203329.2077 2905.5586 0.0000 0.0000 52324.9738 -108737.9594 300.7123 -161062.9332 -108370.5562 299.9535 -233.4448 -210.1205 765898.5588 4.0495 3.8626 PRESSURE: 666200 -379.538 156.695 -380.874 156.695 -336.736 -16.8606 -380.874 -16.8611 -251.449 GPRESSURE: 666200 -263.393 35.7105 -347.604 137.019 -372.338 -12.5297 -265.305 -99.2825 -243.49 PRESSAVG: 666200 14.7947 50.141 -33.0365 50.1409 -0.353878 -38.6053 -33.0365 -38.6053 -4.64319 GPRESSAVG: 666200 15.6131 50.9794 -30.281 48.5949 0.885377 -38.8689 -31.6914 -39.4751 -6.40214 TIMING: 666200 CPU: 2075.77, 0.00310416/step Wall: 2075.77, 0.00310416/step, 3.73689 hours remaining, 235.082031 MB of memory in use. ENERGY: 666200 4057.2361 20682.6119 14454.8460 266.6780 -203235.0786 2928.5214 0.0000 0.0000 52100.7224 -108744.4627 299.4236 -160845.1851 -108390.3603 299.4136 -322.5742 -293.0737 764645.1235 3.2659 3.3654 PRESSURE: 666400 60.0198 -278.227 -29.0109 -278.226 -166.474 -36.8083 -29.0104 -36.8096 -69.6666 GPRESSURE: 666400 88.3153 -174.577 -60.7467 -198.534 -196.108 -29.7544 -85.1954 -91.4464 1.94376 PRESSAVG: 666400 32.1026 21.6438 -62.259 21.6438 -14.8347 -11.3579 -62.259 -11.3578 3.29163 GPRESSAVG: 666400 31.8316 21.1771 -63.264 22.8666 -15.8706 -11.0407 -63.4289 -12.9145 4.62791 TIMING: 666400 CPU: 2076.39, 0.00309657/step Wall: 2076.39, 0.00309657/step, 3.72758 hours remaining, 235.082031 MB of memory in use. ENERGY: 666400 4069.2450 20574.1070 14375.7931 243.8101 -202956.4627 2731.7226 0.0000 0.0000 52003.5200 -108958.2650 298.8649 -160961.7849 -108597.5921 299.4052 -58.7069 -35.2829 765695.0209 6.8532 6.8630 PRESSURE: 666600 285.545 -201.206 -141.689 -201.206 -45.2072 120.407 -141.689 120.407 12.2645 GPRESSURE: 666600 330.314 -342.616 -164.251 -153.817 -45.5192 151.638 -201.144 68.4793 40.4376 PRESSAVG: 666600 30.1516 -57.9084 33.8174 -57.9084 -15.9433 -15.2979 33.8174 -15.2979 9.14255 GPRESSAVG: 666600 31.4878 -57.6924 32.2863 -58.1032 -16.7767 -15.9304 34.8773 -13.1075 8.75848 TIMING: 666600 CPU: 2077.01, 0.00310295/step Wall: 2077.01, 0.00310295/step, 3.73509 hours remaining, 235.082031 MB of memory in use. ENERGY: 666600 4009.6902 20381.5319 14409.3029 245.8481 -203121.3042 2726.7632 0.0000 0.0000 52301.2519 -109046.9160 300.5760 -161348.1679 -108667.0303 299.2162 84.2007 108.4109 764737.4714 7.7836 7.8232 PRESSURE: 666800 160.949 48.4698 -89.0075 48.4699 -356.256 68.5176 -89.0064 68.518 -151.677 GPRESSURE: 666800 156.833 5.8976 -89.1697 2.65166 -328.688 116.984 -44.152 67.8639 -95.969 PRESSAVG: 666800 58.3477 -57.9348 -28.7649 -57.9347 -71.6209 26.1468 -28.7649 26.1468 0.549472 GPRESSAVG: 666800 56.0806 -56.5437 -27.5062 -57.6565 -69.5289 25.5249 -28.7319 26.5999 1.19888 TIMING: 666800 CPU: 2077.64, 0.0031154/step Wall: 2077.64, 0.0031154/step, 3.74991 hours remaining, 235.082031 MB of memory in use. ENERGY: 666800 4010.4691 20667.6168 14410.6460 233.9107 -202919.9678 2817.2739 0.0000 0.0000 51830.6444 -108949.4069 297.8714 -160780.0513 -108584.2437 298.8053 -115.6616 -89.2745 766495.4035 -4.2412 -4.0831 PRESSURE: 667000 -460.367 161.307 -175.492 161.307 41.6926 19.6032 -175.492 19.6031 136.815 GPRESSURE: 667000 -256.686 83.3466 -156.456 143.393 -47.8371 61.8568 -90.751 -155.05 99.7662 PRESSAVG: 667000 72.984 -37.6604 -27.5422 -37.6604 -18.0033 -2.10595 -27.5422 -2.106 -2.41313 GPRESSAVG: 667000 73.5303 -37.3836 -26.5858 -37.9009 -18.643 -1.5011 -28.7667 -2.11489 -2.00567 TIMING: 667000 CPU: 2078.26, 0.00310823/step Wall: 2078.26, 0.00310823/step, 3.74109 hours remaining, 235.082031 MB of memory in use. ENERGY: 667000 4059.8352 20576.0213 14384.8279 231.0226 -203200.7330 2979.2801 0.0000 0.0000 52103.2866 -108866.4594 299.4383 -160969.7460 -108497.1214 299.0885 -93.9532 -68.2524 764697.8008 17.5225 17.6272 PRESSURE: 667200 151.626 17.8472 -105.211 17.8471 -262.303 -107.147 -105.211 -107.146 268.495 GPRESSURE: 667200 289.201 48.0678 -119.706 -11.4781 -235.678 -3.58215 -130.119 -80.0319 184.727 PRESSAVG: 667200 13.3805 -14.6568 -39.1271 -14.6568 -22.8102 -14.3806 -39.1271 -14.3807 -5.47566 GPRESSAVG: 667200 14.2711 -14.0757 -40.8436 -15.7014 -23.5103 -14.707 -38.7383 -13.6372 -5.8161 TIMING: 667200 CPU: 2078.88, 0.00310638/step Wall: 2078.88, 0.00310638/step, 3.7387 hours remaining, 235.082031 MB of memory in use. ENERGY: 667200 3939.3921 20535.1094 14390.7326 238.4609 -203093.1909 2694.5709 0.0000 0.0000 52227.3832 -109067.5417 300.1515 -161294.9250 -108702.1689 299.3112 52.6056 79.4167 764068.8900 -4.9685 -5.0184 PRESSURE: 667400 160.16 -65.1459 -37.1107 -65.1464 -280.303 167.461 -37.1106 167.46 -853.523 GPRESSURE: 667400 126.032 -92.8022 -3.51829 -34.4945 -211.666 204.565 22.7794 134.075 -812.919 PRESSAVG: 667400 -5.04244 -28.4896 -7.18995 -28.4896 -57.3618 -0.964979 -7.18994 -0.965004 -18.5939 GPRESSAVG: 667400 -5.0851 -29.7803 -7.91955 -29.526 -57.2046 -0.244714 -5.96583 -2.66656 -18.5438 TIMING: 667400 CPU: 2079.5, 0.00309646/step Wall: 2079.5, 0.00309645/step, 3.72658 hours remaining, 235.082031 MB of memory in use. ENERGY: 667400 3979.3994 20636.0542 14363.6252 246.3272 -202903.2065 2371.8047 0.0000 0.0000 52226.9205 -109079.0754 300.1488 -161305.9958 -108716.7177 298.8689 -324.5552 -299.5176 764235.7619 -26.9994 -26.9445 PRESSURE: 667600 177.25 -24.8092 161.9 -24.8092 -303.889 -83.1722 161.901 -83.1723 -379.418 GPRESSURE: 667600 139.171 -35.9124 240.593 83.1268 -117.668 -121.428 20.1636 -54.4686 -437.248 PRESSAVG: 667600 44.0575 -50.0998 17.0793 -50.0998 -74.808 -45.3658 17.0793 -45.3658 -8.47367 GPRESSAVG: 667600 45.4996 -49.0547 16.9124 -48.908 -74.5912 -46.0948 14.3387 -44.3962 -9.60762 TIMING: 667600 CPU: 2080.12, 0.00311625/step Wall: 2080.12, 0.00311625/step, 3.75023 hours remaining, 235.082031 MB of memory in use. ENERGY: 667600 4043.2238 20389.6180 14362.0049 256.6700 -202378.2945 2286.0329 0.0000 0.0000 52038.5068 -109002.2379 299.0660 -161040.7447 -108638.9828 299.2484 -168.6856 -138.5818 765112.8349 -13.0747 -12.8997 PRESSURE: 667800 361.826 31.5816 114.503 31.5816 -94.0995 8.96936 114.503 8.97019 717.198 GPRESSURE: 667800 369.601 61.0652 68.5969 37.0961 -69.1255 -51.0489 134.775 2.44588 762.192 PRESSAVG: 667800 40.125 2.81295 2.87762 2.813 -44.9663 -7.54792 2.87757 -7.54802 6.81837 GPRESSAVG: 667800 39.489 1.92053 3.20095 3.74127 -45.0201 -5.40358 5.85385 -8.50945 7.77343 TIMING: 667800 CPU: 2080.74, 0.00310945/step Wall: 2080.74, 0.00310945/step, 3.74188 hours remaining, 235.082031 MB of memory in use. ENERGY: 667800 3945.7656 20508.4183 14457.3574 249.4969 -203237.1877 3097.2239 0.0000 0.0000 52090.4641 -108888.4616 299.3646 -160978.9258 -108523.6476 298.9667 328.3084 354.2223 762685.1984 0.6590 0.7474 PRESSURE: 668000 178.33 88.6813 -37.3651 88.6798 -231.105 2.61849 -37.3658 2.61906 216.629 GPRESSURE: 668000 266.777 94.2432 -61.3191 52.066 -256.215 -45.9162 -99.0649 -9.22948 241.154 PRESSAVG: 668000 78.3836 27.5599 30.3942 27.5598 -55.1867 55.8017 30.3942 55.8017 -11.0119 GPRESSAVG: 668000 77.7688 26.4252 31.1513 26.6105 -56.2973 54.1263 28.2969 56.2237 -9.32648 TIMING: 668000 CPU: 2081.36, 0.00310229/step Wall: 2081.36, 0.00310229/step, 3.73309 hours remaining, 235.082031 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: 668000 4012.3914 20606.4369 14374.0583 271.7021 -202757.4983 2914.5260 0.0000 0.0000 51868.2397 -108710.1440 298.0875 -160578.3837 -108345.1835 299.1387 54.6182 83.9054 764894.8534 4.0616 4.0483 PRESSURE: 668200 -165.135 -143.913 27.955 -143.913 -350.601 68.3907 27.9549 68.3923 -217.621 GPRESSURE: 668200 -190.887 -143.9 -9.11555 -28.2952 -282.028 89.6359 18.3351 133.846 -162.03 PRESSAVG: 668200 72.0973 20.6256 6.25594 20.6256 -20.7529 -7.56763 6.25594 -7.56764 -3.06907 GPRESSAVG: 668200 71.9389 21.4643 6.07758 20.5614 -18.4741 -6.9538 9.80924 -6.37553 -5.44171 TIMING: 668200 CPU: 2081.98, 0.00310108/step Wall: 2081.98, 0.00310108/step, 3.73146 hours remaining, 235.082031 MB of memory in use. ENERGY: 668200 4078.5457 20636.5539 14364.8500 266.5139 -202830.3190 2462.2888 0.0000 0.0000 52361.8986 -108659.6682 300.9246 -161021.5667 -108296.1615 299.8612 -244.4522 -211.6486 764069.6019 16.0918 16.0077 LDB: ============= START OF LOAD BALANCING ============== 2094.46 LDB: ============== END OF LOAD BALANCING =============== 2094.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2094.46 LDB: ============= START OF LOAD BALANCING ============== 2094.77 LDB: Largest compute 7015 load 0.028963 is 14.9% of average load 0.194941 LDB: Average compute 0.004387 is 2.3% of average load 0.194941 LDB: TIME 2094.77 LOAD: AVG 0.194941 MAX 0.215217 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.043 MB LDB: TIME 2094.77 LOAD: AVG 0.194941 MAX 0.215217 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.246 MB LDB: TIME 2094.78 LOAD: AVG 0.194941 MAX 0.215217 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.246 MB LDB: ============== END OF LOAD BALANCING =============== 2094.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2094.78 PRESSURE: 668400 250.107 -46.3835 131.56 -46.3833 455.87 170.288 131.56 170.288 -117.78 GPRESSURE: 668400 242.207 -111.338 84.231 -87.9658 498.145 148.894 97.7582 158.394 -73.0342 PRESSAVG: 668400 -17.7438 -53.0267 28.209 -53.0267 -10.3124 -12.097 28.2091 -12.097 -8.92193 GPRESSAVG: 668400 -18.0753 -53.2243 27.477 -56.0825 -12.1163 -12.179 26.3714 -12.5116 -6.56177 TIMING: 668400 CPU: 2082.62, 0.00316459/step Wall: 2082.62, 0.00316459/step, 3.8077 hours remaining, 234.812500 MB of memory in use. ENERGY: 668400 3895.7769 20697.6738 14414.5040 255.4980 -203116.8453 2960.2560 0.0000 0.0000 52191.8819 -108701.2548 299.9475 -160893.1366 -108340.8499 299.6843 196.0658 222.4392 764682.5062 -12.3260 -12.2511 PRESSURE: 668600 -291.353 93.8052 -165.012 93.8049 -251.808 -215.532 -165.012 -215.532 107.384 GPRESSURE: 668600 -349.504 -35.4566 -146.615 234.641 -54.2526 -249.765 -222.255 -187.461 61.4574 PRESSAVG: 668600 17.2784 -26.0036 -25.2637 -26.0036 -24.9435 -28.6566 -25.2637 -28.6567 -23.4194 GPRESSAVG: 668600 19.2644 -26.738 -24.4224 -23.6008 -24.8469 -27.8259 -25.8728 -29.6919 -24.9942 TIMING: 668600 CPU: 2083.24, 0.00311202/step Wall: 2083.24, 0.00311202/step, 3.74428 hours remaining, 235.015625 MB of memory in use. ENERGY: 668600 4056.6094 20452.2761 14376.7558 269.1638 -202586.5063 2697.0514 0.0000 0.0000 52003.4503 -108731.1995 298.8645 -160734.6498 -108368.7198 299.7737 -145.2589 -114.0996 764157.4717 -10.3615 -10.1922 PRESSURE: 668800 42.9541 -56.8256 -46.398 -56.8261 -20.4376 -144.752 -46.398 -144.753 192.998 GPRESSURE: 668800 -14.0465 -53.2793 15.2148 -72.9485 49.161 -77.4049 -46.4874 -167.576 259.305 PRESSAVG: 668800 -44.47 -47.7534 -34.2398 -47.7534 36.4447 -24.7308 -34.2398 -24.7309 18.2489 GPRESSAVG: 668800 -45.1264 -46.3205 -34.5051 -48.4257 36.9494 -25.3281 -34.8331 -26.3667 18.487 TIMING: 668800 CPU: 2083.86, 0.0030956/step Wall: 2083.86, 0.00309559/step, 3.72434 hours remaining, 235.015625 MB of memory in use. ENERGY: 668800 4084.7117 20508.9392 14418.5109 243.4201 -202764.3883 2712.6904 0.0000 0.0000 52329.0923 -108467.0238 300.7360 -160796.1161 -108111.0812 300.0663 71.8381 98.1398 764426.2889 3.4079 3.4366 PRESSURE: 669000 -90.7292 -4.39564 117.657 -4.39461 -377.35 -140.949 117.657 -140.949 -119.743 GPRESSURE: 669000 -75.946 -42.7469 178.31 -63.5197 -312.477 -140.501 134.066 -121.155 -124.014 PRESSAVG: 669000 -21.9244 -83.4111 -29.2299 -83.411 8.18286 10.8545 -29.2299 10.8545 -1.06813 GPRESSAVG: 669000 -23.1199 -84.4558 -29.7271 -81.3504 9.16704 10.191 -30.508 13.4552 -1.36879 TIMING: 669000 CPU: 2084.48, 0.00309455/step Wall: 2084.48, 0.00309455/step, 3.72292 hours remaining, 235.015625 MB of memory in use. ENERGY: 669000 4078.8644 20555.7382 14411.5077 239.2564 -202815.0500 2690.4432 0.0000 0.0000 52290.3781 -108548.8619 300.5135 -160839.2401 -108189.3763 299.9819 -195.9407 -170.8124 765495.0098 -4.9366 -5.1072 PRESSURE: 669200 336.412 278.668 -185.094 278.667 -48.8557 -100.752 -185.096 -100.751 83.907 GPRESSURE: 669200 343.857 251.808 -278.354 237.516 -29.1986 -101.083 -171.907 -102.578 146.091 PRESSAVG: 669200 13.3212 -41.2921 -6.55871 -41.2921 -19.3184 8.47468 -6.55868 8.47468 -40.5388 GPRESSAVG: 669200 13.9828 -40.545 -5.86567 -44.442 -20.071 8.30025 -5.81389 8.31953 -40.22 TIMING: 669200 CPU: 2085.1, 0.00310214/step Wall: 2085.1, 0.00310214/step, 3.73187 hours remaining, 235.015625 MB of memory in use. ENERGY: 669200 3953.5708 20650.8611 14320.3336 257.3816 -202834.2043 2940.5763 0.0000 0.0000 52024.5026 -108686.9784 298.9855 -160711.4810 -108323.1632 300.3550 123.8211 153.5829 764007.5490 -15.5120 -15.4361 PRESSURE: 669400 -129.434 -137.614 -96.6175 -137.614 -290.03 -0.66729 -96.6176 -0.66869 -75.5038 GPRESSURE: 669400 -208.225 -132 -145.234 -157.665 -172.746 18.0374 34.7122 103.652 -15.1774 PRESSAVG: 669400 17.5511 -32.9594 -52.4657 -32.9594 20.6781 -2.04092 -52.4657 -2.04095 1.47857 GPRESSAVG: 669400 19.5125 -33.2183 -53.374 -30.8913 20.2498 -1.77832 -50.5379 -1.97924 0.0606905 TIMING: 669400 CPU: 2085.72, 0.00309554/step Wall: 2085.72, 0.00309554/step, 3.72376 hours remaining, 235.015625 MB of memory in use. ENERGY: 669400 4029.8647 20608.8622 14379.7845 255.0826 -202770.1202 2884.0714 0.0000 0.0000 52163.6928 -108448.7621 299.7855 -160612.4549 -108081.9836 300.3377 -164.9892 -132.0493 765820.3765 13.2359 13.2743 PRESSURE: 669600 91.0225 189.259 -74.4054 189.26 146.579 0.909734 -74.4042 0.91074 -86.775 GPRESSURE: 669600 151.83 91.1806 -0.589748 119.375 207.787 -49.1848 -57.0838 114.631 -92.251 PRESSAVG: 669600 45.9693 -35.6829 -52.7409 -35.6829 -20.1591 -8.53992 -52.741 -8.54 -14.493 GPRESSAVG: 669600 44.5141 -37.0583 -51.3297 -35.9946 -17.6419 -8.89535 -54.1962 -6.28591 -15.0065 TIMING: 669600 CPU: 2086.34, 0.00311087/step Wall: 2086.34, 0.00311087/step, 3.74203 hours remaining, 235.015625 MB of memory in use. ENERGY: 669600 4072.2419 20447.7997 14350.8540 263.3273 -202831.3478 3045.4602 0.0000 0.0000 52196.5140 -108455.1508 299.9741 -160651.6648 -108096.9257 300.4269 50.2755 89.1221 765535.5152 3.7724 3.9553 PRESSURE: 669800 -35.462 -69.1504 144.05 -69.1495 -178.451 -118.566 144.049 -118.566 -358.032 GPRESSURE: 669800 45.8677 -105.596 69.1832 -77.3081 -226.518 -43.3064 158.175 -184.716 -322.788 PRESSAVG: 669800 44.9288 -17.3102 -30.9524 -17.3103 -49.0608 42.0289 -30.9525 42.0289 0.542943 GPRESSAVG: 669800 44.3124 -15.3285 -33.8745 -18.6941 -50.1968 42.7532 -30.4017 40.1377 2.02402 TIMING: 669800 CPU: 2086.96, 0.00311065/step Wall: 2086.96, 0.00311065/step, 3.74159 hours remaining, 235.015625 MB of memory in use. ENERGY: 669800 3992.5187 20610.5566 14434.2525 246.7308 -202869.7510 3042.5998 0.0000 0.0000 52185.6170 -108357.4754 299.9115 -160543.0924 -108000.6260 299.8648 -190.6484 -167.8125 765947.6668 -1.1963 -1.2868 PRESSURE: 670000 -331.705 -15.6761 -80.2726 -15.676 112.895 -132.726 -80.2731 -132.726 225.963 GPRESSURE: 670000 -289.416 108.61 -44.1731 -52.6275 154.939 -106.31 -56.4371 -151.206 217.052 PRESSAVG: 670000 -27.3659 -26.0151 -48.6336 -26.0151 -4.4626 -16.3156 -48.6336 -16.3156 -21.2152 GPRESSAVG: 670000 -26.1326 -27.0799 -46.3991 -26.3602 -5.3645 -16.1985 -50.3132 -15.3345 -21.7614 TIMING: 670000 CPU: 2087.58, 0.00311265/step Wall: 2087.58, 0.00311265/step, 3.74383 hours remaining, 235.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 670000 4047.7840 20644.1426 14418.7364 255.6093 -202829.9220 2796.6856 0.0000 0.0000 52246.7368 -108420.2273 300.2627 -160666.9641 -108060.6808 300.5218 2.3841 27.5249 765628.1724 -17.6812 -17.7528 PRESSURE: 670200 603.911 -247.52 -80.3349 -247.52 141.607 -48.6751 -80.3347 -48.6761 -50.2743 GPRESSURE: 670200 579.425 -269.574 -173.925 -120.268 203.374 -97.8613 63.4445 -104.531 -1.99441 PRESSAVG: 670200 -8.87136 17.1717 -52.9108 17.1716 35.4841 -31.1904 -52.9108 -31.1904 8.21607 GPRESSAVG: 670200 -8.96859 16.2288 -53.7743 19.6404 34.8785 -32.1839 -51.2541 -32.6322 9.48721 TIMING: 670200 CPU: 2088.2, 0.00310422/step Wall: 2088.2, 0.00310422/step, 3.73351 hours remaining, 235.015625 MB of memory in use. ENERGY: 670200 3978.6579 20414.8216 14434.0209 258.3448 -203174.4488 3118.4870 0.0000 0.0000 52456.5513 -108513.5653 301.4685 -160970.1166 -108141.4131 300.3215 231.7481 260.2682 763930.0654 11.6096 11.7990 PRESSURE: 670400 153.339 253.428 60.1398 253.427 75.3644 172.962 60.1401 172.962 -340.964 GPRESSURE: 670400 133.324 185.069 132.105 136.181 44.73 228.04 -181.083 207.769 -231.888 PRESSAVG: 670400 36.5272 -0.685611 -49.5984 -0.685643 9.33489 -32.2404 -49.5985 -32.2405 -20.8257 GPRESSAVG: 670400 35.3836 0.120554 -49.8314 -2.0113 10.2555 -30.3456 -50.0107 -33.7414 -20.3226 TIMING: 670400 CPU: 2088.82, 0.00310276/step Wall: 2088.82, 0.00310276/step, 3.73158 hours remaining, 235.015625 MB of memory in use. ENERGY: 670400 4034.4073 20747.8100 14496.4148 252.1903 -202961.5084 2789.0248 0.0000 0.0000 52157.1244 -108484.5368 299.7477 -160641.6612 -108127.0201 300.4858 -37.4201 -17.9447 762838.1877 8.3454 8.4388 PRESSURE: 670600 -3.69856 3.38552 -70.1013 3.38584 261.331 -210.923 -70.1013 -210.923 -96.1644 GPRESSURE: 670600 79.6614 -39.6561 -4.20834 -99.2197 292.925 -197.037 -62.0677 -307.541 -123.477 PRESSAVG: 670600 36.6219 -11.7496 17.6794 -11.7495 -24.9008 -22.9061 17.6794 -22.9061 5.68648 GPRESSAVG: 670600 35.9149 -13.7209 18.7987 -10.7479 -23.5601 -23.4059 17.8775 -21.2134 4.7041 TIMING: 670600 CPU: 2089.44, 0.00309507/step Wall: 2089.44, 0.00309507/step, 3.72217 hours remaining, 235.015625 MB of memory in use. ENERGY: 670600 3970.0259 20408.1575 14471.5714 248.2046 -202743.8431 2674.0828 0.0000 0.0000 52316.3102 -108655.4908 300.6626 -160971.8010 -108281.3488 300.4570 53.8225 83.0365 763099.8817 5.8025 5.6863 PRESSURE: 670800 -9.51591 142.723 -209.546 142.723 -176.816 -19.2217 -209.546 -19.2219 -76.848 GPRESSURE: 670800 -7.82137 81.9927 -173.23 145.704 -75.1758 21.4632 -196.989 12.9819 -75.5328 PRESSAVG: 670800 77.8829 -36.5655 -31.9224 -36.5655 -47.4894 -63.2989 -31.9224 -63.2989 15.4659 GPRESSAVG: 670800 78.49 -34.8948 -31.7381 -38.2422 -49.1259 -63.2869 -32.0652 -62.7248 16.1937 TIMING: 670800 CPU: 2090.06, 0.00309079/step Wall: 2090.06, 0.00309079/step, 3.71685 hours remaining, 235.015625 MB of memory in use. ENERGY: 670800 4106.3596 20541.0140 14407.1326 227.2995 -202570.0866 2629.3701 0.0000 0.0000 51977.1176 -108681.7933 298.7132 -160658.9109 -108333.5193 299.9910 -87.7266 -52.8433 765045.9168 15.2865 15.1859 PRESSURE: 671000 62.8438 -106.745 -72.4567 -106.746 134.862 233.647 -72.4561 233.647 -167.233 GPRESSURE: 671000 48.71 -106.82 -29.3859 -33.0471 188.011 206.391 -104.07 190.432 -137.708 PRESSAVG: 671000 -9.13508 -42.3148 -4.15092 -42.3147 14.9545 1.89423 -4.15093 1.89424 -0.560042 GPRESSAVG: 671000 -8.06436 -41.3884 -5.96436 -41.8562 15.6585 2.57679 -2.53445 0.260778 -2.23814 TIMING: 671000 CPU: 2090.68, 0.00311025/step Wall: 2090.68, 0.00311025/step, 3.74007 hours remaining, 235.015625 MB of memory in use. ENERGY: 671000 4025.2725 20647.0733 14408.2029 217.3663 -203222.4416 2803.6664 0.0000 0.0000 52042.0336 -109078.8266 299.0863 -161120.8601 -108721.1303 299.3003 10.1576 33.0042 762586.5024 1.7531 1.7853 PRESSURE: 671200 325.959 -109.592 -114.09 -109.592 -20.8959 -143.037 -114.09 -143.037 -212.341 GPRESSURE: 671200 301.995 -126.617 -86.8717 -123.413 -12.2921 -181.602 -118.155 -67.1941 -128.036 PRESSAVG: 671200 16.3535 -7.26618 -29.386 -7.26625 13.6631 -49.3778 -29.386 -49.3777 -2.18287 GPRESSAVG: 671200 15.8961 -6.8987 -26.6375 -6.31907 13.0125 -50.9961 -29.6563 -47.9099 -0.932597 TIMING: 671200 CPU: 2091.3, 0.00310133/step Wall: 2091.3, 0.00310133/step, 3.72918 hours remaining, 235.015625 MB of memory in use. ENERGY: 671200 3988.9897 20393.8608 14373.3717 235.8431 -203004.1766 2695.5714 0.0000 0.0000 52208.6378 -109107.9020 300.0438 -161316.5398 -108745.8300 299.0228 30.9073 53.8888 763617.2765 9.2779 9.3254 PRESSURE: 671400 -159.945 -89.2353 104.925 -89.2343 -38.7321 -90.6627 104.925 -90.6618 -295.971 GPRESSURE: 671400 -173.944 28.7166 55.14 -178.234 -24.494 -93.3627 112.491 0.955849 -224.401 PRESSAVG: 671400 33.8243 -23.4493 1.43684 -23.4493 -41.7021 2.37154 1.43685 2.37149 17.7683 GPRESSAVG: 671400 34.5808 -24.5312 -0.629345 -22.074 -42.2916 1.66495 0.699324 2.78057 18.1288 TIMING: 671400 CPU: 2091.93, 0.0031169/step Wall: 2091.93, 0.0031169/step, 3.74773 hours remaining, 235.015625 MB of memory in use. ENERGY: 671400 4052.4514 20579.9415 14333.7523 255.0821 -203229.8671 2823.2894 0.0000 0.0000 52046.3179 -109139.0325 299.1109 -161185.3504 -108777.4845 299.1285 -164.8830 -140.9464 764241.4378 3.2968 3.4727 PRESSURE: 671600 339.711 -19.5746 -9.83669 -19.5748 8.31109 157.416 -9.83642 157.416 260.548 GPRESSURE: 671600 360.945 26.0353 11.3534 48.8524 59.0506 155.165 78.327 70.5532 257.485 PRESSAVG: 671600 34.2802 -38.6714 -31.5931 -38.6714 -11.5172 66.9169 -31.5931 66.9169 3.97564 GPRESSAVG: 671600 33.3784 -37.0812 -30.3736 -38.848 -9.55544 68.0775 -31.2616 66.7724 3.22967 TIMING: 671600 CPU: 2092.55, 0.00310905/step Wall: 2092.55, 0.00310905/step, 3.73811 hours remaining, 235.015625 MB of memory in use. ENERGY: 671600 3917.9211 20618.0921 14363.4411 271.2517 -203432.1659 3270.5606 0.0000 0.0000 51871.0163 -109119.8830 298.1034 -160990.8993 -108762.1574 299.4591 202.8567 225.8271 762639.5915 8.9129 9.0175 PRESSURE: 671800 -45.9179 -63.3402 161.352 -63.3404 -178.94 8.61916 161.351 8.61957 121.872 GPRESSURE: 671800 34.9634 -36.431 140.033 -200.779 -120.523 -13.9265 185.656 82.3861 73.8542 PRESSAVG: 671800 13.801 -26.8338 49.2142 -26.8338 -17.8091 -9.58872 49.2143 -9.58874 0.286019 GPRESSAVG: 671800 14.1374 -28.1804 49.8115 -29.4237 -17.4078 -9.1319 47.6253 -9.52426 -0.657543 TIMING: 671800 CPU: 2093.17, 0.00310217/step Wall: 2093.17, 0.00310217/step, 3.72966 hours remaining, 235.015625 MB of memory in use. ENERGY: 671800 4010.5144 20516.5010 14382.6566 237.3459 -202961.7337 2566.3269 0.0000 0.0000 52119.2378 -109129.1510 299.5300 -161248.3889 -108768.6598 298.8876 -34.3289 -3.9018 761961.5547 -1.2407 -1.3093 PRESSURE: 672000 -50.648 105.601 160.142 105.6 293.715 87.0222 160.141 87.0225 -62.3608 GPRESSURE: 672000 -17.7191 88.2596 183.268 212.842 308.006 47.144 116.383 107.191 1.51191 PRESSAVG: 672000 23.0025 -30.8507 58.9044 -30.8507 -25.3508 20.0995 58.9044 20.0995 -15.935 GPRESSAVG: 672000 22.2248 -29.4962 57.9541 -30.2729 -26.5377 18.7963 59.7847 20.4648 -14.3391 TIMING: 672000 CPU: 2093.79, 0.00310364/step Wall: 2093.79, 0.00310364/step, 3.73127 hours remaining, 235.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 672000 3989.2014 20460.2297 14434.0095 249.8017 -203208.1073 3066.3177 0.0000 0.0000 52023.7797 -108984.7675 298.9814 -161008.5472 -108629.6269 299.2284 60.2354 97.2663 763754.8925 -6.0944 -6.2173 PRESSURE: 672200 -318.811 5.60423 177.477 5.60468 -185.371 188.373 177.479 188.373 -0.951949 GPRESSURE: 672200 -197.065 -82.0395 176.618 -87.225 -108.059 194.69 108.268 131.615 -123.328 PRESSAVG: 672200 12.8856 -47.3505 84.7579 -47.3505 -10.505 2.8418 84.7579 2.84173 0.516533 GPRESSAVG: 672200 13.6486 -48.213 85.4536 -46.833 -11.333 3.19184 85.8175 3.45171 0.236546 TIMING: 672200 CPU: 2094.41, 0.00310549/step Wall: 2094.41, 0.00310549/step, 3.73332 hours remaining, 235.015625 MB of memory in use. ENERGY: 672200 4016.2877 20554.3711 14331.5471 238.6062 -202997.4041 2615.4394 0.0000 0.0000 52362.2622 -108878.8904 300.9266 -161241.1526 -108518.3593 299.3822 -168.3781 -142.8176 763725.7601 0.9657 0.8507 LDB: ============= START OF LOAD BALANCING ============== 2106.89 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2106.89 LDB: =============== DONE WITH MIGRATION ================ 2106.89 LDB: ============= START OF LOAD BALANCING ============== 2107.2 LDB: Largest compute 6985 load 0.028888 is 14.8% of average load 0.195052 LDB: Average compute 0.004382 is 2.2% of average load 0.195052 LDB: TIME 2107.21 LOAD: AVG 0.195052 MAX 0.215184 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.328 MB LDB: TIME 2107.21 LOAD: AVG 0.195052 MAX 0.215184 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.328 MB LDB: TIME 2107.21 LOAD: AVG 0.195052 MAX 0.215184 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.328 MB LDB: ============== END OF LOAD BALANCING =============== 2107.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2107.22 PRESSURE: 672400 -39.9977 252.242 -106.625 252.242 -93.3654 38.2023 -106.625 38.2027 372.472 GPRESSURE: 672400 -62.0049 206.505 -9.16466 253.723 -27.5165 -7.40989 -199.169 100.954 406.265 PRESSAVG: 672400 -14.6514 -38.0138 -1.60961 -38.0139 -33.9966 11.1009 -1.60965 11.1009 3.95628 GPRESSAVG: 672400 -14.6951 -39.1468 -3.00135 -39.2545 -33.705 12.0656 -1.48238 8.66572 3.71924 TIMING: 672400 CPU: 2095.05, 0.00319222/step Wall: 2095.05, 0.00319222/step, 3.8374 hours remaining, 233.589844 MB of memory in use. ENERGY: 672400 3957.5829 20475.4103 14381.9463 244.4717 -202613.8029 2490.9793 0.0000 0.0000 52052.9358 -109010.4765 299.1489 -161063.4123 -108641.8268 299.0634 79.7030 105.5810 764708.5765 -14.8972 -14.8936 PRESSURE: 672600 384.454 -61.2973 102.517 -61.2975 -284.342 -229.931 102.517 -229.932 171.891 GPRESSURE: 672600 392.481 -38.2768 172.738 -52.0345 -232.527 -256.395 168.885 -102.546 202.822 PRESSAVG: 672600 19.0909 -41.02 -34.6193 -41.0201 -70.3679 -25.0947 -34.6193 -25.0946 2.03786 GPRESSAVG: 672600 18.4497 -40.0398 -33.8085 -40.8097 -70.1098 -26.3999 -37.2217 -23.0503 2.12888 TIMING: 672600 CPU: 2095.67, 0.0031172/step Wall: 2095.67, 0.0031172/step, 3.74705 hours remaining, 233.589844 MB of memory in use. ENERGY: 672600 3956.9262 20510.6114 14476.7118 242.2217 -202997.6111 2695.7329 0.0000 0.0000 52098.5348 -109016.8724 299.4110 -161115.4071 -108643.0833 299.1714 90.6677 120.9253 763160.8100 -16.4130 -16.5104 PRESSURE: 672800 63.4351 18.6423 -169.528 18.6414 -51.4104 -67.3817 -169.528 -67.3813 -62.6457 GPRESSURE: 672800 161.684 -0.548694 -67.5152 -38.7726 -1.43225 -152.083 -182.161 -37.5061 -115.704 PRESSAVG: 672800 64.542 -58.8169 -52.5881 -58.8169 -36.6495 39.2128 -52.5882 39.2128 -25.0498 GPRESSAVG: 672800 64.1676 -59.821 -51.635 -57.4116 -36.5695 39.3352 -50.3976 38.6014 -24.8097 TIMING: 672800 CPU: 2096.3, 0.00311368/step Wall: 2096.3, 0.00311368/step, 3.74264 hours remaining, 233.589844 MB of memory in use. ENERGY: 672800 3964.8400 20531.3224 14391.2094 249.3630 -203037.4551 2780.7654 0.0000 0.0000 52343.2920 -108776.6630 300.8176 -161119.9550 -108421.0216 299.7515 -16.8737 14.8491 762774.7330 0.9476 0.9295 PRESSURE: 673000 -28.8187 152.239 183.028 152.239 -38.1158 84.1179 183.028 84.1178 -130.024 GPRESSURE: 673000 -41.3474 168.388 142.552 5.40048 -46.2302 67.1438 132.863 230.448 -41.1307 PRESSAVG: 673000 -30.9992 12.8906 -27.9153 12.8906 -47.4436 -7.52036 -27.9152 -7.52035 27.0708 GPRESSAVG: 673000 -29.7496 13.4166 -28.9512 11.446 -47.7533 -7.73078 -30.0332 -7.34346 26.6163 TIMING: 673000 CPU: 2096.92, 0.0031052/step Wall: 2096.92, 0.0031052/step, 3.73227 hours remaining, 233.589844 MB of memory in use. ENERGY: 673000 4001.1267 20646.8588 14488.0642 274.5902 -202992.6933 2738.1620 0.0000 0.0000 52097.2385 -108746.6530 299.4035 -160843.8914 -108392.8558 299.9410 -65.6529 -42.9027 764783.8113 -17.1240 -16.9622 PRESSURE: 673200 -130.787 -131.589 -240.517 -131.589 -206.003 65.2072 -240.517 65.2065 89.2434 GPRESSURE: 673200 -51.8831 -137.977 -245.58 -73.8225 -235.167 144.242 -70.2656 249.903 132.135 PRESSAVG: 673200 28.3904 -10.5419 -27.1539 -10.5419 -8.37808 19.4956 -27.1538 19.4957 14.6807 GPRESSAVG: 673200 28.369 -10.875 -27.8367 -9.74696 -7.54649 19.4548 -26.6056 19.4878 14.443 TIMING: 673200 CPU: 2097.54, 0.00310896/step Wall: 2097.54, 0.00310896/step, 3.73663 hours remaining, 233.589844 MB of memory in use. ENERGY: 673200 3931.9025 20602.1396 14436.6040 259.7343 -202921.7631 2629.8836 0.0000 0.0000 52127.8996 -108933.5994 299.5798 -161061.4990 -108571.5508 299.5627 -82.5153 -51.6384 764120.6120 11.5643 11.7552 PRESSURE: 673400 -59.8036 86.8189 -236.109 86.8192 -189.074 195.008 -236.109 195.008 140.177 GPRESSURE: 673400 -128.84 60.6111 -132.896 98.0053 -96.2455 163.295 -206.58 158.831 191.789 PRESSAVG: 673400 -38.1261 -7.76684 -45.5181 -7.76685 17.9751 -34.8588 -45.5181 -34.8589 -7.16096 GPRESSAVG: 673400 -38.5801 -9.76592 -44.6178 -4.27396 19.058 -34.5241 -43.6216 -35.0024 -7.86163 TIMING: 673400 CPU: 2098.16, 0.00310459/step Wall: 2098.16, 0.00310459/step, 3.73119 hours remaining, 233.589844 MB of memory in use. ENERGY: 673400 4017.0844 20587.8826 14390.0668 259.5928 -202823.6506 2663.1745 0.0000 0.0000 52141.1832 -108764.6663 299.6561 -160905.8495 -108404.2790 299.1321 -36.2332 -11.0989 762760.2996 -9.1040 -9.1279 PRESSURE: 673600 -48.5283 -18.2918 47.2406 -18.2918 -15.7583 2.14254 47.2405 2.14137 -55.0573 GPRESSURE: 673600 -32.164 -47.8527 33.682 -133.742 -14.8758 -32.4741 -13.0817 9.91694 9.89767 PRESSAVG: 673600 -4.11585 -28.2871 24.9986 -28.2871 35.6322 -18.3266 24.9986 -18.3266 21.5069 GPRESSAVG: 673600 -5.24369 -26.4977 23.8128 -31.967 34.2987 -19.1127 25.9743 -18.2567 23.5176 TIMING: 673600 CPU: 2098.78, 0.00312187/step Wall: 2098.78, 0.00312187/step, 3.75179 hours remaining, 233.589844 MB of memory in use. ENERGY: 673600 4068.5677 20558.8434 14473.6149 242.5469 -203018.0938 2689.4798 0.0000 0.0000 52122.8519 -108862.1893 299.5507 -160985.0412 -108499.3282 299.5085 -39.7813 -12.3807 763173.1062 17.6744 17.5242 PRESSURE: 673800 -303.077 -84.7197 127.214 -84.7204 -306.64 88.9314 127.214 88.9316 203.257 GPRESSURE: 673800 -301.417 -35.5328 191.646 -135.203 -172.441 72.813 245.778 120.189 164.14 PRESSAVG: 673800 -22.0931 -52.3061 3.6144 -52.3061 24.4288 -18.2218 3.61438 -18.2218 1.6852 GPRESSAVG: 673800 -21.3346 -52.6572 4.43728 -52.4942 24.214 -17.5098 2.13935 -19.8335 1.35347 TIMING: 673800 CPU: 2099.4, 0.00308928/step Wall: 2099.4, 0.00308928/step, 3.71246 hours remaining, 233.589844 MB of memory in use. ENERGY: 673800 3964.5865 20656.4482 14432.4927 251.9849 -202894.8307 2523.4741 0.0000 0.0000 51980.4649 -109085.3794 298.7324 -161065.8443 -108724.0412 299.3408 -135.4868 -103.2393 764683.3214 1.3403 1.4110 PRESSURE: 674000 -261.168 -146.712 288.4 -146.713 66.381 -220.198 288.4 -220.199 -39.838 GPRESSURE: 674000 -221.186 -54.5093 245.353 -134.555 156.071 -245.025 255.583 -56.3372 -92.6275 PRESSAVG: 674000 -39.9 -0.930158 68.7685 -0.930194 6.52351 20.3727 68.7684 20.3726 -11.6401 GPRESSAVG: 674000 -39.3227 1.59104 68.2695 -0.353208 7.3125 19.6574 71.0833 22.825 -13.042 TIMING: 674000 CPU: 2100.02, 0.00310349/step Wall: 2100.02, 0.00310349/step, 3.72936 hours remaining, 233.589844 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: 674000 4023.6721 20497.6684 14500.1153 236.4042 -203574.4472 3115.4606 0.0000 0.0000 52036.5845 -109164.5421 299.0550 -161201.1266 -108803.9863 298.7798 -78.2082 -52.5809 762938.7558 -15.0055 -15.0174 PRESSURE: 674200 -109.146 -161.719 -127.438 -161.719 122.482 48.5868 -127.439 48.5858 421.956 GPRESSURE: 674200 -132.238 -38.9163 -45.3803 -146.881 152.339 63.2018 -209.342 74.6386 482.359 PRESSAVG: 674200 -41.7937 -13.2459 52.5147 -13.2459 7.52172 9.89099 52.5147 9.89107 30.0585 GPRESSAVG: 674200 -42.4291 -15.1322 53.7948 -13.309 7.27094 11.5233 49.9153 9.30907 30.4209 TIMING: 674200 CPU: 2100.65, 0.00312577/step Wall: 2100.65, 0.00312577/step, 3.75596 hours remaining, 233.589844 MB of memory in use. ENERGY: 674200 3991.9992 20456.2639 14396.6123 261.0547 -203075.6366 2835.0862 0.0000 0.0000 51941.8709 -109192.7494 298.5106 -161134.6203 -108825.1174 298.5572 145.0972 167.4868 763705.5702 -1.4045 -1.5791 PRESSURE: 674400 -82.7267 136.503 110.557 136.503 369.294 -84.2263 110.557 -84.2259 98.9314 GPRESSURE: 674400 27.098 2.06819 89.036 238.37 343.627 11.6737 40.0897 -123.033 104.758 PRESSAVG: 674400 4.99762 -30.7419 58.1534 -30.742 50.6533 57.5053 58.1534 57.5053 16.6718 GPRESSAVG: 674400 4.92154 -30.2694 57.536 -30.7754 49.4694 56.2834 60.217 56.6597 18.0444 TIMING: 674400 CPU: 2101.27, 0.00312301/step Wall: 2101.27, 0.00312301/step, 3.75247 hours remaining, 233.589844 MB of memory in use. ENERGY: 674400 3873.1250 20600.6703 14393.7924 256.6198 -202951.0296 2819.6937 0.0000 0.0000 51906.4587 -109100.6698 298.3071 -161007.1285 -108733.3645 298.5571 128.4996 158.4942 763575.8701 24.1076 24.1451 PRESSURE: 674600 -144.493 -246.013 -123.348 -246.013 79.1396 -180.313 -123.348 -180.312 245.126 GPRESSURE: 674600 -148.135 -174.433 -17.3388 -325.711 164.49 -196.415 -85.4653 -89.7446 243.402 PRESSAVG: 674600 28.2329 -56.1496 47.2151 -56.1495 -22.2543 7.91279 47.2151 7.91274 2.37914 GPRESSAVG: 674600 27.8881 -55.3367 47.4607 -57.7631 -22.1422 6.95929 45.2059 9.18455 2.67546 TIMING: 674600 CPU: 2101.89, 0.00309404/step Wall: 2101.89, 0.00309404/step, 3.71749 hours remaining, 233.589844 MB of memory in use. ENERGY: 674600 3959.2044 20569.3556 14457.8714 258.0269 -202786.0970 2864.5474 0.0000 0.0000 51905.8126 -108771.2787 298.3034 -160677.0912 -108403.8547 298.8680 59.9240 86.5858 765003.7853 2.7859 2.8071 PRESSURE: 674800 5.19845 238.931 69.4457 238.932 -552.935 170.376 69.4452 170.376 -202.645 GPRESSURE: 674800 -21.7154 217.505 35.9926 116.991 -436.049 145.372 191.185 96.1297 -229.665 PRESSAVG: 674800 -15.9147 -11.078 19.7907 -11.078 8.59147 -5.04134 19.7906 -5.04143 -20.8981 GPRESSAVG: 674800 -17.1 -11.7596 20.0817 -11.9391 10.5859 -4.78801 21.018 -4.8826 -21.8589 TIMING: 674800 CPU: 2102.51, 0.0031152/step Wall: 2102.51, 0.0031152/step, 3.74274 hours remaining, 233.589844 MB of memory in use. ENERGY: 674800 4024.7069 20522.7332 14377.9831 238.2991 -202693.6502 2642.5760 0.0000 0.0000 52214.6252 -108672.7267 300.0782 -160887.3518 -108308.0355 299.4806 -250.1272 -229.1430 764434.6046 -9.4071 -9.4577 PRESSURE: 675000 -258.074 -241.497 162.995 -241.497 -296.132 -120.887 162.995 -120.888 25.7346 GPRESSURE: 675000 -199.844 -277.53 96.014 -193.125 -243.855 -48.9474 183.976 -129.466 -0.593195 PRESSAVG: 675000 -35.6879 -5.49177 21.776 -5.49172 44.5286 -5.57505 21.7759 -5.57514 -16.7905 GPRESSAVG: 675000 -33.8162 -8.42748 20.5181 -1.82311 43.6862 -5.11024 21.5157 -5.39461 -17.9413 TIMING: 675000 CPU: 2103.14, 0.00311384/step Wall: 2103.14, 0.00311385/step, 3.74094 hours remaining, 233.589844 MB of memory in use. ENERGY: 675000 4014.6287 20421.1891 14457.6353 258.3436 -202618.2693 2543.5982 0.0000 0.0000 52178.3099 -108744.5645 299.8695 -160922.8744 -108377.1072 299.6043 -176.1571 -148.0974 763745.7521 -2.6500 -2.6904 PRESSURE: 675200 149.742 -2.4473 -128.626 -2.44732 224.171 141.557 -128.625 141.556 64.4917 GPRESSURE: 675200 255.634 -14.8286 -55.6389 -82.4303 195.012 173.996 -74.4048 21.4235 29.6822 PRESSAVG: 675200 7.783 -14.2885 0.92359 -14.2885 -18.8367 22.0369 0.923591 22.0369 14.1917 GPRESSAVG: 675200 6.48302 -13.3622 0.929203 -15.1457 -19.4947 21.8734 -0.18948 22.1474 15.9468 TIMING: 675200 CPU: 2103.76, 0.00312536/step Wall: 2103.76, 0.00312537/step, 3.75461 hours remaining, 233.589844 MB of memory in use. ENERGY: 675200 3912.7454 20371.4236 14426.3833 239.7616 -203017.0485 3060.3627 0.0000 0.0000 52397.0471 -108609.3248 301.1265 -161006.3719 -108232.3825 299.3687 146.1349 160.1094 764751.8372 1.0460 0.9784 PRESSURE: 675400 -99.3245 16.5996 -144.674 16.5997 -222.666 194.179 -144.675 194.178 -189.321 GPRESSURE: 675400 -31.9566 -19.8294 -144.025 40.0324 -179.343 134.324 -180.182 280.678 -208.101 PRESSAVG: 675400 8.2079 -14.4759 -30.8406 -14.4759 -25.5671 31.3 -30.8406 31.3001 18.4919 GPRESSAVG: 675400 8.99936 -14.1148 -31.668 -15.9722 -25.6594 31.7429 -28.7552 30.5772 18.0001 TIMING: 675400 CPU: 2104.39, 0.00313922/step Wall: 2104.39, 0.00313922/step, 3.77107 hours remaining, 233.589844 MB of memory in use. ENERGY: 675400 4056.1436 20610.5045 14418.6596 243.6553 -202718.5526 2813.7009 0.0000 0.0000 52158.5721 -108417.3166 299.7560 -160575.8888 -108059.5079 300.0621 -170.4369 -139.8004 764748.6774 0.3776 0.4467 PRESSURE: 675600 -25.5548 -94.1925 4.68389 -94.1923 227.286 241.962 4.68353 241.962 425.608 GPRESSURE: 675600 50.4075 -91.6921 -93.775 -145.138 205.05 123.971 -36.2925 162.005 448.716 PRESSAVG: 675600 36.9968 -38.1246 17.9698 -38.1246 -38.1957 -14.2234 17.9698 -14.2234 -15.1108 GPRESSAVG: 675600 36.4968 -34.6708 18.2471 -38.4103 -38.2416 -15.0884 16.7345 -13.8128 -14.6503 TIMING: 675600 CPU: 2105.01, 0.00312295/step Wall: 2105.01, 0.00312295/step, 3.75135 hours remaining, 233.589844 MB of memory in use. ENERGY: 675600 3996.6429 20618.9523 14405.3398 244.2615 -203068.5371 3105.1222 0.0000 0.0000 52114.9456 -108583.2729 299.5053 -160698.2186 -108212.3888 300.2652 209.1131 234.7247 763182.1332 -5.4366 -5.4650 PRESSURE: 675800 78.1215 59.6874 73.9496 59.6869 -102.111 30.0756 73.9492 30.0757 146.519 GPRESSURE: 675800 86.0297 187.046 91.5721 -57.7538 -11.5834 -21.1494 187.782 119.891 134.703 PRESSAVG: 675800 -2.52782 -31.7275 25.8111 -31.7274 53.1746 20.3663 25.8111 20.3663 -21.4072 GPRESSAVG: 675800 -1.95627 -33.8759 26.4537 -32.6563 52.2317 20.8651 27.1199 19.2716 -21.3156 TIMING: 675800 CPU: 2105.64, 0.00310835/step Wall: 2105.64, 0.00310835/step, 3.73365 hours remaining, 233.589844 MB of memory in use. ENERGY: 675800 4043.3833 20630.5763 14366.2963 235.9769 -203318.9732 3082.3194 0.0000 0.0000 52268.0268 -108692.3941 300.3851 -160960.4209 -108320.3275 299.8152 40.8429 69.7164 763602.8622 9.7465 9.6533 PRESSURE: 676000 -39.4566 33.6998 127.662 33.6991 -292.756 -49.4184 127.662 -49.4189 -141.953 GPRESSURE: 676000 -16.7194 93.977 125.656 154.275 -240.57 -99.0131 21.6867 26.626 -133.235 PRESSAVG: 676000 -26.0538 -35.2568 -15.5856 -35.2568 -9.57922 -13.9205 -15.5856 -13.9205 -26.9724 GPRESSAVG: 676000 -26.6186 -36.9806 -15.1719 -35.2048 -8.60197 -14.5998 -17.1916 -11.3396 -26.9356 TIMING: 676000 CPU: 2106.26, 0.00310473/step Wall: 2106.26, 0.00310473/step, 3.72912 hours remaining, 233.589844 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: 676000 4018.1036 20587.9436 14339.2418 241.6396 -203032.2650 2660.3143 0.0000 0.0000 52508.5862 -108676.4360 301.7676 -161185.0222 -108308.0320 299.8865 -158.0554 -130.1746 763744.1127 -20.8685 -20.7187 PRESSURE: 676200 -238.274 86.0621 -105.136 86.0619 -69.8456 -136.571 -105.137 -136.571 111.687 GPRESSURE: 676200 -279.482 159.973 12.5917 59.61 15.4031 -143.352 -132.299 -254.436 166.751 PRESSAVG: 676200 -15.6796 -76.0902 29.03 -76.0901 57.7142 46.236 29.03 46.2359 -20.6191 GPRESSAVG: 676200 -15.0985 -75.8642 29.5071 -73.7465 57.6878 47.8318 27.9688 45.0045 -20.8425 TIMING: 676200 CPU: 2106.88, 0.0031163/step Wall: 2106.88, 0.0031163/step, 3.74285 hours remaining, 233.589844 MB of memory in use. ENERGY: 676200 4064.3793 20501.6897 14386.1108 256.9290 -202564.4018 2663.4478 0.0000 0.0000 51915.0288 -108776.8164 298.3564 -160691.8452 -108417.5195 300.0326 -65.4775 -32.4428 764196.8275 7.1385 7.2489 LDB: ============= START OF LOAD BALANCING ============== 2119.36 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2119.36 LDB: =============== DONE WITH MIGRATION ================ 2119.36 LDB: ============= START OF LOAD BALANCING ============== 2119.67 LDB: Largest compute 7005 load 0.028023 is 14.4% of average load 0.195034 LDB: Average compute 0.004353 is 2.2% of average load 0.195034 LDB: TIME 2119.68 LOAD: AVG 0.195034 MAX 0.217725 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.871 MB LDB: TIME 2119.68 LOAD: AVG 0.195034 MAX 0.217725 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.965 MB LDB: TIME 2119.68 LOAD: AVG 0.195034 MAX 0.214953 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.965 MB LDB: ============== END OF LOAD BALANCING =============== 2119.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2119.68 PRESSURE: 676400 -101.405 79.934 254.974 79.9349 -106.288 -102.196 254.973 -102.196 -394.703 GPRESSURE: 676400 -77.0818 127.985 331.379 157.062 -182.602 -123.257 130.019 23.3749 -254.965 PRESSAVG: 676400 -11.2905 -22.3211 -9.88851 -22.3211 48.484 -52.0242 -9.88854 -52.0242 14.1732 GPRESSAVG: 676400 -11.726 -22.2659 -10.5205 -22.1661 47.876 -53.4154 -9.09222 -51.6143 14.3554 TIMING: 676400 CPU: 2107.52, 0.00318778/step Wall: 2107.52, 0.00318778/step, 3.82853 hours remaining, 234.675781 MB of memory in use. ENERGY: 676400 3972.2179 20599.2251 14313.0327 235.1484 -202954.8094 2903.6812 0.0000 0.0000 52099.0568 -108832.4474 299.4140 -160931.5042 -108468.0957 299.4342 -200.7987 -171.5496 764360.8608 17.1223 16.8351 PRESSURE: 676600 -259.809 -100.479 -140.775 -100.479 132.405 242.666 -140.775 242.668 -486.737 GPRESSURE: 676600 -127.81 -119.128 -104.484 -118.956 114.268 202.177 -224.906 225.36 -511.012 PRESSAVG: 676600 12.9249 -42.8848 11.0423 -42.8848 41.419 2.43294 11.0423 2.43298 -14.2994 GPRESSAVG: 676600 14.2343 -43.6799 11.0307 -41.7693 41.9019 2.28977 9.1347 3.26642 -16.1064 TIMING: 676600 CPU: 2108.14, 0.00311658/step Wall: 2108.14, 0.00311658/step, 3.74283 hours remaining, 234.875000 MB of memory in use. ENERGY: 676600 4006.8975 20635.6566 14317.4579 251.2191 -202743.0677 2574.4012 0.0000 0.0000 52008.9089 -108948.5265 298.8959 -160957.4355 -108581.8205 298.8535 -204.7138 -174.8515 763859.4284 13.3482 13.3433 PRESSURE: 676800 210.994 158.906 69.6917 158.906 221.856 61.0495 69.6906 61.0486 197.244 GPRESSURE: 676800 214.028 34.2216 133.345 88.5251 278.891 113.83 22.3695 -93.8228 201.754 PRESSAVG: 676800 -29.5285 -42.4309 21.2232 -42.431 4.88583 19.4625 21.2232 19.4624 13.2096 GPRESSAVG: 676800 -29.6505 -41.6844 20.6043 -43.1841 4.20148 20.7753 24.0991 18.7279 14.5196 TIMING: 676800 CPU: 2108.76, 0.00309949/step Wall: 2108.76, 0.00309949/step, 3.72215 hours remaining, 234.875000 MB of memory in use. ENERGY: 676800 3988.1915 20698.8918 14418.0093 248.1194 -203399.2056 2970.0507 0.0000 0.0000 52328.0807 -108747.8622 300.7302 -161075.9429 -108381.3329 299.7022 210.0317 231.5581 762084.3537 -3.8110 -3.6432 PRESSURE: 677000 -129.487 -71.4465 158.339 -71.4466 135.363 -108.003 158.34 -108.004 -240.706 GPRESSURE: 677000 -131.591 -50.4945 170.826 95.7827 106.342 -67.9873 124.123 24.5642 -153.039 PRESSAVG: 677000 27.5564 -25.9588 39.2415 -25.9587 -34.6502 13.8103 39.2416 13.8103 12.5221 GPRESSAVG: 677000 27.5054 -26.4825 38.8246 -24.9986 -34.0065 14.3626 40.4044 13.2553 11.8127 TIMING: 677000 CPU: 2109.39, 0.00313147/step Wall: 2109.39, 0.00313147/step, 3.76038 hours remaining, 234.875000 MB of memory in use. ENERGY: 677000 4020.1252 20618.5831 14414.6113 228.9191 -202730.2332 2434.0362 0.0000 0.0000 52159.3484 -108854.6099 299.7605 -161013.9583 -108491.9381 299.8323 -78.2770 -59.4291 763366.3603 1.8095 1.7705 PRESSURE: 677200 95.2208 57.4778 27.1792 57.4782 332.365 -68.3212 27.1784 -68.3213 17.7881 GPRESSURE: 677200 148.294 -220.693 35.4343 44.3498 354.413 6.99161 6.14888 -120.863 30.6525 PRESSAVG: 677200 19.1608 40.2925 56.897 40.2925 19.9082 12.1857 56.897 12.1857 0.174028 GPRESSAVG: 677200 19.4451 40.0208 57.1541 39.1974 19.6751 10.4128 55.6872 11.5209 0.0336577 TIMING: 677200 CPU: 2110.01, 0.00312298/step Wall: 2110.01, 0.00312298/step, 3.75001 hours remaining, 234.875000 MB of memory in use. ENERGY: 677200 3952.6120 20564.9445 14356.3333 255.6424 -203119.7414 2878.2123 0.0000 0.0000 52290.3758 -108821.6211 300.5135 -161111.9968 -108451.7455 299.5086 148.4580 177.7867 761748.6238 13.0810 13.0513 PRESSURE: 677400 -254.179 16.5615 -64.4428 16.5622 5.27795 -126.418 -64.4433 -126.418 -110.024 GPRESSURE: 677400 -116.247 -13.6603 -63.9936 -26.5216 -15.0171 -166.246 -164.36 -211.084 -143.086 PRESSAVG: 677400 11.9874 -74.4801 -55.2171 -74.4801 6.52686 -5.73236 -55.2171 -5.7324 11.0489 GPRESSAVG: 677400 12.1828 -73.6116 -54.9706 -76.5765 6.56379 -5.7489 -55.1096 -3.21582 10.0527 TIMING: 677400 CPU: 2110.64, 0.00312187/step Wall: 2110.64, 0.00312187/step, 3.74849 hours remaining, 234.875000 MB of memory in use. ENERGY: 677400 3954.8032 20553.1228 14364.5100 237.1437 -203108.2098 2798.0285 0.0000 0.0000 52328.0203 -108872.5814 300.7299 -161200.6017 -108506.0460 299.7192 -119.6418 -91.4502 762645.3798 9.8544 9.5998 PRESSURE: 677600 -358.827 -109.544 109.828 -109.545 -487.499 -65.0372 109.829 -65.0375 -6.8401 GPRESSURE: 677600 -323.837 -27.2767 106.467 -127.473 -435.15 -82.4192 57.6141 6.19157 2.54044 PRESSAVG: 677600 -2.8932 -5.19842 -4.12508 -5.19844 21.9134 -33.4131 -4.12511 -33.4131 -1.5804 GPRESSAVG: 677600 -2.65483 -4.94664 -3.73579 -3.1252 21.3195 -32.7264 -4.33945 -35.1364 -1.5013 TIMING: 677600 CPU: 2111.26, 0.00311164/step Wall: 2111.26, 0.00311164/step, 3.73604 hours remaining, 234.875000 MB of memory in use. ENERGY: 677600 3934.2034 20554.0954 14365.6857 221.7123 -202499.6291 2485.7043 0.0000 0.0000 52068.6355 -108869.5924 299.2392 -160938.2280 -108493.3012 299.3858 -284.3888 -252.1487 764099.1514 5.8133 5.7211 PRESSURE: 677800 96.8315 -85.6315 -18.5549 -85.6309 -62.4249 324.018 -18.555 324.018 95.5487 GPRESSURE: 677800 127.754 14.2324 -72.8896 -27.7381 22.3677 267.062 3.12587 252.302 80.7955 PRESSAVG: 677800 26.8726 4.10245 7.19988 4.10242 -0.0295721 -4.20739 7.19989 -4.20733 -4.54318 GPRESSAVG: 677800 26.4369 3.57525 9.14966 3.91035 0.656812 -5.41968 6.98258 -4.50632 -5.08007 TIMING: 677800 CPU: 2111.88, 0.00311401/step Wall: 2111.88, 0.00311401/step, 3.73871 hours remaining, 234.875000 MB of memory in use. ENERGY: 677800 3944.5708 20569.4236 14433.0965 256.1933 -202976.6992 2816.6368 0.0000 0.0000 51846.3384 -109110.4400 297.9616 -160956.7783 -108744.9191 298.8705 43.3185 76.9725 762969.0893 7.4333 7.3379 PRESSURE: 678000 73.1006 -6.91078 -44.0411 -6.91196 67.5656 139.533 -44.0406 139.533 421.648 GPRESSURE: 678000 63.0284 -9.81538 2.93923 -71.0708 108.544 223.15 52.9849 135.236 462.215 PRESSAVG: 678000 12.6947 -29.3978 11.0345 -29.3978 -22.7092 70.3408 11.0345 70.3408 2.88543 GPRESSAVG: 678000 12.6499 -28.2103 8.7067 -29.7132 -23.1715 69.5806 12.4726 70.4963 3.26936 TIMING: 678000 CPU: 2112.5, 0.00310519/step Wall: 2112.5, 0.00310519/step, 3.72795 hours remaining, 234.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 678000 3925.6256 20580.1308 14436.9606 250.8803 -203266.1455 3035.1280 0.0000 0.0000 52004.8124 -109032.6078 298.8724 -161037.4202 -108672.8832 298.5233 187.4380 211.2625 763452.2489 -2.3764 -2.4174 PRESSURE: 678200 -32.6342 -105.904 13.3929 -105.905 -288.603 -71.0893 13.3929 -71.0901 -37.0626 GPRESSURE: 678200 -35.0369 -5.34409 42.9659 -106.233 -292.048 -36.681 -18.3485 20.1453 27.8413 PRESSAVG: 678200 13.7758 -44.8963 -1.91155 -44.8963 -53.3283 12.6608 -1.91152 12.6607 2.97706 GPRESSAVG: 678200 13.3352 -44.577 -0.419989 -45.8017 -54.7196 14.7744 -1.23047 12.0247 4.55565 TIMING: 678200 CPU: 2113.12, 0.00310939/step Wall: 2113.12, 0.00310939/step, 3.73282 hours remaining, 234.875000 MB of memory in use. ENERGY: 678200 4030.9087 20648.9433 14432.6155 251.5960 -203014.5507 2666.3414 0.0000 0.0000 51911.1538 -109072.9921 298.3341 -160984.1459 -108711.8040 299.0000 -119.4333 -99.7480 763668.0261 -12.1918 -12.2763 PRESSURE: 678400 182.599 -106.57 39.195 -106.569 106.617 88.8228 39.1943 88.823 -45.2121 GPRESSURE: 678400 221.287 -43.7111 54.7476 -188.142 46.3526 57.8619 55.1214 98.1402 34.9337 PRESSAVG: 678400 16.9782 -39.5408 11.85 -39.5407 -24.3182 60.049 11.85 60.049 6.2228 GPRESSAVG: 678400 17.0487 -40.9287 11.3315 -40.2972 -23.1174 59.0246 12.2729 58.5224 5.37047 TIMING: 678400 CPU: 2113.75, 0.00310714/step Wall: 2113.75, 0.00310714/step, 3.72994 hours remaining, 234.875000 MB of memory in use. ENERGY: 678400 3959.6268 20492.4960 14457.8461 259.7041 -203232.6801 3035.9167 0.0000 0.0000 52069.1047 -108957.9856 299.2419 -161027.0903 -108599.3945 298.5234 81.3344 100.8580 764265.9141 -0.3724 -0.2327 PRESSURE: 678600 -86.7956 -64.8352 -121.641 -64.8357 12.8057 146.511 -121.641 146.511 322.134 GPRESSURE: 678600 -25.6749 -15.7591 -174.862 33.2574 4.01923 188.103 -158.132 153.1 365.908 PRESSAVG: 678600 21.5974 -10.5562 -24.0193 -10.5563 -35.6469 -15.1081 -24.0194 -15.1081 -5.16754 GPRESSAVG: 678600 22.1355 -9.28481 -25.3689 -8.80652 -35.9732 -15.5701 -24.0488 -13.1316 -5.30312 TIMING: 678600 CPU: 2114.37, 0.00309718/step Wall: 2114.37, 0.00309718/step, 3.71782 hours remaining, 234.875000 MB of memory in use. ENERGY: 678600 4029.2166 20624.4586 14416.1736 243.7255 -203224.0065 2897.0888 0.0000 0.0000 51820.9768 -109192.3666 297.8159 -161013.3433 -108828.4590 298.9958 82.7145 114.7509 763591.1096 -6.4057 -6.3803 PRESSURE: 678800 -183.059 197.697 -29.5042 197.697 -318.8 65.2791 -29.5044 65.2795 -169.322 GPRESSURE: 678800 -191.026 164.996 -22.6273 62.6003 -253.904 35.6216 58.1683 -80.0883 -166.832 PRESSAVG: 678800 59.032 -22.6119 37.1738 -22.6119 -38.3289 53.5704 37.1737 53.5704 0.0860979 GPRESSAVG: 678800 59.8796 -22.2382 37.9747 -25.2203 -38.8299 53.666 36.8113 54.458 -0.520335 TIMING: 678800 CPU: 2114.99, 0.00310087/step Wall: 2114.99, 0.00310087/step, 3.72207 hours remaining, 234.875000 MB of memory in use. ENERGY: 678800 4049.2670 20568.7156 14431.7814 252.6526 -203523.8810 2915.4490 0.0000 0.0000 52068.7515 -109237.2638 299.2398 -161306.0152 -108880.0280 298.9922 -223.7271 -203.9209 764026.2052 6.9298 6.8431 PRESSURE: 679000 -380.073 -161.081 63.6062 -161.081 -286.183 -81.8953 63.6065 -81.8951 -179.154 GPRESSURE: 679000 -348.231 -122.665 80.5639 -115.265 -267.594 -156.18 16.5838 -64.5883 -147.555 PRESSAVG: 679000 36.0413 -29.8829 -30.4198 -29.8829 -40.1247 -4.44615 -30.4198 -4.44612 10.8143 GPRESSAVG: 679000 34.4932 -32.0405 -29.83 -26.6044 -40.1387 -5.11733 -30.0298 -8.34145 12.1973 TIMING: 679000 CPU: 2115.61, 0.00310799/step Wall: 2115.61, 0.00310799/step, 3.73046 hours remaining, 234.875000 MB of memory in use. ENERGY: 679000 4040.4585 20498.7766 14464.2634 252.9841 -202807.0036 2496.6253 0.0000 0.0000 52025.2959 -109028.5998 298.9901 -161053.8957 -108671.2821 299.0114 -281.8030 -254.4601 764938.7251 2.2436 2.1839 PRESSURE: 679200 -78.5932 -34.923 -138.13 -34.924 -161.766 160.681 -138.131 160.682 206.764 GPRESSURE: 679200 -7.16211 51.0813 -136.69 -79.2264 -195.144 175.826 -111.639 149.876 256.802 PRESSAVG: 679200 42.4684 -13.1234 -15.8019 -13.1235 -10.608 2.92913 -15.8019 2.92914 -28.0235 GPRESSAVG: 679200 41.449 -10.6472 -17.0068 -14.4074 -9.10482 2.70928 -17.308 7.20778 -28.0935 TIMING: 679200 CPU: 2116.23, 0.00311482/step Wall: 2116.23, 0.00311482/step, 3.73847 hours remaining, 234.875000 MB of memory in use. ENERGY: 679200 4017.2307 20356.1834 14415.4787 247.0951 -203090.2823 2944.9601 0.0000 0.0000 52028.6510 -109080.6833 299.0094 -161109.3344 -108718.6047 299.1796 -11.1983 18.1653 763930.1863 1.2790 1.4169 PRESSURE: 679400 71.2106 -12.7095 80.3618 -12.7091 -28.5202 -142.661 80.3617 -142.66 153.938 GPRESSURE: 679400 84.2009 35.1214 34.0099 105.22 8.6234 -79.2171 -29.621 -189.265 187.932 PRESSAVG: 679400 63.483 18.068 10.5396 18.068 -52.3923 14.0855 10.5395 14.0855 -0.963746 GPRESSAVG: 679400 65.0504 17.0835 10.6377 16.9329 -54.3104 14.6111 10.2864 14.4059 -0.94563 TIMING: 679400 CPU: 2116.85, 0.00312482/step Wall: 2116.85, 0.00312482/step, 3.75031 hours remaining, 234.875000 MB of memory in use. ENERGY: 679400 4000.8448 20696.2877 14416.5815 236.5990 -202773.2957 2457.6288 0.0000 0.0000 52025.0821 -108940.2717 298.9889 -160965.3538 -108575.2950 299.1307 65.5427 93.5853 763954.9391 3.3757 3.2648 PRESSURE: 679600 -194.728 -40.1636 333.877 -40.1629 -367.767 -59.5833 333.878 -59.5834 72.0663 GPRESSURE: 679600 -232.033 52.1062 339.31 14.0872 -344.438 -125.958 308.28 -63.7716 154.548 PRESSAVG: 679600 -21.456 4.57283 3.41432 4.57286 -24.9148 1.80451 3.41431 1.80438 -8.86 GPRESSAVG: 679600 -22.2714 3.03815 3.96384 3.4535 -23.7153 4.18225 3.78311 -1.40029 -9.74179 TIMING: 679600 CPU: 2117.48, 0.0031214/step Wall: 2117.48, 0.0031214/step, 3.74603 hours remaining, 234.875000 MB of memory in use. ENERGY: 679600 3968.8095 20661.4465 14440.5133 228.6644 -202726.9237 2712.0395 0.0000 0.0000 51860.1942 -108855.2563 298.0412 -160715.4506 -108488.2274 299.7324 -163.4762 -140.6413 764143.8748 -18.4103 -18.5762 PRESSURE: 679800 -366.885 94.583 -108.251 94.5827 -306.667 -11.2369 -108.251 -11.2372 -224.927 GPRESSURE: 679800 -213.845 171.596 -145.531 127.962 -313.913 63.8866 -132.22 -130.577 -294.749 PRESSAVG: 679800 -33.9436 -7.52495 -8.95351 -7.52501 30.0132 11.2433 -8.95344 11.2433 5.80811 GPRESSAVG: 679800 -33.6582 -7.27535 -9.00872 -5.54125 30.2304 9.18179 -9.69998 12.888 5.50258 TIMING: 679800 CPU: 2118.1, 0.00311773/step Wall: 2118.1, 0.00311773/step, 3.74145 hours remaining, 234.875000 MB of memory in use. ENERGY: 679800 3973.2212 20500.8112 14387.7722 272.7684 -203068.0542 2727.0777 0.0000 0.0000 52364.4634 -108841.9400 300.9393 -161206.4034 -108473.9137 299.8061 -299.4931 -274.1690 764740.7576 0.6259 0.6916 PRESSURE: 680000 -99.797 -43.9045 -191.188 -43.9045 -191.63 110.44 -191.188 110.44 -305.629 GPRESSURE: 680000 -39.8169 0.573936 -199.21 -108.804 -174.132 142.826 -197.741 -2.05887 -286.774 PRESSAVG: 680000 -5.45939 14.2203 53.3865 14.2202 -19.2085 -62.6837 53.3864 -62.6838 28.7767 GPRESSAVG: 680000 -6.63323 13.7315 54.3963 15.213 -19.0398 -61.5691 53.1083 -64.831 29.013 TIMING: 680000 CPU: 2118.72, 0.00311007/step Wall: 2118.72, 0.00311007/step, 3.73209 hours remaining, 234.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 680000 4024.4279 20547.6831 14468.2082 263.7496 -202945.4227 2823.6738 0.0000 0.0000 52028.4229 -108789.2571 299.0081 -160817.6801 -108434.5244 299.9168 -199.0187 -166.9075 764594.8257 1.3696 1.1133 PRESSURE: 680200 -132.185 78.685 147.487 78.6842 193.553 -69.033 147.487 -69.0318 158.41 GPRESSURE: 680200 -30.631 -80.1333 212.206 174.117 117.105 -63.7922 212.009 -77.7738 201.984 PRESSAVG: 680200 -25.3281 -34.2886 -0.0477086 -34.2887 28.4958 -20.6365 -0.0477639 -20.6365 -12.5402 GPRESSAVG: 680200 -24.6811 -34.4669 -0.33656 -33.9924 27.346 -21.7117 -0.287406 -18.6087 -11.9056 TIMING: 680200 CPU: 2119.35, 0.00311054/step Wall: 2119.35, 0.00311054/step, 3.73248 hours remaining, 234.875000 MB of memory in use. ENERGY: 680200 4003.3868 20703.5091 14410.1617 263.8240 -203198.0529 2978.8492 0.0000 0.0000 51955.0882 -108883.2340 298.5866 -160838.3222 -108525.2500 299.5010 73.2594 96.1527 764056.2383 -3.1242 -3.0803 LDB: ============= START OF LOAD BALANCING ============== 2131.82 LDB: ============== END OF LOAD BALANCING =============== 2131.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2131.83 LDB: ============= START OF LOAD BALANCING ============== 2132.14 LDB: Largest compute 6972 load 0.028370 is 14.5% of average load 0.195041 LDB: Average compute 0.004384 is 2.2% of average load 0.195041 LDB: TIME 2132.14 LOAD: AVG 0.195041 MAX 0.217632 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.477 MB LDB: TIME 2132.14 LOAD: AVG 0.195041 MAX 0.217632 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.477 MB LDB: TIME 2132.14 LOAD: AVG 0.195041 MAX 0.217632 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.477 MB LDB: ============== END OF LOAD BALANCING =============== 2132.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2132.15 PRESSURE: 680400 65.348 -26.9355 -139.001 -26.9363 -177.242 -177.88 -139.003 -177.881 -260.024 GPRESSURE: 680400 138.071 -52.8962 -142.581 -22.8866 -211.769 -181.776 -101.379 -84.723 -236.821 PRESSAVG: 680400 -16.8038 -15.3131 26.3715 -15.3131 42.0185 -19.3986 26.3715 -19.3985 -9.93897 GPRESSAVG: 680400 -17.0607 -13.0283 25.3203 -18.1085 42.3809 -18.9015 28.0516 -19.6072 -10.2344 TIMING: 680400 CPU: 2119.98, 0.00318324/step Wall: 2119.98, 0.00318324/step, 3.81954 hours remaining, 234.675781 MB of memory in use. ENERGY: 680400 4058.4362 20625.4305 14472.4749 258.8344 -203344.7644 2906.3386 0.0000 0.0000 52195.3930 -108827.8567 299.9676 -161023.2497 -108469.3108 299.4717 -123.9725 -103.5063 763706.3935 5.0919 5.0286 PRESSURE: 680600 22.2754 -300.728 -6.20061 -300.728 -91.2928 174.615 -6.20007 174.615 -186.689 GPRESSURE: 680600 52.6523 -254.504 40.6861 -308.633 -57.3437 176.579 27.0937 179.321 -164.961 PRESSAVG: 680600 54.5093 -14.5314 8.69631 -14.5314 -51.5596 38.0892 8.69632 38.0893 6.65511 GPRESSAVG: 680600 54.6067 -14.9043 8.5771 -14.4566 -52.1783 38.1963 7.90463 39.7523 7.43704 TIMING: 680600 CPU: 2120.61, 0.00313289/step Wall: 2120.61, 0.00313289/step, 3.75894 hours remaining, 234.675781 MB of memory in use. ENERGY: 680600 4067.5411 20808.5455 14400.4377 244.0958 -203104.6713 2671.9302 0.0000 0.0000 52217.3583 -108694.7627 300.0939 -160912.1211 -108336.9935 300.2724 -85.2354 -56.5507 764120.8164 3.2016 3.2885 PRESSURE: 680800 -135.59 68.3881 263.145 68.3876 -290.235 -81.0224 263.144 -81.0229 21.1079 GPRESSURE: 680800 -46.8141 134.758 261.92 -5.11515 -303.586 -61.3033 190.064 37.0324 29.947 PRESSAVG: 680800 -41.0302 -23.1425 3.872 -23.1425 10.1808 13.6993 3.87205 13.6993 -27.8638 GPRESSAVG: 680800 -41.0364 -25.0525 5.4301 -21.5345 11.3619 13.7863 2.36656 11.2482 -28.9806 TIMING: 680800 CPU: 2121.24, 0.00313328/step Wall: 2121.24, 0.00313328/step, 3.75924 hours remaining, 234.675781 MB of memory in use. ENERGY: 680800 4047.2529 20762.2788 14395.1954 262.6249 -202977.1095 2762.3033 0.0000 0.0000 51882.1990 -108865.2551 298.1677 -160747.4542 -108514.5010 299.7300 -134.9059 -106.8177 764010.2392 -19.5711 -19.5517 PRESSURE: 681000 233.179 -110.662 244.559 -110.662 -161.915 87.0234 244.559 87.0238 337.089 GPRESSURE: 681000 385.225 -235.23 125.187 -30.4615 -128.367 105.378 198.373 123.306 267.867 PRESSAVG: 681000 6.55158 -75.2144 -24.6898 -75.2144 -26.686 -59.5903 -24.6898 -59.5903 2.11911 GPRESSAVG: 681000 7.36462 -75.7647 -26.8518 -74.5498 -28.6129 -59.1334 -23.8753 -59.4258 2.41708 TIMING: 681000 CPU: 2121.86, 0.0031296/step Wall: 2121.86, 0.0031296/step, 3.75465 hours remaining, 234.675781 MB of memory in use. ENERGY: 681000 4012.4975 20602.8782 14411.5765 239.5097 -203080.2356 2824.0671 0.0000 0.0000 52071.4594 -108918.2472 299.2554 -160989.7066 -108556.9374 299.2534 136.1178 174.9082 762125.5731 -6.0051 -6.2771 PRESSURE: 681200 -177.167 -154.098 -133.909 -154.097 -356.674 145.232 -133.909 145.233 -46.841 GPRESSURE: 681200 -133.353 -165.257 -192.122 -159.087 -288.587 192.547 -89.5714 307.681 -71.138 PRESSAVG: 681200 3.32157 -57.8621 -0.502518 -57.8621 -3.31504 -31.0357 -0.502538 -31.0357 -11.2512 GPRESSAVG: 681200 2.93739 -57.1213 0.736171 -58.7083 -2.06543 -31.4581 -0.265294 -30.7188 -11.4683 TIMING: 681200 CPU: 2122.49, 0.00312884/step Wall: 2122.49, 0.00312884/step, 3.75357 hours remaining, 234.675781 MB of memory in use. ENERGY: 681200 3982.9906 20502.2528 14450.5014 239.6881 -202645.3191 2470.3893 0.0000 0.0000 52177.1601 -108822.3367 299.8629 -160999.4969 -108450.5763 299.1458 -193.5607 -164.3594 763917.7692 -3.7482 -3.5321 PRESSURE: 681400 -214.783 -4.49327 37.1681 -4.49301 -63.1148 110.117 37.167 110.116 -224.384 GPRESSURE: 681400 -215.681 -166.003 103.777 45.5125 -75.9677 29.6741 57.3914 121.206 -138.853 PRESSAVG: 681400 -35.5522 -69.285 -9.61276 -69.285 42.7211 -16.5286 -9.61279 -16.5287 -1.63729 GPRESSAVG: 681400 -34.8368 -67.9257 -9.33822 -70.7227 42.6874 -17.2564 -9.38492 -15.9346 -1.53256 TIMING: 681400 CPU: 2123.11, 0.00312735/step Wall: 2123.11, 0.00312735/step, 3.7516 hours remaining, 234.675781 MB of memory in use. ENERGY: 681400 4033.3726 20649.4357 14496.4763 235.0614 -203117.8414 2787.3427 0.0000 0.0000 52012.2947 -108903.8581 298.9154 -160916.1528 -108549.1581 299.4676 -167.4273 -143.5004 763836.2988 1.8438 2.1060 PRESSURE: 681600 297.785 12.5895 245.718 12.5896 -216.258 -184.1 245.718 -184.101 40.0182 GPRESSURE: 681600 290.156 -12.2983 218.776 -7.73953 -99.2469 -78.2277 270.524 -30.2144 29.9107 PRESSAVG: 681600 -24.1821 -27.3046 -34.5382 -27.3046 15.0579 31.8292 -34.5383 31.8293 8.67337 GPRESSAVG: 681600 -24.9487 -27.2774 -34.9797 -27.2638 13.6885 33.6508 -34.5778 31.214 10.3277 TIMING: 681600 CPU: 2123.74, 0.00312165/step Wall: 2123.74, 0.00312165/step, 3.7446 hours remaining, 234.675781 MB of memory in use. ENERGY: 681600 4067.3633 20490.7108 14390.4641 264.1385 -203341.9892 2989.6313 0.0000 0.0000 52166.7184 -108972.9628 299.8028 -161139.6812 -108601.9091 299.3987 40.5151 73.6066 763146.2178 -0.1503 -0.3108 PRESSURE: 681800 95.4158 16.391 -200.306 16.391 -132.094 -206.85 -200.306 -206.851 62.1236 GPRESSURE: 681800 177.4 154.718 -246.125 -5.14217 -91.0569 -264.826 -209.114 -175.615 18.7673 PRESSAVG: 681800 -9.4883 27.5192 -14.6825 27.5193 -20.6569 -17.3937 -14.6825 -17.3938 10.2279 GPRESSAVG: 681800 -9.56676 28.6187 -14.5031 29.2173 -19.5294 -18.6799 -13.8278 -16.3161 9.50225 TIMING: 681800 CPU: 2124.36, 0.00312144/step Wall: 2124.36, 0.00312144/step, 3.74417 hours remaining, 234.675781 MB of memory in use. ENERGY: 681800 4003.1250 20655.8431 14534.4603 249.6658 -203737.5191 3301.8322 0.0000 0.0000 52203.0792 -108789.5135 300.0118 -160992.5927 -108433.7484 299.3811 8.4817 35.0369 762821.4230 -6.6391 -6.5313 PRESSURE: 682000 -201.01 90.7412 10.3216 90.7425 -73.0155 71.2204 10.3225 71.2197 55.6907 GPRESSURE: 682000 -115.972 35.6824 31.6083 130.731 -125.173 7.14297 123.534 -38.4022 85.4982 PRESSAVG: 682000 17.5809 42.2969 52.9273 42.2969 -24.7924 3.5234 52.9273 3.52342 27.7225 GPRESSAVG: 682000 17.2062 41.1044 52.8912 40.4084 -23.8755 3.78954 52.9672 3.41254 26.9532 TIMING: 682000 CPU: 2124.98, 0.00309585/step Wall: 2124.98, 0.00309585/step, 3.7133 hours remaining, 234.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 682000 4058.7741 20543.2514 14465.1947 259.8145 -202961.0704 2562.0389 0.0000 0.0000 52203.0343 -108868.9624 300.0116 -161071.9967 -108500.1163 299.4270 -72.7783 -51.8822 762728.9489 6.8370 6.7613 PRESSURE: 682200 -27.6581 121.584 65.6623 121.584 -121.347 11.4003 65.6613 11.4001 -231.234 GPRESSURE: 682200 -30.1225 63.9472 84.5272 10.8712 -90.7467 -13.1968 42.7057 11.9545 -168.619 PRESSAVG: 682200 16.065 -29.5961 -31.9787 -29.5961 -19.4404 -1.5193 -31.9788 -1.51932 -0.121683 GPRESSAVG: 682200 17.5819 -29.5325 -33.3142 -29.4678 -20.8342 -2.09438 -31.6059 -2.23902 -0.602614 TIMING: 682200 CPU: 2125.6, 0.00310817/step Wall: 2125.6, 0.00310817/step, 3.72791 hours remaining, 234.675781 MB of memory in use. ENERGY: 682200 3921.9958 20622.7968 14523.5076 248.9236 -203005.4377 2657.4700 0.0000 0.0000 51898.8298 -109131.9141 298.2633 -161030.7439 -108763.4218 299.0315 -126.7461 -96.4960 763342.8105 -1.1657 -1.2850 PRESSURE: 682400 360.857 219.118 -87.3029 219.118 -150.498 96.9749 -87.3039 96.9752 -186.778 GPRESSURE: 682400 393.532 236.004 -69.2733 286.446 -142.784 -35.5383 -126.124 153.819 -162.917 PRESSAVG: 682400 18.8275 -29.4982 -3.18681 -29.4983 -34.9395 17.9761 -3.18694 17.9761 28.5753 GPRESSAVG: 682400 16.3161 -27.07 0.509971 -28.356 -34.5072 17.7807 -4.1808 18.4387 30.1392 TIMING: 682400 CPU: 2126.23, 0.00312546/step Wall: 2126.23, 0.00312546/step, 3.74847 hours remaining, 234.675781 MB of memory in use. ENERGY: 682400 3931.0364 20612.0638 14486.8611 245.4769 -203262.1903 2818.0856 0.0000 0.0000 52096.6434 -109072.0231 299.4001 -161168.6665 -108704.6839 299.1621 7.8604 29.2771 764525.5472 4.1544 3.9827 PRESSURE: 682600 39.0814 -40.6194 160.305 -40.6193 -250.907 172.548 160.305 172.547 -138.275 GPRESSURE: 682600 15.1347 0.465852 126.219 69.9966 -217.741 61.5301 169.276 61.7148 -58.9764 PRESSAVG: 682600 28.7552 -31.1858 9.3985 -31.1858 -9.95203 42.2936 9.39858 42.2937 3.61178 GPRESSAVG: 682600 29.9732 -34.7526 5.8172 -29.8387 -9.65739 40.4477 11.739 42.1208 2.42542 TIMING: 682600 CPU: 2126.85, 0.00311648/step Wall: 2126.85, 0.00311648/step, 3.73753 hours remaining, 234.675781 MB of memory in use. ENERGY: 682600 4084.8253 20726.5227 14529.8203 240.3691 -202934.7687 2641.8213 0.0000 0.0000 52070.4142 -108640.9958 299.2494 -160711.4100 -108287.9442 299.9469 -116.7003 -87.1943 765358.2089 7.4716 7.5804 PRESSURE: 682800 -18.5304 10.9641 -21.0343 10.9632 -162.936 300.879 -21.0354 300.88 117.835 GPRESSURE: 682800 8.79467 62.9279 -51.2988 -88.473 -98.6224 286.039 5.43438 128.735 83.5522 PRESSAVG: 682800 32.8441 -9.30622 -1.06968 -9.30627 -54.4057 16.1523 -1.06964 16.1523 2.66267 GPRESSAVG: 682800 33.1798 -7.51834 0.111692 -10.4023 -54.2673 18.7281 -2.0067 15.4712 2.84057 TIMING: 682800 CPU: 2127.48, 0.00312777/step Wall: 2127.48, 0.00312777/step, 3.75089 hours remaining, 234.675781 MB of memory in use. ENERGY: 682800 4015.1350 20651.0825 14522.2917 253.7387 -203414.4138 2922.1136 0.0000 0.0000 52432.2222 -108617.8300 301.3287 -161050.0523 -108261.8218 299.8824 -21.2106 -2.0918 764684.7595 -6.2997 -6.0823 PRESSURE: 683000 192.782 15.9615 -47.3247 15.9617 -106.851 -237.175 -47.3251 -237.175 169.111 GPRESSURE: 683000 93.5626 -68.2182 -105.737 -27.3164 25.8664 -226.202 64.4483 -159.625 212.658 PRESSAVG: 683000 44.6257 14.9648 9.9467 14.9647 -77.689 10.5611 9.94667 10.561 -6.99453 GPRESSAVG: 683000 43.6604 13.1581 10.8193 14.167 -77.3013 12.5597 10.0998 11.6376 -6.44648 TIMING: 683000 CPU: 2128.11, 0.00314218/step Wall: 2128.11, 0.00314218/step, 3.768 hours remaining, 234.675781 MB of memory in use. ENERGY: 683000 4032.9342 20695.5083 14485.1407 239.5805 -202863.7504 2662.5632 0.0000 0.0000 52006.3040 -108741.7193 298.8809 -160748.0234 -108366.7358 299.9962 85.0138 110.6958 764955.7832 -13.3526 -13.3624 PRESSURE: 683200 129.291 78.0454 -48.4671 78.0445 -232.848 -145.34 -48.467 -145.34 85.481 GPRESSURE: 683200 96.4542 4.7477 25.1865 135.321 -158.964 -120.836 11.458 -142.2 117.704 PRESSAVG: 683200 46.7333 -47.0816 -6.29929 -47.0816 -66.3241 55.5366 -6.29929 55.5366 25.5832 GPRESSAVG: 683200 46.1398 -45.6719 -5.64918 -47.9419 -65.146 51.9126 -6.96051 56.0374 24.835 TIMING: 683200 CPU: 2128.74, 0.00314869/step Wall: 2128.74, 0.00314869/step, 3.77563 hours remaining, 234.675781 MB of memory in use. ENERGY: 683200 4058.0326 20464.6532 14597.2084 255.7351 -203109.7821 2747.3069 0.0000 0.0000 52255.5065 -108731.3394 300.3131 -160986.8459 -108358.3764 299.7659 -6.0253 18.3981 763751.5974 1.9975 1.9429 PRESSURE: 683400 -429.707 94.8149 0.624166 94.8144 -178.281 151.274 0.6247 151.274 109.613 GPRESSURE: 683400 -364.254 77.3838 133.67 -66.2241 -175.985 156.437 -5.87548 205.267 125.985 PRESSAVG: 683400 -51.2303 -6.67328 31.9205 -6.67333 -17.1764 -3.72254 31.9205 -3.72253 -8.32975 GPRESSAVG: 683400 -50.4547 -6.2416 29.8452 -6.51232 -18.201 -3.22916 33.4843 -3.58188 -8.34285 TIMING: 683400 CPU: 2129.37, 0.00315304/step Wall: 2129.37, 0.00315304/step, 3.78067 hours remaining, 234.675781 MB of memory in use. ENERGY: 683400 4054.9514 20626.9139 14468.1481 236.3769 -203157.6629 2683.6622 0.0000 0.0000 52242.2517 -108845.3588 300.2369 -161087.6105 -108489.4644 299.0011 -166.1252 -138.0845 764441.5550 -25.5788 -25.6662 PRESSURE: 683600 -174.805 38.2513 -155.143 38.251 -281.378 164.916 -155.143 164.916 155.795 GPRESSURE: 683600 -204.395 34.1413 -156.776 76.6623 -276.245 156.227 -161.204 38.8804 264.345 PRESSAVG: 683600 -22.6156 -4.82308 -33.2642 -4.82311 0.560916 -53.9322 -33.2642 -53.932 -23.0519 GPRESSAVG: 683600 -22.9487 -4.74285 -33.0321 -3.38533 0.540656 -54.0251 -33.8102 -55.1412 -22.6566 TIMING: 683600 CPU: 2130, 0.00315366/step Wall: 2130, 0.00315366/step, 3.78124 hours remaining, 234.675781 MB of memory in use. ENERGY: 683600 4025.1837 20603.9430 14494.6073 256.6171 -203027.8992 2732.7269 0.0000 0.0000 52007.2060 -108907.6152 298.8861 -160914.8212 -108544.0587 299.7766 -100.1293 -72.0981 763292.9419 -15.0356 -15.0215 PRESSURE: 683800 -97.5726 -21.9543 61.4847 -21.9548 -178.867 59.7526 61.4853 59.7516 126.544 GPRESSURE: 683800 -60.8772 -14.9549 93.1527 -27.6226 -128.334 36.418 123.981 11.9585 117.953 PRESSAVG: 683800 18.6657 -5.90016 12.0349 -5.90018 -67.9942 5.25378 12.0349 5.2537 6.57066 GPRESSAVG: 683800 18.179 -6.75499 11.3796 -7.03485 -67.854 5.66743 10.8469 4.70266 6.61085 TIMING: 683800 CPU: 2130.63, 0.00314175/step Wall: 2130.63, 0.00314175/step, 3.76678 hours remaining, 234.675781 MB of memory in use. ENERGY: 683800 3959.9815 20593.9188 14469.1678 258.1463 -202965.1366 2717.6141 0.0000 0.0000 52039.3125 -108926.9956 299.0706 -160966.3081 -108576.7585 298.9972 -49.9651 -23.7527 762421.8400 -14.2526 -14.3547 PRESSURE: 684000 71.8818 150.049 -128.681 150.049 41.9854 137.161 -128.681 137.161 79.3921 GPRESSURE: 684000 29.2638 116.943 -197.778 148.313 147.078 106.515 -24.3283 2.60983 97.4014 PRESSAVG: 684000 17.2735 -21.9532 -33.3396 -21.9532 -10.8423 21.0952 -33.3396 21.0952 7.99434 GPRESSAVG: 684000 16.5153 -23.1374 -32.239 -20.6382 -10.728 20.7243 -33.9246 21.5293 8.21896 TIMING: 684000 CPU: 2131.26, 0.00316901/step Wall: 2131.26, 0.00316901/step, 3.79929 hours remaining, 234.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 684000 4089.7410 20657.4566 14466.9798 246.0814 -203541.6467 3077.6501 0.0000 0.0000 51974.4387 -109029.2992 298.6978 -161003.7379 -108670.4982 299.2307 64.4198 91.2478 762493.5645 4.8085 4.6687 PRESSURE: 684200 -296.48 7.47811 -128.327 7.47849 -66.7592 -23.7918 -128.326 -23.7929 37.8248 GPRESSURE: 684200 -205.284 79.618 -108.439 -22.8898 -50.6507 -22.755 -135.24 33.5653 7.0508 PRESSAVG: 684200 -13.0101 -22.9094 -46.5838 -22.9094 26.4866 6.21694 -46.5837 6.21686 -13.4609 GPRESSAVG: 684200 -11.6028 -21.0528 -46.1657 -24.4208 25.8078 7.55513 -44.6406 3.75211 -14.3085 TIMING: 684200 CPU: 2131.89, 0.00316164/step Wall: 2131.89, 0.00316164/step, 3.79027 hours remaining, 234.675781 MB of memory in use. ENERGY: 684200 4024.2950 20814.0091 14374.2553 238.5366 -203349.9829 2686.9151 0.0000 0.0000 52223.9406 -108988.0312 300.1317 -161211.9718 -108624.4658 299.2684 -108.4714 -82.9613 763101.8779 0.0052 -0.0345 LDB: ============= START OF LOAD BALANCING ============== 2144.37 LDB: ============== END OF LOAD BALANCING =============== 2144.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2144.37 LDB: ============= START OF LOAD BALANCING ============== 2144.69 LDB: Largest compute 6983 load 0.030194 is 15.5% of average load 0.195028 LDB: Average compute 0.004355 is 2.2% of average load 0.195028 LDB: TIME 2144.69 LOAD: AVG 0.195028 MAX 0.216531 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.445 MB LDB: TIME 2144.69 LOAD: AVG 0.195028 MAX 0.216531 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.609 MB LDB: TIME 2144.69 LOAD: AVG 0.195028 MAX 0.216531 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.609 MB LDB: ============== END OF LOAD BALANCING =============== 2144.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2144.7 PRESSURE: 684400 -241.42 -6.82033 163.399 -6.81983 349.077 33.4206 163.398 33.4205 295.052 GPRESSURE: 684400 -184.72 116.5 131.133 25.0502 335.14 -13.6003 200.961 109.576 317.502 PRESSAVG: 684400 -27.6722 -30.8735 -27.5172 -30.8735 17.705 61.0901 -27.5172 61.0901 5.55322 GPRESSAVG: 684400 -28.0589 -31.7072 -26.716 -30.6294 17.6237 60.3243 -29.3662 63.5065 6.23147 TIMING: 684400 CPU: 2132.53, 0.00320989/step Wall: 2132.53, 0.00320989/step, 3.84794 hours remaining, 235.312500 MB of memory in use. ENERGY: 684400 4056.7326 20783.1660 14388.8897 244.2480 -203275.9805 2938.0021 0.0000 0.0000 51947.6374 -108917.3049 298.5438 -160864.9423 -108557.6076 299.2653 134.2365 155.9740 763265.8645 -1.4713 -1.4012 PRESSURE: 684600 131.05 -175.578 7.88364 -175.577 342.573 135.117 7.88377 135.115 81.3286 GPRESSURE: 684600 255.776 -205.795 29.2313 -75.4582 356.694 232.89 -98.4937 0.518134 30.7176 PRESSAVG: 684600 33.4552 14.06 -31.8679 14.0601 8.80216 85.6553 -31.8678 85.6553 -17.6535 GPRESSAVG: 684600 32.9122 14.2858 -32.9725 14.7459 9.96017 86.3116 -30.909 86.1793 -17.566 TIMING: 684600 CPU: 2133.16, 0.00314528/step Wall: 2133.16, 0.00314528/step, 3.77031 hours remaining, 235.312500 MB of memory in use. ENERGY: 684600 3961.4652 20686.7451 14396.1571 258.4649 -203035.3770 2868.5772 0.0000 0.0000 51918.4083 -108945.5591 298.3758 -160863.9674 -108592.0855 299.4672 184.9839 214.3957 762808.8137 8.2013 8.4355 PRESSURE: 684800 226.143 -43.6362 -107.32 -43.6375 -306.409 -19.3961 -107.319 -19.3949 141.915 GPRESSURE: 684800 234.254 -80.7078 -116.53 -70.4246 -205.931 72.303 -114.966 -46.5772 128.637 PRESSAVG: 684800 18.4372 -9.13024 -15.5106 -9.13017 49.3082 55.5792 -15.5106 55.5792 -14.1122 GPRESSAVG: 684800 18.6931 -9.65357 -17.8457 -8.07802 49.5003 54.5817 -14.9059 56.5751 -14.1464 TIMING: 684800 CPU: 2133.79, 0.00311863/step Wall: 2133.79, 0.00311863/step, 3.7382 hours remaining, 235.312500 MB of memory in use. ENERGY: 684800 4033.8556 20547.8248 14436.5696 248.1119 -203053.7007 2854.2728 0.0000 0.0000 51936.6950 -108996.3710 298.4809 -160933.0660 -108624.3155 299.0196 20.5497 52.3198 762630.4137 17.8777 18.0157 PRESSURE: 685000 -214.122 -48.2324 -255.588 -48.2315 -225.461 71.7362 -255.588 71.7362 -310.101 GPRESSURE: 685000 -60.5861 -92.7103 -327.861 6.81043 -258.099 -30.6707 -130.912 28.1642 -353.46 PRESSAVG: 685000 29.7956 -27.5913 -65.3219 -27.5912 -7.72948 36.0499 -65.3219 36.0499 13.1194 GPRESSAVG: 685000 29.7831 -27.1623 -63.3562 -28.5627 -7.36504 35.2144 -65.5765 36.2573 12.7126 TIMING: 685000 CPU: 2134.41, 0.00311718/step Wall: 2134.41, 0.00311718/step, 3.73629 hours remaining, 235.312500 MB of memory in use. ENERGY: 685000 4056.8736 20481.9381 14403.5537 253.8753 -203213.2850 2922.4292 0.0000 0.0000 52161.7483 -108932.8666 299.7743 -161094.6150 -108555.7457 299.0485 -249.8943 -224.0483 763858.1638 11.7285 11.7102 PRESSURE: 685200 191.752 30.1694 -78.6303 30.1695 250.091 26.6268 -78.6302 26.6278 291.504 GPRESSURE: 685200 272.992 12.9942 -84.501 -2.64763 215.65 78.4691 -68.4252 30.0334 338.633 PRESSAVG: 685200 -34.6194 11.1983 -61.4817 11.1984 5.22523 23.0639 -61.4818 23.064 8.42751 GPRESSAVG: 685200 -33.4542 11.2068 -61.6529 10.8334 3.62147 24.9375 -60.6612 20.7777 9.10862 TIMING: 685200 CPU: 2135.03, 0.00311761/step Wall: 2135.03, 0.0031176/step, 3.73662 hours remaining, 235.312500 MB of memory in use. ENERGY: 685200 3907.4753 20651.7881 14386.3478 240.0140 -203432.4256 3168.2884 0.0000 0.0000 52126.2952 -108952.2168 299.5705 -161078.5120 -108597.9488 299.2748 244.4491 275.7584 763165.8775 -6.9889 -6.9080 PRESSURE: 685400 183.692 37.8372 -106.118 37.8369 73.6517 -15.0776 -106.117 -15.0784 -122.028 GPRESSURE: 685400 141.427 -9.97871 -81.7782 -10.4227 140.689 -42.4819 -86.1571 31.6187 -54.3635 PRESSAVG: 685400 -13.5513 -26.5567 -28.38 -26.5567 70.6651 -6.17539 -28.3801 -6.17535 -1.90085 GPRESSAVG: 685400 -13.0393 -25.3606 -28.1547 -29.1848 70.7425 -8.50924 -28.7096 -3.90208 -2.36698 TIMING: 685400 CPU: 2135.66, 0.00312635/step Wall: 2135.66, 0.00312635/step, 3.74693 hours remaining, 235.312500 MB of memory in use. ENERGY: 685400 3948.1474 20705.3732 14429.6216 276.9044 -203472.4588 2858.9716 0.0000 0.0000 52127.5702 -109125.8705 299.5779 -161253.4407 -108763.8818 299.6270 45.1050 75.9174 762921.8643 18.4043 18.4454 PRESSURE: 685600 -19.8842 -103.067 -59.9469 -103.067 -361.425 79.7524 -59.9481 79.7519 -233.36 GPRESSURE: 685600 3.46908 -97.2461 -92.0441 -94.8722 -336.268 42.6942 -90.3852 -50.9567 -205.17 PRESSAVG: 685600 -38.1209 -21.0593 -37.2907 -21.0593 -13.168 32.4106 -37.2907 32.4105 -1.6347 GPRESSAVG: 685600 -37.808 -20.9413 -36.9029 -17.9632 -13.6871 36.7029 -36.741 30.1029 -2.33838 TIMING: 685600 CPU: 2136.29, 0.00313906/step Wall: 2136.29, 0.00313906/step, 3.76199 hours remaining, 235.312500 MB of memory in use. ENERGY: 685600 4023.2404 20725.7743 14429.7401 245.5151 -203097.4676 2658.1699 0.0000 0.0000 52165.3404 -108849.6875 299.7949 -161015.0278 -108479.5007 299.6941 -204.8898 -179.3228 764345.4618 -17.6412 -17.9445 PRESSURE: 685800 155.022 17.3318 -124.268 17.3312 -39.0777 15.0721 -124.268 15.0719 -96.3377 GPRESSURE: 685800 192.891 -51.8022 -123.085 -110.346 47.4892 56.105 -96.0622 -120.976 -125.202 PRESSAVG: 685800 -21.8249 41.6268 -72.2236 41.6267 2.68186 -20.1964 -72.2236 -20.1964 -0.383842 GPRESSAVG: 685800 -22.3004 39.8982 -71.121 41.2562 4.69287 -21.0135 -71.0059 -19.6047 -1.39455 TIMING: 685800 CPU: 2136.91, 0.00312208/step Wall: 2136.91, 0.00312208/step, 3.74147 hours remaining, 235.312500 MB of memory in use. ENERGY: 685800 4078.8282 20590.8702 14493.7226 249.5076 -203261.8591 2736.3821 0.0000 0.0000 52239.6855 -108872.8630 300.2222 -161112.5485 -108513.1707 299.9666 6.5355 38.3927 761912.9875 -6.5090 -6.3340 PRESSURE: 686000 -44.6531 -76.5886 98.5883 -76.5885 -476.507 171.515 98.5888 171.515 -47.1707 GPRESSURE: 686000 5.51011 -34.993 79.4965 -69.399 -443.895 114.944 -73.2 196.78 -41.859 PRESSAVG: 686000 -13.4266 16.4333 -26.9736 16.4334 38.0947 37.2195 -26.9736 37.2196 -8.59455 GPRESSAVG: 686000 -12.8606 17.8166 -28.1547 17.9821 37.0385 34.6262 -29.4807 39.044 -7.60064 TIMING: 686000 CPU: 2137.53, 0.00311605/step Wall: 2137.53, 0.00311605/step, 3.73406 hours remaining, 235.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 686000 4080.5767 20627.9229 14494.2018 244.0611 -203074.1182 2688.2705 0.0000 0.0000 51920.3003 -109018.7849 298.3867 -160939.0852 -108666.0812 299.8399 -189.4436 -160.0812 763997.8605 5.3578 5.5257 PRESSURE: 686200 145.087 101.082 -64.753 101.082 -64.5563 -51.8292 -64.7537 -51.8311 104.286 GPRESSURE: 686200 103.999 165.832 -69.9474 124.085 50.1024 -38.7292 20.8048 -30.7836 109.161 PRESSAVG: 686200 -25.2693 -35.2702 -8.79232 -35.2702 3.9568 92.4648 -8.79235 92.4647 11.1124 GPRESSAVG: 686200 -24.9838 -32.5607 -9.7061 -37.4639 4.17039 95.3296 -6.77125 88.8099 10.9371 TIMING: 686200 CPU: 2138.16, 0.00311319/step Wall: 2138.16, 0.00311319/step, 3.73047 hours remaining, 235.312500 MB of memory in use. ENERGY: 686200 3994.2302 20472.2993 14442.8565 257.2346 -202976.2183 2855.8707 0.0000 0.0000 51762.3578 -109191.3691 297.4790 -160953.7270 -108832.4984 299.3663 61.6054 87.7542 764444.8852 -3.4001 -3.2921 PRESSURE: 686400 -247.162 -143.914 107.661 -143.915 -95.9554 186.723 107.661 186.722 175.507 GPRESSURE: 686400 -138.646 -151.289 112.862 -77.6291 -80.8221 149.022 54.6608 179.91 129.698 PRESSAVG: 686400 -47.4941 -4.88671 12.8265 -4.88679 36.639 -3.87277 12.8265 -3.8728 7.69106 GPRESSAVG: 686400 -48.3946 -8.67427 13.4458 -5.19024 36.2112 -6.57376 9.54664 -3.09163 8.98497 TIMING: 686400 CPU: 2138.78, 0.0031217/step Wall: 2138.78, 0.0031217/step, 3.74049 hours remaining, 235.312500 MB of memory in use. ENERGY: 686400 3965.6200 20401.7988 14401.4331 244.2511 -202715.7129 2682.0982 0.0000 0.0000 52010.5018 -109010.0099 298.9051 -161020.5117 -108641.6251 298.6248 -55.8699 -29.9234 762984.3180 -1.0547 -1.0662 PRESSURE: 686600 242.409 -37.2964 2.72211 -37.2965 -316.868 114.937 2.72171 114.936 75.238 GPRESSURE: 686600 221.698 -0.475824 69.2936 -20.1502 -266.199 178.611 48.2962 -11.9929 149.657 PRESSAVG: 686600 25.4652 13.8021 -46.4169 13.802 -82.1378 29.4991 -46.4169 29.4992 -4.78887 GPRESSAVG: 686600 26.9002 13.9191 -45.152 16.4743 -82.1692 30.7427 -44.2546 28.5993 -5.47176 TIMING: 686600 CPU: 2139.41, 0.00313458/step Wall: 2139.41, 0.00313458/step, 3.75575 hours remaining, 235.312500 MB of memory in use. ENERGY: 686600 3967.2720 20532.3540 14376.0769 251.4263 -203129.2383 2757.4601 0.0000 0.0000 52242.4509 -109002.1981 300.2381 -161244.6490 -108640.1891 299.5435 0.2597 35.0521 762681.6746 -20.4872 -20.2469 PRESSURE: 686800 153.013 69.4263 31.9077 69.4262 248.636 -139.894 31.9081 -139.896 34.0173 GPRESSURE: 686800 154.746 54.4666 127.561 125.071 296.829 -90.544 -91.0132 -101.036 71.362 PRESSAVG: 686800 52.9959 -1.73662 -47.7353 -1.73663 22.3171 36.4012 -47.7352 36.4012 16.4411 GPRESSAVG: 686800 52.3533 -0.814562 -48.7337 -4.27075 22.5286 36.4884 -48.3994 39.4005 16.9718 TIMING: 686800 CPU: 2140.03, 0.00312647/step Wall: 2140.03, 0.00312647/step, 3.74586 hours remaining, 235.312500 MB of memory in use. ENERGY: 686800 4012.0240 20612.5073 14318.5379 234.1092 -203075.0588 2922.0651 0.0000 0.0000 52137.3485 -108838.4667 299.6341 -160975.8152 -108473.1779 300.0920 145.2220 174.3124 763475.8464 30.5847 30.6179 PRESSURE: 687000 -180.363 -20.3053 17.2776 -20.3053 -21.8173 -64.9794 17.278 -64.9783 -161.687 GPRESSURE: 687000 -132.925 26.5104 13.1912 12.1828 -32.881 -62.3616 13.8028 -68.808 -110.7 PRESSAVG: 687000 13.5493 43.6731 -37.0103 43.6732 -40.9706 15.5749 -37.0103 15.575 3.24302 GPRESSAVG: 687000 12.8427 43.0113 -36.7734 45.0222 -41.1926 15.9138 -35.2895 13.2923 3.63268 TIMING: 687000 CPU: 2140.66, 0.00312411/step Wall: 2140.66, 0.00312411/step, 3.74285 hours remaining, 235.312500 MB of memory in use. ENERGY: 687000 3992.5477 20495.4714 14428.0556 242.4099 -202903.9880 2682.4037 0.0000 0.0000 52170.5639 -108892.5357 299.8249 -161063.0997 -108526.1231 299.4103 -121.2893 -92.1685 764579.6621 -8.0594 -8.2391 PRESSURE: 687200 407.088 85.0515 -20.8393 85.0508 140.119 -208.769 -20.8386 -208.77 5.03979 GPRESSURE: 687200 472.759 194.778 -50.153 0.212768 173.545 -234.256 49.3373 -211.379 -4.66003 PRESSAVG: 687200 -46.0411 48.3182 -13.9048 48.3182 18.1589 -27.8431 -13.9048 -27.8431 -8.26318 GPRESSAVG: 687200 -45.8863 50.0721 -13.5236 46.8651 18.6503 -28.8848 -15.2171 -26.6782 -8.83385 TIMING: 687200 CPU: 2141.28, 0.00312704/step Wall: 2141.28, 0.00312704/step, 3.74619 hours remaining, 235.312500 MB of memory in use. ENERGY: 687200 3972.6990 20562.4375 14342.0541 246.0012 -203098.3953 2826.1266 0.0000 0.0000 52251.7719 -108897.3050 300.2917 -161149.0769 -108535.3491 299.4922 184.0823 213.8813 763123.8137 -12.0484 -12.0233 PRESSURE: 687400 -46.4535 173.12 6.0935 173.12 -93.9816 -319.903 6.09363 -319.903 311.83 GPRESSURE: 687400 72.0498 199.986 12.1584 194.465 -84.9405 -300.652 82.4651 -192.982 267.13 PRESSAVG: 687400 66.0113 22.8746 -39.5111 22.8746 -36.1849 -14.5606 -39.511 -14.5607 1.14825 GPRESSAVG: 687400 67.727 21.8159 -37.659 22.7707 -38.0919 -14.5718 -39.7379 -15.4968 1.33125 TIMING: 687400 CPU: 2141.91, 0.00314387/step Wall: 2141.91, 0.00314386/step, 3.76618 hours remaining, 235.312500 MB of memory in use. ENERGY: 687400 3993.8162 20428.6130 14323.1325 261.5252 -203128.3757 2894.4531 0.0000 0.0000 52326.3161 -108900.5198 300.7201 -161226.8358 -108527.3493 299.7180 57.1317 84.7465 763199.2690 10.3249 10.3221 PRESSURE: 687600 82.0187 32.4373 -216.858 32.4374 119.911 -27.5215 -216.859 -27.5214 -111.085 GPRESSURE: 687600 181.35 43.5685 -238.77 104.402 172.445 -60.8697 -277.938 -47.6236 -183.488 PRESSAVG: 687600 46.3084 -4.67687 32.067 -4.67692 -13.1041 8.10367 32.067 8.10369 -5.26445 GPRESSAVG: 687600 46.4297 -5.98827 29.2909 -2.94696 -12.2145 8.7203 35.1101 8.04934 -5.94182 TIMING: 687600 CPU: 2142.54, 0.00314404/step Wall: 2142.54, 0.00314404/step, 3.76621 hours remaining, 235.312500 MB of memory in use. ENERGY: 687600 4027.2380 20527.7493 14385.7922 228.7735 -203120.1184 2746.1381 0.0000 0.0000 52219.8587 -108984.5686 300.1082 -161204.4273 -108614.4003 299.7384 30.2815 56.7691 762076.0195 9.3133 9.4245 PRESSURE: 687800 -138.258 -20.1958 -98.7205 -20.1964 37.8871 49.5253 -98.7208 49.5248 -126.176 GPRESSURE: 687800 -127.471 -137.305 -10.4248 -142.424 84.036 135.856 -150.999 -13.5497 -81.1454 PRESSAVG: 687800 24.6324 -1.14233 -28.8005 -1.14231 -24.2909 38.9808 -28.8005 38.9808 -6.80365 GPRESSAVG: 687800 24.1004 -1.68572 -25.704 -1.11024 -23.3705 38.4184 -30.6336 41.1581 -7.33973 TIMING: 687800 CPU: 2143.17, 0.00313091/step Wall: 2143.17, 0.00313091/step, 3.7503 hours remaining, 235.312500 MB of memory in use. ENERGY: 687800 4021.7918 20529.6775 14496.5097 253.0569 -202744.3510 2536.4885 0.0000 0.0000 51946.1820 -108960.6447 298.5354 -160906.8267 -108598.8401 299.4759 -75.5156 -41.5267 763552.0573 -2.1540 -2.2033 PRESSURE: 688000 280.834 -107.12 81.3873 -107.12 -203.702 -168.76 81.3867 -168.761 125.565 GPRESSURE: 688000 355.812 -77.0419 43.5636 -218.077 -148.473 -224.72 6.1553 -67.4615 84.1858 PRESSAVG: 688000 60.3271 0.221912 -3.1476 0.221905 -44.6307 -23.5902 -3.14762 -23.5902 14.3236 GPRESSAVG: 688000 60.9325 1.76541 -5.08965 -2.47931 -45.5034 -23.1151 -2.84504 -24.2915 13.9048 TIMING: 688000 CPU: 2143.79, 0.00312856/step Wall: 2143.79, 0.00312856/step, 3.74732 hours remaining, 235.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 688000 4069.1136 20523.4633 14335.9201 246.4872 -203269.1346 2988.1151 0.0000 0.0000 52087.3735 -109018.6619 299.3469 -161106.0354 -108652.2518 299.4847 67.5654 97.1749 762971.4377 10.0067 9.7780 PRESSURE: 688200 -318.88 -11.6112 -25.6436 -11.6114 -95.8804 255.404 -25.6437 255.405 87.8631 GPRESSURE: 688200 -209.975 16.7699 -89.2904 70.1944 -102.521 277.802 -16.0421 280.805 59.3932 PRESSAVG: 688200 62.7893 34.0252 -23.6266 34.0252 -48.5764 5.97177 -23.6266 5.97178 -10.1069 GPRESSAVG: 688200 61.4636 33.5169 -22.1892 36.6323 -48.6298 6.90708 -25.9985 3.38532 -8.48228 TIMING: 688200 CPU: 2144.42, 0.00313073/step Wall: 2144.42, 0.00313072/step, 3.74974 hours remaining, 235.312500 MB of memory in use. ENERGY: 688200 4032.3818 20578.3188 14366.4653 263.8013 -203182.2671 2684.7284 0.0000 0.0000 52317.7580 -108938.8136 300.6709 -161256.5716 -108573.7249 299.5592 -108.9658 -84.3675 762571.5480 1.3687 1.4505 LDB: ============= START OF LOAD BALANCING ============== 2156.9 LDB: ============== END OF LOAD BALANCING =============== 2156.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2156.9 LDB: ============= START OF LOAD BALANCING ============== 2157.21 LDB: Largest compute 6989 load 0.028644 is 14.7% of average load 0.194953 LDB: Average compute 0.004361 is 2.2% of average load 0.194953 LDB: TIME 2157.22 LOAD: AVG 0.194953 MAX 0.215084 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.164 MB LDB: TIME 2157.22 LOAD: AVG 0.194953 MAX 0.215084 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.164 MB LDB: TIME 2157.22 LOAD: AVG 0.194953 MAX 0.215084 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.164 MB LDB: ============== END OF LOAD BALANCING =============== 2157.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2157.22 PRESSURE: 688400 -116.987 -139.026 -19.4068 -139.026 -158.548 35.0526 -19.4068 35.0526 -94.1159 GPRESSURE: 688400 -165.901 -69.8402 12.9722 -141.025 -109.148 64.9509 86.4536 -57.3426 -10.9055 PRESSAVG: 688400 25.2982 13.1788 -13.1412 13.1788 7.93212 23.1047 -13.1413 23.1047 8.82512 GPRESSAVG: 688400 25.339 13.1126 -12.8105 13.2006 7.39961 22.2953 -9.76222 25.7286 9.62672 TIMING: 688400 CPU: 2145.06, 0.00320077/step Wall: 2145.06, 0.00320077/step, 3.83346 hours remaining, 233.652344 MB of memory in use. ENERGY: 688400 4011.8765 20518.9102 14347.3326 264.6138 -202897.0486 2722.9598 0.0000 0.0000 52155.6510 -108875.7046 299.7392 -161031.3556 -108511.9297 299.7257 -123.2168 -95.3180 762383.2512 14.0185 14.1218 PRESSURE: 688600 340.352 -7.17833 -105.013 -7.17825 102.205 -32.9678 -105.013 -32.9679 -373.198 GPRESSURE: 688600 437.395 74.4582 -96.3062 -68.1746 154.322 -53.2793 -132.307 -18.3346 -427.558 PRESSAVG: 688600 -16.2115 -5.77837 67.4162 -5.77838 -1.12931 13.289 67.4162 13.289 -14.5094 GPRESSAVG: 688600 -15.4318 -6.1176 67.5994 -4.80623 -0.468735 13.245 64.4668 12.3218 -15.8325 TIMING: 688600 CPU: 2145.69, 0.00314851/step Wall: 2145.69, 0.00314852/step, 3.7707 hours remaining, 233.652344 MB of memory in use. ENERGY: 688600 3992.1964 20624.9574 14306.8794 245.1887 -203117.0759 2775.2384 0.0000 0.0000 52238.0279 -108934.5876 300.2127 -161172.6155 -108571.3764 299.2992 23.1196 54.7198 764615.2914 -10.6168 -10.5776 PRESSURE: 688800 -267.702 -34.3932 -14.3917 -34.3933 48.2891 122.419 -14.391 122.42 175.483 GPRESSURE: 688800 -270 -16.9666 67.4986 -86.7337 95.0949 64.8484 -168.703 50.5762 243.22 PRESSAVG: 688800 3.02377 -20.2765 -20.6635 -20.2765 17.8967 5.88536 -20.6635 5.88542 -20.3437 GPRESSAVG: 688800 2.75966 -18.7884 -22.4308 -21.6472 17.8967 5.12345 -19.783 6.59621 -20.1189 TIMING: 688800 CPU: 2146.32, 0.00314033/step Wall: 2146.32, 0.00314033/step, 3.76072 hours remaining, 233.652344 MB of memory in use. ENERGY: 688800 3941.0488 20502.5698 14370.9213 252.5019 -202956.4146 2709.5269 0.0000 0.0000 52136.9084 -109042.9375 299.6315 -161179.8459 -108672.7871 299.0900 -14.6433 22.7717 763394.7638 0.1923 0.1791 PRESSURE: 689000 159.2 -92.854 -110.692 -92.853 309.231 123.893 -110.693 123.893 157.082 GPRESSURE: 689000 246.319 -66.4665 -107.318 -98.7408 317.954 163.356 -28.2065 9.79492 155.673 PRESSAVG: 689000 8.09441 -25.8396 14.3425 -25.8396 -6.85696 -53.0262 14.3426 -53.0263 35.5445 GPRESSAVG: 689000 7.72666 -27.4278 15.7253 -23.9075 -5.97386 -51.0206 13.6706 -54.704 35.3672 TIMING: 689000 CPU: 2146.94, 0.0031293/step Wall: 2146.94, 0.0031293/step, 3.74733 hours remaining, 233.652344 MB of memory in use. ENERGY: 689000 4017.0242 20825.1500 14399.9598 230.2240 -202913.6175 2691.0521 0.0000 0.0000 51890.3563 -108859.8512 298.2146 -160750.2074 -108501.2910 299.2286 208.5041 239.9823 764065.8230 12.2607 12.3733 PRESSURE: 689200 6.86466 -67.46 -19.4185 -67.4593 -290.542 35.9828 -19.4182 35.9832 -97.7133 GPRESSURE: 689200 147.518 -25.1076 132.67 -46.3692 -321.934 69.269 -37.2322 114.965 -130.491 PRESSAVG: 689200 53.7786 30.6283 -15.3788 30.6284 -46.6416 4.35867 -15.3788 4.35869 -34.2275 GPRESSAVG: 689200 54.6023 34.072 -15.1748 27.8492 -48.1037 4.00504 -13.3602 3.51869 -33.2347 TIMING: 689200 CPU: 2147.57, 0.00313787/step Wall: 2147.57, 0.00313787/step, 3.75743 hours remaining, 233.652344 MB of memory in use. ENERGY: 689200 3939.3434 20627.3683 14501.7728 249.4260 -203090.7573 2753.0105 0.0000 0.0000 52369.5019 -108650.3343 300.9682 -161019.8362 -108287.4597 299.6656 -127.1303 -101.6357 764647.3249 -9.0302 -8.9121 PRESSURE: 689400 -273.862 -138.446 -99.1993 -138.447 -90.7144 -5.0624 -99.1992 -5.06304 -345.756 GPRESSURE: 689400 -152.792 -142.451 -48.7614 -108.019 -123.991 62.8996 -66.0046 -74.1258 -332.107 PRESSAVG: 689400 56.5103 9.32956 47.2968 9.32953 -49.5579 13.1203 47.2968 13.1203 3.5449 GPRESSAVG: 689400 56.8061 7.93182 47.1294 9.84896 -48.8649 13.377 46.4038 12.3471 2.70444 TIMING: 689400 CPU: 2148.2, 0.00313552/step Wall: 2148.2, 0.00313552/step, 3.75444 hours remaining, 233.652344 MB of memory in use. ENERGY: 689400 4039.8148 20709.6584 14386.8870 270.0987 -203297.5745 2716.3109 0.0000 0.0000 52178.5237 -108996.2810 299.8707 -161174.8047 -108623.3757 299.6642 -236.7775 -202.9636 763066.7520 3.4991 3.5486 PRESSURE: 689600 47.6107 12.1395 163.508 12.1401 -205.53 -61.7868 163.509 -61.7867 -213.699 GPRESSURE: 689600 143.827 -11.7967 116.183 -35.8091 -239.475 -169.411 35.9212 39.8597 -209.229 PRESSAVG: 689600 72.5117 -29.2685 8.54963 -29.2685 -39.9825 72.0747 8.54963 72.0747 19.365 GPRESSAVG: 689600 72.9575 -28.9522 5.83502 -27.8011 -40.6846 70.9114 9.75472 75.4787 19.0506 TIMING: 689600 CPU: 2148.82, 0.00311973/step Wall: 2148.82, 0.00311973/step, 3.73536 hours remaining, 233.652344 MB of memory in use. ENERGY: 689600 4065.1947 20723.9922 14364.4377 231.9489 -203142.4074 2846.4142 0.0000 0.0000 51892.9737 -109017.4460 298.2296 -160910.4197 -108659.6730 299.0857 -123.8726 -101.6256 764664.7395 17.2981 17.1078 PRESSURE: 689800 21.3728 228.899 177.028 228.9 -209.269 178.978 177.029 178.977 -202.333 GPRESSURE: 689800 16.5941 45.2369 197.7 267.103 -140.733 176.093 189.226 205.295 -202.337 PRESSAVG: 689800 26.5157 22.3283 -11.7179 22.3284 -39.3459 44.5399 -11.718 44.5399 5.31262 GPRESSAVG: 689800 26.2208 21.5189 -10.8685 20.6584 -39.5634 44.606 -12.7754 43.0058 6.04262 TIMING: 689800 CPU: 2149.44, 0.00311824/step Wall: 2149.44, 0.00311824/step, 3.7334 hours remaining, 233.652344 MB of memory in use. ENERGY: 689800 4052.6914 20622.8222 14364.6946 242.6143 -203282.0712 2805.9366 0.0000 0.0000 52271.9672 -108921.3448 300.4077 -161193.3120 -108563.7690 299.7622 -130.0765 -108.8253 761977.5538 -2.5058 -2.4333 PRESSURE: 690000 247.267 -121.824 -147.808 -121.826 137.656 -26.7426 -147.808 -26.7423 85.9973 GPRESSURE: 690000 322.056 106.543 -136.706 -12.5343 194.293 -72.419 21.758 55.0385 38.0543 PRESSAVG: 690000 51.248 -50.133 34.3247 -50.133 -24.284 -5.16367 34.3247 -5.16377 -23.7775 GPRESSAVG: 690000 50.3872 -49.059 37.6872 -50.2421 -22.5874 -6.44817 34.0697 -1.53566 -24.3573 TIMING: 690000 CPU: 2150.07, 0.00310963/step Wall: 2150.07, 0.00310963/step, 3.72292 hours remaining, 233.652344 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: 690000 4013.9008 20478.9363 14410.9203 243.1960 -203513.0770 2964.1064 0.0000 0.0000 52253.0053 -109149.0119 300.2987 -161402.0172 -108795.1701 299.3211 156.9732 184.8012 761880.4495 1.0622 1.1475 PRESSURE: 690200 213.592 106.809 -98.6316 106.809 -113.717 42.1107 -98.6315 42.1103 176.504 GPRESSURE: 690200 186.546 56.7953 -71.9283 66.9486 -33.7895 87.9241 -161.924 64.1182 209.203 PRESSAVG: 690200 37.0527 -5.25675 26.9303 -5.25675 -65.2959 -15.4094 26.9303 -15.4093 0.656242 GPRESSAVG: 690200 37.5372 -5.13302 25.8941 -5.27021 -66.186 -14.5999 25.8893 -16.4768 0.524183 TIMING: 690200 CPU: 2150.69, 0.00311191/step Wall: 2150.69, 0.00311191/step, 3.72548 hours remaining, 233.652344 MB of memory in use. ENERGY: 690200 4022.9953 20568.1785 14396.9381 227.9695 -203376.6876 2970.4957 0.0000 0.0000 51883.2238 -109306.8866 298.1736 -161190.1104 -108946.5488 298.9025 92.1263 120.6533 763253.4053 -9.1957 -9.3749 PRESSURE: 690400 -75.3566 -144.677 -201.231 -144.676 264.18 -170.983 -201.231 -170.982 329.975 GPRESSURE: 690400 39.6272 -114.141 -235.707 -186.95 208.632 -294.783 -217.093 -59.0084 343.73 PRESSAVG: 690400 60.0837 -13.8882 -39.4663 -13.8881 -67.4749 -16.4107 -39.4663 -16.4106 -3.51775 GPRESSAVG: 690400 60.3699 -15.4605 -42.2938 -13.3939 -68.2091 -15.638 -36.7026 -18.1318 -3.08222 TIMING: 690400 CPU: 2151.31, 0.00310579/step Wall: 2151.31, 0.00310579/step, 3.71798 hours remaining, 233.652344 MB of memory in use. ENERGY: 690400 4005.2860 20450.8036 14416.3587 242.7002 -203312.7188 2876.3726 0.0000 0.0000 52207.7332 -109113.4647 300.0386 -161321.1979 -108749.5093 299.2335 172.9327 197.3295 761601.4843 -3.6363 -3.6405 PRESSURE: 690600 93.0696 -48.7724 64.3827 -48.772 106.663 50.2438 64.3821 50.2432 9.08281 GPRESSURE: 690600 159.421 46.8042 -0.644798 -48.3475 198.693 75.063 225.506 86.231 -59.0564 PRESSAVG: 690600 30.084 0.868703 -48.1686 0.868658 10.0163 22.898 -48.1686 22.898 -17.0771 GPRESSAVG: 690600 29.2796 1.79176 -46.6186 1.64314 10.1568 21.4871 -50.1242 24.259 -16.5862 TIMING: 690600 CPU: 2151.93, 0.00309699/step Wall: 2151.93, 0.00309699/step, 3.70727 hours remaining, 233.652344 MB of memory in use. ENERGY: 690600 3991.7702 20606.2958 14431.6429 245.9972 -203180.4406 2789.0028 0.0000 0.0000 51937.3137 -109178.4180 298.4845 -161115.7316 -108820.5225 298.9436 69.6051 99.6860 762669.3914 7.6744 7.6167 PRESSURE: 690800 147.622 -13.1065 7.53667 -13.1063 -182.044 106.281 7.53784 106.281 -184.118 GPRESSURE: 690800 87.8596 16.243 -13.6057 17.5786 -84.3733 90.2735 45.2366 -12.9606 -131.917 PRESSAVG: 690800 2.74469 12.9096 -44.3992 12.9096 -23.0254 20.3357 -44.3993 20.3358 -1.78546 GPRESSAVG: 690800 3.40158 12.4836 -43.7874 13.4917 -23.3773 20.4336 -44.5484 17.1795 -1.57039 TIMING: 690800 CPU: 2152.55, 0.00309284/step Wall: 2152.55, 0.00309284/step, 3.70213 hours remaining, 233.652344 MB of memory in use. ENERGY: 690800 4104.1037 20579.4668 14402.5159 237.4510 -202949.5981 2536.8975 0.0000 0.0000 52019.1693 -109069.9940 298.9549 -161089.1632 -108713.6870 298.8174 -72.8464 -42.8101 761342.9553 -7.3554 -7.1820 PRESSURE: 691000 -227.688 50.6954 9.48784 50.6957 48.4191 155.318 9.48705 155.318 -88.8834 GPRESSURE: 691000 -172.193 61.8021 4.54611 64.9761 15.5627 131.028 -123.69 14.273 -17.7384 PRESSAVG: 691000 50.1625 35.6564 26.1962 35.6563 -41.6488 -15.5189 26.1962 -15.5189 -22.4404 GPRESSAVG: 691000 50.1119 35.9595 24.2892 32.053 -41.0525 -15.0265 28.6979 -13.7345 -23.0592 TIMING: 691000 CPU: 2153.17, 0.00309356/step Wall: 2153.17, 0.00309356/step, 3.70281 hours remaining, 233.652344 MB of memory in use. ENERGY: 691000 4071.9030 20750.5051 14400.4044 250.0779 -203209.4266 2495.7381 0.0000 0.0000 52231.5553 -109009.2429 300.1755 -161240.7982 -108659.2347 299.2146 -89.3842 -58.1229 762698.4437 -4.6422 -4.6666 PRESSURE: 691200 -43.5832 -211.817 -140.279 -211.818 -169.217 -113.736 -140.279 -113.736 -22.8028 GPRESSURE: 691200 15.0118 -155.248 -128.961 -194.138 -114.764 -54.2032 -35.2652 -51.1364 -68.0713 PRESSAVG: 691200 -2.31691 -5.66326 -43.4391 -5.6633 -16.1949 5.13121 -43.4391 5.13116 20.7252 GPRESSAVG: 691200 -1.68544 -5.73322 -43.0585 -2.80932 -16.0348 5.90044 -42.7174 4.38028 20.1768 TIMING: 691200 CPU: 2153.79, 0.00310849/step Wall: 2153.79, 0.00310849/step, 3.72052 hours remaining, 233.652344 MB of memory in use. ENERGY: 691200 3972.6651 20603.1233 14377.8508 223.6497 -203364.0164 2936.5903 0.0000 0.0000 52010.0238 -109240.1134 298.9023 -161250.1372 -108874.4315 299.2186 -78.5345 -55.9413 762885.2380 0.7378 0.8189 PRESSURE: 691400 475.47 33.1182 121.657 33.1182 299.688 138.527 121.657 138.526 186.257 GPRESSURE: 691400 471.174 -7.20892 115.293 49.7693 297.386 135.411 183.078 107.094 274.326 PRESSAVG: 691400 15.0765 23.5462 31.9487 23.5462 4.69881 -0.303133 31.9487 -0.303161 16.177 GPRESSAVG: 691400 14.2347 23.674 32.6285 22.9202 4.17952 -3.45344 28.5587 -0.0555811 17.4421 TIMING: 691400 CPU: 2154.41, 0.00312256/step Wall: 2154.41, 0.00312256/step, 3.73719 hours remaining, 233.652344 MB of memory in use. ENERGY: 691400 3970.8436 20398.2438 14386.8967 257.6171 -203489.3384 3212.3696 0.0000 0.0000 51984.6868 -109278.6808 298.7567 -161263.3675 -108912.4102 298.4189 320.4716 347.6288 761327.6030 11.9841 11.9521 PRESSURE: 691600 -180.617 -216.303 176.66 -216.303 98.9612 78.404 176.659 78.4036 36.7522 GPRESSURE: 691600 -55.6813 -159.172 115.648 -144.308 96.584 50.7831 119.498 132.771 3.72514 PRESSAVG: 691600 -17.787 -18.9763 30.0411 -18.9763 16.0874 1.19578 30.0412 1.19578 13.8934 GPRESSAVG: 691600 -17.1534 -20.2467 29.9748 -18.3359 17.5268 4.21978 30.3594 0.219876 12.0325 TIMING: 691600 CPU: 2155.04, 0.00311537/step Wall: 2155.04, 0.00311537/step, 3.72841 hours remaining, 233.652344 MB of memory in use. ENERGY: 691600 3936.9612 20308.1162 14415.0587 250.5008 -203117.5585 2724.5421 0.0000 0.0000 52144.0338 -109338.3457 299.6725 -161482.3795 -108964.7382 298.4645 -14.9678 14.8759 763281.1395 4.0646 4.1353 PRESSURE: 691800 203.987 -96.0493 -168.887 -96.0494 418.493 -75.0153 -168.888 -75.0159 503.106 GPRESSURE: 691800 329.633 -92.5226 -108.885 -75.5978 423.799 -115.716 -173.549 -152.352 456.386 PRESSAVG: 691800 30.3889 -12.1814 17.039 -12.1814 -68.766 -7.04815 17.039 -7.04816 -24.4917 GPRESSAVG: 691800 28.7801 -9.95258 18.3485 -12.3561 -69.6193 -8.0504 16.4148 -5.44337 -22.7038 TIMING: 691800 CPU: 2155.66, 0.00309626/step Wall: 2155.66, 0.00309626/step, 3.70536 hours remaining, 233.652344 MB of memory in use. ENERGY: 691800 3963.6984 20396.3400 14346.6176 256.1703 -203211.9112 2928.1822 0.0000 0.0000 51958.8348 -109362.0680 298.6081 -161320.9028 -109003.3735 298.0887 375.1954 403.2724 762906.0804 -20.9562 -21.1810 PRESSURE: 692000 352.388 -233.549 -156.429 -233.548 20.8847 -36.944 -156.43 -36.9433 -103.954 GPRESSURE: 692000 460.712 -145.783 -137.161 -243.603 76.0754 62.7634 -25.9064 4.36526 -188.729 PRESSAVG: 692000 41.9077 7.42476 -61.1669 7.42475 -42.1978 -13.5581 -61.1668 -13.5581 1.785 GPRESSAVG: 692000 42.8999 6.98639 -61.4891 6.77442 -41.9905 -12.5708 -58.054 -14.9578 0.949808 TIMING: 692000 CPU: 2156.28, 0.00310638/step Wall: 2156.28, 0.00310638/step, 3.7173 hours remaining, 233.652344 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: 692000 3911.2110 20553.0718 14345.9070 251.2019 -203118.5856 2927.6561 0.0000 0.0000 51732.9190 -109396.6188 297.3098 -161129.5378 -109041.6600 298.0562 89.7727 116.0196 763423.9672 0.4983 0.6197 PRESSURE: 692200 -36.0845 93.867 -126.417 93.8667 172.203 103.673 -126.418 103.672 43.5949 GPRESSURE: 692200 -17.6933 68.7906 -162.426 21.5807 149.527 39.9086 -132.842 127.63 126.501 PRESSAVG: 692200 4.83066 -2.21 52.6859 -2.20998 24.8499 39.6114 52.6858 39.6114 -1.32187 GPRESSAVG: 692200 5.56014 -3.85655 52.9543 -0.465258 24.3218 39.4095 51.0205 39.5199 -2.06701 TIMING: 692200 CPU: 2156.89, 0.00309115/step Wall: 2156.89, 0.00309115/step, 3.6989 hours remaining, 233.652344 MB of memory in use. ENERGY: 692200 3967.3329 20433.0425 14337.0690 276.3269 -203115.7006 2871.4493 0.0000 0.0000 51862.8800 -109367.6000 298.0567 -161230.4800 -109005.4794 298.5670 59.9043 86.1117 763041.6037 9.4529 9.2716 LDB: ============= START OF LOAD BALANCING ============== 2169.37 LDB: ============== END OF LOAD BALANCING =============== 2169.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2169.37 LDB: ============= START OF LOAD BALANCING ============== 2169.68 LDB: Largest compute 6985 load 0.028543 is 14.6% of average load 0.195011 LDB: Average compute 0.004371 is 2.2% of average load 0.195011 LDB: TIME 2169.69 LOAD: AVG 0.195011 MAX 0.216136 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.965 MB LDB: TIME 2169.69 LOAD: AVG 0.195011 MAX 0.216136 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.008 MB LDB: TIME 2169.69 LOAD: AVG 0.195011 MAX 0.216136 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.008 MB LDB: ============== END OF LOAD BALANCING =============== 2169.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2169.69 PRESSURE: 692400 -9.75067 -191.081 -168.152 -191.081 406.309 15.8691 -168.153 15.8695 -286.635 GPRESSURE: 692400 -31.0886 -329.289 -67.0674 -139.507 423.749 -59.8471 -159.933 -72.1902 -204.248 PRESSAVG: 692400 -23.1739 -7.1386 2.98751 -7.13858 10.241 2.5218 2.98751 2.52175 0.244468 GPRESSAVG: 692400 -25.7528 -7.37416 3.18097 -5.53055 11.4321 1.00284 1.28186 4.73086 1.31531 TIMING: 692400 CPU: 2157.53, 0.00316091/step Wall: 2157.53, 0.00316091/step, 3.7822 hours remaining, 235.023438 MB of memory in use. ENERGY: 692400 3955.7315 20537.7983 14338.9212 244.3172 -203571.7541 3020.7811 0.0000 0.0000 52091.1676 -109383.0372 299.3687 -161474.2048 -109028.8303 298.9136 36.6412 62.8043 763071.3885 -4.2295 -4.3351 PRESSURE: 692600 -60.533 50.5909 171.092 50.5917 262.042 101.594 171.092 101.592 -88.611 GPRESSURE: 692600 73.9206 -4.50089 165.055 163.393 188.216 100.931 268.489 23.5071 -61.4844 PRESSAVG: 692600 27.898 -3.76246 -36.6808 -3.76248 26.7644 -41.2026 -36.6808 -41.2026 2.64026 GPRESSAVG: 692600 29.0819 -2.63172 -39.5059 -4.69876 26.724 -41.2914 -34.5448 -42.2207 1.39642 TIMING: 692600 CPU: 2158.15, 0.00309885/step Wall: 2158.15, 0.00309885/step, 3.70777 hours remaining, 235.281250 MB of memory in use. ENERGY: 692600 3962.1106 20506.2107 14380.0277 256.7328 -203138.1687 2853.7574 0.0000 0.0000 51890.6345 -109288.6949 298.2162 -161179.3294 -108922.1240 298.7056 37.6325 66.8842 764865.0998 19.1009 19.0674 PRESSURE: 692800 -1.3089 -150.658 167.122 -150.657 -158.134 -165.383 167.122 -165.383 -145.047 GPRESSURE: 692800 60.7903 -50.5426 122.754 -196.487 -108.646 -80.9686 183.114 -65.3461 -171.827 PRESSAVG: 692800 6.4882 -7.79144 -16.1698 -7.79139 -8.8526 27.4746 -16.1698 27.4745 -3.76043 GPRESSAVG: 692800 7.17087 -9.03144 -15.9696 -8.78766 -9.25404 27.8865 -17.824 26.5076 -3.7026 TIMING: 692800 CPU: 2158.77, 0.00310223/step Wall: 2158.77, 0.00310223/step, 3.71165 hours remaining, 235.281250 MB of memory in use. ENERGY: 692800 4014.2923 20364.6962 14351.3086 262.4777 -203202.9326 2777.7476 0.0000 0.0000 52315.9679 -109116.4422 300.6606 -161432.4101 -108762.7266 298.8465 -101.4967 -73.2276 764009.1279 -2.0416 -1.9286 PRESSURE: 693000 -139.768 267.98 -95.598 267.98 -110.39 196.398 -95.5982 196.4 -131.136 GPRESSURE: 693000 -180.212 354.61 -93.5817 147.004 -21.6329 117.855 111.555 238.05 -101.088 PRESSAVG: 693000 47.489 -15.3267 42.5954 -15.3266 -29.4307 -8.29017 42.5955 -8.29016 -6.23017 GPRESSAVG: 693000 47.3709 -13.3117 45.8426 -17.8553 -29.1984 -6.6881 44.3619 -9.09156 -6.10144 TIMING: 693000 CPU: 2159.39, 0.00309593/step Wall: 2159.39, 0.00309593/step, 3.70394 hours remaining, 235.281250 MB of memory in use. ENERGY: 693000 3895.8049 20785.9460 14353.5864 250.0039 -202897.9416 2842.3750 0.0000 0.0000 51760.5204 -109009.7050 297.4684 -160770.2254 -108659.6216 299.3525 -127.0981 -100.9778 766231.2756 3.9427 4.0237 PRESSURE: 693200 26.1139 -92.2325 209.446 -92.2314 188.616 94.7082 209.446 94.7074 -241.077 GPRESSURE: 693200 -0.838541 -139.166 142.015 -91.697 248.404 -1.29577 86.8801 127.451 -213.546 PRESSAVG: 693200 6.10881 -10.46 41.7213 -10.46 -3.65689 61.1743 41.7213 61.1742 -10.9091 GPRESSAVG: 693200 5.49179 -13.1258 38.8607 -5.95083 -4.4502 59.1185 41.7471 63.7791 -9.77095 TIMING: 693200 CPU: 2160, 0.0030854/step Wall: 2160, 0.0030854/step, 3.69117 hours remaining, 235.281250 MB of memory in use. ENERGY: 693200 3961.1269 20518.9564 14370.2666 235.3729 -203291.1180 3053.9357 0.0000 0.0000 52097.3169 -109054.1427 299.4040 -161151.4595 -108697.7776 298.8867 -8.7824 11.3397 762856.7136 -2.8190 -2.9098 PRESSURE: 693400 -141.663 112.845 -39.8322 112.844 -32.2299 -174.355 -39.8313 -174.356 430.881 GPRESSURE: 693400 10.7627 175.269 16.1696 160.316 -22.8127 -75.3961 -80.2745 -215.244 357.426 PRESSAVG: 693400 14.0188 19.0779 20.3398 19.0779 9.33735 -18.094 20.3398 -18.094 16.5703 GPRESSAVG: 693400 14.6625 21.7265 20.5527 16.1763 9.64302 -16.9782 19.6381 -17.8774 15.0534 TIMING: 693400 CPU: 2160.63, 0.00311555/step Wall: 2160.63, 0.00311555/step, 3.72706 hours remaining, 235.281250 MB of memory in use. ENERGY: 693400 3963.6572 20472.7489 14426.3542 260.9574 -203444.3997 3144.7489 0.0000 0.0000 52031.9005 -109144.0327 299.0280 -161175.9331 -108782.0850 298.5726 85.6628 115.1253 763134.7124 13.3088 13.1196 PRESSURE: 693600 113.801 151.124 6.70491 151.124 113.621 60.4478 6.70397 60.4488 64.9284 GPRESSURE: 693600 157.005 105.774 7.88371 160.982 194.795 68.2828 46.0599 -21.1345 21.9927 PRESSAVG: 693600 10.5011 28.3654 -2.80663 28.3654 -12.831 9.80989 -2.80654 9.80999 7.12271 GPRESSAVG: 693600 9.85969 26.4175 -1.10346 29.2058 -13.619 8.46047 -4.31757 10.8304 8.24796 TIMING: 693600 CPU: 2161.25, 0.00310679/step Wall: 2161.25, 0.00310679/step, 3.71641 hours remaining, 235.281250 MB of memory in use. ENERGY: 693600 4000.0439 20546.8895 14333.9589 258.2844 -203112.8161 2971.2575 0.0000 0.0000 51920.7986 -109081.5834 298.3895 -161002.3820 -108724.6114 299.0300 97.4499 124.5976 764944.3071 1.5976 1.4962 PRESSURE: 693800 -77.0577 -602.313 218.266 -602.312 -149.86 -115.017 218.266 -115.017 -53.1798 GPRESSURE: 693800 -93.0637 -317.382 249.575 -481.563 -47.5577 -95.0415 230.821 -188.938 -52.7145 PRESSAVG: 693800 -17.2146 19.5081 -8.97293 19.5081 -7.07369 -18.6532 -8.97291 -18.6533 11.7265 GPRESSAVG: 693800 -16.3681 19.9654 -11.0225 20.3833 -5.47536 -17.8645 -7.34206 -20.4929 10.0532 TIMING: 693800 CPU: 2161.87, 0.0031056/step Wall: 2161.87, 0.0031056/step, 3.71481 hours remaining, 235.281250 MB of memory in use. ENERGY: 693800 4030.5990 20342.2540 14368.3365 249.5056 -203260.3929 2863.1496 0.0000 0.0000 52176.4192 -109230.1290 299.8586 -161406.5482 -108864.2812 298.7730 -93.3658 -64.4453 763972.6609 -4.1873 -3.9301 PRESSURE: 694000 231.614 170.242 -67.952 170.243 87.4404 -352.196 -67.9521 -352.197 49.9651 GPRESSURE: 694000 240.456 126.788 29.6599 139.497 147.872 -392.367 -192.368 -335.294 61.6176 PRESSAVG: 694000 62.2047 31.7698 -23.6677 31.7698 -48.2643 -71.2611 -23.6677 -71.2611 4.74393 GPRESSAVG: 694000 62.6336 31.3125 -24.222 30.8445 -49.0029 -71.9992 -24.7339 -70.2673 5.19274 TIMING: 694000 CPU: 2162.49, 0.00309741/step Wall: 2162.49, 0.00309741/step, 3.70485 hours remaining, 235.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 694000 4007.5273 20336.6747 14335.1094 248.1984 -202995.2502 3008.1744 0.0000 0.0000 51732.8340 -109326.7320 297.3093 -161059.5659 -108961.1923 298.5854 123.0066 149.9819 764787.1599 6.2281 6.2745 PRESSURE: 694200 -169.956 -26.4043 31.1235 -26.4047 -225.527 -90.0092 31.1235 -90.0079 -58.7115 GPRESSURE: 694200 -181.943 33.7713 56.2621 -196.79 -189.94 -15.9459 -63.9362 -151.833 -7.45612 PRESSAVG: 694200 74.9031 50.6382 21.1549 50.6383 -49.7352 -27.3335 21.1549 -27.3337 1.60808 GPRESSAVG: 694200 72.9684 50.614 21.6532 50.658 -48.731 -27.2183 22.3979 -28.1232 2.47208 TIMING: 694200 CPU: 2163.11, 0.00311179/step Wall: 2163.11, 0.00311179/step, 3.72187 hours remaining, 235.281250 MB of memory in use. ENERGY: 694200 3980.2751 20643.7713 14339.2793 244.4955 -202640.7318 2477.1052 0.0000 0.0000 51812.7117 -109143.0937 297.7684 -160955.8054 -108783.6995 298.2453 -151.3983 -126.4463 764804.3854 8.9253 8.9031 PRESSURE: 694400 111.794 181.253 -289.416 181.254 192.667 215.763 -289.416 215.764 -109.39 GPRESSURE: 694400 86.5906 82.5965 -288.102 122.288 213.2 227.445 -156.252 150.65 -15.966 PRESSAVG: 694400 11.8824 4.82018 2.30859 4.82016 -2.69717 27.8799 2.30862 27.8799 -0.679116 GPRESSAVG: 694400 12.9199 3.23508 4.44555 4.96886 -3.84015 27.6198 1.41348 27.8135 -0.860466 TIMING: 694400 CPU: 2163.73, 0.00310692/step Wall: 2163.73, 0.00310692/step, 3.71587 hours remaining, 235.281250 MB of memory in use. ENERGY: 694400 4038.2518 20475.6714 14420.8225 261.0494 -202926.2836 2771.3612 0.0000 0.0000 51825.7700 -109133.3573 297.8434 -160959.1273 -108775.5255 298.7385 65.0238 94.6082 763924.6865 2.8354 2.7397 PRESSURE: 694600 74.6928 -51.0282 -42.5824 -51.0285 381.969 131.099 -42.5828 131.099 -246.293 GPRESSURE: 694600 101.878 -27.9174 -160.024 -57.1576 416.298 84.8617 111.133 144.12 -222.324 PRESSAVG: 694600 -14.8202 26.1766 33.6826 26.1765 9.05306 -0.346421 33.6826 -0.346422 13.8065 GPRESSAVG: 694600 -14.7067 27.7153 32.027 24.5232 9.33088 -0.579852 33.7614 0.446725 13.9334 TIMING: 694600 CPU: 2164.35, 0.00310147/step Wall: 2164.35, 0.00310147/step, 3.70919 hours remaining, 235.281250 MB of memory in use. ENERGY: 694600 3950.8588 20638.2235 14377.2135 253.8798 -203424.6963 3286.4612 0.0000 0.0000 51693.9733 -109224.0862 297.0860 -160918.0595 -108868.6357 298.5388 70.1228 98.6173 764722.7340 2.6798 2.8525 PRESSURE: 694800 -188.364 -28.5935 196.343 -28.5929 32.3589 -30.296 196.343 -30.2964 73.9187 GPRESSURE: 694800 -97.9838 -39.2449 81.2332 -60.7207 81.3453 21.7917 185.938 1.66741 6.15997 PRESSAVG: 694800 -8.70347 8.92576 2.02821 8.92576 54.6799 -15.5089 2.02816 -15.5089 4.68677 GPRESSAVG: 694800 -8.93497 9.16491 2.24409 11.8421 55.4881 -15.1754 0.883309 -13.93 5.36516 TIMING: 694800 CPU: 2164.97, 0.00310631/step Wall: 2164.97, 0.00310631/step, 3.7148 hours remaining, 235.281250 MB of memory in use. ENERGY: 694800 3951.9979 20404.1641 14427.5752 249.0621 -202932.9274 2867.8564 0.0000 0.0000 51952.2422 -109080.0295 298.5703 -161032.2718 -108710.1527 298.8682 -27.3620 -3.4929 765320.1488 16.8877 17.3061 PRESSURE: 695000 -20.4561 48.8624 67.0319 48.8635 8.65268 136.609 67.0323 136.61 104.53 GPRESSURE: 695000 0.281581 95.6059 122.919 9.20393 28.4787 73.7913 44.4737 141.026 149.07 PRESSAVG: 695000 -7.46398 10.9952 -13.6125 10.9952 -21.0439 -20.7464 -13.6125 -20.7464 -13.5032 GPRESSAVG: 695000 -5.53381 12.0949 -12.3964 11.6658 -21.996 -20.9044 -12.9977 -22.9309 -14.6751 TIMING: 695000 CPU: 2165.6, 0.00311047/step Wall: 2165.6, 0.00311047/step, 3.7196 hours remaining, 235.281250 MB of memory in use. ENERGY: 695000 3960.1828 20475.7584 14382.8786 240.2833 -202783.8577 2686.7549 0.0000 0.0000 51850.9571 -109187.0426 297.9882 -161037.9997 -108821.1999 298.7757 30.9089 59.2768 764366.0124 -14.0037 -14.0683 PRESSURE: 695200 32.9383 105.925 46.1183 105.924 -49.4186 51.333 46.1177 51.332 -149.626 GPRESSURE: 695200 57.7071 73.4149 91.1142 23.8682 -38.1246 58.9796 68.4587 51.777 -116.803 PRESSAVG: 695200 -17.1097 19.2182 -31.8814 19.2182 -16.3939 74.8561 -31.8813 74.8561 5.13609 GPRESSAVG: 695200 -18.3066 16.1749 -32.9886 18.6217 -15.7453 75.7353 -32.1338 75.6874 5.18231 TIMING: 695200 CPU: 2166.22, 0.00310321/step Wall: 2166.22, 0.00310321/step, 3.71075 hours remaining, 235.281250 MB of memory in use. ENERGY: 695200 4072.5511 20493.0742 14361.8881 230.2289 -203236.6821 2929.0101 0.0000 0.0000 52024.4476 -109125.4820 298.9852 -161149.9296 -108777.7128 298.2884 -55.3689 -32.4068 763566.0413 -9.4558 -9.6232 PRESSURE: 695400 86.1015 -8.1564 210.908 -8.15721 -285.66 -140.527 210.908 -140.526 -140.811 GPRESSURE: 695400 120.368 -27.2712 309.126 26.7918 -221.256 -108.911 86.3895 -208.342 -151.884 PRESSAVG: 695400 20.0288 -38.9733 24.1224 -38.9733 -13.1989 15.7643 24.1224 15.7643 0.213508 GPRESSAVG: 695400 20.4018 -36.4779 24.755 -40.2112 -13.1695 16.6222 23.2115 14.2987 0.164966 TIMING: 695400 CPU: 2166.84, 0.0031152/step Wall: 2166.84, 0.0031152/step, 3.72491 hours remaining, 235.281250 MB of memory in use. ENERGY: 695400 3930.4155 20442.8946 14393.6999 243.8295 -202908.4628 2676.7036 0.0000 0.0000 51918.6302 -109302.2895 298.3771 -161220.9197 -108936.2087 298.5163 -113.4565 -84.2574 764185.3591 2.3478 2.4657 PRESSURE: 695600 -177.706 192.947 34.4059 192.947 33.2903 295.349 34.4057 295.349 -550.623 GPRESSURE: 695600 -236.919 277.212 -57.1709 177.1 62.4709 307.763 46.1425 112.563 -449.798 PRESSAVG: 695600 18.9624 -40.1267 -6.83936 -40.1266 -31.5084 51.4527 -6.83934 51.4527 -5.03701 GPRESSAVG: 695600 17.4037 -40.3166 -7.49067 -38.8209 -30.0764 49.6006 -6.76471 52.3754 -4.9259 TIMING: 695600 CPU: 2167.46, 0.00312409/step Wall: 2167.46, 0.00312409/step, 3.73537 hours remaining, 235.281250 MB of memory in use. ENERGY: 695600 4084.7732 20448.3686 14353.8377 265.8934 -203086.1087 2777.0650 0.0000 0.0000 51670.3771 -109485.7937 296.9504 -161156.1708 -109115.1824 297.9046 -231.6797 -208.0821 764493.6464 -5.8610 -5.8662 PRESSURE: 695800 38.0209 -68.3797 -74.4326 -68.38 -597.553 253.646 -74.4321 253.646 206.03 GPRESSURE: 695800 136.315 17.2518 -81.4449 31.5364 -484.787 281.131 -11.7515 307.733 96.1931 PRESSAVG: 695800 -26.4081 -40.0931 32.3153 -40.0931 35.9549 35.8447 32.3153 35.8447 -5.08838 GPRESSAVG: 695800 -26.4222 -40.0181 31.3053 -40.4476 36.5031 37.8829 33.5712 36.6529 -5.34365 TIMING: 695800 CPU: 2168.09, 0.00312837/step Wall: 2168.09, 0.00312837/step, 3.74032 hours remaining, 235.281250 MB of memory in use. ENERGY: 695800 3988.8081 20381.3435 14448.1694 271.0232 -203453.6516 2971.8935 0.0000 0.0000 51823.6546 -109568.7593 297.8313 -161392.4139 -109204.0140 298.0955 -117.8341 -84.0931 763541.2490 1.4861 1.5791 PRESSURE: 696000 -224.63 -86.9987 -194.457 -86.9992 -163.897 -23.2442 -194.457 -23.2441 -41.7943 GPRESSURE: 696000 -177.083 -102.475 -146.949 -72.6959 -112.888 -59.7906 -195.273 -121.283 -55.1971 PRESSAVG: 696000 -39.453 -33.035 -19.1382 -33.035 32.764 13.1055 -19.1382 13.1055 -14.7644 GPRESSAVG: 696000 -37.9281 -33.0069 -18.8318 -34.0535 29.8819 11.5211 -20.2961 12.558 -13.4976 TIMING: 696000 CPU: 2168.72, 0.00313644/step Wall: 2168.72, 0.00313644/step, 3.74979 hours remaining, 235.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 696000 3996.8858 20308.6307 14397.5391 266.1536 -203174.8048 2809.7546 0.0000 0.0000 51700.6944 -109695.1466 297.1246 -161395.8410 -109329.5334 297.8577 -143.4404 -115.0561 764399.9633 -7.1511 -7.1813 PRESSURE: 696200 -456.16 -29.4781 -46.0665 -29.4774 -160.683 50.956 -46.0663 50.956 -64.1931 GPRESSURE: 696200 -473.157 -183.762 -95.1545 54.2724 -102.358 60.7594 -84.5247 112.083 -29.7459 PRESSAVG: 696200 -38.3165 -76.3366 -30.4838 -76.3366 19.4101 22.476 -30.4838 22.476 11.1966 GPRESSAVG: 696200 -39.3575 -76.1248 -29.5372 -75.9876 20.1727 23.2199 -29.2165 22.3654 11.5334 TIMING: 696200 CPU: 2169.34, 0.00312221/step Wall: 2169.34, 0.00312221/step, 3.7326 hours remaining, 235.281250 MB of memory in use. ENERGY: 696200 3949.1025 20390.2163 14377.5042 273.6646 -203802.5612 3139.0646 0.0000 0.0000 51653.3121 -110019.6969 296.8523 -161673.0090 -109659.0017 297.5348 -227.0120 -201.7538 765342.9957 -2.5699 -2.5505 LDB: ============= START OF LOAD BALANCING ============== 2181.82 LDB: ============== END OF LOAD BALANCING =============== 2181.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2181.82 LDB: ============= START OF LOAD BALANCING ============== 2182.13 LDB: Largest compute 6972 load 0.029381 is 15.1% of average load 0.194935 LDB: Average compute 0.004388 is 2.3% of average load 0.194935 LDB: TIME 2182.14 LOAD: AVG 0.194935 MAX 0.216609 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.512 MB LDB: TIME 2182.14 LOAD: AVG 0.194935 MAX 0.216609 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.715 MB LDB: TIME 2182.14 LOAD: AVG 0.194935 MAX 0.216609 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.715 MB LDB: ============== END OF LOAD BALANCING =============== 2182.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2182.14 PRESSURE: 696400 342.465 5.49971 150.432 5.49992 106.386 56.384 150.432 56.3836 70.8989 GPRESSURE: 696400 432.317 17.6181 125.646 6.02858 120.054 88.1105 22.5811 28.6863 42.401 PRESSAVG: 696400 -23.1064 -49.5225 12.677 -49.5224 9.49409 -4.73795 12.677 -4.73796 -19.7244 GPRESSAVG: 696400 -21.8776 -48.4295 13.6117 -48.2791 8.91936 -4.42991 12.2569 -5.20533 -20.5325 TIMING: 696400 CPU: 2169.98, 0.00318337/step Wall: 2169.98, 0.00318337/step, 3.80554 hours remaining, 234.507812 MB of memory in use. ENERGY: 696400 3963.4826 20601.5591 14402.5348 241.4528 -203695.9906 3048.8047 0.0000 0.0000 51710.8701 -109727.2866 297.1831 -161438.1566 -109369.6379 297.7168 173.2501 198.2574 764028.8768 -11.1122 -11.1636 PRESSURE: 696600 -84.6804 174.367 120.209 174.367 214.804 -44.7642 120.21 -44.7639 -103.087 GPRESSURE: 696600 -44.4095 93.5407 215.423 87.9765 207.443 -166.305 103.862 50.4399 -38.2008 PRESSAVG: 696600 -12.7094 13.6509 -29.2946 13.6509 9.24106 -17.5264 -29.2946 -17.5265 17.4552 GPRESSAVG: 696600 -13.5178 12.9579 -30.1188 13.9067 9.35623 -17.0243 -30.3373 -17.0708 18.5048 TIMING: 696600 CPU: 2170.6, 0.00312335/step Wall: 2170.6, 0.00312335/step, 3.73362 hours remaining, 234.507812 MB of memory in use. ENERGY: 696600 3984.1678 20403.2448 14422.6606 250.0966 -203791.3985 2993.2981 0.0000 0.0000 52121.9927 -109615.9379 299.5458 -161737.9306 -109246.3944 297.8241 9.0121 41.6108 761808.0523 4.6623 4.7811 PRESSURE: 696800 44.7877 142.76 86.3107 142.76 35.2433 -319.241 86.3115 -319.24 -129.777 GPRESSURE: 696800 46.0173 133.088 131.713 91.4452 52.0684 -379.961 182.275 -315.696 -57.4847 PRESSAVG: 696800 -15.963 -1.80634 25.3818 -1.80631 33.0838 -32.0978 25.3818 -32.0978 -9.78645 GPRESSAVG: 696800 -15.4256 -1.08204 25.521 -3.53538 33.3356 -32.8576 27.356 -33.5168 -10.6457 TIMING: 696800 CPU: 2171.23, 0.00311681/step Wall: 2171.23, 0.00311681/step, 3.72562 hours remaining, 234.507812 MB of memory in use. ENERGY: 696800 3875.9817 20541.1588 14360.9986 248.9593 -203432.2757 2760.5836 0.0000 0.0000 51846.6991 -109797.8946 297.9637 -161644.5937 -109438.6861 298.2507 -16.5821 13.5336 763629.0517 2.4448 2.4215 PRESSURE: 697000 -252.142 -50.5753 -200.225 -50.5754 -63.4243 119.658 -200.225 119.658 -241.498 GPRESSURE: 697000 -180.839 10.4091 -231.49 -80.4989 -110.974 117.72 -7.55164 89.3792 -202.282 PRESSAVG: 697000 26.2837 -25.6363 18.4014 -25.6363 -13.3973 31.1578 18.4013 31.1578 24.7917 GPRESSAVG: 697000 27.7637 -27.1344 18.9446 -23.3376 -13.983 31.5277 18.2155 31.2053 23.8604 TIMING: 697000 CPU: 2171.85, 0.00311837/step Wall: 2171.85, 0.00311837/step, 3.72731 hours remaining, 234.507812 MB of memory in use. ENERGY: 697000 4085.9973 20520.5438 14387.4571 238.9715 -203346.8495 2811.9738 0.0000 0.0000 51797.7157 -109504.1903 297.6822 -161301.9060 -109145.5316 297.6944 -185.6883 -164.6983 763672.3212 12.5594 12.5470 PRESSURE: 697200 54.376 -179.767 -90.1586 -179.767 9.88215 250.018 -90.1582 250.017 -252.493 GPRESSURE: 697200 88.6645 -103.974 -111.031 -164.626 21.0515 181.238 -139.136 246.246 -213.595 PRESSAVG: 697200 32.6061 -8.80927 19.5638 -8.80926 -28.3354 46.4977 19.5638 46.4977 -19.781 GPRESSAVG: 697200 30.2857 -8.50108 18.7657 -10.4642 -27.826 47.6191 21.0525 47.9812 -18.2107 TIMING: 697200 CPU: 2172.48, 0.00312554/step Wall: 2172.48, 0.00312554/step, 3.73571 hours remaining, 234.507812 MB of memory in use. ENERGY: 697200 4079.4616 20535.4795 14430.1761 257.8672 -203760.2937 3037.7657 0.0000 0.0000 52026.1970 -109393.3466 298.9953 -161419.5436 -109030.3017 298.4380 -62.7449 -34.6263 762716.7070 -5.1701 -5.2503 PRESSURE: 697400 82.211 -5.94433 64.5214 -5.94429 174.589 -15.4143 64.5214 -15.4145 11.4035 GPRESSURE: 697400 189.303 -109.799 45.6003 37.5521 161.003 -14.5889 69.8251 -15.6926 7.70782 PRESSAVG: 697400 -14.3534 14.9069 9.27383 14.9069 13.1027 33.8411 9.27385 33.8411 -9.23657 GPRESSAVG: 697400 -14.5131 14.7258 8.06934 12.7907 12.6903 32.3226 8.45118 31.7595 -8.62058 TIMING: 697400 CPU: 2173.1, 0.00312661/step Wall: 2173.1, 0.00312661/step, 3.73682 hours remaining, 234.507812 MB of memory in use. ENERGY: 697400 3997.3015 20598.2639 14279.8739 254.7184 -203455.0031 2885.4202 0.0000 0.0000 51680.7068 -109758.7184 297.0097 -161439.4251 -109396.3513 298.4426 89.4010 119.3378 764773.1694 -3.4957 -3.4811 PRESSURE: 697600 270.341 29.5759 167.929 29.5758 -109.759 -34.3362 167.929 -34.3355 129.539 GPRESSURE: 697600 257.056 -74.0201 207.693 79.2126 -37.8511 -54.2581 198.624 10.8751 149.89 PRESSAVG: 697600 29.6083 62.039 26.533 62.039 4.24477 3.52026 26.533 3.52027 -0.0756181 GPRESSAVG: 697600 31.3144 61.6359 26.9133 63.4834 3.91005 3.50841 25.9595 3.76556 -1.62241 TIMING: 697600 CPU: 2173.72, 0.00311611/step Wall: 2173.72, 0.00311611/step, 3.7241 hours remaining, 234.507812 MB of memory in use. ENERGY: 697600 3930.4178 20529.8950 14436.9660 249.0138 -203612.0457 3046.7560 0.0000 0.0000 51784.9045 -109634.0926 297.6086 -161418.9971 -109273.0320 297.8782 96.7071 123.0317 765247.3178 11.2591 11.2007 PRESSURE: 697800 399.596 -90.405 169.188 -90.4049 24.8951 -0.616377 169.188 -0.616202 -127.242 GPRESSURE: 697800 287.021 -24.6277 244.414 5.38418 136.149 68.2773 65.5919 12.6766 -69.2706 PRESSAVG: 697800 -32.528 -8.34171 16.7491 -8.34168 14.8651 7.03524 16.749 7.03526 28.0077 GPRESSAVG: 697800 -34.3511 -6.19026 17.845 -7.80815 15.1885 7.66424 16.9042 8.25405 29.33 TIMING: 697800 CPU: 2174.35, 0.00311384/step Wall: 2174.35, 0.00311384/step, 3.72121 hours remaining, 234.507812 MB of memory in use. ENERGY: 697800 3906.2982 20341.1333 14321.4966 265.2570 -204097.7735 3363.9896 0.0000 0.0000 52144.2751 -109755.3236 299.6739 -161899.5987 -109386.4462 297.6256 99.0829 117.9665 763408.7648 3.4483 3.3891 PRESSURE: 698000 -346.893 84.9204 -59.1902 84.9204 -382.336 -92.7022 -59.1899 -92.7016 -299.118 GPRESSURE: 698000 -329.189 129.048 -44.6111 25.8125 -326.894 -93.9992 -176.76 -24.0923 -292.381 PRESSAVG: 698000 42.0184 31.9545 67.8067 31.9546 -24.5867 30.5711 67.8067 30.571 4.00126 GPRESSAVG: 698000 43.1592 29.6778 66.9721 33.533 -24.7229 30.3808 68.4924 30.254 3.04048 TIMING: 698000 CPU: 2174.97, 0.00313366/step Wall: 2174.97, 0.00313366/step, 3.74472 hours remaining, 234.507812 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: 698000 4057.4383 20436.7544 14287.6015 236.7649 -203560.0274 2693.8561 0.0000 0.0000 51950.9348 -109896.6773 298.5627 -161847.6121 -109531.9351 298.0428 -342.7824 -316.1544 765454.2769 7.1443 7.1589 PRESSURE: 698200 -113.13 106.735 -167.947 106.736 -395.062 89.7679 -167.947 89.7681 -160.831 GPRESSURE: 698200 -86.3168 118.181 -155.563 116.917 -366.99 140.702 -226.543 120.226 -105.733 PRESSAVG: 698200 1.19618 1.9676 -8.24383 1.96767 -9.61361 -24.6404 -8.24386 -24.6404 -0.321462 GPRESSAVG: 698200 0.919251 3.58355 -7.74597 0.523598 -8.95947 -25.4448 -9.35455 -23.0587 -0.275721 TIMING: 698200 CPU: 2175.6, 0.00313208/step Wall: 2175.6, 0.00313208/step, 3.74266 hours remaining, 234.507812 MB of memory in use. ENERGY: 698200 4033.7166 20453.2634 14392.5511 255.4616 -203386.3246 2817.8173 0.0000 0.0000 52016.3554 -109417.1592 298.9387 -161433.5146 -109044.9392 297.9629 -223.0076 -186.3466 763282.1239 -2.9130 -2.7720 PRESSURE: 698400 82.2034 58.0998 107.072 58.0999 -19.2056 66.0844 107.072 66.0845 498.825 GPRESSURE: 698400 189.74 -98.484 129.627 -43.0639 -35.4243 136.074 179.12 83.2574 501.624 PRESSAVG: 698400 6.40846 5.35751 -43.6213 5.35759 59.437 5.38418 -43.6213 5.38416 5.75313 GPRESSAVG: 698400 7.73509 5.30328 -43.4222 4.9038 58.3835 5.08804 -42.8385 5.00823 5.58933 TIMING: 698400 CPU: 2176.22, 0.00311901/step Wall: 2176.22, 0.00311901/step, 3.72687 hours remaining, 234.507812 MB of memory in use. ENERGY: 698400 4101.0599 20456.9139 14356.8141 270.8617 -203709.6693 3046.4599 0.0000 0.0000 52240.3031 -109237.2568 300.2257 -161477.5599 -108875.2103 298.5452 187.2741 218.6466 762677.7714 23.8662 23.9026 PRESSURE: 698600 164.38 -46.5173 65.3921 -46.5169 -45.36 52.6015 65.3922 52.6011 125.239 GPRESSURE: 698600 128.122 -135.599 101.081 -84.7189 77.4597 -118.491 18.3478 95.1746 123.046 PRESSAVG: 698600 49.1658 7.98911 -20.2745 7.98917 -41.1391 46.3539 -20.2745 46.3538 -38.1744 GPRESSAVG: 698600 48.4209 7.2227 -19.0834 5.4484 -42.4609 46.8614 -19.4859 44.7948 -36.555 TIMING: 698600 CPU: 2176.85, 0.00311441/step Wall: 2176.85, 0.00311441/step, 3.7212 hours remaining, 234.507812 MB of memory in use. ENERGY: 698600 4064.2241 20603.3339 14355.6138 250.6342 -203261.9429 2870.3361 0.0000 0.0000 51935.9404 -109181.8605 298.4766 -161117.8008 -108825.1709 299.0267 81.4198 109.5426 763164.2834 -10.0492 -10.1983 PRESSURE: 698800 -272.818 122.857 -46.3628 122.857 -31.4545 105.109 -46.3628 105.11 31.5949 GPRESSURE: 698800 -211.497 120.423 -25.5549 150.662 -6.0988 40.8145 -121.638 65.3487 29.6049 PRESSAVG: 698800 -44.7417 1.92335 -8.1594 1.92335 74.1911 13.1193 -8.15935 13.1193 3.11138 GPRESSAVG: 698800 -43.9212 1.65341 -9.35408 3.8935 75.8777 13.6204 -10.5186 14.0535 0.678151 TIMING: 698800 CPU: 2177.47, 0.00311081/step Wall: 2177.47, 0.00311081/step, 3.71672 hours remaining, 234.507812 MB of memory in use. ENERGY: 698800 4000.3757 20511.9790 14361.5387 232.7630 -202856.7621 2506.8636 0.0000 0.0000 51977.3714 -109265.8707 298.7147 -161243.2421 -108898.4329 299.5121 -90.8926 -62.6635 760917.2565 10.8536 10.8782 PRESSURE: 699000 361.786 -196.325 -46.8337 -196.325 -85.9843 -2.35607 -46.8334 -2.3563 384.608 GPRESSURE: 699000 330.959 -191 -59.6369 -151.759 -43.4557 47.2838 32.2471 -106.712 455.304 PRESSAVG: 699000 28.2962 -2.50909 -44.6379 -2.50911 13.1819 6.80068 -44.6379 6.80071 15.6952 GPRESSAVG: 699000 25.9594 -4.09299 -43.7775 -1.91257 13.3881 4.47 -43.4111 8.44741 18.1712 TIMING: 699000 CPU: 2178.09, 0.00310663/step Wall: 2178.09, 0.00310663/step, 3.71156 hours remaining, 234.507812 MB of memory in use. ENERGY: 699000 4016.5927 20598.5762 14413.4026 264.3873 -203617.4072 3089.7629 0.0000 0.0000 52134.2481 -109100.4373 299.6162 -161234.6854 -108742.9723 299.3026 220.1365 247.6026 760603.2175 19.0578 19.1729 PRESSURE: 699200 317.341 -5.49663 -105.841 -5.49748 85.9597 120.208 -105.841 120.208 101.979 GPRESSURE: 699200 384.086 -32.992 -21.2944 91.4682 88.6308 100.248 -210.46 -7.842 104.694 PRESSAVG: 699200 61.0374 -12.3918 -9.31584 -12.3918 -16.7975 -36.6875 -9.31582 -36.6876 -0.00837831 GPRESSAVG: 699200 63.0209 -8.7933 -11.9973 -13.4379 -17.3444 -35.3276 -8.63525 -39.5374 -1.79012 TIMING: 699200 CPU: 2178.71, 0.00310083/step Wall: 2178.71, 0.00310083/step, 3.70446 hours remaining, 234.507812 MB of memory in use. ENERGY: 699200 4037.7606 20522.6119 14395.5249 255.7556 -203441.5710 2925.5442 0.0000 0.0000 52195.7958 -109108.5780 299.9700 -161304.3738 -108747.1591 299.5681 168.4266 192.4704 761890.3283 14.7438 14.6288 PRESSURE: 699400 -85.6657 -7.21055 190.124 -7.21018 -92.079 16.5791 190.124 16.5796 6.68478 GPRESSURE: 699400 21.2263 4.56774 250.359 22.8682 -37.6989 12.2034 76.6686 -70.4543 -58.9363 PRESSAVG: 699400 -10.8304 4.47545 -40.7183 4.47554 21.9639 -10.964 -40.7182 -10.9641 16.3279 GPRESSAVG: 699400 -10.8567 4.24136 -39.3075 4.48857 22.0037 -8.69668 -40.8788 -13.5173 16.0291 TIMING: 699400 CPU: 2179.33, 0.00309392/step Wall: 2179.33, 0.00309392/step, 3.69603 hours remaining, 234.507812 MB of memory in use. ENERGY: 699400 3980.9837 20645.3520 14431.8295 241.1925 -203247.3289 2933.4842 0.0000 0.0000 52175.2059 -108839.2811 299.8516 -161014.4870 -108482.2567 299.2020 -57.0200 -25.1363 762844.0726 9.1538 9.0587 PRESSURE: 699600 300.441 -156.024 64.1809 -156.024 48.2298 -38.2322 64.1804 -38.2315 126.102 GPRESSURE: 699600 328.992 -98.8119 56.3703 -59.7889 12.9764 -56.0554 76.3263 166.34 208.031 PRESSAVG: 699600 2.34088 54.9206 -27.1055 54.9206 -17.0567 -43.4709 -27.1055 -43.4709 21.8243 GPRESSAVG: 699600 1.21048 53.5207 -28.1993 56.0095 -16.7472 -45.1186 -26.5268 -38.9303 22.1647 TIMING: 699600 CPU: 2179.95, 0.00309815/step Wall: 2179.95, 0.00309815/step, 3.70092 hours remaining, 234.507812 MB of memory in use. ENERGY: 699600 3932.9283 20501.0964 14455.5955 254.6082 -203293.4395 3074.5838 0.0000 0.0000 52109.0863 -108965.5412 299.4716 -161074.6275 -108605.4474 299.3755 158.2577 183.3332 763417.5275 2.3695 2.2094 PRESSURE: 699800 39.4285 -166.697 -159.869 -166.697 -110.277 -47.0052 -159.87 -47.0047 277.305 GPRESSURE: 699800 59.8685 -154.742 -198.426 -301.091 -68.8591 -105.127 -154.29 -92.233 275.551 PRESSAVG: 699800 -12.0216 9.13056 3.13907 9.13057 10.2812 -48.6162 3.13903 -48.6162 14.2922 GPRESSAVG: 699800 -12.0771 9.6177 1.78234 9.42235 11.1135 -47.425 3.17653 -51.7706 13.5371 TIMING: 699800 CPU: 2180.57, 0.00309427/step Wall: 2180.57, 0.00309427/step, 3.69611 hours remaining, 234.507812 MB of memory in use. ENERGY: 699800 4049.9452 20598.1041 14407.1748 236.0303 -203117.0322 3012.9491 0.0000 0.0000 51843.8226 -108969.0060 297.9472 -160812.8286 -108607.8887 299.6677 68.8190 88.8534 763398.3444 4.1839 4.1912 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 700000 WRITING COORDINATES TO RESTART FILE AT STEP 700000 FINISHED WRITING RESTART COORDINATES The last position output (seq=700000) takes 0.014 seconds, 234.508 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 700000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 700000 -137.888 9.99188 245.372 9.99205 -37.2522 -97.7107 245.371 -97.7107 -255.178 GPRESSURE: 700000 -137.373 48.6554 196.643 57.4884 -1.91292 -107.455 172.301 -25.6835 -212.931 PRESSAVG: 700000 24.4107 68.7858 -6.07339 68.7857 -20.7179 24.5382 -6.07337 24.5381 -21.4739 GPRESSAVG: 700000 23.6277 67.0346 -6.12945 67.6503 -20.9454 23.483 -4.33704 27.6052 -20.7824 TIMING: 700000 CPU: 2181.21, 0.00320753/step Wall: 2181.21, 0.00320753/step, 3.83121 hours remaining, 234.507812 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: 700000 4030.8585 20413.3210 14405.6282 242.6089 -202849.1447 2461.7754 0.0000 0.0000 52252.7162 -109042.2364 300.2971 -161294.9526 -108672.3885 299.0114 -143.4393 -117.4055 763243.1599 -5.9270 -6.0334 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 700000 PRESSURE: 700200 -216.306 -49.1479 -226.406 -49.1471 233.368 -88.1223 -226.406 -88.1223 282.69 GPRESSURE: 700200 -170.201 -17.9509 -169.354 -52.7106 279.035 -92.174 -61.2835 -77.1726 288.883 PRESSAVG: 700200 -15.1741 -39.7954 -21.9751 -39.7954 37.9431 60.8661 -21.975 60.8661 7.75587 GPRESSAVG: 700200 -15.1154 -38.6284 -21.3326 -39.2459 37.4037 59.6345 -23.0341 59.5405 8.15563 TIMING: 700200 CPU: 2181.83, 0.003128/step Wall: 2181.83, 0.003128/step, 3.73605 hours remaining, 234.507812 MB of memory in use. ENERGY: 700200 4038.7165 20501.0681 14418.5880 234.4377 -203300.5694 3085.7187 0.0000 0.0000 51818.6583 -109203.3821 297.8025 -161022.0404 -108846.3509 298.3913 99.9171 132.5723 761351.2757 10.1750 10.1480 LDB: ============= START OF LOAD BALANCING ============== 2194.31 LDB: ============== END OF LOAD BALANCING =============== 2194.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2194.32 LDB: ============= START OF LOAD BALANCING ============== 2194.63 LDB: Largest compute 6972 load 0.032182 is 16.5% of average load 0.195046 LDB: Average compute 0.004387 is 2.2% of average load 0.195046 LDB: TIME 2194.63 LOAD: AVG 0.195046 MAX 0.216748 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.305 MB LDB: TIME 2194.63 LOAD: AVG 0.195046 MAX 0.216748 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.562 MB LDB: TIME 2194.63 LOAD: AVG 0.195046 MAX 0.216748 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.562 MB LDB: ============== END OF LOAD BALANCING =============== 2194.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2194.64 PRESSURE: 700400 -71.6188 143.75 118.148 143.749 227.242 58.4673 118.148 58.4673 -35.6741 GPRESSURE: 700400 -57.7209 98.6768 150.611 108.026 201.177 42.6594 66.7722 123.704 56.8501 PRESSAVG: 700400 18.6781 18.2432 28.6561 18.2432 -26.5293 3.79499 28.656 3.79495 12.5671 GPRESSAVG: 700400 19.3408 18.7461 30.2085 19.7521 -25.6894 4.15273 28.6692 2.95989 11.7479 TIMING: 700400 CPU: 2182.48, 0.00320327/step Wall: 2182.48, 0.00320327/step, 3.82577 hours remaining, 235.144531 MB of memory in use. ENERGY: 700400 3962.9722 20620.2997 14350.0538 257.1340 -203128.8814 2794.1028 0.0000 0.0000 51970.2772 -109174.0417 298.6739 -161144.3190 -108809.6222 299.2379 39.9831 66.7689 763764.3889 1.5720 1.7998 PRESSURE: 700600 153.295 21.4164 16.3463 21.4152 61.1143 53.4449 16.3462 53.4458 72.4373 GPRESSURE: 700600 118.297 19.9161 62.3296 -97.8567 75.4488 55.3042 -122.546 82.0684 166.65 PRESSAVG: 700600 -49.0827 3.79024 0.185737 3.7902 79.7658 39.4273 0.185714 39.4272 -8.95857 GPRESSAVG: 700600 -49.4852 3.28416 0.121159 1.73582 78.5965 39.3641 -1.27619 42.1153 -7.61436 TIMING: 700600 CPU: 2183.1, 0.00313198/step Wall: 2183.1, 0.00313198/step, 3.74046 hours remaining, 235.289062 MB of memory in use. ENERGY: 700600 3985.4730 20636.1774 14407.7978 236.1748 -203259.4039 2943.4281 0.0000 0.0000 52099.8314 -108950.5213 299.4184 -161050.3527 -108575.4028 298.9566 95.6157 120.1319 763914.3568 7.2415 7.1656 PRESSURE: 700800 15.1074 -27.6106 -13.6225 -27.61 -277.899 31.3149 -13.6221 31.3143 -192.357 GPRESSURE: 700800 60.1329 8.68713 66.7082 6.35353 -177.489 -48.7092 17.3737 -112.966 -247.901 PRESSAVG: 700800 -41.8084 -29.0374 16.7636 -29.0373 44.092 -2.55231 16.7635 -2.55233 -2.47156 GPRESSAVG: 700800 -41.7587 -30.0881 16.2284 -27.6566 44.2769 -0.0666193 18.8101 -5.62889 -3.45551 TIMING: 700800 CPU: 2183.73, 0.00313353/step Wall: 2183.73, 0.00313353/step, 3.74213 hours remaining, 235.289062 MB of memory in use. ENERGY: 700800 4051.9064 20659.1184 14357.3599 231.2532 -203089.4282 2751.9399 0.0000 0.0000 52010.4399 -109027.4104 298.9047 -161037.8503 -108682.4626 299.6051 -151.7163 -121.7525 766115.8568 -0.0626 -0.3124 PRESSURE: 701000 -134.208 -29.3123 168.503 -29.3123 99.4111 39.4045 168.503 39.4041 103.353 GPRESSURE: 701000 -120.314 -35.3028 136.708 -123.123 147.021 25.3226 116.116 73.4217 131.244 PRESSAVG: 701000 -9.56079 9.1295 -11.23 9.12951 -11.6332 9.76341 -11.23 9.76341 -1.76597 GPRESSAVG: 701000 -10.1717 8.90453 -11.7086 8.06143 -11.5916 9.16179 -12.2388 9.33559 -1.57909 TIMING: 701000 CPU: 2184.36, 0.00314031/step Wall: 2184.36, 0.00314031/step, 3.75005 hours remaining, 235.289062 MB of memory in use. ENERGY: 701000 4011.7610 20717.6008 14336.4862 243.3647 -203230.8326 2767.2169 0.0000 0.0000 51865.1353 -109289.2676 298.0696 -161154.4029 -108934.2339 299.1231 22.8520 52.6503 764817.2304 -7.6533 -7.7808 PRESSURE: 701200 22.5441 103.948 -38.6227 103.947 350.594 -143.195 -38.623 -143.195 -39.4275 GPRESSURE: 701200 21.3224 20.2806 -16.227 126.637 361.401 -104.446 -49.8097 -97.8966 33.443 PRESSAVG: 701200 -15.6338 -2.76908 -9.34889 -2.76905 27.6804 9.5119 -9.3489 9.51198 -6.7555 GPRESSAVG: 701200 -13.5443 -1.14397 -8.14091 -2.2412 25.3215 8.45098 -9.19878 11.3567 -6.91636 TIMING: 701200 CPU: 2184.98, 0.00313662/step Wall: 2184.98, 0.00313663/step, 3.74548 hours remaining, 235.289062 MB of memory in use. ENERGY: 701200 3967.2675 20578.0178 14397.0143 250.6255 -203051.9648 2615.4414 0.0000 0.0000 51916.0510 -109327.5473 298.3623 -161243.5983 -108966.1922 299.0477 111.2369 138.7221 763504.5260 1.7637 1.6203 PRESSURE: 701400 -449.989 27.2314 48.1152 27.2307 -57.8764 -8.92985 48.1143 -8.92903 -212.88 GPRESSURE: 701400 -338.884 -92.5466 13.2016 140.207 -135.472 -30.4255 120.276 -25.7636 -171.908 PRESSAVG: 701400 -2.9198 14.4181 50.9884 14.4181 26.6331 -11.2512 50.9885 -11.2512 -14.5087 GPRESSAVG: 701400 -3.78138 12.4241 51.6179 15.1903 28.1992 -10.5033 50.8337 -10.9189 -14.5274 TIMING: 701400 CPU: 2185.61, 0.00312087/step Wall: 2185.61, 0.00312087/step, 3.72649 hours remaining, 235.289062 MB of memory in use. ENERGY: 701400 4014.7307 20458.9430 14417.2330 244.5700 -203279.7693 2857.4859 0.0000 0.0000 52007.2633 -109279.5435 298.8865 -161286.8068 -108916.4397 298.7050 -240.2487 -215.4213 763000.2888 3.0682 3.2968 PRESSURE: 701600 -88.274 204.315 158.087 204.316 -81.6401 -224.049 158.086 -224.049 -171.468 GPRESSURE: 701600 -133.503 184.26 234.721 264.492 39.0988 -151.332 226.454 -245.819 -149.333 PRESSAVG: 701600 -43.4361 -1.96549 64.7944 -1.96548 -4.49965 -19.0424 64.7944 -19.0425 13.7494 GPRESSAVG: 701600 -43.1749 -2.91319 62.6616 -1.53035 -4.38719 -18.1273 65.0946 -19.7774 13.5308 TIMING: 701600 CPU: 2186.23, 0.00313004/step Wall: 2186.23, 0.00313004/step, 3.73727 hours remaining, 235.289062 MB of memory in use. ENERGY: 701600 3988.1967 20601.7424 14344.4507 238.7314 -203556.2869 3109.6677 0.0000 0.0000 52014.6806 -109258.8173 298.9291 -161273.4979 -108898.5392 298.7268 -113.7940 -81.2457 761683.7198 -11.3955 -11.3438 PRESSURE: 701800 -152.589 100.256 98.2729 100.257 80.2565 -239.025 98.2724 -239.024 -38.9422 GPRESSURE: 701800 -97.3724 177.335 127.586 -30.5188 122.698 -241.676 -39.998 -207.497 -52.767 PRESSAVG: 701800 -15.0761 -13.7075 58.6073 -13.7075 14.5211 -19.8301 58.6074 -19.8301 19.7111 GPRESSAVG: 701800 -14.9205 -11.2643 61.6727 -15.8286 13.8484 -21.9466 58.7127 -18.0346 20.3497 TIMING: 701800 CPU: 2186.86, 0.00313487/step Wall: 2186.86, 0.00313487/step, 3.74286 hours remaining, 235.289062 MB of memory in use. ENERGY: 701800 4058.3256 20425.7405 14380.1104 245.3963 -203274.9956 2914.7738 0.0000 0.0000 52110.5825 -109140.0665 299.4802 -161250.6490 -108788.9034 298.2294 -37.0916 -9.1470 763378.8981 6.3854 6.4259 PRESSURE: 702000 -263.678 -308.613 212.977 -308.612 266.894 15.019 212.977 15.0186 -233.611 GPRESSURE: 702000 -223.893 -205.203 305.334 -211.057 312.996 -16.5674 117.342 16.2152 -232.713 PRESSAVG: 702000 25.8149 -42.2815 -20.4156 -42.2815 -14.9704 49.8717 -20.4156 49.8715 -29.6915 GPRESSAVG: 702000 25.4917 -41.1854 -21.9414 -41.056 -14.4003 50.9437 -22.6604 47.8116 -29.7967 TIMING: 702000 CPU: 2187.49, 0.00314162/step Wall: 2187.49, 0.00314162/step, 3.75075 hours remaining, 235.289062 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: 702000 4043.7453 20465.6293 14393.0111 265.4342 -203121.8080 2759.7793 0.0000 0.0000 51948.4562 -109245.7526 298.5485 -161194.2089 -108883.3683 298.6755 -76.7983 -47.8700 761823.9637 -6.2824 -6.2351 PRESSURE: 702200 -252.541 47.2471 -189.982 47.2467 218.77 -184.051 -189.983 -184.051 186.921 GPRESSURE: 702200 -184.051 57.7114 -254.269 116.429 242.534 -79.1138 -180.424 -164.892 164.069 PRESSAVG: 702200 -55.8049 13.6949 -50.1108 13.6949 85.8588 -27.9193 -50.1108 -27.9193 6.93525 GPRESSAVG: 702200 -56.0062 10.5283 -48.405 12.3927 87.032 -27.3824 -50.9687 -25.9203 6.21188 TIMING: 702200 CPU: 2188.11, 0.00312193/step Wall: 2188.11, 0.00312193/step, 3.72706 hours remaining, 235.289062 MB of memory in use. ENERGY: 702200 4010.7483 20400.8564 14399.4239 269.0709 -203577.5435 2879.7523 0.0000 0.0000 52001.7047 -109615.9871 298.8545 -161617.6918 -109261.8775 298.2436 51.0499 74.1839 761640.2045 12.3297 12.4125 PRESSURE: 702400 -220.536 37.318 -136.445 37.3179 -39.288 22.2656 -136.446 22.2664 -197.799 GPRESSURE: 702400 -119.554 74.0431 -30.102 -43.1673 -112.675 73.9476 -169.389 77.7953 -163.937 PRESSAVG: 702400 -3.82233 -63.5729 -18.2814 -63.5729 27.8418 29.0911 -18.2813 29.091 7.57703 GPRESSAVG: 702400 -2.88573 -61.022 -20.6809 -62.5069 26.4626 29.1088 -14.7698 30.2452 7.74132 TIMING: 702400 CPU: 2188.74, 0.00313034/step Wall: 2188.74, 0.00313034/step, 3.73692 hours remaining, 235.289062 MB of memory in use. ENERGY: 702400 3962.6876 20450.9402 14339.9233 238.9232 -203556.8061 2999.9201 0.0000 0.0000 51886.7229 -109677.6888 298.1937 -161564.4117 -109322.8203 298.2744 -152.5411 -132.0555 762107.9773 10.5322 10.4394 PRESSURE: 702600 -299.201 50.0525 4.11152 50.0521 -298.026 153.714 4.112 153.714 -55.6575 GPRESSURE: 702600 -321.589 68.6736 27.6206 57.9451 -250.086 138.47 -12.5454 117.097 -12.5866 PRESSAVG: 702600 5.54946 17.8571 21.6556 17.857 24.7512 53.637 21.6556 53.6369 -5.56123 GPRESSAVG: 702600 3.86341 16.5221 21.0895 18.4505 25.9325 53.5432 19.835 52.0642 -5.40117 TIMING: 702600 CPU: 2189.36, 0.00312004/step Wall: 2189.36, 0.00312003/step, 3.72445 hours remaining, 235.289062 MB of memory in use. ENERGY: 702600 4027.9067 20577.0618 14444.7350 236.8591 -203335.3426 2545.3256 0.0000 0.0000 51950.4939 -109552.9605 298.5602 -161503.4544 -109202.6645 298.0931 -217.6281 -194.7538 762550.6591 8.2465 8.1316 PRESSURE: 702800 -79.9497 -11.2411 327.851 -11.2419 11.8773 23.1885 327.851 23.189 30.4445 GPRESSURE: 702800 29.0446 -7.06493 225.643 -178.534 -21.3229 -14.5544 176.501 36.0899 40.6729 PRESSAVG: 702800 -3.06438 -51.0317 2.52998 -51.0317 -4.4893 25.7287 2.52994 25.7287 -15.7894 GPRESSAVG: 702800 -2.84827 -50.5172 1.77532 -53.473 -5.37447 24.7756 3.78699 24.2196 -14.3829 TIMING: 702800 CPU: 2189.98, 0.0031053/step Wall: 2189.98, 0.0031053/step, 3.70669 hours remaining, 235.289062 MB of memory in use. ENERGY: 702800 3926.8804 20267.3826 14407.5924 260.0186 -203627.6931 2996.2331 0.0000 0.0000 52394.2868 -109375.2991 301.1107 -161769.5859 -109003.5907 298.8924 -12.5426 16.1315 761539.5572 -7.7810 -7.5352 PRESSURE: 703000 -8.97345 81.3149 -72.2638 81.3163 18.8877 -139.702 -72.2639 -139.702 149.21 GPRESSURE: 703000 9.73891 123.713 -86.3006 -3.24458 0.761862 -158.807 -91.5906 -109.769 229.218 PRESSAVG: 703000 -35.0495 -22.6091 30.2498 -22.6091 73.4134 10.2511 30.2498 10.251 12.8537 GPRESSAVG: 703000 -34.3238 -23.6216 32.8333 -20.5607 73.4807 8.99326 29.2438 13.4537 11.5198 TIMING: 703000 CPU: 2190.61, 0.0031323/step Wall: 2190.61, 0.0031323/step, 3.73875 hours remaining, 235.289062 MB of memory in use. ENERGY: 703000 4070.6295 20400.8874 14419.9645 258.3201 -203478.7075 2932.8595 0.0000 0.0000 52360.8565 -109035.1900 300.9186 -161396.0465 -108662.1158 299.2471 53.0416 79.9063 762088.6466 17.0725 16.8922 PRESSURE: 703200 50.1057 22.8177 -59.8455 22.8176 -123.637 -136.427 -59.8447 -136.428 89.1843 GPRESSURE: 703200 21.4618 -31.0256 -13.5957 96.918 20.2322 -101.176 -32.3223 -175.361 60.3936 PRESSAVG: 703200 -35.6003 -38.1182 -8.62302 -38.1181 35.6971 9.34706 -8.62301 9.34703 -8.26306 GPRESSAVG: 703200 -36.0493 -38.5627 -8.46996 -37.7082 37.7209 9.97552 -7.05869 8.2632 -9.64115 TIMING: 703200 CPU: 2191.24, 0.00312727/step Wall: 2191.24, 0.00312727/step, 3.73257 hours remaining, 235.289062 MB of memory in use. ENERGY: 703200 3943.1706 20513.3077 14379.7283 243.7050 -203472.3569 2960.1295 0.0000 0.0000 52290.4097 -109141.9061 300.5137 -161432.3158 -108770.3422 299.1893 5.2177 34.0292 761923.1478 -2.7221 -2.6565 PRESSURE: 703400 112.236 80.2792 62.7494 80.2805 100.533 -218.498 62.7499 -218.497 -14.8456 GPRESSURE: 703400 74.3804 148.6 121.496 98.0434 88.737 -217.769 47.8605 -170.46 101.133 PRESSAVG: 703400 -18.2035 -59.5984 -3.09627 -59.5984 9.36314 -18.3357 -3.09621 -18.3357 -15.1585 GPRESSAVG: 703400 -19.6362 -57.763 -3.96275 -61.2806 8.38916 -19.023 -3.83484 -18.5399 -12.7472 TIMING: 703400 CPU: 2191.86, 0.00311982/step Wall: 2191.86, 0.00311982/step, 3.72351 hours remaining, 235.289062 MB of memory in use. ENERGY: 703400 4008.1165 20646.0637 14397.0251 251.0658 -203154.3307 2831.0811 0.0000 0.0000 52157.2841 -108863.6944 299.7486 -161020.9785 -108501.5577 299.3855 65.9742 88.0835 764340.9889 -7.9996 -7.9981 PRESSURE: 703600 57.9608 83.8664 -39.2906 83.8665 74.4709 132.926 -39.2891 132.926 -312.513 GPRESSURE: 703600 8.14699 85.8218 -88.7862 62.1676 159.426 88.4186 -47.3553 72.6793 -265.092 PRESSAVG: 703600 -10.3898 24.1514 6.61769 24.1514 35.5923 -52.5874 6.6177 -52.5874 -3.98124 GPRESSAVG: 703600 -8.43889 25.1248 7.25738 24.5106 35.3901 -52.3434 5.32334 -54.2126 -5.63604 TIMING: 703600 CPU: 2192.49, 0.00314522/step Wall: 2192.49, 0.00314522/step, 3.75365 hours remaining, 235.289062 MB of memory in use. ENERGY: 703600 4044.0315 20805.6648 14445.0672 265.3199 -203112.2132 2918.7004 0.0000 0.0000 51992.3047 -108641.1246 298.8005 -160633.4294 -108283.4390 300.2743 -60.0271 -32.5061 763042.6412 7.0737 7.1051 PRESSURE: 703800 156.21 -140.057 -90.7621 -140.058 61.9954 -43.8826 -90.7623 -43.882 -100.485 GPRESSURE: 703800 131.148 -137.95 -124.704 -199.423 87.5548 -47.759 88.3115 33.4509 -15.9838 PRESSAVG: 703800 10.244 4.07774 3.3166 4.07778 2.66301 34.4842 3.31663 34.4843 2.01893 GPRESSAVG: 703800 9.55842 2.99285 2.6886 3.95096 2.83478 35.7164 5.57375 36.7564 2.88618 TIMING: 703800 CPU: 2193.11, 0.00311279/step Wall: 2193.11, 0.00311279/step, 3.71477 hours remaining, 235.289062 MB of memory in use. ENERGY: 703800 3896.4193 20590.2658 14452.7097 255.1092 -203534.7201 3135.6650 0.0000 0.0000 52170.0928 -109034.4582 299.8222 -161204.5510 -108664.9552 299.6589 39.2401 67.5729 762721.7168 4.9753 5.0931 PRESSURE: 704000 -27.11 -136.148 -156.796 -136.148 -113.453 -30.2922 -156.796 -30.2915 -529.122 GPRESSURE: 704000 -68.9004 -51.2162 -258.3 -91.6775 -49.3422 39.0236 -60.2349 -143.935 -477.986 PRESSAVG: 704000 -67.1094 -13.6024 -14.1318 -13.6024 48.6033 19.0946 -14.1318 19.0945 -13.7462 GPRESSAVG: 704000 -67.4174 -13.9786 -14.2633 -12.96 49.0461 19.0888 -16.627 16.8306 -14.5251 TIMING: 704000 CPU: 2193.73, 0.00309117/step Wall: 2193.73, 0.00309117/step, 3.6888 hours remaining, 235.289062 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: 704000 4057.1416 20611.3573 14499.9946 254.6169 -203158.4840 2688.9489 0.0000 0.0000 52327.5724 -108718.8524 300.7273 -161046.4248 -108354.5910 299.9333 -223.2283 -198.7428 763842.2597 -10.7508 -10.9655 PRESSURE: 704200 229.693 -72.0012 126.494 -72.0015 157.775 46.3239 126.495 46.3233 304.274 GPRESSURE: 704200 241.987 21.9946 224.901 -23.6183 240.555 34.9216 92.8258 21.6093 298.505 PRESSAVG: 704200 -88.4881 -7.20243 10.0117 -7.20248 31.5305 -13.2264 10.0117 -13.2263 -10.707 GPRESSAVG: 704200 -89.0039 -7.01573 11.8466 -8.21604 30.3648 -13.7056 10.9139 -11.1708 -9.44462 TIMING: 704200 CPU: 2194.35, 0.00310429/step Wall: 2194.35, 0.00310429/step, 3.70428 hours remaining, 235.289062 MB of memory in use. ENERGY: 704200 3929.3819 20752.4285 14416.8523 272.2474 -202885.0974 2800.1563 0.0000 0.0000 52385.2621 -108328.7689 301.0588 -160714.0309 -107964.1169 300.8181 230.5810 260.3489 766130.7696 -22.5549 -22.6946 LDB: ============= START OF LOAD BALANCING ============== 2206.83 LDB: ============== END OF LOAD BALANCING =============== 2206.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2206.83 LDB: ============= START OF LOAD BALANCING ============== 2207.14 LDB: Largest compute 6972 load 0.030002 is 15.4% of average load 0.194967 LDB: Average compute 0.004404 is 2.3% of average load 0.194967 LDB: TIME 2207.15 LOAD: AVG 0.194967 MAX 0.216169 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.375 MB LDB: TIME 2207.15 LOAD: AVG 0.194967 MAX 0.216169 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.375 MB LDB: TIME 2207.15 LOAD: AVG 0.194967 MAX 0.216169 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.375 MB LDB: ============== END OF LOAD BALANCING =============== 2207.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2207.15 PRESSURE: 704400 157.297 37.3696 58.9948 37.3704 136.569 72.1558 58.9943 72.1556 -178.455 GPRESSURE: 704400 169.191 96.0701 156.028 -52.2998 203.984 93.7869 46.9334 -2.76162 -179.101 PRESSAVG: 704400 32.357 -19.8697 -8.98833 -19.8697 9.98237 1.46755 -8.98838 1.46758 -3.40308 GPRESSAVG: 704400 33.1192 -19.596 -11.4145 -20.474 9.87001 0.574055 -7.203 1.24215 -3.65877 TIMING: 704400 CPU: 2194.99, 0.00317943/step Wall: 2194.99, 0.00317943/step, 3.79377 hours remaining, 234.179688 MB of memory in use. ENERGY: 704400 4039.4234 20539.8387 14339.3684 261.9112 -202902.4327 2831.0159 0.0000 0.0000 52343.3986 -108547.4765 300.8182 -160890.8750 -108169.8926 301.1266 38.4706 64.6915 764551.1421 12.9787 13.1101 PRESSURE: 704600 215.814 -7.61773 10.5491 -7.61816 118.987 183.829 10.5491 183.831 -387.083 GPRESSURE: 704600 209.735 3.25947 70.0854 19.5895 151.379 72.0355 -65.3014 157.441 -351.824 PRESSAVG: 704600 -16.064 3.33744 -44.5361 3.3375 21.857 -28.8377 -44.5361 -28.8377 24.1509 GPRESSAVG: 704600 -17.8112 0.981388 -41.8471 5.02147 23.1076 -27.5801 -46.7329 -30.6032 24.8027 TIMING: 704600 CPU: 2195.61, 0.00311641/step Wall: 2195.61, 0.00311641/step, 3.7184 hours remaining, 234.179688 MB of memory in use. ENERGY: 704600 3994.1304 20583.1980 14467.3748 243.4757 -203347.5020 3117.0330 0.0000 0.0000 52509.9092 -108432.3809 301.7752 -160942.2902 -108068.0081 300.7383 -17.4275 3.0963 764133.2298 9.9813 10.0330 PRESSURE: 704800 183.414 169.615 -8.71969 169.614 21.6223 -199.692 -8.71969 -199.692 -18.4082 GPRESSURE: 704800 130.333 197.955 54.0732 166.29 92.6933 -227.288 -55.2953 -6.67166 34.2155 PRESSAVG: 704800 -3.6044 29.6874 -43.3962 29.6874 61.6021 9.74495 -43.3961 9.74494 -8.5191 GPRESSAVG: 704800 -1.78012 31.6857 -45.3365 29.7939 60.5677 9.57394 -44.0819 13.5605 -9.25686 TIMING: 704800 CPU: 2196.23, 0.0031132/step Wall: 2196.23, 0.0031132/step, 3.71439 hours remaining, 234.179688 MB of memory in use. ENERGY: 704800 4053.3706 20642.3759 14443.4289 235.2177 -202956.1683 2768.5509 0.0000 0.0000 52496.5712 -108316.6532 301.6985 -160813.2243 -107949.6588 300.8336 62.2092 85.7473 763779.6673 16.4929 16.5102 PRESSURE: 705000 -325.504 176.895 -75.7157 176.895 -125.559 -13.8916 -75.716 -13.89 -5.79009 GPRESSURE: 705000 -262.24 102.224 -69.8892 161.604 -174.509 -30.4276 -141.585 -14.5762 52.6407 PRESSAVG: 705000 20.754 3.47272 -11.5388 3.47268 -13.6903 2.41058 -11.5388 2.41061 11.8794 GPRESSAVG: 705000 21.1641 3.33907 -12.5061 3.88865 -14.4385 1.15674 -10.4374 2.29286 12.1711 TIMING: 705000 CPU: 2196.86, 0.00313693/step Wall: 2196.86, 0.00313693/step, 3.74253 hours remaining, 234.179688 MB of memory in use. ENERGY: 705000 3997.1330 20545.0816 14426.5822 227.2727 -202662.5460 2550.4878 0.0000 0.0000 52331.5052 -108584.4834 300.7499 -160915.9887 -108217.4364 300.4211 -152.2846 -128.0362 764346.2666 6.3143 6.2989 PRESSURE: 705200 -159.462 9.607 -0.576556 9.60702 23.1946 -23.2462 -0.576562 -23.2455 192.154 GPRESSURE: 705200 -107.384 62.9662 171.444 19.4166 -20.8476 35.7145 -64.5778 47.3373 267.412 PRESSAVG: 705200 -29.6846 3.9728 -18.7942 3.97279 25.4149 -9.63079 -18.7942 -9.63077 -5.57751 GPRESSAVG: 705200 -30.6823 4.91276 -19.0185 2.28811 26.0338 -10.127 -18.9101 -11.4349 -5.77186 TIMING: 705200 CPU: 2197.48, 0.00311747/step Wall: 2197.48, 0.00311747/step, 3.71914 hours remaining, 234.179688 MB of memory in use. ENERGY: 705200 4028.8661 20735.9495 14428.2522 244.9033 -202859.7091 2692.4852 0.0000 0.0000 52190.4289 -108538.8240 299.9391 -160729.2529 -108177.2557 300.3385 18.6288 46.3933 762372.2861 -3.2824 -3.4735 PRESSURE: 705400 534.515 185.592 192.991 185.592 45.2586 -36.5683 192.991 -36.5688 225.521 GPRESSURE: 705400 437.81 -2.06496 187.619 153.638 199.532 15.023 266.358 -47.1883 253.065 PRESSAVG: 705400 -4.36042 7.39817 -45.0964 7.3981 24.4097 -14.1032 -45.0964 -14.1032 -7.4636 GPRESSAVG: 705400 -4.94133 5.30022 -44.2342 7.13619 23.9644 -13.7631 -45.7244 -13.1719 -6.762 TIMING: 705400 CPU: 2198.11, 0.00312874/step Wall: 2198.11, 0.00312874/step, 3.73241 hours remaining, 234.179688 MB of memory in use. ENERGY: 705400 3939.0472 20563.3237 14457.7182 262.2793 -203746.4191 3078.6111 0.0000 0.0000 52454.6607 -108990.7788 301.4577 -161445.4396 -108618.5956 300.2822 268.4315 296.8024 761972.0935 4.1952 4.0870 PRESSURE: 705600 269.244 143.89 -201.375 143.89 172.86 202.361 -201.376 202.361 -387.795 GPRESSURE: 705600 305.515 116.15 -178.839 34.9833 209.38 141.367 -411.081 154.735 -370.59 PRESSAVG: 705600 -26.1356 38.7882 17.2657 38.7882 12.0142 31.5253 17.2656 31.5254 7.3193 GPRESSAVG: 705600 -25.6698 37.1431 17.1748 39.0505 11.7656 31.9137 18.7883 31.6296 7.48235 TIMING: 705600 CPU: 2198.73, 0.00311757/step Wall: 2198.73, 0.00311757/step, 3.71891 hours remaining, 234.179688 MB of memory in use. ENERGY: 705600 3971.0230 20582.3788 14484.0553 262.2328 -203221.6852 3002.9773 0.0000 0.0000 51854.0976 -109064.9203 298.0062 -160919.0179 -108705.1892 299.6620 18.1031 48.1014 761953.8915 -2.2674 -2.1406 PRESSURE: 705800 110.149 90.5523 -95.4598 90.552 -304.886 68.6198 -95.4599 68.621 -502.059 GPRESSURE: 705800 179.491 132.247 -78.4409 135.261 -280.264 44.8048 -41.1186 62.6763 -539.985 PRESSAVG: 705800 -46.0512 -27.7534 17.0436 -27.7534 6.91612 -3.94871 17.0436 -3.94874 12.8569 GPRESSAVG: 705800 -44.8638 -26.6511 17.571 -25.5304 6.08098 -3.64562 14.2084 -5.11244 12.1479 TIMING: 705800 CPU: 2199.36, 0.00312131/step Wall: 2199.36, 0.00312131/step, 3.72321 hours remaining, 234.179688 MB of memory in use. ENERGY: 705800 4068.6480 20400.6706 14454.9891 247.3137 -203052.0248 2595.5149 0.0000 0.0000 52071.9123 -109212.9761 299.2580 -161284.8884 -108853.3249 298.9892 -232.2653 -213.5862 762505.1852 -8.7594 -8.8783 PRESSURE: 706000 363.715 -56.1367 99.4988 -56.1362 117.007 -5.68088 99.4989 -5.68162 60.0677 GPRESSURE: 706000 337 -132.7 137.507 -107.606 162.812 -28.9648 84.995 -77.1622 120.127 PRESSAVG: 706000 -4.72971 -11.0706 10.326 -11.0706 -8.01297 -15.1291 10.326 -15.1291 11.4456 GPRESSAVG: 706000 -5.04553 -10.0314 10.1269 -12.6008 -7.70268 -15.5511 11.7966 -15.7264 11.1515 TIMING: 706000 CPU: 2199.98, 0.00310911/step Wall: 2199.98, 0.00310911/step, 3.70848 hours remaining, 234.179688 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: 706000 3955.9311 20450.8002 14406.2006 231.9138 -203381.3170 2847.7248 0.0000 0.0000 52163.4683 -109325.2781 299.7842 -161488.7465 -108972.7678 299.3052 180.2630 206.6462 763075.4698 -0.4324 -0.5322 PRESSURE: 706200 -203.103 -87.2126 -88.8633 -87.2127 -157.635 -105.208 -88.8628 -105.208 -350.793 GPRESSURE: 706200 -111.366 -86.9957 -146.865 -155.638 -200.548 -77.7549 -105.833 -86.6266 -292.858 PRESSAVG: 706200 16.9311 -3.70845 42.0655 -3.70841 -2.09362 41.1841 42.0655 41.184 -14.136 GPRESSAVG: 706200 16.4326 -4.10116 41.3326 -3.46867 -0.868306 41.8947 44.2769 42.7576 -14.5814 TIMING: 706200 CPU: 2200.6, 0.0031058/step Wall: 2200.6, 0.0031058/step, 3.70435 hours remaining, 234.179688 MB of memory in use. ENERGY: 706200 3974.8627 20460.2426 14376.2585 242.8406 -203084.7533 2945.0238 0.0000 0.0000 51916.9205 -109168.6047 298.3673 -161085.5252 -108810.7494 298.8958 -237.1771 -201.5908 765236.5796 0.2338 0.3276 PRESSURE: 706400 60.7174 -119.865 7.04325 -119.865 147.538 -15.8897 7.04257 -15.8891 132.221 GPRESSURE: 706400 96.943 -53.1192 -5.6578 -116.786 162.352 -63.5738 -96.1318 -104.038 143.355 PRESSAVG: 706400 54.0062 42.7785 23.0321 42.7784 -42.059 20.151 23.0321 20.1509 4.97795 GPRESSAVG: 706400 53.8187 43.6172 22.6508 42.3323 -41.9261 20.5046 20.6757 20.0478 4.1831 TIMING: 706400 CPU: 2201.22, 0.00310571/step Wall: 2201.22, 0.00310571/step, 3.70408 hours remaining, 234.179688 MB of memory in use. ENERGY: 706400 3991.3595 20561.1062 14376.2741 285.2366 -203626.6427 2987.2527 0.0000 0.0000 52324.5597 -109100.8538 300.7100 -161425.4135 -108745.7754 298.6548 113.4923 134.2166 763166.6888 5.6417 5.3586 PRESSURE: 706600 28.8168 -116.101 76.3369 -116.101 -119.172 84.7818 76.3366 84.7832 -523.366 GPRESSURE: 706600 136.82 -14.1457 9.34878 -12.9326 -163.891 87.8033 -30.0682 -28.7125 -510.432 PRESSAVG: 706600 -0.810697 1.95622 -16.6375 1.95627 -14.3347 -37.8885 -16.6374 -37.8885 1.41097 GPRESSAVG: 706600 -0.680994 3.27487 -16.3137 1.84064 -14.4161 -41.3932 -17.2128 -38.658 1.53937 TIMING: 706600 CPU: 2201.84, 0.00309931/step Wall: 2201.84, 0.00309931/step, 3.69628 hours remaining, 234.179688 MB of memory in use. ENERGY: 706600 3941.1998 20574.7309 14406.2321 261.7254 -203065.6382 2758.8310 0.0000 0.0000 52035.0462 -109087.8728 299.0461 -161122.9191 -108709.6763 299.4213 -204.5738 -179.1679 764133.6449 -4.5781 -4.5192 PRESSURE: 706800 -123.757 57.0404 -53.3215 57.0403 -35.644 -230.631 -53.3214 -230.633 -25.455 GPRESSURE: 706800 -24.217 83.2899 -60.2925 41.0736 -57.5741 -291.571 -179.353 -338.134 -28.0381 PRESSAVG: 706800 0.701522 9.9344 -15.9402 9.93435 -27.4664 -25.5404 -15.9402 -25.5404 -1.90383 GPRESSAVG: 706800 0.776168 10.391 -17.1026 9.06221 -27.6243 -23.7754 -13.941 -24.0683 -1.38309 TIMING: 706800 CPU: 2202.46, 0.00311665/step Wall: 2202.46, 0.00311665/step, 3.71678 hours remaining, 234.179688 MB of memory in use. ENERGY: 706800 4033.1339 20404.3368 14436.6585 231.0263 -202668.0743 2528.2619 0.0000 0.0000 52023.7658 -109010.8911 298.9813 -161034.6569 -108641.8001 299.3925 -61.6185 -36.6097 765262.2565 -9.5562 -9.4104 PRESSURE: 707000 -149.263 -0.85268 -272.655 -0.853061 -121.427 268.617 -272.655 268.617 22.3283 GPRESSURE: 707000 32.9431 64.3589 -362.144 10.7576 -198.962 186.789 -34.0235 273.459 -3.84779 PRESSAVG: 707000 -15.3792 20.5038 -22.2251 20.5038 4.81838 -29.3802 -22.2251 -29.3803 -24.2187 GPRESSAVG: 707000 -14.701 19.0444 -22.0351 22.2167 4.90804 -27.562 -23.1644 -32.7398 -24.4075 TIMING: 707000 CPU: 2203.09, 0.00310644/step Wall: 2203.09, 0.00310644/step, 3.70442 hours remaining, 234.179688 MB of memory in use. ENERGY: 707000 3975.6305 20573.1217 14418.1477 253.0978 -203266.2811 3013.2027 0.0000 0.0000 51984.0923 -109048.9883 298.7533 -161033.0806 -108692.1230 298.8852 -82.7874 -56.6222 765430.6175 -11.5932 -11.4001 PRESSURE: 707200 -122.249 -34.3361 180.937 -34.3368 -167.437 -30.7462 180.936 -30.7484 -7.72896 GPRESSURE: 707200 -87.3817 -137.548 239.669 31.1397 -38.1751 -158.172 64.5838 2.68398 -99.5872 PRESSAVG: 707200 51.4404 40.2981 -6.27808 40.2981 -74.0258 19.5023 -6.27804 19.5023 -5.77444 GPRESSAVG: 707200 50.9668 40.4003 -6.08488 38.0747 -73.7241 18.9475 -7.06625 19.5456 -5.76922 TIMING: 707200 CPU: 2203.71, 0.00309784/step Wall: 2203.71, 0.00309784/step, 3.69401 hours remaining, 234.179688 MB of memory in use. ENERGY: 707200 3979.1113 20487.5075 14404.9369 250.6556 -203390.0068 2757.7623 0.0000 0.0000 52305.0076 -109205.0257 300.5976 -161510.0333 -108828.0020 299.1735 -99.1384 -75.0480 764353.5311 -9.4533 -9.5089 PRESSURE: 707400 -89.993 49.2509 81.979 49.2506 -101.714 -100.714 81.9792 -100.713 -229.654 GPRESSURE: 707400 -176.392 139.849 -7.35646 3.58943 24.2313 -139.648 84.3587 -41.8081 -181.319 PRESSAVG: 707400 -23.051 22.8058 -20.5003 22.8058 49.9489 -26.5836 -20.5003 -26.5835 -0.0298426 GPRESSAVG: 707400 -23.9863 21.2043 -20.9872 25.7715 50.3458 -27.4113 -21.6222 -24.8724 0.440977 TIMING: 707400 CPU: 2204.33, 0.0031026/step Wall: 2204.33, 0.0031026/step, 3.69951 hours remaining, 234.179688 MB of memory in use. ENERGY: 707400 4012.8814 20474.1696 14475.1697 250.0926 -203151.4955 2855.4108 0.0000 0.0000 51685.2114 -109398.5600 297.0356 -161083.7714 -109039.4297 298.3608 -140.4534 -111.1596 763695.5766 8.9560 8.9335 PRESSURE: 707600 99.8747 -79.8747 47.8538 -79.8751 -148.905 -113.974 47.854 -113.974 -110.768 GPRESSURE: 707600 97.8713 -245.638 37.1594 -180.127 -38.7175 -55.474 66.398 -163.294 -156.566 PRESSAVG: 707600 -47.2805 -12.8308 -64.4161 -12.8308 36.0037 0.585477 -64.4161 0.585417 -0.243067 GPRESSAVG: 707600 -47.1295 -10.4581 -62.3552 -16.5432 35.6683 1.01068 -63.6364 0.754187 -0.597929 TIMING: 707600 CPU: 2204.95, 0.0031122/step Wall: 2204.95, 0.0031122/step, 3.71078 hours remaining, 234.179688 MB of memory in use. ENERGY: 707600 3886.8805 20428.8319 14452.4119 234.9973 -203037.5293 2483.9155 0.0000 0.0000 52261.0622 -109289.4298 300.3450 -161550.4921 -108916.0358 298.3376 -53.2663 -32.4706 764202.5451 -3.8400 -4.0197 PRESSURE: 707800 -62.1807 -201.482 48.4714 -201.481 24.7885 -15.0436 48.4706 -15.043 68.7918 GPRESSURE: 707800 -68.4908 -71.5531 31.7435 -276.763 55.5691 -11.6965 3.49469 29.8613 116.073 PRESSAVG: 707800 7.58203 -1.91682 -21.7244 -1.91689 10.6637 8.23289 -21.7245 8.23285 6.18296 GPRESSAVG: 707800 7.0253 -1.59132 -22.3278 0.199991 11.0384 8.99548 -22.233 8.91058 6.2324 TIMING: 707800 CPU: 2205.57, 0.00312366/step Wall: 2205.57, 0.00312366/step, 3.72427 hours remaining, 234.179688 MB of memory in use. ENERGY: 707800 3989.1873 20646.8099 14493.4053 240.3849 -203299.5735 2700.5784 0.0000 0.0000 52318.6207 -108910.5870 300.6758 -161229.2077 -108553.6668 299.4216 10.4665 34.3837 763496.9098 8.1429 8.0987 PRESSURE: 708000 -21.705 158.415 17.7587 158.415 112.36 -50.2255 17.7593 -50.224 125.207 GPRESSURE: 708000 2.10958 140.863 -13.7325 177.804 154.613 -18.6408 -66.7073 -86.7144 131.975 PRESSAVG: 708000 27.5619 68.9552 4.10162 68.9552 -10.3132 39.6516 4.10159 39.6516 -17.3997 GPRESSAVG: 708000 28.6624 69.4758 1.83003 67.7361 -10.535 37.4007 6.78272 39.3888 -18.1298 TIMING: 708000 CPU: 2206.2, 0.00314655/step Wall: 2206.2, 0.00314655/step, 3.75139 hours remaining, 234.179688 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: 708000 3997.2134 20615.0182 14338.6370 236.2622 -203502.7402 2925.2466 0.0000 0.0000 52321.9422 -109068.4206 300.6949 -161390.3627 -108704.5939 299.2996 71.9541 96.2325 763751.2760 -0.0503 -0.0008 PRESSURE: 708200 -313.425 148.419 -235.912 148.419 -109.326 47.0034 -235.913 47.0028 -114.993 GPRESSURE: 708200 -277.323 71.1457 -168.26 115.976 -136.859 94.7318 -202.94 114.427 -47.7477 PRESSAVG: 708200 -0.0190569 7.684 -33.5307 7.68401 15.1657 28.1172 -33.5308 28.1172 -10.0613 GPRESSAVG: 708200 -1.24853 4.13716 -32.7319 7.32995 14.7869 29.7649 -33.3696 27.1412 -7.97248 TIMING: 708200 CPU: 2206.83, 0.00312422/step Wall: 2206.83, 0.00312422/step, 3.72459 hours remaining, 234.179688 MB of memory in use. ENERGY: 708200 4034.3804 20641.2624 14402.6551 224.6700 -202620.3210 2192.7033 0.0000 0.0000 52114.4508 -109010.1988 299.5025 -161124.6496 -108646.2064 299.3086 -179.2480 -153.9765 765342.1780 1.6951 1.8553 LDB: ============= START OF LOAD BALANCING ============== 2219.31 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2219.31 LDB: =============== DONE WITH MIGRATION ================ 2219.31 LDB: ============= START OF LOAD BALANCING ============== 2219.62 LDB: Largest compute 6972 load 0.034546 is 17.7% of average load 0.195157 LDB: Average compute 0.004395 is 2.3% of average load 0.195157 LDB: TIME 2219.62 LOAD: AVG 0.195157 MAX 0.216841 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.949 MB LDB: TIME 2219.63 LOAD: AVG 0.195157 MAX 0.216841 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.152 MB LDB: TIME 2219.63 LOAD: AVG 0.195157 MAX 0.216841 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.152 MB LDB: ============== END OF LOAD BALANCING =============== 2219.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2219.63 PRESSURE: 708400 -217.626 62.8538 -202.516 62.8539 -317.39 40.6501 -202.516 40.6506 -281.708 GPRESSURE: 708400 -5.60724 68.2444 -210.814 36.0622 -365.267 1.88977 -100.357 131.952 -354.112 PRESSAVG: 708400 -7.32859 13.0171 7.06514 13.017 12.8807 -18.8932 7.06514 -18.8932 7.07632 GPRESSAVG: 708400 -4.92021 15.7717 6.25273 13.6405 13.0767 -19.7073 6.59857 -17.7706 5.56984 TIMING: 708400 CPU: 2207.47, 0.00319245/step Wall: 2207.47, 0.00319245/step, 3.80576 hours remaining, 233.535156 MB of memory in use. ENERGY: 708400 3998.4220 20681.2507 14409.7104 263.6421 -203294.7364 2802.6830 0.0000 0.0000 52278.9984 -108860.0299 300.4481 -161139.0282 -108488.3532 299.7741 -272.2415 -241.6622 766080.8169 4.2095 4.5754 PRESSURE: 708600 232.041 -16.8441 36.17 -16.8438 24.6367 -190.741 36.1694 -190.741 -21.4179 GPRESSURE: 708600 210.399 -79.8869 -38.6206 23.9996 64.2858 -125.314 13.2264 -121.897 64.8176 PRESSAVG: 708600 -9.50288 0.994567 -34.9042 0.994518 8.2978 -4.20146 -34.9043 -4.20147 -11.6922 GPRESSAVG: 708600 -9.96609 0.389447 -34.5273 3.70729 8.34842 -2.19833 -36.072 -3.44386 -11.1529 TIMING: 708600 CPU: 2208.09, 0.00312396/step Wall: 2208.09, 0.00312396/step, 3.72394 hours remaining, 233.738281 MB of memory in use. ENERGY: 708600 4030.2371 20652.2565 14405.5990 234.4275 -203336.5899 2747.0604 0.0000 0.0000 52369.0827 -108897.9267 300.9658 -161267.0094 -108539.6231 300.0688 78.4198 113.1674 763971.6663 -4.2991 -4.2569 PRESSURE: 708800 -158.574 57.3445 -5.07195 57.3449 -343.093 124.901 -5.07353 124.902 53.274 GPRESSURE: 708800 -149.077 -9.00443 -70.3396 11.0314 -285.534 109.73 -39.9653 96.8985 78.3295 PRESSAVG: 708800 -95.4109 13.3161 -13.5919 13.316 55.8905 -23.2149 -13.5918 -23.2148 -8.31133 GPRESSAVG: 708800 -96.2675 11.6404 -12.9796 10.5836 56.8663 -24.8972 -13.1616 -22.2882 -8.29229 TIMING: 708800 CPU: 2208.72, 0.00312858/step Wall: 2208.72, 0.00312858/step, 3.72927 hours remaining, 233.738281 MB of memory in use. ENERGY: 708800 3952.5277 20551.0999 14527.2891 243.3168 -203227.0022 2889.6703 0.0000 0.0000 52207.7964 -108855.3018 300.0389 -161063.0982 -108496.1615 298.9667 -149.4644 -118.7606 764956.9951 -15.9439 -15.8978 PRESSURE: 709000 140.261 84.2415 -218.742 84.2407 278.408 152.452 -218.742 152.452 187.429 GPRESSURE: 709000 173.59 106.319 -301.469 -34.7806 305.466 163.354 -272.046 -0.572854 218.626 PRESSAVG: 709000 -53.0396 -44.6117 -44.9495 -44.6118 41.1339 -41.0742 -44.9494 -41.0743 3.90387 GPRESSAVG: 709000 -51.7789 -45.4939 -44.6074 -44.2348 40.5341 -42.2009 -43.7483 -43.4013 3.33943 TIMING: 709000 CPU: 2209.34, 0.00312556/step Wall: 2209.34, 0.00312556/step, 3.72549 hours remaining, 233.738281 MB of memory in use. ENERGY: 709000 3990.1428 20633.7468 14391.6001 268.8493 -203559.3736 3160.1605 0.0000 0.0000 52159.4320 -108955.4423 299.7610 -161114.8742 -108600.6450 299.6034 202.0327 232.5605 765125.6792 -2.6673 -2.6351 PRESSURE: 709200 50.7538 53.4367 59.0989 53.4369 93.6378 -11.7492 59.0991 -11.7485 -5.86751 GPRESSURE: 709200 -29.895 90.3805 -24.4065 26.9171 202.474 131.131 41.3334 39.1864 60.802 PRESSAVG: 709200 -19.2687 9.36384 15.9891 9.36386 8.59693 -25.5145 15.9892 -25.5144 -16.8811 GPRESSAVG: 709200 -20.7007 10.8717 15.9545 7.98984 8.85027 -23.4631 15.425 -26.5638 -15.8997 TIMING: 709200 CPU: 2209.96, 0.00309912/step Wall: 2209.96, 0.00309912/step, 3.6938 hours remaining, 233.738281 MB of memory in use. ENERGY: 709200 4042.3920 20607.6276 14546.8444 266.9158 -203349.8957 3015.9516 0.0000 0.0000 52045.3807 -108824.7836 299.1055 -160870.1643 -108463.4041 299.2785 46.1747 77.7936 764691.8184 -9.1843 -9.2500 PRESSURE: 709400 2.48572 241.05 -76.4444 241.049 47.7474 21.8192 -76.4448 21.8185 86.3702 GPRESSURE: 709400 47.9157 309.09 -29.8763 287.771 105.299 24.6243 -68.1463 6.16224 71.5329 PRESSAVG: 709400 9.82454 12.4553 -19.1539 12.4553 24.1465 -47.0193 -19.1539 -47.0193 -2.69213 GPRESSAVG: 709400 9.59544 11.7196 -19.4395 14.2577 23.8133 -48.5315 -20.0271 -45.154 -2.11863 TIMING: 709400 CPU: 2210.58, 0.00310039/step Wall: 2210.58, 0.00310038/step, 3.69514 hours remaining, 233.738281 MB of memory in use. ENERGY: 709400 4016.6433 20584.4263 14469.2032 241.4760 -203164.5527 2839.8334 0.0000 0.0000 52255.2218 -108757.7486 300.3115 -161012.9705 -108394.2259 299.5328 45.5345 74.9157 763861.0031 10.4263 10.4300 PRESSURE: 709600 193.538 -56.2918 -150.908 -56.2924 316.541 25.6381 -150.908 25.638 -41.4853 GPRESSURE: 709600 193.508 -109.936 -105.436 35.6038 364.687 44.0314 -139.953 -13.828 -1.66177 PRESSAVG: 709600 -9.88811 3.57676 18.8869 3.57673 21.7245 -6.50261 18.8869 -6.50267 -10.2666 GPRESSAVG: 709600 -9.07438 1.62638 18.232 5.41891 21.8267 -6.35012 20.6988 -7.10663 -10.7255 TIMING: 709600 CPU: 2211.2, 0.00310622/step Wall: 2211.2, 0.00310622/step, 3.70192 hours remaining, 233.738281 MB of memory in use. ENERGY: 709600 3943.5331 20582.6149 14473.5820 227.4927 -203043.6228 2709.7208 0.0000 0.0000 52205.5416 -108901.1376 300.0260 -161106.6793 -108546.2182 299.8881 156.1978 185.5110 763441.9225 0.5233 0.6756 PRESSURE: 709800 -105.464 107.455 -90.4871 107.455 -44.0365 39.5639 -90.488 39.5642 16.3552 GPRESSURE: 709800 -147.675 131.233 -205.264 219.354 104.241 23.2637 -133.79 96.2879 -19.7494 PRESSAVG: 709800 18.1798 23.138 3.30939 23.1379 -10.4321 26.7409 3.30946 26.7409 -10.2273 GPRESSAVG: 709800 18.3432 26.0289 5.14968 20.697 -10.0754 25.3404 1.65204 29.1552 -11.1383 TIMING: 709800 CPU: 2211.82, 0.00308937/step Wall: 2211.82, 0.00308937/step, 3.68167 hours remaining, 233.738281 MB of memory in use. ENERGY: 709800 3929.3183 20553.5235 14458.7780 228.2927 -203098.7319 2650.4464 0.0000 0.0000 52146.8201 -109131.5529 299.6885 -161278.3730 -108761.8099 299.3481 -44.3817 -21.0613 765760.5587 -0.8265 -0.9569 PRESSURE: 710000 -357.197 1.32353 -187.827 1.32365 -142.521 190.828 -187.827 190.827 -318.639 GPRESSURE: 710000 -288.886 119.69 -219.714 -10.5262 -105.995 164.546 -174.316 184.337 -341.44 PRESSAVG: 710000 -54.2698 18.266 21.0622 18.2659 -24.6134 25.3152 21.0623 25.3152 5.81685 GPRESSAVG: 710000 -54.6686 17.5184 20.1755 20.3114 -24.7376 27.0681 23.2725 23.1025 6.9068 TIMING: 710000 CPU: 2212.45, 0.00312599/step Wall: 2212.45, 0.00312599/step, 3.72514 hours remaining, 233.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 710000 3985.9142 20485.9289 14461.6825 240.7170 -203159.8489 2594.1408 0.0000 0.0000 52293.1214 -109098.3442 300.5293 -161391.4656 -108736.1272 299.3846 -272.7855 -245.4406 764314.1563 -24.3554 -24.1665 PRESSURE: 710200 116.732 127.919 106.2 127.919 247.136 -115.063 106.199 -115.064 310.887 GPRESSURE: 710200 106.268 45.0851 -2.14361 148.678 246.567 -135.644 212.122 -98.7927 377.172 PRESSAVG: 710200 -5.35221 20.1674 28.4796 20.1674 1.65205 -46.7292 28.4796 -46.7291 10.1598 GPRESSAVG: 710200 -5.29768 20.1074 29.4372 17.6912 1.12131 -47.6445 28.5441 -46.8066 10.8908 TIMING: 710200 CPU: 2213.07, 0.00310322/step Wall: 2213.07, 0.00310322/step, 3.69783 hours remaining, 233.738281 MB of memory in use. ENERGY: 710200 3988.7535 20415.7976 14450.6143 261.1962 -203392.7618 2908.6160 0.0000 0.0000 52265.7121 -109102.0722 300.3718 -161367.7842 -108737.3142 299.4405 224.9186 243.3353 761982.9946 2.1532 2.2381 PRESSURE: 710400 -105.369 24.7744 119.132 24.7723 100.832 19.9585 119.133 19.9585 32.7487 GPRESSURE: 710400 -123.5 126.9 11.163 33.4489 190.294 69.4834 222.535 10.926 49.0213 PRESSAVG: 710400 33.9188 46.6233 5.44817 46.6233 -14.5691 14.1594 5.4482 14.1594 11.5723 GPRESSAVG: 710400 33.8136 46.1308 4.42867 50.1316 -13.7134 15.7258 5.94608 15.2929 10.3477 TIMING: 710400 CPU: 2213.69, 0.00310968/step Wall: 2213.69, 0.00310968/step, 3.70536 hours remaining, 233.738281 MB of memory in use. ENERGY: 710400 4004.4406 20602.4879 14470.2636 250.1685 -203249.0217 2746.9456 0.0000 0.0000 51919.4982 -109255.2175 298.3821 -161174.7156 -108901.2740 298.8794 9.4038 38.6052 763777.6471 10.3073 10.1493 PRESSURE: 710600 101.37 85.5962 130.149 85.5946 -245.035 302.867 130.149 302.867 87.5381 GPRESSURE: 710600 104.742 58.2005 109.776 108.322 -285.652 328.711 114.284 78.8026 196.346 PRESSAVG: 710600 57.7891 9.86537 -32.858 9.86544 -14.328 38.6651 -32.858 38.6651 6.64351 GPRESSAVG: 710600 57.7416 11.0384 -33.521 7.04596 -15.6765 38.0896 -35.2647 37.1865 7.96713 TIMING: 710600 CPU: 2214.31, 0.00310841/step Wall: 2214.31, 0.00310841/step, 3.70367 hours remaining, 233.738281 MB of memory in use. ENERGY: 710600 3957.1673 20692.2763 14528.1328 254.3729 -203362.7423 2796.7604 0.0000 0.0000 52241.3391 -108892.6936 300.2317 -161134.0327 -108537.3405 299.2867 -18.7092 5.1454 762702.9406 16.7015 16.6774 PRESSURE: 710800 -128.782 -83.1507 37.0301 -83.1507 -82.9174 -179.866 37.0316 -179.866 210.178 GPRESSURE: 710800 -124.166 30.0448 3.68162 -129.439 -94.8827 -178.209 125.224 -100.16 296.139 PRESSAVG: 710800 33.6046 15.3194 35.4399 15.3194 -11.7262 -25.9189 35.4399 -25.9189 -8.41094 GPRESSAVG: 710800 33.7268 14.5442 35.5291 16.8623 -11.3053 -26.349 37.1313 -25.6431 -9.08957 TIMING: 710800 CPU: 2214.94, 0.0031254/step Wall: 2214.94, 0.0031254/step, 3.72374 hours remaining, 233.738281 MB of memory in use. ENERGY: 710800 3999.6552 20551.6563 14397.2532 234.4915 -203073.9863 2992.4953 0.0000 0.0000 52052.0629 -108846.3720 299.1439 -160898.4349 -108492.3894 299.6015 -0.5073 25.6967 764207.9227 4.4892 4.4440 PRESSURE: 711000 -130.985 -83.4183 -104.814 -83.4169 -91.1006 118.418 -104.815 118.418 204.373 GPRESSURE: 711000 -117.559 -99.2235 -72.8613 -26.4216 -63.555 58.0444 -56.7773 124.214 258.491 PRESSAVG: 711000 17.0609 -7.67493 58.2106 -7.67489 -1.22471 2.95392 58.2106 2.95394 1.72269 GPRESSAVG: 711000 17.0249 -6.66991 57.9762 -8.98802 -1.70977 2.81217 56.4191 3.89383 2.1111 TIMING: 711000 CPU: 2215.56, 0.00310883/step Wall: 2215.56, 0.00310883/step, 3.70383 hours remaining, 233.738281 MB of memory in use. ENERGY: 711000 4049.7943 20509.1041 14386.8469 226.2256 -202743.9397 2571.6925 0.0000 0.0000 52193.6370 -108806.6392 299.9575 -161000.2762 -108438.7290 299.3603 -5.9040 25.7925 764057.9750 5.8530 5.8087 PRESSURE: 711200 115.287 83.5614 279.662 83.5615 -7.42628 -164.814 279.662 -164.814 133.454 GPRESSURE: 711200 178.621 92.1745 246.275 62.5205 8.08069 -188.28 294.262 -124.963 137.167 PRESSAVG: 711200 11.2158 20.0518 7.58046 20.0518 0.449853 7.9517 7.58047 7.95175 0.394811 GPRESSAVG: 711200 11.8754 18.7034 7.69198 19.7872 1.14933 7.59304 8.79221 6.20142 -0.527357 TIMING: 711200 CPU: 2216.18, 0.0030961/step Wall: 2216.18, 0.0030961/step, 3.68848 hours remaining, 233.738281 MB of memory in use. ENERGY: 711200 3990.3844 20567.0022 14451.7452 258.5227 -203093.4779 2977.4975 0.0000 0.0000 52118.4883 -108729.8376 299.5257 -160848.3259 -108363.7104 299.6586 80.4383 107.9562 764585.9292 4.0202 4.1658 PRESSURE: 711400 175.127 150.471 45.0335 150.471 -494.45 39.3611 45.0335 39.3613 83.5322 GPRESSURE: 711400 165.952 12.0941 -43.7515 130.9 -442.79 139.088 -107.653 61.043 91.2169 PRESSAVG: 711400 -9.20494 22.7291 24.5199 22.7291 -2.23954 -15.321 24.5199 -15.3209 15.5016 GPRESSAVG: 711400 -10.3772 22.5861 24.5036 22.5526 -1.47079 -14.0254 21.8264 -11.8336 15.804 TIMING: 711400 CPU: 2216.8, 0.00310757/step Wall: 2216.8, 0.00310757/step, 3.70198 hours remaining, 233.738281 MB of memory in use. ENERGY: 711400 4004.6910 20558.5702 14483.8052 257.6449 -203363.3688 2917.8478 0.0000 0.0000 52155.9440 -108984.8658 299.7409 -161140.8098 -108625.5976 299.7794 -78.5968 -61.8738 764758.9583 1.3524 1.3187 PRESSURE: 711600 29.23 164.397 -69.3623 164.397 -414.548 141.079 -69.3631 141.079 202.895 GPRESSURE: 711600 -11.4695 186.144 -129.487 87.6733 -277.241 190.312 17.5772 42.9638 194.495 PRESSAVG: 711600 43.0635 -2.79915 12.1264 -2.79913 -63.5138 -0.641941 12.1264 -0.641932 19.2895 GPRESSAVG: 711600 42.8852 -1.76407 11.1767 -1.6532 -63.3429 -1.91356 14.1358 -3.84895 19.3114 TIMING: 711600 CPU: 2217.42, 0.00311975/step Wall: 2217.42, 0.00311975/step, 3.71632 hours remaining, 233.738281 MB of memory in use. ENERGY: 711600 3961.0669 20567.9695 14510.8309 245.0718 -203250.4126 2899.5942 0.0000 0.0000 52061.5472 -109004.3321 299.1984 -161065.8793 -108640.1443 299.4281 -60.8078 -31.4052 762408.3830 -0.3870 -0.3821 PRESSURE: 711800 -65.9065 -42.184 -69.1518 -42.1848 7.52614 142.167 -69.1508 142.166 114.506 GPRESSURE: 711800 -5.37292 -65.5502 34.0059 -72.4556 90.2428 97.0416 -91.5689 36.8172 69.2238 PRESSAVG: 711800 -14.6974 11.8383 -63.7939 11.8383 -7.9563 27.5603 -63.7939 27.5603 7.238 GPRESSAVG: 711800 -13.7321 11.901 -61.4972 12.3836 -9.35741 27.793 -64.3101 28.8396 7.36238 TIMING: 711800 CPU: 2218.04, 0.00311025/step Wall: 2218.04, 0.00311025/step, 3.70482 hours remaining, 233.738281 MB of memory in use. ENERGY: 711800 3978.7976 20480.0758 14513.4610 255.6633 -203484.2342 3022.3154 0.0000 0.0000 52190.9719 -109042.9492 299.9422 -161233.9211 -108674.4990 299.2884 18.7084 51.3646 764246.2143 -5.1386 -5.2424 PRESSURE: 712000 2.34783 66.516 246.41 66.5159 171.889 -159.99 246.41 -159.989 -190.143 GPRESSURE: 712000 132.583 30.4909 222.741 69.7642 58.949 -172.578 181.242 -151.799 -137.239 PRESSAVG: 712000 23.5673 45.4038 33.7368 45.4038 2.77081 -10.7495 33.7367 -10.7494 3.50283 GPRESSAVG: 712000 23.7284 45.8539 33.3918 44.0564 3.26515 -10.8154 33.2738 -10.2046 2.85487 TIMING: 712000 CPU: 2218.66, 0.00309934/step Wall: 2218.66, 0.00309934/step, 3.69166 hours remaining, 233.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 712000 3972.9386 20543.7801 14484.9521 240.5584 -203594.5474 2973.8343 0.0000 0.0000 52286.4413 -109092.0425 300.4909 -161378.4838 -108727.1973 299.7429 -5.3019 18.0976 764159.7689 9.9470 9.9495 PRESSURE: 712200 157.697 73.0655 225.763 73.0653 -259.791 185.109 225.764 185.11 -172.131 GPRESSURE: 712200 212.271 27.8767 209.547 17.237 -244.292 179.114 52.8226 192.429 -170.884 PRESSAVG: 712200 45.08 -9.02403 14.6077 -9.02397 -23.1611 17.7312 14.6077 17.7313 -13.825 GPRESSAVG: 712200 44.9853 -9.79838 13.6424 -8.00546 -23.345 19.633 15.7134 17.5951 -13.6969 TIMING: 712200 CPU: 2219.28, 0.00309319/step Wall: 2219.28, 0.0030932/step, 3.68417 hours remaining, 233.738281 MB of memory in use. ENERGY: 712200 3942.5220 20703.0074 14478.0021 224.0857 -203084.8509 2628.8519 0.0000 0.0000 52263.5950 -108844.7867 300.3596 -161108.3817 -108484.3357 300.0975 -91.4083 -67.6349 763975.7133 2.6980 2.6478 LDB: ============= START OF LOAD BALANCING ============== 2231.76 LDB: ============== END OF LOAD BALANCING =============== 2231.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2231.76 LDB: ============= START OF LOAD BALANCING ============== 2232.07 LDB: Largest compute 6972 load 0.030284 is 15.5% of average load 0.194946 LDB: Average compute 0.004399 is 2.3% of average load 0.194946 LDB: TIME 2232.08 LOAD: AVG 0.194946 MAX 0.217899 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.82 MB LDB: TIME 2232.08 LOAD: AVG 0.194946 MAX 0.217899 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.82 MB LDB: TIME 2232.08 LOAD: AVG 0.194946 MAX 0.217509 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.82 MB LDB: ============== END OF LOAD BALANCING =============== 2232.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2232.08 PRESSURE: 712400 626.184 48.1454 -135.088 48.1464 300.195 -55.2502 -135.088 -55.2506 -103.151 GPRESSURE: 712400 651.927 53.9746 -144.801 144.982 332.628 -62.7827 56.5336 -10.8512 -88.1046 PRESSAVG: 712400 34.8245 -20.9687 21.5709 -20.9687 -53.858 11.4316 21.5709 11.4318 -6.14662 GPRESSAVG: 712400 32.9406 -19.9633 21.6686 -24.2986 -53.1458 10.7912 21.538 8.58013 -5.40087 TIMING: 712400 CPU: 2219.92, 0.00317344/step Wall: 2219.92, 0.00317344/step, 3.77957 hours remaining, 234.507812 MB of memory in use. ENERGY: 712400 3926.4754 20593.8156 14446.3731 217.4145 -203337.7658 3215.1059 0.0000 0.0000 52229.4487 -108709.1325 300.1634 -160938.5812 -108338.8462 299.7646 274.4092 298.8169 765080.5673 -8.3934 -8.5353 PRESSURE: 712600 -646.586 -102.848 -2.35531 -102.848 -231.269 -32.2959 -2.35563 -32.296 185.368 GPRESSURE: 712600 -504.344 -266.577 -8.93271 26.2323 -168.084 1.57638 73.5096 92.8499 69.2235 PRESSAVG: 712600 3.8061 23.6825 -5.67915 23.6826 45.4 -2.77666 -5.67919 -2.77663 10.4987 GPRESSAVG: 712600 6.12078 21.7425 -6.38743 28.504 44.4339 -3.52861 -5.30369 0.166695 9.13189 TIMING: 712600 CPU: 2220.54, 0.00310466/step Wall: 2220.54, 0.00310466/step, 3.69748 hours remaining, 234.507812 MB of memory in use. ENERGY: 712600 4051.1170 20710.4785 14441.5268 241.5175 -203143.5142 2872.5788 0.0000 0.0000 52354.6832 -108471.6123 300.8831 -160826.2955 -108107.7565 300.1030 -230.8291 -201.0682 765716.1767 19.9016 19.8955 PRESSURE: 712800 176.197 206.796 -31.6347 206.796 -229.826 123.559 -31.6352 123.559 -20.8273 GPRESSURE: 712800 134.1 93.4699 -31.6954 73.2632 -142.358 221.829 -22.1108 91.8614 -3.68897 PRESSAVG: 712800 63.2833 -37.6937 1.3191 -37.6937 -40.4347 21.5219 1.31912 21.5217 5.24893 GPRESSAVG: 712800 62.8519 -36.2537 2.71196 -39.9774 -40.9584 23.1276 -0.700418 19.6376 6.05067 TIMING: 712800 CPU: 2221.16, 0.00310457/step Wall: 2221.16, 0.00310457/step, 3.6972 hours remaining, 234.507812 MB of memory in use. ENERGY: 712800 3992.5403 20643.5168 14511.9387 254.0119 -202871.9232 2665.2654 0.0000 0.0000 52161.1259 -108643.5243 299.7707 -160804.6502 -108279.7971 300.2298 -24.8189 -3.9824 765451.3875 9.3659 9.3147 PRESSURE: 713000 9.44871 -73.0416 133.006 -73.0413 122.914 -187.323 133.006 -187.321 396.697 GPRESSURE: 713000 1.82983 53.374 220.398 -87.5883 188.711 -106.238 216.423 -380.213 420.701 PRESSAVG: 713000 25.5791 32.4331 -10.4439 32.4331 -8.25879 6.69074 -10.4439 6.69067 1.28828 GPRESSAVG: 713000 25.3547 33.6591 -10.0493 31.6278 -9.17218 5.27977 -9.47695 6.02025 2.23194 TIMING: 713000 CPU: 2221.78, 0.0031152/step Wall: 2221.78, 0.0031152/step, 3.70969 hours remaining, 234.507812 MB of memory in use. ENERGY: 713000 4001.9742 20743.2996 14464.9108 262.2191 -203336.5743 2940.3116 0.0000 0.0000 52044.9759 -108878.8832 299.1032 -160923.8591 -108521.7643 299.9651 176.3534 203.7471 762594.3223 6.2029 6.1381 PRESSURE: 713200 39.8626 136.584 44.702 136.582 -65.0567 -23.1538 44.7012 -23.1526 250.687 GPRESSURE: 713200 42.1922 36.691 -1.09849 169.721 -20.0999 -51.7385 -73.9529 -75.9452 296.948 PRESSAVG: 713200 14.3565 -20.4429 23.4484 -20.4428 7.22032 -26.2393 23.4484 -26.2393 7.13931 GPRESSAVG: 713200 14.3202 -22.131 24.1607 -19.9063 8.50644 -25.9654 22.964 -26.2506 6.24897 TIMING: 713200 CPU: 2222.4, 0.00311327/step Wall: 2222.4, 0.00311327/step, 3.70721 hours remaining, 234.507812 MB of memory in use. ENERGY: 713200 4043.5809 20539.4722 14356.7344 257.4226 -203513.7489 3108.0970 0.0000 0.0000 52049.2398 -109159.2021 299.1277 -161208.4418 -108802.9738 299.4678 75.1642 106.3468 763140.8049 9.5721 9.6919 PRESSURE: 713400 163.611 -85.6466 -126.034 -85.646 -63.7999 -80.1739 -126.034 -80.1721 131.271 GPRESSURE: 713400 164.739 -119.786 -207.606 -82.9033 3.11363 -79.8694 -116.492 22.2215 151.035 PRESSAVG: 713400 27.1827 10.3837 11.9069 10.3837 -42.8924 -0.259601 11.9069 -0.259586 -19.7543 GPRESSAVG: 713400 27.0736 11.058 8.71372 10.2298 -42.7979 0.197616 13.833 0.99513 -19.7848 TIMING: 713400 CPU: 2223.03, 0.00311056/step Wall: 2223.03, 0.00311056/step, 3.70382 hours remaining, 234.507812 MB of memory in use. ENERGY: 713400 4067.2655 20572.3685 14447.5999 242.5202 -203101.6033 2929.3943 0.0000 0.0000 51670.1072 -109172.3476 296.9488 -160842.4548 -108812.0232 299.1881 77.0274 106.2958 765044.7516 -11.8213 -11.8364 PRESSURE: 713600 13.2368 63.9097 131.219 63.9099 33.7066 -99.2778 131.219 -99.2776 457.396 GPRESSURE: 713600 116.7 70.5425 147.568 59.5015 10.6355 -112.393 71.1852 -134.564 447.972 PRESSAVG: 713600 31.2516 -2.44878 -18.418 -2.44871 4.1479 -9.862 -18.4179 -9.86208 -9.91199 GPRESSAVG: 713600 31.5653 -1.38879 -17.2529 -1.63841 3.58724 -10.6318 -20.1179 -9.36878 -9.6645 TIMING: 713600 CPU: 2223.65, 0.00312053/step Wall: 2223.65, 0.00312053/step, 3.71551 hours remaining, 234.507812 MB of memory in use. ENERGY: 713600 4033.3906 20667.6604 14471.2807 264.0685 -203412.2747 2999.2687 0.0000 0.0000 51786.9210 -109189.6848 297.6201 -160976.6058 -108828.7539 299.3699 168.1131 191.7691 762493.7271 8.4958 8.4960 PRESSURE: 713800 -19.5483 -58.1002 123.792 -58.0999 -345.188 98.3476 123.793 98.3484 -236.365 GPRESSURE: 713800 -106.786 34.2646 73.4839 19.7275 -262.902 80.17 219.156 41.6437 -140.913 PRESSAVG: 713800 33.0436 22.56 6.63475 22.56 15.1403 -41.7003 6.63485 -41.7004 21.533 GPRESSAVG: 713800 31.5387 20.5295 7.42497 24.1935 17.2228 -41.5169 4.96071 -41.6859 20.8576 TIMING: 713800 CPU: 2224.27, 0.003113/step Wall: 2224.27, 0.003113/step, 3.70637 hours remaining, 234.507812 MB of memory in use. ENERGY: 713800 4011.4715 20450.7291 14427.5018 231.8258 -203291.0647 2786.3461 0.0000 0.0000 52031.3896 -109351.8007 299.0251 -161383.1903 -108989.2212 298.3336 -200.3671 -170.2003 762501.0595 23.2390 23.2064 PRESSURE: 714000 -84.0647 -24.9511 138.151 -24.9514 -220.31 -57.9512 138.15 -57.9501 -376.168 GPRESSURE: 714000 11.2545 -153.538 138.529 88.8041 -270.607 -21.1383 118.346 -83.959 -329.657 PRESSAVG: 714000 6.59513 -9.9934 -16.7794 -9.99333 -11.2458 54.3884 -16.7795 54.3883 1.55168 GPRESSAVG: 714000 7.8075 -8.96499 -17.995 -11.5084 -12.4394 53.5396 -14.0578 56.08 2.19832 TIMING: 714000 CPU: 2224.9, 0.00311476/step Wall: 2224.9, 0.00311476/step, 3.7083 hours remaining, 234.507812 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: 714000 4002.0522 20327.9751 14435.1829 253.0517 -203003.7248 2724.3354 0.0000 0.0000 52131.1054 -109130.0221 299.5982 -161261.1275 -108761.1982 298.4719 -226.8476 -196.3366 762915.4008 -1.0330 -0.8112 PRESSURE: 714200 -78.4837 19.5361 165.69 19.5356 4.40946 109.646 165.69 109.646 128.245 GPRESSURE: 714200 -6.01994 138.809 175.369 -56.1079 -17.2087 150.152 92.6064 108.995 166.626 PRESSAVG: 714200 -15.8813 -12.1327 47.4951 -12.1327 46.5793 36.9458 47.4951 36.9459 2.0966 GPRESSAVG: 714200 -15.9951 -12.9244 48.8338 -13.5051 46.6412 36.2052 46.8605 37.9904 1.61665 TIMING: 714200 CPU: 2225.52, 0.00310464/step Wall: 2225.52, 0.00310464/step, 3.69607 hours remaining, 234.507812 MB of memory in use. ENERGY: 714200 4038.2181 20581.0616 14418.7884 254.7130 -203221.5295 3044.1990 0.0000 0.0000 52033.2551 -108851.2943 299.0358 -160884.5495 -108481.6769 299.6026 18.0568 47.7990 762674.0999 10.9315 10.7542 PRESSURE: 714400 -297.158 54.2064 -203.074 54.2062 99.2266 -198.968 -203.073 -198.968 72.8676 GPRESSURE: 714400 -205.152 30.7382 -137.236 127.332 66.1052 -199.772 -220.29 -219.865 94.1855 PRESSAVG: 714400 16.4737 20.8412 34.9865 20.8412 -37.2153 10.6904 34.9864 10.6904 2.99996 GPRESSAVG: 714400 16.9074 20.8612 34.6382 22.7669 -37.6541 13.3382 33.7312 9.46968 2.58237 TIMING: 714400 CPU: 2226.14, 0.00310783/step Wall: 2226.14, 0.00310783/step, 3.6997 hours remaining, 234.507812 MB of memory in use. ENERGY: 714400 3948.0224 20612.2947 14446.0968 267.9241 -203067.1463 2732.4935 0.0000 0.0000 52245.6335 -108814.6812 300.2564 -161060.3147 -108439.3102 299.7731 -41.6878 -14.9539 764462.2073 -5.9139 -6.0548 PRESSURE: 714600 341.777 266.15 73.5302 266.149 234.092 131.751 73.5299 131.751 270.379 GPRESSURE: 714600 350.228 227.833 93.5457 263.601 326.407 12.4136 38.5527 152.291 237.759 PRESSAVG: 714600 -28.7668 14.249 7.24762 14.249 38.8391 -39.0682 7.24758 -39.0681 4.47256 GPRESSAVG: 714600 -29.9975 12.6913 6.91214 13.8322 38.827 -41.0458 9.23865 -38.8128 5.77219 TIMING: 714600 CPU: 2226.76, 0.00310957/step Wall: 2226.76, 0.00310957/step, 3.7016 hours remaining, 234.507812 MB of memory in use. ENERGY: 714600 4004.7853 20571.9888 14514.4163 239.9743 -203440.9684 3136.9961 0.0000 0.0000 52142.5887 -108830.2188 299.6642 -160972.8076 -108469.7583 299.8925 282.0827 304.7981 762756.9303 4.8483 4.8672 PRESSURE: 714800 -74.1136 -165.438 147.043 -165.439 -44.9531 297.966 147.042 297.966 -314.562 GPRESSURE: 714800 29.2541 -235.503 166.347 -281.453 -106.318 282.225 38.8646 169.194 -272.346 PRESSAVG: 714800 -43.8626 14.2084 -0.988501 14.2085 44.3758 9.414 -0.988552 9.41411 4.19438 GPRESSAVG: 714800 -44.1055 16.2792 0.1543 14.1297 45.6452 11.0247 -1.87572 8.54196 2.91293 TIMING: 714800 CPU: 2227.38, 0.00311386/step Wall: 2227.38, 0.00311387/step, 3.70654 hours remaining, 234.507812 MB of memory in use. ENERGY: 714800 4043.3872 20513.0477 14424.6000 262.8872 -203349.0073 2918.6619 0.0000 0.0000 52434.9560 -108751.4673 301.3444 -161186.4233 -108391.0136 299.9897 -144.5428 -116.4700 763738.2374 1.5692 1.4842 PRESSURE: 715000 85.8986 92.8616 7.41091 92.862 603.239 -229.647 7.41119 -229.648 -559.403 GPRESSURE: 715000 190.062 95.371 -94.594 9.55278 541.022 -162.156 67.3581 -357.979 -512.02 PRESSAVG: 715000 11.3466 -31.2693 34.7856 -31.2693 -5.63881 -53.53 34.7855 -53.53 25.5713 GPRESSAVG: 715000 11.7315 -30.4708 33.0096 -31.3038 -6.67894 -54.0301 35.0394 -53.0457 26.358 TIMING: 715000 CPU: 2228.01, 0.0031165/step Wall: 2228.01, 0.0031165/step, 3.7095 hours remaining, 234.507812 MB of memory in use. ENERGY: 715000 4046.8607 20643.3716 14390.1899 252.2345 -202938.2190 2603.9131 0.0000 0.0000 52285.1255 -108716.5237 300.4833 -161001.6493 -108347.2641 300.0903 43.2448 73.0211 762849.9543 10.4264 10.4702 PRESSURE: 715200 -222.094 26.4294 -107.361 26.4298 -284.227 -20.7655 -107.362 -20.7651 -21.7461 GPRESSURE: 715200 -234.064 37.7831 -102.686 -6.65967 -197.465 55.1609 -45.3463 -24.2031 -19.3035 PRESSAVG: 715200 -34.6439 54.6523 29.1179 54.6524 29.4601 -43.4695 29.1179 -43.4695 -22.6795 GPRESSAVG: 715200 -34.1212 56.4384 30.1737 53.3405 29.5153 -44.0478 30.0311 -43.5123 -23.3725 TIMING: 715200 CPU: 2228.63, 0.00312475/step Wall: 2228.63, 0.00312475/step, 3.71915 hours remaining, 234.507812 MB of memory in use. ENERGY: 715200 4001.5436 20801.0122 14437.2668 234.8244 -202887.4041 2637.9909 0.0000 0.0000 52064.1950 -108710.5712 299.2136 -160774.7662 -108360.4256 300.0902 -176.0225 -150.2777 764670.5476 -9.2878 -9.3261 PRESSURE: 715400 40.5119 -146.142 121.589 -146.142 226.351 69.558 121.59 69.5594 524.173 GPRESSURE: 715400 145.051 -109.567 99.2817 -157.196 265.331 112.368 139.406 22.1759 485.539 PRESSAVG: 715400 -59.7022 47.4942 -15.2336 47.4942 61.3368 24.9475 -15.2336 24.9476 13.8912 GPRESSAVG: 715400 -59.2644 46.7901 -15.0808 46.3212 62.6754 25.5512 -14.5055 23.1089 12.2471 TIMING: 715400 CPU: 2229.26, 0.00314142/step Wall: 2229.26, 0.00314142/step, 3.73882 hours remaining, 234.507812 MB of memory in use. ENERGY: 715400 4015.2031 20628.0396 14416.5395 257.6852 -202892.4857 2827.0830 0.0000 0.0000 52012.0455 -108735.8898 298.9139 -160747.9353 -108375.1790 300.1130 263.6787 298.6401 764733.3960 5.1753 5.2193 PRESSURE: 715600 -286.173 -77.9479 147.598 -77.949 -294.342 29.3832 147.598 29.3837 89.9841 GPRESSURE: 715600 -241.687 -66.5668 114.161 -79.7888 -250.941 -1.99848 55.4668 -13.6228 101.721 PRESSAVG: 715600 3.08977 -2.7925 25.5234 -2.79254 27.5956 30.9908 25.5234 30.9907 5.68139 GPRESSAVG: 715600 3.46001 -4.12499 25.0933 0.826023 26.1845 30.3786 25.2662 32.7337 6.91391 TIMING: 715600 CPU: 2229.88, 0.00311805/step Wall: 2229.88, 0.00311805/step, 3.71083 hours remaining, 234.507812 MB of memory in use. ENERGY: 715600 4049.7634 20507.6785 14412.0528 232.6321 -203632.3866 3014.4230 0.0000 0.0000 52408.8136 -109007.0232 301.1942 -161415.8368 -108637.0682 300.3582 -163.5105 -130.3021 764185.8290 12.1222 12.1861 PRESSURE: 715800 -3.70884 12.8452 92.9565 12.8445 253.085 62.3889 92.9561 62.3883 180.921 GPRESSURE: 715800 29.8076 85.9323 100.061 115.214 256.068 121.152 53.1455 38.7257 234.153 PRESSAVG: 715800 -52.1977 29.7965 -7.55528 29.7965 15.8689 49.2917 -7.55523 49.2918 -2.72676 GPRESSAVG: 715800 -51.9761 28.764 -7.27735 30.3191 17.4125 50.6105 -8.70025 49.2448 -4.56922 TIMING: 715800 CPU: 2230.51, 0.00311742/step Wall: 2230.51, 0.00311742/step, 3.7099 hours remaining, 234.507812 MB of memory in use. ENERGY: 715800 4031.0639 20524.0598 14397.8226 229.0482 -203292.7997 2984.8524 0.0000 0.0000 52117.0552 -109008.8975 299.5174 -161125.9527 -108647.9700 299.7072 143.4321 173.3429 762735.5146 -13.0185 -13.0443 PRESSURE: 716000 273.857 91.9953 -181.925 91.9951 -232.627 64.4333 -181.925 64.4326 184.109 GPRESSURE: 716000 293.921 156.348 -211.31 -11.6992 -164.703 9.18361 -84.3225 49.9813 186.504 PRESSAVG: 716000 75.309 -33.0377 19.6889 -33.0377 -16.7144 11.1024 19.6889 11.1024 2.75536 GPRESSAVG: 716000 74.5919 -32.3921 19.2064 -35.1828 -17.7179 10.1645 19.4368 10.2682 4.29839 TIMING: 716000 CPU: 2231.13, 0.00311904/step Wall: 2231.13, 0.00311904/step, 3.71166 hours remaining, 234.507812 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: 716000 4038.8004 20536.3420 14383.6845 245.2704 -203271.4054 2817.9982 0.0000 0.0000 52059.8275 -109189.4825 299.1885 -161249.3100 -108835.0697 299.4196 75.1129 105.2407 763345.6424 20.4500 20.3908 PRESSURE: 716200 133.758 -27.5111 -7.92327 -27.5117 -37.2156 -93.6231 -7.92315 -93.6232 413.033 GPRESSURE: 716200 178.497 -30.4122 68.1994 -208.851 13.3856 -159.619 -35.3312 56.9694 402.769 PRESSAVG: 716200 22.568 -8.58516 16.0255 -8.58509 -40.9631 26.0062 16.0255 26.0061 30.0434 GPRESSAVG: 716200 22.5005 -10.0501 15.7647 -7.67192 -40.6232 27.6368 16.56 26.5742 29.5131 TIMING: 716200 CPU: 2231.75, 0.00311278/step Wall: 2231.75, 0.00311278/step, 3.70403 hours remaining, 234.507812 MB of memory in use. ENERGY: 716200 3986.8526 20438.7399 14485.7856 233.9942 -203303.9384 2884.1172 0.0000 0.0000 52046.2116 -109228.2374 299.1103 -161274.4490 -108864.2026 299.2025 169.8582 198.2171 762945.8034 3.8828 3.7968 LDB: ============= START OF LOAD BALANCING ============== 2244.23 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2244.23 LDB: =============== DONE WITH MIGRATION ================ 2244.23 LDB: ============= START OF LOAD BALANCING ============== 2244.55 LDB: Largest compute 6972 load 0.029709 is 15.2% of average load 0.195020 LDB: Average compute 0.004373 is 2.2% of average load 0.195020 LDB: TIME 2244.55 LOAD: AVG 0.19502 MAX 0.215654 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.535 MB LDB: TIME 2244.55 LOAD: AVG 0.19502 MAX 0.215654 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.539 MB LDB: TIME 2244.55 LOAD: AVG 0.19502 MAX 0.215654 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.539 MB LDB: ============== END OF LOAD BALANCING =============== 2244.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2244.56 PRESSURE: 716400 -218.492 35.9029 5.21187 35.9022 112.648 10.7503 5.2124 10.7518 71.7075 GPRESSURE: 716400 -190.631 18.0563 -114.675 125.158 203.165 57.451 32.4212 12.4832 51.7363 PRESSAVG: 716400 37.3532 -8.14132 -35.34 -8.14127 -4.96727 7.34175 -35.34 7.34171 -13.1358 GPRESSAVG: 716400 37.9974 -6.19867 -32.8212 -7.94071 -6.67617 5.97096 -34.98 7.86134 -12.0288 TIMING: 716400 CPU: 2232.39, 0.00318939/step Wall: 2232.39, 0.00318939/step, 3.79502 hours remaining, 233.332031 MB of memory in use. ENERGY: 716400 3955.3779 20478.1345 14494.3133 245.8194 -203014.6371 2723.2007 0.0000 0.0000 51857.5359 -109260.2554 298.0260 -161117.7913 -108894.9872 299.0027 -11.3788 21.4234 763702.3318 6.4167 6.4308 PRESSURE: 716600 27.2615 -30.3933 -60.0899 -30.393 -243.404 108.327 -60.089 108.326 -152.182 GPRESSURE: 716600 68.3988 -31.3926 -58.1028 -72.8048 -269.475 43.9833 -0.0478996 24.5325 -95.6447 PRESSAVG: 716600 17.0175 -9.2821 -19.2664 -9.28214 -35.8083 -20.5233 -19.2663 -20.5234 -16.7094 GPRESSAVG: 716600 15.9197 -9.478 -21.7137 -10.9526 -34.0541 -20.8208 -19.3431 -21.6936 -17.5838 TIMING: 716600 CPU: 2233.01, 0.00310905/step Wall: 2233.01, 0.00310904/step, 3.69925 hours remaining, 233.332031 MB of memory in use. ENERGY: 716600 3962.6203 20563.1282 14466.7997 241.2856 -203278.3169 2805.2162 0.0000 0.0000 51838.0102 -109401.2567 297.9138 -161239.2669 -109046.8426 298.2230 -122.7749 -98.9070 763140.6246 -11.8334 -11.9061 PRESSURE: 716800 139.735 131.956 -30.0486 131.955 37.7815 70.1393 -30.0489 70.1398 274.026 GPRESSURE: 716800 91.2047 137.034 -76.0713 215.548 172.087 93.4198 37.3903 -117.713 269.204 PRESSAVG: 716800 65.1244 -25.4773 -20.544 -25.4772 -31.9037 -2.13083 -20.5439 -2.13091 8.27486 GPRESSAVG: 716800 66.0067 -25.9388 -19.8105 -24.5466 -32.351 -0.940113 -19.7321 -4.06111 7.79933 TIMING: 716800 CPU: 2233.65, 0.00317476/step Wall: 2233.65, 0.00317476/step, 3.77726 hours remaining, 233.332031 MB of memory in use. ENERGY: 716800 3960.4329 20463.0808 14498.7496 250.1957 -203216.8948 2747.4057 0.0000 0.0000 52008.8961 -109288.1339 298.8958 -161297.0301 -108918.9004 298.4540 150.5141 177.4985 762513.6938 13.8319 13.8183 PRESSURE: 717000 149.275 -185.044 59.8761 -185.045 15.511 -115.738 59.8765 -115.738 17.9619 GPRESSURE: 717000 169.559 -103.263 179.259 -267.549 77.1603 -129.476 129.084 -44.7917 42.1182 PRESSAVG: 717000 67.3545 -25.6472 -12.6574 -25.6473 -34.7333 11.831 -12.6574 11.831 10.6966 GPRESSAVG: 717000 66.2718 -24.1147 -12.4579 -24.4796 -33.4866 10.6078 -13.4641 13.8445 10.0696 TIMING: 717000 CPU: 2234.28, 0.00314383/step Wall: 2234.28, 0.00314383/step, 3.74029 hours remaining, 233.332031 MB of memory in use. ENERGY: 717000 3867.9976 20770.7456 14434.0545 250.2020 -203313.9719 2624.6119 0.0000 0.0000 52060.6770 -109305.6833 299.1934 -161366.3603 -108942.1479 298.7682 60.9159 96.2792 760987.2498 14.4393 14.2849 PRESSURE: 717200 -217.706 -18.5508 -33.6367 -18.5517 163.325 57.3629 -33.6357 57.3629 59.1316 GPRESSURE: 717200 -152.476 20.4941 -7.88241 -93.3145 137.486 21.3844 -46.2141 12.0547 102.821 PRESSAVG: 717200 -14.5763 -11.5474 -16.2559 -11.5474 0.711449 42.3557 -16.256 42.3557 3.8446 GPRESSAVG: 717200 -12.4647 -15.2098 -15.9659 -11.0702 -1.71013 43.5102 -17.0988 42.8951 4.57055 TIMING: 717200 CPU: 2234.9, 0.00312417/step Wall: 2234.9, 0.00312417/step, 3.71673 hours remaining, 233.332031 MB of memory in use. ENERGY: 717200 4006.5335 20499.1304 14443.0936 256.3459 -203559.6654 2921.0396 0.0000 0.0000 52098.9429 -109334.5796 299.4133 -161433.5225 -108960.5417 298.9691 1.5836 29.2770 764890.9765 -3.3401 -3.2014 PRESSURE: 717400 -305.689 -113.636 257.03 -113.635 -115.994 53.2682 257.031 53.2674 -461.767 GPRESSURE: 717400 -278.092 -75.9864 256.836 -130.869 -177.366 69.0033 224.88 32.5029 -363.634 PRESSAVG: 717400 17.3332 36.712 -11.6781 36.7119 -4.84723 -20.0399 -11.6781 -20.0399 -12.0029 GPRESSAVG: 717400 16.0815 40.2927 -12.4263 34.6245 -5.54042 -21.7927 -11.0848 -20.6404 -10.5001 TIMING: 717400 CPU: 2235.52, 0.00311544/step Wall: 2235.52, 0.00311544/step, 3.70617 hours remaining, 233.332031 MB of memory in use. ENERGY: 717400 4054.5900 20564.6917 14499.3189 259.6967 -202851.9485 2561.9840 0.0000 0.0000 51864.9872 -109046.6801 298.0688 -160911.6672 -108683.4804 298.5000 -294.4834 -273.0305 764614.2889 0.1610 0.0136 PRESSURE: 717600 -199.771 16.5141 -13.6778 16.5145 -306.843 -225.653 -13.6778 -225.652 -384.799 GPRESSURE: 717600 -181.017 -41.6817 -39.3179 67.0594 -241.76 -229.583 25.3715 -89.7612 -387.173 PRESSAVG: 717600 37.4067 -27.2531 0.673597 -27.2531 -34.7421 -0.336637 0.673628 -0.336571 -6.05174 GPRESSAVG: 717600 38.8093 -27.6311 2.38914 -26.0622 -33.2627 2.29634 0.259408 -0.539911 -8.46726 TIMING: 717600 CPU: 2236.15, 0.00312551/step Wall: 2236.15, 0.00312551/step, 3.71797 hours remaining, 233.332031 MB of memory in use. ENERGY: 717600 3974.5248 20640.2019 14451.5541 251.2812 -202964.0171 2538.5503 0.0000 0.0000 52086.3161 -109021.5886 299.3408 -161107.9047 -108663.1893 299.5420 -297.1378 -269.9835 764366.3090 -1.1290 -0.9735 PRESSURE: 717800 176.734 142.43 -6.10895 142.429 47.7982 210.904 -6.10966 210.904 -168.98 GPRESSURE: 717800 142.775 162.001 39.9274 174.271 60.5457 148.687 -44.9674 221.63 -72.4983 PRESSAVG: 717800 50.6291 28.5212 -28.1235 28.5212 -64.8566 9.6478 -28.1235 9.64778 6.08966 GPRESSAVG: 717800 49.2905 27.2449 -29.1147 27.6705 -63.5835 6.69719 -29.489 10.12 5.99095 TIMING: 717800 CPU: 2236.78, 0.00313482/step Wall: 2236.78, 0.00313482/step, 3.72887 hours remaining, 233.332031 MB of memory in use. ENERGY: 717800 3994.3248 20473.3734 14506.1937 256.3031 -203111.0651 2892.9417 0.0000 0.0000 51931.3110 -109056.6175 298.4500 -160987.9285 -108699.6787 299.4114 18.5173 43.6074 762508.5194 -2.7126 -2.7673 PRESSURE: 718000 270.678 36.3999 -51.2871 36.4006 199.873 50.1356 -51.2861 50.1351 88.7362 GPRESSURE: 718000 339.639 65.1801 -88.7866 -1.56462 156.286 -13.6884 -22.216 138.748 151.417 PRESSAVG: 718000 43.9151 -5.74385 -9.73939 -5.74386 -26.8635 19.067 -9.73944 19.067 -6.36379 GPRESSAVG: 718000 44.7355 -4.98001 -10.0339 -6.33495 -28.8419 21.1484 -7.43063 18.1786 -5.30607 TIMING: 718000 CPU: 2237.4, 0.00312675/step Wall: 2237.4, 0.00312675/step, 3.71909 hours remaining, 233.332031 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: 718000 3974.5445 20558.1497 14514.1078 243.5248 -202903.9280 2717.4235 0.0000 0.0000 52146.7468 -108749.4310 299.6881 -160896.1778 -108394.8060 299.1761 186.4291 215.7808 762929.3112 3.5626 3.5291 PRESSURE: 718200 221.854 75.2991 -151.98 75.2996 -110.084 43.6754 -151.979 43.6753 -4.08777 GPRESSURE: 718200 183.404 135.112 -103.6 -16.7031 -69.939 46.3846 -133.063 18.84 78.1171 PRESSAVG: 718200 67.7473 -0.337587 -10.7609 -0.337571 -20.9509 12.9799 -10.7609 12.98 21.7211 GPRESSAVG: 718200 67.0604 -3.33514 -8.31746 1.98984 -20.0335 11.8925 -13.547 14.6568 21.6203 TIMING: 718200 CPU: 2238.03, 0.00313674/step Wall: 2238.03, 0.00313674/step, 3.73081 hours remaining, 233.332031 MB of memory in use. ENERGY: 718200 4016.0901 20556.3065 14382.6422 252.2044 -202985.4474 2776.9103 0.0000 0.0000 52421.0122 -108580.2817 301.2643 -161001.2939 -108206.5611 300.3739 35.8942 63.8608 765482.8668 22.8392 22.8824 PRESSURE: 718400 -16.4842 -99.8554 -223.802 -99.8554 177.213 0.458456 -223.801 0.458615 269.354 GPRESSURE: 718400 10.528 -113.924 -219.611 -86.3427 79.149 -114.607 -95.2956 -173.791 431.44 PRESSAVG: 718400 -8.73455 -5.12475 -31.0575 -5.12481 40.2453 18.4918 -31.0575 18.4918 -5.27928 GPRESSAVG: 718400 -8.06261 -0.170105 -34.1656 -7.11517 40.4552 18.1261 -26.5174 16.9115 -5.34614 TIMING: 718400 CPU: 2238.65, 0.00311317/step Wall: 2238.65, 0.00311317/step, 3.7026 hours remaining, 233.332031 MB of memory in use. ENERGY: 718400 3986.7435 20697.1779 14524.7860 276.7692 -203287.3487 2995.8202 0.0000 0.0000 52169.0807 -108636.9713 299.8164 -160806.0519 -108290.6600 300.2511 143.3609 173.7058 763322.2245 8.7438 9.0155 PRESSURE: 718600 -322.512 -150.75 141.923 -150.751 90.8124 154.675 141.923 154.674 391.741 GPRESSURE: 718600 -192.097 -101.267 134.467 -258.374 -1.24657 88.0175 56.8441 192.415 438.916 PRESSAVG: 718600 -53.0735 -39.9829 -17.8212 -39.9829 21.7501 -45.873 -17.8212 -45.873 -8.52909 GPRESSAVG: 718600 -53.1896 -42.7027 -17.8714 -40.9111 20.7642 -46.9627 -19.9847 -43.9041 -7.62482 TIMING: 718600 CPU: 2239.27, 0.00310673/step Wall: 2239.27, 0.00310673/step, 3.69476 hours remaining, 233.332031 MB of memory in use. ENERGY: 718600 3969.2046 20580.5633 14487.3281 232.5898 -203506.5448 3142.4234 0.0000 0.0000 52573.5253 -108520.9101 302.1408 -161094.4354 -108160.0069 300.0003 53.3473 81.8572 764130.2428 -13.2842 -13.3501 PRESSURE: 718800 -54.6281 -217.571 -112.707 -217.571 -39.4425 -70.9318 -112.707 -70.9319 -103.197 GPRESSURE: 718800 -118.319 -173.452 -34.5674 -292.505 88.167 11.9431 -149.978 -90.8272 -102.509 PRESSAVG: 718800 -82.1222 -21.3152 5.79485 -21.3152 78.9121 -21.575 5.79481 -21.5749 23.5433 GPRESSAVG: 718800 -82.3613 -20.0477 7.38198 -20.0465 80.092 -19.9985 5.10022 -21.634 22.4741 TIMING: 718800 CPU: 2239.9, 0.00311273/step Wall: 2239.9, 0.00311273/step, 3.70173 hours remaining, 233.332031 MB of memory in use. ENERGY: 718800 3988.7015 20602.4943 14460.0996 254.8143 -202841.6410 2696.6267 0.0000 0.0000 52155.5261 -108683.3785 299.7385 -160838.9046 -108320.1457 299.8134 -65.7560 -44.2205 766509.7631 6.7777 6.7350 PRESSURE: 719000 236.477 88.0537 -128.406 88.0538 -183.277 20.4598 -128.406 20.4597 47.0914 GPRESSURE: 719000 257.373 5.23391 -198.725 98.4865 -108.254 -63.0259 -158.184 51.2713 48.9375 PRESSAVG: 719000 -16.0486 3.38509 4.19055 3.38513 -7.87607 22.3699 4.19057 22.3698 -6.72244 GPRESSAVG: 719000 -15.5717 3.35191 2.65998 4.60265 -7.67832 22.6663 5.95128 20.3917 -7.23582 TIMING: 719000 CPU: 2240.51, 0.00309453/step Wall: 2240.51, 0.00309453/step, 3.67992 hours remaining, 233.332031 MB of memory in use. ENERGY: 719000 4007.5418 20604.2673 14415.4444 250.0671 -203106.1055 2938.6560 0.0000 0.0000 52097.2577 -108792.8712 299.4037 -160890.1289 -108434.2786 299.6128 33.4304 66.0189 765423.7596 -10.2157 -10.1620 PRESSURE: 719200 111.54 126.018 118.932 126.018 23.7271 -84.9182 118.932 -84.9189 -87.14 GPRESSURE: 719200 142.674 -35.178 58.1791 26.2197 156.828 -57.6439 129.356 -117.389 -174.448 PRESSAVG: 719200 -34.2049 -28.7687 -53.4049 -28.7687 73.5071 18.8889 -53.4049 18.889 25.1263 GPRESSAVG: 719200 -35.1954 -28.2966 -52.7898 -30.3514 73.0219 18.5367 -55.7499 20.0829 26.1711 TIMING: 719200 CPU: 2241.14, 0.00310544/step Wall: 2241.14, 0.00310544/step, 3.69271 hours remaining, 233.332031 MB of memory in use. ENERGY: 719200 3990.2711 20708.1796 14512.9357 256.3701 -202928.7298 2736.2260 0.0000 0.0000 52049.4639 -108675.2832 299.1290 -160724.7471 -108314.9123 299.5623 16.0423 41.6845 763596.6536 21.4761 21.3325 PRESSURE: 719400 -41.0648 -37.919 -183.697 -37.9204 151.367 -90.3675 -183.698 -90.3657 -173.854 GPRESSURE: 719400 69.0713 -62.5887 -142.434 -11.7784 138.565 -62.8311 -217.425 14.9877 -184.958 PRESSAVG: 719400 -20.2997 24.3502 -23.8384 24.3502 53.5823 22.6786 -23.8384 22.6787 11.7061 GPRESSAVG: 719400 -18.2967 24.7601 -23.4614 22.6633 53.9678 23.096 -24.0331 21.3257 9.50393 TIMING: 719400 CPU: 2241.76, 0.00312154/step Wall: 2241.76, 0.00312154/step, 3.71169 hours remaining, 233.332031 MB of memory in use. ENERGY: 719400 4011.4058 20432.2517 14508.6824 252.9031 -202545.9276 2543.2810 0.0000 0.0000 52265.5168 -108531.8868 300.3706 -160797.4037 -108165.4986 299.9629 -21.1842 7.5594 765056.5693 14.9962 15.0583 PRESSURE: 719600 -217.054 120.554 -175.461 120.554 12.7632 205.583 -175.462 205.582 142.699 GPRESSURE: 719600 -184.942 35.6494 -231.601 75.2806 32.3167 229.085 -46.8622 42.4825 153.065 PRESSAVG: 719600 -15.6772 -9.30095 12.7407 -9.30096 -4.30485 -42.1785 12.7407 -42.1785 5.76414 GPRESSAVG: 719600 -16.9016 -10.2791 12.3085 -6.51453 -4.33589 -42.3168 15.5449 -39.489 7.36778 TIMING: 719600 CPU: 2242.38, 0.00311937/step Wall: 2242.38, 0.00311937/step, 3.70893 hours remaining, 233.332031 MB of memory in use. ENERGY: 719600 3967.8070 20573.3717 14462.6903 245.2402 -202886.3633 2966.7074 0.0000 0.0000 52077.9577 -108592.5890 299.2927 -160670.5467 -108232.6456 300.4328 -20.5306 0.1468 765043.6702 -4.7393 -4.6232 PRESSURE: 719800 131.744 78.5607 -129.999 78.5605 67.7644 -396.556 -129.999 -396.557 -240.346 GPRESSURE: 719800 194.081 131.016 -167.155 94.6109 10.8976 -399.924 24.4056 -252.202 -152.156 PRESSAVG: 719800 -19.2774 16.5131 37.1119 16.5131 37.7642 -39.3846 37.1119 -39.3846 18.4364 GPRESSAVG: 719800 -17.3268 15.9709 37.5765 15.8599 36.6725 -38.6233 38.6824 -41.4694 17.8527 TIMING: 719800 CPU: 2243.02, 0.00316709/step Wall: 2243.02, 0.00316709/step, 3.76549 hours remaining, 233.332031 MB of memory in use. ENERGY: 719800 4049.9762 20599.5146 14455.4720 237.3465 -202981.7860 2800.9798 0.0000 0.0000 52296.8305 -108541.6664 300.5506 -160838.4969 -108188.1466 300.4601 -13.6126 17.6074 764124.4149 12.3077 12.3995 PRESSURE: 720000 63.2096 -112.022 -155.888 -112.022 -237.113 159.171 -155.889 159.171 -499.187 GPRESSURE: 720000 176.514 -72.4997 -172.192 -121.242 -239.729 160.769 -182.37 311.699 -533.021 PRESSAVG: 720000 24.6662 -47.0605 -16.9251 -47.0605 -28.4905 -6.5647 -16.9252 -6.5647 12.4193 GPRESSAVG: 720000 23.1071 -46.5903 -18.5225 -46.0178 -27.4076 -5.38015 -20.6637 -5.56855 12.9737 TIMING: 720000 CPU: 2243.64, 0.00312307/step Wall: 2243.64, 0.00312307/step, 3.71298 hours remaining, 233.332031 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: 720000 3996.9580 20553.3708 14456.1301 217.2269 -202821.0700 2897.7786 0.0000 0.0000 52126.4999 -108573.1055 299.5717 -160699.6054 -108210.4246 299.7322 -224.3635 -198.7454 767069.5226 2.8650 2.8911 PRESSURE: 720200 85.2852 19.3986 -108.404 19.3982 142.747 15.3579 -108.404 15.3586 67.2829 GPRESSURE: 720200 44.7832 -63.9499 -110.811 -4.20619 163.177 -15.0232 -120.255 29.8041 189.442 PRESSAVG: 720200 24.24 21.948 12.6686 21.948 -34.909 5.13326 12.6686 5.13325 -3.80374 GPRESSAVG: 720200 24.3144 22.3314 12.7372 21.3887 -34.8035 4.16483 15.5084 5.03423 -3.91251 TIMING: 720200 CPU: 2244.27, 0.00311697/step Wall: 2244.27, 0.00311697/step, 3.70555 hours remaining, 233.332031 MB of memory in use. ENERGY: 720200 4086.7762 20499.8092 14455.5287 245.6949 -203570.3715 3167.0217 0.0000 0.0000 52321.9153 -108793.6254 300.6948 -161115.5408 -108428.3249 300.2507 98.4382 132.4674 763972.1698 -4.8243 -4.8006 LDB: ============= START OF LOAD BALANCING ============== 2256.74 LDB: ============== END OF LOAD BALANCING =============== 2256.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2256.75 LDB: ============= START OF LOAD BALANCING ============== 2257.06 LDB: Largest compute 6972 load 0.032242 is 16.5% of average load 0.194969 LDB: Average compute 0.004366 is 2.2% of average load 0.194969 LDB: TIME 2257.06 LOAD: AVG 0.194969 MAX 0.21519 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.105 MB LDB: TIME 2257.06 LOAD: AVG 0.194969 MAX 0.21519 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.109 MB LDB: TIME 2257.06 LOAD: AVG 0.194969 MAX 0.21519 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.109 MB LDB: ============== END OF LOAD BALANCING =============== 2257.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2257.07 PRESSURE: 720400 -111.987 -165.741 -106.842 -165.741 -332.569 84.8285 -106.843 84.8292 -2.89493 GPRESSURE: 720400 -47.0416 -272.911 -144.55 -142.288 -347.885 111.332 -96.0222 -23.5281 17.6141 PRESSAVG: 720400 9.3907 -26.3133 -52.7646 -26.3132 -25.6001 4.48015 -52.7645 4.48026 30.4357 GPRESSAVG: 720400 9.63973 -27.9156 -52.1421 -26.5272 -25.6116 3.78499 -53.9692 5.41522 30.4048 TIMING: 720400 CPU: 2244.9, 0.00317362/step Wall: 2244.9, 0.00317362/step, 3.77273 hours remaining, 234.308594 MB of memory in use. ENERGY: 720400 4023.7210 20801.4215 14423.8810 249.9216 -203297.8640 2857.6601 0.0000 0.0000 52139.8113 -108801.4475 299.6482 -160941.2588 -108445.1469 299.9768 -149.1503 -125.7709 763386.7831 4.7421 4.8109 PRESSURE: 720600 166.408 270.978 59.4952 270.978 350.126 27.684 59.4943 27.6835 -30.6199 GPRESSURE: 720600 203.01 161.021 50.3567 233.084 323.413 114.664 -109.515 37.3482 54.9602 PRESSAVG: 720600 -0.93942 -29.0356 13.248 -29.0356 15.2194 -38.0888 13.248 -38.0889 -17.5452 GPRESSAVG: 720600 -0.916255 -27.0312 14.4817 -28.5267 14.2284 -39.645 13.3182 -37.9461 -16.4507 TIMING: 720600 CPU: 2245.52, 0.00310579/step Wall: 2245.52, 0.00310579/step, 3.69192 hours remaining, 234.308594 MB of memory in use. ENERGY: 720600 4033.7798 20815.8839 14461.9402 242.1792 -202927.5592 2629.7054 0.0000 0.0000 51956.3678 -108787.7029 298.5940 -160744.0707 -108431.8885 300.0535 161.9715 193.7945 762624.8780 -1.0884 -1.0462 PRESSURE: 720800 105.856 -38.4131 154.331 -38.4127 23.6305 106.254 154.331 106.255 87.4188 GPRESSURE: 720800 181.008 -23.1611 124.455 -23.0114 4.56229 144.838 97.9101 109.957 111.307 PRESSAVG: 720800 27.0458 1.33049 79.5046 1.3305 -7.19338 -44.7269 79.5047 -44.7269 6.95304 GPRESSAVG: 720800 27.0007 0.544731 78.171 1.02647 -7.00539 -42.5981 79.563 -47.2937 6.57034 TIMING: 720800 CPU: 2246.15, 0.00312619/step Wall: 2246.15, 0.00312619/step, 3.71599 hours remaining, 234.308594 MB of memory in use. ENERGY: 720800 4020.7719 20543.8081 14442.3660 253.8996 -203546.9013 3040.1035 0.0000 0.0000 52287.8772 -108958.0749 300.4991 -161245.9522 -108596.7416 299.9987 72.3019 98.9592 763035.3706 8.9351 8.8552 PRESSURE: 721000 210.927 52.7083 -5.62529 52.7088 -429.528 -94.7151 -5.62509 -94.7145 18.8396 GPRESSURE: 721000 184.668 148.28 38.6932 -11.2633 -310.334 -41.1818 42.752 -144.656 8.26501 PRESSAVG: 721000 27.6236 -13.1131 30.8064 -13.113 -15.8236 -21.8254 30.8064 -21.8255 21.9829 GPRESSAVG: 721000 28.3005 -11.9137 30.9102 -13.0053 -14.432 -21.2 30.6123 -22.5608 20.6185 TIMING: 721000 CPU: 2246.77, 0.00312048/step Wall: 2246.77, 0.00312048/step, 3.70904 hours remaining, 234.308594 MB of memory in use. ENERGY: 721000 3950.0683 20386.9346 14398.1282 261.3083 -202866.9123 2731.8407 0.0000 0.0000 52182.1372 -108956.4950 299.8915 -161138.6322 -108596.0196 299.5883 -66.5872 -39.1336 764486.7625 11.2610 11.4957 PRESSURE: 721200 29.7477 162.532 133.518 162.532 39.2492 34.888 133.518 34.8881 -250.131 GPRESSURE: 721200 136.537 115.933 190.716 3.22232 45.092 23.8517 95.294 87.0628 -287.553 PRESSAVG: 721200 -13.7025 -42.2453 10.9147 -42.2453 -24.956 -34.4684 10.9148 -34.4685 7.65799 GPRESSAVG: 721200 -15.1158 -43.0991 10.386 -42.5909 -24.1707 -34.936 12.3431 -33.1307 7.97527 TIMING: 721200 CPU: 2247.39, 0.00310649/step Wall: 2247.39, 0.00310649/step, 3.69223 hours remaining, 234.308594 MB of memory in use. ENERGY: 721200 3981.7453 20759.3686 14433.3506 229.3653 -202948.5026 2714.9715 0.0000 0.0000 51909.1984 -108920.5027 298.3229 -160829.7012 -108571.7005 299.4350 -60.3781 -35.3080 764382.2067 -10.3335 -10.4371 PRESSURE: 721400 361.3 -276.866 45.2093 -276.866 137.657 65.6343 45.2093 65.6344 -184.616 GPRESSURE: 721400 316.488 -100.884 8.13752 -211.218 165.673 175.569 52.6729 45.9225 -95.0618 PRESSAVG: 721400 21.9988 5.94595 4.87619 5.94599 -19.2921 26.1966 4.87616 26.1967 24.8514 GPRESSAVG: 721400 22.5628 3.82636 4.75259 7.11364 -20.8428 25.5029 4.53117 27.2154 25.4309 TIMING: 721400 CPU: 2248.02, 0.00311898/step Wall: 2248.02, 0.00311898/step, 3.70691 hours remaining, 234.308594 MB of memory in use. ENERGY: 721400 3969.9864 20535.4981 14506.2130 253.8498 -202865.1891 2735.7861 0.0000 0.0000 51843.1265 -109020.7292 297.9432 -160863.8557 -108676.6382 299.3945 104.7805 129.0331 763300.8086 9.1861 9.0503 PRESSURE: 721600 -342.163 54.2315 -51.6172 54.2315 191.239 149.543 -51.616 149.543 237.125 GPRESSURE: 721600 -152.367 138.94 46.0327 26.7523 230.575 151.013 -46.4205 179.464 84.531 PRESSAVG: 721600 35.2415 -5.54158 69.782 -5.54166 -51.6895 -45.5599 69.7821 -45.56 4.1946 GPRESSAVG: 721600 35.0916 -4.43359 70.8283 -5.86776 -51.7449 -45.6026 67.6807 -45.6495 3.7855 TIMING: 721600 CPU: 2248.64, 0.00311869/step Wall: 2248.64, 0.00311869/step, 3.70639 hours remaining, 234.308594 MB of memory in use. ENERGY: 721600 3975.1404 20495.4295 14453.5947 265.5861 -203129.2247 2967.7555 0.0000 0.0000 52133.6085 -108838.1100 299.6126 -160971.7185 -108480.1335 299.3576 28.7334 54.2463 763084.9801 -4.0844 -4.2893 PRESSURE: 721800 -86.7802 182.097 159.057 182.096 -64.4307 91.3881 159.058 91.3881 -90.9612 GPRESSURE: 721800 -108.732 267.868 73.1892 117.396 -13.02 120.596 115.556 -30.4132 -56.5898 PRESSAVG: 721800 6.67957 -27.5682 -31.7068 -27.5682 2.10403 19.6589 -31.7068 19.659 5.51767 GPRESSAVG: 721800 7.38848 -26.4122 -32.8076 -29.3977 1.15083 20.3077 -31.6726 18.9545 5.27043 TIMING: 721800 CPU: 2249.27, 0.00313145/step Wall: 2249.27, 0.00313145/step, 3.72138 hours remaining, 234.308594 MB of memory in use. ENERGY: 721800 3924.9709 20278.2987 14423.2792 240.2408 -203388.4043 2992.4616 0.0000 0.0000 52365.4560 -109163.6972 300.9450 -161529.1532 -108794.1397 299.2120 -80.7240 -59.4474 763755.4574 4.7671 4.6032 PRESSURE: 722000 298.949 188.794 83.8399 188.795 -98.663 -262.752 83.8388 -262.752 217.579 GPRESSURE: 722000 257.709 257.741 99.4378 139.317 28.2677 -249.612 -24.0093 -229.937 220.525 PRESSAVG: 722000 53.6663 -57.562 28.7864 -57.562 -27.8911 42.7418 28.7864 42.7418 7.52917 GPRESSAVG: 722000 52.7877 -58.2938 29.5204 -56.1326 -27.8927 43.5834 29.3864 42.3841 9.14228 TIMING: 722000 CPU: 2249.89, 0.00314417/step Wall: 2249.89, 0.00314417/step, 3.73632 hours remaining, 234.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 722000 4035.1887 20542.4754 14408.2301 273.4876 -203556.6050 3046.4709 0.0000 0.0000 52087.9798 -109162.7724 299.3503 -161250.7522 -108800.2503 298.6588 139.2884 168.8341 764964.9940 11.1014 11.3458 PRESSURE: 722200 -327.566 57.923 -108.612 57.9232 -552.477 29.2613 -108.613 29.2622 -627.921 GPRESSURE: 722200 -280.235 25.3234 -145.1 51.4014 -587.344 83.9452 7.88314 -67.1873 -548.62 PRESSAVG: 722200 8.14971 -39.5675 55.7317 -39.5675 -28.6148 -64.2802 55.7317 -64.2803 -5.31101 GPRESSAVG: 722200 7.85815 -39.3306 55.5674 -40.2463 -26.7813 -66.2143 56.3002 -62.0469 -7.23577 TIMING: 722200 CPU: 2250.52, 0.0031422/step Wall: 2250.52, 0.0031422/step, 3.7338 hours remaining, 234.308594 MB of memory in use. ENERGY: 722200 4029.4779 20304.9499 14477.1862 226.4028 -202510.0453 2295.1007 0.0000 0.0000 51872.9426 -109303.9852 298.1145 -161176.9277 -108936.6844 298.6262 -502.6545 -472.0663 766813.2400 -8.5920 -8.7197 PRESSURE: 722400 27.6423 139.948 116.13 139.947 263.075 -225.652 116.13 -225.653 -287.92 GPRESSURE: 722400 34.1245 262.277 67.2372 262.718 287.503 -200.501 205.965 -109.815 -234.217 PRESSAVG: 722400 -14.1649 14.3127 52.133 14.3126 18.1118 7.35617 52.133 7.35621 15.9752 GPRESSAVG: 722400 -13.944 14.8533 52.2589 15.4354 17.1009 9.0638 50.7074 4.46579 16.4318 TIMING: 722400 CPU: 2251.15, 0.0031257/step Wall: 2251.15, 0.0031257/step, 3.71402 hours remaining, 234.308594 MB of memory in use. ENERGY: 722400 3985.9509 20464.7530 14357.0462 250.9096 -203084.0331 2839.0780 0.0000 0.0000 51856.4999 -109329.7954 298.0200 -161186.2953 -108977.6401 298.3144 0.9324 29.1368 764884.1240 6.6407 6.5296 PRESSURE: 722600 -380.763 -94.0572 15.6321 -94.0557 -32.0494 29.8025 15.6326 29.8014 -126.948 GPRESSURE: 722600 -363.622 -101.827 30.4435 62.5654 -6.19523 55.3027 123.011 95.1522 -80.2132 PRESSAVG: 722600 -15.5525 -25.9142 57.0348 -25.9142 18.8758 -14.7341 57.0349 -14.7341 10.5372 GPRESSAVG: 722600 -16.1696 -27.5808 56.6641 -25.6822 19.7067 -15.4659 58.929 -13.1154 10.3185 TIMING: 722600 CPU: 2251.77, 0.00310771/step Wall: 2251.77, 0.0031077/step, 3.69247 hours remaining, 234.308594 MB of memory in use. ENERGY: 722600 4030.3193 20309.2393 14425.5830 251.6023 -202858.4414 2629.4459 0.0000 0.0000 51825.1588 -109387.0929 297.8399 -161212.2517 -109022.3061 298.1201 -179.9201 -150.0102 764596.5834 4.6202 4.6185 PRESSURE: 722800 -85.7095 108.16 208.306 108.16 -65.7195 -94.6681 208.306 -94.6683 42.9571 GPRESSURE: 722800 -53.5742 102.577 206.394 -48.0817 -6.0488 -127.198 122.943 -16.8143 23.1272 PRESSAVG: 722800 -5.58959 -29.2091 25.732 -29.2091 49.9302 4.32499 25.732 4.32497 12.6334 GPRESSAVG: 722800 -4.72224 -29.3114 26.4294 -31.0247 49.8521 3.94931 23.9086 5.65881 11.7208 TIMING: 722800 CPU: 2252.39, 0.00310804/step Wall: 2252.39, 0.00310804/step, 3.69269 hours remaining, 234.308594 MB of memory in use. ENERGY: 722800 3952.7448 20518.4181 14519.8035 244.0229 -202993.1216 2691.8667 0.0000 0.0000 51866.1396 -109200.1259 298.0754 -161066.2656 -108846.1679 298.3013 -36.1573 -12.1653 765461.1616 18.9913 18.9502 PRESSURE: 723000 23.1232 50.6091 146.462 50.6093 -382.198 41.3972 146.462 41.3978 -85.6174 GPRESSURE: 723000 105.226 144.889 -16.7877 163.067 -406.677 22.8363 66.5721 174.401 -76.8205 PRESSAVG: 723000 30.9943 39.6934 33.736 39.6934 -38.7732 3.59185 33.736 3.59186 -21.6762 GPRESSAVG: 723000 30.1639 40.6755 31.5766 41.2362 -39.5992 4.14162 33.8177 2.01143 -20.3249 TIMING: 723000 CPU: 2253.01, 0.00311276/step Wall: 2253.01, 0.00311276/step, 3.69813 hours remaining, 234.308594 MB of memory in use. ENERGY: 723000 3977.2511 20577.8916 14527.0025 253.5723 -202997.2152 2617.3179 0.0000 0.0000 51944.8316 -109099.3482 298.5277 -161044.1798 -108734.9253 298.8346 -148.2308 -126.0905 765670.4267 -9.8183 -9.9201 PRESSURE: 723200 -367.4 371.221 18.5832 371.221 -368.666 -218.595 18.5837 -218.595 -154.817 GPRESSURE: 723200 -320.405 279.746 11.76 270.103 -317.236 -183.405 173.982 -154.606 -163.829 PRESSAVG: 723200 1.07288 33.9357 34.6958 33.9358 -61.884 -10.776 34.6958 -10.7759 -11.5236 GPRESSAVG: 723200 1.09766 33.2081 35.89 30.729 -60.7383 -11.7371 36.3037 -9.54643 -11.97 TIMING: 723200 CPU: 2253.63, 0.00309881/step Wall: 2253.63, 0.00309881/step, 3.68138 hours remaining, 234.308594 MB of memory in use. ENERGY: 723200 4017.7497 20569.7099 14511.2227 249.6457 -202731.0850 2591.7253 0.0000 0.0000 51905.1591 -108885.8726 298.2997 -160791.0317 -108513.9683 299.2934 -296.9610 -267.1568 765242.0188 -24.1116 -23.8702 PRESSURE: 723400 28.3244 -32.0444 51.0965 -32.0436 -344.537 0.896627 51.0962 0.896896 -26.406 GPRESSURE: 723400 71.555 100.656 87.3647 18.7892 -298.024 -22.5368 -61.5816 26.3996 -29.5581 PRESSAVG: 723400 -7.95755 -15.1406 -22.7459 -15.1406 30.3822 -9.89622 -22.7458 -9.8963 11.5585 GPRESSAVG: 723400 -7.54676 -15.4045 -23.1915 -13.0044 29.5796 -8.7925 -21.6043 -12.5719 12.3718 TIMING: 723400 CPU: 2254.26, 0.00311462/step Wall: 2254.26, 0.00311462/step, 3.7 hours remaining, 234.308594 MB of memory in use. ENERGY: 723400 3912.3463 20568.2539 14395.9912 241.2037 -203198.6602 2832.5988 0.0000 0.0000 52252.3283 -108995.9380 300.2948 -161248.2663 -108628.0595 299.7009 -114.2061 -85.3423 764843.8451 11.3277 11.4682 PRESSURE: 723600 -20.3854 -106.218 162.274 -106.218 -97.1673 -35.8282 162.274 -35.8276 382.576 GPRESSURE: 723600 43.3852 -124.881 154.801 -90.29 -72.4343 -102.169 150.118 77.2507 401.114 PRESSAVG: 723600 -1.0137 -3.14583 8.19855 -3.14591 6.38917 49.2008 8.19858 49.2009 10.8725 GPRESSAVG: 723600 -0.866834 -2.55455 10.1349 -2.86975 6.98224 48.2621 7.1099 50.6362 10.6039 TIMING: 723600 CPU: 2254.88, 0.00310221/step Wall: 2254.88, 0.00310221/step, 3.68509 hours remaining, 234.308594 MB of memory in use. ENERGY: 723600 4004.6145 20575.1403 14402.8408 242.7654 -203318.2653 3082.1009 0.0000 0.0000 51952.9731 -109057.8303 298.5745 -161010.8034 -108700.1510 298.9550 88.3413 124.0216 763013.1899 5.4160 5.5731 PRESSURE: 723800 230.929 28.525 -172.669 28.5252 82.307 -8.62508 -172.669 -8.62538 128.099 GPRESSURE: 723800 241.096 25.1649 -245.812 46.2033 96.2888 19.6019 -188.946 -162.307 187.976 PRESSAVG: 723800 9.31343 -26.1287 28.0637 -26.1287 -6.39674 4.7878 28.0637 4.78776 17.0989 GPRESSAVG: 723800 9.68309 -26.654 26.9252 -25.4816 -6.67049 5.9282 28.8639 5.93077 16.6121 TIMING: 723800 CPU: 2255.5, 0.00312846/step Wall: 2255.5, 0.00312846/step, 3.71609 hours remaining, 234.308594 MB of memory in use. ENERGY: 723800 3968.2144 20567.6440 14390.8919 244.4868 -203403.4890 3005.0786 0.0000 0.0000 52023.9460 -109203.2274 298.9823 -161227.1734 -108833.9549 299.0865 147.1117 175.1203 763694.4494 6.6719 6.5416 PRESSURE: 724000 138.143 9.17964 320.728 9.17997 4.09396 248.786 320.728 248.785 -13.5221 GPRESSURE: 724000 52.2546 -60.7928 264.592 77.3251 44.4614 280.196 257.094 248.829 100.105 PRESSAVG: 724000 0.603655 -33.9054 27.0046 -33.9054 -21.3852 36.8965 27.0045 36.8964 -0.0240211 GPRESSAVG: 724000 -0.0397376 -34.327 25.7091 -34.719 -22.3513 35.0671 27.2713 38.6446 1.27324 TIMING: 724000 CPU: 2256.13, 0.00311921/step Wall: 2256.13, 0.00311921/step, 3.70493 hours remaining, 234.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 724000 3966.1133 20451.6942 14414.4632 246.0562 -203089.7904 2828.3441 0.0000 0.0000 51961.6293 -109221.4901 298.6242 -161183.1194 -108858.8494 298.9882 42.9051 65.6070 763500.0165 -6.9352 -7.0393 PRESSURE: 724200 150.781 40.6383 21.2611 40.6387 165.95 79.015 21.2611 79.0167 335.816 GPRESSURE: 724200 191.682 107.632 60.7522 -38.2042 257.438 61.1579 -5.00758 68.5791 285.776 PRESSAVG: 724200 -31.2453 -43.8338 40.293 -43.8338 26.0187 69.5974 40.293 69.5975 -8.49295 GPRESSAVG: 724200 -29.1114 -43.7974 41.1803 -43.5554 25.8525 69.2764 37.2942 67.876 -10.3005 TIMING: 724200 CPU: 2256.75, 0.00310518/step Wall: 2256.75, 0.00310518/step, 3.68809 hours remaining, 234.308594 MB of memory in use. ENERGY: 724200 4000.2461 20528.7184 14544.9738 255.9649 -203477.6776 2916.7792 0.0000 0.0000 52013.6578 -109217.3373 298.9232 -161230.9952 -108856.8273 299.0976 217.5159 244.9652 762778.8736 -4.5732 -4.5198 LDB: ============= START OF LOAD BALANCING ============== 2269.22 LDB: ============== END OF LOAD BALANCING =============== 2269.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2269.23 LDB: ============= START OF LOAD BALANCING ============== 2269.54 LDB: Largest compute 6972 load 0.029862 is 15.3% of average load 0.195089 LDB: Average compute 0.004375 is 2.2% of average load 0.195089 LDB: TIME 2269.54 LOAD: AVG 0.195089 MAX 0.216925 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.277 MB LDB: TIME 2269.54 LOAD: AVG 0.195089 MAX 0.216925 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.312 MB LDB: TIME 2269.54 LOAD: AVG 0.195089 MAX 0.216925 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.312 MB LDB: ============== END OF LOAD BALANCING =============== 2269.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2269.55 PRESSURE: 724400 -108.164 -50.1136 -53.4215 -50.114 17.0629 41.0956 -53.4221 41.0946 -145.064 GPRESSURE: 724400 -56.5123 5.66792 -0.537085 -96.0926 77.7964 17.9362 -111.362 33.0199 -159.989 PRESSAVG: 724400 -36.6235 -15.5743 -21.5524 -15.5743 28.0395 6.67666 -21.5524 6.67666 14.3384 GPRESSAVG: 724400 -38.6095 -15.0619 -21.8981 -16.8361 30.277 8.60036 -19.9652 7.02 14.1671 TIMING: 724400 CPU: 2257.38, 0.00316623/step Wall: 2257.38, 0.00316623/step, 3.76042 hours remaining, 235.589844 MB of memory in use. ENERGY: 724400 3950.2597 20355.6724 14520.7691 233.8997 -203101.0147 2611.7296 0.0000 0.0000 52348.4928 -109080.1914 300.8475 -161428.6842 -108715.1239 299.5043 -78.7217 -46.2350 762358.2237 1.9181 1.9449 PRESSURE: 724600 -200.044 -78.9393 84.5396 -78.9398 -233.533 -163.316 84.5397 -163.316 -146.248 GPRESSURE: 724600 -186.642 32.7525 63.0557 -99.6774 -114.308 -107.48 193.273 -95.2935 -197.81 PRESSAVG: 724600 91.0507 -55.8695 49.8148 -55.8695 -51.733 -51.073 49.8148 -51.0731 -12.1756 GPRESSAVG: 724600 91.4873 -52.5947 49.0554 -57.8543 -52.7629 -51.3975 50.5606 -51.2748 -12.1354 TIMING: 724600 CPU: 2258, 0.00311049/step Wall: 2258, 0.00311049/step, 3.69406 hours remaining, 235.589844 MB of memory in use. ENERGY: 724600 3956.6298 20566.7725 14495.4748 230.6727 -202394.8250 2293.8365 0.0000 0.0000 52091.8391 -108759.5996 299.3725 -160851.4387 -108394.5802 299.8690 -193.2750 -166.2537 762964.3963 9.0474 8.8630 PRESSURE: 724800 270.833 180.626 42.7404 180.626 -111.836 52.8205 42.7412 52.8199 203.926 GPRESSURE: 724800 244.415 105.188 -18.6178 189.15 -94.6847 132.037 132.51 77.8002 302.369 PRESSAVG: 724800 -16.7321 8.87741 9.77349 8.8774 -4.80761 -10.2552 9.77352 -10.2551 16.2199 GPRESSAVG: 724800 -16.2802 5.74999 10.2842 11.0151 -5.65769 -9.33387 9.75501 -9.90232 16.8534 TIMING: 724800 CPU: 2258.63, 0.00311884/step Wall: 2258.63, 0.00311884/step, 3.7038 hours remaining, 235.589844 MB of memory in use. ENERGY: 724800 4012.9282 20783.1594 14529.8892 241.4051 -203230.3203 2872.2974 0.0000 0.0000 52068.7181 -108721.9230 299.2396 -160790.6411 -108363.9476 299.9449 120.9739 150.6999 763089.7201 -1.7733 -1.6949 PRESSURE: 725000 -16.802 -307.513 -31.1659 -307.513 -281.666 -89.0448 -31.1666 -89.0451 0.587155 GPRESSURE: 725000 20.3417 -347.29 -44.7207 -252.221 -201.42 -24.5996 -161.576 -144.692 -37.8536 PRESSAVG: 725000 -2.67665 -40.6181 9.23023 -40.6181 0.956925 -22.041 9.23025 -22.041 2.20756 GPRESSAVG: 725000 -3.592 -41.4113 10.1358 -39.2989 2.09457 -22.6507 7.64958 -21.2717 2.3092 TIMING: 725000 CPU: 2259.25, 0.0031158/step Wall: 2259.25, 0.0031158/step, 3.70001 hours remaining, 235.589844 MB of memory in use. ENERGY: 725000 4001.3233 20563.8466 14408.5262 249.1847 -202746.8820 2769.9596 0.0000 0.0000 52138.9963 -108615.0453 299.6435 -160754.0416 -108243.1851 300.0883 -99.2936 -72.9774 763723.7887 0.1626 0.2706 PRESSURE: 725200 -178.486 14.7036 -11.3536 14.7039 -651.937 134.45 -11.354 134.449 -145.606 GPRESSURE: 725200 -194.738 -63.2491 -90.0064 19.895 -533.137 82.4461 29.893 78.7202 -163.497 PRESSAVG: 725200 12.0015 -23.2204 25.8443 -23.2204 -2.39275 7.32987 25.8443 7.32991 11.3111 GPRESSAVG: 725200 12.8901 -22.863 24.0562 -24.4193 -3.35227 6.64358 27.3951 5.07684 11.6429 TIMING: 725200 CPU: 2259.87, 0.00311683/step Wall: 2259.87, 0.00311683/step, 3.70106 hours remaining, 235.589844 MB of memory in use. ENERGY: 725200 3993.9664 20601.8294 14434.1369 229.5210 -202975.4968 2554.2403 0.0000 0.0000 52216.2071 -108945.5955 300.0873 -161161.8027 -108584.6876 299.8466 -325.3431 -297.1239 763177.3664 6.9733 7.0602 PRESSURE: 725400 -182.329 49.7002 137.684 49.7013 102.504 -85.0373 137.684 -85.0374 -320.468 GPRESSURE: 725400 -175.837 60.1755 168.889 40.4064 117.187 32.7465 43.9989 35.4703 -257.704 PRESSAVG: 725400 -16.0065 18.1043 9.07169 18.1043 -51.1785 -38.4985 9.0717 -38.4985 -0.362689 GPRESSAVG: 725400 -16.0877 19.1186 11.6876 17.8879 -50.4663 -37.8114 8.25108 -37.3154 -0.89422 TIMING: 725400 CPU: 2260.5, 0.00312541/step Wall: 2260.5, 0.00312541/step, 3.71108 hours remaining, 235.589844 MB of memory in use. ENERGY: 725400 4017.4499 20661.2208 14467.4394 258.0595 -203181.7481 2864.4047 0.0000 0.0000 51944.3197 -108968.8542 298.5247 -160913.1739 -108615.4357 299.4961 -133.4313 -105.4515 763652.3213 -22.5159 -22.4827 PRESSURE: 725600 -47.802 -53.5635 162.994 -53.5634 -314.043 -57.8789 162.994 -57.8794 -231.547 GPRESSURE: 725600 -37.2735 -66.0505 178.598 48.0034 -259.005 46.9463 27.4174 -51.19 -218.361 PRESSAVG: 725600 13.5429 -66.8156 36.5685 -66.8157 8.26546 -15.6683 36.5686 -15.6682 -10.9596 GPRESSAVG: 725600 13.8964 -67.8049 35.693 -66.3326 8.32022 -15.1717 35.5786 -14.9927 -11.6268 TIMING: 725600 CPU: 2261.12, 0.003122/step Wall: 2261.12, 0.003122/step, 3.70685 hours remaining, 235.589844 MB of memory in use. ENERGY: 725600 4013.4172 20525.0182 14404.0896 243.6898 -203337.2606 2900.4212 0.0000 0.0000 52166.5931 -109084.0315 299.8021 -161250.6246 -108720.6604 299.4635 -197.7971 -171.5465 763449.1596 3.6162 3.5299 PRESSURE: 725800 -235.375 -68.0778 -28.4486 -68.0783 -45.2697 -101.561 -28.4486 -101.56 -118.474 GPRESSURE: 725800 -145.971 -168.543 71.912 -276.502 -39.5679 -75.8293 18.1132 -100.915 -147.499 PRESSAVG: 725800 24.1771 -22.1951 13.0264 -22.1951 -40.4036 -48.6115 13.0264 -48.6115 19.1431 GPRESSAVG: 725800 23.488 -22.8084 13.7001 -22.4332 -40.6592 -49.311 12.6482 -50.0863 20.2231 TIMING: 725800 CPU: 2261.75, 0.00312113/step Wall: 2261.75, 0.00312113/step, 3.70565 hours remaining, 235.589844 MB of memory in use. ENERGY: 725800 4030.0407 20585.5310 14365.1967 250.3120 -203312.7700 2808.0248 0.0000 0.0000 51871.3546 -109402.3103 298.1054 -161273.6649 -109044.5364 298.7122 -133.0396 -111.0126 763141.6797 0.9722 1.0173 PRESSURE: 726000 -59.2742 -384.202 25.2141 -384.202 -3.23798 112.095 25.2144 112.094 -316.579 GPRESSURE: 726000 -48.9431 -342.443 25.5405 -403.777 -45.9999 151.767 23.2403 -8.0364 -208.275 PRESSAVG: 726000 17.9393 -67.0067 50.4547 -67.0067 -11.2591 -61.3621 50.4548 -61.3622 41.3035 GPRESSAVG: 726000 17.9526 -66.0533 50.4294 -67.297 -13.3572 -63.0085 50.8029 -59.4683 43.2793 TIMING: 726000 CPU: 2262.37, 0.00312315/step Wall: 2262.37, 0.00312315/step, 3.70787 hours remaining, 235.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 726000 3965.3620 20495.6370 14381.6260 227.1335 -203020.6654 2939.3379 0.0000 0.0000 51718.3006 -109293.2684 297.2258 -161011.5690 -108928.2102 298.0471 -126.3637 -101.0725 765485.1792 15.9946 15.9582 PRESSURE: 726200 -273.73 -43.5059 226.187 -43.5052 222.283 175.848 226.187 175.849 29.7945 GPRESSURE: 726200 -167.001 -97.6867 167.986 -58.9713 205.049 273.11 170.938 114.563 22.6798 PRESSAVG: 726200 -6.84373 -54.6245 88.1315 -54.6245 24.646 -35.6554 88.1315 -35.6553 0.107839 GPRESSAVG: 726200 -6.48256 -55.4574 86.4862 -54.0914 25.2989 -33.0478 89.5218 -37.2163 -1.62575 TIMING: 726200 CPU: 2262.99, 0.00311197/step Wall: 2262.99, 0.00311197/step, 3.69443 hours remaining, 235.589844 MB of memory in use. ENERGY: 726200 3996.4230 20465.7385 14345.2960 237.9182 -203475.7993 2956.1702 0.0000 0.0000 52034.2127 -109440.0407 299.0413 -161474.2534 -109080.5329 298.2337 -7.2175 20.2425 762836.9775 5.9700 5.7302 PRESSURE: 726400 211.461 -55.3121 189.846 -55.3129 -1.85815 107.445 189.846 107.444 163.392 GPRESSURE: 726400 179.302 3.09099 161.995 -68.4194 134.478 110.468 94.4641 50.6772 154.497 PRESSAVG: 726400 -18.2015 28.6509 68.3349 28.6509 -5.46192 81.719 68.335 81.7189 18.7208 GPRESSAVG: 726400 -18.5925 30.59 68.1045 27.0672 -4.62522 80.5417 66.5524 81.2331 18.4284 TIMING: 726400 CPU: 2263.62, 0.00310552/step Wall: 2263.62, 0.00310552/step, 3.6866 hours remaining, 235.589844 MB of memory in use. ENERGY: 726400 3961.0584 20531.9666 14322.4715 255.0897 -203395.7975 2952.4330 0.0000 0.0000 51879.8675 -109492.9108 298.1543 -161372.7784 -109126.0789 298.2311 124.3317 156.0924 763760.3255 -1.6476 -1.5964 PRESSURE: 726600 -17.3836 -98.529 9.69187 -98.5286 -523.262 99.5139 9.69172 99.5135 -356.531 GPRESSURE: 726600 -38.9327 -18.8138 -2.32739 -128.674 -447.053 116.597 -65.3947 163.914 -342.713 PRESSAVG: 726600 2.95539 -2.25721 1.30441 -2.25718 4.12223 53.5007 1.30438 53.5008 21.8589 GPRESSAVG: 726600 2.79371 -4.78578 2.33957 -0.968603 5.20941 53.0244 1.86453 55.6334 21.0402 TIMING: 726600 CPU: 2264.24, 0.00311739/step Wall: 2264.24, 0.00311739/step, 3.70051 hours remaining, 235.589844 MB of memory in use. ENERGY: 726600 4044.1968 20587.9124 14464.0800 246.3943 -203311.2099 2744.4565 0.0000 0.0000 51742.6455 -109481.5245 297.3657 -161224.1700 -109123.6676 298.4114 -299.0588 -276.2330 764940.7688 9.6455 9.6811 PRESSURE: 726800 -297.444 -16.1766 -16.3192 -16.1764 213.595 34.3954 -16.3191 34.3949 -29.0218 GPRESSURE: 726800 -240.908 107.998 -25.5781 60.5844 164 114.821 92.677 76.1114 56.4653 PRESSAVG: 726800 30.9498 5.70239 44.6872 5.70236 -13.8705 0.800556 44.6873 0.800521 -19.6268 GPRESSAVG: 726800 32.0311 7.64492 45.7314 6.04666 -15.2023 0.611458 45.0804 1.36656 -19.1039 TIMING: 726800 CPU: 2264.86, 0.00312336/step Wall: 2264.86, 0.00312336/step, 3.70743 hours remaining, 235.589844 MB of memory in use. ENERGY: 726800 4018.1921 20667.3439 14407.3781 246.2136 -203609.1027 2816.6593 0.0000 0.0000 51965.7688 -109487.5469 298.6480 -161453.3158 -109126.2924 298.4036 -37.6238 -6.8142 762476.5110 -0.8492 -0.7584 PRESSURE: 727000 95.8337 -76.912 -137.631 -76.9118 -357.679 258.542 -137.631 258.542 -366.016 GPRESSURE: 727000 85.9735 15.4972 -131.114 -98.6382 -309.879 211.652 -108.378 193.637 -329.259 PRESSAVG: 727000 -48.9622 -25.4269 35.5483 -25.4269 39.0991 3.92098 35.5482 3.92088 1.45566 GPRESSAVG: 727000 -49.4024 -26.7376 32.83 -25.5238 39.8944 4.62751 37.9916 1.65488 1.12025 TIMING: 727000 CPU: 2265.49, 0.00312379/step Wall: 2265.49, 0.00312379/step, 3.70776 hours remaining, 235.589844 MB of memory in use. ENERGY: 727000 4049.7700 20545.3530 14417.6225 242.3360 -203681.3891 2988.3836 0.0000 0.0000 52018.3503 -109419.5737 298.9502 -161437.9240 -109061.3910 298.3695 -209.2870 -184.3880 762154.3485 -2.8025 -2.7959 PRESSURE: 727200 0.736017 -74.9806 367.044 -74.9806 -116.179 -107.263 367.044 -107.262 -198.722 GPRESSURE: 727200 9.7701 24.4256 317.761 -44.3172 -81.346 -40.9266 326.844 -141.853 -151.423 PRESSAVG: 727200 3.9698 21.3661 -17.0771 21.366 -42.1882 8.25373 -17.0771 8.25379 10.7328 GPRESSAVG: 727200 3.15941 21.8946 -15.5097 20.8132 -41.9031 8.97051 -18.6661 7.20751 11.519 TIMING: 727200 CPU: 2266.11, 0.00312191/step Wall: 2266.11, 0.00312191/step, 3.70536 hours remaining, 235.589844 MB of memory in use. ENERGY: 727200 3973.8072 20559.9150 14386.8475 248.0805 -203483.7649 2985.2073 0.0000 0.0000 51754.9170 -109574.9904 297.4362 -161329.9074 -109210.0252 298.6151 -104.7218 -74.3328 764125.7141 -9.1618 -9.0749 PRESSURE: 727400 -46.8392 -26.7822 -20.4451 -26.7825 178.913 -25.9333 -20.4449 -25.9331 155.671 GPRESSURE: 727400 -77.9067 -76.6583 -41.2704 -74.9979 193.701 -56.2317 -49.2131 -70.6796 263.194 PRESSAVG: 727400 -24.366 0.686847 53.7779 0.686818 16.9483 18.9273 53.7779 18.9273 6.64856 GPRESSAVG: 727400 -24.0208 1.17872 53.6623 -0.915777 15.9008 16.9337 51.4875 19.8341 7.55497 TIMING: 727400 CPU: 2266.74, 0.00312781/step Wall: 2266.74, 0.00312781/step, 3.71219 hours remaining, 235.589844 MB of memory in use. ENERGY: 727400 4034.8668 20560.2349 14407.0785 241.7104 -203193.1196 2652.2777 0.0000 0.0000 51693.7572 -109603.1940 297.0847 -161296.9512 -109253.1254 298.2683 95.9148 126.3294 762366.2571 -0.2564 -0.1883 PRESSURE: 727600 115.018 207.336 -218.711 207.336 209.267 -102.673 -218.711 -102.672 -6.71576 GPRESSURE: 727600 217.779 149.228 -248.298 141.609 253.428 -109.044 -132.984 -108.29 -78.7746 PRESSAVG: 727600 18.8427 44.5308 -21.8632 44.5308 -1.54379 -45.5192 -21.8632 -45.5191 -4.51701 GPRESSAVG: 727600 18.5621 45.0371 -21.2965 45.8724 -0.739871 -47.5842 -19.7232 -43.9588 -5.4168 TIMING: 727600 CPU: 2267.36, 0.00311953/step Wall: 2267.36, 0.00311953/step, 3.70219 hours remaining, 235.589844 MB of memory in use. ENERGY: 727600 3888.1082 20598.2623 14439.4023 261.4638 -203446.4771 2980.0944 0.0000 0.0000 51732.8067 -109546.3395 297.3092 -161279.1462 -109181.7251 298.1386 105.8565 130.8110 762812.1424 4.2606 4.1351 PRESSURE: 727800 -157.589 117.996 109.88 117.996 31.3682 100.899 109.88 100.898 63.0732 GPRESSURE: 727800 -212.663 -30.6201 129.471 148.946 77.3629 180.726 -14.4601 149.462 141.304 PRESSAVG: 727800 -12.6237 23.2009 -6.99106 23.201 27.9487 5.58363 -6.99107 5.58369 -2.49646 GPRESSAVG: 727800 -12.1639 23.1776 -8.40067 22.605 27.7246 8.08931 -7.0672 3.74617 -2.20181 TIMING: 727800 CPU: 2267.99, 0.00312405/step Wall: 2267.99, 0.00312405/step, 3.70738 hours remaining, 235.589844 MB of memory in use. ENERGY: 727800 4035.3148 20493.9206 14347.8240 221.6001 -203445.9690 2895.1266 0.0000 0.0000 52155.5436 -109296.6393 299.7386 -161452.1829 -108927.5799 298.7980 -21.0491 2.0013 763521.2385 4.2762 4.4530 PRESSURE: 728000 -167.768 139.716 211.666 139.716 -114.305 -171.402 211.666 -171.402 -332.28 GPRESSURE: 728000 -52.0477 66.132 259.216 151.519 -134.561 -72.0872 257.676 -106.072 -338.832 PRESSAVG: 728000 -20.4405 -6.86161 1.47422 -6.86157 8.39738 -34.0459 1.47417 -34.0459 -15.9928 GPRESSAVG: 728000 -21.4179 -8.50657 1.49281 -5.79817 8.34599 -32.2894 1.45506 -33.1468 -14.3187 TIMING: 728000 CPU: 2268.61, 0.00313195/step Wall: 2268.61, 0.00313195/step, 3.71658 hours remaining, 235.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 728000 3975.1154 20633.1544 14351.7638 236.2873 -202788.5114 2323.0999 0.0000 0.0000 52069.8781 -109199.2126 299.2463 -161269.0907 -108834.5260 299.0229 -204.7843 -175.1470 763311.5219 -9.3453 -9.1302 PRESSURE: 728200 91.5557 84.4721 -143.651 84.4715 36.9724 346.655 -143.651 346.655 -24.632 GPRESSURE: 728200 143.437 87.7321 -57.2778 54.1686 49.7711 193.809 -78.9718 266.034 15.6914 PRESSAVG: 728200 18.6494 9.36355 51.5363 9.36349 -45.7181 21.6344 51.5362 21.6344 20.8978 GPRESSAVG: 728200 19.7466 10.9743 54.2072 8.60257 -45.2919 20.1735 50.3351 22.3425 19.7383 TIMING: 728200 CPU: 2269.24, 0.00312011/step Wall: 2269.24, 0.00312011/step, 3.70235 hours remaining, 235.589844 MB of memory in use. ENERGY: 728200 3987.3062 20500.9171 14356.1059 241.4424 -203476.1257 2917.9594 0.0000 0.0000 52245.2546 -109227.1401 300.2542 -161472.3947 -108859.6588 299.0198 34.6320 69.6332 760481.2088 -2.0570 -1.9356 LDB: ============= START OF LOAD BALANCING ============== 2281.72 LDB: ============== END OF LOAD BALANCING =============== 2281.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2281.72 LDB: ============= START OF LOAD BALANCING ============== 2282.03 LDB: Largest compute 6972 load 0.030089 is 15.4% of average load 0.195005 LDB: Average compute 0.004368 is 2.2% of average load 0.195005 LDB: TIME 2282.04 LOAD: AVG 0.195005 MAX 0.217076 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.535 MB LDB: TIME 2282.04 LOAD: AVG 0.195005 MAX 0.217076 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.738 MB LDB: TIME 2282.04 LOAD: AVG 0.195005 MAX 0.217076 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.738 MB LDB: ============== END OF LOAD BALANCING =============== 2282.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2282.04 PRESSURE: 728400 -120.4 92.7675 10.2831 92.7674 175.541 41.9673 10.2829 41.9671 12.2351 GPRESSURE: 728400 -14.2951 85.3235 -37.9843 69.6273 123.343 -73.2497 -18.2105 117.313 53.1527 PRESSAVG: 728400 24.159 -30.337 67.1618 -30.337 -9.73416 23.6424 67.1618 23.6424 9.73771 GPRESSAVG: 728400 24.4861 -32.0911 64.8833 -28.1805 -8.24134 23.7135 68.5132 21.5972 8.79189 TIMING: 728400 CPU: 2269.88, 0.00319962/step Wall: 2269.88, 0.00319962/step, 3.79652 hours remaining, 235.078125 MB of memory in use. ENERGY: 728400 3941.1425 20597.6770 14376.7743 239.0587 -203138.9821 2800.1970 0.0000 0.0000 51967.7462 -109216.3863 298.6594 -161184.1326 -108852.3484 298.9232 22.4587 54.0669 762271.4718 8.0542 8.3456 PRESSURE: 728600 304.55 39.6969 162.415 39.6968 1.81895 -107.645 162.415 -107.644 84.3657 GPRESSURE: 728600 397.599 78.2234 193.989 68.8878 37.825 -184.09 77.4323 -75.5423 28.2474 PRESSAVG: 728600 33.9604 -27.5559 38.5281 -27.5559 -20.6234 -17.9452 38.5282 -17.9452 -9.33131 GPRESSAVG: 728600 34.1791 -27.2764 39.1579 -28.1374 -21.5333 -19.3308 38.6155 -15.2156 -9.03497 TIMING: 728600 CPU: 2270.5, 0.00313275/step Wall: 2270.5, 0.00313275/step, 3.71701 hours remaining, 235.078125 MB of memory in use. ENERGY: 728600 3980.2732 20451.4280 14422.9917 242.9323 -203641.6533 2887.3439 0.0000 0.0000 52166.2528 -109490.4314 299.8002 -161656.6842 -109117.8876 298.6640 130.2449 154.5571 760237.4932 1.3352 1.2036 PRESSURE: 728800 125.483 -258.59 137.513 -258.59 123.162 -55.6176 137.514 -55.6181 133.267 GPRESSURE: 728800 123.353 -168.979 75.4194 -292.549 159.5 -38.5156 110.858 77.2072 166.068 PRESSAVG: 728800 7.35366 -9.53916 -7.37288 -9.53918 10.61 14.5583 -7.3729 14.5582 -19.8034 GPRESSAVG: 728800 6.44705 -7.58563 -8.57756 -11.3239 10.7199 16.6566 -7.82606 12.7589 -19.2444 TIMING: 728800 CPU: 2271.13, 0.00311897/step Wall: 2271.13, 0.00311897/step, 3.70048 hours remaining, 235.078125 MB of memory in use. ENERGY: 728800 3978.8191 20502.8820 14366.4702 240.7391 -203375.5506 2796.4100 0.0000 0.0000 52125.6695 -109364.5608 299.5669 -161490.2303 -109006.4989 298.3701 127.3040 149.6405 762596.6444 -0.6133 -0.6925 PRESSURE: 729000 -132.325 -120.674 -54.5314 -120.674 24.77 175.741 -54.5309 175.74 432.607 GPRESSURE: 729000 57.8584 -126.319 -39.8829 5.22659 -38.0911 229.75 -88.9791 195.654 370.103 PRESSAVG: 729000 -49.6442 48.0648 13.8337 48.0648 17.5977 -26.2922 13.8337 -26.2922 -6.06713 GPRESSAVG: 729000 -48.5366 47.6572 13.1725 49.3229 17.44 -27.9509 13.3069 -27.5385 -6.93914 TIMING: 729000 CPU: 2271.75, 0.00311944/step Wall: 2271.75, 0.00311944/step, 3.70087 hours remaining, 235.078125 MB of memory in use. ENERGY: 729000 3926.1958 20637.5669 14489.5465 256.7468 -203031.3561 2612.5183 0.0000 0.0000 51885.7354 -109223.0464 298.1880 -161108.7818 -108867.3444 298.2547 108.3507 129.9569 761674.3815 -12.7046 -12.6786 PRESSURE: 729200 195.006 -180.633 -60.3098 -180.633 12.9325 -339.32 -60.3093 -339.32 -71.1617 GPRESSURE: 729200 191.218 -109.615 -37.359 -242.623 50.3269 -386.975 -93.0134 -236.158 1.47728 PRESSAVG: 729200 33.427 -18.7088 36.3907 -18.7088 29.692 47.0844 36.3907 47.0844 16.0633 GPRESSAVG: 729200 33.6034 -19.4646 37.1675 -20.4383 30.0041 48.979 37.1764 46.9184 16.1099 TIMING: 729200 CPU: 2272.38, 0.00312008/step Wall: 2272.38, 0.00312008/step, 3.70146 hours remaining, 235.078125 MB of memory in use. ENERGY: 729200 4006.1594 20494.5042 14459.7754 246.7060 -203385.6076 2922.4431 0.0000 0.0000 52095.0407 -109160.9788 299.3909 -161256.0195 -108803.6149 299.0244 45.5921 81.0073 760642.5624 26.3941 26.5725 PRESSURE: 729400 -261.716 237.198 -25.5803 237.198 -344.51 -178.106 -25.5807 -178.107 13.7516 GPRESSURE: 729400 -194.13 298.508 -20.0532 107.41 -269.761 -155.233 13.4184 7.41738 -36.6162 PRESSAVG: 729400 -15.9026 -17.4456 7.50557 -17.4456 25.7361 -32.0182 7.50558 -32.0183 2.63134 GPRESSAVG: 729400 -15.7729 -16.3846 8.19628 -14.8044 25.8799 -31.9664 6.6332 -31.7926 2.17653 TIMING: 729400 CPU: 2273, 0.00311792/step Wall: 2273, 0.00311793/step, 3.69873 hours remaining, 235.078125 MB of memory in use. ENERGY: 729400 4002.4125 20487.4036 14446.7283 247.8766 -203206.9498 2638.6539 0.0000 0.0000 52108.5412 -109275.3336 299.4685 -161383.8748 -108925.2618 299.3455 -197.4915 -166.8360 762612.0619 4.1550 4.0945 PRESSURE: 729600 -244.208 -25.0632 -239.268 -25.0636 157.191 -13.3921 -239.268 -13.3918 -168.426 GPRESSURE: 729600 -175.643 -77.5193 -132.708 68.5969 236.883 67.0403 -141.177 88.673 -222.448 PRESSAVG: 729600 -23.6033 -8.5237 -24.9183 -8.52368 1.00999 12.3183 -24.9183 12.3184 8.59364 GPRESSAVG: 729600 -23.0766 -8.639 -25.1255 -10.6774 0.761773 11.2388 -24.2603 15.2338 8.397 TIMING: 729600 CPU: 2273.62, 0.0031147/step Wall: 2273.62, 0.0031147/step, 3.69473 hours remaining, 235.078125 MB of memory in use. ENERGY: 729600 4012.5848 20412.7846 14416.7635 257.4359 -203410.4945 2855.2523 0.0000 0.0000 51935.2454 -109520.4280 298.4726 -161455.6734 -109160.0028 298.8599 -85.1474 -53.7361 762060.0283 -4.6665 -4.6393 PRESSURE: 729800 77.4206 -38.9107 -145.853 -38.9104 -207.538 94.8172 -145.853 94.8177 -125.121 GPRESSURE: 729800 104.057 6.05745 -155.217 15.4587 -213.816 136.02 -232.577 148.402 -70.3303 PRESSAVG: 729800 18.6213 40.5046 3.23196 40.5046 5.86002 -3.36343 3.23196 -3.36344 4.24227 GPRESSAVG: 729800 17.3487 39.6245 4.52996 41.6724 5.73994 -2.90722 2.3071 -6.87406 5.6749 TIMING: 729800 CPU: 2274.25, 0.00313446/step Wall: 2274.25, 0.00313446/step, 3.71799 hours remaining, 235.078125 MB of memory in use. ENERGY: 729800 3981.3223 20527.5533 14390.9578 229.5474 -203046.0603 2426.3735 0.0000 0.0000 51804.5606 -109685.7454 297.7215 -161490.3060 -109330.3142 298.5573 -85.0794 -60.0296 761378.1079 9.5745 9.5879 PRESSURE: 730000 -256.773 36.7126 88.8711 36.713 38.2662 129.712 88.8706 129.711 -112.62 GPRESSURE: 730000 -272.217 27.4066 91.8423 91.3548 46.7548 80.022 6.58776 157.405 -18.3156 PRESSAVG: 730000 0.684085 33.988 25.0329 33.988 -37.7852 -3.58822 25.0329 -3.58823 11.1889 GPRESSAVG: 730000 0.0407723 34.0392 24.236 33.121 -37.1754 -4.65151 23.7735 -1.07318 11.6993 TIMING: 730000 CPU: 2274.87, 0.00312887/step Wall: 2274.87, 0.00312887/step, 3.71119 hours remaining, 235.078125 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: 730000 3968.7192 20435.3916 14376.0702 250.3194 -203556.7751 2981.5425 0.0000 0.0000 51992.7434 -109551.9889 298.8030 -161544.7322 -109193.4216 298.6018 -110.3755 -81.2593 763295.2551 -8.6374 -8.4785 PRESSURE: 730200 349.918 -127.597 -236.345 -127.597 -107.906 -60.3233 -236.345 -60.3223 -92.1228 GPRESSURE: 730200 396.896 -145.698 -153.936 -26.4227 -95.7142 -78.6665 -275.394 56.7789 -81.4617 PRESSAVG: 730200 -41.5861 -7.59295 29.03 -7.59292 12.2974 14.2905 29.0299 14.2905 8.95833 GPRESSAVG: 730200 -39.4817 -6.66616 27.7637 -6.58192 12.198 15.2189 30.1522 11.8054 7.14423 TIMING: 730200 CPU: 2275.5, 0.00313684/step Wall: 2275.5, 0.00313684/step, 3.72046 hours remaining, 235.078125 MB of memory in use. ENERGY: 730200 4009.0157 20616.4781 14339.6925 250.8307 -203493.5223 2945.2107 0.0000 0.0000 51788.2737 -109544.0210 297.6279 -161332.2947 -109181.3710 297.7459 49.9631 73.2401 763248.3963 -6.7768 -6.7131 PRESSURE: 730400 -70.6818 -9.93436 53.0092 -9.93455 -116.587 -26.1565 53.0083 -26.1564 10.6888 GPRESSURE: 730400 -29.1544 -25.1833 187.247 -54.6233 -108.946 -40.4215 44.6114 64.0141 44.816 PRESSAVG: 730400 -13.7435 4.77623 30.613 4.7762 -17.1498 -5.20101 30.613 -5.201 -2.61693 GPRESSAVG: 730400 -13.3118 3.79865 32.6353 3.45729 -16.7249 -6.94686 30.7376 -1.22555 -3.09348 TIMING: 730400 CPU: 2276.13, 0.00312048/step Wall: 2276.13, 0.00312048/step, 3.70089 hours remaining, 235.078125 MB of memory in use. ENERGY: 730400 4051.7283 20532.2189 14339.8341 248.1263 -203315.6678 2872.0080 0.0000 0.0000 51988.8725 -109282.8797 298.7808 -161271.7522 -108927.2614 298.2848 -58.8602 -31.0950 763113.9454 -11.1701 -11.0434 PRESSURE: 730600 -89.0448 -75.1933 166.651 -75.1923 145.398 68.3753 166.651 68.375 350.926 GPRESSURE: 730600 -87.0776 24.4537 114.827 -43.3665 229.169 119.5 171.151 160.938 349.537 PRESSAVG: 730600 38.6595 -24.0367 30.6729 -24.0367 -6.46386 44.4752 30.6729 44.4752 3.31859 GPRESSAVG: 730600 37.5064 -22.1392 30.932 -23.2429 -6.08602 45.8431 29.5427 42.8132 3.70379 TIMING: 730600 CPU: 2276.75, 0.00311604/step Wall: 2276.75, 0.00311604/step, 3.69545 hours remaining, 235.078125 MB of memory in use. ENERGY: 730600 4014.2226 20536.0221 14399.7504 229.0675 -203489.3283 2921.8931 0.0000 0.0000 51938.8662 -109449.5064 298.4934 -161388.3726 -109079.8012 299.0422 135.7598 163.8760 761831.8293 11.8381 11.7081 PRESSURE: 730800 -465.41 141.84 140.168 141.84 -92.2937 -246.037 140.169 -246.038 -391.457 GPRESSURE: 730800 -371.5 145.212 101.107 -24.2937 -130.604 -205.36 137.732 -249.263 -363.44 PRESSAVG: 730800 -18.1455 -15.4637 61.3571 -15.4637 46.5066 55.6904 61.3571 55.6904 0.0634573 GPRESSAVG: 730800 -17.4958 -13.9688 60.9324 -15.7881 44.5067 56.5155 64.079 55.4483 1.69442 TIMING: 730800 CPU: 2277.37, 0.00311438/step Wall: 2277.37, 0.00311438/step, 3.69331 hours remaining, 235.078125 MB of memory in use. ENERGY: 730800 3991.1823 20491.2878 14380.0977 248.2288 -203010.7982 2630.0783 0.0000 0.0000 51750.5178 -109519.4056 297.4109 -161269.9234 -109149.8221 298.0995 -316.3869 -288.5146 762857.4361 9.4748 9.5685 PRESSURE: 731000 27.9443 -152.146 -314.015 -152.146 -451.361 137.586 -314.014 137.584 -496.62 GPRESSURE: 731000 105.938 -76.9545 -309.956 -162.497 -445.381 149.003 -277.039 114.152 -494.076 PRESSAVG: 731000 18.5396 39.6803 54.541 39.6803 3.04051 58.2448 54.5409 58.2448 -10.8038 GPRESSAVG: 731000 18.7109 37.1409 53.3918 41.7416 4.77395 57.2489 53.3615 58.087 -12.6459 TIMING: 731000 CPU: 2277.99, 0.0031131/step Wall: 2277.99, 0.0031131/step, 3.69161 hours remaining, 235.078125 MB of memory in use. ENERGY: 731000 4021.8110 20494.2211 14361.7152 240.2547 -203003.7064 2582.0656 0.0000 0.0000 51919.0182 -109384.6206 298.3793 -161303.6388 -109016.6817 298.4412 -306.6789 -277.8394 762710.4241 3.5921 3.6130 PRESSURE: 731200 -66.6486 42.6974 -109.599 42.6982 39.8635 -40.3317 -109.599 -40.3316 -176.843 GPRESSURE: 731200 -15.2612 -16.6773 -132.955 122.343 74.5295 100.939 -58.9515 -19.3405 -176.309 PRESSAVG: 731200 23.0036 -3.90032 -31.9392 -3.90029 -17.9908 9.50201 -31.9392 9.50198 -17.5956 GPRESSAVG: 731200 21.4375 -5.31342 -31.7517 -2.89774 -17.98 9.89116 -31.958 8.3782 -16.3523 TIMING: 731200 CPU: 2278.62, 0.00314443/step Wall: 2278.62, 0.00314443/step, 3.72859 hours remaining, 235.078125 MB of memory in use. ENERGY: 731200 3977.6192 20432.9913 14462.1358 256.3799 -203678.6743 2813.7861 0.0000 0.0000 51999.9430 -109735.8190 298.8444 -161735.7620 -109366.5544 298.0723 -67.8760 -39.0135 761050.0278 -4.1942 -4.2983 PRESSURE: 731400 59.4751 -149.222 79.2516 -149.221 -254.414 106.213 79.2512 106.214 196.326 GPRESSURE: 731400 45.1462 -58.7314 45.3604 1.92093 -124.683 87.3897 58.857 153.74 154.23 PRESSAVG: 731400 -3.77634 17.2751 -48.6992 17.2751 2.85562 22.4373 -48.6993 22.4374 9.0132 GPRESSAVG: 731400 -2.90496 18.1235 -47.4997 15.5965 2.0786 22.0308 -49.1265 23.1272 8.48613 TIMING: 731400 CPU: 2279.25, 0.00313631/step Wall: 2279.25, 0.00313631/step, 3.71879 hours remaining, 235.078125 MB of memory in use. ENERGY: 731400 3971.1642 20423.3552 14451.0204 240.2313 -203081.5896 2462.7107 0.0000 0.0000 52088.8237 -109444.2842 299.3552 -161533.1078 -109066.9614 298.1977 0.4624 24.8979 761723.3562 2.6975 2.5533 PRESSURE: 731600 5.29374 198.777 14.5121 198.777 329.304 103.786 14.512 103.786 -140.278 GPRESSURE: 731600 67.7091 149.027 -40.8081 356.11 266.626 35.6103 160.03 119.166 -51.2508 PRESSAVG: 731600 43.899 -0.323926 -4.56989 -0.323883 26.7336 -4.83449 -4.56987 -4.8346 6.09184 GPRESSAVG: 731600 44.4953 0.603495 -5.55931 0.358654 26.3424 -3.13598 -3.75718 -5.01363 6.24684 TIMING: 731600 CPU: 2279.88, 0.00313248/step Wall: 2279.88, 0.00313248/step, 3.71407 hours remaining, 235.078125 MB of memory in use. ENERGY: 731600 3901.3302 20645.4810 14479.0972 236.1998 -203133.1474 2632.3732 0.0000 0.0000 51968.6259 -109270.0401 298.6644 -161238.6660 -108918.9661 298.9933 64.7732 94.3614 761158.4037 25.5748 25.6949 PRESSURE: 731800 -310.582 46.9583 39.67 46.9573 28.5719 -286.594 39.6699 -286.593 187.213 GPRESSURE: 731800 -195.752 44.6069 104.01 28.9298 96.0417 -324.299 -29.089 -174.11 92.7649 PRESSAVG: 731800 -14.9369 -12.2755 -49.7459 -12.2754 12.4296 -19.732 -49.7459 -19.732 -5.76606 GPRESSAVG: 731800 -14.9093 -14.0186 -48.4916 -11.9696 14.2612 -19.3292 -49.752 -20.6819 -7.8045 TIMING: 731800 CPU: 2280.5, 0.00312521/step Wall: 2280.5, 0.00312521/step, 3.70528 hours remaining, 235.078125 MB of memory in use. ENERGY: 731800 3989.3299 20547.1233 14445.6192 263.5790 -203190.2567 2779.6370 0.0000 0.0000 51830.4390 -109334.5292 297.8702 -161164.9682 -108971.8672 298.7356 -31.5991 -2.3153 761626.7534 -2.7578 -2.8175 PRESSURE: 732000 166.245 -147.717 -17.3835 -147.718 -91.9504 -16.9519 -17.3841 -16.9521 534.617 GPRESSURE: 732000 230.509 -77.9905 -68.802 -205.165 -57.2558 -85.9481 53.3629 -32.5341 511.105 PRESSAVG: 732000 -36.9654 -51.0714 -9.0682 -51.0714 23.6393 -25.9476 -9.06818 -25.9475 -19.8107 GPRESSAVG: 732000 -36.426 -49.0033 -10.038 -52.0896 21.6828 -28.6285 -9.58347 -23.4648 -18.1292 TIMING: 732000 CPU: 2281.13, 0.00312215/step Wall: 2281.13, 0.00312215/step, 3.70148 hours remaining, 235.078125 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: 732000 4034.4042 20581.8953 14467.6341 231.7513 -203210.1814 2668.9703 0.0000 0.0000 51948.6167 -109276.9095 298.5494 -161225.5262 -108924.9888 298.3216 202.9705 228.1194 763391.9949 -11.0456 -10.9575 PRESSURE: 732200 27.6153 31.3767 -24.7303 31.3776 236.669 223.949 -24.7312 223.949 -177.013 GPRESSURE: 732200 -4.81281 35.475 -31.3996 -1.99413 326.384 145.792 37.9957 191.272 -150.349 PRESSAVG: 732200 26.7493 -3.72514 17.6507 -3.72512 -29.012 15.8593 17.6506 15.8593 -11.4366 GPRESSAVG: 732200 27.2613 -3.2407 16.7736 -3.9793 -28.6707 15.428 18.9575 13.2248 -12.3869 TIMING: 732200 CPU: 2281.75, 0.00311544/step Wall: 2281.75, 0.00311544/step, 3.69335 hours remaining, 235.078125 MB of memory in use. ENERGY: 732200 3954.5033 20630.2457 14435.2002 246.6590 -203562.8737 2962.0260 0.0000 0.0000 51933.9474 -109400.2920 298.4651 -161334.2394 -109042.2282 298.9684 29.0902 57.0743 763779.8178 -4.5664 -4.5988 LDB: ============= START OF LOAD BALANCING ============== 2294.23 LDB: ============== END OF LOAD BALANCING =============== 2294.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2294.23 LDB: ============= START OF LOAD BALANCING ============== 2294.54 LDB: Largest compute 6977 load 0.030870 is 15.8% of average load 0.195095 LDB: Average compute 0.004363 is 2.2% of average load 0.195095 LDB: TIME 2294.55 LOAD: AVG 0.195095 MAX 0.217584 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.617 MB LDB: TIME 2294.55 LOAD: AVG 0.195095 MAX 0.217584 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.617 MB LDB: TIME 2294.55 LOAD: AVG 0.195095 MAX 0.217584 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.617 MB LDB: ============== END OF LOAD BALANCING =============== 2294.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2294.55 PRESSURE: 732400 -165.59 -12.422 116.831 -12.4222 -3.63883 78.8452 116.831 78.8439 -614.599 GPRESSURE: 732400 -100.235 -71.2174 114.553 -58.3822 35.5946 67.0999 207.365 43.0857 -626.021 PRESSAVG: 732400 16.7799 -15.9425 22.8197 -15.9425 -7.96225 -10.6945 22.8197 -10.6945 -19.2242 GPRESSAVG: 732400 15.2699 -16.8814 22.6579 -17.0242 -6.79177 -9.34558 20.8707 -10.0193 -18.8787 TIMING: 732400 CPU: 2282.39, 0.00319259/step Wall: 2282.39, 0.00319259/step, 3.78464 hours remaining, 233.960938 MB of memory in use. ENERGY: 732400 4029.6809 20441.8521 14379.3172 252.1700 -203195.9302 2932.2042 0.0000 0.0000 52002.8009 -109157.9049 298.8608 -161160.7058 -108790.8291 298.8656 -261.2761 -230.2203 764254.2554 -3.4689 -3.4669 PRESSURE: 732600 -162.41 12.9543 98.8707 12.9543 -31.8921 -166.738 98.8705 -166.737 -107.587 GPRESSURE: 732600 -127.156 -122.9 72.7381 -110.543 -0.192529 -69.6428 90.9246 -123.455 -93.6599 PRESSAVG: 732600 6.4022 -27.6233 63.2983 -27.6232 -52.6085 -49.3051 63.2983 -49.3052 -0.260676 GPRESSAVG: 732600 6.80341 -26.1676 63.8297 -26.6025 -53.5203 -48.1251 63.426 -48.0668 -0.0505668 TIMING: 732600 CPU: 2283.01, 0.00310719/step Wall: 2283.01, 0.0031072/step, 3.68323 hours remaining, 234.164062 MB of memory in use. ENERGY: 732600 3952.4371 20544.8683 14448.5454 246.3622 -203921.3778 3292.0857 0.0000 0.0000 52113.8658 -109323.2132 299.4991 -161437.0790 -108959.6625 299.4142 -100.6297 -73.6694 761714.5395 -15.4890 -15.5892 PRESSURE: 732800 32.137 145.271 -113.194 145.27 231.37 132.005 -113.196 132.006 -73.5077 GPRESSURE: 732800 34.8431 22.109 -77.4903 235.491 284.881 88.5894 -135.59 61.1923 -42.4696 PRESSAVG: 732800 24.0088 -9.50871 18.7017 -9.50871 -19.3219 11.1216 18.7017 11.1216 -2.5582 GPRESSAVG: 732800 22.9106 -11.4583 20.061 -9.02389 -18.6543 10.0849 18.8001 10.9605 -2.52496 TIMING: 732800 CPU: 2283.63, 0.00312025/step Wall: 2283.63, 0.00312025/step, 3.69854 hours remaining, 234.164062 MB of memory in use. ENERGY: 732800 3905.2975 20518.1000 14344.8694 243.2709 -203240.4804 2840.6846 0.0000 0.0000 52103.1897 -109285.0683 299.4377 -161388.2580 -108932.8154 299.2037 63.3331 92.4181 762072.6813 0.7095 0.5771 PRESSURE: 733000 -299.75 102.234 111.914 102.234 -345.587 61.9305 111.915 61.9323 -622.474 GPRESSURE: 733000 -353.169 90.3671 140.649 151.547 -175.264 120.792 106.761 -87.4952 -641.947 PRESSAVG: 733000 -13.7847 21.6475 23.9167 21.6474 8.98787 -29.001 23.9168 -29.0009 10.0114 GPRESSAVG: 733000 -13.0958 23.8517 24.0678 22.4281 8.77431 -28.1257 23.9646 -30.2817 9.73165 TIMING: 733000 CPU: 2284.26, 0.00311744/step Wall: 2284.26, 0.00311744/step, 3.69504 hours remaining, 234.164062 MB of memory in use. ENERGY: 733000 4031.0863 20465.2145 14480.1155 244.9502 -203220.2630 2521.9797 0.0000 0.0000 52271.7494 -109205.1674 300.4065 -161476.9168 -108844.8216 299.3163 -422.6036 -390.1265 761538.8508 1.7382 1.8034 PRESSURE: 733200 301.41 33.0883 1.50655 33.0885 -68.0138 -114.998 1.50635 -114.999 -208.877 GPRESSURE: 733200 325.338 79.5117 -22.0388 27.1798 -72.691 -38.8183 139.367 -91.4753 -121.618 PRESSAVG: 733200 -26.2144 15.1822 21.4057 15.1822 -26.1316 -42.3564 21.4057 -42.3563 -8.3731 GPRESSAVG: 733200 -27.7187 13.8665 21.1736 13.6669 -24.8561 -42.2889 20.0232 -41.1077 -7.63203 TIMING: 733200 CPU: 2284.88, 0.00312571/step Wall: 2284.88, 0.00312571/step, 3.70467 hours remaining, 234.164062 MB of memory in use. ENERGY: 733200 4008.8048 20469.4051 14400.1798 256.9030 -203349.6827 2779.0408 0.0000 0.0000 52071.4186 -109363.9305 299.2552 -161435.3491 -109005.2040 298.6246 8.1731 43.6765 761864.2374 -20.2397 -20.0689 PRESSURE: 733400 -524.833 0.300931 -154.633 0.300824 -24.278 -82.6802 -154.633 -82.6802 -115.049 GPRESSURE: 733400 -420.679 -135.167 -190.126 24.6191 -66.6931 -34.4103 7.50113 -169.179 -99.8232 PRESSAVG: 733400 20.3411 0.201228 -25.7167 0.201263 -23.1821 -76.8781 -25.7167 -76.8781 2.19389 GPRESSAVG: 733400 20.8976 0.273392 -27.6555 1.04623 -22.4274 -76.2748 -24.1751 -78.2593 0.928706 TIMING: 733400 CPU: 2285.51, 0.00311491/step Wall: 2285.51, 0.00311491/step, 3.69169 hours remaining, 234.164062 MB of memory in use. ENERGY: 733400 3990.0369 20511.2515 14390.8156 242.7918 -202741.2834 2405.6204 0.0000 0.0000 51976.9142 -109223.8530 298.7120 -161200.7671 -108856.5860 298.8780 -221.3866 -195.7316 762560.3417 -0.2157 -0.2004 PRESSURE: 733600 186.898 32.2626 -49.3533 32.2622 141.489 180.252 -49.353 180.253 34.8019 GPRESSURE: 733600 206.553 39.2893 -32.2982 -165.675 204.782 184.383 72.66 323.465 20.5973 PRESSAVG: 733600 -27.0574 38.9386 10.1026 38.9386 3.29171 15.2827 10.1026 15.2828 -17.3236 GPRESSAVG: 733600 -25.0047 39.5285 9.89271 37.121 1.73091 14.1053 9.91376 17.6605 -17.4842 TIMING: 733600 CPU: 2286.13, 0.00310679/step Wall: 2286.13, 0.00310679/step, 3.68189 hours remaining, 234.164062 MB of memory in use. ENERGY: 733600 3976.8222 20403.4250 14433.9058 260.3223 -203120.8586 2857.5953 0.0000 0.0000 51942.6587 -109246.1293 298.5152 -161188.7881 -108881.5094 298.5948 121.0627 143.9774 762085.1443 -13.6964 -13.5860 PRESSURE: 733800 -239.84 -68.5975 143.369 -68.5971 255.079 71.6974 143.37 71.6982 52.5808 GPRESSURE: 733800 -208.022 -127.976 173.894 -40.6137 330.125 206.458 139.154 92.5212 33.3512 PRESSAVG: 733800 -8.27088 -72.1046 -10.923 -72.1045 4.06585 16.166 -10.9231 16.1659 12.1038 GPRESSAVG: 733800 -8.15851 -71.6233 -9.9979 -70.9748 3.01882 18.0001 -10.8917 14.4463 13.0424 TIMING: 733800 CPU: 2286.75, 0.00310817/step Wall: 2286.75, 0.00310817/step, 3.68335 hours remaining, 234.164062 MB of memory in use. ENERGY: 733800 3971.9263 20526.6865 14311.7212 228.6879 -203330.0541 2898.4346 0.0000 0.0000 52251.0858 -109141.5119 300.2877 -161392.5977 -108790.2230 298.6844 22.6064 51.8182 763877.0529 2.6329 2.6342 PRESSURE: 734000 -269.688 -64.1364 0.309415 -64.1355 207.402 12.7771 0.309883 12.7773 -17.5022 GPRESSURE: 734000 -207.829 1.18404 10.1511 -30.775 226.689 -9.12298 35.4387 -106.718 -4.72543 PRESSAVG: 734000 -40.8481 20.0029 -4.68772 20.003 49.7003 16.5659 -4.6877 16.566 -14.259 GPRESSAVG: 734000 -42.8308 19.9044 -4.76385 20.2315 51.1526 14.8469 -6.21763 16.5496 -13.9687 TIMING: 734000 CPU: 2287.37, 0.00309389/step Wall: 2287.37, 0.00309389/step, 3.66626 hours remaining, 234.164062 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: 734000 3936.3955 20526.5012 14433.3332 236.9939 -202918.3403 3018.6048 0.0000 0.0000 51518.8721 -109247.6396 296.0797 -160766.5117 -108894.0793 298.5401 -26.5960 4.7115 763636.1877 -1.8023 -1.8823 PRESSURE: 734200 -359.106 68.1592 82.5642 68.1593 -229.883 -47.6918 82.5639 -47.691 -107.956 GPRESSURE: 734200 -306.581 172.732 104.844 83.54 -289.038 -25.5652 -101.614 -20.0634 14.518 PRESSAVG: 734200 -30.7163 -20.6293 -22.7974 -20.6293 41.1384 2.74514 -22.7974 2.74518 27.2572 GPRESSAVG: 734200 -29.7622 -20.827 -22.6881 -21.5952 40.4571 3.89265 -21.5533 2.98294 27.4273 TIMING: 734200 CPU: 2287.99, 0.00309894/step Wall: 2287.99, 0.00309894/step, 3.67208 hours remaining, 234.164062 MB of memory in use. ENERGY: 734200 4078.4265 20337.6749 14465.7970 254.7042 -202919.8943 2506.1013 0.0000 0.0000 51722.8915 -109554.2989 297.2522 -161277.1904 -109203.3995 298.2609 -232.3151 -193.7003 764032.1640 12.5598 12.7074 PRESSURE: 734400 -237.887 -169.036 -106.662 -169.037 102.844 160.1 -106.661 160.101 227.085 GPRESSURE: 734400 -172.331 -119.066 -93.4421 -186.593 118.769 144.831 -5.9742 56.5263 236.006 PRESSAVG: 734400 -13.2932 40.0322 -5.27867 40.0321 9.34973 14.2636 -5.27859 14.2636 4.38144 GPRESSAVG: 734400 -13.6185 39.9137 -5.65724 39.9272 10.7763 14.3684 -5.8114 13.4559 2.96376 TIMING: 734400 CPU: 2288.61, 0.00310746/step Wall: 2288.61, 0.00310746/step, 3.68199 hours remaining, 234.164062 MB of memory in use. ENERGY: 734400 3903.8410 20419.3367 14371.6802 246.8929 -203157.7511 2663.8200 0.0000 0.0000 51944.3285 -109607.8517 298.5248 -161552.1802 -109247.7225 298.3263 30.6809 60.8145 763215.7981 0.1460 0.0405 PRESSURE: 734600 -279.985 109.891 -20.5085 109.891 213.48 34.1417 -20.5094 34.1424 242.929 GPRESSURE: 734600 -188.729 224.804 -36.531 261.385 170.547 1.58872 2.8613 98.2051 258.561 PRESSAVG: 734600 -21.0473 14.546 -13.6087 14.546 65.7118 -16.3463 -13.6087 -16.3464 10.1912 GPRESSAVG: 734600 -22.0697 13.6356 -14.8373 15.8885 66.384 -16.8353 -14.135 -17.3127 10.4957 TIMING: 734600 CPU: 2289.23, 0.00311986/step Wall: 2289.23, 0.00311986/step, 3.69651 hours remaining, 234.164062 MB of memory in use. ENERGY: 734600 3923.8144 20541.2356 14386.1973 254.1440 -203383.8531 2877.5399 0.0000 0.0000 51892.3467 -109508.5752 298.2260 -161400.9219 -109155.4377 297.9836 58.8080 80.1266 763903.9924 18.2852 18.2700 PRESSURE: 734800 -17.8924 132.461 14.0374 132.461 -55.896 -169.203 14.0384 -169.202 -250.394 GPRESSURE: 734800 -67.9975 49.9252 55.2435 31.8731 -38.8695 -101.565 -67.1414 -82.6924 -142.1 PRESSAVG: 734800 24.5496 2.10369 27.3152 2.10369 5.65522 -30.3029 27.3151 -30.3029 8.19936 GPRESSAVG: 734800 23.8345 1.6046 29.6424 2.64527 5.30365 -30.9191 26.5405 -27.6107 9.73347 TIMING: 734800 CPU: 2289.86, 0.00313337/step Wall: 2289.86, 0.00313337/step, 3.71234 hours remaining, 234.164062 MB of memory in use. ENERGY: 734800 4011.4874 20549.8770 14463.6296 257.2422 -203388.2098 2922.8969 0.0000 0.0000 51756.2752 -109426.8014 297.4440 -161183.0766 -109071.2015 298.5809 -108.0608 -82.9891 763211.4309 12.8014 12.9572 PRESSURE: 735000 -190.205 -74.009 40.4454 -74.0089 -399.076 -120.213 40.4459 -120.213 -201.476 GPRESSURE: 735000 -185.536 -90.8507 -22.5773 -52.1772 -361.171 -111.076 124.362 -197.416 -171.244 PRESSAVG: 735000 -35.7488 40.8333 -25.9444 40.8333 27.1748 15.857 -25.9444 15.8569 -13.0675 GPRESSAVG: 735000 -33.7716 42.4686 -26.1364 37.9196 25.9683 16.0289 -25.9199 16.275 -13.8844 TIMING: 735000 CPU: 2290.48, 0.00312141/step Wall: 2290.48, 0.00312141/step, 3.698 hours remaining, 234.164062 MB of memory in use. ENERGY: 735000 3922.5523 20651.6630 14356.5776 237.1404 -203211.4797 2807.0715 0.0000 0.0000 51849.1759 -109387.2989 297.9779 -161236.4749 -109027.7677 297.9365 -263.5856 -239.3172 763838.3368 -7.2138 -7.2292 PRESSURE: 735200 103.225 153.699 -38.379 153.699 148.26 -43.3466 -38.38 -43.3472 -12.906 GPRESSURE: 735200 147.193 -4.70861 -24.0973 133.009 127.372 40.8327 -92.1969 -57.1496 27.0747 PRESSAVG: 735200 -56.6625 -14.6932 22.5611 -14.6932 51.6689 4.44905 22.561 4.44906 -7.33736 GPRESSAVG: 735200 -56.1181 -15.1553 20.4094 -13.1161 50.914 5.40741 24.8096 3.01716 -6.86565 TIMING: 735200 CPU: 2291.11, 0.00311376/step Wall: 2291.11, 0.00311376/step, 3.68877 hours remaining, 234.164062 MB of memory in use. ENERGY: 735200 4045.5410 20628.9479 14403.0624 254.4621 -203685.4959 3053.5738 0.0000 0.0000 51951.8701 -109348.0386 298.5681 -161299.9087 -108996.4989 298.2630 79.5262 100.5467 763325.0041 -4.1103 -4.0232 PRESSURE: 735400 -47.3343 -170.616 -20.5955 -170.615 -221.79 99.9276 -20.5959 99.9271 79.8806 GPRESSURE: 735400 26.6402 -192.264 16.1005 7.9519 -123.265 151.115 -28.5443 80.9648 21.0533 PRESSAVG: 735400 27.0989 7.45043 28.999 7.45046 6.27944 -19.8952 28.999 -19.8953 2.45538 GPRESSAVG: 735400 26.6314 7.55863 28.1764 7.04849 7.25644 -19.2147 29.5605 -18.2259 2.4341 TIMING: 735400 CPU: 2291.73, 0.00310825/step Wall: 2291.73, 0.00310825/step, 3.68207 hours remaining, 234.164062 MB of memory in use. ENERGY: 735400 3914.8058 20584.0315 14462.3162 239.3627 -203409.2952 2956.0365 0.0000 0.0000 51753.8322 -109498.9102 297.4300 -161252.7425 -109137.6035 297.9375 -63.0811 -25.1904 763764.4635 11.9446 12.1073 PRESSURE: 735600 210.067 130.171 -238.653 130.171 92.7409 0.932839 -238.654 0.932798 -125.527 GPRESSURE: 735600 248.202 85.4221 -218.081 152.898 86.1175 -15.8061 -173.763 54.7604 -75.7415 PRESSAVG: 735600 38.4395 51.4063 27.8427 51.4063 -4.27907 -39.7715 27.8428 -39.7715 5.30011 GPRESSAVG: 735600 38.4504 51.5249 28.7044 53.4192 -5.18297 -40.9606 26.9259 -41.2357 5.4828 TIMING: 735600 CPU: 2292.35, 0.0031005/step Wall: 2292.35, 0.0031005/step, 3.67271 hours remaining, 234.164062 MB of memory in use. ENERGY: 735600 3976.4458 20674.0907 14468.8472 267.7211 -203533.9693 2926.9103 0.0000 0.0000 52010.6348 -109209.3193 298.9058 -161219.9541 -108850.9703 298.0752 59.0936 86.1926 762624.5746 13.1535 12.9167 PRESSURE: 735800 285.911 116.079 -43.7171 116.078 -242.565 -113.961 -43.7163 -113.962 -101.885 GPRESSURE: 735800 174.241 -42.6967 49.1858 91.5275 -100.02 -224.12 -109.945 -5.94738 -61.3183 PRESSAVG: 735800 -1.80345 32.1917 -1.46198 32.1917 0.998447 28.1945 -1.46192 28.1945 18.7553 GPRESSAVG: 735800 -2.91551 32.1288 -1.7531 31.0389 2.18788 28.001 -1.69029 28.0447 18.0122 TIMING: 735800 CPU: 2292.97, 0.00310436/step Wall: 2292.97, 0.00310436/step, 3.67712 hours remaining, 234.164062 MB of memory in use. ENERGY: 735800 4005.7432 20508.3239 14387.9292 242.7328 -203102.3871 2822.0523 0.0000 0.0000 51805.2530 -109330.3526 297.7255 -161135.6056 -108966.6190 298.6866 -19.5130 4.3010 764903.4139 5.9834 5.7615 PRESSURE: 736000 -224.331 12.561 178.779 12.5604 105.039 38.7759 178.779 38.7769 149.946 GPRESSURE: 736000 -145.411 48.7628 172.557 53.7298 169.753 83.2747 50.8544 132.95 92.3757 PRESSAVG: 736000 -5.1672 54.3476 -54.81 54.3476 30.3486 40.4492 -54.81 40.4493 0.785468 GPRESSAVG: 736000 -4.63887 51.6407 -54.3771 53.5719 29.4586 39.2187 -55.231 38.5619 1.08816 TIMING: 736000 CPU: 2293.59, 0.00310775/step Wall: 2293.59, 0.00310775/step, 3.68096 hours remaining, 234.164062 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: 736000 3954.9932 20484.7672 14419.7188 233.4493 -203451.2555 3126.3870 0.0000 0.0000 51851.8586 -109380.0815 297.9933 -161231.9401 -109020.6035 297.7533 10.2180 38.9056 765010.2182 8.6556 8.6360 PRESSURE: 736200 -44.8019 -25.8319 409.411 -25.8318 -214.009 -18.4691 409.411 -18.469 163.357 GPRESSURE: 736200 1.21474 -65.3493 420.801 -46.9779 -186.39 -28.6214 216.268 61.8783 181.821 PRESSAVG: 736200 24.1773 -6.03526 35.5766 -6.03534 -24.6764 -9.49887 35.5766 -9.49888 5.10102 GPRESSAVG: 736200 23.0286 -5.12521 36.2794 -5.34106 -23.3121 -5.34 34.4364 -8.16485 5.1552 TIMING: 736200 CPU: 2294.21, 0.00310811/step Wall: 2294.21, 0.00310811/step, 3.68121 hours remaining, 234.164062 MB of memory in use. ENERGY: 736200 4004.2072 20557.4200 14474.5649 253.9387 -203794.4176 3175.2809 0.0000 0.0000 51870.8743 -109458.1315 298.1026 -161329.0058 -109096.2825 298.0307 -31.8180 -1.1181 765552.0742 1.5340 1.6239 LDB: ============= START OF LOAD BALANCING ============== 2306.69 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2306.69 LDB: =============== DONE WITH MIGRATION ================ 2306.69 LDB: ============= START OF LOAD BALANCING ============== 2307 LDB: Largest compute 6986 load 0.029767 is 15.3% of average load 0.195051 LDB: Average compute 0.004381 is 2.2% of average load 0.195051 LDB: TIME 2307.01 LOAD: AVG 0.195051 MAX 0.21504 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.039 MB LDB: TIME 2307.01 LOAD: AVG 0.195051 MAX 0.21504 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.039 MB LDB: TIME 2307.01 LOAD: AVG 0.195051 MAX 0.21504 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.039 MB LDB: ============== END OF LOAD BALANCING =============== 2307.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2307.02 PRESSURE: 736400 286.867 58.1692 50.2526 58.1699 -549.274 -139.532 50.2538 -139.532 -245.343 GPRESSURE: 736400 202.322 138.347 -56.6158 63.9526 -473.532 -132.242 -56.5846 -273.308 -173.539 PRESSAVG: 736400 50.0587 21.9585 -24.62 21.9585 -38.6208 15.2857 -24.62 15.2857 -3.70247 GPRESSAVG: 736400 50.7289 23.3023 -24.8633 20.2758 -39.4637 13.8784 -24.2078 15.905 -4.0642 TIMING: 736400 CPU: 2294.85, 0.00318698/step Wall: 2294.85, 0.00318698/step, 3.77445 hours remaining, 234.039062 MB of memory in use. ENERGY: 736400 4024.5010 20494.5837 14470.2786 239.4596 -203511.3690 2836.3732 0.0000 0.0000 51946.9176 -109499.2554 298.5396 -161446.1730 -109132.4341 298.4648 -169.2500 -148.2497 763750.6593 2.5784 2.4003 PRESSURE: 736600 160.147 -10.8314 57.7128 -10.832 -1.04154 150.867 57.7134 150.866 71.9168 GPRESSURE: 736600 66.5828 74.1474 -52.1927 -36.9051 94.8803 138.768 107.786 153.441 142.283 PRESSAVG: 736600 21.4385 -1.05716 -29.194 -1.0572 -9.84771 18.576 -29.1939 18.576 9.68437 GPRESSAVG: 736600 20.6367 -1.58699 -31.6105 -0.626169 -9.67837 18.1349 -30.1229 20.4833 9.55248 TIMING: 736600 CPU: 2295.48, 0.0031301/step Wall: 2295.48, 0.0031301/step, 3.7069 hours remaining, 234.039062 MB of memory in use. ENERGY: 736600 4005.2812 20461.6174 14432.6003 242.6533 -203473.6434 2879.8194 0.0000 0.0000 51881.1334 -109570.5384 298.1616 -161451.6718 -109209.2041 297.8722 77.0073 101.2487 764911.9782 7.0917 6.8370 PRESSURE: 736800 85.1763 -89.1829 -83.4823 -89.1824 -110.411 -191.558 -83.4816 -191.558 303.692 GPRESSURE: 736800 134.415 -133.122 -148.494 34.9983 -108.974 -167.788 35.2847 -219.584 341.936 PRESSAVG: 736800 2.95167 17.8073 19.323 17.8073 17.4553 64.921 19.323 64.921 14.4658 GPRESSAVG: 736800 2.73206 18.1773 20.4015 17.5208 17.8711 63.6645 20.9741 61.637 14.0659 TIMING: 736800 CPU: 2296.1, 0.00312444/step Wall: 2296.1, 0.00312444/step, 3.70003 hours remaining, 234.039062 MB of memory in use. ENERGY: 736800 4017.0319 20402.9362 14423.2311 247.4964 -203496.3267 3199.1127 0.0000 0.0000 51527.6622 -109678.8562 296.1302 -161206.5185 -109316.5102 298.3864 92.8192 122.4591 765585.5964 11.6242 11.5563 PRESSURE: 737000 -83.1861 -127.588 135.518 -127.588 -135.412 13.0276 135.518 13.0285 -162.621 GPRESSURE: 737000 -112.619 -168.263 178.135 -12.1059 -86.9586 -48.3097 32.6204 70.0296 -98.7152 PRESSAVG: 737000 25.1448 22.8212 -8.8886 22.8213 -36.0985 40.8626 -8.8886 40.8626 5.10366 GPRESSAVG: 737000 25.7228 24.1075 -6.82992 23.0056 -36.7246 41.0782 -11.4542 41.9041 4.94542 TIMING: 737000 CPU: 2296.72, 0.00312281/step Wall: 2296.72, 0.00312281/step, 3.69793 hours remaining, 234.039062 MB of memory in use. ENERGY: 737000 3931.4553 20444.1079 14373.0511 251.5829 -203030.5406 2578.8594 0.0000 0.0000 51972.2243 -109479.2596 298.6851 -161451.4840 -109110.0607 297.9571 -127.0728 -99.4308 766468.6925 -1.9500 -2.0188 PRESSURE: 737200 -137.246 -12.0433 48.1591 -12.0434 -34.0165 121.307 48.16 121.307 -125.038 GPRESSURE: 737200 -180.305 -66.056 111.927 -12.912 112.172 149.622 2.28356 76.3312 -153.397 PRESSAVG: 737200 -27.0066 -32.1146 41.2844 -32.1146 9.43927 30.6243 41.2845 30.6244 -11.1056 GPRESSAVG: 737200 -26.0393 -33.6438 42.147 -31.3661 9.40858 31.9906 42.5708 29.3927 -11.5379 TIMING: 737200 CPU: 2297.35, 0.00311899/step Wall: 2297.35, 0.00311899/step, 3.69323 hours remaining, 234.039062 MB of memory in use. ENERGY: 737200 4013.1825 20417.4337 14427.6859 250.7849 -203115.7291 2724.6516 0.0000 0.0000 51735.8203 -109546.1700 297.3265 -161281.9904 -109186.8449 298.0971 -98.7670 -73.8433 764569.7597 -9.5576 -9.3895 PRESSURE: 737400 54.4572 -266.507 91.0945 -266.506 284.443 220.285 91.0946 220.284 116.79 GPRESSURE: 737400 -39.2997 -239.6 90.6646 -261.649 359.649 212.042 80.7829 311.77 217.996 PRESSAVG: 737400 -14.2848 -31.218 -22.0244 -31.218 -3.10442 29.7609 -22.0244 29.761 -21.4091 GPRESSAVG: 737400 -14.9095 -31.3049 -24.1011 -29.8625 -3.36529 28.9212 -20.0736 30.8682 -20.8231 TIMING: 737400 CPU: 2297.97, 0.00312077/step Wall: 2297.97, 0.00312077/step, 3.69517 hours remaining, 234.039062 MB of memory in use. ENERGY: 737400 3950.2066 20484.9558 14383.6764 237.5266 -203393.9367 2878.9958 0.0000 0.0000 52077.4688 -109381.1067 299.2899 -161458.5756 -109021.3162 298.0341 151.8965 179.4482 763155.7121 -12.9328 -13.0326 PRESSURE: 737600 -149.509 26.1365 -220.077 26.1368 -282.407 64.2268 -220.078 64.2276 -41.3849 GPRESSURE: 737600 -157.208 -46.4411 -275.096 79.3198 -188.938 74.7194 -220.607 -109.935 -60.5417 PRESSAVG: 737600 21.1442 -29.3634 -31.1109 -29.3634 -16.8798 2.72372 -31.1108 2.7238 0.773931 GPRESSAVG: 737600 20.6579 -28.8058 -29.8367 -30.098 -16.4873 2.59895 -33.3838 1.64944 0.820722 TIMING: 737600 CPU: 2298.59, 0.00309808/step Wall: 2298.59, 0.00309808/step, 3.66813 hours remaining, 234.039062 MB of memory in use. ENERGY: 737600 3972.6642 20567.8062 14424.4550 259.6066 -203049.6724 2743.8874 0.0000 0.0000 51657.7516 -109423.5015 296.8778 -161081.2531 -109062.0080 298.2709 -157.7669 -135.5628 764985.3037 1.6794 1.6638 PRESSURE: 737800 -145.723 -193.67 217.559 -193.67 -90.0109 -76.2209 217.56 -76.2219 206.143 GPRESSURE: 737800 -78.177 -104.036 235.028 -100.323 -49.1009 -66.3975 175.889 -102.294 179.729 PRESSAVG: 737800 5.38555 -4.10599 2.04495 -4.10603 -33.1495 -5.13589 2.04496 -5.13588 15.4512 GPRESSAVG: 737800 6.01854 -5.19375 2.52109 -3.9769 -32.8167 -7.48197 4.22448 -3.74007 14.877 TIMING: 737800 CPU: 2299.22, 0.00311461/step Wall: 2299.22, 0.00311461/step, 3.68753 hours remaining, 234.039062 MB of memory in use. ENERGY: 737800 4015.7708 20425.2745 14370.3956 244.7539 -203656.6773 2927.9067 0.0000 0.0000 52177.3047 -109495.2712 299.8637 -161672.5758 -109135.8212 298.3730 -9.8637 17.4838 763597.9192 -4.1043 -3.9737 PRESSURE: 738000 41.0977 -51.2403 -179.158 -51.2399 -157.499 -42.9855 -179.158 -42.9863 -2.07921 GPRESSURE: 738000 -59.8008 96.1069 -181.298 -56.3296 -38.8013 -45.0137 -19.8858 58.37 73.5274 PRESSAVG: 738000 22.5743 -76.2238 -26.0056 -76.2239 17.6494 -24.2184 -26.0056 -24.2183 -2.40712 GPRESSAVG: 738000 22.4212 -73.8537 -26.2405 -76.722 17.5735 -20.9979 -27.1348 -26.6277 -2.11104 TIMING: 738000 CPU: 2299.84, 0.00312779/step Wall: 2299.84, 0.00312779/step, 3.70295 hours remaining, 234.039062 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: 738000 3912.7256 20468.4210 14429.8368 247.2549 -203651.7836 3015.4238 0.0000 0.0000 51935.5462 -109642.5754 298.4743 -161578.1215 -109278.0586 298.3221 -39.4935 -8.3582 762912.9053 12.6055 12.6279 PRESSURE: 738200 -190.568 89.9898 -43.5986 89.99 -85.9452 33.3294 -43.5987 33.3296 -82.4926 GPRESSURE: 738200 -14.6349 71.7033 15.068 135.302 -93.319 -26.219 -39.0565 101.868 -159.415 PRESSAVG: 738200 3.45385 -2.15569 -6.03594 -2.15573 -6.16832 -24.6578 -6.03598 -24.6578 6.23357 GPRESSAVG: 738200 3.9283 -2.26541 -7.52364 -0.894733 -7.92662 -26.46 -5.51437 -21.8923 6.17824 TIMING: 738200 CPU: 2300.46, 0.00311747/step Wall: 2300.46, 0.00311747/step, 3.69057 hours remaining, 234.039062 MB of memory in use. ENERGY: 738200 3953.1596 20503.5113 14477.0608 240.3320 -203357.2329 2676.1647 0.0000 0.0000 52086.4658 -109420.5387 299.3416 -161507.0045 -109060.0878 298.3752 -119.6687 -89.1229 764210.2086 1.1730 0.7266 PRESSURE: 738400 -167.883 19.7535 0.62906 19.7544 51.3957 -259.753 0.628817 -259.752 340.146 GPRESSURE: 738400 -62.9774 46.9821 17.434 -7.00959 74.9393 -228.819 -49.5893 -208.234 284.089 PRESSAVG: 738400 34.3934 -30.5911 51.1831 -30.591 -57.3185 -64.4962 51.183 -64.4962 8.44439 GPRESSAVG: 738400 34.6384 -31.9339 52.1703 -32.3354 -56.8859 -62.3624 50.7583 -67.222 7.68761 TIMING: 738400 CPU: 2301.09, 0.00311858/step Wall: 2301.09, 0.00311858/step, 3.6917 hours remaining, 234.039062 MB of memory in use. ENERGY: 738400 4043.7669 20548.1568 14539.8463 244.6035 -203654.7662 2853.4656 0.0000 0.0000 51903.7741 -109521.1531 298.2917 -161424.9272 -109170.8782 298.6074 74.5529 98.6838 762414.9777 -4.8269 -4.8533 PRESSURE: 738600 283.167 377.969 79.7721 377.968 107.659 116.733 79.7727 116.733 53.9744 GPRESSURE: 738600 342.832 266.772 -41.4861 434.453 104.924 181.099 88.5411 94.8936 74.3153 PRESSAVG: 738600 -3.07167 56.0256 25.2502 56.0256 13.639 -39.1815 25.2502 -39.1814 13.6831 GPRESSAVG: 738600 -3.55738 57.3903 25.729 54.8758 14.6669 -39.9347 24.814 -37.752 13.3644 TIMING: 738600 CPU: 2301.71, 0.00312766/step Wall: 2301.71, 0.00312766/step, 3.70228 hours remaining, 234.039062 MB of memory in use. ENERGY: 738600 4008.2231 20583.2075 14382.7052 255.0902 -203758.3783 3082.7304 0.0000 0.0000 52228.5065 -109217.9155 300.1579 -161446.4220 -108856.1950 299.0026 148.2668 174.0239 760321.5041 8.0835 8.1580 PRESSURE: 738800 -105.02 73.67 -290.142 73.671 -200.133 93.0895 -290.142 93.0892 63.8834 GPRESSURE: 738800 -153.901 105.479 -297.336 4.58922 -159.074 76.6504 -297.819 16.8979 170.028 PRESSAVG: 738800 49.2885 27.2224 -40.478 27.2224 -1.96607 -3.63799 -40.4781 -3.63799 -22.988 GPRESSAVG: 738800 48.7892 28.0624 -41.396 27.6179 -3.71737 -4.78123 -40.3576 -3.56275 -20.7235 TIMING: 738800 CPU: 2302.34, 0.00311835/step Wall: 2302.34, 0.00311835/step, 3.69109 hours remaining, 234.039062 MB of memory in use. ENERGY: 738800 3981.5590 20556.9027 14486.8690 239.4011 -203621.8710 2904.1017 0.0000 0.0000 51969.8778 -109483.1598 298.6716 -161453.0375 -109125.6938 298.8138 -80.4232 -47.6491 762080.5910 8.1115 8.1161 PRESSURE: 739000 170.255 -53.0199 171.447 -53.0203 59.9881 243.091 171.448 243.092 -68.893 GPRESSURE: 739000 111.263 -93.8934 254.533 -133.643 141.48 242.598 110.657 239.463 -5.60066 PRESSAVG: 739000 34.0445 20.0036 -3.25289 20.0036 -49.5551 -55.9835 -3.25293 -55.9835 17.916 GPRESSAVG: 739000 34.2222 18.352 -1.40379 20.4607 -48.6907 -56.6451 -1.89883 -55.4579 16.6915 TIMING: 739000 CPU: 2302.96, 0.00310283/step Wall: 2302.96, 0.00310283/step, 3.67254 hours remaining, 234.039062 MB of memory in use. ENERGY: 739000 3913.1187 20380.2986 14387.1095 255.4813 -203278.5189 2843.5864 0.0000 0.0000 51961.3268 -109537.5976 298.6225 -161498.9245 -109173.1108 298.5051 53.7833 82.3808 763109.8030 0.8018 0.7410 PRESSURE: 739200 -7.96076 115.694 11.5558 115.694 -34.0241 -143.31 11.5563 -143.31 -253.849 GPRESSURE: 739200 50.3782 163.501 -15.0828 119.34 -31.6419 -108.808 82.6691 -107.926 -248.398 PRESSAVG: 739200 17.7243 28.4922 -31.0321 28.4923 -55.5045 -17.8997 -31.0321 -17.8998 -2.79534 GPRESSAVG: 739200 18.5174 28.6286 -33.6671 28.2077 -55.297 -17.9822 -30.9987 -16.9546 -3.22333 TIMING: 739200 CPU: 2303.58, 0.00311773/step Wall: 2303.58, 0.00311773/step, 3.69001 hours remaining, 234.039062 MB of memory in use. ENERGY: 739200 3924.0237 20447.5389 14438.2574 249.1009 -202912.2616 2475.0956 0.0000 0.0000 52040.4174 -109337.8277 299.0770 -161378.2451 -108963.6144 298.4661 -98.6113 -76.5539 763434.2887 -13.5252 -13.3343 PRESSURE: 739400 153.607 124.169 -53.4519 124.17 -112.856 -603.738 -53.4517 -603.738 -133.631 GPRESSURE: 739400 155.672 72.9425 67.9756 114.966 20.6135 -592.389 23.371 -516.809 -170.04 PRESSAVG: 739400 53.0614 37.9563 -29.0367 37.9562 -33.2391 -58.1963 -29.0367 -58.1964 -11.4179 GPRESSAVG: 739400 53.7221 38.1649 -28.9941 38.3973 -33.2557 -56.3452 -27.7672 -60.2162 -11.5403 TIMING: 739400 CPU: 2304.2, 0.00311744/step Wall: 2304.2, 0.00311744/step, 3.68949 hours remaining, 234.039062 MB of memory in use. ENERGY: 739400 3967.5209 20438.0740 14352.7905 259.3303 -203099.9347 2787.0611 0.0000 0.0000 51962.5545 -109332.6034 298.6295 -161295.1579 -108964.8019 298.7473 -30.9601 2.0817 764345.9972 2.8015 2.9754 PRESSURE: 739600 -83.9923 116.247 57.0565 116.246 -4.23126 7.41333 57.0563 7.41255 76.3705 GPRESSURE: 739600 -80.7913 122.513 76.934 41.188 50.6228 -23.1476 39.4529 -110.901 98.5473 PRESSAVG: 739600 -2.68754 -22.2327 15.2306 -22.2327 -19.8643 -39.9649 15.2306 -39.965 10.7345 GPRESSAVG: 739600 -2.60224 -22.0833 17.2045 -20.7786 -20.1825 -42.7755 12.6525 -40.1059 11.2791 TIMING: 739600 CPU: 2304.83, 0.00312/step Wall: 2304.83, 0.00312/step, 3.69234 hours remaining, 234.039062 MB of memory in use. ENERGY: 739600 3885.7700 20638.2478 14430.3971 257.3651 -203129.3560 2698.0531 0.0000 0.0000 52070.3301 -109149.1928 299.2489 -161219.5228 -108789.1350 298.9171 -3.9510 22.7929 763729.6351 -3.9391 -3.8352 PRESSURE: 739800 101.693 -18.1769 -69.8043 -18.1763 199.451 170.388 -69.805 170.388 -83.2986 GPRESSURE: 739800 83.3745 -104.71 -84.3041 -110.239 230.254 45.6029 -138.527 165.699 -22.6819 PRESSAVG: 739800 -14.9667 27.4233 13.8687 27.4233 10.5404 -9.02752 13.8688 -9.02749 -20.1888 GPRESSAVG: 739800 -16.0931 27.9186 12.3984 23.5659 11.7275 -7.88777 16.3115 -8.61462 -20.1438 TIMING: 739800 CPU: 2305.46, 0.00313791/step Wall: 2305.46, 0.00313791/step, 3.71337 hours remaining, 234.039062 MB of memory in use. ENERGY: 739800 4044.8250 20452.4291 14439.8225 262.8176 -203648.2602 3092.6205 0.0000 0.0000 52300.7253 -109055.0203 300.5730 -161355.7455 -108701.2046 299.2445 72.6150 96.9821 763735.2156 -8.2050 -8.1698 PRESSURE: 740000 -2.47303 115.376 106.252 115.377 75.0615 -301.651 106.252 -301.652 -51.9755 GPRESSURE: 740000 -46.4711 133.935 -7.22527 131.311 143.043 -307.992 36.0824 -249.263 30.6444 PRESSAVG: 740000 16.7894 -13.4654 -10.9064 -13.4655 20.7371 10.656 -10.9065 10.656 -4.60677 GPRESSAVG: 740000 15.4459 -14.707 -11.1089 -10.4804 21.203 13.1451 -13.1308 10.7219 -3.69713 TIMING: 740000 CPU: 2306.09, 0.00314254/step Wall: 2306.09, 0.00314254/step, 3.71868 hours remaining, 234.039062 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: 740000 4078.2893 20699.6385 14488.1492 236.0475 -203610.2863 2985.8913 0.0000 0.0000 52027.1895 -109095.0810 299.0010 -161122.2705 -108736.8644 299.5103 6.8710 42.4054 764929.8287 10.9732 10.9839 PRESSURE: 740200 -47.8853 -6.57365 45.3222 -6.57404 -195.96 -42.3543 45.322 -42.3544 129.599 GPRESSURE: 740200 10.8013 37.3313 40.9836 67.6339 -190.907 136.895 210.544 -117.446 153.175 PRESSAVG: 740200 39.9834 10.1795 20.185 10.1795 -11.9024 -43.2083 20.185 -43.2083 15.8563 GPRESSAVG: 740200 42.6026 11.2087 20.5745 10.2499 -13.3453 -44.0961 20.5423 -44.4587 14.9978 TIMING: 740200 CPU: 2306.71, 0.00314323/step Wall: 2306.71, 0.00314323/step, 3.71932 hours remaining, 234.039062 MB of memory in use. ENERGY: 740200 4016.6424 20498.0737 14527.7023 239.4112 -203319.2190 2661.5272 0.0000 0.0000 52251.2256 -109124.6365 300.2885 -161375.8621 -108751.6033 299.3176 -38.0818 -8.9771 763381.6041 14.6458 14.7517 LDB: ============= START OF LOAD BALANCING ============== 2319.19 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2319.19 LDB: =============== DONE WITH MIGRATION ================ 2319.2 LDB: ============= START OF LOAD BALANCING ============== 2319.51 LDB: Largest compute 6972 load 0.031678 is 16.2% of average load 0.195006 LDB: Average compute 0.004387 is 2.2% of average load 0.195006 LDB: TIME 2319.51 LOAD: AVG 0.195006 MAX 0.215695 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.809 MB LDB: TIME 2319.51 LOAD: AVG 0.195006 MAX 0.215695 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.809 MB LDB: TIME 2319.51 LOAD: AVG 0.195006 MAX 0.215695 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.809 MB LDB: ============== END OF LOAD BALANCING =============== 2319.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2319.52 PRESSURE: 740400 539.789 59.6073 117.357 59.6074 -45.3169 -142.501 117.358 -142.502 179.996 GPRESSURE: 740400 433.54 158.366 177.994 -25.1877 27.4287 -101.597 98.7188 -178.751 280.763 PRESSAVG: 740400 2.8437 -4.89482 22.0446 -4.89483 -20.7964 -74.5833 22.0445 -74.5833 -21.7527 GPRESSAVG: 740400 1.08142 -4.75712 22.1061 -8.08914 -20.1755 -74.0315 22.7711 -72.9878 -20.3976 TIMING: 740400 CPU: 2307.35, 0.00319932/step Wall: 2307.35, 0.00319932/step, 3.7855 hours remaining, 234.472656 MB of memory in use. ENERGY: 740400 3960.6474 20704.9462 14458.5579 235.7387 -203698.0945 3135.0387 0.0000 0.0000 51986.1896 -109216.9760 298.7653 -161203.1655 -108864.2755 298.8679 224.8226 247.2440 764281.5935 -13.2351 -13.1639 PRESSURE: 740600 50.9408 105.41 -83.0382 105.411 84.9782 372.647 -83.0383 372.647 162.262 GPRESSURE: 740600 125.541 -26.1599 -98.1019 163.609 106.136 307.025 -178.422 280.831 166.691 PRESSAVG: 740600 37.7226 21.9644 -17.824 21.9644 -12.7105 19.1754 -17.824 19.1754 -14.056 GPRESSAVG: 740600 40.2163 22.0185 -18.1168 23.8511 -13.2703 18.1186 -18.3464 18.3553 -15.4974 TIMING: 740600 CPU: 2307.98, 0.00311896/step Wall: 2307.98, 0.00311896/step, 3.69025 hours remaining, 234.675781 MB of memory in use. ENERGY: 740600 4030.5838 20521.5925 14457.8687 256.0605 -203613.7462 3080.2099 0.0000 0.0000 52219.6532 -109047.7775 300.1071 -161267.4307 -108684.0850 299.2519 99.3936 132.7894 764308.9170 3.6521 3.8162 PRESSURE: 740800 155.646 -69.8194 192.158 -69.8194 65.3685 109.173 192.157 109.173 -94.0938 GPRESSURE: 740800 219.704 -24.0995 118.595 -107.582 88.5053 121.616 228.698 56.8609 -87.0426 PRESSAVG: 740800 18.8762 4.41872 50.2716 4.41875 34.9607 3.05727 50.2716 3.0573 3.4062 GPRESSAVG: 740800 18.2154 3.89884 49.316 3.2818 35.6913 2.59653 50.2602 5.05264 3.36514 TIMING: 740800 CPU: 2308.6, 0.00312236/step Wall: 2308.6, 0.00312236/step, 3.6941 hours remaining, 234.675781 MB of memory in use. ENERGY: 740800 4038.6728 20591.0546 14457.9382 231.1160 -203460.4172 3070.5717 0.0000 0.0000 51851.6198 -109219.4441 297.9920 -161071.0639 -108869.1244 299.1090 42.3069 73.7224 762734.7288 19.0810 19.0906 PRESSURE: 741000 -133.289 27.5485 -337.138 27.5482 -426.999 4.40102 -337.139 4.40072 -94.8367 GPRESSURE: 741000 -141.09 -52.3148 -281.719 66.6624 -295.23 52.9736 -284.896 62.8331 -144.656 PRESSAVG: 741000 -6.30357 16.8898 36.5865 16.8898 11.076 -4.5326 36.5865 -4.53266 -6.23439 GPRESSAVG: 741000 -7.47069 17.5456 37.7091 16.0056 10.6397 -3.97451 37.6442 -8.05817 -5.57292 TIMING: 741000 CPU: 2309.22, 0.0031137/step Wall: 2309.22, 0.0031137/step, 3.68368 hours remaining, 234.675781 MB of memory in use. ENERGY: 741000 4084.2853 20537.7574 14471.4286 251.3561 -203381.0122 2904.3650 0.0000 0.0000 52103.8063 -109028.0134 299.4413 -161131.8198 -108672.3014 299.2566 -218.3749 -193.6588 763123.0767 -0.4873 -0.8013 PRESSURE: 741200 -344.185 -185.357 -233.962 -185.357 -109.684 37.1749 -233.962 37.1762 103.767 GPRESSURE: 741200 -358.388 -126.371 -250.472 -246.101 -77.067 -4.88445 -219.967 48.6115 166.437 PRESSAVG: 741200 26.5598 -80.3861 12.2914 -80.3862 -19.1207 -14.7981 12.2913 -14.798 -23.8326 GPRESSAVG: 741200 26.422 -81.3942 12.1514 -77.6634 -18.9798 -17.0594 11.9288 -12.0894 -24.3503 TIMING: 741200 CPU: 2309.85, 0.00312899/step Wall: 2309.85, 0.00312898/step, 3.70159 hours remaining, 234.675781 MB of memory in use. ENERGY: 741200 3976.9300 20585.7394 14492.3237 250.7340 -203011.8799 2625.1816 0.0000 0.0000 51880.3743 -109200.5970 298.1572 -161080.9713 -108841.8465 298.6444 -116.7008 -89.6729 763570.2127 -5.4645 -5.6360 PRESSURE: 741400 -231.845 -50.1649 20.3685 -50.1648 -485.302 193.153 20.3681 193.155 -543.757 GPRESSURE: 741400 -201.676 -38.4169 -85.1112 -113.211 -481.871 200.991 127.282 144.079 -497.516 PRESSAVG: 741400 -7.2366 -9.52107 -38.8369 -9.52098 55.2644 11.6133 -38.8368 11.6132 -9.71974 GPRESSAVG: 741400 -6.4428 -9.04252 -37.8569 -9.38178 56.5242 13.4866 -40.8821 9.97632 -11.3083 TIMING: 741400 CPU: 2310.48, 0.00312322/step Wall: 2310.48, 0.00312323/step, 3.6946 hours remaining, 234.675781 MB of memory in use. ENERGY: 741400 4096.5031 20602.7114 14465.0309 253.3381 -203156.5686 2533.9083 0.0000 0.0000 52076.2218 -109128.8551 299.2828 -161205.0769 -108772.1846 298.9200 -420.3011 -393.6877 764000.7223 12.7694 12.9244 PRESSURE: 741600 -687.864 131.144 -171.867 131.144 -303.177 -101.601 -171.867 -101.602 -133.689 GPRESSURE: 741600 -552.133 178.007 -193.923 151.653 -313.642 -159.447 -107.169 42.281 -195.03 PRESSAVG: 741600 -16.7481 -22.2362 -1.5067 -22.2362 -27.9985 -22.8056 -1.50669 -22.8056 11.9056 GPRESSAVG: 741600 -16.6645 -22.6951 -2.76335 -23.6994 -30.7581 -23.1073 0.489483 -22.2951 14.3331 TIMING: 741600 CPU: 2311.1, 0.00312181/step Wall: 2311.1, 0.00312181/step, 3.69275 hours remaining, 234.675781 MB of memory in use. ENERGY: 741600 4037.0274 20617.1364 14455.1759 252.1007 -202815.4371 2317.5304 0.0000 0.0000 52098.2722 -109038.1943 299.4095 -161136.4665 -108679.3904 299.1874 -374.9101 -353.6015 765727.6940 -10.9470 -11.0298 PRESSURE: 741800 49.3471 -48.805 206.953 -48.8046 72.4835 15.9984 206.954 15.9977 -351.856 GPRESSURE: 741800 13.0104 -127.24 211.742 -7.49773 102.607 52.8558 83.6427 93.6823 -251.585 PRESSAVG: 741800 -0.120531 -45.9752 5.76647 -45.9752 -16.0629 -34.3912 5.7665 -34.3913 3.8732 GPRESSAVG: 741800 -1.75518 -46.1481 5.35009 -45.2908 -15.1762 -33.5531 4.42825 -35.1751 4.53706 TIMING: 741800 CPU: 2311.72, 0.00311235/step Wall: 2311.72, 0.00311235/step, 3.68139 hours remaining, 234.675781 MB of memory in use. ENERGY: 741800 4000.8028 20621.0202 14487.4692 250.6201 -203376.7908 2979.7695 0.0000 0.0000 52292.0218 -108745.0873 300.5230 -161037.1091 -108380.7849 299.8093 -76.6752 -45.3228 763457.1426 -4.1034 -4.1314 PRESSURE: 742000 -254.062 -14.7356 39.0478 -14.7363 -167.998 106.319 39.0483 106.319 145.181 GPRESSURE: 742000 -173.833 -5.54357 57.7155 80.8291 -181.294 46.0552 -26.1261 43.1582 153.057 PRESSAVG: 742000 18.3616 6.51217 11.6113 6.51218 -5.40922 43.0765 11.6113 43.0765 -4.96277 GPRESSAVG: 742000 19.8892 7.15981 13.5858 5.45043 -6.04797 41.5184 11.8835 42.4567 -5.76407 TIMING: 742000 CPU: 2312.35, 0.00312609/step Wall: 2312.35, 0.00312609/step, 3.69747 hours remaining, 234.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 742000 4023.9501 20650.5473 14434.1194 250.6373 -202978.6941 2812.4895 0.0000 0.0000 52229.5376 -108577.4130 300.1639 -160806.9505 -108217.2134 300.5140 -92.2932 -67.3570 765438.6312 2.6632 2.6924 PRESSURE: 742200 -44.0814 49.0297 86.5102 49.0293 141.971 46.7074 86.5097 46.7082 -14.7198 GPRESSURE: 742200 -43.5823 -5.80499 49.1431 120.202 171.981 49.6411 84.5186 115.369 29.3353 PRESSAVG: 742200 -17.2686 4.93174 11.7179 4.93175 8.38349 55.9335 11.7179 55.9335 11.352 GPRESSAVG: 742200 -16.6838 2.39544 11.0873 7.18835 7.89542 57.3733 11.3919 57.4529 10.9535 TIMING: 742200 CPU: 2312.97, 0.00310911/step Wall: 2312.97, 0.00310911/step, 3.67721 hours remaining, 234.675781 MB of memory in use. ENERGY: 742200 4056.7382 20655.0244 14482.8785 257.0418 -203277.7243 3102.9793 0.0000 0.0000 52115.8281 -108607.2340 299.5104 -160723.0621 -108251.9809 300.3699 27.7233 52.5779 764133.3463 0.8223 0.7217 PRESSURE: 742400 57.5407 -271.739 -106.537 -271.739 -199.834 139.132 -106.538 139.132 332.293 GPRESSURE: 742400 -5.32706 -211.993 -22.4816 -232.285 -90.6937 97.9695 -1.7148 58.0744 374.232 PRESSAVG: 742400 -19.9896 -7.99011 -27.7066 -7.99005 -29.5827 24.0561 -27.7066 24.0561 -2.7368 GPRESSAVG: 742400 -21.4083 -6.73542 -27.9701 -7.49333 -28.2866 24.2371 -27.7631 23.937 -2.0292 TIMING: 742400 CPU: 2313.59, 0.003129/step Wall: 2313.59, 0.003129/step, 3.70057 hours remaining, 234.675781 MB of memory in use. ENERGY: 742400 4036.8378 20597.0702 14476.6210 266.1057 -202719.8194 2701.7811 0.0000 0.0000 51902.4451 -108738.9585 298.2841 -160641.4036 -108374.0572 299.9597 63.3331 92.7371 764292.8208 -17.4364 -17.2414 PRESSURE: 742600 -103.726 -91.4316 -184.927 -91.4319 -363.203 -179.703 -184.926 -179.703 -260.62 GPRESSURE: 742600 7.4415 -31.9375 -114.796 -107.514 -347.775 -191.284 -168.669 -200.922 -303.612 PRESSAVG: 742600 1.30256 -88.7357 -25.7165 -88.7358 -8.03469 -24.8495 -25.7165 -24.8495 -20.0566 GPRESSAVG: 742600 3.08561 -88.3214 -24.7285 -89.6942 -9.91462 -25.2148 -24.3274 -25.7282 -20.1283 TIMING: 742600 CPU: 2314.22, 0.00313965/step Wall: 2314.22, 0.00313965/step, 3.71298 hours remaining, 234.675781 MB of memory in use. ENERGY: 742600 4016.7629 20520.8950 14492.2133 231.8536 -203275.3968 3168.6769 0.0000 0.0000 51903.3891 -108941.6060 298.2895 -160844.9951 -108568.7242 300.0595 -242.5162 -214.6482 763804.4889 -8.9296 -8.9858 PRESSURE: 742800 63.2592 6.42821 -120.896 6.4274 203.157 28.7635 -120.896 28.7632 226.663 GPRESSURE: 742800 85.2569 33.1702 -138.874 -107.922 245.908 70.144 -20.5634 33.5493 232.22 PRESSAVG: 742800 -4.73002 -8.77488 7.74866 -8.77491 -14.7957 -18.6023 7.74867 -18.6023 1.10392 GPRESSAVG: 742800 -5.39194 -7.72871 5.93952 -9.8854 -14.1201 -17.4352 8.23971 -19.1036 1.06391 TIMING: 742800 CPU: 2314.85, 0.00311703/step Wall: 2314.85, 0.00311703/step, 3.68606 hours remaining, 234.675781 MB of memory in use. ENERGY: 742800 4030.9101 20616.6201 14413.4287 244.3688 -203496.9429 2937.6038 0.0000 0.0000 52182.4369 -109071.5746 299.8932 -161254.0115 -108714.0148 298.8340 164.3598 187.7949 763686.3894 -6.1406 -6.1494 PRESSURE: 743000 -242.445 113.79 -92.9593 113.789 -337.547 96.7186 -92.9602 96.718 -369.556 GPRESSURE: 743000 -189.793 206.934 -71.604 168.244 -281.108 140.927 -123.398 -11.8558 -398.954 PRESSAVG: 743000 12.397 -12.0261 1.38649 -12.0262 19.092 -28.2247 1.38644 -28.2247 2.21339 GPRESSAVG: 743000 11.1036 -13.0206 2.35765 -10.1343 20.6857 -29.548 -0.90648 -30.2072 1.99493 TIMING: 743000 CPU: 2315.47, 0.00313845/step Wall: 2315.47, 0.00313845/step, 3.71122 hours remaining, 234.675781 MB of memory in use. ENERGY: 743000 3972.5988 20503.3369 14427.1921 230.9826 -203011.8653 2553.1888 0.0000 0.0000 52286.7527 -109037.8134 300.4927 -161324.5661 -108678.5882 299.3451 -316.5160 -289.9513 764432.0496 11.2341 11.2614 PRESSURE: 743200 8.93293 -32.4509 333.367 -32.4502 -83.4047 -53.9019 333.367 -53.9021 195.206 GPRESSURE: 743200 24.182 26.2165 378.832 -9.21617 -50.2319 -48.2823 315.538 7.24093 223.039 PRESSAVG: 743200 -10.1789 -13.3905 34.1475 -13.3905 -28.8289 -12.1408 34.1476 -12.1409 39.2729 GPRESSAVG: 743200 -10.577 -14.4088 32.2902 -10.8281 -29.0703 -10.9003 36.0731 -7.79573 40.4072 TIMING: 743200 CPU: 2316.1, 0.00313983/step Wall: 2316.1, 0.00313983/step, 3.71267 hours remaining, 234.675781 MB of memory in use. ENERGY: 743200 3994.5827 20422.9923 14420.4294 259.7304 -203409.2628 3049.8372 0.0000 0.0000 51919.7916 -109341.8992 298.3838 -161261.6908 -108979.8144 298.9858 40.2448 65.6632 763737.3360 0.0884 0.2533 PRESSURE: 743400 22.3066 231.467 48.5949 231.467 128.806 -6.28632 48.5954 -6.28667 -98.4197 GPRESSURE: 743400 33.118 225.358 160.107 234.017 144.656 16.6113 -63.9948 14.3466 -36.4456 PRESSAVG: 743400 5.93483 -19.1514 -19.2123 -19.1514 -1.66368 7.25627 -19.2123 7.25625 -1.35348 GPRESSAVG: 743400 7.08456 -17.5476 -15.782 -21.4338 -1.98751 6.72104 -20.9733 5.56038 -2.49711 TIMING: 743400 CPU: 2316.73, 0.00314638/step Wall: 2316.73, 0.00314638/step, 3.72025 hours remaining, 234.675781 MB of memory in use. ENERGY: 743400 3958.1622 20365.8850 14386.3953 233.7761 -203200.2361 2668.9792 0.0000 0.0000 51983.9127 -109603.1256 298.7523 -161587.0383 -109234.5350 298.3605 17.5644 47.1095 762281.7778 0.9726 0.8666 PRESSURE: 743600 -204.059 -112.579 -149.807 -112.578 -559.67 -18.9338 -149.806 -18.9343 -455.935 GPRESSURE: 743600 -186.427 -120.661 -261.862 -89.3864 -543.978 -3.87108 -135.325 -66.0917 -403.996 PRESSAVG: 743600 -19.8028 -0.934388 -35.1076 -0.934298 -43.7289 -6.41623 -35.1076 -6.41628 -7.69465 GPRESSAVG: 743600 -20.0985 -1.61087 -37.8848 -2.48529 -44.3231 -7.5443 -32.7535 -7.12179 -6.62914 TIMING: 743600 CPU: 2317.36, 0.00313273/step Wall: 2317.36, 0.00313273/step, 3.70393 hours remaining, 234.675781 MB of memory in use. ENERGY: 743600 3990.5731 20596.6373 14401.0914 265.7635 -203196.5900 2487.3790 0.0000 0.0000 51907.7846 -109547.3612 298.3148 -161455.1458 -109189.9452 298.2117 -406.5544 -378.1335 764573.7998 -23.7421 -23.6836 PRESSURE: 743800 -156.571 -147.151 305.94 -147.15 126.453 -11.1102 305.939 -11.1108 -264.436 GPRESSURE: 743800 -78.2228 -31.9515 332.838 -161.986 33.5549 105.734 260.619 8.4726 -181.366 PRESSAVG: 743800 -36.4312 -36.7222 20.1781 -36.7221 23.4019 44.0409 20.1781 44.0409 4.44795 GPRESSAVG: 743800 -35.8479 -37.733 20.618 -34.3101 23.8599 45.2983 18.8916 44.8454 2.97845 TIMING: 743800 CPU: 2317.98, 0.00313677/step Wall: 2317.98, 0.00313677/step, 3.70853 hours remaining, 234.675781 MB of memory in use. ENERGY: 743800 3993.0969 20461.8361 14445.4861 249.5960 -203094.3048 2452.6956 0.0000 0.0000 51931.8500 -109559.7442 298.4531 -161491.5942 -109196.9341 297.8728 -98.1848 -75.3447 763357.1068 -2.8604 -3.0032 PRESSURE: 744000 -191.501 49.0043 -29.8474 49.0042 -106.505 93.6773 -29.8473 93.6775 28.7521 GPRESSURE: 744000 -163.369 -0.540125 55.376 -27.8006 -117.973 95.2304 -138.871 7.04275 88.8918 PRESSAVG: 744000 -24.9411 4.41679 49.0011 4.41683 1.29729 14.8855 49.0011 14.8854 4.53558 GPRESSAVG: 744000 -24.8836 5.21954 49.3973 1.46232 1.38553 14.3734 48.8762 14.908 5.17383 TIMING: 744000 CPU: 2318.61, 0.00311925/step Wall: 2318.61, 0.00311925/step, 3.68764 hours remaining, 234.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 744000 4053.1582 20410.9478 14411.9322 236.1571 -203420.2241 2907.2960 0.0000 0.0000 52067.3335 -109333.3993 299.2317 -161400.7328 -108975.8473 298.7024 -89.7512 -64.1500 763888.8248 -6.3694 -6.1081 PRESSURE: 744200 -113.375 138.201 62.2854 138.2 -150.17 -164.425 62.286 -164.424 -335.829 GPRESSURE: 744200 -39.7016 221.395 83.5248 98.3549 -53.8241 -200.404 114.964 -66.1822 -396.357 PRESSAVG: 744200 -3.9125 -3.83232 -19.7515 -3.83233 61.0145 45.0657 -19.7515 45.0656 22.3423 GPRESSAVG: 744200 -4.80015 -2.5531 -18.1309 -3.10429 61.3922 44.7902 -20.6267 44.0274 23.0424 TIMING: 744200 CPU: 2319.23, 0.00312994/step Wall: 2319.23, 0.00312994/step, 3.70011 hours remaining, 234.675781 MB of memory in use. ENERGY: 744200 4007.4511 20583.7930 14385.2948 242.9838 -203094.0926 2753.4261 0.0000 0.0000 51877.1772 -109243.9666 298.1389 -161121.1438 -108880.7521 298.5446 -199.7911 -163.2942 763436.8686 26.4814 26.5448 LDB: ============= START OF LOAD BALANCING ============== 2331.71 LDB: ============== END OF LOAD BALANCING =============== 2331.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2331.71 LDB: ============= START OF LOAD BALANCING ============== 2332.03 LDB: Largest compute 6972 load 0.030995 is 15.9% of average load 0.194888 LDB: Average compute 0.004387 is 2.3% of average load 0.194888 LDB: TIME 2332.03 LOAD: AVG 0.194888 MAX 0.218641 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.406 MB LDB: TIME 2332.03 LOAD: AVG 0.194888 MAX 0.218641 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.609 MB LDB: TIME 2332.03 LOAD: AVG 0.194888 MAX 0.21631 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.609 MB LDB: ============== END OF LOAD BALANCING =============== 2332.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2332.04 PRESSURE: 744400 -127.875 -126.163 -127.551 -126.163 0.977408 178.333 -127.552 178.333 341.563 GPRESSURE: 744400 -62.3796 -97.805 -117.403 -123.293 18.3624 217.859 -110.097 153.127 343.675 PRESSAVG: 744400 -3.20333 27.6187 72.1454 27.6187 1.19315 -16.5196 72.1454 -16.5197 -22.7794 GPRESSAVG: 744400 -1.72498 26.8297 70.8867 28.7531 0.812938 -16.9151 74.3648 -16.4949 -24.1324 TIMING: 744400 CPU: 2319.87, 0.00317678/step Wall: 2319.87, 0.00317678/step, 3.75531 hours remaining, 233.250000 MB of memory in use. ENERGY: 744400 3971.2582 20452.0518 14369.9205 241.6673 -203201.3624 3047.5054 0.0000 0.0000 51888.3296 -109230.6297 298.2029 -161118.9592 -108871.4186 298.9716 71.5552 99.8859 764581.6104 -8.2632 -8.3481 PRESSURE: 744600 275.443 51.8884 -105.167 51.8883 -109.636 -37.777 -105.167 -37.7757 -9.6026 GPRESSURE: 744600 249.813 37.1886 -83.3537 34.246 -48.4854 22.3568 -36.3884 19.7022 28.2971 PRESSAVG: 744600 -49.7633 -53.9698 21.2875 -53.9697 11.7641 -36.7915 21.2875 -36.7915 -7.02341 GPRESSAVG: 744600 -51.168 -55.1461 20.9345 -53.5138 11.4247 -36.4894 20.9699 -36.3721 -5.45402 TIMING: 744600 CPU: 2320.49, 0.00311525/step Wall: 2320.49, 0.00311525/step, 3.6824 hours remaining, 233.453125 MB of memory in use. ENERGY: 744600 3955.0905 20471.5700 14466.6690 260.7508 -203358.0129 2819.8864 0.0000 0.0000 52159.0082 -109225.0381 299.7585 -161384.0463 -108858.0770 298.9024 52.0681 76.5414 763631.4084 -15.0075 -15.0658 PRESSURE: 744800 78.3725 -202.982 88.1849 -202.982 -124.198 306.223 88.1858 306.223 -257.819 GPRESSURE: 744800 65.324 -195.23 61.6754 -188.008 0.173837 300.003 65.3825 316.599 -290.542 PRESSAVG: 744800 11.8826 -24.8845 14.8 -24.8846 -20.0138 -28.9185 14.8 -28.9185 43.281 GPRESSAVG: 744800 12.5826 -24.7393 14.3574 -24.4357 -18.8621 -27.2147 13.6361 -30.4035 41.4269 TIMING: 744800 CPU: 2321.12, 0.00313517/step Wall: 2321.12, 0.00313517/step, 3.70577 hours remaining, 233.453125 MB of memory in use. ENERGY: 744800 3963.5473 20493.2257 14438.4367 243.7270 -203570.2709 2884.6689 0.0000 0.0000 52012.9818 -109533.6835 298.9193 -161546.6653 -109172.2422 298.5761 -101.2149 -75.0148 763807.4740 11.7166 11.7158 PRESSURE: 745000 98.3834 123.908 277.97 123.908 -288.08 -52.6089 277.969 -52.6076 122.956 GPRESSURE: 745000 58.0612 59.8069 197.004 13.318 -221.619 -103.882 243.236 -4.64415 171.326 PRESSAVG: 745000 2.6368 37.6454 16.1189 37.6454 -10.2707 -4.82396 16.1189 -4.82389 -27.1988 GPRESSAVG: 745000 1.72407 37.507 17.2555 36.4149 -10.2003 -6.58176 15.1119 -4.70357 -26.5128 TIMING: 745000 CPU: 2321.74, 0.00311282/step Wall: 2321.74, 0.00311282/step, 3.67917 hours remaining, 233.453125 MB of memory in use. ENERGY: 745000 4022.4993 20714.9916 14424.8265 243.6960 -203291.5334 2812.2026 0.0000 0.0000 51854.0968 -109219.2207 298.0062 -161073.3175 -108868.6009 298.1108 -22.2469 2.5894 763399.4718 -11.6109 -11.6630 PRESSURE: 745200 -404.245 7.04557 50.5833 7.04547 -340.26 -163.849 50.5821 -163.848 -459.707 GPRESSURE: 745200 -392.539 4.3347 93.4355 -59.7335 -290.756 -74.6765 84.0709 -140.148 -428.905 PRESSAVG: 745200 22.5535 16.1098 39.3097 16.1097 -31.9408 -36.6557 39.3097 -36.6556 7.62746 GPRESSAVG: 745200 21.4371 17.0857 38.8325 16.4002 -32.0977 -37.3969 39.2912 -35.1123 8.5892 TIMING: 745200 CPU: 2322.37, 0.00312537/step Wall: 2322.37, 0.00312537/step, 3.69384 hours remaining, 233.453125 MB of memory in use. ENERGY: 745200 4043.4959 20443.6727 14410.3816 252.7530 -202843.8740 2356.5001 0.0000 0.0000 52112.9188 -109224.1518 299.4937 -161337.0707 -108871.5521 298.8697 -401.4039 -370.7334 763951.6835 -0.5866 -0.6905 PRESSURE: 745400 -44.9173 -103.974 -65.8509 -103.974 310.127 91.2894 -65.8512 91.2878 458.866 GPRESSURE: 745400 114.824 -21.9517 -88.4737 -121.237 320.27 107.825 -38.8203 97.2962 349.548 PRESSAVG: 745400 -20.0973 5.54088 -5.48101 5.5409 34.7168 33.8707 -5.48098 33.8707 19.2016 GPRESSAVG: 745400 -18.5568 4.78924 -5.65767 7.393 34.4798 34.7188 -3.91345 33.3185 17.9388 TIMING: 745400 CPU: 2322.99, 0.00310387/step Wall: 2322.99, 0.00310387/step, 3.66825 hours remaining, 233.453125 MB of memory in use. ENERGY: 745400 4049.7700 20563.6700 14474.6053 245.0161 -203759.0720 3154.0708 0.0000 0.0000 52233.9978 -109037.9420 300.1895 -161271.9398 -108684.0719 299.4027 241.3587 261.5475 761056.1113 11.2737 11.2873 PRESSURE: 745600 -196.613 66.9346 128.787 66.9347 -364.141 -159.865 128.787 -159.864 -206.106 GPRESSURE: 745600 -139.251 -27.9431 221.506 63.7097 -333.328 -126.088 141.781 -188.014 -180.65 PRESSAVG: 745600 10.2247 -18.3958 0.092541 -18.3957 3.472 -61.0513 0.0924704 -61.0513 -21.2718 GPRESSAVG: 745600 9.74831 -19.6604 0.601684 -20.5327 3.3487 -60.1231 0.721736 -61.9638 -20.4777 TIMING: 745600 CPU: 2323.61, 0.0031256/step Wall: 2323.61, 0.0031256/step, 3.69376 hours remaining, 233.453125 MB of memory in use. ENERGY: 745600 4072.7446 20655.4723 14453.8509 251.4224 -203324.0320 2861.6712 0.0000 0.0000 52086.4022 -108942.4683 299.3413 -161028.8705 -108581.7228 299.8913 -255.6199 -217.7432 760457.5787 -2.5250 -2.4602 PRESSURE: 745800 -138.404 28.7104 269.007 28.7102 -98.0412 -81.6347 269.007 -81.636 100.885 GPRESSURE: 745800 -133.883 -28.0551 175.859 52.9129 -91.6576 -57.8286 209.01 -101.064 184.064 PRESSAVG: 745800 14.1115 -17.7686 -13.0056 -17.7686 32.1426 -50.6921 -13.0056 -50.6921 13.8012 GPRESSAVG: 745800 14.6585 -16.7238 -12.5461 -15.6136 32.1639 -51.8368 -14.8135 -49.5929 13.2391 TIMING: 745800 CPU: 2324.23, 0.00309843/step Wall: 2324.23, 0.00309843/step, 3.66148 hours remaining, 233.453125 MB of memory in use. ENERGY: 745800 4010.2295 20664.0264 14439.3105 261.9295 -203364.1407 2841.3162 0.0000 0.0000 51987.9575 -109159.3712 298.7755 -161147.3286 -108794.1489 299.4362 -45.1868 -13.8255 762633.0281 20.0184 20.0205 PRESSURE: 746000 -268.066 -5.60289 -22.8298 -5.60282 -298.41 -113.225 -22.8296 -113.225 -161.133 GPRESSURE: 746000 -236.196 70.4126 -40.6858 -89.3024 -304.608 -111.265 -7.35625 -155.857 -116.708 PRESSAVG: 746000 -18.1843 -29.2454 26.2037 -29.2454 18.8312 -22.5143 26.2037 -22.5144 5.26028 GPRESSAVG: 746000 -17.9594 -29.9277 26.2162 -29.6923 17.2896 -22.9611 24.7134 -23.8888 5.93989 TIMING: 746000 CPU: 2324.86, 0.00311154/step Wall: 2324.86, 0.00311154/step, 3.67681 hours remaining, 233.453125 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: 746000 3930.7390 20621.4613 14442.8314 236.3746 -203234.4432 2689.0069 0.0000 0.0000 52088.1803 -109225.8498 299.3515 -161314.0301 -108860.0452 299.0972 -242.5364 -219.1706 763900.8244 1.9691 1.7567 PRESSURE: 746200 -80.3122 -28.9892 -128.343 -28.989 109.354 -230.273 -128.344 -230.273 215.378 GPRESSURE: 746200 24.6841 -114.322 -89.9042 31.6339 100.899 -248.26 -183.854 -143.303 195.03 PRESSAVG: 746200 5.19697 -79.4203 -14.2861 -79.4204 10.7985 -68.4404 -14.2861 -68.4404 2.47762 GPRESSAVG: 746200 4.933 -78.6939 -12.3552 -79.6292 12.3531 -69.3817 -14.0031 -64.5629 1.35239 TIMING: 746200 CPU: 2325.48, 0.00313682/step Wall: 2325.48, 0.00313682/step, 3.7065 hours remaining, 233.453125 MB of memory in use. ENERGY: 746200 4039.1798 20606.5830 14446.3027 271.0961 -203485.1891 2914.4054 0.0000 0.0000 51853.0880 -109354.5341 298.0004 -161207.6221 -108995.0040 298.8056 81.4735 106.8709 763088.0334 6.1577 6.2128 PRESSURE: 746400 322.289 -67.5638 -127.6 -67.5642 -80.8654 -1.12884 -127.6 -1.12797 48.9621 GPRESSURE: 746400 309.829 -139.422 -101.041 -12.6698 49.8079 29.7899 -119.462 -52.8677 24.8738 PRESSAVG: 746400 -64.8686 1.24262 -29.3554 1.24267 86.1616 -85.3454 -29.3554 -85.3453 -24.5549 GPRESSAVG: 746400 -63.8607 -0.464302 -33.2307 0.308666 85.7689 -83.366 -26.7125 -88.5544 -24.8862 TIMING: 746400 CPU: 2326.11, 0.00312712/step Wall: 2326.11, 0.00312712/step, 3.69487 hours remaining, 233.453125 MB of memory in use. ENERGY: 746400 4015.0916 20639.6221 14480.4488 258.7059 -203545.0804 2963.7615 0.0000 0.0000 51751.3436 -109436.1069 297.4157 -161187.4505 -109063.7314 298.4392 96.7954 128.1702 762908.4178 -1.0873 -0.9927 PRESSURE: 746600 -86.9876 -193.506 4.00958 -193.506 356.529 65.9996 4.00934 66.0003 29.6284 GPRESSURE: 746600 -71.0874 -54.1832 19.8251 -60.354 382.947 62.1212 -38.0775 -29.3476 73.2858 PRESSAVG: 746600 -17.8381 -22.3966 4.62074 -22.3965 25.3303 -32.403 4.62075 -32.403 1.40567 GPRESSAVG: 746600 -19.5152 -20.2214 6.18206 -21.2403 26.0118 -33.6216 4.13464 -29.7105 2.43756 TIMING: 746600 CPU: 2326.73, 0.00313004/step Wall: 2326.73, 0.00313004/step, 3.69814 hours remaining, 233.453125 MB of memory in use. ENERGY: 746600 3964.0826 20601.4840 14470.2022 250.5050 -202813.1226 2479.4527 0.0000 0.0000 51744.7515 -109302.6447 297.3778 -161047.3961 -108934.5665 298.4972 99.7232 128.3818 762876.7134 2.9660 2.9781 PRESSURE: 746800 -341.479 4.71092 -87.8726 4.71033 -284.021 332.532 -87.8727 332.533 -132.324 GPRESSURE: 746800 -274.294 -47.1648 -100.272 -16.4635 -230.643 307.73 -49.4778 269.647 -156.58 PRESSAVG: 746800 -4.71722 -11.7569 -15.3738 -11.7569 -33.8796 -19.7359 -15.3738 -19.7358 -9.4354 GPRESSAVG: 746800 -2.91743 -12.9619 -15.9175 -12.6698 -35.7535 -20.4464 -14.4805 -22.4206 -9.45824 TIMING: 746800 CPU: 2327.36, 0.00313524/step Wall: 2327.36, 0.00313524/step, 3.70412 hours remaining, 233.453125 MB of memory in use. ENERGY: 746800 3991.7031 20468.9093 14423.0635 261.5708 -203263.7266 2725.0736 0.0000 0.0000 52155.1311 -109238.2752 299.7363 -161393.4063 -108869.6446 298.4685 -252.6085 -220.5058 763475.0168 -16.0107 -16.0431 PRESSURE: 747000 228.489 140.829 -37.4952 140.829 151.016 40.4606 -37.4962 40.4603 380.419 GPRESSURE: 747000 287.791 39.5038 -79.2955 105.351 247.275 100.785 -92.3408 184.386 289.063 PRESSAVG: 747000 33.7136 -31.8906 -0.233968 -31.8906 -47.5422 -15.8751 -0.233937 -15.8752 -23.8717 GPRESSAVG: 747000 33.3709 -30.8512 -0.963544 -32.8688 -46.004 -14.9737 -0.712381 -13.6986 -25.1074 TIMING: 747000 CPU: 2327.98, 0.00311408/step Wall: 2327.98, 0.00311408/step, 3.67893 hours remaining, 233.453125 MB of memory in use. ENERGY: 747000 4003.9067 20627.8636 14491.9074 269.8125 -203502.4780 3043.5629 0.0000 0.0000 51849.7198 -109215.7051 297.9811 -161065.4250 -108863.6689 298.9864 253.3083 274.7100 763983.8422 -12.5668 -12.5802 PRESSURE: 747200 -278.403 268.042 -42.8406 268.042 -243.727 -175.575 -42.8411 -175.575 -16.0205 GPRESSURE: 747200 -201.203 253.289 -86.9854 192.49 -229.717 -256.388 85.9683 -274.318 -29.4016 PRESSAVG: 747200 -16.1088 13.4777 17.7895 13.4777 44.8521 -41.7476 17.7896 -41.7476 6.42113 GPRESSAVG: 747200 -16.8353 12.0663 19.4668 15.3475 45.5369 -41.5966 18.3099 -43.7065 5.72365 TIMING: 747200 CPU: 2328.61, 0.00310801/step Wall: 2328.61, 0.00310801/step, 3.6716 hours remaining, 233.453125 MB of memory in use. ENERGY: 747200 3967.1769 20553.9878 14448.6842 243.3820 -203136.9613 2661.1838 0.0000 0.0000 52019.1454 -109243.4012 298.9547 -161262.5465 -108875.0130 298.8401 -179.3835 -153.4405 765037.3439 11.7215 11.4751 PRESSURE: 747400 -86.8931 -285.779 60.5118 -285.777 -317.915 -350.298 60.5129 -350.297 -127.9 GPRESSURE: 747400 -109.479 -296.859 77.8833 -129.148 -295.044 -175.699 0.76142 -249.78 -43.1705 PRESSAVG: 747400 -1.03848 5.44678 11.3276 5.44672 25.1283 -42.968 11.3276 -42.9681 -9.86118 GPRESSAVG: 747400 -1.0935 9.84568 10.1432 4.52849 24.47 -43.8346 10.0318 -42.8408 -8.2258 TIMING: 747400 CPU: 2329.23, 0.00311383/step Wall: 2329.23, 0.00311383/step, 3.6783 hours remaining, 233.453125 MB of memory in use. ENERGY: 747400 4023.3564 20502.2752 14443.3266 250.4925 -203218.7857 2911.2910 0.0000 0.0000 51941.1274 -109146.9166 298.5064 -161088.0440 -108784.0366 298.9307 -177.5696 -149.2309 764835.5158 4.7429 5.0502 PRESSURE: 747600 -28.4515 -97.8741 106.065 -97.8747 311.434 100.255 106.064 100.254 -108.859 GPRESSURE: 747600 -16.8808 -21.5657 105.653 -140.46 331.503 62.0137 50.34 12.7345 -78.3752 PRESSAVG: 747600 -7.62588 -18.4314 -40.4657 -18.4314 20.2459 -9.97328 -40.4657 -9.97335 20.6486 GPRESSAVG: 747600 -8.35237 -20.0574 -40.1344 -19.2964 21.0208 -9.54574 -38.4716 -7.50716 20.6213 TIMING: 747600 CPU: 2329.85, 0.00312383/step Wall: 2329.85, 0.00312383/step, 3.68994 hours remaining, 233.453125 MB of memory in use. ENERGY: 747600 3928.1238 20667.7071 14428.8666 242.4531 -203364.3715 2998.1326 0.0000 0.0000 51935.4185 -109163.6697 298.4736 -161099.0883 -108793.1715 298.1900 58.0410 78.7490 765355.5553 11.0895 11.0966 PRESSURE: 747800 352.415 -155.987 -24.1141 -155.987 -238.856 86.7897 -24.1127 86.7917 313.617 GPRESSURE: 747800 322.352 -168.099 -27.4464 -12.5191 -182.695 147.347 13.6649 18.4297 385.382 PRESSAVG: 747800 49.0231 -16.9012 -23.2033 -16.9012 -59.9616 -12.8925 -23.2032 -12.8925 -16.8475 GPRESSAVG: 747800 49.3685 -17.441 -22.8324 -15.7142 -60.2907 -13.2858 -25.4291 -15.0529 -16.8768 TIMING: 747800 CPU: 2330.48, 0.00311627/step Wall: 2330.48, 0.00311626/step, 3.68083 hours remaining, 233.453125 MB of memory in use. ENERGY: 747800 3947.9592 20474.5503 14507.6602 253.8758 -202954.3828 2734.9430 0.0000 0.0000 52041.0403 -108994.3542 299.0806 -161035.3944 -108626.4684 298.9677 142.3920 175.0130 764518.7510 -9.2620 -9.2663 PRESSURE: 748000 -35.1732 -103.99 -33.1637 -103.99 110.789 -37.2537 -33.1644 -37.2541 -170.103 GPRESSURE: 748000 -22.1277 -149.41 -89.3745 2.82378 209.201 -26.5538 -3.4712 -65.2249 -199.319 PRESSAVG: 748000 -47.1691 -6.26732 19.7756 -6.26729 28.5263 28.9064 19.7755 28.9063 21.7059 GPRESSAVG: 748000 -47.1636 -7.22652 19.5811 -5.91591 29.6668 29.8455 19.1553 28.4717 20.7582 TIMING: 748000 CPU: 2331.1, 0.00312226/step Wall: 2331.1, 0.00312226/step, 3.68773 hours remaining, 233.453125 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: 748000 3948.3755 20265.4733 14521.3062 251.0983 -203171.4064 2923.3223 0.0000 0.0000 52224.4059 -109037.4250 300.1344 -161261.8308 -108672.4777 298.5523 -31.4957 -4.0820 763540.2706 1.0210 1.0871 PRESSURE: 748200 76.4338 132.434 -156.928 132.435 -102.429 -5.73604 -156.928 -5.73675 -200.306 GPRESSURE: 748200 97.3199 133.585 -102.503 63.168 -83.7501 -117.343 -159.746 -28.1301 -157.148 PRESSAVG: 748200 7.10733 -3.13891 -32.6126 -3.13889 -29.8679 14.9465 -32.6126 14.9465 -18.3866 GPRESSAVG: 748200 7.3629 0.0554236 -32.3419 -5.05577 -29.6631 13.8516 -31.9011 16.2993 -18.6469 TIMING: 748200 CPU: 2331.73, 0.0031263/step Wall: 2331.73, 0.0031263/step, 3.69234 hours remaining, 233.453125 MB of memory in use. ENERGY: 748200 4009.3656 20583.9472 14451.8885 238.5123 -203094.7405 3031.7387 0.0000 0.0000 51723.7855 -109055.5027 297.2573 -160779.2883 -108691.7655 299.0602 -75.4336 -47.8595 765224.3267 -13.7157 -13.6490 LDB: ============= START OF LOAD BALANCING ============== 2344.21 LDB: ============== END OF LOAD BALANCING =============== 2344.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2344.21 LDB: ============= START OF LOAD BALANCING ============== 2344.52 LDB: Largest compute 6972 load 0.030593 is 15.7% of average load 0.194956 LDB: Average compute 0.004381 is 2.2% of average load 0.194956 LDB: TIME 2344.53 LOAD: AVG 0.194956 MAX 0.217658 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.617 MB LDB: TIME 2344.53 LOAD: AVG 0.194956 MAX 0.217658 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.824 MB LDB: TIME 2344.53 LOAD: AVG 0.194956 MAX 0.214791 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.824 MB LDB: ============== END OF LOAD BALANCING =============== 2344.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2344.53 PRESSURE: 748400 260.664 -50.0631 20.672 -50.0635 171.424 -23.8512 20.6716 -23.8515 -203.635 GPRESSURE: 748400 265.621 44.8911 -8.84532 32.0425 201.173 -45.6963 48.967 44.314 -155.008 PRESSAVG: 748400 60.091 15.0524 -7.89478 15.0525 -29.0904 68.1876 -7.89481 68.1876 12.8712 GPRESSAVG: 748400 61.2635 13.7597 -9.3956 15.9467 -29.59 69.6458 -5.90951 66.8484 12.1972 TIMING: 748400 CPU: 2332.37, 0.00321066/step Wall: 2332.37, 0.00321065/step, 3.79178 hours remaining, 235.195312 MB of memory in use. ENERGY: 748400 3963.0816 20447.3038 14503.2847 237.7086 -203245.1284 3180.8484 0.0000 0.0000 51928.9403 -108983.9610 298.4363 -160912.9013 -108623.9012 298.7912 76.1511 103.9290 764629.2747 14.6239 14.6236 PRESSURE: 748600 98.7115 -103.428 97.7894 -103.426 -235.732 -16.5411 97.79 -16.54 66.8636 GPRESSURE: 748600 71.5882 -106.69 185.646 -112.755 -123.323 -25.0236 -21.4438 25.1662 55.9298 PRESSAVG: 748600 32.8835 26.7812 -3.35642 26.7812 -24.6394 -12.3977 -3.35647 -12.3977 -2.24911 GPRESSAVG: 748600 32.283 24.9379 -2.11272 27.9803 -25.0738 -12.9032 -4.22577 -11.5084 -0.836713 TIMING: 748600 CPU: 2332.99, 0.00312881/step Wall: 2332.99, 0.00312881/step, 3.69495 hours remaining, 235.398438 MB of memory in use. ENERGY: 748600 3976.3654 20603.3151 14487.6864 236.2899 -203029.4553 2867.5551 0.0000 0.0000 52069.9367 -108788.3068 299.2466 -160858.2435 -108430.7707 298.4618 -23.3856 1.3983 765216.3405 1.9983 2.1242 PRESSURE: 748800 -123.085 -62.3644 -130.548 -62.3643 -19.3926 -91.6749 -130.548 -91.6739 -292.641 GPRESSURE: 748800 -45.3163 -71.2123 -112.48 -110.086 -21.0109 -33.1181 -43.8793 -206.652 -287.622 PRESSAVG: 748800 37.2447 16.0272 -7.78761 16.0272 -23.6127 7.16399 -7.78758 7.16409 15.3901 GPRESSAVG: 748800 36.3711 16.6935 -7.39656 16.8333 -22.1963 7.01686 -8.82498 6.88384 14.8899 TIMING: 748800 CPU: 2333.62, 0.00311456/step Wall: 2333.62, 0.00311456/step, 3.67795 hours remaining, 235.398438 MB of memory in use. ENERGY: 748800 4041.8201 20376.7591 14564.6880 248.8252 -203127.8924 2721.0777 0.0000 0.0000 52386.3575 -108788.3648 301.0651 -161174.7222 -108437.3962 299.4391 -145.0393 -117.9829 764132.0299 9.6740 9.6882 PRESSURE: 749000 57.2695 34.4734 387.276 34.4723 -360.43 127.15 387.276 127.151 -99.0794 GPRESSURE: 749000 122.466 -2.08664 352.588 -103.149 -261.455 220.144 380.28 168.668 -167.085 PRESSAVG: 749000 -6.42615 -52.855 -14.8114 -52.8551 -22.496 30.1785 -14.8114 30.1785 5.68271 GPRESSAVG: 749000 -6.05031 -52.8591 -15.1181 -52.4095 -23.6346 30.7365 -13.8775 29.7791 6.50256 TIMING: 749000 CPU: 2334.24, 0.00310957/step Wall: 2334.24, 0.00310957/step, 3.67188 hours remaining, 235.398438 MB of memory in use. ENERGY: 749000 3998.5663 20496.4277 14402.4402 264.5272 -203291.3387 3031.3458 0.0000 0.0000 52167.0232 -108931.0083 299.8046 -161098.0315 -108564.6231 299.3835 -134.0801 -102.0248 764352.2068 -7.7465 -7.7274 PRESSURE: 749200 -383.211 115.338 184.6 115.338 282.864 92.9846 184.599 92.9854 -106.021 GPRESSURE: 749200 -309.333 177.123 128.612 124.375 304.377 -9.76173 70.591 161.436 -117.554 PRESSAVG: 749200 3.6016 13.9983 80.684 13.9983 51.5416 10.8456 80.6841 10.8456 6.31438 GPRESSAVG: 749200 4.55927 13.7708 81.2686 12.3609 51.6912 11.5141 78.6758 11.4121 5.00675 TIMING: 749200 CPU: 2334.86, 0.00312499/step Wall: 2334.86, 0.00312499/step, 3.68992 hours remaining, 235.398438 MB of memory in use. ENERGY: 749200 4036.8406 20576.4307 14569.9979 253.1543 -203113.2847 2776.5652 0.0000 0.0000 52053.9339 -108846.3621 299.1547 -160900.2960 -108482.8276 299.7312 -68.7897 -40.8369 765247.7217 20.4859 20.4191 PRESSURE: 749400 126.485 -139.293 125.937 -139.293 -116.486 9.98596 125.937 9.98697 -79.8676 GPRESSURE: 749400 161.77 -129.685 93.26 -126.293 -130.855 -4.79155 103.306 15.1147 -26.0143 PRESSAVG: 749400 27.5482 7.15464 31.6891 7.15466 -28.5898 33.3443 31.6891 33.3442 16.7595 GPRESSAVG: 749400 27.0118 6.49139 30.5987 8.21734 -27.8108 32.0107 32.0901 33.2055 16.7889 TIMING: 749400 CPU: 2335.49, 0.00311007/step Wall: 2335.49, 0.00311007/step, 3.67213 hours remaining, 235.398438 MB of memory in use. ENERGY: 749400 3959.5943 20527.8442 14595.2894 245.6664 -203010.8951 2641.0639 0.0000 0.0000 52224.2255 -108817.2114 300.1333 -161041.4368 -108443.5376 299.5687 -23.2893 1.6336 763513.6574 5.2393 5.3300 PRESSURE: 749600 -6.28247 43.229 30.1418 43.2298 6.46744 -232.332 30.1421 -232.331 25.0033 GPRESSURE: 749600 -46.2153 178.558 -62.8763 -24.9246 32.9632 -269.084 107.001 -352.176 109.283 PRESSAVG: 749600 17.3344 -7.65097 -24.7122 -7.65093 -15.0792 -8.60623 -24.7123 -8.60612 -22.4032 GPRESSAVG: 749600 15.5725 -8.25135 -23.0838 -7.54207 -14.3331 -7.74181 -25.0142 -10.0331 -21.484 TIMING: 749600 CPU: 2336.11, 0.00311281/step Wall: 2336.11, 0.00311281/step, 3.67519 hours remaining, 235.398438 MB of memory in use. ENERGY: 749600 3936.9622 20581.6512 14467.1072 240.4971 -203106.1039 2758.2788 0.0000 0.0000 52096.2987 -109025.3086 299.3981 -161121.6073 -108663.3185 299.3963 8.3961 32.0102 762764.7968 -6.7160 -6.7482 PRESSURE: 749800 -134.958 -2.66832 115.794 -2.66874 -203.929 71.1592 115.794 71.159 -209.437 GPRESSURE: 749800 -92.4117 -79.2313 123.58 1.66102 -151.663 99.5375 82.6215 -42.3324 -222.507 PRESSAVG: 749800 12.6667 25.4454 -26.9299 25.4454 -28.1864 -30.49 -26.9299 -30.4899 -6.93802 GPRESSAVG: 749800 14.206 27.1481 -27.3418 26.8886 -28.9435 -29.4127 -26.4141 -30.8958 -6.779 TIMING: 749800 CPU: 2336.73, 0.00312789/step Wall: 2336.73, 0.00312789/step, 3.69282 hours remaining, 235.398438 MB of memory in use. ENERGY: 749800 4045.7752 20586.7871 14483.4334 253.3408 -203017.6718 2655.0384 0.0000 0.0000 51982.1569 -109011.1400 298.7422 -160993.2969 -108654.8024 299.2132 -182.7747 -155.5273 764088.7863 -7.4859 -7.1722 PRESSURE: 750000 -120.824 294.089 173.17 294.089 190.107 -109.502 173.17 -109.503 248.125 GPRESSURE: 750000 -63.2939 243.625 247.789 142.303 183.847 -50.2942 252.333 -115.672 283.867 PRESSAVG: 750000 -4.41916 25.009 -2.75374 25.009 -11.0519 -1.22815 -2.75376 -1.22813 -14.1461 GPRESSAVG: 750000 -5.29404 25.1752 -2.37151 23.7973 -10.1144 -1.68126 -2.93442 -1.04321 -14.275 TIMING: 750000 CPU: 2337.36, 0.00312491/step Wall: 2337.36, 0.00312491/step, 3.68913 hours remaining, 235.398438 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: 750000 3943.7778 20557.6601 14440.0871 230.6221 -202818.2106 2614.3428 0.0000 0.0000 52177.2324 -108854.4883 299.8633 -161031.7206 -108481.6558 298.9916 105.8029 134.8067 762205.1688 -9.8724 -9.8945 PRESSURE: 750200 75.6851 85.9761 -62.0621 85.9758 42.7235 -110.412 -62.0619 -110.412 55.0982 GPRESSURE: 750200 59.2678 34.6224 -75.4654 100.292 20.2959 -228.747 -20.8663 -41.9578 164.199 PRESSAVG: 750200 -13.8807 14.6929 29.7169 14.6929 16.8329 1.70912 29.7169 1.70906 17.9752 GPRESSAVG: 750200 -11.5961 15.6181 30.3214 15.1627 15.9045 1.7777 30.4644 2.98473 17.4562 TIMING: 750200 CPU: 2337.98, 0.00312609/step Wall: 2337.98, 0.00312609/step, 3.69035 hours remaining, 235.398438 MB of memory in use. ENERGY: 750200 3970.2459 20610.8416 14460.6570 238.9031 -203206.6077 2745.8055 0.0000 0.0000 52223.6420 -108956.5125 300.1300 -161180.1545 -108590.1213 299.4977 57.8356 81.2541 763533.9734 6.9758 7.2549 PRESSURE: 750400 -376.263 -71.5004 165.849 -71.5006 -301.23 58.2708 165.849 58.2702 -364.453 GPRESSURE: 750400 -251.083 65.4719 147.36 8.97091 -350.612 -7.62348 63.508 95.3223 -350.393 PRESSAVG: 750400 4.66235 13.1491 20.6313 13.1491 39.1432 -7.18789 20.6313 -7.1879 -17.5038 GPRESSAVG: 750400 3.52587 12.4197 18.1522 13.4235 38.9775 -8.00046 20.2842 -6.85696 -16.0862 TIMING: 750400 CPU: 2338.61, 0.00311182/step Wall: 2338.61, 0.00311182/step, 3.67333 hours remaining, 235.398438 MB of memory in use. ENERGY: 750400 4058.5975 20582.3504 14553.4918 246.5138 -202589.8126 2401.3035 0.0000 0.0000 52159.0121 -108588.5436 299.7586 -160747.5557 -108226.8250 300.0921 -347.3154 -317.3627 762421.4738 8.7673 8.8057 PRESSURE: 750600 51.7167 285.825 -209.555 285.825 -140.407 275.349 -209.556 275.349 -53.4706 GPRESSURE: 750600 50.2589 348.593 -184.089 213.61 -66.5882 293.488 -239.309 312.192 -50.6242 PRESSAVG: 750600 -26.6823 53.3979 19.4203 53.398 -1.59436 -20.8437 19.4203 -20.8437 25.6745 GPRESSAVG: 750600 -26.4679 53.6628 21.0702 51.6456 -1.17761 -20.822 18.3363 -20.183 25.0272 TIMING: 750600 CPU: 2339.23, 0.00309794/step Wall: 2339.23, 0.00309794/step, 3.65677 hours remaining, 235.398438 MB of memory in use. ENERGY: 750600 4028.1577 20625.0349 14507.6963 241.0632 -203357.6426 2944.2397 0.0000 0.0000 52270.8787 -108740.5720 300.4015 -161011.4507 -108359.6655 300.1281 -47.3869 -22.3178 762457.2484 -0.8674 -0.8728 PRESSURE: 750800 -250.726 -33.9324 138.17 -33.9315 -141.227 -2.06732 138.169 -2.06845 -229.273 GPRESSURE: 750800 -225.481 -49.1969 22.3108 -19.158 -107.144 -81.5034 6.92014 102.748 -201.804 PRESSAVG: 750800 36.9335 38.2474 8.20843 38.2473 -33.1977 -46.3686 8.20841 -46.3686 -6.68753 GPRESSAVG: 750800 36.9805 37.6373 6.50112 40.5649 -32.1715 -45.6162 9.12262 -47.5694 -7.80201 TIMING: 750800 CPU: 2339.85, 0.0031161/step Wall: 2339.85, 0.0031161/step, 3.67804 hours remaining, 235.398438 MB of memory in use. ENERGY: 750800 3982.0752 20677.4663 14515.8021 249.3323 -203128.8613 2714.8844 0.0000 0.0000 52120.9408 -108868.3602 299.5398 -160989.3011 -108498.7402 299.9631 -207.0755 -178.1428 764743.9729 -0.9839 -0.9977 PRESSURE: 751000 414.752 85.8335 -139.607 85.8347 129.069 -88.3515 -139.607 -88.3511 -101.123 GPRESSURE: 751000 378.253 111.094 -128.577 62.3282 169.899 -80.8253 -64.6851 20.5964 -2.63251 PRESSAVG: 751000 53.4903 47.8677 13.7525 47.8677 -51.0011 -65.4791 13.7525 -65.479 -6.18899 GPRESSAVG: 751000 53.6608 48.5716 16.149 46.7846 -51.5794 -65.1863 12.3779 -63.4007 -4.94667 TIMING: 751000 CPU: 2340.47, 0.00311852/step Wall: 2340.47, 0.00311852/step, 3.68072 hours remaining, 235.398438 MB of memory in use. ENERGY: 751000 4000.0097 20625.7162 14406.1186 262.7299 -203376.6245 2941.1225 0.0000 0.0000 52341.0193 -108799.9084 300.8046 -161140.9277 -108431.3981 299.9984 147.5658 181.8397 765166.0926 -1.2333 -0.9551 PRESSURE: 751200 -270.004 -60.2182 78.3377 -60.2176 -11.507 55.3515 78.3382 55.3509 192.919 GPRESSURE: 751200 -178.864 -125.244 125.377 -105.3 12.1096 66.1206 -37.3853 -4.41498 154.308 PRESSAVG: 751200 33.3369 2.5147 -20.0296 2.51475 -67.1103 -27.6109 -20.0297 -27.6108 12.6896 GPRESSAVG: 751200 32.5841 1.31215 -20.6803 1.85386 -65.9756 -28.0445 -19.6593 -30.4046 12.3928 TIMING: 751200 CPU: 2341.1, 0.00311178/step Wall: 2341.1, 0.00311178/step, 3.6726 hours remaining, 235.398438 MB of memory in use. ENERGY: 751200 3989.5177 20575.1334 14431.7749 239.6712 -203080.6147 2806.1576 0.0000 0.0000 52232.7421 -108805.6179 300.1823 -161038.3599 -108429.2907 299.5840 -29.5305 -4.1488 765418.9961 -7.0279 -6.9996 PRESSURE: 751400 104.343 -113.713 -66.1912 -113.713 648.458 27.979 -66.1898 27.9787 234.141 GPRESSURE: 751400 250.431 -123.952 9.25381 -100.528 596.349 -41.6098 -184.514 -22.2302 216.842 PRESSAVG: 751400 39.4669 8.56936 -18.799 8.56936 -38.6264 -17.8066 -18.799 -17.8066 -13.5789 GPRESSAVG: 751400 39.2326 8.33173 -19.3303 9.68459 -38.826 -16.5416 -18.5963 -16.591 -13.2511 TIMING: 751400 CPU: 2341.72, 0.00311374/step Wall: 2341.72, 0.00311374/step, 3.67474 hours remaining, 235.398438 MB of memory in use. ENERGY: 751400 3991.5711 20619.9135 14497.8628 245.0076 -203586.3511 3091.3210 0.0000 0.0000 52174.5585 -108966.1167 299.8479 -161140.6751 -108611.0525 299.8159 328.9807 354.5407 762912.7505 -4.2462 -4.2815 PRESSURE: 751600 -54.047 -70.1627 137.941 -70.1627 -174.401 251.319 137.941 251.318 -5.06878 GPRESSURE: 751600 -75.8216 -13.9173 107.086 -146.808 -124.102 151.054 239.618 64.3039 64.2957 PRESSAVG: 751600 90.3225 23.9614 -1.89248 23.9613 -24.2602 -25.4398 -1.89251 -25.4398 22.6935 GPRESSAVG: 751600 91.8444 24.4097 -2.31736 22.8826 -25.4014 -26.9565 -2.47299 -25.7665 22.4495 TIMING: 751600 CPU: 2342.34, 0.00310374/step Wall: 2342.34, 0.00310374/step, 3.66276 hours remaining, 235.398438 MB of memory in use. ENERGY: 751600 3977.3881 20667.6085 14468.2252 254.1892 -203698.4386 3192.4852 0.0000 0.0000 52154.5588 -108983.9836 299.7330 -161138.5424 -108626.6478 299.3250 -77.8388 -45.2092 763815.8225 29.5853 29.6308 PRESSURE: 751800 493.791 62.6559 -21.2128 62.6566 306.405 136.518 -21.214 136.519 67.9285 GPRESSURE: 751800 576.398 24.9243 -2.18129 12.2741 341.222 158.383 66.1878 40.3349 40.7564 PRESSAVG: 751800 11.0574 -2.20293 -28.7437 -2.2029 -77.4099 -19.188 -28.7437 -19.1881 16.8713 GPRESSAVG: 751800 11.0021 -2.59761 -27.3967 -3.25545 -76.2943 -19.1722 -28.2242 -19.4113 16.3141 TIMING: 751800 CPU: 2342.96, 0.00310836/step Wall: 2342.96, 0.00310836/step, 3.66804 hours remaining, 235.398438 MB of memory in use. ENERGY: 751800 3989.3425 20512.3464 14476.4623 244.8788 -203726.2508 3521.4598 0.0000 0.0000 52211.3429 -108770.4182 300.0593 -160981.7611 -108415.5137 299.2055 289.3749 319.4588 764467.4653 -16.4937 -16.3260 PRESSURE: 752000 -50.7172 -3.78829 45.5747 -3.78847 -325.144 -93.361 45.5745 -93.3595 -75.3465 GPRESSURE: 752000 10.5962 0.0280083 11.6438 60.7282 -334.66 -117.117 71.3583 -88.6906 -35.8648 PRESSAVG: 752000 31.8111 -7.99708 63.223 -7.99705 -59.7252 8.39057 63.2231 8.39058 -13.7645 GPRESSAVG: 752000 31.2318 -7.36417 62.6724 -7.57275 -60.6902 7.29884 63.9372 6.92617 -12.057 TIMING: 752000 CPU: 2343.58, 0.0031076/step Wall: 2343.58, 0.0031076/step, 3.66697 hours remaining, 235.398438 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: 752000 4084.0458 20840.6268 14468.5097 252.6086 -203269.7657 2892.3689 0.0000 0.0000 51896.1444 -108835.4616 298.2479 -160731.6059 -108484.4962 299.6364 -150.4025 -119.9763 764121.5935 -13.8929 -13.8385 PRESSURE: 752200 -182.601 124.314 37.2583 124.312 108.823 52.4177 37.2582 52.419 17.289 GPRESSURE: 752200 -157.167 27.47 -43.5681 125.808 153.575 65.9182 20.1393 66.5036 45.4298 PRESSAVG: 752200 -2.7298 -23.8414 25.5756 -23.8414 21.9024 -19.8138 25.5757 -19.8138 29.063 GPRESSAVG: 752200 -0.353503 -22.9171 24.17 -22.4512 21.8337 -19.0761 25.428 -19.2013 26.8241 TIMING: 752200 CPU: 2344.21, 0.00311744/step Wall: 2344.21, 0.00311744/step, 3.67841 hours remaining, 235.398438 MB of memory in use. ENERGY: 752200 4022.3942 20423.4274 14474.2963 246.1683 -202842.2237 2763.4965 0.0000 0.0000 52111.5009 -108800.9400 299.4855 -160912.4409 -108427.4969 299.7200 -18.8296 13.9459 765689.0242 16.0785 16.1014 LDB: ============= START OF LOAD BALANCING ============== 2356.68 LDB: ============== END OF LOAD BALANCING =============== 2356.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2356.69 LDB: ============= START OF LOAD BALANCING ============== 2357 LDB: Largest compute 6972 load 0.030694 is 15.8% of average load 0.194825 LDB: Average compute 0.004401 is 2.3% of average load 0.194825 LDB: TIME 2357 LOAD: AVG 0.194825 MAX 0.216937 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.137 MB LDB: TIME 2357 LOAD: AVG 0.194825 MAX 0.216937 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.137 MB LDB: TIME 2357 LOAD: AVG 0.194825 MAX 0.216937 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.137 MB LDB: ============== END OF LOAD BALANCING =============== 2357 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2357.01 PRESSURE: 752400 -245.416 33.6481 -55.5739 33.6482 50.7004 105.723 -55.5751 105.722 162.858 GPRESSURE: 752400 -201.885 53.9346 60.7184 85.4059 102.05 22.5878 -98.4806 44.5037 175.792 PRESSAVG: 752400 -38.3294 -4.44149 -5.31974 -4.44151 -23.3958 3.75714 -5.31979 3.75718 -4.37059 GPRESSAVG: 752400 -40.141 -5.08057 -4.75589 -3.82606 -23.5868 3.88038 -4.58091 2.05584 -2.4478 TIMING: 752400 CPU: 2344.84, 0.00318346/step Wall: 2344.84, 0.00318346/step, 3.75613 hours remaining, 234.367188 MB of memory in use. ENERGY: 752400 3983.3104 20557.0268 14505.6849 274.1128 -203204.8738 3063.0015 0.0000 0.0000 52142.4636 -108679.2737 299.6635 -160821.7373 -108324.0603 299.4754 -10.6192 25.3190 764040.9514 -22.0320 -22.0585 PRESSURE: 752600 12.2358 95.5203 -31.5154 95.5206 -130.307 -109.129 -31.5154 -109.129 305.381 GPRESSURE: 752600 46.526 -9.88793 -69.8257 -25.0724 -108.596 -15.4764 -87.4357 22.4622 344.989 PRESSAVG: 752600 -14.3552 45.3225 -17.5615 45.3225 18.3703 17.9627 -17.5615 17.9627 -3.15577 GPRESSAVG: 752600 -14.2545 45.4127 -17.5767 43.8554 18.084 17.7006 -17.7502 21.1112 -3.06486 TIMING: 752600 CPU: 2345.47, 0.00311436/step Wall: 2345.47, 0.00311436/step, 3.67443 hours remaining, 234.367188 MB of memory in use. ENERGY: 752600 3960.1742 20567.8180 14499.8387 231.8776 -202776.4230 2637.1643 0.0000 0.0000 52076.0414 -108803.5087 299.2817 -160879.5502 -108435.4611 299.5388 62.4365 94.3065 764233.1763 0.2865 0.2549 PRESSURE: 752800 -448.943 -23.6176 89.7947 -23.6166 -175.7 -64.5785 89.7941 -64.5783 -674.223 GPRESSURE: 752800 -358.66 -19.5109 112.341 -94.5088 -237.755 -3.12319 88.2913 -77.736 -640.408 PRESSAVG: 752800 -4.9485 50.0891 9.93579 50.089 -26.7253 25.6564 9.93582 25.6565 -18.2866 GPRESSAVG: 752800 -5.12293 49.5305 9.86884 49.4104 -26.8207 27.8339 9.92261 21.7955 -18.596 TIMING: 752800 CPU: 2346.09, 0.00310743/step Wall: 2346.09, 0.00310743/step, 3.66608 hours remaining, 234.367188 MB of memory in use. ENERGY: 752800 4014.7231 20597.4523 14510.9017 234.0346 -202784.9848 2709.3922 0.0000 0.0000 52048.9636 -108669.5173 299.1261 -160718.4809 -108306.3902 299.3957 -432.9553 -412.2742 764304.3740 -16.6535 -16.8465 PRESSURE: 753000 -108.045 196.278 -61.0552 196.277 -173.256 -85.2188 -61.0548 -85.2183 -294.413 GPRESSURE: 753000 -30.1127 225.318 -82.3747 133.602 -164.671 -105.769 5.98424 -147.53 -308.187 PRESSAVG: 753000 -23.1377 18.4428 -7.70841 18.4428 14.6177 -15.4476 -7.70836 -15.4476 -7.55676 GPRESSAVG: 753000 -23.2057 20.4785 -5.80242 19.768 15.0057 -19.4913 -7.45391 -15.7032 -8.26645 TIMING: 753000 CPU: 2346.71, 0.00310979/step Wall: 2346.71, 0.00310979/step, 3.66869 hours remaining, 234.367188 MB of memory in use. ENERGY: 753000 4037.6786 20534.5962 14451.7407 246.6310 -202679.7994 2792.0832 0.0000 0.0000 51916.6279 -108700.4418 298.3656 -160617.0697 -108335.5183 299.9188 -191.9049 -167.6568 764257.2479 -5.3589 -5.4888 PRESSURE: 753200 383.418 155.078 273.596 155.079 -47.3847 -145.015 273.596 -145.015 -415.678 GPRESSURE: 753200 390.15 28.6533 294.826 166.297 -66.3563 -125.228 317.309 -190.334 -319.244 PRESSAVG: 753200 -46.9192 8.01055 1.33693 8.01054 41.3342 -21.6693 1.33684 -21.6693 -7.29165 GPRESSAVG: 753200 -46.357 6.46078 0.800125 9.08708 40.2399 -18.7852 1.54524 -18.7968 -6.13064 TIMING: 753200 CPU: 2347.33, 0.00311267/step Wall: 2347.33, 0.00311267/step, 3.67191 hours remaining, 234.367188 MB of memory in use. ENERGY: 753200 4005.4726 20550.0950 14312.8519 249.5275 -202714.9849 2832.0356 0.0000 0.0000 51798.1405 -108966.8618 297.6846 -160765.0023 -108604.7954 299.3740 -26.5482 1.5165 764661.8983 -4.2922 -4.0826 PRESSURE: 753400 57.3632 10.4597 166.449 10.4602 433.341 195.73 166.449 195.73 -241.202 GPRESSURE: 753400 12.2124 24.0386 150.067 64.1645 518.493 311.717 217.74 158.753 -206.196 PRESSAVG: 753400 15.8828 19.5296 25.645 19.5296 -16.4277 -8.02603 25.645 -8.02601 -5.20111 GPRESSAVG: 753400 14.2302 18.0449 25.4589 19.442 -14.6807 -9.01642 25.391 -9.02712 -6.15596 TIMING: 753400 CPU: 2347.96, 0.00313011/step Wall: 2347.96, 0.00313011/step, 3.69231 hours remaining, 234.367188 MB of memory in use. ENERGY: 753400 3970.6977 20486.5873 14473.5138 236.4369 -203127.2768 2967.7608 0.0000 0.0000 52124.3332 -108867.9470 299.5593 -160992.2802 -108503.0210 298.9411 83.1674 108.1700 764642.4066 -1.9153 -2.2022 PRESSURE: 753600 -26.9639 -209.041 -63.5542 -209.042 -135.48 -26.8357 -63.5542 -26.8361 230.468 GPRESSURE: 753600 54.3138 -141.577 -144.488 -176.583 -87.5923 -0.234887 -140.519 69.2455 167.206 PRESSAVG: 753600 -11.8111 9.06946 -10.2341 9.06946 12.8353 -14.7163 -10.234 -14.7164 29.2422 GPRESSAVG: 753600 -10.4194 10.6927 -10.0157 8.59246 12.0607 -14.6416 -8.46614 -13.9761 28.73 TIMING: 753600 CPU: 2348.58, 0.00313388/step Wall: 2348.58, 0.00313388/step, 3.69658 hours remaining, 234.367188 MB of memory in use. ENERGY: 753600 4037.5693 20321.2941 14371.2395 237.9995 -203112.7875 3205.2454 0.0000 0.0000 51927.2753 -109012.1644 298.4268 -160939.4397 -108640.5154 299.0564 22.6747 44.6425 763879.0855 10.0888 10.1238 PRESSURE: 753800 35.3825 88.4398 194.021 88.4411 -178.526 233.01 194.022 233.011 55.2276 GPRESSURE: 753800 153.809 -3.62776 222.143 45.4258 -261.886 297.01 133.699 208.751 84.696 PRESSAVG: 753800 7.84492 33.987 -8.09481 33.987 1.78751 -7.73127 -8.09482 -7.73128 10.9058 GPRESSAVG: 753800 7.58871 34.069 -8.64837 34.2061 0.949363 -8.09686 -10.3492 -8.81481 11.8821 TIMING: 753800 CPU: 2349.21, 0.00312383/step Wall: 2349.21, 0.00312383/step, 3.68456 hours remaining, 234.367188 MB of memory in use. ENERGY: 753800 4097.4845 20365.5559 14455.0940 241.9341 -203480.9730 3139.9563 0.0000 0.0000 52137.2029 -109043.7453 299.6332 -161180.9482 -108674.8329 298.7473 -29.3052 -7.7937 762413.8872 6.8461 6.8067 PRESSURE: 754000 68.8326 -20.3575 -133.578 -20.3573 -79.7759 29.3463 -133.578 29.3453 30.5722 GPRESSURE: 754000 132.607 1.33344 -121.971 -28.5879 -7.12018 -17.2539 -23.772 -83.2105 -13.9299 PRESSAVG: 754000 -6.67827 1.35979 -5.03988 1.35978 -16.3452 4.24419 -5.03986 4.24418 -17.9126 GPRESSAVG: 754000 -6.86593 2.1454 -5.4131 -0.50045 -15.8593 3.73371 -5.39402 6.12681 -18.1983 TIMING: 754000 CPU: 2349.83, 0.00311623/step Wall: 2349.83, 0.00311623/step, 3.67542 hours remaining, 234.367188 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: 754000 4026.6402 20533.2179 14381.9343 256.7190 -203306.6648 3093.3934 0.0000 0.0000 52000.0588 -109014.7013 298.8451 -161014.7600 -108662.4256 298.6536 6.5430 37.1858 764244.8612 -13.6454 -13.6412 PRESSURE: 754200 -184.827 120.71 -47.1838 120.71 -233.216 43.6761 -47.1845 43.6753 8.35998 GPRESSURE: 754200 -183.906 9.75949 -65.3497 143.554 -160.502 55.1833 -10.0212 -5.64036 42.2774 PRESSAVG: 754200 27.7051 6.53051 2.86373 6.53057 5.5574 -46.297 2.86368 -46.297 -9.40826 GPRESSAVG: 754200 27.4899 6.69798 1.73818 7.82131 6.33165 -45.7429 4.51709 -45.2062 -9.75621 TIMING: 754200 CPU: 2350.46, 0.00312829/step Wall: 2350.46, 0.00312829/step, 3.68947 hours remaining, 234.367188 MB of memory in use. ENERGY: 754200 4036.2652 20439.7807 14403.3137 256.1160 -202950.6365 2764.1128 0.0000 0.0000 52148.4986 -108902.5494 299.6981 -161051.0480 -108544.0176 298.6897 -136.5609 -100.7102 763054.7484 7.9514 8.0218 PRESSURE: 754400 -96.1338 -57.3056 -139.016 -57.3063 -57.9093 203.354 -139.016 203.354 -556.315 GPRESSURE: 754400 -2.25899 -77.0215 -148.64 -63.9946 -49.3651 281.088 -57.2665 148.05 -575.788 PRESSAVG: 754400 10.0926 -18.1741 -25.609 -18.1742 7.70473 -29.29 -25.6091 -29.2899 -24.0625 GPRESSAVG: 754400 9.91353 -18.8573 -22.7228 -19.0222 7.20587 -30.0179 -27.1276 -31.453 -23.2799 TIMING: 754400 CPU: 2351.08, 0.0031178/step Wall: 2351.08, 0.0031178/step, 3.67692 hours remaining, 234.367188 MB of memory in use. ENERGY: 754400 4035.6027 20348.6691 14471.0953 244.7350 -202765.4452 2792.4057 0.0000 0.0000 52016.1617 -108856.7757 298.9376 -160872.9373 -108495.2763 299.4166 -236.7862 -209.1373 763594.1463 -2.0884 -2.0535 PRESSURE: 754600 -227.33 -78.7161 305.703 -78.7155 -484.215 70.2743 305.703 70.2755 -112.001 GPRESSURE: 754600 -184.872 -29.8766 332.599 -138.436 -473.372 92.2669 235.415 122.212 -79.8214 PRESSAVG: 754600 6.40999 -24.344 -36.6326 -24.3441 -3.74588 28.5824 -36.6326 28.5824 -19.3123 GPRESSAVG: 754600 6.99868 -23.9151 -39.1784 -24.3944 -3.71887 27.9836 -35.191 30.4161 -20.1062 TIMING: 754600 CPU: 2351.71, 0.00312839/step Wall: 2351.71, 0.00312839/step, 3.68924 hours remaining, 234.367188 MB of memory in use. ENERGY: 754600 4045.7847 20447.3887 14450.1472 247.6708 -202529.2402 2256.4977 0.0000 0.0000 52223.2022 -108858.5490 300.1275 -161081.7512 -108489.9897 299.4841 -274.5153 -246.0220 763411.7579 -5.5494 -5.6088 PRESSURE: 754800 40.9864 87.016 -60.8671 87.0153 85.9833 -123.691 -60.8673 -123.69 93.3789 GPRESSURE: 754800 50.7419 -8.04701 -57.3262 56.637 173.293 -72.3429 -79.1499 -75.7305 88.636 PRESSAVG: 754800 49.8743 0.729287 22.7193 0.729306 -24.2948 18.3983 22.7193 18.3983 -4.58218 GPRESSAVG: 754800 48.8704 -1.12445 24.2112 2.83209 -23.6131 20.5777 20.4679 17.6248 -4.58264 TIMING: 754800 CPU: 2352.33, 0.0031121/step Wall: 2352.33, 0.0031121/step, 3.66986 hours remaining, 234.367188 MB of memory in use. ENERGY: 754800 4013.0221 20396.2944 14426.4286 228.3804 -203187.0283 2873.8909 0.0000 0.0000 52322.9489 -108926.0630 300.7007 -161249.0119 -108556.2309 299.3364 73.4495 104.2236 762268.8241 6.9991 6.8916 PRESSURE: 755000 -152.235 14.2132 196.548 14.2139 -116.089 -128.022 196.549 -128.023 -106.398 GPRESSURE: 755000 -22.3947 33.7853 102.101 -110.671 -131.215 10.3086 19.8353 -82.7961 -133.052 PRESSAVG: 755000 -20.8436 -14.3844 1.30928 -14.3844 24.5503 -40.1437 1.30928 -40.1437 13.3224 GPRESSAVG: 755000 -20.4663 -11.8239 0.147736 -15.6854 24.5421 -40.381 1.44794 -41.122 13.1758 TIMING: 755000 CPU: 2352.95, 0.0031111/step Wall: 2352.95, 0.0031111/step, 3.66851 hours remaining, 234.367188 MB of memory in use. ENERGY: 755000 3999.1177 20630.0894 14513.8994 238.3306 -203005.0508 2758.1203 0.0000 0.0000 52035.2049 -108830.2885 299.0470 -160865.4934 -108476.1262 299.6748 -124.9074 -95.5539 762355.8882 5.6764 5.7505 PRESSURE: 755200 -47.5581 -206.144 -15.8382 -206.144 138.002 -196.601 -15.8383 -196.6 400.587 GPRESSURE: 755200 73.4537 -137.972 73.0117 -169.166 138.572 -191.821 -60.7995 -170.167 358.14 PRESSAVG: 755200 -3.4343 -8.89529 -42.5739 -8.89527 11.2181 -33.8965 -42.5738 -33.8965 -0.688332 GPRESSAVG: 755200 -3.87848 -10.7073 -40.6916 -8.96255 11.1566 -33.8482 -43.1141 -33.1337 0.138555 TIMING: 755200 CPU: 2353.58, 0.00312916/step Wall: 2353.58, 0.00312916/step, 3.68963 hours remaining, 234.367188 MB of memory in use. ENERGY: 755200 3965.9247 20576.6373 14477.0467 255.8709 -203104.8482 2822.9090 0.0000 0.0000 52315.3008 -108691.1588 300.6568 -161006.4597 -108332.8774 300.1125 163.6768 190.0554 761605.7200 2.3652 2.4722 PRESSURE: 755400 -16.2216 230.443 111.367 230.443 -172.127 -22.7939 111.367 -22.7936 -197.466 GPRESSURE: 755400 -52.2909 57.9544 189.839 236.323 -87.4631 -46.9303 22.7986 -47.537 -171.389 PRESSAVG: 755400 22.1823 23.4767 -12.4276 23.4767 -30.6693 -15.4698 -12.4276 -15.4698 14.7286 GPRESSAVG: 755400 21.989 21.6509 -12.4853 24.3703 -30.7185 -17.6054 -12.5529 -14.118 15.1671 TIMING: 755400 CPU: 2354.2, 0.00312092/step Wall: 2354.2, 0.00312092/step, 3.67974 hours remaining, 234.367188 MB of memory in use. ENERGY: 755400 4019.6272 20552.0623 14459.7102 249.3613 -202921.1660 2734.5039 0.0000 0.0000 52194.6009 -108711.3001 299.9631 -160905.9010 -108349.0244 300.0944 -128.6049 -103.7143 762968.6836 2.0805 2.1459 PRESSURE: 755600 -20.0615 138.886 106.908 138.888 -193.352 135.492 106.908 135.492 -462.459 GPRESSURE: 755600 19.4024 146.661 114.742 165.576 -133.767 137.239 99.134 134.946 -493.313 PRESSAVG: 755600 52.8003 17.8137 37.9328 17.8136 -65.6407 97.2176 37.9327 97.2176 12.3441 GPRESSAVG: 755600 53.8054 19.3237 36.9761 18.0648 -64.7877 98.3033 38.7292 96.9004 11.1289 TIMING: 755600 CPU: 2354.83, 0.00312227/step Wall: 2354.83, 0.00312227/step, 3.68115 hours remaining, 234.367188 MB of memory in use. ENERGY: 755600 3991.2937 20611.1655 14373.9870 279.9308 -202586.3224 2531.1890 0.0000 0.0000 52129.2860 -108669.4704 299.5877 -160798.7565 -108295.9892 299.5314 -225.2908 -202.5590 764419.7634 -0.1654 0.0489 PRESSURE: 755800 55.0675 -12.7253 91.0323 -12.7249 296.547 -48.0759 91.0329 -48.0757 407.26 GPRESSURE: 755800 83.8452 91.7947 163.519 85.06 379.383 -25.8866 66.2052 -29.1638 374.007 PRESSAVG: 755800 -14.7138 20.1565 5.22167 20.1566 -23.1606 62.65 5.2216 62.6499 -17.25 GPRESSAVG: 755800 -14.5716 18.9716 4.83865 18.5209 -24.2747 62.3128 6.2104 63.5671 -16.2796 TIMING: 755800 CPU: 2355.45, 0.0031172/step Wall: 2355.45, 0.0031172/step, 3.675 hours remaining, 234.367188 MB of memory in use. ENERGY: 755800 3959.9691 20512.2754 14387.7870 241.0363 -202789.2638 2904.8733 0.0000 0.0000 52091.5253 -108691.7974 299.3707 -160783.3227 -108330.4891 299.3621 252.9582 279.0786 764987.1295 -18.3748 -18.3753 PRESSURE: 756000 371.766 -23.2983 43.5471 -23.2978 101.656 171.172 43.546 171.172 -147.463 GPRESSURE: 756000 270.4 -103.748 131.206 16.0441 179.914 119.275 14.6082 261.028 -45.5363 PRESSAVG: 756000 3.57527 -48.8637 -25.457 -48.8636 3.92908 46.1537 -25.457 46.1537 12.2122 GPRESSAVG: 756000 3.38364 -48.4009 -24.0312 -48.3905 4.53702 46.1736 -27.3041 44.5435 12.2 TIMING: 756000 CPU: 2356.07, 0.00310866/step Wall: 2356.07, 0.00310866/step, 3.66477 hours remaining, 234.367188 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: 756000 3963.1634 20536.8695 14409.3053 247.3051 -203211.6087 3133.3650 0.0000 0.0000 52164.6733 -108756.9271 299.7911 -160921.6004 -108394.3552 299.5252 108.6528 134.9259 762594.3973 6.5722 6.7069 PRESSURE: 756200 -291.017 -72.2785 -31.7614 -72.2787 -310.172 -116.425 -31.7624 -116.425 69.5347 GPRESSURE: 756200 -265.536 -77.0706 -35.8813 -84.6371 -273.46 -176.426 -117.565 -200.223 84.0944 PRESSAVG: 756200 46.6001 -0.128347 15.2765 -0.128386 -30.1904 44.9352 15.2765 44.9352 3.22714 GPRESSAVG: 756200 46.5712 0.829638 14.9483 1.68489 -30.439 44.7258 15.8713 44.8376 3.32915 TIMING: 756200 CPU: 2356.69, 0.0031127/step Wall: 2356.69, 0.0031127/step, 3.66935 hours remaining, 234.367188 MB of memory in use. ENERGY: 756200 4094.8832 20551.3416 14518.3385 233.6317 -203010.4160 2696.8167 0.0000 0.0000 52081.8032 -108833.6012 299.3148 -160915.4043 -108465.0045 299.7588 -177.2181 -151.6339 761633.6216 6.5456 6.4871 LDB: ============= START OF LOAD BALANCING ============== 2369.17 LDB: ============== END OF LOAD BALANCING =============== 2369.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2369.17 LDB: ============= START OF LOAD BALANCING ============== 2369.49 LDB: Largest compute 6972 load 0.030584 is 15.7% of average load 0.195030 LDB: Average compute 0.004386 is 2.2% of average load 0.195030 LDB: TIME 2369.49 LOAD: AVG 0.19503 MAX 0.218281 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.02 MB LDB: TIME 2369.49 LOAD: AVG 0.19503 MAX 0.218281 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.023 MB LDB: TIME 2369.49 LOAD: AVG 0.19503 MAX 0.215347 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.023 MB LDB: ============== END OF LOAD BALANCING =============== 2369.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2369.5 PRESSURE: 756400 201.12 147.155 -74.5775 147.154 331.98 -62.0821 -74.5768 -62.083 -116.122 GPRESSURE: 756400 268.415 138.954 -17.3629 144.541 286.01 -10.0482 -34.8333 -98.7552 -65.7154 PRESSAVG: 756400 10.0252 -47.8303 26.5179 -47.8303 -53.7634 -40.8534 26.5179 -40.8534 -18.3108 GPRESSAVG: 756400 9.97326 -46.9772 25.9847 -49.826 -53.9567 -41.5767 28.8715 -39.7224 -17.7387 TIMING: 756400 CPU: 2357.33, 0.00318114/step Wall: 2357.33, 0.00318114/step, 3.74985 hours remaining, 235.589844 MB of memory in use. ENERGY: 756400 3972.7602 20682.7794 14435.0644 265.5832 -203159.2597 2824.7166 0.0000 0.0000 52020.0011 -108958.3547 298.9597 -160978.3558 -108597.4710 299.6002 138.9923 162.9030 763001.7468 -20.6830 -20.5740 PRESSURE: 756600 30.3815 183.101 -72.3644 183.102 54.1843 -101.797 -72.3646 -101.797 263.029 GPRESSURE: 756600 89.9861 -48.0409 -65.0111 157.933 -12.2056 -125.326 -17.4171 -84.9786 334.944 PRESSAVG: 756600 22.2564 -36.6973 -8.33985 -36.6973 -20.3967 -22.4 -8.33989 -22.4 14.2577 GPRESSAVG: 756600 22.3362 -38.8374 -8.09647 -35.4007 -19.8356 -21.5621 -10.5849 -24.339 13.5845 TIMING: 756600 CPU: 2357.95, 0.00311147/step Wall: 2357.95, 0.00311147/step, 3.66755 hours remaining, 235.589844 MB of memory in use. ENERGY: 756600 4038.8468 20406.1365 14407.6709 245.6255 -203107.0048 2896.2239 0.0000 0.0000 52113.0544 -108999.4468 299.4944 -161112.5012 -108629.7572 299.4124 115.8650 137.5749 764366.5191 5.3725 5.3617 PRESSURE: 756800 -124.579 92.587 97.1591 92.587 -374.111 -35.5698 97.1594 -35.5695 54.7212 GPRESSURE: 756800 -29.0219 58.5011 71.4006 17.8227 -251.258 -69.9499 65.7667 11.521 -69.2939 PRESSAVG: 756800 23.9311 -12.6056 14.9894 -12.6056 -5.19321 -3.99754 14.9894 -3.99754 7.89142 GPRESSAVG: 756800 24.0498 -11.2678 14.1384 -14.3848 -5.84815 -3.36929 16.8252 -4.26555 8.23395 TIMING: 756800 CPU: 2358.58, 0.00311568/step Wall: 2358.58, 0.00311568/step, 3.67235 hours remaining, 235.589844 MB of memory in use. ENERGY: 756800 3992.5109 20557.9266 14517.0421 241.6210 -203471.8032 3018.9413 0.0000 0.0000 52010.2258 -109133.5354 298.9035 -161143.7612 -108770.5969 298.8503 -147.9894 -116.5244 762760.1666 8.8764 8.8119 PRESSURE: 757000 -164.272 -79.6549 107.825 -79.6551 155.151 -402.908 107.825 -402.908 89.1389 GPRESSURE: 757000 -127.678 -153.843 195.852 -176.021 208.529 -469.809 58.8507 -309.543 61.5501 PRESSAVG: 757000 -10.9258 -6.1843 15.0503 -6.18424 7.09177 16.5576 15.0502 16.5577 -2.80385 GPRESSAVG: 757000 -10.1136 -6.2739 15.3927 -4.05413 6.7125 15.9085 13.3175 19.6478 -3.0504 TIMING: 757000 CPU: 2359.2, 0.00311782/step Wall: 2359.2, 0.00311782/step, 3.67469 hours remaining, 235.589844 MB of memory in use. ENERGY: 757000 3978.8774 20474.1658 14354.5886 248.2315 -202807.1752 2787.5566 0.0000 0.0000 51917.9158 -109045.8396 298.3730 -160963.7554 -108678.6098 298.6936 26.6725 47.4668 765864.2989 -2.2126 -2.1505 PRESSURE: 757200 -170.527 -69.6831 -29.5319 -69.6835 -87.5782 299.681 -29.5317 299.681 -308.975 GPRESSURE: 757200 -120.082 -221.898 -126.594 -88.1614 -100.869 301.179 36.226 242.059 -271.059 PRESSAVG: 757200 1.11123 -6.20335 50.1085 -6.20334 2.45008 29.5069 50.1085 29.5068 20.5446 GPRESSAVG: 757200 0.507925 -6.5069 50.0604 -7.43287 3.29207 28.0509 49.7669 29.228 20.3319 TIMING: 757200 CPU: 2359.82, 0.00310372/step Wall: 2359.82, 0.00310372/step, 3.6579 hours remaining, 235.589844 MB of memory in use. ENERGY: 757200 4020.4253 20351.5748 14447.3180 261.4071 -203071.0988 2641.0477 0.0000 0.0000 52155.9247 -109193.4011 299.7408 -161349.3258 -108828.5480 298.7190 -189.0266 -164.0033 763734.1188 8.0353 8.0440 PRESSURE: 757400 100.226 -59.3895 -243.812 -59.3893 328.088 136.136 -243.812 136.137 -19.6233 GPRESSURE: 757400 160.394 -50.6855 -290.257 -82.9061 270.652 136.64 -170.861 164.2 51.9568 PRESSAVG: 757400 10.0324 -16.6698 -34.881 -16.6698 1.2087 30.9305 -34.881 30.9305 9.85716 GPRESSAVG: 757400 8.90387 -15.7026 -33.7961 -16.6957 1.37532 33.0208 -33.7364 27.7522 10.489 TIMING: 757400 CPU: 2360.44, 0.00311751/step Wall: 2360.44, 0.00311751/step, 3.67399 hours remaining, 235.589844 MB of memory in use. ENERGY: 757400 3986.1068 20545.0218 14475.4640 239.5727 -203291.5747 3037.7381 0.0000 0.0000 51990.0177 -109017.6536 298.7873 -161007.6712 -108665.4392 298.8044 136.2302 161.0009 761811.3579 7.0328 6.9227 PRESSURE: 757600 -42.4263 -77.425 210.413 -77.4257 52.4684 -10.7873 210.413 -10.7875 -139.801 GPRESSURE: 757600 -62.2014 14.4726 147.072 -11.8375 121.348 -4.26914 258.871 125.806 -111.682 PRESSAVG: 757600 61.2779 24.3056 0.761962 24.3056 -40.9587 89.7945 0.761917 89.7945 -7.61393 GPRESSAVG: 757600 61.7845 23.4858 0.791233 23.594 -41.0761 90.5587 1.48866 89.7087 -7.48779 TIMING: 757600 CPU: 2361.07, 0.00310917/step Wall: 2361.07, 0.00310917/step, 3.66398 hours remaining, 235.589844 MB of memory in use. ENERGY: 757600 4051.3223 20474.2013 14424.8927 230.0825 -203075.4221 2747.6189 0.0000 0.0000 52232.1353 -108915.1691 300.1788 -161147.3044 -108549.4364 299.2119 -43.2528 -17.5117 762436.2953 4.2351 4.4069 PRESSURE: 757800 -14.0934 -180.121 -59.4279 -180.122 -95.2723 -170.139 -59.427 -170.139 184.534 GPRESSURE: 757800 -3.92187 -142.993 -118.601 -204.106 41.9019 -236.893 -157.586 -136.868 115.162 PRESSAVG: 757800 22.4676 -11.6622 9.91865 -11.6623 -25.6354 -12.1279 9.91861 -12.1279 -3.39126 GPRESSAVG: 757800 23.5336 -11.1715 9.33813 -11.6472 -26.1794 -13.0007 5.93174 -10.6956 -3.85139 TIMING: 757800 CPU: 2361.69, 0.00312541/step Wall: 2361.69, 0.00312541/step, 3.68295 hours remaining, 235.589844 MB of memory in use. ENERGY: 757800 3971.8396 20497.8897 14396.9622 252.1428 -202863.2422 2729.2762 0.0000 0.0000 52063.6144 -108951.5172 299.2103 -161015.1316 -108585.1843 299.0408 25.0560 51.0473 762405.4688 -2.1863 -2.1657 PRESSURE: 758000 -224.881 -5.29527 -70.1619 -5.29579 154.946 -132.178 -70.1622 -132.179 -189.226 GPRESSURE: 758000 -112.267 45.1664 -50.6809 96.8025 83.8069 -146.026 28.6495 -78.5427 -138.915 PRESSAVG: 758000 20.8937 22.1974 25.5995 22.1974 -18.1935 4.29304 25.5995 4.29305 -20.9122 GPRESSAVG: 758000 19.6295 20.3172 24.9096 23.5266 -18.1182 3.9188 27.9047 5.20428 -20.0026 TIMING: 758000 CPU: 2362.32, 0.00312404/step Wall: 2362.32, 0.00312404/step, 3.68116 hours remaining, 235.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 758000 4034.7416 20526.6532 14546.8580 235.5846 -203316.8366 2676.2972 0.0000 0.0000 52423.9856 -108872.7164 301.2814 -161296.7020 -108509.0882 299.8538 -86.3869 -55.7919 761369.5994 -6.0707 -6.1638 PRESSURE: 758200 7.97288 93.4335 -135.733 93.433 277.349 257.832 -135.733 257.833 72.5779 GPRESSURE: 758200 70.9507 156.935 -122.929 184.092 296.001 240.422 -154.218 222.225 66.3179 PRESSAVG: 758200 -40.9481 -53.1927 -29.9573 -53.1928 49.633 6.98533 -29.9573 6.9854 -10.752 GPRESSAVG: 758200 -40.8983 -50.8051 -30.0964 -53.4648 50.1279 9.01814 -29.5759 4.44591 -11.0877 TIMING: 758200 CPU: 2362.94, 0.00312317/step Wall: 2362.94, 0.00312317/step, 3.67996 hours remaining, 235.589844 MB of memory in use. ENERGY: 758200 3985.4394 20658.4963 14405.4183 252.0707 -203493.5846 3119.9479 0.0000 0.0000 52088.2865 -108983.9254 299.3521 -161072.2119 -108631.5941 299.5642 119.3001 144.4231 761728.9533 -0.6890 -0.6194 PRESSURE: 758400 302.944 -31.9448 -39.385 -31.9446 34.5862 -26.0763 -39.385 -26.0755 49.4499 GPRESSURE: 758400 282.662 117.929 -39.0778 -132.389 86.4229 60.9003 83.2927 117.041 99.4438 PRESSAVG: 758400 2.0082 -18.5803 -29.9768 -18.5803 7.61538 8.34853 -29.9768 8.34857 38.6481 GPRESSAVG: 758400 2.30645 -19.1236 -30.7716 -19.5658 6.93646 8.86524 -29.6753 7.60625 38.5995 TIMING: 758400 CPU: 2363.56, 0.00310856/step Wall: 2363.56, 0.00310856/step, 3.66257 hours remaining, 235.589844 MB of memory in use. ENERGY: 758400 4005.2832 20768.7028 14354.6817 245.5461 -203340.9649 3000.8575 0.0000 0.0000 51780.8319 -109185.0616 297.5852 -160965.8935 -108827.9592 298.8598 128.9934 156.1763 762605.0847 16.0906 15.9475 PRESSURE: 758600 -36.0578 -235.257 178.032 -235.256 -269.658 -181.897 178.031 -181.897 94.4951 GPRESSURE: 758600 -49.214 -131.757 228.64 -203.158 -107.704 -240.866 222.801 -84.2293 17.9805 PRESSAVG: 758600 2.1019 -14.4415 57.9062 -14.4415 13.2332 -68.4412 57.9062 -68.4411 -36.04 GPRESSAVG: 758600 0.641073 -16.629 59.5881 -12.9257 15.021 -69.8569 57.3395 -67.4614 -36.152 TIMING: 758600 CPU: 2364.18, 0.0031007/step Wall: 2364.18, 0.0031007/step, 3.65315 hours remaining, 235.589844 MB of memory in use. ENERGY: 758600 3942.6578 20538.4410 14395.7575 246.3594 -203407.7646 2909.0786 0.0000 0.0000 51935.3360 -109440.1342 298.4731 -161375.4702 -109070.7949 298.9441 -70.4070 -46.3124 763192.8028 -6.9016 -6.8300 PRESSURE: 758800 -47.9286 -5.48475 130.47 -5.48353 318.769 -15.0073 130.471 -15.0084 433.209 GPRESSURE: 758800 67.5988 102.163 154.522 51.1176 262.896 2.79091 89.3076 -120.847 468.781 PRESSAVG: 758800 -1.60957 19.2274 43.2296 19.2275 29.5471 -9.20326 43.2296 -9.2032 11.3423 GPRESSAVG: 758800 -1.23328 23.6488 42.8544 17.7504 28.7197 -6.93233 43.6983 -7.87921 12.1829 TIMING: 758800 CPU: 2364.81, 0.00312182/step Wall: 2364.81, 0.00312182/step, 3.67785 hours remaining, 235.589844 MB of memory in use. ENERGY: 758800 3976.9119 20391.6046 14545.2570 241.0744 -204036.4376 3127.5813 0.0000 0.0000 52200.8007 -109553.2078 299.9987 -161754.0085 -109184.4390 298.7506 234.6831 266.4254 762399.0648 13.0933 13.2231 PRESSURE: 759000 -114.524 96.296 -276.659 96.2965 -14.3866 -28.8694 -276.659 -28.87 187.731 GPRESSURE: 759000 -67.9667 -34.3732 -308.688 157.651 53.0798 46.4086 -220.835 -45.9055 169.011 PRESSAVG: 759000 33.4143 -0.254238 26.3393 -0.254184 -12.7706 -60.424 26.3393 -60.4239 -13.4671 GPRESSAVG: 759000 34.8884 -2.68266 26.807 -0.562472 -13.1023 -62.7266 25.9605 -58.7436 -14.9918 TIMING: 759000 CPU: 2365.43, 0.00311868/step Wall: 2365.43, 0.00311868/step, 3.67398 hours remaining, 235.589844 MB of memory in use. ENERGY: 759000 3946.1392 20634.4151 14492.9096 257.6680 -203691.6473 2993.0531 0.0000 0.0000 52015.5112 -109351.9510 298.9339 -161367.4622 -108989.9984 298.6610 19.6069 51.3748 763314.5474 2.3922 2.2648 PRESSURE: 759200 -232.436 -20.1153 91.3185 -20.1155 95.7019 -47.6481 91.3187 -47.6481 19.5739 GPRESSURE: 759200 -267.203 60.4982 125.111 45.8878 91.1914 26.5151 135.501 -156.986 144.74 PRESSAVG: 759200 46.9005 80.2554 -15.1649 80.2555 -16.5501 -10.3008 -15.165 -10.3008 8.95347 GPRESSAVG: 759200 44.5651 81.1095 -15.8697 80.9189 -16.2801 -8.84353 -16.4436 -15.0526 11.0152 TIMING: 759200 CPU: 2366.06, 0.0031293/step Wall: 2366.06, 0.0031293/step, 3.68632 hours remaining, 235.589844 MB of memory in use. ENERGY: 759200 4000.4981 20560.5063 14599.8867 247.0962 -203699.1442 3074.0002 0.0000 0.0000 52003.2607 -109213.8960 298.8635 -161217.1567 -108846.2794 298.9430 -39.0533 -10.4242 762854.3495 13.1013 13.1001 PRESSURE: 759400 -168.672 -121.104 171.252 -121.105 -547.933 -161.612 171.253 -161.613 276.469 GPRESSURE: 759400 -103.939 -124.056 279.914 -221.076 -473.216 -87.7552 150.966 -33.3384 217.658 PRESSAVG: 759400 -42.2097 26.1149 26.0119 26.1148 18.7496 -14.6596 26.0119 -14.6596 12.806 GPRESSAVG: 759400 -39.9151 24.2655 27.3441 25.8347 18.5031 -14.938 27.0523 -13.3283 10.9153 TIMING: 759400 CPU: 2366.68, 0.00311408/step Wall: 2366.68, 0.00311408/step, 3.66821 hours remaining, 235.589844 MB of memory in use. ENERGY: 759400 3942.7052 20678.9021 14447.2399 253.0067 -202993.2005 2723.5067 0.0000 0.0000 52025.3285 -108922.5112 298.9903 -160947.8398 -108554.1226 299.1588 -146.7122 -119.8324 764605.7090 -3.5514 -3.4989 PRESSURE: 759600 -56.8373 -130.75 -178.086 -130.749 -533.751 -101.033 -178.086 -101.034 -55.1383 GPRESSURE: 759600 -136.026 -89.4714 -225.262 -24.8861 -364.218 -7.15428 -114.358 -83.4542 -62.9142 PRESSAVG: 759600 22.8683 40.4286 27.1503 40.4286 -32.8274 -52.7754 27.1503 -52.7754 1.48583 GPRESSAVG: 759600 21.5573 41.1306 24.4526 40.2727 -30.5767 -52.4249 27.0284 -51.0688 0.74666 TIMING: 759600 CPU: 2367.3, 0.0031101/step Wall: 2367.3, 0.0031101/step, 3.66335 hours remaining, 235.589844 MB of memory in use. ENERGY: 759600 4011.2522 20405.5528 14550.4027 253.5097 -202913.3964 2705.8885 0.0000 0.0000 51972.7375 -109014.0531 298.6880 -160986.7906 -108654.6468 299.1645 -215.2421 -187.7192 764415.9322 -2.8244 -2.7576 PRESSURE: 759800 36.692 54.5687 80.7787 54.5685 -196.931 142.889 80.7794 142.89 -527.873 GPRESSURE: 759800 -26.1723 141.496 49.4093 -25.3571 -109.179 144.734 -24.1721 111.594 -487.341 PRESSAVG: 759800 21.1563 -4.1988 20.5602 -4.19879 -52.7851 -45.3919 20.5602 -45.392 -13.43 GPRESSAVG: 759800 19.9902 -4.29658 22.944 -2.70578 -53.8469 -45.7743 18.7403 -46.1967 -11.4436 TIMING: 759800 CPU: 2367.92, 0.00310909/step Wall: 2367.92, 0.00310909/step, 3.66199 hours remaining, 235.589844 MB of memory in use. ENERGY: 759800 4015.2153 20616.8245 14500.5601 231.8336 -203271.6749 2732.6386 0.0000 0.0000 52032.2723 -109142.3306 299.0302 -161174.6030 -108792.0784 299.1555 -229.3706 -207.5641 764443.3754 -15.0196 -15.1001 PRESSURE: 760000 -204.668 -108.892 154.809 -108.891 -21.7274 170.929 154.81 170.929 217.988 GPRESSURE: 760000 -174.817 -146.98 126.718 -190.75 1.18012 100.011 98.7006 49.9769 237.371 PRESSAVG: 760000 -21.2473 37.8416 0.746882 37.8416 59.7985 31.9146 0.746928 31.9146 16.7704 GPRESSAVG: 760000 -20.3541 39.7223 -0.485253 36.9724 59.8634 30.9974 2.30306 32.7996 15.7727 TIMING: 760000 CPU: 2368.54, 0.00311254/step Wall: 2368.54, 0.00311254/step, 3.66589 hours remaining, 235.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 760000 3957.9334 20586.5987 14426.1516 250.7766 -202971.9053 2566.8402 0.0000 0.0000 51915.5480 -109268.0568 298.3594 -161183.6048 -108898.6728 298.2313 -2.8024 21.2446 763551.3148 18.4405 18.4273 PRESSURE: 760200 246.013 98.9932 18.9922 98.9916 106.563 -128.038 18.9919 -128.037 36.2921 GPRESSURE: 760200 243.824 -27.1615 3.62982 72.6488 108.979 -145.202 -46.2551 -138.06 95.6409 PRESSAVG: 760200 -17.2954 18.6129 28.3574 18.6129 36.5992 15.4881 28.3574 15.488 16.4282 GPRESSAVG: 760200 -16.6932 16.7889 30.0144 20.8945 35.0853 15.6573 28.1849 13.263 17.6007 TIMING: 760200 CPU: 2369.17, 0.00311409/step Wall: 2369.17, 0.00311409/step, 3.66753 hours remaining, 235.589844 MB of memory in use. ENERGY: 760200 3914.9928 20601.0644 14402.9013 242.0046 -203327.1843 2759.4803 0.0000 0.0000 52131.1581 -109275.5828 299.5985 -161406.7409 -108916.3318 297.7582 129.6230 149.4815 762159.4121 11.9107 11.9976 LDB: ============= START OF LOAD BALANCING ============== 2381.65 LDB: ============== END OF LOAD BALANCING =============== 2381.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2381.65 LDB: ============= START OF LOAD BALANCING ============== 2381.96 LDB: Largest compute 6972 load 0.031327 is 16.1% of average load 0.194892 LDB: Average compute 0.004396 is 2.3% of average load 0.194892 LDB: TIME 2381.96 LOAD: AVG 0.194892 MAX 0.215692 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.363 MB LDB: TIME 2381.96 LOAD: AVG 0.194892 MAX 0.215692 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.438 MB LDB: TIME 2381.96 LOAD: AVG 0.194892 MAX 0.215692 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.438 MB LDB: ============== END OF LOAD BALANCING =============== 2381.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2381.97 PRESSURE: 760400 146.698 -100.089 -77.9613 -100.089 8.09034 43.0595 -77.9612 43.0598 253.957 GPRESSURE: 760400 176.179 -66.393 -121.827 49.6202 78.5011 -12.0015 -84.172 47.8058 244.315 PRESSAVG: 760400 32.4239 3.49645 -9.30729 3.49646 5.91384 -28.4663 -9.30729 -28.4663 -9.53795 GPRESSAVG: 760400 32.4387 4.81011 -10.258 1.68404 6.91034 -28.3805 -7.57597 -28.212 -10.8521 TIMING: 760400 CPU: 2369.8, 0.0031835/step Wall: 2369.8, 0.0031835/step, 3.74911 hours remaining, 234.675781 MB of memory in use. ENERGY: 760400 4032.6188 20499.4726 14408.5451 248.9695 -202873.9179 2570.0245 0.0000 0.0000 52237.4929 -108876.7944 300.2096 -161114.2873 -108508.2528 298.7788 136.2485 166.3316 763111.9045 9.5999 9.4990 PRESSURE: 760600 -315.403 -12.8412 117.013 -12.8416 17.5528 58.6232 117.014 58.6237 -256.098 GPRESSURE: 760600 -260.471 -13.7337 63.69 60.5457 37.9762 85.5069 127.694 -85.8062 -237.962 PRESSAVG: 760600 -32.8425 -22.4202 -16.5295 -22.4203 -32.0778 19.674 -16.5295 19.674 13.9026 GPRESSAVG: 760600 -33.9457 -23.9219 -17.6924 -20.9075 -30.6475 21.2628 -18.2839 21.2105 13.7162 TIMING: 760600 CPU: 2370.43, 0.00312179/step Wall: 2370.43, 0.00312178/step, 3.67625 hours remaining, 234.675781 MB of memory in use. ENERGY: 760600 4077.7904 20486.5483 14469.6196 255.1322 -202976.3314 2880.0098 0.0000 0.0000 52161.8896 -108645.3414 299.7751 -160807.2310 -108289.4647 299.3683 -184.6493 -153.4855 763607.7319 -17.0059 -16.9590 PRESSURE: 760800 200.558 309.322 -77.1881 309.322 401.778 53.8238 -77.187 53.824 523.235 GPRESSURE: 760800 316.89 311.86 -110.933 162.328 304.33 8.67071 -129.574 94.3831 581.377 PRESSAVG: 760800 23.3017 -5.52966 33.1773 -5.52965 37.3627 -0.599206 33.1772 -0.599183 -11.3062 GPRESSAVG: 760800 24.3104 -6.43553 34.7011 -4.71224 34.8719 -1.9494 33.9645 -0.687238 -10.5677 TIMING: 760800 CPU: 2371.05, 0.0031114/step Wall: 2371.05, 0.0031114/step, 3.66385 hours remaining, 234.675781 MB of memory in use. ENERGY: 760800 3948.9847 20491.4456 14498.5705 256.4137 -202763.1975 2814.6451 0.0000 0.0000 52176.8334 -108576.3046 299.8610 -160753.1380 -108208.6958 299.1526 375.1904 400.8658 763121.0755 16.4527 16.2049 PRESSURE: 761000 -19.4439 121.622 49.9182 121.622 8.94734 -165.246 49.919 -165.246 3.26852 GPRESSURE: 761000 -15.262 72.2651 28.4886 71.6052 37.3625 -113.819 120.063 -130.335 45.2025 PRESSAVG: 761000 -106.456 -7.17053 -32.9371 -7.1705 80.646 -61.9402 -32.9371 -61.9402 -11.0523 GPRESSAVG: 761000 -107.092 -7.7401 -34.169 -8.69467 80.441 -62.3423 -32.2086 -61.983 -10.5621 TIMING: 761000 CPU: 2371.68, 0.00313246/step Wall: 2371.68, 0.00313246/step, 3.68847 hours remaining, 234.675781 MB of memory in use. ENERGY: 761000 3979.4485 20527.0602 14510.9278 222.7967 -203143.9540 3070.5835 0.0000 0.0000 51977.7391 -108855.3982 298.7168 -160833.1374 -108491.5916 299.1645 -2.4094 22.4343 763745.3132 -12.2876 -12.4042 PRESSURE: 761200 68.8569 37.0046 91.8055 37.0049 346.883 68.3544 91.8061 68.3552 -256.029 GPRESSURE: 761200 139.835 120.925 119.695 -53.1615 320.904 81.5833 93.1935 14.0684 -221.855 PRESSAVG: 761200 -6.09176 -27.4111 4.80021 -27.4111 -12.7041 -32.8535 4.8002 -32.8535 11.4567 GPRESSAVG: 761200 -6.27165 -25.2775 4.98385 -26.8482 -12.8606 -31.8566 5.08517 -35.3321 11.3267 TIMING: 761200 CPU: 2372.3, 0.00310659/step Wall: 2372.3, 0.00310659/step, 3.65784 hours remaining, 234.675781 MB of memory in use. ENERGY: 761200 3962.9737 20585.2405 14426.2680 252.2527 -203116.1562 2841.6603 0.0000 0.0000 52190.0451 -108857.7158 299.9369 -161047.7609 -108482.6475 299.0263 53.2371 79.6279 763049.8202 -2.4464 -2.6018 PRESSURE: 761400 267.83 -101.891 -98.504 -101.892 106.078 20.2094 -98.5047 20.2095 -1.88867 GPRESSURE: 761400 246.449 -85.1844 -68.1271 -124.939 87.0698 17.8272 -50.8486 -26.5642 105.371 PRESSAVG: 761400 58.829 -2.95218 13.9689 -2.95222 15.166 -5.75861 13.9688 -5.75858 -18.5221 GPRESSAVG: 761400 58.6129 -4.07298 16.0199 -3.63257 15.3846 -7.59536 13.5695 -3.75159 -18.4558 TIMING: 761400 CPU: 2372.92, 0.003118/step Wall: 2372.92, 0.003118/step, 3.6711 hours remaining, 234.675781 MB of memory in use. ENERGY: 761400 3962.1344 20615.3875 14424.0144 238.5198 -202790.1897 2678.0675 0.0000 0.0000 52077.6842 -108794.3820 299.2912 -160872.0661 -108434.1385 299.2043 124.0065 146.2967 763597.7528 18.4910 18.5139 PRESSURE: 761600 -396.537 -80.5089 -195.482 -80.5098 -480.103 38.6141 -195.481 38.614 -74.2616 GPRESSURE: 761600 -365.329 -109.87 -226.247 -25.35 -408.817 -28.66 -74.9166 -28.5498 -94.4402 PRESSAVG: 761600 -32.5386 -26.9506 -12.3198 -26.9506 41.6314 7.49456 -12.3198 7.49456 -12.2466 GPRESSAVG: 761600 -32.4739 -27.3278 -12.7574 -24.9705 41.6588 8.47595 -12.8302 9.61911 -12.2733 TIMING: 761600 CPU: 2373.55, 0.00311396/step Wall: 2373.55, 0.00311396/step, 3.66617 hours remaining, 234.675781 MB of memory in use. ENERGY: 761600 4065.7960 20518.4289 14466.5085 245.2186 -202558.7091 2440.3784 0.0000 0.0000 52168.7253 -108653.6533 299.8144 -160822.3786 -108285.9563 299.2515 -316.9673 -289.5285 766005.2353 -1.0513 -1.0295 PRESSURE: 761800 11.1192 360.967 175.132 360.967 -43.0806 65.5125 175.132 65.5121 -67.0043 GPRESSURE: 761800 35.454 276.442 248.27 335.877 -48.7585 40.134 180.532 -5.59778 11.4105 PRESSAVG: 761800 -29.7372 42.0978 15.8718 42.0978 -6.48909 6.83273 15.8718 6.83272 2.42877 GPRESSAVG: 761800 -29.3618 42.2468 13.4195 40.9269 -7.21652 7.34702 16.1434 4.53265 3.14002 TIMING: 761800 CPU: 2374.17, 0.00312492/step Wall: 2374.17, 0.00312492/step, 3.6789 hours remaining, 234.675781 MB of memory in use. ENERGY: 761800 3986.7076 20660.7525 14496.0998 261.7707 -202581.8655 2682.6938 0.0000 0.0000 52003.3436 -108490.4975 298.8639 -160493.8411 -108137.0397 299.3795 -32.9885 -0.6313 764406.6769 -11.2658 -11.1461 PRESSURE: 762000 -142.913 -42.3031 148.606 -42.3028 -119.772 227.096 148.607 227.096 130.096 GPRESSURE: 762000 -60.2311 -50.5803 181.267 -62.5035 -98.5905 202.147 129.05 204.015 101.425 PRESSAVG: 762000 -1.43435 -13.4229 18.2675 -13.4229 -15.0604 13.4339 18.2676 13.4339 2.28182 GPRESSAVG: 762000 -1.45156 -11.4875 19.5783 -13.852 -14.72 12.9516 18.4694 14.4777 1.29846 TIMING: 762000 CPU: 2374.79, 0.00311747/step Wall: 2374.79, 0.00311747/step, 3.66996 hours remaining, 234.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 762000 4026.7140 20679.9171 14396.1224 240.6298 -203032.3277 2775.0032 0.0000 0.0000 52484.6948 -108429.2463 301.6303 -160913.9411 -108058.6725 300.5298 -44.1963 -19.1322 764238.7118 -4.7376 -4.9577 PRESSURE: 762200 390.315 -15.9319 68.4146 -15.9313 104.494 36.1638 68.4142 36.164 303.565 GPRESSURE: 762200 422.12 101.344 84.0046 -67.439 99.7498 73.7758 54.0093 -13.2596 355.891 PRESSAVG: 762200 59.0548 -0.70048 1.51345 -0.700507 -16.8425 -0.151724 1.5135 -0.151776 16.564 GPRESSAVG: 762200 59.8253 -2.17211 1.6437 0.361837 -16.9126 1.58271 0.794937 -0.559976 16.1525 TIMING: 762200 CPU: 2375.42, 0.00311055/step Wall: 2375.42, 0.00311055/step, 3.66163 hours remaining, 234.675781 MB of memory in use. ENERGY: 762200 4094.6473 20508.0436 14455.4476 258.2319 -202790.2599 2922.6581 0.0000 0.0000 52100.9849 -108450.2465 299.4251 -160551.2314 -108098.1129 300.4198 266.1244 292.5869 764747.1817 19.5921 19.6884 PRESSURE: 762400 -168.303 20.8207 -410.278 20.8197 92.2256 -222.36 -410.278 -222.36 -195.577 GPRESSURE: 762400 -132.47 16.7163 -359.365 10.877 123.261 -168.373 -300.3 -104.396 -181.764 PRESSAVG: 762400 -33.5045 22.9243 -7.95189 22.9243 -23.2921 22.5408 -7.9519 22.5408 -18.3467 GPRESSAVG: 762400 -35.2825 24.9808 -8.0867 19.6748 -23.2227 20.6686 -5.81609 24.6724 -16.237 TIMING: 762400 CPU: 2376.04, 0.00311782/step Wall: 2376.04, 0.00311782/step, 3.67002 hours remaining, 234.675781 MB of memory in use. ENERGY: 762400 4015.2029 20617.5498 14482.4532 240.3210 -202316.4717 2548.7775 0.0000 0.0000 52124.7291 -108287.4382 299.5615 -160412.1673 -107916.5172 300.1648 -90.5515 -63.6576 763827.1857 -25.0478 -24.9141 PRESSURE: 762600 -175.829 -67.8275 -124.416 -67.8278 -432.204 91.2653 -124.415 91.2645 -561.745 GPRESSURE: 762600 -143.961 -65.4835 -108.554 -40.9681 -398.62 117.057 -97.7274 162.482 -535.028 PRESSAVG: 762600 18.6056 41.8202 -12.4065 41.8202 -8.7101 -37.8101 -12.4064 -37.8101 9.67685 GPRESSAVG: 762600 19.8653 40.0771 -12.0569 44.2047 -9.16229 -38.5906 -14.5202 -39.2519 9.09286 TIMING: 762600 CPU: 2376.67, 0.00313563/step Wall: 2376.67, 0.00313563/step, 3.69081 hours remaining, 234.675781 MB of memory in use. ENERGY: 762600 4002.8115 20747.9711 14542.0017 263.3377 -202531.4185 2519.3708 0.0000 0.0000 52247.9703 -108207.9554 300.2698 -160455.9257 -107843.3709 300.4415 -389.9259 -359.2030 764549.8530 6.5241 6.5986 PRESSURE: 762800 -292.558 130.417 194.879 130.417 -106.713 -176.82 194.879 -176.82 -151.444 GPRESSURE: 762800 -168.724 173.367 125.139 107.288 -91.8538 -264.034 263.096 -111.989 -208.852 PRESSAVG: 762800 26.1806 -32.2381 -26.1348 -32.2381 -13.7353 22.7425 -26.1348 22.7425 12.8905 GPRESSAVG: 762800 26.7571 -31.055 -26.3394 -33.6047 -13.7553 24.3552 -26.6855 22.5275 12.3413 TIMING: 762800 CPU: 2377.3, 0.00315198/step Wall: 2377.3, 0.00315198/step, 3.70988 hours remaining, 234.675781 MB of memory in use. ENERGY: 762800 4026.4188 20482.9353 14562.1493 251.9492 -203004.8671 2845.5998 0.0000 0.0000 52286.6126 -108549.2021 300.4919 -160835.8146 -108185.6118 299.6702 -183.5716 -156.4763 763329.1150 8.4453 8.4477 PRESSURE: 763000 294.857 201.413 -61.0201 201.414 19.0223 42.9877 -61.0202 42.9872 588.516 GPRESSURE: 763000 260.672 120.592 -2.09342 123.696 86.0559 -65.5945 -114.121 136.561 628.963 PRESSAVG: 763000 -9.88296 34.1607 -11.0905 34.1607 29.7211 -73.222 -11.0905 -73.222 7.26166 GPRESSAVG: 763000 -10.3533 33.019 -11.8211 36.9246 30.4093 -73.5103 -10.4303 -74.9258 7.19978 TIMING: 763000 CPU: 2377.92, 0.00312143/step Wall: 2377.92, 0.00312143/step, 3.67375 hours remaining, 234.675781 MB of memory in use. ENERGY: 763000 4019.6558 20516.9758 14544.8625 249.0911 -203207.2959 2998.3756 0.0000 0.0000 52185.4097 -108692.9254 299.9103 -160878.3351 -108331.3127 299.0722 300.7983 325.2300 762466.0833 9.0333 9.0853 PRESSURE: 763200 255.332 76.5104 -174.924 76.5103 -332.769 225.337 -174.924 225.336 145.07 GPRESSURE: 763200 273.321 -16.7329 -185.764 -15.7363 -226.148 285.544 -44.8186 200.615 102.926 PRESSAVG: 763200 24.8034 -22.8931 -1.11281 -22.893 -14.9988 -1.26371 -1.11287 -1.26369 -6.18536 GPRESSAVG: 763200 23.2626 -23.1659 -0.142075 -24.0945 -15.4912 -0.586772 -1.69024 -1.44525 -4.35304 TIMING: 763200 CPU: 2378.54, 0.00311631/step Wall: 2378.54, 0.00311631/step, 3.66755 hours remaining, 234.675781 MB of memory in use. ENERGY: 763200 3963.6348 20601.0829 14512.4604 247.9268 -203390.9912 2706.5308 0.0000 0.0000 52566.9939 -108792.3615 302.1032 -161359.3555 -108424.5556 299.3825 22.5445 50.0330 760678.6054 1.2064 1.1394 PRESSURE: 763400 190.36 -68.9651 -45.3941 -68.9646 274.772 55.4822 -45.3932 55.4827 -79.2862 GPRESSURE: 763400 94.5091 -20.2428 -55.7638 70.2101 354.125 6.47112 -126.981 50.0709 1.49453 PRESSAVG: 763400 -5.92924 35.352 -45.0742 35.3519 8.89094 4.90003 -45.0741 4.90007 -9.32731 GPRESSAVG: 763400 -4.21352 36.5783 -44.8548 34.9613 9.79711 4.97976 -46.0718 4.52043 -11.0212 TIMING: 763400 CPU: 2379.17, 0.00314363/step Wall: 2379.17, 0.00314363/step, 3.69953 hours remaining, 234.675781 MB of memory in use. ENERGY: 763400 4001.7805 20622.4621 14499.0635 240.1099 -203351.0260 2859.9393 0.0000 0.0000 52233.2658 -108894.4049 300.1853 -161127.6707 -108531.7452 299.4745 128.6154 150.0429 763365.4521 -2.1219 -1.8125 PRESSURE: 763600 105.163 71.4572 -119.757 71.457 22.0769 154.676 -119.756 154.675 -511.663 GPRESSURE: 763600 110.729 43.495 -47.9509 117.421 78.5991 296.104 -102.851 121.542 -493.26 PRESSAVG: 763600 -10.533 36.0871 -23.0571 36.087 21.4798 -16.661 -23.0571 -16.661 10.5357 GPRESSAVG: 763600 -10.1013 36.779 -24.6945 36.728 20.6279 -17.4712 -22.9018 -14.706 11.3538 TIMING: 763600 CPU: 2379.8, 0.00312287/step Wall: 2379.8, 0.00312287/step, 3.67492 hours remaining, 234.675781 MB of memory in use. ENERGY: 763600 4018.2853 20583.7426 14560.4429 241.9254 -203205.8247 2888.0911 0.0000 0.0000 51916.8752 -108996.4623 298.3670 -160913.3374 -108637.5883 299.6500 -128.1409 -101.3106 763945.1661 7.1608 7.2935 PRESSURE: 763800 -119.121 138.183 197.869 138.183 -229.538 -231.58 197.87 -231.58 -32.3703 GPRESSURE: 763800 -207.063 29.6351 168.381 4.61098 -186.438 -194.45 93.5574 -322.037 83.1567 PRESSAVG: 763800 -7.50183 49.9839 -9.55054 49.984 14.1332 -14.3209 -9.5505 -14.3209 -5.51662 GPRESSAVG: 763800 -7.97465 47.7949 -8.17777 48.8726 13.8723 -12.7937 -9.28428 -14.9309 -4.78249 TIMING: 763800 CPU: 2380.42, 0.00311973/step Wall: 2380.42, 0.00311973/step, 3.67105 hours remaining, 234.675781 MB of memory in use. ENERGY: 763800 4002.4983 20497.7620 14558.3747 221.0815 -203144.0997 2803.0453 0.0000 0.0000 52180.8198 -108880.5181 299.8839 -161061.3378 -108520.5954 298.7833 -127.0098 -103.4483 765577.4936 0.3716 0.3717 PRESSURE: 764000 79.3692 114.674 68.3051 114.674 -333.902 135.879 68.3043 135.879 2.66417 GPRESSURE: 764000 129.717 256.801 100.491 152.807 -324.395 113.444 46.2074 145.865 15.439 PRESSAVG: 764000 14.0434 23.2821 28.2701 23.282 -13.0848 20.3319 28.2701 20.3319 5.17067 GPRESSAVG: 764000 13.9561 24.4649 26.3827 26.4151 -12.2152 20.086 27.7615 20.6803 4.36246 TIMING: 764000 CPU: 2381.04, 0.00309739/step Wall: 2381.04, 0.00309739/step, 3.6446 hours remaining, 234.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 764000 4063.3949 20445.6882 14553.1889 266.8660 -202856.0123 2843.4386 0.0000 0.0000 51770.3809 -108913.0547 297.5251 -160683.4356 -108553.9386 299.1197 -83.9563 -59.7466 766442.5618 2.0431 2.0345 PRESSURE: 764200 382.184 128.801 -261.323 128.801 -33.1411 104.186 -261.323 104.185 242.738 GPRESSURE: 764200 302.119 112.177 -198.153 33.8429 92.3596 44.5904 -225.614 67.891 274.818 PRESSAVG: 764200 6.78877 -42.5472 -51.1552 -42.5473 -62.4743 -33.5973 -51.1552 -33.5972 -5.93797 GPRESSAVG: 764200 7.6195 -42.4645 -48.9243 -43.9411 -63.4354 -34.7508 -49.0968 -33.2437 -5.99381 TIMING: 764200 CPU: 2381.66, 0.00311604/step Wall: 2381.66, 0.00311604/step, 3.66636 hours remaining, 234.675781 MB of memory in use. ENERGY: 764200 3950.6841 20482.4877 14507.5829 262.6444 -203309.4323 3067.2633 0.0000 0.0000 52059.2831 -108979.4868 299.1854 -161038.7699 -108612.8306 298.7326 197.2606 223.0988 765177.4431 -20.5412 -20.6032 LDB: ============= START OF LOAD BALANCING ============== 2394.14 LDB: ============== END OF LOAD BALANCING =============== 2394.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2394.15 LDB: ============= START OF LOAD BALANCING ============== 2394.46 LDB: Largest compute 6985 load 0.029648 is 15.2% of average load 0.194928 LDB: Average compute 0.004388 is 2.3% of average load 0.194928 LDB: TIME 2394.46 LOAD: AVG 0.194928 MAX 0.218841 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.445 MB LDB: TIME 2394.46 LOAD: AVG 0.194928 MAX 0.218841 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.539 MB LDB: TIME 2394.46 LOAD: AVG 0.194928 MAX 0.213187 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.539 MB LDB: ============== END OF LOAD BALANCING =============== 2394.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2394.47 PRESSURE: 764400 -92.3767 -47.313 -148.419 -47.3131 -312.119 -168.559 -148.419 -168.559 391.872 GPRESSURE: 764400 -72.353 -41.9991 -126.669 -82.6004 -280.036 -217.68 -267.624 -161.077 419.506 PRESSAVG: 764400 45.9266 18.5068 -31.7027 18.5069 -24.658 39.7967 -31.7026 39.7967 9.38519 GPRESSAVG: 764400 46.0123 16.7592 -33.1539 17.6351 -24.5793 39.8206 -30.3924 39.2832 9.19617 TIMING: 764400 CPU: 2382.3, 0.0031917/step Wall: 2382.3, 0.0031917/step, 3.75521 hours remaining, 234.730469 MB of memory in use. ENERGY: 764400 3982.0083 20234.4932 14478.1871 230.9197 -202953.9575 2850.7434 0.0000 0.0000 51869.9192 -109307.6866 298.0971 -161177.6057 -108950.1268 298.5195 -4.2079 22.3721 763839.3666 10.2179 10.2097 PRESSURE: 764600 -99.4832 -79.9482 157.82 -79.9483 -15.7839 103.616 157.821 103.617 410.704 GPRESSURE: 764600 -71.2198 151.472 181.478 -47.3504 57.3324 97.0925 193.919 105.309 421.066 PRESSAVG: 764600 32.2542 24.8549 1.03044 24.8549 -18.7971 -24.5047 1.03049 -24.5047 5.96583 GPRESSAVG: 764600 31.4936 26.1774 1.90603 22.5635 -18.4167 -23.4093 -1.15428 -25.0412 5.96828 TIMING: 764600 CPU: 2382.93, 0.00312729/step Wall: 2382.93, 0.00312729/step, 3.67926 hours remaining, 234.933594 MB of memory in use. ENERGY: 764600 3978.3401 20357.0063 14433.9915 257.1794 -203557.5499 3095.4382 0.0000 0.0000 52287.1420 -109148.4522 300.4949 -161435.5943 -108784.0639 298.3799 98.4789 135.7260 763413.2180 6.4743 6.3484 PRESSURE: 764800 -20.1657 -165.394 -89.0119 -165.394 -102.034 64.596 -89.0115 64.5961 -43.2342 GPRESSURE: 764800 23.6055 -86.9714 -93.5897 -192.314 -75.8297 39.2701 -86.6551 3.94228 -27.5167 PRESSAVG: 764800 52.267 21.7167 19.1571 21.7166 -13.4158 -26.6611 19.1571 -26.6611 -3.07142 GPRESSAVG: 764800 52.9127 22.0641 18.912 24.3068 -13.2892 -27.977 18.8128 -26.0046 -3.09393 TIMING: 764800 CPU: 2383.55, 0.00311643/step Wall: 2383.55, 0.00311642/step, 3.6663 hours remaining, 234.933594 MB of memory in use. ENERGY: 764800 3985.8351 20552.9630 14574.5153 236.9135 -203106.0659 2931.5512 0.0000 0.0000 51710.9605 -109113.3274 297.1836 -160824.2879 -108756.2194 298.5297 -55.1447 -26.5803 763754.9074 11.9266 12.1765 PRESSURE: 765000 199.632 -12.6319 -2.64347 -12.6314 -164.17 -211.263 -2.64295 -211.263 555.678 GPRESSURE: 765000 245.178 -4.03025 22.6062 -19.5998 -124.705 -190.546 60.0806 -161.475 550.445 PRESSAVG: 765000 21.5674 2.04956 7.61613 2.04953 -44.6941 -9.65013 7.61611 -9.65014 -10.3521 GPRESSAVG: 765000 21.3864 1.96083 6.74822 2.20676 -45.2877 -9.46665 10.0723 -9.53732 -9.71265 TIMING: 765000 CPU: 2384.18, 0.00312324/step Wall: 2384.18, 0.00312324/step, 3.67415 hours remaining, 234.933594 MB of memory in use. ENERGY: 765000 3948.0491 20359.0348 14543.9582 268.3741 -203382.6309 3139.0188 0.0000 0.0000 51975.9495 -109148.2463 298.7065 -161124.1958 -108787.3148 298.7357 197.0463 223.6395 766020.1549 -11.1596 -11.2046 PRESSURE: 765200 65.2356 -150.821 -16.2401 -150.822 -122.974 -261.314 -16.24 -261.315 -248.175 GPRESSURE: 765200 28.8988 -191.422 38.1701 -160.682 -84.9041 -231.796 126.821 -307.087 -172.643 PRESSAVG: 765200 44.6953 32.8865 9.61962 32.8865 -60.9695 -31.7351 9.61964 -31.7352 -31.3918 GPRESSAVG: 765200 44.4894 30.8934 9.79401 32.8321 -60.7059 -30.6616 6.33035 -32.5561 -31.7022 TIMING: 765200 CPU: 2384.8, 0.0031229/step Wall: 2384.8, 0.0031229/step, 3.67357 hours remaining, 234.933594 MB of memory in use. ENERGY: 765200 4008.9407 20553.0454 14500.2448 257.1720 -202871.1253 2630.5156 0.0000 0.0000 51807.8291 -109113.3778 297.7403 -160921.2068 -108757.1377 298.4690 -101.9713 -76.2163 764981.3122 -15.8886 -15.9729 PRESSURE: 765400 -296.093 21.4389 42.796 21.4389 -238.11 198.004 42.7958 198.003 -49.8417 GPRESSURE: 765400 -295.246 53.7574 64.3753 -60.4309 -115.85 201.968 7.94535 166.266 -88.4409 PRESSAVG: 765400 5.2439 -16.2117 39.2984 -16.2116 -53.3414 -18.0329 39.2983 -18.0329 -8.57721 GPRESSAVG: 765400 3.39588 -15.4372 39.4274 -15.0514 -52.3849 -17.2259 39.8529 -20.3122 -7.3998 TIMING: 765400 CPU: 2385.42, 0.00310609/step Wall: 2385.42, 0.00310609/step, 3.65363 hours remaining, 234.933594 MB of memory in use. ENERGY: 765400 3970.8810 20363.1931 14531.3227 241.4461 -203305.2307 2899.2258 0.0000 0.0000 52069.4924 -109229.6696 299.2441 -161299.1620 -108864.3882 298.0480 -194.6815 -166.5121 763490.1259 -18.8916 -18.7963 PRESSURE: 765600 -324.915 -155.901 196.705 -155.9 -143.348 -30.3976 196.705 -30.397 -87.6486 GPRESSURE: 765600 -199.542 -131.54 146.013 -122.102 -159.755 -30.8092 132.713 -15.2794 -123.659 PRESSAVG: 765600 -27.3393 -75.9396 -12.5826 -75.9395 24.6949 5.74165 -12.5826 5.74152 19.268 GPRESSAVG: 765600 -24.2526 -75.0493 -12.2146 -76.1639 23.5463 5.46324 -11.2888 8.42514 17.2874 TIMING: 765600 CPU: 2386.05, 0.00312653/step Wall: 2386.05, 0.00312653/step, 3.6775 hours remaining, 234.933594 MB of memory in use. ENERGY: 765600 4020.9084 20404.3720 14476.9563 242.4971 -203023.3851 2698.5475 0.0000 0.0000 51828.1484 -109351.9554 297.8571 -161180.1038 -108995.0050 297.8028 -185.3037 -160.9853 764665.5589 5.5412 5.5270 PRESSURE: 765800 67.2849 51.4404 80.0625 51.4408 278.42 -465.65 80.0631 -465.651 -50.7751 GPRESSURE: 765800 171.523 14.0869 129.123 33.8872 213.755 -443.671 27.6197 -445.189 -22.5904 PRESSAVG: 765800 27.0823 9.83844 94.6143 9.83845 7.0836 -25.0293 94.6143 -25.0292 -13.721 GPRESSAVG: 765800 27.2624 10.2739 94.2548 9.68395 5.22096 -25.0056 92.0167 -25.7674 -12.5746 TIMING: 765800 CPU: 2386.67, 0.0031266/step Wall: 2386.67, 0.0031266/step, 3.67741 hours remaining, 234.933594 MB of memory in use. ENERGY: 765800 4022.4476 20451.4215 14490.4236 246.2451 -203821.5052 3320.9371 0.0000 0.0000 52104.9542 -109185.0762 299.4479 -161290.0303 -108816.2288 297.8158 98.3101 120.8957 763150.7786 6.8150 6.6362 PRESSURE: 766000 -361.795 103.005 126.731 103.005 -210.497 -199.073 126.73 -199.073 -316.08 GPRESSURE: 766000 -314.172 -38.7372 119.324 91.1558 -187.483 -220.164 202.341 -156.655 -315.47 PRESSAVG: 766000 -7.86107 22.6508 66.3018 22.6507 0.56245 -43.19 66.3018 -43.1901 10.5783 GPRESSAVG: 766000 -10.3408 21.188 65.0832 22.6345 2.16496 -43.3462 67.7726 -44.2965 10.9905 TIMING: 766000 CPU: 2387.3, 0.00311713/step Wall: 2387.3, 0.00311713/step, 3.6661 hours remaining, 234.933594 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: 766000 4023.4178 20629.7969 14445.0312 254.3263 -202990.3375 2518.2219 0.0000 0.0000 52026.7967 -109092.7467 298.9987 -161119.5434 -108734.6216 298.8764 -296.1238 -272.3752 764645.5584 1.0932 0.9382 PRESSURE: 766200 -356.77 -120.845 114.781 -120.844 -135.648 286.782 114.781 286.784 -32.365 GPRESSURE: 766200 -297.017 -90.7262 95.2893 -62.4164 -96.9727 245.996 152.961 216.755 -52.153 PRESSAVG: 766200 36.6907 19.6477 -14.1127 19.6478 -46.4188 7.74218 -14.1128 7.74217 2.75495 GPRESSAVG: 766200 37.3722 20.1518 -12.8241 18.0478 -46.0773 5.53881 -13.4565 11.1802 1.47699 TIMING: 766200 CPU: 2387.92, 0.00312795/step Wall: 2387.92, 0.00312795/step, 3.67864 hours remaining, 234.933594 MB of memory in use. ENERGY: 766200 4065.2380 20415.1766 14493.1163 247.5373 -203249.8647 2824.9258 0.0000 0.0000 52208.2215 -108995.6492 300.0414 -161203.8707 -108632.6757 298.4754 -174.9278 -148.7144 761476.7632 -2.3244 -2.4094 PRESSURE: 766400 282.597 73.4942 -108.906 73.4952 460.169 91.2319 -108.906 91.2323 270.683 GPRESSURE: 766400 308.532 81.8094 -172.037 103.777 464.416 109.096 63.6184 -48.8553 317.356 PRESSAVG: 766400 20.4395 -21.9186 -12.6921 -21.9185 -21.7779 15.7235 -12.6921 15.7235 -0.578233 GPRESSAVG: 766400 19.2212 -20.1011 -12.4848 -22.387 -21.9486 16.4271 -11.9318 13.6553 0.811552 TIMING: 766400 CPU: 2388.55, 0.00312185/step Wall: 2388.55, 0.00312184/step, 3.67129 hours remaining, 234.933594 MB of memory in use. ENERGY: 766400 4004.5472 20648.2424 14486.7748 242.0836 -203402.9040 3102.1674 0.0000 0.0000 51920.6976 -108998.3910 298.3890 -160919.0886 -108634.7522 299.0416 337.8166 363.4346 763026.9123 -0.6389 -0.6386 PRESSURE: 766600 -12.8267 176.172 -56.9837 176.172 -338.5 175.666 -56.9833 175.665 -40.559 GPRESSURE: 766600 -30.0344 150.593 20.8969 9.84594 -318.194 158.301 -12.81 243.344 30.6481 PRESSAVG: 766600 22.7064 10.2712 -6.14779 10.2711 -31.4172 -10.4238 -6.14774 -10.4238 20.8581 GPRESSAVG: 766600 22.6427 6.4398 -5.44061 11.5574 -29.884 -10.6148 -6.87688 -11.069 19.2322 TIMING: 766600 CPU: 2389.17, 0.00311028/step Wall: 2389.17, 0.00311028/step, 3.65752 hours remaining, 234.933594 MB of memory in use. ENERGY: 766600 3992.7004 20697.7155 14448.4541 261.2033 -203215.6374 2779.3057 0.0000 0.0000 51972.2407 -109064.0177 298.6852 -161036.2584 -108698.5029 298.6706 -130.6285 -105.8602 763308.7927 4.0491 3.9970 PRESSURE: 766800 -198.752 -121.818 137.501 -121.817 103.534 -124.901 137.5 -124.901 -200.063 GPRESSURE: 766800 -66.485 -98.3844 92.7774 -145.561 -59.5173 -269.576 91.1817 -108.603 -75.4271 PRESSAVG: 766800 0.508324 32.6941 2.39053 32.6941 -13.7471 -0.251387 2.39053 -0.251405 -25.0865 GPRESSAVG: 766800 1.71685 34.6537 3.18483 33.6053 -15.2263 0.121576 1.33797 0.822006 -24.5854 TIMING: 766800 CPU: 2389.79, 0.00310056/step Wall: 2389.79, 0.00310056/step, 3.64591 hours remaining, 234.933594 MB of memory in use. ENERGY: 766800 4053.1948 20390.9372 14474.5979 254.2244 -203117.4089 2743.6204 0.0000 0.0000 51959.8312 -109241.0029 298.6139 -161200.8341 -108881.6794 299.2424 -98.4268 -67.1431 763612.7340 -12.7751 -12.6983 PRESSURE: 767000 -29.2917 -63.4774 73.7349 -63.4777 -201.17 -277.927 73.7353 -277.927 -30.1533 GPRESSURE: 767000 23.7718 -23.4111 -5.94321 83.234 -203.961 -266.217 107.517 -152.373 8.00864 PRESSAVG: 767000 53.4889 -15.4723 -19.9258 -15.4723 -46.1289 -26.7618 -19.9257 -26.7619 0.18392 GPRESSAVG: 767000 52.5252 -15.0731 -21.1381 -15.2372 -46.8521 -27.5654 -19.6434 -27.3044 1.39692 TIMING: 767000 CPU: 2390.41, 0.0031118/step Wall: 2390.41, 0.0031118/step, 3.65896 hours remaining, 234.933594 MB of memory in use. ENERGY: 767000 4034.4430 20526.3431 14380.4700 226.1505 -203576.0147 3109.6299 0.0000 0.0000 52091.8482 -109207.1300 299.3726 -161298.9782 -108852.0342 298.7886 -86.8716 -57.3936 763756.7076 2.5146 2.3567 PRESSURE: 767200 -28.3738 8.18325 63.3664 8.18352 -521.405 -119.136 63.3665 -119.136 -6.2533 GPRESSURE: 767200 -75.9146 35.1199 52.164 -22.8667 -421.614 -136.818 92.4264 -132.654 28.7947 PRESSAVG: 767200 48.8818 27.4572 14.1063 27.4572 -39.1704 14.5379 14.1063 14.5379 -14.9944 GPRESSAVG: 767200 49.1902 26.4591 13.1379 26.3361 -37.4763 15.7953 15.2949 13.9618 -16.4867 TIMING: 767200 CPU: 2391.03, 0.00310768/step Wall: 2391.03, 0.00310768/step, 3.65394 hours remaining, 234.933594 MB of memory in use. ENERGY: 767200 4027.9094 20615.0892 14471.7298 239.7311 -202996.4010 2561.4617 0.0000 0.0000 51797.0826 -109283.3972 297.6785 -161080.4797 -108929.3627 298.8298 -185.3441 -156.2446 763593.7527 -1.7610 -1.5909 PRESSURE: 767400 -111.082 209.966 -284.758 209.966 -152.345 -26.9242 -284.758 -26.924 -179.383 GPRESSURE: 767400 -146.679 196.494 -264.625 113.196 -45.8344 33.6012 -142.203 21.5144 -155.962 PRESSAVG: 767400 36.4498 -3.4965 -45.2387 -3.49641 -9.71635 -38.3201 -45.2386 -38.32 -11.1179 GPRESSAVG: 767400 35.3205 -4.69071 -42.0303 -2.75442 -10.2446 -38.195 -48.0255 -39.2719 -9.76867 TIMING: 767400 CPU: 2391.65, 0.00310034/step Wall: 2391.65, 0.00310034/step, 3.64514 hours remaining, 234.933594 MB of memory in use. ENERGY: 767400 4039.3304 20505.2671 14513.6326 229.2102 -203520.0514 2805.5183 0.0000 0.0000 52024.5480 -109402.5448 298.9858 -161427.0928 -109035.8186 298.8107 -147.6032 -116.1586 762992.5287 5.2052 5.1024 PRESSURE: 767600 -78.8701 -105.349 212.879 -105.349 -131.246 165.25 212.879 165.249 -83.4476 GPRESSURE: 767600 -37.6287 -74.5233 149.739 3.03893 13.8093 177.414 162.721 75.1875 -164.165 PRESSAVG: 767600 0.503801 10.2974 -53.7944 10.2973 -12.43 12.3538 -53.7944 12.3539 5.01442 GPRESSAVG: 767600 2.18974 11.3335 -54.9993 8.8679 -11.273 12.4068 -53.9176 14.7428 2.30846 TIMING: 767600 CPU: 2392.27, 0.00311218/step Wall: 2392.27, 0.00311218/step, 3.65889 hours remaining, 234.933594 MB of memory in use. ENERGY: 767600 3985.6566 20508.4500 14408.6638 238.5090 -203241.8411 2825.8375 0.0000 0.0000 51783.0452 -109491.6789 297.5979 -161274.7241 -109132.6481 298.4074 -97.8546 -62.6615 763352.0823 -2.3039 -2.2583 PRESSURE: 767800 -108.16 -2.3973 92.2666 -2.39658 -43.9266 -309.349 92.2659 -309.349 171.185 GPRESSURE: 767800 -142.521 5.55504 30.3058 -5.26673 98.1226 -274.975 147.93 -175.91 137.307 PRESSAVG: 767800 -8.45503 5.37984 38.0929 5.37986 17.1101 -49.7632 38.0929 -49.7632 0.993226 GPRESSAVG: 767800 -9.48034 4.82705 36.0395 5.84577 16.9289 -49.1456 39.6863 -51.6801 2.36822 TIMING: 767800 CPU: 2392.9, 0.00311189/step Wall: 2392.9, 0.00311189/step, 3.65838 hours remaining, 234.933594 MB of memory in use. ENERGY: 767800 4078.9248 20575.2643 14458.9044 255.0311 -203397.7452 2951.2477 0.0000 0.0000 51994.4278 -109083.9451 298.8127 -161078.3729 -108731.8031 298.4940 6.3662 30.9695 763879.3145 3.2161 3.2722 PRESSURE: 768000 24.0221 -40.0541 186.21 -40.0526 406.516 24.232 186.21 24.2317 265.254 GPRESSURE: 768000 71.8404 -106.106 119.457 54.7234 414.233 40.3668 224.125 47.3536 283.238 PRESSAVG: 768000 31.8731 29.1491 22.2358 29.1491 -33.3708 -8.96121 22.2359 -8.96121 12.9003 GPRESSAVG: 768000 32.7644 27.3124 22.9305 29.5715 -34.3433 -8.96956 20.5959 -7.47518 12.4203 TIMING: 768000 CPU: 2393.52, 0.00312273/step Wall: 2393.52, 0.00312273/step, 3.67094 hours remaining, 234.933594 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: 768000 3982.1238 20574.9196 14547.6204 229.8222 -203780.9526 3302.7218 0.0000 0.0000 52085.9983 -109057.7465 299.3389 -161143.7448 -108703.0175 299.1288 231.9306 256.4372 763170.2710 3.8009 3.6138 PRESSURE: 768200 -191.94 -84.5246 -251.808 -84.5245 -213.892 -26.6134 -251.808 -26.6131 -245.62 GPRESSURE: 768200 -111.862 -11.2999 -237.451 -95.2787 -228.401 30.4381 -255.074 12.3704 -228.206 PRESSAVG: 768200 25.1575 15.899 0.666463 15.899 11.0158 11.3297 0.666398 11.3296 28.3154 GPRESSAVG: 768200 25.7925 17.3993 1.04257 17.099 10.6987 10.0661 0.937094 12.9532 27.8481 TIMING: 768200 CPU: 2394.15, 0.0031232/step Wall: 2394.15, 0.0031232/step, 3.67132 hours remaining, 234.933594 MB of memory in use. ENERGY: 768200 3964.6894 20648.8933 14447.4118 237.9821 -203576.0816 3117.8831 0.0000 0.0000 52059.4345 -109099.7874 299.1863 -161159.2218 -108740.6455 299.7195 -217.1506 -189.4897 763468.1571 21.4962 21.4465 LDB: ============= START OF LOAD BALANCING ============== 2406.62 LDB: ============== END OF LOAD BALANCING =============== 2406.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2406.63 LDB: ============= START OF LOAD BALANCING ============== 2406.94 LDB: Largest compute 6972 load 0.032027 is 16.4% of average load 0.194879 LDB: Average compute 0.004361 is 2.2% of average load 0.194879 LDB: TIME 2406.94 LOAD: AVG 0.194879 MAX 0.217021 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.641 MB LDB: TIME 2406.94 LOAD: AVG 0.194879 MAX 0.217021 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.645 MB LDB: TIME 2406.94 LOAD: AVG 0.194879 MAX 0.217021 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.645 MB LDB: ============== END OF LOAD BALANCING =============== 2406.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2406.95 PRESSURE: 768400 -9.09673 195.021 339.155 195.02 -206.639 87.6938 339.155 87.6938 249.265 GPRESSURE: 768400 -35.968 106.92 286.869 219.929 -47.9912 106.127 190.597 75.1523 202.682 PRESSAVG: 768400 -6.38133 11.7916 -5.62925 11.7916 10.594 -6.20096 -5.62929 -6.20092 -11.3319 GPRESSAVG: 768400 -6.72294 13.7712 -5.0045 9.01894 11.7775 -6.2713 -5.10733 -10.5711 -12.2169 TIMING: 768400 CPU: 2394.78, 0.00319114/step Wall: 2394.78, 0.00319114/step, 3.751 hours remaining, 233.738281 MB of memory in use. ENERGY: 768400 4024.0417 20493.1041 14489.1989 239.1147 -203653.6470 3026.8202 0.0000 0.0000 52026.8401 -109354.5273 298.9990 -161381.3673 -108997.1559 299.0693 11.1765 39.5742 763985.8249 -2.3731 -2.3875 PRESSURE: 768600 230.508 201.655 -51.3099 201.655 219.43 -69.7287 -51.3111 -69.7297 -174.813 GPRESSURE: 768600 266.525 137.622 -9.90641 190.84 154.635 -16.2173 74.4231 62.2511 -60.3057 PRESSAVG: 768600 0.577609 6.94997 40.0142 6.94994 -1.29614 21.4356 40.0143 21.4356 -5.19543 GPRESSAVG: 768600 -0.0508988 6.27097 39.0389 7.74777 -1.98206 21.7241 41.0698 24.6331 -3.81393 TIMING: 768600 CPU: 2395.41, 0.00313317/step Wall: 2395.41, 0.00313317/step, 3.68269 hours remaining, 233.738281 MB of memory in use. ENERGY: 768600 4030.0656 20460.6346 14445.6189 270.9500 -203702.5757 3297.7217 0.0000 0.0000 52028.1599 -109169.4250 299.0065 -161197.5849 -108812.6379 298.8359 91.7083 120.2849 763959.3657 -1.9713 -1.9490 PRESSURE: 768800 -140.958 -140.617 -222.92 -140.616 -93.7628 -64.2232 -222.919 -64.2229 -61.1561 GPRESSURE: 768800 -165.093 -115.141 -308.143 -240.191 -9.41134 -61.184 -11.7943 -58.9252 -16.1362 PRESSAVG: 768800 -47.0039 29.8144 -43.4938 29.8144 59.8279 9.85941 -43.4938 9.85946 8.10406 GPRESSAVG: 768800 -45.4182 28.3974 -43.9433 28.7318 59.0358 11.7353 -42.4972 6.89797 7.54812 TIMING: 768800 CPU: 2396.03, 0.00311734/step Wall: 2396.03, 0.00311734/step, 3.66391 hours remaining, 233.738281 MB of memory in use. ENERGY: 768800 4018.4752 20544.3959 14511.3631 243.0092 -203452.3519 2991.9711 0.0000 0.0000 52016.7135 -109126.4240 298.9408 -161143.1375 -108764.8352 299.2122 -98.6257 -63.5470 763768.8249 6.9760 7.0552 PRESSURE: 769000 90.7561 -37.6036 -128.613 -37.6045 13.1905 -13.411 -128.613 -13.4109 47.5147 GPRESSURE: 769000 202.953 -45.4972 -191.71 -100.301 -20.3554 20.332 -79.7336 -18.2907 40.5158 PRESSAVG: 769000 17.0948 -13.6792 -46.7769 -13.6791 -21.3452 -8.38032 -46.7769 -8.3804 -6.24493 GPRESSAVG: 769000 15.1971 -9.18465 -46.0282 -12.067 -20.4857 -9.33907 -46.8642 -7.82635 -4.97139 TIMING: 769000 CPU: 2396.66, 0.0031273/step Wall: 2396.66, 0.0031273/step, 3.67545 hours remaining, 233.738281 MB of memory in use. ENERGY: 769000 4033.7223 20533.8928 14480.8828 285.5001 -203676.8316 3147.7154 0.0000 0.0000 52107.9653 -109087.1529 299.4652 -161195.1181 -108724.8513 298.9576 50.4871 74.3711 762915.8580 -3.4985 -3.4200 PRESSURE: 769200 -427.026 59.4344 -53.9614 59.4347 -197.613 50.6528 -53.961 50.6532 -344.679 GPRESSURE: 769200 -353.955 98.6889 10.7172 107.036 -170.095 60.6582 -11.3946 12.7095 -368.516 PRESSAVG: 769200 -31.4042 19.5776 -20.4836 19.5776 28.5712 24.938 -20.4836 24.9379 3.30978 GPRESSAVG: 769200 -30.8098 16.1579 -21.246 20.75 28.703 24.7166 -21.8073 26.2261 2.45272 TIMING: 769200 CPU: 2397.28, 0.00312258/step Wall: 2397.28, 0.00312258/step, 3.66973 hours remaining, 233.738281 MB of memory in use. ENERGY: 769200 3977.9410 20624.2895 14508.3884 224.4640 -202877.9721 2741.0750 0.0000 0.0000 51998.1841 -108803.6303 298.8343 -160801.8144 -108437.0219 299.3565 -323.1059 -297.5220 765012.8345 0.1589 0.1153 PRESSURE: 769400 364.306 -140.795 -15.9575 -140.796 134.187 -264.396 -15.9571 -264.396 -205.518 GPRESSURE: 769400 399.398 -13.7851 -42.6258 -238.19 128.832 -229.134 -6.84455 -154.823 -144.765 PRESSAVG: 769400 63.5385 -2.95865 8.56338 -2.95869 -34.4003 -5.50598 8.56327 -5.50596 -27.9578 GPRESSAVG: 769400 64.7295 -1.32663 10.2899 -4.94442 -35.6993 -3.83767 6.64715 -4.24424 -27.8593 TIMING: 769400 CPU: 2397.91, 0.00312266/step Wall: 2397.91, 0.00312266/step, 3.66965 hours remaining, 233.738281 MB of memory in use. ENERGY: 769400 4038.0035 20833.8516 14496.4389 270.1996 -203650.1664 3108.3264 0.0000 0.0000 52191.4545 -108711.8919 299.9450 -160903.3465 -108354.5254 299.8429 97.6582 127.8217 763181.0698 0.3934 0.3903 PRESSURE: 769600 -120.983 -1.95029 41.8954 -1.9503 -269.153 198.25 41.8945 198.25 -43.5776 GPRESSURE: 769600 -129.294 87.1733 -41.9836 -40.0344 -112.426 128.699 139.591 93.3747 -81.4649 PRESSAVG: 769600 26.3939 30.1218 39.0305 30.1218 -32.2616 35.3772 39.0305 35.3772 19.7648 GPRESSAVG: 769600 25.0879 29.6909 35.9594 27.8463 -30.3637 33.8183 40.5515 33.3015 19.1618 TIMING: 769600 CPU: 2398.53, 0.00311671/step Wall: 2398.53, 0.00311671/step, 3.66248 hours remaining, 233.738281 MB of memory in use. ENERGY: 769600 4060.6614 20628.3004 14576.4593 235.9181 -202894.5680 2587.1048 0.0000 0.0000 51929.6316 -108876.4924 298.4403 -160806.1240 -108509.0740 299.5690 -144.5713 -107.7281 763689.1111 4.6324 4.6287 PRESSURE: 769800 -43.2823 -151.795 212.988 -151.795 -307.964 -366.747 212.988 -366.747 226.568 GPRESSURE: 769800 -86.2613 -151.24 187.794 -213.185 -233.486 -294.958 88.1113 -332.97 265.216 PRESSAVG: 769800 1.20671 4.84941 42.8295 4.84945 -49.2732 -46.6632 42.8295 -46.6631 -10.7132 GPRESSAVG: 769800 1.95533 3.01228 45.7075 8.68717 -50.409 -45.672 43.5145 -45.3442 -10.8101 TIMING: 769800 CPU: 2399.16, 0.00312381/step Wall: 2399.16, 0.00312381/step, 3.67064 hours remaining, 233.738281 MB of memory in use. ENERGY: 769800 4053.1389 20711.4903 14462.4334 260.3952 -203339.7909 2700.2541 0.0000 0.0000 52409.0283 -108743.0507 301.1954 -161152.0790 -108397.3917 299.7677 -41.5594 -18.1770 761304.3795 -19.5932 -19.7546 PRESSURE: 770000 216.488 -69.814 -328.855 -69.8142 170.413 24.189 -328.855 24.1897 168.214 GPRESSURE: 770000 255.888 26.4713 -302.67 -46.837 230.753 -5.48286 -288.649 115.825 129.539 PRESSAVG: 770000 -24.2071 -5.55347 -45.7184 -5.5534 -38.2207 27.1906 -45.7184 27.1907 19.7108 GPRESSAVG: 770000 -25.0901 -5.11929 -47.6364 -4.6414 -38.0337 26.4194 -47.0913 27.7852 20.4411 TIMING: 770000 CPU: 2399.78, 0.00312722/step Wall: 2399.78, 0.00312722/step, 3.67448 hours remaining, 233.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 770000 4007.3338 20400.1239 14536.3509 258.2239 -203273.5536 2936.7555 0.0000 0.0000 52280.4516 -108854.3140 300.4565 -161134.7656 -108490.2780 299.7040 185.0386 205.3933 761406.1064 -14.2390 -14.2276 PRESSURE: 770200 -326.814 13.3081 -153.557 13.3073 131.913 -144.078 -153.556 -144.079 93.6801 GPRESSURE: 770200 -300.623 112.655 -68.5625 33.8729 159.892 -105.265 24.7016 -95.5271 95.6819 PRESSAVG: 770200 -55.053 15.1607 -25.2323 15.1607 34.2631 -22.7599 -25.2323 -22.76 5.76376 GPRESSAVG: 770200 -54.4435 17.3207 -26.0188 11.0975 33.7289 -23.8829 -21.2659 -20.8232 5.61477 TIMING: 770200 CPU: 2400.41, 0.00312202/step Wall: 2400.41, 0.00312202/step, 3.6682 hours remaining, 233.738281 MB of memory in use. ENERGY: 770200 4014.8221 20565.2191 14474.3284 248.9529 -203071.5331 2685.3433 0.0000 0.0000 52169.8878 -108912.9795 299.8211 -161082.8673 -108551.0614 299.4625 -33.7403 -15.0164 762075.5456 -5.0087 -5.0333 PRESSURE: 770400 -139.022 -252.033 80.2418 -252.033 -144.903 -25.7834 80.2413 -25.7839 138.909 GPRESSURE: 770400 -237.63 -206.241 -2.05464 -287.964 -15.2558 -135.534 28.9205 20.9228 199.584 PRESSAVG: 770400 -29.1271 -22.7708 25.2505 -22.7708 13.7781 -48.508 25.2504 -48.508 11.3434 GPRESSAVG: 770400 -30.4909 -23.0111 26.3992 -19.9185 13.4685 -48.4178 23.0637 -51.2192 12.7745 TIMING: 770400 CPU: 2401.03, 0.00312249/step Wall: 2401.03, 0.00312249/step, 3.66858 hours remaining, 233.738281 MB of memory in use. ENERGY: 770400 3988.9953 20536.8039 14500.6065 242.1421 -203381.2047 2934.7804 0.0000 0.0000 52198.8110 -108979.0656 299.9873 -161177.8766 -108617.0121 299.3109 -48.3387 -17.7676 762500.9427 -1.3352 -1.4160 PRESSURE: 770600 126.534 107.168 -30.8931 107.168 261.843 -256.938 -30.8939 -256.938 135.254 GPRESSURE: 770600 202.469 74.5906 -44.1756 95.448 287.146 -343.25 76.3062 -206.979 114.924 PRESSAVG: 770600 -12.3894 9.78799 -12.7459 9.78797 1.04611 -36.88 -12.746 -36.8799 0.756256 GPRESSAVG: 770600 -11.0114 8.03009 -10.9035 8.70633 1.21341 -38.6213 -14.4247 -35.4473 -1.28752 TIMING: 770600 CPU: 2401.65, 0.00311465/step Wall: 2401.65, 0.00311464/step, 3.65919 hours remaining, 233.738281 MB of memory in use. ENERGY: 770600 3941.4219 20591.9142 14561.0706 248.0058 -203404.6320 2941.7807 0.0000 0.0000 52344.8046 -108775.6342 300.8263 -161120.4388 -108397.4674 299.6460 174.5438 201.5128 762397.1779 -3.5290 -3.6952 PRESSURE: 770800 -63.2742 64.354 78.4496 64.3546 -245.652 79.3516 78.4497 79.3511 -155.166 GPRESSURE: 770800 -33.3146 115.796 76.8077 47.8777 -175.659 -30.7659 -86.8716 84.0794 -172.876 PRESSAVG: 770800 8.64773 -7.43882 21.2436 -7.43874 0.279923 29.0666 21.2436 29.0665 14.8299 GPRESSAVG: 770800 7.96627 -6.88883 21.2359 -5.08585 0.399747 29.7433 19.7832 28.001 15.2261 TIMING: 770800 CPU: 2402.28, 0.00310854/step Wall: 2402.28, 0.00310854/step, 3.65184 hours remaining, 233.738281 MB of memory in use. ENERGY: 770800 4061.5457 20674.4236 14558.6909 257.8850 -203373.7541 2856.9697 0.0000 0.0000 52188.5323 -108775.7070 299.9282 -160964.2393 -108409.8732 299.9186 -154.6973 -127.2832 762791.6136 7.9192 7.8640 PRESSURE: 771000 179.134 -237.462 10.8938 -237.462 -230.003 -45.4066 10.894 -45.4071 -138.768 GPRESSURE: 771000 181.967 -215.736 2.25284 -225.911 -168.411 -78.2318 -88.792 141.079 -123.523 PRESSAVG: 771000 12.8353 -39.9174 -25.8202 -39.9174 16.1851 -60.7323 -25.8202 -60.7323 -1.38759 GPRESSAVG: 771000 10.9354 -39.8977 -27.6119 -41.0842 17.9903 -61.3089 -22.9798 -60.0402 -0.873551 TIMING: 771000 CPU: 2402.9, 0.00312382/step Wall: 2402.9, 0.00312382/step, 3.66962 hours remaining, 233.738281 MB of memory in use. ENERGY: 771000 3985.4049 20733.6293 14563.3396 249.4091 -203139.4766 2809.0376 0.0000 0.0000 52120.3072 -108678.3490 299.5361 -160798.6562 -108313.5017 300.1768 -63.2121 -36.6558 761628.9341 9.2109 9.3507 PRESSURE: 771200 -101.183 239.318 -29.1781 239.319 57.5659 -492.231 -29.1784 -492.231 447.896 GPRESSURE: 771200 61.7373 122.46 37.3886 226.167 33.3414 -431.97 -50.2605 -594.608 399.74 PRESSAVG: 771200 49.8241 -26.6347 -60.4908 -26.6347 9.07516 1.61351 -60.4909 1.61356 -27.1048 GPRESSAVG: 771200 52.4838 -25.2633 -58.0023 -27.6671 7.20397 1.71899 -62.4722 1.31655 -28.2028 TIMING: 771200 CPU: 2403.53, 0.00313418/step Wall: 2403.53, 0.00313418/step, 3.68162 hours remaining, 233.738281 MB of memory in use. ENERGY: 771200 3991.6949 20629.6795 14611.3700 262.6656 -203184.8549 2883.3573 0.0000 0.0000 51969.6636 -108836.4238 298.6704 -160806.0875 -108476.4571 299.7753 134.7598 164.9397 764222.3886 10.5982 10.4950 PRESSURE: 771400 -226.371 -253.156 -155.675 -253.156 315.532 -38.5766 -155.674 -38.5768 172.857 GPRESSURE: 771400 -142.519 -434.061 -159.47 -152.372 234.688 -31.3306 -111.093 -9.99709 261.797 PRESSAVG: 771400 -27.2794 -33.0572 7.15774 -33.0573 10.945 32.5507 7.1577 32.5507 5.54649 GPRESSAVG: 771400 -28.2423 -34.3276 5.52331 -32.132 10.738 35.5467 11.0291 30.2848 6.93468 TIMING: 771400 CPU: 2404.15, 0.00313148/step Wall: 2404.15, 0.00313148/step, 3.67827 hours remaining, 233.738281 MB of memory in use. ENERGY: 771400 4062.0537 20551.9795 14557.9482 248.0790 -203434.9271 2989.2862 0.0000 0.0000 52049.7978 -108975.7827 299.1309 -161025.5805 -108623.6820 299.4795 87.3392 117.9883 763937.7575 -3.5960 -3.5232 PRESSURE: 771600 -31.3553 -24.2539 316.087 -24.254 144.802 52.4716 316.087 52.472 38.3756 GPRESSURE: 771600 27.3816 65.3694 292.704 -108.145 193.708 57.6392 271.927 155.933 36.4087 PRESSAVG: 771600 6.50041 17.5782 28.1883 17.5782 -19.4607 -12.2874 28.1884 -12.2874 -9.97894 GPRESSAVG: 771600 6.44335 17.3919 28.1911 16.5804 -18.373 -12.5455 26.0546 -10.5325 -10.5358 TIMING: 771600 CPU: 2404.78, 0.00313483/step Wall: 2404.78, 0.00313483/step, 3.68203 hours remaining, 233.738281 MB of memory in use. ENERGY: 771600 3953.6489 20629.4419 14493.8088 233.3074 -203762.9536 3213.7195 0.0000 0.0000 52134.9086 -109104.1186 299.6200 -161239.0272 -108738.6065 299.3707 50.6074 85.8328 762872.6093 -7.6464 -7.4885 PRESSURE: 771800 -198.396 37.5557 -362.333 37.556 175.09 -81.312 -362.333 -81.3117 349.874 GPRESSURE: 771800 -133.947 -4.132 -390.664 52.7475 161.67 39.4019 -242.235 -96.2975 374.536 PRESSAVG: 771800 -35.1004 -32.405 -8.42417 -32.405 5.48567 -7.94446 -8.42412 -7.94443 -7.94095 GPRESSAVG: 771800 -34.8537 -32.9544 -10.0556 -31.0717 5.27471 -8.07963 -5.98611 -6.96894 -7.95654 TIMING: 771800 CPU: 2405.41, 0.00315929/step Wall: 2405.41, 0.00315929/step, 3.71058 hours remaining, 233.738281 MB of memory in use. ENERGY: 771800 4017.3491 20653.7043 14499.4634 258.6065 -203443.6068 2799.2978 0.0000 0.0000 52051.8131 -109163.3726 299.1425 -161215.1856 -108799.8035 299.7570 108.8560 134.0863 764555.9504 -12.5186 -12.5119 PRESSURE: 772000 -271.918 -148.032 35.0502 -148.032 -58.2556 -197.539 35.0504 -197.539 28.1357 GPRESSURE: 772000 -195.713 -167.321 -82.8319 -55.7735 -120.783 -100.326 109.981 -240.139 91.6562 PRESSAVG: 772000 59.2289 7.4163 16.166 7.41639 -43.8019 -51.2527 16.1661 -51.2526 10.3263 GPRESSAVG: 772000 59.0443 9.04159 16.6263 7.83247 -44.0199 -51.5003 14.3498 -52.6389 10.3469 TIMING: 772000 CPU: 2406.04, 0.00313728/step Wall: 2406.04, 0.00313728/step, 3.68456 hours remaining, 233.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 772000 3985.9401 20430.6892 14554.7070 263.3841 -203209.0449 2685.5057 0.0000 0.0000 52108.2196 -109180.5992 299.4667 -161288.8188 -108822.9132 299.2603 -100.6793 -74.9467 764087.6076 8.5844 8.4571 PRESSURE: 772200 75.4407 -3.11204 -32.4867 -3.11308 -48.3052 -65.8846 -32.4859 -65.884 89.1335 GPRESSURE: 772200 162.078 77.7763 -62.8549 136.49 -65.3102 -68.1373 -43.8203 -76.4677 114.866 PRESSAVG: 772200 55.4566 -18.9876 26.0839 -18.9876 -65.486 -24.0705 26.0838 -24.0705 10.3011 GPRESSAVG: 772200 55.8952 -19.0051 26.471 -18.1491 -66.4985 -24.2549 25.5676 -24.7509 10.8311 TIMING: 772200 CPU: 2406.67, 0.00313731/step Wall: 2406.67, 0.00313731/step, 3.68443 hours remaining, 233.738281 MB of memory in use. ENERGY: 772200 3992.2872 20389.2562 14530.7534 257.7970 -203550.9036 3149.2355 0.0000 0.0000 52089.8307 -109141.7436 299.3610 -161231.5743 -108778.2299 298.8738 38.7564 70.5448 765596.1069 0.0906 0.0760 LDB: ============= START OF LOAD BALANCING ============== 2419.14 LDB: ============== END OF LOAD BALANCING =============== 2419.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2419.15 LDB: ============= START OF LOAD BALANCING ============== 2419.46 LDB: Largest compute 7059 load 0.031617 is 16.2% of average load 0.194949 LDB: Average compute 0.004368 is 2.2% of average load 0.194949 LDB: TIME 2419.46 LOAD: AVG 0.194949 MAX 0.216705 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.531 MB LDB: TIME 2419.46 LOAD: AVG 0.194949 MAX 0.216705 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.734 MB LDB: TIME 2419.46 LOAD: AVG 0.194949 MAX 0.216705 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.734 MB LDB: ============== END OF LOAD BALANCING =============== 2419.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2419.47 PRESSURE: 772400 -459.482 164.619 86.5603 164.618 -230.103 63.7941 86.56 63.7943 127.147 GPRESSURE: 772400 -368.838 236.333 102.54 157.725 -151.558 8.92283 126.825 176.153 55.7691 PRESSAVG: 772400 50.2486 1.83922 2.90036 1.83921 -22.6452 40.3167 2.90036 40.3167 -19.1938 GPRESSAVG: 772400 50.3845 3.684 2.59834 -0.902413 -21.9244 39.6072 3.04118 42.119 -19.6234 TIMING: 772400 CPU: 2407.3, 0.00317811/step Wall: 2407.3, 0.00317811/step, 3.73216 hours remaining, 233.738281 MB of memory in use. ENERGY: 772400 4008.3350 20601.6896 14490.5210 244.1937 -203364.8815 2821.4804 0.0000 0.0000 52221.4724 -108977.1894 300.1175 -161198.6618 -108624.9747 299.3932 -187.4791 -154.8758 764517.0543 2.8032 2.9455 PRESSURE: 772600 -312.76 -190.921 -101.275 -190.921 140.529 239.274 -101.276 239.275 23.4461 GPRESSURE: 772600 -231.969 5.37393 -140.208 -19.3496 183.449 214.934 -111.531 173.676 -24.7628 PRESSAVG: 772600 2.18967 38.7552 3.06945 38.7551 -20.6669 -49.7716 3.06946 -49.7715 1.50372 GPRESSAVG: 772600 3.46617 37.7236 3.17884 39.2318 -22.4311 -50.5875 4.73744 -50.6124 2.34677 TIMING: 772600 CPU: 2407.93, 0.00311518/step Wall: 2407.93, 0.00311518/step, 3.65808 hours remaining, 233.738281 MB of memory in use. ENERGY: 772600 3988.0009 20604.3779 14553.5706 256.4522 -203210.9312 2812.3700 0.0000 0.0000 51947.1292 -109049.0303 298.5409 -160996.1595 -108684.2350 299.0164 -49.5949 -24.4278 763976.4797 -5.6578 -5.5394 PRESSURE: 772800 -249.138 -12.1289 257.02 -12.1293 248.108 -12.637 257.02 -12.6362 -159.578 GPRESSURE: 772800 -225.897 -95.8536 267.266 -5.21588 272.272 -40.8151 207.938 -43.8222 -141.011 PRESSAVG: 772800 14.4995 -2.50734 65.0045 -2.50727 24.3777 -11.4379 65.0045 -11.4379 10.4058 GPRESSAVG: 772800 12.8052 -4.7536 64.541 -1.68031 26.2753 -11.0788 63.5189 -12.117 10.5621 TIMING: 772800 CPU: 2408.55, 0.00311406/step Wall: 2408.55, 0.00311406/step, 3.6566 hours remaining, 233.738281 MB of memory in use. ENERGY: 772800 4013.4201 20681.3168 14498.5959 260.2053 -203523.1272 3008.3656 0.0000 0.0000 52110.0774 -108951.1462 299.4773 -161061.2236 -108590.8945 299.3088 -53.5360 -31.5454 763899.2196 16.4277 16.5475 PRESSURE: 773000 -180.129 -132.684 -146.275 -132.683 -241.286 -76.7318 -146.275 -76.7319 -69.2814 GPRESSURE: 773000 -187.237 -109.833 -137.792 -170.849 -180.72 -130.097 69.0978 -63.4368 -26.9081 PRESSAVG: 773000 -16.6946 -4.71734 3.80739 -4.71728 -2.82156 -26.9706 3.80739 -26.9705 -4.52125 GPRESSAVG: 773000 -15.5541 -3.16333 6.05034 -5.1942 -3.03575 -26.3745 2.93599 -26.3573 -5.4295 TIMING: 773000 CPU: 2409.17, 0.00312369/step Wall: 2409.17, 0.00312369/step, 3.66773 hours remaining, 233.738281 MB of memory in use. ENERGY: 773000 4002.8294 20559.3391 14455.6386 268.5501 -203372.3863 2814.9309 0.0000 0.0000 52248.1379 -109022.9602 300.2708 -161271.0981 -108654.9581 299.3360 -163.5653 -131.6216 765414.7406 -8.0125 -8.0064 PRESSURE: 773200 41.6136 111.245 246.355 111.245 241.173 40.3015 246.355 40.302 -6.86894 GPRESSURE: 773200 93.154 234.604 281.864 89.2613 235.943 120.204 212.812 58.9722 38.6665 PRESSAVG: 773200 37.4539 -29.7505 15.0574 -29.7505 -2.23484 -24.6442 15.0575 -24.6442 11.4052 GPRESSAVG: 773200 37.4899 -29.0206 13.5005 -28.2867 -2.24739 -23.4587 14.174 -25.1846 11.1768 TIMING: 773200 CPU: 2409.8, 0.00313025/step Wall: 2409.8, 0.00313025/step, 3.67526 hours remaining, 233.738281 MB of memory in use. ENERGY: 773200 3983.5230 20571.4938 14493.1502 240.1478 -203383.9619 2890.1943 0.0000 0.0000 52064.8579 -109140.5950 299.2175 -161205.4528 -108771.4390 298.8973 91.9726 122.5880 765055.5573 15.5414 15.4731 PRESSURE: 773400 -459.187 34.6453 187.684 34.6453 -193.512 10.7213 187.684 10.7223 70.8192 GPRESSURE: 773400 -342.12 -54.703 109.716 66.9443 -129.19 33.2597 42.0334 10.866 -10.2405 PRESSAVG: 773400 14.9288 17.1486 39.5152 17.1486 -0.661419 50.5589 39.5152 50.5588 -17.1937 GPRESSAVG: 773400 14.1969 17.4727 39.3779 16.5165 -0.324143 48.5737 39.7394 50.0054 -17.0065 TIMING: 773400 CPU: 2410.43, 0.00312879/step Wall: 2410.43, 0.00312879/step, 3.67337 hours remaining, 233.738281 MB of memory in use. ENERGY: 773400 3967.5266 20675.7407 14514.9168 248.4256 -203272.1937 2606.6950 0.0000 0.0000 52021.9279 -109236.9611 298.9707 -161258.8890 -108871.5876 299.3207 -193.9598 -160.5167 764948.5290 -0.9754 -1.0446 PRESSURE: 773600 -261.745 151.66 -255.603 151.661 -278.134 291.131 -255.602 291.131 449.675 GPRESSURE: 773600 -130.07 139.99 -236.745 81.0755 -305.608 348.751 -352.201 315.095 437.145 PRESSAVG: 773600 21.5193 27.74 29.1383 27.74 9.78428 3.06616 29.1383 3.06623 -3.19117 GPRESSAVG: 773600 21.6522 27.1292 29.2285 25.3827 9.05156 4.08518 33.2615 3.64267 -2.72759 TIMING: 773600 CPU: 2411.05, 0.00313397/step Wall: 2411.05, 0.00313397/step, 3.67928 hours remaining, 233.738281 MB of memory in use. ENERGY: 773600 3917.7018 20509.8722 14508.9006 277.1715 -203128.3887 2601.3550 0.0000 0.0000 52053.0178 -109260.3698 299.1494 -161313.3876 -108893.2374 298.6498 -30.0680 0.4891 763972.5578 9.3708 9.3254 PRESSURE: 773800 -190.337 40.1022 54.7778 40.1026 -456.525 -50.3702 54.7776 -50.3707 -298.972 GPRESSURE: 773800 -141.179 78.6823 16.8151 14.2792 -435.622 -98.2924 1.30426 -83.1861 -276.668 PRESSAVG: 773800 30.5803 -36.1129 -11.7841 -36.1128 -61.2338 -23.3295 -11.7841 -23.3295 13.0051 GPRESSAVG: 773800 31.7856 -37.399 -11.8541 -33.9725 -61.6726 -23.7195 -14.4955 -23.8709 12.6757 TIMING: 773800 CPU: 2411.68, 0.00312519/step Wall: 2411.68, 0.00312519/step, 3.6688 hours remaining, 233.738281 MB of memory in use. ENERGY: 773800 4069.5406 20526.9735 14557.9868 267.6180 -203163.8454 2806.0916 0.0000 0.0000 51943.2831 -108992.3517 298.5188 -160935.6348 -108628.0743 298.9443 -315.2781 -284.4898 763872.5290 -5.8828 -5.7371 PRESSURE: 774000 -338.283 -118.842 244.345 -118.842 383.717 141.616 244.345 141.616 178.392 GPRESSURE: 774000 -183.498 -117.656 188.272 -36.8274 311.296 87.9799 336.856 124.761 189.359 PRESSAVG: 774000 58.3055 14.9298 -36.8069 14.9299 -33.8832 -12.3137 -36.8069 -12.3137 -17.5161 GPRESSAVG: 774000 57.1686 15.7135 -36.7371 13.5387 -33.521 -11.6999 -35.0887 -12.8353 -17.0782 TIMING: 774000 CPU: 2412.3, 0.00312648/step Wall: 2412.3, 0.00312648/step, 3.67014 hours remaining, 233.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 774000 4034.7616 20324.2158 14495.3722 229.6786 -203289.7532 2929.6839 0.0000 0.0000 52105.2239 -109170.8171 299.4494 -161276.0410 -108811.8008 298.7652 74.6089 105.7191 762927.2272 2.3020 2.1898 PRESSURE: 774200 551.523 247.63 -17.2288 247.63 -72.2371 123.526 -17.2294 123.526 313.037 GPRESSURE: 774200 462.362 57.3962 -95.4875 324.654 9.20167 181.671 -53.666 27.4936 391.723 PRESSAVG: 774200 34.0792 0.826622 25.2203 0.826624 -22.7011 24.6328 25.2203 24.6327 17.4589 GPRESSAVG: 774200 33.0871 -0.510932 25.0926 2.3631 -22.5458 23.7308 22.047 27.5236 18.0205 TIMING: 774200 CPU: 2412.93, 0.00313194/step Wall: 2412.93, 0.00313194/step, 3.67638 hours remaining, 233.738281 MB of memory in use. ENERGY: 774200 4005.9633 20467.8455 14455.8645 244.0752 -203313.6850 2901.2880 0.0000 0.0000 52023.0212 -109215.6272 298.9770 -161238.6484 -108851.5562 298.6253 264.1079 287.7623 764295.1950 9.6123 9.5206 PRESSURE: 774400 36.1027 -56.3551 62.4403 -56.3559 279.412 -178.645 62.441 -178.644 346.065 GPRESSURE: 774400 159.532 -90.1708 55.3442 -40.9592 226.69 -70.083 66.5349 -207.774 359.316 PRESSAVG: 774400 -0.194027 55.8874 -14.3579 55.8874 21.1453 2.62417 -14.358 2.62416 -4.66801 GPRESSAVG: 774400 -0.0360394 56.3244 -15.0562 55.4065 20.8399 4.65697 -12.326 1.62568 -5.04461 TIMING: 774400 CPU: 2413.55, 0.00312172/step Wall: 2413.55, 0.00312172/step, 3.66421 hours remaining, 233.738281 MB of memory in use. ENERGY: 774400 4017.0404 20451.6227 14476.5655 250.9624 -203664.5919 3340.9307 0.0000 0.0000 51887.6051 -109239.8650 298.1988 -161127.4701 -108880.4061 298.8064 220.5267 248.5130 763429.8964 5.4277 5.2531 PRESSURE: 774600 48.224 -147.191 -142.662 -147.191 87.125 339.875 -142.662 339.875 -6.33277 GPRESSURE: 774600 37.8346 20.7201 23.1036 -131.233 92.8738 303.701 -178.849 365.832 85.7553 PRESSAVG: 774600 -7.83646 -18.948 4.1367 -18.948 68.1438 -49.5421 4.13667 -49.542 7.90762 GPRESSAVG: 774600 -7.68432 -19.0341 5.92503 -18.5259 67.2022 -51.56 3.99385 -50.9718 8.44695 TIMING: 774600 CPU: 2414.18, 0.00313595/step Wall: 2414.18, 0.00313595/step, 3.68073 hours remaining, 233.738281 MB of memory in use. ENERGY: 774600 4025.0733 20473.9789 14588.9029 258.2208 -203437.8242 2834.8481 0.0000 0.0000 51820.5906 -109436.2095 297.8136 -161256.8002 -109080.5330 298.8860 43.0054 72.1546 762660.5944 22.7383 22.6549 PRESSURE: 774800 154.258 1.79259 -180.286 1.79212 39.6316 -113.666 -180.285 -113.667 -419.457 GPRESSURE: 774800 128.15 -128.531 -101.241 42.8189 106.216 -57.4399 -288.414 -165.749 -367.51 PRESSAVG: 774800 -3.09777 51.9556 -30.477 51.9556 -27.4152 -65.4921 -30.477 -65.4922 -4.38009 GPRESSAVG: 774800 -3.23045 53.5691 -33.7945 53.6744 -28.132 -65.9145 -29.167 -63.3833 -3.76447 TIMING: 774800 CPU: 2414.81, 0.00313242/step Wall: 2414.81, 0.00313242/step, 3.67641 hours remaining, 233.738281 MB of memory in use. ENERGY: 774800 4076.9263 20449.7739 14533.0429 235.5554 -203506.2212 2946.1433 0.0000 0.0000 51946.2844 -109318.4950 298.5360 -161264.7794 -108952.7918 298.5350 -75.1891 -44.3811 762223.3045 -11.6310 -11.7090 PRESSURE: 775000 28.1436 -183.739 -62.6667 -183.738 155.197 151.018 -62.6668 151.018 353.084 GPRESSURE: 775000 124.272 -203.27 8.38551 -47.6911 146.602 95.2731 10.6457 134.511 349.844 PRESSAVG: 775000 7.60615 -30.116 7.72581 -30.116 36.7163 10.1533 7.72583 10.1533 -9.33601 GPRESSAVG: 775000 8.6296 -28.8678 8.87212 -33.3298 37.5538 10.8533 10.4978 7.9472 -10.8182 TIMING: 775000 CPU: 2415.43, 0.00311584/step Wall: 2415.43, 0.00311584/step, 3.65678 hours remaining, 233.738281 MB of memory in use. ENERGY: 775000 3923.4213 20620.4088 14526.1404 252.6294 -203341.1129 2974.9428 0.0000 0.0000 51853.4209 -109190.1492 298.0023 -161043.5701 -108840.6894 298.5762 178.8081 206.9060 763684.3114 11.6622 11.7884 PRESSURE: 775200 77.4105 -121.406 -187.967 -121.406 113.697 59.1069 -187.967 59.1063 -40.2853 GPRESSURE: 775200 77.883 -110.174 -166.299 -127.075 159.743 58.2141 -194.254 11.4709 7.28511 PRESSAVG: 775200 68.9885 5.77219 31.3243 5.77223 -61.5638 24.4182 31.3243 24.4182 -9.71 GPRESSAVG: 775200 67.9559 2.4224 33.7249 7.17384 -61.1282 25.0781 26.4171 25.1522 -9.45709 TIMING: 775200 CPU: 2416.06, 0.00312504/step Wall: 2416.06, 0.00312504/step, 3.66741 hours remaining, 233.738281 MB of memory in use. ENERGY: 775200 3988.9977 20487.7415 14508.8060 227.5377 -203073.4570 2655.3216 0.0000 0.0000 51872.1169 -109332.9356 298.1098 -161205.0525 -108972.0011 298.8896 50.2741 81.6370 762673.3251 -0.7618 -0.8765 PRESSURE: 775400 3.3869 -48.699 228.007 -48.6996 -221.554 -123.649 228.008 -123.649 10.8646 GPRESSURE: 775400 29.8526 72.0723 159.014 -106.293 -233.088 -73.8844 161.867 -30.2734 86.0389 PRESSAVG: 775400 -4.6902 9.23371 -52.0185 9.2337 25.2966 6.64926 -52.0185 6.64935 0.109657 GPRESSAVG: 775400 -4.84344 10.3232 -53.5119 8.8167 25.0552 6.6563 -49.5788 7.82501 1.08748 TIMING: 775400 CPU: 2416.68, 0.00312098/step Wall: 2416.68, 0.00312098/step, 3.66248 hours remaining, 233.738281 MB of memory in use. ENERGY: 775400 4020.2164 20747.5125 14460.3840 250.9424 -203475.5854 3031.3662 0.0000 0.0000 51837.7695 -109127.3943 297.9124 -160965.1638 -108768.0251 298.8034 -69.1010 -39.0657 765049.0054 6.9053 7.0997 PRESSURE: 775600 -92.4091 87.9714 -54.9621 87.9726 5.14714 123.247 -54.9626 123.247 -22.0351 GPRESSURE: 775600 22.6731 55.6049 -10.6402 48.0274 -45.0921 127.514 -57.7854 108.238 -0.205535 PRESSAVG: 775600 25.0988 35.3481 -0.530827 35.3481 13.0336 -22.3038 -0.530809 -22.3039 4.62353 GPRESSAVG: 775600 26.7827 36.1873 -2.17039 37.2634 13.0192 -20.6692 0.495207 -24.6853 2.80471 TIMING: 775600 CPU: 2417.3, 0.00312286/step Wall: 2417.3, 0.00312286/step, 3.66451 hours remaining, 233.738281 MB of memory in use. ENERGY: 775600 4011.8837 20591.4834 14454.9259 270.5798 -203500.4828 3081.6686 0.0000 0.0000 52110.6816 -108979.2597 299.4808 -161089.9414 -108619.6238 298.8334 -36.4324 -7.5415 762615.8002 14.2519 14.2022 PRESSURE: 775800 -186.214 -80.6768 132.862 -80.6762 -47.3531 179.938 132.862 179.938 154.079 GPRESSURE: 775800 -118.936 -117.978 -9.91283 34.2101 0.219435 163.01 254.589 44.0963 120.875 PRESSAVG: 775800 54.4026 0.506655 18.332 0.506629 -47.6965 -17.6772 18.332 -17.6774 -5.8797 GPRESSAVG: 775800 53.0529 -0.778155 17.2908 -1.7125 -46.4847 -18.1624 18.3625 -16.5748 -6.0956 TIMING: 775800 CPU: 2417.93, 0.00311073/step Wall: 2417.93, 0.00311073/step, 3.65009 hours remaining, 233.738281 MB of memory in use. ENERGY: 775800 4021.3578 20472.1407 14496.0006 261.7168 -203245.6930 2871.3760 0.0000 0.0000 52227.8302 -108895.2709 300.1541 -161123.1011 -108526.7059 299.0744 -26.4959 0.7194 764204.9709 0.2755 0.1575 PRESSURE: 776000 -132.207 209.764 -6.55821 209.764 148.709 196.274 -6.55835 196.275 255.647 GPRESSURE: 776000 -65.5139 169.118 7.49509 326.336 190.203 196.656 -10.6692 158.149 246.679 PRESSAVG: 776000 10.0507 24.6841 25.5363 24.6841 -41.4413 11.5555 25.5363 11.5554 1.5835 GPRESSAVG: 776000 9.63295 24.1018 25.5932 25.1586 -42.1783 9.6559 26.5509 11.885 2.97328 TIMING: 776000 CPU: 2418.55, 0.00310923/step Wall: 2418.55, 0.00310923/step, 3.64816 hours remaining, 233.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 776000 4001.2031 20700.4189 14547.0969 242.4084 -203240.1576 2802.0323 0.0000 0.0000 52111.7393 -108835.2586 299.4869 -160946.9979 -108482.9545 299.1666 90.7162 123.7895 763924.0646 -9.9357 -9.8574 PRESSURE: 776200 31.1432 -19.8608 -188.806 -19.8604 -22.9146 -188.465 -188.807 -188.465 195.017 GPRESSURE: 776200 98.8977 68.1826 -200.52 57.173 -20.5181 -93.6799 -95.8129 -187.907 206.718 PRESSAVG: 776200 26.97 4.39068 -12.872 4.39067 -5.64432 -39.5874 -12.872 -39.5875 12.2615 GPRESSAVG: 776200 27.3334 5.35629 -11.3536 5.19526 -4.80438 -37.8686 -16.2321 -41.041 11.438 TIMING: 776200 CPU: 2419.17, 0.00311821/step Wall: 2419.17, 0.00311821/step, 3.65853 hours remaining, 233.738281 MB of memory in use. ENERGY: 776200 3913.2918 20704.8776 14450.5398 256.6464 -203169.3329 2770.2030 0.0000 0.0000 52282.6836 -108791.0908 300.4693 -161073.7744 -108424.7034 299.2903 67.7485 95.0324 763243.9613 11.1957 11.3223 LDB: ============= START OF LOAD BALANCING ============== 2431.65 LDB: ============== END OF LOAD BALANCING =============== 2431.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2431.65 LDB: ============= START OF LOAD BALANCING ============== 2431.96 LDB: Largest compute 6972 load 0.031990 is 16.4% of average load 0.194942 LDB: Average compute 0.004390 is 2.3% of average load 0.194942 LDB: TIME 2431.97 LOAD: AVG 0.194942 MAX 0.216411 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.738 MB LDB: TIME 2431.97 LOAD: AVG 0.194942 MAX 0.216411 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.738 MB LDB: TIME 2431.97 LOAD: AVG 0.194942 MAX 0.216411 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.738 MB LDB: ============== END OF LOAD BALANCING =============== 2431.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2431.97 PRESSURE: 776400 -73.0986 249.5 -17.3777 249.5 95.5419 -156.374 -17.3775 -156.374 42.4137 GPRESSURE: 776400 -60.0632 201.28 17.2844 192.636 90.7479 -184.496 -25.9997 -114.482 94.5362 PRESSAVG: 776400 5.94096 39.2956 -44.3591 39.2955 44.2001 27.8573 -44.3591 27.8572 10.9617 GPRESSAVG: 776400 8.02267 41.4413 -42.7235 37.333 42.3042 24.8238 -42.869 31.4891 11.0324 TIMING: 776400 CPU: 2419.81, 0.0031854/step Wall: 2419.81, 0.0031854/step, 3.73718 hours remaining, 234.046875 MB of memory in use. ENERGY: 776400 3987.1085 20685.1776 14528.8920 236.0959 -203510.6251 3135.9987 0.0000 0.0000 52366.2116 -108571.1409 300.9493 -160937.3525 -108198.7053 300.0711 21.6190 41.7403 764127.9082 20.3676 20.4531 PRESSURE: 776600 199.424 173.823 -1.05359 173.824 -218.854 -55.3637 -1.05327 -55.3641 -183.556 GPRESSURE: 776600 100.361 192.426 -14.2366 68.9962 -114.65 -33.2021 -126.804 -33.337 -115.4 PRESSAVG: 776600 22.4463 77.3079 -42.9087 77.3079 18.9879 -51.7716 -42.9087 -51.7716 -3.09967 GPRESSAVG: 776600 19.6399 74.6815 -44.8169 80.4068 22.1326 -49.9452 -44.2194 -53.9177 -2.85251 TIMING: 776600 CPU: 2420.43, 0.00312579/step Wall: 2420.43, 0.00312579/step, 3.66707 hours remaining, 234.046875 MB of memory in use. ENERGY: 776600 4025.3613 20802.1524 14580.9284 265.4972 -203189.2294 3007.4328 0.0000 0.0000 51871.8947 -108635.9627 298.1085 -160507.8574 -108281.2331 300.2781 -67.6619 -43.2298 764102.6648 12.7782 12.9733 PRESSURE: 776800 114.541 10.4731 -99.7378 10.4732 300.665 64.3752 -99.7381 64.3765 355.61 GPRESSURE: 776800 136.362 -42.805 -80.7601 -63.8213 367.417 10.14 -56.8527 92.848 355.173 PRESSAVG: 776800 -20.2672 -16.0128 -24.7687 -16.0129 27.6205 -10.32 -24.7687 -10.3199 -7.26349 GPRESSAVG: 776800 -18.6152 -15.139 -24.8738 -19.0694 26.9608 -10.3455 -24.1064 -10.3597 -7.93276 TIMING: 776800 CPU: 2421.06, 0.00311282/step Wall: 2421.06, 0.00311282/step, 3.65169 hours remaining, 234.046875 MB of memory in use. ENERGY: 776800 4043.1836 20502.6397 14504.9442 245.0560 -203053.5274 2982.7407 0.0000 0.0000 51965.3818 -108809.5815 298.6458 -160774.9632 -108450.2983 299.7306 256.9385 286.3172 764094.1845 0.0299 0.1376 PRESSURE: 777000 -219.937 21.1896 -28.6392 21.1894 105.169 -29.0541 -28.6389 -29.0534 -143.691 GPRESSURE: 777000 -226.956 -81.7039 -29.6643 90.3991 78.1532 -48.6355 -51.9099 -74.376 -45.928 PRESSAVG: 777000 32.8851 -29.9328 52.6327 -29.9328 -17.2768 -5.02153 52.6328 -5.02147 18.3089 GPRESSAVG: 777000 32.541 -30.4335 53.3136 -28.2063 -17.5961 -4.1121 50.808 -7.1642 19.0781 TIMING: 777000 CPU: 2421.68, 0.00313185/step Wall: 2421.68, 0.00313185/step, 3.67383 hours remaining, 234.046875 MB of memory in use. ENERGY: 777000 4025.7578 20662.9100 14578.5579 244.5374 -203066.0595 2814.1690 0.0000 0.0000 52024.9781 -108715.1493 298.9883 -160740.1274 -108355.2076 299.6194 -86.1528 -64.9102 764906.0958 11.3057 11.3410 PRESSURE: 777200 -125.258 -25.978 356.261 -25.9784 274.109 -101.031 356.261 -101.031 64.1658 GPRESSURE: 777200 -35.9755 -65.319 392.263 13.8644 203.096 -78.151 331.408 -33.2858 133.466 PRESSAVG: 777200 9.32209 8.49774 30.1637 8.49774 15.3048 -18.3816 30.1637 -18.3816 6.15998 GPRESSAVG: 777200 9.64742 9.13875 30.36 7.73344 14.3663 -19.8463 31.3397 -18.2457 7.19312 TIMING: 777200 CPU: 2422.31, 0.00313568/step Wall: 2422.31, 0.00313568/step, 3.67815 hours remaining, 234.046875 MB of memory in use. ENERGY: 777200 3919.6977 20521.3518 14475.3491 229.4065 -203144.3017 2845.1642 0.0000 0.0000 52370.2315 -108783.1008 300.9724 -161153.3323 -108422.4317 299.5196 71.0055 100.1955 763044.4308 10.2623 10.4023 PRESSURE: 777400 -117.307 25.1776 -111.33 25.1773 -102.007 -66.8799 -111.33 -66.8805 -85.0602 GPRESSURE: 777400 -106.293 194.857 -187.027 74.0402 -72.5878 -48.865 -8.05074 -46.4702 -39.7451 PRESSAVG: 777400 -62.0942 20.8888 -0.250315 20.8887 54.4739 -57.5807 -0.250249 -57.5807 11.7012 GPRESSAVG: 777400 -61.7907 21.0438 -1.94618 19.828 54.437 -58.4328 1.26281 -55.7882 10.407 TIMING: 777400 CPU: 2422.93, 0.00312451/step Wall: 2422.93, 0.00312451/step, 3.66488 hours remaining, 234.046875 MB of memory in use. ENERGY: 777400 4002.2841 20623.7911 14481.1290 246.8770 -202963.5975 2618.2978 0.0000 0.0000 52175.2786 -108815.9399 299.8520 -160991.2185 -108451.0453 299.5643 -101.4581 -72.8754 763213.6499 1.3603 1.0178 PRESSURE: 777600 -32.5146 49.8098 70.2867 49.8097 22.1215 -38.0856 70.2868 -38.0846 375.755 GPRESSURE: 777600 23.2996 -26.7402 111.688 47.5293 50.817 -14.0136 -4.31725 -95.1784 364.499 PRESSAVG: 777600 -20.8511 11.2235 -31.4133 11.2234 13.4293 67.9482 -31.4133 67.9482 -20.5282 GPRESSAVG: 777600 -21.2025 11.7031 -29.077 12.7449 12.9172 69.6293 -33.5165 68.2012 -19.2959 TIMING: 777600 CPU: 2423.56, 0.00313469/step Wall: 2423.56, 0.00313469/step, 3.67665 hours remaining, 234.046875 MB of memory in use. ENERGY: 777600 3956.9064 20561.5703 14481.7989 238.9457 -202713.5252 2723.4805 0.0000 0.0000 51863.1768 -108887.6467 298.0584 -160750.8235 -108526.7436 299.2764 121.7873 146.2053 765083.0600 -9.3167 -9.1937 PRESSURE: 777800 -187.421 -162.296 9.52807 -162.296 216.328 189.554 9.52899 189.554 -150.167 GPRESSURE: 777800 -129.447 -95.3021 3.02548 -96.5048 222.817 210.258 -8.2158 183.028 -140.38 PRESSAVG: 777800 42.2836 8.1642 -22.3421 8.16418 -33.3799 35.4036 -22.3421 35.4035 -13.3544 GPRESSAVG: 777800 42.1233 8.09331 -23.8682 8.69617 -31.856 35.8114 -20.5248 33.5594 -15.0931 TIMING: 777800 CPU: 2424.18, 0.00310669/step Wall: 2424.18, 0.00310669/step, 3.64363 hours remaining, 234.046875 MB of memory in use. ENERGY: 777800 4052.4768 20583.4434 14439.9467 245.6493 -203222.6486 2995.5118 0.0000 0.0000 51919.5459 -108986.0747 298.3823 -160905.6206 -108623.2391 299.1675 -40.4203 -15.6703 763437.9996 -1.4836 -1.6086 PRESSURE: 778000 28.4986 -49.2655 -74.289 -49.2654 51.8155 171.581 -74.2894 171.581 37.7536 GPRESSURE: 778000 14.5088 -59.3822 -151.429 -170.605 104.69 124.87 -65.495 129.185 42.233 PRESSAVG: 778000 -18.589 28.9117 -2.48971 28.9118 18.446 51.0094 -2.48967 51.0096 10.7867 GPRESSAVG: 778000 -19.2764 28.4898 -1.73829 28.4901 17.8095 51.2578 -4.88713 49.8215 11.8406 TIMING: 778000 CPU: 2424.8, 0.00309187/step Wall: 2424.8, 0.00309187/step, 3.62607 hours remaining, 234.046875 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 3966.9545 20647.5258 14459.5569 244.4830 -202998.3797 2731.0675 0.0000 0.0000 51707.2258 -109241.5662 297.1621 -160948.7920 -108890.7502 298.9947 39.3559 53.8106 762980.9198 3.5479 3.4579 PRESSURE: 778200 -164.157 64.7275 -89.7929 64.7274 -111.931 73.7594 -89.7934 73.7586 -121.993 GPRESSURE: 778200 -157.961 -72.3627 -108.462 -12.6306 -104.455 169.737 76.236 101.487 -45 PRESSAVG: 778200 48.3142 -8.71948 -5.87263 -8.71954 -52.9019 41.7682 -5.87264 41.7683 12.8669 GPRESSAVG: 778200 47.867 -8.98449 -6.13168 -8.6952 -52.2863 41.6126 -4.68758 45.0188 12.5879 TIMING: 778200 CPU: 2425.42, 0.00309718/step Wall: 2425.42, 0.00309718/step, 3.63214 hours remaining, 234.046875 MB of memory in use. ENERGY: 778200 4012.5964 20573.8454 14478.1891 244.1605 -203139.0784 2799.8641 0.0000 0.0000 51847.4835 -109182.9393 297.9682 -161030.4228 -108814.2637 298.5903 -132.6937 -102.4720 763890.4088 2.7597 2.7229 PRESSURE: 778400 137.861 5.64826 -123.334 5.64794 -34.6996 21.4768 -123.333 21.4763 -36.7254 GPRESSURE: 778400 127.175 97.1277 -45.4203 30.802 -49.9331 130.943 -106.078 15.175 72.6478 PRESSAVG: 778400 5.97641 29.9358 8.56715 29.9358 -48.98 32.4811 8.56709 32.4812 4.2018 GPRESSAVG: 778400 7.37518 29.992 9.53843 29.8677 -48.7094 33.2754 8.79191 30.0029 3.05609 TIMING: 778400 CPU: 2426.04, 0.00310718/step Wall: 2426.04, 0.00310718/step, 3.64368 hours remaining, 234.046875 MB of memory in use. ENERGY: 778400 4036.6224 20480.3568 14446.9934 255.3172 -202950.7474 2610.2153 0.0000 0.0000 52016.5899 -109104.6524 298.9401 -161121.2423 -108753.2486 299.0065 22.1455 49.9631 762833.0896 -12.9339 -12.7594 PRESSURE: 778600 23.9969 -87.2678 -90.6829 -87.2674 52.9501 -45.4906 -90.6833 -45.4897 -12.4382 GPRESSURE: 778600 33.7807 -253.187 16.587 -35.4503 44.0744 -43.0383 -154.528 155.013 47.7764 PRESSAVG: 778600 -43.3394 10.231 -8.64924 10.231 21.4874 27.9981 -8.64927 27.9981 6.08034 GPRESSAVG: 778600 -43.6059 8.023 -8.33319 9.65261 19.7774 26.8229 -10.3866 30.9453 7.30744 TIMING: 778600 CPU: 2426.66, 0.00310971/step Wall: 2426.66, 0.00310971/step, 3.64648 hours remaining, 234.046875 MB of memory in use. ENERGY: 778600 3970.5986 20455.2635 14463.3028 240.9443 -203274.1636 3028.7755 0.0000 0.0000 52112.1153 -109003.1636 299.4890 -161115.2789 -108637.0582 299.0094 21.5029 41.8772 763764.6201 -5.2572 -5.5070 PRESSURE: 778800 178.214 60.8502 171.663 60.8496 171.405 -152.305 171.663 -152.306 592.159 GPRESSURE: 778800 332.228 186.199 132.125 65.4398 218.17 -152.161 -9.46018 -155.877 472.281 PRESSAVG: 778800 33.0749 17.0517 30.6454 17.0517 -16.3843 32.4844 30.6454 32.4844 -5.60154 GPRESSAVG: 778800 32.3972 20.106 29.9619 15.4886 -13.899 32.2016 30.353 31.2798 -6.70746 TIMING: 778800 CPU: 2427.29, 0.0031104/step Wall: 2427.29, 0.0031104/step, 3.64711 hours remaining, 234.046875 MB of memory in use. ENERGY: 778800 3978.1890 20367.7798 14470.0807 245.7042 -203219.6425 3047.8313 0.0000 0.0000 51913.1353 -109196.9223 298.3455 -161110.0576 -108836.8680 299.0179 313.9259 340.8929 763027.9554 3.6964 3.9302 PRESSURE: 779000 -253.364 64.4025 -28.448 64.4027 -439.32 0.413589 -28.4489 0.4148 251.161 GPRESSURE: 779000 -213.602 42.2933 31.7735 60.4955 -409.572 34.1499 12.3416 -103.689 254.983 PRESSAVG: 779000 21.5099 -28.4987 -7.57557 -28.4987 -15.9562 26.9987 -7.57558 26.9987 3.56572 GPRESSAVG: 779000 21.6526 -29.2456 -8.27504 -27.4 -16.9397 25.7157 -6.01965 26.1514 4.48957 TIMING: 779000 CPU: 2427.91, 0.00310761/step Wall: 2427.91, 0.00310761/step, 3.64367 hours remaining, 234.046875 MB of memory in use. ENERGY: 779000 4000.0966 20365.9055 14555.9246 222.2226 -203076.5045 2872.8275 0.0000 0.0000 51738.8870 -109320.6408 297.3441 -161059.5278 -108964.7989 298.4909 -147.1744 -122.7307 764004.8165 3.0398 3.0675 PRESSURE: 779200 330.644 -75.8235 24.1962 -75.8228 -152.15 -316.675 24.1966 -316.675 -81.5276 GPRESSURE: 779200 334.989 -37.9514 67.1526 -49.0052 -67.7925 -396.031 122.334 -154.595 -108.772 PRESSAVG: 779200 26.8524 -53.817 6.12104 -53.817 4.97908 -44.2911 6.12101 -44.291 5.92994 GPRESSAVG: 779200 27.2993 -55.3075 6.3177 -52.8217 4.91689 -43.0824 5.91641 -43.0442 6.13607 TIMING: 779200 CPU: 2428.53, 0.00311628/step Wall: 2428.53, 0.00311628/step, 3.65367 hours remaining, 234.046875 MB of memory in use. ENERGY: 779200 3965.4707 20345.7027 14463.3031 234.0756 -203510.0877 3233.1056 0.0000 0.0000 51890.7133 -109377.7166 298.2166 -161268.4299 -109023.6004 298.6309 32.3222 52.8082 763950.9284 12.5871 12.7841 PRESSURE: 779400 44.6977 42.9506 -30.5561 42.951 7.36238 -202.577 -30.5569 -202.576 -276.563 GPRESSURE: 779400 57.4557 2.69708 -131.43 68.186 68.5232 -153.947 43.3683 -184.057 -287.673 PRESSAVG: 779400 47.174 31.9838 37.318 31.9838 -22.8498 -36.0948 37.318 -36.0948 0.969607 GPRESSAVG: 779400 47.3928 31.7205 37.0251 31.5201 -22.3176 -35.6124 37.0629 -35.506 0.258972 TIMING: 779400 CPU: 2429.15, 0.00311481/step Wall: 2429.15, 0.00311481/step, 3.65176 hours remaining, 234.046875 MB of memory in use. ENERGY: 779400 4021.5322 20331.4347 14448.5852 264.2042 -203588.0246 3138.4651 0.0000 0.0000 51953.8639 -109429.9393 298.5796 -161383.8032 -109058.9097 298.2023 -74.8341 -53.8979 763613.9420 8.4313 8.4447 PRESSURE: 779600 42.0937 34.6055 -135.82 34.6063 377.502 -66.4934 -135.82 -66.4935 -13.4354 GPRESSURE: 779600 19.7962 30.7006 -212.582 112.802 404.708 -65.1262 -76.8505 -20.0456 57.6243 PRESSAVG: 779600 4.8006 78.8028 24.7822 78.8027 -21.8346 23.9154 24.7822 23.9154 -12.3812 GPRESSAVG: 779600 4.29126 79.2237 26.738 80.3398 -21.4388 24.034 26.1485 20.9298 -12.4679 TIMING: 779600 CPU: 2429.78, 0.00311423/step Wall: 2429.78, 0.00311423/step, 3.65091 hours remaining, 234.046875 MB of memory in use. ENERGY: 779600 3945.2621 20366.3428 14532.6638 248.6177 -203206.4212 2860.4129 0.0000 0.0000 51725.3756 -109527.7462 297.2664 -161253.1219 -109171.6587 297.8767 135.3869 160.7094 762984.8507 -9.8051 -9.8718 PRESSURE: 779800 -64.0516 -132.501 227.562 -132.501 -124.608 -18.7137 227.561 -18.7137 -240.286 GPRESSURE: 779800 -2.58959 -157.262 161.526 -127.69 -120.871 -59.8433 152.784 35.2131 -205.876 PRESSAVG: 779800 -47.8531 -7.52417 32.0828 -7.52413 15.8055 33.8699 32.0827 33.8698 12.6254 GPRESSAVG: 779800 -49.386 -7.34696 30.8825 -8.7448 15.8877 33.203 31.2094 36.408 14.5396 TIMING: 779800 CPU: 2430.4, 0.00311221/step Wall: 2430.4, 0.00311221/step, 3.64837 hours remaining, 234.046875 MB of memory in use. ENERGY: 779800 4053.1525 20244.3518 14472.8292 253.0919 -203041.0665 2756.3664 0.0000 0.0000 51648.7375 -109612.5373 296.8260 -161261.2748 -109254.2118 297.8942 -142.9816 -109.7791 764313.0657 -6.4741 -6.3196 PRESSURE: 780000 -279.68 5.79558 165.407 5.79618 -119.855 128.343 165.407 128.343 -158.627 GPRESSURE: 780000 -194.533 79.4855 139.759 -42.5991 -188.598 93.7475 65.0234 96.125 -84.7294 PRESSAVG: 780000 -14.4256 -5.92481 -34.8017 -5.92477 8.63367 -20.8488 -34.8016 -20.8488 13.427 GPRESSAVG: 780000 -13.731 -4.98831 -35.6952 -5.92569 9.19995 -20.4703 -33.5938 -22.0864 12.1391 TIMING: 780000 CPU: 2431.02, 0.00311809/step Wall: 2431.02, 0.00311809/step, 3.65509 hours remaining, 234.046875 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 4010.1576 20357.6457 14453.2636 260.4849 -203332.6938 3015.9444 0.0000 0.0000 51675.3581 -109559.8394 296.9790 -161235.1975 -109193.2245 297.7589 -186.0539 -155.9535 764670.4792 2.5450 2.5360 PRESSURE: 780200 -25.8476 -40.7915 246.38 -40.7919 195.047 -242.324 246.38 -242.323 294.894 GPRESSURE: 780200 60.359 -55.2407 245.261 -14.2148 250.164 -250.992 278.074 -223.545 254.616 PRESSAVG: 780200 -5.09038 -2.05872 -19.3676 -2.05877 24.8569 -40.4752 -19.3675 -40.4752 -1.45326 GPRESSAVG: 780200 -4.69904 -4.44381 -17.7417 -1.46311 24.2044 -40.7248 -20.0498 -40.353 -1.50068 TIMING: 780200 CPU: 2431.65, 0.00312579/step Wall: 2431.65, 0.00312579/step, 3.66394 hours remaining, 234.046875 MB of memory in use. ENERGY: 780200 3988.7895 20266.8631 14539.0199 270.0550 -203255.2847 3033.1222 0.0000 0.0000 51792.6082 -109364.8267 297.6528 -161157.4349 -109000.4710 297.9549 154.6975 188.3796 763102.4970 6.1044 6.0015 LDB: ============= START OF LOAD BALANCING ============== 2444.13 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2444.13 LDB: =============== DONE WITH MIGRATION ================ 2444.13 LDB: ============= START OF LOAD BALANCING ============== 2444.44 LDB: Largest compute 6972 load 0.032840 is 16.8% of average load 0.195067 LDB: Average compute 0.004362 is 2.2% of average load 0.195067 LDB: TIME 2444.44 LOAD: AVG 0.195067 MAX 0.217566 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.816 MB LDB: TIME 2444.44 LOAD: AVG 0.195067 MAX 0.217566 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.816 MB LDB: TIME 2444.44 LOAD: AVG 0.195067 MAX 0.217566 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.816 MB LDB: ============== END OF LOAD BALANCING =============== 2444.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2444.45 PRESSURE: 780400 -148.684 93.0777 88.8247 93.0768 128.321 -177.719 88.8257 -177.718 -17.4684 GPRESSURE: 780400 -155.867 13.8696 -25.8368 18.6421 135.958 -172.355 36.0723 -140.552 40.6293 PRESSAVG: 780400 11.8177 2.65767 6.82544 2.65769 -24.2061 -15.0914 6.82546 -15.0913 11.8104 GPRESSAVG: 780400 11.9213 5.19064 5.58255 2.46017 -25.6578 -14.4967 6.41023 -14.6703 13.3056 TIMING: 780400 CPU: 2432.28, 0.00318267/step Wall: 2432.28, 0.00318267/step, 3.73045 hours remaining, 235.644531 MB of memory in use. ENERGY: 780400 3906.6523 20464.4824 14512.1190 240.6563 -203250.8176 2992.9608 0.0000 0.0000 51859.6132 -109274.3336 298.0379 -161133.9467 -108928.5060 297.8142 -12.6105 6.9066 764330.3853 -0.1927 -0.1436 PRESSURE: 780600 50.2114 80.1167 37.0402 80.1166 -368.474 -137.712 37.0411 -137.712 206.886 GPRESSURE: 780600 15.3815 126.596 2.37924 106.389 -292.116 -47.2942 44.7446 -257.164 251.912 PRESSAVG: 780600 52.3128 18.796 -17.8865 18.796 -54.6225 -19.6745 -17.8865 -19.6745 16.9419 GPRESSAVG: 780600 50.2721 18.4694 -18.2158 16.2176 -51.4893 -19.9573 -16.9999 -22.2767 16.4225 TIMING: 780600 CPU: 2432.91, 0.0031242/step Wall: 2432.91, 0.0031242/step, 3.66174 hours remaining, 235.644531 MB of memory in use. ENERGY: 780600 3989.5406 20493.5366 14552.7962 259.0107 -203425.7713 3015.1684 0.0000 0.0000 51925.0013 -109190.7174 298.4137 -161115.7188 -108831.8528 298.8859 -37.1254 -8.2742 763939.5311 4.8774 5.0684 PRESSURE: 780800 74.692 105.752 62.847 105.751 356.857 -17.9566 62.8477 -17.9578 22.363 GPRESSURE: 780800 103.843 111.977 4.93046 156.766 405.174 -9.04172 1.74951 -42.9931 19.7242 PRESSAVG: 780800 54.7619 -23.7168 32.9728 -23.7168 -2.80694 1.49717 32.9729 1.49712 -6.3269 GPRESSAVG: 780800 56.3158 -24.7604 32.6899 -20.5489 -4.09383 1.88093 34.0031 1.98003 -6.44773 TIMING: 780800 CPU: 2433.53, 0.0031023/step Wall: 2433.53, 0.0031023/step, 3.6359 hours remaining, 235.644531 MB of memory in use. ENERGY: 780800 3984.4026 20404.9203 14498.4430 257.0104 -203403.0968 2999.6663 0.0000 0.0000 52065.7768 -109192.8775 299.2227 -161258.6542 -108825.6288 298.5415 151.3039 176.2469 763189.6157 15.2093 15.2581 PRESSURE: 781000 357.052 -134.768 142.653 -134.768 222.051 -76.0472 142.653 -76.0465 29.0743 GPRESSURE: 781000 372.601 -90.5799 73.6848 -115.712 221.412 -50.4965 132.541 22.154 74.2965 PRESSAVG: 781000 3.80355 -18.4568 59.1202 -18.4568 -18.3405 -31.3362 59.1202 -31.3362 26.6461 GPRESSAVG: 781000 4.70641 -17.0418 58.9977 -20.9574 -18.4477 -31.1103 58.4325 -28.2571 26.3655 TIMING: 781000 CPU: 2434.15, 0.0031081/step Wall: 2434.15, 0.0031081/step, 3.64252 hours remaining, 235.644531 MB of memory in use. ENERGY: 781000 3940.3841 20391.9131 14478.6373 233.5906 -203084.5641 3207.5291 0.0000 0.0000 51768.3002 -109064.2098 297.5131 -160832.5100 -108718.1721 298.7260 202.7257 222.7699 765005.9935 4.0364 4.2081 PRESSURE: 781200 253.163 84.6185 33.5173 84.6183 -14.5461 -220.474 33.5169 -220.474 -171.781 GPRESSURE: 781200 287.771 -6.06877 104.706 -9.05207 3.11547 -257.772 15.647 -179.353 -115.15 PRESSAVG: 781200 -32.5942 -3.59824 58.8332 -3.59829 10.9092 -36.351 58.8331 -36.3511 -16.1637 GPRESSAVG: 781200 -32.8058 -2.27615 58.8952 -3.51722 11.5051 -37.7567 57.6915 -36.1802 -16.488 TIMING: 781200 CPU: 2434.77, 0.00310348/step Wall: 2434.77, 0.00310348/step, 3.63694 hours remaining, 235.644531 MB of memory in use. ENERGY: 781200 4000.7725 20430.5526 14479.2564 233.9637 -202841.2148 2863.0252 0.0000 0.0000 51677.8738 -109155.7705 296.9935 -160833.6443 -108804.5795 298.1637 22.2789 58.5787 765734.8106 -12.6162 -12.5962 PRESSURE: 781400 45.9965 56.0285 -128.825 56.0277 8.65763 -110.521 -128.826 -110.521 -251.738 GPRESSURE: 781400 2.89458 31.753 -154.367 88.9094 28.6639 -28.9752 -65.7581 -52.8008 -140.869 PRESSAVG: 781400 8.9634 36.0163 56.202 36.0163 -22.2562 0.72974 56.2019 0.729748 -1.15441 GPRESSAVG: 781400 9.11326 35.1716 57.305 37.187 -24.8246 1.38495 57.7028 -2.01129 0.863667 TIMING: 781400 CPU: 2435.4, 0.00311633/step Wall: 2435.4, 0.00311633/step, 3.65182 hours remaining, 235.644531 MB of memory in use. ENERGY: 781400 3995.7219 20616.8122 14495.0634 232.6621 -203055.5275 2914.7313 0.0000 0.0000 51950.8425 -108849.6941 298.5622 -160800.5366 -108486.2268 299.1061 -65.6947 -36.4368 765920.1126 -4.8157 -4.9492 PRESSURE: 781600 70.8306 -126.011 -129.056 -126.01 317.452 -39.4897 -129.056 -39.4902 196.85 GPRESSURE: 781600 91.9313 -99.5023 -14.4427 -160.368 372.138 -18.7198 -169.762 -26.6496 208.596 PRESSAVG: 781600 47.1282 -23.1949 23.4672 -23.1949 -41.8232 -2.90624 23.4672 -2.90624 8.03433 GPRESSAVG: 781600 48.4893 -24.0094 23.101 -23.9433 -41.1483 -4.1131 21.5803 -1.40325 6.54505 TIMING: 781600 CPU: 2436.02, 0.00312393/step Wall: 2436.02, 0.00312393/step, 3.66056 hours remaining, 235.644531 MB of memory in use. ENERGY: 781600 3952.6197 20544.4247 14501.8680 256.6335 -203105.2094 2980.2001 0.0000 0.0000 51896.1061 -108973.3573 298.2476 -160869.4634 -108616.2334 299.1353 195.0442 224.2217 764824.5833 4.4465 4.6287 PRESSURE: 781800 -10.9741 -54.423 131.152 -54.4228 -23.4316 -36.5867 131.152 -36.586 -262.805 GPRESSURE: 781800 23.708 -74.4175 132.469 53.6867 -44.146 -24.0173 168.36 -78.3664 -176.233 PRESSAVG: 781800 2.76364 3.68514 68.0914 3.68506 10.6892 11.4251 68.0913 11.4252 5.31354 GPRESSAVG: 781800 1.44606 4.26001 68.6399 5.36289 11.7443 11.0768 69.561 11.1088 5.7875 TIMING: 781800 CPU: 2436.64, 0.00311543/step Wall: 2436.64, 0.00311543/step, 3.65042 hours remaining, 235.644531 MB of memory in use. ENERGY: 781800 3983.4748 20392.1565 14491.6829 235.7249 -202612.2331 2649.8159 0.0000 0.0000 52032.9722 -108826.4058 299.0342 -160859.3781 -108472.9798 299.2019 -99.0701 -65.5570 764898.3556 6.2555 6.3260 PRESSURE: 782000 -289.089 -147.489 165.725 -147.489 -170.066 106.439 165.725 106.439 130.182 GPRESSURE: 782000 -250.864 -113.022 174.019 -76.0509 -153.656 178.118 50.6032 149.258 143.805 PRESSAVG: 782000 -26.3625 -12.8671 36.1943 -12.8672 14.8375 19.4999 36.1943 19.5 19.439 GPRESSAVG: 782000 -27.4433 -14.1599 35.1048 -12.9879 14.3603 21.4185 36.0799 20.167 20.2922 TIMING: 782000 CPU: 2437.27, 0.00311232/step Wall: 2437.27, 0.00311232/step, 3.6466 hours remaining, 235.644531 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: 782000 3892.5156 20631.7714 14472.0174 247.4239 -202848.0506 2815.5032 0.0000 0.0000 52208.1402 -108580.6788 300.0409 -160788.8191 -108227.1113 299.6739 -109.6576 -86.9050 765301.2265 2.6380 2.4031 PRESSURE: 782200 -74.9137 99.4566 103.089 99.4568 -122.49 69.6142 103.087 69.6135 -125.849 GPRESSURE: 782200 -16.5863 43.9649 78.4798 151.013 -90.7417 49.9691 63.8705 97.5008 -134.82 PRESSAVG: 782200 -20.2802 -61.66 45.159 -61.6601 1.02303 0.482033 45.159 0.482006 5.81818 GPRESSAVG: 782200 -18.3955 -62.6908 46.3984 -61.2213 1.24616 -0.260768 44.4559 1.56111 3.18421 TIMING: 782200 CPU: 2437.89, 0.00312497/step Wall: 2437.89, 0.00312497/step, 3.66125 hours remaining, 235.644531 MB of memory in use. ENERGY: 782200 3961.6061 20402.7579 14441.6041 247.3427 -202226.6285 2601.6988 0.0000 0.0000 51854.3697 -108717.2492 298.0078 -160571.6189 -108357.4354 299.6309 -107.7508 -80.7159 767220.5276 -4.4797 -4.6551 PRESSURE: 782400 354.528 56.2916 -28.8838 56.2921 36.2969 -104.028 -28.8838 -104.027 184.663 GPRESSURE: 782400 422.022 91.0323 -22.577 -57.6294 35.1254 -179.934 -29.7258 -126.183 212.358 PRESSAVG: 782400 17.821 -15.7645 -17.5415 -15.7646 -14.3973 -31.1024 -17.5416 -31.1024 11.2156 GPRESSAVG: 782400 16.0153 -15.8548 -18.788 -16.3239 -13.9395 -30.8384 -15.3383 -32.6202 13.1494 TIMING: 782400 CPU: 2438.51, 0.00310564/step Wall: 2438.51, 0.00310564/step, 3.63843 hours remaining, 235.644531 MB of memory in use. ENERGY: 782400 3952.2480 20398.6686 14448.1129 265.5422 -203003.5731 3088.8221 0.0000 0.0000 52043.3369 -108806.8423 299.0938 -160850.1792 -108446.2295 299.2082 191.8291 223.1684 765317.6786 4.8798 5.0751 PRESSURE: 782600 14.2669 -182.072 -154.338 -182.073 -37.3652 16.3639 -154.338 16.3637 -169.499 GPRESSURE: 782600 22.9067 -131.348 -86.9235 -149.447 3.89813 7.66099 -137.919 86.9899 -141.622 PRESSAVG: 782600 -23.7507 -45.0442 -54.6852 -45.0442 8.49119 -24.0862 -54.6852 -24.0862 -2.11339 GPRESSAVG: 782600 -22.8498 -41.3197 -53.4525 -47.0452 8.1996 -23.5003 -56.8471 -24.125 -2.47686 TIMING: 782600 CPU: 2439.14, 0.0031179/step Wall: 2439.14, 0.0031179/step, 3.65262 hours remaining, 235.644531 MB of memory in use. ENERGY: 782600 3924.2073 20318.4954 14403.1641 238.0627 -202493.3723 2695.8483 0.0000 0.0000 52133.2478 -108780.3466 299.6105 -160913.5944 -108421.1538 298.9216 -64.1991 -38.2725 766469.8045 -5.7910 -5.7090 PRESSURE: 782800 -39.4772 37.1782 -16.835 37.178 -287.178 16.135 -16.8351 16.1351 -249.985 GPRESSURE: 782800 -60.6647 125.702 33.0695 79.0395 -146.335 -35.6213 14.5349 54.9893 -292.852 PRESSAVG: 782800 58.7568 -29.3967 -23.0267 -29.3967 -58.5527 -10.4096 -23.0267 -10.4096 -16.9761 GPRESSAVG: 782800 58.0133 -31.4373 -23.0219 -28.8472 -57.9741 -10.2747 -23.0622 -9.76531 -16.5906 TIMING: 782800 CPU: 2439.76, 0.00313018/step Wall: 2439.76, 0.00313018/step, 3.66683 hours remaining, 235.644531 MB of memory in use. ENERGY: 782800 4033.9543 20257.4755 14445.7370 239.1386 -202507.4383 2611.1313 0.0000 0.0000 52182.4206 -108737.5810 299.8931 -160920.0017 -108372.3323 298.9841 -192.2136 -166.6173 767119.0508 -5.5907 -5.5172 PRESSURE: 783000 8.43014 -202.604 361.574 -202.605 -131.569 -11.9608 361.574 -11.9608 266.427 GPRESSURE: 783000 39.8013 -148.422 286.257 -94.7586 -166.284 79.247 320.349 -3.44636 353.325 PRESSAVG: 783000 64.5394 2.08825 -9.20891 2.08812 -28.445 22.5952 -9.20886 22.5952 15.7873 GPRESSAVG: 783000 65.4203 1.38365 -10.7291 3.63507 -29.3603 21.5878 -8.20451 22.8939 16.1585 TIMING: 783000 CPU: 2440.38, 0.00310708/step Wall: 2440.38, 0.00310708/step, 3.6396 hours remaining, 235.644531 MB of memory in use. ENERGY: 783000 3971.5865 20485.1062 14412.6943 257.7866 -202775.6234 2862.3059 0.0000 0.0000 52249.6079 -108536.5359 300.2792 -160786.1438 -108178.8871 299.7134 47.7628 75.6140 765649.1252 17.2939 17.4062 PRESSURE: 783200 -69.4609 -67.7802 16.4075 -67.7798 -23.1669 -190.165 16.4066 -190.165 -246.122 GPRESSURE: 783200 23.5645 -85.305 -7.7159 -85.4304 -31.1379 -234.374 -9.43129 -90.0092 -249.337 PRESSAVG: 783200 -44.0575 -36.5412 9.73315 -36.5413 37.1749 -16.269 9.73322 -16.2691 18.2706 GPRESSAVG: 783200 -43.0525 -34.8247 11.1658 -37.2391 36.7045 -16.1322 10.5249 -15.4546 18.0144 TIMING: 783200 CPU: 2441, 0.00309101/step Wall: 2441, 0.00309101/step, 3.6206 hours remaining, 235.644531 MB of memory in use. ENERGY: 783200 3975.4628 20528.8597 14465.1481 230.1793 -203079.0450 3152.8863 0.0000 0.0000 52368.3852 -108358.1236 300.9618 -160726.5088 -107991.8938 300.0414 -112.9167 -85.6368 766267.0751 3.7960 3.8888 PRESSURE: 783400 -417.828 -62.3739 -91.3678 -62.3732 -121.888 27.6429 -91.3679 27.644 -451.037 GPRESSURE: 783400 -467.364 23.9653 -225.998 37.9165 -108.686 34.2823 39.5107 8.0184 -344.813 PRESSAVG: 783400 -32.0373 -9.79403 6.3288 -9.79404 56.034 -53.5638 6.32874 -53.5638 -11.6675 GPRESSAVG: 783400 -32.7782 -12.7513 5.38604 -9.39056 57.8111 -52.1119 5.25771 -54.4465 -12.7671 TIMING: 783400 CPU: 2441.62, 0.00311497/step Wall: 2441.62, 0.00311497/step, 3.6485 hours remaining, 235.644531 MB of memory in use. ENERGY: 783400 3970.2898 20556.7046 14455.5100 244.7440 -202273.7050 2438.3178 0.0000 0.0000 52206.1259 -108402.0130 300.0293 -160608.1389 -108044.6851 300.1863 -330.2508 -306.9545 765789.9995 4.1098 4.0886 PRESSURE: 783600 383.013 -102.949 53.4421 -102.949 -71.8461 153.165 53.4419 153.166 119.921 GPRESSURE: 783600 406.795 -47.4241 80.3785 12.7374 -90.1873 220.713 82.0606 87.2365 187.04 PRESSAVG: 783600 -25.7517 33.9475 26.4351 33.9476 -2.45736 -37.1625 26.4351 -37.1625 -14.1727 GPRESSAVG: 783600 -25.203 35.5202 26.0925 32.7423 -3.96263 -38.3864 25.4279 -37.1618 -13.0327 TIMING: 783600 CPU: 2442.25, 0.00310698/step Wall: 2442.25, 0.00310698/step, 3.63896 hours remaining, 235.644531 MB of memory in use. ENERGY: 783600 4001.7973 20474.7354 14431.1238 246.2440 -202604.1537 2733.4127 0.0000 0.0000 52090.7383 -108626.1022 299.3662 -160716.8405 -108262.5758 300.1258 143.6959 167.8826 765121.0305 -14.1272 -14.0661 PRESSURE: 783800 -121.167 -96.8319 -42.6342 -96.8321 303.346 18.5136 -42.6344 18.513 50.5209 GPRESSURE: 783800 -70.508 -145.324 -70.8631 -12.1711 285.123 18.2278 -55.884 182.269 68.6976 PRESSAVG: 783800 -12.3842 -15.0642 4.92795 -15.0642 29.1137 5.82659 4.92792 5.82657 -17.228 GPRESSAVG: 783800 -12.5603 -16.278 5.99457 -13.2004 29.8165 6.13679 6.27128 5.99283 -17.7483 TIMING: 783800 CPU: 2442.87, 0.0031058/step Wall: 2442.87, 0.0031058/step, 3.6374 hours remaining, 235.644531 MB of memory in use. ENERGY: 783800 4083.7457 20637.4849 14448.8458 233.5440 -202805.0585 2725.3422 0.0000 0.0000 51921.4017 -108754.6941 298.3930 -160676.0958 -108404.6994 298.9472 77.5667 94.4377 763840.6692 -0.1662 -0.1641 PRESSURE: 784000 -118.084 -53.8338 131.242 -53.834 -34.8877 -30.9573 131.242 -30.9577 -183.075 GPRESSURE: 784000 -100.979 -67.929 121.267 -171.231 -55.7336 9.82621 196.677 -93.6257 -126.82 PRESSAVG: 784000 -66.7452 -81.0887 4.80074 -81.0886 8.89654 -1.86662 4.80072 -1.86664 33.7895 GPRESSAVG: 784000 -66.9386 -79.047 4.75893 -80.6501 8.23399 -1.22212 3.86907 -2.46207 33.9869 TIMING: 784000 CPU: 2443.49, 0.00311117/step Wall: 2443.49, 0.00311117/step, 3.64353 hours remaining, 235.644531 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: 784000 3959.5159 20413.2387 14440.3412 243.8455 -202095.9524 2265.8230 0.0000 0.0000 51996.3089 -108776.8792 298.8235 -160773.1881 -108420.3536 298.6695 -112.0154 -94.5109 764021.4216 -8.0197 -8.2393 PRESSURE: 784200 -174.234 -34.3964 31.9553 -34.3964 177.839 185.277 31.9559 185.277 84.4341 GPRESSURE: 784200 -159.3 -53.059 45.8233 33.2433 235.235 259.122 70.0726 219.01 115.833 PRESSAVG: 784200 -6.89839 -35.1054 48.016 -35.1054 -26.4549 24.4253 48.016 24.4253 8.87436 GPRESSAVG: 784200 -7.12336 -35.6092 46.5229 -35.7291 -25.6009 25.4125 47.387 23.835 8.85349 TIMING: 784200 CPU: 2444.11, 0.00312666/step Wall: 2444.11, 0.00312666/step, 3.66149 hours remaining, 235.644531 MB of memory in use. ENERGY: 784200 3953.9980 20389.7064 14412.7328 234.1834 -202561.9413 2686.9121 0.0000 0.0000 52196.1957 -108688.2129 299.9723 -160884.4086 -108317.2208 299.4141 29.3463 63.9227 764710.4049 -8.1596 -7.9569 LDB: ============= START OF LOAD BALANCING ============== 2456.59 LDB: ============== END OF LOAD BALANCING =============== 2456.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2456.59 LDB: ============= START OF LOAD BALANCING ============== 2456.91 LDB: Largest compute 6972 load 0.032356 is 16.6% of average load 0.195018 LDB: Average compute 0.004385 is 2.2% of average load 0.195018 LDB: TIME 2456.91 LOAD: AVG 0.195018 MAX 0.214935 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 237.059 MB LDB: TIME 2456.91 LOAD: AVG 0.195018 MAX 0.214935 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.152 MB LDB: TIME 2456.91 LOAD: AVG 0.195018 MAX 0.214935 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.152 MB LDB: ============== END OF LOAD BALANCING =============== 2456.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2456.92 PRESSURE: 784400 -78.8583 -85.1101 -71.0279 -85.1101 116.03 -251.792 -71.0267 -251.793 436.999 GPRESSURE: 784400 -10.5857 -212.759 -70.8327 22.1309 153.845 -272.625 -18.3011 -154.449 419.001 PRESSAVG: 784400 -37.7591 -19.2997 -35.2469 -19.2997 54.5981 24.0408 -35.2468 24.0408 -19.301 GPRESSAVG: 784400 -37.1959 -21.4433 -35.2029 -17.5989 54.9031 23.2498 -32.4721 24.177 -19.9052 TIMING: 784400 CPU: 2444.75, 0.00317807/step Wall: 2444.75, 0.00317807/step, 3.72152 hours remaining, 233.968750 MB of memory in use. ENERGY: 784400 3911.5160 20431.0657 14482.4801 241.9257 -202602.0763 2974.0494 0.0000 0.0000 51963.9980 -108597.0414 298.6378 -160561.0394 -108236.5462 299.4282 158.0568 187.4203 765908.3126 -0.8207 -0.7327 PRESSURE: 784600 -52.4101 30.4644 79.0347 30.4642 0.601387 -74.5762 79.0341 -74.5769 13.1358 GPRESSURE: 784600 -49.655 142.18 90.907 35.6518 63.8289 -119.872 80.2598 -79.5403 56.5942 PRESSAVG: 784600 -51.9892 -42.9493 -49.0172 -42.9494 31.5689 -33.6621 -49.0172 -33.6621 11.8128 GPRESSAVG: 784600 -51.1881 -41.3868 -48.0985 -44.8561 31.2025 -35.0688 -52.2315 -31.0771 11.4386 TIMING: 784600 CPU: 2445.37, 0.00312177/step Wall: 2445.37, 0.00312177/step, 3.65542 hours remaining, 233.968750 MB of memory in use. ENERGY: 784600 3986.7157 20468.6189 14452.6872 247.7470 -202959.0742 3059.6126 0.0000 0.0000 51894.0728 -108849.6201 298.2359 -160743.6929 -108498.8043 299.6082 -12.8910 23.5894 765115.8247 -2.8692 -2.8490 PRESSURE: 784800 -160.582 -150.335 -243.937 -150.335 -20.3863 90.4425 -243.937 90.4417 -24.267 GPRESSURE: 784800 -153.734 -80.5683 -253.269 -159.771 63.578 65.9175 -145.84 57.3289 -44.7533 PRESSAVG: 784800 -19.422 15.2468 -8.97769 15.2468 23.499 18.8204 -8.97767 18.8204 8.24533 GPRESSAVG: 784800 -21.4143 14.1599 -8.93124 15.2939 24.2091 19.1329 -5.52289 18.4026 9.35579 TIMING: 784800 CPU: 2446, 0.00310893/step Wall: 2446, 0.00310893/step, 3.64021 hours remaining, 233.968750 MB of memory in use. ENERGY: 784800 3915.0033 20359.1236 14495.5361 249.4111 -203109.3521 2884.7940 0.0000 0.0000 52055.8262 -109149.6578 299.1655 -161205.4840 -108785.5983 298.7762 -68.4119 -44.9698 765034.5100 4.1074 4.0502 PRESSURE: 785000 -121.442 32.8742 321.89 32.873 153.366 92.022 321.89 92.0214 -70.9962 GPRESSURE: 785000 -105.123 -38.776 312.25 18.7977 157.825 62.2538 240.059 157.231 -24.9785 PRESSAVG: 785000 -68.7831 -9.56785 -3.36782 -9.56797 43.3202 53.688 -3.36782 53.6879 5.02513 GPRESSAVG: 785000 -67.4131 -9.45805 -3.63718 -8.90895 43.4818 53.921 -5.3488 53.0486 3.09303 TIMING: 785000 CPU: 2446.62, 0.0031124/step Wall: 2446.62, 0.0031124/step, 3.6441 hours remaining, 233.968750 MB of memory in use. ENERGY: 785000 4020.8860 20496.8992 14438.4402 228.2445 -202904.3068 2843.3473 0.0000 0.0000 51812.0769 -109064.4127 297.7647 -160876.4896 -108706.1631 298.4006 -13.0240 9.2409 764755.9773 -6.8126 -6.9461 PRESSURE: 785200 -24.3623 -10.201 -166.902 -10.2006 -157.271 -122.986 -166.902 -122.987 -42.0622 GPRESSURE: 785200 -69.3998 68.3433 -270.998 -35.8256 -16.0668 -64.2837 -77.268 -153.019 -61.4028 PRESSAVG: 785200 4.97878 -15.413 -33.1253 -15.413 -3.01139 51.4247 -33.1254 51.4248 -7.92347 GPRESSAVG: 785200 4.51885 -13.3515 -31.968 -16.8022 -3.57764 52.5188 -33.8366 49.571 -7.64603 TIMING: 785200 CPU: 2447.24, 0.00310962/step Wall: 2447.24, 0.00310962/step, 3.64067 hours remaining, 233.968750 MB of memory in use. ENERGY: 785200 3965.6598 20437.9549 14522.8208 264.2067 -202952.8620 2853.1490 0.0000 0.0000 51939.8175 -108969.2533 298.4988 -160909.0708 -108618.0783 299.0276 -74.5652 -48.9565 764176.3610 -1.9854 -2.2349 PRESSURE: 785400 -90.5116 -114.075 -111.733 -114.075 -109.291 -106.281 -111.732 -106.282 -516.195 GPRESSURE: 785400 -8.13117 -48.9862 -80.426 -122.569 -63.4773 -28.6112 -43.2506 -238.864 -552.672 PRESSAVG: 785400 -10.6726 -23.3072 -46.5808 -23.3072 57.6842 32.0508 -46.5808 32.0508 -8.53415 GPRESSAVG: 785400 -11.8123 -24.5061 -47.3864 -23.7179 58.5646 32.6155 -45.1324 32.8191 -7.67119 TIMING: 785400 CPU: 2447.86, 0.00310612/step Wall: 2447.86, 0.00310612/step, 3.63641 hours remaining, 233.968750 MB of memory in use. ENERGY: 785400 3995.1734 20650.4593 14480.5230 250.7381 -203101.1374 2769.3814 0.0000 0.0000 51942.2500 -109012.6122 298.5128 -160954.8621 -108656.5176 299.3327 -238.6660 -208.0933 763518.8503 12.8258 13.0270 PRESSURE: 785600 -453.723 -114.725 -56.9607 -114.726 -20.9125 -261.584 -56.9607 -261.585 -326.6 GPRESSURE: 785600 -448.785 -107.93 14.9748 -89.1414 56.516 -224.976 20.6121 -193.31 -324.843 PRESSAVG: 785600 -14.971 -20.4114 -19.0245 -20.4115 14.7185 -81.7971 -19.0245 -81.7971 7.63524 GPRESSAVG: 785600 -13.3753 -22.0479 -19.2361 -20.4293 12.9313 -82.49 -19.2199 -81.7585 7.78394 TIMING: 785600 CPU: 2448.48, 0.00310864/step Wall: 2448.48, 0.00310864/step, 3.63918 hours remaining, 233.968750 MB of memory in use. ENERGY: 785600 4042.3407 20378.1132 14463.6595 251.0520 -203350.9797 2813.5932 0.0000 0.0000 52070.4769 -109331.7443 299.2497 -161402.2211 -108956.6631 298.9775 -267.0783 -239.0371 763681.5849 2.4609 2.4466 PRESSURE: 785800 -178.751 153.686 -10.5568 153.687 -54.2771 21.314 -10.5569 21.3139 204.256 GPRESSURE: 785800 -171.73 281.098 -51.7841 108.393 46.0742 -24.2714 11.6794 -41.387 203.145 PRESSAVG: 785800 2.69991 -90.8053 19.6435 -90.8053 22.6255 -17.2772 19.6436 -17.277 -19.4077 GPRESSAVG: 785800 3.28191 -88.9503 18.2858 -90.4773 23.3992 -17.2486 21.3266 -15.8281 -20.7732 TIMING: 785800 CPU: 2449.11, 0.00312136/step Wall: 2449.11, 0.00312136/step, 3.6539 hours remaining, 233.968750 MB of memory in use. ENERGY: 785800 3957.6788 20497.4713 14460.9060 237.8083 -203462.3990 2781.3534 0.0000 0.0000 52250.5149 -109276.6662 300.2844 -161527.1812 -108905.9583 298.6633 -9.5908 25.8296 762038.1790 1.9726 1.9693 PRESSURE: 786000 -277.3 0.170174 58.5168 0.170111 -344.532 78.1127 58.5168 78.113 -246.825 GPRESSURE: 786000 -218.675 50.6167 34.2797 30.7558 -268.417 125.399 -43.3677 1.09722 -268.249 PRESSAVG: 786000 -47.9591 -37.5633 -6.21987 -37.5632 116.093 22.604 -6.21984 22.604 2.01973 GPRESSAVG: 786000 -47.2322 -37.05 -4.32022 -39.3998 112.907 22.0373 -10.1501 20.8738 3.82213 TIMING: 786000 CPU: 2449.73, 0.00310873/step Wall: 2449.73, 0.00310872/step, 3.63893 hours remaining, 233.968750 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: 786000 4077.1261 20459.1315 14478.4630 252.6656 -203042.0995 2612.0215 0.0000 0.0000 52075.1511 -109087.5407 299.2766 -161162.6917 -108738.5502 299.0703 -289.5521 -251.7805 763129.6188 23.3847 23.1656 PRESSURE: 786200 106.44 -255.852 371.62 -255.852 142.436 15.7274 371.62 15.7283 445.691 GPRESSURE: 786200 90.2229 -287.494 313.911 -269.487 262.39 69.5253 328.075 43.2819 424.555 PRESSAVG: 786200 -71.5109 -17.63 30.399 -17.63 50.5369 -40.6101 30.399 -40.61 9.12589 GPRESSAVG: 786200 -72.5063 -17.4225 28.8923 -17.5619 52.5043 -41.4051 32.4425 -40.1941 7.84752 TIMING: 786200 CPU: 2450.35, 0.00310766/step Wall: 2450.35, 0.00310766/step, 3.63751 hours remaining, 233.968750 MB of memory in use. ENERGY: 786200 4012.7657 20552.3662 14525.8791 261.8134 -203059.1461 2957.5724 0.0000 0.0000 51971.9884 -108776.7609 298.6837 -160748.7493 -108425.9539 299.5118 231.5222 259.0560 762676.6784 -3.9494 -4.0515 PRESSURE: 786400 152.021 -75.0275 157.046 -75.0275 -135.867 -89.0319 157.046 -89.0313 302.113 GPRESSURE: 786400 141.704 -40.17 159.191 -92.229 -44.8724 -71.7364 174.969 -4.54548 321.528 PRESSAVG: 786400 36.7568 -40.8181 39.8815 -40.8182 -23.1737 -26.6851 39.8814 -26.6851 9.36774 GPRESSAVG: 786400 35.3351 -41.0486 39.5327 -40.0354 -22.7864 -27.0168 39.4252 -25.4222 10.4802 TIMING: 786400 CPU: 2450.97, 0.00311847/step Wall: 2450.97, 0.00311847/step, 3.64999 hours remaining, 233.968750 MB of memory in use. ENERGY: 786400 4020.1348 20473.6791 14500.9273 227.6460 -203164.4286 2877.1211 0.0000 0.0000 52081.1227 -108983.7976 299.3109 -161064.9203 -108623.7919 299.4460 106.0893 139.4534 762825.0298 7.6503 7.6763 PRESSURE: 786600 139.479 -25.7029 -69.5183 -25.7044 264.945 -101.419 -69.5182 -101.419 -90.5775 GPRESSURE: 786600 190.851 -124.143 -65.0767 93.0451 245.989 -149.24 -156.122 -115.652 -46.9898 PRESSAVG: 786600 -23.2637 -11.3477 49.1159 -11.3477 72.376 8.34372 49.1159 8.34378 -2.29427 GPRESSAVG: 786600 -23.0882 -11.2277 49.9582 -11.0115 71.722 9.60395 49.9054 4.04008 -2.39649 TIMING: 786600 CPU: 2451.6, 0.00313456/step Wall: 2451.6, 0.00313456/step, 3.66865 hours remaining, 233.968750 MB of memory in use. ENERGY: 786600 3921.4740 20591.8055 14480.4849 249.1267 -202962.6965 2781.8919 0.0000 0.0000 52148.4280 -108789.4855 299.6977 -160937.9135 -108429.5636 299.4120 104.6155 129.9501 762817.7493 15.6060 15.4124 PRESSURE: 786800 -462.673 -42.1858 -69.1943 -42.1842 -355.168 51.6529 -69.1949 51.6532 108.724 GPRESSURE: 786800 -360.897 -157.987 18.7485 -85.3867 -230.772 44.3511 79.1908 82.7659 -19.2634 PRESSAVG: 786800 -82.1152 -14.0662 4.8768 -14.0661 38.3582 -40.1956 4.87682 -40.1956 24.7179 GPRESSAVG: 786800 -80.4201 -14.4751 4.73356 -13.42 39.1155 -41.7218 3.23511 -36.8641 22.7443 TIMING: 786800 CPU: 2452.23, 0.00312468/step Wall: 2452.23, 0.00312468/step, 3.65692 hours remaining, 233.968750 MB of memory in use. ENERGY: 786800 3993.8669 20521.7988 14420.2360 247.1220 -202664.9246 2645.9723 0.0000 0.0000 52218.2235 -108617.7052 300.0988 -160835.9286 -108235.9014 299.9681 -236.3723 -203.6443 764336.0785 -6.3464 -6.1868 PRESSURE: 787000 201.303 -32.0259 74.197 -32.026 369.141 238.704 74.1977 238.704 -239.102 GPRESSURE: 787000 152.599 72.5044 56.653 -8.73777 403.508 186.006 72.6785 69.9 -129.215 PRESSAVG: 787000 -35.2617 -15.4043 6.0467 -15.4043 32.9816 22.1836 6.04667 22.1836 26.01 GPRESSAVG: 787000 -36.5243 -14.8534 5.93751 -15.885 34.3578 22.4935 7.45426 21.9029 26.2337 TIMING: 787000 CPU: 2452.85, 0.00311844/step Wall: 2452.85, 0.00311844/step, 3.64944 hours remaining, 233.968750 MB of memory in use. ENERGY: 787000 3985.8396 20501.7160 14456.3801 266.7726 -203406.9078 3192.7149 0.0000 0.0000 52349.8054 -108653.6793 300.8551 -161003.4847 -108293.0469 299.8007 110.4473 142.2972 762248.3083 7.9099 8.0224 PRESSURE: 787200 -150.995 348.098 108.234 348.098 -13.0901 391.98 108.234 391.979 68.4435 GPRESSURE: 787200 -125.506 270.245 80.4962 365.297 18.4144 352.153 30.4926 369.185 107.515 PRESSAVG: 787200 -62.4935 40.0222 -18.0856 40.0222 16.2631 -5.89262 -18.0856 -5.89268 14.3374 GPRESSAVG: 787200 -62.8953 40.9248 -19.2826 38.7401 15.7002 -6.42329 -15.6582 -4.10119 15.1655 TIMING: 787200 CPU: 2453.47, 0.00311037/step Wall: 2453.47, 0.00311037/step, 3.63982 hours remaining, 233.968750 MB of memory in use. ENERGY: 787200 4018.7375 20621.2382 14423.5099 262.7364 -202715.5881 2632.3888 0.0000 0.0000 52094.2316 -108662.7457 299.3863 -160756.9772 -108300.8817 299.7718 -31.8806 0.1413 764584.9694 -10.6310 -10.6765 PRESSURE: 787400 53.5786 122.047 51.8145 122.046 85.2021 -54.5998 51.8148 -54.6004 -47.0237 GPRESSURE: 787400 75.9095 177.671 82.6919 116.57 131.676 -195.542 155.552 -96.0815 -27.7969 PRESSAVG: 787400 27.589 48.1525 7.71527 48.1525 38.7109 31.1978 7.7152 31.1978 -10.1666 GPRESSAVG: 787400 28.199 47.8647 10.0394 48.541 36.7368 31.4169 7.63341 30.8823 -9.51117 TIMING: 787400 CPU: 2454.1, 0.00312082/step Wall: 2454.1, 0.00312082/step, 3.65188 hours remaining, 233.968750 MB of memory in use. ENERGY: 787400 4034.8170 20487.3719 14455.7824 247.9443 -202932.3289 2897.6843 0.0000 0.0000 52150.9262 -108657.8027 299.7121 -160808.7289 -108301.2014 299.7848 30.5857 59.9296 765782.5539 18.7111 18.4749 PRESSURE: 787600 -272.191 -33.5296 -38.1822 -33.5296 -121.167 298.138 -38.1825 298.138 88.5965 GPRESSURE: 787600 -184.446 -91.0714 -33.9137 -68.0093 -81.3961 276.833 -3.15807 237.398 34.2398 PRESSAVG: 787600 17.5613 9.77318 -7.48862 9.77315 -31.8282 -56.5002 -7.48866 -56.5002 -9.08741 GPRESSAVG: 787600 18.2883 8.34362 -7.92403 9.22259 -30.3393 -56.7526 -10.4358 -58.6873 -11.1493 TIMING: 787600 CPU: 2454.72, 0.00312812/step Wall: 2454.72, 0.00312813/step, 3.66025 hours remaining, 233.968750 MB of memory in use. ENERGY: 787600 3892.9329 20586.7787 14426.0258 239.1240 -202713.1204 2618.5047 0.0000 0.0000 52277.2269 -108672.5274 300.4379 -160949.7543 -108292.1460 299.4748 -101.5871 -77.2008 766524.1099 -7.7848 -7.7334 PRESSURE: 787800 416.936 -120.21 49.6901 -120.21 61.6128 44.398 49.69 44.398 -39.7648 GPRESSURE: 787800 463.766 -54.2308 -3.23065 -194.61 89.2617 -2.64908 86.3866 2.78299 -63.1647 PRESSAVG: 787800 56.7786 21.1449 -49.0849 21.1448 -15.7064 -26.3497 -49.0849 -26.3497 -18.6718 GPRESSAVG: 787800 55.9677 21.306 -48.9058 21.7211 -16.218 -25.3686 -47.9049 -25.6727 -17.2762 TIMING: 787800 CPU: 2455.35, 0.0031218/step Wall: 2455.35, 0.0031218/step, 3.65268 hours remaining, 233.968750 MB of memory in use. ENERGY: 787800 3954.8017 20530.6529 14428.1023 227.7959 -202878.3649 2955.9167 0.0000 0.0000 52179.2494 -108601.8461 299.8749 -160781.0954 -108243.1682 299.6713 146.2615 163.2877 764152.9996 7.4668 7.4912 PRESSURE: 788000 -519.852 -272.252 -101.092 -272.252 -182.55 -20.4064 -101.093 -20.4077 41.8631 GPRESSURE: 788000 -433.441 -213.273 -103.014 -302.662 -200.8 45.1806 -124.768 -96.3834 69.2497 PRESSAVG: 788000 -43.9808 -23.7899 -35.6569 -23.79 -29.2683 -19.4646 -35.6569 -19.4647 -20.1087 GPRESSAVG: 788000 -43.8687 -23.8107 -36.95 -23.3532 -29.7889 -19.354 -35.676 -19.1227 -20.3866 TIMING: 788000 CPU: 2455.97, 0.00312542/step Wall: 2455.97, 0.00312542/step, 3.65675 hours remaining, 233.968750 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: 788000 4014.4191 20454.0399 14482.9974 245.0630 -202433.4738 2554.0370 0.0000 0.0000 52065.8942 -108617.0233 299.2234 -160682.9175 -108244.9920 299.2785 -220.1796 -188.3303 766419.0228 -31.1193 -31.3481 PRESSURE: 788200 -316.347 107.745 -100.291 107.745 -501.939 184.842 -100.29 184.842 -260.019 GPRESSURE: 788200 -312.673 180.631 -52.0725 128.984 -425.699 157.463 -15.1973 111.154 -249.24 PRESSAVG: 788200 -11.9526 -4.46263 -3.81444 -4.46262 5.83999 44.9817 -3.81449 44.9816 10.3365 GPRESSAVG: 788200 -12.2729 -5.36688 -2.53183 -4.82881 6.72772 44.6512 -3.36472 43.6283 9.61998 TIMING: 788200 CPU: 2456.59, 0.00310657/step Wall: 2456.59, 0.00310657/step, 3.63452 hours remaining, 233.968750 MB of memory in use. ENERGY: 788200 4048.0757 20297.1738 14582.8492 248.8544 -202667.6545 2534.5243 0.0000 0.0000 52206.7680 -108749.4091 300.0330 -160956.1771 -108382.6011 298.9860 -359.4349 -329.2040 765376.4149 1.4080 1.3583 LDB: ============= START OF LOAD BALANCING ============== 2469.07 LDB: ============== END OF LOAD BALANCING =============== 2469.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2469.07 LDB: ============= START OF LOAD BALANCING ============== 2469.38 LDB: Largest compute 6972 load 0.033479 is 17.2% of average load 0.194954 LDB: Average compute 0.004376 is 2.2% of average load 0.194954 LDB: TIME 2469.39 LOAD: AVG 0.194954 MAX 0.216885 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.227 MB LDB: TIME 2469.39 LOAD: AVG 0.194954 MAX 0.216885 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.227 MB LDB: TIME 2469.39 LOAD: AVG 0.194954 MAX 0.216885 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.227 MB LDB: ============== END OF LOAD BALANCING =============== 2469.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2469.39 PRESSURE: 788400 218.828 -264.377 7.5189 -264.377 443.998 -5.86782 7.51845 -5.86674 -72.9421 GPRESSURE: 788400 265.413 -154.898 62.2002 -154.909 474.684 13.5128 -115.18 32.9029 -57.0737 PRESSAVG: 788400 -69.7063 -10.8158 -4.19008 -10.8157 36.241 40.5805 -4.19009 40.5804 2.2251 GPRESSAVG: 788400 -68.7774 -11.1267 -4.33828 -10.482 35.4107 41.2052 -5.99896 40.2554 2.47847 TIMING: 788400 CPU: 2457.23, 0.00317698/step Wall: 2457.23, 0.00317698/step, 3.71672 hours remaining, 235.121094 MB of memory in use. ENERGY: 788400 3980.5371 20312.0830 14499.2533 228.2780 -202837.2097 2953.8611 0.0000 0.0000 52314.4435 -108548.7537 300.6518 -160863.1971 -108177.6201 299.7609 196.6279 227.6747 765739.1873 -10.4134 -10.2961 PRESSURE: 788600 -161.618 301.234 89.9852 301.233 14.4668 6.38562 89.9853 6.38507 -126.725 GPRESSURE: 788600 -70.7525 318.541 103.505 262.02 -38.6386 -74.6298 6.48922 136.904 -92.6818 PRESSAVG: 788600 -3.16191 -8.90577 2.1378 -8.90575 -22.3844 1.23538 2.13775 1.23534 -20.999 GPRESSAVG: 788600 -3.2365 -7.47595 1.88678 -8.54744 -22.6848 0.460852 4.40344 1.82329 -20.6206 TIMING: 788600 CPU: 2457.85, 0.00312492/step Wall: 2457.85, 0.00312492/step, 3.65563 hours remaining, 235.121094 MB of memory in use. ENERGY: 788600 4047.4076 20351.5444 14499.9284 237.6920 -202621.5484 2729.2312 0.0000 0.0000 52259.4218 -108496.3229 300.3356 -160755.7447 -108132.0321 299.8722 -91.2920 -67.3576 765767.1411 -15.5151 -15.5140 PRESSURE: 788800 -37.3549 -67.0665 -116.052 -67.0673 113.639 40.798 -116.051 40.7974 -428.909 GPRESSURE: 788800 -82.5399 6.54862 -112.134 -160.23 158.907 65.8401 -13.6108 36.8096 -349.208 PRESSAVG: 788800 -9.17024 -15.8159 8.10863 -15.8159 -15.311 23.978 8.10865 23.9779 -9.30819 GPRESSAVG: 788800 -9.31824 -16.3874 7.32564 -17.2683 -14.0361 23.9752 8.16173 23.6277 -10.3087 TIMING: 788800 CPU: 2458.48, 0.00311722/step Wall: 2458.48, 0.00311722/step, 3.64646 hours remaining, 235.121094 MB of memory in use. ENERGY: 788800 4045.5565 20462.2246 14452.8897 255.3442 -202656.8557 2711.8937 0.0000 0.0000 52191.6091 -108537.3379 299.9459 -160728.9470 -108174.8799 300.0289 -117.5416 -90.9468 765078.9484 -11.2632 -11.2210 PRESSURE: 789000 -426.849 161.492 -58.6539 161.492 -247.994 -144.637 -58.6548 -144.636 -72.7634 GPRESSURE: 789000 -348.2 104.483 -58.3233 95.4939 -208.947 -190.36 -107.202 -149.911 -112.379 PRESSAVG: 789000 -5.78766 -18.355 -29.5116 -18.3551 -19.5345 13.4502 -29.5116 13.4502 -4.50142 GPRESSAVG: 789000 -6.03763 -19.6954 -28.5191 -17.8052 -19.7777 11.5135 -32.1151 13.765 -3.78872 TIMING: 789000 CPU: 2459.1, 0.00313058/step Wall: 2459.1, 0.00313058/step, 3.6619 hours remaining, 235.121094 MB of memory in use. ENERGY: 789000 4052.7478 20566.4156 14445.0526 245.0877 -202389.6511 2567.2121 0.0000 0.0000 51911.0236 -108602.1117 298.3334 -160513.1354 -108245.3775 299.9050 -249.2023 -223.1755 766101.9052 -9.9412 -9.8680 PRESSURE: 789200 -245.824 81.5689 177.648 81.5683 -84.6413 -115.628 177.648 -115.628 -336.942 GPRESSURE: 789200 -222.803 147.269 211.883 142.851 -132.16 -0.845421 62.8992 -138.224 -239.44 PRESSAVG: 789200 -14.34 -33.3136 -51.0286 -33.3137 11.4255 -47.0443 -51.0286 -47.0442 -5.86745 GPRESSAVG: 789200 -15.0984 -31.3333 -50.4035 -33.6407 11.7078 -44.4099 -51.2637 -47.1833 -5.43322 TIMING: 789200 CPU: 2459.73, 0.00311837/step Wall: 2459.73, 0.00311837/step, 3.64745 hours remaining, 235.121094 MB of memory in use. ENERGY: 789200 4010.8038 20610.5030 14462.0209 234.0917 -202459.0195 2451.4212 0.0000 0.0000 52112.4915 -108577.6873 299.4912 -160690.1788 -108213.2758 300.1722 -222.4691 -198.1340 764425.5417 -2.9273 -2.9413 PRESSURE: 789400 -39.5389 -189.423 72.9424 -189.423 122.791 11.6166 72.9423 11.6156 18.9679 GPRESSURE: 789400 9.12181 -53.7545 66.9874 -226.472 207.755 55.2071 -0.147378 -18.0128 -20.2727 PRESSAVG: 789400 -12.4174 8.96273 -9.8947 8.9627 -3.38865 -43.0284 -9.89475 -43.0285 1.53383 GPRESSAVG: 789400 -12.5769 8.73406 -11.4421 10.6618 -2.94935 -43.0048 -8.66394 -43.32 1.19355 TIMING: 789400 CPU: 2460.35, 0.00311734/step Wall: 2460.35, 0.00311734/step, 3.64608 hours remaining, 235.121094 MB of memory in use. ENERGY: 789400 3988.2615 20559.6193 14425.0997 268.2204 -203091.7259 2941.7178 0.0000 0.0000 52265.6267 -108643.1804 300.3713 -160908.8071 -108278.4982 300.3349 34.0734 65.5347 763454.1289 -4.7574 -4.7776 PRESSURE: 789600 -233.772 103.404 -66.504 103.404 9.93775 39.9637 -66.5038 39.9631 -416.532 GPRESSURE: 789600 -163.728 197.713 -41.0028 -3.35356 -27.1698 103.28 71.0738 43.2968 -381.439 PRESSAVG: 789600 -5.95378 -25.6217 -39.919 -25.6216 12.6712 -49.723 -39.919 -49.723 2.6719 GPRESSAVG: 789600 -3.60707 -27.0079 -38.9502 -27.6577 12.6324 -49.0757 -38.5193 -51.1658 0.269029 TIMING: 789600 CPU: 2460.97, 0.00310444/step Wall: 2460.97, 0.00310444/step, 3.63081 hours remaining, 235.121094 MB of memory in use. ENERGY: 789600 3994.6988 20557.9738 14420.0760 258.1742 -202351.9148 2546.8552 0.0000 0.0000 51938.4865 -108635.6503 298.4912 -160574.1368 -108278.8123 300.0301 -213.4553 -190.7789 765727.4361 3.1298 3.0981 PRESSURE: 789800 122.993 5.37882 269.548 5.37916 -244.06 143.972 269.548 143.972 -159.729 GPRESSURE: 789800 101.962 33.8445 229.61 19.0024 -111.377 65.6044 347.734 155.318 -197.311 PRESSAVG: 789800 29.0209 47.9368 -22.4894 47.9368 12.2735 48.5307 -22.4895 48.5307 6.57429 GPRESSAVG: 789800 26.5114 48.3149 -22.5009 46.9138 12.4993 46.5333 -23.2528 51.1279 8.02011 TIMING: 789800 CPU: 2461.6, 0.00312317/step Wall: 2461.6, 0.00312317/step, 3.65254 hours remaining, 235.121094 MB of memory in use. ENERGY: 789800 4032.6481 20438.2215 14475.7427 257.2181 -202472.6528 2500.8147 0.0000 0.0000 51887.8963 -108880.1115 298.2005 -160768.0077 -108510.8333 299.4550 -93.5986 -68.9086 763838.5137 15.9562 15.6769 PRESSURE: 790000 -141.272 -85.6001 -305.219 -85.6005 -218.448 25.8267 -305.219 25.8271 19.5625 GPRESSURE: 790000 -183.016 18.5066 -319.587 -21.4866 -150.152 -4.77951 -185.036 76.9674 88.2577 PRESSAVG: 790000 2.31348 -3.26528 26.0909 -3.26522 12.3212 17.0297 26.0909 17.0297 -1.96665 GPRESSAVG: 790000 1.97206 -1.14742 26.5642 -2.51947 11.6954 18.3264 29.2245 14.2371 -1.79332 TIMING: 790000 CPU: 2462.22, 0.00311115/step Wall: 2462.22, 0.00311115/step, 3.63832 hours remaining, 235.121094 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: 790000 3952.8132 20462.6467 14445.9187 259.9952 -202844.5359 2596.8165 0.0000 0.0000 52157.9261 -108968.4194 299.7523 -161126.3455 -108598.6942 298.9034 -113.3859 -81.6366 763195.9351 4.2227 3.9581 PRESSURE: 790200 201.693 -132.014 157.117 -132.014 106.312 -117.61 157.118 -117.608 231.554 GPRESSURE: 790200 148.804 -179.968 9.96876 106.18 185.991 -120.979 -55.1365 -91.2613 280.68 PRESSAVG: 790200 -37.1444 22.6812 -12.026 22.6812 53.8734 -3.85334 -12.026 -3.85336 -11.4731 GPRESSAVG: 790200 -36.4287 20.4295 -14.4909 25.4707 51.8494 -4.80779 -15.8357 -2.60249 -10.2066 TIMING: 790200 CPU: 2462.84, 0.00311945/step Wall: 2462.84, 0.00311945/step, 3.64785 hours remaining, 235.121094 MB of memory in use. ENERGY: 790200 3914.4622 20474.9930 14391.3165 227.8315 -202570.1501 2607.0592 0.0000 0.0000 51977.6547 -108976.8329 298.7163 -160954.4876 -108613.2188 298.9291 179.8531 205.1580 762918.9015 1.7520 1.7380 PRESSURE: 790400 -137.378 -3.52397 -186.227 -3.52308 157.676 56.192 -186.227 56.1909 -23.2674 GPRESSURE: 790400 -120.381 68.4181 -199.935 -53.8021 238.554 41.0229 -158.785 139.54 -24.9582 PRESSAVG: 790400 -2.06831 7.08905 -68.5055 7.08912 28.2255 61.1624 -68.5054 61.1625 3.21753 GPRESSAVG: 790400 -2.51748 8.07035 -66.2647 5.17334 29.798 59.9253 -69.3818 63.2346 2.31216 TIMING: 790400 CPU: 2463.46, 0.0031076/step Wall: 2463.46, 0.0031076/step, 3.63382 hours remaining, 235.121094 MB of memory in use. ENERGY: 790400 3974.0670 20550.7939 14428.3706 248.6298 -202922.7893 2788.4696 0.0000 0.0000 52204.9810 -108727.4774 300.0227 -160932.4585 -108358.6317 299.3622 -0.9896 31.0716 764465.3177 9.7916 9.8642 PRESSURE: 790600 -139.867 -5.14275 78.5221 -5.14306 105.711 278.704 78.522 278.703 -488.813 GPRESSURE: 790600 -108.592 89.6971 171.934 55.6578 174.195 225.063 63.753 106.208 -505.088 PRESSAVG: 790600 17.0342 -34.8359 -29.0128 -34.8359 -6.67442 70.105 -29.0127 70.1049 17.9614 GPRESSAVG: 790600 17.8693 -37.317 -28.3079 -34.6586 -7.66083 71.4067 -28.0482 67.665 17.8801 TIMING: 790600 CPU: 2464.09, 0.00312244/step Wall: 2464.09, 0.00312244/step, 3.651 hours remaining, 235.121094 MB of memory in use. ENERGY: 790600 3916.3954 20570.9973 14380.8753 242.1078 -202416.2186 2551.8687 0.0000 0.0000 52091.0487 -108662.9255 299.3680 -160753.9741 -108308.8837 300.2444 -174.3232 -146.4951 765242.9684 9.4404 9.3628 PRESSURE: 790800 143.046 71.4429 25.2181 71.443 335.779 71.1786 25.2182 71.1792 89.6178 GPRESSURE: 790800 231.731 -121.293 73.2572 74.7786 338.758 107.81 -29.3171 80.2487 66.5223 PRESSAVG: 790800 -14.3936 28.6723 -7.56141 28.6723 17.9437 22.248 -7.56142 22.248 12.3134 GPRESSAVG: 790800 -14.6764 30.3701 -9.13936 28.9155 18.427 22.6612 -7.88163 22.5273 11.9333 TIMING: 790800 CPU: 2464.71, 0.00312121/step Wall: 2464.71, 0.00312121/step, 3.64939 hours remaining, 235.121094 MB of memory in use. ENERGY: 790800 3951.4304 20355.5284 14461.2980 257.0022 -202678.6994 2714.2695 0.0000 0.0000 52321.7084 -108617.4626 300.6936 -160939.1709 -108240.5665 299.6502 189.4808 212.3371 764555.4053 5.2878 5.2280 PRESSURE: 791000 -97.0823 -122.711 -22.8937 -122.712 107.875 -35.2862 -22.8938 -35.2865 -137.499 GPRESSURE: 791000 -18.3677 -127.354 -18.4771 -1.83374 77.0466 -74.2303 -46.5182 -102.091 -117.489 PRESSAVG: 791000 -13.3442 7.21537 -10.644 7.21534 0.312022 25.3281 -10.6439 25.3281 1.9049 GPRESSAVG: 791000 -12.417 6.29166 -10.0373 7.99924 -0.279427 25.1348 -10.9563 27.7517 2.06379 TIMING: 791000 CPU: 2465.34, 0.00313578/step Wall: 2465.34, 0.00313578/step, 3.66624 hours remaining, 235.121094 MB of memory in use. ENERGY: 791000 4023.7718 20430.5189 14487.7374 257.6673 -202537.0192 2528.6281 0.0000 0.0000 52060.2459 -108748.4497 299.1909 -160808.6956 -108384.0955 299.5570 -42.2356 -19.6033 763712.0649 -3.7091 -3.5442 PRESSURE: 791200 -114.428 64.1904 -141.912 64.1903 58.2153 124.423 -141.913 124.423 -600.419 GPRESSURE: 791200 -166.777 45.0621 -239.073 -24.9171 40.9425 73.077 -147.872 65.7825 -453.509 PRESSAVG: 791200 -9.87835 4.26544 -27.9512 4.26541 -43.2381 -25.0651 -27.9512 -25.0651 5.7369 GPRESSAVG: 791200 -10.447 6.06226 -29.2464 1.30301 -43.0105 -25.6014 -27.5669 -25.6073 5.9633 TIMING: 791200 CPU: 2465.97, 0.00313004/step Wall: 2465.97, 0.00313004/step, 3.65937 hours remaining, 235.121094 MB of memory in use. ENERGY: 791200 4021.6680 20305.6012 14428.7569 251.7023 -203046.0924 2970.3599 0.0000 0.0000 52242.7664 -108825.2378 300.2399 -161068.0042 -108442.2225 299.6714 -218.8773 -193.1145 766238.5678 -15.7932 -15.8314 PRESSURE: 791400 -72.1004 16.3309 -36.5672 16.3312 49.1923 -217.069 -36.5668 -217.069 229.126 GPRESSURE: 791400 -70.8451 -42.39 27.4967 90.0745 102.263 -179.407 13.7229 -198.979 256.226 PRESSAVG: 791400 -22.3368 -8.58573 -19.1896 -8.58568 -5.58031 29.5261 -19.1896 29.526 -26.4981 GPRESSAVG: 791400 -22.4634 -8.71707 -18.3962 -5.70994 -4.50768 29.1113 -18.3643 30.4947 -27.6758 TIMING: 791400 CPU: 2466.59, 0.00311648/step Wall: 2466.59, 0.00311648/step, 3.64334 hours remaining, 235.121094 MB of memory in use. ENERGY: 791400 3945.0449 20603.2418 14422.5672 240.3819 -203124.6721 2939.0078 0.0000 0.0000 51834.8338 -109139.5946 297.8955 -160974.4284 -108788.3058 298.9512 68.7392 95.8813 764021.9470 -18.1384 -18.2156 PRESSURE: 791600 -260.546 -116.183 -46.9104 -116.184 9.74653 -339.824 -46.9104 -339.824 35.1666 GPRESSURE: 791600 -251.973 -105.568 78.1517 48.9005 75.2319 -349.113 -86.4341 -240.053 45.5709 PRESSAVG: 791600 -34.5926 -34.2279 6.26018 -34.2278 73.5278 18.8539 6.26014 18.8539 11.0762 GPRESSAVG: 791600 -33.9715 -33.8359 6.96059 -35.4373 72.4105 19.6158 6.47473 18.5564 11.5164 TIMING: 791600 CPU: 2467.21, 0.00311059/step Wall: 2467.21, 0.00311059/step, 3.63628 hours remaining, 235.121094 MB of memory in use. ENERGY: 791600 4016.4833 20373.8601 14476.0739 249.8439 -203221.7876 2919.3248 0.0000 0.0000 52185.9954 -109000.2062 299.9136 -161186.2016 -108634.8965 298.7997 -71.8775 -43.7234 765454.8987 16.6705 16.6518 PRESSURE: 791800 -107.383 -169.736 155.809 -169.737 133.304 15.6366 155.809 15.6361 164.023 GPRESSURE: 791800 -45.8513 -105.984 104.761 -173.839 121.138 -36.4452 78.0982 35.2097 198.644 PRESSAVG: 791800 -9.68592 -36.6817 -6.0852 -36.6818 -0.362861 -23.7895 -6.08525 -23.7895 8.17134 GPRESSAVG: 791800 -10.416 -38.831 -8.60118 -36.4287 0.404048 -24.4879 -5.67392 -25.2851 8.09237 TIMING: 791800 CPU: 2467.83, 0.00311616/step Wall: 2467.83, 0.00311616/step, 3.64262 hours remaining, 235.121094 MB of memory in use. ENERGY: 791800 3911.7017 20495.6776 14462.4488 261.3058 -203566.2790 3105.2195 0.0000 0.0000 52209.2961 -109120.6295 300.0475 -161329.9256 -108750.3070 298.7872 63.3146 91.3102 764043.6018 -0.6258 -0.6399 PRESSURE: 792000 -126.35 16.1277 -249.564 16.1276 328.39 71.4401 -249.564 71.4403 141.419 GPRESSURE: 792000 -38.8438 -58.1447 -220.406 -83.1884 328.194 75.9992 -245.441 120.933 133.765 PRESSAVG: 792000 95.3045 13.096 -8.56479 13.096 -34.4082 -26.5838 -8.56478 -26.5839 0.705537 GPRESSAVG: 792000 95.0955 13.3981 -6.13531 13.8835 -34.5448 -27.319 -10.5693 -25.1375 1.1391 TIMING: 792000 CPU: 2468.46, 0.0031072/step Wall: 2468.46, 0.0031072/step, 3.63198 hours remaining, 235.121094 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: 792000 4040.0791 20662.2355 14456.6751 239.9468 -203140.1616 2813.5165 0.0000 0.0000 51958.6061 -108969.1025 298.6068 -160927.7086 -108611.0167 298.9263 114.4865 141.0385 763159.5561 20.5339 20.5633 PRESSURE: 792200 -447.103 384.546 -15.1508 384.546 -465.111 -312.207 -15.1519 -312.207 -196.698 GPRESSURE: 792200 -433.029 269.663 18.581 232.654 -375.2 -360.291 138.868 -177.785 -218.136 PRESSAVG: 792200 44.1919 39.2645 -7.87469 39.2645 -36.4299 -15.876 -7.87466 -15.8759 8.30401 GPRESSAVG: 792200 43.2527 41.3531 -10.3959 38.1991 -36.4544 -13.5046 -4.43613 -16.5229 8.92816 TIMING: 792200 CPU: 2469.08, 0.00310711/step Wall: 2469.08, 0.00310711/step, 3.6317 hours remaining, 235.121094 MB of memory in use. ENERGY: 792200 4010.3381 20620.3022 14551.8231 236.3869 -202864.6016 2422.4764 0.0000 0.0000 52294.6427 -108728.6321 300.5380 -161023.2748 -108361.2329 299.6137 -369.6371 -342.1216 763911.2828 5.3553 5.2421 LDB: ============= START OF LOAD BALANCING ============== 2481.55 LDB: ============== END OF LOAD BALANCING =============== 2481.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2481.56 LDB: ============= START OF LOAD BALANCING ============== 2481.87 LDB: Largest compute 6972 load 0.031715 is 16.3% of average load 0.195009 LDB: Average compute 0.004402 is 2.3% of average load 0.195009 LDB: TIME 2481.87 LOAD: AVG 0.195009 MAX 0.219371 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.051 MB LDB: TIME 2481.87 LOAD: AVG 0.195009 MAX 0.219371 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.145 MB LDB: TIME 2481.87 LOAD: AVG 0.195009 MAX 0.216009 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.145 MB LDB: ============== END OF LOAD BALANCING =============== 2481.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2481.88 PRESSURE: 792400 -66.8521 -132.853 -62.6688 -132.853 -324.964 194.58 -62.6699 194.581 29.7549 GPRESSURE: 792400 -69.6687 -90.3295 -120.536 -94.6793 -269.323 131.496 -130.957 235.795 70.8006 PRESSAVG: 792400 20.0577 -16.6941 -46.458 -16.6941 -1.20885 -22.105 -46.458 -22.105 -2.52044 GPRESSAVG: 792400 20.5336 -17.5675 -46.5387 -15.6452 0.518364 -23.3244 -49.5256 -21.5083 -4.20585 TIMING: 792400 CPU: 2469.72, 0.00319261/step Wall: 2469.72, 0.00319261/step, 3.73145 hours remaining, 232.828125 MB of memory in use. ENERGY: 792400 3965.0539 20459.9866 14507.6490 240.4904 -203020.4760 2768.0737 0.0000 0.0000 52332.1928 -108747.0296 300.7538 -161079.2224 -108371.2803 299.5501 -120.6872 -89.3972 763005.1808 5.4428 5.6154 PRESSURE: 792600 109.776 -97.2926 -145.782 -97.2928 389.464 49.5237 -145.783 49.5231 199.798 GPRESSURE: 792600 201.045 -64.2748 -109.106 -164.83 290.747 7.46401 -53.7091 119.242 317.34 PRESSAVG: 792600 40.6944 2.73151 26.0974 2.73157 3.57933 27.5186 26.0973 27.5186 23.9854 GPRESSAVG: 792600 40.9752 2.41246 27.6662 2.90728 1.09752 27.5833 28.3412 26.9947 26.0798 TIMING: 792600 CPU: 2470.34, 0.00311399/step Wall: 2470.34, 0.00311399/step, 3.63939 hours remaining, 232.828125 MB of memory in use. ENERGY: 792600 3964.0902 20545.8855 14473.2450 244.0877 -202608.4427 2774.6470 0.0000 0.0000 51913.6855 -108692.8018 298.3487 -160606.4873 -108321.3392 299.6592 233.0125 269.7107 762746.3042 22.7531 22.7175 PRESSURE: 792800 67.8779 121.086 -3.14273 121.084 -28.0454 27.464 -3.14311 27.4636 98.2315 GPRESSURE: 792800 78.1982 144.408 -14.0944 129.281 22.7447 -106.516 23.7294 -133.127 116.173 PRESSAVG: 792800 99.6391 12.8381 19.5589 12.838 -84.7018 -28.2253 19.5589 -28.2253 1.7744 GPRESSAVG: 792800 99.148 14.6852 17.8214 10.8793 -83.6818 -28.4888 20.4508 -29.0889 1.79246 TIMING: 792800 CPU: 2470.96, 0.00312061/step Wall: 2470.96, 0.00312061/step, 3.64695 hours remaining, 232.828125 MB of memory in use. ENERGY: 792800 4025.0807 20486.5383 14418.5176 256.3427 -202458.9698 2504.9265 0.0000 0.0000 52142.0348 -108625.5292 299.6610 -160767.5640 -108256.8835 299.6068 46.0213 72.3719 765378.5625 5.5706 5.7529 PRESSURE: 793000 95.4685 22.6778 -52.2302 22.6777 -71.8494 72.4565 -52.2308 72.4566 283.231 GPRESSURE: 793000 129.021 63.6798 -91.6183 45.1337 -56.4329 72.0908 29.2951 106.212 315.908 PRESSAVG: 793000 -21.1772 25.4591 33.1853 25.459 -48.2304 21.569 33.1854 21.5689 0.0813906 GPRESSAVG: 793000 -20.5472 23.6015 34.3259 27.7239 -48.1269 22.3715 31.8743 22.2612 -0.699567 TIMING: 793000 CPU: 2471.59, 0.00312821/step Wall: 2471.59, 0.00312821/step, 3.65566 hours remaining, 232.828125 MB of memory in use. ENERGY: 793000 4047.9786 20640.8437 14496.6669 254.0374 -203055.3527 2886.0875 0.0000 0.0000 51983.7030 -108746.0357 298.7511 -160729.7388 -108384.0696 299.8139 102.2832 129.4988 763167.5802 -23.1087 -23.1246 PRESSURE: 793200 18.3945 -129.495 -33.9314 -129.494 88.7234 23.6357 -33.9311 23.6356 -132.894 GPRESSURE: 793200 9.39092 10.9836 -123.558 -285.416 106.89 -50.3914 12.3115 -2.68744 -75.7869 PRESSAVG: 793200 35.3687 -20.8827 10.0255 -20.8827 -1.60627 -66.6337 10.0254 -66.6336 28.6923 GPRESSAVG: 793200 35.5108 -20.4408 8.47193 -21.1803 -2.32294 -67.1656 8.83446 -65.9718 29.2872 TIMING: 793200 CPU: 2472.21, 0.00311595/step Wall: 2472.21, 0.00311595/step, 3.64116 hours remaining, 232.828125 MB of memory in use. ENERGY: 793200 4043.2714 20631.4343 14515.6558 246.4305 -203143.6445 2809.1667 0.0000 0.0000 52167.2549 -108730.4309 299.8059 -160897.6858 -108368.6008 299.6006 -8.5920 13.4979 763571.4819 20.8182 20.8250 PRESSURE: 793400 -273.274 -139.609 -17.2455 -139.611 -238.336 49.9499 -17.2451 49.9501 -241.694 GPRESSURE: 793400 -313.576 -98.9053 9.9346 -131.499 -144.628 62.8761 -101.512 -65.8519 -200.092 PRESSAVG: 793400 7.28831 -11.1977 -32.4947 -11.1977 17.1027 -68.252 -32.4947 -68.252 -4.98387 GPRESSAVG: 793400 7.26022 -11.8026 -30.4518 -13.3534 18.4043 -68.6963 -31.8919 -68.4432 -5.7552 TIMING: 793400 CPU: 2472.83, 0.00309365/step Wall: 2472.83, 0.00309365/step, 3.61493 hours remaining, 232.828125 MB of memory in use. ENERGY: 793400 4019.5217 20643.7446 14560.7182 239.1607 -203400.8380 2849.6827 0.0000 0.0000 52131.6199 -108956.3901 299.6011 -161088.0100 -108592.2903 299.5653 -251.1012 -219.4318 763440.1295 6.4690 6.6364 PRESSURE: 793600 29.7207 -24.5967 -129.06 -24.5959 -504.916 -42.0084 -129.061 -42.0092 -65.1945 GPRESSURE: 793600 52.7835 -34.3958 -11.164 85.3228 -430.695 41.2321 -162.91 26.0938 -93.8727 PRESSAVG: 793600 -28.2527 11.3965 5.08566 11.3965 55.4227 -43.1941 5.08558 -43.194 10.3244 GPRESSAVG: 793600 -29.7851 9.19067 3.41099 14.0424 55.4783 -43.6951 4.93878 -42.084 11.5013 TIMING: 793600 CPU: 2473.45, 0.00310996/step Wall: 2473.45, 0.00310996/step, 3.63381 hours remaining, 232.828125 MB of memory in use. ENERGY: 793600 4050.3393 20563.5592 14576.3258 253.1500 -202893.3187 2797.5611 0.0000 0.0000 52030.8817 -108621.5016 299.0222 -160652.3833 -108268.0025 299.4338 -180.1300 -157.2614 765344.3448 12.4982 12.3982 PRESSURE: 793800 -135.285 16.7167 -242.623 16.7165 21.5111 -115.833 -242.622 -115.833 -133.311 GPRESSURE: 793800 -187.436 -41.0181 -171.309 27.2524 83.1803 -111.81 -187.864 -80.3769 -66.6687 PRESSAVG: 793800 69.6396 23.8049 -35.4318 23.8049 -24.5467 3.27524 -35.4319 3.27515 -5.7012 GPRESSAVG: 793800 70.0488 26.6783 -33.6572 21.9149 -23.3437 4.97842 -36.6141 2.71549 -7.38139 TIMING: 793800 CPU: 2474.08, 0.0031212/step Wall: 2474.08, 0.0031212/step, 3.64678 hours remaining, 232.828125 MB of memory in use. ENERGY: 793800 3904.6547 20591.5719 14534.1300 250.2688 -202861.0506 2688.8379 0.0000 0.0000 52145.0200 -108746.5673 299.6781 -160891.5873 -108384.5984 299.3979 -82.3618 -56.9749 764245.4254 13.1306 13.1079 PRESSURE: 794000 -221.175 -90.9312 160.397 -90.931 59.4838 33.5329 160.396 33.5339 131.661 GPRESSURE: 794000 -180.256 -100.25 283.301 -113.845 22.8804 13.7312 62.0091 58.5479 212.465 PRESSAVG: 794000 -18.492 -5.43277 -47.1128 -5.43277 30.6545 -27.3376 -47.1128 -27.3375 3.97516 GPRESSAVG: 794000 -17.6503 -5.93468 -47.7488 -3.8772 30.0084 -27.8528 -45.1747 -25.9053 3.92854 TIMING: 794000 CPU: 2474.7, 0.00312069/step Wall: 2474.7, 0.00312069/step, 3.646 hours remaining, 232.828125 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: 794000 4042.3884 20476.8866 14537.6001 278.6968 -203083.6721 2869.1691 0.0000 0.0000 52266.9369 -108611.9941 300.3788 -160878.9310 -108259.7662 299.6012 -10.0100 18.3631 763044.3088 5.3792 5.4289 PRESSURE: 794200 -215.089 88.479 122.913 88.4784 -198.399 -165.661 122.912 -165.661 -257.435 GPRESSURE: 794200 -141.015 58.6491 164.075 61.0972 -104.782 -147.63 35.7796 -180.406 -327.7 PRESSAVG: 794200 39.5895 -43.33 33.2879 -43.33 -71.4522 -44.8256 33.288 -44.8255 4.57384 GPRESSAVG: 794200 41.1509 -42.8539 32.8633 -44.0477 -72.4692 -44.6406 30.5864 -46.2839 4.67274 TIMING: 794200 CPU: 2475.32, 0.00310414/step Wall: 2475.32, 0.00310414/step, 3.6265 hours remaining, 232.828125 MB of memory in use. ENERGY: 794200 4137.8570 20713.8346 14484.7489 249.1736 -202601.7765 2557.8701 0.0000 0.0000 52012.6728 -108445.6195 298.9175 -160458.2923 -108086.6322 299.8161 -223.6410 -191.1655 762434.6122 -9.0963 -8.8818 PRESSURE: 794400 165.721 51.796 60.3163 51.796 -183.634 -186.145 60.3169 -186.146 -90.3273 GPRESSURE: 794400 102.95 121.798 -23.6735 -68.6849 -110.801 -168.593 85.9009 -84.9146 -3.44901 PRESSAVG: 794400 -23.3717 -29.3104 -44.4504 -29.3104 27.1707 -63.9772 -44.4504 -63.9773 2.60581 GPRESSAVG: 794400 -24.8181 -28.6899 -45.1552 -29.7235 28.7199 -64.6965 -42.4035 -63.1794 2.39476 TIMING: 794400 CPU: 2475.94, 0.00310555/step Wall: 2475.94, 0.00310555/step, 3.62798 hours remaining, 232.828125 MB of memory in use. ENERGY: 794400 3943.5658 20732.5422 14502.1144 250.7753 -202647.9965 2587.7952 0.0000 0.0000 52215.4892 -108415.7143 300.0831 -160631.2036 -108049.4632 300.1721 -36.0801 -3.7664 763223.5736 2.1349 2.0989 PRESSURE: 794600 -87.9211 4.30783 -5.87491 4.30772 -58.1828 89.3393 -5.87462 89.3395 -18.9454 GPRESSURE: 794600 -70.318 -40.6074 -8.51705 98.8942 3.20541 126.132 4.896 185.77 -7.9981 PRESSAVG: 794600 0.844278 -25.9303 -5.58956 -25.9303 -4.16172 -39.4622 -5.58958 -39.4622 8.69973 GPRESSAVG: 794600 0.798705 -28.3283 -4.99552 -24.8131 -4.84828 -39.1089 -4.24559 -39.3204 9.68507 TIMING: 794600 CPU: 2476.56, 0.00310366/step Wall: 2476.56, 0.00310366/step, 3.62559 hours remaining, 232.828125 MB of memory in use. ENERGY: 794600 3896.6303 20617.5076 14520.8486 249.6430 -203400.2733 3112.3822 0.0000 0.0000 52659.8225 -108343.4392 302.6367 -161003.2616 -107975.3376 300.3750 -55.0164 -25.0369 764366.3621 1.7941 1.8785 PRESSURE: 794800 121.564 -130.734 -268.897 -130.734 -11.6334 -81.4555 -268.898 -81.4556 -85.1732 GPRESSURE: 794800 178.506 -168.956 -295.24 -98.2353 -9.35062 -118.277 -101.04 -119.122 -83.0146 PRESSAVG: 794800 -4.50971 -8.54403 28.2874 -8.54408 38.9451 -33.52 28.2872 -33.52 -6.24281 GPRESSAVG: 794800 -4.41521 -7.1182 26.7701 -6.90736 39.3277 -32.5213 28.0962 -35.6613 -6.9191 TIMING: 794800 CPU: 2477.18, 0.00310604/step Wall: 2477.18, 0.00310604/step, 3.6282 hours remaining, 232.828125 MB of memory in use. ENERGY: 794800 3957.7477 20483.9093 14475.9852 254.5995 -203065.0803 3035.2142 0.0000 0.0000 52385.3610 -108472.2635 301.0594 -160857.6245 -108106.0787 300.0981 8.2523 28.7134 767207.2139 9.3975 9.3311 PRESSURE: 795000 436.528 114.237 -79.1631 114.238 110.564 -180.918 -79.1629 -180.92 -69.5348 GPRESSURE: 795000 460.074 104.636 -116.877 87.0401 144.778 -155.498 -82.4598 -199.023 -45.7686 PRESSAVG: 795000 34.6327 19.359 51.8417 19.3591 -70.6704 -56.6169 51.8418 -56.6169 2.76567 GPRESSAVG: 795000 35.1176 17.3227 52.3491 18.5012 -70.8072 -57.2158 52.2573 -53.9168 2.83195 TIMING: 795000 CPU: 2477.8, 0.0031016/step Wall: 2477.8, 0.0031016/step, 3.62284 hours remaining, 232.828125 MB of memory in use. ENERGY: 795000 3964.7433 20493.8077 14534.9813 246.5318 -203492.8883 3265.1248 0.0000 0.0000 52397.5028 -108590.1967 301.1292 -160987.6994 -108230.9138 299.9637 159.1858 186.3614 763876.5130 -11.0907 -10.9526 PRESSURE: 795200 119.387 -29.3778 -79.9072 -29.3788 84.7537 -69.9483 -79.9071 -69.9485 22.1665 GPRESSURE: 795200 194.791 -22.1628 -98.5794 4.09291 98.0172 -18.3242 -44.3867 -7.84602 26.3829 PRESSAVG: 795200 64.6582 25.0322 26.1184 25.0321 -100.426 -16.5033 26.1185 -16.5033 -21.2297 GPRESSAVG: 795200 64.1339 27.7966 26.025 24.8417 -100.774 -17.3614 24.2455 -15.4488 -20.9263 TIMING: 795200 CPU: 2478.43, 0.00312035/step Wall: 2478.43, 0.00312035/step, 3.64457 hours remaining, 232.828125 MB of memory in use. ENERGY: 795200 4008.6375 20313.4530 14487.4208 237.3997 -202904.5601 3093.5404 0.0000 0.0000 52061.8707 -108702.2379 299.2003 -160764.1086 -108335.9678 299.7207 75.4356 106.3970 765592.3185 -18.9990 -19.1887 PRESSURE: 795400 -397.171 -47.3532 94.8436 -47.3536 -382.133 182.231 94.8437 182.23 -385.603 GPRESSURE: 795400 -328.448 5.23831 118.502 -71.9633 -335.066 30.1823 137.986 129.039 -408.193 PRESSAVG: 795400 -49.8748 -15.3987 -35.3276 -15.3987 44.7844 9.27147 -35.3276 9.27141 6.04858 GPRESSAVG: 795400 -48.9792 -16.7123 -34.0223 -16.6176 44.5192 9.23129 -36.873 7.36573 5.37012 TIMING: 795400 CPU: 2479.05, 0.00311618/step Wall: 2479.05, 0.00311618/step, 3.63952 hours remaining, 232.828125 MB of memory in use. ENERGY: 795400 4079.2753 20375.3356 14462.9429 249.6877 -202711.3543 2691.6289 0.0000 0.0000 52210.5713 -108641.9127 300.0549 -160852.4840 -108277.2917 299.1198 -388.3023 -357.2355 765657.4641 0.3194 0.3034 PRESSURE: 795600 -49.8823 -87.4759 -284.253 -87.4753 -165.704 -86.9873 -284.254 -86.987 -189.092 GPRESSURE: 795600 -6.89072 -95.3208 -279.014 -62.6993 -208.594 -53.7319 -191.18 -97.5788 -123.417 PRESSAVG: 795600 18.4323 -40.6729 33.9623 -40.6729 6.28828 7.42343 33.9623 7.42344 16.6747 GPRESSAVG: 795600 18.2653 -42.5924 33.0336 -38.4018 5.6261 7.54529 34.6955 7.0529 17.5447 TIMING: 795600 CPU: 2479.68, 0.00312309/step Wall: 2479.68, 0.00312309/step, 3.64742 hours remaining, 232.828125 MB of memory in use. ENERGY: 795600 4031.0575 20616.4924 14518.8533 238.3136 -202921.2766 2807.0628 0.0000 0.0000 52070.9229 -108638.5742 299.2523 -160709.4970 -108283.1935 299.5111 -134.8926 -112.9672 764993.5929 13.7984 13.8121 PRESSURE: 795800 -189.968 -68.4242 61.9478 -68.4232 235.584 -17.5709 61.947 -17.5705 -115.165 GPRESSURE: 795800 -130.763 -79.3009 34.5867 -81.0417 263.488 25.2999 4.46283 -22.8481 -98.8073 PRESSAVG: 795800 -3.72111 -31.366 75.3291 -31.3661 -9.33226 -16.585 75.3291 -16.585 -2.72003 GPRESSAVG: 795800 -4.51357 -28.2263 75.8328 -32.9928 -8.09778 -17.4507 74.4669 -14.2162 -2.68038 TIMING: 795800 CPU: 2480.3, 0.00311419/step Wall: 2480.3, 0.00311419/step, 3.63685 hours remaining, 232.828125 MB of memory in use. ENERGY: 795800 3946.9172 20700.1852 14594.0911 245.1988 -203349.3234 2922.9482 0.0000 0.0000 52326.6218 -108613.3611 300.7218 -160939.9829 -108259.3971 300.5355 -23.1828 11.3061 764849.4644 -5.2578 -5.0972 PRESSURE: 796000 -225.19 69.6978 -170.883 69.6974 -125.283 -33.6912 -170.884 -33.6913 13.9805 GPRESSURE: 796000 -233.79 165.452 -87.8719 129.613 -100.583 -46.738 -197.619 17.7461 84.8046 PRESSAVG: 796000 -14.2651 -7.67659 6.16427 -7.67669 -16.6636 44.2115 6.16429 44.2115 -1.14057 GPRESSAVG: 796000 -13.6933 -9.60484 6.19798 -6.68543 -16.4021 45.7234 5.62156 42.4015 -1.57199 TIMING: 796000 CPU: 2480.92, 0.00310858/step Wall: 2480.92, 0.00310858/step, 3.63013 hours remaining, 232.828125 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: 796000 4057.4707 20576.5957 14418.3582 242.7332 -202647.7382 2627.9078 0.0000 0.0000 52142.8002 -108581.8725 299.6654 -160724.6726 -108212.6925 300.1489 -112.1642 -83.1895 765305.5383 -10.6898 -10.5558 PRESSURE: 796200 -14.982 18.6946 -15.059 18.6941 60.8773 -271.544 -15.0591 -271.543 -433.566 GPRESSURE: 796200 25.7637 -53.9216 31.494 -22.4365 58.6847 -295.778 -90.4312 -219.333 -387.908 PRESSAVG: 796200 -24.8551 -6.72791 -35.2982 -6.72795 26.0424 -58.7806 -35.2982 -58.7805 -11.3253 GPRESSAVG: 796200 -24.9322 -5.33871 -37.0813 -9.56221 25.3409 -57.9199 -32.8233 -59.0503 -10.4259 TIMING: 796200 CPU: 2481.54, 0.00311442/step Wall: 2481.54, 0.00311442/step, 3.63678 hours remaining, 232.828125 MB of memory in use. ENERGY: 796200 4054.8278 20606.4885 14422.9016 232.5916 -202383.3395 2614.3119 0.0000 0.0000 51973.3252 -108478.8929 298.6914 -160452.2182 -108124.7596 300.1182 -129.2236 -101.1531 764075.7759 -3.3794 -3.3391 LDB: ============= START OF LOAD BALANCING ============== 2494.02 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2494.02 LDB: =============== DONE WITH MIGRATION ================ 2494.02 LDB: ============= START OF LOAD BALANCING ============== 2494.34 LDB: Largest compute 6972 load 0.032554 is 16.7% of average load 0.195053 LDB: Average compute 0.004402 is 2.3% of average load 0.195053 LDB: TIME 2494.34 LOAD: AVG 0.195053 MAX 0.216611 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.113 MB LDB: TIME 2494.34 LOAD: AVG 0.195053 MAX 0.216611 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.113 MB LDB: TIME 2494.34 LOAD: AVG 0.195053 MAX 0.216611 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.113 MB LDB: ============== END OF LOAD BALANCING =============== 2494.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2494.35 PRESSURE: 796400 12.7389 212.467 99.1775 212.467 -103.94 -48.7214 99.178 -48.7218 26.6426 GPRESSURE: 796400 96.8537 78.8235 100.151 168.464 -130.549 -92.6502 75.2615 3.4278 66.3445 PRESSAVG: 796400 5.42763 22.1338 0.00751205 22.1339 -32.909 -21.0129 0.00751407 -21.0128 -2.30449 GPRESSAVG: 796400 5.09461 21.8723 0.832956 23.7545 -31.7187 -21.4567 -1.15445 -20.6526 -3.23881 TIMING: 796400 CPU: 2482.18, 0.00318424/step Wall: 2482.18, 0.00318424/step, 3.71814 hours remaining, 234.824219 MB of memory in use. ENERGY: 796400 3986.9019 20381.2521 14515.1723 241.0961 -203055.8328 2981.5126 0.0000 0.0000 52294.4742 -108655.4236 300.5371 -160949.8978 -108293.3914 299.7789 -21.5196 10.8831 764984.2362 -9.9286 -9.9543 PRESSURE: 796600 324.31 337.559 -217.358 337.557 156.251 -154.976 -217.358 -154.976 163.159 GPRESSURE: 796600 392.774 326.018 -181.037 296.944 202.91 -74.9489 -195.344 -210.287 136.769 PRESSAVG: 796600 25.9991 1.31532 -47.4144 1.31533 -13.4499 9.3439 -47.4143 9.34388 25.8323 GPRESSAVG: 796600 26.0979 2.62075 -46.8989 1.49089 -14.055 9.40486 -47.5652 9.95659 26.2337 TIMING: 796600 CPU: 2482.8, 0.00309933/step Wall: 2482.8, 0.00309933/step, 3.61881 hours remaining, 234.824219 MB of memory in use. ENERGY: 796600 3961.9221 20393.7000 14504.8308 241.2451 -202620.5986 2729.1978 0.0000 0.0000 52120.4059 -108669.2969 299.5367 -160789.7028 -108304.2441 299.2561 214.5731 244.1508 764155.4508 12.7938 12.7588 PRESSURE: 796800 267.238 30.2446 147.466 30.2441 -66.1301 -130.214 147.465 -130.215 390.881 GPRESSURE: 796800 258.042 149.209 94.7567 -49.5598 49.3452 -98.93 133.378 -241.531 358.203 PRESSAVG: 796800 -31.2773 7.26261 3.95674 7.26262 22.7725 -40.0542 3.95666 -40.0541 8.43515 GPRESSAVG: 796800 -31.1982 5.85244 2.16775 8.21689 22.7101 -41.3531 3.80137 -40.9771 8.23732 TIMING: 796800 CPU: 2483.42, 0.00310065/step Wall: 2483.42, 0.00310065/step, 3.62018 hours remaining, 234.824219 MB of memory in use. ENERGY: 796800 3995.4276 20538.8585 14496.2233 257.8535 -203211.8721 2982.1272 0.0000 0.0000 52113.8273 -108827.5548 299.4989 -160941.3820 -108480.5851 299.7355 197.3296 221.8635 762886.4339 -0.0232 -0.0836 PRESSURE: 797000 126.061 24.061 -105.136 24.0615 371.69 22.7465 -105.136 22.7467 -138.641 GPRESSURE: 797000 176.887 -99.145 -91.6959 107.443 413.453 1.18453 -154.654 -24.3699 -181.979 PRESSAVG: 797000 92.649 74.5784 51.1061 74.5784 -103.476 -38.335 51.1061 -38.335 11.6689 GPRESSAVG: 797000 92.6908 74.2451 52.6861 74.56 -103.477 -37.8395 50.3946 -37.8255 11.3261 TIMING: 797000 CPU: 2484.04, 0.00311439/step Wall: 2484.04, 0.00311439/step, 3.63605 hours remaining, 234.824219 MB of memory in use. ENERGY: 797000 4014.0612 20649.6737 14464.3974 256.3918 -203382.6527 2934.4099 0.0000 0.0000 52293.9845 -108769.7340 300.5342 -161063.7186 -108423.8189 299.8667 119.7030 136.1205 763377.2852 0.2805 0.1800 PRESSURE: 797200 -254.427 90.9123 -37.5231 90.9127 -242.405 88.4826 -37.5223 88.4823 91.2131 GPRESSURE: 797200 -309.125 -43.3145 -17.2457 126.023 -215.498 59.7999 -113.927 -52.5122 202.367 PRESSAVG: 797200 48.6889 -21.9358 -5.99329 -21.9358 -58.347 -9.76054 -5.99325 -9.76054 -6.38453 GPRESSAVG: 797200 48.8248 -23.5478 -5.41571 -22.264 -58.7901 -9.06115 -5.34534 -11.6352 -5.82448 TIMING: 797200 CPU: 2484.67, 0.00312472/step Wall: 2484.67, 0.00312472/step, 3.64793 hours remaining, 234.824219 MB of memory in use. ENERGY: 797200 4022.5351 20484.0074 14557.0105 234.6517 -203023.0555 2693.6095 0.0000 0.0000 52279.9958 -108751.2456 300.4539 -161031.2414 -108397.5821 300.1101 -135.2064 -107.4185 766302.7527 -5.3476 -5.2633 PRESSURE: 797400 361.061 -139.623 105.385 -139.622 265.795 56.6905 105.386 56.6902 361.517 GPRESSURE: 797400 382.854 -177.555 -21.6462 -206.094 315.647 67.4572 61.0996 111.56 368.826 PRESSAVG: 797400 0.130858 -8.35557 35.1629 -8.35554 11.0595 1.68442 35.163 1.68435 17.5734 GPRESSAVG: 797400 0.762465 -7.2428 33.6793 -8.3496 10.8458 0.509835 35.6698 3.92476 17.2573 TIMING: 797400 CPU: 2485.3, 0.00313458/step Wall: 2485.3, 0.00313458/step, 3.65927 hours remaining, 234.824219 MB of memory in use. ENERGY: 797400 4038.5200 20692.7061 14433.7659 276.3494 -203269.5588 3166.9172 0.0000 0.0000 52021.9926 -108639.3078 298.9711 -160661.3004 -108278.6183 300.2395 329.4574 355.7758 763984.7893 9.5879 9.6219 PRESSURE: 797600 -48.9903 -44.3756 97.9567 -44.3756 202.559 -148.341 97.9561 -148.342 32.3382 GPRESSURE: 797600 -38.8764 -48.524 137.577 93.4728 349.614 -163.835 12.908 -62.7598 -34.1532 PRESSAVG: 797600 -37.6343 -27.2891 29.9226 -27.2891 40.0074 15.4463 29.9226 15.4463 4.68657 GPRESSAVG: 797600 -38.7722 -26.955 30.934 -26.9716 41.3136 17.8819 28.3847 13.8687 4.05477 TIMING: 797600 CPU: 2485.92, 0.00312609/step Wall: 2485.92, 0.00312609/step, 3.64919 hours remaining, 234.824219 MB of memory in use. ENERGY: 797600 4064.7778 20584.3302 14461.1070 264.1265 -203354.0054 3208.1731 0.0000 0.0000 52059.8413 -108711.6495 299.1886 -160771.4908 -108355.2235 300.1786 61.9688 92.1950 764292.6026 2.3532 2.1987 PRESSURE: 797800 -219.375 -66.0597 -7.68377 -66.0596 118.055 -112.148 -7.68389 -112.149 -1.83192 GPRESSURE: 797800 -146.059 -45.3595 -57.0387 -121.236 120.36 -154.058 -2.2608 -167.877 3.17179 PRESSAVG: 797800 -55.0235 28.0133 -7.34051 28.0133 36.6854 -9.71226 -7.34049 -9.71234 -9.85676 GPRESSAVG: 797800 -54.48 27.9836 -5.62116 27.2009 35.9258 -10.9269 -7.01218 -7.30759 -9.03142 TIMING: 797800 CPU: 2486.54, 0.00310863/step Wall: 2486.54, 0.00310863/step, 3.62863 hours remaining, 234.824219 MB of memory in use. ENERGY: 797800 4024.3749 20560.8721 14471.5331 253.0529 -203435.4150 3032.0258 0.0000 0.0000 52255.3443 -108838.2119 300.3122 -161093.5562 -108468.8029 299.9635 -34.3841 -7.5090 764123.9706 -9.3983 -9.1952 PRESSURE: 798000 95.7631 -50.9234 -42.2941 -50.9226 136.307 133.19 -42.2947 133.19 162.485 GPRESSURE: 798000 225.222 -79.3506 -20.4974 -109.582 137.901 152.028 -104.387 93.6679 109.983 PRESSAVG: 798000 -38.3787 29.2474 44.6198 29.2473 37.1228 48.5237 44.6198 48.5236 -4.15227 GPRESSAVG: 798000 -39.4461 30.4132 42.1552 28.387 37.8264 47.4992 43.4992 48.2973 -4.34413 TIMING: 798000 CPU: 2487.16, 0.0030955/step Wall: 2487.16, 0.0030955/step, 3.61314 hours remaining, 234.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 798000 3955.0729 20466.6321 14459.0492 263.4110 -203259.3474 2898.4612 0.0000 0.0000 52309.4966 -108907.2244 300.6234 -161216.7210 -108549.6946 299.9300 131.5184 157.7020 763024.6959 -1.8027 -1.9880 PRESSURE: 798200 -2.15819 2.94111 -268.76 2.9411 -90.41 -108.717 -268.761 -108.717 297.162 GPRESSURE: 798200 6.07787 67.0442 -312.666 62.1483 5.48866 -122.43 -147.291 29.5847 274.682 PRESSAVG: 798200 -33.5571 -16.0739 -24.6892 -16.0739 38.7041 -8.69994 -24.6892 -8.69999 19.1061 GPRESSAVG: 798200 -33.3585 -15.3053 -22.9894 -14.3024 39.0973 -5.90233 -23.433 -10.6914 19.053 TIMING: 798200 CPU: 2487.78, 0.00309078/step Wall: 2487.78, 0.00309078/step, 3.60746 hours remaining, 234.824219 MB of memory in use. ENERGY: 798200 3989.1855 20589.3750 14386.7380 292.0526 -202742.7276 2567.5440 0.0000 0.0000 52350.9183 -108566.9142 300.8614 -160917.8325 -108215.2171 299.6589 68.1980 95.4162 763316.2498 8.0844 8.2640 PRESSURE: 798400 -203.2 226.091 149.609 226.091 552.861 54.8713 149.609 54.8713 127.455 GPRESSURE: 798400 -60.6432 198.214 104.59 112.777 521.615 41.496 102.769 -42.5742 97.8928 PRESSAVG: 798400 -9.02001 -14.7517 -9.27683 -14.7518 9.4782 -13.5663 -9.27686 -13.5664 -22.5878 GPRESSAVG: 798400 -7.22685 -15.4145 -10.4178 -15.4539 7.48157 -13.4776 -9.84386 -12.8931 -23.0203 TIMING: 798400 CPU: 2488.4, 0.00309087/step Wall: 2488.4, 0.00309087/step, 3.60739 hours remaining, 234.824219 MB of memory in use. ENERGY: 798400 3994.3483 20604.1268 14464.2724 261.6329 -202907.4320 2947.0091 0.0000 0.0000 52062.4814 -108573.5611 299.2038 -160636.0425 -108216.8947 300.1685 159.0383 186.2882 762307.1670 -7.3765 -7.5885 PRESSURE: 798600 -166.691 223.358 218.445 223.357 -261.133 -74.3395 218.445 -74.3405 286.971 GPRESSURE: 798600 -152.838 150.213 231.16 204.789 -155.818 -50.8516 135.792 -86.1613 245.191 PRESSAVG: 798600 -22.6135 59.9101 5.10453 59.9102 43.6527 4.24508 5.10454 4.24515 -4.56778 GPRESSAVG: 798600 -22.6367 57.8027 5.91823 58.0228 43.5635 1.57579 6.72566 5.11776 -4.10182 TIMING: 798600 CPU: 2489.02, 0.00309936/step Wall: 2489.02, 0.00309936/step, 3.61713 hours remaining, 234.824219 MB of memory in use. ENERGY: 798600 4051.6970 20748.9766 14523.2301 258.9297 -202986.2218 2712.3215 0.0000 0.0000 52083.3219 -108607.7450 299.3236 -160691.0669 -108239.3571 299.9330 -46.9511 -21.1549 763924.2039 5.4905 5.6083 PRESSURE: 798800 254.557 -176.568 50.7693 -176.567 215.686 7.8931 50.7698 7.89444 193.97 GPRESSURE: 798800 275.987 -208.963 50.5239 -110.343 298.641 15.5304 101.733 -102.805 165.011 PRESSAVG: 798800 14.0046 49.9004 -21.1927 49.9004 -8.261 44.5854 -21.1927 44.5855 7.71016 GPRESSAVG: 798800 14.2022 51.9959 -19.4807 52.7578 -7.36327 45.7158 -21.3854 46.7516 7.02912 TIMING: 798800 CPU: 2489.64, 0.00309833/step Wall: 2489.64, 0.00309833/step, 3.61575 hours remaining, 234.824219 MB of memory in use. ENERGY: 798800 3969.6572 20539.6943 14421.5609 248.7660 -202788.8035 2918.5944 0.0000 0.0000 51874.0771 -108816.4537 298.1210 -160690.5308 -108456.8912 299.8589 221.4042 246.5461 763121.5506 4.4846 4.6227 PRESSURE: 799000 -119.885 -93.4096 308.907 -93.4091 -72.0226 33.0208 308.906 33.0214 226.259 GPRESSURE: 799000 -125.2 -33.5668 225.051 -137.523 -31.7225 83.7716 270.008 -118.296 251.143 PRESSAVG: 799000 -9.45377 -10.5665 0.819272 -10.5665 -0.108997 -3.03358 0.819294 -3.03347 51.0261 GPRESSAVG: 799000 -10.1307 -11.5215 0.883754 -11.1618 -0.214425 -2.36324 0.690877 -6.14458 51.3661 TIMING: 799000 CPU: 2490.26, 0.00309496/step Wall: 2490.26, 0.00309496/step, 3.61165 hours remaining, 234.824219 MB of memory in use. ENERGY: 799000 4102.9301 20502.7431 14495.5913 258.6353 -202996.8998 2825.9048 0.0000 0.0000 51906.3941 -108904.7012 298.3068 -160811.0952 -108542.9197 298.8539 11.4502 31.4070 763677.6865 13.8211 13.6737 PRESSURE: 799200 -94.6037 -141.136 -19.3816 -141.136 -70.6384 -130.152 -19.382 -130.151 -338.139 GPRESSURE: 799200 -131.68 -104.606 -78.1084 -131.22 56.9352 -48.5323 87.2371 -96.1043 -340.523 PRESSAVG: 799200 -39.0784 -16.2472 -1.36079 -16.2473 0.677857 -31.4307 -1.36084 -31.4307 9.64771 GPRESSAVG: 799200 -39.058 -17.0709 -1.9116 -17.0785 2.11398 -31.8176 -3.35763 -31.3104 7.91914 TIMING: 799200 CPU: 2490.88, 0.00310935/step Wall: 2490.88, 0.00310935/step, 3.62827 hours remaining, 234.824219 MB of memory in use. ENERGY: 799200 3994.5995 20551.1875 14521.6667 257.2607 -202841.8654 2657.1663 0.0000 0.0000 51914.5893 -108945.3954 298.3539 -160859.9847 -108599.8920 298.9543 -167.7936 -138.4227 761587.2623 -9.5843 -9.6750 PRESSURE: 799400 6.73376 -92.6579 13.3891 -92.6583 39.886 0.230772 13.3885 0.229843 -195.817 GPRESSURE: 799400 61.5865 -129.781 -19.9795 -74.433 49.5097 39.4625 100.035 16.9055 -179.89 PRESSAVG: 799400 0.35741 6.61765 2.61532 6.61764 43.5943 55.5237 2.61531 55.5238 -11.7502 GPRESSAVG: 799400 -0.0764418 6.8852 1.04722 7.08043 41.8676 55.4513 5.08426 55.3546 -9.66084 TIMING: 799400 CPU: 2491.5, 0.00312087/step Wall: 2491.5, 0.00312087/step, 3.64154 hours remaining, 234.824219 MB of memory in use. ENERGY: 799400 4066.2040 20550.1698 14544.0835 253.4414 -203171.2382 2835.7994 0.0000 0.0000 51948.5592 -108972.9809 298.5491 -160921.5402 -108619.4648 299.1417 -49.7326 -22.9313 763671.3405 10.7338 10.7101 PRESSURE: 799600 399.991 -211.474 27.8217 -211.474 26.9446 328.662 27.8222 328.662 -46.4722 GPRESSURE: 799600 387.282 -279.612 29.0427 -280.173 -5.33197 304.536 -44.6979 226.103 80.8022 PRESSAVG: 799600 6.79225 -19.1588 31.5974 -19.1588 14.2605 31.9018 31.5974 31.9018 1.46462 GPRESSAVG: 799600 7.59355 -18.7087 34.0388 -19.5079 14.1572 32.2027 31.0018 31.2704 1.23508 TIMING: 799600 CPU: 2492.13, 0.00313606/step Wall: 2492.13, 0.00313606/step, 3.65908 hours remaining, 234.824219 MB of memory in use. ENERGY: 799600 3985.3475 20512.4852 14430.6879 251.4168 -203098.4321 2919.8044 0.0000 0.0000 51947.4995 -109051.1908 298.5430 -160998.6903 -108695.7569 298.5320 126.8211 154.2506 763551.3441 7.5058 7.6619 PRESSURE: 799800 74.3438 -264.157 -5.19255 -264.156 309.973 -181.99 -5.19278 -181.99 361.02 GPRESSURE: 799800 122.786 -250.079 15.6081 -260.256 323.945 -94.2699 34.6482 -42.4308 384.41 PRESSAVG: 799800 15.3162 -0.258328 -5.6346 -0.258282 8.15849 19.7382 -5.6346 19.7383 16.2893 GPRESSAVG: 799800 16.7035 -3.47443 -7.13679 0.781325 6.75024 21.6138 -5.93888 21.3053 16.4679 TIMING: 799800 CPU: 2492.75, 0.00312108/step Wall: 2492.75, 0.00312108/step, 3.64144 hours remaining, 234.824219 MB of memory in use. ENERGY: 799800 4009.3876 20478.1282 14476.2048 224.2459 -203075.4855 2979.9310 0.0000 0.0000 51906.6810 -109000.9070 298.3084 -160907.5880 -108640.7145 298.6836 248.4456 277.0471 763097.5278 13.2547 13.3072 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 800000 WRITING COORDINATES TO RESTART FILE AT STEP 800000 FINISHED WRITING RESTART COORDINATES The last position output (seq=800000) takes 0.036 seconds, 234.824 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 800000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 800000 57.5901 14.1758 197.646 14.1751 -153.909 62.7769 197.646 62.7772 194.385 GPRESSURE: 800000 -14.3785 70.7082 209.767 129.06 -5.59046 28.5757 129.056 -19.9518 218.629 PRESSAVG: 800000 4.10927 43.3301 -20.8657 43.3301 -8.97577 49.9392 -20.8658 49.9392 -10.2362 GPRESSAVG: 800000 2.58781 46.7334 -20.0035 41.1838 -6.53339 46.3184 -21.1171 51.55 -11.0897 TIMING: 800000 CPU: 2493.44, 0.0034113/step Wall: 2493.44, 0.0034113/step, 3.97985 hours remaining, 234.949219 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: 800000 3968.3799 20328.2170 14487.3335 248.8841 -202964.4171 2764.8070 0.0000 0.0000 52094.9928 -109071.8029 299.3906 -161166.7956 -108696.8791 298.9601 32.6888 66.2202 763484.3902 -5.0342 -5.0118 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 800000 PRESSURE: 800200 138.005 66.9467 98.083 66.947 157.699 106.708 98.0827 106.709 -122.79 GPRESSURE: 800200 68.9327 10.1312 84.4144 16.3926 267.625 187.898 61.6926 242.954 -75.796 PRESSAVG: 800200 -89.9743 -1.43938 -47.7579 -1.43939 7.88625 34.0741 -47.7579 34.0741 9.94894 GPRESSAVG: 800200 -90.4601 -3.43825 -48.2967 -0.868778 9.03684 35.1069 -48.6263 33.0171 9.43588 TIMING: 800200 CPU: 2494.09, 0.00329211/step Wall: 2494.09, 0.00329211/step, 3.84061 hours remaining, 234.949219 MB of memory in use. ENERGY: 800200 3915.0934 20554.7753 14490.4315 251.9094 -202475.0713 2512.5211 0.0000 0.0000 51667.1597 -109083.1810 296.9319 -160750.3406 -108726.5462 298.5661 57.6382 86.9206 765174.1324 -24.0464 -23.9958 LDB: ============= START OF LOAD BALANCING ============== 2506.57 LDB: ============== END OF LOAD BALANCING =============== 2506.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2506.57 LDB: ============= START OF LOAD BALANCING ============== 2506.89 LDB: Largest compute 6972 load 0.031987 is 16.4% of average load 0.194963 LDB: Average compute 0.004377 is 2.2% of average load 0.194963 LDB: TIME 2506.89 LOAD: AVG 0.194963 MAX 0.215908 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.629 MB LDB: TIME 2506.89 LOAD: AVG 0.194963 MAX 0.215908 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.832 MB LDB: TIME 2506.89 LOAD: AVG 0.194963 MAX 0.215908 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.832 MB LDB: ============== END OF LOAD BALANCING =============== 2506.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2506.9 PRESSURE: 800400 -430.606 -6.42568 -215.944 -6.42569 0.161489 -149.425 -215.944 -149.425 66.888 GPRESSURE: 800400 -375.758 96.1784 -217.01 -57.5144 9.88007 -203.512 -119.272 -54.1935 87.6993 PRESSAVG: 800400 -22.3733 0.252574 29.2105 0.252571 13.3359 -12.4006 29.2105 -12.4006 -13.7645 GPRESSAVG: 800400 -20.9593 1.38706 29.3226 0.583648 11.348 -11.7214 30.9333 -11.7578 -13.6791 TIMING: 800400 CPU: 2494.73, 0.00318797/step Wall: 2494.73, 0.00318797/step, 3.71894 hours remaining, 233.742188 MB of memory in use. ENERGY: 800400 3981.6836 20536.2430 14487.2387 244.3305 -203042.7106 2902.0213 0.0000 0.0000 51817.6810 -109073.5125 297.7969 -160891.1935 -108715.4402 298.7845 -121.1856 -92.7264 764572.5227 -7.6007 -7.7635 PRESSURE: 800600 -293.917 -111.274 -40.9953 -111.275 -138.782 -181.827 -40.9956 -181.827 96.2306 GPRESSURE: 800600 -303.522 -108.786 -38.6397 -21.4961 -96.714 -166.483 -136.328 -317.233 158.82 PRESSAVG: 800600 -34.9672 -13.7663 -32.4091 -13.7663 -7.50394 21.9894 -32.4091 21.9893 26.1911 GPRESSAVG: 800600 -35.1083 -13.5406 -32.0205 -13.8232 -7.01671 23.4975 -34.9965 20.7405 26.145 TIMING: 800600 CPU: 2495.36, 0.00311902/step Wall: 2495.36, 0.00311902/step, 3.63834 hours remaining, 233.945312 MB of memory in use. ENERGY: 800600 3967.7304 20593.3900 14490.5489 254.4802 -203142.7765 2756.3553 0.0000 0.0000 52057.2644 -109023.0073 299.1738 -161080.2717 -108655.2259 299.0477 -112.1561 -80.4723 765116.2224 -5.4267 -5.3267 PRESSURE: 800800 -211.304 -62.1505 -30.0621 -62.1512 314.877 35.3735 -30.0612 35.3741 -93.1308 GPRESSURE: 800800 -61.0901 -71.2753 -67.4793 -132.53 314.012 1.60129 -34.3309 56.9393 -152.708 PRESSAVG: 800800 61.6579 -3.53568 39.9722 -3.53568 -4.52553 -49.8935 39.9722 -49.8935 10.6714 GPRESSAVG: 800800 61.1201 -4.60314 37.2809 -2.86241 -4.19837 -52.1561 41.5921 -48.4898 10.6615 TIMING: 800800 CPU: 2495.98, 0.00310976/step Wall: 2495.98, 0.00310976/step, 3.62737 hours remaining, 233.945312 MB of memory in use. ENERGY: 800800 3972.7804 20595.1609 14499.8842 247.6998 -203477.9777 3108.4530 0.0000 0.0000 51995.5917 -109058.4076 298.8194 -161053.9994 -108700.2198 298.8447 3.4807 33.4045 763485.9801 22.6013 22.5277 PRESSURE: 801000 59.6533 6.44049 64.09 6.44165 -59.8848 -36.5968 64.0906 -36.597 41.8855 GPRESSURE: 801000 6.94511 -53.4813 62.7335 -70.018 56.1266 -35.363 69.1382 -30.9918 44.1614 PRESSAVG: 801000 -21.0398 20.4181 -28.8585 20.4181 -5.42219 -22.1753 -28.8584 -22.1754 -34.0026 GPRESSAVG: 801000 -20.4465 19.3752 -26.7003 18.3095 -5.44854 -21.0136 -30.3094 -24.5401 -34.2828 TIMING: 801000 CPU: 2496.6, 0.0031101/step Wall: 2496.6, 0.0031101/step, 3.62758 hours remaining, 233.945312 MB of memory in use. ENERGY: 801000 3967.8993 20544.4880 14537.7619 239.5781 -203356.9415 2973.0703 0.0000 0.0000 52150.4784 -108943.6654 299.7095 -161094.1439 -108586.5253 298.9603 13.8847 35.7444 764615.4626 -20.1549 -20.0593 PRESSURE: 801200 -28.9936 -76.8704 -228.801 -76.8702 147.138 2.59375 -228.802 2.59482 13.1915 GPRESSURE: 801200 51.0548 25.0272 -192.96 -7.85466 170.376 -8.35093 -88.8951 50.6542 -11.6919 PRESSAVG: 801200 14.3796 -10.1195 -14.7155 -10.1195 1.27958 7.64963 -14.7154 7.64973 -17.5246 GPRESSAVG: 801200 13.9791 -7.63692 -15.2199 -8.77585 1.11901 8.30518 -13.138 8.51981 -16.6411 TIMING: 801200 CPU: 2497.22, 0.00310879/step Wall: 2497.22, 0.00310879/step, 3.62589 hours remaining, 233.945312 MB of memory in use. ENERGY: 801200 3897.9984 20448.9150 14529.2415 258.6203 -203221.8029 2971.2052 0.0000 0.0000 52182.1891 -108933.6334 299.8918 -161115.8225 -108568.3409 299.4646 43.7787 69.9130 764429.8865 -0.6218 -0.5143 PRESSURE: 801400 355.5 132.348 -82.6528 132.348 182.273 -154.657 -82.6528 -154.658 98.937 GPRESSURE: 801400 437.527 70.8693 -14.2353 180.197 108.749 -89.39 -95.7684 -137.71 186.996 PRESSAVG: 801400 22.4721 4.18261 -12.2474 4.18261 -47.35 2.4067 -12.2475 2.40666 21.948 GPRESSAVG: 801400 22.065 0.939772 -11.0384 4.67473 -46.5557 2.50334 -10.6601 3.14888 21.6486 TIMING: 801400 CPU: 2497.84, 0.00310193/step Wall: 2497.84, 0.00310193/step, 3.61771 hours remaining, 233.945312 MB of memory in use. ENERGY: 801400 4007.1270 20416.3893 14489.1916 254.2715 -203229.4561 3010.3462 0.0000 0.0000 52210.0141 -108842.1164 300.0517 -161052.1305 -108482.1704 299.2329 212.2365 244.4238 763073.4577 -0.9767 -0.9474 PRESSURE: 801600 47.9146 86.1598 27.6488 86.1594 -42.2031 -173.147 27.6483 -173.147 -127.665 GPRESSURE: 801600 48.5097 9.32272 -91.4802 -14.3964 -2.05212 -247.166 5.16149 -190.607 -117.353 PRESSAVG: 801600 -4.88717 24.0625 16.682 24.0625 45.8598 1.83886 16.682 1.83887 27.6338 GPRESSAVG: 801600 -3.47608 26.8876 15.6801 22.0132 45.3882 0.617674 14.741 0.724721 26.6513 TIMING: 801600 CPU: 2498.46, 0.00311115/step Wall: 2498.46, 0.00311115/step, 3.62829 hours remaining, 233.945312 MB of memory in use. ENERGY: 801600 4014.1387 20548.2227 14503.2083 241.1638 -202977.1499 2600.3333 0.0000 0.0000 52145.6351 -108924.4480 299.6817 -161070.0830 -108563.3929 299.5856 -40.6511 -23.6319 764128.9146 22.8688 22.8545 PRESSURE: 801800 -122.88 46.2567 153.865 46.2566 -340.055 31.1332 153.865 31.1329 -442.394 GPRESSURE: 801800 -231.398 44.4746 101.574 -70.6507 -167.003 -48.2909 288.617 61.1401 -436.911 PRESSAVG: 801800 -59.6366 53.5555 8.30035 53.5556 42.6974 4.25409 8.30032 4.25416 7.62005 GPRESSAVG: 801800 -59.426 52.8734 8.75724 55.2003 42.2726 4.04464 9.72857 5.40167 7.81443 TIMING: 801800 CPU: 2499.09, 0.00311851/step Wall: 2499.09, 0.00311851/step, 3.6367 hours remaining, 233.945312 MB of memory in use. ENERGY: 801800 4068.6197 20566.9530 14526.8662 249.1246 -202863.2396 2536.0150 0.0000 0.0000 52046.3234 -108869.3377 299.1109 -160915.6611 -108507.6614 299.5365 -301.7763 -278.4373 764962.0580 -3.1064 -3.1130 PRESSURE: 802000 -66.7912 -88.1397 -220.775 -88.1403 -353.727 5.34614 -220.774 5.3468 -737.085 GPRESSURE: 802000 -101.978 -92.7456 -84.7074 -12.7956 -300.536 9.01335 -194.747 22.5051 -662.527 PRESSAVG: 802000 -12.0101 4.65268 -51.5403 4.65269 -19.892 32.742 -51.5403 32.742 -10.2696 GPRESSAVG: 802000 -12.9278 4.99617 -51.5541 3.59774 -18.7646 34.6743 -53.3638 31.2115 -10.2037 TIMING: 802000 CPU: 2499.71, 0.00310503/step Wall: 2499.71, 0.00310503/step, 3.62081 hours remaining, 233.945312 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: 802000 4034.8718 20381.0456 14508.4750 234.8761 -203076.9633 2768.7405 0.0000 0.0000 52307.1398 -108841.8145 300.6099 -161148.9543 -108462.1786 299.3236 -385.8679 -355.0135 765361.3840 -14.0572 -13.9654 PRESSURE: 802200 -94.8793 -19.8804 -8.98914 -19.8798 241.146 163.637 -8.98974 163.638 -99.7072 GPRESSURE: 802200 36.4074 44.8606 -45.2065 -68.0294 159.18 138.839 140.434 16.1082 -56.3615 PRESSAVG: 802200 3.59208 56.6341 -16.8946 56.634 36.9593 -7.9541 -16.8947 -7.95409 -9.44168 GPRESSAVG: 802200 4.94593 56.225 -17.4256 56.0406 36.1793 -9.53276 -15.5789 -6.36418 -9.31258 TIMING: 802200 CPU: 2500.33, 0.00310751/step Wall: 2500.33, 0.00310751/step, 3.62352 hours remaining, 233.945312 MB of memory in use. ENERGY: 802200 4000.1965 20479.1828 14527.5692 239.4649 -203446.7408 3059.3104 0.0000 0.0000 52082.5867 -109058.4302 299.3193 -161141.0170 -108700.9773 299.1636 15.5198 46.4086 762328.8737 10.3699 10.6042 PRESSURE: 802400 -336.949 -125.005 -182.554 -125.006 -346.018 -18.355 -182.554 -18.3536 3.37006 GPRESSURE: 802400 -396.288 -208.92 -192.897 -77.6832 -255.515 -75.3947 -93.3879 60.7894 57.234 PRESSAVG: 802400 -20.1879 48.0058 28.9901 48.0059 -3.41575 -18.4576 28.9901 -18.4576 14.4611 GPRESSAVG: 802400 -20.5899 48.9939 28.1247 49.1557 -3.03468 -17.6434 28.6766 -18.4867 14.3775 TIMING: 802400 CPU: 2500.95, 0.0031234/step Wall: 2500.95, 0.0031234/step, 3.64188 hours remaining, 233.945312 MB of memory in use. ENERGY: 802400 4022.5406 20506.6671 14530.0548 236.0220 -203130.8631 2850.3333 0.0000 0.0000 52037.2620 -108947.9834 299.0589 -160985.2453 -108588.9232 298.8229 -226.5323 -198.1897 764290.9165 -3.0475 -3.0824 PRESSURE: 802600 133.129 17.5988 -31.7934 17.5986 -335.518 135.565 -31.7924 135.565 1.10676 GPRESSURE: 802600 159.902 -31.0101 -50.7241 9.54549 -256.025 163.1 52.348 220.471 -19.9331 PRESSAVG: 802600 -6.21688 38.0858 -31.0849 38.0859 10.3967 12.4961 -31.0848 12.4961 -4.07182 GPRESSAVG: 802600 -5.75643 40.2639 -30.4052 35.6355 9.75475 11.6846 -32.6195 15.1426 -4.60084 TIMING: 802600 CPU: 2501.58, 0.00310255/step Wall: 2501.58, 0.00310255/step, 3.6174 hours remaining, 233.945312 MB of memory in use. ENERGY: 802600 4021.4909 20422.4881 14579.1222 277.6001 -203175.8492 2774.5839 0.0000 0.0000 51972.6381 -109127.9258 298.6875 -161100.5639 -108760.8460 299.1831 -67.0941 -38.6852 764565.5626 0.0360 -0.2008 PRESSURE: 802800 -297.911 -158.578 -22.1754 -158.578 -85.5845 99.7278 -22.1764 99.7278 216.273 GPRESSURE: 802800 -266.485 -160.071 -32.0505 -123.731 66.9136 180.369 34.5595 18.2638 111.322 PRESSAVG: 802800 27.806 12.0363 -37.982 12.0363 -4.6624 67.1669 -37.982 67.1668 3.62909 GPRESSAVG: 802800 27.4351 7.85354 -37.904 15.8677 -4.42499 69.9594 -37.2736 63.1184 4.24573 TIMING: 802800 CPU: 2502.19, 0.00309809/step Wall: 2502.19, 0.00309809/step, 3.61203 hours remaining, 233.945312 MB of memory in use. ENERGY: 802800 3955.5180 20570.1400 14537.6624 246.2655 -202986.8955 2666.1808 0.0000 0.0000 52092.2789 -108918.8498 299.3750 -161011.1287 -108563.7592 298.9225 -55.7411 -29.4165 762958.2271 8.9242 9.0853 PRESSURE: 803000 -18.0459 -30.7601 34.9257 -30.7592 14.9169 -50.1924 34.9261 -50.1914 -175.206 GPRESSURE: 803000 -67.0867 -98.8149 107.607 -39.2093 38.4182 -68.6554 6.2908 -130.724 -63.9043 PRESSAVG: 803000 -11.0779 -29.7812 41.4194 -29.7813 25.899 -37.0237 41.4194 -37.0237 5.26738 GPRESSAVG: 803000 -11.4168 -27.5523 41.7626 -30.9183 25.2036 -40.7933 43.1719 -36.0038 6.51462 TIMING: 803000 CPU: 2502.82, 0.0031008/step Wall: 2502.82, 0.0031008/step, 3.61502 hours remaining, 233.945312 MB of memory in use. ENERGY: 803000 4026.7592 20568.9582 14552.5067 234.0138 -203361.8903 3028.2057 0.0000 0.0000 52308.6993 -108642.7475 300.6188 -160951.4467 -108276.0252 299.9850 -59.4450 -30.8576 762484.2995 6.6962 6.7671 PRESSURE: 803200 -39.7812 0.894823 -34.8538 0.894538 205.021 67.6714 -34.8539 67.6703 80.6607 GPRESSURE: 803200 46.3558 131.751 -76.0389 141.729 188.554 61.4043 -74.6767 170.301 78.7008 PRESSAVG: 803200 13.1055 41.6277 49.7841 41.6278 8.08058 -15.0914 49.7841 -15.0914 36.3161 GPRESSAVG: 803200 12.3542 38.983 48.9049 41.9727 8.89239 -12.7191 46.8601 -14.1517 35.8127 TIMING: 803200 CPU: 2503.44, 0.00310228/step Wall: 2503.44, 0.00310228/step, 3.61656 hours remaining, 233.945312 MB of memory in use. ENERGY: 803200 3960.5119 20618.3231 14550.9601 226.9586 -202845.6101 2640.1478 0.0000 0.0000 52101.7694 -108746.9393 299.4296 -160848.7086 -108389.6288 299.6358 81.9668 104.5369 764065.5717 19.1674 19.0198 PRESSURE: 803400 371.655 43.2965 146.08 43.2967 -480.789 -32.3959 146.08 -32.3959 93.9984 GPRESSURE: 803400 418.601 37.2602 196.924 6.67019 -468.305 -63.7102 62.8197 -56.0746 105.023 PRESSAVG: 803400 25.8686 -20.5189 0.732896 -20.5189 -6.14509 -3.52522 0.732886 -3.52528 -4.66488 GPRESSAVG: 803400 24.6495 -18.0182 1.28205 -22.984 -5.19485 -5.20306 1.55623 -3.02507 -4.36567 TIMING: 803400 CPU: 2504.06, 0.00311709/step Wall: 2504.06, 0.00311709/step, 3.63366 hours remaining, 233.945312 MB of memory in use. ENERGY: 803400 4042.8849 20574.1975 14500.2771 260.6521 -202433.5568 2281.7160 0.0000 0.0000 52170.4059 -108603.4234 299.8240 -160773.8293 -108235.0734 299.7442 -5.0451 18.4396 763602.8010 5.0195 5.0297 PRESSURE: 803600 -28.2433 177.362 178.753 177.363 -198.438 -14.0346 178.753 -14.034 62.5316 GPRESSURE: 803600 32.8702 63.2122 129.834 126.678 -136.885 -125.009 169.345 -91.3123 28.2478 PRESSAVG: 803600 -39.9734 -6.75676 42.2005 -6.75674 34.8227 8.67601 42.2005 8.67608 -14.8904 GPRESSAVG: 803600 -38.5646 -7.09892 40.8564 -4.88489 33.643 8.38796 43.2935 7.91394 -15.4836 TIMING: 803600 CPU: 2504.68, 0.00311259/step Wall: 2504.68, 0.00311259/step, 3.62824 hours remaining, 233.945312 MB of memory in use. ENERGY: 803600 4015.1626 20533.4127 14545.0305 239.4173 -202578.9060 2600.3436 0.0000 0.0000 51899.4673 -108746.0720 298.2670 -160645.5393 -108385.9435 299.4692 -54.7165 -25.2557 763022.4939 -6.6804 -6.8017 PRESSURE: 803800 -93.8236 -52.8942 -210.174 -52.8942 -203.584 -111.872 -210.174 -111.872 160 GPRESSURE: 803800 -56.1987 80.5703 -217.799 -86.5166 -135.493 -90.3041 -142.917 -29.9331 135.558 PRESSAVG: 803800 -20.7573 13.6488 18.2031 13.6488 66.5152 -13.0267 18.2032 -13.0266 8.56151 GPRESSAVG: 803800 -21.0937 13.1974 18.7315 13.8612 67.9276 -12.3857 17.6576 -12.3624 7.63166 TIMING: 803800 CPU: 2505.3, 0.00310079/step Wall: 2505.3, 0.00310079/step, 3.61432 hours remaining, 233.945312 MB of memory in use. ENERGY: 803800 4008.4932 20549.4837 14493.8408 253.9192 -203031.0617 2855.0784 0.0000 0.0000 51991.0044 -108879.2420 298.7930 -160870.2464 -108523.7539 299.1693 -45.8024 -18.7112 763714.6483 18.1065 18.1552 PRESSURE: 804000 -70.8025 38.6258 146.353 38.6263 -45.6051 -133.113 146.355 -133.114 -5.44542 GPRESSURE: 804000 -108.448 125.496 98.6682 72.1757 6.18572 -133.85 77.3873 -223.111 45.0112 PRESSAVG: 804000 -49.2364 12.8822 80.2244 12.8822 46.1889 1.57406 80.2244 1.57404 8.82371 GPRESSAVG: 804000 -49.6154 15.9784 81.0163 10.1478 45.8946 1.37457 78.8995 1.50228 9.87013 TIMING: 804000 CPU: 2505.92, 0.00311297/step Wall: 2505.92, 0.00311297/step, 3.62834 hours remaining, 233.945312 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: 804000 3949.1274 20603.6902 14524.5056 254.0813 -202638.4929 2528.7821 0.0000 0.0000 52084.2658 -108694.0405 299.3290 -160778.3064 -108335.6394 299.4204 -40.6177 -19.0836 763216.1163 1.9254 2.0498 PRESSURE: 804200 54.9147 55.6962 276.662 55.6964 241.341 208.821 276.661 208.821 307.357 GPRESSURE: 804200 79.641 -21.8264 244.139 124.621 310.088 204.37 278.398 143.221 297.826 PRESSAVG: 804200 -30.6777 27.4415 79.9929 27.4415 41.6661 1.57074 79.993 1.57083 17.0632 GPRESSAVG: 804200 -29.1486 25.4621 79.4064 30.0525 41.1991 1.03121 82.4033 1.40817 16.032 TIMING: 804200 CPU: 2506.55, 0.00311412/step Wall: 2506.55, 0.00311412/step, 3.62951 hours remaining, 233.945312 MB of memory in use. ENERGY: 804200 3995.2860 20511.1100 14509.1519 275.2085 -202873.3353 2860.7082 0.0000 0.0000 52091.2930 -108630.5777 299.3694 -160721.8707 -108264.9150 299.6591 201.2043 229.1851 762573.9406 9.3505 9.3609 LDB: ============= START OF LOAD BALANCING ============== 2519.02 LDB: ============== END OF LOAD BALANCING =============== 2519.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2519.03 LDB: ============= START OF LOAD BALANCING ============== 2519.34 LDB: Largest compute 6972 load 0.031569 is 16.2% of average load 0.195126 LDB: Average compute 0.004354 is 2.2% of average load 0.195126 LDB: TIME 2519.34 LOAD: AVG 0.195126 MAX 0.219616 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 2519.34 LOAD: AVG 0.195126 MAX 0.219616 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: TIME 2519.34 LOAD: AVG 0.195126 MAX 0.214595 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: ============== END OF LOAD BALANCING =============== 2519.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2519.35 PRESSURE: 804400 292.786 -255.461 -3.25104 -255.462 -134.224 -193.991 -3.25069 -193.991 60.1902 GPRESSURE: 804400 375.603 -213.549 42.7375 -190.7 -184.368 -208.246 -32.6641 -276.361 117.602 PRESSAVG: 804400 30.1049 38.6618 51.7847 38.6617 -3.84618 -14.2289 51.7847 -14.2289 -20.7532 GPRESSAVG: 804400 28.2871 39.2759 52.7159 37.6243 -2.64743 -12.8467 50.8872 -14.0493 -20.2829 TIMING: 804400 CPU: 2507.18, 0.00317091/step Wall: 2507.18, 0.00317091/step, 3.69552 hours remaining, 235.792969 MB of memory in use. ENERGY: 804400 3950.0497 20469.6622 14425.4753 244.6749 -202677.7805 2790.4270 0.0000 0.0000 52029.7018 -108767.7895 299.0154 -160797.4914 -108400.0742 299.4951 72.9175 102.9456 764063.8966 1.8352 1.7856 PRESSURE: 804600 209.234 230.821 267.161 230.821 452.059 -7.0484 267.161 -7.04841 243.003 GPRESSURE: 804600 173.282 179.665 280.574 232.408 527.316 17.663 167.369 139.465 266.371 PRESSAVG: 804600 12.1807 44.2861 35.9304 44.2861 -22.7348 -57.9083 35.9304 -57.9082 -2.3232 GPRESSAVG: 804600 12.8002 44.7761 35.6138 43.1192 -23.8016 -57.4957 35.0175 -59.0988 -2.23268 TIMING: 804600 CPU: 2507.8, 0.00311124/step Wall: 2507.8, 0.00311124/step, 3.62581 hours remaining, 235.792969 MB of memory in use. ENERGY: 804600 3992.2552 20538.1618 14457.8105 244.2226 -202832.2323 2712.7690 0.0000 0.0000 52237.8111 -108649.2022 300.2114 -160887.0133 -108282.4231 299.4271 301.4320 322.3228 762659.7545 -4.2924 -4.4114 PRESSURE: 804800 185.623 29.7445 -159.921 29.7447 308.437 85.813 -159.921 85.8133 101.182 GPRESSURE: 804800 234.507 34.4592 -215.451 -20.1393 326.721 124.182 -88.7386 -58.627 132.199 PRESSAVG: 804800 -46.3308 -7.57696 14.4108 -7.57703 31.9232 -1.17037 14.4108 -1.17033 -1.7557 GPRESSAVG: 804800 -45.8746 -7.82367 14.6279 -7.5249 31.1152 0.160427 15.3889 -2.33917 -2.18819 TIMING: 804800 CPU: 2508.43, 0.0031156/step Wall: 2508.43, 0.0031156/step, 3.63071 hours remaining, 235.792969 MB of memory in use. ENERGY: 804800 4002.5742 20626.3746 14612.0075 243.1563 -203284.4734 2979.3999 0.0000 0.0000 52115.3246 -108705.6363 299.5075 -160820.9609 -108348.7644 300.0364 198.4139 231.1425 763373.8325 -5.3878 -5.6492 PRESSURE: 805000 -65.8817 265.509 46.5749 265.508 -138.407 8.99791 46.5751 8.99811 -17.8322 GPRESSURE: 805000 -26.827 156.129 130.139 246.071 -137.629 44.9282 79.2766 75.3515 -10.4205 PRESSAVG: 805000 -37.2022 11.4046 13.1466 11.4046 51.3907 -32.7449 13.1467 -32.745 7.14148 GPRESSAVG: 805000 -37.0262 10.793 12.0537 12.4411 50.3817 -34.4534 14.1953 -31.065 8.24347 TIMING: 805000 CPU: 2509.05, 0.00310627/step Wall: 2509.05, 0.00310627/step, 3.61967 hours remaining, 235.792969 MB of memory in use. ENERGY: 805000 3963.4050 20615.8663 14559.6791 246.7441 -203122.5279 2755.7279 0.0000 0.0000 52011.9106 -108969.1949 298.9132 -160981.1055 -108596.3833 299.3765 -74.0405 -58.2920 764361.0859 7.1100 7.1997 PRESSURE: 805200 -275.093 249.114 -29.4135 249.114 -44.0609 129.508 -29.4137 129.509 -147.721 GPRESSURE: 805200 -180.816 173.597 -36.0923 211.728 -70.1857 211.107 21.3617 27.4158 -134.694 PRESSAVG: 805200 -19.8303 18.5839 5.9079 18.5839 -3.05049 9.89343 5.90797 9.89344 -28.0637 GPRESSAVG: 805200 -20.3768 19.3105 6.52105 17.231 -1.79642 9.86428 3.22577 10.3727 -28.9788 TIMING: 805200 CPU: 2509.67, 0.00309969/step Wall: 2509.67, 0.00309969/step, 3.61183 hours remaining, 235.792969 MB of memory in use. ENERGY: 805200 4010.5876 20827.9775 14408.3540 238.8305 -203264.3382 2966.1569 0.0000 0.0000 51768.4100 -109044.0216 297.5138 -160812.4316 -108684.7260 299.1163 -155.6249 -128.5652 764238.4454 -16.9815 -17.0507 PRESSURE: 805400 -193.943 23.5196 -205.629 23.52 14.274 42.3838 -205.629 42.3845 -4.66939 GPRESSURE: 805400 -138.859 -1.93723 -91.6324 -113.319 59.9556 -32.9383 -234.587 128.629 -17.4889 PRESSAVG: 805400 34.7556 5.10457 18.051 5.10461 -6.87867 14.2969 18.051 14.297 -4.29675 GPRESSAVG: 805400 34.8798 6.75378 20.3214 2.30294 -6.02658 14.8495 18.7539 12.4093 -5.06409 TIMING: 805400 CPU: 2510.29, 0.00310626/step Wall: 2510.29, 0.00310626/step, 3.61931 hours remaining, 235.792969 MB of memory in use. ENERGY: 805400 3957.6388 20563.0254 14502.2061 239.7242 -203324.1785 3013.5882 0.0000 0.0000 52055.1609 -108992.8349 299.1617 -161047.9959 -108633.1090 299.7417 -61.4460 -32.1309 763149.1260 7.8601 7.9297 PRESSURE: 805600 98.2532 36.7134 41.9661 36.7135 29.379 -191.806 41.9664 -191.806 -327.283 GPRESSURE: 805600 134.479 26.8128 31.9113 -16.1474 37.3953 -130.658 178.437 -251.144 -278.31 PRESSAVG: 805600 7.98968 32.1538 49.3604 32.1537 7.5398 -19.8219 49.3604 -19.8219 22.7993 GPRESSAVG: 805600 8.66711 30.5982 47.0791 35.9432 6.19974 -20.2267 51.4533 -17.9438 23.0893 TIMING: 805600 CPU: 2510.91, 0.00312233/step Wall: 2510.91, 0.00312233/step, 3.63786 hours remaining, 235.792969 MB of memory in use. ENERGY: 805600 4031.0200 20640.7414 14520.6359 257.2220 -203497.7860 3140.1584 0.0000 0.0000 52081.8565 -108826.1517 299.3151 -160908.0082 -108451.2073 299.5870 -66.5504 -35.4786 764395.0405 12.7763 12.6520 PRESSURE: 805800 239.378 45.8674 106.344 45.8679 -17.1388 179.578 106.345 179.578 196.289 GPRESSURE: 805800 253.304 134.976 79.4391 5.90571 68.1262 116.412 181.447 112.327 215.504 PRESSAVG: 805800 9.54772 2.23416 33.1824 2.23424 -30.8431 -28.5916 33.1824 -28.5916 0.46309 GPRESSAVG: 805800 9.94185 1.27583 33.1489 2.40816 -31.8376 -27.2734 32.8446 -31.5836 0.953575 TIMING: 805800 CPU: 2511.54, 0.00312799/step Wall: 2511.54, 0.00312799/step, 3.64429 hours remaining, 235.792969 MB of memory in use. ENERGY: 805800 4075.8338 20638.8599 14512.5052 254.2437 -203561.9498 3049.6949 0.0000 0.0000 51972.8055 -109058.0068 298.6884 -161030.8123 -108696.4871 299.5236 139.5095 178.9780 763185.0367 -6.9441 -6.9807 PRESSURE: 806000 -623.802 258.169 -92.0969 258.169 -589.658 -205.145 -92.0971 -205.145 -341.486 GPRESSURE: 806000 -542.477 262.754 -117.322 118.35 -567.223 -224.775 -6.88507 -172.26 -358.783 PRESSAVG: 806000 6.08311 28.0096 25.8421 28.0097 8.48155 -24.8188 25.8421 -24.8188 -13.643 GPRESSAVG: 806000 4.8705 28.9762 26.0061 27.5118 10.3172 -26.2726 24.8201 -23.0616 -14.2452 TIMING: 806000 CPU: 2512.16, 0.00310559/step Wall: 2512.16, 0.00310559/step, 3.61801 hours remaining, 235.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 806000 4051.0250 20475.0210 14516.0490 254.2529 -203541.8118 2957.4996 0.0000 0.0000 51886.3733 -109401.5911 298.1917 -161287.9643 -109041.4477 298.9655 -518.3153 -489.4945 763457.0021 0.3072 0.3142 PRESSURE: 806200 -9.58963 3.86365 -7.59392 3.8634 211.196 -42.6342 -7.59366 -42.6344 7.04599 GPRESSURE: 806200 134.946 37.3881 -67.868 -21.1441 201.495 -19.3014 -12.473 33.1938 -25.7257 PRESSAVG: 806200 20.0203 18.0985 7.61189 18.0985 -43.858 6.38782 7.61186 6.38771 12.215 GPRESSAVG: 806200 21.1923 16.8419 7.06242 17.3262 -43.62 7.02965 9.64753 8.2043 10.7752 TIMING: 806200 CPU: 2512.78, 0.0031044/step Wall: 2512.78, 0.0031044/step, 3.61646 hours remaining, 235.792969 MB of memory in use. ENERGY: 806200 3982.3611 20508.7933 14515.6697 248.2868 -203125.5470 2727.4835 0.0000 0.0000 52020.5371 -109122.4156 298.9627 -161142.9527 -108768.3115 298.8483 69.5509 103.5716 763650.4979 -3.8742 -3.8842 PRESSURE: 806400 -255.442 32.3453 -211.52 32.3458 -556.256 -127.019 -211.52 -127.018 252.711 GPRESSURE: 806400 -251.86 69.2334 -204.867 33.0626 -417.215 -193.147 -119.77 -167.025 170.003 PRESSAVG: 806400 -11.6851 28.8642 63.2252 28.8642 4.89348 12.968 63.2252 12.968 -5.72811 GPRESSAVG: 806400 -12.3121 30.4301 64.6642 30.2048 3.78269 10.7994 61.9422 12.4056 -4.55943 TIMING: 806400 CPU: 2513.4, 0.00311155/step Wall: 2513.4, 0.00311155/step, 3.62461 hours remaining, 235.792969 MB of memory in use. ENERGY: 806400 4038.7314 20535.4965 14525.3148 251.8602 -203192.9333 2636.4071 0.0000 0.0000 52122.4817 -109082.6415 299.5486 -161205.1232 -108715.2066 299.4659 -186.3290 -166.3575 763836.7550 -4.1732 -4.3629 PRESSURE: 806600 21.0564 -19.7647 -120.415 -19.7653 113.16 -91.6361 -120.415 -91.636 323.559 GPRESSURE: 806600 6.71085 10.533 0.810357 -143.169 69.2307 -104.493 -175.977 -99.2173 466.712 PRESSAVG: 806600 -46.7033 -8.98122 31.9795 -8.98122 32.0692 -40.8345 31.9794 -40.8345 -6.80076 GPRESSAVG: 806600 -47.029 -9.03713 33.8476 -9.77242 32.178 -39.2591 31.7291 -41.8366 -6.67615 TIMING: 806600 CPU: 2514.03, 0.0031297/step Wall: 2514.03, 0.0031297/step, 3.64558 hours remaining, 235.792969 MB of memory in use. ENERGY: 806600 3984.2383 20577.5926 14550.0370 221.9903 -203786.7711 3090.7219 0.0000 0.0000 52232.8395 -109129.3515 300.1828 -161362.1910 -108768.4245 299.1841 152.5919 180.8845 763644.8619 -7.1449 -7.1757 PRESSURE: 806800 87.6001 -72.4244 -139.621 -72.4238 61.477 105.581 -139.621 105.58 347.116 GPRESSURE: 806800 145.533 34.7194 -132.214 -265.098 112.123 126.217 -148.145 176.004 300.81 PRESSAVG: 806800 -2.42751 0.437056 2.15851 0.437051 51.6852 1.48884 2.15846 1.48881 3.34249 GPRESSAVG: 806800 -4.03562 1.43506 1.50806 -2.01021 53.0096 -0.0521838 0.879227 4.15407 3.37834 TIMING: 806800 CPU: 2514.66, 0.00313303/step Wall: 2514.66, 0.00313303/step, 3.64928 hours remaining, 235.792969 MB of memory in use. ENERGY: 806800 4005.3725 20574.9419 14525.0720 241.0699 -203394.1759 2803.3618 0.0000 0.0000 52062.4093 -109181.9486 299.2034 -161244.3579 -108815.0632 299.1419 165.3977 186.1551 762045.3669 17.5334 17.4508 PRESSURE: 807000 -354.084 -163.76 206.48 -163.76 -76.6187 -32.7029 206.48 -32.7029 148.512 GPRESSURE: 807000 -284.803 -109.513 147.1 -142.85 -140.881 107.781 203.691 12.6015 238.369 PRESSAVG: 807000 -2.23887 -15.6419 -3.46183 -15.6418 29.0227 39.2715 -3.46179 39.2715 8.34703 GPRESSAVG: 807000 -1.29632 -16.3738 -5.46311 -13.137 27.6309 41.9576 -1.56023 35.8527 8.87329 TIMING: 807000 CPU: 2515.28, 0.00312746/step Wall: 2515.28, 0.00312746/step, 3.64262 hours remaining, 235.792969 MB of memory in use. ENERGY: 807000 3966.9429 20658.6272 14446.1314 258.7185 -203224.5914 2726.8056 0.0000 0.0000 51962.3835 -109204.9823 298.6285 -161167.3658 -108833.7109 299.5565 -94.0635 -62.4383 763686.4055 11.7103 11.7359 PRESSURE: 807200 -63.2524 83.6349 40.2321 83.6341 27.4126 22.5841 40.2325 22.584 446.161 GPRESSURE: 807200 -22.0078 86.5183 116.617 83.9978 44.7355 -10.1162 16.1869 93.9914 469.902 PRESSAVG: 807200 6.79572 -6.35287 10.7746 -6.35281 -42.5897 9.37988 10.7746 9.37988 13.6005 GPRESSAVG: 807200 6.59021 -6.40401 10.614 -5.48758 -43.1153 7.04117 11.7088 11.8085 14.426 TIMING: 807200 CPU: 2515.9, 0.0031162/step Wall: 2515.9, 0.0031162/step, 3.62933 hours remaining, 235.792969 MB of memory in use. ENERGY: 807200 3907.4661 20594.4767 14445.4044 272.5333 -203625.5798 3074.2790 0.0000 0.0000 52057.4413 -109273.9789 299.1748 -161331.4202 -108910.9970 299.4325 136.7737 164.2098 762986.2522 -7.3978 -7.3663 PRESSURE: 807400 -193.658 188.797 -198.183 188.797 -125.44 134.775 -198.182 134.775 -107.437 GPRESSURE: 807400 -89.3497 32.2734 -115.719 117.192 -134.093 122.186 -123.408 236.905 -133.927 PRESSAVG: 807400 27.9127 -4.12709 -7.38935 -4.12709 -2.35637 26.0344 -7.38943 26.0344 -5.92126 GPRESSAVG: 807400 28.4146 -4.50016 -6.53776 -3.41017 -1.93912 26.633 -9.41577 24.6509 -7.12484 TIMING: 807400 CPU: 2516.52, 0.00309631/step Wall: 2516.52, 0.00309631/step, 3.60599 hours remaining, 235.792969 MB of memory in use. ENERGY: 807400 4003.2332 20665.6928 14490.6515 247.3991 -203173.6669 2761.2479 0.0000 0.0000 51947.6629 -109057.7795 298.5439 -161005.4424 -108694.8552 299.3308 -142.1784 -119.1232 764983.1920 6.5450 6.4502 PRESSURE: 807600 -550.497 -9.94667 -14.4089 -9.94584 -44.3944 -327.589 -14.4089 -327.589 261.733 GPRESSURE: 807600 -589.385 -29.2883 -39.9116 -57.7445 38.9804 -409.28 -79.5001 -242.3 284.417 PRESSAVG: 807600 38.8325 11.6142 -6.25451 11.6142 -11.7687 16.5036 -6.25454 16.5036 0.465066 GPRESSAVG: 807600 38.3929 12.9971 -3.97222 10.991 -11.1857 17.2163 -5.94392 15.3718 0.236585 TIMING: 807600 CPU: 2517.15, 0.00311445/step Wall: 2517.15, 0.00311445/step, 3.62695 hours remaining, 235.792969 MB of memory in use. ENERGY: 807600 4059.8645 20679.6203 14432.7002 250.8837 -203391.9398 2865.3842 0.0000 0.0000 52333.5150 -108769.9720 300.7614 -161103.4870 -108407.5052 299.9045 -111.0527 -88.6626 765499.2959 9.1763 9.1479 PRESSURE: 807800 -132.567 14.7674 -109.887 14.767 -391.687 -148.993 -109.888 -148.994 -216.24 GPRESSURE: 807800 -116.744 -79.1226 -9.32683 -55.1089 -347.927 -137.637 -105.293 -12.4529 -191.541 PRESSAVG: 807800 -11.8525 24.712 64.536 24.7119 8.79029 -38.6598 64.5359 -38.6597 -0.591552 GPRESSAVG: 807800 -11.86 22.6383 62.684 25.6944 8.70869 -38.2084 64.1369 -38.2162 -0.404769 TIMING: 807800 CPU: 2517.77, 0.00312814/step Wall: 2517.77, 0.00312814/step, 3.64271 hours remaining, 235.792969 MB of memory in use. ENERGY: 807800 3996.1377 20617.2064 14529.4195 239.4531 -203091.7148 2687.8978 0.0000 0.0000 52273.9637 -108747.6365 300.4192 -161021.6002 -108382.3702 300.5014 -246.8318 -218.7372 764658.5474 -1.2179 -1.1854 PRESSURE: 808000 -381.166 -42.2948 122.016 -42.2942 -240.086 -10.5902 122.016 -10.5894 -224.857 GPRESSURE: 808000 -296.169 9.02016 84.1551 74.1017 -262.07 -82.0008 125.028 5.55327 -208.724 PRESSAVG: 808000 13.1322 6.00869 30.8591 6.00867 -39.6598 59.6023 30.8591 59.6023 -0.370541 GPRESSAVG: 808000 13.7461 7.00094 31.4702 5.97957 -39.6431 58.3385 32.2732 60.3825 -1.05817 TIMING: 808000 CPU: 2518.4, 0.00312674/step Wall: 2518.4, 0.00312674/step, 3.64092 hours remaining, 235.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 808000 4044.0458 20654.0743 14444.3927 236.0801 -203572.7172 3091.8910 0.0000 0.0000 52177.4251 -108924.8081 299.8644 -161102.2333 -108565.5101 300.1901 -282.0363 -255.6543 765631.2852 -8.9660 -8.9851 PRESSURE: 808200 -239.004 -195.713 157.916 -195.713 -117.143 -66.0445 157.917 -66.0455 -20.8808 GPRESSURE: 808200 -273.743 -175.082 214.414 -83.1993 -82.5241 -26.7568 105.406 45.0102 73.4305 PRESSAVG: 808200 36.8874 -33.7902 74.9912 -33.7901 -4.1066 34.426 74.9912 34.4261 -5.09366 GPRESSAVG: 808200 36.4792 -33.4843 73.8277 -36.1102 -3.67277 36.8689 74.0559 31.6964 -4.90118 TIMING: 808200 CPU: 2519.02, 0.00311528/step Wall: 2519.02, 0.00311528/step, 3.6274 hours remaining, 235.792969 MB of memory in use. ENERGY: 808200 4068.8519 20416.5181 14518.2785 253.9465 -203352.7961 3063.1150 0.0000 0.0000 51967.6796 -109064.4066 298.6590 -161032.0862 -108701.5160 299.7305 -125.6760 -94.2790 765835.4861 9.2291 9.3017 LDB: ============= START OF LOAD BALANCING ============== 2531.5 LDB: ============== END OF LOAD BALANCING =============== 2531.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2531.5 LDB: ============= START OF LOAD BALANCING ============== 2531.81 LDB: Largest compute 6972 load 0.032018 is 16.4% of average load 0.195074 LDB: Average compute 0.004391 is 2.3% of average load 0.195074 LDB: TIME 2531.82 LOAD: AVG 0.195074 MAX 0.216812 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.469 MB LDB: TIME 2531.82 LOAD: AVG 0.195074 MAX 0.216812 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.469 MB LDB: TIME 2531.82 LOAD: AVG 0.195074 MAX 0.216812 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.469 MB LDB: ============== END OF LOAD BALANCING =============== 2531.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2531.82 PRESSURE: 808400 103.188 -57.8008 11.2873 -57.799 -69.1967 -307.609 11.2865 -307.609 125.478 GPRESSURE: 808400 175.139 33.582 77.9263 -37.5819 -78.6126 -300.363 53.7897 -301.334 149.785 PRESSAVG: 808400 13.2732 19.1102 5.17169 19.1102 12.7646 15.4778 5.1717 15.4779 -4.08459 GPRESSAVG: 808400 13.8309 18.5114 5.7282 21.1695 11.8527 13.3474 6.57776 19.444 -4.13409 TIMING: 808400 CPU: 2519.66, 0.00318764/step Wall: 2519.66, 0.00318763/step, 3.71147 hours remaining, 233.671875 MB of memory in use. ENERGY: 808400 3995.5989 20621.8800 14522.2505 260.4572 -203339.1231 3155.9636 0.0000 0.0000 51988.6080 -108794.3648 298.7792 -160782.9728 -108434.7985 299.4474 53.1562 82.1037 764795.7666 7.3177 7.1832 PRESSURE: 808600 -122.176 60.2431 -153.703 60.2429 86.8583 -21.0887 -153.703 -21.0896 -141.496 GPRESSURE: 808600 -153.535 55.0175 -78.8696 -3.30586 146.342 11.1056 -117.078 -2.11392 -119.731 PRESSAVG: 808600 -30.3655 -30.667 49.3811 -30.6669 17.194 2.42342 49.3811 2.42346 27.922 GPRESSAVG: 808600 -30.6059 -31.1932 50.7688 -30.8512 17.3153 2.691 46.8763 2.78032 27.7514 TIMING: 808600 CPU: 2520.28, 0.00310659/step Wall: 2520.28, 0.00310659/step, 3.61693 hours remaining, 233.671875 MB of memory in use. ENERGY: 808600 3979.3657 20702.6591 14487.8559 262.5080 -202883.6018 2821.3387 0.0000 0.0000 51910.6086 -108719.2657 298.3310 -160629.8743 -108354.3405 299.3570 -58.9378 -42.3080 765724.2495 4.9168 4.8203 PRESSURE: 808800 105.528 29.7102 48.9969 29.7101 -8.15853 11.2036 48.9969 11.2022 -102.183 GPRESSURE: 808800 129.185 57.1112 35.2631 6.5375 -6.50259 2.58948 31.3871 47.4622 -26.9126 PRESSAVG: 808800 -0.529956 -32.194 4.31487 -32.194 18.6935 75.281 4.31492 75.281 9.77377 GPRESSAVG: 808800 -0.284942 -33.5361 3.18601 -31.1907 18.9169 74.7024 4.91526 73.8919 9.92003 TIMING: 808800 CPU: 2520.9, 0.0031143/step Wall: 2520.9, 0.0031143/step, 3.62574 hours remaining, 233.671875 MB of memory in use. ENERGY: 808800 3961.8750 20651.8763 14501.6137 237.0496 -203157.7766 2847.1317 0.0000 0.0000 52116.2661 -108841.9643 299.5129 -160958.2303 -108481.8743 299.3661 -1.6046 31.9232 765342.9154 9.3124 9.5173 PRESSURE: 809000 119.634 100.388 155.698 100.388 198.205 35.2919 155.698 35.2918 89.2447 GPRESSURE: 809000 244.163 121.632 -9.54282 75.4105 196.223 26.6002 338.7 -4.32732 57.7171 PRESSAVG: 809000 -6.32587 2.91901 -19.5429 2.91908 2.38421 33.9597 -19.5429 33.9598 -24.2581 GPRESSAVG: 809000 -6.63334 5.22898 -20.7081 0.0187984 2.31049 34.3784 -17.5222 34.8883 -23.8426 TIMING: 809000 CPU: 2521.53, 0.00311961/step Wall: 2521.53, 0.00311961/step, 3.63175 hours remaining, 233.671875 MB of memory in use. ENERGY: 809000 4003.9541 20570.8566 14555.8107 264.4844 -203232.9043 2856.3462 0.0000 0.0000 52137.8882 -108843.5641 299.6372 -160981.4523 -108477.2038 299.4419 135.6947 166.0343 765947.9504 -9.3999 -9.3885 PRESSURE: 809200 -135.754 77.3403 -284.42 77.3413 -146.251 -28.2366 -284.42 -28.2373 248.411 GPRESSURE: 809200 -137.401 144.031 -98.3461 77.6665 -45.2096 -143.691 -326.258 55.3649 221.159 PRESSAVG: 809200 -2.51596 53.7709 25.7416 53.7709 40.2194 7.61622 25.7416 7.61618 5.62946 GPRESSAVG: 809200 -3.00659 53.3866 26.6869 55.9854 40.0045 9.40504 23.6463 6.75422 5.84153 TIMING: 809200 CPU: 2522.15, 0.00310468/step Wall: 2522.15, 0.00310468/step, 3.61419 hours remaining, 233.671875 MB of memory in use. ENERGY: 809200 3937.1983 20522.4636 14482.0693 243.5157 -202977.7061 2438.8599 0.0000 0.0000 52329.6429 -109023.9565 300.7392 -161353.5994 -108648.1744 299.7636 -11.1980 12.8497 763802.4927 14.4443 14.2798 PRESSURE: 809400 192.227 -42.7745 -20.0873 -42.7744 -149.354 -182.59 -20.0864 -182.591 627.077 GPRESSURE: 809400 97.4608 -90.2463 15.614 -110.294 -49.6759 -238.863 -61.0823 -149.214 699.573 PRESSAVG: 809400 -3.41411 79.8434 25.728 79.8435 -13.4367 29.1212 25.7281 29.1213 25.3759 GPRESSAVG: 809400 -4.0853 79.7677 25.2766 79.0171 -12.2413 27.9923 23.5921 30.007 24.9485 TIMING: 809400 CPU: 2522.77, 0.00310182/step Wall: 2522.77, 0.00310182/step, 3.61069 hours remaining, 233.671875 MB of memory in use. ENERGY: 809400 4005.2243 20583.2998 14438.9090 236.8209 -203220.7798 2785.6455 0.0000 0.0000 52052.0782 -109118.8021 299.1440 -161170.8803 -108747.6371 299.1922 223.3165 249.1191 762017.6248 2.8417 2.8740 PRESSURE: 809600 -331.102 79.8035 -11.5974 79.8043 -187.117 -112.395 -11.5976 -112.395 222.149 GPRESSURE: 809600 -171.914 33.396 -58.3864 112.835 -207.46 -56.562 78.0209 -182.127 169.794 PRESSAVG: 809600 21.943 43.0537 -18.4893 43.0537 -49.741 -67.3495 -18.4893 -67.3496 0.887923 GPRESSAVG: 809600 23.7887 43.8245 -17.0336 42.3103 -51.1215 -67.8537 -17.5203 -69.9708 0.681273 TIMING: 809600 CPU: 2523.39, 0.00310057/step Wall: 2523.39, 0.00310057/step, 3.60906 hours remaining, 233.671875 MB of memory in use. ENERGY: 809600 4092.4680 20591.9273 14502.2975 235.5744 -203247.3915 2729.9355 0.0000 0.0000 51847.7939 -109247.3949 297.9700 -161095.1888 -108883.0921 299.2372 -98.6898 -69.8601 761515.1081 -8.9700 -8.8838 PRESSURE: 809800 -285.29 -128.693 173.955 -128.693 84.0914 -162.016 173.955 -162.017 -124.01 GPRESSURE: 809800 -188.227 -123.372 168.14 -97.2424 105.016 -206.437 180.16 -136.736 -146.582 PRESSAVG: 809800 12.8556 -24.4573 64.7025 -24.4573 5.23569 -13.8133 64.7025 -13.8133 -23.8678 GPRESSAVG: 809800 11.7967 -24.9142 63.2042 -25.6565 6.57614 -11.786 67.0405 -13.6736 -23.8012 TIMING: 809800 CPU: 2524.01, 0.00311408/step Wall: 2524.01, 0.00311408/step, 3.62461 hours remaining, 233.671875 MB of memory in use. ENERGY: 809800 3958.4279 20566.9797 14411.3483 255.0590 -202824.3420 2438.9887 0.0000 0.0000 52128.4699 -109065.0686 299.5830 -161193.5385 -108695.5606 298.7361 -108.4030 -76.5976 761321.8026 -1.9255 -1.8094 PRESSURE: 810000 -166.575 91.6442 36.6841 91.6448 -142.041 -300.561 36.6839 -300.56 -122.428 GPRESSURE: 810000 -144.977 155.079 34.8191 -51.5633 -95.495 -269.889 89.2101 -200.767 -95.4065 PRESSAVG: 810000 71.6926 -42.6904 47.2159 -42.6904 -22.9948 -24.2537 47.2159 -24.2537 12.6637 GPRESSAVG: 810000 71.8318 -40.8924 47.2262 -42.0132 -24.5841 -25.9523 45.4822 -22.1055 14.1928 TIMING: 810000 CPU: 2524.63, 0.00311941/step Wall: 2524.63, 0.00311941/step, 3.63065 hours remaining, 233.671875 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: 810000 4015.3884 20512.7685 14541.6831 248.2065 -202567.0010 2390.0734 0.0000 0.0000 52031.2915 -108827.5896 299.0245 -160858.8811 -108475.0331 299.5640 -143.6813 -111.9596 763115.2946 20.4538 20.4802 PRESSURE: 810200 90.7544 19.9228 -57.479 19.9234 -295.757 -47.369 -57.479 -47.3686 64.6061 GPRESSURE: 810200 68.6987 -37.614 -113.037 -19.0575 -171.952 -49.9409 -56.2635 -134.445 30.549 PRESSAVG: 810200 69.7141 -7.86279 -9.32511 -7.86278 -67.9598 18.7094 -9.32507 18.7094 16.5138 GPRESSAVG: 810200 69.3484 -7.90368 -9.44 -7.7981 -65.1582 17.3694 -10.8223 17.1397 13.9743 TIMING: 810200 CPU: 2525.26, 0.003111/step Wall: 2525.26, 0.003111/step, 3.62068 hours remaining, 233.671875 MB of memory in use. ENERGY: 810200 3920.0434 20533.0956 14404.9436 243.8234 -203015.0824 2553.9013 0.0000 0.0000 52476.3543 -108882.9208 301.5823 -161359.2751 -108504.9210 300.3256 -46.7989 -24.2349 763813.0233 6.0894 6.0548 PRESSURE: 810400 -293.293 -159.955 212.918 -159.954 -97.031 -44.502 212.917 -44.5028 248.094 GPRESSURE: 810400 -231.926 -147.024 239.762 -150.252 -69.4179 -82.3809 116.563 73.984 237.877 PRESSAVG: 810400 31.455 -17.7346 -8.71473 -17.7346 -24.2579 0.660727 -8.71474 0.660688 6.72425 GPRESSAVG: 810400 31.606 -19.732 -8.72539 -13.711 -25.0417 1.48602 -8.76377 0.84485 7.52467 TIMING: 810400 CPU: 2525.88, 0.00311828/step Wall: 2525.88, 0.00311828/step, 3.62898 hours remaining, 233.671875 MB of memory in use. ENERGY: 810400 3957.4442 20488.4578 14480.9381 250.1194 -203273.6456 2805.8497 0.0000 0.0000 52235.5517 -109055.2848 300.1984 -161290.8364 -108681.6130 299.4253 -47.4100 -21.1557 762274.2010 4.6405 4.6963 PRESSURE: 810600 211.809 131.803 110.599 131.803 -81.8628 279.129 110.6 279.129 -1.22649 GPRESSURE: 810600 235.673 145.217 47.5708 154.783 -7.3053 241.713 -13.5106 170.047 -4.98915 PRESSAVG: 810600 57.2913 42.4559 -9.17072 42.4559 -71.7585 -2.84357 -9.17074 -2.84361 -27.9945 GPRESSAVG: 810600 57.925 44.7121 -8.51238 38.779 -72.1545 -0.864895 -7.46288 -4.44579 -28.5948 TIMING: 810600 CPU: 2526.5, 0.00311844/step Wall: 2526.5, 0.00311844/step, 3.629 hours remaining, 233.671875 MB of memory in use. ENERGY: 810600 3900.2301 20550.8184 14446.9578 228.2415 -203016.0253 2754.0216 0.0000 0.0000 51939.3769 -109196.3790 298.4963 -161135.7559 -108824.1927 299.2243 42.9065 74.4596 763467.1376 -14.1539 -14.2748 PRESSURE: 810800 51.0576 100.476 -133.341 100.476 210.622 -17.5518 -133.341 -17.5515 43.08 GPRESSURE: 810800 9.03484 109.416 -59.1331 2.13515 217.162 23.4866 -16.772 -4.16605 179.854 PRESSAVG: 810800 63.5245 42.1552 11.4835 42.1551 -66.7208 -0.995603 11.4835 -0.995605 -7.77835 GPRESSAVG: 810800 62.7733 40.4103 12.9217 42.6359 -66.7584 -1.98727 10.841 0.426244 -7.22177 TIMING: 810800 CPU: 2527.13, 0.0031144/step Wall: 2527.13, 0.0031144/step, 3.62412 hours remaining, 233.671875 MB of memory in use. ENERGY: 810800 4073.9260 20520.9003 14587.9537 232.4312 -203529.7331 2984.7370 0.0000 0.0000 52018.9406 -109110.8443 298.9536 -161129.7849 -108757.0614 298.9788 101.5865 135.3502 761332.0256 -3.6582 -3.7356 PRESSURE: 811000 -121.132 -1.41847 -80.4307 -1.41845 246.124 -107.283 -80.43 -107.283 -450.001 GPRESSURE: 811000 -95.9101 57.1139 -21.1865 87.3353 264.82 -109.795 -39.0824 -98.1532 -390.995 PRESSAVG: 811000 -10.5361 -31.99 -9.73926 -31.9901 19.1722 29.3843 -9.7392 29.3842 -3.8914 GPRESSAVG: 811000 -10.0614 -31.4348 -10.22 -31.5809 20.1362 29.9351 -9.31995 29.7964 -4.79517 TIMING: 811000 CPU: 2527.75, 0.00310611/step Wall: 2527.75, 0.00310611/step, 3.61431 hours remaining, 233.671875 MB of memory in use. ENERGY: 811000 4048.0852 20410.2914 14565.4152 228.1322 -203466.5551 3167.3006 0.0000 0.0000 52119.6233 -108927.7071 299.5322 -161047.3305 -108559.8486 299.4398 -108.3365 -74.0285 764731.9190 1.5816 1.7599 PRESSURE: 811200 234.375 -31.9075 98.1173 -31.9072 -226.007 -120.201 98.1172 -120.201 184.933 GPRESSURE: 811200 212.516 152.536 83.802 -62.0268 -109.177 -182.96 -32.695 9.95686 178.741 PRESSAVG: 811200 -24.8644 66.1687 70.8567 66.1687 35.4556 -4.27244 70.8568 -4.27247 -9.57906 GPRESSAVG: 811200 -25.3356 67.1262 70.2016 64.3514 34.7982 -5.20267 69.1202 -4.92637 -8.49304 TIMING: 811200 CPU: 2528.37, 0.00310635/step Wall: 2528.37, 0.00310635/step, 3.61441 hours remaining, 233.671875 MB of memory in use. ENERGY: 811200 3895.5026 20502.7192 14524.5189 254.0934 -203550.8439 3059.9084 0.0000 0.0000 52306.9772 -109007.1241 300.6089 -161314.1013 -108649.7200 299.4080 64.4337 94.0268 764122.1018 0.3374 0.3232 PRESSURE: 811400 -112.598 -146.651 56.7614 -146.651 -424.549 25.5744 56.7611 25.5735 -71.3749 GPRESSURE: 811400 -44.7971 -99.2665 87.7345 -141.277 -417.611 39.7139 13.2521 98.0459 -69.8788 PRESSAVG: 811400 28.6695 47.5793 44.8334 47.5793 0.5063 -13.9188 44.8334 -13.9188 6.99677 GPRESSAVG: 811400 29.6003 46.8765 45.9176 50.3487 0.104729 -12.5254 45.4101 -13.0472 6.87875 TIMING: 811400 CPU: 2528.99, 0.00311318/step Wall: 2528.99, 0.00311318/step, 3.62218 hours remaining, 233.671875 MB of memory in use. ENERGY: 811400 3999.4022 20515.8640 14395.8653 225.2591 -203217.8749 2794.6624 0.0000 0.0000 52094.5414 -109192.2805 299.3880 -161286.8220 -108828.7782 299.1011 -202.8409 -177.4288 765170.1248 12.0575 12.1946 PRESSURE: 811600 -16.4452 -104.575 256.368 -104.575 125.631 37.2369 256.368 37.2382 181.918 GPRESSURE: 811600 39.8964 -202.879 181.916 -151.744 151.371 11.2866 324.768 96.4568 173.305 PRESSAVG: 811600 -20.5554 26.928 34.6532 26.928 -18.2679 45.6107 34.6532 45.6107 -13.3041 GPRESSAVG: 811600 -21.1635 27.6552 33.12 24.0356 -18.6035 45.0433 35.2848 44.0078 -12.6303 TIMING: 811600 CPU: 2529.61, 0.00310794/step Wall: 2529.61, 0.00310794/step, 3.61592 hours remaining, 233.671875 MB of memory in use. ENERGY: 811600 3951.0086 20491.5188 14578.6754 254.1711 -203686.4850 3212.7630 0.0000 0.0000 52087.8719 -109110.4762 299.3497 -161198.3481 -108750.4186 298.8450 97.0345 121.5241 763439.6042 -17.3758 -17.4658 PRESSURE: 811800 -169.856 12.8512 30.3442 12.8524 -367.056 -94.7902 30.343 -94.7899 5.16944 GPRESSURE: 811800 -139.587 84.2533 100.376 -9.16841 -318.02 -150.986 47.8968 -82.7013 21.3927 PRESSAVG: 811800 -2.63276 -17.629 9.24782 -17.629 30.0117 15.2813 9.24775 15.2814 23.1639 GPRESSAVG: 811800 -2.61524 -17.5371 8.38327 -14.1579 31.4139 15.8929 8.78623 16.8263 21.9102 TIMING: 811800 CPU: 2530.23, 0.00309705/step Wall: 2530.23, 0.00309705/step, 3.60308 hours remaining, 233.671875 MB of memory in use. ENERGY: 811800 4029.5019 20465.8993 14498.5794 228.2568 -203493.0834 2910.3165 0.0000 0.0000 52211.9964 -109148.5331 300.0631 -161360.5295 -108790.8754 298.9937 -177.2475 -145.4047 764258.1319 16.8476 16.9030 PRESSURE: 812000 -634.713 100.932 -266.348 100.931 -104.983 -138.742 -266.348 -138.742 -330.203 GPRESSURE: 812000 -611.337 42.8859 -218.909 4.136 -187.842 -170.735 -317.331 -114.671 -199.108 PRESSAVG: 812000 -54.2291 24.6294 -71.2906 24.6294 67.6822 28.9979 -71.2906 28.998 -4.32411 GPRESSAVG: 812000 -54.4082 25.5066 -70.8163 21.0834 67.87 27.8716 -69.9009 26.997 -3.90397 TIMING: 812000 CPU: 2530.85, 0.00310612/step Wall: 2530.85, 0.00310612/step, 3.61345 hours remaining, 233.671875 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: 812000 3999.4957 20415.3411 14466.6697 265.6312 -203038.8980 2574.8445 0.0000 0.0000 52236.2564 -109080.6594 300.2025 -161316.9157 -108722.6887 299.4946 -356.6328 -332.7624 763932.2775 3.0430 3.1859 PRESSURE: 812200 -106.678 21.0748 183.043 21.0739 -159.491 -149.824 183.043 -149.824 -32.6257 GPRESSURE: 812200 -9.83415 12.8667 127.479 -46.023 -143.858 -121.701 306.732 -232.536 -70.4285 PRESSAVG: 812200 66.1042 -4.15863 16.1742 -4.15861 -12.1848 -19.9665 16.1741 -19.9664 -2.05111 GPRESSAVG: 812200 67.3833 -4.30047 16.3861 -1.75866 -12.8154 -20.7218 16.4752 -18.1809 -3.39225 TIMING: 812200 CPU: 2531.48, 0.00312843/step Wall: 2531.48, 0.00312843/step, 3.63924 hours remaining, 233.671875 MB of memory in use. ENERGY: 812200 3966.8456 20629.5734 14416.1532 243.1429 -202864.7462 2376.5690 0.0000 0.0000 51985.8251 -109246.6371 298.7633 -161232.4622 -108891.1122 298.4086 -99.5981 -74.7069 762884.0450 17.2894 17.0585 LDB: ============= START OF LOAD BALANCING ============== 2543.96 LDB: ============== END OF LOAD BALANCING =============== 2543.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2543.96 LDB: ============= START OF LOAD BALANCING ============== 2544.27 LDB: Largest compute 6972 load 0.032204 is 16.5% of average load 0.194985 LDB: Average compute 0.004380 is 2.2% of average load 0.194985 LDB: TIME 2544.28 LOAD: AVG 0.194985 MAX 0.215731 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.953 MB LDB: TIME 2544.28 LOAD: AVG 0.194985 MAX 0.215731 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.953 MB LDB: TIME 2544.28 LOAD: AVG 0.194985 MAX 0.215731 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.953 MB LDB: ============== END OF LOAD BALANCING =============== 2544.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2544.28 PRESSURE: 812400 12.0848 206.342 -16.9767 206.341 -123.894 68.6004 -16.9765 68.6008 186.454 GPRESSURE: 812400 2.33754 215.961 35.6799 276.048 -36.1108 133.457 -45.6254 64.2855 198.333 PRESSAVG: 812400 39.941 13.7094 -1.94275 13.7094 -70.0824 -7.2213 -1.9427 -7.22128 -0.352925 GPRESSAVG: 812400 38.1801 13.6971 -2.2188 14.8676 -69.9013 -7.47912 -2.88667 -7.61823 1.26008 TIMING: 812400 CPU: 2532.12, 0.00319149/step Wall: 2532.12, 0.00319149/step, 3.71242 hours remaining, 235.078125 MB of memory in use. ENERGY: 812400 4044.6803 20514.8393 14494.1827 233.3827 -203223.2424 2723.7921 0.0000 0.0000 52013.7990 -109198.5663 298.9240 -161212.3653 -108841.8948 298.7961 24.8817 54.8532 761788.5580 -10.1648 -10.1537 PRESSURE: 812600 -299.652 -88.5824 -167.097 -88.5822 -431.978 126.394 -167.098 126.394 118.664 GPRESSURE: 812600 -388.361 63.462 -85.3824 -35.016 -245.699 206.73 -174.365 140.726 117.416 PRESSAVG: 812600 36.3352 61.7481 -53.2796 61.7482 -67.8127 81.4227 -53.2795 81.4227 -1.67238 GPRESSAVG: 812600 37.4505 59.2415 -51.4023 61.2943 -67.5423 83.2581 -54.5022 83.0645 -2.94558 TIMING: 812600 CPU: 2532.74, 0.00312554/step Wall: 2532.74, 0.00312554/step, 3.63552 hours remaining, 235.078125 MB of memory in use. ENERGY: 812600 3932.6620 20510.2670 14516.7560 246.5255 -203338.6634 2853.8861 0.0000 0.0000 52376.5124 -108902.0544 301.0085 -161278.5667 -108534.9510 299.4105 -204.3220 -172.2148 760776.0853 -11.0500 -11.0125 PRESSURE: 812800 106.741 -102.741 -2.29893 -102.741 66.2263 16.6857 -2.29949 16.6864 396.314 GPRESSURE: 812800 177.728 -53.7968 -67.3271 -111.54 100.479 -35.7265 9.39755 -55.17 374.997 PRESSAVG: 812800 -29.2326 -13.1793 -49.0126 -13.1792 -15.0885 -1.83849 -49.0127 -1.83843 -19.5747 GPRESSAVG: 812800 -30.8704 -12.7783 -49.8866 -14.0401 -15.0944 -2.63868 -48.055 -4.24734 -18.2843 TIMING: 812800 CPU: 2533.37, 0.00310783/step Wall: 2533.37, 0.00310783/step, 3.61475 hours remaining, 235.078125 MB of memory in use. ENERGY: 812800 3999.2496 20625.9187 14481.5247 231.3324 -203035.2478 2545.9108 0.0000 0.0000 52241.6715 -108909.6401 300.2336 -161151.3116 -108542.7076 299.7462 189.7604 217.7350 762612.1121 -21.2986 -21.4164 PRESSURE: 813000 -155.486 210.258 -143.015 210.258 225.121 66.8462 -143.014 66.8455 -52.8952 GPRESSURE: 813000 -130.911 155.861 -115.746 146.632 235.208 35.3698 -171.179 55.9523 10.5416 PRESSAVG: 813000 3.56742 -42.1248 -20.5163 -42.1247 26.221 -16.2416 -20.5163 -16.2416 -24.5209 GPRESSAVG: 813000 3.92985 -40.0864 -21.3461 -42.7192 26.1891 -16.8756 -19.5344 -16.652 -24.6039 TIMING: 813000 CPU: 2533.99, 0.00310798/step Wall: 2533.99, 0.00310798/step, 3.61475 hours remaining, 235.078125 MB of memory in use. ENERGY: 813000 3961.9494 20428.7012 14555.5034 238.1576 -203497.7896 2924.2636 0.0000 0.0000 52034.1403 -109355.0741 299.0409 -161389.2144 -108993.3659 298.7880 5.5798 38.2793 761053.8703 1.7559 1.8384 PRESSURE: 813200 209.273 -102.301 122.018 -102.302 343.295 192.709 122.018 192.709 -91.835 GPRESSURE: 813200 195.842 -77.5716 169.979 -45.6005 401.991 176.951 58.0748 143.222 -62.121 PRESSAVG: 813200 -2.67791 -5.14327 4.47878 -5.14328 45.1784 -11.2178 4.47875 -11.2177 23.3823 GPRESSAVG: 813200 -2.68177 -5.82289 3.96126 -1.84267 45.0228 -11.067 4.29952 -9.23266 23.0439 TIMING: 813200 CPU: 2534.61, 0.00310415/step Wall: 2534.61, 0.00310415/step, 3.61012 hours remaining, 235.078125 MB of memory in use. ENERGY: 813200 3979.0055 20505.6197 14509.6859 222.2943 -203563.6837 2943.3278 0.0000 0.0000 52013.2211 -109390.5294 298.9207 -161403.7505 -109036.0628 298.1940 153.5777 178.5707 762209.3868 21.9610 21.7950 PRESSURE: 813400 124.891 -110.417 127.891 -110.415 -147.169 107.195 127.891 107.195 87.4374 GPRESSURE: 813400 140.448 -48.3393 163.051 -72.7457 -76.5396 126.638 99.8858 29.3688 87.4176 PRESSAVG: 813400 30.1978 11.1134 -13.9835 11.1135 -8.16696 41.2453 -13.9834 41.2453 5.12107 GPRESSAVG: 813400 30.0377 10.4524 -13.645 10.1448 -7.88588 40.0929 -14.5424 43.0113 5.31132 TIMING: 813400 CPU: 2535.23, 0.00310919/step Wall: 2535.23, 0.00310919/step, 3.61581 hours remaining, 235.078125 MB of memory in use. ENERGY: 813400 4034.2606 20467.7284 14490.7992 251.1108 -203745.1029 3008.5107 0.0000 0.0000 52312.7968 -109179.8965 300.6424 -161492.6932 -108812.5361 299.0286 21.7201 50.4421 762316.3087 9.0506 9.1544 PRESSURE: 813600 -478.156 -44.8761 -47.1625 -44.8758 -4.07122 -177.161 -47.1626 -177.16 -399.118 GPRESSURE: 813600 -355.828 -19.2142 -64.6347 74.7902 -33.0048 -16.3818 -22.1274 -87.2276 -397.481 PRESSAVG: 813600 -5.32466 -52.939 -18.6542 -52.939 1.66225 11.2252 -18.6542 11.2252 -0.747933 GPRESSAVG: 813600 -4.88787 -51.0045 -18.2825 -53.506 0.914197 13.5922 -18.7171 9.51909 -0.902754 TIMING: 813600 CPU: 2535.85, 0.00310895/step Wall: 2535.85, 0.00310895/step, 3.61536 hours remaining, 235.078125 MB of memory in use. ENERGY: 813600 4023.4405 20492.9931 14414.7151 242.4600 -203127.5646 2757.4534 0.0000 0.0000 51950.8831 -109245.6193 298.5624 -161196.5024 -108882.6010 299.0778 -293.7817 -262.1046 764215.7937 -1.4701 -1.6255 PRESSURE: 813800 -174.188 85.0367 12.0971 85.0365 116.901 -64.1974 12.0976 -64.1971 211.939 GPRESSURE: 813800 -145.468 58.1366 13.9485 25.0026 95.8974 -47.7482 77.616 -50.5493 286.588 PRESSAVG: 813800 -15.5163 2.29228 -2.54879 2.29232 3.52378 7.43247 -2.54875 7.43243 -9.70616 GPRESSAVG: 813800 -14.9537 2.48019 -1.95455 0.707863 4.14899 6.21374 -4.02926 6.70465 -11.1974 TIMING: 813800 CPU: 2536.47, 0.00309828/step Wall: 2536.47, 0.00309828/step, 3.60278 hours remaining, 235.078125 MB of memory in use. ENERGY: 813800 4020.8373 20514.5825 14489.8436 242.7464 -203256.8761 2888.9947 0.0000 0.0000 52184.8118 -108915.0597 299.9068 -161099.8716 -108553.8116 299.1194 51.5505 79.0060 762628.5157 -7.2329 -7.3340 PRESSURE: 814000 -51.6111 165.251 -96.3407 165.252 84.4463 -55.9504 -96.3406 -55.9502 111.832 GPRESSURE: 814000 -70.8073 119.96 -101.894 15.4243 156.767 23.1209 25.2981 -40.5508 150.626 PRESSAVG: 814000 41.9363 4.35271 -4.93448 4.35264 -36.2417 22.1805 -4.93454 22.1805 27.3209 GPRESSAVG: 814000 41.381 4.70201 -4.75449 4.7241 -37.0858 22.4195 -3.213 23.3059 29.1319 TIMING: 814000 CPU: 2537.09, 0.00309032/step Wall: 2537.09, 0.00309032/step, 3.59336 hours remaining, 235.078125 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: 814000 3956.1866 20565.3188 14471.8105 237.2234 -203345.6471 3001.0029 0.0000 0.0000 52026.6363 -109087.4686 298.9978 -161114.1049 -108725.3358 299.2799 48.2224 78.8620 763801.7866 11.0052 11.1424 PRESSURE: 814200 117.865 190.252 31.4692 190.252 213.524 -8.24507 31.4687 -8.24546 371.853 GPRESSURE: 814200 186.278 104.94 -48.1434 300.804 256.871 -3.22265 -8.91321 -5.24549 338.127 PRESSAVG: 814200 -10.6088 27.9434 10.5102 27.9434 -14.8939 6.63707 10.5102 6.63712 21.2164 GPRESSAVG: 814200 -9.59038 26.9437 8.82374 29.2861 -15.1426 8.10863 10.5729 6.26286 20.4903 TIMING: 814200 CPU: 2537.71, 0.003097/step Wall: 2537.71, 0.003097/step, 3.60095 hours remaining, 235.078125 MB of memory in use. ENERGY: 814200 3984.1098 20659.9179 14478.2422 255.9508 -203374.5042 2962.3298 0.0000 0.0000 51779.9037 -109254.0499 297.5798 -161033.9536 -108905.9383 298.8671 234.4141 260.4253 763270.1798 -1.4288 -1.4142 PRESSURE: 814400 73.0698 110.278 -10.3149 110.278 -125.579 -227.64 -10.3158 -227.64 -106.914 GPRESSURE: 814400 134.169 30.1933 5.87141 -71.9183 -127.702 -199.37 107.143 -150 -89.9871 PRESSAVG: 814400 4.79522 9.38443 -17.0668 9.38448 -13.3788 -38.5431 -17.0668 -38.5431 4.56003 GPRESSAVG: 814400 5.11882 8.53577 -15.6487 8.94788 -13.4886 -39.9061 -18.5168 -38.5642 3.40268 TIMING: 814400 CPU: 2538.33, 0.00311645/step Wall: 2538.33, 0.00311645/step, 3.6234 hours remaining, 235.078125 MB of memory in use. ENERGY: 814400 3947.9612 20374.9054 14484.0580 245.2094 -203391.3182 2992.6593 0.0000 0.0000 51955.6531 -109390.8718 298.5899 -161346.5249 -109021.3342 298.3885 -53.1412 -27.8400 762824.9628 -1.3412 -1.6557 PRESSURE: 814600 252.909 -53.3925 89.5892 -53.3919 -367.538 108.861 89.5879 108.861 -161.993 GPRESSURE: 814600 140.185 -56.5664 45.9565 -26.9844 -212.702 70.7557 22.7421 96.1886 -134.766 PRESSAVG: 814600 58.2814 -3.31002 -39.11 -3.31004 -6.43499 19.1528 -39.1101 19.1529 11.8082 GPRESSAVG: 814600 56.3515 -1.75836 -39.7908 -7.00643 -6.48183 19.9126 -39.248 16.9289 13.8413 TIMING: 814600 CPU: 2538.96, 0.00312343/step Wall: 2538.96, 0.00312343/step, 3.63133 hours remaining, 235.078125 MB of memory in use. ENERGY: 814600 3957.7430 20595.1330 14432.2521 254.1024 -203491.4416 2971.3451 0.0000 0.0000 52098.1691 -109182.6969 299.4089 -161280.8660 -108821.0089 298.5409 -92.2075 -69.0944 763780.2834 21.2182 21.2370 PRESSURE: 814800 163.49 43.6596 -74.5589 43.6598 -249.666 -19.7152 -74.5596 -19.716 -82.9907 GPRESSURE: 814800 189.145 81.7371 -14.5003 -7.61787 -194.61 -58.4554 -79.3726 20.9215 -71.2819 PRESSAVG: 814800 23.9244 -19.6216 32.752 -19.6216 -0.202872 2.04883 32.7519 2.04891 21.0566 GPRESSAVG: 814800 24.0502 -21.453 34.0903 -15.894 0.560008 1.06541 34.0561 1.98808 19.9696 TIMING: 814800 CPU: 2539.58, 0.00310612/step Wall: 2539.58, 0.00310612/step, 3.61103 hours remaining, 235.078125 MB of memory in use. ENERGY: 814800 4051.6492 20494.6688 14496.6415 243.0421 -203337.9999 2796.0643 0.0000 0.0000 52156.6396 -109099.2944 299.7449 -161255.9340 -108742.2573 298.8187 -56.3888 -25.5823 764133.8511 14.9260 14.8599 PRESSURE: 815000 106.794 150.481 143.009 150.481 -174.059 -185.972 143.01 -185.972 104.632 GPRESSURE: 815000 107.204 65.4328 48.9354 170.698 -101.569 -180.364 195.714 -110.155 95.2144 PRESSAVG: 815000 -20.5163 -21.9283 -20.3485 -21.9283 28.883 -46.5224 -20.3485 -46.5223 -20.5899 GPRESSAVG: 815000 -19.9909 -21.2752 -22.602 -23.6266 28.2454 -46.1036 -18.191 -46.7686 -21.2248 TIMING: 815000 CPU: 2540.2, 0.00311772/step Wall: 2540.2, 0.00311772/step, 3.62435 hours remaining, 235.078125 MB of memory in use. ENERGY: 815000 3993.8540 20461.9932 14500.8046 270.9464 -203425.5661 2935.9810 0.0000 0.0000 52219.4222 -109042.5647 300.1057 -161261.9869 -108673.5211 299.3342 12.4556 33.6164 762468.5041 -4.0744 -4.3234 PRESSURE: 815200 -288.786 -141.609 167.673 -141.609 -236.782 -19.0656 167.673 -19.0652 78.4591 GPRESSURE: 815200 -224.454 -45.2327 171.636 -162.543 -270.023 62.1348 182.077 -37.3024 121.525 PRESSAVG: 815200 55.9251 17.2203 -71.0814 17.2202 -9.8365 -46.8598 -71.0814 -46.8599 13.5832 GPRESSAVG: 815200 55.3186 18.12 -70.2682 18.1409 -8.82612 -45.9597 -73.1279 -45.6015 13.1893 TIMING: 815200 CPU: 2540.82, 0.00311487/step Wall: 2540.82, 0.00311487/step, 3.62086 hours remaining, 235.078125 MB of memory in use. ENERGY: 815200 3999.9753 20586.1243 14515.0837 245.1930 -203098.0895 2888.1639 0.0000 0.0000 51610.3674 -109253.1819 296.6055 -160863.5493 -108896.2065 298.6074 -149.0364 -124.3173 764413.7595 19.8906 19.8939 PRESSURE: 815400 -147.05 -132.548 278.014 -132.548 -408.716 -53.6672 278.013 -53.6668 -105.636 GPRESSURE: 815400 -25.4579 -153.105 241.573 -194.539 -419.417 -70.5159 189.743 -6.44256 -122.035 PRESSAVG: 815400 -14.6528 -25.2564 -38.1639 -25.2565 -27.0615 -65.2873 -38.1639 -65.2872 -26.9427 GPRESSAVG: 815400 -13.234 -28.2106 -39.3447 -24.4432 -29.067 -66.5565 -38.627 -64.8528 -25.9566 TIMING: 815400 CPU: 2541.45, 0.00311575/step Wall: 2541.45, 0.00311575/step, 3.62172 hours remaining, 235.078125 MB of memory in use. ENERGY: 815400 3970.8733 20388.9781 14543.4850 255.3036 -203296.2766 2682.5558 0.0000 0.0000 52232.0342 -109223.0465 300.1782 -161455.0807 -108858.1229 298.2657 -220.4675 -188.9699 762808.4219 -22.8857 -22.7525 PRESSURE: 815600 -11.2711 -268.06 -69.8083 -268.06 104.591 108.416 -69.8078 108.416 -73.19 GPRESSURE: 815600 136.236 -167.313 -72.5329 -184.55 24.2804 117.209 -37.058 162.974 -68.2045 PRESSAVG: 815600 17.8626 71.5694 -40.0308 71.5694 -11.9936 23.0642 -40.0308 23.0642 -15.387 GPRESSAVG: 815600 17.175 72.3822 -39.9664 70.3547 -11.2973 24.8102 -40.5492 22.442 -15.54 TIMING: 815600 CPU: 2542.07, 0.00310435/step Wall: 2542.07, 0.00310435/step, 3.60829 hours remaining, 235.078125 MB of memory in use. ENERGY: 815600 3904.5014 20471.6532 14472.4727 258.3795 -203125.5965 2856.3664 0.0000 0.0000 52241.9446 -108920.2787 300.2352 -161162.2233 -108545.4992 299.3857 6.7100 30.7706 763720.9531 -3.1727 -3.2207 PRESSURE: 815800 -61.9141 25.1956 -263.298 25.1966 96.0612 9.18967 -263.297 9.18862 -264.693 GPRESSURE: 815800 -109.707 87.029 -304.238 89.6291 152.933 22.4409 -151.508 -42.8016 -179.099 PRESSAVG: 815800 3.66321 21.7705 -55.3593 21.7705 -1.30925 8.43818 -55.3593 8.43814 9.54877 GPRESSAVG: 815800 2.77194 22.197 -54.8836 22.1928 -1.25247 6.92928 -54.7625 8.27061 9.78442 TIMING: 815800 CPU: 2542.69, 0.00312139/step Wall: 2542.69, 0.00312139/step, 3.62793 hours remaining, 235.078125 MB of memory in use. ENERGY: 815800 3955.2546 20675.8594 14477.4475 232.5419 -202684.4796 2676.5211 0.0000 0.0000 51890.7600 -108776.0951 298.2169 -160666.8551 -108420.4591 299.3239 -76.8488 -45.2909 763819.3330 3.9676 3.7680 PRESSURE: 816000 -327.361 -66.609 287.984 -66.6083 -119.928 12.264 287.984 12.2647 -101.528 GPRESSURE: 816000 -303.912 -199.381 244.797 -133.536 -98.3123 -17.238 259.677 -30.3191 -87.5787 PRESSAVG: 816000 -60.3842 15.0057 -35.7471 15.0057 27.7098 -42.6877 -35.747 -42.6877 22.7854 GPRESSAVG: 816000 -60.0826 13.618 -34.8761 13.6515 28.0466 -41.0588 -39.0099 -43.6603 22.3577 TIMING: 816000 CPU: 2543.32, 0.00311746/step Wall: 2543.32, 0.00311746/step, 3.62318 hours remaining, 235.078125 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: 816000 3983.7470 20668.6658 14469.8044 243.8329 -203644.5290 3129.6453 0.0000 0.0000 52177.3715 -108971.4620 299.8641 -161148.8336 -108613.8941 299.5754 -182.9391 -163.2677 764245.0837 -3.2964 -3.2261 PRESSURE: 816200 -16.5668 0.782115 154.796 0.783328 -22.2282 -5.54844 154.795 -5.54873 -357.463 GPRESSURE: 816200 -5.97361 -24.3435 107.588 -74.6199 43.0443 16.4411 102.691 -77.4515 -349.675 PRESSAVG: 816200 20.357 -8.74245 -3.92678 -8.74244 33.9042 -22.897 -3.92681 -22.897 17.1798 GPRESSAVG: 816200 21.1241 -6.98496 -4.41928 -8.3988 33.394 -25.6293 -1.34838 -22.2521 16.8975 TIMING: 816200 CPU: 2543.94, 0.00311242/step Wall: 2543.94, 0.00311242/step, 3.61715 hours remaining, 235.078125 MB of memory in use. ENERGY: 816200 3930.3286 20350.0309 14535.4044 254.7995 -203249.9453 2898.5019 0.0000 0.0000 52026.5116 -109254.3685 298.9971 -161280.8801 -108888.9313 298.9353 -132.0860 -104.2013 763001.3632 23.8137 23.8052 LDB: ============= START OF LOAD BALANCING ============== 2556.41 LDB: ============== END OF LOAD BALANCING =============== 2556.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2556.42 LDB: ============= START OF LOAD BALANCING ============== 2556.73 LDB: Largest compute 7052 load 0.029861 is 15.3% of average load 0.195069 LDB: Average compute 0.004390 is 2.3% of average load 0.195069 LDB: TIME 2556.73 LOAD: AVG 0.195069 MAX 0.21254 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.777 MB LDB: TIME 2556.73 LOAD: AVG 0.195069 MAX 0.21254 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.844 MB LDB: TIME 2556.73 LOAD: AVG 0.195069 MAX 0.21254 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.844 MB LDB: ============== END OF LOAD BALANCING =============== 2556.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2556.74 PRESSURE: 816400 100.617 93.3699 188.9 93.3691 -135.516 220.823 188.901 220.822 -38.5117 GPRESSURE: 816400 192.316 83.8314 138.468 -26.8951 -189.425 240.166 221.24 252.135 6.09714 PRESSAVG: 816400 8.50427 -12.6871 10.0454 -12.6871 -9.02999 26.413 10.0455 26.413 -2.79338 GPRESSAVG: 816400 8.22047 -12.0144 10.2846 -11.3321 -9.82053 27.1639 8.69167 28.1006 -2.24497 TIMING: 816400 CPU: 2544.57, 0.00317109/step Wall: 2544.57, 0.00317109/step, 3.68516 hours remaining, 234.109375 MB of memory in use. ENERGY: 816400 4045.5166 20403.8857 14546.0920 226.4995 -203499.5437 2917.6999 0.0000 0.0000 52158.0871 -109201.7629 299.7532 -161359.8500 -108854.1205 298.8412 -24.4702 2.9958 762557.5378 -1.1064 -1.2817 PRESSURE: 816600 -373.933 4.86932 -75.6505 4.86977 -132.751 170.522 -75.6497 170.522 -317.344 GPRESSURE: 816600 -382.947 -30.9876 -102.458 49.2049 -116.619 201.138 -129.731 202.946 -232.304 PRESSAVG: 816600 49.7296 14.3884 -9.53589 14.3884 -20.8913 68.7985 -9.53587 68.7985 -4.4393 GPRESSAVG: 816600 49.2386 14.7385 -9.81848 12.3384 -20.4353 68.9758 -9.98771 67.366 -4.25422 TIMING: 816600 CPU: 2545.19, 0.00310418/step Wall: 2545.19, 0.00310418/step, 3.60723 hours remaining, 234.109375 MB of memory in use. ENERGY: 816600 3960.1518 20354.2710 14410.7268 248.8200 -202647.2105 2454.6107 0.0000 0.0000 51919.5902 -109299.0399 298.3826 -161218.6301 -108937.8748 298.3804 -274.6761 -243.9568 765396.6423 8.1330 8.1830 PRESSURE: 816800 -49.2486 194.191 149.677 194.191 48.7849 34.2634 149.678 34.2642 -51.5324 GPRESSURE: 816800 -46.5066 208.312 141.195 204.98 69.455 44.1454 102.057 -57.1609 20.9654 PRESSAVG: 816800 34.7305 -20.2605 -51.8714 -20.2605 -33.4034 60.3881 -51.8713 60.3882 -4.03154 GPRESSAVG: 816800 35.505 -20.3786 -53.1396 -18.529 -33.9557 59.953 -52.8599 60.2651 -4.47623 TIMING: 816800 CPU: 2545.81, 0.00310461/step Wall: 2545.81, 0.00310461/step, 3.60756 hours remaining, 234.109375 MB of memory in use. ENERGY: 816800 4005.8826 20419.3545 14405.4906 222.6812 -203371.4299 2834.9146 0.0000 0.0000 51964.7884 -109518.3181 298.6424 -161483.1065 -109158.2854 298.3976 -17.3320 14.6379 763381.7198 -0.9015 -0.9756 PRESSURE: 817000 192.601 195.83 -9.6515 195.831 123.541 162.614 -9.65124 162.614 136.749 GPRESSURE: 817000 225.65 219.45 -33.4128 203.362 166.639 188.195 -35.5006 162.628 141.592 PRESSAVG: 817000 -16.362 36.7966 -14.5417 36.7965 44.2403 27.8871 -14.5417 27.8871 7.97637 GPRESSAVG: 817000 -17.3045 35.5628 -13.2814 36.0226 44.9334 27.97 -12.3621 27.9217 8.36422 TIMING: 817000 CPU: 2546.43, 0.00308823/step Wall: 2546.43, 0.00308823/step, 3.58835 hours remaining, 234.109375 MB of memory in use. ENERGY: 817000 3933.4103 20376.8118 14404.9776 246.2582 -203214.7213 2858.2322 0.0000 0.0000 52166.9640 -109228.0672 299.8043 -161395.0312 -108860.6740 298.1748 150.9638 177.9600 762155.9224 11.9515 11.9977 PRESSURE: 817200 27.8491 -38.2279 -60.8693 -38.2272 -170.375 154.906 -60.8711 154.907 -182.758 GPRESSURE: 817200 41.923 -75.2455 -75.9934 -23.0106 -108.484 86.4389 -159.558 90.6913 -175.241 PRESSAVG: 817200 73.921 -25.636 7.19476 -25.636 12.1006 -56.1002 7.19477 -56.1001 -15.1918 GPRESSAVG: 817200 74.8071 -26.5545 7.27323 -25.0956 10.4162 -55.5273 5.25106 -54.8044 -14.5502 TIMING: 817200 CPU: 2547.05, 0.00311184/step Wall: 2547.05, 0.00311184/step, 3.61562 hours remaining, 234.109375 MB of memory in use. ENERGY: 817200 4014.8596 20374.9017 14537.8937 225.6440 -203177.9372 2931.1246 0.0000 0.0000 51892.8966 -109200.6171 298.2292 -161093.5137 -108840.2366 298.8025 -108.4279 -80.6006 763857.7962 23.6099 23.5577 PRESSURE: 817400 534.786 -53.1063 -16.9199 -53.1064 -54.4871 -100.352 -16.9206 -100.351 369.461 GPRESSURE: 817400 608.954 -71.8623 -22.8496 34.9757 -47.8875 -80.4801 -5.96531 -113.874 363.826 PRESSAVG: 817400 48.8724 12.9273 7.88432 12.9273 -26.9332 20.4381 7.88427 20.4379 1.83273 GPRESSAVG: 817400 47.5739 12.1519 7.70614 13.0404 -25.564 21.6335 8.74474 19.2069 1.82377 TIMING: 817400 CPU: 2547.68, 0.00310937/step Wall: 2547.68, 0.00310937/step, 3.61257 hours remaining, 234.109375 MB of memory in use. ENERGY: 817400 3988.9341 20580.0736 14469.4021 252.5496 -203460.9123 3322.2453 0.0000 0.0000 51808.3033 -109039.4043 297.7430 -160847.7076 -108691.0218 298.7963 283.2531 308.2975 763235.2429 7.9240 7.9446 PRESSURE: 817600 498.005 -5.88993 -117.665 -5.88983 321.737 269.607 -117.666 269.607 158.614 GPRESSURE: 817600 404.032 -50.2953 -88.8642 -97.0456 475.433 161.41 -137.701 215.237 174.964 PRESSAVG: 817600 26.2248 19.2121 57.4882 19.2121 -16.9321 -8.88594 57.4883 -8.88593 0.453503 GPRESSAVG: 817600 27.1451 20.7557 58.9468 20.4025 -17.7062 -9.05435 57.3937 -9.43462 0.0403715 TIMING: 817600 CPU: 2548.3, 0.0031233/step Wall: 2548.3, 0.0031233/step, 3.62858 hours remaining, 234.109375 MB of memory in use. ENERGY: 817600 4006.9218 20466.9933 14529.8310 245.0609 -203921.4467 3510.9762 0.0000 0.0000 52028.1058 -109133.5578 299.0062 -161161.6635 -108770.9558 299.0285 326.1184 351.4763 763187.3438 3.2488 3.1598 PRESSURE: 817800 -83.5096 -37.1197 83.1208 -37.1199 -57.8551 -124.8 83.1211 -124.799 166.874 GPRESSURE: 817800 -93.7769 21.2046 70.0702 40.6363 34.6715 -34.3168 53.1877 -80.3393 155.109 PRESSAVG: 817800 -17.2089 -42.5743 48.1181 -42.5744 43.9727 89.1195 48.118 89.1195 -15.937 GPRESSAVG: 817800 -17.3809 -43.6262 47.8031 -44.5067 44.3136 86.926 47.4379 91.421 -15.941 TIMING: 817800 CPU: 2548.92, 0.00309581/step Wall: 2548.92, 0.00309581/step, 3.59648 hours remaining, 234.109375 MB of memory in use. ENERGY: 817800 4017.6603 20385.7429 14479.7964 269.2388 -203230.1048 2827.1679 0.0000 0.0000 52098.8188 -109151.6797 299.4126 -161250.4985 -108801.0024 298.7386 8.5031 32.0012 764277.6134 3.6089 3.6639 PRESSURE: 818000 211.978 -201.209 87.0654 -201.209 -73.9912 -44.7542 87.066 -44.7519 -213.962 GPRESSURE: 818000 298.972 -182.682 88.1954 -134.961 -61.7234 -20.1345 47.3558 17.4787 -242.219 PRESSAVG: 818000 28.5731 13.3474 50.1444 13.3474 5.27065 8.35321 50.1444 8.35316 6.75521 GPRESSAVG: 818000 29.3023 13.8498 48.5094 14.5132 5.39815 9.31617 50.2155 7.9562 5.78676 TIMING: 818000 CPU: 2549.54, 0.00310366/step Wall: 2549.54, 0.00310366/step, 3.60541 hours remaining, 234.109375 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: 818000 3931.8338 20533.5141 14463.2747 262.8640 -202742.3927 2599.3888 0.0000 0.0000 51744.0549 -109207.4624 297.3738 -160951.5173 -108856.3038 299.1544 -25.3251 -1.6567 763173.0741 13.5330 13.4957 PRESSURE: 818200 -112.508 103.958 27.6941 103.957 -56.4496 -99.4503 27.6953 -99.4498 -22.2134 GPRESSURE: 818200 -90.8201 123.348 -19.2653 164.142 -46.0928 17.8236 94.3385 -126.838 24.9327 PRESSAVG: 818200 -17.7074 24.2893 32.8381 24.2892 -0.548414 31.6934 32.8381 31.6934 26.4845 GPRESSAVG: 818200 -18.7659 23.4775 34.1981 24.7006 -0.33522 33.2049 32.4736 30.3893 27.4062 TIMING: 818200 CPU: 2550.16, 0.00312048/step Wall: 2550.16, 0.00312048/step, 3.62478 hours remaining, 234.109375 MB of memory in use. ENERGY: 818200 3970.6784 20255.9323 14522.0097 251.7250 -203159.5645 2975.1126 0.0000 0.0000 52036.8441 -109147.2625 299.0565 -161184.1066 -108787.8348 298.6998 -63.7235 -37.3267 764907.7576 2.7429 2.7684 PRESSURE: 818400 249.44 95.2621 387.65 95.2606 205.391 28.4411 387.651 28.4415 370.554 GPRESSURE: 818400 256.623 79.6789 364.694 159.552 236.974 98.485 234.637 7.7837 408.682 PRESSAVG: 818400 54.1841 -13.8253 19.67 -13.8253 -48.3838 -21.2752 19.67 -21.2752 5.26422 GPRESSAVG: 818400 54.9277 -12.3678 19.3313 -13.8575 -48.9756 -23.2847 20.3257 -19.7439 5.21407 TIMING: 818400 CPU: 2550.79, 0.00311766/step Wall: 2550.79, 0.00311766/step, 3.62133 hours remaining, 234.109375 MB of memory in use. ENERGY: 818400 3922.3085 20284.6236 14590.2418 235.4935 -203265.1748 3113.5256 0.0000 0.0000 51953.2125 -109165.7692 298.5758 -161118.9817 -108809.2821 298.4126 275.1280 300.7595 763578.7705 3.6882 3.7221 PRESSURE: 818600 -332.081 6.50053 -337.209 6.49999 -51.03 230.129 -337.209 230.129 -38.2413 GPRESSURE: 818600 -173.903 -34.143 -355.356 127.339 -86.5768 219.72 -253.708 211.506 -80.5127 PRESSAVG: 818600 11.3259 -5.59992 -13.774 -5.59993 47.7559 21.4368 -13.7741 21.4369 -17.4778 GPRESSAVG: 818600 11.964 -5.85943 -13.703 -6.40982 47.3892 21.0389 -14.2088 20.9296 -17.194 TIMING: 818600 CPU: 2551.41, 0.00311383/step Wall: 2551.41, 0.00311383/step, 3.61671 hours remaining, 234.109375 MB of memory in use. ENERGY: 818600 3983.5634 20451.6350 14525.9198 251.4994 -203235.1700 2942.7690 0.0000 0.0000 51883.1830 -109196.6005 298.1734 -161079.7834 -108840.4937 298.7471 -140.4508 -113.6643 762961.7299 13.8680 14.0531 PRESSURE: 818800 -107.958 -28.5255 -27.1665 -28.5258 -324.511 -162.912 -27.1674 -162.912 -137.71 GPRESSURE: 818800 -112.945 -54.6703 -101.033 -6.73439 -298.294 -222.702 -4.72658 -203.953 -80.1718 PRESSAVG: 818800 43.4387 72.6405 -33.0711 72.6406 -27.3863 -33.5127 -33.0711 -33.5126 16.3385 GPRESSAVG: 818800 41.2175 72.5069 -33.1776 72.9678 -26.1173 -33.4032 -32.5451 -35.4759 16.541 TIMING: 818800 CPU: 2552.03, 0.00310464/step Wall: 2552.03, 0.00310464/step, 3.60587 hours remaining, 234.109375 MB of memory in use. ENERGY: 818800 4015.4479 20432.2164 14507.2364 261.2106 -203197.7404 2811.7428 0.0000 0.0000 51978.0924 -109191.7938 298.7188 -161169.8863 -108831.9318 298.8864 -190.0596 -163.8035 764399.4453 10.7970 10.5470 PRESSURE: 819000 -155.167 47.0604 -9.0801 47.0612 -263.701 -311.805 -9.08063 -311.804 -143.408 GPRESSURE: 819000 -82.8592 33.7674 -147.758 38.5479 -316.987 -226.036 -11.3633 -250.336 -80.2598 PRESSAVG: 819000 -32.5949 43.7778 35.9135 43.7778 34.1949 2.09986 35.9135 2.09989 -12.2877 GPRESSAVG: 819000 -29.8192 43.4146 35.1597 44.3746 31.7229 2.36093 35.9778 5.24736 -12.6999 TIMING: 819000 CPU: 2552.65, 0.00308781/step Wall: 2552.65, 0.00308781/step, 3.58615 hours remaining, 234.109375 MB of memory in use. ENERGY: 819000 3924.5671 20386.1366 14545.7526 241.0163 -202983.8159 2642.8041 0.0000 0.0000 52071.9686 -109171.5706 299.2583 -161243.5391 -108815.6035 298.5032 -187.4254 -160.0352 764857.2908 -3.5626 -3.5987 PRESSURE: 819200 83.2044 11.9682 230.262 11.9691 -31.4898 233.252 230.261 233.251 -388.284 GPRESSURE: 819200 123.325 21.1467 188.938 94.0605 -46.8695 199.576 174.404 344.371 -308.495 PRESSAVG: 819200 -63.5307 3.4551 34.8186 3.45512 32.9615 -9.38635 34.8186 -9.38647 10.181 GPRESSAVG: 819200 -64.8293 4.09452 35.0835 2.98243 34.7017 -10.338 33.7967 -10.2482 9.26392 TIMING: 819200 CPU: 2553.27, 0.00310114/step Wall: 2553.27, 0.00310114/step, 3.60146 hours remaining, 234.109375 MB of memory in use. ENERGY: 819200 4041.4054 20201.0319 14537.1720 231.7542 -203270.6699 2985.4880 0.0000 0.0000 51895.9668 -109377.8517 298.2468 -161273.8184 -109011.0568 298.3151 -112.1899 -77.3466 764422.8676 -6.7961 -6.9546 PRESSURE: 819400 -57.4342 -88.4634 113.978 -88.4639 -50.0993 -136.93 113.977 -136.931 195.288 GPRESSURE: 819400 9.21664 -224.885 64.03 -26.4506 -28.4137 -34.024 167.516 -58.4389 194.844 PRESSAVG: 819400 -17.7828 36.9066 23.7823 36.9066 28.7354 54.8497 23.7823 54.8497 1.02224 GPRESSAVG: 819400 -16.1904 36.4318 24.0734 35.4562 28.5215 56.2751 24.1234 55.8773 -0.356617 TIMING: 819400 CPU: 2553.89, 0.00311287/step Wall: 2553.89, 0.00311287/step, 3.61491 hours remaining, 234.109375 MB of memory in use. ENERGY: 819400 3945.1045 20278.0976 14544.9582 235.8678 -203330.8066 2963.8424 0.0000 0.0000 51950.6489 -109412.2873 298.5611 -161362.9362 -109064.1967 298.4276 29.2515 58.5491 762839.3228 3.9916 3.9915 PRESSURE: 819600 -95.294 -2.14901 0.102526 -2.14929 -161.602 -159.658 0.102907 -159.657 262.169 GPRESSURE: 819600 -158.382 -89.1324 136.743 41.1046 43.5334 -120.17 19.992 -218.997 211.181 PRESSAVG: 819600 1.9247 21.894 3.40371 21.894 14.0047 -10.5453 3.40376 -10.5453 -10.4872 GPRESSAVG: 819600 -0.436334 21.9651 4.84013 22.1764 14.2459 -10.0262 6.1019 -12.6782 -7.93219 TIMING: 819600 CPU: 2554.51, 0.00309549/step Wall: 2554.51, 0.00309549/step, 3.59455 hours remaining, 234.109375 MB of memory in use. ENERGY: 819600 4003.9216 20211.9936 14461.0362 244.8859 -203231.2842 3016.4924 0.0000 0.0000 52101.8828 -109191.0717 299.4302 -161292.9545 -108830.7670 298.7332 1.7574 32.1108 762733.9406 1.8141 1.9591 PRESSURE: 819800 -116.582 -26.9469 141.932 -26.9469 -40.8461 211.794 141.932 211.793 -130.61 GPRESSURE: 819800 -35.0682 -16.5507 182.573 -13.0191 -55.3419 242.717 163.915 245.032 -113.67 PRESSAVG: 819800 -17.0022 -6.12177 35.825 -6.12178 -2.81961 -10.313 35.8249 -10.313 -6.27199 GPRESSAVG: 819800 -16.1215 -6.08915 33.9616 -4.39208 -3.04188 -11.134 34.1448 -10.9045 -7.00443 TIMING: 819800 CPU: 2555.13, 0.00311211/step Wall: 2555.13, 0.00311211/step, 3.61367 hours remaining, 234.109375 MB of memory in use. ENERGY: 819800 3994.4763 20397.0644 14470.2406 244.2881 -203333.7476 2957.1477 0.0000 0.0000 51656.3891 -109614.1414 296.8700 -161270.5305 -109267.0728 298.0811 -96.0130 -68.0266 761611.3221 -8.6979 -8.7226 PRESSURE: 820000 69.4358 -31.3075 145.9 -31.308 278.53 -131.885 145.9 -131.885 256.279 GPRESSURE: 820000 36.8034 48.1371 193.584 67.2677 333.042 -120.988 147.319 -120.618 314.227 PRESSAVG: 820000 -12.3828 5.24904 -7.10207 5.24906 6.2173 36.5795 -7.10211 36.5795 7.06798 GPRESSAVG: 820000 -13.2623 4.44517 -5.53614 6.40668 6.08885 37.3354 -7.19291 37.1727 7.95533 TIMING: 820000 CPU: 2555.76, 0.00311759/step Wall: 2555.76, 0.00311759/step, 3.61987 hours remaining, 234.109375 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: 820000 3906.7964 20624.8641 14403.9751 250.7215 -203651.9166 3134.1090 0.0000 0.0000 51614.3255 -109717.1251 296.6282 -161331.4506 -109365.7633 297.7983 201.4147 228.0244 762228.1082 0.3008 0.2606 PRESSURE: 820200 -3.48348 9.95163 75.6158 9.95207 -99.0828 -41.4489 75.6156 -41.449 -104.549 GPRESSURE: 820200 148.988 68.3583 87.3564 43.1825 -49.0819 -17.8424 47.8384 -11.5144 -225.211 PRESSAVG: 820200 23.0494 27.235 -41.9154 27.2351 -2.84739 44.3492 -41.9154 44.3492 8.89065 GPRESSAVG: 820200 24.4864 29.5784 -41.4102 25.7441 -3.19255 41.8104 -44.6356 46.309 6.97136 TIMING: 820200 CPU: 2556.38, 0.00310513/step Wall: 2556.38, 0.00310513/step, 3.60522 hours remaining, 234.109375 MB of memory in use. ENERGY: 820200 4023.2118 20336.2154 14428.5653 252.1061 -203339.7834 2845.0743 0.0000 0.0000 51733.7834 -109720.8270 297.3148 -161454.6104 -109353.2427 297.6019 -69.0383 -41.7682 763389.0113 9.6976 9.4217 LDB: ============= START OF LOAD BALANCING ============== 2568.85 LDB: ============== END OF LOAD BALANCING =============== 2568.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2568.86 LDB: ============= START OF LOAD BALANCING ============== 2569.17 LDB: Largest compute 6972 load 0.030623 is 15.7% of average load 0.195071 LDB: Average compute 0.004385 is 2.2% of average load 0.195071 LDB: TIME 2569.17 LOAD: AVG 0.195071 MAX 0.213919 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.539 MB LDB: TIME 2569.18 LOAD: AVG 0.195071 MAX 0.213919 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.539 MB LDB: TIME 2569.18 LOAD: AVG 0.195071 MAX 0.213919 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.539 MB LDB: ============== END OF LOAD BALANCING =============== 2569.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2569.18 PRESSURE: 820400 -20.6563 -105.833 -147.68 -105.833 100.157 117.476 -147.681 117.476 -64.0538 GPRESSURE: 820400 -57.6095 -90.3507 -265.069 -96.8107 136.575 177.695 2.54302 95.2275 25.2789 PRESSAVG: 820400 63.1957 22.7116 -29.319 22.7116 -44.71 6.36663 -29.319 6.36661 10.6542 GPRESSAVG: 820400 62.544 20.5461 -30.2586 22.2077 -45.5469 7.79412 -27.4766 5.77437 12.217 TIMING: 820400 CPU: 2557.02, 0.00319278/step Wall: 2557.02, 0.00319278/step, 3.70682 hours remaining, 234.050781 MB of memory in use. ENERGY: 820400 3896.9411 20298.0448 14439.6575 240.5899 -203052.1624 2690.4031 0.0000 0.0000 52027.0792 -109459.4468 299.0003 -161486.5260 -109092.9794 297.6624 5.1490 34.7482 763868.1381 9.7133 9.7380 PRESSURE: 820600 -72.1402 -166.307 -65.35 -166.308 -279.13 -237.281 -65.3503 -237.279 -286.243 GPRESSURE: 820600 -49.1264 0.0131493 14.073 -213.442 -205.194 -255.356 -139.065 -220.213 -290.304 PRESSAVG: 820600 18.5226 0.727134 -42.1778 0.727112 1.71079 12.698 -42.1778 12.698 -14.9897 GPRESSAVG: 820600 18.3038 1.34109 -41.8986 -0.625212 2.20589 13.2498 -41.2811 12.0213 -15.2695 TIMING: 820600 CPU: 2557.64, 0.00311594/step Wall: 2557.64, 0.00311593/step, 3.61743 hours remaining, 234.050781 MB of memory in use. ENERGY: 820600 3997.4435 20445.1385 14468.1292 243.9878 -202599.8586 2532.0540 0.0000 0.0000 51738.2289 -109174.8767 297.3403 -160913.1055 -108824.5748 298.2809 -212.5045 -181.5413 763780.0100 1.7479 1.7467 PRESSURE: 820800 32.8804 -56.9912 54.0471 -56.9909 -324.972 -106.972 54.0477 -106.972 -104.716 GPRESSURE: 820800 51.8008 -83.6515 12.0967 -74.3988 -280.641 -57.7262 129.835 -25.9361 -83.802 PRESSAVG: 820800 4.88754 24.8693 -61.7203 24.8692 0.237173 29.424 -61.7204 29.4239 11.7967 GPRESSAVG: 820800 5.14557 24.2783 -61.6353 25.7177 0.056862 27.9358 -62.3276 28.863 11.9142 TIMING: 820800 CPU: 2558.27, 0.00312599/step Wall: 2558.27, 0.00312599/step, 3.62893 hours remaining, 234.050781 MB of memory in use. ENERGY: 820800 3951.2549 20350.1440 14424.5772 227.8616 -203046.2974 2741.3840 0.0000 0.0000 52111.2908 -109239.7849 299.4843 -161351.0756 -108887.0124 298.8472 -132.2691 -104.2139 764977.8203 5.6405 5.7055 PRESSURE: 821000 -45.7576 -86.1861 -96.7411 -86.1871 9.03718 159.337 -96.7408 159.336 18.4561 GPRESSURE: 821000 -34.1637 -8.77101 -110.924 -144.737 17.0894 92.9964 -73.7016 76.4609 80.1571 PRESSAVG: 821000 9.54205 -44.0121 39.508 -44.0122 29.3725 -42.7648 39.508 -42.7649 5.0728 GPRESSAVG: 821000 9.91472 -43.063 39.8319 -43.9675 29.8208 -40.9245 38.7307 -43.8862 4.18175 TIMING: 821000 CPU: 2558.89, 0.00312962/step Wall: 2558.89, 0.00312961/step, 3.63296 hours remaining, 234.050781 MB of memory in use. ENERGY: 821000 4059.9896 20620.5862 14467.9424 240.7170 -203373.8478 2934.1400 0.0000 0.0000 52070.8290 -108979.6438 299.2518 -161050.4727 -108614.8039 299.3243 -6.0881 21.0276 764143.0539 14.6624 14.6391 PRESSURE: 821200 230.688 117.227 -7.28351 117.227 94.4402 -21.291 -7.2837 -21.2914 -149.027 GPRESSURE: 821200 127.232 -16.9357 -25.7917 72.4774 141.775 59.5985 -78.118 76.037 -20.0588 PRESSAVG: 821200 -2.47137 -62.5677 9.77288 -62.5676 18.5317 30.4207 9.77291 30.4206 5.25608 GPRESSAVG: 821200 -3.12698 -62.1696 9.07956 -62.0163 18.4916 31.0676 9.40023 30.6721 5.83777 TIMING: 821200 CPU: 2559.51, 0.00311272/step Wall: 2559.51, 0.00311272/step, 3.61318 hours remaining, 234.050781 MB of memory in use. ENERGY: 821200 3970.3447 20516.7687 14468.4136 251.2705 -203065.3906 2841.3308 0.0000 0.0000 51959.9860 -109057.2763 298.6148 -161017.2623 -108696.5168 299.7339 58.7006 82.9828 764027.1843 7.1055 7.0675 PRESSURE: 821400 -267.401 62.5904 51.6259 62.5902 184.094 -137.915 51.6249 -137.916 -145.03 GPRESSURE: 821400 -148.56 49.8751 7.54815 25.2093 136.991 -93.3701 75.2548 -30.5252 -149.502 PRESSAVG: 821400 13.7791 3.30197 -6.34264 3.30193 -38.9919 -0.77246 -6.34265 -0.772447 17.2013 GPRESSAVG: 821400 12.5281 2.30528 -6.06175 1.31448 -38.0758 -2.8143 -4.73808 0.815915 16.8816 TIMING: 821400 CPU: 2560.14, 0.00311982/step Wall: 2560.14, 0.00311982/step, 3.62124 hours remaining, 234.050781 MB of memory in use. ENERGY: 821400 4043.1612 20485.5820 14401.5996 264.4806 -203391.8342 2821.1144 0.0000 0.0000 52272.8654 -109103.0310 300.4129 -161375.8964 -108738.6310 299.2119 -76.1124 -53.6905 763967.3183 -2.6705 -2.8887 PRESSURE: 821600 -7.41763 -186.8 28.6678 -186.8 182.17 77.9601 28.6682 77.9604 41.8494 GPRESSURE: 821600 93.7165 -196.759 -12.4508 -122.606 156.536 16.1038 42.1714 82.9257 36.5001 PRESSAVG: 821600 -29.877 -7.41458 -33.2698 -7.41457 53.6357 -0.177312 -33.2699 -0.177312 -17.6765 GPRESSAVG: 821600 -28.3482 -7.15457 -32.7728 -5.25928 52.0411 -0.293271 -32.6004 -0.184144 -17.6483 TIMING: 821600 CPU: 2560.76, 0.00311251/step Wall: 2560.76, 0.00311251/step, 3.61258 hours remaining, 234.050781 MB of memory in use. ENERGY: 821600 3989.0589 20579.4160 14457.7577 241.9970 -203711.1736 3019.0690 0.0000 0.0000 52345.1602 -109078.7147 300.8284 -161423.8749 -108718.9007 299.5510 72.2006 95.5841 762991.0533 2.0274 2.0149 PRESSURE: 821800 -279.38 90.6352 -41.4927 90.6349 -184.054 261.115 -41.4926 261.115 113.442 GPRESSURE: 821800 -297.31 -46.3421 -49.991 -120.22 -128.016 326.193 46.9638 120.666 151.163 PRESSAVG: 821800 -23.2513 -64.7521 6.10586 -64.7521 7.30291 0.958919 6.10586 0.958892 0.627343 GPRESSAVG: 821800 -23.9463 -68.1789 3.80291 -64.5755 7.77264 1.16056 5.83684 0.945724 1.57233 TIMING: 821800 CPU: 2561.38, 0.00309952/step Wall: 2561.38, 0.00309952/step, 3.59733 hours remaining, 234.050781 MB of memory in use. ENERGY: 821800 3975.2240 20473.8157 14386.0534 247.4049 -202994.8680 2591.9787 0.0000 0.0000 52213.2229 -109107.1683 300.0701 -161320.3912 -108741.2968 299.1904 -116.6640 -91.3877 762807.5271 -5.1070 -4.8671 PRESSURE: 822000 -148.369 -66.4193 -15.3796 -66.419 23.5888 41.0698 -15.3797 41.0703 -237.212 GPRESSURE: 822000 -108.232 -202.652 58.5585 43.4003 23.7752 8.27091 109.388 -0.454686 -183.102 PRESSAVG: 822000 23.5911 21.9176 34.807 21.9175 -9.74396 -38.3027 34.807 -38.3027 -10.5754 GPRESSAVG: 822000 24.3743 24.2279 39.4873 21.3174 -10.1228 -39.512 33.2797 -36.8299 -11.3364 TIMING: 822000 CPU: 2562, 0.0030994/step Wall: 2562, 0.0030994/step, 3.59702 hours remaining, 234.050781 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: 822000 3946.6207 20307.5097 14446.5897 237.8027 -202467.0954 2349.4493 0.0000 0.0000 51971.1433 -109207.9799 298.6789 -161179.1232 -108844.0499 299.1683 -120.6641 -89.1863 763240.1409 1.0906 0.9717 PRESSURE: 822200 -245.035 165.871 -36.5178 165.87 17.4009 108.138 -36.5177 108.138 241.716 GPRESSURE: 822200 -299.309 170.914 5.9892 246.213 185.532 98.8728 -176.965 158.182 204.244 PRESSAVG: 822200 -30.4809 26.765 22.5668 26.7649 30.3332 37.6451 22.5669 37.6452 0.880837 GPRESSAVG: 822200 -31.7932 28.4465 20.4097 28.2453 30.8756 40.2677 25.1485 36.6709 0.975214 TIMING: 822200 CPU: 2562.62, 0.00311713/step Wall: 2562.62, 0.00311713/step, 3.61743 hours remaining, 234.050781 MB of memory in use. ENERGY: 822200 3941.7472 20336.2526 14390.1413 272.0373 -203168.2655 2820.9001 0.0000 0.0000 52112.7454 -109294.4417 299.4927 -161407.1871 -108929.3311 298.7104 4.6938 30.1556 762656.5499 0.2444 0.0192 PRESSURE: 822400 -148.996 -36.1503 -100.065 -36.1508 -133.255 -241.473 -100.065 -241.473 105.405 GPRESSURE: 822400 -170.636 -40.8758 65.4295 -63.3946 -3.44858 -325.426 -276.377 -159.987 108.048 PRESSAVG: 822400 -38.9811 2.29594 -7.4676 2.29588 8.69061 -37.9066 -7.46759 -37.9066 9.48809 GPRESSAVG: 822400 -38.351 -0.325902 -9.02531 1.41763 7.93701 -39.9155 -10.3301 -37.0074 9.73102 TIMING: 822400 CPU: 2563.25, 0.00310776/step Wall: 2563.25, 0.00310776/step, 3.60638 hours remaining, 234.050781 MB of memory in use. ENERGY: 822400 3972.0914 20452.3793 14437.3946 255.3976 -202733.6574 2621.3702 0.0000 0.0000 51712.6504 -109282.3740 297.1933 -160995.0244 -108919.3963 298.4617 -58.9487 -22.0122 764478.2226 -6.9341 -6.8943 PRESSURE: 822600 437.237 105.625 -132.965 105.625 -59.1479 25.0436 -132.965 25.0439 -225.352 GPRESSURE: 822600 344.594 17.0778 -110.314 57.2042 2.35279 -47.7802 -77.034 61.0988 -114.166 PRESSAVG: 822600 -21.4161 -20.0404 3.24449 -20.0403 10.1381 4.38716 3.24444 4.38707 6.59638 GPRESSAVG: 822600 -20.1822 -18.9688 4.64616 -19.9979 9.13902 5.31131 4.43002 1.6162 6.58627 TIMING: 822600 CPU: 2563.87, 0.00311653/step Wall: 2563.87, 0.00311653/step, 3.61638 hours remaining, 234.050781 MB of memory in use. ENERGY: 822600 3994.9802 20453.2290 14433.8548 264.1710 -203172.0346 2785.5231 0.0000 0.0000 52086.6180 -109153.6585 299.3425 -161240.2765 -108793.7455 298.3790 50.9122 77.5937 762926.4829 -1.5605 -1.4856 PRESSURE: 822800 -30.703 -250.566 -154.963 -250.566 -87.4439 -12.4387 -154.963 -12.4382 109.652 GPRESSURE: 822800 18.5086 -114.65 -156.404 -95.1479 -79.406 68.512 -119.065 -3.44121 152.405 PRESSAVG: 822800 -33.4832 -30.6474 6.0338 -30.6474 55.9374 -26.6856 6.0338 -26.6856 -28.4621 GPRESSAVG: 822800 -34.558 -29.425 5.31427 -30.1395 56.6561 -24.9222 5.85849 -26.7947 -28.4991 TIMING: 822800 CPU: 2564.49, 0.00310253/step Wall: 2564.49, 0.00310253/step, 3.59996 hours remaining, 234.050781 MB of memory in use. ENERGY: 822800 3983.4671 20352.5435 14448.1448 254.4373 -202744.6643 2464.9335 0.0000 0.0000 52033.0701 -109208.0678 299.0348 -161241.1380 -108849.8040 298.5513 -2.8318 30.5024 764452.5810 -2.0026 -2.1336 PRESSURE: 823000 202.909 111.976 104.705 111.977 -135.77 15.9241 104.704 15.9241 -20.7435 GPRESSURE: 823000 240.21 129.22 215.242 29.4774 -24.1907 33.6318 -92.9283 36.6913 -93.9732 PRESSAVG: 823000 -39.1642 24.1456 17.7381 24.1456 39.308 -36.298 17.7381 -36.298 3.05037 GPRESSAVG: 823000 -38.4015 22.674 17.5668 22.8876 39.4835 -39.0215 18.1572 -34.2011 1.90426 TIMING: 823000 CPU: 2565.11, 0.00309952/step Wall: 2565.11, 0.00309952/step, 3.59631 hours remaining, 234.050781 MB of memory in use. ENERGY: 823000 3974.9646 20281.8524 14419.6777 250.9539 -202924.3114 2930.9082 0.0000 0.0000 52054.8793 -109011.0754 299.1601 -161065.9546 -108651.5780 299.0998 15.4652 40.6821 765384.0698 1.0647 0.9954 PRESSURE: 823200 -54.6602 153.357 45.9137 153.358 93.0584 -67.1067 45.9134 -67.108 -39.2643 GPRESSURE: 823200 30.8736 115.055 48.0615 133.327 63.4464 -60.1655 -52.0283 -78.0993 -15.8637 PRESSAVG: 823200 -42.8471 5.45922 -6.3851 5.45915 2.90464 17.0014 -6.38513 17.0014 -13.9212 GPRESSAVG: 823200 -43.9584 6.10186 -6.88386 5.44239 3.90865 17.1637 -5.41046 15.5334 -13.407 TIMING: 823200 CPU: 2565.73, 0.00309146/step Wall: 2565.73, 0.00309146/step, 3.58679 hours remaining, 234.050781 MB of memory in use. ENERGY: 823200 3929.6427 20457.0204 14558.3680 238.4669 -202609.3349 2529.4895 0.0000 0.0000 51989.7600 -108906.5873 298.7859 -160896.3474 -108557.2212 299.0794 -0.2887 26.1521 764530.2191 -17.9545 -17.8189 PRESSURE: 823400 63.6653 12.7204 -33.321 12.7194 -97.8459 86.8823 -33.3211 86.8833 -37.6396 GPRESSURE: 823400 71.521 74.5621 -79.1925 154.398 -53.772 176.729 32.6199 7.02881 -4.16748 PRESSAVG: 823400 74.3394 -32.0499 15.9214 -32.05 -65.0684 28.2943 15.9214 28.2943 -8.74725 GPRESSAVG: 823400 74.7334 -31.9061 16.9453 -30.9311 -65.0932 29.5079 15.2269 28.4402 -8.60417 TIMING: 823400 CPU: 2566.35, 0.00310308/step Wall: 2566.35, 0.00310308/step, 3.60009 hours remaining, 234.050781 MB of memory in use. ENERGY: 823400 3957.7148 20240.3343 14525.7563 250.0627 -202590.0283 2716.2120 0.0000 0.0000 52128.1527 -108771.7955 299.5812 -160899.9482 -108410.4966 299.3295 -23.9401 4.5272 765079.2912 0.1746 0.3453 PRESSURE: 823600 -313.973 -116.232 73.7091 -116.232 42.7203 1.90616 73.7092 1.90587 43.7252 GPRESSURE: 823600 -260.118 -132.033 123.218 -48.3504 53.5615 53.32 96.8044 -8.7109 62.1065 PRESSAVG: 823600 7.09578 -10.0955 -29.5695 -10.0954 35.9469 28.0948 -29.5695 28.0949 5.14071 GPRESSAVG: 823600 7.64512 -10.9847 -28.2854 -7.99782 36.6222 27.741 -31.1764 28.3442 3.58473 TIMING: 823600 CPU: 2566.97, 0.00309689/step Wall: 2566.97, 0.00309689/step, 3.59274 hours remaining, 234.050781 MB of memory in use. ENERGY: 823600 3934.9462 20432.9266 14545.9249 245.9000 -202580.8352 2687.9678 0.0000 0.0000 51875.1857 -108857.9839 298.1274 -160733.1696 -108491.3158 299.3662 -75.8425 -48.1500 763345.5591 16.0611 15.9507 PRESSURE: 823800 55.9973 -6.63634 17.0351 -6.63696 -135.884 -30.4521 17.0358 -30.4523 153.071 GPRESSURE: 823800 53.1168 39.2477 -38.3496 -107.933 18.5273 -53.148 16.5805 35.8143 107.223 PRESSAVG: 823800 28.3722 -12.2942 -27.3783 -12.2942 -21.4817 1.87949 -27.3782 1.87944 -25.233 GPRESSAVG: 823800 28.8941 -11.5695 -29.358 -15.2357 -23.2425 2.19939 -24.7847 0.266925 -24.0747 TIMING: 823800 CPU: 2567.59, 0.00312076/step Wall: 2567.59, 0.00312076/step, 3.62026 hours remaining, 234.050781 MB of memory in use. ENERGY: 823800 3917.6049 20493.7727 14487.0147 258.3015 -202822.5128 2728.5314 0.0000 0.0000 52305.2798 -108632.0078 300.5992 -160937.2876 -108280.6691 299.5618 24.3950 59.6224 764034.2997 -6.1142 -6.1410 PRESSURE: 824000 -119.32 20.7579 138.634 20.7584 -37.5113 31.5928 138.633 31.5939 -56.5187 GPRESSURE: 824000 -37.5682 -26.1127 235.458 45.7671 32.9712 -40.4045 -8.34364 95.5764 -115.029 PRESSAVG: 824000 58.1454 20.1456 -15.4681 20.1456 -54.2089 53.1171 -15.4681 53.1171 1.62891 GPRESSAVG: 824000 58.284 19.7586 -14.5158 21.8897 -53.3372 51.8206 -17.9163 55.6682 0.967742 TIMING: 824000 CPU: 2568.22, 0.00312003/step Wall: 2568.22, 0.00312003/step, 3.61924 hours remaining, 234.050781 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: 824000 4004.7562 20483.1192 14474.5770 251.7547 -202951.3145 2825.8350 0.0000 0.0000 52159.3724 -108751.9000 299.7606 -160911.2724 -108393.4535 299.9462 -71.1166 -39.8753 763845.9960 1.8552 1.9715 PRESSURE: 824200 -176.349 -162.146 -14.7949 -162.145 -305.346 -265.231 -14.7955 -265.231 -441.835 GPRESSURE: 824200 -155.35 -119.179 60.8506 -227.347 -319.84 -258.348 -7.49478 -206.949 -370.397 PRESSAVG: 824200 41.3099 -60.3232 -26.647 -60.3232 -57.4797 -10.4103 -26.647 -10.4104 -3.78665 GPRESSAVG: 824200 42.6432 -60.5338 -26.6593 -60.5563 -58.2557 -8.25714 -25.2891 -13.4564 -3.66055 TIMING: 824200 CPU: 2568.84, 0.00311219/step Wall: 2568.84, 0.00311219/step, 3.60996 hours remaining, 234.050781 MB of memory in use. ENERGY: 824200 4036.5531 20664.7789 14517.4090 242.8744 -203099.5042 2762.0826 0.0000 0.0000 52125.4505 -108750.3557 299.5657 -160875.8062 -108393.3273 299.5543 -307.8435 -281.8623 765194.4209 -6.6521 -6.4244 LDB: ============= START OF LOAD BALANCING ============== 2581.31 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2581.31 LDB: =============== DONE WITH MIGRATION ================ 2581.32 LDB: ============= START OF LOAD BALANCING ============== 2581.63 LDB: Largest compute 7007 load 0.029747 is 15.3% of average load 0.195038 LDB: Average compute 0.004379 is 2.2% of average load 0.195038 LDB: TIME 2581.63 LOAD: AVG 0.195038 MAX 0.21415 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.594 MB LDB: TIME 2581.63 LOAD: AVG 0.195038 MAX 0.21415 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.824 MB LDB: TIME 2581.63 LOAD: AVG 0.195038 MAX 0.21415 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.824 MB LDB: ============== END OF LOAD BALANCING =============== 2581.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2581.64 PRESSURE: 824400 7.24396 15.2299 227.173 15.2291 -61.674 -73.0924 227.173 -73.0931 70.8664 GPRESSURE: 824400 79.4745 -65.3223 251.375 63.7955 18.5024 -28.8472 210.929 71.9335 5.5487 PRESSAVG: 824400 -11.0086 -39.4861 36.3488 -39.4861 -28.1933 3.65266 36.3489 3.65259 -7.1665 GPRESSAVG: 824400 -12.4964 -40.3921 36.7704 -38.6527 -27.7112 2.34713 37.4202 7.05844 -6.50154 TIMING: 824400 CPU: 2569.47, 0.0031722/step Wall: 2569.47, 0.0031722/step, 3.6794 hours remaining, 234.183594 MB of memory in use. ENERGY: 824400 3918.6494 20713.9137 14462.1502 249.4562 -203177.8799 2601.0332 0.0000 0.0000 52433.4717 -108799.2055 301.3359 -161232.6772 -108439.5398 300.0558 5.4788 34.5085 762584.4982 -15.4561 -15.5697 PRESSURE: 824600 170.501 191.165 -9.84217 191.165 -85.9979 139.855 -9.84101 139.854 155.782 GPRESSURE: 824600 190.858 104.055 84.7149 21.3601 -41.9532 101.021 0.546889 57.8185 191.198 PRESSAVG: 824600 28.8504 6.09572 0.468935 6.09579 -12.2757 0.0996787 0.468908 0.099665 21.0524 GPRESSAVG: 824600 27.9342 6.67892 -1.97636 5.61431 -10.7245 1.54443 1.74538 -2.48448 20.2174 TIMING: 824600 CPU: 2570.09, 0.00311054/step Wall: 2570.09, 0.00311054/step, 3.6077 hours remaining, 234.386719 MB of memory in use. ENERGY: 824600 3948.0308 20436.2667 14449.4994 242.3845 -202981.9425 2919.5887 0.0000 0.0000 52180.1978 -108805.9744 299.8803 -160986.1723 -108440.0731 300.2711 80.0951 113.3676 764611.3343 12.5423 12.4757 PRESSURE: 824800 99.5877 -25.2905 60.9805 -25.2905 167.489 -70.3474 60.9803 -70.3482 202.677 GPRESSURE: 824800 83.2733 -51.1818 23.8834 36.6688 64.4747 -69.0077 -37.622 -95.0421 383.719 PRESSAVG: 824800 -29.0603 18.021 49.327 18.0209 20.8562 26.9229 49.327 26.923 32.6367 GPRESSAVG: 824800 -27.9472 18.5753 50.4502 17.0941 18.693 24.006 46.2798 28.2097 33.9338 TIMING: 824800 CPU: 2570.72, 0.00312119/step Wall: 2570.72, 0.00312119/step, 3.61989 hours remaining, 234.386719 MB of memory in use. ENERGY: 824800 3962.7112 20615.0764 14422.3141 239.0631 -202975.6650 2874.7836 0.0000 0.0000 52001.4233 -108860.2934 298.8529 -160861.7167 -108500.0414 299.2750 156.5843 177.1558 763548.8505 8.1442 8.2266 PRESSURE: 825000 288.391 -14.3841 -146.191 -14.3839 158.624 101.335 -146.191 101.334 230.978 GPRESSURE: 825000 241.968 -1.68762 -59.8101 -34.1885 305.348 104.948 -139.379 42.4475 214.83 PRESSAVG: 825000 -17.446 9.9711 3.34185 9.97106 43.3872 14.3695 3.34187 14.3695 4.05606 GPRESSAVG: 825000 -17.7282 9.56305 4.99726 11.2688 44.8234 16.0288 5.7944 12.6097 2.94515 TIMING: 825000 CPU: 2571.34, 0.0031171/step Wall: 2571.34, 0.0031171/step, 3.61498 hours remaining, 234.386719 MB of memory in use. ENERGY: 825000 4055.6759 20575.4706 14457.2195 248.0229 -203586.6106 3170.1476 0.0000 0.0000 52048.1424 -109031.9317 299.1214 -161080.0740 -108664.0204 299.5177 225.9977 254.0488 762211.5736 9.9991 10.0134 PRESSURE: 825200 35.847 -40.2542 49.2998 -40.2543 144.681 124.011 49.2993 124.01 -391.455 GPRESSURE: 825200 102.331 -1.39509 112.788 51.2947 148.764 111.085 -37.5029 234.265 -347.928 PRESSAVG: 825200 -18.7609 -11.7874 22.5654 -11.7874 -15.2402 34.126 22.5653 34.1259 32.3325 GPRESSAVG: 825200 -17.796 -10.9537 21.0795 -10.7727 -15.9928 33.6308 21.6804 35.4492 32.1781 TIMING: 825200 CPU: 2571.96, 0.00311391/step Wall: 2571.96, 0.00311391/step, 3.61109 hours remaining, 234.386719 MB of memory in use. ENERGY: 825200 4024.0473 20504.5626 14501.5455 235.2083 -202757.3400 2612.5667 0.0000 0.0000 52146.7636 -108732.6460 299.6882 -160879.4097 -108378.0292 299.7451 -70.3089 -32.2777 762273.9891 -0.5562 -0.5369 PRESSURE: 825400 -417.397 49.1306 -61.9127 49.1313 -114.322 15.1632 -61.9129 15.1613 6.53912 GPRESSURE: 825400 -309.845 -21.6492 -76.8126 -59.1471 -40.2851 62.0448 20.924 54.3414 -98.0359 PRESSAVG: 825400 34.4616 15.8379 28.7991 15.8379 -75.075 67.849 28.7992 67.849 15.1494 GPRESSAVG: 825400 33.5659 14.7485 28.7955 13.4854 -74.2963 68.1468 28.6779 67.1436 15.0655 TIMING: 825400 CPU: 2572.59, 0.00310971/step Wall: 2572.59, 0.00310971/step, 3.60605 hours remaining, 234.386719 MB of memory in use. ENERGY: 825400 3982.9189 20554.7426 14464.4331 225.6706 -202733.8284 2629.8633 0.0000 0.0000 52184.2882 -108691.9116 299.9038 -160876.1998 -108323.8319 299.6920 -175.0600 -149.3887 763335.8095 -8.4880 -8.5550 PRESSURE: 825600 -57.3905 -102.633 -125.614 -102.632 197.33 28.8237 -125.615 28.8236 42.5968 GPRESSURE: 825600 22.9589 -110.947 -36.6239 -162.885 214.989 42.5746 -100.38 39.4249 11.3779 PRESSAVG: 825600 4.91218 -14.4829 52.8373 -14.4829 26.2343 27.1881 52.8374 27.1881 22.3849 GPRESSAVG: 825600 4.9257 -13.4237 53.0947 -15.7069 26.8 27.6362 52.8528 26.8201 21.8773 TIMING: 825600 CPU: 2573.21, 0.0031127/step Wall: 2573.21, 0.0031127/step, 3.60935 hours remaining, 234.386719 MB of memory in use. ENERGY: 825600 4058.6727 20670.1558 14484.5015 256.9633 -203169.5028 2848.3685 0.0000 0.0000 52124.1132 -108726.7279 299.5580 -160850.8411 -108360.3714 300.2580 60.8455 83.1085 763599.0526 17.8438 17.8677 PRESSURE: 825800 -216.711 -107.337 52.344 -107.337 39.9646 -171.574 52.3438 -171.574 124.73 GPRESSURE: 825800 -158.654 -74.7591 46.6422 -42.5162 44.3719 -183.555 85.3516 -109.071 125.993 PRESSAVG: 825800 -46.9028 6.27465 70.1168 6.27467 18.0997 39.9059 70.1168 39.9059 -18.2227 GPRESSAVG: 825800 -45.5927 2.64281 72.092 9.29756 17.0979 39.3543 69.0638 39.9001 -18.4293 TIMING: 825800 CPU: 2573.83, 0.00310802/step Wall: 2573.83, 0.00310802/step, 3.60375 hours remaining, 234.386719 MB of memory in use. ENERGY: 825800 3960.4882 20578.1496 14448.3176 241.8633 -203036.0818 2680.2739 0.0000 0.0000 52195.3704 -108931.6187 299.9675 -161126.9891 -108548.3584 299.4712 -17.3390 3.9035 763364.8315 -15.6753 -15.6414 PRESSURE: 826000 -313.012 112.699 215.475 112.699 160.664 14.9605 215.476 14.9599 36.2835 GPRESSURE: 826000 -191.353 176.681 232.62 126.063 145.861 -24.1298 75.5841 11.8481 7.0316 PRESSAVG: 826000 -19.0199 -2.42806 54.3726 -2.4281 -10.3065 -4.10417 54.3726 -4.10415 -19.4051 GPRESSAVG: 826000 -18.6047 0.819521 54.5323 -4.77082 -11.8015 -5.89947 54.7373 -3.05849 -18.5462 TIMING: 826000 CPU: 2574.45, 0.00310056/step Wall: 2574.45, 0.00310056/step, 3.59493 hours remaining, 234.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 826000 4093.4844 20372.6540 14488.6061 250.7638 -202696.6997 2730.2037 0.0000 0.0000 52015.7309 -108745.2568 298.9351 -160760.9877 -108379.5296 299.5385 -38.6882 -12.8201 764682.7597 -16.2438 -16.3175 PRESSURE: 826200 -71.3933 -194.705 -51.9795 -194.705 -45.3408 96.9024 -51.9786 96.9038 111.847 GPRESSURE: 826200 39.1114 -151.832 -31.3371 -228.172 -104.677 139.189 -78.7724 -81.1329 159.365 PRESSAVG: 826200 -9.81185 -28.2868 44.0353 -28.2867 8.82813 12.0838 44.0353 12.0837 7.65579 GPRESSAVG: 826200 -11.9006 -29.5526 41.9872 -27.0779 10.8913 15.2996 43.4817 9.62181 7.67235 TIMING: 826200 CPU: 2575.07, 0.00310208/step Wall: 2575.07, 0.00310208/step, 3.59651 hours remaining, 234.386719 MB of memory in use. ENERGY: 826200 4006.1514 20570.3242 14422.8601 251.9423 -202892.7241 2774.7643 0.0000 0.0000 52297.0028 -108569.6790 300.5516 -160866.6818 -108207.3862 300.2422 -1.6292 31.2666 764761.9347 2.2240 2.2210 PRESSURE: 826400 -389.363 -120.451 -7.15424 -120.45 83.6795 115.805 -7.1547 115.805 -86.251 GPRESSURE: 826400 -277.826 -61.6283 -84.2297 -195.461 37.7878 200.31 -63.5935 149.289 -62.9477 PRESSAVG: 826400 22.9406 -38.4145 -0.528238 -38.4145 -21.6868 26.7889 -0.528287 26.7889 -12.107 GPRESSAVG: 826400 22.8242 -38.3685 -0.0479587 -40.9829 -21.5775 26.0962 -0.444696 28.5553 -11.7741 TIMING: 826400 CPU: 2575.69, 0.0031123/step Wall: 2575.69, 0.0031123/step, 3.60819 hours remaining, 234.386719 MB of memory in use. ENERGY: 826400 4090.1936 20512.9543 14422.2463 242.4580 -202940.3266 2747.5271 0.0000 0.0000 52160.0766 -108764.8707 299.7647 -160924.9473 -108395.8852 300.2393 -130.6448 -100.9954 765864.4689 -3.6177 -3.5091 PRESSURE: 826600 -71.0605 36.7345 -103.837 36.7345 -171.399 4.32363 -103.838 4.32425 -80.2084 GPRESSURE: 826600 -54.0401 -28.0613 -123.832 24.8108 -144.736 78.4633 -70.518 7.1433 -44.5701 PRESSAVG: 826600 -0.786752 3.64237 11.9598 3.64246 -23.558 -41.1855 11.9597 -41.1856 -3.67525 GPRESSAVG: 826600 -0.551995 3.77462 12.681 5.11448 -24.3125 -42.6182 12.6873 -41.9164 -3.7356 TIMING: 826600 CPU: 2576.31, 0.0031017/step Wall: 2576.31, 0.0031017/step, 3.59574 hours remaining, 234.386719 MB of memory in use. ENERGY: 826600 4015.0883 20556.7228 14449.0499 259.9870 -203165.2804 2888.4739 0.0000 0.0000 52133.7360 -108862.2224 299.6133 -160995.9584 -108497.3605 299.7991 -107.5560 -81.1153 765456.5984 -9.3400 -9.5334 PRESSURE: 826800 -56.5179 -57.4036 36.4878 -57.4035 80.6295 -59.6545 36.4879 -59.6538 -50.6119 GPRESSURE: 826800 -26.6774 61.6106 -3.14166 -49.8418 63.1964 -71.6106 12.8584 -73.8061 23.5118 PRESSAVG: 826800 29.5518 62.6521 -27.882 62.6521 -28.7693 -50.0059 -27.882 -50.0059 -8.79039 GPRESSAVG: 826800 30.7601 62.7892 -27.5745 61.6383 -30.0322 -49.5035 -28.8412 -47.0962 -8.73561 TIMING: 826800 CPU: 2576.94, 0.00311039/step Wall: 2576.94, 0.00311039/step, 3.60564 hours remaining, 234.386719 MB of memory in use. ENERGY: 826800 3975.3685 20630.0532 14403.3190 259.1870 -203204.5665 3087.7308 0.0000 0.0000 51927.6466 -108921.2615 298.4289 -160848.9081 -108557.6876 299.2275 -8.8334 20.0103 765465.7121 -2.6693 -2.6693 PRESSURE: 827000 307.226 -77.5319 186.779 -77.5316 128.995 -33.3844 186.779 -33.3836 -136.743 GPRESSURE: 827000 432.338 -117.378 225.809 -53.0516 108.988 -18.4038 67.1341 -58.9932 -150.174 PRESSAVG: 827000 30.9108 -35.1864 -13.5659 -35.1865 -21.7551 -0.097759 -13.5658 -0.0977285 1.01294 GPRESSAVG: 827000 31.1483 -35.2939 -15.3006 -34.0367 -20.4214 0.98293 -10.9932 -1.36221 -0.429841 TIMING: 827000 CPU: 2577.56, 0.00311582/step Wall: 2577.56, 0.00311582/step, 3.61176 hours remaining, 234.386719 MB of memory in use. ENERGY: 827000 4012.7570 20497.1597 14473.3001 241.2528 -202843.3388 2955.8674 0.0000 0.0000 51818.4250 -108844.5767 297.8012 -160663.0017 -108481.7901 299.1145 99.8259 130.3842 765789.5525 3.3896 3.4324 PRESSURE: 827200 -15.3045 -244.389 -85.9507 -244.388 123.647 -53.1699 -85.9522 -53.1689 165.835 GPRESSURE: 827200 -35.9249 -242.123 -111.067 -177.289 230.373 -73.5809 -20.9953 -143.93 174.68 PRESSAVG: 827200 0.233136 -12.2301 43.0414 -12.2302 -24.7733 19.5718 43.0413 19.5719 -4.65012 GPRESSAVG: 827200 -0.389829 -11.9234 45.3426 -13.1835 -25.8748 19.3485 41.2074 18.7986 -3.34803 TIMING: 827200 CPU: 2578.18, 0.00311428/step Wall: 2578.18, 0.00311428/step, 3.60979 hours remaining, 234.386719 MB of memory in use. ENERGY: 827200 4125.7982 20651.4347 14416.3772 254.8535 -203481.6080 3118.0097 0.0000 0.0000 52014.8755 -108900.2592 298.9302 -160915.1347 -108541.2403 298.9191 91.3926 123.0428 764681.9403 -9.7301 -9.8709 PRESSURE: 827400 -120.69 -0.801971 -97.9195 -0.802436 -242.534 -293.926 -97.919 -293.926 -483.437 GPRESSURE: 827400 -84.7815 11.9361 10.4564 30.1954 -269.139 -259.332 -50.0018 -221.242 -395.999 PRESSAVG: 827400 16.4898 -91.6205 6.74862 -91.6205 -28.4027 13.7091 6.74855 13.7091 -12.0749 GPRESSAVG: 827400 14.6669 -90.6665 5.48052 -91.4799 -27.3623 13.4747 9.57998 13.4702 -11.3822 TIMING: 827400 CPU: 2578.81, 0.00311637/step Wall: 2578.81, 0.00311637/step, 3.61204 hours remaining, 234.386719 MB of memory in use. ENERGY: 827400 4019.4427 20556.8251 14447.4804 239.8649 -203062.6369 2757.6349 0.0000 0.0000 52105.1137 -108936.2753 299.4488 -161041.3890 -108568.4547 298.9851 -282.2201 -249.9730 765520.7558 -7.9959 -8.0259 PRESSURE: 827600 -77.1785 20.3973 47.8852 20.398 -216.652 95.1573 47.8852 95.1576 -175.16 GPRESSURE: 827600 -96.0181 2.0678 118.472 -73.4957 -160.474 41.5767 -31.8113 93.108 -120.863 PRESSAVG: 827600 32.3107 -46.868 19.6301 -46.868 28.6799 53.0212 19.6301 53.0212 18.206 GPRESSAVG: 827600 33.2997 -46.9592 19.4903 -46.6739 27.6885 52.5045 17.365 54.5419 18.3496 TIMING: 827600 CPU: 2579.43, 0.00311269/step Wall: 2579.43, 0.00311269/step, 3.60761 hours remaining, 234.386719 MB of memory in use. ENERGY: 827600 4078.2136 20604.7472 14474.4797 265.1197 -203270.4007 2847.3451 0.0000 0.0000 51923.1695 -109077.3259 298.4032 -161000.4954 -108717.2875 298.8906 -156.3301 -125.7847 764594.8180 26.3989 26.4460 PRESSURE: 827800 386.899 -26.8836 24.8057 -26.8831 46.9781 76.6697 24.8063 76.6684 273.316 GPRESSURE: 827800 372.233 -80.5767 42.9796 9.76754 81.1514 69.4159 -151.368 31.6612 328.169 PRESSAVG: 827800 56.8934 -29.6547 -18.8605 -29.6547 -16.6776 -0.665095 -18.8606 -0.665082 -7.63655 GPRESSAVG: 827800 56.3867 -30.7131 -18.1486 -28.5456 -16.1644 -0.21268 -18.1735 -2.54101 -8.56141 TIMING: 827800 CPU: 2580.05, 0.00310312/step Wall: 2580.05, 0.00310312/step, 3.59635 hours remaining, 234.386719 MB of memory in use. ENERGY: 827800 3995.7272 20590.0407 14419.9861 253.5607 -203534.4192 2994.1523 0.0000 0.0000 52138.2117 -109142.7405 299.6390 -161280.9522 -108788.0179 298.9328 235.7310 260.5178 763763.1357 10.8597 10.5536 PRESSURE: 828000 15.2727 -92.4785 -25.4938 -92.4788 4.28606 138.905 -25.4929 138.904 42.5442 GPRESSURE: 828000 94.1801 -107.418 -140.053 -89.4616 -16.6918 116.914 84.6175 139.518 63.5467 PRESSAVG: 828000 -10.0046 24.9139 -30.5801 24.9139 -7.21341 7.64649 -30.5801 7.64653 -6.41978 GPRESSAVG: 828000 -10.4845 25.1437 -31.5323 24.4793 -7.28307 9.28257 -29.3796 7.73896 -5.45863 TIMING: 828000 CPU: 2580.67, 0.00310782/step Wall: 2580.67, 0.00310782/step, 3.60161 hours remaining, 234.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 828000 3997.8668 20435.3698 14470.0924 255.5381 -203100.5406 2928.7967 0.0000 0.0000 51932.5622 -109080.3145 298.4571 -161012.8767 -108714.7190 298.7864 20.7010 47.0117 765026.3704 -7.8793 -7.7421 PRESSURE: 828200 -73.2413 -28.5167 149.093 -28.5169 -234.249 -129.215 149.094 -129.215 -20.8269 GPRESSURE: 828200 -69.3735 -5.69777 153.297 -49.366 -222.187 -67.0982 145.993 -146.154 35.7291 PRESSAVG: 828200 54.2771 10.3177 -14.7241 10.3176 -47.9878 4.57288 -14.7241 4.57281 -27.8489 GPRESSAVG: 828200 53.8735 10.934 -15.0061 12.7777 -46.4043 4.0212 -16.5381 4.62165 -28.8466 TIMING: 828200 CPU: 2581.29, 0.00310434/step Wall: 2581.29, 0.00310434/step, 3.59742 hours remaining, 234.386719 MB of memory in use. ENERGY: 828200 4071.4902 20430.2179 14484.3750 244.6426 -203171.8394 2737.7150 0.0000 0.0000 52156.6262 -109046.7725 299.7448 -161203.3987 -108675.8543 299.1805 -109.4391 -85.2771 763986.7914 -7.1865 -7.1258 LDB: ============= START OF LOAD BALANCING ============== 2593.77 LDB: ============== END OF LOAD BALANCING =============== 2593.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2593.77 LDB: ============= START OF LOAD BALANCING ============== 2594.08 LDB: Largest compute 6972 load 0.030477 is 15.6% of average load 0.194962 LDB: Average compute 0.004403 is 2.3% of average load 0.194962 LDB: TIME 2594.09 LOAD: AVG 0.194962 MAX 0.214615 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.672 MB LDB: TIME 2594.09 LOAD: AVG 0.194962 MAX 0.214615 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.672 MB LDB: TIME 2594.09 LOAD: AVG 0.194962 MAX 0.214615 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.672 MB LDB: ============== END OF LOAD BALANCING =============== 2594.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2594.09 PRESSURE: 828400 259.007 241.656 -89.6263 241.656 -143.236 120.84 -89.6257 120.841 428.419 GPRESSURE: 828400 359.787 210.731 -108.644 125.247 -154.382 220.997 -79.3236 13.4289 424.334 PRESSAVG: 828400 25.8104 16.0059 -20.7018 16.0059 6.92555 35.8109 -20.7018 35.8109 14.4579 GPRESSAVG: 828400 25.8772 14.2152 -18.7107 14.8556 6.69679 35.2093 -19.6079 35.9235 14.3892 TIMING: 828400 CPU: 2581.93, 0.0031788/step Wall: 2581.93, 0.0031788/step, 3.68352 hours remaining, 234.183594 MB of memory in use. ENERGY: 828400 3922.1135 20593.2794 14558.7534 246.9513 -202833.5813 2462.6933 0.0000 0.0000 52090.8377 -108958.9528 299.3668 -161049.7905 -108598.7949 299.2920 181.3963 209.9130 763346.0430 15.7313 15.6544 PRESSURE: 828600 139.454 -27.1341 247.486 -27.1348 7.71288 -115.84 247.487 -115.84 -93.9547 GPRESSURE: 828600 113.329 -73.8287 287.712 27.2932 101.804 -131.551 243.429 -206.321 -68.0594 PRESSAVG: 828600 -22.0815 7.00619 -3.82563 7.00619 -3.18111 56.1531 -3.82558 56.1531 1.11202 GPRESSAVG: 828600 -22.3852 7.95454 -6.98824 4.2883 -3.4236 55.3459 -3.24382 54.9282 1.37536 TIMING: 828600 CPU: 2582.55, 0.00310423/step Wall: 2582.55, 0.00310423/step, 3.59694 hours remaining, 234.183594 MB of memory in use. ENERGY: 828600 4028.4283 20398.8487 14458.4405 266.5636 -203079.1270 2665.1892 0.0000 0.0000 52318.9999 -108942.6569 300.6780 -161261.6567 -108578.4024 299.5366 17.7372 49.0246 763244.1421 -8.0502 -8.1445 PRESSURE: 828800 -128.84 209.46 -47.5033 209.459 45.0861 48.4019 -47.5028 48.4011 109.919 GPRESSURE: 828800 -91.2374 145.743 -30.0738 71.628 123.486 -40.2178 -78.4673 -35.9626 63.5542 PRESSAVG: 828800 58.3429 24.4086 9.62956 24.4085 -10.8573 14.0109 9.62959 14.0108 12.1433 GPRESSAVG: 828800 58.2335 24.1795 11.3612 24.9926 -10.6695 12.6784 8.01938 14.3147 12.4179 TIMING: 828800 CPU: 2583.17, 0.00309762/step Wall: 2583.17, 0.00309762/step, 3.58911 hours remaining, 234.183594 MB of memory in use. ENERGY: 828800 3995.7009 20574.6562 14494.9253 256.3435 -203550.3446 3025.6025 0.0000 0.0000 52228.1593 -108974.9569 300.1559 -161203.1162 -108601.6184 299.6711 8.7217 31.9342 761479.5774 19.8763 19.9939 PRESSURE: 829000 93.1697 25.0268 60.4908 25.0269 -324.275 77.6411 60.4902 77.641 443.322 GPRESSURE: 829000 43.747 111.068 39.3458 10.7739 -218.146 74.0474 25.0937 193.314 451.104 PRESSAVG: 829000 48.4818 33.5548 6.16563 33.5548 -31.5797 50.9396 6.16559 50.9397 -4.71307 GPRESSAVG: 829000 48.4994 34.3418 6.82011 34.3885 -32.1276 52.2888 5.49615 52.7222 -4.48885 TIMING: 829000 CPU: 2583.79, 0.00309916/step Wall: 2583.79, 0.00309916/step, 3.59072 hours remaining, 234.183594 MB of memory in use. ENERGY: 829000 4037.7066 20578.4853 14461.1876 250.0855 -203298.7155 2678.1583 0.0000 0.0000 52227.9379 -109065.1542 300.1547 -161293.0921 -108698.5606 299.4950 70.7388 92.2352 761119.6402 4.0630 3.9610 PRESSURE: 829200 -228.692 167.706 -30.0021 167.707 76.6114 239.191 -30.0018 239.19 357.448 GPRESSURE: 829200 -164.378 163.717 -103.627 101.237 116.447 237.805 48.8837 229.614 344.095 PRESSAVG: 829200 -13.0204 29.8681 5.88756 29.868 48.5022 -15.1421 5.8876 -15.1421 -14.4852 GPRESSAVG: 829200 -13.1995 28.1482 5.32467 28.9768 48.3336 -14.1122 6.96241 -16.8432 -14.0592 TIMING: 829200 CPU: 2584.41, 0.00310354/step Wall: 2584.41, 0.00310354/step, 3.59562 hours remaining, 234.183594 MB of memory in use. ENERGY: 829200 4027.5872 20766.6537 14536.3472 260.5575 -203251.4028 2873.1161 0.0000 0.0000 51896.5426 -108890.5986 298.2501 -160787.1411 -108539.2881 299.3723 68.4557 98.7211 761875.2557 6.9989 7.0250 PRESSURE: 829400 198.486 110.914 101.299 110.915 -33.2581 -129.177 101.299 -129.177 -419.057 GPRESSURE: 829400 196.184 92.1063 259.785 57.7299 29.1068 -62.9387 104.506 -151.177 -385.004 PRESSAVG: 829400 -37.0869 -5.40709 64.2245 -5.40707 29.3467 2.97021 64.2244 2.97017 3.17817 GPRESSAVG: 829400 -36.5673 -3.46561 63.7619 -3.373 29.3219 2.09017 64.9566 6.10518 2.39346 TIMING: 829400 CPU: 2585.03, 0.00309523/step Wall: 2585.03, 0.00309523/step, 3.58582 hours remaining, 234.183594 MB of memory in use. ENERGY: 829400 3968.0259 20760.4296 14506.9868 261.2636 -203080.1197 2703.6692 0.0000 0.0000 51975.6610 -108904.0836 298.7048 -160879.7446 -108541.4691 299.9687 -84.6095 -53.2379 763005.4593 -1.5207 -1.6173 PRESSURE: 829600 19.6596 38.9094 -100.683 38.9097 159.904 80.0932 -100.682 80.0918 559.641 GPRESSURE: 829600 114.423 153.875 -44.115 72.4662 149.839 145.958 -119.078 158.311 541.375 PRESSAVG: 829600 37.5844 5.15652 35.5067 5.15658 -5.9287 -15.2578 35.5068 -15.2577 11.6312 GPRESSAVG: 829600 36.4668 5.07359 34.954 2.65325 -4.95209 -14.9063 35.3385 -18.5854 11.8263 TIMING: 829600 CPU: 2585.65, 0.00310407/step Wall: 2585.65, 0.00310407/step, 3.59589 hours remaining, 234.183594 MB of memory in use. ENERGY: 829600 3972.0306 20625.9387 14501.9092 265.3239 -203622.2691 3199.7079 0.0000 0.0000 52201.8982 -108855.4605 300.0050 -161057.3587 -108489.0288 299.9042 246.4014 268.5458 760987.6875 14.4289 14.4470 PRESSURE: 829800 78.5709 13.0371 -18.7073 13.0373 -153.916 101.691 -18.7073 101.693 -20.8529 GPRESSURE: 829800 155.535 -25.8292 -55.5886 122.936 -200.907 22.8442 -70.756 75.5596 31.4775 PRESSAVG: 829800 4.44126 10.2819 21.1613 10.2819 9.56323 50.0693 21.1613 50.0693 3.66939 GPRESSAVG: 829800 4.69199 9.45778 21.9774 12.3555 8.5653 49.3071 19.903 50.9292 3.99097 TIMING: 829800 CPU: 2586.27, 0.00309165/step Wall: 2586.27, 0.00309165/step, 3.58133 hours remaining, 234.183594 MB of memory in use. ENERGY: 829800 4029.2875 20705.0795 14462.3349 249.6409 -203377.6073 2884.5147 0.0000 0.0000 52115.6556 -108931.0941 299.5094 -161046.7497 -108578.4810 299.6715 -32.0660 -4.6316 763351.9929 5.8913 5.7494 PRESSURE: 830000 -44.766 -78.7217 -7.80616 -78.7214 53.1783 104.8 -7.80579 104.8 -477.814 GPRESSURE: 830000 1.28678 -54.7644 -22.2316 -105.832 16.4339 35.0515 38.3729 78.9438 -404.117 PRESSAVG: 830000 -15.6194 -17.7397 -6.53576 -17.7396 7.6985 12.8274 -6.53575 12.8274 13.4859 GPRESSAVG: 830000 -12.8086 -19.88 -7.05242 -18.4771 5.09731 12.6378 -5.68888 13.1742 13.3051 TIMING: 830000 CPU: 2586.88, 0.00309002/step Wall: 2586.88, 0.00309002/step, 3.57928 hours remaining, 234.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 830000 4009.1314 20570.1297 14436.1250 250.6468 -203083.8828 2700.4036 0.0000 0.0000 52112.8326 -109004.6137 299.4932 -161117.4463 -108647.4723 299.3772 -156.4674 -128.7987 762951.3171 1.8550 1.8646 PRESSURE: 830200 -204.47 44.4385 -18.7896 44.4384 -328.04 125.846 -18.7886 125.846 -245.408 GPRESSURE: 830200 -169.682 86.7682 -33.0342 78.4443 -291.638 112.516 67.2299 22.0386 -252.456 PRESSAVG: 830200 -24.2841 -39.8404 -20.3386 -39.8405 61.3017 -17.1714 -20.3386 -17.1714 2.44928 GPRESSAVG: 830200 -25.6513 -36.7137 -19.7382 -40.4657 63.444 -16.9062 -20.9556 -17.2151 2.06872 TIMING: 830200 CPU: 2587.5, 0.00309451/step Wall: 2587.5, 0.00309451/step, 3.5843 hours remaining, 234.183594 MB of memory in use. ENERGY: 830200 4012.0912 20549.3687 14457.7752 236.4882 -202968.3297 2761.7873 0.0000 0.0000 51966.7416 -108984.0775 298.6536 -160950.8190 -108624.6839 299.2746 -259.3059 -237.9253 763482.0420 13.1556 13.2871 PRESSURE: 830400 -200.359 -58.9886 196.277 -58.9884 176.663 -86.6051 196.276 -86.6046 -15.2118 GPRESSURE: 830400 -133.238 10.1141 66.2632 -80.5259 190.798 -95.4109 168.707 -113.86 -13.9435 PRESSAVG: 830400 -41.9011 -5.18936 -10.7757 -5.18946 46.3722 12.491 -10.7757 12.491 -1.54743 GPRESSAVG: 830400 -40.4722 -5.33132 -12.1468 -2.54469 45.3307 12.1188 -7.42224 11.7162 -1.31705 TIMING: 830400 CPU: 2588.12, 0.00310156/step Wall: 2588.12, 0.00310156/step, 3.5923 hours remaining, 234.183594 MB of memory in use. ENERGY: 830400 3977.8404 20426.2821 14420.7162 247.7326 -202945.6712 2674.6932 0.0000 0.0000 52069.3163 -109129.0905 299.2431 -161198.4067 -108770.1521 298.8843 -12.9693 14.5390 762373.1887 0.9745 1.1805 PRESSURE: 830600 -223.985 -167.603 93.8185 -167.604 -46.9045 56.0568 93.8182 56.0575 264.401 GPRESSURE: 830600 -278.224 -151.528 44.0981 -68.2499 59.8473 50.8522 137.178 -74.9504 289.591 PRESSAVG: 830600 -4.40745 -33.2971 13.0655 -33.2971 67.7992 8.67413 13.0655 8.67408 -23.5617 GPRESSAVG: 830600 -5.45447 -34.6271 13.0077 -33.4156 69.3109 7.79549 10.121 8.38161 -23.7334 TIMING: 830600 CPU: 2588.75, 0.00311173/step Wall: 2588.75, 0.00311173/step, 3.6039 hours remaining, 234.183594 MB of memory in use. ENERGY: 830600 3982.9554 20345.3099 14427.6104 254.5757 -202980.4677 2660.1227 0.0000 0.0000 52081.9684 -109227.9251 299.3158 -161309.8936 -108868.5804 298.9111 -2.1628 23.7382 762761.0768 13.2767 13.3743 PRESSURE: 830800 54.4091 11.2596 135.212 11.2603 -172.402 172.441 135.212 172.443 114.379 GPRESSURE: 830800 87.2121 146.683 69.5411 93.6053 -136.809 288.925 20.0313 107.16 144.971 PRESSAVG: 830800 -35.0708 -22.7442 -33.336 -22.7441 20.0819 59.2428 -33.3361 59.2428 4.10103 GPRESSAVG: 830800 -36.2473 -23.4556 -31.8875 -22.8001 20.4874 60.1755 -32.2705 58.6769 5.28418 TIMING: 830800 CPU: 2589.37, 0.00311237/step Wall: 2589.37, 0.00311237/step, 3.60447 hours remaining, 234.183594 MB of memory in use. ENERGY: 830800 3996.7420 20461.1693 14447.9166 249.2181 -203079.1356 2817.1461 0.0000 0.0000 51806.3294 -109300.6141 297.7317 -161106.9436 -108936.1881 298.1897 -1.2048 31.7912 763719.3484 -3.6293 -3.4919 PRESSURE: 831000 -62.9377 2.24793 -31.9753 2.24844 169.13 -0.43341 -31.9762 -0.433673 -249.153 GPRESSURE: 831000 1.82622 41.75 -44.6603 8.91137 99.5535 75.4928 15.2506 -28.2371 -176.035 PRESSAVG: 831000 -14.3105 -23.1006 8.28626 -23.1005 28.954 44.2852 8.28626 44.2853 6.16515 GPRESSAVG: 831000 -13.2258 -22.2604 7.05437 -24.8183 28.3269 42.1813 6.46453 45.8146 6.04947 TIMING: 831000 CPU: 2589.99, 0.00311135/step Wall: 2589.99, 0.00311135/step, 3.60311 hours remaining, 234.183594 MB of memory in use. ENERGY: 831000 3966.1557 20462.8461 14482.0970 256.7586 -203120.3770 2754.9695 0.0000 0.0000 51721.5958 -109475.9544 297.2447 -161197.5501 -109119.5653 298.5847 -47.6537 -24.8851 762223.3766 6.9362 7.0502 PRESSURE: 831200 -246.292 50.8089 52.3326 50.8091 -160.167 -150.766 52.3315 -150.765 -94.9196 GPRESSURE: 831200 -218.133 -21.205 73.3832 94.5059 -123.389 -114.035 1.83831 -238.408 -89.5165 PRESSAVG: 831200 -45.8548 37.7192 -11.0657 37.7192 23.4112 -2.74241 -11.0657 -2.74238 -21.0403 GPRESSAVG: 831200 -44.8783 36.8955 -10.879 37.9445 22.8152 -1.22323 -10.6363 -5.00257 -21.711 TIMING: 831200 CPU: 2590.61, 0.00309785/step Wall: 2590.61, 0.00309785/step, 3.58731 hours remaining, 234.183594 MB of memory in use. ENERGY: 831200 4013.3928 20414.2944 14443.8442 238.8130 -202701.4944 2370.1156 0.0000 0.0000 51849.3600 -109371.6745 297.9790 -161221.0344 -109012.3883 298.1260 -167.1265 -143.6796 763853.2130 -14.4946 -14.5913 PRESSURE: 831400 -65.623 223.523 -144.022 223.523 72.6687 -12.2966 -144.022 -12.2962 15.8347 GPRESSURE: 831400 -77.6577 118.68 -163.399 121.133 109.52 -18.2912 -184.589 -13.5792 69.6003 PRESSAVG: 831400 33.0509 62.7165 -26.402 62.7165 -13.5945 -18.4318 -26.402 -18.4317 -7.69107 GPRESSAVG: 831400 32.0602 64.9211 -24.8263 62.0939 -12.7147 -17.4007 -25.1376 -16.8087 -7.83955 TIMING: 831400 CPU: 2591.23, 0.00309026/step Wall: 2591.23, 0.00309026/step, 3.57834 hours remaining, 234.183594 MB of memory in use. ENERGY: 831400 3881.9855 20383.3608 14453.7104 243.1673 -203471.3964 2916.5364 0.0000 0.0000 52109.8046 -109482.8315 299.4758 -161592.6360 -109118.3819 297.9603 7.6268 33.8209 762098.7233 3.9218 3.8353 PRESSURE: 831600 -73.4145 -12.4245 77.8324 -12.4238 66.1348 -86.3479 77.8333 -86.3478 157.879 GPRESSURE: 831600 -67.0971 31.3486 173.196 5.88915 122.244 -101.27 -28.7675 -110.602 192.963 PRESSAVG: 831600 -0.0837946 5.56322 -52.8724 5.56322 -3.20553 -27.4531 -52.8724 -27.4531 9.056 GPRESSAVG: 831600 0.137744 3.61041 -54.8235 6.55534 -3.84038 -30.0573 -52.3892 -27.847 9.80728 TIMING: 831600 CPU: 2591.85, 0.00309327/step Wall: 2591.85, 0.00309327/step, 3.58166 hours remaining, 234.183594 MB of memory in use. ENERGY: 831600 4076.4209 20609.8744 14389.8029 252.4914 -203584.6602 2936.8511 0.0000 0.0000 52091.8196 -109227.3999 299.3724 -161319.2195 -108872.9290 298.4375 50.1998 82.7035 762580.7025 1.9222 2.0349 PRESSURE: 831800 -15.4047 -23.1206 211.435 -23.1201 -67.3488 -51.3521 211.434 -51.3518 389.265 GPRESSURE: 831800 48.9929 -46.9835 191.443 -18.7779 -6.598 -6.90389 206.233 82.3171 358.401 PRESSAVG: 831800 -6.25735 18.7287 3.13168 18.7287 10.3277 17.948 3.13171 17.948 17.6825 GPRESSAVG: 831800 -6.99345 20.188 3.9945 17.9953 10.5179 19.731 3.18741 18.6254 18.3168 TIMING: 831800 CPU: 2592.47, 0.0030986/step Wall: 2592.47, 0.0030986/step, 3.58766 hours remaining, 234.183594 MB of memory in use. ENERGY: 831800 3947.9904 20493.2957 14415.6485 260.4034 -203263.2959 2835.7122 0.0000 0.0000 52113.5120 -109196.7337 299.4971 -161310.2456 -108827.5572 298.9159 102.1705 133.5988 764023.4818 7.2509 7.2804 PRESSURE: 832000 -31.7617 -109.156 -24.5799 -109.156 -153.448 -154.81 -24.579 -154.81 81.8955 GPRESSURE: 832000 114.073 -43.7083 -45.687 -171.933 -186.721 -131.104 45.4039 -65.5152 57.9997 PRESSAVG: 832000 -47.2496 -4.79608 -5.30049 -4.79606 -2.65174 -5.38043 -5.30051 -5.38041 4.47148 GPRESSAVG: 832000 -45.2711 -6.53429 -3.25956 -4.06443 -2.88933 -4.79667 -5.84839 -4.11924 2.49139 TIMING: 832000 CPU: 2593.08, 0.00309078/step Wall: 2593.08, 0.00309078/step, 3.57843 hours remaining, 234.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 832000 3988.8230 20618.0612 14450.1756 241.2464 -202951.8852 2654.6745 0.0000 0.0000 51876.1628 -109122.7416 298.1330 -160998.9044 -108757.4845 299.2527 -34.4381 -4.8829 764438.0436 -15.1433 -15.2230 PRESSURE: 832200 144.986 87.8022 -60.5546 87.8021 19.5534 -36.6151 -60.5551 -36.6159 7.10155 GPRESSURE: 832200 128.35 239.3 -118.964 138.171 1.37765 -91.0901 29.5077 -151.413 112.924 PRESSAVG: 832200 27.5549 21.2939 28.4171 21.2939 6.97346 -13.0027 28.4171 -13.0027 4.91339 GPRESSAVG: 832200 26.482 22.1109 25.4717 21.4398 6.03406 -14.5274 27.6529 -13.9656 6.21138 TIMING: 832200 CPU: 2593.7, 0.00309561/step Wall: 2593.7, 0.00309561/step, 3.58386 hours remaining, 234.183594 MB of memory in use. ENERGY: 832200 4017.7745 20672.2430 14394.3149 243.8385 -203144.0234 2776.9703 0.0000 0.0000 52057.2976 -108981.5846 299.1740 -161038.8822 -108619.2278 299.6932 57.2137 80.8840 764512.7405 13.1472 12.9092 LDB: ============= START OF LOAD BALANCING ============== 2606.18 LDB: ============== END OF LOAD BALANCING =============== 2606.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2606.18 LDB: ============= START OF LOAD BALANCING ============== 2606.49 LDB: Largest compute 6972 load 0.030553 is 15.7% of average load 0.195013 LDB: Average compute 0.004385 is 2.2% of average load 0.195013 LDB: TIME 2606.49 LOAD: AVG 0.195013 MAX 0.213678 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.75 MB LDB: TIME 2606.49 LOAD: AVG 0.195013 MAX 0.213678 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.789 MB LDB: TIME 2606.49 LOAD: AVG 0.195013 MAX 0.213678 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.789 MB LDB: ============== END OF LOAD BALANCING =============== 2606.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2606.5 PRESSURE: 832400 238.247 -41.1796 20.1762 -41.1793 66.253 293.768 20.176 293.769 -27.3319 GPRESSURE: 832400 175.085 14.5377 -26.3932 -70.1575 146.163 356.742 102.242 175.034 14.4671 PRESSAVG: 832400 -38.6642 19.8529 -13.7743 19.8529 29.2697 15.8196 -13.7744 15.8196 0.654035 GPRESSAVG: 832400 -39.4663 18.6143 -12.5099 19.2322 30.2222 15.6849 -13.0993 16.346 0.505731 TIMING: 832400 CPU: 2594.33, 0.00315551/step Wall: 2594.33, 0.00315551/step, 3.65303 hours remaining, 234.562500 MB of memory in use. ENERGY: 832400 3950.3149 20836.5844 14442.2669 250.2184 -203181.0323 2743.9376 0.0000 0.0000 51988.0734 -108969.6367 298.7762 -160957.7101 -108601.5099 299.2207 92.3895 111.9049 764787.3554 -2.9135 -2.9128 PRESSURE: 832600 273.325 143.913 88.4858 143.914 8.22641 134.894 88.4868 134.894 -93.7779 GPRESSURE: 832600 282.137 118.275 67.3136 171.311 48.7737 190.744 29.5127 26.6554 -85.2914 PRESSAVG: 832600 -17.9991 1.32194 18.766 1.32186 36.1603 -2.55679 18.7659 -2.55673 -10.7069 GPRESSAVG: 832600 -18.1482 2.47332 16.9513 2.48248 36.7762 0.220375 19.9962 -5.2214 -11.0827 TIMING: 832600 CPU: 2594.96, 0.00310932/step Wall: 2594.96, 0.00310932/step, 3.59938 hours remaining, 234.562500 MB of memory in use. ENERGY: 832600 4026.0706 20625.5357 14484.0003 230.9778 -203314.2617 2984.9776 0.0000 0.0000 52172.1732 -108790.5265 299.8342 -160962.6997 -108419.6690 299.2833 62.5911 81.8730 765255.7825 2.4848 2.5151 PRESSURE: 832800 -174.87 136.189 7.48745 136.19 -137.014 -41.2962 7.48783 -41.2968 -80.0254 GPRESSURE: 832800 -121.246 138.366 -25.0004 122.921 -126.593 -78.7886 -75.2807 -58.3079 -70.0243 PRESSAVG: 832800 8.08344 -23.3384 3.04845 -23.3385 -12.8068 80.0446 3.04843 80.0446 14.357 GPRESSAVG: 832800 9.80624 -21.8268 5.20878 -25.4471 -13.7862 77.7625 1.58463 81.5646 13.8349 TIMING: 832800 CPU: 2595.58, 0.00311528/step Wall: 2595.58, 0.00311528/step, 3.60611 hours remaining, 234.562500 MB of memory in use. ENERGY: 832800 4005.9117 20567.7239 14551.2591 265.2704 -203284.4882 2806.3973 0.0000 0.0000 52078.3385 -109009.5872 299.2949 -161087.9257 -108650.5985 299.5869 -130.6364 -105.9544 764602.5081 3.2112 3.2850 PRESSURE: 833000 -242.227 -118.835 -382.818 -118.835 -567.257 -216.247 -382.818 -216.248 209.273 GPRESSURE: 833000 -186.176 -109.789 -423.346 -133.811 -467.641 -220.198 -214.77 -174.71 132.241 PRESSAVG: 833000 12.8418 -1.8906 11.3072 -1.89065 -34.4689 24.227 11.3072 24.227 17.226 GPRESSAVG: 833000 12.7545 -3.86799 9.22894 0.291712 -34.5397 24.4465 10.7751 23.9803 17.0623 TIMING: 833000 CPU: 2596.2, 0.00310548/step Wall: 2596.2, 0.00310548/step, 3.5946 hours remaining, 234.562500 MB of memory in use. ENERGY: 833000 4016.6647 20561.4371 14470.6554 240.3131 -202683.6436 2414.6176 0.0000 0.0000 51911.6149 -109068.3409 298.3368 -160979.9558 -108702.2213 299.1115 -200.0701 -173.8584 765421.5608 -1.4670 -1.5743 PRESSURE: 833200 59.5996 155.345 41.4729 155.345 25.7065 11.5493 41.4725 11.55 -131.913 GPRESSURE: 833200 99.1903 144.916 -61.2132 45.0436 -23.7636 58.8814 63.7916 -38.6236 -29.7972 PRESSAVG: 833200 42.5747 -7.0648 23.3874 -7.0648 -41.4853 -8.19462 23.3874 -8.19462 0.977342 GPRESSAVG: 833200 40.5574 -7.98717 24.5601 -7.74355 -40.4069 -8.29635 24.9253 -8.05233 1.51922 TIMING: 833200 CPU: 2596.82, 0.00310114/step Wall: 2596.82, 0.00310114/step, 3.5894 hours remaining, 234.562500 MB of memory in use. ENERGY: 833200 4013.6153 20346.7269 14391.9586 255.1713 -202604.2635 2736.8746 0.0000 0.0000 51445.1907 -109414.7261 295.6562 -160859.9168 -109052.1045 298.7967 -15.5357 15.2098 766455.1125 0.6889 0.5566 PRESSURE: 833400 21.7935 79.6663 -31.0355 79.6664 -30.6738 -76.207 -31.0347 -76.2075 -148.04 GPRESSURE: 833400 76.0733 91.5746 -28.7551 118.587 58.0366 -91.0192 -17.969 -89.4647 -201.252 PRESSAVG: 833400 15.9144 12.09 20.1887 12.09 -33.6762 24.7799 20.1887 24.7799 1.37889 GPRESSAVG: 833400 17.6263 13.9473 21.1704 12.4953 -35.698 25.0005 18.053 25.448 1.28314 TIMING: 833400 CPU: 2597.44, 0.00309806/step Wall: 2597.44, 0.00309806/step, 3.58566 hours remaining, 234.562500 MB of memory in use. ENERGY: 833400 3936.4556 20326.3027 14425.0976 242.7857 -203155.8099 2962.0373 0.0000 0.0000 52071.3087 -109191.8223 299.2545 -161263.1310 -108822.2507 297.9505 -52.3066 -22.3806 767238.7484 -5.4610 -5.5962 PRESSURE: 833600 492.013 81.4554 -32.2169 81.4548 141.41 226.236 -32.2172 226.234 59.0019 GPRESSURE: 833600 420.057 31.2578 -44.9418 145.549 217.018 296.767 81.0463 126.219 126.699 PRESSAVG: 833600 12.3018 -23.1503 41.0179 -23.1503 -10.6761 70.2385 41.0179 70.2384 2.53784 GPRESSAVG: 833600 11.3776 -22.9046 38.9862 -23.1621 -9.14455 69.4896 41.663 70.0676 1.34176 TIMING: 833600 CPU: 2598.06, 0.00309563/step Wall: 2598.06, 0.00309563/step, 3.58267 hours remaining, 234.562500 MB of memory in use. ENERGY: 833600 3902.8267 20287.4764 14444.4879 240.9896 -203438.8458 3438.1265 0.0000 0.0000 51914.5190 -109210.4198 298.3535 -161124.9388 -108847.1453 298.1998 230.8084 254.5914 765970.1655 1.3879 1.1916 PRESSURE: 833800 -165.013 -21.3224 -173.09 -21.3229 -270.082 -151.344 -173.09 -151.345 -103.135 GPRESSURE: 833800 -163.52 4.1047 -77.3286 44.0422 -200.948 -248.252 -104.344 -216.609 -80.2416 PRESSAVG: 833800 37.8375 24.069 29.4113 24.069 -29.6725 17.5666 29.4112 17.5666 -3.96767 GPRESSAVG: 833800 37.1003 25.3558 29.9982 22.1585 -29.3445 18.6264 30.1696 18.4071 -2.59335 TIMING: 833800 CPU: 2598.68, 0.00309462/step Wall: 2598.68, 0.00309462/step, 3.58133 hours remaining, 234.562500 MB of memory in use. ENERGY: 833800 3940.6983 20358.6291 14478.3661 247.8154 -202634.0176 2452.0371 0.0000 0.0000 51972.2347 -109184.2370 298.6851 -161156.4716 -108824.6310 298.6922 -179.4101 -148.2366 765118.2046 1.3991 1.7208 PRESSURE: 834000 73.5882 51.9233 197.225 51.9227 26.4774 -27.526 197.225 -27.5259 -270.075 GPRESSURE: 834000 102.908 27.7095 257.873 -74.9613 45.7389 -26.4542 107.532 19.2843 -261.726 PRESSAVG: 834000 5.36209 -7.37973 47.3095 -7.37967 -15.5209 15.7379 47.3095 15.738 -2.08577 GPRESSAVG: 834000 5.40789 -7.90226 47.6708 -5.17491 -16.3714 14.5928 45.5254 13.9489 -1.45647 TIMING: 834000 CPU: 2599.3, 0.00310809/step Wall: 2599.3, 0.00310809/step, 3.59675 hours remaining, 234.562500 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: 834000 4009.9115 20476.1756 14548.5190 252.5686 -202901.1329 2715.3647 0.0000 0.0000 51960.1364 -108938.4572 298.6156 -160898.5935 -108579.5192 298.9926 -56.6698 -37.6932 763554.6489 -4.0815 -4.1400 PRESSURE: 834200 113.996 91.4912 197.884 91.4911 278.355 57.2235 197.885 57.2237 322.286 GPRESSURE: 834200 105.486 60.6645 199.876 23.9721 319.941 74.1255 89.1638 113.598 351.814 PRESSAVG: 834200 -5.95241 -9.22604 9.49685 -9.22602 -9.46598 -24.6671 9.49692 -24.6671 15.5409 GPRESSAVG: 834200 -4.08054 -10.844 8.32062 -11.0129 -8.98273 -24.8158 10.0721 -21.6934 13.1839 TIMING: 834200 CPU: 2599.92, 0.00310598/step Wall: 2599.92, 0.00310598/step, 3.59413 hours remaining, 234.562500 MB of memory in use. ENERGY: 834200 3915.1243 20264.2612 14471.6190 258.1902 -203101.8432 3230.9422 0.0000 0.0000 51907.0479 -109054.6584 298.3105 -160961.7063 -108687.3772 299.0599 238.2121 259.0803 764314.9544 0.0408 0.0402 PRESSURE: 834400 -40.8553 -169.776 -258.926 -169.777 -51.597 14.0486 -258.926 14.0471 69.3254 GPRESSURE: 834400 -56.2186 -81.3187 -293.952 -198.928 -47.4002 32.4328 -177.58 -37.0834 160.304 PRESSAVG: 834400 -5.05374 22.3625 -12.1699 22.3624 19.2438 -15.545 -12.1697 -15.545 -1.43046 GPRESSAVG: 834400 -5.79002 22.8669 -10.7933 23.429 18.1759 -15.2976 -14.1691 -16.8077 -0.0791916 TIMING: 834400 CPU: 2600.54, 0.00310991/step Wall: 2600.54, 0.00310991/step, 3.59851 hours remaining, 234.562500 MB of memory in use. ENERGY: 834400 4042.8823 20388.7803 14482.7802 256.3186 -202771.3040 2923.3558 0.0000 0.0000 51755.6609 -108921.5259 297.4405 -160677.1867 -108571.9954 299.2964 -7.7090 18.8949 764360.1477 4.2532 4.1022 PRESSURE: 834600 -115.237 -78.2215 -69.4661 -78.2224 -240.629 56.3597 -69.4662 56.3593 3.15499 GPRESSURE: 834600 -75.5685 -28.141 -63.323 -9.07094 -180.182 33.4497 -104.688 88.3675 -27.1681 PRESSAVG: 834600 8.22348 -7.78811 -14.2364 -7.78812 42.0038 -41.622 -14.2364 -41.6221 5.46927 GPRESSAVG: 834600 8.43588 -9.47645 -15.0921 -8.0401 41.3108 -40.7955 -10.7665 -42.9115 6.43816 TIMING: 834600 CPU: 2601.16, 0.00310425/step Wall: 2601.16, 0.00310425/step, 3.59179 hours remaining, 234.562500 MB of memory in use. ENERGY: 834600 3903.3387 20410.0504 14447.9075 218.8621 -203359.3888 2941.2392 0.0000 0.0000 52118.1489 -109319.8421 299.5237 -161437.9910 -108949.8320 299.0107 -117.5703 -94.3062 763427.1368 18.5655 18.7283 PRESSURE: 834800 -179.333 24.4142 -0.989927 24.4143 75.5498 -61.5421 -0.989673 -61.5421 -114.67 GPRESSURE: 834800 -119.73 41.925 -10.5955 73.6756 142.694 -150.594 -22.2575 -113.093 -150.929 PRESSAVG: 834800 12.8871 52.0763 54.2428 52.0764 0.704713 23.9028 54.2428 23.9028 8.28881 GPRESSAVG: 834800 13.8905 53.6592 53.7006 50.4118 -0.216355 23.91 53.4285 24.8313 8.34672 TIMING: 834800 CPU: 2601.79, 0.00311659/step Wall: 2601.79, 0.00311659/step, 3.6059 hours remaining, 234.562500 MB of memory in use. ENERGY: 834800 3902.2511 20512.6261 14538.2149 234.1797 -203036.8392 2731.0361 0.0000 0.0000 52141.4340 -108977.0974 299.6575 -161118.5313 -108615.8634 299.0452 -72.8178 -42.6551 762257.6939 7.2935 7.3403 PRESSURE: 835000 -402.835 111.041 -65.0517 111.041 -194.652 22.9249 -65.0518 22.9253 -120.943 GPRESSURE: 835000 -308.443 -30.0401 31.7779 216.491 -201.963 -9.26449 -115.825 -59.7975 -120.248 PRESSAVG: 835000 -33.9214 2.00846 -70.4515 2.00851 31.9786 -16.6877 -70.4515 -16.6876 -24.9915 GPRESSAVG: 835000 -34.9109 1.30874 -70.433 4.2123 34.4457 -18.1371 -70.4914 -16.3213 -26.2653 TIMING: 835000 CPU: 2602.41, 0.0030964/step Wall: 2602.41, 0.0030964/step, 3.58236 hours remaining, 234.562500 MB of memory in use. ENERGY: 835000 4033.2939 20501.0295 14535.3064 242.5746 -202914.1475 2722.0884 0.0000 0.0000 52010.1977 -108869.6569 298.9033 -160879.8546 -108516.1650 299.4890 -239.4767 -210.2180 763874.5639 -8.9781 -8.9102 PRESSURE: 835200 -293.549 -128.028 -18.4333 -128.028 -272.792 38.451 -18.4344 38.4509 71.6159 GPRESSURE: 835200 -228.642 -48.0062 6.52574 -115.454 -171.235 18.6793 2.685 136.564 17.0324 PRESSAVG: 835200 -2.35988 -15.0925 -30.9698 -15.0925 4.53359 -14.1484 -30.9697 -14.1484 -21.7617 GPRESSAVG: 835200 -2.32572 -13.028 -30.0566 -15.559 3.43242 -13.223 -30.6929 -14.9814 -20.1645 TIMING: 835200 CPU: 2603.03, 0.00310892/step Wall: 2603.03, 0.00310892/step, 3.59668 hours remaining, 234.562500 MB of memory in use. ENERGY: 835200 3994.1651 20472.0240 14476.5878 266.7236 -202996.3520 2854.1738 0.0000 0.0000 52292.2108 -108640.4670 300.5241 -160932.6778 -108277.7721 300.0159 -164.9084 -127.6147 765037.1131 -6.5293 -6.3526 PRESSURE: 835400 -260.15 -112.483 27.694 -112.482 -1.77168 33.1229 27.6937 33.1218 70.5725 GPRESSURE: 835400 -202.797 -57.3089 59.7831 -164.444 20.4138 58.9066 -29.8607 -60.4751 63.7665 PRESSAVG: 835400 59.5512 -37.7814 -33.5393 -37.7814 9.34094 53.7339 -33.5393 53.7338 -11.8399 GPRESSAVG: 835400 59.4922 -37.2357 -32.6695 -38.9481 9.16667 54.1354 -33.887 52.4998 -11.4926 TIMING: 835400 CPU: 2603.65, 0.00310647/step Wall: 2603.65, 0.00310647/step, 3.59367 hours remaining, 234.562500 MB of memory in use. ENERGY: 835400 3928.2760 20484.9487 14549.4642 224.7983 -202896.4906 2908.5841 0.0000 0.0000 52034.9723 -108765.4468 299.0457 -160800.4191 -108407.2211 299.7593 -63.7832 -39.5390 764828.8655 19.0174 19.0554 PRESSURE: 835600 -275.989 86.66 -11.0511 86.6608 -249.275 47.2507 -11.0515 47.2495 -183.696 GPRESSURE: 835600 -336.544 -24.565 -123.954 19.1297 -156.531 50.864 41.9247 -33.2634 -115.967 PRESSAVG: 835600 -41.1248 -66.486 -28.7559 -66.486 -6.50145 -59.5784 -28.7559 -59.5786 34.677 GPRESSAVG: 835600 -41.5981 -68.2121 -28.4222 -64.1426 -5.16421 -59.6502 -30.0365 -60.229 32.9487 TIMING: 835600 CPU: 2604.27, 0.00311076/step Wall: 2604.27, 0.00311076/step, 3.59846 hours remaining, 234.562500 MB of memory in use. ENERGY: 835600 4002.3762 20541.3359 14466.4742 243.8626 -202793.7473 2709.3157 0.0000 0.0000 52140.0492 -108690.3336 299.6496 -160830.3828 -108330.5705 299.7373 -236.3200 -203.0138 765435.0334 -4.3164 -4.6045 PRESSURE: 835800 -31.2761 -22.7687 -8.02921 -22.7689 49.6188 -72.0864 -8.02948 -72.0852 -137.167 GPRESSURE: 835800 109.934 14.1933 -140.028 -56.4949 28.7972 -48.9328 100.917 -159.443 -140.934 PRESSAVG: 835800 24.9856 -83.5469 1.49056 -83.5469 26.7862 -21.0496 1.4906 -21.0497 -4.84659 GPRESSAVG: 835800 26.29 -82.4497 0.198561 -84.4995 24.5026 -22.1544 4.27391 -19.1626 -4.23799 TIMING: 835800 CPU: 2604.89, 0.00309799/step Wall: 2604.89, 0.00309798/step, 3.58351 hours remaining, 234.562500 MB of memory in use. ENERGY: 835800 3986.9244 20418.0227 14481.5436 235.6969 -202872.8196 2742.9485 0.0000 0.0000 52090.7835 -108916.9000 299.3664 -161007.6834 -108554.9551 299.7311 -39.6082 -0.7342 763559.6654 15.6417 15.5182 PRESSURE: 836000 215.137 112.483 -259.866 112.484 -30.7853 -26.5514 -259.865 -26.5504 345.199 GPRESSURE: 836000 156.878 122.22 -231.892 155.432 71.4127 -86.7657 -285.553 -39.1048 370.524 PRESSAVG: 836000 19.5088 -16.4431 -29.5106 -16.443 -23.2675 17.2317 -29.5107 17.2318 -11.2749 GPRESSAVG: 836000 17.479 -16.153 -29.4907 -15.9258 -21.4468 18.9292 -30.8335 15.6233 -11.3858 TIMING: 836000 CPU: 2605.51, 0.0030835/step Wall: 2605.51, 0.0030835/step, 3.56659 hours remaining, 234.562500 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: 836000 3940.8352 20590.9416 14517.7310 236.1756 -203097.5865 2851.3392 0.0000 0.0000 51933.5846 -109026.9794 298.4630 -160960.5639 -108659.9281 299.1723 176.5169 199.6048 765080.0981 -5.0112 -5.1179 PRESSURE: 836200 208.116 160.791 -112.178 160.791 -236.534 -22.1464 -112.178 -22.1465 -214.461 GPRESSURE: 836200 123.235 124.053 -100.656 98.5062 -159.96 -12.0724 -83.7823 29.2205 -109.604 PRESSAVG: 836200 39.2746 -12.1815 -15.2977 -12.1816 -5.84674 4.19707 -15.2976 4.19704 -5.82206 GPRESSAVG: 836200 39.2352 -13.8357 -14.9795 -12.0361 -5.98611 4.31155 -14.4971 4.91069 -5.66544 TIMING: 836200 CPU: 2606.13, 0.00309874/step Wall: 2606.13, 0.00309874/step, 3.58404 hours remaining, 234.562500 MB of memory in use. ENERGY: 836200 3944.9908 20533.1843 14451.2262 258.2387 -202864.9219 2758.6122 0.0000 0.0000 51931.7183 -108986.9514 298.4523 -160918.6698 -108625.1813 299.1388 -80.9597 -48.7763 765461.0513 9.2020 9.1945 LDB: ============= START OF LOAD BALANCING ============== 2618.61 LDB: ============== END OF LOAD BALANCING =============== 2618.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2618.61 LDB: ============= START OF LOAD BALANCING ============== 2618.92 LDB: Largest compute 6972 load 0.031558 is 16.2% of average load 0.194952 LDB: Average compute 0.004389 is 2.3% of average load 0.194952 LDB: TIME 2618.92 LOAD: AVG 0.194952 MAX 0.213185 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.539 MB LDB: TIME 2618.92 LOAD: AVG 0.194952 MAX 0.213185 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.539 MB LDB: TIME 2618.92 LOAD: AVG 0.194952 MAX 0.213185 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.539 MB LDB: ============== END OF LOAD BALANCING =============== 2618.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2618.93 PRESSURE: 836400 -497.028 -21.8319 166.738 -21.8316 -527.051 75.648 166.739 75.6489 -181.453 GPRESSURE: 836400 -355.284 -72.0259 224.083 12.7086 -530.626 -24.7247 83.5608 48.455 -252.161 PRESSAVG: 836400 34.6715 10.5727 -43.4458 10.5727 -21.9453 -5.73353 -43.4458 -5.73353 8.22277 GPRESSAVG: 836400 35.3863 10.2509 -43.7313 10.3817 -22.7948 -6.02974 -43.8808 -7.26222 8.07807 TIMING: 836400 CPU: 2606.77, 0.00318838/step Wall: 2606.77, 0.00318838/step, 3.68754 hours remaining, 234.050781 MB of memory in use. ENERGY: 836400 4031.6105 20568.8695 14443.3088 269.3774 -202754.3040 2475.9224 0.0000 0.0000 51807.7336 -109157.4818 297.7398 -160965.2154 -108799.8163 298.8140 -401.8439 -379.3571 766466.4319 6.9830 6.8899 PRESSURE: 836600 -73.3885 -247.665 134.353 -247.665 251.068 -129.838 134.353 -129.839 9.5797 GPRESSURE: 836600 -62.0575 -185.834 174.742 -201.893 245.58 -153.544 36.6712 -86.7799 80.0202 PRESSAVG: 836600 29.448 -14.6348 11.1705 -14.6348 29.1978 -39.4713 11.1705 -39.4713 8.50552 GPRESSAVG: 836600 29.6954 -14.0412 10.7822 -15.8965 28.5469 -40.3741 11.9233 -37.758 8.70957 TIMING: 836600 CPU: 2607.39, 0.0031055/step Wall: 2607.39, 0.0031055/step, 3.59151 hours remaining, 234.050781 MB of memory in use. ENERGY: 836600 4070.3965 20437.6188 14544.9403 235.3570 -203328.4566 2809.4873 0.0000 0.0000 51873.9280 -109356.7286 298.1202 -161230.6567 -108997.8333 297.8374 62.4198 87.8475 763948.8215 22.3838 22.3173 PRESSURE: 836800 115.244 -94.95 -204.696 -94.951 -136.879 -52.0675 -204.696 -52.0685 -49.0501 GPRESSURE: 836800 118.202 40.8952 -205.829 -143.717 -208.953 -83.9632 -235.388 43.4629 80.9414 PRESSAVG: 836800 34.3175 24.5943 -5.74434 24.5943 -57.2995 31.0904 -5.74443 31.0903 -39.912 GPRESSAVG: 836800 32.9436 24.062 -4.58622 24.6404 -56.5824 31.9746 -8.18862 30.6096 -39.5633 TIMING: 836800 CPU: 2608.01, 0.00313258/step Wall: 2608.01, 0.00313258/step, 3.62265 hours remaining, 234.050781 MB of memory in use. ENERGY: 836800 4066.2211 20518.7129 14450.8489 238.6445 -203124.6611 2823.0411 0.0000 0.0000 51893.8309 -109133.3616 298.2346 -161027.1926 -108768.5052 298.4844 -23.5617 -3.2697 764353.6346 -20.9647 -21.0674 PRESSURE: 837000 212.733 230.23 -128.146 230.23 -98.6159 55.7376 -128.146 55.7376 -212.363 GPRESSURE: 837000 272.302 179.56 2.12701 33.311 -28.9391 -7.9248 -77.8448 15.3533 -259.111 PRESSAVG: 837000 17.8408 8.88783 12.6019 8.88785 7.14976 -18.3743 12.6019 -18.3742 -11.5049 GPRESSAVG: 837000 18.6936 12.3895 12.5664 7.85772 8.36467 -17.416 14.1041 -21.0167 -12.4046 TIMING: 837000 CPU: 2608.64, 0.0031291/step Wall: 2608.64, 0.0031291/step, 3.61845 hours remaining, 234.050781 MB of memory in use. ENERGY: 837000 4078.9237 20488.9186 14440.5125 268.3658 -203037.5354 2953.3965 0.0000 0.0000 51846.9561 -108960.4621 297.9652 -160807.4182 -108603.7861 298.9037 -32.7488 -5.2493 763172.7866 4.4952 4.8845 PRESSURE: 837200 -155.969 -72.9028 90.3743 -72.9033 173.707 -297.61 90.3742 -297.61 -29.5331 GPRESSURE: 837200 -80.7862 -126.918 66.583 -116.32 225.203 -167.313 16.3056 -169.402 -76.8305 PRESSAVG: 837200 45.9091 -7.22543 4.25457 -7.22546 -4.76548 23.0434 4.25452 23.0434 28.6794 GPRESSAVG: 837200 46.0862 -10.0556 2.54356 -7.58422 -4.48964 21.6212 6.1862 24.2988 28.594 TIMING: 837200 CPU: 2609.26, 0.00312511/step Wall: 2609.26, 0.00312511/step, 3.61367 hours remaining, 234.050781 MB of memory in use. ENERGY: 837200 3991.7020 20433.1581 14495.5630 268.6560 -203099.0808 2987.6075 0.0000 0.0000 51814.4587 -109107.9355 297.7784 -160922.3941 -108742.2768 299.2473 -3.9318 22.5288 762538.8255 23.2743 23.3969 PRESSURE: 837400 33.3916 162.148 67.7501 162.148 197.172 102.402 67.7499 102.401 22.3769 GPRESSURE: 837400 14.9954 91.8925 -12.8591 188.121 247.214 31.89 -109.682 2.88953 72.5461 PRESSAVG: 837400 -22.1597 14.5352 20.0899 14.5352 17.7243 -3.73248 20.09 -3.73245 4.04824 GPRESSAVG: 837400 -21.6537 16.151 21.8261 15.6126 16.2911 -4.85008 16.6061 -2.12532 5.0154 TIMING: 837400 CPU: 2609.89, 0.0031048/step Wall: 2609.89, 0.0031048/step, 3.59001 hours remaining, 234.050781 MB of memory in use. ENERGY: 837400 4050.3627 20454.7567 14496.3083 249.4575 -203204.6572 2901.4209 0.0000 0.0000 52130.2529 -108922.0982 299.5933 -161052.3511 -108555.7752 299.1043 84.3134 111.5852 764250.5946 -0.1290 -0.1157 PRESSURE: 837600 6.58314 -104.362 -50.9171 -104.361 -219.327 -48.1783 -50.9165 -48.1787 -224.578 GPRESSURE: 837600 -62.2532 -171.349 -60.9906 -36.8808 -232.709 -19.8211 34.8635 -7.13958 -66.9097 PRESSAVG: 837600 -24.8614 9.92267 -29.9208 9.9227 49.3287 28.4757 -29.9209 28.4757 -24.4292 GPRESSAVG: 837600 -24.8512 8.78408 -30.3068 9.43833 49.548 29.4529 -27.3215 27.9111 -25.1264 TIMING: 837600 CPU: 2610.51, 0.00311412/step Wall: 2610.51, 0.00311412/step, 3.60062 hours remaining, 234.050781 MB of memory in use. ENERGY: 837600 3965.9424 20684.1308 14526.3525 261.5074 -202708.1856 2602.3866 0.0000 0.0000 51944.0834 -108723.7825 298.5234 -160667.8660 -108367.9848 299.1925 -145.7740 -120.6241 764038.0173 0.0127 -0.1432 PRESSURE: 837800 106.974 90.5775 22.6879 90.5789 400.152 95.4885 22.6885 95.4886 -158.301 GPRESSURE: 837800 194.142 91.9853 41.919 43.3273 376.016 170.274 67.1383 170.259 -142.708 PRESSAVG: 837800 -38.7876 10.3926 -13.9545 10.3925 65.2073 -49.3566 -13.9545 -49.3567 -4.55288 GPRESSAVG: 837800 -39.0295 10.7413 -14.7842 11.9004 64.2541 -50.2774 -13.4363 -48.7167 -3.6311 TIMING: 837800 CPU: 2611.13, 0.00311063/step Wall: 2611.13, 0.00311063/step, 3.59641 hours remaining, 234.050781 MB of memory in use. ENERGY: 837800 3911.3381 20572.1547 14536.7016 243.0636 -202915.5119 2700.6074 0.0000 0.0000 52183.9415 -108767.7051 299.9018 -160951.6466 -108403.3938 299.6507 116.2750 142.4833 764213.7416 7.2890 7.1978 PRESSURE: 838000 344.498 -47.852 137.115 -47.8524 4.17886 118.627 137.114 118.628 -71.7225 GPRESSURE: 838000 295.991 -19.0365 191.346 -156.652 29.8795 155.427 175.531 138.599 39.0281 PRESSAVG: 838000 20.3301 -43.1181 24.749 -43.118 7.24153 21.3445 24.749 21.3445 11.9476 GPRESSAVG: 838000 19.7041 -43.2944 24.0106 -43.5422 7.77292 22.2829 26.2438 19.2628 11.9658 TIMING: 838000 CPU: 2611.75, 0.00311472/step Wall: 2611.75, 0.00311472/step, 3.60096 hours remaining, 234.050781 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: 838000 4011.9058 20525.9773 14443.4968 258.2620 -203435.6124 3009.0973 0.0000 0.0000 52399.6776 -108787.1955 301.1417 -161186.8731 -108419.7503 299.5635 92.3180 121.6329 763539.4773 13.1731 13.1476 PRESSURE: 838200 31.8372 95.9438 -51.1481 95.9442 229.511 147.953 -51.1478 147.952 267.098 GPRESSURE: 838200 156.993 -11.9209 -97.8912 198.883 219.909 58.2986 -62.4252 101.457 230.341 PRESSAVG: 838200 1.31311 -35.0423 -19.9095 -35.0423 1.27905 29.2399 -19.9095 29.2399 -6.96677 GPRESSAVG: 838200 1.79878 -35.7219 -18.0976 -33.9307 1.88513 28.1733 -21.4743 30.2128 -8.89292 TIMING: 838200 CPU: 2612.38, 0.00312247/step Wall: 2612.38, 0.00312247/step, 3.60974 hours remaining, 234.050781 MB of memory in use. ENERGY: 838200 4005.3513 20399.5133 14420.2469 236.3235 -203118.5797 3055.8733 0.0000 0.0000 52269.1116 -108732.1599 300.3913 -161001.2715 -108367.7763 299.8653 176.1486 202.4145 763694.1140 -1.4582 -1.7363 PRESSURE: 838400 -182.29 1.07947 26.7382 1.07995 -216.629 170.749 26.7379 170.75 -42.5164 GPRESSURE: 838400 -166.278 48.6136 -99.343 -15.48 -186.141 224.162 -28.3477 123.905 3.43909 PRESSAVG: 838400 14.1302 16.1323 -32.2417 16.1324 6.75259 41.4318 -32.2417 41.4318 1.9414 GPRESSAVG: 838400 15.244 16.9145 -32.9044 15.4272 5.61611 42.7268 -33.4191 42.9593 2.19222 TIMING: 838400 CPU: 2613, 0.00311093/step Wall: 2613, 0.00311093/step, 3.59624 hours remaining, 234.050781 MB of memory in use. ENERGY: 838400 4031.2823 20562.5208 14491.1629 239.7278 -202836.3398 2844.8906 0.0000 0.0000 51980.7168 -108686.0385 298.7339 -160666.7554 -108326.2635 299.8316 -147.1452 -116.3266 763420.1826 7.6081 7.6841 PRESSURE: 838600 55.4297 -130.451 -170.461 -130.45 424.393 212.621 -170.461 212.621 -34.3107 GPRESSURE: 838600 73.1981 -113.946 -116.122 -52.3218 443.986 228.018 -86.8823 35.7892 -9.62732 PRESSAVG: 838600 -51.0888 5.94351 -27.4645 5.94355 58.771 23.1905 -27.4645 23.1905 -16.6147 GPRESSAVG: 838600 -52.6699 5.77844 -25.7932 5.91359 59.6833 23.1238 -26.7348 20.1594 -15.8962 TIMING: 838600 CPU: 2613.62, 0.00312055/step Wall: 2613.62, 0.00312055/step, 3.60718 hours remaining, 234.050781 MB of memory in use. ENERGY: 838600 3925.9744 20649.1737 14446.8997 242.9915 -202968.4369 2785.2384 0.0000 0.0000 52444.7741 -108473.3851 301.4008 -160918.1592 -108101.9359 299.9732 148.5041 169.1856 764813.8701 -2.9775 -2.9609 PRESSURE: 838800 -137.803 -57.9518 -119.968 -57.9516 -525.97 -21.7034 -119.968 -21.7027 -271.86 GPRESSURE: 838800 -129.69 -31.9854 -155.91 -31.1292 -436.484 31.9795 -105.132 34.8588 -291.806 PRESSAVG: 838800 -68.4593 -46.6491 -37.4813 -46.649 54.694 70.7897 -37.4812 70.7897 4.32004 GPRESSAVG: 838800 -68.4162 -45.5116 -37.9669 -46.9024 54.5795 68.0366 -38.6067 73.0105 4.19219 TIMING: 838800 CPU: 2614.24, 0.00310104/step Wall: 2614.24, 0.00310104/step, 3.58446 hours remaining, 234.050781 MB of memory in use. ENERGY: 838800 4013.9194 20660.3766 14478.2454 239.9919 -202703.8295 2573.5134 0.0000 0.0000 52207.2301 -108530.5527 300.0357 -160737.7827 -108171.4347 300.3535 -311.8775 -285.9934 764262.5026 -3.1484 -3.2149 PRESSURE: 839000 -262.5 -105.476 -22.0806 -105.476 77.4192 -49.1742 -22.0799 -49.1737 107.978 GPRESSURE: 839000 -249.721 -119.324 14.6146 -85.9273 223.152 -97.1441 -44.6519 137.504 44.374 PRESSAVG: 839000 -51.5631 -38.9706 -0.272562 -38.9706 48.6499 4.39595 -0.272589 4.39599 0.573904 GPRESSAVG: 839000 -51.7073 -39.0291 -1.27961 -40.847 48.73 5.2315 2.11386 6.71668 0.517876 TIMING: 839000 CPU: 2614.86, 0.00310351/step Wall: 2614.86, 0.00310351/step, 3.58714 hours remaining, 234.050781 MB of memory in use. ENERGY: 839000 4046.2836 20525.7670 14522.0108 253.6521 -203406.5447 2962.9346 0.0000 0.0000 52354.2239 -108741.6727 300.8804 -161095.8967 -108378.2543 300.0356 -25.7010 5.9349 763313.2376 -0.7798 -0.8198 PRESSURE: 839200 62.5988 115.55 -130.229 115.549 106.18 176.92 -130.229 176.919 -64.5159 GPRESSURE: 839200 110.127 -59.5837 -179.785 69.7543 97.2559 136.176 -169.697 179.456 -25.5855 PRESSAVG: 839200 -24.6795 -15.7185 -11.1782 -15.7184 2.97819 13.5898 -11.1782 13.5897 -21.4671 GPRESSAVG: 839200 -24.9429 -19.3549 -12.1775 -13.9107 3.07617 13.3846 -10.8565 9.05269 -21.5028 TIMING: 839200 CPU: 2615.49, 0.00310407/step Wall: 2615.49, 0.00310407/step, 3.58762 hours remaining, 234.050781 MB of memory in use. ENERGY: 839200 3988.7015 20533.2306 14497.6339 254.5975 -203150.6622 2764.5372 0.0000 0.0000 52413.7759 -108698.1855 301.2227 -161111.9614 -108337.6289 300.4722 34.7542 60.5990 761869.3012 -14.3895 -14.4565 PRESSURE: 839400 -72.6657 -66.3318 -200.61 -66.3316 -15.4241 71.4459 -200.609 71.4463 -332.592 GPRESSURE: 839400 -19.8294 -47.0811 -268.383 76.4526 -10.6303 78.5826 -252.523 135.683 -310.878 PRESSAVG: 839400 48.5214 -57.0538 3.91822 -57.0538 -19.2886 6.29637 3.91827 6.29643 -4.19631 GPRESSAVG: 839400 47.9191 -55.0938 3.1428 -57.5429 -19.5468 6.56726 2.85399 7.14532 -3.09665 TIMING: 839400 CPU: 2616.11, 0.00311405/step Wall: 2616.11, 0.00311405/step, 3.59897 hours remaining, 234.050781 MB of memory in use. ENERGY: 839400 4044.6568 20468.0215 14535.2298 237.7439 -202676.5602 2713.1582 0.0000 0.0000 52222.8993 -108454.8506 300.1257 -160677.7499 -108085.9630 300.2616 -140.2273 -113.7793 764708.8947 8.3455 8.4252 PRESSURE: 839600 309.787 -13.9985 153.548 -13.9992 203.172 -148.339 153.549 -148.339 24.347 GPRESSURE: 839600 376.429 -43.1714 178.714 128.589 207.106 -216.32 96.4751 -91.9195 65.3501 PRESSAVG: 839600 66.1735 -22.3424 -0.0210903 -22.3425 -70.4498 40.5117 -0.0210211 40.5117 5.1551 GPRESSAVG: 839600 66.3306 -20.6584 0.676391 -22.3392 -70.6038 42.0086 -0.136679 39.7742 5.32932 TIMING: 839600 CPU: 2616.73, 0.00310489/step Wall: 2616.73, 0.00310489/step, 3.58822 hours remaining, 234.050781 MB of memory in use. ENERGY: 839600 4014.8288 20553.6047 14521.4231 253.7090 -203121.4710 3060.6790 0.0000 0.0000 52161.4985 -108555.7278 299.7728 -160717.2263 -108186.4853 300.0086 179.1022 216.2949 764249.3759 0.2929 0.3520 PRESSURE: 839800 -65.3255 -63.1477 21.2058 -63.1484 -493.807 -125.695 21.2058 -125.697 20.0662 GPRESSURE: 839800 -16.0596 -173.103 24.0072 -180.267 -438.792 -72.2703 81.5022 -100.336 7.06932 PRESSAVG: 839800 56.8686 -31.7042 68.3735 -31.7043 -23.2717 -4.32 68.3734 -4.31997 -35.5766 GPRESSAVG: 839800 56.7628 -35.0605 69.984 -31.3075 -23.4557 -5.06805 67.622 -1.07436 -35.3754 TIMING: 839800 CPU: 2617.36, 0.00315129/step Wall: 2617.36, 0.00315129/step, 3.64167 hours remaining, 234.050781 MB of memory in use. ENERGY: 839800 3973.6760 20747.8677 14598.2296 234.3232 -202806.4217 2748.6455 0.0000 0.0000 52096.9917 -108406.6880 299.4021 -160503.6797 -108041.7230 300.2268 -179.6888 -149.2608 764772.1840 -0.6599 -0.6894 PRESSURE: 840000 22.1214 -93.5088 69.2983 -93.5078 -289.544 50.063 69.2986 50.0638 212.834 GPRESSURE: 840000 75.8269 -113.545 10.996 -13.7399 -236.447 90.2956 23.308 23.1801 182.837 PRESSAVG: 840000 -1.74854 14.5826 13.1269 14.5826 -5.15453 23.3324 13.1268 23.3324 -10.9237 GPRESSAVG: 840000 -0.894436 17.5138 11.8805 14.6293 -5.58552 23.4116 13.7295 22.0298 -11.1162 TIMING: 840000 CPU: 2617.98, 0.00311096/step Wall: 2617.98, 0.00311096/step, 3.59489 hours remaining, 234.050781 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: 840000 4037.7082 20611.1985 14550.2264 253.6153 -203055.2406 2778.3758 0.0000 0.0000 52181.5950 -108642.5214 299.8883 -160824.1164 -108281.7190 300.0179 -18.1959 7.4057 764888.0552 -5.9423 -5.8654 PRESSURE: 840200 118.451 89.9925 -26.2336 89.9938 188.668 103.975 -26.234 103.976 53.8143 GPRESSURE: 840200 131.566 104.236 -81.054 116.973 209.369 113.771 -22.2534 127.82 105.309 PRESSAVG: 840200 22.4761 -33.6804 30.2341 -33.6804 -45.1349 4.17362 30.2341 4.1736 30.4191 GPRESSAVG: 840200 23.1097 -33.7875 31.0565 -34.1085 -45.1387 2.08244 30.0546 5.04208 30.0538 TIMING: 840200 CPU: 2618.61, 0.00313399/step Wall: 2618.61, 0.00313399/step, 3.62133 hours remaining, 234.050781 MB of memory in use. ENERGY: 840200 3869.4840 20657.2386 14444.8573 256.4092 -202799.8373 2877.2084 0.0000 0.0000 52253.5814 -108441.0583 300.3021 -160694.6397 -108075.5705 300.1560 120.3112 148.7480 764303.4115 2.5868 2.6749 LDB: ============= START OF LOAD BALANCING ============== 2631.09 LDB: ============== END OF LOAD BALANCING =============== 2631.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2631.09 LDB: ============= START OF LOAD BALANCING ============== 2631.41 LDB: Largest compute 6972 load 0.031075 is 15.9% of average load 0.194966 LDB: Average compute 0.004395 is 2.3% of average load 0.194966 LDB: TIME 2631.41 LOAD: AVG 0.194966 MAX 0.214331 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.309 MB LDB: TIME 2631.41 LOAD: AVG 0.194966 MAX 0.214331 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.309 MB LDB: TIME 2631.41 LOAD: AVG 0.194966 MAX 0.214331 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.309 MB LDB: ============== END OF LOAD BALANCING =============== 2631.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2631.42 PRESSURE: 840400 -116.727 4.07327 -67.4438 4.07349 164.433 129.918 -67.4432 129.917 202.813 GPRESSURE: 840400 -68.8473 -37.5732 -125.698 -69.8441 157.926 129.521 -140.73 -26.8839 258.81 PRESSAVG: 840400 6.68612 -7.70427 -49.9666 -7.70428 1.21678 3.44786 -49.9666 3.44789 -12.7877 GPRESSAVG: 840400 6.72645 -7.50054 -50.9071 -8.66225 1.85084 4.02058 -50.3903 1.06874 -13.5379 TIMING: 840400 CPU: 2619.25, 0.00320909/step Wall: 2619.25, 0.00320909/step, 3.70792 hours remaining, 235.652344 MB of memory in use. ENERGY: 840400 4027.4961 20471.4419 14617.2730 258.4788 -203415.7874 3164.2576 0.0000 0.0000 52165.4169 -108711.4232 299.7954 -160876.8401 -108334.2389 300.1015 83.5060 115.9629 764771.6558 -1.6283 -1.6535 PRESSURE: 840600 -157.614 288.585 -63.5072 288.584 -154.341 -50.8365 -63.5069 -50.837 -311.939 GPRESSURE: 840600 -27.9956 192.987 -80.857 217.811 -103.995 7.10008 23.8636 -17.4364 -415.881 PRESSAVG: 840600 -49.6801 37.6411 -33.1798 37.6411 84.7402 -53.7089 -33.1797 -53.7088 -1.07943 GPRESSAVG: 840600 -50.672 35.7117 -33.5915 38.8977 84.9788 -53.1621 -31.8643 -51.6705 -0.517792 TIMING: 840600 CPU: 2619.87, 0.00312053/step Wall: 2619.87, 0.00312053/step, 3.60542 hours remaining, 235.652344 MB of memory in use. ENERGY: 840600 4074.5513 20448.5772 14602.2373 242.3165 -203181.4331 2969.1434 0.0000 0.0000 52145.8778 -108698.7295 299.6831 -160844.6073 -108335.7922 299.9264 -207.9647 -182.6239 765869.2924 11.3269 11.2630 PRESSURE: 840800 -194.844 -143.53 -174.467 -143.529 162.187 -121.862 -174.466 -121.862 23.632 GPRESSURE: 840800 -228.465 18.2583 -190.129 -85.2606 225.512 -150.39 -65.0898 -145.037 53.9783 PRESSAVG: 840800 -79.6082 -52.7833 10.2784 -52.7833 -7.50261 -40.6654 10.2784 -40.6654 -37.2191 GPRESSAVG: 840800 -78.1842 -50.7159 10.872 -53.2287 -8.22357 -40.8453 9.86331 -41.3825 -38.27 TIMING: 840800 CPU: 2620.5, 0.00312485/step Wall: 2620.5, 0.00312485/step, 3.61024 hours remaining, 235.652344 MB of memory in use. ENERGY: 840800 4045.2721 20667.0274 14499.0931 251.2564 -202920.3646 2786.4961 0.0000 0.0000 52067.2574 -108603.9621 299.2312 -160671.2195 -108250.3219 299.5868 -3.0082 17.0086 764456.8978 -41.4433 -41.5593 PRESSURE: 841000 237.787 -45.2407 125.862 -45.2407 -51.1026 77.6415 125.862 77.6411 535.669 GPRESSURE: 841000 308.747 -29.1833 207.874 6.52588 -28.2735 3.54167 33.3213 101.983 536.714 PRESSAVG: 841000 2.40509 35.348 49.8259 35.348 46.7057 -42.0002 49.8259 -42.0002 -9.20955 GPRESSAVG: 841000 0.453358 35.9017 51.5167 35.6796 46.9196 -42.026 48.0176 -42.083 -6.72722 TIMING: 841000 CPU: 2621.12, 0.00311783/step Wall: 2621.12, 0.00311783/step, 3.60196 hours remaining, 235.652344 MB of memory in use. ENERGY: 841000 4055.5185 20396.7396 14521.6755 222.7082 -202856.5746 3053.2973 0.0000 0.0000 52240.3303 -108366.3051 300.2259 -160606.6354 -108010.1476 300.4136 240.7844 272.3957 766173.8797 13.3004 13.5486 PRESSURE: 841200 -15.8681 -14.8653 -151.303 -14.8654 -211.596 -168.371 -151.303 -168.371 -494.715 GPRESSURE: 841200 -42.2402 -19.8616 -229.064 -84.3335 -179.734 -31.4206 -155.788 -106.594 -408.515 PRESSAVG: 841200 17.2663 36.1311 1.84541 36.1311 10.5775 -52.8253 1.84545 -52.8253 -10.0354 GPRESSAVG: 841200 18.0735 33.9497 0.83695 37.9556 10.9331 -53.0227 3.42384 -53.0517 -11.1404 TIMING: 841200 CPU: 2621.75, 0.00313121/step Wall: 2621.75, 0.00313121/step, 3.61725 hours remaining, 235.652344 MB of memory in use. ENERGY: 841200 4059.6006 20694.2872 14540.0654 263.0471 -202792.1428 2732.1635 0.0000 0.0000 52181.0540 -108321.9251 299.8852 -160502.9790 -107953.0744 300.1423 -240.7262 -210.1632 764368.6622 5.9361 5.9554 PRESSURE: 841400 -358.912 -74.9883 -34.823 -74.9881 -503.496 297.853 -34.8228 297.853 -330.251 GPRESSURE: 841400 -380.023 64.859 -39.1025 -87.086 -432.952 383.544 -87.4749 125.385 -305.027 PRESSAVG: 841400 14.4894 3.90939 5.41296 3.90941 -19.4056 4.85307 5.41294 4.85312 1.25076 GPRESSAVG: 841400 13.2715 4.66645 5.96702 0.959533 -18.7451 4.58258 5.72471 4.09758 1.63978 TIMING: 841400 CPU: 2622.37, 0.00311704/step Wall: 2622.37, 0.00311703/step, 3.60069 hours remaining, 235.652344 MB of memory in use. ENERGY: 841400 4027.2079 20632.9026 14477.0145 271.2134 -202308.9928 2506.0670 0.0000 0.0000 52179.3680 -108215.2195 299.8755 -160394.5876 -107848.6583 300.0508 -397.5530 -372.6675 766626.0593 -1.2218 -1.2779 PRESSURE: 841600 -69.3479 -220.837 -1.74236 -220.837 15.9526 46.7983 -1.74308 46.7983 93.1237 GPRESSURE: 841600 -103.478 -226.832 -38.3648 -134.667 66.4586 40.9771 14.9699 115.68 178.165 PRESSAVG: 841600 -52.4539 0.385529 -46.7331 0.385534 59.9965 -5.02747 -46.7331 -5.02745 32.6367 GPRESSAVG: 841600 -52.4932 0.4205 -48.2662 2.1452 59.092 -5.68121 -46.4035 -4.36985 33.561 TIMING: 841600 CPU: 2623, 0.00312731/step Wall: 2623, 0.00312731/step, 3.61239 hours remaining, 235.652344 MB of memory in use. ENERGY: 841600 4053.9661 20540.5171 14487.0579 253.0551 -203014.8568 3017.3002 0.0000 0.0000 52267.3776 -108395.5828 300.3813 -160662.9604 -108039.9121 300.3531 13.2428 47.0485 766547.7252 13.3931 13.3866 PRESSURE: 841800 128.286 69.0008 -8.12851 69.0019 144.414 211.682 -8.12856 211.682 -72.0912 GPRESSURE: 841800 255.772 107.179 17.1456 82.0805 112.535 140.936 -19.5008 183.6 -78.4241 PRESSAVG: 841800 20.9216 13.2967 15.89 13.2967 23.3261 11.5633 15.8901 11.5633 6.60244 GPRESSAVG: 841800 21.7825 13.2791 15.0944 14.0836 23.9639 11.5369 16.776 14.0315 5.40432 TIMING: 841800 CPU: 2623.62, 0.00311538/step Wall: 2623.62, 0.00311538/step, 3.59844 hours remaining, 235.652344 MB of memory in use. ENERGY: 841800 3986.3541 20437.9302 14531.9823 228.6363 -203016.2896 2932.0179 0.0000 0.0000 52376.8376 -108522.5312 301.0104 -160899.3688 -108147.0895 300.1353 66.8694 96.6275 762817.4471 16.9500 17.0502 PRESSURE: 842000 -130.405 88.0002 8.02988 88.0006 -181.931 294.826 8.02934 294.827 -92.0174 GPRESSURE: 842000 -63.338 47.6558 64.3926 168.387 -70.4924 265.815 -21.1347 91.0139 -201.374 PRESSAVG: 842000 42.4468 52.8256 -19.6164 52.8256 -40.7631 1.01671 -19.6164 1.01669 -18.7424 GPRESSAVG: 842000 42.5778 53.1566 -17.3609 51.389 -41.3796 1.43389 -24.0752 -1.43019 -18.085 TIMING: 842000 CPU: 2624.25, 0.00312092/step Wall: 2624.25, 0.00312092/step, 3.60467 hours remaining, 235.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 842000 4006.8450 20467.3360 14483.9419 246.3860 -202783.2159 2690.4104 0.0000 0.0000 52343.7935 -108544.5031 300.8205 -160888.2965 -108171.6216 299.4532 -134.7846 -111.7347 764912.1702 -5.6862 -5.6289 PRESSURE: 842200 272.833 -91.7062 -44.2184 -91.7073 40.022 -99.8416 -44.2186 -99.8418 -277.863 GPRESSURE: 842200 287.22 -0.798787 -76.4848 -112.633 26.064 -143.475 -159.979 -173.462 -201.389 PRESSAVG: 842200 33.83 31.2719 28.5721 31.2719 -30.9888 11.0549 28.5721 11.055 -12.6231 GPRESSAVG: 842200 33.6482 31.6577 27.2904 30.9399 -30.949 11.9167 32.93 10.902 -12.693 TIMING: 842200 CPU: 2624.87, 0.00312656/step Wall: 2624.87, 0.00312656/step, 3.611 hours remaining, 235.652344 MB of memory in use. ENERGY: 842200 3993.1751 20698.8412 14458.4237 254.2366 -203375.7104 3175.2334 0.0000 0.0000 52190.6502 -108605.1503 299.9404 -160795.8005 -108243.1567 300.0007 11.6642 37.2984 764311.1442 -3.2606 -3.3313 PRESSURE: 842400 -367.641 -145.857 40.9166 -145.857 263.85 -107.658 40.916 -107.658 169.382 GPRESSURE: 842400 -292.395 -135.801 15.0222 -131.668 246.208 -150.815 120.198 -41.3894 184.439 PRESSAVG: 842400 -11.4892 13.8653 16.6638 13.8653 -27.54 23.5436 16.6637 23.5435 0.49282 GPRESSAVG: 842400 -10.8661 14.1628 17.8448 14.4037 -28.4629 22.5521 14.9886 25.958 0.831419 TIMING: 842400 CPU: 2625.5, 0.00312755/step Wall: 2625.5, 0.00312755/step, 3.61198 hours remaining, 235.652344 MB of memory in use. ENERGY: 842400 4000.7179 20397.6279 14556.6509 265.7164 -202982.4190 2876.3473 0.0000 0.0000 52430.0317 -108455.3269 301.3161 -160885.3586 -108087.0288 300.0689 21.8635 46.0842 764928.6242 -12.8454 -12.8325 PRESSURE: 842600 110.663 157.977 58.3121 157.977 101.829 -89.0999 58.3113 -89.0997 19.465 GPRESSURE: 842600 221.172 72.9307 67.7931 247.86 108.498 -100.785 102.914 -69.1396 -32.3213 PRESSAVG: 842600 -33.0333 36.8578 74.2893 36.8578 29.414 31.3335 74.2894 31.3335 -5.73775 GPRESSAVG: 842600 -32.7928 36.6195 74.454 38.5058 29.8547 32.7032 74.1588 29.4529 -6.3526 TIMING: 842600 CPU: 2626.12, 0.00312222/step Wall: 2626.12, 0.00312222/step, 3.60565 hours remaining, 235.652344 MB of memory in use. ENERGY: 842600 3982.6155 20698.7869 14470.1790 246.6001 -202603.9813 2582.8164 0.0000 0.0000 52008.3291 -108614.6542 298.8926 -160622.9834 -108252.8306 299.7366 77.3190 99.1163 764823.0330 -3.1190 -3.0969 PRESSURE: 842800 181.069 136.279 -233.712 136.278 183.678 3.79296 -233.712 3.7939 -65.1368 GPRESSURE: 842800 184.085 128.643 -242.083 101.565 238.482 -21.6886 -234.513 71.4417 -41.2324 PRESSAVG: 842800 -25.2372 -11.6061 -32.4772 -11.6061 47.3223 5.30187 -32.4772 5.3019 20.9291 GPRESSAVG: 842800 -25.8752 -11.8613 -32.9836 -12.4749 47.6575 4.59912 -32.7063 4.66606 21.0724 TIMING: 842800 CPU: 2626.75, 0.00312669/step Wall: 2626.75, 0.00312669/step, 3.61063 hours remaining, 235.652344 MB of memory in use. ENERGY: 842800 3932.8447 20544.6646 14492.8414 252.4093 -203117.9520 2967.8545 0.0000 0.0000 52255.1800 -108672.1575 300.3112 -160927.3375 -108310.6174 299.8418 99.8700 127.1116 762440.4195 14.3381 14.2849 PRESSURE: 843000 -8.31692 148.316 -129.633 148.316 149.355 -3.0072 -129.633 -3.00573 -228.049 GPRESSURE: 843000 66.0347 50.3244 -250.264 112.403 155.279 13.2167 -89.8205 -30.8235 -217.614 PRESSAVG: 843000 -61.6685 -21.4126 20.5532 -21.4126 38.7028 -10.2435 20.5532 -10.2435 -26.5735 GPRESSAVG: 843000 -61.5234 -22.4636 19.6293 -22.3749 37.4857 -11.3302 19.978 -10.2411 -25.5881 TIMING: 843000 CPU: 2627.37, 0.00312268/step Wall: 2627.37, 0.00312268/step, 3.60583 hours remaining, 235.652344 MB of memory in use. ENERGY: 843000 3871.5402 20531.3061 14484.4077 250.6095 -202590.0792 2815.9505 0.0000 0.0000 52025.5400 -108610.7251 298.9915 -160636.2651 -108247.9030 299.4628 -29.0034 1.2333 764566.8551 -16.5131 -16.5420 PRESSURE: 843200 -339.543 162.033 150.902 162.033 100.81 -141.899 150.902 -141.898 27.9461 GPRESSURE: 843200 -238.581 316.791 126.342 101.025 130.056 -54.6077 183.464 -140.41 1.5523 PRESSAVG: 843200 19.2042 59.3746 55.3956 59.3746 13.0565 -34.0489 55.3956 -34.0489 0.0630917 GPRESSAVG: 843200 19.4043 61.0527 56.395 59.0494 14.1801 -33.1621 57.8338 -33.0604 -0.929337 TIMING: 843200 CPU: 2627.99, 0.00311843/step Wall: 2627.99, 0.00311843/step, 3.60074 hours remaining, 235.652344 MB of memory in use. ENERGY: 843200 4022.3576 20454.3622 14479.7032 245.8061 -202820.3484 2918.3819 0.0000 0.0000 52117.4498 -108582.2875 299.5197 -160699.7373 -108206.2531 299.9574 -70.2626 -35.6575 765787.2259 10.7746 10.8850 PRESSURE: 843400 -192.544 43.6763 94.9481 43.6763 -267.466 102.751 94.9484 102.751 100.561 GPRESSURE: 843400 -169.467 -28.2744 149.998 82.7418 -210.695 57.3869 71.482 145.163 111.367 PRESSAVG: 843400 24.8524 12.3906 -14.3033 12.3906 -27.6508 -14.0752 -14.3033 -14.0752 17.025 GPRESSAVG: 843400 24.1503 11.1402 -14.7764 14.2245 -27.2718 -14.4147 -15.6511 -12.0055 17.5735 TIMING: 843400 CPU: 2628.62, 0.00310961/step Wall: 2628.62, 0.00310961/step, 3.59039 hours remaining, 235.652344 MB of memory in use. ENERGY: 843400 4044.5765 20445.8477 14438.5869 256.6061 -203146.4288 2917.2613 0.0000 0.0000 52382.9335 -108660.6168 301.0454 -161043.5503 -108293.2826 300.4043 -119.8165 -89.5983 763417.4080 4.7422 4.8173 PRESSURE: 843600 -88.829 8.80244 -13.3668 8.80283 -115.28 -11.6643 -13.3667 -11.6656 296.317 GPRESSURE: 843600 -51.2996 37.8178 56.3586 115.316 -89.033 -91.7881 69.8903 5.39093 296.302 PRESSAVG: 843600 16.1367 -9.61174 1.7201 -9.6117 -66.0033 9.17987 1.72012 9.17988 -1.42645 GPRESSAVG: 843600 17.0527 -8.47699 1.67025 -10.1236 -66.8326 7.95325 2.87807 5.85269 -1.17865 TIMING: 843600 CPU: 2629.24, 0.00311325/step Wall: 2629.24, 0.00311325/step, 3.59442 hours remaining, 235.652344 MB of memory in use. ENERGY: 843600 4016.7736 20534.8019 14472.6735 234.8327 -203186.8646 2808.1456 0.0000 0.0000 52227.2105 -108892.4268 300.1505 -161119.6373 -108544.2980 300.1747 30.7362 51.9897 763823.4451 -17.0977 -16.9862 PRESSURE: 843800 249.148 -67.4642 -40.3407 -67.4656 -214.409 206.462 -40.3416 206.463 185.573 GPRESSURE: 843800 284.686 -84.6988 72.1307 31.3477 -189.741 171.876 -86.6405 180.301 184.267 PRESSAVG: 843800 28.6201 29.8289 -12.223 29.8289 -9.48165 -3.33523 -12.223 -3.33523 8.28477 GPRESSAVG: 843800 28.5897 27.9734 -12.4392 29.7011 -8.73382 -3.10975 -13.3222 -1.28993 7.84112 TIMING: 843800 CPU: 2629.86, 0.00311741/step Wall: 2629.86, 0.00311741/step, 3.59905 hours remaining, 235.652344 MB of memory in use. ENERGY: 843800 3995.4738 20568.5385 14438.8813 234.4676 -202873.9430 2892.1183 0.0000 0.0000 51867.4374 -108877.0261 298.0829 -160744.4635 -108511.9387 299.7347 73.4373 93.0703 763674.6985 9.1411 9.2323 PRESSURE: 844000 86.3094 -147.58 -35.0519 -147.58 -172.245 28.3595 -35.0521 28.3599 -24.43 GPRESSURE: 844000 -7.55691 -5.79818 -45.0556 -118.863 -25.0698 74.7169 6.29221 -28.4417 9.6882 PRESSAVG: 844000 54.3373 33.1874 9.37469 33.1874 -51.525 -18.1181 9.37468 -18.1181 7.92638 GPRESSAVG: 844000 54.4463 34.8805 7.33687 33.5055 -51.294 -15.5936 10.1705 -19.3652 7.59923 TIMING: 844000 CPU: 2630.49, 0.00313595/step Wall: 2630.49, 0.00313595/step, 3.62028 hours remaining, 235.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 844000 3960.9699 20505.5437 14481.6007 219.9839 -202794.2849 2707.8759 0.0000 0.0000 51990.3603 -108927.9504 298.7893 -160918.3107 -108577.1730 299.3516 -36.7884 -7.6462 763324.8778 3.5796 3.5838 PRESSURE: 844200 66.2222 -48.8634 -12.7446 -48.8626 269.179 -143.207 -12.7446 -143.208 145.09 GPRESSURE: 844200 94.1006 -110.301 30.0942 -110.908 261.232 -92.9441 -58.5391 -157.275 198.805 PRESSAVG: 844200 29.1635 -0.331297 17.3597 -0.331304 -5.04375 -41.2317 17.3598 -41.2317 6.01414 GPRESSAVG: 844200 28.6843 -0.406694 18.8712 -2.62753 -5.39045 -41.0834 18.325 -41.2209 7.07721 TIMING: 844200 CPU: 2631.11, 0.00311099/step Wall: 2631.11, 0.00311099/step, 3.59129 hours remaining, 235.652344 MB of memory in use. ENERGY: 844200 4026.2800 20484.5149 14403.9913 241.7388 -202984.3038 3018.7076 0.0000 0.0000 52153.7862 -108655.2850 299.7285 -160809.0712 -108302.8051 299.1234 160.1637 184.7127 764710.8615 10.0446 10.1237 LDB: ============= START OF LOAD BALANCING ============== 2643.59 LDB: ============== END OF LOAD BALANCING =============== 2643.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2643.59 LDB: ============= START OF LOAD BALANCING ============== 2643.9 LDB: Largest compute 6972 load 0.030765 is 15.8% of average load 0.195020 LDB: Average compute 0.004408 is 2.3% of average load 0.195020 LDB: TIME 2643.91 LOAD: AVG 0.19502 MAX 0.210888 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.109 MB LDB: TIME 2643.91 LOAD: AVG 0.19502 MAX 0.210888 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.113 MB LDB: TIME 2643.91 LOAD: AVG 0.19502 MAX 0.210888 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.113 MB LDB: ============== END OF LOAD BALANCING =============== 2643.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2643.92 PRESSURE: 844400 82.2831 -63.0265 -68.3519 -63.0266 -16.9123 190.144 -68.3513 190.144 28.5196 GPRESSURE: 844400 78.7974 -192.115 -19.369 -132.825 -8.57255 146.277 -101.476 152.192 87.6972 PRESSAVG: 844400 56.6165 -21.7628 -12.108 -21.7628 -59.2575 20.1119 -12.1079 20.1118 -20.3701 GPRESSAVG: 844400 57.4483 -23.4526 -11.4675 -21.0907 -59.9421 18.7274 -15.4551 21.721 -21.024 TIMING: 844400 CPU: 2631.75, 0.00318904/step Wall: 2631.75, 0.00318904/step, 3.68121 hours remaining, 233.742188 MB of memory in use. ENERGY: 844400 3862.0782 20649.4559 14522.0224 250.6910 -203017.7920 2834.2075 0.0000 0.0000 52190.2019 -108709.1351 299.9378 -160899.3371 -108338.1002 299.8653 31.2968 52.6407 763722.2057 -7.6704 -7.8392 PRESSURE: 844600 -273.613 139.297 -106.059 139.296 -404.101 -41.5802 -106.059 -41.5812 -481.097 GPRESSURE: 844600 -337.787 233.85 -12.7908 171.283 -175.284 -106.249 -72.8003 -5.43207 -568.81 PRESSAVG: 844600 31.6954 -32.2884 29.5124 -32.2884 -4.10344 5.40046 29.5123 5.40048 -11.0953 GPRESSAVG: 844600 30.9487 -30.6186 29.5669 -30.0494 -2.57086 4.59033 32.4236 5.25776 -11.6429 TIMING: 844600 CPU: 2632.37, 0.00312225/step Wall: 2632.37, 0.00312225/step, 3.60394 hours remaining, 233.742188 MB of memory in use. ENERGY: 844600 3995.5744 20483.0628 14468.7742 245.8150 -202788.7095 2657.9346 0.0000 0.0000 51913.6061 -109023.9423 298.3482 -160937.5484 -108646.0587 299.5796 -386.2704 -360.6269 764248.1319 5.4989 5.5783 PRESSURE: 844800 58.2529 55.5103 92.4037 55.5107 198.995 134.206 92.4049 134.206 38.2963 GPRESSURE: 844800 166.146 23.1868 43.8138 -70.9286 205.666 130.182 33.3389 212.669 26.9881 PRESSAVG: 844800 2.70415 1.47294 -29.4486 1.47296 -15.0766 11.63 -29.4486 11.63 -4.33564 GPRESSAVG: 844800 2.73139 0.0563749 -30.7385 0.425894 -15.0525 14.2433 -29.2755 8.92045 -4.27636 TIMING: 844800 CPU: 2633, 0.00312003/step Wall: 2633, 0.00312003/step, 3.60121 hours remaining, 233.742188 MB of memory in use. ENERGY: 844800 3977.2330 20530.9115 14455.4578 254.2075 -202904.3415 2642.4994 0.0000 0.0000 51834.4985 -109209.5338 297.8936 -161044.0323 -108849.5983 299.2155 98.5147 132.9336 760994.4766 -5.5694 -5.5325 PRESSURE: 845000 312.132 184.862 -112.77 184.861 301.59 117.786 -112.771 117.786 -14.8552 GPRESSURE: 845000 396.037 130.372 -206.184 154.348 289.686 98.9761 26.972 116.866 13.0184 PRESSAVG: 845000 23.1725 42.4178 -25.3008 42.4178 -10.6165 -7.93426 -25.3008 -7.93417 13.3488 GPRESSAVG: 845000 23.0867 42.641 -23.7927 41.4952 -10.7429 -9.69451 -23.3157 -6.87672 13.6918 TIMING: 845000 CPU: 2633.62, 0.00311651/step Wall: 2633.62, 0.00311651/step, 3.59697 hours remaining, 233.742188 MB of memory in use. ENERGY: 845000 3947.2860 20411.8382 14401.9711 245.5433 -203260.9486 2844.7362 0.0000 0.0000 52255.5671 -109154.0068 300.3135 -161409.5739 -108784.3824 299.2030 199.6222 232.9140 762367.3172 8.6349 8.6785 PRESSURE: 845200 -295.025 27.806 -53.1048 27.8059 -369.394 -201.842 -53.1044 -201.841 114.663 GPRESSURE: 845200 -309.083 21.874 5.58618 8.05431 -265.208 -241.128 -72.4577 -250.353 129.255 PRESSAVG: 845200 24.3726 26.9636 -8.56 26.9635 -19.2025 -49.3745 -8.55999 -49.3745 0.329408 GPRESSAVG: 845200 24.8192 26.5392 -9.02964 27.2541 -19.5876 -50.0107 -11.5128 -48.9717 0.504326 TIMING: 845200 CPU: 2634.24, 0.00311461/step Wall: 2634.24, 0.00311461/step, 3.5946 hours remaining, 233.742188 MB of memory in use. ENERGY: 845200 3988.7235 20646.6844 14412.4344 253.4701 -202902.7552 2517.8941 0.0000 0.0000 51748.2113 -109335.3374 297.3977 -161083.5487 -108982.5412 298.7128 -183.2518 -148.3454 763006.8871 1.8332 1.9120 PRESSURE: 845400 -76.2096 -22.7437 87.4946 -22.7444 80.1357 -242.21 87.4946 -242.211 -779.386 GPRESSURE: 845400 -97.4255 -98.1733 7.28403 -88.2938 129.709 -282.037 159.672 -264.877 -737.691 PRESSAVG: 845400 -14.0974 6.18067 -29.4273 6.18068 -7.00976 -40.6766 -29.4273 -40.6765 1.95809 GPRESSAVG: 845400 -14.5202 6.51945 -28.6989 5.94757 -6.80976 -40.4764 -30.5433 -40.0889 1.37792 TIMING: 845400 CPU: 2634.86, 0.00310451/step Wall: 2634.86, 0.00310451/step, 3.58278 hours remaining, 233.742188 MB of memory in use. ENERGY: 845400 4060.8179 20476.3790 14410.4373 229.9681 -203520.0582 2952.4033 0.0000 0.0000 52387.1381 -109002.9145 301.0696 -161390.0526 -108640.0779 298.8793 -258.4866 -235.1357 763187.9468 -6.3830 -6.6507 PRESSURE: 845600 191.977 -119.158 -145.688 -119.16 -98.6539 -182.819 -145.687 -182.82 46.7273 GPRESSURE: 845600 173.364 -39.9225 -54.3481 -91.6556 -66.9788 -257.126 -175.57 -131.27 145.281 PRESSAVG: 845600 -27.6448 42.1972 -27.4253 42.1972 23.6749 -27.5767 -27.4252 -27.5767 -20.5694 GPRESSAVG: 845600 -29.1746 44.2052 -27.2506 40.369 23.9852 -27.2354 -25.9552 -28.3683 -19.2041 TIMING: 845600 CPU: 2635.49, 0.00310636/step Wall: 2635.49, 0.00310636/step, 3.58474 hours remaining, 233.742188 MB of memory in use. ENERGY: 845600 3987.2524 20399.4989 14385.4170 261.9692 -202963.8310 2751.3276 0.0000 0.0000 52122.9144 -109055.4516 299.5511 -161178.3660 -108696.1971 298.8627 46.6834 83.8887 764570.8559 -8.1798 -8.1312 PRESSURE: 845800 -138.507 11.8577 -54.0083 11.8582 -406.954 -134.907 -54.0073 -134.906 -559.959 GPRESSURE: 845800 -101.26 19.8364 -33.7273 3.76236 -345.406 -260.675 -178.513 0.379452 -586.732 PRESSAVG: 845800 38.2188 47.0284 4.88034 47.0285 -3.09975 9.94453 4.88028 9.94453 13.1021 GPRESSAVG: 845800 39.5745 45.497 5.38312 49.9208 -3.3767 10.2258 5.20759 10.0115 11.3812 TIMING: 845800 CPU: 2636.11, 0.00311561/step Wall: 2636.11, 0.00311562/step, 3.59525 hours remaining, 233.742188 MB of memory in use. ENERGY: 845800 3987.5083 20485.5944 14329.8207 272.6130 -203183.4877 2940.1800 0.0000 0.0000 52107.3740 -109060.3973 299.4618 -161167.7714 -108712.3411 299.0581 -368.4734 -344.4662 763714.5310 16.0737 15.8597 PRESSURE: 846000 158.635 -175.08 -38.1664 -175.079 147.166 -189.408 -38.1658 -189.407 -234.53 GPRESSURE: 846000 253.679 -211.425 -127.739 -100.545 173.176 -214.328 48.241 -133.161 -278.694 PRESSAVG: 846000 19.1832 62.8843 -67.3608 62.8843 5.87607 -35.4573 -67.3607 -35.4572 -21.098 GPRESSAVG: 846000 17.7503 65.9166 -66.8264 61.4942 5.40153 -36.028 -69.9217 -34.0837 -19.0537 TIMING: 846000 CPU: 2636.73, 0.00310977/step Wall: 2636.73, 0.00310977/step, 3.58833 hours remaining, 233.742188 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: 846000 3934.7824 20533.8551 14460.5137 259.5896 -203513.7649 3274.1931 0.0000 0.0000 52082.2109 -108968.6201 299.3172 -161050.8310 -108606.1502 299.1744 23.7568 49.3870 763252.2001 1.3204 1.3660 PRESSURE: 846200 0.0755988 102.249 -94.6588 102.248 -157.578 -64.2422 -94.6584 -64.2434 -30.6644 GPRESSURE: 846200 1.79549 -41.1983 -66.8966 37.4393 -77.4668 -187.323 -118.098 7.01379 -13.296 PRESSAVG: 846200 6.94069 37.2101 -58.9998 37.2101 58.0535 -77.1931 -58.9998 -77.1932 -11.0953 GPRESSAVG: 846200 7.0271 36.3503 -59.5034 36.7804 58.1824 -76.7747 -54.9865 -77.9786 -11.4088 TIMING: 846200 CPU: 2637.35, 0.0031143/step Wall: 2637.35, 0.0031143/step, 3.59338 hours remaining, 233.742188 MB of memory in use. ENERGY: 846200 3985.7404 20422.3156 14442.1155 259.8831 -203068.1272 2994.0561 0.0000 0.0000 52041.6936 -108922.3229 299.0843 -160964.0166 -108564.8398 299.4845 -62.7224 -29.6558 764875.0780 17.9663 17.9336 PRESSURE: 846400 -245.535 -12.4894 54.9931 -12.4894 5.55078 -86.5858 54.9923 -86.5869 -144.905 GPRESSURE: 846400 -233.565 16.868 74.4956 -20.4348 55.2981 -99.02 53.3041 -160.735 -153.444 PRESSAVG: 846400 26.9441 21.0162 -29.0955 21.0162 -54.3454 -29.8933 -29.0955 -29.8934 10.4635 GPRESSAVG: 846400 27.3196 18.5364 -27.1468 22.1942 -53.784 -30.1216 -32.4713 -29.4807 9.72717 TIMING: 846400 CPU: 2637.98, 0.00312423/step Wall: 2637.98, 0.00312423/step, 3.60467 hours remaining, 233.742188 MB of memory in use. ENERGY: 846400 3988.5772 20537.0045 14428.3695 241.5152 -203093.5240 2772.9117 0.0000 0.0000 51996.6948 -109128.4511 298.8257 -161125.1459 -108765.1574 299.4628 -128.2963 -110.5703 764615.9417 -5.6459 -5.5791 PRESSURE: 846600 -188.768 -14.2923 -32.3239 -14.2918 -23.6766 28.9441 -32.3233 28.9439 229.497 GPRESSURE: 846600 -88.0539 66.8434 -42.3785 47.2808 -64.9024 -64.7064 34.4274 104.925 237.305 PRESSAVG: 846600 -21.0917 43.4977 -1.5972 43.4978 -31.4134 -31.6973 -1.59722 -31.6973 -2.68649 GPRESSAVG: 846600 -20.1052 43.4823 -4.85271 42.7771 -31.9433 -31.8283 0.251942 -32.93 -3.57513 TIMING: 846600 CPU: 2638.61, 0.00314457/step Wall: 2638.61, 0.00314457/step, 3.62796 hours remaining, 233.742188 MB of memory in use. ENERGY: 846600 3995.9515 20467.9668 14494.0857 239.9825 -202968.2386 2728.3495 0.0000 0.0000 51754.9293 -109286.9732 297.4363 -161041.9025 -108933.4018 298.6751 5.6842 28.1163 764881.3728 -18.3972 -18.5412 PRESSURE: 846800 43.4474 15.6351 -128.876 15.634 32.9193 -62.9229 -128.876 -62.9232 -276.711 GPRESSURE: 846800 39.3666 21.7533 -26.2468 129.88 18.6173 -10.6107 -345.028 58.3023 -180.45 PRESSAVG: 846800 43.5941 -12.7924 -90.4599 -12.7924 -18.534 -56.732 -90.4598 -56.7319 -3.46338 GPRESSAVG: 846800 42.9902 -12.2889 -90.0158 -10.6913 -17.7854 -55.1306 -89.6044 -55.6538 -3.52134 TIMING: 846800 CPU: 2639.23, 0.00312226/step Wall: 2639.23, 0.00312226/step, 3.60205 hours remaining, 233.742188 MB of memory in use. ENERGY: 846800 3957.1651 20648.8027 14433.5628 241.6939 -202941.4634 2634.5985 0.0000 0.0000 51880.5881 -109145.0523 298.1585 -161025.6405 -108773.7729 298.6828 -66.7813 -40.8222 763759.7687 7.1989 7.2278 PRESSURE: 847000 151.777 27.7249 143.081 27.725 -98.6848 -120.104 143.081 -120.104 270.46 GPRESSURE: 847000 143.002 13.4125 159.742 -84.8013 24.7144 -94.1639 208.43 -15.6233 221.423 PRESSAVG: 847000 9.12469 -17.1223 -20.0723 -17.1223 8.76947 -18.1661 -20.0723 -18.1661 -20.9301 GPRESSAVG: 847000 8.76047 -15.825 -19.356 -18.6764 8.66499 -18.5798 -20.8245 -16.6322 -20.4219 TIMING: 847000 CPU: 2639.86, 0.00312565/step Wall: 2639.86, 0.00312565/step, 3.60578 hours remaining, 233.742188 MB of memory in use. ENERGY: 847000 3979.4985 20463.7044 14362.6539 226.4819 -203300.2560 3132.0915 0.0000 0.0000 52042.9177 -109092.9081 299.0914 -161135.8258 -108737.3428 299.0500 107.8508 129.7131 765331.0711 -1.0120 -0.9988 PRESSURE: 847200 -98.6364 167.732 98.1883 167.733 -186.303 -87.9807 98.189 -87.9813 25.6278 GPRESSURE: 847200 -5.09548 101.497 144.548 113.304 -204.126 -20.2167 81.1137 -242.591 27.7914 PRESSAVG: 847200 -9.50168 -2.38215 -24.156 -2.38218 -28.8775 0.108876 -24.156 0.108887 10.5367 GPRESSAVG: 847200 -7.21496 -2.34967 -24.3784 -2.8973 -30.7566 -1.24471 -23.8688 -1.58777 9.85627 TIMING: 847200 CPU: 2640.48, 0.00311613/step Wall: 2640.48, 0.00311613/step, 3.59463 hours remaining, 233.742188 MB of memory in use. ENERGY: 847200 4032.2730 20430.1636 14460.1347 252.1949 -202868.7600 2677.8477 0.0000 0.0000 51764.4871 -109251.6590 297.4912 -161016.1460 -108894.6322 298.3181 -86.4371 -60.4768 765025.5717 -9.2808 -9.3718 PRESSURE: 847400 -124.716 -40.5477 163.894 -40.5486 -380.117 -40.0541 163.894 -40.0529 -395.179 GPRESSURE: 847400 -228.739 -58.7596 32.0265 -103.959 -331.872 -19.2143 190.636 -82.1658 -268.362 PRESSAVG: 847400 -5.07119 5.74588 34.7676 5.74589 -14.8851 57.3741 34.7676 57.3741 -17.2575 GPRESSAVG: 847400 -6.05561 4.10989 33.1479 7.96932 -14.4567 58.538 34.5266 58.0645 -16.2516 TIMING: 847400 CPU: 2641.11, 0.00313314/step Wall: 2641.11, 0.00313314/step, 3.61408 hours remaining, 233.742188 MB of memory in use. ENERGY: 847400 4046.8925 20356.3207 14442.4412 259.6665 -202982.1630 2802.3663 0.0000 0.0000 51850.8736 -109223.6022 297.9877 -161074.4758 -108866.8448 298.6111 -300.0037 -276.3241 763943.2324 -12.4046 -12.2546 PRESSURE: 847600 -43.4788 18.9277 51.1582 18.928 -374.104 23.1544 51.1587 23.1546 -370.183 GPRESSURE: 847600 -74.4997 57.2133 51.7643 66.6407 -299.208 73.5991 11.162 24.6127 -311.085 PRESSAVG: 847600 -7.59737 8.93149 14.6815 8.93152 1.37984 -12.7984 14.6814 -12.7984 -7.81115 GPRESSAVG: 847600 -7.65284 9.6792 14.9522 8.14948 1.6263 -12.4126 14.3182 -13.4976 -7.70398 TIMING: 847600 CPU: 2641.73, 0.00313238/step Wall: 2641.73, 0.00313238/step, 3.61303 hours remaining, 233.742188 MB of memory in use. ENERGY: 847600 4007.5597 20466.5195 14374.4515 231.7890 -202662.7769 2369.3955 0.0000 0.0000 52034.2735 -109178.7883 299.0417 -161213.0618 -108822.4635 298.9139 -262.5888 -228.2642 762773.3391 -4.6762 -4.5768 PRESSURE: 847800 83.3383 132.316 -197.347 132.315 -162.378 81.8764 -197.347 81.8761 -62.6185 GPRESSURE: 847800 138.697 233.206 -178.478 42.419 -121.522 106.28 -110.379 41.1256 -79.556 PRESSAVG: 847800 -19.1091 25.1571 9.49744 25.157 -10.3345 -0.434833 9.49735 -0.434876 8.59046 GPRESSAVG: 847800 -19.0858 26.5815 11.0845 24.0219 -10.0815 -2.03848 10.4047 -0.821526 8.09355 TIMING: 847800 CPU: 2642.35, 0.00310389/step Wall: 2642.35, 0.00310389/step, 3.57999 hours remaining, 233.742188 MB of memory in use. ENERGY: 847800 3983.0657 20690.1851 14452.9795 255.9633 -203256.9448 2766.5655 0.0000 0.0000 52123.1848 -108985.0009 299.5527 -161108.1857 -108618.2359 299.5388 -47.2195 -20.7938 762839.9116 -6.9510 -7.0246 PRESSURE: 848000 203.631 166.025 -24.1629 166.025 -290.711 193.51 -24.1631 193.51 -99.569 GPRESSURE: 848000 248.038 150.212 65.3763 210.722 -307.007 289.029 -71.8053 219.965 -42.6458 PRESSAVG: 848000 12.6728 20.3206 32.8765 20.3206 -29.5392 48.805 32.8764 48.8051 20.6392 GPRESSAVG: 848000 13.5602 20.2712 32.7691 20.0174 -29.8194 49.2196 33.1752 48.9445 20.9835 TIMING: 848000 CPU: 2642.98, 0.00311215/step Wall: 2642.98, 0.00311215/step, 3.58934 hours remaining, 233.742188 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: 848000 4107.3729 20671.1565 14454.8312 252.8806 -203325.8519 2988.4240 0.0000 0.0000 51993.3031 -108857.8836 298.8062 -160851.1867 -108502.1368 299.0138 -62.2164 -33.8715 763601.2200 1.2576 1.5748 PRESSURE: 848200 -143.137 120.494 280.849 120.494 -12.5897 92.4855 280.847 92.4844 236.761 GPRESSURE: 848200 -73.4463 78.4753 284.073 142.872 -18.2594 35.0443 372.529 51.2892 262.118 PRESSAVG: 848200 7.6302 -10.2706 46.5985 -10.2706 -4.80016 -8.52972 46.5983 -8.52974 5.01698 GPRESSAVG: 848200 6.89007 -10.6253 46.796 -8.49249 -4.63594 -8.4713 48.6092 -7.22821 5.97959 TIMING: 848200 CPU: 2643.6, 0.00310684/step Wall: 2643.6, 0.00310684/step, 3.58305 hours remaining, 233.742188 MB of memory in use. ENERGY: 848200 4010.6666 20505.0630 14484.7580 261.8965 -203121.7442 2816.9934 0.0000 0.0000 52141.5085 -108900.8582 299.6580 -161042.3667 -108534.4090 299.2267 27.0117 56.8041 764528.0900 2.6157 2.7446 LDB: ============= START OF LOAD BALANCING ============== 2656.08 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2656.08 LDB: =============== DONE WITH MIGRATION ================ 2656.08 LDB: ============= START OF LOAD BALANCING ============== 2656.39 LDB: Largest compute 6972 load 0.029622 is 15.2% of average load 0.195034 LDB: Average compute 0.004395 is 2.3% of average load 0.195034 LDB: TIME 2656.4 LOAD: AVG 0.195034 MAX 0.21513 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.023 MB LDB: TIME 2656.4 LOAD: AVG 0.195034 MAX 0.21513 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.117 MB LDB: TIME 2656.4 LOAD: AVG 0.195034 MAX 0.21513 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.117 MB LDB: ============== END OF LOAD BALANCING =============== 2656.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2656.41 PRESSURE: 848400 -114.799 -120.308 109.215 -120.308 -315.438 92.4421 109.216 92.4433 -49.5278 GPRESSURE: 848400 -143.668 -112.228 130.183 -62.5333 -216.099 87.9101 189.669 -57.9018 -52.1411 PRESSAVG: 848400 -32.1678 -19.7166 12.1871 -19.7166 14.343 -20.6646 12.1871 -20.6646 -14.9947 GPRESSAVG: 848400 -32.2966 -18.5743 11.6375 -20.9237 15.2065 -20.4661 9.75828 -20.7816 -15.5674 TIMING: 848400 CPU: 2644.24, 0.00320449/step Wall: 2644.24, 0.00320449/step, 3.69549 hours remaining, 237.390625 MB of memory in use. ENERGY: 848400 3979.1933 20600.8522 14503.3252 236.4838 -202884.0213 2627.5791 0.0000 0.0000 51989.3945 -108947.1933 298.7838 -160936.5877 -108582.9852 299.3128 -159.9213 -137.3026 764901.1235 -10.9398 -10.8858 PRESSURE: 848600 49.0227 -136.272 -102.648 -136.273 279.284 40.6439 -102.648 40.6451 214.516 GPRESSURE: 848600 69.7809 -183.367 -116.154 -21.1085 285.915 73.5878 -13.6925 110.865 262.235 PRESSAVG: 848600 8.27039 -9.65986 -15.7328 -9.65986 -4.15371 18.5443 -15.7327 18.5442 21.2514 GPRESSAVG: 848600 8.00867 -10.8239 -15.7929 -9.86043 -4.36274 16.7317 -14.4034 18.2839 21.5222 TIMING: 848600 CPU: 2644.87, 0.00313191/step Wall: 2644.87, 0.00313191/step, 3.61161 hours remaining, 237.460938 MB of memory in use. ENERGY: 848600 4052.0583 20544.6898 14484.3282 240.5449 -203052.8415 2845.9928 0.0000 0.0000 51867.1171 -109018.1105 298.0810 -160885.2276 -108654.0476 299.3137 180.9409 205.9768 764259.1626 8.4560 8.3894 PRESSURE: 848800 -313.546 -64.984 -48.0374 -64.9837 7.29621 202.682 -48.0376 202.682 -49.8577 GPRESSURE: 848800 -285.195 -17.7783 -80.7686 -141.32 73.7329 219.527 -41.4267 143.111 -25.3867 PRESSAVG: 848800 -20.5156 6.59488 -28.7868 6.59497 20.9615 32.4168 -28.7869 32.4168 11.3341 GPRESSAVG: 848800 -20.7423 7.51653 -27.5655 6.04589 19.8727 33.9668 -31.9775 33.4172 12.1771 TIMING: 848800 CPU: 2645.49, 0.00312075/step Wall: 2645.49, 0.00312075/step, 3.59857 hours remaining, 237.460938 MB of memory in use. ENERGY: 848800 3991.0079 20489.2373 14400.0166 231.2845 -202920.8140 2700.8158 0.0000 0.0000 52203.5745 -108904.8774 300.0147 -161108.4519 -108538.8249 299.2295 -118.7025 -78.9497 765616.8045 3.9267 3.7692 PRESSURE: 849000 -334.74 11.2957 -32.0871 11.2947 -152.792 -48.098 -32.0873 -48.0979 42.8918 GPRESSURE: 849000 -312.607 8.25137 -77.062 106.632 -104.858 -137.448 32.2737 -30.6543 72.9853 PRESSAVG: 849000 -8.65545 37.6531 58.77 37.6531 -12.8039 -15.7869 58.77 -15.7869 0.104994 GPRESSAVG: 849000 -7.53295 36.8937 58.4253 37.6367 -12.7597 -17.0714 59.623 -17.7403 -1.15464 TIMING: 849000 CPU: 2646.11, 0.00311822/step Wall: 2646.11, 0.00311822/step, 3.59549 hours remaining, 237.460938 MB of memory in use. ENERGY: 849000 4101.8795 20325.9283 14407.1252 238.9425 -202902.0256 2788.9538 0.0000 0.0000 52077.3422 -108961.8541 299.2892 -161039.1963 -108601.9832 299.0700 -148.2134 -114.8265 764254.9339 -7.1181 -7.1491 PRESSURE: 849200 461.888 -236.195 234.301 -236.195 -381.587 129.357 234.301 129.358 -74.1391 GPRESSURE: 849200 427 -232.063 172.176 -216.089 -320.651 215.636 266.507 239.298 3.44876 PRESSAVG: 849200 31.9134 29.8417 -8.57557 29.8417 -59.2641 -10.1242 -8.57556 -10.1242 2.13116 GPRESSAVG: 849200 30.5607 28.6422 -7.353 32.2785 -59.0606 -10.4476 -8.69967 -9.17342 2.60435 TIMING: 849200 CPU: 2646.74, 0.00311194/step Wall: 2646.74, 0.00311194/step, 3.58806 hours remaining, 237.460938 MB of memory in use. ENERGY: 849200 4060.2195 20389.5109 14429.8478 262.5783 -203365.8656 2943.6818 0.0000 0.0000 52464.3041 -108815.7231 301.5131 -161280.0272 -108456.1779 299.3107 2.0541 36.5993 763059.5067 -8.4065 -8.6318 PRESSURE: 849400 -227.571 160.26 -298.88 160.26 -445.246 -1.46306 -298.881 -1.46364 -90.1862 GPRESSURE: 849400 -212.591 176.757 -279.616 79.1087 -356.141 -37.9327 -313.919 -69.6636 -109.941 PRESSAVG: 849400 7.43967 -0.300861 52.7094 -0.300772 -6.4812 53.549 52.7095 53.5489 18.9896 GPRESSAVG: 849400 6.89422 1.31865 52.9501 -1.10172 -6.22897 54.7549 51.8171 52.7445 19.3589 TIMING: 849400 CPU: 2647.36, 0.00310786/step Wall: 2647.36, 0.00310786/step, 3.58319 hours remaining, 237.460938 MB of memory in use. ENERGY: 849400 3945.3891 20587.7109 14485.6093 244.9845 -202708.9329 2341.9220 0.0000 0.0000 52141.0094 -108962.3077 299.6551 -161103.3171 -108596.6335 299.7530 -254.3344 -226.2244 763844.0445 6.6493 6.6747 PRESSURE: 849600 -36.8592 133.161 163.994 133.161 -286.412 -325.764 163.993 -325.765 21.528 GPRESSURE: 849600 0.246209 99.5083 167.731 156.831 -282.399 -277.089 156.196 -210.787 65.9915 PRESSAVG: 849600 -9.3247 41.2956 12.7075 41.2956 26.6952 65.8364 12.7075 65.8365 0.477663 GPRESSAVG: 849600 -8.4866 39.3103 10.2349 41.1187 26.4643 64.1502 14.9892 67.0812 -0.866165 TIMING: 849600 CPU: 2647.98, 0.00311119/step Wall: 2647.98, 0.00311119/step, 3.58685 hours remaining, 237.460938 MB of memory in use. ENERGY: 849600 3987.6521 20429.2286 14607.8147 264.4656 -202864.6313 2687.9688 0.0000 0.0000 52146.3480 -108741.1535 299.6858 -160887.5015 -108381.0165 299.5451 -100.5810 -72.0536 762177.4477 5.9494 5.7039 PRESSURE: 849800 191.758 138.735 4.09761 138.736 13.7012 81.2546 4.09758 81.2545 294.949 GPRESSURE: 849800 129.816 170.683 134.164 81.5514 73.4856 32.5591 -13.3718 147.975 380.522 PRESSAVG: 849800 14.2837 4.45989 -13.0352 4.45991 -16.5384 -48.6471 -13.0352 -48.6472 16.128 GPRESSAVG: 849800 13.8079 6.60867 -12.4063 3.69161 -17.2967 -46.319 -12.6758 -50.9326 17.4328 TIMING: 849800 CPU: 2648.6, 0.00310857/step Wall: 2648.6, 0.00310857/step, 3.58366 hours remaining, 237.460938 MB of memory in use. ENERGY: 849800 3962.6264 20563.1392 14430.6900 258.2902 -203041.8183 2970.2772 0.0000 0.0000 52133.2928 -108723.5025 299.6108 -160856.7953 -108361.7273 300.1647 166.8028 194.6079 763517.5473 4.6244 4.6480 PRESSURE: 850000 -112.095 -77.3587 269.427 -77.3585 -38.5543 -43.1307 269.427 -43.1308 -492.35 GPRESSURE: 850000 -169.036 -25.1975 200.197 -158.646 31.4866 -91.2014 108.737 -83.9884 -414.98 PRESSAVG: 850000 -14.2381 -41.2371 0.31307 -41.2371 41.4743 -32.5636 0.313108 -32.5635 30.952 GPRESSAVG: 850000 -14.6384 -42.1262 0.340049 -40.6951 42.0962 -33.7879 -0.146845 -30.9563 30.6892 TIMING: 850000 CPU: 2649.22, 0.00310823/step Wall: 2649.22, 0.00310823/step, 3.5831 hours remaining, 237.460938 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: 850000 4027.7342 20518.5140 14435.8220 226.8373 -203324.7619 2792.6944 0.0000 0.0000 52412.2632 -108910.8968 301.2140 -161323.1600 -108544.1347 299.6663 -214.3330 -184.1765 763704.3344 19.3960 19.3823 PRESSURE: 850200 33.2703 79.8753 -68.866 79.8753 231.139 158.765 -68.8665 158.765 595.541 GPRESSURE: 850200 122.449 52.6838 -76.2974 -63.1859 239.998 162.567 -23.9445 94.7802 581.077 PRESSAVG: 850200 -13.8087 0.641413 0.149186 0.641361 -22.9276 -46.7276 0.149142 -46.7276 -4.87077 GPRESSAVG: 850200 -13.2962 -0.393251 -0.605967 1.00258 -23.3872 -45.6367 0.116997 -47.747 -4.75439 TIMING: 850200 CPU: 2649.85, 0.00311476/step Wall: 2649.85, 0.00311476/step, 3.59045 hours remaining, 237.460938 MB of memory in use. ENERGY: 850200 3857.0578 20629.3053 14441.0399 240.7567 -202966.6493 2708.5674 0.0000 0.0000 52216.6842 -108873.2380 300.0900 -161089.9222 -108511.6673 299.5786 286.6502 314.5082 763620.8186 -13.8690 -13.8126 PRESSURE: 850400 190.612 -143.909 -5.71962 -143.909 42.1633 -349.029 -5.71977 -349.028 206.289 GPRESSURE: 850400 172.153 -139.852 0.348141 -91.3189 146.951 -241.054 150.071 -354.564 199.735 PRESSAVG: 850400 -42.4379 -2.29542 16.307 -2.29539 12.5529 -53.9609 16.307 -53.9609 -19.3487 GPRESSAVG: 850400 -43.3591 0.152112 16.9279 -4.03248 11.6811 -52.6551 17.0642 -54.389 -17.7449 TIMING: 850400 CPU: 2650.47, 0.00311924/step Wall: 2650.47, 0.00311924/step, 3.59544 hours remaining, 237.460938 MB of memory in use. ENERGY: 850400 4008.2880 20534.0371 14494.3581 265.5653 -202954.2471 2789.5931 0.0000 0.0000 52050.5289 -108811.8767 299.1351 -160862.4055 -108445.4618 299.6645 146.3549 172.9464 763150.9701 -16.4112 -16.4743 PRESSURE: 850600 155.588 -165.937 -24.2144 -165.937 -183.593 -69.0613 -24.2143 -69.0609 350.705 GPRESSURE: 850600 158.591 -23.2159 -6.29468 -142.005 -122.515 -89.0443 -52.6638 3.63535 376.757 PRESSAVG: 850600 1.71042 -59.0462 -35.5358 -59.0462 -15.7412 -5.96473 -35.5358 -5.96473 6.53385 GPRESSAVG: 850600 3.28501 -59.0309 -36.5465 -57.9742 -16.2213 -8.14521 -35.0564 -4.32117 5.80411 TIMING: 850600 CPU: 2651.09, 0.00310254/step Wall: 2651.09, 0.00310253/step, 3.57601 hours remaining, 237.460938 MB of memory in use. ENERGY: 850600 3846.6755 20480.6234 14375.0108 221.5850 -202935.9291 2820.1714 0.0000 0.0000 52203.9173 -108987.9457 300.0166 -161191.8630 -108619.3660 299.2300 107.5668 137.6109 763020.0093 -2.4990 -2.3774 PRESSURE: 850800 -57.6235 35.1531 61.3889 35.1528 -244.37 151.364 61.3891 151.363 -489.62 GPRESSURE: 850800 -152.732 39.5831 -7.00588 74.2434 -169.739 -56.4792 161.401 180.708 -387.428 PRESSAVG: 850800 15.9081 -4.56261 -38.1206 -4.56261 -48.9722 28.487 -38.1206 28.487 12.6985 GPRESSAVG: 850800 14.3787 -5.45701 -36.0234 -4.75206 -46.7976 28.588 -39.5552 27.2369 11.8915 TIMING: 850800 CPU: 2651.71, 0.00311425/step Wall: 2651.71, 0.00311425/step, 3.58934 hours remaining, 237.460938 MB of memory in use. ENERGY: 850800 4057.8622 20492.6449 14433.1319 258.4459 -203020.5203 2619.4413 0.0000 0.0000 52151.9626 -109007.0314 299.7180 -161158.9941 -108645.0542 299.4231 -263.8712 -236.6329 763724.1076 -6.7885 -6.8425 PRESSURE: 851000 -47.3336 -232.695 151.845 -232.694 491.709 -94.4849 151.845 -94.486 181.043 GPRESSURE: 851000 -16.7567 -205.054 170.341 -264.44 533.719 -54.0951 110.297 -37.8694 198.612 PRESSAVG: 851000 30.3397 -19.9738 -9.79641 -19.9738 1.22449 -15.9503 -9.79639 -15.9504 -20.6454 GPRESSAVG: 851000 30.6318 -20.7372 -11.5705 -20.2147 -1.62666 -16.3433 -9.09193 -14.5915 -18.4881 TIMING: 851000 CPU: 2652.34, 0.00312569/step Wall: 2652.34, 0.00312569/step, 3.60236 hours remaining, 237.460938 MB of memory in use. ENERGY: 851000 3972.8495 20591.7387 14411.9636 243.1399 -203240.3469 2982.2222 0.0000 0.0000 52116.9709 -108921.4620 299.5169 -161038.4329 -108565.7734 299.9149 208.4726 238.5249 762180.6154 3.6396 3.5057 PRESSURE: 851200 98.8391 67.7832 -177.992 67.7833 196.039 154.204 -177.993 154.204 371.636 GPRESSURE: 851200 83.7004 61.549 -241.46 37.2616 298.937 170.591 -142.663 255.193 361.997 PRESSAVG: 851200 -45.1573 -5.58625 -16.5438 -5.58624 57.6617 9.6342 -16.5438 9.63433 20.0899 GPRESSAVG: 851200 -45.3126 -4.53902 -17.2373 -6.14385 59.0169 11.9885 -16.083 7.17143 18.0736 TIMING: 851200 CPU: 2652.96, 0.00312026/step Wall: 2652.96, 0.00312026/step, 3.59593 hours remaining, 237.460938 MB of memory in use. ENERGY: 851200 3982.5745 20580.3277 14441.1881 231.4537 -203340.9377 3044.6960 0.0000 0.0000 51951.2235 -109109.4741 298.5644 -161060.6976 -108743.7764 299.3236 222.1713 248.2115 762938.8458 10.8648 10.5926 PRESSURE: 851400 127.188 -11.592 -134.765 -11.5921 143.902 72.6643 -134.765 72.6641 -234.111 GPRESSURE: 851400 164.153 33.3262 -54.7583 25.7218 225.666 86.1119 16.9257 52.0231 -250.677 PRESSAVG: 851400 -50.837 -36.8471 0.0533179 -36.8471 21.224 7.67371 0.0533216 7.67371 -23.8288 GPRESSAVG: 851400 -50.2117 -37.0919 0.218205 -34.1353 21.8508 7.51798 -0.877999 8.93923 -24.9585 TIMING: 851400 CPU: 2653.59, 0.00311587/step Wall: 2653.59, 0.00311587/step, 3.5907 hours remaining, 237.460938 MB of memory in use. ENERGY: 851400 4075.4840 20467.5087 14457.9993 254.7870 -203195.7514 2919.3576 0.0000 0.0000 52234.1640 -108786.4507 300.1905 -161020.6147 -108424.1104 299.2965 12.3262 46.3805 762303.6961 -17.8139 -17.7732 PRESSURE: 851600 21.4324 50.9641 -46.8731 50.9634 -207.489 128.447 -46.8726 128.446 -32.4764 GPRESSURE: 851600 26.8015 60.0137 -80.6884 32.049 -115.404 106.795 20.8625 76.1025 -37.6015 PRESSAVG: 851600 4.75404 23.7366 -67.9142 23.7366 23.3353 -35.3698 -67.9141 -35.3698 -6.39148 GPRESSAVG: 851600 5.44679 22.2358 -66.0176 21.7243 21.2458 -35.4854 -67.6134 -33.5716 -4.84618 TIMING: 851600 CPU: 2654.21, 0.00312539/step Wall: 2654.21, 0.00312539/step, 3.60149 hours remaining, 237.460938 MB of memory in use. ENERGY: 851600 4058.5258 20330.1452 14472.7250 225.0626 -203119.1312 2837.6719 0.0000 0.0000 52275.0728 -108919.9280 300.4256 -161195.0008 -108554.3056 299.8096 -72.8444 -42.0681 764340.0815 7.2326 7.2821 PRESSURE: 851800 -193.732 51.2778 88.9812 51.2779 -51.0348 100.148 88.9821 100.149 -430.217 GPRESSURE: 851800 -155.865 -56.2355 35.5869 37.5311 -24.8891 7.26891 36.9027 194.305 -406.042 PRESSAVG: 851800 -25.6697 -67.4986 6.47512 -67.4986 -6.05187 8.68147 6.4751 8.68151 -2.06826 GPRESSAVG: 851800 -25.7603 -68.0304 6.47642 -68.4872 -5.57141 7.66463 4.57296 7.1877 -1.82016 TIMING: 851800 CPU: 2654.83, 0.00310595/step Wall: 2654.83, 0.00310595/step, 3.57892 hours remaining, 237.460938 MB of memory in use. ENERGY: 851800 3953.0190 20381.5478 14412.2356 238.8081 -202615.1412 2582.7596 0.0000 0.0000 52128.9203 -108917.8506 299.5856 -161046.7710 -108548.4107 299.3768 -224.9945 -195.5986 764426.7591 -11.2633 -11.0506 PRESSURE: 852000 -14.3783 -78.5238 -83.6265 -78.5235 91.193 73.7508 -83.6272 73.7517 65.0505 GPRESSURE: 852000 88.9947 -112.795 -48.342 -92.5426 120.103 72.9858 -21.771 122.531 9.43209 PRESSAVG: 852000 -1.8677 -56.2441 -22.7969 -56.2441 17.824 8.26233 -22.7968 8.26239 16.8085 GPRESSAVG: 852000 -2.44121 -55.9213 -22.7878 -54.664 17.5672 10.5073 -22.9573 6.12521 17.5987 TIMING: 852000 CPU: 2655.46, 0.00312696/step Wall: 2655.46, 0.00312696/step, 3.60295 hours remaining, 237.460938 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: 852000 3863.8985 20497.6873 14540.7840 260.4548 -202971.4521 2766.7826 0.0000 0.0000 52197.6917 -108844.1531 299.9809 -161041.8448 -108490.4249 299.4335 47.2884 72.8432 762890.9003 10.9216 10.9082 PRESSURE: 852200 -44.1508 163.323 -5.78879 163.322 -193.693 46.6053 -5.78861 46.6071 -136.524 GPRESSURE: 852200 0.72544 45.891 -7.27992 198.626 -271.453 -21.2601 86.6318 27.7509 -20.0431 PRESSAVG: 852200 17.2345 16.8072 10.5652 16.8072 -49.7896 -3.07711 10.5653 -3.07718 -0.679478 GPRESSAVG: 852200 16.2623 17.392 9.48729 15.2407 -49.6174 -3.96414 12.3219 -2.30814 -0.564201 TIMING: 852200 CPU: 2656.08, 0.00313517/step Wall: 2656.08, 0.00313517/step, 3.61224 hours remaining, 237.460938 MB of memory in use. ENERGY: 852200 4015.5159 20620.7437 14433.6899 274.4991 -203056.8990 2802.0242 0.0000 0.0000 52018.8357 -108891.5907 298.9530 -160910.4263 -108527.2911 299.3299 -124.7893 -96.9236 764920.4855 -11.0782 -11.3064 LDB: ============= START OF LOAD BALANCING ============== 2668.57 LDB: ============== END OF LOAD BALANCING =============== 2668.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2668.57 LDB: ============= START OF LOAD BALANCING ============== 2668.88 LDB: Largest compute 6972 load 0.031674 is 16.2% of average load 0.195001 LDB: Average compute 0.004415 is 2.3% of average load 0.195001 LDB: TIME 2668.89 LOAD: AVG 0.195001 MAX 0.214694 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.043 MB LDB: TIME 2668.89 LOAD: AVG 0.195001 MAX 0.214694 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.043 MB LDB: TIME 2668.89 LOAD: AVG 0.195001 MAX 0.214694 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.043 MB LDB: ============== END OF LOAD BALANCING =============== 2668.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2668.89 PRESSURE: 852400 119.584 -190.505 -19.4068 -190.505 321.127 -160.9 -19.4073 -160.899 367.333 GPRESSURE: 852400 114.121 -212.184 -58.0062 -35.1808 414.273 -141.695 116.337 -196.492 374.822 PRESSAVG: 852400 3.03798 21.6383 25.3708 21.6383 24.3107 3.6933 25.3707 3.69332 4.25294 GPRESSAVG: 852400 2.42925 23.7285 25.0397 24.6146 25.535 4.66867 27.1276 2.71623 3.57508 TIMING: 852400 CPU: 2656.73, 0.00321063/step Wall: 2656.73, 0.00321063/step, 3.699 hours remaining, 234.234375 MB of memory in use. ENERGY: 852400 4026.7895 20455.0219 14532.5248 236.1275 -203423.5554 3196.0833 0.0000 0.0000 52500.1416 -108476.8668 301.7190 -160977.0083 -108117.6455 299.9649 269.3478 301.0724 764344.1717 10.5339 10.5131 PRESSURE: 852600 13.3118 -33.8997 29.9806 -33.9005 -241.151 -103.042 29.981 -103.042 -121.896 GPRESSURE: 852600 58.4617 -127.333 33.6141 -12.0278 -236.509 -124.709 16.6076 -107.162 -83.1116 PRESSAVG: 852600 -8.61768 -18.734 -11.3924 -18.7341 48.5548 -6.62227 -11.3924 -6.62221 -3.01285 GPRESSAVG: 852600 -8.04429 -18.9564 -9.68081 -20.5039 47.8346 -9.38808 -14.1527 -5.76524 -2.88861 TIMING: 852600 CPU: 2657.35, 0.00312101/step Wall: 2657.35, 0.00312101/step, 3.59558 hours remaining, 234.378906 MB of memory in use. ENERGY: 852600 4039.8072 20454.7460 14532.4940 250.8876 -203166.1203 3009.1756 0.0000 0.0000 52259.0790 -108619.9309 300.3336 -160879.0099 -108268.5804 300.5930 -116.5782 -87.0531 763998.3390 12.3081 12.3006 PRESSURE: 852800 -348.27 141.779 -172.615 141.779 -332.526 77.0462 -172.614 77.0455 -20.3634 GPRESSURE: 852800 -372.646 118.771 -148.101 133.918 -286.683 142.84 -129.181 100.918 49.5402 PRESSAVG: 852800 24.728 -31.4834 -31.6102 -31.4834 -27.7601 16.7682 -31.6102 16.7683 3.82633 GPRESSAVG: 852800 23.7622 -33.5971 -32.4448 -31.6813 -28.8302 18.1947 -29.7726 17.5222 5.27245 TIMING: 852800 CPU: 2657.98, 0.00313015/step Wall: 2657.98, 0.00313015/step, 3.60593 hours remaining, 234.378906 MB of memory in use. ENERGY: 852800 4037.2594 20475.4339 14474.3938 232.7001 -202835.7060 2760.4181 0.0000 0.0000 52267.7311 -108587.7696 300.3834 -160855.5007 -108218.3090 300.0251 -233.7200 -203.2627 765708.1995 0.2647 0.0682 PRESSURE: 853000 -1.61959 166.977 183.181 166.977 -407.484 97.5069 183.182 97.5065 336.227 GPRESSURE: 853000 20.0649 215.965 201.266 130.296 -295.452 42.709 118.088 87.9525 296.194 PRESSAVG: 853000 39.069 6.66166 -48.5802 6.66172 -73.1819 -58.0366 -48.5802 -58.0366 2.56362 GPRESSAVG: 853000 39.2669 5.28102 -48.8542 9.0189 -72.2355 -57.2504 -47.7353 -58.5253 1.26789 TIMING: 853000 CPU: 2658.61, 0.00314971/step Wall: 2658.61, 0.00314971/step, 3.6283 hours remaining, 234.378906 MB of memory in use. ENERGY: 853000 4018.5249 20615.3338 14530.4388 251.0303 -202900.0447 2760.0636 0.0000 0.0000 52229.9515 -108494.7018 300.1662 -160724.6533 -108143.8604 300.1530 -24.2922 6.9356 765587.9175 -10.5164 -10.5669 PRESSURE: 853200 -159.965 177.475 -75.573 177.475 395.497 196.982 -75.5738 196.981 479.213 GPRESSURE: 853200 20.2101 155.41 -136.631 20.6095 314.201 98.8191 -69.5281 185.905 459.674 PRESSAVG: 853200 -14.9868 -75.306 6.03853 -75.306 -11.0232 -61.0693 6.03851 -61.0693 5.1699 GPRESSAVG: 853200 -15.2874 -72.3398 6.75881 -77.9237 -11.3116 -63.1012 6.00238 -61.1701 5.76971 TIMING: 853200 CPU: 2659.23, 0.00313534/step Wall: 2659.23, 0.00313534/step, 3.61157 hours remaining, 234.378906 MB of memory in use. ENERGY: 853200 3981.4302 20604.7841 14453.1567 256.2227 -203123.6370 2985.0604 0.0000 0.0000 52568.9405 -108274.0424 302.1144 -160842.9828 -107915.1200 300.5875 238.2485 264.6949 764371.5944 -6.9467 -6.9431 PRESSURE: 853400 -402.275 -89.5922 -339.201 -89.5927 -264.81 -97.8544 -339.199 -97.856 -35.272 GPRESSURE: 853400 -413.314 -215.229 -345.781 -97.0523 -255.547 -98.0203 -99.4633 120.931 32.8488 PRESSAVG: 853400 -17.2618 4.63539 -23.5499 4.63535 -28.1924 1.84064 -23.5499 1.84068 7.67998 GPRESSAVG: 853400 -17.5625 3.08116 -24.3022 7.88841 -27.7895 2.33371 -22.8066 5.30185 7.28391 TIMING: 853400 CPU: 2659.86, 0.00314757/step Wall: 2659.86, 0.00314757/step, 3.62547 hours remaining, 234.378906 MB of memory in use. ENERGY: 853400 3977.8542 20586.4042 14571.7080 256.8236 -202771.2506 2703.1014 0.0000 0.0000 52382.1299 -108293.2293 301.0408 -160675.3592 -107930.2273 301.4702 -234.1190 -212.0039 765870.9351 -12.5914 -12.6894 PRESSURE: 853600 139.73 8.72183 -29.2416 8.72191 -34.6147 -45.6504 -29.2407 -45.6505 42.096 GPRESSURE: 853600 209.299 -76.0145 4.45063 103.695 -68.7941 -0.266609 -37.125 -77.815 104.81 PRESSAVG: 853600 -0.518176 -49.813 -8.23099 -49.813 -24.7025 -9.40058 -8.23095 -9.40052 17.1398 GPRESSAVG: 853600 -0.579311 -49.5009 -7.82386 -52.3809 -25.4607 -11.028 -8.28079 -12.9137 17.2344 TIMING: 853600 CPU: 2660.49, 0.00311995/step Wall: 2660.49, 0.00311995/step, 3.59349 hours remaining, 234.378906 MB of memory in use. ENERGY: 853600 4008.6879 20706.3789 14523.4636 249.8926 -203136.3609 3100.2670 0.0000 0.0000 52371.8588 -108175.8123 300.9818 -160547.6710 -107820.1732 300.6230 49.0706 81.7716 765160.0190 -2.6936 -2.9352 PRESSURE: 853800 168.399 43.2257 162.514 43.2262 -17.2696 147.184 162.514 147.185 107.149 GPRESSURE: 853800 143.991 149.927 108.867 25.2529 -27.6873 86.1137 80.8909 356.028 196.712 PRESSAVG: 853800 3.43983 12.0799 52.0825 12.0799 -12.448 -41.7334 52.0825 -41.7334 -1.34725 GPRESSAVG: 853800 3.83547 14.2713 52.49 11.9589 -12.3946 -39.5273 49.1961 -43.3501 -1.52022 TIMING: 853800 CPU: 2661.11, 0.00310851/step Wall: 2661.11, 0.00310851/step, 3.58014 hours remaining, 234.378906 MB of memory in use. ENERGY: 853800 3972.4028 20553.6030 14531.7920 246.8188 -202705.3299 2758.3159 0.0000 0.0000 52392.4073 -108249.9900 301.0999 -160642.3974 -107889.4024 300.8814 86.0926 104.3385 764298.8570 -3.4518 -3.3598 PRESSURE: 854000 -76.1753 -112.312 105.954 -112.312 182.21 -192.512 105.954 -192.513 50.0594 GPRESSURE: 854000 -37.2438 -72.6879 73.4173 -144.476 205.549 -250.242 99.113 -90.2701 64.141 PRESSAVG: 854000 26.5575 23.7748 -19.3531 23.7747 -20.5552 -8.4391 -19.3531 -8.43911 21.8376 GPRESSAVG: 854000 26.8691 22.7488 -19.6087 25.9011 -20.5235 -8.57399 -17.3948 -7.67592 21.4537 TIMING: 854000 CPU: 2661.73, 0.00311731/step Wall: 2661.73, 0.00311731/step, 3.5901 hours remaining, 234.378906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 854000 3934.6534 20465.4695 14490.6202 235.4990 -202990.2119 2855.1673 0.0000 0.0000 52534.2514 -108474.5511 301.9151 -161008.8025 -108097.8683 301.2890 52.0315 77.4822 763116.4002 9.2800 9.2664 PRESSURE: 854200 -216.896 273.665 -30.3903 273.665 -305.16 201.676 -30.3902 201.677 89.8037 GPRESSURE: 854200 -65.78 161.679 59.5528 168.604 -409.524 72.5068 -26.4644 320.247 99.111 PRESSAVG: 854200 27.8897 29.67 4.82445 29.67 -7.43509 22.4882 4.82445 22.4882 3.07797 GPRESSAVG: 854200 27.6602 29.3492 4.64561 28.3669 -8.02205 21.4958 4.69704 23.2161 3.52764 TIMING: 854200 CPU: 2662.36, 0.00311954/step Wall: 2662.36, 0.00311954/step, 3.59249 hours remaining, 234.378906 MB of memory in use. ENERGY: 854200 4038.5329 20480.9981 14379.3101 239.7505 -202732.8090 2674.2868 0.0000 0.0000 52303.7095 -108616.2211 300.5901 -160919.9306 -108256.9465 300.7103 -144.0839 -125.3976 763551.6830 7.8442 7.7219 PRESSURE: 854400 207.761 -233.083 -56.9233 -233.083 133.274 44.8532 -56.9242 44.8518 146.305 GPRESSURE: 854400 163.709 -129.417 -56.8301 -168.714 152.296 -27.582 -45.5361 107.768 229.409 PRESSAVG: 854400 20.617 0.673685 38.8166 0.673617 -19.2572 -43.5991 38.8165 -43.5991 19.2815 GPRESSAVG: 854400 20.1536 0.516155 39.5648 0.339115 -19.11 -41.6808 37.4263 -43.7047 19.7995 TIMING: 854400 CPU: 2662.99, 0.00314638/step Wall: 2662.99, 0.00314638/step, 3.62323 hours remaining, 234.378906 MB of memory in use. ENERGY: 854400 3979.8555 20648.5802 14430.3368 240.0536 -202812.5262 2723.2856 0.0000 0.0000 52144.8045 -108645.6101 299.6769 -160790.4146 -108276.6988 300.3624 162.4467 181.8046 762289.3975 6.8805 6.9477 PRESSURE: 854600 -309.903 -60.4919 99.3479 -60.4921 -24.5218 -212.074 99.3473 -212.074 -352.076 GPRESSURE: 854600 -229.417 -36.9859 150.286 34.145 12.8328 -205.153 12.6053 -81.6379 -377.768 PRESSAVG: 854600 4.39186 4.90984 67.3322 4.90985 -17.7151 -31.6096 67.3322 -31.6096 1.55614 GPRESSAVG: 854600 3.36699 5.47829 67.8122 6.54206 -16.3795 -32.9855 67.5215 -29.875 1.25447 TIMING: 854600 CPU: 2663.61, 0.00312683/step Wall: 2663.61, 0.00312683/step, 3.60055 hours remaining, 234.378906 MB of memory in use. ENERGY: 854600 3919.2230 20629.8953 14471.9678 258.8491 -202376.8628 2145.8367 0.0000 0.0000 52325.2046 -108625.8862 300.7137 -160951.0908 -108265.5854 300.0654 -228.8338 -198.1174 761274.6688 -3.9224 -3.9193 PRESSURE: 854800 133.508 1.44511 35.7629 1.44608 261.132 -157.48 35.7631 -157.481 243.458 GPRESSURE: 854800 227.087 77.169 105.903 -16.1155 256.744 -169.389 -82.7221 -145.184 233.569 PRESSAVG: 854800 -1.39973 2.06295 3.44819 2.06295 18.6844 9.04949 3.44814 9.04945 10.2015 GPRESSAVG: 854800 0.276288 2.77624 4.07441 -0.0403583 18.6649 8.01364 3.96435 9.7693 9.04624 TIMING: 854800 CPU: 2664.23, 0.0031144/step Wall: 2664.23, 0.00311439/step, 3.58605 hours remaining, 234.378906 MB of memory in use. ENERGY: 854800 3970.1886 20533.0822 14507.2333 263.5072 -203338.2918 3223.9848 0.0000 0.0000 52212.8057 -108627.4899 300.0677 -160840.2956 -108263.6250 300.0999 212.6992 239.1333 761910.6705 9.1621 9.3291 PRESSURE: 855000 82.4617 -43.6328 -15.0317 -43.632 -41.0785 69.4643 -15.0319 69.465 -82.5138 GPRESSURE: 855000 121.937 37.3634 -70.4896 -5.39461 24.4361 11.1628 -85.5419 42.5312 -111.865 PRESSAVG: 855000 -52.4344 -26.7014 -9.30424 -26.7015 60.7288 -43.2129 -9.30419 -43.2129 -10.2967 GPRESSAVG: 855000 -52.2728 -27.5477 -11.4867 -25.7508 60.4297 -42.1712 -9.44532 -44.6198 -10.5279 TIMING: 855000 CPU: 2664.86, 0.00312278/step Wall: 2664.86, 0.00312278/step, 3.59554 hours remaining, 234.378906 MB of memory in use. ENERGY: 855000 3920.8062 20469.9845 14475.4706 260.9263 -202917.7448 2778.2813 0.0000 0.0000 52136.6498 -108875.6260 299.6300 -161012.2758 -108502.4657 300.1963 -13.7102 11.5026 763925.9526 -0.6674 -0.7904 PRESSURE: 855200 -327.503 -132.027 -26.9631 -132.027 -247.778 181.727 -26.9637 181.727 -127.209 GPRESSURE: 855200 -262.835 -147.411 -128.323 -91.4674 -316.539 111.87 15.3593 183.267 -65.6472 PRESSAVG: 855200 29.237 0.756586 27.1036 0.756631 -60.0898 17.8402 27.1036 17.8402 14.3457 GPRESSAVG: 855200 29.0023 -0.209612 26.1409 1.17327 -61.7849 17.4184 29.0354 17.1424 16.2811 TIMING: 855200 CPU: 2665.48, 0.00312566/step Wall: 2665.48, 0.00312566/step, 3.59867 hours remaining, 234.378906 MB of memory in use. ENERGY: 855200 3977.4633 20504.3386 14476.0767 252.9260 -203345.9719 3006.7656 0.0000 0.0000 52182.7690 -108945.6327 299.8951 -161128.4017 -108576.9658 299.6375 -234.1632 -215.0073 765171.1984 -5.5024 -5.5005 PRESSURE: 855400 -7.87227 65.2247 99.2801 65.2246 -16.1011 32.2909 99.2805 32.2905 66.6822 GPRESSURE: 855400 -37.8196 3.41426 167.544 124.697 83.2404 7.66637 12.4238 -38.4824 105.489 PRESSAVG: 855400 -8.201 -23.0748 8.57165 -23.0748 16.7102 -8.99937 8.57157 -8.99944 -4.05806 GPRESSAVG: 855400 -8.82871 -21.8784 11.1473 -23.6295 18.6223 -8.96172 7.48794 -8.36661 -4.90487 TIMING: 855400 CPU: 2666.11, 0.00314896/step Wall: 2666.11, 0.00314896/step, 3.62533 hours remaining, 234.378906 MB of memory in use. ENERGY: 855400 3995.5656 20580.8713 14462.6721 254.7138 -203507.0756 3017.4414 0.0000 0.0000 52081.4654 -109114.3460 299.3129 -161195.8115 -108752.9565 299.3690 14.2363 50.3032 764403.2073 1.4837 1.6296 PRESSURE: 855600 -51.6933 -43.6774 116.848 -43.6777 210.79 -112.459 116.849 -112.458 74.5982 GPRESSURE: 855600 41.6136 57.7229 104.46 -56.6679 165.31 -142.144 98.3165 -156.312 102.025 PRESSAVG: 855600 -57.1388 -5.03851 25.609 -5.03847 75.049 -4.21792 25.609 -4.21783 -22.4259 GPRESSAVG: 855600 -57.4498 -5.09142 25.6821 -6.17093 75.4715 -3.04211 24.9618 -6.16737 -21.7823 TIMING: 855600 CPU: 2666.74, 0.00314918/step Wall: 2666.74, 0.00314918/step, 3.62541 hours remaining, 234.378906 MB of memory in use. ENERGY: 855600 3974.2731 20621.1701 14417.4499 243.0251 -203351.5241 2853.0394 0.0000 0.0000 51765.6391 -109476.9275 297.4978 -161242.5666 -109119.8418 298.5098 77.8982 102.9829 763465.1452 -1.5052 -1.2535 PRESSURE: 855800 90.6718 -45.8343 -44.9778 -45.834 -158.537 109.326 -44.9782 109.324 -196.583 GPRESSURE: 855800 155.947 -102.284 -74.7187 -106.305 -178.908 135.644 -170.823 107.053 -176.455 PRESSAVG: 855800 -22.4468 -20.2382 -27.3493 -20.2381 -20.9376 4.3124 -27.3493 4.31235 25.321 GPRESSAVG: 855800 -21.226 -20.3659 -29.0667 -20.1206 -21.4932 3.75269 -26.6063 4.98454 25.0884 TIMING: 855800 CPU: 2667.37, 0.00312514/step Wall: 2667.37, 0.00312514/step, 3.59755 hours remaining, 234.378906 MB of memory in use. ENERGY: 855800 3885.6577 20599.3150 14477.5319 231.1174 -203269.8434 2660.8804 0.0000 0.0000 51815.2322 -109600.1088 297.7829 -161415.3409 -109235.1753 298.0284 -88.1495 -66.4720 762647.7342 -6.0211 -5.8770 PRESSURE: 856000 202.63 153.143 -19.447 153.143 12.5969 -21.7189 -19.4477 -21.7195 210.737 GPRESSURE: 856000 247.952 170.359 -60.5874 135.841 112.212 39.7027 -34.6837 -87.5863 150.626 PRESSAVG: 856000 25.2079 -73.197 44.8439 -73.197 -18.55 25.1108 44.8438 25.1109 -6.19931 GPRESSAVG: 856000 26.3327 -72.0299 45.3902 -73.9978 -19.5151 25.0435 43.7261 27.2872 -6.42461 TIMING: 856000 CPU: 2667.99, 0.00313175/step Wall: 2667.99, 0.00313175/step, 3.605 hours remaining, 234.378906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 856000 3968.4397 20617.3502 14479.0981 257.3460 -203786.7900 3116.5341 0.0000 0.0000 51837.9714 -109510.0505 297.9135 -161348.0219 -109150.1928 298.1436 141.9881 170.2636 761113.2881 0.1529 0.1310 PRESSURE: 856200 143.604 -110.476 18.3086 -110.476 -300.869 -250.717 18.3077 -250.717 27.5245 GPRESSURE: 856200 146.681 -72.8256 -28.209 -82.7136 -274.042 -210.247 166.709 -130.842 88.2726 PRESSAVG: 856200 55.1202 -36.4182 -32.5812 -36.4182 -55.7691 15.5142 -32.5811 15.5142 -1.17024 GPRESSAVG: 856200 53.357 -37.8014 -33.5774 -35.4186 -55.0812 16.5756 -33.1028 14.4198 -0.238011 TIMING: 856200 CPU: 2668.62, 0.00313195/step Wall: 2668.62, 0.00313195/step, 3.60505 hours remaining, 234.378906 MB of memory in use. ENERGY: 856200 4030.4599 20648.9491 14425.0056 268.2331 -203030.8379 2686.2755 0.0000 0.0000 51713.9066 -109258.0080 297.2005 -160971.9146 -108904.9650 298.4625 -43.2471 -13.0295 764311.9514 -0.6064 -0.6541 LDB: ============= START OF LOAD BALANCING ============== 2681.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2681.1 LDB: =============== DONE WITH MIGRATION ================ 2681.1 LDB: ============= START OF LOAD BALANCING ============== 2681.41 LDB: Largest compute 6972 load 0.033308 is 17.1% of average load 0.194997 LDB: Average compute 0.004405 is 2.3% of average load 0.194997 LDB: TIME 2681.42 LOAD: AVG 0.194997 MAX 0.211932 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.312 MB LDB: TIME 2681.42 LOAD: AVG 0.194997 MAX 0.211932 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.312 MB LDB: TIME 2681.42 LOAD: AVG 0.194997 MAX 0.211932 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.312 MB LDB: ============== END OF LOAD BALANCING =============== 2681.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2681.42 PRESSURE: 856400 70.7081 130.249 -343.409 130.249 -21.4873 6.91146 -343.409 6.91207 -240.438 GPRESSURE: 856400 124.813 106.832 -274.603 31.6246 58.4352 -9.92742 -199.928 -21.2534 -294.268 PRESSAVG: 856400 -43.5808 39.5164 -3.5483 39.5163 12.3088 -8.40915 -3.54834 -8.40914 25.9785 GPRESSAVG: 856400 -42.503 42.1369 -1.26177 40.0553 11.8045 -8.11762 -3.573 -10.099 25.694 TIMING: 856400 CPU: 2669.26, 0.00319064/step Wall: 2669.26, 0.00319064/step, 3.67243 hours remaining, 233.742188 MB of memory in use. ENERGY: 856400 3996.8896 20577.7937 14404.8633 232.5147 -203131.4496 2638.0959 0.0000 0.0000 52103.0190 -109178.2734 299.4368 -161281.2924 -108813.0646 298.5935 -63.7389 -37.0066 764491.1733 -1.7645 -1.6682 PRESSURE: 856600 -52.8708 230.57 -94.1655 230.569 81.8913 -72.4479 -94.1669 -72.4485 -59.0507 GPRESSURE: 856600 -21.6622 69.7908 -42.8617 228.849 135.378 -24.8776 -76.7065 0.295361 -54.3702 PRESSAVG: 856600 13.6795 52.7304 -12.0703 52.7303 -37.3662 -12.0688 -12.0702 -12.0689 -20.6761 GPRESSAVG: 856600 12.4643 51.6854 -12.434 51.8649 -35.4727 -13.6522 -10.4074 -8.80271 -21.3656 TIMING: 856600 CPU: 2669.88, 0.0031238/step Wall: 2669.88, 0.0031238/step, 3.59532 hours remaining, 233.742188 MB of memory in use. ENERGY: 856600 3996.2194 20511.0902 14411.3222 261.9720 -203262.6935 2870.8717 0.0000 0.0000 52131.2788 -109079.9392 299.5992 -161211.2180 -108711.1174 299.1083 -10.0101 19.7819 763737.3512 -14.7876 -14.7913 PRESSURE: 856800 -178.367 -113.467 -57.2856 -113.466 -269.149 217.247 -57.2848 217.248 -156.787 GPRESSURE: 856800 -150.05 -155.128 -125.542 -21.4115 -229.201 157.362 -85.2253 160.926 -145.798 PRESSAVG: 856800 -52.5501 -29.6636 -12.6806 -29.6636 36.0633 55.7259 -12.6806 55.726 3.74941 GPRESSAVG: 856800 -50.9822 -29.0136 -15.2813 -29.677 34.5597 55.9308 -12.8013 55.5094 3.7449 TIMING: 856800 CPU: 2670.51, 0.00311275/step Wall: 2670.51, 0.00311275/step, 3.58243 hours remaining, 233.742188 MB of memory in use. ENERGY: 856800 4019.4248 20606.0661 14504.1242 256.1972 -203254.1304 2983.5301 0.0000 0.0000 52016.7496 -108868.0385 298.9410 -160884.7882 -108505.5628 299.4375 -201.4346 -175.0163 764068.0741 -4.2458 -4.2258 PRESSURE: 857000 -263.855 2.63633 128.523 2.63625 -350.749 144.09 128.523 144.09 0.325513 GPRESSURE: 857000 -191.711 16.4075 104.534 -99.2919 -311.935 141.059 146.29 200.806 -40.3633 PRESSAVG: 857000 -38.3534 -2.86837 6.96038 -2.86834 21.7095 -14.1636 6.96039 -14.1636 2.61298 GPRESSAVG: 857000 -38.7145 -2.80126 8.50682 -4.08167 21.6802 -14.1342 7.51471 -15.291 3.08856 TIMING: 857000 CPU: 2671.13, 0.00310962/step Wall: 2671.13, 0.00310962/step, 3.57866 hours remaining, 233.742188 MB of memory in use. ENERGY: 857000 3938.9560 20595.5678 14527.9254 251.6374 -202598.8534 2489.4672 0.0000 0.0000 51769.7452 -109025.5543 297.5214 -160795.2995 -108652.8716 299.3135 -204.7594 -181.3364 763927.6761 -4.6770 -4.6486 PRESSURE: 857200 -85.528 29.892 -75.5495 29.8932 215.016 -115.811 -75.55 -115.81 226.244 GPRESSURE: 857200 49.0153 9.47427 -48.3779 95.712 137.968 -42.9669 37.1526 -50.8591 241.623 PRESSAVG: 857200 -32.4871 -11.2656 1.81627 -11.2656 -1.9399 -19.0225 1.8162 -19.0226 2.18544 GPRESSAVG: 857200 -32.437 -11.0646 3.68325 -10.1137 -1.15515 -18.6404 0.0462809 -18.7689 1.75222 TIMING: 857200 CPU: 2671.75, 0.00310681/step Wall: 2671.75, 0.00310681/step, 3.57524 hours remaining, 233.742188 MB of memory in use. ENERGY: 857200 3921.6336 20530.5211 14458.8955 224.0639 -203253.1088 2984.1984 0.0000 0.0000 51959.3643 -109174.4321 298.6112 -161133.7964 -108802.5333 298.7175 118.5774 142.8687 763997.8228 -10.7472 -10.6133 PRESSURE: 857400 -120.774 -133.689 91.5884 -133.689 -153.073 81.7597 91.5892 81.7592 -199.375 GPRESSURE: 857400 -111.183 -237.26 90.1411 -156.559 -97.0263 82.0248 -11.1734 -11.0835 -190.651 PRESSAVG: 857400 -6.60545 35.6361 -31.6476 35.636 12.0358 -42.5972 -31.6476 -42.5973 5.89819 GPRESSAVG: 857400 -6.68694 35.2156 -33.1148 35.5861 11.4967 -41.6286 -30.6098 -41.914 6.09449 TIMING: 857400 CPU: 2672.37, 0.00310462/step Wall: 2672.37, 0.00310462/step, 3.57255 hours remaining, 233.742188 MB of memory in use. ENERGY: 857400 3995.7221 20519.8612 14512.2262 244.7415 -203460.8380 2855.9681 0.0000 0.0000 51906.4540 -109425.8649 298.3071 -161332.3189 -109075.9056 298.8919 -157.7404 -132.9534 763552.3525 3.7762 3.6348 PRESSURE: 857600 39.0971 83.4694 -103.639 83.4687 -167.386 109.766 -103.639 109.766 197.373 GPRESSURE: 857600 119.863 172.663 -163.823 31.7882 -172.238 121.237 -89.6667 5.65053 226.268 PRESSAVG: 857600 -23.9871 42.21 -12.2328 42.21 5.33565 -34.4339 -12.2329 -34.4339 7.29701 GPRESSAVG: 857600 -24.4619 41.9283 -12.994 43.6513 5.37303 -35.9243 -13.5631 -35.5668 7.54349 TIMING: 857600 CPU: 2673, 0.00313266/step Wall: 2673, 0.00313266/step, 3.60465 hours remaining, 233.742188 MB of memory in use. ENERGY: 857600 3961.7329 20393.5086 14551.1377 240.2234 -203355.0246 2899.0007 0.0000 0.0000 52014.4640 -109294.9575 298.9278 -161309.4214 -108924.6699 298.7918 23.0279 57.9643 762192.3496 -3.7848 -3.8485 PRESSURE: 857800 5.22542 3.5673 112.805 3.56709 -42.5035 142.317 112.806 142.316 277.915 GPRESSURE: 857800 129.793 40.2797 203.446 -0.585425 -83.1334 146.965 128.199 97.8358 281.105 PRESSAVG: 857800 1.99309 54.2993 -14.6671 54.2994 6.23784 9.81771 -14.667 9.81766 18.6869 GPRESSAVG: 857800 2.63319 53.4043 -12.3904 53.8188 5.76671 11.0085 -14.4379 10.8425 18.1036 TIMING: 857800 CPU: 2673.62, 0.00309902/step Wall: 2673.62, 0.00309902/step, 3.56576 hours remaining, 233.742188 MB of memory in use. ENERGY: 857800 3918.2649 20535.4274 14542.4465 238.2581 -203499.5355 2854.9669 0.0000 0.0000 51894.0664 -109516.1055 298.2359 -161410.1718 -109154.9000 298.4513 80.2122 109.2550 763031.6707 8.9726 8.8345 PRESSURE: 858000 -222.712 -50.9292 -140.904 -50.9288 -183.296 310.622 -140.904 310.622 -139.823 GPRESSURE: 858000 -293.233 -120.533 -128.285 -6.73391 -69.8345 220.007 -177.987 195.148 -114.392 PRESSAVG: 858000 22.2748 -19.016 20.6032 -19.016 -31.5911 41.0058 20.6032 41.0058 19.5082 GPRESSAVG: 858000 20.472 -18.3534 19.3315 -18.1076 -29.4938 40.1823 20.8468 39.5974 19.7268 TIMING: 858000 CPU: 2674.24, 0.00311118/step Wall: 2674.24, 0.00311118/step, 3.57958 hours remaining, 233.742188 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: 858000 3951.9744 20475.1709 14481.5718 232.3496 -203468.8962 2884.4180 0.0000 0.0000 51908.7207 -109534.6908 298.3201 -161443.4115 -109180.7613 297.9561 -181.9436 -159.1533 764115.2532 3.3973 3.5683 PRESSURE: 858200 150.908 144.389 37.2746 144.39 145.278 -63.208 37.2749 -63.2082 -53.9952 GPRESSURE: 858200 148.174 30.6468 20.7681 124.101 214.249 -106.999 -8.15909 -34.482 -48.1133 PRESSAVG: 858200 5.95682 23.7433 -31.0952 23.7433 -8.44896 27.3679 -31.0952 27.3679 -30.6121 GPRESSAVG: 858200 8.06979 23.4371 -32.0506 24.2247 -10.1523 28.1354 -29.7659 28.5475 -30.6049 TIMING: 858200 CPU: 2674.86, 0.00311283/step Wall: 2674.86, 0.00311283/step, 3.58132 hours remaining, 233.742188 MB of memory in use. ENERGY: 858200 3938.8765 20363.0189 14470.6835 227.5278 -204096.1700 3351.3146 0.0000 0.0000 52157.6252 -109587.1235 299.7506 -161744.7487 -109225.5947 297.8373 80.7301 104.7697 764148.6644 -11.0348 -10.8958 PRESSURE: 858400 39.5681 -106.097 -243.356 -106.098 -156.927 -117.464 -243.355 -117.463 -185.248 GPRESSURE: 858400 24.2654 0.394409 -263.339 -86.3536 -98.3632 -131.732 -340.271 -46.3913 -158.844 PRESSAVG: 858400 -7.38826 -16.4937 9.24891 -16.4937 14.3272 10.6102 9.24892 10.6102 -6.56247 GPRESSAVG: 858400 -7.22519 -16.1353 9.32271 -19.5749 14.3295 10.5699 8.75194 7.61051 -6.72797 TIMING: 858400 CPU: 2675.49, 0.00312886/step Wall: 2675.49, 0.00312886/step, 3.59958 hours remaining, 233.742188 MB of memory in use. ENERGY: 858400 3965.2347 20483.8122 14496.6668 248.0070 -203820.3197 3033.7639 0.0000 0.0000 52178.5401 -109414.2951 299.8708 -161592.8352 -109043.1716 298.4091 -100.8690 -77.6471 764033.6166 0.1255 0.1254 PRESSURE: 858600 210.56 -95.5051 171.312 -95.505 129.655 -227.517 171.313 -227.518 -159.632 GPRESSURE: 858600 193.472 -67.6442 209.066 -135.908 163.084 -262.144 60.1083 -67.6931 -91.761 PRESSAVG: 858600 1.98449 13.8393 -62.1124 13.8393 -8.86172 22.4057 -62.1124 22.4058 2.49092 GPRESSAVG: 858600 2.15095 15.1131 -59.9277 13.0695 -10.5733 20.5399 -62.405 25.9396 3.43242 TIMING: 858600 CPU: 2676.11, 0.00313162/step Wall: 2676.11, 0.00313162/step, 3.60258 hours remaining, 233.742188 MB of memory in use. ENERGY: 858600 3926.8496 20613.3866 14435.7574 248.9393 -203674.6738 3127.1068 0.0000 0.0000 51913.5288 -109409.1053 298.3478 -161322.6341 -109039.0170 298.8074 60.1944 88.2649 764503.1371 -1.4621 -1.6633 PRESSURE: 858800 299.712 -3.07816 175.992 -3.07841 -24.2645 227.175 175.993 227.175 500.408 GPRESSURE: 858800 311.499 153.43 98.8596 -45.9642 105.829 235.859 52.8692 244.852 453.842 PRESSAVG: 858800 59.1516 35.8039 50.5247 35.8039 0.274664 -9.77369 50.5247 -9.77363 17.9799 GPRESSAVG: 858800 58.6007 34.3176 51.4061 38.3578 1.56471 -8.31794 48.5333 -11.689 17.7582 TIMING: 858800 CPU: 2676.74, 0.00311228/step Wall: 2676.74, 0.00311229/step, 3.58017 hours remaining, 233.742188 MB of memory in use. ENERGY: 858800 3895.4326 20560.6422 14422.2972 239.4995 -203835.4382 3158.9351 0.0000 0.0000 52067.7408 -109490.8908 299.2340 -161558.6316 -109129.8569 298.7288 258.6184 290.3901 761720.9542 25.8021 25.9745 PRESSURE: 859000 37.5173 42.6698 213.03 42.6702 158.787 111.814 213.03 111.814 -208.604 GPRESSURE: 859000 53.2349 96.7022 149.951 97.5044 144.535 69.5571 222.392 95.2261 -151.741 PRESSAVG: 859000 -13.7061 57.3557 36.4503 57.3557 43.447 50.576 36.4503 50.576 -19.0981 GPRESSAVG: 859000 -14.8268 56.3317 34.118 57.9528 43.4645 50.2361 39.5911 52.1184 -18.0632 TIMING: 859000 CPU: 2677.36, 0.00312899/step Wall: 2677.36, 0.00312899/step, 3.5992 hours remaining, 233.742188 MB of memory in use. ENERGY: 859000 3952.7346 20405.0159 14467.3574 243.1444 -203229.1984 2828.3161 0.0000 0.0000 51890.6878 -109441.9423 298.2165 -161332.6301 -109072.4540 298.2052 -4.0998 15.3430 763330.6225 3.5476 3.5248 PRESSURE: 859200 -17.2798 20.2184 127.295 20.2183 96.7356 -43.8309 127.295 -43.8311 -3.16096 GPRESSURE: 859200 12.8456 2.9712 145.133 117.041 72.9916 -5.51228 52.7357 -50.496 49.0982 PRESSAVG: 859200 -28.7684 23.423 22.5001 23.423 32.4952 15.4796 22.5 15.4797 -20.7438 GPRESSAVG: 859200 -27.7601 26.5302 23.0997 21.2327 32.4096 16.5571 22.5132 13.3586 -21.9992 TIMING: 859200 CPU: 2677.98, 0.00310221/step Wall: 2677.98, 0.00310221/step, 3.56823 hours remaining, 233.742188 MB of memory in use. ENERGY: 859200 3981.5484 20678.3166 14434.9281 239.7216 -203881.2005 3072.8415 0.0000 0.0000 51932.0829 -109541.7615 298.4544 -161473.8443 -109183.1872 298.7603 25.4316 44.9785 763230.3053 -5.6723 -5.7832 PRESSURE: 859400 508.56 -145.905 -46.1828 -145.906 -170.517 -92.9261 -46.1831 -92.926 -560.017 GPRESSURE: 859400 456.145 -145.936 -110.682 -226.564 -158.524 -52.4439 -75.3245 18.1573 -445.39 PRESSAVG: 859400 -11.5271 22.3761 -32.0522 22.3762 10.2379 4.19808 -32.0523 4.19821 5.95113 GPRESSAVG: 859400 -12.4494 22.1338 -32.2975 25.1858 9.16814 2.63338 -33.5546 6.07902 7.25028 TIMING: 859400 CPU: 2678.61, 0.00311789/step Wall: 2678.61, 0.0031179/step, 3.5861 hours remaining, 233.742188 MB of memory in use. ENERGY: 859400 3931.8757 20692.5589 14472.7712 249.7245 -203381.1322 2728.2556 0.0000 0.0000 52075.8775 -109230.0687 299.2808 -161305.9462 -108858.4915 298.6220 -73.9916 -49.2564 763633.2302 1.5540 1.3230 PRESSURE: 859600 -126.424 -146.282 -133.909 -146.282 -138.393 -145.175 -133.91 -145.174 -216.349 GPRESSURE: 859600 -63.0508 -83.239 -39.3345 -192.304 -48.0901 -92.7408 -181.162 -17.7321 -292.706 PRESSAVG: 859600 -5.86587 56.7964 -13.3261 56.7964 -18.7546 -12.902 -13.3262 -12.902 2.56908 GPRESSAVG: 859600 -3.61394 56.7541 -14.3611 55.1443 -19.1635 -12.1898 -13.2515 -12.8566 0.949092 TIMING: 859600 CPU: 2679.23, 0.00311145/step Wall: 2679.23, 0.00311145/step, 3.57851 hours remaining, 233.742188 MB of memory in use. ENERGY: 859600 3987.0596 20462.4963 14496.8075 252.9710 -203532.7257 2967.1422 0.0000 0.0000 52139.9704 -109226.2786 299.6491 -161366.2491 -108858.1851 299.0133 -160.3887 -134.6157 763881.8977 -7.3505 -7.2761 PRESSURE: 859800 330.892 -0.414055 -77.6651 -0.414028 -92.2086 32.1787 -77.6645 32.1781 545.703 GPRESSURE: 859800 319.835 -40.9368 -51.0622 -17.9598 -50.5109 168.536 -162.097 -7.1139 593.858 PRESSAVG: 859800 43.7859 14.7367 -24.934 14.7367 -47.6304 60.3001 -24.9341 60.3001 -7.82892 GPRESSAVG: 859800 42.8135 13.9634 -23.2372 14.5313 -46.2388 60.0692 -24.6227 61.7799 -7.63779 TIMING: 859800 CPU: 2679.85, 0.00312229/step Wall: 2679.85, 0.00312229/step, 3.59081 hours remaining, 233.742188 MB of memory in use. ENERGY: 859800 4009.9031 20753.1588 14460.2486 252.2830 -203212.3150 2927.6091 0.0000 0.0000 51762.2714 -109046.8410 297.4785 -160809.1124 -108681.0867 299.1138 261.4621 287.7275 762812.0573 -3.8911 -3.6877 PRESSURE: 860000 10.229 -41.2953 -8.53145 -41.2948 -22.5854 5.59349 -8.53249 5.59303 159.287 GPRESSURE: 860000 -35.3904 -18.3385 22.8991 -107.304 75.9018 -60.1111 72.6409 -1.46603 193.958 PRESSAVG: 860000 17.5923 -12.7126 44.6634 -12.7126 -63.9223 -6.47827 44.6635 -6.47827 37.3099 GPRESSAVG: 860000 18.6389 -13.5528 44.3018 -11.4607 -64.2402 -7.24994 44.3989 -10.2912 36.7103 TIMING: 860000 CPU: 2680.48, 0.00312215/step Wall: 2680.48, 0.00312215/step, 3.59047 hours remaining, 233.742188 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: 860000 4058.5317 20593.4718 14420.8002 239.1645 -203288.2142 3030.2749 0.0000 0.0000 51841.0440 -109104.9270 297.9312 -160945.9711 -108737.1719 299.1525 48.9770 78.1565 763530.5377 -3.0067 -2.9637 PRESSURE: 860200 273.171 51.3655 228.401 51.3657 -6.40658 14.192 228.4 14.1907 -219.189 GPRESSURE: 860200 293.939 64.9597 172.325 55.841 2.26283 14.2977 161.729 92.7178 -173.682 PRESSAVG: 860200 65.9026 -19.4642 10.9754 -19.4642 -42.2696 -0.987647 10.9754 -0.987569 17.5611 GPRESSAVG: 860200 64.5071 -16.2515 11.3366 -21.3255 -41.7369 -0.207684 12.7251 -0.653026 18.039 TIMING: 860200 CPU: 2681.1, 0.00312893/step Wall: 2681.1, 0.00312893/step, 3.5981 hours remaining, 233.742188 MB of memory in use. ENERGY: 860200 4017.0170 20627.9247 14447.8942 257.7455 -203607.5472 3145.7784 0.0000 0.0000 51865.6797 -109245.5078 298.0728 -161111.1875 -108886.1619 298.4457 15.8584 40.8399 764779.3578 13.7314 13.6031 LDB: ============= START OF LOAD BALANCING ============== 2693.58 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2693.58 LDB: =============== DONE WITH MIGRATION ================ 2693.58 LDB: ============= START OF LOAD BALANCING ============== 2693.9 LDB: Largest compute 6985 load 0.029420 is 15.1% of average load 0.195020 LDB: Average compute 0.004394 is 2.3% of average load 0.195020 LDB: TIME 2693.9 LOAD: AVG 0.19502 MAX 0.214595 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.023 MB LDB: TIME 2693.9 LOAD: AVG 0.19502 MAX 0.214595 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.227 MB LDB: TIME 2693.9 LOAD: AVG 0.19502 MAX 0.214595 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.227 MB LDB: ============== END OF LOAD BALANCING =============== 2693.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2693.91 PRESSURE: 860400 185.728 171.345 -121.742 171.345 57.8697 142.426 -121.743 142.426 9.93523 GPRESSURE: 860400 204.316 206.825 -127.542 129.111 74.2813 191.843 2.28962 207.437 41.5917 PRESSAVG: 860400 -8.76303 13.6837 33.472 13.6837 -34.5292 -7.04238 33.472 -7.04239 -6.09132 GPRESSAVG: 860400 -9.92335 10.9645 32.2106 16.6128 -33.238 -5.98299 33.95 -6.36898 -6.22878 TIMING: 860400 CPU: 2681.74, 0.00320391/step Wall: 2681.74, 0.0032039/step, 3.68413 hours remaining, 235.285156 MB of memory in use. ENERGY: 860400 3930.3090 20606.0550 14493.9906 276.5862 -203425.7690 3217.8064 0.0000 0.0000 52046.6053 -108854.4166 299.1126 -160901.0219 -108491.8371 299.0911 84.5109 106.7298 764561.5974 -16.4612 -16.4634 PRESSURE: 860600 -15.1821 -69.4677 -92.2703 -69.4671 176.265 -270.043 -92.2706 -270.043 34.4751 GPRESSURE: 860600 -40.8365 110.433 -12.89 -144.824 209.474 -232.98 -120.406 -246.73 102.24 PRESSAVG: 860600 15.0003 -21.1839 56.0278 -21.1838 -11.6611 -21.9111 56.0278 -21.911 5.10198 GPRESSAVG: 860600 15.9208 -22.108 57.164 -21.9634 -12.3887 -23.4621 53.1499 -21.4622 4.73078 TIMING: 860600 CPU: 2682.37, 0.00313391/step Wall: 2682.37, 0.00313391/step, 3.60347 hours remaining, 235.425781 MB of memory in use. ENERGY: 860600 4039.1222 20694.5250 14490.3154 253.3291 -203668.3497 3175.8213 0.0000 0.0000 52191.4212 -108823.8156 299.9448 -161015.2368 -108453.7530 299.4644 65.1861 90.2925 765491.2638 2.8137 2.7543 PRESSURE: 860800 -149.677 -140.316 151.957 -140.316 -83.3487 79.7551 151.956 79.7551 187.097 GPRESSURE: 860800 -80.802 -202.961 163.464 -156.356 -65.3587 -65.6368 85.5012 133.05 183.015 PRESSAVG: 860800 -15.5719 43.9994 25.888 43.9994 -29.8983 24.9093 25.888 24.9094 -13.1912 GPRESSAVG: 860800 -15.2757 45.7857 26.3183 42.92 -30.695 24.8404 26.8367 25.2648 -11.7433 TIMING: 860800 CPU: 2682.99, 0.00311811/step Wall: 2682.99, 0.00311811/step, 3.58514 hours remaining, 235.425781 MB of memory in use. ENERGY: 860800 3920.4644 20557.2200 14421.2339 244.2592 -203272.9153 2963.5949 0.0000 0.0000 52330.3948 -108835.7481 300.7435 -161166.1429 -108467.3608 299.8455 -15.3095 12.2847 766306.4887 -19.5538 -19.2380 PRESSURE: 861000 77.9508 1.92578 235.793 1.92549 -282.419 -41.2455 235.793 -41.2456 -322.552 GPRESSURE: 861000 139.288 -100.08 270.426 -103.525 -312.793 33.1525 182.515 -53.0046 -261.616 PRESSAVG: 861000 47.9286 -22.5307 50.4826 -22.5306 -60.6217 10.4174 50.4826 10.4173 3.31282 GPRESSAVG: 861000 48.106 -23.5586 49.7377 -23.7305 -60.3298 10.1657 51.2828 10.4418 3.07396 TIMING: 861000 CPU: 2683.62, 0.00314155/step Wall: 2683.62, 0.00314155/step, 3.61191 hours remaining, 235.425781 MB of memory in use. ENERGY: 861000 3999.5798 20631.7108 14487.8660 277.2100 -203268.5997 3067.5544 0.0000 0.0000 51991.4234 -108813.2553 298.7954 -160804.6786 -108438.6701 299.3081 -175.6735 -145.0403 764872.6541 -3.1267 -3.0499 PRESSURE: 861200 284.594 -43.7865 92.9846 -43.7865 202.668 -36.0436 92.9845 -36.0438 212.237 GPRESSURE: 861200 223.346 68.5722 141.264 25.4532 261.833 -50.6448 11.4763 -10.6965 290.064 PRESSAVG: 861200 -15.1943 -39.9246 25.7081 -39.9246 2.9819 -6.8026 25.7081 -6.80267 2.92656 GPRESSAVG: 861200 -15.7412 -39.1034 24.5686 -37.7878 4.66613 -7.45995 25.959 -7.85615 2.54621 TIMING: 861200 CPU: 2684.25, 0.00314984/step Wall: 2684.25, 0.00314984/step, 3.62127 hours remaining, 235.425781 MB of memory in use. ENERGY: 861200 3967.6269 20620.7014 14438.3788 243.9938 -203115.8285 3017.2952 0.0000 0.0000 52095.1276 -108732.7048 299.3914 -160827.8324 -108371.3491 299.6916 233.1663 258.4143 764720.3087 -3.0953 -2.8430 PRESSURE: 861400 93.319 -34.7343 1.6708 -34.7343 338.546 -25.5241 1.67054 -25.5246 -97.9663 GPRESSURE: 861400 117.886 -30.0387 -10.6326 -124.489 331.715 -48.4628 -49.8343 3.59224 -59.2599 PRESSAVG: 861400 -48.4769 3.71861 -30.0919 3.71857 70.7433 -15.8167 -30.0919 -15.8167 23.4966 GPRESSAVG: 861400 -48.0279 1.60502 -30.1622 3.97264 69.824 -13.749 -30.5858 -15.7321 23.5218 TIMING: 861400 CPU: 2684.87, 0.00311116/step Wall: 2684.87, 0.00311116/step, 3.57663 hours remaining, 235.425781 MB of memory in use. ENERGY: 861400 4025.1525 20733.0253 14540.5791 254.8855 -202770.8650 2697.7140 0.0000 0.0000 51703.0145 -108816.4942 297.1379 -160519.5088 -108461.5789 299.3826 111.2995 130.1138 765454.9791 15.2543 15.1060 PRESSURE: 861600 -247.515 -23.568 32.0866 -23.5675 -211.362 93.9463 32.0873 93.9468 -215.849 GPRESSURE: 861600 -118.771 23.2994 114.259 -58.7621 -278.005 -7.59739 44.3066 201.361 -188.958 PRESSAVG: 861600 -22.2298 -14.1905 31.3201 -14.1905 45.8413 -19.9709 31.3201 -19.971 15.9228 GPRESSAVG: 861600 -22.3143 -13.9075 31.0065 -13.6278 45.8037 -19.9607 31.3092 -19.9544 16.4694 TIMING: 861600 CPU: 2685.5, 0.003107/step Wall: 2685.5, 0.003107/step, 3.57167 hours remaining, 235.425781 MB of memory in use. ENERGY: 861600 4063.4805 20509.5074 14410.2054 252.3333 -203274.9928 2896.0918 0.0000 0.0000 52211.3593 -108932.0150 300.0594 -161143.3743 -108575.2838 300.1016 -224.9088 -195.2448 764205.9252 13.1781 13.3196 PRESSURE: 861800 -25.7566 212.834 -231.105 212.834 -401.157 95.9281 -231.106 95.9295 -228.739 GPRESSURE: 861800 41.8886 267.448 -156.486 193.197 -382.464 27.193 -171.519 -14.0388 -214.82 PRESSAVG: 861800 9.9793 -1.14173 0.614772 -1.14172 -59.6263 -29.5061 0.61474 -29.506 -22.0449 GPRESSAVG: 861800 10.1274 1.97915 1.97998 -3.01485 -58.7294 -29.7264 2.25952 -29.3899 -22.825 TIMING: 861800 CPU: 2686.12, 0.00311962/step Wall: 2686.12, 0.00311962/step, 3.58601 hours remaining, 235.425781 MB of memory in use. ENERGY: 861800 3922.8332 20561.4795 14462.0466 241.1279 -203352.2218 2907.5520 0.0000 0.0000 52178.4014 -109078.7812 299.8700 -161257.1826 -108720.4295 299.0836 -218.5507 -185.1318 763812.1173 -23.8973 -23.8090 PRESSURE: 862000 -77.3455 -198.08 -72.5674 -198.079 92.9546 74.8301 -72.567 74.8303 -138.236 GPRESSURE: 862000 54.6936 -227.029 -102.269 -139.58 28.2575 -16.5284 -69.8457 61.724 -124.185 PRESSAVG: 862000 51.4018 40.3178 19.9712 40.3178 -48.8491 18.6609 19.9711 18.6608 29.3936 GPRESSAVG: 862000 52.1063 37.2993 18.3264 41.3137 -50.8811 18.2681 20.2916 19.3061 30.1961 TIMING: 862000 CPU: 2686.75, 0.00314189/step Wall: 2686.75, 0.00314189/step, 3.61143 hours remaining, 235.425781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 862000 3949.3857 20509.5556 14542.9207 238.7841 -203307.3991 2883.0782 0.0000 0.0000 51961.3292 -109222.3455 298.6225 -161183.6748 -108866.8052 298.4323 -40.8755 -13.7446 762947.8216 10.6488 10.4738 PRESSURE: 862200 114.693 230.997 -145.199 230.998 -43.5484 236.319 -145.198 236.319 363.187 GPRESSURE: 862200 259.062 187.849 -229.496 102.033 -67.9065 109.892 -118.274 130.942 313.136 PRESSAVG: 862200 8.74837 -5.96798 -12.4916 -5.96792 -4.24257 -1.4881 -12.4915 -1.4881 24.6003 GPRESSAVG: 862200 9.08308 -3.73963 -10.5862 -5.93657 -4.34603 -2.40654 -14.5501 -2.32108 24.3521 TIMING: 862200 CPU: 2687.37, 0.00312437/step Wall: 2687.37, 0.00312437/step, 3.59112 hours remaining, 235.425781 MB of memory in use. ENERGY: 862200 3908.5151 20557.0924 14478.4090 265.6538 -203427.0181 2830.7047 0.0000 0.0000 52132.8946 -109253.7485 299.6085 -161386.6431 -108890.7828 298.0819 144.7774 168.0973 762302.0912 9.7020 9.6964 PRESSURE: 862400 -203.404 75.3788 171.428 75.3793 -320.797 -177.109 171.428 -177.108 -198.366 GPRESSURE: 862400 -182.527 2.28025 101.462 5.31223 -196.416 -165.361 165.117 -45.9428 -259.544 PRESSAVG: 862400 81.8193 28.9481 8.88178 28.9482 -46.8214 40.248 8.88178 40.248 1.44064 GPRESSAVG: 862400 81.4152 25.9869 8.56515 29.9457 -45.0148 41.4543 9.08487 39.0426 0.513625 TIMING: 862400 CPU: 2688, 0.00311823/step Wall: 2688, 0.00311823/step, 3.58389 hours remaining, 235.425781 MB of memory in use. ENERGY: 862400 3996.1615 20657.9093 14534.2210 239.2419 -203363.3005 2672.2337 0.0000 0.0000 51999.4077 -109264.1253 298.8413 -161263.5330 -108898.6578 298.1680 -240.8560 -212.8287 763631.0717 12.1462 12.3047 PRESSURE: 862600 -136.79 -276.239 173.684 -276.239 174.115 -82.1502 173.684 -82.1498 -3.06656 GPRESSURE: 862600 -82.259 -222.922 122.147 -276.455 101.028 -140.846 142.912 54.6023 113.343 PRESSAVG: 862600 -15.6515 -6.85069 -30.64 -6.85071 8.40521 -9.0132 -30.64 -9.01318 7.30186 GPRESSAVG: 862600 -15.2612 -5.38911 -30.3923 -5.92594 6.68001 -8.87332 -31.9976 -6.13389 9.35583 TIMING: 862600 CPU: 2688.62, 0.0031291/step Wall: 2688.62, 0.0031291/step, 3.5962 hours remaining, 235.425781 MB of memory in use. ENERGY: 862600 3994.3838 20611.9050 14507.5945 247.3213 -203531.0826 3035.6220 0.0000 0.0000 51827.9775 -109306.2784 297.8561 -161134.2559 -108947.4954 298.6538 11.4195 44.0374 762235.1836 0.0185 0.2582 PRESSURE: 862800 156.218 -73.7142 165.177 -73.7147 268.734 79.7387 165.177 79.7396 170.699 GPRESSURE: 862800 145.871 -14.7303 185.629 14.9284 329.906 144.658 167.835 62.4403 212.431 PRESSAVG: 862800 30.9187 -39.0803 -0.465446 -39.0803 -24.5328 20.9714 -0.46541 20.9713 23.746 GPRESSAVG: 862800 30.7788 -37.8438 -1.27979 -39.4155 -22.9355 20.1776 0.737843 21.9794 21.8625 TIMING: 862800 CPU: 2689.25, 0.00314464/step Wall: 2689.25, 0.00314464/step, 3.61389 hours remaining, 235.425781 MB of memory in use. ENERGY: 862800 3925.6060 20325.4662 14492.7226 239.9868 -203484.5685 3130.1850 0.0000 0.0000 51964.3968 -109406.2051 298.6401 -161370.6019 -109028.9645 298.4319 198.5504 229.4027 761627.5503 10.0440 9.9020 PRESSURE: 863000 89.9444 -31.7782 65.9373 -31.7778 -75.322 20.1213 65.9375 20.121 -62.58 GPRESSURE: 863000 149.125 1.65735 6.54591 37.1413 -25.3707 79.0366 47.4567 43.0516 -96.954 PRESSAVG: 863000 31.0986 -27.0624 6.88833 -27.0624 16.7041 -28.0537 6.88833 -28.0537 -17.372 GPRESSAVG: 863000 29.6892 -28.0105 8.36758 -28.7037 17.2486 -25.5384 3.89184 -30.1441 -16.8257 TIMING: 863000 CPU: 2689.88, 0.00313381/step Wall: 2689.88, 0.00313381/step, 3.60127 hours remaining, 235.425781 MB of memory in use. ENERGY: 863000 3995.3507 20555.4296 14446.9182 239.7366 -202997.6231 2645.7998 0.0000 0.0000 51966.5519 -109147.8364 298.6525 -161114.3883 -108791.3679 298.1298 -15.9858 8.9335 763613.6624 10.1436 10.0374 PRESSURE: 863200 -47.4515 -3.94732 99.0713 -3.9482 120.323 251.559 99.0709 251.558 12.6873 GPRESSURE: 863200 -35.8859 70.5202 54.1403 13.087 161.823 214.719 100.894 132.948 42.375 PRESSAVG: 863200 -5.58794 7.34433 5.95263 7.34422 -3.15488 -25.7179 5.95254 -25.7179 6.20596 GPRESSAVG: 863200 -4.81793 7.82492 5.02842 8.22503 -3.77325 -26.3035 9.38341 -26.28 5.73338 TIMING: 863200 CPU: 2690.5, 0.00312863/step Wall: 2690.5, 0.00312863/step, 3.59515 hours remaining, 235.425781 MB of memory in use. ENERGY: 863200 3950.9325 20546.1634 14481.1664 240.1936 -203705.7733 3022.5976 0.0000 0.0000 52037.7158 -109427.0040 299.0615 -161464.7198 -109071.0245 298.7636 28.5196 56.1039 761779.9245 -0.8456 -0.9526 PRESSURE: 863400 201.562 -75.5416 33.2164 -75.5416 88.6383 185.463 33.216 185.462 146.84 GPRESSURE: 863400 206.77 -31.4522 121.442 47.5618 119.861 140.664 123.066 160.918 211.944 PRESSAVG: 863400 -21.1699 24.4531 20.8382 24.453 28.5405 -16.4134 20.8381 -16.4134 11.5436 GPRESSAVG: 863400 -21.836 24.8225 22.292 23.1293 28.8541 -19.4427 19.212 -13.6149 12.0899 TIMING: 863400 CPU: 2691.13, 0.00312244/step Wall: 2691.13, 0.00312244/step, 3.58786 hours remaining, 235.425781 MB of memory in use. ENERGY: 863400 4006.7982 20467.3158 14519.2687 239.6769 -203428.5666 2953.9004 0.0000 0.0000 51958.0225 -109283.5840 298.6035 -161241.6065 -108925.2528 298.1333 145.6800 179.5250 761569.1866 6.3047 6.3693 PRESSURE: 863600 50.3805 -53.6363 -337.697 -53.6363 6.80652 70.9269 -337.697 70.927 -41.9416 GPRESSURE: 863600 96.3645 -110.147 -277.516 -58.433 66.2553 -32.6488 -188.504 121.715 -62.5993 PRESSAVG: 863600 1.93973 1.22536 10.7919 1.22535 -39.7992 23.2767 10.7919 23.2766 8.00873 GPRESSAVG: 863600 2.65098 1.16086 10.2532 2.38232 -39.4533 24.5257 11.5304 23.0662 6.62826 TIMING: 863600 CPU: 2691.75, 0.00311837/step Wall: 2691.75, 0.00311837/step, 3.58301 hours remaining, 235.425781 MB of memory in use. ENERGY: 863600 3981.6252 20506.0255 14521.2199 257.8225 -203146.1468 3027.2159 0.0000 0.0000 51791.9840 -109060.2538 297.6492 -160852.2378 -108701.9375 298.6228 5.0818 33.3402 764124.4769 -9.9502 -10.0580 PRESSURE: 863800 -69.0389 -89.5668 293.861 -89.5679 -217.565 -21.412 293.86 -21.4118 212.054 GPRESSURE: 863800 -20.5975 -56.7699 293.035 34.5444 -198.721 -0.725608 248.532 -122.524 221.621 PRESSAVG: 863800 27.3856 3.43392 -16.8013 3.43388 -2.98154 30.9521 -16.8013 30.9521 11.2495 GPRESSAVG: 863800 28.7095 2.71818 -16.41 2.18284 -3.86256 31.2801 -16.5478 31.4675 11.2089 TIMING: 863800 CPU: 2692.38, 0.00312524/step Wall: 2692.38, 0.00312524/step, 3.59073 hours remaining, 235.425781 MB of memory in use. ENERGY: 863800 3934.4580 20521.4829 14484.5201 240.1209 -202733.1015 2740.5500 0.0000 0.0000 51781.1353 -109030.8343 297.5869 -160811.9696 -108663.7669 299.0099 -24.8498 0.7677 765429.3033 11.8845 12.0186 PRESSURE: 864000 -349.598 -136.92 260.728 -136.92 -20.3187 109.155 260.728 109.155 152.44 GPRESSURE: 864000 -360.623 -84.09 259.183 -208.137 65.4625 72.6765 190.722 321.446 157.727 PRESSAVG: 864000 18.0494 10.9587 -6.74307 10.9587 -21.2861 50.7199 -6.74306 50.7199 20.7495 GPRESSAVG: 864000 17.5382 12.0756 -7.81778 11.4228 -21.6886 49.8908 -9.08473 50.1185 21.3637 TIMING: 864000 CPU: 2693, 0.00311497/step Wall: 2693, 0.00311497/step, 3.57876 hours remaining, 235.425781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 864000 3945.4368 20566.4641 14421.9367 249.4445 -203147.4980 3021.6479 0.0000 0.0000 51841.3827 -109101.1853 297.9331 -160942.5681 -108741.6279 298.3377 -72.4923 -45.8112 764110.5698 5.8376 5.7378 PRESSURE: 864200 54.6088 152.169 -43.4975 152.168 181.9 169.392 -43.4975 169.391 243.283 GPRESSURE: 864200 186.86 205.942 16.2251 108.924 131.869 129.104 -146.468 -7.5554 244.534 PRESSAVG: 864200 7.15157 3.27104 -32.5152 3.27109 -22.0749 -35.3771 -32.5152 -35.3772 3.31565 GPRESSAVG: 864200 5.31252 -0.142356 -32.3441 3.99839 -20.7781 -34.4096 -32.765 -36.7931 3.9087 TIMING: 864200 CPU: 2693.63, 0.00313766/step Wall: 2693.63, 0.00313766/step, 3.60465 hours remaining, 235.425781 MB of memory in use. ENERGY: 864200 3956.7112 20431.5547 14434.1056 264.5004 -203252.1821 2976.0514 0.0000 0.0000 52046.5257 -109142.7332 299.1121 -161189.2589 -108798.7416 298.8216 159.9306 187.7544 763163.1219 -3.8692 -3.8523 LDB: ============= START OF LOAD BALANCING ============== 2706.11 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2706.11 LDB: =============== DONE WITH MIGRATION ================ 2706.11 LDB: ============= START OF LOAD BALANCING ============== 2706.42 LDB: Largest compute 6985 load 0.031194 is 16.0% of average load 0.195268 LDB: Average compute 0.004383 is 2.2% of average load 0.195268 LDB: TIME 2706.43 LOAD: AVG 0.195268 MAX 0.215554 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 2706.43 LOAD: AVG 0.195268 MAX 0.215554 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: TIME 2706.43 LOAD: AVG 0.195268 MAX 0.215554 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: ============== END OF LOAD BALANCING =============== 2706.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2706.43 PRESSURE: 864400 29.0068 -19.4424 -71.4829 -19.4428 206.988 4.44705 -71.4821 4.44538 -267.236 GPRESSURE: 864400 97.7285 -62.8803 -89.2428 -60.5986 177.943 -11.3121 -21.4137 -35.1743 -222.547 PRESSAVG: 864400 -25.7624 -35.5732 21.0876 -35.5732 -0.767108 35.6665 21.0876 35.6665 -5.67239 GPRESSAVG: 864400 -22.4514 -32.4029 19.18 -37.0434 -4.08341 33.0473 22.3166 35.682 -5.96896 TIMING: 864400 CPU: 2694.27, 0.00320593/step Wall: 2694.27, 0.00320593/step, 3.6829 hours remaining, 235.023438 MB of memory in use. ENERGY: 864400 3927.4320 20247.0601 14457.1974 240.8539 -203363.2012 3016.1535 0.0000 0.0000 52216.6189 -109257.8854 300.0896 -161474.5043 -108875.5417 298.2035 -10.4137 17.7082 763072.0211 -10.7340 -10.8346 PRESSURE: 864600 -222.301 1.99425 205.449 1.99432 94.2479 -195.922 205.448 -195.922 -40.9464 GPRESSURE: 864600 -115.326 -62.845 166.754 108.974 125.231 -306.071 154.752 -127.585 -102.148 PRESSAVG: 864600 -4.82521 -39.4862 9.53205 -39.4862 0.699699 -67.5805 9.5321 -67.5805 0.656196 GPRESSAVG: 864600 -6.13473 -41.3372 12.3583 -38.5742 2.34098 -64.4182 8.49134 -68.9275 0.869158 TIMING: 864600 CPU: 2694.89, 0.00311219/step Wall: 2694.89, 0.00311219/step, 3.57505 hours remaining, 235.023438 MB of memory in use. ENERGY: 864600 4021.7406 20481.8827 14380.6086 240.7891 -202701.2237 2681.5006 0.0000 0.0000 51849.3451 -109045.3568 297.9789 -160894.7020 -108677.7764 298.4464 -56.3333 -30.7475 763889.2277 -1.1564 -0.9749 PRESSURE: 864800 203.644 -181.64 -33.3472 -181.641 -402.227 227.445 -33.3463 227.445 49.9644 GPRESSURE: 864800 169.806 -17.6232 -67.2793 -115.87 -354.397 231.795 -30.8743 161.869 123.837 PRESSAVG: 864800 14.1788 -0.694904 11.0225 -0.694897 -14.7402 -32.6031 11.0225 -32.6031 12.161 GPRESSAVG: 864800 13.872 0.864772 9.6662 0.0521018 -13.9012 -33.1955 11.3106 -33.3012 12.3915 TIMING: 864800 CPU: 2695.52, 0.00312225/step Wall: 2695.52, 0.00312225/step, 3.58643 hours remaining, 235.023438 MB of memory in use. ENERGY: 864800 3943.9230 20497.8956 14487.3898 257.6150 -202690.7709 2562.2997 0.0000 0.0000 52020.9751 -108920.6727 298.9653 -160941.6478 -108548.9384 298.8534 -49.5395 -20.2511 764779.0840 3.8665 4.1208 PRESSURE: 865000 -110.85 -97.2166 240.051 -97.2157 74.8934 -45.6297 240.05 -45.63 106.061 GPRESSURE: 865000 -37.0616 28.46 202.735 -51.7786 90.6528 58.0854 134.79 -75.7444 90.517 PRESSAVG: 865000 -30.6874 -15.0991 10.6252 -15.099 -4.35817 9.50643 10.6252 9.50644 8.78585 GPRESSAVG: 865000 -30.1104 -18.1407 11.971 -15.8198 -4.18983 8.42137 9.63708 11.73 8.00782 TIMING: 865000 CPU: 2696.14, 0.00309905/step Wall: 2696.14, 0.00309905/step, 3.55961 hours remaining, 235.023438 MB of memory in use. ENERGY: 865000 4033.7350 20471.0395 14473.5132 256.0923 -202716.3626 2738.3112 0.0000 0.0000 51989.8484 -108753.8230 298.7864 -160743.6713 -108401.5591 299.4143 23.3682 48.0361 764531.2415 -8.7533 -8.7641 PRESSURE: 865200 68.5 19.2445 -132.936 19.2438 -104.15 -83.762 -132.936 -83.7625 -281.8 GPRESSURE: 865200 133.464 119.775 -104.786 71.4334 -92.7761 -112.793 -2.48067 -36.3909 -266.361 PRESSAVG: 865200 -14.8255 43.3264 -21.1599 43.3265 2.28819 12.7831 -21.16 12.7832 -17.3647 GPRESSAVG: 865200 -14.955 46.0618 -24.024 42.3667 0.451319 12.7468 -19.3781 12.0439 -15.9646 TIMING: 865200 CPU: 2696.76, 0.00311519/step Wall: 2696.76, 0.00311519/step, 3.57797 hours remaining, 235.023438 MB of memory in use. ENERGY: 865200 4020.2662 20430.0583 14509.8066 261.5939 -202636.4821 2733.7714 0.0000 0.0000 51931.2605 -108749.7254 298.4497 -160680.9859 -108388.4592 299.3336 -105.8168 -75.2242 765460.7373 -9.9673 -10.1561 PRESSURE: 865400 -19.8233 131.034 37.4966 131.034 264.586 94.0051 37.4969 94.004 177.695 GPRESSURE: 865400 56.2653 20.7322 52.1343 170.057 308.336 137.961 -98.2675 227.293 139.31 PRESSAVG: 865400 -69.6616 57.4851 -24.5792 57.4851 46.1358 -9.26148 -24.5792 -9.26144 -6.9428 GPRESSAVG: 865400 -69.3397 55.5345 -22.5014 58.2826 46.9188 -6.89223 -26.0632 -9.91944 -8.19506 TIMING: 865400 CPU: 2697.38, 0.0031123/step Wall: 2697.38, 0.0031123/step, 3.57448 hours remaining, 235.023438 MB of memory in use. ENERGY: 865400 4008.2742 20434.2403 14476.0724 248.3507 -203132.1113 2935.0725 0.0000 0.0000 52245.7981 -108784.3032 300.2573 -161030.1012 -108414.8997 299.7964 140.8194 167.9704 765075.5968 -10.1562 -10.2053 PRESSURE: 865600 288.098 173.751 -72.7023 173.752 -267.444 78.1908 -72.7027 78.1898 261.417 GPRESSURE: 865600 267.117 186.697 -92.0513 239.879 -152.493 51.1 -52.7458 11.3747 232.594 PRESSAVG: 865600 -39.7369 -6.34391 -3.94382 -6.34393 41.1127 -10.2827 -3.94383 -10.2827 6.64762 GPRESSAVG: 865600 -41.3669 -7.1173 -5.53002 -4.48865 41.8627 -10.9193 -2.50699 -10.5764 7.58815 TIMING: 865600 CPU: 2698.01, 0.00312348/step Wall: 2698.01, 0.00312348/step, 3.58714 hours remaining, 235.023438 MB of memory in use. ENERGY: 865600 3978.9100 20439.3631 14528.4227 248.6432 -203129.5597 2995.1202 0.0000 0.0000 52233.7598 -108705.3406 300.1881 -160939.1004 -108341.3784 299.5050 94.0241 115.7392 764546.8428 2.6745 2.6947 PRESSURE: 865800 249.626 -104.336 -157.739 -104.336 8.56931 60.6979 -157.739 60.6976 -116.827 GPRESSURE: 865800 300.648 -94.8525 -58.7391 -140.168 94.8074 86.4105 -143.371 57.8246 -188.511 PRESSAVG: 865800 44.6068 13.3333 -56.2893 13.3333 -51.2048 89.1892 -56.2893 89.1892 -4.1542 GPRESSAVG: 865800 44.6662 12.1112 -54.8583 12.5001 -51.2406 87.1911 -56.0439 91.3012 -4.59545 TIMING: 865800 CPU: 2698.63, 0.0031211/step Wall: 2698.63, 0.0031211/step, 3.58423 hours remaining, 235.023438 MB of memory in use. ENERGY: 865800 3960.7366 20558.5037 14511.0789 235.3745 -203071.6763 2918.3484 0.0000 0.0000 52308.2622 -108579.3720 300.6163 -160887.6341 -108216.6578 299.4222 47.1225 68.9816 763462.3450 -3.5841 -3.7233 PRESSURE: 866000 67.5187 -107.154 155.743 -107.154 -50.5071 -0.0965699 155.744 -0.0975431 -260.924 GPRESSURE: 866000 86.0191 -25.1656 165.756 -120.397 -78.7752 102.893 114.428 -5.8143 -157.02 PRESSAVG: 866000 39.7503 -26.8528 -23.5691 -26.8528 -16.9276 50.1884 -23.5692 50.1883 13.7619 GPRESSAVG: 866000 40.6716 -23.5548 -23.9509 -30.4374 -17.3619 52.4415 -24.9321 48.4431 14.0446 TIMING: 866000 CPU: 2699.26, 0.00315784/step Wall: 2699.26, 0.00315785/step, 3.62626 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 866000 3996.1858 20357.4313 14562.2911 266.0377 -202718.1469 2728.7182 0.0000 0.0000 52047.4773 -108760.0056 299.1176 -160807.4829 -108401.1112 299.8739 -81.3042 -49.9255 765383.4481 12.1949 12.4515 PRESSURE: 866200 252.965 186.972 -365.932 186.973 361.806 1.92338 -365.931 1.92375 -185.494 GPRESSURE: 866200 247.756 80.986 -274.528 154.409 288.615 13.7115 -368.615 -139.075 -54.0467 PRESSAVG: 866200 25.2108 5.87296 -47.5407 5.87296 -32.6103 36.9033 -47.5407 36.9033 -17.8472 GPRESSAVG: 866200 23.5659 4.30202 -47.0076 9.59503 -32.8403 36.2596 -46.7842 37.3286 -16.0302 TIMING: 866200 CPU: 2699.89, 0.00312626/step Wall: 2699.89, 0.00312626/step, 3.58982 hours remaining, 235.023438 MB of memory in use. ENERGY: 866200 3980.7454 20540.1362 14520.1506 260.5621 -203178.1565 3035.4350 0.0000 0.0000 52134.7230 -108706.4041 299.6190 -160841.1272 -108340.1144 299.4342 143.0920 160.7749 763455.8003 -8.4156 -8.4349 PRESSURE: 866400 124.773 -51.6022 31.0486 -51.6021 -102.883 115.725 31.0486 115.723 221.494 GPRESSURE: 866400 89.1998 -37.8046 44.0593 -39.784 35.4462 133.103 4.58245 177.915 204.234 PRESSAVG: 866400 3.20286 -6.89223 -10.5505 -6.89226 2.91401 1.23686 -10.5505 1.2369 -1.76134 GPRESSAVG: 866400 4.47552 -6.81811 -10.1184 -8.6098 3.7012 0.955153 -11.649 0.860082 -3.6403 TIMING: 866400 CPU: 2700.51, 0.00311478/step Wall: 2700.51, 0.00311478/step, 3.57646 hours remaining, 235.023438 MB of memory in use. ENERGY: 866400 4057.4571 20331.4886 14555.3341 232.2336 -203200.4147 3028.6126 0.0000 0.0000 52438.1642 -108557.1245 301.3629 -160995.2886 -108180.1332 299.9086 81.1279 109.6267 765992.1971 1.4518 1.5121 PRESSURE: 866600 270.065 86.464 27.2405 86.4636 78.0079 -38.7132 27.2409 -38.7135 398.744 GPRESSURE: 866600 313.82 119.084 14.3183 90.4653 102.962 -71.7402 65.571 -127.932 425.334 PRESSAVG: 866600 0.128854 -4.72793 -8.08986 -4.72785 4.86957 -21.3988 -8.08986 -21.3988 -19.9913 GPRESSAVG: 866600 0.598764 -2.72663 -9.35267 -4.48018 4.24023 -19.818 -7.48702 -21.7726 -19.7829 TIMING: 866600 CPU: 2701.14, 0.00312652/step Wall: 2701.14, 0.00312652/step, 3.58976 hours remaining, 235.023438 MB of memory in use. ENERGY: 866600 4017.2660 20376.2255 14492.2686 253.1559 -202928.9231 2855.0093 0.0000 0.0000 52406.6750 -108528.3226 301.1819 -160934.9976 -108157.0235 300.4987 248.9390 280.7054 764012.4614 -4.9976 -4.9813 PRESSURE: 866800 88.0982 20.8359 -44.5445 20.8347 -118.836 -362.955 -44.5447 -362.956 -256.691 GPRESSURE: 866800 61.3357 -22.6427 56.6006 68.0369 -27.8334 -342.059 -112.169 -372.821 -228.551 PRESSAVG: 866800 60.9943 -57.7321 -46.1629 -57.7321 -6.92377 -38.8113 -46.1628 -38.8113 -3.81969 GPRESSAVG: 866800 60.3474 -58.9986 -46.2062 -58.5758 -6.48351 -38.3508 -45.3101 -38.8989 -3.69432 TIMING: 866800 CPU: 2701.76, 0.00313122/step Wall: 2701.76, 0.00313122/step, 3.59499 hours remaining, 235.023438 MB of memory in use. ENERGY: 866800 4049.2446 20461.7491 14512.5676 261.2150 -203062.5622 2911.0572 0.0000 0.0000 52269.2526 -108597.4761 300.3921 -160866.7287 -108230.2649 299.7446 -95.8098 -65.0161 765753.2566 16.7503 16.7232 PRESSURE: 867000 -357.735 -249.317 5.20691 -249.317 311.512 16.1273 5.20716 16.1269 -286.118 GPRESSURE: 867000 -263.79 -118.041 45.3617 -212.481 318.371 54.4789 -66.4774 -1.48418 -280.382 PRESSAVG: 867000 7.70803 -58.6965 -46.0581 -58.6965 -3.29488 8.85655 -46.0581 8.85653 2.43323 GPRESSAVG: 867000 9.74147 -59.7616 -45.8883 -56.8781 -3.96441 6.83502 -47.0168 10.6567 1.48237 TIMING: 867000 CPU: 2702.39, 0.00314225/step Wall: 2702.39, 0.00314225/step, 3.60747 hours remaining, 235.023438 MB of memory in use. ENERGY: 867000 4075.7607 20538.8842 14512.2684 233.2322 -202997.3488 2802.7431 0.0000 0.0000 52140.7197 -108693.7405 299.6534 -160834.4602 -108330.4609 299.6606 -110.7803 -75.2672 765282.0627 2.2821 2.4198 PRESSURE: 867200 66.3538 -14.5001 125.922 -14.5002 -90.6601 -1.31386 125.922 -1.31366 -14.7099 GPRESSURE: 867200 72.9473 -37.516 192.169 32.466 -74.5928 61.9711 181.608 205.14 41.5895 PRESSAVG: 867200 -12.4137 -2.82705 11.9365 -2.82702 12.1764 42.5857 11.9366 42.5857 13.0262 GPRESSAVG: 867200 -13.5553 -1.65251 13.7986 -3.23608 13.2507 43.098 12.463 42.6492 13.3206 TIMING: 867200 CPU: 2703.01, 0.00311956/step Wall: 2703.01, 0.00311956/step, 3.58126 hours remaining, 235.023438 MB of memory in use. ENERGY: 867200 4032.6370 20342.9189 14483.4767 267.1929 -202857.3854 2710.4484 0.0000 0.0000 52079.7412 -108940.9703 299.3030 -161020.7115 -108576.2243 299.5793 -13.0054 13.3147 764690.5617 4.2630 4.3387 PRESSURE: 867400 191.775 70.209 1.7351 70.2085 379.297 36.6361 1.73471 36.6363 344.64 GPRESSURE: 867400 283.734 77.0673 -69.4828 196.091 382.008 15.2373 6.94112 -79.4484 315.799 PRESSAVG: 867400 17.7219 -29.6376 -39.0056 -29.6376 -2.44769 -10.6826 -39.0055 -10.6826 -23.3648 GPRESSAVG: 867400 18.0182 -27.5665 -40.6253 -30.5325 -3.81241 -10.6699 -36.6395 -9.90428 -22.691 TIMING: 867400 CPU: 2703.64, 0.00311713/step Wall: 2703.64, 0.00311713/step, 3.5783 hours remaining, 235.023438 MB of memory in use. ENERGY: 867400 4071.8375 20569.6915 14493.0252 255.1415 -203449.6669 3224.6515 0.0000 0.0000 51849.8683 -108985.4514 297.9819 -160835.3197 -108641.0261 299.1981 305.2376 327.1803 762949.6867 -2.6969 -2.8284 PRESSURE: 867600 -91.3722 -20.8059 -138.33 -20.8063 142.764 87.4416 -138.33 87.4403 -286.989 GPRESSURE: 867600 -57.7949 9.52755 -123.076 -2.30715 99.1567 65.8887 -110.156 93.984 -183.344 PRESSAVG: 867600 34.6085 -15.6692 -7.92757 -15.6692 -2.5503 -6.90559 -7.92756 -6.90556 -5.57588 GPRESSAVG: 867600 34.8061 -17.6701 -7.15458 -15.8879 -0.474624 -7.9706 -11.003 -7.29325 -7.43148 TIMING: 867600 CPU: 2704.26, 0.00310364/step Wall: 2704.26, 0.00310364/step, 3.56263 hours remaining, 235.023438 MB of memory in use. ENERGY: 867600 4035.6149 20492.7516 14460.1317 241.5771 -203145.9277 2761.1539 0.0000 0.0000 52232.6576 -108922.0409 300.1818 -161154.6985 -108554.9766 299.4887 -78.5327 -47.3275 763106.9853 8.8274 8.9667 PRESSURE: 867800 -169.007 62.9476 119.458 62.9479 204.111 -149.136 119.459 -149.136 -5.41166 GPRESSURE: 867800 -136.608 -10.0212 78.5232 108.806 206.57 -151.284 156.142 -119.073 56.1507 PRESSAVG: 867800 -16.7495 -54.561 -43.4588 -54.561 26.3356 -24.1215 -43.4588 -24.1216 -27.8608 GPRESSAVG: 867800 -16.7781 -53.3179 -44.1887 -55.12 24.836 -24.025 -40.1782 -23.7187 -27.0188 TIMING: 867800 CPU: 2704.88, 0.00311316/step Wall: 2704.88, 0.00311316/step, 3.57339 hours remaining, 235.023438 MB of memory in use. ENERGY: 867800 4018.4210 20546.4335 14584.1127 251.3503 -203184.5482 2728.8706 0.0000 0.0000 52145.2065 -108910.1536 299.6792 -161055.3601 -108550.2234 299.6993 9.8977 42.0376 762797.0614 -6.0916 -6.3203 PRESSURE: 868000 -102.116 -106.09 -13.8139 -106.09 -168.772 131.227 -13.8141 131.227 -24.0207 GPRESSURE: 868000 -29.4086 -27.9907 -18.4424 -169.147 -161.731 218.388 -46.5896 136.583 -9.18756 PRESSAVG: 868000 -4.99071 -37.5453 -0.0539428 -37.5453 -0.125445 9.21933 -0.0538953 9.21926 -17.4918 GPRESSAVG: 868000 -5.73153 -40.3333 0.517024 -36.6587 1.18933 9.96131 -3.36079 7.94601 -18.0445 TIMING: 868000 CPU: 2705.51, 0.00313739/step Wall: 2705.51, 0.00313739/step, 3.60103 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 868000 4015.7608 20468.2392 14512.9510 231.1162 -203078.4014 3036.3343 0.0000 0.0000 51936.2063 -108877.7936 298.4781 -160813.9999 -108519.2153 299.0847 -98.3030 -66.7756 762782.6133 -7.5360 -7.5289 PRESSURE: 868200 62.8885 -44.2635 53.5753 -44.2631 37.0348 36.5059 53.5746 36.5068 122.179 GPRESSURE: 868200 61.8254 38.1892 55.2866 -149.583 128.532 2.92207 62.4095 -42.9781 125.73 PRESSAVG: 868200 2.89575 3.54381 -30.4679 3.54379 14.0096 45.3396 -30.4679 45.3396 9.27959 GPRESSAVG: 868200 3.20534 4.72243 -31.2055 4.34727 12.7782 43.6555 -28.0264 46.4646 10.385 TIMING: 868200 CPU: 2706.13, 0.00311729/step Wall: 2706.13, 0.00311729/step, 3.57779 hours remaining, 235.023438 MB of memory in use. ENERGY: 868200 4053.8000 20452.5796 14536.3438 246.8535 -203072.0615 2894.2422 0.0000 0.0000 52078.4729 -108809.7695 299.2957 -160888.2423 -108441.8630 298.9600 74.0340 105.3625 764592.2362 8.7283 8.7895 LDB: ============= START OF LOAD BALANCING ============== 2718.61 LDB: ============== END OF LOAD BALANCING =============== 2718.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2718.61 LDB: ============= START OF LOAD BALANCING ============== 2718.92 LDB: Largest compute 6972 load 0.032567 is 16.7% of average load 0.195020 LDB: Average compute 0.004384 is 2.2% of average load 0.195020 LDB: TIME 2718.93 LOAD: AVG 0.19502 MAX 0.215122 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.891 MB LDB: TIME 2718.93 LOAD: AVG 0.19502 MAX 0.215122 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.094 MB LDB: TIME 2718.93 LOAD: AVG 0.19502 MAX 0.215122 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.094 MB LDB: ============== END OF LOAD BALANCING =============== 2718.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2718.93 PRESSURE: 868400 257.572 114.709 17.5895 114.709 25.9572 18.9817 17.5905 18.9824 345.251 GPRESSURE: 868400 255.985 47.7854 40.0597 13.3155 81.2709 16.9889 56.4286 82.7965 356.134 PRESSAVG: 868400 14.0187 3.25105 10.2163 3.25107 22.9193 5.26852 10.2163 5.26847 -1.98927 GPRESSAVG: 868400 13.8127 4.37334 13.2683 3.07259 22.4955 8.16386 8.68017 4.26295 -1.67991 TIMING: 868400 CPU: 2706.77, 0.00318226/step Wall: 2706.77, 0.00318226/step, 3.65217 hours remaining, 234.820312 MB of memory in use. ENERGY: 868400 4049.0172 20735.8169 14564.5076 218.6522 -203859.9046 3404.4874 0.0000 0.0000 51991.5477 -108895.8755 298.7961 -160887.4232 -108547.7905 299.1603 209.5934 231.1300 763240.7764 11.6496 11.5428 PRESSURE: 868600 -100.055 -115.652 124.6 -115.651 -251.921 -37.3836 124.6 -37.3849 -43.3375 GPRESSURE: 868600 -16.4106 -138.397 115.751 -76.9769 -263.317 -22.3052 150.022 71.9621 -37.3248 PRESSAVG: 868600 -19.2878 -3.00347 -20.3195 -3.00346 41.4566 48.9624 -20.3196 48.9624 -4.02866 GPRESSAVG: 868600 -19.5378 -5.20915 -21.3968 -2.63633 42.7077 48.3039 -21.5221 48.6151 -4.89861 TIMING: 868600 CPU: 2707.39, 0.00312217/step Wall: 2707.39, 0.00312217/step, 3.58304 hours remaining, 234.820312 MB of memory in use. ENERGY: 868600 4096.7911 20494.8575 14536.2987 236.0674 -203106.6763 2942.8516 0.0000 0.0000 52133.1341 -108666.6759 299.6098 -160799.8100 -108300.8491 299.9753 -131.7710 -105.6842 764594.4450 6.0467 6.0904 PRESSURE: 868800 -78.74 178.452 -39.1559 178.451 -23.8834 -47.1234 -39.155 -47.1241 -35.7527 GPRESSURE: 868800 32.722 84.7927 -37.5391 208.573 -76.8608 68.51 -19.7049 -1.73962 -12.3008 PRESSAVG: 868800 -31.5721 -31.4882 54.5859 -31.4882 27.5722 17.4674 54.5859 17.4674 -9.01952 GPRESSAVG: 868800 -31.7593 -30.2971 52.5206 -32.5377 26.1244 18.1896 56.0025 18.3002 -7.22066 TIMING: 868800 CPU: 2708.02, 0.0031192/step Wall: 2708.02, 0.0031192/step, 3.57946 hours remaining, 234.820312 MB of memory in use. ENERGY: 868800 3976.2159 20603.4071 14528.0230 245.3531 -203008.6146 2724.0813 0.0000 0.0000 52109.1378 -108822.3964 299.4719 -160931.5342 -108455.9294 299.9106 -46.1254 -18.8132 764924.0130 -4.3398 -4.2852 PRESSURE: 869000 -57.4843 34.1429 74.711 34.1433 -110.869 -323.957 74.7106 -323.956 -180.966 GPRESSURE: 869000 -41.1373 66.1494 93.885 -85.5945 19.2563 -340.544 83.0449 -349.911 -236.121 PRESSAVG: 869000 -29.6483 -37.596 60.5565 -37.5961 8.61945 10.5173 60.5565 10.5173 5.88025 GPRESSAVG: 869000 -29.047 -36.7711 61.3534 -36.4852 9.81272 9.62903 58.5114 10.6273 4.27829 TIMING: 869000 CPU: 2708.64, 0.00311103/step Wall: 2708.64, 0.00311103/step, 3.56991 hours remaining, 234.820312 MB of memory in use. ENERGY: 869000 4033.3241 20642.4292 14511.7134 235.9843 -203051.7766 2771.0552 0.0000 0.0000 51941.7488 -108915.5215 298.5099 -160857.2703 -108551.3188 299.5633 -116.4399 -86.0006 764935.8092 -5.0495 -4.9853 PRESSURE: 869200 -64.9348 9.99696 195.64 9.99632 -255.751 111.036 195.64 111.036 -154.426 GPRESSURE: 869200 -56.3379 -47.8006 128.284 -16.04 -178.717 69.9367 -25.2207 35.7823 -144.949 PRESSAVG: 869200 64.6675 -55.7642 29.0235 -55.7642 -19.4219 -8.43441 29.0236 -8.43441 2.95258 GPRESSAVG: 869200 63.6274 -56.3182 27.0771 -55.8416 -20.0929 -7.74345 31.3449 -10.7378 4.54463 TIMING: 869200 CPU: 2709.26, 0.00313103/step Wall: 2709.26, 0.00313103/step, 3.59268 hours remaining, 234.820312 MB of memory in use. ENERGY: 869200 4023.2105 20615.6559 14515.0189 243.7139 -202972.8189 2728.2082 0.0000 0.0000 52074.6967 -108772.3148 299.2740 -160847.0115 -108417.1747 300.0530 -158.3705 -126.6681 763916.1475 16.0661 16.0264 PRESSURE: 869400 159.91 -196.557 -253.277 -196.557 -6.63583 165.876 -253.277 165.877 -269.187 GPRESSURE: 869400 159.006 -136.753 -231.412 -145.832 -8.70287 174.419 -16.1281 146.203 -188.668 PRESSAVG: 869400 15.6245 8.68226 30.3708 8.68222 -2.11085 -14.1788 30.3708 -14.1788 -23.84 GPRESSAVG: 869400 16.021 9.07845 31.3215 7.06024 -1.94724 -14.9612 32.0546 -10.6551 -24.4823 TIMING: 869400 CPU: 2709.89, 0.00312324/step Wall: 2709.89, 0.00312324/step, 3.58357 hours remaining, 234.820312 MB of memory in use. ENERGY: 869400 4046.9687 20670.7468 14465.4895 248.2890 -203276.9540 2893.6893 0.0000 0.0000 51958.5724 -108993.1982 298.6066 -160951.7707 -108626.0574 299.6558 -38.6376 -12.7885 764978.7381 -3.4421 -3.4695 PRESSURE: 869600 -98.1464 -2.87218 209.836 -2.87155 103.115 -199.282 209.836 -199.281 336.212 GPRESSURE: 869600 -44.228 -63.3923 117.367 36.6961 95.9866 -167.468 228.004 -200.571 370.603 PRESSAVG: 869600 -2.03066 -9.53153 59.5934 -9.5315 -6.82633 16.6784 59.5934 16.6783 -12.106 GPRESSAVG: 869600 -1.53615 -10.2849 61.5352 -7.13695 -7.10465 17.9416 56.3229 14.0118 -11.8029 TIMING: 869600 CPU: 2710.52, 0.0031297/step Wall: 2710.52, 0.0031297/step, 3.59081 hours remaining, 234.820312 MB of memory in use. ENERGY: 869600 3974.5615 20614.5645 14458.7483 253.3239 -203679.7250 3207.8066 0.0000 0.0000 52118.8168 -109051.9034 299.5276 -161170.7202 -108679.8861 299.1943 113.7268 140.7872 765266.8620 -6.9877 -6.8146 PRESSURE: 869800 -464.466 -134.491 265.826 -134.491 95.4601 110.678 265.825 110.678 -105.892 GPRESSURE: 869800 -357.742 -54.2233 169.06 -154.136 41.1647 96.4494 230.282 15.5436 -77.4626 PRESSAVG: 869800 33.576 -22.1684 39.7146 -22.1684 -8.93099 -9.45299 39.7145 -9.45301 16.3986 GPRESSAVG: 869800 33.4868 -19.7464 37.888 -24.1571 -9.38626 -10.292 39.2514 -7.3055 16.8492 TIMING: 869800 CPU: 2711.14, 0.00311567/step Wall: 2711.14, 0.00311567/step, 3.57454 hours remaining, 234.820312 MB of memory in use. ENERGY: 869800 3935.9570 20484.1047 14508.9921 251.2444 -202600.5703 2620.2928 0.0000 0.0000 51866.1151 -108933.8641 298.0753 -160799.9792 -108558.2396 299.1958 -158.2993 -131.3465 764363.6346 13.6812 13.6499 PRESSURE: 870000 335.464 37.5259 -27.3542 37.525 62.0446 -106.943 -27.3545 -106.944 -107.088 GPRESSURE: 870000 315.689 14.3248 -19.3835 9.15867 143.648 -146.766 -93.5196 -104.614 -48.238 PRESSAVG: 870000 -26.1091 3.51862 19.7766 3.51861 31.2187 36.4341 19.7766 36.4342 5.07703 GPRESSAVG: 870000 -26.0464 0.0106951 18.8515 4.03983 32.4937 36.8477 19.4429 35.969 3.93601 TIMING: 870000 CPU: 2711.76, 0.00312157/step Wall: 2711.76, 0.00312157/step, 3.58113 hours remaining, 234.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 870000 4033.6021 20345.4411 14520.0904 264.0604 -203438.4189 3237.0177 0.0000 0.0000 52081.8459 -108956.3613 299.3151 -161038.2073 -108606.1208 299.0161 96.8067 137.0330 764099.1860 3.3955 3.4611 PRESSURE: 870200 -105.373 -19.4636 30.4991 -19.4635 -76.372 69.0328 30.4998 69.0331 178.669 GPRESSURE: 870200 -95.072 0.321816 35.6824 -62.4296 22.358 133.521 18.7852 60.0448 147.237 PRESSAVG: 870200 -11.916 -6.46655 70.7918 -6.46652 23.3426 13.7607 70.7918 13.7607 -3.84889 GPRESSAVG: 870200 -13.0134 -5.21129 71.6791 -4.20611 22.9609 13.9575 73.0704 12.8801 -2.94478 TIMING: 870200 CPU: 2712.39, 0.00311856/step Wall: 2712.39, 0.00311856/step, 3.5775 hours remaining, 234.820312 MB of memory in use. ENERGY: 870200 3926.6953 20453.5338 14482.1369 262.6692 -203110.4477 2901.8372 0.0000 0.0000 52129.2742 -108954.3010 299.5877 -161083.5752 -108596.3931 299.1470 -1.0254 24.8410 764628.3584 2.5259 2.3342 PRESSURE: 870400 -108.597 13.9111 30.7274 13.9117 92.9434 -149.657 30.7267 -149.656 -77.8301 GPRESSURE: 870400 -99.0981 -89.8941 1.39493 -69.3412 180.486 -136.378 -97.8212 -27.2396 -110.374 PRESSAVG: 870400 -6.00249 18.7827 10.6044 18.7828 5.42077 -17.8653 10.6044 -17.8653 3.28311 GPRESSAVG: 870400 -5.05483 19.9884 9.36913 15.1033 5.43504 -17.8717 8.83171 -15.4436 2.15894 TIMING: 870400 CPU: 2713.01, 0.00310068/step Wall: 2713.01, 0.00310068/step, 3.55683 hours remaining, 234.820312 MB of memory in use. ENERGY: 870400 3998.9645 20577.1993 14564.1875 258.2735 -203076.4068 2989.7835 0.0000 0.0000 51859.8617 -108828.1368 298.0393 -160687.9986 -108470.3014 298.9158 -31.1613 -9.6619 765776.3961 0.9005 0.8464 PRESSURE: 870600 -9.67361 -50.1797 64.3067 -50.1802 255.113 -82.0567 64.3062 -82.0561 -180.334 GPRESSURE: 870600 14.535 -102.308 75.2944 31.1889 232.163 -164.154 157.874 -101.434 -91.9038 PRESSAVG: 870600 -36.6293 -65.7146 35.6604 -65.7146 43.4503 21.2317 35.6604 21.2317 18.5429 GPRESSAVG: 870600 -36.9995 -66.2724 37.4178 -63.8314 42.1591 18.37 37.0911 21.6627 20.2705 TIMING: 870600 CPU: 2713.63, 0.00309893/step Wall: 2713.63, 0.00309893/step, 3.55465 hours remaining, 234.820312 MB of memory in use. ENERGY: 870600 4108.2580 20514.6508 14454.6422 259.9249 -203435.1288 3233.2340 0.0000 0.0000 51904.9938 -108959.4250 298.2987 -160864.4188 -108597.5512 299.0641 21.7017 51.5980 764884.7550 8.4546 8.4767 PRESSURE: 870800 -116.401 48.5096 120.021 48.51 5.84835 -44.7649 120.02 -44.7647 8.3651 GPRESSURE: 870800 -125.626 21.538 128.807 51.004 98.5342 -77.7665 66.2856 -78.6181 -20.0798 PRESSAVG: 870800 -52.3623 8.04398 42.9009 8.04389 18.5564 -18.4599 42.9009 -18.4598 -5.99318 GPRESSAVG: 870800 -51.7586 8.65434 42.1942 7.17338 18.8379 -17.3387 44.1982 -19.1468 -6.92819 TIMING: 870800 CPU: 2714.25, 0.00310003/step Wall: 2714.25, 0.00310003/step, 3.55573 hours remaining, 234.820312 MB of memory in use. ENERGY: 870800 4039.3645 20353.8548 14537.9220 244.4495 -203093.4690 2912.1880 0.0000 0.0000 52096.7465 -108908.9436 299.4007 -161005.6901 -108537.6731 299.3740 -34.0625 -15.7238 767035.0565 -13.2663 -13.2830 PRESSURE: 871000 69.5264 -117.54 -76.0895 -117.54 53.8157 -113.837 -76.0885 -113.837 1.01587 GPRESSURE: 871000 124.38 -116.959 -98.6035 -69.9321 57.3386 -123.458 -137.595 -211.452 -1.95718 PRESSAVG: 871000 27.4938 -34.5634 42.0539 -34.5633 -17.4184 11.6864 42.0539 11.6864 9.80053 GPRESSAVG: 871000 27.1458 -34.6608 42.0239 -34.2105 -17.3533 13.9397 41.0187 11.0165 10.1265 TIMING: 871000 CPU: 2714.87, 0.00310249/step Wall: 2714.87, 0.00310249/step, 3.55838 hours remaining, 234.820312 MB of memory in use. ENERGY: 871000 3970.2544 20431.1055 14477.2184 231.1281 -202873.3845 2889.2814 0.0000 0.0000 52029.3127 -108845.0840 299.0132 -160874.3966 -108483.2565 298.7481 41.4527 59.9206 765735.2990 6.6253 6.6397 PRESSURE: 871200 66.7183 25.778 -64.9089 25.7781 219.842 34.1716 -64.9089 34.171 -231.368 GPRESSURE: 871200 60.0123 -3.84816 -57.9429 -76.4774 232.352 34.6616 -19.7169 90.498 -166.633 PRESSAVG: 871200 -21.7004 -15.1186 -8.94553 -15.1186 -4.58645 37.5001 -8.94553 37.5 0.271878 GPRESSAVG: 871200 -22.7121 -16.1804 -9.23685 -14.8609 -3.28828 38.6876 -8.1109 37.8652 -0.271062 TIMING: 871200 CPU: 2715.49, 0.00309535/step Wall: 2715.49, 0.00309535/step, 3.55003 hours remaining, 234.820312 MB of memory in use. ENERGY: 871200 4013.8963 20365.4898 14488.7130 245.7529 -202930.2591 2774.9098 0.0000 0.0000 52073.6943 -108967.8030 299.2682 -161041.4973 -108615.5556 299.0895 18.3974 41.9106 764860.1028 -8.6717 -8.7571 PRESSURE: 871400 15.0608 133.597 231.884 133.597 -39.9618 -7.70846 231.884 -7.70865 137.846 GPRESSURE: 871400 84.3563 135.571 305.713 180.165 12.8148 -26.6452 218.718 -38.322 92.8021 PRESSAVG: 871400 -9.09435 -22.3868 -42.7105 -22.3868 -7.55026 56.777 -42.7105 56.777 -3.31865 GPRESSAVG: 871400 -7.31491 -22.3253 -42.5387 -21.757 -8.77025 54.8081 -43.0311 55.9596 -3.41684 TIMING: 871400 CPU: 2716.11, 0.00310978/step Wall: 2716.11, 0.00310978/step, 3.5664 hours remaining, 234.820312 MB of memory in use. ENERGY: 871400 3954.9234 20537.6162 14515.0726 252.8947 -203261.0562 3027.7941 0.0000 0.0000 52114.0949 -108858.6602 299.5004 -160972.7551 -108504.2191 299.0707 37.6483 63.3244 764693.8348 -6.6544 -6.5007 PRESSURE: 871600 202.528 -33.2322 -201.617 -33.2324 -228.549 -85.8104 -201.616 -85.8112 -190.003 GPRESSURE: 871600 195.685 -157.746 -327.994 -43.7748 -228.847 -109.844 -342.177 -98.8972 -104.258 PRESSAVG: 871600 -26.7349 -30.2514 2.13312 -30.2514 42.1018 11.1965 2.13312 11.1966 -7.03447 GPRESSAVG: 871600 -27.5387 -31.7879 1.97331 -31.8202 42.611 11.3829 2.04639 11.7102 -6.84733 TIMING: 871600 CPU: 2716.73, 0.0031173/step Wall: 2716.73, 0.0031173/step, 3.57486 hours remaining, 234.820312 MB of memory in use. ENERGY: 871600 4021.8237 20473.7417 14475.8876 226.0277 -203147.9438 2725.7861 0.0000 0.0000 52259.7790 -108964.8979 300.3377 -161224.6770 -108595.2447 299.0210 -72.0080 -45.8065 765530.9964 2.7775 2.7417 PRESSURE: 871800 -333.159 10.1169 6.53565 10.1161 -349.682 47.5032 6.53572 47.5024 -62.1321 GPRESSURE: 871800 -374.456 58.8927 138.069 -105.122 -190.772 34.7397 10.1628 108.237 -91.1329 PRESSAVG: 871800 -15.7448 -28.8813 57.3227 -28.8813 -35.2784 19.4698 57.3227 19.4699 -22.1126 GPRESSAVG: 871800 -16.5024 -26.9252 58.1428 -28.795 -34.9075 19.9 59.343 18.9018 -21.9105 TIMING: 871800 CPU: 2717.36, 0.00312417/step Wall: 2717.36, 0.00312417/step, 3.58256 hours remaining, 234.820312 MB of memory in use. ENERGY: 871800 4018.0814 20594.9642 14453.5148 246.6187 -203144.6200 2968.3639 0.0000 0.0000 51930.5111 -108932.5658 298.4454 -160863.0769 -108573.2370 298.5517 -248.3245 -218.7867 766431.3895 -24.3786 -24.4402 PRESSURE: 872000 125.611 127.522 -93.7558 127.521 120.106 65.3911 -93.7556 65.3913 149.298 GPRESSURE: 872000 177.018 -29.7077 -21.943 173.874 145.453 154.769 -99.2566 -78.5892 189.641 PRESSAVG: 872000 -7.72317 1.70619 -25.8412 1.70619 43.6907 35.5758 -25.8412 35.5758 1.80936 GPRESSAVG: 872000 -7.06501 0.56416 -24.3842 1.58069 42.7568 35.324 -29.4684 34.6398 2.1176 TIMING: 872000 CPU: 2717.98, 0.00312602/step Wall: 2717.98, 0.00312603/step, 3.58451 hours remaining, 234.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 872000 3925.7057 20265.4076 14519.5179 262.6213 -203223.0549 3305.3722 0.0000 0.0000 52074.7440 -108869.6862 299.2743 -160944.4302 -108510.8586 298.9626 131.6718 170.7041 766174.6047 12.5923 12.6031 PRESSURE: 872200 -221.324 127.428 -93.9696 127.427 227.578 -215.12 -93.9705 -215.119 91.6652 GPRESSURE: 872200 -83.085 158.503 -34.8198 71.1114 219.334 -124.3 -30.8392 -221.045 59.4366 PRESSAVG: 872200 -32.0887 -0.376242 4.38028 -0.376195 27.7582 54.806 4.38032 54.8061 -6.30552 GPRESSAVG: 872200 -33.1281 -0.981732 2.01259 -0.953278 29.2532 56.0634 7.22893 54.7038 -7.03014 TIMING: 872200 CPU: 2718.61, 0.00313088/step Wall: 2718.61, 0.00313088/step, 3.5899 hours remaining, 234.820312 MB of memory in use. ENERGY: 872200 4026.1614 20349.0987 14442.8899 253.5395 -203260.4325 3101.2375 0.0000 0.0000 52369.8250 -108717.6805 300.9701 -161087.5055 -108356.5189 298.8843 32.6397 65.2285 766432.5646 -3.5453 -3.6350 LDB: ============= START OF LOAD BALANCING ============== 2731.09 LDB: ============== END OF LOAD BALANCING =============== 2731.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2731.09 LDB: ============= START OF LOAD BALANCING ============== 2731.4 LDB: Largest compute 6972 load 0.033090 is 17.0% of average load 0.195100 LDB: Average compute 0.004378 is 2.2% of average load 0.195100 LDB: TIME 2731.41 LOAD: AVG 0.1951 MAX 0.214264 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.109 MB LDB: TIME 2731.41 LOAD: AVG 0.1951 MAX 0.214264 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.312 MB LDB: TIME 2731.41 LOAD: AVG 0.1951 MAX 0.214264 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.312 MB LDB: ============== END OF LOAD BALANCING =============== 2731.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2731.41 PRESSURE: 872400 180.061 21.3665 -373.083 21.367 231.851 -168.497 -373.082 -168.497 -61.3603 GPRESSURE: 872400 124.704 82.6033 -325.063 38.2438 352.527 -117.362 -242.84 -132.622 -35.5197 PRESSAVG: 872400 -36.8478 23.926 -10.2555 23.9261 31.1951 -11.5886 -10.2555 -11.5886 -3.54946 GPRESSAVG: 872400 -36.2781 26.3932 -9.5027 24.2687 30.7362 -10.6109 -10.7718 -10.2424 -3.5797 TIMING: 872400 CPU: 2719.25, 0.00319909/step Wall: 2719.25, 0.00319909/step, 3.66794 hours remaining, 233.742188 MB of memory in use. ENERGY: 872400 3991.0143 20647.2960 14513.7493 257.2520 -203080.2881 3013.5917 0.0000 0.0000 52001.5553 -108655.8296 298.8537 -160657.3848 -108292.4328 299.2905 116.8505 147.2368 767578.5411 -3.0674 -3.0406 PRESSURE: 872600 -87.9437 126.248 -44.9367 126.249 355.227 -40.5024 -44.9368 -40.503 225.694 GPRESSURE: 872600 -44.9213 150.069 -79.7926 124.58 348.026 -65.7882 -24.5862 74.8947 260.667 PRESSAVG: 872600 -32.2745 1.56548 42.312 1.56542 14.8011 -8.4635 42.312 -8.46345 17.4618 GPRESSAVG: 872600 -31.6026 1.37945 40.78 1.55046 14.9839 -10.0915 43.3763 -7.38507 16.8754 TIMING: 872600 CPU: 2719.87, 0.00312143/step Wall: 2719.87, 0.00312143/step, 3.57872 hours remaining, 233.941406 MB of memory in use. ENERGY: 872600 3982.3876 20484.2151 14451.0566 245.8990 -202842.1845 2887.7224 0.0000 0.0000 52093.3576 -108697.5462 299.3812 -160790.9038 -108327.5378 299.2612 164.3256 187.9239 765332.9706 -0.0039 0.0856 PRESSURE: 872800 198.954 -91.3983 84.0022 -91.3986 111.407 -161.195 84.0022 -161.196 -364.003 GPRESSURE: 872800 233.775 -111.973 31.4643 -104.622 144.454 -246.489 80.0146 -103.517 -362.321 PRESSAVG: 872800 14.7139 -39.7423 -48.1504 -39.7423 15.5637 -23.3842 -48.1504 -23.3842 3.06307 GPRESSAVG: 872800 15.5326 -41.2013 -45.4216 -40.9974 14.4393 -24.1314 -52.2029 -23.994 2.93456 TIMING: 872800 CPU: 2720.5, 0.0031218/step Wall: 2720.5, 0.0031218/step, 3.57897 hours remaining, 233.941406 MB of memory in use. ENERGY: 872800 4002.0101 20715.7274 14438.1403 251.7865 -202861.3724 2884.3083 0.0000 0.0000 51886.2052 -108683.1946 298.1907 -160569.3998 -108329.2415 299.9625 -17.8809 5.3030 765495.9282 11.1136 10.9688 PRESSURE: 873000 -104.533 62.6517 -210.094 62.652 -277.855 -46.4962 -210.094 -46.4956 -44.4804 GPRESSURE: 873000 -156.876 -15.7144 -150.868 40.753 -311.088 -40.1245 -157.732 -46.2692 131.829 PRESSAVG: 873000 4.99511 0.975345 -67.4799 0.975317 29.9983 -12.7246 -67.4798 -12.7246 -30.1522 GPRESSAVG: 873000 3.1805 1.94465 -69.4398 1.28551 30.8146 -13.1143 -62.0256 -13.9317 -28.5843 TIMING: 873000 CPU: 2721.12, 0.00313281/step Wall: 2721.12, 0.00313281/step, 3.59141 hours remaining, 233.941406 MB of memory in use. ENERGY: 873000 4010.2024 20458.5257 14426.6836 244.0046 -202862.7870 2847.6934 0.0000 0.0000 52068.7671 -108806.9101 299.2399 -160875.6773 -108448.0668 299.6180 -142.2894 -112.0448 765054.3779 1.6138 1.8036 PRESSURE: 873200 -116.393 79.3659 -105.164 79.3658 -151.029 157.753 -105.163 157.752 -297.23 GPRESSURE: 873200 -62.4411 61.6098 -184.542 16.8026 -88.3107 170.552 -113.881 185.489 -318.755 PRESSAVG: 873200 -21.0246 76.8355 0.600331 76.8355 33.5352 35.2314 0.600305 35.2314 5.15449 GPRESSAVG: 873200 -19.4314 77.18 0.0449784 76.7248 32.2555 36.3888 -1.14164 34.4367 5.02137 TIMING: 873200 CPU: 2721.75, 0.00311757/step Wall: 2721.75, 0.00311756/step, 3.57377 hours remaining, 233.941406 MB of memory in use. ENERGY: 873200 4061.8692 20643.8733 14514.3440 261.3262 -203447.3102 2878.6398 0.0000 0.0000 52047.3645 -109039.8933 299.1169 -161087.2577 -108672.2064 299.2086 -188.2173 -156.5023 764094.7101 5.8884 5.9485 PRESSURE: 873400 -60.1941 28.4923 99.7972 28.492 -211.146 58.7517 99.7978 58.7525 -84.8394 GPRESSURE: 873400 -32.5968 -10.4959 96.6513 38.7964 -199.543 18.0708 41.5687 25.0518 -38.5934 PRESSAVG: 873400 54.8329 36.4007 -48.868 36.4007 -61.4505 28.4222 -48.868 28.4222 9.25817 GPRESSAVG: 873400 54.6914 36.0642 -48.3335 37.5497 -60.1977 28.1534 -50.5977 30.5267 8.4774 TIMING: 873400 CPU: 2722.37, 0.00311429/step Wall: 2722.37, 0.00311429/step, 3.56984 hours remaining, 233.941406 MB of memory in use. ENERGY: 873400 3971.8585 20608.2407 14526.7571 256.7632 -203254.3194 2855.3735 0.0000 0.0000 52018.6971 -109016.6292 298.9522 -161035.3263 -108650.3092 299.0615 -118.7266 -90.2444 763609.0368 0.8802 0.9904 PRESSURE: 873600 -82.792 64.4998 -11.4146 64.4999 -303.83 7.13085 -11.4148 7.13068 -52.8137 GPRESSURE: 873600 -40.2124 25.3031 -15.909 18.536 -246.389 12.3009 8.70154 -14.2506 -78.7034 PRESSAVG: 873600 -9.16031 5.33012 20.9859 5.32998 -0.684753 -16.6784 20.986 -16.6784 9.2495 GPRESSAVG: 873600 -10.5429 4.3563 21.8408 5.50439 0.642614 -16.9945 21.976 -18.6795 8.7529 TIMING: 873600 CPU: 2722.99, 0.00311728/step Wall: 2722.99, 0.00311728/step, 3.57309 hours remaining, 233.941406 MB of memory in use. ENERGY: 873600 4088.1824 20532.0548 14500.9280 240.0649 -203421.6655 3055.5505 0.0000 0.0000 51795.3547 -109209.5302 297.6686 -161004.8849 -108846.4036 298.5924 -146.4785 -121.7684 764225.0993 -0.1985 -0.3825 PRESSURE: 873800 -424.516 -83.7421 79.0584 -83.7418 -366.274 298.637 79.0591 298.637 -22.6269 GPRESSURE: 873800 -345.585 -1.3253 44.6638 -45.7102 -286.483 248.435 -78.8492 238.104 -108.883 PRESSAVG: 873800 -24.0631 -19.2564 -17.8898 -19.2564 46.0016 0.969203 -17.8899 0.969212 -6.12784 GPRESSAVG: 873800 -22.6084 -18.3772 -20.0752 -19.3177 44.2091 0.20728 -17.4818 2.63456 -5.90109 TIMING: 873800 CPU: 2723.61, 0.00310185/step Wall: 2723.61, 0.00310185/step, 3.55524 hours remaining, 233.941406 MB of memory in use. ENERGY: 873800 4064.5889 20475.2064 14489.2112 243.9878 -202955.3864 2655.1451 0.0000 0.0000 51816.8756 -109210.3713 297.7923 -161027.2470 -108857.6944 298.4493 -271.1389 -246.9838 764778.0452 5.2702 5.2332 PRESSURE: 874000 -228.869 -256.28 63.6964 -256.28 83.0651 8.83325 63.6948 8.83216 255.081 GPRESSURE: 874000 -277.666 -241.62 65.5686 -249.416 143.451 0.0709368 150.258 -28.1525 296.373 PRESSAVG: 874000 -80.0714 -50.423 -9.55886 -50.4229 62.9426 56.7977 -9.55883 56.7977 -5.15299 GPRESSAVG: 874000 -80.5973 -49.3659 -6.83053 -51.197 62.5784 57.2453 -8.31675 56.835 -4.74581 TIMING: 874000 CPU: 2724.23, 0.00311099/step Wall: 2724.23, 0.00311099/step, 3.56554 hours remaining, 233.941406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 874000 3989.4613 20617.3283 14428.8380 240.3976 -203061.4801 2799.5498 0.0000 0.0000 51832.4434 -109153.4617 297.8818 -160985.9051 -108786.8070 298.7607 36.4259 54.0527 762724.1311 -7.4273 -7.5882 PRESSURE: 874200 -36.9211 3.15914 -50.0497 3.15935 -255.284 -18.4004 -50.0493 -18.3998 27.4953 GPRESSURE: 874200 -30.8314 32.5545 7.4521 -50.5337 -178.277 -78.1158 -83.1582 -116.833 27.3327 PRESSAVG: 874200 -43.8898 -73.1348 3.03185 -73.1347 21.5599 21.0364 3.03184 21.0364 6.90394 GPRESSAVG: 874200 -45.5451 -74.3176 2.78206 -73.6014 22.6071 21.7909 2.26517 21.4407 7.47376 TIMING: 874200 CPU: 2724.86, 0.00311864/step Wall: 2724.86, 0.00311864/step, 3.57414 hours remaining, 233.941406 MB of memory in use. ENERGY: 874200 4037.8754 20504.3044 14467.8135 227.7552 -203097.8249 2809.0799 0.0000 0.0000 51878.0033 -109172.9932 298.1436 -161050.9965 -108813.1458 298.7888 -88.2366 -60.5917 763084.8712 -5.1420 -5.1547 PRESSURE: 874400 32.6897 71.0736 -135.51 71.0741 -107.875 83.6789 -135.51 83.6787 -140.414 GPRESSURE: 874400 64.35 61.3009 -77.187 22.0495 -69.3992 137.018 -65.0829 -28.3108 -146.922 PRESSAVG: 874400 25.1179 5.98135 -15.3561 5.98133 -61.5443 36.1578 -15.3561 36.1577 12.1862 GPRESSAVG: 874400 26.1993 6.52785 -15.9258 5.9563 -62.6891 35.32 -17.0415 34.6786 11.6772 TIMING: 874400 CPU: 2725.48, 0.0031107/step Wall: 2725.48, 0.0031107/step, 3.56486 hours remaining, 233.941406 MB of memory in use. ENERGY: 874400 3993.9213 20509.4661 14435.6438 238.2347 -203390.7994 2726.9544 0.0000 0.0000 52162.1793 -109324.3998 299.7768 -161486.5791 -108951.6623 299.1640 -71.8664 -50.6571 762670.9333 -8.0801 -8.2709 PRESSURE: 874600 -369.106 -209.289 135.795 -209.29 -75.6264 -157.529 135.796 -157.53 -227.229 GPRESSURE: 874600 -252.998 -252.18 182.136 -186.868 4.35252 -252.695 121.522 -101.846 -327.959 PRESSAVG: 874600 28.4346 -36.2399 50.7906 -36.2398 44.9684 -16.2344 50.7906 -16.2344 24.7674 GPRESSAVG: 874600 28.9066 -36.22 49.0423 -34.4765 44.1928 -14.6721 53.7162 -15.183 25.9032 TIMING: 874600 CPU: 2726.1, 0.00311006/step Wall: 2726.1, 0.00311006/step, 3.56395 hours remaining, 233.941406 MB of memory in use. ENERGY: 874600 4034.8312 20539.7994 14496.9772 252.8440 -203369.5054 2826.5148 0.0000 0.0000 51900.0807 -109318.4582 298.2705 -161218.5388 -108950.6326 298.4610 -223.9873 -192.2013 764604.8137 32.7234 33.0009 PRESSURE: 874800 113.6 -143.095 175.818 -143.094 308.079 69.5803 175.817 69.5802 -497.506 GPRESSURE: 874800 183.162 -117.511 177.273 -53.7382 231.559 140.599 261.965 50.7095 -407.125 PRESSAVG: 874800 33.5709 -16.0411 61.9765 -16.0411 -16.0791 -12.9678 61.9765 -12.9678 -6.55397 GPRESSAVG: 874800 33.3099 -17.7885 64.2041 -16.5221 -14.9906 -12.7777 59.7705 -13.2763 -7.83798 TIMING: 874800 CPU: 2726.73, 0.00312448/step Wall: 2726.73, 0.00312448/step, 3.58031 hours remaining, 233.941406 MB of memory in use. ENERGY: 874800 3966.6043 20604.8886 14518.7112 243.9060 -203308.9362 2955.7659 0.0000 0.0000 51799.2827 -109219.7774 297.6912 -161019.0601 -108869.9812 298.3964 -25.2754 2.5318 763196.3175 3.6459 3.4938 PRESSURE: 875000 -67.9105 85.9442 89.0108 85.9434 20.5573 -284.439 89.0114 -284.439 -112.105 GPRESSURE: 875000 9.81966 31.7765 168.802 85.3197 54.7697 -245.976 61.588 -262.729 -149.593 PRESSAVG: 875000 -14.1911 -0.69581 10.7112 -0.695801 12.3588 -64.4022 10.7112 -64.4022 -6.09633 GPRESSAVG: 875000 -14.6199 2.424 11.8912 -1.8351 12.2001 -66.3924 9.6257 -64.1945 -5.73245 TIMING: 875000 CPU: 2727.35, 0.00310182/step Wall: 2727.35, 0.00310182/step, 3.55417 hours remaining, 233.941406 MB of memory in use. ENERGY: 875000 3969.5023 20387.9534 14554.6697 247.4324 -203634.1472 3191.1563 0.0000 0.0000 51980.9890 -109302.4440 298.7355 -161283.4330 -108949.8404 298.7534 -53.1529 -28.3345 763994.5167 -2.6429 -2.7174 PRESSURE: 875200 -160.796 30.3233 -17.5549 30.324 58.4401 168.524 -17.5544 168.523 19.1795 GPRESSURE: 875200 -94.1971 -29.0195 -47.1539 39.5206 33.7465 130.268 -52.9708 -7.10094 25.6517 PRESSAVG: 875200 30.672 17.2573 -8.32335 17.2573 -37.5081 -17.0719 -8.3234 -17.0718 -12.0723 GPRESSAVG: 875200 30.6478 15.6967 -11.6687 18.1619 -37.3731 -14.9664 -6.72349 -19.5476 -12.145 TIMING: 875200 CPU: 2727.97, 0.0031195/step Wall: 2727.97, 0.0031195/step, 3.57425 hours remaining, 233.941406 MB of memory in use. ENERGY: 875200 3991.0194 20400.8362 14429.0316 255.4170 -203308.7143 2984.9923 0.0000 0.0000 51912.6992 -109334.7186 298.3430 -161247.4178 -108975.0464 298.1306 -27.7255 -11.5996 764249.7973 -6.3028 -6.2901 PRESSURE: 875400 -330.482 -70.1692 39.3709 -70.1695 75.2747 -128.151 39.3711 -128.15 177.615 GPRESSURE: 875400 -183.232 -151.469 29.2412 -31.3291 90.0324 -124.713 28.6701 -35.7363 113.81 PRESSAVG: 875400 -13.0316 8.56281 -10.8079 8.56282 -12.2623 -28.7725 -10.8079 -28.7725 17.4289 GPRESSAVG: 875400 -12.3173 5.8684 -8.55359 8.53587 -12.1749 -28.3513 -12.1457 -28.1711 16.8789 TIMING: 875400 CPU: 2728.59, 0.00310937/step Wall: 2728.59, 0.00310937/step, 3.56248 hours remaining, 233.941406 MB of memory in use. ENERGY: 875400 4010.5366 20463.9818 14503.3872 227.9777 -203254.5619 2751.7528 0.0000 0.0000 52002.6841 -109294.2417 298.8601 -161296.9258 -108931.7790 298.3031 -25.8643 6.8702 765044.2617 -2.6217 -2.5378 PRESSURE: 875600 -422.583 -106.181 129.214 -106.179 -266.674 56.6084 129.215 56.6084 -207.417 GPRESSURE: 875600 -408.735 -157.893 243.132 -55.1731 -245.295 55.525 18.7833 6.08336 -167.146 PRESSAVG: 875600 -20.7301 24.1022 -16.2277 24.1022 41.7711 6.60619 -16.2278 6.60628 -37.8087 GPRESSAVG: 875600 -21.0026 26.9866 -17.8486 23.511 41.1237 4.7511 -15.4674 8.32753 -37.1206 TIMING: 875600 CPU: 2729.22, 0.00310575/step Wall: 2729.22, 0.00310575/step, 3.55815 hours remaining, 233.941406 MB of memory in use. ENERGY: 875600 4052.8678 20409.7308 14484.1476 250.1544 -203417.6744 2929.5067 0.0000 0.0000 52097.9438 -109193.3233 299.4076 -161291.2671 -108844.1530 298.8207 -298.8912 -273.7256 764239.5601 -5.5892 -5.6665 PRESSURE: 875800 249.61 147.364 24.1242 147.364 219.165 -77.2771 24.1241 -77.2774 4.18416 GPRESSURE: 875800 233.639 116.521 -36.4709 114.035 310.794 -148.442 138.014 -236.094 7.51997 PRESSAVG: 875800 -5.24379 27.9559 17.4385 27.9559 -9.45288 -23.9902 17.4386 -23.9903 37.8773 GPRESSAVG: 875800 -5.5959 26.2209 17.4456 29.8998 -9.08367 -24.03 19.6987 -24.556 37.386 TIMING: 875800 CPU: 2729.83, 0.00309964/step Wall: 2729.83, 0.00309964/step, 3.55098 hours remaining, 233.941406 MB of memory in use. ENERGY: 875800 3985.3128 20660.5809 14427.3574 246.6531 -203610.7515 3149.1903 0.0000 0.0000 52012.7990 -109128.8581 298.9183 -161141.6570 -108775.4839 298.8879 157.6532 183.9843 763218.3649 7.7269 7.5688 PRESSURE: 876000 326.184 -268.87 89.0113 -268.87 56.0402 -25.0741 89.0109 -25.0737 268.271 GPRESSURE: 876000 336.037 -185.164 105.184 -115.817 112.806 14.9006 46.3264 -36.0027 290.049 PRESSAVG: 876000 13.1744 11.5522 -2.13335 11.5521 -26.9325 -65.2411 -2.13334 -65.2411 17.6802 GPRESSAVG: 876000 12.5049 13.3536 -1.11414 10.5172 -25.6828 -63.3334 -5.57702 -65.842 16.899 TIMING: 876000 CPU: 2730.46, 0.00311227/step Wall: 2730.46, 0.00311227/step, 3.56528 hours remaining, 233.941406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 876000 3936.1038 20373.0492 14414.5836 266.7756 -202854.2487 2728.1594 0.0000 0.0000 52067.5967 -109067.9804 299.2332 -161135.5771 -108706.3341 299.1582 216.8319 246.2974 764622.0752 1.3073 1.2404 PRESSURE: 876200 -274.991 -37.4321 78.5719 -37.4316 -199.846 -238.694 78.572 -238.695 212.672 GPRESSURE: 876200 -254.075 27.1047 51.7491 -27.1942 -105.854 -202.301 107.562 -109.491 182.196 PRESSAVG: 876200 -10.4708 62.1857 -39.1853 62.1857 -8.12758 -18.6436 -39.1852 -18.6435 -38.2481 GPRESSAVG: 876200 -10.639 61.7071 -39.5045 61.1512 -10.0298 -18.0143 -38.0939 -20.5179 -35.9416 TIMING: 876200 CPU: 2731.08, 0.00311173/step Wall: 2731.08, 0.00311173/step, 3.56449 hours remaining, 233.941406 MB of memory in use. ENERGY: 876200 3959.1745 20508.4621 14540.5771 223.1060 -203168.7750 2886.6893 0.0000 0.0000 51967.4637 -109083.3022 298.6577 -161050.7659 -108720.5773 298.6803 -87.3884 -59.2444 764456.6156 -18.9488 -18.8702 LDB: ============= START OF LOAD BALANCING ============== 2743.56 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2743.56 LDB: =============== DONE WITH MIGRATION ================ 2743.56 LDB: ============= START OF LOAD BALANCING ============== 2743.87 LDB: Largest compute 6972 load 0.031923 is 16.4% of average load 0.195070 LDB: Average compute 0.004387 is 2.2% of average load 0.195070 LDB: TIME 2743.88 LOAD: AVG 0.19507 MAX 0.21598 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.766 MB LDB: TIME 2743.88 LOAD: AVG 0.19507 MAX 0.21598 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.766 MB LDB: TIME 2743.88 LOAD: AVG 0.19507 MAX 0.21598 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.766 MB LDB: ============== END OF LOAD BALANCING =============== 2743.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2743.88 PRESSURE: 876400 350.116 -139.241 -68.2915 -139.241 -267.029 -244.389 -68.2915 -244.389 129.151 GPRESSURE: 876400 383.802 -52.9261 -57.8141 -85.3016 -273.388 -242.105 -104.105 -289.427 168.211 PRESSAVG: 876400 -17.1342 9.82645 -11.3453 9.82641 4.83275 9.11671 -11.3453 9.11678 4.4877 GPRESSAVG: 876400 -16.7198 13.1626 -12.2327 10.8618 5.76604 7.62048 -12.0264 11.4958 3.3884 TIMING: 876400 CPU: 2731.72, 0.0031944/step Wall: 2731.72, 0.0031944/step, 3.65901 hours remaining, 236.566406 MB of memory in use. ENERGY: 876400 3915.4894 20514.0864 14531.9448 233.4536 -202957.4771 2958.9189 0.0000 0.0000 51652.5597 -109151.0243 296.8480 -160803.5840 -108801.7542 298.6538 70.7463 92.8750 765227.3767 -2.6046 -2.5218 PRESSURE: 876600 195.495 -38.7625 -20.3559 -38.7638 -247.375 -79.5524 -20.3575 -79.5514 149.718 GPRESSURE: 876600 170.586 -1.24531 -76.9158 -29.7812 -167.592 -17.6438 -78.9287 -92.3834 167.805 PRESSAVG: 876600 25.4747 13.9801 -70.3906 13.9801 -11.8927 -28.4264 -70.3906 -28.4264 -29.8679 GPRESSAVG: 876600 26.0293 11.1861 -69.8859 14.602 -11.614 -28.5002 -68.7845 -27.7663 -30.6261 TIMING: 876600 CPU: 2732.34, 0.00311516/step Wall: 2732.34, 0.00311516/step, 3.56807 hours remaining, 236.566406 MB of memory in use. ENERGY: 876600 3999.7516 20504.7689 14435.7759 242.3073 -203250.7378 2926.7130 0.0000 0.0000 52221.2106 -108920.2104 300.1160 -161141.4210 -108557.8753 298.4745 32.6126 56.9329 764965.5629 -5.4287 -5.4036 PRESSURE: 876800 -2.75153 97.6089 -150.137 97.6097 426.377 -92.0489 -150.136 -92.0492 -42.1242 GPRESSURE: 876800 49.483 72.6927 -180.841 15.1142 406.77 -137.979 -125.408 -119.776 -11.1634 PRESSAVG: 876800 -25.3616 24.9965 -39.9931 24.9965 8.69723 -25.9598 -39.9932 -25.9597 7.71586 GPRESSAVG: 876800 -25.658 24.7503 -40.3768 21.8527 7.97546 -23.7894 -41.3174 -29.3642 9.39382 TIMING: 876800 CPU: 2732.96, 0.00311466/step Wall: 2732.96, 0.00311466/step, 3.56732 hours remaining, 236.566406 MB of memory in use. ENERGY: 876800 3963.2435 20588.5506 14480.2334 245.5197 -203269.7120 3061.3085 0.0000 0.0000 51950.5190 -108980.3374 298.5603 -160930.8564 -108629.7263 299.0296 127.1670 148.3633 762403.1086 -2.9828 -2.7629 PRESSURE: 877000 68.3959 14.6301 33.4178 14.6296 134.953 -76.4511 33.4179 -76.4496 61.4468 GPRESSURE: 877000 142.013 11.4245 61.197 -35.5108 169.579 -19.2377 -31.8919 -149.339 28.2429 PRESSAVG: 877000 -53.285 3.68277 17.374 3.68274 3.3045 -33.7259 17.3741 -33.7258 3.46687 GPRESSAVG: 877000 -51.6767 4.92474 17.4619 6.02255 4.16656 -35.678 17.6041 -32.2945 1.26185 TIMING: 877000 CPU: 2733.59, 0.00311169/step Wall: 2733.59, 0.00311169/step, 3.56375 hours remaining, 236.566406 MB of memory in use. ENERGY: 877000 3901.0858 20522.2207 14385.9159 255.7328 -202901.4595 2869.8652 0.0000 0.0000 51951.7800 -109014.8591 298.5676 -160966.6391 -108655.5902 299.1549 88.2652 113.2784 763358.1645 -15.5045 -15.4161 PRESSURE: 877200 -65.6599 179.145 170.235 179.145 124.368 10.5999 170.236 10.5994 17.5276 GPRESSURE: 877200 -50.4881 188.893 79.0287 158.15 169.69 18.9734 269.272 -76.4999 55.0968 PRESSAVG: 877200 27.1796 -9.61264 22.811 -9.61265 -13.0129 -43.3173 22.8109 -43.3173 3.28293 GPRESSAVG: 877200 26.0024 -11.5275 22.7782 -8.45827 -14.3511 -41.7778 22.2187 -43.3892 5.48138 TIMING: 877200 CPU: 2734.21, 0.0031205/step Wall: 2734.21, 0.0031205/step, 3.57367 hours remaining, 236.566406 MB of memory in use. ENERGY: 877200 3979.3082 20540.4371 14450.1744 257.6106 -202881.5198 2623.3827 0.0000 0.0000 52065.9914 -108964.6153 299.2240 -161030.6068 -108610.1261 299.6930 25.4119 58.0997 763092.1920 5.8166 5.7109 PRESSURE: 877400 -51.542 27.9464 21.6861 27.9466 -66.1907 -39.9014 21.6875 -39.9009 195.099 GPRESSURE: 877400 20.9393 -51.5104 -30.4853 114.192 -77.5508 -27.0662 25.0929 -108.555 230.165 PRESSAVG: 877400 14.4462 20.0966 -10.2878 20.0965 -30.4333 1.01446 -10.2879 1.01442 -2.23792 GPRESSAVG: 877400 14.0056 19.6331 -9.09989 18.4979 -29.6404 0.226169 -10.7314 1.18403 -2.2715 TIMING: 877400 CPU: 2734.83, 0.00311502/step Wall: 2734.83, 0.00311502/step, 3.56722 hours remaining, 236.566406 MB of memory in use. ENERGY: 877400 3965.3972 20275.5882 14422.5490 228.9679 -202976.5627 2732.4750 0.0000 0.0000 52283.6534 -109067.9320 300.4749 -161351.5853 -108706.3007 299.0164 25.7888 57.8512 762774.0430 -6.0750 -5.9688 PRESSURE: 877600 -288.024 -285.61 127.108 -285.609 -193.708 113.615 127.109 113.614 -108.516 GPRESSURE: 877600 -149.076 -254.837 123.731 -289.414 -200.808 61.5894 -6.69441 74.8301 -127.442 PRESSAVG: 877600 41.5719 -22.0278 53.5877 -22.0278 -13.301 -84.9206 53.5878 -84.9207 -38.7136 GPRESSAVG: 877600 41.266 -20.7004 51.0948 -22.3564 -12.8756 -85.5424 53.4393 -84.0995 -38.463 TIMING: 877600 CPU: 2735.46, 0.00311854/step Wall: 2735.46, 0.00311854/step, 3.57107 hours remaining, 236.566406 MB of memory in use. ENERGY: 877600 3963.7462 20377.6638 14417.0393 252.4062 -202621.5783 2523.7094 0.0000 0.0000 52089.6512 -108997.3622 299.3599 -161087.0134 -108633.2443 299.5865 -196.7494 -159.1086 764297.7453 -3.4809 -3.3575 PRESSURE: 877800 -225.418 -61.0987 101.335 -61.0986 129.724 142.494 101.335 142.493 -123.886 GPRESSURE: 877800 -140.453 -24.7883 216.399 -55.7407 59.5602 143.062 -41.5929 37.6111 -52.7954 PRESSAVG: 877800 11.675 -22.0241 13.5384 -22.0241 1.80414 -48.3707 13.5385 -48.3707 15.9672 GPRESSAVG: 877800 13.1444 -22.3211 14.3372 -20.5891 0.331982 -48.0292 12.997 -50.6664 15.7088 TIMING: 877800 CPU: 2736.08, 0.00310856/step Wall: 2736.08, 0.00310856/step, 3.55947 hours remaining, 236.566406 MB of memory in use. ENERGY: 877800 3969.9054 20364.9636 14388.8309 249.3870 -203090.3819 2989.2915 0.0000 0.0000 52032.7132 -109095.2904 299.0327 -161128.0036 -108725.3451 299.0755 -73.1933 -44.5627 762911.4708 9.8154 9.7284 PRESSURE: 878000 424.995 -60.4798 46.6735 -60.481 325.126 -9.16223 46.6739 -9.16256 -28.9435 GPRESSURE: 878000 458.673 -53.5819 21.183 14.3986 263.736 51.1202 150.299 -34.2635 68.2383 PRESSAVG: 878000 -7.25888 -54.7029 3.90463 -54.7029 23.8603 -137.078 3.90464 -137.078 -5.63281 GPRESSAVG: 878000 -5.82118 -54.9082 3.93954 -55.1561 23.9966 -139.628 5.46172 -134.025 -7.6131 TIMING: 878000 CPU: 2736.7, 0.00312251/step Wall: 2736.7, 0.00312251/step, 3.57527 hours remaining, 236.566406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 878000 3931.6362 20329.3762 14500.2583 262.0216 -203832.5824 3337.9372 0.0000 0.0000 52263.4906 -109207.8623 300.3590 -161471.3529 -108831.9934 299.4191 240.3924 263.5489 762387.8862 3.6562 3.5208 PRESSURE: 878200 -19.9644 54.4489 -32.0066 54.4492 365.443 -29.8488 -32.007 -29.8488 59.0688 GPRESSURE: 878200 36.4088 52.6693 3.08637 -94.7633 292.53 -72.037 8.85579 40.7142 134.519 PRESSAVG: 878200 -0.368901 7.81128 2.21666 7.81125 22.1787 -38.233 2.21671 -38.233 -19.4902 GPRESSAVG: 878200 -2.7085 8.69486 2.74025 6.38658 22.709 -37.025 2.26384 -39.4544 -17.7728 TIMING: 878200 CPU: 2737.33, 0.00311137/step Wall: 2737.33, 0.00311137/step, 3.56235 hours remaining, 236.566406 MB of memory in use. ENERGY: 878200 3957.6193 20521.4196 14484.8683 265.3178 -203523.3302 3216.7438 0.0000 0.0000 51898.5194 -109178.8420 298.2615 -161077.3614 -108819.0850 298.7529 134.8490 154.4859 763214.0044 0.7732 0.7426 PRESSURE: 878400 215.422 119.567 -31.6081 119.568 -308.382 -25.2353 -31.6072 -25.2359 38.5002 GPRESSURE: 878400 143.446 151.16 22.7368 272.78 -112.223 26.4849 -97.4831 -73.5055 14.59 PRESSAVG: 878400 -20.4199 61.8532 -8.24288 61.8531 -23.6068 -22.9629 -8.24288 -22.9629 -9.03324 GPRESSAVG: 878400 -19.9799 60.3235 -7.28687 63.1918 -23.2782 -22.0782 -9.34711 -23.1719 -9.63539 TIMING: 878400 CPU: 2737.95, 0.00311661/step Wall: 2737.95, 0.00311661/step, 3.56817 hours remaining, 236.566406 MB of memory in use. ENERGY: 878400 4011.4984 20470.1746 14462.4990 246.8756 -203337.1150 3066.9985 0.0000 0.0000 51992.1853 -109086.8836 298.7998 -161079.0689 -108735.5961 298.8276 -18.1532 15.2712 763851.3040 -17.6867 -17.6312 PRESSURE: 878600 -190.584 -99.8856 244.907 -99.886 -339.153 125.329 244.907 125.329 -37.3919 GPRESSURE: 878600 -129.385 -43.3706 216.512 -12.3426 -292.625 159.775 268.72 12.9062 -45.9288 PRESSAVG: 878600 -40.0696 37.7896 7.31329 37.7896 -3.6366 -41.8651 7.31334 -41.8651 16.7465 GPRESSAVG: 878600 -39.306 37.6448 4.33161 39.0254 -3.89631 -41.5154 8.91526 -41.0911 16.1798 TIMING: 878600 CPU: 2738.57, 0.00311117/step Wall: 2738.57, 0.00311117/step, 3.56177 hours remaining, 236.566406 MB of memory in use. ENERGY: 878600 4005.0768 20475.7900 14473.1452 236.5684 -203262.8106 3036.7824 0.0000 0.0000 51864.4964 -109170.9513 298.0660 -161035.4477 -108807.7904 298.7434 -189.0430 -155.9796 764160.4365 -8.9866 -9.0075 PRESSURE: 878800 53.2119 -207.167 90.3949 -207.167 -171.728 76.2559 90.3956 76.2557 -90.9818 GPRESSURE: 878800 3.94027 -124.881 73.7769 -177.65 -87.7926 44.0694 -30.7485 28.5175 -57.7642 PRESSAVG: 878800 46.3512 3.70587 17.3418 3.70585 -53.5727 -3.1045 17.3418 -3.1045 8.57562 GPRESSAVG: 878800 45.005 4.00019 18.2789 2.76794 -53.4201 -3.8742 16.6661 -5.48003 8.98918 TIMING: 878800 CPU: 2739.19, 0.00309203/step Wall: 2739.19, 0.00309203/step, 3.53969 hours remaining, 236.566406 MB of memory in use. ENERGY: 878800 4018.5579 20503.1964 14441.8961 245.9236 -203167.8739 2856.8504 0.0000 0.0000 52237.1447 -108864.3048 300.2076 -161101.4495 -108495.7344 299.4441 -69.8325 -47.2055 762395.2077 0.4514 0.1914 PRESSURE: 879000 -102.568 65.7632 22.6153 65.7634 -19.2933 105.13 22.6154 105.131 20.0086 GPRESSURE: 879000 -84.8366 -4.11137 -32.609 67.0554 7.40103 94.9213 6.92423 131.572 43.4964 PRESSAVG: 879000 61.0267 -16.6592 -1.60098 -16.6592 -70.1991 -42.0614 -1.60099 -42.0614 6.79282 GPRESSAVG: 879000 60.3498 -15.9059 -0.580561 -15.8714 -71.0325 -39.438 -2.98686 -42.3804 8.25257 TIMING: 879000 CPU: 2739.81, 0.00309597/step Wall: 2739.81, 0.00309597/step, 3.54403 hours remaining, 236.566406 MB of memory in use. ENERGY: 879000 3959.7119 20752.8200 14455.7032 244.4703 -202899.9390 2834.7892 0.0000 0.0000 51960.3794 -108692.0650 298.6170 -160652.4445 -108348.0503 299.5780 -33.9509 -11.3131 763344.0833 -0.7932 -0.8100 PRESSURE: 879200 -68.2051 -2.96855 -107.25 -2.96913 -155.014 44.6708 -107.251 44.6699 -163.212 GPRESSURE: 879200 -35.802 -8.4378 44.6701 113.804 -122.927 -33.7781 -133.829 47.8302 -122.417 PRESSAVG: 879200 47.1114 59.1497 -35.9915 59.1497 -80.3092 -29.6598 -35.9915 -29.6599 23.4523 GPRESSAVG: 879200 48.8615 60.2281 -35.7833 57.3918 -80.7178 -32.4058 -34.855 -28.84 21.8074 TIMING: 879200 CPU: 2740.44, 0.00313286/step Wall: 2740.44, 0.00313286/step, 3.58608 hours remaining, 236.566406 MB of memory in use. ENERGY: 879200 3967.6641 20525.1302 14505.1584 243.4810 -203165.5086 2955.4394 0.0000 0.0000 52145.2042 -108823.4312 299.6792 -160968.6353 -108455.3508 299.7751 -128.8103 -93.7152 763243.1256 -3.2485 -3.3497 PRESSURE: 879400 -10.5827 -128.307 -101.235 -128.307 23.213 3.04791 -101.234 3.04703 65.1788 GPRESSURE: 879400 66.394 -73.4882 -98.3081 -51.6364 -21.3054 -21.546 3.64665 47.0181 121.51 PRESSAVG: 879400 18.9079 26.6535 -1.90629 26.6535 -0.445121 -43.3807 -1.90629 -43.3807 2.62511 GPRESSAVG: 879400 18.2214 25.0305 -2.32332 27.3708 -0.190571 -41.208 -2.02563 -42.7467 3.81233 TIMING: 879400 CPU: 2741.06, 0.00312728/step Wall: 2741.06, 0.00312728/step, 3.57951 hours remaining, 236.566406 MB of memory in use. ENERGY: 879400 3965.5482 20487.5862 14473.5048 239.3174 -203157.9652 2944.8969 0.0000 0.0000 52152.1895 -108894.9222 299.7193 -161047.1117 -108535.7125 299.2727 25.9364 55.5327 763249.6288 7.0293 7.2811 PRESSURE: 879600 490.886 -88.2595 -166.145 -88.2601 123.715 22.3542 -166.144 22.3529 849.576 GPRESSURE: 879600 549.957 -149.056 -263.563 -50.698 130.762 61.1447 -307.979 -200.268 874.399 PRESSAVG: 879600 6.79683 -5.19931 8.10653 -5.19937 -30.4279 -23.0683 8.10653 -23.0683 5.25579 GPRESSAVG: 879600 6.97979 -4.02439 6.43663 -5.38683 -30.2919 -23.2753 5.78496 -22.7528 5.18802 TIMING: 879600 CPU: 2741.68, 0.00311043/step Wall: 2741.68, 0.00311043/step, 3.56006 hours remaining, 236.566406 MB of memory in use. ENERGY: 879600 3876.5786 20450.9845 14460.1375 253.2053 -203227.5037 3150.9863 0.0000 0.0000 52066.1554 -108969.4562 299.2249 -161035.6116 -108605.6150 299.3466 488.0590 518.3725 762139.7836 -6.1251 -6.0414 PRESSURE: 879800 -179.898 -99.5717 135.255 -99.572 -225.7 -98.2742 135.255 -98.2741 2.77917 GPRESSURE: 879800 -95.6588 -37.1659 156.055 -180.592 -216.846 -56.6907 15.0978 -132.741 -28.91 PRESSAVG: 879800 53.9608 -12.6502 20.7317 -12.6502 -65.9453 -11.9882 20.7317 -11.9883 -24.628 GPRESSAVG: 879800 53.8648 -14.3212 20.7492 -11.94 -66.3236 -10.1961 22.0786 -10.5372 -24.2457 TIMING: 879800 CPU: 2742.31, 0.00311307/step Wall: 2742.31, 0.00311307/step, 3.56291 hours remaining, 236.566406 MB of memory in use. ENERGY: 879800 4029.4871 20434.5466 14506.5642 230.4482 -203284.9512 2998.7710 0.0000 0.0000 51936.1920 -109148.9422 298.4780 -161085.1341 -108780.5082 299.0519 -134.2731 -113.8049 764033.8657 -12.2041 -12.2348 PRESSURE: 880000 137.958 31.1825 -11.9093 31.1827 -142.862 -215.191 -11.9095 -215.191 33.3458 GPRESSURE: 880000 111.143 28.9946 -30.1975 150.546 -172.005 -200.763 17.4883 -159.934 150.087 PRESSAVG: 880000 2.36982 0.588355 -23.6519 0.588405 5.24878 -30.3776 -23.6519 -30.3775 -15.9488 GPRESSAVG: 880000 1.71531 -0.0208448 -23.7867 0.334238 6.76729 -32.5889 -23.4586 -31.238 -16.9908 TIMING: 880000 CPU: 2742.93, 0.00309789/step Wall: 2742.93, 0.00309789/step, 3.54537 hours remaining, 236.566406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 880000 4004.8842 20577.6590 14404.2367 252.1055 -202824.4951 2733.3454 0.0000 0.0000 51924.3817 -108927.8826 298.4101 -160852.2643 -108563.7772 298.7199 9.4806 29.7416 763268.5487 -2.7767 -2.8361 PRESSURE: 880200 242.064 -8.20299 -12.8406 -8.20299 32.6814 -75.6638 -12.8411 -75.6646 -83.4849 GPRESSURE: 880200 293.136 -85.3133 -86.3166 107.27 86.9537 -69.9945 -56.8551 14.2786 -95.8043 PRESSAVG: 880200 25.5307 35.6886 -21.5494 35.6886 -45.5686 -18.6203 -21.5495 -18.6204 -3.20388 GPRESSAVG: 880200 27.7453 37.5775 -22.1137 35.7504 -46.1099 -17.8937 -22.7096 -17.9108 -4.46386 TIMING: 880200 CPU: 2743.54, 0.00308799/step Wall: 2743.54, 0.00308799/step, 3.53386 hours remaining, 236.566406 MB of memory in use. ENERGY: 880200 3945.2934 20439.8218 14479.7078 254.3669 -203014.0650 2596.2477 0.0000 0.0000 52304.5395 -108994.0879 300.5949 -161298.6274 -108630.1704 298.9307 63.7536 94.7618 762670.6346 -7.7472 -7.6095 LDB: ============= START OF LOAD BALANCING ============== 2756.02 LDB: ============== END OF LOAD BALANCING =============== 2756.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2756.02 LDB: ============= START OF LOAD BALANCING ============== 2756.34 LDB: Largest compute 6972 load 0.031475 is 16.1% of average load 0.195055 LDB: Average compute 0.004371 is 2.2% of average load 0.195055 LDB: TIME 2756.34 LOAD: AVG 0.195055 MAX 0.21581 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.23 MB LDB: TIME 2756.34 LOAD: AVG 0.195055 MAX 0.21581 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.23 MB LDB: TIME 2756.34 LOAD: AVG 0.195055 MAX 0.21581 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.23 MB LDB: ============== END OF LOAD BALANCING =============== 2756.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2756.35 PRESSURE: 880400 -64.0261 68.3632 -95.2007 68.3628 -217.284 98.1327 -95.201 98.1332 -159.067 GPRESSURE: 880400 -30.2194 142.869 22.1425 92.5924 -136.883 13.8334 -138.656 109.966 -170.193 PRESSAVG: 880400 9.15072 63.1799 19.0214 63.1798 1.06335 -11.6568 19.0214 -11.6567 0.72997 GPRESSAVG: 880400 7.14865 61.64 21.8238 62.9487 1.50704 -11.9185 19.2583 -12.2822 2.20214 TIMING: 880400 CPU: 2744.18, 0.00318362/step Wall: 2744.18, 0.00318362/step, 3.64313 hours remaining, 234.308594 MB of memory in use. ENERGY: 880400 4010.0024 20375.8603 14453.9809 231.7874 -202561.2163 2593.5636 0.0000 0.0000 52114.6107 -108781.4108 299.5034 -160896.0215 -108429.4357 299.5424 -146.7921 -112.4321 765226.7205 3.6480 3.6193 PRESSURE: 880600 4.05723 -76.5559 352.853 -76.5561 312.465 206.813 352.853 206.815 202.318 GPRESSURE: 880600 72.5326 -50.2128 387.996 -15.5659 302.037 105.291 401.568 260.839 235.307 PRESSAVG: 880600 41.4836 10.7694 39.3424 10.7694 1.37466 29.2519 39.3424 29.2519 24.9352 GPRESSAVG: 880600 42.7309 13.0224 37.093 11.5883 -0.112761 28.2028 39.2781 27.9843 24.9708 TIMING: 880600 CPU: 2744.8, 0.00311558/step Wall: 2744.8, 0.00311558/step, 3.56508 hours remaining, 234.511719 MB of memory in use. ENERGY: 880600 3925.9742 20497.0217 14469.1417 231.9238 -202743.8503 2753.6795 0.0000 0.0000 52009.0412 -108857.0682 298.8967 -160866.1094 -108490.1123 299.2705 172.9467 203.2921 764035.2660 22.5978 22.5296 PRESSURE: 880800 -46.7415 -250.821 65.6592 -250.821 -35.0792 -245.393 65.6593 -245.393 64.5634 GPRESSURE: 880800 -19.3931 -206.926 27.0946 -105.604 -40.9327 -96.2522 119.667 -148.871 131.572 PRESSAVG: 880800 -8.64045 -14.4886 46.7287 -14.4887 21.1876 -60.1331 46.7286 -60.1331 -7.0218 GPRESSAVG: 880800 -9.78538 -16.945 48.6198 -13.9445 22.8239 -59.3887 46.5321 -56.8072 -7.42003 TIMING: 880800 CPU: 2745.43, 0.00311636/step Wall: 2745.43, 0.00311636/step, 3.56581 hours remaining, 234.511719 MB of memory in use. ENERGY: 880800 4034.1355 20411.7788 14477.6338 247.1500 -203001.7517 3003.2775 0.0000 0.0000 52143.6132 -108684.1629 299.6701 -160827.7761 -108324.3064 299.7072 -5.7524 23.7488 764203.7955 1.8418 1.8728 PRESSURE: 881000 -168.729 32.4002 -136.977 32.4 -32.6607 -62.9436 -136.976 -62.9437 -269.466 GPRESSURE: 881000 -105.232 64.0042 -265.618 25.5029 -124.34 -79.5466 -72.8977 -86.4664 -159.725 PRESSAVG: 881000 47.8751 -14.6912 10.5981 -14.6912 -49.0296 -16.8243 10.5981 -16.8242 -7.81019 GPRESSAVG: 881000 45.7051 -11.6802 10.9224 -16.9081 -47.5103 -15.3611 10.4509 -19.1715 -7.08057 TIMING: 881000 CPU: 2746.05, 0.00310471/step Wall: 2746.05, 0.00310471/step, 3.5523 hours remaining, 234.511719 MB of memory in use. ENERGY: 881000 4059.8147 20485.4960 14455.2457 247.7312 -202645.4022 2656.4802 0.0000 0.0000 52096.2227 -108644.4117 299.3977 -160740.6345 -108279.9911 299.6725 -156.9521 -129.7655 764243.9578 -2.9882 -2.9619 PRESSURE: 881200 8.09719 -40.5462 166.837 -40.5461 -360.671 -364.578 166.837 -364.577 213.51 GPRESSURE: 881200 -1.29184 -81.5138 201.195 -162.023 -251.155 -288.649 243.905 -416.942 185.111 PRESSAVG: 881200 -2.21475 61.7849 18.9781 61.7849 -7.08248 4.38842 18.9781 4.38848 1.08895 GPRESSAVG: 881200 -0.87956 60.3491 17.9992 62.4409 -7.71817 2.7325 19.2314 3.98402 0.702222 TIMING: 881200 CPU: 2746.67, 0.00310748/step Wall: 2746.67, 0.00310748/step, 3.5553 hours remaining, 234.511719 MB of memory in use. ENERGY: 881200 4008.8058 20446.4594 14438.4363 258.7877 -202831.4009 2855.4451 0.0000 0.0000 52288.2299 -108535.2367 300.5012 -160823.4666 -108171.5552 299.8492 -46.3548 -22.4454 765790.8134 -2.7361 -2.6318 PRESSURE: 881400 -216.134 -316.687 108.025 -316.687 161.31 111.821 108.024 111.821 -62.0268 GPRESSURE: 881400 -196.62 -146.926 82.5183 -263.612 127.657 164.913 124 156.927 26.9155 PRESSAVG: 881400 -1.09408 -39.0379 16.0928 -39.0379 9.29774 -10.0263 16.0928 -10.0262 -8.16468 GPRESSAVG: 881400 0.862419 -40.6812 17.9629 -38.3809 7.69146 -9.56045 15.0513 -8.83318 -8.92256 TIMING: 881400 CPU: 2747.29, 0.00311106/step Wall: 2747.29, 0.00311106/step, 3.55923 hours remaining, 234.511719 MB of memory in use. ENERGY: 881400 3879.7473 20404.7460 14390.5655 258.3377 -202755.5179 2917.8472 0.0000 0.0000 52198.5623 -108705.7118 299.9859 -160904.2741 -108342.4366 299.4402 -38.9503 -14.0160 766269.7137 0.0130 -0.1229 PRESSURE: 881600 172.431 -115.331 101.114 -115.33 -55.4908 94.5469 101.114 94.547 -155.175 GPRESSURE: 881600 213.266 -171.683 158.011 -21.1266 -75.2433 136.827 110.256 -1.24248 -98.3458 PRESSAVG: 881600 27.6585 -51.8758 26.3889 -51.8758 -13.5995 -2.15513 26.389 -2.15503 -4.34451 GPRESSAVG: 881600 26.002 -50.929 24.6315 -53.5455 -11.9514 -0.759019 25.8532 -2.6095 -4.18539 TIMING: 881600 CPU: 2747.91, 0.00311311/step Wall: 2747.91, 0.00311311/step, 3.5614 hours remaining, 234.511719 MB of memory in use. ENERGY: 881600 4017.8917 20469.1019 14448.4957 255.8000 -203247.7142 2932.4953 0.0000 0.0000 52327.0973 -108796.8324 300.7245 -161123.9297 -108425.8707 299.5492 -12.7450 13.2256 765045.1146 3.2382 3.2884 PRESSURE: 881800 62.0914 -102.936 -356.14 -102.935 -229.487 135.209 -356.14 135.209 20.5794 GPRESSURE: 881800 94.2811 -95.279 -283.598 -99.6241 -88.54 104.404 -336.731 78.1008 -58.1083 PRESSAVG: 881800 -2.9311 -7.54327 0.122785 -7.54323 -34.1207 -10.9297 0.122718 -10.9296 4.16413 GPRESSAVG: 881800 -2.72634 -6.75089 1.07607 -5.85787 -33.8799 -12.7463 0.696831 -11.549 3.91147 TIMING: 881800 CPU: 2748.54, 0.00310686/step Wall: 2748.54, 0.00310685/step, 3.55407 hours remaining, 234.511719 MB of memory in use. ENERGY: 881800 4000.0012 20627.5044 14489.2161 243.9033 -202799.5469 2938.1503 0.0000 0.0000 51850.4552 -108650.3164 297.9853 -160500.7716 -108304.0578 299.5421 -48.9388 -17.4557 766984.1314 -10.9625 -10.8982 PRESSURE: 882000 215.486 -44.7854 -34.3433 -44.7844 157.623 -122.578 -34.3441 -122.578 -92.1583 GPRESSURE: 882000 267.346 -12.7504 15.0056 -76.4015 173.607 -12.5837 -72.6248 -40.4364 -71.6666 PRESSAVG: 882000 19.2951 6.0455 1.18533 6.04551 -7.09137 -36.0485 1.1853 -36.0486 16.8698 GPRESSAVG: 882000 18.3732 6.33464 0.796423 6.20476 -6.9996 -34.7739 1.81789 -36.3522 17.6346 TIMING: 882000 CPU: 2749.16, 0.0031274/step Wall: 2749.16, 0.0031274/step, 3.5774 hours remaining, 234.511719 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: 882000 3937.7652 20406.3215 14471.0059 246.1439 -202649.9416 2871.0266 0.0000 0.0000 52037.1285 -108680.5501 299.0581 -160717.6786 -108306.1270 299.2846 93.6502 123.0954 766209.7624 9.6912 9.6694 PRESSURE: 882200 -316.966 174.356 -121.357 174.356 -199.54 94.6436 -121.357 94.6444 -39.7703 GPRESSURE: 882200 -218.391 187.569 -87.1132 132.159 -215.354 139.721 5.68852 180.212 -23.623 PRESSAVG: 882200 35.0255 -29.8476 7.67683 -29.8476 -40.7591 -22.6497 7.67679 -22.6496 -11.7425 GPRESSAVG: 882200 36.386 -30.5964 7.39022 -31.5546 -42.3014 -22.9775 9.4321 -22.7912 -11.5009 TIMING: 882200 CPU: 2749.78, 0.00310839/step Wall: 2749.78, 0.00310839/step, 3.55548 hours remaining, 234.511719 MB of memory in use. ENERGY: 882200 4062.7663 20630.0006 14471.8408 235.1161 -202586.7598 2417.0352 0.0000 0.0000 52165.2167 -108604.7841 299.7942 -160770.0008 -108256.3066 299.5991 -185.4255 -152.4560 765082.5946 -5.8253 -5.8054 PRESSURE: 882400 -219.078 33.5182 152.303 33.5184 -228.271 -18.8183 152.303 -18.8191 56.4464 GPRESSURE: 882400 -204.27 18.7797 201.508 25.2975 -192.818 -74.3732 74.2849 -62.5621 103.943 PRESSAVG: 882400 20.0906 -9.76095 12.3282 -9.76098 -25.4141 -52.534 12.3282 -52.534 5.31803 GPRESSAVG: 882400 20.5505 -9.86682 12.5137 -6.12129 -24.0356 -51.8406 10.201 -51.6932 4.54133 TIMING: 882400 CPU: 2750.4, 0.00311279/step Wall: 2750.4, 0.00311279/step, 3.56034 hours remaining, 234.511719 MB of memory in use. ENERGY: 882400 3980.3573 20561.2539 14554.2302 244.6804 -202989.9559 2871.0647 0.0000 0.0000 52139.2269 -108639.1424 299.6449 -160778.3693 -108274.2722 299.6971 -130.3007 -97.7150 764709.5091 -0.0018 0.3521 PRESSURE: 882600 -323.345 -71.437 121.271 -71.4364 -207.602 -87.1051 121.271 -87.105 83.2575 GPRESSURE: 882600 -288.211 -52.3921 105.07 -90.3831 -230.578 -103.242 70.334 8.48345 144.139 PRESSAVG: 882600 8.61373 19.2029 -38.8765 19.2029 3.20578 46.5743 -38.8765 46.5743 19.5929 GPRESSAVG: 882600 8.53903 18.7166 -39.4524 16.3304 2.15659 45.1398 -36.3252 45.72 20.1287 TIMING: 882600 CPU: 2751.02, 0.00309589/step Wall: 2751.02, 0.00309589/step, 3.54083 hours remaining, 234.511719 MB of memory in use. ENERGY: 882600 4051.0975 20511.6790 14517.8722 256.9068 -202704.1590 2657.2145 0.0000 0.0000 52101.2313 -108608.1576 299.4265 -160709.3890 -108248.6402 299.5734 -149.2301 -124.8833 763182.2503 10.4708 10.2748 PRESSURE: 882800 -16.1926 71.6217 105.902 71.6215 321.083 55.2544 105.903 55.2548 511.443 GPRESSURE: 882800 78.4126 148.722 26.4294 166.452 291.005 86.3408 162.089 101.252 531.611 PRESSAVG: 882800 -12.9172 -3.63228 -15.6844 -3.63238 12.6385 31.9981 -15.6844 31.9981 1.31216 GPRESSAVG: 882800 -14.4828 -3.62935 -15.9165 -1.97801 14.8384 32.7472 -15.6315 31.845 0.795737 TIMING: 882800 CPU: 2751.65, 0.00311505/step Wall: 2751.65, 0.00311505/step, 3.56258 hours remaining, 234.511719 MB of memory in use. ENERGY: 882800 3972.8540 20558.1827 14426.5729 244.8344 -203206.3005 3044.4617 0.0000 0.0000 52300.5237 -108658.8712 300.5718 -160959.3949 -108298.0986 300.1098 272.1114 300.3428 761806.3539 0.3445 0.3838 PRESSURE: 883000 -1.15721 60.8949 262.522 60.895 0.672878 -100.957 262.522 -100.956 -68.2293 GPRESSURE: 883000 74.3722 31.7475 293.218 140.903 21.9838 -80.9878 121.538 -71.0678 -67.4479 PRESSAVG: 883000 44.4218 41.1292 -1.94403 41.1292 -45.0576 50.1243 -1.94405 50.1243 -19.6616 GPRESSAVG: 883000 45.8001 43.1565 -1.09927 41.3198 -47.103 49.6579 -3.05409 50.694 -19.0213 TIMING: 883000 CPU: 2752.27, 0.00310402/step Wall: 2752.27, 0.00310402/step, 3.54979 hours remaining, 234.511719 MB of memory in use. ENERGY: 883000 3944.3778 20405.6861 14544.0230 244.8882 -203370.0741 3265.6988 0.0000 0.0000 52232.0162 -108733.3840 300.1781 -160965.4003 -108369.5580 300.1452 -22.9045 9.6360 764541.8238 -6.7658 -6.7747 PRESSURE: 883200 -87.6944 190.845 21.5533 190.845 -218.983 -164.883 21.5538 -164.883 -87.5142 GPRESSURE: 883200 -51.4686 93.6678 -74.2573 54.1429 -146.092 -100.311 70.5188 -174.773 -137.431 PRESSAVG: 883200 -22.9946 29.1847 42.2472 29.1847 10.9564 10.6255 42.2472 10.6256 21.5749 GPRESSAVG: 883200 -22.693 25.4128 42.7225 29.5146 11.1243 10.249 42.7296 11.4953 20.901 TIMING: 883200 CPU: 2752.89, 0.00310628/step Wall: 2752.89, 0.00310628/step, 3.55221 hours remaining, 234.511719 MB of memory in use. ENERGY: 883200 3993.9819 20425.3175 14586.7431 258.4972 -202569.2303 2633.7431 0.0000 0.0000 51910.3127 -108760.6348 298.3293 -160670.9475 -108397.9245 299.5770 -131.3971 -111.6637 765867.4822 3.1789 3.1108 PRESSURE: 883400 358.657 390.384 -194.225 390.385 -166.447 -91.3189 -194.226 -91.3189 -184.108 GPRESSURE: 883400 392.762 345.855 -195.257 417.303 -116.741 -19.005 -283.583 -35.5254 -186.495 PRESSAVG: 883400 13.9383 12.0438 -15.9816 12.0438 -3.69412 18.7195 -15.9816 18.7195 -14.3481 GPRESSAVG: 883400 14.2232 13.4881 -16.9109 12.085 -3.31221 19.0878 -16.6394 18.7302 -15.1033 TIMING: 883400 CPU: 2753.51, 0.00309878/step Wall: 2753.51, 0.00309878/step, 3.54346 hours remaining, 234.511719 MB of memory in use. ENERGY: 883400 3940.1498 20339.4406 14516.5895 274.5867 -203502.4803 3245.8482 0.0000 0.0000 52098.0625 -109087.8031 299.4083 -161185.8656 -108719.6097 299.2163 2.7006 29.8419 764452.9943 -1.3679 -1.3974 PRESSURE: 883600 -15.9559 110.41 123.864 110.41 -205.412 85.9293 123.864 85.9284 205.334 GPRESSURE: 883600 -29.0021 108.268 183.898 97.2871 -118.627 45.0307 192.486 144.057 211.815 PRESSAVG: 883600 8.87246 -14.3621 -20.7228 -14.3621 -24.8994 45.4858 -20.7228 45.4858 7.3958 GPRESSAVG: 883600 9.40676 -13.8443 -19.5578 -13.5139 -25.2571 44.5518 -20.7273 46.5837 7.49946 TIMING: 883600 CPU: 2754.13, 0.00310178/step Wall: 2754.13, 0.00310178/step, 3.54671 hours remaining, 234.511719 MB of memory in use. ENERGY: 883600 4003.2614 20528.5240 14451.0118 250.6423 -202846.1098 2675.2307 0.0000 0.0000 51946.7071 -108990.7326 298.5384 -160937.4397 -108646.0715 298.7810 -5.3447 21.3953 764469.2234 -2.8771 -2.7836 PRESSURE: 883800 -173.054 -232.086 -270.915 -232.086 -425.951 47.6542 -270.915 47.6544 7.93363 GPRESSURE: 883800 -163.874 -269.172 -221.267 -125.951 -299.133 55.4412 -234.48 -76.9245 -31.1414 PRESSAVG: 883800 29.4744 18.1387 -26.6966 18.1386 -55.9944 59.7668 -26.6966 59.7669 0.551052 GPRESSAVG: 883800 30.3146 18.5973 -27.9929 16.4826 -56.8136 59.2406 -26.1779 57.7259 -0.0874619 TIMING: 883800 CPU: 2754.75, 0.00311832/step Wall: 2754.75, 0.00311832/step, 3.56545 hours remaining, 234.511719 MB of memory in use. ENERGY: 883800 4059.1053 20410.0630 14417.8752 234.2561 -202583.6740 2571.4744 0.0000 0.0000 52024.0667 -108866.8334 298.9830 -160890.9001 -108507.0248 299.2179 -197.0239 -164.7159 765196.1476 -8.6563 -8.8622 PRESSURE: 884000 -94.7114 304.141 136.928 304.141 -336.441 55.0496 136.927 55.05 -266.434 GPRESSURE: 884000 -88.4762 293.951 79.5899 299.876 -359.367 62.9267 216.713 66.1554 -167.218 PRESSAVG: 884000 24.3223 -13.2144 -20.6478 -13.2144 -25.7384 25.3025 -20.6478 25.3026 2.07347 GPRESSAVG: 884000 22.7916 -13.2056 -20.5001 -14.1254 -25.7379 27.4462 -19.5991 23.6341 3.57163 TIMING: 884000 CPU: 2755.38, 0.00312296/step Wall: 2755.38, 0.00312296/step, 3.57058 hours remaining, 234.511719 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: 884000 4022.8057 20399.3098 14477.1212 223.9161 -202834.3486 2704.6188 0.0000 0.0000 52154.5816 -108851.9954 299.7331 -161006.5771 -108489.0981 299.0814 -232.5288 -205.0205 764726.4467 0.2191 0.2084 PRESSURE: 884200 -292.383 -32.3805 -159.227 -32.3804 54.6323 111.105 -159.227 111.105 -430.396 GPRESSURE: 884200 -356.715 -22.5615 -131.269 -7.68858 137.13 81.4994 -117.054 -18.3392 -384.213 PRESSAVG: 884200 32.2836 26.1787 16.8844 26.1786 -52.9869 4.66762 16.8845 4.66763 -6.45869 GPRESSAVG: 884200 31.1345 26.5387 18.463 26.7934 -52.2493 3.84942 16.5143 7.03612 -6.64502 TIMING: 884200 CPU: 2756, 0.00310753/step Wall: 2756, 0.00310754/step, 3.55278 hours remaining, 234.511719 MB of memory in use. ENERGY: 884200 4031.1207 20615.9798 14458.1575 247.3009 -202875.7949 2735.8608 0.0000 0.0000 52106.8104 -108680.5648 299.4586 -160787.3753 -108321.0461 299.6695 -222.7157 -201.2663 765285.9000 -9.0540 -9.2533 LDB: ============= START OF LOAD BALANCING ============== 2768.48 LDB: ============== END OF LOAD BALANCING =============== 2768.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2768.48 LDB: ============= START OF LOAD BALANCING ============== 2768.79 LDB: Largest compute 6972 load 0.031525 is 16.2% of average load 0.194993 LDB: Average compute 0.004392 is 2.3% of average load 0.194993 LDB: TIME 2768.8 LOAD: AVG 0.194993 MAX 0.216309 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.305 MB LDB: TIME 2768.8 LOAD: AVG 0.194993 MAX 0.216309 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.508 MB LDB: TIME 2768.8 LOAD: AVG 0.194993 MAX 0.216309 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.508 MB LDB: ============== END OF LOAD BALANCING =============== 2768.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2768.8 PRESSURE: 884400 634.592 102.3 -291.615 102.299 262.789 -74.5481 -291.616 -74.5481 193.06 GPRESSURE: 884400 609.316 190.055 -258.64 44.4011 357.482 -40.7222 -219.816 -72.6915 179.367 PRESSAVG: 884400 -11.4664 -6.00099 11.5656 -6.00097 21.7108 37.1041 11.5656 37.1042 8.09044 GPRESSAVG: 884400 -9.92742 -6.89473 9.93942 -6.04894 21.7454 36.6347 12.7448 38.8486 6.24733 TIMING: 884400 CPU: 2756.64, 0.00318711/step Wall: 2756.64, 0.00318711/step, 3.64358 hours remaining, 234.820312 MB of memory in use. ENERGY: 884400 3966.0527 20576.0432 14500.2444 236.9159 -203180.4139 2974.7122 0.0000 0.0000 52221.5078 -108704.9377 300.1177 -160926.4455 -108341.1299 300.1610 363.4805 382.0552 764071.2557 6.1116 6.0218 PRESSURE: 884600 -45.8773 -208.147 79.4454 -208.146 -19.1036 -127.057 79.4462 -127.057 -218.19 GPRESSURE: 884600 -90.4925 -56.8784 -22.9585 -179.262 9.90347 -147.704 58.5462 -54.0165 -127.853 PRESSAVG: 884600 72.9064 21.9714 14.4984 21.9715 -7.8484 15.3881 14.4984 15.3882 5.57302 GPRESSAVG: 884600 71.8955 22.7589 16.1783 23.2299 -7.82537 15.1214 13.2764 14.232 6.82337 TIMING: 884600 CPU: 2757.26, 0.00311282/step Wall: 2757.26, 0.00311282/step, 3.55847 hours remaining, 235.019531 MB of memory in use. ENERGY: 884600 3961.7462 20737.3180 14440.0986 260.2812 -203045.7537 2497.1304 0.0000 0.0000 52102.1051 -109047.0743 299.4315 -161149.1794 -108686.7627 299.7608 -94.3902 -69.4807 762958.2476 23.5437 23.6312 PRESSURE: 884800 -178.65 84.7045 -17.3015 84.7055 -25.9937 194.099 -17.3022 194.101 651.281 GPRESSURE: 884800 -193.306 118.439 7.00369 47.7618 142.941 234.798 22.4789 152.031 575.741 PRESSAVG: 884800 -28.7765 9.64094 35.6464 9.64104 -41.9614 52.9251 35.6465 52.9251 -7.88637 GPRESSAVG: 884800 -29.3592 9.48253 34.7428 8.14488 -42.1927 54.2344 36.3135 52.8826 -7.32107 TIMING: 884800 CPU: 2757.88, 0.00311552/step Wall: 2757.88, 0.00311552/step, 3.56139 hours remaining, 235.019531 MB of memory in use. ENERGY: 884800 3996.4906 20390.9765 14440.4294 263.7138 -203147.2669 3080.6501 0.0000 0.0000 52222.3923 -108752.6142 300.1228 -160975.0065 -108388.0684 299.5631 148.8792 175.1251 765274.0967 -26.2081 -26.2910 PRESSURE: 885000 13.9498 34.8903 -176.534 34.8901 -4.22398 129.462 -176.534 129.463 -138.874 GPRESSURE: 885000 -30.8273 75.599 -92.6178 55.5047 59.1156 113.364 -146.923 197.145 -65.8663 PRESSAVG: 885000 37.2873 4.9227 -43.6523 4.92279 25.8267 86.7125 -43.6523 86.7125 2.13967 GPRESSAVG: 885000 37.3391 4.68068 -42.0705 6.3891 26.1756 84.2846 -43.029 87.7533 1.43435 TIMING: 885000 CPU: 2758.51, 0.00312764/step Wall: 2758.51, 0.00312764/step, 3.57506 hours remaining, 235.019531 MB of memory in use. ENERGY: 885000 4044.4932 20673.1526 14430.6833 247.9329 -202702.4464 2589.0764 0.0000 0.0000 52007.0262 -108710.0819 298.8851 -160717.1081 -108347.3735 299.6794 -43.0493 -12.5260 764433.2657 21.7512 21.6497 PRESSURE: 885200 -95.3569 104.092 -244.913 104.092 137.961 -121.613 -244.914 -121.613 129.339 GPRESSURE: 885200 -43.9491 167.607 -259.358 204.867 121.025 -198.017 -148.089 -40.1992 189.18 PRESSAVG: 885200 -33.7681 80.3977 -40.1567 80.3977 29.5894 65.8823 -40.1566 65.8824 16.3185 GPRESSAVG: 885200 -34.6601 79.9367 -40.4287 79.4719 29.5566 67.6917 -43.0744 65.0527 17.4495 TIMING: 885200 CPU: 2759.13, 0.00310307/step Wall: 2759.13, 0.00310307/step, 3.54681 hours remaining, 235.019531 MB of memory in use. ENERGY: 885200 3931.8230 20560.3828 14457.4359 232.7689 -203197.5923 2863.1116 0.0000 0.0000 52287.3018 -108864.7683 300.4958 -161152.0702 -108489.7946 299.5836 57.3143 88.7520 764874.8281 4.0466 4.1153 PRESSURE: 885400 -135.64 -192.79 85.0098 -192.789 223.114 -27.718 85.0094 -27.7173 414.071 GPRESSURE: 885400 -32.8162 -140.08 -9.31477 -78.5001 178.964 -69.3121 107.565 -44.9984 433.813 PRESSAVG: 885400 -29.4679 58.4356 10.3628 58.4355 36.0683 31.9019 10.3629 31.9019 -3.35463 GPRESSAVG: 885400 -29.7731 58.9685 8.11099 60.1743 36.4894 31.5349 13.4503 30.2356 -3.53235 TIMING: 885400 CPU: 2759.75, 0.00311535/step Wall: 2759.75, 0.00311535/step, 3.56067 hours remaining, 235.019531 MB of memory in use. ENERGY: 885400 3967.2181 20465.4920 14451.7502 247.0022 -203374.8869 3126.4617 0.0000 0.0000 52264.6897 -108852.2729 300.3659 -161116.9626 -108480.3582 299.5049 167.1817 193.3203 764466.6198 1.0819 1.0613 PRESSURE: 885600 -190.077 -26.248 181.524 -26.2481 -79.8696 -212.245 181.524 -212.245 -101.881 GPRESSURE: 885600 -158.7 18.8246 289.728 -100.309 -35.966 -159.264 50.4701 -283.22 -87.6108 PRESSAVG: 885600 -50.9494 45.872 47.5586 45.872 35.75 3.20189 47.5587 3.20198 0.194951 GPRESSAVG: 885600 -49.1595 46.421 49.9446 45.1164 34.655 1.78979 45.1233 4.3157 -0.0116594 TIMING: 885600 CPU: 2760.37, 0.00311491/step Wall: 2760.37, 0.00311491/step, 3.56 hours remaining, 235.019531 MB of memory in use. ENERGY: 885600 3995.2703 20577.2306 14538.8992 254.0041 -203456.3791 3047.2068 0.0000 0.0000 52338.5648 -108705.2034 300.7905 -161043.7682 -108342.5284 299.6509 -123.9427 -94.0922 764007.5014 -5.0015 -4.8387 PRESSURE: 885800 298.365 107.476 -40.4053 107.476 -190.688 77.1738 -40.4064 77.1743 -342.622 GPRESSURE: 885800 293.595 167.587 -111.513 229.442 -136.292 137.733 -28.6559 55.8002 -299.515 PRESSAVG: 885800 9.61028 116.487 42.2609 116.487 -13.5302 -27.108 42.2609 -27.108 -1.02312 GPRESSAVG: 885800 8.72862 115.217 40.5261 118.97 -12.7237 -25.0955 41.6605 -25.9267 -1.58839 TIMING: 885800 CPU: 2761, 0.00310549/step Wall: 2761, 0.00310549/step, 3.54905 hours remaining, 235.019531 MB of memory in use. ENERGY: 885800 4123.6757 20540.1735 14464.2857 260.3282 -203241.1119 2943.8874 0.0000 0.0000 52138.4195 -108770.3419 299.6402 -160908.7614 -108416.6322 299.9502 -78.3150 -47.4039 763331.2516 -1.6477 -1.8611 PRESSURE: 886000 -213.874 15.9715 -54.0754 15.9725 114.496 213.06 -54.0759 213.06 -245.279 GPRESSURE: 886000 -219.519 -75.995 -118.16 -35.5949 199.693 288.335 -60.0196 141.707 -247.796 PRESSAVG: 886000 -22.2691 52.1568 -15.0001 52.1568 -29.4761 9.47389 -15.0002 9.47391 -18.3272 GPRESSAVG: 886000 -22.6078 52.2017 -13.1762 50.1278 -30.2817 8.85304 -14.0771 7.28778 -17.3328 TIMING: 886000 CPU: 2761.62, 0.00311407/step Wall: 2761.62, 0.00311407/step, 3.55869 hours remaining, 235.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 886000 4005.8908 20555.2372 14517.9705 234.5564 -202780.2547 2728.5539 0.0000 0.0000 52195.3097 -108542.7362 299.9672 -160738.0460 -108182.3116 300.0895 -114.8858 -89.2072 764567.5523 -23.3575 -23.4074 PRESSURE: 886200 -205.388 -85.5006 12.8197 -85.5012 88.2498 -504.739 12.8198 -504.738 132.438 GPRESSURE: 886200 -200.532 -51.5307 8.81021 -134.086 169.176 -484.374 55.629 -468.743 142.896 PRESSAVG: 886200 -19.4366 22.5969 24.1209 22.5969 60.4225 -10.6635 24.1209 -10.6635 -12.1333 GPRESSAVG: 886200 -18.8893 23.1364 24.5236 21.4008 61.0466 -12.4643 25.2301 -9.932 -12.6317 TIMING: 886200 CPU: 2762.24, 0.00310898/step Wall: 2762.24, 0.00310898/step, 3.5527 hours remaining, 235.019531 MB of memory in use. ENERGY: 886200 4020.7510 20551.6525 14523.5004 249.9250 -203002.1508 3046.2979 0.0000 0.0000 52268.7623 -108341.2617 300.3893 -160610.0240 -107976.8960 300.4567 5.1000 37.1799 764532.8780 9.6175 9.8419 PRESSURE: 886400 139.643 -169.229 -11.8257 -169.23 95.6174 69.6843 -11.8258 69.6859 152.014 GPRESSURE: 886400 188.847 -154.246 28.1654 -186.201 79.1139 -0.572641 -59.936 76.8259 192.539 PRESSAVG: 886400 19.4379 -12.5901 22.1632 -12.59 -11.4756 -4.91073 22.1632 -4.91067 13.5539 GPRESSAVG: 886400 20.4203 -13.8612 19.7587 -12.4186 -11.7166 -6.38467 21.7696 -4.14457 12.3438 TIMING: 886400 CPU: 2762.86, 0.00312173/step Wall: 2762.86, 0.00312173/step, 3.5671 hours remaining, 235.019531 MB of memory in use. ENERGY: 886400 4004.0190 20688.8535 14510.3166 249.7981 -202843.2684 2723.3610 0.0000 0.0000 52445.5439 -108221.3762 301.4053 -160666.9201 -107859.8264 300.9915 129.0914 153.4999 763837.7268 7.1721 7.0158 PRESSURE: 886600 -75.8722 5.47765 -96.9819 5.47777 -43.9454 304.118 -96.9821 304.117 29.7629 GPRESSURE: 886600 -117.773 -37.7809 -117.722 4.8317 52.7205 247.129 23.4557 233.357 69.1196 PRESSAVG: 886600 44.2332 21.7159 52.7642 21.7159 -25.2861 -4.46529 52.7642 -4.46539 -6.25619 GPRESSAVG: 886600 43.9851 23.1357 53.4725 20.8899 -25.7669 -3.27096 53.8081 -5.13212 -5.43427 TIMING: 886600 CPU: 2763.49, 0.0031171/step Wall: 2763.49, 0.0031171/step, 3.56163 hours remaining, 235.019531 MB of memory in use. ENERGY: 886600 4012.8661 20675.1159 14479.3820 247.6711 -203306.4854 3240.4556 0.0000 0.0000 52133.2255 -108517.7692 299.6104 -160650.9948 -108148.6839 301.1836 -30.0182 1.3558 762424.9328 4.2303 4.2613 PRESSURE: 886800 -121.732 4.096 168.959 4.09592 154.94 -76.2959 168.959 -76.2966 234.035 GPRESSURE: 886800 -126.939 -106.519 52.6208 -27.9635 209.576 -119.741 177.372 40.0362 244.118 PRESSAVG: 886800 24.0054 69.4103 -12.0095 69.4103 6.79874 16.4564 -12.0096 16.4565 3.96998 GPRESSAVG: 886800 24.0996 69.0461 -12.5278 69.0562 6.51521 17.7788 -13.7566 12.7027 4.77117 TIMING: 886800 CPU: 2764.11, 0.00311051/step Wall: 2764.11, 0.0031105/step, 3.55392 hours remaining, 235.019531 MB of memory in use. ENERGY: 886800 4016.6742 20632.5813 14447.2903 231.3049 -202925.1789 2856.2161 0.0000 0.0000 52308.7156 -108432.3965 300.6189 -160741.1120 -108065.3413 300.6845 89.0812 108.9184 765123.4772 11.5914 11.7953 PRESSURE: 887000 36.2614 -252.81 -16.8182 -252.81 440.219 -26.2944 -16.8183 -26.2953 -63.6962 GPRESSURE: 887000 120.49 -261.384 -11.2768 -53.1559 383.96 -101.703 130.138 -31.4735 -18.4302 PRESSAVG: 887000 -3.71666 -47.7882 19.8042 -47.7881 53.8849 12.1859 19.8043 12.1859 5.79236 GPRESSAVG: 887000 -5.72685 -47.0011 17.5418 -45.4822 55.4307 13.4151 21.3563 16.0798 6.18565 TIMING: 887000 CPU: 2764.73, 0.00310531/step Wall: 2764.73, 0.00310532/step, 3.54782 hours remaining, 235.019531 MB of memory in use. ENERGY: 887000 3929.8539 20402.1634 14462.6878 239.9229 -203082.3198 2938.0352 0.0000 0.0000 52269.6345 -108840.0221 300.3943 -161109.6566 -108482.2339 300.0853 137.5949 162.0065 764070.4824 18.6535 18.6298 PRESSURE: 887200 -29.2572 7.03072 -68.5529 7.03155 -264.518 -93.5131 -68.5531 -93.5115 -153.657 GPRESSURE: 887200 -90.274 60.5698 11.4444 15.5142 -117.005 47.8798 65.7766 -162.197 -158.269 PRESSAVG: 887200 -26.2962 25.4806 18.4914 25.4806 -30.5856 -18.3138 18.4914 -18.3138 -18.4726 GPRESSAVG: 887200 -25.3837 25.4221 20.3277 24.8639 -30.101 -21.7432 17.6857 -18.6872 -19.5238 TIMING: 887200 CPU: 2765.35, 0.0030987/step Wall: 2765.35, 0.0030987/step, 3.54009 hours remaining, 235.019531 MB of memory in use. ENERGY: 887200 3921.6714 20657.1723 14585.6010 256.9103 -202761.2126 2491.2972 0.0000 0.0000 52077.1398 -108771.4206 299.2880 -160848.5604 -108408.9706 299.7595 -149.1439 -121.8492 763183.9916 -25.1181 -25.0029 PRESSURE: 887400 108.311 149.053 98.2538 149.051 150.544 150.185 98.2536 150.185 -481.794 GPRESSURE: 887400 108.451 215.367 4.96145 59.3851 174.535 123.148 81.2891 107.62 -415.274 PRESSAVG: 887400 28.1527 -0.7451 1.18331 -0.745126 -25.26 -34.1253 1.18331 -34.1254 -4.96257 GPRESSAVG: 887400 27.6095 0.796806 1.71065 -0.638126 -25.4514 -30.1127 2.67328 -36.4427 -5.14035 TIMING: 887400 CPU: 2765.97, 0.00311542/step Wall: 2765.97, 0.00311542/step, 3.55902 hours remaining, 235.019531 MB of memory in use. ENERGY: 887400 3973.0511 20589.7616 14445.7915 248.6083 -202876.4551 2708.6957 0.0000 0.0000 52132.2116 -108778.3353 299.6045 -160910.5469 -108407.7978 299.8062 -74.3132 -44.0963 763022.8183 -0.6900 -0.9941 PRESSURE: 887600 -87.1443 185.587 73.7836 185.587 -1.71481 -122.56 73.7833 -122.559 97.7209 GPRESSURE: 887600 -3.69108 160.941 55.2831 -141.408 -9.24272 -165.051 -40.4998 -90.1458 95.8401 PRESSAVG: 887600 -18.0802 1.41172 7.58739 1.41175 22.7682 -84.5663 7.58735 -84.5662 -3.99811 GPRESSAVG: 887600 -17.073 0.136626 7.36399 1.70317 21.4214 -86.6882 4.89502 -82.8465 -3.45231 TIMING: 887600 CPU: 2766.6, 0.00310873/step Wall: 2766.6, 0.00310873/step, 3.55121 hours remaining, 235.019531 MB of memory in use. ENERGY: 887600 3992.3217 20459.5695 14507.6243 241.7898 -202719.8338 2752.7598 0.0000 0.0000 51841.5538 -108924.2148 297.9341 -160765.7687 -108559.3609 299.1576 2.9539 27.6354 765014.7324 0.2300 0.2987 PRESSURE: 887800 36.3606 -7.01113 209.962 -7.01152 -192.857 -18.3888 209.962 -18.3889 298.657 GPRESSURE: 887800 41.4389 -41.0768 224.284 -29.5052 -86.8884 125.497 181.071 -221.445 261.744 PRESSAVG: 887800 0.760299 15.9653 -2.70528 15.9653 -23.3119 -19.5465 -2.70529 -19.5466 26.6402 GPRESSAVG: 887800 1.2503 15.4711 -2.98393 16.0551 -22.6618 -19.4592 -0.0360827 -21.4632 25.3343 TIMING: 887800 CPU: 2767.22, 0.00311706/step Wall: 2767.22, 0.00311706/step, 3.56055 hours remaining, 235.019531 MB of memory in use. ENERGY: 887800 3914.4927 20485.9566 14513.7111 243.3808 -202447.9905 2782.8663 0.0000 0.0000 51754.5756 -108753.0074 297.4343 -160507.5829 -108393.5213 298.9242 47.3868 72.0983 764630.8342 1.3629 1.3076 PRESSURE: 888000 63.3782 -9.75841 110.928 -9.7577 -77.8393 -46.7063 110.929 -46.7069 416.424 GPRESSURE: 888000 105.506 38.6732 139.363 23.093 35.8896 -110.979 235.662 -41.1674 355.103 PRESSAVG: 888000 50.2532 -4.73067 -18.6074 -4.73067 -40.7288 -22.5988 -18.6074 -22.5988 -17.9863 GPRESSAVG: 888000 49.1779 -4.01281 -16.7622 -6.3486 -41.3456 -22.851 -18.8462 -21.4067 -15.4812 TIMING: 888000 CPU: 2767.84, 0.00311071/step Wall: 2767.84, 0.00311071/step, 3.55312 hours remaining, 235.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 888000 4008.7873 20450.5806 14477.5252 266.5199 -202800.9597 2898.7320 0.0000 0.0000 51854.9839 -108843.8308 298.0113 -160698.8147 -108491.2528 299.2075 133.9877 165.4996 762236.9760 -2.8206 -2.5496 PRESSURE: 888200 22.8315 -78.6331 -22.7327 -78.6331 -158.494 -96.0479 -22.7332 -96.0489 235.167 GPRESSURE: 888200 19.0232 21.2227 -91.0707 -46.7674 -105.267 -159.994 24.2122 -73.276 272.287 PRESSAVG: 888200 69.69 -7.13819 -28.1747 -7.13814 -108.682 -1.44832 -28.1748 -1.4484 4.33199 GPRESSAVG: 888200 70.545 -6.94703 -29.5374 -5.69913 -108.151 -1.17278 -28.9231 -0.572771 2.63498 TIMING: 888200 CPU: 2768.46, 0.00310905/step Wall: 2768.46, 0.00310905/step, 3.55106 hours remaining, 235.019531 MB of memory in use. ENERGY: 888200 3911.3535 20460.2799 14435.0822 222.7464 -202934.5713 2780.3711 0.0000 0.0000 52443.4243 -108681.3140 301.3931 -161124.7383 -108321.3632 299.2085 33.1679 62.0143 763377.9399 -11.5535 -11.6569 LDB: ============= START OF LOAD BALANCING ============== 2780.94 LDB: ============== END OF LOAD BALANCING =============== 2780.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2780.94 LDB: ============= START OF LOAD BALANCING ============== 2781.25 LDB: Largest compute 6972 load 0.031518 is 16.2% of average load 0.195032 LDB: Average compute 0.004382 is 2.2% of average load 0.195032 LDB: TIME 2781.26 LOAD: AVG 0.195032 MAX 0.212559 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.082 MB LDB: TIME 2781.26 LOAD: AVG 0.195032 MAX 0.212559 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.082 MB LDB: TIME 2781.26 LOAD: AVG 0.195032 MAX 0.212559 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.082 MB LDB: ============== END OF LOAD BALANCING =============== 2781.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2781.26 PRESSURE: 888400 -0.695621 279.313 -108.752 279.313 344.246 -15.858 -108.754 -15.8594 -112.008 GPRESSURE: 888400 205.932 188.917 -116.035 111.711 228.013 81.2508 -45.9543 -138.162 -115.716 PRESSAVG: 888400 8.39865 47.2953 -13.2667 47.2953 -29.5056 25.4804 -13.2668 25.4804 -1.7374 GPRESSAVG: 888400 8.48978 46.8367 -12.9416 47.5544 -30.3893 23.7825 -12.722 25.4252 -0.916157 TIMING: 888400 CPU: 2769.1, 0.00317035/step Wall: 2769.1, 0.00317035/step, 3.62089 hours remaining, 234.820312 MB of memory in use. ENERGY: 888400 4011.4718 20549.4884 14415.6301 254.0757 -202812.7070 3049.1969 0.0000 0.0000 51941.8903 -108590.9538 298.5108 -160532.8441 -108239.2840 299.8358 77.1806 106.0766 764434.4597 -7.6148 -7.6052 PRESSURE: 888600 -228.568 50.828 37.811 50.8289 112.046 77.6548 37.8108 77.6542 -148.119 GPRESSURE: 888600 -79.2921 70.555 77.8856 20.7408 12.9154 138.41 31.9812 -39.7079 -107.909 PRESSAVG: 888600 4.58159 20.5134 -8.38748 20.5134 9.15451 -15.5773 -8.38751 -15.5773 -2.9635 GPRESSAVG: 888600 4.107 21.5881 -8.76965 19.0959 9.80425 -15.7423 -7.93672 -14.9848 -2.99559 TIMING: 888600 CPU: 2769.72, 0.00312392/step Wall: 2769.72, 0.00312392/step, 3.56769 hours remaining, 235.023438 MB of memory in use. ENERGY: 888600 4045.0948 20419.5274 14443.9669 219.8872 -202715.6562 2800.0907 0.0000 0.0000 52016.3179 -108770.7714 298.9385 -160787.0893 -108410.4143 299.4546 -88.2136 -58.0952 765251.1894 3.5909 3.6386 PRESSURE: 888800 13.6453 58.089 -164.64 58.089 154.025 -117.727 -164.64 -117.727 -54.7575 GPRESSURE: 888800 66.4095 55.8383 -177.137 -2.41792 94.4152 -110.364 -86.9623 3.96851 32.3091 PRESSAVG: 888800 -42.1434 4.43887 -28.3057 4.43888 37.6093 8.21855 -28.3057 8.21853 6.03106 GPRESSAVG: 888800 -41.2621 1.66324 -26.2769 4.47399 36.2437 10.7808 -30.4454 6.31023 6.4644 TIMING: 888800 CPU: 2770.35, 0.00311798/step Wall: 2770.35, 0.00311798/step, 3.56073 hours remaining, 235.023438 MB of memory in use. ENERGY: 888800 3950.4436 20482.6491 14486.8636 245.5124 -203107.1116 3023.2724 0.0000 0.0000 52026.2109 -108892.1596 298.9953 -160918.3705 -108535.0683 299.1080 37.6377 64.3779 765122.3235 0.4990 0.4820 PRESSURE: 889000 -0.006483 -73.3369 13.1403 -73.337 -254.728 186.004 13.1408 186.003 -313.904 GPRESSURE: 889000 -68.899 -1.84966 -23.3078 -62.4368 -152.125 160.68 -101.662 198.837 -280.032 PRESSAVG: 889000 35.877 27.4058 -6.39341 27.4057 -6.42229 27.3785 -6.39342 27.3785 -1.22248 GPRESSAVG: 889000 34.2751 30.2897 -8.37197 27.1309 -4.85578 27.1339 -4.55951 28.6997 -1.28794 TIMING: 889000 CPU: 2770.97, 0.00311391/step Wall: 2770.97, 0.00311391/step, 3.55591 hours remaining, 235.023438 MB of memory in use. ENERGY: 889000 3998.3476 20443.4590 14441.6212 235.4849 -202660.9857 2710.7227 0.0000 0.0000 51849.0959 -108982.2544 297.9775 -160831.3504 -108617.0557 299.0994 -189.5461 -167.0187 764947.8224 9.4107 9.3771 PRESSURE: 889200 -75.2514 39.6729 -40.0868 39.6735 62.1837 28.7253 -40.0872 28.7256 18.9796 GPRESSURE: 889200 124.306 -28.6267 48.8997 71.5827 -34.2397 41.1253 -54.6743 27.4402 3.44294 PRESSAVG: 889200 -12.6649 -20.4302 31.4876 -20.4301 32.5903 39.0732 31.4876 39.0733 39.2759 GPRESSAVG: 889200 -12.5014 -21.2525 31.597 -19.2585 32.3027 37.0819 32.2759 39.3437 39.6326 TIMING: 889200 CPU: 2771.59, 0.00311698/step Wall: 2771.59, 0.00311698/step, 3.55924 hours remaining, 235.023438 MB of memory in use. ENERGY: 889200 4043.2433 20298.7008 14494.1264 224.9697 -203061.4821 2871.6325 0.0000 0.0000 52096.5944 -109032.2149 299.3998 -161128.8093 -108663.3627 298.6155 1.9706 31.1696 764128.5754 19.7337 19.8113 PRESSURE: 889400 -235.852 131.29 -201.613 131.29 -167.374 89.3688 -201.611 89.3681 242.477 GPRESSURE: 889400 -84.1792 154.924 -225.846 116.69 -193.17 81.8983 -204.585 227.19 203.19 PRESSAVG: 889400 23.2952 9.65035 -15.8138 9.65026 25.4971 34.1344 -15.8139 34.1344 -10.0056 GPRESSAVG: 889400 25.3368 9.00002 -16.0912 10.1983 23.5257 35.4345 -15.9454 34.1897 -9.51078 TIMING: 889400 CPU: 2772.21, 0.00311586/step Wall: 2772.21, 0.00311586/step, 3.55779 hours remaining, 235.023438 MB of memory in use. ENERGY: 889400 4030.7049 20253.2994 14384.3447 233.7984 -202723.3271 2722.8332 0.0000 0.0000 52046.6573 -109051.6893 299.1129 -161098.3466 -108682.4842 298.9992 -53.5829 -24.7199 765571.5141 12.9289 13.1172 PRESSURE: 889600 -112.644 -94.1975 72.8007 -94.1972 175.545 105.384 72.8006 105.383 -172.216 GPRESSURE: 889600 -95.1636 -49.8852 82.0865 -76.1873 151.918 75.7069 80.199 79.1269 -70.1368 PRESSAVG: 889600 7.97211 -18.4383 18.466 -18.4382 -24.2793 23.3485 18.4659 23.3485 -11.4015 GPRESSAVG: 889600 7.35723 -18.26 18.8981 -20.4635 -21.8612 21.9923 16.9617 24.8265 -12.757 TIMING: 889600 CPU: 2772.84, 0.0031134/step Wall: 2772.84, 0.0031134/step, 3.55482 hours remaining, 235.023438 MB of memory in use. ENERGY: 889600 4040.6537 20385.7983 14379.5143 260.4416 -203392.3135 3260.8736 0.0000 0.0000 52061.5669 -109003.4650 299.1985 -161065.0319 -108650.9209 298.8520 -36.4380 -4.4609 763171.3901 -9.2362 -9.0870 PRESSURE: 889800 20.0421 -209.208 357.395 -209.208 -221.696 115.842 357.394 115.843 101.01 GPRESSURE: 889800 19.0972 -252.965 350.631 -160.179 -211.369 137.27 302.613 46.5842 154.458 PRESSAVG: 889800 45.0585 -9.2325 7.12812 -9.2325 -51.4272 59.3858 7.12812 59.3857 -2.49543 GPRESSAVG: 889800 45.0082 -9.85421 6.69428 -8.18978 -52.9683 60.9401 7.74814 56.2512 -2.33634 TIMING: 889800 CPU: 2773.46, 0.00311064/step Wall: 2773.46, 0.00311064/step, 3.55149 hours remaining, 235.023438 MB of memory in use. ENERGY: 889800 4024.7948 20608.6144 14403.8437 249.1737 -203318.1802 2944.6891 0.0000 0.0000 52107.7335 -108979.3310 299.4639 -161087.0645 -108624.7414 298.7794 -33.5478 -12.6046 765610.5522 -2.9547 -3.4321 PRESSURE: 890000 -203.328 416.046 218.403 416.046 -158.586 -185.015 218.402 -185.014 -63.1748 GPRESSURE: 890000 -187.082 393.466 205.525 315.613 -60.1378 -177.429 254.687 -173.694 -85.7648 PRESSAVG: 890000 12.0468 34.7793 36.8265 34.7793 -28.37 0.997656 36.8265 0.997792 13.9496 GPRESSAVG: 890000 12.0195 35.5039 37.0286 34.4272 -27.8883 0.312037 34.7038 0.421517 14.0461 TIMING: 890000 CPU: 2774.08, 0.00312025/step Wall: 2774.08, 0.00312025/step, 3.56228 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 890000 4113.2797 20638.4826 14407.4108 231.5901 -202770.0337 2601.6934 0.0000 0.0000 51736.6674 -109040.9096 297.3313 -160777.5770 -108689.6784 298.8333 -141.6964 -110.9948 766332.5216 -0.7912 -0.6076 PRESSURE: 890200 -13.3829 -39.9233 -42.4603 -39.9227 81.0674 62.3582 -42.4599 62.3586 145.762 GPRESSURE: 890200 9.05649 21.0632 -55.2304 -9.48904 168.447 120.19 3.65063 58.9269 121.964 PRESSAVG: 890200 -52.2907 -6.10115 39.0871 -6.10119 34.1107 22.7163 39.0871 22.7163 2.78518 GPRESSAVG: 890200 -52.8899 -6.4869 39.9696 -5.8644 34.4046 23.5268 38.7281 24.9436 3.39656 TIMING: 890200 CPU: 2774.71, 0.00312228/step Wall: 2774.71, 0.00312228/step, 3.56443 hours remaining, 235.023438 MB of memory in use. ENERGY: 890200 3972.1622 20509.4463 14453.6537 242.0206 -203342.0383 2993.3675 0.0000 0.0000 51745.3773 -109426.0107 297.3814 -161171.3879 -109074.2945 298.2249 71.1488 99.8224 763801.9657 -5.1316 -5.0296 PRESSURE: 890400 -324.132 28.7546 -55.706 28.7546 266.323 -117.213 -55.7068 -117.212 -203.586 GPRESSURE: 890400 -147.136 -9.01165 -53.8077 163.483 178.665 -18.6563 -78.7224 -120.91 -206.081 PRESSAVG: 890400 33.7621 33.9461 -2.92683 33.9462 9.60811 -16.7489 -2.92678 -16.7491 -16.3502 GPRESSAVG: 890400 33.9264 33.4628 -0.909531 32.6141 9.21831 -18.8722 -2.94973 -15.8865 -15.4599 TIMING: 890400 CPU: 2775.33, 0.0031277/step Wall: 2775.33, 0.0031277/step, 3.57044 hours remaining, 235.023438 MB of memory in use. ENERGY: 890400 4008.8279 20430.1024 14440.7714 263.2397 -203117.2073 2633.9152 0.0000 0.0000 51760.0765 -109580.2742 297.4659 -161340.3507 -109223.5963 297.7336 -87.1318 -58.1840 764269.0917 9.0067 9.2283 PRESSURE: 890600 248.393 121.506 -36.8823 121.506 145.655 -95.7976 -36.8825 -95.7975 96.8949 GPRESSURE: 890600 286.027 98.1274 13.304 -60.4553 129.841 8.7644 -151.204 -80.6453 153.66 PRESSAVG: 890600 3.16865 3.02196 -20.3036 3.02189 11.2747 -30.3009 -20.3036 -30.301 6.92041 GPRESSAVG: 890600 3.00216 3.7514 -21.0299 3.35762 11.721 -28 -17.9766 -31.0688 6.12158 TIMING: 890600 CPU: 2775.96, 0.0031208/step Wall: 2775.96, 0.0031208/step, 3.5624 hours remaining, 235.023438 MB of memory in use. ENERGY: 890600 3925.4565 20467.6065 14500.9088 239.2422 -203617.5593 2999.4722 0.0000 0.0000 52132.5869 -109352.2863 299.6067 -161484.8731 -108986.2573 298.1453 163.6477 189.8428 763635.2673 7.1213 6.9483 PRESSURE: 890800 -85.8538 -236.258 187.412 -236.258 -352.632 -43.582 187.413 -43.5809 -238.191 GPRESSURE: 890800 -149.876 -224.344 182.387 -229.542 -222.418 -55.0956 86.0647 -126.119 -252.416 PRESSAVG: 890800 11.7257 12.3453 44.3466 12.3453 3.77732 -31.2505 44.3466 -31.2505 23.9971 GPRESSAVG: 890800 12.2765 11.1393 43.3656 13.5602 4.33455 -33.2511 43.0332 -32.1053 23.5423 TIMING: 890800 CPU: 2776.58, 0.00311824/step Wall: 2776.58, 0.00311824/step, 3.55929 hours remaining, 235.023438 MB of memory in use. ENERGY: 890800 3928.7976 20518.2333 14471.6106 274.4544 -203628.9742 3041.0322 0.0000 0.0000 52038.7517 -109356.0945 299.0674 -161394.8462 -108986.2642 298.6130 -225.5592 -208.2368 763068.5344 13.1667 13.3845 PRESSURE: 891000 26.2234 -312.73 -173.807 -312.731 -270.415 -24.6065 -173.808 -24.6063 197.36 GPRESSURE: 891000 52.0004 -375.587 -173.23 -363.553 -189.082 11.433 -50.6511 110.123 180.47 PRESSAVG: 891000 12.7533 -9.81832 -3.25741 -9.81831 -5.38466 -31.9919 -3.25742 -31.9919 -15.2633 GPRESSAVG: 891000 12.4735 -10.4282 -3.42526 -10.0092 -6.32134 -31.7075 -4.51836 -32.723 -13.8474 TIMING: 891000 CPU: 2777.2, 0.00311255/step Wall: 2777.2, 0.00311255/step, 3.55262 hours remaining, 235.023438 MB of memory in use. ENERGY: 891000 4101.0079 20610.9526 14484.3985 260.3649 -203545.0658 2877.2296 0.0000 0.0000 51967.6701 -109243.4422 298.6589 -161211.1124 -108884.8515 298.5980 -15.6105 14.4628 764146.5026 -2.6316 -2.5651 PRESSURE: 891200 -115.476 227.768 62.1359 227.768 311.46 -74.757 62.1354 -74.7567 93.8078 GPRESSURE: 891200 -42.2849 264.838 29.4921 232.515 266.036 -98.746 -24.1378 -40.3507 142.415 PRESSAVG: 891200 -49.7425 -19.2996 43.7187 -19.2997 22.6464 -0.809711 43.7187 -0.809679 23.6439 GPRESSAVG: 891200 -49.0198 -19.2955 43.0678 -21.7283 21.9944 -0.796729 45.9825 0.181678 23.5651 TIMING: 891200 CPU: 2777.83, 0.00310792/step Wall: 2777.83, 0.00310792/step, 3.54717 hours remaining, 235.023438 MB of memory in use. ENERGY: 891200 4055.8517 20481.3020 14576.0827 228.9716 -203715.4999 3038.8766 0.0000 0.0000 52159.2582 -109175.1573 299.7600 -161334.4154 -108814.8516 298.9393 96.5971 122.0553 763167.9894 -1.1507 -1.1534 PRESSURE: 891400 -14.3857 134.208 45.6847 134.206 91.6513 -133.122 45.6846 -133.123 -187.624 GPRESSURE: 891400 93.0369 136.647 70.5917 150.267 104.265 -146.146 107.001 -170.203 -249.84 PRESSAVG: 891400 9.5373 29.6277 -89.9862 29.6277 14.0016 -20.5188 -89.9863 -20.5188 20.22 GPRESSAVG: 891400 8.22088 29.2543 -88.7948 32.2658 15.6944 -20.3399 -92.0365 -18.2359 20.1571 TIMING: 891400 CPU: 2778.45, 0.00310664/step Wall: 2778.45, 0.00310664/step, 3.54554 hours remaining, 235.023438 MB of memory in use. ENERGY: 891400 4011.2635 20521.0519 14499.9767 228.1167 -203383.6912 2874.4051 0.0000 0.0000 52230.4348 -109018.4426 300.1690 -161248.8774 -108658.6275 299.7783 -36.7861 -17.5126 762542.8052 14.5863 14.6908 PRESSURE: 891600 248.451 255.306 150.28 255.305 166.168 -130.785 150.279 -130.784 152.092 GPRESSURE: 891600 248.671 292.39 157.407 218.034 262.752 -84.3626 118.741 -56.571 142.401 PRESSAVG: 891600 29.8637 13.4177 -74.0774 13.4177 -38.6328 -8.44133 -74.0775 -8.44127 -33.0202 GPRESSAVG: 891600 29.7533 14.2442 -74.3533 12.2415 -37.8455 -8.77558 -74.2196 -10.4747 -33.0675 TIMING: 891600 CPU: 2779.07, 0.00311676/step Wall: 2779.07, 0.00311676/step, 3.55691 hours remaining, 235.023438 MB of memory in use. ENERGY: 891600 4038.5402 20385.2466 14553.2343 246.3602 -203533.6705 3245.8337 0.0000 0.0000 52173.2810 -108891.1745 299.8406 -161064.4555 -108527.4086 299.4904 188.9036 217.9412 762801.1171 -13.9298 -13.7199 PRESSURE: 891800 -226.3 41.1172 -71.1277 41.1165 -36.1968 -66.2602 -71.1292 -66.2608 68.6178 GPRESSURE: 891800 -225.931 59.4796 -14.5438 25.2602 -1.10625 -15.4557 -5.75246 -33.661 105.691 PRESSAVG: 891800 -16.5705 54.3725 128.488 54.3724 27.2362 -54.0027 128.488 -54.0027 31.1459 GPRESSAVG: 891800 -16.6175 53.895 128.425 54.3016 26.9934 -54.4857 129.242 -52.0873 30.6239 TIMING: 891800 CPU: 2779.69, 0.00310652/step Wall: 2779.69, 0.00310652/step, 3.54506 hours remaining, 235.023438 MB of memory in use. ENERGY: 891800 3920.0468 20490.6392 14534.2810 251.3141 -202726.7020 2720.0344 0.0000 0.0000 52080.2354 -108730.1511 299.3058 -160810.3866 -108364.4372 299.4254 -64.6262 -40.4487 764146.1253 13.9372 13.6666 PRESSURE: 892000 210.672 198.613 -24.6588 198.614 -197.036 -166.235 -24.659 -166.235 -313.779 GPRESSURE: 892000 190.745 113.417 -2.87003 195.856 -78.1795 -174.469 -48.2211 -247.94 -329.546 PRESSAVG: 892000 -7.27833 57.2113 27.7342 57.2114 34.5461 -68.5744 27.7342 -68.5745 -13.7104 GPRESSAVG: 892000 -6.48471 55.6167 29.2662 58.2791 31.9977 -67.2455 28.3152 -70.8468 -11.6944 TIMING: 892000 CPU: 2780.31, 0.00310437/step Wall: 2780.31, 0.00310437/step, 3.54243 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 892000 4028.3247 20393.7040 14512.9055 225.8611 -203030.1297 2771.4145 0.0000 0.0000 52143.8464 -108954.0735 299.6714 -161097.9198 -108593.7007 300.0213 -100.0478 -72.3269 763321.7279 4.5191 4.6062 PRESSURE: 892200 146.444 -119.696 -103.261 -119.696 66.329 135.189 -103.261 135.189 400.726 GPRESSURE: 892200 96.2251 -156.729 -134.495 -45.7702 103.7 159.187 -84.1843 161.723 480.998 PRESSAVG: 892200 -47.467 -37.06 6.55995 -37.06 26.8849 -71.977 6.55987 -71.9769 42.0421 GPRESSAVG: 892200 -47.9529 -37.0986 4.1878 -37.293 27.3742 -71.8097 6.27431 -71.8437 41.1789 TIMING: 892200 CPU: 2780.94, 0.00312066/step Wall: 2780.94, 0.00312066/step, 3.56085 hours remaining, 235.023438 MB of memory in use. ENERGY: 892200 3921.9967 20573.0882 14400.0309 228.1396 -203607.2650 3334.7792 0.0000 0.0000 52060.5126 -109088.7179 299.1925 -161149.2304 -108730.4383 299.6835 204.4997 226.9744 764076.8096 7.1533 6.8667 LDB: ============= START OF LOAD BALANCING ============== 2793.41 LDB: ============== END OF LOAD BALANCING =============== 2793.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2793.41 LDB: ============= START OF LOAD BALANCING ============== 2793.73 LDB: Largest compute 6985 load 0.032114 is 16.5% of average load 0.195106 LDB: Average compute 0.004386 is 2.2% of average load 0.195106 LDB: TIME 2793.73 LOAD: AVG 0.195106 MAX 0.215145 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 232.957 MB LDB: TIME 2793.73 LOAD: AVG 0.195106 MAX 0.215145 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.957 MB LDB: TIME 2793.73 LOAD: AVG 0.195106 MAX 0.215145 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.957 MB LDB: ============== END OF LOAD BALANCING =============== 2793.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2793.74 PRESSURE: 892400 -137.684 26.451 71.0325 26.4506 185.624 -78.8736 71.0328 -78.8723 27.5057 GPRESSURE: 892400 -162.622 30.0975 64.1157 42.2834 248.566 -57.4458 179.143 -84.1936 75.2563 PRESSAVG: 892400 -5.2508 45.1523 14.3361 45.1523 -26.6677 -38.254 14.3361 -38.2539 -11.2613 GPRESSAVG: 892400 -4.74597 48.1665 15.5915 45.1479 -26.5857 -37.976 13.251 -39.2162 -11.2007 TIMING: 892400 CPU: 2781.57, 0.00317085/step Wall: 2781.57, 0.00317085/step, 3.61794 hours remaining, 232.957031 MB of memory in use. ENERGY: 892400 4068.0552 20490.5135 14447.0486 256.6756 -202794.1090 2642.4625 0.0000 0.0000 51872.4373 -109016.9163 298.1116 -160889.3536 -108658.5096 299.3683 25.1485 53.7335 762916.1496 -14.3933 -14.1775 PRESSURE: 892600 39.7274 -111.418 19.9675 -111.42 98.319 -102.722 19.9674 -102.721 168.086 GPRESSURE: 892600 84.3586 -102.537 -42.9503 -78.6766 186.021 -145.999 114.616 -99.8148 135.615 PRESSAVG: 892600 35.1588 -25.0986 16.3117 -25.0986 -22.147 -23.5504 16.3117 -23.5504 13.5724 GPRESSAVG: 892600 35.063 -26.9736 17.265 -26.5728 -22.5539 -23.6375 18.249 -22.3037 13.8936 TIMING: 892600 CPU: 2782.19, 0.00310686/step Wall: 2782.19, 0.00310686/step, 3.54475 hours remaining, 232.957031 MB of memory in use. ENERGY: 892600 4011.6960 20425.3204 14475.3934 251.7334 -202938.3370 2764.4189 0.0000 0.0000 52074.5506 -108935.2245 299.2732 -161009.7750 -108565.4358 299.4250 102.0440 135.3315 762333.4647 8.8614 8.8009 PRESSURE: 892800 -332.87 -59.8325 -4.41938 -59.8321 -281.875 264.557 -4.42047 264.557 183.669 GPRESSURE: 892800 -316.571 -8.52627 -59.286 -148.443 -252.385 296.56 -37.5209 277.761 223.245 PRESSAVG: 892800 31.7585 -8.42141 -29.5078 -8.42138 30.3999 -7.61068 -29.5079 -7.61066 10.4946 GPRESSAVG: 892800 31.1071 -7.89903 -31.3024 -6.66725 31.0661 -7.11951 -29.9647 -7.65517 9.7751 TIMING: 892800 CPU: 2782.81, 0.00310076/step Wall: 2782.81, 0.00310076/step, 3.53762 hours remaining, 232.957031 MB of memory in use. ENERGY: 892800 3959.2454 20554.7915 14474.1802 243.7748 -203276.8981 2993.2924 0.0000 0.0000 52091.8453 -108959.7686 299.3726 -161051.6139 -108608.2053 299.2586 -143.6919 -115.2371 762304.2624 24.2177 23.9828 PRESSURE: 893000 55.6424 -231.106 151.708 -231.107 329.26 50.4539 151.707 50.4529 -433.478 GPRESSURE: 893000 154.883 -236.619 267.101 -232.584 239.342 -8.16753 -2.95431 69.3077 -378.713 PRESSAVG: 893000 -3.64423 0.297541 -53.4688 0.297537 16.3199 2.0149 -53.4687 2.01493 8.07929 GPRESSAVG: 893000 -4.17214 -1.31257 -52.4915 0.50393 16.2898 2.03674 -53.7472 3.43606 7.62082 TIMING: 893000 CPU: 2783.44, 0.00312194/step Wall: 2783.44, 0.00312194/step, 3.56161 hours remaining, 232.957031 MB of memory in use. ENERGY: 893000 4010.9204 20543.3201 14505.6174 271.1814 -202951.4860 2790.6797 0.0000 0.0000 52115.3942 -108714.3727 299.5079 -160829.7670 -108356.3163 299.8207 -16.1919 5.1705 764120.6164 6.9183 6.5795 PRESSURE: 893200 -166.229 91.0958 -197.584 91.0961 179.092 -151.092 -197.583 -151.092 -338.904 GPRESSURE: 893200 -85.2872 124.939 -199.353 112.871 128.931 -99.8254 -78.3036 -241.371 -288.744 PRESSAVG: 893200 14.8216 0.244658 7.99532 0.244595 22.589 -44.6084 7.99525 -44.6083 23.0298 GPRESSAVG: 893200 15.4351 2.58613 5.49803 -1.19017 21.7499 -45.4734 7.53912 -46.0279 23.6116 TIMING: 893200 CPU: 2784.06, 0.00312011/step Wall: 2784.06, 0.00312011/step, 3.55935 hours remaining, 232.957031 MB of memory in use. ENERGY: 893200 3876.8691 20592.8814 14429.9957 233.7572 -202905.4655 2633.1495 0.0000 0.0000 52043.6843 -109095.1282 299.0958 -161138.8125 -108731.4351 299.2181 -108.6802 -81.7000 764623.6131 20.1468 20.2655 PRESSURE: 893400 31.1894 10.4593 -267.218 10.4594 164.332 -168.797 -267.218 -168.799 118.65 GPRESSURE: 893400 55.6072 67.3733 -127.705 -30.5785 191.392 -122.679 -149.804 -232.044 167.387 PRESSAVG: 893400 2.42282 34.8051 -26.528 34.8051 22.9974 -11.491 -26.528 -11.4911 -14.198 GPRESSAVG: 893400 2.22412 34.4971 -24.7142 35.8032 23.7285 -10.2875 -25.2884 -9.96583 -14.6611 TIMING: 893400 CPU: 2784.69, 0.00313116/step Wall: 2784.69, 0.00313116/step, 3.57178 hours remaining, 232.957031 MB of memory in use. ENERGY: 893400 3872.5069 20622.1343 14419.8350 244.9475 -203153.0061 3025.4126 0.0000 0.0000 51993.7518 -108974.4179 298.8088 -160968.1697 -108616.2110 299.1338 104.7238 138.1287 764059.6087 3.7407 3.7638 PRESSURE: 893600 109.099 106.057 12.5674 106.057 -171.463 159.715 12.5674 159.715 -136.159 GPRESSURE: 893600 54.8579 151.52 -80.9264 -20.936 -110.754 189.487 30.3704 58.4275 -54.8936 PRESSAVG: 893600 8.30549 27.0038 3.78301 27.0038 -6.94007 -31.4294 3.78303 -31.4294 1.23491 GPRESSAVG: 893600 7.81529 27.4212 4.76495 26.3203 -6.35548 -31.9504 3.24873 -32.3462 1.42273 TIMING: 893600 CPU: 2785.31, 0.00309211/step Wall: 2785.31, 0.00309211/step, 3.52707 hours remaining, 232.957031 MB of memory in use. ENERGY: 893600 3969.5776 20581.9593 14424.0333 271.3934 -203024.0966 2746.4211 0.0000 0.0000 52168.1091 -108862.6028 299.8108 -161030.7119 -108503.2628 299.1637 -66.1746 -36.9300 764398.8412 0.8668 0.9608 PRESSURE: 893800 -170.98 79.3384 -137.988 79.3388 -151.86 15.1612 -137.988 15.1612 -141.582 GPRESSURE: 893800 -99.8207 88.7835 -135.89 98.537 -131.836 54.6704 -83.7031 44.0572 -161.014 PRESSAVG: 893800 -28.7265 39.1411 -13.11 39.1411 10.7038 -9.90867 -13.1099 -9.90866 9.02574 GPRESSAVG: 893800 -28.3495 38.5331 -14.1795 40.8283 11.0881 -10.1505 -13.4504 -10.0176 8.23011 TIMING: 893800 CPU: 2785.92, 0.00309865/step Wall: 2785.92, 0.00309865/step, 3.53436 hours remaining, 232.957031 MB of memory in use. ENERGY: 893800 3993.1222 20611.1227 14374.6812 242.5637 -203283.6860 2790.9702 0.0000 0.0000 52234.2712 -109036.9549 300.1911 -161271.2261 -108673.2009 299.2454 -154.8071 -130.8900 762496.0828 -2.9990 -3.0104 PRESSURE: 894000 -179.048 237.314 -44.0314 237.314 47.7785 -55.4633 -44.0322 -55.4636 283.397 GPRESSURE: 894000 -93.5176 135.422 34.3285 163.001 133.129 18.2946 -54.0928 -15.4586 191.854 PRESSAVG: 894000 6.67999 53.3338 -36.7997 53.3338 11.7451 50.972 -36.7997 50.9721 -9.92173 GPRESSAVG: 894000 5.96592 51.3616 -35.5612 52.4727 11.137 50.8972 -35.4762 51.0751 -8.75899 TIMING: 894000 CPU: 2786.54, 0.00309328/step Wall: 2786.54, 0.00309328/step, 3.52805 hours remaining, 232.957031 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: 894000 3978.0152 20459.6869 14418.3644 236.1069 -203444.9303 2929.2059 0.0000 0.0000 52273.6533 -109149.8977 300.4174 -161423.5511 -108782.0983 299.1782 50.7092 77.1551 764029.8813 2.8345 2.7813 PRESSURE: 894200 51.5426 13.7339 -162.768 13.7344 -207.347 213.378 -162.767 213.379 -14.5659 GPRESSURE: 894200 81.1522 -43.0952 -296.711 122.372 -141.79 243.661 -221.271 189.621 -42.0008 PRESSAVG: 894200 -17.9496 46.7308 4.84907 46.7308 5.0029 47.2931 4.84914 47.293 -0.625671 GPRESSAVG: 894200 -17.997 47.1633 3.93212 47.8803 4.97434 47.522 4.23759 47.497 -0.743899 TIMING: 894200 CPU: 2787.16, 0.00310058/step Wall: 2787.16, 0.00310058/step, 3.53621 hours remaining, 232.957031 MB of memory in use. ENERGY: 894200 3960.3663 20627.8466 14420.5466 268.1922 -203473.4721 2873.8506 0.0000 0.0000 52121.3317 -109201.3380 299.5420 -161322.6698 -108828.0656 299.1757 -56.7903 -34.2128 762374.4184 -4.5241 -4.5889 PRESSURE: 894400 -438.5 152.789 34.0054 152.789 -117.07 197.049 34.0058 197.05 -331.565 GPRESSURE: 894400 -337.757 37.9068 -62.8454 157.422 -117.735 97.7857 24.1199 149.609 -349.099 PRESSAVG: 894400 -63.9674 24.5521 -23.2986 24.5522 97.8951 53.9082 -23.2987 53.9082 28.9611 GPRESSAVG: 894400 -62.9738 25.4559 -24.5145 21.7112 96.6865 53.6381 -24.7339 54.3959 29.3624 TIMING: 894400 CPU: 2787.78, 0.00310013/step Wall: 2787.78, 0.00310013/step, 3.53552 hours remaining, 232.957031 MB of memory in use. ENERGY: 894400 4085.4282 20726.1324 14508.8427 240.0440 -203386.9064 2786.4179 0.0000 0.0000 52023.3863 -109016.6549 298.9791 -161040.0411 -108656.5410 299.1831 -295.7117 -268.1968 764881.1578 20.9629 21.0250 PRESSURE: 894600 -200.696 15.5141 -154.146 15.514 -90.2183 29.7748 -154.146 29.7745 199.643 GPRESSURE: 894600 -177.034 95.2444 -77.4493 17.8368 -52.2811 42.0719 -161.138 -16.5608 216.435 PRESSAVG: 894600 -9.2389 10.9362 2.10295 10.9361 9.1299 -31.1115 2.10298 -31.1116 15.6233 GPRESSAVG: 894600 -9.5951 14.4135 4.76608 12.6202 9.36468 -31.968 0.787424 -32.7243 15.7965 TIMING: 894600 CPU: 2788.41, 0.00312154/step Wall: 2788.41, 0.00312154/step, 3.55976 hours remaining, 232.957031 MB of memory in use. ENERGY: 894600 3918.1687 20563.4350 14479.1606 255.4804 -203670.8366 3079.1878 0.0000 0.0000 52251.9554 -109123.4487 300.2927 -161375.4041 -108756.6672 299.2230 -30.4238 -4.2933 763912.0803 5.1714 5.1887 PRESSURE: 894800 -103.546 176.084 -69.1554 176.085 -199.052 -129.527 -69.1552 -129.528 264.198 GPRESSURE: 894800 -81.42 207.907 -44.9578 102.674 -162.499 -56.4719 -59.3412 -162.354 282.709 PRESSAVG: 894800 5.11008 32.2362 -31.8115 32.2362 -7.97798 -21.7498 -31.8115 -21.7497 -1.65326 GPRESSAVG: 894800 3.44019 27.6955 -32.8352 32.921 -6.62453 -20.7016 -31.0047 -22.3984 -1.35865 TIMING: 894800 CPU: 2789.03, 0.00311307/step Wall: 2789.03, 0.00311306/step, 3.54993 hours remaining, 232.957031 MB of memory in use. ENERGY: 894800 3987.6693 20605.1402 14518.5954 252.4039 -203167.8845 2968.7607 0.0000 0.0000 51957.1122 -108878.2029 298.5982 -160835.3151 -108512.9471 299.2111 -12.8001 12.9300 766017.7518 -1.5071 -1.5143 PRESSURE: 895000 257.356 192.086 7.69204 192.085 239.991 -143.562 7.69132 -143.561 -196.888 GPRESSURE: 895000 241.924 260.266 -3.89288 115.423 270.987 -233.193 -26.4094 -267.715 -110.279 PRESSAVG: 895000 -0.99903 14.2658 -31.2348 14.2658 19.4609 -39.0412 -31.2347 -39.0412 16.5819 GPRESSAVG: 895000 -0.254544 17.5942 -30.3157 13.3571 17.8737 -39.8352 -32.2952 -39.5148 16.8643 TIMING: 895000 CPU: 2789.65, 0.00310704/step Wall: 2789.65, 0.00310704/step, 3.54289 hours remaining, 232.957031 MB of memory in use. ENERGY: 895000 4011.1230 20708.4123 14424.0523 242.9566 -203283.6603 2916.4294 0.0000 0.0000 51897.6154 -109083.0712 298.2563 -160980.6866 -108726.4293 298.9898 100.1530 134.2107 764924.8423 11.6812 11.4945 PRESSURE: 895200 -36.5953 102.468 45.1156 102.467 189.179 -188.074 45.1156 -188.073 8.3767 GPRESSURE: 895200 80.3313 24.0797 -70.5241 142.769 119.057 -228.382 34.1195 -153.771 54.0682 PRESSAVG: 895200 -3.13703 39.8541 -0.252323 39.8541 43.4306 -82.8164 -0.25229 -82.8164 -16.6122 GPRESSAVG: 895200 -2.28788 36.7002 -2.01601 39.4138 42.9009 -81.6562 0.649798 -82.2469 -17.008 TIMING: 895200 CPU: 2790.27, 0.00310122/step Wall: 2790.27, 0.00310122/step, 3.53608 hours remaining, 232.957031 MB of memory in use. ENERGY: 895200 3920.3937 20495.3482 14512.2931 235.5274 -203383.8649 3005.4663 0.0000 0.0000 52034.3441 -109180.4921 299.0421 -161214.8363 -108807.1247 298.7529 53.6533 84.4854 763727.8136 7.8938 7.8683 PRESSURE: 895400 77.3242 15.3587 -168.379 15.3598 -78.8462 27.1534 -168.38 27.1529 63.1379 GPRESSURE: 895400 132.526 95.0416 -179.188 -118.308 -82.4309 110.669 -215.814 -86.2615 110.859 PRESSAVG: 895400 -10.6 -28.5914 -6.03295 -28.5914 18.1713 -53.282 -6.03296 -53.282 21.1573 GPRESSAVG: 895400 -11.3311 -27.3099 -7.31609 -26.6424 18.5309 -54.0498 -7.01694 -53.0683 21.1104 TIMING: 895400 CPU: 2790.89, 0.00311134/step Wall: 2790.89, 0.00311134/step, 3.54744 hours remaining, 232.957031 MB of memory in use. ENERGY: 895400 4012.4143 20612.5560 14572.9125 248.4042 -203053.4607 2688.0567 0.0000 0.0000 51799.7202 -109119.3967 297.6937 -160919.1169 -108766.8874 298.5800 20.5386 53.6514 763567.7247 9.5762 9.4367 PRESSURE: 895600 -15.7494 -49.1371 -40.3176 -49.1372 -133.318 -70.6176 -40.3185 -70.617 118.297 GPRESSURE: 895600 2.37466 -79.8849 -55.3824 10.2835 -116.53 -36.0872 -160.271 -3.25689 143.726 PRESSAVG: 895600 -23.2546 2.04371 -24.4329 2.04372 60.0583 -57.2154 -24.433 -57.2153 17.2911 GPRESSAVG: 895600 -22.783 1.9293 -20.6087 1.72816 59.8693 -56.7224 -24.3188 -58.4242 16.3818 TIMING: 895600 CPU: 2791.51, 0.00310154/step Wall: 2791.51, 0.00310154/step, 3.5361 hours remaining, 232.957031 MB of memory in use. ENERGY: 895600 3994.9306 20534.2702 14470.7388 248.2906 -203391.2274 2941.2226 0.0000 0.0000 52161.6108 -109040.1639 299.7735 -161201.7747 -108684.0949 299.1029 -10.2567 9.8567 763029.7439 18.0316 17.8227 PRESSURE: 895800 98.3102 -24.109 10.1474 -24.1088 -46.2589 118.103 10.148 118.103 167.55 GPRESSURE: 895800 64.8574 46.3719 -33.3911 -49.153 60.9498 88.5875 47.2277 92.9699 171.978 PRESSAVG: 895800 -6.91389 0.500535 26.5488 0.500578 -27.9666 -23.3228 26.5488 -23.3228 -14.8246 GPRESSAVG: 895800 -7.18317 0.607239 23.8122 1.80349 -27.58 -24.3973 28.953 -22.4141 -14.7294 TIMING: 895800 CPU: 2792.13, 0.00309853/step Wall: 2792.13, 0.00309853/step, 3.53249 hours remaining, 232.957031 MB of memory in use. ENERGY: 895800 3965.1150 20530.7596 14561.6944 254.5581 -203294.8001 2870.2631 0.0000 0.0000 52106.1241 -109006.2857 299.4546 -161112.4099 -108646.8895 298.8949 73.2004 99.2617 761764.4075 -16.5684 -16.4975 PRESSURE: 896000 198.52 -8.54639 -116.396 -8.54591 -93.9381 107.738 -116.396 107.739 -96.7229 GPRESSURE: 896000 313.454 101.179 -141.565 -114.469 -42.0634 64.1854 -79.7887 116.259 -181.706 PRESSAVG: 896000 -20.461 26.4951 -22.1805 26.495 32.0263 -12.4503 -22.1803 -12.4503 42.847 GPRESSAVG: 896000 -20.3416 27.5213 -23.1769 24.2728 32.0382 -12.267 -22.7256 -12.0776 42.6257 TIMING: 896000 CPU: 2792.75, 0.00309125/step Wall: 2792.75, 0.00309125/step, 3.52403 hours remaining, 232.957031 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: 896000 3988.3335 20538.2858 14551.9741 241.7503 -203076.4821 2575.8097 0.0000 0.0000 52056.5122 -109123.8165 299.1695 -161180.3288 -108758.2845 299.1121 2.6198 29.8949 760275.7535 18.1375 18.1074 PRESSURE: 896200 17.6361 39.2436 -125.363 39.2438 87.8557 -311.349 -125.362 -311.35 -71.6702 GPRESSURE: 896200 13.66 35.4431 -153.877 50.8733 97.6512 -280.915 -92.1581 -419.237 14.9474 PRESSAVG: 896200 61.4832 15.4821 -37.7921 15.4821 -28.3698 -34.8416 -37.7922 -34.8416 -16.5136 GPRESSAVG: 896200 62.4279 15.1936 -36.2151 15.45 -28.7527 -36.158 -38.4451 -35.9757 -16.8289 TIMING: 896200 CPU: 2793.37, 0.00309564/step Wall: 2793.37, 0.00309564/step, 3.52886 hours remaining, 232.957031 MB of memory in use. ENERGY: 896200 3915.0153 20609.3734 14469.3013 242.8942 -202890.8978 2731.8604 0.0000 0.0000 51644.3124 -109278.1407 296.8006 -160922.4532 -108932.1819 298.8439 11.2739 42.0862 763444.0777 5.5333 5.6155 LDB: ============= START OF LOAD BALANCING ============== 2805.85 LDB: ============== END OF LOAD BALANCING =============== 2805.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2805.85 LDB: ============= START OF LOAD BALANCING ============== 2806.16 LDB: Largest compute 6972 load 0.031761 is 16.3% of average load 0.195065 LDB: Average compute 0.004395 is 2.3% of average load 0.195065 LDB: TIME 2806.16 LOAD: AVG 0.195065 MAX 0.216836 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.98 MB LDB: TIME 2806.17 LOAD: AVG 0.195065 MAX 0.216836 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.188 MB LDB: TIME 2806.17 LOAD: AVG 0.195065 MAX 0.216836 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.188 MB LDB: ============== END OF LOAD BALANCING =============== 2806.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2806.17 PRESSURE: 896400 -111.316 -120.167 -69.7316 -120.167 -634.394 -239.101 -69.7314 -239.101 -272.648 GPRESSURE: 896400 31.7198 -98.9287 -128.906 -159.296 -649.782 -159.844 -174.188 -252.991 -309.737 PRESSAVG: 896400 69.0103 -4.159 -17.4639 -4.15901 -63.7151 -52.3001 -17.4639 -52.3 0.223807 GPRESSAVG: 896400 68.816 -4.16125 -17.6408 -5.83355 -63.3832 -51.5383 -17.2099 -52.2257 0.0905683 TIMING: 896400 CPU: 2794.01, 0.00317372/step Wall: 2794.01, 0.00317372/step, 3.61769 hours remaining, 233.980469 MB of memory in use. ENERGY: 896400 3997.1778 20403.4590 14442.9587 254.4255 -202961.3577 2562.8154 0.0000 0.0000 51942.4175 -109358.1037 298.5138 -161300.5212 -109007.0587 298.2516 -339.4529 -309.2667 763697.9375 1.8397 1.8411 PRESSURE: 896600 160.622 -121.577 0.783504 -121.577 -289.187 90.2066 0.78422 90.2076 188.963 GPRESSURE: 896600 147.899 -102.568 -20.2212 -93.4525 -161.333 124.434 -62.2318 2.86756 166.869 PRESSAVG: 896600 20.2479 1.82879 -12.4299 1.8288 -46.3353 21.4694 -12.4298 21.4694 -9.982 GPRESSAVG: 896600 19.9082 0.833026 -11.8825 5.97545 -45.7719 21.4431 -12.4267 23.7176 -9.64914 TIMING: 896600 CPU: 2794.63, 0.00310775/step Wall: 2794.63, 0.00310775/step, 3.54232 hours remaining, 234.183594 MB of memory in use. ENERGY: 896600 3900.9000 20603.5319 14509.0948 241.2173 -203298.8256 2851.7711 0.0000 0.0000 51892.6946 -109299.6158 298.2280 -161192.3104 -108939.9836 298.8068 20.1326 51.1452 762886.8717 -12.0231 -11.8376 PRESSURE: 896800 305.939 36.8384 23.5946 36.8384 99.5604 -79.4202 23.5946 -79.4204 61.5654 GPRESSURE: 896800 324.276 140.356 58.0982 24.7825 161.78 -4.83025 -7.41914 -171.519 61.8079 PRESSAVG: 896800 67.3203 37.9185 -22.2649 37.9184 -29.1608 -22.5142 -22.2649 -22.5142 -3.1839 GPRESSAVG: 896800 67.7166 37.0216 -23.8625 36.7177 -30.2065 -24.1865 -20.3661 -23.976 -2.59695 TIMING: 896800 CPU: 2795.25, 0.00309964/step Wall: 2795.25, 0.00309964/step, 3.5329 hours remaining, 234.183594 MB of memory in use. ENERGY: 896800 4001.9748 20356.7007 14453.0409 227.5282 -203092.0559 2761.6639 0.0000 0.0000 52011.9237 -109279.2239 298.9132 -161291.1475 -108917.6277 298.2977 155.6882 182.6210 763367.0285 11.6585 11.6377 PRESSURE: 897000 -111.337 5.19619 124.978 5.19619 -94.835 -74.121 124.978 -74.1203 102.927 GPRESSURE: 897000 -109.499 90.7231 136.224 -53.2844 -141.991 -137.74 92.4962 -70.6585 218.374 PRESSAVG: 897000 32.9438 -4.21548 28.9082 -4.21544 -37.9314 -73.0314 28.9082 -73.0314 4.71279 GPRESSAVG: 897000 32.3997 -2.81267 30.0945 -4.94451 -37.2208 -73.3631 24.9729 -72.5482 4.61734 TIMING: 897000 CPU: 2795.87, 0.00311104/step Wall: 2795.87, 0.00311104/step, 3.54572 hours remaining, 234.183594 MB of memory in use. ENERGY: 897000 4082.6311 20478.7892 14441.4377 245.2139 -202733.6383 2484.7747 0.0000 0.0000 51753.2147 -109247.5769 297.4264 -161000.7917 -108885.1344 298.3605 -34.4152 -11.0385 763542.7954 -0.0916 -0.0679 PRESSURE: 897200 163.769 -52.4894 52.1892 -52.4897 -186.421 115.848 52.1895 115.848 14.1564 GPRESSURE: 897200 155.454 -73.7273 -5.64897 -113.816 -131.234 148.163 136.489 38.613 39.0964 PRESSAVG: 897200 41.0995 -12.7652 30.2736 -12.7652 5.87607 -12.0246 30.2736 -12.0246 20.7547 GPRESSAVG: 897200 41.849 -15.2573 30.6647 -8.08996 6.33873 -10.9361 30.943 -11.3384 19.3438 TIMING: 897200 CPU: 2796.49, 0.0031207/step Wall: 2796.49, 0.0031207/step, 3.55655 hours remaining, 234.183594 MB of memory in use. ENERGY: 897200 4016.7518 20591.6465 14395.5559 259.2300 -203147.0965 2799.6297 0.0000 0.0000 52027.8075 -109056.4750 299.0045 -161084.2825 -108689.8391 298.6123 -2.8318 21.1052 764333.9374 22.5767 22.5105 PRESSURE: 897400 -318.407 176.064 -128.098 176.065 -95.9348 -65.1975 -128.098 -65.197 -136.308 GPRESSURE: 897400 -271.266 122.561 -164.7 62.3503 -103.684 29.6763 -137.486 16.386 -89.8468 PRESSAVG: 897400 79.0404 -26.2291 -11.3932 -26.229 -52.8965 10.1246 -11.3932 10.1247 -13.7269 GPRESSAVG: 897400 79.1561 -25.1828 -11.7656 -31.7182 -53.2906 11.389 -10.8461 10.6559 -13.1355 TIMING: 897400 CPU: 2797.12, 0.00313669/step Wall: 2797.12, 0.00313669/step, 3.57461 hours remaining, 234.183594 MB of memory in use. ENERGY: 897400 3994.8663 20510.1877 14445.1694 256.2778 -202973.0413 2707.8765 0.0000 0.0000 52014.6462 -109044.0174 298.9289 -161058.6636 -108683.1142 299.0837 -183.5501 -154.9325 763313.6322 4.1390 4.2433 PRESSURE: 897600 -206.54 -67.7312 268.716 -67.7314 147.884 -108.685 268.716 -108.686 -26.6413 GPRESSURE: 897600 -202.023 -97.8363 212.888 -106.55 199.565 -115.124 194.696 -154.288 -1.3077 PRESSAVG: 897600 -6.64166 10.2819 25.4704 10.2819 32.6241 -24.9723 25.4704 -24.9724 -9.49651 GPRESSAVG: 897600 -7.29835 9.86044 25.9383 12.7378 32.1199 -25.5951 23.9036 -26.3206 -8.7084 TIMING: 897600 CPU: 2797.75, 0.00311905/step Wall: 2797.75, 0.00311905/step, 3.55433 hours remaining, 234.183594 MB of memory in use. ENERGY: 897600 4009.8972 20604.9841 14414.0681 240.1470 -203553.4125 2946.9254 0.0000 0.0000 52180.5980 -109156.7927 299.8826 -161337.3907 -108797.0626 298.9650 -28.4327 -1.2550 762667.3474 5.4953 5.3710 PRESSURE: 897800 -205.618 88.981 333.162 88.9813 23.4105 -116.783 333.162 -116.783 39.5109 GPRESSURE: 897800 -88.9112 154.145 247.949 146.352 17.9922 -90.2636 329.955 -40.6071 4.06393 PRESSAVG: 897800 5.94567 49.4891 60.3821 49.4891 -26.0108 -20.7467 60.3821 -20.7467 2.08676 GPRESSAVG: 897800 5.74111 49.9107 59.1053 48.8434 -25.472 -22.1723 60.9249 -21.8769 1.21778 TIMING: 897800 CPU: 2798.37, 0.00311961/step Wall: 2798.37, 0.00311961/step, 3.55479 hours remaining, 234.183594 MB of memory in use. ENERGY: 897800 4079.2378 20533.3745 14452.6323 239.1705 -202893.3925 2506.0511 0.0000 0.0000 51952.4086 -109130.5177 298.5712 -161082.9264 -108766.4646 298.9945 -47.5656 -22.2850 765104.6536 -5.9928 -6.1710 PRESSURE: 898000 222.678 34.4138 -280.289 34.4142 -59.5625 -38.059 -280.289 -38.0581 339.221 GPRESSURE: 898000 228.569 -40.2777 -266.023 79.2411 -9.14866 -96.4832 -240.61 -35.4836 363.265 PRESSAVG: 898000 19.5575 -2.84449 -26.9933 -2.84455 -17.6633 -9.25985 -26.9932 -9.25985 1.00472 GPRESSAVG: 898000 19.24 -1.31144 -25.8635 -1.93235 -17.7908 -9.01221 -26.2574 -8.03633 1.45958 TIMING: 898000 CPU: 2798.99, 0.00310899/step Wall: 2798.99, 0.00310899/step, 3.54252 hours remaining, 234.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 898000 3911.8768 20423.2826 14443.4326 248.5392 -203484.1827 3049.3187 0.0000 0.0000 52173.8722 -109233.8606 299.8440 -161407.7328 -108866.7202 298.3251 167.4456 194.2284 762956.4278 0.9663 0.9696 PRESSURE: 898200 -85.0564 48.9554 -143.782 48.9564 -162.258 -299.756 -143.782 -299.757 92.7503 GPRESSURE: 898200 -90.9256 -19.1634 -125.853 -65.7327 -38.6436 -343.88 -106.532 -269.671 48.7577 PRESSAVG: 898200 37.8997 37.012 2.43986 37.012 11.3856 -16.8907 2.43991 -16.8907 17.0665 GPRESSAVG: 898200 37.5165 35.3141 1.12964 36.3882 12.0581 -16.3646 2.96132 -17.6681 16.7762 TIMING: 898200 CPU: 2799.61, 0.0031139/step Wall: 2799.61, 0.00311389/step, 3.54794 hours remaining, 234.183594 MB of memory in use. ENERGY: 898200 4056.2746 20393.2049 14428.1043 235.2149 -202998.4236 2849.5912 0.0000 0.0000 52008.7063 -109027.3274 298.8947 -161036.0337 -108668.0801 299.0903 -51.5216 -26.9372 762880.9734 22.1173 22.1169 PRESSURE: 898400 171.745 35.561 73.9583 35.5611 -1.57466 167.332 73.9583 167.332 164.706 GPRESSURE: 898400 280.65 22.5738 42.9161 114.629 -34.1365 161.37 -61.498 252.207 176.26 PRESSAVG: 898400 -5.68805 15.7806 -13.2783 15.7806 4.01187 -31.3718 -13.2783 -31.3718 -9.06934 GPRESSAVG: 898400 -4.42576 14.9695 -13.6409 16.5237 3.46145 -32.1098 -15.8676 -30.857 -9.42849 TIMING: 898400 CPU: 2800.24, 0.00313909/step Wall: 2800.24, 0.00313909/step, 3.57648 hours remaining, 234.183594 MB of memory in use. ENERGY: 898400 3928.4312 20423.0258 14383.3931 243.1975 -203219.2563 2845.5879 0.0000 0.0000 52221.4115 -109174.2092 300.1172 -161395.6207 -108819.6362 299.3840 111.6255 140.9245 763141.6967 -3.5818 -3.4643 PRESSURE: 898600 -300.953 182.738 -6.025 182.737 -28.8857 -72.0045 -6.02516 -72.0035 31.7338 GPRESSURE: 898600 -215.688 99.1093 -6.29112 86.4815 -69.7824 -134.578 -7.33661 -161.397 70.7327 PRESSAVG: 898600 41.1107 -2.45124 -46.9342 -2.45127 -39.38 -66.9935 -46.9342 -66.9935 -15.9362 GPRESSAVG: 898600 40.1944 -1.59209 -45.3119 -5.26212 -40.4307 -67.3054 -46.9163 -66.6323 -14.384 TIMING: 898600 CPU: 2800.87, 0.00313968/step Wall: 2800.87, 0.00313968/step, 3.57697 hours remaining, 234.183594 MB of memory in use. ENERGY: 898600 3887.5857 20292.1682 14402.8981 255.0458 -203429.7944 3110.9849 0.0000 0.0000 52066.0217 -109415.0900 299.2241 -161481.1117 -109059.2918 298.3031 -99.3682 -71.5792 762931.8014 -4.7352 -4.8734 PRESSURE: 898800 -241.767 55.6803 -68.2175 55.6801 -180.742 8.32363 -68.2177 8.32372 243.163 GPRESSURE: 898800 -217.236 7.61281 -136.053 21.6749 -55.0314 47.9056 -157.989 -9.67551 197.832 PRESSAVG: 898800 49.2723 -26.8316 2.24679 -26.8315 -79.6811 -62.0614 2.24674 -62.0614 -20.5304 GPRESSAVG: 898800 49.8513 -27.1734 0.916583 -26.1736 -78.1101 -61.7716 4.37578 -63.7551 -22.5385 TIMING: 898800 CPU: 2801.49, 0.00311654/step Wall: 2801.49, 0.00311654/step, 3.55043 hours remaining, 234.183594 MB of memory in use. ENERGY: 898800 3926.8814 20336.1361 14434.5470 252.5863 -202668.5524 2555.7123 0.0000 0.0000 51820.6107 -109342.0786 297.8138 -161162.6893 -108975.5287 298.0104 -59.7820 -24.8121 763616.6794 -16.9797 -16.9324 PRESSURE: 899000 -25.0689 -118.984 48.6351 -118.984 -207.196 -18.1007 48.6351 -18.102 71.1356 GPRESSURE: 899000 23.9687 -109.643 20.3081 -129.833 -204.479 -27.494 58.469 -31.5949 108.892 PRESSAVG: 899000 38.0284 -14.1548 -28.0551 -14.1548 -36.9409 -6.78491 -28.0551 -6.78499 -4.51842 GPRESSAVG: 899000 37.3535 -14.9567 -28.1169 -13.12 -38.4503 -5.21649 -30.0565 -6.09054 -2.91323 TIMING: 899000 CPU: 2802.12, 0.00313233/step Wall: 2802.12, 0.00313233/step, 3.56825 hours remaining, 234.183594 MB of memory in use. ENERGY: 899000 3983.3125 20506.5724 14380.1298 243.7801 -203385.3040 2970.3901 0.0000 0.0000 52106.1750 -109194.9441 299.4549 -161301.1191 -108841.4430 298.5578 -53.7099 -23.8728 763032.3760 -1.1437 -1.3367 PRESSURE: 899200 -310.178 17.4919 115.194 17.4911 -85.8991 -296.596 115.194 -296.595 -424.787 GPRESSURE: 899200 -333 107.448 115.86 32.5495 -3.37762 -194.696 123.13 -241.571 -395.503 PRESSAVG: 899200 18.7345 10.5133 28.9787 10.5134 -3.374 -68.4731 28.9786 -68.4731 1.76008 GPRESSAVG: 899200 18.9691 11.9152 28.9543 10.7804 -3.15797 -68.2444 30.0659 -68.0795 1.4312 TIMING: 899200 CPU: 2802.75, 0.00314792/step Wall: 2802.75, 0.00314792/step, 3.58583 hours remaining, 234.183594 MB of memory in use. ENERGY: 899200 4038.3708 20619.6427 14390.8924 253.3326 -202913.9600 2540.6631 0.0000 0.0000 51821.8232 -109249.2352 297.8207 -161071.0583 -108885.7261 298.5996 -273.6214 -243.9601 763224.5947 5.7069 5.7474 PRESSURE: 899400 -517.206 41.6292 -224.13 41.6293 -250.375 190.203 -224.129 190.203 25.8195 GPRESSURE: 899400 -417.466 138.952 -283.131 20.0083 -224.532 138.477 -247.178 104.513 -39.0473 PRESSAVG: 899400 53.0047 31.3531 -45.4988 31.3532 -17.9714 2.39757 -45.4988 2.39759 14.6484 GPRESSAVG: 899400 52.6552 30.8856 -46.8151 33.1446 -17.1092 0.420118 -45.5636 2.13881 14.619 TIMING: 899400 CPU: 2803.37, 0.00312455/step Wall: 2803.37, 0.00312455/step, 3.55903 hours remaining, 234.183594 MB of memory in use. ENERGY: 899400 3980.8969 20453.9591 14445.7526 249.3297 -202870.7542 2544.5554 0.0000 0.0000 52102.2776 -109093.9829 299.4325 -161196.2605 -108727.3489 298.5199 -247.2540 -227.0149 763452.9961 16.5606 16.7216 PRESSURE: 899600 86.7562 412.737 7.92535 412.737 66.4855 -101.935 7.92461 -101.936 -84.7097 GPRESSURE: 899600 155.053 332.05 33.1453 384.96 69.5536 -37.0978 45.5479 -80.7755 -77.7947 PRESSAVG: 899600 -39.8794 22.0967 13.5874 22.0967 -7.10614 -13.4992 13.5874 -13.4993 -16.8412 GPRESSAVG: 899600 -39.6889 22.215 14.8504 19.5634 -6.84717 -13.4356 12.5356 -13.4348 -17.7562 TIMING: 899600 CPU: 2804, 0.00311101/step Wall: 2804, 0.00311101/step, 3.54344 hours remaining, 234.183594 MB of memory in use. ENERGY: 899600 3941.2467 20452.4265 14421.5535 257.4723 -203538.8083 3130.5359 0.0000 0.0000 52054.7241 -109280.8493 299.1592 -161335.5734 -108914.6845 298.6279 22.8440 48.9375 762751.7343 -21.2756 -21.4307 PRESSURE: 899800 -176.329 -13.922 104.493 -13.9229 -86.8498 49.7703 104.494 49.7704 -28.1013 GPRESSURE: 899800 -171.366 -87.8381 206.721 -11.3164 -74.0555 26.1661 93.0665 0.0122966 30.8869 PRESSAVG: 899800 -8.5354 5.70408 -15.3542 5.70413 -8.41196 -31.4094 -15.3542 -31.4095 1.36373 GPRESSAVG: 899800 -7.7826 4.84128 -13.7281 6.85165 -9.71475 -31.0159 -13.4797 -30.0865 1.55449 TIMING: 899800 CPU: 2804.62, 0.00313478/step Wall: 2804.62, 0.00313478/step, 3.57035 hours remaining, 234.183594 MB of memory in use. ENERGY: 899800 4055.2734 20538.0136 14456.8236 252.9381 -203530.9287 3024.2521 0.0000 0.0000 52007.6133 -109196.0145 298.8885 -161203.6278 -108841.6126 298.7374 -97.0934 -71.5116 763281.4112 -5.1945 -5.3143 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 900000 WRITING COORDINATES TO RESTART FILE AT STEP 900000 FINISHED WRITING RESTART COORDINATES The last position output (seq=900000) takes 0.014 seconds, 234.184 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 900000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 900000 -381.701 -143.919 120.609 -143.919 -202.801 -214.17 120.609 -214.169 -98.3519 GPRESSURE: 900000 -250.145 -32.9807 110.52 -39.6728 -196 -202.694 40.773 -168.449 -146.134 PRESSAVG: 900000 12.1191 17.9566 3.75261 17.9565 -4.70202 -40.5586 3.75259 -40.5588 11.2785 GPRESSAVG: 900000 10.464 18.6925 2.4227 17.4262 -4.58693 -39.621 1.74764 -41.7005 12.8768 TIMING: 900000 CPU: 2805.27, 0.00324998/step Wall: 2805.27, 0.00324998/step, 3.70137 hours remaining, 234.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 900000 3966.5011 20498.2119 14343.4022 238.7745 -202746.6628 2465.6772 0.0000 0.0000 51769.1027 -109464.9933 297.5177 -161234.0960 -109098.7202 298.3408 -227.6179 -197.4267 763726.4823 6.2319 6.2513 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 900000 PRESSURE: 900200 -343.471 -58.4283 43.8666 -58.4279 -123.592 3.05211 43.8667 3.05243 -326.087 GPRESSURE: 900200 -384.545 2.45351 167.81 -24.4206 -55.4465 31.4434 -17.1062 -9.40249 -280.909 PRESSAVG: 900200 -41.3332 2.74999 30.3377 2.75 48.1487 -28.7663 30.3376 -28.7662 21.6796 GPRESSAVG: 900200 -40.3472 3.13707 29.9934 3.30349 47.8639 -29.6517 32.2379 -29.0049 20.4416 TIMING: 900200 CPU: 2805.9, 0.00313583/step Wall: 2805.9, 0.00313583/step, 3.57119 hours remaining, 234.183594 MB of memory in use. ENERGY: 900200 3981.1635 20456.3954 14413.7430 251.5483 -203526.8141 2915.2084 0.0000 0.0000 52110.8622 -109397.8934 299.4818 -161508.7556 -109026.4884 297.7112 -264.3832 -240.3003 764230.4214 9.4984 9.3194 LDB: ============= START OF LOAD BALANCING ============== 2818.38 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2818.38 LDB: =============== DONE WITH MIGRATION ================ 2818.38 LDB: ============= START OF LOAD BALANCING ============== 2818.69 LDB: Largest compute 7059 load 0.031181 is 16.0% of average load 0.194959 LDB: Average compute 0.004386 is 2.2% of average load 0.194959 LDB: TIME 2818.7 LOAD: AVG 0.194959 MAX 0.215541 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.523 MB LDB: TIME 2818.7 LOAD: AVG 0.194959 MAX 0.215541 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.723 MB LDB: TIME 2818.7 LOAD: AVG 0.194959 MAX 0.215541 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.723 MB LDB: ============== END OF LOAD BALANCING =============== 2818.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2818.7 PRESSURE: 900400 -191.544 -93.3319 -148.112 -93.3324 -275.137 73.6494 -148.111 73.6495 -176.634 GPRESSURE: 900400 -250.421 -49.6774 -87.5655 -73.2107 -196.647 34.3004 -187.425 237.566 -120.853 PRESSAVG: 900400 -16.0404 -30.4979 62.4715 -30.498 19.9031 -5.46347 62.4716 -5.4635 -9.40477 GPRESSAVG: 900400 -14.9366 -30.2071 64.4476 -28.356 19.3956 -6.12033 62.6509 -5.36987 -10.0249 TIMING: 900400 CPU: 2806.54, 0.00318919/step Wall: 2806.54, 0.00318919/step, 3.63178 hours remaining, 235.265625 MB of memory in use. ENERGY: 900400 4062.4823 20667.3179 14439.3419 234.4419 -203485.0788 2856.5181 0.0000 0.0000 51870.7656 -109354.2111 298.1020 -161224.9767 -108993.0890 298.5417 -214.4383 -189.3069 763365.0056 -1.8474 -1.8553 PRESSURE: 900600 -20.5253 213.718 -233.874 213.718 -48.9478 76.0224 -233.874 76.0224 -116.625 GPRESSURE: 900600 75.9484 257.768 -207.429 141.166 -18.3174 46.233 -101.721 -25.9534 -154.938 PRESSAVG: 900600 47.0499 17.5208 13.87 17.5207 -64.7911 -29.3861 13.87 -29.3863 9.23915 GPRESSAVG: 900600 45.7152 18.8894 11.9319 15.775 -64.1594 -29.1174 12.4223 -30.0279 10.4753 TIMING: 900600 CPU: 2807.16, 0.00311692/step Wall: 2807.16, 0.00311692/step, 3.5493 hours remaining, 235.468750 MB of memory in use. ENERGY: 900600 4007.2215 20294.8662 14514.0640 249.7125 -203011.2254 2694.7279 0.0000 0.0000 51948.9224 -109301.7109 298.5512 -161250.6333 -108942.1129 298.7832 -62.0327 -32.4357 763847.7865 -2.8340 -2.6563 PRESSURE: 900800 -124.115 -166.566 164.539 -166.567 149.577 81.2487 164.539 81.2492 126.144 GPRESSURE: 900800 -69.5992 -161.211 68.2428 -194.374 227.339 207.741 129.063 71.2438 85.6759 PRESSAVG: 900800 18.9725 2.68956 -38.7949 2.68949 -14.1277 -4.18415 -38.7949 -4.18419 2.53325 GPRESSAVG: 900800 18.8173 2.29592 -39.2889 4.04993 -14.2882 -3.7261 -37.2313 -4.64308 2.41852 TIMING: 900800 CPU: 2807.79, 0.00312248/step Wall: 2807.79, 0.00312248/step, 3.55546 hours remaining, 235.468750 MB of memory in use. ENERGY: 900800 3993.3694 20416.0155 14411.6145 224.9038 -203510.9348 2978.9707 0.0000 0.0000 51991.6095 -109494.4514 298.7965 -161486.0610 -109124.0382 298.5122 50.5353 81.1385 763244.4275 2.4594 2.3159 PRESSURE: 901000 -186.997 67.2685 112.362 67.2684 -273.185 -238.212 112.361 -238.212 -110.098 GPRESSURE: 901000 -133.928 92.2651 106.954 53.2014 -302.466 -260.143 5.9789 -331.466 -75.0237 PRESSAVG: 901000 21.3317 -29.4041 -39.785 -29.4041 7.93484 -16.0272 -39.7851 -16.0272 -7.57263 GPRESSAVG: 901000 21.4569 -29.2061 -39.3474 -31.2376 7.98662 -16.4803 -41.2509 -15.0696 -8.02599 TIMING: 901000 CPU: 2808.41, 0.00312829/step Wall: 2808.41, 0.00312829/step, 3.5619 hours remaining, 235.468750 MB of memory in use. ENERGY: 901000 3982.1472 20532.8274 14430.6960 243.9620 -203142.5626 2555.9691 0.0000 0.0000 51811.3544 -109585.6065 297.7606 -161396.9609 -109232.8384 298.5281 -190.0932 -170.4727 763015.9937 7.2313 7.1392 PRESSURE: 901200 -58.7635 50.5007 -213.465 50.5006 306.144 203.216 -213.465 203.216 -57.1002 GPRESSURE: 901200 30.4378 41.1413 -164.337 46.7168 227.342 166.292 -269.009 107.451 2.90087 PRESSAVG: 901200 -31.4731 1.55378 -33.71 1.55381 -18.434 -14.9508 -33.71 -14.9507 -0.449242 GPRESSAVG: 901200 -32.4538 0.191385 -33.7748 1.53509 -17.8854 -15.5505 -33.8417 -15.0531 0.150526 TIMING: 901200 CPU: 2809.04, 0.00312034/step Wall: 2809.04, 0.00312035/step, 3.55269 hours remaining, 235.468750 MB of memory in use. ENERGY: 901200 4018.3913 20420.4702 14493.6017 230.2974 -203671.9691 3182.9385 0.0000 0.0000 51768.0719 -109558.1980 297.5118 -161326.2698 -109193.3484 297.9602 63.4269 86.8935 763448.8623 -16.7855 -16.7295 PRESSURE: 901400 -127.8 -144.807 -300.054 -144.806 -7.66793 -10.5858 -300.054 -10.5857 -11.6611 GPRESSURE: 901400 -73.4132 -73.7267 -286.286 -165.687 30.7642 0.272623 -238.796 -104.843 -36.0359 PRESSAVG: 901400 3.73697 -53.3358 -37.9654 -53.3358 46.6114 -8.77697 -37.9654 -8.77706 35.5048 GPRESSAVG: 901400 4.53278 -51.241 -36.1052 -52.2005 47.2229 -7.65258 -36.3996 -8.10902 34.5553 TIMING: 901400 CPU: 2809.66, 0.00312534/step Wall: 2809.66, 0.00312534/step, 3.5582 hours remaining, 235.468750 MB of memory in use. ENERGY: 901400 3988.1396 20433.7877 14415.1349 231.5802 -203117.0959 2757.3327 0.0000 0.0000 51919.5285 -109371.5922 298.3822 -161291.1208 -109001.4153 298.7033 -49.0430 -26.2283 763912.2797 28.6177 28.7704 PRESSURE: 901600 -59.4604 -69.3468 -75.2525 -69.347 -362.952 5.05003 -75.2532 5.04915 -34.3418 GPRESSURE: 901600 -75.4179 -124.788 -22.9253 0.356563 -220.408 14.2873 -62.6732 63.8026 -73.9635 PRESSAVG: 901600 -52.2957 -88.9598 -37.819 -88.9597 23.4078 -0.399339 -37.8191 -0.39934 -22.7292 GPRESSAVG: 901600 -51.9947 -91.267 -39.0141 -90.5724 22.9604 -0.18025 -39.1781 -1.73104 -22.5927 TIMING: 901600 CPU: 2810.28, 0.00311853/step Wall: 2810.28, 0.00311853/step, 3.55027 hours remaining, 235.468750 MB of memory in use. ENERGY: 901600 3975.1975 20420.0090 14436.7050 230.8783 -203208.7398 2736.6187 0.0000 0.0000 51932.7245 -109476.6066 298.4581 -161409.3311 -109110.6325 298.3989 -152.2515 -123.2631 762770.0634 -17.2057 -17.2090 PRESSURE: 901800 259.821 -222.518 -264.861 -222.518 41.9895 79.8455 -264.861 79.8448 387.342 GPRESSURE: 901800 263.537 -55.5279 -139.267 -203.342 17.8305 114.286 -167.771 -11.9026 507.698 PRESSAVG: 901800 62.8795 -54.9523 38.1173 -54.9524 -24.2941 28.6408 38.1173 28.6409 -13.9578 GPRESSAVG: 901800 62.9735 -53.5529 37.8839 -54.3646 -25.0233 28.8324 38.3722 27.586 -12.8599 TIMING: 901800 CPU: 2810.91, 0.00311481/step Wall: 2810.91, 0.00311481/step, 3.54586 hours remaining, 235.468750 MB of memory in use. ENERGY: 901800 3964.7143 20435.6581 14498.7698 258.6576 -203679.6679 2958.5418 0.0000 0.0000 51935.4416 -109627.8847 298.4737 -161563.3263 -109271.8133 298.3103 229.7174 263.0218 761791.4099 8.2092 8.3634 PRESSURE: 902000 -118.009 -85.8846 150.712 -85.8844 -91.508 -64.3348 150.712 -64.3342 13.8461 GPRESSURE: 902000 -124.985 -157.793 185.937 -70.2659 15.1734 38.9433 165.991 -192.257 5.47733 PRESSAVG: 902000 -24.4794 -38.8468 51.1877 -38.8468 13.5907 -12.9346 51.1876 -12.9346 -36.7295 GPRESSAVG: 902000 -25.078 -39.5056 50.9381 -38.0076 13.4344 -12.2471 50.8555 -11.9524 -36.1175 TIMING: 902000 CPU: 2811.53, 0.00311718/step Wall: 2811.53, 0.00311718/step, 3.54839 hours remaining, 235.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 902000 4034.0890 20510.6874 14425.7703 254.1116 -203438.4496 2769.1207 0.0000 0.0000 52031.2990 -109413.3716 299.0246 -161444.6706 -109058.7882 298.4405 -65.2238 -34.7779 763352.9304 -15.8728 -15.9204 PRESSURE: 902200 -318.676 -153.82 251.207 -153.82 154.394 -85.3294 251.207 -85.3301 157.197 GPRESSURE: 902200 -351.57 -156.625 193.367 -147.158 258.681 -163.581 240.047 83.6732 162.956 PRESSAVG: 902200 14.1368 -16.7376 44.1691 -16.7377 39.9053 7.83685 44.169 7.83683 4.12836 GPRESSAVG: 902200 13.3593 -14.8763 45.1611 -17.3885 41.9796 6.2376 44.287 8.8086 2.49007 TIMING: 902200 CPU: 2812.16, 0.00316067/step Wall: 2812.16, 0.00316067/step, 3.59772 hours remaining, 235.468750 MB of memory in use. ENERGY: 902200 3955.2673 20474.5400 14435.3033 233.3275 -203022.2964 2703.2576 0.0000 0.0000 51707.8012 -109512.7994 297.1654 -161220.6007 -109150.7693 298.0696 -2.3615 23.3554 764148.3821 19.3902 19.2763 PRESSURE: 902400 -150.185 -217.349 92.9383 -217.349 265.053 -117.774 92.9389 -117.773 -80.7104 GPRESSURE: 902400 -147.32 -67.7892 169.219 -251.573 266.177 -106.765 41.7296 -184.154 0.685814 PRESSAVG: 902400 -56.2347 -37.2603 -25.9079 -37.2602 32.9251 -4.95233 -25.9079 -4.95235 -11.3418 GPRESSAVG: 902400 -56.449 -39.0853 -25.4863 -36.5352 31.5519 -3.68626 -27.6167 -5.88752 -10.1628 TIMING: 902400 CPU: 2812.79, 0.00312073/step Wall: 2812.79, 0.00312073/step, 3.55208 hours remaining, 235.468750 MB of memory in use. ENERGY: 902400 3985.0296 20436.9393 14411.7798 242.5136 -203454.5365 2928.5233 0.0000 0.0000 52196.0422 -109253.7086 299.9714 -161449.7508 -108884.9811 298.6553 11.3858 39.8476 764063.7718 -11.5505 -11.6866 PRESSURE: 902600 -346.101 -2.72976 -359.427 -2.72982 -151.791 -45.7438 -359.427 -45.7448 223.48 GPRESSURE: 902600 -142.211 50.5962 -377.649 60.5287 -184.455 -50.8402 -232.403 -20.0081 119.262 PRESSAVG: 902600 48.051 -26.1034 20.8853 -26.1035 -41.1329 -19.7627 20.8853 -19.7627 -4.65416 GPRESSAVG: 902600 49.2043 -25.172 19.7615 -27.9468 -42.3412 -20.4753 24.3254 -18.5767 -4.75117 TIMING: 902600 CPU: 2813.41, 0.00311094/step Wall: 2813.41, 0.00311094/step, 3.54076 hours remaining, 235.468750 MB of memory in use. ENERGY: 902600 4055.2650 20563.2244 14499.0155 250.5742 -203495.4514 2892.6300 0.0000 0.0000 52047.0432 -109187.6992 299.1151 -161234.7424 -108828.0402 299.1018 -91.4706 -69.1346 763320.5535 0.7546 0.7040 PRESSURE: 902800 150.04 107.602 -193.256 107.602 276.725 78.7736 -193.256 78.7731 -49.7828 GPRESSURE: 902800 139.306 44.8865 -161.675 55.3537 257.005 14.878 -165.693 255.205 45.4356 PRESSAVG: 902800 24.2639 6.46865 -23.8317 6.46865 -27.5431 30.9081 -23.8316 30.9081 -41.388 GPRESSAVG: 902800 23.9799 3.53673 -24.4664 7.35173 -26.8927 31.5312 -25.2121 32.381 -41.5699 TIMING: 902800 CPU: 2814.03, 0.00311998/step Wall: 2814.03, 0.00311998/step, 3.55089 hours remaining, 235.468750 MB of memory in use. ENERGY: 902800 4006.7402 20606.4618 14379.2815 269.3375 -203313.8646 3064.7422 0.0000 0.0000 51924.0433 -109063.2580 298.4082 -160987.3013 -108708.3487 299.0998 125.6608 147.2487 764616.1217 -14.8891 -14.8276 PRESSURE: 903000 13.3432 7.34314 16.583 7.34397 -166.915 58.146 16.5834 58.1455 146.373 GPRESSURE: 903000 76.578 -36.0829 -23.2272 -31.6722 -133.041 117.784 98.9456 117.953 133.3 PRESSAVG: 903000 37.7438 3.90868 -36.0087 3.9087 -5.66493 -26.8342 -36.0086 -26.8343 4.15484 GPRESSAVG: 903000 38.9538 3.58954 -35.9095 5.66759 -5.11375 -27.6478 -36.8453 -28.786 2.37736 TIMING: 903000 CPU: 2814.66, 0.00311224/step Wall: 2814.66, 0.00311224/step, 3.5419 hours remaining, 235.468750 MB of memory in use. ENERGY: 903000 3955.4855 20677.9839 14422.8970 256.9766 -202994.5232 2827.3139 0.0000 0.0000 51754.1789 -109099.6875 297.4320 -160853.8663 -108747.9598 299.1966 -2.3995 25.6124 764035.6772 12.0779 12.0725 PRESSURE: 903200 35.7336 -19.3231 -154.6 -19.3234 158.263 -105.353 -154.6 -105.351 195.706 GPRESSURE: 903200 18.6007 -146.85 -112.478 -61.1366 222.297 -162.564 -95.3347 -203.696 222.864 PRESSAVG: 903200 -2.98675 8.81649 -70.1941 8.81646 -3.99297 -42.2156 -70.194 -42.2156 28.6081 GPRESSAVG: 903200 -5.31795 9.25659 -69.3432 5.62528 -3.8662 -41.1033 -68.6542 -43.0156 30.5247 TIMING: 903200 CPU: 2815.28, 0.00312225/step Wall: 2815.28, 0.00312225/step, 3.55312 hours remaining, 235.468750 MB of memory in use. ENERGY: 903200 3985.2988 20607.0979 14484.4966 251.2206 -203690.9066 3271.3834 0.0000 0.0000 52176.0970 -108915.3124 299.8567 -161091.4094 -108549.9391 299.1198 129.9009 154.5873 762303.3881 7.2095 7.1135 PRESSURE: 903400 -277.18 12.9402 54.3488 12.9409 -65.7054 -44.0921 54.3491 -44.0915 -114.408 GPRESSURE: 903400 -274.971 -7.92469 111.968 25.4991 -50.0821 -32.8962 9.49838 0.212898 -65.1863 PRESSAVG: 903400 -54.5206 -31.2655 -6.294 -31.2654 68.1129 19.4593 -6.29401 19.4594 9.9428 GPRESSAVG: 903400 -54.9093 -31.2029 -7.67147 -29.1091 69.0887 19.6086 -7.38797 20.0711 9.06107 TIMING: 903400 CPU: 2815.9, 0.0031001/step Wall: 2815.9, 0.0031001/step, 3.52775 hours remaining, 235.468750 MB of memory in use. ENERGY: 903400 3902.4660 20625.7400 14484.2312 230.9577 -203473.6921 2920.7125 0.0000 0.0000 52138.7005 -109170.8842 299.6418 -161309.5847 -108806.0829 299.1157 -152.4311 -130.0799 763991.5191 7.8450 7.7468 PRESSURE: 903600 -288.54 98.0889 168.16 98.0889 162.857 160.204 168.159 160.203 12.8316 GPRESSURE: 903600 -203.944 48.5094 28.3271 11.0612 172.679 128.295 150.928 -4.95536 -7.6693 PRESSAVG: 903600 74.7057 16.3373 -7.17792 16.3373 -47.0573 65.3954 -7.17796 65.3954 5.06764 GPRESSAVG: 903600 74.9992 17.3066 -6.8126 13.9552 -47.5633 61.9098 -7.61439 66.1045 5.10599 TIMING: 903600 CPU: 2816.52, 0.00311398/step Wall: 2816.52, 0.00311398/step, 3.54336 hours remaining, 235.468750 MB of memory in use. ENERGY: 903600 3978.5847 20484.4040 14409.3586 269.0238 -203335.2665 3035.4521 0.0000 0.0000 52051.1378 -109107.3053 299.1386 -161158.4432 -108747.7172 298.8449 -37.6173 -12.9779 762363.9297 10.9054 10.8473 PRESSURE: 903800 307.087 -33.1493 -14.7953 -33.1498 76.6401 27.5499 -14.7965 27.5492 13.4611 GPRESSURE: 903800 338.869 -163.72 -33.7962 55.8062 116.507 43.6712 -1.04603 -40.9046 25.2752 PRESSAVG: 903800 42.0772 -3.78889 -14.7165 -3.78893 4.5647 -29.7634 -14.7166 -29.7634 41.5187 GPRESSAVG: 903800 42.7728 -4.24931 -14.2875 -0.524099 4.29842 -27.6526 -13.9232 -30.2525 42.0812 TIMING: 903800 CPU: 2817.14, 0.00310783/step Wall: 2817.14, 0.00310783/step, 3.53619 hours remaining, 235.468750 MB of memory in use. ENERGY: 903800 4049.2631 20671.2225 14402.8276 227.8565 -202892.9329 2706.9256 0.0000 0.0000 52063.8809 -108770.9568 299.2118 -160834.8377 -108413.9482 299.4587 132.3961 160.2173 762633.0584 29.3869 29.7175 PRESSURE: 904000 -207.194 27.1613 31.6766 27.1613 -4.45665 -102.147 31.6776 -102.147 -141.029 GPRESSURE: 904000 -202.338 73.1126 86.8084 -6.78502 -28.1294 -130.664 -92.0256 -53.0143 -44.8909 PRESSAVG: 904000 -22.2672 -29.4218 -123.819 -29.4218 -18.7971 -34.7186 -123.819 -34.7186 -23.6458 GPRESSAVG: 904000 -21.5869 -29.8483 -124.128 -31.4834 -19.1118 -35.3727 -124.767 -32.3317 -23.697 TIMING: 904000 CPU: 2817.77, 0.00310525/step Wall: 2817.77, 0.00310525/step, 3.53309 hours remaining, 235.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 904000 4017.2538 20436.9546 14380.8186 241.4032 -202877.8943 2879.7676 0.0000 0.0000 52200.9837 -108720.7127 299.9998 -160921.6965 -108355.7827 299.3068 -117.5598 -91.7861 764085.7018 -21.5700 -21.4652 PRESSURE: 904200 -528.97 -9.43978 -45.294 -9.43944 -405.778 83.4618 -45.2941 83.461 -525.004 GPRESSURE: 904200 -438.974 33.1458 -8.20618 -131.919 -362.341 31.7991 -59.0997 27.4625 -589.542 PRESSAVG: 904200 24.8723 -21.9135 -38.0114 -21.9136 -40.1569 51.2201 -38.0113 51.2201 -4.47907 GPRESSAVG: 904200 25.1324 -20.453 -37.05 -23.1579 -40.3332 51.9444 -38.2461 49.8343 -4.34963 TIMING: 904200 CPU: 2818.39, 0.00311547/step Wall: 2818.39, 0.00311547/step, 3.54454 hours remaining, 235.468750 MB of memory in use. ENERGY: 904200 4038.6984 20572.5478 14431.4721 243.6776 -202603.9078 2483.6271 0.0000 0.0000 52220.3029 -108613.5820 300.1108 -160833.8849 -108244.8679 300.0653 -486.5839 -463.6188 764987.6171 -6.5879 -6.5168 LDB: ============= START OF LOAD BALANCING ============== 2830.87 LDB: ============== END OF LOAD BALANCING =============== 2830.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2830.87 LDB: ============= START OF LOAD BALANCING ============== 2831.18 LDB: Largest compute 6972 load 0.031557 is 16.2% of average load 0.195027 LDB: Average compute 0.004391 is 2.3% of average load 0.195027 LDB: TIME 2831.18 LOAD: AVG 0.195027 MAX 0.21431 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.016 MB LDB: TIME 2831.18 LOAD: AVG 0.195027 MAX 0.21431 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.016 MB LDB: TIME 2831.18 LOAD: AVG 0.195027 MAX 0.21431 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.016 MB LDB: ============== END OF LOAD BALANCING =============== 2831.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2831.19 PRESSURE: 904400 -218.932 150.471 -53.9803 150.47 -114.073 108.922 -53.9805 108.922 -448.988 GPRESSURE: 904400 -122.421 195.219 25.6416 106.681 -66.2263 78.8554 -84.0059 7.04026 -504.376 PRESSAVG: 904400 64.291 -19.4962 33.977 -19.4961 -24.4147 32.7416 33.9771 32.7416 3.84503 GPRESSAVG: 904400 64.2172 -20.5816 33.372 -19.4464 -23.3367 33.0525 35.1485 30.7848 3.50285 TIMING: 904400 CPU: 2819.03, 0.00318316/step Wall: 2819.03, 0.00318316/step, 3.62138 hours remaining, 234.882812 MB of memory in use. ENERGY: 904400 4160.9144 20578.6503 14442.7884 267.6796 -203140.5223 2808.2426 0.0000 0.0000 52153.2912 -108728.9558 299.7257 -160882.2470 -108372.7651 300.2955 -260.6644 -231.0077 762102.2177 14.5738 14.7945 PRESSURE: 904600 -84.7679 -79.6793 119.714 -79.6793 52.2387 40.2624 119.714 40.2618 186.05 GPRESSURE: 904600 -49.2867 57.0188 150.242 -99.0924 108.136 114.991 171.976 113.836 172.421 PRESSAVG: 904600 7.9953 -29.4461 -5.98964 -29.4461 -8.02166 28.5962 -5.98962 28.5962 15.6274 GPRESSAVG: 904600 7.3729 -28.755 -4.50493 -29.1005 -7.94866 27.6359 -6.78556 31.3983 16.2036 TIMING: 904600 CPU: 2819.65, 0.00313094/step Wall: 2819.65, 0.00313094/step, 3.56179 hours remaining, 234.882812 MB of memory in use. ENERGY: 904600 3975.7415 20496.4661 14429.8494 260.0545 -203224.9512 2810.7366 0.0000 0.0000 52445.1181 -108806.9849 301.4028 -161252.1030 -108458.3074 300.2882 51.1737 77.0899 762260.7528 5.2004 5.2093 PRESSURE: 904800 181.942 -419.502 -64.4044 -419.501 42.4823 246.383 -64.4046 246.382 213.081 GPRESSURE: 904800 288.635 -329.217 -125.146 -281.242 17.3187 258.825 -115.789 203.874 220.578 PRESSAVG: 904800 36.6666 -13.5353 -37.6122 -13.5353 -58.2157 47.7318 -37.6123 47.7318 -9.75663 GPRESSAVG: 904800 38.6258 -11.8854 -40.4643 -11.4866 -59.4178 48.7111 -37.0772 46.5777 -10.8808 TIMING: 904800 CPU: 2820.28, 0.0031375/step Wall: 2820.28, 0.0031375/step, 3.56909 hours remaining, 234.882812 MB of memory in use. ENERGY: 904800 3965.8917 20492.8943 14513.7082 260.9834 -203180.1906 2716.7240 0.0000 0.0000 52257.6037 -108972.3853 300.3252 -161229.9890 -108614.7517 299.9051 145.8351 175.5108 761961.0858 -10.4352 -10.5576 PRESSURE: 905000 224.403 -75.2637 -109.265 -75.2637 -75.6678 260.421 -109.265 260.42 -470.403 GPRESSURE: 905000 126.372 -87.9036 -126.379 -95.2497 -8.33 244.662 28.7411 374.217 -366.506 PRESSAVG: 905000 48.1395 -69.2636 3.53991 -69.2635 -33.7331 54.6133 3.53995 54.6133 6.61946 GPRESSAVG: 905000 46.684 -71.2146 4.00887 -68.0141 -34.1221 54.8742 4.23403 54.0125 8.03376 TIMING: 905000 CPU: 2820.9, 0.0031256/step Wall: 2820.9, 0.0031256/step, 3.55537 hours remaining, 234.882812 MB of memory in use. ENERGY: 905000 4051.4484 20595.2108 14484.9302 264.5616 -202980.8868 2536.6466 0.0000 0.0000 52003.0174 -109045.0718 298.8621 -161048.0892 -108691.1509 299.2969 -107.2224 -82.8211 764455.0273 7.0086 6.8652 PRESSURE: 905200 -114.514 86.4822 56.1953 86.482 63.5644 282.018 56.1954 282.018 156.397 GPRESSURE: 905200 -108.03 62.2163 56.6657 129.014 159.082 283.243 -13.6701 221.454 103.091 PRESSAVG: 905200 -20.0099 -46.4062 -0.929046 -46.4062 -1.81425 46.4155 -0.929076 46.4155 -1.72006 GPRESSAVG: 905200 -20.4334 -47.6943 -0.232889 -48.4774 0.525671 44.7855 -2.34921 50.1114 -3.49656 TIMING: 905200 CPU: 2821.53, 0.00312944/step Wall: 2821.53, 0.00312944/step, 3.55956 hours remaining, 234.882812 MB of memory in use. ENERGY: 905200 4038.2884 20624.0113 14467.5208 248.4379 -203206.3539 2844.7055 0.0000 0.0000 51779.6155 -109203.7745 297.5782 -160983.3900 -108842.2794 299.0581 35.1490 51.3808 763414.9955 -7.8481 -7.8014 PRESSURE: 905400 -308.292 -429.855 -28.2518 -429.855 60.8755 11.7124 -28.2518 11.7131 -161.966 GPRESSURE: 905400 -253.733 -349.169 -39.8467 -356.934 122.013 73.0119 26.209 7.23283 -171.209 PRESSAVG: 905400 -57.5443 -65.5083 42.2564 -65.5083 48.1303 65.9973 42.2564 65.9972 -10.0397 GPRESSAVG: 905400 -55.8684 -63.8823 42.8221 -65.2317 46.0456 68.7236 43.1067 62.0067 -9.7047 TIMING: 905400 CPU: 2822.15, 0.00311262/step Wall: 2822.15, 0.00311262/step, 3.54026 hours remaining, 234.882812 MB of memory in use. ENERGY: 905400 3998.7206 20620.5378 14453.9450 245.8450 -202920.7319 2563.7714 0.0000 0.0000 51900.6271 -109137.2850 298.2736 -161037.9121 -108775.4533 298.9680 -136.4607 -100.9766 763396.0986 -6.4846 -6.5092 PRESSURE: 905600 185.315 72.1339 -241.119 72.1337 205.109 -161.013 -241.118 -161.012 -307.595 GPRESSURE: 905600 163.966 45.2917 -282.356 76.8335 291.555 -202.486 -226.649 7.82539 -300.442 PRESSAVG: 905600 -47.1388 -34.4811 7.58816 -34.4812 -19.5448 -11.9484 7.58815 -11.9484 12.7423 GPRESSAVG: 905600 -49.0213 -36.3012 6.40526 -34.622 -17.3727 -13.8993 7.5265 -10.024 13.4834 TIMING: 905600 CPU: 2822.78, 0.00312417/step Wall: 2822.78, 0.00312417/step, 3.55322 hours remaining, 234.882812 MB of memory in use. ENERGY: 905600 4014.9496 20464.6807 14425.1761 242.6134 -203699.8476 3065.8865 0.0000 0.0000 52179.8472 -109306.6941 299.8783 -161486.5414 -108939.4064 299.0641 27.6100 51.6930 763594.4249 -17.9804 -17.6369 PRESSURE: 905800 -262.103 -63.357 -112.006 -63.3569 -310.352 -63.9092 -112.005 -63.9088 13.2923 GPRESSURE: 905800 -319.24 -30.8642 -43.9316 -29.1017 -208.539 -64.2285 -112.666 -120.674 39.712 PRESSAVG: 905800 -52.2584 -20.5158 -38.7272 -20.5158 53.4245 -35.9636 -38.7272 -35.9636 6.37012 GPRESSAVG: 905800 -49.7643 -19.4183 -38.8312 -20.4169 52.0177 -34.9703 -36.3084 -37.0608 5.25008 TIMING: 905800 CPU: 2823.4, 0.00312434/step Wall: 2823.4, 0.00312434/step, 3.55324 hours remaining, 234.882812 MB of memory in use. ENERGY: 905800 4080.9758 20567.9988 14522.2793 268.4809 -203494.1781 2892.0223 0.0000 0.0000 51625.5055 -109536.9155 296.6925 -161162.4210 -109182.3729 298.3112 -186.3875 -162.6889 763410.0515 2.5121 2.5012 PRESSURE: 906000 199.523 39.6556 155.953 39.6557 304.28 -312.223 155.953 -312.223 380.409 GPRESSURE: 906000 203.315 -25.0817 107.93 -7.57292 345.264 -350.876 142.783 -225.878 410.125 PRESSAVG: 906000 4.98627 -33.8685 16.3731 -33.8685 -15.4208 -30.9893 16.3732 -30.9894 22.8594 GPRESSAVG: 906000 4.44942 -34.3014 16.4023 -32.5875 -16.2645 -30.896 13.5566 -32.9812 23.792 TIMING: 906000 CPU: 2824.03, 0.00312355/step Wall: 2824.03, 0.00312355/step, 3.55217 hours remaining, 234.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 906000 4014.0235 20596.5383 14418.5858 239.2736 -203697.4088 3050.4598 0.0000 0.0000 51948.3311 -109430.1966 298.5478 -161378.5277 -109069.2836 298.2112 294.7375 319.5680 763072.8162 4.1416 3.9923 PRESSURE: 906200 39.6771 -126.577 66.8279 -126.576 -6.9036 -63.4085 66.8281 -63.4083 155.013 GPRESSURE: 906200 84.2272 -191.097 57.2905 99.6791 -24.0915 131.093 134.935 -117.271 212.554 PRESSAVG: 906200 4.21911 -30.3239 34.6107 -30.3239 -12.9496 74.6395 34.6107 74.6394 -2.03536 GPRESSAVG: 906200 4.52415 -29.6168 35.4472 -30.2346 -12.0276 74.1947 34.499 75.3658 -2.65406 TIMING: 906200 CPU: 2824.65, 0.00311466/step Wall: 2824.65, 0.00311466/step, 3.54189 hours remaining, 234.882812 MB of memory in use. ENERGY: 906200 4025.8638 20559.6424 14458.4466 259.6671 -203594.9488 2857.4127 0.0000 0.0000 51863.9948 -109569.9215 298.0631 -161433.9163 -109203.1308 298.1725 62.5954 90.8966 763489.8937 -3.5886 -3.3858 PRESSURE: 906400 225.477 -4.76996 128.662 -4.76958 104.567 166.88 128.662 166.879 78.3343 GPRESSURE: 906400 225.809 -99.7223 87.5149 -83.1645 175.538 195.274 132.875 49.239 116.981 PRESSAVG: 906400 -3.82086 -35.505 44.4216 -35.505 9.34422 55.2469 44.4216 55.247 -16.8846 GPRESSAVG: 906400 -5.63199 -36.1545 44.9726 -36.0629 9.4373 54.6947 47.2417 56.1419 -15.1682 TIMING: 906400 CPU: 2825.27, 0.00311861/step Wall: 2825.27, 0.00311861/step, 3.5462 hours remaining, 234.882812 MB of memory in use. ENERGY: 906400 4034.9973 20265.4773 14477.3329 243.4441 -203533.9100 2877.7868 0.0000 0.0000 52060.3851 -109574.4866 299.1917 -161634.8717 -109215.2276 298.2569 136.1262 172.7761 763246.4618 -3.7871 -3.7876 PRESSURE: 906600 27.27 -89.033 22.5469 -89.0333 268.884 -31.467 22.5461 -31.467 547.893 GPRESSURE: 906600 79.5759 -80.6356 104.103 -4.78137 296.521 -7.52868 72.236 108.035 541.103 PRESSAVG: 906600 -19.7593 -66.4545 64.3642 -66.4545 3.83108 -27.1254 64.3642 -27.1254 0.735698 GPRESSAVG: 906600 -17.4616 -66.7642 63.5796 -67.3378 3.991 -25.2091 62.8331 -26.3013 -1.65293 TIMING: 906600 CPU: 2825.9, 0.00311608/step Wall: 2825.9, 0.00311608/step, 3.54316 hours remaining, 234.882812 MB of memory in use. ENERGY: 906600 3939.9187 20498.3334 14509.4408 234.9499 -203911.0454 3215.6723 0.0000 0.0000 52062.9231 -109449.8072 299.2063 -161512.7302 -109089.2310 298.4108 281.3492 305.7333 763227.4965 -5.0642 -5.0412 PRESSURE: 906800 215.001 -236.912 -69.2413 -236.911 -75.3063 95.4708 -69.2413 95.4713 -102.902 GPRESSURE: 906800 145.68 -169.649 -51.5723 -191.993 26.2508 147.691 -50.7512 149.417 -52.315 PRESSAVG: 906800 -62.6502 -15.3368 8.34661 -15.3368 66.0931 15.6426 8.34666 15.6426 -3.01072 GPRESSAVG: 906800 -64.1896 -14.3871 10.3109 -15.793 66.141 12.8288 8.6033 15.5738 -2.11425 TIMING: 906800 CPU: 2826.52, 0.00311972/step Wall: 2826.52, 0.00311972/step, 3.54712 hours remaining, 234.882812 MB of memory in use. ENERGY: 906800 4077.9541 20580.0324 14505.4127 254.9810 -203562.9182 2916.1012 0.0000 0.0000 52051.1249 -109177.3118 299.1385 -161228.4367 -108818.1802 298.9850 12.2642 39.8718 764146.8610 0.1441 -0.0543 PRESSURE: 907000 27.6958 -291.313 -61.4807 -291.314 -16.1517 133.2 -61.4796 133.199 -174.959 GPRESSURE: 907000 64.356 -192.6 -172.398 -151.086 51.8107 162.308 -8.56641 58.9239 -203.457 PRESSAVG: 907000 16.9621 -2.02221 -15.1115 -2.0222 -11.7966 55.0815 -15.1114 55.0815 -2.35144 GPRESSAVG: 907000 17.5449 -3.21582 -16.1311 -0.669927 -11.9151 56.5327 -15.6324 56.0617 -2.82036 TIMING: 907000 CPU: 2827.14, 0.00311854/step Wall: 2827.14, 0.00311854/step, 3.54561 hours remaining, 234.882812 MB of memory in use. ENERGY: 907000 3919.0042 20420.5752 14468.3732 252.5879 -203231.4971 2755.4426 0.0000 0.0000 52065.4140 -109350.1000 299.2206 -161415.5140 -108973.8798 299.4011 -54.4717 -29.0968 763261.8149 0.9380 0.9365 PRESSURE: 907200 -12.9516 93.7617 -180.636 93.7607 -459.639 -53.4633 -180.637 -53.4631 -205.78 GPRESSURE: 907200 16.8985 96.9345 -100.122 11.8177 -469.791 -89.1829 -219.558 16.702 -141.826 PRESSAVG: 907200 29.0451 -5.66499 -3.01377 -5.66497 -56.9352 35.3025 -3.01368 35.3024 14.9358 GPRESSAVG: 907200 29.5136 -4.25688 -2.67655 -9.51944 -56.1093 34.439 -3.0232 35.4642 13.7279 TIMING: 907200 CPU: 2827.77, 0.00312134/step Wall: 2827.77, 0.00312134/step, 3.54862 hours remaining, 234.882812 MB of memory in use. ENERGY: 907200 4032.2517 20713.4626 14373.4445 246.1440 -203257.0425 2896.5798 0.0000 0.0000 51749.7184 -109245.4415 297.4063 -160995.1599 -108888.9147 298.5928 -226.1234 -198.2396 766071.9177 -4.3181 -4.2893 PRESSURE: 907400 -44.8724 4.05554 222.745 4.05565 -171.068 -76.0945 222.745 -76.0944 -142.287 GPRESSURE: 907400 29.9686 -79.563 172.557 97.1507 -184.604 -34.6002 192.723 -60.1987 -120.422 PRESSAVG: 907400 33.8546 25.1403 5.63075 25.1403 -46.7016 13.4214 5.63069 13.4213 11.9048 GPRESSAVG: 907400 33.1182 24.9879 3.83177 26.3548 -47.2717 14.767 6.80872 10.7226 13.3007 TIMING: 907400 CPU: 2828.39, 0.00312311/step Wall: 2828.39, 0.00312311/step, 3.55045 hours remaining, 234.882812 MB of memory in use. ENERGY: 907400 3948.9653 20424.5688 14421.3587 276.5932 -203156.6713 2750.4830 0.0000 0.0000 52215.1816 -109119.5207 300.0814 -161334.7024 -108755.7435 298.6565 -119.4094 -91.6858 764701.6402 -0.3141 -0.2843 PRESSURE: 907600 -60.2137 64.6244 87.1049 64.6238 -9.43237 -200.286 87.1042 -200.285 236.356 GPRESSURE: 907600 1.11003 23.1214 96.2657 -10.0605 8.54736 -66.1766 -73.5791 -148.848 243.52 PRESSAVG: 907600 -39.2605 24.1645 2.59749 24.1645 22.6316 85.2012 2.59749 85.2014 4.97885 GPRESSAVG: 907600 -38.7412 25.7738 3.21109 24.4096 22.4985 84.7328 1.10876 86.1025 4.59446 TIMING: 907600 CPU: 2829.02, 0.00312129/step Wall: 2829.02, 0.00312129/step, 3.54821 hours remaining, 234.882812 MB of memory in use. ENERGY: 907600 3999.8199 20591.1560 14509.0169 238.9867 -203151.6734 2649.3503 0.0000 0.0000 51981.0974 -109182.2462 298.7361 -161163.3437 -108822.0069 298.7657 55.5701 84.3926 762380.2666 -3.8834 -3.8827 PRESSURE: 907800 119.843 206.339 129.182 206.34 -277.03 107.534 129.182 107.534 203.778 GPRESSURE: 907800 139.904 191.282 225.393 128.629 -235.406 20.2771 107.06 90.2576 213.279 PRESSAVG: 907800 -17.8654 -13.1192 46.489 -13.1191 3.69663 0.962123 46.489 0.962148 6.03275 GPRESSAVG: 907800 -17.2935 -15.9228 46.3462 -12.343 3.43438 1.82656 50.1055 3.31152 5.30737 TIMING: 907800 CPU: 2829.64, 0.0031146/step Wall: 2829.64, 0.0031146/step, 3.54043 hours remaining, 234.882812 MB of memory in use. ENERGY: 907800 4016.9203 20529.9496 14470.6742 260.8430 -202959.2484 2607.6246 0.0000 0.0000 52088.1805 -108985.0562 299.3515 -161073.2367 -108631.2757 299.2609 15.5302 39.2593 764843.6332 -2.7120 -2.8506 PRESSURE: 908000 -132.73 -178.339 -302.358 -178.339 -38.1585 8.97253 -302.357 8.97191 -195.887 GPRESSURE: 908000 -35.5199 -102.982 -112.434 -189.009 -7.1264 -97.2727 -339.959 -54.6313 -252.004 PRESSAVG: 908000 0.437807 -42.9543 -24.1422 -42.9543 2.9231 -49.4392 -24.1421 -49.4392 -6.98333 GPRESSAVG: 908000 0.0255759 -41.6627 -21.8135 -42.7652 3.17907 -50.8189 -26.3804 -50.9237 -6.95437 TIMING: 908000 CPU: 2830.27, 0.00312404/step Wall: 2830.27, 0.00312403/step, 3.55099 hours remaining, 234.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 908000 3965.7982 20616.1156 14370.5367 267.1875 -203016.0398 2656.5663 0.0000 0.0000 52093.2168 -109046.6185 299.3804 -161139.8354 -108678.9907 299.1782 -122.2585 -98.2166 764043.0154 -1.2075 -1.2499 PRESSURE: 908200 304.118 226.403 -209.258 226.403 -56.4986 -100.358 -209.259 -100.358 -141.109 GPRESSURE: 908200 262.301 87.2264 -124.837 15.6927 6.91887 -148.101 -265.819 -179.011 -73.2229 PRESSAVG: 908200 -22.0127 -68.0276 18.8647 -68.0276 24.3821 -18.6003 18.8647 -18.6004 2.55838 GPRESSAVG: 908200 -22.9737 -68.485 17.9734 -68.1284 24.2539 -17.5888 17.8893 -20.0166 2.95827 TIMING: 908200 CPU: 2830.89, 0.00312422/step Wall: 2830.89, 0.00312422/step, 3.55102 hours remaining, 234.882812 MB of memory in use. ENERGY: 908200 4006.9140 20580.9587 14460.5192 246.8696 -203423.6963 3021.0430 0.0000 0.0000 52242.8875 -108864.5043 300.2406 -161107.3919 -108499.5034 299.5161 35.5033 65.3322 763029.1641 1.6426 1.4128 LDB: ============= START OF LOAD BALANCING ============== 2843.37 LDB: ============== END OF LOAD BALANCING =============== 2843.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2843.37 LDB: ============= START OF LOAD BALANCING ============== 2843.68 LDB: Largest compute 6972 load 0.032125 is 16.5% of average load 0.195004 LDB: Average compute 0.004404 is 2.3% of average load 0.195004 LDB: TIME 2843.69 LOAD: AVG 0.195004 MAX 0.212792 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.305 MB LDB: TIME 2843.69 LOAD: AVG 0.195004 MAX 0.212792 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.371 MB LDB: TIME 2843.69 LOAD: AVG 0.195004 MAX 0.212792 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.371 MB LDB: ============== END OF LOAD BALANCING =============== 2843.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2843.69 PRESSURE: 908400 -31.2821 -106.153 -68.8329 -106.153 -22.2188 -4.81099 -68.8332 -4.81029 -67.6159 GPRESSURE: 908400 36.8241 -22.5674 -124.226 -118.52 -47.6273 57.9482 -32.2963 -39.4865 -23.6129 PRESSAVG: 908400 4.64738 -6.63199 -6.35691 -6.63199 -19.0854 -31.499 -6.35691 -31.499 -5.715 GPRESSAVG: 908400 5.10792 -7.49689 -7.94797 -6.21893 -20.3643 -31.2867 -4.50298 -30.8349 -4.60981 TIMING: 908400 CPU: 2831.53, 0.00319379/step Wall: 2831.53, 0.00319379/step, 3.62992 hours remaining, 235.082031 MB of memory in use. ENERGY: 908400 4121.1820 20599.9948 14492.7375 263.7565 -203357.6318 3004.2522 0.0000 0.0000 51895.5169 -108980.1919 298.2442 -160875.7088 -108628.9205 299.3250 -40.3722 -11.4721 763833.8502 -6.7177 -6.6221 PRESSURE: 908600 48.9021 -58.7819 -224.218 -58.7818 189.733 -94.1242 -224.217 -94.1238 -93.6897 GPRESSURE: 908600 97.5545 -98.3864 -216.574 -29.1112 236.396 -31.4614 -223.874 -45.912 -104.73 PRESSAVG: 908600 27.7494 -24.4386 -10.291 -24.4386 -7.40186 -28.0892 -10.291 -28.0893 -12.9195 GPRESSAVG: 908600 27.7996 -21.3271 -9.45493 -25.1404 -7.29189 -27.7443 -10.9523 -26.6662 -13.0032 TIMING: 908600 CPU: 2832.15, 0.00312413/step Wall: 2832.15, 0.00312413/step, 3.55057 hours remaining, 235.082031 MB of memory in use. ENERGY: 908600 3895.4218 20610.4100 14367.8784 257.1993 -203639.9355 3177.1219 0.0000 0.0000 52182.0011 -109149.9031 299.8907 -161331.9042 -108786.3006 298.6540 48.3150 76.4071 763652.8854 2.4760 2.5015 PRESSURE: 908800 -102.532 -193.786 38.7206 -193.786 -146.219 -52.8254 38.7212 -52.8247 134.093 GPRESSURE: 908800 -108.683 -80.0751 3.55705 -122.966 -95.496 -82.6695 53.1024 -141.392 175.247 PRESSAVG: 908800 2.92259 26.1174 -7.50107 26.1175 -41.5806 46.2466 -7.501 46.2466 11.5123 GPRESSAVG: 908800 1.72768 24.7149 -8.76183 27.6213 -39.7488 44.5614 -7.8022 44.8808 10.5104 TIMING: 908800 CPU: 2832.78, 0.0031204/step Wall: 2832.78, 0.0031204/step, 3.54616 hours remaining, 235.082031 MB of memory in use. ENERGY: 908800 4052.2917 20456.2985 14427.7116 262.7402 -203778.4423 3100.0315 0.0000 0.0000 52239.9985 -109239.3703 300.2240 -161479.3688 -108873.8142 298.8506 -38.2195 -9.6440 763011.0366 -9.0486 -9.1702 PRESSURE: 909000 -185.332 138.089 -1.46154 138.089 144.988 157.314 -1.46212 157.315 -186.412 GPRESSURE: 909000 -81.9691 40.1458 111.503 170.083 96.3543 125.218 51.8347 280.657 -168.088 PRESSAVG: 909000 7.9562 2.95776 2.08539 2.95776 -24.8029 -10.7132 2.08539 -10.713 9.73633 GPRESSAVG: 909000 8.46303 1.83382 3.57527 3.14737 -24.5148 -9.60762 2.48847 -11.8539 8.79755 TIMING: 909000 CPU: 2833.41, 0.00314292/step Wall: 2833.41, 0.00314292/step, 3.57158 hours remaining, 235.082031 MB of memory in use. ENERGY: 909000 4023.8756 20677.2135 14425.5277 262.9174 -203698.2395 3126.4760 0.0000 0.0000 51979.1656 -109203.0636 298.7250 -161182.2292 -108831.5433 298.5402 -75.5853 -51.2344 764640.2648 -2.3701 -2.4181 PRESSURE: 909200 168.159 2.07328 -107.925 2.07319 284.1 139.085 -107.925 139.084 219.81 GPRESSURE: 909200 220.882 79.269 -75.2745 12.5664 259.775 204.741 -21.31 89.6473 237.517 PRESSAVG: 909200 10.745 2.77328 2.70595 2.77332 -12.8141 -48.3744 2.70599 -48.3744 6.2512 GPRESSAVG: 909200 11.175 4.07851 3.566 2.10026 -13.885 -48.5155 1.91677 -46.8333 6.9827 TIMING: 909200 CPU: 2834.03, 0.00313373/step Wall: 2834.03, 0.00313373/step, 3.56096 hours remaining, 235.082031 MB of memory in use. ENERGY: 909200 3942.0629 20669.2684 14366.5353 251.6873 -203566.4618 3203.7745 0.0000 0.0000 51751.2411 -109381.8923 297.4151 -161133.1334 -109020.4091 298.3418 224.0229 239.3913 764803.2528 1.3940 1.4242 PRESSURE: 909400 -419.537 86.1396 20.4861 86.14 -311.421 49.5653 20.4859 49.566 -210.258 GPRESSURE: 909400 -437.72 24.018 12.4485 82.6137 -153.402 -5.55727 -44.7525 -39.0623 -279.734 PRESSAVG: 909400 16.2714 -11.9636 23.9493 -11.9635 10.5547 -72.7837 23.9493 -72.7837 3.35597 GPRESSAVG: 909400 15.1648 -12.3438 22.499 -12.2866 11.1255 -73.1275 23.3204 -71.0762 4.53341 TIMING: 909400 CPU: 2834.66, 0.00311943/step Wall: 2834.66, 0.00311943/step, 3.54453 hours remaining, 235.082031 MB of memory in use. ENERGY: 909400 3988.5799 20614.3975 14436.1980 249.4361 -203124.8815 2645.8762 0.0000 0.0000 52078.7692 -109111.6246 299.2974 -161190.3938 -108741.5763 298.4626 -313.7385 -290.2853 764410.4566 10.0607 10.2746 PRESSURE: 909600 -271.562 16.7323 -238.056 16.7326 -134.112 -15.9241 -238.056 -15.9242 -252.879 GPRESSURE: 909600 -207.721 -53.6261 -215.051 12.5195 -105.868 -13.0767 -182.647 -49.8228 -245.969 PRESSAVG: 909600 47.4867 18.7016 -32.0886 18.7015 -12.6015 -23.2382 -32.0886 -23.2382 -12.6955 GPRESSAVG: 909600 47.4859 20.2067 -34.119 15.5963 -12.8136 -23.6948 -31.9053 -24.8384 -12.5281 TIMING: 909600 CPU: 2835.28, 0.00311224/step Wall: 2835.28, 0.00311224/step, 3.5362 hours remaining, 235.082031 MB of memory in use. ENERGY: 909600 4041.6383 20641.9157 14412.2662 240.3712 -203214.2863 2823.3890 0.0000 0.0000 52051.8495 -109002.8564 299.1427 -161054.7059 -108635.3513 299.1588 -219.5177 -186.5193 765532.3932 7.3965 7.3814 PRESSURE: 909800 -94.9086 6.45545 -28.1296 6.45459 -202.647 -172.678 -28.1298 -172.677 -221.705 GPRESSURE: 909800 -84.5289 66.497 -81.7776 44.0506 -159.965 -216.362 124.357 -228.461 -197.011 PRESSAVG: 909800 29.3934 -33.8746 -21.1804 -33.8746 -29.4034 -30.1697 -21.1804 -30.1697 19.0504 GPRESSAVG: 909800 30.2428 -33.8213 -19.2216 -33.6767 -30.0618 -30.1609 -21.9096 -31.0443 19.3771 TIMING: 909800 CPU: 2835.9, 0.00312543/step Wall: 2835.9, 0.00312543/step, 3.55101 hours remaining, 235.082031 MB of memory in use. ENERGY: 909800 3922.2239 20598.3063 14493.5842 249.3773 -203159.2926 2864.0626 0.0000 0.0000 52171.7245 -108860.0137 299.8316 -161031.7382 -108492.5315 299.8452 -173.0870 -147.1680 766343.9312 6.3468 6.5194 PRESSURE: 910000 -447.423 -160.822 143.845 -160.821 285.687 -72.4143 143.844 -72.4143 205.301 GPRESSURE: 910000 -347.476 -159.917 125.334 -101.208 318.326 -147.847 203.291 15.0611 155.522 PRESSAVG: 910000 -21.3444 -51.1212 28.3571 -51.1212 14.3144 -46.8402 28.357 -46.8402 -0.935708 GPRESSAVG: 910000 -20.7345 -51.7534 28.6907 -48.7574 14.1289 -44.2442 29.14 -46.4785 -1.45548 TIMING: 910000 CPU: 2836.53, 0.00312184/step Wall: 2836.53, 0.00312184/step, 3.54676 hours remaining, 235.082031 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: 910000 3935.3539 20592.3459 14395.4822 259.0372 -203545.4771 3214.5822 0.0000 0.0000 51991.3103 -109157.3654 298.7948 -161148.6756 -108793.7464 298.8225 14.5216 42.1237 763752.3908 -2.6553 -2.6870 PRESSURE: 910200 -219.66 3.33426 116.505 3.33424 104.946 -147.308 116.505 -147.306 -62.6449 GPRESSURE: 910200 -147.711 -65.286 45.9828 -153.646 6.39514 -170.623 172.811 -66.5062 50.5584 PRESSAVG: 910200 -12.0878 -77.8227 3.08424 -77.8228 -6.03309 27.0055 3.08424 27.0056 7.2436 GPRESSAVG: 910200 -12.852 -79.5789 2.66 -76.2721 -5.76418 25.6168 1.87236 28.7845 7.51721 TIMING: 910200 CPU: 2837.15, 0.00310103/step Wall: 2837.15, 0.00310103/step, 3.52294 hours remaining, 235.082031 MB of memory in use. ENERGY: 910200 3979.8703 20549.7222 14415.4257 256.9186 -203285.7332 3023.6626 0.0000 0.0000 51846.9177 -109213.2160 297.9649 -161060.1337 -108851.0990 298.5238 -59.1194 -30.2524 765504.7387 -3.6258 -3.6996 PRESSURE: 910400 -120.907 -1.75162 -122.005 -1.75095 133.984 -52.5689 -122.005 -52.5684 422.954 GPRESSURE: 910400 -180.708 140.798 -131.524 -42.6214 192.659 -93.6942 -165.421 -23.888 523.193 PRESSAVG: 910400 5.59778 4.92368 11.2122 4.92364 -10.5108 -37.634 11.2122 -37.6339 7.68082 GPRESSAVG: 910400 5.09797 7.88774 11.0972 1.86097 -9.67526 -38.7091 11.5973 -36.0368 7.05189 TIMING: 910400 CPU: 2837.77, 0.00310043/step Wall: 2837.77, 0.00310043/step, 3.52209 hours remaining, 235.082031 MB of memory in use. ENERGY: 910400 4009.6780 20699.3628 14375.3454 242.0441 -202898.3596 2684.6692 0.0000 0.0000 51779.0147 -109108.2453 297.5747 -160887.2600 -108765.5481 298.5479 145.3438 178.3811 765845.2236 0.9226 0.8249 PRESSURE: 910600 -430.423 -189.244 -9.89907 -189.245 -227.135 5.33847 -9.89884 5.33969 596.348 GPRESSURE: 910600 -374.032 -91.8686 -8.42439 -239.378 -164.006 -1.10065 -85.72 -22.739 544.109 PRESSAVG: 910600 -38.292 5.05437 -1.62648 5.05447 -4.46311 -40.0247 -1.62641 -40.0247 -10.0731 GPRESSAVG: 910600 -37.5852 2.30102 -2.31005 7.86067 -5.63562 -39.1798 -1.35639 -42.5119 -9.82759 TIMING: 910600 CPU: 2838.39, 0.00311812/step Wall: 2838.39, 0.00311812/step, 3.54201 hours remaining, 235.082031 MB of memory in use. ENERGY: 910600 3935.8499 20634.2019 14411.8125 233.2293 -203488.0424 3000.4203 0.0000 0.0000 52169.3505 -109103.1781 299.8180 -161272.5286 -108742.5327 298.8963 -20.4032 2.0237 765347.0223 -17.6094 -17.6828 PRESSURE: 910800 -92.5051 -3.35624 116.57 -3.35677 -108.689 -174.556 116.57 -174.557 195.92 GPRESSURE: 910800 -97.4153 7.85099 88.083 -34.4451 -74.9492 -289.443 159.682 -168.037 240.656 PRESSAVG: 910800 36.209 -23.3464 -62.1686 -23.3464 -40.2831 12.9958 -62.1686 12.9958 1.76634 GPRESSAVG: 910800 34.9538 -22.3763 -61.3763 -23.732 -39.4843 11.8558 -63.7178 12.3237 1.9212 TIMING: 910800 CPU: 2839.02, 0.00312131/step Wall: 2839.02, 0.00312131/step, 3.54547 hours remaining, 235.082031 MB of memory in use. ENERGY: 910800 3963.8855 20504.6174 14462.9114 265.3405 -202716.5031 2669.7947 0.0000 0.0000 51868.1122 -108981.8414 298.0868 -160849.9536 -108617.8836 299.1367 -1.7581 22.7640 766140.3480 -0.7693 -0.8698 PRESSURE: 911000 -518.285 -95.5456 -204.433 -95.5453 -147.273 -97.5139 -204.434 -97.5136 -95.701 GPRESSURE: 911000 -523.372 -7.55402 -157.779 16.9747 -168.458 -83.8453 -99.7212 -74.8726 6.80289 PRESSAVG: 911000 23.8332 -25.9977 -42.169 -25.9976 -48.0201 -11.1527 -42.169 -11.1526 -21.6393 GPRESSAVG: 911000 25.4844 -26.5633 -41.7578 -24.062 -50.1729 -10.2084 -42.1581 -10.3485 -21.4306 TIMING: 911000 CPU: 2839.64, 0.00311647/step Wall: 2839.64, 0.00311647/step, 3.53979 hours remaining, 235.082031 MB of memory in use. ENERGY: 911000 4046.5192 20609.1922 14512.6538 256.8598 -203164.1488 2756.5470 0.0000 0.0000 52039.5475 -108942.8293 299.0720 -160982.3768 -108580.0033 299.2308 -253.7531 -228.3426 765121.4552 -15.2754 -15.3730 PRESSURE: 911200 -567.543 -61.9617 -63.2483 -61.9611 -467.643 36.2222 -63.2483 36.2228 292.647 GPRESSURE: 911200 -490.274 -119.517 -65.6943 -21.8131 -341.568 56.4247 -110.778 101.093 187.978 PRESSAVG: 911200 22.307 -2.33007 -46.8011 -2.32997 -10.0467 29.83 -46.8011 29.83 9.99738 GPRESSAVG: 911200 21.9793 -2.94409 -48.5828 -2.36053 -9.03211 28.1893 -45.7926 30.6455 9.0968 TIMING: 911200 CPU: 2840.26, 0.00311962/step Wall: 2840.26, 0.00311962/step, 3.5432 hours remaining, 235.082031 MB of memory in use. ENERGY: 911200 4007.1011 20467.3102 14463.5475 259.5674 -202880.7644 2879.2153 0.0000 0.0000 51819.0752 -108984.9477 297.8049 -160804.0229 -108626.6549 298.6568 -247.5128 -214.6215 766749.6477 7.4192 7.3480 PRESSURE: 911400 -222.238 67.1082 102.887 67.1088 -103.723 -112.921 102.885 -112.921 -207.495 GPRESSURE: 911400 -159.883 117.66 108.262 20.0355 -125.477 -114.291 134.451 -210.603 -174.35 PRESSAVG: 911400 -62.3426 -8.87561 -56.2024 -8.87566 27.6054 44.5821 -56.2025 44.5821 8.49317 GPRESSAVG: 911400 -62.4659 -7.32725 -53.5324 -11.1404 26.692 46.7462 -57.4895 44.1729 9.5181 TIMING: 911400 CPU: 2840.89, 0.0031147/step Wall: 2840.89, 0.0031147/step, 3.53743 hours remaining, 235.082031 MB of memory in use. ENERGY: 911400 3982.8986 20330.0078 14408.4292 244.2179 -203418.0070 3039.8887 0.0000 0.0000 52158.5216 -109254.0432 299.7557 -161412.5648 -108886.7869 298.7909 -177.8184 -153.2366 764593.2090 -8.7480 -8.7519 PRESSURE: 911600 -83.8101 83.7722 -268.314 83.7712 -422.89 145.835 -268.315 145.837 -463.206 GPRESSURE: 911600 -77.4888 82.6274 -347.69 -70.7171 -402.198 74.3153 -290.493 39.3644 -414.171 PRESSAVG: 911600 -43.9072 -6.59528 -7.09666 -6.59531 -4.23652 -37.5251 -7.09674 -37.5251 -27.132 GPRESSAVG: 911600 -42.4512 -6.24064 -9.4629 -5.77775 -4.44412 -39.6424 -3.88083 -38.8658 -28.1377 TIMING: 911600 CPU: 2841.51, 0.00310201/step Wall: 2841.51, 0.00310201/step, 3.52285 hours remaining, 235.082031 MB of memory in use. ENERGY: 911600 4080.1018 20583.7097 14509.7866 257.5494 -203011.4134 2636.1883 0.0000 0.0000 51919.3360 -109024.7417 298.3811 -160944.0776 -108666.4476 298.6552 -323.3021 -297.9526 765691.2663 -25.0919 -25.0110 PRESSURE: 911800 -31.9593 134.046 -150.164 134.047 -86.643 9.03823 -150.164 9.03871 25.2856 GPRESSURE: 911800 56.4187 114.768 -118.847 90.795 -117.353 -37.3918 -11.0222 62.4635 73.0347 PRESSAVG: 911800 12.758 -17.1575 -37.1436 -17.1574 -26.775 -25.861 -37.1437 -25.8611 -16.4179 GPRESSAVG: 911800 11.7669 -17.9269 -36.7484 -18.2302 -26.7394 -24.2707 -38.9617 -23.9333 -15.8965 TIMING: 911800 CPU: 2842.13, 0.00311217/step Wall: 2842.13, 0.00311217/step, 3.53421 hours remaining, 235.082031 MB of memory in use. ENERGY: 911800 3970.9325 20452.8899 14454.4165 271.0075 -203006.2487 2978.5925 0.0000 0.0000 51922.2572 -108956.1525 298.3979 -160878.4097 -108598.0456 298.7241 -31.1055 4.0334 764251.3676 -10.1450 -10.2897 PRESSURE: 912000 37.3242 124.975 -18.3092 124.975 -191.615 15.688 -18.3095 15.6882 299.673 GPRESSURE: 912000 47.8489 170.036 -28.6041 134.745 -101.668 15.1743 119.152 137.07 274.46 PRESSAVG: 912000 76.3679 -16.4477 -35.2502 -16.4477 -16.7061 -21.7878 -35.2502 -21.7878 20.9997 GPRESSAVG: 912000 76.0092 -14.207 -35.5722 -16.5495 -16.6325 -23.0308 -35.261 -19.9912 21.3474 TIMING: 912000 CPU: 2842.75, 0.00309632/step Wall: 2842.75, 0.00309632/step, 3.51605 hours remaining, 235.082031 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: 912000 4002.8085 20400.6809 14455.2249 243.8015 -203185.2037 3086.9140 0.0000 0.0000 51902.6572 -109093.1168 298.2853 -160995.7740 -108741.0453 298.2587 48.4606 73.5471 765662.2985 26.8872 26.9081 PRESSURE: 912200 -47.4852 -146.6 71.8996 -146.6 -254.627 -154.765 71.9011 -154.766 410.655 GPRESSURE: 912200 -20.7191 -178.806 112.094 -93.4852 -204.72 -236.753 48.4971 -28.7907 413.389 PRESSAVG: 912200 58.3439 61.6995 1.9519 61.6994 -34.7106 -16.4525 1.95188 -16.4525 -8.24514 GPRESSAVG: 912200 59.638 59.5597 1.20548 61.2239 -35.1063 -15.2991 2.56122 -18.0466 -9.18825 TIMING: 912200 CPU: 2843.37, 0.00308814/step Wall: 2843.37, 0.00308814/step, 3.50658 hours remaining, 235.082031 MB of memory in use. ENERGY: 912200 3984.8561 20483.5660 14450.3031 245.8266 -203392.3505 3037.9303 0.0000 0.0000 51855.0669 -109334.8016 298.0118 -161189.8685 -108977.4675 298.4537 36.1808 62.6498 765796.3983 5.1294 5.1145 LDB: ============= START OF LOAD BALANCING ============== 2855.84 LDB: ============== END OF LOAD BALANCING =============== 2855.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2855.84 LDB: ============= START OF LOAD BALANCING ============== 2856.15 LDB: Largest compute 6985 load 0.031083 is 15.9% of average load 0.195132 LDB: Average compute 0.004371 is 2.2% of average load 0.195132 LDB: TIME 2856.16 LOAD: AVG 0.195132 MAX 0.217048 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.188 MB LDB: TIME 2856.16 LOAD: AVG 0.195132 MAX 0.217048 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.191 MB LDB: TIME 2856.16 LOAD: AVG 0.195132 MAX 0.217048 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.191 MB LDB: ============== END OF LOAD BALANCING =============== 2856.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2856.16 PRESSURE: 912400 77.9781 -325.49 56.2538 -325.49 -351.391 78.8174 56.2533 78.8164 -231.197 GPRESSURE: 912400 24.5586 -92.844 73.9056 -319.678 -365.247 152.399 66.6226 -71.0192 -88.0579 PRESSAVG: 912400 38.9815 15.0631 -9.7397 15.0631 -32.2352 -43.2642 -9.73968 -43.2642 -5.29669 GPRESSAVG: 912400 37.4895 15.8387 -11.2288 16.0579 -31.8573 -43.2876 -9.35745 -43.7622 -4.68616 TIMING: 912400 CPU: 2844, 0.00315738/step Wall: 2844, 0.00315738/step, 3.58503 hours remaining, 233.675781 MB of memory in use. ENERGY: 912400 3977.8505 20588.9585 14454.5890 237.0438 -203509.2856 3046.3429 0.0000 0.0000 51989.2807 -109215.2203 298.7831 -161204.5010 -108860.2210 298.7924 -168.2035 -142.9155 764939.9127 0.4832 0.3154 PRESSURE: 912600 -309.24 36.1643 258.539 36.1643 -465.17 -213.249 258.539 -213.249 -315.952 GPRESSURE: 912600 -288.962 89.1405 104.318 -31.4922 -469.305 -162.056 143.377 -108.836 -236.141 PRESSAVG: 912600 80.2973 -8.24974 -31.6868 -8.24974 -66.9779 -37.0656 -31.6868 -37.0656 -4.04778 GPRESSAVG: 912600 81.1418 -10.5122 -30.4892 -8.11744 -66.4555 -37.9436 -33.3413 -35.8543 -4.73306 TIMING: 912600 CPU: 2844.62, 0.00310597/step Wall: 2844.62, 0.00310597/step, 3.52648 hours remaining, 233.675781 MB of memory in use. ENERGY: 912600 4060.4087 20322.7037 14393.1588 266.2566 -202890.5888 2580.6611 0.0000 0.0000 52033.2560 -109234.1438 299.0358 -161267.3998 -108862.0884 298.5910 -363.4541 -331.4695 764973.3302 3.0905 3.3177 PRESSURE: 912800 -23.5753 24.0203 -74.2694 24.0209 -49.9866 22.4166 -74.2688 22.4177 -33.3269 GPRESSURE: 912800 -5.64361 46.3962 -50.1866 -16.2476 41.0514 -141.884 -92.5384 -31.0387 -59.0214 PRESSAVG: 912800 17.063 43.0646 -27.1344 43.0645 -41.6312 -45.6976 -27.1344 -45.6976 18.4833 GPRESSAVG: 912800 15.3303 44.4183 -26.982 40.2258 -41.618 -47.036 -29.3821 -47.1733 20.3908 TIMING: 912800 CPU: 2845.24, 0.00310375/step Wall: 2845.24, 0.00310375/step, 3.52379 hours remaining, 233.675781 MB of memory in use. ENERGY: 912800 4031.9090 20466.5637 14483.1081 265.7915 -203153.6044 2883.2097 0.0000 0.0000 51919.0648 -109103.9576 298.3796 -161023.0224 -108756.4238 298.6659 -35.6296 -7.8712 766517.1341 -2.0283 -1.9656 PRESSURE: 913000 59.758 319.039 -211.719 319.038 64.1484 81.8862 -211.717 81.8848 -231.005 GPRESSURE: 913000 76.1132 287.165 -300.702 261.756 115.378 118.215 -218.682 -141.269 -212.783 PRESSAVG: 913000 12.9425 38.6429 -3.61383 38.6429 -53.6959 5.1611 -3.61377 5.16107 0.483903 GPRESSAVG: 913000 13.8598 37.795 -1.97111 41.6074 -53.7698 6.83241 -1.19762 3.16829 -0.786971 TIMING: 913000 CPU: 2845.86, 0.00309519/step Wall: 2845.86, 0.00309519/step, 3.5139 hours remaining, 233.675781 MB of memory in use. ENERGY: 913000 3968.7775 20588.2332 14406.7280 248.8751 -203534.3954 2998.8690 0.0000 0.0000 52133.3840 -109189.5287 299.6113 -161322.9127 -108827.7865 298.8748 -35.6997 -7.0971 763215.1782 -13.4232 -13.5656 PRESSURE: 913200 -60.716 0.199173 0.16336 0.197887 -35.634 -120.257 0.162977 -120.257 -478.844 GPRESSURE: 913200 18.7872 155.315 126.383 -47.4349 -93.4751 -105.323 -15.6566 -154.667 -413.693 PRESSAVG: 913200 72.615 20.4271 -7.93845 20.4271 -47.6639 15.6783 -7.93851 15.6783 6.75947 GPRESSAVG: 913200 72.4692 20.9049 -11.9236 19.639 -46.9754 16.8187 -5.22972 15.7277 6.54978 TIMING: 913200 CPU: 2846.48, 0.00309805/step Wall: 2846.48, 0.00309805/step, 3.51698 hours remaining, 233.675781 MB of memory in use. ENERGY: 913200 3933.5068 20494.8833 14394.2070 259.7359 -203184.5611 2766.0434 0.0000 0.0000 52000.3551 -109335.8297 298.8468 -161336.1848 -108964.5978 298.7688 -191.7312 -162.7937 763989.9514 10.5702 10.6812 PRESSURE: 913400 2.75275 -29.1077 7.26858 -29.1082 -20.3075 -156.716 7.26818 -156.716 -218.227 GPRESSURE: 913400 2.76271 -25.1786 73.9614 -85.4333 -7.87752 -197.106 -102.41 -77.1488 -157.614 PRESSAVG: 913400 62.7615 -15.705 -46.3193 -15.705 -53.3818 -26.6832 -46.3194 -26.6832 10.2733 GPRESSAVG: 913400 63.5268 -14.2018 -43.724 -16.9657 -53.4998 -28.1976 -47.9534 -23.6315 9.75339 TIMING: 913400 CPU: 2847.1, 0.00309112/step Wall: 2847.1, 0.00309112/step, 3.50893 hours remaining, 233.675781 MB of memory in use. ENERGY: 913400 3999.4388 20294.6248 14416.0666 235.3015 -203306.6143 2909.3405 0.0000 0.0000 52016.7336 -109435.1085 298.9409 -161451.8421 -109063.7212 298.4610 -78.5940 -54.2430 763511.6538 6.5510 6.5935 PRESSURE: 913600 -134.094 -91.5789 55.9455 -91.5786 -131.859 106.66 55.9448 106.66 88.0991 GPRESSURE: 913600 -138.305 -150.499 -10.1596 -80.8559 -91.244 62.5321 44.2905 133.157 123.801 PRESSAVG: 913600 76.2261 -7.97771 6.09009 -7.97776 -93.8938 -50.5172 6.09 -50.5173 2.29697 GPRESSAVG: 913600 75.4658 -9.52006 6.79675 -6.13648 -94.727 -51.3949 6.42257 -51.9874 3.73133 TIMING: 913600 CPU: 2847.72, 0.00309608/step Wall: 2847.72, 0.00309608/step, 3.5144 hours remaining, 233.675781 MB of memory in use. ENERGY: 913600 3951.3668 20556.0952 14420.3217 249.4583 -203139.8391 2939.6299 0.0000 0.0000 51568.1350 -109454.8322 296.3628 -161022.9672 -109098.9566 297.8810 -59.2844 -35.2493 765583.0982 -5.1236 -5.1766 PRESSURE: 913800 12.1434 -34.8992 27.1073 -34.8993 -112.985 -120.852 27.1078 -120.853 -218.414 GPRESSURE: 913800 47.6769 -77.8209 100.027 -8.51514 -69.1566 -172.265 110.573 -13.8889 -224.45 PRESSAVG: 913800 77.6244 -13.5853 -24.7251 -13.5853 -73.5342 -78.9241 -24.7251 -78.9241 -12.7801 GPRESSAVG: 913800 77.0619 -12.8264 -25.6988 -14.0617 -73.9634 -79.0827 -22.9627 -77.4598 -12.4128 TIMING: 913800 CPU: 2848.34, 0.00311077/step Wall: 2848.34, 0.00311077/step, 3.5309 hours remaining, 233.675781 MB of memory in use. ENERGY: 913800 3882.0743 20510.4991 14473.2880 253.1882 -203258.5961 3026.0001 0.0000 0.0000 51878.6305 -109234.9159 298.1472 -161113.5464 -108861.8709 298.4096 -106.4186 -81.9766 764728.4342 -2.8966 -3.1048 PRESSURE: 914000 -214.561 -37.2692 -319.908 -37.2679 -154.199 -156.083 -319.907 -156.083 -18.9414 GPRESSURE: 914000 -174.654 -113.63 -319.468 -42.5334 -155.932 -151.702 -315.831 -101.719 45.5306 PRESSAVG: 914000 35.6143 -43.2154 -16.9802 -43.2154 -37.6779 -107.584 -16.9802 -107.584 -23.6083 GPRESSAVG: 914000 37.3274 -42.3392 -16.9928 -44.8507 -37.4091 -106.361 -17.5122 -107.333 -25.4713 TIMING: 914000 CPU: 2848.96, 0.00310968/step Wall: 2848.96, 0.00310968/step, 3.52949 hours remaining, 233.675781 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: 914000 3929.5360 20473.7765 14432.7861 260.3726 -203089.0707 2893.6848 0.0000 0.0000 51905.6075 -109193.3071 298.3022 -161098.9146 -108837.0382 298.6088 -129.2340 -95.0185 764808.9047 -8.5573 -8.5177 PRESSURE: 914200 105.418 -31.0111 -48.7847 -31.0118 -21.7151 101.679 -48.7841 101.678 311.998 GPRESSURE: 914200 106.891 10.8017 -96.3198 -14.4107 6.56496 66.227 25.1499 229.58 346.333 PRESSAVG: 914200 -6.04523 -24.1236 25.4947 -24.1236 -31.2382 -53.9609 25.4947 -53.9609 14.9445 GPRESSAVG: 914200 -6.65137 -25.7995 25.0945 -20.9233 -31.6528 -55.6485 23.5735 -55.3169 15.2115 TIMING: 914200 CPU: 2849.58, 0.00310527/step Wall: 2849.58, 0.00310527/step, 3.52431 hours remaining, 233.675781 MB of memory in use. ENERGY: 914200 4023.7595 20550.6306 14374.5711 236.9910 -203324.3952 2907.6470 0.0000 0.0000 51936.7440 -109294.0519 298.4812 -161230.7959 -108936.9860 298.3982 131.9000 153.2630 764782.1780 -7.4463 -7.6976 PRESSURE: 914400 -140.884 169.486 14.3047 169.486 -58.9656 -293 14.305 -292.999 -90.7598 GPRESSURE: 914400 -133.055 156.084 -110.172 107.43 -19.8261 -227.684 54.6341 -219.854 -43.4583 PRESSAVG: 914400 43.0703 -14.4394 -36.193 -14.4393 -53.9373 -17.8609 -36.193 -17.861 -4.94317 GPRESSAVG: 914400 42.4344 -13.2017 -35.704 -17.5668 -53.7232 -16.4061 -34.3235 -17.3371 -4.61906 TIMING: 914400 CPU: 2850.2, 0.00310393/step Wall: 2850.2, 0.00310393/step, 3.52262 hours remaining, 233.675781 MB of memory in use. ENERGY: 914400 4125.6002 20355.9559 14396.8414 228.9729 -203007.8148 2985.4833 0.0000 0.0000 51698.6616 -109216.2995 297.1129 -160914.9611 -108862.6033 298.1114 -96.8698 -65.4464 767178.0108 -5.2701 -5.3026 PRESSURE: 914600 -65.4898 52.3185 122.009 52.318 -248.319 157.494 122.01 157.494 -59.3601 GPRESSURE: 914600 -20.1881 -28.2025 216.328 89.5897 -190.48 163.027 114.813 199.04 -86.2849 PRESSAVG: 914600 94.3552 -48.1635 -35.1347 -48.1635 -118.437 -22.8673 -35.1347 -22.8673 15.5796 GPRESSAVG: 914600 93.2234 -46.1256 -34.6755 -47.6399 -117.7 -22.7999 -38.1758 -23.9117 15.5838 TIMING: 914600 CPU: 2850.82, 0.00309841/step Wall: 2850.82, 0.00309841/step, 3.51618 hours remaining, 233.675781 MB of memory in use. ENERGY: 914600 3915.6038 20574.7163 14461.4922 241.1467 -203477.1172 2951.4257 0.0000 0.0000 51842.8839 -109489.8486 297.9418 -161332.7325 -109123.1540 297.8410 -124.3895 -98.9844 766271.2505 -2.8341 -2.9643 PRESSURE: 914800 20.7594 -77.7795 -108.816 -77.7798 -27.0844 -77.842 -108.816 -77.8426 177.223 GPRESSURE: 914800 18.5671 -6.0649 -123.209 -63.1791 45.7899 -118.228 -127.021 -234.982 184.172 PRESSAVG: 914800 68.477 -19.6159 1.30825 -19.6161 -66.8169 -3.44138 1.30825 -3.44134 6.54262 GPRESSAVG: 914800 69.8185 -21.2936 2.20623 -19.3888 -68.6129 -2.83782 2.00412 -5.12484 6.70425 TIMING: 914800 CPU: 2851.44, 0.00310972/step Wall: 2851.44, 0.00310972/step, 3.52885 hours remaining, 233.675781 MB of memory in use. ENERGY: 914800 3988.3923 20445.2144 14427.5293 241.3130 -203223.1245 2769.6587 0.0000 0.0000 52093.4107 -109257.6061 299.3815 -161351.0168 -108889.0931 298.3899 56.9659 82.8431 765854.4173 2.7342 2.6366 PRESSURE: 915000 -413.02 37.1609 -7.76216 37.1606 -184.707 -4.9229 -7.76163 -4.92178 -202.359 GPRESSURE: 915000 -288.181 12.1023 -0.832098 58.1645 -231.671 -34.8263 -47.7865 14.1919 -184.828 PRESSAVG: 915000 75.7233 -46.9188 10.7876 -46.9188 -98.9034 -2.18339 10.7877 -2.18335 7.7908 GPRESSAVG: 915000 75.2481 -46.7394 8.55548 -44.919 -98.2181 -3.13834 11.2782 -0.731989 7.46876 TIMING: 915000 CPU: 2852.07, 0.00311058/step Wall: 2852.07, 0.00311058/step, 3.52965 hours remaining, 233.675781 MB of memory in use. ENERGY: 915000 3955.0074 20348.1553 14429.3520 258.6717 -203005.6806 2741.1734 0.0000 0.0000 52011.0680 -109262.2527 298.9083 -161273.3207 -108906.0382 298.7605 -266.6954 -234.8934 766209.7580 -5.1298 -5.1671 PRESSURE: 915200 10.9831 175.816 -354.631 175.815 -261.082 -33.7159 -354.63 -33.7158 400.273 GPRESSURE: 915200 144.119 127.582 -263.368 114.748 -270.252 -53.2396 -239.668 -152.707 385.538 PRESSAVG: 915200 97.8557 -40.4374 18.277 -40.4375 -55.4817 -44.9582 18.2769 -44.9583 -9.81969 GPRESSAVG: 915200 97.9723 -39.0616 18.5908 -43.5468 -55.9562 -43.9329 19.7405 -44.2204 -9.03079 TIMING: 915200 CPU: 2852.69, 0.00311261/step Wall: 2852.69, 0.00311261/step, 3.53178 hours remaining, 233.675781 MB of memory in use. ENERGY: 915200 4072.9916 20375.0850 14409.7343 278.7305 -202910.7856 2706.7873 0.0000 0.0000 51953.7106 -109113.7461 298.5787 -161067.4567 -108757.6109 298.7288 50.0582 86.4682 765055.7967 10.8514 10.9951 PRESSURE: 915400 61.7617 -21.0365 156.016 -21.0358 -313.052 47.3992 156.016 47.398 -205.262 GPRESSURE: 915400 45.0761 44.1505 53.9958 -28.3948 -126.542 -29.7762 42.253 78.8407 -281.69 PRESSAVG: 915400 90.0992 -28.9483 24.8756 -28.9483 -68.1784 -1.54999 24.8756 -1.54998 1.35358 GPRESSAVG: 915400 91.1146 -28.8503 26.3039 -26.6699 -66.4806 -1.21048 22.9714 -3.20446 -1.14227 TIMING: 915400 CPU: 2853.31, 0.00310916/step Wall: 2853.31, 0.00310916/step, 3.52769 hours remaining, 233.675781 MB of memory in use. ENERGY: 915400 4026.4939 20357.3562 14332.0354 250.2262 -203137.0400 2946.7557 0.0000 0.0000 51964.3882 -109259.7844 298.6401 -161224.1726 -108893.8604 298.9608 -152.1841 -121.0518 765350.4350 7.7581 7.8306 PRESSURE: 915600 374.664 153.172 67.1307 153.171 71.4683 13.0323 67.1296 13.0326 -328.4 GPRESSURE: 915600 400.666 125.033 46.723 104.61 93.8605 -18.7532 75.2622 63.4989 -302.256 PRESSAVG: 915600 108.328 6.14991 -27.5725 6.14991 -83.4606 -39.6179 -27.5726 -39.6178 -22.2025 GPRESSAVG: 915600 107.143 6.38541 -28.1627 5.46719 -82.8193 -40.4138 -28.2672 -38.0094 -21.9969 TIMING: 915600 CPU: 2853.93, 0.00310502/step Wall: 2853.93, 0.00310502/step, 3.52282 hours remaining, 233.675781 MB of memory in use. ENERGY: 915600 3968.5739 20343.1648 14358.4767 263.5270 -203160.9323 2888.8946 0.0000 0.0000 52001.4154 -109336.8799 298.8528 -161338.2953 -108970.5416 298.7062 39.2440 64.0901 763929.8575 0.8885 0.7756 PRESSURE: 915800 272.579 -101.026 69.3037 -101.027 97.4217 134.333 69.3045 134.333 239.548 GPRESSURE: 915800 423.384 -37.0978 184.328 -132.044 -8.03835 31.6196 188.452 100.607 266.317 PRESSAVG: 915800 68.5271 -12.6393 -29.0128 -12.6393 -72.4133 -83.5884 -29.0129 -83.5883 24.6602 GPRESSAVG: 915800 68.271 -13.4666 -28.8556 -12.9541 -73.9748 -82.7763 -28.8562 -84.9387 25.8814 TIMING: 915800 CPU: 2854.55, 0.0031121/step Wall: 2854.55, 0.0031121/step, 3.53068 hours remaining, 233.675781 MB of memory in use. ENERGY: 915800 3915.0806 20522.7065 14475.7493 256.6420 -203140.7101 2746.2450 0.0000 0.0000 51944.9911 -109279.2957 298.5286 -161224.2868 -108917.6038 298.0979 203.1826 227.2210 763938.5355 6.9247 6.7259 PRESSURE: 916000 240.24 260.018 -38.5253 260.018 -297.831 -95.8479 -38.5256 -95.8476 -218.07 GPRESSURE: 916000 231.136 89.864 -152.184 212.218 -247.984 -107.468 91.1222 -86.4038 -178.639 PRESSAVG: 916000 133.892 -11.6887 -36.1252 -11.6887 -80.5723 -2.6292 -36.1251 -2.62922 -13.7679 GPRESSAVG: 916000 133.769 -11.9051 -36.7711 -10.895 -80.2836 -3.05006 -35.104 -1.29936 -13.7771 TIMING: 916000 CPU: 2855.18, 0.0031315/step Wall: 2855.18, 0.0031315/step, 3.55251 hours remaining, 233.675781 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: 916000 3956.8616 20473.0627 14521.1810 242.6784 -203206.1602 2870.0279 0.0000 0.0000 51883.9771 -109258.3714 298.1779 -161142.3485 -108897.5462 298.2538 -91.8871 -65.1624 764043.8702 13.1840 13.2361 PRESSURE: 916200 -226.461 18.1088 172.836 18.1085 96.849 -42.0018 172.836 -42.0016 53.1609 GPRESSURE: 916200 -173.608 -130.547 191.962 51.956 131.674 63.1772 165.005 -170.975 19.7939 PRESSAVG: 916200 23.3813 -38.5543 6.36511 -38.5543 -1.45045 -9.77613 6.36501 -9.77611 18.5575 GPRESSAVG: 916200 24.0264 -39.1468 6.0468 -36.8582 -1.2387 -9.28575 5.83475 -10.4518 17.6825 TIMING: 916200 CPU: 2855.8, 0.00312027/step Wall: 2855.8, 0.00312027/step, 3.5396 hours remaining, 233.675781 MB of memory in use. ENERGY: 916200 4011.8997 20387.9026 14519.7743 250.6641 -202963.7509 2526.8509 0.0000 0.0000 52123.4323 -109143.2269 299.5541 -161266.6592 -108770.5224 298.9861 -25.4837 -7.3801 763662.9335 13.4961 13.4901 LDB: ============= START OF LOAD BALANCING ============== 2868.28 LDB: ============== END OF LOAD BALANCING =============== 2868.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2868.28 LDB: ============= START OF LOAD BALANCING ============== 2868.6 LDB: Largest compute 7059 load 0.030792 is 15.8% of average load 0.195050 LDB: Average compute 0.004412 is 2.3% of average load 0.195050 LDB: TIME 2868.6 LOAD: AVG 0.19505 MAX 0.211491 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.188 MB LDB: TIME 2868.6 LOAD: AVG 0.19505 MAX 0.211491 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.188 MB LDB: TIME 2868.6 LOAD: AVG 0.19505 MAX 0.211491 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.188 MB LDB: ============== END OF LOAD BALANCING =============== 2868.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2868.61 PRESSURE: 916400 8.80306 -136.713 -207.318 -136.713 -309.97 -79.1511 -207.318 -79.1513 -128.865 GPRESSURE: 916400 -16.2733 -116.752 -140.236 -229.763 -228.38 -64.6283 -232.757 18.0986 -131.523 PRESSAVG: 916400 59.5918 -52.3782 -33.3086 -52.3782 -100.449 -17.0369 -33.3086 -17.0369 -1.51381 GPRESSAVG: 916400 59.946 -51.0815 -33.5557 -55.1296 -100.942 -17.4481 -32.722 -16.7599 -1.34787 TIMING: 916400 CPU: 2856.44, 0.00317739/step Wall: 2856.44, 0.00317739/step, 3.60422 hours remaining, 234.445312 MB of memory in use. ENERGY: 916400 3977.0898 20649.3317 14454.0513 247.5356 -203175.5562 2565.8363 0.0000 0.0000 52309.9939 -108971.7176 300.6263 -161281.7115 -108610.8285 299.3136 -143.3440 -125.3923 761773.8047 -14.1238 -14.1147 PRESSURE: 916600 -97.4227 -46.9886 -31.0112 -46.9883 -51.8068 160.051 -31.0102 160.05 103.004 GPRESSURE: 916600 -100.624 -97.201 -54.249 4.11533 -7.59771 229.667 79.6017 112.915 130.141 PRESSAVG: 916600 44.9752 3.42444 25.0932 3.42438 -76.0313 20.477 25.0932 20.4769 10.1853 GPRESSAVG: 916600 43.447 4.08983 24.4604 4.70867 -74.7786 21.4177 25.0906 20.6171 10.1669 TIMING: 916600 CPU: 2857.06, 0.00312162/step Wall: 2857.06, 0.00312162/step, 3.54078 hours remaining, 234.445312 MB of memory in use. ENERGY: 916600 4084.1981 20654.8841 14462.8448 251.7927 -203015.4972 2693.0206 0.0000 0.0000 52026.6212 -108842.1358 298.9977 -160868.7570 -108491.0813 299.5068 -15.4085 7.3066 762364.0663 -6.9569 -7.0549 PRESSURE: 916800 164.16 -149.739 -233.247 -149.739 -46.2176 131.419 -233.248 131.419 281.1 GPRESSURE: 916800 219.864 -143.772 -228.1 -218.823 3.33681 177.102 -185.945 50.7738 236.435 PRESSAVG: 916800 46.7075 -2.9319 -11.4578 -2.93186 -3.92455 21.8013 -11.4577 21.8012 7.63017 GPRESSAVG: 916800 46.9522 -4.15839 -12.1009 -2.03091 -3.64827 21.1662 -10.1003 21.9661 7.15064 TIMING: 916800 CPU: 2857.69, 0.00314049/step Wall: 2857.69, 0.00314049/step, 3.56201 hours remaining, 234.445312 MB of memory in use. ENERGY: 916800 3942.4071 20498.4298 14336.6972 248.9623 -203148.6571 2975.0748 0.0000 0.0000 52297.4857 -108849.6002 300.5544 -161147.0859 -108488.5675 300.1945 133.0141 153.2121 763879.4542 16.8044 16.8182 PRESSURE: 917000 356.548 -164.58 -20.5792 -164.581 -257.644 -157.643 -20.579 -157.642 98.7595 GPRESSURE: 917000 384.946 -177.013 72.6226 -212.758 -186.18 -196.945 -145.809 -20.6673 89.0059 PRESSAVG: 917000 53.5657 2.09588 -6.80414 2.09583 -109.984 8.40742 -6.80409 8.40731 4.17202 GPRESSAVG: 917000 54.8278 3.62939 -6.80283 2.11004 -111.327 8.79173 -6.31545 8.9589 3.73183 TIMING: 917000 CPU: 2858.32, 0.00312026/step Wall: 2858.32, 0.00312027/step, 3.5389 hours remaining, 234.445312 MB of memory in use. ENERGY: 917000 4049.6610 20664.5103 14383.1307 271.8161 -203042.5729 2919.5302 0.0000 0.0000 51816.3126 -108937.6121 297.7891 -160753.9247 -108578.5385 299.4436 65.8878 95.9242 762972.2672 -17.4155 -17.5890 PRESSURE: 917200 -93.176 345.686 141.578 345.686 10.577 -196.414 141.578 -196.414 246.974 GPRESSURE: 917200 -141.644 362.947 109.921 411.013 62.7154 -162.474 130.872 -180.615 325.227 PRESSAVG: 917200 -47.4875 -15.4419 25.9583 -15.4419 34.4869 12.3649 25.9583 12.365 21.3316 GPRESSAVG: 917200 -48.192 -16.3422 26.0298 -18.5791 35.162 13.0537 23.1396 12.7919 21.2137 TIMING: 917200 CPU: 2858.94, 0.00313873/step Wall: 2858.94, 0.00313873/step, 3.55967 hours remaining, 234.445312 MB of memory in use. ENERGY: 917200 4034.3337 20671.0250 14398.4602 249.6478 -203659.7807 3114.8144 0.0000 0.0000 52068.6207 -109122.8790 299.2391 -161191.4997 -108761.6854 298.9051 54.7915 82.0995 762630.0419 2.7770 2.7279 PRESSURE: 917400 11.4772 -84.6549 -319.895 -84.6567 -166.067 41.4142 -319.895 41.4133 -199.173 GPRESSURE: 917400 -3.60565 -26.1042 -304.17 -33.0301 -117.169 11.6394 -221.419 -30.8455 -148.332 PRESSAVG: 917400 6.3266 -7.58289 -32.3363 -7.58291 -67.4518 37.8493 -32.3363 37.8493 11.3868 GPRESSAVG: 917400 5.91492 -9.54589 -31.6471 -5.01746 -67.3487 36.7391 -30.4525 36.3811 11.976 TIMING: 917400 CPU: 2859.57, 0.00312929/step Wall: 2859.57, 0.00312929/step, 3.54879 hours remaining, 234.445312 MB of memory in use. ENERGY: 917400 3968.0174 20698.7366 14385.1502 258.3755 -203200.8108 2662.2000 0.0000 0.0000 51774.5921 -109453.7390 297.5493 -161228.3311 -109102.7594 298.6682 -117.9210 -89.7022 762941.7384 -16.5795 -16.4859 PRESSURE: 917600 21.2236 268.716 100.111 268.715 152.123 -29.1378 100.112 -29.1373 -339.108 GPRESSURE: 917600 88.488 321.88 89.25 84.6083 79.957 -18.9825 68.1025 40.7034 -237.311 PRESSAVG: 917600 28.2341 -0.150275 -9.97352 -0.150284 -44.7034 -13.053 -9.97358 -13.053 1.26532 GPRESSAVG: 917600 29.5554 0.771287 -8.71673 -0.57482 -46.0768 -11.7147 -12.5511 -13.265 1.35764 TIMING: 917600 CPU: 2860.19, 0.00311958/step Wall: 2860.19, 0.00311958/step, 3.5376 hours remaining, 234.445312 MB of memory in use. ENERGY: 917600 3958.8920 20419.9360 14405.2574 248.6751 -203406.6492 2972.0469 0.0000 0.0000 51985.8331 -109416.0087 298.7633 -161401.8418 -109050.7448 298.3890 -55.2538 -22.9552 763947.0322 -5.0680 -5.0546 PRESSURE: 917800 301.535 -60.7798 -21.1106 -60.78 -422.455 4.82233 -21.1117 4.82228 171.968 GPRESSURE: 917800 250.82 -53.364 -29.7001 71.7113 -287.278 -13.0312 -22.1245 10.5569 168.964 PRESSAVG: 917800 2.82558 -6.7332 0.12036 -6.73317 -45.0754 42.9889 0.120342 42.989 0.683729 GPRESSAVG: 917800 1.81671 -5.96412 -0.571374 -6.49296 -44.222 42.7716 1.5131 42.7121 0.603302 TIMING: 917800 CPU: 2860.82, 0.00313076/step Wall: 2860.82, 0.00313076/step, 3.55011 hours remaining, 234.445312 MB of memory in use. ENERGY: 917800 4005.1627 20472.0755 14444.3317 267.7125 -203584.5334 2910.0562 0.0000 0.0000 52193.5687 -109291.6260 299.9572 -161485.1947 -108926.2795 298.5907 17.0159 44.1687 762980.2508 -13.8554 -13.9340 PRESSURE: 918000 -9.13937 114.219 -146.362 114.219 -288.398 50.8369 -146.362 50.837 -297.587 GPRESSURE: 918000 112.936 29.9516 -154.223 51.4731 -237.392 12.6838 -228.978 115.89 -404.825 PRESSAVG: 918000 54.2756 -12.027 -22.1853 -12.0269 -86.6624 50.2463 -22.1853 50.2463 13.9615 GPRESSAVG: 918000 54.4231 -11.2777 -22.3054 -13.45 -86.8342 49.6952 -21.4681 51.469 13.6726 TIMING: 918000 CPU: 2861.45, 0.0031298/step Wall: 2861.45, 0.00312979/step, 3.54884 hours remaining, 234.445312 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: 918000 3984.1163 20546.3095 14420.1866 252.3712 -203141.4261 2683.5858 0.0000 0.0000 52068.7822 -109186.0747 299.2400 -161254.8569 -108817.7789 299.3128 -198.3747 -176.4272 764705.1963 -6.1418 -6.2462 PRESSURE: 918200 -84.6491 159.468 162.56 159.467 106.089 -49.0299 162.561 -49.0298 552.197 GPRESSURE: 918200 -17.3604 146.175 230.513 107.05 152.033 -100.839 141.485 -7.41587 525.894 PRESSAVG: 918200 41.513 -15.1226 -36.2621 -15.1226 -13.8696 -23.8507 -36.2622 -23.8507 3.32104 GPRESSAVG: 918200 42.0359 -16.7784 -36.0114 -14.0826 -14.9227 -22.1969 -37.3618 -22.0707 2.94003 TIMING: 918200 CPU: 2862.07, 0.00310445/step Wall: 2862.07, 0.00310445/step, 3.51993 hours remaining, 234.445312 MB of memory in use. ENERGY: 918200 3957.7400 20436.2373 14429.3736 241.8865 -203271.0150 2878.8731 0.0000 0.0000 52029.7876 -109297.1171 299.0159 -161326.9046 -108927.7635 298.9580 191.2123 220.1890 763125.8799 10.3215 10.0177 PRESSURE: 918400 90.9998 -178.433 135.376 -178.433 -26.9363 210.649 135.377 210.649 152.833 GPRESSURE: 918400 96.2724 -207.906 76.6619 -205.956 73.4081 87.2194 66.8074 315.387 114.125 PRESSAVG: 918400 63.4476 -18.2725 -16.6905 -18.2724 -47.2376 -24.4412 -16.6905 -24.4412 -2.06917 GPRESSAVG: 918400 60.9746 -19.5634 -17.7642 -18.1129 -45.0756 -26.7314 -14.8845 -27.3367 -1.22742 TIMING: 918400 CPU: 2862.69, 0.0031042/step Wall: 2862.69, 0.0031042/step, 3.51947 hours remaining, 234.445312 MB of memory in use. ENERGY: 918400 3982.0822 20477.8076 14433.1458 258.4098 -203278.7789 2798.2135 0.0000 0.0000 52178.9853 -109150.1347 299.8733 -161329.1200 -108791.8130 298.5991 72.2987 94.6020 763918.8008 4.7136 4.8905 PRESSURE: 918600 230.979 21.1012 83.4052 21.1006 131.802 19.9303 83.4054 19.93 192.021 GPRESSURE: 918600 334.185 -30.6207 -2.91953 -99.7284 118.284 -7.0238 126.728 60.7386 178.239 PRESSAVG: 918600 12.2877 -53.1138 13.8571 -53.1138 -31.4825 -15.4394 13.8571 -15.4394 -25.085 GPRESSAVG: 918600 13.1342 -52.4599 14.6269 -52.5085 -31.8804 -14.1436 13.1858 -14.0559 -25.5235 TIMING: 918600 CPU: 2863.31, 0.00310767/step Wall: 2863.31, 0.00310767/step, 3.52323 hours remaining, 234.445312 MB of memory in use. ENERGY: 918600 3960.4313 20561.8972 14430.8109 240.7435 -202926.8869 2630.4454 0.0000 0.0000 51939.4443 -109163.1144 298.4967 -161102.5587 -108808.3188 298.5754 184.9341 210.2358 763111.6160 -14.7599 -14.7565 PRESSURE: 918800 130.903 -136.18 148.76 -136.18 -71.2553 134.142 148.759 134.143 238.038 GPRESSURE: 918800 110.493 -40.8373 268.282 -85.7981 -45.0485 114.985 146.738 186.972 298.862 PRESSAVG: 918800 82.6299 -4.07601 -45.7046 -4.07601 -86.9054 29.7896 -45.7046 29.7896 -10.1665 GPRESSAVG: 918800 83.6364 -3.0683 -45.5113 -6.05346 -88.4439 30.1383 -44.5485 30.6633 -9.56359 TIMING: 918800 CPU: 2863.93, 0.00310946/step Wall: 2863.93, 0.00310947/step, 3.5251 hours remaining, 234.445312 MB of memory in use. ENERGY: 918800 3959.9773 20498.1371 14413.8725 239.9962 -202885.1069 2543.1984 0.0000 0.0000 51902.4215 -109327.5038 298.2839 -161229.9254 -108951.5729 298.9302 99.2286 121.4356 764201.0906 -4.8140 -4.7904 PRESSURE: 919000 269.822 -129.969 415.89 -129.969 -4.52211 -85.6671 415.891 -85.6677 265.003 GPRESSURE: 919000 272.68 -146.017 387.216 -133.388 62.1125 -80.8775 353.313 -154.959 275.85 PRESSAVG: 919000 13.9396 -31.1831 0.527363 -31.1831 16.4332 15.7843 0.527379 15.7842 -9.69752 GPRESSAVG: 919000 13.1981 -32.964 -0.749278 -28.2462 16.9101 14.0186 0.193097 14.9548 -9.56898 TIMING: 919000 CPU: 2864.56, 0.00311866/step Wall: 2864.56, 0.00311866/step, 3.53535 hours remaining, 234.445312 MB of memory in use. ENERGY: 919000 4066.6466 20681.7860 14400.5637 251.2778 -203472.6018 3014.9396 0.0000 0.0000 51943.5782 -109113.8099 298.5205 -161057.3881 -108755.3490 299.0992 176.7677 203.5475 763850.8273 6.8918 6.8464 PRESSURE: 919200 -343.738 218.906 -91.2198 218.906 -322.145 30.6729 -91.2202 30.6733 -21.2898 GPRESSURE: 919200 -325.33 145.468 -188.694 229.577 -226.303 69.6989 -43.1636 5.70465 -40.2167 PRESSAVG: 919200 37.2433 -12.706 -28.9984 -12.706 -14.8946 34.1666 -28.9983 34.1666 0.696383 GPRESSAVG: 919200 36.9226 -10.6542 -29.6973 -15.4101 -14.5923 35.4848 -30.6613 31.8276 0.524676 TIMING: 919200 CPU: 2865.18, 0.00312326/step Wall: 2865.18, 0.00312326/step, 3.54039 hours remaining, 234.445312 MB of memory in use. ENERGY: 919200 4060.8414 20657.5823 14504.6069 256.5972 -202876.4398 2578.0846 0.0000 0.0000 52045.5452 -108773.1823 299.1065 -160818.7275 -108421.6289 299.5082 -229.0574 -197.2834 764948.8580 7.6817 7.6183 PRESSURE: 919400 -57.6546 29.1815 -171.217 29.1831 -86.9583 177.827 -171.216 177.827 -275.675 GPRESSURE: 919400 45.1398 -38.1753 -91.5355 1.45727 -109.817 250.866 -177.264 155.177 -264.543 PRESSAVG: 919400 -6.6924 -28.7644 -33.9563 -28.7644 -44.2727 11.7399 -33.9563 11.7399 -17.8222 GPRESSAVG: 919400 -5.40662 -29.1961 -32.674 -27.2425 -44.4202 11.3288 -35.5596 14.4623 -18.5947 TIMING: 919400 CPU: 2865.81, 0.00312996/step Wall: 2865.81, 0.00312996/step, 3.54781 hours remaining, 234.445312 MB of memory in use. ENERGY: 919400 4036.4212 20462.4350 14469.7783 230.5343 -203460.4594 2940.5274 0.0000 0.0000 52219.1303 -109101.6328 300.1041 -161320.7632 -108738.6529 299.6609 -140.0960 -109.7398 764131.0260 -22.9291 -22.8072 PRESSURE: 919600 -116.767 -87.841 -130.588 -87.8417 -27.9654 123.088 -130.588 123.087 -263.214 GPRESSURE: 919600 -37.2038 -0.362215 -175.806 -11.9964 31.9831 183.211 -78.1574 108.934 -312.854 PRESSAVG: 919600 15.2478 -53.1488 -37.5547 -53.1488 -25.1771 -11.2103 -37.5547 -11.2103 -4.97854 GPRESSAVG: 919600 14.7171 -51.1497 -38.593 -54.6367 -25.3997 -11.5073 -34.7412 -10.5481 -5.08685 TIMING: 919600 CPU: 2866.43, 0.00313433/step Wall: 2866.43, 0.00313433/step, 3.55259 hours remaining, 234.445312 MB of memory in use. ENERGY: 919600 3946.5627 20505.7380 14430.9670 252.4999 -203426.9354 3166.6007 0.0000 0.0000 51962.4376 -109162.1296 298.6288 -161124.5672 -108788.7761 298.6777 -135.9820 -106.0250 763693.1263 -4.9693 -5.2565 PRESSURE: 919800 255.864 136.448 301.312 136.448 122.851 -31.9554 301.312 -31.9549 456.642 GPRESSURE: 919800 237.038 130.399 249.739 -41.0633 137.818 -84.107 223.773 -39.1054 519.489 PRESSAVG: 919800 -27.8694 -16.68 -29.1328 -16.68 -25.3455 -35.1844 -29.1329 -35.1845 -7.80327 GPRESSAVG: 919800 -28.7483 -19.4939 -28.5944 -17.2258 -25.1037 -34.3408 -29.925 -37.5005 -6.80559 TIMING: 919800 CPU: 2867.06, 0.00312343/step Wall: 2867.06, 0.00312343/step, 3.54007 hours remaining, 234.445312 MB of memory in use. ENERGY: 919800 3956.6931 20560.8178 14473.6029 245.1241 -203113.0485 2813.3853 0.0000 0.0000 51975.4337 -109087.9915 298.7035 -161063.4252 -108716.5206 298.5117 278.4521 298.1150 763799.5628 -20.3394 -20.2192 PRESSURE: 920000 121.514 -48.6398 302.021 -48.6405 -152.231 74.0578 302.02 74.0578 94.8004 GPRESSURE: 920000 174.541 -40.4264 228.616 -99.5847 -97.8773 23.9846 226.369 191.451 38.8274 PRESSAVG: 920000 9.24598 -14.5888 -31.1124 -14.5888 36.5304 1.46214 -31.1123 1.46213 6.54837 GPRESSAVG: 920000 8.91964 -12.8164 -28.7241 -13.6645 36.8046 0.338076 -33.0006 1.93127 6.61284 TIMING: 920000 CPU: 2867.68, 0.00311825/step Wall: 2867.68, 0.00311825/step, 3.53401 hours remaining, 234.445312 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: 920000 3984.5614 20522.3169 14513.9062 255.8424 -203473.9126 2929.8015 0.0000 0.0000 52051.7257 -109215.7584 299.1420 -161267.4841 -108856.1014 299.1702 21.3611 38.4969 763350.2641 17.4416 17.4457 PRESSURE: 920200 47.5353 -49.9097 -102.677 -49.9108 -158.869 -11.7546 -102.676 -11.7545 -352.033 GPRESSURE: 920200 54.6827 -131.791 -11.741 -44.3796 -114.215 -70.6534 -54.4995 -69.03 -307.343 PRESSAVG: 920200 23.8909 -50.9084 -11.1986 -50.9084 -66.451 57.0062 -11.1985 57.0061 -7.42532 GPRESSAVG: 920200 24.1892 -51.3216 -13.0849 -53.2434 -66.7446 57.6213 -9.02931 56.1826 -8.15688 TIMING: 920200 CPU: 2868.31, 0.00312227/step Wall: 2868.31, 0.00312227/step, 3.5384 hours remaining, 234.445312 MB of memory in use. ENERGY: 920200 4023.4728 20510.1972 14467.5712 250.1632 -203335.9295 2895.6126 0.0000 0.0000 52114.1196 -109074.7930 299.5006 -161188.9126 -108719.6920 299.0287 -154.4555 -122.2917 763797.0780 -16.6618 -16.9041 LDB: ============= START OF LOAD BALANCING ============== 2880.78 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2880.78 LDB: =============== DONE WITH MIGRATION ================ 2880.79 LDB: ============= START OF LOAD BALANCING ============== 2881.1 LDB: Largest compute 7059 load 0.030274 is 15.5% of average load 0.195017 LDB: Average compute 0.004391 is 2.3% of average load 0.195017 LDB: TIME 2881.1 LOAD: AVG 0.195017 MAX 0.214532 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.73 MB LDB: TIME 2881.1 LOAD: AVG 0.195017 MAX 0.214532 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.73 MB LDB: TIME 2881.1 LOAD: AVG 0.195017 MAX 0.214532 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.73 MB LDB: ============== END OF LOAD BALANCING =============== 2881.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2881.11 PRESSURE: 920400 -75.3201 -154.126 -121.188 -154.126 -55.3432 -100.241 -121.187 -100.24 -237.614 GPRESSURE: 920400 73.4129 39.4298 -189.862 -139.019 -89.9277 -153.243 -180.753 34.9803 -251.066 PRESSAVG: 920400 28.0373 24.7002 -63.0814 24.7003 -0.867567 31.6555 -63.0814 31.6555 -5.33626 GPRESSAVG: 920400 28.6043 24.3289 -63.2382 26.7809 -2.51547 32.5386 -64.4288 31.9762 -4.35531 TIMING: 920400 CPU: 2868.94, 0.00319607/step Wall: 2868.94, 0.00319607/step, 3.62186 hours remaining, 233.027344 MB of memory in use. ENERGY: 920400 3969.0766 20460.2986 14462.2760 233.0863 -203237.2909 2880.6508 0.0000 0.0000 51940.3171 -109291.5854 298.5017 -161231.9025 -108925.8537 298.9253 -122.7589 -89.1935 764648.2551 7.2778 7.2445 PRESSURE: 920600 -198.132 -68.278 126.418 -68.2778 120.999 -148.945 126.418 -148.945 -165.662 GPRESSURE: 920600 -95.3716 -149.856 131.347 -119.236 126.682 -211.215 -7.63591 -143.677 -197.961 PRESSAVG: 920600 -5.40494 18.6671 -52.1921 18.6672 9.06779 13.1156 -52.1921 13.1156 -17.0474 GPRESSAVG: 920600 -6.99887 18.9236 -50.4409 16.4475 11.1226 12.2397 -51.9587 14.2878 -17.783 TIMING: 920600 CPU: 2869.57, 0.00313414/step Wall: 2869.57, 0.00313414/step, 3.5515 hours remaining, 233.027344 MB of memory in use. ENERGY: 920600 4054.3212 20479.3827 14379.6880 265.7988 -203490.7740 3199.3417 0.0000 0.0000 51895.8234 -109216.4181 298.2460 -161112.2415 -108862.5344 298.0446 -80.9315 -55.5503 764245.2601 -4.4615 -4.5531 PRESSURE: 920800 -207.685 26.4422 -243.937 26.4415 -340.248 123.246 -243.936 123.245 -279.907 GPRESSURE: 920800 -130.877 22.0548 -223.528 58.8996 -316.284 177.087 -210.939 131.539 -280.212 PRESSAVG: 920800 44.8903 -0.558422 -99.9539 -0.558378 -39.501 7.34191 -99.9539 7.34194 22.032 GPRESSAVG: 920800 46.3208 -2.25121 -100.611 1.10212 -41.0841 6.69802 -97.5649 7.32144 22.2483 TIMING: 920800 CPU: 2870.19, 0.00311729/step Wall: 2870.19, 0.00311729/step, 3.53224 hours remaining, 233.027344 MB of memory in use. ENERGY: 920800 4044.0608 20383.1810 14355.6856 242.3509 -203023.4846 2785.1673 0.0000 0.0000 51908.8628 -109304.1761 298.3209 -161213.0389 -108946.7296 298.7237 -275.9467 -242.4579 765609.7887 9.1404 9.1617 PRESSURE: 921000 -357.86 -45.8411 89.3797 -45.8412 -231.068 -27.1669 89.3802 -27.1674 -222.524 GPRESSURE: 921000 -286.109 23.6798 56.2261 -71.8308 -228.389 -22.8006 156.65 27.7251 -202.82 PRESSAVG: 921000 30.6948 12.643 -44.8151 12.643 -57.3685 7.24627 -44.8151 7.24613 -31.0495 GPRESSAVG: 921000 30.3592 13.8754 -44.1567 13.9064 -57.8533 9.42008 -46.2831 6.04711 -30.2154 TIMING: 921000 CPU: 2870.82, 0.00311281/step Wall: 2870.82, 0.00311281/step, 3.52699 hours remaining, 233.027344 MB of memory in use. ENERGY: 921000 3970.4098 20539.9513 14426.3529 232.0763 -202943.6218 2648.1529 0.0000 0.0000 51730.5444 -109396.1342 297.2961 -161126.6786 -109044.3155 298.1938 -270.4839 -239.1059 765096.3688 -19.2411 -19.2365 PRESSURE: 921200 23.2893 323.037 136.188 323.037 -95.4758 8.49486 136.189 8.49625 -177.432 GPRESSURE: 921200 56.3385 230.593 136.05 249.626 -104.445 109.917 110.895 -14.8592 -126.477 PRESSAVG: 921200 3.30278 14.1769 21.9448 14.1769 -71.5722 -8.78354 21.9448 -8.78349 10.3881 GPRESSAVG: 921200 1.91161 15.1635 21.5009 13.3601 -70.2022 -9.87516 22.2676 -8.90045 10.0065 TIMING: 921200 CPU: 2871.44, 0.00311307/step Wall: 2871.44, 0.00311307/step, 3.52711 hours remaining, 233.027344 MB of memory in use. ENERGY: 921200 4001.0086 20548.8647 14372.2370 228.1708 -203365.3194 2818.3183 0.0000 0.0000 52101.9981 -109294.7219 299.4309 -161396.7200 -108928.9416 298.0965 -83.2062 -58.1945 761538.1008 -19.2938 -19.4280 PRESSURE: 921400 -186.033 160.41 202.002 160.41 -1.31005 -38.4927 202.001 -38.4919 -44.3037 GPRESSURE: 921400 -183.98 252.329 193.262 202.784 18.2478 -12.9794 167.594 -23.2762 11.4439 PRESSAVG: 921400 12.1317 13.914 -25.982 13.914 -4.35983 -32.586 -25.982 -32.5862 -17.9414 GPRESSAVG: 921400 13.3046 14.0915 -25.3539 13.7177 -5.24372 -31.6372 -26.2806 -32.1343 -18.1362 TIMING: 921400 CPU: 2872.07, 0.00312992/step Wall: 2872.07, 0.00312992/step, 3.54603 hours remaining, 233.027344 MB of memory in use. ENERGY: 921400 3971.6428 20577.7745 14431.9998 253.0786 -203248.0552 2806.9192 0.0000 0.0000 51929.1634 -109277.4769 298.4376 -161206.6403 -108931.0886 298.6470 -77.2154 -51.4294 763534.2223 -3.3899 -3.3584 PRESSURE: 921600 221.392 -53.4193 -80.642 -53.4196 175.285 -228.494 -80.6416 -228.494 -260.964 GPRESSURE: 921600 145.866 -47.8407 -118.005 -50.1869 318.23 -221.18 -102.69 -215.581 -250.453 PRESSAVG: 921600 9.33609 62.8727 -13.8098 62.8727 27.8195 16.0987 -13.8098 16.0988 17.5854 GPRESSAVG: 921600 8.41763 62.2856 -13.8548 64.6113 29.1153 16.2965 -15.5366 15.3159 17.2649 TIMING: 921600 CPU: 2872.69, 0.00310077/step Wall: 2872.69, 0.00310077/step, 3.51283 hours remaining, 233.027344 MB of memory in use. ENERGY: 921600 3949.7524 20557.6062 14474.7748 236.8837 -203455.8034 2968.2582 0.0000 0.0000 51988.9000 -109279.6281 298.7809 -161268.5281 -108921.6065 298.9150 45.2376 71.2141 763443.0401 18.2470 18.2660 PRESSURE: 921800 -171.145 -32.722 0.588504 -32.7216 221.144 235.5 0.589594 235.5 -85.6746 GPRESSURE: 921800 -156.939 62.425 -34.735 -8.43767 173.27 256.156 -92.6652 109.785 27.6444 PRESSAVG: 921800 -16.756 48.6585 -48.3215 48.6585 18.3489 -10.4555 -48.3215 -10.4556 -9.52677 GPRESSAVG: 921800 -16.6919 48.6949 -50.0059 47.532 18.5415 -10.8792 -45.8899 -9.43474 -9.8021 TIMING: 921800 CPU: 2873.31, 0.0031046/step Wall: 2873.31, 0.0031046/step, 3.517 hours remaining, 233.027344 MB of memory in use. ENERGY: 921800 4002.8417 20538.6230 14439.5675 251.4067 -203028.3462 2617.5061 0.0000 0.0000 51743.7798 -109434.6215 297.3722 -161178.4013 -109073.9743 298.5846 -11.8916 14.6585 762728.8685 -2.6446 -2.6508 PRESSURE: 922000 70.3206 64.5978 -103.071 64.5973 502.198 89.6651 -103.072 89.6652 -238.572 GPRESSURE: 922000 143.521 102.728 -21.6922 -26.0695 508.205 145.982 5.89086 150.99 -211.362 PRESSAVG: 922000 8.77066 19.912 -40.7208 19.912 49.6918 40.3614 -40.7208 40.3613 -0.391544 GPRESSAVG: 922000 10.244 19.2943 -39.0048 20.4426 49.1721 38.9475 -43.1526 40.3942 -1.45739 TIMING: 922000 CPU: 2873.93, 0.00312247/step Wall: 2873.93, 0.00312247/step, 3.53706 hours remaining, 233.027344 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: 922000 4014.3167 20646.1841 14442.3406 232.2172 -203157.5964 2859.6110 0.0000 0.0000 51717.8610 -109245.0658 297.2233 -160962.9268 -108876.4217 298.8256 111.3153 146.7882 762091.6745 19.3570 19.3196 PRESSURE: 922200 58.5634 228.563 -94.707 228.563 -184.041 37.9574 -94.7066 37.9575 155.039 GPRESSURE: 922200 102.282 196.214 -147.363 189.833 -98.3927 115.367 -70.7387 62.4231 99.6609 PRESSAVG: 922200 13.7776 40.9331 -45.0398 40.9331 2.502 20.9938 -45.0399 20.9938 -19.8836 GPRESSAVG: 922200 14.1997 41.2529 -47.318 41.6085 1.1913 21.5228 -43.4064 19.0794 -19.3318 TIMING: 922200 CPU: 2874.56, 0.00313223/step Wall: 2874.56, 0.00313223/step, 3.54795 hours remaining, 233.027344 MB of memory in use. ENERGY: 922200 3973.5459 20465.9929 14411.7198 242.3546 -203349.3006 2982.7719 0.0000 0.0000 51708.1661 -109564.7495 297.1675 -161272.9156 -109199.9002 298.8213 9.8537 34.5168 762997.4222 -1.2013 -1.3136 PRESSURE: 922400 -0.696569 208.016 171.358 208.017 -216.583 98.1212 171.358 98.1204 -456.254 GPRESSURE: 922400 -17.9366 196.994 152.221 9.30741 -143.362 58.0803 158.057 47.6017 -437.543 PRESSAVG: 922400 16.3416 29.4842 -47.6307 29.4841 -66.4282 -33.7128 -47.6306 -33.7128 -14.5948 GPRESSAVG: 922400 15.2701 29.7121 -47.315 28.5243 -64.6127 -34.5594 -49.0087 -30.6432 -15.4618 TIMING: 922400 CPU: 2875.18, 0.00312116/step Wall: 2875.18, 0.00312116/step, 3.53523 hours remaining, 233.027344 MB of memory in use. ENERGY: 922400 4105.8626 20454.0262 14448.2239 256.4093 -203031.8837 2731.6623 0.0000 0.0000 51507.5333 -109528.1661 296.0145 -161035.6994 -109171.5891 297.6309 -224.5113 -199.6139 763773.6890 -21.5605 -21.6014 PRESSURE: 922600 -162.762 -286.256 -160.148 -286.257 -154.642 -58.6917 -160.148 -58.6906 122.278 GPRESSURE: 922600 -144.602 -172.924 -179.031 -136.083 -133.403 -103.319 -5.57722 -112.29 163.77 PRESSAVG: 922600 35.8498 -28.434 10.7487 -28.4341 -20.6004 -13.2951 10.7488 -13.2951 8.46889 GPRESSAVG: 922600 37.5478 -28.0129 11.1446 -27.0835 -22.1341 -14.2938 13.8089 -13.391 8.91461 TIMING: 922600 CPU: 2875.8, 0.00310586/step Wall: 2875.8, 0.00310586/step, 3.51773 hours remaining, 233.027344 MB of memory in use. ENERGY: 922600 3902.5612 20492.2106 14366.4428 240.5385 -203372.0738 2955.2869 0.0000 0.0000 51851.8442 -109563.1895 297.9933 -161415.0337 -109207.8350 297.6967 -65.0417 -38.0782 763952.6456 7.9061 8.1094 PRESSURE: 922800 204.586 142.335 273.256 142.335 53.368 219.709 273.255 219.708 -46.8261 GPRESSURE: 922800 225.047 -0.792624 269.242 194.899 105.347 211.327 162.764 264.615 -30.9823 PRESSAVG: 922800 -14.3627 -21.7521 57.5198 -21.7522 -15.1715 -6.15526 57.5199 -6.15526 19.8971 GPRESSAVG: 922800 -14.5009 -20.5552 57.6132 -22.8437 -15.5166 -5.62181 57.359 -7.81896 19.9584 TIMING: 922800 CPU: 2876.43, 0.00313521/step Wall: 2876.43, 0.00313521/step, 3.55079 hours remaining, 233.027344 MB of memory in use. ENERGY: 922800 3982.6997 20478.5757 14474.9476 240.9184 -203565.7390 3201.7797 0.0000 0.0000 51634.1793 -109552.6385 296.7423 -161186.8178 -109202.0425 298.3365 70.3759 99.8037 763787.6330 -3.2124 -3.3530 PRESSURE: 923000 6.93213 -115.805 13.8973 -115.805 -208.994 -96.28 13.8975 -96.2793 -47.2453 GPRESSURE: 923000 23.8849 -89.65 -26.6213 -216.81 -184.24 -184.252 113.944 -62.878 -1.80738 PRESSAVG: 923000 28.1898 8.61353 20.3747 8.61353 -47.5939 24.6406 20.3747 24.6406 1.48877 GPRESSAVG: 923000 27.7819 6.33619 21.5368 9.5985 -47.2761 24.2181 19.1639 26.3795 1.93099 TIMING: 923000 CPU: 2877.06, 0.00313236/step Wall: 2877.06, 0.00313236/step, 3.54739 hours remaining, 233.027344 MB of memory in use. ENERGY: 923000 3976.6504 20463.9646 14396.9879 235.6347 -203178.0566 2858.0076 0.0000 0.0000 51824.6228 -109422.1886 297.8368 -161246.8114 -109058.1304 297.9778 -83.1023 -54.0540 764905.8086 -5.9718 -5.8544 PRESSURE: 923200 -194.222 76.3782 187.109 76.3787 173.206 -244.689 187.11 -244.687 414.037 GPRESSURE: 923200 -41.972 88.481 184.136 52.9345 119.639 -219.546 117.4 -204.899 402.297 PRESSAVG: 923200 13.43 18.2717 38.4815 18.2717 -46.8444 -21.422 38.4815 -21.422 -4.46249 GPRESSAVG: 923200 12.8648 20.0319 37.6729 17.4578 -45.6577 -19.8429 37.4489 -23.575 -4.79105 TIMING: 923200 CPU: 2877.68, 0.00311697/step Wall: 2877.68, 0.00311697/step, 3.5298 hours remaining, 233.027344 MB of memory in use. ENERGY: 923200 3924.4927 20522.8599 14394.2597 270.3624 -203167.1540 2803.8085 0.0000 0.0000 51686.8963 -109564.4745 297.0453 -161251.3708 -109204.2595 298.0197 131.0070 159.9882 761021.9000 -12.6256 -12.5280 PRESSURE: 923400 409.767 70.5325 -53.6214 70.532 -189.134 -58.0127 -53.6217 -58.0125 284.391 GPRESSURE: 923400 419.244 100.609 -91.1946 -13.1563 -130.24 -19.9154 -73.1476 -76.4491 309.217 PRESSAVG: 923400 36.1282 44.5736 43.4728 44.5737 0.662487 -0.426963 43.4727 -0.427064 16.9735 GPRESSAVG: 923400 35.3369 42.9163 43.1586 45.7788 0.455957 0.354084 43.9209 0.445817 17.8495 TIMING: 923400 CPU: 2878.31, 0.0031382/step Wall: 2878.31, 0.0031382/step, 3.55366 hours remaining, 233.027344 MB of memory in use. ENERGY: 923400 3974.3268 20475.6322 14361.1978 226.4646 -203636.8225 3081.0167 0.0000 0.0000 52042.3311 -109475.8532 299.0880 -161518.1844 -109117.6373 297.9725 168.3412 199.4068 764013.8231 17.9214 17.8808 PRESSURE: 923600 125.626 -118.721 -36.3996 -118.722 174.438 29.4732 -36.3997 29.4735 -4.07849 GPRESSURE: 923600 182.96 -129.278 -44.2221 -27.4225 197.067 22.29 71.1372 156.426 -10.2284 PRESSAVG: 923600 66.8455 1.1974 42.4651 1.1974 -27.6697 -28.5088 42.4651 -28.5088 -20.4134 GPRESSAVG: 923600 68.1575 0.948533 41.0089 0.981679 -27.7284 -29.5709 42.6447 -27.5326 -21.0677 TIMING: 923600 CPU: 2878.93, 0.00312147/step Wall: 2878.93, 0.00312147/step, 3.53454 hours remaining, 233.027344 MB of memory in use. ENERGY: 923600 3972.8054 20500.2685 14410.5936 228.4964 -203545.9078 3240.0498 0.0000 0.0000 52047.3076 -109146.3864 299.1166 -161193.6940 -108780.3606 298.1382 98.6620 123.2662 765094.2005 6.2542 6.4538 PRESSURE: 923800 54.7504 -209.184 85.5001 -209.184 -6.90786 -49.6047 85.5006 -49.6047 328.88 GPRESSURE: 923800 54.4363 -374.978 196.409 -144.307 19.8928 -27.1004 134.272 -116.628 393.615 PRESSAVG: 923800 38.1964 -39.282 10.3351 -39.282 -53.4732 -11.9571 10.3352 -11.957 -10.4089 GPRESSAVG: 923800 39.344 -37.0181 11.737 -41.3758 -54.1532 -13.6036 11.1807 -12.466 -10.3307 TIMING: 923800 CPU: 2879.56, 0.00311533/step Wall: 2879.56, 0.00311533/step, 3.52742 hours remaining, 233.027344 MB of memory in use. ENERGY: 923800 4009.9826 20373.1840 14410.6452 257.9968 -203221.5236 2977.0484 0.0000 0.0000 51957.8654 -109234.8011 298.6026 -161192.6665 -108879.1041 298.6100 125.5742 155.9813 764845.0670 -8.5619 -8.3800 PRESSURE: 924000 186.872 -32.4749 -63.0682 -32.4746 23.7338 22.6081 -63.0679 22.6082 237.31 GPRESSURE: 924000 180.229 -95.0893 -111.438 -74.8467 40.2149 -2.41914 -125.83 6.79682 293.789 PRESSAVG: 924000 35.9018 21.4079 -0.268867 21.4079 -104.419 -23.6996 -0.268818 -23.6995 -35.4152 GPRESSAVG: 924000 34.7857 18.779 -2.52755 23.0643 -104.017 -22.994 0.362082 -25.3138 -34.5048 TIMING: 924000 CPU: 2880.18, 0.0031291/step Wall: 2880.18, 0.0031291/step, 3.54283 hours remaining, 233.027344 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: 924000 3892.1103 20482.3467 14405.1723 266.2583 -203278.6194 3021.3051 0.0000 0.0000 52103.9100 -109107.5167 299.4419 -161211.4267 -108746.8968 298.7520 149.3052 171.4108 765264.5397 -34.6442 -34.5787 PRESSURE: 924200 -230.123 -226.47 17.8346 -226.471 -125.059 -52.4063 17.8353 -52.4047 -208.997 GPRESSURE: 924200 -194.589 -167.314 19.2769 -184.779 -82.453 -6.39532 -108.951 75.8414 -202.748 PRESSAVG: 924200 42.9245 15.6907 -21.813 15.6907 -30.0421 1.65248 -21.813 1.65247 5.05201 GPRESSAVG: 924200 43.8866 15.412 -18.4916 15.6946 -30.2993 4.42724 -23.1972 1.35301 4.76828 TIMING: 924200 CPU: 2880.81, 0.00312419/step Wall: 2880.81, 0.00312419/step, 3.5371 hours remaining, 233.027344 MB of memory in use. ENERGY: 924200 3960.5161 20619.1853 14415.2895 259.9652 -203351.8354 2903.7878 0.0000 0.0000 51994.6013 -109198.4903 298.8137 -161193.0915 -108835.4543 298.8228 -188.0596 -159.9297 764117.0272 5.9781 6.1185 LDB: ============= START OF LOAD BALANCING ============== 2893.28 LDB: ============== END OF LOAD BALANCING =============== 2893.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2893.29 LDB: ============= START OF LOAD BALANCING ============== 2893.6 LDB: Largest compute 7059 load 0.032894 is 16.9% of average load 0.195117 LDB: Average compute 0.004391 is 2.3% of average load 0.195117 LDB: TIME 2893.6 LOAD: AVG 0.195117 MAX 0.215247 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.051 MB LDB: TIME 2893.6 LOAD: AVG 0.195117 MAX 0.215247 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.055 MB LDB: TIME 2893.6 LOAD: AVG 0.195117 MAX 0.215247 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.055 MB LDB: ============== END OF LOAD BALANCING =============== 2893.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2893.61 PRESSURE: 924400 8.88476 31.8363 -76.6284 31.837 -249.396 213.174 -76.6283 213.174 -4.61491 GPRESSURE: 924400 -5.61115 0.00652853 -119.639 -47.1119 -170.322 207.232 20.0342 133.839 13.3364 PRESSAVG: 924400 57.2497 4.59106 51.5946 4.59103 -23.5237 -25.9971 51.5946 -25.9971 11.505 GPRESSAVG: 924400 56.4389 5.8316 50.2766 1.72659 -22.5021 -28.6413 52.8045 -24.5972 11.1435 TIMING: 924400 CPU: 2881.45, 0.00319835/step Wall: 2881.45, 0.00319835/step, 3.62089 hours remaining, 234.308594 MB of memory in use. ENERGY: 924400 3955.2791 20478.6457 14495.9470 259.0190 -203341.3336 2916.8395 0.0000 0.0000 52030.1023 -109205.5010 299.0177 -161235.6033 -108834.8834 298.8421 -81.7087 -54.1990 763944.4625 15.0770 15.0268 PRESSURE: 924600 115.393 210.66 -94.5373 210.66 73.9182 -274.344 -94.5376 -274.344 -86.714 GPRESSURE: 924600 84.5885 172.385 -25.7891 236.792 197.834 -307.129 -127.141 -238.512 -112.92 PRESSAVG: 924600 40.5109 10.5948 13.1119 10.5947 -57.5743 43.0139 13.1118 43.0138 5.86429 GPRESSAVG: 924600 40.6447 11.3634 13.1009 13.5316 -57.6313 44.3729 13.6261 42.8215 6.07757 TIMING: 924600 CPU: 2882.07, 0.0031155/step Wall: 2882.07, 0.0031155/step, 3.52692 hours remaining, 234.511719 MB of memory in use. ENERGY: 924600 4001.4131 20683.8512 14351.0401 240.4066 -203677.9407 3193.2217 0.0000 0.0000 51919.4561 -109288.5519 298.3818 -161208.0080 -108932.4295 298.4835 34.1992 56.5009 764087.8687 -3.7330 -3.6364 PRESSURE: 924800 -199.632 -140.67 205.283 -140.669 -12.6238 -276.555 205.284 -276.555 -183.834 GPRESSURE: 924800 -31.7245 -55.0075 219.172 2.40971 -47.837 -255.882 222.236 -261.715 -233.082 PRESSAVG: 924800 -26.7017 -5.30166 39.5351 -5.3017 0.634434 -6.65361 39.5351 -6.65352 19.1164 GPRESSAVG: 924800 -25.8185 -6.11857 38.0009 -6.1612 0.829077 -3.95229 39.6212 -7.26036 18.5749 TIMING: 924800 CPU: 2882.69, 0.00311614/step Wall: 2882.69, 0.00311614/step, 3.52747 hours remaining, 234.511719 MB of memory in use. ENERGY: 924800 3886.5569 20564.9834 14448.1601 237.5157 -203498.3996 3057.8743 0.0000 0.0000 51932.8114 -109370.4978 298.4586 -161303.3092 -109004.3235 298.3974 -132.0299 -104.2147 764908.6037 -2.3169 -2.1382 PRESSURE: 925000 -231.103 31.2355 277.104 31.2356 54.4784 6.23178 277.103 6.23173 76.0743 GPRESSURE: 925000 -260.84 59.4332 229.858 -14.4843 155.648 60.7713 306.383 -45.3649 71.2556 PRESSAVG: 925000 -36.0688 48.919 65.798 48.919 19.6272 1.64038 65.7979 1.64039 -10.0838 GPRESSAVG: 925000 -35.6342 49.7996 68.1879 48.312 19.8913 0.954386 64.5195 2.75706 -10.6909 TIMING: 925000 CPU: 2883.31, 0.00311313/step Wall: 2883.31, 0.00311313/step, 3.52389 hours remaining, 234.511719 MB of memory in use. ENERGY: 925000 3955.2169 20464.6199 14357.9465 240.6335 -203121.9564 2865.0629 0.0000 0.0000 52041.3909 -109197.0858 299.0826 -161238.4767 -108829.0938 298.8691 -33.5166 -11.3121 764274.8005 -8.8418 -8.8113 PRESSURE: 925200 -325.469 164.394 -373.219 164.395 25.566 195.149 -373.219 195.148 490.916 GPRESSURE: 925200 -171.449 29.9531 -389.093 155.074 32.1193 166.992 -290.559 228.401 417.451 PRESSAVG: 925200 -8.53832 15.7869 6.49557 15.7869 36.4525 21.8937 6.4955 21.8937 28.7019 GPRESSAVG: 925200 -10.0459 13.3264 6.04808 16.8541 35.686 19.5062 7.43053 22.2193 30.8301 TIMING: 925200 CPU: 2883.94, 0.00310808/step Wall: 2883.94, 0.00310808/step, 3.518 hours remaining, 234.511719 MB of memory in use. ENERGY: 925200 3915.7619 20415.0277 14506.4666 258.2167 -202867.8928 2429.9528 0.0000 0.0000 52191.1782 -109151.2889 299.9434 -161342.4671 -108775.8399 299.0364 63.6709 92.7071 763630.0552 18.8720 18.8234 PRESSURE: 925400 47.615 35.6352 212.395 35.6352 115.695 -113.744 212.395 -113.745 40.6922 GPRESSURE: 925400 168.799 112.826 190.045 28.914 103.541 -175.054 226.572 -98.2228 24.5643 PRESSAVG: 925400 28.2208 28.1552 17.6754 28.1553 8.5246 -15.5503 17.6754 -15.5503 2.70971 GPRESSAVG: 925400 28.3925 31.3327 17.0953 26.4856 8.16478 -14.4715 16.0253 -17.1702 2.90001 TIMING: 925400 CPU: 2884.56, 0.00310792/step Wall: 2884.56, 0.00310792/step, 3.51764 hours remaining, 234.703125 MB of memory in use. ENERGY: 925400 3977.4051 20374.6291 14487.5369 231.1410 -203150.8582 3042.1863 0.0000 0.0000 51853.1753 -109184.7845 298.0009 -161037.9598 -108817.8398 298.9415 68.0008 98.9681 763114.8862 13.1517 13.1524 PRESSURE: 925600 -58.6894 -58.0512 -28.7518 -58.0519 -503.726 -73.6522 -28.7518 -73.6505 -84.518 GPRESSURE: 925600 -166.004 1.56119 -31.1173 18.6022 -377.792 -88.6365 -145.407 -101.142 -25.1809 PRESSAVG: 925600 -23.6162 14.5855 -19.8119 14.5855 8.99075 -19.4205 -19.8119 -19.4204 19.7234 GPRESSAVG: 925600 -23.9606 13.4959 -20.578 14.6938 9.92322 -20.9536 -21.0786 -20.4905 18.2182 TIMING: 925600 CPU: 2885.18, 0.00309884/step Wall: 2885.18, 0.00309884/step, 3.50719 hours remaining, 234.703125 MB of memory in use. ENERGY: 925600 4006.0544 20555.1383 14337.2375 225.1702 -203272.3424 2889.1909 0.0000 0.0000 52114.3176 -109145.2335 299.5017 -161259.5511 -108778.9016 299.1166 -215.6445 -189.6590 764505.7275 1.6993 1.3936 PRESSURE: 925800 418.459 -60.8854 -106.645 -60.8846 -254.285 49.925 -106.646 49.9249 172.122 GPRESSURE: 925800 383.433 -40.9224 -29.0368 80.6586 -180.317 73.6472 -83.9072 -49.7749 210.772 PRESSAVG: 925800 8.53749 22.699 -72.7463 22.699 -5.20182 26.739 -72.7463 26.7389 -4.85745 GPRESSAVG: 925800 8.87839 21.2812 -73.0327 23.9925 -5.94164 27.6135 -68.3233 26.406 -4.3715 TIMING: 925800 CPU: 2885.8, 0.00311911/step Wall: 2885.8, 0.00311911/step, 3.52997 hours remaining, 234.703125 MB of memory in use. ENERGY: 925800 4007.8513 20574.3465 14436.2691 236.7141 -203461.2257 3062.3049 0.0000 0.0000 52088.3322 -109055.4077 299.3524 -161143.7399 -108698.0637 299.0948 112.0987 137.9628 763926.9700 -0.5073 -0.4782 PRESSURE: 926000 -147.641 -91.8273 9.43982 -91.8273 -104.615 136.349 9.43969 136.35 -127.441 GPRESSURE: 926000 -166.68 -20.6663 25.7878 -68.8948 -61.8118 200.346 -104.318 102.409 -63.6708 PRESSAVG: 926000 11.9803 -5.50336 -17.0762 -5.50338 25.0062 11.6804 -17.0762 11.6804 -8.21916 GPRESSAVG: 926000 10.8448 -6.44096 -17.7249 -7.03182 27.1627 11.084 -17.875 15.0788 -8.95624 TIMING: 926000 CPU: 2886.43, 0.00314107/step Wall: 2886.43, 0.00314107/step, 3.55465 hours remaining, 234.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 926000 3953.8759 20347.3514 14426.2533 260.2139 -203446.0290 3269.5725 0.0000 0.0000 51942.2201 -109246.5419 298.5127 -161188.7620 -108884.6107 299.5081 -126.5658 -97.3874 763757.9979 9.5891 9.6837 PRESSURE: 926200 38.4915 75.8011 -37.8261 75.8008 220.794 198.253 -37.8256 198.253 -130.354 GPRESSURE: 926200 122.23 153.152 136.986 87.2965 214.484 141.371 -58.895 96.9946 -135.827 PRESSAVG: 926200 -12.6836 -27.3578 -15.3732 -27.3579 -0.175446 71.9263 -15.3732 71.9263 22.1731 GPRESSAVG: 926200 -11.2223 -28.1403 -13.9071 -26.8147 -1.98244 72.6565 -16.6658 70.4453 23.1854 TIMING: 926200 CPU: 2887.05, 0.00312197/step Wall: 2887.05, 0.00312197/step, 3.53285 hours remaining, 234.703125 MB of memory in use. ENERGY: 926200 3919.0720 20536.4338 14394.0177 236.5594 -203310.9569 3016.1931 0.0000 0.0000 51909.1126 -109299.5682 298.3224 -161208.6809 -108952.2210 298.5568 42.9771 66.9624 764619.4557 3.1047 3.3269 PRESSURE: 926400 -250.638 -93.0618 -27.9267 -93.0624 -154.677 92.5192 -27.9261 92.5184 -248.754 GPRESSURE: 926400 -231.481 -50.569 -7.51558 23.7142 -114.1 123.987 -8.17263 192.916 -229.211 PRESSAVG: 926400 -47.0618 -20.6446 6.89681 -20.6446 34.1328 -20.4113 6.89681 -20.4113 7.6977 GPRESSAVG: 926400 -46.9842 -18.3944 6.12457 -20.1843 34.3319 -20.6711 7.92867 -20.2362 7.37579 TIMING: 926400 CPU: 2887.68, 0.00311432/step Wall: 2887.68, 0.00311432/step, 3.52403 hours remaining, 234.703125 MB of memory in use. ENERGY: 926400 3967.2009 20445.0397 14375.2558 267.0346 -203011.0702 2740.2290 0.0000 0.0000 51918.7676 -109297.5425 298.3779 -161216.3101 -108918.5280 298.3019 -218.0232 -191.5975 766875.8095 -1.7438 -1.7589 PRESSURE: 926600 60.2033 26.8137 -202.753 26.8144 46.1046 56.8541 -202.753 56.8541 -171.529 GPRESSURE: 926600 150.47 18.9226 -256.374 49.3889 30.4617 23.2586 0.291962 -63.5293 -172.2 PRESSAVG: 926600 28.3894 -11.0561 -5.91582 -11.056 -40.7192 -12.9539 -5.91577 -12.9538 -10.4415 GPRESSAVG: 926600 28.2269 -12.88 -3.98503 -11.9371 -40.3619 -12.0158 -7.32881 -12.8601 -10.0536 TIMING: 926600 CPU: 2888.3, 0.00310639/step Wall: 2888.3, 0.00310638/step, 3.51487 hours remaining, 234.703125 MB of memory in use. ENERGY: 926600 3966.0659 20507.5041 14477.9598 252.1771 -203392.9357 2891.4773 0.0000 0.0000 52056.8583 -109240.8932 299.1715 -161297.7515 -108890.1336 298.2557 -21.7405 2.9108 764721.7288 -7.5904 -7.3962 PRESSURE: 926800 332.214 -80.712 73.5738 -80.7127 259.285 104.885 73.5725 104.884 -4.66826 GPRESSURE: 926800 365.832 10.7208 126.236 -107.531 234.042 3.10368 62.9172 207.611 72.0326 PRESSAVG: 926800 -20.4701 2.53835 23.2274 2.53832 6.6281 26.7383 23.2273 26.7382 8.60309 GPRESSAVG: 926800 -21.0067 3.88232 22.6834 2.74361 7.25497 23.8089 24.1494 25.8702 8.5186 TIMING: 926800 CPU: 2888.92, 0.0031239/step Wall: 2888.92, 0.0031239/step, 3.53452 hours remaining, 234.703125 MB of memory in use. ENERGY: 926800 3959.9225 20460.5942 14374.1640 233.0171 -203554.1499 3075.2226 0.0000 0.0000 52243.1292 -109208.1003 300.2420 -161451.2296 -108835.7147 298.5559 195.6102 223.9690 763138.5373 -1.7463 -1.7444 PRESSURE: 927000 -345.886 52.6654 171.504 52.6652 -87.0964 -31.9085 171.503 -31.9088 228.298 GPRESSURE: 927000 -274.913 98.6629 163.026 59.5606 -9.17798 -49.4256 283.341 54.4538 156.017 PRESSAVG: 927000 30.3196 -33.1957 23.3206 -33.1957 7.77023 -32.4729 23.3205 -32.4729 -1.36739 GPRESSAVG: 927000 28.6509 -35.191 21.8503 -32.154 8.98067 -30.6099 23.9792 -31.6252 -1.07265 TIMING: 927000 CPU: 2889.55, 0.0031232/step Wall: 2889.55, 0.0031232/step, 3.53355 hours remaining, 234.703125 MB of memory in use. ENERGY: 927000 3996.6110 20497.8827 14434.8569 265.4034 -203663.8568 3127.3594 0.0000 0.0000 52158.2030 -109183.5404 299.7539 -161341.7434 -108822.1518 298.6702 -68.2282 -42.6916 764353.6743 12.2408 12.1863 PRESSURE: 927200 19.6028 107.198 -48.241 107.199 190.54 237.861 -48.241 237.86 -192.123 GPRESSURE: 927200 69.4723 94.9703 -24.5143 5.49847 184.096 288.222 -59.1368 201.596 -174.618 PRESSAVG: 927200 -34.1856 -16.9511 24.1468 -16.9512 17.1365 -21.3806 24.1468 -21.3807 1.14788 GPRESSAVG: 927200 -31.932 -17.9881 24.8981 -16.8815 14.3832 -21.9305 22.796 -21.4914 1.24856 TIMING: 927200 CPU: 2890.17, 0.00312344/step Wall: 2890.17, 0.00312344/step, 3.53365 hours remaining, 234.703125 MB of memory in use. ENERGY: 927200 3903.8270 20425.4709 14493.2975 234.6568 -203575.1625 2993.8080 0.0000 0.0000 52109.1826 -109414.9197 299.4722 -161524.1023 -109053.0030 299.0961 6.0067 26.3169 762853.0114 -5.3004 -5.4334 PRESSURE: 927400 -92.7059 191.643 -154.409 191.642 -43.8825 -235.616 -154.409 -235.615 -167.258 GPRESSURE: 927400 37.7683 255.598 -74.7809 67.5945 -43.565 -257.606 -196.282 -42.5931 -217.359 PRESSAVG: 927400 20.2302 5.50264 -53.7866 5.50263 -25.0629 -7.13095 -53.7866 -7.13091 7.63336 GPRESSAVG: 927400 18.7823 7.83206 -54.1736 4.75089 -24.6614 -7.70111 -52.1061 -5.53377 8.53744 TIMING: 927400 CPU: 2890.8, 0.00314746/step Wall: 2890.8, 0.00314746/step, 3.56065 hours remaining, 234.703125 MB of memory in use. ENERGY: 927400 4004.6183 20585.6453 14485.8388 255.8259 -203708.8936 3002.2502 0.0000 0.0000 52053.9387 -109320.7764 299.1547 -161374.7150 -108957.4721 298.7004 -101.2821 -74.3851 763513.9526 0.9336 0.8861 PRESSURE: 927600 212.54 -91.0467 -96.7879 -91.0476 -183.306 -58.9773 -96.7872 -58.9773 14.8519 GPRESSURE: 927600 164.171 -52.8464 -179.807 -102.506 -94.433 -37.334 -102.941 7.71126 62.7491 PRESSAVG: 927600 32.9105 22.9636 -33.1595 22.9636 -16.6667 39.2845 -33.1595 39.2846 2.03331 GPRESSAVG: 927600 34.0141 21.3189 -34.2546 24.9239 -15.753 40.5775 -34.2004 37.9681 0.767506 TIMING: 927600 CPU: 2891.43, 0.00313548/step Wall: 2891.43, 0.00313548/step, 3.54692 hours remaining, 234.703125 MB of memory in use. ENERGY: 927600 4045.9098 20564.9516 14467.4402 239.3208 -203726.8892 3069.1598 0.0000 0.0000 52131.2381 -109208.8690 299.5989 -161340.1071 -108849.5875 298.7299 14.6953 44.1623 761858.2657 6.0924 6.3429 PRESSURE: 927800 -246.763 -201.828 -185.747 -201.828 -11.8768 174.302 -185.748 174.304 -434.856 GPRESSURE: 927800 -192.791 -169.829 -116.735 -129.958 -12.4918 177.767 -75.1649 124.76 -411.622 PRESSAVG: 927800 38.7985 -24.0835 -68.291 -24.0834 -40.492 -4.8244 -68.291 -4.8245 -21.1382 GPRESSAVG: 927800 38.7103 -23.2973 -66.3165 -24.8959 -41.3358 -5.0434 -69.0436 -4.80748 -19.6093 TIMING: 927800 CPU: 2892.06, 0.00313504/step Wall: 2892.06, 0.00313504/step, 3.54625 hours remaining, 234.703125 MB of memory in use. ENERGY: 927800 3990.7249 20668.0492 14497.1791 256.5994 -203187.5348 2725.9749 0.0000 0.0000 51784.1216 -109264.8858 297.6041 -161049.0075 -108898.6030 298.7249 -231.1653 -205.6351 763185.5364 -7.6106 -7.4116 PRESSURE: 928000 -263.007 164.662 44.956 164.661 -197.077 -131.007 44.9566 -131.008 -209.72 GPRESSURE: 928000 -194.726 138.781 5.61504 157.985 -177.929 -54.4242 162.667 -6.26096 -226.028 PRESSAVG: 928000 -32.1159 -3.64951 -7.2206 -3.64953 27.9986 83.5077 -7.22059 83.5077 -9.23564 GPRESSAVG: 928000 -32.7003 -2.96011 -9.28356 -4.66754 29.2975 84.7426 -6.5809 83.0384 -9.53388 TIMING: 928000 CPU: 2892.68, 0.00312798/step Wall: 2892.68, 0.00312798/step, 3.53809 hours remaining, 234.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 928000 3976.1269 20569.9130 14454.8476 232.2858 -203005.9210 2635.1255 0.0000 0.0000 51980.2259 -109157.3965 298.7311 -161137.6224 -108792.9926 299.0912 -223.2678 -199.5609 763960.3936 -4.4510 -4.3123 PRESSURE: 928200 281.736 2.60912 30.3266 2.6087 56.2929 -167.291 30.3269 -167.292 -21.382 GPRESSURE: 928200 318.007 15.5121 13.8378 -67.3316 109.569 -154.527 50.9048 19.6179 -22.5506 PRESSAVG: 928200 -18.2793 46.5722 -20.8635 46.5722 -5.44647 -9.42161 -20.8635 -9.4215 11.1107 GPRESSAVG: 928200 -17.0894 47.7271 -20.3219 47.2467 -5.96816 -10.56 -20.2464 -9.16927 10.3992 TIMING: 928200 CPU: 2893.31, 0.00313053/step Wall: 2893.31, 0.00313053/step, 3.5408 hours remaining, 234.703125 MB of memory in use. ENERGY: 928200 4070.6641 20554.1982 14425.1533 264.1263 -203333.6202 2959.2629 0.0000 0.0000 52002.1616 -109058.0538 298.8571 -161060.2154 -108693.2632 298.6771 105.5489 135.0083 763516.4151 -4.2050 -4.2195 LDB: ============= START OF LOAD BALANCING ============== 2905.79 LDB: ============== END OF LOAD BALANCING =============== 2905.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2905.79 LDB: ============= START OF LOAD BALANCING ============== 2906.1 LDB: Largest compute 7059 load 0.030607 is 15.7% of average load 0.195002 LDB: Average compute 0.004406 is 2.3% of average load 0.195002 LDB: TIME 2906.11 LOAD: AVG 0.195002 MAX 0.218636 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.801 MB LDB: TIME 2906.11 LOAD: AVG 0.195002 MAX 0.218636 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.801 MB LDB: TIME 2906.11 LOAD: AVG 0.195002 MAX 0.211744 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.801 MB LDB: ============== END OF LOAD BALANCING =============== 2906.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2906.12 PRESSURE: 928400 -109.756 -228.687 195.45 -228.688 119.203 -21.3567 195.45 -21.3577 -26.162 GPRESSURE: 928400 -84.8633 -86.0547 209.47 -238.379 206.676 -72.4948 162.883 42.1346 -50.0404 PRESSAVG: 928400 -14.376 28.2366 -18.964 28.2366 2.9545 -39.2867 -18.9641 -39.2866 0.00660157 GPRESSAVG: 928400 -15.3803 27.6814 -19.1641 27.9962 4.10627 -39.6646 -19.0759 -37.2952 0.707109 TIMING: 928400 CPU: 2893.95, 0.00321052/step Wall: 2893.95, 0.00321052/step, 3.6311 hours remaining, 235.023438 MB of memory in use. ENERGY: 928400 4029.8101 20433.3710 14467.5400 271.8918 -203410.7304 2995.2193 0.0000 0.0000 52039.1975 -109173.7007 299.0700 -161212.8982 -108802.8910 298.9148 -5.5715 23.9241 763637.2872 -3.8050 -3.5223 PRESSURE: 928600 -100.675 -75.5799 299.405 -75.5801 -187.257 -35.1583 299.404 -35.1579 -10.07 GPRESSURE: 928600 -51.024 -32.2115 224.141 -86.6135 -190.293 -98.0571 248.168 -61.5933 13.2775 PRESSAVG: 928600 14.4056 -0.421243 19.3283 -0.421214 19.1067 -27.2746 19.3283 -27.2745 5.37207 GPRESSAVG: 928600 14.8237 -1.09911 18.7496 -0.885436 17.9497 -27.2756 20.7351 -30.5556 5.97694 TIMING: 928600 CPU: 2894.58, 0.00313428/step Wall: 2894.58, 0.00313428/step, 3.5447 hours remaining, 235.023438 MB of memory in use. ENERGY: 928600 3956.7522 20432.4672 14449.0121 250.3380 -203365.3699 2938.8952 0.0000 0.0000 52116.4984 -109221.4067 299.5142 -161337.9051 -108852.1427 299.1811 -99.3339 -76.0130 765013.6066 12.9615 12.9168 PRESSURE: 928800 -127.376 19.1015 -247.414 19.1014 -111.172 39.4326 -247.414 39.4328 -101.014 GPRESSURE: 928800 -145.28 -44.8929 -258.488 240.722 -131.938 -64.9616 -137.057 26.1487 26.8102 PRESSAVG: 928800 -10.3697 10.9545 55.0001 10.9545 34.314 -4.23664 55.0001 -4.23671 20.9165 GPRESSAVG: 928800 -10.3545 11.5902 53.7632 10.2783 34.7055 -6.44785 56.0412 -2.73193 20.5206 TIMING: 928800 CPU: 2895.21, 0.00314634/step Wall: 2895.21, 0.00314634/step, 3.55816 hours remaining, 235.023438 MB of memory in use. ENERGY: 928800 3990.4855 20595.0044 14435.1865 257.2674 -203476.7385 2913.4840 0.0000 0.0000 51826.5641 -109458.7466 297.8480 -161285.3106 -109107.7957 298.4380 -113.1870 -83.4694 762551.6795 14.9536 14.9572 PRESSURE: 929000 14.1962 87.4481 16.5868 87.4486 3.66862 93.8468 16.5868 93.847 -84.461 GPRESSURE: 929000 5.25189 72.0467 -28.8261 83.4834 164.614 172.236 86.0419 133.824 -158.417 PRESSAVG: 929000 -17.963 44.4109 11.6203 44.4109 64.1154 -33.9718 11.6202 -33.9719 -0.699881 GPRESSAVG: 929000 -17.9368 43.6729 13.866 46.0426 64.9582 -31.1021 9.84058 -32.7323 -1.7979 TIMING: 929000 CPU: 2895.83, 0.00311806/step Wall: 2895.83, 0.00311806/step, 3.52601 hours remaining, 235.023438 MB of memory in use. ENERGY: 929000 4046.5199 20343.2782 14502.9868 268.3408 -203493.0300 2996.2952 0.0000 0.0000 51991.6451 -109343.9640 298.7967 -161335.6091 -108972.4529 298.3290 -22.1987 3.8163 763263.4026 15.1508 15.0745 PRESSURE: 929200 165.022 -2.27253 126.017 -2.27213 117.928 -23.1032 126.017 -23.1031 320.758 GPRESSURE: 929200 201.749 7.25406 -27.6513 20.3557 85.2826 66.9827 139.434 42.8244 392.494 PRESSAVG: 929200 -28.2381 12.7121 11.5387 12.7122 -1.90197 -2.19598 11.5387 -2.19597 -6.36877 GPRESSAVG: 929200 -28.5817 14.2118 9.97772 11.1325 -2.84041 -1.64988 10.1987 -5.52796 -5.37523 TIMING: 929200 CPU: 2896.45, 0.0031223/step Wall: 2896.45, 0.0031223/step, 3.53062 hours remaining, 235.023438 MB of memory in use. ENERGY: 929200 4067.6463 20484.1005 14382.4682 246.5791 -203922.7848 3321.8681 0.0000 0.0000 52136.3254 -109283.7973 299.6282 -161420.1226 -108919.1522 298.6124 201.2360 226.5087 762708.0782 -12.1696 -12.2658 PRESSURE: 929400 70.8454 -67.8734 73.4953 -67.8734 -57.549 -190.956 73.4954 -190.957 308.537 GPRESSURE: 929400 27.4529 -145.836 88.1963 -120.549 49.6123 -139.647 56.5376 -136.916 296.884 PRESSAVG: 929400 -19.2661 -36.4951 58.3727 -36.4951 -29.3774 12.521 58.3726 12.5211 29.525 GPRESSAVG: 929400 -20.0338 -37.2623 59.0606 -35.3906 -28.875 11.6752 60.1764 14.8418 30.1326 TIMING: 929400 CPU: 2897.08, 0.00314989/step Wall: 2897.08, 0.00314989/step, 3.56165 hours remaining, 235.023438 MB of memory in use. ENERGY: 929400 3936.3887 20736.4089 14434.9761 255.9877 -203293.0507 2832.2523 0.0000 0.0000 52054.5947 -109042.4423 299.1585 -161097.0371 -108694.2244 298.9957 107.2779 124.6498 763599.5494 -6.3728 -6.2587 PRESSURE: 929600 26.38 76.0983 33.9327 76.0978 -75.7228 -156.764 33.933 -156.765 279.411 GPRESSURE: 929600 47.3598 28.1369 29.6969 131.23 -37.506 -121.666 108.598 -175.029 307.164 PRESSAVG: 929600 -20.2346 -32.5268 26.4295 -32.5268 -20.2488 30.4877 26.4295 30.4877 -0.701958 GPRESSAVG: 929600 -18.4619 -34.0969 26.7441 -31.8537 -20.7596 30.1767 26.8991 30.8227 -1.82213 TIMING: 929600 CPU: 2897.71, 0.00313682/step Wall: 2897.71, 0.00313682/step, 3.5467 hours remaining, 235.023438 MB of memory in use. ENERGY: 929600 3997.7074 20542.1660 14336.3327 261.3513 -202988.9092 3006.4950 0.0000 0.0000 51858.7544 -108986.1024 298.0330 -160844.8568 -108628.4569 299.3858 76.6893 105.6725 764932.7068 -13.7285 -13.6812 PRESSURE: 929800 130.674 -144.512 133.377 -144.512 -51.453 14.452 133.377 14.4513 241.488 GPRESSURE: 929800 42.744 64.6608 215.104 -241.721 43.6155 62.4027 233.283 61.4728 299.404 PRESSAVG: 929800 -4.83269 88.1915 47.2733 88.1915 -8.03749 -10.2243 47.2732 -10.2244 -10.6295 GPRESSAVG: 929800 -5.9123 91.0898 47.6263 87.2277 -7.25158 -9.98409 44.7461 -9.38853 -10.1234 TIMING: 929800 CPU: 2898.34, 0.00313268/step Wall: 2898.34, 0.00313268/step, 3.54184 hours remaining, 235.023438 MB of memory in use. ENERGY: 929800 4021.3264 20555.3955 14458.0993 256.3349 -202640.3075 2671.4700 0.0000 0.0000 51903.6852 -108773.9963 298.2912 -160677.6815 -108405.8007 299.1428 106.9031 128.5878 764199.6549 -7.8332 -7.7624 PRESSURE: 930000 -188.114 -6.21224 -158.505 -6.21176 -218.535 -296.485 -158.504 -296.486 748.259 GPRESSURE: 930000 -173.749 -21.7644 -177.111 79.5391 -84.5256 -252.124 -36.1463 -243.594 682.175 PRESSAVG: 930000 -0.803464 -17.4544 -37.2927 -17.4545 -25.3754 27.7763 -37.2926 27.7764 -3.60401 GPRESSAVG: 930000 -0.840511 -18.602 -38.4773 -16.6031 -25.2088 28.0361 -34.0373 26.3925 -4.00355 TIMING: 930000 CPU: 2898.97, 0.00313924/step Wall: 2898.97, 0.00313924/step, 3.54909 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 930000 4010.7035 20679.4374 14371.2639 229.8202 -203087.6635 3053.1991 0.0000 0.0000 51881.4658 -108861.7737 298.1635 -160743.2395 -108498.8817 299.5489 113.8700 141.3001 764604.7627 -9.9276 -10.0176 PRESSURE: 930200 377.947 265.703 -76.3473 265.703 40.9264 101.138 -76.3463 101.139 169.938 GPRESSURE: 930200 356.945 218.861 -24.4302 275.948 67.8451 8.18538 -43.1298 86.7146 247.271 PRESSAVG: 930200 45.6733 17.7198 2.90647 17.7198 -28.537 65.8322 2.90646 65.8323 0.110916 GPRESSAVG: 930200 46.6068 17.1844 4.76093 18.506 -30.0479 65.0913 2.1487 65.6664 1.15488 TIMING: 930200 CPU: 2899.59, 0.00313652/step Wall: 2899.59, 0.00313652/step, 3.54583 hours remaining, 235.023438 MB of memory in use. ENERGY: 930200 4022.1137 20418.7553 14396.7947 243.6878 -203601.9033 3245.4551 0.0000 0.0000 52465.9299 -108809.1669 301.5224 -161275.0968 -108442.3578 300.0696 196.2706 224.0204 761763.8334 5.7491 5.9046 PRESSURE: 930400 -582.877 3.67333 -20.9487 3.67348 -332.056 -94.4425 -20.9482 -94.4421 94.4568 GPRESSURE: 930400 -523.975 52.1711 4.78488 44.9775 -293.706 -6.52472 57.5476 -102.694 82.209 PRESSAVG: 930400 66.4401 45.5966 -19.543 45.5966 -31.1874 3.30543 -19.5431 3.30542 11.844 GPRESSAVG: 930400 65.4701 46.4701 -21.7379 46.7576 -30.0538 3.93085 -20.0363 4.45098 11.2454 TIMING: 930400 CPU: 2900.22, 0.00314523/step Wall: 2900.22, 0.00314523/step, 3.55551 hours remaining, 235.023438 MB of memory in use. ENERGY: 930400 3971.4680 20572.5125 14407.9290 233.0828 -203142.4231 2770.2330 0.0000 0.0000 52114.4286 -109072.7692 299.5023 -161187.1978 -108714.6908 299.4489 -273.4922 -245.1571 764725.1693 15.6989 15.5539 PRESSURE: 930600 42.9541 -90.723 -48.8945 -90.7232 166.015 -105.832 -48.8952 -105.832 212.803 GPRESSURE: 930600 87.9882 -89.2225 -156.547 -176.199 207.964 -154.61 24.7703 -109.095 212.673 PRESSAVG: 930600 43.5454 43.4526 -19.7748 43.4526 -47.8515 12.7818 -19.7747 12.7818 -0.526101 GPRESSAVG: 930600 43.8734 42.7315 -17.9078 41.5726 -48.5791 12.086 -20.019 11.162 0.474953 TIMING: 930600 CPU: 2900.84, 0.00311382/step Wall: 2900.84, 0.00311383/step, 3.51983 hours remaining, 235.023438 MB of memory in use. ENERGY: 930600 3996.8690 20812.0251 14419.3773 264.7002 -203366.8759 3055.5722 0.0000 0.0000 51862.1773 -108956.1548 298.0526 -160818.3321 -108596.0724 299.2311 140.5904 169.5417 763727.5447 -1.6107 -1.4102 PRESSURE: 930800 254.885 -19.6899 -72.2876 -19.6905 158.814 4.07017 -72.287 4.06993 17.6631 GPRESSURE: 930800 271.119 96.1613 -37.6166 -115.493 150.24 -86.5207 -15.2673 -71.0525 99.014 PRESSAVG: 930800 6.73198 28.9895 36.0064 28.9895 -31.6273 -27.1157 36.0064 -27.1158 -1.02617 GPRESSAVG: 930800 5.64723 28.7759 34.7265 28.8456 -30.7808 -25.3626 35.2588 -26.3871 -1.43268 TIMING: 930800 CPU: 2901.47, 0.00312965/step Wall: 2901.47, 0.00312965/step, 3.53755 hours remaining, 235.023438 MB of memory in use. ENERGY: 930800 3953.0657 20743.5781 14456.3612 234.7065 -203346.4938 3072.3355 0.0000 0.0000 52030.8519 -108855.5950 299.0220 -160886.4469 -108501.9087 299.6400 143.7874 173.4579 764524.8430 -8.6405 -8.8554 PRESSURE: 931000 113.94 60.1235 -13.3509 60.1244 -17.2173 58.607 -13.3504 58.6069 105.092 GPRESSURE: 931000 46.7774 -30.3526 62.4382 -38.1532 48.5279 -16.2056 -13.2181 -58.3418 187.495 PRESSAVG: 931000 -5.13647 67.577 18.3944 67.577 42.0701 22.5328 18.3944 22.5327 -3.69456 GPRESSAVG: 931000 -5.61643 66.59 18.6036 67.5373 42.018 20.3155 19.884 23.3167 -2.87888 TIMING: 931000 CPU: 2902.09, 0.0031137/step Wall: 2902.09, 0.0031137/step, 3.51934 hours remaining, 235.023438 MB of memory in use. ENERGY: 931000 3955.9508 20457.6098 14423.3016 250.4269 -203274.9394 2864.7736 0.0000 0.0000 52332.0567 -108990.8199 300.7530 -161322.8767 -108618.5599 299.6411 67.2718 94.2668 764236.5399 11.0797 11.1742 PRESSURE: 931200 -296.256 -12.4515 -17.1185 -12.4513 -329.131 218.698 -17.1188 218.698 -72.5822 GPRESSURE: 931200 -235.504 -87.5176 -53.2404 31.0962 -299.633 68.0782 -60.4635 269.084 -64.5577 PRESSAVG: 931200 14.163 19.1068 -11.0865 19.1068 13.7354 40.2903 -11.0865 40.2904 11.0747 GPRESSAVG: 931200 16.6045 19.9117 -10.5247 21.3491 12.9238 41.5998 -11.3183 41.3174 9.39492 TIMING: 931200 CPU: 2902.72, 0.00311933/step Wall: 2902.72, 0.00311933/step, 3.52553 hours remaining, 235.023438 MB of memory in use. ENERGY: 931200 4031.1285 20538.4791 14463.2709 243.6514 -202921.2625 2633.0202 0.0000 0.0000 52011.7686 -108999.9438 298.9123 -161011.7124 -108633.2444 299.3308 -232.6564 -199.8983 764612.5199 12.9910 12.9744 PRESSURE: 931400 -444.756 94.7495 -38.6971 94.7509 -168.805 154.718 -38.6968 154.718 227.422 GPRESSURE: 931400 -397.575 -37.8995 24.0302 148.708 -75.7093 92.8122 8.79177 69.8026 165.353 PRESSAVG: 931400 15.3094 16.7021 -36.9365 16.7021 -14.9226 29.5742 -36.9365 29.5742 5.21057 GPRESSAVG: 931400 15.0343 15.888 -35.1846 16.196 -14.3371 30.3916 -38.2577 28.5806 4.94447 TIMING: 931400 CPU: 2903.34, 0.00313034/step Wall: 2903.34, 0.00313034/step, 3.5378 hours remaining, 235.023438 MB of memory in use. ENERGY: 931400 4032.6349 20472.4290 14372.9999 260.2654 -202900.9991 2840.0701 0.0000 0.0000 51830.4801 -109092.1197 297.8705 -160922.5998 -108730.8814 298.9552 -128.7130 -102.6439 765895.0668 1.8658 1.8805 PRESSURE: 931600 404.72 -76.3927 -110.564 -76.393 288.705 98.1308 -110.564 98.1322 71.883 GPRESSURE: 931600 447.906 -39.5787 -19.6683 -112.884 272.735 135.507 -93.4536 85.8509 124.731 PRESSAVG: 931600 27.2193 19.8111 -30.8077 19.811 -23.1677 -39.7548 -30.8077 -39.7547 4.95262 GPRESSAVG: 931600 26.7516 22.6371 -32.4182 16.9757 -22.354 -39.0837 -28.0879 -40.7067 4.5047 TIMING: 931600 CPU: 2903.97, 0.0031329/step Wall: 2903.97, 0.0031329/step, 3.54053 hours remaining, 235.023438 MB of memory in use. ENERGY: 931600 3970.2995 20544.3304 14387.9438 255.0982 -203532.4445 3254.8723 0.0000 0.0000 52172.2154 -108947.6849 299.8344 -161119.9003 -108603.5933 298.4864 255.1026 281.7906 762811.9793 3.0014 2.9674 PRESSURE: 931800 11.4091 63.1755 227.499 63.1762 382.801 -183.497 227.5 -183.495 -217.744 GPRESSURE: 931800 81.2174 9.53515 131.094 -15.2532 290.157 -164.27 163.531 -119.738 -103.43 PRESSAVG: 931800 -21.9892 15.6997 23.4938 15.6997 43.4267 -9.0058 23.4938 -9.00575 1.31405 GPRESSAVG: 931800 -22.4045 14.1179 23.0592 15.9773 42.1385 -9.22613 22.3239 -7.04234 2.85835 TIMING: 931800 CPU: 2904.59, 0.00311463/step Wall: 2904.59, 0.00311463/step, 3.5197 hours remaining, 235.023438 MB of memory in use. ENERGY: 931800 3895.6423 20493.6152 14387.6670 271.5938 -202677.1168 2660.4709 0.0000 0.0000 51910.7721 -109057.3555 298.3319 -160968.1276 -108691.2403 299.4176 58.8221 89.3148 763685.8809 7.5839 7.5308 PRESSURE: 932000 184.693 -52.7223 257.458 -52.7219 -104.546 73.3363 257.459 73.3369 6.13762 GPRESSURE: 932000 99.2809 -32.1218 210.344 7.83832 -12.3149 57.3147 342.047 42.3469 74.0132 PRESSAVG: 932000 -50.9656 -10.3954 0.0339018 -10.3955 61.1925 -4.68046 0.0339243 -4.68043 3.56244 GPRESSAVG: 932000 -50.8757 -11.0947 0.030747 -9.77485 60.9568 -5.77416 -1.22718 -4.5048 3.62652 TIMING: 932000 CPU: 2905.21, 0.00310113/step Wall: 2905.21, 0.00310113/step, 3.50427 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 932000 4035.2277 20379.1974 14401.7431 224.0617 -203164.5278 2871.3076 0.0000 0.0000 52016.8480 -109236.1423 298.9415 -161252.9904 -108876.1455 299.2594 28.7617 53.6597 761970.1558 4.5964 4.5692 PRESSURE: 932200 -411.409 -58.6308 -96.9445 -58.6305 36.4401 243.27 -96.9444 243.271 -146.615 GPRESSURE: 932200 -318.725 -11.3837 -197.159 -87.1737 32.2606 139.773 -93.6199 241.449 -157.427 PRESSAVG: 932200 -0.395453 12.6456 19.6157 12.6457 10.1329 22.9544 19.6157 22.9545 17.6809 GPRESSAVG: 932200 -0.0329767 14.2328 19.2396 11.9308 10.0149 23.5241 20.2481 21.4409 17.4302 TIMING: 932200 CPU: 2905.83, 0.00310519/step Wall: 2905.83, 0.00310519/step, 3.50869 hours remaining, 235.023438 MB of memory in use. ENERGY: 932200 4045.0620 20345.4415 14369.3343 239.7942 -203303.5090 3074.1281 0.0000 0.0000 51832.6698 -109397.0791 297.8831 -161229.7489 -109029.9162 297.9834 -173.8612 -147.9635 765185.9487 9.1394 9.1374 LDB: ============= START OF LOAD BALANCING ============== 2918.31 LDB: ============== END OF LOAD BALANCING =============== 2918.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2918.31 LDB: ============= START OF LOAD BALANCING ============== 2918.62 LDB: Largest compute 7059 load 0.031693 is 16.3% of average load 0.194977 LDB: Average compute 0.004414 is 2.3% of average load 0.194977 LDB: TIME 2918.63 LOAD: AVG 0.194977 MAX 0.214518 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.109 MB LDB: TIME 2918.63 LOAD: AVG 0.194977 MAX 0.214518 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.109 MB LDB: TIME 2918.63 LOAD: AVG 0.194977 MAX 0.214518 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.109 MB LDB: ============== END OF LOAD BALANCING =============== 2918.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 2918.64 Info: useSync: 0 useProxySync: 0 PRESSURE: 932400 -366.319 -150.11 90.9857 -150.11 -303.592 -235.781 90.985 -235.78 -212.081 GPRESSURE: 932400 -369.81 -51.5299 8.61385 -144.706 -197.685 -263.568 154.178 66.3185 -249.17 PRESSAVG: 932400 12.2778 -16.779 -5.05515 -16.779 -25.2898 26.7869 -5.05516 26.7869 -23.4186 GPRESSAVG: 932400 11.8453 -16.9345 -5.78069 -17.431 -24.0475 27.473 -3.19525 27.9186 -24.248 TIMING: 932400 CPU: 2906.47, 0.00317776/step Wall: 2906.47, 0.00317776/step, 3.59051 hours remaining, 237.132812 MB of memory in use. ENERGY: 932400 4024.5733 20354.4751 14458.7518 224.9880 -203091.7659 2756.8515 0.0000 0.0000 51940.8345 -109331.2915 298.5047 -161272.1261 -108967.6486 297.8214 -293.9971 -272.2217 765944.5084 -12.1435 -12.1501 PRESSURE: 932600 -75.4102 -75.7533 145.137 -75.7532 -51.7843 49.131 145.137 49.1317 256.836 GPRESSURE: 932600 55.5834 -105.09 91.7982 -44.8976 -45.7214 -6.04979 200.121 60.6047 191.726 PRESSAVG: 932600 32.6379 -46.4401 24.9058 -46.4401 -32.5365 -29.8617 24.9058 -29.8616 -10.8198 GPRESSAVG: 932600 32.8866 -49.0015 26.2672 -43.8469 -32.4288 -31.0177 23.8117 -30.3926 -11.349 TIMING: 932600 CPU: 2907.09, 0.00312014/step Wall: 2907.09, 0.00312014/step, 3.52523 hours remaining, 237.199219 MB of memory in use. ENERGY: 932600 3977.5108 20382.8610 14470.6781 253.8997 -203385.8125 3023.0356 0.0000 0.0000 52015.1665 -109262.6608 298.9319 -161277.8273 -108889.4240 298.4593 43.2137 67.1960 763384.0328 -3.5728 -3.6304 PRESSURE: 932800 61.8283 35.5141 147.268 35.5134 -80.9633 53.2005 147.267 53.2002 58.4822 GPRESSURE: 932800 55.4877 -6.97955 32.4533 110.43 35.6982 69.3905 48.3601 287.624 31.8829 PRESSAVG: 932800 18.4874 -48.3134 12.3735 -48.3134 -16.5487 -3.29316 12.3735 -3.29317 21.415 GPRESSAVG: 932800 18.5091 -47.1383 11.9852 -48.8638 -16.6667 -2.22836 11.6041 -3.3473 21.0777 TIMING: 932800 CPU: 2907.72, 0.00311785/step Wall: 2907.72, 0.00311785/step, 3.52247 hours remaining, 237.199219 MB of memory in use. ENERGY: 932800 4001.2544 20369.4368 14458.5500 233.8621 -203427.6084 3022.2937 0.0000 0.0000 52158.4864 -109183.7249 299.7555 -161342.2113 -108828.5706 298.9277 13.1158 41.0229 762956.0537 7.7846 7.6400 PRESSURE: 933000 267.695 84.2794 132.472 84.2796 -23.0177 22.2579 132.473 22.2577 410.919 GPRESSURE: 933000 290.366 71.3642 171.174 25.5254 50.146 13.9874 93.2972 -84.7788 412.54 PRESSAVG: 933000 -7.68185 2.51132 -17.7776 2.5114 -16.4465 -31.253 -17.7775 -31.2531 1.53203 GPRESSAVG: 933000 -9.04422 2.05376 -18.0669 0.761366 -16.5893 -30.3079 -16.5655 -31.8276 3.02622 TIMING: 933000 CPU: 2908.34, 0.00311764/step Wall: 2908.34, 0.00311764/step, 3.52207 hours remaining, 237.199219 MB of memory in use. ENERGY: 933000 3878.3067 20398.6375 14420.8592 247.3862 -203605.0093 3300.0272 0.0000 0.0000 52375.1970 -108984.5955 301.0010 -161359.7925 -108619.4639 299.4717 218.5318 251.0174 764113.5059 -7.5321 -7.5358 PRESSURE: 933200 -212.06 48.4105 -286.339 48.4107 -298.875 -223.524 -286.339 -223.523 116.036 GPRESSURE: 933200 -133.922 20.8548 -230.809 -30.4968 -281.309 -210.459 -127.008 -116.596 111.534 PRESSAVG: 933200 -19.4796 -58.2883 14.0305 -58.2883 14.4849 -27.6175 14.0306 -27.6175 6.48194 GPRESSAVG: 933200 -17.8461 -57.3716 15.9025 -59.4027 14.5482 -29.025 12.5264 -27.0053 4.56709 TIMING: 933200 CPU: 2908.96, 0.00311648/step Wall: 2908.96, 0.00311649/step, 3.52059 hours remaining, 237.199219 MB of memory in use. ENERGY: 933200 3990.8997 20606.0597 14488.1928 236.4459 -203296.8318 2922.7181 0.0000 0.0000 52170.6312 -108881.8844 299.8253 -161052.5156 -108515.9102 299.7020 -131.6330 -101.2324 762846.9533 0.4957 0.4230 PRESSURE: 933400 157.386 77.0234 -73.4632 77.0228 31.3766 -8.79911 -73.4627 -8.79866 -247.914 GPRESSURE: 933400 129.347 -73.2239 -66.4723 73.9832 92.7683 -3.94907 -42.1981 56.2965 -201.687 PRESSAVG: 933400 33.3802 13.5802 36.0692 13.5802 -20.4108 -32.4699 36.0692 -32.47 -14.0639 GPRESSAVG: 933400 33.2672 13.8741 35.6883 14.1775 -20.7141 -31.945 36.1887 -31.2217 -13.5695 TIMING: 933400 CPU: 2909.59, 0.00313124/step Wall: 2909.59, 0.00313124/step, 3.53709 hours remaining, 237.199219 MB of memory in use. ENERGY: 933400 3998.7734 20576.0363 14464.1327 261.1208 -202942.4487 2682.3358 0.0000 0.0000 51949.7323 -109010.3174 298.5558 -160960.0497 -108642.4754 300.0900 -19.7171 6.8095 763716.1623 -0.3648 -0.3388 PRESSURE: 933600 621.676 -9.30145 -77.724 -9.30076 45.9129 32.6642 -77.7243 32.665 456.781 GPRESSURE: 933600 547.904 -119.912 -85.2466 24.8137 165.477 46.6728 -71.2611 -2.82065 468.125 PRESSAVG: 933600 15.5627 27.052 -9.36769 27.052 -24.5135 -37.3895 -9.3676 -37.3895 -5.86497 GPRESSAVG: 933600 15.3072 24.7657 -6.79938 27.1587 -25.5697 -37.0952 -9.9428 -38.9335 -4.87248 TIMING: 933600 CPU: 2910.22, 0.00313978/step Wall: 2910.22, 0.00313978/step, 3.54656 hours remaining, 237.199219 MB of memory in use. ENERGY: 933600 3976.9808 20711.2053 14393.4526 230.6484 -203333.9674 3050.0395 0.0000 0.0000 52236.4254 -108735.2155 300.2035 -160971.6408 -108372.5212 299.9387 374.7897 393.8356 762113.6074 -4.9386 -5.0450 PRESSURE: 933800 -248.24 -170.329 -178.903 -170.328 171.631 260.156 -178.904 260.155 23.3424 GPRESSURE: 933800 -226.251 -63.772 -191.148 -158.538 219.71 240.389 -11.4931 172.652 19.5312 PRESSAVG: 933800 19.6866 6.15561 23.8917 6.15561 -5.84939 17.5213 23.8916 17.5213 8.83952 GPRESSAVG: 933800 18.7848 6.862 21.7362 6.27025 -5.15274 17.1593 25.5108 15.6726 9.00098 TIMING: 933800 CPU: 2910.84, 0.00310238/step Wall: 2910.84, 0.00310238/step, 3.50414 hours remaining, 237.199219 MB of memory in use. ENERGY: 933800 3999.9410 20527.7292 14397.0180 266.2590 -203101.6652 2779.1102 0.0000 0.0000 52120.6770 -109010.9308 299.5382 -161131.6078 -108644.2143 300.0884 -17.7558 4.3302 764066.3227 7.5589 7.5444 PRESSURE: 934000 230.198 12.9141 52.5196 12.9145 -161.733 91.5821 52.5198 91.5825 -303.943 GPRESSURE: 934000 235.292 -13.1561 72.5386 -36.7085 -90.4362 69.5349 -41.0191 -15.732 -302.382 PRESSAVG: 934000 39.5536 -0.204675 62.5995 -0.204698 -29.58 -17.684 62.5994 -17.684 1.4505 GPRESSAVG: 934000 39.1964 0.401474 62.7882 1.06268 -29.0928 -17.4656 60.5771 -15.5888 1.20081 TIMING: 934000 CPU: 2911.46, 0.00311396/step Wall: 2911.46, 0.00311396/step, 3.51704 hours remaining, 237.199219 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: 934000 3942.3910 20732.7163 14409.0670 244.9408 -203060.8069 2788.9468 0.0000 0.0000 52016.3192 -108926.4260 298.9385 -160942.7452 -108569.4922 299.3800 -78.4929 -52.5089 763232.4540 3.8080 3.7681 PRESSURE: 934200 -303.156 87.4591 -159.04 87.4598 -22.9287 -183.98 -159.04 -183.979 48.4712 GPRESSURE: 934200 -242.662 103.883 -66.9338 83.2694 24.6905 -177.546 -47.7215 -259.863 24.6966 PRESSAVG: 934200 -25.7847 7.55758 21.4412 7.55756 -6.19296 -28.7275 21.4412 -28.7276 -2.15249 GPRESSAVG: 934200 -23.5365 8.83846 22.5545 6.57109 -8.89189 -30.4002 21.876 -28.8531 -1.61072 TIMING: 934200 CPU: 2912.09, 0.00311924/step Wall: 2912.09, 0.00311924/step, 3.52284 hours remaining, 237.199219 MB of memory in use. ENERGY: 934200 4097.9543 20578.0636 14421.1472 231.5366 -203393.7588 2833.1040 0.0000 0.0000 52460.0565 -108771.8966 301.4887 -161231.9531 -108412.4061 299.5775 -92.5379 -64.4249 762862.5370 -11.3767 -11.3464 PRESSURE: 934400 261.722 257.424 129.45 257.424 -118.361 68.9936 129.451 68.9945 -29.1195 GPRESSURE: 934400 439.616 169.605 177.222 152.38 -196.908 73.5101 36.383 72.2011 -28.3244 PRESSAVG: 934400 -14.7167 25.0134 32.0628 25.0134 42.8184 -14.815 32.0628 -14.815 4.5676 GPRESSAVG: 934400 -14.6304 23.0719 30.2299 24.5597 43.009 -12.8417 32.4011 -14.6793 4.10725 TIMING: 934400 CPU: 2912.71, 0.00310289/step Wall: 2912.71, 0.00310289/step, 3.5042 hours remaining, 237.199219 MB of memory in use. ENERGY: 934400 4032.4398 20697.7932 14398.7083 254.1199 -203349.7824 2828.3077 0.0000 0.0000 52069.1222 -109069.2912 299.2420 -161138.4134 -108711.8854 299.8587 38.0806 71.4611 763690.1785 10.8898 10.8286 PRESSURE: 934600 -388.255 57.7859 -264.996 57.7864 41.1944 -35.0507 -264.996 -35.05 -106.811 GPRESSURE: 934600 -386.139 111.751 -270.552 74.4897 82.9437 -12.1134 -313.699 -104.872 -42.0951 PRESSAVG: 934600 -31.4148 -49.7725 -6.22815 -49.7725 28.508 12.164 -6.22811 12.164 6.04313 GPRESSAVG: 934600 -33.0474 -48.9543 -7.21805 -49.556 28.3613 11.6436 -5.26003 11.7023 7.60122 TIMING: 934600 CPU: 2913.33, 0.00310729/step Wall: 2913.33, 0.00310729/step, 3.509 hours remaining, 237.199219 MB of memory in use. ENERGY: 934600 4015.1053 20487.1172 14395.2816 250.1100 -203350.8909 2792.9725 0.0000 0.0000 52297.8457 -109112.4585 300.5564 -161410.3042 -108736.4157 299.6390 -151.2904 -115.0967 762484.6216 1.0454 0.9717 PRESSURE: 934800 133.298 77.7788 270.666 77.7789 -29.6654 157.744 270.665 157.745 -44.6676 GPRESSURE: 934800 50.3872 57.4139 247.935 83.1436 100.851 197.63 243.961 69.2784 -18.2214 PRESSAVG: 934800 13.2127 -20.5219 15.5564 -20.522 0.405175 0.810108 15.5563 0.810034 23.7663 GPRESSAVG: 934800 12.2015 -19.5699 16.8072 -22.4054 2.49197 1.77437 15.8385 1.4361 22.7128 TIMING: 934800 CPU: 2913.95, 0.00310459/step Wall: 2913.95, 0.00310459/step, 3.50577 hours remaining, 237.199219 MB of memory in use. ENERGY: 934800 4053.5938 20438.7053 14424.0063 241.3368 -203449.0552 2777.6879 0.0000 0.0000 52326.4042 -109187.3209 300.7206 -161513.7250 -108816.7569 299.4233 19.6551 44.3390 760628.2639 12.4614 12.4688 PRESSURE: 935000 -187.653 -26.7579 -38.8174 -26.7573 139.13 452.21 -38.8168 452.21 102.423 GPRESSURE: 935000 -142.719 -237.424 -57.343 -88.4585 188.645 556.922 -56.3317 409.724 103.481 PRESSAVG: 935000 9.12128 24.8077 17.4679 24.8076 7.34069 55.4521 17.4678 55.4521 0.525853 GPRESSAVG: 935000 10.743 23.322 17.0588 24.5277 6.8401 55.0645 17.0635 54.3574 0.195321 TIMING: 935000 CPU: 2914.57, 0.00311512/step Wall: 2914.57, 0.00311512/step, 3.51749 hours remaining, 237.199219 MB of memory in use. ENERGY: 935000 3966.0968 20627.9235 14415.5967 238.8898 -203148.8509 2841.3628 0.0000 0.0000 51973.2660 -109085.7153 298.6911 -161058.9813 -108717.0436 299.2957 17.9668 49.8024 763926.6645 5.6626 5.9261 PRESSURE: 935200 -110.828 -64.153 -13.0279 -64.1524 -79.1281 -93.6804 -13.0286 -93.6808 -26.1705 GPRESSURE: 935200 -70.0337 -71.7283 18.2951 -59.8531 -52.0222 -144.742 -18.4896 -137.374 -18.9937 PRESSAVG: 935200 -35.0824 -62.4717 -27.3109 -62.4717 5.64686 56.8776 -27.3109 56.8775 29.8294 GPRESSAVG: 935200 -35.946 -59.8468 -25.8231 -62.7902 5.7737 55.6876 -29.1148 58.4711 30.9408 TIMING: 935200 CPU: 2915.19, 0.00310303/step Wall: 2915.19, 0.00310303/step, 3.50366 hours remaining, 237.199219 MB of memory in use. ENERGY: 935200 3997.0574 20505.3172 14351.3867 282.1287 -203025.5246 2640.9730 0.0000 0.0000 52201.4385 -109047.2232 300.0024 -161248.6616 -108669.6526 299.2092 -72.0422 -47.0165 764101.4615 0.1313 0.2562 PRESSURE: 935400 -6.51905 -20.9555 1.67782 -20.9558 -67.3025 286.001 1.67792 286.002 -27.042 GPRESSURE: 935400 -36.2489 -9.97597 20.5915 -16.8246 15.919 249.228 71.9611 163.076 5.62183 PRESSAVG: 935400 -28.2411 25.2988 -22.8116 25.2987 -12.0265 -49.0719 -22.8116 -49.0719 4.0389 GPRESSAVG: 935400 -27.634 24.277 -25.1563 27.0797 -11.699 -49.0562 -20.935 -51.479 3.05005 TIMING: 935400 CPU: 2915.81, 0.00311285/step Wall: 2915.81, 0.00311285/step, 3.51458 hours remaining, 237.199219 MB of memory in use. ENERGY: 935400 4077.3998 20581.5339 14372.0912 246.6119 -203442.1726 3096.1882 0.0000 0.0000 52212.8830 -108855.4645 300.0682 -161068.3475 -108483.1354 299.2183 -33.6212 -4.9027 762232.4779 -12.0763 -12.0943 PRESSURE: 935600 -71.7212 -42.9804 160.809 -42.9808 -172.346 -252.792 160.809 -252.791 180.309 GPRESSURE: 935600 11.3451 -34.1695 145.599 -39.7068 -148.113 -283.608 109.997 -102.796 162.774 PRESSAVG: 935600 -22.4845 67.594 24.9533 67.594 2.25525 -32.0812 24.9533 -32.0813 15.1676 GPRESSAVG: 935600 -22.1136 66.3045 25.9829 68.1771 2.25771 -31.3723 24.7059 -31.6547 14.6654 TIMING: 935600 CPU: 2916.44, 0.00311956/step Wall: 2916.44, 0.00311956/step, 3.52198 hours remaining, 237.199219 MB of memory in use. ENERGY: 935600 3999.7009 20677.4750 14356.8051 249.8024 -203166.9598 2770.8364 0.0000 0.0000 52217.1937 -108895.1464 300.0929 -161112.3401 -108535.0363 299.2068 -21.2526 8.6687 763708.5892 -1.6872 -1.7302 PRESSURE: 935800 -19.8778 -109.524 16.2969 -109.525 94.1076 -28.0834 16.2981 -28.0842 283.958 GPRESSURE: 935800 0.0107814 -24.8859 98.0151 -162.311 173.962 110.432 37.5355 -80.6432 267.492 PRESSAVG: 935800 -52.848 -15.5774 6.0395 -15.5774 72.4317 26.7934 6.03948 26.7935 38.0325 GPRESSAVG: 935800 -52.9126 -14.8004 7.64424 -16.5755 72.6215 26.7253 5.72411 27.4996 38.0125 TIMING: 935800 CPU: 2917.06, 0.00312646/step Wall: 2917.06, 0.00312646/step, 3.5296 hours remaining, 237.199219 MB of memory in use. ENERGY: 935800 4028.3733 20760.1179 14452.9816 271.7423 -203067.3082 2729.1080 0.0000 0.0000 52065.9218 -108759.0633 299.2236 -160824.9852 -108396.6850 299.8716 119.3960 147.1549 761968.2593 19.2054 19.2405 PRESSURE: 936000 23.4513 -221.672 77.8123 -221.672 220.835 -135.758 77.8119 -135.758 -1.10454 GPRESSURE: 936000 43.8231 -192.383 54.408 -99.0025 282.048 -134.598 16.9519 -33.7024 0.64626 PRESSAVG: 936000 -46.9736 -2.08185 -9.37609 -2.08185 61.8992 8.77142 -9.37605 8.77151 -3.79204 GPRESSAVG: 936000 -45.9359 -1.10884 -10.4 -2.53113 61.6186 8.80481 -8.03796 9.23357 -4.55111 TIMING: 936000 CPU: 2917.69, 0.00312381/step Wall: 2917.69, 0.00312381/step, 3.52644 hours remaining, 237.199219 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: 936000 4077.4998 20612.0104 14444.4254 259.4765 -203389.9546 2985.5306 0.0000 0.0000 52034.0841 -108976.9278 299.0406 -161011.0118 -108609.3282 299.7841 81.0606 108.8392 760679.6315 3.7112 3.7105 PRESSURE: 936200 -80.9393 -94.7068 50.2422 -94.7069 -88.8496 148.962 50.2423 148.964 -135.929 GPRESSURE: 936200 12.7116 -27.4195 72.3297 -33.6634 -69.3898 86.73 -18.84 176.63 -162.983 PRESSAVG: 936200 -16.4795 -1.63028 -21.3506 -1.63036 58.9551 43.8138 -21.3506 43.8139 -14.651 GPRESSAVG: 936200 -15.8147 -1.84895 -20.5044 -0.775948 58.904 43.9944 -21.9205 45.1034 -14.9017 TIMING: 936200 CPU: 2918.31, 0.00313227/step Wall: 2918.31, 0.00313227/step, 3.53581 hours remaining, 237.457031 MB of memory in use. ENERGY: 936200 4002.0291 20602.5900 14386.0523 238.9479 -203326.2163 2801.5964 0.0000 0.0000 52402.5881 -108892.4126 301.1584 -161295.0007 -108526.1033 299.5712 -101.9059 -73.2204 763070.8418 9.2749 9.3959 LDB: ============= START OF LOAD BALANCING ============== 2930.79 LDB: ============== END OF LOAD BALANCING =============== 2930.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2930.8 LDB: ============= START OF LOAD BALANCING ============== 2931.11 LDB: Largest compute 7059 load 0.030268 is 15.5% of average load 0.194997 LDB: Average compute 0.004381 is 2.2% of average load 0.194997 LDB: TIME 2931.11 LOAD: AVG 0.194997 MAX 0.214692 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.367 MB LDB: TIME 2931.11 LOAD: AVG 0.194997 MAX 0.214692 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.367 MB LDB: TIME 2931.11 LOAD: AVG 0.194997 MAX 0.214692 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.367 MB LDB: ============== END OF LOAD BALANCING =============== 2931.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2931.12 PRESSURE: 936400 -255.788 222.907 73.2101 222.907 11.6229 -78.0629 73.2107 -78.0624 -66.1927 GPRESSURE: 936400 -180.14 127.397 82.0753 152.42 61.2568 -17.8604 -58.7933 -43.2938 -100.198 PRESSAVG: 936400 25.7584 -38.3663 20.4343 -38.3664 -28.3868 63.0616 20.4343 63.0615 3.70004 GPRESSAVG: 936400 24.9392 -39.1496 19.0851 -39.4294 -27.9146 62.259 21.6328 60.7852 4.2483 TIMING: 936400 CPU: 2918.96, 0.00320208/step Wall: 2918.96, 0.00320208/step, 3.61444 hours remaining, 234.312500 MB of memory in use. ENERGY: 936400 4030.3365 20600.8667 14461.7142 252.1738 -203344.4888 3003.2204 0.0000 0.0000 52108.7065 -108887.4709 299.4695 -160996.1774 -108517.7330 299.6024 -103.4525 -73.0272 765251.3284 0.3572 0.4243 PRESSURE: 936600 -235.757 119.696 -129.207 119.696 -237.79 -96.9057 -129.207 -96.9051 222.495 GPRESSURE: 936600 -215.067 105.404 -60.3509 124.931 -167.415 -76.5314 -206.877 -97.786 208.713 PRESSAVG: 936600 41.6168 -48.8567 -21.3032 -48.8568 -9.34993 18.7538 -21.3032 18.7539 -10.4165 GPRESSAVG: 936600 40.8327 -48.6468 -20.4549 -49.417 -9.53218 19.7547 -22.666 20.3654 -9.59429 TIMING: 936600 CPU: 2919.58, 0.00313149/step Wall: 2919.58, 0.00313149/step, 3.53458 hours remaining, 234.312500 MB of memory in use. ENERGY: 936600 4004.7439 20547.8071 14407.4963 245.0918 -203167.8317 2849.8758 0.0000 0.0000 52209.3104 -108903.5064 300.0476 -161112.8168 -108539.1638 299.8097 -83.6842 -57.9230 763912.2501 7.2835 7.2354 PRESSURE: 936800 23.0391 101.022 181.267 101.022 -317.111 24.3838 181.266 24.3841 46.1526 GPRESSURE: 936800 38.9203 31.1617 151.802 43.1387 -199.731 41.2225 111.434 12.5751 -15.4168 PRESSAVG: 936800 29.7191 6.0029 51.6573 6.00289 2.39814 -8.0309 51.6573 -8.03087 8.69525 GPRESSAVG: 936800 30.287 6.25369 49.9939 6.52581 1.42114 -7.52863 51.5692 -9.44177 8.85001 TIMING: 936800 CPU: 2920.21, 0.00312864/step Wall: 2920.21, 0.00312864/step, 3.53119 hours remaining, 234.312500 MB of memory in use. ENERGY: 936800 4050.5445 20501.5659 14433.8532 237.7741 -203406.8166 2969.5880 0.0000 0.0000 52224.0046 -108989.4864 300.1321 -161213.4910 -108628.7942 299.2788 -82.6396 -58.7426 762176.2961 13.6042 13.5194 PRESSURE: 937000 116.736 -90.9667 -7.09859 -90.9668 -71.0142 -112.403 -7.09875 -112.404 308.565 GPRESSURE: 937000 88.1342 -19.7289 -7.86386 -17.7148 21.1618 -205.974 -38.7695 -40.4925 305.481 PRESSAVG: 937000 -24.122 -6.1777 -27.7995 -6.1777 24.8824 -77.7629 -27.7996 -77.763 -20.6169 GPRESSAVG: 937000 -24.2713 -5.02725 -26.102 -5.51739 25.7614 -79.0993 -27.5315 -77.4006 -21.071 TIMING: 937000 CPU: 2920.84, 0.00314253/step Wall: 2920.84, 0.00314253/step, 3.5467 hours remaining, 234.312500 MB of memory in use. ENERGY: 937000 3965.5086 20498.7461 14537.1266 255.1885 -203343.0797 2727.9941 0.0000 0.0000 52085.1226 -109273.3932 299.3339 -161358.5158 -108909.8689 299.2277 118.0958 138.2590 763809.2722 -6.6188 -6.5270 PRESSURE: 937200 -413.065 134.276 -107.442 134.277 76.2347 -148.748 -107.441 -148.748 -298.482 GPRESSURE: 937200 -314.21 90.8765 -248.089 203.146 72.2653 -106.352 96.4303 -181.335 -318.674 PRESSAVG: 937200 -1.88288 32.9151 -42.8024 32.9151 -11.7643 -24.62 -42.8023 -24.62 37.0147 GPRESSAVG: 937200 -0.744112 32.6484 -43.2403 33.5943 -12.2751 -23.5286 -42.528 -23.48 36.283 TIMING: 937200 CPU: 2921.46, 0.0031162/step Wall: 2921.46, 0.0031162/step, 3.51681 hours remaining, 234.312500 MB of memory in use. ENERGY: 937200 3962.2461 20612.3271 14469.2497 235.5516 -203134.4147 2847.1940 0.0000 0.0000 51794.2020 -109213.6442 297.6620 -161007.8462 -108857.3414 298.3600 -211.7710 -186.8727 763487.5646 7.7892 7.7546 PRESSURE: 937400 115.46 -74.8576 -163.68 -74.858 7.11386 -152.046 -163.68 -152.046 140.775 GPRESSURE: 937400 104.935 -96.7417 -140.345 -113.985 111.516 -196.997 -98.138 -145.213 159.991 PRESSAVG: 937400 -9.65785 39.2182 -28.2953 39.2183 -2.04347 -17.1506 -28.2952 -17.1506 -35.3643 GPRESSAVG: 937400 -11.4911 37.8511 -28.6603 39.0608 -1.11917 -17.1609 -27.7876 -20.5249 -34.0956 TIMING: 937400 CPU: 2922.09, 0.00314547/step Wall: 2922.09, 0.00314547/step, 3.54966 hours remaining, 234.312500 MB of memory in use. ENERGY: 937400 3980.9361 20457.7926 14480.6932 243.5213 -203100.5147 2863.4460 0.0000 0.0000 51909.6944 -109164.4313 298.3257 -161074.1257 -108799.3958 298.5922 87.7832 125.4806 762127.3183 -15.6886 -15.5687 PRESSURE: 937600 169.473 138.202 -38.0843 138.202 -27.3651 -90.1544 -38.0842 -90.1543 101.871 GPRESSURE: 937600 209.18 88.4657 0.317977 129.323 -0.0181108 -121.215 -31.4407 34.2043 122.5 PRESSAVG: 937600 -3.19498 6.45794 27.687 6.45788 42.6094 -20.2948 27.687 -20.2949 -11.9582 GPRESSAVG: 937600 -2.23346 6.71117 28.5658 5.15456 41.2863 -20.655 27.6415 -17.5939 -12.1207 TIMING: 937600 CPU: 2922.72, 0.00314407/step Wall: 2922.72, 0.00314407/step, 3.54791 hours remaining, 234.312500 MB of memory in use. ENERGY: 937600 3954.6413 20423.1269 14413.8264 238.5663 -202995.0096 2750.0688 0.0000 0.0000 52069.4992 -109145.2806 299.2441 -161214.7798 -108777.4139 299.1613 81.3262 110.5539 762584.2598 9.1521 8.9774 PRESSURE: 937800 -459.105 27.5059 146.616 27.5058 -158.838 -217.396 146.616 -217.396 154.231 GPRESSURE: 937800 -444.325 20.7092 203.705 19.5287 -38.2496 -188.638 305.945 -254.599 90.1043 PRESSAVG: 937800 12.498 -4.9292 5.01045 -4.92918 -9.38251 9.37013 5.01053 9.37016 20.0609 GPRESSAVG: 937800 12.6711 -5.35266 5.92023 -3.97399 -8.7817 9.13436 4.39049 8.35969 18.9474 TIMING: 937800 CPU: 2923.34, 0.00311842/step Wall: 2923.34, 0.00311842/step, 3.5188 hours remaining, 234.312500 MB of memory in use. ENERGY: 937800 3926.4462 20379.0819 14456.0084 232.0543 -203012.7996 2714.2723 0.0000 0.0000 52157.4623 -109147.4741 299.7497 -161304.9365 -108773.6373 298.3709 -154.5706 -130.8235 765001.4756 7.7255 7.6122 PRESSURE: 938000 -61.7536 109.934 129.908 109.933 -42.0738 33.7351 129.908 33.7345 3.17474 GPRESSURE: 938000 -79.0793 297.103 22.767 -21.351 11.3709 3.28291 142.91 99.7783 48.0657 PRESSAVG: 938000 -7.73632 -8.7013 -3.2897 -8.70129 -22.6935 -34.5511 -3.28971 -34.551 29.8671 GPRESSAVG: 938000 -6.19679 -8.63496 -5.94237 -8.65284 -23.0875 -34.7 -3.42195 -34.7973 28.7309 TIMING: 938000 CPU: 2923.97, 0.0031359/step Wall: 2923.97, 0.0031359/step, 3.53834 hours remaining, 234.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 938000 4011.0693 20412.5029 14450.4714 230.6452 -203066.0417 2987.3774 0.0000 0.0000 51979.6597 -108994.3159 298.7278 -160973.9756 -108640.6147 298.8960 -33.5509 -6.5476 763329.6747 -0.1876 -0.1845 PRESSURE: 938200 305.801 -15.1589 -56.8186 -15.1584 441.015 52.5213 -56.8194 52.5214 351.957 GPRESSURE: 938200 324.705 -113.625 -6.46902 80.975 423.089 -17.1587 2.83129 56.4971 441.23 PRESSAVG: 938200 1.68633 40.2481 -61.5888 40.2481 20.9183 -1.39235 -61.5888 -1.39242 14.0084 GPRESSAVG: 938200 1.15579 41.7138 -62.0323 40.5864 20.0946 -1.45021 -60.7583 -1.76629 15.3085 TIMING: 938200 CPU: 2924.59, 0.00311813/step Wall: 2924.59, 0.00311813/step, 3.51812 hours remaining, 234.312500 MB of memory in use. ENERGY: 938200 3935.6855 20568.9086 14452.4033 237.4157 -203287.7179 3131.1641 0.0000 0.0000 51963.4880 -108998.6525 298.6349 -160962.1405 -108651.5299 298.9820 366.2575 396.3414 761895.4849 12.2043 12.1863 PRESSURE: 938400 138.441 10.6528 15.8426 10.6533 216.162 129.392 15.842 129.393 -175.891 GPRESSURE: 938400 123.724 -124.193 51.7023 107.521 217.568 97.6095 39.2139 133.923 -71.7037 PRESSAVG: 938400 3.63361 -9.15572 41.9406 -9.15571 -9.87093 -5.69007 41.9406 -5.69015 20.9709 GPRESSAVG: 938400 2.45868 -7.95765 45.67 -9.27658 -8.96877 -5.46554 37.4408 -3.79658 20.7993 TIMING: 938400 CPU: 2925.22, 0.00313635/step Wall: 2925.22, 0.00313635/step, 3.5385 hours remaining, 234.312500 MB of memory in use. ENERGY: 938400 3961.3662 20377.0595 14495.4488 268.0509 -203172.7527 2791.2067 0.0000 0.0000 52090.0177 -109189.6029 299.3620 -161279.6207 -108837.1869 298.6107 59.5707 89.8627 762045.5914 4.9112 4.7631 PRESSURE: 938600 269.953 68.2104 -129.847 68.2106 135.693 176.191 -129.846 176.19 -5.42866 GPRESSURE: 938600 262.544 86.8993 -122.99 -4.38319 198.764 181.38 -60.2072 189.152 23.093 PRESSAVG: 938600 1.75251 -8.83953 29.4087 -8.83952 20.7278 28.0879 29.4087 28.0878 0.0206404 GPRESSAVG: 938600 2.12413 -10.0939 26.8667 -7.36369 20.3925 28.1457 32.0211 27.4406 0.410003 TIMING: 938600 CPU: 2925.85, 0.00313628/step Wall: 2925.85, 0.00313628/step, 3.53824 hours remaining, 234.312500 MB of memory in use. ENERGY: 938600 3923.9979 20409.1243 14464.8333 258.5210 -203201.3944 2980.1020 0.0000 0.0000 52023.6565 -109141.1594 298.9807 -161164.8159 -108780.0330 298.8075 133.4058 161.4671 763825.1247 7.5003 7.6422 PRESSURE: 938800 -44.6968 19.6809 46.8337 19.6811 145.601 124.596 46.8332 124.595 371.242 GPRESSURE: 938800 35.1031 52.9153 39.012 -3.18817 146.663 151.741 -52.8159 49.7785 365.527 PRESSAVG: 938800 -5.22199 -10.5997 -4.81462 -10.5997 77.585 43.2147 -4.81469 43.2145 28.1157 GPRESSAVG: 938800 -5.79367 -10.7001 -4.12306 -12.7372 78.2425 42.9123 -4.35795 44.5508 28.323 TIMING: 938800 CPU: 2926.47, 0.00312745/step Wall: 2926.47, 0.00312745/step, 3.52811 hours remaining, 234.312500 MB of memory in use. ENERGY: 938800 3992.3292 20455.8050 14472.0820 222.1978 -203278.7216 2827.0314 0.0000 0.0000 52072.6191 -109236.6570 299.2621 -161309.2761 -108875.8923 299.0796 157.3821 182.4310 762395.2555 33.4929 33.5906 PRESSURE: 939000 234.483 19.114 -52.199 19.1141 37.0557 -171.949 -52.1996 -171.949 78.0125 GPRESSURE: 939000 242.126 155.601 -41.9183 28.2292 185.367 -219.585 -19.7044 -198.781 4.22346 PRESSAVG: 939000 -18.4665 29.4035 68.7648 29.4035 43.4257 12.2219 68.7648 12.2219 6.72599 GPRESSAVG: 939000 -17.321 31.1418 69.6348 27.1738 42.7605 11.9883 70.6052 8.37081 6.43091 TIMING: 939000 CPU: 2927.1, 0.00311783/step Wall: 2927.1, 0.00311783/step, 3.51708 hours remaining, 234.312500 MB of memory in use. ENERGY: 939000 3945.7503 20505.7157 14462.2241 239.6158 -203502.3169 3023.6739 0.0000 0.0000 52058.5919 -109266.7452 299.1814 -161325.3371 -108910.9746 299.0458 116.5171 143.9053 762576.8800 10.5617 10.6235 PRESSURE: 939200 172.854 23.7095 155.162 23.7091 -313.083 -34.586 155.163 -34.5869 -235.327 GPRESSURE: 939200 73.7855 109.515 223.774 -2.98037 -169.532 100.688 34.1415 -46.5732 -178.442 PRESSAVG: 939200 24.0764 -14.766 14.3091 -14.766 -38.4144 1.94078 14.3092 1.94068 -3.19215 GPRESSAVG: 939200 22.1743 -15.4016 13.1383 -11.0117 -37.033 2.15768 13.4532 1.45514 -2.85709 TIMING: 939200 CPU: 2927.72, 0.00313197/step Wall: 2927.72, 0.00313197/step, 3.53287 hours remaining, 234.312500 MB of memory in use. ENERGY: 939200 3939.5995 20290.0643 14404.1550 253.9083 -203279.4472 2847.5879 0.0000 0.0000 52230.0955 -109314.0366 300.1671 -161544.1321 -108945.5404 298.4715 -125.1854 -91.3961 764680.3392 -5.8434 -5.9053 PRESSURE: 939400 -153.301 26.2706 242.93 26.2707 109.326 -17.977 242.929 -17.9767 121.35 GPRESSURE: 939400 -19.3806 -91.0416 292.569 -88.5232 30.6861 14.2033 280.987 -101.168 154.271 PRESSAVG: 939400 60.9507 -1.03699 -38.0246 -1.03697 -47.592 -32.5206 -38.0245 -32.5206 3.85426 GPRESSAVG: 939400 61.6029 -2.46908 -38.0757 -2.70079 -47.6333 -32.0335 -38.8586 -29.8725 3.25671 TIMING: 939400 CPU: 2928.35, 0.00313846/step Wall: 2928.35, 0.00313846/step, 3.54001 hours remaining, 234.312500 MB of memory in use. ENERGY: 939400 4005.1970 20316.3396 14439.9891 236.5967 -203232.7506 2897.8599 0.0000 0.0000 52040.7040 -109296.0643 299.0786 -161336.7683 -108938.4755 298.9794 25.7916 55.1920 762762.9634 5.7377 5.7421 PRESSURE: 939600 -75.7666 39.8573 39.2542 39.8571 -316.417 -58.7007 39.2545 -58.7013 -518.272 GPRESSURE: 939600 -46.8505 84.9522 -61.3135 -47.2589 -273.968 -99.8277 37.2596 -19.539 -518.666 PRESSAVG: 939600 10.8748 -30.0271 51.0972 -30.027 -4.09538 10.9721 51.0973 10.9722 19.5633 GPRESSAVG: 939600 11.2672 -30.5023 50.504 -28.7327 -4.66883 10.1798 52.0728 10.8248 19.6613 TIMING: 939600 CPU: 2928.98, 0.0031409/step Wall: 2928.98, 0.0031409/step, 3.54259 hours remaining, 234.312500 MB of memory in use. ENERGY: 939600 3994.4196 20549.4498 14439.1804 236.8646 -202488.7666 2173.1632 0.0000 0.0000 51878.0739 -109217.6150 298.1440 -161095.6889 -108845.1854 298.9877 -303.4851 -279.8282 763637.3059 8.7809 8.7532 PRESSURE: 939800 50.1473 -363.229 -9.86217 -363.228 -51.7189 -78.6939 -9.86187 -78.6937 -135.438 GPRESSURE: 939800 112.013 -371.024 -11.3358 -288.089 -84.6153 -129.473 -38.0061 -168.192 -74.188 PRESSAVG: 939800 10.5536 6.48817 11.4243 6.48821 -17.1648 1.1342 11.4243 1.13426 -7.48129 GPRESSAVG: 939800 9.33687 7.08941 12.2451 8.13766 -17.2347 0.636885 11.2735 1.06867 -5.49889 TIMING: 939800 CPU: 2929.6, 0.00311323/step Wall: 2929.6, 0.00311323/step, 3.51121 hours remaining, 234.312500 MB of memory in use. ENERGY: 939800 3994.9946 20439.1120 14411.5838 266.5487 -203342.0430 2817.7476 0.0000 0.0000 52087.5088 -109324.5477 299.3476 -161412.0565 -108961.9759 298.4251 -45.6698 -15.5968 762014.4585 -4.6975 -4.4656 PRESSURE: 940000 -71.6249 1.74576 58.8024 1.7452 20.3504 -159.706 58.8027 -159.706 153.092 GPRESSURE: 940000 8.78586 35.3033 99.9134 -15.4147 6.9461 -133.826 65.1087 -165.673 157.311 PRESSAVG: 940000 35.2929 -22.0169 -7.95159 -22.0169 -11.0535 -35.1198 -7.95156 -35.1198 12.8704 GPRESSAVG: 940000 36.716 -21.7364 -7.34474 -21.7465 -11.6379 -35.5007 -9.72508 -33.1415 11.3764 TIMING: 940000 CPU: 2930.22, 0.00311675/step Wall: 2930.22, 0.00311675/step, 3.515 hours remaining, 234.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 940000 3994.3522 20608.8858 14317.7400 244.4670 -203362.8939 2736.2530 0.0000 0.0000 52239.1721 -109222.0237 300.2192 -161461.1958 -108868.4499 299.0551 33.9393 57.6811 760681.4625 12.3700 12.1515 PRESSURE: 940200 183.002 -4.35321 -250.689 -4.35214 114.478 -207.915 -250.689 -207.914 46.4724 GPRESSURE: 940200 287.439 5.20399 -312.413 -39.4493 77.0438 -184.595 -196.4 -146.636 56.3428 PRESSAVG: 940200 26.4193 -4.0901 7.67945 -4.0901 11.8177 8.74988 7.67939 8.74984 -15.2451 GPRESSAVG: 940200 26.4729 -4.5376 6.46845 -5.06381 12.1972 10.875 8.7469 8.56449 -16.1435 TIMING: 940200 CPU: 2930.85, 0.00314595/step Wall: 2930.85, 0.00314595/step, 3.54775 hours remaining, 234.312500 MB of memory in use. ENERGY: 940200 3947.8881 20451.0441 14429.6839 268.6624 -203035.5596 2777.3371 0.0000 0.0000 51922.0145 -109238.9295 298.3965 -161160.9440 -108872.8949 299.3409 114.6506 140.2753 762207.9081 7.6640 7.5088 LDB: ============= START OF LOAD BALANCING ============== 2943.33 LDB: ============== END OF LOAD BALANCING =============== 2943.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2943.33 LDB: ============= START OF LOAD BALANCING ============== 2943.65 LDB: Largest compute 7059 load 0.032156 is 16.5% of average load 0.194974 LDB: Average compute 0.004412 is 2.3% of average load 0.194974 LDB: TIME 2943.65 LOAD: AVG 0.194974 MAX 0.216264 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.957 MB LDB: TIME 2943.65 LOAD: AVG 0.194974 MAX 0.216264 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.996 MB LDB: TIME 2943.65 LOAD: AVG 0.194974 MAX 0.216264 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.996 MB LDB: ============== END OF LOAD BALANCING =============== 2943.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2943.66 PRESSURE: 940400 -342.518 174.109 -268.397 174.11 172.344 100.276 -268.398 100.276 -100.878 GPRESSURE: 940400 -262.772 174.114 -295.186 136.677 205.189 116.956 -168.358 74.5898 -129.478 PRESSAVG: 940400 -19.0432 -17.799 8.5434 -17.799 -27.5422 -47.5385 8.54338 -47.5385 8.90592 GPRESSAVG: 940400 -18.5969 -16.3603 7.65894 -20.5588 -28.5761 -46.925 9.57596 -50.3431 9.4153 TIMING: 940400 CPU: 2931.49, 0.00319847/step Wall: 2931.49, 0.00319847/step, 3.60681 hours remaining, 234.187500 MB of memory in use. ENERGY: 940400 3979.8808 20524.3780 14483.7123 261.5899 -203402.1200 2933.4894 0.0000 0.0000 51879.8420 -109339.2277 298.1542 -161219.0696 -108987.1085 298.4054 -90.3507 -62.3539 762551.9770 -12.5598 -12.5859 PRESSURE: 940600 220.419 -284.622 119.379 -284.622 -203.353 66.5099 119.379 66.5092 -131.88 GPRESSURE: 940600 109.832 -322.242 115.844 -335.725 -99.6976 37.9881 82.8639 155.914 -27.3048 PRESSAVG: 940600 73.4254 1.58077 -36.3389 1.58076 -0.886879 -57.0305 -36.3388 -57.0306 -3.49062 GPRESSAVG: 940600 72.5095 1.394 -34.7169 2.83466 -0.069748 -60.6682 -38.4813 -55.0178 -3.38562 TIMING: 940600 CPU: 2932.12, 0.00311666/step Wall: 2932.12, 0.00311666/step, 3.51438 hours remaining, 234.390625 MB of memory in use. ENERGY: 940600 4045.7588 20418.6151 14404.1427 239.9561 -203538.7182 2867.6818 0.0000 0.0000 52109.4326 -109453.1312 299.4736 -161562.5638 -109072.0430 298.6128 -38.2716 -5.7234 764148.7928 23.0160 23.0180 PRESSURE: 940800 9.49708 192.466 -188.624 192.466 384.394 20.042 -188.623 20.0426 344.999 GPRESSURE: 940800 106.471 174.601 -226.304 85.598 394.997 5.30688 -212.752 -59.0906 326.554 PRESSAVG: 940800 33.465 -28.7693 5.17523 -28.7693 19.7282 12.7398 5.17516 12.7399 -14.3527 GPRESSAVG: 940800 34.5081 -28.4982 5.28383 -29.54 18.1075 14.4862 6.99049 12.5731 -13.7243 TIMING: 940800 CPU: 2932.74, 0.00313333/step Wall: 2932.74, 0.00313333/step, 3.533 hours remaining, 234.390625 MB of memory in use. ENERGY: 940800 3954.4527 20588.1956 14413.7692 237.5563 -203713.5108 3056.4135 0.0000 0.0000 51865.7840 -109597.3396 298.0734 -161463.1235 -109231.4377 298.2926 246.2967 276.0074 761687.1953 12.9469 12.9637 PRESSURE: 941000 -158.808 -74.2533 91.656 -74.254 -185.736 295.976 91.6556 295.975 -20.443 GPRESSURE: 941000 -96.3767 -76.1107 55.7397 -158.75 -110.695 286.096 26.7735 174.59 -59.9709 PRESSAVG: 941000 -11.6603 -29.1525 -29.4457 -29.1525 21.2257 -31.3397 -29.4457 -31.3397 -7.34685 GPRESSAVG: 941000 -12.8595 -30.2742 -29.8321 -26.7166 23.0003 -29.9625 -32.8091 -32.5028 -7.68909 TIMING: 941000 CPU: 2933.37, 0.00312601/step Wall: 2933.37, 0.00312601/step, 3.52458 hours remaining, 234.390625 MB of memory in use. ENERGY: 941000 4007.6716 20356.4301 14469.0891 267.3192 -203716.3459 2898.5883 0.0000 0.0000 52148.0415 -109569.2062 299.6955 -161717.2477 -109207.9078 298.3429 -121.6623 -89.0142 762590.9211 0.7395 0.8172 PRESSURE: 941200 -91.8152 33.8461 38.5382 33.8462 -347.285 -18.7603 38.5382 -18.7602 62.6229 GPRESSURE: 941200 -200.265 -88.5955 33.8101 48.1055 -208.959 -28.5149 74.1488 -8.37189 116.246 PRESSAVG: 941200 -22.667 -5.33437 -29.9769 -5.33442 -4.01749 -8.33741 -29.9769 -8.3374 1.28924 GPRESSAVG: 941200 -23.6984 -6.021 -29.5067 -5.93129 -3.75291 -10.5736 -26.7464 -9.88556 2.0709 TIMING: 941200 CPU: 2934, 0.0031388/step Wall: 2934, 0.0031388/step, 3.53882 hours remaining, 234.390625 MB of memory in use. ENERGY: 941200 4060.8737 20516.9928 14377.7217 244.8033 -203894.5048 3254.3258 0.0000 0.0000 51835.0834 -109604.7042 297.8969 -161439.7875 -109242.4583 297.8999 -125.4925 -97.6595 764120.0539 -8.4651 -8.4601 PRESSURE: 941400 113.989 126.828 46.2802 126.828 122.76 -128.526 46.2805 -128.526 241.411 GPRESSURE: 941400 150.077 40.6836 -27.1619 42.9651 142.989 -83.8846 -113.645 -8.18331 255.04 PRESSAVG: 941400 -8.41702 -33.6095 -42.4421 -33.6095 -13.2707 -54.5213 -42.4421 -54.5213 1.32305 GPRESSAVG: 941400 -7.24648 -31.0888 -43.5372 -36.4788 -13.5284 -53.987 -43.053 -51.7529 0.572753 TIMING: 941400 CPU: 2934.63, 0.00315109/step Wall: 2934.63, 0.00315109/step, 3.55251 hours remaining, 234.390625 MB of memory in use. ENERGY: 941400 4028.7790 20571.1758 14423.9862 236.8006 -203289.2182 2646.6239 0.0000 0.0000 51869.0769 -109512.7757 298.0923 -161381.8526 -109140.2827 298.2719 159.3867 182.7020 761357.6587 -6.7882 -6.7340 PRESSURE: 941600 -218.55 163.667 -183.707 163.668 60.8856 -87.5843 -183.707 -87.5839 -399.07 GPRESSURE: 941600 -146.41 241.189 -237.01 178.134 20.0654 -104.875 -67.019 -53.1917 -349.187 PRESSAVG: 941600 -4.25184 -13.6558 -1.48122 -13.6558 -60.2084 -14.4199 -1.48121 -14.4199 0.723464 GPRESSAVG: 941600 -3.19589 -15.2251 -1.40511 -13.3328 -61.3241 -13.2794 -2.18794 -16.3223 0.768559 TIMING: 941600 CPU: 2935.25, 0.00311923/step Wall: 2935.25, 0.00311923/step, 3.51641 hours remaining, 234.390625 MB of memory in use. ENERGY: 941600 4037.3228 20423.6257 14445.0891 244.9934 -203640.9592 3188.0555 0.0000 0.0000 51802.6649 -109499.2077 297.7106 -161301.8726 -109141.4848 298.1205 -185.5780 -158.5107 763466.4482 -21.2456 -21.2505 PRESSURE: 941800 48.956 -86.7288 44.3807 -86.7284 77.8603 234.986 44.3814 234.986 -327.236 GPRESSURE: 941800 57.2913 -246.12 79.9444 -124.476 123.248 187.575 116.076 233.035 -294.27 PRESSAVG: 941800 -15.8343 17.4212 30.3812 17.4213 1.55013 5.54749 30.3812 5.54752 3.00013 GPRESSAVG: 941800 -17.0839 18.5634 31.6713 19.1925 2.53086 5.57525 29.6313 7.43185 3.52845 TIMING: 941800 CPU: 2935.87, 0.00310138/step Wall: 2935.87, 0.00310138/step, 3.49612 hours remaining, 234.390625 MB of memory in use. ENERGY: 941800 4021.8630 20406.7288 14440.7628 236.1433 -203615.5916 3208.6664 0.0000 0.0000 51749.8155 -109551.6117 297.4069 -161301.4272 -109182.3336 297.8641 -66.8065 -37.9104 764194.2926 -3.7613 -3.6749 PRESSURE: 942000 -337.778 -96.2907 281.777 -96.2919 -376.854 -306.981 281.777 -306.98 73.2198 GPRESSURE: 942000 -295.943 -123.299 298.641 -68.3349 -379.44 -353.411 260.991 -279.401 103.846 PRESSAVG: 942000 9.45772 -41.8279 -3.8155 -41.8279 -1.02196 -33.4188 -3.81544 -33.4188 -8.08316 GPRESSAVG: 942000 9.46021 -43.1381 -5.46832 -43.0469 -0.932293 -35.3274 -2.03707 -35.1908 -8.20519 TIMING: 942000 CPU: 2936.49, 0.00310937/step Wall: 2936.49, 0.00310937/step, 3.50495 hours remaining, 234.390625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 942000 4087.9622 20499.0543 14427.6386 241.0623 -203152.3097 2724.5376 0.0000 0.0000 51677.9139 -109494.1407 296.9937 -161172.0546 -109133.9005 297.9245 -213.8042 -190.5120 762218.8381 0.1175 0.1076 PRESSURE: 942200 176.443 120.247 96.7539 120.246 -99.5789 160.321 96.7537 160.322 66.4106 GPRESSURE: 942200 156.661 211.613 44.5035 -56.6832 -77.3672 127.736 139.517 195.749 139.633 PRESSAVG: 942200 -13.3046 49.6206 -2.8007 49.6205 8.67858 -16.0592 -2.80065 -16.0592 7.59263 GPRESSAVG: 942200 -12.7062 50.1825 -4.1634 48.6707 7.64718 -13.7027 -3.60997 -14.2348 8.31762 TIMING: 942200 CPU: 2937.12, 0.00312496/step Wall: 2937.12, 0.00312496/step, 3.52235 hours remaining, 234.390625 MB of memory in use. ENERGY: 942200 4005.8797 20486.4563 14374.8176 227.0379 -203441.8190 2947.8777 0.0000 0.0000 51766.7900 -109632.9598 297.5045 -161399.7498 -109276.2402 298.1360 47.7583 72.9757 763684.8673 0.9889 1.0862 PRESSURE: 942400 172.68 234.274 -205.64 234.274 -166.342 86.5099 -205.638 86.5108 -170.358 GPRESSURE: 942400 157.379 134.536 -142.616 278.013 -188.893 115.895 -179.573 -22.597 -49.5197 PRESSAVG: 942400 -28.5683 -1.07294 -41.8055 -1.07298 48.3903 25.6897 -41.8055 25.6896 4.57545 GPRESSAVG: 942400 -28.6822 -1.68974 -39.5595 1.20866 49.5927 25.4037 -40.6935 23.1437 3.87022 TIMING: 942400 CPU: 2937.74, 0.00312845/step Wall: 2937.74, 0.00312845/step, 3.52611 hours remaining, 234.390625 MB of memory in use. ENERGY: 942400 3934.2084 20448.5046 14390.5388 244.5325 -203477.3334 2903.2288 0.0000 0.0000 51988.0196 -109568.3006 298.7759 -161556.3202 -109202.6697 297.7219 -54.6731 -27.0113 764242.3941 8.1325 8.2603 PRESSURE: 942600 -379.122 90.3656 -116.275 90.3655 120.296 -56.0469 -116.276 -56.0462 68.6202 GPRESSURE: 942600 -247.544 -14.6581 -131.319 76.2059 87.0189 -6.24803 -26.4988 21.1403 26.0144 PRESSAVG: 942600 22.9383 -12.8724 7.75612 -12.8724 -29.2617 -75.2949 7.75614 -75.2949 -3.37024 GPRESSAVG: 942600 22.92 -13.9043 7.15646 -13.7383 -29.9741 -75.2307 6.30003 -73.4754 -2.99766 TIMING: 942600 CPU: 2938.37, 0.00313815/step Wall: 2938.37, 0.00313815/step, 3.53687 hours remaining, 234.390625 MB of memory in use. ENERGY: 942600 4086.4658 20537.3935 14337.9119 257.9859 -203232.9737 2848.6160 0.0000 0.0000 51634.4661 -109530.1347 296.7440 -161164.6007 -109163.1035 297.7133 -63.4019 -44.8369 763566.0941 -3.2312 -3.3506 PRESSURE: 942800 -2.0924 -67.6732 50.1745 -67.6727 2.17982 -179.39 50.175 -179.39 204.87 GPRESSURE: 942800 3.12306 -22.4681 76.2381 -150.502 109.136 -168.33 51.4764 -170.849 170.374 PRESSAVG: 942800 -17.3898 -56.6583 28.0155 -56.6583 -4.5031 -56.4356 28.0155 -56.4356 -1.31001 GPRESSAVG: 942800 -17.4204 -56.1552 27.9754 -56.5082 -4.70373 -58.076 29.6638 -56.5221 -1.32472 TIMING: 942800 CPU: 2938.99, 0.00311826/step Wall: 2938.99, 0.00311826/step, 3.51428 hours remaining, 234.390625 MB of memory in use. ENERGY: 942800 3921.3242 20449.8334 14428.1051 251.1656 -203489.3679 3018.2096 0.0000 0.0000 51881.2450 -109539.4850 298.1622 -161420.7300 -109172.5191 297.9047 68.3190 94.2110 763778.7363 -7.7343 -7.8163 PRESSURE: 943000 247.239 -8.38811 -14.0413 -8.38864 -182.076 44.4945 -14.0421 44.4942 111.402 GPRESSURE: 943000 193.915 10.452 9.45904 -29.8735 -76.0706 60.84 59.3874 73.5195 125.38 PRESSAVG: 943000 39.5929 -30.2722 29.7494 -30.2722 -28.6794 36.2011 29.7494 36.2011 13.5646 GPRESSAVG: 943000 38.7776 -29.1672 31.5665 -30.0084 -28.1633 37.3304 27.4673 36.5459 13.4184 TIMING: 943000 CPU: 2939.62, 0.00311661/step Wall: 2939.62, 0.00311661/step, 3.51224 hours remaining, 234.390625 MB of memory in use. ENERGY: 943000 3957.8393 20465.6868 14379.5174 247.7197 -203241.1545 2814.6481 0.0000 0.0000 51931.1403 -109444.6028 298.4490 -161375.7432 -109081.5858 297.8130 58.8550 81.0747 764034.6275 8.1594 8.0109 PRESSURE: 943200 -111.001 -149.476 1.97274 -149.476 -198.294 -54.3851 1.97336 -54.3848 305.977 GPRESSURE: 943200 -49.2564 -111.765 113.583 -37.7453 -203.272 -140.507 12.9352 -84.2691 339.947 PRESSAVG: 943200 -39.3471 -30.8901 27.042 -30.8902 53.4071 -22.0414 27.042 -22.0414 1.57131 GPRESSAVG: 943200 -38.1781 -32.5288 24.8571 -30.2062 51.2736 -22.1951 28.0871 -23.317 2.17831 TIMING: 943200 CPU: 2940.24, 0.00312105/step Wall: 2940.24, 0.00312105/step, 3.51707 hours remaining, 234.390625 MB of memory in use. ENERGY: 943200 4046.7213 20577.4557 14386.9994 249.1038 -203170.0586 3052.5439 0.0000 0.0000 51750.4919 -109106.7427 297.4108 -160857.2346 -108755.5955 298.1677 -1.1062 29.1396 762353.3053 5.2105 5.0913 PRESSURE: 943400 20.1474 -55.8037 13.8066 -55.804 -279.194 63.0551 13.8068 63.0542 133.83 GPRESSURE: 943400 88.3912 -11.534 85.1317 -34.4282 -211.593 66.6006 42.652 164.277 78.1702 PRESSAVG: 943400 -30.1891 -42.8925 -21.4287 -42.8924 24.3391 15.2682 -21.4287 15.2683 -3.37281 GPRESSAVG: 943400 -31.0157 -42.7967 -19.605 -44.2511 26.4657 15.6944 -23.9034 17.5999 -4.75451 TIMING: 943400 CPU: 2940.87, 0.00312154/step Wall: 2940.87, 0.00312154/step, 3.51745 hours remaining, 234.390625 MB of memory in use. ENERGY: 943400 4002.5535 20631.7428 14415.5018 240.3634 -203242.5490 2766.2606 0.0000 0.0000 51834.9474 -109351.1794 297.8962 -161186.1268 -108984.9730 298.5865 -41.7389 -15.0106 764631.1038 -3.0743 -3.1015 PRESSURE: 943600 235.439 -34.4141 -124.36 -34.414 35.5733 68.5143 -124.359 68.5144 130.458 GPRESSURE: 943600 183.567 -13.5081 -56.8478 24.028 150.113 97.8822 -138.268 133.086 129.184 PRESSAVG: 943600 -67.4184 -66.8412 -5.33272 -66.8412 35.4175 8.36407 -5.33269 8.36411 -19.4092 GPRESSAVG: 943600 -67.7357 -64.8364 -7.21332 -66.8862 35.1569 8.9069 -2.3492 8.07378 -18.7224 TIMING: 943600 CPU: 2941.49, 0.00314031/step Wall: 2941.49, 0.00314031/step, 3.53843 hours remaining, 234.390625 MB of memory in use. ENERGY: 943600 3954.6194 20569.0309 14425.1220 250.5609 -203815.2745 3159.5987 0.0000 0.0000 52270.6287 -109185.7140 300.4000 -161456.3427 -108821.5916 298.9696 133.8233 154.2876 762025.3030 -17.1367 -17.1004 PRESSURE: 943800 -307.975 36.6263 -11.5854 36.6265 -87.494 92.5304 -11.5852 92.5305 50.096 GPRESSURE: 943800 -217.053 26.7098 -36.2527 73.5008 -86.1074 152.633 -91.8084 -22.4887 38.66 PRESSAVG: 943800 24.1616 -46.8139 -32.3981 -46.8139 -5.25847 21.3392 -32.3981 21.3392 -18.6121 GPRESSAVG: 943800 24.2659 -46.923 -31.5853 -46.5549 -6.13272 21.9201 -32.855 18.4394 -18.143 TIMING: 943800 CPU: 2942.12, 0.00314102/step Wall: 2942.12, 0.00314102/step, 3.53905 hours remaining, 234.390625 MB of memory in use. ENERGY: 943800 4087.3326 20446.3572 14435.3460 238.9500 -203486.4738 3034.8636 0.0000 0.0000 52053.8683 -109189.7561 299.1543 -161243.6244 -108824.2010 298.9710 -115.1245 -88.1668 763243.9034 0.0970 -0.0033 PRESSURE: 944000 -303.575 -45.5499 3.44024 -45.5492 92.4619 -52.3409 3.44059 -52.3413 142.421 GPRESSURE: 944000 -149.522 -66.2036 39.6708 -4.44122 55.8362 -101.136 163.221 -102.174 112.385 PRESSAVG: 944000 -34.8564 -20.8245 11.7016 -20.8245 69.3087 36.2608 11.7015 36.2607 -5.56146 GPRESSAVG: 944000 -33.7257 -22.0708 13.9523 -20.5233 69.125 35.1772 10.2168 38.0209 -6.38487 TIMING: 944000 CPU: 2942.74, 0.00311607/step Wall: 2942.74, 0.00311607/step, 3.51077 hours remaining, 234.390625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 944000 4054.0377 20729.4596 14474.6108 230.9149 -202893.8430 2656.2520 0.0000 0.0000 51882.7001 -108865.8678 298.1706 -160748.5679 -108501.3477 299.0844 -22.8973 6.2330 761726.3445 9.6303 9.6715 PRESSURE: 944200 19.0044 -107.96 -39.7507 -107.961 471.392 106.969 -39.751 106.968 101.832 GPRESSURE: 944200 34.6627 -35.857 41.1364 -161.169 513.587 33.3676 -119.941 102.033 139.842 PRESSAVG: 944200 -58.0186 31.642 33.3074 31.642 18.4929 -17.7961 33.3073 -17.7961 13.0648 GPRESSAVG: 944200 -58.1253 32.5849 32.0419 32.4761 18.7057 -17.2809 35.0978 -17.9096 13.1858 TIMING: 944200 CPU: 2943.37, 0.00313418/step Wall: 2943.37, 0.00313418/step, 3.53101 hours remaining, 234.390625 MB of memory in use. ENERGY: 944200 3942.4237 20463.2125 14402.0109 240.9057 -203124.9595 2945.5407 0.0000 0.0000 52354.4268 -108776.4393 300.8816 -161130.8661 -108403.5173 300.3848 197.4095 229.3638 760507.8767 -8.8203 -8.7446 LDB: ============= START OF LOAD BALANCING ============== 2955.85 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2955.85 LDB: =============== DONE WITH MIGRATION ================ 2955.85 LDB: ============= START OF LOAD BALANCING ============== 2956.17 LDB: Largest compute 7002 load 0.030350 is 15.6% of average load 0.195096 LDB: Average compute 0.004408 is 2.3% of average load 0.195096 LDB: TIME 2956.17 LOAD: AVG 0.195096 MAX 0.216147 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.957 MB LDB: TIME 2956.17 LOAD: AVG 0.195096 MAX 0.216147 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.957 MB LDB: TIME 2956.17 LOAD: AVG 0.195096 MAX 0.216147 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.957 MB LDB: ============== END OF LOAD BALANCING =============== 2956.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2956.18 PRESSURE: 944400 -102.737 -3.11948 -110.879 -3.11922 -189.488 54.8814 -110.879 54.8818 164.797 GPRESSURE: 944400 -58.954 13.41 -186.014 5.59053 -116.742 71.048 22.3836 -60.5757 117.54 PRESSAVG: 944400 19.3209 -64.4439 27.4166 -64.444 -1.2209 -68.1336 27.4166 -68.1336 5.00845 GPRESSAVG: 944400 18.6828 -65.9776 27.2108 -64.3661 -0.397523 -68.2475 26.6911 -66.6494 4.5321 TIMING: 944400 CPU: 2944.01, 0.00319411/step Wall: 2944.01, 0.00319411/step, 3.59835 hours remaining, 234.753906 MB of memory in use. ENERGY: 944400 3902.8402 20666.7330 14439.5584 260.1866 -202707.4520 2488.4440 0.0000 0.0000 52164.5205 -108785.1694 299.7902 -160949.6898 -108426.2089 300.1745 -42.4759 -19.3853 763118.2871 7.7028 7.6058 PRESSURE: 944600 -337.218 -267.564 81.6408 -267.564 31.8824 220.401 81.6415 220.4 -170.114 GPRESSURE: 944600 -336.858 -219.281 81.7891 -219.61 53.1014 352.92 115.889 210.092 -115.141 PRESSAVG: 944600 20.6728 -39.8506 9.21446 -39.8506 -29.98 2.16794 9.2145 2.16794 -10.9419 GPRESSAVG: 944600 19.4294 -39.5582 9.84921 -39.0617 -29.4612 2.28476 9.96534 1.01608 -10.989 TIMING: 944600 CPU: 2944.64, 0.00315127/step Wall: 2944.64, 0.00315127/step, 3.5499 hours remaining, 234.957031 MB of memory in use. ENERGY: 944600 3984.0250 20742.6889 14387.7879 235.5765 -202810.3904 2609.4075 0.0000 0.0000 51896.7296 -108954.1750 298.2512 -160850.9046 -108598.7372 299.7347 -158.4831 -132.9662 763207.2076 -6.7497 -7.0069 PRESSURE: 944800 -42.4412 60.5724 -19.3277 60.5715 223.057 3.35028 -19.3282 3.35108 -266.523 GPRESSURE: 944800 23.5544 -66.9222 -24.2829 190.773 283.791 -42.9741 -127.081 134.676 -305.764 PRESSAVG: 944800 30.827 21.1661 -20.9141 21.1661 16.5612 -17.8349 -20.9141 -17.8348 -19.3665 GPRESSAVG: 944800 32.1846 21.5646 -19.4697 20.4499 16.0941 -19.0696 -23.9066 -16.9243 -19.4023 TIMING: 944800 CPU: 2945.27, 0.00313813/step Wall: 2945.27, 0.00313813/step, 3.53493 hours remaining, 234.957031 MB of memory in use. ENERGY: 944800 3925.0546 20459.8367 14422.0854 230.2938 -202778.5466 2566.4661 0.0000 0.0000 52209.1450 -108965.6649 300.0467 -161174.8099 -108598.4696 299.5630 -28.6356 0.5271 761341.9658 9.3406 9.6255 PRESSURE: 945000 269.579 191.04 -82.0425 191.04 85.7514 184.739 -82.0418 184.739 37.2192 GPRESSURE: 945000 226.263 168.324 -91.6761 233.676 120.531 219.135 -118.232 62.1919 115.877 PRESSAVG: 945000 -10.2519 51.1579 12.351 51.1579 22.2473 6.53731 12.351 6.53735 -17.3122 GPRESSAVG: 945000 -10.8182 51.1721 9.9786 50.2479 22.3531 7.33363 13.0567 5.2254 -16.5196 TIMING: 945000 CPU: 2945.9, 0.0031348/step Wall: 2945.9, 0.0031348/step, 3.531 hours remaining, 234.957031 MB of memory in use. ENERGY: 945000 4008.9848 20436.7850 14379.7009 240.8100 -203478.4504 3225.0143 0.0000 0.0000 51944.3746 -109242.7809 298.5250 -161187.1555 -108878.6619 299.1972 130.8500 154.2239 762510.1063 -1.7723 -1.6616 PRESSURE: 945200 -40.2347 -118.843 291.934 -118.844 45.0977 -185.421 291.934 -185.42 344.876 GPRESSURE: 945200 8.42554 -58.7786 328.025 -140.412 90.9355 -111.751 373.803 -152.364 349.312 PRESSAVG: 945200 -18.937 1.96684 24.2899 1.96681 -20.0965 6.94366 24.2899 6.94361 11.241 GPRESSAVG: 945200 -17.6306 0.655484 24.5786 3.60409 -20.1867 7.70704 26.6944 3.90893 10.0253 TIMING: 945200 CPU: 2946.52, 0.00313414/step Wall: 2946.52, 0.00313414/step, 3.53009 hours remaining, 234.957031 MB of memory in use. ENERGY: 945200 4003.3801 20385.9992 14370.1388 271.5523 -202958.2967 2861.5899 0.0000 0.0000 52094.3682 -108971.2682 299.3871 -161065.6364 -108613.9102 299.3266 116.5795 149.5578 764298.3001 -9.2642 -9.2640 PRESSURE: 945400 4.38414 -8.9969 -169.009 -8.99681 -204.235 -117.954 -169.008 -117.953 -186.509 GPRESSURE: 945400 -74.4658 58.1394 -215.329 -49.2136 -43.5909 -131.659 -182.888 -109.448 -181.479 PRESSAVG: 945400 -9.25994 -15.4264 7.83908 -15.4264 11.4554 -15.045 7.8391 -15.045 -5.38727 GPRESSAVG: 945400 -10.9656 -14.1741 7.17736 -18.862 12.364 -14.9573 5.87788 -11.8756 -4.87982 TIMING: 945400 CPU: 2947.15, 0.00315843/step Wall: 2947.15, 0.00315843/step, 3.55727 hours remaining, 234.957031 MB of memory in use. ENERGY: 945400 3934.7914 20413.2295 14322.1148 240.5228 -202601.7091 2625.6710 0.0000 0.0000 52212.7413 -108852.6383 300.0673 -161065.3796 -108495.4672 299.3896 -128.7864 -99.8452 763777.4096 -1.0639 -1.1605 PRESSURE: 945600 -69.8436 9.50606 -14.4171 9.50528 -278.751 -163.357 -14.4171 -163.358 213.888 GPRESSURE: 945600 -22.4149 14.7041 -16.0234 -103.477 -201.144 -134.171 -1.68333 -179.104 190.268 PRESSAVG: 945600 -2.63131 2.45343 78.927 2.45344 73.0436 24.1891 78.927 24.1891 -3.34396 GPRESSAVG: 945600 -2.05143 0.877171 78.8215 4.49326 71.5202 24.8003 81.2439 24.0391 -2.84924 TIMING: 945600 CPU: 2947.78, 0.00313943/step Wall: 2947.78, 0.00313943/step, 3.5357 hours remaining, 234.957031 MB of memory in use. ENERGY: 945600 3964.9995 20624.5940 14342.5512 259.8089 -202768.5566 2626.2008 0.0000 0.0000 51871.5972 -109078.8051 298.1068 -160950.4023 -108711.7120 299.3198 -44.9020 -11.0967 763804.9436 22.3561 22.2065 PRESSURE: 945800 -36.8915 166.648 59.5212 166.647 -68.9832 55.3047 59.5216 55.3051 -188.997 GPRESSURE: 945800 32.0509 14.0943 44.2243 201.521 -49.7858 73.53 118.839 136.375 -180.05 PRESSAVG: 945800 42.3938 -69.2968 12.2867 -69.2967 -35.8977 12.854 12.2867 12.854 6.46635 GPRESSAVG: 945800 42.7767 -69.0724 12.7833 -69.8105 -35.8755 11.8598 10.8479 12.8027 5.45393 TIMING: 945800 CPU: 2948.41, 0.00315037/step Wall: 2948.41, 0.00315037/step, 3.54784 hours remaining, 234.957031 MB of memory in use. ENERGY: 945800 4057.4609 20482.2351 14390.9607 250.3071 -202981.1718 2825.1574 0.0000 0.0000 52143.3970 -108831.6536 299.6688 -160975.0506 -108474.2446 299.5531 -98.2906 -65.9283 764435.8057 4.3208 4.1184 PRESSURE: 946000 -77.5821 70.7109 292.48 70.7104 -184.624 202.519 292.481 202.519 -370.261 GPRESSURE: 946000 -49.3452 29.264 344.098 54.1531 -157.439 161.013 220.815 205.89 -341.502 PRESSAVG: 946000 15.7672 -43.3472 -14.6492 -43.3472 -53.2579 23.7393 -14.6492 23.7394 10.5348 GPRESSAVG: 946000 15.2639 -42.0992 -14.8644 -42.4404 -53.4762 22.9021 -16.9358 23.296 11.7069 TIMING: 946000 CPU: 2949.04, 0.00313734/step Wall: 2949.04, 0.00313734/step, 3.533 hours remaining, 234.957031 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: 946000 3977.4535 20646.6943 14431.8350 251.7020 -202436.6886 2352.3232 0.0000 0.0000 52063.8572 -108712.8234 299.2117 -160776.6806 -108362.4637 299.4929 -210.8225 -182.7621 765390.9203 -8.9853 -8.8351 PRESSURE: 946200 -85.9025 32.4305 -181.373 32.4299 -328.033 -114.033 -181.373 -114.033 -57.1079 GPRESSURE: 946200 -61.9283 36.3291 -107.454 8.25914 -263.939 -123.607 -227.77 -192.973 -42.5872 PRESSAVG: 946200 -21.0016 -17.2378 -11.6579 -17.2378 41.7072 41.6701 -11.6579 41.6701 11.3857 GPRESSAVG: 946200 -21.2757 -18.1095 -12.0433 -17.4162 42.473 41.622 -9.92435 43.0923 11.1792 TIMING: 946200 CPU: 2949.67, 0.00313652/step Wall: 2949.67, 0.00313652/step, 3.5319 hours remaining, 234.957031 MB of memory in use. ENERGY: 946200 3992.0688 20627.0383 14339.5644 238.5133 -202651.2867 2657.1531 0.0000 0.0000 52260.0114 -108536.9375 300.3390 -160796.9489 -108179.2992 300.2006 -157.0143 -122.8181 763736.4279 10.6971 10.7922 PRESSURE: 946400 -264.859 81.8086 45.1435 81.8093 -324.082 70.1041 45.1437 70.1031 -185.619 GPRESSURE: 946400 -159.137 39.0081 39.8283 201.365 -307.575 67.7774 82.3271 91.8931 -207.936 PRESSAVG: 946400 49.1554 -37.3581 -15.1086 -37.358 0.0360079 6.20222 -15.1086 6.20226 -5.87562 GPRESSAVG: 946400 49.3208 -39.1462 -13.9775 -36.175 0.66768 7.20625 -15.9663 6.87787 -6.5851 TIMING: 946400 CPU: 2950.29, 0.00313578/step Wall: 2950.29, 0.00313578/step, 3.53089 hours remaining, 234.957031 MB of memory in use. ENERGY: 946400 4110.2561 20452.9440 14396.1467 239.2084 -202558.3060 2514.3852 0.0000 0.0000 52285.3551 -108560.0103 300.4847 -160845.3654 -108199.4423 300.2901 -258.1864 -224.8828 763608.1095 14.4386 14.4678 PRESSURE: 946600 172.002 -91.2146 -28.526 -91.2143 -96.8707 -45.1033 -28.526 -45.1043 285.862 GPRESSURE: 946600 258.054 -159.93 11.9723 -146.73 -36.6645 3.97543 23.1985 -29.347 243.324 PRESSAVG: 946600 4.53815 -21.5438 29.7377 -21.5438 6.20043 -57.5729 29.7377 -57.5729 -13.3339 GPRESSAVG: 946600 4.12047 -18.2708 29.9759 -22.8719 6.11183 -56.9995 30.5827 -59.7532 -12.6612 TIMING: 946600 CPU: 2950.92, 0.00315212/step Wall: 2950.92, 0.00315212/step, 3.54911 hours remaining, 234.957031 MB of memory in use. ENERGY: 946600 3997.0858 20396.6498 14455.7190 254.0477 -202751.2166 2595.1601 0.0000 0.0000 52422.9910 -108629.5631 301.2756 -161052.5541 -108254.6262 300.1577 120.3311 154.9044 764848.8214 -0.8651 -0.8096 PRESSURE: 946800 81.2276 -168.306 88.827 -168.305 -99.2028 67.193 88.8277 67.193 -64.1055 GPRESSURE: 946800 182.253 -183.547 89.9428 -156.016 -185.822 14.8181 -43.7498 168.091 1.44208 PRESSAVG: 946800 -9.04739 -8.908 47.2802 -8.90805 -76.5404 5.60653 47.2803 5.60652 10.1245 GPRESSAVG: 946800 -8.47791 -10.6665 46.4663 -9.31665 -77.3426 6.30036 46.9407 6.20013 10.1569 TIMING: 946800 CPU: 2951.55, 0.0031477/step Wall: 2951.55, 0.0031477/step, 3.54396 hours remaining, 234.957031 MB of memory in use. ENERGY: 946800 4006.4519 20629.6037 14493.8913 241.6082 -203371.9483 3178.0215 0.0000 0.0000 51888.2151 -108934.1566 298.2023 -160822.3717 -108578.3857 299.1030 -27.3602 -0.7089 766284.2992 -25.1544 -25.2212 PRESSURE: 947000 -106.761 -269.242 -236.789 -269.241 148.833 205.637 -236.789 205.638 -399.321 GPRESSURE: 947000 -35.6755 -337.469 -283.871 -72.2441 102.146 146.284 -187.258 75.02 -361.35 PRESSAVG: 947000 -22.6834 -25.9653 0.162097 -25.9653 26.4067 9.98827 0.162119 9.98826 33.7417 GPRESSAVG: 947000 -21.2631 -25.7594 -0.733914 -25.8813 25.8508 9.05388 0.438716 10.3393 32.8205 TIMING: 947000 CPU: 2952.19, 0.00316609/step Wall: 2952.19, 0.00316609/step, 3.56448 hours remaining, 234.957031 MB of memory in use. ENERGY: 947000 3992.7944 20591.0708 14458.1077 267.8067 -203265.2053 2975.3805 0.0000 0.0000 51798.9214 -109181.1240 297.6891 -160980.0454 -108828.1054 298.7123 -119.0831 -98.2932 762897.9575 12.4883 12.4694 PRESSURE: 947200 -8.20814 64.0848 -70.5602 64.0833 -45.8943 -47.0918 -70.5604 -47.0914 16.5063 GPRESSURE: 947200 88.2846 -3.34669 -102.535 123.224 -53.9655 -41.3858 59.5682 -27.7305 -7.07008 PRESSAVG: 947200 40.0899 -22.2097 87.7444 -22.2096 -13.0506 15.0011 87.7444 15.0012 -10.205 GPRESSAVG: 947200 39.3725 -21.686 87.7354 -21.0034 -13.2244 16.6078 88.3569 13.0884 -9.35286 TIMING: 947200 CPU: 2952.82, 0.00314306/step Wall: 2952.82, 0.00314306/step, 3.53839 hours remaining, 234.957031 MB of memory in use. ENERGY: 947200 4016.3954 20680.7133 14411.3972 238.5399 -202863.2919 2641.6114 0.0000 0.0000 51731.5365 -109143.0982 297.3019 -160874.6348 -108784.7568 299.1437 -12.5320 9.0830 764006.8007 5.6114 5.5984 PRESSURE: 947400 -83.5201 -0.928461 53.6891 -0.929012 -184.992 -23.3888 53.6905 -23.3889 183.659 GPRESSURE: 947400 -59.7983 98.3695 68.9244 -3.03922 -76.5976 -21.096 145.492 -26.6228 131.944 PRESSAVG: 947400 4.82502 -15.4886 17.8793 -15.4886 -39.9995 10.5972 17.8793 10.5971 12.8434 GPRESSAVG: 947400 4.7062 -14.6175 17.4025 -17.6522 -41.4319 9.52387 17.3988 9.65653 13.9067 TIMING: 947400 CPU: 2953.44, 0.00312586/step Wall: 2953.44, 0.00312586/step, 3.51885 hours remaining, 234.957031 MB of memory in use. ENERGY: 947400 3991.0029 20572.8254 14523.5482 257.7499 -203339.0618 2888.1946 0.0000 0.0000 52134.3785 -108971.3623 299.6170 -161105.7408 -108616.4945 299.3990 -28.2842 -1.4839 765596.1859 -7.4437 -7.6063 PRESSURE: 947600 114.9 -109.029 77.3377 -109.03 -79.9411 -30.6489 77.337 -30.6486 531.432 GPRESSURE: 947600 96.5524 -72.804 90.7405 -136.728 85.3251 -42.6791 75.225 -3.49075 491.357 PRESSAVG: 947600 -42.5073 -13.9293 6.32591 -13.9293 64.6892 13.7383 6.32595 13.7383 3.77273 GPRESSAVG: 947600 -42.426 -13.6536 7.41895 -13.2477 66.7311 14.0887 7.25021 15.6864 1.78191 TIMING: 947600 CPU: 2954.07, 0.00312321/step Wall: 2954.07, 0.00312321/step, 3.5157 hours remaining, 234.957031 MB of memory in use. ENERGY: 947600 3980.6398 20584.7008 14496.1602 248.8067 -203275.7542 3127.5919 0.0000 0.0000 52077.7495 -108760.1054 299.2915 -160837.8548 -108409.1131 299.7214 188.7967 224.4114 764787.1145 8.6516 8.6957 PRESSURE: 947800 -99.3057 10.0004 276.561 9.99998 114.304 286.754 276.561 286.752 -509.145 GPRESSURE: 947800 -99.4428 -22.2985 191.926 83.4989 163.898 204.203 204.629 340.752 -468.466 PRESSAVG: 947800 -18.8473 34.8521 -35.8006 34.8522 28.945 47.5887 -35.8006 47.5887 7.49165 GPRESSAVG: 947800 -20.5054 34.0916 -36.5877 35.155 27.9191 47.7315 -35.9761 46.6076 10.3564 TIMING: 947800 CPU: 2954.69, 0.00313197/step Wall: 2954.69, 0.00313197/step, 3.52538 hours remaining, 234.957031 MB of memory in use. ENERGY: 947800 4054.7150 20277.4425 14487.5710 247.9708 -202827.8409 2697.0269 0.0000 0.0000 52250.3381 -108812.7766 300.2834 -161063.1147 -108444.8351 299.6485 -164.7156 -134.6702 764740.2847 5.8631 5.9233 PRESSURE: 948000 84.6597 78.7262 201.59 78.7259 -241.19 161.378 201.59 161.378 -528.118 GPRESSURE: 948000 124.862 87.395 136.749 97.3631 -179.062 167.035 172.963 276.626 -558.89 PRESSAVG: 948000 -24.4988 38.5598 -13.5999 38.5597 -5.96719 19.8156 -13.5999 19.8155 2.57535 GPRESSAVG: 948000 -23.1778 39.1393 -12.6108 38.9612 -4.62417 20.2937 -14.9948 22.4263 -0.257516 TIMING: 948000 CPU: 2955.32, 0.00315648/step Wall: 2955.32, 0.00315648/step, 3.55279 hours remaining, 234.957031 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: 948000 4035.5279 20508.5275 14490.1408 255.8754 -202793.7368 2598.6602 0.0000 0.0000 52087.1592 -108817.8459 299.3456 -160905.0051 -108458.5453 299.3978 -228.2160 -204.3634 765398.8950 -9.2969 -9.3532 PRESSURE: 948200 43.9087 -89.3552 -23.3104 -89.3548 34.9409 -182.805 -23.3116 -182.804 63.6979 GPRESSURE: 948200 71.966 -114.28 -28.3109 -59.9504 114.958 -199.165 -27.8663 -282.171 33.5757 PRESSAVG: 948200 -10.3533 -10.6811 0.240354 -10.6811 9.80122 -25.7772 0.240289 -25.7771 -2.68941 GPRESSAVG: 948200 -11.6065 -10.816 -0.43857 -11.2241 10.868 -27.3933 1.94901 -27.3438 -2.63302 TIMING: 948200 CPU: 2955.95, 0.00312778/step Wall: 2955.95, 0.00312778/step, 3.52032 hours remaining, 234.957031 MB of memory in use. ENERGY: 948200 4018.8287 20572.4582 14523.5967 248.1860 -203321.9620 2909.4157 0.0000 0.0000 52023.7430 -109025.7338 298.9812 -161049.4768 -108669.7863 299.1675 47.5158 73.4999 765043.4574 -1.0805 -1.1239 LDB: ============= START OF LOAD BALANCING ============== 2968.43 LDB: ============== END OF LOAD BALANCING =============== 2968.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2968.43 LDB: ============= START OF LOAD BALANCING ============== 2968.74 LDB: Largest compute 6972 load 0.029608 is 15.2% of average load 0.195063 LDB: Average compute 0.004374 is 2.2% of average load 0.195063 LDB: TIME 2968.75 LOAD: AVG 0.195063 MAX 0.214581 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.305 MB LDB: TIME 2968.75 LOAD: AVG 0.195063 MAX 0.214581 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.344 MB LDB: TIME 2968.75 LOAD: AVG 0.195063 MAX 0.214581 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.344 MB LDB: ============== END OF LOAD BALANCING =============== 2968.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2968.75 PRESSURE: 948400 -234.628 -120.561 76.8013 -120.562 -35.9544 -124.822 76.8012 -124.822 184.351 GPRESSURE: 948400 -177.595 -56.9474 31.266 -47.2909 15.9248 -52.2067 96.391 -81.5852 150.018 PRESSAVG: 948400 -27.4776 -53.0037 19.4642 -53.0036 25.1895 -34.646 19.4642 -34.646 -24.6713 GPRESSAVG: 948400 -27.7305 -53.4325 19.4631 -52.364 25.1434 -35.0375 17.1062 -33.7118 -24.614 TIMING: 948400 CPU: 2956.59, 0.00319991/step Wall: 2956.59, 0.00319991/step, 3.60132 hours remaining, 233.984375 MB of memory in use. ENERGY: 948400 3977.0453 20571.6300 14527.0752 243.9666 -203206.5179 2902.6068 0.0000 0.0000 52071.9264 -108912.2676 299.2581 -160984.1940 -108542.0355 299.4135 -28.7436 -3.8839 765646.0331 -8.9865 -9.0670 PRESSURE: 948600 -378.34 -28.6975 27.2858 -28.6978 -322.326 129.169 27.2859 129.17 -415.514 GPRESSURE: 948600 -239.575 -25.2268 -27.2959 0.617336 -311.077 91.4195 60.8073 131.414 -452.301 PRESSAVG: 948600 -21.7682 -71.5517 5.90773 -71.5517 28.0962 -10.8389 5.90777 -10.8389 21.7203 GPRESSAVG: 948600 -20.693 -71.5487 4.68891 -71.4981 25.959 -9.54793 6.82364 -10.8861 22.7195 TIMING: 948600 CPU: 2957.21, 0.00313042/step Wall: 2957.21, 0.00313042/step, 3.52294 hours remaining, 233.984375 MB of memory in use. ENERGY: 948600 4019.9364 20417.7333 14496.4931 281.7509 -203229.1090 2898.4765 0.0000 0.0000 52299.3892 -108815.3298 300.5653 -161114.7189 -108453.5542 299.3463 -372.0596 -334.3175 765336.1011 9.3494 9.3285 PRESSURE: 948800 127.122 -192.923 114.105 -192.922 -295.007 -78.1894 114.105 -78.1893 -234.401 GPRESSURE: 948800 124.36 -134.622 144.412 -112.192 -200.994 -61.7414 205.241 16.837 -231.503 PRESSAVG: 948800 30.3212 -16.1414 16.2837 -16.1415 7.34194 -41.9564 16.2837 -41.9564 -6.74831 GPRESSAVG: 948800 30.3666 -15.6881 19.0148 -18.4095 8.84405 -41.5831 17.2637 -42.2301 -8.34425 TIMING: 948800 CPU: 2957.84, 0.00313511/step Wall: 2957.84, 0.00313511/step, 3.52804 hours remaining, 233.984375 MB of memory in use. ENERGY: 948800 3963.1628 20531.0973 14525.3295 250.1303 -202977.0325 2590.1042 0.0000 0.0000 52178.3849 -108938.8234 299.8699 -161117.2084 -108571.8226 299.3446 -134.0952 -102.7126 763603.0337 10.3049 10.2888 PRESSURE: 949000 -79.4737 84.6387 -19.7063 84.6382 69.2322 -133.72 -19.7065 -133.721 -169.443 GPRESSURE: 949000 -23.7441 -2.74064 15.9569 167.23 -1.87054 -91.8623 -87.9861 -85.7796 -61.4962 PRESSAVG: 949000 -35.4153 -37.192 -23.8033 -37.192 12.6561 -44.1804 -23.8033 -44.1803 19.4044 GPRESSAVG: 949000 -34.8872 -35.1984 -24.3175 -37.1317 11.2354 -44.3199 -26.2352 -43.4097 20.2689 TIMING: 949000 CPU: 2958.47, 0.00315515/step Wall: 2958.47, 0.00315515/step, 3.55042 hours remaining, 233.984375 MB of memory in use. ENERGY: 949000 4013.1601 20523.6036 14459.9103 246.6450 -203171.6871 2722.9797 0.0000 0.0000 52264.4657 -108940.9228 300.3646 -161205.3885 -108578.9318 299.9630 -59.8949 -29.0370 764187.2370 -1.1183 -1.1276 PRESSURE: 949200 -200.323 -70.6972 89.1465 -70.697 -141.755 108.494 89.1463 108.494 3.5534 GPRESSURE: 949200 -149.568 -78.4351 -1.80403 31.0531 -136.971 113.673 100.042 86.0586 26.7232 PRESSAVG: 949200 -34.7012 15.5308 -3.54557 15.5309 34.8847 -40.4506 -3.54559 -40.4507 7.38168 GPRESSAVG: 949200 -34.5358 12.2153 -3.72103 18.4946 35.0852 -41.4121 -1.82684 -41.1515 7.14762 TIMING: 949200 CPU: 2959.1, 0.00315643/step Wall: 2959.1, 0.00315643/step, 3.55169 hours remaining, 233.984375 MB of memory in use. ENERGY: 949200 4054.0621 20479.2282 14451.5760 241.0351 -202715.3219 2672.1936 0.0000 0.0000 51975.9939 -108841.2332 298.7068 -160817.2271 -108476.0336 299.6915 -112.8416 -86.6053 763676.0672 2.5217 2.5657 PRESSURE: 949400 -249.451 74.3413 93.7657 74.3405 -431.639 -192.835 93.766 -192.835 -99.0379 GPRESSURE: 949400 -262.759 73.6469 62.4757 9.06758 -304.54 -219.832 32.8077 -205.601 -153.615 PRESSAVG: 949400 -23.7642 0.866106 46.6162 0.866086 22.1735 -58.796 46.6163 -58.796 -6.61648 GPRESSAVG: 949400 -24.6837 -7.77443e-05 46.5577 0.0966668 22.5771 -58.0712 44.4409 -60.0132 -6.24628 TIMING: 949400 CPU: 2959.73, 0.00314803/step Wall: 2959.73, 0.00314803/step, 3.54206 hours remaining, 233.984375 MB of memory in use. ENERGY: 949400 3978.0171 20517.9567 14366.1305 244.7790 -202191.9885 2111.6422 0.0000 0.0000 51969.1948 -109004.2683 298.6677 -160973.4631 -108636.7328 298.8455 -260.0424 -240.3048 765586.6000 -2.7357 -2.7843 PRESSURE: 949600 -45.9555 -136.264 207.821 -136.263 -271.936 76.6115 207.822 76.6104 -126.677 GPRESSURE: 949600 -76.8563 -66.1667 209.569 -56.2572 -168.942 115.622 292.637 21.4952 -122.521 PRESSAVG: 949600 -40.9831 -2.50391 34.9 -2.50387 32.8186 5.72634 34.9 5.72632 -1.33538 GPRESSAVG: 949600 -39.8616 0.389859 34.406 -2.70173 33.1346 6.34163 36.233 6.24389 -2.48317 TIMING: 949600 CPU: 2960.37, 0.00316/step Wall: 2960.37, 0.00316/step, 3.55536 hours remaining, 233.984375 MB of memory in use. ENERGY: 949600 3987.2591 20597.5802 14481.1692 244.5690 -203071.2663 2779.7054 0.0000 0.0000 51938.4909 -109042.4925 298.4912 -160980.9834 -108682.7345 298.3407 -148.1896 -122.7729 764989.3701 -3.1666 -3.0701 PRESSURE: 949800 40.7445 80.7928 -214.96 80.7927 250.178 -315.889 -214.96 -315.89 298.176 GPRESSURE: 949800 33.8756 53.9012 -172.934 88.9967 261.491 -306.557 -154.927 -385.429 388.316 PRESSAVG: 949800 -6.30159 -21.276 4.22361 -21.276 -1.16614 -46.3834 4.22369 -46.3835 -14.6233 GPRESSAVG: 949800 -6.79052 -21.4981 4.22061 -21.5351 -0.842598 -45.5156 4.52714 -46.3824 -14.1201 TIMING: 949800 CPU: 2961, 0.00315231/step Wall: 2961, 0.00315231/step, 3.54653 hours remaining, 233.984375 MB of memory in use. ENERGY: 949800 3966.5320 20392.1393 14432.3193 263.1481 -203436.6480 3325.5837 0.0000 0.0000 51978.7455 -109078.1803 298.7226 -161056.9258 -108717.0550 298.9617 196.3662 227.8942 764914.6537 -7.3637 -7.2511 PRESSURE: 950000 -141.113 -206.056 144.051 -206.057 17.0986 237.521 144.051 237.521 5.69278 GPRESSURE: 950000 -114.176 -272.42 94.5127 -74.7094 85.729 242.129 93.917 289.625 4.73193 PRESSAVG: 950000 62.9687 6.3646 19.3241 6.3646 -35.6877 -31.7622 19.3241 -31.7622 -12.2405 GPRESSAVG: 950000 61.8511 5.69798 19.9326 6.4912 -35.444 -32.1731 18.9603 -33.2383 -11.8415 TIMING: 950000 CPU: 2961.63, 0.00315765/step Wall: 2961.63, 0.00315765/step, 3.55235 hours remaining, 233.984375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 950000 4103.1825 20452.0673 14499.7548 248.7368 -203091.0171 2879.2761 0.0000 0.0000 51814.0782 -109093.9215 297.7762 -160907.9997 -108746.5448 299.2287 -39.4406 -7.9052 764490.1293 5.0135 4.8552 PRESSURE: 950200 50.2569 366.351 207.587 366.351 156.703 77.8976 207.587 77.898 -58.7651 GPRESSURE: 950200 92.6727 249.978 289.846 282.479 141.119 84.543 51.6491 -46.837 31.4432 PRESSAVG: 950200 19.7761 66.4442 17.7356 66.4442 -7.58122 -30.2531 17.7356 -30.2531 -4.51044 GPRESSAVG: 950200 20.569 64.9984 18.6501 66.7922 -7.83859 -31.5956 15.4503 -29.3776 -4.38867 TIMING: 950200 CPU: 2962.25, 0.00313596/step Wall: 2962.25, 0.00313596/step, 3.52778 hours remaining, 233.984375 MB of memory in use. ENERGY: 950200 3950.0910 20554.6122 14378.3990 228.2434 -203137.8334 2956.7818 0.0000 0.0000 51878.5842 -109191.1219 298.1469 -161069.7061 -108844.6554 298.9200 49.3983 88.4117 763912.4503 2.5615 2.7806 PRESSURE: 950400 -257.591 -159.559 -129.443 -159.56 -263.371 -7.00518 -129.442 -7.004 -36.2813 GPRESSURE: 950400 -279.055 -73.9725 -78.3568 -19.2448 -294.639 -20.2538 -112.372 -38.2097 114.361 PRESSAVG: 950400 -11.6221 37.6593 1.40042 37.6593 -23.6152 18.7027 1.40047 18.7027 -23.6567 GPRESSAVG: 950400 -12.2004 39.0288 0.638223 37.7823 -25.1494 18.8696 3.1722 17.3996 -22.303 TIMING: 950400 CPU: 2962.88, 0.0031367/step Wall: 2962.88, 0.0031367/step, 3.52844 hours remaining, 233.984375 MB of memory in use. ENERGY: 950400 3921.7290 20492.3325 14458.3187 273.3191 -202651.8555 2423.7789 0.0000 0.0000 51963.5031 -109118.8742 298.6350 -161082.3773 -108760.5820 298.5206 -185.7477 -153.1109 764321.5688 -19.6313 -19.8843 PRESSURE: 950600 443.826 27.1162 137.708 27.1163 -206.978 -54.4625 137.708 -54.4638 35.8599 GPRESSURE: 950600 405.166 71.6553 161.891 68.8128 -81.4273 -3.22733 212.073 -42.6175 43.6402 PRESSAVG: 950600 15.181 63.2842 18.1822 63.2842 -18.998 23.3844 18.1822 23.3844 -10.6639 GPRESSAVG: 950600 15.7737 61.3403 18.0138 65.7963 -18.0333 21.9393 18.3561 24.4515 -12.1317 TIMING: 950600 CPU: 2963.51, 0.00313533/step Wall: 2963.51, 0.00313533/step, 3.52673 hours remaining, 233.984375 MB of memory in use. ENERGY: 950600 3948.6367 20491.0073 14514.5453 255.9616 -203470.4572 3003.9084 0.0000 0.0000 51957.1147 -109299.2832 298.5983 -161256.3979 -108934.3004 298.5803 90.9026 122.4595 763542.0611 -4.8270 -4.7971 PRESSURE: 950800 154.315 42.6705 -171.076 42.6714 140.72 -121.883 -171.077 -121.883 470.821 GPRESSURE: 950800 113.424 31.065 -194.904 80.6719 303.249 48.3132 -11.2098 -228.847 431.903 PRESSAVG: 950800 -3.90524 33.3937 -14.1103 33.3937 6.06615 -54.2529 -14.1103 -54.253 17.4697 GPRESSAVG: 950800 -4.89108 35.0018 -14.7264 33.5258 6.86826 -53.8797 -12.8899 -54.6819 17.6513 TIMING: 950800 CPU: 2964.14, 0.00313638/step Wall: 2964.14, 0.00313637/step, 3.52772 hours remaining, 233.984375 MB of memory in use. ENERGY: 950800 3956.7081 20684.5505 14434.1342 238.4348 -203943.9700 3273.8721 0.0000 0.0000 52156.3891 -109199.8812 299.7435 -161356.2702 -108845.3822 298.8871 255.2855 282.8588 763022.1298 6.5435 6.5428 PRESSURE: 951000 -140.126 10.4354 -269.837 10.4344 200.83 199.95 -269.836 199.951 -194.165 GPRESSURE: 951000 -105.148 -16.191 -220.147 -40.4547 234.471 187.65 -54.1708 98.4541 -187.886 PRESSAVG: 951000 -24.1192 65.8187 -3.90622 65.8188 -12.1393 5.70831 -3.90616 5.70838 -19.3055 GPRESSAVG: 951000 -23.021 65.2358 -2.61537 63.5265 -13.0171 5.90564 -5.34049 6.57852 -19.3663 TIMING: 951000 CPU: 2964.76, 0.00312876/step Wall: 2964.76, 0.00312876/step, 3.51899 hours remaining, 233.984375 MB of memory in use. ENERGY: 951000 3983.5058 20669.8835 14476.0866 253.1611 -203276.8699 3010.4180 0.0000 0.0000 52028.1666 -108855.6484 299.0066 -160883.8150 -108503.6909 299.5249 -44.4870 -19.5209 765323.4602 -18.5213 -18.4681 PRESSURE: 951200 -97.506 62.9246 -19.4874 62.9247 215.786 56.6844 -19.4873 56.6832 169.954 GPRESSURE: 951200 -51.8674 95.2183 -51.0534 114.973 240.901 29.4387 -26.2836 79.1959 189.014 PRESSAVG: 951200 -12.0009 0.194871 -29.5606 0.194792 -3.05739 -16.2398 -29.5606 -16.2397 -1.0357 GPRESSAVG: 951200 -11.3554 0.924245 -28.9819 -0.448553 -3.49355 -15.1232 -29.0038 -15.7249 -1.0576 TIMING: 951200 CPU: 2965.39, 0.00312711/step Wall: 2965.39, 0.00312711/step, 3.51695 hours remaining, 233.984375 MB of memory in use. ENERGY: 951200 3962.5280 20488.8093 14379.1801 243.1160 -202845.7168 2573.3932 0.0000 0.0000 52231.3242 -108967.3660 300.1741 -161198.6902 -108615.2175 300.0644 96.0778 126.0157 762487.2865 -5.3646 -5.3022 PRESSURE: 951400 19.3518 51.7119 159.999 51.7121 42.7504 51.0511 159.998 51.0503 -173.105 GPRESSURE: 951400 -15.4226 -15.8467 135.155 54.0597 49.5171 5.45388 120.375 47.8287 -54.9287 PRESSAVG: 951400 19.0244 -11.0962 -42.3915 -11.0962 -2.30674 -19.0719 -42.3916 -19.0719 -18.4616 GPRESSAVG: 951400 17.8106 -10.7757 -44.6372 -10.0982 -0.776817 -19.674 -40.4802 -20.4742 -17.9984 TIMING: 951400 CPU: 2966.01, 0.0031342/step Wall: 2966.01, 0.00313419/step, 3.52475 hours remaining, 233.984375 MB of memory in use. ENERGY: 951400 4013.3347 20617.3924 14392.5398 253.4938 -203057.5114 2637.6066 0.0000 0.0000 51878.9903 -109264.1538 298.1493 -161143.1441 -108907.4764 299.6175 -37.0010 -6.9447 762695.5242 -0.5813 -0.3215 PRESSURE: 951600 -277.259 80.7673 65.8316 80.7673 -203.925 255.953 65.8317 255.953 302.811 GPRESSURE: 951600 -199.163 -71.5539 96.3495 124.364 -188.631 217.444 13.448 123.663 304.968 PRESSAVG: 951600 19.7768 25.1139 -20.1037 25.1138 7.94981 -10.2993 -20.1037 -10.2993 0.422194 GPRESSAVG: 951600 20.4008 24.15 -20.588 26.2785 7.14695 -10.7326 -20.046 -9.26789 0.0662068 TIMING: 951600 CPU: 2966.65, 0.00316142/step Wall: 2966.65, 0.00316142/step, 3.55519 hours remaining, 233.984375 MB of memory in use. ENERGY: 951600 3960.1347 20626.2821 14372.1637 266.0579 -203494.0174 2872.0954 0.0000 0.0000 52060.5746 -109336.7090 299.1928 -161397.2836 -108971.1466 299.1953 -59.4577 -27.6086 761965.9537 9.3829 9.2047 PRESSURE: 951800 24.952 -62.6924 310.93 -62.6915 -85.0478 -116.759 310.929 -116.758 152.598 GPRESSURE: 951800 46.1568 -39.6281 335.396 148.665 6.3032 -114.438 148.243 -58.3088 113.398 PRESSAVG: 951800 -2.37011 21.3221 21.9865 21.3221 9.75467 -7.13199 21.9866 -7.13192 -1.52891 GPRESSAVG: 951800 -1.07951 22.0242 23.0271 19.9961 9.60552 -5.8957 18.8436 -8.41553 -2.6644 TIMING: 951800 CPU: 2967.27, 0.00312134/step Wall: 2967.27, 0.00312134/step, 3.50994 hours remaining, 233.984375 MB of memory in use. ENERGY: 951800 4005.0079 20442.6881 14478.2665 267.7422 -203150.4850 2753.8652 0.0000 0.0000 52039.7470 -109163.1683 299.0731 -161202.9152 -108795.4884 299.0525 30.8340 55.2860 763116.0523 1.9519 1.9539 PRESSURE: 952000 -415.862 184.886 17.3381 184.885 -156.3 240.287 17.3383 240.289 -55.1111 GPRESSURE: 952000 -241.672 186.449 -84.0772 181.685 -210.37 220.05 -80.167 102.007 -73.4311 PRESSAVG: 952000 17.2352 60.6711 -0.459196 60.6711 8.58885 32.2171 -0.459172 32.217 -7.25067 GPRESSAVG: 952000 17.0726 60.378 -2.00725 59.8191 8.10513 32.1077 2.19548 33.4826 -6.51284 TIMING: 952000 CPU: 2967.9, 0.00313496/step Wall: 2967.9, 0.00313496/step, 3.52509 hours remaining, 233.984375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 952000 3956.2784 20377.5950 14460.3502 244.5452 -203145.9129 2640.0503 0.0000 0.0000 52180.7873 -109286.3064 299.8837 -161467.0938 -108919.1007 298.8505 -209.0912 -175.1578 764296.9621 6.1911 6.2216 PRESSURE: 952200 93.3055 37.2867 -11.7115 37.2869 21.6375 78.8527 -11.7125 78.8525 -239.202 GPRESSURE: 952200 91.6431 38.0819 -45.3766 73.4141 71.4272 38.4792 -130.224 97.8196 -200.247 PRESSAVG: 952200 -64.4547 33.9867 -12.2491 33.9866 50.3849 11.9696 -12.2491 11.9696 5.98783 GPRESSAVG: 952200 -65.058 33.0505 -10.9122 35.9184 52.0843 11.2428 -12.1397 10.0975 4.75835 TIMING: 952200 CPU: 2968.52, 0.0031269/step Wall: 2968.52, 0.0031269/step, 3.51585 hours remaining, 233.984375 MB of memory in use. ENERGY: 952200 4018.5683 20501.2684 14447.5587 258.8685 -203252.8289 2666.5473 0.0000 0.0000 51971.9545 -109388.0632 298.6835 -161360.0176 -109027.0612 298.6859 -41.4197 -12.3923 762199.8134 -2.6940 -2.7384 LDB: ============= START OF LOAD BALANCING ============== 2981 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2981 LDB: =============== DONE WITH MIGRATION ================ 2981 LDB: ============= START OF LOAD BALANCING ============== 2981.32 LDB: Largest compute 6986 load 0.029092 is 14.9% of average load 0.195096 LDB: Average compute 0.004403 is 2.3% of average load 0.195096 LDB: TIME 2981.32 LOAD: AVG 0.195096 MAX 0.215118 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.984 MB LDB: TIME 2981.32 LOAD: AVG 0.195096 MAX 0.215118 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.984 MB LDB: TIME 2981.32 LOAD: AVG 0.195096 MAX 0.215118 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.984 MB LDB: ============== END OF LOAD BALANCING =============== 2981.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2981.33 PRESSURE: 952400 -284.329 -166.258 105.815 -166.258 -143.144 62.2218 105.816 62.2233 -34.6827 GPRESSURE: 952400 -157.284 -81.2797 90.161 -95.445 -173.961 72.7917 72.8108 -29.7796 -61.1688 PRESSAVG: 952400 -18.6309 30.0424 17.4075 30.0424 -35.1801 27.103 17.4075 27.103 0.607199 GPRESSAVG: 952400 -18.2018 31.8381 16.8633 27.4649 -36.8527 25.1656 17.6016 28.8103 1.24648 TIMING: 952400 CPU: 2969.16, 0.00319758/step Wall: 2969.16, 0.00319758/step, 3.59514 hours remaining, 234.812500 MB of memory in use. ENERGY: 952400 4041.1482 20530.3807 14437.5632 254.8127 -203155.7342 2517.6862 0.0000 0.0000 52008.2035 -109365.9397 298.8919 -161374.1432 -109001.9726 298.9451 -154.0517 -130.8044 761462.3017 -17.7346 -17.9360 PRESSURE: 952600 179.539 10.0562 57.2434 10.0563 243.723 37.2214 57.2441 37.2206 200.998 GPRESSURE: 952600 150.868 28.5735 34.6519 -1.93097 330.021 115.787 11.2432 -3.06289 236.58 PRESSAVG: 952600 1.00793 10.9588 8.74465 10.9588 -8.40953 28.9344 8.74466 28.9344 10.2353 GPRESSAVG: 952600 0.885645 11.9604 9.83846 13.4963 -8.92172 31.2744 7.21231 29.1823 10.4995 TIMING: 952600 CPU: 2969.79, 0.00312107/step Wall: 2969.79, 0.00312107/step, 3.50895 hours remaining, 235.011719 MB of memory in use. ENERGY: 952600 3985.3073 20584.0184 14391.7465 243.4087 -203285.1807 2682.9977 0.0000 0.0000 52146.0320 -109251.6701 299.6840 -161397.7021 -108895.4641 298.8321 208.0864 239.1563 761297.7328 0.9446 0.8211 PRESSURE: 952800 -48.1071 72.9751 253.953 72.9747 76.7518 -45.7876 253.952 -45.787 -274.081 GPRESSURE: 952800 -28.5452 53.6631 190.049 93.6831 143.455 -30.1241 95.3919 -1.33347 -259.253 PRESSAVG: 952800 48.528 3.43048 -0.791401 3.43043 -45.3805 24.1939 -0.791451 24.1939 -23.8914 GPRESSAVG: 952800 46.8557 3.43411 -1.97399 2.41823 -44.5851 24.1238 0.924526 22.893 -23.3115 TIMING: 952800 CPU: 2970.41, 0.00312792/step Wall: 2970.41, 0.00312792/step, 3.51648 hours remaining, 235.011719 MB of memory in use. ENERGY: 952800 4098.0955 20325.9460 14447.7921 262.0111 -203200.5964 2671.8079 0.0000 0.0000 52140.2791 -109254.6647 299.6509 -161394.9437 -108891.0226 298.5049 -81.8120 -48.1143 763435.6457 -6.9146 -7.0136 PRESSURE: 953000 -66.5211 -35.4377 -309.654 -35.4367 -22.4568 -136.16 -309.655 -136.16 -223.977 GPRESSURE: 953000 -10.8564 -82.209 -223.223 19.2353 -25.3384 -67.0804 -124 -112.079 -179.503 PRESSAVG: 953000 47.9473 21.8052 12.6431 21.8052 -68.0475 17.2785 12.6431 17.2785 34.2345 GPRESSAVG: 953000 48.4114 21.4622 14.6549 22.5416 -68.3524 17.4072 12.2478 17.6276 33.9789 TIMING: 953000 CPU: 2971.04, 0.00314146/step Wall: 2971.04, 0.00314146/step, 3.53152 hours remaining, 235.011719 MB of memory in use. ENERGY: 953000 4013.3143 20668.8218 14472.6904 244.7954 -203224.0916 2714.8824 0.0000 0.0000 52023.0591 -109086.5281 298.9772 -161109.5872 -108723.6210 299.2365 -104.3183 -71.8994 763834.9503 4.7114 4.6793 PRESSURE: 953200 -182.404 -70.0262 242.566 -70.0261 35.7046 -44.6277 242.566 -44.6281 -36.4834 GPRESSURE: 953200 -128.441 -88.1516 247.631 -106.881 45.9348 -89.8721 239.379 -131.21 -18.4464 PRESSAVG: 953200 30.9739 12.3383 -4.48148 12.3382 -48.8266 -10.2189 -4.48143 -10.2188 -24.4997 GPRESSAVG: 953200 30.6255 11.1964 -5.61161 11.6264 -48.359 -11.5516 -5.08482 -10.0521 -24.1946 TIMING: 953200 CPU: 2971.66, 0.00311845/step Wall: 2971.66, 0.00311845/step, 3.50548 hours remaining, 235.011719 MB of memory in use. ENERGY: 953200 3989.9964 20616.9052 14417.4939 240.0543 -202795.0525 2468.9818 0.0000 0.0000 52080.2093 -108981.4117 299.3057 -161061.6210 -108620.6169 299.2886 -61.0608 -33.6508 762389.3571 -14.1174 -13.9761 PRESSURE: 953400 -225.077 75.5599 -245.017 75.5602 -185.391 -11.7511 -245.017 -11.7507 399.093 GPRESSURE: 953400 -186.122 54.7664 -156.937 107.082 -79.5251 -9.56844 -316.301 89.6187 357.868 PRESSAVG: 953400 22.5398 -19.8058 20.6516 -19.8057 -4.52096 0.630365 20.6516 0.630446 21.7881 GPRESSAVG: 953400 24.5425 -19.7791 20.9397 -19.8594 -4.30647 0.516715 19.554 -0.673536 19.6629 TIMING: 953400 CPU: 2972.29, 0.00313315/step Wall: 2972.29, 0.00313315/step, 3.52183 hours remaining, 235.011719 MB of memory in use. ENERGY: 953400 3944.2167 20456.8197 14553.3667 257.1067 -202674.1185 2438.7894 0.0000 0.0000 51981.8173 -109042.0021 298.7402 -161023.8194 -108670.5895 299.1116 -3.7918 30.7402 762973.3657 13.2690 13.2997 PRESSURE: 953600 -204.919 248.208 -81.7113 248.208 -503.847 -205.443 -81.7117 -205.443 -110.755 GPRESSURE: 953600 -116.592 69.3497 -80.3384 160.484 -555.42 -175.671 -52.35 -79.398 -62.5712 PRESSAVG: 953600 19.2968 -5.16096 35.837 -5.16093 -69.9565 34.0482 35.8371 34.0482 28.7192 GPRESSAVG: 953600 17.7536 -5.24851 34.2631 -5.90382 -70.3033 36.0849 37.8773 33.5625 30.1519 TIMING: 953600 CPU: 2972.92, 0.0031456/step Wall: 2972.92, 0.0031456/step, 3.53565 hours remaining, 235.011719 MB of memory in use. ENERGY: 953600 4024.8561 20443.2591 14449.8546 244.3147 -203059.5427 2617.9841 0.0000 0.0000 51984.1659 -109295.1082 298.7537 -161279.2740 -108931.9607 298.6197 -273.1740 -244.8611 764265.9819 -7.3135 -7.4659 PRESSURE: 953800 133.805 -81.9192 -287.606 -81.9194 -276.12 19.1038 -287.607 19.1038 -187.113 GPRESSURE: 953800 158.177 -163.507 -166.656 43.9277 -214.93 -80.6443 -332.19 -57.3449 -170.514 PRESSAVG: 953800 56.3445 19.1102 -27.1113 19.1102 -38.0248 21.1628 -27.1113 21.1629 5.38328 GPRESSAVG: 953800 56.6366 19.4251 -25.7019 19.9454 -39.0332 19.0176 -26.9971 22.5872 5.93457 TIMING: 953800 CPU: 2973.55, 0.00314191/step Wall: 2973.55, 0.00314191/step, 3.53133 hours remaining, 235.011719 MB of memory in use. ENERGY: 953800 3954.8582 20518.8387 14496.2689 247.7451 -203360.3122 2879.6354 0.0000 0.0000 52205.5190 -109057.4469 300.0258 -161262.9660 -108694.4563 299.2971 -109.8095 -75.7556 762331.4429 7.9010 7.8460 PRESSURE: 954000 148.888 55.5005 -105.179 55.5001 -2.78051 154.47 -105.179 154.471 224.215 GPRESSURE: 954000 185.392 102.102 -131.627 -44.6805 62.2988 153.91 -83.8732 78.4346 214.171 PRESSAVG: 954000 34.5234 65.9399 -15.1999 65.9399 -37.3572 -32.148 -15.2 -32.1481 0.262909 GPRESSAVG: 954000 33.3697 68.9612 -14.1609 64.3311 -35.3818 -31.8689 -15.5771 -32.1649 -0.524831 TIMING: 954000 CPU: 2974.18, 0.00313185/step Wall: 2974.18, 0.00313185/step, 3.51985 hours remaining, 235.011719 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: 954000 3916.7884 20518.9618 14425.1596 266.1485 -203104.4680 3048.8679 0.0000 0.0000 52088.4997 -108840.0421 299.3533 -160928.5418 -108481.3225 299.8051 123.4409 153.9541 764075.6975 -0.8570 -0.8456 PRESSURE: 954200 293.827 -41.9859 107.928 -41.9862 -167.131 -79.9474 107.928 -79.9468 -4.21616 GPRESSURE: 954200 331.627 -45.0005 122.072 33.2769 -138.272 -99.2917 70.4273 -126.641 38.6415 PRESSAVG: 954200 16.4673 6.92872 -3.08101 6.92878 -35.1177 -79.4008 -3.08101 -79.4008 -4.56927 GPRESSAVG: 954200 17.1631 4.22573 -4.89502 11.436 -37.1603 -80.1416 -2.10541 -77.9455 -3.18452 TIMING: 954200 CPU: 2974.8, 0.00313317/step Wall: 2974.8, 0.00313317/step, 3.52116 hours remaining, 235.011719 MB of memory in use. ENERGY: 954200 4032.5747 20481.7892 14391.8809 247.5256 -203207.4039 2988.3848 0.0000 0.0000 52037.8653 -109027.3834 299.0623 -161065.2487 -108665.6086 299.8123 40.8264 77.3321 764125.5280 -7.7399 -7.7273 PRESSURE: 954400 17.9312 -96.7722 -16.5891 -96.7727 -417.185 -258.739 -16.5888 -258.739 -270.676 GPRESSURE: 954400 8.16458 -69.9358 -60.1643 -96.2992 -315.028 -236.674 45.0265 -107.007 -278.402 PRESSAVG: 954400 52.7229 -40.6938 -22.5969 -40.6937 -85.1013 -24.7138 -22.5969 -24.7137 12.375 GPRESSAVG: 954400 52.2462 -39.8804 -21.7066 -43.2781 -83.9702 -22.9211 -23.3506 -26.0149 11.1875 TIMING: 954400 CPU: 2975.43, 0.0031225/step Wall: 2975.43, 0.0031225/step, 3.509 hours remaining, 235.011719 MB of memory in use. ENERGY: 954400 4086.5462 20439.3397 14415.6633 259.4146 -202688.0504 2503.5603 0.0000 0.0000 51916.2900 -109067.2363 298.3636 -160983.5263 -108704.8965 298.8797 -223.3100 -195.0884 764074.6118 -6.6678 -6.8455 PRESSURE: 954600 9.49794 34.9061 -161.592 34.9062 177.202 -54.2926 -161.591 -54.2924 -40.6508 GPRESSURE: 954600 98.8318 81.4985 -27.5929 -118.453 163.297 49.8945 -163.04 -123.113 -33.6158 PRESSAVG: 954600 8.11214 -19.4117 -23.9121 -19.4117 -12.8568 -50.2885 -23.9121 -50.2885 -2.67827 GPRESSAVG: 954600 7.58463 -20.6404 -24.1942 -20.3438 -12.9115 -48.7049 -25.8038 -51.5004 -1.84358 TIMING: 954600 CPU: 2976.05, 0.00311467/step Wall: 2976.05, 0.00311467/step, 3.50002 hours remaining, 235.011719 MB of memory in use. ENERGY: 954600 4016.8166 20542.8269 14448.9869 261.8879 -203312.7716 2934.9731 0.0000 0.0000 52256.4733 -108850.8069 300.3187 -161107.2803 -108498.9377 299.4777 48.6830 76.1711 761889.0488 -2.4743 -2.3901 PRESSURE: 954800 198.108 12.8152 91.4666 12.8155 126.137 -1.50209 91.4678 -1.50074 -115.864 GPRESSURE: 954800 203.771 -0.723905 26.3642 23.0429 174.895 -55.1562 110.847 5.7243 -86.0893 PRESSAVG: 954800 48.3182 -6.28991 -4.55706 -6.28999 -47.9539 -7.60193 -4.55705 -7.60195 16.9756 GPRESSAVG: 954800 48.2855 -4.88924 -3.99805 -5.53024 -47.4955 -9.06824 -4.70375 -7.05783 17.029 TIMING: 954800 CPU: 2976.67, 0.00311737/step Wall: 2976.67, 0.00311737/step, 3.50289 hours remaining, 235.011719 MB of memory in use. ENERGY: 954800 4019.8816 20385.3135 14466.5515 252.2143 -203060.8612 2907.4312 0.0000 0.0000 52250.2361 -108779.2330 300.2828 -161029.4692 -108413.8358 300.0006 69.4605 97.5257 763654.8658 5.7800 5.9397 PRESSURE: 955000 173.452 38.9903 -119.201 38.9907 -349.051 79.0995 -119.201 79.099 44.1968 GPRESSURE: 955000 141.279 8.12887 -166.424 43.4093 -285.144 -3.51852 -151.972 12.0039 72.6629 PRESSAVG: 955000 9.11089 13.1669 -50.4418 13.1669 -43.4144 -28.8177 -50.4417 -28.8176 -5.68717 GPRESSAVG: 955000 8.92836 12.6442 -51.9743 12.46 -43.3484 -31.0536 -47.4917 -28.7826 -5.1492 TIMING: 955000 CPU: 2977.3, 0.00312151/step Wall: 2977.3, 0.00312151/step, 3.50737 hours remaining, 235.011719 MB of memory in use. ENERGY: 955000 3989.2491 20651.7183 14438.6271 241.8171 -202765.6571 2531.3836 0.0000 0.0000 52117.0690 -108795.7930 299.5175 -160912.8619 -108432.8951 300.0521 -43.8008 -23.7341 765133.8177 -13.3302 -13.1897 PRESSURE: 955200 -83.3968 13.3377 230.075 13.3374 -263.693 -224.153 230.075 -224.154 -179.029 GPRESSURE: 955200 -122.901 28.8648 318.176 -51.836 -251.307 -189.433 133.07 -242.461 -51.6941 PRESSAVG: 955200 46.869 -11.2421 -15.6232 -11.242 -37.4913 -2.06755 -15.6233 -2.06746 4.59866 GPRESSAVG: 955200 46.2842 -12.4775 -15.8005 -11.2457 -36.7457 0.622666 -18.4526 -2.83335 4.39522 TIMING: 955200 CPU: 2977.92, 0.00312496/step Wall: 2977.92, 0.00312496/step, 3.51107 hours remaining, 235.011719 MB of memory in use. ENERGY: 955200 4084.0338 20378.5082 14469.9770 266.9720 -203155.4399 2886.3409 0.0000 0.0000 52086.6826 -108982.9254 299.3429 -161069.6080 -108619.6544 299.6666 -175.3732 -141.9674 764769.7848 4.6588 4.6446 PRESSURE: 955400 292.376 118.774 -17.2671 118.775 321.744 -58.0407 -17.2669 -58.0397 -14.6879 GPRESSURE: 955400 414.313 168.261 82.2011 71.7984 322.094 13.4834 44.1509 -73.7174 -51.789 PRESSAVG: 955400 27.7347 42.5453 -10.4376 42.5453 -6.21234 -69.3052 -10.4376 -69.3051 1.13064 GPRESSAVG: 955400 27.682 43.2125 -8.94943 43.9233 -5.81489 -69.7389 -7.52961 -67.6784 -0.0126151 TIMING: 955400 CPU: 2978.55, 0.00311641/step Wall: 2978.55, 0.00311641/step, 3.50129 hours remaining, 235.011719 MB of memory in use. ENERGY: 955400 3904.2040 20446.8216 14435.0000 252.9156 -203379.1956 3031.2355 0.0000 0.0000 52180.2410 -109128.7780 299.8806 -161309.0190 -108767.3374 298.9319 199.8106 228.2062 763028.4968 7.5510 7.2848 PRESSURE: 955600 302.552 385.463 -104.858 385.464 71.4719 -137.182 -104.859 -137.183 142.319 GPRESSURE: 955600 301.242 241.708 -158.852 313.009 104.273 -111.316 -177.052 3.12993 192.769 PRESSAVG: 955600 58.9939 47.9655 50.6529 47.9655 0.197547 -6.64946 50.653 -6.64942 21.0196 GPRESSAVG: 955600 58.9929 48.7427 51.0343 47.5208 -0.0902076 -5.50428 48.8576 -7.24191 20.8093 TIMING: 955600 CPU: 2979.17, 0.00312422/step Wall: 2979.17, 0.00312422/step, 3.50988 hours remaining, 235.011719 MB of memory in use. ENERGY: 955600 3971.0528 20493.6443 14410.4162 247.8123 -203672.9283 3060.1990 0.0000 0.0000 52104.5636 -109385.2401 299.4456 -161489.8037 -109024.7234 299.1553 172.1141 199.4283 762357.0552 26.7370 26.5706 PRESSURE: 955800 -176.306 121.052 -81.6509 121.052 61.2562 -11.9052 -81.6506 -11.9057 175.935 GPRESSURE: 955800 -32.6613 86.697 -57.8269 78.4889 84.2067 23.0422 -73.0119 -68.3953 100.928 PRESSAVG: 955800 1.86148 47.5753 -13.8803 47.5753 9.87535 -40.1816 -13.8802 -40.1816 -7.31818 GPRESSAVG: 955800 2.62786 47.1037 -14.7518 44.5173 8.42735 -42.0468 -14.0444 -39.8072 -6.92374 TIMING: 955800 CPU: 2979.8, 0.00313822/step Wall: 2979.8, 0.00313822/step, 3.52544 hours remaining, 235.011719 MB of memory in use. ENERGY: 955800 4001.0007 20497.3141 14491.2255 250.4106 -203301.4167 2860.2865 0.0000 0.0000 51957.3223 -109243.8570 298.5994 -161201.1793 -108875.1666 298.9651 20.2952 50.8244 762880.2372 1.4729 1.3772 PRESSURE: 956000 194.819 -22.2057 -137.043 -22.2059 219.504 -12.5576 -137.043 -12.5573 -432.388 GPRESSURE: 956000 79.5895 -48.7529 -199.885 1.20932 390.665 77.3842 -156.256 86.8647 -398.323 PRESSAVG: 956000 -16.5588 37.9412 19.552 37.9412 21.0341 -43.8809 19.5519 -43.8809 6.60603 GPRESSAVG: 956000 -18.4332 37.3857 20.9019 40.7627 21.9254 -43.7453 20.8505 -44.2426 7.28523 TIMING: 956000 CPU: 2980.43, 0.00318049/step Wall: 2980.43, 0.00318049/step, 3.57276 hours remaining, 235.011719 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: 956000 4007.9318 20365.5903 14445.0622 276.6572 -203367.3014 2938.1542 0.0000 0.0000 52249.9052 -109084.0004 300.2809 -161333.9057 -108720.0729 299.1259 -6.0218 23.9772 765228.7206 3.6938 3.5925 PRESSURE: 956200 -82.7543 -110.437 -54.3794 -110.437 -198.373 -231.074 -54.3786 -231.074 -47.3516 GPRESSURE: 956200 -33.588 -109.122 -41.4842 -73.2706 -201.505 -174.194 -76.2078 -271.132 -17.3011 PRESSAVG: 956200 19.6463 -30.4311 20.8184 -30.4311 -90.3128 -35.8452 20.8184 -35.8452 25.629 GPRESSAVG: 956200 20.5176 -27.7861 19.9018 -31.3865 -90.4538 -34.7888 20.2523 -35.31 24.6936 TIMING: 956200 CPU: 2981.07, 0.00316334/step Wall: 2981.07, 0.00316334/step, 3.55331 hours remaining, 235.011719 MB of memory in use. ENERGY: 956200 3961.1060 20601.2001 14462.7696 251.9991 -203355.1764 2843.1922 0.0000 0.0000 51919.3394 -109315.5700 298.3812 -161234.9094 -108959.2673 299.1371 -109.4930 -84.1312 763175.2752 -15.0125 -15.0809 LDB: ============= START OF LOAD BALANCING ============== 2993.55 LDB: ============== END OF LOAD BALANCING =============== 2993.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2993.55 LDB: ============= START OF LOAD BALANCING ============== 2993.86 LDB: Largest compute 6977 load 0.029631 is 15.2% of average load 0.195087 LDB: Average compute 0.004385 is 2.2% of average load 0.195087 LDB: TIME 2993.86 LOAD: AVG 0.195087 MAX 0.21517 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.242 MB LDB: TIME 2993.87 LOAD: AVG 0.195087 MAX 0.21517 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.242 MB LDB: TIME 2993.87 LOAD: AVG 0.195087 MAX 0.21517 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.242 MB LDB: ============== END OF LOAD BALANCING =============== 2993.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2993.87 PRESSURE: 956400 -216.615 -57.1482 -171.573 -57.1483 -288.208 -52.91 -171.571 -52.9104 -317.908 GPRESSURE: 956400 -224.725 -56.7892 -169.624 24.2462 -229.939 -59.6544 -68.4155 -12.9458 -272.223 PRESSAVG: 956400 41.7567 -6.95225 43.4166 -6.95226 -15.4497 -20.9882 43.4166 -20.9882 18.2914 GPRESSAVG: 956400 42.2646 -6.88691 42.6002 -6.95671 -15.6974 -20.9542 45.6324 -21.6777 17.9914 TIMING: 956400 CPU: 2981.71, 0.00319895/step Wall: 2981.71, 0.00319895/step, 3.59314 hours remaining, 234.312500 MB of memory in use. ENERGY: 956400 4047.6087 20413.9558 14505.9632 276.0909 -202842.7078 2581.6767 0.0000 0.0000 51940.0656 -109077.3469 298.5003 -161017.4125 -108711.9971 299.4809 -274.2438 -242.2959 764229.4934 14.8661 14.8529 PRESSURE: 956600 -151.834 1.1173 -150.404 1.11743 -372.299 57.7638 -150.403 57.7625 -149.499 GPRESSURE: 956600 -186.698 -114.731 -94.0802 99.9123 -272.757 76.3919 -319.385 10.5814 -145.443 PRESSAVG: 956600 26.6586 42.4179 17.2353 42.4179 -1.86656 14.3093 17.2353 14.3094 31.2087 GPRESSAVG: 956600 26.3544 40.3901 18.7905 43.8197 -1.92723 15.2792 12.3317 13.1133 31.4164 TIMING: 956600 CPU: 2982.33, 0.00313126/step Wall: 2982.33, 0.00313126/step, 3.51693 hours remaining, 234.515625 MB of memory in use. ENERGY: 956600 4022.2623 20455.6259 14396.3750 247.5553 -203317.2095 2776.2996 0.0000 0.0000 52367.3580 -109051.7334 300.9559 -161419.0914 -108668.1160 299.5413 -224.5440 -201.6329 764527.6592 18.6669 18.6145 PRESSURE: 956800 -345.378 384.403 -275.638 384.403 -361.165 226.816 -275.637 226.816 20.3669 GPRESSURE: 956800 -274.652 333.764 -202.797 311.252 -280.591 286.518 -43.0341 252.97 -77.8267 PRESSAVG: 956800 57.768 30.183 -7.01021 30.183 -51.5182 31.8813 -7.01016 31.8813 -16.4886 GPRESSAVG: 956800 55.9898 29.5777 -6.61595 28.8916 -50.9828 30.8099 -6.03019 33.9054 -15.4674 TIMING: 956800 CPU: 2982.96, 0.00313127/step Wall: 2982.96, 0.00313127/step, 3.51676 hours remaining, 234.515625 MB of memory in use. ENERGY: 956800 3990.0038 20678.4089 14418.8631 254.4963 -203091.6113 2663.2516 0.0000 0.0000 52158.6657 -108927.9218 299.7566 -161086.5876 -108555.3311 299.7439 -228.7255 -211.0233 763760.2580 -3.4129 -3.4868 PRESSURE: 957000 113.211 184.679 93.4933 184.679 -645.903 50.9264 93.4939 50.9245 109.518 GPRESSURE: 957000 10.514 199.486 58.3134 73.8186 -468.06 8.6834 -3.45978 12.4009 119.13 PRESSAVG: 957000 -23.8953 42.1045 43.7273 42.1045 -19.4166 -28.9288 43.7273 -28.9289 -16.1616 GPRESSAVG: 957000 -23.663 41.9225 41.537 43.7131 -19.6617 -30.1867 47.2854 -26.5225 -15.9677 TIMING: 957000 CPU: 2983.58, 0.00311996/step Wall: 2983.58, 0.00311996/step, 3.50389 hours remaining, 234.515625 MB of memory in use. ENERGY: 957000 3992.1963 20505.3211 14462.7367 256.4457 -203329.7980 2856.7849 0.0000 0.0000 52092.9179 -109163.3953 299.3787 -161256.3133 -108799.2661 299.2964 -141.0580 -112.8052 764939.3410 -19.8245 -19.7641 PRESSURE: 957200 279.179 239.902 -239.485 239.901 29.3395 -20.4642 -239.485 -20.4638 250.336 GPRESSURE: 957200 248.929 168.867 -212.087 314.68 43.1422 6.98445 -252.066 2.54698 351.886 PRESSAVG: 957200 6.97794 20.7018 33.9517 20.7018 2.02879 -15.0742 33.9517 -15.0742 -1.89083 GPRESSAVG: 957200 5.86213 21.4544 35.0896 19.6995 3.42772 -14.928 31.9415 -16.541 -2.16389 TIMING: 957200 CPU: 2984.21, 0.00313159/step Wall: 2984.21, 0.00313159/step, 3.51677 hours remaining, 234.515625 MB of memory in use. ENERGY: 957200 3967.5100 20601.1401 14449.1959 267.9537 -203271.4935 2901.4355 0.0000 0.0000 51900.7979 -109183.4606 298.2746 -161084.2585 -108827.6290 298.8210 186.2848 214.6523 763694.9999 2.3720 2.3753 PRESSURE: 957400 -129.938 -20.9901 85.0282 -20.9895 -203.081 53.0607 85.0282 53.0613 -143.914 GPRESSURE: 957400 -65.0054 8.68696 -4.71981 -70.6087 -247.477 65.6661 30.7826 137.416 -66.6506 PRESSAVG: 957400 -21.2927 55.7484 23.9346 55.7485 24.3652 -8.19439 23.9346 -8.19437 28.8665 GPRESSAVG: 957400 -19.8814 54.7842 24.1636 56.4795 22.5601 -7.9452 23.3274 -9.62611 29.8672 TIMING: 957400 CPU: 2984.83, 0.00310917/step Wall: 2984.83, 0.00310917/step, 3.49143 hours remaining, 234.515625 MB of memory in use. ENERGY: 957400 4066.8150 20601.2954 14492.3563 235.3868 -202972.1879 2877.0914 0.0000 0.0000 51812.9049 -108886.3381 297.7695 -160699.2430 -108532.1233 299.3276 -158.9779 -126.3777 765004.0190 10.6463 10.8486 PRESSURE: 957600 -83.3102 -273.171 -25.4437 -273.171 -94.8891 -80.0894 -25.4441 -80.0885 -141.016 GPRESSURE: 957600 -38.2376 -291.208 69.8964 -243.796 -104.146 -105.412 -63.4701 -91.4306 -88.1212 PRESSAVG: 957600 70.1818 49.6598 41.9931 49.6598 -94.3847 61.9483 41.9932 61.9483 17.817 GPRESSAVG: 957600 70.2336 49.7451 41.0847 47.1053 -93.8469 62.7683 43.3724 63.1433 17.0247 TIMING: 957600 CPU: 2985.46, 0.00313194/step Wall: 2985.46, 0.00313194/step, 3.51682 hours remaining, 234.515625 MB of memory in use. ENERGY: 957600 4036.1995 20553.4594 14486.7679 239.3800 -202799.8123 2436.6056 0.0000 0.0000 52303.2149 -108744.1850 300.5873 -161047.3999 -108381.2336 299.4108 -106.4052 -76.8348 761788.2334 -2.1286 -2.1962 PRESSURE: 957800 54.3578 293.818 145.583 293.818 -101.501 112.137 145.583 112.138 115.968 GPRESSURE: 957800 113.657 264.595 68.9859 355.255 -122.74 183.467 174.638 0.304491 151.852 PRESSAVG: 957800 53.4635 7.93123 18.5397 7.93133 5.09965 -12.6591 18.5397 -12.6591 -27.1487 GPRESSAVG: 957800 53.6187 7.68072 19.954 9.48455 4.13062 -13.3129 18.355 -14.5094 -26.7179 TIMING: 957800 CPU: 2986.09, 0.00315024/step Wall: 2986.09, 0.00315024/step, 3.5372 hours remaining, 234.515625 MB of memory in use. ENERGY: 957800 3931.9932 20668.2644 14363.3073 252.2005 -202599.8444 2570.0326 0.0000 0.0000 51938.1432 -108875.9033 298.4892 -160814.0464 -108519.8186 299.5902 22.9415 47.5896 763328.3075 10.4715 10.3438 PRESSURE: 958000 -25.5397 -37.9828 -56.809 -37.9831 86.2263 -34.8162 -56.8082 -34.8168 -39.7788 GPRESSURE: 958000 -56.6348 -152.666 -16.8449 -65.7131 194.718 -143.972 86.0843 55.4926 -32.873 PRESSAVG: 958000 29.8312 -10.6317 40.7072 -10.6318 -17.0817 18.3863 40.7071 18.3862 22.1952 GPRESSAVG: 958000 30.3013 -10.4927 40.6887 -10.5863 -16.9155 18.7927 41.0413 20.2952 21.3147 TIMING: 958000 CPU: 2986.72, 0.00315142/step Wall: 2986.72, 0.00315142/step, 3.53834 hours remaining, 234.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 958000 3942.6390 20625.9391 14461.3898 227.7724 -203130.1886 2733.3283 0.0000 0.0000 52315.7943 -108823.3257 300.6596 -161139.1199 -108459.7557 299.6189 6.9693 35.0700 763702.6776 11.6482 11.5668 PRESSURE: 958200 267.552 -250.509 206.142 -250.51 -329.31 -77.0074 206.142 -77.0066 -55.8344 GPRESSURE: 958200 273.634 -333.697 225.707 -312.469 -285.398 -82.5027 109.353 -4.49297 -12.0843 PRESSAVG: 958200 39.8593 -9.78187 51.6693 -9.78184 -54.633 -42.9022 51.6693 -42.9023 -10.5296 GPRESSAVG: 958200 39.0992 -10.3325 51.1782 -10.9369 -54.15 -43.7639 50.0613 -42.9886 -10.594 TIMING: 958200 CPU: 2987.35, 0.00316401/step Wall: 2987.35, 0.00316401/step, 3.5523 hours remaining, 234.515625 MB of memory in use. ENERGY: 958200 4030.4204 20506.5792 14414.1443 257.6727 -203300.7134 2867.8499 0.0000 0.0000 52159.1978 -109064.8491 299.7596 -161224.0470 -108705.5959 299.6851 -39.1975 -7.9492 762727.2489 -8.4344 -8.5483 PRESSURE: 958400 16.5525 169.298 17.1122 169.299 129.959 86.8713 17.112 86.8701 208.84 GPRESSURE: 958400 95.7094 55.002 -9.43878 122.323 167.787 73.2012 20.689 74.4248 162.459 PRESSAVG: 958400 63.0631 0.375895 -19.3646 0.37587 -22.6993 -27.0434 -19.3646 -27.0434 16.2215 GPRESSAVG: 958400 63.0753 -0.832486 -19.9784 1.49837 -22.5258 -26.8268 -16.6438 -25.9347 16.008 TIMING: 958400 CPU: 2987.98, 0.00314963/step Wall: 2987.98, 0.00314963/step, 3.53599 hours remaining, 234.515625 MB of memory in use. ENERGY: 958400 3917.2228 20585.2687 14424.9334 239.7192 -203572.0567 2913.7402 0.0000 0.0000 52141.4605 -109349.7119 299.6577 -161491.1723 -109001.1466 298.8770 118.4505 141.9851 762996.3638 18.8618 18.8525 PRESSURE: 958600 -174.548 -42.7795 -36.2053 -42.7799 -26.665 157.61 -36.2065 157.609 -312.988 GPRESSURE: 958600 -87.2632 4.11054 -7.7801 -93.7104 -67.9123 120.457 -42.4743 87.3491 -249.385 PRESSAVG: 958600 29.7867 33.9412 -12.2804 33.9413 -76.1436 -21.2275 -12.2805 -21.2275 0.821662 GPRESSAVG: 958600 28.79 36.4092 -12.4714 33.0187 -74.7536 -19.4391 -13.0751 -24.5801 -0.0302779 TIMING: 958600 CPU: 2988.61, 0.00316384/step Wall: 2988.61, 0.00316384/step, 3.55177 hours remaining, 234.515625 MB of memory in use. ENERGY: 958600 3953.4896 20418.8210 14442.0448 236.1942 -203666.1381 3035.7379 0.0000 0.0000 52021.8400 -109558.0105 298.9702 -161579.8505 -109209.1528 298.4659 -171.4005 -134.8535 763843.8512 -15.1784 -15.3313 PRESSURE: 958800 54.4802 91.2312 131.951 91.2309 69.8222 -278.317 131.951 -278.317 40.4653 GPRESSURE: 958800 107.278 -73.474 63.8675 102.526 21.28 -179.691 40.6139 -334.145 119.449 PRESSAVG: 958800 20.7912 5.07891 8.18727 5.07889 -8.36123 -54.1781 8.18729 -54.1782 -28.1064 GPRESSAVG: 958800 19.9522 5.20319 7.61512 7.3385 -9.7603 -56.2806 8.44001 -52.1528 -25.525 TIMING: 958800 CPU: 2989.25, 0.00316859/step Wall: 2989.25, 0.00316859/step, 3.55691 hours remaining, 234.515625 MB of memory in use. ENERGY: 958800 3975.0936 20548.9904 14423.5147 240.2519 -203888.2895 3158.7452 0.0000 0.0000 51973.0634 -109568.6301 298.6899 -161541.6936 -109210.9775 298.3923 54.9226 82.6690 762735.2472 -5.2255 -5.1110 PRESSURE: 959000 -127.316 187.205 -66.876 187.204 -144.305 102.672 -66.8756 102.672 -488.753 GPRESSURE: 959000 -64.8216 146.804 -16.7296 98.9318 -94.6184 191.253 -25.0242 93.8786 -508.869 PRESSAVG: 959000 -8.93358 69.7399 7.07439 69.7399 29.6373 -48.9299 7.07434 -48.9299 -8.32639 GPRESSAVG: 959000 -7.78667 68.2308 9.21357 69.7345 29.6887 -48.7659 4.82432 -49.8434 -9.83428 TIMING: 959000 CPU: 2989.87, 0.00313541/step Wall: 2989.87, 0.00313541/step, 3.5195 hours remaining, 234.515625 MB of memory in use. ENERGY: 959000 3961.4682 20337.1199 14435.8807 232.8092 -203280.9763 2819.1784 0.0000 0.0000 51985.2639 -109509.2561 298.7600 -161494.5201 -109143.9159 298.2508 -253.4582 -222.7697 764784.8442 4.1258 4.0226 PRESSURE: 959200 -45.3322 233.139 113.13 233.139 -261.618 207.085 113.129 207.085 -118.107 GPRESSURE: 959200 -58.1937 253.063 73.5111 157.954 -298.462 244.735 40.8893 296.34 -9.71198 PRESSAVG: 959200 34.1342 29.2391 -11.4937 29.2392 -83.5062 -39.9282 -11.4937 -39.9283 -10.6303 GPRESSAVG: 959200 33.9484 29.057 -12.6806 26.6349 -83.0626 -39.9589 -9.97166 -40.4255 -10.8437 TIMING: 959200 CPU: 2990.5, 0.00312756/step Wall: 2990.5, 0.00312756/step, 3.51052 hours remaining, 234.515625 MB of memory in use. ENERGY: 959200 3952.9090 20605.3928 14462.4740 228.9410 -203302.6158 2855.5451 0.0000 0.0000 51899.2868 -109298.0671 298.2659 -161197.3539 -108934.2595 298.7061 -141.6859 -122.1225 764320.6610 -20.0008 -19.9859 PRESSURE: 959400 89.378 -1.6566 -113.681 -1.65615 -349.766 -188.406 -113.68 -188.406 376.937 GPRESSURE: 959400 120.597 -10.3397 -53.5578 115.614 -298.561 -171.778 -46.1823 -220.261 374.261 PRESSAVG: 959400 64.3302 41.5101 22.9153 41.5102 1.46738 -49.5944 22.9153 -49.5944 25.758 GPRESSAVG: 959400 65.0414 45.4058 22.5501 41.7032 0.894428 -49.5823 22.2577 -48.9288 25.8189 TIMING: 959400 CPU: 2991.12, 0.00312375/step Wall: 2991.12, 0.00312375/step, 3.50607 hours remaining, 234.515625 MB of memory in use. ENERGY: 959400 3959.1753 20617.1751 14408.4827 245.9150 -203395.3775 2759.0808 0.0000 0.0000 52123.8589 -109281.6898 299.5565 -161405.5487 -108927.2673 298.8205 38.8496 65.4325 762123.3628 30.5185 30.5849 PRESSURE: 959600 -34.7296 283.822 -38.9823 283.821 173.347 -177.768 -38.9818 -177.768 -144.856 GPRESSURE: 959600 14.7957 143.182 -119.308 172.219 203.767 -282.969 -6.27608 -143.555 -129.308 PRESSAVG: 959600 15.0302 54.9465 -12.1365 54.9465 -58.4422 -12.6431 -12.1365 -12.6431 -0.760774 GPRESSAVG: 959600 16.0935 52.9292 -11.4097 55.1326 -59.911 -10.2052 -13.4285 -13.2717 -0.634244 TIMING: 959600 CPU: 2991.75, 0.00313719/step Wall: 2991.75, 0.00313719/step, 3.52098 hours remaining, 234.515625 MB of memory in use. ENERGY: 959600 4066.4529 20517.2267 14452.5044 263.1711 -203158.0642 2616.1394 0.0000 0.0000 51928.2702 -109314.2995 298.4325 -161242.5697 -108959.0765 298.7569 -2.0796 29.7514 763570.9066 -14.7242 -14.8172 PRESSURE: 959800 63.4398 -136.4 124.304 -136.4 60.3091 -108.939 124.305 -108.94 45.4688 GPRESSURE: 959800 66.8766 -5.00188 36.7231 -128.363 31.5187 -64.1748 167.98 -175.516 146.973 PRESSAVG: 959800 78.4785 28.4726 -12.8944 28.4726 -102.815 -62.6945 -12.8943 -62.6945 1.00778 GPRESSAVG: 959800 77.4531 26.6003 -14.7611 29.2276 -101.882 -63.8126 -9.84996 -60.9487 1.71697 TIMING: 959800 CPU: 2992.39, 0.00317075/step Wall: 2992.39, 0.00317075/step, 3.55846 hours remaining, 234.515625 MB of memory in use. ENERGY: 959800 3997.5095 20476.6263 14448.0181 254.5669 -203182.0817 2732.4234 0.0000 0.0000 51914.0904 -109358.8472 298.3510 -161272.9375 -108993.1528 298.7435 56.4059 81.7894 762426.0718 -7.7762 -7.5707 PRESSURE: 960000 180.159 36.3839 -0.294452 36.384 29.9687 -260.929 -0.294696 -260.929 34.02 GPRESSURE: 960000 199.639 -33.9776 89.8057 81.5626 98.3165 -309.629 140.002 -36.4447 10.0933 PRESSAVG: 960000 19.2329 -12.5651 20.209 -12.5651 -20.2064 -5.96762 20.209 -5.96767 -4.03484 GPRESSAVG: 960000 17.7103 -11.3416 23.3709 -13.1074 -19.7188 -6.31406 18.6267 -5.08926 -3.52597 TIMING: 960000 CPU: 2993.01, 0.00313457/step Wall: 2993.01, 0.00313457/step, 3.51768 hours remaining, 234.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 960000 3994.4326 20673.1237 14434.3728 225.5146 -203304.5071 2873.6736 0.0000 0.0000 51748.3098 -109355.0799 297.3982 -161103.3897 -109000.4076 298.6378 81.3827 102.6830 762770.0435 -1.6695 -1.8448 PRESSURE: 960200 294.441 30.7816 30.9088 30.7819 274.157 -57.8431 30.909 -57.8423 -41.6321 GPRESSURE: 960200 413.507 6.58503 -18.0884 38.1369 318.98 -102.907 96.7405 -27.4628 -117.452 PRESSAVG: 960200 64.3236 -25.3382 49.5755 -25.3381 -33.1647 -15.6119 49.5756 -15.6119 5.0428 GPRESSAVG: 960200 66.201 -25.5972 47.7113 -24.5204 -34.0455 -15.9521 50.0137 -16.7388 3.784 TIMING: 960200 CPU: 2993.64, 0.00311853/step Wall: 2993.64, 0.00311852/step, 3.4995 hours remaining, 234.515625 MB of memory in use. ENERGY: 960200 4010.0408 20373.4741 14405.4789 259.3501 -203333.8632 2782.9496 0.0000 0.0000 52207.2419 -109295.3277 300.0357 -161502.5696 -108927.9153 298.8166 175.6553 205.0115 760294.0868 12.0672 11.9798 LDB: ============= START OF LOAD BALANCING ============== 3006.11 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3006.12 LDB: =============== DONE WITH MIGRATION ================ 3006.12 LDB: ============= START OF LOAD BALANCING ============== 3006.43 LDB: Largest compute 7006 load 0.030194 is 15.5% of average load 0.195219 LDB: Average compute 0.004367 is 2.2% of average load 0.195219 LDB: TIME 3006.43 LOAD: AVG 0.195219 MAX 0.215163 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.023 MB LDB: TIME 3006.43 LOAD: AVG 0.195219 MAX 0.215163 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.023 MB LDB: TIME 3006.43 LOAD: AVG 0.195219 MAX 0.215163 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.023 MB LDB: ============== END OF LOAD BALANCING =============== 3006.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3006.44 PRESSURE: 960400 -257.576 6.60189 0.499116 6.60236 -78.6695 -17.7283 0.498705 -17.7274 -53.7862 GPRESSURE: 960400 -219.662 -10.8066 -29.8478 28.0076 -75.008 -4.70301 10.9393 24.8179 -6.20967 PRESSAVG: 960400 13.7095 -19.6384 3.68757 -19.6383 -1.10267 -4.70183 3.68759 -4.70187 -10.3957 GPRESSAVG: 960400 12.9771 -18.2136 5.26831 -20.2882 -0.372611 -5.29145 2.4705 -2.93365 -10.3301 TIMING: 960400 CPU: 2994.27, 0.00319125/step Wall: 2994.27, 0.00319125/step, 3.58094 hours remaining, 235.523438 MB of memory in use. ENERGY: 960400 3947.1033 20544.0079 14375.6115 247.8374 -203080.5734 2622.2017 0.0000 0.0000 52091.7719 -109252.0397 299.3721 -161343.8116 -108899.5630 298.5782 -130.0106 -100.2931 762201.5317 0.7370 0.7581 PRESSURE: 960600 -121.632 23.8493 -7.2143 23.849 31.9988 63.6043 -7.2149 63.6044 -294.146 GPRESSURE: 960600 -92.6975 -77.7447 -90.6734 45.1321 77.0677 -44.5994 -71.1737 40.1818 -276.095 PRESSAVG: 960600 26.4673 -62.5619 -22.2573 -62.562 -28.3765 -18.2861 -22.2573 -18.2861 -8.68403 GPRESSAVG: 960600 26.9979 -64.5431 -22.6708 -61.1929 -29.2245 -16.7265 -22.2976 -19.0677 -8.31221 TIMING: 960600 CPU: 2994.9, 0.00311299/step Wall: 2994.9, 0.00311299/step, 3.49295 hours remaining, 235.726562 MB of memory in use. ENERGY: 960600 4056.3821 20555.9562 14395.7219 250.9864 -203297.5601 2817.1706 0.0000 0.0000 51919.6802 -109301.6626 298.3831 -161221.3428 -108945.4874 298.7955 -127.9262 -97.2418 764282.5359 -3.5311 -3.5129 PRESSURE: 960800 -112.695 -71.5926 -239.065 -71.5932 54.2524 94.9191 -239.065 94.9197 -501.973 GPRESSURE: 960800 -70.2129 -50.5356 -310.894 -114.903 32.5936 148.856 -193.352 2.5366 -439.668 PRESSAVG: 960800 -17.2331 -14.214 -12.6931 -14.2139 13.426 -22.2042 -12.6931 -22.2043 7.68492 GPRESSAVG: 960800 -17.1474 -12.8374 -14.5484 -16.4863 13.7146 -23.7 -8.75199 -22.8593 7.11922 TIMING: 960800 CPU: 2995.52, 0.0031264/step Wall: 2995.52, 0.0031264/step, 3.50782 hours remaining, 235.726562 MB of memory in use. ENERGY: 960800 3988.8603 20475.7166 14372.6610 254.2526 -203413.8316 2950.2822 0.0000 0.0000 51942.0448 -109430.0141 298.5116 -161372.0589 -109072.8776 299.2287 -186.8051 -159.0957 763001.9727 1.2926 1.2288 PRESSURE: 961000 -266.969 -140.57 -33.2824 -140.569 -100.163 -17.9456 -33.282 -17.9459 -134.871 GPRESSURE: 961000 -274.138 -51.1825 -28.7178 -30.2409 -50.3038 -124.253 -44.6576 -123.601 -91.6199 PRESSAVG: 961000 46.1061 -7.69527 15.4312 -7.69525 -34.2169 -78.2077 15.4313 -78.2077 -2.10358 GPRESSAVG: 961000 46.4783 -7.33666 17.3842 -7.38929 -34.4442 -78.3515 11.9575 -79.8593 -1.25817 TIMING: 961000 CPU: 2996.15, 0.00312441/step Wall: 2996.15, 0.00312441/step, 3.50541 hours remaining, 235.726562 MB of memory in use. ENERGY: 961000 3934.6964 20353.1309 14427.9127 227.5132 -202959.7399 2625.4576 0.0000 0.0000 52066.8153 -109324.2138 299.2287 -161391.0291 -108955.2867 298.4211 -167.3345 -138.6872 763968.1625 3.2619 3.5920 PRESSURE: 961200 -304.984 123.219 -31.9208 123.218 -103.002 -220.205 -31.921 -220.205 -271.676 GPRESSURE: 961200 -239.363 11.9334 -61.2127 135.721 -79.1313 -126.092 -110.092 -86.2936 -288.931 PRESSAVG: 961200 57.3142 13.5523 -12.1433 13.5522 -47.1187 -57.233 -12.1432 -57.233 12.5353 GPRESSAVG: 961200 57.0584 14.049 -13.7468 13.5369 -45.8918 -56.2768 -11.8401 -56.1663 12.1013 TIMING: 961200 CPU: 2996.78, 0.00314171/step Wall: 2996.78, 0.00314171/step, 3.52465 hours remaining, 235.726562 MB of memory in use. ENERGY: 961200 4061.7612 20576.5479 14386.5907 245.5234 -203399.6604 2716.1307 0.0000 0.0000 52140.0142 -109273.0923 299.6494 -161413.1064 -108908.8511 298.9447 -226.5540 -202.4750 761898.9625 7.5769 7.7559 PRESSURE: 961400 13.1814 109.861 -44.5863 109.861 -253.262 86.0777 -44.5861 86.0781 -65.2145 GPRESSURE: 961400 -75.382 191.537 25.7405 60.6864 -170.585 78.4436 -68.7647 13.5047 13.1873 PRESSAVG: 961400 2.62405 -5.84285 18.4613 -5.84285 -43.5148 -24.2089 18.4614 -24.2089 2.88047 GPRESSAVG: 961400 2.38986 -5.76849 20.0838 -6.20475 -42.9786 -24.4959 18.9766 -24.1325 2.31061 TIMING: 961400 CPU: 2997.4, 0.00313571/step Wall: 2997.4, 0.00313571/step, 3.51774 hours remaining, 235.726562 MB of memory in use. ENERGY: 961400 3988.6693 20709.5309 14382.1724 255.0296 -202727.6586 2483.0476 0.0000 0.0000 51822.4555 -109086.7533 297.8244 -160909.2088 -108729.2273 299.3346 -101.7651 -77.5932 763345.7128 -12.6701 -12.7594 PRESSURE: 961600 -138.978 231.122 107.965 231.123 -89.2488 60.2171 107.964 60.2172 -43.0573 GPRESSURE: 961600 -135.358 243.201 183.086 325.284 1.11395 37.7575 49.993 -37.3891 -60.5269 PRESSAVG: 961600 24.9476 -37.945 16.77 -37.945 -62.1936 -59.3962 16.77 -59.3961 -10.4768 GPRESSAVG: 961600 26.0424 -39.3681 16.9736 -38.9972 -63.5609 -59.8804 15.7792 -59.6687 -10.2045 TIMING: 961600 CPU: 2998.02, 0.00310608/step Wall: 2998.02, 0.00310608/step, 3.48433 hours remaining, 235.726562 MB of memory in use. ENERGY: 961600 3981.2543 20552.0393 14430.7919 243.2166 -203358.5036 2901.5901 0.0000 0.0000 52119.8007 -109129.8106 299.5332 -161249.6113 -108771.3772 299.2945 -90.4279 -64.9236 763193.0881 -15.9076 -15.9077 PRESSURE: 961800 52.0171 21.8883 -50.5447 21.8881 103.142 -87.7803 -50.5445 -87.7808 459.947 GPRESSURE: 961800 120.335 -3.16543 -84.1883 58.3458 111.033 87.1306 -85.6412 -141.971 474.586 PRESSAVG: 961800 27.59 40.3652 69.8174 40.3652 -21.0598 -4.29071 69.8174 -4.29081 0.498953 GPRESSAVG: 961800 26.1728 40.7611 70.3078 41.2767 -19.9815 -3.06995 69.2639 -3.69803 0.676781 TIMING: 961800 CPU: 2998.65, 0.00313309/step Wall: 2998.65, 0.00313309/step, 3.51446 hours remaining, 235.726562 MB of memory in use. ENERGY: 961800 4035.3361 20611.2045 14354.0243 246.9580 -203958.5498 3257.5371 0.0000 0.0000 52085.7095 -109367.7803 299.3373 -161453.4898 -108998.2124 298.8936 205.0356 235.3180 761926.0905 2.3431 2.2893 PRESSURE: 962000 -17.9216 313.494 278.314 313.494 -230.848 -187.424 278.314 -187.424 -208.477 GPRESSURE: 962000 14.1665 262.957 335.559 319.075 -137.747 -156.591 143.784 -167.694 -246.138 PRESSAVG: 962000 13.2949 30.0652 -28.5334 30.0653 5.86958 -1.74967 -28.5334 -1.74959 -4.30752 GPRESSAVG: 962000 14.3702 32.0344 -29.4847 28.0034 4.52927 -3.08776 -26.6211 -2.6391 -4.50806 TIMING: 962000 CPU: 2999.28, 0.00315832/step Wall: 2999.28, 0.00315832/step, 3.54258 hours remaining, 235.726562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 962000 3931.1397 20407.6868 14419.0587 241.2681 -202930.8088 2615.7671 0.0000 0.0000 51888.7690 -109427.1194 298.2055 -161315.8883 -109063.5662 298.6976 -152.4154 -123.2394 763403.1235 4.9523 4.7971 PRESSURE: 962200 502.394 -71.2546 -153.786 -71.2549 100.782 26.4241 -153.785 26.424 31.9755 GPRESSURE: 962200 536.009 -141.923 -160.585 -220.329 101.062 69.4146 -149.809 89.2724 69.433 PRESSAVG: 962200 14.0425 16.5017 -9.83947 16.5017 -18.6999 -32.6934 -9.83942 -32.6934 4.79117 GPRESSAVG: 962200 12.1249 13.6364 -9.35605 17.9989 -17.4224 -32.7156 -9.02427 -32.5366 5.18413 TIMING: 962200 CPU: 2999.91, 0.00312833/step Wall: 2999.91, 0.00312833/step, 3.50877 hours remaining, 235.726562 MB of memory in use. ENERGY: 962200 3946.2488 20417.9249 14444.9379 233.8155 -203334.8021 2633.7229 0.0000 0.0000 51981.7114 -109676.4407 298.7396 -161658.1521 -109315.4137 297.4251 211.7172 235.5016 761828.2455 0.0446 -0.0378 PRESSURE: 962400 277.116 102.74 -35.5333 102.74 268.123 -120.903 -35.534 -120.903 40.6903 GPRESSURE: 962400 271.88 221.769 46.9714 198.429 330.11 -202.211 70.7843 -93.4496 57.6598 PRESSAVG: 962400 41.7539 -8.25669 -35.4288 -8.25667 14.3427 -29.0333 -35.4287 -29.0333 -21.634 GPRESSAVG: 962400 42.6467 -7.51816 -35.7376 -6.75757 14.0938 -28.6547 -37.4958 -28.8028 -22.1812 TIMING: 962400 CPU: 3000.53, 0.00313363/step Wall: 3000.53, 0.00313363/step, 3.51454 hours remaining, 235.726562 MB of memory in use. ENERGY: 962400 3974.5439 20531.2883 14396.6442 244.6536 -203853.3309 3329.2523 0.0000 0.0000 51695.2759 -109681.6728 297.0935 -161376.9487 -109313.7784 298.0309 195.3096 219.8832 763071.8580 11.4875 11.5198 PRESSURE: 962600 498.75 -51.2811 104.633 -51.2812 99.9627 92.2222 104.634 92.2226 250.506 GPRESSURE: 962600 463.195 -42.2526 159.892 43.4596 167.129 60.4639 -7.78475 110.08 301.85 PRESSAVG: 962600 59.0014 31.282 -23.5192 31.282 -44.0941 -34.7948 -23.5192 -34.7948 -17.5593 GPRESSAVG: 962600 58.3432 29.444 -22.4442 32.5304 -43.9198 -34.7599 -21.7558 -34.2202 -16.9879 TIMING: 962600 CPU: 3001.16, 0.00314057/step Wall: 3001.16, 0.00314057/step, 3.52215 hours remaining, 235.726562 MB of memory in use. ENERGY: 962600 3952.4643 20321.7826 14416.0044 248.9310 -203764.9697 3125.1179 0.0000 0.0000 51992.5182 -109708.1514 298.8017 -161700.6696 -109343.8556 298.0423 283.0730 310.7244 762518.4214 -0.8840 -0.8548 PRESSURE: 962800 -169.301 -43.6895 -15.8822 -43.69 -57.9285 183.746 -15.8819 183.745 192.175 GPRESSURE: 962800 -122.495 -32.2102 -43.3051 -245.994 -71.7888 135.358 -71.3884 134.325 253.945 PRESSAVG: 962800 30.7277 -14.2289 11.0052 -14.2288 -26.8763 -8.02556 11.0052 -8.0256 -7.05292 GPRESSAVG: 962800 31.9797 -12.8285 8.64646 -17.3682 -27.4188 -8.46659 10.8191 -7.72909 -7.48914 TIMING: 962800 CPU: 3001.79, 0.00312176/step Wall: 3001.79, 0.00312176/step, 3.50088 hours remaining, 235.726562 MB of memory in use. ENERGY: 962800 3999.4458 20411.4526 14370.7667 244.5805 -203491.0701 3045.0108 0.0000 0.0000 51642.7060 -109777.1076 296.7913 -161419.8136 -109413.4562 297.3827 -11.6848 19.8869 762161.8244 -1.0672 -0.9761 PRESSURE: 963000 -31.4388 -104.489 -226.127 -104.489 -204.031 -273.437 -226.128 -273.436 -14.7916 GPRESSURE: 963000 3.35807 -127.385 -229.108 -146.61 -162.013 -252.268 -328.046 -215.76 -18.3784 PRESSAVG: 963000 2.10416 -3.80499 -13.2203 -3.80497 47.6523 3.17897 -13.2203 3.17899 25.7168 GPRESSAVG: 963000 2.79374 -4.15356 -12.6139 -4.72167 47.6475 4.14384 -14.2381 4.99569 25.1483 TIMING: 963000 CPU: 3002.41, 0.00311879/step Wall: 3002.41, 0.00311879/step, 3.49738 hours remaining, 235.726562 MB of memory in use. ENERGY: 963000 4004.5337 20447.3950 14492.7693 249.8209 -203608.0124 2755.9427 0.0000 0.0000 52124.4198 -109533.1309 299.5598 -161657.5507 -109172.2057 298.0892 -83.4204 -59.0110 764125.7626 25.1578 25.1965 PRESSURE: 963200 -276.809 12.7267 -259.621 12.7258 -16.3861 45.8345 -259.621 45.8352 -33.1637 GPRESSURE: 963200 -238.018 14.9909 -196.445 53.8098 -32.6882 107.697 -36.4739 -81.6171 37.3957 PRESSAVG: 963200 -58.0837 -48.5584 23.4237 -48.5583 19.3174 12.2405 23.4236 12.2404 -7.73847 GPRESSAVG: 963200 -58.808 -48.185 24.0191 -48.8122 19.1745 10.2276 24.481 11.0897 -6.69824 TIMING: 963200 CPU: 3003.04, 0.00313798/step Wall: 3003.04, 0.00313798/step, 3.51872 hours remaining, 235.726562 MB of memory in use. ENERGY: 963200 3993.8115 20413.5456 14445.8787 253.3400 -203351.6032 2753.1060 0.0000 0.0000 51970.6513 -109521.2701 298.6760 -161491.9214 -109165.6737 298.3379 -108.7861 -77.7701 764137.7367 -15.5016 -15.4439 PRESSURE: 963400 -302.881 -34.0672 112.393 -34.0675 -236.977 233.472 112.392 233.471 -588.491 GPRESSURE: 963400 -274.084 95.8622 177.059 27.9961 -166.369 230.867 -30.0766 200.421 -613.935 PRESSAVG: 963400 -38.9349 -27.8115 86.1797 -27.8115 -1.11555 28.2324 86.1798 28.2324 12.857 GPRESSAVG: 963400 -38.2573 -27.4691 86.3912 -26.2246 -0.455061 28.8321 84.4119 26.5002 12.0244 TIMING: 963400 CPU: 3003.66, 0.00313147/step Wall: 3003.66, 0.00313147/step, 3.51125 hours remaining, 235.726562 MB of memory in use. ENERGY: 963400 4066.6742 20470.3975 14446.0487 254.7744 -202905.8390 2492.6003 0.0000 0.0000 51788.0370 -109387.3068 297.6266 -161175.3438 -109032.1994 298.1310 -376.1165 -351.4629 764893.8703 -9.0645 -8.8960 PRESSURE: 963600 109.384 17.2515 242.564 17.2522 -67.975 -49.204 242.564 -49.2042 36.6313 GPRESSURE: 963600 152.878 -118.643 264.229 22.7549 31.0614 -33.648 127.503 -102.054 -5.31717 PRESSAVG: 963600 -27.0085 26.7105 37.8838 26.7105 19.2702 19.4499 37.8838 19.4499 16.7817 GPRESSAVG: 963600 -26.0299 27.2124 36.4082 28.1742 19.4222 19.7908 39.1977 20.098 15.9855 TIMING: 963600 CPU: 3004.29, 0.00311546/step Wall: 3004.29, 0.00311546/step, 3.49313 hours remaining, 235.726562 MB of memory in use. ENERGY: 963600 3951.6140 20446.0177 14388.4005 255.1372 -203882.4036 2982.9412 0.0000 0.0000 52219.9623 -109638.3307 300.1088 -161858.2930 -109261.5961 298.7490 26.0133 59.5408 762178.1199 3.0145 3.1260 PRESSURE: 963800 112.577 96.7329 -108.228 96.7335 -324.429 -29.7278 -108.228 -29.7277 -124.275 GPRESSURE: 963800 50.7991 62.0649 -49.3943 130.655 -197.894 -51.5544 -21.7178 -5.18681 -81.1748 PRESSAVG: 963800 49.6609 -36.6637 5.64511 -36.6637 -54.2421 7.55239 5.64508 7.55234 -11.5538 GPRESSAVG: 963800 49.3946 -37.6389 8.10457 -37.467 -54.6814 6.33173 4.31611 8.72827 -10.3995 TIMING: 963800 CPU: 3004.91, 0.00311347/step Wall: 3004.91, 0.00311347/step, 3.49072 hours remaining, 235.726562 MB of memory in use. ENERGY: 963800 3926.6628 20592.6103 14439.7321 251.8035 -203724.0393 2874.4725 0.0000 0.0000 52132.4089 -109506.3492 299.6057 -161638.7581 -109143.1869 298.5636 -112.0426 -76.0901 760450.4941 -5.3783 -5.2288 PRESSURE: 964000 -0.0953748 29.5142 -16.6684 29.5147 -26.0841 -113.819 -16.6686 -113.819 39.946 GPRESSURE: 964000 25.2262 -50.4587 -71.0875 120.145 -37.3094 -79.3495 -89.5789 -183.155 119.718 PRESSAVG: 964000 20.9263 -21.915 -17.6973 -21.9149 -55.387 -1.63422 -17.6973 -1.63415 2.68364 GPRESSAVG: 964000 21.6445 -21.5591 -18.7108 -21.2967 -55.3114 -0.43941 -15.7975 -2.31438 2.54843 TIMING: 964000 CPU: 3005.54, 0.00313015/step Wall: 3005.54, 0.00313015/step, 3.50924 hours remaining, 235.726562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 964000 3994.7604 20559.6294 14453.5610 225.4869 -203597.0622 2894.0492 0.0000 0.0000 51980.0506 -109489.5246 298.7301 -161469.5752 -109129.3781 298.5385 4.5888 35.8781 760645.3262 -10.5924 -10.3728 PRESSURE: 964200 -218.212 159.746 55.1583 159.746 -319.187 -1.37369 55.158 -1.37421 -40.2175 GPRESSURE: 964200 -116.249 125.98 30.2815 174.1 -260.607 46.0833 -83.903 -18.1251 -133.737 PRESSAVG: 964200 40.3033 -2.3276 5.41916 -2.32761 -40.7256 -52.9397 5.41914 -52.9396 18.7444 GPRESSAVG: 964200 40.3822 -1.4556 1.91045 -3.85787 -40.8298 -53.3961 3.49032 -55.7625 18.4392 TIMING: 964200 CPU: 3006.16, 0.00310135/step Wall: 3006.16, 0.00310135/step, 3.47679 hours remaining, 235.726562 MB of memory in use. ENERGY: 964200 3959.1102 20382.5854 14440.0011 262.1330 -202968.5743 2547.6293 0.0000 0.0000 51920.6244 -109456.4908 298.3885 -161377.1152 -109089.1494 298.4576 -192.5385 -170.1974 763322.8090 6.1074 5.9972 LDB: ============= START OF LOAD BALANCING ============== 3018.63 LDB: ============== END OF LOAD BALANCING =============== 3018.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3018.64 LDB: ============= START OF LOAD BALANCING ============== 3018.95 LDB: Largest compute 7059 load 0.029507 is 15.1% of average load 0.195111 LDB: Average compute 0.004387 is 2.2% of average load 0.195111 LDB: TIME 3018.95 LOAD: AVG 0.195111 MAX 0.214038 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.016 MB LDB: TIME 3018.95 LOAD: AVG 0.195111 MAX 0.214038 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.016 MB LDB: TIME 3018.95 LOAD: AVG 0.195111 MAX 0.214038 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.016 MB LDB: ============== END OF LOAD BALANCING =============== 3018.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3018.96 PRESSURE: 964400 -238.812 -49.3438 49.0482 -49.3438 -193.501 -369.895 49.0484 -369.895 62.3921 GPRESSURE: 964400 -237.972 -68.3033 60.9412 -146.798 -138.057 -401.483 188.136 -288.995 81.4737 PRESSAVG: 964400 13.5821 27.5935 24.3816 27.5935 -52.425 -39.1575 24.3816 -39.1574 13.7501 GPRESSAVG: 964400 13.5043 27.1783 29.6358 26.8413 -52.7497 -39.3762 24.3158 -36.9062 13.9955 TIMING: 964400 CPU: 3006.79, 0.00318177/step Wall: 3006.79, 0.00318177/step, 3.56677 hours remaining, 233.742188 MB of memory in use. ENERGY: 964400 4050.4836 20368.8615 14387.8359 246.0356 -203618.0705 2936.6392 0.0000 0.0000 52099.2306 -109528.9842 299.4150 -161628.2147 -109164.0857 298.5606 -123.3068 -98.1850 761050.0996 -8.3643 -8.4166 PRESSURE: 964600 305.489 -99.4061 -85.2651 -99.4062 -226.342 -16.9823 -85.2644 -16.9817 261.009 GPRESSURE: 964600 254.91 -209.321 -93.2329 -125.677 -73.2178 -26.17 -107.363 46.2555 239.001 PRESSAVG: 964600 77.3379 -12.6074 45.044 -12.6074 -38.9482 3.27502 45.044 3.27494 -1.35478 GPRESSAVG: 964600 76.3742 -13.5062 43.1392 -10.7737 -38.7008 4.60028 45.6373 2.16298 -0.139225 TIMING: 964600 CPU: 3007.41, 0.00309235/step Wall: 3007.41, 0.00309235/step, 3.46636 hours remaining, 233.742188 MB of memory in use. ENERGY: 964600 3980.3186 20361.0581 14363.0813 254.1094 -203636.9045 2981.2662 0.0000 0.0000 52220.6165 -109476.4544 300.1126 -161697.0709 -109111.6129 298.4385 113.3852 140.2310 762254.5260 12.3450 12.5114 PRESSURE: 964800 166.631 88.6358 169.917 88.636 269.836 94.8473 169.918 94.8476 62.1011 GPRESSURE: 964800 288.239 127.425 134.032 -8.10038 247.693 86.993 83.1914 130.354 43.7234 PRESSAVG: 964800 19.0095 -13.3365 35.413 -13.3366 -29.8784 11.8099 35.413 11.8099 -0.456954 GPRESSAVG: 964800 19.1867 -11.714 35.0621 -14.0069 -28.7669 11.0365 35.385 14.0617 -1.64331 TIMING: 964800 CPU: 3008.04, 0.0031165/step Wall: 3008.04, 0.0031165/step, 3.49325 hours remaining, 233.742188 MB of memory in use. ENERGY: 964800 4061.0682 20425.6666 14391.1658 241.7482 -203496.6495 2921.5956 0.0000 0.0000 51852.5459 -109602.8591 297.9973 -161455.4050 -109244.2646 298.0763 166.1892 193.2183 761561.7524 -3.7753 -3.7412 PRESSURE: 965000 -19.2242 73.5011 -144.695 73.5012 0.158267 49.402 -144.695 49.4018 340.466 GPRESSURE: 965000 50.3051 122.957 -112.194 42.4883 -15.9942 36.137 -59.1002 -48.661 380.369 PRESSAVG: 965000 -1.43337 29.5152 39.6746 29.5152 -21.8886 -40.0547 39.6746 -40.0548 37.5622 GPRESSAVG: 965000 -1.03866 28.8204 39.2683 30.9624 -22.9072 -40.484 40.8896 -41.1568 38.02 TIMING: 965000 CPU: 3008.66, 0.00313446/step Wall: 3008.66, 0.00313447/step, 3.51321 hours remaining, 233.742188 MB of memory in use. ENERGY: 965000 4019.9091 20559.2884 14393.3641 245.4152 -203718.1987 2852.5352 0.0000 0.0000 52005.9721 -109641.7146 298.8790 -161647.6867 -109277.7741 298.2609 107.1335 138.2266 761638.1557 4.7467 4.6914 PRESSURE: 965200 539.596 -152.033 122.197 -152.033 -52.3112 -7.3646 122.198 -7.36375 -51.5965 GPRESSURE: 965200 565.273 -100.347 181.526 -166.955 13.0413 -25.7773 58.9599 84.6468 -56.6188 PRESSAVG: 965200 6.07389 10.2959 2.91847 10.2958 32.5396 -36.1554 2.91852 -36.1554 -27.361 GPRESSAVG: 965200 5.40519 11.0501 4.57218 9.67819 33.3067 -36.6452 1.59206 -35.8343 -27.9963 TIMING: 965200 CPU: 3009.29, 0.00312646/step Wall: 3009.29, 0.00312646/step, 3.50406 hours remaining, 233.742188 MB of memory in use. ENERGY: 965200 3926.1758 20526.9625 14441.5782 261.6238 -203902.1221 3188.8475 0.0000 0.0000 52025.1295 -109531.8047 298.9891 -161556.9342 -109166.9307 298.5250 145.2293 173.8986 761324.5624 3.7508 3.5719 PRESSURE: 965400 -78.1851 -325.057 128.204 -325.057 -15.5074 111.855 128.204 111.856 -300.576 GPRESSURE: 965400 -150.061 -243.555 142.43 -366.904 91.9736 35.7988 51.713 145.219 -239.916 PRESSAVG: 965400 33.7335 -24.0808 1.37599 -24.0808 -49.7974 -25.6377 1.37604 -25.6377 -23.8379 GPRESSAVG: 965400 33.35 -22.2579 2.43046 -24.2911 -50.664 -24.7935 0.853872 -26.0283 -22.7139 TIMING: 965400 CPU: 3009.92, 0.00314835/step Wall: 3009.92, 0.00314835/step, 3.52842 hours remaining, 233.742188 MB of memory in use. ENERGY: 965400 3937.3480 20492.8979 14388.6294 252.7646 -203065.8549 2663.0951 0.0000 0.0000 51899.7952 -109431.3246 298.2688 -161331.1199 -109068.6467 298.2644 -131.4230 -99.3345 762156.9382 -13.3006 -13.3426 PRESSURE: 965600 -275.785 -52.3669 -35.4942 -52.3667 -58.1958 -115.471 -35.4946 -115.47 -225.916 GPRESSURE: 965600 -241.384 34.9234 -0.10988 50.3324 12.7073 -90.1078 -168.286 -56.1826 -228.673 PRESSAVG: 965600 16.2152 48.0158 23.8113 48.0157 -10.3885 -20.1774 23.8112 -20.1774 21.2943 GPRESSAVG: 965600 16.8024 47.3555 22.9163 49.0339 -8.93181 -21.2188 25.1146 -20.2175 19.4803 TIMING: 965600 CPU: 3010.54, 0.00314007/step Wall: 3010.54, 0.00314007/step, 3.51897 hours remaining, 233.742188 MB of memory in use. ENERGY: 965600 4061.7897 20759.6629 14349.3723 256.0700 -203169.4948 2635.7314 0.0000 0.0000 51835.5340 -109271.3347 297.8995 -161106.8686 -108917.1822 298.4920 -186.6320 -152.4498 763204.3517 9.0403 9.1170 PRESSURE: 965800 54.0891 -147.726 -172.872 -147.727 -328.394 186.807 -172.872 186.808 299.396 GPRESSURE: 965800 152.654 -63.351 -197.946 -133.295 -338.678 179.61 -251.108 121.839 298.062 PRESSAVG: 965800 1.19797 49.9899 -33.4754 49.9898 12.2713 15.5238 -33.4754 15.5238 -6.92863 GPRESSAVG: 965800 0.418566 49.3158 -32.9868 49.14 10.3945 17.2543 -36.5744 15.2238 -4.79051 TIMING: 965800 CPU: 3011.17, 0.00311728/step Wall: 3011.17, 0.00311728/step, 3.49326 hours remaining, 233.742188 MB of memory in use. ENERGY: 965800 4027.1596 20583.2852 14355.2638 246.1951 -203239.7536 2793.3008 0.0000 0.0000 52057.8489 -109176.7002 299.1772 -161234.5491 -108808.8438 299.0031 8.3637 37.3461 763206.6838 2.1802 2.0075 PRESSURE: 966000 -42.8716 38.2525 -195.231 38.2525 -58.9862 133.24 -195.231 133.241 -541.619 GPRESSURE: 966000 5.63534 -34.0097 -184.55 121.866 -52.7723 141.664 -71.0358 154.754 -518.8 PRESSAVG: 966000 -59.863 -9.61305 -80.0727 -9.61308 34.4365 -36.5835 -80.0727 -36.5835 18.6436 GPRESSAVG: 966000 -59.0148 -10.6238 -80.638 -10.1304 34.6439 -34.5099 -77.0984 -37.491 17.5276 TIMING: 966000 CPU: 3011.79, 0.00312421/step Wall: 3011.79, 0.00312421/step, 3.50085 hours remaining, 233.742188 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: 966000 4088.4742 20459.4548 14441.1077 243.7388 -203164.3516 2647.8040 0.0000 0.0000 52014.9502 -109268.8219 298.9306 -161283.7721 -108898.6600 299.1075 -214.4924 -188.6455 763911.9349 -2.2609 -2.2811 PRESSURE: 966200 -37.0119 105.427 -3.62118 105.427 -130.958 -14.0463 -3.62118 -14.0476 -341.337 GPRESSURE: 966200 -41.8002 102.408 -14.2159 27.5317 -27.5614 -27.2212 -58.646 -58.1601 -358.986 PRESSAVG: 966200 41.8928 15.3855 6.73786 15.3855 -21.4126 -22.4095 6.73781 -22.4095 -7.91228 GPRESSAVG: 966200 40.8683 16.1715 6.62849 15.8792 -19.2481 -24.6521 6.55632 -23.1162 -9.21354 TIMING: 966200 CPU: 3012.41, 0.00310781/step Wall: 3012.41, 0.00310781/step, 3.48231 hours remaining, 233.742188 MB of memory in use. ENERGY: 966200 3955.8649 20692.0040 14341.3062 265.0046 -203493.8761 2845.4219 0.0000 0.0000 52087.7815 -109306.4930 299.3492 -161394.2745 -108948.7941 299.3423 -169.7688 -142.7825 763863.3766 4.1893 4.1356 PRESSURE: 966400 -246.011 -11.7125 -146.682 -11.7123 57.9787 78.992 -146.682 78.9919 -252.585 GPRESSURE: 966400 -234.266 22.3985 -167.435 -6.94152 8.3371 141.894 -124.292 36.2214 -131.006 PRESSAVG: 966400 32.7552 -16.6111 26.0994 -16.6111 -7.25883 -44.017 26.0994 -44.017 14.0191 GPRESSAVG: 966400 32.2391 -15.3961 25.1519 -15.2316 -9.28789 -42.1729 25.5409 -43.1511 16.4779 TIMING: 966400 CPU: 3013.04, 0.00310847/step Wall: 3013.04, 0.00310847/step, 3.48286 hours remaining, 233.742188 MB of memory in use. ENERGY: 966400 4020.5016 20584.3029 14419.9152 236.6453 -203173.6815 2615.5148 0.0000 0.0000 51912.6630 -109384.1387 298.3428 -161296.8017 -109028.9019 299.0500 -146.8725 -118.9785 764068.8775 13.1718 13.1430 PRESSURE: 966600 40.9415 -44.1837 -100.878 -44.1825 -88.4972 246.127 -100.877 246.126 23.0364 GPRESSURE: 966600 86.1042 -58.4175 -37.8623 -82.3761 -103.4 245.703 -139.044 246.461 70.0067 PRESSAVG: 966600 58.6836 28.5343 29.4155 28.5343 -45.1604 22.7377 29.4155 22.7377 0.613307 GPRESSAVG: 966600 59.8981 27.6615 30.0539 30.362 -45.9026 19.7925 28.8335 24.0372 0.08732 TIMING: 966600 CPU: 3013.66, 0.00312027/step Wall: 3013.66, 0.00312027/step, 3.49591 hours remaining, 233.742188 MB of memory in use. ENERGY: 966600 3984.0635 20602.4493 14406.7715 241.0148 -203500.8386 2654.9310 0.0000 0.0000 51937.9808 -109673.6278 298.4883 -161611.6085 -109315.3128 299.0604 -8.1731 17.5702 763034.2556 4.7122 4.6943 PRESSURE: 966800 -96.0091 -46.6705 156.992 -46.6698 9.83063 124.722 156.991 124.723 129.343 GPRESSURE: 966800 18.1351 -95.1729 107.656 41.8029 -2.68688 79.9718 119.419 48.4153 122.633 PRESSAVG: 966800 43.2228 -2.15281 -33.8934 -2.15281 -53.6888 3.80084 -33.8934 3.80084 9.36286 GPRESSAVG: 966800 44.1526 -2.19372 -33.8277 -5.52519 -53.273 4.77224 -34.0159 2.88114 8.1718 TIMING: 966800 CPU: 3014.29, 0.0031266/step Wall: 3014.29, 0.0031266/step, 3.50284 hours remaining, 233.742188 MB of memory in use. ENERGY: 966800 4019.9998 20553.1577 14329.4527 249.9142 -203466.9979 2807.1919 0.0000 0.0000 51986.8028 -109520.4788 298.7689 -161507.2816 -109157.2476 298.2243 14.3883 46.0269 762181.5707 -0.3677 -0.3162 PRESSURE: 967000 -159.958 138.171 5.35522 138.171 -259.71 -238.106 5.35588 -238.106 217.182 GPRESSURE: 967000 -160.957 185.248 56.7703 -78.7682 -190.579 -241.672 15.267 -220.117 207.995 PRESSAVG: 967000 39.5905 20.1956 -22.8171 20.1955 -57.6897 -52.5181 -22.8171 -52.5179 -0.817122 GPRESSAVG: 967000 38.5762 19.9163 -23.2754 19.2371 -56.397 -52.5226 -22.7297 -53.9238 -0.89014 TIMING: 967000 CPU: 3014.91, 0.00314301/step Wall: 3014.91, 0.00314301/step, 3.52105 hours remaining, 233.742188 MB of memory in use. ENERGY: 967000 4012.1805 20567.4136 14366.9759 267.8845 -203423.8696 2733.6508 0.0000 0.0000 52099.7364 -109376.0280 299.4179 -161475.7643 -109009.1344 298.5601 -67.4950 -47.8468 762339.5845 -6.3054 -6.2370 PRESSURE: 967200 354.763 252.245 -56.8595 252.245 -114.446 0.59486 -56.8607 0.594973 35.2922 GPRESSURE: 967200 316.825 155.814 -105.503 261.428 9.57357 37.7126 -5.60851 112.331 36.9727 PRESSAVG: 967200 55.8162 -13.8931 -29.4477 -13.8931 -73.8648 22.8498 -29.4476 22.8499 3.92219 GPRESSAVG: 967200 56.2658 -15.3357 -29.3723 -12.4459 -75.1157 22.4992 -29.05 27.0115 4.382 TIMING: 967200 CPU: 3015.54, 0.00313051/step Wall: 3015.54, 0.00313051/step, 3.50686 hours remaining, 233.742188 MB of memory in use. ENERGY: 967200 4083.9608 20615.3490 14444.8202 241.5306 -203370.8109 2906.3600 0.0000 0.0000 51930.2738 -109148.5166 298.4440 -161078.7904 -108790.1610 298.8780 91.8695 121.1237 762936.4837 -4.7088 -4.8226 PRESSURE: 967400 -185.799 -192.407 40.0393 -192.407 -560.105 -143.025 40.0384 -143.024 -350.134 GPRESSURE: 967400 -168.808 -57.5054 38.7556 -95.5571 -512.963 -112.738 -129.602 -141.314 -320.999 PRESSAVG: 967400 82.0048 14.1423 22.685 14.1422 -81.4484 -11.9261 22.685 -11.9263 -2.29557 GPRESSAVG: 967400 81.0879 14.4906 23.2297 15.2603 -80.8373 -10.7408 23.2364 -14.4252 -1.42174 TIMING: 967400 CPU: 3016.17, 0.00314371/step Wall: 3016.17, 0.00314371/step, 3.52148 hours remaining, 233.742188 MB of memory in use. ENERGY: 967400 4052.6547 20501.5370 14390.5486 244.8785 -202966.1457 2463.7491 0.0000 0.0000 52005.5690 -109307.2088 298.8767 -161312.7778 -108950.9050 299.0896 -365.3462 -334.2568 765285.5886 -0.5797 -0.3904 PRESSURE: 967600 191.665 35.5052 120.13 35.505 127.904 -46.0196 120.13 -46.0195 -77.7194 GPRESSURE: 967600 214.877 -45.1065 131.234 52.0421 73.3838 18.5164 -1.35333 -0.826321 15.0552 PRESSAVG: 967600 47.03 14.5555 0.767184 14.5555 -68.2074 -35.2739 0.767225 -35.2739 -6.76241 GPRESSAVG: 967600 47.4443 11.9932 -1.73641 15.5618 -68.7191 -35.8325 1.0501 -33.6975 -7.1692 TIMING: 967600 CPU: 3016.79, 0.00312305/step Wall: 3016.79, 0.00312305/step, 3.49816 hours remaining, 233.742188 MB of memory in use. ENERGY: 967600 3995.4591 20564.2201 14482.8341 260.8491 -203735.9968 3052.4490 0.0000 0.0000 51983.7141 -109396.4713 298.7511 -161380.1854 -109040.2257 298.7681 80.6165 101.1054 763215.1966 -9.3133 -9.4813 PRESSURE: 967800 25.0373 104.818 188.438 104.817 434.673 173.263 188.438 173.262 142.125 GPRESSURE: 967800 103.161 220.663 202.024 82.3548 334.406 164.392 162.057 237.983 224.421 PRESSAVG: 967800 9.82715 11.7922 7.47444 11.7922 -7.08818 16.8928 7.47439 16.893 10.7824 GPRESSAVG: 967800 10.5858 15.8541 8.96813 8.97526 -7.35627 16.4808 6.48126 18.7194 9.78056 TIMING: 967800 CPU: 3017.42, 0.00314586/step Wall: 3017.42, 0.00314586/step, 3.52354 hours remaining, 233.742188 MB of memory in use. ENERGY: 967800 3981.1485 20635.9629 14521.5801 262.5803 -203625.0862 3003.3756 0.0000 0.0000 51827.4071 -109393.0316 297.8528 -161220.4388 -109044.7638 298.9541 200.6116 220.6625 763361.8543 4.5071 4.3367 PRESSURE: 968000 -208.957 87.7182 -154.604 87.7183 -231.174 19.5809 -154.604 19.5815 30.5902 GPRESSURE: 968000 -215.475 -0.205762 -192.627 -9.6786 -93.2775 -32.8125 -82.5466 146.77 -24.3216 PRESSAVG: 968000 -20.1424 41.024 76.272 41.0239 -9.40713 -16.2402 76.2719 -16.2402 17.3473 GPRESSAVG: 968000 -22.3156 38.4929 75.2629 43.1284 -7.38845 -16.7368 75.6424 -18.1701 17.9347 TIMING: 968000 CPU: 3018.05, 0.00314772/step Wall: 3018.05, 0.00314772/step, 3.52545 hours remaining, 233.742188 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: 968000 3967.1295 20387.5720 14431.7878 249.3586 -203020.3204 2606.6061 0.0000 0.0000 52057.0803 -109320.7861 299.1728 -161377.8664 -108946.5786 298.5161 -136.5136 -111.0246 765051.8798 -4.0674 -3.9231 PRESSURE: 968200 -306.751 102.136 137.008 102.136 349.515 -292.005 137.008 -292.005 115.562 GPRESSURE: 968200 -226.952 -27.311 237.026 90.2759 313.604 -176.146 102.616 -248.247 183.391 PRESSAVG: 968200 -12.3684 61.8962 45.6683 61.8962 52.2055 -73.2618 45.6684 -73.2618 23.0361 GPRESSAVG: 968200 -11.3107 63.9019 45.9608 61.6531 50.3696 -69.9575 45.6727 -73.8888 23.2848 TIMING: 968200 CPU: 3018.68, 0.00313485/step Wall: 3018.68, 0.00313485/step, 3.51085 hours remaining, 233.742188 MB of memory in use. ENERGY: 968200 3940.2463 20505.0708 14449.9082 263.5108 -203786.1713 3115.6771 0.0000 0.0000 52008.1762 -109503.5818 298.8917 -161511.7580 -109140.1127 298.5527 52.7753 90.0142 762537.8475 20.9577 20.7812 LDB: ============= START OF LOAD BALANCING ============== 3031.16 LDB: ============== END OF LOAD BALANCING =============== 3031.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3031.16 LDB: ============= START OF LOAD BALANCING ============== 3031.47 LDB: Largest compute 7059 load 0.031089 is 15.9% of average load 0.194970 LDB: Average compute 0.004408 is 2.3% of average load 0.194970 LDB: TIME 3031.48 LOAD: AVG 0.19497 MAX 0.213301 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.535 MB LDB: TIME 3031.48 LOAD: AVG 0.19497 MAX 0.213301 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.535 MB LDB: TIME 3031.48 LOAD: AVG 0.19497 MAX 0.213301 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.535 MB LDB: ============== END OF LOAD BALANCING =============== 3031.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3031.48 PRESSURE: 968400 -58.9445 32.1153 38.7312 32.1144 -229.679 -143.235 38.731 -143.236 -229.029 GPRESSURE: 968400 -22.706 18.5573 26.4918 27.2234 -243.471 17.5999 106.406 -305.634 -161.35 PRESSAVG: 968400 -25.0058 36.4849 32.9712 36.4849 16.1137 -19.7882 32.9712 -19.7882 15.4606 GPRESSAVG: 968400 -25.2346 35.421 32.6474 34.4532 16.4409 -21.4317 34.8828 -17.8747 15.2321 TIMING: 968400 CPU: 3019.32, 0.00318537/step Wall: 3019.32, 0.00318537/step, 3.56727 hours remaining, 234.050781 MB of memory in use. ENERGY: 968400 3957.0292 20505.4026 14400.1923 242.8707 -203014.6038 2443.1248 0.0000 0.0000 51942.8277 -109523.1565 298.5161 -161465.9842 -109155.2033 298.4277 -172.5509 -142.5091 762083.8742 2.1895 2.1462 PRESSURE: 968600 7.29114 -137.947 45.2972 -137.947 120.541 138.675 45.2975 138.675 -68.3817 GPRESSURE: 968600 65.8839 -56.4422 96.9284 -28.1127 145.458 144.041 -64.6517 145.278 -65.4192 PRESSAVG: 968600 -4.18762 20.9622 15.2352 20.9622 25.6529 -16.8256 15.2352 -16.8256 19.1364 GPRESSAVG: 968600 -3.06393 22.3267 15.6011 23.2864 24.959 -18.0307 14.9958 -17.6911 18.1473 TIMING: 968600 CPU: 3019.94, 0.00312788/step Wall: 3019.94, 0.00312788/step, 3.5027 hours remaining, 234.050781 MB of memory in use. ENERGY: 968600 3979.3026 20512.0480 14398.0798 242.6716 -202811.6465 2460.6130 0.0000 0.0000 51643.4571 -109575.4743 296.7957 -161218.9315 -109224.1002 298.1995 19.8168 48.6410 762522.2580 13.5339 13.3475 PRESSURE: 968800 90.5228 134.223 175.82 134.223 365.062 -81.4031 175.819 -81.4032 -101.346 GPRESSURE: 968800 164.68 166.947 160.941 163.053 265.705 -187.806 151.296 -107.534 6.63461 PRESSAVG: 968800 -34.5502 38.2703 -22.0265 38.2704 12.855 -0.045928 -22.0265 -0.0459736 17.3129 GPRESSAVG: 968800 -35.6286 36.0799 -21.4039 37.1793 12.5067 -0.379342 -21.8151 0.193883 18.2493 TIMING: 968800 CPU: 3020.57, 0.00312891/step Wall: 3020.57, 0.00312891/step, 3.50368 hours remaining, 234.050781 MB of memory in use. ENERGY: 968800 3957.9681 20503.3214 14317.4047 228.3287 -203328.6875 2892.7895 0.0000 0.0000 51628.9820 -109799.8931 296.7125 -161428.8751 -109443.3653 297.6334 118.0798 145.6734 761528.1318 -1.4608 -1.6242 PRESSURE: 969000 199.39 -41.1214 -57.0756 -41.1219 90.1436 -67.0158 -57.0761 -67.0149 1.433 GPRESSURE: 969000 126.284 31.3546 32.7299 -154.525 238.056 -119.975 -156.34 -181.726 -7.47824 PRESSAVG: 969000 21.8381 57.1397 -44.2588 57.1397 1.25003 -19.6428 -44.2589 -19.6429 16.2537 GPRESSAVG: 969000 20.8235 59.2974 -44.1405 56.0109 1.41352 -17.7855 -45.3036 -20.476 16.9133 TIMING: 969000 CPU: 3021.2, 0.00313474/step Wall: 3021.2, 0.00313474/step, 3.51004 hours remaining, 234.050781 MB of memory in use. ENERGY: 969000 3937.9029 20467.4730 14315.8033 255.2195 -203826.0983 3027.9454 0.0000 0.0000 52077.3657 -109744.3886 299.2893 -161821.7543 -109378.5822 297.5610 96.9889 118.9539 761708.9542 13.1140 13.0501 PRESSURE: 969200 -280.948 -44.1368 213.971 -44.1373 38.5138 -125.029 213.971 -125.029 -66.0768 GPRESSURE: 969200 -300.091 -140.432 161.658 -201.683 118.825 -162.763 209.319 10.0176 -64.2158 PRESSAVG: 969200 -38.2724 5.62775 20.2861 5.62775 -16.4574 -40.7727 20.2861 -40.7728 8.02596 GPRESSAVG: 969200 -38.0555 4.03873 18.5095 5.6985 -14.9683 -41.7845 20.7339 -42.1715 6.28074 TIMING: 969200 CPU: 3021.82, 0.00311722/step Wall: 3021.82, 0.00311722/step, 3.49025 hours remaining, 234.050781 MB of memory in use. ENERGY: 969200 3940.0366 20312.1613 14408.5101 247.1065 -203253.5626 2597.5389 0.0000 0.0000 52173.4620 -109574.7472 299.8416 -161748.2092 -109214.8628 297.8145 -102.8370 -81.8271 762539.7335 -15.5679 -15.5810 PRESSURE: 969400 -333.396 23.5927 -102.776 23.5925 250.341 85.346 -102.775 85.3464 -346.55 GPRESSURE: 969400 -245.276 63.0798 -34.705 104.989 231.065 50.7389 -70.5839 118.959 -321.514 PRESSAVG: 969400 20.3151 48.3649 16.2342 48.3649 31.7361 -18.068 16.2343 -18.0678 0.555544 GPRESSAVG: 969400 21.1097 48.0999 16.4877 48.1859 30.6057 -17.5482 15.7447 -15.5541 1.05 TIMING: 969400 CPU: 3022.44, 0.0031203/step Wall: 3022.44, 0.0031203/step, 3.49352 hours remaining, 234.050781 MB of memory in use. ENERGY: 969400 3963.0273 20449.5370 14407.1275 247.6952 -203026.2447 2659.6816 0.0000 0.0000 51843.0363 -109456.1396 297.9426 -161299.1760 -109093.1463 298.1398 -143.2016 -111.9083 764637.8350 17.5356 17.5885 PRESSURE: 969600 -177.213 -32.0848 134.591 -32.0846 -106.477 -223.088 134.592 -223.088 -9.47853 GPRESSURE: 969600 -175.054 62.7656 98.5148 49.4757 -13.4464 -154.228 195.123 -160.479 -24.6788 PRESSAVG: 969600 35.0086 -3.06685 -2.06487 -3.06687 12.1999 26.466 -2.06483 26.4659 -37.084 GPRESSAVG: 969600 34.4234 -0.413232 -2.75432 -1.82687 12.7785 27.2263 -0.22279 25.4907 -36.8859 TIMING: 969600 CPU: 3023.06, 0.00310882/step Wall: 3023.06, 0.00310882/step, 3.4805 hours remaining, 234.050781 MB of memory in use. ENERGY: 969600 4042.1036 20392.9070 14376.3088 229.1314 -203255.8852 2686.5223 0.0000 0.0000 51859.7023 -109669.2097 298.0384 -161528.9120 -109316.7948 298.2228 -97.7228 -71.0598 763688.5186 3.3748 3.4387 PRESSURE: 969800 -378.81 -6.67968 -119.737 -6.67994 -102.451 7.10129 -119.737 7.10245 182.795 GPRESSURE: 969800 -294.417 19.9105 -50.7156 -111.74 -91.9754 -83.2855 -84.584 -33.9017 157.055 PRESSAVG: 969800 -30.1121 31.2683 -4.74106 31.2682 32.1185 -6.20179 -4.74109 -6.20174 30.3463 GPRESSAVG: 969800 -29.8082 28.9428 -5.0376 32.5181 31.8602 -6.45805 -4.65439 -7.67779 30.5111 TIMING: 969800 CPU: 3023.69, 0.00311548/step Wall: 3023.69, 0.00311549/step, 3.48779 hours remaining, 234.050781 MB of memory in use. ENERGY: 969800 3889.8716 20414.8239 14450.4364 253.1705 -202869.9632 2406.6161 0.0000 0.0000 51757.7189 -109697.3258 297.4523 -161455.0447 -109346.6561 297.2956 -99.4888 -76.4455 761718.3690 10.7842 10.8544 PRESSURE: 970000 -21.1202 -0.413107 -207.276 -0.413476 84.7073 -6.75081 -207.277 -6.75145 245.434 GPRESSURE: 970000 63.0523 -56.7024 -190.495 -7.06895 146.558 54.0242 -179.584 106.725 190.566 PRESSAVG: 970000 36.7573 -5.45676 -41.8071 -5.45673 -31.7621 -22.2758 -41.8072 -22.2758 -8.94379 GPRESSAVG: 970000 36.5604 -5.71996 -42.0169 -8.194 -32.2215 -22.6028 -39.5784 -22.0427 -8.72286 TIMING: 970000 CPU: 3024.31, 0.00312187/step Wall: 3024.31, 0.00312187/step, 3.49476 hours remaining, 234.050781 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: 970000 3900.5070 20387.3578 14399.4106 262.2915 -203341.6271 2934.4665 0.0000 0.0000 51738.4678 -109719.1259 297.3417 -161457.5937 -109359.3342 297.8821 103.0070 133.3920 764113.7430 -1.3162 -1.4613 PRESSURE: 970200 -124.74 59.1998 -17.6203 59.2005 28.3237 -105.785 -17.6202 -105.785 -35.7837 GPRESSURE: 970200 -24.2589 64.1399 -49.2813 85.075 -2.808 -60.6788 -131.619 -58.6438 -30.9449 PRESSAVG: 970200 -83.585 8.8292 -5.25334 8.82923 45.8719 -16.8338 -5.25338 -16.8338 -1.59306 GPRESSAVG: 970200 -83.5023 10.3693 -3.18001 8.74911 45.778 -17.3532 -9.77798 -15.7195 -1.34907 TIMING: 970200 CPU: 3024.93, 0.00310865/step Wall: 3024.93, 0.00310865/step, 3.47978 hours remaining, 234.050781 MB of memory in use. ENERGY: 970200 4029.2563 20534.7225 14309.8460 276.0323 -203225.8679 2713.8136 0.0000 0.0000 51728.5453 -109633.6519 297.2847 -161362.1972 -109279.1702 298.2967 -44.0667 -19.3372 763751.5827 -13.1021 -13.0245 PRESSURE: 970400 89.0271 -106.894 -67.9468 -106.894 -13.1977 60.5013 -67.9475 60.5017 -504.383 GPRESSURE: 970400 24.444 -54.6759 -142.85 -100.54 15.5554 135.848 18.3984 69.9421 -396.972 PRESSAVG: 970400 23.1654 19.9066 13.8587 19.9066 25.4769 13.5409 13.8586 13.541 -15.1022 GPRESSAVG: 970400 22.105 19.8462 11.9008 21.6245 25.1633 14.3871 16.1837 15.6704 -14.3724 TIMING: 970400 CPU: 3025.56, 0.00312586/step Wall: 3025.56, 0.00312586/step, 3.49888 hours remaining, 234.050781 MB of memory in use. ENERGY: 970400 4007.1446 20451.9185 14415.1450 237.1734 -203230.3157 2554.4939 0.0000 0.0000 51845.5056 -109718.9347 297.9568 -161564.4403 -109354.5375 298.0585 -142.8512 -118.9909 762138.1603 11.1800 10.9653 PRESSURE: 970600 -6.92232 89.4942 119.802 89.4946 238.547 -24.0773 119.803 -24.0763 295.218 GPRESSURE: 970600 81.8196 138.075 18.0526 36.9627 273.691 30.7778 222.424 -105.911 251.109 PRESSAVG: 970600 -39.4963 6.21415 -33.3223 6.21417 16.617 17.0338 -33.3224 17.0338 29.5051 GPRESSAVG: 970600 -38.1549 6.58138 -31.8953 6.42221 16.8214 15.3686 -32.2494 14.2082 28.6391 TIMING: 970600 CPU: 3026.18, 0.0031172/step Wall: 3026.18, 0.0031172/step, 3.48901 hours remaining, 234.050781 MB of memory in use. ENERGY: 970600 4009.2385 20312.4624 14383.1891 261.5322 -203622.7517 3039.6566 0.0000 0.0000 52007.3658 -109609.3070 298.8870 -161616.6728 -109254.9614 297.5225 175.6142 202.2064 762281.2105 2.2086 2.4352 PRESSURE: 970800 77.8451 -56.5177 153.876 -56.5178 140.067 -2.75599 153.876 -2.75666 -104.315 GPRESSURE: 970800 123.885 -83.4727 167.836 28.2826 149.602 -25.9306 153.283 71.9442 -87.3316 PRESSAVG: 970800 -20.4261 15.7996 35.3326 15.7995 38.1091 -33.0912 35.3326 -33.0912 12.9359 GPRESSAVG: 970800 -19.8639 14.4176 34.6324 14.8801 37.4231 -31.3288 33.0083 -31.2926 13.2138 TIMING: 970800 CPU: 3026.81, 0.00312408/step Wall: 3026.81, 0.00312408/step, 3.49654 hours remaining, 234.050781 MB of memory in use. ENERGY: 970800 3965.4593 20587.6342 14434.8262 257.1851 -202980.8622 2519.4939 0.0000 0.0000 51788.3878 -109427.8757 297.6286 -161216.2635 -109082.9550 298.2891 37.8658 62.0519 763927.1091 10.2063 10.2577 PRESSURE: 971000 -29.596 238.793 171.531 238.793 67.2501 28.7586 171.531 28.7581 130.295 GPRESSURE: 971000 41.5724 138.135 193.716 239.4 57.2101 48.1447 113.693 43.7824 143.12 PRESSAVG: 971000 -29.2234 25.0731 -40.2182 25.073 30.0212 -78.177 -40.2182 -78.177 18.8836 GPRESSAVG: 971000 -29.8751 25.3255 -39.3647 26.3575 31.1116 -79.312 -40.2881 -80.4865 18.6811 TIMING: 971000 CPU: 3027.43, 0.00312088/step Wall: 3027.43, 0.00312088/step, 3.49279 hours remaining, 234.050781 MB of memory in use. ENERGY: 971000 4018.0231 20551.4572 14404.9609 254.2484 -203067.4039 2610.7317 0.0000 0.0000 51917.8497 -109310.1329 298.3726 -161227.9826 -108947.3579 298.6598 55.9831 80.6343 762992.0791 6.5605 6.6392 PRESSURE: 971200 147.385 -236.51 -188.734 -236.509 -316.533 -60.7189 -188.734 -60.7191 220.588 GPRESSURE: 971200 211.166 -196.651 -140.551 -227.479 -264.575 -97.5657 -48.1153 -56.6977 194.206 PRESSAVG: 971200 -42.9701 -7.11255 -71.1024 -7.11258 40.2505 14.9239 -71.1025 14.9239 7.58589 GPRESSAVG: 971200 -42.7527 -5.0016 -72.2896 -9.19574 39.1919 14.0729 -69.7116 16.3326 8.4158 TIMING: 971200 CPU: 3028.06, 0.00314749/step Wall: 3028.06, 0.00314749/step, 3.52239 hours remaining, 234.050781 MB of memory in use. ENERGY: 971200 4026.0195 20388.2389 14454.1311 251.4722 -203198.0308 2754.2857 0.0000 0.0000 52028.5516 -109295.3318 299.0088 -161323.8834 -108932.9264 298.8025 17.1467 46.9325 762315.4142 1.6221 1.6183 PRESSURE: 971400 149.814 80.5838 -92.5604 80.5846 -119.69 267.338 -92.5606 267.338 -310.96 GPRESSURE: 971400 151.084 6.05934 -19.8097 155.061 -117.523 190.912 -42.0486 238.389 -219.844 PRESSAVG: 971400 7.59062 -2.33352 -53.0358 -2.33355 18.6163 -24.87 -53.0359 -24.8699 -0.580472 GPRESSAVG: 971400 6.72294 -4.04738 -52.9418 -2.31092 18.4237 -24.7275 -53.0291 -26.9984 0.358526 TIMING: 971400 CPU: 3028.69, 0.00313394/step Wall: 3028.69, 0.00313394/step, 3.50705 hours remaining, 234.050781 MB of memory in use. ENERGY: 971400 3982.5177 20550.8472 14411.5242 246.9582 -203063.4969 2584.3967 0.0000 0.0000 52066.1438 -109221.1090 299.2248 -161287.2528 -108866.5645 299.2506 -93.6120 -62.0945 762340.5295 8.5421 8.5017 PRESSURE: 971600 -36.2493 -160.586 -137.188 -160.588 -426.893 68.167 -137.187 68.1676 -141.701 GPRESSURE: 971600 11.7524 -49.8616 -33.3504 -127.514 -365.397 52.7268 39.828 75.5779 -152.372 PRESSAVG: 971600 35.0835 11.3697 -3.3993 11.3698 -42.6481 -29.051 -3.39933 -29.0509 -12.8502 GPRESSAVG: 971600 35.6223 9.99589 -2.79065 12.4301 -42.709 -27.6002 -2.6574 -26.8475 -12.8816 TIMING: 971600 CPU: 3029.31, 0.00313288/step Wall: 3029.31, 0.00313288/step, 3.5057 hours remaining, 234.050781 MB of memory in use. ENERGY: 971600 4047.0304 20552.6933 14453.6708 230.8540 -203156.6718 2646.9968 0.0000 0.0000 52103.8792 -109121.5473 299.4417 -161225.4265 -108762.8350 299.1511 -201.6144 -168.6721 764817.5387 -6.8049 -6.6561 PRESSURE: 971800 -269.469 -98.1608 80.6171 -98.1605 168.726 -151.684 80.6163 -151.684 145.29 GPRESSURE: 971800 -235.841 -116.052 55.2358 -141.674 197.829 -77.65 53.3308 -221.531 179.594 PRESSAVG: 971800 31.1994 12.9327 -56.2787 12.9327 -23.9403 -44.1211 -56.2788 -44.1211 9.57735 GPRESSAVG: 971800 31.3845 15.2348 -58.7329 14.4395 -23.6816 -42.8123 -57.8255 -46.4062 9.56846 TIMING: 971800 CPU: 3029.94, 0.00312119/step Wall: 3029.94, 0.00312119/step, 3.49244 hours remaining, 234.050781 MB of memory in use. ENERGY: 971800 3972.1158 20519.2801 14396.3751 243.2895 -202977.7396 2807.3574 0.0000 0.0000 51864.7007 -109174.6209 298.0671 -161039.3216 -108813.0901 299.3944 14.8488 47.1938 764799.2246 5.6121 5.7571 PRESSURE: 972000 62.7449 -12.792 116.571 -12.7922 -262.34 75.2817 116.571 75.281 141.644 GPRESSURE: 972000 84.9825 -62.6972 94.0126 71.93 -216.984 25.2824 91.1965 -43.1649 153.094 PRESSAVG: 972000 -54.3226 -1.36935 26.4423 -1.36932 39.1802 -15.621 26.4423 -15.6209 10.1915 GPRESSAVG: 972000 -53.9898 -0.448215 27.7555 -4.55922 39.9314 -17.9028 25.2966 -14.8024 9.45541 TIMING: 972000 CPU: 3030.56, 0.00312178/step Wall: 3030.56, 0.00312178/step, 3.49292 hours remaining, 234.050781 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: 972000 3974.8326 20603.3839 14339.0197 264.9408 -203410.3179 2796.6484 0.0000 0.0000 52150.5572 -109280.9354 299.7100 -161431.4926 -108918.2690 299.2982 -19.3172 7.0310 763846.7944 -1.6503 -1.5343 PRESSURE: 972200 -153.356 81.5815 -41.9476 81.5815 -62.0497 21.8341 -41.9471 21.8341 4.06662 GPRESSURE: 972200 -86.8527 13.2696 -5.95991 14.5197 7.49732 -6.44308 -164.413 16.1204 -31.3536 PRESSAVG: 972200 10.767 24.6241 -24.1374 24.6241 35.5235 -47.6731 -24.1374 -47.6731 -11.1842 GPRESSAVG: 972200 10.4397 22.6361 -22.8582 25.6658 36.3717 -47.0504 -24.6403 -47.7505 -11.8404 TIMING: 972200 CPU: 3031.19, 0.00315332/step Wall: 3031.19, 0.00315332/step, 3.52804 hours remaining, 234.050781 MB of memory in use. ENERGY: 972200 4093.6602 20450.4402 14436.9730 230.4084 -203655.9389 3020.4999 0.0000 0.0000 51936.5661 -109487.3912 298.4802 -161423.9572 -109131.8763 298.7414 -70.4464 -36.9030 762173.3193 11.7021 11.6570 LDB: ============= START OF LOAD BALANCING ============== 3043.67 LDB: ============== END OF LOAD BALANCING =============== 3043.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3043.67 LDB: ============= START OF LOAD BALANCING ============== 3043.99 LDB: Largest compute 6997 load 0.031119 is 16.0% of average load 0.194999 LDB: Average compute 0.004413 is 2.3% of average load 0.194999 LDB: TIME 3043.99 LOAD: AVG 0.194999 MAX 0.218365 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.312 MB LDB: TIME 3043.99 LOAD: AVG 0.194999 MAX 0.218365 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.312 MB LDB: TIME 3043.99 LOAD: AVG 0.194999 MAX 0.215714 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.312 MB LDB: ============== END OF LOAD BALANCING =============== 3043.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3044 PRESSURE: 972400 -60.7272 -13.3602 -94.1189 -13.3597 -68.9947 -22.2506 -94.1189 -22.2505 -254.208 GPRESSURE: 972400 36.4677 -17.98 -95.5956 -98.6694 -48.5649 -98.4196 -82.3807 25.9015 -286.922 PRESSAVG: 972400 9.31341 26.5149 -52.5014 26.515 -24.2584 15.1093 -52.5014 15.1093 3.13623 GPRESSAVG: 972400 10.5295 26.4397 -51.7723 26.4867 -25.2553 14.7513 -51.5929 16.4075 2.5381 TIMING: 972400 CPU: 3031.83, 0.00320308/step Wall: 3031.83, 0.00320308/step, 3.58353 hours remaining, 233.027344 MB of memory in use. ENERGY: 972400 4019.9909 20603.4957 14417.1927 242.5950 -203123.2369 2583.6234 0.0000 0.0000 51758.2863 -109498.0529 297.4556 -161256.3392 -109133.8230 298.5017 -127.9768 -99.6730 764377.9187 -3.9362 -4.0626 PRESSURE: 972600 252.577 -70.7534 255.512 -70.7532 -198.79 -25.8056 255.512 -25.8066 -55.074 GPRESSURE: 972600 248.248 -150.489 230.114 -50.5098 -125.323 86.1441 180.232 -81.8744 -63.3133 PRESSAVG: 972600 74.7245 -23.6038 8.53646 -23.6038 -63.8549 18.7387 8.53645 18.7388 -12.0456 GPRESSAVG: 972600 74.0063 -22.9413 5.28742 -23.6852 -63.4091 20.1863 9.11385 17.6022 -11.9966 TIMING: 972600 CPU: 3032.46, 0.0031303/step Wall: 3032.46, 0.0031303/step, 3.50193 hours remaining, 233.027344 MB of memory in use. ENERGY: 972600 3943.5892 20570.9836 14359.6109 249.5189 -203417.6434 2685.8538 0.0000 0.0000 51888.9848 -109719.1023 298.2067 -161608.0871 -109365.8930 298.1235 -0.4288 19.8705 761648.6776 -0.3920 -0.4665 PRESSURE: 972800 -139.937 -291.12 -81.5134 -291.12 -42.3563 198.439 -81.5132 198.44 289.267 GPRESSURE: 972800 -117.859 -232.15 -63.6673 -222.052 -52.092 250.611 64.8591 138.566 325.141 PRESSAVG: 972800 41.8244 -0.248889 -8.51637 -0.248857 -7.17884 -23.1687 -8.51639 -23.1687 17.4059 GPRESSAVG: 972800 41.3141 0.808288 -7.32015 -1.24615 -8.00126 -22.3308 -7.02662 -23.9805 18.5175 TIMING: 972800 CPU: 3033.08, 0.00312051/step Wall: 3033.08, 0.00312051/step, 3.49081 hours remaining, 233.027344 MB of memory in use. ENERGY: 972800 3944.9947 20490.5979 14422.4393 249.4349 -203491.2838 2777.5743 0.0000 0.0000 51862.8569 -109743.3858 298.0566 -161606.2427 -109391.4798 297.8144 35.6579 51.7301 761238.6779 17.3505 17.2768 PRESSURE: 973000 -42.955 5.24411 -99.3326 5.24393 -235.332 -17.7629 -99.3326 -17.7621 -188.572 GPRESSURE: 973000 -90.3505 -37.0118 -60.516 -46.1455 -245.449 -118.039 -136.223 18.028 -43.2228 PRESSAVG: 973000 7.1029 -3.55832 -33.8801 -3.55834 -35.5778 -17.3354 -33.88 -17.3355 -7.56233 GPRESSAVG: 973000 6.16177 -5.5323 -33.3208 -0.858533 -35.5158 -18.2042 -35.4152 -17.1355 -6.65866 TIMING: 973000 CPU: 3033.71, 0.00311818/step Wall: 3033.71, 0.00311818/step, 3.48804 hours remaining, 233.027344 MB of memory in use. ENERGY: 973000 3997.9395 20521.7994 14379.6862 243.6209 -203151.7102 2638.6177 0.0000 0.0000 51842.7917 -109527.2548 297.9412 -161370.0465 -109175.7958 297.9353 -155.6197 -126.3409 763832.7707 -12.0124 -12.0042 PRESSURE: 973200 64.7335 101.324 -0.16492 101.324 103.749 -46.3091 -0.165804 -46.309 165.931 GPRESSURE: 973200 210.245 198.991 17.8848 128.573 91.9446 -81.418 -87.5842 -77.925 123.002 PRESSAVG: 973200 63.2901 -28.0445 -16.9721 -28.0445 -11.9599 -7.05459 -16.9721 -7.05452 -27.6011 GPRESSAVG: 973200 65.0996 -27.0069 -16.3894 -30.6767 -11.7064 -6.89789 -18.0968 -8.35491 -28.8016 TIMING: 973200 CPU: 3034.33, 0.00311753/step Wall: 3034.33, 0.00311753/step, 3.48713 hours remaining, 233.027344 MB of memory in use. ENERGY: 973200 3938.5534 20559.7995 14349.4198 257.0142 -203220.8503 2695.6344 0.0000 0.0000 51791.7912 -109628.6378 297.6481 -161420.4290 -109266.8494 298.1726 111.4713 141.7305 762472.3783 7.9097 8.1972 PRESSURE: 973400 -90.2471 -30.0059 219 -30.0057 191.634 66.0588 219.001 66.0573 -47.6145 GPRESSURE: 973400 -41.6921 84.565 311.534 -72.4455 193.696 59.0937 117.086 236.974 -16.7009 PRESSAVG: 973400 47.6803 -5.44356 -65.2315 -5.44355 -38.0501 3.50388 -65.2315 3.50392 9.46617 GPRESSAVG: 973400 48.0688 -4.79097 -65.3257 -3.36623 -37.4722 4.55355 -65.2268 7.47857 8.65439 TIMING: 973400 CPU: 3034.96, 0.00313022/step Wall: 3034.96, 0.00313022/step, 3.50115 hours remaining, 233.027344 MB of memory in use. ENERGY: 973400 3873.1970 20495.1879 14427.9400 238.3971 -203470.8370 3031.0628 0.0000 0.0000 51854.9238 -109550.1284 298.0110 -161405.0521 -109190.0544 298.2936 17.9242 45.1010 762216.1258 6.3654 6.4170 PRESSURE: 973600 244.518 -1.47418 142.969 -1.47308 -145.796 31.0289 142.969 31.0293 507.187 GPRESSURE: 973600 269.692 31.4217 168.227 48.542 -23.7595 51.7783 -143.103 17.1382 438.382 PRESSAVG: 973600 3.54514 4.0821 15.0506 4.08208 -23.1128 43.9481 15.0506 43.9482 -24.0209 GPRESSAVG: 973600 3.1608 2.46624 15.1672 5.09917 -23.9764 43.9775 15.8278 40.1131 -22.7869 TIMING: 973600 CPU: 3035.59, 0.00314291/step Wall: 3035.59, 0.00314292/step, 3.51518 hours remaining, 233.027344 MB of memory in use. ENERGY: 973600 3903.3722 20606.7373 14457.7020 257.8706 -203313.9367 2775.3744 0.0000 0.0000 51839.3179 -109473.5623 297.9213 -161312.8802 -109111.2750 298.2734 201.9700 228.1048 762393.4868 -14.5295 -14.5342 PRESSURE: 973800 237.995 105.086 -228.609 105.085 -84.4101 292.75 -228.609 292.751 -168.776 GPRESSURE: 973800 251.544 70.695 -268.092 49.5454 -59.7141 229.866 -188.275 244.546 -107.916 PRESSAVG: 973800 -18.5121 -8.01116 -38.5863 -8.01114 -15.4274 -2.47924 -38.5864 -2.47913 6.00237 GPRESSAVG: 973800 -19.101 -7.93613 -38.7303 -8.53861 -14.7833 -3.23939 -38.7995 1.25704 6.03264 TIMING: 973800 CPU: 3036.21, 0.0031241/step Wall: 3036.21, 0.0031241/step, 3.49396 hours remaining, 233.027344 MB of memory in use. ENERGY: 973800 4047.5381 20495.4662 14465.8932 250.6089 -203560.3695 2741.4780 0.0000 0.0000 52009.8732 -109549.5119 298.9015 -161559.3851 -109191.7498 298.4881 -5.0637 27.9715 760877.1941 -9.3124 -9.2839 PRESSURE: 974000 -34.8383 -94.9693 -112.91 -94.9686 179.439 56.502 -112.91 56.5018 179.607 GPRESSURE: 974000 -82.9118 81.6168 -144.504 -72.2816 314.819 89.4371 -105.015 104.407 180.545 PRESSAVG: 974000 34.8415 15.0499 0.179191 15.0498 -4.03132 39.7683 0.179099 39.7683 18.3534 GPRESSAVG: 974000 33.9885 16.9158 0.529897 14.3429 -3.73709 39.26 1.26176 36.9091 18.8986 TIMING: 974000 CPU: 3036.84, 0.00314436/step Wall: 3036.84, 0.00314436/step, 3.51644 hours remaining, 233.027344 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: 974000 4012.0038 20453.5660 14366.7491 256.7216 -203539.2107 2964.1100 0.0000 0.0000 52014.0151 -109472.0449 298.9253 -161486.0601 -109099.6857 298.5450 108.0694 137.4840 762189.6546 16.3878 16.3833 PRESSURE: 974200 -20.6143 140.747 229.203 140.747 -212.46 233.21 229.203 233.21 -68.1036 GPRESSURE: 974200 111.384 80.1333 153.998 42.4903 -161.49 176.512 272.313 287.998 -176.447 PRESSAVG: 974200 49.2868 -40.9776 18.5267 -40.9777 -2.3117 -6.36109 18.5267 -6.36113 -8.07861 GPRESSAVG: 974200 50.815 -43.2537 16.3373 -40.0289 -3.73911 -6.24074 17.3555 -5.06196 -8.44353 TIMING: 974200 CPU: 3037.47, 0.00313964/step Wall: 3037.47, 0.00313964/step, 3.51099 hours remaining, 233.027344 MB of memory in use. ENERGY: 974200 3961.3983 20447.3866 14366.1848 263.6686 -203697.6637 3077.2247 0.0000 0.0000 52075.4583 -109506.3425 299.2784 -161581.8008 -109138.5801 298.3781 -100.3927 -75.5177 763964.0313 12.9655 12.8774 PRESSURE: 974400 -34.8087 -136.166 -134.262 -136.166 -118.875 97.4893 -134.261 97.4906 226.942 GPRESSURE: 974400 -16.5444 -163.219 -206.3 -154.257 -31.355 56.119 -7.25722 145.724 199.173 PRESSAVG: 974400 15.8077 3.94801 12.953 3.94802 -25.755 26.7426 12.953 26.7427 0.645649 GPRESSAVG: 974400 15.1023 6.28387 13.4407 3.59154 -25.1414 26.3036 13.1635 28.5119 0.141582 TIMING: 974400 CPU: 3038.09, 0.00311683/step Wall: 3038.09, 0.00311683/step, 3.48531 hours remaining, 233.027344 MB of memory in use. ENERGY: 974400 4028.9220 20509.1826 14498.9131 241.9421 -203608.0141 3089.4296 0.0000 0.0000 51814.3603 -109425.2644 297.7778 -161239.6246 -109064.9323 298.4607 24.4192 50.4244 762054.3927 -3.1005 -3.2992 PRESSURE: 974600 -202.375 -7.23439 -60.4569 -7.23337 128.728 -182.604 -60.4575 -182.603 -270.933 GPRESSURE: 974600 -131.719 153.093 1.4378 58.0704 90.7764 -145.742 23.0509 -156.415 -203.835 PRESSAVG: 974600 -55.7821 -19.3552 -11.557 -19.3552 56.3154 62.1751 -11.557 62.1751 10.289 GPRESSAVG: 974600 -55.4875 -19.1829 -10.1344 -19.8059 56.6755 63.0674 -10.8282 60.3324 9.73882 TIMING: 974600 CPU: 3038.72, 0.00314474/step Wall: 3038.72, 0.00314474/step, 3.51634 hours remaining, 233.027344 MB of memory in use. ENERGY: 974600 3973.7180 20448.4267 14450.7292 257.5065 -203568.1587 2915.1054 0.0000 0.0000 52066.7935 -109455.8794 299.2286 -161522.6729 -109097.6025 298.7119 -114.8598 -81.5924 762775.3105 3.6074 3.6422 PRESSURE: 974800 -217.348 85.466 -73.7179 85.4661 -30.9626 183.591 -73.7175 183.591 140.389 GPRESSURE: 974800 -272.981 105.044 -2.61851 88.7997 53.3912 173.649 -70.4857 187.116 206.032 PRESSAVG: 974800 -9.01843 -19.626 22.1689 -19.6259 40.9309 39.5775 22.169 39.5775 16.412 GPRESSAVG: 974800 -8.17897 -20.4224 22.8089 -18.8076 38.7179 38.5975 20.6232 40.3479 17.853 TIMING: 974800 CPU: 3039.34, 0.00312405/step Wall: 3039.34, 0.00312405/step, 3.49304 hours remaining, 233.027344 MB of memory in use. ENERGY: 974800 4043.9229 20599.3580 14481.2419 237.3844 -203203.4114 2674.5260 0.0000 0.0000 51865.1900 -109301.7881 298.0700 -161166.9781 -108935.6804 298.8330 -35.9739 -4.5192 762875.6364 16.1082 16.1306 PRESSURE: 975000 -374.427 131.23 -419.173 131.231 -78.9554 40.4109 -419.173 40.4112 -148.055 GPRESSURE: 975000 -330.3 64.2281 -312.594 -57.0578 -44.5335 -42.7851 -251.606 -117.246 -130.053 PRESSAVG: 975000 -38.9063 32.3848 -44.2822 32.3849 61.8142 0.576557 -44.2822 0.576562 10.5192 GPRESSAVG: 975000 -41.1373 32.6307 -45.2188 30.3203 64.9607 2.40359 -42.4356 -0.0589717 9.52304 TIMING: 975000 CPU: 3039.97, 0.00313767/step Wall: 3039.97, 0.00313767/step, 3.50809 hours remaining, 233.027344 MB of memory in use. ENERGY: 975000 3929.8553 20602.2965 14517.7582 240.0890 -202894.5732 2321.7616 0.0000 0.0000 52062.0078 -109220.8048 299.2011 -161282.8126 -108857.4484 299.2040 -200.4792 -168.2955 763634.3867 11.1424 11.1155 PRESSURE: 975200 -14.7641 67.2052 278.986 67.2054 -281.363 126.078 278.986 126.077 -145.014 GPRESSURE: 975200 -63.4476 72.5626 275.141 -66.8932 -168.934 156.915 151.752 73.2668 -136.544 PRESSAVG: 975200 -54.2402 1.07819 44.2752 1.07818 28.9606 -8.87466 44.2752 -8.87474 -3.34664 GPRESSAVG: 975200 -53.2152 -0.810506 43.5592 2.80594 27.296 -8.25364 42.8683 -10.4399 -3.5539 TIMING: 975200 CPU: 3040.6, 0.00313273/step Wall: 3040.6, 0.00313273/step, 3.50239 hours remaining, 233.027344 MB of memory in use. ENERGY: 975200 3998.5956 20561.9616 14440.5281 252.2495 -203083.2066 2414.2579 0.0000 0.0000 52160.8654 -109254.7485 299.7692 -161415.6139 -108884.3875 299.0195 -147.0468 -122.9750 762601.7268 -9.5421 -9.8244 PRESSURE: 975400 25.9155 58.2702 23.2759 58.2704 41.7929 -9.88805 23.2761 -9.8876 90.6196 GPRESSURE: 975400 43.8215 37.8579 116.882 31.3756 122.328 6.65615 54.0887 97.0612 80.4026 PRESSAVG: 975400 8.66775 -52.9725 33.5741 -52.9725 -36.3603 28.8917 33.5741 28.8917 -15.0162 GPRESSAVG: 975400 8.24632 -52.0556 33.9494 -53.8319 -36.7887 28.9797 32.7817 29.3933 -14.1315 TIMING: 975400 CPU: 3041.23, 0.00313712/step Wall: 3041.23, 0.00313712/step, 3.50713 hours remaining, 233.027344 MB of memory in use. ENERGY: 975400 3966.7482 20431.2712 14312.6383 236.0834 -202969.4454 2723.0547 0.0000 0.0000 52055.0452 -109244.6044 299.1611 -161299.6496 -108882.5826 299.0289 52.7760 82.1839 763073.2092 -14.2363 -14.2246 PRESSURE: 975600 -39.7554 154.496 20.6469 154.496 -553.344 91.9073 20.6478 91.906 -307.645 GPRESSURE: 975600 -73.3917 163.642 -41.2518 168.078 -473.544 137.069 -104.768 -10.4446 -257.813 PRESSAVG: 975600 30.8339 -43.0355 27.7041 -43.0355 -28.1546 21.9206 27.7041 21.9207 10.147 GPRESSAVG: 975600 29.776 -41.9727 27.536 -42.8321 -27.0098 21.984 29.2301 21.8824 9.30195 TIMING: 975600 CPU: 3041.86, 0.00314779/step Wall: 3041.86, 0.00314779/step, 3.51888 hours remaining, 233.027344 MB of memory in use. ENERGY: 975600 3991.1752 20377.2877 14408.9673 257.3490 -203314.2953 2794.2618 0.0000 0.0000 52254.6855 -109230.5688 300.3084 -161485.2543 -108853.3561 298.9818 -300.2481 -268.2497 763015.4885 4.2754 4.0227 PRESSURE: 975800 231.821 -200.639 -159.751 -200.639 239.999 -115.721 -159.75 -115.72 -71.2352 GPRESSURE: 975800 282.155 -209.577 -154.805 -198.806 174.341 -45.3291 -140.648 -107.2 -1.72056 PRESSAVG: 975800 0.422018 6.53788 21.8195 6.53782 -27.6305 37.6732 21.8195 37.6732 -3.55879 GPRESSAVG: 975800 0.821023 5.94536 21.7889 6.22809 -28.4482 36.6246 18.7097 37.2156 -3.14955 TIMING: 975800 CPU: 3042.48, 0.00314289/step Wall: 3042.48, 0.00314289/step, 3.51322 hours remaining, 233.027344 MB of memory in use. ENERGY: 975800 4004.6507 20519.0527 14384.4765 244.9879 -203525.0765 3004.9263 0.0000 0.0000 52379.6711 -108987.3113 301.0267 -161366.9825 -108626.4202 299.5658 133.5282 151.5917 761891.5825 -10.2557 -10.2589 PRESSURE: 976000 -251.09 202.17 256.709 202.17 -385.634 126.811 256.71 126.811 -267.975 GPRESSURE: 976000 -159.908 282.85 348.063 115.98 -349.494 34.046 205.116 183.546 -307.148 PRESSAVG: 976000 36.3395 10.5533 29.1827 10.5534 -6.65811 17.0595 29.1828 17.0595 -2.07977 GPRESSAVG: 976000 35.8339 11.5631 29.7127 12.17 -5.47741 15.3825 31.8501 18.6529 -2.68065 TIMING: 976000 CPU: 3043.11, 0.00314886/step Wall: 3043.11, 0.00314886/step, 3.51973 hours remaining, 233.027344 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: 976000 4034.3482 20513.5527 14413.8887 245.5742 -203052.7430 2752.4727 0.0000 0.0000 52276.8416 -108816.0649 300.4357 -161092.9065 -108444.3685 299.7785 -301.5663 -272.1834 764543.7667 9.2005 9.2253 PRESSURE: 976200 -168.574 -107.149 142.401 -107.148 -188.034 109.535 142.4 109.535 -153.179 GPRESSURE: 976200 -98.4363 -50.5887 99.4729 -136.568 -184.49 114.089 176.608 81.7607 -143.662 PRESSAVG: 976200 10.6122 -20.7953 -14.2501 -20.7953 -65.8811 38.0179 -14.2501 38.0179 -20.5029 GPRESSAVG: 976200 11.8122 -21.7286 -15.721 -21.8744 -68.1306 38.2902 -14.8235 38.4703 -19.3181 TIMING: 976200 CPU: 3043.74, 0.00315157/step Wall: 3043.74, 0.00315157/step, 3.52258 hours remaining, 233.027344 MB of memory in use. ENERGY: 976200 3980.0517 20630.0788 14430.3015 262.6345 -203069.1818 2776.4596 0.0000 0.0000 52029.4696 -108960.1861 299.0141 -160989.6557 -108603.6324 299.2242 -169.9292 -142.1961 765321.0743 -25.2573 -25.2122 LDB: ============= START OF LOAD BALANCING ============== 3056.22 LDB: ============== END OF LOAD BALANCING =============== 3056.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3056.23 LDB: ============= START OF LOAD BALANCING ============== 3056.54 LDB: Largest compute 6997 load 0.030890 is 15.8% of average load 0.194941 LDB: Average compute 0.004406 is 2.3% of average load 0.194941 LDB: TIME 3056.54 LOAD: AVG 0.194941 MAX 0.214587 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.332 MB LDB: TIME 3056.55 LOAD: AVG 0.194941 MAX 0.214587 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.531 MB LDB: TIME 3056.55 LOAD: AVG 0.194941 MAX 0.214587 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.531 MB LDB: ============== END OF LOAD BALANCING =============== 3056.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3056.55 PRESSURE: 976400 81.5379 126.03 -150.214 126.029 -32.2047 -164.878 -150.215 -164.878 -171.314 GPRESSURE: 976400 82.7691 56.5062 -208.084 -23.5507 -14.8172 -177.829 -148.556 -84.7739 -120.523 PRESSAVG: 976400 -2.45763 -26.6043 6.55276 -26.6043 6.9351 21.2928 6.55274 21.2928 14.1043 GPRESSAVG: 976400 -2.5968 -26.353 5.88097 -27.2762 8.53269 22.4825 8.24693 19.8791 13.1115 TIMING: 976400 CPU: 3044.39, 0.00321191/step Wall: 3044.39, 0.0032119/step, 3.58984 hours remaining, 233.335938 MB of memory in use. ENERGY: 976400 4041.7335 20749.2323 14446.4257 249.0425 -203289.3541 2913.9804 0.0000 0.0000 52020.8749 -108868.0648 298.9647 -160888.9397 -108508.9743 299.9063 -40.6604 -17.5238 764808.8583 6.1939 6.3491 PRESSURE: 976600 -67.6112 112.38 102.233 112.38 -254.564 -199.684 102.233 -199.683 53.1787 GPRESSURE: 976600 -37.9445 42.5451 87.7191 112.803 -231.712 -213.323 313.286 -192.484 108.253 PRESSAVG: 976600 25.2211 12.5516 -12.4109 12.5515 -16.1843 1.6089 -12.4109 1.60892 -14.1292 GPRESSAVG: 976600 24.7723 13.0251 -11.0983 12.9824 -15.8898 0.826554 -13.3376 1.34558 -13.8186 TIMING: 976600 CPU: 3045.01, 0.0031346/step Wall: 3045.01, 0.0031346/step, 3.50326 hours remaining, 233.335938 MB of memory in use. ENERGY: 976600 4067.6366 20528.3960 14461.7345 266.7052 -203338.0683 2909.4147 0.0000 0.0000 52207.8629 -108896.3184 300.0393 -161104.1813 -108527.3148 300.1452 -89.6656 -53.8011 762873.5227 -1.6974 -1.6454 PRESSURE: 976800 -26.0903 -20.4209 173.168 -20.4217 414.49 144.549 173.169 144.549 -190.492 GPRESSURE: 976800 -6.43731 30.5801 106.809 22.9949 454.834 78.4537 139.585 171.514 -152.374 PRESSAVG: 976800 -43.9689 -32.5702 49.637 -32.5703 8.79685 -30.2094 49.6371 -30.2095 11.6617 GPRESSAVG: 976800 -43.9614 -33.2437 49.0109 -30.847 8.02122 -28.7671 47.5455 -28.3934 12.667 TIMING: 976800 CPU: 3045.64, 0.00313684/step Wall: 3045.64, 0.00313684/step, 3.5056 hours remaining, 233.335938 MB of memory in use. ENERGY: 976800 4005.2003 20502.7025 14446.3125 252.0368 -203187.6731 2794.0814 0.0000 0.0000 52311.7105 -108875.6290 300.6361 -161187.3396 -108501.2360 299.8711 65.9692 98.6742 762824.2188 -7.8368 -7.7577 PRESSURE: 977000 59.6822 -180.561 -41.0729 -180.56 -33.4421 83.7144 -41.0731 83.7148 192.04 GPRESSURE: 977000 140.846 -98.1981 36.4782 -187.84 1.35985 80.1885 -143.609 21.7633 161.078 PRESSAVG: 977000 17.3173 -44.2604 -35.361 -44.2604 -33.4799 38.0057 -35.3609 38.0057 8.70764 GPRESSAVG: 977000 17.933 -45.4689 -34.4993 -46.3501 -32.9695 36.5676 -33.9105 37.7266 7.14781 TIMING: 977000 CPU: 3046.27, 0.00312842/step Wall: 3046.27, 0.00312842/step, 3.49601 hours remaining, 233.335938 MB of memory in use. ENERGY: 977000 4018.3886 20419.1797 14481.5449 243.9863 -203379.6111 2804.8754 0.0000 0.0000 52346.5713 -109065.0648 300.8365 -161411.6361 -108690.4272 299.9202 72.7601 101.0947 762848.8749 -2.4850 -2.6296 PRESSURE: 977200 260.847 -96.2702 103.019 -96.2697 -73.7273 -27.0858 103.019 -27.0862 -113.833 GPRESSURE: 977200 293.815 -141.991 98.4308 -123.733 -93.2899 -31.6209 84.6952 66.9394 -55.1233 PRESSAVG: 977200 52.2453 -64.0986 -22.0991 -64.0986 -24.9901 -28.8506 -22.0992 -28.8507 3.97811 GPRESSAVG: 977200 51.2233 -64.5774 -22.2878 -64.0372 -23.6789 -27.2876 -21.2872 -29.7149 4.00065 TIMING: 977200 CPU: 3046.89, 0.00313546/step Wall: 3046.89, 0.00313546/step, 3.5037 hours remaining, 233.335938 MB of memory in use. ENERGY: 977200 4022.4965 20630.5792 14457.9877 235.3800 -202964.8475 2650.3314 0.0000 0.0000 51957.2329 -109010.8398 298.5989 -160968.0727 -108651.5277 299.3841 24.4289 48.4671 761395.8229 10.4111 10.5150 PRESSURE: 977400 -94.0081 -105.794 76.4192 -105.794 458.612 -285.206 76.4187 -285.207 88.1643 GPRESSURE: 977400 -16.4785 -116.586 174.574 -63.2711 401.131 -176.886 66.4174 -242.037 123.479 PRESSAVG: 977400 16.7103 -56.3857 29.7208 -56.3858 -5.85661 -57.9981 29.7208 -57.998 -0.781176 GPRESSAVG: 977400 17.6474 -54.429 30.2434 -57.5805 -7.58733 -59.1554 29.1356 -60.2999 0.0220465 TIMING: 977400 CPU: 3047.52, 0.00311948/step Wall: 3047.52, 0.00311948/step, 3.48567 hours remaining, 233.335938 MB of memory in use. ENERGY: 977400 4055.1361 20418.7234 14503.4160 257.3607 -203387.5108 2840.0890 0.0000 0.0000 52129.7236 -109183.0621 299.5902 -161312.7856 -108809.2367 299.0009 150.9227 169.3774 760250.8886 3.3575 3.3607 PRESSURE: 977600 -300.239 28.745 79.7981 28.7447 -186.523 296.916 79.7981 296.916 408.103 GPRESSURE: 977600 -215.572 129.173 -11.4087 4.15954 -203.518 234.365 96.8529 298.862 427.67 PRESSAVG: 977600 11.4622 0.622969 -30.2091 0.622978 -18.7731 14.4226 -30.2091 14.4226 -20.6721 GPRESSAVG: 977600 12.0044 -0.608904 -30.5421 1.46102 -18.3476 13.5057 -27.8382 16.7703 -20.6944 TIMING: 977600 CPU: 3048.15, 0.00313803/step Wall: 3048.15, 0.00313803/step, 3.50623 hours remaining, 233.335938 MB of memory in use. ENERGY: 977600 3953.0212 20503.2915 14433.7176 242.4769 -203011.5942 2678.2445 0.0000 0.0000 52048.1729 -109152.6696 299.1216 -161200.8425 -108773.5537 298.8425 -26.2198 2.8597 762828.6988 -9.3277 -9.0125 PRESSURE: 977800 5.50269 131.947 -1.55272 131.947 -45.0059 154.079 -1.55349 154.08 121.15 GPRESSURE: 977800 -15.9572 205.129 -59.9983 81.2714 91.9029 220.408 62.7547 233.314 108.669 PRESSAVG: 977800 -15.5242 22.6223 23.965 22.6223 30.37 -22.4721 23.965 -22.4721 -8.74497 GPRESSAVG: 977800 -16.3903 23.9055 23.6938 22.0187 30.4457 -22.8307 20.7804 -22.9205 -7.95009 TIMING: 977800 CPU: 3048.77, 0.00314901/step Wall: 3048.77, 0.00314901/step, 3.51831 hours remaining, 233.335938 MB of memory in use. ENERGY: 977800 4005.0813 20759.0668 14419.2392 243.4266 -203099.2202 2707.3409 0.0000 0.0000 51933.7737 -109031.2916 298.4641 -160965.0654 -108668.2513 299.0907 27.2157 61.5383 760561.5528 2.0336 2.0351 PRESSURE: 978000 -341.621 29.8755 181.105 29.8762 -560.195 -56.7954 181.106 -56.7947 99.3353 GPRESSURE: 978000 -339.706 60.9816 162.311 83.2168 -483.807 -38.8887 219.854 -62.0329 100.466 PRESSAVG: 978000 -19.0841 -52.4614 -28.1697 -52.4614 7.04507 37.214 -28.1697 37.2141 -6.3141 GPRESSAVG: 978000 -19.343 -53.1428 -30.5883 -52.1343 7.79847 40.0626 -25.0244 36.8265 -6.93949 TIMING: 978000 CPU: 3049.4, 0.00312943/step Wall: 3049.4, 0.00312943/step, 3.49627 hours remaining, 233.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 978000 3970.9532 20615.5579 14415.9405 234.8410 -203000.3276 2418.6574 0.0000 0.0000 52271.3989 -109072.9786 300.4044 -161344.3775 -108711.6058 299.7404 -267.4936 -241.0156 762425.6210 -6.1177 -6.1613 PRESSURE: 978200 -179.894 50.0211 73.6567 50.0209 90.5704 -30.8371 73.656 -30.8374 79.5544 GPRESSURE: 978200 -147.233 72.0487 43.8867 34.4511 116.504 -88.6574 108.287 -79.648 105.275 PRESSAVG: 978200 -22.672 -15.5876 -54.7178 -15.5877 12.9327 25.8181 -54.7178 25.8181 -14.2958 GPRESSAVG: 978200 -22.2829 -15.6127 -51.9802 -17.7634 12.6535 23.6221 -55.272 25.2367 -14.5076 TIMING: 978200 CPU: 3050.03, 0.00314369/step Wall: 3050.03, 0.00314369/step, 3.51203 hours remaining, 233.335938 MB of memory in use. ENERGY: 978200 3945.8628 20478.1411 14424.9783 260.1278 -203173.4591 2763.1722 0.0000 0.0000 52086.9127 -109214.2642 299.3442 -161301.1769 -108844.2129 299.5447 -3.2565 24.8486 762849.0492 -8.0117 -8.0457 PRESSURE: 978400 184.741 -150.365 83.9479 -150.365 -129.834 67.0056 83.949 67.0057 407.264 GPRESSURE: 978400 227.066 -139.633 112.276 -84.206 -138.196 82.6833 29.0465 191.581 447.767 PRESSAVG: 978400 2.24834 -29.8585 -3.18848 -29.8585 38.4074 5.76011 -3.18846 5.76024 19.5366 GPRESSAVG: 978400 1.3057 -30.4688 -1.6319 -27.4041 38.1583 6.3609 -4.64098 7.71518 20.131 TIMING: 978400 CPU: 3050.66, 0.00315787/step Wall: 3050.66, 0.00315787/step, 3.52769 hours remaining, 233.335938 MB of memory in use. ENERGY: 978400 3931.3227 20586.7467 14471.6717 262.9103 -203325.2837 2878.9262 0.0000 0.0000 52334.6446 -108859.0615 300.7679 -161193.7061 -108494.8412 299.4128 154.0569 178.8789 763113.3839 20.0641 19.8650 PRESSURE: 978600 -271.781 -235.955 46.3052 -235.955 7.49629 76.9282 46.3044 76.9274 -225.102 GPRESSURE: 978600 -226.697 -164.09 51.2004 -242.397 107.073 -3.10045 180.951 201.299 -288.992 PRESSAVG: 978600 36.3306 -35.7925 6.46699 -35.7925 -15.6054 17.4278 6.46704 17.4279 -4.54984 GPRESSAVG: 978600 37.9402 -33.9537 4.44064 -36.4006 -16.4833 17.461 4.9244 18.2297 -5.23866 TIMING: 978600 CPU: 3051.29, 0.00313637/step Wall: 3051.29, 0.00313637/step, 3.50349 hours remaining, 233.335938 MB of memory in use. ENERGY: 978600 3951.8719 20400.8174 14432.4462 245.1298 -203276.6567 2918.4506 0.0000 0.0000 52092.7062 -109235.2346 299.3775 -161327.9408 -108879.1537 299.4729 -163.1289 -136.2054 764387.5765 5.3918 5.4061 PRESSURE: 978800 58.7709 -97.1889 15.8673 -97.189 117.51 52.7187 15.8685 52.7181 -159.211 GPRESSURE: 978800 186.47 -60.156 -17.0922 -102.195 81.9646 105.821 36.1498 -64.3442 -177.465 PRESSAVG: 978800 25.6421 -12.6691 51.0938 -12.6692 -22.2784 64.6409 51.0938 64.6409 11.6929 GPRESSAVG: 978800 24.7691 -14.4155 52.3606 -11.5869 -21.9637 64.2433 54.0779 64.954 12.276 TIMING: 978800 CPU: 3051.91, 0.00312947/step Wall: 3051.91, 0.00312947/step, 3.49562 hours remaining, 233.335938 MB of memory in use. ENERGY: 978800 3995.8241 20518.4845 14435.4009 261.2562 -203401.7354 2856.9593 0.0000 0.0000 51987.2678 -109346.5426 298.7715 -161333.8104 -108973.8914 298.8142 5.6900 30.3231 764222.9235 5.0189 5.0271 PRESSURE: 979000 -292.786 172.277 36.965 172.277 -411.74 -2.34906 36.9665 -2.34947 -157.381 GPRESSURE: 979000 -236.281 40.6914 46.5254 171.843 -278.443 9.31921 27.1908 -86.676 -229.937 PRESSAVG: 979000 -5.67821 -4.31625 2.5175 -4.31633 -1.80058 27.2199 2.51747 27.22 6.09138 GPRESSAVG: 979000 -4.84393 -3.48039 -0.131591 -3.74847 -1.26069 26.8304 1.94765 26.3899 5.30228 TIMING: 979000 CPU: 3052.54, 0.00313022/step Wall: 3052.54, 0.00313022/step, 3.49628 hours remaining, 233.335938 MB of memory in use. ENERGY: 979000 4081.1815 20551.4596 14409.4844 254.7308 -203340.1583 2731.0070 0.0000 0.0000 51905.6593 -109406.6357 298.3025 -161312.2951 -109049.0564 298.4624 -287.3023 -248.2204 764512.6530 -0.4625 -0.2674 PRESSURE: 979200 -232.991 -46.7408 -129.173 -46.7412 57.8181 12.5401 -129.173 12.5398 -186.905 GPRESSURE: 979200 -160.386 -84.8463 -136.831 -2.47274 -38.3254 59.5791 -55.7795 37.9077 -80.8826 PRESSAVG: 979200 10.8793 -12.2183 -1.47601 -12.2182 -13.2486 -4.28883 -1.476 -4.28876 -8.42214 GPRESSAVG: 979200 11.1397 -13.4107 0.373407 -15.7122 -13.6972 -4.01655 -6.102 -4.20166 -8.3966 TIMING: 979200 CPU: 3053.17, 0.00313334/step Wall: 3053.17, 0.00313334/step, 3.49959 hours remaining, 233.335938 MB of memory in use. ENERGY: 979200 3988.4206 20637.8569 14396.5944 238.4993 -203345.4589 2682.0642 0.0000 0.0000 52147.4396 -109254.5840 299.6921 -161402.0236 -108890.9286 298.6825 -120.6927 -93.1981 764301.4509 -3.5971 -3.6514 PRESSURE: 979400 -243.599 162.061 -32.3022 162.061 -401.677 -92.815 -32.3019 -92.8151 357.744 GPRESSURE: 979400 -186.996 256.448 -20.2583 115.693 -326.306 -41.1222 -163.798 -44.6598 299.225 PRESSAVG: 979400 -90.5733 -17.2858 24.3779 -17.2859 25.7297 26.1301 24.3779 26.13 -23.4536 GPRESSAVG: 979400 -90.8995 -17.8538 23.7017 -13.4342 25.5289 26.7606 28.694 23.8723 -23.0408 TIMING: 979400 CPU: 3053.79, 0.00312577/step Wall: 3053.79, 0.00312577/step, 3.49097 hours remaining, 233.335938 MB of memory in use. ENERGY: 979400 3998.2025 20635.8594 14432.0766 246.7176 -202773.4745 2521.6270 0.0000 0.0000 51756.5563 -109182.4351 297.4456 -160938.9914 -108825.1081 298.7527 -95.8439 -71.3591 763864.6923 -29.4324 -29.4705 PRESSURE: 979600 -258.163 -4.29904 -197.284 -4.29897 -199.813 -281.885 -197.284 -281.885 240.089 GPRESSURE: 979600 -168.481 111.589 -95.455 -91.8867 -76.9377 -227.544 -13.9859 -272.282 114.467 PRESSAVG: 979600 5.99046 -37.8338 -88.6466 -37.8339 3.18642 -6.92725 -88.6467 -6.92727 -8.71998 GPRESSAVG: 979600 5.77661 -34.9943 -86.0409 -39.9078 4.57143 -7.39306 -90.8264 -4.21066 -10.1424 TIMING: 979600 CPU: 3054.42, 0.0031237/step Wall: 3054.42, 0.0031237/step, 3.48847 hours remaining, 233.335938 MB of memory in use. ENERGY: 979600 4077.5848 20745.5187 14407.8606 256.6959 -203175.8159 2555.3054 0.0000 0.0000 52033.0630 -109099.7874 299.0347 -161132.8504 -108737.5758 299.4063 -72.6292 -43.6506 762235.1770 0.1523 0.0685 PRESSURE: 979800 -206.541 36.0899 48.3585 36.0892 1.37432 194.458 48.3591 194.458 -173.585 GPRESSURE: 979800 -204.091 15.5911 120.056 101.612 63.0706 171.858 -60.2524 204.991 -142.565 PRESSAVG: 979800 24.515 -30.7473 -8.58508 -30.7473 -6.16676 -26.1726 -8.58509 -26.1725 -11.1204 GPRESSAVG: 979800 23.4951 -33.5364 -8.84083 -29.8161 -7.01683 -26.4355 -6.90177 -26.67 -9.08915 TIMING: 979800 CPU: 3055.04, 0.00313149/step Wall: 3055.04, 0.00313149/step, 3.497 hours remaining, 233.335938 MB of memory in use. ENERGY: 979800 4055.5351 20552.3556 14460.9958 242.6459 -203533.7863 2868.2283 0.0000 0.0000 52199.3897 -109154.6359 299.9906 -161354.0256 -108787.3326 298.9549 -126.2507 -94.5284 761117.9466 2.4093 2.4630 PRESSURE: 980000 231.047 76.6361 -142.815 76.6361 -162.73 -69.8154 -142.814 -69.8141 450.946 GPRESSURE: 980000 246.802 169.845 -118.98 93.3835 -59.3276 -85.6211 -211.861 -108.36 423.786 PRESSAVG: 980000 42.5398 45.1485 -15.2774 45.1485 -51.6626 40.1657 -15.2775 40.1656 16.4389 GPRESSAVG: 980000 44.0809 46.7555 -16.1455 44.4454 -51.6947 39.9091 -17.1209 39.9337 14.9525 TIMING: 980000 CPU: 3055.67, 0.00312952/step Wall: 3055.67, 0.00312952/step, 3.49463 hours remaining, 233.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 980000 4022.4617 20522.3734 14373.2315 248.7790 -202949.8521 2609.7105 0.0000 0.0000 52015.7994 -109157.4966 298.9355 -161173.2960 -108795.7013 298.6455 173.0878 203.7536 761700.0763 2.4387 2.4462 PRESSURE: 980200 -19.272 -56.6922 72.3645 -56.6924 269.49 -32.5172 72.3645 -32.5174 -356.349 GPRESSURE: 980200 20.0465 13.2222 100.088 6.7239 237.24 -8.96591 123.901 30.4414 -273.181 PRESSAVG: 980200 33.8737 26.2297 -28.0014 26.2297 5.86131 -48.1748 -28.0014 -48.1748 0.548661 GPRESSAVG: 980200 32.5199 26.3104 -30.8189 25.3933 6.69864 -48.5966 -26.7887 -47.9143 1.36315 TIMING: 980200 CPU: 3056.3, 0.00313891/step Wall: 3056.3, 0.00313891/step, 3.50494 hours remaining, 233.335938 MB of memory in use. ENERGY: 980200 4027.8836 20633.0489 14442.8109 249.6767 -203017.9433 2668.2680 0.0000 0.0000 51955.9466 -109040.3087 298.5915 -160996.2553 -108678.7929 298.9055 -35.3769 -5.2983 764259.8288 13.4279 13.5272 LDB: ============= START OF LOAD BALANCING ============== 3068.78 LDB: ============== END OF LOAD BALANCING =============== 3068.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3068.78 LDB: ============= START OF LOAD BALANCING ============== 3069.09 LDB: Largest compute 7059 load 0.030421 is 15.6% of average load 0.194926 LDB: Average compute 0.004393 is 2.3% of average load 0.194926 LDB: TIME 3069.09 LOAD: AVG 0.194926 MAX 0.213527 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.359 MB LDB: TIME 3069.1 LOAD: AVG 0.194926 MAX 0.213527 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.359 MB LDB: TIME 3069.1 LOAD: AVG 0.194926 MAX 0.213527 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.359 MB LDB: ============== END OF LOAD BALANCING =============== 3069.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3069.1 PRESSURE: 980400 -89.1079 77.9887 179.119 77.9876 -336.533 -133.402 179.119 -133.402 205.676 GPRESSURE: 980400 -84.8651 -3.81004 240.603 50.1635 -195.957 -129.508 116.554 -59.6337 162.523 PRESSAVG: 980400 19.1838 -23.1977 18.5398 -23.1977 -31.4846 -3.22039 18.5399 -3.22044 16.1577 GPRESSAVG: 980400 19.6246 -26.1995 20.9733 -21.5143 -31.8743 -1.40365 19.1737 -2.20236 16.75 TIMING: 980400 CPU: 3056.94, 0.00319894/step Wall: 3056.94, 0.00319894/step, 3.57179 hours remaining, 234.878906 MB of memory in use. ENERGY: 980400 3999.8278 20629.6098 14397.9831 234.3074 -203048.4628 2555.9874 0.0000 0.0000 52129.5770 -109101.1704 299.5894 -161230.7473 -108739.6598 299.3419 -73.3218 -39.4329 762119.2298 1.2856 1.5001 PRESSURE: 980600 -461.522 -73.5501 109.074 -73.5502 -570.056 -131.69 109.073 -131.689 171.683 GPRESSURE: 980600 -475.378 -122.543 45.3579 -63.3916 -455.705 -125.725 -76.7563 -107.659 149.805 PRESSAVG: 980600 30.0675 -37.8964 18.7648 -37.8963 -25.9057 20.073 18.7648 20.073 3.3799 GPRESSAVG: 980600 30.4319 -37.9709 16.8298 -38.5821 -26.271 17.4256 19.3334 20.0824 3.55325 TIMING: 980600 CPU: 3057.56, 0.00313429/step Wall: 3057.56, 0.00313429/step, 3.49944 hours remaining, 234.878906 MB of memory in use. ENERGY: 980600 4004.4791 20544.0025 14394.3373 261.4343 -202974.3165 2379.5667 0.0000 0.0000 51904.4040 -109486.0925 298.2953 -161390.4965 -109122.1511 298.5753 -286.6316 -260.4264 762867.8842 2.5139 2.5714 PRESSURE: 980800 44.4807 -22.6928 -143.765 -22.6921 308.739 -48.3756 -143.765 -48.3758 374.329 GPRESSURE: 980800 213.151 -53.433 -104.135 -141.847 290.083 -61.1529 -55.0133 -87.7851 315.57 PRESSAVG: 980800 25.6871 -31.4002 -16.9516 -31.4002 -16.4999 -51.4186 -16.9516 -51.4186 -5.80461 GPRESSAVG: 980800 25.0617 -29.0833 -15.8116 -32.3763 -15.4952 -48.6909 -16.4808 -52.4448 -6.7223 TIMING: 980800 CPU: 3058.19, 0.00312705/step Wall: 3058.19, 0.00312705/step, 3.49118 hours remaining, 234.878906 MB of memory in use. ENERGY: 980800 3985.6954 20433.6693 14423.9673 238.1035 -203723.9412 3010.2635 0.0000 0.0000 52030.1549 -109602.0873 299.0180 -161632.2422 -109234.4571 298.6568 242.5163 272.9347 760037.5891 1.1275 0.9481 PRESSURE: 981000 222.262 52.2953 9.22498 52.2954 -53.0949 208.297 9.22438 208.297 117.026 GPRESSURE: 981000 140.115 166.128 141.273 -25.6417 106.761 265.674 -23.4685 317.143 151.102 PRESSAVG: 981000 -11.8776 15.9374 18.1934 15.9375 30.6376 45.5125 18.1935 45.5125 -18.247 GPRESSAVG: 981000 -11.6644 14.497 19.6407 16.905 30.2911 44.2056 15.5185 47.3988 -18.3035 TIMING: 981000 CPU: 3058.82, 0.00313613/step Wall: 3058.82, 0.00313613/step, 3.50114 hours remaining, 234.878906 MB of memory in use. ENERGY: 981000 4020.8539 20666.7532 14402.2092 261.5332 -203527.9411 2909.0404 0.0000 0.0000 51724.6539 -109542.8973 297.2623 -161267.5512 -109189.1575 298.1958 95.3980 132.6594 760647.2687 0.1710 0.1077 PRESSURE: 981200 121.444 180.012 -80.5493 180.012 3.61954 -229.434 -80.5495 -229.434 180.765 GPRESSURE: 981200 240.998 70.3972 -98.0841 165.697 30.6315 -161.154 -131.317 -249.762 97.2414 PRESSAVG: 981200 17.4379 0.360484 -72.8568 0.360449 2.65545 0.305085 -72.8568 0.304988 10.3146 GPRESSAVG: 981200 17.541 -0.282573 -74.0445 0.327408 1.98598 0.332939 -72.0519 -0.0546646 11.3961 TIMING: 981200 CPU: 3059.44, 0.00312561/step Wall: 3059.44, 0.00312561/step, 3.48922 hours remaining, 234.878906 MB of memory in use. ENERGY: 981200 3953.0723 20402.2190 14386.5206 241.4824 -203077.0336 2679.3572 0.0000 0.0000 51991.6959 -109422.6863 298.7970 -161414.3822 -109048.5534 298.5090 101.9430 122.9569 762798.9123 10.1360 10.3077 PRESSURE: 981400 -130.226 -272.237 91.5133 -272.237 12.5629 101.252 91.5132 101.252 236.045 GPRESSURE: 981400 8.91504 -243.822 10.27 -79.2701 41.5566 -29.2031 25.8902 12.3627 150.135 PRESSAVG: 981400 16.4558 -35.3244 -3.6682 -35.3245 -3.86378 -40.7126 -3.66822 -40.7126 -2.73559 GPRESSAVG: 981400 18.0448 -35.6653 -2.87009 -35.1177 -3.51785 -41.7781 -4.45543 -40.6243 -4.34452 TIMING: 981400 CPU: 3060.07, 0.00311999/step Wall: 3060.07, 0.00311999/step, 3.48278 hours remaining, 234.878906 MB of memory in use. ENERGY: 981400 4049.7690 20514.4346 14373.7975 270.1634 -203311.2805 2763.4147 0.0000 0.0000 52089.2963 -109250.4050 299.3579 -161339.7013 -108888.7060 298.6918 39.4606 66.8690 762405.9180 3.2855 3.3941 PRESSURE: 981600 359.253 55.8055 109.472 55.805 185.108 122.621 109.472 122.621 6.89265 GPRESSURE: 981600 317.337 60.4408 115.234 96.1316 226.142 73.3918 89.2452 75.3546 107.752 PRESSAVG: 981600 81.3019 -15.7858 32.136 -15.7858 -54.6792 -40.0765 32.136 -40.0765 3.48487 GPRESSAVG: 981600 78.7104 -14.2915 30.7372 -14.7364 -54.9121 -40.1786 33.3464 -40.1406 5.66487 TIMING: 981600 CPU: 3060.69, 0.00313031/step Wall: 3060.69, 0.00313031/step, 3.49413 hours remaining, 234.878906 MB of memory in use. ENERGY: 981600 3948.4542 20575.5568 14443.0789 258.4111 -203343.5121 2924.1717 0.0000 0.0000 51798.7722 -109395.0672 297.6883 -161193.8395 -109042.6063 298.8141 183.7514 217.0769 763189.0656 10.0358 9.8211 PRESSURE: 981800 219.004 -118.034 113.831 -118.035 -105.375 -83.5284 113.831 -83.5272 172.986 GPRESSURE: 981800 188.818 -43.6845 154.547 29.3249 -69.1784 -45.5471 103.944 -45.6912 246.064 PRESSAVG: 981800 -13.9023 -71.2966 9.56571 -71.2967 -13.5759 -14.1091 9.56571 -14.1091 -0.888244 GPRESSAVG: 981800 -12.9725 -72.1603 9.08547 -70.9135 -12.5752 -15.0344 9.02918 -14.2132 -2.97447 TIMING: 981800 CPU: 3061.32, 0.00315548/step Wall: 3061.32, 0.00315548/step, 3.52205 hours remaining, 234.878906 MB of memory in use. ENERGY: 981800 3987.4742 20500.0877 14440.9463 252.6723 -203275.5857 2930.1424 0.0000 0.0000 51984.0203 -109180.2425 298.7529 -161164.2628 -108822.1792 298.3109 95.5385 121.9011 764478.5587 -9.4555 -9.5074 PRESSURE: 982000 13.7609 -248.059 -77.0904 -248.058 -7.39391 57.5363 -77.0898 57.5374 36.6557 GPRESSURE: 982000 73.024 -257.215 -126.553 -345.07 -0.605514 64.437 -45.6824 -25.9597 65.3237 PRESSAVG: 982000 27.7237 -5.64346 -15.2738 -5.64347 -16.1668 -16.1792 -15.2738 -16.1792 -26.731 GPRESSAVG: 982000 27.9137 -4.20793 -15.7241 -6.6547 -17.6491 -14.4405 -15.2309 -16.574 -25.714 TIMING: 982000 CPU: 3061.95, 0.0031454/step Wall: 3061.95, 0.0031454/step, 3.51062 hours remaining, 234.878906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 982000 3989.4229 20532.6425 14417.3370 240.1725 -203328.4561 2874.6003 0.0000 0.0000 52360.8877 -108913.3933 300.9187 -161274.2810 -108538.5691 299.2418 14.3409 45.9140 763157.1488 -5.0580 -5.1498 PRESSURE: 982200 31.9487 79.9769 169.055 79.978 78.3021 88.1872 169.055 88.187 -108.302 GPRESSURE: 982200 53.4016 45.2459 189.373 39.4935 71.6859 124.816 168.926 69.3327 -41.6975 PRESSAVG: 982200 50.4727 -20.9991 9.40428 -20.9991 -39.0664 19.8346 9.40432 19.8346 -15.9573 GPRESSAVG: 982200 48.816 -20.3183 11.9233 -21.7233 -38.5665 19.1465 9.04985 18.8453 -14.9811 TIMING: 982200 CPU: 3062.58, 0.00313267/step Wall: 3062.58, 0.00313267/step, 3.49623 hours remaining, 234.878906 MB of memory in use. ENERGY: 982200 4006.8410 20348.1702 14544.6191 258.0923 -203258.4802 2944.9108 0.0000 0.0000 52094.2057 -109061.6410 299.3861 -161155.8467 -108708.0034 299.7886 0.6497 27.7967 763378.7097 -1.5170 -1.5772 PRESSURE: 982400 280.484 127.696 52.7488 127.696 -113.87 -79.2399 52.7491 -79.2409 41.7567 GPRESSURE: 982400 238.777 68.5959 41.7215 206.754 -28.4383 -33.6772 -15.6194 -41.3669 85.5948 PRESSAVG: 982400 -11.3237 -38.5105 33.9853 -38.5105 -20.3319 -27.0851 33.9853 -27.085 -5.22716 GPRESSAVG: 982400 -9.51186 -39.3765 32.0704 -38.418 -21.9152 -27.0704 35.3882 -24.3999 -5.22322 TIMING: 982400 CPU: 3063.21, 0.00316424/step Wall: 3063.21, 0.00316424/step, 3.53129 hours remaining, 234.878906 MB of memory in use. ENERGY: 982400 4045.8370 20514.2871 14448.3061 230.4299 -203219.4561 2848.6212 0.0000 0.0000 51791.2566 -109340.7182 297.6451 -161131.9749 -108986.4894 298.8714 69.4568 98.6446 763827.7645 -12.2942 -12.2167 PRESSURE: 982600 -353.226 -126.609 213.057 -126.609 -203.402 -163.773 213.056 -163.773 -247.539 GPRESSURE: 982600 -344.839 -106.449 204.175 -139.102 -96.2382 -183.418 90.1368 -98.304 -271.686 PRESSAVG: 982600 37.8737 -6.97321 -29.4314 -6.97319 -22.341 -20.1884 -29.4314 -20.1884 3.21594 GPRESSAVG: 982600 38.043 -9.01092 -27.9519 -5.8537 -20.9007 -19.2918 -30.7009 -21.0364 1.35036 TIMING: 982600 CPU: 3063.84, 0.00315607/step Wall: 3063.84, 0.00315607/step, 3.52199 hours remaining, 234.878906 MB of memory in use. ENERGY: 982600 3990.3979 20398.0547 14438.2523 259.2068 -203118.2710 2490.4020 0.0000 0.0000 52214.1029 -109327.8543 300.0752 -161541.9571 -108965.7917 299.5289 -268.0557 -237.5877 762485.3066 6.2495 6.1642 PRESSURE: 982800 34.7461 -11.1818 133.813 -11.181 -308.072 96.0723 133.813 96.0718 -428.432 GPRESSURE: 982800 65.3979 -62.4466 156.42 -52.0316 -319.124 26.2861 98.2368 88.8367 -354.734 PRESSAVG: 982800 34.5559 31.7158 -7.15864 31.7157 -30.7608 -54.4014 -7.15864 -54.4014 15.7467 GPRESSAVG: 982800 33.7556 33.5755 -7.43727 28.8773 -30.8919 -53.8098 -7.80842 -54.949 16.6051 TIMING: 982800 CPU: 3064.47, 0.00314541/step Wall: 3064.47, 0.00314541/step, 3.50993 hours remaining, 234.878906 MB of memory in use. ENERGY: 982800 4046.2864 20414.4489 14376.8932 226.7611 -203402.0637 2911.3531 0.0000 0.0000 52017.0864 -109409.2345 298.9429 -161426.3210 -109053.4361 299.1737 -233.9194 -202.8199 763443.2984 6.5139 6.4896 PRESSURE: 983000 30.9804 -386.958 -203.195 -386.958 -14.9566 -55.861 -203.195 -55.8609 -103.217 GPRESSURE: 983000 48.6657 -372.853 -165.138 -408.85 71.5907 71.9277 -143.399 -134.997 -129.34 PRESSAVG: 983000 13.2611 2.81672 48.7905 2.81665 -39.022 -4.63026 48.7905 -4.63023 -33.1245 GPRESSAVG: 983000 12.5943 2.14705 47.9811 6.88258 -39.5384 -5.99161 49.6295 -3.89041 -32.2676 TIMING: 983000 CPU: 3065.1, 0.00314734/step Wall: 3065.1, 0.00314734/step, 3.51191 hours remaining, 234.878906 MB of memory in use. ENERGY: 983000 3930.4829 20537.0835 14533.0375 254.2177 -203494.8789 2947.1571 0.0000 0.0000 52094.0456 -109198.8546 299.3852 -161292.9001 -108849.5690 298.4869 -29.0644 -3.0279 763883.3306 -19.6285 -19.7373 PRESSURE: 983200 -138.601 -87.8034 -9.97621 -87.8037 -83.2202 -12.088 -9.97748 -12.0882 586.923 GPRESSURE: 983200 -73.4906 -24.7347 -42.5405 -80.2168 -24.2351 -92.3436 99.6436 -79.5543 544.658 PRESSAVG: 983200 25.3053 3.21216 -31.3416 3.2121 -14.5643 11.1914 -31.3416 11.1914 -6.90792 GPRESSAVG: 983200 26.1457 3.74808 -31.8683 0.998474 -14.8482 12.0961 -30.2604 9.08663 -7.57085 TIMING: 983200 CPU: 3065.73, 0.00314342/step Wall: 3065.73, 0.00314342/step, 3.50736 hours remaining, 234.878906 MB of memory in use. ENERGY: 983200 4005.0093 20322.3987 14458.8207 253.8705 -203228.0591 3001.2894 0.0000 0.0000 52083.9501 -109102.7204 299.3272 -161186.6706 -108738.2357 299.2124 121.7009 148.9774 761941.3590 1.2777 1.2422 PRESSURE: 983400 -90.5959 -140.881 43.1967 -140.882 -314.781 378.332 43.1967 378.331 12.8807 GPRESSURE: 983400 -157.341 -56.281 80.744 -134.995 -154.45 380.363 127.181 351.344 9.37965 PRESSAVG: 983400 5.32078 -14.8322 3.49605 -14.8322 -40.7476 32.7994 3.49604 32.7995 -11.4977 GPRESSAVG: 983400 3.99524 -15.7582 3.75638 -13.4439 -39.4333 32.889 3.08584 33.5613 -11.4448 TIMING: 983400 CPU: 3066.35, 0.00312709/step Wall: 3066.35, 0.00312709/step, 3.48896 hours remaining, 234.878906 MB of memory in use. ENERGY: 983400 4056.3665 20619.2939 14391.2770 254.1412 -202957.6887 2572.8445 0.0000 0.0000 52092.8092 -108970.9563 299.3781 -161063.7654 -108615.3084 299.2706 -130.8321 -100.8036 764774.0482 -15.6415 -15.6276 PRESSURE: 983600 64.0572 -79.9668 189.169 -79.9665 36.086 20.469 189.169 20.4694 -189.35 GPRESSURE: 983600 -8.78756 -68.274 169.557 -89.3246 98.3219 -17.2552 112.54 158.208 -76.5524 PRESSAVG: 983600 8.51142 6.67058 13.7504 6.67061 -49.7164 29.5475 13.7505 29.5474 1.7266 GPRESSAVG: 983600 9.79675 6.37082 14.965 6.37343 -51.2564 28.8051 12.3706 30.6118 1.58816 TIMING: 983600 CPU: 3066.98, 0.00312613/step Wall: 3066.98, 0.00312613/step, 3.48772 hours remaining, 234.878906 MB of memory in use. ENERGY: 983600 4002.5596 20494.4917 14484.8330 235.3418 -203494.8294 3117.4460 0.0000 0.0000 52205.8036 -108954.3536 300.0275 -161160.1572 -108588.5736 300.0001 -29.7355 4.3273 763181.1883 -13.1595 -13.2905 PRESSURE: 983800 -159.57 109.721 -42.1705 109.72 -81.7127 193.491 -42.1703 193.49 442.032 GPRESSURE: 983800 -105.099 154.343 -62.8347 13.9648 -111.838 83.6708 -48.3226 272.463 496.217 PRESSAVG: 983800 9.64011 -28.0605 22.9556 -28.0604 -16.0009 -32.0353 22.9557 -32.0354 0.514965 GPRESSAVG: 983800 9.46442 -27.3347 22.6186 -26.5741 -16.1147 -34.5586 22.4322 -30.7204 0.47005 TIMING: 983800 CPU: 3067.61, 0.0031616/step Wall: 3067.61, 0.0031616/step, 3.52712 hours remaining, 234.878906 MB of memory in use. ENERGY: 983800 4058.1652 20450.9305 14419.6748 265.3846 -203113.7329 2876.6878 0.0000 0.0000 52117.3692 -108925.5207 299.5192 -161042.8899 -108575.0503 299.4960 66.9163 93.0935 764658.2214 -1.9486 -2.0601 PRESSURE: 984000 -160.513 251.89 -57.6848 251.89 -128.165 41.4198 -57.6851 41.4202 -339.727 GPRESSURE: 984000 -49.0765 94.5454 -35.7175 228.12 -176.149 40.909 -59.0972 -65.2395 -310.188 PRESSAVG: 984000 -12.2452 10.3675 78.6705 10.3675 3.92914 14.0346 78.6705 14.0346 -22.4006 GPRESSAVG: 984000 -11.9693 10.2228 76.225 8.98585 3.86346 16.8622 80.5985 14.3552 -21.9847 TIMING: 984000 CPU: 3068.24, 0.00314587/step Wall: 3068.24, 0.00314587/step, 3.50939 hours remaining, 234.878906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 984000 4072.0348 20448.5440 14422.8776 247.9864 -203171.8420 2859.5220 0.0000 0.0000 52385.9354 -108734.9419 301.0627 -161120.8773 -108364.6572 299.6125 -209.4683 -178.4714 764789.5734 -10.2389 -10.0302 PRESSURE: 984200 -150.041 -158.504 85.5519 -158.503 -191.394 -18.1699 85.5508 -18.1692 108.506 GPRESSURE: 984200 -84.7649 -214.138 86.6376 -34.5075 -138.845 34.1584 129.983 -40.0516 76.2192 PRESSAVG: 984200 -16.8268 -3.03931 17.8539 -3.03931 24.6757 -55.1426 17.8538 -55.1426 5.08098 GPRESSAVG: 984200 -17.0502 -4.32018 20.8739 -2.40118 25.0555 -55.2597 17.8289 -57.7794 4.34519 TIMING: 984200 CPU: 3068.87, 0.00314135/step Wall: 3068.87, 0.00314135/step, 3.50417 hours remaining, 234.878906 MB of memory in use. ENERGY: 984200 3990.7489 20549.2928 14495.6921 254.7646 -203028.6848 2719.0877 0.0000 0.0000 52237.4883 -108781.6104 300.2096 -161019.0986 -108410.3831 299.5593 -77.6430 -49.1302 763832.0981 4.3100 4.1168 LDB: ============= START OF LOAD BALANCING ============== 3081.35 LDB: ============== END OF LOAD BALANCING =============== 3081.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3081.35 LDB: ============= START OF LOAD BALANCING ============== 3081.67 LDB: Largest compute 7059 load 0.031437 is 16.1% of average load 0.194983 LDB: Average compute 0.004418 is 2.3% of average load 0.194983 LDB: TIME 3081.67 LOAD: AVG 0.194983 MAX 0.217041 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.848 MB LDB: TIME 3081.67 LOAD: AVG 0.194983 MAX 0.217041 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.047 MB LDB: TIME 3081.67 LOAD: AVG 0.194983 MAX 0.217041 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.047 MB LDB: ============== END OF LOAD BALANCING =============== 3081.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3081.68 PRESSURE: 984400 144.821 157.462 1.43961 157.463 74.8475 2.9291 1.441 2.92922 -226.986 GPRESSURE: 984400 189.164 159.555 68.3344 174.038 58.3409 79.7539 -83.0629 -41.8408 -182.922 PRESSAVG: 984400 35.7307 -1.06378 28.5591 -1.06375 -13.7186 3.80689 28.5591 3.80687 -0.451813 GPRESSAVG: 984400 35.9932 1.11079 27.3898 -0.859787 -14.037 2.8247 30.4438 4.36937 -0.837223 TIMING: 984400 CPU: 3069.51, 0.00320611/step Wall: 3069.51, 0.00320611/step, 3.57624 hours remaining, 234.878906 MB of memory in use. ENERGY: 984400 4066.8074 20645.9024 14417.8195 237.5602 -203060.3842 2885.9083 0.0000 0.0000 52158.3979 -108647.9886 299.7550 -160806.3865 -108292.3258 300.4043 -2.4392 21.5278 763700.1768 7.1868 7.0397 PRESSURE: 984600 -153.062 192.448 50.2743 192.448 -284.517 -53.3524 50.2761 -53.3529 298.541 GPRESSURE: 984600 -71.1784 221.993 66.4353 16.211 -231.048 -82.25 72.9362 -57.6591 247.462 PRESSAVG: 984600 -34.0058 -19.8569 13.681 -19.8568 9.96524 -2.74476 13.6811 -2.74479 -6.17691 GPRESSAVG: 984600 -33.5336 -20.7322 14.3537 -21.4688 9.41227 -2.71687 10.7294 -1.65298 -5.80262 TIMING: 984600 CPU: 3070.14, 0.00314524/step Wall: 3070.14, 0.00314524/step, 3.50817 hours remaining, 234.878906 MB of memory in use. ENERGY: 984600 4018.7402 20687.0156 14450.5295 230.5595 -202764.6150 2453.7856 0.0000 0.0000 52283.7893 -108640.1953 300.4757 -160923.9846 -108279.0945 299.8826 -46.3464 -18.2546 764198.6187 -10.0725 -9.9747 PRESSURE: 984800 137.719 -106.14 -70.3124 -106.14 183.318 189.188 -70.3133 189.186 346.814 GPRESSURE: 984800 183.337 -129.417 -104.742 -149.187 188.07 166.494 -23.5187 40.1876 371.903 PRESSAVG: 984800 -23.8357 0.413112 -11.0928 0.413105 -32.9043 8.27965 -11.0928 8.27964 -13.7533 GPRESSAVG: 984800 -24.9485 -1.32909 -10.4625 0.827477 -31.7624 8.31701 -12.0167 7.56596 -13.7516 TIMING: 984800 CPU: 3070.77, 0.00312779/step Wall: 3070.77, 0.00312779/step, 3.48853 hours remaining, 234.878906 MB of memory in use. ENERGY: 984800 3914.5523 20488.4136 14401.9004 256.6917 -203132.3121 2949.6030 0.0000 0.0000 52329.3273 -108791.8238 300.7374 -161121.1511 -108422.6595 300.0645 222.6167 247.7701 763035.8649 -23.4977 -23.4875 PRESSURE: 985000 -329.48 28.3761 91.9297 28.3753 142.029 -5.20165 91.9298 -5.20171 25.1406 GPRESSURE: 985000 -339.031 72.9309 -8.23923 -4.21986 222.899 26.5074 240.536 -27.3066 52.5289 PRESSAVG: 985000 -14.9842 51.569 0.33659 51.569 14.8072 31.901 0.336615 31.901 14.0057 GPRESSAVG: 985000 -13.9855 52.6673 0.180478 53.6778 14.3632 31.662 1.34818 31.9684 13.3756 TIMING: 985000 CPU: 3071.39, 0.00312605/step Wall: 3071.39, 0.00312605/step, 3.48641 hours remaining, 234.878906 MB of memory in use. ENERGY: 985000 3963.0983 20639.9944 14462.5430 247.7781 -203277.9191 2777.9800 0.0000 0.0000 52381.9696 -108804.5558 301.0399 -161186.5254 -108446.0653 299.8862 -54.1034 -21.2010 763566.4893 4.6096 4.5844 PRESSURE: 985200 -193.405 127.789 193.182 127.79 -409.59 105.434 193.182 105.434 -158.628 GPRESSURE: 985200 -270.179 205.455 209.512 125.119 -266.654 102.094 133.293 122.614 -123.044 PRESSAVG: 985200 -33.3396 28.163 41.5481 28.163 60.8662 29.7175 41.5482 29.7175 23.7793 GPRESSAVG: 985200 -34.9461 28.7557 39.883 27.051 61.6311 32.3577 43.909 27.2716 24.2818 TIMING: 985200 CPU: 3072.02, 0.00314605/step Wall: 3072.02, 0.00314605/step, 3.50855 hours remaining, 234.878906 MB of memory in use. ENERGY: 985200 4084.6343 20689.5962 14471.0004 238.1345 -202852.4509 2602.5469 0.0000 0.0000 51854.1480 -108912.3906 298.0065 -160766.5387 -108552.9777 299.5866 -253.8744 -219.9588 762809.6767 17.1020 16.9889 PRESSURE: 985400 164.255 -186.466 -237.206 -186.465 -201.043 -93.8506 -237.207 -93.8505 329.845 GPRESSURE: 985400 187.317 -166.766 -206.634 -86.6653 -166.832 2.19232 -332.082 -219.589 361.431 PRESSAVG: 985400 -28.7544 -17.8753 -26.287 -17.8754 45.9069 22.9362 -26.2869 22.9361 -14.8281 GPRESSAVG: 985400 -27.8074 -16.8685 -25.1912 -18.9131 44.6341 21.3934 -28.3624 23.0293 -13.8001 TIMING: 985400 CPU: 3072.65, 0.0031315/step Wall: 3072.65, 0.0031315/step, 3.49214 hours remaining, 234.878906 MB of memory in use. ENERGY: 985400 4080.9443 20555.8357 14489.9070 254.1715 -203107.6491 2760.7130 0.0000 0.0000 52304.2436 -108661.8340 300.5932 -160966.0775 -108286.7608 299.7727 97.6857 127.3053 763561.2496 0.7748 1.0089 PRESSURE: 985600 -57.9697 -38.5753 214.435 -38.5749 -224.879 -17.1256 214.434 -17.1258 -31.4664 GPRESSURE: 985600 -126.252 52.6067 203.757 -67.7463 -141.392 -87.9973 328.098 -4.0749 15.3142 PRESSAVG: 985600 -13.6784 -28.2755 -18.1097 -28.2755 -13.0394 12.2155 -18.1096 12.2155 -6.16738 GPRESSAVG: 985600 -14.2893 -27.4394 -19.267 -29.194 -12.0453 11.9631 -18.5276 13.9958 -7.05128 TIMING: 985600 CPU: 3073.28, 0.00316249/step Wall: 3073.28, 0.0031625/step, 3.52653 hours remaining, 234.878906 MB of memory in use. ENERGY: 985600 3995.5281 20700.5256 14411.6651 242.8951 -203018.8614 2611.6837 0.0000 0.0000 52177.3998 -108879.1640 299.8642 -161056.5638 -108522.4762 300.3040 -104.7717 -84.1099 762326.7866 -10.9617 -11.1286 PRESSURE: 985800 245.421 -198.294 334.828 -198.295 -210.889 -111.253 334.827 -111.252 -87.4472 GPRESSURE: 985800 203.295 -110.987 264.86 -265.553 -141.816 -32.4464 295.833 -283.331 -23.9311 PRESSAVG: 985800 46.2115 -34.5474 -8.38137 -34.5475 -5.86591 23.9956 -8.38146 23.9956 4.39721 GPRESSAVG: 985800 45.851 -35.2426 -7.44265 -34.7385 -6.15777 22.7261 -7.22824 24.0602 5.263 TIMING: 985800 CPU: 3073.91, 0.00314412/step Wall: 3073.91, 0.00314412/step, 3.50587 hours remaining, 234.878906 MB of memory in use. ENERGY: 985800 4042.1824 20590.4184 14407.8492 261.5956 -203192.2966 2746.9268 0.0000 0.0000 52057.5180 -109085.8062 299.1753 -161143.3242 -108732.7733 299.9368 -17.6385 12.5159 763542.7477 14.9143 14.9854 PRESSURE: 986000 40.5802 -0.252118 99.765 -0.252201 242.423 -176.312 99.7658 -176.312 -165.125 GPRESSURE: 986000 152.036 -32.1231 112.375 -69.3644 118.023 -41.5951 167.776 -206.577 -71.9599 PRESSAVG: 986000 -16.9997 -16.8613 -41.327 -16.8614 50.631 5.32019 -41.327 5.32013 -12.945 GPRESSAVG: 986000 -16.7419 -19.368 -40.3764 -15.7431 49.8204 6.29322 -41.9225 6.1005 -11.956 TIMING: 986000 CPU: 3074.53, 0.003127/step Wall: 3074.53, 0.003127/step, 3.4866 hours remaining, 234.878906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 986000 4018.4435 20362.8204 14415.1444 236.9061 -203391.6956 2961.8611 0.0000 0.0000 52232.8404 -109163.6798 300.1829 -161396.5202 -108794.6539 299.1882 39.2926 66.0333 763299.1178 6.8954 7.0408 PRESSURE: 986200 -0.773447 -48.1071 51.6579 -48.1069 -1.32618 26.4672 51.6578 26.467 266.116 GPRESSURE: 986200 53.3061 -118.192 92.8687 -61.3084 138.837 82.814 5.58894 55.8581 161.616 PRESSAVG: 986200 12.0474 -35.1025 -2.883 -35.1025 6.39634 20.3539 -2.883 20.3539 5.49849 GPRESSAVG: 986200 13.3445 -34.4477 -5.19621 -33.912 6.12019 19.7743 -1.90385 20.1241 4.69744 TIMING: 986200 CPU: 3075.16, 0.00315207/step Wall: 3075.16, 0.00315207/step, 3.51438 hours remaining, 234.878906 MB of memory in use. ENERGY: 986200 3886.9800 20717.3756 14480.4207 260.3503 -203112.6916 2855.2401 0.0000 0.0000 51846.6813 -109065.6436 297.9636 -160912.3249 -108709.9156 299.5454 88.0056 117.9198 763362.2587 7.9807 8.0540 PRESSURE: 986400 -250.775 4.75052 55.0129 4.74997 -24.3129 118.031 55.0128 118.031 43.4982 GPRESSURE: 986400 -211.055 44.731 98.2713 -2.81718 -48.139 157.801 96.6388 85.1147 111.505 PRESSAVG: 986400 61.1845 8.62651 45.5084 8.62646 -37.0863 44.7704 45.5084 44.7704 6.02448 GPRESSAVG: 986400 60.1938 8.08081 46.8469 7.31421 -36.4012 44.3961 44.0957 44.4903 6.19589 TIMING: 986400 CPU: 3075.79, 0.00313245/step Wall: 3075.79, 0.00313245/step, 3.49234 hours remaining, 234.878906 MB of memory in use. ENERGY: 986400 3929.3074 20520.3739 14425.8961 248.1028 -203045.6235 2562.6056 0.0000 0.0000 52185.3782 -109173.9596 299.9101 -161359.3377 -108806.1194 299.2990 -77.1965 -49.2297 760758.1850 10.0409 9.9962 PRESSURE: 986600 241.608 52.7198 47.1709 52.7199 -21.4693 104.141 47.1699 104.14 67.8427 GPRESSURE: 986600 246.56 66.9586 -8.80123 -54.3397 77.4487 85.3439 35.6198 135.339 47.7168 PRESSAVG: 986600 57.3551 -11.1147 3.88328 -11.1147 -62.7418 -22.6235 3.88337 -22.6236 1.37796 GPRESSAVG: 986600 58.3071 -9.50964 4.44804 -11.8135 -62.5923 -22.3385 6.90695 -21.4335 0.626692 TIMING: 986600 CPU: 3076.41, 0.00312035/step Wall: 3076.41, 0.00312035/step, 3.47868 hours remaining, 234.878906 MB of memory in use. ENERGY: 986600 3921.0619 20494.0990 14432.8976 256.5140 -203056.7996 2797.0383 0.0000 0.0000 52189.3882 -108965.8005 299.9331 -161155.1887 -108613.5638 299.2037 95.9938 123.9086 761507.0980 -1.3362 -1.2195 PRESSURE: 986800 -35.1675 -250.008 -110.603 -250.008 99.1479 -128.981 -110.603 -128.98 -19.1618 GPRESSURE: 986800 40.2595 -279.132 -144.885 -255.337 72.1811 -201.361 -130.871 -63.6647 17.7622 PRESSAVG: 986800 61.5677 -4.24901 36.7608 -4.24898 -32.6494 -44.3193 36.7609 -44.3194 10.6082 GPRESSAVG: 986800 60.6079 -4.42623 34.9592 -3.07223 -32.7526 -45.9583 35.1656 -45.1284 11.7491 TIMING: 986800 CPU: 3077.04, 0.00315041/step Wall: 3077.04, 0.00315041/step, 3.512 hours remaining, 234.878906 MB of memory in use. ENERGY: 986800 3948.9443 20694.0697 14449.6555 239.1897 -202907.6716 2632.3329 0.0000 0.0000 52050.5722 -108892.9073 299.1354 -160943.4795 -108526.1611 299.8825 14.9395 43.4009 762718.8319 13.1755 13.2014 PRESSURE: 987000 -157.254 37.2197 101.779 37.221 93.7401 -31.9874 101.78 -31.9874 -315.305 GPRESSURE: 987000 -139.72 8.863 89.7323 64.0312 149.796 -2.88708 196.972 -71.7961 -290.963 PRESSAVG: 987000 -46.9612 -57.5501 -29.0724 -57.5501 47.168 66.9149 -29.0724 66.9149 3.76034 GPRESSAVG: 987000 -46.5785 -59.2777 -28.2912 -57.3336 47.2847 67.9194 -28.4474 65.7916 3.4097 TIMING: 987000 CPU: 3077.67, 0.00312792/step Wall: 3077.67, 0.00312792/step, 3.48677 hours remaining, 234.878906 MB of memory in use. ENERGY: 987000 3965.4057 20450.4617 14507.0630 243.8106 -203305.4653 2867.7312 0.0000 0.0000 52167.4449 -109103.5483 299.8070 -161270.9932 -108738.4465 299.8703 -126.2731 -93.6292 764500.6324 1.3224 1.3720 PRESSURE: 987200 -6.47244 174.487 -247.251 174.486 -135.639 -15.9786 -247.251 -15.9783 257.502 GPRESSURE: 987200 -90.0615 120.957 -254.917 121.491 15.2282 -37.7489 -165.509 -76.8886 258.054 PRESSAVG: 987200 13.3408 17.4026 -17.0611 17.4027 -1.28044 1.26109 -17.0612 1.26109 9.67595 GPRESSAVG: 987200 11.9347 17.4082 -18.4263 15.5933 0.948205 2.57597 -17.1427 2.5042 8.91682 TIMING: 987200 CPU: 3078.3, 0.00315419/step Wall: 3078.3, 0.0031542/step, 3.51588 hours remaining, 234.878906 MB of memory in use. ENERGY: 987200 3957.6707 20484.2345 14540.3522 258.8340 -203709.7692 3015.8915 0.0000 0.0000 52396.0582 -109056.7281 301.1209 -161452.7863 -108690.2262 299.2929 38.4636 61.0735 762544.5494 7.2454 7.2666 PRESSURE: 987400 135.488 -60.4154 64.9966 -60.4156 68.9788 304.732 64.9965 304.732 265.286 GPRESSURE: 987400 173.244 -147.778 -30.0486 -159.64 123 210.244 -19.819 225.638 255.629 PRESSAVG: 987400 -5.82253 -8.80861 -33.2178 -8.80865 -31.7277 -17.7046 -33.2178 -17.7046 -6.40263 GPRESSAVG: 987400 -5.40726 -7.29863 -32.5395 -7.39561 -33.6034 -19.7002 -33.9932 -18.2716 -4.80838 TIMING: 987400 CPU: 3078.92, 0.00311584/step Wall: 3078.92, 0.00311584/step, 3.47295 hours remaining, 234.878906 MB of memory in use. ENERGY: 987400 4012.7060 20462.9588 14506.2175 248.6131 -203274.0033 2868.5821 0.0000 0.0000 52206.3153 -108968.6105 300.0304 -161174.9258 -108594.8105 299.0017 156.5843 183.9578 762457.8089 -14.6510 -14.6064 PRESSURE: 987600 1.18935 -21.0521 -1.62507 -21.0511 -169.986 101.577 -1.6258 101.577 -65.7014 GPRESSURE: 987600 92.6736 12.4702 5.33537 -36.5359 -155.073 21.0991 -16.8647 45.4153 -81.8904 PRESSAVG: 987600 33.1889 -19.3957 -33.6433 -19.3957 -29.2251 26.7618 -33.6433 26.7618 -2.23471 GPRESSAVG: 987600 34.2151 -16.6573 -32.788 -20.6514 -29.2599 28.023 -32.7035 26.8953 -2.68114 TIMING: 987600 CPU: 3079.55, 0.00313783/step Wall: 3079.55, 0.00313783/step, 3.49728 hours remaining, 234.878906 MB of memory in use. ENERGY: 987600 4110.3750 20372.2875 14483.1448 240.7248 -203350.8031 2952.6030 0.0000 0.0000 52007.7126 -109183.9554 298.8890 -161191.6680 -108823.6517 299.5443 -78.1660 -48.0966 762991.4286 0.5764 0.7580 PRESSURE: 987800 458.303 -21.325 -84.6379 -21.3247 -22.49 -180.28 -84.6378 -180.279 -354.515 GPRESSURE: 987800 451.089 108.135 -44.31 -121.127 41.0139 -89.2166 -80.5689 -155.93 -316.766 PRESSAVG: 987800 20.3232 -9.03306 -18.3611 -9.03301 -55.7107 14.8187 -18.361 14.8187 7.62978 GPRESSAVG: 987800 20.7168 -12.2399 -18.2483 -5.79413 -55.4126 14.6596 -19.338 13.3625 7.19397 TIMING: 987800 CPU: 3080.18, 0.00314095/step Wall: 3080.18, 0.00314095/step, 3.50059 hours remaining, 234.878906 MB of memory in use. ENERGY: 987800 4103.6471 20492.9547 14514.2296 243.8696 -203516.4425 3095.0147 0.0000 0.0000 52122.4467 -108944.2800 299.5484 -161066.7267 -108589.5456 298.9891 27.0994 58.4457 762400.6433 -9.2526 -9.1673 PRESSURE: 988000 224.761 -56.4853 7.12394 -56.4848 210.57 -217.748 7.12423 -217.748 70.3332 GPRESSURE: 988000 215.393 -24.2606 -59.7972 -196.427 350.076 -233.619 -38.2032 -166.549 29.1725 PRESSAVG: 988000 45.7802 46.1087 -39.2874 46.1087 -32.3392 1.74056 -39.2875 1.74058 -25.4589 GPRESSAVG: 988000 46.1836 46.5839 -40.9057 42.9943 -32.0751 0.895251 -38.2417 3.01605 -26.166 TIMING: 988000 CPU: 3080.81, 0.00315261/step Wall: 3080.81, 0.00315261/step, 3.51341 hours remaining, 234.878906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 988000 4004.8104 20518.4791 14538.2576 233.1200 -203416.1014 3093.7224 0.0000 0.0000 52182.6611 -108845.0507 299.8945 -161027.7118 -108486.2628 299.6128 168.5547 198.2137 763551.3850 -4.0059 -4.0192 PRESSURE: 988200 106.213 90.6616 -135.222 90.6621 409.547 43.4826 -135.222 43.4828 275.411 GPRESSURE: 988200 135.753 121.124 -154.857 -29.7518 479.172 9.77167 -138.083 105.63 255.412 PRESSAVG: 988200 -16.6719 -23.4418 10.5422 -23.4418 42.8661 26.3551 10.5422 26.3552 22.009 GPRESSAVG: 988200 -16.8445 -24.7745 11.1851 -21.8315 42.3169 27.1588 9.21592 25.3878 22.5608 TIMING: 988200 CPU: 3081.44, 0.00313641/step Wall: 3081.44, 0.00313641/step, 3.49518 hours remaining, 234.878906 MB of memory in use. ENERGY: 988200 3851.3764 20607.4584 14545.0856 246.1542 -203114.7733 2745.6636 0.0000 0.0000 52156.6368 -108962.3984 299.7449 -161119.0351 -108598.2420 299.9597 263.7238 290.1121 762380.5572 16.0677 16.0111 LDB: ============= START OF LOAD BALANCING ============== 3093.92 LDB: ============== END OF LOAD BALANCING =============== 3093.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3093.92 LDB: ============= START OF LOAD BALANCING ============== 3094.23 LDB: Largest compute 6997 load 0.029897 is 15.3% of average load 0.194947 LDB: Average compute 0.004411 is 2.3% of average load 0.194947 LDB: TIME 3094.24 LOAD: AVG 0.194947 MAX 0.216599 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.598 MB LDB: TIME 3094.24 LOAD: AVG 0.194947 MAX 0.216599 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.691 MB LDB: TIME 3094.24 LOAD: AVG 0.194947 MAX 0.216599 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.691 MB LDB: ============== END OF LOAD BALANCING =============== 3094.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3094.25 PRESSURE: 988400 -62.32 85.5362 12.4832 85.5359 10.504 147.607 12.4841 147.606 99.4495 GPRESSURE: 988400 -48.496 153.653 69.5962 83.7017 0.320037 67.1893 29.2177 242.838 175.563 PRESSAVG: 988400 24.0162 5.99822 11.8186 5.99814 -42.6881 9.07015 11.8186 9.0702 -5.504 GPRESSAVG: 988400 24.1915 7.49871 10.9806 7.04393 -44.3066 8.69036 11.2969 9.98945 -4.0298 TIMING: 988400 CPU: 3082.08, 0.0032121/step Wall: 3082.08, 0.0032121/step, 3.57935 hours remaining, 234.570312 MB of memory in use. ENERGY: 988400 3982.4616 20517.5877 14470.8108 247.8923 -202656.7551 2537.8890 0.0000 0.0000 51802.0832 -109098.0305 297.7073 -160900.1136 -108742.7703 299.3163 15.8778 42.4623 763941.7908 -8.0586 -8.0483 PRESSURE: 988600 -420.486 -52.5211 336.535 -52.5202 -242.625 107.035 336.535 107.034 -508.041 GPRESSURE: 988600 -388.567 -3.37139 347.756 -68.0249 -199.122 92.4422 190.424 2.62893 -507.542 PRESSAVG: 988600 -13.1965 -4.88195 36.9928 -4.88199 5.91916 37.5654 36.9928 37.5654 -22.284 GPRESSAVG: 988600 -13.5885 -5.91211 38.8113 -6.19955 8.67832 39.0601 37.8791 37.6527 -24.6233 TIMING: 988600 CPU: 3082.71, 0.00313492/step Wall: 3082.71, 0.00313492/step, 3.49317 hours remaining, 234.570312 MB of memory in use. ENERGY: 988600 4033.9390 20403.5028 14467.9551 251.0713 -202676.7721 2237.6131 0.0000 0.0000 52265.4282 -109017.2627 300.3701 -161282.6909 -108646.7855 299.0190 -390.3839 -365.0768 762837.4519 -9.8538 -9.8445 PRESSURE: 988800 -442.94 81.2057 -123.843 81.206 -343.809 -170.195 -123.843 -170.196 -167.065 GPRESSURE: 988800 -420.913 110.051 -104.316 83.005 -283.905 -116.65 -104.117 -15.2748 -138.463 PRESSAVG: 988800 -14.6345 21.4242 -48.8547 21.4242 49.3799 -13.0127 -48.8547 -13.0127 -21.5956 GPRESSAVG: 988800 -13.9551 20.3663 -49.0179 22.283 48.6745 -13.4705 -50.2539 -12.7576 -21.0175 TIMING: 988800 CPU: 3083.33, 0.00313603/step Wall: 3083.33, 0.00313603/step, 3.49424 hours remaining, 234.570312 MB of memory in use. ENERGY: 988800 3958.3241 20598.0191 14461.1675 232.8397 -202656.3595 2325.7515 0.0000 0.0000 51996.3988 -109083.8588 298.8240 -161080.2576 -108720.5171 299.1995 -317.9382 -281.0937 764225.2957 4.3833 4.5673 PRESSURE: 989000 -79.5457 -10.4258 -106.541 -10.4252 61.8139 -41.4206 -106.54 -41.4202 44.7956 GPRESSURE: 989000 -50.0535 98.0099 -99.8952 -137.228 31.2374 -98.8392 -86.0542 46.66 139.645 PRESSAVG: 989000 -34.6007 1.45814 -50.5988 1.45818 -9.61948 -30.4618 -50.5988 -30.4617 29.1041 GPRESSAVG: 989000 -34.5265 2.26342 -52.4048 0.0655664 -9.61998 -31.564 -48.5677 -28.7709 29.5548 TIMING: 989000 CPU: 3083.96, 0.00313194/step Wall: 3083.96, 0.00313194/step, 3.4895 hours remaining, 234.570312 MB of memory in use. ENERGY: 989000 4012.9264 20464.6007 14507.9340 223.7734 -202681.2779 2534.1088 0.0000 0.0000 51889.1043 -109048.8303 298.2074 -160937.9345 -108685.9648 299.0063 9.0213 40.2764 763105.0407 -5.0387 -4.8639 PRESSURE: 989200 -121.473 -161.981 87.4983 -161.982 -246.534 -119.832 87.4987 -119.832 482.162 GPRESSURE: 989200 -74.3371 -75.887 134.366 -42.3664 -213.305 -127.664 28.4284 -151.084 488.454 PRESSAVG: 989200 27.4837 -45.2647 -22.408 -45.2647 -20.4509 27.7364 -22.4081 27.7364 -5.73796 GPRESSAVG: 989200 28.4472 -46.6588 -21.3359 -44.9208 -19.8025 27.569 -22.7189 26.006 -7.57815 TIMING: 989200 CPU: 3084.59, 0.00313509/step Wall: 3084.59, 0.00313509/step, 3.49284 hours remaining, 234.570312 MB of memory in use. ENERGY: 989200 3998.0577 20508.2814 14466.2932 252.4552 -203401.2430 2932.6911 0.0000 0.0000 52066.0409 -109177.4234 299.2243 -161243.4644 -108816.9820 299.0062 38.0517 66.9372 762407.4655 0.4316 0.3555 PRESSURE: 989400 -64.7706 189.176 -91.0535 189.177 111.136 -91.1168 -91.0527 -91.1165 95.192 GPRESSURE: 989400 -84.2485 199.692 -49.8786 171.498 187.566 -23.5796 -17.2174 2.27124 117.17 PRESSAVG: 989400 -39.8094 24.5824 -32.2293 24.5824 57.9245 -64.3136 -32.2293 -64.3136 6.8086 GPRESSAVG: 989400 -42.6889 25.5447 -32.8206 24.3567 57.8408 -63.3627 -31.8375 -62.9099 9.61459 TIMING: 989400 CPU: 3085.21, 0.00313316/step Wall: 3085.21, 0.00313316/step, 3.49052 hours remaining, 234.625000 MB of memory in use. ENERGY: 989400 4083.8543 20459.9030 14447.7973 235.5301 -203462.0536 3055.1884 0.0000 0.0000 51996.1547 -109183.6259 298.8226 -161179.7806 -108824.9030 298.9982 47.1857 73.4957 764319.7138 8.3079 8.2555 PRESSURE: 989600 -46.3636 -62.3198 -170.287 -62.3204 4.0569 -161.835 -170.286 -161.835 237.88 GPRESSURE: 989600 -94.3362 -23.3045 -156.436 -39.9066 113.568 -175.855 -14.9697 -33.2368 270.018 PRESSAVG: 989600 -46.2731 24.7085 -10.2757 24.7086 42.7517 -7.95695 -10.2757 -7.95701 -6.09498 GPRESSAVG: 989600 -44.0398 24.8763 -9.62208 24.4624 42.3801 -8.73098 -9.49643 -7.18487 -7.61361 TIMING: 989600 CPU: 3085.84, 0.00315144/step Wall: 3085.84, 0.00315144/step, 3.51071 hours remaining, 234.625000 MB of memory in use. ENERGY: 989600 4014.6991 20660.7626 14435.8555 239.5777 -203224.6987 2923.9562 0.0000 0.0000 52139.2415 -108810.6061 299.6449 -160949.8476 -108455.9541 299.5722 65.1911 96.4165 762640.6772 -3.2055 -3.0911 PRESSURE: 989800 122.36 30.4069 62.2381 30.4056 221.417 -55.4784 62.238 -55.4781 17.9786 GPRESSURE: 989800 179.049 25.6887 18.4126 169.158 226.564 -16.5635 82.8902 -83.7023 25.8737 PRESSAVG: 989800 14.3828 35.0357 4.64424 35.0356 -30.4648 -48.5479 4.64425 -48.5479 18.2738 GPRESSAVG: 989800 13.8198 36.0501 5.00585 34.3298 -30.5813 -46.0749 1.91729 -49.4132 19.0347 TIMING: 989800 CPU: 3086.47, 0.00313244/step Wall: 3086.47, 0.00313244/step, 3.48936 hours remaining, 234.625000 MB of memory in use. ENERGY: 989800 3907.9221 20471.4490 14368.9623 232.5574 -203232.7943 2937.6375 0.0000 0.0000 52156.1194 -109158.1466 299.7419 -161314.2660 -108793.0694 299.5179 120.5855 143.8289 761707.8985 0.7306 0.7577 PRESSURE: 990000 -207.952 174.833 -163.376 174.834 -109.815 207.254 -163.376 207.254 -244.393 GPRESSURE: 990000 -138.512 160.36 -204.288 195.042 -107.615 141.813 -31.3433 219.281 -223.791 PRESSAVG: 990000 -3.46818 0.690161 25.1216 0.690104 -13.312 46.0718 25.1216 46.0719 -23.9349 GPRESSAVG: 990000 -2.68899 1.26918 24.2665 0.517738 -13.0215 44.5661 28.0283 45.6421 -24.3542 TIMING: 990000 CPU: 3087.09, 0.00310308/step Wall: 3087.09, 0.00310308/step, 3.45649 hours remaining, 234.625000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 990000 3983.7622 20566.6055 14500.3565 238.1798 -202940.1144 2477.0179 0.0000 0.0000 52169.9112 -109004.2812 299.8212 -161174.1924 -108649.6888 299.5347 -187.3866 -156.6395 762993.3552 -13.5717 -13.3549 PRESSURE: 990200 -311.103 -144.527 -41.582 -144.527 159.057 -65.3127 -41.5813 -65.3128 74.3148 GPRESSURE: 990200 -326.372 -36.0888 -147.915 -110.78 199.737 -39.0313 -39.0623 -129.306 136.876 PRESSAVG: 990200 -42.9412 50.4057 -0.504369 50.4058 28.277 -9.1118 -0.50437 -9.11173 10.1437 GPRESSAVG: 990200 -42.7721 48.4008 -0.473329 52.0837 27.6762 -10.5553 -3.8164 -8.78725 10.7107 TIMING: 990200 CPU: 3087.71, 0.00311244/step Wall: 3087.71, 0.00311244/step, 3.46674 hours remaining, 234.625000 MB of memory in use. ENERGY: 990200 3982.7757 20636.4473 14497.0829 237.1975 -203176.4321 2867.8634 0.0000 0.0000 51948.2070 -109006.8584 298.5471 -160955.0654 -108650.7844 299.5784 -25.9105 3.4134 762250.0604 -1.5068 -1.4617 PRESSURE: 990400 -17.7935 66.9696 125.487 66.9695 38.2428 -66.3866 125.487 -66.3869 -425.13 GPRESSURE: 990400 13.5375 101.708 103.423 176.289 47.2608 42.3078 57.9475 -73.8718 -369.639 PRESSAVG: 990400 -32.1855 -32.5846 57.9644 -32.5846 59.9122 20.5788 57.9644 20.5788 12.3189 GPRESSAVG: 990400 -32.2189 -32.4708 59.3384 -32.3082 60.6059 21.2314 57.2686 20.1408 11.7831 TIMING: 990400 CPU: 3088.34, 0.00312967/step Wall: 3088.34, 0.00312967/step, 3.48576 hours remaining, 234.625000 MB of memory in use. ENERGY: 990400 4003.3731 20482.7927 14405.5115 249.8646 -202935.6252 2594.4201 0.0000 0.0000 52087.8593 -109111.8039 299.3496 -161199.6632 -108755.0027 299.4694 -134.8936 -102.9470 762853.3747 13.3485 13.3900 PRESSURE: 990600 -524.675 -73.3287 199.362 -73.3289 -191.964 57.426 199.361 57.4256 -355.031 GPRESSURE: 990600 -485.263 -28.605 128.276 -2.23334 -146.792 33.1045 208.417 180.832 -338.691 PRESSAVG: 990600 -42.1693 32.1405 0.509434 32.1405 2.93245 -4.72866 0.509499 -4.72857 0.708666 GPRESSAVG: 990600 -42.4638 31.6535 -1.84279 31.7289 3.62233 -4.02265 2.85011 -3.10991 -0.160147 TIMING: 990600 CPU: 3088.96, 0.00312432/step Wall: 3088.96, 0.00312432/step, 3.47962 hours remaining, 234.625000 MB of memory in use. ENERGY: 990600 4024.6036 20392.0189 14394.0130 244.2543 -202829.7549 2351.4198 0.0000 0.0000 52093.6380 -109329.8075 299.3829 -161423.4454 -108961.3931 299.0963 -357.2233 -323.5820 762830.2728 -12.8427 -13.0005 PRESSURE: 990800 -408.278 174.216 218.02 174.216 29.3281 -52.0803 218.02 -52.0801 -557.21 GPRESSURE: 990800 -313.807 198.085 135.542 111.647 -9.25206 -95.9617 183.334 -46.7901 -530.016 PRESSAVG: 990800 -30.5799 3.57812 59.1959 3.57805 -5.69804 -18.6996 59.1958 -18.6997 -8.88238 GPRESSAVG: 990800 -30.618 4.27556 61.0852 3.91194 -5.57323 -19.913 58.8719 -18.8139 -9.21073 TIMING: 990800 CPU: 3089.59, 0.00314105/step Wall: 3089.59, 0.00314105/step, 3.49808 hours remaining, 234.625000 MB of memory in use. ENERGY: 990800 4074.0249 20526.0088 14375.7207 247.3030 -203073.3470 2456.2243 0.0000 0.0000 51852.1471 -109541.9183 297.9950 -161394.0654 -109190.2661 298.9015 -312.0531 -284.3584 762753.9212 -15.0534 -15.1340 PRESSURE: 991000 -155.748 175.281 196.62 175.28 97.3051 -132.77 196.621 -132.77 252.95 GPRESSURE: 991000 -166.719 141.546 145.855 96.5116 165.352 -145.062 181.94 -153.711 275.918 PRESSAVG: 991000 -19.342 33.791 43.6558 33.7909 20.7875 -12.8521 43.6558 -12.8521 22.0962 GPRESSAVG: 991000 -20.2803 32.7963 41.6184 32.2508 21.63 -11.4726 44.3092 -13.5013 22.2097 TIMING: 991000 CPU: 3090.22, 0.00314064/step Wall: 3090.22, 0.00314064/step, 3.49745 hours remaining, 234.625000 MB of memory in use. ENERGY: 991000 3999.7294 20314.1207 14387.9094 252.8406 -202830.6687 2739.3202 0.0000 0.0000 51805.2842 -109331.4643 297.7257 -161136.7485 -108967.1672 298.7660 64.8359 91.5169 765226.6345 7.8472 7.8531 PRESSURE: 991200 48.5285 -176.644 90.882 -176.644 -336.367 -34.8838 90.882 -34.883 -332.537 GPRESSURE: 991200 79.0755 -130.162 190.265 -56.7938 -285.809 -91.0773 5.1184 -65.112 -333.121 PRESSAVG: 991200 -49.7322 9.00008 2.02638 9.00016 95.2468 22.0187 2.02643 22.0187 -5.64947 GPRESSAVG: 991200 -49.5129 7.59032 4.02663 10.7636 93.6519 22.4721 0.981425 20.3542 -3.65205 TIMING: 991200 CPU: 3090.85, 0.00314553/step Wall: 3090.85, 0.00314553/step, 3.50272 hours remaining, 234.625000 MB of memory in use. ENERGY: 991200 4057.6025 20490.8574 14442.9073 266.6733 -203224.4622 2667.3578 0.0000 0.0000 52055.5172 -109243.5467 299.1638 -161299.0639 -108885.6162 298.8839 -206.7916 -179.9514 765117.7584 13.2884 13.4956 PRESSURE: 991400 -58.9799 64.6355 -77.3224 64.636 -8.97721 86.5933 -77.3223 86.593 -128.32 GPRESSURE: 991400 99.8122 58.8978 -11.425 179.404 -90.3274 131.745 1.76549 14.9539 -118.885 PRESSAVG: 991400 -4.97157 32.7649 34.9042 32.7649 51.0829 11.1663 34.9043 11.1663 13.3925 GPRESSAVG: 991400 -4.33947 35.7437 32.836 32.5822 51.7253 11.2222 37.0606 13.1387 12.387 TIMING: 991400 CPU: 3091.48, 0.00315478/step Wall: 3091.48, 0.00315478/step, 3.51285 hours remaining, 234.625000 MB of memory in use. ENERGY: 991400 4037.6351 20449.4185 14416.4061 266.8621 -203019.9572 2656.2543 0.0000 0.0000 52108.9002 -109084.4808 299.4706 -161193.3810 -108724.0334 299.6273 -65.4258 -36.4669 762990.5039 19.8346 19.9243 PRESSURE: 991600 -347.201 50.2855 -218.387 50.2854 68.471 -38.4397 -218.388 -38.4399 -178.399 GPRESSURE: 991600 -372.365 79.9138 -296.281 112.955 142.635 -29.2469 -112.611 24.8772 -150.329 PRESSAVG: 991600 -46.7525 -3.29227 37.6406 -3.29228 -19.1103 66.9464 37.6406 66.9464 -4.69661 GPRESSAVG: 991600 -46.6304 -5.1672 39.1114 -4.23656 -18.8608 66.368 36.0725 66.2632 -5.46711 TIMING: 991600 CPU: 3092.11, 0.00312212/step Wall: 3092.11, 0.00312212/step, 3.47631 hours remaining, 234.625000 MB of memory in use. ENERGY: 991600 4015.5954 20497.2248 14412.5136 240.8407 -203318.4426 2934.7472 0.0000 0.0000 52032.1615 -109185.3594 299.0295 -161217.5209 -108824.9536 299.1286 -152.3765 -126.6862 763952.5463 -23.5198 -23.6528 PRESSURE: 991800 -98.2223 39.9326 -243.761 39.9328 180.476 160.057 -243.761 160.057 105.246 GPRESSURE: 991800 8.58603 -50.0412 -247.632 20.4061 136.837 213.548 -207.754 139.638 98.1934 PRESSAVG: 991800 4.86001 10.2425 -12.7086 10.2425 33.232 12.4843 -12.7086 12.4842 3.47182 GPRESSAVG: 991800 5.41573 9.35056 -12.6071 11.6693 32.2238 13.5109 -11.2796 14.8802 3.9598 TIMING: 991800 CPU: 3092.73, 0.00311873/step Wall: 3092.73, 0.00311873/step, 3.47236 hours remaining, 234.625000 MB of memory in use. ENERGY: 991800 4034.1150 20598.2983 14445.5203 252.0677 -202948.8022 2707.2247 0.0000 0.0000 51921.5669 -108990.0093 298.3940 -160911.5762 -108619.2841 299.3344 62.4999 81.2055 763223.4075 13.8546 13.8664 PRESSURE: 992000 -54.1642 82.4125 298.315 82.4122 -429.241 268.881 298.316 268.881 -36.0716 GPRESSURE: 992000 -81.8647 100.262 335.103 42.4919 -432.151 278.864 213.555 295.594 54.9978 PRESSAVG: 992000 34.2071 23.9574 50.8444 23.9574 -42.0373 -39.6208 50.8444 -39.6208 12.0608 GPRESSAVG: 992000 33.1991 24.9264 49.3887 24.2432 -41.2188 -39.7483 51.4643 -42.1576 12.493 TIMING: 992000 CPU: 3093.36, 0.00314502/step Wall: 3093.36, 0.00314502/step, 3.50146 hours remaining, 234.625000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 992000 4079.6455 20589.5391 14480.2886 236.3325 -202995.1007 2349.6379 0.0000 0.0000 52114.3086 -109145.3486 299.5016 -161259.6571 -108783.8674 299.6532 -173.1591 -153.0059 762304.8377 1.4102 1.4911 PRESSURE: 992200 -2.05447 4.75808 354.845 4.75713 -35.2454 -111.897 354.845 -111.897 -40.9121 GPRESSURE: 992200 -0.780097 95.6573 307.596 144.318 99.7689 -98.0667 252.866 -101.025 -80.8046 PRESSAVG: 992200 -24.7972 -41.9027 -15.2458 -41.9028 -20.5056 47.1475 -15.2458 47.1474 -20.431 GPRESSAVG: 992200 -23.9229 -43.5582 -13.9323 -43.1563 -20.1495 46.5048 -19.4184 48.7089 -22.3276 TIMING: 992200 CPU: 3093.99, 0.00316769/step Wall: 3093.99, 0.00316769/step, 3.52652 hours remaining, 234.625000 MB of memory in use. ENERGY: 992200 4009.2049 20569.2675 14496.1983 249.7251 -203214.8804 2568.9115 0.0000 0.0000 52410.9170 -108910.6561 301.2063 -161321.5731 -108550.9369 299.8687 -26.0707 6.0614 762158.2973 -21.9113 -22.1333 LDB: ============= START OF LOAD BALANCING ============== 3106.47 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3106.47 LDB: =============== DONE WITH MIGRATION ================ 3106.48 LDB: ============= START OF LOAD BALANCING ============== 3106.79 LDB: Largest compute 7059 load 0.032968 is 16.9% of average load 0.194955 LDB: Average compute 0.004409 is 2.3% of average load 0.194955 LDB: TIME 3106.79 LOAD: AVG 0.194955 MAX 0.213013 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.109 MB LDB: TIME 3106.79 LOAD: AVG 0.194955 MAX 0.213013 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.109 MB LDB: TIME 3106.79 LOAD: AVG 0.194955 MAX 0.213013 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.109 MB LDB: ============== END OF LOAD BALANCING =============== 3106.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3106.8 PRESSURE: 992400 187.438 -101.446 -79.0831 -101.445 184.222 111.671 -79.0837 111.671 294.376 GPRESSURE: 992400 205.774 -94.6463 -32.3741 -148.539 212.075 85.9494 -144.04 113.815 329.257 PRESSAVG: 992400 18.0819 -18.7868 -20.0879 -18.7867 8.21769 4.96849 -20.0879 4.96852 -18.2829 GPRESSAVG: 992400 17.2386 -17.3792 -20.2148 -18.788 7.7683 4.46517 -19.1354 5.22169 -17.445 TIMING: 992400 CPU: 3094.63, 0.00321055/step Wall: 3094.63, 0.00321055/step, 3.57406 hours remaining, 234.933594 MB of memory in use. ENERGY: 992400 4001.6034 20621.4910 14508.8218 244.6659 -203134.1299 2614.7883 0.0000 0.0000 52257.5105 -108885.2490 300.3246 -161142.7595 -108526.6695 300.3706 222.0117 249.0353 761746.3383 2.6722 2.5206 PRESSURE: 992600 -111.746 340.389 -59.7582 340.39 372.777 -213.163 -59.7592 -213.163 -214.632 GPRESSURE: 992600 -79.2433 302.517 -61.8266 275.738 346.606 -178.176 -100.329 -184.111 -121.767 PRESSAVG: 992600 61.6775 -16.8792 5.0317 -16.8792 -14.0867 -17.4163 5.03166 -17.4163 16.5074 GPRESSAVG: 992600 60.9786 -18.4452 5.71849 -16.6912 -14.8733 -19.1683 6.65321 -17.84 17.5419 TIMING: 992600 CPU: 3095.26, 0.00312755/step Wall: 3095.26, 0.00312755/step, 3.48148 hours remaining, 234.933594 MB of memory in use. ENERGY: 992600 4081.7070 20652.9064 14468.8960 241.2094 -203313.4980 2662.2511 0.0000 0.0000 52152.5602 -109053.9679 299.7215 -161206.5281 -108690.6899 299.8263 15.4666 48.5322 760778.8060 21.3661 21.2157 PRESSURE: 992800 -296.185 137.163 -133.699 137.161 -19.8727 -12.4795 -133.699 -12.4803 60.1153 GPRESSURE: 992800 -282.476 130.61 -165.188 54.8773 43.7131 -87.4407 -39.6029 50.9984 83.2215 PRESSAVG: 992800 9.6438 -6.27314 -13.5086 -6.27319 -5.39982 -0.819167 -13.5086 -0.819243 -2.12019 GPRESSAVG: 992800 10.0869 -5.75008 -14.7989 -5.33743 -4.76453 0.587339 -14.5429 0.834587 -2.54027 TIMING: 992800 CPU: 3095.89, 0.00313339/step Wall: 3095.89, 0.00313339/step, 3.48782 hours remaining, 234.933594 MB of memory in use. ENERGY: 992800 4025.8782 20611.6119 14467.8584 245.2347 -203184.2006 2701.8080 0.0000 0.0000 52008.7610 -109123.0484 298.8951 -161131.8094 -108769.3266 299.7386 -85.3142 -51.8471 762782.1589 0.7079 0.9274 PRESSURE: 993000 88.4618 -47.1756 -159.037 -47.1757 -87.5302 -20.8898 -159.036 -20.8908 389.644 GPRESSURE: 993000 140.55 -12.0485 -145.085 -108.201 -41.0848 -56.8282 -53.0161 -12.7745 377.107 PRESSAVG: 993000 25.3976 -27.0322 -18.71 -27.0322 -0.510355 -17.9194 -18.7099 -17.9195 3.04108 GPRESSAVG: 993000 25.4388 -24.5094 -19.4864 -30.3927 -0.0974001 -16.7273 -17.64 -22.2164 2.89773 TIMING: 993000 CPU: 3096.51, 0.00312845/step Wall: 3096.51, 0.00312845/step, 3.48213 hours remaining, 234.933594 MB of memory in use. ENERGY: 993000 3964.4443 20498.8918 14469.9989 243.8297 -202932.6288 2570.2898 0.0000 0.0000 52026.5480 -109158.6263 298.9973 -161185.1743 -108796.4466 299.0995 130.1917 158.8572 762711.6344 9.3094 9.4131 PRESSURE: 993200 -130.993 -35.3064 47.3704 -35.3066 -253.472 94.4398 47.3723 94.4405 -40.8756 GPRESSURE: 993200 -78.8465 64.4941 55.6528 -35.6353 -205.582 78.1897 30.5632 50.8433 -56.6348 PRESSAVG: 993200 6.60662 28.6729 23.2902 28.6729 57.2102 -44.5461 23.2903 -44.546 -15.2664 GPRESSAVG: 993200 6.40918 27.7083 23.4337 30.7704 57.0804 -45.4638 22.635 -43.7097 -15.0405 TIMING: 993200 CPU: 3097.14, 0.00315071/step Wall: 3097.14, 0.00315071/step, 3.50674 hours remaining, 234.933594 MB of memory in use. ENERGY: 993200 4074.1137 20444.7526 14404.6893 229.2407 -202816.7847 2425.2142 0.0000 0.0000 52214.4949 -109024.2793 300.0774 -161238.7742 -108666.8564 299.1765 -141.7804 -113.6877 762169.0603 16.1835 16.1497 PRESSURE: 993400 101.968 67.6103 -47.3836 67.6111 176.285 111.049 -47.3833 111.049 -217.25 GPRESSURE: 993400 179.018 -55.5131 -55.3878 176.098 170.309 108.406 144.82 90.9835 -197.416 PRESSAVG: 993400 15.3245 -56.8667 3.13599 -56.8667 -22.9014 -43.5575 3.13601 -43.5575 12.2962 GPRESSAVG: 993400 17.2748 -58.3401 3.50803 -56.9875 -23.899 -44.3324 3.71692 -41.9198 11.3958 TIMING: 993400 CPU: 3097.77, 0.00315281/step Wall: 3097.77, 0.00315281/step, 3.5089 hours remaining, 234.933594 MB of memory in use. ENERGY: 993400 3993.9318 20550.8071 14403.9547 235.9190 -203261.3340 2868.9046 0.0000 0.0000 52178.6836 -109029.1332 299.8716 -161207.8168 -108672.9859 299.3200 20.3345 50.6369 762021.8703 1.5731 1.5905 PRESSURE: 993600 -405.595 152.159 74.0064 152.159 -199.795 -98.4301 74.0056 -98.43 -327.402 GPRESSURE: 993600 -248.914 146.314 218.825 12.9415 -246.28 -34.1963 41.5752 -37.6696 -337.215 PRESSAVG: 993600 7.99881 7.94236 50.4607 7.94236 -36.0713 -17.7009 50.4607 -17.701 -15.4348 GPRESSAVG: 993600 8.17451 8.06786 51.0194 8.9514 -37.1736 -17.3235 49.3427 -16.5476 -15.1699 TIMING: 993600 CPU: 3098.4, 0.00313086/step Wall: 3098.4, 0.00313086/step, 3.4843 hours remaining, 234.933594 MB of memory in use. ENERGY: 993600 4045.9814 20515.5697 14370.1922 239.8051 -202893.0350 2484.1087 0.0000 0.0000 52236.8721 -109000.5058 300.2060 -161237.3779 -108638.5336 299.9029 -310.9306 -277.4694 763544.1821 -14.5024 -14.7230 PRESSURE: 993800 5.2971 59.5075 -224.136 59.5082 318.592 203.516 -224.135 203.516 -136.499 GPRESSURE: 993800 27.2409 135.734 -270.853 91.0832 366.387 137.409 -129.096 262.111 -114.287 PRESSAVG: 993800 28.9544 17.9401 8.28999 17.9402 -58.681 -38.5941 8.29003 -38.5942 2.19003 GPRESSAVG: 993800 27.8836 19.6434 6.89449 17.85 -58.2392 -38.8963 9.50271 -40.1919 2.4938 TIMING: 993800 CPU: 3099.02, 0.00312772/step Wall: 3099.02, 0.00312772/step, 3.48064 hours remaining, 234.933594 MB of memory in use. ENERGY: 993800 4059.5955 20569.0412 14385.2122 257.3042 -203232.1472 2898.2766 0.0000 0.0000 52100.2724 -108962.4451 299.4210 -161062.7175 -108613.8442 299.9220 62.4632 93.1138 759396.0027 -9.1789 -9.2873 PRESSURE: 994000 75.6789 56.4046 18.176 56.4046 -58.2354 75.4769 18.1766 75.477 -214.953 GPRESSURE: 994000 161.183 69.7294 71.1264 3.38411 -98.259 58.5078 3.78064 2.196 -168.578 PRESSAVG: 994000 29.6191 -0.0679728 -37.6257 -0.0679282 -23.5387 3.28769 -37.6258 3.28763 18.6848 GPRESSAVG: 994000 28.8943 -1.9054 -37.5948 -1.16302 -22.4751 5.4069 -36.6655 1.33717 19.0665 TIMING: 994000 CPU: 3099.65, 0.00314072/step Wall: 3099.65, 0.00314073/step, 3.49493 hours remaining, 234.933594 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: 994000 3993.7355 20639.7231 14488.3828 261.5495 -202979.3629 2530.3517 0.0000 0.0000 52293.6467 -108771.9736 300.5323 -161065.6202 -108411.7516 299.8826 -65.8363 -35.2177 760220.9423 8.2550 8.4953 PRESSURE: 994200 401.755 -12.9181 298.066 -12.9179 174.838 -81.3675 298.066 -81.3691 157.665 GPRESSURE: 994200 404.723 24.8038 208.698 8.48404 306.685 -34.0135 118.602 -97.3946 107.329 PRESSAVG: 994200 47.4361 30.9386 11.1853 30.9386 -37.5311 -15.4403 11.1852 -15.4403 -14.2693 GPRESSAVG: 994200 46.0313 31.1881 11.3104 32.2516 -37.0419 -16.6969 9.67394 -14.2579 -13.9099 TIMING: 994200 CPU: 3100.28, 0.00313493/step Wall: 3100.28, 0.00313493/step, 3.48831 hours remaining, 234.933594 MB of memory in use. ENERGY: 994200 4003.5076 20521.5660 14455.0280 246.2327 -202959.7112 2737.5229 0.0000 0.0000 52093.5086 -108902.3454 299.3821 -160995.8541 -108534.9835 300.0197 244.7528 272.9124 760710.5098 -1.4548 -1.6402 PRESSURE: 994400 -257.658 182.91 -47.6237 182.91 -69.0086 -41.6731 -47.6235 -41.6741 -6.40159 GPRESSURE: 994400 -204.987 125.59 -73.6407 228.951 19.5572 23.5004 -53.5011 38.8726 -76.7152 PRESSAVG: 994400 -16.9205 44.9922 -8.1607 44.9922 4.22946 68.6067 -8.16075 68.6068 46.7472 GPRESSAVG: 994400 -15.7571 44.7854 -8.76847 44.2617 3.1573 69.4718 -7.77596 67.999 46.6961 TIMING: 994400 CPU: 3100.91, 0.00314243/step Wall: 3100.91, 0.00314243/step, 3.49648 hours remaining, 234.933594 MB of memory in use. ENERGY: 994400 3953.3104 20500.9483 14465.7069 236.4609 -203358.0521 2700.5143 0.0000 0.0000 52363.9608 -109137.1505 300.9364 -161501.1113 -108775.9826 299.6993 -111.0229 -87.3818 760405.0921 11.3521 11.3654 PRESSURE: 994600 -7.76775 -81.6017 -202.231 -81.6012 -43.282 46.4874 -202.231 46.4872 28.0932 GPRESSURE: 994600 30.3652 -121.616 -163.413 -91.2725 62.0004 6.93648 -129.079 -27.5031 -13.6796 PRESSAVG: 994600 36.3447 2.48984 10.1646 2.48984 -33.0943 0.227525 10.1646 0.227414 -2.40719 GPRESSAVG: 994600 35.8949 0.469357 12.3296 2.43925 -32.4818 -0.191324 8.5891 2.68706 -2.64671 TIMING: 994600 CPU: 3101.54, 0.0031452/step Wall: 3101.54, 0.0031452/step, 3.49938 hours remaining, 234.933594 MB of memory in use. ENERGY: 994600 4034.7184 20417.4374 14363.1216 237.3214 -203068.3936 2629.8383 0.0000 0.0000 52110.5808 -109275.3758 299.4802 -161385.9566 -108915.7976 299.4818 -7.6522 26.2287 761734.3473 0.2810 0.2555 PRESSURE: 994800 315.825 -68.5021 111.759 -68.5015 -216.727 83.6695 111.76 83.6693 -186.997 GPRESSURE: 994800 292.121 -19.8258 90.4221 -43.2202 -194.257 -3.69439 89.4301 58.3766 -109.447 PRESSAVG: 994800 33.3311 15.0206 -8.0485 15.0205 -73.094 -17.5065 -8.04852 -17.5065 10.1312 GPRESSAVG: 994800 34.344 17.2086 -10.018 13.5863 -74.3143 -18.2228 -6.6127 -18.6633 10.4742 TIMING: 994800 CPU: 3102.16, 0.00313281/step Wall: 3102.16, 0.00313281/step, 3.48542 hours remaining, 234.933594 MB of memory in use. ENERGY: 994800 3959.1207 20566.1503 14455.2976 256.0061 -203070.8453 2675.6978 0.0000 0.0000 52161.4040 -108997.1689 299.7723 -161158.5729 -108642.0855 299.0396 -29.2994 -3.8611 762757.4297 -9.8772 -9.8320 PRESSURE: 995000 -1.4531 148.465 28.147 148.466 9.9191 3.81065 28.1466 3.80936 481.073 GPRESSURE: 995000 48.524 70.3833 -10.4352 72.2928 50.9139 -51.387 -95.3712 22.5799 463.023 PRESSAVG: 995000 107.233 24.4991 57.2658 24.4992 -98.8742 -10.5645 57.2659 -10.5646 22.5249 GPRESSAVG: 995000 107.587 23.463 56.3693 25.4303 -98.5823 -9.43718 58.2185 -10.8343 21.8501 TIMING: 995000 CPU: 3102.79, 0.00313837/step Wall: 3102.79, 0.00313837/step, 3.49144 hours remaining, 234.933594 MB of memory in use. ENERGY: 995000 4038.8258 20556.6143 14464.4507 258.6505 -203289.7832 2807.8803 0.0000 0.0000 52193.0121 -108970.3494 299.9540 -161163.3616 -108597.2136 299.5694 163.1798 187.4868 762754.3545 10.2945 10.2851 PRESSURE: 995200 224.73 176.22 134.546 176.221 52.784 -88.6455 134.545 -88.646 -64.5344 GPRESSURE: 995200 184.433 210.85 188.286 73.0938 138.629 -222.407 78.7106 -31.7749 -13.991 PRESSAVG: 995200 -25.1956 18.0075 13.1276 18.0075 41.2223 34.5457 13.1276 34.5457 3.42777 GPRESSAVG: 995200 -24.7292 20.6661 15.0306 16.1068 41.2933 33.4537 11.8268 36.2551 2.5324 TIMING: 995200 CPU: 3103.42, 0.00313586/step Wall: 3103.42, 0.00313586/step, 3.48847 hours remaining, 234.933594 MB of memory in use. ENERGY: 995200 3953.0829 20626.3151 14388.8269 241.2865 -203121.3085 2764.7497 0.0000 0.0000 52064.3981 -109082.6492 299.2148 -161147.0474 -108715.7285 300.1235 70.9930 103.0235 763199.7056 6.4848 6.3655 PRESSURE: 995400 22.7645 -230.58 -54.9228 -230.58 -346.208 -7.43279 -54.9223 -7.43267 31.111 GPRESSURE: 995400 35.4837 -56.4952 55.8288 -70.4385 -315.066 119.743 -235.426 -101.891 82.6432 PRESSAVG: 995400 53.0126 39.0273 -50.5428 39.0274 -49.1223 6.7913 -50.5427 6.79132 23.9724 GPRESSAVG: 995400 52.1389 38.6991 -50.2973 43.4083 -48.9385 8.90063 -52.0029 3.06916 24.7925 TIMING: 995400 CPU: 3104.05, 0.00315525/step Wall: 3104.05, 0.00315525/step, 3.50986 hours remaining, 234.933594 MB of memory in use. ENERGY: 995400 3993.9194 20559.7079 14422.9972 219.4810 -202772.7404 2439.6430 0.0000 0.0000 52042.7423 -109094.2496 299.0904 -161136.9919 -108730.0797 299.4498 -97.4443 -65.6463 761947.2026 9.2876 9.3310 PRESSURE: 995600 -423.389 -84.3358 -19.1561 -84.3354 8.947 45.2521 -19.1572 45.2514 -331.137 GPRESSURE: 995600 -339.172 -145.736 -72.7619 -18.396 -38.7217 131.984 10.6938 -1.09145 -270.637 PRESSAVG: 995600 -3.81381 -6.23412 -6.94015 -6.23416 24.2428 43.7236 -6.94014 43.7236 5.98144 GPRESSAVG: 995600 -3.64599 -6.0822 -8.50932 -7.21154 24.0865 42.2047 -3.98639 46.6539 5.93561 TIMING: 995600 CPU: 3104.68, 0.0031571/step Wall: 3104.68, 0.00315709/step, 3.51174 hours remaining, 234.933594 MB of memory in use. ENERGY: 995600 3936.4804 20636.0979 14329.2167 250.2387 -202947.1313 2579.6707 0.0000 0.0000 51950.5543 -109264.8728 298.5605 -161215.4271 -108897.5979 299.6536 -248.5265 -216.1769 761698.3257 8.8035 8.7920 PRESSURE: 995800 73.2953 -190.051 -102.039 -190.05 132.711 -10.0719 -102.039 -10.0721 270.631 GPRESSURE: 995800 147.6 -165.512 -68.5591 -233.533 125.86 -76.7267 -45.8534 144.226 285.038 PRESSAVG: 995800 27.8962 6.32973 51.4162 6.32977 11.0759 2.30587 51.4163 2.30584 -14.5031 GPRESSAVG: 995800 28.9704 4.14962 54.0518 5.80439 10.5426 3.61678 48.7672 2.19697 -14.2284 TIMING: 995800 CPU: 3105.31, 0.00314104/step Wall: 3105.31, 0.00314104/step, 3.49371 hours remaining, 234.933594 MB of memory in use. ENERGY: 995800 4018.6772 20604.0140 14385.0607 234.0837 -203558.9732 3059.3742 0.0000 0.0000 51852.4877 -109405.2756 297.9970 -161257.7634 -109052.6088 298.8640 158.8788 186.1658 763144.5593 8.1564 8.4282 PRESSURE: 996000 -62.2346 72.0985 -119.166 72.0991 81.8306 165.748 -119.167 165.748 327.012 GPRESSURE: 996000 39.7602 -14.4117 -93.0992 12.5228 74.2623 132.73 -81.5181 105.635 303.795 PRESSAVG: 996000 16.3446 -30.6008 30.1621 -30.6009 -24.9021 -45.3568 30.1621 -45.3569 7.95827 GPRESSAVG: 996000 16.5829 -29.5857 28.2529 -32.0426 -23.9945 -45.5102 31.0939 -47.0042 6.60448 TIMING: 996000 CPU: 3105.94, 0.00314789/step Wall: 3105.94, 0.00314789/step, 3.50115 hours remaining, 234.933594 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: 996000 3998.4474 20606.6829 14440.0065 253.3079 -203273.8735 2700.1009 0.0000 0.0000 51834.8729 -109440.4550 297.8957 -161275.3279 -109079.7025 298.6800 115.5360 139.2726 761744.5358 -0.1997 -0.2690 PRESSURE: 996200 268.668 28.3507 168.735 28.3509 -140.971 216.811 168.735 216.811 108.263 GPRESSURE: 996200 243.883 -60.3145 112.969 118.038 -83.0049 135.46 199.776 245.812 153.429 PRESSAVG: 996200 2.28784 4.36348 4.76764 4.36344 -8.61421 37.2172 4.76763 37.2172 8.95501 GPRESSAVG: 996200 2.98992 2.79064 4.10876 5.19146 -9.12077 37.1422 5.22725 38.4167 8.42583 TIMING: 996200 CPU: 3106.57, 0.00315436/step Wall: 3106.57, 0.00315436/step, 3.50818 hours remaining, 234.933594 MB of memory in use. ENERGY: 996200 4040.5390 20507.5507 14419.5807 242.6653 -203321.2059 2868.8017 0.0000 0.0000 52048.1693 -109193.8992 299.1215 -161242.0685 -108840.5860 299.0185 78.6535 104.7689 763247.9320 0.8762 0.7650 LDB: ============= START OF LOAD BALANCING ============== 3119.05 LDB: ============== END OF LOAD BALANCING =============== 3119.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3119.05 LDB: ============= START OF LOAD BALANCING ============== 3119.37 LDB: Largest compute 7059 load 0.030515 is 15.6% of average load 0.195076 LDB: Average compute 0.004401 is 2.3% of average load 0.195076 LDB: TIME 3119.37 LOAD: AVG 0.195076 MAX 0.219307 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.461 MB LDB: TIME 3119.37 LOAD: AVG 0.195076 MAX 0.219307 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.465 MB LDB: TIME 3119.37 LOAD: AVG 0.195076 MAX 0.21669 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.465 MB LDB: ============== END OF LOAD BALANCING =============== 3119.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3119.38 PRESSURE: 996400 207.08 116.89 -71.9915 116.89 143.726 108.438 -71.9914 108.437 45.8678 GPRESSURE: 996400 206.01 145.592 -118.544 48.7613 165.942 151.516 -52.7175 -79.754 117.375 PRESSAVG: 996400 28.7462 29.9866 -18.7156 29.9867 -39.3308 -10.1693 -18.7155 -10.1694 24.6358 GPRESSAVG: 996400 27.1339 29.9393 -17.8012 31.3572 -39.2214 -11.9421 -18.4934 -10.2697 26.247 TIMING: 996400 CPU: 3107.21, 0.0032121/step Wall: 3107.21, 0.0032121/step, 3.57221 hours remaining, 232.890625 MB of memory in use. ENERGY: 996400 3987.7071 20487.4350 14426.7998 253.6350 -203427.5443 2913.8962 0.0000 0.0000 52152.4708 -109205.6005 299.7210 -161358.0713 -108853.1458 299.3788 132.2247 163.1089 763343.6900 4.6837 4.7199 PRESSURE: 996600 -189.23 93.6586 -8.66328 93.6595 239.949 -103.409 -8.66182 -103.408 -209.572 GPRESSURE: 996600 -49.5028 92.8559 0.0328417 64.1045 179.323 -68.4114 71.5876 -26.7614 -224.12 PRESSAVG: 996600 27.9322 -10.2887 32.0707 -10.2887 -46.9396 -29.6284 32.0708 -29.6285 9.00547 GPRESSAVG: 996600 27.6435 -9.19459 31.9566 -11.4188 -47.1487 -28.8013 30.1548 -29.2447 8.98147 TIMING: 996600 CPU: 3107.84, 0.00315054/step Wall: 3107.84, 0.00315053/step, 3.50357 hours remaining, 232.890625 MB of memory in use. ENERGY: 996600 3949.3489 20602.4028 14427.6611 255.2345 -203404.1528 2867.8044 0.0000 0.0000 52066.4491 -109235.2520 299.2266 -161301.7011 -108870.9753 299.4137 -52.9510 -31.4331 761525.4809 -3.3340 -3.5079 PRESSURE: 996800 35.7117 -150.249 -24.4212 -150.249 403.977 48.7226 -24.4212 48.7228 -8.10034 GPRESSURE: 996800 83.8321 -118.516 -38.8672 -94.0349 431.841 152.771 21.7636 42.1426 -8.32705 PRESSAVG: 996800 9.44105 21.6155 3.81641 21.6155 15.746 -20.9773 3.81645 -20.9773 0.910839 GPRESSAVG: 996800 10.4721 22.1817 2.46524 20.1001 14.2906 -20.0202 5.6174 -19.5883 0.838668 TIMING: 996800 CPU: 3108.47, 0.00314646/step Wall: 3108.47, 0.00314646/step, 3.49886 hours remaining, 232.890625 MB of memory in use. ENERGY: 996800 3973.5839 20518.7426 14424.5504 243.8117 -203374.1486 2846.4083 0.0000 0.0000 52275.1426 -109091.9090 300.4260 -161367.0517 -108730.5735 298.8658 143.8628 169.1153 763446.4530 8.6993 8.5338 PRESSURE: 997000 191.018 6.16577 48.3775 6.16572 53.8628 181.598 48.3778 181.598 -236.917 GPRESSURE: 997000 116.943 -86.2444 35.7662 -28.3762 97.0661 239.421 -37.9427 30.7037 -107.779 PRESSAVG: 997000 11.6648 -57.7698 9.90042 -57.7699 -10.7833 -17.1918 9.90045 -17.1918 -11.422 GPRESSAVG: 997000 10.7398 -58.4209 12.2066 -55.2078 -9.44562 -16.6165 7.74695 -21.7843 -11.4861 TIMING: 997000 CPU: 3109.1, 0.00314098/step Wall: 3109.1, 0.00314098/step, 3.49259 hours remaining, 232.890625 MB of memory in use. ENERGY: 997000 4101.8219 20506.4594 14439.4029 248.1142 -203286.2203 2764.8263 0.0000 0.0000 52086.8495 -109138.7462 299.3438 -161225.5957 -108773.9433 299.3210 2.6549 35.4101 763582.7591 -3.5135 -3.3973 PRESSURE: 997200 -433.07 -169.461 -94.1496 -169.461 -513.381 -75.7523 -94.1498 -75.7527 107.686 GPRESSURE: 997200 -413.847 -281.97 -128.605 -98.1123 -392.672 -33.8399 4.83165 -118.025 61.9387 PRESSAVG: 997200 -24.7876 -66.0256 -1.98016 -66.0255 5.54379 -31.5476 -1.98011 -31.5477 5.8647 GPRESSAVG: 997200 -25.2977 -65.6059 -2.91202 -66.4006 6.22687 -33.0172 1.50669 -30.3488 6.04971 TIMING: 997200 CPU: 3109.72, 0.00312496/step Wall: 3109.72, 0.00312496/step, 3.47461 hours remaining, 232.890625 MB of memory in use. ENERGY: 997200 4013.4277 20678.2584 14375.0252 253.4762 -203009.7456 2722.4344 0.0000 0.0000 51861.7676 -109105.3560 298.0503 -160967.1236 -108741.3074 299.6657 -279.5885 -248.1935 764564.0544 -4.4597 -4.3404 PRESSURE: 997400 74.6143 -116.493 107.16 -116.494 -322.484 35.9593 107.16 35.961 -294.104 GPRESSURE: 997400 18.5224 -57.786 3.91019 -142.628 -161.166 0.581565 151.873 -10.4586 -320.536 PRESSAVG: 997400 25.3301 -25.429 34.8637 -25.429 -25.2785 -37.8317 34.8637 -37.8316 0.500411 GPRESSAVG: 997400 26.2332 -25.0954 34.8331 -26.3459 -26.5015 -39.5308 34.1577 -39.1918 0.379054 TIMING: 997400 CPU: 3110.35, 0.00315262/step Wall: 3110.35, 0.00315262/step, 3.50518 hours remaining, 232.890625 MB of memory in use. ENERGY: 997400 3956.1221 20526.7579 14468.3248 249.5477 -202530.1045 2264.3568 0.0000 0.0000 52059.1668 -109005.8286 299.1847 -161064.9953 -108644.8090 299.6869 -180.6581 -154.3933 762817.7064 0.1840 0.0369 PRESSURE: 997600 -52.1736 28.0339 18.7247 28.0342 227.692 -169.544 18.7249 -169.543 102.514 GPRESSURE: 997600 28.8472 -57.5769 34.7939 60.6865 246.691 -167.376 -110.302 -100.83 103.128 PRESSAVG: 997600 36.7191 -30.0286 20.8348 -30.0286 -41.9898 -60.8079 20.8348 -60.8078 -1.78674 GPRESSAVG: 997600 35.587 -31.3344 21.6162 -28.5825 -41.087 -60.1116 18.9879 -56.8567 -1.70498 TIMING: 997600 CPU: 3110.98, 0.00314763/step Wall: 3110.98, 0.00314763/step, 3.49947 hours remaining, 232.890625 MB of memory in use. ENERGY: 997600 3948.1418 20600.2271 14388.7601 241.8395 -203548.5189 3046.5110 0.0000 0.0000 52203.8118 -109119.2276 300.0160 -161323.0394 -108763.3084 299.7752 92.6775 126.2221 761508.0161 -2.3525 -2.4017 PRESSURE: 997800 -316.613 44.4248 -32.5526 44.4256 -543.886 40.5542 -32.5528 40.5532 -23.2676 GPRESSURE: 997800 -230.943 141.207 -72.7016 18.1045 -522.676 53.1157 -39.3434 -44.7734 -41.2137 PRESSAVG: 997800 -25.9251 -44.3931 -14.1465 -44.3932 2.9093 17.6309 -14.1466 17.6309 -0.991962 GPRESSAVG: 997800 -25.4524 -41.5271 -12.6522 -44.4862 1.47149 16.9727 -14.7909 16.9721 -0.548954 TIMING: 997800 CPU: 3111.61, 0.00314892/step Wall: 3111.61, 0.00314892/step, 3.50073 hours remaining, 232.890625 MB of memory in use. ENERGY: 997800 3985.1577 20533.8565 14387.5512 268.5900 -202923.9202 2388.5225 0.0000 0.0000 52115.5425 -109244.6997 299.5087 -161360.2422 -108891.3799 299.2178 -294.5887 -264.9442 763068.5355 -8.0026 -8.1766 PRESSURE: 998000 211.496 87.2933 -32.0344 87.2936 198.188 69.781 -32.034 69.7819 331.255 GPRESSURE: 998000 218.632 90.2841 -118.864 143.479 313.401 124.097 -29.9828 1.63602 277.672 PRESSAVG: 998000 26.3973 -31.428 33.6854 -31.428 -40.0408 16.2612 33.6854 16.2611 18.1058 GPRESSAVG: 998000 26.739 -31.7028 32.1708 -32.4421 -39.4237 19.0472 33.7906 12.9867 17.1969 TIMING: 998000 CPU: 3112.25, 0.00315913/step Wall: 3112.25, 0.00315913/step, 3.5119 hours remaining, 232.890625 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: 998000 3985.9246 20430.1299 14412.2097 259.5779 -203175.9026 2905.5557 0.0000 0.0000 52035.2644 -109147.2404 299.0474 -161182.5048 -108783.5394 299.1478 246.9798 269.9014 762714.2429 1.4874 1.5041 PRESSURE: 998200 -125.123 -104.203 -12.0913 -104.205 139.114 -34.8585 -12.092 -34.8575 561.9 GPRESSURE: 998200 -79.1188 -187.523 11.6858 -76.0019 167.184 -8.23076 87.8637 4.46626 563.047 PRESSAVG: 998200 -4.8 -30.3784 20.6188 -30.3784 10.9321 -4.8452 20.6189 -4.84515 17.9612 GPRESSAVG: 998200 -4.6987 -32.3123 20.6615 -27.627 11.7373 -5.35992 22.507 -4.00843 17.0491 TIMING: 998200 CPU: 3112.88, 0.00315709/step Wall: 3112.88, 0.00315709/step, 3.50946 hours remaining, 232.890625 MB of memory in use. ENERGY: 998200 3898.6836 20560.9937 14405.3720 245.0313 -203291.9404 2917.0715 0.0000 0.0000 52132.2293 -109132.5590 299.6046 -161264.7883 -108771.7964 299.3047 191.9636 217.0375 762594.2101 8.0311 8.0292 PRESSURE: 998400 358.087 -7.76515 1.99425 -7.76473 348.861 -7.22062 1.99522 -7.22049 467.827 GPRESSURE: 998400 441.867 51.5027 59.7713 66.9987 339.113 -79.1905 -109.709 -7.39479 478.899 PRESSAVG: 998400 23.809 -20.2411 -1.93796 -20.2412 -17.7568 40.7536 -1.93792 40.7535 6.88686 GPRESSAVG: 998400 24.5556 -18.4084 -0.793368 -21.5228 -19.7245 38.9884 -3.74719 42.0288 8.13304 TIMING: 998400 CPU: 3113.51, 0.00314465/step Wall: 3113.51, 0.00314465/step, 3.49545 hours remaining, 232.890625 MB of memory in use. ENERGY: 998400 3932.5412 20499.5182 14480.6370 249.0919 -203055.3021 2694.1129 0.0000 0.0000 52081.8079 -109117.5929 299.3149 -161199.4009 -108755.2303 299.3635 391.5918 419.9595 761007.5234 4.3130 4.3214 PRESSURE: 998600 -204.186 81.6725 -29.5476 81.6733 24.0561 85.8526 -29.5468 85.8526 -274.515 GPRESSURE: 998600 -145.243 70.9228 -142.18 105.564 -31.5441 68.2219 59.2868 -30.2733 -198.737 PRESSAVG: 998600 37.9476 4.70419 -25.2249 4.70418 -19.8629 -22.8934 -25.2249 -22.8933 -6.00513 GPRESSAVG: 998600 37.7434 3.68349 -25.157 4.9571 -19.9828 -22.0834 -26.0562 -23.726 -5.84269 TIMING: 998600 CPU: 3114.13, 0.00314129/step Wall: 3114.13, 0.00314129/step, 3.49155 hours remaining, 232.890625 MB of memory in use. ENERGY: 998600 3963.8187 20548.5413 14508.8152 244.7879 -202762.6998 2604.7392 0.0000 0.0000 51875.6234 -109016.3742 298.1299 -160891.9976 -108659.4447 299.7828 -151.5481 -125.1747 764281.4372 4.0265 3.9726 PRESSURE: 998800 141.035 -267.31 81.5237 -267.311 86.7256 -74.7926 81.5228 -74.7928 350.499 GPRESSURE: 998800 165.185 -297.111 100.44 -205.079 154.287 -109.41 13.0486 92.7954 361.509 PRESSAVG: 998800 29.6354 -26.5843 -15.1367 -26.5843 -19.7283 9.13385 -15.1368 9.13382 -9.12929 GPRESSAVG: 998800 28.8467 -27.2692 -17.0533 -26.8694 -18.2182 8.14268 -12.8517 9.98738 -9.65272 TIMING: 998800 CPU: 3114.77, 0.0031552/step Wall: 3114.77, 0.0031552/step, 3.50683 hours remaining, 232.890625 MB of memory in use. ENERGY: 998800 4022.3262 20508.3890 14455.5895 257.9721 -202839.7072 2813.3556 0.0000 0.0000 51824.2847 -108957.7900 297.8349 -160782.0747 -108589.3108 299.3345 192.7533 226.9939 764033.3496 0.2593 0.3253 PRESSURE: 999000 -314.669 -139.675 86.9805 -139.675 31.0301 47.7596 86.9811 47.7593 -385.147 GPRESSURE: 999000 -303.696 -60.4936 157.724 -136.097 43.3503 15.6041 59.4923 12.7909 -354.122 PRESSAVG: 999000 36.3031 -12.425 -33.5036 -12.4249 -27.8936 53.4171 -33.5035 53.4171 -13.6658 GPRESSAVG: 999000 35.7929 -11.2241 -34.1286 -13.7599 -28.9081 54.0467 -34.8971 54.7997 -12.8527 TIMING: 999000 CPU: 3115.39, 0.00313978/step Wall: 3115.39, 0.00313978/step, 3.48951 hours remaining, 232.890625 MB of memory in use. ENERGY: 999000 4104.6624 20539.7119 14425.4743 242.8012 -203113.0510 2470.5274 0.0000 0.0000 52238.5138 -109091.3600 300.2155 -161329.8738 -108723.0570 299.4499 -222.9287 -204.8227 764125.3531 -1.7521 -1.9893 PRESSURE: 999200 -21.9122 131.242 -150.556 131.242 -9.00347 144.07 -150.556 144.071 -126.113 GPRESSURE: 999200 -3.24049 244.747 -100.755 130.601 83.5513 160.635 -141.195 55.1639 -149.825 PRESSAVG: 999200 1.70147 30.5021 -15.8723 30.5021 35.8987 -4.335 -15.8723 -4.33505 27.8393 GPRESSAVG: 999200 4.17765 30.7912 -15.0002 31.768 34.9073 -4.51197 -13.9699 -7.41178 26.7446 TIMING: 999200 CPU: 3116.02, 0.00315485/step Wall: 3116.02, 0.00315485/step, 3.50609 hours remaining, 232.890625 MB of memory in use. ENERGY: 999200 3984.8831 20498.6863 14430.6496 270.6039 -203598.8495 3103.8972 0.0000 0.0000 52131.9976 -109178.1318 299.6033 -161310.1294 -108807.9175 299.3786 -52.3429 -23.1713 763937.3744 21.8132 21.9432 PRESSURE: 999400 102.91 -153.195 -54.9944 -153.195 -181.73 118.641 -54.9942 118.642 144.842 GPRESSURE: 999400 114.634 -58.362 -76.1269 -125.291 -95.9517 105.064 -55.4419 135.788 151.361 PRESSAVG: 999400 33.7299 -21.6502 59.0635 -21.6502 -46.0128 -4.41318 59.0635 -4.41318 -13.6074 GPRESSAVG: 999400 31.4102 -22.4677 60.0005 -20.7733 -44.3712 -4.11201 57.6006 -4.66628 -12.5681 TIMING: 999400 CPU: 3116.65, 0.0031431/step Wall: 3116.65, 0.0031431/step, 3.49286 hours remaining, 232.890625 MB of memory in use. ENERGY: 999400 4031.7445 20506.5888 14377.9402 241.7723 -203227.5633 2786.2992 0.0000 0.0000 51926.1889 -109357.0295 298.4205 -161283.2184 -109000.8864 298.7229 22.0072 56.6811 762743.4161 -8.6301 -8.5097 PRESSURE: 999600 28.6231 -103.68 112.772 -103.681 175.017 -305.522 112.771 -305.521 -232.809 GPRESSURE: 999600 51.4292 -197.446 136.787 -224.923 175.101 -253.141 62.0499 -402.791 -165.519 PRESSAVG: 999600 11.063 -38.9523 -33.4975 -38.9522 -26.1588 12.086 -33.4976 12.086 16.8828 GPRESSAVG: 999600 11.221 -39.9079 -37.1935 -38.6776 -26.4843 13.7762 -33.0768 11.5452 17.1485 TIMING: 999600 CPU: 3117.28, 0.0031234/step Wall: 3117.28, 0.00312339/step, 3.47079 hours remaining, 232.890625 MB of memory in use. ENERGY: 999600 3951.4284 20441.6670 14389.5660 244.8247 -203487.2781 2811.3632 0.0000 0.0000 51937.9337 -109710.4950 298.4880 -161648.4287 -109343.8423 298.1089 -9.7231 20.3373 762735.7715 0.5957 0.6284 PRESSURE: 999800 238.542 -57.7184 83.2943 -57.718 142.156 -67.5161 83.2935 -67.5155 344.763 GPRESSURE: 999800 222.35 -40.7154 82.9162 -123.484 211.522 37.6009 -17.0962 -13.8182 373.165 PRESSAVG: 999800 46.7696 -40.9093 -3.24158 -40.9092 -28.3377 -12.1039 -3.2416 -12.1038 12.2975 GPRESSAVG: 999800 47.7695 -37.6527 -0.811682 -46.1163 -29.0778 -14.4346 -3.4891 -9.75982 11.9795 TIMING: 999800 CPU: 3117.91, 0.00314661/step Wall: 3117.91, 0.00314661/step, 3.49641 hours remaining, 232.890625 MB of memory in use. ENERGY: 999800 3932.1352 20542.4007 14357.7921 256.6363 -203337.5156 2788.8510 0.0000 0.0000 51936.8133 -109522.8870 298.4816 -161459.7003 -109168.2727 298.1728 241.8203 269.0124 761316.2745 10.2431 10.2237 PRESSURE: 1000000 -217.361 -42.6267 -40.2156 -42.627 -196.376 63.1687 -40.2157 63.1694 -288.049 GPRESSURE: 1000000 -135.905 -85.5125 10.3432 -64.6525 -205.596 86.8206 18.5706 61.4301 -275.892 PRESSAVG: 1000000 45.6999 9.60456 -27.2578 9.60451 -36.9032 36.8422 -27.2578 36.8422 17.2971 GPRESSAVG: 1000000 45.6498 6.50071 -26.64 14.3891 -37.4931 37.0576 -26.575 35.9372 17.5892 TIMING: 1000000 CPU: 3118.54, 0.00315702/step Wall: 3118.54, 0.00315702/step, 3.5078 hours remaining, 232.890625 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: 1000000 4019.3560 20521.2039 14436.4992 238.1772 -203389.7134 2811.0201 0.0000 0.0000 52192.8622 -109170.5947 299.9531 -161363.4569 -108808.1557 298.7959 -233.9285 -205.7975 761629.0810 8.6979 8.5819 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1000000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1000000 WRITING COORDINATES TO RESTART FILE AT STEP 1000000 FINISHED WRITING RESTART COORDINATES The last position output (seq=1000000) takes 0.014 seconds, 232.891 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 1000000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1000200 -77.0197 163.493 -47.8234 163.495 -155.469 -83.9787 -47.8228 -83.9789 -18.9375 GPRESSURE: 1000200 -127.526 222.451 -207.32 168.555 -97.1799 -39.1966 4.63625 -22.5092 65.7807 PRESSAVG: 1000200 32.7388 -18.777 10.0689 -18.777 -12.0012 56.2825 10.069 56.2825 14.348 GPRESSAVG: 1000200 31.9219 -17.9272 9.86659 -21.3493 -11.8851 57.7893 9.69701 54.8589 15.2626 TIMING: 1000200 CPU: 3119.19, 0.00325166/step Wall: 3119.19, 0.00325166/step, 3.61278 hours remaining, 232.890625 MB of memory in use. ENERGY: 1000200 3996.8543 20554.4370 14412.5762 265.9591 -203252.4655 2779.6203 0.0000 0.0000 52091.7277 -109151.2908 299.3719 -161243.0186 -108790.5540 299.4797 -83.8088 -52.9751 763287.9960 11.6952 11.7665 LDB: ============= START OF LOAD BALANCING ============== 3131.67 LDB: ============== END OF LOAD BALANCING =============== 3131.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3131.67 LDB: ============= START OF LOAD BALANCING ============== 3131.99 LDB: Largest compute 7059 load 0.034265 is 17.6% of average load 0.195082 LDB: Average compute 0.004402 is 2.3% of average load 0.195082 LDB: TIME 3131.99 LOAD: AVG 0.195082 MAX 0.213807 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.434 MB LDB: TIME 3131.99 LOAD: AVG 0.195082 MAX 0.213807 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.473 MB LDB: TIME 3131.99 LOAD: AVG 0.195082 MAX 0.213807 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.473 MB LDB: ============== END OF LOAD BALANCING =============== 3131.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3132 PRESSURE: 1000400 -14.3089 67.9723 -199.255 67.9729 -507.77 8.07678 -199.255 8.07559 -220.096 GPRESSURE: 1000400 -60.4019 43.5617 -211.072 238.272 -415.658 -91.9501 -41.5386 94.2857 -176.55 PRESSAVG: 1000400 -5.91742 2.25398 34.8661 2.25398 -17.1138 23.37 34.866 23.37 13.4264 GPRESSAVG: 1000400 -6.0377 1.99308 35.1085 2.84716 -15.9699 22.7504 35.5685 25.5482 12.5615 TIMING: 1000400 CPU: 3119.83, 0.00322105/step Wall: 3119.83, 0.00322105/step, 3.57859 hours remaining, 233.539062 MB of memory in use. ENERGY: 1000400 3957.0821 20622.2075 14424.7033 235.8884 -202871.0719 2606.8461 0.0000 0.0000 52085.4824 -108938.8622 299.3360 -161024.3445 -108568.1944 299.8679 -247.3915 -217.5367 763689.6890 -3.2016 -3.1487 PRESSURE: 1000600 -122.854 -3.29961 -390.761 -3.29938 -316.376 -39.3866 -390.761 -39.3857 -190.06 GPRESSURE: 1000600 -196.194 -74.9737 -459.112 42.2855 -220.135 -198.487 -202.733 -37.8232 -142.143 PRESSAVG: 1000600 46.4692 21.0342 -40.3739 21.0341 -43.5261 -14.4886 -40.374 -14.4885 -35.5245 GPRESSAVG: 1000600 46.7894 23.0822 -42.2038 22.077 -43.0429 -13.6074 -39.4034 -16.3488 -36.1787 TIMING: 1000600 CPU: 3120.46, 0.00315841/step Wall: 3120.46, 0.00315841/step, 3.50882 hours remaining, 233.539062 MB of memory in use. ENERGY: 1000600 4006.5302 20497.7437 14348.9108 249.1395 -202545.2601 2457.4152 0.0000 0.0000 52057.7920 -108927.7286 299.1768 -160985.5206 -108552.7741 299.7402 -209.7630 -186.1574 762882.6202 -10.8604 -10.8107 PRESSURE: 1000800 -349.226 -2.60513 105.897 -2.60507 -33.359 -132.025 105.898 -132.024 -175.725 GPRESSURE: 1000800 -257.438 -48.0868 234.85 78.6182 -18.4744 -102.015 156.06 -207.191 -170.86 PRESSAVG: 1000800 34.849 59.0778 -42.9794 59.0779 -54.5858 -20.3048 -42.9795 -20.3047 -12.1854 GPRESSAVG: 1000800 34.4833 58.2853 -40.96 57.7362 -54.9749 -20.5532 -42.3316 -21.602 -11.4732 TIMING: 1000800 CPU: 3121.09, 0.00314658/step Wall: 3121.09, 0.00314658/step, 3.4955 hours remaining, 233.539062 MB of memory in use. ENERGY: 1000800 3954.6341 20631.8677 14407.0366 224.0106 -203036.0177 2758.0225 0.0000 0.0000 52196.0365 -108864.4097 299.9713 -161060.4462 -108500.8581 300.1391 -186.1033 -148.9240 762769.6108 -10.6407 -10.6549 PRESSURE: 1001000 -159.518 174.257 130.515 174.257 -238.557 -241.225 130.515 -241.224 256.851 GPRESSURE: 1001000 -75.11 213.004 62.2684 220.007 -259.446 -218.849 66.4682 -279.698 286.478 PRESSAVG: 1001000 -37.5178 -18.2179 14.1542 -18.2178 1.55152 -6.45139 14.1542 -6.45137 21.3222 GPRESSAVG: 1001000 -37.1374 -18.2838 12.827 -18.0583 2.86147 -6.60755 12.8059 -4.34725 19.7409 TIMING: 1001000 CPU: 3121.72, 0.00314795/step Wall: 3121.72, 0.00314795/step, 3.49684 hours remaining, 233.539062 MB of memory in use. ENERGY: 1001000 4012.7169 20738.6907 14453.3759 245.5795 -202964.4657 2668.3260 0.0000 0.0000 52183.4055 -108662.3713 299.8987 -160845.7768 -108295.9266 300.1185 -47.0750 -16.0261 763401.5006 -4.8814 -4.8450 PRESSURE: 1001200 -521.761 159.916 368.621 159.915 -166.845 284.069 368.622 284.069 -316.56 GPRESSURE: 1001200 -458.99 108.975 467.378 209.584 -220.035 288.712 269.378 389.063 -241.879 PRESSAVG: 1001200 5.36439 3.13676 -3.67382 3.13676 33.358 -8.77784 -3.67381 -8.77778 17.7996 GPRESSAVG: 1001200 5.95112 3.38575 0.311437 3.70611 31.6207 -10.1439 -5.59284 -8.16817 18.8566 TIMING: 1001200 CPU: 3122.35, 0.0031264/step Wall: 3122.35, 0.0031264/step, 3.47273 hours remaining, 233.539062 MB of memory in use. ENERGY: 1001200 4074.4205 20536.7124 14422.7983 248.1955 -203000.6702 2586.5073 0.0000 0.0000 52335.5615 -108796.4746 300.7732 -161132.0362 -108437.5227 300.6492 -335.0556 -306.9679 762620.9327 18.8407 18.8095 PRESSURE: 1001400 166.23 94.5704 -13.8704 94.5708 -77.2788 166.947 -13.8706 166.946 -49.2936 GPRESSURE: 1001400 209.976 92.7158 -18.0637 142.321 98.7463 245.08 -10.1107 41.1873 -177.503 PRESSAVG: 1001400 -58.5442 39.6975 25.7179 39.6975 37.4835 34.5966 25.7179 34.5967 29.4132 GPRESSAVG: 1001400 -59.636 38.8617 22.8574 39.9136 38.985 34.0392 27.6741 35.5101 29.4239 TIMING: 1001400 CPU: 3122.98, 0.00313585/step Wall: 3122.98, 0.00313585/step, 3.48306 hours remaining, 233.539062 MB of memory in use. ENERGY: 1001400 3977.8977 20589.1222 14429.9329 261.7704 -202831.5383 2508.4908 0.0000 0.0000 52377.6919 -108686.6324 301.0153 -161064.3243 -108320.5517 300.4009 13.2193 43.7397 763196.4385 2.7842 2.9243 PRESSURE: 1001600 -276.829 -19.8482 -38.4763 -19.8489 78.6796 -237.312 -38.4758 -237.312 199.193 GPRESSURE: 1001600 -238.873 -39.2154 -48.1344 -18.9957 108.573 -216.537 -45.6158 -192.477 233.334 PRESSAVG: 1001600 13.3567 -13.8712 5.53693 -13.8713 -66.5915 40.9038 5.53692 40.9039 7.18909 GPRESSAVG: 1001600 13.7304 -13.6089 5.16427 -13.6834 -68.6883 41.5718 5.56301 39.7587 9.12749 TIMING: 1001600 CPU: 3123.6, 0.00313267/step Wall: 3123.6, 0.00313267/step, 3.47935 hours remaining, 233.539062 MB of memory in use. ENERGY: 1001600 3934.9692 20766.0951 14356.6303 265.1616 -203004.9635 2649.9148 0.0000 0.0000 52320.6193 -108711.5732 300.6873 -161032.1926 -108352.2639 300.2932 0.3477 34.3446 762768.6334 -15.3486 -15.2768 PRESSURE: 1001800 -229.955 -44.9715 205.414 -44.9718 -141.645 159.744 205.413 159.744 7.51289 GPRESSURE: 1001800 -167.661 -5.93776 174.124 -69.9548 -78.5836 82.6797 110.995 174.509 -26.4765 PRESSAVG: 1001800 25.4224 5.28172 1.51905 5.28169 -3.33137 -23.4917 1.51906 -23.4918 4.97861 GPRESSAVG: 1001800 25.8845 6.58298 2.30911 4.20465 -1.19057 -21.8047 0.80876 -25.0287 2.82444 TIMING: 1001800 CPU: 3124.23, 0.00312777/step Wall: 3124.23, 0.00312777/step, 3.47374 hours remaining, 233.539062 MB of memory in use. ENERGY: 1001800 3963.8402 20592.8867 14403.5075 268.4298 -202858.7223 2687.4066 0.0000 0.0000 52198.6148 -108744.0367 299.9862 -160942.6515 -108383.3558 300.5237 -121.3624 -90.9069 762477.9740 9.0232 9.1728 PRESSURE: 1002000 21.583 138.575 -106.582 138.576 253.408 -182.6 -106.582 -182.599 -96.5133 GPRESSURE: 1002000 88.1595 122.125 -131.322 99.6256 159.229 12.7432 78.496 -171.059 -8.13059 PRESSAVG: 1002000 28.7482 -37.9237 5.64112 -37.9237 -49.5477 4.58829 5.64116 4.58833 -6.77063 GPRESSAVG: 1002000 27.4158 -38.2351 4.0199 -36.6891 -50.2181 4.35003 9.56639 6.4407 -5.0683 TIMING: 1002000 CPU: 3124.86, 0.00315712/step Wall: 3124.86, 0.00315712/step, 3.50616 hours remaining, 233.539062 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: 1002000 3974.1163 20751.4337 14407.5693 269.6840 -202823.3600 2547.6283 0.0000 0.0000 52150.4846 -108722.4439 299.7096 -160872.9285 -108358.2325 299.5931 59.4926 79.7527 762130.2746 -9.1900 -9.2902 PRESSURE: 1002200 -259.162 -58.6036 11.1987 -58.603 -344.156 77.2108 11.1991 77.2112 -45.1384 GPRESSURE: 1002200 -224.33 -41.2963 55.6627 42.3135 -235.71 -24.2952 -11.8531 65.5898 -106.55 PRESSAVG: 1002200 -8.82795 -16.3121 11.1416 -16.312 -12.5123 43.2128 11.1416 43.2128 18.7606 GPRESSAVG: 1002200 -8.37554 -17.8812 13.084 -17.4481 -12.0747 42.2169 10.2446 41.7198 17.2651 TIMING: 1002200 CPU: 3125.49, 0.00314576/step Wall: 3125.49, 0.00314576/step, 3.49337 hours remaining, 233.539062 MB of memory in use. ENERGY: 1002200 4038.4931 20714.9054 14372.6521 262.0177 -202597.3440 2464.8574 0.0000 0.0000 52160.6377 -108583.7806 299.7679 -160744.4183 -108220.2424 300.0870 -216.1521 -188.8631 762597.2639 -0.8599 -1.0617 PRESSURE: 1002400 -121.594 17.9335 28.0756 17.9345 -151.415 68.8023 28.0753 68.8023 -46.0743 GPRESSURE: 1002400 -82.2143 26.8518 70.66 57.7773 -43.7406 -11.2404 10.3618 92.4092 -107.662 PRESSAVG: 1002400 35.9703 13.8903 -35.9021 13.8903 -3.86129 -3.84776 -35.902 -3.84777 -13.303 GPRESSAVG: 1002400 35.245 13.8712 -37.0762 15.6821 -3.86536 -2.19905 -39.2282 -3.99326 -12.3845 TIMING: 1002400 CPU: 3126.11, 0.00312256/step Wall: 3126.11, 0.00312256/step, 3.46743 hours remaining, 233.539062 MB of memory in use. ENERGY: 1002400 4066.6507 20703.1364 14383.1031 237.6846 -203109.8302 2698.5634 0.0000 0.0000 52275.7951 -108744.8968 300.4297 -161020.6919 -108379.7151 300.5928 -106.3611 -77.8722 762751.4403 6.2686 6.3317 PRESSURE: 1002600 -290.583 -55.6566 -298.202 -55.6573 86.5089 56.6065 -298.203 56.6067 -84.5171 GPRESSURE: 1002600 -220.54 -75.5454 -302.461 -53.4854 74.377 -11.2856 -211.888 166.618 -66.8247 PRESSAVG: 1002600 17.197 -33.9167 8.09783 -33.9168 -34.699 0.841465 8.09778 0.841442 6.35552 GPRESSAVG: 1002600 17.5699 -32.8254 8.81845 -35.7334 -34.3281 0.45826 8.2656 1.5139 5.84337 TIMING: 1002600 CPU: 3126.74, 0.00314071/step Wall: 3126.74, 0.00314071/step, 3.48741 hours remaining, 233.539062 MB of memory in use. ENERGY: 1002600 4022.4571 20596.0627 14429.0990 250.4138 -203400.6471 2862.0781 0.0000 0.0000 52390.4917 -108850.0446 301.0889 -161240.5363 -108485.0470 300.0942 -96.1972 -70.9960 763440.2546 -3.7155 -3.6383 PRESSURE: 1002800 -304.99 191.009 -16.08 191.009 -272.657 -181.842 -16.0801 -181.843 55.7775 GPRESSURE: 1002800 -224.734 136.827 63.9171 131.641 -300.968 -130.942 8.6692 -139.46 99.4529 PRESSAVG: 1002800 -43.8066 -37.4331 36.5012 -37.4332 -2.05303 52.2329 36.5013 52.233 13.2387 GPRESSAVG: 1002800 -44.0426 -37.5574 37.5853 -36.4485 -2.20648 52.5029 38.2935 51.3357 13.5057 TIMING: 1002800 CPU: 3127.37, 0.00313007/step Wall: 3127.37, 0.00313007/step, 3.47542 hours remaining, 233.539062 MB of memory in use. ENERGY: 1002800 4036.0191 20604.9346 14461.6233 250.1152 -203328.0060 2823.5178 0.0000 0.0000 52089.1949 -109062.6010 299.3573 -161151.7960 -108699.1476 299.8582 -173.9565 -142.0831 762772.7639 -10.8736 -10.9145 PRESSURE: 1003000 111.134 -123.955 77.8293 -123.956 66.4514 59.688 77.8298 59.6886 5.97775 GPRESSURE: 1003000 114.091 -283.722 27.4603 -93.9862 152.12 87.6025 -55.3446 -57.2333 -14.4897 PRESSAVG: 1003000 41.2504 10.182 -5.65959 10.1821 -15.9639 -35.1907 -5.65961 -35.1907 -10.8026 GPRESSAVG: 1003000 42.1078 10.2275 -5.88075 10.6983 -16.269 -36.3273 -7.97225 -34.4707 -11.321 TIMING: 1003000 CPU: 3127.99, 0.00312109/step Wall: 3127.99, 0.00312109/step, 3.46528 hours remaining, 233.539062 MB of memory in use. ENERGY: 1003000 4073.0157 20681.2835 14333.9009 232.8474 -203497.5792 3246.7081 0.0000 0.0000 51989.8333 -108939.9902 298.7863 -160929.8235 -108575.9398 299.9326 61.1878 83.9071 764413.9413 4.8279 4.8392 PRESSURE: 1003200 109.873 195.922 -251.826 195.922 -392.418 -74.9834 -251.826 -74.983 -199.461 GPRESSURE: 1003200 146.939 196.362 -187.937 197.805 -359.769 -138.789 -212.061 -191.281 -178.246 PRESSAVG: 1003200 14.8192 -13.965 -39.941 -13.965 -20.9882 -17.1059 -39.941 -17.1059 -1.11658 GPRESSAVG: 1003200 14.4083 -12.8987 -39.9967 -13.4933 -21.2104 -17.5277 -40.0125 -18.4424 -0.705123 TIMING: 1003200 CPU: 3128.62, 0.0031246/step Wall: 3128.62, 0.0031246/step, 3.469 hours remaining, 233.539062 MB of memory in use. ENERGY: 1003200 4061.5066 20597.7248 14442.3356 244.7770 -202914.6795 2672.0418 0.0000 0.0000 52101.9216 -108794.3721 299.4305 -160896.2937 -108434.7275 299.8448 -160.6689 -130.3588 764621.6571 -2.4285 -2.5024 PRESSURE: 1003400 2.03829 16.4014 189.332 16.4014 -60.753 -317.666 189.332 -317.665 -255.809 GPRESSURE: 1003400 52.9943 -43.5602 218.736 -11.6189 54.7986 -243.051 187.805 -176.957 -329.641 PRESSAVG: 1003400 8.99857 6.12367 2.6469 6.12361 -29.5926 -34.2805 2.6469 -34.2806 28.404 GPRESSAVG: 1003400 8.47948 3.40391 3.45595 4.75453 -30.2424 -35.1474 2.1014 -32.3166 29.2655 TIMING: 1003400 CPU: 3129.25, 0.00315417/step Wall: 3129.25, 0.00315417/step, 3.50166 hours remaining, 233.539062 MB of memory in use. ENERGY: 1003400 4012.7522 20468.1205 14516.9513 239.1322 -203030.4006 2708.0991 0.0000 0.0000 52299.4583 -108785.8870 300.5657 -161085.3453 -108425.1296 299.7892 -104.8413 -73.9493 762033.8708 2.6033 2.5009 PRESSURE: 1003600 95.7977 -95.1924 -32.6594 -95.1923 261.214 -162.64 -32.6585 -162.64 70.7744 GPRESSURE: 1003600 131.628 -63.1308 -118.098 -135.677 346.424 -87.2881 40.148 -135.434 29.8082 PRESSAVG: 1003600 26.257 8.12828 26.7095 8.12823 9.40613 -71.0776 26.7095 -71.0775 39.7043 GPRESSAVG: 1003600 25.3976 13.1466 24.929 4.9554 10.5899 -68.8665 28.6998 -71.0814 39.6579 TIMING: 1003600 CPU: 3129.87, 0.00311697/step Wall: 3129.87, 0.00311697/step, 3.46018 hours remaining, 233.539062 MB of memory in use. ENERGY: 1003600 3957.0879 20619.1564 14487.5131 243.1002 -203275.8505 2779.6792 0.0000 0.0000 52228.0835 -108961.2302 300.1555 -161189.3137 -108601.5581 299.9715 142.5953 169.2866 761817.2044 25.1225 25.2151 PRESSURE: 1003800 -6.19202 93.0586 -91.6601 93.0581 127.638 289.45 -91.6603 289.451 -114.56 GPRESSURE: 1003800 93.6028 142.101 -162.521 78.7799 72.4624 295.154 -63.2593 242.251 -62.3715 PRESSAVG: 1003800 -7.52565 -15.2594 58.0007 -15.2595 34.7334 -2.1574 58.0007 -2.15733 18.809 GPRESSAVG: 1003800 -5.6574 -20.0406 58.6299 -11.7135 34.1497 -2.54728 55.2651 -3.19983 17.5536 TIMING: 1003800 CPU: 3130.49, 0.00311555/step Wall: 3130.49, 0.00311555/step, 3.45844 hours remaining, 233.539062 MB of memory in use. ENERGY: 1003800 4060.0949 20437.3289 14444.6647 243.0953 -203274.9538 2895.6442 0.0000 0.0000 52224.3015 -108969.8243 300.1338 -161194.1258 -108600.1808 299.8765 2.2954 34.5646 763170.5600 15.3389 15.3486 PRESSURE: 1004000 302.81 122.574 -4.37549 122.575 -122.438 -10.5914 -4.37558 -10.5918 -263.938 GPRESSURE: 1004000 183.23 -31.7342 34.9703 48.7111 -40.9943 -40.2159 106.573 27.5138 -118.78 PRESSAVG: 1004000 14.5593 34.3693 7.24457 34.3693 -78.4365 -10.5444 7.24453 -10.5445 0.0804464 GPRESSAVG: 1004000 13.2618 34.9058 7.82013 32.4362 -77.8088 -10.7513 9.48208 -10.7733 0.540022 TIMING: 1004000 CPU: 3131.12, 0.00314388/step Wall: 3131.12, 0.00314388/step, 3.48971 hours remaining, 233.539062 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: 1004000 4012.0884 20569.3069 14498.7194 221.7112 -203122.9728 2746.8960 0.0000 0.0000 52217.2110 -108857.0400 300.0930 -161074.2510 -108504.7518 299.2731 -27.8553 7.8182 762986.3115 -21.2656 -21.3357 PRESSURE: 1004200 8.25955 -207.495 249.06 -207.495 -16.7128 -285.274 249.06 -285.274 -52.2279 GPRESSURE: 1004200 45.8651 -165.412 312.132 -132.039 60.5705 -293.593 127.499 -197.337 -69.5959 PRESSAVG: 1004200 41.0039 -28.8571 5.46697 -28.8571 17.7686 -7.64969 5.46697 -7.64964 -11.1446 GPRESSAVG: 1004200 42.6543 -28.3392 4.3114 -24.2871 16.5577 -6.60836 6.04848 -6.84107 -11.4807 TIMING: 1004200 CPU: 3131.75, 0.00314576/step Wall: 3131.75, 0.00314576/step, 3.49162 hours remaining, 233.539062 MB of memory in use. ENERGY: 1004200 3977.9541 20625.5072 14409.4697 271.6618 -202819.9113 2567.8759 0.0000 0.0000 52022.4585 -108944.9841 298.9738 -160967.4426 -108580.3115 299.9105 -20.2270 12.2799 762809.2895 15.8760 15.9105 LDB: ============= START OF LOAD BALANCING ============== 3144.23 LDB: ============== END OF LOAD BALANCING =============== 3144.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3144.23 LDB: ============= START OF LOAD BALANCING ============== 3144.55 LDB: Largest compute 7059 load 0.032088 is 16.5% of average load 0.195014 LDB: Average compute 0.004424 is 2.3% of average load 0.195014 LDB: TIME 3144.55 LOAD: AVG 0.195014 MAX 0.218465 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.082 MB LDB: TIME 3144.55 LOAD: AVG 0.195014 MAX 0.218465 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.148 MB LDB: TIME 3144.55 LOAD: AVG 0.195014 MAX 0.215724 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.148 MB LDB: ============== END OF LOAD BALANCING =============== 3144.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3144.56 PRESSURE: 1004400 120.876 -213.222 -45.1901 -213.221 -23.8161 123.792 -45.1909 123.792 537.13 GPRESSURE: 1004400 190.104 -149.322 -41.4747 -145.213 -2.60154 105.132 61.111 36.8721 508.528 PRESSAVG: 1004400 27.5709 -20.5403 36.4033 -20.5402 -29.5469 -9.11258 36.4033 -9.11258 -25.3146 GPRESSAVG: 1004400 26.8472 -19.73 35.8622 -24.7022 -29.2335 -10.2017 36.0453 -10.9836 -25.3324 TIMING: 1004400 CPU: 3132.39, 0.00320632/step Wall: 3132.39, 0.00320632/step, 3.55866 hours remaining, 234.511719 MB of memory in use. ENERGY: 1004400 3936.2817 20513.3040 14499.5037 242.1565 -203308.8937 3058.1875 0.0000 0.0000 52165.9267 -108893.5336 299.7983 -161059.4603 -108534.4827 299.7661 211.3964 232.0103 761860.2647 -9.0969 -9.2396 PRESSURE: 1004600 21.0047 40.0437 -203.078 40.0434 52.6585 118.909 -203.078 118.909 -71.3267 GPRESSURE: 1004600 92.0243 91.4922 -250.114 135.613 -6.82168 201.858 -91.2835 12.8424 -8.33455 PRESSAVG: 1004600 67.1172 3.6034 33.888 3.60351 -82.7369 -13.2168 33.8879 -13.2168 -14.1759 GPRESSAVG: 1004600 67.3617 4.15327 34.7923 4.17663 -83.0086 -12.7479 33.1443 -11.6792 -14.5132 TIMING: 1004600 CPU: 3133.02, 0.00314045/step Wall: 3133.02, 0.00314045/step, 3.48538 hours remaining, 234.582031 MB of memory in use. ENERGY: 1004600 3987.4480 20772.4302 14466.6369 250.4559 -203223.8098 2737.6419 0.0000 0.0000 52140.0661 -108869.1309 299.6497 -161009.1970 -108505.7799 300.0510 0.7788 25.6227 760020.0241 -9.9319 -10.0533 PRESSURE: 1004800 -303.303 4.81523 10.4882 4.81479 -268.929 205.129 10.4875 205.129 -157.373 GPRESSURE: 1004800 -296.039 -46.9915 -41.4396 -83.2498 -188.908 243.179 85.9448 124.171 -165.474 PRESSAVG: 1004800 39.942 -10.3727 -17.3519 -10.3727 -47.615 -18.8119 -17.3519 -18.8119 8.41674 GPRESSAVG: 1004800 40.4103 -9.49076 -16.484 -10.0442 -47.446 -18.9294 -18.3987 -20.4564 8.04514 TIMING: 1004800 CPU: 3133.65, 0.00314367/step Wall: 3133.65, 0.00314367/step, 3.48878 hours remaining, 234.582031 MB of memory in use. ENERGY: 1004800 4101.2584 20628.6751 14425.3220 232.4061 -203159.2968 2787.3842 0.0000 0.0000 52163.8941 -108820.3570 299.7866 -160984.2511 -108461.5577 300.5628 -243.2016 -216.8070 762580.6298 0.2479 0.3365 PRESSURE: 1005000 -292.189 -184.692 -64.784 -184.691 -422.955 -60.0788 -64.7847 -60.0786 -334.729 GPRESSURE: 1005000 -268.278 -265.198 -74.4348 -290.267 -458.216 -36.617 19.9192 -33.7931 -235.314 PRESSAVG: 1005000 53.3973 20.7779 34.2519 20.7779 -37.6444 -6.74187 34.2518 -6.74181 1.62279 GPRESSAVG: 1005000 51.5269 19.1814 33.5611 22.1482 -37.2656 -9.27087 35.3193 -5.08576 3.17975 TIMING: 1005000 CPU: 3134.28, 0.00314315/step Wall: 3134.28, 0.00314315/step, 3.48802 hours remaining, 234.582031 MB of memory in use. ENERGY: 1005000 4065.2316 20525.8499 14471.1319 248.5500 -202940.9642 2688.2696 0.0000 0.0000 52072.2577 -108869.6735 299.2600 -160941.9311 -108502.0352 300.2129 -349.9577 -320.6027 763907.7729 5.7919 5.8137 PRESSURE: 1005200 260.053 -87.4427 -1.9144 -87.443 -198.177 44.8734 -1.91479 44.8733 113.369 GPRESSURE: 1005200 318.137 -135.576 -85.496 -79.2723 -152.667 3.52047 72.0379 79.6947 82.0892 PRESSAVG: 1005200 7.11089 19.2103 39.3304 19.2103 -39.2679 1.55875 39.3304 1.55875 2.33506 GPRESSAVG: 1005200 7.86125 20.5092 39.9399 16.7025 -39.0563 4.33143 40.1864 2.13426 1.73689 TIMING: 1005200 CPU: 3134.9, 0.00312029/step Wall: 3134.9, 0.00312029/step, 3.46249 hours remaining, 234.582031 MB of memory in use. ENERGY: 1005200 4034.3165 20614.3317 14494.3810 238.3150 -203215.4965 2900.4166 0.0000 0.0000 52341.6444 -108592.0915 300.8081 -160933.7359 -108223.3776 300.2671 58.4149 82.5195 762986.2579 -9.9407 -9.8194 PRESSURE: 1005400 -138.544 100.503 -83.1545 100.502 -114.426 -30.3679 -83.1537 -30.3677 41.1815 GPRESSURE: 1005400 -131.233 3.65959 -107.868 154.181 -31.7666 -126.535 75.5793 93.0412 38.4012 PRESSAVG: 1005400 19.1376 12.3157 -2.62812 12.3158 -45.2658 31.4137 -2.62808 31.4136 -17.9897 GPRESSAVG: 1005400 18.0273 14.7191 -3.25466 13.0145 -44.6121 29.8919 -2.33517 31.838 -18.3427 TIMING: 1005400 CPU: 3135.53, 0.00311874/step Wall: 3135.53, 0.00311874/step, 3.46059 hours remaining, 234.582031 MB of memory in use. ENERGY: 1005400 4026.9748 20758.9572 14526.4014 241.3651 -203232.7096 2793.8803 0.0000 0.0000 52208.3180 -108676.8128 300.0419 -160885.1307 -108313.5642 300.4667 -70.5962 -41.5328 762007.1973 -14.7060 -14.9759 PRESSURE: 1005600 -156.711 37.2337 22.7584 37.2327 76.832 -271.804 22.758 -271.803 -119.993 GPRESSURE: 1005600 -111.412 89.78 61.1372 6.97751 71.9682 -191.978 53.422 -74.721 -91.3226 PRESSAVG: 1005600 30.8016 12.0313 9.31866 12.0313 5.44321 -32.5588 9.31859 -32.5588 -1.89081 GPRESSAVG: 1005600 31.1627 8.7353 7.86895 12.3721 4.17472 -33.3181 11.7449 -32.1566 -1.60807 TIMING: 1005600 CPU: 3136.15, 0.00312238/step Wall: 3136.15, 0.00312238/step, 3.46446 hours remaining, 234.582031 MB of memory in use. ENERGY: 1005600 4003.0697 20586.9519 14488.2640 272.1445 -202926.7342 2708.2168 0.0000 0.0000 52070.9477 -108797.1394 299.2525 -160868.0872 -108443.6697 300.1043 -66.6239 -43.5887 761504.4638 11.4513 11.2431 PRESSURE: 1005800 -263.143 -69.6358 -55.1205 -69.6368 110.972 -321.062 -55.1211 -321.062 292.33 GPRESSURE: 1005800 -128.732 3.44576 -73.6405 -29.9294 79.2874 -287.959 62.6215 -256.963 246.358 PRESSAVG: 1005800 33.8774 18.6593 23.5243 18.6593 -5.92875 -8.57011 23.5243 -8.57013 -14.2123 GPRESSAVG: 1005800 34.6751 18.6264 26.6001 21.8144 -6.45669 -6.38691 21.9075 -9.69918 -14.4129 TIMING: 1005800 CPU: 3136.77, 0.00311718/step Wall: 3136.77, 0.00311718/step, 3.45851 hours remaining, 234.582031 MB of memory in use. ENERGY: 1005800 4004.4587 20691.4670 14413.1043 245.9759 -203265.5086 2818.4703 0.0000 0.0000 52273.7801 -108818.2523 300.4181 -161092.0324 -108473.4674 299.6818 46.7197 65.6379 762166.5074 4.5788 4.6018 PRESSURE: 1006000 -219.926 97.2416 65.8987 97.241 -190.048 -148.21 65.8983 -148.21 -6.46785 GPRESSURE: 1006000 -189.589 111.411 -60.0791 153.624 -217.713 -100.563 74.4809 -277.684 59.4228 PRESSAVG: 1006000 6.6961 57.4934 7.6553 57.4934 34.1178 13.0745 7.65533 13.0745 21.0183 GPRESSAVG: 1006000 7.32831 59.5745 6.85167 54.7788 33.3044 12.2381 6.25693 12.2207 21.3666 TIMING: 1006000 CPU: 3137.4, 0.00312321/step Wall: 3137.4, 0.0031232/step, 3.46502 hours remaining, 234.582031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1006000 4096.6018 20634.6859 14440.8317 240.3469 -202799.1617 2497.6095 0.0000 0.0000 52071.3834 -108817.7024 299.2550 -160889.0858 -108446.9680 300.1566 -138.8140 -115.9598 762840.1718 20.6107 20.6664 PRESSURE: 1006200 207.538 -16.306 -64.1915 -16.306 120.837 -90.565 -64.1916 -90.5652 56.3556 GPRESSURE: 1006200 269.11 13.9017 53.385 -88.3242 62.8492 11.2846 -190.385 -5.06638 126.477 PRESSAVG: 1006200 -14.9006 -51.6876 52.5327 -51.6877 38.215 39.227 52.5326 39.2269 4.16195 GPRESSAVG: 1006200 -16.0537 -54.1277 50.7401 -51.4826 38.9015 40.3209 51.0488 40.1073 4.60137 TIMING: 1006200 CPU: 3138.02, 0.0031255/step Wall: 3138.02, 0.0031255/step, 3.4674 hours remaining, 234.582031 MB of memory in use. ENERGY: 1006200 3913.5129 20684.9025 14372.9900 239.1837 -202834.2183 2613.4059 0.0000 0.0000 52012.6839 -108997.5395 298.9176 -161010.2234 -108626.2114 299.5903 128.2437 152.8120 763397.8681 9.1588 9.1497 PRESSURE: 1006400 -86.4165 -116.07 200.899 -116.07 323.23 44.098 200.899 44.0978 -31.6053 GPRESSURE: 1006400 27.3213 -102.614 181.342 -247.861 295.822 -53.1832 166.137 -85.9092 -29.8602 PRESSAVG: 1006400 7.69707 -10.3316 32.0513 -10.3316 2.98384 18.1726 32.0515 18.1726 -10.5515 GPRESSAVG: 1006400 8.4792 -8.44753 32.8 -11.0209 2.21856 18.363 33.5109 17.3762 -11 TIMING: 1006400 CPU: 3138.65, 0.00312925/step Wall: 3138.65, 0.00312925/step, 3.47138 hours remaining, 234.582031 MB of memory in use. ENERGY: 1006400 4026.4473 20581.7719 14488.7146 245.3195 -203041.9957 2776.9251 0.0000 0.0000 51905.8857 -109016.9315 298.3038 -160922.8172 -108663.2160 299.1584 68.4028 97.7612 762432.7691 0.0431 -0.1007 PRESSURE: 1006600 351.22 100.213 99.0463 100.212 -153.345 -0.443899 99.0469 -0.444784 -380.819 GPRESSURE: 1006600 317.694 113.558 168.177 48.1407 -124.458 -36.7887 128.418 28.43 -296.579 PRESSAVG: 1006600 17.9984 -43.7612 25.899 -43.7612 -15.6909 16.757 25.8991 16.757 16.4048 GPRESSAVG: 1006600 17.3847 -44.0658 24.514 -42.7677 -15.0919 15.837 25.8658 17.0028 16.3603 TIMING: 1006600 CPU: 3139.28, 0.0031415/step Wall: 3139.28, 0.0031415/step, 3.4848 hours remaining, 234.582031 MB of memory in use. ENERGY: 1006600 4050.0212 20520.9394 14449.3750 261.7621 -203359.5713 2939.5380 0.0000 0.0000 52093.1316 -109044.8040 299.3799 -161137.9356 -108674.6613 299.5570 -60.9814 -34.4473 762351.9171 6.2374 6.2177 PRESSURE: 1006800 -8.95048 -32.1985 97.6402 -32.1979 25.7842 -32.4334 97.6409 -32.4329 213.034 GPRESSURE: 1006800 82.8413 29.519 162.86 -95.102 -29.4361 0.521466 20.2453 -27.6402 262.828 PRESSAVG: 1006800 53.6047 -2.11315 23.7803 -2.11313 -15.7711 51.4769 23.7804 51.4769 14.5863 GPRESSAVG: 1006800 53.3129 -2.94434 26.2462 -1.32047 -15.3166 48.8566 21.9828 52.7508 15.2659 TIMING: 1006800 CPU: 3139.91, 0.00313874/step Wall: 3139.91, 0.00313874/step, 3.48156 hours remaining, 234.582031 MB of memory in use. ENERGY: 1006800 4016.6488 20590.4535 14466.3004 245.2752 -203287.1877 3042.4931 0.0000 0.0000 51857.2214 -109068.7954 298.0242 -160926.0167 -108706.7926 299.4367 76.6227 105.4109 763700.0261 17.4733 17.7541 PRESSURE: 1007000 -88.8518 162.376 -43.1987 162.376 -294.684 -5.44831 -43.1988 -5.44826 -73.8614 GPRESSURE: 1007000 0.473496 102.255 -35.4021 129.913 -224.904 14.715 -54.7496 -6.717 -142.067 PRESSAVG: 1007000 24.0066 -0.484333 9.51039 -0.484315 -0.117473 49.0498 9.51047 49.0499 -13.0751 GPRESSAVG: 1007000 23.7104 -0.663825 8.41292 -3.19613 1.63969 51.1844 10.5798 47.3972 -14.1033 TIMING: 1007000 CPU: 3140.53, 0.00312415/step Wall: 3140.53, 0.00312415/step, 3.4652 hours remaining, 234.582031 MB of memory in use. ENERGY: 1007000 4037.8922 20427.9935 14438.4241 247.2110 -202836.8810 2610.9717 0.0000 0.0000 52064.7207 -109009.6679 299.2167 -161074.3886 -108649.0082 299.1047 -152.4656 -122.1658 764155.7821 3.6047 3.7489 PRESSURE: 1007200 73.1601 -92.6228 -154.842 -92.6228 -211.222 123.125 -154.841 123.125 -342.385 GPRESSURE: 1007200 66.706 -180.178 -71.775 -142.821 -160.045 -12.0636 -255.497 171.276 -325.723 PRESSAVG: 1007200 23.1086 -5.22187 30.8823 -5.2219 2.77127 -13.5719 30.8823 -13.5719 -16.9131 GPRESSAVG: 1007200 23.2983 -4.34233 32.2543 -2.61126 -0.0108932 -12.5536 30.1588 -13.8825 -15.2725 TIMING: 1007200 CPU: 3141.15, 0.00311895/step Wall: 3141.15, 0.00311895/step, 3.45926 hours remaining, 234.582031 MB of memory in use. ENERGY: 1007200 4024.4763 20732.1636 14483.3338 252.1004 -203516.0823 2829.6361 0.0000 0.0000 52000.2583 -109194.1139 298.8462 -161194.3721 -108832.3084 299.1596 -160.1490 -139.6876 765090.9031 2.9889 2.6716 PRESSURE: 1007400 83.9536 199.865 134.307 199.865 61.768 178.912 134.306 178.912 306.617 GPRESSURE: 1007400 66.3379 75.8816 145.668 196.366 128.555 202.793 188.189 285.606 339.331 PRESSAVG: 1007400 -43.5454 67.6413 -26.3364 67.6413 25.9211 10.7179 -26.3363 10.7178 -0.700086 GPRESSAVG: 1007400 -43.4333 66.2148 -28.1009 68.4755 26.3523 10.3716 -25.6763 13.6438 -1.50267 TIMING: 1007400 CPU: 3141.78, 0.00312339/step Wall: 3141.78, 0.00312339/step, 3.46401 hours remaining, 234.582031 MB of memory in use. ENERGY: 1007400 4001.8490 20401.3396 14475.7902 248.1838 -203257.7459 2809.9750 0.0000 0.0000 52142.6107 -109177.9976 299.6643 -161320.6083 -108814.2270 298.9722 150.7797 178.0744 763499.6878 -6.1081 -6.1945 PRESSURE: 1007600 -41.1279 58.3918 -65.163 58.3906 228.743 331.433 -65.1633 331.434 36.4493 GPRESSURE: 1007600 47.6232 -1.2715 -59.9201 40.164 221.459 288.121 21.1381 154.826 50.7212 PRESSAVG: 1007600 -13.6048 -39.3175 17.7963 -39.3175 -30.3153 52.2905 17.7963 52.2905 12.4689 GPRESSAVG: 1007600 -14.8275 -39.2346 19.0659 -40.8156 -29.0216 52.3593 19.7868 49.4797 12.6145 TIMING: 1007600 CPU: 3142.4, 0.00311769/step Wall: 3142.4, 0.00311769/step, 3.45752 hours remaining, 234.582031 MB of memory in use. ENERGY: 1007600 3987.1955 20483.6654 14518.0636 247.2738 -203547.6236 3064.8335 0.0000 0.0000 52102.7648 -109143.8270 299.4353 -161246.5918 -108785.7448 299.3714 74.6881 106.6010 764067.0500 -10.4837 -10.4115 PRESSURE: 1007800 -93.4404 -131.783 -35.0138 -131.782 108.056 23.6131 -35.0132 23.6118 -461.27 GPRESSURE: 1007800 -51.5226 -195.137 -57.1391 -18.1049 56.6564 -22.9645 11.5027 -34.7337 -360.98 PRESSAVG: 1007800 -18.69 31.0015 16.1346 31.0015 16.8825 0.221691 16.1346 0.221719 -9.57197 GPRESSAVG: 1007800 -17.055 32.3547 16.6147 31.641 15.2742 -1.17957 12.3309 0.622577 -9.28827 TIMING: 1007800 CPU: 3143.03, 0.00312372/step Wall: 3143.03, 0.00312373/step, 3.46404 hours remaining, 234.582031 MB of memory in use. ENERGY: 1007800 3974.0981 20506.3224 14557.1075 234.9287 -202960.6372 2614.5573 0.0000 0.0000 51761.4283 -109312.1951 297.4736 -161073.6234 -108969.9400 298.9751 -148.8849 -118.6153 764469.6272 -3.7932 -3.6897 PRESSURE: 1008000 150.931 -46.6594 -46.0818 -46.6598 -87.6031 -7.72573 -46.0819 -7.72649 -275.33 GPRESSURE: 1008000 178.349 22.9991 -88.0922 -131.552 -83.0252 83.5669 20.2966 -36.0909 -219.021 PRESSAVG: 1008000 52.0901 34.223 11.8471 34.223 -58.1882 -16.1709 11.8471 -16.1709 -5.39532 GPRESSAVG: 1008000 52.1776 33.0641 11.0792 33.2827 -56.9532 -13.771 13.9321 -16.5524 -6.5514 TIMING: 1008000 CPU: 3143.65, 0.00310648/step Wall: 3143.65, 0.00310648/step, 3.44474 hours remaining, 234.582031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1008000 3962.2019 20505.5444 14375.1202 265.9855 -203426.1016 2963.3696 0.0000 0.0000 52107.4051 -109246.4749 299.4620 -161353.8800 -108889.0656 299.1028 -70.6676 -41.2325 762983.1776 -3.8311 -3.7757 PRESSURE: 1008200 -123.666 7.32289 -36.6073 7.3227 179.033 -11.749 -36.6075 -11.7486 343.476 GPRESSURE: 1008200 16.3318 35.2678 -27.7268 -10.2991 173.779 -99.4449 2.65075 -27.8901 276.279 PRESSAVG: 1008200 -5.68783 14.518 18.9249 14.518 29.7145 -32.4386 18.9249 -32.4386 10.2349 GPRESSAVG: 1008200 -5.68689 15.4855 18.9813 13.8711 28.943 -32.114 18.7196 -31.5211 10.9307 TIMING: 1008200 CPU: 3144.27, 0.00311829/step Wall: 3144.27, 0.00311829/step, 3.45767 hours remaining, 234.582031 MB of memory in use. ENERGY: 1008200 4061.2542 20623.8277 14495.5933 236.1313 -203779.2790 3078.5298 0.0000 0.0000 52109.3975 -109174.5453 299.4734 -161283.9428 -108816.6869 299.3433 132.9479 155.4632 762422.1688 11.4205 11.3956 LDB: ============= START OF LOAD BALANCING ============== 3156.75 LDB: ============== END OF LOAD BALANCING =============== 3156.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3156.75 LDB: ============= START OF LOAD BALANCING ============== 3157.07 LDB: Largest compute 7059 load 0.031951 is 16.4% of average load 0.194953 LDB: Average compute 0.004433 is 2.3% of average load 0.194953 LDB: TIME 3157.07 LOAD: AVG 0.194953 MAX 0.212642 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 3157.07 LOAD: AVG 0.194953 MAX 0.212642 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: TIME 3157.07 LOAD: AVG 0.194953 MAX 0.212642 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: ============== END OF LOAD BALANCING =============== 3157.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3157.08 PRESSURE: 1008400 97.1187 -41.7226 -59.555 -41.7226 -253.723 -232.917 -59.5556 -232.917 -115.719 GPRESSURE: 1008400 153.154 -81.9702 -110.188 12.6097 -185.707 -163.687 -234.772 -131.599 -151.152 PRESSAVG: 1008400 7.77606 26.5542 -3.98562 26.5541 -31.2725 -0.73115 -3.98562 -0.731217 -2.98826 GPRESSAVG: 1008400 7.52597 28.2439 -4.00543 25.3807 -30.8671 -2.46771 -3.7258 -1.78168 -3.17376 TIMING: 1008400 CPU: 3144.91, 0.00319538/step Wall: 3144.91, 0.00319538/step, 3.54297 hours remaining, 235.593750 MB of memory in use. ENERGY: 1008400 3956.1015 20487.5791 14517.2946 264.8850 -203054.8250 2741.3698 0.0000 0.0000 51861.1883 -109226.4067 298.0470 -161087.5950 -108864.7990 299.1595 -90.7744 -61.2349 762491.3230 -8.8282 -8.8383 PRESSURE: 1008600 15.2941 107.256 -62.3792 107.256 -64.5433 -8.88994 -62.3794 -8.88874 -148.623 GPRESSURE: 1008600 96.9833 53.6469 0.317034 132.8 32.5572 -47.6499 46.9827 -20.6699 -227.533 PRESSAVG: 1008600 11.235 14.1422 -8.83174 14.1423 -15.1125 -4.14973 -8.83173 -4.14974 16.4048 GPRESSAVG: 1008600 10.4834 14.1137 -8.01832 15.9478 -15.0591 -3.1667 -10.2646 -4.86472 16.4235 TIMING: 1008600 CPU: 3145.54, 0.00312043/step Wall: 3145.54, 0.00312043/step, 3.45968 hours remaining, 235.593750 MB of memory in use. ENERGY: 1008600 4015.7672 20569.2538 14438.6065 246.1570 -203528.0249 2858.7964 0.0000 0.0000 52335.1314 -109064.3127 300.7707 -161399.4441 -108709.5599 299.4287 -65.9576 -32.6641 762848.8888 4.1758 3.9493 PRESSURE: 1008800 261.459 -8.78568 64.2624 -8.78622 204.609 -131.357 64.2618 -131.357 -159.33 GPRESSURE: 1008800 291.981 89.2773 42.9654 -129.708 218.935 -141.633 130.176 -122.375 -144.736 PRESSAVG: 1008800 46.6652 35.5658 -22.6679 35.5659 -1.44281 70.4068 -22.6679 70.4067 -11.6507 GPRESSAVG: 1008800 47.1423 34.2608 -23.3935 35.9741 -2.32267 68.2873 -21.6615 71.216 -11.3004 TIMING: 1008800 CPU: 3146.16, 0.00310949/step Wall: 3146.16, 0.00310949/step, 3.44739 hours remaining, 235.593750 MB of memory in use. ENERGY: 1008800 3961.5196 20610.0039 14459.5517 229.1617 -203032.9969 2727.7178 0.0000 0.0000 51927.7831 -109117.2590 298.4297 -161045.0421 -108761.6057 300.0507 102.2462 122.0600 763669.6377 11.1906 11.1731 PRESSURE: 1009000 -195.717 -53.6283 -79.3518 -53.6289 210.864 148.763 -79.3506 148.763 98.557 GPRESSURE: 1009000 -100.34 -8.34497 -130.543 -126.518 204.058 125.332 -90.2399 86.9654 44.4029 PRESSAVG: 1009000 -7.33568 54.5305 -1.94064 54.5305 -4.60316 8.87263 -1.94057 8.87269 12.9124 GPRESSAVG: 1009000 -7.61069 56.1384 -2.00843 54.4471 -4.09864 11.2589 -0.343214 8.68409 12.6125 TIMING: 1009000 CPU: 3146.78, 0.00311096/step Wall: 3146.78, 0.00311096/step, 3.44884 hours remaining, 235.593750 MB of memory in use. ENERGY: 1009000 4015.3209 20408.5226 14475.9355 247.0353 -203043.4381 2900.8748 0.0000 0.0000 51877.7908 -109117.9583 298.1424 -160995.7491 -108755.0229 299.4339 37.9010 49.3739 762626.1210 0.3245 0.3011 PRESSURE: 1009200 -166.096 75.0565 3.1328 75.0574 -196.02 -193.849 3.13183 -193.848 -327.809 GPRESSURE: 1009200 -137.241 77.0844 20.4851 -69.9353 -196.448 -128.534 -20.3864 -129.315 -257.232 PRESSAVG: 1009200 43.6666 13.0848 27.5077 13.0848 15.5319 61.3167 27.5077 61.3167 1.90844 GPRESSAVG: 1009200 43.0559 12.4173 28.1588 12.7875 16.1524 61.3719 25.0652 61.3252 2.17949 TIMING: 1009200 CPU: 3147.4, 0.00312111/step Wall: 3147.4, 0.00312111/step, 3.45993 hours remaining, 235.593750 MB of memory in use. ENERGY: 1009200 3999.4313 20544.9497 14432.0281 256.1756 -203027.9973 2635.3486 0.0000 0.0000 51976.0544 -109184.0095 298.7071 -161160.0639 -108830.2944 299.3628 -229.9753 -196.9735 763719.8671 20.3690 20.4626 PRESSURE: 1009400 133.786 93.5079 -182.812 93.5082 345.25 -89.2252 -182.812 -89.2252 -330.65 GPRESSURE: 1009400 205.725 6.29928 -125.593 93.7231 336.601 -55.8067 -155.927 -76.0383 -295.358 PRESSAVG: 1009400 -0.783035 15.8854 -44.0626 15.8854 -25.9217 8.54252 -44.0626 8.54245 -17.8703 GPRESSAVG: 1009400 -0.960367 15.0099 -43.0214 17.1276 -26.0727 6.94325 -44.3322 9.87716 -17.177 TIMING: 1009400 CPU: 3148.03, 0.00310932/step Wall: 3148.03, 0.00310932/step, 3.44668 hours remaining, 235.593750 MB of memory in use. ENERGY: 1009400 3999.3058 20507.2379 14288.5598 212.7970 -203108.4698 3005.7390 0.0000 0.0000 52109.9516 -108984.8787 299.4766 -161094.8303 -108623.1891 299.3446 49.4618 82.3226 764047.5957 -14.8584 -14.7367 PRESSURE: 1009600 -265.527 -156.165 -19.2524 -156.165 -248.905 -36.1243 -19.2525 -36.1243 39.2724 GPRESSURE: 1009600 -180.561 -117.703 -25.5139 -163.873 -261.369 -95.4047 -8.47653 -60.4346 33.4829 PRESSAVG: 1009600 71.9705 -0.872387 -23.9766 -0.872364 -64.2226 16.91 -23.9766 16.91 -5.90432 GPRESSAVG: 1009600 72.2789 -1.33202 -25.4448 -2.22431 -64.6509 16.8589 -22.5804 16.7624 -6.13181 TIMING: 1009600 CPU: 3148.65, 0.00311695/step Wall: 3148.65, 0.00311695/step, 3.45496 hours remaining, 235.593750 MB of memory in use. ENERGY: 1009600 4037.3365 20459.6876 14367.7415 269.9004 -203151.7777 2908.7923 0.0000 0.0000 52016.7725 -109091.5469 298.9411 -161108.3194 -108732.0054 299.8763 -158.3868 -136.1490 764973.5366 0.6145 0.4987 PRESSURE: 1009800 64.0487 56.898 -53.5304 56.8979 -357.447 -9.88888 -53.5303 -9.88903 10.9383 GPRESSURE: 1009800 83.2378 22.3203 -85.7503 33.1082 -284.279 3.59648 35.296 26.4995 -10.1021 PRESSAVG: 1009800 13.0656 -54.7259 -29.3658 -54.7259 34.9287 -2.28788 -29.3659 -2.28793 6.67561 GPRESSAVG: 1009800 12.9399 -53.2475 -26.7468 -55.8722 36.0958 -2.3014 -28.356 -1.92072 5.81314 TIMING: 1009800 CPU: 3149.27, 0.00310736/step Wall: 3149.27, 0.00310736/step, 3.44416 hours remaining, 235.593750 MB of memory in use. ENERGY: 1009800 3946.4153 20523.2280 14443.1488 251.9247 -203347.9606 2824.7601 0.0000 0.0000 52335.5377 -109022.9459 300.7731 -161358.4836 -108663.7778 299.6562 -94.1532 -70.3810 764190.3759 18.2233 18.2830 PRESSURE: 1010000 -169.115 13.9178 175.91 13.9185 39.7255 -45.8253 175.911 -45.8259 -225.629 GPRESSURE: 1010000 -177.98 -62.7386 257.311 -42.8574 122.285 17.7776 173.323 46.1161 -212.353 PRESSAVG: 1010000 44.1957 -19.201 -26.613 -19.2009 -11.9146 -46.534 -26.6129 -46.534 16.8134 GPRESSAVG: 1010000 44.6457 -18.6711 -29.3133 -18.3288 -12.1254 -45.1124 -27.3346 -48.2234 16.2529 TIMING: 1010000 CPU: 3149.89, 0.00312052/step Wall: 3149.89, 0.00312052/step, 3.45858 hours remaining, 235.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1010000 4044.6290 20434.7343 14542.3455 239.3557 -203500.1117 2925.9065 0.0000 0.0000 52272.5477 -109040.5929 300.4111 -161313.1406 -108667.3362 299.5807 -118.3396 -89.3492 763222.2636 16.3648 16.2577 PRESSURE: 1010200 -64.8889 107.768 -28.7224 107.768 319.518 -41.8602 -28.7225 -41.8616 352.429 GPRESSURE: 1010200 -83.4819 153.807 -16.9643 128.421 348.765 -43.03 31.5488 -18.1288 441.091 PRESSAVG: 1010200 29.5769 17.1701 8.59676 17.1701 -17.4314 -14.1853 8.5967 -14.1853 15.4958 GPRESSAVG: 1010200 29.4459 17.842 9.76312 16.8729 -16.9781 -13.2116 11.6461 -14.2821 15.6367 TIMING: 1010200 CPU: 3150.52, 0.00311911/step Wall: 3150.52, 0.00311911/step, 3.45684 hours remaining, 235.593750 MB of memory in use. ENERGY: 1010200 4066.6728 20663.2446 14438.7990 256.6078 -203073.5953 2834.3216 0.0000 0.0000 52011.7798 -108802.1697 298.9124 -160813.9495 -108440.2417 300.3966 202.3526 235.4579 761919.9720 9.2138 9.3682 PRESSURE: 1010400 -491.97 110.384 -168.479 110.383 -291.283 188.374 -168.478 188.375 -387.933 GPRESSURE: 1010400 -455.75 111.078 -297.6 147.665 -327.924 85.461 -65.4809 152.961 -299.352 PRESSAVG: 1010400 21.3514 35.1598 4.63236 35.1598 17.0932 12.6763 4.63234 12.6763 -4.4225 GPRESSAVG: 1010400 23.2703 33.1627 4.48515 36.985 15.5826 10.6798 -0.262098 13.6257 -5.39872 TIMING: 1010400 CPU: 3151.14, 0.0031278/step Wall: 3151.14, 0.0031278/step, 3.46629 hours remaining, 235.593750 MB of memory in use. ENERGY: 1010400 4057.6702 20512.3318 14382.8088 246.8680 -202867.4518 2512.7521 0.0000 0.0000 52155.6148 -108999.4061 299.7390 -161155.0209 -108624.7143 299.7161 -390.3952 -361.0090 765132.9991 11.3407 11.1514 PRESSURE: 1010600 9.33812 -122.146 219.168 -122.145 8.91426 401.234 219.169 401.234 226.381 GPRESSURE: 1010600 72.3941 -137.554 194.152 -172.336 50.3869 310.109 154.328 281.373 196.452 PRESSAVG: 1010600 -20.9388 -18.8646 -9.83376 -18.8647 31.9071 10.3923 -9.83376 10.3922 -1.54141 GPRESSAVG: 1010600 -21.033 -17.8865 -9.74345 -20.5481 30.8376 10.2967 -6.03182 10.2107 -0.397257 TIMING: 1010600 CPU: 3151.77, 0.00311892/step Wall: 3151.77, 0.00311892/step, 3.45629 hours remaining, 235.593750 MB of memory in use. ENERGY: 1010600 4083.0859 20427.2739 14466.1098 250.9984 -203204.7803 2677.9971 0.0000 0.0000 52427.4477 -108871.8674 301.3013 -161299.3151 -108519.9111 299.2133 81.5445 106.4108 762859.1541 3.1423 3.1358 PRESSURE: 1010800 -394.931 109.848 332.368 109.847 -310.835 -18.3734 332.368 -18.3731 -50.1747 GPRESSURE: 1010800 -412.766 117.314 416.435 269.231 -218.616 -82.3331 329.609 36.8976 -39.2817 PRESSAVG: 1010800 7.05388 32.9478 51.5182 32.9479 13.9905 13.9037 51.5182 13.9037 3.68223 GPRESSAVG: 1010800 6.41233 35.4069 51.0898 33.5132 15.0427 13.8341 50.9877 11.9545 3.26201 TIMING: 1010800 CPU: 3152.39, 0.00311853/step Wall: 3152.39, 0.00311853/step, 3.45567 hours remaining, 235.593750 MB of memory in use. ENERGY: 1010800 3954.7344 20326.2332 14451.6055 254.5528 -202646.4049 2355.9180 0.0000 0.0000 52050.1554 -109253.2056 299.1330 -161303.3610 -108883.4600 299.4106 -251.9800 -223.5547 763943.5877 8.2422 8.2390 PRESSURE: 1011000 -48.3753 -189.905 112.526 -189.905 272.72 -118.32 112.526 -118.32 34.8883 GPRESSURE: 1011000 -32.0336 -231.048 76.3382 -252.475 301.306 -128.118 193.154 -120.135 73.799 PRESSAVG: 1011000 -6.49226 -25.259 40.6594 -25.259 -0.92194 45.56 40.6595 45.56 1.59231 GPRESSAVG: 1011000 -6.57733 -26.3621 38.8136 -25.5491 -0.126751 44.67 40.8961 47.1029 0.84723 TIMING: 1011000 CPU: 3153.01, 0.003109/step Wall: 3153.01, 0.003109/step, 3.44495 hours remaining, 235.593750 MB of memory in use. ENERGY: 1011000 3927.4128 20379.5109 14462.5317 239.9204 -203595.7302 3199.4512 0.0000 0.0000 52081.3201 -109305.5830 299.3121 -161386.9031 -108950.0348 299.1408 86.4111 114.3570 763730.0822 -1.9406 -1.9523 PRESSURE: 1011200 283.135 93.3451 -120.049 93.3446 84.0947 67.1322 -120.049 67.1326 -18.1803 GPRESSURE: 1011200 267.798 226.991 -111.69 163.396 132.535 -16.2939 -117.777 -8.18041 16.4684 PRESSAVG: 1011200 26.7492 58.5271 1.88403 58.5272 -14.7417 12.5501 1.88404 12.5501 -4.80445 GPRESSAVG: 1011200 25.9952 57.5844 4.80935 57.1499 -14.0512 12.9544 0.90774 12.4231 -5.0678 TIMING: 1011200 CPU: 3153.64, 0.00312534/step Wall: 3153.64, 0.00312534/step, 3.46287 hours remaining, 235.593750 MB of memory in use. ENERGY: 1011200 3985.0659 20418.6638 14433.5486 257.8108 -203546.1996 3089.8886 0.0000 0.0000 52087.3002 -109273.9216 299.3464 -161361.2217 -108917.5499 299.2142 116.3498 138.9337 761985.0996 2.4010 2.2921 PRESSURE: 1011400 -3.51542 34.0817 264.04 34.0819 8.20705 80.0954 264.042 80.0944 -294.943 GPRESSURE: 1011400 3.73113 135.912 233.494 97.4361 44.0525 130.811 240.859 134.396 -284.133 PRESSAVG: 1011400 51.9816 63.05 -11.6674 63.0499 -16.3203 0.422382 -11.6674 0.422339 -12.0724 GPRESSAVG: 1011400 52.775 62.2124 -12.2587 64.9863 -17.3049 -0.445424 -10.9472 1.13765 -11.627 TIMING: 1011400 CPU: 3154.26, 0.00312443/step Wall: 3154.26, 0.00312443/step, 3.4617 hours remaining, 235.593750 MB of memory in use. ENERGY: 1011400 3957.3128 20557.2207 14475.0699 233.2377 -203284.9725 2738.7518 0.0000 0.0000 51908.7432 -109414.6364 298.3203 -161323.3797 -109062.3066 299.4754 -96.7506 -78.7830 762821.3280 7.8630 7.9477 PRESSURE: 1011600 -84.9623 57.0108 -232.515 57.0097 -552.177 38.6701 -232.515 38.6698 -26.0918 GPRESSURE: 1011600 -61.9327 -23.6536 -271.652 101.094 -510.705 16.1393 -237.662 50.8584 -32.3768 PRESSAVG: 1011600 7.71467 37.7743 -11.9788 37.7742 4.4032 -16.8081 -11.9789 -16.8081 26.6981 GPRESSAVG: 1011600 6.64159 39.7824 -11.4858 36.5926 5.49312 -18.098 -13.7859 -16.0803 27.1066 TIMING: 1011600 CPU: 3154.89, 0.00313867/step Wall: 3154.89, 0.00313867/step, 3.47729 hours remaining, 235.593750 MB of memory in use. ENERGY: 1011600 3909.6385 20480.7227 14420.9464 250.5473 -203336.4437 2796.7125 0.0000 0.0000 51870.1558 -109607.7204 298.0985 -161477.8763 -109249.1085 299.1074 -221.0772 -201.6714 764286.5967 12.9387 13.0804 PRESSURE: 1011800 -237.898 -57.744 -78.6881 -57.7437 5.7933 -69.0352 -78.6887 -69.0348 -40.4395 GPRESSURE: 1011800 -204.16 -22.7255 -34.9464 90.2093 101.069 -95.4078 -167.394 -25.6093 -89.3338 PRESSAVG: 1011800 -21.0358 15.7176 -37.2521 15.7176 -11.6318 36.5251 -37.2522 36.5252 12.0852 GPRESSAVG: 1011800 -19.8904 15.9564 -38.6896 17.1606 -11.8328 38.7857 -37.1597 34.7388 11.4617 TIMING: 1011800 CPU: 3155.51, 0.00311453/step Wall: 3155.51, 0.00311453/step, 3.45038 hours remaining, 235.593750 MB of memory in use. ENERGY: 1011800 3902.7309 20392.2498 14386.4833 253.4190 -203514.2650 2973.1482 0.0000 0.0000 52204.5616 -109401.6721 300.0203 -161606.2337 -109036.4854 298.3017 -90.8479 -64.1418 763358.0354 -6.8608 -6.7538 PRESSURE: 1012000 -70.7592 135.709 142.404 135.71 -156.214 -32.3629 142.403 -32.3624 -233.54 GPRESSURE: 1012000 17.9867 209.24 32.0856 109.404 -190.873 69.2133 78.8322 -6.86022 -207.131 PRESSAVG: 1012000 18.991 16.0164 -10.2984 16.0164 -31.8865 -2.88852 -10.2985 -2.88857 8.10585 GPRESSAVG: 1012000 19.6649 14.5314 -10.1403 16.511 -32.2862 -1.89427 -9.78717 -3.06213 7.65223 TIMING: 1012000 CPU: 3156.14, 0.00311423/step Wall: 3156.14, 0.00311423/step, 3.44987 hours remaining, 235.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1012000 3981.0946 20508.6126 14411.5399 263.9844 -203009.1523 2585.6588 0.0000 0.0000 51987.2597 -109271.0023 298.7715 -161258.2620 -108901.4505 299.1150 -153.5044 -126.6725 761809.5251 -1.5966 -1.6564 PRESSURE: 1012200 513.118 11.7535 11.6021 11.754 247.357 122.152 11.6012 122.152 -4.17684 GPRESSURE: 1012200 505.938 31.4628 -6.86603 90.0161 262.914 214.197 12.5307 59.2475 63.2308 PRESSAVG: 1012200 9.1818 9.46839 10.1161 9.46828 -15.5406 34.7903 10.1161 34.7903 8.59018 GPRESSAVG: 1012200 9.24447 9.83223 10.0398 8.61184 -15.8487 33.8083 10.9258 36.9549 8.65068 TIMING: 1012200 CPU: 3156.76, 0.00311106/step Wall: 3156.76, 0.00311106/step, 3.44619 hours remaining, 235.593750 MB of memory in use. ENERGY: 1012200 3960.2093 20563.7201 14397.5351 236.6312 -203577.4157 3032.8141 0.0000 0.0000 52034.3309 -109352.1749 299.0420 -161386.5058 -108989.3284 299.4230 252.0993 277.3612 762567.3206 0.7438 0.6821 LDB: ============= START OF LOAD BALANCING ============== 3169.24 LDB: ============== END OF LOAD BALANCING =============== 3169.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3169.24 LDB: ============= START OF LOAD BALANCING ============== 3169.55 LDB: Largest compute 7059 load 0.032888 is 16.9% of average load 0.195106 LDB: Average compute 0.004413 is 2.3% of average load 0.195106 LDB: TIME 3169.56 LOAD: AVG 0.195106 MAX 0.215566 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.055 MB LDB: TIME 3169.56 LOAD: AVG 0.195106 MAX 0.215566 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.055 MB LDB: TIME 3169.56 LOAD: AVG 0.195106 MAX 0.215566 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.055 MB LDB: ============== END OF LOAD BALANCING =============== 3169.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3169.56 PRESSURE: 1012400 195.179 -132.057 116.068 -132.057 -19.4005 14.5307 116.068 14.5313 433.122 GPRESSURE: 1012400 138.254 -164.68 199.371 -105.774 51.4339 65.5576 193.059 -86.4217 502.977 PRESSAVG: 1012400 13.4873 25.0499 -22.0374 25.05 -28.1489 -1.09451 -22.0374 -1.09453 -11.7345 GPRESSAVG: 1012400 11.2942 25.9607 -20.6602 23.986 -26.7164 -2.1198 -21.1364 -1.48925 -10.8194 TIMING: 1012400 CPU: 3157.4, 0.00319704/step Wall: 3157.4, 0.00319704/step, 3.54125 hours remaining, 235.281250 MB of memory in use. ENERGY: 1012400 4023.2938 20512.2205 14419.9538 246.4123 -203218.7951 2715.7160 0.0000 0.0000 51923.0832 -109378.1154 298.4027 -161301.1986 -109024.2073 298.5681 202.9666 230.8885 761680.7103 -8.7987 -8.7472 PRESSURE: 1012600 3.24589 136.848 71.395 136.849 -23.9715 -131.411 71.3944 -131.409 137.123 GPRESSURE: 1012600 -3.32994 124.863 2.43341 255.211 22.7423 -144.116 97.5748 -156.876 181.771 PRESSAVG: 1012600 3.46258 54.7757 -2.8416 54.7756 33.9253 -15.2979 -2.84157 -15.2979 -3.81948 GPRESSAVG: 1012600 5.8533 51.2253 -4.13696 56.8898 32.2034 -13.6729 -4.19531 -14.7544 -4.59464 TIMING: 1012600 CPU: 3158.02, 0.00312225/step Wall: 3158.02, 0.00312225/step, 3.45824 hours remaining, 235.347656 MB of memory in use. ENERGY: 1012600 4000.2653 20433.0608 14477.6404 233.0663 -203581.1288 2897.3964 0.0000 0.0000 51982.5320 -109557.1676 298.7443 -161539.6996 -109193.6298 298.7654 38.7993 67.0611 763615.9961 11.1895 11.1540 PRESSURE: 1012800 -497.332 53.5104 32.9005 53.5111 -246.009 -14.4422 32.9003 -14.4411 -15.1572 GPRESSURE: 1012800 -457.299 147.762 -40.3406 98.8937 -165.314 7.4627 -3.93871 -61.8443 -41.1225 PRESSAVG: 1012800 5.41724 37.2507 20.2989 37.2508 -2.11588 -33.109 20.299 -33.1089 -2.24538 GPRESSAVG: 1012800 4.3392 39.5945 21.0619 35.7806 -1.86877 -33.0171 20.3055 -35.6322 -2.43605 TIMING: 1012800 CPU: 3158.65, 0.00312475/step Wall: 3158.65, 0.00312475/step, 3.46084 hours remaining, 235.347656 MB of memory in use. ENERGY: 1012800 3948.1770 20415.8299 14407.0399 229.4463 -202968.3441 2537.3133 0.0000 0.0000 52035.1880 -109395.3496 299.0469 -161430.5376 -109027.0405 298.6087 -252.8328 -221.2451 763784.5724 0.3520 0.0115 PRESSURE: 1013000 122.851 136.72 176.217 136.72 164.923 46.1302 176.217 46.13 191.441 GPRESSURE: 1013000 168.592 104.492 136.609 207.397 306.944 -23.2827 55.9305 92.9212 84.9415 PRESSAVG: 1013000 -6.4506 16.2078 22.1112 16.2077 -3.4477 -35.3203 22.1112 -35.3203 3.78107 GPRESSAVG: 1013000 -5.83269 13.7951 20.7693 17.284 -2.94183 -35.7032 22.9856 -34.1567 3.07433 TIMING: 1013000 CPU: 3159.27, 0.00312447/step Wall: 3159.27, 0.00312447/step, 3.46035 hours remaining, 235.347656 MB of memory in use. ENERGY: 1013000 3936.2667 20568.2768 14423.5807 251.2881 -203401.2348 2884.6488 0.0000 0.0000 51882.3669 -109454.8069 298.1687 -161337.1738 -109094.5980 298.6151 159.7381 186.8258 762981.5194 -2.0391 -1.9001 PRESSURE: 1013200 -250.831 -121.22 -179.467 -121.22 65.2966 110.764 -179.466 110.764 75.6259 GPRESSURE: 1013200 -149.53 45.2536 -80.8337 -119.874 55.8211 94.4333 -112.593 209.36 54.4803 PRESSAVG: 1013200 -48.5123 -12.6573 8.11639 -12.6573 45.8178 -22.2836 8.1164 -22.2836 13.7819 GPRESSAVG: 1013200 -49.3518 -10.5708 9.26372 -15.4396 45.9103 -23.2384 5.55291 -22.1537 14.4912 TIMING: 1013200 CPU: 3159.9, 0.00312853/step Wall: 3159.9, 0.00312853/step, 3.46467 hours remaining, 235.347656 MB of memory in use. ENERGY: 1013200 4023.4081 20552.3745 14406.0584 234.4315 -203138.0819 2520.1858 0.0000 0.0000 51683.9604 -109717.6631 297.0284 -161401.6236 -109357.7507 298.6339 -36.6362 -13.0761 762385.5888 3.6958 3.6833 PRESSURE: 1013400 -217.697 -178.814 218.798 -178.814 -252.252 88.119 218.797 88.1197 75.407 GPRESSURE: 1013400 -192.088 -302.317 176.263 -170.468 -272.875 0.942879 95.7098 52.4078 140.1 PRESSAVG: 1013400 30.4948 -24.4046 -20.8692 -24.4047 -34.1411 -71.8162 -20.8691 -71.8162 -1.47202 GPRESSAVG: 1013400 30.3837 -25.4769 -21.9302 -24.9057 -35.2738 -71.8234 -17.7971 -72.3971 -1.14174 TIMING: 1013400 CPU: 3160.52, 0.0031207/step Wall: 3160.52, 0.0031207/step, 3.45583 hours remaining, 235.347656 MB of memory in use. ENERGY: 1013400 3984.2331 20373.6020 14469.9352 259.0136 -203457.3951 2777.6345 0.0000 0.0000 51932.0034 -109660.9734 298.4539 -161592.9768 -109288.1337 298.0289 -131.5139 -108.2877 760065.5230 -1.7061 -2.0106 PRESSURE: 1013600 179.06 22.4674 -92.636 22.4674 -196.458 -194.493 -92.6364 -194.492 112.985 GPRESSURE: 1013600 106.064 -88.0881 -172.482 38.0934 -78.9811 -170.713 -82.6533 -166.869 147.722 PRESSAVG: 1013600 34.9801 33.1861 27.686 33.1861 -15.9304 0.842219 27.6859 0.842198 -15.8196 GPRESSAVG: 1013600 35.3291 34.1231 27.758 35.6402 -14.831 1.12429 24.8066 1.46712 -16.7208 TIMING: 1013600 CPU: 3161.15, 0.00312272/step Wall: 3161.15, 0.00312272/step, 3.45789 hours remaining, 235.347656 MB of memory in use. ENERGY: 1013600 3971.4711 20434.8420 14419.7886 261.7015 -203618.5578 2692.4538 0.0000 0.0000 52279.5872 -109558.7136 300.4515 -161838.3008 -109189.1525 298.5913 31.8624 58.2683 761071.2765 1.0767 1.2591 PRESSURE: 1013800 238.117 -46.9879 -16.1527 -46.9869 124.315 117.051 -16.1531 117.051 261.785 GPRESSURE: 1013800 350.911 -78.1981 -31.0416 -53.6144 104.755 134.974 -33.4292 66.35 260.852 PRESSAVG: 1013800 -3.30709 6.03486 -13.5359 6.03492 9.94641 32.6518 -13.5358 32.6517 23.9234 GPRESSAVG: 1013800 -3.1772 4.55634 -13.2209 4.84618 9.33448 31.9884 -13.2653 31.0751 24.475 TIMING: 1013800 CPU: 3161.77, 0.00311707/step Wall: 3161.77, 0.00311707/step, 3.45146 hours remaining, 235.347656 MB of memory in use. ENERGY: 1013800 3998.1676 20435.9678 14490.4112 218.9679 -203689.5198 3200.4837 0.0000 0.0000 51916.5936 -109428.9280 298.3654 -161345.5216 -109066.1604 298.8399 208.0721 238.8394 761925.0849 10.1876 10.2107 PRESSURE: 1014000 -127.227 -2.81059 2.98019 -2.81041 -221.258 34.9631 2.98051 34.9623 23.7493 GPRESSURE: 1014000 -111.176 22.986 65.9848 20.9533 -161.795 -57.9361 -43.1739 61.3734 29.3632 PRESSAVG: 1014000 25.0666 6.2091 18.1482 6.20906 -25.0715 -34.0125 18.1482 -34.0125 -10.4158 GPRESSAVG: 1014000 25.7321 4.40014 19.5036 7.38371 -25.2693 -32.2181 17.6786 -32.3511 -10.9474 TIMING: 1014000 CPU: 3162.39, 0.00312039/step Wall: 3162.39, 0.00312039/step, 3.45496 hours remaining, 235.347656 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: 1014000 4003.3984 20353.7977 14428.2356 226.3790 -203283.1504 2827.0833 0.0000 0.0000 52076.6717 -109367.5848 299.2853 -161444.2565 -109009.6520 299.0187 -108.2454 -81.2026 762771.8784 -3.4735 -3.4948 PRESSURE: 1014200 -104.745 -45.6777 -170.792 -45.6778 -161.349 -273.47 -170.792 -273.469 65.9734 GPRESSURE: 1014200 -29.2775 20.8732 -95.591 -5.49483 -178.553 -307.99 -230.38 -163.796 78.2787 PRESSAVG: 1014200 51.1588 22.0008 -15.109 22.0008 -15.9204 -30.5591 -15.1089 -30.5591 1.19553 GPRESSAVG: 1014200 50.9458 26.7669 -16.5457 21.1723 -15.9168 -32.9476 -12.9609 -31.306 1.46666 TIMING: 1014200 CPU: 3163.02, 0.00311127/step Wall: 3163.02, 0.00311127/step, 3.4447 hours remaining, 235.347656 MB of memory in use. ENERGY: 1014200 4028.5019 20555.7858 14390.3778 246.7336 -203801.6621 3193.7949 0.0000 0.0000 51917.4500 -109469.0180 298.3703 -161386.4680 -109108.1940 298.8251 -66.7069 -43.1840 763481.8675 12.1446 12.1652 PRESSURE: 1014400 -84.7289 137.097 -140.012 137.098 -237.059 -141.465 -140.013 -141.465 -187.746 GPRESSURE: 1014400 -39.2673 149.862 -79.404 95.2713 -249.302 -202.531 -124.469 -85.7412 -124.595 PRESSAVG: 1014400 8.80498 -54.0849 -4.73999 -54.0849 -23.4516 -17.5314 -4.74008 -17.5314 11.1879 GPRESSAVG: 1014400 8.61074 -53.0341 -3.62325 -54.0318 -23.1773 -17.3618 -6.29887 -17.5125 11.4985 TIMING: 1014400 CPU: 3163.64, 0.0031261/step Wall: 3163.64, 0.0031261/step, 3.46094 hours remaining, 235.347656 MB of memory in use. ENERGY: 1014400 4000.7593 20214.8169 14456.7369 238.5492 -203297.7641 2854.7277 0.0000 0.0000 51845.9376 -109686.2366 297.9593 -161532.1742 -109324.6862 298.2782 -169.8448 -137.7215 766186.4223 -1.1529 -1.0227 PRESSURE: 1014600 -202.734 -67.327 -82.5949 -67.3271 -4.75183 97.7114 -82.5955 97.7107 24.8623 GPRESSURE: 1014600 -95.2846 -1.545 63.7308 0.647294 -47.2074 84.3866 -53.8382 95.266 46.6221 PRESSAVG: 1014600 49.7283 11.1727 54.9651 11.1727 -47.4573 -37.1621 54.9651 -37.1622 12.7944 GPRESSAVG: 1014600 48.0533 8.98991 55.2615 11.1545 -46.054 -35.7942 55.9547 -36.2624 13.0951 TIMING: 1014600 CPU: 3164.27, 0.00312444/step Wall: 3164.27, 0.00312444/step, 3.45892 hours remaining, 235.347656 MB of memory in use. ENERGY: 1014600 3997.3698 20219.5320 14400.3327 247.0250 -203819.0427 3155.0236 0.0000 0.0000 52092.5768 -109707.1828 299.3768 -161799.7596 -109343.0477 297.3151 -60.8746 -31.9566 763067.9351 5.0218 5.0315 PRESSURE: 1014800 -282.073 9.27931 -155.459 9.27968 -285.028 -70.5583 -155.46 -70.5583 -334.333 GPRESSURE: 1014800 -319.713 2.90276 -251.52 -62.1363 -165.964 -50.9505 -168.851 -218.353 -314.138 PRESSAVG: 1014800 14.2572 19.0398 25.7713 19.0399 3.52648 8.8378 25.7713 8.83777 34.7972 GPRESSAVG: 1014800 15.7201 19.0972 24.2705 18.2064 2.98914 8.54645 23.4779 8.42583 33.8552 TIMING: 1014800 CPU: 3164.89, 0.00311323/step Wall: 3164.89, 0.00311323/step, 3.44634 hours remaining, 235.347656 MB of memory in use. ENERGY: 1014800 4010.5007 20369.0506 14411.7852 252.8971 -203436.4439 2858.7293 0.0000 0.0000 51659.1294 -109874.3516 296.8857 -161533.4810 -109525.0771 297.8221 -300.4779 -266.6052 762667.0407 17.5270 17.5215 PRESSURE: 1015000 25.0344 3.846 130.371 3.84666 132.837 -49.6667 130.372 -49.6666 109.626 GPRESSURE: 1015000 100.479 -77.9364 133.162 57.7827 126.461 5.53288 103.885 -233.278 106.922 PRESSAVG: 1015000 18.1513 9.60984 -38.3454 9.6098 -27.9657 -7.74593 -38.3454 -7.74601 -6.75452 GPRESSAVG: 1015000 17.6254 9.77566 -36.9268 11.5645 -28.3706 -8.42724 -35.8869 -7.34131 -6.40848 TIMING: 1015000 CPU: 3165.51, 0.00311499/step Wall: 3165.51, 0.00311499/step, 3.44812 hours remaining, 235.347656 MB of memory in use. ENERGY: 1015000 3960.4662 20419.2585 14389.4692 251.3989 -203208.2539 2873.3392 0.0000 0.0000 51486.2881 -109828.0338 295.8924 -161314.3219 -109474.3243 297.4522 89.1659 111.2876 764115.6429 -5.5230 -5.7179 PRESSURE: 1015200 -2.4423 66.4948 257.498 66.4951 -10.7011 -59.9413 257.498 -59.9418 -69.4927 GPRESSURE: 1015200 51.859 37.0008 260.594 92.9689 27.1366 -69.2581 293.77 -113.538 -62.7351 PRESSAVG: 1015200 12.3396 19.9645 33.3134 19.9645 -4.09147 -21.8152 33.3134 -21.8151 19.6238 GPRESSAVG: 1015200 11.8623 18.7736 33.6365 20.4773 -2.41995 -21.0631 31.7027 -22.9574 18.394 TIMING: 1015200 CPU: 3166.13, 0.00310541/step Wall: 3166.13, 0.00310541/step, 3.43734 hours remaining, 235.347656 MB of memory in use. ENERGY: 1015200 3935.8832 20412.8318 14411.0223 244.0106 -203450.0472 2926.9168 0.0000 0.0000 51748.9274 -109770.4550 297.4018 -161519.3824 -109410.3992 297.7153 -27.5454 5.4202 763515.9195 9.2906 9.2788 PRESSURE: 1015400 -37.313 -54.2345 -169.444 -54.2343 53.7465 -66.5807 -169.444 -66.5805 118.755 GPRESSURE: 1015400 -71.4932 33.397 -190.449 -31.6171 61.3055 -45.05 -123.751 -16.4745 248.021 PRESSAVG: 1015400 8.73906 -44.5753 -5.60873 -44.5753 -58.9028 -18.9086 -5.6087 -18.9086 7.16077 GPRESSAVG: 1015400 8.61738 -44.1312 -5.68908 -46.3427 -60.7319 -18.8881 -4.92939 -18.4948 9.34761 TIMING: 1015400 CPU: 3166.76, 0.00311245/step Wall: 3166.76, 0.00311245/step, 3.44496 hours remaining, 235.347656 MB of memory in use. ENERGY: 1015400 3926.8202 20507.3911 14397.0666 247.3238 -203821.8385 3206.5005 0.0000 0.0000 51786.3662 -109750.3703 297.6170 -161536.7364 -109405.0971 297.6186 45.0630 79.2778 763130.5829 -14.3343 -14.2556 PRESSURE: 1015600 171.006 148.876 -65.239 148.875 125.032 -150.912 -65.2394 -150.912 -291.376 GPRESSURE: 1015600 70.9942 50.1123 -42.0856 111.878 142.225 -128.549 1.20322 -225.493 -151.554 PRESSAVG: 1015600 25.9809 -8.21385 22.5394 -8.21388 -5.37252 47.0153 22.5394 47.0153 0.482979 GPRESSAVG: 1015600 26.6601 -8.26478 22.3827 -7.63451 -5.91106 47.3508 24.6588 45.9968 -0.418227 TIMING: 1015600 CPU: 3167.38, 0.00312949/step Wall: 3167.38, 0.00312949/step, 3.46365 hours remaining, 235.347656 MB of memory in use. ENERGY: 1015600 4028.5062 20302.0119 14435.3213 258.2698 -203259.0762 2942.0144 0.0000 0.0000 51852.6395 -109440.3131 297.9978 -161292.9526 -109081.1273 297.7754 1.5538 20.5551 764076.5931 7.0305 6.7769 PRESSURE: 1015800 354.977 -93.078 56.0489 -93.0787 106.689 71.217 56.0493 71.2167 -49.8023 GPRESSURE: 1015800 477.562 -77.1279 77.5862 -83.0805 67.2816 100.648 137.148 182.105 -56.2687 PRESSAVG: 1015800 24.6895 -38.0082 -9.26782 -38.0082 -47.4214 34.5062 -9.26782 34.5062 -2.84386 GPRESSAVG: 1015800 25.1851 -37.6252 -9.06239 -39.4204 -47.2911 34.4425 -8.92572 36.4481 -3.25442 TIMING: 1015800 CPU: 3168.01, 0.00312328/step Wall: 3168.01, 0.00312328/step, 3.45661 hours remaining, 235.347656 MB of memory in use. ENERGY: 1015800 4026.4689 20431.5358 14516.3855 253.4513 -203611.5088 3174.3808 0.0000 0.0000 51957.6154 -109251.6711 298.6011 -161209.2865 -108897.2897 298.5089 137.2878 162.8584 765368.0079 -8.5253 -8.4535 PRESSURE: 1016000 109.433 -112.538 30.8196 -112.538 -80.0385 -147.037 30.8196 -147.038 117.749 GPRESSURE: 1016000 137.604 -125.043 -35.2241 80.7799 -4.16243 -112.221 19.8978 -130.542 94.2847 PRESSAVG: 1016000 31.8725 -55.8573 27.8489 -55.8573 -21.0792 38.4625 27.8489 38.4625 2.41513 GPRESSAVG: 1016000 31.6567 -55.7313 28.9266 -52.9334 -20.057 35.7106 26.8902 39.1205 2.59542 TIMING: 1016000 CPU: 3168.63, 0.00312813/step Wall: 3168.63, 0.00312813/step, 3.4618 hours remaining, 235.347656 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: 1016000 3962.6453 20409.9481 14468.8343 249.1065 -203336.1065 2964.0587 0.0000 0.0000 52163.6215 -109117.8921 299.7850 -161281.5136 -108749.8892 298.9754 49.0476 75.9089 765165.7743 4.4028 4.7317 PRESSURE: 1016200 -301.5 -19.6166 -20.0648 -19.6167 -358.679 -0.623668 -20.0648 -0.624276 -150.658 GPRESSURE: 1016200 -233.028 -13.9566 30.0204 -14.8063 -377.518 -46.1328 3.28511 -9.33236 -124.835 PRESSAVG: 1016200 59.392 3.93498 -16.4671 3.93493 -41.2339 38.5866 -16.467 38.5867 -21.1426 GPRESSAVG: 1016200 59.7153 4.27073 -16.6671 3.81127 -41.9933 41.6793 -18.7083 37.8615 -21.0005 TIMING: 1016200 CPU: 3169.26, 0.00312178/step Wall: 3169.26, 0.00312178/step, 3.4546 hours remaining, 235.347656 MB of memory in use. ENERGY: 1016200 3969.1706 20567.2562 14510.3422 230.8468 -202763.5701 2532.6717 0.0000 0.0000 51845.5546 -109107.7280 297.9571 -160953.2826 -108747.9093 299.2947 -270.2789 -245.1269 764056.4411 -0.9948 -1.0928 LDB: ============= START OF LOAD BALANCING ============== 3181.74 LDB: ============== END OF LOAD BALANCING =============== 3181.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3181.74 LDB: ============= START OF LOAD BALANCING ============== 3182.05 LDB: Largest compute 6972 load 0.032393 is 16.6% of average load 0.195077 LDB: Average compute 0.004409 is 2.3% of average load 0.195077 LDB: TIME 3182.06 LOAD: AVG 0.195077 MAX 0.217196 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.703 MB LDB: TIME 3182.06 LOAD: AVG 0.195077 MAX 0.217196 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.703 MB LDB: TIME 3182.06 LOAD: AVG 0.195077 MAX 0.217196 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.703 MB LDB: ============== END OF LOAD BALANCING =============== 3182.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3182.06 PRESSURE: 1016400 -41.1486 -51.3536 236.605 -51.3535 -82.3438 32.634 236.605 32.6335 -102.076 GPRESSURE: 1016400 12.4249 -84.8698 279.967 -135.575 -33.1664 29.3791 196.927 86.0845 -105.758 PRESSAVG: 1016400 -6.33225 -28.1248 21.2181 -28.1248 14.2396 -28.9599 21.2181 -28.96 3.65187 GPRESSAVG: 1016400 -6.58964 -28.3175 20.8882 -27.8304 14.297 -29.0911 23.5042 -29.5343 4.193 TIMING: 1016400 CPU: 3169.9, 0.00320739/step Wall: 3169.9, 0.00320739/step, 3.54915 hours remaining, 234.570312 MB of memory in use. ENERGY: 1016400 3980.3304 20637.6650 14468.6644 258.5312 -202979.4238 2861.5193 0.0000 0.0000 51700.7762 -109071.9373 297.1251 -160772.7136 -108726.3797 299.3840 -75.1895 -42.1665 763956.3226 3.8531 3.9668 PRESSURE: 1016600 43.9968 -111.45 -161.105 -111.449 -7.93649 -139.863 -161.104 -139.863 106.831 GPRESSURE: 1016600 99.8182 -137.804 -175.119 -112.437 63.1613 -110.446 -111.775 -95.626 59.4094 PRESSAVG: 1016600 32.3839 -20.4834 -65.5344 -20.4835 -72.7974 -55.5169 -65.5344 -55.5169 -4.13172 GPRESSAVG: 1016600 32.6204 -21.2158 -64.6109 -21.6198 -73.4215 -55.3358 -65.7821 -54.2209 -3.52639 TIMING: 1016600 CPU: 3170.53, 0.00313714/step Wall: 3170.53, 0.00313714/step, 3.47125 hours remaining, 234.570312 MB of memory in use. ENERGY: 1016600 3933.4797 20564.8507 14522.2601 249.8121 -203335.5478 2805.4944 0.0000 0.0000 52119.6937 -109139.9571 299.5326 -161259.6508 -108774.7812 299.1766 47.6304 74.1296 764268.0850 -14.8484 -14.7758 PRESSURE: 1016800 -132.772 50.395 99.8457 50.3942 264.106 -149.26 99.8469 -149.26 -38.1278 GPRESSURE: 1016800 -32.4622 98.0157 -21.7052 94.5408 204.429 -145.375 7.55116 -148.401 -5.04071 PRESSAVG: 1016800 8.48873 34.4217 29.0762 34.4217 37.9362 -39.6218 29.0762 -39.6218 -9.44738 GPRESSAVG: 1016800 8.30288 35.7129 28.7047 34.2632 38.3138 -38.7867 29.6347 -40.7261 -9.55337 TIMING: 1016800 CPU: 3171.15, 0.0031203/step Wall: 3171.15, 0.0031203/step, 3.45243 hours remaining, 234.570312 MB of memory in use. ENERGY: 1016800 4032.6721 20572.5457 14507.7863 243.8305 -203656.2054 3029.5469 0.0000 0.0000 52106.4948 -109163.3291 299.4567 -161269.8239 -108798.6498 298.8900 31.0688 55.6422 764047.2853 12.3258 12.3544 PRESSURE: 1017000 -313.229 -10.1596 79.6205 -10.1597 -35.9668 297.242 79.6221 297.242 -96.9748 GPRESSURE: 1017000 -199.354 -24.136 58.1352 -59.9935 -54.3874 223.405 -38.8295 314.07 -107.141 PRESSAVG: 1017000 -13.8775 -8.40337 -81.7677 -8.40332 -7.48961 5.94635 -81.7677 5.94638 10.0724 GPRESSAVG: 1017000 -13.8196 -7.73019 -82.2844 -6.69732 -6.92392 5.72632 -84.8839 5.88103 8.8191 TIMING: 1017000 CPU: 3171.78, 0.00312859/step Wall: 3171.78, 0.00312858/step, 3.46143 hours remaining, 234.570312 MB of memory in use. ENERGY: 1017000 3994.9724 20648.4492 14417.1684 263.5966 -203004.4844 2680.1594 0.0000 0.0000 51889.3323 -109110.8060 298.2087 -161000.1384 -108742.7958 298.8917 -148.7237 -120.2943 765222.7888 -3.7649 -3.9748 PRESSURE: 1017200 39.5904 -133.824 29.0305 -133.823 -106.042 269.024 29.0308 269.024 -307.597 GPRESSURE: 1017200 131.522 -88.2393 0.113363 -0.311709 -66.2263 239.286 90.2292 227.052 -348.894 PRESSAVG: 1017200 31.6241 -11.2148 0.0651774 -11.2148 -18.9084 10.3461 0.0652078 10.3462 3.50258 GPRESSAVG: 1017200 31.4012 -11.0795 0.0625106 -13.315 -18.4267 9.03501 3.69645 9.84532 3.27041 TIMING: 1017200 CPU: 3172.4, 0.00312234/step Wall: 3172.4, 0.00312234/step, 3.45435 hours remaining, 234.570312 MB of memory in use. ENERGY: 1017200 4051.3173 20626.6010 14456.8520 268.9598 -203346.4379 2755.7832 0.0000 0.0000 52313.9895 -108872.9351 300.6492 -161186.9246 -108512.7757 299.3424 -124.6831 -94.5328 763694.2146 5.4061 5.4150 PRESSURE: 1017400 -104.268 -153.673 308.18 -153.673 -358.702 -54.6784 308.18 -54.6786 -8.28002 GPRESSURE: 1017400 -62.346 -167.75 241.151 -137.667 -282.074 -93.9634 353.788 42.4139 -35.4008 PRESSAVG: 1017400 86.043 -25.0403 -15.2336 -25.0403 -38.6281 8.67814 -15.2335 8.67821 0.150449 GPRESSAVG: 1017400 85.174 -26.3615 -16.0636 -23.1391 -37.3381 10.2181 -17.3086 8.23296 -0.0833347 TIMING: 1017400 CPU: 3173.02, 0.00311345/step Wall: 3173.02, 0.00311345/step, 3.44434 hours remaining, 234.570312 MB of memory in use. ENERGY: 1017400 4013.9057 20559.0214 14471.9380 260.2861 -203173.3393 2850.3569 0.0000 0.0000 52059.0471 -108958.7840 299.1841 -161017.8312 -108593.1183 300.0745 -157.0833 -126.6069 764715.6130 15.8551 15.9175 PRESSURE: 1017600 542.371 32.7276 -27.044 32.7279 260.311 200.563 -27.0435 200.563 22.848 GPRESSURE: 1017600 568.388 191.757 11.8581 61.7784 343.367 171.314 78.5845 150.98 23.322 PRESSAVG: 1017600 68.9016 3.66715 -18.796 3.66719 -32.884 1.87043 -18.796 1.87037 24.1997 GPRESSAVG: 1017600 68.6314 4.33452 -18.4019 2.90649 -35.1738 1.04638 -16.4881 1.80612 26.8406 TIMING: 1017600 CPU: 3173.65, 0.00311632/step Wall: 3173.65, 0.00311632/step, 3.44735 hours remaining, 234.570312 MB of memory in use. ENERGY: 1017600 3984.0114 20590.3357 14543.6420 256.0956 -203325.0245 3071.5971 0.0000 0.0000 52092.7082 -108786.6345 299.3775 -160879.3427 -108424.8533 300.3551 275.1766 311.6923 762129.8681 20.0724 20.0994 PRESSURE: 1017800 35.8605 58.1841 76.8919 58.1841 -155.5 -198.178 76.8929 -198.178 63.2484 GPRESSURE: 1017800 -28.6007 28.6874 86.8615 140.613 -85.917 -122.284 25.3755 -141.756 135.123 PRESSAVG: 1017800 52.5793 52.0998 11.2202 52.0997 -32.2519 -11.6097 11.2202 -11.6097 11.7822 GPRESSAVG: 1017800 52.6395 53.3406 12.2671 52.6545 -30.9358 -9.17064 9.72676 -12.307 9.85446 TIMING: 1017800 CPU: 3174.27, 0.00313705/step Wall: 3174.27, 0.00313705/step, 3.4701 hours remaining, 234.570312 MB of memory in use. ENERGY: 1017800 4052.4092 20813.0918 14424.6526 242.3016 -203396.3737 2908.2553 0.0000 0.0000 51989.0948 -108966.5684 298.7820 -160955.6632 -108616.5267 299.8705 -18.7969 6.8683 762642.8370 10.7032 10.5194 PRESSURE: 1018000 -174.679 -269.417 -155.136 -269.417 -171.606 -24.3628 -155.135 -24.3627 -49.6863 GPRESSURE: 1018000 -57.1348 -335.012 -158.629 -163.023 -169.192 9.75736 -195.132 -85.8639 -72.8664 PRESSAVG: 1018000 59.6619 -25.4656 5.72159 -25.4655 -21.3474 16.3494 5.72163 16.3494 2.87033 GPRESSAVG: 1018000 59.6419 -27.7972 3.89038 -25.1296 -20.9353 14.6931 8.15797 17.0796 2.66985 TIMING: 1018000 CPU: 3174.9, 0.00312078/step Wall: 3174.9, 0.00312078/step, 3.45193 hours remaining, 234.570312 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: 1018000 4007.8733 20619.9594 14414.2324 249.5277 -202986.6815 2568.4272 0.0000 0.0000 52162.7338 -108963.9276 299.7799 -161126.6613 -108598.7575 299.7703 -131.9902 -99.7312 762435.0432 13.7283 13.7922 PRESSURE: 1018200 39.7238 143.777 -125.39 143.779 33.0018 256.049 -125.389 256.047 -60.5396 GPRESSURE: 1018200 61.7576 117.243 -87.1638 45.1328 4.69006 235.677 -142.311 297.15 5.9707 PRESSAVG: 1018200 80.8533 -63.671 29.6257 -63.671 -40.0031 -27.5415 29.6257 -27.5416 15.8773 GPRESSAVG: 1018200 81.6335 -62.8676 29.7212 -63.3419 -41.1591 -27.9693 29.0207 -27.5544 15.4689 TIMING: 1018200 CPU: 3175.52, 0.00311837/step Wall: 3175.52, 0.00311837/step, 3.44909 hours remaining, 234.570312 MB of memory in use. ENERGY: 1018200 4025.0295 20566.6897 14471.6820 244.8159 -203362.5388 2965.4409 0.0000 0.0000 52033.1681 -109055.7127 299.0353 -161088.8809 -108691.1837 299.6770 4.0620 24.1395 762550.6236 18.9091 18.6478 PRESSURE: 1018400 214.884 -127.83 -49.5594 -127.829 111.858 -62.1716 -49.5602 -62.1714 352.325 GPRESSURE: 1018400 314.769 -186.333 -61.8874 -139.047 129.807 -74.7906 -58.7571 -13.6936 322.314 PRESSAVG: 1018400 -15.793 -3.52978 30.6202 -3.5298 -6.51836 26.0024 30.6202 26.0024 -6.40089 GPRESSAVG: 1018400 -15.8974 -3.77595 32.6832 -4.02365 -6.10107 26.801 28.2061 26.5 -7.14196 TIMING: 1018400 CPU: 3176.15, 0.00314424/step Wall: 3176.15, 0.00314423/step, 3.47752 hours remaining, 234.570312 MB of memory in use. ENERGY: 1018400 4013.3785 20522.0122 14427.5644 248.2905 -203402.8196 2963.0215 0.0000 0.0000 52167.1231 -109061.4295 299.8052 -161228.5526 -108704.7846 299.8241 226.3558 255.6302 762602.9476 -9.5707 -9.7135 PRESSURE: 1018600 -69.803 -209.421 205.61 -209.42 -116.021 17.8426 205.61 17.8419 -80.1773 GPRESSURE: 1018600 -92.2774 -193.789 221.715 -304.029 -97.5536 116.165 141.624 104.286 2.06065 PRESSAVG: 1018600 68.2969 -39.7953 53.8815 -39.7952 -62.02 -12.4838 53.8816 -12.4838 1.79153 GPRESSAVG: 1018600 68.5117 -42.029 51.8867 -40.1538 -62.4462 -11.565 55.5151 -13.9077 2.19677 TIMING: 1018600 CPU: 3176.78, 0.00313748/step Wall: 3176.78, 0.00313748/step, 3.46988 hours remaining, 234.570312 MB of memory in use. ENERGY: 1018600 3966.7542 20679.8554 14463.0197 262.3831 -203018.6626 2498.8166 0.0000 0.0000 52047.7187 -109100.1148 299.1190 -161147.8336 -108732.1885 299.0673 -88.6670 -62.5901 762719.7965 2.6895 2.7541 PRESSURE: 1018800 -274.177 -143.411 210.069 -143.412 106.913 -208.115 210.068 -208.115 97.9979 GPRESSURE: 1018800 -183.785 -135.45 220.062 -34.532 83.4667 -192.708 183.808 -255.393 103.142 PRESSAVG: 1018800 40.1784 -25.4503 60.7411 -25.4503 30.4268 -38.8631 60.7411 -38.8632 -13.8484 GPRESSAVG: 1018800 40.6117 -22.6671 60.8558 -25.009 29.7927 -37.4667 60.2582 -38.4036 -13.3837 TIMING: 1018800 CPU: 3177.4, 0.00311933/step Wall: 3177.4, 0.00311933/step, 3.44964 hours remaining, 234.570312 MB of memory in use. ENERGY: 1018800 3995.5840 20475.4392 14406.7810 231.7529 -203409.4313 3176.1469 0.0000 0.0000 52015.8617 -109107.8656 298.9359 -161123.7273 -108743.6240 299.0652 -23.0888 0.9411 763299.2360 18.9189 19.0069 PRESSURE: 1019000 199.405 -148.572 -216.528 -148.571 54.498 -19.8445 -216.528 -19.8451 -287.801 GPRESSURE: 1019000 248.039 -203.8 -286.991 -86.2853 56.6563 -19.2722 -109.067 65.7411 -253.114 PRESSAVG: 1019000 12.2912 -9.37729 22.1672 -9.37731 10.1006 -2.15411 22.1672 -2.15413 20.2712 GPRESSAVG: 1019000 11.5962 -10.4826 22.0891 -9.85762 11.2431 -3.80575 22.1538 -2.00038 19.73 TIMING: 1019000 CPU: 3178.03, 0.00312337/step Wall: 3178.03, 0.00312337/step, 3.45393 hours remaining, 234.570312 MB of memory in use. ENERGY: 1019000 3955.8602 20473.4911 14449.9286 245.3917 -202881.8383 2812.2467 0.0000 0.0000 52103.6484 -108841.2716 299.4404 -160944.9200 -108480.1255 298.8360 -11.2994 17.1938 762517.1021 14.2210 14.1898 PRESSURE: 1019200 424.787 76.6941 -156.567 76.6942 19.6186 203.289 -156.567 203.289 -306.409 GPRESSURE: 1019200 421.916 1.14138 -164.866 72.086 -33.3938 184.592 -204.369 264.321 -154.847 PRESSAVG: 1019200 51.77 42.8062 97.3798 42.8062 -67.7924 14.6598 97.3798 14.6596 -7.35605 GPRESSAVG: 1019200 51.1408 41.7234 96.3427 43.9801 -67.2804 12.8332 98.0107 16.252 -6.75032 TIMING: 1019200 CPU: 3178.65, 0.00311917/step Wall: 3178.65, 0.00311917/step, 3.44911 hours remaining, 234.570312 MB of memory in use. ENERGY: 1019200 3924.1529 20578.5649 14435.9049 234.7386 -203395.4316 3092.2266 0.0000 0.0000 51977.4533 -109152.3905 298.7151 -161129.8437 -108791.3466 298.9222 45.9988 77.8917 764648.9851 -7.7928 -7.6300 PRESSURE: 1019400 -131.463 48.7093 161.577 48.708 60.494 33.066 161.576 33.0658 -306.588 GPRESSURE: 1019400 -75.5589 32.597 107.641 -26.14 45.3019 -25.3407 294.282 -63.7062 -261.419 PRESSAVG: 1019400 12.5736 45.1825 41.1244 45.1824 3.28027 9.28657 41.1244 9.28658 -7.23109 GPRESSAVG: 1019400 14.266 45.4454 42.3311 42.9062 1.76157 10.6733 42.4282 8.5733 -7.78029 TIMING: 1019400 CPU: 3179.28, 0.00313564/step Wall: 3179.28, 0.00313564/step, 3.46715 hours remaining, 234.570312 MB of memory in use. ENERGY: 1019400 4057.7168 20605.5913 14389.2592 245.6878 -203351.3724 2955.2816 0.0000 0.0000 52030.8017 -109067.0341 299.0217 -161097.8357 -108710.9160 298.9505 -125.8525 -97.2253 761639.2246 2.8742 2.7491 PRESSURE: 1019600 563.694 -158.878 -124.604 -158.878 47.5949 -391.849 -124.604 -391.848 -81.6693 GPRESSURE: 1019600 597.104 -133.923 -137.758 -72.7808 91.6562 -294.162 -128.467 -312.135 -68.4248 PRESSAVG: 1019600 62.6282 -53.6171 20.6541 -53.6169 -23.2358 25.8019 20.6541 25.802 1.48966 GPRESSAVG: 1019600 62.1588 -54.2139 21.5461 -52.5173 -21.8966 24.0163 18.9342 24.527 0.642407 TIMING: 1019600 CPU: 3179.9, 0.00312948/step Wall: 3179.9, 0.00312948/step, 3.46016 hours remaining, 234.570312 MB of memory in use. ENERGY: 1019600 3963.1996 20546.3087 14457.0560 238.7013 -203354.6148 2954.0936 0.0000 0.0000 52190.8113 -109004.4443 299.9413 -161195.2556 -108644.2401 299.2153 176.5398 206.7785 761416.2476 13.6274 13.6349 PRESSURE: 1019800 -135.53 -19.0314 -82.5463 -19.0307 82.1115 -114.355 -82.5459 -114.355 -144.583 GPRESSURE: 1019800 -129.99 -42.5176 18.4765 -18.2973 185.288 -171.367 -89.9711 -207.727 -160.246 PRESSAVG: 1019800 110.867 -46.721 -36.4199 -46.721 -53.3031 -14.6768 -36.4199 -14.6768 12.291 GPRESSAVG: 1019800 109.699 -44.9643 -36.7366 -45.1428 -51.8846 -13.1898 -38.4079 -14.6831 12.7565 TIMING: 1019800 CPU: 3180.53, 0.00312302/step Wall: 3180.53, 0.00312302/step, 3.45285 hours remaining, 234.570312 MB of memory in use. ENERGY: 1019800 4003.0330 20366.4778 14465.1220 244.3840 -202996.5436 2624.9932 0.0000 0.0000 52158.2715 -109134.2621 299.7543 -161292.5335 -108771.1355 298.8396 -66.0005 -34.9829 762365.4890 23.2851 23.5237 PRESSURE: 1020000 147.187 124.537 -91.2587 124.538 15.4832 -186.929 -91.2584 -186.928 182.218 GPRESSURE: 1020000 223.813 39.0171 -47.0057 87.4704 3.62698 -134.943 17.8644 -30.376 191.182 PRESSAVG: 1020000 18.3532 29.71 -32.5841 29.71 -36.9483 8.15411 -32.584 8.15414 6.06233 GPRESSAVG: 1020000 19.9603 29.4922 -31.65 28.1694 -38.9023 8.22867 -29.3495 10.2855 6.01158 TIMING: 1020000 CPU: 3181.15, 0.00312629/step Wall: 3181.15, 0.00312629/step, 3.45628 hours remaining, 234.570312 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: 1020000 3968.4074 20385.8282 14456.8884 242.9134 -203233.5560 3159.8235 0.0000 0.0000 51916.5255 -109103.1697 298.3650 -161019.6952 -108745.2639 298.8097 114.9625 139.5406 763256.3698 -4.1776 -4.3101 PRESSURE: 1020200 139.768 -28.0566 0.63566 -28.057 119.009 76.1687 0.635778 76.1693 39.8047 GPRESSURE: 1020200 44.0653 -59.1255 -112.179 -55.8074 199.031 -28.2304 29.4977 30.6771 133.647 PRESSAVG: 1020200 32.0173 37.719 -30.5527 37.719 -17.2743 52.2873 -30.5527 52.2873 -5.04107 GPRESSAVG: 1020200 31.514 37.0717 -31.6823 36.6269 -16.9449 51.936 -31.5231 51.3085 -5.51507 TIMING: 1020200 CPU: 3181.78, 0.00311295/step Wall: 3181.78, 0.00311295/step, 3.44137 hours remaining, 234.570312 MB of memory in use. ENERGY: 1020200 3946.0250 20368.4853 14397.5237 237.7751 -203076.6113 2770.1323 0.0000 0.0000 52230.3832 -109126.2868 300.1687 -161356.6700 -108755.4250 298.7695 99.5272 125.5810 762034.0462 3.2339 3.0180 LDB: ============= START OF LOAD BALANCING ============== 3194.25 LDB: ============== END OF LOAD BALANCING =============== 3194.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3194.25 LDB: ============= START OF LOAD BALANCING ============== 3194.57 LDB: Largest compute 7059 load 0.031935 is 16.4% of average load 0.195106 LDB: Average compute 0.004418 is 2.3% of average load 0.195106 LDB: TIME 3194.57 LOAD: AVG 0.195106 MAX 0.215478 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.312 MB LDB: TIME 3194.57 LOAD: AVG 0.195106 MAX 0.215478 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.312 MB LDB: TIME 3194.57 LOAD: AVG 0.195106 MAX 0.215478 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.312 MB LDB: ============== END OF LOAD BALANCING =============== 3194.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3194.58 PRESSURE: 1020400 265.203 35.8399 226.358 35.8404 314.58 134.653 226.359 134.653 328.638 GPRESSURE: 1020400 371.733 135.395 165.783 -15.7324 310.77 248.917 111.745 69.5047 322.454 PRESSAVG: 1020400 38.4151 7.33385 -2.29284 7.33383 -7.41975 28.6366 -2.29282 28.6366 -24.1238 GPRESSAVG: 1020400 38.2267 5.40411 -2.16326 8.33871 -7.63926 28.2276 -4.21827 27.6958 -23.2175 TIMING: 1020400 CPU: 3182.41, 0.00318088/step Wall: 3182.41, 0.00318088/step, 3.51629 hours remaining, 235.281250 MB of memory in use. ENERGY: 1020400 3957.2606 20415.0207 14433.6916 239.3452 -202864.2687 2765.3832 0.0000 0.0000 52090.5972 -108962.9701 299.3654 -161053.5673 -108596.6126 298.7986 302.8067 334.9854 762915.4164 2.2905 2.4567 PRESSURE: 1020600 -231.722 3.59524 -315.32 3.59485 -26.9994 -63.5178 -315.321 -63.5186 40.6513 GPRESSURE: 1020600 -217.835 -47.7625 -396.471 63.6976 -0.101723 -10.5894 -153.909 -126.415 88.4789 PRESSAVG: 1020600 21.4214 24.2518 21.0982 24.2518 -62.4016 36.1285 21.0982 36.1286 -14.2762 GPRESSAVG: 1020600 21.3445 27.842 20.4702 24.3103 -61.9235 37.1141 23.5652 37.5492 -14.6601 TIMING: 1020600 CPU: 3183.03, 0.0031163/step Wall: 3183.03, 0.0031163/step, 3.44473 hours remaining, 235.281250 MB of memory in use. ENERGY: 1020600 4015.2710 20577.5552 14439.1165 255.3013 -202792.2642 2770.3578 0.0000 0.0000 52069.3883 -108665.2741 299.2435 -160734.6624 -108315.1208 299.6207 -72.6900 -43.1526 765158.4043 -18.4188 -18.4130 PRESSURE: 1020800 219.993 208.306 -38.252 208.306 164.245 51.0306 -38.252 51.0311 560.986 GPRESSURE: 1020800 214.892 158.5 -40.6053 165.925 150.342 15.0842 -128.186 79.2103 636.199 PRESSAVG: 1020800 56.2721 26.1009 5.45364 26.101 -36.0903 25.1431 5.4537 25.1431 -11.6832 GPRESSAVG: 1020800 57.2239 26.4286 5.29963 25.0474 -36.8624 24.1761 3.77849 26.8318 -12.0906 TIMING: 1020800 CPU: 3183.66, 0.00311847/step Wall: 3183.66, 0.00311847/step, 3.44695 hours remaining, 235.281250 MB of memory in use. ENERGY: 1020800 3886.4780 20421.3048 14435.8814 221.9673 -202905.4609 2834.0379 0.0000 0.0000 52381.0336 -108724.7577 301.0345 -161105.7914 -108348.0855 299.8894 315.0747 333.8109 763237.2608 2.8329 2.7570 PRESSURE: 1021000 -239.647 -62.7619 72.5732 -62.7609 -166.931 -4.71073 72.5735 -4.70989 56.6463 GPRESSURE: 1021000 -214.883 -78.2716 15.0875 58.9577 -129.368 -65.3087 138.353 -39.8768 68.7838 PRESSAVG: 1021000 56.4539 6.23125 46.0483 6.23118 -57.092 -14.2051 46.0483 -14.2051 1.97702 GPRESSAVG: 1021000 54.9519 2.4118 46.9263 7.58686 -56.2721 -14.2694 46.3403 -14.3909 2.71232 TIMING: 1021000 CPU: 3184.28, 0.0031078/step Wall: 3184.28, 0.0031078/step, 3.43498 hours remaining, 235.281250 MB of memory in use. ENERGY: 1021000 3958.5832 20475.6169 14385.2048 236.4120 -202764.3179 2715.7306 0.0000 0.0000 52018.2323 -108974.5381 298.9495 -160992.7704 -108612.3599 299.6119 -116.6441 -91.8223 765863.7515 0.4463 0.4640 PRESSURE: 1021200 -51.2984 -21.4544 253.394 -21.4538 11.0535 17.5808 253.393 17.5804 -53.4079 GPRESSURE: 1021200 11.7158 28.1146 228.46 -174.519 44.6319 71.8188 296.364 -29.4359 -92.1368 PRESSAVG: 1021200 -9.60811 28.3421 -27.5542 28.3421 33.9834 -32.0987 -27.5541 -32.0988 -7.56131 GPRESSAVG: 1021200 -10.2951 31.5866 -27.3011 28.0812 34.3762 -30.6024 -29.3138 -33.5678 -7.53181 TIMING: 1021200 CPU: 3184.91, 0.00313232/step Wall: 3184.91, 0.00313232/step, 3.46191 hours remaining, 235.281250 MB of memory in use. ENERGY: 1021200 3943.7287 20510.5223 14410.3680 259.4902 -202823.3895 2738.4086 0.0000 0.0000 51989.3863 -108971.4854 298.7837 -160960.8717 -108607.1997 299.1907 -31.2176 -11.9297 764394.5224 5.6046 5.5164 PRESSURE: 1021400 254.26 226.014 65.3229 226.014 -46.9802 131.219 65.3228 131.218 651.394 GPRESSURE: 1021400 102.778 283.893 131.132 204.513 107.121 122.922 -58.9299 193.582 715.824 PRESSAVG: 1021400 25.3171 53.1113 2.53541 53.1113 26.3596 16.1534 2.53539 16.1533 -3.05996 GPRESSAVG: 1021400 25.9607 52.2595 3.08017 53.3801 26.0763 14.9274 2.56448 15.5066 -3.38173 TIMING: 1021400 CPU: 3185.53, 0.00313765/step Wall: 3185.53, 0.00313765/step, 3.46763 hours remaining, 235.281250 MB of memory in use. ENERGY: 1021400 4027.3505 20466.5147 14434.6560 244.7420 -203428.5723 2984.7878 0.0000 0.0000 52060.9350 -109209.5863 299.1949 -161270.5213 -108847.5056 299.1755 286.2246 308.5741 762213.1148 16.2056 16.2184 PRESSURE: 1021600 20.2211 -25.2484 228.954 -25.2478 101.046 -309.87 228.955 -309.871 -91.9901 GPRESSURE: 1021600 103.224 72.0099 210.286 56.2731 100.411 -219.36 224.367 -409.546 -104.896 PRESSAVG: 1021600 57.575 46.5926 46.2064 46.5926 -56.8649 20.057 46.2065 20.057 12.1044 GPRESSAVG: 1021600 57.8245 45.919 45.1639 49.7405 -56.0929 19.43 48.0898 19.5756 11.5054 TIMING: 1021600 CPU: 3186.16, 0.00313058/step Wall: 3186.16, 0.00313058/step, 3.45964 hours remaining, 235.281250 MB of memory in use. ENERGY: 1021600 4036.8671 20608.4187 14428.5056 251.5318 -203562.4863 3055.8705 0.0000 0.0000 51855.1933 -109326.0993 298.0125 -161181.2926 -108968.2147 298.7451 9.7592 32.9128 763135.6913 4.2715 4.4123 PRESSURE: 1021800 -57.922 79.418 -76.354 79.4178 -22.4717 -56.3255 -76.3539 -56.3257 19.1168 GPRESSURE: 1021800 -12.0668 36.8175 -90.8172 162.355 21.6294 -59.2182 -65.6588 -101.06 29.0081 PRESSAVG: 1021800 -30.1824 49.4148 42.0173 49.4148 34.2786 -17.9776 42.0173 -17.9777 25.9337 GPRESSAVG: 1021800 -30.3175 49.9795 42.2644 48.3601 33.3021 -16.6932 39.7553 -15.566 26.568 TIMING: 1021800 CPU: 3186.79, 0.00313213/step Wall: 3186.79, 0.00313213/step, 3.46117 hours remaining, 235.281250 MB of memory in use. ENERGY: 1021800 3966.4497 20532.5621 14445.3814 242.6614 -203180.9274 2665.7107 0.0000 0.0000 51910.7069 -109417.4551 298.3315 -161328.1621 -109060.2412 298.4115 -20.4256 12.8569 762890.9503 10.0100 9.8509 PRESSURE: 1022000 96.9053 -6.21516 -42.8571 -6.21498 -13.8658 41.5481 -42.8566 41.5483 -130.196 GPRESSURE: 1022000 157.617 1.81384 -94.2634 68.4228 50.1658 44.1946 -37.9705 239.855 -156.31 PRESSAVG: 1022000 27.4837 21.7525 19.5651 21.7525 -34.4533 6.24638 19.5652 6.2464 22.2468 GPRESSAVG: 1022000 28.6896 22.6475 20.3418 22.1547 -35.4675 6.14906 19.0633 4.89797 22.4348 TIMING: 1022000 CPU: 3187.41, 0.00310955/step Wall: 3187.41, 0.00310955/step, 3.43605 hours remaining, 235.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1022000 3985.0704 20362.2145 14424.0298 258.6069 -202883.2242 2687.3850 0.0000 0.0000 51944.5296 -109221.3880 298.5259 -161165.9176 -108862.6667 298.6706 -15.7188 17.1576 765337.3648 5.0924 5.2189 PRESSURE: 1022200 -268.304 -197.016 -61.864 -197.017 -153.188 -33.7469 -61.8635 -33.7464 -66.7186 GPRESSURE: 1022200 -164.546 -92.7725 -164.365 -173.304 -150.286 53.4569 -2.58422 -144.875 -92.1527 PRESSAVG: 1022200 28.5312 21.9066 -41.0593 21.9066 -22.1372 -24.104 -41.0593 -24.104 -13.1749 GPRESSAVG: 1022200 28.0182 21.8196 -41.7641 20.5889 -21.477 -24.3877 -40.1108 -24.6048 -13.7936 TIMING: 1022200 CPU: 3188.03, 0.00310516/step Wall: 3188.03, 0.00310516/step, 3.43103 hours remaining, 235.281250 MB of memory in use. ENERGY: 1022200 4033.0948 20419.6536 14466.3823 241.5914 -202877.2758 2330.9028 0.0000 0.0000 52112.7861 -109272.8649 299.4929 -161385.6509 -108903.0687 298.7527 -162.7371 -135.6616 763605.2273 -2.2603 -2.4175 PRESSURE: 1022400 -104.712 67.6507 -98.7442 67.6513 -66.8659 -193.208 -98.7439 -193.208 266.217 GPRESSURE: 1022400 -55.0427 36.9548 -30.2175 -4.49862 -170.437 -213.161 48.7979 -135.486 404.285 PRESSAVG: 1022400 13.2286 2.65751 20.4569 2.6575 -11.9084 -14.9605 20.4569 -14.9606 2.44935 GPRESSAVG: 1022400 14.0893 1.54744 21.0384 2.34287 -13.3692 -15.7022 19.0821 -12.3894 2.65079 TIMING: 1022400 CPU: 3188.65, 0.00312302/step Wall: 3188.65, 0.00312302/step, 3.45059 hours remaining, 235.281250 MB of memory in use. ENERGY: 1022400 3976.4987 20575.9448 14412.0567 250.0989 -203353.7462 2974.1836 0.0000 0.0000 51875.9269 -109289.0367 298.1317 -161164.9635 -108931.3615 298.3932 31.5465 59.6019 763328.1781 1.2565 1.1237 PRESSURE: 1022600 -121.493 169.079 247.247 169.08 -51.3702 -42.4519 247.246 -42.4512 -132.305 GPRESSURE: 1022600 -72.3961 227.146 243.042 267.429 1.11774 -61.6071 297.193 -146.805 -146.733 PRESSAVG: 1022600 30.667 27.7581 -18.9244 27.758 -51.8889 -39.1434 -18.9244 -39.1435 8.98682 GPRESSAVG: 1022600 29.9403 27.5492 -19.4626 28.5675 -50.345 -38.9434 -18.1926 -39.9071 8.26953 TIMING: 1022600 CPU: 3189.28, 0.00311281/step Wall: 3189.28, 0.00311281/step, 3.43914 hours remaining, 235.281250 MB of memory in use. ENERGY: 1022600 3980.7370 20445.4992 14403.0880 227.4813 -203015.8283 2657.7223 0.0000 0.0000 52077.7525 -109223.5480 299.2916 -161301.3004 -108849.8804 298.9153 -101.7226 -72.6705 762653.2188 -4.0784 -4.0451 PRESSURE: 1022800 -182.503 -161.292 -312.416 -161.291 -19.0614 -111.646 -312.415 -111.645 35.1135 GPRESSURE: 1022800 -165.829 -182.691 -267.704 -76.6393 4.63307 -91.068 -360.134 54.4956 64.0142 PRESSAVG: 1022800 35.2319 27.8407 -50.2117 27.8406 -13.7435 -18.9426 -50.2117 -18.9426 -14.1457 GPRESSAVG: 1022800 34.6977 30.3301 -48.9011 26.1291 -14.0886 -19.1364 -50.3118 -20.5389 -13.5815 TIMING: 1022800 CPU: 3189.9, 0.00312093/step Wall: 3189.9, 0.00312093/step, 3.44793 hours remaining, 235.281250 MB of memory in use. ENERGY: 1022800 4022.1518 20455.3200 14437.5216 252.6549 -202779.1640 2468.9708 0.0000 0.0000 51962.8977 -109179.6474 298.6315 -161142.5450 -108824.3023 298.3046 -55.4835 -32.3939 764744.1206 2.4475 2.3425 PRESSURE: 1023000 -5.1194 185.82 40.6705 185.819 -216.438 -63.3455 40.6706 -63.3452 -357.953 GPRESSURE: 1023000 6.96459 271.278 -33.4361 125.498 -216.378 -103.413 27.4541 -22.3452 -294.366 PRESSAVG: 1023000 43.2013 61.2668 -12.2328 61.2669 -25.5912 -12.3016 -12.2329 -12.3016 -20.5594 GPRESSAVG: 1023000 44.535 60.3135 -11.1887 61.2574 -25.2007 -12.7016 -12.7899 -11.537 -21.2339 TIMING: 1023000 CPU: 3190.52, 0.00309841/step Wall: 3190.52, 0.00309841/step, 3.42289 hours remaining, 235.281250 MB of memory in use. ENERGY: 1023000 4001.1351 20441.4279 14422.9519 241.9425 -202778.1760 2403.5155 0.0000 0.0000 51857.6824 -109409.5207 298.0268 -161267.2031 -109044.1630 298.5301 -193.1702 -167.9263 764813.4751 -0.9831 -0.6332 PRESSURE: 1023200 251.269 -171.623 169.787 -171.624 -103.666 -168.727 169.787 -168.727 320.646 GPRESSURE: 1023200 233.331 -163.375 189.902 -76.3887 -43.0143 -163.737 26.8416 -132.109 370.726 PRESSAVG: 1023200 9.59442 33.0841 -26.8132 33.0841 -23.9737 -30.0643 -26.8133 -30.0643 20.5533 GPRESSAVG: 1023200 8.28658 33.6348 -28.5102 33.701 -23.1115 -29.0687 -25.1724 -28.213 20.9186 TIMING: 1023200 CPU: 3191.14, 0.00310168/step Wall: 3191.14, 0.00310168/step, 3.42632 hours remaining, 235.281250 MB of memory in use. ENERGY: 1023200 3986.7524 20419.5611 14415.6291 238.0146 -203278.5421 2848.0018 0.0000 0.0000 52021.6692 -109348.9139 298.9692 -161370.5831 -108987.7621 298.7194 156.0829 187.0139 763810.9300 2.0580 2.0313 PRESSURE: 1023400 -31.6411 -34.5756 -25.3407 -34.576 50.7368 99.8901 -25.3411 99.891 -170.751 GPRESSURE: 1023400 -2.60367 -115.87 -36.8479 -23.1796 78.6577 92.7422 -27.56 35.1384 -127.653 PRESSAVG: 1023400 26.6906 -39.7382 39.2469 -39.7381 -37.9878 23.4063 39.247 23.4062 -8.54982 GPRESSAVG: 1023400 27.4576 -40.0578 39.521 -39.6426 -38.2292 23.1871 39.3299 20.5071 -8.68688 TIMING: 1023400 CPU: 3191.76, 0.00310228/step Wall: 3191.76, 0.00310228/step, 3.42682 hours remaining, 235.281250 MB of memory in use. ENERGY: 1023400 3992.8757 20561.4502 14492.0365 261.1593 -203174.6912 2825.7849 0.0000 0.0000 51919.8420 -109121.5426 298.3840 -161041.3845 -108766.3416 299.3237 -50.5516 -17.1998 762998.8655 -6.6157 -6.4862 PRESSURE: 1023600 53.4536 -46.3203 -63.7498 -46.3199 49.5557 216.052 -63.7508 216.052 303.712 GPRESSURE: 1023600 113.824 -21.6162 -15.9384 14.8146 74.69 188.775 -107.941 137.212 275.706 PRESSAVG: 1023600 42.7062 3.41607 36.7546 3.41608 -49.4828 27.0892 36.7547 27.0892 12.0394 GPRESSAVG: 1023600 42.0949 2.35073 34.88 3.36268 -50.4074 28.595 37.601 29.2058 13.2136 TIMING: 1023600 CPU: 3192.38, 0.00311153/step Wall: 3192.38, 0.00311153/step, 3.43686 hours remaining, 235.281250 MB of memory in use. ENERGY: 1023600 3999.2681 20446.5651 14420.1942 247.7784 -203626.7481 2978.9430 0.0000 0.0000 52316.6655 -109217.3337 300.6646 -161533.9992 -108856.4667 299.3074 135.5739 154.7398 763850.8997 1.7543 1.6337 PRESSURE: 1023800 85.456 -17.5312 95.9662 -17.5314 -205.872 192.586 95.9671 192.586 -265.771 GPRESSURE: 1023800 144.62 -86.517 149.774 21.6662 -229.89 165.844 6.1224 135.884 -210.864 PRESSAVG: 1023800 38.0054 -7.129 32.1682 -7.12899 -25.5247 64.8168 32.1682 64.8169 2.11904 GPRESSAVG: 1023800 38.5379 -6.65168 33.8005 -6.57346 -25.2752 63.7366 31.7795 64.9318 1.62965 TIMING: 1023800 CPU: 3193.01, 0.00312072/step Wall: 3193.01, 0.00312073/step, 3.44684 hours remaining, 235.281250 MB of memory in use. ENERGY: 1023800 4018.5933 20598.5873 14436.0048 255.4348 -203070.0439 2768.4455 0.0000 0.0000 51886.8676 -109106.1107 298.1945 -160992.9783 -108739.5808 298.7781 -128.7288 -98.7113 763155.2048 4.8666 4.9641 PRESSURE: 1024000 108.64 -164.437 105.432 -164.438 -184.044 -123.848 105.431 -123.849 142.027 GPRESSURE: 1024000 43.4586 -193.402 47.5179 -129.703 -68.183 -74.6149 162.949 -190.906 186.873 PRESSAVG: 1024000 -9.02551 12.1172 7.47588 12.1173 -49.3055 21.5357 7.47587 21.5357 26.2706 GPRESSAVG: 1024000 -7.36002 13.0181 5.42976 13.1619 -49.9985 21.5968 8.4135 20.9204 24.9016 TIMING: 1024000 CPU: 3193.63, 0.00312015/step Wall: 3193.63, 0.00312015/step, 3.44603 hours remaining, 235.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1024000 4016.9138 20651.7759 14431.8799 269.8145 -203554.8854 3019.2179 0.0000 0.0000 52136.5195 -109028.7639 299.6293 -161165.2834 -108680.2433 299.4010 22.2075 54.0494 762591.5383 -10.6868 -10.8190 PRESSURE: 1024200 215.722 11.6787 -69.4061 11.6791 260.56 239.947 -69.4066 239.947 319.02 GPRESSURE: 1024200 317.719 24.1236 14.6444 -46.2229 298.025 227.327 -187.01 37.2547 267.688 PRESSAVG: 1024200 26.2177 -14.0344 29.2621 -14.0344 -14.9668 62.3494 29.262 62.3494 -15.3253 GPRESSAVG: 1024200 24.8683 -15.5644 30.2924 -15.3034 -13.9888 63.6252 26.8843 60.9729 -15.0387 TIMING: 1024200 CPU: 3194.25, 0.00311471/step Wall: 3194.25, 0.00311471/step, 3.43985 hours remaining, 235.281250 MB of memory in use. ENERGY: 1024200 3955.8470 20542.2888 14387.5442 235.1736 -203325.8846 3069.0393 0.0000 0.0000 52001.5798 -109134.4119 298.8538 -161135.9916 -108777.6618 299.2712 265.1005 294.4777 764489.3602 -1.3582 -1.3864 LDB: ============= START OF LOAD BALANCING ============== 3206.73 LDB: ============== END OF LOAD BALANCING =============== 3206.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3206.74 LDB: ============= START OF LOAD BALANCING ============== 3207.05 LDB: Largest compute 7059 load 0.031478 is 16.1% of average load 0.195062 LDB: Average compute 0.004392 is 2.3% of average load 0.195062 LDB: TIME 3207.05 LOAD: AVG 0.195062 MAX 0.213337 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.012 MB LDB: TIME 3207.05 LOAD: AVG 0.195062 MAX 0.213337 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.105 MB LDB: TIME 3207.05 LOAD: AVG 0.195062 MAX 0.213337 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.105 MB LDB: ============== END OF LOAD BALANCING =============== 3207.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3207.06 PRESSURE: 1024400 0.618871 -83.4472 80.4167 -83.4464 -105.4 -188.583 80.417 -188.584 -21.4264 GPRESSURE: 1024400 26.6283 -86.3611 96.7523 -35.5615 -124.933 -253.061 123.585 -14.7602 49.4021 PRESSAVG: 1024400 23.2399 -22.9346 7.27613 -22.9346 27.7137 -11.6611 7.27612 -11.661 -4.43091 GPRESSAVG: 1024400 23.3308 -22.798 9.04243 -21.6143 27.0795 -12.9086 6.52927 -8.53465 -4.22426 TIMING: 1024400 CPU: 3194.9, 0.0032018/step Wall: 3194.9, 0.0032018/step, 3.53585 hours remaining, 234.312500 MB of memory in use. ENERGY: 1024400 4002.3441 20365.8827 14400.5815 264.7901 -202820.2677 2569.5884 0.0000 0.0000 51923.2691 -109293.8118 298.4037 -161217.0809 -108924.5411 298.8468 -42.0691 -16.3008 764582.7585 15.5076 15.3954 PRESSURE: 1024600 -38.934 -105.104 -181.926 -105.103 -223.404 -150.766 -181.926 -150.765 -383.318 GPRESSURE: 1024600 1.97347 -70.0678 -241.216 -160.026 -137.642 -142.357 -91.0164 -137.472 -429.466 PRESSAVG: 1024600 25.9539 4.81627 -15.3266 4.81625 -43.1821 -23.017 -15.3266 -23.017 -8.11473 GPRESSAVG: 1024600 24.3244 5.30069 -17.0183 4.89359 -41.7626 -20.8629 -15.1241 -23.4934 -7.6284 TIMING: 1024600 CPU: 3195.52, 0.00312482/step Wall: 3195.52, 0.00312482/step, 3.45067 hours remaining, 234.312500 MB of memory in use. ENERGY: 1024600 4015.6178 20555.7377 14387.5465 248.9154 -203364.8536 2960.9824 0.0000 0.0000 51655.7744 -109540.2794 296.8664 -161196.0538 -109185.1433 298.3081 -215.2185 -188.3783 765001.7174 -8.4476 -8.3555 PRESSURE: 1024800 -186.558 62.7192 34.9265 62.7192 293.739 66.3608 34.9272 66.361 -104.827 GPRESSURE: 1024800 -163.628 54.0834 49.0198 59.6437 263.432 58.4946 40.7097 87.7454 -27.6828 PRESSAVG: 1024800 -24.0824 -26.951 -12.2268 -26.9509 6.14075 -14.1995 -12.2268 -14.1995 -6.45356 GPRESSAVG: 1024800 -24.4952 -27.5696 -12.1884 -27.0974 5.68479 -17.2161 -10.6937 -12.3558 -5.31979 TIMING: 1024800 CPU: 3196.15, 0.00313101/step Wall: 3196.15, 0.00313101/step, 3.45733 hours remaining, 234.312500 MB of memory in use. ENERGY: 1024800 4028.3621 20512.3516 14389.0838 244.7128 -203071.7336 2670.1318 0.0000 0.0000 51903.3622 -109323.7292 298.2893 -161227.0914 -108963.7510 298.4803 0.7849 24.0406 765111.1826 -8.1317 -8.0434 PRESSURE: 1025000 109.502 -75.9331 -58.2073 -75.9323 116.464 -94.487 -58.2073 -94.4864 -530.905 GPRESSURE: 1025000 142.723 -39.2361 5.92737 -116.385 131.66 -90.7712 -34.8953 -64.0084 -506.018 PRESSAVG: 1025000 24.5315 14.6621 -7.19217 14.6621 -26.4461 -29.6216 -7.19217 -29.6216 5.9101 GPRESSAVG: 1025000 26.2644 16.2449 -5.61376 13.7943 -27.3232 -28.2755 -7.44192 -32.5146 5.18446 TIMING: 1025000 CPU: 3196.77, 0.00311484/step Wall: 3196.77, 0.00311484/step, 3.4393 hours remaining, 234.312500 MB of memory in use. ENERGY: 1025000 3969.4275 20540.7533 14336.6544 230.3607 -202797.2428 2469.6727 0.0000 0.0000 52231.7019 -109018.6723 300.1763 -161250.3742 -108657.0089 298.3448 -101.6463 -77.2118 764090.0244 1.3318 1.3752 PRESSURE: 1025200 -390.839 -49.8377 64.6906 -49.837 -385.012 -232.521 64.6899 -232.522 -122.713 GPRESSURE: 1025200 -270.79 -15.8109 63.1396 -105.182 -368.099 -194.23 -34.4326 -180.405 -142.237 PRESSAVG: 1025200 57.583 -32.7358 -77.4493 -32.7357 -45.0711 0.493167 -77.4493 0.493242 18.3973 GPRESSAVG: 1025200 58.3097 -33.751 -77.2964 -33.7649 -44.958 2.16143 -77.495 0.941264 18.4089 TIMING: 1025200 CPU: 3197.39, 0.00310743/step Wall: 3197.39, 0.00310743/step, 3.43095 hours remaining, 234.312500 MB of memory in use. ENERGY: 1025200 3994.6453 20521.2808 14412.8280 228.2859 -202523.9685 2355.1028 0.0000 0.0000 52056.6688 -108955.1568 299.1704 -161011.8256 -108600.5147 299.3886 -299.5214 -260.3754 764900.1635 10.3030 10.5869 PRESSURE: 1025400 95.3958 -183.403 -52.6248 -183.404 -95.1223 48.4276 -52.6248 48.427 -151.41 GPRESSURE: 1025400 103.389 -211.277 29.2447 -136.325 -115.855 64.6349 -36.8883 118.219 -52.4947 PRESSAVG: 1025400 72.6948 -10.8141 -42.9778 -10.8142 -50.9427 36.9056 -42.9778 36.9057 -24.2068 GPRESSAVG: 1025400 71.8002 -9.13483 -44.3387 -10.6008 -50.5235 35.0753 -45.8499 38.898 -23.7718 TIMING: 1025400 CPU: 3198.01, 0.0031199/step Wall: 3198.01, 0.0031199/step, 3.44454 hours remaining, 234.312500 MB of memory in use. ENERGY: 1025400 3904.1965 20432.8526 14390.1193 239.0548 -202648.5073 2517.5031 0.0000 0.0000 52271.5456 -108893.2354 300.4053 -161164.7811 -108525.9371 299.8518 -50.3788 -21.6538 762105.0345 -0.8182 -0.8317 PRESSURE: 1025600 329.782 94.5428 75.3026 94.5436 200.655 -115.401 75.3031 -115.401 -221.622 GPRESSURE: 1025600 301.766 48.8208 79.1675 63.0162 275.679 -118.213 128.183 -270.931 -192.951 PRESSAVG: 1025600 6.62923 -31.4284 -25.9651 -31.4284 18.0882 -19.2677 -25.9652 -19.2677 0.87729 GPRESSAVG: 1025600 5.8605 -32.7497 -25.643 -30.7672 18.5635 -19.3971 -23.5834 -22.3241 1.07985 TIMING: 1025600 CPU: 3198.64, 0.00312217/step Wall: 3198.64, 0.00312217/step, 3.44688 hours remaining, 234.312500 MB of memory in use. ENERGY: 1025600 4024.1700 20593.1857 14478.5520 242.2138 -202970.6208 2652.9895 0.0000 0.0000 52020.8482 -108958.6616 298.9645 -160979.5098 -108603.6313 299.8623 102.9386 128.1649 762853.4297 8.5316 8.5013 PRESSURE: 1025800 105.458 -115.718 223.725 -115.718 136.286 -39.2098 223.725 -39.2104 -144.183 GPRESSURE: 1025800 145.072 -133.763 258.073 -152.393 142.93 -141.493 98.5173 66.477 -105.661 PRESSAVG: 1025800 -15.7329 22.3373 -11.2305 22.3372 -5.26993 -29.9855 -11.2305 -29.9855 12.2164 GPRESSAVG: 1025800 -14.1807 25.5459 -11.5985 21.8672 -5.77996 -28.4404 -11.4425 -28.532 11.1166 TIMING: 1025800 CPU: 3199.26, 0.00312494/step Wall: 3199.26, 0.00312494/step, 3.44976 hours remaining, 234.312500 MB of memory in use. ENERGY: 1025800 3929.5872 20396.7291 14322.4899 245.7296 -203327.6686 2981.7465 0.0000 0.0000 52333.4081 -109117.9782 300.7608 -161451.3863 -108761.7241 299.6003 32.5204 60.7802 764527.5772 -2.9288 -2.9480 PRESSURE: 1026000 -177.08 -93.5102 -149.472 -93.5108 -174.607 99.1225 -149.47 99.1221 -484.845 GPRESSURE: 1026000 -140.961 -77.1402 -227.087 -181.816 -131.381 88.6386 -177.775 214.677 -495.961 PRESSAVG: 1026000 20.0972 -7.38019 -14.2654 -7.38022 -8.57648 23.3458 -14.2653 23.3458 -18.1828 GPRESSAVG: 1026000 20.4253 -10.2345 -14.3808 -9.22173 -9.41293 23.3909 -14.7516 24.3766 -17.5363 TIMING: 1026000 CPU: 3199.89, 0.00311359/step Wall: 3199.89, 0.00311359/step, 3.43706 hours remaining, 234.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1026000 4013.3861 20554.8646 14452.5156 257.6569 -203028.9914 2659.4306 0.0000 0.0000 51971.1657 -109119.9718 298.6790 -161091.1375 -108761.6084 299.6704 -278.8439 -256.1010 764465.6266 -2.2207 -2.1746 PRESSURE: 1026200 170.479 -20.5785 -101.21 -20.5788 129.096 97.8899 -101.209 97.8892 25.0555 GPRESSURE: 1026200 178.995 -35.846 38.6691 11.251 148.212 16.5928 -89.5424 107.876 64.6998 PRESSAVG: 1026200 2.45356 -1.20926 30.087 -1.20924 26.6655 8.3954 30.087 8.39532 -5.85912 GPRESSAVG: 1026200 1.83448 -1.64367 30.586 -0.0879879 27.3261 8.21133 31.1539 5.92672 -6.25274 TIMING: 1026200 CPU: 3200.51, 0.00312477/step Wall: 3200.51, 0.00312477/step, 3.44923 hours remaining, 234.312500 MB of memory in use. ENERGY: 1026200 4038.3075 20585.7713 14393.2614 252.7925 -202829.9349 2589.7329 0.0000 0.0000 51968.0652 -109002.0042 298.6612 -160970.0693 -108648.3191 299.3470 108.2101 130.6357 764000.8712 7.7533 7.6359 PRESSURE: 1026400 -141.355 195.747 -75.2248 195.746 -466.921 16.9943 -75.2252 16.994 134.797 GPRESSURE: 1026400 -171.044 270.736 -69.4907 263.971 -333.631 -15.6586 -51.9823 -75.2679 112.022 PRESSAVG: 1026400 -0.549118 21.6424 6.84162 21.6424 45.3946 27.9091 6.84165 27.9092 8.31813 GPRESSAVG: 1026400 -0.496039 22.11 6.55642 21.5446 46.0014 26.8744 6.76633 29.9131 8.12534 TIMING: 1026400 CPU: 3201.14, 0.00313573/step Wall: 3201.14, 0.00313573/step, 3.46115 hours remaining, 234.312500 MB of memory in use. ENERGY: 1026400 3974.2418 20455.6260 14389.3013 245.4928 -202489.3416 2437.3748 0.0000 0.0000 52118.5146 -108868.7904 299.5258 -160987.3050 -108501.4234 299.6442 -157.8263 -130.8844 765060.0472 17.7212 17.8769 PRESSURE: 1026600 -96.7522 71.313 -39.2139 71.3121 74.7134 182.855 -39.2129 182.855 -148.472 GPRESSURE: 1026600 -70.0645 98.3974 47.8991 120.791 138.583 113.26 34.112 135.312 -156.293 PRESSAVG: 1026600 -14.2759 52.9389 38.6377 52.939 -7.9857 19.1861 38.6378 19.1862 -5.54639 GPRESSAVG: 1026600 -13.0927 51.842 38.1106 53.2521 -7.81174 18.8323 39.5245 17.839 -5.87967 TIMING: 1026600 CPU: 3201.76, 0.00311897/step Wall: 3201.76, 0.00311897/step, 3.44247 hours remaining, 234.312500 MB of memory in use. ENERGY: 1026600 3940.8726 20542.9080 14442.6535 247.4951 -202947.9963 2543.4271 0.0000 0.0000 52143.2932 -109087.3467 299.6682 -161230.6399 -108732.6693 299.6761 -56.8370 -29.2584 764821.7567 -9.2693 -8.9280 PRESSURE: 1026800 -37.9688 152.804 31.7354 152.804 -416.157 40.7665 31.7365 40.7665 -126.012 GPRESSURE: 1026800 29.4846 195.949 -73.7232 55.0072 -404.774 92.1661 -17.7018 -20.8907 -131.69 PRESSAVG: 1026800 -27.3961 -8.05463 9.59438 -8.05467 -16.3218 65.5641 9.59438 65.5642 -5.74652 GPRESSAVG: 1026800 -27.0772 -7.58473 10.6403 -7.51589 -17.3049 66.9381 7.21434 67.6976 -5.04748 TIMING: 1026800 CPU: 3202.39, 0.00313271/step Wall: 3202.39, 0.00313271/step, 3.45747 hours remaining, 234.312500 MB of memory in use. ENERGY: 1026800 3986.6785 20365.2995 14416.6377 257.5438 -202511.6053 2392.5611 0.0000 0.0000 51988.4882 -109104.3965 298.7786 -161092.8847 -108729.5921 299.1370 -193.3791 -168.9931 764810.6134 -16.4881 -16.4765 PRESSURE: 1027000 137.961 -92.3257 44.0043 -92.3263 -81.5606 115.908 44.0044 115.908 61.1423 GPRESSURE: 1027000 83.8385 53.4102 13.3852 -103.58 29.5511 13.2376 8.9811 166.553 72.4108 PRESSAVG: 1027000 -20.8876 9.77769 23.9356 9.77775 16.9256 -22.5076 23.9356 -22.5076 7.55465 GPRESSAVG: 1027000 -21.7277 10.558 22.3997 10.6382 18.2452 -21.6603 26.5268 -25.1682 6.7446 TIMING: 1027000 CPU: 3203.01, 0.0031271/step Wall: 3203.01, 0.0031271/step, 3.4511 hours remaining, 234.312500 MB of memory in use. ENERGY: 1027000 4103.0801 20342.0880 14410.5353 232.9458 -203193.2689 2922.1348 0.0000 0.0000 52323.4129 -108859.0719 300.7034 -161182.4848 -108494.6717 299.4171 39.1808 61.9335 764240.0760 1.1975 1.0874 PRESSURE: 1027200 117.06 41.9959 30.4209 41.9956 -128.823 50.0561 30.4211 50.0565 364.472 GPRESSURE: 1027200 166.55 14.7534 13.4104 68.3858 -166.984 75.6605 88.4474 19.4922 440.319 PRESSAVG: 1027200 -32.8707 36.7616 25.1255 36.7615 16.2796 -31.4238 25.1255 -31.4237 3.50033 GPRESSAVG: 1027200 -32.3372 37.0187 25.5853 35.7224 15.809 -33.1826 24.5105 -28.6169 3.37115 TIMING: 1027200 CPU: 3203.64, 0.00311115/step Wall: 3203.64, 0.00311115/step, 3.43332 hours remaining, 234.312500 MB of memory in use. ENERGY: 1027200 4008.0392 20455.3526 14470.9176 257.4284 -202998.2104 2778.7882 0.0000 0.0000 51907.2476 -109120.4368 298.3117 -161027.6844 -108762.6178 299.5450 117.5695 146.6282 763585.1805 -4.3636 -4.3857 PRESSURE: 1027400 -490.737 -54.9184 -118.103 -54.9185 49.9194 -97.4772 -118.103 -97.4776 59.6515 GPRESSURE: 1027400 -398.478 -55.398 0.555699 46.0316 29.0942 -81.028 -115.992 109.478 80.4308 PRESSAVG: 1027400 -7.80367 42.0341 19.7097 42.034 23.1611 26.5361 19.7097 26.536 61.1286 GPRESSAVG: 1027400 -8.29929 41.8414 20.5182 42.9833 23.1878 28.0639 21.2459 25.52 61.2871 TIMING: 1027400 CPU: 3204.26, 0.00312134/step Wall: 3204.26, 0.00312134/step, 3.4444 hours remaining, 234.312500 MB of memory in use. ENERGY: 1027400 3930.6565 20539.2533 14468.4367 245.6407 -203008.4944 2729.3458 0.0000 0.0000 51901.4005 -109193.7609 298.2781 -161095.1614 -108835.8253 299.1839 -127.0552 -96.3176 764668.6000 25.4953 25.3919 PRESSURE: 1027600 -89.6135 -35.7955 5.68927 -35.796 -185.934 -114.138 5.68976 -114.136 77.6845 GPRESSURE: 1027600 -84.7225 -72.9376 -44.5759 -82.807 -88.2642 -229.314 139.11 -186.301 54.8398 PRESSAVG: 1027600 66.4282 -23.8761 -38.8363 -23.8761 -74.2356 87.3256 -38.8362 87.3257 -7.22206 GPRESSAVG: 1027600 66.5408 -23.1655 -40.744 -25.0431 -74.1201 86.5792 -39.7789 86.3735 -7.78459 TIMING: 1027600 CPU: 3204.89, 0.00311964/step Wall: 3204.89, 0.00311964/step, 3.44235 hours remaining, 234.312500 MB of memory in use. ENERGY: 1027600 3983.3012 20601.5613 14493.4069 246.3259 -203071.6138 2594.8896 0.0000 0.0000 52068.3192 -109083.8097 299.2373 -161152.1289 -108724.4675 298.6334 -65.9542 -39.3823 763023.8182 -5.0098 -5.1213 PRESSURE: 1027800 442.613 51.4968 -143.435 51.4969 130.985 -55.9831 -143.435 -55.9839 46.2222 GPRESSURE: 1027800 396.52 3.13823 -305.334 76.7708 210.206 -5.97017 8.83658 -33.7171 99.0135 PRESSAVG: 1027800 14.2987 -2.83166 40.2654 -2.83166 15.9549 -11.1461 40.2654 -11.1462 2.58666 GPRESSAVG: 1027800 13.7663 -2.35144 40.4397 -3.12864 15.7834 -9.67686 40.3043 -9.58591 2.75187 TIMING: 1027800 CPU: 3205.51, 0.00312171/step Wall: 3205.51, 0.00312171/step, 3.44446 hours remaining, 234.312500 MB of memory in use. ENERGY: 1027800 4017.0164 20450.5540 14419.6606 258.0381 -203730.1013 3134.9080 0.0000 0.0000 52145.6716 -109304.2528 299.6819 -161449.9244 -108938.2163 299.1662 206.6067 235.2464 760956.9191 10.9467 10.7672 PRESSURE: 1028000 85.4317 -8.98824 -132.817 -8.98802 -139.216 -59.9725 -132.818 -59.9725 -101.715 GPRESSURE: 1028000 64.8805 -79.1094 -96.171 -81.2734 -14.2174 -57.6715 -195.625 -114.327 -127.649 PRESSAVG: 1028000 21.2884 20.3376 4.46834 20.3376 29.0693 -17.2994 4.46833 -17.2995 1.30882 GPRESSAVG: 1028000 21.2791 19.4261 4.49245 20.9811 28.917 -18.3216 4.00072 -18.0788 1.12117 TIMING: 1028000 CPU: 3206.13, 0.00309707/step Wall: 3206.13, 0.00309707/step, 3.4171 hours remaining, 234.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1028000 4095.4545 20328.6537 14480.8244 259.4225 -203775.9505 3147.2299 0.0000 0.0000 52120.3997 -109343.9657 299.5367 -161464.3655 -108987.3685 298.9579 -51.8332 -25.6619 761351.7452 17.2222 17.1058 PRESSURE: 1028200 89.3883 140.714 -50.4085 140.713 -68.4992 83.0444 -50.4082 83.0452 167.074 GPRESSURE: 1028200 137.494 170.836 58.9612 89.0015 4.32981 98.6351 -168.263 189.029 143.011 PRESSAVG: 1028200 -49.5206 63.3027 14.5619 63.3027 61.8065 26.9653 14.5619 26.9652 19.6017 GPRESSAVG: 1028200 -49.1564 65.2263 16.2151 62.4451 62.1411 27.5581 12.6757 27.0807 19.3563 TIMING: 1028200 CPU: 3206.75, 0.00311403/step Wall: 3206.75, 0.00311403/step, 3.43564 hours remaining, 234.312500 MB of memory in use. ENERGY: 1028200 3930.3968 20519.1089 14384.9340 254.8614 -203599.9979 3061.0746 0.0000 0.0000 52025.5588 -109424.0633 298.9916 -161449.6221 -109062.2290 298.8439 62.6543 94.9449 761949.8511 10.6292 10.7803 LDB: ============= START OF LOAD BALANCING ============== 3219.23 LDB: ============== END OF LOAD BALANCING =============== 3219.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3219.23 LDB: ============= START OF LOAD BALANCING ============== 3219.55 LDB: Largest compute 6972 load 0.031552 is 16.2% of average load 0.195060 LDB: Average compute 0.004370 is 2.2% of average load 0.195060 LDB: TIME 3219.55 LOAD: AVG 0.19506 MAX 0.212031 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.023 MB LDB: TIME 3219.55 LOAD: AVG 0.19506 MAX 0.212031 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.223 MB LDB: TIME 3219.55 LOAD: AVG 0.19506 MAX 0.212031 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.223 MB LDB: ============== END OF LOAD BALANCING =============== 3219.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3219.56 PRESSURE: 1028400 -174.924 22.7261 48.9815 22.7258 -321.452 47.5831 48.9815 47.5841 7.80213 GPRESSURE: 1028400 -56.9694 -45.2318 30.5852 9.19781 -351.764 -39.2711 44.731 106.958 0.771328 PRESSAVG: 1028400 -23.6868 19.1622 4.3988 19.1623 21.9339 -10.642 4.39887 -10.642 16.2265 GPRESSAVG: 1028400 -23.5403 19.1259 4.42753 19.5933 21.637 -11.8737 4.0003 -9.07607 16.7434 TIMING: 1028400 CPU: 3207.39, 0.00320229/step Wall: 3207.39, 0.00320229/step, 3.53283 hours remaining, 233.800781 MB of memory in use. ENERGY: 1028400 3977.2832 20521.0077 14402.3358 253.2739 -203410.9000 2804.4338 0.0000 0.0000 51895.3630 -109557.2027 298.2434 -161452.5657 -109192.0754 298.5885 -162.8580 -135.9872 763294.8643 4.8246 4.9467 PRESSURE: 1028600 -134.464 146.214 208.657 146.213 145.975 -62.5132 208.657 -62.5137 -119.244 GPRESSURE: 1028600 -130.09 102.494 300.455 32.5464 108.21 -16.5495 34.0442 -205.88 -16.0608 PRESSAVG: 1028600 6.84964 51.5213 -20.3316 51.5213 4.76527 52.5847 -20.3317 52.5846 -8.84287 GPRESSAVG: 1028600 7.01093 49.8154 -17.5278 52.949 4.64481 53.819 -18.6855 51.8895 -8.72627 TIMING: 1028600 CPU: 3208.02, 0.00312003/step Wall: 3208.02, 0.00312003/step, 3.44191 hours remaining, 233.800781 MB of memory in use. ENERGY: 1028600 3894.9488 20513.7430 14498.4691 254.2370 -203247.0847 2706.2591 0.0000 0.0000 51866.8890 -109512.5387 298.0797 -161379.4277 -109159.9724 297.9857 -35.9113 -12.6469 762249.6427 0.9240 0.9765 PRESSURE: 1028800 43.679 -133.914 -251.999 -133.914 -96.196 -70.586 -251.999 -70.5856 150.575 GPRESSURE: 1028800 169.135 -102.028 -250.33 -24.3971 -156.793 -71.5299 -227.629 77.6003 167.049 PRESSAVG: 1028800 19.2372 24.3033 6.58677 24.3033 -41.0417 23.2001 6.58681 23.2002 18.3609 GPRESSAVG: 1028800 19.8078 26.1509 3.46983 22.9091 -40.797 23.1031 6.14268 22.6234 17.8433 TIMING: 1028800 CPU: 3208.64, 0.00312348/step Wall: 3208.64, 0.00312348/step, 3.44554 hours remaining, 233.800781 MB of memory in use. ENERGY: 1028800 3966.5927 20344.3229 14383.2020 253.1244 -202983.9095 2774.2243 0.0000 0.0000 51686.4699 -109575.9733 297.0429 -161262.4432 -109228.1321 298.5240 32.6859 59.7970 762984.6046 -1.1479 -1.0486 PRESSURE: 1029000 108.579 148.048 9.38282 148.048 -26.366 49.8254 9.38341 49.8268 -8.2617 GPRESSURE: 1029000 149.988 172.449 60.8798 111.545 36.2489 48.3847 -22.7864 91.623 -36.2229 PRESSAVG: 1029000 -16.4651 -13.2997 60.7838 -13.2997 -5.64014 16.6937 60.7837 16.6938 -12.6303 GPRESSAVG: 1029000 -16.1149 -15.3565 60.9183 -11.6329 -5.88456 16.2131 63.1792 17.0463 -12.8333 TIMING: 1029000 CPU: 3209.27, 0.00312919/step Wall: 3209.27, 0.00312919/step, 3.45167 hours remaining, 233.800781 MB of memory in use. ENERGY: 1029000 3947.2397 20505.9829 14415.2139 252.2300 -203285.0239 2915.6780 0.0000 0.0000 51699.9984 -109548.6811 297.1206 -161248.6795 -109188.6544 297.8059 24.6505 50.0047 762569.2338 -11.5785 -11.6109 PRESSURE: 1029200 235.011 -55.8698 31.3276 -55.8696 -67.4655 -45.4574 31.3269 -45.4569 177.868 GPRESSURE: 1029200 238.747 -45.8895 27.9681 -66.9902 -5.58851 -43.8315 -118.762 -40.0835 189 PRESSAVG: 1029200 2.66007 17.4077 20.0198 17.4077 -8.32416 -24.4998 20.0197 -24.4998 -0.336272 GPRESSAVG: 1029200 2.24037 19.4228 20.708 15.5831 -7.83426 -24.1388 18.4416 -25.8444 -0.857415 TIMING: 1029200 CPU: 3209.89, 0.00311807/step Wall: 3209.89, 0.00311807/step, 3.43923 hours remaining, 233.800781 MB of memory in use. ENERGY: 1029200 3972.8534 20521.0257 14463.5176 233.3130 -203398.5197 2861.6344 0.0000 0.0000 51857.9962 -109488.1792 298.0286 -161346.1755 -109126.0642 298.3075 115.1379 140.7194 761429.9528 -2.0001 -2.1504 PRESSURE: 1029400 -377.491 64.419 -10.5949 64.4193 -200.18 -157.905 -10.595 -157.906 -239.622 GPRESSURE: 1029400 -394.486 -21.3174 26.7051 17.4437 -164.127 -76.6335 60.391 -127.799 -181.637 PRESSAVG: 1029400 11.4247 35.0779 7.94707 35.0779 20.1183 -17.0696 7.94701 -17.0696 3.64752 GPRESSAVG: 1029400 10.1262 34.8577 6.27489 36.0092 19.6504 -16.1013 7.47078 -14.6525 4.68476 TIMING: 1029400 CPU: 3210.52, 0.00313206/step Wall: 3210.52, 0.00313206/step, 3.45449 hours remaining, 233.800781 MB of memory in use. ENERGY: 1029400 4033.3524 20592.6457 14485.6217 257.2670 -203314.3510 2729.0618 0.0000 0.0000 51878.0693 -109338.3330 298.1440 -161216.4024 -108975.9845 298.7314 -272.4307 -246.7500 762740.7709 11.7302 11.4871 PRESSURE: 1029600 -129.952 32.9044 142.222 32.9038 6.57663 113.98 142.223 113.979 -172.148 GPRESSURE: 1029600 -51.9399 -64.7316 193.129 53.487 -17.7698 96.1403 151.939 -19.371 -145.096 PRESSAVG: 1029600 30.2537 13.2763 7.50323 13.2763 -1.93131 36.953 7.50318 36.9529 18.3254 GPRESSAVG: 1029600 32.3889 12.0756 8.34203 13.3392 -2.75507 35.6983 7.59983 34.396 16.8856 TIMING: 1029600 CPU: 3211.14, 0.00313781/step Wall: 3211.14, 0.00313781/step, 3.46066 hours remaining, 233.800781 MB of memory in use. ENERGY: 1029600 3920.7330 20466.5651 14468.5821 241.2641 -203399.3251 2798.5629 0.0000 0.0000 52043.8980 -109459.7200 299.0970 -161503.6179 -109093.3307 298.7097 -98.5077 -71.6019 763119.3798 15.5493 15.5065 PRESSURE: 1029800 -164.31 -160.948 -154.838 -160.946 -39.2946 180.832 -154.84 180.832 -63.0668 GPRESSURE: 1029800 -94.2965 -155.738 -237.582 -22.7136 48.9192 212.976 -157.625 147.699 -134.809 PRESSAVG: 1029800 -1.05267 0.290742 -25.4893 0.290731 -4.64181 50.2389 -25.4893 50.2388 -8.68103 GPRESSAVG: 1029800 -1.43707 0.724052 -26.7297 1.35326 -3.89377 51.3802 -25.5781 50.5978 -9.03516 TIMING: 1029800 CPU: 3211.77, 0.00311681/step Wall: 3211.77, 0.00311681/step, 3.43733 hours remaining, 233.800781 MB of memory in use. ENERGY: 1029800 3945.1587 20326.0653 14441.4694 236.5687 -203550.8693 2989.3595 0.0000 0.0000 52032.6676 -109579.5800 299.0325 -161612.2476 -109206.4950 298.2644 -88.8904 -60.0620 762084.6150 -4.7918 -4.7887 PRESSURE: 1030000 42.1852 69.5238 -185.684 69.5237 -348.926 208.539 -185.685 208.538 -31.1356 GPRESSURE: 1030000 59.8931 55.1191 -195.557 -18.8298 -285.958 169.972 -155.507 152.36 -15.3904 PRESSAVG: 1030000 5.01624 -17.2126 -51.322 -17.2126 3.9278 66.1371 -51.322 66.1371 -24.0443 GPRESSAVG: 1030000 4.92062 -15.8748 -50.9552 -18.7689 3.97032 64.3991 -50.2805 65.8472 -23.6885 TIMING: 1030000 CPU: 3212.39, 0.00311809/step Wall: 3212.39, 0.00311809/step, 3.43856 hours remaining, 233.800781 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: 1030000 4016.7382 20370.1310 14408.8365 238.5489 -203739.6768 3181.1556 0.0000 0.0000 52073.0977 -109451.1689 299.2648 -161524.2666 -109091.5167 298.0700 -112.6254 -80.4851 762660.7440 -5.0334 -4.9325 PRESSURE: 1030200 209.316 197.118 -51.9445 197.119 124.744 -100.382 -51.9454 -100.382 363.29 GPRESSURE: 1030200 251.346 165.675 -146.842 75.341 169.901 -68.2146 -36.5383 -50.7767 341.376 PRESSAVG: 1030200 50.3046 -51.3771 -3.34573 -51.3771 -25.34 38.377 -3.34579 38.377 -6.48747 GPRESSAVG: 1030200 49.9907 -52.9125 -1.93272 -49.453 -25.1874 40.6443 -4.63043 38.5252 -6.12096 TIMING: 1030200 CPU: 3213.01, 0.00310456/step Wall: 3213.01, 0.00310456/step, 3.42347 hours remaining, 233.800781 MB of memory in use. ENERGY: 1030200 3938.5820 20439.7282 14493.3405 245.3488 -203926.4720 3114.4378 0.0000 0.0000 52101.2788 -109593.7558 299.4268 -161695.0346 -109237.9078 299.0449 232.4498 254.2078 760640.1633 6.1591 6.2274 PRESSURE: 1030400 178.828 -29.6378 -184.178 -29.637 306.378 23.6798 -184.178 23.6817 83.0963 GPRESSURE: 1030400 186.188 -17.8698 -71.9378 44.4948 317.09 21.2014 -196.563 41.7803 137.132 PRESSAVG: 1030400 3.08312 -13.134 13.4357 -13.1339 18.4809 50.3326 13.4357 50.3326 37.6393 GPRESSAVG: 1030400 2.78009 -12.0106 12.0835 -13.57 18.0416 48.2583 13.8165 50.6876 38.194 TIMING: 1030400 CPU: 3213.63, 0.00311134/step Wall: 3213.63, 0.00311134/step, 3.43077 hours remaining, 233.800781 MB of memory in use. ENERGY: 1030400 3959.2366 20452.1058 14415.0670 228.3340 -203867.3127 3236.6148 0.0000 0.0000 51960.1942 -109615.7604 298.6160 -161575.9546 -109249.8908 298.6110 189.4339 213.4702 761510.0378 19.7344 19.6719 PRESSURE: 1030600 -258.471 -101.256 22.961 -101.256 -181.269 -89.9959 22.9607 -89.9948 178.18 GPRESSURE: 1030600 -210.268 -101.942 8.15303 4.15056 -128.034 -6.0554 113.916 -216.709 172.156 PRESSAVG: 1030600 -31.8517 -1.15285 42.2293 -1.15288 -22.3189 38.5499 42.2293 38.5499 -6.40918 GPRESSAVG: 1030600 -32.0601 -3.70904 42.2984 -1.34492 -21.7869 39.9393 43.438 38.6694 -6.13763 TIMING: 1030600 CPU: 3214.26, 0.00310302/step Wall: 3214.26, 0.00310302/step, 3.42143 hours remaining, 233.800781 MB of memory in use. ENERGY: 1030600 3996.9757 20339.4327 14444.7349 238.2310 -203257.2351 2661.4902 0.0000 0.0000 52051.6293 -109524.7413 299.1414 -161576.3707 -109158.8508 298.3287 -87.1865 -55.3816 762545.7669 -20.1932 -19.9949 PRESSURE: 1030800 -268.13 -6.57348 7.8071 -6.57294 -164.316 -9.94084 7.80722 -9.94002 -8.16053 GPRESSURE: 1030800 -237.506 -78.0222 70.8365 -0.36646 -135.541 -41.9402 -131.898 -0.72879 19.1884 PRESSAVG: 1030800 -74.3978 -18.6061 7.37067 -18.606 30.0093 36.3073 7.37077 36.3073 8.61347 GPRESSAVG: 1030800 -73.3189 -13.6815 6.81075 -22.8493 28.3276 35.122 6.48708 37.1772 8.61584 TIMING: 1030800 CPU: 3214.88, 0.00312682/step Wall: 3214.88, 0.00312682/step, 3.44749 hours remaining, 233.800781 MB of memory in use. ENERGY: 1030800 3908.5429 20446.9599 14511.7249 234.2985 -203388.5602 2843.7165 0.0000 0.0000 51959.4048 -109483.9125 298.6114 -161443.3174 -109119.8626 298.3766 -146.8687 -117.9530 763108.6403 -11.9250 -12.1251 PRESSURE: 1031000 144.961 -85.8581 15.6812 -85.8583 426.827 13.8992 15.6805 13.8994 -63.7923 GPRESSURE: 1031000 138.525 -141.351 25.5616 -114.843 400.004 3.6613 -15.4953 63.869 37.6271 PRESSAVG: 1031000 -25.107 -31.0565 2.24123 -31.0565 40.6187 34.1376 2.24134 34.1377 9.98639 GPRESSAVG: 1031000 -26.9487 -34.5684 1.71034 -26.9162 42.1395 34.4287 1.39343 32.2679 10.3053 TIMING: 1031000 CPU: 3215.5, 0.00311908/step Wall: 3215.5, 0.00311908/step, 3.43879 hours remaining, 233.800781 MB of memory in use. ENERGY: 1031000 4001.9848 20604.3064 14480.2104 239.8937 -203145.3797 2749.3691 0.0000 0.0000 51901.6686 -109167.9468 298.2796 -161069.6154 -108811.9782 299.2837 169.3318 192.0521 761289.8665 8.4994 8.4987 PRESSURE: 1031200 68.4915 116.135 14.3106 116.134 461.97 81.6776 14.3103 81.6785 -108.936 GPRESSURE: 1031200 71.9275 105.89 57.7259 -13.8022 531.604 91.2162 60.5131 99.1055 -102.245 PRESSAVG: 1031200 -27.5499 -71.2877 -25.9026 -71.2877 47.3264 26.56 -25.9026 26.56 -4.75781 GPRESSAVG: 1031200 -26.7005 -69.9824 -25.4176 -71.0976 46.8093 28.2224 -24.0694 26.8737 -5.50511 TIMING: 1031200 CPU: 3216.13, 0.00311652/step Wall: 3216.13, 0.00311652/step, 3.43579 hours remaining, 233.800781 MB of memory in use. ENERGY: 1031200 3964.7744 20543.7561 14488.7422 253.7300 -203193.9896 2751.9565 0.0000 0.0000 52105.3603 -109085.6701 299.4502 -161191.0304 -108723.3207 299.3395 140.5085 167.0957 760380.7327 5.0062 4.8679 PRESSURE: 1031400 -188.071 -33.2887 -125.618 -33.2889 -155.262 73.1071 -125.618 73.1065 -332.483 GPRESSURE: 1031400 -155.539 -32.3072 -118.607 -121.209 -117.503 90.1234 -144.178 36.1135 -317.541 PRESSAVG: 1031400 -1.63986 -50.2586 -43.6314 -50.2587 26.8339 40.064 -43.6314 40.064 -2.51834 GPRESSAVG: 1031400 -1.46144 -52.4867 -42.7246 -52.0262 26.581 39.7704 -45.4059 40.5771 -2.25274 TIMING: 1031400 CPU: 3216.75, 0.0031019/step Wall: 3216.75, 0.0031019/step, 3.4195 hours remaining, 233.800781 MB of memory in use. ENERGY: 1031400 3981.3930 20586.1401 14418.5663 242.8285 -203140.1299 2682.7863 0.0000 0.0000 52331.7952 -108896.6206 300.7515 -161228.4157 -108538.5457 299.6751 -225.2720 -196.8610 762466.5497 7.5586 7.6223 PRESSURE: 1031600 -172.514 82.2078 182.95 82.2084 -99.8042 6.96404 182.951 6.9644 -140.431 GPRESSURE: 1031600 -142.187 2.86652 121.359 35.3367 -61.1119 -13.8708 300.946 -25.8932 -128.954 PRESSAVG: 1031600 54.2449 -49.7655 -4.05554 -49.7655 -63.5452 42.8042 -4.05551 42.8043 -13.1589 GPRESSAVG: 1031600 55.077 -50.4119 -4.63224 -47.9124 -64.5155 41.3071 -4.14243 43.8061 -13.5194 TIMING: 1031600 CPU: 3217.37, 0.00310971/step Wall: 3217.37, 0.00310971/step, 3.42794 hours remaining, 233.800781 MB of memory in use. ENERGY: 1031600 3995.9856 20601.5276 14475.2845 235.8511 -202879.3181 2524.5369 0.0000 0.0000 52289.7669 -108756.3655 300.5100 -161046.1324 -108383.9367 300.1727 -137.5833 -110.7511 763063.5185 -7.4864 -7.6526 PRESSURE: 1031800 -200.271 44.2672 68.1041 44.2672 -43.4922 -12.1112 68.1045 -12.1104 90.9277 GPRESSURE: 1031800 -101.356 3.72918 144.29 47.9595 -80.8514 -72.4496 32.4428 -65.3879 109.019 PRESSAVG: 1031800 34.9242 -2.32907 25.0271 -2.32903 -29.7154 -31.4176 25.0272 -31.4176 -0.835855 GPRESSAVG: 1031800 34.7879 -2.88897 24.6954 -1.77654 -29.6923 -31.0331 27.7441 -30.6233 -0.949659 TIMING: 1031800 CPU: 3217.99, 0.00311382/step Wall: 3217.99, 0.00311382/step, 3.4323 hours remaining, 233.800781 MB of memory in use. ENERGY: 1031800 4096.1380 20631.2922 14415.7372 231.5882 -203334.9583 2779.5277 0.0000 0.0000 52082.7308 -109097.9442 299.3202 -161180.6751 -108732.2759 300.0751 -50.9453 -24.3963 761941.4899 1.4576 1.3820 PRESSURE: 1032000 57.4725 26.646 -156.927 26.6473 33.8527 -49.2333 -156.927 -49.2331 -192.232 GPRESSURE: 1032000 108.895 -22.801 -67.7745 1.53075 43.646 43.0648 -173.55 -121.517 -154.209 PRESSAVG: 1032000 20.1549 24.1283 10.3677 24.1283 -27.945 40.6692 10.3677 40.6692 -30.3776 GPRESSAVG: 1032000 20.1402 23.9244 10.6588 24.2002 -27.7414 41.5167 7.94502 39.8453 -30.0254 TIMING: 1032000 CPU: 3218.61, 0.00310621/step Wall: 3218.61, 0.00310621/step, 3.42373 hours remaining, 233.800781 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: 1032000 4023.6408 20421.4859 14437.5989 266.0344 -203212.9033 2746.3896 0.0000 0.0000 52011.2377 -109306.5160 298.9093 -161317.7537 -108942.2918 299.0657 -33.6357 -0.5558 763279.1710 -12.7226 -12.5422 PRESSURE: 1032200 127.864 -67.8397 68.2023 -67.8396 154.249 253.218 68.2019 253.221 181.024 GPRESSURE: 1032200 159.289 -36.6027 -9.51046 -42.4902 151.41 258.026 107.958 113.967 218.273 PRESSAVG: 1032200 78.3742 0.102169 -26.9389 0.102159 -91.6182 36.2706 -26.9389 36.2706 -26.5302 GPRESSAVG: 1032200 78.5846 0.954912 -26.3548 -0.221727 -91.0203 37.1722 -29.1104 33.6287 -27.6043 TIMING: 1032200 CPU: 3219.24, 0.00313024/step Wall: 3219.24, 0.00313025/step, 3.45005 hours remaining, 233.800781 MB of memory in use. ENERGY: 1032200 3921.9958 20431.0589 14459.9072 247.4363 -203367.5011 2923.1156 0.0000 0.0000 52054.2909 -109329.6964 299.1567 -161383.9873 -108966.2488 298.4953 154.3791 176.3239 761616.1673 -13.2580 -13.3467 LDB: ============= START OF LOAD BALANCING ============== 3231.72 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3231.72 LDB: =============== DONE WITH MIGRATION ================ 3231.72 LDB: ============= START OF LOAD BALANCING ============== 3232.03 LDB: Largest compute 6972 load 0.031809 is 16.3% of average load 0.194999 LDB: Average compute 0.004389 is 2.3% of average load 0.194999 LDB: TIME 3232.04 LOAD: AVG 0.194999 MAX 0.219048 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 3232.04 LOAD: AVG 0.194999 MAX 0.219048 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: TIME 3232.04 LOAD: AVG 0.194999 MAX 0.216735 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: ============== END OF LOAD BALANCING =============== 3232.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3232.04 PRESSURE: 1032400 -43.0461 -266.557 89.5782 -266.557 -49.0551 -52.2861 89.5787 -52.2856 -34.6487 GPRESSURE: 1032400 -114.06 -262.887 148.164 -175.427 -3.37744 79.6146 109.413 -20.6138 76.8399 PRESSAVG: 1032400 63.7624 -16.66 -32.5573 -16.66 -58.7768 16.4043 -32.5573 16.4044 18.5619 GPRESSAVG: 1032400 62.9362 -14.4239 -33.1538 -17.3954 -58.0761 16.9135 -29.6773 20.1044 18.8922 TIMING: 1032400 CPU: 3219.88, 0.00318417/step Wall: 3219.88, 0.00318417/step, 3.50931 hours remaining, 235.023438 MB of memory in use. ENERGY: 1032400 4074.9769 20385.4432 14461.3590 236.2739 -203465.4347 2909.0613 0.0000 0.0000 52039.8889 -109358.4315 299.0740 -161398.3204 -108998.2298 298.6324 -42.2500 -13.5324 762196.3353 7.8492 7.9175 PRESSURE: 1032600 5.73224 53.5683 162.467 53.5684 55.9823 -281.477 162.467 -281.477 -69.0313 GPRESSURE: 1032600 16.1343 102.332 215.753 49.1076 25.1149 -146.262 184.885 -267.217 25.3262 PRESSAVG: 1032600 26.8077 -14.7692 -11.0374 -14.7692 -78.0521 19.2109 -11.0373 19.2109 8.44624 GPRESSAVG: 1032600 27.0159 -15.7522 -12.1121 -12.5615 -79.2461 17.1481 -10.7621 18.4377 8.87869 TIMING: 1032600 CPU: 3220.5, 0.0031288/step Wall: 3220.5, 0.0031288/step, 3.44812 hours remaining, 235.023438 MB of memory in use. ENERGY: 1032600 4027.0451 20326.4322 14424.0695 247.8369 -203291.8257 2754.7212 0.0000 0.0000 52299.7911 -109211.9296 300.5676 -161511.7207 -108835.1045 298.7399 -2.4389 22.1918 762840.8961 -14.2661 -14.4505 PRESSURE: 1032800 2.75604 -206.205 -182.928 -206.205 -367.99 117.216 -182.929 117.218 -66.1913 GPRESSURE: 1032800 73.4908 -226.158 -233.821 -84.226 -356.166 90.2651 -101.518 42.4884 -62.741 PRESSAVG: 1032800 23.9387 14.1668 38.4013 14.1668 -21.3897 -3.52408 38.4013 -3.52409 -14.535 GPRESSAVG: 1032800 24.7382 13.7257 40.2656 12.578 -22.3422 -3.57397 36.1066 -4.95929 -14.5494 TIMING: 1032800 CPU: 3221.13, 0.00312991/step Wall: 3221.13, 0.00312991/step, 3.44916 hours remaining, 235.023438 MB of memory in use. ENERGY: 1032800 4020.1220 20566.7687 14415.1013 251.7310 -203231.2587 2382.1018 0.0000 0.0000 52198.5326 -109396.9013 299.9857 -161595.4339 -109035.1111 299.6537 -143.8085 -115.1386 761452.1668 -3.9953 -4.0511 PRESSURE: 1033000 53.1825 117.317 200.603 117.316 -37.2112 -51.4104 200.604 -51.4099 50.949 GPRESSURE: 1033000 62.9775 -35.9662 165.351 90.0768 69.4827 -127.193 147.95 -86.4461 8.56118 PRESSAVG: 1033000 52.9235 -67.8138 -48.8123 -67.8138 -55.1991 -24.4643 -48.8123 -24.4643 -14.6626 GPRESSAVG: 1033000 51.7421 -68.5902 -48.7514 -68.9428 -54.0253 -24.234 -45.9163 -22.5664 -14.0408 TIMING: 1033000 CPU: 3221.75, 0.00311215/step Wall: 3221.75, 0.00311215/step, 3.42941 hours remaining, 235.023438 MB of memory in use. ENERGY: 1033000 3959.7042 20509.2926 14403.4574 243.6372 -202991.2209 2559.6204 0.0000 0.0000 51975.2281 -109340.2811 298.7024 -161315.5092 -108978.1050 298.9559 22.3067 47.0071 761703.0315 -5.6461 -5.4413 PRESSURE: 1033200 80.4058 -88.0846 162.701 -88.0848 -284.499 85.2574 162.701 85.2574 2.98038 GPRESSURE: 1033200 158.467 -0.316501 242.528 -123.134 -263.888 40.1654 149.051 110.464 -13.1209 PRESSAVG: 1033200 104.404 -26.9698 5.44897 -26.9698 -94.3842 10.1466 5.44901 10.1466 13.5466 GPRESSAVG: 1033200 104.797 -25.8456 4.01909 -26.2358 -94.9842 10.3176 4.6483 8.76029 14.2407 TIMING: 1033200 CPU: 3222.38, 0.00312557/step Wall: 3222.38, 0.00312557/step, 3.44403 hours remaining, 235.023438 MB of memory in use. ENERGY: 1033200 4071.9421 20535.9159 14358.1669 245.9452 -203310.8137 2943.3071 0.0000 0.0000 51746.9449 -109408.5915 297.3904 -161155.5364 -109043.8606 298.4208 -67.0378 -39.5141 763529.8800 7.8555 8.0179 PRESSURE: 1033400 68.2683 -53.7771 152.237 -53.7775 27.9981 38.1191 152.237 38.119 265.157 GPRESSURE: 1033400 199.715 -28.7195 124.737 104.044 -29.6632 33.0751 114.316 -25.2796 251.722 PRESSAVG: 1033400 67.042 -31.0922 3.81109 -31.0922 -66.3005 11.3294 3.81117 11.3295 -10.5562 GPRESSAVG: 1033400 68.1456 -33.8761 4.2438 -31.6716 -66.1123 11.5263 3.60431 12.4784 -12.0004 TIMING: 1033400 CPU: 3223, 0.00310786/step Wall: 3223, 0.00310786/step, 3.42435 hours remaining, 235.023438 MB of memory in use. ENERGY: 1033400 3914.3050 20553.0763 14353.6998 250.4879 -203274.0077 2706.8736 0.0000 0.0000 51934.9370 -109560.6282 298.4708 -161495.5651 -109201.9403 298.1921 120.4744 140.5913 761632.0547 -3.2716 -3.3224 PRESSURE: 1033600 117.1 -185.95 -201.083 -185.95 -47.2478 -17.5173 -201.083 -17.5175 -9.81128 GPRESSURE: 1033600 149.538 -100.145 -159.432 -177.792 -43.0763 -23.3936 -297.122 -13.0451 33.9222 PRESSAVG: 1033600 62.3167 -44.2913 15.8386 -44.2912 -51.0513 26.1172 15.8385 26.1173 3.82301 GPRESSAVG: 1033600 63.5805 -42.3294 15.6109 -44.0294 -51.6907 26.0607 14.5718 25.1256 2.94625 TIMING: 1033600 CPU: 3223.62, 0.00311374/step Wall: 3223.62, 0.00311374/step, 3.43065 hours remaining, 235.023438 MB of memory in use. ENERGY: 1033600 4002.1919 20491.0102 14362.9085 245.8089 -203206.5808 2725.5768 0.0000 0.0000 51784.1168 -109594.9677 297.6040 -161379.0845 -109232.8572 298.2968 20.0138 46.7946 762947.2606 5.0295 4.9454 PRESSURE: 1033800 79.4182 -330.246 145.475 -330.246 71.1266 166.766 145.475 166.765 -156.705 GPRESSURE: 1033800 6.70974 -378.321 40.7058 -227.395 165.819 301.574 105.609 170.531 -104.562 PRESSAVG: 1033800 21.6956 -22.3883 7.1084 -22.3883 -10.2674 18.7348 7.10843 18.7348 5.03146 GPRESSAVG: 1033800 18.603 -24.6047 8.01804 -22.0174 -9.32984 21.3905 8.77821 16.6014 7.04061 TIMING: 1033800 CPU: 3224.24, 0.00310812/step Wall: 3224.24, 0.00310812/step, 3.42428 hours remaining, 235.023438 MB of memory in use. ENERGY: 1033800 4002.2251 20499.1860 14408.6590 245.1861 -203399.9511 2942.2492 0.0000 0.0000 51911.8958 -109390.5498 298.3384 -161302.4456 -109027.5533 298.5249 -2.0535 22.6557 762423.0130 5.4865 5.4379 PRESSURE: 1034000 -83.2319 -159.624 80.1912 -159.624 -308.915 -9.52898 80.1911 -9.52933 -65.3956 GPRESSURE: 1034000 27.9121 -56.7409 12.4059 -10.2406 -340.959 -17.314 47.9144 99.9651 -67.8787 PRESSAVG: 1034000 75.1105 -26.5102 32.2768 -26.5102 -29.0568 0.694796 32.2769 0.694727 -10.7219 GPRESSAVG: 1034000 78.64 -22.5564 31.5206 -26.2957 -29.116 -1.18987 32.3228 2.31293 -13.5784 TIMING: 1034000 CPU: 3224.86, 0.00311421/step Wall: 3224.86, 0.00311421/step, 3.43082 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1034000 4055.4558 20560.1713 14332.4559 259.4755 -203273.8025 2818.9891 0.0000 0.0000 51832.1098 -109415.1452 297.8798 -161247.2550 -109059.3750 298.8347 -152.5141 -126.9752 764195.7943 11.7772 11.9819 PRESSURE: 1034200 123.349 -56.9628 25.1991 -56.9627 -295.01 -56.3895 25.1993 -56.3893 -321.807 GPRESSURE: 1034200 72.8316 22.5287 127.812 35.4386 -112.599 -36.6482 16.2989 -90.5715 -351.62 PRESSAVG: 1034200 49.4469 -39.1465 16.1835 -39.1465 -79.2092 36.7257 16.1835 36.7257 0.043808 GPRESSAVG: 1034200 47.7818 -41.0466 17.4576 -39.5178 -79.2806 36.8347 15.602 36.2638 1.79744 TIMING: 1034200 CPU: 3225.49, 0.00310971/step Wall: 3225.49, 0.00310971/step, 3.42569 hours remaining, 235.023438 MB of memory in use. ENERGY: 1034200 4049.7217 20467.8518 14421.3980 257.8980 -203166.9056 2654.7316 0.0000 0.0000 51957.9124 -109357.3921 298.6028 -161315.3044 -108995.0466 298.7475 -164.4894 -130.4624 763653.2261 -9.9061 -9.9004 PRESSURE: 1034400 -203.967 -27.7582 -111.838 -27.7591 273.676 72.7551 -111.838 72.755 62.3016 GPRESSURE: 1034400 -101.696 40.1322 -157.306 19.747 283.704 4.17616 -5.79202 117.973 38.6525 PRESSAVG: 1034400 42.7244 11.7641 53.6482 11.7641 -32.2469 53.0443 53.6482 53.0443 4.20387 GPRESSAVG: 1034400 42.4177 11.5947 52.7401 11.3156 -32.0075 51.8385 53.5385 54.1677 4.38342 TIMING: 1034400 CPU: 3226.11, 0.00311192/step Wall: 3226.11, 0.00311192/step, 3.42795 hours remaining, 235.023438 MB of memory in use. ENERGY: 1034400 4028.5829 20618.1715 14409.9221 249.2786 -203423.7496 3006.5124 0.0000 0.0000 51997.9836 -109113.2985 298.8331 -161111.2821 -108757.6757 299.4362 44.0033 73.5533 762755.4005 4.8938 4.9312 PRESSURE: 1034600 -204.521 65.1536 61.8168 65.1539 -99.7758 -39.4927 61.8169 -39.4924 -356.385 GPRESSURE: 1034600 -230.731 -52.0251 93.8278 10.2225 -109.564 -4.04254 77.045 12.2466 -239.222 PRESSAVG: 1034600 -1.20224 16.4439 46.718 16.444 -4.05843 43.5706 46.7179 43.5705 -10.1763 GPRESSAVG: 1034600 -0.106676 13.3869 45.2921 17.7614 -5.29511 44.4078 48.9186 44.1106 -9.98583 TIMING: 1034600 CPU: 3226.73, 0.00310037/step Wall: 3226.73, 0.00310037/step, 3.41506 hours remaining, 235.281250 MB of memory in use. ENERGY: 1034600 4041.2644 20593.1158 14402.7818 257.4897 -203457.9256 2854.7304 0.0000 0.0000 52054.5575 -109253.9861 299.1583 -161308.5436 -108883.4678 299.6989 -220.2274 -193.1721 763980.7104 -5.1456 -5.1292 PRESSURE: 1034800 -423.283 -84.6815 54.6117 -84.6814 104.689 413.113 54.6111 413.113 -84.073 GPRESSURE: 1034800 -287.313 -61.2914 -1.39493 16.0385 20.756 333.775 165.942 346.529 -50.6738 PRESSAVG: 1034800 37.7734 4.59406 -14.8483 4.59406 -64.1948 40.938 -14.8483 40.9381 26.1483 GPRESSAVG: 1034800 38.6805 7.83399 -13.2152 5.3075 -64.225 40.9237 -16.6545 39.6108 24.7306 TIMING: 1034800 CPU: 3227.35, 0.00312192/step Wall: 3227.35, 0.00312192/step, 3.43862 hours remaining, 235.281250 MB of memory in use. ENERGY: 1034800 3994.9695 20617.3689 14376.1131 263.3463 -203274.4049 2833.9219 0.0000 0.0000 51908.7798 -109279.9053 298.3205 -161188.6851 -108920.0400 299.3055 -134.2224 -105.7437 763105.9885 -0.0910 -0.2713 PRESSURE: 1035000 89.7008 -195.282 101.688 -195.282 7.08585 361.594 101.689 361.594 -153.745 GPRESSURE: 1035000 84.7692 -193.138 191.307 -151.153 153.296 282.22 57.8221 346.714 -207.92 PRESSAVG: 1035000 18.3873 4.17297 -34.7606 4.17295 -24.6434 58.8475 -34.7606 58.8474 14.2131 GPRESSAVG: 1035000 16.6448 3.98904 -34.2864 2.22754 -25.11 59.9199 -34.8028 58.9648 16.5296 TIMING: 1035000 CPU: 3227.98, 0.0031145/step Wall: 3227.98, 0.0031145/step, 3.43027 hours remaining, 235.281250 MB of memory in use. ENERGY: 1035000 3983.0531 20578.1205 14435.9774 250.7392 -203557.0728 3000.6745 0.0000 0.0000 52052.7834 -109255.7248 299.1481 -161308.5082 -108887.8531 299.1179 -18.9861 10.0485 761835.1889 2.6523 2.6881 PRESSURE: 1035200 -93.8506 -121.96 12.2061 -121.96 204.853 104.762 12.2038 104.762 -21.8881 GPRESSURE: 1035200 -151.364 61.4997 0.763406 -73.6642 208.596 122.575 -27.2564 84.7496 90.7385 PRESSAVG: 1035200 37.3881 15.2252 -0.0184764 15.2252 -29.2886 89.1836 -0.0184993 89.1836 -5.26807 GPRESSAVG: 1035200 37.022 16.3059 -1.92976 15.2155 -27.3569 88.0641 -0.541373 90.2869 -7.35089 TIMING: 1035200 CPU: 3228.6, 0.00312524/step Wall: 3228.6, 0.00312524/step, 3.44194 hours remaining, 235.281250 MB of memory in use. ENERGY: 1035200 4003.3337 20553.4316 14459.4198 241.8035 -203182.4158 2529.9587 0.0000 0.0000 52000.3140 -109394.1546 298.8465 -161394.4686 -109035.5837 299.6763 29.7047 49.3234 761926.8760 0.9438 0.7714 PRESSURE: 1035400 226.304 96.8565 -150.626 96.8561 226.922 132.71 -150.626 132.711 133.001 GPRESSURE: 1035400 321.752 146.516 -154.001 42.1919 126.012 74.5114 -71.2676 202.103 220.662 PRESSAVG: 1035400 -32.6681 -5.71227 -1.57168 -5.71236 11.1288 18.2365 -1.57166 18.2365 32.4774 GPRESSAVG: 1035400 -31.3132 -6.96975 -0.760034 -4.73326 9.18135 19.0872 -3.17498 16.6542 33.0346 TIMING: 1035400 CPU: 3229.22, 0.00310957/step Wall: 3229.22, 0.00310957/step, 3.4245 hours remaining, 235.281250 MB of memory in use. ENERGY: 1035400 3973.0525 20351.2067 14419.4724 219.9889 -203640.9352 3075.9458 0.0000 0.0000 52362.2304 -109239.0385 300.9265 -161601.2689 -108880.8553 299.1328 195.4088 222.8083 761247.1372 3.6460 3.6343 PRESSURE: 1035600 -303.361 223.581 70.5233 223.581 107.414 6.34203 70.5237 6.34319 25.7257 GPRESSURE: 1035600 -176.314 151.117 55.2865 193.128 162.694 66.3023 204.197 111.648 -58.2445 PRESSAVG: 1035600 0.965689 13.9327 12.3847 13.9327 -3.868 35.8099 12.3847 35.81 -22.521 GPRESSAVG: 1035600 -0.104075 13.4355 14.2145 14.9144 -3.38387 35.4552 14.7692 40.6944 -22.1094 TIMING: 1035600 CPU: 3229.85, 0.00311504/step Wall: 3229.85, 0.00311504/step, 3.43035 hours remaining, 235.281250 MB of memory in use. ENERGY: 1035600 3979.9676 20484.3726 14442.3390 241.9275 -203488.2220 2850.1268 0.0000 0.0000 52345.9420 -109143.5466 300.8328 -161489.4886 -108777.8581 299.2101 -56.7405 -23.9548 760999.6894 -8.4745 -8.5325 PRESSURE: 1035800 -31.2931 -260.931 -102.374 -260.931 -203.917 151.022 -102.373 151.022 385.302 GPRESSURE: 1035800 -23.5553 -207.215 -138.71 -171.959 -153.333 76.4487 -73.089 188.18 404.435 PRESSAVG: 1035800 14.9637 25.6535 48.5668 25.6535 -19.6511 82.5201 48.5668 82.5201 12.3327 GPRESSAVG: 1035800 14.25 23.7675 46.8805 25.0205 -18.3208 83.3789 48.6839 78.1192 11.7693 TIMING: 1035800 CPU: 3230.47, 0.00312375/step Wall: 3230.47, 0.00312375/step, 3.43977 hours remaining, 235.281250 MB of memory in use. ENERGY: 1035800 3958.9436 20534.9995 14448.1925 264.3485 -203662.9881 3073.7891 0.0000 0.0000 52218.4064 -109164.3086 300.0999 -161382.7150 -108798.6431 299.8034 50.0306 75.8489 761473.8463 2.5484 2.5662 PRESSURE: 1036000 -158.254 96.4709 163.696 96.4711 311.15 241.767 163.696 241.767 130.056 GPRESSURE: 1036000 -155.04 148.503 85.0347 96.2682 318.801 259.563 155.579 111.283 187.303 PRESSAVG: 1036000 20.738 6.28023 40.0158 6.2802 -21.719 5.21327 40.0158 5.21328 9.94915 GPRESSAVG: 1036000 19.7176 8.533 40.7537 4.89699 -21.6498 5.09621 38.3805 4.38598 10.893 TIMING: 1036000 CPU: 3231.09, 0.00311645/step Wall: 3231.09, 0.00311645/step, 3.43156 hours remaining, 235.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1036000 4057.2503 20550.2796 14435.1354 234.6339 -203470.1695 3017.8498 0.0000 0.0000 52107.6161 -109067.4044 299.4632 -161175.0205 -108703.1412 300.2192 94.3175 117.0213 763563.0414 2.9894 2.9869 PRESSURE: 1036200 77.8685 -71.5743 -76.8548 -71.5744 -258.845 75.2459 -76.854 75.2455 73.0653 GPRESSURE: 1036200 175.846 20.1633 -192.074 -76.5691 -251.358 86.4557 69.7154 -4.5723 57.2447 PRESSAVG: 1036200 10.5435 -21.7991 -29.5961 -21.7991 -10.7451 32.2673 -29.5961 32.2673 3.75195 GPRESSAVG: 1036200 12.3232 -22.7719 -31.0961 -19.9572 -11.4452 33.5949 -26.8858 33.3712 2.53581 TIMING: 1036200 CPU: 3231.72, 0.00311412/step Wall: 3231.72, 0.00311412/step, 3.42882 hours remaining, 235.281250 MB of memory in use. ENERGY: 1036200 4034.5760 20525.5210 14493.2334 255.8322 -203003.5994 2924.8410 0.0000 0.0000 51860.5997 -108908.9961 298.0436 -160769.5958 -108547.8435 299.8828 -35.9705 -6.0893 764540.1522 1.1835 1.1379 LDB: ============= START OF LOAD BALANCING ============== 3244.2 LDB: ============== END OF LOAD BALANCING =============== 3244.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3244.2 LDB: ============= START OF LOAD BALANCING ============== 3244.51 LDB: Largest compute 6997 load 0.030895 is 15.8% of average load 0.195052 LDB: Average compute 0.004410 is 2.3% of average load 0.195052 LDB: TIME 3244.51 LOAD: AVG 0.195052 MAX 0.214923 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.441 MB LDB: TIME 3244.51 LOAD: AVG 0.195052 MAX 0.214923 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.445 MB LDB: TIME 3244.51 LOAD: AVG 0.195052 MAX 0.214923 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.445 MB LDB: ============== END OF LOAD BALANCING =============== 3244.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3244.52 PRESSURE: 1036400 92.2594 215.244 -129.893 215.243 -107.975 -59.5645 -129.893 -59.564 -5.43094 GPRESSURE: 1036400 32.1271 276.361 -259.483 243.4 -30.0768 -1.28435 -151.502 108.26 65.1085 PRESSAVG: 1036400 34.7377 -8.09458 14.0291 -8.09453 2.07694 37.1789 14.0291 37.179 2.81336 GPRESSAVG: 1036400 34.8266 -8.36822 14.4069 -7.91909 2.18171 36.781 12.8396 36.0217 3.14882 TIMING: 1036400 CPU: 3232.36, 0.00319189/step Wall: 3232.36, 0.00319189/step, 3.51427 hours remaining, 233.726562 MB of memory in use. ENERGY: 1036400 4046.8292 20579.5333 14461.2105 262.5749 -203424.2985 3019.4554 0.0000 0.0000 52147.3504 -108907.3448 299.6915 -161054.6952 -108538.7540 299.7976 -7.0487 22.3862 764145.0583 13.2093 13.3857 PRESSURE: 1036600 -73.3483 338.359 102.346 338.359 -14.4386 -193.852 102.345 -193.852 -147.947 GPRESSURE: 1036600 -47.6533 200.651 126.067 171.144 -10.7515 -148.621 42.1294 -219.66 -121.453 PRESSAVG: 1036600 -18.7362 -17.9882 5.71566 -17.9882 30.8102 13.8065 5.71563 13.8065 -21.7275 GPRESSAVG: 1036600 -17.7824 -16.7428 5.77302 -19.7104 30.1575 13.9658 5.96253 14.2425 -22.0941 TIMING: 1036600 CPU: 3232.98, 0.00310514/step Wall: 3232.98, 0.00310514/step, 3.41859 hours remaining, 233.726562 MB of memory in use. ENERGY: 1036600 4040.8715 20682.8705 14447.0799 243.3279 -202979.1828 2729.8163 0.0000 0.0000 51918.2474 -108916.9693 298.3749 -160835.2167 -108546.1995 299.5377 -78.5781 -59.9525 763823.5527 -3.2178 -3.2397 PRESSURE: 1036800 -97.9318 25.9866 43.6587 25.986 115.181 -29.7232 43.658 -29.7239 92.1109 GPRESSURE: 1036800 -38.2457 -5.2909 -23.5041 -83.679 34.9992 -58.2843 -8.91932 -126.721 193.288 PRESSAVG: 1036800 -13.0719 12.3828 -28.5895 12.3828 37.3692 -6.06055 -28.5895 -6.0604 5.67951 GPRESSAVG: 1036800 -15.1129 12.035 -28.6463 10.8092 37.7027 -6.21656 -29.9961 -5.09858 7.46748 TIMING: 1036800 CPU: 3233.6, 0.00312542/step Wall: 3233.6, 0.00312542/step, 3.44074 hours remaining, 233.726562 MB of memory in use. ENERGY: 1036800 4040.9025 20447.1977 14416.8090 257.8207 -203760.3871 3243.2130 0.0000 0.0000 52290.9695 -109063.4746 300.5169 -161354.4441 -108706.2090 299.2984 36.4535 63.3472 764612.4271 9.9923 10.0191 PRESSURE: 1037000 -458.157 -25.5371 60.8802 -25.5375 50.7326 -114.236 60.8806 -114.236 -439.724 GPRESSURE: 1037000 -397.234 -45.6854 108.561 88.0522 42.8245 -128.387 49.6327 54.0929 -417.55 PRESSAVG: 1037000 51.8008 -18.2797 -24.2823 -18.2797 -36.7278 17.6585 -24.2823 17.6585 23.5119 GPRESSAVG: 1037000 52.6912 -17.7812 -22.8744 -15.4325 -38.2982 16.1324 -22.0696 18.7625 23.6477 TIMING: 1037000 CPU: 3234.23, 0.00313647/step Wall: 3234.23, 0.00313647/step, 3.45273 hours remaining, 233.726562 MB of memory in use. ENERGY: 1037000 4038.9422 20527.8059 14459.6557 231.6952 -203136.2112 2555.6595 0.0000 0.0000 52219.8588 -109102.5939 300.1082 -161322.4527 -108740.9019 299.3789 -282.3828 -257.3197 763276.7266 12.8617 12.6802 PRESSURE: 1037200 -235.372 113.886 36.7433 113.886 -295.502 285.192 36.7434 285.191 -379.384 GPRESSURE: 1037200 -203.836 -18.0527 -18.7787 134.233 -289.32 289.963 -134.152 286.381 -330.787 PRESSAVG: 1037200 -14.34 -14.0276 -20.589 -14.0277 5.90072 -23.3634 -20.5891 -23.3634 -33.4875 GPRESSAVG: 1037200 -12.8257 -17.0092 -18.9695 -12.6184 5.98111 -22.4561 -22.8275 -25.0316 -34.6773 TIMING: 1037200 CPU: 3234.85, 0.00312488/step Wall: 3234.85, 0.00312488/step, 3.4398 hours remaining, 233.726562 MB of memory in use. ENERGY: 1037200 4069.8661 20586.1314 14478.6867 255.2946 -202982.9393 2584.4008 0.0000 0.0000 51918.6374 -109089.9223 298.3771 -161008.5597 -108728.2354 299.4569 -303.4191 -274.6480 763065.9734 -13.9756 -13.8406 PRESSURE: 1037400 18.0268 -110.883 85.605 -110.884 1.6029 -59.4579 85.6054 -59.4589 -330.6 GPRESSURE: 1037400 46.2203 -96.1678 164.807 -160.952 -74.5406 -60.3474 11.4693 18.9395 -218.448 PRESSAVG: 1037400 18.2634 -11.9162 -22.0101 -11.9162 -41.7309 55.596 -22.0102 55.596 29.588 GPRESSAVG: 1037400 17.3209 -10.2335 -24.0288 -14.9522 -41.8301 55.9864 -21.4821 56.9913 30.3497 TIMING: 1037400 CPU: 3235.48, 0.00312743/step Wall: 3235.48, 0.00312743/step, 3.44243 hours remaining, 233.726562 MB of memory in use. ENERGY: 1037400 3988.4433 20529.8918 14481.4672 271.8992 -203271.8863 2775.2205 0.0000 0.0000 52083.9468 -109141.0175 299.3272 -161224.9643 -108771.3554 299.7094 -103.6567 -82.2563 761736.9383 2.0401 1.9468 PRESSURE: 1037600 194.833 -79.7748 -140.551 -79.7747 -42.8325 -130.965 -140.551 -130.966 78.6626 GPRESSURE: 1037600 219.14 -43.3659 -103.526 -47.8971 20.7987 -229.083 -100.5 1.21782 74.1384 PRESSAVG: 1037600 21.4168 -21.4139 14.113 -21.414 -5.80695 -1.77047 14.113 -1.77051 7.78126 GPRESSAVG: 1037600 20.4614 -21.8629 13.5019 -19.5297 -5.04775 -2.48405 14.7476 -0.028844 8.13989 TIMING: 1037600 CPU: 3236.1, 0.00312175/step Wall: 3236.1, 0.00312175/step, 3.43601 hours remaining, 233.726562 MB of memory in use. ENERGY: 1037600 3970.9514 20662.5817 14452.4380 246.4679 -203711.5806 3091.8917 0.0000 0.0000 51968.6973 -109318.5526 298.6648 -161287.2499 -108960.3890 299.5891 76.8878 104.6923 761498.8722 7.7970 7.8512 PRESSURE: 1037800 -112.551 229.546 143.624 229.546 -53.7992 108.338 143.625 108.339 0.00455432 GPRESSURE: 1037800 -99.8957 165.489 159.969 231.8 -12.3451 62.7474 178.732 -56.1647 29.9609 PRESSAVG: 1037800 8.70994 29.7665 19.5532 29.7665 -25.4435 22.4919 19.5532 22.4919 3.4603 GPRESSAVG: 1037800 9.12518 30.0052 20.5532 29.1008 -25.5212 21.8539 19.7704 19.5327 2.55513 TIMING: 1037800 CPU: 3236.73, 0.00313162/step Wall: 3236.73, 0.00313162/step, 3.4467 hours remaining, 233.726562 MB of memory in use. ENERGY: 1037800 3989.1696 20416.3037 14404.3273 262.9798 -203506.8548 2805.8761 0.0000 0.0000 52206.2667 -109421.9316 300.0301 -161628.1982 -109059.2824 299.0437 -55.4485 -27.4266 761540.6808 -4.4244 -4.6136 PRESSURE: 1038000 397.819 -42.2916 78.4514 -42.2914 248.046 201.178 78.4518 201.177 274.988 GPRESSURE: 1038000 338.442 -76.3455 66.0153 9.8576 385.236 170.157 60.7477 216.439 272.818 PRESSAVG: 1038000 48.8258 -53.7094 -40.4012 -53.7094 -67.0191 21.9842 -40.4013 21.984 -11.841 GPRESSAVG: 1038000 49.8626 -51.5228 -41.2463 -53.1167 -67.4713 23.0868 -40.1327 22.5762 -12.8258 TIMING: 1038000 CPU: 3237.35, 0.00312309/step Wall: 3237.35, 0.00312309/step, 3.43713 hours remaining, 233.726562 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: 1038000 3923.7107 20453.6885 14489.8429 244.4665 -203311.8878 3002.8453 0.0000 0.0000 51859.0293 -109338.3046 298.0346 -161197.3339 -108979.8249 298.8499 306.9508 332.1653 762842.5168 -10.0114 -10.1448 PRESSURE: 1038200 77.9182 -109.09 -195.147 -109.091 403.183 112.538 -195.147 112.538 46.9554 GPRESSURE: 1038200 43.3603 -60.6633 -66.032 -16.2905 424.39 -77.3015 -247.247 96.2704 138.706 PRESSAVG: 1038200 51.0095 -34.5015 -12.8365 -34.5015 -110.037 7.65714 -12.8366 7.65718 11.7011 GPRESSAVG: 1038200 49.8322 -35.5367 -13.2773 -33.027 -109.821 5.70043 -10.7882 7.4983 12.4368 TIMING: 1038200 CPU: 3237.98, 0.00311232/step Wall: 3237.98, 0.00311233/step, 3.42512 hours remaining, 233.726562 MB of memory in use. ENERGY: 1038200 3966.2204 20543.3389 14471.9889 248.4702 -203614.1603 2867.8564 0.0000 0.0000 52202.3122 -109313.9732 300.0074 -161516.2854 -108953.2452 298.8289 176.0188 202.1521 761522.4256 -15.7756 -15.8506 PRESSURE: 1038400 -24.1075 46.3271 -104.691 46.3274 195.95 36.0629 -104.691 36.0628 149.976 GPRESSURE: 1038400 -27.6836 -82.6427 -159.307 -37.1427 258.992 -18.162 -97.4799 16.8408 155.421 PRESSAVG: 1038400 27.0021 -72.2067 33.9802 -72.2068 40.6105 13.6902 33.9802 13.6902 5.66169 GPRESSAVG: 1038400 26.2206 -73.2726 35.5566 -72.5287 41.0571 14.8002 32.5429 14.5929 5.57674 TIMING: 1038400 CPU: 3238.6, 0.00312532/step Wall: 3238.6, 0.00312532/step, 3.43924 hours remaining, 233.726562 MB of memory in use. ENERGY: 1038400 3881.1609 20610.7702 14482.6525 262.8033 -203690.2824 3100.8319 0.0000 0.0000 52020.8944 -109331.1693 298.9648 -161352.0637 -108975.8703 299.3745 107.2729 128.9098 761940.8115 24.4248 24.2848 PRESSURE: 1038600 -71.3568 -66.5761 9.7083 -66.5765 31.3824 51.5204 9.70832 51.519 -202.428 GPRESSURE: 1038600 -118.101 -106.377 53.0207 41.5663 107.629 103.067 -22.9379 144.394 -160.981 PRESSAVG: 1038600 -19.5498 -9.23394 -33.0553 -9.23396 -8.79268 65.5191 -33.0553 65.5191 13.0855 GPRESSAVG: 1038600 -18.7227 -9.85939 -33.5096 -9.27841 -10.2122 66.4352 -32.3973 65.579 13.1008 TIMING: 1038600 CPU: 3239.23, 0.00314261/step Wall: 3239.23, 0.00314261/step, 3.45809 hours remaining, 233.726562 MB of memory in use. ENERGY: 1038600 3965.5242 20528.1187 14389.6811 271.6458 -203831.7041 3072.4179 0.0000 0.0000 51985.4128 -109618.9037 298.7609 -161604.3165 -109259.7764 298.7738 -80.8009 -57.1507 761343.8268 -5.0857 -5.2780 PRESSURE: 1038800 -330.379 -93.5971 235.559 -93.5982 -161.334 137.299 235.559 137.299 -144.176 GPRESSURE: 1038800 -297.361 -117.965 125.428 -5.23732 -61.9435 61.9781 183.378 113.616 -197.391 PRESSAVG: 1038800 48.4078 6.52941 -16.5845 6.52942 -66.0547 20.5684 -16.5845 20.5685 -14.2653 GPRESSAVG: 1038800 48.11 10.3336 -16.923 4.90383 -65.3532 20.224 -17.7781 20.8346 -14.8873 TIMING: 1038800 CPU: 3239.85, 0.00311861/step Wall: 3239.85, 0.00311862/step, 3.43152 hours remaining, 233.726562 MB of memory in use. ENERGY: 1038800 4020.2543 20587.5341 14398.8343 255.6492 -203346.7570 2719.6078 0.0000 0.0000 51794.6472 -109570.2301 297.6645 -161364.8773 -109211.6933 298.2903 -211.9628 -185.5653 763625.4183 -10.6374 -10.7102 PRESSURE: 1039000 -12.5381 12.1587 -232.947 12.1589 293.478 186.844 -232.947 186.845 -28.705 GPRESSURE: 1039000 63.1321 -114.057 -260.395 60.2433 243.661 185.743 -69.2737 113.672 29.3236 PRESSAVG: 1039000 88.4643 40.3221 -10.6602 40.3222 -53.347 33.0372 -10.6603 33.0372 -0.45756 GPRESSAVG: 1039000 89.4261 37.9173 -10.8836 38.5238 -53.159 33.8772 -10.1424 30.5401 -1.32856 TIMING: 1039000 CPU: 3240.48, 0.00310955/step Wall: 3240.48, 0.00310955/step, 3.42137 hours remaining, 233.726562 MB of memory in use. ENERGY: 1039000 3873.2661 20317.8555 14424.9701 246.6957 -203555.8578 3133.1393 0.0000 0.0000 51936.9660 -109622.9651 298.4825 -161559.9311 -109264.4585 297.9694 84.0782 112.0389 762443.9062 11.5533 11.6462 PRESSURE: 1039200 220.961 105.025 135.759 105.025 -183.051 -134.35 135.759 -134.349 -2.4403 GPRESSURE: 1039200 147.178 151.633 167.376 98.9906 -1.28109 -134.567 134.365 -124.691 -49.7601 PRESSAVG: 1039200 57.4021 25.7926 25.0883 25.7926 -23.7294 41.995 25.0882 41.9949 -2.18347 GPRESSAVG: 1039200 55.541 25.1825 25.0667 28.1486 -22.4967 40.2365 25.8922 45.6987 -1.04067 TIMING: 1039200 CPU: 3241.1, 0.00311809/step Wall: 3241.1, 0.00311809/step, 3.4306 hours remaining, 233.726562 MB of memory in use. ENERGY: 1039200 4013.3171 20272.4895 14481.8726 241.2175 -203274.5287 2830.2225 0.0000 0.0000 51842.1491 -109593.2604 297.9375 -161435.4095 -109220.9402 298.1455 11.8230 32.0455 761906.5398 10.4964 10.6679 PRESSURE: 1039400 20.2097 128.201 -74.7187 128.202 -195.099 200.608 -74.7189 200.608 24.7763 GPRESSURE: 1039400 17.4666 156.495 -43.9133 117.082 -127.788 200.522 85.3638 91.904 50.0964 PRESSAVG: 1039400 22.5 46.7746 -2.93593 46.7746 -58.0947 4.2364 -2.93591 4.23643 11.4919 GPRESSAVG: 1039400 23.3633 47.3857 -2.67324 46.4748 -58.6714 5.46284 -5.08452 1.25285 10.6306 TIMING: 1039400 CPU: 3241.72, 0.00311659/step Wall: 3241.72, 0.00311659/step, 3.42877 hours remaining, 233.726562 MB of memory in use. ENERGY: 1039400 4072.9525 20436.9178 14505.8213 268.4917 -203221.5394 2625.0965 0.0000 0.0000 51734.4611 -109577.7985 297.3187 -161312.2596 -109216.2635 298.3491 -50.0378 -20.0750 763522.3334 -8.0343 -8.2259 PRESSURE: 1039600 -342.342 46.4107 202.663 46.4112 176.518 175.621 202.663 175.621 -90.4797 GPRESSURE: 1039600 -268.024 -69.0493 280.101 -107.284 191.297 181.073 80.3783 130.721 -79.846 PRESSAVG: 1039600 14.9654 42.978 -33.9805 42.978 -13.7724 11.7179 -33.9805 11.7179 -6.4392 GPRESSAVG: 1039600 16.4377 41.5892 -31.5022 44.7168 -14.6323 12.1906 -34.7163 9.54926 -7.07182 TIMING: 1039600 CPU: 3242.35, 0.00311751/step Wall: 3242.35, 0.00311751/step, 3.42961 hours remaining, 233.726562 MB of memory in use. ENERGY: 1039600 3989.3486 20589.5034 14432.0966 258.8978 -203295.8284 2653.3829 0.0000 0.0000 52148.5686 -109224.0305 299.6985 -161372.5990 -108856.2839 299.0114 -85.4348 -52.1908 763389.4432 -1.7487 -1.7555 PRESSURE: 1039800 215.641 119.614 78.0311 119.615 -72.9489 82.6582 78.031 82.6575 46.6039 GPRESSURE: 1039800 183.75 62.125 69.6555 168.734 10.36 99.1993 -0.0854294 176.802 70.1313 PRESSAVG: 1039800 -52.2865 10.1361 -46.0797 10.1361 -20.1836 41.7829 -46.0797 41.7828 -13.6868 GPRESSAVG: 1039800 -54.3628 9.90713 -48.606 9.73846 -19.377 41.136 -45.8019 44.2626 -12.9072 TIMING: 1039800 CPU: 3242.97, 0.0031062/step Wall: 3242.97, 0.0031062/step, 3.41699 hours remaining, 233.726562 MB of memory in use. ENERGY: 1039800 3992.2242 20797.4159 14414.2514 246.8467 -203478.2201 2906.8158 0.0000 0.0000 51789.6136 -109331.0526 297.6356 -161120.6662 -108980.6540 298.9107 63.0987 88.0805 763593.2165 -28.7190 -28.8823 PRESSURE: 1040000 -286.739 56.7886 -173.8 56.788 -340.584 19.3125 -173.8 19.3141 49.3925 GPRESSURE: 1040000 -180.245 103.608 -139.744 30.0985 -288.906 94.3266 -174.385 -79.6352 -4.98685 PRESSAVG: 1040000 30.9101 25.6592 -24.248 25.6591 -23.9599 31.6204 -24.248 31.6204 31.4018 GPRESSAVG: 1040000 32.2997 30.3703 -23.2723 25.2654 -24.4737 32.0286 -23.7355 28.9743 30.5079 TIMING: 1040000 CPU: 3243.59, 0.00311437/step Wall: 3243.59, 0.00311437/step, 3.4258 hours remaining, 233.726562 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: 1040000 4059.9307 20410.1941 14459.1878 259.9192 -203141.3576 2715.7053 0.0000 0.0000 51968.4662 -109267.9544 298.6635 -161236.4205 -108904.5387 298.8394 -192.6435 -158.0457 763163.4826 12.7840 12.7780 PRESSURE: 1040200 109.746 -101.134 -165.424 -101.134 -283.568 -140.177 -165.424 -140.176 -277.98 GPRESSURE: 1040200 99.1293 -36.3336 -170.856 -55.7798 -145.499 -118.445 -115.818 -106.353 -318.502 PRESSAVG: 1040200 23.2106 12.2606 7.20448 12.2605 -40.3236 -39.5613 7.20456 -39.5613 20.2499 GPRESSAVG: 1040200 22.313 9.93532 7.55248 12.4125 -39.848 -38.9076 7.38355 -39.107 21.05 TIMING: 1040200 CPU: 3244.22, 0.00314378/step Wall: 3244.22, 0.00314378/step, 3.45798 hours remaining, 233.726562 MB of memory in use. ENERGY: 1040200 3946.3463 20591.9763 14376.6996 245.3585 -203269.1764 2825.5536 0.0000 0.0000 52015.0370 -109268.2052 298.9311 -161283.2422 -108910.0106 299.1344 -150.6010 -121.6240 764211.7671 1.0456 1.1716 LDB: ============= START OF LOAD BALANCING ============== 3256.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3256.7 LDB: =============== DONE WITH MIGRATION ================ 3256.7 LDB: ============= START OF LOAD BALANCING ============== 3257.01 LDB: Largest compute 6972 load 0.031240 is 16.0% of average load 0.194986 LDB: Average compute 0.004386 is 2.2% of average load 0.194986 LDB: TIME 3257.02 LOAD: AVG 0.194986 MAX 0.214337 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.918 MB LDB: TIME 3257.02 LOAD: AVG 0.194986 MAX 0.214337 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.922 MB LDB: TIME 3257.02 LOAD: AVG 0.194986 MAX 0.214337 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.922 MB LDB: ============== END OF LOAD BALANCING =============== 3257.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3257.02 PRESSURE: 1040400 141.82 25.0607 203.305 25.0609 -16.9517 77.3494 203.306 77.3488 -91.3536 GPRESSURE: 1040400 340.16 36.4449 208.976 74.0777 -116.287 12.1347 -1.3288 1.19887 -103.874 PRESSAVG: 1040400 82.6433 25.8097 13.622 25.8097 -101.825 -8.41149 13.622 -8.41139 38.8107 GPRESSAVG: 1040400 83.9223 23.629 12.7986 27.1274 -102.643 -9.42526 13.7757 -7.01744 39.0991 TIMING: 1040400 CPU: 3244.86, 0.00318994/step Wall: 3244.86, 0.00318994/step, 3.50858 hours remaining, 233.726562 MB of memory in use. ENERGY: 1040400 3998.6922 20610.0178 14369.1051 247.2142 -203448.8943 2922.6917 0.0000 0.0000 52162.0624 -109139.1110 299.7761 -161301.1733 -108775.1088 298.9254 11.1716 40.0000 763884.0528 6.5431 6.7927 PRESSURE: 1040600 -79.0815 -147.521 -41.7967 -147.521 120.804 -34.311 -41.797 -34.31 -481.105 GPRESSURE: 1040600 -10.7494 -229.625 -10.6186 -214.133 64.3926 -98.6017 -57.3744 74.9289 -393.42 PRESSAVG: 1040600 73.6813 24.9288 35.9023 24.9288 -45.7396 -32.6465 35.9022 -32.6465 -21.1912 GPRESSAVG: 1040600 73.2912 26.4677 36.3589 22.1879 -44.6773 -32.6887 36.6286 -33.3269 -22.0836 TIMING: 1040600 CPU: 3245.48, 0.00311192/step Wall: 3245.48, 0.00311192/step, 3.4226 hours remaining, 233.929688 MB of memory in use. ENERGY: 1040600 4031.4592 20594.2046 14502.5728 266.9321 -203712.9731 3282.1079 0.0000 0.0000 51919.5617 -109116.1347 298.3824 -161035.6964 -108762.7441 299.3213 -146.4607 -113.2589 765645.7293 2.2502 2.1768 PRESSURE: 1040800 138.843 181.718 -254.943 181.717 -225.666 50.5526 -254.943 50.5526 -33.6999 GPRESSURE: 1040800 173.402 56.529 -114.255 132.496 -231.976 85.0665 -289.517 151.599 12.2781 PRESSAVG: 1040800 82.9559 25.5784 -30.4584 25.5783 -69.4642 -7.1378 -30.4583 -7.13778 -17.9117 GPRESSAVG: 1040800 80.7461 24.967 -30.4846 26.3018 -68.7225 -8.32511 -30.3154 -5.07547 -16.4067 TIMING: 1040800 CPU: 3246.1, 0.00311461/step Wall: 3246.1, 0.00311461/step, 3.42538 hours remaining, 233.929688 MB of memory in use. ENERGY: 1040800 3938.0067 20502.9145 14528.7539 252.7436 -203265.2708 2794.3377 0.0000 0.0000 52131.4815 -109117.0328 299.6003 -161248.5143 -108756.5999 299.1437 -40.1742 -15.4318 763463.2165 -1.4733 -1.4610 PRESSURE: 1041000 -142.834 136.288 -29.0991 136.288 -301.985 21.4287 -29.0998 21.4289 97.946 GPRESSURE: 1041000 0.601405 248.892 -12.016 203.603 -313.773 -54.6243 -34.8496 122.654 41.3201 PRESSAVG: 1041000 49.2167 14.2553 18.444 14.2553 -41.7312 -12.2949 18.444 -12.2949 -1.91099 GPRESSAVG: 1041000 52.066 15.4682 18.9613 15.481 -43.082 -12.1259 18.7905 -13.7576 -3.11048 TIMING: 1041000 CPU: 3246.73, 0.003128/step Wall: 3246.73, 0.003128/step, 3.43993 hours remaining, 233.929688 MB of memory in use. ENERGY: 1041000 3994.4136 20525.6350 14462.6712 248.0427 -203203.9046 2830.2839 0.0000 0.0000 52000.0534 -109142.8049 298.8450 -161142.8583 -108779.8692 299.4582 -115.6245 -90.6172 764901.8840 1.8582 1.9579 PRESSURE: 1041200 -63.5729 -159.434 42.1375 -159.434 144.306 -59.5991 42.138 -59.6006 236.624 GPRESSURE: 1041200 -3.03332 34.3217 79.6335 -221.078 167.667 -89.3275 4.03553 -1.77633 247.158 PRESSAVG: 1041200 64.2117 14.6214 -5.61626 14.6214 -39.5275 49.713 -5.61622 49.713 15.2989 GPRESSAVG: 1041200 63.0913 13.9969 -6.45512 13.2106 -39.7807 48.3853 -6.8894 51.2427 16.0836 TIMING: 1041200 CPU: 3247.36, 0.00313134/step Wall: 3247.36, 0.00313134/step, 3.44343 hours remaining, 233.929688 MB of memory in use. ENERGY: 1041200 3973.2552 20528.7270 14504.9723 263.3367 -203686.1809 2876.2188 0.0000 0.0000 52264.3128 -109275.3583 300.3637 -161539.6710 -108914.9344 299.5520 105.7856 137.2640 761075.6970 13.3277 13.1314 PRESSURE: 1041400 -78.3402 126.861 -83.5453 126.861 -43.498 -204.111 -83.5453 -204.111 -445.981 GPRESSURE: 1041400 -112.185 9.62563 -93.9584 107.943 -22.4518 -212.018 -111.6 -178.471 -362.923 PRESSAVG: 1041400 2.58507 -30.7096 -37.7727 -30.7096 4.26805 -53.4473 -37.7727 -53.4473 -1.60036 GPRESSAVG: 1041400 2.29837 -32.3095 -36.8959 -29.598 3.83723 -50.9361 -36.6763 -55.6951 -1.03965 TIMING: 1041400 CPU: 3247.98, 0.00313067/step Wall: 3247.98, 0.00313067/step, 3.44252 hours remaining, 233.929688 MB of memory in use. ENERGY: 1041400 3944.6671 20655.2163 14423.4307 262.7960 -203250.3895 2649.9076 0.0000 0.0000 52350.0738 -108964.2980 300.8566 -161314.3718 -108596.2706 300.0094 -189.2730 -165.8532 762954.8234 1.7509 1.6987 PRESSURE: 1041600 371.146 33.1915 -118.32 33.1917 88.7928 -53.8907 -118.319 -53.8908 -309.462 GPRESSURE: 1041600 399.683 76.7042 -64.7965 -24.0713 127.794 -61.7927 -169.801 -62.9634 -292.903 PRESSAVG: 1041600 81.2513 0.740009 -35.8167 0.73994 -67.3199 32.7787 -35.8167 32.7787 22.9199 GPRESSAVG: 1041600 82.1298 1.09875 -37.1183 0.608212 -66.7134 30.159 -35.576 33.8533 21.2494 TIMING: 1041600 CPU: 3248.6, 0.00310949/step Wall: 3248.6, 0.00310949/step, 3.41906 hours remaining, 233.929688 MB of memory in use. ENERGY: 1041600 4027.1363 20742.3436 14479.0444 238.5787 -203469.1696 2946.3863 0.0000 0.0000 52103.2892 -108932.3911 299.4383 -161035.6803 -108574.7840 299.7014 50.1588 78.1912 763082.0498 12.2838 12.2219 PRESSURE: 1041800 -516.601 -146.299 -8.46105 -146.299 22.4613 -96.909 -8.46106 -96.9093 -26.2651 GPRESSURE: 1041800 -461.29 -14.4308 -4.11737 -97.6989 53.9461 -22.7114 39.4664 -85.1848 -24.9205 PRESSAVG: 1041800 33.7898 -22.4105 -42.9759 -22.4104 -5.3384 -12.4574 -42.9758 -12.4574 -5.11394 GPRESSAVG: 1041800 34.0699 -20.4558 -43.1619 -24.6666 -5.72807 -11.1229 -44.4675 -10.6476 -4.91146 TIMING: 1041800 CPU: 3249.23, 0.00311389/step Wall: 3249.23, 0.00311389/step, 3.42373 hours remaining, 233.929688 MB of memory in use. ENERGY: 1041800 4018.9165 20530.5532 14436.4051 250.1705 -203043.5540 2689.0269 0.0000 0.0000 52117.7214 -109000.7605 299.5213 -161118.4819 -108635.0408 299.8683 -173.4683 -144.0881 763450.3081 7.7791 7.8101 PRESSURE: 1042000 2.80058 89.6623 -91.7752 89.6621 312.82 -29.3331 -91.7744 -29.3325 -240.044 GPRESSURE: 1042000 93.6125 140.724 -126.901 111.516 284.528 -172.181 12.0638 -49.0615 -208.637 PRESSAVG: 1042000 88.179 19.4487 12.6971 19.4486 -89.1802 4.37662 12.697 4.37649 -13.3518 GPRESSAVG: 1042000 87.2176 19.5247 13.1657 21.5834 -89.1657 3.06954 14 2.76378 -12.622 TIMING: 1042000 CPU: 3249.85, 0.00310594/step Wall: 3249.85, 0.00310594/step, 3.41481 hours remaining, 233.929688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1042000 3951.9858 20536.7450 14448.7537 238.6195 -203200.0983 2838.4256 0.0000 0.0000 52119.2253 -109066.3434 299.5299 -161185.5687 -108697.5938 299.5340 25.1920 56.5011 761997.8370 -4.7843 -4.8567 PRESSURE: 1042200 -327.467 -60.5904 -103.682 -60.5915 -135.612 31.3428 -103.682 31.3439 -23.6181 GPRESSURE: 1042200 -307.829 -31.9055 -86.1058 35.9708 -46.5991 -17.9554 -116.979 -80.4915 -66.1532 PRESSAVG: 1042200 19.107 5.13448 -52.6029 5.13446 14.7502 -38.1822 -52.6029 -38.1822 -4.4185 GPRESSAVG: 1042200 19.5466 5.18549 -53.6899 3.26629 14.5701 -37.4319 -52.9477 -39.0962 -4.31865 TIMING: 1042200 CPU: 3250.47, 0.0031169/step Wall: 3250.47, 0.0031169/step, 3.42669 hours remaining, 233.929688 MB of memory in use. ENERGY: 1042200 3921.3098 20445.9746 14422.2813 253.9290 -202995.0329 2759.3819 0.0000 0.0000 52268.6230 -108923.5333 300.3885 -161192.1562 -108561.7368 299.5927 -162.2324 -140.1938 765398.8153 9.8129 9.9327 PRESSURE: 1042400 -126.012 1.02362 81.449 1.02382 -222.294 -138.241 81.4501 -138.242 -247.718 GPRESSURE: 1042400 -112.081 -60.458 69.034 16.7431 -170.452 -156.283 85.6238 -31.8564 -213.471 PRESSAVG: 1042400 22.913 -5.37144 -42.3361 -5.3715 -30.2919 -56.0039 -42.3362 -56.0039 -4.67095 GPRESSAVG: 1042400 23.4805 -6.16283 -41.7495 -5.31715 -30.6687 -55.3362 -42.6941 -54.2643 -4.99961 TIMING: 1042400 CPU: 3251.1, 0.00312447/step Wall: 3251.1, 0.00312447/step, 3.43483 hours remaining, 233.929688 MB of memory in use. ENERGY: 1042400 3968.6136 20390.9215 14472.7232 235.1805 -202905.7377 2656.1930 0.0000 0.0000 52211.3285 -108970.7775 300.0592 -161182.1060 -108601.2311 299.5130 -198.6747 -165.3348 764061.8804 -4.0166 -4.0626 PRESSURE: 1042600 -0.463841 -107.895 111.947 -107.896 -179.61 151.084 111.947 151.085 -3.46077 GPRESSURE: 1042600 -49.2623 -182.493 110.267 -183.245 -76.0778 163.317 9.55748 6.53108 16.2495 PRESSAVG: 1042600 -28.98 -36.7371 -1.45359 -36.7372 7.76153 14.667 -1.45356 14.667 -7.9051 GPRESSAVG: 1042600 -29.422 -36.3809 -0.310578 -37.5041 8.13947 16.1163 -1.93493 11.1041 -7.16075 TIMING: 1042600 CPU: 3251.72, 0.00311865/step Wall: 3251.72, 0.00311865/step, 3.42826 hours remaining, 233.929688 MB of memory in use. ENERGY: 1042600 3971.9625 20284.4065 14467.1607 254.9323 -203476.5691 2882.8630 0.0000 0.0000 52602.2622 -109012.9820 302.3059 -161615.2441 -108638.8211 299.4147 -61.1783 -36.3635 763526.7258 -9.7078 -9.4811 PRESSURE: 1042800 -255.511 14.4554 40.0343 14.4543 -246.155 -68.4722 40.0341 -68.4713 -74.9175 GPRESSURE: 1042800 -163.827 94.2057 -18.8023 -14.8717 -212.415 48.1434 39.9263 -161.776 -115.787 PRESSAVG: 1042800 39.504 -35.0109 -14.0252 -35.0109 -45.1129 -31.7805 -14.0252 -31.7805 -0.609379 GPRESSAVG: 1042800 41.372 -36.86 -16.8353 -33.8644 -46.4936 -33.9436 -14.2602 -29.6651 -1.59196 TIMING: 1042800 CPU: 3252.34, 0.0031176/step Wall: 3252.34, 0.0031176/step, 3.42694 hours remaining, 233.929688 MB of memory in use. ENERGY: 1042800 3988.2790 20365.1981 14431.9239 261.1471 -202824.6803 2737.5973 0.0000 0.0000 51916.3972 -109124.1377 298.3642 -161040.5349 -108752.4388 299.1401 -192.1944 -164.0099 765035.7329 -2.0728 -2.2379 PRESSURE: 1043000 142.835 9.2298 -200.251 9.22956 289.149 75.6453 -200.251 75.6444 255.707 GPRESSURE: 1043000 195.491 49.9118 -164.39 19.845 299.57 111.333 -89.769 -11.3593 250.289 PRESSAVG: 1043000 21.5071 -28.5465 -23.224 -28.5465 -43.7088 4.05777 -23.2239 4.05773 -8.22505 GPRESSAVG: 1043000 19.9706 -26.4707 -20.7769 -30.2683 -43.4808 5.73255 -23.706 1.65456 -7.2158 TIMING: 1043000 CPU: 3252.97, 0.00311341/step Wall: 3252.97, 0.00311341/step, 3.42215 hours remaining, 233.929688 MB of memory in use. ENERGY: 1043000 3913.4663 20549.1952 14473.2371 251.8991 -203795.7084 3276.9418 0.0000 0.0000 52164.9647 -109166.0044 299.7928 -161330.9690 -108813.1754 298.9343 229.2302 248.4502 762593.9734 -10.1423 -10.2420 PRESSURE: 1043200 -273.281 -45.1958 202.907 -45.1956 -134.396 -86.9876 202.907 -86.9903 -506.287 GPRESSURE: 1043200 -197.427 -157.504 273.34 -74.5721 -177.731 -61.8078 96.1939 -22.118 -476.052 PRESSAVG: 1043200 43.7376 -13.5181 31.2372 -13.5181 -23.1097 15.4681 31.2372 15.4681 2.53223 GPRESSAVG: 1043200 44.108 -14.0053 30.8158 -12.6268 -22.4294 13.0246 32.3777 16.5559 1.24942 TIMING: 1043200 CPU: 3253.59, 0.00311703/step Wall: 3253.59, 0.00311703/step, 3.42597 hours remaining, 233.929688 MB of memory in use. ENERGY: 1043200 3979.5143 20490.3098 14456.7957 249.5796 -202877.3761 2389.1897 0.0000 0.0000 52112.3958 -109199.5912 299.4907 -161311.9871 -108833.8503 298.9857 -304.6549 -283.7365 763958.1141 7.7200 7.6427 PRESSURE: 1043400 -137.252 -4.4728 4.78636 -4.47397 -69.6672 -146.334 4.78622 -146.334 157.847 GPRESSURE: 1043400 -79.064 50.6486 -1.67991 14.1992 0.771222 -121.723 63.593 -34.694 120.085 PRESSAVG: 1043400 -22.7674 9.60291 -27.1131 9.60291 28.3906 -23.3252 -27.1131 -23.3252 14.4626 GPRESSAVG: 1043400 -24.4749 10.8679 -25.1745 8.48071 29.3864 -21.8579 -28.2136 -20.4825 15.0237 TIMING: 1043400 CPU: 3254.21, 0.00312668/step Wall: 3254.21, 0.00312668/step, 3.43639 hours remaining, 233.929688 MB of memory in use. ENERGY: 1043400 4048.8528 20422.9100 14431.3200 255.4898 -203085.4550 2795.2489 0.0000 0.0000 51869.8363 -109261.7972 298.0967 -161131.6334 -108895.9024 298.8831 -16.3576 13.9308 763844.6228 6.6953 6.6451 PRESSURE: 1043600 158.07 -169.819 53.7875 -169.82 -246.825 -217.233 53.7871 -217.233 142.968 GPRESSURE: 1043600 223.805 -222.081 6.74857 -95.1886 -198.365 -199.371 73.2376 -286.64 98.9409 PRESSAVG: 1043600 26.622 9.98447 -0.420613 9.98451 -27.8042 -20.5802 -0.420634 -20.5801 -34.5236 GPRESSAVG: 1043600 27.1996 7.3006 -1.30795 13.4761 -27.9241 -20.8034 0.000867572 -23.3814 -35.315 TIMING: 1043600 CPU: 3254.84, 0.00312807/step Wall: 3254.84, 0.00312807/step, 3.43775 hours remaining, 233.929688 MB of memory in use. ENERGY: 1043600 3979.0750 20346.9011 14421.7783 224.5853 -203248.3540 2910.4520 0.0000 0.0000 51969.8104 -109395.7518 298.6712 -161365.5623 -109037.6443 299.1503 18.0710 41.4602 764191.5038 -11.9019 -12.0132 PRESSURE: 1043800 -46.4233 275.292 126.269 275.292 -306.777 12.6972 126.269 12.6976 90.0377 GPRESSURE: 1043800 -58.2797 186.037 67.7326 174.456 -210.905 -44.8165 217.244 138.952 84.8646 PRESSAVG: 1043800 15.0205 -0.845184 31.1858 -0.845091 37.23 3.35135 31.1858 3.35142 13.2999 GPRESSAVG: 1043800 15.2374 -0.156977 29.3621 -3.45571 36.1124 3.15902 33.5534 3.36111 13.8791 TIMING: 1043800 CPU: 3255.47, 0.00313526/step Wall: 3255.47, 0.00313526/step, 3.44548 hours remaining, 233.929688 MB of memory in use. ENERGY: 1043800 4000.8826 20388.4738 14463.8367 243.8688 -203424.9921 2630.7376 0.0000 0.0000 52299.3099 -109397.8827 300.5649 -161697.1926 -109028.4496 298.7227 -87.7211 -61.4399 762367.7718 21.8502 21.7430 PRESSURE: 1044000 69.345 120.272 104.395 120.272 -131.484 -184.128 104.395 -184.127 180.764 GPRESSURE: 1044000 99.1733 185.404 159.379 187.965 -28.1744 -169.159 7.07112 -173.383 119.429 PRESSAVG: 1044000 -15.2518 11.4476 8.70777 11.4475 -4.21296 6.9358 8.70771 6.93583 12.8788 GPRESSAVG: 1044000 -13.7662 11.6025 9.63725 10.9614 -5.17817 6.51489 7.6442 8.4095 12.3002 TIMING: 1044000 CPU: 3256.09, 0.00313102/step Wall: 3256.09, 0.00313103/step, 3.44065 hours remaining, 233.929688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1044000 3898.5490 20469.9557 14540.0133 254.7909 -203182.3771 2602.0934 0.0000 0.0000 51909.6699 -109507.3048 298.3256 -161416.9747 -109157.4960 298.8376 39.5417 63.4759 761786.2827 -2.1953 -2.2147 PRESSURE: 1044200 -36.4199 -189.133 46.6222 -189.133 -62.959 -127.144 46.6217 -127.145 -146.304 GPRESSURE: 1044200 20.8332 -165.979 98.7467 -232.11 -67.4117 -91.0431 61.0488 -175.045 -132.439 PRESSAVG: 1044200 5.84074 -39.9584 48.7357 -39.9583 55.5309 34.8456 48.7358 34.8457 -5.56533 GPRESSAVG: 1044200 2.84865 -38.6146 48.3365 -40.5449 58.1871 36.586 47.4834 33.0198 -4.84378 TIMING: 1044200 CPU: 3256.72, 0.00312714/step Wall: 3256.72, 0.00312714/step, 3.4362 hours remaining, 233.929688 MB of memory in use. ENERGY: 1044200 3942.9511 20477.3643 14453.6121 246.3053 -203137.5952 2775.9841 0.0000 0.0000 51961.9865 -109279.3918 298.6263 -161241.3783 -108924.6961 299.0385 -81.8942 -59.6724 763914.7785 18.6021 18.7307 LDB: ============= START OF LOAD BALANCING ============== 3269.2 LDB: ============== END OF LOAD BALANCING =============== 3269.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3269.2 LDB: ============= START OF LOAD BALANCING ============== 3269.51 LDB: Largest compute 6972 load 0.032943 is 16.9% of average load 0.195087 LDB: Average compute 0.004389 is 2.2% of average load 0.195087 LDB: TIME 3269.52 LOAD: AVG 0.195087 MAX 0.215941 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.008 MB LDB: TIME 3269.52 LOAD: AVG 0.195087 MAX 0.215941 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.078 MB LDB: TIME 3269.52 LOAD: AVG 0.195087 MAX 0.215941 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.078 MB LDB: ============== END OF LOAD BALANCING =============== 3269.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3269.52 PRESSURE: 1044400 -101.416 -137.99 -102.157 -137.99 120.607 101.29 -102.157 101.291 248.734 GPRESSURE: 1044400 -102.596 -53.6308 -80.8381 -233.929 211.122 68.5968 -108.041 -51.5187 234.041 PRESSAVG: 1044400 -21.8532 -42.2418 17.1387 -42.2417 62.7103 -38.1032 17.1387 -38.1032 -6.19959 GPRESSAVG: 1044400 -19.6585 -44.0636 17.1283 -40.2136 61.4433 -38.8655 16.9336 -37.6806 -6.91125 TIMING: 1044400 CPU: 3257.36, 0.00319684/step Wall: 3257.36, 0.00319684/step, 3.51262 hours remaining, 233.789062 MB of memory in use. ENERGY: 1044400 3971.0961 20576.8504 14457.2448 267.1583 -203553.5581 2781.2027 0.0000 0.0000 52268.7071 -109231.2987 300.3890 -161500.0059 -108868.4552 299.3260 89.3081 114.1892 762561.9323 11.5525 11.6245 PRESSURE: 1044600 -358.853 -68.1476 -19.042 -68.1474 211.061 12.6986 -19.0423 12.698 -360.855 GPRESSURE: 1044600 -255.833 -41.8499 -80.1394 -55.3389 225.732 24.5388 57.8883 -65.925 -380.751 PRESSAVG: 1044600 -64.2814 -40.8336 31.5977 -40.8336 69.0239 55.8165 31.5977 55.8165 6.06324 GPRESSAVG: 1044600 -64.9321 -42.3359 33.6048 -39.5042 68.4482 53.9537 33.6768 58.0216 6.90622 TIMING: 1044600 CPU: 3257.98, 0.00312674/step Wall: 3257.98, 0.00312674/step, 3.43542 hours remaining, 233.789062 MB of memory in use. ENERGY: 1044600 4037.8343 20420.3976 14406.6996 255.3396 -203002.2722 2657.6922 0.0000 0.0000 52196.7157 -109027.5933 299.9752 -161224.3090 -108667.4338 299.0748 -169.5491 -136.9507 763479.2614 3.6019 3.4741 PRESSURE: 1044800 153.002 6.42669 14.577 6.42661 -35.8385 151.363 14.5776 151.362 -469.179 GPRESSURE: 1044800 179.675 119.221 43.4222 -69.8185 9.4394 255.188 -33.0807 113.77 -469.313 PRESSAVG: 1044800 -58.3271 -28.1801 4.1043 -28.18 46.4991 37.0727 4.10432 37.0727 4.94944 GPRESSAVG: 1044800 -57.3045 -26.8517 1.80734 -29.9542 45.7012 39.8751 3.7352 35.8434 4.77232 TIMING: 1044800 CPU: 3258.61, 0.00312208/step Wall: 3258.61, 0.00312208/step, 3.43012 hours remaining, 233.789062 MB of memory in use. ENERGY: 1044800 4018.8633 20434.8809 14432.1029 246.8578 -203273.1607 2679.7915 0.0000 0.0000 52154.7795 -109305.8848 299.7342 -161460.6643 -108935.1090 299.1048 -117.3385 -93.3999 764069.6538 -2.2929 -2.2770 PRESSURE: 1045000 3.67102 70.0203 -30.0432 70.0212 116.121 28.1271 -30.0434 28.1286 42.3461 GPRESSURE: 1045000 57.2828 26.612 21.6267 -46.839 112.506 -15.0482 -66.4017 -117.911 88.7559 PRESSAVG: 1045000 -17.9871 -28.5972 25.5622 -28.5972 25.6605 65.6469 25.5622 65.6469 -20.3543 GPRESSAVG: 1045000 -19.7667 -29.051 27.3346 -29.0195 26.2533 64.4053 24.2299 63.3083 -19.4054 TIMING: 1045000 CPU: 3259.23, 0.00312577/step Wall: 3259.23, 0.00312577/step, 3.434 hours remaining, 233.789062 MB of memory in use. ENERGY: 1045000 3959.4575 20413.6732 14498.4261 256.4604 -203506.4793 2930.3445 0.0000 0.0000 52058.8635 -109389.2541 299.1830 -161448.1176 -109027.4923 299.0746 54.0462 86.1816 762882.2327 -4.2270 -4.3062 PRESSURE: 1045200 -136.116 -87.9409 -119.012 -87.9409 -5.91086 -231.59 -119.013 -231.589 504.067 GPRESSURE: 1045200 28.3313 -124.736 -79.2291 21.6273 -75.4814 -230.517 -179.021 -220.173 493.41 PRESSAVG: 1045200 -44.2169 -2.88768 6.28189 -2.88765 12.2302 -3.11044 6.28192 -3.11045 -1.96315 GPRESSAVG: 1045200 -43.7783 -1.86293 5.4369 -2.53329 11.763 -2.66894 5.80085 -2.80439 -2.35558 TIMING: 1045200 CPU: 3259.86, 0.00313659/step Wall: 3259.86, 0.00313659/step, 3.44572 hours remaining, 233.789062 MB of memory in use. ENERGY: 1045200 4006.5507 20418.6239 14439.0893 247.8605 -203070.8754 2749.5342 0.0000 0.0000 51981.4364 -109227.7805 298.7380 -161209.2169 -108858.1280 298.6964 120.6802 148.7533 762824.4182 -11.3166 -11.4570 PRESSURE: 1045400 90.0261 224.156 84.0448 224.156 182.46 271.196 84.0434 271.195 201.989 GPRESSURE: 1045400 32.8118 138.456 -17.4631 232.385 213.615 320.874 100.39 206.03 315.033 PRESSAVG: 1045400 -17.6882 5.61836 -19.256 5.61835 11.2011 23.8664 -19.2561 23.8665 8.08492 GPRESSAVG: 1045400 -16.2126 7.09995 -20.5051 6.08446 9.84562 22.7916 -18.0166 25.3138 7.90906 TIMING: 1045400 CPU: 3260.48, 0.00312492/step Wall: 3260.48, 0.00312492/step, 3.43273 hours remaining, 233.789062 MB of memory in use. ENERGY: 1045400 3968.8774 20362.0980 14451.0201 256.1413 -202627.0365 2326.4630 0.0000 0.0000 52189.5841 -109072.8526 299.9343 -161262.4367 -108707.3272 298.9160 158.1582 187.1534 763618.9646 0.5326 0.5140 PRESSURE: 1045600 7.63479 -189.818 40.8866 -189.817 -51.6944 -389.009 40.8862 -389.008 124.698 GPRESSURE: 1045600 39.6979 -192.339 78.765 -54.85 9.45716 -390.295 -96.3855 -248.797 89.7783 PRESSAVG: 1045600 -43.6957 -21.9515 0.658856 -21.9515 36.3944 -8.41084 0.658842 -8.41081 6.9172 GPRESSAVG: 1045600 -45.6128 -22.7909 1.09371 -22.7582 37.4186 -8.01915 0.246998 -7.19015 7.57287 TIMING: 1045600 CPU: 3261.11, 0.00312125/step Wall: 3261.11, 0.00312125/step, 3.42852 hours remaining, 233.789062 MB of memory in use. ENERGY: 1045600 3890.9806 20627.0586 14512.1094 250.7266 -203386.5902 2917.4668 0.0000 0.0000 52067.5689 -109120.6792 299.2330 -161188.2481 -108766.1717 299.6719 26.8794 46.3111 762357.6484 -0.1280 -0.2071 PRESSURE: 1045800 -297.628 -107.483 -49.0418 -107.484 121.414 -12.8176 -49.0416 -12.8171 289.297 GPRESSURE: 1045800 -168.729 -50.2383 -31.1755 -171.478 102.456 -32.6286 -210.367 -28.2906 291.682 PRESSAVG: 1045800 3.26425 -65.5908 -20.9641 -65.5908 -0.292365 12.3166 -20.9641 12.3166 2.12709 GPRESSAVG: 1045800 4.25178 -66.6856 -19.9778 -65.9683 0.559324 11.9323 -21.9315 10.5843 0.940966 TIMING: 1045800 CPU: 3261.73, 0.00312782/step Wall: 3261.73, 0.00312782/step, 3.43556 hours remaining, 233.789062 MB of memory in use. ENERGY: 1045800 3986.3172 20358.4230 14535.3729 244.3231 -203246.6333 2810.0873 0.0000 0.0000 52145.0815 -109167.0283 299.6785 -161312.1098 -108807.7853 299.7885 37.6942 75.1365 760084.0879 1.6997 1.9174 PRESSURE: 1046000 15.8944 -70.0637 -58.1239 -70.0641 -338.551 -53.2483 -58.1233 -53.2471 53.3684 GPRESSURE: 1046000 33.3155 1.92494 -56.2495 -136.864 -293.242 -96.1336 -66.2848 -20.6961 90.3574 PRESSAVG: 1046000 12.7406 15.4362 15.618 15.4362 5.34401 -11.8334 15.6181 -11.8334 0.200522 GPRESSAVG: 1046000 14.6793 16.1358 15.9234 15.9129 3.62235 -11.7292 15.113 -12.7179 0.321322 TIMING: 1046000 CPU: 3262.36, 0.0031302/step Wall: 3262.36, 0.0031302/step, 3.438 hours remaining, 233.789062 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: 1046000 3979.7469 20652.3018 14496.5548 259.6699 -203105.9263 2554.4937 0.0000 0.0000 52188.3815 -108974.7778 299.9273 -161163.1593 -108617.0194 299.2150 -89.7626 -56.5230 762975.3399 6.0950 6.2076 PRESSURE: 1046200 -102.573 -127.023 226.119 -127.023 -65.8487 -180.266 226.119 -180.266 61.4838 GPRESSURE: 1046200 -16.9414 -241.774 219.419 -35.27 -127.572 -144.871 170.832 -256.911 126.295 PRESSAVG: 1046200 25.347 -23.2435 0.934721 -23.2435 -19.3607 -42.019 0.934723 -42.019 -4.47039 GPRESSAVG: 1046200 23.9529 -26.0237 1.1854 -24.667 -18.1894 -40.8071 2.9729 -40.0319 -4.30825 TIMING: 1046200 CPU: 3262.99, 0.00313709/step Wall: 3262.99, 0.00313709/step, 3.4454 hours remaining, 233.789062 MB of memory in use. ENERGY: 1046200 3994.9096 20506.1701 14523.1935 236.6070 -203051.4395 2682.5972 0.0000 0.0000 52145.1402 -108962.8219 299.6788 -161107.9621 -108593.7449 299.6393 -35.6461 -6.0729 762559.2795 0.5053 0.4851 PRESSURE: 1046400 -142.535 70.6995 241.243 70.7 -253.963 141.074 241.243 141.075 -44.2269 GPRESSURE: 1046400 -39.4724 48.0316 239.675 -83.5435 -235.934 157.962 254.111 110.033 -83.9779 PRESSAVG: 1046400 38.8171 13.936 8.42185 13.936 -80.8176 -4.15327 8.4219 -4.15326 17.7414 GPRESSAVG: 1046400 37.7896 15.5027 9.21868 15.8229 -80.0839 -4.66324 7.45292 -6.43099 18.4852 TIMING: 1046400 CPU: 3263.61, 0.00312545/step Wall: 3263.61, 0.00312545/step, 3.43243 hours remaining, 233.789062 MB of memory in use. ENERGY: 1046400 3995.1817 20629.7369 14496.7569 243.2720 -202832.5162 2492.9878 0.0000 0.0000 51955.0056 -109019.5754 298.5861 -160974.5810 -108658.2933 299.6376 -146.9083 -119.7949 762792.0981 -8.0864 -7.9364 PRESSURE: 1046600 -290.931 -31.6289 84.4281 -31.6291 -30.023 65.5914 84.4279 65.592 30.5663 GPRESSURE: 1046600 -275.438 -98.4863 209.135 -19.4728 39.3922 79.8766 -44.0886 22.456 36.8263 PRESSAVG: 1046600 -15.9896 -16.7215 -4.91916 -16.7215 -38.0276 -37.4194 -4.91923 -37.4193 -7.46498 GPRESSAVG: 1046600 -15.4845 -15.8977 -5.31622 -16.9284 -38.0699 -36.727 -4.82849 -36.4767 -8.05792 TIMING: 1046600 CPU: 3264.24, 0.00310926/step Wall: 3264.24, 0.00310926/step, 3.41448 hours remaining, 233.789062 MB of memory in use. ENERGY: 1046600 3968.8295 20527.3910 14466.8951 249.7503 -203232.0450 2816.0538 0.0000 0.0000 52349.4631 -108853.6623 300.8531 -161203.1253 -108493.4940 299.4894 -96.7958 -66.4065 763294.8630 -20.4941 -20.5374 PRESSURE: 1046800 -196.589 0.793877 153.406 0.792954 -345.047 92.6357 153.406 92.6356 -261.156 GPRESSURE: 1046800 -88.4821 55.0519 151.652 -63.91 -287.434 200.114 74.2435 141.527 -319.461 PRESSAVG: 1046800 -26.0919 31.3882 -0.744525 31.3882 -15.3925 -15.8914 -0.74455 -15.8914 17.8859 GPRESSAVG: 1046800 -25.8339 33.2284 -0.0516522 29.9862 -15.2831 -16.2363 -1.58755 -13.5972 18.3303 TIMING: 1046800 CPU: 3264.86, 0.00312519/step Wall: 3264.86, 0.00312519/step, 3.43181 hours remaining, 233.789062 MB of memory in use. ENERGY: 1046800 3973.6868 20471.3502 14455.5818 255.3492 -202604.7500 2321.0161 0.0000 0.0000 52231.6158 -108896.1501 300.1758 -161127.7659 -108522.0540 299.7564 -267.5975 -231.7925 762759.6935 -7.8661 -7.5955 PRESSURE: 1047000 -392.297 219.732 47.8923 219.733 -328.739 -184.924 47.8926 -184.924 -68.7354 GPRESSURE: 1047000 -398.079 213.146 99.1601 193.166 -287.824 -260.751 141.742 -236.287 -15.1613 PRESSAVG: 1047000 -14.2012 2.69099 46.0684 2.691 -14.962 -39.5966 46.0684 -39.5966 -6.96468 GPRESSAVG: 1047000 -13.6798 1.22189 45.6662 3.41001 -15.152 -40.6259 47.9256 -41.5252 -6.93536 TIMING: 1047000 CPU: 3265.49, 0.00312709/step Wall: 3265.49, 0.00312709/step, 3.43372 hours remaining, 233.789062 MB of memory in use. ENERGY: 1047000 4022.7836 20412.1717 14431.3123 248.9840 -202936.5640 2746.9924 0.0000 0.0000 52107.0310 -108967.2890 299.4598 -161074.3200 -108606.9405 299.6258 -263.2574 -233.6882 763221.9126 -12.0426 -11.9224 PRESSURE: 1047200 -493.985 -0.504006 -196.902 -0.502829 300.868 65.0465 -196.902 65.0474 81.8308 GPRESSURE: 1047200 -358.849 15.2407 -186.888 -110.488 236.096 183.008 -228.923 167.497 102.502 PRESSAVG: 1047200 -48.5138 -22.2731 32.1639 -22.2731 23.344 -2.79681 32.1638 -2.79681 1.51939 GPRESSAVG: 1047200 -47.1042 -23.4598 32.115 -21.8151 23.1627 -0.206491 32.9862 -3.0017 0.161037 TIMING: 1047200 CPU: 3266.11, 0.00312425/step Wall: 3266.11, 0.00312425/step, 3.43043 hours remaining, 233.789062 MB of memory in use. ENERGY: 1047200 3989.4698 20551.5868 14450.2126 244.2654 -203305.1054 2781.8832 0.0000 0.0000 52338.7889 -108948.8987 300.7917 -161287.6876 -108584.9153 300.1269 -37.0953 -6.7504 762565.0862 -7.8835 -7.9268 PRESSURE: 1047400 -349.596 -161.082 230.768 -161.081 -152.961 -120.026 230.768 -120.026 -46.1985 GPRESSURE: 1047400 -361.934 -132.741 186.611 -112.144 -88.6841 -206.395 147.146 -93.2345 -13.1569 PRESSAVG: 1047400 -30.7477 1.71412 -24.0397 1.71414 28.8515 -14.038 -24.0397 -14.0379 -9.13406 GPRESSAVG: 1047400 -31.1753 3.08364 -25.0758 0.688429 27.0789 -16.7561 -25.3496 -11.8253 -7.22809 TIMING: 1047400 CPU: 3266.74, 0.00312654/step Wall: 3266.74, 0.00312654/step, 3.43277 hours remaining, 233.789062 MB of memory in use. ENERGY: 1047400 4008.3685 20562.5971 14440.9178 249.2265 -203290.2924 2742.0794 0.0000 0.0000 52234.5249 -109052.5782 300.1925 -161287.1031 -108690.7097 299.7285 -182.9185 -154.5918 763078.0393 -3.6767 -3.7748 PRESSURE: 1047600 -362.38 -237.233 -71.2276 -237.234 -394.831 -91.9323 -71.2287 -91.9323 -209.509 GPRESSURE: 1047600 -338.883 -205.156 -57.8146 -177.391 -351.605 -18.7605 7.67883 -67.3044 -193.645 PRESSAVG: 1047600 5.32581 -92.5823 51.2301 -92.5823 2.94047 -34.8801 51.2301 -34.8802 -7.92713 GPRESSAVG: 1047600 5.30835 -93.3959 52.1916 -92.2167 3.77319 -33.9338 50.8987 -35.5279 -9.15925 TIMING: 1047600 CPU: 3267.36, 0.00313497/step Wall: 3267.36, 0.00313498/step, 3.44185 hours remaining, 233.789062 MB of memory in use. ENERGY: 1047600 3957.7304 20652.6267 14464.9510 235.2039 -203305.4671 2742.9798 0.0000 0.0000 51968.3174 -109283.6579 298.6626 -161251.9753 -108911.7932 299.3662 -322.2402 -294.7106 763095.1873 0.1130 -0.0259 PRESSURE: 1047800 -289.415 58.3434 216.78 58.3441 -351.953 -8.75871 216.78 -8.7591 218.111 GPRESSURE: 1047800 -297.355 29.5671 218.933 109.95 -271.426 -6.14056 142.411 85.177 224.444 PRESSAVG: 1047800 -6.1583 -13.7459 29.5528 -13.7459 -0.0174925 -57.5229 29.5528 -57.523 8.0842 GPRESSAVG: 1047800 -7.10607 -13.9608 28.6169 -11.9214 1.42204 -60.1613 29.9779 -58.7094 7.7615 TIMING: 1047800 CPU: 3267.99, 0.00312478/step Wall: 3267.99, 0.00312478/step, 3.43049 hours remaining, 233.789062 MB of memory in use. ENERGY: 1047800 4021.6732 20510.1236 14434.2680 247.5499 -203367.1813 2795.4730 0.0000 0.0000 52278.1243 -109079.9692 300.4431 -161358.0935 -108707.4865 299.5288 -141.0859 -114.7790 764066.7719 0.6361 0.6925 PRESSURE: 1048000 -272.372 -110.011 -0.480278 -110.012 -215.819 27.2529 -0.480565 27.2529 -542.285 GPRESSURE: 1048000 -322.127 -146.232 3.38578 -52.5924 -204.29 -24.7984 17.0544 200.839 -414.516 PRESSAVG: 1048000 -3.27046 48.1801 12.6643 48.1801 9.69789 6.57068 12.6643 6.57059 26.3836 GPRESSAVG: 1048000 -2.92403 48.939 10.9203 45.6124 8.87504 8.81188 12.8045 9.20288 26.4975 TIMING: 1048000 CPU: 3268.61, 0.00313144/step Wall: 3268.61, 0.00313144/step, 3.43763 hours remaining, 233.789062 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: 1048000 4015.4844 20519.0586 14426.4334 253.8187 -203191.0471 2628.7661 0.0000 0.0000 52096.4908 -109250.9951 299.3992 -161347.4859 -108886.1907 299.4781 -343.4919 -313.6443 762651.7275 10.9370 10.8162 PRESSURE: 1048200 -319.897 -31.8681 -21.7596 -31.8681 -319.192 7.65844 -21.7597 7.65924 -59.6608 GPRESSURE: 1048200 -272.475 -52.2694 -41.0539 86.9015 -206.261 55.8491 13.0227 -62.9365 -112.481 PRESSAVG: 1048200 -36.6663 23.7995 -36.1593 23.7995 -0.188503 -15.6156 -36.1594 -15.6156 -33.1423 GPRESSAVG: 1048200 -36.989 23.5578 -33.4399 24.1174 -0.344493 -15.1618 -36.2984 -17.5163 -32.9771 TIMING: 1048200 CPU: 3269.24, 0.0031294/step Wall: 3269.24, 0.0031294/step, 3.43521 hours remaining, 233.789062 MB of memory in use. ENERGY: 1048200 4037.6293 20514.9966 14446.9398 267.5459 -203150.8494 2556.7293 0.0000 0.0000 52221.1406 -109105.8680 300.1156 -161327.0085 -108741.0094 299.6717 -232.9166 -197.0723 763395.5008 -23.3324 -23.4368 LDB: ============= START OF LOAD BALANCING ============== 3281.72 LDB: ============== END OF LOAD BALANCING =============== 3281.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3281.72 LDB: ============= START OF LOAD BALANCING ============== 3282.03 LDB: Largest compute 6972 load 0.031698 is 16.3% of average load 0.194978 LDB: Average compute 0.004398 is 2.3% of average load 0.194978 LDB: TIME 3282.04 LOAD: AVG 0.194978 MAX 0.212929 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.238 MB LDB: TIME 3282.04 LOAD: AVG 0.194978 MAX 0.212929 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.438 MB LDB: TIME 3282.04 LOAD: AVG 0.194978 MAX 0.212929 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.438 MB LDB: ============== END OF LOAD BALANCING =============== 3282.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3282.04 PRESSURE: 1048400 145.159 -60.3168 44.2543 -60.316 411.519 -417.829 44.2541 -417.829 287.512 GPRESSURE: 1048400 132.917 -140.282 76.6995 17.2538 406.799 -357.101 -11.8016 -249.444 367.631 PRESSAVG: 1048400 -45.3056 -15.5851 -19.543 -15.5851 41.4789 -10.0099 -19.543 -10.0099 21.8603 GPRESSAVG: 1048400 -45.5063 -16.1133 -20.147 -15.6069 41.1164 -10.946 -18.7137 -10.6391 22.5284 TIMING: 1048400 CPU: 3269.88, 0.00319529/step Wall: 3269.88, 0.00319529/step, 3.50737 hours remaining, 233.726562 MB of memory in use. ENERGY: 1048400 4067.3301 20472.1632 14451.4109 274.2266 -203513.0055 3006.6744 0.0000 0.0000 52053.1548 -109188.0455 299.1502 -161241.2004 -108818.5200 299.3084 281.3967 302.4494 762509.5182 6.0112 6.0461 PRESSURE: 1048600 354.317 -10.4292 -1.64422 -10.4298 -116.697 -97.4559 -1.64361 -97.4565 -57.8885 GPRESSURE: 1048600 340.919 -4.68407 -33.1664 -48.9924 -71.5892 -117.896 -83.7429 -94.4838 -29.1192 PRESSAVG: 1048600 -25.2248 8.31423 -41.8665 8.31423 11.7481 -2.88885 -41.8664 -2.8887 8.2738 GPRESSAVG: 1048600 -24.1831 9.63771 -42.4436 8.22308 12.4467 -1.5465 -42.9293 -3.04055 6.38728 TIMING: 1048600 CPU: 3270.51, 0.00315348/step Wall: 3270.51, 0.00315348/step, 3.46129 hours remaining, 233.726562 MB of memory in use. ENERGY: 1048600 3904.4022 20500.4220 14517.9654 273.0608 -203419.7236 2971.6904 0.0000 0.0000 52031.0815 -109221.1012 299.0233 -161252.1827 -108847.1441 299.5127 59.9105 80.0701 762973.9694 -1.7343 -1.7831 PRESSURE: 1048800 185.588 -81.1679 26.129 -81.1684 49.4134 -29.6 26.1282 -29.5988 384.718 GPRESSURE: 1048800 137.78 -112.382 8.12582 -125.047 169.688 -13.1497 55.8136 63.6431 390.89 PRESSAVG: 1048800 -33.7883 -35.6111 -25.289 -35.6111 4.97062 22.6038 -25.289 22.6038 -17.2067 GPRESSAVG: 1048800 -34.5975 -35.9388 -23.9415 -34.5719 5.4207 21.3389 -25.6167 23.2483 -17.1778 TIMING: 1048800 CPU: 3271.14, 0.00313569/step Wall: 3271.14, 0.00313569/step, 3.44159 hours remaining, 233.726562 MB of memory in use. ENERGY: 1048800 3937.9918 20403.3317 14486.9494 257.2199 -202715.6705 2634.5630 0.0000 0.0000 51933.3642 -109062.2503 298.4618 -160995.6146 -108697.3691 299.0329 206.5732 232.7856 763656.8882 -15.3414 -15.4515 PRESSURE: 1049000 140.419 188.454 -187.584 188.454 420.535 14.9497 -187.585 14.9503 152.284 GPRESSURE: 1049000 226.399 150.893 -89.899 146.883 392.111 -51.2566 -123.258 81.4877 155.895 PRESSAVG: 1049000 -48.5863 -40.8199 -47.8567 -40.8199 59.4006 -13.0446 -47.8567 -13.0446 -20.0545 GPRESSAVG: 1049000 -47.9108 -41.7604 -48.3459 -40.7984 57.6809 -11.6911 -47.064 -13.5228 -19.1069 TIMING: 1049000 CPU: 3271.76, 0.00312625/step Wall: 3271.76, 0.00312625/step, 3.43106 hours remaining, 233.726562 MB of memory in use. ENERGY: 1049000 3970.4745 20291.8897 14470.8508 240.7881 -203245.8088 2911.9446 0.0000 0.0000 52249.0276 -109110.8337 300.2759 -161359.8613 -108748.4787 298.9133 237.7459 258.1352 761605.5605 -3.0801 -3.1123 PRESSURE: 1049200 -114.303 -144.431 99.0184 -144.43 121.464 113.712 99.0188 113.712 -45.6071 GPRESSURE: 1049200 -135.881 -37.812 125.04 -161.929 243.037 138.692 31.4274 185.479 -69.4123 PRESSAVG: 1049200 2.2329 3.92163 -38.8474 3.92173 7.87633 37.847 -38.8474 37.847 12.4854 GPRESSAVG: 1049200 1.74522 4.54774 -39.2695 4.10112 9.10705 38.1476 -40.5801 38.8959 12.0555 TIMING: 1049200 CPU: 3272.39, 0.00313414/step Wall: 3272.39, 0.00313414/step, 3.43954 hours remaining, 233.726562 MB of memory in use. ENERGY: 1049200 3944.3191 20467.7985 14438.5058 244.2273 -202688.8096 2385.2991 0.0000 0.0000 52046.4143 -109162.2455 299.1115 -161208.6598 -108809.1845 298.9241 -12.8156 12.5812 763450.6627 7.5315 7.6359 PRESSURE: 1049400 -67.4414 86.6494 124.586 86.6497 27.9577 -128.72 124.586 -128.72 23.1011 GPRESSURE: 1049400 4.53125 119.965 119.561 177.721 143.594 -106.529 135.536 -237.606 -79.5279 PRESSAVG: 1049400 35.211 -30.6869 -33.6046 -30.6869 -15.7985 4.52619 -33.6046 4.52615 0.938777 GPRESSAVG: 1049400 33.4819 -31.7134 -34.7294 -29.7347 -15.5861 4.59732 -33.6252 3.74302 1.92444 TIMING: 1049400 CPU: 3273.01, 0.00313052/step Wall: 3273.01, 0.00313052/step, 3.4354 hours remaining, 233.726562 MB of memory in use. ENERGY: 1049400 3873.3376 20327.8130 14408.2420 246.0215 -203016.3482 2793.2496 0.0000 0.0000 52177.3643 -109190.3202 299.8640 -161367.6845 -108818.5262 298.7028 -5.4609 22.8658 763311.2378 6.7837 6.6068 PRESSURE: 1049600 30.7882 -152.095 151.794 -152.096 -186.859 37.6049 151.794 37.6048 -198.556 GPRESSURE: 1049600 -28.4174 -217.325 152.208 -154.275 -81.884 70.2996 287.967 73.4969 -174.567 PRESSAVG: 1049600 23.2166 -32.7425 7.37326 -32.7425 20.2229 20.3365 7.37331 20.3365 -3.47025 GPRESSAVG: 1049600 24.6344 -31.1462 9.96354 -33.2152 20.4928 19.9565 6.77846 19.4638 -4.79829 TIMING: 1049600 CPU: 3273.64, 0.00312505/step Wall: 3273.64, 0.00312505/step, 3.42922 hours remaining, 233.726562 MB of memory in use. ENERGY: 1049600 3985.3772 20384.7695 14439.8519 225.8587 -203307.0245 2817.5707 0.0000 0.0000 52268.9472 -109184.6491 300.3904 -161453.5963 -108804.8031 299.2820 -118.2091 -94.9561 763043.0237 13.3231 13.4430 PRESSURE: 1049800 0.20545 -56.3626 -36.734 -56.362 -212.613 -13.2671 -36.7332 -13.2671 -197.323 GPRESSURE: 1049800 -13.4934 -51.1572 17.4458 76.7759 -60.762 -10.1055 -86.257 0.531622 -254.827 PRESSAVG: 1049800 19.1694 -29.5517 14.4375 -29.5517 9.82389 -27.1379 14.4375 -27.138 -15.5126 GPRESSAVG: 1049800 20.4746 -29.1762 14.4217 -31.5448 9.12473 -26.4465 15.6874 -24.1708 -16.1715 TIMING: 1049800 CPU: 3274.26, 0.00312217/step Wall: 3274.26, 0.00312217/step, 3.42589 hours remaining, 233.726562 MB of memory in use. ENERGY: 1049800 3977.3342 20401.8847 14501.3968 235.2024 -202886.5286 2528.8729 0.0000 0.0000 51970.7533 -109271.0843 298.6766 -161241.8376 -108905.8452 299.4267 -136.5769 -109.6941 761402.3401 4.4936 4.4759 PRESSURE: 1050000 -124.269 52.7192 225.652 52.719 223.958 216.688 225.653 216.688 -101.686 GPRESSURE: 1050000 -80.8569 143.14 195.679 89.089 225.322 221.056 118.417 120.603 -49.9247 PRESSAVG: 1050000 29.2472 58.5294 19.6137 58.5294 12.68 5.48914 19.6137 5.48915 -6.03491 GPRESSAVG: 1050000 28.7153 59.5234 17.7974 58.3417 12.7189 2.74789 18.0116 4.12403 -5.45041 TIMING: 1050000 CPU: 3274.89, 0.00312073/step Wall: 3274.89, 0.00312073/step, 3.42414 hours remaining, 233.726562 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: 1050000 3976.4065 20444.1496 14476.4256 249.0657 -202760.1286 2464.9025 0.0000 0.0000 52107.8042 -109041.3745 299.4643 -161149.1787 -108684.4923 299.1747 -0.6658 31.5133 763384.3120 11.9641 11.9946 PRESSURE: 1050200 -92.5883 32.1501 -139.692 32.1503 -102.098 4.85869 -139.692 4.85872 225.192 GPRESSURE: 1050200 -45.3093 38.6074 -97.9994 30.7727 -23.5212 -111.978 24.3357 51.0152 181.895 PRESSAVG: 1050200 13.5529 91.246 37.2392 91.246 -0.864906 -19.5203 37.2393 -19.5203 18.7672 GPRESSAVG: 1050200 13.7384 88.3424 38.213 91.6226 -0.652255 -19.6629 38.322 -18.8497 18.6183 TIMING: 1050200 CPU: 3275.51, 0.00312397/step Wall: 3275.51, 0.00312397/step, 3.42752 hours remaining, 233.726562 MB of memory in use. ENERGY: 1050200 4014.2148 20580.6925 14423.5455 248.6555 -202997.2333 2595.1867 0.0000 0.0000 52196.9312 -108938.0070 299.9765 -161134.9382 -108579.2372 299.8284 10.1686 37.6881 763413.0135 10.4851 10.5681 PRESSURE: 1050400 120.134 -64.3921 -47.7525 -64.3929 64.0581 34.5629 -47.7523 34.5633 41.7744 GPRESSURE: 1050400 168.688 73.1875 74.8657 19.6868 62.2027 34.6744 -143.445 15.6161 71.0597 PRESSAVG: 1050400 13.0357 85.998 15.3668 85.9981 -7.02067 -37.5786 15.3668 -37.5786 1.35726 GPRESSAVG: 1050400 13.0442 86.4849 15.7475 85.0872 -6.54681 -36.4225 17.4964 -38.1714 1.14872 TIMING: 1050400 CPU: 3276.14, 0.00312157/step Wall: 3276.14, 0.00312157/step, 3.42471 hours remaining, 233.726562 MB of memory in use. ENERGY: 1050400 3882.1536 20560.8610 14414.4674 238.2909 -202926.3035 2670.3160 0.0000 0.0000 52004.4746 -109155.7399 298.8704 -161160.2145 -108796.8055 299.7138 75.3222 100.6501 762174.4062 2.4574 2.5487 PRESSURE: 1050600 -79.3225 23.4362 170.175 23.4367 207.26 -100.765 170.175 -100.765 224.827 GPRESSURE: 1050600 -78.7797 -30.6276 146.354 -3.38855 183.653 -73.0003 102.564 -49.2724 309.441 PRESSAVG: 1050600 39.1109 -9.61198 -39.6299 -9.61206 -55.1252 49.3559 -39.6298 49.356 2.17546 GPRESSAVG: 1050600 38.3529 -10.1476 -41.5842 -8.06365 -55.9942 47.9335 -41.026 51.5808 3.15049 TIMING: 1050600 CPU: 3276.76, 0.00312323/step Wall: 3276.76, 0.00312323/step, 3.42635 hours remaining, 233.726562 MB of memory in use. ENERGY: 1050600 3953.5262 20651.0380 14479.8606 228.0207 -202738.8781 2521.2364 0.0000 0.0000 51944.7712 -108960.4251 298.5273 -160905.1963 -108596.2665 299.6406 117.5883 138.1048 762169.4442 -4.6130 -4.8303 PRESSURE: 1050800 -71.2035 60.3703 -38.4547 60.3705 117.132 -87.5226 -38.4547 -87.5217 25.5225 GPRESSURE: 1050800 3.47305 -15.5798 -142.226 95.3835 173.91 -85.8057 -72.8081 -107.225 -16.5048 PRESSAVG: 1050800 16.4829 26.451 -53.9311 26.4509 -44.9362 -42.1538 -53.9311 -42.1539 19.8843 GPRESSAVG: 1050800 16.4969 26.6476 -52.5368 26.5187 -44.0464 -40.1192 -54.5662 -45.4407 18.8792 TIMING: 1050800 CPU: 3277.39, 0.0031279/step Wall: 3277.39, 0.0031279/step, 3.4313 hours remaining, 233.726562 MB of memory in use. ENERGY: 1050800 3991.5890 20412.5338 14507.8624 248.7306 -202656.2143 2662.3434 0.0000 0.0000 51896.4585 -108936.6967 298.2497 -160833.1552 -108576.6096 299.6169 23.8170 53.6262 761877.7603 -2.8563 -2.8901 PRESSURE: 1051000 196.65 -176.69 -78.6177 -176.691 -7.06413 -69.4738 -78.617 -69.4731 191.187 GPRESSURE: 1051000 223.051 -143.124 -40.8421 -240.71 28.7585 -180.915 -93.2304 58.3833 231.894 PRESSAVG: 1051000 13.0086 26.7155 -38.1508 26.7154 -0.749923 -6.84091 -38.1508 -6.84094 -30.9945 GPRESSAVG: 1051000 12.8425 26.0468 -38.0712 28.5063 -1.75339 -6.56171 -38.0264 -5.24508 -29.5791 TIMING: 1051000 CPU: 3278.01, 0.00312215/step Wall: 3278.01, 0.00312215/step, 3.42483 hours remaining, 233.726562 MB of memory in use. ENERGY: 1051000 4008.0780 20443.7033 14444.2592 241.6125 -203229.3757 3019.3672 0.0000 0.0000 52028.8325 -109043.5229 299.0104 -161072.3555 -108674.4685 299.4830 126.9244 161.2344 761381.4696 -6.2453 -6.1633 PRESSURE: 1051200 -0.85545 73.6534 393.671 73.6534 -295.445 58.6554 393.671 58.6564 515.237 GPRESSURE: 1051200 60.7505 6.83439 439.662 87.3422 -183.637 28.4443 316.825 3.0301 426.351 PRESSAVG: 1051200 61.3524 0.650928 -43.7458 0.650937 -56.0613 -29.8038 -43.7458 -29.8037 25.8007 GPRESSAVG: 1051200 62.2971 -0.567869 -43.1071 1.04979 -55.9953 -31.7054 -45.5857 -29.828 24.5622 TIMING: 1051200 CPU: 3278.64, 0.00311803/step Wall: 3278.64, 0.00311803/step, 3.42014 hours remaining, 233.726562 MB of memory in use. ENERGY: 1051200 4102.8716 20502.2755 14363.9423 243.4043 -203452.7162 3124.5033 0.0000 0.0000 52057.1139 -109058.6054 299.1729 -161115.7192 -108693.4278 299.5740 72.9790 101.1550 762631.3169 10.3639 10.2880 PRESSURE: 1051400 74.0059 27.4485 -45.3514 27.4485 66.5099 95.3092 -45.3514 95.311 -155.64 GPRESSURE: 1051400 33.3355 -25.2002 -64.026 -44.8367 60.4168 154.012 149.06 78.5044 -16.3626 PRESSAVG: 1051400 29.3262 72.4256 -91.1369 72.4255 -32.7399 -4.86884 -91.1368 -4.86874 3.54174 GPRESSAVG: 1051400 27.6196 74.5466 -91.5866 71.3207 -31.5859 -4.26217 -87.9473 -6.95761 4.64669 TIMING: 1051400 CPU: 3279.26, 0.00312812/step Wall: 3279.26, 0.00312812/step, 3.43103 hours remaining, 233.726562 MB of memory in use. ENERGY: 1051400 4025.8114 20543.4852 14437.7343 244.4428 -203125.3608 2695.3324 0.0000 0.0000 51873.6966 -109304.8580 298.1188 -161178.5546 -108942.2307 299.5974 -5.0414 25.7966 763326.5464 0.0427 0.2268 PRESSURE: 1051600 -331.404 46.7757 -102.028 46.7754 -173.221 3.59891 -102.028 3.59948 32.4514 GPRESSURE: 1051600 -253.072 69.4258 -112.947 86.5963 -161.729 -85.914 -207.053 -63.7968 25.5547 PRESSAVG: 1051600 -20.0981 72.0218 -19.4206 72.0218 27.5662 -20.4434 -19.4205 -20.4434 -12.0965 GPRESSAVG: 1051600 -17.8332 71.9772 -19.9625 72.8861 26.8159 -20.2865 -20.4719 -19.7074 -13.4315 TIMING: 1051600 CPU: 3279.88, 0.00311216/step Wall: 3279.88, 0.00311216/step, 3.41334 hours remaining, 233.726562 MB of memory in use. ENERGY: 1051600 4015.7181 20514.0633 14425.9334 260.4859 -203103.0365 2671.1438 0.0000 0.0000 51859.1207 -109356.5713 298.0351 -161215.6920 -108994.2306 298.6668 -157.3910 -129.7489 761445.4464 -1.5428 -1.4829 PRESSURE: 1051800 0.965161 -303.489 -147.941 -303.489 286.787 89.9193 -147.941 89.9187 -96.5347 GPRESSURE: 1051800 -23.7697 -220.7 -187.882 -227.733 326.4 57.962 -45.9491 -78.4807 -41.2499 PRESSAVG: 1051800 8.54203 22.2453 -41.2091 22.2452 4.55994 -18.9604 -41.2091 -18.9604 3.56849 GPRESSAVG: 1051800 7.66144 22.3885 -40.9205 22.3821 4.31444 -19.4341 -42.1756 -18.8756 4.80632 TIMING: 1051800 CPU: 3280.51, 0.00312849/step Wall: 3280.51, 0.00312849/step, 3.43109 hours remaining, 233.726562 MB of memory in use. ENERGY: 1051800 3920.5611 20557.6470 14441.6922 255.3556 -203607.1031 2906.8786 0.0000 0.0000 52200.8853 -109324.0834 299.9992 -161524.9686 -108960.1483 298.7164 63.7392 87.1269 762370.7804 5.5568 5.5941 PRESSURE: 1052000 -380.561 156.544 -96.282 156.544 -181.156 14.8589 -96.2817 14.8581 -228.102 GPRESSURE: 1052000 -308.31 136.815 -63.3302 -13.7949 -215.233 51.3844 -67.3952 35.1598 -178.655 PRESSAVG: 1052000 -7.45224 -43.2297 -26.6336 -43.2296 8.54465 22.783 -26.6336 22.7831 16.2593 GPRESSAVG: 1052000 -7.15128 -42.4191 -26.5772 -44.7056 8.00383 21.7636 -25.0998 25.496 15.7719 TIMING: 1052000 CPU: 3281.13, 0.00312464/step Wall: 3281.13, 0.00312463/step, 3.42668 hours remaining, 233.726562 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: 1052000 3985.7673 20615.1861 14436.0004 263.2176 -203427.2323 2580.2787 0.0000 0.0000 52363.0796 -109183.7027 300.9313 -161546.7822 -108833.8448 299.1784 -263.2730 -234.0660 761463.4390 5.7839 5.5415 PRESSURE: 1052200 -165.447 39.8852 -9.57596 39.8859 -150.716 13.0723 -9.57609 13.0719 186.719 GPRESSURE: 1052200 -122.725 -23.6502 -87.958 127.075 -64.4777 29.9313 117.906 54.7535 176.164 PRESSAVG: 1052200 28.135 -11.021 -27.1831 -11.021 -19.1807 -30.0659 -27.1831 -30.0658 9.5981 GPRESSAVG: 1052200 27.3941 -11.6537 -27.7686 -9.59734 -18.6517 -28.8635 -30.2714 -33.2822 10.23 TIMING: 1052200 CPU: 3281.76, 0.00312243/step Wall: 3281.76, 0.00312243/step, 3.42409 hours remaining, 233.726562 MB of memory in use. ENERGY: 1052200 3975.3451 20395.1867 14478.5817 265.6531 -203112.6126 2717.4170 0.0000 0.0000 52026.2776 -109254.1514 298.9957 -161280.4290 -108886.7973 298.9200 -43.1479 -3.6797 761917.9434 6.1841 6.3241 LDB: ============= START OF LOAD BALANCING ============== 3294.24 LDB: ============== END OF LOAD BALANCING =============== 3294.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3294.24 LDB: ============= START OF LOAD BALANCING ============== 3294.56 LDB: Largest compute 7002 load 0.031360 is 16.1% of average load 0.195084 LDB: Average compute 0.004380 is 2.2% of average load 0.195084 LDB: TIME 3294.56 LOAD: AVG 0.195084 MAX 0.215496 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.496 MB LDB: TIME 3294.56 LOAD: AVG 0.195084 MAX 0.215496 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.535 MB LDB: TIME 3294.56 LOAD: AVG 0.195084 MAX 0.215496 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.535 MB LDB: ============== END OF LOAD BALANCING =============== 3294.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3294.57 PRESSURE: 1052400 -182.643 -158.968 128.986 -158.968 23.1939 107.146 128.986 107.146 -369.667 GPRESSURE: 1052400 -38.3883 -175.883 91.6183 -101.67 -118.187 95.7538 180.889 163.984 -276.054 PRESSAVG: 1052400 -11.4135 -15.5573 -3.81966 -15.5573 18.7214 -12.5312 -3.81969 -12.5312 -7.56097 GPRESSAVG: 1052400 -12.1868 -18.1466 -2.37934 -14.2087 20.2048 -11.9409 -2.53786 -12.7674 -8.21314 TIMING: 1052400 CPU: 3282.4, 0.00320363/step Wall: 3282.4, 0.00320363/step, 3.51296 hours remaining, 234.238281 MB of memory in use. ENERGY: 1052400 4010.6260 20414.3002 14550.5366 253.4298 -203336.6733 2847.5826 0.0000 0.0000 52156.7751 -109103.4230 299.7457 -161260.1981 -108750.2574 299.4012 -176.3721 -144.2099 761829.0991 -0.0844 -0.0650 PRESSURE: 1052600 22.971 224.14 21.3492 224.139 -289.863 169.88 21.3493 169.878 -46.5388 GPRESSURE: 1052600 122.97 200.449 -92.4775 175.227 -288.048 196.26 83.1474 146.125 -62.8193 PRESSAVG: 1052600 7.93686 11.1089 0.976855 11.1088 -31.1657 58.2083 0.976836 58.2083 -1.27773 GPRESSAVG: 1052600 8.87959 13.6358 1.88431 9.75959 -31.798 58.0275 0.619808 59.2107 -1.23688 TIMING: 1052600 CPU: 3283.03, 0.00314619/step Wall: 3283.03, 0.00314619/step, 3.44979 hours remaining, 234.441406 MB of memory in use. ENERGY: 1052600 4040.2948 20499.7149 14482.8421 272.5369 -203390.3488 2761.2008 0.0000 0.0000 52188.3292 -109145.4301 299.9270 -161333.7593 -108782.1335 298.9693 -104.4770 -75.9659 761837.3764 -8.1689 -8.0518 PRESSURE: 1052800 -13.4458 -91.3342 -126.372 -91.3338 209.829 -3.87674 -126.373 -3.87634 180.419 GPRESSURE: 1052800 32.074 -8.11799 -218.728 -52.9808 219.953 -10.1718 -205.966 -89.2051 211.056 PRESSAVG: 1052800 7.98323 -17.6981 -51.8077 -17.6981 -26.3715 41.0084 -51.8077 41.0084 -5.02447 GPRESSAVG: 1052800 7.31766 -17.2198 -54.6909 -17.5181 -26.3917 41.3559 -51.3386 40.8009 -4.53039 TIMING: 1052800 CPU: 3283.65, 0.00312384/step Wall: 3283.65, 0.00312384/step, 3.42511 hours remaining, 234.441406 MB of memory in use. ENERGY: 1052800 3930.0340 20655.2144 14489.6655 248.1708 -203587.3619 2909.0448 0.0000 0.0000 52144.9571 -109210.2753 299.6778 -161355.2325 -108844.9426 299.3708 125.6006 154.3610 761576.6230 -7.8042 -7.8681 PRESSURE: 1053000 -84.1952 30.2037 111.041 30.202 189.919 -147.223 111.041 -147.223 290.174 GPRESSURE: 1053000 8.55743 25.8086 180.964 -1.19997 114.837 -138.267 133.416 -129.174 347.948 PRESSAVG: 1053000 35.144 -2.77615 41.574 -2.77621 58.1775 38.7295 41.574 38.7296 -9.63269 GPRESSAVG: 1053000 35.1886 -4.44207 41.8633 -1.88255 57.9501 38.0052 41.919 40.408 -9.46198 TIMING: 1053000 CPU: 3284.28, 0.0031206/step Wall: 3284.28, 0.0031206/step, 3.42139 hours remaining, 234.441406 MB of memory in use. ENERGY: 1053000 4013.5964 20575.4384 14428.9286 251.4377 -202805.7217 2520.5845 0.0000 0.0000 51938.0202 -109077.7158 298.4885 -161015.7360 -108715.9326 299.5984 131.9660 157.1139 762816.1751 27.8963 27.8923 PRESSURE: 1053200 -71.3546 78.4747 62.6606 78.4741 -243.49 63.0133 62.6612 63.0129 -112.951 GPRESSURE: 1053200 11.8552 46.7012 72.0819 62.9452 -228.504 105.948 10.9286 6.23133 -132.986 PRESSAVG: 1053200 44.1895 -5.61449 24.9622 -5.61453 -9.73742 17.324 24.9623 17.324 6.84347 GPRESSAVG: 1053200 46.2997 -4.98071 25.1755 -7.24657 -11.0814 16.7072 25.8366 16.4716 5.53075 TIMING: 1053200 CPU: 3284.9, 0.00311006/step Wall: 3284.9, 0.00311006/step, 3.40966 hours remaining, 234.441406 MB of memory in use. ENERGY: 1053200 4045.0113 20628.8374 14489.9565 248.0292 -203471.8727 2846.0529 0.0000 0.0000 52100.8029 -109113.1826 299.4240 -161213.9855 -108748.9854 299.1267 -142.5985 -116.5448 763887.0967 13.7652 13.5830 PRESSURE: 1053400 -281.255 -19.4657 -117.341 -19.4655 -84.4179 -38.2008 -117.342 -38.201 172.712 GPRESSURE: 1053400 -218.617 40.7909 -30.1647 -8.01421 -37.2378 -124.711 -220.153 -55.8454 148.916 PRESSAVG: 1053400 -18.2455 -15.3512 -1.29335 -15.3512 15.3275 -15.401 -1.29339 -15.4009 3.98436 GPRESSAVG: 1053400 -19.354 -15.4453 -1.24638 -14.4952 17.4611 -14.8702 0.402453 -17.1333 2.70711 TIMING: 1053400 CPU: 3285.52, 0.00311971/step Wall: 3285.52, 0.00311971/step, 3.42007 hours remaining, 234.441406 MB of memory in use. ENERGY: 1053400 4004.1638 20383.1552 14517.6533 250.7856 -203225.6363 2498.4199 0.0000 0.0000 52315.0183 -109256.4402 300.6551 -161571.4584 -108894.0846 299.3360 -64.3203 -35.6463 762434.4731 0.3554 0.2714 PRESSURE: 1053600 -81.1926 -113.078 -142.768 -113.078 -11.9376 -94.1856 -142.769 -94.1852 -122.096 GPRESSURE: 1053600 -34.5396 -123.17 -135.847 -6.24695 51.7882 -73.1545 -80.0575 -21.5444 -146.17 PRESSAVG: 1053600 1.49349 -19.0461 -19.7085 -19.0461 -37.3569 8.54731 -19.7086 8.54737 -18.1673 GPRESSAVG: 1053600 0.153014 -19.2188 -17.8967 -18.6377 -38.4135 7.14452 -22.518 9.98465 -15.3497 TIMING: 1053600 CPU: 3286.15, 0.00312533/step Wall: 3286.15, 0.00312533/step, 3.42606 hours remaining, 234.441406 MB of memory in use. ENERGY: 1053600 3941.8313 20594.8318 14502.4635 246.3980 -203299.7507 2703.0315 0.0000 0.0000 52045.1217 -109266.0729 299.1040 -161311.1946 -108904.1809 298.9484 -71.7421 -42.9738 762187.0713 -18.0102 -17.8701 PRESSURE: 1053800 -158.371 90.4394 110.473 90.4395 -124.646 215.626 110.474 215.627 -365.843 GPRESSURE: 1053800 -179.407 109.693 145.08 61.1118 -4.59318 191.205 -50.9806 153.512 -394.849 PRESSAVG: 1053800 -5.36956 -36.2916 -13.4114 -36.2916 27.6103 -10.0758 -13.4114 -10.0757 -13.2031 GPRESSAVG: 1053800 -5.81407 -36.4639 -15.726 -36.7324 28.8215 -10.7836 -13.3895 -9.14424 -14.2278 TIMING: 1053800 CPU: 3286.77, 0.00312678/step Wall: 3286.77, 0.00312678/step, 3.42747 hours remaining, 234.441406 MB of memory in use. ENERGY: 1053800 4007.0471 20677.4259 14485.9052 267.8506 -203308.0450 2609.5918 0.0000 0.0000 51935.3722 -109324.8521 298.4733 -161260.2244 -108963.3102 298.7231 -216.2865 -192.9498 762054.3449 3.0125 2.9265 PRESSURE: 1054000 244.04 12.6881 -101.313 12.6882 283.548 14.8338 -101.314 14.8326 427.598 GPRESSURE: 1054000 306.741 -36.443 -84.329 28.6627 256.422 13.1986 15.271 -37.3578 498.277 PRESSAVG: 1054000 -39.8021 -18.5975 27.0041 -18.5975 7.02023 45.4656 27.0041 45.4656 34.9652 GPRESSAVG: 1054000 -38.9691 -18.4495 27.6196 -18.7963 6.82279 47.4857 29.4792 44.8436 35.0364 TIMING: 1054000 CPU: 3287.4, 0.00313154/step Wall: 3287.4, 0.00313154/step, 3.43252 hours remaining, 234.441406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1054000 3948.6176 20480.0217 14512.7579 263.0186 -203992.7287 3132.4070 0.0000 0.0000 52473.6469 -109182.2588 301.5668 -161655.9058 -108817.3536 299.4132 318.3954 353.8131 761929.5437 0.7278 0.9634 PRESSURE: 1054200 -146.875 -62.8116 248.237 -62.8114 -292.05 -77.0498 248.237 -77.0494 -209.1 GPRESSURE: 1054200 -166.231 0.0609553 289.964 -82.6211 -163.62 17.3832 64.9243 -200.537 -233.465 PRESSAVG: 1054200 16.9927 -29.8424 18.9331 -29.8425 5.19383 -10.8339 18.9331 -10.834 6.66423 GPRESSAVG: 1054200 15.9356 -30.5254 19.6412 -31.2595 4.75776 -11.9604 16.509 -10.8495 8.05715 TIMING: 1054200 CPU: 3288.02, 0.00312102/step Wall: 3288.02, 0.00312102/step, 3.42081 hours remaining, 234.441406 MB of memory in use. ENERGY: 1054200 3948.0834 20649.4456 14441.2415 247.9850 -203159.5258 2829.8354 0.0000 0.0000 52077.9887 -108964.9463 299.2929 -161042.9349 -108600.7948 299.8082 -216.0084 -187.7723 763811.4834 9.6169 9.5835 PRESSURE: 1054400 -48.0968 -37.7876 -152.816 -37.7878 304.776 49.6244 -152.817 49.6247 162.058 GPRESSURE: 1054400 37.3658 106.468 -129.788 -0.446641 213.495 -14.4474 -100.754 100.779 256.584 PRESSAVG: 1054400 -27.5801 -37.7492 42.3483 -37.7492 64.702 -10.0666 42.3483 -10.0666 -22.416 GPRESSAVG: 1054400 -26.526 -35.6035 41.788 -36.992 65.0947 -8.66862 45.5554 -10.7627 -23.547 TIMING: 1054400 CPU: 3288.65, 0.00311309/step Wall: 3288.65, 0.00311309/step, 3.41195 hours remaining, 234.441406 MB of memory in use. ENERGY: 1054400 3902.4092 20426.3474 14483.7909 256.8544 -203339.2752 2848.3848 0.0000 0.0000 52477.2833 -108944.2050 301.5877 -161421.4883 -108580.8798 300.4044 139.5790 169.1482 762795.2478 4.9020 5.0072 PRESSURE: 1054600 14.5949 121.717 30.0943 121.717 23.4705 122.67 30.0944 122.67 -353.688 GPRESSURE: 1054600 42.1945 128.815 21.9293 76.3414 7.84459 47.5913 -64.3612 93.5495 -296.737 PRESSAVG: 1054600 -89.3755 -9.59333 -40.6687 -9.59334 15.7983 34.3431 -40.6688 34.343 -8.84981 GPRESSAVG: 1054600 -88.2763 -12.2394 -41.1535 -9.99367 13.7205 34.4722 -41.6101 35.0847 -8.35099 TIMING: 1054600 CPU: 3289.27, 0.00312529/step Wall: 3289.27, 0.00312528/step, 3.42514 hours remaining, 234.441406 MB of memory in use. ENERGY: 1054600 4118.8558 20325.9088 14460.7333 256.1349 -203180.1610 2863.2082 0.0000 0.0000 52306.9581 -108848.3618 300.6088 -161155.3199 -108484.8362 299.9895 -105.2075 -82.2326 763394.8243 -27.4757 -27.6356 PRESSURE: 1054800 -134.486 257.072 -132.772 257.071 22.8945 45.263 -132.772 45.2627 -466.017 GPRESSURE: 1054800 -76.1603 185.988 -129.911 127.996 73.2201 -69.3121 -9.84827 64.8141 -497.92 PRESSAVG: 1054800 -57.0266 6.17886 -28.7902 6.17884 79.3461 23.556 -28.7903 23.5559 13.9864 GPRESSAVG: 1054800 -57.9912 5.7642 -27.9951 6.06935 81.0358 23.0446 -29.3544 22.9763 13.3324 TIMING: 1054800 CPU: 3289.9, 0.00311627/step Wall: 3289.9, 0.00311627/step, 3.41509 hours remaining, 234.441406 MB of memory in use. ENERGY: 1054800 4012.0070 20633.0714 14477.7667 256.9487 -203205.8031 2798.5642 0.0000 0.0000 51964.3940 -109063.0511 298.6401 -161027.4450 -108711.7731 299.9736 -192.5363 -166.9532 763277.1237 12.1020 12.1257 PRESSURE: 1055000 54.6179 207.856 176.905 207.857 101.385 -210.704 176.906 -210.704 215.636 GPRESSURE: 1055000 132.286 108.815 172.27 93.7221 182.517 -223.829 -9.0749 -201.63 146.962 PRESSAVG: 1055000 -6.47473 37.8362 62.1364 37.8362 -9.31272 17.4014 62.1364 17.4014 -13.3784 GPRESSAVG: 1055000 -6.8637 36.743 60.0137 37.6821 -8.22338 16.8154 61.6851 19.2895 -14.0291 TIMING: 1055000 CPU: 3290.52, 0.00311392/step Wall: 3290.52, 0.00311392/step, 3.41233 hours remaining, 234.441406 MB of memory in use. ENERGY: 1055000 3889.2734 20562.7585 14440.4509 270.1420 -203374.6008 2898.6876 0.0000 0.0000 52018.0398 -109295.2485 298.9484 -161313.2883 -108926.3826 299.1083 123.8794 153.9217 763183.0051 -9.7219 -9.7054 PRESSURE: 1055200 -66.6817 -93.19 -90.0541 -93.1902 88.9056 80.7463 -90.0547 80.746 227.87 GPRESSURE: 1055200 10.3737 -166.908 -32.4614 -5.69953 67.6426 43.6577 -145.582 104.095 251.517 PRESSAVG: 1055200 -62.0229 -41.7428 28.7945 -41.7428 57.0492 -8.15934 28.7945 -8.15933 -0.302619 GPRESSAVG: 1055200 -62.4532 -39.6821 31.8732 -43.1943 56.6528 -8.19745 26.6981 -10.1022 0.598459 TIMING: 1055200 CPU: 3291.14, 0.00311781/step Wall: 3291.14, 0.00311781/step, 3.41643 hours remaining, 234.441406 MB of memory in use. ENERGY: 1055200 3927.4217 20477.5140 14433.4817 234.6453 -203091.9696 2693.4652 0.0000 0.0000 52072.8011 -109252.6405 299.2631 -161325.4416 -108896.8526 298.7723 83.3646 109.8444 763279.7816 -1.7588 -1.7340 PRESSURE: 1055400 -9.57448 184.158 32.9116 184.158 -47.7496 57.6156 32.9107 57.6151 -138.416 GPRESSURE: 1055400 -23.3644 100.201 -55.2902 47.6264 -28.6475 75.8242 91.0406 158.255 -52.7309 PRESSAVG: 1055400 -33.5717 36.9966 28.3121 36.9966 -7.53135 11.2144 28.3121 11.2145 2.2217 GPRESSAVG: 1055400 -32.9262 37.0706 28.3461 37.8621 -7.65928 12.112 30.9315 12.1728 2.40025 TIMING: 1055400 CPU: 3291.76, 0.00311204/step Wall: 3291.76, 0.00311204/step, 3.40993 hours remaining, 234.441406 MB of memory in use. ENERGY: 1055400 3979.4582 20307.6158 14418.8015 270.3730 -203153.2379 2833.0329 0.0000 0.0000 52052.5824 -109291.3740 299.1469 -161343.9564 -108929.7473 298.9780 -65.2468 -34.9143 763443.2454 -12.9605 -12.7284 PRESSURE: 1055600 -180.369 -48.7034 -5.50364 -48.7047 252.626 263.379 -5.50304 263.38 -322.292 GPRESSURE: 1055600 -143.555 -157.115 34.6986 -20.852 270.728 247.706 50.8189 222.847 -311.262 PRESSAVG: 1055600 -4.41937 -24.1174 -32.902 -24.1174 7.83523 15.594 -32.902 15.5941 10.4767 GPRESSAVG: 1055600 -3.56168 -23.8244 -34.0965 -24.2289 7.06215 16.0356 -31.2165 13.5646 10.1932 TIMING: 1055600 CPU: 3292.39, 0.00312458/step Wall: 3292.39, 0.00312458/step, 3.4235 hours remaining, 234.441406 MB of memory in use. ENERGY: 1055600 3943.6698 20509.6359 14457.2020 253.7560 -203132.6506 2745.8322 0.0000 0.0000 51896.7987 -109325.7561 298.2516 -161222.5547 -108970.5072 298.9031 -83.3451 -61.3632 764064.8195 4.6308 4.5645 PRESSURE: 1055800 -382.752 52.8846 178.574 52.885 -508.547 -71.1125 178.574 -71.1128 -412.108 GPRESSURE: 1055800 -388.695 81.5784 193.976 62.7353 -476.753 -78.0596 109.9 -95.5004 -330.633 PRESSAVG: 1055800 -33.3113 17.2054 -1.33335 17.2053 32.716 81.4782 -1.33339 81.4782 -1.73266 GPRESSAVG: 1055800 -32.7051 16.773 -1.79275 17.9725 31.8709 81.5721 -4.10484 80.2997 -1.18269 TIMING: 1055800 CPU: 3293.01, 0.0031207/step Wall: 3293.01, 0.0031207/step, 3.41908 hours remaining, 234.441406 MB of memory in use. ENERGY: 1055800 3960.0202 20561.7675 14381.8696 280.7637 -202820.0220 2410.2958 0.0000 0.0000 51980.8221 -109244.4830 298.7345 -161225.3051 -108882.4718 298.8398 -434.4689 -398.6936 764675.2032 -0.7760 -0.6723 PRESSURE: 1056000 63.5676 41.2268 -23.2974 41.2279 -71.8968 -55.6183 -23.2973 -55.6198 44.49 GPRESSURE: 1056000 5.07365 75.8198 -22.6811 75.7387 47.4923 -1.73907 17.0581 2.92455 84.0596 PRESSAVG: 1056000 -47.8528 -9.12303 32.7316 -9.12304 30.9881 20.5327 32.7317 20.5327 1.52556 GPRESSAVG: 1056000 -49.6759 -9.35891 34.9966 -8.30838 31.792 20.91 33.2041 23.7456 1.85647 TIMING: 1056000 CPU: 3293.64, 0.00312623/step Wall: 3293.64, 0.00312623/step, 3.42496 hours remaining, 234.441406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1056000 3904.7119 20504.8247 14393.6938 244.5570 -202674.9295 2611.3276 0.0000 0.0000 51890.9191 -109124.8954 298.2178 -161015.8145 -108767.1426 299.0359 12.0536 45.5419 765061.1627 -5.1131 -5.3425 PRESSURE: 1056200 26.5009 36.7309 50.2835 36.7302 255.83 78.9606 50.2842 78.9605 -2.1762 GPRESSURE: 1056200 86.3403 -23.1738 -24.7852 76.9276 244.185 112.896 14.295 272.532 27.2684 PRESSAVG: 1056200 -28.3091 -14.4365 25.326 -14.4365 11.4426 60.9876 25.326 60.9875 3.90619 GPRESSAVG: 1056200 -26.8651 -13.0096 23.7626 -15.8926 11.294 60.4371 24.4523 59.2328 2.80417 TIMING: 1056200 CPU: 3294.26, 0.00311837/step Wall: 3294.26, 0.00311837/step, 3.41618 hours remaining, 234.441406 MB of memory in use. ENERGY: 1056200 3983.1955 20401.6886 14397.8324 246.3081 -203341.1308 2892.1457 0.0000 0.0000 52092.4020 -109327.5585 299.3758 -161419.9605 -108965.4152 298.9478 93.3849 119.2644 764235.2367 -4.3201 -4.2557 LDB: ============= START OF LOAD BALANCING ============== 3306.74 LDB: ============== END OF LOAD BALANCING =============== 3306.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3306.74 LDB: ============= START OF LOAD BALANCING ============== 3307.05 LDB: Largest compute 6977 load 0.030957 is 15.9% of average load 0.195019 LDB: Average compute 0.004396 is 2.3% of average load 0.195019 LDB: TIME 3307.06 LOAD: AVG 0.195019 MAX 0.214595 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.754 MB LDB: TIME 3307.06 LOAD: AVG 0.195019 MAX 0.214595 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.781 MB LDB: TIME 3307.06 LOAD: AVG 0.195019 MAX 0.214595 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.781 MB LDB: ============== END OF LOAD BALANCING =============== 3307.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3307.06 PRESSURE: 1056400 -390.081 338.056 -195.456 338.056 155.907 196.158 -195.456 196.159 -326.672 GPRESSURE: 1056400 -423.159 261.555 -189.282 264.713 241.402 218.522 34.8048 160.913 -292.854 PRESSAVG: 1056400 -9.84051 35.5958 37.9798 35.5958 41.8428 29.1835 37.9798 29.1835 13.0236 GPRESSAVG: 1056400 -11.1482 36.3976 37.6889 33.2317 43.7729 30.3097 39.135 29.2664 12.7007 TIMING: 1056400 CPU: 3294.9, 0.00317909/step Wall: 3294.9, 0.00317909/step, 3.48251 hours remaining, 234.238281 MB of memory in use. ENERGY: 1056400 4058.6145 20430.6658 14477.1075 231.4383 -202703.8364 2458.0072 0.0000 0.0000 51855.3187 -109192.6844 298.0132 -161048.0031 -108830.2175 298.9840 -186.9484 -158.2035 763991.7594 15.0086 15.1085 PRESSURE: 1056600 90.3597 -121.358 6.48877 -121.357 -13.2264 -141.169 6.48976 -141.169 46.9366 GPRESSURE: 1056600 125.511 -45.2729 10.8381 -120.955 99.3943 -42.6604 6.94122 -175.719 -27.022 PRESSAVG: 1056600 -12.0081 -16.5281 -11.3426 -16.528 53.1034 1.27808 -11.3426 1.27814 -23.0806 GPRESSAVG: 1056600 -11.7591 -18.0583 -10.391 -15.1437 52.825 1.10435 -9.37067 2.15407 -23.7556 TIMING: 1056600 CPU: 3295.52, 0.00310665/step Wall: 3295.52, 0.00310665/step, 3.40299 hours remaining, 234.238281 MB of memory in use. ENERGY: 1056600 3946.3174 20453.0152 14445.5665 253.9343 -203005.0891 2580.3034 0.0000 0.0000 52097.4681 -109228.4843 299.4049 -161325.9523 -108859.3804 299.2732 41.3566 65.9610 763562.1363 6.0049 5.7701 PRESSURE: 1056800 161.908 -23.0752 285.342 -23.0744 69.085 45.6229 285.343 45.6227 62.5508 GPRESSURE: 1056800 152.477 -102.827 231.939 -31.4442 162.312 80.8751 266.064 91.3456 68.8763 PRESSAVG: 1056800 -64.4194 -29.6635 26.3923 -29.6635 22.1929 27.4982 26.3924 27.4981 16.2646 GPRESSAVG: 1056800 -64.027 -29.8762 27.0415 -28.5563 21.333 26.7138 25.8103 27.6299 16.4093 TIMING: 1056800 CPU: 3296.14, 0.00310443/step Wall: 3296.14, 0.00310443/step, 3.40039 hours remaining, 234.238281 MB of memory in use. ENERGY: 1056800 3968.7515 20485.6713 14447.6857 261.6905 -203038.3416 2706.2234 0.0000 0.0000 52196.8641 -108971.4550 299.9761 -161168.3191 -108605.7573 299.1737 97.8478 127.8886 763615.6116 -8.6539 -8.7616 PRESSURE: 1057000 -170.2 65.8489 -9.92123 65.8493 -198.876 43.6742 -9.92076 43.6753 195.989 GPRESSURE: 1057000 -42.5884 30.9103 -71.1566 97.9097 -210.852 -7.20205 1.85311 161.706 169.072 PRESSAVG: 1057000 -17.4566 -25.6863 -43.9628 -25.6863 67.7078 -22.1132 -43.9628 -22.1131 9.61411 GPRESSAVG: 1057000 -17.7214 -26.5029 -44.5345 -26.5628 67.3081 -22.4216 -43.2859 -23.0544 10.9592 TIMING: 1057000 CPU: 3296.76, 0.00311531/step Wall: 3296.76, 0.00311531/step, 3.41213 hours remaining, 234.238281 MB of memory in use. ENERGY: 1057000 3944.3619 20456.5296 14455.0120 254.5558 -202880.6271 2677.1242 0.0000 0.0000 52030.9337 -109062.1098 299.0225 -161093.0436 -108693.7472 299.3452 -57.6959 -28.1228 764529.3279 19.9551 20.1819 PRESSURE: 1057200 -155.763 -96.1711 115.973 -96.1703 91.1027 -154.735 115.973 -154.734 40.3429 GPRESSURE: 1057200 -19.0847 -25.7479 104.08 -86.7747 109.286 -42.963 65.6934 -52.9161 -41.9159 PRESSAVG: 1057200 -0.466082 10.7564 -18.1095 10.7564 18.6805 15.2324 -18.1096 15.2324 -3.96119 GPRESSAVG: 1057200 0.0745924 11.1167 -19.8666 13.2631 18.4642 15.5578 -19.1422 16.2701 -5.03795 TIMING: 1057200 CPU: 3297.39, 0.00313546/step Wall: 3297.39, 0.00313545/step, 3.43402 hours remaining, 234.238281 MB of memory in use. ENERGY: 1057200 3942.4952 20637.7223 14459.2123 262.6526 -203121.2780 2652.7324 0.0000 0.0000 51960.9482 -109205.5149 298.6203 -161166.4631 -108842.7979 298.6872 -8.1059 16.0950 764004.1449 4.7511 4.5003 PRESSURE: 1057400 -90.0588 94.5829 -84.394 94.5819 133.184 -81.8397 -84.3941 -81.8402 -354.818 GPRESSURE: 1057400 -106.79 13.151 -117.788 28.2818 234.113 -164.025 -78.391 -50.3044 -355.181 PRESSAVG: 1057400 41.2258 -41.1883 -9.75331 -41.1883 -22.2721 25.5035 -9.75331 25.5035 2.38813 GPRESSAVG: 1057400 40.3336 -41.9357 -9.47535 -41.1192 -22.3795 24.6669 -8.48604 24.5086 2.6959 TIMING: 1057400 CPU: 3298.01, 0.00312183/step Wall: 3298.01, 0.00312183/step, 3.41892 hours remaining, 234.238281 MB of memory in use. ENERGY: 1057400 3913.2470 20549.1067 14464.1547 235.4127 -203299.3466 2932.2210 0.0000 0.0000 51827.8079 -109377.3966 297.8551 -161205.2045 -109010.3004 298.6219 -103.8976 -75.9526 764320.0601 7.1139 6.8833 PRESSURE: 1057600 -76.9682 -119.315 -232.966 -119.315 48.5409 -192.779 -232.967 -192.779 82.684 GPRESSURE: 1057600 -74.0873 -61.237 -251.739 -97.1129 138.496 -180.661 -320.202 -140.004 81.9818 PRESSAVG: 1057600 -46.5787 -24.2176 -56.8008 -24.2177 19.5742 47.3477 -56.8008 47.3477 4.02301 GPRESSAVG: 1057600 -46.5857 -23.0967 -55.6883 -28.3737 20.2609 47.0842 -56.8302 48.6718 3.65012 TIMING: 1057600 CPU: 3298.64, 0.00312032/step Wall: 3298.64, 0.00312032/step, 3.4171 hours remaining, 234.238281 MB of memory in use. ENERGY: 1057600 4022.0171 20370.0951 14455.1553 235.4184 -203166.8222 2795.5045 0.0000 0.0000 51982.9049 -109305.7269 298.7465 -161288.6319 -108930.7891 298.2979 18.0856 48.7970 764866.8748 -7.6605 -7.5582 PRESSURE: 1057800 -182.374 7.32933 -128.181 7.32935 17.1865 -18.9321 -128.181 -18.933 719.841 GPRESSURE: 1057800 -194.389 -21.3455 -152.401 89.9417 33.1501 73.7517 -97.1342 -34.5319 788.564 PRESSAVG: 1057800 -4.03288 13.8466 -10.0905 13.8466 34.8229 14.0636 -10.0906 14.0636 30.8034 GPRESSAVG: 1057800 -3.98422 12.968 -11.3697 16.8137 34.6197 14.9513 -11.9643 13.0459 30.9667 TIMING: 1057800 CPU: 3299.26, 0.00312565/step Wall: 3299.26, 0.00312565/step, 3.42276 hours remaining, 234.238281 MB of memory in use. ENERGY: 1057800 3922.3463 20696.9062 14399.0505 241.8165 -202980.3944 2811.5809 0.0000 0.0000 51789.5260 -109119.1680 297.6351 -160908.6940 -108761.0775 298.8712 184.8846 209.1086 764476.1491 20.5311 20.5340 PRESSURE: 1058000 -15.278 87.8554 176.726 87.8557 91.819 66.5654 176.727 66.565 -168.809 GPRESSURE: 1058000 47.6208 97.6294 208.13 50.1133 24.4864 31.98 114.451 21.9538 -91.2309 PRESSAVG: 1058000 -23.0045 16.0251 -22.8424 16.0252 23.231 17.54 -22.8424 17.54 -17.9683 GPRESSAVG: 1058000 -22.6783 17.3656 -22.1027 15.3161 23.213 18.5669 -20.9545 16.9777 -18.1677 TIMING: 1058000 CPU: 3299.89, 0.00311723/step Wall: 3299.89, 0.00311723/step, 3.41337 hours remaining, 234.238281 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: 1058000 3953.9407 20556.4203 14386.1455 251.1385 -202951.8871 2579.0565 0.0000 0.0000 52029.4492 -109195.7363 299.0140 -161225.1855 -108839.4612 298.9476 -30.7559 -6.3746 763862.0709 -5.9139 -5.8777 PRESSURE: 1058200 -81.8187 174.42 137.995 174.419 215.894 114.982 137.996 114.981 -27.2708 GPRESSURE: 1058200 -61.4583 158.872 203.178 136.16 282.555 105.518 33.7526 98.6496 -40.0426 PRESSAVG: 1058200 -68.4058 17.9646 24.7505 17.9645 90.5684 -11.1873 24.7505 -11.1873 -1.62839 GPRESSAVG: 1058200 -68.0441 17.9092 26.4791 17.3275 89.2459 -12.6881 22.5554 -10.8521 -1.07109 TIMING: 1058200 CPU: 3300.51, 0.00313256/step Wall: 3300.51, 0.00313256/step, 3.42998 hours remaining, 234.238281 MB of memory in use. ENERGY: 1058200 3967.7688 20609.1653 14419.2559 255.8459 -203222.5267 2851.3610 0.0000 0.0000 51945.1487 -109173.9810 298.5295 -161119.1297 -108813.4084 298.6517 35.6013 60.3512 764342.3076 6.8447 6.7102 PRESSURE: 1058400 -286.262 -97.0636 -168.86 -97.0635 -80.6706 49.5967 -168.86 49.5973 -236.933 GPRESSURE: 1058400 -240.042 -212.586 -126.555 -24.6426 -19.0752 27.026 -333.378 116.441 -261.026 PRESSAVG: 1058400 -22.2108 -35.8694 21.8494 -35.8695 -1.33648 62.0928 21.8494 62.093 -1.67074 GPRESSAVG: 1058400 -22.4318 -35.5907 20.5538 -35.7635 -0.0385643 61.3266 22.2325 65.2198 -2.55954 TIMING: 1058400 CPU: 3301.14, 0.00313376/step Wall: 3301.14, 0.00313376/step, 3.43112 hours remaining, 234.238281 MB of memory in use. ENERGY: 1058400 3982.6962 20603.5003 14445.3410 246.3239 -203230.8992 2882.5851 0.0000 0.0000 52110.5896 -108959.8631 299.4803 -161070.4528 -108595.6117 299.3364 -201.2887 -173.3810 763787.9203 -8.4060 -8.3433 PRESSURE: 1058600 143.503 -193.842 -14.1645 -193.843 167.024 159.63 -14.1644 159.632 163.609 GPRESSURE: 1058600 197.309 -59.0923 -116.236 -160.073 191.732 55.6621 68.963 121.926 167.572 PRESSAVG: 1058600 7.76449 19.4819 -9.00602 19.4819 4.11032 -22.0562 -9.00604 -22.0562 -13.1936 GPRESSAVG: 1058600 8.04918 17.7576 -7.11641 20.4545 3.17941 -21.77 -8.75527 -24.6783 -12.2135 TIMING: 1058600 CPU: 3301.76, 0.00311151/step Wall: 3301.76, 0.00311151/step, 3.40659 hours remaining, 234.238281 MB of memory in use. ENERGY: 1058600 4073.8388 20520.5732 14451.7368 261.1283 -203364.2911 3051.7354 0.0000 0.0000 52128.3941 -108876.8846 299.5826 -161005.2787 -108528.7549 299.6224 158.0455 185.5374 762843.3041 -0.4396 -0.3283 PRESSURE: 1058800 -120.168 4.11434 -107.865 4.11453 -353.942 -80.8042 -107.866 -80.803 -299.181 GPRESSURE: 1058800 -72.0806 -38.2536 -119.748 13.785 -310.62 -71.6262 -38.1926 -93.9448 -295.149 PRESSAVG: 1058800 9.8888 79.4044 -7.01986 79.4045 -26.9877 31.1109 -7.01991 31.1109 28.2586 GPRESSAVG: 1058800 9.7302 80.8363 -7.54308 77.9579 -27.2888 31.408 -5.47353 31.7727 27.9268 TIMING: 1058800 CPU: 3302.39, 0.00311966/step Wall: 3302.39, 0.00311966/step, 3.41533 hours remaining, 234.238281 MB of memory in use. ENERGY: 1058800 4113.5305 20656.4722 14397.6272 269.4780 -203010.1553 2718.0731 0.0000 0.0000 52121.3457 -108733.6287 299.5421 -160854.9745 -108379.4988 300.4446 -257.7635 -225.9499 762798.5263 3.7199 3.4561 PRESSURE: 1059000 -6.76414 -343.422 -11.8635 -343.422 -0.384859 -28.7894 -11.8642 -28.7903 69.8314 GPRESSURE: 1059000 63.0401 -339.771 -81.5996 -199.129 -27.1518 -12.841 -26.0219 34.9343 102.026 PRESSAVG: 1059000 -0.643257 18.4355 10.2838 18.4355 7.75024 19.4051 10.2838 19.405 -5.61824 GPRESSAVG: 1059000 -1.10393 17.7406 8.96159 19.438 7.55979 20.1562 8.35913 19.0095 -4.90597 TIMING: 1059000 CPU: 3303.01, 0.00311971/step Wall: 3303.01, 0.00311971/step, 3.41521 hours remaining, 234.238281 MB of memory in use. ENERGY: 1059000 4060.5407 20572.5388 14429.3402 253.8906 -202705.2461 2636.3535 0.0000 0.0000 52295.5128 -108457.0694 300.5430 -160752.5822 -108084.1038 300.7292 20.8941 45.9713 764154.3771 0.4962 0.5166 PRESSURE: 1059200 33.2045 86.6265 -19.2932 86.6268 148.054 65.0699 -19.2933 65.0691 127.865 GPRESSURE: 1059200 118.083 58.6092 -29.1764 127.082 165.915 -55.7362 33.0277 149.004 114.956 PRESSAVG: 1059200 -8.49075 -4.59323 -46.9649 -4.59331 0.411036 18.659 -46.9649 18.659 -1.88637 GPRESSAVG: 1059200 -7.52755 -4.32347 -46.9289 -6.77472 0.923555 18.7787 -45.9315 18.3457 -3.26249 TIMING: 1059200 CPU: 3303.63, 0.00310815/step Wall: 3303.63, 0.00310815/step, 3.40239 hours remaining, 234.238281 MB of memory in use. ENERGY: 1059200 4075.6307 20589.5878 14523.0905 270.1039 -203111.3731 3060.4871 0.0000 0.0000 52165.1855 -108427.2876 299.7940 -160592.4731 -108052.5830 300.6006 103.0411 132.9846 764015.7526 -3.3220 -3.2888 PRESSURE: 1059400 198.852 98.4286 79.8168 98.4297 -201.11 -218.558 79.817 -218.558 331.949 GPRESSURE: 1059400 259.54 117.235 73.5043 71.2674 -181.571 -200.228 99.8076 -129.812 327.678 PRESSAVG: 1059400 13.2721 4.37731 -8.30535 4.37735 -19.3556 -70.3884 -8.30537 -70.3884 -7.84067 GPRESSAVG: 1059400 12.125 3.97296 -8.22394 6.96644 -18.3895 -71.0699 -9.60041 -69.0841 -7.504 TIMING: 1059400 CPU: 3304.26, 0.0031202/step Wall: 3304.26, 0.0031202/step, 3.41541 hours remaining, 234.238281 MB of memory in use. ENERGY: 1059400 4076.3254 20735.2851 14527.8406 245.8938 -203026.8011 2783.3619 0.0000 0.0000 52216.5596 -108441.5346 300.0893 -160658.0943 -108086.7247 300.7744 109.8970 135.2156 762721.1078 -4.6414 -4.5895 PRESSURE: 1059600 167.435 -55.8927 -248.519 -55.8924 189.123 139.743 -248.52 139.744 147.347 GPRESSURE: 1059600 167.707 -77.0121 -211.243 63.1577 258.873 135.49 -220.726 140.386 134.766 PRESSAVG: 1059600 22.2697 28.587 -34.7093 28.587 -38.0553 -50.0733 -34.7094 -50.0732 -2.30795 GPRESSAVG: 1059600 23.7403 29.2242 -33.8849 27.7753 -39.7193 -49.4153 -31.6432 -53.1091 -2.46472 TIMING: 1059600 CPU: 3304.88, 0.00312329/step Wall: 3304.88, 0.00312329/step, 3.41862 hours remaining, 234.238281 MB of memory in use. ENERGY: 1059600 4041.2811 20608.9131 14371.5128 245.4826 -203374.3432 3000.3409 0.0000 0.0000 52368.9891 -108737.8238 300.9653 -161106.8129 -108358.7565 300.7615 167.9686 187.1155 763906.9465 -6.0312 -6.1479 PRESSURE: 1059800 18.133 -143.784 76.4282 -143.783 254.256 137.806 76.4279 137.805 -72.1688 GPRESSURE: 1059800 104.15 -39.0527 71.8716 -90.738 253.029 114.558 169.478 221.914 -65.021 PRESSAVG: 1059800 2.95561 23.2768 -48.1726 23.2769 -18.0547 2.04289 -48.1727 2.04288 -32.6402 GPRESSAVG: 1059800 1.69246 22.7679 -49.8905 22.2208 -16.8901 2.85896 -49.6751 3.43909 -32.3484 TIMING: 1059800 CPU: 3305.51, 0.00312172/step Wall: 3305.51, 0.00312172/step, 3.41672 hours remaining, 234.238281 MB of memory in use. ENERGY: 1059800 3977.7833 20509.4917 14429.7560 254.3311 -203230.4033 2958.5971 0.0000 0.0000 52381.9614 -108718.4828 301.0399 -161100.4442 -108352.6598 300.3490 66.7401 97.3862 764119.2961 -15.9131 -15.8487 PRESSURE: 1060000 -266.916 -165.942 -12.9158 -165.942 422.885 -139.062 -12.9159 -139.061 -404.074 GPRESSURE: 1060000 -153.376 -319.756 -62.88 -193.855 321.055 -77.2712 3.64475 -215.143 -333.919 PRESSAVG: 1060000 9.82181 -45.4795 -1.13863 -45.4795 -18.4639 -11.8092 -1.13866 -11.8091 10.6254 GPRESSAVG: 1060000 11.1454 -44.0591 0.918646 -44.1807 -19.785 -11.5686 -1.33346 -11.7761 10.2204 TIMING: 1060000 CPU: 3306.13, 0.0031228/step Wall: 3306.13, 0.0031228/step, 3.41774 hours remaining, 234.238281 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: 1060000 3969.3557 20565.1254 14414.5213 266.7197 -202858.0530 2711.7015 0.0000 0.0000 52169.5304 -108761.0990 299.8190 -160930.6293 -108390.6832 299.9440 -82.7018 -55.4132 763968.2690 0.6611 0.5269 PRESSURE: 1060200 -159.68 -83.5004 111.381 -83.5001 66.4863 107.123 111.381 107.122 -187.592 GPRESSURE: 1060200 -99.604 -39.1457 4.73544 -92.0282 87.3711 124.984 131.433 213.08 -196.016 PRESSAVG: 1060200 27.957 -87.0597 1.38161 -87.0597 -8.67269 -39.18 1.38165 -39.18 -5.4587 GPRESSAVG: 1060200 26.9423 -85.7009 0.430178 -88.2644 -6.9197 -39.4229 1.72282 -38.3227 -6.2962 TIMING: 1060200 CPU: 3306.76, 0.00313008/step Wall: 3306.76, 0.00313008/step, 3.42552 hours remaining, 234.238281 MB of memory in use. ENERGY: 1060200 3970.7393 20492.2146 14474.9159 235.6818 -202811.0204 2584.4582 0.0000 0.0000 52012.8458 -109040.1648 298.9185 -161053.0106 -108668.5986 299.3411 -93.5953 -69.4161 764191.5727 4.6085 4.5755 LDB: ============= START OF LOAD BALANCING ============== 3319.24 LDB: ============== END OF LOAD BALANCING =============== 3319.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3319.24 LDB: ============= START OF LOAD BALANCING ============== 3319.55 LDB: Largest compute 6972 load 0.032035 is 16.4% of average load 0.194954 LDB: Average compute 0.004397 is 2.3% of average load 0.194954 LDB: TIME 3319.55 LOAD: AVG 0.194954 MAX 0.216176 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.73 MB LDB: TIME 3319.55 LOAD: AVG 0.194954 MAX 0.216176 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.73 MB LDB: TIME 3319.55 LOAD: AVG 0.194954 MAX 0.216176 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.73 MB LDB: ============== END OF LOAD BALANCING =============== 3319.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3319.56 PRESSURE: 1060400 118.723 -73.9255 -34.9538 -73.9256 -273.919 44.7662 -34.9535 44.7664 12.766 GPRESSURE: 1060400 121.973 -42.8416 34.1774 -106.714 -205.92 144.682 -21.9359 54.3852 25.6948 PRESSAVG: 1060400 24.2272 4.3202 -60.8867 4.32022 -36.4604 -61.7488 -60.8867 -61.7488 -2.74827 GPRESSAVG: 1060400 24.2138 2.3994 -60.0134 2.83794 -37.4322 -61.7433 -58.649 -59.8964 -1.63972 TIMING: 1060400 CPU: 3307.4, 0.00319772/step Wall: 3307.4, 0.00319772/step, 3.49937 hours remaining, 234.820312 MB of memory in use. ENERGY: 1060400 4007.0352 20435.6909 14438.9587 269.6702 -202791.2929 2722.0742 0.0000 0.0000 51844.9076 -109072.9563 297.9534 -160917.8639 -108705.9688 298.9230 -47.4769 -19.4176 765938.2385 -4.9938 -4.9527 PRESSURE: 1060600 -339.152 126.888 -36.3595 126.89 -171.916 -9.4285 -36.3601 -9.42854 -283.579 GPRESSURE: 1060600 -375.63 113.678 -127.266 34.937 -46.3618 -34.0981 -122.13 8.06621 -282.749 PRESSAVG: 1060600 51.7681 30.538 -22.3833 30.538 -51.5782 -25.3675 -22.3833 -25.3675 -26.9184 GPRESSAVG: 1060600 51.1169 30.2865 -22.9167 32.4201 -51.7344 -25.5834 -25.0352 -27.9296 -26.2715 TIMING: 1060600 CPU: 3308.02, 0.00312564/step Wall: 3308.02, 0.00312564/step, 3.42032 hours remaining, 234.886719 MB of memory in use. ENERGY: 1060600 4001.8582 20344.9883 14473.2322 224.9799 -202956.6316 2545.6051 0.0000 0.0000 52031.7253 -109334.2426 299.0270 -161365.9679 -108984.0148 298.0327 -264.8824 -234.9136 762604.0237 -8.9095 -8.9630 PRESSURE: 1060800 -215.561 -158.178 -212.423 -158.178 114.186 -118.346 -212.424 -118.346 202.382 GPRESSURE: 1060800 -182.935 -220.644 -124.892 -228.931 99.4598 -167.574 -269.918 -141.366 275.93 PRESSAVG: 1060800 1.06926 -23.6174 -26.532 -23.6174 -26.1961 -1.37671 -26.532 -1.37663 11.303 GPRESSAVG: 1060800 2.42571 -25.4463 -25.8701 -22.6219 -26.4774 -1.32597 -26.6213 -1.54402 10.2425 TIMING: 1060800 CPU: 3308.65, 0.00312752/step Wall: 3308.65, 0.00312752/step, 3.4222 hours remaining, 234.886719 MB of memory in use. ENERGY: 1060800 4050.1367 20330.5894 14501.9514 233.5386 -203333.7080 2960.3475 0.0000 0.0000 51856.1709 -109400.9734 298.0181 -161257.1444 -109034.0227 298.4053 33.6693 64.1516 763169.4086 -4.6080 -4.6031 PRESSURE: 1061000 -120.383 28.758 7.57138 28.7576 52.7826 -26.2622 7.57237 -26.2624 -150.047 GPRESSURE: 1061000 -27.0079 -1.35771 -8.61123 98.1332 -23.0021 -20.4364 -4.48899 24.2848 -86.7095 PRESSAVG: 1061000 30.9614 8.09945 -31.0469 8.0994 -25.6568 -0.679656 -31.0469 -0.679679 -1.01339 GPRESSAVG: 1061000 30.7075 11.244 -30.8727 7.97276 -26.1894 -1.03836 -28.9326 1.0936 0.00342962 TIMING: 1061000 CPU: 3309.27, 0.00312768/step Wall: 3309.27, 0.00312768/step, 3.4222 hours remaining, 234.886719 MB of memory in use. ENERGY: 1061000 4001.5038 20336.6268 14479.0416 259.0564 -203238.9083 2933.9056 0.0000 0.0000 51831.9105 -109396.8638 297.8787 -161228.7743 -109039.3394 298.2287 -72.5493 -45.5732 764976.2418 1.4304 1.5072 PRESSURE: 1061200 -77.9749 -50.7772 268.945 -50.7766 -259.023 4.26598 268.945 4.26568 203.345 GPRESSURE: 1061200 -107.007 -13.327 232.606 -86.8618 -231.101 63.0341 253.443 11.4427 270.939 PRESSAVG: 1061200 48.9688 -5.51917 32.2585 -5.51912 -20.3997 8.59496 32.2585 8.59497 3.54911 GPRESSAVG: 1061200 49.1709 -8.72365 31.4493 -5.39126 -19.4703 9.8528 28.6379 6.45684 2.14297 TIMING: 1061200 CPU: 3309.9, 0.00313976/step Wall: 3309.9, 0.00313976/step, 3.43524 hours remaining, 234.886719 MB of memory in use. ENERGY: 1061200 3899.4097 20315.9711 14524.4278 280.9019 -203020.9990 2695.4261 0.0000 0.0000 51958.1663 -109346.6961 298.6043 -161304.8624 -108978.9510 298.9107 -44.5510 -22.3898 763696.5451 10.7061 10.6145 PRESSURE: 1061400 -29.7378 -18.1981 1.1309 -18.1982 -208.817 221.423 1.13111 221.422 109.625 GPRESSURE: 1061400 -48.0894 60.949 128.807 -34.3184 -138.64 205.577 -44.0342 343.651 129.303 PRESSAVG: 1061400 28.8287 12.8455 28.8164 12.8455 6.87993 -36.1275 28.8164 -36.1275 -14.8774 GPRESSAVG: 1061400 29.6076 12.7737 27.6302 12.5688 5.85869 -37.5173 32.3992 -35.6401 -14.7925 TIMING: 1061400 CPU: 3310.52, 0.00312229/step Wall: 3310.52, 0.00312229/step, 3.41596 hours remaining, 234.886719 MB of memory in use. ENERGY: 1061400 4008.8647 20473.0477 14459.9899 228.9085 -203041.7254 2636.3401 0.0000 0.0000 51991.1779 -109243.3966 298.7940 -161234.5745 -108891.8609 298.9790 -42.9765 -19.1421 762943.9031 6.9438 6.8912 PRESSURE: 1061600 -117.83 47.9922 -6.30031 47.9925 110.144 -210.965 -6.29994 -210.965 42.8758 GPRESSURE: 1061600 -100.029 19.8286 55.1868 66.5139 142.188 -153.884 -99.9514 -122.775 72.7363 PRESSAVG: 1061600 -20.045 17.955 21.8011 17.955 24.0741 -14.3841 21.8011 -14.3841 -17.8587 GPRESSAVG: 1061600 -19.8137 21.5004 23.2532 17.7848 23.7495 -13.7089 20.6866 -14.2865 -17.6816 TIMING: 1061600 CPU: 3311.15, 0.00313228/step Wall: 3311.15, 0.00313228/step, 3.42672 hours remaining, 234.886719 MB of memory in use. ENERGY: 1061600 4000.4552 20390.3711 14430.1693 247.9947 -203296.6680 2913.1707 0.0000 0.0000 51864.3856 -109450.1214 298.0653 -161314.5069 -109094.3375 298.5989 11.7299 38.2983 763061.1035 -4.6099 -4.5819 PRESSURE: 1061800 33.7558 -220.406 3.62737 -220.405 92.3609 -21.9823 3.62702 -21.9819 -37.2506 GPRESSURE: 1061800 169.494 -93.9706 31.0273 -234.157 103.975 -121.206 -36.5868 -40.0372 -104.299 PRESSAVG: 1061800 2.42363 27.8394 16.0034 27.8394 -30.9813 -27.5715 16.0034 -27.5715 -16.3693 GPRESSAVG: 1061800 1.43248 25.5723 16.738 27.3761 -29.9072 -28.6646 15.6964 -27.3489 -16.3741 TIMING: 1061800 CPU: 3311.78, 0.00313828/step Wall: 3311.78, 0.00313828/step, 3.43311 hours remaining, 234.886719 MB of memory in use. ENERGY: 1061800 4004.3165 20399.1408 14492.5689 270.9814 -203090.5444 2713.3205 0.0000 0.0000 51748.8737 -109461.3426 297.4015 -161210.2163 -109099.2447 297.7907 29.6220 56.3900 762423.9463 -14.9757 -14.9496 PRESSURE: 1062000 -371.559 -36.0174 242.183 -36.018 -462.297 261.843 242.183 261.842 -31.0651 GPRESSURE: 1062000 -310.218 22.1074 220.861 49.0674 -447.424 256.301 160.948 402.231 -14.4339 PRESSAVG: 1062000 29.993 -52.3264 44.5912 -52.3264 5.62764 24.0796 44.5912 24.0795 -15.9335 GPRESSAVG: 1062000 29.1023 -50.2388 43.3148 -51.7434 5.29268 25.0583 44.004 24.225 -14.6947 TIMING: 1062000 CPU: 3312.4, 0.00312332/step Wall: 3312.4, 0.00312332/step, 3.41656 hours remaining, 234.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1062000 3994.3776 20463.5262 14431.2357 259.7815 -202891.5049 2390.3011 0.0000 0.0000 52031.1533 -109321.1295 299.0238 -161352.2828 -108960.7261 298.6921 -288.3071 -257.3588 763177.1414 6.5624 6.5668 PRESSURE: 1062200 94.4421 12.3542 87.7915 12.353 56.5255 -249.437 87.7919 -249.435 -293.152 GPRESSURE: 1062200 115.681 -35.7709 122.626 51.2465 69.3379 -274.059 87.801 -306.086 -244.452 PRESSAVG: 1062200 26.613 14.8883 -7.62137 14.8883 2.38923 -36.7576 -7.62136 -36.7575 9.08546 GPRESSAVG: 1062200 27.7919 11.7065 -6.73776 15.5478 2.21533 -35.6821 -7.14735 -38.0865 7.39587 TIMING: 1062200 CPU: 3313.03, 0.00312206/step Wall: 3313.03, 0.00312206/step, 3.41502 hours remaining, 234.886719 MB of memory in use. ENERGY: 1062200 3942.3425 20458.3445 14413.6217 240.1537 -203451.0209 2972.0905 0.0000 0.0000 52045.3574 -109379.1107 299.1054 -161424.4680 -109022.5456 298.3188 -47.3949 -19.8111 762188.1000 12.6959 12.4677 PRESSURE: 1062400 -155.405 -53.6203 133.518 -53.6198 -286.059 25.069 133.519 25.0683 -64.9588 GPRESSURE: 1062400 -132.96 -138.448 151.105 -21.8916 -272.574 -1.40746 24.7924 136.377 -7.58158 PRESSAVG: 1062400 27.5324 -50.6783 34.8569 -50.6784 13.713 -9.52513 34.857 -9.52513 -2.75833 GPRESSAVG: 1062400 26.3565 -48.6401 34.1505 -51.7215 14.779 -11.8095 36.2567 -7.94786 -2.58508 TIMING: 1062400 CPU: 3313.65, 0.00312247/step Wall: 3313.65, 0.00312247/step, 3.41529 hours remaining, 234.886719 MB of memory in use. ENERGY: 1062400 3997.9968 20402.8117 14370.0720 253.0105 -203482.4785 2909.4347 0.0000 0.0000 52130.5463 -109418.6065 299.5950 -161549.1528 -109059.6240 298.7121 -168.8075 -137.7053 761763.9146 12.8290 12.8501 PRESSURE: 1062600 -322.005 -17.2543 205.529 -17.2551 -140.904 -34.3305 205.529 -34.3296 111.805 GPRESSURE: 1062600 -286.778 26.4911 241.725 4.42827 -67.7581 49.033 180.159 -92.5109 92.181 PRESSAVG: 1062600 -14.1515 -55.5978 11.6446 -55.5978 17.193 9.49851 11.6446 9.49855 -11.0702 GPRESSAVG: 1062600 -13.9052 -55.9595 11.8692 -54.8159 16.6068 10.523 10.5434 6.785 -10.9759 TIMING: 1062600 CPU: 3314.28, 0.00311665/step Wall: 3314.28, 0.00311665/step, 3.40875 hours remaining, 234.886719 MB of memory in use. ENERGY: 1062600 3987.8983 20445.6334 14456.7848 251.0628 -203545.3725 2886.8525 0.0000 0.0000 51704.9834 -109812.1573 297.1493 -161517.1407 -109453.4085 298.5761 -117.0345 -87.4516 761401.1500 -2.6763 -2.7581 PRESSURE: 1062800 -141.078 98.5284 12.6547 98.5284 -54.815 -99.0302 12.6557 -99.0295 89.607 GPRESSURE: 1062800 -155.245 155.15 -40.928 247.782 29.0965 -172.718 -17.1198 3.82624 83.949 PRESSAVG: 1062800 38.256 6.72293 -22.3237 6.72296 -33.3891 92.2033 -22.3238 92.2033 -4.9914 GPRESSAVG: 1062800 39.7028 8.60452 -21.958 7.20685 -34.3745 91.2312 -23.1316 92.2241 -5.48011 TIMING: 1062800 CPU: 3314.9, 0.00311971/step Wall: 3314.9, 0.00311971/step, 3.41192 hours remaining, 234.886719 MB of memory in use. ENERGY: 1062800 3944.5867 20532.5568 14508.8668 249.6317 -203595.9987 2990.8186 0.0000 0.0000 51871.8285 -109497.7096 298.1081 -161369.5381 -109139.7404 297.9472 -35.4287 -14.0664 763229.2390 -0.0415 -0.0506 PRESSURE: 1063000 407.587 33.3256 -63.1203 33.3252 204.757 189.233 -63.1207 189.232 260.804 GPRESSURE: 1063000 502.603 -93.5394 -76.3818 53.8069 226.478 237.219 4.57569 56.5629 231.956 PRESSAVG: 1063000 -25.593 20.987 -5.94525 20.987 28.2416 15.9043 -5.94521 15.9044 -6.91496 GPRESSAVG: 1063000 -26.9092 17.605 -6.11988 21.8106 28.9258 15.0994 -2.90357 15.7665 -6.79017 TIMING: 1063000 CPU: 3315.52, 0.00311969/step Wall: 3315.52, 0.00311969/step, 3.41173 hours remaining, 234.886719 MB of memory in use. ENERGY: 1063000 3887.1687 20513.7877 14413.7713 258.9985 -203500.9492 2807.7779 0.0000 0.0000 51984.1923 -109635.2528 298.7539 -161619.4452 -109278.3883 298.0951 291.0495 320.3456 761697.2380 -1.4221 -1.5912 PRESSURE: 1063200 -170.154 -125.651 84.8739 -125.651 -32.6795 -86.4549 84.8739 -86.4543 218.71 GPRESSURE: 1063200 -172.776 -128.058 122.53 7.3045 64.0506 -36.6692 -68.0291 -46.935 211.009 PRESSAVG: 1063200 -18.5012 -4.28466 -1.69845 -4.28466 9.17352 -16.9282 -1.69839 -16.9282 7.131 GPRESSAVG: 1063200 -17.6681 -2.17003 -1.37966 -6.32088 8.0406 -15.313 -3.56036 -14.3482 6.59328 TIMING: 1063200 CPU: 3316.15, 0.0031347/step Wall: 3316.15, 0.0031347/step, 3.42797 hours remaining, 234.886719 MB of memory in use. ENERGY: 1063200 3969.0370 20497.2222 14405.0238 244.3533 -203776.5778 3114.7066 0.0000 0.0000 51843.1105 -109703.1243 297.9431 -161546.2348 -109346.2256 297.9703 5.2920 34.0945 761325.7570 -0.7322 -1.0114 PRESSURE: 1063400 -304.707 -109.709 -459.904 -109.709 -535.858 185.626 -459.903 185.627 -199.051 GPRESSURE: 1063400 -265.87 -125.979 -547.448 50.6045 -534.321 227.788 -288.493 5.04539 -172.513 PRESSAVG: 1063400 -39.9403 18.3617 26.359 18.3616 40.3895 55.019 26.359 55.019 24.3964 GPRESSAVG: 1063400 -40.3479 19.0144 25.8616 19.3129 41.6846 53.3103 27.427 54.9898 23.0333 TIMING: 1063400 CPU: 3316.78, 0.00312979/step Wall: 3316.78, 0.00312979/step, 3.42242 hours remaining, 234.886719 MB of memory in use. ENERGY: 1063400 3897.9891 20403.1980 14439.4589 256.3500 -203007.7379 2344.3520 0.0000 0.0000 52011.8624 -109654.5276 298.9129 -161666.3900 -109287.0000 297.7563 -346.5385 -324.2347 763131.7552 8.2819 8.1234 PRESSURE: 1063600 62.7339 -19.7546 -129.995 -19.7554 4.56189 82.6431 -129.995 82.6432 1.84795 GPRESSURE: 1063600 69.4468 13.424 -113.639 -4.5525 -14.5992 158.354 -162.509 104.591 101.53 PRESSAVG: 1063600 -18.8202 -30.5621 19.518 -30.5621 17.4132 -1.27403 19.518 -1.27411 -23.5743 GPRESSAVG: 1063600 -19.4507 -31.2709 19.2903 -30.1985 16.5536 0.364869 17.4873 -2.31455 -22.0052 TIMING: 1063600 CPU: 3317.4, 0.00311229/step Wall: 3317.4, 0.00311229/step, 3.40311 hours remaining, 234.886719 MB of memory in use. ENERGY: 1063600 3996.2871 20431.9325 14397.8660 237.4001 -203109.1160 2822.5474 0.0000 0.0000 51736.2712 -109486.8116 297.3291 -161223.0828 -109131.2171 298.4516 23.0479 52.1258 763437.9759 -8.3271 -8.3008 PRESSURE: 1063800 -357.676 57.7138 -101.316 57.714 75.4404 108.296 -101.316 108.297 -119.677 GPRESSURE: 1063800 -282.015 -41.3031 -149.957 10.6856 72.6822 93.1458 29.3197 94.533 -117.801 PRESSAVG: 1063800 -46.1448 3.24648 -5.75252 3.24645 44.6239 21.9826 -5.75252 21.9825 2.59809 GPRESSAVG: 1063800 -45.8883 3.31243 -5.03958 3.27044 44.3375 22.5064 -4.21715 22.147 2.41313 TIMING: 1063800 CPU: 3318.02, 0.00312927/step Wall: 3318.02, 0.00312928/step, 3.42151 hours remaining, 234.886719 MB of memory in use. ENERGY: 1063800 3948.3570 20421.2672 14443.6163 268.2015 -203261.0920 2686.0454 0.0000 0.0000 52064.5740 -109429.0306 299.2158 -161493.6047 -109065.9037 298.4062 -133.9710 -109.0447 763027.2677 0.3591 0.2874 PRESSURE: 1064000 230.423 -126.316 25.6655 -126.316 244.977 180.364 25.6665 180.363 -99.2709 GPRESSURE: 1064000 326.284 -69.5921 -79.2429 -120.72 173.134 156.758 57.8176 133.147 -51.7315 PRESSAVG: 1064000 -39.7807 18.2111 -7.57385 18.2112 92.9258 50.6186 -7.57382 50.6186 -0.267451 GPRESSAVG: 1064000 -40.3067 19.0361 -8.86584 16.9323 93.7518 48.9197 -8.9747 51.0732 -0.872551 TIMING: 1064000 CPU: 3318.65, 0.00312298/step Wall: 3318.65, 0.00312298/step, 3.41446 hours remaining, 234.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1064000 3998.2427 20524.9283 14378.7895 276.3204 -203257.8652 2905.6729 0.0000 0.0000 51777.1872 -109396.7242 297.5642 -161173.9113 -109029.4756 298.7942 125.3764 149.2291 762896.4855 17.6259 17.5242 PRESSURE: 1064200 85.3888 -30.8675 37.2138 -30.8671 -211.293 -89.5787 37.2143 -89.5787 -22.892 GPRESSURE: 1064200 122.8 -12.8963 104.144 -26.2205 -153.427 27.5547 155.657 -43.2199 -22.0183 PRESSAVG: 1064200 27.5869 28.5632 -18.3758 28.5632 -15.5211 -13.9113 -18.3758 -13.9113 3.7045 GPRESSAVG: 1064200 27.1198 27.6698 -17.8593 28.8645 -15.8359 -12.8897 -16.3275 -13.3425 4.33786 TIMING: 1064200 CPU: 3319.27, 0.00312685/step Wall: 3319.27, 0.00312685/step, 3.41852 hours remaining, 234.886719 MB of memory in use. ENERGY: 1064200 3957.9339 20410.8002 14429.0370 262.6997 -202856.7129 2660.9078 0.0000 0.0000 51802.2994 -109333.0349 297.7085 -161135.3343 -108966.3272 298.6932 -49.5986 -17.5486 763522.8345 5.2567 5.2072 LDB: ============= START OF LOAD BALANCING ============== 3331.76 LDB: ============== END OF LOAD BALANCING =============== 3331.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3331.76 LDB: ============= START OF LOAD BALANCING ============== 3332.07 LDB: Largest compute 6972 load 0.032479 is 16.7% of average load 0.194985 LDB: Average compute 0.004403 is 2.3% of average load 0.194985 LDB: TIME 3332.08 LOAD: AVG 0.194985 MAX 0.212903 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.336 MB LDB: TIME 3332.08 LOAD: AVG 0.194985 MAX 0.212903 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.336 MB LDB: TIME 3332.08 LOAD: AVG 0.194985 MAX 0.212903 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.336 MB LDB: ============== END OF LOAD BALANCING =============== 3332.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3332.08 PRESSURE: 1064400 -258.192 113.044 18.0341 113.043 298.197 -156.246 18.0339 -156.246 11.9273 GPRESSURE: 1064400 -223.567 123.008 108.59 14.4221 398.195 -143.403 -41.8556 -166.908 -19.9388 PRESSAVG: 1064400 18.2389 -25.9367 33.5268 -25.9367 8.52403 58.1929 33.5269 58.1929 5.16323 GPRESSAVG: 1064400 18.5298 -23.92 35.2844 -27.6362 7.81919 58.6091 31.5773 57.1384 5.65889 TIMING: 1064400 CPU: 3319.92, 0.00321532/step Wall: 3319.92, 0.00321532/step, 3.51506 hours remaining, 234.105469 MB of memory in use. ENERGY: 1064400 3930.4734 20441.6370 14491.4033 250.2772 -203219.8908 2667.6795 0.0000 0.0000 52127.3764 -109311.0439 299.5767 -161438.4204 -108947.0335 298.7489 17.3108 51.5633 762148.5168 10.6421 10.6693 PRESSURE: 1064600 23.9623 135.914 -8.51056 135.914 -69.7656 267.398 -8.51047 267.398 -71.4307 GPRESSURE: 1064600 25.0823 244.105 -110.625 180.589 1.46137 211.584 -45.6033 151.793 -59.3567 PRESSAVG: 1064600 -30.9578 11.2135 36.2166 11.2135 25.0477 30.781 36.2166 30.7809 -25.5751 GPRESSAVG: 1064600 -31.2088 8.75276 35.8357 14.6611 26.3713 29.6209 35.2512 31.126 -26.3707 TIMING: 1064600 CPU: 3320.55, 0.00314082/step Wall: 3320.55, 0.00314082/step, 3.43344 hours remaining, 234.105469 MB of memory in use. ENERGY: 1064600 3998.3619 20536.0018 14501.4228 239.9049 -203233.4478 2715.2345 0.0000 0.0000 52099.9482 -109142.5737 299.4191 -161242.5219 -108798.7347 298.7030 -39.0780 -10.9377 761576.9662 -10.4951 -10.4027 PRESSURE: 1064800 42.8727 -72.6093 56.0251 -72.6085 283.786 129.142 56.0249 129.142 61.9305 GPRESSURE: 1064800 52.9943 -115.284 28.4171 -7.3299 317.929 70.771 4.07308 231.483 92.0159 PRESSAVG: 1064800 -3.386 -1.77319 6.56286 -1.77314 11.0226 4.30255 6.5628 4.30255 6.46431 GPRESSAVG: 1064800 -3.00546 -0.0119888 5.18504 -4.90243 9.98635 3.5724 9.65079 5.0805 7.58859 TIMING: 1064800 CPU: 3321.17, 0.00314403/step Wall: 3321.17, 0.00314403/step, 3.43677 hours remaining, 234.105469 MB of memory in use. ENERGY: 1064800 3875.5629 20486.3868 14492.0890 243.2399 -202833.0717 2619.1427 0.0000 0.0000 51860.9231 -109255.7275 298.0454 -161116.6505 -108898.7617 298.9049 129.5297 154.3130 762426.5669 4.7003 4.8565 PRESSURE: 1065000 -128.825 49.633 206.641 49.6321 3.33228 -119.129 206.641 -119.129 -226.782 GPRESSURE: 1065000 -46.8343 -15.2489 264.287 -0.22823 27.7061 -86.6729 298.92 -0.414295 -259.473 PRESSAVG: 1065000 -3.62136 10.7167 9.83843 10.7167 -34.1244 -8.57115 9.83847 -8.57111 -4.74314 GPRESSAVG: 1065000 -3.90838 8.70192 11.2956 10.2778 -33.1872 -6.91644 6.54256 -8.33973 -5.51885 TIMING: 1065000 CPU: 3321.8, 0.00313198/step Wall: 3321.8, 0.00313198/step, 3.42343 hours remaining, 234.105469 MB of memory in use. ENERGY: 1065000 3974.5875 20556.2688 14398.4767 254.5811 -203148.0226 2868.5646 0.0000 0.0000 51906.0515 -109189.4923 298.3048 -161095.5439 -108831.5819 298.8897 -117.4250 -92.8671 764449.3628 -14.1630 -14.2048 PRESSURE: 1065200 -270.908 9.89612 210.273 9.89507 -138.56 78.9149 210.272 78.9147 -150.761 GPRESSURE: 1065200 -287.182 -4.86771 248.939 37.3786 -107.823 14.2036 191.069 120.745 -65.5882 PRESSAVG: 1065200 -49.2782 -8.45927 -15.6162 -8.45926 43.919 19.4037 -15.6162 19.4037 32.3186 GPRESSAVG: 1065200 -48.9604 -8.57525 -15.993 -5.73614 44.2522 19.7206 -14.4299 17.2325 32.1159 TIMING: 1065200 CPU: 3322.43, 0.00312519/step Wall: 3322.43, 0.00312519/step, 3.41583 hours remaining, 234.105469 MB of memory in use. ENERGY: 1065200 3949.7655 20524.0349 14435.2859 242.6069 -202506.3939 2317.7647 0.0000 0.0000 52045.8821 -108991.0539 299.1084 -161036.9359 -108636.3132 299.0279 -186.7432 -153.5311 762531.5887 8.9865 9.1359 PRESSURE: 1065400 -165.248 21.662 -255.183 21.662 45.4536 20.1356 -255.183 20.1365 172.924 GPRESSURE: 1065400 -40.5761 143.996 -310.411 2.01245 28.9454 -46.2736 -181.143 87.9548 156.872 PRESSAVG: 1065400 -77.5001 2.55947 13.1929 2.55949 48.702 -22.1383 13.193 -22.1383 9.4718 GPRESSAVG: 1065400 -77.8447 3.51508 13.2429 1.29302 47.5683 -22.141 13.4755 -20.2849 10.7698 TIMING: 1065400 CPU: 3323.05, 0.0031417/step Wall: 3323.05, 0.0031417/step, 3.4337 hours remaining, 234.105469 MB of memory in use. ENERGY: 1065400 3913.9383 20421.9423 14423.2980 242.6464 -202756.7483 2594.4722 0.0000 0.0000 52364.8585 -108795.5926 300.9416 -161160.4511 -108422.5523 299.4132 17.7096 48.4138 763193.1562 -6.4421 -6.5022 PRESSURE: 1065600 125.153 -99.3013 85.6579 -99.3004 318.115 115.122 85.6579 115.122 -324.669 GPRESSURE: 1065600 213.383 -90.4255 148.902 -190.98 239.383 158.39 -7.61119 73.1492 -243.471 PRESSAVG: 1065600 6.42766 3.3539 59.9226 3.35385 9.74644 81.4239 59.9226 81.4237 -0.592995 GPRESSAVG: 1065600 7.86243 2.66259 58.661 3.098 10.1217 81.1524 59.1085 79.0832 -2.51247 TIMING: 1065600 CPU: 3323.68, 0.00312898/step Wall: 3323.68, 0.00312898/step, 3.41963 hours remaining, 234.105469 MB of memory in use. ENERGY: 1065600 4013.6784 20296.3444 14480.4669 250.1254 -202918.3477 2655.5145 0.0000 0.0000 52298.8314 -108923.3867 300.5621 -161222.2182 -108556.9286 299.4358 39.5329 69.7648 761456.5581 5.1937 5.1572 PRESSURE: 1065800 -101.418 -11.6263 78.7282 -11.6258 -216.643 84.6711 78.7284 84.6709 88.0555 GPRESSURE: 1065800 -83.368 -78.4745 70.296 35.7969 -224.207 117.106 39.0701 -71.0807 150.59 PRESSAVG: 1065800 -32.9916 42.5674 44.988 42.5674 34.7405 -7.08853 44.988 -7.08858 15.6574 GPRESSAVG: 1065800 -32.9742 43.4648 45.0596 43.284 33.9798 -8.13974 45.8989 -6.47722 16.3893 TIMING: 1065800 CPU: 3324.3, 0.00311646/step Wall: 3324.3, 0.00311646/step, 3.40577 hours remaining, 234.105469 MB of memory in use. ENERGY: 1065800 3981.1892 20555.8797 14422.3233 254.4344 -202600.0056 2557.1714 0.0000 0.0000 51986.4637 -108842.5440 298.7669 -160829.0077 -108478.8898 299.3845 -76.6684 -52.3283 763520.1932 5.8021 5.7983 PRESSURE: 1066000 -103.468 32.173 368.216 32.1729 128.08 108.769 368.216 108.769 532.727 GPRESSURE: 1066000 -47.4092 8.97362 298.514 -9.71223 115.601 174.195 378.917 31.6147 586.41 PRESSAVG: 1066000 -2.57419 31.1179 26.4677 31.1179 -8.22068 18.4129 26.4676 18.4129 -18.0368 GPRESSAVG: 1066000 -2.174 32.3597 26.4435 28.8112 -8.51329 20.1605 27.2329 18.2267 -18.0746 TIMING: 1066000 CPU: 3324.93, 0.00312613/step Wall: 3324.93, 0.00312613/step, 3.41617 hours remaining, 234.105469 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: 1066000 3927.0016 20438.5063 14448.5809 260.7128 -202701.3211 2594.6156 0.0000 0.0000 52090.8066 -108941.0972 299.3666 -161031.9038 -108573.4438 299.3718 185.7795 218.2007 763669.8260 -9.6106 -9.5873 PRESSURE: 1066200 -118.121 205.666 -247.942 205.667 -178.047 -69.7133 -247.942 -69.7123 -512.553 GPRESSURE: 1066200 -71.7222 303.105 -188.462 161.757 -144.124 -74.0017 -220.613 -14.1207 -525.16 PRESSAVG: 1066200 -5.09676 13.9259 7.51373 13.926 26.2923 41.6857 7.51373 41.6857 2.55118 GPRESSAVG: 1066200 -5.74074 13.4501 7.70427 15.5887 26.4306 41.5119 5.39307 42.3051 2.92737 TIMING: 1066200 CPU: 3325.55, 0.00312044/step Wall: 3325.55, 0.00312044/step, 3.40978 hours remaining, 234.105469 MB of memory in use. ENERGY: 1066200 4015.4883 20433.8102 14436.7750 272.2583 -202806.9829 2679.4431 0.0000 0.0000 52133.0515 -108836.1566 299.6094 -160969.2080 -108479.6211 299.2531 -269.5737 -247.0020 763837.0420 7.9156 7.8724 PRESSURE: 1066400 -2.96976 -218.529 119.103 -218.528 56.252 375.038 119.104 375.036 90.3273 GPRESSURE: 1066400 94.72 -269.795 109 -138.71 58.4097 317.515 -54.9552 377.887 76.5265 PRESSAVG: 1066400 -14.751 -15.0051 5.7271 -15.0051 24.3305 71.7465 5.7271 71.7464 -5.60188 GPRESSAVG: 1066400 -13.4266 -15.2254 6.73995 -15.9781 24.3646 70.6905 7.23836 71.6244 -6.73085 TIMING: 1066400 CPU: 3326.18, 0.00311519/step Wall: 3326.18, 0.00311519/step, 3.40386 hours remaining, 234.105469 MB of memory in use. ENERGY: 1066400 3973.9505 20527.1421 14372.1778 260.4280 -202949.8983 2675.4303 0.0000 0.0000 52126.6976 -109014.0720 299.5728 -161140.7695 -108648.3224 299.4574 47.8699 76.5521 763514.3144 1.3259 1.4024 PRESSURE: 1066600 -82.2024 72.798 -90.8302 72.7982 326.597 -214.271 -90.8305 -214.273 -64.5102 GPRESSURE: 1066600 -29.2448 77.1319 -46.195 69.9346 374.532 -154.399 54.7776 -222.621 -78.106 PRESSAVG: 1066600 -30.5343 43.5235 -14.4645 43.5235 17.6339 46.7671 -14.4644 46.7672 4.81986 GPRESSAVG: 1066600 -31.8082 44.8595 -15.9293 44.2801 18.9109 47.331 -14.7927 46.9823 4.5884 TIMING: 1066600 CPU: 3326.8, 0.00311123/step Wall: 3326.8, 0.00311123/step, 3.39937 hours remaining, 234.105469 MB of memory in use. ENERGY: 1066600 3972.4987 20446.9417 14372.6966 229.2624 -203157.1241 3065.5302 0.0000 0.0000 51964.1151 -109106.0796 298.6385 -161070.1946 -108742.3578 299.1457 59.9616 89.0602 763779.0042 -2.6935 -2.7696 PRESSURE: 1066800 40.3557 74.3634 49.3104 74.363 -221.745 -17.882 49.3112 -17.8824 178.927 GPRESSURE: 1066800 6.62554 66.8746 47.9192 -15.1071 -84.5313 8.24442 -6.13432 -0.866414 152.64 PRESSAVG: 1066800 -73.064 29.5173 41.4448 29.5173 74.4231 7.70689 41.4448 7.70686 -11.4752 GPRESSAVG: 1066800 -73.4167 26.6771 41.8833 27.7553 74.3973 7.343 41.8271 6.68765 -11.0934 TIMING: 1066800 CPU: 3327.42, 0.00312494/step Wall: 3327.42, 0.00312494/step, 3.41417 hours remaining, 234.105469 MB of memory in use. ENERGY: 1066800 3945.0385 20514.8652 14504.2929 255.9101 -203456.3646 2988.1112 0.0000 0.0000 52145.7317 -109102.4150 299.6822 -161248.1467 -108739.7403 298.8993 -0.8211 24.9113 764702.4972 -3.3721 -3.3709 PRESSURE: 1067000 209.854 -105.712 -127.634 -105.712 292.982 131.408 -127.634 131.409 355.131 GPRESSURE: 1067000 329.275 -192.846 -103.953 -26.282 262.477 115.885 -134.361 86.4968 334.307 PRESSAVG: 1067000 -1.19006 28.123 -1.17584 28.1231 14.6723 22.3075 -1.17584 22.3074 21.4248 GPRESSAVG: 1067000 -1.30027 29.3788 -0.188312 28.0841 13.8265 23.2198 -2.26974 22.9847 22.5111 TIMING: 1067000 CPU: 3328.05, 0.00312541/step Wall: 3328.05, 0.00312541/step, 3.41452 hours remaining, 234.105469 MB of memory in use. ENERGY: 1067000 3947.7345 20644.8551 14455.9013 246.1544 -203426.1848 2855.8147 0.0000 0.0000 52101.3167 -109174.4080 299.4270 -161275.7248 -108814.4427 299.4874 285.9892 308.6861 760900.8856 11.6357 11.6791 PRESSURE: 1067200 -19.4471 -70.7601 -68.9816 -70.7602 55.3568 -195.58 -68.9814 -195.579 -172.604 GPRESSURE: 1067200 47.9967 -151.451 18.9511 47.5707 82.3778 -149.726 -132.225 -153.498 -154.997 PRESSAVG: 1067200 -37.5922 -24.1741 6.77953 -24.1741 93.7167 25.4256 6.77959 25.4256 6.48273 GPRESSAVG: 1067200 -37.0049 -22.6692 5.25899 -22.1723 93.098 25.8135 5.32004 23.0017 6.71916 TIMING: 1067200 CPU: 3328.67, 0.00312974/step Wall: 3328.67, 0.00312974/step, 3.41906 hours remaining, 234.105469 MB of memory in use. ENERGY: 1067200 3910.8080 20293.3802 14396.6473 235.1042 -202994.3275 2752.4610 0.0000 0.0000 52356.9712 -109048.9556 300.8962 -161405.9268 -108676.6875 298.9777 -45.5647 -8.2074 763256.9736 20.8691 20.9374 PRESSURE: 1067400 216.361 46.7126 52.0768 46.7122 -22.4337 -181.712 52.0765 -181.711 182.27 GPRESSURE: 1067400 261.093 86.3915 110.144 -38.6516 -41.0151 -265.307 27.6927 -23.9563 235.904 PRESSAVG: 1067400 -16.6621 -8.39613 -53.5187 -8.39619 23.1031 -1.69691 -53.5187 -1.69689 0.394619 GPRESSAVG: 1067400 -16.8056 -10.1851 -52.1289 -8.71746 23.6212 -1.734 -51.8718 0.673524 0.51057 TIMING: 1067400 CPU: 3329.3, 0.00313442/step Wall: 3329.3, 0.00313442/step, 3.42401 hours remaining, 234.105469 MB of memory in use. ENERGY: 1067400 4005.9753 20637.0914 14485.9279 227.9254 -203205.2179 2814.9348 0.0000 0.0000 51858.3318 -109175.0314 298.0305 -161033.3632 -108824.3077 299.5407 125.3989 151.9938 762313.7127 2.2785 2.4420 PRESSURE: 1067600 -76.0229 260.812 153.006 260.812 211.457 83.1735 153.005 83.1732 510.13 GPRESSURE: 1067600 -48.0542 147.831 78.3286 170.736 258.859 71.3791 210.031 12.6248 521.105 PRESSAVG: 1067600 27.1031 -33.3938 48.7312 -33.3937 37.2148 -39.742 48.7311 -39.742 0.124403 GPRESSAVG: 1067600 25.5628 -32.8249 47.9224 -35.1886 38.2017 -40.5751 50.4326 -40.1362 0.402795 TIMING: 1067600 CPU: 3329.93, 0.00313951/step Wall: 3329.93, 0.00313951/step, 3.4294 hours remaining, 234.105469 MB of memory in use. ENERGY: 1067600 3966.2793 20589.7501 14387.8854 239.9136 -203064.4564 2771.9256 0.0000 0.0000 51904.2880 -109204.4144 298.2947 -161108.7024 -108847.3260 299.1675 215.1882 243.9700 761419.5899 21.4808 21.3891 PRESSURE: 1067800 195.848 229.12 -3.64842 229.121 -67.6943 -101.851 -3.64775 -101.85 -27.6035 GPRESSURE: 1067800 190.162 214.82 168.215 140.271 4.66284 -73.6896 -46.4279 -62.5536 -5.98075 PRESSAVG: 1067800 27.4562 -7.62359 52.8587 -7.62358 19.211 4.00065 52.8587 4.00071 3.94287 GPRESSAVG: 1067800 28.38 -6.6438 52.4799 -6.41909 18.1296 4.44944 51.0029 2.95693 4.13901 TIMING: 1067800 CPU: 3330.56, 0.00315655/step Wall: 3330.56, 0.00315655/step, 3.44783 hours remaining, 234.105469 MB of memory in use. ENERGY: 1067800 3960.5335 20629.0260 14405.8481 247.9318 -202977.1865 2526.3806 0.0000 0.0000 52033.2038 -109174.2626 299.0355 -161207.4664 -108804.2845 299.2074 33.5168 62.9480 761295.1805 16.8700 16.8829 PRESSURE: 1068000 -108.344 -224.014 9.30432 -224.014 -11.9354 21.2977 9.30536 21.2983 -166.711 GPRESSURE: 1068000 -45.7121 -86.456 111.863 -181.634 -0.499523 10.8564 1.82766 -60.7305 -147.5 PRESSAVG: 1068000 18.421 9.57975 4.69643 9.57972 -5.42533 5.36867 4.69641 5.36869 -5.46103 GPRESSAVG: 1068000 18.8195 9.04732 7.91797 9.12661 -4.84671 4.41326 5.58958 6.38492 -6.9414 TIMING: 1068000 CPU: 3331.19, 0.00314061/step Wall: 3331.19, 0.00314061/step, 3.43024 hours remaining, 234.105469 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: 1068000 4033.9714 20593.6705 14447.6000 257.6905 -203148.0804 2494.3550 0.0000 0.0000 51963.9362 -109356.8568 298.6375 -161320.7930 -109002.9131 298.9633 -95.6634 -64.5707 762490.7760 2.5115 2.3438 PRESSURE: 1068200 82.4354 -95.6786 52.6161 -95.6789 45.2716 -126.71 52.6157 -126.711 256.713 GPRESSURE: 1068200 156.127 -150.107 76.6001 -174.31 51.3291 -209.985 -9.24917 -19.3411 256.497 PRESSAVG: 1068200 -0.0288617 20.6993 -5.55914 20.6993 -15.633 -34.3011 -5.55917 -34.3011 20.2336 GPRESSAVG: 1068200 -0.495857 15.7005 -7.03542 22.3819 -16.373 -34.4288 -5.3346 -32.6997 21.0396 TIMING: 1068200 CPU: 3331.82, 0.00315816/step Wall: 3331.82, 0.00315816/step, 3.44924 hours remaining, 234.105469 MB of memory in use. ENERGY: 1068200 3985.6036 20589.6359 14432.0241 253.5877 -203275.3322 2634.1469 0.0000 0.0000 52135.3538 -109244.9802 299.6226 -161380.3339 -108887.4925 299.0915 128.1400 154.6509 760722.3026 1.5239 1.3902 LDB: ============= START OF LOAD BALANCING ============== 3344.3 LDB: ============== END OF LOAD BALANCING =============== 3344.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3344.3 LDB: ============= START OF LOAD BALANCING ============== 3344.62 LDB: Largest compute 6985 load 0.030371 is 15.6% of average load 0.195119 LDB: Average compute 0.004396 is 2.3% of average load 0.195119 LDB: TIME 3344.62 LOAD: AVG 0.195119 MAX 0.216109 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.168 MB LDB: TIME 3344.62 LOAD: AVG 0.195119 MAX 0.216109 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.168 MB LDB: TIME 3344.62 LOAD: AVG 0.195119 MAX 0.216109 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.168 MB LDB: ============== END OF LOAD BALANCING =============== 3344.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3344.63 PRESSURE: 1068400 43.6394 -166.14 152.104 -166.14 469.986 -56.9066 152.103 -56.9064 -303.399 GPRESSURE: 1068400 138.332 -114.628 168.274 -91.4895 395.463 -17.037 9.02019 -16.15 -234.106 PRESSAVG: 1068400 -11.302 16.8678 103.792 16.8678 14.9657 -21.5717 103.792 -21.5716 -29.0984 GPRESSAVG: 1068400 -13.0121 21.0618 102.26 17.2883 16.5701 -21.4687 101.972 -21.9165 -29.171 TIMING: 1068400 CPU: 3332.46, 0.0032081/step Wall: 3332.46, 0.0032081/step, 3.50361 hours remaining, 236.105469 MB of memory in use. ENERGY: 1068400 3928.5506 20652.5374 14404.9972 255.8126 -203290.5729 2677.4690 0.0000 0.0000 52245.7498 -109125.4562 300.2570 -161371.2060 -108767.7390 299.3002 70.0754 99.8962 762099.2660 -8.4782 -8.5376 PRESSURE: 1068600 -209.847 -35.8983 -247.364 -35.8986 112.317 147.977 -247.364 147.977 -100.89 GPRESSURE: 1068600 -81.4715 22.7174 -313.399 -15.0198 90.1217 153.92 -228.651 78.1575 -125.283 PRESSAVG: 1068600 52.2289 -2.0719 -17.2079 -2.07189 -17.3937 63.142 -17.2079 63.142 8.32645 GPRESSAVG: 1068600 54.2234 -3.06665 -16.779 -2.71945 -18.0899 66.3645 -15.9399 59.8831 6.70182 TIMING: 1068600 CPU: 3333.09, 0.00312629/step Wall: 3333.09, 0.00312629/step, 3.41408 hours remaining, 236.308594 MB of memory in use. ENERGY: 1068600 4015.5786 20612.9448 14460.8746 231.7022 -203318.5754 2969.9212 0.0000 0.0000 52065.6857 -108961.8685 299.2222 -161027.5541 -108599.7762 299.5340 -66.1401 -38.8775 763618.3590 14.3872 14.2784 PRESSURE: 1068800 -75.6605 -137.825 43.8447 -137.826 -14.0829 -68.6322 43.8448 -68.6326 -19.1258 GPRESSURE: 1068800 -9.22625 -79.3996 111.138 -218.342 58.2654 -170.071 149.057 44.4448 -81.7464 PRESSAVG: 1068800 -33.3537 36.6633 -24.1081 36.6633 9.1985 -77.8786 -24.1081 -77.8786 -10.0867 GPRESSAVG: 1068800 -34.0704 37.0445 -24.0923 35.2335 9.00517 -81.7677 -24.0613 -75.7971 -9.01858 TIMING: 1068800 CPU: 3333.71, 0.00313066/step Wall: 3333.71, 0.00313066/step, 3.41868 hours remaining, 236.308594 MB of memory in use. ENERGY: 1068800 3932.4023 20469.0649 14420.0598 264.8359 -202872.5652 2568.5693 0.0000 0.0000 52232.0879 -108985.5451 300.1785 -161217.6330 -108633.3790 299.4109 -36.2898 -10.9024 762232.5669 -11.4139 -11.3613 PRESSURE: 1069000 69.8321 -11.0006 -146.648 -10.9996 -207.605 14.4538 -146.649 14.4541 -459.517 GPRESSURE: 1069000 138.335 120.891 -272.506 -77.4408 -173.1 54.1236 -28.4826 122.295 -481.879 PRESSAVG: 1069000 -82.1719 12.5535 -81.898 12.5535 39.4993 10.7936 -81.8981 10.7935 -13.6303 GPRESSAVG: 1069000 -83.0655 12.5803 -81.928 12.1062 40.0387 11.0793 -81.2151 10.2859 -12.5491 TIMING: 1069000 CPU: 3334.34, 0.00313893/step Wall: 3334.34, 0.00313893/step, 3.42753 hours remaining, 236.308594 MB of memory in use. ENERGY: 1069000 4012.6076 20562.8611 14403.4140 248.0332 -203378.6482 2902.4463 0.0000 0.0000 52312.4939 -108936.7921 300.6406 -161249.2860 -108580.5693 299.4586 -199.0966 -172.2148 764658.9586 -18.7676 -18.5253 PRESSURE: 1069200 -497.838 -92.654 -69.5718 -92.6537 -56.5599 -109.921 -69.5724 -109.922 178.353 GPRESSURE: 1069200 -405.924 73.6249 -85.9731 -86.1638 -50.5259 -63.6247 -7.15224 -65.1552 158.445 PRESSAVG: 1069200 36.3316 48.9024 0.55999 48.9024 14.9849 18.9578 0.559933 18.9578 -18.9417 GPRESSAVG: 1069200 36.9314 49.284 0.93631 49.5735 15.17 20.8526 0.25487 17.9039 -19.9545 TIMING: 1069200 CPU: 3334.97, 0.0031576/step Wall: 3334.97, 0.0031576/step, 3.44775 hours remaining, 236.308594 MB of memory in use. ENERGY: 1069200 4029.0210 20478.2000 14388.0658 274.0814 -203344.8638 2838.9433 0.0000 0.0000 51980.9172 -109355.6351 298.7350 -161336.5523 -108990.7168 299.5070 -125.3484 -99.3350 761307.3576 10.7916 10.7156 PRESSURE: 1069400 188.996 171.99 -147.901 171.99 -81.423 124.496 -147.9 124.495 -380.457 GPRESSURE: 1069400 142.041 201.122 -161.198 110.044 -12.3263 55.7333 -163.853 17.3495 -303.172 PRESSAVG: 1069400 -8.32888 41.695 -28.1541 41.695 13.5454 38.3686 -28.1541 38.3686 9.86115 GPRESSAVG: 1069400 -8.53539 39.0167 -30.994 44.216 14.5676 37.8907 -25.0353 40.0266 9.5848 TIMING: 1069400 CPU: 3335.6, 0.00313291/step Wall: 3335.6, 0.00313291/step, 3.42061 hours remaining, 236.308594 MB of memory in use. ENERGY: 1069400 3981.7708 20368.0087 14397.2512 252.9038 -203330.4966 2763.6853 0.0000 0.0000 51999.4801 -109567.3967 298.8417 -161566.8768 -109208.3290 298.3223 -90.9614 -57.8192 763750.8039 5.0259 5.2057 PRESSURE: 1069600 -311.1 -33.0691 22.9627 -33.0698 -129.943 -34.0777 22.9632 -34.0768 -272.881 GPRESSURE: 1069600 -314.051 -87.6101 51.7033 -98.9739 -94.3616 -6.26175 11.5513 -39.5755 -215.004 PRESSAVG: 1069600 -14.179 7.46668 -55.7781 7.46669 -16.7215 -21.8323 -55.7781 -21.8324 13.8875 GPRESSAVG: 1069600 -14.1215 9.93339 -52.9095 4.30374 -17.0238 -21.4312 -58.5863 -23.8027 14.0279 TIMING: 1069600 CPU: 3336.23, 0.00313828/step Wall: 3336.23, 0.00313828/step, 3.4263 hours remaining, 236.308594 MB of memory in use. ENERGY: 1069600 4006.3194 20289.0372 14410.7790 267.4162 -203161.1667 2561.3839 0.0000 0.0000 51839.7158 -109786.5151 297.9236 -161626.2310 -109411.3105 297.7139 -237.9748 -207.8056 761968.5317 -5.6710 -5.7058 PRESSURE: 1069800 88.5626 202.45 89.1046 202.45 -596.085 -59.9875 89.1051 -59.9866 243.037 GPRESSURE: 1069800 151.518 184.704 95.9157 279.719 -483.486 -42.0613 22.5262 21.003 161.251 PRESSAVG: 1069800 5.86779 -52.6161 -7.26543 -52.6161 1.932 -1.76173 -7.26541 -1.76163 -18.6558 GPRESSAVG: 1069800 6.21479 -52.1631 -9.50802 -52.57 2.79995 -2.47349 -7.01784 -1.30156 -19.4205 TIMING: 1069800 CPU: 3336.85, 0.0031372/step Wall: 3336.85, 0.0031372/step, 3.42495 hours remaining, 236.308594 MB of memory in use. ENERGY: 1069800 3958.2227 20412.7106 14410.1520 260.6130 -203429.1817 2741.2261 0.0000 0.0000 51941.5161 -109704.7411 298.5086 -161646.2573 -109346.5988 297.8728 -88.1618 -56.9054 761477.0085 -3.6187 -3.4686 PRESSURE: 1070000 -298.853 -33.5708 236.285 -33.5705 -255.816 -75.348 236.284 -75.3489 198.837 GPRESSURE: 1070000 -196.105 -93.4378 174.008 55.6194 -247.343 -45.9088 233.829 -194.686 161.645 PRESSAVG: 1070000 -24.9599 -40.084 -13.49 -40.084 21.2231 23.5109 -13.49 23.511 -11.8134 GPRESSAVG: 1070000 -24.1661 -40.8609 -11.4533 -39.4677 20.4457 24.2571 -14.3177 24.5152 -10.9607 TIMING: 1070000 CPU: 3337.48, 0.0031236/step Wall: 3337.48, 0.0031236/step, 3.40993 hours remaining, 236.308594 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: 1070000 3968.0436 20541.9366 14442.9942 239.5099 -203093.1421 2613.8168 0.0000 0.0000 51847.6486 -109439.1926 297.9691 -161286.8411 -109070.2274 298.3342 -118.6107 -93.9342 763125.3366 -5.1834 -4.8937 PRESSURE: 1070200 -198.536 -163.117 -59.7601 -163.117 -163.931 151.935 -59.7608 151.935 509.964 GPRESSURE: 1070200 -110.268 -266.068 -110.623 -185.396 -201.015 120.929 50.3707 53.2021 532.74 PRESSAVG: 1070200 -17.3132 -43.6324 14.65 -43.6324 32.2714 25.9283 14.65 25.9283 -4.33648 GPRESSAVG: 1070200 -17.4573 -42.5228 13.2559 -43.6567 32.3894 25.1489 15.9066 26.348 -4.49772 TIMING: 1070200 CPU: 3338.11, 0.0031326/step Wall: 3338.11, 0.0031326/step, 3.41958 hours remaining, 236.308594 MB of memory in use. ENERGY: 1070200 3994.9854 20518.5254 14536.4178 253.2953 -203640.5454 2868.5669 0.0000 0.0000 52098.7303 -109370.0243 299.4121 -161468.7546 -109012.2856 298.5530 49.1655 73.8192 763464.2961 3.5406 3.4781 PRESSURE: 1070400 434.031 222.77 95.7386 222.77 48.2986 212.131 95.7381 212.13 203.517 GPRESSURE: 1070400 442.673 204.054 178.76 300.774 104.23 169.731 20.8592 99.7213 202.389 PRESSAVG: 1070400 14.2892 -46.5354 -45.9121 -46.5354 4.79283 -15.5311 -45.9121 -15.5311 -27.9797 GPRESSAVG: 1070400 11.9519 -48.0643 -43.9312 -46.1194 4.66974 -15.4998 -49.1346 -16.8791 -25.9057 TIMING: 1070400 CPU: 3338.73, 0.00313296/step Wall: 3338.73, 0.00313296/step, 3.41981 hours remaining, 236.308594 MB of memory in use. ENERGY: 1070400 3959.1592 20335.5142 14418.4968 246.6054 -203483.9483 3064.0913 0.0000 0.0000 52032.0994 -109427.9820 299.0292 -161460.0814 -109064.8723 298.6786 228.6154 249.7639 761703.2706 -2.9659 -3.0947 PRESSURE: 1070600 -67.8551 -84.5947 -84.9084 -84.5953 -23.0857 -186.124 -84.9076 -186.124 413.269 GPRESSURE: 1070600 41.7015 -35.1286 -86.7863 -119.027 50.0957 -190.303 -124.834 -263.068 336.979 PRESSAVG: 1070600 -23.2136 -5.64622 11.5012 -5.64623 -17.637 30.5242 11.5013 30.5242 9.68358 GPRESSAVG: 1070600 -21.1899 -3.88602 10.6239 -7.85657 -18.2039 32.0086 12.0595 30.6672 7.7881 TIMING: 1070600 CPU: 3339.36, 0.00313451/step Wall: 3339.36, 0.00313451/step, 3.42132 hours remaining, 236.308594 MB of memory in use. ENERGY: 1070600 3912.9311 20407.6733 14438.8885 243.1369 -203656.5322 3086.0333 0.0000 0.0000 52120.5735 -109447.2957 299.5377 -161567.8692 -109095.0152 298.8457 107.4428 142.9255 763789.3928 -10.3890 -10.5352 PRESSURE: 1070800 -343.888 90.8941 -49.0486 90.8935 -285.091 109.829 -49.0485 109.828 -105.811 GPRESSURE: 1070800 -318.649 66.1488 -83.1298 -23.1722 -283.697 122.325 -20.9104 162.282 -38.8653 PRESSAVG: 1070800 12.5865 -13.1398 -18.2735 -13.1397 10.7027 -4.01843 -18.2735 -4.01838 -8.29575 GPRESSAVG: 1070800 12.275 -14.8727 -18.8057 -12.0265 10.3814 -5.84188 -17.8906 -3.52864 -6.88928 TIMING: 1070800 CPU: 3339.99, 0.00314709/step Wall: 3339.99, 0.00314709/step, 3.43488 hours remaining, 236.308594 MB of memory in use. ENERGY: 1070800 4021.9013 20517.9668 14417.3040 250.0621 -203103.8117 2612.5578 0.0000 0.0000 51989.0348 -109294.9848 298.7817 -161284.0196 -108934.2919 298.6673 -244.9299 -213.7370 763218.3674 4.9978 5.2557 PRESSURE: 1071000 -276.591 -26.4867 -13.9544 -26.4863 39.7996 110.689 -13.9544 110.689 -371.353 GPRESSURE: 1071000 -229.432 -112.913 46.2405 11.2549 42.8402 89.8791 -74.8533 86.6659 -320.413 PRESSAVG: 1071000 -7.37562 -2.65757 -39.1588 -2.65759 -3.42396 -19.9948 -39.1587 -19.9949 31.3965 GPRESSAVG: 1071000 -7.044 -2.90189 -37.4383 -1.638 -1.67174 -20.6529 -41.1224 -19.9551 29.4821 TIMING: 1071000 CPU: 3340.61, 0.00313035/step Wall: 3340.61, 0.00313035/step, 3.41642 hours remaining, 236.308594 MB of memory in use. ENERGY: 1071000 4069.4829 20563.4986 14433.3796 259.2880 -203205.1632 2664.0716 0.0000 0.0000 51897.9078 -109317.5348 298.2580 -161215.4426 -108961.3163 298.8975 -202.7148 -169.0014 763513.9233 6.8657 6.9221 PRESSURE: 1071200 -459.081 26.6427 -87.7863 26.6424 -20.3284 27.4909 -87.7859 27.4907 7.39967 GPRESSURE: 1071200 -482.348 -47.2062 -149.628 4.29541 52.5858 78.8057 -69.2383 -33.3958 29.509 PRESSAVG: 1071200 -33.3206 -27.8125 22.33 -27.8125 25.2958 12.3814 22.33 12.3813 15.6051 GPRESSAVG: 1071200 -34.4288 -28.2893 21.1217 -27.5981 24.3336 12.5265 24.6529 10.0907 17.7515 TIMING: 1071200 CPU: 3341.24, 0.00314713/step Wall: 3341.24, 0.00314713/step, 3.43456 hours remaining, 236.308594 MB of memory in use. ENERGY: 1071200 4049.3150 20438.2800 14423.1944 260.5541 -203276.3260 2542.6519 0.0000 0.0000 52035.5867 -109526.7441 299.0492 -161562.3307 -109167.0517 298.5987 -157.3367 -133.4177 762465.6187 2.5268 2.5521 PRESSURE: 1071400 -70.1289 143.766 -144.047 143.765 263.51 4.52774 -144.048 4.52807 -329.842 GPRESSURE: 1071400 -55.8392 39.0779 -131.07 160.827 229.797 -74.9923 -117.738 175.774 -237.214 PRESSAVG: 1071400 22.2697 -16.264 13.7048 -16.264 0.294753 7.51879 13.7048 7.51875 -13.4607 GPRESSAVG: 1071400 23.307 -16.3322 13.9979 -15.8174 -0.236705 8.21769 11.9963 8.99018 -14.3941 TIMING: 1071400 CPU: 3341.87, 0.00313067/step Wall: 3341.87, 0.00313067/step, 3.41643 hours remaining, 236.308594 MB of memory in use. ENERGY: 1071400 4085.0603 20389.6075 14411.2584 247.1586 -203047.8566 2577.2310 0.0000 0.0000 51764.4865 -109573.0543 297.4912 -161337.5409 -109206.1389 297.8194 -45.4869 -21.0854 763235.1535 3.0346 2.8921 PRESSURE: 1071600 -150.055 -147.518 -31.8013 -147.518 -503.144 145.653 -31.7994 145.652 -476.663 GPRESSURE: 1071600 -197.911 -115 -36.0859 -127.824 -425.618 32.8991 6.93068 88.4419 -412.196 PRESSAVG: 1071600 -7.16559 -79.2272 28.3673 -79.2272 -23.2988 -1.5475 28.3673 -1.54755 -2.66754 GPRESSAVG: 1071600 -6.18833 -78.034 26.7041 -79.2446 -23.3327 -2.74884 29.8495 -0.606355 -3.24229 TIMING: 1071600 CPU: 3342.5, 0.00314202/step Wall: 3342.5, 0.00314202/step, 3.42864 hours remaining, 236.308594 MB of memory in use. ENERGY: 1071600 4011.9880 20393.9033 14454.5091 245.1807 -202964.5758 2533.6100 0.0000 0.0000 51889.5391 -109435.8457 298.2099 -161325.3847 -109083.1773 298.3137 -376.6210 -345.2417 764142.4568 -11.0440 -10.9211 PRESSURE: 1071800 0.470812 -91.2532 249.94 -91.2527 63.0887 -51.3806 249.939 -51.3806 -13.2031 GPRESSURE: 1071800 -60.009 -43.7641 225.496 -86.2333 117.327 -209.265 133.061 -0.705784 71.4232 PRESSAVG: 1071800 -3.53597 -31.3026 83.2966 -31.3026 -34.5343 -27.4874 83.2966 -27.4874 -15.6043 GPRESSAVG: 1071800 -5.23321 -32.8436 83.3724 -29.611 -33.9936 -28.2421 82.8513 -26.7416 -14.7579 TIMING: 1071800 CPU: 3343.12, 0.00313087/step Wall: 3343.12, 0.00313087/step, 3.41631 hours remaining, 236.308594 MB of memory in use. ENERGY: 1071800 3986.3923 20482.5223 14383.4205 238.9477 -203218.4838 2822.9234 0.0000 0.0000 51976.9522 -109327.3255 298.7123 -161304.2777 -108965.6355 298.6352 16.7855 42.9137 763870.7982 -17.8915 -17.9949 PRESSURE: 1072000 -398.357 -123.884 224.007 -123.884 -356.301 79.7207 224.007 79.7202 -126.418 GPRESSURE: 1072000 -290.619 -238.51 232.093 22.8445 -378.43 82.9455 206.017 118.366 -120.911 PRESSAVG: 1072000 3.68489 -51.9747 5.21655 -51.9747 7.42694 -27.7666 5.21657 -27.7667 3.87689 GPRESSAVG: 1072000 4.4113 -51.1163 6.3309 -53.5569 7.47346 -26.4036 5.06142 -30.7646 3.28544 TIMING: 1072000 CPU: 3343.75, 0.00313403/step Wall: 3343.75, 0.00313403/step, 3.41958 hours remaining, 236.308594 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: 1072000 4014.6533 20412.5603 14429.2850 236.1235 -202882.3607 2447.1512 0.0000 0.0000 51910.4588 -109432.1286 298.3301 -161342.5874 -109069.7829 298.1402 -293.6921 -263.3198 765350.5873 4.9962 5.0567 PRESSURE: 1072200 177.727 3.6018 190.919 3.60237 -129.583 182.612 190.919 182.612 189.007 GPRESSURE: 1072200 80.8659 -36.2291 237.757 7.95988 55.0101 235.594 255.202 137.603 187.76 PRESSAVG: 1072200 -38.367 -45.5235 28.519 -45.5236 37.9763 -33.1336 28.5191 -33.1335 -15.5325 GPRESSAVG: 1072200 -39.32 -43.9177 27.0877 -47.2112 38.8359 -32.5808 28.6997 -32.9011 -15.3993 TIMING: 1072200 CPU: 3344.38, 0.00313775/step Wall: 3344.38, 0.00313775/step, 3.42346 hours remaining, 236.308594 MB of memory in use. ENERGY: 1072200 4013.0938 20502.8115 14421.8118 238.5701 -203883.8063 3070.9813 0.0000 0.0000 52086.3735 -109550.1644 299.3411 -161636.5379 -109183.4615 298.9446 79.0503 107.8786 760691.4309 -5.3077 -5.2945 LDB: ============= START OF LOAD BALANCING ============== 3356.86 LDB: ============== END OF LOAD BALANCING =============== 3356.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3356.86 LDB: ============= START OF LOAD BALANCING ============== 3357.17 LDB: Largest compute 6985 load 0.029767 is 15.3% of average load 0.194949 LDB: Average compute 0.004393 is 2.3% of average load 0.194949 LDB: TIME 3357.17 LOAD: AVG 0.194949 MAX 0.214856 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.539 MB LDB: TIME 3357.17 LOAD: AVG 0.194949 MAX 0.214856 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.543 MB LDB: TIME 3357.17 LOAD: AVG 0.194949 MAX 0.214856 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.543 MB LDB: ============== END OF LOAD BALANCING =============== 3357.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3357.18 PRESSURE: 1072400 -54.1326 -21.5796 91.6677 -21.5803 126.054 -62.054 91.668 -62.0544 149.232 GPRESSURE: 1072400 16.8097 -72.6224 86.3019 62.9535 178.923 -35.4152 202.222 27.1277 95.8658 PRESSAVG: 1072400 -21.4722 -47.2471 21.9438 -47.2471 32.0613 22.4771 21.9438 22.477 2.99013 GPRESSAVG: 1072400 -20.4565 -48.2128 24.2313 -45.1202 31.5181 22.3243 20.6582 22.4094 2.44292 TIMING: 1072400 CPU: 3345.02, 0.00318499/step Wall: 3345.02, 0.00318499/step, 3.47482 hours remaining, 234.050781 MB of memory in use. ENERGY: 1072400 3917.1540 20679.4231 14393.0580 244.8728 -203328.7431 2823.8291 0.0000 0.0000 51730.5974 -109539.8088 297.2965 -161270.4062 -109182.2974 298.6940 73.7180 97.1993 762986.3592 4.5264 4.5015 PRESSURE: 1072600 -347.467 -53.951 31.8506 -53.9507 -44.6601 46.8328 31.8507 46.8336 -1.21046 GPRESSURE: 1072600 -339.786 61.0397 -16.8595 -16.9394 10.6823 91.71 87.2284 14.2348 10.8151 PRESSAVG: 1072600 -28.5631 -3.8173 43.8824 -3.81723 2.04973 11.3916 43.8824 11.3916 13.6496 GPRESSAVG: 1072600 -27.0469 -4.74314 42.9918 -6.03247 -0.256292 11.1618 45.5928 12.3003 14.7467 TIMING: 1072600 CPU: 3345.64, 0.00312464/step Wall: 3345.64, 0.00312464/step, 3.40881 hours remaining, 234.253906 MB of memory in use. ENERGY: 1072600 4016.6953 20462.0114 14507.5113 239.7394 -203264.8594 2714.2911 0.0000 0.0000 51914.3775 -109410.2334 298.3526 -161324.6109 -109052.3250 298.4918 -131.1124 -106.0963 762000.2735 -4.2879 -4.1855 PRESSURE: 1072800 -275.525 57.8428 54.7097 57.8423 19.4838 221.032 54.7097 221.032 -242.33 GPRESSURE: 1072800 -142.23 6.02531 -27.881 -55.4259 -72.8068 176.742 75.9894 219.142 -191.817 PRESSAVG: 1072800 -27.0571 -35.3629 28.4449 -35.3629 45.7678 6.50671 28.4449 6.5067 10.3754 GPRESSAVG: 1072800 -28.7482 -34.3139 28.6484 -35.2294 46.9103 7.9427 25.2247 6.89705 10.5344 TIMING: 1072800 CPU: 3346.26, 0.00312202/step Wall: 3346.26, 0.00312202/step, 3.40578 hours remaining, 234.253906 MB of memory in use. ENERGY: 1072800 3962.4390 20506.6225 14472.7405 235.8364 -203191.5826 2791.2621 0.0000 0.0000 51945.9333 -109276.7488 298.5340 -161222.6821 -108910.2801 298.8534 -166.1238 -135.6181 763019.9643 9.6953 9.5655 PRESSURE: 1073000 -437.17 -8.51332 7.43408 -8.51244 291.167 -137.34 7.43327 -137.34 -65.2158 GPRESSURE: 1073000 -396.929 -6.53762 -34.129 -16.8705 255.157 -218.451 1.20692 63.4911 15.3341 PRESSAVG: 1073000 -26.6849 -39.2939 25.8912 -39.2939 18.7493 7.27954 25.8913 7.27956 -22.9263 GPRESSAVG: 1073000 -26.0196 -41.2263 25.4414 -39.652 18.3017 5.51848 28.2146 7.30655 -23.3878 TIMING: 1073000 CPU: 3346.89, 0.00312268/step Wall: 3346.89, 0.00312268/step, 3.40632 hours remaining, 234.253906 MB of memory in use. ENERGY: 1073000 3929.7575 20469.9517 14442.3254 240.7240 -203461.9364 3029.5420 0.0000 0.0000 52176.0387 -109173.5970 299.8564 -161349.6358 -108812.6477 298.4794 -70.4062 -42.1460 762338.6324 -10.2873 -10.3685 PRESSURE: 1073200 108.093 -21.749 32.5797 -21.7492 133.953 -118.514 32.5797 -118.514 138.505 GPRESSURE: 1073200 127.757 32.5104 64.3483 38.6599 179.255 -89.6099 91.9786 -97.1647 144.681 PRESSAVG: 1073200 -9.98114 -58.0139 34.0569 -58.0139 4.10817 -33.4385 34.0569 -33.4384 0.226995 GPRESSAVG: 1073200 -10.8277 -56.39 32.7832 -55.5766 4.42925 -32.3354 34.7142 -33.9591 0.557399 TIMING: 1073200 CPU: 3347.51, 0.00311812/step Wall: 3347.51, 0.00311812/step, 3.40118 hours remaining, 234.253906 MB of memory in use. ENERGY: 1073200 3937.6576 20545.3617 14428.5998 244.8697 -203266.0088 2849.8251 0.0000 0.0000 52104.3624 -109155.3324 299.4445 -161259.6948 -108800.6875 299.2723 126.8504 150.5643 762093.2841 -1.8820 -1.9470 PRESSURE: 1073400 -65.5362 -118.958 18.4192 -118.958 333.103 -106.788 18.4195 -106.788 231.856 GPRESSURE: 1073400 27.9985 -190.065 61.3643 13.4912 349.51 -128.681 66.8514 -33.2757 205.232 PRESSAVG: 1073400 -39.7674 5.85667 35.191 5.85662 83.2213 -38.832 35.191 -38.832 -10.7175 GPRESSAVG: 1073400 -39.1881 5.1571 35.6652 6.54109 82.2715 -39.5426 35.8391 -41.2145 -10.4978 TIMING: 1073400 CPU: 3348.14, 0.00311239/step Wall: 3348.14, 0.00311239/step, 3.39475 hours remaining, 234.253906 MB of memory in use. ENERGY: 1073400 4048.8790 20586.3245 14518.2082 228.6217 -203554.0307 2997.6843 0.0000 0.0000 52022.0280 -109152.2851 298.9713 -161174.3131 -108798.9901 298.9881 166.4743 194.2468 761896.8196 10.9121 10.8619 PRESSURE: 1073600 76.7262 -38.5619 -22.9594 -38.562 -439.032 109.853 -22.9591 109.853 -313.816 GPRESSURE: 1073600 119.218 -19.5384 78.2613 -128.375 -472.919 61.7878 49.1653 87.0823 -246.459 PRESSAVG: 1073600 -43.1881 -16.3119 -6.47752 -16.3119 36.8365 -19.5014 -6.47754 -19.5014 -3.80181 GPRESSAVG: 1073600 -43.685 -16.8405 -6.48331 -16.0021 38.5468 -20.3463 -5.37906 -17.6187 -5.13263 TIMING: 1073600 CPU: 3348.76, 0.00312408/step Wall: 3348.76, 0.00312408/step, 3.40733 hours remaining, 234.253906 MB of memory in use. ENERGY: 1073600 3978.0596 20613.5594 14431.9481 235.0545 -203003.9398 2647.0629 0.0000 0.0000 51824.6977 -109273.5576 297.8372 -161098.2553 -108918.4271 298.6854 -225.3740 -200.0534 762482.2522 -3.3845 -3.4236 PRESSURE: 1073800 -49.2088 -16.05 -171.321 -16.0502 -94.5724 -34.3448 -171.32 -34.3442 130.114 GPRESSURE: 1073800 -79.9984 -25.1277 -42.2742 82.7714 11.1511 -42.9158 -156.232 6.79453 146.305 PRESSAVG: 1073800 -29.7409 -24.7183 -17.7574 -24.7184 87.4813 -15.3369 -17.7574 -15.3369 9.01633 GPRESSAVG: 1073800 -28.9176 -23.1497 -17.163 -24.9261 86.7641 -14.7142 -19.6102 -14.9088 9.37663 TIMING: 1073800 CPU: 3349.39, 0.00313426/step Wall: 3349.39, 0.00313426/step, 3.41826 hours remaining, 234.253906 MB of memory in use. ENERGY: 1073800 3983.0001 20565.3817 14464.3608 210.8682 -202989.4824 2644.6113 0.0000 0.0000 52030.4692 -109090.7911 299.0198 -161121.2603 -108723.1780 299.0099 -4.5557 25.8193 761724.2851 22.2523 22.4077 PRESSURE: 1074000 315.77 -36.7165 -98.6854 -36.7179 -117.175 -282.614 -98.6855 -282.614 191.076 GPRESSURE: 1074000 278.231 -5.46355 -2.81998 4.72882 -59.6016 -268.437 -130.826 -183.551 254.057 PRESSAVG: 1074000 -56.0482 -20.4613 -11.1514 -20.4613 45.0256 11.2574 -11.1513 11.2574 -3.02754 GPRESSAVG: 1074000 -56.7247 -23.2921 -13.1728 -20.6289 45.7383 11.5705 -12.3991 12.4032 -2.61114 TIMING: 1074000 CPU: 3350.01, 0.00311534/step Wall: 3350.01, 0.00311534/step, 3.39745 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1074000 3973.3579 20587.7382 14495.6841 253.7021 -202681.8729 2495.2074 0.0000 0.0000 51965.0537 -108911.1294 298.6439 -160876.1831 -108550.3899 299.4435 129.8902 157.5620 762711.3596 -4.6834 -4.5325 PRESSURE: 1074200 196.255 -9.60397 125.553 -9.60307 -15.2624 57.4486 125.552 57.4489 -2.08532 GPRESSURE: 1074200 317.464 -129.527 177.051 -2.69889 21.814 92.9376 107.027 37.9709 -87.0354 PRESSAVG: 1074200 -61.8453 -23.257 -14.6291 -23.257 28.575 -10.6859 -14.6291 -10.686 -3.99322 GPRESSAVG: 1074200 -60.7111 -21.7172 -13.4787 -27.7143 28.2117 -10.6836 -14.3753 -11.5771 -4.53619 TIMING: 1074200 CPU: 3350.63, 0.00312181/step Wall: 3350.63, 0.00312181/step, 3.40433 hours remaining, 234.253906 MB of memory in use. ENERGY: 1074200 3950.5324 20533.9298 14491.1838 249.5028 -203009.3854 2710.7605 0.0000 0.0000 52157.6853 -108915.7908 299.7509 -161073.4761 -108555.2880 299.4927 59.6359 84.0810 762095.7828 -12.4212 -12.3452 PRESSURE: 1074400 98.7152 -93.7614 -87.7761 -93.7606 362.408 -188.368 -87.776 -188.368 -69.6135 GPRESSURE: 1074400 118.226 -109.461 -165.323 -11.2103 409.492 -210.013 -91.7428 -103.82 -56.1959 PRESSAVG: 1074400 -4.39566 -52.2503 26.622 -52.2503 -17.5663 1.79286 26.6219 1.79292 0.20377 GPRESSAVG: 1074400 -3.77356 -51.2189 26.8447 -49.8914 -18.5917 2.98958 26.235 2.0098 0.274155 TIMING: 1074400 CPU: 3351.26, 0.0031293/step Wall: 3351.26, 0.0031293/step, 3.41233 hours remaining, 234.253906 MB of memory in use. ENERGY: 1074400 4049.7831 20536.3550 14461.0208 260.2163 -202907.4601 2668.4034 0.0000 0.0000 51780.3135 -109151.3680 297.5822 -160931.6815 -108793.9653 299.2958 130.5032 157.1742 761411.5900 -7.2527 -7.3637 PRESSURE: 1074600 153.992 202.987 -56.5643 202.986 -212.369 76.7368 -56.5654 76.7372 533.339 GPRESSURE: 1074600 222.195 312.778 -164.787 104.931 -140.575 114.383 -40.2478 18.7648 470.094 PRESSAVG: 1074600 -16.5978 0.164938 15.6534 0.164938 7.51387 16.3503 15.6533 16.3502 -24.1958 GPRESSAVG: 1074600 -18.8359 -0.946914 14.9694 -1.37346 9.15425 14.7172 15.0603 17.918 -23.5539 TIMING: 1074600 CPU: 3351.89, 0.00312641/step Wall: 3351.89, 0.00312641/step, 3.409 hours remaining, 234.253906 MB of memory in use. ENERGY: 1074600 3925.6710 20523.4287 14429.6129 251.7019 -203156.4685 2773.7515 0.0000 0.0000 51871.2696 -109381.0329 298.1049 -161252.3025 -109028.3065 298.8503 158.3208 183.9045 762760.7253 -11.0932 -11.0785 PRESSURE: 1074800 -373.151 261.977 -13.7884 261.978 -311.792 -220.93 -13.7888 -220.929 -8.13448 GPRESSURE: 1074800 -295.165 277.083 -57.3021 275.975 -300.225 -179.396 57.478 -169.172 -12.4578 PRESSAVG: 1074800 -61.0404 -21.2639 34.3678 -21.2639 24.337 4.75529 34.3677 4.75527 0.017383 GPRESSAVG: 1074800 -59.8946 -21.3189 33.5913 -17.8482 24.2831 3.57872 35.7879 4.67619 -0.888267 TIMING: 1074800 CPU: 3352.51, 0.00312257/step Wall: 3352.51, 0.00312257/step, 3.40464 hours remaining, 234.253906 MB of memory in use. ENERGY: 1074800 3966.9532 20438.7620 14476.4904 272.4187 -202958.2731 2493.1413 0.0000 0.0000 52004.0690 -109306.4384 298.8681 -161310.5074 -108944.8836 298.5871 -231.0260 -202.6159 763838.3816 -12.2287 -12.1666 PRESSURE: 1075000 -33.1877 -240.427 -21.1846 -240.428 -38.3039 262.312 -21.1861 262.313 -190.982 GPRESSURE: 1075000 -50.615 -235.539 -73.2682 -115.173 71.885 351.206 22.2347 2.33027 -186.975 PRESSAVG: 1075000 -28.5046 26.5285 -13.3239 26.5286 44.6145 -11.5975 -13.3239 -11.5974 14.6857 GPRESSAVG: 1075000 -28.889 27.074 -12.5837 24.8949 44.0713 -9.52531 -11.7452 -13.4173 15.9728 TIMING: 1075000 CPU: 3353.14, 0.00313341/step Wall: 3353.14, 0.00313341/step, 3.41628 hours remaining, 234.253906 MB of memory in use. ENERGY: 1075000 3967.0234 20342.5478 14417.5034 256.6979 -202984.6655 2692.2696 0.0000 0.0000 52039.3407 -109269.2826 299.0708 -161308.6234 -108910.5762 298.6172 -87.4913 -55.2351 763721.8150 10.2652 10.3850 PRESSURE: 1075200 -87.6849 -134.805 -43.6483 -134.806 361.935 -169.386 -43.6479 -169.387 400.91 GPRESSURE: 1075200 14.3186 -76.1158 -27.1698 -87.9909 408.344 -119.643 -87.1195 -126.998 344.997 PRESSAVG: 1075200 -54.2007 10.4202 -8.23154 10.4203 34.5767 -22.7657 -8.23157 -22.7657 -10.2307 GPRESSAVG: 1075200 -54.7641 9.61922 -6.45966 9.94981 34.4809 -23.66 -12.0166 -20.4654 -9.59409 TIMING: 1075200 CPU: 3353.76, 0.00312817/step Wall: 3353.76, 0.00312817/step, 3.4104 hours remaining, 234.253906 MB of memory in use. ENERGY: 1075200 3971.7373 20447.0139 14419.0561 260.1926 -203333.1843 2832.8929 0.0000 0.0000 52273.5903 -109128.7011 300.4170 -161402.2914 -108769.6657 298.8864 225.0535 255.8867 763437.5379 -9.9515 -9.9591 PRESSURE: 1075400 -150.798 -91.6225 -282.697 -91.6237 -279.667 -3.72874 -282.697 -3.72874 -210.318 GPRESSURE: 1075400 -120.847 -131.222 -201.636 -27.6083 -235.168 27.6323 -146.481 122.372 -190.223 PRESSAVG: 1075400 -41.6154 -33.5773 42.1201 -33.5773 8.32883 -48.7777 42.1201 -48.7778 -8.22796 GPRESSAVG: 1075400 -40.1829 -31.7512 41.2026 -31.9834 8.24831 -47.7514 43.8759 -49.0853 -9.26646 TIMING: 1075400 CPU: 3354.39, 0.00314809/step Wall: 3354.39, 0.00314809/step, 3.43194 hours remaining, 234.253906 MB of memory in use. ENERGY: 1075400 4015.7132 20511.2123 14470.8006 245.2533 -202852.7149 2536.3541 0.0000 0.0000 51992.9244 -109080.4571 298.8041 -161073.3814 -108722.9301 298.9963 -213.5944 -182.0794 764521.5063 -13.8382 -13.7337 PRESSURE: 1075600 17.4693 -106.092 275.647 -106.092 224.026 -21.6966 275.647 -21.6972 141.681 GPRESSURE: 1075600 52.259 -223.972 306.254 -69.3447 268.708 86.674 87.116 -118.193 131.965 PRESSAVG: 1075600 -67.6259 -18.5597 0.34807 -18.5598 36.3169 -7.08335 0.347999 -7.08336 -9.1144 GPRESSAVG: 1075600 -67.4806 -19.6931 -1.34055 -21.6926 36.3139 -6.91937 2.55076 -7.51951 -9.50609 TIMING: 1075600 CPU: 3355.02, 0.00314196/step Wall: 3355.02, 0.00314196/step, 3.42509 hours remaining, 234.253906 MB of memory in use. ENERGY: 1075600 3969.4015 20425.7412 14544.2140 246.0068 -203315.4056 2977.1470 0.0000 0.0000 52171.9513 -108980.9437 299.8329 -161152.8951 -108624.0725 299.2533 127.7254 150.9771 762042.1070 -13.4745 -13.5576 PRESSURE: 1075800 -142.316 -138.295 432.073 -138.294 -350.95 158.783 432.072 158.782 -540.216 GPRESSURE: 1075800 -161.889 -136.419 298.892 -170.548 -380.892 97.9063 325.884 28.4807 -396.71 PRESSAVG: 1075800 -22.4431 -37.0786 -41.1531 -37.0786 64.0494 -103.141 -41.153 -103.141 5.54782 GPRESSAVG: 1075800 -23.2417 -37.4807 -41.0692 -34.8065 64.8147 -103.73 -42.834 -106.775 5.54522 TIMING: 1075800 CPU: 3355.65, 0.00313906/step Wall: 3355.65, 0.00313906/step, 3.42175 hours remaining, 234.253906 MB of memory in use. ENERGY: 1075800 4011.2778 20693.4230 14485.9593 245.3995 -202668.3573 2317.9362 0.0000 0.0000 51925.8366 -108988.5249 298.4185 -160914.3614 -108628.4372 299.1014 -344.4942 -313.1638 762960.2253 15.7180 15.7061 PRESSURE: 1076000 -141.695 15.1318 -5.99366 15.132 232.261 -119.566 -5.99347 -119.567 -111.529 GPRESSURE: 1076000 -122.431 100.31 -7.2886 -144.918 302.517 -107.64 -29.2945 -85.1015 -85.8423 PRESSAVG: 1076000 -49.8677 -65.1407 -42.4356 -65.1408 11.6569 -41.4302 -42.4356 -41.4302 -32.6379 GPRESSAVG: 1076000 -49.1582 -63.4289 -39.7501 -64.9476 10.7062 -42.1947 -42.719 -39.1939 -32.154 TIMING: 1076000 CPU: 3356.27, 0.00313054/step Wall: 3356.27, 0.00313054/step, 3.41229 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1076000 4062.4867 20421.5280 14515.5615 246.6973 -202733.2329 2561.0789 0.0000 0.0000 51715.6730 -109210.2075 297.2107 -160925.8805 -108851.1955 298.7791 -6.9877 31.4145 763067.0745 -23.6162 -23.5353 PRESSURE: 1076200 -444.742 150.828 107.452 150.828 192.559 -74.6585 107.452 -74.6592 -70.8436 GPRESSURE: 1076200 -362.935 200.37 128.456 68.5657 204.435 -15.7237 170.523 26.612 -85.834 PRESSAVG: 1076200 -58.02 -3.51386 -51.3693 -3.51386 77.957 -45.5 -51.3693 -45.5 0.883664 GPRESSAVG: 1076200 -58.5799 -5.88739 -52.9143 -3.48089 79.3728 -45.5082 -51.313 -44.0311 -0.193766 TIMING: 1076200 CPU: 3356.9, 0.0031261/step Wall: 3356.9, 0.0031261/step, 3.40727 hours remaining, 234.253906 MB of memory in use. ENERGY: 1076200 3977.0420 20658.2750 14458.7481 254.6286 -202778.4223 2725.9388 0.0000 0.0000 51750.3840 -108953.4058 297.4102 -160703.7898 -108590.5504 299.0985 -107.6757 -81.4446 763586.4540 6.9402 6.8664 LDB: ============= START OF LOAD BALANCING ============== 3369.38 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3369.38 LDB: =============== DONE WITH MIGRATION ================ 3369.38 LDB: ============= START OF LOAD BALANCING ============== 3369.7 LDB: Largest compute 7059 load 0.031749 is 16.3% of average load 0.195119 LDB: Average compute 0.004393 is 2.3% of average load 0.195119 LDB: TIME 3369.7 LOAD: AVG 0.195119 MAX 0.214324 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.246 MB LDB: TIME 3369.7 LOAD: AVG 0.195119 MAX 0.214324 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.246 MB LDB: TIME 3369.7 LOAD: AVG 0.195119 MAX 0.214324 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.246 MB LDB: ============== END OF LOAD BALANCING =============== 3369.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3369.71 PRESSURE: 1076400 436.016 -120.242 -79.8681 -120.242 145.537 90.7377 -79.868 90.7377 294.923 GPRESSURE: 1076400 395.76 -3.21824 -157.166 -28.611 287.548 86.0181 47.2268 116.855 269.6 PRESSAVG: 1076400 -61.9739 -55.0433 23.2117 -55.0433 31.5497 12.2796 23.2117 12.2796 -7.82867 GPRESSAVG: 1076400 -60.7552 -51.9663 21.6173 -57.7541 31.1968 10.7626 23.1968 13.464 -8.95695 TIMING: 1076400 CPU: 3357.54, 0.00320942/step Wall: 3357.54, 0.00320942/step, 3.49791 hours remaining, 234.957031 MB of memory in use. ENERGY: 1076400 3960.2219 20530.2865 14441.5601 240.0480 -203146.4182 2715.7057 0.0000 0.0000 52419.9394 -108838.6566 301.2581 -161258.5960 -108472.4031 299.7570 292.1585 317.6360 760796.1499 -12.7510 -12.8385 PRESSURE: 1076600 -261.024 18.5913 -404.493 18.5922 32.2903 -144.279 -404.494 -144.278 -10.3658 GPRESSURE: 1076600 -212.862 33.9657 -393.123 20.2516 54.7487 -101.762 -223.72 -134.794 -12.8672 PRESSAVG: 1076600 -57.7351 -37.5974 8.27849 -37.5973 26.4126 -27.8757 8.27848 -27.8758 -13.94 GPRESSAVG: 1076600 -59.7737 -40.4267 9.86417 -36.299 26.239 -27.0768 10.1073 -28.5717 -12.0636 TIMING: 1076600 CPU: 3358.17, 0.00315401/step Wall: 3358.17, 0.00315401/step, 3.43735 hours remaining, 235.160156 MB of memory in use. ENERGY: 1076600 3984.7372 20434.5313 14372.0467 246.5945 -203263.6791 2925.9497 0.0000 0.0000 52219.2603 -109080.5594 300.1048 -161299.8197 -108716.0378 299.5854 -79.6997 -56.9935 764793.7753 -15.0875 -15.1994 PRESSURE: 1076800 -121.971 -67.7344 180.887 -67.7334 82.672 -48.8578 180.886 -48.8581 5.87773 GPRESSURE: 1076800 53.425 5.05465 270.1 -134.674 -2.16895 -117.079 45.8841 139.924 7.64375 PRESSAVG: 1076800 -100.75 17.1749 2.74471 17.1749 30.9395 17.7776 2.74469 17.7776 -16.9294 GPRESSAVG: 1076800 -98.4763 20.4922 2.31568 17.6203 28.439 16.6851 -0.626057 16.3229 -17.2064 TIMING: 1076800 CPU: 3358.8, 0.00312242/step Wall: 3358.8, 0.00312242/step, 3.40274 hours remaining, 235.160156 MB of memory in use. ENERGY: 1076800 4010.1878 20469.3300 14362.0050 249.8547 -203410.2120 3034.6224 0.0000 0.0000 52263.9594 -109020.2527 300.3617 -161284.2121 -108656.6632 299.4486 -11.1403 19.6333 764073.0685 -28.9134 -29.0812 PRESSURE: 1077000 72.5167 196.484 116.832 196.484 448.783 14.9557 116.831 14.9558 109.351 GPRESSURE: 1077000 113.407 24.5174 126.886 330.456 385.69 50.4423 62.1118 -36.6861 202.601 PRESSAVG: 1077000 -12.9131 -22.0787 29.9565 -22.0787 11.7818 21.6704 29.9566 21.6704 -0.478702 GPRESSAVG: 1077000 -13.9866 -22.4007 31.0041 -20.7033 13.2896 23.106 31.8499 23.4543 -1.01936 TIMING: 1077000 CPU: 3359.42, 0.00312504/step Wall: 3359.42, 0.00312504/step, 3.40542 hours remaining, 235.160156 MB of memory in use. ENERGY: 1077000 4026.4038 20486.7150 14478.6319 241.7459 -203198.2630 2868.0259 0.0000 0.0000 51877.0432 -109219.6973 298.1381 -161096.7406 -108860.4743 299.1894 210.2169 233.8993 764121.5426 -0.5367 -0.5721 PRESSURE: 1077200 -133.437 -102.387 -134.121 -102.387 -186.379 224.001 -134.121 224.001 -202.269 GPRESSURE: 1077200 -81.4599 -92.2353 -45.8169 -186.725 -168.653 213.761 -187.863 197.279 -200.241 PRESSAVG: 1077200 -43.6218 16.421 28.42 16.421 17.0392 1.49252 28.42 1.49254 -0.383111 GPRESSAVG: 1077200 -42.3307 16.6533 27.6763 15.6142 16.3724 0.559783 28.8736 0.836008 -1.11835 TIMING: 1077200 CPU: 3360.05, 0.00313551/step Wall: 3360.05, 0.00313551/step, 3.41666 hours remaining, 235.160156 MB of memory in use. ENERGY: 1077200 3999.4071 20499.6563 14463.0070 247.2967 -203142.1393 2678.5906 0.0000 0.0000 52003.5179 -109250.6637 298.8649 -161254.1816 -108892.3401 298.9430 -174.0283 -150.1179 763810.2332 -8.9886 -9.0256 PRESSURE: 1077400 70.4496 107.352 32.5778 107.354 -134.945 -121.013 32.5779 -121.013 313.544 GPRESSURE: 1077400 44.6534 -60.8863 -42.1974 31.5398 15.8241 -128.094 89.5304 -102.177 285.507 PRESSAVG: 1077400 9.80947 -65.0301 -8.516 -65.0301 8.17852 19.935 -8.51601 19.935 18.5306 GPRESSAVG: 1077400 9.27951 -65.3428 -8.27955 -65.7463 9.77461 20.8326 -11.0387 20.1591 17.195 TIMING: 1077400 CPU: 3360.68, 0.00313642/step Wall: 3360.68, 0.00313642/step, 3.41747 hours remaining, 235.160156 MB of memory in use. ENERGY: 1077400 4003.9556 20367.1092 14459.2561 237.2541 -203123.7103 3026.4907 0.0000 0.0000 51882.7578 -109146.8868 298.1709 -161029.6446 -108787.9401 298.2000 83.0160 115.3280 763841.5314 12.1729 12.0830 PRESSURE: 1077600 -187.34 44.9269 36.0597 44.9263 -256.438 239.175 36.0596 239.176 219.78 GPRESSURE: 1077600 -24.834 25.7254 71.6776 25.4663 -303.898 200.836 -38.5921 217.054 185.271 PRESSAVG: 1077600 10.6003 -77.4381 -8.30803 -77.4381 -88.7776 34.4212 -8.30803 34.4212 -5.94788 GPRESSAVG: 1077600 10.1863 -76.1025 -9.40362 -78.3286 -90.1556 34.6653 -4.6803 34.5174 -4.61697 TIMING: 1077600 CPU: 3361.3, 0.00312555/step Wall: 3361.3, 0.00312555/step, 3.40546 hours remaining, 235.160156 MB of memory in use. ENERGY: 1077600 4024.2090 20302.7712 14402.6316 238.2608 -202765.5791 2683.6390 0.0000 0.0000 52112.2584 -109001.8092 299.4899 -161114.0676 -108641.2878 298.8794 -74.6659 -47.8204 766335.9381 -28.0417 -28.1954 PRESSURE: 1077800 30.3732 -137.101 267.887 -137.102 226.829 117.083 267.887 117.082 -86.3558 GPRESSURE: 1077800 38.4765 -61.9753 214.561 -155.548 215.629 88.4926 353.313 -10.4799 -4.65209 PRESSAVG: 1077800 -23.7013 -13.1754 26.8005 -13.1753 -6.18588 22.7143 26.8005 22.7143 -10.8433 GPRESSAVG: 1077800 -24.3811 -15.1498 28.0834 -11.5842 -5.76649 23.7985 25.3289 21.5916 -10.8587 TIMING: 1077800 CPU: 3361.93, 0.00313592/step Wall: 3361.93, 0.00313592/step, 3.41658 hours remaining, 235.160156 MB of memory in use. ENERGY: 1077800 4013.0759 20514.1871 14447.9887 253.7610 -203085.8155 2902.2693 0.0000 0.0000 52204.9762 -108749.5575 300.0227 -160954.5336 -108389.3576 299.7079 56.9486 83.1511 764349.2026 -13.5768 -13.6688 PRESSURE: 1078000 -342.022 -19.8214 69.2074 -19.8218 -137.812 -250.463 69.2068 -250.462 -300.752 GPRESSURE: 1078000 -328.065 51.572 141.616 51.6056 -128.432 -291.004 -64.4144 -147.096 -255.875 PRESSAVG: 1078000 -6.10197 -13.1014 6.29226 -13.1014 39.3217 29.8732 6.29213 29.8731 6.41941 GPRESSAVG: 1078000 -6.23123 -12.9436 6.3929 -12.2041 39.3334 29.0397 5.13607 29.5875 6.33563 TIMING: 1078000 CPU: 3362.56, 0.00315513/step Wall: 3362.56, 0.00315513/step, 3.43734 hours remaining, 235.160156 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: 1078000 3978.4741 20506.0036 14493.9619 223.7894 -202451.6114 2238.3959 0.0000 0.0000 52126.7442 -108884.2423 299.5731 -161010.9865 -108519.2119 300.1038 -260.1957 -237.4576 764917.2959 13.2130 13.1459 PRESSURE: 1078200 -219.874 -77.0033 -375.202 -77.0036 -32.2673 -27.8167 -375.201 -27.8175 189.662 GPRESSURE: 1078200 -232.201 -19.293 -342.063 -46.0027 30.6689 -60.3766 -505.393 44.9879 204.696 PRESSAVG: 1078200 11.5929 -46.7265 -66.1565 -46.7265 24.2356 15.9409 -66.1565 15.9409 36.6798 GPRESSAVG: 1078200 12.318 -44.0441 -64.0654 -48.2537 23.9981 17.2622 -67.4643 16.5135 36.686 TIMING: 1078200 CPU: 3363.19, 0.00313439/step Wall: 3363.19, 0.00313439/step, 3.41457 hours remaining, 235.160156 MB of memory in use. ENERGY: 1078200 3990.6267 20465.5715 14429.6168 234.9060 -202822.5729 2639.4230 0.0000 0.0000 52119.8585 -108942.5705 299.5335 -161062.4289 -108576.5552 299.5118 -20.8265 1.0546 763121.9032 24.1694 24.3340 PRESSURE: 1078400 -240.196 46.2681 -11.4333 46.2674 -306.515 192.238 -11.4324 192.238 -228.78 GPRESSURE: 1078400 -200.37 49.9318 -100.412 98.8097 -173.433 128.778 -7.63044 147.305 -313.384 PRESSAVG: 1078400 -47.5209 -58.3158 -32.1755 -58.3158 19.2711 24.2611 -32.1755 24.2612 -23.0366 GPRESSAVG: 1078400 -48.8385 -62.0454 -33.9602 -57.5191 20.6833 23.1339 -30.7568 24.7771 -23.8334 TIMING: 1078400 CPU: 3363.81, 0.00311448/step Wall: 3363.81, 0.00311448/step, 3.39271 hours remaining, 235.160156 MB of memory in use. ENERGY: 1078400 4065.6313 20279.2035 14457.9690 226.8263 -203212.7830 2929.2055 0.0000 0.0000 52306.7018 -108947.2456 300.6073 -161253.9475 -108579.4221 299.3605 -258.4969 -229.0622 764104.0777 -17.0954 -17.3295 PRESSURE: 1078600 -170.378 -194.415 39.7915 -194.415 254.171 -41.9402 39.7918 -41.9397 163.12 GPRESSURE: 1078600 -95.0552 -219.622 96.1748 -158.59 262.597 -36.18 69.5902 77.07 191.245 PRESSAVG: 1078600 -20.5796 -63.8149 -18.1617 -63.8149 55.5174 -50.505 -18.1618 -50.505 18.2834 GPRESSAVG: 1078600 -19.0227 -62.3146 -15.3867 -64.5528 53.0509 -48.5286 -15.6056 -53.3359 18.9355 TIMING: 1078600 CPU: 3364.43, 0.00310869/step Wall: 3364.43, 0.00310869/step, 3.38623 hours remaining, 235.160156 MB of memory in use. ENERGY: 1078600 3948.2727 20340.3899 14422.9238 258.3637 -202996.4057 2925.2283 0.0000 0.0000 52248.4892 -108852.7381 300.2728 -161101.2273 -108488.5915 300.3129 82.3046 119.5956 764087.8320 17.7404 17.6546 PRESSURE: 1078800 -204.874 -77.3396 126.855 -77.3396 -132.142 -229.743 126.856 -229.743 34.5467 GPRESSURE: 1078800 -167.32 -72.2806 156.511 -133.098 -86.8712 -271.366 67.9325 -29.2858 72.3939 PRESSAVG: 1078800 -6.96745 -57.412 -8.26479 -57.412 23.9819 14.5166 -8.26475 14.5167 -20.1867 GPRESSAVG: 1078800 -7.55689 -59.9563 -12.1461 -55.842 23.7644 11.055 -9.39703 18.726 -19.3511 TIMING: 1078800 CPU: 3365.05, 0.00311044/step Wall: 3365.05, 0.00311044/step, 3.38796 hours remaining, 235.160156 MB of memory in use. ENERGY: 1078800 3931.0045 20409.6735 14456.8780 249.3319 -202715.0481 2675.9011 0.0000 0.0000 52178.8452 -108813.4139 299.8725 -160992.2591 -108446.9737 299.7326 -100.8230 -60.5991 764165.0090 -1.0574 -1.0479 PRESSURE: 1079000 -63.0086 0.490503 -32.4508 0.490667 -256.563 32.5936 -32.4505 32.5937 -165.556 GPRESSURE: 1079000 35.763 26.7452 -17.2422 -15.7546 -320.959 64.6462 -53.4692 -56.3717 -108.335 PRESSAVG: 1079000 27.5968 -32.1884 9.41923 -32.1885 -22.2736 -16.966 9.41919 -16.966 -16.9848 GPRESSAVG: 1079000 27.9824 -31.8987 10.4273 -31.9084 -21.5561 -15.0573 7.6493 -19.3819 -18.4078 TIMING: 1079000 CPU: 3365.68, 0.00311745/step Wall: 3365.68, 0.00311745/step, 3.39542 hours remaining, 235.160156 MB of memory in use. ENERGY: 1079000 4005.5077 20538.4500 14483.3933 232.4840 -202811.3501 2785.0021 0.0000 0.0000 52052.6078 -108713.9053 299.1471 -160766.5130 -108365.2614 299.8014 -161.7092 -131.1772 764678.3147 -3.8872 -3.9939 PRESSURE: 1079200 -126.881 -126.429 -189.632 -126.429 233.309 137.443 -189.632 137.442 3.48058 GPRESSURE: 1079200 -116.004 -145.364 -236.24 -92.9775 290.066 52.3629 -7.80867 246.812 6.44233 PRESSAVG: 1079200 -16.3193 -9.75848 31.4801 -9.75848 33.3952 -19.223 31.4802 -19.2229 -10.8025 GPRESSAVG: 1079200 -17.0784 -10.463 30.6354 -8.97811 32.8931 -19.4139 34.2235 -16.6861 -9.43031 TIMING: 1079200 CPU: 3366.3, 0.00310027/step Wall: 3366.3, 0.00310027/step, 3.37654 hours remaining, 235.160156 MB of memory in use. ENERGY: 1079200 3950.0613 20494.7660 14441.5286 253.1232 -203290.1598 2943.9083 0.0000 0.0000 52383.7345 -108823.0378 301.0500 -161206.7723 -108463.2723 300.3222 36.6363 60.1680 764506.9063 2.0911 2.1281 PRESSURE: 1079400 121.969 -71.065 -48.7267 -71.0651 479.951 -230.206 -48.7274 -230.207 70.9383 GPRESSURE: 1079400 199.366 16.3144 46.5573 -6.67537 501.327 -116.832 -65.6063 -270.392 49.7828 PRESSAVG: 1079400 15.1991 -15.2526 -28.3487 -15.2526 -1.18355 -0.353237 -28.3487 -0.353264 -27.5858 GPRESSAVG: 1079400 15.4287 -15.4814 -27.7683 -14.801 0.469487 1.32082 -29.8906 -2.35629 -28.9352 TIMING: 1079400 CPU: 3366.92, 0.00311549/step Wall: 3366.92, 0.00311548/step, 3.39294 hours remaining, 235.160156 MB of memory in use. ENERGY: 1079400 4018.7134 20575.4458 14517.3807 257.9540 -203306.7938 2746.9220 0.0000 0.0000 52211.4464 -108978.9315 300.0599 -161190.3779 -108610.7000 299.4699 224.2861 250.1587 761089.0040 -4.5234 -4.3457 PRESSURE: 1079600 114.226 83.798 -145.948 83.7977 -166.086 -28.7329 -145.947 -28.7326 -38.6675 GPRESSURE: 1079600 100.617 104.118 -219.626 23.9868 -11.6211 -6.54225 -166.243 -8.42113 -82.8335 PRESSAVG: 1079600 61.1934 -19.7847 0.748418 -19.7846 -25.4033 -28.9689 0.748402 -28.969 1.20315 GPRESSAVG: 1079600 60.8694 -18.1216 1.13229 -22.687 -26.6523 -32.4728 -0.539179 -26.742 2.50007 TIMING: 1079600 CPU: 3367.54, 0.00310186/step Wall: 3367.54, 0.00310186/step, 3.37793 hours remaining, 235.160156 MB of memory in use. ENERGY: 1079600 4048.1637 20618.8734 14482.1804 236.7846 -203035.6695 2774.7294 0.0000 0.0000 52048.3887 -108826.5494 299.1228 -160874.9381 -108466.1686 299.3107 -30.1757 2.0543 763278.4604 12.3311 12.2391 PRESSURE: 1079800 229.637 -54.453 166.38 -54.4535 268.352 -118.937 166.381 -118.937 163.71 GPRESSURE: 1079800 239.965 38.3888 61.4905 -87.8582 305.212 -236.112 200.969 -10.9859 208.903 PRESSAVG: 1079800 21.2208 -17.5942 -34.9956 -17.5942 -8.12789 -4.11918 -34.9956 -4.11913 13.5322 GPRESSAVG: 1079800 20.9203 -18.2334 -36.6102 -15.3139 -7.50471 -2.22002 -33.0847 -6.64852 13.1531 TIMING: 1079800 CPU: 3368.16, 0.00311834/step Wall: 3368.16, 0.00311834/step, 3.3957 hours remaining, 235.160156 MB of memory in use. ENERGY: 1079800 4032.2365 20572.8678 14505.4760 238.4818 -203390.3270 2830.6332 0.0000 0.0000 52153.7271 -109056.9046 299.7282 -161210.6317 -108689.1790 300.0142 220.5664 251.3600 763210.5694 8.8750 8.8562 PRESSURE: 1080000 -33.3169 -75.7967 -173.056 -75.7972 53.3549 125.135 -173.056 125.135 -162.501 GPRESSURE: 1080000 44.5542 -1.41098 -96.9403 74.1884 3.0361 126.045 -183.491 187.397 -109.786 PRESSAVG: 1080000 -25.9488 -2.8993 -43.4107 -2.89931 8.61628 87.2973 -43.4107 87.2974 -13.5719 GPRESSAVG: 1080000 -24.3131 -2.62231 -40.178 -2.25946 7.82032 86.1081 -45.2313 89.874 -14.1053 TIMING: 1080000 CPU: 3368.78, 0.00309898/step Wall: 3368.78, 0.00309898/step, 3.37445 hours remaining, 235.160156 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: 1080000 3985.4581 20461.9636 14417.6353 250.8468 -202977.9055 2638.7258 0.0000 0.0000 52019.7623 -109203.5135 298.9583 -161223.2758 -108833.3842 299.6822 -47.4876 -20.7319 764524.5214 -10.3014 -10.1994 PRESSURE: 1080200 564.66 29.2737 -131.237 29.2732 164.113 -179.494 -131.238 -179.494 -23.1952 GPRESSURE: 1080200 513.145 17.4113 -107.71 100.949 205.674 -189.718 -85.2833 -91.8991 65.1258 PRESSAVG: 1080200 35.3459 32.2131 -19.9038 32.2131 -6.24082 72.4855 -19.9039 72.4854 -29.6239 GPRESSAVG: 1080200 35.8158 32.2156 -20.9996 31.9662 -5.93212 72.3144 -20.608 71.8053 -30.4721 TIMING: 1080200 CPU: 3369.41, 0.00312354/step Wall: 3369.41, 0.00312354/step, 3.40102 hours remaining, 235.160156 MB of memory in use. ENERGY: 1080200 3996.9923 20569.0490 14518.7557 270.0797 -203684.9513 3099.1842 0.0000 0.0000 52107.0518 -109123.8386 299.4599 -161230.8904 -108764.7260 299.4967 235.1925 261.3148 762807.6421 -0.1730 -0.1961 LDB: ============= START OF LOAD BALANCING ============== 3381.89 LDB: ============== END OF LOAD BALANCING =============== 3381.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3381.89 LDB: ============= START OF LOAD BALANCING ============== 3382.21 LDB: Largest compute 6972 load 0.031622 is 16.2% of average load 0.195001 LDB: Average compute 0.004379 is 2.2% of average load 0.195001 LDB: TIME 3382.21 LOAD: AVG 0.195001 MAX 0.212322 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.312 MB LDB: TIME 3382.21 LOAD: AVG 0.195001 MAX 0.212322 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.52 MB LDB: TIME 3382.21 LOAD: AVG 0.195001 MAX 0.212322 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.52 MB LDB: ============== END OF LOAD BALANCING =============== 3382.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3382.22 PRESSURE: 1080400 -173.398 142.387 112.231 142.386 -171.912 -95.7803 112.23 -95.7791 129.886 GPRESSURE: 1080400 -131.571 204.402 20.2706 112.27 -117.662 -61.824 108.658 -79.5445 111.64 PRESSAVG: 1080400 -31.6542 21.6522 -41.3978 21.6522 43.8077 36.3672 -41.3978 36.3672 22.3566 GPRESSAVG: 1080400 -34.5477 23.7361 -40.7402 20.1179 44.1133 36.2073 -41.6311 35.2734 24.2258 TIMING: 1080400 CPU: 3370.05, 0.00321087/step Wall: 3370.05, 0.00321087/step, 3.49592 hours remaining, 234.253906 MB of memory in use. ENERGY: 1080400 4010.1954 20588.0087 14502.6510 264.7334 -203422.3687 2948.9374 0.0000 0.0000 52204.0139 -108903.8289 300.0172 -161107.8428 -108543.4823 299.3858 -71.8078 -45.8644 763901.2286 11.5034 11.2638 PRESSURE: 1080600 -124.424 -0.821822 20.7215 -0.821962 -199.128 -53.2054 20.7215 -53.2055 -369.525 GPRESSURE: 1080600 -75.4237 18.2051 -38.6185 -25.8547 -151.852 -17.3533 92.4299 -47.6703 -376.629 PRESSAVG: 1080600 -20.4404 14.01 -35.4768 14.01 -8.39532 -5.23704 -35.4768 -5.23703 -13.0937 GPRESSAVG: 1080600 -18.1186 10.2196 -35.1702 15.5988 -9.42431 -4.01639 -32.6677 -4.21815 -13.9112 TIMING: 1080600 CPU: 3370.67, 0.00310211/step Wall: 3370.67, 0.00310211/step, 3.37734 hours remaining, 234.253906 MB of memory in use. ENERGY: 1080600 3962.4115 20555.1427 14453.3492 240.4735 -203217.7349 2700.3399 0.0000 0.0000 52210.2474 -109095.7708 300.0530 -161306.0182 -108727.4238 299.1622 -231.0255 -201.3015 763961.8977 -13.9765 -13.8180 PRESSURE: 1080800 -263.039 17.921 43.8637 17.9219 60.5408 51.4075 43.8646 51.4077 783.791 GPRESSURE: 1080800 -225.899 -58.4343 26.5842 -56.2545 155.215 86.9344 171.526 18.7138 741.972 PRESSAVG: 1080800 9.38957 -2.12407 25.5672 -2.12404 -24.9102 38.5877 25.5673 38.5877 -12.0231 GPRESSAVG: 1080800 7.86693 -3.0558 25.5128 -1.86661 -24.5661 37.65 23.1311 38.2672 -11.5119 TIMING: 1080800 CPU: 3371.29, 0.00311965/step Wall: 3371.29, 0.00311965/step, 3.39626 hours remaining, 234.253906 MB of memory in use. ENERGY: 1080800 4059.2712 20490.0166 14518.5708 257.7315 -203323.7436 2878.1560 0.0000 0.0000 52148.4581 -108971.5392 299.6979 -161119.9973 -108608.6045 299.3711 193.7641 223.7625 761896.3173 -9.1812 -9.4037 PRESSURE: 1081000 347.372 -57.9031 -49.7616 -57.9029 137.622 -119.211 -49.7613 -119.211 -385.686 GPRESSURE: 1081000 243.942 -13.8864 -51.893 -77.7434 184.623 -73.4847 -109.112 -81.6083 -241.052 PRESSAVG: 1081000 19.8526 -10.2029 82.1794 -10.2029 29.4326 49.4273 82.1795 49.4273 -2.70036 GPRESSAVG: 1081000 18.993 -8.00631 80.3243 -11.4618 29.0795 49.5405 81.5928 49.1573 -1.76894 TIMING: 1081000 CPU: 3371.92, 0.00312709/step Wall: 3371.92, 0.00312709/step, 3.40418 hours remaining, 234.253906 MB of memory in use. ENERGY: 1081000 4027.8854 20484.8189 14434.8262 248.6410 -203226.5234 2955.6423 0.0000 0.0000 52113.5239 -108961.1857 299.4971 -161074.7096 -108606.3363 299.6312 33.1026 62.5046 764346.0705 15.5283 15.4345 PRESSURE: 1081200 42.7002 -69.8506 244.985 -69.8501 95.4571 -58.4651 244.985 -58.4645 -126.678 GPRESSURE: 1081200 93.2961 -128.518 202.838 62.2921 38.2259 -167.974 151.868 -4.5249 -39.7317 PRESSAVG: 1081200 2.41977 -34.4947 30.8662 -34.4946 65.2162 87.5779 30.8663 87.5778 38.2613 GPRESSAVG: 1081200 2.58349 -31.8837 32.4662 -33.9499 65.5306 87.1645 33.31 85.5714 37.7313 TIMING: 1081200 CPU: 3372.55, 0.0031255/step Wall: 3372.55, 0.0031255/step, 3.40228 hours remaining, 234.253906 MB of memory in use. ENERGY: 1081200 4003.6355 20733.2059 14490.3115 241.6663 -203003.5393 2651.9382 0.0000 0.0000 52137.5328 -108745.2493 299.6351 -160882.7821 -108389.9892 299.7262 3.8266 30.5968 763951.8963 35.2991 35.2818 PRESSURE: 1081400 224.003 -141.479 137.081 -141.479 104.746 -25.2584 137.082 -25.2585 8.60513 GPRESSURE: 1081400 336.994 -100.38 153.064 -120.993 33.7132 12.2053 165.967 5.07222 46.7394 PRESSAVG: 1081400 -32.1118 5.80739 45.5737 5.80741 37.3057 0.426102 45.5737 0.426105 -28.0004 GPRESSAVG: 1081400 -30.9206 4.2416 45.5391 7.24581 38.5024 2.3736 45.017 2.34768 -30.1428 TIMING: 1081400 CPU: 3373.17, 0.00314148/step Wall: 3373.17, 0.00314148/step, 3.4195 hours remaining, 234.253906 MB of memory in use. ENERGY: 1081400 4013.0612 20721.0728 14474.4324 249.6064 -202794.7657 2756.8399 0.0000 0.0000 51995.4228 -108584.3301 298.8184 -160579.7530 -108228.4756 299.8298 112.4514 139.1487 763387.2451 -7.6022 -7.5203 PRESSURE: 1081600 105.037 48.1422 -17.8091 48.1419 256.373 -21.9393 -17.8089 -21.9392 78.8742 GPRESSURE: 1081600 58.6047 44.0867 2.2233 54.6115 374.485 -21.9458 -73.1006 -86.8643 87.9115 PRESSAVG: 1081600 -17.6763 -52.3115 63.3634 -52.3115 -20.6258 -0.970431 63.3634 -0.970364 19.6387 GPRESSAVG: 1081600 -16.8301 -53.1318 62.888 -53.611 -21.5527 -2.49654 64.1492 -1.63269 20.1139 TIMING: 1081600 CPU: 3373.8, 0.00313279/step Wall: 3373.8, 0.00313279/step, 3.40987 hours remaining, 234.253906 MB of memory in use. ENERGY: 1081600 3985.6643 20640.6550 14455.0531 254.7344 -202709.9883 2523.5289 0.0000 0.0000 52178.6459 -108671.7067 299.8714 -160850.3526 -108308.1536 300.4050 146.7612 173.6671 762003.6476 -6.2211 -6.0896 PRESSURE: 1081800 226.143 65.9825 217.817 65.9837 280.902 90.2658 217.817 90.2662 0.382603 GPRESSURE: 1081800 224.748 -30.4944 139.983 86.7126 327.1 49.2488 177.251 181.888 40.3845 PRESSAVG: 1081800 -17.5695 -30.1424 -21.2535 -30.1425 29.4351 -38.1647 -21.2536 -38.1647 -1.38284 GPRESSAVG: 1081800 -18.405 -28.6172 -19.6428 -29.8712 29.1754 -37.7748 -24.6452 -37.6193 -0.702067 TIMING: 1081800 CPU: 3374.43, 0.00312754/step Wall: 3374.43, 0.00312754/step, 3.40398 hours remaining, 234.253906 MB of memory in use. ENERGY: 1081800 3950.5967 20497.6675 14493.2437 262.4810 -203094.8766 2854.9067 0.0000 0.0000 52380.7757 -108655.2051 301.0330 -161035.9808 -108284.2273 300.1522 169.1424 197.4109 762987.7601 3.4943 3.3561 PRESSURE: 1082000 -146.329 162.787 72.697 162.788 -138.228 -216.324 72.6971 -216.323 1.4859 GPRESSURE: 1082000 -167.068 58.1462 211.506 170.985 -69.3255 -200.172 53.8064 -309.812 21.2342 PRESSAVG: 1082000 -54.4748 -58.3342 22.2484 -58.3343 53.3511 -19.6137 22.2485 -19.6137 1.14064 GPRESSAVG: 1082000 -55.0595 -59.7649 20.9277 -59.323 54.367 -19.3233 26.2983 -22.4062 0.513106 TIMING: 1082000 CPU: 3375.05, 0.00311954/step Wall: 3375.05, 0.00311954/step, 3.3951 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1082000 4062.5342 20753.6264 14464.6781 245.9688 -202867.2709 2816.9390 0.0000 0.0000 51677.7105 -108845.8140 296.9925 -160523.5245 -108502.3704 299.7053 -94.3569 -71.7198 762166.3072 0.0057 -0.0598 PRESSURE: 1082200 -575.327 -81.6641 -150.409 -81.6641 -146.863 -28.3637 -150.41 -28.3636 -173.702 GPRESSURE: 1082200 -452.544 -147.289 -130.319 19.0351 -161.137 -67.9093 -78.2246 -14.8704 -198.701 PRESSAVG: 1082200 -23.3778 47.2989 37.9431 47.299 17.8639 -11.887 37.943 -11.887 -9.84557 GPRESSAVG: 1082200 -23.11 47.565 39.5275 48.4356 17.2373 -10.6098 36.3585 -12.2475 -9.40677 TIMING: 1082200 CPU: 3375.67, 0.00312153/step Wall: 3375.67, 0.00312153/step, 3.39709 hours remaining, 234.253906 MB of memory in use. ENERGY: 1082200 4017.4251 20508.5412 14482.6436 233.0515 -203213.1946 2810.6045 0.0000 0.0000 52242.6272 -108918.3015 300.2391 -161160.9287 -108553.2726 299.5597 -298.6306 -270.7940 762132.4497 -5.1198 -5.0931 PRESSURE: 1082400 -161.825 -159.286 -36.2703 -159.285 -0.418041 67.7969 -36.2696 67.797 394.956 GPRESSURE: 1082400 -58.2828 -167.993 -44.3722 -91.1421 16.5896 69.8901 -110.323 40.3326 373.086 PRESSAVG: 1082400 -16.0632 -5.91934 -23.3441 -5.91937 -18.746 -32.6236 -23.344 -32.6235 -6.90439 GPRESSAVG: 1082400 -15.7378 -5.61072 -24.9634 -4.31516 -18.0581 -32.5964 -23.2146 -28.9316 -7.52012 TIMING: 1082400 CPU: 3376.3, 0.00311179/step Wall: 3376.3, 0.00311179/step, 3.38632 hours remaining, 234.253906 MB of memory in use. ENERGY: 1082400 4033.2718 20680.6481 14486.4908 242.8240 -203567.6225 3123.3954 0.0000 0.0000 52242.2639 -108758.7285 300.2370 -161000.9924 -108394.7746 299.7449 77.5709 110.4644 761887.7229 -13.9045 -13.7720 PRESSURE: 1082600 -36.6563 59.5963 95.451 59.5968 -268.696 11.902 95.4508 11.9024 -94.469 GPRESSURE: 1082600 9.68878 21.985 30.8738 44.5504 -193.568 -0.979576 87.7818 34.4797 -123.611 PRESSAVG: 1082600 -21.8169 -22.3499 19.9359 -22.3499 -4.24845 -8.29445 19.9359 -8.29447 -0.468693 GPRESSAVG: 1082600 -22.9383 -18.6154 17.7485 -22.5938 -5.23301 -8.57418 21.0988 -9.15146 1.85323 TIMING: 1082600 CPU: 3376.92, 0.00311935/step Wall: 3376.92, 0.00311935/step, 3.39437 hours remaining, 234.253906 MB of memory in use. ENERGY: 1082600 4022.5395 20465.5537 14383.2458 257.5201 -202672.7776 2696.4333 0.0000 0.0000 52040.5866 -108806.8985 299.0780 -160847.4850 -108437.8217 299.6145 -133.2737 -102.4968 763171.4102 -8.8447 -8.7727 PRESSURE: 1082800 245.346 -0.0230117 45.3121 -0.0233733 174.297 381.855 45.3121 381.854 168.899 GPRESSURE: 1082800 164.027 68.6784 144.315 -169.86 289.251 352.225 -78.6258 236.496 218.161 PRESSAVG: 1082800 17.0317 70.7084 14.2976 70.7084 36.4883 -24.9152 14.2975 -24.9153 16.6485 GPRESSAVG: 1082800 17.8852 67.4933 15.2041 68.6941 36.4433 -26.9624 12.6827 -26.55 15.9118 TIMING: 1082800 CPU: 3377.55, 0.0031351/step Wall: 3377.55, 0.0031351/step, 3.41134 hours remaining, 234.253906 MB of memory in use. ENERGY: 1082800 3946.6577 20593.8990 14462.8031 245.5066 -203041.2904 2846.4469 0.0000 0.0000 51990.1315 -108955.8456 298.7880 -160945.9771 -108595.8525 299.3405 196.1806 223.8129 761604.9601 23.3895 23.4134 PRESSURE: 1083000 -60.4317 82.3836 69.8722 82.3831 -29.2049 98.3748 69.8708 98.3734 234.105 GPRESSURE: 1083000 -71.3687 54.3141 68.4975 180.069 182.067 171.005 131.411 45.3442 124.121 PRESSAVG: 1083000 -0.487494 27.5549 -2.22125 27.5549 15.6803 -6.22487 -2.22121 -6.22488 -8.34399 GPRESSAVG: 1083000 0.308217 27.1531 -2.67822 30.1835 15.4906 -6.87514 -0.752732 -4.48861 -8.97507 TIMING: 1083000 CPU: 3378.17, 0.00313622/step Wall: 3378.17, 0.00313622/step, 3.41238 hours remaining, 234.253906 MB of memory in use. ENERGY: 1083000 4039.9535 20563.3431 14463.4415 239.2576 -203216.0790 2850.0028 0.0000 0.0000 52157.6827 -108902.3978 299.7509 -161060.0805 -108542.2116 299.4077 48.1561 78.2733 763988.1993 2.2829 2.2746 PRESSURE: 1083200 38.599 -58.0748 -78.185 -58.0752 16.2641 46.1988 -78.1846 46.1978 -94.4032 GPRESSURE: 1083200 138.912 -103.548 -85.8434 -40.8325 0.0970641 33.6159 -53.2064 7.77587 -87.7912 PRESSAVG: 1083200 1.5063 26.781 -21.4976 26.781 -0.179514 -5.43176 -21.4976 -5.43184 5.15452 GPRESSAVG: 1083200 1.41631 27.9731 -20.334 25.992 -0.111535 -3.56417 -20.3695 -5.75091 5.38543 TIMING: 1083200 CPU: 3378.8, 0.00312714/step Wall: 3378.8, 0.00312714/step, 3.40233 hours remaining, 234.253906 MB of memory in use. ENERGY: 1083200 3941.1849 20428.4759 14401.1988 254.7056 -203173.4198 2829.0344 0.0000 0.0000 52460.1716 -108858.6486 301.4893 -161318.8202 -108498.7690 299.6411 -13.1800 17.0725 762319.6621 2.1604 2.2301 PRESSURE: 1083400 -57.324 -261.22 131.338 -261.219 248.047 -43.1052 131.338 -43.105 -85.6846 GPRESSURE: 1083400 77.0308 -112.829 120.795 -261.282 231.095 -133.711 84.8534 -51.4318 -125.328 PRESSAVG: 1083400 40.1945 -57.9094 -13.4973 -57.9093 -17.4281 -11.9678 -13.4973 -11.9678 24.9967 GPRESSAVG: 1083400 40.7289 -57.2465 -12.5862 -61.0777 -17.4605 -12.7497 -14.7855 -12.3485 24.1347 TIMING: 1083400 CPU: 3379.42, 0.00310387/step Wall: 3379.42, 0.00310387/step, 3.37684 hours remaining, 234.253906 MB of memory in use. ENERGY: 1083400 3948.6247 20612.1632 14402.8783 238.2008 -203060.8761 2757.6815 0.0000 0.0000 52249.3751 -108851.9524 300.2779 -161101.3275 -108478.3087 299.1328 35.0127 60.9324 763242.4524 15.9210 15.8010 PRESSURE: 1083600 -163.418 -217.865 -43.3654 -217.864 -275.738 -24.936 -43.3655 -24.9364 -54.6268 GPRESSURE: 1083600 -130.995 -200.263 -26.4341 -186.141 -243.169 13.4199 17.3124 3.2141 -36.9876 PRESSAVG: 1083600 -41.6866 -56.8128 -18.0083 -56.8128 39.7668 34.0474 -18.0082 34.0472 -13.5279 GPRESSAVG: 1083600 -42.9721 -58.2091 -17.2954 -53.6312 39.2525 34.1043 -17.5341 35.7097 -12.1599 TIMING: 1083600 CPU: 3380.04, 0.00310795/step Wall: 3380.04, 0.00310795/step, 3.3811 hours remaining, 234.253906 MB of memory in use. ENERGY: 1083600 4010.5182 20352.2726 14441.5343 258.1064 -202854.6250 2493.7726 0.0000 0.0000 52460.0132 -108838.4077 301.4884 -161298.4209 -108467.9203 299.7057 -164.5943 -137.0506 761784.7830 -5.1492 -5.2932 PRESSURE: 1083800 -201.845 -170.227 84.8192 -170.229 -183.13 155.687 84.8194 155.687 20.8565 GPRESSURE: 1083800 -137.989 -226.082 27.1611 -199.835 -150.712 154.858 155.606 139.777 27.7177 PRESSAVG: 1083800 -17.3137 6.82346 -16.0467 6.82356 2.31735 36.8127 -16.0466 36.8127 -2.82047 GPRESSAVG: 1083800 -16.8635 6.33173 -17.2286 7.06876 2.48459 38.4698 -16.5919 35.2747 -3.46864 TIMING: 1083800 CPU: 3380.67, 0.00313323/step Wall: 3380.67, 0.00313323/step, 3.40843 hours remaining, 234.253906 MB of memory in use. ENERGY: 1083800 3963.1450 20516.9074 14456.3328 241.7936 -202959.1831 2470.7010 0.0000 0.0000 52239.5147 -109070.7885 300.2212 -161310.3033 -108704.2951 299.3296 -121.3729 -86.9948 763196.4907 -5.9389 -5.9492 PRESSURE: 1084000 220.268 -289.285 -227.628 -289.284 -47.3581 -91.9979 -227.628 -91.9984 231.964 GPRESSURE: 1084000 355.899 -237.595 -221.442 -160.952 -48.4528 -45.9489 -298.571 -38.0345 175.398 PRESSAVG: 1084000 -53.0379 -27.7613 0.762867 -27.7612 -15.6521 36.9129 0.762799 36.9128 3.36555 GPRESSAVG: 1084000 -51.3145 -26.4316 2.13384 -27.5035 -17.3978 34.7059 -1.01139 37.4333 2.89267 TIMING: 1084000 CPU: 3381.3, 0.00313384/step Wall: 3381.3, 0.00313384/step, 3.40892 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1084000 3913.0872 20485.8664 14363.8544 244.3246 -203178.4444 2889.3316 0.0000 0.0000 52187.8873 -109094.0928 299.9245 -161281.9801 -108731.5671 299.1107 134.9578 160.9482 760435.9923 -21.7748 -21.9399 PRESSURE: 1084200 -130.436 -241.742 -2.016 -241.742 -219.633 -124.4 -2.01546 -124.401 291.438 GPRESSURE: 1084200 -28.89 -221.668 12.9804 -102.755 -241.598 -119.227 103.3 -92.1463 285.91 PRESSAVG: 1084200 36.6948 -37.6918 -36.9232 -37.6919 -15.9519 -26.8246 -36.9233 -26.8247 -6.72834 GPRESSAVG: 1084200 34.9259 -37.7771 -39.1224 -40.5185 -14.4035 -25.7767 -33.8023 -26.9101 -6.22093 TIMING: 1084200 CPU: 3381.92, 0.00314265/step Wall: 3381.92, 0.00314265/step, 3.41833 hours remaining, 234.253906 MB of memory in use. ENERGY: 1084200 3934.1271 20406.1063 14367.7632 247.9505 -202907.8797 2646.4373 0.0000 0.0000 52131.8609 -109173.6345 299.6025 -161305.4954 -108790.5046 299.4237 -19.5435 5.1405 762610.4951 4.6715 4.7672 LDB: ============= START OF LOAD BALANCING ============== 3394.4 LDB: ============== END OF LOAD BALANCING =============== 3394.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3394.4 LDB: ============= START OF LOAD BALANCING ============== 3394.72 LDB: Largest compute 6972 load 0.033608 is 17.2% of average load 0.195031 LDB: Average compute 0.004389 is 2.3% of average load 0.195031 LDB: TIME 3394.72 LOAD: AVG 0.195031 MAX 0.216146 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.023 MB LDB: TIME 3394.72 LOAD: AVG 0.195031 MAX 0.216146 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.094 MB LDB: TIME 3394.72 LOAD: AVG 0.195031 MAX 0.216146 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.094 MB LDB: ============== END OF LOAD BALANCING =============== 3394.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3394.73 PRESSURE: 1084400 -228.166 60.5117 -112.126 60.5109 57.7502 113.35 -112.126 113.351 -292.994 GPRESSURE: 1084400 -181.606 51.488 -114.243 17.0301 66.809 155.533 -94.9897 -7.79225 -274.965 PRESSAVG: 1084400 -30.2152 5.41333 -6.22934 5.41333 1.91391 21.9415 -6.22934 21.9415 14.4123 GPRESSAVG: 1084400 -30.8122 4.49867 -5.26439 8.25527 3.07356 19.5292 -6.55808 22.9196 13.612 TIMING: 1084400 CPU: 3382.56, 0.0031966/step Wall: 3382.56, 0.0031966/step, 3.47683 hours remaining, 234.371094 MB of memory in use. ENERGY: 1084400 4016.9945 20460.5443 14397.7133 240.3049 -203138.4701 2739.6098 0.0000 0.0000 51977.1091 -109306.1942 298.7132 -161283.3033 -108940.4731 299.3129 -154.4699 -129.9207 764078.7661 -4.6297 -4.7089 PRESSURE: 1084600 -89.5921 -161.564 15.5281 -161.564 357.622 -141.336 15.5279 -141.335 -71.6022 GPRESSURE: 1084600 -62.7387 -272.32 54.2825 -76.1898 342.104 -149.826 -14.1649 -168.906 11.3199 PRESSAVG: 1084600 -24.7206 -13.7491 10.3524 -13.7491 30.4218 7.38202 10.3524 7.38205 -11.2308 GPRESSAVG: 1084600 -23.7012 -15.4009 11.4324 -13.9279 29.3568 8.51887 9.2356 6.73943 -11.7153 TIMING: 1084600 CPU: 3383.19, 0.00314923/step Wall: 3383.19, 0.00314923/step, 3.42514 hours remaining, 234.371094 MB of memory in use. ENERGY: 1084600 3961.1286 20400.0675 14406.4528 250.6631 -203448.4291 2999.8140 0.0000 0.0000 52056.8508 -109373.4522 299.1714 -161430.3030 -109022.3488 299.0170 65.4758 96.8949 762797.6557 -1.8432 -2.0199 PRESSURE: 1084800 -203.745 -2.87036 84.8298 -2.87094 361.679 -16.6475 84.8293 -16.6485 -117.242 GPRESSURE: 1084800 -101.552 153.48 153.529 -53.2758 327.532 4.88355 100.244 10.0842 -77.6158 PRESSAVG: 1084800 -35.9462 37.7279 16.1864 37.7279 41.681 -13.6382 16.1865 -13.6383 -6.1364 GPRESSAVG: 1084800 -36.1873 38.3462 16.4757 36.4393 41.8205 -12.6273 17.26 -12.893 -5.92045 TIMING: 1084800 CPU: 3383.82, 0.0031318/step Wall: 3383.82, 0.0031318/step, 3.406 hours remaining, 234.566406 MB of memory in use. ENERGY: 1084800 3977.9874 20528.6587 14339.8707 249.5714 -203277.3029 2761.6109 0.0000 0.0000 52025.5938 -109394.0100 298.9918 -161419.6038 -109026.0003 298.5748 13.5641 49.4545 763002.2264 -0.1339 -0.0957 PRESSURE: 1085000 123.371 10.4375 127.976 10.4374 -255.037 173.552 127.976 173.552 50.7171 GPRESSURE: 1085000 152.575 -76.2522 190.213 15.693 -155.282 156.932 97.3963 100.744 25.2104 PRESSAVG: 1085000 22.004 30.4704 37.8725 30.4703 -11.6505 -54.456 37.8725 -54.4561 6.15911 GPRESSAVG: 1085000 21.1024 29.4023 34.9564 32.9212 -10.8745 -53.4495 36.3467 -58.1687 6.6698 TIMING: 1085000 CPU: 3384.45, 0.00315187/step Wall: 3384.45, 0.00315187/step, 3.42766 hours remaining, 234.566406 MB of memory in use. ENERGY: 1085000 3949.6072 20590.6347 14349.5158 266.5812 -203320.3083 2665.9803 0.0000 0.0000 52292.3028 -109205.6864 300.5246 -161497.9891 -108845.7958 298.6672 -26.9828 7.5011 762946.8419 5.5042 5.6326 PRESSURE: 1085200 -6.53985 -65.3043 76.9145 -65.3044 -159.861 27.2322 76.9152 27.2332 263.366 GPRESSURE: 1085200 -80.3223 -73.5395 7.23794 3.09143 1.22803 -9.99546 82.0413 -79.6833 269.275 PRESSAVG: 1085200 -36.878 -23.236 33.2737 -23.2361 16.1811 -18.5129 33.2738 -18.5129 0.0230468 GPRESSAVG: 1085200 -37.3696 -21.5193 34.805 -24.7075 16.2998 -19.668 33.7157 -16.8483 0.432813 TIMING: 1085200 CPU: 3385.08, 0.00315097/step Wall: 3385.08, 0.00315097/step, 3.4265 hours remaining, 234.566406 MB of memory in use. ENERGY: 1085200 4001.5639 20484.6263 14428.0749 230.8152 -203260.0213 2788.1876 0.0000 0.0000 51898.1494 -109428.6041 298.2594 -161326.7534 -109070.5016 299.0076 32.3215 63.3936 762852.4584 -6.8913 -6.8790 PRESSURE: 1085400 -226.807 171.164 52.0188 171.164 135.157 -83.3117 52.0183 -83.3123 86.2767 GPRESSURE: 1085400 -143.516 219.536 112.534 200.703 125.219 -110.115 -93.4965 -58.4507 87.5517 PRESSAVG: 1085400 -54.0225 -30.2938 -6.96115 -30.2938 26.7477 -39.4099 -6.96119 -39.4099 10.7348 GPRESSAVG: 1085400 -51.0016 -30.0014 -6.28503 -31.1032 25.6594 -37.9215 -6.90209 -40.7589 9.1319 TIMING: 1085400 CPU: 3385.71, 0.00313437/step Wall: 3385.71, 0.00313437/step, 3.40828 hours remaining, 234.566406 MB of memory in use. ENERGY: 1085400 4006.9661 20549.8576 14409.4910 249.9496 -202799.7042 2452.4472 0.0000 0.0000 51818.0500 -109312.9427 297.7990 -161130.9927 -108955.1414 298.5161 -1.7913 23.0848 762138.5125 -5.5133 -5.4034 PRESSURE: 1085600 56.7395 77.4301 113.06 77.4298 176.384 -148.436 113.06 -148.436 -379.984 GPRESSURE: 1085600 97.249 107.755 116.798 -16.5884 173.2 -251.678 27.9219 -112.89 -328.345 PRESSAVG: 1085600 3.38221 -32.0752 15.7501 -32.0751 2.20591 -9.6941 15.7501 -9.69409 5.22439 GPRESSAVG: 1085600 0.452252 -32.493 14.9605 -29.4663 3.14193 -11.1053 15.7028 -9.62359 6.54273 TIMING: 1085600 CPU: 3386.33, 0.00312867/step Wall: 3386.33, 0.00312867/step, 3.40191 hours remaining, 234.566406 MB of memory in use. ENERGY: 1085600 3974.8560 20405.8238 14435.9030 241.0246 -203517.0976 3026.5360 0.0000 0.0000 51885.5639 -109547.3903 298.1870 -161432.9542 -109186.3739 298.1871 -48.9535 -19.2988 761851.0999 3.6042 3.3790 PRESSURE: 1085800 -128.535 -414.508 176.422 -414.508 -368.985 -125.95 176.422 -125.951 -378.092 GPRESSURE: 1085800 -22.447 -340.964 110.896 -302.112 -372.914 -185.093 214.074 -86.5292 -371.548 PRESSAVG: 1085800 -43.6928 -40.442 2.46991 -40.442 58.5065 -27.3462 2.46975 -27.3462 -4.91961 GPRESSAVG: 1085800 -42.3277 -41.2755 3.39218 -43.6542 56.5937 -27.8852 3.51941 -25.9074 -4.64179 TIMING: 1085800 CPU: 3386.96, 0.00313058/step Wall: 3386.96, 0.00313058/step, 3.40381 hours remaining, 234.566406 MB of memory in use. ENERGY: 1085800 3988.6215 20576.7595 14476.3341 259.3690 -203648.6570 2917.7940 0.0000 0.0000 51972.5477 -109457.2313 298.6869 -161429.7789 -109093.4896 298.5589 -291.8705 -255.6362 761251.5246 3.2980 3.2081 PRESSURE: 1086000 347.61 -247.346 29.5681 -247.346 384.933 -47.5973 29.5677 -47.5963 48.879 GPRESSURE: 1086000 359.694 -126.409 19.5634 -159.488 378.7 -98.3241 -106.13 -67.5011 138.272 PRESSAVG: 1086000 48.842 -73.0601 -2.7032 -73.0601 9.00512 3.69692 -2.70315 3.69692 23.659 GPRESSAVG: 1086000 48.4695 -69.778 -3.17522 -71.9413 11.3897 4.30212 -4.98286 4.91003 22.2131 TIMING: 1086000 CPU: 3387.58, 0.00312718/step Wall: 3387.58, 0.00312718/step, 3.39994 hours remaining, 234.566406 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: 1086000 3977.4446 20615.7280 14472.0674 255.4681 -203394.9976 2821.7581 0.0000 0.0000 51774.3555 -109478.1758 297.5479 -161252.5313 -109128.3838 298.4608 260.4740 292.2223 760743.2259 27.1687 27.3575 PRESSURE: 1086200 -202.129 39.0421 31.3262 39.0422 -135.297 -122.02 31.3269 -122.021 -311.789 GPRESSURE: 1086200 -234.862 -113.516 -8.5434 25.482 -105.04 -120.512 57.7598 44.0317 -229.861 PRESSAVG: 1086200 -22.8069 -7.37502 4.06004 -7.37498 49.3927 -3.97076 4.06006 -3.97077 3.48305 GPRESSAVG: 1086200 -22.8532 -9.18593 4.12905 -5.37385 48.7703 -4.27267 5.47291 -4.40565 3.82086 TIMING: 1086200 CPU: 3388.21, 0.0031223/step Wall: 3388.21, 0.0031223/step, 3.39446 hours remaining, 234.566406 MB of memory in use. ENERGY: 1086200 4022.8362 20544.8786 14449.7681 238.5260 -202909.7191 2426.5935 0.0000 0.0000 51741.2074 -109485.9093 297.3574 -161227.1167 -109124.8146 298.5660 -216.4049 -189.9210 762758.0949 10.0229 9.9127 PRESSURE: 1086400 -144.918 -16.9941 -286.959 -16.9939 -33.1257 12.902 -286.959 12.9024 -174.885 GPRESSURE: 1086400 -136.211 -106.062 -314.995 -15.8221 49.8009 23.2319 -160.529 114.182 -177.124 PRESSAVG: 1086400 -44.5731 -19.3091 -65.361 -19.3091 48.296 4.13507 -65.361 4.13505 -2.15102 GPRESSAVG: 1086400 -44.587 -18.2586 -66.2595 -21.8205 48.5219 4.14371 -63.2413 4.70452 -1.69222 TIMING: 1086400 CPU: 3388.84, 0.00313149/step Wall: 3388.84, 0.00313149/step, 3.40428 hours remaining, 234.566406 MB of memory in use. ENERGY: 1086400 4022.9089 20344.4961 14417.0968 264.9196 -203391.7822 2635.0373 0.0000 0.0000 52232.3437 -109474.9798 300.1800 -161707.3235 -109106.9356 298.4882 -117.6429 -87.8448 763331.2631 0.5240 0.7476 PRESSURE: 1086600 -201.159 46.1621 -150.383 46.1613 -77.1342 117.849 -150.384 117.849 -215.009 GPRESSURE: 1086600 -143.94 135.615 -130.735 18.6472 -109.508 146.456 0.390871 55.2062 -157.883 PRESSAVG: 1086600 22.2861 -10.4629 38.3774 -10.4629 36.9664 -3.30885 38.3774 -3.30879 -6.51192 GPRESSAVG: 1086600 21.5861 -10.8633 39.0051 -8.6998 36.9967 -5.0098 35.9122 -3.79264 -6.46162 TIMING: 1086600 CPU: 3389.46, 0.00312366/step Wall: 3389.46, 0.00312366/step, 3.39559 hours remaining, 234.566406 MB of memory in use. ENERGY: 1086600 3969.0045 20465.5697 14374.5512 243.9546 -203283.6843 2738.9539 0.0000 0.0000 52080.5686 -109411.0817 299.3077 -161491.6503 -109042.1456 298.9749 -164.4341 -137.1106 764701.7900 17.5802 17.3737 PRESSURE: 1086800 -15.2661 -224.792 -112.928 -224.792 55.3188 99.1125 -112.928 99.114 -678.542 GPRESSURE: 1086800 16.2323 -140.331 -88.06 -222.378 6.33635 20.8292 22.5098 80.2577 -577.885 PRESSAVG: 1086800 -55.3212 49.8796 8.7463 49.8796 56.8747 -53.726 8.74629 -53.726 32.6067 GPRESSAVG: 1086800 -54.4515 51.1261 8.6263 49.0226 56.2823 -51.9066 9.78943 -55.136 32.1603 TIMING: 1086800 CPU: 3390.08, 0.00311188/step Wall: 3390.08, 0.00311188/step, 3.38262 hours remaining, 234.566406 MB of memory in use. ENERGY: 1086800 3985.5629 20588.4672 14407.9456 253.4964 -203644.4907 3077.8583 0.0000 0.0000 51890.1840 -109440.9762 298.2136 -161331.1602 -109079.6868 298.2849 -212.8298 -185.1056 764244.8446 11.3867 11.3304 PRESSURE: 1087000 180.529 -261.313 -208.903 -261.313 126.037 -51.7091 -208.902 -51.7087 -351.497 GPRESSURE: 1087000 197.506 -179.842 -261.839 -238.715 243.238 -133.497 -150.707 -112.305 -395.894 PRESSAVG: 1087000 -39.0009 11.3257 12.3061 11.3257 30.7032 -15.4152 12.3061 -15.4152 15.536 GPRESSAVG: 1087000 -38.3748 8.726 13.5118 11.0522 30.7372 -16.0746 11.2359 -13.8935 14.1008 TIMING: 1087000 CPU: 3390.71, 0.00311786/step Wall: 3390.71, 0.00311786/step, 3.38894 hours remaining, 234.566406 MB of memory in use. ENERGY: 1087000 3999.1788 20550.5322 14436.7609 243.2351 -203558.8584 2879.4883 0.0000 0.0000 51731.9600 -109717.7032 297.3043 -161449.6631 -109353.9655 298.1208 -14.9769 14.9498 761897.2493 2.4128 2.1544 PRESSURE: 1087200 88.8387 -144.012 13.6376 -144.012 321.33 -29.7048 13.6381 -29.7045 488.278 GPRESSURE: 1087200 103.67 -147.782 -43.6401 -223.472 388.184 -35.3887 42.555 -59.9579 503.819 PRESSAVG: 1087200 -15.2077 -14.404 40.1983 -14.404 -11.7557 -3.82618 40.1983 -3.82627 -11.5118 GPRESSAVG: 1087200 -14.7708 -13.999 39.0076 -13.9659 -12.5544 -2.222 39.2657 -3.79785 -11.1038 TIMING: 1087200 CPU: 3391.33, 0.00311889/step Wall: 3391.33, 0.00311889/step, 3.38988 hours remaining, 234.566406 MB of memory in use. ENERGY: 1087200 3948.5112 20481.3293 14481.6229 248.3890 -203572.9429 2731.5598 0.0000 0.0000 51982.9043 -109698.6265 298.7465 -161681.5307 -109334.9851 298.0064 299.4822 331.8911 760655.1396 -12.8250 -12.8097 PRESSURE: 1087400 343.475 -124.374 -43.2603 -124.373 166.288 70.5836 -43.2601 70.5835 129.292 GPRESSURE: 1087400 412.729 -181.203 -29.4911 -94.6616 135.564 -1.26948 49.6547 115.333 177.766 PRESSAVG: 1087400 0.658317 -2.30532 56.324 -2.30538 40.8936 7.56087 56.324 7.56078 4.97573 GPRESSAVG: 1087400 -0.119207 -2.40462 56.0973 -2.74464 40.6029 5.32067 58.9412 6.41159 5.65808 TIMING: 1087400 CPU: 3391.96, 0.00313525/step Wall: 3391.96, 0.00313525/step, 3.40749 hours remaining, 234.566406 MB of memory in use. ENERGY: 1087400 4050.7683 20392.1965 14443.1308 254.4547 -203626.2860 2864.9905 0.0000 0.0000 52122.3666 -109498.3785 299.5480 -161620.7452 -109139.5245 298.6660 213.0183 242.0196 761855.0962 15.5092 15.3806 PRESSURE: 1087600 33.9098 -84.4571 156.207 -84.457 -23.5602 30.1378 156.206 30.1368 -80.68 GPRESSURE: 1087600 86.839 -2.33302 125.585 -115.978 15.4148 80.9238 105.943 -5.23306 -73.3033 PRESSAVG: 1087600 3.97189 -65.8656 -6.73838 -65.8656 0.104443 -2.44114 -6.73834 -2.44116 24.745 GPRESSAVG: 1087600 3.45929 -66.353 -7.16535 -65.2745 1.88323 -0.233681 -7.27867 -3.04971 23.7509 TIMING: 1087600 CPU: 3392.58, 0.00313618/step Wall: 3392.58, 0.00313618/step, 3.40833 hours remaining, 234.566406 MB of memory in use. ENERGY: 1087600 4085.8938 20433.0735 14445.4816 240.0012 -203741.9673 2957.6025 0.0000 0.0000 52070.7956 -109509.1192 299.2516 -161579.9148 -109152.8389 298.7642 -23.4435 9.6501 761618.2848 9.6071 9.6978 PRESSURE: 1087800 -139.34 -136.614 -52.8803 -136.614 60.758 7.87253 -52.8806 7.87156 308.608 GPRESSURE: 1087800 -77.035 -218.139 -26.8717 23.3088 52.2116 41.4806 -91.2108 -150.047 328.661 PRESSAVG: 1087800 10.0445 -33.2069 -13.974 -33.2069 13.2918 -6.861 -13.974 -6.86099 -1.50872 GPRESSAVG: 1087800 10.8711 -32.5325 -14.4604 -33.1619 12.4712 -7.81915 -14.9069 -4.32019 -1.27215 TIMING: 1087800 CPU: 3393.21, 0.00312726/step Wall: 3393.21, 0.00312726/step, 3.39846 hours remaining, 234.566406 MB of memory in use. ENERGY: 1087800 3964.2447 20477.7180 14324.2816 236.3477 -203322.5334 2815.8510 0.0000 0.0000 52025.7260 -109478.3646 298.9926 -161504.0905 -109115.0096 299.0768 76.6756 101.2791 763896.3938 7.2758 7.3567 PRESSURE: 1088000 17.5611 -133.941 -14.1993 -133.941 -114.956 65.1883 -14.1993 65.1877 -71.338 GPRESSURE: 1088000 -8.07317 -172.447 5.17542 -213.471 -52.61 6.74896 -79.1959 64.3093 -10.1771 PRESSAVG: 1088000 -27.9084 -4.14321 9.35032 -4.14323 16.5663 -77.7923 9.35034 -77.7924 -9.39551 GPRESSAVG: 1088000 -28.804 -3.67568 11.8672 -5.72527 16.8568 -77.7543 11.0791 -79.9092 -8.48532 TIMING: 1088000 CPU: 3393.84, 0.00314319/step Wall: 3393.84, 0.00314319/step, 3.4156 hours remaining, 234.566406 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: 1088000 3984.0696 20456.2418 14462.7560 250.7284 -203060.4982 2554.6971 0.0000 0.0000 52146.7198 -109205.2854 299.6879 -161352.0052 -108834.1217 298.7510 -56.2443 -23.6201 763644.6970 -6.9125 -6.8108 PRESSURE: 1088200 63.1977 59.3384 146.2 59.3382 -32.5224 17.7804 146.201 17.7811 87.8263 GPRESSURE: 1088200 144.71 99.6525 79.418 -21.568 39.3861 88.7983 117.414 177.925 8.09659 PRESSAVG: 1088200 18.7455 -17.8471 0.264839 -17.8471 -27.1649 -31.7859 0.264868 -31.7858 -11.9033 GPRESSAVG: 1088200 18.2855 -18.4828 0.0445025 -16.9433 -26.9163 -33.0252 -0.881477 -31.0048 -11.7126 TIMING: 1088200 CPU: 3394.46, 0.0031326/step Wall: 3394.46, 0.0031326/step, 3.40392 hours remaining, 234.566406 MB of memory in use. ENERGY: 1088200 3921.8468 20682.2565 14412.6365 251.2657 -203115.9550 2568.3779 0.0000 0.0000 52245.8188 -109033.7529 300.2574 -161279.5717 -108673.0200 299.3807 39.5006 64.0641 763203.5156 -6.7742 -6.7811 LDB: ============= START OF LOAD BALANCING ============== 3406.95 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3406.95 LDB: =============== DONE WITH MIGRATION ================ 3406.95 LDB: ============= START OF LOAD BALANCING ============== 3407.27 LDB: Largest compute 6972 load 0.031864 is 16.3% of average load 0.195031 LDB: Average compute 0.004390 is 2.3% of average load 0.195031 LDB: TIME 3407.27 LOAD: AVG 0.195031 MAX 0.216011 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 237.129 MB LDB: TIME 3407.27 LOAD: AVG 0.195031 MAX 0.216011 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.168 MB LDB: TIME 3407.27 LOAD: AVG 0.195031 MAX 0.216011 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.168 MB LDB: ============== END OF LOAD BALANCING =============== 3407.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3407.28 PRESSURE: 1088400 16.5511 -159.219 -49.0902 -159.219 44.5062 -211.326 -49.0912 -211.326 -294.574 GPRESSURE: 1088400 37.936 -99.2681 -5.78 -112.875 54.4979 -141.677 -14.388 -167.841 -246.743 PRESSAVG: 1088400 40.0871 13.7145 -3.34524 13.7146 -13.2733 38.0958 -3.34521 38.0957 -4.94847 GPRESSAVG: 1088400 41.6173 12.4822 -5.28812 14.7851 -14.5606 39.793 -2.3998 36.8561 -5.47975 TIMING: 1088400 CPU: 3395.11, 0.00323491/step Wall: 3395.11, 0.00323491/step, 3.51491 hours remaining, 234.757812 MB of memory in use. ENERGY: 1088400 4050.6829 20482.6754 14482.7026 248.6621 -203340.1343 2740.5250 0.0000 0.0000 52091.1963 -109243.6900 299.3688 -161334.8864 -108878.4087 299.7683 -77.8389 -51.4363 763121.4852 7.2885 7.1923 PRESSURE: 1088600 -365.129 45.9135 175.496 45.9136 -225.499 -62.5199 175.496 -62.5208 -160.184 GPRESSURE: 1088600 -303.497 26.7104 176.563 24.2399 -160.526 -31.6714 117.775 34.3946 -201.536 PRESSAVG: 1088600 -26.7737 -12.3223 32.7104 -12.3223 1.34115 26.1393 32.7105 26.1393 8.01137 GPRESSAVG: 1088600 -26.7929 -10.6903 34.496 -12.2708 2.41718 25.9308 30.6531 29.6877 7.12668 TIMING: 1088600 CPU: 3395.74, 0.00314249/step Wall: 3395.74, 0.00314249/step, 3.41432 hours remaining, 234.960938 MB of memory in use. ENERGY: 1088600 4025.7567 20588.2342 14445.8745 254.1315 -203062.5179 2465.7804 0.0000 0.0000 51974.8450 -109307.8956 298.7001 -161282.7406 -108951.2675 298.9854 -250.2707 -221.8530 765180.2858 -5.8071 -5.7497 PRESSURE: 1088800 -416.342 -325.438 87.7652 -325.438 -66.9546 232.775 87.765 232.774 -164.459 GPRESSURE: 1088800 -329.055 -230.285 80.7683 -399.604 -101.849 201.405 211.159 261.747 -123.79 PRESSAVG: 1088800 -21.7694 21.2541 52.8251 21.2541 6.46348 -5.43785 52.8252 -5.43782 -14.4355 GPRESSAVG: 1088800 -22.5043 19.7673 52.24 20.5933 6.85176 -6.485 53.1721 -8.7544 -14.2095 TIMING: 1088800 CPU: 3396.37, 0.00314836/step Wall: 3396.37, 0.00314836/step, 3.42052 hours remaining, 234.960938 MB of memory in use. ENERGY: 1088800 3996.4351 20251.2933 14451.9114 241.6625 -203204.6339 2769.5345 0.0000 0.0000 52160.9959 -109332.8012 299.7700 -161493.7971 -108964.2397 298.7281 -215.9186 -184.8981 765636.5516 -9.9138 -9.9540 PRESSURE: 1089000 -4.23917 88.9682 -61.916 88.9678 -229.333 -175.76 -61.9159 -175.76 3.03722 GPRESSURE: 1089000 125.246 81.691 0.467724 137.973 -292.211 -164.867 -129.032 -191.808 17.3714 PRESSAVG: 1089000 -20.246 -20.8224 20.2587 -20.8224 22.9689 19.3378 20.2587 19.3378 33.2955 GPRESSAVG: 1089000 -20.0297 -20.3456 19.9645 -19.8684 22.9128 19.5755 22.3767 20.5098 32.607 TIMING: 1089000 CPU: 3397, 0.00313976/step Wall: 3397, 0.00313976/step, 3.411 hours remaining, 234.960938 MB of memory in use. ENERGY: 1089000 4024.7279 20538.2052 14443.9495 264.9062 -203010.7582 2489.9540 0.0000 0.0000 52066.2711 -109182.7442 299.2256 -161249.0153 -108824.5351 299.4068 -76.8449 -49.8647 763846.3333 12.0061 11.8300 PRESSURE: 1089200 -150.242 44.4858 391.58 44.487 -169.159 97.264 391.58 97.2647 -565.322 GPRESSURE: 1089200 -230.462 196.246 345.243 -55.2361 -120.586 72.6721 302.919 82.9652 -448.707 PRESSAVG: 1089200 11.8449 34.6534 -0.612949 34.6534 33.6132 -26.8934 -0.612915 -26.8934 23.8325 GPRESSAVG: 1089200 12.2282 34.2653 -0.441022 34.4801 31.8186 -26.7944 0.269473 -27.2623 25.4437 TIMING: 1089200 CPU: 3397.62, 0.00312852/step Wall: 3397.62, 0.00312852/step, 3.39861 hours remaining, 234.960938 MB of memory in use. ENERGY: 1089200 4047.0738 20567.0228 14429.2393 253.4149 -203089.2626 2542.0596 0.0000 0.0000 51899.8568 -109350.5953 298.2692 -161250.4521 -109000.1470 299.2054 -294.9078 -266.5848 763617.7122 23.0969 23.1635 PRESSURE: 1089400 -45.5128 -102.133 -147.427 -102.133 -85.0218 -133.408 -147.427 -133.408 -120.541 GPRESSURE: 1089400 9.17578 -82.1642 -50.3607 -166.506 -20.7854 -127.317 -138.487 -123.109 -167.738 PRESSAVG: 1089400 -14.4935 38.4618 25.0164 38.4617 11.6555 -15.5248 25.0165 -15.5248 -16.6536 GPRESSAVG: 1089400 -15.1494 39.9872 25.5385 38.2904 12.7386 -16.3211 25.0409 -16.2263 -17.0171 TIMING: 1089400 CPU: 3398.25, 0.00315148/step Wall: 3398.25, 0.00315149/step, 3.42339 hours remaining, 234.960938 MB of memory in use. ENERGY: 1089400 4054.7589 20614.4447 14440.4298 250.6999 -203049.3162 2645.6850 0.0000 0.0000 51878.9726 -109164.3254 298.1492 -161043.2981 -108807.2883 298.8075 -83.6918 -59.7825 763491.2727 -6.4972 -6.4760 PRESSURE: 1089600 -392.631 234.143 194.934 234.143 -237.966 60.1354 194.934 60.1349 -3.06927 GPRESSURE: 1089600 -230.26 196.695 285.579 130.75 -278.207 -21.4814 62.9075 55.3621 -32.8887 PRESSAVG: 1089600 -1.42681 -26.2879 -33.1726 -26.2879 -7.69766 9.41411 -33.1726 9.41415 10.187 GPRESSAVG: 1089600 -0.260272 -25.9935 -33.6437 -26.7306 -7.49935 9.47351 -35.3204 9.23057 9.51689 TIMING: 1089600 CPU: 3398.88, 0.00313286/step Wall: 3398.88, 0.00313286/step, 3.40298 hours remaining, 234.960938 MB of memory in use. ENERGY: 1089600 4091.7213 20497.5303 14475.4356 267.0419 -203260.5933 2673.1392 0.0000 0.0000 51990.4728 -109265.2522 298.7900 -161255.7250 -108893.9487 299.1319 -211.2221 -180.4521 762130.9885 0.3542 0.5858 PRESSURE: 1089800 191.411 -78.7827 231.75 -78.7819 -326.612 284.675 231.751 284.675 -145.596 GPRESSURE: 1089800 141.307 -205.667 242.698 -14.5905 -282.83 188.16 123.055 267.553 -47.3176 PRESSAVG: 1089800 20.1114 -22.4136 17.2934 -22.4136 -26.8478 -24.4134 17.2934 -24.4134 8.04905 GPRESSAVG: 1089800 18.4057 -24.4207 17.1695 -21.7995 -26.1207 -24.7135 17.6233 -22.1539 8.67011 TIMING: 1089800 CPU: 3399.5, 0.00312317/step Wall: 3399.5, 0.00312317/step, 3.39228 hours remaining, 234.960938 MB of memory in use. ENERGY: 1089800 4078.9836 20393.1518 14426.2743 235.1475 -202868.5938 2284.6226 0.0000 0.0000 52081.7087 -109368.7052 299.3143 -161450.4139 -109001.8804 299.3394 -93.5988 -62.9471 761995.3819 0.4375 0.3184 PRESSURE: 1090000 -261.795 -152.067 -159.546 -152.067 -566.094 31.7455 -159.547 31.7455 -599.853 GPRESSURE: 1090000 -214.373 -146.151 -254.014 -70.3279 -542.491 -56.2332 17.0378 -29.0559 -575.185 PRESSAVG: 1090000 25.2492 -42.9571 -38.6047 -42.9571 5.80039 -29.1096 -38.6047 -29.1097 17.0465 GPRESSAVG: 1090000 25.4346 -43.9581 -38.799 -40.5435 5.46408 -27.2248 -37.3888 -32.5874 16.8006 TIMING: 1090000 CPU: 3400.13, 0.00313969/step Wall: 3400.13, 0.00313969/step, 3.41005 hours remaining, 234.960938 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: 1090000 4086.8929 20432.3592 14405.5644 236.7390 -202920.1389 2791.1014 0.0000 0.0000 51877.2171 -109090.2648 298.1391 -160967.4820 -108730.8131 299.2234 -475.9138 -444.0165 764160.8057 16.0320 15.8998 PRESSURE: 1090200 86.1359 53.6349 -132.352 53.6342 83.2568 54.8603 -132.352 54.8619 -227.178 GPRESSURE: 1090200 247.69 160.699 -159.212 47.8532 -2.56732 -10.4865 -15.7264 225.761 -215.348 PRESSAVG: 1090200 -13.2992 -3.02737 -12.0466 -3.02729 10.7478 -7.34621 -12.0467 -7.34622 5.2356 GPRESSAVG: 1090200 -12.3124 -2.18956 -13.2083 -5.90754 10.7382 -6.50007 -11.3924 -3.67996 4.85905 TIMING: 1090200 CPU: 3400.76, 0.00314801/step Wall: 3400.76, 0.00314801/step, 3.41891 hours remaining, 234.960938 MB of memory in use. ENERGY: 1090200 3967.5539 20412.6705 14458.9774 256.2853 -203245.4165 3004.5924 0.0000 0.0000 52076.0062 -109069.3309 299.2815 -161145.3370 -108706.8341 299.2390 -19.2616 9.9251 762453.3899 0.8947 1.0950 PRESSURE: 1090400 -212.514 114.784 -66.1903 114.784 -144.16 9.8731 -66.1905 9.87352 18.2161 GPRESSURE: 1090400 -116.833 111.53 -85.0818 85.6207 -134.412 29.6382 -166.55 108.275 -1.82991 PRESSAVG: 1090400 13.3991 -16.1846 -56.4675 -16.1845 -66.6064 34.975 -56.4676 34.975 -0.87473 GPRESSAVG: 1090400 12.9451 -16.842 -54.949 -14.5809 -66.1419 33.1817 -58.1293 35.2566 -1.10848 TIMING: 1090400 CPU: 3401.39, 0.00312768/step Wall: 3401.39, 0.00312768/step, 3.39666 hours remaining, 234.960938 MB of memory in use. ENERGY: 1090400 3988.5514 20372.2922 14543.3155 240.7254 -202925.3859 2603.5748 0.0000 0.0000 52004.2521 -109172.6745 298.8692 -161176.9267 -108817.8515 298.7087 -112.8192 -84.3583 764160.1456 -18.0274 -18.1018 PRESSURE: 1090600 -119.577 -3.53003 -78.1334 -3.52988 -113.754 434.84 -78.1331 434.84 -531.126 GPRESSURE: 1090600 -17.4457 -4.0663 -44.4391 23.2295 -129.597 377.155 -16.4438 371.193 -532.075 PRESSAVG: 1090600 25.3183 -21.1669 -20.8195 -21.167 -95.6534 -3.08829 -20.8195 -3.08818 0.52212 GPRESSAVG: 1090600 26.2753 -21.8183 -20.7139 -21.1306 -96.3166 -2.26162 -22.4808 -4.91629 0.39796 TIMING: 1090600 CPU: 3402.02, 0.0031423/step Wall: 3402.02, 0.0031423/step, 3.41236 hours remaining, 234.960938 MB of memory in use. ENERGY: 1090600 3996.7317 20358.0952 14479.2120 254.4713 -202717.7007 2409.6009 0.0000 0.0000 51952.1952 -109267.3944 298.5700 -161219.5896 -108912.9883 299.0383 -254.8192 -226.3728 764959.6185 -23.2710 -23.2144 PRESSURE: 1090800 -148.592 98.5993 103.929 98.5999 -97.0747 44.2802 103.929 44.2817 -183.929 GPRESSURE: 1090800 -83.9888 198.784 86.3725 129.603 -147.72 93.617 -3.64041 -11.84 -118.482 PRESSAVG: 1090800 -5.39088 -11.7025 -51.9275 -11.7024 -13.8111 9.19059 -51.9275 9.19056 1.77616 GPRESSAVG: 1090800 -5.19256 -10.4649 -50.3776 -13.7874 -14.3148 8.701 -50.692 7.09611 2.12409 TIMING: 1090800 CPU: 3402.64, 0.00312698/step Wall: 3402.64, 0.00312698/step, 3.39555 hours remaining, 234.960938 MB of memory in use. ENERGY: 1090800 3992.4266 20398.0983 14417.1930 231.7505 -202810.9039 2827.2871 0.0000 0.0000 51766.0896 -109178.0589 297.5004 -160944.1485 -108823.3175 298.8831 -143.1984 -116.7306 763779.8755 -5.8086 -5.7944 PRESSURE: 1091000 447.266 -45.6185 -129.901 -45.618 80.2921 -5.72148 -129.902 -5.72144 -15.6778 GPRESSURE: 1091000 417.822 -35.3346 -104.222 -67.6365 160.309 25.2554 -94.0602 -63.8329 17.2324 PRESSAVG: 1091000 3.71885 -10.8119 -40.3697 -10.8119 14.2045 16.2353 -40.3697 16.2353 -22.7227 GPRESSAVG: 1091000 2.61549 -10.3538 -42.5476 -9.07816 14.714 17.5419 -40.1413 16.973 -22.1923 TIMING: 1091000 CPU: 3403.27, 0.003122/step Wall: 3403.27, 0.003122/step, 3.38997 hours remaining, 234.960938 MB of memory in use. ENERGY: 1091000 3915.7135 20446.0152 14495.1642 243.3012 -203126.5106 2783.7412 0.0000 0.0000 51901.6685 -109340.9069 298.2796 -161242.5753 -108974.9784 298.4401 170.6268 198.4544 764238.6133 -1.5998 -1.6209 PRESSURE: 1091200 -242.319 -48.3737 5.55434 -48.374 -292.435 211.056 5.55368 211.056 276.612 GPRESSURE: 1091200 -235.799 2.01735 52.6313 -74.8611 -184.651 254.133 -52.3993 127.228 258.342 PRESSAVG: 1091200 1.39419 -1.56532 -36.1602 -1.56533 -36.9126 -21.0561 -36.1601 -21.0562 9.14812 GPRESSAVG: 1091200 1.50377 -0.194356 -35.23 -2.20863 -36.7857 -23.1111 -34.9103 -18.3376 8.96956 TIMING: 1091200 CPU: 3403.89, 0.00312453/step Wall: 3403.89, 0.00312453/step, 3.39255 hours remaining, 234.960938 MB of memory in use. ENERGY: 1091200 3934.8272 20376.9408 14489.3910 230.0765 -203028.6842 2593.8967 0.0000 0.0000 52054.5978 -109348.9542 299.1585 -161403.5520 -108988.1268 298.7266 -86.0474 -54.0361 763795.6157 -8.7901 -8.7708 PRESSURE: 1091400 -54.811 47.7382 125.628 47.7379 -63.4168 -172.561 125.628 -172.56 -251.062 GPRESSURE: 1091400 -119.938 41.5786 42.8382 -21.236 -38.1166 -114.629 144.056 -209.908 -122.635 PRESSAVG: 1091400 -84.7898 -23.4604 -34.4213 -23.4603 30.6152 -14.7989 -34.4214 -14.799 -9.15319 GPRESSAVG: 1091400 -86.4914 -26.6205 -33.9156 -23.06 31.0175 -14.3105 -37.3676 -17.6333 -8.04236 TIMING: 1091400 CPU: 3404.52, 0.00315941/step Wall: 3404.52, 0.00315941/step, 3.43024 hours remaining, 234.960938 MB of memory in use. ENERGY: 1091400 3948.1495 20489.1122 14443.6834 257.1493 -202739.1929 2496.5551 0.0000 0.0000 51885.3503 -109219.1931 298.1858 -161104.5433 -108862.5846 299.0071 -123.0967 -93.5629 764380.5039 -21.1093 -21.1721 PRESSURE: 1091600 -123.589 -162.844 141.851 -162.844 483.9 -126.088 141.851 -126.088 -306.945 GPRESSURE: 1091600 25.594 -67.4774 114.951 -239.597 434.859 -140.924 146.231 -181.975 -337.919 PRESSAVG: 1091600 46.4086 -42.908 -32.4565 -42.9081 -2.47556 -3.82604 -32.4565 -3.82606 -20.1882 GPRESSAVG: 1091600 48.184 -40.2712 -33.3006 -42.671 -2.50829 -5.24365 -31.6281 -4.01928 -21.8054 TIMING: 1091600 CPU: 3405.15, 0.00314163/step Wall: 3405.15, 0.00314163/step, 3.41076 hours remaining, 234.960938 MB of memory in use. ENERGY: 1091600 3947.1245 20204.0374 14465.4364 240.6715 -203092.5301 2874.4393 0.0000 0.0000 52235.4013 -109125.4199 300.1976 -161360.8211 -108753.8627 299.0385 17.7888 40.8447 762668.5393 7.9149 7.9568 PRESSURE: 1091800 112.762 -82.1467 -128.468 -82.1465 -302.14 -93.4816 -128.469 -93.4814 -265.001 GPRESSURE: 1091800 71.3986 -113.169 -109.611 -111.232 -226.943 -74.3409 -52.434 -161.058 -239.084 PRESSAVG: 1091800 1.13757 -11.6978 28.7711 -11.6978 3.29066 -14.3127 28.7711 -14.3126 -18.4395 GPRESSAVG: 1091800 0.760498 -13.3336 29.5065 -12.2619 2.22448 -11.6989 28.5606 -13.4119 -17.1108 TIMING: 1091800 CPU: 3405.78, 0.00312146/step Wall: 3405.78, 0.00312146/step, 3.3887 hours remaining, 234.960938 MB of memory in use. ENERGY: 1091800 3939.9180 20562.4375 14494.6728 240.1711 -202785.8031 2619.8629 0.0000 0.0000 52099.4073 -108829.3334 299.4160 -160928.7407 -108475.2242 299.9327 -151.4594 -131.5429 762964.0059 -4.6704 -4.7086 PRESSURE: 1092000 0.46178 -141.355 -17.4569 -141.356 148.535 -69.6976 -17.4562 -69.6974 146.895 GPRESSURE: 1092000 130.338 -150.23 -15.5539 -22.0228 92.8329 -42.7307 112.234 60.5517 148.999 PRESSAVG: 1092000 40.6156 -100.021 23.9993 -100.021 -49.879 10.8126 23.9992 10.8126 -7.46711 GPRESSAVG: 1092000 40.7709 -98.5974 23.0055 -100.193 -49.7602 10.7004 25.6332 10.5231 -8.11703 TIMING: 1092000 CPU: 3406.4, 0.00310997/step Wall: 3406.4, 0.00310997/step, 3.37605 hours remaining, 234.960938 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: 1092000 3888.6459 20658.6199 14470.5049 247.6643 -203419.4017 3026.7359 0.0000 0.0000 52117.8188 -109009.4121 299.5218 -161127.2308 -108647.4891 299.6752 98.6306 124.0565 762638.1417 -5.5769 -5.7021 PRESSURE: 1092200 -87.4364 -39.4463 -23.8143 -39.446 7.82661 -115.896 -23.8142 -115.896 -132.852 GPRESSURE: 1092200 -107.634 -21.449 -108.594 -48.5178 29.8887 -178.264 144.046 -11.7759 -47.6924 PRESSAVG: 1092200 16.7744 -38.8162 -3.52702 -38.8162 11.1274 -16.0425 -3.52697 -16.0425 -27.397 GPRESSAVG: 1092200 16.1957 -40.1291 -3.43909 -37.7494 12.1947 -16.6873 -2.01957 -16.142 -27.3242 TIMING: 1092200 CPU: 3407.02, 0.00310711/step Wall: 3407.02, 0.00310711/step, 3.37277 hours remaining, 234.960938 MB of memory in use. ENERGY: 1092200 4006.5849 20378.6786 14437.9019 258.6798 -202789.3538 2664.6802 0.0000 0.0000 51932.1003 -109110.7282 298.4545 -161042.8285 -108755.9514 299.5079 -70.8205 -41.8125 763987.0049 0.1682 0.3554 LDB: ============= START OF LOAD BALANCING ============== 3419.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3419.5 LDB: =============== DONE WITH MIGRATION ================ 3419.5 LDB: ============= START OF LOAD BALANCING ============== 3419.81 LDB: Largest compute 6972 load 0.030960 is 15.9% of average load 0.194954 LDB: Average compute 0.004399 is 2.3% of average load 0.194954 LDB: TIME 3419.81 LOAD: AVG 0.194954 MAX 0.214568 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.789 MB LDB: TIME 3419.81 LOAD: AVG 0.194954 MAX 0.214568 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.789 MB LDB: TIME 3419.81 LOAD: AVG 0.194954 MAX 0.214568 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.789 MB LDB: ============== END OF LOAD BALANCING =============== 3419.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3419.82 PRESSURE: 1092400 -360.534 54.3412 -28.4031 54.3412 -168.68 161.436 -28.4028 161.435 378.245 GPRESSURE: 1092400 -295.579 67.6137 100.473 38.472 -117.888 238.595 3.73848 145 356.367 PRESSAVG: 1092400 -58.2143 -4.53909 -50.8291 -4.53911 28.772 -13.5148 -50.8291 -13.5147 3.17005 GPRESSAVG: 1092400 -57.4547 -3.34598 -48.9184 -7.37728 27.6901 -13.6019 -51.894 -13.4463 3.29308 TIMING: 1092400 CPU: 3407.65, 0.00317781/step Wall: 3407.65, 0.00317781/step, 3.44934 hours remaining, 235.015625 MB of memory in use. ENERGY: 1092400 3942.5028 20408.4490 14490.8093 240.7041 -203393.3856 2918.0755 0.0000 0.0000 52150.4695 -109242.3754 299.7095 -161392.8449 -108886.1549 299.0549 -50.3229 -19.0335 764235.4149 -8.7574 -8.8239 PRESSURE: 1092600 5.4013 38.9511 30.8854 38.9511 58.1528 -194.391 30.8848 -194.39 -138.531 GPRESSURE: 1092600 15.8402 81.2409 -24.9293 -26.7582 108.694 -235.027 15.5548 -261.223 -81.5625 PRESSAVG: 1092600 -69.8804 -44.5975 -3.99239 -44.5974 24.5085 -26.2156 -3.99238 -26.2156 7.53382 GPRESSAVG: 1092600 -69.9785 -45.4018 -6.35152 -41.4196 24.5694 -26.6187 -3.09608 -28.1083 7.51889 TIMING: 1092600 CPU: 3408.28, 0.0031157/step Wall: 3408.28, 0.0031157/step, 3.38174 hours remaining, 235.015625 MB of memory in use. ENERGY: 1092600 4034.2969 20545.1276 14415.2671 260.6074 -203366.9428 2705.5868 0.0000 0.0000 52203.1670 -109202.8899 300.0123 -161406.0569 -108845.6546 299.7461 -24.9923 14.3239 762402.8799 -12.6127 -12.6301 PRESSURE: 1092800 -71.3956 -31.9609 215.002 -31.9614 -177.259 183.397 215.001 183.397 45.5558 GPRESSURE: 1092800 -11.42 1.34663 144.126 -76.8944 -172.691 171.792 325.972 178.959 62.4306 PRESSAVG: 1092800 -7.41397 -104.418 10.1113 -104.418 12.3598 -38.8984 10.1114 -38.8984 7.94143 GPRESSAVG: 1092800 -6.81138 -104.458 12.6376 -107.021 12.4866 -38.7947 8.68896 -37.8161 7.13805 TIMING: 1092800 CPU: 3408.9, 0.0031214/step Wall: 3408.9, 0.0031214/step, 3.38776 hours remaining, 235.015625 MB of memory in use. ENERGY: 1092800 4024.2310 20475.6570 14441.3899 270.3736 -203592.0672 2936.4239 0.0000 0.0000 52321.3540 -109122.6377 300.6915 -161443.9918 -108749.6788 299.6556 -67.6995 -40.5602 762534.7774 4.2958 4.2711 PRESSURE: 1093000 -231.083 -201.249 -216.929 -201.249 186.825 -177.436 -216.929 -177.437 -23.6708 GPRESSURE: 1093000 -170.035 -108.598 -265.427 -166.816 127.94 -173.424 -63.4131 -137.867 58.032 PRESSAVG: 1093000 18.9549 10.1797 -37.1988 10.1797 -62.1331 -24.1532 -37.1988 -24.1533 -22.8145 GPRESSAVG: 1093000 17.3012 11.2543 -38.7497 11.7835 -61.6069 -25.1415 -35.6336 -22.2692 -21.5754 TIMING: 1093000 CPU: 3409.53, 0.00312019/step Wall: 3409.53, 0.00312019/step, 3.38627 hours remaining, 235.015625 MB of memory in use. ENERGY: 1093000 4035.1658 20598.8250 14402.6114 253.5134 -202803.6013 2565.3319 0.0000 0.0000 51550.3985 -109397.7553 296.2608 -160948.1538 -109043.9542 298.8242 -22.6432 5.3122 762872.6090 -21.9976 -21.9604 PRESSURE: 1093200 -94.0352 162.46 43.8254 162.461 10.8446 58.8193 43.8257 58.8177 554.892 GPRESSURE: 1093200 -94.4232 225.374 26.1842 142.792 169.058 -11.3896 -22.8831 -44.4837 476.043 PRESSAVG: 1093200 11.0512 14.8729 -14.7902 14.873 -19.7 -35.8163 -14.7902 -35.8163 -7.87889 GPRESSAVG: 1093200 12.5629 15.0145 -13.908 14.8674 -20.928 -35.6565 -15.5626 -36.2204 -8.57521 TIMING: 1093200 CPU: 3410.15, 0.00311713/step Wall: 3410.15, 0.00311713/step, 3.38278 hours remaining, 235.015625 MB of memory in use. ENERGY: 1093200 4010.3561 20491.3938 14481.7397 250.6050 -203460.0706 2910.5128 0.0000 0.0000 51634.5008 -109680.9622 296.7442 -161315.4631 -109321.8990 297.9519 157.2339 183.5590 761870.9501 -5.5092 -5.6468 PRESSURE: 1093400 -630.293 95.93 152.065 95.9295 189.627 -19.1319 152.065 -19.1333 123.516 GPRESSURE: 1093400 -498.403 36.4206 170.078 76.6788 126.798 27.6189 171.071 -51.374 157.176 PRESSAVG: 1093400 37.4898 6.17452 23.1232 6.1745 -34.4381 -65.0382 23.1233 -65.0381 11.9089 GPRESSAVG: 1093400 36.5858 5.17862 23.0058 6.63979 -33.537 -64.8342 21.9197 -67.504 11.2235 TIMING: 1093400 CPU: 3410.78, 0.00312782/step Wall: 3410.78, 0.00312782/step, 3.3942 hours remaining, 235.015625 MB of memory in use. ENERGY: 1093400 3913.1802 20503.8834 14472.0294 253.0219 -203446.6928 2906.2743 0.0000 0.0000 51744.3403 -109653.9633 297.3754 -161398.3036 -109290.3826 297.6924 -105.7166 -71.4765 762715.5785 4.9869 4.7574 PRESSURE: 1093600 -499.106 -123.711 196.792 -123.711 149.394 -30.0454 196.791 -30.0472 355.361 GPRESSURE: 1093600 -366.403 -203.164 209.995 -190.029 142.896 -79.591 258.756 -66.0662 311.041 PRESSAVG: 1093600 4.1442 26.5708 -12.5433 26.5708 -59.016 -11.3124 -12.5433 -11.3125 -0.635119 GPRESSAVG: 1093600 4.52946 26.0433 -11.2254 26.252 -59.9189 -10.995 -10.7826 -8.8331 0.140976 TIMING: 1093600 CPU: 3411.4, 0.00310314/step Wall: 3411.4, 0.00310314/step, 3.36726 hours remaining, 235.070312 MB of memory in use. ENERGY: 1093600 4056.9114 20396.6078 14462.0144 247.2151 -203419.1013 2895.0567 0.0000 0.0000 51863.0878 -109498.2080 298.0579 -161361.2959 -109131.1262 297.8867 1.8828 29.1779 762899.8382 -18.5023 -18.4162 PRESSURE: 1093800 162.32 -28.0549 -50.0583 -28.0547 452.015 -110.233 -50.0578 -110.233 -340.389 GPRESSURE: 1093800 93.4209 -0.746789 -20.6904 -100.122 554.938 -100.778 -157.662 -43.9187 -282.415 PRESSAVG: 1093800 -17.6978 -84.594 -57.9428 -84.594 -21.8723 -25.5115 -57.9428 -25.5115 14.9341 GPRESSAVG: 1093800 -18.9059 -85.1138 -58.7615 -84.5034 -20.9162 -25.4966 -60.5412 -25.8779 14.8129 TIMING: 1093800 CPU: 3412.02, 0.00310524/step Wall: 3412.02, 0.00310524/step, 3.36936 hours remaining, 235.070312 MB of memory in use. ENERGY: 1093800 3940.9577 20658.2346 14463.8299 245.4690 -203515.9384 2772.3068 0.0000 0.0000 51907.2837 -109527.8566 298.3119 -161435.1403 -109168.6278 298.6117 91.3153 121.9814 761446.4152 -8.2120 -8.3364 PRESSURE: 1094000 -163.148 -4.33996 -104.139 -4.33989 120.979 136.586 -104.14 136.586 373.327 GPRESSURE: 1094000 -70.3423 -22.6922 -77.1236 35.1505 171.404 189.337 -41.0973 184.508 311.584 PRESSAVG: 1094000 5.08072 -22.3108 5.77501 -22.3109 6.343 -14.9576 5.77496 -14.9576 10.7232 GPRESSAVG: 1094000 5.21751 -20.5445 5.81793 -20.8297 5.94196 -15.0172 6.32527 -13.893 11.1842 TIMING: 1094000 CPU: 3412.64, 0.00312281/step Wall: 3412.64, 0.00312281/step, 3.38825 hours remaining, 235.070312 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: 1094000 3902.2419 20468.9067 14470.5812 226.7564 -203441.8158 2562.1643 0.0000 0.0000 52100.7045 -109710.4608 299.4235 -161811.1653 -109350.7484 298.6626 110.3860 137.5487 761891.4742 7.3823 7.4479 PRESSURE: 1094200 -122.183 -202.611 -62.6693 -202.61 -136.357 61.0423 -62.6691 61.0413 101.682 GPRESSURE: 1094200 -124.021 -264.968 59.3514 -100.841 -37.6032 29.2573 -74.9374 24.1937 80.1312 PRESSAVG: 1094200 -24.0758 18.6827 -39.2635 18.6826 28.3621 -2.08066 -39.2635 -2.08067 10.7772 GPRESSAVG: 1094200 -22.6923 17.1252 -39.8684 20.1887 27.9226 -1.12828 -39.1976 -4.98272 10.2908 TIMING: 1094200 CPU: 3413.26, 0.00311005/step Wall: 3413.26, 0.00311005/step, 3.37424 hours remaining, 235.070312 MB of memory in use. ENERGY: 1094200 4071.9603 20514.2707 14471.3519 242.4986 -203330.3062 2733.3734 0.0000 0.0000 51969.4743 -109327.3769 298.6693 -161296.8512 -108962.5239 298.5813 -52.2858 -27.1642 761634.9912 5.0212 5.1737 PRESSURE: 1094400 115.247 -367.878 12.6224 -367.877 -230.684 22.7173 12.6226 22.7168 129.25 GPRESSURE: 1094400 124.839 -258.828 95.924 -376.01 -163.097 39.1472 -17.5926 125.726 152.169 PRESSAVG: 1094400 -51.3242 -7.25226 -43.8268 -7.25222 66.7337 -39.4004 -43.8267 -39.4004 4.8209 GPRESSAVG: 1094400 -52.009 -6.54423 -43.3881 -10.5469 66.0628 -40.7824 -40.9243 -37.1482 6.32471 TIMING: 1094400 CPU: 3413.89, 0.00311818/step Wall: 3413.89, 0.00311818/step, 3.38288 hours remaining, 235.070312 MB of memory in use. ENERGY: 1094400 3960.3866 20601.8974 14466.0565 247.1279 -203426.1106 2957.5456 0.0000 0.0000 51994.0683 -109199.0284 298.8106 -161193.0967 -108840.6254 298.7170 4.6043 37.9707 763035.9342 6.7435 6.7928 PRESSURE: 1094600 -206.34 54.3259 188.919 54.326 -119.662 107.238 188.919 107.238 26.3279 GPRESSURE: 1094600 -211.804 35.8783 104.885 36.436 -37.7813 28.6318 99.6246 -6.45286 52.9951 PRESSAVG: 1094600 0.934092 6.19127 -1.79067 6.19136 16.4432 -5.96541 -1.79063 -5.96536 -19.583 GPRESSAVG: 1094600 1.28103 4.73143 -0.791014 7.47402 17.7046 -5.47648 -4.83856 -6.94469 -21.2267 TIMING: 1094600 CPU: 3414.51, 0.00311748/step Wall: 3414.51, 0.00311748/step, 3.38194 hours remaining, 235.070312 MB of memory in use. ENERGY: 1094600 4025.1784 20510.0867 14427.9745 237.1179 -203026.8934 2548.4257 0.0000 0.0000 52024.4135 -109253.6966 298.9850 -161278.1101 -108886.2156 298.6659 -99.8915 -65.5300 763877.1764 -0.7352 -0.7470 PRESSURE: 1094800 -190.913 -80.898 -33.625 -80.8983 -279.276 -150.111 -33.6243 -150.112 100.628 GPRESSURE: 1094800 -211.443 -40.8468 -47.5058 34.71 -197.041 -147.394 43.1706 -52.1203 147.356 PRESSAVG: 1094800 -18.9194 -23.2167 35.7516 -23.2167 20.1932 -50.2735 35.7516 -50.2734 4.28614 GPRESSAVG: 1094800 -18.7946 -21.8398 35.742 -25.3402 19.225 -49.5869 35.7842 -51.4115 5.33701 TIMING: 1094800 CPU: 3415.14, 0.00312275/step Wall: 3415.14, 0.00312275/step, 3.38749 hours remaining, 235.070312 MB of memory in use. ENERGY: 1094800 3984.3000 20619.8023 14410.5045 247.1667 -203222.0576 2665.0004 0.0000 0.0000 52078.2266 -109217.0570 299.2943 -161295.2837 -108863.5563 298.6470 -123.1872 -87.0426 764782.6854 1.8533 1.9225 PRESSURE: 1095000 83.5578 44.947 -66.2458 44.9465 -228.171 97.2148 -66.2457 97.2147 -152.346 GPRESSURE: 1095000 141.141 61.6506 -163.356 -6.35413 -223.542 142.478 -44.3889 11.2521 -153.368 PRESSAVG: 1095000 26.1096 -64.2621 11.8513 -64.2622 -23.2081 19.0722 11.8513 19.0723 0.335579 GPRESSAVG: 1095000 26.2629 -63.6041 9.0952 -62.1122 -22.5679 19.3416 12.5355 19.7001 -0.286182 TIMING: 1095000 CPU: 3415.76, 0.00312508/step Wall: 3415.76, 0.00312508/step, 3.38984 hours remaining, 235.070312 MB of memory in use. ENERGY: 1095000 4029.9641 20599.6354 14433.4842 250.4423 -203341.4008 2667.3456 0.0000 0.0000 52090.2334 -109270.2958 299.3633 -161360.5292 -108902.2917 299.3862 -98.9866 -78.5895 763236.4441 1.0790 1.1363 PRESSURE: 1095200 -308.046 120.597 19.5859 120.597 -229.745 -152 19.5863 -152.001 -67.892 GPRESSURE: 1095200 -256.33 55.1983 78.3213 120.833 -162.141 -204.065 -45.1581 -199.85 -105.319 PRESSAVG: 1095200 -22.0853 -36.7736 4.90958 -36.7736 37.8522 12.3717 4.90962 12.3717 -10.3055 GPRESSAVG: 1095200 -23.2126 -37.0255 6.30154 -38.9222 37.5344 9.87858 4.48485 12.5281 -9.11743 TIMING: 1095200 CPU: 3416.39, 0.00313486/step Wall: 3416.39, 0.00313486/step, 3.40028 hours remaining, 235.070312 MB of memory in use. ENERGY: 1095200 3989.6125 20541.7214 14497.2305 245.6979 -203418.3672 2697.1372 0.0000 0.0000 52327.7577 -109119.2099 300.7283 -161446.9677 -108758.1589 299.2664 -201.8941 -174.5964 762387.7536 1.8205 1.7348 PRESSURE: 1095400 111.828 -136.626 -71.0204 -136.626 -170.882 58.2776 -71.0187 58.2794 195.406 GPRESSURE: 1095400 111.966 -217.421 -114.223 -95.0549 -67.9862 102.543 37.7283 174.543 181.616 PRESSAVG: 1095400 40.8041 14.9929 2.54258 14.9929 -35.3585 10.8781 2.54255 10.8781 -5.17101 GPRESSAVG: 1095400 40.8713 14.3215 2.86129 17.8944 -34.6997 12.4553 3.26292 10.5254 -5.73252 TIMING: 1095400 CPU: 3417.01, 0.00312105/step Wall: 3417.01, 0.00312105/step, 3.38513 hours remaining, 235.070312 MB of memory in use. ENERGY: 1095400 4042.3747 20335.0588 14497.1830 254.0554 -203109.3118 2637.2412 0.0000 0.0000 51803.9786 -109539.4201 297.7182 -161343.3987 -109163.8084 298.7829 45.4508 75.1985 761117.2201 0.0915 0.1464 PRESSURE: 1095600 -98.0171 -234.305 -82.5125 -234.305 -449.308 69.2785 -82.512 69.2785 -199.138 GPRESSURE: 1095600 -102.066 -240.227 -84.6185 -64.6344 -362.394 42.2035 -86.3273 112.634 -204.659 PRESSAVG: 1095600 5.04756 -26.1238 -0.778553 -26.1238 -9.26355 7.12762 -0.778516 7.12757 -11.5076 GPRESSAVG: 1095600 5.06901 -26.8898 -0.341125 -25.3384 -8.49818 6.99863 -1.07182 9.44307 -11.7237 TIMING: 1095600 CPU: 3417.64, 0.0031283/step Wall: 3417.64, 0.0031283/step, 3.39282 hours remaining, 235.070312 MB of memory in use. ENERGY: 1095600 4010.4169 20530.1071 14492.5344 247.1352 -203398.6236 2701.5691 0.0000 0.0000 51875.7067 -109541.1542 298.1304 -161416.8609 -109178.2235 298.1100 -248.8212 -223.0398 763722.2630 -5.2412 -5.0510 PRESSURE: 1095800 -62.6865 224.233 88.4335 224.233 -263.118 -257.445 88.4332 -257.444 -548.088 GPRESSURE: 1095800 -125.209 286.141 28.5154 271.939 -166.43 -156.671 120.896 -145.075 -495.717 PRESSAVG: 1095800 13.7563 24.3324 10.7671 24.3324 -1.0739 0.146666 10.7671 0.146691 1.92202 GPRESSAVG: 1095800 13.3309 24.3179 10.2462 23.972 -1.05406 0.744516 12.0713 -0.0630997 2.52879 TIMING: 1095800 CPU: 3418.26, 0.00312231/step Wall: 3418.26, 0.00312231/step, 3.38615 hours remaining, 235.070312 MB of memory in use. ENERGY: 1095800 4026.2010 20556.4335 14479.9588 243.9212 -203005.5423 2426.7357 0.0000 0.0000 51800.2822 -109472.0099 297.6969 -161272.2920 -109109.0959 298.7487 -291.2974 -262.4521 763278.6201 4.8681 4.9352 PRESSURE: 1096000 258.943 -71.9433 198.422 -71.9431 -136.535 -177.682 198.422 -177.682 146.043 GPRESSURE: 1096000 351.452 -104.134 185.333 -25.5203 -212.008 -97.9494 154.961 -212.062 198.482 PRESSAVG: 1096000 68.6167 -43.8648 -17.738 -43.8648 -0.564832 -18.0923 -17.738 -18.0923 -16.974 GPRESSAVG: 1096000 70.2084 -42.55 -17.1872 -45.1982 -2.05242 -18.8051 -18.8353 -17.0118 -16.8513 TIMING: 1096000 CPU: 3418.89, 0.00312812/step Wall: 3418.89, 0.00312812/step, 3.39227 hours remaining, 235.070312 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: 1096000 3918.3783 20512.9564 14474.5636 266.0213 -203440.0682 2923.4573 0.0000 0.0000 51977.0020 -109367.6893 298.7125 -161344.6913 -109015.5317 298.4621 89.4836 112.6422 763694.6514 17.0259 17.1016 PRESSURE: 1096200 -210.399 121.683 -176.521 121.683 167.464 228.784 -176.521 228.784 -168.72 GPRESSURE: 1096200 -122.862 49.151 -113.988 49.5084 106.631 214.752 -169.362 89.4868 -137.7 PRESSAVG: 1096200 38.3512 6.48512 -20.5736 6.48509 -18.4224 51.2146 -20.5735 51.2145 29.6525 GPRESSAVG: 1096200 38.4111 6.75098 -19.6039 6.16856 -18.7542 50.552 -20.4423 48.1269 30.0688 TIMING: 1096200 CPU: 3419.51, 0.00312246/step Wall: 3419.51, 0.00312246/step, 3.38596 hours remaining, 235.070312 MB of memory in use. ENERGY: 1096200 3925.5049 20544.2803 14499.8687 263.0005 -203283.3694 2709.6980 0.0000 0.0000 52057.5319 -109283.4851 299.1754 -161341.0170 -108925.7570 298.5406 -70.5516 -51.3103 762628.5137 16.5271 16.5752 LDB: ============= START OF LOAD BALANCING ============== 3431.99 LDB: ============== END OF LOAD BALANCING =============== 3431.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3431.99 LDB: ============= START OF LOAD BALANCING ============== 3432.31 LDB: Largest compute 7059 load 0.029741 is 15.3% of average load 0.194968 LDB: Average compute 0.004395 is 2.3% of average load 0.194968 LDB: TIME 3432.31 LOAD: AVG 0.194968 MAX 0.217234 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.188 MB LDB: TIME 3432.31 LOAD: AVG 0.194968 MAX 0.217234 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.188 MB LDB: TIME 3432.31 LOAD: AVG 0.194968 MAX 0.217234 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.188 MB LDB: ============== END OF LOAD BALANCING =============== 3432.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3432.32 PRESSURE: 1096400 -180.008 21.8785 -23.1054 21.8783 -367.24 172.084 -23.1066 172.084 264.138 GPRESSURE: 1096400 -130.233 3.73411 -44.561 82.6649 -345.799 107.592 -23.6793 252.417 282.768 PRESSAVG: 1096400 13.9647 -10.4188 37.7389 -10.4188 2.28797 26.0451 37.739 26.0451 3.10063 GPRESSAVG: 1096400 13.0664 -12.5167 35.386 -8.36235 3.35579 26.1952 38.5987 28.0526 2.90878 TIMING: 1096400 CPU: 3420.15, 0.00320601/step Wall: 3420.15, 0.00320601/step, 3.47638 hours remaining, 235.726562 MB of memory in use. ENERGY: 1096400 3980.4710 20407.2889 14428.4060 252.8322 -202998.2473 2566.1976 0.0000 0.0000 52128.5902 -109234.4614 299.5837 -161363.0516 -108872.4325 299.0602 -94.3700 -64.4211 760986.4040 6.4511 6.4437 PRESSURE: 1096600 119.926 221.339 -76.4911 221.34 -344.958 80.569 -76.4919 80.5694 -150.07 GPRESSURE: 1096600 66.9442 201.359 -54.6756 226.626 -270.67 40.7022 -86.7524 29.7421 -85.6881 PRESSAVG: 1096600 12.83 4.77665 57.1086 4.77666 11.6832 -5.6033 57.1086 -5.6033 -6.4678 GPRESSAVG: 1096600 11.1513 6.37452 58.7114 3.36036 12.9494 -5.91583 57.2462 -5.8158 -6.24172 TIMING: 1096600 CPU: 3420.78, 0.00313107/step Wall: 3420.78, 0.00313107/step, 3.39494 hours remaining, 235.726562 MB of memory in use. ENERGY: 1096600 4002.5936 20529.0624 14524.3028 270.7120 -203478.5473 2673.2811 0.0000 0.0000 52332.4889 -109146.1065 300.7555 -161478.5954 -108779.6370 299.5497 -125.0339 -96.4714 762781.7407 6.0151 5.9530 PRESSURE: 1096800 -53.5045 22.3388 138.156 22.3384 -49.7813 -54.3915 138.155 -54.3936 311.495 GPRESSURE: 1096800 -42.6271 7.17383 104.034 50.9019 -4.0729 -18.8433 54.7997 -179.278 355.818 PRESSAVG: 1096800 7.12419 -11.6679 -39.049 -11.6678 -45.4003 0.515498 -39.0491 0.515532 -2.23021 GPRESSAVG: 1096800 8.54102 -12.578 -38.7564 -11.2667 -46.4166 0.739531 -41.1971 -1.55886 -2.77244 TIMING: 1096800 CPU: 3421.41, 0.00313225/step Wall: 3421.41, 0.00313225/step, 3.39606 hours remaining, 235.726562 MB of memory in use. ENERGY: 1096800 3914.1150 20660.4884 14492.5700 253.6687 -203559.6105 2880.4429 0.0000 0.0000 51950.7302 -109407.5952 298.5616 -161358.3255 -109046.5675 299.7873 69.4030 103.0393 762400.3188 -13.5021 -13.5493 PRESSURE: 1097000 92.582 -67.0106 -159.299 -67.0102 101.832 -160.266 -159.299 -160.267 178.367 GPRESSURE: 1097000 173.121 31.0106 -131.001 -79.6872 51.4561 -49.4274 -136.423 -136.662 241.97 PRESSAVG: 1097000 66.1612 -58.3057 -0.695111 -58.3056 -65.4679 -11.2804 -0.695133 -11.2804 -8.01203 GPRESSAVG: 1097000 67.3699 -58.7531 -0.677825 -57.7027 -66.3799 -12.2265 1.07256 -8.56098 -8.03163 TIMING: 1097000 CPU: 3422.03, 0.00313174/step Wall: 3422.03, 0.00313174/step, 3.39533 hours remaining, 235.726562 MB of memory in use. ENERGY: 1097000 4102.9431 20514.0684 14395.9545 253.5050 -203399.5423 2504.8497 0.0000 0.0000 52115.1309 -109513.0906 299.5064 -161628.2215 -109141.4965 298.8676 124.2601 155.5159 760222.8642 -2.4396 -2.3472 PRESSURE: 1097200 91.4616 -22.8813 169.458 -22.8808 -23.7362 15.2374 169.458 15.2367 25.9108 GPRESSURE: 1097200 166.076 -74.6768 276.736 -19.5566 44.4068 11.2467 36.6124 -65.252 -29.0093 PRESSAVG: 1097200 22.4072 -38.8503 52.8305 -38.8503 1.62781 -24.1415 52.8305 -24.1416 6.04334 GPRESSAVG: 1097200 22.6796 -37.7388 52.4177 -41.3308 1.86277 -22.7438 52.505 -25.2384 5.26851 TIMING: 1097200 CPU: 3422.66, 0.00313057/step Wall: 3422.66, 0.00313057/step, 3.39389 hours remaining, 235.726562 MB of memory in use. ENERGY: 1097200 3970.5789 20550.1823 14495.4668 275.8274 -203357.6246 2665.5811 0.0000 0.0000 51823.3848 -109576.6033 297.8297 -161399.9881 -109209.4572 298.6215 31.2121 60.4913 761658.1272 10.0261 9.9370 PRESSURE: 1097400 -63.9331 3.82804 120.021 3.8289 -296.822 169.614 120.021 169.613 71.601 GPRESSURE: 1097400 36.6493 25.9455 260.259 -74.2543 -302.645 202.502 59.9594 181.419 49.4264 PRESSAVG: 1097400 -37.4804 -6.20367 14.7294 -6.20361 35 37.0291 14.7293 37.0291 -6.07023 GPRESSAVG: 1097400 -37.1133 -5.52505 14.9444 -7.42807 35.2975 36.4912 14.6223 37.3601 -7.02024 TIMING: 1097400 CPU: 3423.28, 0.00313391/step Wall: 3423.28, 0.00313391/step, 3.39734 hours remaining, 235.726562 MB of memory in use. ENERGY: 1097400 4071.0045 20391.3109 14442.2211 236.5099 -203274.5664 2463.2109 0.0000 0.0000 52060.5059 -109609.8032 299.1924 -161670.3091 -109239.5595 298.8820 -96.3848 -72.1899 761122.4966 -2.8502 -2.9454 PRESSURE: 1097600 159.886 96.6247 -58.7165 96.6245 -71.3037 115.975 -58.7171 115.976 -219.717 GPRESSURE: 1097600 163.579 60.3942 16.5937 160.286 18.7529 36.6353 46.5187 94.7367 -210.435 PRESSAVG: 1097600 27.8738 11.3612 36.4021 11.3612 -21.2968 0.297585 36.4021 0.297644 19.8165 GPRESSAVG: 1097600 27.0935 9.12883 35.707 13.6807 -21.4749 1.6889 36.5579 -0.000468112 21.5312 TIMING: 1097600 CPU: 3423.91, 0.00312641/step Wall: 3423.91, 0.00312641/step, 3.38903 hours remaining, 235.726562 MB of memory in use. ENERGY: 1097600 3963.6236 20584.6509 14430.5899 254.3404 -203173.0524 2538.0558 0.0000 0.0000 51658.4348 -109743.3570 296.8817 -161401.7919 -109385.3386 298.3289 -43.7118 -9.3678 761242.2187 8.7978 9.0499 PRESSURE: 1097800 -39.4508 -224.572 39.0389 -224.573 152.981 36.5284 39.0389 36.5286 61.9601 GPRESSURE: 1097800 -8.89504 -11.1314 47.3967 -194.115 174.072 28.6907 -13.2344 -46.6697 81.0243 PRESSAVG: 1097800 -24.5479 -8.28092 19.4069 -8.2809 30.0193 -63.1229 19.4069 -63.1229 -10.1148 GPRESSAVG: 1097800 -26.2195 -6.93535 19.4691 -7.52271 31.801 -63.5679 19.435 -63.8482 -10.4913 TIMING: 1097800 CPU: 3424.53, 0.00312059/step Wall: 3424.53, 0.00312059/step, 3.38255 hours remaining, 235.726562 MB of memory in use. ENERGY: 1097800 3977.6911 20368.0078 14433.1401 243.5862 -203236.6040 2662.0742 0.0000 0.0000 51650.2701 -109901.8346 296.8348 -161552.1047 -109534.0380 297.7750 58.4969 82.0671 760752.5731 -1.5478 -1.6366 PRESSURE: 1098000 -247.294 187.474 105.282 187.474 -137.032 58.2209 105.281 58.2214 -56.2258 GPRESSURE: 1098000 -155.583 189.66 45.7925 114.335 -191.793 17.0646 116.752 75.091 -1.92404 PRESSAVG: 1098000 -15.3514 -31.5531 75.5096 -31.5531 2.73231 2.9544 75.5096 2.95442 7.94635 GPRESSAVG: 1098000 -13.9456 -32.2276 76.1732 -31.057 0.995048 2.25191 74.7856 4.90503 8.34347 TIMING: 1098000 CPU: 3425.16, 0.00313043/step Wall: 3425.16, 0.00313043/step, 3.39304 hours remaining, 235.726562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1098000 4021.3849 20496.4783 14432.0825 247.9206 -203305.4031 2731.1462 0.0000 0.0000 51803.1945 -109573.1962 297.7137 -161376.3907 -109198.3670 297.9112 -146.8505 -116.4332 760962.7538 -1.5576 -1.5357 PRESSURE: 1098200 37.0105 -216.079 -53.8238 -216.079 -113.874 -52.3871 -53.8246 -52.3866 77.8687 GPRESSURE: 1098200 111.809 -235.003 -92.0699 -319.451 -63.901 -28.483 -2.19833 -69.1855 30.6404 PRESSAVG: 1098200 15.4243 -25.0539 34.7151 -25.0538 -9.39335 -6.16193 34.7151 -6.16183 22.5524 GPRESSAVG: 1098200 15.7759 -27.0518 34.282 -24.8345 -9.81324 -5.71768 36.9856 -8.87245 22.6414 TIMING: 1098200 CPU: 3425.78, 0.0031146/step Wall: 3425.78, 0.0031146/step, 3.37571 hours remaining, 235.726562 MB of memory in use. ENERGY: 1098200 4080.3199 20352.1039 14446.9043 253.8919 -203217.3067 2594.4945 0.0000 0.0000 51948.3616 -109541.2306 298.5479 -161489.5922 -109191.1209 298.2227 0.3350 26.1830 761312.8723 9.5278 9.5347 PRESSURE: 1098400 -169.449 -188.726 147.481 -188.727 -329.572 224.656 147.481 224.657 -145.08 GPRESSURE: 1098400 -190.722 -230.141 169.189 -152.849 -247.558 245.621 33.3954 267.761 -109.682 PRESSAVG: 1098400 6.50675 -53.5038 -33.9856 -53.5037 0.378935 18.1676 -33.9856 18.1677 -8.89645 GPRESSAVG: 1098400 5.64535 -51.099 -34.3965 -53.7893 2.32051 17.3573 -35.1122 19.6778 -9.75142 TIMING: 1098400 CPU: 3426.41, 0.00312288/step Wall: 3426.41, 0.00312288/step, 3.38451 hours remaining, 235.726562 MB of memory in use. ENERGY: 1098400 4037.6133 20327.1604 14468.9008 253.4935 -202970.5113 2615.0795 0.0000 0.0000 51875.2648 -109392.9990 298.1279 -161268.2638 -109032.6470 298.5158 -214.7004 -182.6541 762533.5793 -0.6703 -0.5952 PRESSURE: 1098600 131.258 3.61663 32.0454 3.61582 -193.2 76.3031 32.0455 76.3039 -114.992 GPRESSURE: 1098600 156.551 16.8065 17.8053 -113.908 -207.035 122.497 61.3704 139.701 -45.6227 PRESSAVG: 1098600 18.9327 -62.8665 -24.0844 -62.8665 -48.8846 18.1763 -24.0845 18.1763 -8.3295 GPRESSAVG: 1098600 20.3497 -63.2012 -24.8221 -64.6549 -50.4643 19.8395 -23.6907 18.1126 -8.11088 TIMING: 1098600 CPU: 3427.03, 0.00313369/step Wall: 3427.03, 0.00313369/step, 3.39605 hours remaining, 235.726562 MB of memory in use. ENERGY: 1098600 4024.4285 20417.1522 14444.5477 241.1439 -203104.7926 2609.8101 0.0000 0.0000 51952.3408 -109415.3695 298.5708 -161367.7103 -109060.0202 298.8393 -58.9780 -32.0355 763207.1791 -12.7604 -12.7418 PRESSURE: 1098800 -472.392 -24.6633 50.0556 -24.6633 -312.67 102.456 50.0559 102.455 -671.504 GPRESSURE: 1098800 -448.781 -23.8274 106.559 50.9757 -235.967 78.9901 63.3387 -6.48343 -684.092 PRESSAVG: 1098800 -4.82661 -60.4628 -0.694477 -60.4629 -3.22917 41.1625 -0.694456 41.1626 20.3774 GPRESSAVG: 1098800 -5.64841 -61.1357 0.453552 -59.3659 -2.48553 39.5176 -3.25548 40.1587 19.8047 TIMING: 1098800 CPU: 3427.65, 0.0031027/step Wall: 3427.65, 0.0031027/step, 3.3623 hours remaining, 235.726562 MB of memory in use. ENERGY: 1098800 3948.3500 20492.3241 14454.7264 239.2589 -202971.9674 2222.9745 0.0000 0.0000 52100.5975 -109513.7358 299.4229 -161614.3334 -109144.4978 298.8610 -485.5220 -456.2802 763587.9598 4.1072 3.8903 PRESSURE: 1099000 80.9622 -93.6492 122.287 -93.6495 -228.724 -200.507 122.287 -200.507 -59.8091 GPRESSURE: 1099000 75.0562 -28.0179 122.241 -89.9258 -197.252 -263.939 131.092 -192.632 22.6792 PRESSAVG: 1099000 -13.9954 -35.3411 6.84158 -35.3411 30.2335 17.7188 6.84162 17.719 16.6671 GPRESSAVG: 1099000 -13.9987 -34.7695 6.68769 -35.2652 28.8173 18.228 12.1721 18.7643 17.9086 TIMING: 1099000 CPU: 3428.28, 0.00312911/step Wall: 3428.28, 0.00312911/step, 3.39074 hours remaining, 235.726562 MB of memory in use. ENERGY: 1099000 3977.1641 20387.7932 14387.1559 251.0588 -203207.9758 2539.6449 0.0000 0.0000 52191.6216 -109473.5373 299.9460 -161665.1590 -109104.4281 298.7619 -69.1903 -33.1721 762761.3387 10.9684 10.9090 PRESSURE: 1099200 -260.827 -119.397 -50.2268 -119.397 -78.1324 50.7371 -50.2266 50.7369 -395.561 GPRESSURE: 1099200 -228.629 -54.0414 8.72772 -273.262 -36.2714 74.1387 34.3545 64.7036 -366.06 PRESSAVG: 1099200 -19.6119 -27.6079 25.9998 -27.6079 14.5988 6.80479 25.9997 6.80476 6.01701 GPRESSAVG: 1099200 -18.805 -28.6402 23.962 -27.64 15.4161 6.25123 25.5962 6.47122 4.50261 TIMING: 1099200 CPU: 3428.91, 0.00312955/step Wall: 3428.91, 0.00312955/step, 3.39104 hours remaining, 235.726562 MB of memory in use. ENERGY: 1099200 4022.9335 20264.9423 14474.1175 236.4401 -202951.9622 2496.1904 0.0000 0.0000 52181.2125 -109276.1259 299.8861 -161457.3385 -108902.7089 298.5050 -244.8402 -210.3203 764678.9932 0.3346 0.3712 PRESSURE: 1099400 -275.031 66.6336 -73.519 66.6343 -362.976 154.781 -73.5195 154.781 -73.7845 GPRESSURE: 1099400 -268.23 92.0991 -36.6522 -17.7069 -292.091 275.19 -85.8012 120.159 -54.6522 PRESSAVG: 1099400 7.05908 18.7801 -24.1204 18.7802 -12.4638 26.7233 -24.1205 26.7234 0.444696 GPRESSAVG: 1099400 6.07039 19.9662 -21.0879 19.6125 -12.7002 27.8442 -28.6365 26.1385 1.98447 TIMING: 1099400 CPU: 3429.53, 0.00311778/step Wall: 3429.53, 0.00311778/step, 3.37811 hours remaining, 235.726562 MB of memory in use. ENERGY: 1099400 3979.8549 20375.7381 14439.9985 271.6084 -202762.2388 2551.8072 0.0000 0.0000 52053.2546 -109089.9771 299.1508 -161143.2317 -108718.4591 298.9652 -237.2638 -204.9911 764782.8354 -1.6533 -1.5484 PRESSURE: 1099600 -57.2771 -103.744 -56.8724 -103.744 215.558 -114.231 -56.8722 -114.229 -154.448 GPRESSURE: 1099600 59.61 -18.4514 -63.7739 -71.6105 233.176 -92.2713 -54.799 -97.5001 -187.128 PRESSAVG: 1099600 3.09104 -29.0327 -46.4392 -29.0327 -26.6938 -43.3839 -46.4392 -43.3839 0.359689 GPRESSAVG: 1099600 3.68305 -30.3672 -47.7632 -29.2959 -26.0309 -44.1974 -43.5912 -43.6554 -0.720926 TIMING: 1099600 CPU: 3430.16, 0.00312525/step Wall: 3430.16, 0.00312525/step, 3.38604 hours remaining, 235.726562 MB of memory in use. ENERGY: 1099600 3926.2374 20350.6989 14488.3100 231.2581 -202877.5133 2922.6158 0.0000 0.0000 51812.0937 -109146.2995 297.7648 -160958.3932 -108784.2512 298.5424 1.2777 35.2195 763838.0943 -7.7477 -7.6896 PRESSURE: 1099800 -163.878 -177.413 -78.5331 -177.412 -162.631 -58.8582 -78.5332 -58.8575 65.0347 GPRESSURE: 1099800 -96.4573 -114.194 -82.7206 -191.434 -149.872 -141.063 -132.921 -14.5411 78.6508 PRESSAVG: 1099800 -0.987064 -2.05523 -58.2321 -2.05522 -38.8373 -59.6478 -58.2321 -59.6477 -5.22373 GPRESSAVG: 1099800 -1.2571 -1.51598 -57.4066 -2.89072 -39.4404 -58.9211 -59.1662 -58.608 -4.41011 TIMING: 1099800 CPU: 3430.78, 0.00313994/step Wall: 3430.78, 0.00313994/step, 3.40178 hours remaining, 235.726562 MB of memory in use. ENERGY: 1099800 3941.4423 20443.5287 14480.7922 263.4732 -203004.4977 2621.6248 0.0000 0.0000 52162.9888 -109090.6476 299.7814 -161253.6365 -108721.4074 299.4317 -87.1582 -55.8927 764183.9430 -15.0160 -15.0359 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1100000 WRITING COORDINATES TO RESTART FILE AT STEP 1100000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1100000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1100000 -151.991 23.2719 51.2283 23.2724 193.05 155.469 51.2279 155.47 -11.6809 GPRESSURE: 1100000 -149.198 50.1272 10.57 90.1809 258.289 136.266 179.051 77.6905 -6.74805 PRESSAVG: 1100000 -38.583 -19.6982 5.77618 -19.6982 33.8312 -30.8184 5.77614 -30.8185 -4.31277 GPRESSAVG: 1100000 -38.8202 -18.181 4.08021 -19.5696 32.905 -31.4519 5.08897 -31.0725 -3.69231 TIMING: 1100000 CPU: 3431.43, 0.00321822/step Wall: 3431.43, 0.00321822/step, 3.48641 hours remaining, 235.726562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1100000 4001.1451 20484.7632 14511.1606 259.4094 -203016.8164 2728.1839 0.0000 0.0000 52002.2491 -109029.9049 298.8576 -161032.1541 -108670.2912 298.8422 9.7928 34.1142 763418.0357 -3.0215 -3.2025 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1100000 PRESSURE: 1100200 -33.1405 22.3727 94.2367 22.3721 -8.77937 241.595 94.2366 241.595 241.971 GPRESSURE: 1100200 -29.6324 -20.9655 -3.51321 -31.3141 66.0716 265.632 68.7787 160.36 241.372 PRESSAVG: 1100200 -11.3851 4.33467 6.07039 4.33465 54.4552 25.8647 6.07036 25.8648 -1.1075 GPRESSAVG: 1100200 -11.152 3.61492 8.60832 4.46533 55.5173 26.1275 5.54992 23.8918 -2.7189 TIMING: 1100200 CPU: 3432.06, 0.00314449/step Wall: 3432.06, 0.00314449/step, 3.40636 hours remaining, 235.726562 MB of memory in use. ENERGY: 1100200 4002.3630 20567.4834 14401.4348 242.3971 -203118.8006 2892.8343 0.0000 0.0000 52089.0058 -108923.2821 299.3562 -161012.2880 -108570.4060 298.9442 66.6836 92.6038 765589.5379 13.9875 13.8821 LDB: ============= START OF LOAD BALANCING ============== 3444.53 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3444.53 LDB: =============== DONE WITH MIGRATION ================ 3444.54 LDB: ============= START OF LOAD BALANCING ============== 3444.85 LDB: Largest compute 7002 load 0.030046 is 15.4% of average load 0.194999 LDB: Average compute 0.004396 is 2.3% of average load 0.194999 LDB: TIME 3444.85 LOAD: AVG 0.194999 MAX 0.216073 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.336 MB LDB: TIME 3444.85 LOAD: AVG 0.194999 MAX 0.216073 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.34 MB LDB: TIME 3444.85 LOAD: AVG 0.194999 MAX 0.216073 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.34 MB LDB: ============== END OF LOAD BALANCING =============== 3444.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3444.86 PRESSURE: 1100400 224.235 123.844 90.212 123.845 61.2796 -124.136 90.2127 -124.136 -227.568 GPRESSURE: 1100400 152.988 103.482 67.6397 105.604 50.6145 -67.1974 24.259 -37.6772 -62.2789 PRESSAVG: 1100400 -31.7071 -14.491 22.1963 -14.4911 8.57186 -23.4707 22.1962 -23.4706 5.82477 GPRESSAVG: 1100400 -31.7901 -14.2004 20.6436 -13.8015 7.75704 -23.6043 22.6767 -24.227 6.51187 TIMING: 1100400 CPU: 3432.69, 0.00318893/step Wall: 3432.69, 0.00318893/step, 3.45432 hours remaining, 235.332031 MB of memory in use. ENERGY: 1100400 3947.4478 20522.5225 14461.3570 242.4532 -203070.8211 2829.6314 0.0000 0.0000 52233.3968 -108834.0123 300.1860 -161067.4091 -108469.2228 299.6162 19.3154 47.1077 764644.8218 -5.7701 -5.8404 PRESSURE: 1100600 102.966 58.0713 -54.8374 58.0715 255.238 -18.3571 -54.8376 -18.3562 -244.745 GPRESSURE: 1100600 96.7349 -120.906 -53.6793 151.497 261.424 -78.1859 -103.313 -86.7013 -159.854 PRESSAVG: 1100600 -39.3422 19.5796 8.31703 19.5796 51.079 -19.8983 8.31703 -19.8983 -6.28299 GPRESSAVG: 1100600 -38.8254 19.3011 7.84744 18.8466 51.5978 -18.7906 8.89852 -20.3917 -6.71572 TIMING: 1100600 CPU: 3433.32, 0.00314928/step Wall: 3433.32, 0.00314928/step, 3.4112 hours remaining, 235.531250 MB of memory in use. ENERGY: 1100600 4024.8785 20666.8880 14485.5824 255.6360 -203611.4139 3095.4884 0.0000 0.0000 52212.3586 -108870.5819 300.0651 -161082.9405 -108505.5891 299.6586 37.8195 66.1018 762946.4298 1.8179 2.0189 PRESSURE: 1100800 151.567 -331.34 129.132 -331.34 -14.7175 136.742 129.131 136.743 280.126 GPRESSURE: 1100800 158.797 -211.464 58.4892 -154.205 -33.862 192.539 197.113 142.041 374.252 PRESSAVG: 1100800 -28.1703 -0.536423 47.0678 -0.536384 8.14217 -13.8105 47.0679 -13.8105 -11.9875 GPRESSAVG: 1100800 -28.5752 1.64215 47.1339 -0.334542 8.13387 -13.0887 45.2512 -13.4052 -11.6389 TIMING: 1100800 CPU: 3433.95, 0.00314207/step Wall: 3433.95, 0.00314207/step, 3.40321 hours remaining, 235.531250 MB of memory in use. ENERGY: 1100800 4008.3700 20572.3931 14436.1566 264.4857 -203039.1961 2800.9896 0.0000 0.0000 51957.4855 -108999.3156 298.6004 -160956.8011 -108641.6952 299.6970 138.9918 166.3958 763935.1239 -10.6719 -10.6934 PRESSURE: 1101000 -72.5497 -23.8013 -271.575 -23.8014 53.3838 47.124 -271.575 47.1257 104.439 GPRESSURE: 1101000 -97.9848 -37.4157 -362.287 -30.6654 101.184 13.6043 -198.815 -67.3318 171.212 PRESSAVG: 1101000 -32.6827 -40.9317 3.96407 -40.9317 7.36982 -7.53195 3.96409 -7.53199 4.72997 GPRESSAVG: 1101000 -34.7441 -40.349 3.95515 -41.1562 8.73668 -9.62096 7.26441 -5.62786 5.28043 TIMING: 1101000 CPU: 3434.58, 0.00313686/step Wall: 3434.58, 0.00313686/step, 3.3974 hours remaining, 235.531250 MB of memory in use. ENERGY: 1101000 3938.2840 20533.5122 14522.9152 241.2446 -203038.6180 2795.3351 0.0000 0.0000 52104.9449 -108902.3819 299.4478 -161007.3269 -108535.9210 299.4573 28.4245 58.1369 765326.7818 -6.8610 -6.9090 PRESSURE: 1101200 142.9 -2.77257 166.495 -2.77322 163.677 -21.8371 166.495 -21.8368 -155.985 GPRESSURE: 1101200 174.438 -4.26003 148.855 6.6726 161.451 -9.72642 117.237 16.26 -101.213 PRESSAVG: 1101200 7.70121 -5.50566 14.6194 -5.50559 -31.7225 -44.3974 14.6194 -44.3973 18.5777 GPRESSAVG: 1101200 10.6647 -7.71001 15.2867 -4.5955 -33.9724 -44.5707 13.4974 -45.3086 17.6854 TIMING: 1101200 CPU: 3435.21, 0.00313073/step Wall: 3435.21, 0.00313073/step, 3.39058 hours remaining, 235.531250 MB of memory in use. ENERGY: 1101200 3967.5400 20592.2041 14476.4274 228.7608 -203266.1010 2832.4632 0.0000 0.0000 52236.3974 -108932.3080 300.2033 -161168.7054 -108574.9638 299.4992 50.1974 78.2251 763609.6281 -1.8145 -1.8741 PRESSURE: 1101400 -516.721 19.5646 17.4731 19.5639 -320.912 27.2758 17.4722 27.275 -485.134 GPRESSURE: 1101400 -418.172 5.35028 63.6424 -141.405 -387.781 35.2318 104.679 -31.184 -441.181 PRESSAVG: 1101400 -7.44866 -10.669 6.91275 -10.669 43.3021 -2.4559 6.91272 -2.45587 15.1657 GPRESSAVG: 1101400 -6.58343 -12.8167 8.03371 -11.3353 42.8408 -2.97686 8.06478 -3.27057 14.7235 TIMING: 1101400 CPU: 3435.83, 0.00313486/step Wall: 3435.83, 0.00313486/step, 3.39488 hours remaining, 235.531250 MB of memory in use. ENERGY: 1101400 3933.8622 20593.6942 14504.6018 263.6383 -202919.9746 2499.0836 0.0000 0.0000 52202.2878 -108922.8067 300.0073 -161125.0945 -108565.6930 299.3373 -440.9223 -415.7113 764668.5126 17.0064 16.9936 PRESSURE: 1101600 490.019 -28.0785 -212.295 -28.0785 403.064 -3.91362 -212.295 -3.91342 280.69 GPRESSURE: 1101600 449.531 -81.0086 -242.449 -147.385 541.913 5.94568 -161.595 -130.966 272.625 PRESSAVG: 1101600 -4.16462 -14.6924 -48.2229 -14.6924 -1.84109 41.3994 -48.2229 41.3994 -14.2543 GPRESSAVG: 1101600 -6.17668 -12.3205 -48.6417 -12.6874 -0.279812 41.6892 -49.5469 42.4663 -14.5099 TIMING: 1101600 CPU: 3436.46, 0.00312411/step Wall: 3436.46, 0.00312411/step, 3.38307 hours remaining, 235.531250 MB of memory in use. ENERGY: 1101600 3924.8378 20501.1452 14482.0369 268.6163 -203597.9526 3131.0769 0.0000 0.0000 52258.9155 -109031.3240 300.3327 -161290.2395 -108664.5904 299.3285 391.2576 421.3565 763040.0575 -6.7533 -6.9888 PRESSURE: 1101800 422.703 108.292 1.50517 108.292 255.649 -77.9326 1.50489 -77.9319 -98.9363 GPRESSURE: 1101800 446.967 51.6769 79.2008 140.083 260.217 -123.294 -103.296 -35.8237 -56.8516 PRESSAVG: 1101800 28.3699 -10.0686 -67.082 -10.0685 28.1747 15.2701 -67.082 15.2701 -7.18379 GPRESSAVG: 1101800 28.7676 -9.17488 -67.2389 -13.6899 27.4723 16.5119 -67.3155 16.21 -7.02539 TIMING: 1101800 CPU: 3437.08, 0.00313076/step Wall: 3437.08, 0.00313076/step, 3.3901 hours remaining, 235.531250 MB of memory in use. ENERGY: 1101800 3950.3314 20615.3567 14494.5915 235.6768 -203183.1084 2846.4828 0.0000 0.0000 52059.4143 -108981.2549 299.1862 -161040.6692 -108621.4166 299.2435 193.1387 216.7772 762119.3800 16.4536 16.4048 PRESSURE: 1102000 -283.727 -118.925 -31.3676 -118.925 -359.175 5.74087 -31.3674 5.74012 -176.186 GPRESSURE: 1102000 -278.135 -96.5397 -17.4063 -76.3858 -242.181 -40.7869 -84.461 -38.0555 -199.659 PRESSAVG: 1102000 15.6872 -8.98265 -33.1716 -8.98264 -67.7297 50.9762 -33.1716 50.9761 -22.9765 GPRESSAVG: 1102000 15.2712 -8.18205 -34.6088 -7.97345 -66.8141 50.8993 -31.5032 49.8746 -22.4273 TIMING: 1102000 CPU: 3437.71, 0.00314037/step Wall: 3437.71, 0.00314037/step, 3.40032 hours remaining, 235.531250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1102000 4007.4496 20539.4569 14460.9057 236.7333 -202852.1290 2474.6938 0.0000 0.0000 52048.4236 -109084.4661 299.1230 -161132.8897 -108720.7262 298.8826 -273.0295 -239.9919 763665.1628 -25.0063 -24.6568 PRESSURE: 1102200 379.15 -15.663 17.622 -15.663 112.282 278.948 17.6216 278.948 302.845 GPRESSURE: 1102200 393.794 92.0397 -68.1028 -40.3284 188.234 281.284 80.32 100.795 313.141 PRESSAVG: 1102200 18.9168 -11.5571 -59.2245 -11.5571 -44.0998 -17.4273 -59.2245 -17.4273 16.8501 GPRESSAVG: 1102200 18.9599 -11.472 -58.488 -11.1159 -43.3513 -17.8269 -61.2941 -18.729 16.4595 TIMING: 1102200 CPU: 3438.33, 0.00311517/step Wall: 3438.33, 0.00311517/step, 3.37286 hours remaining, 235.531250 MB of memory in use. ENERGY: 1102200 3975.2337 20525.8991 14464.9231 232.3465 -203442.7514 3054.0092 0.0000 0.0000 52069.5591 -109120.7807 299.2445 -161190.3398 -108764.9799 299.1185 264.7591 298.3895 762630.1199 -2.7776 -2.6439 PRESSURE: 1102400 -181.012 -139.739 127.755 -139.738 300.031 64.6068 127.755 64.6061 338.941 GPRESSURE: 1102400 -124.254 -76.4266 66.7962 -121.221 310.564 38.6637 140.298 29.7809 353.705 PRESSAVG: 1102400 30.4961 32.1542 -31.5565 32.1543 -29.2641 56.486 -31.5566 56.4861 14.4469 GPRESSAVG: 1102400 31.1097 31.8758 -32.4666 33.3713 -30.5182 56.1412 -31.9078 58.5661 15.2854 TIMING: 1102400 CPU: 3438.96, 0.00313435/step Wall: 3438.96, 0.00313434/step, 3.39345 hours remaining, 235.531250 MB of memory in use. ENERGY: 1102400 3928.7543 20483.9994 14426.7065 244.2130 -203268.2298 2778.3727 0.0000 0.0000 52359.5102 -109046.6737 300.9108 -161406.1840 -108675.4354 298.8997 152.6532 180.0048 761852.5360 5.2263 5.2923 PRESSURE: 1102600 323.211 137.176 -244.509 137.175 -11.9674 -2.49911 -244.509 -2.49826 342.538 GPRESSURE: 1102600 285.391 194.537 -233.762 142.103 93.5871 -27.7415 -318.931 8.04923 373.763 PRESSAVG: 1102600 -9.02941 16.1137 -39.9762 16.1138 5.84008 -24.6087 -39.9762 -24.6087 -20.751 GPRESSAVG: 1102600 -10.87 17.9525 -38.2075 14.7715 7.19238 -25.4598 -38.9393 -25.4529 -20.4123 TIMING: 1102600 CPU: 3439.59, 0.00313827/step Wall: 3439.59, 0.00313827/step, 3.39752 hours remaining, 235.531250 MB of memory in use. ENERGY: 1102600 3935.5817 20541.4636 14449.3675 235.1729 -203057.5426 2681.0075 0.0000 0.0000 52337.3772 -108877.5724 300.7836 -161214.9495 -108504.1529 299.7970 217.9273 250.9136 762486.8269 -7.9801 -8.0300 PRESSURE: 1102800 -192.062 -271.482 75.5399 -271.482 225.295 -12.6745 75.5398 -12.674 -7.1258 GPRESSURE: 1102800 -117.292 -232.962 53.326 -276.426 259.748 -8.56117 144.344 -45.0269 -35.0979 PRESSAVG: 1102800 -51.3952 -23.2457 -23.2746 -23.2457 59.5778 -52.0958 -23.2746 -52.0956 -25.0176 GPRESSAVG: 1102800 -50.3931 -25.8622 -23.0773 -23.4334 58.7185 -50.1489 -24.3278 -51.2258 -25.9716 TIMING: 1102800 CPU: 3440.21, 0.00312309/step Wall: 3440.21, 0.00312309/step, 3.38092 hours remaining, 235.531250 MB of memory in use. ENERGY: 1102800 4090.3516 20548.7535 14401.1113 256.4442 -202935.4218 2780.5893 0.0000 0.0000 51908.5693 -108949.6026 298.3193 -160858.1718 -108584.0455 299.8316 8.7025 35.7862 763329.0021 -5.6117 -5.8821 PRESSURE: 1103000 -405.753 -32.0837 -96.7666 -32.083 -195.38 -160.756 -96.7663 -160.756 -406.57 GPRESSURE: 1103000 -393.801 -72.3594 -64.2891 -19.7651 -151.019 -5.42684 -51.6366 -92.6096 -376.95 PRESSAVG: 1103000 20.2441 -36.2237 -32.1977 -36.2237 34.9209 -44.5218 -32.1977 -44.5218 16.4619 GPRESSAVG: 1103000 21.2685 -35.7582 -31.6498 -35.2443 34.3204 -45.0922 -29.8971 -45.8012 16.5802 TIMING: 1103000 CPU: 3440.84, 0.00311215/step Wall: 3440.84, 0.00311215/step, 3.36891 hours remaining, 235.531250 MB of memory in use. ENERGY: 1103000 4009.7920 20580.6347 14417.5286 236.8158 -202985.5916 2642.2149 0.0000 0.0000 52023.8385 -109074.7672 298.9817 -161098.6056 -108708.2220 299.5834 -335.9013 -307.2566 764077.1961 23.8756 24.0564 PRESSURE: 1103200 -164.402 22.5876 -153.897 22.5878 -18.1235 57.1716 -153.898 57.1717 -134.559 GPRESSURE: 1103200 -53.0277 92.5789 -238.948 60.4123 -30.9183 8.07315 -137.445 9.81922 -169.054 PRESSAVG: 1103200 -14.6906 -19.9252 -0.736095 -19.9253 -3.30135 -20.1515 -0.73611 -20.1515 -13.1295 GPRESSAVG: 1103200 -15.9936 -21.5677 -3.62412 -19.7997 -2.23459 -21.4836 -2.11349 -18.7138 -13.2728 TIMING: 1103200 CPU: 3441.46, 0.00312941/step Wall: 3441.46, 0.00312941/step, 3.38741 hours remaining, 235.531250 MB of memory in use. ENERGY: 1103200 4020.8322 20515.9862 14403.9531 235.3264 -202787.8825 2616.8583 0.0000 0.0000 52123.2824 -108871.6438 299.5532 -160994.9262 -108515.8718 299.7010 -105.6950 -84.3334 764380.7617 -10.3738 -10.5003 PRESSURE: 1103400 -133.704 -197.855 315.822 -197.855 -144.237 -13.6098 315.823 -13.6101 -167.363 GPRESSURE: 1103400 -134.003 -169.342 268.707 -129.047 -93.5334 -15.4052 299.717 6.1847 -137.801 PRESSAVG: 1103400 -32.389 -20.0507 62.1955 -20.0507 43.1838 -66.3038 62.1956 -66.3037 -11.176 GPRESSAVG: 1103400 -31.8808 -18.5626 63.2815 -19.7415 42.0604 -66.5353 62.2358 -65.6677 -10.3485 TIMING: 1103400 CPU: 3442.09, 0.00312753/step Wall: 3442.09, 0.00312753/step, 3.3852 hours remaining, 235.531250 MB of memory in use. ENERGY: 1103400 3934.2174 20569.2515 14433.6778 254.4861 -203015.0870 2635.8859 0.0000 0.0000 52222.8267 -108964.7415 300.1253 -161187.5682 -108602.5302 299.5054 -148.4346 -121.7791 763456.1395 -0.1271 -0.0563 PRESSURE: 1103600 302.257 -74.5611 -1.64968 -74.5602 -51.416 -23.0004 -1.64928 -23.0002 -100.364 GPRESSURE: 1103600 250.29 -46.1281 -4.01846 -109.858 58.4661 -9.40606 29.0229 70.3056 -79.1633 PRESSAVG: 1103600 -19.1402 -41.612 -42.2499 -41.6119 3.15179 -22.5019 -42.2499 -22.5019 8.57667 GPRESSAVG: 1103600 -18.7347 -40.6043 -41.3485 -42.5224 2.91786 -21.4668 -40.6167 -23.1807 7.97944 TIMING: 1103600 CPU: 3442.71, 0.00311737/step Wall: 3442.71, 0.00311737/step, 3.37403 hours remaining, 235.531250 MB of memory in use. ENERGY: 1103600 3950.4900 20366.8471 14347.1113 237.3642 -202955.6461 2872.3380 0.0000 0.0000 52262.3259 -108919.1696 300.3523 -161181.4956 -108548.9991 299.9316 50.1588 76.5308 765316.1105 -2.4706 -2.6125 PRESSURE: 1103800 50.3188 -146.123 -27.9548 -146.124 285.12 -35.8576 -27.9554 -35.8574 -179.454 GPRESSURE: 1103800 42.4408 -158.797 -60.7263 -151.736 229.959 27.4659 -84.3828 -150.275 -45.523 PRESSAVG: 1103800 36.9814 -61.9666 4.96579 -61.9665 -6.26113 -57.872 4.96588 -57.8721 -0.357664 GPRESSAVG: 1103800 36.0526 -61.9285 5.06884 -62.1748 -5.5255 -58.8981 3.43943 -57.6309 0.248902 TIMING: 1103800 CPU: 3443.33, 0.00311525/step Wall: 3443.33, 0.00311525/step, 3.37157 hours remaining, 235.531250 MB of memory in use. ENERGY: 1103800 4007.8586 20611.0097 14469.4282 261.7061 -203230.2331 2666.8186 0.0000 0.0000 52144.8172 -109068.5946 299.6770 -161213.4119 -108699.5648 299.6827 51.9949 75.6256 763271.9780 10.1209 10.2587 PRESSURE: 1104000 -164.086 -148.497 -67.3886 -148.496 -416.209 53.063 -67.3884 53.0633 -463.972 GPRESSURE: 1104000 -158.125 -173.05 -64.1651 -180.007 -372.051 15.8248 -53.978 80.243 -433.053 PRESSAVG: 1104000 -2.43279 -47.479 11.372 -47.4791 11.1174 25.9934 11.3719 25.9934 10.4192 GPRESSAVG: 1104000 -2.44135 -47.6293 11.1623 -46.8355 10.4829 26.9988 13.2963 23.3648 10.8638 TIMING: 1104000 CPU: 3443.96, 0.00311464/step Wall: 3443.96, 0.00311464/step, 3.37073 hours remaining, 235.531250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1104000 3950.5373 20437.3880 14380.7738 263.2603 -202916.8960 2594.2666 0.0000 0.0000 52250.4949 -109040.1751 300.2843 -161290.6700 -108668.5461 299.5470 -348.0889 -321.0766 764524.1143 6.3679 6.3018 PRESSURE: 1104200 27.6062 30.415 41.2602 30.4141 -197.479 39.1017 41.2608 39.1018 264.987 GPRESSURE: 1104200 5.63928 -76.4182 10.2324 42.3063 -149.43 71.717 -103.6 140.637 326.942 PRESSAVG: 1104200 -6.76682 17.4713 -33.5736 17.4714 0.574336 49.3613 -33.5736 49.3612 11.1781 GPRESSAVG: 1104200 -7.22873 18.0124 -33.1142 17.9467 0.759702 49.0667 -36.3451 52.3623 11.1645 TIMING: 1104200 CPU: 3444.58, 0.00311964/step Wall: 3444.58, 0.00311964/step, 3.37598 hours remaining, 235.531250 MB of memory in use. ENERGY: 1104200 3987.9964 20585.2066 14437.0246 221.1734 -203464.7699 2875.8869 0.0000 0.0000 52412.3759 -108945.1061 301.2146 -161357.4820 -108581.6238 299.9724 31.7048 61.0505 763653.2533 1.6619 1.5652 LDB: ============= START OF LOAD BALANCING ============== 3457.06 LDB: ============== END OF LOAD BALANCING =============== 3457.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3457.06 LDB: ============= START OF LOAD BALANCING ============== 3457.38 LDB: Largest compute 6972 load 0.030577 is 15.7% of average load 0.194973 LDB: Average compute 0.004390 is 2.3% of average load 0.194973 LDB: TIME 3457.38 LOAD: AVG 0.194973 MAX 0.216278 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.363 MB LDB: TIME 3457.38 LOAD: AVG 0.194973 MAX 0.216278 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.367 MB LDB: TIME 3457.38 LOAD: AVG 0.194973 MAX 0.216278 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.367 MB LDB: ============== END OF LOAD BALANCING =============== 3457.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3457.39 PRESSURE: 1104400 227.595 -142.343 141.33 -142.344 113.086 41.6067 141.329 41.6064 178.821 GPRESSURE: 1104400 332.154 -192.076 213.363 -101.741 63.4485 -49.6277 59.9311 77.6061 216.081 PRESSAVG: 1104400 46.9926 -5.95853 23.4545 -5.95861 -24.5896 13.5982 23.4546 13.5982 0.0165605 GPRESSAVG: 1104400 46.0611 -7.47122 23.9189 -4.59841 -23.6087 13.0046 25.5805 12.7254 0.252237 TIMING: 1104400 CPU: 3445.22, 0.00320164/step Wall: 3445.22, 0.00320164/step, 3.46453 hours remaining, 234.488281 MB of memory in use. ENERGY: 1104400 4051.6735 20554.1507 14390.8001 228.2949 -203330.9265 2894.6543 0.0000 0.0000 52079.4115 -109131.9414 299.3011 -161211.3529 -108757.5098 299.4009 173.1673 203.8944 763575.0612 7.4732 7.5682 PRESSURE: 1104600 1.86839 175.226 35.2272 175.226 -393.792 114.919 35.2274 114.919 -332.372 GPRESSURE: 1104600 -17.649 53.9866 45.1171 132.545 -305.372 108.021 107.819 96.5677 -321.24 PRESSAVG: 1104600 58.743 44.7263 1.10345 44.7263 -5.76666 -29.0481 1.10346 -29.048 -4.55296 GPRESSAVG: 1104600 60.5242 45.0854 1.40892 43.6605 -7.12007 -28.064 -1.06642 -30.2382 -5.66172 TIMING: 1104600 CPU: 3445.85, 0.00313476/step Wall: 3445.85, 0.00313476/step, 3.39199 hours remaining, 234.488281 MB of memory in use. ENERGY: 1104600 4094.9994 20513.0945 14435.7121 220.0495 -203071.7660 2573.0807 0.0000 0.0000 52157.1660 -109077.6638 299.7479 -161234.8298 -108721.8852 299.3950 -241.4318 -214.7537 763218.8676 16.1411 15.9141 PRESSURE: 1104800 333.482 88.2676 -122.21 88.2675 49.8941 78.1463 -122.21 78.1461 -298.7 GPRESSURE: 1104800 328.234 133.059 -244.772 77.4485 41.4311 115.907 -98.5207 -28.4429 -225.713 PRESSAVG: 1104800 -0.460355 -15.9284 -71.3128 -15.9283 -2.03878 1.91728 -71.3129 1.91728 -11.0639 GPRESSAVG: 1104800 -1.8054 -14.7934 -72.2287 -16.5387 -1.23983 1.91561 -68.9936 1.31716 -10.7433 TIMING: 1104800 CPU: 3446.47, 0.00313319/step Wall: 3446.47, 0.0031332/step, 3.39012 hours remaining, 234.488281 MB of memory in use. ENERGY: 1104800 4071.3724 20477.5466 14458.9888 243.2404 -202707.6267 2272.6424 0.0000 0.0000 52052.4026 -109131.4336 299.1459 -161183.8362 -108778.1435 299.0504 28.2252 47.9841 762127.3526 -4.5210 -4.5962 PRESSURE: 1105000 -290.641 93.726 119.604 93.7267 -206.062 57.041 119.604 57.04 147.535 GPRESSURE: 1105000 -277.752 141.968 9.50809 -2.73841 -157.877 134.44 174.123 41.2215 164.694 PRESSAVG: 1105000 -61.5208 34.9458 -19.776 34.9459 48.1959 -12.3933 -19.7759 -12.3934 -14.087 GPRESSAVG: 1105000 -60.7425 32.555 -20.6352 35.3015 47.1216 -12.1638 -20.0265 -13.0073 -14.15 TIMING: 1105000 CPU: 3447.1, 0.00314318/step Wall: 3447.1, 0.00314318/step, 3.40074 hours remaining, 234.488281 MB of memory in use. ENERGY: 1105000 3929.5129 20547.7563 14373.6895 245.7645 -202507.0028 2222.1652 0.0000 0.0000 52037.8997 -109150.2147 299.0625 -161188.1144 -108778.3127 299.1116 -116.3896 -90.3120 763018.0532 -9.1373 -9.2570 PRESSURE: 1105200 -199.97 107.207 -193.38 107.207 23.1153 106.553 -193.381 106.554 99.3058 GPRESSURE: 1105200 -144.669 142.646 -183.606 19.5767 83.8938 127.026 -87.9629 176.231 66.0013 PRESSAVG: 1105200 -45.6682 68.9917 -94.4602 68.9917 20.2454 -1.52937 -94.4602 -1.52937 -4.8288 GPRESSAVG: 1105200 -46.2503 69.4389 -94.5622 69.7178 21.3235 -3.46282 -93.4164 1.11961 -5.75145 TIMING: 1105200 CPU: 3447.73, 0.00312438/step Wall: 3447.73, 0.00312438/step, 3.38023 hours remaining, 234.488281 MB of memory in use. ENERGY: 1105200 3977.6940 20450.2847 14427.1166 244.5640 -203214.5915 2770.7140 0.0000 0.0000 52136.4252 -109207.7931 299.6288 -161344.2182 -108842.2540 298.6187 -25.8496 1.7421 763584.3532 -10.0839 -10.2261 PRESSURE: 1105400 48.9896 -220.897 -115.485 -220.897 57.0999 -137.821 -115.485 -137.821 259.315 GPRESSURE: 1105400 64.6677 -131.776 -141.813 -237.419 88.0156 -29.0442 24.8511 -76.0696 277.958 PRESSAVG: 1105400 -47.9157 -5.59683 -34.9972 -5.59689 44.169 -42.4891 -34.9972 -42.489 -17.2974 GPRESSAVG: 1105400 -48.4781 -3.50324 -34.8979 -6.61097 42.9588 -41.9195 -35.1642 -41.7659 -15.4601 TIMING: 1105400 CPU: 3448.35, 0.00311902/step Wall: 3448.35, 0.00311902/step, 3.37425 hours remaining, 234.488281 MB of memory in use. ENERGY: 1105400 4018.4555 20593.4510 14403.5954 245.8823 -203031.0579 2713.1440 0.0000 0.0000 51929.7324 -109126.7974 298.4409 -161056.5298 -108760.7516 298.7748 121.8014 143.5471 764219.1468 -7.0147 -6.9931 PRESSURE: 1105600 -75.1424 -227.748 38.3267 -227.748 120.709 213.659 38.3257 213.658 -64.9083 GPRESSURE: 1105600 51.9909 -162.233 33.368 -98.6938 71.466 93.4035 85.3905 230.917 -38.164 PRESSAVG: 1105600 -5.44004 7.97244 6.98315 7.97245 -3.66519 -47.9615 6.98316 -47.9615 -1.97907 GPRESSAVG: 1105600 -5.36165 7.44193 5.83444 7.16441 -2.81896 -47.3097 6.66457 -50.8016 -2.62077 TIMING: 1105600 CPU: 3448.98, 0.00313451/step Wall: 3448.98, 0.00313451/step, 3.39085 hours remaining, 234.488281 MB of memory in use. ENERGY: 1105600 3926.6482 20558.1081 14389.8158 268.1454 -203173.9423 2775.0113 0.0000 0.0000 51895.7409 -109360.4726 298.2455 -161256.2135 -109000.2739 298.8389 -6.4473 28.4309 765685.3487 -3.6948 -3.6005 PRESSURE: 1105800 15.1162 -68.1857 -133.571 -68.1858 257.699 52.9856 -133.571 52.9858 -122.301 GPRESSURE: 1105800 -16.2273 -70.7419 -103.15 23.01 252.243 38.1117 -70.0839 189.28 8.22428 PRESSAVG: 1105800 10.6574 -8.11492 -26.5019 -8.11491 -13.2026 -66.253 -26.502 -66.253 -23.6049 GPRESSAVG: 1105800 11.0005 -10.645 -23.9995 -5.04038 -14.2427 -67.8933 -26.9189 -65.8729 -23.3459 TIMING: 1105800 CPU: 3449.6, 0.00311927/step Wall: 3449.6, 0.00311927/step, 3.37418 hours remaining, 234.488281 MB of memory in use. ENERGY: 1105800 3930.2791 20585.8203 14486.7628 248.7917 -203546.0356 2925.4573 0.0000 0.0000 52130.1151 -109238.8094 299.5925 -161368.9245 -108877.1901 299.0618 50.1714 81.4134 763431.9187 -8.7167 -8.8627 PRESSURE: 1106000 -331.952 -83.2188 245.76 -83.2188 -273.001 -146.149 245.76 -146.149 -19.047 GPRESSURE: 1106000 -255.785 -123.299 198.896 -78.6728 -203.172 -172.603 205.624 -177.285 -82.9267 PRESSAVG: 1106000 -37.5248 -2.06159 -28.6919 -2.06152 50.1613 40.0758 -28.6919 40.0759 -18.4309 GPRESSAVG: 1106000 -38.369 -1.526 -30.8627 -1.14901 51.2223 40.3461 -29.4593 40.2127 -19.0196 TIMING: 1106000 CPU: 3450.23, 0.00312841/step Wall: 3450.23, 0.00312841/step, 3.38389 hours remaining, 234.488281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1106000 4021.7447 20510.9869 14451.5963 238.7256 -202920.1509 2621.8196 0.0000 0.0000 51962.2805 -109112.9973 298.6279 -161075.2778 -108755.0756 299.1041 -208.0002 -180.6279 762941.1399 -1.9315 -2.0554 PRESSURE: 1106200 -378.605 -92.1308 -44.6769 -92.1315 -202.89 -233.863 -44.6772 -233.863 -189.108 GPRESSURE: 1106200 -283.945 -172.536 35.7448 -42.6068 -129.125 -294.419 -96.8626 -279.681 -281.219 PRESSAVG: 1106200 18.8136 39.1046 -27.8101 39.1046 -20.3168 -27.9728 -27.8101 -27.9728 -14.8849 GPRESSAVG: 1106200 18.3103 39.2513 -25.2628 36.3662 -19.3397 -26.7566 -30.2793 -28.8258 -15.0832 TIMING: 1106200 CPU: 3450.85, 0.00312089/step Wall: 3450.85, 0.00312089/step, 3.37559 hours remaining, 234.488281 MB of memory in use. ENERGY: 1106200 4029.8099 20452.3624 14439.5370 261.3008 -203124.4385 2633.1121 0.0000 0.0000 52058.0336 -109250.2827 299.1782 -161308.3163 -108888.4046 298.9196 -256.8676 -231.4295 762568.3894 -5.4627 -5.3709 PRESSURE: 1106400 73.9712 337.18 12.3245 337.181 -87.5316 -220.471 12.3244 -220.471 -37.0635 GPRESSURE: 1106400 81.6172 205.155 -67.246 344.385 56.267 -254.808 62.6193 -48.884 -91.903 PRESSAVG: 1106400 -14.0876 1.42708 7.47719 1.42705 -1.99799 36.241 7.47723 36.241 16.429 GPRESSAVG: 1106400 -13.0039 1.73357 8.04125 2.75533 -2.98309 35.9878 10.3429 38.0539 16.4093 TIMING: 1106400 CPU: 3451.48, 0.00313681/step Wall: 3451.48, 0.00313681/step, 3.39263 hours remaining, 234.488281 MB of memory in use. ENERGY: 1106400 4063.8119 20525.8781 14456.5261 229.3075 -203025.5218 2567.4571 0.0000 0.0000 52099.6225 -109082.9186 299.4172 -161182.5411 -108727.0692 299.6285 -16.8746 15.3271 762485.2543 0.1145 0.1408 PRESSURE: 1106600 -85.3647 120.187 -65.7119 120.188 250.875 -96.4122 -65.7113 -96.4129 137.647 GPRESSURE: 1106600 -43.5332 108.144 55.3639 39.1601 303.45 -108.599 37.2625 -245.629 137.062 PRESSAVG: 1106600 -32.6517 -10.0563 -2.53758 -10.0564 -11.7893 -4.81019 -2.53762 -4.81022 14.824 GPRESSAVG: 1106600 -32.8238 -10.0192 -4.87672 -11.4337 -12.0888 -4.92702 -0.732255 -4.24308 15.2066 TIMING: 1106600 CPU: 3452.1, 0.00312375/step Wall: 3452.1, 0.00312375/step, 3.37833 hours remaining, 234.488281 MB of memory in use. ENERGY: 1106600 4000.4521 20523.6966 14428.4063 255.7922 -203448.5188 3281.8012 0.0000 0.0000 52172.7660 -108785.6044 299.8376 -160958.3704 -108418.3434 300.0041 101.0526 132.3264 763853.3342 -9.8723 -9.9020 PRESSURE: 1106800 61.3787 -18.9982 115.167 -18.9984 -33.3801 -143.602 115.167 -143.602 44.0837 GPRESSURE: 1106800 119.773 42.9074 134.027 29.3173 -50.533 -191.585 63.1522 -148.409 79.8528 PRESSAVG: 1106800 10.1446 -8.15733 28.6539 -8.15732 -9.2309 -1.15598 28.6538 -1.15594 4.80416 GPRESSAVG: 1106800 10.1748 -7.73876 29.6421 -9.13653 -10.2236 -0.509548 27.4135 -3.36257 5.80697 TIMING: 1106800 CPU: 3452.73, 0.00314053/step Wall: 3452.73, 0.00314053/step, 3.39631 hours remaining, 234.488281 MB of memory in use. ENERGY: 1106800 4023.3474 20450.2803 14477.0752 254.9033 -203145.6611 2950.1604 0.0000 0.0000 51991.4185 -108998.4761 298.7954 -160989.8946 -108637.9288 299.7744 24.0274 49.6975 763498.8598 1.9060 1.9194 PRESSURE: 1107000 143.61 -77.721 176.064 -77.7199 -292.359 -64.7942 176.065 -64.7928 -107.18 GPRESSURE: 1107000 181.112 -49.5258 202.484 -26.4015 -237.75 -35.8878 234.537 19.9982 -101.498 PRESSAVG: 1107000 3.84638 -18.726 10.2217 -18.726 -7.13978 16.2412 10.2217 16.2412 -16.9421 GPRESSAVG: 1107000 3.97087 -19.3919 10.862 -16.4199 -6.54563 17.6344 9.30142 17.239 -17.4368 TIMING: 1107000 CPU: 3453.36, 0.00312555/step Wall: 3453.36, 0.00312555/step, 3.37994 hours remaining, 234.488281 MB of memory in use. ENERGY: 1107000 3963.6421 20479.0010 14507.6003 261.9294 -203074.2445 2734.7370 0.0000 0.0000 52502.0223 -108625.3124 301.7298 -161127.3347 -108253.1531 299.9278 -85.3099 -52.7120 762621.5052 -6.7452 -6.6705 PRESSURE: 1107200 -64.7742 3.74716 204.897 3.74589 -245.942 -252.205 204.898 -252.207 -57.9705 GPRESSURE: 1107200 15.6576 -21.8995 146.514 7.09001 -243.909 -239.838 27.43 -155.255 -62.5771 PRESSAVG: 1107200 5.96945 -54.7302 19.845 -54.7301 -1.03495 -60.8989 19.8451 -60.8989 12.9366 GPRESSAVG: 1107200 4.96259 -52.4863 18.9929 -55.997 0.580736 -62.2799 19.9645 -61.083 12.0338 TIMING: 1107200 CPU: 3453.98, 0.0031146/step Wall: 3453.98, 0.0031146/step, 3.36792 hours remaining, 234.488281 MB of memory in use. ENERGY: 1107200 4022.6648 20531.5676 14520.8535 238.9184 -202768.5926 2685.3040 0.0000 0.0000 52238.5069 -108530.7773 300.2154 -160769.2842 -108169.0996 300.3964 -122.8956 -96.9428 763546.9354 5.9570 5.8590 PRESSURE: 1107400 14.6754 -67.9322 -48.9564 -67.9324 -18.1745 23.0389 -48.9566 23.0391 -19.08 GPRESSURE: 1107400 58.0067 -96.0324 48.4175 -101.19 -11.6807 132.832 10.1389 38.8288 20.9267 PRESSAVG: 1107400 -8.40679 33.9048 31.5378 33.9048 -12.3791 -48.8805 31.5378 -48.8807 -16.5959 GPRESSAVG: 1107400 -8.161 32.9551 31.4134 33.7953 -12.6469 -47.1149 33.7048 -47.7064 -16.3643 TIMING: 1107400 CPU: 3454.6, 0.00311353/step Wall: 3454.6, 0.00311353/step, 3.36659 hours remaining, 234.488281 MB of memory in use. ENERGY: 1107400 3941.9572 20631.5103 14498.7554 252.1811 -203448.2296 2950.5540 0.0000 0.0000 52501.1969 -108672.0748 301.7251 -161173.2717 -108303.6755 300.4729 -7.5264 22.4176 762804.0177 -12.4606 -12.3907 PRESSURE: 1107600 16.1147 -22.4654 -43.8176 -22.4644 -223.083 244.358 -43.8182 244.357 -599.315 GPRESSURE: 1107600 28.8801 53.9049 56.3581 36.5388 -257.115 207.742 -118.728 314.757 -488.271 PRESSAVG: 1107600 52.2611 -10.2856 -34.9063 -10.2855 -112.611 19.316 -34.9063 19.3159 -11.4955 GPRESSAVG: 1107600 53.1856 -10.4918 -34.4815 -9.79363 -113.55 16.8771 -36.2253 20.8603 -11.387 TIMING: 1107600 CPU: 3455.23, 0.00311131/step Wall: 3455.23, 0.00311131/step, 3.36401 hours remaining, 234.488281 MB of memory in use. ENERGY: 1107600 4110.0490 20550.8596 14461.6023 253.7434 -202870.3287 2852.7265 0.0000 0.0000 51927.5234 -108713.8246 298.4282 -160641.3480 -108362.8661 300.1565 -268.7611 -238.8355 764914.9671 -23.9486 -23.9173 PRESSURE: 1107800 264.939 -157.557 -123.374 -157.558 -15.5429 71.2323 -123.373 71.2321 167.726 GPRESSURE: 1107800 329.384 -130.013 -136.335 -168.245 31.412 42.6854 -176.665 85.5228 134.316 PRESSAVG: 1107800 33.4619 -50.4748 -4.87362 -50.4748 -19.7459 2.82904 -4.87368 2.82898 -2.01377 GPRESSAVG: 1107800 33.6667 -48.3836 -4.46367 -51.9525 -19.8324 2.05999 -5.11705 0.183026 -1.8645 TIMING: 1107800 CPU: 3455.85, 0.00312742/step Wall: 3455.85, 0.00312742/step, 3.38126 hours remaining, 234.488281 MB of memory in use. ENERGY: 1107800 4015.1685 20502.7609 14438.9671 255.2457 -203289.1514 3006.3049 0.0000 0.0000 52263.5582 -108807.1461 300.3594 -161070.7043 -108437.9473 299.8462 139.0407 165.0375 762154.0791 3.9008 3.9899 PRESSURE: 1108000 237.292 121.801 -55.0055 121.802 25.8369 -119.616 -55.0048 -119.616 110.457 GPRESSURE: 1108000 161.095 13.4836 -44.2231 141.65 111.839 -63.6633 -14.7669 -244.096 172.2 PRESSAVG: 1108000 22.3761 -36.9362 -48.3025 -36.9362 -34.9821 30.0348 -48.3025 30.0348 -4.15034 GPRESSAVG: 1108000 20.8367 -39.5064 -48.4663 -36.2845 -33.5763 31.2696 -47.743 29.0711 -4.19917 TIMING: 1108000 CPU: 3456.48, 0.00313763/step Wall: 3456.48, 0.00313763/step, 3.39212 hours remaining, 234.488281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1108000 3983.0633 20594.7949 14410.6473 242.3486 -202888.9683 2754.4436 0.0000 0.0000 52185.4323 -108718.2383 299.9104 -160903.6706 -108359.5307 299.7420 124.5285 148.3782 761288.5118 -5.5855 -5.6463 PRESSURE: 1108200 138.053 -2.5656 -75.1928 -2.56579 48.0181 -95.3702 -75.1935 -95.3702 94.3858 GPRESSURE: 1108200 125.242 78.6029 -119.413 -73.3578 99.7082 -28.9542 -232.76 -120.395 115.441 PRESSAVG: 1108200 47.1358 -3.20255 4.97907 -3.20262 -55.7919 10.0213 4.97906 10.0214 19.0694 GPRESSAVG: 1108200 48.4394 -0.609129 4.94866 -3.45176 -56.2448 10.2764 3.88626 9.56829 18.1093 TIMING: 1108200 CPU: 3457.1, 0.00312102/step Wall: 3457.1, 0.00312102/step, 3.374 hours remaining, 234.488281 MB of memory in use. ENERGY: 1108200 3966.1761 20516.8046 14435.8955 258.0325 -202847.8938 2682.0272 0.0000 0.0000 52067.3060 -108921.6519 299.2315 -160988.9580 -108553.1395 299.8340 93.4857 113.4638 763255.5992 3.4711 3.4346 LDB: ============= START OF LOAD BALANCING ============== 3469.58 LDB: ============== END OF LOAD BALANCING =============== 3469.58 LDB: =============== DONE WITH MIGRATION ================ 3469.58 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 3469.89 LDB: Largest compute 7021 load 0.033368 is 17.1% of average load 0.195036 LDB: Average compute 0.004401 is 2.3% of average load 0.195036 LDB: TIME 3469.9 LOAD: AVG 0.195036 MAX 0.212962 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.238 MB LDB: TIME 3469.9 LOAD: AVG 0.195036 MAX 0.212962 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.238 MB LDB: TIME 3469.9 LOAD: AVG 0.195036 MAX 0.212962 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.238 MB LDB: ============== END OF LOAD BALANCING =============== 3469.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3469.9 PRESSURE: 1108400 129.134 233.042 110.791 233.041 99.3571 -68.0221 110.791 -68.0217 18.2017 GPRESSURE: 1108400 124.037 191.16 99.9139 201.99 166.764 -31.238 -57.1176 -156.764 39.8898 PRESSAVG: 1108400 43.7683 2.78721 28.1224 2.78719 -20.6756 -22.2932 28.1224 -22.2931 28.2228 GPRESSAVG: 1108400 43.0503 1.06861 28.1652 2.83039 -21.7503 -23.1203 25.2605 -20.2483 29.7211 TIMING: 1108400 CPU: 3457.74, 0.00317873/step Wall: 3457.74, 0.00317873/step, 3.43621 hours remaining, 233.726562 MB of memory in use. ENERGY: 1108400 3974.6594 20500.6499 14381.6407 263.6295 -202948.7129 2693.0900 0.0000 0.0000 52283.7301 -108851.3133 300.4753 -161135.0434 -108498.1849 299.6739 82.2311 110.2302 761342.0384 17.1052 17.0070 PRESSURE: 1108600 -69.3561 -72.9518 120.16 -72.9518 -433.17 -8.86206 120.16 -8.86229 -527.966 GPRESSURE: 1108600 10.5368 -102.637 66.2384 54.1157 -428.343 -24.689 246.444 -16.9922 -520.653 PRESSAVG: 1108600 -44.2227 -26.096 2.96847 -26.096 28.8107 -22.2631 2.9685 -22.2631 -2.03713 GPRESSAVG: 1108600 -44.9238 -26.7121 2.79923 -25.2169 29.3775 -21.6164 6.00416 -22.6103 -2.3423 TIMING: 1108600 CPU: 3458.36, 0.00312582/step Wall: 3458.36, 0.00312582/step, 3.37884 hours remaining, 233.726562 MB of memory in use. ENERGY: 1108600 4010.6521 20627.4332 14483.3463 238.0437 -202519.8194 2410.3909 0.0000 0.0000 52006.3533 -108743.6000 298.8812 -160749.9532 -108382.9457 300.0900 -343.4975 -312.8195 761937.0157 -5.8164 -5.9629 PRESSURE: 1108800 150.808 2.77467 117.06 2.77491 -545.881 -166.713 117.06 -166.714 -298.407 GPRESSURE: 1108800 121.493 22.9254 108.315 -100.825 -433.327 -127.522 111.329 -154.213 -302.489 PRESSAVG: 1108800 15.6382 25.485 8.74171 25.485 -28.7908 1.82928 8.74171 1.82927 -1.58882 GPRESSAVG: 1108800 16.4738 26.5971 8.47842 27.9514 -29.1556 2.01594 8.10425 1.27541 -2.2934 TIMING: 1108800 CPU: 3458.99, 0.00312665/step Wall: 3458.99, 0.00312665/step, 3.37957 hours remaining, 233.726562 MB of memory in use. ENERGY: 1108800 3995.3045 20564.3028 14437.2143 227.5954 -202551.8255 2444.4860 0.0000 0.0000 52129.3569 -108753.5656 299.5881 -160882.9226 -108395.3503 299.3507 -231.1602 -204.7743 763379.7906 -4.9138 -4.9917 PRESSURE: 1109000 142.896 78.4698 -110.221 78.4697 -102.07 157.181 -110.22 157.183 142.766 GPRESSURE: 1109000 162.552 14.2285 -83.1071 121.533 -46.5416 45.4488 -97.9068 119.885 147.809 PRESSAVG: 1109000 48.4835 9.94906 26.5224 9.94904 0.64677 -26.8031 26.5223 -26.8032 7.98054 GPRESSAVG: 1109000 48.2859 10.2515 26.899 6.05402 0.909299 -28.1413 27.0334 -25.8712 7.51377 TIMING: 1109000 CPU: 3459.61, 0.00310909/step Wall: 3459.61, 0.00310909/step, 3.36041 hours remaining, 233.726562 MB of memory in use. ENERGY: 1109000 3899.8042 20735.5194 14412.6826 249.7380 -203039.9073 2828.4759 0.0000 0.0000 52139.9693 -108773.7179 299.6491 -160913.6872 -108408.0706 300.1432 61.1971 87.9398 761865.9906 19.0369 18.9030 PRESSURE: 1109200 -76.5281 8.49925 -84.0863 8.49907 456.702 -68.165 -84.0863 -68.1648 213.234 GPRESSURE: 1109200 -14.3092 -2.52037 -184.18 -5.37451 394.176 -112.204 30.2866 -2.23484 278.74 PRESSAVG: 1109200 14.2138 -50.3877 26.5443 -50.3876 30.8241 -11.5008 26.5442 -11.5008 0.625643 GPRESSAVG: 1109200 13.993 -52.5407 27.8256 -48.427 29.8814 -10.8622 28.2412 -12.9265 1.95158 TIMING: 1109200 CPU: 3460.24, 0.00311983/step Wall: 3460.24, 0.00311983/step, 3.37184 hours remaining, 233.726562 MB of memory in use. ENERGY: 1109200 3973.8232 20543.5518 14461.2301 240.3803 -202870.2092 2816.2674 0.0000 0.0000 51981.8113 -108853.1451 298.7402 -160834.9564 -108491.7099 299.7643 197.8026 219.5358 761937.8842 15.2212 15.2753 PRESSURE: 1109400 50.2108 -119.621 -43.6712 -119.62 -158.576 -40.4596 -43.6716 -40.4601 -169.13 GPRESSURE: 1109400 69.6609 -128.113 -10.4172 -217.647 -175.785 26.3861 -5.62013 -83.2428 -86.3118 PRESSAVG: 1109400 23.0933 -8.25237 3.57957 -8.25246 -11.1366 -16.7967 3.57967 -16.7967 16.3782 GPRESSAVG: 1109400 24.6986 -7.32599 3.55118 -9.02394 -11.8063 -15.6271 2.61986 -16.3342 15.741 TIMING: 1109400 CPU: 3460.86, 0.00312876/step Wall: 3460.86, 0.00312876/step, 3.38132 hours remaining, 233.726562 MB of memory in use. ENERGY: 1109400 4024.6987 20588.9930 14508.0374 257.7857 -202860.6064 2632.4527 0.0000 0.0000 52022.5200 -108826.1189 298.9741 -160848.6389 -108459.6759 299.6700 -92.4985 -64.1454 763041.6931 9.4449 9.5444 PRESSURE: 1109600 -54.2335 -45.2029 -96.3317 -45.2029 49.8493 -131.782 -96.3316 -131.781 -31.0146 GPRESSURE: 1109600 -141.265 -40.3213 -131.593 -20.8581 157.389 -219.357 -49.5025 110.636 25.1239 PRESSAVG: 1109600 -25.7937 -20.1961 36.404 -20.1961 29.9926 3.76363 36.404 3.7637 8.55621 GPRESSAVG: 1109600 -26.8526 -19.8384 34.8326 -20.5056 30.2965 3.72982 37.0313 5.00239 9.24589 TIMING: 1109600 CPU: 3461.49, 0.00313802/step Wall: 3461.49, 0.00313802/step, 3.39115 hours remaining, 233.726562 MB of memory in use. ENERGY: 1109600 4029.4790 20556.3560 14503.7633 247.2202 -202779.9845 2542.0929 0.0000 0.0000 52023.3840 -108877.6892 298.9791 -160901.0731 -108528.7430 300.0152 -11.7996 13.7492 762832.5939 4.2517 4.2299 PRESSURE: 1109800 -122.544 2.01692 123.794 2.01642 -289.253 113.288 123.795 113.288 -38.2241 GPRESSURE: 1109800 -98.3152 -28.0899 97.8665 113.095 -291.532 77.4023 103.944 124.447 12.6726 PRESSAVG: 1109800 -25.9962 12.182 -38.376 12.182 -6.84323 12.048 -38.376 12.0479 13.0616 GPRESSAVG: 1109800 -25.6583 11.5034 -38.6487 13.3917 -6.9768 10.609 -39.3539 12.3775 12.073 TIMING: 1109800 CPU: 3462.12, 0.00313462/step Wall: 3462.12, 0.00313462/step, 3.38731 hours remaining, 233.726562 MB of memory in use. ENERGY: 1109800 4117.8731 20515.9563 14509.8419 232.7709 -202445.2652 2400.9687 0.0000 0.0000 51870.0020 -108797.8523 298.0976 -160667.8543 -108440.1668 300.0877 -150.0073 -125.7248 762616.6393 -6.5926 -6.8540 PRESSURE: 1110000 -313.814 -75.6191 -57.4659 -75.6185 -271.433 425.576 -57.4662 425.576 -203.867 GPRESSURE: 1110000 -152.422 -98.989 -84.4808 -48.6126 -319.842 455.011 57.7348 451.494 -245.521 PRESSAVG: 1110000 -13.2049 0.428824 7.92468 0.428823 8.95646 -34.5485 7.92461 -34.5485 22.6517 GPRESSAVG: 1110000 -15.0191 2.12566 9.53753 -0.202773 9.41827 -33.249 8.43092 -35.2322 23.7384 TIMING: 1110000 CPU: 3462.74, 0.00312289/step Wall: 3462.74, 0.00312289/step, 3.37446 hours remaining, 233.726562 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: 1110000 4010.3914 20613.1222 14470.2839 253.8326 -202864.1595 2697.2984 0.0000 0.0000 52123.8709 -108695.3602 299.5566 -160819.2311 -108342.4835 299.8163 -263.0381 -239.2614 764292.5891 6.1344 6.0459 PRESSURE: 1110200 188.15 -125.137 -16.779 -125.138 432.929 -158.972 -16.7789 -158.972 297.232 GPRESSURE: 1110200 369.512 -17.4107 -55.6498 -16.6814 375.571 -132.31 -102.057 -149.944 276.477 PRESSAVG: 1110200 -4.04927 47.246 64.3362 47.2459 10.9823 -56.6102 64.3362 -56.6102 15.1065 GPRESSAVG: 1110200 -2.45962 46.0842 64.3742 47.081 9.70266 -56.6038 62.8486 -57.9547 14.4765 TIMING: 1110200 CPU: 3463.36, 0.00311745/step Wall: 3463.36, 0.00311745/step, 3.3684 hours remaining, 233.726562 MB of memory in use. ENERGY: 1110200 3979.9922 20531.8372 14402.7187 259.7644 -202996.8653 3021.1561 0.0000 0.0000 52181.5029 -108619.8939 299.8878 -160801.3967 -108259.2119 299.7606 306.1035 340.5200 762418.5619 7.3465 7.2399 PRESSURE: 1110400 -290.571 -84.2706 -51.129 -84.2712 100.66 -121.441 -51.1292 -121.44 221.784 GPRESSURE: 1110400 -279.653 47.6039 72.0909 -33.3837 242.577 -33.835 104.102 -103.683 144.12 PRESSAVG: 1110400 8.90189 17.724 -27.4046 17.724 -4.24753 -24.0828 -27.4046 -24.0828 -9.51188 GPRESSAVG: 1110400 7.56767 18.63 -29.2437 15.9875 -2.8711 -25.5267 -23.2656 -24.8928 -9.18473 TIMING: 1110400 CPU: 3463.99, 0.00313003/step Wall: 3463.99, 0.00313003/step, 3.38182 hours remaining, 233.726562 MB of memory in use. ENERGY: 1110400 3922.0736 20490.4382 14470.5835 250.9116 -202827.8493 2748.9499 0.0000 0.0000 52042.4091 -108902.4835 299.0884 -160944.8925 -108537.5364 300.0811 10.6242 35.6815 761843.9416 -1.6192 -1.4961 PRESSURE: 1110600 8.93242 -78.7388 30.8352 -78.7397 71.4179 224.08 30.8358 224.08 -12.5877 GPRESSURE: 1110600 37.4408 -118.07 -22.5549 20.7584 81.4463 128.454 -46.0901 285.792 24.7019 PRESSAVG: 1110600 -36.9059 59.9975 -24.5224 59.9975 30.6718 -49.106 -24.5224 -49.106 25.4346 GPRESSAVG: 1110600 -35.4123 58.2002 -23.5995 63.6413 28.4982 -48.4477 -24.6789 -49.4782 25.6181 TIMING: 1110600 CPU: 3464.62, 0.00312825/step Wall: 3464.62, 0.00312826/step, 3.37973 hours remaining, 233.726562 MB of memory in use. ENERGY: 1110600 4024.6329 20531.9094 14440.9446 250.3388 -202669.4289 2572.0071 0.0000 0.0000 51901.2662 -108948.3301 298.2773 -160849.5962 -108584.8625 299.6206 22.5875 47.8630 763156.6918 6.4001 6.2347 PRESSURE: 1110800 117.185 -65.366 71.4401 -65.3666 365.688 -191.041 71.4408 -191.04 -147.258 GPRESSURE: 1110800 149.484 -113.516 110.028 -80.9471 285.609 -186.829 -13.3354 -183.959 -29.7443 PRESSAVG: 1110800 -56.7362 -14.2248 4.08634 -14.2247 65.0252 41.3985 4.08625 41.3986 -9.20428 GPRESSAVG: 1110800 -56.8348 -13.8383 5.11641 -15.9734 65.8056 41.6966 1.47351 42.9489 -9.82825 TIMING: 1110800 CPU: 3465.24, 0.0031315/step Wall: 3465.24, 0.00313149/step, 3.38306 hours remaining, 233.726562 MB of memory in use. ENERGY: 1110800 3996.4154 20425.7712 14438.2691 269.1726 -203327.7177 2956.3081 0.0000 0.0000 52200.2915 -109041.4897 299.9958 -161241.7812 -108669.0167 299.1701 111.8714 135.1162 761953.1910 -0.3051 -0.2858 PRESSURE: 1111000 184.253 275.314 15.2408 275.313 153.961 23.2454 15.2405 23.2457 177.371 GPRESSURE: 1111000 198.311 286.067 0.507594 265.874 247.209 40.6891 129.045 -141.237 149.324 PRESSAVG: 1111000 -31.0839 43.746 -23.8349 43.7459 11.5162 2.73595 -23.835 2.736 3.76091 GPRESSAVG: 1111000 -31.981 46.2871 -24.754 42.1744 13.2694 2.08107 -24.1384 0.572595 3.35115 TIMING: 1111000 CPU: 3465.87, 0.00312342/step Wall: 3465.87, 0.00312342/step, 3.37416 hours remaining, 233.726562 MB of memory in use. ENERGY: 1111000 3873.4740 20504.6013 14430.4018 249.2098 -203462.6346 2962.5047 0.0000 0.0000 52134.0784 -109308.3646 299.6153 -161442.4431 -108937.8949 298.8339 171.8618 198.2812 762640.6104 -5.2689 -5.1202 PRESSURE: 1111200 -88.8495 26.9522 -269.442 26.9524 -124.485 23.6748 -269.442 23.6751 -288.236 GPRESSURE: 1111200 -56.9003 100.648 -283.433 64.3896 -83.1016 69.7343 -255.321 46.9951 -268.165 PRESSAVG: 1111200 33.2646 57.023 -37.4571 57.0231 -23.7558 5.55918 -37.4572 5.55908 -5.69097 GPRESSAVG: 1111200 32.9162 54.8989 -37.7291 57.1231 -23.926 6.24588 -35.685 6.32839 -4.46883 TIMING: 1111200 CPU: 3466.49, 0.00312286/step Wall: 3466.49, 0.00312286/step, 3.37338 hours remaining, 233.726562 MB of memory in use. ENERGY: 1111200 3984.1765 20564.3213 14514.5893 233.0165 -203053.7941 2790.9977 0.0000 0.0000 51764.8068 -109201.8859 297.4931 -160966.6927 -108836.7273 298.8103 -167.1901 -136.0555 761767.7362 1.2726 1.5071 PRESSURE: 1111400 -124.705 408.337 -50.5518 408.338 42.8887 -139.736 -50.5519 -139.736 302.826 GPRESSURE: 1111400 -11.7476 366.373 -91.9518 219.922 9.91226 -68.0133 -2.62866 -16.9834 312.597 PRESSAVG: 1111400 56.2796 2.06954 -0.346015 2.06957 -10.6254 25.0061 -0.346005 25.006 13.839 GPRESSAVG: 1111400 57.2451 3.91543 1.05981 0.279199 -10.7048 25.0204 -2.1443 25.3093 13.3662 TIMING: 1111400 CPU: 3467.12, 0.00312857/step Wall: 3467.12, 0.00312857/step, 3.37938 hours remaining, 233.726562 MB of memory in use. ENERGY: 1111400 3995.4760 20476.3021 14448.7678 269.2339 -203228.7290 2754.7254 0.0000 0.0000 52168.1766 -109116.0473 299.8112 -161284.2239 -108756.8895 298.6349 73.6698 103.5873 760964.1666 19.8311 19.9688 PRESSURE: 1111600 -325.978 340.086 -49.9401 340.086 -129.655 150.733 -49.9407 150.734 -378.976 GPRESSURE: 1111600 -295.831 303.993 -10.0263 305.086 -131.557 171.964 -131.084 147.558 -338.737 PRESSAVG: 1111600 29.1541 40.6639 -65.4258 40.6639 23.0979 23.2642 -65.4258 23.2642 -13.3342 GPRESSAVG: 1111600 29.312 39.0932 -65.1585 42.9947 22.6154 22.6602 -64.754 25.5729 -13.482 TIMING: 1111600 CPU: 3467.74, 0.00312859/step Wall: 3467.74, 0.00312859/step, 3.37923 hours remaining, 233.726562 MB of memory in use. ENERGY: 1111600 3870.9535 20617.0951 14495.3935 238.1136 -202526.3536 2301.6393 0.0000 0.0000 51667.7848 -109335.3738 296.9355 -161003.1586 -108966.3866 298.4181 -278.2027 -255.3750 763536.5893 12.9726 12.8151 PRESSURE: 1111800 119.892 -261.474 -98.5065 -261.474 238.654 93.2176 -98.5065 93.2183 -13.5813 GPRESSURE: 1111800 98.3048 -281.766 -124.238 -194.695 305.407 138.886 -213.277 150.732 14.9723 PRESSAVG: 1111800 46.2701 25.4408 -17.2035 25.4409 -15.0583 28.3389 -17.2035 28.339 -13.8775 GPRESSAVG: 1111800 46.5124 26.7967 -17.9655 24.4137 -14.184 30.4754 -17.6658 26.784 -14.9898 TIMING: 1111800 CPU: 3468.37, 0.00311776/step Wall: 3468.37, 0.00311776/step, 3.36735 hours remaining, 233.726562 MB of memory in use. ENERGY: 1111800 3940.4036 20590.9185 14403.0799 243.8667 -203036.0822 2610.8293 0.0000 0.0000 51935.8768 -109311.1074 298.4762 -161246.9842 -108947.1529 298.2489 114.9884 139.5612 761298.8656 5.7781 5.7796 PRESSURE: 1112000 -257.124 268.307 234.773 268.307 -122.013 118.913 234.772 118.912 -29.2162 GPRESSURE: 1112000 -204.703 374.089 160.926 193.262 -163.852 17.1914 174.154 155.823 43.9672 PRESSAVG: 1112000 13.0822 11.7281 -27.3175 11.7281 -8.56449 -27.132 -27.3175 -27.132 -9.93114 GPRESSAVG: 1112000 12.7958 10.2976 -27.4457 10.6467 -8.61503 -28.6969 -27.0281 -26.9666 -9.77666 TIMING: 1112000 CPU: 3468.99, 0.00312302/step Wall: 3468.99, 0.00312302/step, 3.37286 hours remaining, 233.726562 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: 1112000 3924.8842 20521.2404 14422.5061 229.4325 -202939.5588 2417.8843 0.0000 0.0000 52205.5612 -109218.0500 300.0261 -161423.6111 -108846.2050 298.3967 -136.1176 -108.1959 763499.6115 -1.8045 -1.8653 PRESSURE: 1112200 -52.7669 24.6717 136.304 24.672 170.018 64.3659 136.304 64.367 -348.108 GPRESSURE: 1112200 -17.6935 -36.0891 162.29 9.52334 145.965 147.682 121.075 154.865 -277.93 PRESSAVG: 1112200 -2.12124 45.3638 -21.7106 45.3638 -11.5107 -30.8673 -21.7106 -30.8673 -25.5069 GPRESSAVG: 1112200 -1.4954 44.7117 -21.5071 45.7929 -12.3241 -28.785 -22.4187 -30.5929 -25.75 TIMING: 1112200 CPU: 3469.62, 0.0031243/step Wall: 3469.62, 0.0031243/step, 3.37407 hours remaining, 233.726562 MB of memory in use. ENERGY: 1112200 3946.4446 20581.9990 14403.7708 257.0743 -203198.1377 2983.6601 0.0000 0.0000 51712.9540 -109312.2350 297.1951 -161025.1890 -108954.4529 298.9657 -76.9522 -49.8864 766281.4324 -13.0463 -13.1898 LDB: ============= START OF LOAD BALANCING ============== 3482.1 LDB: ============== END OF LOAD BALANCING =============== 3482.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3482.1 LDB: ============= START OF LOAD BALANCING ============== 3482.41 LDB: Largest compute 7007 load 0.030472 is 15.6% of average load 0.194887 LDB: Average compute 0.004402 is 2.3% of average load 0.194887 LDB: TIME 3482.41 LOAD: AVG 0.194887 MAX 0.21555 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.754 MB LDB: TIME 3482.41 LOAD: AVG 0.194887 MAX 0.21555 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.961 MB LDB: TIME 3482.41 LOAD: AVG 0.194887 MAX 0.21555 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.961 MB LDB: ============== END OF LOAD BALANCING =============== 3482.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3482.42 PRESSURE: 1112400 -44.3808 6.50286 145.489 6.50293 -138.918 -298.472 145.489 -298.472 -395.452 GPRESSURE: 1112400 0.986015 -25.7187 67.3291 -2.08765 -123.505 -261.494 16.6065 -357.348 -375.544 PRESSAVG: 1112400 -3.26159 12.0729 8.07309 12.0729 -19.9404 -50.7911 8.07308 -50.7912 -2.60293 GPRESSAVG: 1112400 -3.19673 13.2522 8.46397 15.0572 -20.1511 -52.7453 9.3459 -51.3424 -2.64785 TIMING: 1112400 CPU: 3470.26, 0.00320214/step Wall: 3470.26, 0.00320214/step, 3.45795 hours remaining, 233.539062 MB of memory in use. ENERGY: 1112400 3981.7813 20649.7648 14451.1217 262.0274 -203110.1690 2552.4008 0.0000 0.0000 51811.6417 -109401.4312 297.7622 -161213.0729 -109042.7954 298.3362 -192.9172 -166.0211 763362.0657 -8.6016 -8.6652 PRESSURE: 1112600 -25.9508 287.783 141.909 287.783 -288.787 -60.0659 141.909 -60.0642 -67.5353 GPRESSURE: 1112600 -21.5792 370.638 188.892 234.072 -195.705 -53.5994 85.3959 -205.913 -84.3043 PRESSAVG: 1112600 23.4163 37.4265 58.6578 37.4266 -5.17569 -16.8802 58.6577 -16.8801 9.20159 GPRESSAVG: 1112600 21.4434 38.3713 59.1469 35.8002 -4.16324 -15.8017 58.2181 -17.1614 9.17272 TIMING: 1112600 CPU: 3470.88, 0.00310808/step Wall: 3470.88, 0.00310808/step, 3.35621 hours remaining, 233.742188 MB of memory in use. ENERGY: 1112600 3993.5989 20531.0497 14380.7733 266.5498 -203254.4549 2452.6308 0.0000 0.0000 52267.2875 -109362.5649 300.3808 -161629.8524 -109006.5195 298.6188 -127.4244 -100.5296 762554.5761 9.1474 8.8176 PRESSURE: 1112800 -80.7193 62.726 -185.255 62.7263 -239.495 -29.8836 -185.256 -29.8837 -454.45 GPRESSURE: 1112800 -69.9588 70.3338 -242.202 75.9239 -220.41 8.68418 -101.215 -25.7822 -405.789 PRESSAVG: 1112800 22.2527 -6.69126 -0.810649 -6.69129 22.892 -9.53597 -0.810655 -9.53596 -8.29328 GPRESSAVG: 1112800 22.356 -8.00127 -1.42454 -6.75239 23.0837 -9.2335 -0.193868 -8.4015 -7.86305 TIMING: 1112800 CPU: 3471.5, 0.00311256/step Wall: 3471.5, 0.00311256/step, 3.36088 hours remaining, 233.742188 MB of memory in use. ENERGY: 1112800 4074.0046 20448.0188 14450.5572 241.5755 -203184.3113 2726.6586 0.0000 0.0000 51993.8041 -109249.6925 298.8091 -161243.4967 -108889.3441 298.8243 -258.2216 -232.0526 764303.3712 12.2838 12.5256 PRESSURE: 1113000 -41.8688 -81.2037 -192.176 -81.2027 -154.278 262.246 -192.176 262.246 -281.587 GPRESSURE: 1113000 -60.2263 1.45083 -137.211 16.386 -72.3157 239.764 -183.752 124.21 -255.033 PRESSAVG: 1113000 22.3109 -7.33734 46.6801 -7.33734 -65.0469 -1.22905 46.6801 -1.22899 10.7012 GPRESSAVG: 1113000 21.6569 -7.2979 46.686 -6.44324 -64.6497 -2.89941 49.1034 -0.187826 10.6336 TIMING: 1113000 CPU: 3472.12, 0.00311028/step Wall: 3472.12, 0.00311028/step, 3.35823 hours remaining, 233.742188 MB of memory in use. ENERGY: 1113000 4030.0755 20485.5736 14442.9474 246.7450 -203018.3410 2680.1095 0.0000 0.0000 51825.3155 -109307.5745 297.8408 -161132.8900 -108946.1702 298.7449 -159.2447 -129.1916 763349.6999 -10.6783 -10.7864 PRESSURE: 1113200 -123.333 -26.6993 448.141 -26.6991 -250.196 -90.288 448.141 -90.2882 -225.433 GPRESSURE: 1113200 -53.9295 1.9531 391.156 12.7728 -167.143 -104.387 239.665 -202.396 -301.569 PRESSAVG: 1113200 9.5387 -7.96622 43.7873 -7.9662 20.2184 -40.4199 43.7872 -40.4197 6.79201 GPRESSAVG: 1113200 9.09119 -8.24493 43.3929 -8.23834 20.514 -39.5523 42.0244 -42.919 7.18708 TIMING: 1113200 CPU: 3472.74, 0.00311276/step Wall: 3472.74, 0.00311276/step, 3.36074 hours remaining, 233.742188 MB of memory in use. ENERGY: 1113200 4008.5713 20405.1283 14508.8953 245.1425 -203148.0306 2642.7580 0.0000 0.0000 52013.5554 -109323.9799 298.9226 -161337.5353 -108965.7542 298.3975 -199.6540 -174.2138 762494.1912 12.1830 12.2641 PRESSURE: 1113400 -359.628 125.256 60.4769 125.256 -297.968 30.3162 60.4764 30.3165 -6.29124 GPRESSURE: 1113400 -344.416 -74.3126 78.9732 171.914 -318.167 30.4726 18.2785 61.5111 74.9179 PRESSAVG: 1113400 49.8104 -21.5019 -31.9865 -21.502 -55.2452 10.1715 -31.9864 10.1714 -10.3624 GPRESSAVG: 1113400 49.2253 -22.5385 -31.2116 -20.7045 -56.0325 8.04495 -32.2946 11.6299 -9.38317 TIMING: 1113400 CPU: 3473.37, 0.00312312/step Wall: 3473.37, 0.00312312/step, 3.37175 hours remaining, 233.742188 MB of memory in use. ENERGY: 1113400 3980.8898 20408.4271 14467.6563 264.3969 -202925.2918 2498.4334 0.0000 0.0000 51819.8824 -109485.6060 297.8096 -161305.4884 -109129.2623 298.5702 -221.2957 -195.8885 763864.8715 -5.2657 -5.3968 PRESSURE: 1113600 -139.363 -16.8815 -54.1648 -16.8815 -60.5215 44.2338 -54.1662 44.2342 246.454 GPRESSURE: 1113600 -108.531 -39.9974 -36.6572 -76.2562 94.7045 42.4891 -140.189 140.916 142.691 PRESSAVG: 1113600 15.2591 16.5098 -18.5346 16.5098 -17.5876 36.7046 -18.5347 36.7046 -18.5084 GPRESSAVG: 1113600 16.5361 17.3741 -19.0743 15.9364 -17.6796 38.1292 -18.1447 37.0697 -20.1484 TIMING: 1113600 CPU: 3473.99, 0.00311868/step Wall: 3473.99, 0.00311868/step, 3.36679 hours remaining, 233.742188 MB of memory in use. ENERGY: 1113600 4031.7549 20578.4070 14406.3271 222.3473 -203164.6637 2572.2411 0.0000 0.0000 51971.9655 -109381.6207 298.6836 -161353.5863 -109018.3931 298.5036 15.5233 42.9549 761809.2466 -6.9456 -7.0973 PRESSURE: 1113800 -24.675 108.442 -243.689 108.442 -26.8291 -1.31883 -243.688 -1.31745 240.398 GPRESSURE: 1113800 -82.8728 124.394 -191.702 139.13 64.9004 -26.1771 -209.449 149.667 287.605 PRESSAVG: 1113800 29.1775 4.30716 -12.0261 4.30719 8.22745 -29.2732 -12.026 -29.2733 -1.42713 GPRESSAVG: 1113800 28.5014 4.25278 -11.5003 4.98031 8.57425 -30.3263 -13.6571 -27.6007 -0.946528 TIMING: 1113800 CPU: 3474.62, 0.00312238/step Wall: 3474.62, 0.00312238/step, 3.37061 hours remaining, 233.742188 MB of memory in use. ENERGY: 1113800 4045.8424 20580.8788 14403.8120 269.4265 -203473.1610 2752.9012 0.0000 0.0000 51954.4612 -109465.8389 298.5830 -161420.3001 -109105.1258 298.3643 62.9647 89.8776 762179.2601 11.9926 12.0430 PRESSURE: 1114000 -205.769 -109.777 -85.8868 -109.777 -226.062 -169.396 -85.8863 -169.394 -308.774 GPRESSURE: 1114000 -231.49 -9.71836 -77.9531 -56.2846 -174.889 -169.942 -105.55 -113.719 -264.928 PRESSAVG: 1114000 23.608 -11.7619 -34.6214 -11.7619 34.2476 -3.68454 -34.6213 -3.68462 8.39688 GPRESSAVG: 1114000 24.6061 -11.5869 -34.73 -11.576 34.8417 -4.5443 -31.4235 -5.76817 7.28909 TIMING: 1114000 CPU: 3475.24, 0.00312621/step Wall: 3475.24, 0.00312621/step, 3.37457 hours remaining, 233.742188 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: 1114000 4106.5468 20579.5054 14409.8784 253.9488 -203647.6417 2803.0558 0.0000 0.0000 52006.3576 -109488.3488 298.8813 -161494.7065 -109134.3403 298.7877 -246.8682 -223.7690 762103.3244 22.0841 22.2456 PRESSURE: 1114200 -324.273 -117.681 -70.6839 -117.68 166.108 63.0622 -70.6841 63.0621 70.7601 GPRESSURE: 1114200 -306.188 -152.319 -36.4791 11.9098 219.126 69.7317 -73.8011 64.5448 72.7413 PRESSAVG: 1114200 47.6727 35.8147 -8.79491 35.8148 -32.5715 -3.30869 -8.79493 -3.30874 -0.546331 GPRESSAVG: 1114200 46.5482 35.1445 -8.34738 34.8831 -33.3025 -3.19574 -11.6331 -3.43425 1.12073 TIMING: 1114200 CPU: 3475.87, 0.00312103/step Wall: 3475.87, 0.00312103/step, 3.3688 hours remaining, 233.742188 MB of memory in use. ENERGY: 1114200 4021.7827 20490.7692 14384.4443 252.9966 -203266.7863 2704.9370 0.0000 0.0000 51844.4164 -109567.4400 297.9506 -161411.8564 -109204.5689 297.9927 -29.1351 -4.7738 762653.1863 4.8516 4.7888 PRESSURE: 1114400 347.616 -168.396 99.4946 -168.395 349.428 -2.5449 99.4955 -2.54575 -212.297 GPRESSURE: 1114400 367.816 -129.485 157.016 -138.457 298.418 -83.2168 -13.3738 108.281 -85.4914 PRESSAVG: 1114400 -28.2669 29.7575 -47.8372 29.7575 -37.1094 45.634 -47.8372 45.6339 11.6717 GPRESSAVG: 1114400 -27.7524 30.5062 -48.6961 30.583 -37.3392 45.9885 -47.2559 46.0184 11.0805 TIMING: 1114400 CPU: 3476.49, 0.00310998/step Wall: 3476.49, 0.00310998/step, 3.35671 hours remaining, 233.742188 MB of memory in use. ENERGY: 1114400 3967.3228 20483.3011 14492.1143 236.7648 -203387.3649 2891.3046 0.0000 0.0000 51838.4898 -109478.0676 297.9165 -161316.5573 -109115.5536 298.3839 161.5822 193.5806 762295.1360 -17.9015 -18.0037 PRESSURE: 1114600 -671.44 -9.47958 107.141 -9.48031 13.2105 -109.603 107.14 -109.602 -76.0638 GPRESSURE: 1114600 -607.723 7.15472 111.067 47.9039 50.2155 -158.247 28.6832 -105.377 -106.712 PRESSAVG: 1114600 -36.437 -6.90216 21.0602 -6.90215 11.6887 16.3097 21.0602 16.3097 6.21386 GPRESSAVG: 1114600 -36.3265 -6.5213 20.892 -5.33086 11.6852 16.7879 22.4214 14.2146 6.02606 TIMING: 1114600 CPU: 3477.11, 0.00311778/step Wall: 3477.11, 0.00311778/step, 3.36495 hours remaining, 233.742188 MB of memory in use. ENERGY: 1114600 3959.9141 20372.5988 14446.9628 263.9483 -203058.3010 2764.2982 0.0000 0.0000 51939.7167 -109310.8620 298.4983 -161250.5787 -108947.0989 298.3193 -244.7643 -221.4066 763363.0754 -6.1782 -6.2051 PRESSURE: 1114800 403.061 39.462 38.6592 39.4622 207.288 92.0579 38.6596 92.0586 -267.924 GPRESSURE: 1114800 438.127 -24.7768 88.782 79.8467 254.268 41.1483 93.5232 14.6497 -262.955 PRESSAVG: 1114800 41.889 -21.9066 16.6298 -21.9066 -10.4096 26.8434 16.6298 26.8435 6.36294 GPRESSAVG: 1114800 40.6971 -23.0473 16.7224 -24.0599 -10.7129 27.2907 16.9514 26.9082 7.95363 TIMING: 1114800 CPU: 3477.74, 0.00311814/step Wall: 3477.74, 0.00311814/step, 3.36517 hours remaining, 233.742188 MB of memory in use. ENERGY: 1114800 4050.2911 20479.1414 14460.7229 252.9245 -203563.1354 3054.4796 0.0000 0.0000 51838.6659 -109426.9100 297.9175 -161265.5760 -109074.5548 298.3110 114.1415 143.1465 762244.7144 12.6141 12.6460 PRESSURE: 1115000 70.6547 179.299 69.2153 179.299 155.216 -46.0278 69.2155 -46.0278 123.548 GPRESSURE: 1115000 198.563 202.808 -21.8706 178.237 218.224 -121.661 25.9111 5.00936 25.6676 PRESSAVG: 1115000 -19.534 19.4756 -6.93136 19.4757 -6.84683 -12.0517 -6.93135 -12.0516 -22.1318 GPRESSAVG: 1115000 -18.756 18.5086 -5.37781 21.4884 -5.57679 -10.9961 -9.02518 -12.589 -24.0645 TIMING: 1115000 CPU: 3478.36, 0.00312382/step Wall: 3478.36, 0.00312382/step, 3.37113 hours remaining, 233.742188 MB of memory in use. ENERGY: 1115000 3981.7566 20424.3559 14414.2280 260.9928 -203425.2099 3151.6050 0.0000 0.0000 52036.6225 -109155.6491 299.0552 -161192.2716 -108796.5300 298.5104 116.4732 147.4851 763396.4198 -16.1709 -16.1324 PRESSURE: 1115200 -271.177 -187.781 331.209 -187.781 -41.2992 253.369 331.209 253.368 -379.91 GPRESSURE: 1115200 -171.105 -285.626 343.151 -106.44 29.3471 249.173 317.665 46.2657 -456.021 PRESSAVG: 1115200 -3.93064 22.2232 -41.5335 22.2232 -24.5987 47.1047 -41.5335 47.1046 2.37324 GPRESSAVG: 1115200 -2.64896 21.6929 -42.9092 20.3493 -25.8618 46.1595 -41.744 47.4793 2.23473 TIMING: 1115200 CPU: 3478.99, 0.0031466/step Wall: 3478.99, 0.0031466/step, 3.39553 hours remaining, 233.742188 MB of memory in use. ENERGY: 1115200 3962.8466 20527.6328 14413.6676 249.2261 -203198.0756 2690.5604 0.0000 0.0000 52151.6470 -109202.4952 299.7162 -161354.1422 -108837.4631 299.3272 -230.7953 -199.2596 763509.5135 -8.7187 -8.7587 PRESSURE: 1115400 -155.931 -84.8347 77.5399 -84.836 -230.77 -341.419 77.5394 -341.418 164.475 GPRESSURE: 1115400 -78.8017 -10.6455 43.0351 29.8963 -204.551 -316.216 98.2792 -302.104 128.476 PRESSAVG: 1115400 -2.84823 -17.5122 -21.7678 -17.5122 32.0693 3.75589 -21.7677 3.75583 -10.5443 GPRESSAVG: 1115400 -4.20261 -17.8332 -21.7295 -15.3873 31.6575 2.00168 -20.7379 4.55016 -9.1954 TIMING: 1115400 CPU: 3479.62, 0.0031272/step Wall: 3479.62, 0.00312721/step, 3.37443 hours remaining, 233.742188 MB of memory in use. ENERGY: 1115400 4028.0675 20603.5952 14502.3354 260.3079 -203543.4136 2893.7437 0.0000 0.0000 52040.1545 -109215.2095 299.0755 -161255.3640 -108852.6857 298.8915 -74.0756 -51.6256 764098.5071 6.2256 6.0865 PRESSURE: 1115600 -221.01 86.3586 26.6434 86.3584 169.834 -74.9432 26.6437 -74.9444 50.8879 GPRESSURE: 1115600 -213.038 53.4808 55.0043 148.883 184.382 -25.4597 -101.839 32.987 92.1314 PRESSAVG: 1115600 -6.10852 -23.6445 -18.6615 -23.6445 23.6694 -8.35493 -18.6615 -8.35488 -13.9156 GPRESSAVG: 1115600 -5.59132 -22.9126 -18.3558 -26.6231 24.3529 -5.19308 -20.471 -7.93259 -14.7686 TIMING: 1115600 CPU: 3480.24, 0.00312782/step Wall: 3480.24, 0.00312782/step, 3.37492 hours remaining, 233.742188 MB of memory in use. ENERGY: 1115600 4005.9988 20360.0934 14419.6376 264.9592 -203116.0800 2587.9191 0.0000 0.0000 52090.7497 -109386.7222 299.3663 -161477.4719 -109024.5423 298.8215 -0.0960 21.1586 762692.0671 1.2151 1.3310 PRESSURE: 1115800 -116.332 133.146 -48.9224 133.147 345.016 5.96818 -48.922 5.96693 -192.726 GPRESSURE: 1115800 -115.548 -16.9197 37.9274 125.047 310.036 -54.1214 -112.439 69.1914 -61.6808 PRESSAVG: 1115800 -91.7163 40.0026 -55.0236 40.0026 73.6689 15.9702 -55.0236 15.9701 -3.28463 GPRESSAVG: 1115800 -91.8205 40.448 -55.0051 41.1913 74.6725 13.5329 -54.0279 16.9918 -3.82109 TIMING: 1115800 CPU: 3480.86, 0.00310896/step Wall: 3480.86, 0.00310896/step, 3.3544 hours remaining, 233.742188 MB of memory in use. ENERGY: 1115800 3990.8149 20301.5634 14474.7899 242.6356 -203393.0948 3105.1693 0.0000 0.0000 51917.2334 -109360.8883 298.3691 -161278.1217 -108993.8779 298.5443 11.9858 44.2690 764489.8163 -7.1107 -6.9897 PRESSURE: 1116000 -59.2521 100.194 133.183 100.194 -348.827 -267.061 133.182 -267.061 -464.047 GPRESSURE: 1116000 32.9609 61.0783 134.779 68.3537 -223.888 -346.645 2.98576 -121.106 -562.307 PRESSAVG: 1116000 -60.3427 22.5516 14.0197 22.5517 35.7898 -3.5002 14.0197 -3.50019 11.2612 GPRESSAVG: 1116000 -59.6235 22.8938 14.6623 23.3575 34.2981 -2.30977 13.2956 -3.77447 12.0126 TIMING: 1116000 CPU: 3481.49, 0.00311893/step Wall: 3481.49, 0.00311893/step, 3.36498 hours remaining, 233.742188 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: 1116000 3949.4834 20516.2901 14411.8057 256.9295 -202602.5998 2438.1625 0.0000 0.0000 51921.0223 -109108.9063 298.3908 -161029.9287 -108737.8217 298.8026 -290.7086 -251.0780 765339.9877 -4.4306 -4.4376 PRESSURE: 1116200 444.825 18.9681 -37.9881 18.9687 14.1948 -204.761 -37.9881 -204.76 432.711 GPRESSURE: 1116200 384.668 -65.0796 27.0047 -13.6018 98.1422 -251.268 -21.6652 -147.244 494.17 PRESSAVG: 1116200 1.09736 -2.02921 -9.73649 -2.02921 11.9791 -6.80271 -9.73648 -6.80272 8.6702 GPRESSAVG: 1116200 0.23197 -2.20133 -10.8654 -4.20163 12.306 -5.66564 -8.99225 -7.70145 9.30785 TIMING: 1116200 CPU: 3482.11, 0.00312421/step Wall: 3482.11, 0.00312421/step, 3.3705 hours remaining, 233.742188 MB of memory in use. ENERGY: 1116200 4018.1946 20580.0316 14385.7172 257.9463 -203431.4215 3002.6816 0.0000 0.0000 52030.6219 -109156.2284 299.0207 -161186.8503 -108802.8004 299.0261 297.2434 325.6599 761951.3449 7.2489 7.2819 LDB: ============= START OF LOAD BALANCING ============== 3494.59 LDB: ============== END OF LOAD BALANCING =============== 3494.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3494.59 LDB: ============= START OF LOAD BALANCING ============== 3494.9 LDB: Largest compute 6972 load 0.031086 is 15.9% of average load 0.195056 LDB: Average compute 0.004393 is 2.3% of average load 0.195056 LDB: TIME 3494.91 LOAD: AVG 0.195056 MAX 0.218989 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 3494.91 LOAD: AVG 0.195056 MAX 0.218989 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: TIME 3494.91 LOAD: AVG 0.195056 MAX 0.217202 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: ============== END OF LOAD BALANCING =============== 3494.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3494.92 PRESSURE: 1116400 397.601 -0.384344 -134.762 -0.384195 72.6595 265.239 -134.762 265.238 -5.42961 GPRESSURE: 1116400 407.03 -47.0019 -84.5927 69.7749 97.7479 294.566 -51.1641 201.669 42.399 PRESSAVG: 1116400 -28.8217 29.6172 -12.8263 29.6173 31.2373 32.1479 -12.8263 32.1478 10.6512 GPRESSAVG: 1116400 -27.535 28.1055 -12.0981 32.1754 30.535 31.0102 -12.6308 32.8795 9.44141 TIMING: 1116400 CPU: 3482.75, 0.00319228/step Wall: 3482.75, 0.00319228/step, 3.44376 hours remaining, 235.023438 MB of memory in use. ENERGY: 1116400 3979.7408 20501.7521 14387.1617 240.0786 -203041.6325 2758.4295 0.0000 0.0000 52043.5482 -109130.9216 299.0950 -161174.4698 -108780.0914 299.2107 154.9438 182.3924 763419.4809 4.3556 4.1471 PRESSURE: 1116600 214.515 63.1289 -88.3981 63.1295 65.7133 124.214 -88.3983 124.212 -287.452 GPRESSURE: 1116600 168.968 -9.14401 -53.0345 36.0987 145.331 124.317 -193.196 41.9835 -235.131 PRESSAVG: 1116600 -13.3663 -1.28715 2.58971 -1.28713 30.5302 57.0699 2.58973 57.0699 10.8482 GPRESSAVG: 1116600 -14.4216 -1.09844 4.2419 -2.37504 30.9348 58.5214 1.36834 54.283 12.055 TIMING: 1116600 CPU: 3483.38, 0.00312704/step Wall: 3483.38, 0.00312704/step, 3.37321 hours remaining, 235.023438 MB of memory in use. ENERGY: 1116600 4037.1942 20376.9879 14523.9274 249.0599 -203266.9228 2892.1310 0.0000 0.0000 52039.3005 -109148.3219 299.0706 -161187.6223 -108784.2891 298.9270 -2.4080 26.3896 762047.8379 9.3374 9.5227 PRESSURE: 1116800 -15.9752 160.087 -27.9716 160.088 3.18469 -48.2798 -27.9711 -48.2802 51.0796 GPRESSURE: 1116800 63.1305 138.606 -63.5526 -70.7514 -18.2969 -88.9979 -74.1773 -60.489 55.7144 PRESSAVG: 1116800 -73.3347 -12.7857 -0.643117 -12.7856 68.1033 50.154 -0.643114 50.154 -5.52821 GPRESSAVG: 1116800 -72.4319 -12.6029 -2.34698 -11.8923 68.0303 48.5852 -0.511071 51.5684 -6.74129 TIMING: 1116800 CPU: 3484, 0.00312643/step Wall: 3484, 0.00312643/step, 3.37238 hours remaining, 235.023438 MB of memory in use. ENERGY: 1116800 4066.4225 20430.2943 14476.4782 234.3641 -203089.5472 2629.0700 0.0000 0.0000 51826.9649 -109425.9532 297.8503 -161252.9181 -109058.2197 298.7319 12.7630 33.5160 762367.8618 -3.5865 -3.7143 PRESSURE: 1117000 -141.078 193.615 84.9374 193.615 -92.1436 10.044 84.9377 10.0449 -277.94 GPRESSURE: 1117000 -139.506 176.906 77.2757 157.728 -43.7706 79.7688 40.9384 3.79935 -264.98 PRESSAVG: 1117000 -42.0442 25.5139 -26.6046 25.5139 9.10232 -11.3303 -26.6046 -11.3302 -9.97017 GPRESSAVG: 1117000 -43.2599 26.4972 -27.1863 24.5541 9.04998 -10.2935 -26.1105 -11.9921 -8.56055 TIMING: 1117000 CPU: 3484.63, 0.00314383/step Wall: 3484.63, 0.00314383/step, 3.39097 hours remaining, 235.023438 MB of memory in use. ENERGY: 1117000 4050.4140 20459.6965 14423.8592 234.1200 -203105.9784 2726.6972 0.0000 0.0000 51770.1676 -109441.0238 297.5239 -161211.1914 -109101.7782 297.4667 -170.3874 -149.4189 764386.7151 -14.3040 -14.2568 PRESSURE: 1117200 180.326 97.8028 17.4812 97.8033 60.2383 257.683 17.4808 257.683 133.201 GPRESSURE: 1117200 266.928 131.271 -51.5821 98.024 -2.99271 184 67.4633 207.193 187.06 PRESSAVG: 1117200 -30.8572 45.7208 9.37722 45.7209 38.339 25.9743 9.37726 25.9744 17.6467 GPRESSAVG: 1117200 -30.4169 47.0098 9.37754 43.4661 38.9776 25.3085 9.68883 27.0179 16.7494 TIMING: 1117200 CPU: 3485.26, 0.00313267/step Wall: 3485.26, 0.00313267/step, 3.37876 hours remaining, 235.023438 MB of memory in use. ENERGY: 1117200 3926.3068 20433.6403 14505.5401 243.5628 -203467.7573 2952.6828 0.0000 0.0000 51784.0501 -109621.9743 297.6036 -161406.0244 -109264.7657 298.3094 124.5886 150.3318 763813.0195 8.3762 8.4367 PRESSURE: 1117400 -167.045 -148.675 -0.758778 -148.675 -174.922 46.2069 -0.758804 46.2063 349.489 GPRESSURE: 1117400 -158.51 -115.332 58.8113 -5.96758 -76.5162 -18.7958 -116.109 45.3351 320.87 PRESSAVG: 1117400 14.0979 49.5787 -17.8972 49.5786 11.3977 -19.4915 -17.8972 -19.4915 6.59777 GPRESSAVG: 1117400 14.6795 49.1273 -18.565 51.9759 10.8702 -18.9276 -18.4896 -21.3152 6.35427 TIMING: 1117400 CPU: 3485.88, 0.00314022/step Wall: 3485.88, 0.00314022/step, 3.38673 hours remaining, 235.023438 MB of memory in use. ENERGY: 1117400 4034.8184 20243.3392 14428.8178 238.4183 -203635.2810 3152.0655 0.0000 0.0000 51884.6945 -109653.1274 298.1821 -161537.8219 -109291.0233 298.1821 2.5074 28.6149 763615.7184 10.6978 10.6347 PRESSURE: 1117600 -62.8425 -117.621 73.8881 -117.621 12.5394 24.3332 73.8883 24.3333 246.889 GPRESSURE: 1117600 -93.5496 -93.357 57.6577 -60.2589 135.986 12.5132 94.3424 3.66744 252.221 PRESSAVG: 1117600 19.5706 -15.2507 12.073 -15.2507 -5.60734 -7.48003 12.073 -7.48003 -0.238355 GPRESSAVG: 1117600 18.7957 -14.6339 12.4598 -15.5543 -5.46845 -8.63534 12.5235 -7.61866 0.56397 TIMING: 1117600 CPU: 3486.51, 0.00314281/step Wall: 3486.51, 0.00314281/step, 3.38934 hours remaining, 235.023438 MB of memory in use. ENERGY: 1117600 4030.6898 20457.0444 14407.3446 219.6016 -203102.4812 2672.4151 0.0000 0.0000 51791.1908 -109524.1950 297.6447 -161315.3857 -109167.2148 298.3564 65.5287 98.2192 765229.6504 4.5750 4.6304 PRESSURE: 1117800 94.8465 52.0139 154.381 52.0143 -116.398 59.3388 154.38 59.3377 202.021 GPRESSURE: 1117800 180.721 78.5601 130.552 -34.7297 -37.6098 -2.64786 56.8452 95.2632 137.587 PRESSAVG: 1117800 -4.41501 9.23957 23.7991 9.23952 13.355 -33.582 23.7991 -33.582 -26.9465 GPRESSAVG: 1117800 -4.40814 6.61503 24.7474 9.88826 13.437 -35.0357 21.3862 -31.6682 -27.039 TIMING: 1117800 CPU: 3487.14, 0.00316024/step Wall: 3487.14, 0.00316024/step, 3.40797 hours remaining, 235.023438 MB of memory in use. ENERGY: 1117800 3956.2586 20290.5290 14381.0891 238.3940 -203477.0017 3020.8355 0.0000 0.0000 52080.6609 -109509.2347 299.3083 -161589.8955 -109142.8286 297.9444 60.1566 93.5661 762634.4923 -6.0021 -6.0034 PRESSURE: 1118000 337.526 155.337 -180.55 155.336 83.6322 449.735 -180.549 449.736 203.205 GPRESSURE: 1118000 293.046 120.617 -248.647 0.697305 157.997 537.741 -136.951 261.069 264.019 PRESSAVG: 1118000 -8.17532 0.699363 33.4228 0.699374 27.1828 54.4941 33.4229 54.4941 -22.7762 GPRESSAVG: 1118000 -8.38912 3.26922 33.0553 -0.781715 27.6796 55.8893 34.0905 52.7603 -23.4374 TIMING: 1118000 CPU: 3487.77, 0.00314404/step Wall: 3487.77, 0.00314404/step, 3.39032 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1118000 4008.8173 20425.8330 14381.9262 248.2359 -203455.7422 2767.0516 0.0000 0.0000 52137.7422 -109486.1361 299.6363 -161623.8783 -109122.4092 298.4704 208.1210 238.3539 760829.1048 -1.2562 -1.3823 PRESSURE: 1118200 159.915 -194.815 145.595 -194.815 -103.591 67.8795 145.594 67.8796 236.406 GPRESSURE: 1118200 174.965 -197.983 150.987 -128.422 -44.1577 136.978 141.474 85.3429 239.926 PRESSAVG: 1118200 31.1698 -5.50303 -1.3079 -5.50301 7.37824 39.0601 -1.3079 39.0601 0.480204 GPRESSAVG: 1118200 30.2625 -6.41763 -1.49344 -3.34272 7.25854 39.3089 0.3795 39.3949 1.88638 TIMING: 1118200 CPU: 3488.4, 0.00314451/step Wall: 3488.4, 0.00314451/step, 3.39065 hours remaining, 235.023438 MB of memory in use. ENERGY: 1118200 4042.9868 20451.8344 14377.6660 242.2794 -203664.8549 3093.7338 0.0000 0.0000 52115.6798 -109340.6748 299.5095 -161456.3546 -108977.7973 298.6781 97.5766 123.5777 763801.6721 13.0094 13.1358 PRESSURE: 1118400 -130.088 111.557 -38.9389 111.558 78.5681 204.626 -38.9378 204.625 68.7407 GPRESSURE: 1118400 -137.94 -5.21998 -48.7627 9.65254 126.155 170.925 -13.4538 137.068 138.569 PRESSAVG: 1118400 -6.03654 -22.9933 -39.3569 -22.9933 8.35254 -38.6725 -39.357 -38.6725 12.1501 GPRESSAVG: 1118400 -6.02108 -23.5826 -40.096 -23.8679 9.49149 -38.678 -39.9318 -36.8165 11.345 TIMING: 1118400 CPU: 3489.03, 0.00312849/step Wall: 3489.03, 0.00312849/step, 3.37321 hours remaining, 235.023438 MB of memory in use. ENERGY: 1118400 4000.3892 20437.2106 14348.9644 245.7741 -203106.1534 2718.0077 0.0000 0.0000 52167.8149 -109187.9926 299.8091 -161355.8075 -108822.5783 298.9751 5.7403 42.2610 763427.0223 4.8220 4.9385 PRESSURE: 1118600 193.624 58.9237 114.868 58.9231 -218.539 -32.5609 114.866 -32.56 144.441 GPRESSURE: 1118600 161.675 137.282 102.049 93.1127 -126.301 -6.14583 17.3128 2.46218 182.761 PRESSAVG: 1118600 -28.3696 17.957 -21.2223 17.957 -0.0313881 7.45129 -21.2223 7.4513 -11.3389 GPRESSAVG: 1118600 -27.4514 19.2462 -20.4209 19.296 -1.72624 9.36194 -22.0607 5.48642 -10.63 TIMING: 1118600 CPU: 3489.66, 0.00314697/step Wall: 3489.66, 0.00314697/step, 3.39296 hours remaining, 235.023438 MB of memory in use. ENERGY: 1118600 3944.5307 20337.0057 14376.3931 239.4057 -202865.2148 2607.6293 0.0000 0.0000 51983.0237 -109377.2266 298.7472 -161360.2503 -109013.2988 298.7762 39.8419 72.7118 763132.5728 -13.2466 -13.2692 PRESSURE: 1118800 -438.687 74.3824 -134.401 74.3826 -11.8338 -26.7672 -134.401 -26.7667 43.9826 GPRESSURE: 1118800 -397.301 71.9585 -91.7566 -47.2201 75.8994 21.0858 -10.2684 -26.2404 14.5008 PRESSAVG: 1118800 6.38388 51.8043 21.5662 51.8043 25.7757 13.5277 21.5661 13.5276 -15.0215 GPRESSAVG: 1118800 7.36794 52.1623 21.284 50.9358 25.4655 11.2617 22.0394 15.3138 -15.8241 TIMING: 1118800 CPU: 3490.28, 0.00313688/step Wall: 3490.28, 0.00313688/step, 3.38191 hours remaining, 235.023438 MB of memory in use. ENERGY: 1118800 4046.0866 20388.7445 14307.7728 265.9973 -203412.4552 2979.5818 0.0000 0.0000 51948.0625 -109476.2097 298.5462 -161424.2722 -109123.1521 298.1893 -135.5127 -102.3001 763891.1335 5.7127 5.6698 PRESSURE: 1119000 239.341 31.1738 -44.626 31.1736 -139.869 221.67 -44.627 221.67 95.391 GPRESSURE: 1119000 187.695 23.0406 -92.6367 -50.0392 -82.6198 245.661 -78.4359 36.9608 152.504 PRESSAVG: 1119000 3.81543 40.5823 60.7207 40.5823 17.3502 30.8106 60.7207 30.8106 4.31701 GPRESSAVG: 1119000 3.86053 40.5158 60.2457 39.1649 17.986 30.7071 60.2922 30.2685 3.83771 TIMING: 1119000 CPU: 3490.91, 0.00312084/step Wall: 3490.91, 0.00312084/step, 3.36443 hours remaining, 235.023438 MB of memory in use. ENERGY: 1119000 3961.6205 20414.3560 14441.5332 241.7040 -203076.7394 2534.7366 0.0000 0.0000 52154.7378 -109328.0513 299.7340 -161482.7891 -108966.8748 298.4116 64.9545 85.8598 763614.4487 8.4942 8.5614 PRESSURE: 1119200 -24.8997 -168.53 130.104 -168.53 -40.2127 152.121 130.104 152.121 150.237 GPRESSURE: 1119200 -0.131423 -69.4171 44.3091 -73.6723 -40.3645 208.597 218.03 113.527 199.633 PRESSAVG: 1119200 -20.1287 -43.1875 -12.9938 -43.1876 -35.5831 27.4327 -12.9939 27.4327 -8.67365 GPRESSAVG: 1119200 -20.6054 -42.6791 -12.2523 -42.3988 -36.1331 28.9792 -11.8528 25.7676 -7.08372 TIMING: 1119200 CPU: 3491.53, 0.00312954/step Wall: 3491.53, 0.00312954/step, 3.37365 hours remaining, 235.023438 MB of memory in use. ENERGY: 1119200 4004.7021 20383.0998 14333.3596 239.0137 -203635.1649 3156.4160 0.0000 0.0000 52053.0264 -109465.5473 299.1495 -161518.5737 -109113.9300 298.9597 28.3750 53.0458 764000.5334 -21.4618 -21.2741 PRESSURE: 1119400 180.304 59.2342 100.55 59.2341 155.901 137.615 100.55 137.614 110.344 GPRESSURE: 1119400 203.137 28.3901 46.6339 30.9838 216.344 104.372 109.935 115.26 134.592 PRESSAVG: 1119400 51.0866 27.7524 -36.0779 27.7524 -29.7468 9.84594 -36.0779 9.84587 -7.99721 GPRESSAVG: 1119400 50.9345 25.1468 -35.9323 28.6083 -27.8027 9.15059 -37.7745 12.3013 -8.67827 TIMING: 1119400 CPU: 3492.16, 0.00313011/step Wall: 3492.16, 0.0031301/step, 3.37408 hours remaining, 235.023438 MB of memory in use. ENERGY: 1119400 3946.5917 20357.8642 14383.4791 265.0113 -203407.6461 2918.4163 0.0000 0.0000 52096.4741 -109439.8094 299.3992 -161536.2835 -109079.1727 298.6235 148.8499 184.6908 762643.8253 4.4476 4.8179 PRESSURE: 1119600 -135.285 89.0158 178.057 89.0159 262.32 203.046 178.057 203.046 -137.561 GPRESSURE: 1119600 -3.24462 -58.966 187.167 122.495 204.599 141.141 146.104 180.678 -153.717 PRESSAVG: 1119600 22.2541 -13.5653 -35.186 -13.5654 -11.8703 23.792 -35.186 23.7919 1.62079 GPRESSAVG: 1119600 23.1403 -14.3628 -35.2333 -14.1425 -12.0065 24.0011 -32.9747 22.5715 1.25193 TIMING: 1119600 CPU: 3492.79, 0.00313405/step Wall: 3492.79, 0.00313405/step, 3.37816 hours remaining, 235.023438 MB of memory in use. ENERGY: 1119600 3935.5109 20405.5986 14430.0084 219.6573 -203022.7528 2656.8587 0.0000 0.0000 52117.8697 -109257.2491 299.5221 -161375.1188 -108895.9870 298.7542 -3.5086 15.8789 764000.9030 4.0015 4.1286 PRESSURE: 1119800 -269.744 -8.82489 -151.242 -8.82479 -149.867 152.359 -151.242 152.358 94.6405 GPRESSURE: 1119800 -122.284 94.6282 -73.1278 25.3282 -202.782 74.6832 -202.183 182.907 92.832 PRESSAVG: 1119800 -15.3032 8.06716 24.8706 8.06714 -12.727 49.7514 24.8706 49.7514 27.4997 GPRESSAVG: 1119800 -12.7893 8.7966 24.6993 8.11907 -14.1596 49.7385 23.2915 50.489 26.1369 TIMING: 1119800 CPU: 3493.41, 0.00313619/step Wall: 3493.41, 0.00313619/step, 3.38029 hours remaining, 235.023438 MB of memory in use. ENERGY: 1119800 3856.7915 20538.6606 14389.5212 250.1950 -203258.4324 2749.0940 0.0000 0.0000 51996.3383 -109477.8320 298.8237 -161474.1703 -109119.0229 298.6569 -108.3237 -77.4111 762121.5989 -0.1768 -0.2707 PRESSURE: 1120000 -78.0634 209.157 23.0192 209.158 -150.156 187.691 23.0201 187.69 -224.758 GPRESSURE: 1120000 -70.9477 152.94 0.43465 277.281 -82.0946 174.124 -92.1573 133.85 -222.817 PRESSAVG: 1120000 3.9018 -5.25776 -4.21596 -5.25775 -44.1171 28.5527 -4.21594 28.5526 -22.8355 GPRESSAVG: 1120000 2.30031 -4.22648 -4.5232 -3.0618 -43.4783 28.085 -1.96521 29.5665 -21.6702 TIMING: 1120000 CPU: 3494.04, 0.00315102/step Wall: 3494.04, 0.00315102/step, 3.3961 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1120000 3983.4256 20492.4613 14419.8358 241.1673 -203125.5544 2758.0637 0.0000 0.0000 51863.9316 -109366.6690 298.0627 -161230.6006 -109012.5259 298.2196 -150.9925 -125.2866 763542.1567 -21.0169 -20.9494 PRESSURE: 1120200 -271.497 225.75 -173.786 225.75 -294.146 -72.7419 -173.787 -72.7418 23.8386 GPRESSURE: 1120200 -214.958 105.779 -125.529 118.024 -305.408 -78.152 -87.6847 -58.8903 55.3156 PRESSAVG: 1120200 -41.5053 6.64474 -16.1467 6.64477 23.441 42.8797 -16.1467 42.8797 8.10109 GPRESSAVG: 1120200 -41.3476 6.57102 -15.9372 5.43937 23.6575 44.1034 -19.5037 40.633 7.76665 TIMING: 1120200 CPU: 3494.67, 0.00314365/step Wall: 3494.67, 0.00314365/step, 3.38798 hours remaining, 235.023438 MB of memory in use. ENERGY: 1120200 3954.4667 20533.5996 14410.1615 240.2452 -202976.3828 2472.6876 0.0000 0.0000 52028.2396 -109336.9827 299.0070 -161365.2223 -108973.9215 298.4524 -180.6014 -155.0166 762940.4843 -3.3211 -3.3078 LDB: ============= START OF LOAD BALANCING ============== 3507.15 LDB: ============== END OF LOAD BALANCING =============== 3507.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3507.15 LDB: ============= START OF LOAD BALANCING ============== 3507.47 LDB: Largest compute 7021 load 0.031035 is 15.9% of average load 0.195042 LDB: Average compute 0.004388 is 2.2% of average load 0.195042 LDB: TIME 3507.47 LOAD: AVG 0.195042 MAX 0.21608 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.539 MB LDB: TIME 3507.47 LOAD: AVG 0.195042 MAX 0.21608 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.539 MB LDB: TIME 3507.47 LOAD: AVG 0.195042 MAX 0.21608 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.539 MB LDB: ============== END OF LOAD BALANCING =============== 3507.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3507.48 PRESSURE: 1120400 106.329 37.5125 87.4317 37.5124 -16.3139 -178.961 87.4326 -178.959 -279.156 GPRESSURE: 1120400 5.11508 146.023 63.93 65.5897 59.426 -91.7087 85.7005 -75.5919 -177.898 PRESSAVG: 1120400 12.2492 9.8982 -23.8492 9.89816 -30.1587 32.7285 -23.8493 32.7284 19.861 GPRESSAVG: 1120400 12.4855 9.44074 -24.162 9.92097 -30.8417 32.739 -21.5701 33.7718 19.6937 TIMING: 1120400 CPU: 3495.31, 0.00319408/step Wall: 3495.31, 0.00319408/step, 3.44215 hours remaining, 234.050781 MB of memory in use. ENERGY: 1120400 3971.7521 20602.4928 14447.5080 234.3635 -203078.0540 2688.4271 0.0000 0.0000 52130.8832 -109002.6273 299.5969 -161133.5106 -108650.8554 298.4218 -63.0471 -37.7856 762235.7611 0.6505 0.4459 PRESSURE: 1120600 150.259 -57.647 217.809 -57.6462 -2.20111 67.1574 217.809 67.156 215.018 GPRESSURE: 1120600 216.928 8.81551 191.469 75.9911 -50.3489 47.8448 217.815 93.1737 279.412 PRESSAVG: 1120600 3.23625 32.2077 -30.0544 32.2076 40.5398 6.61652 -30.0544 6.61649 22.5235 GPRESSAVG: 1120600 3.72474 33.9562 -28.3232 32.3373 40.3928 6.91891 -30.5472 7.86427 22.098 TIMING: 1120600 CPU: 3495.94, 0.00313886/step Wall: 3495.94, 0.00313886/step, 3.38248 hours remaining, 234.050781 MB of memory in use. ENERGY: 1120600 3958.6111 20531.2488 14403.1450 249.4960 -203199.2996 2974.8555 0.0000 0.0000 52151.1589 -108930.7844 299.7134 -161081.9432 -108569.5825 299.6247 121.0252 148.6638 763079.6552 22.0998 22.0718 PRESSURE: 1120800 -408.951 157.249 108.545 157.249 -163.603 -39.4555 108.544 -39.4555 -266.703 GPRESSURE: 1120800 -408.653 135.774 81.7439 65.2879 -134.034 30.4074 78.0111 -174.896 -221.152 PRESSAVG: 1120800 -30.7997 18.5669 -50.3418 18.5668 16.0667 16.8605 -50.3419 16.8606 13.9132 GPRESSAVG: 1120800 -31.1823 16.4488 -51.378 18.765 15.6807 17.0889 -51.0479 13.4934 14.6701 TIMING: 1120800 CPU: 3496.57, 0.00312764/step Wall: 3496.57, 0.00312764/step, 3.3702 hours remaining, 234.050781 MB of memory in use. ENERGY: 1120800 3971.6288 20345.5141 14466.5385 255.4974 -202924.7810 2716.4025 0.0000 0.0000 52274.5162 -108894.6834 300.4224 -161169.1996 -108539.6239 299.4901 -279.7520 -254.6130 763580.5962 -0.2733 -0.2772 PRESSURE: 1121000 -176.06 -68.0869 -9.98397 -68.0868 46.5434 161.619 -9.98425 161.619 -49.5181 GPRESSURE: 1121000 -206.838 -28.9867 -43.3088 -2.84524 101.487 217.037 -102.145 205.825 7.62885 PRESSAVG: 1121000 -60.3436 6.19548 -23.5512 6.19554 21.5961 6.38407 -23.5511 6.3841 -8.56735 GPRESSAVG: 1121000 -60.4987 8.02417 -24.8631 6.30501 21.7512 4.83742 -22.9077 7.04221 -8.48623 TIMING: 1121000 CPU: 3497.19, 0.00312384/step Wall: 3497.19, 0.00312384/step, 3.36594 hours remaining, 234.050781 MB of memory in use. ENERGY: 1121000 3972.0180 20477.3823 14499.0247 256.2638 -203055.9236 2756.7429 0.0000 0.0000 51952.9318 -109141.5601 298.5742 -161094.4919 -108779.7191 298.9574 -59.6784 -32.5741 762772.8660 -15.7716 -15.7446 PRESSURE: 1121200 425.888 142.107 -43.7545 142.107 -248.464 126.966 -43.7535 126.967 -64.0297 GPRESSURE: 1121200 417.026 83.242 -107.261 177.099 -212.123 133.724 -124.434 76.9822 -12.8274 PRESSAVG: 1121200 -8.55527 56.4707 -72.2039 56.4707 24.9428 -31.7676 -72.2038 -31.7676 -1.37026 GPRESSAVG: 1121200 -8.08763 56.5669 -71.2992 55.5242 24.2358 -31.3623 -73.9776 -31.4798 -1.28191 TIMING: 1121200 CPU: 3497.82, 0.00312411/step Wall: 3497.82, 0.00312411/step, 3.36605 hours remaining, 234.050781 MB of memory in use. ENERGY: 1121200 3949.1925 20230.2192 14430.3025 254.6549 -202657.3239 2848.1909 0.0000 0.0000 51891.0868 -109053.6771 298.2188 -160944.7639 -108691.7880 298.6744 37.7980 64.0252 763538.6367 5.0057 4.9554 PRESSURE: 1121400 -115.653 106.475 29.6091 106.474 26.5881 -221.897 29.6091 -221.896 -333.437 GPRESSURE: 1121400 -75.8397 47.1015 147.715 161.864 98.5054 -229.004 79.4042 -134.661 -360.586 PRESSAVG: 1121400 11.53 -10.3309 -48.7268 -10.331 6.23872 6.7275 -48.7268 6.72748 11.3652 GPRESSAVG: 1121400 10.873 -9.66552 -48.5517 -8.79286 8.15436 6.07198 -46.1814 8.20042 10.2567 TIMING: 1121400 CPU: 3498.44, 0.00312404/step Wall: 3498.44, 0.00312404/step, 3.36581 hours remaining, 234.050781 MB of memory in use. ENERGY: 1121400 3920.9018 20256.2384 14478.3786 269.6163 -202864.8142 2912.5949 0.0000 0.0000 51940.2172 -109086.8671 298.5011 -161027.0843 -108723.9989 299.1518 -140.8339 -112.6400 762887.7709 9.7113 9.7614 PRESSURE: 1121600 -305.011 68.5093 -148.324 68.5091 -82.863 -14.5608 -148.324 -14.5604 60.823 GPRESSURE: 1121600 -165.514 32.9771 -191.975 92.9386 -120.974 14.4316 -89.744 18.3191 32.9908 PRESSAVG: 1121600 -33.6864 36.5447 -48.3201 36.5447 -11.8335 -13.9126 -48.3201 -13.9127 -16.0061 GPRESSAVG: 1121600 -33.6349 34.7381 -47.0357 35.6103 -13.6793 -14.7407 -48.6952 -13.8018 -14.6488 TIMING: 1121600 CPU: 3499.07, 0.00314797/step Wall: 3499.07, 0.00314797/step, 3.39141 hours remaining, 234.050781 MB of memory in use. ENERGY: 1121600 3888.0768 20320.3701 14562.4377 256.9667 -202548.6529 2456.9282 0.0000 0.0000 52011.9723 -109051.9010 298.9135 -161063.8733 -108683.5512 299.0760 -109.0169 -84.4992 764370.6922 -20.5087 -20.6543 PRESSURE: 1121800 -390.285 357.727 226.577 357.727 -92.7445 -147.802 226.577 -147.802 242.772 GPRESSURE: 1121800 -337.366 281.333 211.037 450.883 -97.548 -191.551 175.662 -119.57 296.899 PRESSAVG: 1121800 5.38622 29.8416 -38.1609 29.8416 18.1093 24.3379 -38.1609 24.3378 37.2017 GPRESSAVG: 1121800 5.46095 29.0822 -38.9049 29.5045 18.0659 25.6898 -39.6822 25.1536 37.0535 TIMING: 1121800 CPU: 3499.7, 0.0031433/step Wall: 3499.7, 0.0031433/step, 3.38621 hours remaining, 234.050781 MB of memory in use. ENERGY: 1121800 3947.5423 20393.3360 14451.8370 261.3279 -202859.0855 2675.4304 0.0000 0.0000 52054.3517 -109075.2603 299.1571 -161129.6119 -108716.3616 298.9197 -80.0858 -46.0050 763191.6242 20.2324 20.1935 PRESSURE: 1122000 109.648 204.996 -198.043 204.997 427.591 74.5231 -198.044 74.5232 216.266 GPRESSURE: 1122000 160.363 204.706 -156.659 98.2753 491.572 -28.9603 -209.265 244.317 186.091 PRESSAVG: 1122000 -22.6379 60.7063 2.97411 60.7063 26.6347 -8.49461 2.97412 -8.49471 -16.748 GPRESSAVG: 1122000 -22.776 62.0498 3.58189 59.814 27.0273 -7.14757 1.96866 -10.9114 -17.3871 TIMING: 1122000 CPU: 3500.33, 0.00313983/step Wall: 3500.33, 0.00313983/step, 3.38229 hours remaining, 234.050781 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: 1122000 3995.4964 20500.5862 14472.7313 242.9137 -203328.3317 3056.2459 0.0000 0.0000 51964.9103 -109095.4479 298.6431 -161060.3582 -108743.3876 298.9926 251.1683 279.3417 764361.9038 -4.2504 -4.3786 PRESSURE: 1122200 98.4899 231.354 88.8095 231.355 -22.1517 105.98 88.8093 105.98 120.706 GPRESSURE: 1122200 74.1721 106.669 41.0355 290.087 66.736 100.326 47.5037 36.4032 148.53 PRESSAVG: 1122200 -30.9346 24.0149 -25.5206 24.0149 52.1067 22.3782 -25.5207 22.3782 4.68549 GPRESSAVG: 1122200 -30.2473 23.8869 -27.153 26.0664 51.5389 21.4996 -22.8024 22.228 4.96929 TIMING: 1122200 CPU: 3500.95, 0.00313926/step Wall: 3500.95, 0.00313926/step, 3.3815 hours remaining, 234.050781 MB of memory in use. ENERGY: 1122200 3968.9436 20264.9995 14481.3217 261.4757 -203145.6747 2930.5736 0.0000 0.0000 52383.2951 -108855.0656 301.0475 -161238.3606 -108498.3161 299.4425 65.6815 96.4795 764090.0692 8.6192 8.7537 PRESSURE: 1122400 358.526 -33.535 -48.1872 -33.534 86.0746 -13.537 -48.1873 -13.5375 31.8514 GPRESSURE: 1122400 352.837 -80.8173 41.7763 -39.5591 178.536 10.2905 -237.4 20.4167 24.7115 PRESSAVG: 1122400 -32.3041 24.4744 20.5688 24.4745 -16.3819 24.1778 20.5687 24.1778 -16.1374 GPRESSAVG: 1122400 -33.1985 23.7267 21.6548 23.8723 -15.7226 25.4888 18.8558 23.9947 -15.8134 TIMING: 1122400 CPU: 3501.58, 0.00312509/step Wall: 3501.58, 0.00312509/step, 3.36607 hours remaining, 234.050781 MB of memory in use. ENERGY: 1122400 3919.1209 20683.1565 14440.4194 252.1832 -202999.3817 2744.6025 0.0000 0.0000 52097.4899 -108862.4092 299.4050 -160959.8991 -108499.5434 299.4149 158.8175 185.3613 763109.0727 -21.6078 -21.5782 PRESSURE: 1122600 3.84649 -29.7516 27.1751 -29.7517 -199.535 155.094 27.1753 155.095 -334.252 GPRESSURE: 1122600 -5.26349 69.7652 77.2324 16.2498 -150.439 199.561 -149.77 92.5312 -308.021 PRESSAVG: 1122600 51.3144 51.9523 6.10887 51.9523 13.0345 31.1742 6.10884 31.1743 -9.18814 GPRESSAVG: 1122600 50.9266 52.0084 6.69657 52.4124 13.3877 28.7948 9.43326 31.2468 -9.18761 TIMING: 1122600 CPU: 3502.21, 0.00314277/step Wall: 3502.21, 0.00314277/step, 3.38493 hours remaining, 234.050781 MB of memory in use. ENERGY: 1122600 4030.1924 20665.3143 14452.3906 251.0137 -202729.7228 2530.4698 0.0000 0.0000 51867.0781 -108933.2639 298.0808 -160800.3420 -108568.2974 299.5954 -176.6469 -154.5746 764390.3175 18.3869 18.3755 PRESSURE: 1122800 21.5151 133.247 -5.16867 133.247 -426.254 106.8 -5.16968 106.8 -42.5405 GPRESSURE: 1122800 -36.5488 -9.38934 28.3468 74.466 -255.979 64.7002 -110.776 152.287 -60.7431 PRESSAVG: 1122800 26.3907 23.4302 -2.42173 23.4303 4.03539 28.6352 -2.42167 28.635 -9.9385 GPRESSAVG: 1122800 25.6375 23.7998 -1.91887 21.4752 4.39928 28.1683 -6.21223 30.5322 -9.46693 TIMING: 1122800 CPU: 3502.84, 0.00315463/step Wall: 3502.84, 0.00315463/step, 3.39754 hours remaining, 234.050781 MB of memory in use. ENERGY: 1122800 4039.0971 20639.3761 14489.9211 243.3000 -202768.2486 2536.2606 0.0000 0.0000 52053.7271 -108766.5666 299.1535 -160820.2937 -108417.7926 299.5899 -149.0933 -117.7571 763692.2322 6.8292 6.8566 PRESSURE: 1123000 -200.14 -51.3337 -3.76695 -51.334 50.5067 -31.993 -3.76642 -31.9921 -201.212 GPRESSURE: 1123000 -185.743 -207.528 -21.4073 -49.2344 -51.7247 -3.80015 -8.5913 50.8936 -34.4117 PRESSAVG: 1123000 -61.5587 -1.35157 -67.8207 -1.3516 20.2627 5.97216 -67.8206 5.97213 5.89056 GPRESSAVG: 1123000 -60.5036 -1.19732 -67.0629 -0.280587 19.3287 6.33276 -65.0744 4.76879 5.86627 TIMING: 1123000 CPU: 3503.47, 0.00317327/step Wall: 3503.47, 0.00317327/step, 3.41743 hours remaining, 234.050781 MB of memory in use. ENERGY: 1123000 3996.4451 20593.0403 14355.3501 229.4905 -203020.2917 2780.3685 0.0000 0.0000 52095.8790 -108969.7183 299.3957 -161065.5973 -108606.3580 299.4544 -116.9483 -90.6266 765600.4491 -11.8018 -11.7696 PRESSURE: 1123200 -346.956 80.0759 -142.536 80.076 -106.857 251.763 -142.536 251.763 269.195 GPRESSURE: 1123200 -368.217 113.097 -107.623 128.051 0.499055 254.019 -78.7436 239.425 279.56 PRESSAVG: 1123200 -18.3303 12.0135 6.8743 12.0134 34.5528 23.6457 6.87427 23.6456 -17.9602 GPRESSAVG: 1123200 -17.9618 9.8244 6.23256 12.7179 34.5763 24.1793 4.06401 22.4512 -18.1802 TIMING: 1123200 CPU: 3504.11, 0.00317674/step Wall: 3504.11, 0.00317674/step, 3.421 hours remaining, 234.050781 MB of memory in use. ENERGY: 1123200 4050.0159 20435.1085 14442.1394 252.9382 -202846.2812 2687.8781 0.0000 0.0000 51864.6224 -109113.5786 298.0667 -160978.2010 -108749.5354 299.5207 -61.5394 -29.3860 764806.7120 -0.5792 -0.5219 PRESSURE: 1123400 246.334 266.286 36.6529 266.287 6.03413 26.4785 36.654 26.4786 -3.11879 GPRESSURE: 1123400 296.937 252.86 84.4076 263.551 13.2417 91.5166 129.1 41.9756 29.0635 PRESSAVG: 1123400 12.9271 -36.0249 45.5926 -36.025 -47.3656 51.2705 45.5926 51.2705 -5.26212 GPRESSAVG: 1123400 13.0936 -34.7314 44.4506 -38.565 -46.4332 51.2863 49.4004 51.4496 -6.16271 TIMING: 1123400 CPU: 3504.74, 0.00317811/step Wall: 3504.74, 0.00317811/step, 3.4223 hours remaining, 234.050781 MB of memory in use. ENERGY: 1123400 4021.4228 20534.1302 14454.0646 231.3280 -203170.8039 2981.3580 0.0000 0.0000 51944.3497 -109004.1507 298.5249 -160948.5003 -108637.3037 298.8083 83.0832 113.0809 764139.5648 -13.2336 -13.1674 PRESSURE: 1123600 -94.1658 -21.7941 -55.6082 -21.7941 -47.4466 -95.5363 -55.6077 -95.5362 13.9011 GPRESSURE: 1123600 -99.7111 -49.8164 -137.241 -163.008 -40.4823 -149.321 -59.9709 -176.983 76.1114 PRESSAVG: 1123600 -7.3775 -35.9411 31.2249 -35.941 67.9941 3.11918 31.2249 3.11917 2.79405 GPRESSAVG: 1123600 -9.3056 -35.668 29.0651 -32.0606 68.2219 3.64365 30.7591 2.04901 4.41281 TIMING: 1123600 CPU: 3505.37, 0.00313934/step Wall: 3505.37, 0.00313934/step, 3.38037 hours remaining, 234.050781 MB of memory in use. ENERGY: 1123600 4008.2645 20555.3768 14509.2026 244.7300 -202828.2059 2568.3685 0.0000 0.0000 51879.8771 -109062.3864 298.1544 -160942.2635 -108699.1336 299.4245 -42.5704 -21.3607 762429.8851 21.1369 21.1097 PRESSURE: 1123800 -24.0889 26.6406 157.79 26.641 -237.458 -181.774 157.791 -181.774 -600.575 GPRESSURE: 1123800 13.749 -41.3269 156.327 75.8059 -301.259 -126.862 118.877 -121.191 -489.053 PRESSAVG: 1123800 -14.1304 -5.09953 -25.18 -5.09943 14.5644 -23.4056 -25.18 -23.4056 5.8709 GPRESSAVG: 1123800 -12.1256 -6.13588 -23.7358 -7.60247 13.8908 -24.1116 -26.4027 -21.4181 4.21328 TIMING: 1123800 CPU: 3506, 0.00313514/step Wall: 3506, 0.00313514/step, 3.37568 hours remaining, 234.050781 MB of memory in use. ENERGY: 1123800 4037.6963 20760.5954 14484.1442 244.2174 -203210.8060 2701.7421 0.0000 0.0000 51865.9994 -109116.4113 298.0746 -160982.4107 -108752.8787 299.0872 -287.3737 -258.8543 763751.4964 2.1016 1.9928 PRESSURE: 1124000 -138.295 20.8733 -4.26704 20.8728 -32.4689 -47.4764 -4.26728 -47.4768 -144.244 GPRESSURE: 1124000 -113.84 60.9677 59.9356 86.9268 -54.4377 -106.942 -45.9619 -237.907 -65.1321 PRESSAVG: 1124000 -21.4179 -27.4961 4.69381 -27.496 47.9407 -22.878 4.69379 -22.878 -0.188785 GPRESSAVG: 1124000 -21.9968 -24.1316 6.94726 -27.8293 48.0999 -21.8607 3.23777 -23.973 0.0867192 TIMING: 1124000 CPU: 3506.62, 0.00312578/step Wall: 3506.62, 0.00312578/step, 3.36542 hours remaining, 234.050781 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: 1124000 4093.1669 20526.1294 14442.5707 244.9855 -203119.4772 2753.7563 0.0000 0.0000 51849.7616 -109209.1067 297.9813 -161058.8683 -108851.6871 299.1229 -105.0027 -77.8031 764455.4155 8.7780 8.7299 PRESSURE: 1124200 -140.394 21.8623 -68.4618 21.8639 -274.709 238.834 -68.4617 238.834 -261.362 GPRESSURE: 1124200 -81.021 -1.67331 -7.9509 68.9107 -266.795 267.923 -41.1481 47.9485 -239.8 PRESSAVG: 1124200 -0.394261 4.45944 -11.0443 4.45939 -3.8302 21.635 -11.0443 21.635 -22.8935 GPRESSAVG: 1124200 0.310401 1.95184 -11.7173 5.53407 -4.88105 20.378 -10.1749 22.4813 -22.6379 TIMING: 1124200 CPU: 3507.25, 0.00312958/step Wall: 3507.25, 0.00312958/step, 3.36934 hours remaining, 234.050781 MB of memory in use. ENERGY: 1124200 3970.0035 20316.1459 14472.8650 233.8906 -202790.6081 2432.9874 0.0000 0.0000 51988.7574 -109375.9581 298.7801 -161364.7155 -109015.0496 298.9311 -225.4885 -195.8722 763005.0304 -9.0393 -9.0695 LDB: ============= START OF LOAD BALANCING ============== 3519.73 LDB: ============== END OF LOAD BALANCING =============== 3519.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3519.73 LDB: ============= START OF LOAD BALANCING ============== 3520.06 LDB: Largest compute 7021 load 0.031540 is 16.2% of average load 0.194989 LDB: Average compute 0.004385 is 2.2% of average load 0.194989 LDB: TIME 3520.06 LOAD: AVG 0.194989 MAX 0.216048 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.594 MB LDB: TIME 3520.06 LOAD: AVG 0.194989 MAX 0.216048 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.754 MB LDB: TIME 3520.06 LOAD: AVG 0.194989 MAX 0.216048 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.754 MB LDB: ============== END OF LOAD BALANCING =============== 3520.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3520.07 PRESSURE: 1124400 24.3771 -4.19325 -68.1531 -4.19392 156.252 50.6925 -68.153 50.6935 -219.161 GPRESSURE: 1124400 24.5657 93.9193 21.3058 -51.191 215.935 -23.8551 -21.7312 61.6028 -188.777 PRESSAVG: 1124400 -40.827 -26.57 18.4269 -26.5699 33.9976 23.5726 18.427 23.5727 2.80833 GPRESSAVG: 1124400 -41.8992 -24.1013 16.3948 -28.7979 35.6777 24.1935 19.3185 23.3045 2.63162 TIMING: 1124400 CPU: 3507.9, 0.00325553/step Wall: 3507.9, 0.00325553/step, 3.50476 hours remaining, 234.562500 MB of memory in use. ENERGY: 1124400 3963.5126 20386.8110 14466.0490 250.4194 -203438.2922 2955.3468 0.0000 0.0000 51849.9093 -109566.2442 297.9821 -161416.1535 -109212.5047 298.3092 -12.8439 17.2412 764245.8428 -1.3403 -1.1967 PRESSURE: 1124600 -13.0434 94.5828 -81.0548 94.5823 494.705 357.638 -81.0549 357.637 343.76 GPRESSURE: 1124600 22.2204 37.7895 -145.314 57.0903 564.761 329.001 -9.97001 293.498 338.736 PRESSAVG: 1124600 -17.1971 -34.4516 26.409 -34.4516 59.6322 15.1055 26.409 15.1054 11.173 GPRESSAVG: 1124600 -17.2561 -36.6089 28.5722 -33.7914 58.9662 14.7916 24.6154 15.5571 11.6201 TIMING: 1124600 CPU: 3508.53, 0.00315268/step Wall: 3508.53, 0.00315268/step, 3.39386 hours remaining, 234.765625 MB of memory in use. ENERGY: 1124600 3977.1932 20487.7011 14421.8653 248.3332 -203709.2396 3183.5260 0.0000 0.0000 52107.5209 -109283.1000 299.4626 -161390.6209 -108919.4934 298.7926 275.1405 308.5726 762823.2360 17.8694 17.7768 PRESSURE: 1124800 -27.504 70.013 25.5535 70.0129 -127.676 -113.006 25.5532 -113.007 221.225 GPRESSURE: 1124800 -31.8529 4.23259 32.4393 129.578 -15.6439 -80.8167 11.8567 -79.8327 178.298 PRESSAVG: 1124800 34.29 29.3861 37.5116 29.3861 10.571 -6.36721 37.5115 -6.36724 -1.73282 GPRESSAVG: 1124800 33.5884 30.1355 36.0913 31.9121 10.6932 -4.53145 37.874 -8.78804 -2.11726 TIMING: 1124800 CPU: 3509.16, 0.00315823/step Wall: 3509.16, 0.00315823/step, 3.39966 hours remaining, 234.765625 MB of memory in use. ENERGY: 1124800 4012.7109 20575.6026 14480.2211 216.3056 -203471.1807 2917.0262 0.0000 0.0000 52054.1887 -109215.1256 299.1561 -161269.3143 -108849.2426 298.7487 22.0152 43.6005 763781.6732 14.3761 14.0548 PRESSURE: 1125000 -286.87 -1.08571 -281.648 -1.08559 23.0398 -45.417 -281.649 -45.4163 -658.914 GPRESSURE: 1125000 -227.22 55.5802 -273.349 39.7806 -3.96018 -106.73 -317.637 -133.134 -599.45 PRESSAVG: 1125000 -65.5214 -5.54364 -50.0852 -5.54369 34.1284 55.3688 -50.0852 55.3688 -21.427 GPRESSAVG: 1125000 -65.7129 -3.73067 -50.7671 -7.46963 33.8629 53.2522 -49.0635 58.0546 -20.9294 TIMING: 1125000 CPU: 3509.8, 0.00315814/step Wall: 3509.8, 0.00315814/step, 3.39939 hours remaining, 234.765625 MB of memory in use. ENERGY: 1125000 3960.3097 20467.7260 14417.4294 243.1562 -202827.5838 2477.5468 0.0000 0.0000 52159.9175 -109101.4981 299.7638 -161261.4156 -108728.3290 299.1378 -307.5816 -276.8768 766714.3151 -17.6067 -17.5931 PRESSURE: 1125200 -294.482 -208.248 9.54211 -208.25 -278.306 62.5319 9.54173 62.5323 -28.0784 GPRESSURE: 1125200 -263.018 -108.19 -44.4828 -196.194 -229.432 82.2652 7.92468 -1.05928 -33.4357 PRESSAVG: 1125200 33.3481 26.9345 -64.854 26.9345 -29.1548 14.0018 -64.854 14.0018 19.9414 GPRESSAVG: 1125200 33.8948 24.6854 -65.1154 28.1574 -29.1159 16.9191 -64.8728 13.1887 19.2524 TIMING: 1125200 CPU: 3510.43, 0.00314994/step Wall: 3510.43, 0.00314994/step, 3.39039 hours remaining, 234.765625 MB of memory in use. ENERGY: 1125200 4020.5877 20487.6087 14516.9971 254.7369 -202932.9700 2623.1548 0.0000 0.0000 51983.0367 -109046.8480 298.7472 -161029.8847 -108683.4783 299.2526 -200.2888 -175.2952 766493.7687 8.0449 8.0104 PRESSURE: 1125400 348.295 149.492 -67.1636 149.491 -132.99 -116.225 -67.1647 -116.225 125.853 GPRESSURE: 1125400 345.426 67.5824 -12.5629 147.498 -36.6509 -49.0662 85.172 -183.92 107.182 PRESSAVG: 1125400 6.603 14.0849 -35.1329 14.085 25.7099 56.9093 -35.1328 56.9093 15.9154 GPRESSAVG: 1125400 7.02476 13.459 -33.1939 15.9938 25.8655 53.354 -34.9273 58.4033 15.2352 TIMING: 1125400 CPU: 3511.05, 0.00314105/step Wall: 3511.05, 0.00314105/step, 3.38065 hours remaining, 234.765625 MB of memory in use. ENERGY: 1125400 4005.2465 20582.5565 14400.6854 230.9988 -203785.9454 3049.1408 0.0000 0.0000 52496.2395 -109021.0777 301.6966 -161517.3172 -108656.1056 300.0196 113.7196 138.6523 762584.6247 16.0761 16.0418 PRESSURE: 1125600 117.384 -171.804 223.852 -171.804 258.999 -11.2254 223.852 -11.2254 -23.7456 GPRESSURE: 1125600 217.379 -205.27 184.496 -204.516 222.222 1.82597 77.6983 -79.3885 7.47928 PRESSAVG: 1125600 48.0334 -11.2935 -12.8083 -11.2935 -3.29791 10.2723 -12.8084 10.2722 12.9495 GPRESSAVG: 1125600 46.8925 -9.83027 -16.0354 -14.871 -2.73973 11.435 -12.9237 10.3652 13.1969 TIMING: 1125600 CPU: 3511.68, 0.00315403/step Wall: 3511.68, 0.00315403/step, 3.39444 hours remaining, 234.765625 MB of memory in use. ENERGY: 1125600 3906.4216 20661.8312 14395.6024 243.9473 -203185.1255 2848.5373 0.0000 0.0000 52223.7934 -108904.9922 300.1309 -161128.7856 -108544.5545 299.8794 117.5458 149.0268 763569.6304 19.2283 19.1166 PRESSURE: 1125800 -94.3212 -104.715 -54.8812 -104.716 -162.978 -180.707 -54.8817 -180.708 -270.755 GPRESSURE: 1125800 -117.405 -121.384 0.824971 -52.685 -135.181 -180.882 -114.95 -128.536 -189.542 PRESSAVG: 1125800 -0.94477 10.8582 -37.4632 10.8582 41.3775 20.5174 -37.4632 20.5174 -11.3661 GPRESSAVG: 1125800 -1.3516 10.7874 -34.893 12.2462 41.569 21.2805 -36.2023 19.9046 -10.5484 TIMING: 1125800 CPU: 3512.31, 0.00315126/step Wall: 3512.31, 0.00315126/step, 3.39128 hours remaining, 234.765625 MB of memory in use. ENERGY: 1125800 4088.1521 20389.7280 14434.1560 237.1906 -203073.0309 2718.7950 0.0000 0.0000 51991.6679 -109213.3413 298.7968 -161205.0092 -108846.9971 299.7198 -176.0181 -147.3759 764392.8071 9.6888 9.8897 PRESSURE: 1126000 -151.988 161.964 6.57258 161.965 -49.0795 -12.5394 6.57271 -12.5396 -229.199 GPRESSURE: 1126000 -219.651 75.6483 13.5005 189.822 5.29337 5.58884 -82.2126 66.3462 -140.707 PRESSAVG: 1126000 -38.5454 2.50963 7.45158 2.50965 22.513 -13.0847 7.45153 -13.0847 10.9544 GPRESSAVG: 1126000 -36.9264 4.44785 7.94287 1.07725 21.1892 -14.0061 5.99706 -12.0732 10.7368 TIMING: 1126000 CPU: 3512.94, 0.00313367/step Wall: 3512.94, 0.00313367/step, 3.37218 hours remaining, 234.765625 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: 1126000 3971.9324 20542.4193 14477.6871 243.9251 -202682.0820 2571.3143 0.0000 0.0000 51781.1091 -109093.6947 297.5867 -160874.8038 -108731.4585 298.8677 -143.4223 -118.3549 762984.6556 -1.6927 -1.6668 PRESSURE: 1126200 -308.805 -125.705 -8.1785 -125.704 -114.408 -53.8876 -8.178 -53.8874 -169.441 GPRESSURE: 1126200 -239.707 -30.1491 -6.60623 -138.063 -93.1219 -62.3816 39.9214 -14.0083 -192.947 PRESSAVG: 1126200 -73.5281 -2.79178 12.8428 -2.79171 85.8446 -9.7783 12.8428 -9.77837 -1.46138 GPRESSAVG: 1126200 -73.928 -5.47279 12.1887 -1.81022 86.0462 -9.15432 13.2 -10.2343 -0.616894 TIMING: 1126200 CPU: 3513.57, 0.00314901/step Wall: 3513.57, 0.00314901/step, 3.38851 hours remaining, 234.765625 MB of memory in use. ENERGY: 1126200 3971.7713 20481.9481 14508.4255 252.1249 -202855.3210 2419.4273 0.0000 0.0000 52101.0957 -109120.5282 299.4257 -161221.6238 -108752.4282 298.7313 -197.5514 -175.2586 763866.0336 3.6184 3.8338 PRESSURE: 1126400 -121.057 34.1924 -54.671 34.1917 -48.3513 -25.7286 -54.6712 -25.7297 -170.344 GPRESSURE: 1126400 5.35254 -39.0266 -50.6364 18.7184 -108.702 -61.786 2.86842 -27.3861 -147.679 PRESSAVG: 1126400 26.3716 23.1649 39.3029 23.1648 6.01431 19.8334 39.303 19.8335 -29.054 GPRESSAVG: 1126400 27.581 24.4726 38.6169 23.8952 5.32398 20.2652 40.4972 20.1929 -29.6447 TIMING: 1126400 CPU: 3514.2, 0.00313702/step Wall: 3514.2, 0.00313702/step, 3.37543 hours remaining, 234.765625 MB of memory in use. ENERGY: 1126400 4000.8930 20585.1313 14437.0947 243.8927 -203319.3874 2501.1905 0.0000 0.0000 52120.9269 -109430.2583 299.5397 -161551.1852 -109067.1227 298.9764 -113.2509 -83.6761 761751.3822 1.1107 1.0868 PRESSURE: 1126600 -305.275 -246.529 -308.257 -246.53 -24.9214 -99.6523 -308.259 -99.6519 -503.99 GPRESSURE: 1126600 -210.37 -127.999 -286.061 -164.162 -44.7048 55.4943 -197.585 -83.5593 -504.576 PRESSAVG: 1126600 -30.9865 50.6922 -12.5895 50.6921 46.1356 35.9754 -12.5895 35.9755 3.12637 GPRESSAVG: 1126600 -31.9641 49.6692 -13.5602 50.5542 47.1441 37.5274 -13.7063 34.4935 2.64017 TIMING: 1126600 CPU: 3514.83, 0.00313494/step Wall: 3514.83, 0.00313494/step, 3.37302 hours remaining, 234.765625 MB of memory in use. ENERGY: 1126600 4012.7663 20558.8510 14442.5587 257.6031 -203049.6523 2377.9595 0.0000 0.0000 52113.3913 -109286.5224 299.4964 -161399.9136 -108924.4311 298.6948 -278.0620 -253.2170 763055.8399 6.0918 5.9401 PRESSURE: 1126800 -72.4214 157.274 39.4554 157.275 -285.5 -33.5861 39.4553 -33.586 -169.242 GPRESSURE: 1126800 -53.6823 209.314 22.2431 28.2858 -208.787 -108.302 60.4857 49.0692 -178.236 PRESSAVG: 1126800 -6.17934 34.4927 -21.3529 34.4926 -43.6871 59.0323 -21.3529 59.0323 12.3468 GPRESSAVG: 1126800 -5.5699 34.046 -21.0028 35.4373 -44.2966 56.9458 -21.3851 59.9736 12.6417 TIMING: 1126800 CPU: 3515.45, 0.00313759/step Wall: 3515.45, 0.00313759/step, 3.3757 hours remaining, 234.765625 MB of memory in use. ENERGY: 1126800 3895.9720 20539.2350 14454.2697 231.6729 -203168.7755 2725.1147 0.0000 0.0000 51989.4653 -109333.0458 298.7842 -161322.5111 -108971.2091 299.1716 -175.7213 -146.9017 761996.2155 -12.5065 -12.4083 PRESSURE: 1127000 -219.786 -184.44 -234.629 -184.439 -114.779 143.608 -234.629 143.608 -102.104 GPRESSURE: 1127000 -258.476 -169.128 -199.739 -40.2833 14.7036 120.824 -119.918 2.45035 -113.128 PRESSAVG: 1127000 -71.7452 11.5683 3.20704 11.5682 36.4038 48.7324 3.20708 48.7324 -7.73506 GPRESSAVG: 1127000 -72.0631 13.8882 3.4464 10.6174 36.1671 47.4924 3.26326 48.6011 -7.09528 TIMING: 1127000 CPU: 3516.08, 0.00313713/step Wall: 3516.08, 0.00313713/step, 3.37503 hours remaining, 234.765625 MB of memory in use. ENERGY: 1127000 3911.5061 20439.3308 14498.7586 256.6813 -202839.3624 2431.9300 0.0000 0.0000 52052.1935 -109248.9620 299.1447 -161301.1555 -108885.7842 298.4764 -145.5564 -118.9666 761632.3295 -14.3588 -14.3304 PRESSURE: 1127200 395.744 3.39622 171.785 3.39697 -116.933 58.6898 171.786 58.6897 570.003 GPRESSURE: 1127200 424.242 36.8527 123.688 -74.9115 -44.0402 94.5701 111.593 -48.7222 562.276 PRESSAVG: 1127200 -34.3922 -8.80289 41.5681 -8.80289 21.0658 29.8785 41.5682 29.8786 -1.11976 GPRESSAVG: 1127200 -34.6931 -9.22568 41.7777 -9.18083 21.9509 31.5461 41.5431 27.2156 -1.38364 TIMING: 1127200 CPU: 3516.7, 0.00312021/step Wall: 3516.7, 0.00312021/step, 3.35666 hours remaining, 234.765625 MB of memory in use. ENERGY: 1127200 3890.3240 20359.7107 14406.6019 248.6444 -203203.5747 2907.5826 0.0000 0.0000 52166.3755 -109224.3355 299.8009 -161390.7111 -108844.9916 299.1794 282.9378 314.1593 761523.4392 -4.8154 -4.7086 PRESSURE: 1127400 -47.3679 293.385 183.662 293.385 254.877 -68.8098 183.663 -68.8097 517.326 GPRESSURE: 1127400 -18.3052 269.8 164.116 241.445 351.573 -107.075 230.192 -68.0937 467.26 PRESSAVG: 1127400 19.1449 32.058 11.9882 32.058 13.0064 -13.2201 11.9882 -13.2201 -35.0558 GPRESSAVG: 1127400 18.9888 30.4064 11.9373 32.7854 12.8982 -12.6339 11.9338 -10.1265 -34.82 TIMING: 1127400 CPU: 3517.33, 0.00312293/step Wall: 3517.33, 0.00312293/step, 3.35941 hours remaining, 234.765625 MB of memory in use. ENERGY: 1127400 3906.7630 20430.4497 14376.9741 266.0776 -203350.2119 3007.2626 0.0000 0.0000 52259.1125 -109103.5725 300.3338 -161362.6850 -108738.4680 298.5181 241.6115 266.8427 762410.9461 -0.9682 -0.9777 PRESSURE: 1127600 -99.0155 -17.8743 79.6306 -17.8752 76.3304 201.29 79.6316 201.29 -73.219 GPRESSURE: 1127600 -125.592 -52.6095 56.1823 -46.2011 260.996 165.98 0.999375 219.989 -144.653 PRESSAVG: 1127600 -77.6719 31.5243 18.1658 31.5243 36.3888 16.0614 18.1658 16.0614 -7.49759 GPRESSAVG: 1127600 -77.3739 32.3351 18.1494 31.034 37.3601 15.5024 17.413 16.7321 -9.31965 TIMING: 1127600 CPU: 3517.96, 0.00314063/step Wall: 3517.96, 0.00314063/step, 3.37827 hours remaining, 234.765625 MB of memory in use. ENERGY: 1127600 3953.9648 20479.8447 14389.7586 242.2190 -202859.7468 2920.8883 0.0000 0.0000 51930.7717 -108942.2998 298.4469 -160873.0714 -108579.1191 298.8563 -31.9680 -3.0830 764635.7677 -16.2602 -16.4445 PRESSURE: 1127800 -6.13855 -217.011 -126.468 -217.011 164.84 -134.803 -126.467 -134.803 243.215 GPRESSURE: 1127800 46.8621 -255.652 -133.248 -224.269 115.18 -161.567 -107.235 -198.574 330.61 PRESSAVG: 1127800 -17.9732 39.2648 -22.0819 39.2648 16.2751 -13.1864 -22.0819 -13.1864 9.65809 GPRESSAVG: 1127800 -18.1891 38.4962 -21.0796 40.1514 14.7635 -14.1047 -23.779 -14.3428 11.4214 TIMING: 1127800 CPU: 3518.59, 0.00314479/step Wall: 3518.59, 0.00314479/step, 3.38257 hours remaining, 234.765625 MB of memory in use. ENERGY: 1127800 3983.3967 20576.1235 14491.4342 239.7056 -203570.1352 3181.6709 0.0000 0.0000 52139.7494 -108958.0548 299.6479 -161097.8042 -108597.2219 299.3965 133.9723 164.2171 763339.7188 2.6533 2.6652 PRESSURE: 1128000 -9.90228 219.532 42.2544 219.532 18.4649 -38.8059 42.2547 -38.807 288.846 GPRESSURE: 1128000 35.0558 125.834 44.0156 236.658 41.5964 -46.2804 10.0387 98.0321 292.691 PRESSAVG: 1128000 14.3935 46.7875 -21.9283 46.7875 -16.7933 36.449 -21.9284 36.4491 18.5261 GPRESSAVG: 1128000 14.5557 45.4091 -21.9268 47.0003 -16.7777 38.5112 -21.0613 35.8249 18.2306 TIMING: 1128000 CPU: 3519.21, 0.00314509/step Wall: 3519.21, 0.00314509/step, 3.38272 hours remaining, 234.765625 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: 1128000 3941.7417 20515.4747 14448.6101 243.5135 -203593.6587 3094.0152 0.0000 0.0000 52320.1593 -109030.1442 300.6847 -161350.3035 -108671.3471 299.6286 99.1362 123.1145 764473.2517 5.3754 5.3362 PRESSURE: 1128200 -56.2596 -56.8327 -80.895 -56.833 -113.298 -31.4917 -80.8952 -31.4916 171.171 GPRESSURE: 1128200 -22.7327 -34.6282 -49.9435 -21.2609 -17.3948 -98.641 -142.217 25.8976 107.805 PRESSAVG: 1128200 -52.9745 46.3695 -50.2328 46.3694 44.6122 -47.4685 -50.2328 -47.4685 8.81755 GPRESSAVG: 1128200 -53.5849 48.4197 -51.3743 44.9504 45.5163 -48.7209 -51.4954 -47.8861 8.7263 TIMING: 1128200 CPU: 3519.85, 0.00316026/step Wall: 3519.85, 0.00316026/step, 3.39886 hours remaining, 234.765625 MB of memory in use. ENERGY: 1128200 4021.1159 20499.3616 14469.1794 267.0988 -202934.6076 2794.4089 0.0000 0.0000 52001.6835 -108881.7594 298.8544 -160883.4429 -108512.0053 299.1420 0.5375 22.5591 764591.6359 0.1518 0.2193 LDB: ============= START OF LOAD BALANCING ============== 3532.33 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3532.33 LDB: =============== DONE WITH MIGRATION ================ 3532.33 LDB: ============= START OF LOAD BALANCING ============== 3532.65 LDB: Largest compute 6972 load 0.033310 is 17.1% of average load 0.195029 LDB: Average compute 0.004377 is 2.2% of average load 0.195029 LDB: TIME 3532.65 LOAD: AVG 0.195029 MAX 0.217046 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.312 MB LDB: TIME 3532.65 LOAD: AVG 0.195029 MAX 0.217046 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.312 MB LDB: TIME 3532.65 LOAD: AVG 0.195029 MAX 0.217046 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.312 MB LDB: ============== END OF LOAD BALANCING =============== 3532.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3532.66 PRESSURE: 1128400 -126.052 -10.6351 21.2184 -10.6349 87.2727 77.255 21.2175 77.2551 -363.647 GPRESSURE: 1128400 -32.5997 -135.056 60.5783 26.3959 56.1022 87.379 -95.7986 19.8888 -342.093 PRESSAVG: 1128400 -51.6392 28.6014 -19.2776 28.6015 47.863 4.39481 -19.2776 4.3948 12.4684 GPRESSAVG: 1128400 -50.598 28.5299 -20.3249 27.8885 47.0627 4.17485 -16.5381 5.68457 12.3966 TIMING: 1128400 CPU: 3520.49, 0.00322168/step Wall: 3520.49, 0.00322168/step, 3.46473 hours remaining, 233.539062 MB of memory in use. ENERGY: 1128400 4000.2314 20514.7281 14462.5137 239.5144 -203029.0153 2819.5075 0.0000 0.0000 52077.9698 -108914.5505 299.2928 -160992.5202 -108556.7357 299.5695 -134.1421 -106.1968 763188.5044 2.8974 2.9538 PRESSURE: 1128600 -321.096 -292.482 302.002 -292.481 -15.8475 -47.065 302.003 -47.0649 -120.041 GPRESSURE: 1128600 -232.066 -266.235 244.768 -174.786 -30.4596 -10.6814 183.284 -119.864 -128.043 PRESSAVG: 1128600 -31.0328 -1.58661 13.0811 -1.58655 23.2819 -32.3567 13.0811 -32.3567 -16.8125 GPRESSAVG: 1128600 -29.8434 -3.17593 13.8656 -0.359747 22.0421 -34.2846 11.3595 -32.0418 -16.9305 TIMING: 1128600 CPU: 3521.12, 0.0031421/step Wall: 3521.12, 0.0031421/step, 3.37898 hours remaining, 233.539062 MB of memory in use. ENERGY: 1128600 4089.8880 20523.4255 14427.0347 245.7274 -202916.5632 2697.7017 0.0000 0.0000 52070.3070 -108862.4789 299.2488 -160932.7859 -108501.4669 299.5391 -152.3282 -130.1895 764543.8998 -8.1878 -8.2439 PRESSURE: 1128800 193.994 76.6347 61.313 76.6345 -36.42 -53.5406 61.3134 -53.5393 139.205 GPRESSURE: 1128800 212.718 115.26 -37.2362 123.08 1.86878 -84.0733 -8.28914 -136.266 168.088 PRESSAVG: 1128800 -33.1181 -11.907 -29.182 -11.907 17.5791 -15.3369 -29.182 -15.3368 5.07917 GPRESSAVG: 1128800 -33.9824 -11.0755 -29.6497 -12.5369 19.063 -15.1061 -29.2706 -17.2552 5.46188 TIMING: 1128800 CPU: 3521.74, 0.00312275/step Wall: 3521.74, 0.00312275/step, 3.35799 hours remaining, 233.539062 MB of memory in use. ENERGY: 1128800 4063.7296 20571.1103 14440.3895 259.9750 -203450.8900 2963.5319 0.0000 0.0000 52226.1409 -108926.0128 300.1443 -161152.1537 -108572.3739 299.3819 98.9264 127.5584 763590.2196 -3.4866 -3.1525 PRESSURE: 1129000 -222.874 -65.0953 112.589 -65.0957 -194.799 -192.15 112.589 -192.15 228.984 GPRESSURE: 1129000 -141.283 -117.968 122.623 -106.346 -134.924 -150.54 69.3158 -109.519 176.213 PRESSAVG: 1129000 52.8795 12.038 -12.9476 12.038 -6.82435 -46.52 -12.9476 -46.52 -17.3543 GPRESSAVG: 1129000 52.0346 10.7263 -11.4055 12.6711 -4.83808 -45.5937 -14.3053 -44.5455 -18.6578 TIMING: 1129000 CPU: 3522.37, 0.00315238/step Wall: 3522.37, 0.00315238/step, 3.38968 hours remaining, 233.539062 MB of memory in use. ENERGY: 1129000 3991.5814 20715.5410 14431.8773 249.2432 -202644.8936 2640.9246 0.0000 0.0000 51747.8957 -108867.8303 297.3959 -160615.7260 -108514.5230 299.7875 -62.8962 -33.3313 764280.9935 9.5670 9.5129 PRESSURE: 1129200 -119.912 -148.424 74.502 -148.424 2.99379 -145.344 74.5022 -145.345 4.01558 GPRESSURE: 1129200 19.6983 -125.095 39.746 -175.138 -127.98 -115.662 84.6496 -7.31434 59.2961 PRESSAVG: 1129200 -59.2443 -21.8236 38.0253 -21.8236 21.9469 -14.9697 38.0254 -14.9697 33.892 GPRESSAVG: 1129200 -58.8528 -20.6244 36.6249 -22.1168 20.0321 -14.0228 41.3449 -15.6707 34.9351 TIMING: 1129200 CPU: 3523, 0.00313616/step Wall: 3523, 0.00313616/step, 3.37207 hours remaining, 233.539062 MB of memory in use. ENERGY: 1129200 3952.7762 20668.1680 14437.1627 234.1494 -203068.4657 2729.6068 0.0000 0.0000 52018.7919 -109027.8107 298.9527 -161046.6025 -108673.0731 299.5395 -37.6344 -16.3286 761644.6672 -1.1351 -1.2952 PRESSURE: 1129400 202.232 55.2852 300.623 55.2854 36.1859 -101.694 300.622 -101.695 -397.76 GPRESSURE: 1129400 262.583 24.8485 282.402 100.96 43.7209 -91.5244 277.44 -111.008 -386.978 PRESSAVG: 1129400 -37.7247 49.5489 95.017 49.5489 67.4055 -21.8286 95.0171 -21.8286 -2.72855 GPRESSAVG: 1129400 -37.611 49.9937 94.917 48.1907 66.0641 -20.4426 93.0742 -21.5516 -1.94371 TIMING: 1129400 CPU: 3523.63, 0.00313574/step Wall: 3523.63, 0.00313574/step, 3.37145 hours remaining, 233.539062 MB of memory in use. ENERGY: 1129400 4003.6526 20621.4181 14442.4140 242.0347 -202948.5135 2589.4583 0.0000 0.0000 51963.5684 -109085.9673 298.6353 -161049.5357 -108727.1334 299.4232 -53.1141 -26.8914 763588.1053 8.9841 8.8365 PRESSURE: 1129600 -32.236 81.9371 132.514 81.9355 77.347 -42.0814 132.515 -42.0807 98.2296 GPRESSURE: 1129600 -104.738 256.727 126.515 26.4072 268.806 -50.8618 222.267 -50.836 64.8371 PRESSAVG: 1129600 -28.7665 53.1224 69.7497 53.1224 24.2405 -24.0928 69.7497 -24.0927 12.0766 GPRESSAVG: 1129600 -28.5846 53.3266 68.4673 55.5792 25.4818 -25.9324 71.7695 -23.7947 10.4206 TIMING: 1129600 CPU: 3524.26, 0.00314993/step Wall: 3524.26, 0.00314993/step, 3.38652 hours remaining, 233.539062 MB of memory in use. ENERGY: 1129600 4043.3212 20515.0042 14480.7019 255.0606 -203610.3553 3113.8608 0.0000 0.0000 52141.7438 -109060.6627 299.6593 -161202.4065 -108693.0940 299.6339 47.7802 76.3017 763467.6167 2.5169 2.4393 PRESSURE: 1129800 26.6798 269.696 -41.5414 269.695 -220.051 175.882 -41.5413 175.882 -292.903 GPRESSURE: 1129800 14.2869 251.514 16.0606 279.593 -136.837 216.654 0.547403 24.6916 -269.751 PRESSAVG: 1129800 -61.7799 80.1942 -12.9316 80.1942 29.3328 -30.8624 -12.9316 -30.8624 -0.0404575 GPRESSAVG: 1129800 -62.643 79.7547 -11.7179 79.2538 29.5356 -30.4021 -13.3378 -30.6756 0.617429 TIMING: 1129800 CPU: 3524.89, 0.00317168/step Wall: 3524.89, 0.00317168/step, 3.40973 hours remaining, 233.539062 MB of memory in use. ENERGY: 1129800 4076.0313 20648.3126 14522.9693 255.0418 -202995.4481 2654.0587 0.0000 0.0000 51884.9365 -108954.0978 298.1834 -160839.0343 -108605.2860 299.3510 -162.0915 -130.7671 764871.9454 -10.8292 -10.8300 PRESSURE: 1130000 -313.091 -116.011 -92.654 -116.011 128.26 98.0463 -92.6539 98.0466 -293.492 GPRESSURE: 1130000 -267.732 -30.7799 -141.749 -101.76 85.25 123.418 -77.5835 111.387 -216.371 PRESSAVG: 1130000 20.4878 40.819 62.325 40.819 41.1362 21.5402 62.3249 21.5402 21.5346 GPRESSAVG: 1130000 22.8751 40.3478 62.3371 40.8617 40.3959 21.3875 61.7189 21.9183 20.2073 TIMING: 1130000 CPU: 3525.53, 0.00316075/step Wall: 3525.53, 0.00316075/step, 3.39781 hours remaining, 233.539062 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: 1130000 4043.5863 20606.5051 14519.3026 255.1622 -203106.4572 2863.2124 0.0000 0.0000 52106.5264 -108712.1622 299.4569 -160818.6886 -108350.7741 300.1468 -159.4410 -132.9511 763719.4427 27.7195 27.8261 PRESSURE: 1130200 -108.376 207.219 -80.5055 207.218 -233.872 -232.116 -80.5062 -232.116 -200.85 GPRESSURE: 1130200 -113.461 219.485 -79.6053 211.818 -168.991 -208.109 -78.597 -249.781 -196.751 PRESSAVG: 1130200 28.9417 -59.6621 39.389 -59.6622 -7.28449 13.0788 39.3889 13.0788 -14.7607 GPRESSAVG: 1130200 26.4257 -59.0029 39.6925 -59.8624 -6.96303 14.3435 41.671 12.1731 -13.036 TIMING: 1130200 CPU: 3526.15, 0.00313246/step Wall: 3526.15, 0.00313246/step, 3.36722 hours remaining, 233.539062 MB of memory in use. ENERGY: 1130200 4013.5805 20489.4707 14546.8625 247.7440 -203055.0228 2667.6207 0.0000 0.0000 52076.7498 -109012.9947 299.2858 -161089.7445 -108656.0379 299.7295 -181.0326 -159.7342 763338.1018 2.2988 2.1422 PRESSURE: 1130400 83.1598 -79.4319 20.6591 -79.4318 -347.991 101.759 20.6576 101.759 -444.938 GPRESSURE: 1130400 -36.6417 89.2045 16.8448 -116.316 -145.433 107.475 78.9083 55.2235 -440.074 PRESSAVG: 1130400 -66.0204 -6.2192 -59.8633 -6.2192 70.1669 42.3111 -59.8633 42.3112 -31.0459 GPRESSAVG: 1130400 -64.4341 -6.33667 -59.8558 -5.32569 70.0334 40.004 -62.6063 44.3629 -32.0799 TIMING: 1130400 CPU: 3526.78, 0.00312257/step Wall: 3526.78, 0.00312257/step, 3.35641 hours remaining, 233.539062 MB of memory in use. ENERGY: 1130400 4104.9034 20411.9260 14443.6844 237.5889 -203112.0565 2887.9753 0.0000 0.0000 51976.3269 -109049.6516 298.7087 -161025.9785 -108689.2566 298.9690 -236.5898 -207.3828 762264.3661 -8.9665 -8.8269 PRESSURE: 1130600 -89.8495 -110.229 -301.83 -110.228 -11.9328 -57.0937 -301.83 -57.0936 -107.295 GPRESSURE: 1130600 -46.9163 -176.846 -296.115 -91.1375 47.4121 39.8498 -224.839 -93.8938 -127.415 PRESSAVG: 1130600 -60.1164 -16.4428 -64.0709 -16.4428 48.188 38.1011 -64.0709 38.1011 -17.3514 GPRESSAVG: 1130600 -59.7875 -16.9398 -65.1669 -17.314 49.3644 41.0178 -63.2334 36.7128 -18.1097 TIMING: 1130600 CPU: 3527.41, 0.00315403/step Wall: 3527.41, 0.00315403/step, 3.39006 hours remaining, 233.539062 MB of memory in use. ENERGY: 1130600 3932.3041 20739.9962 14397.4588 236.5072 -203551.2281 3013.2763 0.0000 0.0000 52138.8490 -109092.8366 299.6427 -161231.6856 -108742.0921 299.6100 -69.6924 -42.3065 762605.0450 -9.7599 -9.5109 PRESSURE: 1130800 211.968 -132.709 -119.099 -132.709 -411.013 -3.49257 -119.099 -3.49249 -194.231 GPRESSURE: 1130800 160.225 -73.4994 -96.5505 -110.224 -228.966 -172.976 -72.2313 20.1115 -227.567 PRESSAVG: 1130800 -52.1999 -10.5565 37.4153 -10.5565 82.6486 22.7639 37.4153 22.7639 24.6727 GPRESSAVG: 1130800 -51.7995 -11.4727 38.2767 -8.81194 82.7649 22.6214 37.4931 25.2555 24.0837 TIMING: 1130800 CPU: 3528.04, 0.003151/step Wall: 3528.04, 0.003151/step, 3.38663 hours remaining, 233.539062 MB of memory in use. ENERGY: 1130800 3953.7902 20628.0342 14413.9099 256.1016 -203101.9838 2725.4092 0.0000 0.0000 52040.1503 -109084.5884 299.0755 -161124.7387 -108725.0918 299.2186 -131.0920 -98.7694 762147.9929 18.3738 18.3497 PRESSURE: 1131000 -118.384 -14.8488 -107.825 -14.8497 -29.0289 -305.151 -107.825 -305.151 103.731 GPRESSURE: 1131000 -22.94 -39.8502 -169.085 -124.527 -40.2696 -192.406 -97.1208 -215.097 88.0375 PRESSAVG: 1131000 -17.6234 -7.06266 5.96186 -7.06263 12.5342 3.59328 5.96184 3.59321 -3.2352 GPRESSAVG: 1131000 -18.7339 -6.09247 5.58862 -9.13759 11.8565 4.40915 4.94732 1.45895 -1.34647 TIMING: 1131000 CPU: 3528.67, 0.00314307/step Wall: 3528.67, 0.00314307/step, 3.37793 hours remaining, 233.539062 MB of memory in use. ENERGY: 1131000 3916.4215 20695.0383 14490.6222 245.8363 -203264.6004 2757.4225 0.0000 0.0000 52221.8802 -108937.3793 300.1199 -161159.2595 -108574.8686 299.3015 -14.5608 8.2760 761167.1130 -2.7748 -2.7413 PRESSURE: 1131200 115.214 73.4174 44.6913 73.4181 84.0524 136.896 44.6914 136.896 182.833 GPRESSURE: 1131200 135.678 -91.6905 16.8109 88.4537 141.306 159.534 48.6241 -16.4243 177.515 PRESSAVG: 1131200 -32.3481 -19.0828 6.38256 -19.0828 -7.57312 -36.6755 6.38252 -36.6755 20.8323 GPRESSAVG: 1131200 -31.1003 -19.6533 6.15407 -18.6313 -7.60721 -39.429 7.74957 -37.4675 19.855 TIMING: 1131200 CPU: 3529.29, 0.0031385/step Wall: 3529.29, 0.0031385/step, 3.37284 hours remaining, 233.539062 MB of memory in use. ENERGY: 1131200 4003.5268 20628.9755 14463.3230 258.3856 -203207.5723 3106.4207 0.0000 0.0000 52046.8450 -108700.0957 299.1139 -160746.9407 -108332.8619 299.9290 127.3665 151.4999 761568.4371 -6.3630 -6.2842 PRESSURE: 1131400 123.187 -123.016 94.124 -123.018 -33.1223 235.768 94.1251 235.77 299.88 GPRESSURE: 1131400 140.216 -100.834 24.9692 -42.0291 59.3949 155.33 78.9488 167.852 276.857 PRESSAVG: 1131400 -0.00842759 36.7741 -21.6588 36.7742 -30.4818 -7.79875 -21.6588 -7.79872 4.23467 GPRESSAVG: 1131400 0.197475 37.0519 -22.8635 37.7219 -30.7058 -7.12949 -21.6284 -7.0887 3.77455 TIMING: 1131400 CPU: 3529.92, 0.00313152/step Wall: 3529.92, 0.00313152/step, 3.36517 hours remaining, 233.539062 MB of memory in use. ENERGY: 1131400 3984.2044 20517.0994 14457.9988 248.8196 -202736.5524 2688.9265 0.0000 0.0000 52197.4401 -108642.0635 299.9794 -160839.5037 -108277.2638 300.2561 129.9816 158.8227 763615.1664 -8.7519 -8.9112 PRESSURE: 1131600 85.4266 -161.708 -219.98 -161.709 28.8964 105.229 -219.98 105.228 -237.923 GPRESSURE: 1131600 109.722 -158.459 -239.837 -160.922 35.6893 29.8366 -262.108 100.079 -200.706 PRESSAVG: 1131600 4.10044 30.7107 -16.2794 30.7107 -11.6728 9.47813 -16.2795 9.47802 0.260294 GPRESSAVG: 1131600 4.13021 31.6667 -15.6944 27.8345 -11.1178 8.19553 -16.6899 11.8084 -0.235419 TIMING: 1131600 CPU: 3530.55, 0.00315263/step Wall: 3530.55, 0.00315263/step, 3.38768 hours remaining, 233.539062 MB of memory in use. ENERGY: 1131600 4033.5325 20458.9226 14445.8738 250.9112 -203401.7070 3264.1454 0.0000 0.0000 52605.3257 -108342.9958 302.3235 -160948.3216 -107986.4276 300.7237 -41.2000 -18.4315 764348.0536 -2.4373 -2.4077 PRESSURE: 1131800 -113.478 85.0783 -46.8148 85.079 -7.55551 139.35 -46.814 139.35 -730.432 GPRESSURE: 1131800 -5.1721 127.684 -38.9238 51.9516 -0.878006 145.05 89.8243 118.45 -769.547 PRESSAVG: 1131800 -55.355 25.9498 -17.3351 25.9498 39.7114 49.0343 -17.3351 49.0342 -5.93143 GPRESSAVG: 1131800 -55.8279 24.011 -16.3989 28.6269 38.7982 51.6786 -14.8028 46.6557 -3.89243 TIMING: 1131800 CPU: 3531.18, 0.00312856/step Wall: 3531.18, 0.00312856/step, 3.36164 hours remaining, 233.539062 MB of memory in use. ENERGY: 1131800 3988.5380 20595.6827 14539.6095 235.4240 -202934.0308 2904.8210 0.0000 0.0000 52268.5425 -108401.4131 300.3880 -160669.9556 -108032.5280 301.0352 -283.8218 -258.5324 764534.3768 -7.1917 -6.9740 PRESSURE: 1132000 40.6838 50.056 3.81527 50.0555 121.665 36.9673 3.81439 36.9666 176.59 GPRESSURE: 1132000 -15.0132 9.93314 66.2174 99.4908 193.546 49.2606 -136.032 48.0361 241.728 PRESSAVG: 1132000 -71.7019 -17.7323 -24.8684 -17.7322 37.3318 -9.64376 -24.8685 -9.64371 12.8925 GPRESSAVG: 1132000 -72.6653 -17.0404 -24.6568 -16.9916 38.3847 -11.0015 -26.5354 -8.39859 12.3503 TIMING: 1132000 CPU: 3531.8, 0.00313552/step Wall: 3531.8, 0.00313552/step, 3.36894 hours remaining, 233.539062 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: 1132000 3995.3734 20513.0102 14560.5443 250.6897 -203040.6878 2986.9880 0.0000 0.0000 52370.2642 -108363.8179 300.9726 -160734.0822 -108003.1495 300.5746 112.9798 140.0870 765231.3987 -7.1592 -7.3101 PRESSURE: 1132200 -290.327 74.7662 135.925 74.7672 -84.173 39.3889 135.925 39.3877 -396.084 GPRESSURE: 1132200 -230.246 47.9747 134.513 39.6335 -80.3735 -41.4372 27.2139 -9.27491 -387.319 PRESSAVG: 1132200 -62.894 13.0161 20.1086 13.0161 49.4614 -13.5299 20.1086 -13.5299 6.84898 GPRESSAVG: 1132200 -61.6113 12.2726 19.3385 12.0429 48.3409 -12.2217 19.8627 -13.6027 6.6801 TIMING: 1132200 CPU: 3532.43, 0.00312976/step Wall: 3532.43, 0.00312976/step, 3.36258 hours remaining, 233.539062 MB of memory in use. ENERGY: 1132200 4031.3526 20632.4978 14501.1226 233.6401 -202604.8164 2649.2890 0.0000 0.0000 52165.7518 -108391.1625 299.7973 -160556.9143 -108023.3958 300.5852 -256.8611 -232.6460 764943.5922 -2.1945 -2.1968 LDB: ============= START OF LOAD BALANCING ============== 3544.91 LDB: ============== END OF LOAD BALANCING =============== 3544.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3544.91 LDB: ============= START OF LOAD BALANCING ============== 3545.23 LDB: Largest compute 6972 load 0.033039 is 16.9% of average load 0.195126 LDB: Average compute 0.004372 is 2.2% of average load 0.195126 LDB: TIME 3545.23 LOAD: AVG 0.195126 MAX 0.215606 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.309 MB LDB: TIME 3545.23 LOAD: AVG 0.195126 MAX 0.215606 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.344 MB LDB: TIME 3545.23 LOAD: AVG 0.195126 MAX 0.215606 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.344 MB LDB: ============== END OF LOAD BALANCING =============== 3545.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3545.24 PRESSURE: 1132400 -738.174 -57.8272 -162.915 -57.8263 -520.736 -127.99 -162.915 -127.989 -449.702 GPRESSURE: 1132400 -553.63 23.8773 -86.5655 19.4813 -623.158 -110.014 20.0827 -5.7991 -456.2 PRESSAVG: 1132400 -11.0731 19.2068 4.71131 19.2068 17.3209 10.1462 4.71123 10.1462 -3.04851 GPRESSAVG: 1132400 -10.5345 20.0179 4.35358 20.0533 17.1909 7.76029 7.9933 10.9673 -3.50108 TIMING: 1132400 CPU: 3533.07, 0.00320421/step Wall: 3533.07, 0.00320421/step, 3.44239 hours remaining, 234.253906 MB of memory in use. ENERGY: 1132400 3976.9803 20674.9782 14462.4476 262.4178 -202408.5335 2384.7427 0.0000 0.0000 52270.7559 -108376.2109 300.4008 -160646.9668 -108010.2669 300.3399 -569.5371 -544.3295 766276.0837 1.0664 1.0518 PRESSURE: 1132600 -3.6765 -71.1252 192.181 -71.1243 -64.1981 -144.551 192.18 -144.551 144.035 GPRESSURE: 1132600 -30.3077 25.5564 185.274 -103.259 36.0624 -127.144 163.051 -265.127 148.926 PRESSAVG: 1132600 -21.5183 34.7546 19.1335 34.7547 -4.76375 -2.27656 19.1334 -2.27657 39.5637 GPRESSAVG: 1132600 -23.4141 35.7988 19.4694 33.5393 -4.10503 -1.42966 13.0389 -5.03191 40.0851 TIMING: 1132600 CPU: 3533.7, 0.00314159/step Wall: 3533.7, 0.00314159/step, 3.37494 hours remaining, 234.253906 MB of memory in use. ENERGY: 1132600 4005.2113 20607.4919 14469.8195 230.7160 -202756.3295 2763.8453 0.0000 0.0000 51978.7471 -108700.4985 298.7226 -160679.2456 -108347.0033 300.1266 25.3870 51.5603 764032.1180 4.4272 4.1887 PRESSURE: 1132800 23.9733 -19.934 -212.747 -19.9337 -171.504 -87.6835 -212.747 -87.684 -166.469 GPRESSURE: 1132800 -23.2754 83.9588 -302.038 -103.988 -126.354 -30.8747 38.3704 43.8009 -87.6033 PRESSAVG: 1132800 -68.9094 -36.4137 35.4866 -36.4137 65.4008 -25.5305 35.4865 -25.5305 -5.45623 GPRESSAVG: 1132800 -68.5901 -36.1654 36.2001 -35.518 65.4932 -23.8893 38.8353 -22.3173 -5.58915 TIMING: 1132800 CPU: 3534.33, 0.00313317/step Wall: 3534.33, 0.00313317/step, 3.36572 hours remaining, 234.253906 MB of memory in use. ENERGY: 1132800 3967.2168 20699.3681 14404.2215 235.8944 -202895.1178 2788.8733 0.0000 0.0000 51811.4187 -108988.1251 297.7609 -160799.5437 -108638.4065 299.8711 -104.6665 -79.0777 763577.4771 -2.9883 -2.8954 PRESSURE: 1133000 -62.4787 -33.5014 111.137 -33.5029 35.3654 350.62 111.137 350.619 13.5504 GPRESSURE: 1133000 25.782 -108.889 6.64532 -9.88989 43.0662 313.23 174.563 263.966 -5.82409 PRESSAVG: 1133000 27.0709 19.4913 54.4627 19.4913 7.12946 -44.6442 54.4627 -44.6442 20.3828 GPRESSAVG: 1133000 28.0217 18.7745 55.1913 19.1548 6.8556 -48.2531 54.045 -44.2961 20.0736 TIMING: 1133000 CPU: 3534.95, 0.00313586/step Wall: 3534.95, 0.00313586/step, 3.36843 hours remaining, 234.253906 MB of memory in use. ENERGY: 1133000 4013.2230 20537.9379 14458.6902 255.6842 -202917.3532 2628.5497 0.0000 0.0000 51919.5344 -109103.7339 298.3823 -161023.2683 -108738.9663 298.7581 -4.5210 21.0080 762979.0553 18.1944 18.3169 PRESSURE: 1133200 -35.6609 69.0546 25.1084 69.0545 -74.0514 114.489 25.108 114.489 -91.0828 GPRESSURE: 1133200 -21.2419 24.6426 26.7393 -86.076 -28.8735 145.379 -117.856 65.2788 -34.3566 PRESSAVG: 1133200 -10.5278 -20.9224 33.1004 -20.9224 32.7792 7.04779 33.1004 7.04775 -0.127293 GPRESSAVG: 1133200 -10.5213 -21.0982 31.5834 -22.0041 31.9696 9.88315 31.6918 4.54138 0.798619 TIMING: 1133200 CPU: 3535.58, 0.00312329/step Wall: 3535.58, 0.00312329/step, 3.35476 hours remaining, 234.253906 MB of memory in use. ENERGY: 1133200 4014.4638 20474.8363 14460.3529 238.8926 -203621.1848 3126.5841 0.0000 0.0000 52135.2099 -109170.8452 299.6218 -161306.0551 -108795.7401 298.8423 -66.9317 -28.1573 762722.0955 7.3747 7.4156 PRESSURE: 1133400 243.322 -57.2997 -53.2199 -57.3006 88.0778 -193.707 -53.2202 -193.708 47.0164 GPRESSURE: 1133400 255.941 -82.9295 -102.746 -95.845 92.9942 -292.029 104.918 -180.831 112.354 PRESSAVG: 1133400 13.7626 10.2606 -38.815 10.2606 -13.8124 -42.8165 -38.815 -42.8165 -14.5361 GPRESSAVG: 1133400 13.4153 10.3438 -37.1884 10.363 -12.5525 -43.0511 -38.3134 -43.9148 -15.0205 TIMING: 1133400 CPU: 3536.2, 0.00313845/step Wall: 3536.2, 0.00313845/step, 3.37087 hours remaining, 234.253906 MB of memory in use. ENERGY: 1133400 3963.8728 20477.5744 14503.2840 240.2479 -203515.0839 2982.7740 0.0000 0.0000 52303.9115 -109043.4193 300.5913 -161347.3307 -108683.2619 299.3662 126.1389 153.7631 764756.0403 -4.8620 -4.7192 PRESSURE: 1133600 -275.539 -10.6535 -53.0933 -10.6525 -193.186 56.0434 -53.0932 56.0421 -189.931 GPRESSURE: 1133600 -180.209 28.503 -149.91 1.49792 -142.873 72.5306 4.95819 62.0512 -222.956 PRESSAVG: 1133600 24.0888 27.0208 -19.1555 27.0208 -13.0099 -9.6031 -19.1555 -9.60311 32.4426 GPRESSAVG: 1133600 25.8224 28.005 -20.0115 27.7493 -14.159 -9.68167 -18.7359 -8.44632 31.4458 TIMING: 1133600 CPU: 3536.83, 0.00313111/step Wall: 3536.83, 0.00313111/step, 3.36281 hours remaining, 234.253906 MB of memory in use. ENERGY: 1133600 4030.9482 20722.9155 14473.2617 242.7476 -203451.1118 2944.0231 0.0000 0.0000 52148.7910 -108888.4247 299.6998 -161037.2157 -108530.2651 299.9876 -219.5521 -182.0129 764181.8579 14.5072 14.3697 PRESSURE: 1133800 242.954 48.7512 -111.82 48.7506 -62.321 -35.5723 -111.82 -35.5732 108.082 GPRESSURE: 1133800 327.122 -56.5619 -63.7033 60.5749 -103.21 -92.5126 -39.6032 73.056 149.266 PRESSAVG: 1133800 10.3504 -3.1512 -3.13585 -3.15119 -27.0474 38.9355 -3.13591 38.9354 -0.320804 GPRESSAVG: 1133800 8.04511 -4.65508 -4.0226 -2.6672 -26.2215 38.019 -2.56134 40.0527 1.73419 TIMING: 1133800 CPU: 3537.46, 0.00313563/step Wall: 3537.46, 0.00313563/step, 3.36749 hours remaining, 234.253906 MB of memory in use. ENERGY: 1133800 3975.9977 20478.3257 14522.4097 261.5206 -203412.2507 2983.7336 0.0000 0.0000 52053.1148 -109137.1486 299.1500 -161190.2634 -108780.8285 299.0293 96.2382 124.3927 764047.2578 -5.6726 -5.4807 PRESSURE: 1134000 -201.351 196.77 80.3977 196.769 -30.3276 144.312 80.3978 144.312 -89.8006 GPRESSURE: 1134000 -156.154 3.91435 110.117 139.708 -68.2475 160.331 -82.4768 83.4617 -26.9285 PRESSAVG: 1134000 -52.1905 11.7518 16.9492 11.7518 84.1931 51.1002 16.9492 51.1003 2.60844 GPRESSAVG: 1134000 -52.1203 10.4689 18.5555 12.0377 84.5264 52.0397 16.1549 51.6074 1.71735 TIMING: 1134000 CPU: 3538.08, 0.00312739/step Wall: 3538.08, 0.00312739/step, 3.35847 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1134000 4035.0998 20496.6185 14441.0438 255.7854 -203204.2401 2898.0518 0.0000 0.0000 52066.0872 -109011.5535 299.2245 -161077.6408 -108651.7367 299.3155 -107.1598 -83.7767 765517.2804 11.5370 11.3745 PRESSURE: 1134200 13.0569 9.2542 -162.273 9.25431 170.072 -272.128 -162.273 -272.128 574.681 GPRESSURE: 1134200 41.0857 -46.394 -163.336 24.6921 197.803 -240.567 -34.8592 -217.911 594.01 PRESSAVG: 1134200 -64.4663 62.9517 7.90756 62.9517 30.4694 29.436 7.90755 29.4359 1.21762 GPRESSAVG: 1134200 -63.9322 65.114 8.70263 62.6635 29.8031 29.4731 9.36511 28.9047 1.77618 TIMING: 1134200 CPU: 3538.71, 0.0031231/step Wall: 3538.71, 0.0031231/step, 3.35369 hours remaining, 234.253906 MB of memory in use. ENERGY: 1134200 3943.2558 20495.9037 14538.5656 250.9567 -203485.5562 2970.7509 0.0000 0.0000 52097.9366 -109188.1870 299.4076 -161286.1236 -108829.1800 299.3118 252.6034 277.6326 764350.5853 -10.9264 -10.7843 PRESSURE: 1134400 -52.0618 151.993 -314.513 151.992 223.107 -9.43136 -314.512 -9.43164 794.004 GPRESSURE: 1134400 -4.58494 45.6066 -404.421 37.975 258.292 -20.0194 -297.971 19.2893 782.217 PRESSAVG: 1134400 -20.9996 18.5739 -14.6017 18.5738 46.3251 -6.26735 -14.6017 -6.26723 -12.4932 GPRESSAVG: 1134400 -21.2214 16.4448 -14.6799 18.7639 45.1261 -5.87707 -15.2727 -3.89864 -10.8507 TIMING: 1134400 CPU: 3539.33, 0.00311909/step Wall: 3539.33, 0.00311909/step, 3.34921 hours remaining, 234.253906 MB of memory in use. ENERGY: 1134400 3916.5635 20550.7769 14530.2462 242.8745 -203572.2820 3152.1452 0.0000 0.0000 52163.1839 -109016.4919 299.7825 -161179.6758 -108655.1194 299.6587 321.6830 345.3082 762996.6629 4.2774 4.3513 PRESSURE: 1134600 263.037 229.136 214.542 229.135 3.81871 194.48 214.543 194.478 249.303 GPRESSURE: 1134600 307.972 192.013 212.521 173.634 50.8791 168.357 207.296 127.758 224.491 PRESSAVG: 1134600 -2.77351 36.6857 71.3358 36.6857 -8.93009 19.6411 71.3358 19.6411 28.2506 GPRESSAVG: 1134600 -1.30168 37.8545 70.8423 35.9529 -7.83071 18.9708 72.3379 17.1086 26.3775 TIMING: 1134600 CPU: 3539.96, 0.00312398/step Wall: 3539.96, 0.00312398/step, 3.35428 hours remaining, 234.253906 MB of memory in use. ENERGY: 1134600 3989.5591 20435.2249 14437.8438 258.8151 -203186.2288 2933.6348 0.0000 0.0000 52146.7199 -108984.4312 299.6879 -161131.1510 -108620.5212 299.4077 172.0527 194.4474 763780.0783 5.5157 5.7484 PRESSURE: 1134800 -86.511 106.211 205.429 106.211 -23.8549 -282.725 205.429 -282.726 153.068 GPRESSURE: 1134800 -54.3712 55.565 106.399 97.4433 73.3746 -215.737 121.077 -226.675 96.5675 PRESSAVG: 1134800 19.4773 0.936415 41.3771 0.936387 13.7158 -26.3039 41.377 -26.3038 -13.9834 GPRESSAVG: 1134800 18.0693 -0.324362 41.7041 0.557921 14.622 -24.6159 37.9129 -26.9507 -13.8526 TIMING: 1134800 CPU: 3540.58, 0.00312901/step Wall: 3540.58, 0.00312901/step, 3.35952 hours remaining, 234.253906 MB of memory in use. ENERGY: 1134800 4017.6349 20397.4271 14488.0364 246.3143 -203575.4830 3054.1054 0.0000 0.0000 52157.0777 -109214.8870 299.7474 -161371.9647 -108853.4992 299.3222 14.2342 38.5236 762541.0162 6.4032 6.2795 PRESSURE: 1135000 -29.8849 106.31 269.945 106.31 -254.16 38.5501 269.945 38.5503 80.7968 GPRESSURE: 1135000 40.4362 99.6491 267.59 52.0636 -289.272 40.6166 265.138 201.567 130.115 PRESSAVG: 1135000 -54.1987 -40.4189 -11.4129 -40.4189 32.6973 20.4929 -11.4129 20.4928 12.1093 GPRESSAVG: 1135000 -53.9235 -38.6574 -12.5121 -41.5986 32.1681 19.9386 -10.1077 23.0407 12.41 TIMING: 1135000 CPU: 3541.21, 0.00312447/step Wall: 3541.21, 0.00312447/step, 3.35447 hours remaining, 234.253906 MB of memory in use. ENERGY: 1135000 3990.7359 20495.5455 14456.2200 276.8694 -203230.1680 3104.1778 0.0000 0.0000 51661.9237 -109244.6956 296.9018 -160906.6194 -108892.9044 298.7467 -67.7494 -39.5737 763349.6230 -3.1307 -3.1151 PRESSURE: 1135200 -218.134 0.257913 187.386 0.25713 243.456 -61.8086 187.386 -61.8085 -44.9076 GPRESSURE: 1135200 -161.36 -19.3829 176.745 -20.8259 235.216 -59.4696 257.207 -70.7454 -0.911314 PRESSAVG: 1135200 -31.7402 -57.8782 7.23262 -57.8782 45.1613 33.0566 7.23266 33.0567 -4.16595 GPRESSAVG: 1135200 -31.5318 -58.2269 6.54339 -56.0422 44.4042 33.5441 8.62534 30.9614 -3.23481 TIMING: 1135200 CPU: 3541.83, 0.00313211/step Wall: 3541.83, 0.00313211/step, 3.36249 hours remaining, 234.253906 MB of memory in use. ENERGY: 1135200 3900.9444 20451.5714 14519.3090 269.9232 -202831.9314 2703.5305 0.0000 0.0000 51753.1847 -109233.4682 297.4263 -160986.6529 -108874.8865 298.2048 -6.5284 24.3151 764126.5337 3.0850 3.2125 PRESSURE: 1135400 181.348 -43.697 -57.2415 -43.6969 -74.0033 27.1512 -57.2411 27.1508 -426.184 GPRESSURE: 1135400 182.227 -26.7276 -61.9201 -31.5664 -26.9354 101.311 -111.84 -2.70939 -417.939 PRESSAVG: 1135400 23.6342 -73.3144 15.2951 -73.3145 18.6644 -26.3277 15.2952 -26.3277 10.9814 GPRESSAVG: 1135400 23.3514 -72.271 17.057 -74.345 20.202 -26.6162 13.7731 -25.9501 10.0097 TIMING: 1135400 CPU: 3542.46, 0.00313992/step Wall: 3542.46, 0.00313992/step, 3.3707 hours remaining, 234.253906 MB of memory in use. ENERGY: 1135400 3928.9570 20521.6160 14451.3524 261.8843 -203114.5314 2684.7868 0.0000 0.0000 52048.4488 -109217.4861 299.1232 -161265.9349 -108854.6058 298.6392 -106.2800 -87.5489 762632.9920 17.7600 17.8543 PRESSURE: 1135600 -45.9276 -271.118 88.2637 -271.118 45.7861 -42.0859 88.2622 -42.0857 269.896 GPRESSURE: 1135600 103.197 -264.411 62.3966 -208.976 33.9975 -48.7517 187.567 8.05467 195.333 PRESSAVG: 1135600 27.6375 -26.0604 -44.7227 -26.0604 -50.7881 31.7107 -44.7229 31.7106 -11.9632 GPRESSAVG: 1135600 28.1 -26.3428 -45.4045 -24.6962 -50.9038 31.9625 -42.8782 33.5596 -12.1345 TIMING: 1135600 CPU: 3543.09, 0.00313332/step Wall: 3543.09, 0.00313332/step, 3.36344 hours remaining, 234.253906 MB of memory in use. ENERGY: 1135600 3993.6446 20471.0145 14455.6579 239.6493 -203153.8014 2933.9404 0.0000 0.0000 51963.5684 -109096.3262 298.6353 -161059.8946 -108743.6711 298.5483 89.9181 110.8425 764884.5185 -11.7046 -11.6461 PRESSURE: 1135800 -134.824 263.399 47.1288 263.4 -202.024 -132.172 47.1288 -132.172 -109.783 GPRESSURE: 1135800 3.16537 341.951 109.379 251.796 -238.145 -108.003 124.971 -126.406 -106.242 PRESSAVG: 1135800 -20.889 -39.3845 -24.3993 -39.3845 29.0514 -25.7796 -24.3992 -25.7796 16.3103 GPRESSAVG: 1135800 -20.4707 -39.8406 -24.9601 -39.4394 28.7699 -26.4715 -23.2689 -29.1571 15.954 TIMING: 1135800 CPU: 3543.71, 0.00312602/step Wall: 3543.71, 0.00312602/step, 3.35544 hours remaining, 234.253906 MB of memory in use. ENERGY: 1135800 3958.9296 20355.1326 14488.6400 248.6538 -203015.3205 2878.3376 0.0000 0.0000 52114.7398 -108970.8870 299.5041 -161085.6268 -108599.2043 299.2764 -148.8773 -113.7405 765424.5929 8.1575 8.0844 PRESSURE: 1136000 -299.009 15.0383 173.49 15.0382 32.9189 -52.5945 173.49 -52.5948 -311.91 GPRESSURE: 1136000 -283.065 116.943 206.857 -23.3071 46.9644 -26.262 154.992 -63.9866 -246.364 PRESSAVG: 1136000 27.2079 36.9716 52.3034 36.9715 -17.0412 34.2695 52.3034 34.2696 7.20201 GPRESSAVG: 1136000 26.3567 36.0786 50.9242 37.4146 -17.0306 34.2593 50.8788 35.529 7.78842 TIMING: 1136000 CPU: 3544.34, 0.00312933/step Wall: 3544.34, 0.00312933/step, 3.35881 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1136000 4037.6826 20588.6216 14434.6551 257.0544 -203366.6453 2897.0518 0.0000 0.0000 52045.8270 -109105.7529 299.1081 -161151.5799 -108745.1477 299.1915 -192.6668 -160.8213 763323.1279 5.7896 5.7048 PRESSURE: 1136200 -115.452 226.081 178.792 226.082 74.8849 64.8535 178.792 64.8533 384.052 GPRESSURE: 1136200 -79.7413 110.466 151.422 198.85 106.764 121.207 52.7595 10.6069 427.378 PRESSAVG: 1136200 -42.6708 12.1937 25.519 12.1937 49.8723 20.822 25.519 20.822 -4.76414 GPRESSAVG: 1136200 -42.402 12.9314 26.8342 11.6306 49.691 20.7086 24.2993 20.9388 -4.8198 TIMING: 1136200 CPU: 3544.97, 0.00314329/step Wall: 3544.97, 0.00314329/step, 3.37363 hours remaining, 234.253906 MB of memory in use. ENERGY: 1136200 3927.7798 20408.8121 14452.6878 242.6128 -203099.9952 2841.2923 0.0000 0.0000 52054.5930 -109172.2173 299.1585 -161226.8103 -108797.6939 299.4087 114.4949 151.4669 764814.5310 0.8125 0.8231 LDB: ============= START OF LOAD BALANCING ============== 3557.45 LDB: ============== END OF LOAD BALANCING =============== 3557.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3557.45 LDB: ============= START OF LOAD BALANCING ============== 3557.76 LDB: Largest compute 6972 load 0.031164 is 16.0% of average load 0.195035 LDB: Average compute 0.004382 is 2.2% of average load 0.195035 LDB: TIME 3557.77 LOAD: AVG 0.195035 MAX 0.21816 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.023 MB LDB: TIME 3557.77 LOAD: AVG 0.195035 MAX 0.21816 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.094 MB LDB: TIME 3557.77 LOAD: AVG 0.195035 MAX 0.217224 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.094 MB LDB: ============== END OF LOAD BALANCING =============== 3557.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3557.77 PRESSURE: 1136400 -51.442 12.2106 -57.9863 12.2105 -44.6557 -31.0935 -57.9864 -31.0935 -558.933 GPRESSURE: 1136400 -21.7636 -100.256 -121.869 -28.5422 -16.5207 10.4383 -122.271 21.3663 -515.954 PRESSAVG: 1136400 -77.8484 48.3258 14.9635 48.3257 -18.0698 0.0102436 14.9635 0.0102179 -20.4144 GPRESSAVG: 1136400 -78.8891 47.8134 15.5678 47.5324 -16.9788 0.164866 13.7487 1.73049 -20.4417 TIMING: 1136400 CPU: 3545.61, 0.00319505/step Wall: 3545.61, 0.00319505/step, 3.42899 hours remaining, 235.921875 MB of memory in use. ENERGY: 1136400 4065.3525 20314.2352 14342.4998 243.2460 -203003.9351 2645.1273 0.0000 0.0000 52058.6929 -109334.7814 299.1820 -161393.4742 -108973.5851 298.7705 -218.3435 -184.7459 762953.2222 -38.7775 -38.7699 PRESSURE: 1136600 -319.209 81.2388 153.614 81.2394 -335.621 129.438 153.613 129.439 -129.173 GPRESSURE: 1136600 -319.115 45.0011 159.176 7.4669 -312.638 52.6592 148.77 178.374 -70.9899 PRESSAVG: 1136600 -8.68757 10.3585 -27.6292 10.3585 41.3336 0.0648078 -27.6292 0.0647659 -24.1634 GPRESSAVG: 1136600 -7.915 10.4667 -29.5922 11.3962 40.8246 0.61336 -23.7419 -2.77936 -23.9132 TIMING: 1136600 CPU: 3546.23, 0.00312957/step Wall: 3546.23, 0.00312957/step, 3.35856 hours remaining, 235.921875 MB of memory in use. ENERGY: 1136600 4002.0095 20523.2336 14465.0553 244.7411 -202963.4855 2629.3184 0.0000 0.0000 51884.2728 -109214.8548 298.1796 -161099.1276 -108854.1926 298.7526 -261.3344 -234.2475 765135.5778 2.8275 2.9988 PRESSURE: 1136800 -71.7911 -11.9728 -78.3341 -11.9731 -263.717 24.9148 -78.3338 24.9149 -42.1894 GPRESSURE: 1136800 -3.80111 -1.893 -52.7934 -75.816 -219.964 -27.4919 -195.95 93.3941 -64.6405 PRESSAVG: 1136800 7.29592 15.727 13.0867 15.727 3.01594 66.8967 13.0867 66.8967 -1.19253 GPRESSAVG: 1136800 6.67138 14.2236 14.6795 17.2067 4.76135 66.7833 10.4644 66.7324 -1.95023 TIMING: 1136800 CPU: 3546.86, 0.00313096/step Wall: 3546.86, 0.00313096/step, 3.35986 hours remaining, 235.921875 MB of memory in use. ENERGY: 1136800 4048.7705 20601.9660 14503.7148 250.2041 -203228.7159 2592.4066 0.0000 0.0000 52003.0402 -109228.6136 298.8622 -161231.6538 -108871.3748 299.1175 -125.8993 -96.1350 764408.5958 3.0398 3.1608 PRESSURE: 1137000 190.034 -206.283 115.713 -206.283 -10.0315 -35.9964 115.713 -35.9972 47.5593 GPRESSURE: 1137000 187.944 -92.3999 15.3413 -203.083 36.3151 -2.59332 36.5309 -37.9673 87.0721 PRESSAVG: 1137000 -2.74962 29.4338 14.2748 29.4339 -23.2625 73.4878 14.2748 73.4878 8.85073 GPRESSAVG: 1137000 -2.40986 31.8487 15.5035 28.0381 -23.8081 74.9362 13.1762 74.7977 8.66335 TIMING: 1137000 CPU: 3547.48, 0.00311802/step Wall: 3547.48, 0.00311802/step, 3.34581 hours remaining, 235.921875 MB of memory in use. ENERGY: 1137000 3998.7433 20630.6143 14477.5569 241.9557 -203559.9471 2889.7820 0.0000 0.0000 51879.7186 -109441.5764 298.1535 -161321.2949 -109088.3666 299.2201 75.8538 103.7771 763821.4076 -5.7205 -5.8515 PRESSURE: 1137200 50.6558 149.681 -79.6301 149.682 -150.464 150.893 -79.6302 150.894 29.8182 GPRESSURE: 1137200 154.623 45.5648 -55.2929 120.411 -116.502 126.969 -8.99187 88.0411 -30.9796 PRESSAVG: 1137200 10.6535 22.4296 31.2885 22.4295 -0.788887 63.1511 31.2886 63.1511 -13.132 GPRESSAVG: 1137200 10.9647 20.9293 28.0158 20.2506 -0.318869 61.2295 34.8188 62.915 -14.0039 TIMING: 1137200 CPU: 3548.11, 0.00311979/step Wall: 3548.11, 0.00311979/step, 3.34754 hours remaining, 235.921875 MB of memory in use. ENERGY: 1137200 3966.0632 20574.2078 14445.2907 252.9502 -203761.7253 2966.4984 0.0000 0.0000 51766.3130 -109790.4021 297.5017 -161556.7151 -109429.3438 298.8510 -23.3301 2.3807 762730.2334 -1.0891 -1.1193 PRESSURE: 1137400 92.0579 50.963 79.529 50.9633 142.498 44.1225 79.5288 44.1221 -449.129 GPRESSURE: 1137400 -53.943 9.53211 124.209 222.465 182.787 49.4738 54.4087 37.0199 -262.658 PRESSAVG: 1137400 -52.4935 64.7573 -2.21554 64.7573 44.3666 53.4897 -2.21547 53.4897 -0.211541 GPRESSAVG: 1137400 -52.8619 66.8204 0.106186 66.5303 44.3181 52.5282 -2.66994 52.5586 1.1639 TIMING: 1137400 CPU: 3548.73, 0.00311966/step Wall: 3548.73, 0.00311966/step, 3.34722 hours remaining, 235.921875 MB of memory in use. ENERGY: 1137400 3924.2445 20577.6128 14463.9389 255.1925 -203351.2318 2665.2967 0.0000 0.0000 52004.1779 -109460.7686 298.8687 -161464.9465 -109096.2142 298.2352 -71.5244 -44.6045 762976.2179 -2.7795 -2.4600 PRESSURE: 1137600 -196.734 -272.944 132.613 -272.944 -187.127 -137.806 132.613 -137.805 -275.096 GPRESSURE: 1137600 -141.401 -236.752 84.9709 -181.852 -210.639 -102.947 83.8393 -33.0113 -228.444 PRESSAVG: 1137600 -72.1189 -15.7008 -11.3258 -15.7007 71.7502 24.329 -11.3259 24.3292 6.18923 GPRESSAVG: 1137600 -71.4657 -15.7821 -12.2245 -16.3349 70.9179 25.1183 -13.3247 26.4287 6.26501 TIMING: 1137600 CPU: 3549.36, 0.00313182/step Wall: 3549.36, 0.00313182/step, 3.36009 hours remaining, 235.921875 MB of memory in use. ENERGY: 1137600 4027.7765 20544.6833 14461.8354 249.7621 -203845.5231 3029.5444 0.0000 0.0000 51890.9163 -109641.0051 298.2178 -161531.9214 -109292.0317 298.5302 -219.6524 -193.4945 760849.7788 1.9402 1.9057 PRESSURE: 1137800 -337.211 71.9506 155.936 71.9505 -415.201 -118.426 155.936 -118.424 -508.046 GPRESSURE: 1137800 -328.758 128.645 257.301 114.484 -387.368 -89.8404 172.062 12.2718 -462.791 PRESSAVG: 1137800 -29.3787 30.3756 -47.113 30.3756 48.3734 72.3653 -47.113 72.3653 0.77676 GPRESSAVG: 1137800 -30.6842 29.4689 -46.1921 32.2766 50.2699 71.4097 -46.6354 73.0568 0.634747 TIMING: 1137800 CPU: 3549.99, 0.00314196/step Wall: 3549.99, 0.00314196/step, 3.3708 hours remaining, 235.921875 MB of memory in use. ENERGY: 1137800 3984.1917 20499.9067 14422.6886 225.1973 -203439.6412 2731.1329 0.0000 0.0000 51953.6610 -109622.8629 298.5784 -161576.5240 -109254.5467 298.5735 -420.1525 -392.9722 763181.0729 6.5905 6.7402 PRESSURE: 1138000 -271.051 124.934 -71.7617 124.933 133.319 101.89 -71.7628 101.89 263.931 GPRESSURE: 1138000 -280.036 98.4626 -96.887 -60.9833 204.179 101.438 -128.175 48.724 261.406 PRESSAVG: 1138000 -56.8017 15.5534 25.3566 15.5534 53.1223 26.1736 25.3565 26.1735 11.5159 GPRESSAVG: 1138000 -55.2563 14.7052 25.1941 14.1246 52.0845 25.742 24.1963 25.122 11.0294 TIMING: 1138000 CPU: 3550.61, 0.00313443/step Wall: 3550.61, 0.00313443/step, 3.36254 hours remaining, 235.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1138000 3963.4568 20633.0396 14423.3658 232.4507 -203174.3562 2666.6597 0.0000 0.0000 51962.2975 -109293.0861 298.6280 -161255.3836 -108929.6792 298.5377 42.0663 61.8498 762625.7898 2.6122 2.6192 PRESSURE: 1138200 -126.706 90.4324 -55.9605 90.433 -156.659 102.708 -55.9609 102.708 178.06 GPRESSURE: 1138200 -90.3787 268.314 -26.9153 74.6333 -199.786 37.4384 -50.0477 97.0732 248.003 PRESSAVG: 1138200 -70.2247 -34.4531 34.7124 -34.4532 68.933 -6.33557 34.7124 -6.33552 16.6239 GPRESSAVG: 1138200 -69.5725 -32.9027 35.5126 -35.193 68.6375 -6.16721 34.4079 -5.86691 16.5021 TIMING: 1138200 CPU: 3551.24, 0.00314449/step Wall: 3551.24, 0.00314449/step, 3.37317 hours remaining, 235.921875 MB of memory in use. ENERGY: 1138200 4037.6322 20529.6096 14412.4318 237.9003 -203534.9653 2853.2095 0.0000 0.0000 52182.1452 -109282.0368 299.8915 -161464.1819 -108921.6915 298.8487 -35.1018 -14.0540 762359.2831 5.1107 5.1890 PRESSURE: 1138400 -336.915 26.056 223.284 26.0552 -23.8219 253.569 223.285 253.571 338.066 GPRESSURE: 1138400 -258.969 -25.8611 242.438 -37.6901 -11.7672 220.947 78.1522 202.719 332.371 PRESSAVG: 1138400 -57.6281 9.51624 32.8041 9.51625 43.7047 0.727993 32.8041 0.728087 -5.24506 GPRESSAVG: 1138400 -57.6719 6.70596 32.1334 11.5547 43.1363 2.57251 33.4071 0.16828 -4.87818 TIMING: 1138400 CPU: 3551.87, 0.00313532/step Wall: 3551.87, 0.00313532/step, 3.36316 hours remaining, 235.921875 MB of memory in use. ENERGY: 1138400 4036.5655 20484.5073 14454.7495 246.3106 -203766.2076 2943.1367 0.0000 0.0000 52165.6440 -109435.2940 299.7967 -161600.9380 -109071.3836 298.9243 -7.5569 20.5450 762983.1398 -6.3895 -6.4713 PRESSURE: 1138600 9.15834 241.274 32.2849 241.273 -239.468 -184.518 32.2847 -184.518 119.448 GPRESSURE: 1138600 -15.8019 137.9 -7.54044 189.19 -78.1753 -192.439 18.398 -207.211 68.7315 PRESSAVG: 1138600 -43.8197 6.85684 76.1276 6.85687 49.881 -45.1503 76.1276 -45.1503 3.65598 GPRESSAVG: 1138600 -45.2984 6.63407 75.2024 6.4955 50.7431 -45.7755 77.51 -44.7639 3.83165 TIMING: 1138600 CPU: 3552.49, 0.00313128/step Wall: 3552.49, 0.00313128/step, 3.35864 hours remaining, 235.921875 MB of memory in use. ENERGY: 1138600 4016.5065 20459.0481 14375.8501 266.3981 -203337.9532 2792.0615 0.0000 0.0000 51985.4425 -109442.6465 298.7611 -161428.0891 -109067.2281 298.5927 -36.9540 -8.4152 763217.6760 3.2391 3.0921 PRESSURE: 1138800 -588.899 -80.7971 -91.5326 -80.7974 -95.4312 19.582 -91.5322 19.5816 241.784 GPRESSURE: 1138800 -461.584 -124.613 -95.0151 20.1721 -95.0236 6.55608 -0.508907 -20.483 218.5 PRESSAVG: 1138800 -39.4986 46.4624 35.9363 46.4624 89.0856 -7.79243 35.9363 -7.79243 11.7438 GPRESSAVG: 1138800 -39.3927 47.9143 36.7998 46.5722 89.4178 -7.41956 37.2504 -6.46343 11.4826 TIMING: 1138800 CPU: 3553.12, 0.00313369/step Wall: 3553.12, 0.00313369/step, 3.36106 hours remaining, 235.921875 MB of memory in use. ENERGY: 1138800 3914.8267 20432.6624 14436.2658 245.2721 -202949.7299 2502.5366 0.0000 0.0000 52036.8637 -109381.3027 299.0566 -161418.1664 -109012.2910 298.1703 -147.5154 -112.7026 763276.6418 20.4436 20.5025 PRESSURE: 1139000 -253.444 58.1485 -33.4498 58.1483 54.4936 129.7 -33.4498 129.7 -15.5348 GPRESSURE: 1139000 -158.439 -34.7747 18.1459 -49.7721 34.4764 130.902 -93.4388 140.289 -25.6752 PRESSAVG: 1139000 -32.9267 53.5165 -15.985 53.5165 0.733054 18.1998 -15.985 18.1999 -12.8133 GPRESSAVG: 1139000 -33.5113 53.5898 -15.7107 51.1243 0.828592 18.3551 -18.8803 18.0996 -12.7664 TIMING: 1139000 CPU: 3553.75, 0.00312796/step Wall: 3553.75, 0.00312796/step, 3.35473 hours remaining, 235.921875 MB of memory in use. ENERGY: 1139000 3941.2394 20427.6132 14462.5363 259.6289 -203300.0792 2755.4595 0.0000 0.0000 52096.9007 -109356.7011 299.4016 -161453.6018 -108984.4582 298.3226 -71.4950 -49.8791 763241.5015 -15.0023 -15.1497 PRESSURE: 1139200 34.9269 65.7768 7.14939 65.7773 -39.5452 9.71809 7.1489 9.7177 18.8768 GPRESSURE: 1139200 62.9123 39.1953 -50.6802 126.242 63.6679 -24.8839 -55.5648 25.0454 -29.8332 PRESSAVG: 1139200 34.3304 14.651 -7.76119 14.6511 -26.0642 23.1596 -7.76116 23.1596 13.0971 GPRESSAVG: 1139200 33.8504 16.6487 -8.58628 13.4696 -25.7312 20.5388 -5.4924 22.2387 13.4522 TIMING: 1139200 CPU: 3554.37, 0.00312787/step Wall: 3554.37, 0.00312787/step, 3.35447 hours remaining, 235.921875 MB of memory in use. ENERGY: 1139200 4012.3100 20551.3146 14434.5810 237.9626 -203229.4075 2650.2897 0.0000 0.0000 52175.6596 -109167.2901 299.8542 -161342.9497 -108793.8371 299.0504 4.7528 32.2490 761752.3866 7.1211 7.1905 PRESSURE: 1139400 163.48 -11.5452 134.205 -11.5452 177.452 35.1095 134.204 35.1095 89.8751 GPRESSURE: 1139400 216.1 -147.632 40.3266 17.4329 204.416 111.448 139.324 45.1939 83.154 PRESSAVG: 1139400 57.8428 32.636 36.2299 32.6361 -64.5474 -47.0116 36.2299 -47.0115 -15.9886 GPRESSAVG: 1139400 58.1609 30.6208 36.6151 33.2016 -64.0954 -45.4359 34.5505 -46.6104 -17.2302 TIMING: 1139400 CPU: 3555, 0.00311732/step Wall: 3555, 0.00311732/step, 3.34297 hours remaining, 235.921875 MB of memory in use. ENERGY: 1139400 4005.2293 20489.3815 14455.6202 243.1758 -203167.7146 2907.1640 0.0000 0.0000 52127.3340 -108939.8098 299.5765 -161067.1438 -108576.0575 299.4224 143.6024 167.8902 762492.3243 -7.5644 -7.7216 PRESSURE: 1139600 -255.391 155.536 -38.3301 155.536 -113.998 -17.9722 -38.3298 -17.9727 84.1653 GPRESSURE: 1139600 -112.698 194.731 -33.6592 173.404 -148.868 -122.721 77.2793 -69.8314 80.4513 PRESSAVG: 1139600 -3.69856 56.9397 35.7236 56.9397 -6.81728 43.052 35.7237 43.052 -2.07327 GPRESSAVG: 1139600 -2.66006 58.34 35.2236 55.6381 -7.01527 43.4481 35.4918 40.9285 -2.03611 TIMING: 1139600 CPU: 3555.62, 0.00311868/step Wall: 3555.62, 0.00311868/step, 3.34426 hours remaining, 235.921875 MB of memory in use. ENERGY: 1139600 3947.6365 20586.2540 14431.4037 247.6008 -202868.4368 2489.6835 0.0000 0.0000 52021.1588 -109144.6995 298.9663 -161165.8583 -108771.8240 299.6602 -95.0744 -60.3717 763773.4928 -4.1964 -3.9038 PRESSURE: 1139800 334.541 -136.94 -52.0331 -136.941 80.992 -300.31 -52.033 -300.31 28.8804 GPRESSURE: 1139800 328.697 -122.387 -7.12839 -35.5899 107.734 -214.322 -65.2376 -294.06 104.68 PRESSAVG: 1139800 65.5915 -4.52313 15.8589 -4.52307 -53.178 8.61795 15.8589 8.61794 4.53254 GPRESSAVG: 1139800 65.6814 -6.75261 16.7004 0.274457 -53.3452 7.39273 17.8003 11.2091 5.76458 TIMING: 1139800 CPU: 3556.25, 0.00313296/step Wall: 3556.25, 0.00313296/step, 3.3594 hours remaining, 235.921875 MB of memory in use. ENERGY: 1139800 4032.7324 20655.9696 14461.3911 257.4414 -203546.6331 2873.3159 0.0000 0.0000 51971.1474 -109294.6354 298.6789 -161265.7827 -108940.8950 298.7733 148.1379 180.3702 763089.6374 5.6487 6.0336 PRESSURE: 1140000 -136.815 79.1247 147.903 79.1253 -147.885 -99.5396 147.903 -99.5391 -366.587 GPRESSURE: 1140000 -74.7717 111.285 47.4119 0.0869964 -160.7 -142.294 173.305 -32.6033 -333.641 PRESSAVG: 1140000 4.45605 27.8791 48.6662 27.8791 23.4416 -9.77297 48.6661 -9.77308 -0.917222 GPRESSAVG: 1140000 4.1425 30.7379 48.2727 23.7099 23.3513 -9.3786 49.5372 -9.28662 -0.33666 TIMING: 1140000 CPU: 3556.87, 0.00312825/step Wall: 3556.87, 0.00312825/step, 3.35418 hours remaining, 235.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1140000 3991.6610 20489.9623 14433.5327 257.8284 -203341.3507 2697.9806 0.0000 0.0000 51986.5030 -109483.8827 298.7671 -161470.3857 -109126.4077 298.8300 -217.0958 -189.7044 762713.8037 8.9935 9.0524 PRESSURE: 1140200 12.0769 136.391 61.7947 136.391 -534.37 199.747 61.7944 199.747 192.08 GPRESSURE: 1140200 -25.8618 124.31 129.527 32.0232 -416.768 170.643 24.8937 171.307 193.915 PRESSAVG: 1140200 3.62339 73.1124 49.0685 73.1124 3.72516 82.6086 49.0685 82.6086 18.1645 GPRESSAVG: 1140200 3.63802 71.4598 49.9806 74.8381 4.32279 83.1312 46.7057 79.8486 17.7716 TIMING: 1140200 CPU: 3557.5, 0.00312215/step Wall: 3557.5, 0.00312215/step, 3.34747 hours remaining, 235.921875 MB of memory in use. ENERGY: 1140200 4010.0349 20620.3702 14433.3178 251.8759 -202704.7914 2255.2070 0.0000 0.0000 51860.8487 -109273.1371 298.0450 -161133.9858 -108917.2312 298.4447 -110.0712 -82.9050 764153.4533 8.5044 8.5775 LDB: ============= START OF LOAD BALANCING ============== 3569.98 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3569.98 LDB: =============== DONE WITH MIGRATION ================ 3569.98 LDB: ============= START OF LOAD BALANCING ============== 3570.29 LDB: Largest compute 6972 load 0.030858 is 15.8% of average load 0.195140 LDB: Average compute 0.004383 is 2.2% of average load 0.195140 LDB: TIME 3570.29 LOAD: AVG 0.19514 MAX 0.219111 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.082 MB LDB: TIME 3570.29 LOAD: AVG 0.19514 MAX 0.219111 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.082 MB LDB: TIME 3570.29 LOAD: AVG 0.19514 MAX 0.217596 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.082 MB LDB: ============== END OF LOAD BALANCING =============== 3570.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3570.3 PRESSURE: 1140400 90.7733 -21.2212 -146.511 -21.2199 244.37 13.4121 -146.512 13.4121 -184.968 GPRESSURE: 1140400 76.4819 0.240603 -97.3477 -61.7742 232.545 23.866 -90.9943 -44.7939 -88.3769 PRESSAVG: 1140400 -26.7478 32.5738 -9.29959 32.5739 54.3464 -21.2846 -9.29962 -21.2846 -12.2057 GPRESSAVG: 1140400 -27.2603 34.9493 -9.42291 31.2299 53.914 -20.2258 -10.1332 -20.7045 -10.8875 TIMING: 1140400 CPU: 3558.14, 0.00319393/step Wall: 3558.14, 0.00319393/step, 3.42424 hours remaining, 235.277344 MB of memory in use. ENERGY: 1140400 4015.3950 20423.4990 14523.5569 256.9271 -203556.6007 3010.3021 0.0000 0.0000 52184.4215 -109142.4992 299.9046 -161326.9207 -108775.7985 299.1901 50.0583 73.5500 762724.7020 5.1310 5.2554 PRESSURE: 1140600 -540.417 -20.3223 -143.503 -20.323 -244.769 168.157 -143.503 168.157 -269.091 GPRESSURE: 1140600 -473.051 -100.379 -194.715 6.84857 -229.339 216.113 -60.7028 28.7366 -260.775 PRESSAVG: 1140600 -17.8611 -4.07431 25.1894 -4.0743 45.5831 24.1062 25.1894 24.1062 -5.80801 GPRESSAVG: 1140600 -16.3801 -6.62615 24.6021 -3.6023 45.9755 21.9698 26.8671 25.8372 -7.94169 TIMING: 1140600 CPU: 3558.77, 0.0031585/step Wall: 3558.77, 0.0031585/step, 3.38608 hours remaining, 235.476562 MB of memory in use. ENERGY: 1140600 4033.7445 20499.9434 14509.3119 245.8167 -202970.3060 2551.9169 0.0000 0.0000 52043.6091 -109085.9635 299.0953 -161129.5726 -108733.7573 299.1069 -351.4255 -321.0551 762472.9648 7.3047 7.2179 PRESSURE: 1140800 -190.641 -154.338 35.8489 -154.337 -26.9757 301.409 35.8494 301.408 -196.428 GPRESSURE: 1140800 -170.416 -222.244 30.677 -109.64 -12.2715 290.147 13.3529 280.09 -147.955 PRESSAVG: 1140800 -3.01231 -8.06859 71.7888 -8.06858 44.7631 48.2025 71.7888 48.2025 -1.39643 GPRESSAVG: 1140800 -3.62801 -5.90623 72.1021 -6.33814 44.6333 48.7158 73.0339 47.1517 -0.121916 TIMING: 1140800 CPU: 3559.39, 0.00312267/step Wall: 3559.39, 0.00312267/step, 3.3475 hours remaining, 235.476562 MB of memory in use. ENERGY: 1140800 4033.4397 20571.1864 14521.0643 246.1451 -203097.6169 2656.3352 0.0000 0.0000 52360.6762 -108708.7701 300.9175 -161069.4463 -108356.6330 299.7046 -138.0149 -110.2142 762160.0008 13.4515 13.6278 PRESSURE: 1141000 -256.732 202.823 255.943 202.823 138.238 -22.6376 255.943 -22.6372 94.8045 GPRESSURE: 1141000 -146.696 200.322 90.699 134.341 201.818 -63.7285 120.393 94.8525 -0.0632028 PRESSAVG: 1141000 -32.0841 -3.9562 5.38364 -3.9562 5.60878 10.2278 5.38371 10.2278 10.2545 GPRESSAVG: 1141000 -30.6412 -5.19445 5.64498 -6.74428 5.47887 11.4135 2.88303 10.2946 9.08753 TIMING: 1141000 CPU: 3560.01, 0.00311418/step Wall: 3560.01, 0.00311418/step, 3.33823 hours remaining, 235.476562 MB of memory in use. ENERGY: 1141000 3981.1781 20553.0011 14464.5836 250.5491 -203195.1819 2775.3569 0.0000 0.0000 52296.1873 -108874.3259 300.5469 -161170.5132 -108508.6697 299.5192 -7.8964 18.3528 762688.3811 -5.4069 -5.3583 PRESSURE: 1141200 -387.15 -141.385 -56.7026 -141.385 -415.61 71.7776 -56.7023 71.7786 294.789 GPRESSURE: 1141200 -386.742 -65.818 -61.3041 -174.051 -301.497 -30.1393 -101.283 114.997 272.078 PRESSAVG: 1141200 48.7029 0.462216 -38.2149 0.462197 -35.0146 -6.64633 -38.2149 -6.64631 -6.67835 GPRESSAVG: 1141200 48.0197 0.658214 -38.3801 1.57742 -34.3727 -7.49825 -39.338 -7.24075 -6.06227 TIMING: 1141200 CPU: 3560.64, 0.00311272/step Wall: 3560.64, 0.00311272/step, 3.33649 hours remaining, 235.476562 MB of memory in use. ENERGY: 1141200 4050.7942 20626.2206 14434.6473 270.8342 -202651.0260 2383.8258 0.0000 0.0000 52108.5570 -108776.1469 299.4686 -160884.7039 -108424.2512 300.2236 -169.3236 -138.7201 763389.7148 2.3366 2.5283 PRESSURE: 1141400 -201.078 16.886 -319.559 16.8858 220.202 -290.495 -319.559 -290.496 351.6 GPRESSURE: 1141400 -118.483 87.6101 -252.621 15.9736 260.106 -220.306 -317.903 -277.844 323.022 PRESSAVG: 1141400 -59.9105 -16.4968 24.4053 -16.4968 56.4008 15.2621 24.4052 15.2621 -3.75617 GPRESSAVG: 1141400 -60.8628 -14.9473 25.2796 -14.4503 57.3989 14.9503 26.1365 15.373 -3.93361 TIMING: 1141400 CPU: 3561.27, 0.00314163/step Wall: 3561.27, 0.00314163/step, 3.3673 hours remaining, 235.476562 MB of memory in use. ENERGY: 1141400 3954.1573 20748.4127 14408.0599 241.5130 -203289.7631 2766.4638 0.0000 0.0000 52071.3287 -109099.8277 299.2546 -161171.1564 -108743.4111 300.1373 123.5745 154.8819 762247.6150 -2.4220 -2.4658 PRESSURE: 1141600 -281.367 -84.4212 -0.772381 -84.422 -245.362 -135.489 -0.772589 -135.49 -79.3079 GPRESSURE: 1141600 -213.124 -151.628 2.57591 -146.973 -256.175 -95.2217 -70.7143 -93.4056 -67.569 PRESSAVG: 1141600 -91.8692 37.1809 -36.6764 37.1809 44.9848 -26.4381 -36.6764 -26.4381 26.7062 GPRESSAVG: 1141600 -91.0279 36.262 -37.6399 34.6282 43.5216 -25.1796 -36.8451 -27.0298 27.4503 TIMING: 1141600 CPU: 3561.89, 0.00312601/step Wall: 3561.89, 0.00312601/step, 3.35038 hours remaining, 235.476562 MB of memory in use. ENERGY: 1141600 3925.4783 20473.4813 14446.5072 249.6739 -203355.9757 2816.1889 0.0000 0.0000 52311.0242 -109133.6219 300.6322 -161444.6461 -108764.1180 299.3722 -202.0123 -178.9560 761855.2691 -6.7261 -6.6854 PRESSURE: 1141800 -65.2279 68.3853 126.97 68.3853 7.17825 -69.6406 126.971 -69.6402 3.45415 GPRESSURE: 1141800 -3.67765 102.81 125.68 89.9997 30.7629 -148.65 23.3728 -63.8693 -15.156 PRESSAVG: 1141800 -28.3033 -17.6543 -7.39127 -17.6543 30.8817 -45.2694 -7.39129 -45.2694 5.29883 GPRESSAVG: 1141800 -28.5092 -19.904 -6.38344 -16.1053 30.8444 -46.8072 -7.26673 -43.1022 5.39197 TIMING: 1141800 CPU: 3562.52, 0.0031282/step Wall: 3562.52, 0.0031282/step, 3.35256 hours remaining, 235.476562 MB of memory in use. ENERGY: 1141800 3977.2000 20704.5621 14501.6218 226.6137 -203477.6447 2888.9118 0.0000 0.0000 52102.9687 -109075.7667 299.4365 -161178.7354 -108716.4884 299.4005 -18.1985 3.9764 763067.9378 2.6257 2.5757 PRESSURE: 1142000 114.936 -30.5124 94.9824 -30.5123 79.2367 -8.55792 94.9824 -8.55813 221.971 GPRESSURE: 1142000 106.807 -54.7733 173.241 -7.63026 124.64 60.6989 50.6736 -28.0109 266.882 PRESSAVG: 1142000 -34.5 -26.7679 10.0412 -26.7679 51.0918 19.0643 10.0411 19.0643 9.09462 GPRESSAVG: 1142000 -32.9602 -22.1084 8.37532 -27.4524 51.5932 20.5972 10.9106 17.6168 6.87443 TIMING: 1142000 CPU: 3563.14, 0.00311434/step Wall: 3563.14, 0.00311434/step, 3.33754 hours remaining, 235.476562 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: 1142000 4038.9302 20476.4068 14423.2923 260.8964 -202941.0620 2717.0189 0.0000 0.0000 52025.4459 -108999.0716 298.9910 -161024.5174 -108639.2767 299.6513 138.7146 166.1096 764225.2190 8.5621 8.5025 PRESSURE: 1142200 -30.8288 -50.055 -143.499 -50.0555 13.1246 57.0691 -143.499 57.0699 -38.5634 GPRESSURE: 1142200 21.3228 -222.841 -171.602 -132.791 29.3755 98.6314 -119.912 -17.6036 -16.7008 PRESSAVG: 1142200 -20.7154 -15.5007 18.1039 -15.5007 30.1266 -8.23439 18.104 -8.23437 -26.378 GPRESSAVG: 1142200 -21.7596 -19.2811 17.6765 -15.9427 29.5612 -8.11872 17.0849 -6.8684 -24.8388 TIMING: 1142200 CPU: 3563.77, 0.00313281/step Wall: 3563.77, 0.00313281/step, 3.35716 hours remaining, 235.476562 MB of memory in use. ENERGY: 1142200 4021.9394 20563.7688 14433.1972 268.0495 -203350.6634 2823.1171 0.0000 0.0000 52150.0830 -109090.5084 299.7072 -161240.5914 -108728.2829 299.5786 -18.7559 11.3325 762969.0857 -5.6556 -5.6791 PRESSURE: 1142400 91.3023 171.374 209.968 171.374 76.0227 -108.868 209.968 -108.867 91.5597 GPRESSURE: 1142400 141.155 250.797 246.134 225.683 103.325 -57.3635 91.3403 -178.352 95.4221 PRESSAVG: 1142400 -38.6983 -40.2033 38.973 -40.2033 27.3455 -35.8987 38.973 -35.8987 10.1087 GPRESSAVG: 1142400 -39.2755 -40.1816 39.4035 -40.8163 27.5776 -36.9062 39.9926 -35.2123 10.2138 TIMING: 1142400 CPU: 3564.39, 0.00312773/step Wall: 3564.39, 0.00312773/step, 3.35153 hours remaining, 235.476562 MB of memory in use. ENERGY: 1142400 4085.9501 20562.8835 14457.5164 261.4493 -203503.0730 2901.4738 0.0000 0.0000 52134.0022 -109099.7977 299.6148 -161233.7999 -108746.2522 300.0000 86.2949 113.3006 762236.9783 -0.4147 -0.4947 PRESSURE: 1142600 203.378 -14.5279 130.948 -14.5275 29.4068 -85.3778 130.947 -85.3785 -186.923 GPRESSURE: 1142600 187.94 -23.1849 143.093 68.0079 126.811 -148.294 -4.84162 -17.8436 -188.402 PRESSAVG: 1142600 -67.4497 -49.3617 14.2017 -49.3617 72.9629 -24.9212 14.2017 -24.9211 -18.9751 GPRESSAVG: 1142600 -67.8852 -46.63 14.435 -46.4736 73.391 -26.2095 14.2922 -24.4267 -18.5777 TIMING: 1142600 CPU: 3565.01, 0.0031185/step Wall: 3565.01, 0.0031185/step, 3.34147 hours remaining, 235.476562 MB of memory in use. ENERGY: 1142600 3958.8307 20611.8864 14381.2151 248.4733 -203629.9328 3005.6794 0.0000 0.0000 52206.2949 -109217.5530 300.0303 -161423.8479 -108848.9808 299.6413 15.2871 42.1162 763557.4451 -4.4873 -4.3573 PRESSURE: 1142800 403.675 -176.717 -134.169 -176.718 12.1524 -77.113 -134.169 -77.1125 -26.2883 GPRESSURE: 1142800 313.219 -126.056 -97.2682 -175.493 64.1989 -16.6129 -75.4869 -35.9611 92.9923 PRESSAVG: 1142800 1.66321 -12.1119 -7.63089 -12.1119 2.81477 -6.22515 -7.63087 -6.22505 -35.4692 GPRESSAVG: 1142800 2.18092 -14.1624 -5.78314 -13.3627 2.04556 -4.40846 -9.67227 -6.3333 -34.9682 TIMING: 1142800 CPU: 3565.64, 0.00312746/step Wall: 3565.64, 0.00312746/step, 3.3509 hours remaining, 235.476562 MB of memory in use. ENERGY: 1142800 4011.2850 20444.2684 14422.0984 238.6064 -203579.6280 2989.5677 0.0000 0.0000 52147.9438 -109325.8583 299.6949 -161473.8021 -108960.5538 298.8954 129.8463 156.8033 762317.5655 -10.3304 -10.2472 PRESSURE: 1143000 -152.307 -58.5274 12.2339 -58.5284 -59.8534 -244.907 12.2341 -244.907 -189.571 GPRESSURE: 1143000 43.237 10.5435 75.1323 -89.7135 -93.5063 -175.954 6.06787 -131.427 -260.354 PRESSAVG: 1143000 66.2242 6.66795 -5.55928 6.66801 -15.4037 -26.9414 -5.55926 -26.9413 -0.73646 GPRESSAVG: 1143000 66.2273 5.7253 -6.15164 6.89449 -14.2468 -27.8957 -5.99777 -24.7898 -1.86094 TIMING: 1143000 CPU: 3566.27, 0.00312531/step Wall: 3566.27, 0.00312531/step, 3.34842 hours remaining, 235.476562 MB of memory in use. ENERGY: 1143000 3989.0989 20547.7594 14354.5722 240.5644 -203229.9209 2667.9575 0.0000 0.0000 51946.0961 -109483.8725 298.5349 -161429.9685 -109119.6197 298.4167 -133.9103 -103.5411 765244.1101 16.6947 16.7065 PRESSURE: 1143200 -376.311 50.794 -97.8826 50.7946 320.917 88.4842 -97.8833 88.4846 222.819 GPRESSURE: 1143200 -347.276 64.599 -66.0527 -153.939 379.656 31.7098 -128.712 0.78523 230.386 PRESSAVG: 1143200 -13.2922 22.7321 53.295 22.7321 1.15296 -61.039 53.2949 -61.0389 1.59457 GPRESSAVG: 1143200 -12.2669 23.9657 51.0971 20.7895 0.995036 -58.8787 55.9196 -64.6474 0.521219 TIMING: 1143200 CPU: 3566.89, 0.00314507/step Wall: 3566.89, 0.00314507/step, 3.36942 hours remaining, 235.476562 MB of memory in use. ENERGY: 1143200 4005.6543 20501.9588 14449.1536 253.3190 -203916.1074 3344.7764 0.0000 0.0000 51988.0880 -109373.1572 298.7763 -161361.2452 -109020.3568 298.5008 55.8079 87.5888 765199.5958 -3.5149 -3.5836 PRESSURE: 1143400 -174.004 -6.79215 156.475 -6.79176 -46.8865 308.418 156.475 308.419 256.147 GPRESSURE: 1143400 -79.094 -118.487 175.412 50.2863 -42.2013 259.118 93.0852 403.88 231.704 PRESSAVG: 1143400 -41.8075 0.687641 -11.4153 0.687662 10.235 -2.77002 -11.4153 -2.76997 1.61571 GPRESSAVG: 1143400 -41.8483 -0.492121 -9.88724 3.37338 9.01036 -5.14176 -12.1182 -2.77232 2.65628 TIMING: 1143400 CPU: 3567.52, 0.00311987/step Wall: 3567.52, 0.00311987/step, 3.34224 hours remaining, 235.476562 MB of memory in use. ENERGY: 1143400 3988.0487 20417.3424 14410.2554 258.2860 -203333.9899 2708.6744 0.0000 0.0000 51883.6824 -109667.7005 298.1762 -161551.3829 -109302.8057 298.6218 11.7522 36.8030 764409.6620 -9.9856 -10.0606 PRESSURE: 1143600 -244.378 84.3234 170.002 84.3236 -109.877 -33.2751 170.002 -33.2753 -213.932 GPRESSURE: 1143600 -224.207 139.584 147.192 118.553 -118.256 -116.209 74.8795 82.4327 -147.948 PRESSAVG: 1143600 -31.8699 43.6925 -57.0884 43.6926 -10.7769 -28.0978 -57.0884 -28.0977 -15.2177 GPRESSAVG: 1143600 -32.9907 46.4494 -56.1821 41.752 -10.4038 -27.7504 -56.2009 -27.5309 -14.7371 TIMING: 1143600 CPU: 3568.14, 0.003128/step Wall: 3568.14, 0.003128/step, 3.35079 hours remaining, 235.476562 MB of memory in use. ENERGY: 1143600 4039.7985 20611.3331 14473.6092 253.0595 -204073.2811 3165.8438 0.0000 0.0000 51866.2421 -109663.3949 298.0760 -161529.6370 -109309.6920 298.5392 -189.3957 -163.4706 762659.9661 -19.2882 -19.3772 PRESSURE: 1143800 -221.04 -22.3277 -93.1787 -22.3279 -338.63 127.287 -93.1785 127.287 -243.232 GPRESSURE: 1143800 -213.679 -45.3826 -71.1995 -43.9757 -314.484 112.495 -160.672 55.9242 -188.896 PRESSAVG: 1143800 -55.4271 27.2591 82.522 27.259 90.4711 0.586229 82.522 0.586163 -7.19493 GPRESSAVG: 1143800 -55.6022 24.2149 81.5575 29.2043 90.8729 1.85392 82.2831 -0.985528 -7.78123 TIMING: 1143800 CPU: 3568.77, 0.00312153/step Wall: 3568.77, 0.00312153/step, 3.34368 hours remaining, 235.476562 MB of memory in use. ENERGY: 1143800 3947.7820 20567.8181 14405.8509 237.9829 -203778.1767 2915.5537 0.0000 0.0000 52186.0031 -109517.1860 299.9137 -161703.1891 -109158.9674 298.5885 -267.6341 -239.0199 761603.0261 9.2830 9.1632 PRESSURE: 1144000 133.875 -90.4122 -312.251 -90.4129 -40.4906 158.328 -312.251 158.328 6.73263 GPRESSURE: 1144000 129.601 -62.6186 -352.412 -111.718 -18.9265 150.724 -181.541 2.31004 69.2607 PRESSAVG: 1144000 -35.0839 38.6234 -12.1406 38.6235 35.8573 6.33577 -12.1406 6.33581 2.28651 GPRESSAVG: 1144000 -35.4388 40.1724 -11.9751 36.8611 36.9636 5.93041 -13.147 7.98795 2.12214 TIMING: 1144000 CPU: 3569.39, 0.0031237/step Wall: 3569.39, 0.0031237/step, 3.34583 hours remaining, 235.476562 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: 1144000 4014.4786 20651.0027 14397.4454 240.3413 -203882.9616 2925.6275 0.0000 0.0000 51998.0243 -109656.0418 298.8334 -161654.0662 -109303.2165 298.3779 33.3723 59.9783 761276.4597 1.0200 1.2156 PRESSURE: 1144200 -36.1199 8.3895 -182.861 8.38909 46.9883 -107.701 -182.861 -107.701 -261.182 GPRESSURE: 1144200 54.7433 105.821 -144.101 57.0277 -17.7341 -177.668 -106.535 -56.2951 -193.805 PRESSAVG: 1144200 44.7718 29.642 30.6339 29.642 22.9261 12.2582 30.6339 12.2582 -10.1417 GPRESSAVG: 1144200 46.5576 29.0117 31.259 29.8878 20.7128 11.8052 31.06 10.2059 -10.0438 TIMING: 1144200 CPU: 3570.02, 0.00313476/step Wall: 3570.02, 0.00313476/step, 3.35751 hours remaining, 235.476562 MB of memory in use. ENERGY: 1144200 3947.7312 20422.2376 14442.1220 251.5479 -203685.2694 2953.6181 0.0000 0.0000 51917.8706 -109750.1420 298.3727 -161668.0127 -109380.2987 297.6027 -83.4379 -52.2653 762907.2554 19.1854 19.0755 LDB: ============= START OF LOAD BALANCING ============== 3582.5 LDB: ============== END OF LOAD BALANCING =============== 3582.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3582.5 LDB: ============= START OF LOAD BALANCING ============== 3582.81 LDB: Largest compute 6972 load 0.031525 is 16.2% of average load 0.195123 LDB: Average compute 0.004384 is 2.2% of average load 0.195123 LDB: TIME 3582.82 LOAD: AVG 0.195123 MAX 0.216859 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.562 MB LDB: TIME 3582.82 LOAD: AVG 0.195123 MAX 0.216859 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.629 MB LDB: TIME 3582.82 LOAD: AVG 0.195123 MAX 0.216859 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.629 MB LDB: ============== END OF LOAD BALANCING =============== 3582.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3582.83 PRESSURE: 1144400 4.03658 13.4967 -161.733 13.496 13.0822 49.1229 -161.734 49.1238 -182.648 GPRESSURE: 1144400 56.0086 37.0715 -150.508 -12.6108 56.7812 67.072 -14.7271 -4.7226 -182.898 PRESSAVG: 1144400 35.8745 75.9654 -19.0999 75.9653 -39.9689 -4.58811 -19.0999 -4.58809 10.4124 GPRESSAVG: 1144400 34.6746 76.1238 -20.714 76.3031 -40.6174 -4.32771 -18.2312 -3.25699 12.0506 TIMING: 1144400 CPU: 3570.66, 0.00319869/step Wall: 3570.66, 0.00319869/step, 3.42579 hours remaining, 233.980469 MB of memory in use. ENERGY: 1144400 3937.5253 20458.5466 14389.8650 251.6681 -203464.6923 2706.3889 0.0000 0.0000 51932.1468 -109788.5516 298.4548 -161720.6984 -109428.7620 297.8964 -55.1762 -23.3694 762689.2142 2.1060 2.0359 PRESSURE: 1144600 -166 -240.266 -113.003 -240.266 -234.111 -72.5259 -113.003 -72.5259 59.81 GPRESSURE: 1144600 -177.655 -110.546 -47.4962 -163.785 -111.275 20.7178 -255.679 -144.351 27.0525 PRESSAVG: 1144600 -18.1043 41.089 -5.78438 41.089 38.6173 -17.2832 -5.7844 -17.2833 -3.79461 GPRESSAVG: 1144600 -17.3781 40.0605 -5.1654 40.613 39.1588 -16.4274 -5.49137 -16.6189 -4.95907 TIMING: 1144600 CPU: 3571.28, 0.00310674/step Wall: 3571.28, 0.00310674/step, 3.32715 hours remaining, 233.980469 MB of memory in use. ENERGY: 1144600 3973.4036 20528.5294 14368.0087 263.2322 -203606.6438 2896.9369 0.0000 0.0000 51750.4189 -109826.1141 297.4104 -161576.5330 -109467.9643 298.1881 -113.4337 -87.2926 763401.0908 5.5728 5.6072 PRESSURE: 1144800 -102.639 -105.315 255.792 -105.314 -267.935 17.515 255.793 17.5144 -92.655 GPRESSURE: 1144800 -99.4083 -263.396 312.602 -102.925 -267.228 -156.991 141.533 136.415 -18.3802 PRESSAVG: 1144800 -13.3521 30.2039 19.4945 30.2039 -12.0214 22.5065 19.4945 22.5064 0.382694 GPRESSAVG: 1144800 -12.7897 32.9947 19.2361 30.4708 -11.7376 20.843 17.5167 21.5882 -0.683237 TIMING: 1144800 CPU: 3571.9, 0.00309119/step Wall: 3571.9, 0.00309119/step, 3.31032 hours remaining, 233.980469 MB of memory in use. ENERGY: 1144800 3992.6895 20549.6287 14354.9944 254.4787 -203671.5477 2889.0355 0.0000 0.0000 51884.3129 -109746.4079 298.1799 -161630.7208 -109385.9210 298.0629 -154.4096 -128.3388 763004.3630 -8.3303 -8.4035 PRESSURE: 1145000 -148.406 -97.3052 -38.009 -97.3044 -179.006 7.51705 -38.0086 7.51753 -283.433 GPRESSURE: 1145000 -194.086 -134.164 -52.1046 -39.9003 -144.665 -4.78124 86.3053 175.983 -224.659 PRESSAVG: 1145000 -23.0495 9.7258 23.1778 9.72588 69.3669 -19.8174 23.1778 -19.8174 4.33687 GPRESSAVG: 1145000 -23.1485 8.14082 23.0182 11.6049 69.5437 -18.2789 23.7986 -18.62 4.8705 TIMING: 1145000 CPU: 3572.52, 0.00309929/step Wall: 3572.52, 0.00309929/step, 3.31883 hours remaining, 233.980469 MB of memory in use. ENERGY: 1145000 3966.9367 20630.7513 14454.2426 256.6875 -203925.6109 2918.2490 0.0000 0.0000 52079.3339 -109619.4100 299.3006 -161698.7439 -109258.9129 298.5143 -203.6152 -187.8035 762692.3710 16.8848 17.0886 PRESSURE: 1145200 204.253 92.0474 -10.852 92.0475 184.343 21.9683 -10.8518 21.9689 428.976 GPRESSURE: 1145200 175.669 70.8882 -5.07911 113.785 311.015 -43.2957 -67.2814 -147.789 403.823 PRESSAVG: 1145200 1.28187 38.8152 -3.71155 38.8153 -4.10007 -21.0945 -3.71158 -21.0945 15.3467 GPRESSAVG: 1145200 0.399915 38.586 -3.73277 37.5827 -2.64957 -21.308 -2.57177 -21.4449 14.6556 TIMING: 1145200 CPU: 3573.14, 0.00310249/step Wall: 3573.14, 0.00310249/step, 3.32207 hours remaining, 233.980469 MB of memory in use. ENERGY: 1145200 3941.1340 20439.2346 14430.2395 248.8984 -203856.3201 3213.4603 0.0000 0.0000 51849.9518 -109733.4016 297.9824 -161583.3534 -109362.2128 298.4718 272.5242 296.8355 763901.0446 4.1762 4.1353 PRESSURE: 1145400 -35.4918 87.8965 -30.8914 87.8965 -61.9117 13.5248 -30.8912 13.5252 -167.971 GPRESSURE: 1145400 -22.2053 13.7751 37.3339 46.2243 -7.53379 -49.2823 -148.015 93.4127 -169.707 PRESSAVG: 1145400 -42.973 -8.01106 -21.7991 -8.01106 41.5911 13.8781 -21.7992 13.8781 -9.87653 GPRESSAVG: 1145400 -42.4288 -6.33468 -22.262 -8.38347 40.5887 12.7936 -23.7971 12.1638 -9.17449 TIMING: 1145400 CPU: 3573.77, 0.00312936/step Wall: 3573.77, 0.00312936/step, 3.35068 hours remaining, 233.980469 MB of memory in use. ENERGY: 1145400 3958.6871 20393.9815 14462.1657 259.3140 -203937.3150 3079.7228 0.0000 0.0000 51795.8716 -109987.5722 297.6716 -161783.4439 -109610.6190 298.1221 -88.4583 -66.4820 763999.6066 -3.7528 -3.6715 PRESSURE: 1145600 97.286 173.984 -6.35481 173.983 -301.958 -185.713 -6.35504 -185.713 -206.844 GPRESSURE: 1145600 104.593 72.0769 14.8419 87.2579 -251.974 -89.5477 -93.0385 62.0411 -163.527 PRESSAVG: 1145600 44.3796 -9.81067 -12.5946 -9.81066 -35.1137 4.70829 -12.5947 4.70826 8.60927 GPRESSAVG: 1145600 44.5014 -9.63029 -12.5981 -10.767 -35.0375 6.48519 -12.8194 6.38706 8.36083 TIMING: 1145600 CPU: 3574.39, 0.00312685/step Wall: 3574.39, 0.00312685/step, 3.34781 hours remaining, 233.980469 MB of memory in use. ENERGY: 1145600 3973.9789 20428.1977 14461.4082 250.4296 -204051.6064 3082.1415 0.0000 0.0000 51971.8024 -109883.6482 298.6827 -161855.4505 -109511.9433 298.1653 -137.1721 -103.6359 762594.2190 5.9584 5.9416 PRESSURE: 1145800 36.4426 144.765 141.235 144.765 -70.289 -80.1589 141.234 -80.1597 -370.594 GPRESSURE: 1145800 40.4625 139.282 148.177 87.2491 1.07888 -67.7049 67.5525 -187.968 -366.736 PRESSAVG: 1145800 23.1824 -14.4637 -3.07949 -14.4637 -23.7815 38.5058 -3.07946 38.5058 -7.5449 GPRESSAVG: 1145800 23.2148 -13.1354 -1.70533 -14.0978 -22.8231 37.2773 -2.0318 37.1252 -8.24265 TIMING: 1145800 CPU: 3575.02, 0.00312305/step Wall: 3575.02, 0.00312305/step, 3.34357 hours remaining, 233.980469 MB of memory in use. ENERGY: 1145800 4040.6436 20514.7850 14429.5395 249.4551 -203467.2292 2725.7383 0.0000 0.0000 51865.6223 -109641.4454 298.0724 -161507.0677 -109279.6228 297.9237 -134.8134 -108.3982 762709.1024 -2.7147 -2.6170 PRESSURE: 1146000 -394.212 -180.54 -32.1479 -180.54 -247.815 -333.124 -32.1475 -333.124 -437.925 GPRESSURE: 1146000 -375.539 -137.224 -50.8877 -58.3457 -234.811 -234.505 14.1193 -218.805 -368.508 PRESSAVG: 1146000 -49.1585 -28.1962 19.0279 -28.1962 0.494116 8.95886 19.0278 8.95889 -9.71788 GPRESSAVG: 1146000 -48.2343 -30.8427 18.3209 -26.9772 -0.117537 10.1767 18.8988 9.5394 -10.0596 TIMING: 1146000 CPU: 3575.64, 0.00311628/step Wall: 3575.64, 0.00311628/step, 3.33615 hours remaining, 233.980469 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: 1146000 4105.0921 20586.3850 14477.0648 244.7858 -203796.3542 2769.3499 0.0000 0.0000 51836.5157 -109777.1608 297.9052 -161613.6765 -109427.1167 298.8359 -359.9837 -326.2859 761366.6533 -19.4608 -19.4705 PRESSURE: 1146200 -53.984 -0.253658 -105.294 -0.253521 166.931 187.232 -105.295 187.233 347.043 GPRESSURE: 1146200 -10.7521 -43.7608 -154.588 34.4381 192.388 268.635 -50.3047 119.352 364.887 PRESSAVG: 1146200 -11.6242 63.8626 -1.81032 63.8626 1.50533 -40.2272 -1.81032 -40.2272 29.0764 GPRESSAVG: 1146200 -11.1156 64.5628 -2.31728 62.3844 0.379077 -40.9131 -1.74908 -39.2195 29.8434 TIMING: 1146200 CPU: 3576.26, 0.00311897/step Wall: 3576.26, 0.00311897/step, 3.33886 hours remaining, 233.980469 MB of memory in use. ENERGY: 1146200 4023.6040 20419.6058 14466.4263 238.0214 -203756.2941 2875.0893 0.0000 0.0000 52014.1790 -109719.3684 298.9262 -161733.5474 -109348.4443 298.1445 153.3299 182.1744 762630.7131 6.3192 6.3690 PRESSURE: 1146400 -18.3029 -14.1183 113.229 -14.1179 -187.945 -132.222 113.229 -132.222 132.402 GPRESSURE: 1146400 14.477 -136.554 152.868 78.2528 -127.213 -83.9586 122.015 -54.9883 151.435 PRESSAVG: 1146400 6.09394 38.9729 8.8855 38.9729 -25.7051 0.641954 8.88548 0.641929 18.9918 GPRESSAVG: 1146400 4.35868 38.8684 8.09874 38.9338 -24.0863 0.400409 9.70958 -0.848621 18.9674 TIMING: 1146400 CPU: 3576.89, 0.00313649/step Wall: 3576.89, 0.00313649/step, 3.35744 hours remaining, 233.980469 MB of memory in use. ENERGY: 1146400 4027.2695 20509.1659 14411.2912 251.7981 -203518.4803 2940.0593 0.0000 0.0000 51805.5174 -109573.3788 297.7270 -161378.8963 -109211.5870 298.2906 -24.6153 12.8995 763182.2374 -0.2064 -0.2534 PRESSURE: 1146600 18.1008 -42.5305 -115.028 -42.5295 -431.615 71.5063 -115.028 71.5058 -188.302 GPRESSURE: 1146600 -31.7667 -89.7005 -134.669 160.077 -342.365 48.5128 -105.288 130.02 -131.22 PRESSAVG: 1146600 27.3296 37.4975 20.8765 37.4975 -39.4164 -52.0272 20.8765 -52.0272 8.49506 GPRESSAVG: 1146600 26.6019 38.3715 22.7616 39.3794 -39.3612 -51.7747 19.878 -50.706 9.37158 TIMING: 1146600 CPU: 3577.51, 0.0031195/step Wall: 3577.51, 0.0031195/step, 3.33908 hours remaining, 233.980469 MB of memory in use. ENERGY: 1146600 4071.8858 20401.2740 14392.1385 244.9499 -203422.0737 2885.8421 0.0000 0.0000 51888.4430 -109537.5405 298.2036 -161425.9835 -109180.2227 297.8729 -200.6054 -168.4508 763877.0030 -1.1973 -1.1292 PRESSURE: 1146800 -300.094 -164.921 96.1855 -164.921 -169.343 32.0423 96.1836 32.0419 -9.58061 GPRESSURE: 1146800 -269.275 -144.41 135.902 -36.0153 -95.7252 -57.8815 143.954 -86.8096 -29.8302 PRESSAVG: 1146800 21.8958 15.9923 24.2896 15.9923 -18.2711 -32.2876 24.2896 -32.2877 15.0389 GPRESSAVG: 1146800 22.2073 12.2272 22.6251 15.2418 -17.8427 -32.6891 24.4415 -34.603 14.2778 TIMING: 1146800 CPU: 3578.14, 0.00311821/step Wall: 3578.14, 0.00311821/step, 3.33753 hours remaining, 233.980469 MB of memory in use. ENERGY: 1146800 3962.4093 20566.8019 14428.2806 251.5310 -203564.2806 2885.1666 0.0000 0.0000 52079.8558 -109390.2354 299.3036 -161470.0912 -109024.0780 298.1131 -159.6724 -131.6102 762522.1541 6.2212 6.2141 PRESSURE: 1147000 113.005 11.488 158.931 11.4884 205.862 -1.25802 158.932 -1.25922 60.6092 GPRESSURE: 1147000 128.761 110.757 214.55 55.3455 181.349 59.6674 67.0509 39.6111 138.736 PRESSAVG: 1147000 -28.2474 1.20385 63.0419 1.20382 28.4347 18.6262 63.042 18.6261 24.8757 GPRESSAVG: 1147000 -28.1201 4.88837 63.8225 0.142854 28.2103 17.4321 63.5577 21.8715 24.7826 TIMING: 1147000 CPU: 3578.76, 0.00312968/step Wall: 3578.76, 0.00312968/step, 3.34963 hours remaining, 233.980469 MB of memory in use. ENERGY: 1147000 3912.3706 20426.3104 14396.1281 249.7606 -203314.1389 2786.2229 0.0000 0.0000 51941.9068 -109601.4394 298.5109 -161543.3462 -109235.9612 298.3208 126.4918 149.6153 763159.4895 8.3543 8.2909 PRESSURE: 1147200 -235.766 90.3956 -15.5813 90.3964 -20.2016 43.5986 -15.5811 43.5994 173.713 GPRESSURE: 1147200 -160.319 191.438 -85.3797 71.9544 -5.11067 -8.54259 -48.2878 -37.0897 152.764 PRESSAVG: 1147200 4.94919 35.443 58.923 35.4431 25.6707 -31.5285 58.923 -31.5285 -16.0912 GPRESSAVG: 1147200 4.32823 33.5603 58.8186 34.3906 25.7816 -29.9244 56.9313 -32.8204 -15.5058 TIMING: 1147200 CPU: 3579.39, 0.00313791/step Wall: 3579.39, 0.00313791/step, 3.35826 hours remaining, 233.980469 MB of memory in use. ENERGY: 1147200 3913.5818 20661.4002 14337.1087 240.0216 -203291.7482 2759.3657 0.0000 0.0000 51739.0212 -109641.2489 297.3449 -161380.2701 -109281.6805 298.3399 -27.4182 -4.2218 762788.5839 4.8429 4.8680 PRESSURE: 1147400 47.6319 -56.2648 99.7431 -56.2653 -253.632 19.2921 99.7431 19.2916 -30.3292 GPRESSURE: 1147400 152.216 -84.7716 131.242 26.8647 -215.47 21.1173 141.469 16.6675 -81.4106 PRESSAVG: 1147400 -8.78498 56.5971 27.2507 56.597 -22.4542 -12.0924 27.2507 -12.0924 -15.4254 GPRESSAVG: 1147400 -7.55107 57.7081 27.3082 56.9752 -24.4719 -11.4489 31.0121 -13.956 -14.1896 TIMING: 1147400 CPU: 3580.02, 0.00313098/step Wall: 3580.02, 0.00313098/step, 3.35067 hours remaining, 233.980469 MB of memory in use. ENERGY: 1147400 3962.8234 20600.4649 14432.5382 240.9498 -203762.5476 2982.5392 0.0000 0.0000 51919.9710 -109623.2610 298.3848 -161543.2320 -109260.7749 298.2282 -78.7766 -48.2215 763476.3828 -15.5548 -15.4042 PRESSURE: 1147600 243.301 -54.4837 75.5826 -54.4836 -12.5162 -37.2083 75.583 -37.2077 515.56 GPRESSURE: 1147600 323.573 -47.2608 108.512 -35.4471 -22.392 -89.9525 -4.50683 -33.6239 532.48 PRESSAVG: 1147600 31.4389 16.6872 39.2862 16.6872 -35.2626 -41.7342 39.2862 -41.7342 26.3945 GPRESSAVG: 1147600 31.3473 15.8099 38.0821 16.4322 -33.2566 -41.7126 37.4658 -39.5182 24.4757 TIMING: 1147600 CPU: 3580.64, 0.0031367/step Wall: 3580.64, 0.0031367/step, 3.35662 hours remaining, 233.980469 MB of memory in use. ENERGY: 1147600 3970.5382 20406.4484 14435.2042 254.9631 -203714.9800 3022.2303 0.0000 0.0000 52023.7836 -109601.8123 298.9814 -161625.5959 -109236.9755 298.5024 248.7814 277.8872 762392.9099 7.5236 7.5222 PRESSURE: 1147800 -37.194 -135.115 50.1131 -135.115 -39.8399 75.8306 50.1133 75.8301 40.9653 GPRESSURE: 1147800 -18.4779 -20.8631 -8.20342 -16.8604 28.8724 66.7228 47.0097 30.6678 37.6054 PRESSAVG: 1147800 5.27282 -18.7781 54.1387 -18.778 -15.9213 24.6869 54.1387 24.687 1.25742 GPRESSAVG: 1147800 4.71296 -19.4236 55.548 -17.5073 -15.9885 26.2586 52.738 22.3937 1.94129 TIMING: 1147800 CPU: 3581.27, 0.00313824/step Wall: 3581.27, 0.00313824/step, 3.3581 hours remaining, 233.980469 MB of memory in use. ENERGY: 1147800 3979.7980 20472.2920 14422.9087 249.7439 -203410.2995 2976.8085 0.0000 0.0000 51620.9324 -109687.8158 296.6662 -161308.7483 -109330.8004 298.3430 -12.0229 16.0000 763144.9591 -3.1304 -3.1114 PRESSURE: 1148000 100.758 272.651 -46.2647 272.652 -196.671 -16.2938 -46.2642 -16.2936 -110.273 GPRESSURE: 1148000 134.622 253.935 54.1581 79.5562 -203.101 -25.2291 -124.941 26.4787 -51.6953 PRESSAVG: 1148000 -39.3112 39.5174 30.3788 39.5174 4.85504 -42.3133 30.3788 -42.3133 8.59656 GPRESSAVG: 1148000 -39.6583 40.4596 29.8278 38.6213 3.72835 -43.8873 31.6194 -42.8245 9.80296 TIMING: 1148000 CPU: 3581.9, 0.00312768/step Wall: 3581.9, 0.00312768/step, 3.34662 hours remaining, 233.980469 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: 1148000 3925.6564 20405.8017 14430.9566 251.9893 -203108.7008 2718.8702 0.0000 0.0000 52113.2213 -109262.2053 299.4954 -161375.4266 -108890.6376 298.3241 -68.7286 -40.0581 764574.1169 -8.6199 -8.7090 PRESSURE: 1148200 -106.238 91.7309 26.2615 91.731 26.3973 -100.439 26.2618 -100.439 -3.71034 GPRESSURE: 1148200 -14.2214 6.21144 -57.8943 83.4324 103.445 -91.9117 -31.1142 -226.841 -104.094 PRESSAVG: 1148200 -2.32192 24.0861 -38.9994 24.086 0.706891 4.52347 -38.9994 4.52344 16.5343 GPRESSAVG: 1148200 -1.3693 25.5177 -38.7799 22.908 1.75657 4.9837 -39.2498 5.85162 14.8807 TIMING: 1148200 CPU: 3582.53, 0.00315665/step Wall: 3582.53, 0.00315665/step, 3.37744 hours remaining, 233.980469 MB of memory in use. ENERGY: 1148200 3963.0439 20528.0113 14441.3718 248.8413 -203147.1347 2833.3814 0.0000 0.0000 51940.7810 -109191.7041 298.5044 -161132.4851 -108825.7225 298.4995 -27.8503 -4.9567 764819.6778 4.9731 5.0893 LDB: ============= START OF LOAD BALANCING ============== 3595.01 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3595.01 LDB: =============== DONE WITH MIGRATION ================ 3595.01 LDB: ============= START OF LOAD BALANCING ============== 3595.33 LDB: Largest compute 6972 load 0.032320 is 16.6% of average load 0.195150 LDB: Average compute 0.004394 is 2.3% of average load 0.195150 LDB: TIME 3595.33 LOAD: AVG 0.19515 MAX 0.220157 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.914 MB LDB: TIME 3595.33 LOAD: AVG 0.19515 MAX 0.220157 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.914 MB LDB: TIME 3595.33 LOAD: AVG 0.19515 MAX 0.213847 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.914 MB LDB: ============== END OF LOAD BALANCING =============== 3595.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3595.34 PRESSURE: 1148400 95.0003 203.693 61.3366 203.692 334.617 11.037 61.3365 11.0378 536.234 GPRESSURE: 1148400 117.414 100.63 142.892 195.126 385.317 66.8018 136.191 17.437 534.975 PRESSAVG: 1148400 58.139 46.0199 25.2587 46.0199 -22.463 -24.7108 25.2587 -24.7108 -9.32842 GPRESSAVG: 1148400 58.1848 44.0924 24.7344 49.6077 -22.229 -23.9972 26.9272 -25.7552 -9.48974 TIMING: 1148400 CPU: 3583.17, 0.00321178/step Wall: 3583.17, 0.00321178/step, 3.43625 hours remaining, 234.175781 MB of memory in use. ENERGY: 1148400 3960.7704 20600.2739 14446.4486 264.6419 -203746.4383 3239.0903 0.0000 0.0000 51976.4958 -109258.7174 298.7096 -161235.2131 -108898.3526 298.7765 321.9504 345.9021 761985.8048 8.7825 8.8220 PRESSURE: 1148600 33.965 95.306 27.7153 95.3068 95.6218 54.9814 27.7156 54.9814 108.334 GPRESSURE: 1148600 78.5753 27.6126 31.554 97.7412 131.408 8.51404 -49.0617 19.5238 109.618 PRESSAVG: 1148600 8.0642 41.3278 19.8773 41.3277 28.9654 -26.0992 19.8773 -26.0992 28.6692 GPRESSAVG: 1148600 8.78645 43.2113 20.2672 37.0578 28.0761 -26.5097 19.5709 -26.1562 28.7997 TIMING: 1148600 CPU: 3583.8, 0.00313034/step Wall: 3583.8, 0.00313034/step, 3.34895 hours remaining, 234.175781 MB of memory in use. ENERGY: 1148600 3954.5707 20592.6248 14473.5271 253.0852 -203900.4385 3126.1047 0.0000 0.0000 52078.0392 -109422.4869 299.2932 -161500.5261 -109054.1700 299.2986 79.3070 106.5336 762390.3333 21.8996 21.8874 PRESSURE: 1148800 34.4187 -366.19 118.357 -366.19 457.459 216.836 118.357 216.835 31.3975 GPRESSURE: 1148800 121.193 -283.165 116.01 -289.864 318.351 165.591 41.8654 231.077 181.234 PRESSAVG: 1148800 -3.67842 45.7462 -19.3012 45.7463 -7.37644 -50.6119 -19.3012 -50.6119 1.88219 GPRESSAVG: 1148800 -3.53891 45.7006 -19.7991 49.4189 -8.07277 -52.1254 -21.2988 -47.3865 2.37745 TIMING: 1148800 CPU: 3584.42, 0.00313455/step Wall: 3584.42, 0.00313455/step, 3.35327 hours remaining, 234.175781 MB of memory in use. ENERGY: 1148800 3926.4987 20608.0712 14398.8014 247.1554 -204262.2140 3448.9540 0.0000 0.0000 52165.8165 -109466.9168 299.7977 -161632.7333 -109101.0141 299.1389 174.4250 206.9263 763473.0482 -3.0576 -3.0781 PRESSURE: 1149000 -148.496 -5.57563 -224.046 -5.57579 151.64 97.9076 -224.046 97.9063 -116.587 GPRESSURE: 1149000 -218.976 5.54718 -147.078 -3.52194 204.358 116.837 -194.593 75.8971 -22.3224 PRESSAVG: 1149000 5.0281 33.4275 14.4928 33.4275 -46.9067 6.23221 14.4928 6.2322 -17.3678 GPRESSAVG: 1149000 5.24653 32.2764 16.8846 31.0565 -47.2712 7.28151 16.014 2.47355 -17.2602 TIMING: 1149000 CPU: 3585.05, 0.00313242/step Wall: 3585.05, 0.00313242/step, 3.35082 hours remaining, 234.175781 MB of memory in use. ENERGY: 1149000 4026.8936 20610.6205 14373.2733 252.2026 -203827.8662 2996.2451 0.0000 0.0000 52243.1221 -109325.5090 300.2419 -161568.6312 -108949.0186 299.6468 -37.8145 -12.3136 763693.3256 -19.7488 -19.7616 PRESSURE: 1149200 -25.6869 38.4939 99.9389 38.4948 -95.4209 -22.778 99.9391 -22.7783 222.077 GPRESSURE: 1149200 32.816 85.8857 29.9229 91.2012 -88.1968 -47.6098 249.502 -62.7435 247.327 PRESSAVG: 1149200 -18.717 30.9494 -16.5757 30.9494 26.4115 -1.84186 -16.5757 -1.84184 -1.23984 GPRESSAVG: 1149200 -19.2201 30.296 -18.675 33.4965 27.4313 -2.71547 -15.4359 -1.7533 -1.55961 TIMING: 1149200 CPU: 3585.68, 0.0031215/step Wall: 3585.68, 0.0031215/step, 3.33896 hours remaining, 234.175781 MB of memory in use. ENERGY: 1149200 3950.2282 20716.9481 14401.2856 247.5763 -203556.2377 2964.2236 0.0000 0.0000 51951.0662 -109324.9097 298.5635 -161275.9758 -108961.5379 299.2182 33.6564 63.9821 763915.4367 2.1516 2.2172 PRESSURE: 1149400 65.1131 393.61 -49.2712 393.609 142.02 -144.281 -49.2707 -144.282 282.919 GPRESSURE: 1149400 116.726 360.559 -36.7675 301.978 131.719 -155.15 -29.9992 -203.128 310.931 PRESSAVG: 1149400 -60.5794 13.282 -5.00696 13.282 18.5593 46.9935 -5.00691 46.9935 14.6208 GPRESSAVG: 1149400 -60.8361 14.857 -3.92699 10.6965 20.6059 48.8351 -5.75754 46.1723 13.1052 TIMING: 1149400 CPU: 3586.3, 0.00313099/step Wall: 3586.3, 0.00313099/step, 3.34894 hours remaining, 234.175781 MB of memory in use. ENERGY: 1149400 3979.3045 20584.2964 14464.2722 263.7613 -203869.7481 3237.3566 0.0000 0.0000 51991.4190 -109349.3382 298.7954 -161340.7571 -108984.3664 298.7989 163.3505 186.4586 761442.5714 -9.1331 -9.0417 PRESSURE: 1149600 182.944 163.419 83.1128 163.419 -303.861 -13.3639 83.1131 -13.3649 -492.012 GPRESSURE: 1149600 194.273 104.358 41.9582 175.446 -273.6 32.2278 -26.3095 -7.09113 -447.801 PRESSAVG: 1149600 38.7562 16.0481 7.03685 16.0482 5.0189 -63.5082 7.03685 -63.5082 -1.58953 GPRESSAVG: 1149600 38.9713 16.7894 6.08857 15.3181 3.23614 -64.735 6.40659 -61.2165 -0.0371825 TIMING: 1149600 CPU: 3586.93, 0.00312966/step Wall: 3586.93, 0.00312966/step, 3.34734 hours remaining, 234.175781 MB of memory in use. ENERGY: 1149600 3978.5627 20534.8956 14442.3634 247.8947 -203349.8565 2715.4109 0.0000 0.0000 52049.8438 -109380.8853 299.1312 -161430.7292 -109015.3991 299.4520 -204.3098 -175.7093 762451.9964 14.0618 14.0568 PRESSURE: 1149800 251.085 199.537 -113.807 199.536 -118.144 36.3434 -113.807 36.3432 28.1863 GPRESSURE: 1149800 322.331 92.1398 -108.254 43.0912 -57.4553 -12.576 -124.671 -41.0986 7.5071 PRESSAVG: 1149800 87.2459 -12.0655 21.5773 -12.0655 -73.9935 -33.6763 21.5773 -33.6763 17.601 GPRESSAVG: 1149800 86.8425 -13.6125 21.4237 -10.4914 -72.7752 -34.5795 22.3945 -32.553 17.1086 TIMING: 1149800 CPU: 3587.55, 0.00311955/step Wall: 3587.55, 0.00311955/step, 3.33636 hours remaining, 234.175781 MB of memory in use. ENERGY: 1149800 3894.8755 20606.5892 14451.3509 235.2680 -203644.6153 2937.2539 0.0000 0.0000 52066.1197 -109453.1580 299.2247 -161519.2777 -109083.9893 298.8452 53.7092 90.7942 761701.0265 10.2845 10.3920 PRESSURE: 1150000 42.9423 -11.3306 289.663 -11.3303 -182.491 -103.958 289.662 -103.958 502.786 GPRESSURE: 1150000 188.418 -51.8905 217.159 -48.0595 -162.742 -196.823 196.493 -34.6816 428.092 PRESSAVG: 1150000 30.8935 16.6861 45.7319 16.686 -66.4237 -35.1995 45.7319 -35.1994 16.7906 GPRESSAVG: 1150000 30.6394 18.2416 45.0893 14.3283 -67.2623 -34.6655 45.9044 -38.4473 17.7097 TIMING: 1150000 CPU: 3588.18, 0.00313589/step Wall: 3588.18, 0.00313589/step, 3.35366 hours remaining, 234.175781 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 3996.4459 20493.7778 14395.8914 233.1303 -203663.8660 2957.9971 0.0000 0.0000 51933.8284 -109652.7952 298.4644 -161586.6236 -109274.1462 298.9540 121.0791 151.2563 762526.3226 -6.2465 -6.3044 PRESSURE: 1150200 -191.13 -3.77772 -163.126 -3.77735 -281.112 -134.55 -163.126 -134.551 -41.0803 GPRESSURE: 1150200 -165.089 7.64821 -163.658 67.0044 -308.457 -130.912 -17.1639 54.2964 33.7995 PRESSAVG: 1150200 -40.1326 -5.84962 26.7043 -5.84958 15.0552 7.82838 26.7042 7.82825 11.3598 GPRESSAVG: 1150200 -39.1609 -7.79942 26.6899 -5.01473 15.9413 7.94851 26.9762 11.1358 9.85718 TIMING: 1150200 CPU: 3588.8, 0.00312455/step Wall: 3588.8, 0.00312455/step, 3.34136 hours remaining, 234.175781 MB of memory in use. ENERGY: 1150200 4004.4210 20507.2724 14440.0653 259.5688 -203311.0768 2521.6074 0.0000 0.0000 51838.7717 -109739.3703 297.9181 -161578.1420 -109385.1472 297.8543 -171.1073 -146.5824 762618.4761 -4.5725 -4.4541 PRESSURE: 1150400 189.937 201.801 -61.8357 201.801 -2.38836 97.2396 -61.8355 97.239 82.5074 GPRESSURE: 1150400 183.288 109.306 -91.2188 196.736 26.031 42.006 -116.206 48.6657 131.189 PRESSAVG: 1150400 21.4254 44.8144 -2.11141 44.8144 -18.791 30.2052 -2.11134 30.2051 31.5478 GPRESSAVG: 1150400 21.9097 46.9926 -1.48159 46.5851 -18.3641 30.5431 -5.10519 28.8686 30.802 TIMING: 1150400 CPU: 3589.43, 0.00313143/step Wall: 3589.43, 0.00313143/step, 3.34854 hours remaining, 234.175781 MB of memory in use. ENERGY: 1150400 3937.7230 20434.5311 14378.1552 253.7874 -203307.7412 2970.8260 0.0000 0.0000 51579.7434 -109752.9750 296.4295 -161332.7185 -109404.6968 297.6218 90.0186 113.5026 761595.8456 11.3941 11.4492 PRESSURE: 1150600 -106.96 -8.23226 -109.712 -8.23244 -233.804 64.003 -109.712 64.0024 -268.649 GPRESSURE: 1150600 -96.3353 -12.7824 -146.068 -27.0894 -118.869 87.2117 -169.625 192.771 -316.913 PRESSAVG: 1150600 17.5897 32.4109 17.4895 32.4108 19.0265 -18.3602 17.4895 -18.3603 11.9683 GPRESSAVG: 1150600 15.8807 32.4234 18.1086 32.8131 19.9783 -18.4298 20.0262 -18.151 12.4626 TIMING: 1150600 CPU: 3590.05, 0.00312331/step Wall: 3590.05, 0.00312331/step, 3.33969 hours remaining, 234.175781 MB of memory in use. ENERGY: 1150600 3931.0333 20442.3444 14318.7460 257.3547 -203198.9864 2710.1788 0.0000 0.0000 51816.3035 -109723.0255 297.7890 -161539.3290 -109363.8410 298.0387 -203.1376 -177.3725 762688.5552 16.1948 16.1072 PRESSURE: 1150800 -115.113 124.238 -23.203 124.24 152.476 -183.804 -23.2022 -183.803 211.305 GPRESSURE: 1150800 -112.191 232.704 -107.51 -54.297 132.036 -134.467 -17.8284 -220.796 298.547 PRESSAVG: 1150800 32.2854 17.498 17.5839 17.498 5.76022 -13.0361 17.5839 -13.036 -29.7335 GPRESSAVG: 1150800 32.3484 16.3074 18.4225 16.127 4.84115 -14.0783 15.1384 -14.5034 -28.548 TIMING: 1150800 CPU: 3590.68, 0.00313096/step Wall: 3590.68, 0.00313095/step, 3.34769 hours remaining, 234.175781 MB of memory in use. ENERGY: 1150800 4047.2645 20578.6237 14362.6177 254.9996 -203523.8718 2779.9605 0.0000 0.0000 51894.7829 -109605.6230 298.2400 -161500.4059 -109248.6257 297.9531 82.8894 106.1307 761195.5911 2.7707 2.8805 PRESSURE: 1151000 -111.13 -78.9458 219.341 -78.946 218.194 -231.798 219.341 -231.796 -0.472515 GPRESSURE: 1151000 -18.3649 -4.92576 219.693 -120.674 149.032 -202.849 213.726 -183.608 50.1869 PRESSAVG: 1151000 -42.4962 33.26 -6.87559 33.2601 52.3443 -29.1799 -6.87559 -29.1799 8.84842 GPRESSAVG: 1151000 -41.485 32.3557 -7.95137 32.1045 51.1122 -30.1558 -6.6878 -28.0524 9.37817 TIMING: 1151000 CPU: 3591.31, 0.00312799/step Wall: 3591.31, 0.003128/step, 3.34435 hours remaining, 234.175781 MB of memory in use. ENERGY: 1151000 3981.8906 20431.2554 14455.1430 249.5403 -203383.3352 2949.0429 0.0000 0.0000 51931.9961 -109384.4668 298.4539 -161316.4630 -109039.4219 298.2720 35.5306 60.2848 762135.1436 6.2322 6.3351 PRESSURE: 1151200 195.078 -190.814 -44.2818 -190.814 49.8925 -288.432 -44.2815 -288.432 503.708 GPRESSURE: 1151200 157.604 -165.927 -78.0868 -175.215 131.12 -306.937 66.9012 -356.32 524.678 PRESSAVG: 1151200 16.0728 24.4897 -29.0018 24.4898 30.9037 -5.41092 -29.0018 -5.41092 6.48048 GPRESSAVG: 1151200 15.2297 25.9272 -28.0178 25.828 31.8916 -3.26168 -28.8451 -5.12879 5.92691 TIMING: 1151200 CPU: 3591.93, 0.00313884/step Wall: 3591.93, 0.00313884/step, 3.35577 hours remaining, 234.175781 MB of memory in use. ENERGY: 1151200 3994.4090 20375.2598 14388.6782 253.5051 -203313.3492 2921.1016 0.0000 0.0000 51960.7542 -109419.6413 298.6192 -161380.3955 -109063.0739 298.2720 249.5594 271.1337 761601.7516 17.8190 17.6827 PRESSURE: 1151400 -330.15 182.91 -119.836 182.91 -483.784 -152.781 -119.836 -152.78 149.714 GPRESSURE: 1151400 -285.643 189.595 -157.414 86.7697 -491.197 -131.686 -185.136 -153.578 207.791 PRESSAVG: 1151400 11.5289 9.80974 -13.5308 9.80967 -16.4863 -12.9402 -13.5307 -12.9401 10.1048 GPRESSAVG: 1151400 11.2996 9.26538 -15.5108 11.7493 -16.4473 -13.5238 -14.2939 -14.6739 10.991 TIMING: 1151400 CPU: 3592.56, 0.00314125/step Wall: 3592.56, 0.00314125/step, 3.35818 hours remaining, 234.175781 MB of memory in use. ENERGY: 1151400 3986.2926 20549.2085 14452.5720 242.5346 -203295.4639 2569.5767 0.0000 0.0000 52011.3296 -109483.9499 298.9098 -161495.2795 -109134.2092 298.3805 -221.4068 -189.6832 760928.9502 1.7158 1.9478 PRESSURE: 1151600 -393.234 -56.2655 -194.493 -56.2658 -282.984 -220.361 -194.494 -220.36 -47.7835 GPRESSURE: 1151600 -279.587 -142.778 -184.006 -72.8426 -342.563 -171.588 -193.201 -271.22 -18.949 PRESSAVG: 1151600 -4.07214 3.89783 0.779454 3.89777 -11.3384 24.0252 0.779469 24.0252 31.9226 GPRESSAVG: 1151600 -3.49398 3.38422 2.11793 3.19132 -11.1638 24.9899 2.3811 24.2739 31.3189 TIMING: 1151600 CPU: 3593.19, 0.00313116/step Wall: 3593.19, 0.00313116/step, 3.34721 hours remaining, 234.175781 MB of memory in use. ENERGY: 1151600 3999.9663 20356.5876 14407.3370 249.3492 -203253.4263 2602.9913 0.0000 0.0000 51788.9704 -109848.2245 297.6319 -161637.1949 -109479.3895 298.0680 -241.3340 -213.6998 762746.1862 5.5040 5.5537 PRESSURE: 1151800 -339.017 -133.468 -19.6042 -133.468 -47.3103 295.36 -19.6046 295.361 -143.05 GPRESSURE: 1151800 -363.893 -194.766 -26.7102 -119.547 28.9359 282.554 11.2321 268.618 -100.389 PRESSAVG: 1151800 36.9502 -0.746066 -19.9866 -0.745989 -54.1745 3.99954 -19.9866 3.99957 -33.3036 GPRESSAVG: 1151800 37.3414 -1.03189 -20.0477 -2.50294 -53.0569 2.52867 -20.455 6.05098 -34.9909 TIMING: 1151800 CPU: 3593.81, 0.00312331/step Wall: 3593.81, 0.00312331/step, 3.33865 hours remaining, 234.175781 MB of memory in use. ENERGY: 1151800 3965.5658 20346.0542 14423.4154 243.4805 -203188.4821 2613.7456 0.0000 0.0000 51833.3274 -109762.8932 297.8868 -161596.2206 -109403.6565 297.5613 -176.4593 -145.1152 762628.9648 -16.8426 -16.9022 PRESSURE: 1152000 59.1283 82.9753 174.279 82.9742 -340.857 -18.734 174.28 -18.7342 16.4095 GPRESSURE: 1152000 58.2441 -2.67946 172.314 135.04 -255.359 -125.047 127.148 -8.19896 25.6629 PRESSAVG: 1152000 -9.76977 -9.6204 26.4452 -9.62038 -7.02102 18.301 26.4453 18.3009 7.98735 GPRESSAVG: 1152000 -9.56219 -9.78125 26.1738 -7.56404 -8.61587 18.6868 25.6887 15.656 9.6601 TIMING: 1152000 CPU: 3594.44, 0.00313664/step Wall: 3594.44, 0.00313664/step, 3.35272 hours remaining, 234.175781 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: 1152000 4007.1247 20557.6095 14416.4581 246.7725 -203674.8209 3069.5888 0.0000 0.0000 51511.3085 -109865.9588 296.0362 -161377.2673 -109516.3420 297.7702 -88.4398 -57.1508 762374.4577 -2.9345 -2.8393 PRESSURE: 1152200 270.658 -84.8612 135.468 -84.8623 171.849 -191.873 135.468 -191.872 -83.1656 GPRESSURE: 1152200 320.712 -100.538 132.756 -34.956 269.814 -236.856 243.514 -183.913 -141.749 PRESSAVG: 1152200 34.553 -13.795 40.6422 -13.795 -19.5549 -66.4618 40.6421 -66.4618 11.4379 GPRESSAVG: 1152200 34.7693 -12.5192 39.2912 -15.4136 -18.0386 -67.4637 45.5089 -64.5397 9.86211 TIMING: 1152200 CPU: 3595.07, 0.00314092/step Wall: 3595.07, 0.00314092/step, 3.35712 hours remaining, 234.175781 MB of memory in use. ENERGY: 1152200 3944.4691 20411.6283 14405.6723 243.0895 -203585.4932 2948.7911 0.0000 0.0000 51863.2915 -109768.5516 298.0590 -161631.8430 -109412.0319 297.8717 119.7805 149.5926 761016.9876 8.8120 8.8643 LDB: ============= START OF LOAD BALANCING ============== 3607.55 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3607.55 LDB: =============== DONE WITH MIGRATION ================ 3607.55 LDB: ============= START OF LOAD BALANCING ============== 3607.86 LDB: Largest compute 6985 load 0.029982 is 15.4% of average load 0.195051 LDB: Average compute 0.004375 is 2.2% of average load 0.195051 LDB: TIME 3607.87 LOAD: AVG 0.195051 MAX 0.213883 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.492 MB LDB: TIME 3607.87 LOAD: AVG 0.195051 MAX 0.213883 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.695 MB LDB: TIME 3607.87 LOAD: AVG 0.195051 MAX 0.213883 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.695 MB LDB: ============== END OF LOAD BALANCING =============== 3607.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3607.87 PRESSURE: 1152400 -68.001 -20.2306 -274.383 -20.2306 -165.85 -197.036 -274.383 -197.036 -214.981 GPRESSURE: 1152400 46.4518 -115.36 -288.813 13.4381 -186.034 -204.513 -247.829 -249.601 -214.557 PRESSAVG: 1152400 -18.4036 7.06095 31.5893 7.06094 13.7899 -7.25551 31.5893 -7.2554 -1.67952 GPRESSAVG: 1152400 -18.874 6.85923 32.5836 9.15831 12.2555 -7.6197 28.4361 -7.46184 0.174882 TIMING: 1152400 CPU: 3595.71, 0.00320302/step Wall: 3595.71, 0.00320302/step, 3.42332 hours remaining, 233.675781 MB of memory in use. ENERGY: 1152400 3983.0951 20392.4313 14367.5033 251.0079 -203398.0640 2890.9925 0.0000 0.0000 51854.1627 -109658.8713 298.0066 -161513.0340 -109299.2657 298.2108 -149.6107 -118.0463 762735.6515 -2.0978 -2.1479 PRESSURE: 1152600 -217.7 43.693 206 43.6919 33.7855 124.484 206 124.484 -422.477 GPRESSURE: 1152600 -175.664 -41.7813 165.058 37.2783 -46.4641 46.7593 269.372 45.9698 -311.266 PRESSAVG: 1152600 -24.3253 -20.619 37.9656 -20.619 -6.11505 -23.1653 37.9655 -23.1654 -14.1389 GPRESSAVG: 1152600 -23.8955 -21.7163 36.6492 -20.818 -5.56574 -22.1425 38.4561 -23.9856 -14.6206 TIMING: 1152600 CPU: 3596.34, 0.00313401/step Wall: 3596.34, 0.00313401/step, 3.34939 hours remaining, 233.675781 MB of memory in use. ENERGY: 1152600 3982.9104 20413.8731 14432.8068 251.6704 -203458.4277 2751.3721 0.0000 0.0000 51858.4379 -109767.3570 298.0312 -161625.7949 -109408.9132 298.3732 -202.1305 -177.7979 761999.6567 -14.8597 -14.6940 PRESSURE: 1152800 -211.492 54.1208 -100.496 54.1202 -320.994 -69.959 -100.495 -69.9599 -491.818 GPRESSURE: 1152800 -132.631 9.46681 -92.2573 55.9006 -383.654 -43.4417 -81.9627 30.8422 -428.48 PRESSAVG: 1152800 15.542 -27.3708 -25.7744 -27.3708 -12.7261 -7.16099 -25.7744 -7.16106 15.0917 GPRESSAVG: 1152800 15.3947 -26.2834 -24.8031 -28.6282 -11.4661 -5.58843 -25.7596 -7.13639 14.0864 TIMING: 1152800 CPU: 3596.96, 0.00313212/step Wall: 3596.96, 0.00313212/step, 3.34719 hours remaining, 233.675781 MB of memory in use. ENERGY: 1152800 4047.0293 20485.3934 14446.2815 262.5112 -203603.6340 2708.4919 0.0000 0.0000 51886.5508 -109767.3759 298.1927 -161653.9267 -109412.1022 297.8515 -341.4351 -314.9216 763289.3917 5.9692 6.0050 PRESSURE: 1153000 204.258 -73.284 154.571 -73.2837 -71.519 36.4465 154.571 36.4465 10.75 GPRESSURE: 1153000 230.944 51.7949 104.685 -8.20943 -3.38086 -47.952 112.789 56.5077 5.5761 PRESSAVG: 1153000 38.6414 -30.3728 -49.1867 -30.3728 -33.5759 -32.6058 -49.1867 -32.6058 -10.5802 GPRESSAVG: 1153000 38.2359 -30.7212 -47.7261 -30.2179 -34.2482 -34.8051 -51.5561 -32.8648 -9.13597 TIMING: 1153000 CPU: 3597.59, 0.00311824/step Wall: 3597.59, 0.00311824/step, 3.33218 hours remaining, 233.675781 MB of memory in use. ENERGY: 1153000 3975.2883 20456.2583 14387.5472 246.9836 -203588.5286 2755.1008 0.0000 0.0000 51962.2951 -109805.0553 298.6280 -161767.3504 -109452.6800 297.9048 47.8298 77.7130 761311.1518 -1.8382 -1.7161 PRESSURE: 1153200 13.1353 -71.121 154.156 -71.1211 -19.6488 -114.954 154.156 -114.954 -266.349 GPRESSURE: 1153200 73.5758 -142.399 128.428 -13.339 -6.60974 -183.016 53.4455 -235.443 -257.386 PRESSAVG: 1153200 -40.0488 45.7175 -1.14517 45.7175 7.5958 -14.7841 -1.14521 -14.7841 25.2216 GPRESSAVG: 1153200 -38.6247 46.9136 -2.26754 43.7102 7.72612 -14.6298 0.717812 -15.5466 24.602 TIMING: 1153200 CPU: 3598.21, 0.0031082/step Wall: 3598.21, 0.0031082/step, 3.32129 hours remaining, 233.675781 MB of memory in use. ENERGY: 1153200 4011.0442 20441.0158 14394.0804 238.9985 -203245.4458 2539.8937 0.0000 0.0000 51749.0576 -109871.3557 297.4025 -161620.4133 -109511.1006 297.8907 -90.9541 -63.4734 761822.8525 -2.4105 -2.0989 PRESSURE: 1153400 -125.026 71.4121 74.8909 71.4118 160.599 159.107 74.8905 159.107 343.971 GPRESSURE: 1153400 -75.1475 75.6972 71.9577 66.9475 95.4653 133.37 -47.4933 86.3999 430.928 PRESSAVG: 1153400 55.9977 -9.68879 40.793 -9.6888 -55.2612 -32.9273 40.793 -32.9272 -2.45548 GPRESSAVG: 1153400 55.6825 -11.437 39.6797 -6.90171 -54.8149 -32.2967 42.8956 -31.8751 -1.87077 TIMING: 1153400 CPU: 3598.83, 0.00312657/step Wall: 3598.83, 0.00312657/step, 3.34074 hours remaining, 233.675781 MB of memory in use. ENERGY: 1153400 3897.4375 20543.9624 14473.6869 232.9284 -203829.3891 2980.5254 0.0000 0.0000 51973.0222 -109727.8264 298.6897 -161700.8486 -109365.2218 298.0261 126.5150 150.4153 761788.1378 -0.5730 -0.3344 PRESSURE: 1153600 -189.408 -10.2795 -29.2084 -10.2795 -284.217 358.647 -29.2082 358.647 -419.587 GPRESSURE: 1153600 -174.434 -107.258 -104.022 -56.0778 -236.343 427.973 5.96952 303.631 -416.357 PRESSAVG: 1153600 8.95761 24.0704 7.8851 24.0704 -16.5397 1.49053 7.88514 1.49047 1.89542 GPRESSAVG: 1153600 8.0596 25.9339 10.3656 23.514 -15.685 0.900358 4.5272 1.29357 2.03705 TIMING: 1153600 CPU: 3599.46, 0.00311329/step Wall: 3599.46, 0.00311329/step, 3.32638 hours remaining, 233.675781 MB of memory in use. ENERGY: 1153600 4018.0625 20495.5232 14510.8080 230.2713 -203378.9526 2787.6344 0.0000 0.0000 51714.6893 -109621.9639 297.2050 -161336.6532 -109269.7298 297.8375 -297.7375 -275.7115 761589.0269 -1.8956 -1.8628 PRESSURE: 1153800 -60.0172 2.70295 51.3377 2.70276 -432.775 -207.71 51.3372 -207.709 -281.511 GPRESSURE: 1153800 -72.3465 -51.8247 93.8123 -19.0927 -308.535 -194.166 139.541 -250.742 -323.901 PRESSAVG: 1153800 8.81117 -20.7957 21.7162 -20.7957 -33.6592 -42.5163 21.7161 -42.5163 19.8238 GPRESSAVG: 1153800 9.33141 -20.9147 20.2768 -20.787 -34.168 -41.3829 23.3498 -43.4176 19.541 TIMING: 1153800 CPU: 3600.08, 0.00311677/step Wall: 3600.08, 0.00311677/step, 3.32992 hours remaining, 233.675781 MB of memory in use. ENERGY: 1153800 3968.5416 20742.2160 14482.1631 240.1643 -203420.0269 2589.1241 0.0000 0.0000 52031.4026 -109366.4153 299.0252 -161397.8178 -109006.8534 298.5518 -258.1010 -234.9275 763877.7436 -1.6748 -1.7652 PRESSURE: 1154000 -484.912 -221.185 -77.3432 -221.184 -158.872 -157.937 -77.3437 -157.936 -225.858 GPRESSURE: 1154000 -461.493 -157.321 -55.6364 -243.438 -133.355 -197.35 -47.8756 -63.7534 -188.132 PRESSAVG: 1154000 -8.5111 -24.486 -20.8026 -24.4859 -3.58246 -9.83736 -20.8026 -9.83741 -4.63045 GPRESSAVG: 1154000 -7.71831 -24.7196 -19.736 -24.9336 -4.31279 -10.5328 -21.6461 -8.61292 -4.58621 TIMING: 1154000 CPU: 3600.71, 0.0031338/step Wall: 3600.71, 0.0031338/step, 3.34795 hours remaining, 233.675781 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: 1154000 4020.4658 20403.9111 14413.8394 253.7350 -203032.3486 2442.1884 0.0000 0.0000 51999.0072 -109499.2017 298.8390 -161498.2089 -109144.0662 299.2831 -289.8810 -260.9934 764668.0035 -5.5747 -5.5391 PRESSURE: 1154200 413.838 21.3448 283.853 21.3449 -312.987 -233.633 283.853 -233.633 54.5097 GPRESSURE: 1154200 454.171 -17.3107 314.034 59.9981 -201.75 -145.811 235.831 -144.658 -35.8866 PRESSAVG: 1154200 -33.4299 18.9229 56.1587 18.9229 88.4405 -5.60803 56.1588 -5.60805 0.475526 GPRESSAVG: 1154200 -33.8258 19.0056 54.3425 19.3944 89.3147 -5.08157 57.3874 -6.53153 -0.762228 TIMING: 1154200 CPU: 3601.33, 0.00312208/step Wall: 3601.33, 0.00312208/step, 3.33525 hours remaining, 233.675781 MB of memory in use. ENERGY: 1154200 3976.9502 20685.6245 14440.7787 249.3654 -203460.3632 2869.2090 0.0000 0.0000 51751.1103 -109487.3252 297.4143 -161238.4355 -109129.0871 298.4618 51.7869 72.1782 762831.7981 18.4954 18.2422 PRESSURE: 1154400 -238.007 -7.06937 162.19 -7.06988 141.426 94.4672 162.19 94.4678 -204.597 GPRESSURE: 1154400 -218.899 26.774 249.209 121.375 139.714 154.612 136.231 141.311 -147.289 PRESSAVG: 1154400 -34.8172 75.7119 30.2046 75.7119 1.94324 3.02843 30.2045 3.02841 -7.51238 GPRESSAVG: 1154400 -33.2569 74.7019 31.6213 76.9227 0.872275 3.06758 28.8037 4.34216 -7.28936 TIMING: 1154400 CPU: 3601.96, 0.00313461/step Wall: 3601.96, 0.00313461/step, 3.34846 hours remaining, 233.675781 MB of memory in use. ENERGY: 1154400 3990.9990 20584.4776 14474.3099 250.8230 -203562.4248 2915.3824 0.0000 0.0000 51984.9752 -109361.4578 298.7584 -161346.4330 -108992.0690 298.6722 -100.3926 -75.4914 762840.9157 -13.4621 -13.2247 PRESSURE: 1154600 74.2893 70.804 48.5306 70.8048 -154.144 96.4093 48.5307 96.4096 114.1 GPRESSURE: 1154600 45.7263 39.3449 11.674 -84.2064 -125.67 63.83 39.3375 22.1602 211.762 PRESSAVG: 1154600 57.7642 22.4803 36.3549 22.4803 -39.9364 -20.0582 36.3549 -20.0582 -16.1143 GPRESSAVG: 1154600 55.5943 25.3825 36.3169 18.2591 -38.8439 -18.9195 35.3928 -21.2048 -14.7236 TIMING: 1154600 CPU: 3602.59, 0.00314956/step Wall: 3602.59, 0.00314956/step, 3.36425 hours remaining, 233.675781 MB of memory in use. ENERGY: 1154600 4025.1981 20560.1771 14379.0219 261.6443 -203318.1410 2752.0287 0.0000 0.0000 51846.2123 -109493.8585 297.9609 -161340.0708 -109141.2540 298.5290 11.4149 43.9396 762584.2553 0.5712 0.6756 PRESSURE: 1154800 164.774 24.8448 1.84121 24.8443 55.2418 87.1311 1.84059 87.132 -418.82 GPRESSURE: 1154800 134.09 30.7377 -7.6319 -41.4277 122.969 107.091 39.2802 79.3001 -377.852 PRESSAVG: 1154800 14.4352 -47.7293 -3.20473 -47.7293 -42.4073 49.381 -3.20472 49.3809 17.1027 GPRESSAVG: 1154800 14.182 -49.3976 -3.22631 -45.1413 -41.2896 47.0901 -1.48893 50.4912 16.5405 TIMING: 1154800 CPU: 3603.22, 0.00315167/step Wall: 3603.22, 0.00315167/step, 3.36633 hours remaining, 233.675781 MB of memory in use. ENERGY: 1154800 4012.3246 20455.2173 14390.4716 234.1502 -203310.5282 2699.9487 0.0000 0.0000 52042.5765 -109475.8393 299.0894 -161518.4159 -109121.3036 298.2459 -66.2681 -40.2641 761759.8992 -3.6231 -3.5224 PRESSURE: 1155000 82.7535 -82.5826 68.0716 -82.5827 -233.254 -231.393 68.0716 -231.393 157.65 GPRESSURE: 1155000 91.5463 -177.166 75.9027 -46.5976 -174.463 -296.804 153.62 -202.049 182.731 PRESSAVG: 1155000 46.1973 46.0416 -3.95573 46.0416 -22.4689 -15.6679 -3.95575 -15.6679 -18.8229 GPRESSAVG: 1155000 46.2502 46.095 -4.52516 44.9391 -22.9335 -14.7409 -3.70584 -17.0736 -18.5798 TIMING: 1155000 CPU: 3603.85, 0.00314336/step Wall: 3603.85, 0.00314336/step, 3.35728 hours remaining, 233.675781 MB of memory in use. ENERGY: 1155000 4039.7029 20337.3966 14471.2358 224.7538 -203425.9076 3039.1838 0.0000 0.0000 51807.1741 -109506.4605 297.7365 -161313.6346 -109150.0644 298.6046 2.3830 33.2716 763551.6185 1.6351 1.5790 PRESSURE: 1155200 7.52431 -332.451 6.3464 -332.45 -151.92 22.2995 6.3465 22.2995 -56.6164 GPRESSURE: 1155200 54.6324 -296.47 -11.9869 -355.253 -59.3375 24.8205 109.967 0.703609 -112.253 PRESSAVG: 1155200 20.1467 -21.808 27.0076 -21.808 -28.188 24.7505 27.0076 24.7505 13.7373 GPRESSAVG: 1155200 21.9807 -21.2898 25.948 -20.4919 -29.5004 24.7293 27.5467 27.0456 12.922 TIMING: 1155200 CPU: 3604.47, 0.00313177/step Wall: 3604.47, 0.00313177/step, 3.34473 hours remaining, 233.675781 MB of memory in use. ENERGY: 1155200 3990.3601 20439.9999 14314.5437 236.6429 -203660.7064 2914.3451 0.0000 0.0000 52078.0044 -109686.8103 299.2930 -161764.8147 -109327.6973 298.3940 -67.0039 -38.9859 763686.4686 1.8986 1.8008 PRESSURE: 1155400 487.395 194.524 160.159 194.524 145.314 -27.6043 160.159 -27.6051 96.2006 GPRESSURE: 1155400 470.376 96.7607 96.0683 263.526 235.815 21.9417 -24.6746 11.8061 107.289 PRESSAVG: 1155400 12.7394 42.1335 33.9242 42.1335 -29.6543 14.41 33.9242 14.41 6.93406 GPRESSAVG: 1155400 11.9392 39.9815 36.9015 42.6834 -28.8116 14.168 30.4994 15.9 7.46672 TIMING: 1155400 CPU: 3605.1, 0.00311873/step Wall: 3605.1, 0.00311873/step, 3.33063 hours remaining, 233.675781 MB of memory in use. ENERGY: 1155400 3971.0356 20497.7250 14418.5207 243.4091 -203693.1149 3030.6235 0.0000 0.0000 52090.3186 -109441.4824 299.3638 -161531.8010 -109071.8300 298.6892 242.9700 271.1597 763584.3408 -3.3269 -3.1352 PRESSURE: 1155600 140.384 172.067 325.052 172.068 -118.004 53.6054 325.052 53.606 2.28095 GPRESSURE: 1155600 271.104 134.798 229.193 168.283 -118.829 187.129 59.4079 62.6384 -30.7876 PRESSAVG: 1155600 -31.5929 40.0728 29.7033 40.0728 41.9206 6.05557 29.7033 6.05551 21.9708 GPRESSAVG: 1155600 -32.9812 40.4348 28.4186 39.5236 41.7751 7.577 30.6196 1.7854 23.1059 TIMING: 1155600 CPU: 3605.72, 0.00311012/step Wall: 3605.72, 0.00311012/step, 3.32126 hours remaining, 233.675781 MB of memory in use. ENERGY: 1155600 3938.2884 20488.0712 14375.1131 258.5451 -203535.9805 2978.8000 0.0000 0.0000 52130.1052 -109367.0574 299.5924 -161497.1626 -109006.3210 299.1338 8.2202 40.4958 762214.4893 10.7661 10.6333 PRESSURE: 1155800 151.019 -4.88076 -35.2581 -4.88061 41.8637 94.6097 -35.2575 94.6098 456.285 GPRESSURE: 1155800 172.032 9.79118 -53.7911 62.167 43.9557 115.019 123.739 -17.2281 497.419 PRESSAVG: 1155800 -63.1055 47.1518 25.1133 47.1517 5.86458 -3.18457 25.1133 -3.1846 11.9334 GPRESSAVG: 1155800 -62.9221 48.3784 24.8637 47.1145 5.845 -4.14782 25.6887 -2.25797 11.8382 TIMING: 1155800 CPU: 3606.34, 0.00312324/step Wall: 3606.34, 0.00312324/step, 3.3351 hours remaining, 233.675781 MB of memory in use. ENERGY: 1155800 4045.4608 20494.4260 14387.5079 237.1313 -203783.9129 3039.7406 0.0000 0.0000 52104.1261 -109475.5201 299.4431 -161579.6462 -109111.2406 298.4704 216.3892 237.8020 764721.9659 -15.1025 -15.0796 PRESSURE: 1156000 146.656 356.982 -277.349 356.981 358.439 -113.941 -277.35 -113.941 -61.9661 GPRESSURE: 1156000 157.427 352.074 -307.777 331.914 448.444 -175.553 -246.4 -162.666 -63.3804 PRESSAVG: 1156000 33.604 67.0517 -3.93525 67.0517 -1.89246 6.43503 -3.93526 6.43505 18.5948 GPRESSAVG: 1156000 34.4043 67.1331 -3.59049 66.6517 -1.78953 8.33776 -4.0228 6.74261 17.507 TIMING: 1156000 CPU: 3606.97, 0.00312165/step Wall: 3606.97, 0.00312165/step, 3.33323 hours remaining, 233.675781 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: 1156000 3998.7175 20495.9887 14411.5714 233.1550 -203440.0971 2893.9530 0.0000 0.0000 51792.8538 -109613.8576 297.6542 -161406.7115 -109246.1732 298.3984 147.7096 180.8303 762067.0181 16.7688 16.7073 PRESSURE: 1156200 117.846 -35.7522 -79.5685 -35.7519 -157.241 -27.213 -79.5682 -27.2146 -112.226 GPRESSURE: 1156200 158.016 -16.1792 -11.0855 -87.902 -97.4002 -64.3096 -183.591 -25.9044 -129.117 PRESSAVG: 1156200 -4.17 10.1014 14.9743 10.1014 30.8841 16.4172 14.9743 16.4172 -13.2678 GPRESSAVG: 1156200 -3.60781 11.0128 14.4838 8.14185 30.2399 13.712 13.6702 15.4892 -12.96 TIMING: 1156200 CPU: 3607.59, 0.00312954/step Wall: 3607.59, 0.00312954/step, 3.34148 hours remaining, 233.675781 MB of memory in use. ENERGY: 1156200 4008.0379 20394.6774 14369.7345 255.5591 -203251.6185 2685.2268 0.0000 0.0000 52014.2122 -109524.1707 298.9264 -161538.3828 -109167.1887 298.5322 -50.5405 -22.8335 762406.2687 4.4821 4.5574 LDB: ============= START OF LOAD BALANCING ============== 3620.07 LDB: ============== END OF LOAD BALANCING =============== 3620.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3620.07 LDB: ============= START OF LOAD BALANCING ============== 3620.39 LDB: Largest compute 6972 load 0.030713 is 15.7% of average load 0.195050 LDB: Average compute 0.004389 is 2.3% of average load 0.195050 LDB: TIME 3620.39 LOAD: AVG 0.19505 MAX 0.21771 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.934 MB LDB: TIME 3620.39 LOAD: AVG 0.19505 MAX 0.21771 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.934 MB LDB: TIME 3620.39 LOAD: AVG 0.19505 MAX 0.215556 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.934 MB LDB: ============== END OF LOAD BALANCING =============== 3620.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3620.4 PRESSURE: 1156400 152.025 -30.3855 -70.3816 -30.3868 147.012 -114.926 -70.3813 -114.925 -331.442 GPRESSURE: 1156400 167.047 -26.2755 -0.076586 -40.9338 156.862 -209.878 -92.3602 -83.2068 -281.753 PRESSAVG: 1156400 -31.7907 -19.1542 -44.4741 -19.1542 49.4057 -27.039 -44.4741 -27.039 -34.4962 GPRESSAVG: 1156400 -31.3691 -19.1162 -44.9275 -18.4126 50.064 -25.6235 -42.4077 -25.9108 -35.2549 TIMING: 1156400 CPU: 3608.23, 0.00320549/step Wall: 3608.23, 0.00320549/step, 3.42239 hours remaining, 233.539062 MB of memory in use. ENERGY: 1156400 3984.9729 20654.9744 14399.8075 263.9495 -202840.3884 2370.2902 0.0000 0.0000 51735.9034 -109430.4906 297.3269 -161166.3939 -109073.2288 298.1343 -10.8014 14.0519 764042.3969 -5.6271 -5.5200 PRESSURE: 1156600 101.162 113.073 156.326 113.073 -462.736 87.8851 156.326 87.885 -37.9612 GPRESSURE: 1156600 174.485 119.433 115.344 104.143 -433.194 129.361 130.617 59.4234 -51.2639 PRESSAVG: 1156600 46.6226 22.1438 38.2825 22.1438 -10.9102 14.8107 38.2825 14.8107 23.7821 GPRESSAVG: 1156600 46.9836 23.2839 39.5378 21.9204 -11.8035 14.3307 37.3222 14.9475 24.2099 TIMING: 1156600 CPU: 3608.86, 0.0031216/step Wall: 3608.86, 0.0031216/step, 3.33265 hours remaining, 233.539062 MB of memory in use. ENERGY: 1156600 4028.7382 20549.8422 14374.9932 250.8002 -203335.6267 2738.6204 0.0000 0.0000 51962.4530 -109430.1794 298.6289 -161392.6324 -109069.8892 298.2718 -133.1784 -103.3244 763283.9668 19.8315 19.7966 PRESSURE: 1156800 111.857 164.914 103.751 164.914 -245.158 53.2947 103.752 53.2954 -82.4048 GPRESSURE: 1156800 36.0684 169.396 156.242 183.274 -58.5488 -6.2409 18.5952 97.7633 -103.674 PRESSAVG: 1156800 33.655 28.4272 4.84629 28.4272 -63.8229 -15.5225 4.84636 -15.5224 -7.7618 GPRESSAVG: 1156800 32.1559 25.464 5.78189 29.1265 -62.5356 -15.7333 4.01584 -15.3074 -7.51385 TIMING: 1156800 CPU: 3609.48, 0.00311795/step Wall: 3609.48, 0.00311794/step, 3.32858 hours remaining, 233.539062 MB of memory in use. ENERGY: 1156800 4024.4047 20619.0796 14394.0687 245.1559 -203369.6235 2758.4316 0.0000 0.0000 51915.0462 -109413.4368 298.3565 -161328.4830 -109053.9503 298.8833 -71.9022 -42.0516 762475.3277 -12.6433 -12.6312 PRESSURE: 1157000 146.873 91.0427 -93.7228 91.042 -103.241 -37.6436 -93.7231 -37.6428 -215.343 GPRESSURE: 1157000 124.963 113.872 -121.574 82.0268 -101.612 -40.8579 -71.7873 -33.2653 -105.601 PRESSAVG: 1157000 32.5326 39.8832 28.9248 39.8832 -21.0541 -12.4914 28.9248 -12.4915 -4.61705 GPRESSAVG: 1157000 33.1301 41.6737 29.4582 40.5465 -21.6847 -12.0962 28.3914 -12.1628 -4.45115 TIMING: 1157000 CPU: 3610.11, 0.00312016/step Wall: 3610.11, 0.00312016/step, 3.33077 hours remaining, 233.539062 MB of memory in use. ENERGY: 1157000 3993.2343 20559.7764 14371.3265 262.3736 -203464.9584 3006.2839 0.0000 0.0000 51798.3304 -109473.6332 297.6857 -161271.9636 -109116.3870 298.7860 -57.2371 -27.4169 762648.5447 2.2872 2.3314 PRESSURE: 1157200 -153.129 257.469 -243.447 257.469 105.16 -119.438 -243.448 -119.439 -176.868 GPRESSURE: 1157200 -27.3368 163.421 -223.256 282.637 86.9777 -36.2109 -242.415 25.4103 -200.975 PRESSAVG: 1157200 -1.31308 66.2024 19.8616 66.2023 49.3385 -6.06761 19.8615 -6.06758 -8.46947 GPRESSAVG: 1157200 -2.20241 64.6781 18.5142 65.1965 48.6784 -7.12624 22.341 -7.78054 -7.18136 TIMING: 1157200 CPU: 3610.73, 0.00311705/step Wall: 3610.73, 0.00311705/step, 3.32728 hours remaining, 233.539062 MB of memory in use. ENERGY: 1157200 3952.6897 20534.0160 14368.8808 251.6904 -203597.8825 2886.9012 0.0000 0.0000 52123.6659 -109480.0384 299.5554 -161603.7044 -109118.6610 298.7057 -74.9458 -47.1113 764121.1991 13.1853 13.0982 PRESSURE: 1157400 92.1404 -180.885 113.612 -180.884 -521.97 -152.043 113.612 -152.042 -216.061 GPRESSURE: 1157400 103.958 -110.73 69.988 -122.804 -546.574 -254.494 168.318 -68.695 -135.289 PRESSAVG: 1157400 2.84189 1.86987 -40.8736 1.86996 30.0222 -72.2595 -40.8736 -72.2595 9.46251 GPRESSAVG: 1157400 3.59566 1.02976 -41.2287 3.67039 31.2522 -71.5355 -39.1449 -72.1862 8.00317 TIMING: 1157400 CPU: 3611.36, 0.00313335/step Wall: 3611.36, 0.00313335/step, 3.34451 hours remaining, 233.539062 MB of memory in use. ENERGY: 1157400 4073.3518 20780.3708 14359.8552 256.2619 -203742.6959 2959.3206 0.0000 0.0000 51940.5050 -109373.0306 298.5028 -161313.5356 -109021.4367 298.5925 -215.2968 -192.6351 763556.6141 14.1089 14.2837 PRESSURE: 1157600 14.4246 37.1772 85.6558 37.177 -227.204 -170.797 85.6559 -170.797 33.9472 GPRESSURE: 1157600 30.8419 27.8738 79.9989 -72.2313 -142.546 -207.688 4.82616 -189.512 21.6658 PRESSAVG: 1157600 4.42176 8.24352 -18.6016 8.24351 -15.5749 -27.9405 -18.6014 -27.9404 27.8344 GPRESSAVG: 1157600 4.72632 9.70106 -17.8945 6.89239 -15.3985 -27.154 -20.1767 -28.1665 28.1129 TIMING: 1157600 CPU: 3611.98, 0.00310927/step Wall: 3611.98, 0.00310927/step, 3.31863 hours remaining, 233.539062 MB of memory in use. ENERGY: 1157600 4042.0815 20517.7958 14430.9153 262.6296 -203305.4570 2794.4749 0.0000 0.0000 51855.5987 -109401.9612 298.0148 -161257.5599 -109042.4454 298.8498 -59.6107 -30.0129 762739.3358 5.5604 5.8136 PRESSURE: 1157800 -262.738 18.4006 121.949 18.4003 -264.813 -33.6096 121.949 -33.6096 -275.366 GPRESSURE: 1157800 -219.114 -18.8837 45.3871 -27.36 -229.843 59.5319 133.169 -90.9927 -271.688 PRESSAVG: 1157800 0.0896036 -0.117242 29.4177 -0.117165 -0.573123 -44.499 29.4177 -44.499 -7.0466 GPRESSAVG: 1157800 0.94355 -0.615772 30.2997 -0.0619564 -2.11689 -43.2843 29.391 -47.1123 -6.80852 TIMING: 1157800 CPU: 3612.61, 0.0031356/step Wall: 3612.61, 0.0031356/step, 3.34656 hours remaining, 233.539062 MB of memory in use. ENERGY: 1157800 4012.3450 20691.0957 14382.3641 257.0714 -203457.1970 2662.9168 0.0000 0.0000 52006.9420 -109444.4620 298.8846 -161451.4039 -109084.1666 298.4888 -267.6390 -240.2151 763611.8301 -2.5100 -2.6606 PRESSURE: 1158000 114.3 -18.8492 -122.557 -18.8496 -41.8525 -146.802 -122.558 -146.802 40.6102 GPRESSURE: 1158000 254.607 -126.884 -32.3999 -8.55117 -47.3532 -66.4601 -85.8743 -164.196 -30.0604 PRESSAVG: 1158000 21.0594 40.3789 30.2574 40.3789 -4.35525 30.2682 30.2575 30.2683 -30.1246 GPRESSAVG: 1158000 21.0474 42.7972 30.2063 40.3378 -4.90828 29.293 30.4632 32.6711 -30.1181 TIMING: 1158000 CPU: 3613.23, 0.00313248/step Wall: 3613.23, 0.00313248/step, 3.34305 hours remaining, 233.539062 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: 1158000 3928.7555 20628.8230 14400.8891 249.3136 -204045.6498 2934.8497 0.0000 0.0000 52275.8586 -109627.1602 300.4301 -161903.0189 -109260.7820 299.3114 37.6859 59.0645 760559.6528 -4.4735 -4.6597 PRESSURE: 1158200 220.332 -64.7469 -115.144 -64.747 -450.951 97.4098 -115.144 97.41 -162.505 GPRESSURE: 1158200 191.875 -28.8938 -93.8688 -11.8406 -338.703 71.325 2.45555 80.662 -151.381 PRESSAVG: 1158200 50.3722 21.946 -2.80206 21.946 -62.4267 58.1831 -2.80206 58.1831 4.56757 GPRESSAVG: 1158200 49.2416 20.6777 -2.7487 21.6198 -62.1367 58.8368 -4.27977 59.8064 5.26275 TIMING: 1158200 CPU: 3613.86, 0.00311922/step Wall: 3613.86, 0.00311922/step, 3.32873 hours remaining, 233.539062 MB of memory in use. ENERGY: 1158200 3983.9654 20364.4287 14465.8423 251.0525 -203823.5727 2908.3066 0.0000 0.0000 52221.6700 -109628.3072 300.1187 -161849.9772 -109262.7195 298.6134 -131.0411 -99.4031 762064.6476 -2.4956 -2.5441 PRESSURE: 1158400 346.77 51.9513 6.12884 51.9515 -13.1027 25.2244 6.12846 25.2245 -44.4434 GPRESSURE: 1158400 287.987 80.2149 -134.318 54.9541 52.9761 -37.3842 -2.7891 110.619 33.3789 PRESSAVG: 1158400 53.8778 4.74187 -32.8713 4.74182 -18.6704 -33.2632 -32.8712 -33.2632 -15.222 GPRESSAVG: 1158400 54.0248 3.93647 -33.2387 4.665 -17.992 -34.6565 -32.0887 -32.6468 -15.8745 TIMING: 1158400 CPU: 3614.48, 0.00310158/step Wall: 3614.48, 0.00310158/step, 3.30973 hours remaining, 233.539062 MB of memory in use. ENERGY: 1158400 3947.3433 20440.8998 14443.2660 253.2931 -203511.8588 2902.6762 0.0000 0.0000 52090.5438 -109433.8367 299.3651 -161524.3805 -109073.9013 298.7235 96.4079 124.7808 762350.8144 6.6618 6.7194 PRESSURE: 1158600 -246.314 212.925 88.5806 212.924 64.6026 21.2042 88.5794 21.2042 180.407 GPRESSURE: 1158600 -193.158 171.74 125.335 107.123 93.8364 -10.3072 108.849 -45.9415 178.552 PRESSAVG: 1158600 -34.7237 11.1778 9.70526 11.1778 29.9575 11.556 9.70524 11.556 17.4073 GPRESSAVG: 1158600 -34.8757 8.62691 10.8429 13.3293 29.2227 12.1994 10.3269 10.6888 17.84 TIMING: 1158600 CPU: 3615.1, 0.0031163/step Wall: 3615.1, 0.0031163/step, 3.32527 hours remaining, 233.539062 MB of memory in use. ENERGY: 1158600 3957.2116 20440.6605 14456.8235 227.8819 -203677.6463 3006.4533 0.0000 0.0000 52128.8502 -109459.7653 299.5852 -161588.6155 -109108.1577 299.0451 -0.4351 26.4102 761493.9347 4.2137 4.0623 PRESSURE: 1158800 -12.2238 205.467 -127.766 205.467 52.0188 -33.2433 -127.766 -33.2435 -193.048 GPRESSURE: 1158800 49.3848 109.095 -82.0477 191.577 68.4818 -17.6284 -172.856 -124.178 -203.621 PRESSAVG: 1158800 0.0324293 52.6777 -49.9769 52.6778 -4.76934 35.9243 -49.9769 35.9242 2.38936 GPRESSAVG: 1158800 -0.967942 55.5158 -49.8185 49.5321 -2.99212 35.8008 -49.3988 37.2103 1.42236 TIMING: 1158800 CPU: 3615.72, 0.00310974/step Wall: 3615.72, 0.00310974/step, 3.31809 hours remaining, 233.539062 MB of memory in use. ENERGY: 1158800 4019.7165 20531.5706 14466.0926 247.5223 -203462.7350 2882.3894 0.0000 0.0000 51813.3585 -109502.0853 297.7721 -161315.4437 -109144.2947 298.9423 -51.0844 -28.5847 760231.2583 -0.7825 -0.8459 PRESSURE: 1159000 -33.148 188.826 -29.55 188.826 38.9141 220.659 -29.5505 220.66 75.348 GPRESSURE: 1159000 -30.9731 281.293 -71.2119 165.018 76.6565 205.307 14.3453 185.308 98.5724 PRESSAVG: 1159000 21.1074 67.4225 -57.0565 67.4226 39.158 -9.77011 -57.0565 -9.77013 -12.7391 GPRESSAVG: 1159000 20.7104 65.1705 -58.8089 69.0254 37.7001 -8.72656 -57.2667 -12.2688 -10.2733 TIMING: 1159000 CPU: 3616.34, 0.00311872/step Wall: 3616.34, 0.00311872/step, 3.3275 hours remaining, 233.539062 MB of memory in use. ENERGY: 1159000 4006.1522 20617.8347 14406.5737 237.8795 -203515.9595 2827.8345 0.0000 0.0000 51974.3749 -109445.3101 298.6974 -161419.6849 -109088.5651 298.7132 27.0380 48.0853 760424.7541 15.8421 16.0458 PRESSURE: 1159200 80.698 67.907 222.129 67.9068 -62.2158 21.0387 222.13 21.0393 164.151 GPRESSURE: 1159200 173.569 68.4253 136.774 43.9922 -33.4877 30.9141 272.343 -66.5866 114.333 PRESSAVG: 1159200 41.7259 18.2456 4.83234 18.2456 27.9587 -18.3252 4.83231 -18.3252 10.6063 GPRESSAVG: 1159200 42.8097 19.4219 5.50184 19.6246 28.1135 -17.7888 3.47346 -17.7198 9.23367 TIMING: 1159200 CPU: 3616.97, 0.00311553/step Wall: 3616.97, 0.00311553/step, 3.32392 hours remaining, 233.539062 MB of memory in use. ENERGY: 1159200 3967.3485 20463.1104 14454.3722 250.2481 -203726.5433 2951.2399 0.0000 0.0000 52059.3649 -109580.8593 299.1859 -161640.2241 -109214.7921 298.6394 60.8776 84.8046 761208.5528 26.7636 26.7190 PRESSURE: 1159400 -140.401 -53.5701 59.1129 -53.5702 -260.973 -100.861 59.1132 -100.862 -375.925 GPRESSURE: 1159400 -153.643 -4.91277 68.6451 -128.137 -94.5067 -180.361 179.451 -84.797 -415.648 PRESSAVG: 1159400 28.3936 54.6195 -20.4507 54.6195 -22.3564 5.78429 -20.4507 5.78417 2.30553 GPRESSAVG: 1159400 27.7601 55.2566 -21.8331 53.3457 -21.8145 4.45069 -18.9174 6.69529 2.27716 TIMING: 1159400 CPU: 3617.59, 0.00312876/step Wall: 3617.59, 0.00312876/step, 3.33786 hours remaining, 233.539062 MB of memory in use. ENERGY: 1159400 3843.4413 20244.2840 14474.9389 235.5796 -203192.5950 2527.9659 0.0000 0.0000 52079.9364 -109786.4489 299.3041 -161866.3852 -109405.4921 298.1316 -259.0995 -221.2660 761879.1758 2.7809 2.7409 PRESSURE: 1159600 -448.694 -240.476 -11.2917 -240.475 159.577 100.279 -11.2918 100.28 -563.029 GPRESSURE: 1159600 -308.064 -194.235 -10.1694 -335.947 88.8581 234.835 -41.8727 135.265 -542.219 PRESSAVG: 1159600 -70.7973 10.8781 7.30702 10.8782 52.8589 18.3489 7.30699 18.3489 -20.0681 GPRESSAVG: 1159600 -70.0368 12.3005 8.82494 9.61776 52.6289 18.4321 7.02771 19.0836 -20.3114 TIMING: 1159600 CPU: 3618.22, 0.00313516/step Wall: 3618.22, 0.00313516/step, 3.34452 hours remaining, 233.539062 MB of memory in use. ENERGY: 1159600 4027.4027 20364.1674 14435.3774 241.0984 -203742.7629 2834.2845 0.0000 0.0000 51959.2854 -109881.1471 298.6107 -161840.4325 -109517.0206 297.6750 -284.0485 -253.8084 761568.6103 -12.6688 -12.5731 PRESSURE: 1159800 119.661 283.701 14.1117 283.702 -246.15 -83.2557 14.1108 -83.2552 376.55 GPRESSURE: 1159800 106.977 166.639 47.0314 166.655 -221.997 -73.8413 41.2279 -126.516 434.07 PRESSAVG: 1159800 -18.5445 45.9876 7.72894 45.9876 59.9155 29.2262 7.72894 29.2262 0.686685 GPRESSAVG: 1159800 -18.8829 42.9784 8.12897 46.4615 59.0491 29.4892 5.99957 26.8383 1.28353 TIMING: 1159800 CPU: 3618.85, 0.00312584/step Wall: 3618.85, 0.00312584/step, 3.3344 hours remaining, 233.539062 MB of memory in use. ENERGY: 1159800 3947.2183 20407.3740 14408.0552 258.1107 -204105.1003 3398.0375 0.0000 0.0000 52090.4178 -109595.8867 299.3643 -161686.3045 -109234.7057 298.3416 83.3536 106.3500 761277.1650 14.0192 13.8165 PRESSURE: 1160000 381.372 -136.971 195.903 -136.97 281.146 100.783 195.903 100.782 381.949 GPRESSURE: 1160000 374.777 27.1035 173.431 -98.1014 391.257 62.6803 128.998 74.7241 363.419 PRESSAVG: 1160000 7.42174 -49.1333 -25.9416 -49.1332 16.2972 -24.1554 -25.9416 -24.1553 39.6066 GPRESSAVG: 1160000 7.31802 -47.7808 -27.1527 -49.1236 16.4753 -25.1127 -23.9757 -22.8143 39.5451 TIMING: 1160000 CPU: 3619.47, 0.00311454/step Wall: 3619.47, 0.00311454/step, 3.32217 hours remaining, 233.539062 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: 1160000 3913.7072 20413.8085 14445.1532 249.8348 -203652.4057 3084.4700 0.0000 0.0000 51774.9359 -109770.4960 297.5513 -161545.4319 -109425.5254 297.8310 348.1555 376.4844 760208.6125 21.1085 21.1128 PRESSURE: 1160200 -502.781 146.344 -216.278 146.344 -226.815 13.8422 -216.279 13.8417 -72.2886 GPRESSURE: 1160200 -439.302 132.631 -168.471 214.176 -230.109 -4.09865 -253.581 30.4802 -24.1292 PRESSAVG: 1160200 -20.1197 39.6899 6.36454 39.6899 16.4319 -41.6092 6.36457 -41.6092 -16.5476 GPRESSAVG: 1160200 -20.6084 39.6152 5.68952 38.6035 17.8891 -41.307 6.13766 -41.9454 -17.3631 TIMING: 1160200 CPU: 3620.09, 0.00312677/step Wall: 3620.09, 0.00312677/step, 3.33505 hours remaining, 233.539062 MB of memory in use. ENERGY: 1160200 3969.6895 20406.4089 14475.3275 263.9835 -203387.8315 2608.1225 0.0000 0.0000 51893.4597 -109770.8398 298.2324 -161664.2995 -109413.2351 297.4622 -267.2950 -231.1798 760613.6843 -6.7452 -6.6941 LDB: ============= START OF LOAD BALANCING ============== 3632.57 LDB: ============== END OF LOAD BALANCING =============== 3632.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3632.58 LDB: ============= START OF LOAD BALANCING ============== 3632.89 LDB: Largest compute 6977 load 0.030386 is 15.6% of average load 0.195175 LDB: Average compute 0.004394 is 2.3% of average load 0.195175 LDB: TIME 3632.89 LOAD: AVG 0.195175 MAX 0.216105 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.473 MB LDB: TIME 3632.89 LOAD: AVG 0.195175 MAX 0.216105 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.477 MB LDB: TIME 3632.89 LOAD: AVG 0.195175 MAX 0.216105 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.477 MB LDB: ============== END OF LOAD BALANCING =============== 3632.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3632.9 PRESSURE: 1160400 480.084 12.0522 -443.735 12.0525 -88.3284 -54.8975 -443.734 -54.8978 199.796 GPRESSURE: 1160400 412.833 -0.39612 -378.616 -11.3526 -12.9657 -88.0273 -341.207 -21.8996 277.251 PRESSAVG: 1160400 6.6689 19.3669 -31.313 19.3668 -2.00574 -15.733 -31.3129 -15.733 -22.1958 GPRESSAVG: 1160400 5.89443 17.5526 -28.9219 21.4631 -2.48347 -13.5299 -31.0585 -16.1962 -20.6579 TIMING: 1160400 CPU: 3620.73, 0.0031969/step Wall: 3620.73, 0.0031969/step, 3.40967 hours remaining, 234.753906 MB of memory in use. ENERGY: 1160400 3909.8071 20491.3191 14497.5572 248.6579 -203515.2511 2678.5132 0.0000 0.0000 52079.8662 -109609.5304 299.3037 -161689.3966 -109255.4164 298.2859 197.1838 225.7060 759798.1596 -5.8442 -5.7490 PRESSURE: 1160600 -68.9135 170.823 102.266 170.822 -467.019 177.473 102.266 177.473 216.91 GPRESSURE: 1160600 23.1004 169.096 67.6607 79.0635 -408.168 144.046 144.188 147.546 170.064 PRESSAVG: 1160600 33.4571 9.40195 17.9282 9.40189 -28.4788 39.6694 17.9282 39.6694 -24.7713 GPRESSAVG: 1160600 34.0578 11.4616 17.0044 7.50765 -28.5468 39.2275 19.1714 39.8153 -25.3564 TIMING: 1160600 CPU: 3621.36, 0.00312856/step Wall: 3621.36, 0.00312856/step, 3.33661 hours remaining, 234.824219 MB of memory in use. ENERGY: 1160600 3946.1521 20410.0919 14457.1583 242.0999 -203448.4254 2704.5349 0.0000 0.0000 51989.4890 -109698.8992 298.7843 -161688.3882 -109340.3870 298.4610 -106.3407 -71.6678 760403.3361 -6.5977 -6.6151 PRESSURE: 1160800 -214.673 139.637 66.0513 139.637 -597.365 -145.309 66.0528 -145.309 -289.631 GPRESSURE: 1160800 -162.764 167.566 105.509 181.588 -568.907 -185.274 140.48 -60.3937 -290.928 PRESSAVG: 1160800 -20.2777 92.1984 -43.0916 92.1983 13.9113 16.3481 -43.0916 16.348 26.5206 GPRESSAVG: 1160800 -20.428 88.9823 -41.9675 93.1072 14.4505 13.9943 -45.1452 17.551 26.1045 TIMING: 1160800 CPU: 3621.98, 0.00312436/step Wall: 3621.98, 0.00312436/step, 3.33195 hours remaining, 234.824219 MB of memory in use. ENERGY: 1160800 3989.9636 20527.6159 14446.9844 271.1973 -202995.8968 2452.0229 0.0000 0.0000 51803.9424 -109504.1704 297.7180 -161308.1128 -109142.6710 298.3894 -367.2226 -340.8664 762935.8984 6.7180 6.7090 PRESSURE: 1161000 163.535 -27.1238 -206.699 -27.1235 230.144 305.429 -206.699 305.428 422.207 GPRESSURE: 1161000 163.272 46.3999 -191.976 -2.49048 220.369 356.99 -184.308 208.296 507.91 PRESSAVG: 1161000 1.08789 30.9837 -6.77456 30.9837 22.5458 3.0996 -6.77452 3.09968 2.09575 GPRESSAVG: 1161000 1.36947 33.621 -7.51194 29.6951 21.5592 6.56252 -5.78686 2.46593 3.05381 TIMING: 1161000 CPU: 3622.61, 0.00313838/step Wall: 3622.61, 0.00313838/step, 3.34673 hours remaining, 234.824219 MB of memory in use. ENERGY: 1161000 3879.9752 20369.9856 14497.9131 256.1610 -203253.0820 2816.7623 0.0000 0.0000 51852.2457 -109580.0392 297.9956 -161432.2849 -109227.8242 298.1444 271.9622 297.1838 760839.2166 8.5765 8.6608 PRESSURE: 1161200 -148.032 -62.3797 79.7058 -62.3795 -374.288 87.6396 79.7058 87.6404 -182.458 GPRESSURE: 1161200 -56.7899 -114.591 93.0809 58.9786 -310.969 110.151 35.5016 124.866 -266.905 PRESSAVG: 1161200 33.0205 3.82337 40.6091 3.8234 -68.5883 37.4734 40.6091 37.4733 -11.0466 GPRESSAVG: 1161200 33.3825 5.01247 39.7839 5.46996 -69.2392 35.6224 41.0399 37.5423 -10.7575 TIMING: 1161200 CPU: 3623.24, 0.00312471/step Wall: 3623.24, 0.00312471/step, 3.33198 hours remaining, 234.824219 MB of memory in use. ENERGY: 1161200 3946.3402 20501.8880 14440.1673 231.3282 -203183.7321 2735.0815 0.0000 0.0000 51608.4438 -109720.4831 296.5944 -161328.9269 -109374.8056 297.7157 -234.9264 -211.5545 763196.3314 -15.5381 -15.5381 PRESSURE: 1161400 -57.2015 -34.1478 129.648 -34.1477 133.877 5.26279 129.647 5.26257 155.07 GPRESSURE: 1161400 16.3569 -50.7494 78.7527 -31.457 135.749 -5.38504 196.108 75.7198 151.337 PRESSAVG: 1161400 -7.42177 -11.6583 17.1289 -11.6583 13.7158 -17.0193 17.1289 -17.0194 -6.94625 GPRESSAVG: 1161400 -8.25249 -12.5874 18.4449 -12.837 14.8152 -17.5388 16.663 -17.4079 -7.00306 TIMING: 1161400 CPU: 3623.86, 0.00312833/step Wall: 3623.86, 0.00312833/step, 3.33567 hours remaining, 234.824219 MB of memory in use. ENERGY: 1161400 3927.8718 20478.7265 14428.8583 228.1949 -203757.7992 2980.1298 0.0000 0.0000 52250.0675 -109463.9505 300.2819 -161714.0180 -109096.8198 297.7717 77.2485 101.1476 762947.7035 -0.2174 -0.1468 PRESSURE: 1161600 434.122 -2.13761 140.752 -2.13705 92.0609 124.707 140.752 124.707 173.651 GPRESSURE: 1161600 497.355 71.0931 159.839 96.0886 170.944 77.0862 109.508 203.675 129.963 PRESSAVG: 1161600 -16.4965 59.9078 35.0057 59.9077 -30.2678 24.7234 35.0057 24.7232 -0.0149228 GPRESSAVG: 1161600 -15.5968 58.6356 34.8644 62.1465 -30.127 24.2955 34.8431 25.7327 -0.789144 TIMING: 1161600 CPU: 3624.49, 0.00315014/step Wall: 3624.49, 0.00315014/step, 3.35875 hours remaining, 234.824219 MB of memory in use. ENERGY: 1161600 3911.9767 20514.5400 14444.8452 235.7665 -203690.5843 3083.6795 0.0000 0.0000 51946.6444 -109553.1321 298.5381 -161499.7765 -109182.0922 298.6710 233.2777 266.0876 762454.3686 -15.5931 -15.5043 PRESSURE: 1161800 112.707 -48.2255 -215.398 -48.2256 -253.952 89.0661 -215.399 89.0663 -173.019 GPRESSURE: 1161800 51.2947 -148.231 -223.379 -65.5028 -206.204 9.25806 -159.042 82.7526 -77.2358 PRESSAVG: 1161800 3.69581 7.77145 0.806299 7.77147 -2.92359 25.5034 0.806326 25.5034 -7.89797 GPRESSAVG: 1161800 2.4957 8.23128 -0.168163 5.82648 -3.0767 26.1004 0.759522 24.11 -6.34926 TIMING: 1161800 CPU: 3625.12, 0.00315634/step Wall: 3625.12, 0.00315634/step, 3.36518 hours remaining, 234.824219 MB of memory in use. ENERGY: 1161800 3990.0063 20421.7620 14469.0480 257.6902 -202587.4990 2384.7277 0.0000 0.0000 51858.7938 -109205.4710 298.0332 -161064.2648 -108846.5314 298.6731 -104.7547 -77.3818 762367.2377 -2.3753 -2.3101 PRESSURE: 1162000 -17.3316 38.3563 -182.457 38.3562 289.976 139.656 -182.458 139.656 200.97 GPRESSURE: 1162000 120.826 68.6389 -255.642 116.692 323.915 152.842 -91.8314 141.972 108.859 PRESSAVG: 1162000 -16.4864 3.21258 -8.16963 3.21257 7.57841 53.6472 -8.16961 53.6471 3.44898 GPRESSAVG: 1162000 -13.8171 3.54309 -8.64478 4.30408 6.87091 54.4784 -9.8147 52.401 1.23075 TIMING: 1162000 CPU: 3625.75, 0.00311666/step Wall: 3625.75, 0.00311666/step, 3.3227 hours remaining, 234.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1162000 3983.0724 20524.6515 14449.0525 256.4723 -202853.2398 2620.0583 0.0000 0.0000 51811.3897 -109208.5431 297.7608 -161019.9328 -108852.8827 298.8655 157.8715 184.5333 760981.3464 -1.8197 -1.9051 PRESSURE: 1162200 -395.136 -21.0588 88.6418 -21.0584 183.022 26.1551 88.6409 26.1553 24.5803 GPRESSURE: 1162200 -399.145 65.6503 23.044 67.2374 215.223 -26.0465 83.1765 25.752 84.0363 PRESSAVG: 1162200 -67.4831 9.32356 3.99238 9.32356 94.4835 -7.01243 3.9924 -7.01247 1.19042 GPRESSAVG: 1162200 -69.5433 10.4273 3.37422 9.54344 95.6827 -7.59325 6.41188 -4.40477 1.87661 TIMING: 1162200 CPU: 3626.37, 0.00311897/step Wall: 3626.37, 0.00311896/step, 3.32499 hours remaining, 234.824219 MB of memory in use. ENERGY: 1162200 3972.3674 20491.3791 14407.0182 261.6188 -203208.7635 2584.7768 0.0000 0.0000 52158.7613 -109332.8418 299.7571 -161491.6031 -108974.9452 298.8231 -62.5113 -33.2952 760572.0699 9.3969 9.3387 PRESSURE: 1162400 -267.448 120.958 -15.8672 120.957 -365.609 54.3171 -15.8659 54.3175 -538.632 GPRESSURE: 1162400 -308.457 68.5872 -74.9244 -9.53861 -364.311 30.7533 25.0937 25.4215 -403.9 PRESSAVG: 1162400 -50.6384 7.75864 -25.4134 7.75866 43.3113 -4.3949 -25.4134 -4.39488 -20.0494 GPRESSAVG: 1162400 -50.5063 7.30229 -24.9365 5.99618 42.9788 -6.5697 -27.4096 -4.12077 -19.7156 TIMING: 1162400 CPU: 3626.99, 0.00311232/step Wall: 3626.99, 0.00311232/step, 3.31773 hours remaining, 234.824219 MB of memory in use. ENERGY: 1162400 3956.1381 20449.7698 14429.9349 262.2162 -202902.1739 2354.6495 0.0000 0.0000 52057.1702 -109392.2952 299.1733 -161449.4654 -109030.2377 298.7064 -390.5630 -358.8892 762257.7120 -9.1255 -9.0810 PRESSURE: 1162600 -13.4511 -30.1151 144.284 -30.1151 -331.697 -35.1735 144.285 -35.1728 96.0456 GPRESSURE: 1162600 45.163 -18.9241 116.613 -20.6601 -353.284 116.228 182.876 -122.107 98.3777 PRESSAVG: 1162600 -9.48436 -6.51284 9.37221 -6.51287 -6.69153 11.8464 9.37227 11.8465 12.0031 GPRESSAVG: 1162600 -9.92015 -7.30136 9.49016 -3.88435 -5.86075 12.5912 9.8251 11.7365 11.4103 TIMING: 1162600 CPU: 3627.62, 0.00311212/step Wall: 3627.62, 0.00311212/step, 3.31735 hours remaining, 234.824219 MB of memory in use. ENERGY: 1162600 3971.2574 20688.6240 14491.7508 261.8417 -203680.0109 3006.4228 0.0000 0.0000 52001.0726 -109259.0416 298.8509 -161260.1142 -108908.0378 298.7133 -83.0341 -69.9145 763094.5557 -1.3909 -1.4569 PRESSURE: 1162800 97.802 -32.8155 130.79 -32.8155 274.636 -30.212 130.79 -30.2109 221.482 GPRESSURE: 1162800 62.5212 -9.98689 171.605 -26.8935 329.92 -197.979 -23.1303 -18.8927 258.971 PRESSAVG: 1162800 -47.191 -10.5048 -12.7606 -10.5048 41.1763 -30.4869 -12.7606 -30.4869 -11.3602 GPRESSAVG: 1162800 -47.7258 -10.359 -12.7751 -11.8937 40.3795 -30.7963 -13.453 -29.4988 -10.4594 TIMING: 1162800 CPU: 3628.23, 0.003094/step Wall: 3628.23, 0.003094/step, 3.29786 hours remaining, 234.824219 MB of memory in use. ENERGY: 1162800 3908.6047 20530.2315 14473.8567 249.4134 -203820.2248 3192.7630 0.0000 0.0000 51989.2493 -109476.1061 298.7829 -161465.3554 -109100.7893 298.9899 197.9733 217.1374 762932.2896 -5.7916 -5.9352 PRESSURE: 1163000 -110.878 -3.49014 100.743 -3.49154 86.2936 101.493 100.743 101.494 -20.0863 GPRESSURE: 1163000 -66.057 -30.3632 70.1824 -87.9602 98.1028 121.712 147.919 10.6657 15.7025 PRESSAVG: 1163000 -9.76477 1.33197 -29.3797 1.332 15.6356 -30.1269 -29.3797 -30.1269 19.6363 GPRESSAVG: 1163000 -9.58026 2.34313 -29.5644 -0.648035 15.9887 -27.716 -27.4691 -31.2428 19.0086 TIMING: 1163000 CPU: 3628.86, 0.00310768/step Wall: 3628.86, 0.00310768/step, 3.31227 hours remaining, 234.824219 MB of memory in use. ENERGY: 1163000 3918.2613 20467.9823 14531.4387 236.8491 -203943.6672 3264.9038 0.0000 0.0000 51822.8778 -109701.3542 297.8268 -161524.2319 -109337.0405 298.3140 -14.8903 15.9161 762750.6585 8.5024 8.4724 PRESSURE: 1163200 -185.529 -145.504 -69.6106 -145.504 428.686 -55.3845 -69.6115 -55.3846 101.594 GPRESSURE: 1163200 -155.078 6.71013 -46.7066 -83.7209 399.733 -21.8084 -92.8045 7.64184 188.376 PRESSAVG: 1163200 -26.0686 28.7052 -0.908368 28.7053 5.97397 -64.8221 -0.908374 -64.822 1.35548 GPRESSAVG: 1163200 -25.7304 28.3875 -1.81351 30.9288 5.70917 -67.0947 -2.4602 -65.604 1.24264 TIMING: 1163200 CPU: 3629.48, 0.00311209/step Wall: 3629.48, 0.00311209/step, 3.3168 hours remaining, 234.824219 MB of memory in use. ENERGY: 1163200 3980.1496 20543.4088 14421.2954 274.0379 -203609.7715 2803.5052 0.0000 0.0000 52018.7970 -109568.5776 298.9527 -161587.3745 -109200.3139 298.4245 114.9168 144.3436 761731.4919 -6.2464 -6.2595 PRESSURE: 1163400 -218.983 -10.1786 93.841 -10.1777 53.5736 94.5864 93.8408 94.5874 177.719 GPRESSURE: 1163400 -68.8076 46.3301 160.006 79.5897 84.1436 12.792 -42.6887 -8.76056 75.5715 PRESSAVG: 1163400 10.4843 -33.82 2.58738 -33.82 -32.6677 -14.1023 2.5874 -14.1023 -2.27934 GPRESSAVG: 1163400 11.6205 -33.7755 3.45945 -33.7303 -32.1353 -14.6051 2.38569 -13.7084 -3.55835 TIMING: 1163400 CPU: 3630.1, 0.00312373/step Wall: 3630.1, 0.00312373/step, 3.32903 hours remaining, 234.824219 MB of memory in use. ENERGY: 1163400 4015.6465 20443.3043 14443.7140 257.6218 -203595.7229 2978.6263 0.0000 0.0000 51841.6741 -109615.1360 297.9348 -161456.8101 -109253.0305 298.6899 4.1033 30.3025 761872.5241 -8.1542 -8.0244 PRESSURE: 1163600 296.572 22.21 -146.158 22.2094 288.736 11.1654 -146.158 11.1638 -449.778 GPRESSURE: 1163600 306.283 84.5716 -100.765 48.0843 227.46 8.46134 -171.605 23.7481 -344.25 PRESSAVG: 1163600 -9.36083 18.7507 75.7966 18.7507 17.2355 51.3758 75.7967 51.3758 14.4127 GPRESSAVG: 1163600 -9.31494 18.729 76.0578 18.2386 15.6308 53.7274 75.9495 51.6942 15.6726 TIMING: 1163600 CPU: 3630.72, 0.0031008/step Wall: 3630.72, 0.0031008/step, 3.30442 hours remaining, 234.824219 MB of memory in use. ENERGY: 1163600 3975.4955 20568.8319 14410.3881 235.6871 -203556.4534 2902.8454 0.0000 0.0000 51997.7298 -109465.4757 298.8317 -161463.2054 -109107.0871 298.7341 45.1768 63.1645 761850.6261 7.4291 7.3295 PRESSURE: 1163800 -318.617 105.412 284.845 105.411 -318.362 -206.114 284.845 -206.113 -62.2845 GPRESSURE: 1163800 -314.828 -65.8236 190.852 121.248 -298.464 -206.613 131.744 -219.553 -10.2703 PRESSAVG: 1163800 15.4993 17.759 52.4688 17.759 -12.1853 1.98289 52.4687 1.98286 6.68363 GPRESSAVG: 1163800 14.9128 17.6908 51.8378 17.1774 -11.3291 1.36185 54.3213 0.661744 6.52745 TIMING: 1163800 CPU: 3631.35, 0.00311955/step Wall: 3631.35, 0.00311955/step, 3.32422 hours remaining, 234.824219 MB of memory in use. ENERGY: 1163800 4029.5863 20599.5648 14412.7716 248.4174 -202918.9694 2386.2435 0.0000 0.0000 51756.2986 -109486.0872 297.4442 -161242.3858 -109137.2238 298.5772 -233.0878 -207.8543 762913.1229 3.3326 3.3704 PRESSURE: 1164000 176.877 11.1407 111.661 11.14 -260.308 177.041 111.662 177.041 -402.184 GPRESSURE: 1164000 208.953 -53.9038 52.7699 -81.1694 -185.785 290.859 198.696 69.596 -439.193 PRESSAVG: 1164000 -2.09572 -35.3233 29.4573 -35.3233 -2.69723 -7.16593 29.4573 -7.16598 -17.6954 GPRESSAVG: 1164000 -1.87784 -33.509 29.7938 -34.0388 -2.4064 -5.81482 27.9317 -5.65668 -17.7936 TIMING: 1164000 CPU: 3631.97, 0.00312414/step Wall: 3631.97, 0.00312414/step, 3.32894 hours remaining, 234.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1164000 4009.4383 20671.6111 14387.5832 255.2113 -203443.8504 2632.4680 0.0000 0.0000 52094.7354 -109392.8030 299.3892 -161487.5384 -109025.4912 298.5719 -161.8716 -138.6752 762347.5473 -7.4961 -7.3593 PRESSURE: 1164200 -465.905 -174.069 -94.9825 -174.069 -107.164 227.811 -94.9822 227.811 -73.1577 GPRESSURE: 1164200 -395.333 -220.712 -123.197 -242.06 -195.903 210.98 -75.3041 206.721 30.0752 PRESSAVG: 1164200 4.91971 -19.2669 -6.14131 -19.2668 -11.2485 -8.42903 -6.14135 -8.42899 17.2014 GPRESSAVG: 1164200 4.80332 -19.4369 -6.18203 -22.3485 -11.0531 -9.74383 -5.04785 -7.37734 17.4684 TIMING: 1164200 CPU: 3632.6, 0.00312695/step Wall: 3632.6, 0.00312695/step, 3.33176 hours remaining, 234.824219 MB of memory in use. ENERGY: 1164200 3972.8938 20556.2257 14379.6858 236.4108 -203511.3864 2799.6498 0.0000 0.0000 52160.9701 -109405.5504 299.7698 -161566.5206 -109038.0142 298.9799 -215.4088 -187.0534 763415.9876 3.6242 3.7396 LDB: ============= START OF LOAD BALANCING ============== 3645.08 LDB: ============== END OF LOAD BALANCING =============== 3645.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3645.08 LDB: ============= START OF LOAD BALANCING ============== 3645.39 LDB: Largest compute 6986 load 0.030016 is 15.4% of average load 0.195243 LDB: Average compute 0.004393 is 2.2% of average load 0.195243 LDB: TIME 3645.4 LOAD: AVG 0.195243 MAX 0.215172 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.328 MB LDB: TIME 3645.4 LOAD: AVG 0.195243 MAX 0.215172 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.328 MB LDB: TIME 3645.4 LOAD: AVG 0.195243 MAX 0.215172 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.328 MB LDB: ============== END OF LOAD BALANCING =============== 3645.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3645.41 PRESSURE: 1164400 39.8265 117.788 100.633 117.789 62.7318 50.3441 100.633 50.3453 196.194 GPRESSURE: 1164400 78.6333 55.1294 80.1093 259.948 83.7899 50.9171 49.2256 62.3512 216.104 PRESSAVG: 1164400 -3.92796 14.1911 1.89053 14.1912 -2.65342 -18.9589 1.89059 -18.9589 -8.55399 GPRESSAVG: 1164400 -4.07582 10.6988 0.956165 17.3609 -1.76821 -18.2621 0.810975 -20.7557 -9.0654 TIMING: 1164400 CPU: 3633.24, 0.00321046/step Wall: 3633.24, 0.00321046/step, 3.42057 hours remaining, 235.074219 MB of memory in use. ENERGY: 1164400 4037.4751 20649.1080 14483.4135 231.5412 -203245.0625 2642.3966 0.0000 0.0000 51917.2439 -109283.8842 298.3691 -161201.1280 -108917.0580 298.9254 99.5841 126.1757 764914.2450 -5.0451 -4.9698 PRESSURE: 1164600 167.686 -7.36098 -78.0219 -7.36112 -10.4852 179.809 -78.0214 179.81 191.319 GPRESSURE: 1164600 200.122 -7.92694 -100.249 63.0198 20.8311 158.57 -30.7206 131.828 200.005 PRESSAVG: 1164600 14.6062 -49.8777 21.2999 -49.8777 -20.3847 -42.7238 21.3 -42.7239 3.63964 GPRESSAVG: 1164600 14.6297 -48.1916 21.3948 -51.0435 -20.2795 -43.6034 21.5873 -40.3312 3.6821 TIMING: 1164600 CPU: 3633.87, 0.00313698/step Wall: 3633.87, 0.00313698/step, 3.3421 hours remaining, 235.074219 MB of memory in use. ENERGY: 1164600 3977.2912 20542.7300 14490.4664 251.8199 -203939.0260 2929.7950 0.0000 0.0000 52315.3370 -109431.5866 300.6570 -161746.9236 -109060.0029 299.4988 116.1732 140.3193 763260.7120 -0.7129 -0.6559 PRESSURE: 1164800 102.524 253.473 -87.0898 253.473 -163.674 106.392 -87.0909 106.392 -66.1458 GPRESSURE: 1164800 70.4657 110.758 -162.173 283.949 -143.147 89.7719 22.5994 93.2028 1.30446 PRESSAVG: 1164800 11.498 -8.38473 -13.6538 -8.3847 -47.9561 2.19972 -13.6538 2.19977 -6.18015 GPRESSAVG: 1164800 10.875 -8.26691 -14.2864 -6.72464 -48.1779 1.20646 -12.4105 2.10485 -5.23355 TIMING: 1164800 CPU: 3634.49, 0.00312537/step Wall: 3634.49, 0.00312537/step, 3.32956 hours remaining, 235.074219 MB of memory in use. ENERGY: 1164800 4101.3371 20713.2828 14481.3285 256.8981 -203606.7069 3036.9871 0.0000 0.0000 51700.5827 -109316.2905 297.1240 -161016.8733 -108951.8906 299.2195 -42.4320 -23.7924 763807.2764 -14.2128 -14.1788 PRESSURE: 1165000 -20.0979 70.2224 -3.20279 70.2228 -109.442 -47.6287 -3.20257 -47.6278 -24.668 GPRESSURE: 1165000 -21.2997 106.099 -15.6745 -52.9177 -85.0119 7.6497 -97.3519 -67.769 28.96 PRESSAVG: 1165000 -0.825717 11.04 9.15795 11.0399 -0.396914 -15.7859 9.15789 -15.7859 -6.21374 GPRESSAVG: 1165000 -0.81906 11.5663 9.24029 9.92395 -1.11193 -14.3669 9.75218 -17.6257 -5.8732 TIMING: 1165000 CPU: 3635.12, 0.00312245/step Wall: 3635.12, 0.00312245/step, 3.32627 hours remaining, 235.074219 MB of memory in use. ENERGY: 1165000 4024.1454 20654.9195 14460.2055 247.3166 -203361.5085 2799.0795 0.0000 0.0000 52018.6907 -109157.1513 298.9521 -161175.8420 -108783.7193 299.0606 -51.4027 -25.7839 762607.0839 -2.4788 -2.6014 PRESSURE: 1165200 -214.626 168.112 112.38 168.112 -146.187 111.558 112.381 111.558 -165.694 GPRESSURE: 1165200 -82.2076 170.457 75.5262 215.359 -117.923 109.972 64.9419 63.1301 -228.339 PRESSAVG: 1165200 -5.55777 -30.3845 42.3279 -30.3846 -7.44609 -21.6016 42.3279 -21.6015 -5.46084 GPRESSAVG: 1165200 -5.14984 -31.1314 43.7055 -31.4173 -7.41425 -22.993 40.3905 -20.443 -6.31524 TIMING: 1165200 CPU: 3635.74, 0.00311659/step Wall: 3635.74, 0.00311659/step, 3.31986 hours remaining, 235.074219 MB of memory in use. ENERGY: 1165200 3971.3179 20604.1521 14455.4676 246.8246 -203431.1343 2706.9792 0.0000 0.0000 52161.7058 -109284.6871 299.7740 -161446.3929 -108919.1221 299.0383 -175.5024 -142.8233 762687.6961 -6.1549 -6.2931 PRESSURE: 1165400 68.2985 -12.6234 -5.30233 -12.6235 128.488 -125.934 -5.3026 -125.935 352.43 GPRESSURE: 1165400 69.9909 27.7765 16.9632 -100.138 202.411 -130.968 3.82511 -85.7047 340.158 PRESSAVG: 1165400 29.5207 -29.0687 -14.4305 -29.0687 -14.8568 34.711 -14.4305 34.7111 -8.37639 GPRESSAVG: 1165400 30.4276 -28.3138 -14.1101 -29.7651 -16.4893 35.4946 -12.7947 34.9673 -7.5583 TIMING: 1165400 CPU: 3636.37, 0.00312718/step Wall: 3636.37, 0.00312718/step, 3.33096 hours remaining, 235.074219 MB of memory in use. ENERGY: 1165400 3948.5966 20525.7899 14411.1120 257.0715 -203547.8305 3083.4261 0.0000 0.0000 52162.7641 -109159.0702 299.7801 -161321.8344 -108798.1560 299.3521 183.0724 204.1867 763093.1899 2.0959 2.1267 PRESSURE: 1165600 -46.4847 -61.7213 16.4986 -61.7215 -15.3373 -10.774 16.4978 -10.7736 239.122 GPRESSURE: 1165600 -87.0537 -33.6925 36.5821 -24.3 -28.8061 32.6779 36.9477 -131.961 379.478 PRESSAVG: 1165600 20.4149 -46.2664 -27.8005 -46.2664 -16.8462 -34.2737 -27.8005 -34.2736 31.3871 GPRESSAVG: 1165600 21.8046 -45.8408 -28.5576 -43.4693 -17.1898 -32.8685 -28.8053 -34.7953 30.6482 TIMING: 1165600 CPU: 3636.99, 0.00311886/step Wall: 3636.99, 0.00311886/step, 3.32193 hours remaining, 235.074219 MB of memory in use. ENERGY: 1165600 4078.2383 20521.3366 14451.1977 243.1487 -203385.8663 2882.3202 0.0000 0.0000 51965.5521 -109244.0727 298.6467 -161209.6248 -108883.5893 299.4052 59.1001 87.8726 764328.0025 11.6519 11.7543 PRESSURE: 1165800 467.703 6.41881 74.2561 6.41896 -55.5629 219.354 74.2551 219.355 303.703 GPRESSURE: 1165800 434.444 -33.9434 3.03625 -43.3511 34.6142 217.434 207.799 268.881 343.834 PRESSAVG: 1165800 9.91448 -5.64914 -16.0065 -5.64923 -22.8422 1.69667 -16.0065 1.6966 -18.9462 GPRESSAVG: 1165800 9.13694 -6.03572 -15.978 -6.2304 -22.0136 0.344206 -14.471 3.74395 -19.0869 TIMING: 1165800 CPU: 3637.61, 0.00310568/step Wall: 3637.61, 0.00310568/step, 3.30772 hours remaining, 235.074219 MB of memory in use. ENERGY: 1165800 3963.7262 20661.2666 14354.9722 244.9572 -203571.0707 2888.1989 0.0000 0.0000 52129.3679 -109328.5818 299.5882 -161457.9497 -108970.2974 299.1542 238.6141 270.9640 762155.1847 -10.6246 -10.6545 PRESSURE: 1166000 -64.6008 -146.287 176.395 -146.287 -402.531 26.816 176.394 26.8152 110.771 GPRESSURE: 1166000 -34.0625 -167.164 126.317 -137.66 -403.779 53.6063 283.81 33.9204 151.832 PRESSAVG: 1166000 14.6516 -65.7399 -19.5498 -65.7399 -44.9604 29.9413 -19.5497 29.9412 0.411755 GPRESSAVG: 1166000 14.2174 -65.6121 -21.2185 -65.0013 -45.1348 30.9106 -18.2468 27.3086 0.106847 TIMING: 1166000 CPU: 3638.23, 0.00310982/step Wall: 3638.23, 0.00310982/step, 3.31195 hours remaining, 235.074219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1166000 3989.1254 20604.7703 14468.7721 237.4514 -203570.2713 2811.2090 0.0000 0.0000 51944.3829 -109514.5603 298.5251 -161458.9432 -109145.8110 298.6177 -118.7870 -95.3367 761554.4329 -9.9657 -10.2702 PRESSURE: 1166200 184.832 170.428 161.393 170.428 -35.3477 44.4308 161.394 44.4312 -91.2015 GPRESSURE: 1166200 148.093 126.61 182.38 78.7356 52.6216 23.4262 137.907 1.27077 -62.1961 PRESSAVG: 1166200 44.2172 13.8671 -6.32859 13.8671 -14.8269 -16.4513 -6.32858 -16.4513 -8.28415 GPRESSAVG: 1166200 44.0697 13.0913 -5.43067 11.5904 -14.9083 -16.6898 -7.92623 -17.9329 -7.97757 TIMING: 1166200 CPU: 3638.85, 0.00310713/step Wall: 3638.85, 0.00310713/step, 3.30892 hours remaining, 235.074219 MB of memory in use. ENERGY: 1166200 3999.3977 20542.3221 14447.5587 246.2822 -203247.0214 2684.4091 0.0000 0.0000 51856.6304 -109470.4213 298.0208 -161327.0517 -109101.1843 298.6457 19.4274 46.1728 760685.1792 7.0354 7.0613 PRESSURE: 1166400 39.472 -108.042 -20.4513 -108.042 -321.444 348.076 -20.4508 348.075 -396.333 GPRESSURE: 1166400 30.2534 -91.895 64.096 -214.522 -292.566 256.354 -183.914 360.939 -354.603 PRESSAVG: 1166400 19.7608 21.0439 17.3817 21.0439 -8.48124 31.0319 17.3816 31.032 16.264 GPRESSAVG: 1166400 18.8056 22.0975 17.3037 21.5891 -7.19637 30.0055 16.4464 33.6015 15.3943 TIMING: 1166400 CPU: 3639.48, 0.00310962/step Wall: 3639.48, 0.00310962/step, 3.3114 hours remaining, 235.074219 MB of memory in use. ENERGY: 1166400 3986.8039 20565.7185 14456.8244 270.6305 -204047.0186 3012.5468 0.0000 0.0000 52056.3601 -109698.1344 299.1686 -161754.4945 -109333.1526 298.8261 -226.1015 -205.6385 760986.2701 9.1812 9.0012 PRESSURE: 1166600 50.7584 -89.4014 61.6641 -89.4005 252.056 136.019 61.665 136.018 -109.66 GPRESSURE: 1166600 107.865 -55.3999 68.3362 -98.2861 288.366 177.897 93.3607 82.605 -100.518 PRESSAVG: 1166600 21.704 50.0924 16.1632 50.0925 -24.7814 9.08249 16.1631 9.08246 -13.5237 GPRESSAVG: 1166600 23.1255 49.2433 16.0376 53.0182 -26.0797 10.4383 16.7415 8.03209 -13.3414 TIMING: 1166600 CPU: 3640.1, 0.00311078/step Wall: 3640.1, 0.00311078/step, 3.31246 hours remaining, 235.074219 MB of memory in use. ENERGY: 1166600 3991.9359 20553.7698 14497.9908 257.5733 -203740.9837 2963.3645 0.0000 0.0000 52008.7486 -109467.6007 298.8950 -161476.3493 -109107.4366 299.0493 64.3850 98.5709 761431.8629 -5.5337 -5.4319 PRESSURE: 1166800 -106.112 170.341 84.7315 170.342 148.227 -209.533 84.7315 -209.533 -59.9987 GPRESSURE: 1166800 0.427262 139.495 109.547 153.817 162.953 -211.277 97.0309 -169.423 -81.8715 PRESSAVG: 1166800 -18.2316 7.57596 40.1204 7.57595 34.4138 -35.3458 40.1204 -35.3457 3.83445 GPRESSAVG: 1166800 -19.1778 7.57007 40.6661 5.7473 35.2061 -34.8809 41.2997 -34.8231 3.61085 TIMING: 1166800 CPU: 3640.72, 0.00311197/step Wall: 3640.72, 0.00311197/step, 3.31356 hours remaining, 235.074219 MB of memory in use. ENERGY: 1166800 3955.6659 20613.5460 14475.2444 250.2111 -203590.3080 2958.6812 0.0000 0.0000 52057.5362 -109279.4233 299.1754 -161336.9595 -108919.1033 299.3215 -5.9612 27.1694 762921.0155 6.6722 6.5464 PRESSURE: 1167000 156.821 -19.9082 67.0687 -19.9078 -150.302 -150.465 67.0687 -150.465 -32.2496 GPRESSURE: 1167000 247.944 28.3803 20.6368 -78.2959 -132.613 -118.726 42.9196 -258.855 -52.675 PRESSAVG: 1167000 17.9608 12.9056 27.5116 12.9056 -39.621 3.68047 27.5116 3.68044 -20.576 GPRESSAVG: 1167000 16.8797 12.6349 27.9369 12.7144 -39.2781 0.786662 28.7514 4.21001 -20.3165 TIMING: 1167000 CPU: 3641.34, 0.00311368/step Wall: 3641.34, 0.00311368/step, 3.31521 hours remaining, 235.074219 MB of memory in use. ENERGY: 1167000 3939.2750 20625.7536 14532.9008 246.4532 -203259.4628 2781.7931 0.0000 0.0000 51971.5678 -109161.7193 298.6813 -161133.2871 -108804.0590 299.1491 -8.5770 20.8853 763184.9132 -14.0787 -14.2383 PRESSURE: 1167200 -452.827 264.756 -209.508 264.756 -323.086 27.0711 -209.508 27.0707 -85.5732 GPRESSURE: 1167200 -467.403 199.665 -175.556 226.781 -288.147 38.1212 -147.028 37.1236 -38.3487 PRESSAVG: 1167200 -58.285 16.289 23.7568 16.2889 44.1741 2.71468 23.7567 2.71472 7.03112 GPRESSAVG: 1167200 -55.9805 18.5453 24.7624 14.1662 42.5342 3.64743 20.7387 1.1695 6.64674 TIMING: 1167200 CPU: 3641.96, 0.00310769/step Wall: 3641.96, 0.00310769/step, 3.30865 hours remaining, 235.074219 MB of memory in use. ENERGY: 1167200 3999.6311 20545.1616 14437.9110 247.2084 -202869.0636 2377.0188 0.0000 0.0000 52173.6791 -109088.4536 299.8429 -161262.1327 -108715.7483 299.5052 -287.1623 -264.6327 763503.2786 -2.3599 -2.2665 PRESSURE: 1167400 -101.149 63.0267 -474.236 63.0261 241.517 102.99 -474.234 102.99 351.755 GPRESSURE: 1167400 -123.936 61.0856 -463.566 23.3196 318.927 129.156 -468.509 20.2644 383.793 PRESSAVG: 1167400 -62.5232 41.8497 12.538 41.8498 56.741 -4.75204 12.5379 -4.75208 8.18862 GPRESSAVG: 1167400 -64.6082 40.1629 11.3659 42.8882 58.0633 -4.56992 15.5341 -4.94738 8.86466 TIMING: 1167400 CPU: 3642.59, 0.00310713/step Wall: 3642.59, 0.00310713/step, 3.30789 hours remaining, 235.074219 MB of memory in use. ENERGY: 1167400 4037.9678 20635.1613 14557.9347 246.9828 -203727.0550 3095.4172 0.0000 0.0000 52052.3805 -109101.2106 299.1457 -161153.5911 -108736.8979 299.5100 164.0412 192.9278 762971.3738 0.8021 0.7733 PRESSURE: 1167600 106.678 -171.33 177.819 -171.33 114.582 -247.896 177.82 -247.896 -274.017 GPRESSURE: 1167600 164.482 -141.418 177.795 -158.809 156.132 -181.153 136.404 -197.986 -295.27 PRESSAVG: 1167600 1.96316 46.6402 17.2151 46.6403 -10.0011 53.3828 17.2151 53.3827 2.84852 GPRESSAVG: 1167600 2.016 46.1706 17.8306 49.3517 -8.62948 54.0997 13.6991 55.0448 1.78339 TIMING: 1167600 CPU: 3643.21, 0.00312015/step Wall: 3643.21, 0.00312015/step, 3.32157 hours remaining, 235.074219 MB of memory in use. ENERGY: 1167600 3981.7173 20523.4769 14521.1197 256.2064 -203074.9653 2704.9348 0.0000 0.0000 52062.7182 -109024.7921 299.2052 -161087.5103 -108659.0965 299.1853 -17.5858 8.4482 764365.1203 -1.7298 -1.6100 PRESSURE: 1167800 30.7485 -63.3452 -110.51 -63.3453 -194.151 181.234 -110.51 181.233 -465.436 GPRESSURE: 1167800 -14.2756 27.2809 -118.611 12.1031 -153.292 121.88 -79.5531 213.927 -401.52 PRESSAVG: 1167800 17.7247 -26.9917 -30.6652 -26.9917 23.1238 28.3555 -30.6653 28.3555 8.81057 GPRESSAVG: 1167800 18.182 -25.7175 -31.8684 -30.3294 20.8499 27.0701 -29.3852 27.722 9.72764 TIMING: 1167800 CPU: 3643.83, 0.0031114/step Wall: 3643.83, 0.0031114/step, 3.31209 hours remaining, 235.074219 MB of memory in use. ENERGY: 1167800 4055.7444 20572.3174 14502.6141 246.6927 -203556.6839 3107.3902 0.0000 0.0000 51921.6727 -109150.2525 298.3946 -161071.9252 -108788.2898 299.5160 -209.6127 -189.6957 763845.8281 16.5530 16.2532 PRESSURE: 1168000 -256.991 60.3907 7.4744 60.3914 -68.0131 142.205 7.4737 142.206 -363.199 GPRESSURE: 1168000 -207.214 56.7153 1.28981 96.0157 -58.8418 171.859 -117.113 170.735 -338.866 PRESSAVG: 1168000 49.4933 40.5702 -13.8892 40.5703 -18.3687 25.6029 -13.8892 25.6029 -0.818161 GPRESSAVG: 1168000 49.3761 39.4994 -14.1925 41.5427 -16.9928 25.1621 -12.7303 27.3186 -1.15894 TIMING: 1168000 CPU: 3644.45, 0.00311012/step Wall: 3644.45, 0.00311012/step, 3.31055 hours remaining, 235.074219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1168000 4053.1783 20577.8632 14535.9553 245.8537 -203547.0681 2867.4501 0.0000 0.0000 52088.2928 -109178.4747 299.3521 -161266.7675 -108818.1336 299.7126 -229.4011 -201.6408 762721.4651 10.1022 10.4081 PRESSURE: 1168200 22.8402 48.9017 -45.0793 48.9009 -189.268 217.881 -45.0785 217.881 38.1064 GPRESSURE: 1168200 109.95 135.919 -7.77316 -45.2128 -162.554 146.298 -50.6704 121.24 -4.22021 PRESSAVG: 1168200 -40.3185 -27.7736 -15.2758 -27.7736 7.20717 -41.9565 -15.2757 -41.9566 -23.8904 GPRESSAVG: 1168200 -38.9714 -26.0088 -13.8186 -26.8714 6.60537 -40.2586 -16.5055 -44.4619 -24.5665 TIMING: 1168200 CPU: 3645.08, 0.00312106/step Wall: 3645.08, 0.00312106/step, 3.32202 hours remaining, 235.074219 MB of memory in use. ENERGY: 1168200 4009.1002 20467.8517 14481.0914 241.4910 -203041.9764 2598.9267 0.0000 0.0000 52018.3935 -109225.1219 298.9504 -161243.5154 -108858.3637 299.1823 -42.7738 -18.9415 763370.0204 -19.0006 -18.9775 LDB: ============= START OF LOAD BALANCING ============== 3657.56 LDB: ============== END OF LOAD BALANCING =============== 3657.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3657.56 LDB: ============= START OF LOAD BALANCING ============== 3657.87 LDB: Largest compute 7021 load 0.031365 is 16.1% of average load 0.195008 LDB: Average compute 0.004393 is 2.3% of average load 0.195008 LDB: TIME 3657.87 LOAD: AVG 0.195008 MAX 0.215804 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.027 MB LDB: TIME 3657.87 LOAD: AVG 0.195008 MAX 0.215804 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.031 MB LDB: TIME 3657.87 LOAD: AVG 0.195008 MAX 0.215804 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.031 MB LDB: ============== END OF LOAD BALANCING =============== 3657.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3657.88 PRESSURE: 1168400 28.5333 84.7527 16.7277 84.753 132.026 127.489 16.7282 127.489 287.868 GPRESSURE: 1168400 140.122 140.308 1.91657 130.572 122.375 119.501 55.7271 91.8712 264.418 PRESSAVG: 1168400 3.21127 -12.1707 -20.2952 -12.1707 -42.8771 -42.6277 -20.2952 -42.6278 3.04743 GPRESSAVG: 1168400 3.03079 -13.1781 -21.0828 -12.9708 -43.695 -43.3074 -20.0246 -41.8961 3.63068 TIMING: 1168400 CPU: 3645.72, 0.00318619/step Wall: 3645.72, 0.00318619/step, 3.39117 hours remaining, 235.082031 MB of memory in use. ENERGY: 1168400 3916.8743 20534.0285 14439.9905 255.2135 -203290.6707 2919.3274 0.0000 0.0000 52099.1446 -109126.0919 299.4145 -161225.2365 -108769.2749 298.7240 149.4756 175.6385 764741.3548 -12.2061 -12.3445 PRESSURE: 1168600 -349.433 164.052 -358.218 164.052 -92.2007 -66.5876 -358.218 -66.5887 -256.51 GPRESSURE: 1168600 -333.402 133.13 -334.801 123.269 -117.893 -125.525 -314.221 69.9301 -158.627 PRESSAVG: 1168600 7.19115 1.5166 -17.9478 1.51658 -5.48707 -0.987212 -17.9477 -0.987194 -8.7498 GPRESSAVG: 1168600 6.59935 1.36131 -17.1265 4.00779 -4.3565 -2.00814 -17.1838 -2.19696 -9.25275 TIMING: 1168600 CPU: 3646.34, 0.00312591/step Wall: 3646.34, 0.00312591/step, 3.32684 hours remaining, 235.082031 MB of memory in use. ENERGY: 1168600 4024.9834 20531.9824 14500.5126 249.0839 -203101.8975 2706.4258 0.0000 0.0000 51727.2335 -109361.6757 297.2771 -161088.9093 -108997.8485 298.6366 -232.7143 -203.3071 763958.2539 -2.3486 -2.3366 PRESSURE: 1168800 218.569 -201.243 -56.6449 -201.243 -175.205 50.4583 -56.645 50.4584 311.833 GPRESSURE: 1168800 284.22 -201.569 -46.623 -198.884 -102.368 54.913 -42.7353 50.9341 261.029 PRESSAVG: 1168800 4.66271 -0.745655 41.7392 -0.745602 -33.351 -61.412 41.7392 -61.412 5.47815 GPRESSAVG: 1168800 4.2834 -0.469675 42.3443 -1.93494 -33.8407 -60.2591 40.7763 -60.1655 6.42192 TIMING: 1168800 CPU: 3646.97, 0.00312342/step Wall: 3646.97, 0.00312342/step, 3.32402 hours remaining, 235.082031 MB of memory in use. ENERGY: 1168800 3912.4118 20534.0008 14418.0783 237.6475 -203399.8536 2834.4129 0.0000 0.0000 52149.2553 -109314.0469 299.7025 -161463.3022 -108950.7089 298.3339 118.3990 147.6271 762221.1397 -7.7367 -7.7118 PRESSURE: 1169000 -66.2146 119.681 -37.7991 119.68 -467.597 -29.1889 -37.7993 -29.1898 254.206 GPRESSURE: 1169000 -32.6898 104.568 -32.2279 136.829 -418.636 -14.759 -108.301 -52.3333 257.59 PRESSAVG: 1169000 15.9451 41.7647 33.6624 41.7647 -60.1929 -8.017 33.6624 -8.01703 1.62455 GPRESSAVG: 1169000 17.458 42.5089 33.2916 41.788 -60.9005 -7.55718 33.377 -7.622 0.91025 TIMING: 1169000 CPU: 3647.59, 0.00313048/step Wall: 3647.59, 0.00313048/step, 3.33135 hours remaining, 235.082031 MB of memory in use. ENERGY: 1169000 3977.8024 20625.8319 14556.9281 262.0331 -203450.4140 2652.4821 0.0000 0.0000 52353.6196 -109021.7167 300.8770 -161375.3363 -108663.8186 299.1233 -93.2021 -64.5786 762805.5422 -14.2078 -14.1774 PRESSURE: 1169200 310.971 224.309 -102.872 224.309 -192.114 73.5013 -102.871 73.5012 -157.314 GPRESSURE: 1169200 251.66 124.589 -193.491 181.824 -127.33 39.2895 -119.017 -34.4295 -74.9213 PRESSAVG: 1169200 34.1072 -16.5059 19.0412 -16.5059 -33.5269 -14.0538 19.0412 -14.0539 -5.67137 GPRESSAVG: 1169200 34.2084 -16.6918 19.44 -16.4616 -33.8222 -13.9114 19.1628 -14.5236 -6.00538 TIMING: 1169200 CPU: 3648.22, 0.00312503/step Wall: 3648.22, 0.00312502/step, 3.32537 hours remaining, 235.082031 MB of memory in use. ENERGY: 1169200 3975.9684 20491.8580 14379.6446 247.8825 -202959.9189 2634.5785 0.0000 0.0000 52174.9152 -109055.0717 299.8500 -161229.9869 -108686.0369 299.5711 -12.8189 16.4698 762736.0271 -1.6970 -1.8731 PRESSURE: 1169400 44.0472 105.943 -54.049 105.943 321.112 33.2066 -54.0485 33.206 330.545 GPRESSURE: 1169400 62.2337 49.0906 13.4244 28.1421 429.961 28.2988 25.4557 46.7163 288.227 PRESSAVG: 1169400 56.8268 48.7089 -14.9799 48.7088 -42.1357 13.8572 -14.9799 13.8571 8.21383 GPRESSAVG: 1169400 54.6846 47.6436 -16.9594 49.8703 -40.0939 13.692 -14.1169 16.0077 8.07772 TIMING: 1169400 CPU: 3648.84, 0.00312017/step Wall: 3648.84, 0.00312017/step, 3.32004 hours remaining, 235.082031 MB of memory in use. ENERGY: 1169400 3952.1932 20549.3266 14418.1630 242.9581 -202963.8417 2892.5034 0.0000 0.0000 52027.1343 -108881.5631 299.0007 -160908.6974 -108523.8780 299.2630 231.9012 260.1405 761518.4414 7.6350 7.5561 PRESSURE: 1169600 99.8674 -142.328 180.648 -142.327 69.2635 2.54505 180.648 2.54549 160.372 GPRESSURE: 1169600 169.59 -181.973 212.031 -19.4909 136.541 31.451 63.8412 -145.32 112.494 PRESSAVG: 1169600 13.6449 -1.89538 23.9345 -1.89528 -48.2692 -24.8211 23.9346 -24.8212 -16.3623 GPRESSAVG: 1169600 12.9881 -0.654746 23.7367 -3.69135 -48.4713 -25.292 21.4524 -27.1674 -15.331 TIMING: 1169600 CPU: 3649.46, 0.00312223/step Wall: 3649.46, 0.00312222/step, 3.32205 hours remaining, 235.082031 MB of memory in use. ENERGY: 1169600 3957.0741 20605.9562 14522.0180 243.3201 -203178.7739 2839.0346 0.0000 0.0000 52051.5490 -108959.8220 299.1410 -161011.3710 -108601.4129 299.2638 109.8344 139.5418 760768.9952 -16.9955 -16.9381 PRESSURE: 1169800 -34.1922 -118.322 108.532 -118.322 56.5728 -68.3645 108.532 -68.3636 -513.206 GPRESSURE: 1169800 83.1185 15.4499 110.164 -103.093 -72.5877 21.6044 13.3151 -175.257 -414.186 PRESSAVG: 1169800 4.77568 27.6463 68.0373 27.6463 8.71763 3.85253 68.0374 3.85259 -13.0462 GPRESSAVG: 1169800 6.08901 27.6996 69.6649 26.5055 7.88152 4.04233 68.4815 5.60963 -13.1737 TIMING: 1169800 CPU: 3650.09, 0.00312338/step Wall: 3650.09, 0.00312338/step, 3.32311 hours remaining, 235.082031 MB of memory in use. ENERGY: 1169800 4052.1861 20444.9846 14464.1640 233.7928 -202795.9409 2491.2022 0.0000 0.0000 52215.0712 -108894.5400 300.0807 -161109.6113 -108532.9399 299.6165 -163.6085 -134.5518 763991.5454 0.1490 0.2656 PRESSURE: 1170000 -276.896 -243.688 77.3538 -243.688 83.6544 -245.013 77.3536 -245.013 162.806 GPRESSURE: 1170000 -209.542 -135.095 -17.6029 -290.863 153.02 -253.813 141.006 -84.6961 115.112 PRESSAVG: 1170000 -14.3062 -5.71969 14.1855 -5.71967 17.463 -26.6947 14.1854 -26.6946 7.74196 GPRESSAVG: 1170000 -14.774 -5.73283 13.2912 -4.89697 17.8157 -27.092 14.1848 -25.7425 7.45876 TIMING: 1170000 CPU: 3650.71, 0.00312235/step Wall: 3650.71, 0.00312235/step, 3.32183 hours remaining, 235.082031 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: 1170000 4008.5867 20707.2515 14443.7217 228.0284 -203016.8067 2836.2285 0.0000 0.0000 52145.1440 -108647.8459 299.6789 -160792.9899 -108286.5403 300.0686 -10.1453 19.5302 762665.0450 3.6329 3.5002 PRESSURE: 1170200 -276.255 -18.9768 62.0146 -18.9776 123.318 73.4406 62.0147 73.4401 -289.651 GPRESSURE: 1170200 -237.621 -21.1238 77.3705 -41.8093 220.83 -7.27978 119.138 10.5229 -340.154 PRESSAVG: 1170200 24.2928 -40.5592 -55.2473 -40.5592 5.9966 10.8708 -55.2473 10.8707 -5.19865 GPRESSAVG: 1170200 26.4131 -41.0715 -55.0086 -39.9309 5.49131 10.7642 -54.4776 9.90034 -6.19449 TIMING: 1170200 CPU: 3651.34, 0.00311049/step Wall: 3651.34, 0.00311049/step, 3.30904 hours remaining, 235.082031 MB of memory in use. ENERGY: 1170200 3957.2578 20538.4513 14468.7012 253.7139 -202785.5941 2603.5239 0.0000 0.0000 52106.8481 -108857.0978 299.4588 -160963.9459 -108484.2269 299.9957 -147.5296 -118.9816 762864.6445 8.3636 8.5700 PRESSURE: 1170400 -102.799 -67.4166 171.896 -67.4172 -374.396 1.49146 171.895 1.49126 -35.9967 GPRESSURE: 1170400 -116.548 63.0488 122.537 -143.237 -235.188 -68.411 73.037 21.7724 -73.5846 PRESSAVG: 1170400 -20.3782 -2.93377 41.6114 -2.93374 3.98035 -5.90123 41.6115 -5.90115 -18.684 GPRESSAVG: 1170400 -21.0742 -1.4804 41.3554 -5.58663 4.7235 -4.84146 41.5322 -6.13097 -17.7663 TIMING: 1170400 CPU: 3651.96, 0.0031209/step Wall: 3651.96, 0.0031209/step, 3.31995 hours remaining, 235.082031 MB of memory in use. ENERGY: 1170400 3983.3558 20547.4887 14493.1570 248.2176 -202801.0262 2546.9332 0.0000 0.0000 52361.6009 -108620.2728 300.9228 -160981.8738 -108256.0277 299.8995 -171.0639 -141.7736 763301.9598 -11.6939 -11.3723 PRESSURE: 1170600 256.585 119.388 249.687 119.389 355.466 -119.236 249.688 -119.236 304.436 GPRESSURE: 1170600 281.383 67.0794 131.243 105.931 413.93 -118.783 236.966 -123.699 321.139 PRESSAVG: 1170600 29.7394 -9.34813 13.6776 -9.34812 -17.2897 -12.008 13.6775 -12.0081 -4.30187 GPRESSAVG: 1170600 30.1914 -10.6679 14.4797 -6.87938 -16.3944 -12.6599 13.5353 -11.796 -4.72422 TIMING: 1170600 CPU: 3652.59, 0.0031365/step Wall: 3652.59, 0.0031365/step, 3.33637 hours remaining, 235.082031 MB of memory in use. ENERGY: 1170600 4028.4403 20599.1911 14343.3863 255.6106 -202948.0779 2789.8541 0.0000 0.0000 52310.8956 -108620.6998 300.6314 -160931.5954 -108261.6903 300.4162 305.4956 338.8173 762093.4364 2.7160 3.0243 PRESSURE: 1170800 34.9865 155.687 -82.577 155.686 80.7589 -366.081 -82.5762 -366.081 -140.525 GPRESSURE: 1170800 57.8612 161.517 -49.3034 232.765 63.9033 -313.427 -134.95 -232.629 -89.5177 PRESSAVG: 1170800 -42.4 -33.6354 -13.8851 -33.6354 42.3009 -8.78194 -13.8851 -8.78187 1.45282 GPRESSAVG: 1170800 -44.4584 -34.12 -14.1586 -33.1254 42.0144 -8.96753 -13.9193 -7.52025 3.67449 TIMING: 1170800 CPU: 3653.21, 0.00313163/step Wall: 3653.21, 0.00313163/step, 3.33102 hours remaining, 235.082031 MB of memory in use. ENERGY: 1170800 4011.4475 20614.7984 14384.4345 240.3270 -203109.8445 2986.2699 0.0000 0.0000 52145.0974 -108727.4698 299.6786 -160872.5672 -108371.7212 300.2034 -8.2600 10.7489 764448.8010 0.4512 0.4102 PRESSURE: 1171000 -18.3273 -33.3663 279.18 -33.3658 -199.513 -9.47551 279.181 -9.47499 -198.293 GPRESSURE: 1171000 16.5521 -7.08845 284.238 12.4101 -91.0951 -20.319 251.463 -34.0577 -252.741 PRESSAVG: 1171000 4.93195 2.08447 30.3868 2.08445 -26.7665 3.66902 30.3868 3.66897 15.3921 GPRESSAVG: 1171000 5.66991 1.96622 30.314 1.58459 -26.5342 4.39494 33.239 0.596763 14.3975 TIMING: 1171000 CPU: 3653.84, 0.00313072/step Wall: 3653.84, 0.00313072/step, 3.32986 hours remaining, 235.082031 MB of memory in use. ENERGY: 1171000 3921.3074 20347.1966 14504.4028 265.0301 -202739.4723 2444.4570 0.0000 0.0000 52130.1578 -109126.9207 299.5927 -161257.0785 -108755.3406 299.4814 -138.7111 -109.0946 764203.1673 -2.1475 -2.1556 PRESSURE: 1171200 457.606 184.162 72.579 184.163 -24.556 65.369 72.58 65.369 277.916 GPRESSURE: 1171200 424.846 120.02 108.842 94.3797 89.5013 48.4126 38.8799 86.5853 267.948 PRESSAVG: 1171200 -14.0406 -26.8842 -4.45448 -26.8841 35.0844 15.6511 -4.45452 15.6511 -3.73725 GPRESSAVG: 1171200 -14.1121 -26.0585 -4.81587 -27.5804 34.5369 14.976 -6.09435 15.887 -3.63579 TIMING: 1171200 CPU: 3654.47, 0.00313504/step Wall: 3654.47, 0.00313504/step, 3.33428 hours remaining, 235.082031 MB of memory in use. ENERGY: 1171200 4044.5495 20533.0352 14320.3063 259.4449 -203381.1920 3101.5321 0.0000 0.0000 51996.2975 -109126.0265 298.8234 -161122.3239 -108773.2506 299.1626 236.9888 260.7652 764205.1911 5.7688 5.5963 PRESSURE: 1171400 -187.599 59.9961 76.828 59.9955 56.8023 -77.3034 76.8285 -77.3025 -101.512 GPRESSURE: 1171400 -160.553 201.849 100.535 127.068 145.33 -15.9622 165.934 -60.6148 -134.415 PRESSAVG: 1171400 -37.4079 -10.9332 12.3286 -10.9332 25.025 -26.9256 12.3286 -26.9256 8.35205 GPRESSAVG: 1171400 -37.6168 -9.9743 12.4378 -12.1327 24.6962 -25.8236 11.3993 -25.3681 8.97232 TIMING: 1171400 CPU: 3655.09, 0.00311813/step Wall: 3655.09, 0.00311813/step, 3.31613 hours remaining, 235.082031 MB of memory in use. ENERGY: 1171400 3975.6698 20451.8680 14402.6407 267.7011 -202957.2671 2643.1923 0.0000 0.0000 52201.2782 -109014.9171 300.0015 -161216.1953 -108653.5582 299.0027 -77.4362 -49.8794 763267.0302 -1.3436 -1.3161 PRESSURE: 1171600 -23.8876 -2.07557 -65.8023 -2.07573 -60.1436 22.408 -65.8029 22.4077 -422.955 GPRESSURE: 1171600 68.2251 -83.0668 -58.5286 -55.2708 -73.1656 55.4126 -96.4112 -57.1124 -417.027 PRESSAVG: 1171600 25.5071 -21.4199 11.0035 -21.4199 20.9738 -16.2087 11.0035 -16.2087 -1.89202 GPRESSAVG: 1171600 26.9144 -22.4103 10.9037 -19.468 20.7596 -15.7103 12.9652 -16.0365 -3.11344 TIMING: 1171600 CPU: 3655.72, 0.00312786/step Wall: 3655.72, 0.00312786/step, 3.32631 hours remaining, 235.082031 MB of memory in use. ENERGY: 1171600 4074.3473 20616.3916 14390.8825 246.8891 -202978.7440 2802.6044 0.0000 0.0000 52108.3729 -108739.2562 299.4675 -160847.6291 -108382.8220 299.3337 -168.9954 -140.6557 765135.7330 14.8630 14.8535 PRESSURE: 1171800 93.4544 -5.01417 -67.6099 -5.01486 13.0872 -84.2413 -67.61 -84.242 352.601 GPRESSURE: 1171800 56.9052 -49.4356 -120.257 52.1471 144.017 -146.188 -94.6582 -157.843 338.23 PRESSAVG: 1171800 -16.8095 -24.5633 3.41295 -24.5634 21.9631 6.63034 3.41297 6.63034 12.3534 GPRESSAVG: 1171800 -17.966 -25.3463 4.02423 -22.674 22.8639 4.20539 2.95626 7.05555 12.7915 TIMING: 1171800 CPU: 3656.34, 0.00314169/step Wall: 3656.34, 0.00314169/step, 3.34084 hours remaining, 235.082031 MB of memory in use. ENERGY: 1171800 3967.8228 20556.3581 14358.6371 254.2814 -203430.5019 2918.5969 0.0000 0.0000 52297.2243 -109077.5813 300.5529 -161374.8055 -108721.8952 299.9870 153.0475 179.7174 764472.2033 5.8357 5.8965 PRESSURE: 1172000 207.764 -102.059 -133.95 -102.059 -74.5816 86.5516 -133.951 86.5515 241.334 GPRESSURE: 1172000 213.85 -32.382 -56.9374 -9.12156 33.4077 116.046 -204.477 36.173 208.651 PRESSAVG: 1172000 37.0634 -3.1372 12.0956 -3.13722 20.6723 8.74574 12.0956 8.7458 -4.3582 GPRESSAVG: 1172000 37.4295 -2.13418 13.0118 -5.50294 19.5699 9.51438 11.2081 6.74319 -3.35172 TIMING: 1172000 CPU: 3656.97, 0.00313319/step Wall: 3656.97, 0.00313319/step, 3.33163 hours remaining, 235.082031 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: 1172000 3890.9303 20664.9945 14455.6615 242.1423 -203177.3789 2835.5117 0.0000 0.0000 51989.1387 -109099.0000 298.7823 -161088.1387 -108742.7485 299.3500 124.8387 151.9695 763669.0186 17.7925 17.8826 PRESSURE: 1172200 -376.205 94.8276 -140.314 94.828 -145.331 0.477737 -140.314 0.477649 -37.6852 GPRESSURE: 1172200 -313.555 162.993 -167.201 60.1702 -82.5823 -24.1272 -105.043 13.9258 -62.1078 PRESSAVG: 1172200 -40.3901 18.5244 -54.1329 18.5245 -22.8229 16.3957 -54.1329 16.3956 10.899 GPRESSAVG: 1172200 -41.1688 20.6274 -55.2326 18.1376 -21.165 18.6212 -54.738 18.2131 9.76421 TIMING: 1172200 CPU: 3657.59, 0.00311438/step Wall: 3657.59, 0.00311438/step, 3.31145 hours remaining, 235.082031 MB of memory in use. ENERGY: 1172200 3984.1893 20604.1484 14491.7621 239.3997 -203162.6110 2675.4351 0.0000 0.0000 52143.3084 -109024.3680 299.6683 -161167.6764 -108662.3102 299.5225 -186.4071 -152.7484 764291.6470 -17.4380 -17.5232 LDB: ============= START OF LOAD BALANCING ============== 3670.07 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3670.07 LDB: =============== DONE WITH MIGRATION ================ 3670.07 LDB: ============= START OF LOAD BALANCING ============== 3670.39 LDB: Largest compute 6985 load 0.030302 is 15.5% of average load 0.195059 LDB: Average compute 0.004381 is 2.2% of average load 0.195059 LDB: TIME 3670.39 LOAD: AVG 0.195059 MAX 0.217099 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.695 MB LDB: TIME 3670.39 LOAD: AVG 0.195059 MAX 0.217099 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.695 MB LDB: TIME 3670.39 LOAD: AVG 0.195059 MAX 0.217099 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.695 MB LDB: ============== END OF LOAD BALANCING =============== 3670.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3670.4 PRESSURE: 1172400 -184.483 159.17 -66.7546 159.171 -100.998 -71.73 -66.7548 -71.73 -368.659 GPRESSURE: 1172400 -151.656 28.3325 -66.5661 188.148 -21.2248 -97.0521 -14.5603 36.1677 -387.155 PRESSAVG: 1172400 -23.2122 -19.2755 -66.3891 -19.2756 23.0513 -56.0004 -66.3891 -56.0005 -11.1607 GPRESSAVG: 1172400 -22.0724 -21.4598 -65.6044 -18.9964 22.5828 -57.571 -64.5157 -56.9311 -11.4688 TIMING: 1172400 CPU: 3658.23, 0.00319385/step Wall: 3658.23, 0.00319385/step, 3.39578 hours remaining, 235.011719 MB of memory in use. ENERGY: 1172400 4036.9049 20520.9769 14465.3809 225.2320 -203214.5735 2749.1149 0.0000 0.0000 52228.2827 -108988.6812 300.1567 -161216.9638 -108618.5879 299.9315 -218.0465 -186.6786 762881.9957 -3.7739 -3.6528 PRESSURE: 1172600 -546.875 -66.9135 205.124 -66.9142 192.049 68.8171 205.124 68.8177 -86.0025 GPRESSURE: 1172600 -353.903 -123.824 178.705 -107.119 102.882 23.8007 122.218 75.8587 -121.864 PRESSAVG: 1172600 -8.93241 -34.016 -53.2111 -34.0161 -20.7454 -24.2635 -53.2111 -24.2635 -13.7589 GPRESSAVG: 1172600 -8.92491 -36.015 -53.9836 -29.8063 -21.5812 -23.8399 -53.1894 -24.7018 -12.9438 TIMING: 1172600 CPU: 3658.85, 0.00310879/step Wall: 3658.85, 0.00310879/step, 3.30516 hours remaining, 235.011719 MB of memory in use. ENERGY: 1172600 4053.9650 20612.0548 14512.8319 252.8769 -203287.4363 2888.6871 0.0000 0.0000 51824.9235 -109142.0970 297.8385 -160967.0205 -108791.2595 299.4676 -146.9430 -124.2951 765124.1183 -14.4789 -14.4833 PRESSURE: 1172800 509.953 91.7063 74.7473 91.706 417.192 91.7635 74.7482 91.763 234.45 GPRESSURE: 1172800 625.879 38.9768 70.5643 65.9355 418.333 38.5511 -49.1213 100.456 189.677 PRESSAVG: 1172800 -50.5063 54.9054 -2.80048 54.9054 37.8505 7.27924 -2.80052 7.27939 -14.9247 GPRESSAVG: 1172800 -50.3147 57.8334 -2.92864 51.8614 37.4657 7.35023 -5.7291 6.37391 -14.8307 TIMING: 1172800 CPU: 3659.48, 0.00312917/step Wall: 3659.48, 0.00312917/step, 3.32666 hours remaining, 235.011719 MB of memory in use. ENERGY: 1172800 3999.0721 20325.6537 14430.9696 258.7637 -203558.8866 3158.6558 0.0000 0.0000 52223.9344 -109161.8372 300.1317 -161385.7716 -108793.6351 299.0812 387.1981 411.2960 763022.2143 -9.1935 -9.2266 PRESSURE: 1173000 -41.2466 -41.7487 -64.0837 -41.7493 150.604 -247.6 -64.0822 -247.6 16.5415 GPRESSURE: 1173000 -34.4037 -93.7989 -50.7457 12.8828 287.497 -218.123 66.8036 -55.8183 -50.7576 PRESSAVG: 1173000 -27.4835 -13.2499 -3.86765 -13.2499 46.8195 17.422 -3.86764 17.4219 10.3596 GPRESSAVG: 1173000 -27.755 -15.9116 -3.72183 -15.1695 47.7996 17.825 -1.78237 18.6157 9.45534 TIMING: 1173000 CPU: 3660.1, 0.00311477/step Wall: 3660.1, 0.00311477/step, 3.31118 hours remaining, 235.011719 MB of memory in use. ENERGY: 1173000 4058.9672 20466.8498 14436.6086 248.3453 -203454.4920 3058.5994 0.0000 0.0000 51994.2002 -109190.9213 298.8114 -161185.1216 -108829.3324 299.1834 41.9664 67.4454 765076.6032 9.8985 9.8333 PRESSURE: 1173200 -127.894 -57.2229 -106.01 -57.2231 -17.1545 -133.23 -106.011 -133.229 32.4318 GPRESSURE: 1173200 -138.892 -89.1904 -113.364 -61.6852 3.35219 8.19418 -56.2826 -90.2731 90.6873 PRESSAVG: 1173200 -61.972 -16.8827 -26.5867 -16.8827 59.6481 14.416 -26.5867 14.4159 -7.7255 GPRESSAVG: 1173200 -62.0377 -16.0657 -26.9471 -14.8571 59.9867 14.3186 -25.8399 14.7278 -8.01357 TIMING: 1173200 CPU: 3660.73, 0.00312122/step Wall: 3660.73, 0.00312122/step, 3.31785 hours remaining, 235.011719 MB of memory in use. ENERGY: 1173200 4031.0140 20567.5096 14467.4058 270.3562 -203781.8581 2885.7187 0.0000 0.0000 52236.9110 -109322.9428 300.2062 -161559.8538 -108967.5624 298.7686 -37.5390 -14.9510 763047.5567 -3.3498 -3.3549 PRESSURE: 1173400 111.778 30.3828 -50.6156 30.382 32.2999 279.749 -50.615 279.749 119.868 GPRESSURE: 1173400 239.476 148.309 -53.9129 78.964 76.124 245.416 -79.3887 153.145 34.1181 PRESSAVG: 1173400 6.58376 -21.581 12.4153 -21.581 -1.02252 -9.26265 12.4153 -9.26258 15.4984 GPRESSAVG: 1173400 7.44327 -18.7636 13.0337 -23.6558 -0.386879 -8.79368 12.6143 -13.185 14.3698 TIMING: 1173400 CPU: 3661.35, 0.00310216/step Wall: 3661.35, 0.00310216/step, 3.29743 hours remaining, 235.011719 MB of memory in use. ENERGY: 1173400 4012.4918 20520.6464 14381.2993 248.4442 -203291.1681 2802.8791 0.0000 0.0000 52018.1107 -109307.2966 298.9488 -161325.4073 -108943.2689 299.1361 87.9819 116.5728 762126.6200 7.0199 7.1421 PRESSURE: 1173600 -30.0854 91.3441 -127.343 91.344 234.792 -184.716 -127.344 -184.716 200.132 GPRESSURE: 1173600 66.1589 36.4075 -134.182 177.826 202.37 -144.674 -118.411 -95.7437 220.751 PRESSAVG: 1173600 -25.9956 -44.2372 71.8468 -44.2372 37.0711 27.8246 71.8468 27.8247 -22.6753 GPRESSAVG: 1173600 -25.9881 -48.336 69.9049 -42.3048 35.2229 27.4637 70.9915 31.4197 -21.3698 TIMING: 1173600 CPU: 3661.97, 0.0031128/step Wall: 3661.97, 0.0031128/step, 3.30856 hours remaining, 235.011719 MB of memory in use. ENERGY: 1173600 4023.4610 20635.6758 14384.8531 238.5311 -203474.6736 2920.7925 0.0000 0.0000 51994.3180 -109277.0420 298.8121 -161271.3600 -108919.7464 298.8390 134.9463 163.0934 762172.1493 -3.8666 -4.0450 PRESSURE: 1173800 121.674 -0.3692 218.586 -0.369397 -355.837 -209.295 218.586 -209.295 45.2047 GPRESSURE: 1173800 159.276 -104.056 172.676 -49.4065 -316.648 -159.959 147.464 -52.1504 38.5679 PRESSAVG: 1173800 -29.9155 13.3334 50.763 13.3334 60.845 5.52464 50.763 5.52451 17.0838 GPRESSAVG: 1173800 -30.3884 14.254 52.1424 13.1053 61.414 4.6457 51.4602 5.12618 17.0777 TIMING: 1173800 CPU: 3662.59, 0.00311847/step Wall: 3662.59, 0.00311847/step, 3.31442 hours remaining, 235.011719 MB of memory in use. ENERGY: 1173800 3931.4937 20573.1865 14495.3646 252.0608 -203025.8204 2620.6967 0.0000 0.0000 51762.5233 -109390.4948 297.4799 -161153.0181 -109028.4001 298.4603 -62.9860 -39.6013 762364.5637 16.0044 16.0344 PRESSURE: 1174000 -127.325 50.7716 -311.815 50.7717 -77.9463 230.672 -311.814 230.673 -338.618 GPRESSURE: 1174000 -163.645 1.52269 -251.091 89.1975 76.5323 181.374 -232.025 165.82 -359.545 PRESSAVG: 1174000 -10.0706 2.04646 3.90401 2.04643 58.2583 94.8235 3.90398 94.8235 5.31231 GPRESSAVG: 1174000 -9.80634 3.38885 3.88955 3.19323 58.4674 95.4778 2.64456 93.0557 5.16583 TIMING: 1174000 CPU: 3663.22, 0.00313453/step Wall: 3663.22, 0.00313453/step, 3.33131 hours remaining, 235.011719 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: 1174000 3978.7857 20617.7654 14385.6339 250.0054 -203612.4355 2852.1929 0.0000 0.0000 52022.3379 -109505.7141 298.9731 -161528.0520 -109146.3675 298.4122 -181.2964 -148.8856 763358.7904 17.8333 17.9423 PRESSURE: 1174200 104.884 157.299 -21.9445 157.299 74.2575 -104.309 -21.9456 -104.309 93.0799 GPRESSURE: 1174200 123.851 59.954 -153.63 128.535 114.21 -156.758 -22.1582 -161.379 93.3542 PRESSAVG: 1174200 66.4194 -13.4418 13.7926 -13.4419 -21.5663 35.2687 13.7925 35.2686 -3.57525 GPRESSAVG: 1174200 65.3689 -14.339 13.7608 -14.6217 -20.6095 36.1665 12.5954 35.4761 -3.55346 TIMING: 1174200 CPU: 3663.85, 0.00312536/step Wall: 3663.85, 0.00312536/step, 3.32139 hours remaining, 235.011719 MB of memory in use. ENERGY: 1174200 3993.4063 20557.9645 14523.1823 244.7942 -203352.7353 2738.3688 0.0000 0.0000 51959.7608 -109335.2583 298.6135 -161295.0191 -108973.5990 298.9496 90.7405 110.4720 763234.9555 13.7593 13.7353 PRESSURE: 1174400 -249.374 61.4311 -82.0811 61.4311 128.804 186.188 -82.0806 186.187 -6.4224 GPRESSURE: 1174400 -126.75 60.0176 -77.2044 -11.9866 123.284 233.375 -85.5416 289.696 -32.8041 PRESSAVG: 1174400 33.3832 -13.3963 4.72943 -13.3963 -10.7272 27.338 4.72945 27.338 -3.35257 GPRESSAVG: 1174400 35.6643 -14.0872 4.91257 -13.2217 -11.8803 26.4985 6.22272 27.1028 -3.84987 TIMING: 1174400 CPU: 3664.47, 0.0031325/step Wall: 3664.47, 0.0031325/step, 3.32881 hours remaining, 235.011719 MB of memory in use. ENERGY: 1174400 3907.8812 20577.0219 14438.6442 245.0955 -203012.3179 2748.8990 0.0000 0.0000 51761.6873 -109333.0887 297.4751 -161094.7760 -108969.5099 298.8732 -42.3311 -12.0901 763682.5601 6.4345 6.6447 PRESSURE: 1174600 -217.751 48.7869 -249.909 48.7871 -218.373 -147.711 -249.909 -147.711 25.3179 GPRESSURE: 1174600 -195.468 67.9993 -232.913 101.902 -147.78 -195.921 -198.527 -88.7365 23.8783 PRESSAVG: 1174600 -21.4317 -13.2026 -41.4855 -13.2026 14.9969 -14.5232 -41.4855 -14.5232 -10.297 GPRESSAVG: 1174600 -21.9457 -12.0318 -40.275 -12.8401 15.6546 -14.4773 -40.9609 -13.7268 -10.1384 TIMING: 1174600 CPU: 3665.1, 0.0031228/step Wall: 3665.1, 0.0031228/step, 3.31832 hours remaining, 235.011719 MB of memory in use. ENERGY: 1174600 3928.1524 20541.5908 14451.3157 246.1673 -202881.5013 2705.0933 0.0000 0.0000 51777.4528 -109231.7290 297.5657 -161009.1818 -108873.6215 298.9331 -136.9354 -106.4566 764449.6810 -5.5773 -5.4765 PRESSURE: 1174800 65.7479 44.5577 -260.508 44.5579 35.3307 -258.822 -260.508 -258.821 60.8809 GPRESSURE: 1174800 103.749 -88.7305 -115.166 22.2263 91.7735 -207.648 -87.9847 -247.101 36.2019 PRESSAVG: 1174800 28.4003 -3.79665 25.9126 -3.79663 -2.28548 -45.7111 25.9127 -45.7111 11.7692 GPRESSAVG: 1174800 28.5466 -3.81298 25.0945 -4.06204 -1.77277 -46.5916 25.7863 -44.3042 11.9289 TIMING: 1174800 CPU: 3665.72, 0.0031059/step Wall: 3665.72, 0.0031059/step, 3.30019 hours remaining, 235.011719 MB of memory in use. ENERGY: 1174800 4070.4284 20639.7158 14455.6230 242.3634 -203574.5200 2919.1486 0.0000 0.0000 51972.6186 -109274.6221 298.6874 -161247.2407 -108926.0758 299.2570 53.9865 77.2414 763491.9145 12.6280 12.9009 PRESSURE: 1175000 -110.445 128.463 157.319 128.463 -46.8856 257.806 157.319 257.807 -6.56602 GPRESSURE: 1175000 -122.986 152.091 146.117 86.318 37.4592 238.998 151.821 178.695 17.5313 PRESSAVG: 1175000 26.3666 1.41782 7.0549 1.41783 -20.7637 -19.3028 7.05491 -19.3029 -4.4084 GPRESSAVG: 1175000 25.8899 2.64448 8.16516 -0.399438 -20.3746 -17.6309 7.31101 -21.1498 -4.82381 TIMING: 1175000 CPU: 3666.34, 0.00311802/step Wall: 3666.34, 0.00311802/step, 3.3129 hours remaining, 235.011719 MB of memory in use. ENERGY: 1175000 4019.9823 20634.7331 14459.1064 234.6079 -203587.1638 2978.7364 0.0000 0.0000 52053.9454 -109206.0523 299.1547 -161259.9977 -108845.5515 299.6335 -54.6322 -22.6651 764265.7902 0.3981 0.2305 PRESSURE: 1175200 83.1341 112.216 -16.2126 112.217 -80.635 -134.481 -16.2124 -134.481 -31.7218 GPRESSURE: 1175200 160.493 -1.89636 -22.336 197.765 -125.268 -159.405 -135.953 -162.791 20.2338 PRESSAVG: 1175200 -1.04646 15.5373 -39.3152 15.5373 10.4164 -42.3927 -39.3152 -42.3927 -6.82051 GPRESSAVG: 1175200 -0.500999 13.4911 -40.8336 18.6315 9.32417 -43.0579 -41.3885 -42.2625 -5.9915 TIMING: 1175200 CPU: 3666.97, 0.00312747/step Wall: 3666.97, 0.00312747/step, 3.32276 hours remaining, 235.136719 MB of memory in use. ENERGY: 1175200 4016.3400 20539.8460 14460.9165 238.8218 -203332.5106 2666.9741 0.0000 0.0000 51985.0526 -109424.5596 298.7588 -161409.6122 -109065.5692 299.1195 -9.7409 18.4862 762755.2710 0.8498 0.9439 PRESSURE: 1175400 -245.256 112.345 -10.7038 112.346 54.5795 -121.986 -10.7028 -121.986 -135.688 GPRESSURE: 1175400 -196.21 64.5479 54.2115 107.862 140.466 -149.716 -87.2407 -195.558 -168.788 PRESSAVG: 1175400 -30.4625 -20.4602 -34.2873 -20.4602 26.7089 8.27577 -34.2873 8.2758 -1.41816 GPRESSAVG: 1175400 -30.8715 -19.1335 -32.6476 -22.3749 27.6511 7.40829 -35.4677 10.2303 -1.23207 TIMING: 1175400 CPU: 3667.59, 0.00313154/step Wall: 3667.59, 0.00313154/step, 3.32691 hours remaining, 235.136719 MB of memory in use. ENERGY: 1175400 3990.6292 20530.3600 14486.8612 248.7908 -203223.9700 2701.0618 0.0000 0.0000 52260.9379 -109005.3292 300.3443 -161266.2671 -108639.5723 299.2479 -108.7881 -74.8440 762008.4582 -1.7239 -1.4842 PRESSURE: 1175600 -119.764 58.298 -76.6686 58.2976 -100.381 312.442 -76.6689 312.442 50.0268 GPRESSURE: 1175600 -59.5103 -27.0879 -61.7503 -38.7151 -92.1044 369.062 -54.3831 376.132 75.2195 PRESSAVG: 1175600 -16.8576 21.7626 25.8263 21.7627 23.0363 16.1256 25.8264 16.1255 6.05737 GPRESSAVG: 1175600 -17.0997 18.6305 23.8428 22.6259 23.1701 18.4572 29.2374 13.9456 5.59959 TIMING: 1175600 CPU: 3668.22, 0.00314031/step Wall: 3668.22, 0.00314031/step, 3.33605 hours remaining, 235.136719 MB of memory in use. ENERGY: 1175600 4030.2428 20598.0873 14494.3186 254.2249 -203112.6144 2540.6423 0.0000 0.0000 52362.6829 -108832.4156 300.9291 -161195.0984 -108465.8242 300.0329 -56.7062 -25.4651 762641.7641 4.0787 3.8900 PRESSURE: 1175800 23.5994 -70.1923 -158.316 -70.1917 -102.662 -186.207 -158.318 -186.206 16.7463 GPRESSURE: 1175800 32.0375 -26.9674 -183.388 -3.51949 15.0023 -140.625 -116.499 -107.582 -41.5842 PRESSAVG: 1175800 -2.71133 8.67856 -22.3315 8.67849 13.5725 -20.3644 -22.3316 -20.3644 3.89963 GPRESSAVG: 1175800 -2.0533 12.2943 -19.7986 7.09492 12.5678 -21.0039 -26.1387 -16.9349 4.10094 TIMING: 1175800 CPU: 3668.85, 0.00314428/step Wall: 3668.85, 0.00314428/step, 3.3401 hours remaining, 235.136719 MB of memory in use. ENERGY: 1175800 3980.6945 20533.6563 14403.5277 241.4266 -202853.8743 2627.2348 0.0000 0.0000 52352.3161 -108715.0183 300.8695 -161067.3345 -108343.7348 300.1216 -20.7721 1.8185 763847.4199 4.9203 4.8718 PRESSURE: 1176000 250.384 84.3627 9.99793 84.3627 -306.353 52.3441 9.99794 52.3439 133.524 GPRESSURE: 1176000 200.636 44.1597 -23.9669 113.218 -213.17 -22.1114 -53.1377 -1.07737 170.825 PRESSAVG: 1176000 43.695 2.50205 39.6327 2.50197 -42.548 -28.8305 39.6327 -28.8305 8.95415 GPRESSAVG: 1176000 44.0683 2.23687 36.1491 4.06552 -41.6323 -32.2698 43.3094 -29.2523 8.70423 TIMING: 1176000 CPU: 3669.48, 0.00312791/step Wall: 3669.48, 0.00312791/step, 3.32254 hours remaining, 235.136719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1176000 3905.3131 20525.7267 14399.8698 238.6343 -202734.4911 2610.3712 0.0000 0.0000 52430.6980 -108623.8779 301.3199 -161054.5760 -108253.9943 300.4841 25.8516 52.7639 762736.4023 3.3671 3.7134 PRESSURE: 1176200 -135.967 -227.895 93.1873 -227.895 -127.558 160.21 93.1874 160.209 -150.502 GPRESSURE: 1176200 -71.9183 -340.692 13.5512 -175.814 -96.7542 80.1915 67.6064 19.2793 -156.241 PRESSAVG: 1176200 3.29367 12.1712 49.5911 12.1711 17.6492 22.0936 49.591 22.0936 2.47681 GPRESSAVG: 1176200 2.47882 11.4425 52.0002 12.1743 17.6888 23.7996 48.1077 20.6846 2.89329 TIMING: 1176200 CPU: 3670.1, 0.00311119/step Wall: 3670.1, 0.00311119/step, 3.30461 hours remaining, 235.136719 MB of memory in use. ENERGY: 1176200 3959.0716 20571.9321 14412.0905 256.0210 -203094.2701 2864.4708 0.0000 0.0000 52424.4192 -108606.2647 301.2839 -161030.6839 -108238.6918 300.7275 -138.0090 -108.3045 763371.8079 7.8066 7.6870 LDB: ============= START OF LOAD BALANCING ============== 3682.58 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3682.58 LDB: =============== DONE WITH MIGRATION ================ 3682.58 LDB: ============= START OF LOAD BALANCING ============== 3682.89 LDB: Largest compute 7007 load 0.031376 is 16.1% of average load 0.195018 LDB: Average compute 0.004383 is 2.2% of average load 0.195018 LDB: TIME 3682.89 LOAD: AVG 0.195018 MAX 0.214625 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.824 MB LDB: TIME 3682.89 LOAD: AVG 0.195018 MAX 0.214625 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.824 MB LDB: TIME 3682.89 LOAD: AVG 0.195018 MAX 0.214625 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.824 MB LDB: ============== END OF LOAD BALANCING =============== 3682.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3682.9 PRESSURE: 1176400 361.747 -153.239 -36.2876 -153.238 -256.104 -162.237 -36.2881 -162.239 -127.171 GPRESSURE: 1176400 295.302 -101.342 -90.829 -195.861 -135.615 -155.14 13.4012 -99.1975 -98.5051 PRESSAVG: 1176400 -4.78007 -49.1991 44.5078 -49.1991 -23.6075 13.306 44.5078 13.306 20.975 GPRESSAVG: 1176400 -4.9419 -49.8845 41.9526 -50.9794 -23.9441 15.9997 46.2502 13.6203 20.9244 TIMING: 1176400 CPU: 3670.73, 0.00317897/step Wall: 3670.73, 0.00317897/step, 3.37642 hours remaining, 234.511719 MB of memory in use. ENERGY: 1176400 4017.9424 20501.6670 14485.9957 250.9427 -202693.7403 2710.9915 0.0000 0.0000 52139.0661 -108587.1350 299.6439 -160726.2011 -108220.0739 300.4969 -7.1762 20.3942 763531.3920 -2.4709 -2.6539 PRESSURE: 1176600 232.039 37.047 -290.848 37.0476 67.2837 42.9709 -290.848 42.9708 -140.341 GPRESSURE: 1176600 294.874 150.773 -284.407 9.76599 111.788 96.1766 -337.955 28.8245 -163.648 PRESSAVG: 1176600 14.6025 -74.5761 7.14517 -74.5761 -10.3959 14.9115 7.14513 14.9116 -19.4127 GPRESSAVG: 1176600 14.0416 -73.6658 9.45095 -70.5537 -10.5895 14.4823 4.57443 13.9388 -18.5781 TIMING: 1176600 CPU: 3671.36, 0.00311989/step Wall: 3671.36, 0.00311989/step, 3.3135 hours remaining, 234.511719 MB of memory in use. ENERGY: 1176600 4006.1518 20560.6332 14503.9015 249.9219 -202728.1749 2686.0051 0.0000 0.0000 52228.6893 -108492.8721 300.1590 -160721.5614 -108127.8576 300.7940 52.9942 81.0045 764135.8132 -5.0687 -5.0420 PRESSURE: 1176800 -348.201 3.09935 -41.4174 3.0985 19.5693 -125.318 -41.4165 -125.319 -314.963 GPRESSURE: 1176800 -324.889 -44.3781 68.8349 39.6361 49.4863 -190.734 -132.833 -119.247 -278.185 PRESSAVG: 1176800 -41.4157 -27.7834 -2.5978 -27.7833 44.3894 -33.381 -2.59779 -33.381 2.39021 GPRESSAVG: 1176800 -39.7849 -24.4759 -4.74881 -31.8389 42.9304 -35.083 0.270461 -31.7592 2.07723 TIMING: 1176800 CPU: 3671.99, 0.00314377/step Wall: 3671.99, 0.00314377/step, 3.33868 hours remaining, 234.769531 MB of memory in use. ENERGY: 1176800 4065.4507 20512.2241 14437.3657 276.3813 -202962.5499 2707.7743 0.0000 0.0000 52478.2770 -108485.0768 301.5934 -160963.3538 -108124.9023 301.0505 -214.5315 -184.5294 763447.0001 1.7880 1.7409 PRESSURE: 1177000 -85.4539 -31.48 82.5873 -31.4809 -288.039 -165.618 82.5872 -165.619 -132.963 GPRESSURE: 1177000 -52.3969 -35.1828 107.179 -36.9907 -210.979 -221.225 70.8161 -118.61 -151.997 PRESSAVG: 1177000 -12.6062 44.8556 76.1664 44.8556 -16.8021 -61.6405 76.1664 -61.6405 -14.6586 GPRESSAVG: 1177000 -12.2005 41.0739 78.008 46.1834 -15.9625 -61.8979 75.5578 -61.5292 -15.3477 TIMING: 1177000 CPU: 3672.62, 0.00315986/step Wall: 3672.62, 0.00315987/step, 3.3556 hours remaining, 234.769531 MB of memory in use. ENERGY: 1177000 4066.7783 20617.5245 14384.6939 250.5821 -202420.4630 2406.1694 0.0000 0.0000 52234.9772 -108459.7376 300.1951 -160694.7148 -108099.2987 300.8902 -168.8186 -138.4577 764571.6356 -14.6890 -14.5036 PRESSURE: 1177200 422.284 54.4286 -14.6982 54.4298 150.873 110.103 -14.6993 110.103 260.266 GPRESSURE: 1177200 477.82 132.851 -20.9833 99.1365 119.969 32.1585 -58.5224 226.49 329.653 PRESSAVG: 1177200 -60.4672 -13.9951 -18.5322 -13.9951 17.3051 -12.3663 -18.5321 -12.3663 12.9274 GPRESSAVG: 1177200 -61.2636 -14.0963 -18.4316 -14.0287 18.3209 -11.6492 -19.4632 -13.0105 12.9003 TIMING: 1177200 CPU: 3673.25, 0.00314867/step Wall: 3673.25, 0.00314867/step, 3.34354 hours remaining, 234.769531 MB of memory in use. ENERGY: 1177200 4034.2181 20476.7026 14425.6794 240.2967 -202945.9753 2850.7094 0.0000 0.0000 52256.8603 -108661.5088 300.3209 -160918.3690 -108299.8803 300.5222 277.8076 309.1472 763838.0875 -10.0782 -10.0141 PRESSURE: 1177400 -245.887 -65.3057 -21.18 -65.3061 -37.3144 165.844 -21.1806 165.843 -214.334 GPRESSURE: 1177400 -235.498 -13.1824 -56.5842 -118.052 -38.1332 184.028 -27.8137 120.899 -143.215 PRESSAVG: 1177400 -33.194 -10.2351 -30.7921 -10.2352 39.5119 46.7968 -30.792 46.7968 12.8859 GPRESSAVG: 1177400 -33.052 -9.11682 -31.85 -10.7553 38.8166 47.6408 -30.5379 46.8813 13.0762 TIMING: 1177400 CPU: 3673.88, 0.00314618/step Wall: 3673.88, 0.00314618/step, 3.34071 hours remaining, 234.769531 MB of memory in use. ENERGY: 1177400 4110.6266 20602.5148 14385.5534 227.0344 -202889.6436 2660.6656 0.0000 0.0000 52322.8937 -108580.3552 300.7004 -160903.2489 -108221.4814 300.4901 -165.8452 -138.9489 763747.6271 6.4013 6.2802 PRESSURE: 1177600 -238.212 225.408 -13.3951 225.407 118.977 170.082 -13.395 170.082 -162.188 GPRESSURE: 1177600 -203.962 167.18 14.0441 177.121 133.147 189.204 -41.2333 235.141 -131.896 PRESSAVG: 1177600 -40.0159 7.88282 13.0638 7.88277 48.8445 62.625 13.0638 62.625 0.409622 GPRESSAVG: 1177600 -39.8644 7.6315 12.3474 7.85175 48.8699 61.1028 13.3228 63.7126 0.824251 TIMING: 1177600 CPU: 3674.51, 0.00313854/step Wall: 3674.51, 0.00313854/step, 3.33243 hours remaining, 234.769531 MB of memory in use. ENERGY: 1177600 4024.6823 20578.0646 14474.4847 259.6464 -203106.2822 2844.3248 0.0000 0.0000 52099.3552 -108825.7243 299.4157 -160925.0795 -108464.9082 299.8895 -93.8077 -67.5700 763367.6025 3.0794 3.2766 PRESSURE: 1177800 283.015 -280.693 -50.9615 -280.694 192.371 65.4332 -50.9612 65.4343 582.784 GPRESSURE: 1177800 297.1 -219.218 8.16431 -348.094 220.338 32.2459 -95.0576 1.77004 614.689 PRESSAVG: 1177800 -31.0889 17.6148 38.529 17.6148 64.3042 68.0907 38.529 68.0907 -7.79769 GPRESSAVG: 1177800 -29.5276 17.7202 38.5305 17.0695 63.2281 68.7427 40.0395 66.9898 -8.10042 TIMING: 1177800 CPU: 3675.13, 0.00311571/step Wall: 3675.13, 0.00311571/step, 3.30802 hours remaining, 234.769531 MB of memory in use. ENERGY: 1177800 4007.2572 20451.0731 14420.2058 226.1151 -203388.3364 3155.9785 0.0000 0.0000 52019.5999 -109108.1067 298.9574 -161127.7066 -108754.9088 299.4298 352.7235 377.3757 761458.5440 8.4725 8.5334 PRESSURE: 1178000 -589.136 271.156 102.54 271.156 -45.8205 215.228 102.54 215.228 29.638 GPRESSURE: 1178000 -553.422 229.202 24.995 281.632 2.48886 118.192 133.981 182.949 40.9329 PRESSAVG: 1178000 -24.9941 9.15892 15.4757 9.15894 30.0428 -4.0592 15.4758 -4.05916 16.578 GPRESSAVG: 1178000 -25.8802 9.37307 16.4092 9.90718 31.2193 -5.96874 13.9301 -3.90134 16.1484 TIMING: 1178000 CPU: 3675.76, 0.00313709/step Wall: 3675.76, 0.00313709/step, 3.33055 hours remaining, 234.769531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1178000 3927.7898 20431.1749 14482.6782 253.6163 -202760.1598 2339.4576 0.0000 0.0000 52111.2684 -109214.1746 299.4842 -161325.4431 -108848.9475 298.7147 -201.7727 -170.0001 762698.6869 7.2089 7.1625 PRESSURE: 1178200 305.864 -3.38433 96.2703 -3.3841 -18.0625 -122.48 96.2706 -122.478 90.3749 GPRESSURE: 1178200 312.285 -82.7145 158.666 21.8615 124.005 -242.989 127.973 -71.3997 34.609 PRESSAVG: 1178200 -14.969 45.2451 93.5561 45.2451 16.5163 15.424 93.5561 15.424 -8.21823 GPRESSAVG: 1178200 -16.8984 45.1873 92.196 45.1091 17.4717 17.6099 93.8278 14.3922 -7.11228 TIMING: 1178200 CPU: 3676.38, 0.00314008/step Wall: 3676.38, 0.00314008/step, 3.33354 hours remaining, 234.769531 MB of memory in use. ENERGY: 1178200 3990.7484 20511.5591 14517.9302 234.1937 -203303.2218 2895.3041 0.0000 0.0000 51953.0557 -109200.4306 298.5749 -161153.4863 -108837.8424 299.2243 126.0588 156.9663 762868.3025 -2.2236 -2.1796 PRESSURE: 1178400 -206.5 83.1172 -122.411 83.1167 -78.6678 60.5766 -122.411 60.5766 450.345 GPRESSURE: 1178400 -121.79 145.839 -79.4725 -14.1895 -33.679 109.558 -207.991 -48.7862 379.45 PRESSAVG: 1178400 -56.613 21.2285 1.77268 21.2285 61.3901 20.2429 1.77262 20.2429 5.62348 GPRESSAVG: 1178400 -53.7203 21.3358 3.10898 20.4955 60.4951 20.9358 0.44503 19.3891 3.20998 TIMING: 1178400 CPU: 3677.01, 0.00314839/step Wall: 3677.01, 0.00314839/step, 3.34219 hours remaining, 234.769531 MB of memory in use. ENERGY: 1178400 3941.4722 20530.5899 14429.1894 262.7271 -203035.6093 2643.6615 0.0000 0.0000 51898.5571 -109329.4120 298.2617 -161227.9691 -108973.0376 299.1003 55.0592 74.6602 764232.2520 3.4669 3.3282 PRESSURE: 1178600 -282.257 -39.2934 123.65 -39.2936 -302.011 -221.475 123.65 -221.475 -143.912 GPRESSURE: 1178600 -355.51 -36.8735 78.2964 -33.6115 -156.247 -206.122 218.728 -222.092 -130.42 PRESSAVG: 1178600 -23.024 10.313 78.1455 10.3129 34.4741 -12.152 78.1455 -12.152 15.1087 GPRESSAVG: 1178600 -24.6465 9.95647 78.3595 11.699 33.9003 -13.5286 79.7969 -12.5814 17.3543 TIMING: 1178600 CPU: 3677.64, 0.00312934/step Wall: 3677.64, 0.00312934/step, 3.32179 hours remaining, 234.769531 MB of memory in use. ENERGY: 1178600 3995.9797 20445.7116 14395.3636 258.9707 -203062.9554 2573.4033 0.0000 0.0000 52054.2928 -109339.2337 299.1567 -161393.5265 -108979.8584 298.3514 -242.7267 -214.0592 763049.9523 8.8529 8.8694 PRESSURE: 1178800 -131.79 78.2329 220.851 78.2325 -386.12 73.9566 220.85 73.9569 -190.252 GPRESSURE: 1178800 -97.5505 -32.396 239.159 7.44598 -367.154 73.9514 219.498 -0.818729 -143.329 PRESSAVG: 1178800 -17.9566 36.3114 14.9779 36.3114 -1.63568 21.037 14.978 21.037 -32.3779 GPRESSAVG: 1178800 -16.8112 34.6321 15.1671 36.3525 -1.04572 19.7006 13.2558 24.8247 -33.5676 TIMING: 1178800 CPU: 3678.27, 0.00315033/step Wall: 3678.27, 0.00315033/step, 3.3439 hours remaining, 234.769531 MB of memory in use. ENERGY: 1178800 3979.4627 20428.0657 14420.5188 266.7664 -203104.5570 2747.5150 0.0000 0.0000 51918.8700 -109343.3584 298.3785 -161262.2284 -108963.2397 298.4326 -236.0542 -202.6781 764229.3129 -17.3234 -17.1415 PRESSURE: 1179000 178.887 -29.1344 54.4605 -29.1344 144.586 52.0478 54.4606 52.0474 158.894 GPRESSURE: 1179000 268.674 -69.955 -2.40739 -17.3241 92.2901 13.9187 107.132 95.8776 195.771 PRESSAVG: 1179000 -44.7982 46.6523 21.1664 46.6523 9.27112 -17.3262 21.1664 -17.3262 18.3367 GPRESSAVG: 1179000 -45.7848 46.1882 19.4868 46.5104 9.75334 -16.1928 21.6142 -19.0111 19.2817 TIMING: 1179000 CPU: 3678.9, 0.00312754/step Wall: 3678.9, 0.00312754/step, 3.31953 hours remaining, 234.769531 MB of memory in use. ENERGY: 1179000 3984.6971 20410.0349 14417.4186 262.2997 -202816.2402 2692.4420 0.0000 0.0000 51791.0029 -109258.3450 297.6436 -161049.3478 -108889.9960 298.6955 160.7891 185.5782 761273.5192 -5.7301 -5.5833 PRESSURE: 1179200 -212.961 -39.2042 -43.9388 -39.2022 -204.117 -5.59814 -43.938 -5.59765 -155.192 GPRESSURE: 1179200 -230.57 -82.0841 -44.8416 -41.4356 -165.328 -57.8494 -21.1872 147.381 -80.8232 PRESSAVG: 1179200 -34.0306 -21.7498 19.3768 -21.7499 32.2763 26.9584 19.3769 26.9583 -18.8122 GPRESSAVG: 1179200 -33.44 -18.5523 19.7014 -22.8607 31.6129 26.7872 19.6412 26.9235 -19.0102 TIMING: 1179200 CPU: 3679.52, 0.00311607/step Wall: 3679.52, 0.00311607/step, 3.30719 hours remaining, 234.769531 MB of memory in use. ENERGY: 1179200 4018.2835 20567.6926 14423.3819 246.1368 -203357.7176 2905.9027 0.0000 0.0000 52312.2649 -108884.0551 300.6393 -161196.3200 -108525.8930 299.1130 -190.7564 -158.9072 763118.6882 -6.8555 -6.9458 PRESSURE: 1179400 285.651 -59.8943 -206.741 -59.8942 29.7803 -50.4261 -206.742 -50.4257 -247.694 GPRESSURE: 1179400 255.529 -62.5415 -196.233 -114.057 116.124 3.83243 -109.023 3.15705 -236.768 PRESSAVG: 1179400 -17.682 -3.96793 47.8674 -3.96794 30.7354 49.3288 47.8674 49.3288 0.900438 GPRESSAVG: 1179400 -17.3353 -4.07994 48.7696 -2.87964 31.0209 48.9465 49.5619 49.7265 0.546443 TIMING: 1179400 CPU: 3680.14, 0.00310524/step Wall: 3680.14, 0.00310524/step, 3.29552 hours remaining, 234.769531 MB of memory in use. ENERGY: 1179400 4025.9202 20512.7120 14417.7235 265.4843 -202937.4165 2675.5070 0.0000 0.0000 52168.4473 -108871.6222 299.8128 -161040.0695 -108508.7089 299.9556 22.5788 44.9615 761802.2477 4.6513 4.7440 PRESSURE: 1179600 -67.8381 -28.9116 3.75895 -28.9113 187.192 11.2321 3.75947 11.2327 -91.3902 GPRESSURE: 1179600 94.1847 -54.4585 -29.7711 -50.8141 102.737 -26.0487 -105.827 -41.6794 -75.0462 PRESSAVG: 1179600 -21.7542 -56.3557 43.3808 -56.3557 17.2596 39.6479 43.3808 39.6478 -7.20174 GPRESSAVG: 1179600 -21.2111 -57.0548 43.825 -55.5012 16.0478 40.4304 38.8841 38.6121 -6.23027 TIMING: 1179600 CPU: 3680.76, 0.00312053/step Wall: 3680.76, 0.00312053/step, 3.31157 hours remaining, 234.769531 MB of memory in use. ENERGY: 1179600 4037.6543 20638.3237 14482.3052 256.5756 -202784.0908 2745.2181 0.0000 0.0000 52123.1532 -108500.8607 299.5525 -160624.0140 -108135.9327 300.0203 9.3214 40.6250 763610.1877 -3.8988 -3.7978 PRESSURE: 1179800 -54.0816 -44.4168 115.603 -44.417 11.6471 -54.1299 115.603 -54.1295 -91.4409 GPRESSURE: 1179800 -75.5219 -124.104 104.588 -0.362978 80.6126 -6.61085 121.465 -14.9841 -43.668 PRESSAVG: 1179800 -34.0715 -21.4201 22.0627 -21.4201 1.50961 34.4203 22.0627 34.4202 15.0556 GPRESSAVG: 1179800 -33.7213 -23.7332 20.9606 -19.406 2.2218 34.6046 24.6637 35.3498 13.8963 TIMING: 1179800 CPU: 3681.39, 0.00314978/step Wall: 3681.39, 0.00314978/step, 3.34244 hours remaining, 234.769531 MB of memory in use. ENERGY: 1179800 4112.8300 20638.0406 14498.0198 239.6131 -203050.6836 2847.7009 0.0000 0.0000 52127.8551 -108586.6240 299.5795 -160714.4791 -108222.9152 300.6805 -44.6251 -12.8591 763370.9271 -5.8354 -5.8677 PRESSURE: 1180000 -248.816 119.132 -104 119.132 -152.309 -167.692 -104 -167.692 -107.388 GPRESSURE: 1180000 -241.663 90.0631 36.2525 164.299 -15.6932 -183.393 -57.1516 -125.537 -174.163 PRESSAVG: 1180000 41.2386 -15.2224 86.1602 -15.2224 -19.4691 32.6227 86.1602 32.6227 -2.3543 GPRESSAVG: 1180000 41.2072 -12.6322 87.7338 -18.8283 -19.7742 31.9047 86.1954 33.3427 -1.94289 TIMING: 1180000 CPU: 3682.02, 0.00312202/step Wall: 3682.02, 0.00312202/step, 3.31282 hours remaining, 234.769531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1180000 4054.3093 20483.9756 14633.0635 259.2682 -202810.0323 2610.7496 0.0000 0.0000 52202.5842 -108566.0820 300.0090 -160768.6662 -108206.8392 300.8196 -169.5042 -143.8395 763086.9910 6.4717 6.4967 PRESSURE: 1180200 158.442 -59.3066 38.4372 -59.3072 -164.799 89.9006 38.4373 89.9002 -259.64 GPRESSURE: 1180200 22.3122 -73.8038 33.8015 56.393 -0.0733544 89.6904 137.441 80.2573 -195.3 PRESSAVG: 1180200 13.263 -25.2664 71.4969 -25.2664 -44.2417 -12.91 71.497 -12.91 14.4589 GPRESSAVG: 1180200 11.3286 -25.0325 71.1352 -26.3043 -43.1773 -13.2661 68.6924 -14.2481 15.1376 TIMING: 1180200 CPU: 3682.64, 0.00312972/step Wall: 3682.64, 0.00312972/step, 3.32081 hours remaining, 234.769531 MB of memory in use. ENERGY: 1180200 3909.4397 20673.2900 14479.5485 248.2031 -203008.0303 2625.1553 0.0000 0.0000 52418.9750 -108653.4187 301.2526 -161072.3937 -108294.9895 301.0769 -88.6657 -57.6870 762223.7634 -5.5066 -5.5703 LDB: ============= START OF LOAD BALANCING ============== 3695.12 LDB: ============== END OF LOAD BALANCING =============== 3695.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3695.13 LDB: ============= START OF LOAD BALANCING ============== 3695.44 LDB: Largest compute 7021 load 0.030728 is 15.8% of average load 0.195076 LDB: Average compute 0.004374 is 2.2% of average load 0.195076 LDB: TIME 3695.44 LOAD: AVG 0.195076 MAX 0.214214 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.238 MB LDB: TIME 3695.44 LOAD: AVG 0.195076 MAX 0.214214 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.332 MB LDB: TIME 3695.44 LOAD: AVG 0.195076 MAX 0.214214 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.332 MB LDB: ============== END OF LOAD BALANCING =============== 3695.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3695.45 PRESSURE: 1180400 -44.5755 49.4641 -4.86154 49.4637 222.78 -13.3035 -4.86184 -13.3034 179.213 GPRESSURE: 1180400 -62.1523 -37.0079 -113.597 109.908 222.906 43.4846 100.507 -103.132 261.868 PRESSAVG: 1180400 -7.74971 39.7749 16.637 39.7748 -13.8099 -2.34085 16.637 -2.34073 -8.3616 GPRESSAVG: 1180400 -6.79795 38.7716 15.7051 41.5853 -14.9675 0.303925 17.7315 -0.86882 -8.42118 TIMING: 1180400 CPU: 3683.28, 0.00320145/step Wall: 3683.28, 0.00320145/step, 3.39674 hours remaining, 233.730469 MB of memory in use. ENERGY: 1180400 3956.7953 20673.1520 14411.8362 243.5714 -203107.3258 2756.5818 0.0000 0.0000 52240.6367 -108824.7524 300.2277 -161065.3891 -108447.2356 300.3132 119.1390 140.8740 761786.6625 -9.9737 -10.0622 PRESSURE: 1180600 -77.3809 -189.027 101.729 -189.028 -8.11384 -79.1847 101.73 -79.1847 126.61 GPRESSURE: 1180600 -89.2469 -236.718 164.807 -92.6783 135.012 -93.7553 125.41 -150.131 65.9091 PRESSAVG: 1180600 16.3864 1.39364 8.59707 1.39366 -22.0377 13.5722 8.59712 13.5722 17.164 GPRESSAVG: 1180600 16.4 0.789945 9.17619 0.1731 -20.6775 12.6197 8.4102 12.5951 15.756 TIMING: 1180600 CPU: 3683.91, 0.00311237/step Wall: 3683.91, 0.00311237/step, 3.30205 hours remaining, 233.730469 MB of memory in use. ENERGY: 1180600 3984.0398 20635.0758 14466.3294 267.0580 -203019.5142 2633.1569 0.0000 0.0000 52231.1350 -108802.7193 300.1731 -161033.8543 -108449.4299 300.1748 13.7052 37.2248 763389.2415 3.8376 3.8262 PRESSURE: 1180800 154.263 -112.183 124.443 -112.183 -345.826 120 124.442 120 409.443 GPRESSURE: 1180800 91.7595 -19.5222 140.856 -134.529 -189.607 74.0303 17.7182 106.811 393.389 PRESSAVG: 1180800 18.1533 35.6713 73.2903 35.6712 -11.9414 11.3321 73.2903 11.332 -6.58116 GPRESSAVG: 1180800 17.7127 35.6157 74.0702 35.0677 -11.9347 10.228 74.4982 12.156 -5.21812 TIMING: 1180800 CPU: 3684.53, 0.00310682/step Wall: 3684.53, 0.00310682/step, 3.29599 hours remaining, 233.730469 MB of memory in use. ENERGY: 1180800 3973.5905 20528.0682 14394.7834 234.4757 -203748.7813 3143.6933 0.0000 0.0000 52299.3180 -109174.8521 300.5649 -161474.1702 -108808.6272 299.8506 72.6270 98.5139 761963.4803 -0.1231 0.1866 PRESSURE: 1181000 -41.0086 119.17 -109.096 119.17 -76.3129 -193.595 -109.097 -193.595 260.465 GPRESSURE: 1181000 -23.0263 193.356 -30.8824 169.325 -30.0587 -144.011 -296.386 -160.032 262.475 PRESSAVG: 1181000 -15.7028 18.0656 45.6606 18.0656 -33.2036 -26.1155 45.6606 -26.1155 -16.3882 GPRESSAVG: 1181000 -15.7538 17.5429 43.7612 18.3027 -33.6076 -26.0787 44.4703 -27.5625 -16.4799 TIMING: 1181000 CPU: 3685.15, 0.00311577/step Wall: 3685.15, 0.00311577/step, 3.30531 hours remaining, 233.730469 MB of memory in use. ENERGY: 1181000 4020.9154 20651.2638 14471.5372 254.9488 -203529.2287 2973.3393 0.0000 0.0000 51978.9518 -109178.2723 298.7238 -161157.2241 -108818.5771 299.2692 47.7145 69.7968 761062.9259 -21.7649 -21.9471 PRESSURE: 1181200 138.381 -59.5235 55.4299 -59.5228 174.069 309.651 55.4291 309.651 -309.06 GPRESSURE: 1181200 226.412 17.348 76.3061 10.1222 126.195 275.824 4.0982 276.246 -255.765 PRESSAVG: 1181200 70.2373 1.58353 1.15452 1.58347 -42.4871 -4.12186 1.1545 -4.1219 3.32261 GPRESSAVG: 1181200 71.2632 4.71073 1.37531 0.566693 -42.7445 -5.32109 -0.000187771 -2.39612 2.79593 TIMING: 1181200 CPU: 3685.78, 0.00312001/step Wall: 3685.78, 0.00312001/step, 3.30963 hours remaining, 233.730469 MB of memory in use. ENERGY: 1181200 3996.9206 20601.6227 14418.9497 221.3429 -203819.2511 3257.3933 0.0000 0.0000 51998.0738 -109324.9481 298.8336 -161323.0219 -108962.0611 299.3697 1.1300 32.2808 761552.4023 10.3576 10.4382 PRESSURE: 1181400 -251.389 -193.877 381.762 -193.877 -107.015 78.473 381.762 78.4733 3.42463 GPRESSURE: 1181400 -244.966 -185.195 320.578 -86.6902 -146.827 78.69 231.75 106.249 112.916 PRESSAVG: 1181400 24.2257 16.9705 32.3219 16.9705 -27.1473 1.86218 32.3219 1.86212 -1.07403 GPRESSAVG: 1181400 23.2505 16.4105 32.995 16.3782 -27.4076 2.71811 34.3344 0.296183 0.01908 TIMING: 1181400 CPU: 3686.4, 0.00311564/step Wall: 3686.4, 0.00311564/step, 3.30483 hours remaining, 233.730469 MB of memory in use. ENERGY: 1181400 4030.7713 20543.5606 14487.2353 246.8509 -203264.8864 2555.3250 0.0000 0.0000 52134.3568 -109266.7866 299.6169 -161401.1434 -108908.3074 299.3418 -118.3264 -92.9589 761630.8754 -1.3319 -1.3793 PRESSURE: 1181600 -173.17 53.3123 41.7107 53.3127 -143.022 -139.694 41.7102 -139.694 -225.593 GPRESSURE: 1181600 -156.795 61.3234 -17.1706 67.9151 -69.622 -163.06 113.155 -26.6443 -231.254 PRESSAVG: 1181600 -3.23656 -10.7627 25.3965 -10.7626 0.392896 -11.7543 25.3965 -11.7544 -5.64666 GPRESSAVG: 1181600 -1.51002 -13.8376 24.6894 -8.93307 -0.292317 -10.6633 25.7257 -11.8778 -6.86124 TIMING: 1181600 CPU: 3687.02, 0.00310976/step Wall: 3687.02, 0.00310976/step, 3.29842 hours remaining, 233.730469 MB of memory in use. ENERGY: 1181600 4028.3628 20660.4239 14440.4314 251.3338 -203275.8420 2715.7525 0.0000 0.0000 51934.7480 -109244.7897 298.4697 -161179.5376 -108888.8954 299.8031 -180.5950 -152.5571 762850.3382 -2.8301 -2.8879 PRESSURE: 1181800 -301.014 -185.617 124.345 -185.616 -351.78 48.0247 124.345 48.0248 -66.5064 GPRESSURE: 1181800 -292.952 -102.482 97.9151 -150.252 -234.793 108.933 148.878 85.3185 -90.3214 PRESSAVG: 1181800 -6.14747 26.3824 21.6151 26.3824 17.9535 -15.1946 21.6152 -15.1945 -2.11424 GPRESSAVG: 1181800 -7.20999 28.6756 22.2855 26.0075 20.0397 -15.6768 20.7229 -14.1167 -2.67645 TIMING: 1181800 CPU: 3687.65, 0.00312808/step Wall: 3687.65, 0.00312808/step, 3.31767 hours remaining, 233.730469 MB of memory in use. ENERGY: 1181800 3997.6305 20583.2876 14477.8618 264.7409 -203438.8072 2828.2329 0.0000 0.0000 52425.8805 -108861.1730 301.2923 -161287.0535 -108494.0060 300.0536 -239.7670 -206.0221 763269.3037 3.2306 3.3844 PRESSURE: 1182000 -216.25 93.3211 70.1964 93.3211 -77.5206 170.744 70.1965 170.744 163.006 GPRESSURE: 1182000 -183.763 161.976 100.984 233.166 -10.7154 85.4153 76.7029 134.833 156.841 PRESSAVG: 1182000 -17.1301 54.3284 3.43349 54.3284 31.7696 13.978 3.43349 13.9781 -12.4704 GPRESSAVG: 1182000 -17.9319 52.6255 2.90418 56.0558 31.2131 14.2407 3.60034 13.02 -11.438 TIMING: 1182000 CPU: 3688.27, 0.00313505/step Wall: 3688.27, 0.00313505/step, 3.3249 hours remaining, 233.730469 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: 1182000 4113.4080 20669.9011 14490.8123 231.4962 -202918.6907 2617.3402 0.0000 0.0000 52067.3997 -108728.3332 299.2321 -160795.7329 -108369.0096 300.3835 -43.5885 -12.5457 761384.2086 0.7230 0.6144 PRESSURE: 1182200 283.049 62.7647 36.6426 62.7642 246.979 23.4462 36.6431 23.4466 219.142 GPRESSURE: 1182200 304.304 102.967 -20.7071 154.526 334.177 -50.8217 -19.1426 -14.0405 198.569 PRESSAVG: 1182200 -56.9236 -17.0113 1.2743 -17.0113 3.89761 -39.1843 1.27438 -39.1843 -1.41273 GPRESSAVG: 1182200 -56.5422 -19.7528 2.4301 -17.1317 3.38699 -40.0857 3.18394 -41.227 -1.65833 TIMING: 1182200 CPU: 3688.9, 0.00312724/step Wall: 3688.9, 0.00312724/step, 3.31644 hours remaining, 233.730469 MB of memory in use. ENERGY: 1182200 3966.1980 20742.8018 14474.2713 239.7908 -203263.1564 2828.1040 0.0000 0.0000 52236.4963 -108775.4941 300.2039 -161011.9905 -108416.0643 300.3413 249.7233 279.0167 760224.8068 -18.1462 -18.2712 PRESSURE: 1182400 -153.438 48.4289 -116.68 48.4289 94.6014 199.881 -116.68 199.881 -218.975 GPRESSURE: 1182400 -65.9993 38.6851 5.46258 1.11622 80.8141 191.918 -189.689 128.795 -203.76 PRESSAVG: 1182400 -17.6242 -11.9014 -3.34217 -11.9014 21.0885 16.8993 -3.34211 16.8993 21.6459 GPRESSAVG: 1182400 -17.6854 -7.20121 -2.87168 -13.8258 21.4553 19.471 -4.53745 18.7113 21.5628 TIMING: 1182400 CPU: 3689.52, 0.00311894/step Wall: 3689.52, 0.00311894/step, 3.30747 hours remaining, 233.730469 MB of memory in use. ENERGY: 1182400 3974.9798 20775.3255 14504.0264 260.3217 -202979.3045 2478.1462 0.0000 0.0000 52051.1072 -108935.3975 299.1384 -160986.5047 -108576.5578 300.2451 -92.6040 -62.9817 762356.0372 8.3701 8.4442 PRESSURE: 1182600 80.6941 -382.407 -26.9326 -382.406 -11.0008 135.579 -26.9314 135.579 -414.559 GPRESSURE: 1182600 138.839 -228.46 -48.7023 -482.649 -22.1264 199.011 -30.1789 -1.07909 -375.097 PRESSAVG: 1182600 -47.8098 -21.551 48.2768 -21.551 72.1159 67.6701 48.2768 67.67 0.981504 GPRESSAVG: 1182600 -47.3129 -23.4482 47.6507 -20.0266 71.7123 66.219 45.6904 66.715 1.00009 TIMING: 1182600 CPU: 3690.15, 0.00313307/step Wall: 3690.15, 0.00313307/step, 3.32227 hours remaining, 233.730469 MB of memory in use. ENERGY: 1182600 3938.2648 20613.4433 14490.5490 262.2685 -203163.8632 2624.4656 0.0000 0.0000 52152.4401 -109082.4317 299.7208 -161234.8718 -108727.2685 299.4778 -114.9553 -86.1282 761924.9934 8.4292 8.4665 PRESSURE: 1182800 125.034 -13.1417 -21.9527 -13.1409 91.8276 -244.831 -21.9522 -244.831 -113.762 GPRESSURE: 1182800 223.712 14.1271 41.3076 -26.309 35.7055 -206.055 11.6525 -105.28 -67.3244 PRESSAVG: 1182800 -5.44057 30.4476 43.058 30.4476 16.4929 48.6165 43.0581 48.6165 -1.60911 GPRESSAVG: 1182800 -5.09844 30.6004 45.2911 27.1405 16.5165 49.9814 44.9609 48.243 -1.77549 TIMING: 1182800 CPU: 3690.78, 0.00314204/step Wall: 3690.78, 0.00314204/step, 3.33161 hours remaining, 233.730469 MB of memory in use. ENERGY: 1182800 4005.9306 20542.5767 14457.3771 249.6375 -203136.0138 2781.1620 0.0000 0.0000 51818.9609 -109280.3690 297.8043 -161099.3299 -108921.5295 299.1709 34.3666 64.0310 761719.1705 3.1477 3.2142 PRESSURE: 1183000 -74.2982 31.7395 -142.651 31.7398 -14.7875 -260.266 -142.651 -260.267 179.023 GPRESSURE: 1183000 -44.1393 -32.0155 -56.9388 -69.1964 8.60467 -161.617 -136.343 -192.959 212.36 PRESSAVG: 1183000 4.20427 20.7894 -14.8528 20.7894 -17.8791 31.4149 -14.8529 31.415 11.8534 GPRESSAVG: 1183000 3.49059 20.2994 -16.1617 19.7393 -18.1605 29.2199 -14.4072 31.8518 12.8861 TIMING: 1183000 CPU: 3691.4, 0.00312317/step Wall: 3691.4, 0.00312317/step, 3.31143 hours remaining, 233.730469 MB of memory in use. ENERGY: 1183000 4023.6259 20545.1905 14499.4682 238.3936 -203400.1650 2840.9499 0.0000 0.0000 52034.7840 -109217.7530 299.0446 -161252.5370 -108860.1172 299.1109 29.9791 58.9418 760610.0426 -0.6071 -0.5946 PRESSURE: 1183200 -252.419 -49.8013 133.178 -49.8016 -266.469 -49.3284 133.177 -49.3283 -226.377 GPRESSURE: 1183200 -279.511 113.944 130.829 43.8142 -199.1 -63.9792 97.1729 31.8895 -191.013 PRESSAVG: 1183200 -118.175 13.8028 38.8457 13.8028 125.279 -1.8933 38.8457 -1.89337 13.5256 GPRESSAVG: 1183200 -118.176 14.1686 36.252 15.7195 125.33 -1.62334 40.743 -1.28998 14.2252 TIMING: 1183200 CPU: 3692.03, 0.00311485/step Wall: 3692.03, 0.00311485/step, 3.30243 hours remaining, 233.730469 MB of memory in use. ENERGY: 1183200 4011.1436 20547.6886 14438.0068 240.1311 -203150.3476 2652.0718 0.0000 0.0000 52118.6310 -109142.6748 299.5265 -161261.3058 -108778.5151 299.6783 -248.4219 -223.2078 763257.2003 6.8765 7.1264 PRESSURE: 1183400 -270.045 -12.0118 -98.2012 -12.0121 151.508 208.565 -98.2017 208.565 267.867 GPRESSURE: 1183400 -249.352 10.1453 -84.6327 6.87265 217.895 245.922 -68.4315 288.757 243.841 PRESSAVG: 1183400 -17.7783 -1.3269 -43.7954 -1.32688 38.6749 -20.2142 -43.7953 -20.2142 -6.39505 GPRESSAVG: 1183400 -16.9786 -2.46847 -42.1693 0.168178 38.1745 -20.7554 -44.8136 -18.7497 -7.52854 TIMING: 1183400 CPU: 3692.65, 0.00313435/step Wall: 3692.65, 0.00313436/step, 3.32294 hours remaining, 233.730469 MB of memory in use. ENERGY: 1183400 4007.1988 20419.5206 14403.2651 244.7994 -203173.8270 2637.8668 0.0000 0.0000 52310.7782 -109150.3981 300.6308 -161461.1763 -108772.9342 299.8702 49.7768 70.7946 762808.4788 4.8338 4.5558 PRESSURE: 1183600 -20.4212 266.605 34.8057 266.606 -403.529 180.571 34.8055 180.571 190.743 GPRESSURE: 1183600 -173.363 216.53 -5.3951 262.473 -248.45 169.772 147.921 279.298 261.013 PRESSAVG: 1183600 -15.3132 33.8485 -6.26588 33.8485 -5.5969 24.3953 -6.26588 24.3953 -20.7267 GPRESSAVG: 1183600 -17.2604 33.2132 -7.67216 34.2023 -5.16133 23.7751 -8.92502 22.3508 -19.3567 TIMING: 1183600 CPU: 3693.28, 0.00313274/step Wall: 3693.28, 0.00313274/step, 3.32105 hours remaining, 233.730469 MB of memory in use. ENERGY: 1183600 3983.9152 20583.5056 14364.6971 257.4902 -203194.8803 2415.6829 0.0000 0.0000 52133.5888 -109456.0006 299.6125 -161589.5894 -109087.2517 299.3437 -77.7356 -53.5999 762996.8673 -13.8789 -13.9261 PRESSURE: 1183800 -229.733 42.5964 27.9233 42.5975 -324.363 -101.338 27.9238 -101.338 -186.034 GPRESSURE: 1183800 -101.436 -30.3111 46.2823 -27.4969 -282.264 -51.9109 -32.1604 -80.0123 -260.065 PRESSAVG: 1183800 10.8852 62.5587 -18.3524 62.5588 13.3042 57.6002 -18.3524 57.6003 8.32729 GPRESSAVG: 1183800 12.2796 63.7686 -17.4073 61.8431 13.2185 57.7983 -14.912 59.1113 7.19169 TIMING: 1183800 CPU: 3693.9, 0.0031293/step Wall: 3693.9, 0.0031293/step, 3.31723 hours remaining, 233.730469 MB of memory in use. ENERGY: 1183800 4001.9028 20593.2298 14339.2901 246.2097 -203252.0407 2614.9465 0.0000 0.0000 52017.3884 -109439.0735 298.9446 -161456.4619 -109074.8470 298.9949 -246.7100 -214.5885 762228.2418 10.8389 10.8966 PRESSURE: 1184000 293.191 -29.3073 -156.784 -29.3078 -133.46 -184.268 -156.784 -184.269 14.9041 GPRESSURE: 1184000 324.272 -47.0201 -139.455 102.514 -90.4186 -6.24899 -241.02 -193.342 33.0373 PRESSAVG: 1184000 -19.5424 20.2936 -27.7123 20.2936 17.559 10.3507 -27.7124 10.3506 16.2388 GPRESSAVG: 1184000 -18.8529 20.0958 -27.7006 20.4435 16.6939 11.1519 -31.761 10.0529 15.8057 TIMING: 1184000 CPU: 3694.53, 0.00312979/step Wall: 3694.53, 0.00312979/step, 3.31757 hours remaining, 233.730469 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: 1184000 3999.8062 20527.3147 14416.3445 250.6459 -203405.5205 2762.6935 0.0000 0.0000 52081.1242 -109367.5914 299.3109 -161448.7157 -109007.6143 299.4142 58.2117 88.9636 761338.6305 4.7518 4.5489 PRESSURE: 1184200 376.491 49.4574 -104.145 49.4567 134.046 4.7738 -104.146 4.77372 50.4661 GPRESSURE: 1184200 492.36 2.72072 -68.7219 69.662 162.302 -57.0759 -105.005 -121.117 -21.9632 PRESSAVG: 1184200 -9.26559 -38.2063 24.4768 -38.2063 8.47665 2.27576 24.4768 2.27579 15.2109 GPRESSAVG: 1184200 -9.45236 -36.5709 25.7828 -38.5676 8.361 1.74705 27.079 2.69123 15.6498 TIMING: 1184200 CPU: 3695.16, 0.00312879/step Wall: 3695.16, 0.00312879/step, 3.31634 hours remaining, 233.730469 MB of memory in use. ENERGY: 1184200 3906.4736 20423.5678 14407.0161 242.4994 -203424.3600 2770.4098 0.0000 0.0000 52108.7925 -109565.6008 299.4699 -161674.3934 -109191.1935 299.0915 187.0011 210.8998 759483.3148 4.8073 4.8528 LDB: ============= START OF LOAD BALANCING ============== 3707.64 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3707.64 LDB: =============== DONE WITH MIGRATION ================ 3707.64 LDB: ============= START OF LOAD BALANCING ============== 3707.95 LDB: Largest compute 7021 load 0.031225 is 16.0% of average load 0.195155 LDB: Average compute 0.004376 is 2.2% of average load 0.195155 LDB: TIME 3707.96 LOAD: AVG 0.195155 MAX 0.215798 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.023 MB LDB: TIME 3707.96 LOAD: AVG 0.195155 MAX 0.215798 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.062 MB LDB: TIME 3707.96 LOAD: AVG 0.195155 MAX 0.215798 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.062 MB LDB: ============== END OF LOAD BALANCING =============== 3707.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3707.96 PRESSURE: 1184400 -19.8136 -9.32006 -172.37 -9.31889 -228.138 -7.06275 -172.37 -7.06215 -239.688 GPRESSURE: 1184400 -23.1889 29.3245 -179.162 -30.5664 -153.87 24.2917 -92.6749 31.4249 -239.227 PRESSAVG: 1184400 1.71341 14.6043 3.6758 14.6043 14.3141 -1.2546 3.67586 -1.25463 -16.0065 GPRESSAVG: 1184400 1.99288 12.6504 3.04529 12.3928 13.1275 -1.9101 3.44394 0.18133 -15.3235 TIMING: 1184400 CPU: 3695.8, 0.0032092/step Wall: 3695.8, 0.0032092/step, 3.4014 hours remaining, 234.253906 MB of memory in use. ENERGY: 1184400 4074.4762 20668.9520 14383.1586 245.3139 -203293.1608 2756.1339 0.0000 0.0000 52020.8586 -109144.2676 298.9646 -161165.1262 -108789.0801 299.2671 -162.5468 -138.7620 762086.8821 0.0070 -0.0677 PRESSURE: 1184600 -172.257 212.242 44.7776 212.24 -290.556 121.144 44.7777 121.145 -364.779 GPRESSURE: 1184600 -121.907 179.074 7.56249 217.807 -232.091 132.824 61.5581 -1.32602 -367.204 PRESSAVG: 1184600 -20.4777 -0.980819 -19.7342 -0.980825 -19.5914 -44.2476 -19.7342 -44.2475 -15.676 GPRESSAVG: 1184600 -21.3638 -1.20347 -19.9878 1.24705 -18.3397 -43.0927 -19.0635 -45.6945 -16.1664 TIMING: 1184600 CPU: 3696.42, 0.00312981/step Wall: 3696.42, 0.00312981/step, 3.31708 hours remaining, 234.253906 MB of memory in use. ENERGY: 1184600 3980.0694 20685.2850 14373.9786 254.6014 -202973.7522 2598.5229 0.0000 0.0000 52094.2466 -108987.0484 299.3864 -161081.2950 -108623.1776 299.6134 -275.8644 -240.4009 762379.8136 -18.5817 -18.6233 PRESSURE: 1184800 36.9353 46.4699 -41.214 46.4692 248.534 77.6239 -41.2132 77.6256 208.558 GPRESSURE: 1184800 0.994545 -46.2487 79.8074 -69.8582 331.331 -8.13419 -80.4129 192.791 245.406 PRESSAVG: 1184800 -33.1935 15.3561 1.52313 15.3561 5.87644 -1.27066 1.52313 -1.27064 2.42756 GPRESSAVG: 1184800 -33.582 15.3331 1.20726 14.47 5.77205 0.975467 -0.860807 -1.62519 2.89262 TIMING: 1184800 CPU: 3697.05, 0.00313667/step Wall: 3697.05, 0.00313667/step, 3.32417 hours remaining, 234.253906 MB of memory in use. ENERGY: 1184800 3949.3170 20462.2400 14385.8371 230.8494 -203223.6217 2863.2210 0.0000 0.0000 52228.7233 -109103.4341 300.1592 -161332.1573 -108742.4133 299.5966 164.6759 192.5774 761720.2871 -8.2965 -8.3058 PRESSURE: 1185000 -95.5826 -157.703 276.517 -157.702 -46.2461 382.029 276.517 382.028 -112.413 GPRESSURE: 1185000 -125.655 -78.786 234.547 -63.9361 -39.0368 459.183 195.327 336.65 -26.3735 PRESSAVG: 1185000 46.6148 -12.7848 -6.11196 -12.7848 -9.53633 -7.22574 -6.11203 -7.22575 -28.7497 GPRESSAVG: 1185000 46.815 -11.7415 -5.30093 -13.2724 -10.4769 -8.53409 -5.93323 -6.24416 -28.762 TIMING: 1185000 CPU: 3697.68, 0.00313346/step Wall: 3697.68, 0.00313346/step, 3.32059 hours remaining, 234.253906 MB of memory in use. ENERGY: 1185000 4003.8063 20510.3587 14392.0027 239.2470 -203161.5209 2814.3813 0.0000 0.0000 51999.5120 -109202.2130 298.8419 -161201.7250 -108841.4903 299.6238 -84.7474 -63.6884 763512.2343 2.7762 2.5254 PRESSURE: 1185200 175.697 129.442 25.6173 129.442 -228.471 99.296 25.6176 99.2965 -160.888 GPRESSURE: 1185200 116.304 122.318 10.94 46.3575 -149.573 99.7046 -30.586 76.3423 -101.568 PRESSAVG: 1185200 -29.6524 21.4504 -3.87826 21.4504 6.68914 6.31424 -3.87823 6.31434 -17.3357 GPRESSAVG: 1185200 -30.4585 20.7875 -4.54282 20.6943 8.0123 6.35093 -3.99831 5.08352 -17.9026 TIMING: 1185200 CPU: 3698.3, 0.00311162/step Wall: 3698.3, 0.00311162/step, 3.29728 hours remaining, 234.253906 MB of memory in use. ENERGY: 1185200 3999.0646 20559.9156 14446.1416 259.2668 -202982.1422 2530.9678 0.0000 0.0000 51948.8109 -109237.9748 298.5505 -161186.7857 -108882.6570 299.2305 -71.2207 -44.9456 761627.9188 -13.4330 -13.4496 PRESSURE: 1185400 -178.767 -130.447 225.155 -130.447 -105.18 41.5947 225.156 41.5938 -152.486 GPRESSURE: 1185400 -185.317 -77.7836 272.185 14.6809 -37.1878 108.424 103.208 -79.8508 -163.655 PRESSAVG: 1185400 13.9001 -27.1737 -57.8112 -27.1737 -4.09529 55.4742 -57.8112 55.4741 22.9529 GPRESSAVG: 1185400 14.4226 -28.0541 -58.7123 -25.7649 -4.68207 54.3693 -57.9767 54.6428 22.5344 TIMING: 1185400 CPU: 3698.92, 0.00312074/step Wall: 3698.92, 0.00312074/step, 3.30677 hours remaining, 234.253906 MB of memory in use. ENERGY: 1185400 3988.7829 20528.9533 14498.3695 242.9899 -203229.1585 2675.5263 0.0000 0.0000 52024.8876 -109269.6491 298.9877 -161294.5366 -108927.2218 299.2484 -145.4780 -128.7197 762916.4713 10.9192 10.7583 PRESSURE: 1185600 28.5363 -13.14 -253.695 -13.1396 104.265 -110.29 -253.696 -110.291 235.463 GPRESSURE: 1185600 142.221 69.0303 -276.996 -70.3226 71.3602 -90.0134 -271.58 -212.068 253.381 PRESSAVG: 1185600 32.8108 -16.4862 -25.0241 -16.4862 -9.99879 -12.1701 -25.0241 -12.1701 -25.9743 GPRESSAVG: 1185600 33.2636 -14.9638 -24.1183 -17.2315 -10.6867 -11.9097 -24.3841 -11.561 -26.3651 TIMING: 1185600 CPU: 3699.55, 0.00313032/step Wall: 3699.55, 0.00313033/step, 3.31675 hours remaining, 234.253906 MB of memory in use. ENERGY: 1185600 3952.4825 20439.0702 14458.8994 260.7263 -203131.0626 2781.5411 0.0000 0.0000 52002.8973 -109235.4458 298.8614 -161238.3431 -108878.5172 299.0471 122.7546 155.6541 763334.9257 -1.0541 -1.2628 PRESSURE: 1185800 38.3467 -0.892111 95.3677 -0.892135 1.4354 252.559 95.3684 252.559 -483.876 GPRESSURE: 1185800 111.444 -0.33217 75.3761 15.6207 -6.00155 189.046 125.266 213.94 -468.517 PRESSAVG: 1185800 0.68928 8.04356 -20.902 8.04357 34.8271 35.2767 -20.902 35.2768 -5.06152 GPRESSAVG: 1185800 1.05388 8.60683 -21.0922 7.75312 34.1579 36.5814 -20.1749 34.5301 -4.71761 TIMING: 1185800 CPU: 3700.17, 0.00312274/step Wall: 3700.17, 0.00312274/step, 3.30855 hours remaining, 234.253906 MB of memory in use. ENERGY: 1185800 3981.3707 20547.6717 14494.3086 238.1867 -203329.3935 2957.4342 0.0000 0.0000 52108.5681 -109001.8536 299.4687 -161110.4217 -108645.7485 299.5111 -148.0312 -121.0247 762523.7242 10.1516 10.1647 PRESSURE: 1186000 -500.091 53.1319 -107 53.1313 47.0991 -17.9185 -107 -17.919 -304.574 GPRESSURE: 1186000 -442.515 -94.4226 5.49377 -11.0364 1.95019 -3.00214 -90.9461 79.8245 -219.277 PRESSAVG: 1186000 11.6399 -21.9377 -28.9239 -21.9376 -37.7707 41.8973 -28.924 41.8973 -27.7418 GPRESSAVG: 1186000 10.0902 -21.9912 -28.7439 -24.4518 -36.0474 41.1468 -27.6388 41.3789 -27.3695 TIMING: 1186000 CPU: 3700.8, 0.00311548/step Wall: 3700.8, 0.00311548/step, 3.30068 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1186000 4013.7568 20647.7173 14530.6653 243.2499 -203507.8658 2812.6681 0.0000 0.0000 52204.4156 -109055.3927 300.0195 -161259.8083 -108688.6095 300.1295 -252.5220 -219.9474 763810.8545 -17.9575 -17.7756 PRESSURE: 1186200 -118.08 64.6828 94.7987 64.6831 328.173 9.9728 94.7981 9.9724 75.6414 GPRESSURE: 1186200 -18.2564 25.9244 25.6403 9.56021 316.667 -38.5004 122.446 86.0044 66.2143 PRESSAVG: 1186200 -27.2782 1.99017 7.74653 1.99014 7.40665 30.3422 7.74655 30.3422 -13.5549 GPRESSAVG: 1186200 -24.625 3.06384 7.50246 2.96595 4.53069 31.7211 6.64805 31.3806 -13.2846 TIMING: 1186200 CPU: 3701.42, 0.00312061/step Wall: 3701.42, 0.00312061/step, 3.30594 hours remaining, 234.253906 MB of memory in use. ENERGY: 1186200 4045.8501 20566.6261 14487.1857 229.6725 -203542.7645 2889.4789 0.0000 0.0000 52298.1395 -109025.8118 300.5581 -161323.9512 -108668.0295 299.8654 95.2451 121.5417 763239.2077 -11.1421 -11.1263 PRESSURE: 1186400 -155.768 -169.72 -21.0406 -169.719 65.2952 -88.309 -21.04 -88.3089 34.2232 GPRESSURE: 1186400 -158.965 -148.385 50.5672 -108.611 97.3945 -152.117 43.1155 -52.5658 85.2258 PRESSAVG: 1186400 -30.5985 -4.0258 -3.00383 -4.02583 36.0752 17.6263 -3.00391 17.6262 -5.86313 GPRESSAVG: 1186400 -32.0495 -4.97882 -3.48456 -3.48049 37.5923 16.9201 -1.63779 18.7314 -5.62303 TIMING: 1186400 CPU: 3702.05, 0.00313087/step Wall: 3702.05, 0.00313087/step, 3.31663 hours remaining, 234.253906 MB of memory in use. ENERGY: 1186400 3989.3425 20608.9135 14457.8172 223.6804 -203189.3077 2764.9518 0.0000 0.0000 52210.3854 -108934.2169 300.0538 -161144.6023 -108574.3310 300.1307 -18.7499 7.8852 762542.9234 -0.1288 -0.0267 PRESSURE: 1186600 326.924 -95.7209 7.37603 -95.7197 -173.417 -369.876 7.37628 -369.876 -254.105 GPRESSURE: 1186600 273.102 -50.7563 -18.4753 -105.833 -34.8404 -368.939 125.727 -388.354 -235.283 PRESSAVG: 1186600 8.64155 -27.34 64.077 -27.34 -19.6268 -7.4351 64.0771 -7.43502 -12.582 GPRESSAVG: 1186600 8.0209 -26.7846 64.3475 -26.3922 -18.3383 -7.9806 62.2045 -8.94524 -12.9183 TIMING: 1186600 CPU: 3702.68, 0.00315343/step Wall: 3702.68, 0.00315343/step, 3.34036 hours remaining, 234.253906 MB of memory in use. ENERGY: 1186600 4080.6594 20419.4177 14418.8093 240.8513 -203106.3797 2486.0977 0.0000 0.0000 52466.5205 -108994.0237 301.5258 -161460.5443 -108630.7769 299.8221 -33.5328 0.9929 763008.7593 -7.8558 -7.7453 PRESSURE: 1186800 254.431 -83.5259 -53.8665 -83.5253 -66.4088 212.043 -53.8661 212.042 331.461 GPRESSURE: 1186800 203.586 36.2896 -87.1703 -38.1615 62.1024 230.683 -147.99 106.987 359.987 PRESSAVG: 1186800 18.6088 26.0831 14.0034 26.0831 -26.4 33.4447 14.0033 33.4446 20.7859 GPRESSAVG: 1186800 18.9975 25.9473 14.3696 24.2999 -26.6103 33.7511 14.304 33.8552 20.8821 TIMING: 1186800 CPU: 3703.31, 0.00313362/step Wall: 3703.31, 0.00313362/step, 3.3192 hours remaining, 234.253906 MB of memory in use. ENERGY: 1186800 3961.0384 20575.8791 14427.8194 246.7352 -203222.0275 2961.1571 0.0000 0.0000 52177.3545 -108872.0438 299.8640 -161049.3983 -108511.4410 299.9809 173.1611 208.5587 763113.2536 4.3316 4.4231 PRESSURE: 1187000 170.691 257.335 -121.346 257.334 108.505 32.4776 -121.346 32.4775 -251.276 GPRESSURE: 1187000 204.203 243.908 -127.688 241.897 139.061 63.0229 -10.3768 53.0413 -232.035 PRESSAVG: 1187000 15.8056 -1.81257 74.2163 -1.81256 -21.7635 -5.17334 74.2162 -5.17335 -9.8334 GPRESSAVG: 1187000 16.2403 -3.98528 72.2543 0.788102 -22.1292 -5.31833 76.0218 -4.37764 -10.1399 TIMING: 1187000 CPU: 3703.93, 0.00313141/step Wall: 3703.93, 0.00313141/step, 3.31668 hours remaining, 234.253906 MB of memory in use. ENERGY: 1187000 4053.4760 20577.3178 14465.1951 239.1909 -203316.9220 2771.8335 0.0000 0.0000 52134.4147 -109075.4941 299.6172 -161209.9088 -108712.8348 299.7290 9.3064 37.0764 763594.9721 -5.2638 -5.3429 PRESSURE: 1187200 -225.786 61.2683 -42.9957 61.2685 -134.046 214.806 -42.9964 214.807 296.003 GPRESSURE: 1187200 -139.355 54.0069 -58.0473 -67.8409 -34.1285 213.045 -164.971 208.062 205.934 PRESSAVG: 1187200 27.7097 29.2638 17.5923 29.2638 -65.8761 20.6863 17.5924 20.6863 -16.3525 GPRESSAVG: 1187200 28.0352 30.8631 19.29 27.4994 -66.7296 20.1353 15.1981 22.5094 -15.6585 TIMING: 1187200 CPU: 3704.56, 0.00312999/step Wall: 3704.56, 0.00312999/step, 3.31501 hours remaining, 234.253906 MB of memory in use. ENERGY: 1187200 3995.2713 20630.6414 14480.0893 255.5986 -202704.0498 2354.5499 0.0000 0.0000 51860.8061 -109127.0931 298.0448 -160987.8992 -108765.1536 299.4830 -21.2762 10.8168 763210.1097 -18.1730 -18.1176 PRESSURE: 1187400 4.04718 -368.068 52.6575 -368.068 103.418 9.9022 52.6574 9.90168 -186.83 GPRESSURE: 1187400 -1.5416 -307.845 125.454 -429.771 153.292 8.70592 36.5684 85.0017 -166.509 PRESSAVG: 1187400 18.0198 -2.92061 3.39102 -2.92067 -18.5864 29.5446 3.39097 29.5446 21.9989 GPRESSAVG: 1187400 16.7904 -3.53084 2.23996 -1.9939 -17.8423 29.3304 6.67241 28.8933 22.6568 TIMING: 1187400 CPU: 3705.18, 0.00311449/step Wall: 3705.18, 0.00311449/step, 3.29841 hours remaining, 234.253906 MB of memory in use. ENERGY: 1187400 4027.7594 20543.2307 14389.3838 240.1308 -202851.2817 2542.8674 0.0000 0.0000 52132.7378 -108975.1716 299.6076 -161107.9095 -108620.5025 299.4770 -26.4549 -4.9194 764972.8556 7.1441 7.2017 PRESSURE: 1187600 -1.37788 -101.909 -89.964 -101.908 -181.831 -70.8483 -89.964 -70.8483 -214.598 GPRESSURE: 1187600 44.4969 -3.40089 -40.0377 -72.0419 -162.574 -138.569 -103.409 34.726 -212.701 PRESSAVG: 1187600 -44.9215 -73.4911 14.0397 -73.4911 42.8234 -0.71176 14.0398 -0.711741 -19.0598 GPRESSAVG: 1187600 -45.3861 -72.0857 15.1199 -73.4142 43.3237 -0.069361 13.1084 -1.92715 -19.756 TIMING: 1187600 CPU: 3705.8, 0.00311278/step Wall: 3705.8, 0.00311278/step, 3.29644 hours remaining, 234.253906 MB of memory in use. ENERGY: 1187600 3991.6972 20585.4206 14393.5525 268.8259 -203162.7499 2733.5365 0.0000 0.0000 52121.1339 -109068.5833 299.5409 -161189.7172 -108710.7333 299.3983 -132.6024 -110.2594 763361.4860 -7.0527 -7.2728 PRESSURE: 1187800 71.9076 -162.345 -28.1666 -162.344 -289.491 -14.7143 -28.1676 -14.7158 -46.7261 GPRESSURE: 1187800 137.063 -195.705 -83.0585 -105.711 -299.297 -20.371 19.4124 -17.3089 -6.55964 PRESSAVG: 1187800 -11.7454 -53.6441 -15.0938 -53.6441 27.59 -18.2039 -15.0939 -18.204 23.0551 GPRESSAVG: 1187800 -12.2515 -55.3845 -14.6829 -53.6486 26.2461 -18.0789 -16.4528 -18.698 24.0989 TIMING: 1187800 CPU: 3706.43, 0.00312903/step Wall: 3706.43, 0.00312903/step, 3.31347 hours remaining, 234.253906 MB of memory in use. ENERGY: 1187800 4013.2087 20586.1721 14441.3218 245.7701 -203110.1503 2604.6163 0.0000 0.0000 52179.2906 -109039.7708 299.8751 -161219.0613 -108682.0398 299.5256 -88.1033 -56.2646 763147.2529 12.9665 12.6978 PRESSURE: 1188000 -199.681 -32.7615 140.855 -32.7619 -219.227 132.687 140.855 132.687 -285.104 GPRESSURE: 1188000 -107.474 96.6108 101.374 -23.5342 -216.267 160.612 138.315 47.9616 -259.401 PRESSAVG: 1188000 42.1402 22.2276 48.9787 22.2276 -47.2445 25.116 48.9788 25.116 -19.4468 GPRESSAVG: 1188000 43.6809 22.404 48.6593 22.4951 -46.4151 23.3264 47.8359 25.7864 -20.941 TIMING: 1188000 CPU: 3707.05, 0.00310528/step Wall: 3707.05, 0.00310528/step, 3.28815 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1188000 3954.2591 20449.6616 14432.4115 273.0567 -203191.8191 2488.9099 0.0000 0.0000 52205.9581 -109387.5622 300.0284 -161593.5203 -109025.9378 298.8447 -234.6707 -194.3803 763199.7813 -8.1837 -7.8917 PRESSURE: 1188200 -203.484 209.306 113.206 209.306 -104.857 -244.899 113.206 -244.9 301.834 GPRESSURE: 1188200 -134.097 162.922 138.965 124.327 -6.14071 -167.616 53.9425 -210.018 241.238 PRESSAVG: 1188200 -7.19536 7.1506 -3.96246 7.15069 5.97062 26.8442 -3.96247 26.8442 2.96366 GPRESSAVG: 1188200 -7.60752 6.51073 -2.8929 7.57014 5.68327 28.7399 -2.22195 26.8348 4.15889 TIMING: 1188200 CPU: 3707.67, 0.00311263/step Wall: 3707.67, 0.00311263/step, 3.29576 hours remaining, 234.253906 MB of memory in use. ENERGY: 1188200 3915.9356 20511.8374 14403.3606 246.4919 -203626.3732 3078.1433 0.0000 0.0000 51848.8861 -109621.7183 297.9763 -161470.6044 -109263.8702 299.0836 -2.1691 33.6668 761249.8576 0.5796 0.7449 LDB: ============= START OF LOAD BALANCING ============== 3720.15 LDB: ============== END OF LOAD BALANCING =============== 3720.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3720.15 LDB: ============= START OF LOAD BALANCING ============== 3720.46 LDB: Largest compute 7010 load 0.031255 is 16.0% of average load 0.195237 LDB: Average compute 0.004375 is 2.2% of average load 0.195237 LDB: TIME 3720.47 LOAD: AVG 0.195237 MAX 0.213561 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.766 MB LDB: TIME 3720.47 LOAD: AVG 0.195237 MAX 0.213561 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.77 MB LDB: TIME 3720.47 LOAD: AVG 0.195237 MAX 0.213561 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.77 MB LDB: ============== END OF LOAD BALANCING =============== 3720.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3720.47 PRESSURE: 1188400 -247.87 -70.4823 -100.821 -70.4815 -80.3003 102.994 -100.822 102.995 11.6614 GPRESSURE: 1188400 -202.956 -53.435 -95.3422 -113.108 -70.1158 78.6943 -113.491 86.5424 35.3577 PRESSAVG: 1188400 -51.0183 -66.0794 -25.2363 -66.0795 57.8719 -20.6033 -25.2363 -20.6033 -1.04143 GPRESSAVG: 1188400 -49.9071 -66.1259 -26.6929 -65.4762 58.6164 -23.6298 -25.2243 -21.1573 -2.572 TIMING: 1188400 CPU: 3708.31, 0.00316787/step Wall: 3708.31, 0.00316787/step, 3.35407 hours remaining, 233.730469 MB of memory in use. ENERGY: 1188400 3929.2307 20264.3895 14439.2796 262.5984 -203541.2702 2645.9022 0.0000 0.0000 52129.1699 -109870.6998 299.5871 -161999.8697 -109508.2034 298.2461 -105.5030 -79.2382 761799.5560 1.9374 2.0458 PRESSURE: 1188600 -138.23 67.0063 -194.689 67.0062 87.9083 77.1928 -194.69 77.1932 247.043 GPRESSURE: 1188600 -70.8963 180.998 -102.881 117.597 138.537 101.94 -108.695 107.006 195.468 PRESSAVG: 1188600 -33.9373 26.2419 -14.6548 26.2419 34.8207 30.3328 -14.6548 30.3328 6.02222 GPRESSAVG: 1188600 -33.0098 26.6788 -14.4509 25.3997 33.2385 32.7133 -14.287 31.2445 6.82153 TIMING: 1188600 CPU: 3708.93, 0.00311616/step Wall: 3708.93, 0.00311616/step, 3.29915 hours remaining, 233.730469 MB of memory in use. ENERGY: 1188600 3963.7569 20415.6325 14322.1951 267.5088 -203220.7109 2812.6123 0.0000 0.0000 51586.8012 -109852.2041 296.4701 -161439.0054 -109490.2086 297.9187 65.5736 87.7027 761181.3278 2.3019 2.3501 PRESSURE: 1188800 -251.433 -10.4528 148.899 -10.4531 90.6102 138.445 148.9 138.445 128.501 GPRESSURE: 1188800 -205.399 -17.8823 122.592 -62.0528 43.2487 39.6894 102.442 214.013 221.431 PRESSAVG: 1188800 -19.4765 1.47131 31.5054 1.47127 56.6992 -15.7624 31.5055 -15.7623 -5.97868 GPRESSAVG: 1188800 -20.1187 1.66566 31.0057 0.737508 57.6775 -14.7356 30.7965 -17.1044 -5.87293 TIMING: 1188800 CPU: 3709.55, 0.00310622/step Wall: 3709.55, 0.00310622/step, 3.28845 hours remaining, 233.730469 MB of memory in use. ENERGY: 1188800 3982.4545 20383.2348 14365.5065 225.2019 -203257.2518 2767.7743 0.0000 0.0000 51542.7931 -109990.2867 296.2171 -161533.0798 -109630.5246 297.1777 -10.7737 19.7604 761587.5238 10.4147 10.5620 PRESSURE: 1189000 19.9843 49.7277 -64.3098 49.7271 139.588 -241.159 -64.3104 -241.16 -83.2464 GPRESSURE: 1189000 101.459 41.5961 -157.28 103.487 196.054 -233.122 -72.2735 -282.163 -135.62 PRESSAVG: 1189000 -14.5683 22.3024 39.2794 22.3024 20.2781 6.01478 39.2794 6.01478 -15.1628 GPRESSAVG: 1189000 -14.9847 21.9787 39.4474 23.0403 20.4676 3.41175 40.9709 6.95557 -14.9935 TIMING: 1189000 CPU: 3710.18, 0.00313992/step Wall: 3710.18, 0.00313992/step, 3.32396 hours remaining, 233.730469 MB of memory in use. ENERGY: 1189000 3947.6808 20436.1781 14397.6064 241.4943 -203264.8218 2767.0776 0.0000 0.0000 51452.6719 -110022.1128 295.6992 -161474.7847 -109670.2044 297.2704 25.4419 53.9646 760377.4438 -3.1510 -3.1702 PRESSURE: 1189200 138.595 20.3867 96.317 20.3873 -262.064 -255.981 96.317 -255.981 39.3599 GPRESSURE: 1189200 45.8711 19.6652 127.333 -67.7699 -125.154 -216.568 112.764 -169.05 66.39 PRESSAVG: 1189200 41.3902 1.36721 -30.0086 1.36719 -51.5837 -38.0078 -30.0086 -38.0077 -16.5289 GPRESSAVG: 1189200 41.9343 0.325318 -31.3469 2.14074 -52.3659 -35.4132 -30.3046 -37.0573 -15.8971 TIMING: 1189200 CPU: 3710.81, 0.00313934/step Wall: 3710.81, 0.00313934/step, 3.32317 hours remaining, 233.730469 MB of memory in use. ENERGY: 1189200 3986.2950 20345.3557 14423.3108 249.0685 -203791.0961 2901.3949 0.0000 0.0000 51883.0782 -110002.5931 298.1728 -161885.6713 -109637.2015 297.5223 -28.0364 -4.2976 761831.2780 -8.9074 -8.7763 PRESSURE: 1189400 -13.4048 -148.436 4.60596 -148.435 275.871 69.676 4.60584 69.6747 108.487 GPRESSURE: 1189400 -11.0593 -97.43 -0.320036 -180.656 260.114 55.677 -14.3461 67.5905 190.053 PRESSAVG: 1189400 -33.07 18.9603 68.5681 18.9604 64.9309 -6.29573 68.5682 -6.29567 2.2532 GPRESSAVG: 1189400 -33.1915 19.4007 68.4876 18.3381 65.2523 -5.79719 68.1256 -8.68182 1.72241 TIMING: 1189400 CPU: 3711.43, 0.00312772/step Wall: 3711.43, 0.00312772/step, 3.31069 hours remaining, 233.730469 MB of memory in use. ENERGY: 1189400 3857.9179 20384.9552 14429.5949 232.8869 -203737.1602 2866.0027 0.0000 0.0000 51762.5746 -110203.2281 297.4802 -161965.8027 -109842.9519 297.3361 123.6511 146.3692 760841.8436 11.3714 11.2611 PRESSURE: 1189600 72.8828 -69.6058 167.175 -69.6063 -240.071 184.263 167.173 184.264 -495.273 GPRESSURE: 1189600 95.9392 25.4117 164.213 -90.903 -143.217 156.355 117.248 187.031 -516.326 PRESSAVG: 1189600 8.33269 17.7872 103.85 17.7872 1.75429 -20.1654 103.85 -20.1653 9.92214 GPRESSAVG: 1189600 8.99215 18.4297 105.999 16.0557 2.45816 -21.3309 103.832 -19.1145 9.12699 TIMING: 1189600 CPU: 3712.06, 0.00312433/step Wall: 3712.06, 0.00312433/step, 3.30693 hours remaining, 233.730469 MB of memory in use. ENERGY: 1189600 3949.2713 20262.4423 14362.7736 243.5737 -203438.4407 2760.5933 0.0000 0.0000 51602.7479 -110257.0387 296.5617 -161859.7865 -109897.9234 296.7135 -220.8203 -187.8680 763018.6147 6.6697 6.8591 PRESSURE: 1189800 -111.464 384.112 62.7361 384.113 4.62026 -108.071 62.7374 -108.072 -325.296 GPRESSURE: 1189800 -121.118 312.113 96.3647 338.676 61.9773 -172.628 70.4347 -111.781 -296.552 PRESSAVG: 1189800 -41.6123 -25.0494 -1.543 -25.0494 36.2968 38.3246 -1.54301 38.3247 -0.432954 GPRESSAVG: 1189800 -42.7023 -25.9942 -2.17058 -23.1815 35.0806 37.5897 -0.477906 38.5108 1.26795 TIMING: 1189800 CPU: 3712.68, 0.00311717/step Wall: 3712.68, 0.00311717/step, 3.29917 hours remaining, 233.730469 MB of memory in use. ENERGY: 1189800 3987.4024 20332.9867 14437.5287 271.9484 -203327.8096 2645.8619 0.0000 0.0000 51706.6922 -109945.3893 297.1591 -161652.0814 -109587.9467 296.8861 -144.0468 -118.5643 762797.7004 -1.9162 -2.1179 PRESSURE: 1190000 37.3794 -152.037 20.5955 -152.038 -319.267 179.414 20.596 179.413 181.375 GPRESSURE: 1190000 32.2673 -82.9527 65.4888 -133.302 -243.369 206.85 89.6682 133.946 194.045 PRESSAVG: 1190000 5.04661 -21.7041 33.4719 -21.7042 -31.1068 12.9251 33.4718 12.9252 0.945896 GPRESSAVG: 1190000 5.26531 -21.2129 35.2811 -24.5932 -31.7728 12.6572 31.211 13.3926 1.69882 TIMING: 1190000 CPU: 3713.3, 0.00311707/step Wall: 3713.3, 0.00311707/step, 3.2989 hours remaining, 233.730469 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: 1190000 3951.1450 20385.4129 14427.8563 269.5617 -203257.1725 2643.0973 0.0000 0.0000 51752.4919 -109827.6073 297.4223 -161580.0992 -109476.6555 297.3546 -33.5042 -5.6856 764424.3780 -8.3714 -8.2695 PRESSURE: 1190200 -301.542 -98.0717 -84.2484 -98.0726 -220.154 132.838 -84.2489 132.838 -177.506 GPRESSURE: 1190200 -183.092 -36.7315 -169.789 -10.2754 -306.993 19.6023 -8.72133 97.4773 -111.426 PRESSAVG: 1190200 17.9969 -32.7986 50.6533 -32.7986 -30.7951 -3.18955 50.6533 -3.18955 16.7049 GPRESSAVG: 1190200 17.8058 -32.9863 47.5044 -29.2216 -30.2122 -3.64238 50.5728 -4.14433 16.3666 TIMING: 1190200 CPU: 3713.93, 0.00311697/step Wall: 3713.93, 0.00311697/step, 3.29862 hours remaining, 233.730469 MB of memory in use. ENERGY: 1190200 4054.9322 20307.2718 14357.2808 242.0320 -203216.2128 2670.7807 0.0000 0.0000 51708.7869 -109875.1284 297.1711 -161583.9154 -109521.5818 297.7086 -233.0671 -200.5036 762723.1187 1.3022 1.3201 PRESSURE: 1190400 -263.846 -120.653 77.6748 -120.653 403.721 90.6554 77.6747 90.6551 -29.5168 GPRESSURE: 1190400 -155.229 -49.8085 55.1063 -122.932 370.659 -5.78542 79.8375 129.991 -24.7933 PRESSAVG: 1190400 6.81506 -37.6616 100.45 -37.6616 -62.8065 -25.1782 100.45 -25.1782 35.3617 GPRESSAVG: 1190400 6.6926 -36.986 100.97 -37.5957 -62.4489 -25.5466 100.945 -23.055 35.1995 TIMING: 1190400 CPU: 3714.55, 0.00312277/step Wall: 3714.55, 0.00312277/step, 3.30459 hours remaining, 233.730469 MB of memory in use. ENERGY: 1190400 4017.8112 20466.0685 14436.3751 229.8688 -203606.5557 2851.0966 0.0000 0.0000 51833.2824 -109772.0531 297.8866 -161605.3354 -109407.4568 297.4042 36.7862 63.5452 761629.9232 -6.8766 -6.8523 PRESSURE: 1190600 -205.046 -146.519 48.2869 -146.52 -208.38 241.121 48.2885 241.121 -38.3404 GPRESSURE: 1190600 -114.504 -64.2329 77.1427 -21.4504 -157.858 330.405 97.6928 128.332 -89.46 PRESSAVG: 1190600 0.934892 16.7541 35.7664 16.7541 32.4174 -41.8045 35.7663 -41.8045 -3.0534 GPRESSAVG: 1190600 1.32848 16.5275 35.2393 15.9819 31.9492 -40.9535 35.1675 -44.3222 -3.15545 TIMING: 1190600 CPU: 3715.18, 0.00313008/step Wall: 3715.18, 0.00313008/step, 3.31214 hours remaining, 233.730469 MB of memory in use. ENERGY: 1190600 3971.1538 20478.4767 14441.6590 235.8260 -202733.2744 2396.2694 0.0000 0.0000 51558.4473 -109651.4423 296.3071 -161209.8895 -109295.0963 297.8028 -150.5890 -120.6071 761321.1866 10.0996 10.0407 PRESSURE: 1190800 54.867 20.0722 231.149 20.0725 32.1288 139.432 231.149 139.431 17.2318 GPRESSURE: 1190800 106.559 -8.41259 269.01 18.2797 67.9922 64.8403 217.268 106.251 16.9606 PRESSAVG: 1190800 15.251 -32.2609 25.9154 -32.2609 21.6727 -29.2844 25.9154 -29.2844 -8.91586 GPRESSAVG: 1190800 15.7006 -31.8027 28.2955 -34.0126 22.1999 -28.4143 26.0148 -28.7118 -9.47137 TIMING: 1190800 CPU: 3715.8, 0.00310846/step Wall: 3715.8, 0.00310846/step, 3.2891 hours remaining, 233.730469 MB of memory in use. ENERGY: 1190800 3979.3827 20367.0240 14439.9811 230.0875 -203524.2026 2720.6522 0.0000 0.0000 52136.7182 -109650.3568 299.6304 -161787.0750 -109282.4925 298.1969 34.7426 63.8374 762410.0183 9.3360 9.4764 PRESSURE: 1191000 188.196 204.509 -55.0849 204.509 130.475 149.209 -55.0861 149.209 194.034 GPRESSURE: 1191000 212.161 101.076 82.1125 150.431 99.901 45.7851 95.1719 258.775 251.124 PRESSAVG: 1191000 -71.1049 6.9753 91.4943 6.97525 91.5332 -8.32983 91.4943 -8.3299 3.38244 GPRESSAVG: 1191000 -70.8515 6.52344 91.7764 8.93777 90.1042 -9.46311 92.7308 -6.02472 3.97268 TIMING: 1191000 CPU: 3716.42, 0.00311482/step Wall: 3716.42, 0.00311482/step, 3.29565 hours remaining, 233.730469 MB of memory in use. ENERGY: 1191000 3929.5677 20403.5537 14332.3563 233.8657 -203212.0241 2791.2831 0.0000 0.0000 51990.7645 -109530.6330 298.7916 -161521.3975 -109164.8606 298.0340 170.9018 187.7286 763095.7065 7.9369 7.7418 PRESSURE: 1191200 250.437 50.0077 -207.47 50.0082 226.967 26.322 -207.47 26.3219 -441.621 GPRESSURE: 1191200 221.24 7.19305 -187.175 -34.9704 294.306 45.011 -106.562 -3.34191 -391.018 PRESSAVG: 1191200 0.70498 -55.5328 -11.2636 -55.5328 -38.6127 -36.7813 -11.2636 -36.7813 25.6847 GPRESSAVG: 1191200 -0.346958 -56.6931 -12.2286 -54.4754 -37.4729 -37.0852 -10.9272 -38.7708 25.768 TIMING: 1191200 CPU: 3717.05, 0.00311702/step Wall: 3717.05, 0.00311702/step, 3.2978 hours remaining, 233.730469 MB of memory in use. ENERGY: 1191200 3919.7568 20668.2032 14432.7196 246.2218 -203702.3643 3010.9759 0.0000 0.0000 51921.3479 -109503.1391 298.3927 -161424.4870 -109137.3257 298.9155 11.9274 41.5093 763159.5092 -4.0743 -4.0173 PRESSURE: 1191400 -388.907 41.9439 58.427 41.9442 289.235 -359.095 58.4282 -359.096 44.1491 GPRESSURE: 1191400 -310.805 -0.905958 98.9991 -8.42644 345.376 -374.438 4.88777 -401.263 -2.34588 PRESSAVG: 1191400 -12.2299 -17.5356 -30.4823 -17.5356 52.3051 -7.54216 -30.4824 -7.54215 -11.6368 GPRESSAVG: 1191400 -12.0898 -16.0549 -31.6656 -20.2586 52.7812 -8.21301 -31.1112 -5.3621 -11.5835 TIMING: 1191400 CPU: 3717.67, 0.00313372/step Wall: 3717.67, 0.00313372/step, 3.3153 hours remaining, 233.730469 MB of memory in use. ENERGY: 1191400 4002.9169 20473.1944 14349.4448 238.2179 -202859.4058 2378.1809 0.0000 0.0000 51943.5166 -109473.9343 298.5201 -161417.4509 -109115.7081 299.0227 -18.5074 10.7415 763122.0079 9.4794 9.7026 PRESSURE: 1191600 88.8763 -60.5887 80.4717 -60.5875 144.678 63.2443 80.4717 63.2434 -19.1625 GPRESSURE: 1191600 140.024 -141.032 74.841 8.99864 106.744 -13.4792 65.6342 62.1863 20.4598 PRESSAVG: 1191600 -33.5125 -41.0186 -18.0835 -41.0187 44.372 -17.641 -18.0834 -17.6411 -4.78955 GPRESSAVG: 1191600 -32.2325 -40.36 -17.4489 -39.0497 43.0912 -16.58 -18.0007 -20.5002 -5.39409 TIMING: 1191600 CPU: 3718.3, 0.00312863/step Wall: 3718.3, 0.00312863/step, 3.30974 hours remaining, 233.730469 MB of memory in use. ENERGY: 1191600 3940.3587 20519.7137 14443.1256 238.8898 -203727.8945 3071.5545 0.0000 0.0000 52073.2532 -109440.9989 299.2657 -161514.2522 -109074.9425 299.0359 71.4638 89.0759 763331.8124 2.0233 1.8215 PRESSURE: 1191800 20.6932 -184.364 -10.2272 -184.363 -335.556 91.2907 -10.2272 91.2907 80.0383 GPRESSURE: 1191800 -15.4121 -118.514 42.3363 -138.818 -247.493 149.513 -53.1596 164.195 110.786 PRESSAVG: 1191800 -35.6572 -26.1723 30.7349 -26.1723 30.7898 -43.8008 30.7349 -43.8008 6.03249 GPRESSAVG: 1191800 -35.9677 -27.6113 30.5414 -26.2134 31.5543 -43.34 31.7535 -46.0967 6.79174 TIMING: 1191800 CPU: 3718.92, 0.00312706/step Wall: 3718.92, 0.00312706/step, 3.30791 hours remaining, 233.730469 MB of memory in use. ENERGY: 1191800 3985.0344 20565.0445 14400.0816 254.5637 -203474.8581 2758.7192 0.0000 0.0000 52110.8939 -109400.5208 299.4820 -161511.4147 -109043.6721 298.6721 -78.2748 -50.7064 764179.2765 0.3884 0.7928 PRESSURE: 1192000 8.64335 -36.0261 5.99624 -36.0261 -259.601 15.9856 5.99628 15.9849 37.729 GPRESSURE: 1192000 -44.5298 5.03667 67.7757 -12.4024 -156.304 -42.376 4.63235 23.99 72.7713 PRESSAVG: 1192000 14.4101 -32.0412 -13.1927 -32.0412 -42.0527 -53.5364 -13.1927 -53.5365 -1.35463 GPRESSAVG: 1192000 14.4129 -31.3172 -12.8454 -33.5712 -42.9788 -53.8517 -13.6786 -53.8147 -1.01315 TIMING: 1192000 CPU: 3719.55, 0.00311755/step Wall: 3719.55, 0.00311755/step, 3.29768 hours remaining, 233.730469 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: 1192000 4129.3844 20482.7651 14473.6401 235.9930 -203568.1387 3007.2906 0.0000 0.0000 51951.1050 -109287.9605 298.5637 -161239.0655 -108934.6678 299.2318 -71.0761 -42.6874 765445.6858 -9.6657 -9.8597 PRESSURE: 1192200 -67.9716 -178.731 -116.002 -178.731 -228.468 -245.71 -116.002 -245.709 -36.2443 GPRESSURE: 1192200 -145.004 -132.832 -155.107 -133.45 -161.423 -225.222 -216.559 -216.494 27.0788 PRESSAVG: 1192200 42.8551 -66.666 -36.4719 -66.666 -26.0664 -47.5329 -36.4719 -47.5328 31.7453 GPRESSAVG: 1192200 43.1333 -69.7641 -36.1847 -63.8365 -25.2019 -49.8526 -37.0626 -43.3437 31.1475 TIMING: 1192200 CPU: 3720.17, 0.0031323/step Wall: 3720.17, 0.0031323/step, 3.3131 hours remaining, 233.730469 MB of memory in use. ENERGY: 1192200 3961.9572 20549.1287 14436.7923 259.4394 -202996.1369 2828.6559 0.0000 0.0000 51845.0103 -109115.1530 297.9540 -160960.1632 -108760.6288 298.8815 -110.8947 -93.1162 766253.3101 16.1780 16.3596 LDB: ============= START OF LOAD BALANCING ============== 3732.65 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3732.65 LDB: =============== DONE WITH MIGRATION ================ 3732.65 LDB: ============= START OF LOAD BALANCING ============== 3732.97 LDB: Largest compute 7010 load 0.030040 is 15.4% of average load 0.195035 LDB: Average compute 0.004392 is 2.3% of average load 0.195035 LDB: TIME 3732.97 LOAD: AVG 0.195035 MAX 0.212998 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.785 MB LDB: TIME 3732.97 LOAD: AVG 0.195035 MAX 0.212998 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.855 MB LDB: TIME 3732.97 LOAD: AVG 0.195035 MAX 0.212998 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.855 MB LDB: ============== END OF LOAD BALANCING =============== 3732.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3732.98 PRESSURE: 1192400 -172.484 19.1889 210.545 19.1894 -30.3974 41.3269 210.544 41.3264 -113.788 GPRESSURE: 1192400 -125.184 53.9317 223.37 88.2667 -48.6939 23.2769 202.223 50.9337 -57.4654 PRESSAVG: 1192400 -3.97377 2.24395 -46.322 2.24403 -23.1234 -12.3534 -46.322 -12.3534 9.17164 GPRESSAVG: 1192400 -3.03933 5.04312 -46.4628 1.51248 -24.7827 -10.9742 -46.1833 -15.8821 9.3052 TIMING: 1192400 CPU: 3720.81, 0.00319511/step Wall: 3720.81, 0.00319511/step, 3.37936 hours remaining, 234.105469 MB of memory in use. ENERGY: 1192400 3950.1905 20642.8585 14401.9659 255.5727 -203381.5389 3006.0533 0.0000 0.0000 51757.9957 -109366.9024 297.4539 -161124.8981 -109010.9909 298.7565 -105.5565 -77.1143 764477.3506 -5.9752 -6.1723 PRESSURE: 1192600 -47.6208 46.6748 26.7226 46.6757 12.5817 6.47133 26.7219 6.47098 -164.207 GPRESSURE: 1192600 -30.9211 89.0967 29.421 30.1554 -48.2221 72.5967 90.2422 53.5155 -53.6447 PRESSAVG: 1192600 6.91606 11.3251 -33.7769 11.3252 -33.2322 -44.1947 -33.7769 -44.1948 -3.6054 GPRESSAVG: 1192600 6.54388 12.9394 -34.4335 9.90337 -32.3772 -44.979 -34.2291 -41.1948 -4.13508 TIMING: 1192600 CPU: 3721.44, 0.00311817/step Wall: 3721.44, 0.00311817/step, 3.29781 hours remaining, 234.308594 MB of memory in use. ENERGY: 1192600 3985.4232 20517.2002 14508.5109 257.4865 -202920.0966 2642.2327 0.0000 0.0000 51819.8868 -109189.3564 297.8096 -161009.2432 -108824.0685 298.6776 -66.4153 -44.2626 765365.6821 -9.9739 -9.9895 PRESSURE: 1192800 300.422 -32.7809 -98.469 -32.7812 361.263 131.185 -98.468 131.186 476.406 GPRESSURE: 1192800 282.573 -50.6601 -77.058 33.2038 350.697 133.758 -50.0073 40.6302 573.842 PRESSAVG: 1192800 -33.4163 18.7453 -2.39368 18.7453 10.4768 13.5818 -2.39367 13.5818 33.8335 GPRESSAVG: 1192800 -33.4711 17.3988 -1.23112 19.706 11.4594 13.9975 -1.2289 10.408 33.1817 TIMING: 1192800 CPU: 3722.06, 0.00312596/step Wall: 3722.06, 0.00312596/step, 3.30588 hours remaining, 234.308594 MB of memory in use. ENERGY: 1192800 3900.7202 20541.3929 14458.2096 250.0501 -203498.2035 3168.7337 0.0000 0.0000 52174.4117 -109004.6853 299.8471 -161179.0970 -108642.8169 298.8079 379.3634 402.3706 763427.3376 3.6313 3.7233 PRESSURE: 1193000 364.123 130.622 23.2208 130.623 21.6185 26.5948 23.2203 26.5956 -29.1918 GPRESSURE: 1193000 309.188 209.146 -35.491 35.6847 121.03 47.0589 2.2284 15.8741 -7.26973 PRESSAVG: 1193000 -15.2789 16.1788 9.98977 16.1787 33.3 15.2117 9.98979 15.2119 -3.77259 GPRESSAVG: 1193000 -15.8851 16.8097 10.7791 15.9776 32.723 15.9332 9.05517 16.0632 -2.46781 TIMING: 1193000 CPU: 3722.69, 0.00311965/step Wall: 3722.69, 0.00311964/step, 3.29902 hours remaining, 234.308594 MB of memory in use. ENERGY: 1193000 4077.4845 20607.0981 14469.1112 267.7276 -202687.4449 2504.1001 0.0000 0.0000 51839.8313 -108922.0920 297.9242 -160761.9233 -108567.0002 299.2740 118.8499 140.9830 763820.1103 4.7495 4.7900 PRESSURE: 1193200 76.6488 -134.548 417.201 -134.548 71.9501 -94.9564 417.201 -94.9558 299.871 GPRESSURE: 1193200 99.4184 -146.504 293.004 -177.534 123.07 -102.47 226.55 -54.3188 297.962 PRESSAVG: 1193200 -3.36221 -22.7326 -43.6168 -22.7327 -8.38717 -22.3661 -43.6167 -22.3662 -9.75272 GPRESSAVG: 1193200 -3.39321 -22.5035 -46.2065 -23.4227 -6.60434 -25.2981 -44.5271 -20.7523 -11.6613 TIMING: 1193200 CPU: 3723.31, 0.00312143/step Wall: 3723.31, 0.00312143/step, 3.30073 hours remaining, 234.308594 MB of memory in use. ENERGY: 1193200 3970.3953 20602.3499 14441.4813 248.4816 -202575.1190 2547.2465 0.0000 0.0000 51788.8146 -108976.3497 297.6310 -160765.1643 -108623.7333 299.5588 149.4901 173.4836 764212.4861 -7.1674 -7.2196 PRESSURE: 1193400 -102.013 24.2387 -166.507 24.2383 206.999 20.0651 -166.507 20.064 291.917 GPRESSURE: 1193400 23.8976 -101.443 -209.367 100.609 150.365 -1.27973 -133.431 5.85394 304.625 PRESSAVG: 1193400 -41.1415 -16.9072 -46.3601 -16.9072 29.1931 3.81384 -46.3601 3.8139 -6.8188 GPRESSAVG: 1193400 -41.2483 -16.6585 -46.12 -17.5881 28.0811 6.435 -44.8102 3.38339 -5.542 TIMING: 1193400 CPU: 3723.94, 0.00312811/step Wall: 3723.94, 0.00312811/step, 3.30763 hours remaining, 234.308594 MB of memory in use. ENERGY: 1193400 4069.8011 20462.6997 14437.9856 245.4630 -202979.6307 2702.5103 0.0000 0.0000 52198.8648 -108862.3062 299.9876 -161061.1710 -108496.0166 299.5025 132.3012 159.6290 764978.2487 -6.2557 -6.2364 PRESSURE: 1193600 33.1312 -28.5236 -168.442 -28.5232 125.585 -34.73 -168.442 -34.73 35.6065 GPRESSURE: 1193600 16.6623 -36.1118 -88.4148 58.2408 148.487 -137.519 -206.236 53.7965 115.129 PRESSAVG: 1193600 7.22547 -7.59258 21.2724 -7.59251 -27.8462 -45.483 21.2725 -45.483 -16.5908 GPRESSAVG: 1193600 7.92582 -9.20927 23.1656 -3.95993 -28.4117 -46.6866 21.4411 -45.1782 -17.1959 TIMING: 1193600 CPU: 3724.56, 0.00313456/step Wall: 3724.56, 0.00313456/step, 3.31428 hours remaining, 234.308594 MB of memory in use. ENERGY: 1193600 4051.6094 20585.2994 14497.7874 246.8505 -203143.5673 2820.5746 0.0000 0.0000 51901.1652 -109040.2807 298.2767 -160941.4460 -108680.9449 300.1189 64.7743 93.4259 762034.2744 -12.4039 -12.5606 PRESSURE: 1193800 91.2366 -113.617 114.711 -113.616 91.605 -63.8359 114.711 -63.8363 96.515 GPRESSURE: 1193800 48.9547 -106.659 61.4005 -149.829 138.382 -128.178 54.2082 -42.8177 202.727 PRESSAVG: 1193800 7.89649 44.8771 32.9709 44.8771 11.7486 11.9673 32.9709 11.9672 0.684593 GPRESSAVG: 1193800 6.64588 45.6169 31.47 43.8112 11.7844 12.7813 32.5237 12.4655 2.19712 TIMING: 1193800 CPU: 3725.19, 0.0031217/step Wall: 3725.19, 0.0031217/step, 3.3005 hours remaining, 234.308594 MB of memory in use. ENERGY: 1193800 3962.1026 20451.7982 14411.1853 238.1379 -203353.1128 2985.9927 0.0000 0.0000 52295.2565 -109008.6397 300.5416 -161303.8962 -108642.1750 300.0334 93.1189 130.0212 762457.7970 6.7766 6.8758 PRESSURE: 1194000 -258.736 36.2948 -107.902 36.2951 -298.761 371.303 -107.902 371.303 255.665 GPRESSURE: 1194000 -215.164 15.1578 -28.3279 49.7949 -342.991 298.51 -105.329 237.699 327.966 PRESSAVG: 1194000 32.3355 -36.8864 4.17414 -36.8864 -27.4293 9.25306 4.17412 9.25312 -19.3308 GPRESSAVG: 1194000 31.5918 -35.5483 2.78888 -38.9908 -27.0958 9.79005 3.14115 8.92947 -19.111 TIMING: 1194000 CPU: 3725.81, 0.00311297/step Wall: 3725.81, 0.00311297/step, 3.29111 hours remaining, 234.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1194000 4023.1235 20534.9571 14391.3061 247.3416 -203204.7062 2621.7961 0.0000 0.0000 52069.8880 -109316.2938 299.2464 -161386.1817 -108954.5611 299.0063 -100.6105 -76.7293 764385.0261 -4.8082 -4.8717 PRESSURE: 1194200 549.31 64.2153 162.046 64.2147 74.7458 -216.801 162.045 -216.801 -155.402 GPRESSURE: 1194200 616.9 -42.1157 182.306 40.2914 77.3352 -167.659 154.222 -208.02 -145.502 PRESSAVG: 1194200 7.71079 -25.1569 -35.9191 -25.157 7.97766 -8.69577 -35.9191 -8.69575 4.78986 GPRESSAVG: 1194200 10.3523 -28.5281 -33.1003 -23.2545 6.72743 -9.72828 -34.4217 -8.40364 3.58649 TIMING: 1194200 CPU: 3726.43, 0.00311455/step Wall: 3726.43, 0.00311455/step, 3.29259 hours remaining, 234.308594 MB of memory in use. ENERGY: 1194200 3967.3793 20522.0484 14494.8486 250.2548 -203325.7614 2871.2516 0.0000 0.0000 51918.3129 -109301.6658 298.3753 -161219.9786 -108946.1497 299.3047 156.2177 182.9113 762266.3776 6.8261 6.8888 PRESSURE: 1194400 428.812 -224.604 29.1813 -224.605 19.3671 71.7161 29.1817 71.716 120.593 GPRESSURE: 1194400 449.917 -149.18 -32.4949 -184.808 32.4972 90.7474 85.1321 -48.274 165.557 PRESSAVG: 1194400 5.28367 13.2788 58.2263 13.2788 -39.7983 -2.29426 58.2263 -2.29427 -1.23991 GPRESSAVG: 1194400 4.67585 16.638 57.3881 13.6207 -39.0265 -0.135946 57.8306 -2.96591 -1.06702 TIMING: 1194400 CPU: 3727.05, 0.0031055/step Wall: 3727.05, 0.0031055/step, 3.28285 hours remaining, 234.308594 MB of memory in use. ENERGY: 1194400 3917.6352 20470.6961 14447.0919 243.7500 -203156.3704 2873.8721 0.0000 0.0000 51981.5687 -109221.7564 298.7388 -161203.3251 -108857.0817 298.8165 189.5907 215.9903 762822.4717 -11.9182 -11.8059 PRESSURE: 1194600 101.305 165.972 63.8931 165.972 80.0785 -196.105 63.8921 -196.107 227.83 GPRESSURE: 1194600 153.079 149.044 112.832 101.242 146.816 -222.668 56.6188 -96.7574 182.921 PRESSAVG: 1194600 36.164 9.73874 28.2807 9.73869 -29.294 -22.4517 28.2807 -22.4516 28.717 GPRESSAVG: 1194600 35.721 8.96997 27.4046 10.4431 -28.3613 -22.9875 27.072 -23.4122 28.3522 TIMING: 1194600 CPU: 3727.68, 0.0031132/step Wall: 3727.68, 0.0031132/step, 3.29083 hours remaining, 234.308594 MB of memory in use. ENERGY: 1194600 4034.8957 20590.7558 14460.1462 240.5983 -203472.2159 3140.5688 0.0000 0.0000 51903.5538 -109101.6975 298.2904 -161005.2512 -108746.5436 298.7891 136.4045 160.9388 762376.0614 11.8623 11.9040 PRESSURE: 1194800 -133.924 11.9749 -121.498 11.9749 38.3322 -72.941 -121.497 -72.942 -48.5777 GPRESSURE: 1194800 -100.252 -68.7089 -121.657 -71.6777 43.6366 -23.4969 -60.1531 -0.0253538 -8.1571 PRESSAVG: 1194800 -26.068 -8.67801 -10.3521 -8.67795 50.8915 35.1177 -10.3521 35.1176 9.41324 GPRESSAVG: 1194800 -26.7685 -9.03348 -10.4349 -9.92023 50.2979 33.8444 -8.39265 37.9895 10.2968 TIMING: 1194800 CPU: 3728.3, 0.00311662/step Wall: 3728.3, 0.00311662/step, 3.29427 hours remaining, 234.308594 MB of memory in use. ENERGY: 1194800 3909.3623 20581.8455 14456.8691 257.4879 -203076.2805 2578.5034 0.0000 0.0000 52106.3571 -109185.8552 299.4560 -161292.2124 -108829.4584 298.8214 -48.0566 -21.5909 763336.9437 11.4123 11.2754 PRESSURE: 1195000 377.942 -88.9688 80.3662 -88.9697 80.971 172.44 80.3654 172.44 528.979 GPRESSURE: 1195000 413.951 61.4057 84.6742 -20.3353 167.227 218.822 69.0159 84.1375 500.214 PRESSAVG: 1195000 26.345 43.2461 30.4321 43.246 -25.9802 -9.05284 30.4321 -9.05281 8.26608 GPRESSAVG: 1195000 27.9357 44.6466 31.1607 42.8826 -26.2876 -6.639 30.4315 -12.0747 6.79969 TIMING: 1195000 CPU: 3728.92, 0.00312514/step Wall: 3728.92, 0.00312514/step, 3.3031 hours remaining, 234.308594 MB of memory in use. ENERGY: 1195000 3954.3212 20474.4951 14457.2360 250.4364 -203244.5611 2894.9925 0.0000 0.0000 51946.3554 -109266.7244 298.5364 -161213.0798 -108922.3966 299.6205 329.2975 360.4639 761896.0769 2.8769 2.8159 PRESSURE: 1195200 -18.9152 -43.8187 173.711 -43.8189 -103.186 198.948 173.711 198.948 -293.895 GPRESSURE: 1195200 9.80079 -65.6495 164.421 84.3048 -100.816 202.104 54.0359 224.931 -230.531 PRESSAVG: 1195200 -15.0838 -13.167 -9.61686 -13.167 -9.50433 25.5401 -9.61686 25.5401 -4.78477 GPRESSAVG: 1195200 -15.9582 -14.1601 -10.1066 -11.6257 -9.84279 23.967 -10.8355 26.0014 -3.75287 TIMING: 1195200 CPU: 3729.55, 0.00313137/step Wall: 3729.55, 0.00313137/step, 3.30951 hours remaining, 234.308594 MB of memory in use. ENERGY: 1195200 3968.4607 20642.0681 14440.7305 266.6874 -203168.9211 2672.1562 0.0000 0.0000 52051.9846 -109126.8336 299.1435 -161178.8181 -108774.9432 298.8523 -138.6656 -107.1822 763958.6198 -9.7910 -9.8513 PRESSURE: 1195400 117.738 68.329 -0.834231 68.3291 -474.069 73.9019 -0.834707 73.9017 54.3915 GPRESSURE: 1195400 179.92 42.894 22.8975 153.642 -453.168 -7.77242 -141.371 163.353 28.605 PRESSAVG: 1195400 92.6281 -25.037 -6.61177 -25.0371 -74.5901 34.5111 -6.61176 34.5111 -4.42947 GPRESSAVG: 1195400 92.9319 -23.0325 -6.73556 -27.3098 -75.1621 34.7052 -7.69965 34.786 -4.54579 TIMING: 1195400 CPU: 3730.17, 0.0031199/step Wall: 3730.17, 0.0031199/step, 3.29721 hours remaining, 234.308594 MB of memory in use. ENERGY: 1195400 3990.6734 20597.7680 14467.2038 250.4005 -203087.2519 2744.4779 0.0000 0.0000 51868.9239 -109167.8044 298.0914 -161036.7283 -108812.2322 299.5382 -100.6465 -81.5477 763750.2062 4.5362 4.4080 PRESSURE: 1195600 -56.498 66.8236 72.7495 66.8227 96.2956 157.449 72.7483 157.449 -426.971 GPRESSURE: 1195600 -41.9991 82.0694 51.8654 17.0281 123.488 219.452 25.0402 151.323 -379.365 PRESSAVG: 1195600 -38.7964 -17.7489 57.8246 -17.7489 39.0584 77.9369 57.8247 77.9369 -7.40345 GPRESSAVG: 1195600 -39.58 -18.8419 56.7043 -15.2102 40.2613 76.3948 59.8787 77.8922 -7.28925 TIMING: 1195600 CPU: 3730.8, 0.00311403/step Wall: 3730.8, 0.00311403/step, 3.29084 hours remaining, 234.308594 MB of memory in use. ENERGY: 1195600 4023.0030 20487.3631 14401.6504 239.6245 -203433.3752 2816.2105 0.0000 0.0000 52163.6689 -109301.8547 299.7853 -161465.5236 -108940.2080 299.1416 -129.0578 -99.2918 762119.2049 -2.3805 -2.2027 PRESSURE: 1195800 239.014 -29.5831 5.80458 -29.583 223.478 -133.451 5.80471 -133.451 13.034 GPRESSURE: 1195800 317.449 -58.0346 56.0848 -59.9418 269.58 -114.398 -24.1794 -91.201 -18.3724 PRESSAVG: 1195800 -3.77576 4.94616 42.358 4.94621 1.81802 71.4939 42.358 71.494 26.1479 GPRESSAVG: 1195800 -3.07676 3.65143 43.8177 2.01695 1.65488 72.8832 41.4987 70.2665 26.2403 TIMING: 1195800 CPU: 3731.42, 0.00312219/step Wall: 3731.42, 0.0031222/step, 3.29929 hours remaining, 234.308594 MB of memory in use. ENERGY: 1195800 3914.5170 20527.5646 14437.8371 254.2864 -203878.5535 3114.6574 0.0000 0.0000 52302.5810 -109327.1100 300.5837 -161629.6910 -108968.6856 299.3502 158.5085 189.5524 764141.9421 8.0634 8.2728 PRESSURE: 1196000 -32.6533 -21.9162 124.326 -21.9159 -329.973 281.141 124.326 281.14 -276.572 GPRESSURE: 1196000 17.7695 -93.2366 122.691 -94.1539 -289.09 295.119 209.607 197.058 -278.505 PRESSAVG: 1196000 10.8617 -25.6492 61.8039 -25.6492 -3.89435 6.23616 61.8038 6.2361 -15.5953 GPRESSAVG: 1196000 11.2529 -24.8776 61.8544 -24.8934 -3.98421 6.32369 60.4459 4.59965 -15.675 TIMING: 1196000 CPU: 3732.05, 0.00312327/step Wall: 3732.05, 0.00312327/step, 3.30025 hours remaining, 234.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1196000 3954.0721 20524.7312 14442.2707 255.0224 -203044.5030 2394.0931 0.0000 0.0000 52272.6808 -109201.6328 300.4118 -161474.3136 -108828.8869 299.3851 -213.0661 -183.2751 764264.3028 -2.8760 -2.8021 PRESSURE: 1196200 142.973 -48.9764 67.5802 -48.9774 93.7738 -244.562 67.58 -244.563 8.6278 GPRESSURE: 1196200 150.866 -76.4354 48.1 9.88196 71.6234 -214.493 -24.5401 -243.454 89.7185 PRESSAVG: 1196200 33.8935 23.546 44.9628 23.546 11.5055 43.4249 44.9629 43.4249 23.611 GPRESSAVG: 1196200 32.7259 23.3628 43.3721 24.7269 11.3148 43.2924 45.3512 45.9374 24.3833 TIMING: 1196200 CPU: 3732.67, 0.00313686/step Wall: 3732.67, 0.00313686/step, 3.31444 hours remaining, 234.308594 MB of memory in use. ENERGY: 1196200 4020.9029 20630.7172 14532.1908 251.9869 -203678.2734 2985.9060 0.0000 0.0000 52018.3223 -109238.2473 298.9500 -161256.5696 -108885.3238 299.5640 81.7914 104.0693 761706.0925 23.0033 22.8080 LDB: ============= START OF LOAD BALANCING ============== 3745.15 LDB: ============== END OF LOAD BALANCING =============== 3745.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3745.15 LDB: ============= START OF LOAD BALANCING ============== 3745.47 LDB: Largest compute 7021 load 0.028892 is 14.8% of average load 0.195163 LDB: Average compute 0.004377 is 2.2% of average load 0.195163 LDB: TIME 3745.47 LOAD: AVG 0.195163 MAX 0.212335 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.949 MB LDB: TIME 3745.47 LOAD: AVG 0.195163 MAX 0.212335 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.043 MB LDB: TIME 3745.47 LOAD: AVG 0.195163 MAX 0.212335 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.043 MB LDB: ============== END OF LOAD BALANCING =============== 3745.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3745.48 PRESSURE: 1196400 -391.734 -134.286 118.014 -134.286 -240.194 -49.6852 118.014 -49.6848 -19.4253 GPRESSURE: 1196400 -401.872 -79.1608 99.2135 -36.4226 -147.675 -38.605 162.899 162.495 -32.7606 PRESSAVG: 1196400 8.43116 13.1368 46.4169 13.1368 -45.2256 23.2094 46.4169 23.2095 -7.23215 GPRESSAVG: 1196400 8.57836 13.9005 46.657 11.9335 -43.5979 22.1274 47.3379 23.5653 -9.27481 TIMING: 1196400 CPU: 3733.31, 0.00318541/step Wall: 3733.31, 0.00318541/step, 3.36556 hours remaining, 234.312500 MB of memory in use. ENERGY: 1196400 4047.1534 20487.3608 14507.2737 246.5545 -203303.4307 2768.8863 0.0000 0.0000 51885.1011 -109361.1008 298.1844 -161246.2020 -108996.4982 298.9737 -217.1177 -194.1024 764401.2527 -14.6755 -14.7648 PRESSURE: 1196600 -69.2533 80.8331 267.872 80.8337 -72.4426 -73.243 267.871 -73.2443 -41.4256 GPRESSURE: 1196600 -104.66 114.372 302.642 -27.2908 43.7611 -53.9631 208.913 -36.5313 -45.5565 PRESSAVG: 1196600 -56.8531 -48.2032 -6.32386 -48.2033 83.8623 0.846254 -6.32382 0.846205 -10.5297 GPRESSAVG: 1196600 -57.1097 -48.1565 -4.69624 -48.9566 82.9526 2.44512 -7.24895 -0.261131 -9.09655 TIMING: 1196600 CPU: 3733.94, 0.0031217/step Wall: 3733.94, 0.0031217/step, 3.29808 hours remaining, 234.515625 MB of memory in use. ENERGY: 1196600 3921.7084 20487.6518 14415.1578 244.5635 -203195.8328 2774.9245 0.0000 0.0000 52023.6875 -109328.1393 298.9808 -161351.8268 -108977.8483 298.9297 -61.0405 -35.4852 765448.2193 5.4932 5.5821 PRESSURE: 1196800 74.3887 20.7841 238.318 20.784 29.0375 47.9598 238.318 47.9598 573.243 GPRESSURE: 1196800 132.421 -106.311 214.335 121.054 48.7973 -4.25381 136.976 0.194844 573.1 PRESSAVG: 1196800 -66.3017 -30.4272 -26.0413 -30.4272 46.0027 59.2359 -26.0413 59.236 32.9347 GPRESSAVG: 1196800 -64.8771 -32.6351 -26.6519 -28.9387 44.9671 58.2387 -25.86 58.0403 32.3521 TIMING: 1196800 CPU: 3734.56, 0.00311634/step Wall: 3734.56, 0.00311634/step, 3.29224 hours remaining, 234.515625 MB of memory in use. ENERGY: 1196800 3902.4562 20554.0564 14481.0685 228.1070 -202953.2838 2804.6198 0.0000 0.0000 51679.6170 -109303.3589 297.0035 -160982.9759 -108948.5651 298.2363 225.5565 251.4394 764886.2324 4.2119 4.1474 PRESSURE: 1197000 -53.8416 97.3077 268.08 97.307 250.281 157.592 268.079 157.593 -85.1033 GPRESSURE: 1197000 -37.3005 64.0596 340.695 193.1 239.126 166.954 271.609 161.012 -35.3962 PRESSAVG: 1197000 1.71206 26.4423 35.1905 26.4423 12.6524 27.5746 35.1905 27.5745 10.4656 GPRESSAVG: 1197000 0.707372 28.5303 34.7301 26.6324 13.4092 27.0649 35.714 29.5117 9.65475 TIMING: 1197000 CPU: 3735.18, 0.00311974/step Wall: 3735.18, 0.00311974/step, 3.29566 hours remaining, 234.515625 MB of memory in use. ENERGY: 1197000 3930.4668 20478.7792 14399.0848 271.9842 -202898.5298 2634.2418 0.0000 0.0000 51892.2735 -109291.6995 298.2256 -161183.9730 -108927.8472 298.6665 37.1120 55.4765 763774.0620 8.2767 7.9238 PRESSURE: 1197200 414.204 177.768 96.3103 177.769 112.552 -87.569 96.3096 -87.5689 336.731 GPRESSURE: 1197200 426.604 107.095 62.5818 211.844 202.896 -65.7192 71.3894 -120.338 327.162 PRESSAVG: 1197200 -14.7724 37.2138 54.1779 37.2138 -4.66137 52.3653 54.178 52.3654 -0.85739 GPRESSAVG: 1197200 -15.2155 36.816 52.3733 33.7346 -4.9539 51.9801 53.9053 52.0933 -0.242581 TIMING: 1197200 CPU: 3735.81, 0.00311673/step Wall: 3735.81, 0.00311672/step, 3.2923 hours remaining, 234.515625 MB of memory in use. ENERGY: 1197200 3932.3084 20408.6085 14457.1378 260.1175 -203115.7769 2832.9774 0.0000 0.0000 51974.7065 -109249.9208 298.6994 -161224.6273 -108890.1812 298.6571 287.8290 318.8873 762311.4340 -6.7637 -6.8040 PRESSURE: 1197400 181.567 28.3175 -166.688 28.3179 -8.77113 -185.986 -166.687 -185.985 253.686 GPRESSURE: 1197400 179.372 129.654 -129.849 64.636 52.3196 -146.389 -171.749 27.6949 297.455 PRESSAVG: 1197400 -10.9275 1.37948 -8.23453 1.37947 39.687 -15.0487 -8.23444 -15.0487 3.73308 GPRESSAVG: 1197400 -10.0331 2.29638 -7.73056 2.68589 39.0541 -14.2426 -8.61748 -16.6396 3.47343 TIMING: 1197400 CPU: 3736.43, 0.0031199/step Wall: 3736.43, 0.0031199/step, 3.29548 hours remaining, 234.515625 MB of memory in use. ENERGY: 1197400 3938.5706 20412.9973 14416.6163 238.2900 -203462.8868 3167.1242 0.0000 0.0000 52158.7727 -109130.5157 299.7572 -161289.2884 -108765.7964 299.0820 142.1607 176.3823 762069.9886 10.8309 10.8315 PRESSURE: 1197600 395.424 -136.824 -77.9095 -136.824 -75.3882 0.799211 -77.9092 0.799104 131.852 GPRESSURE: 1197600 394.33 -119.171 -21.0189 -187.352 -5.13165 39.7821 -25.3134 -1.57612 155.881 PRESSAVG: 1197600 27.9431 -77.0359 -2.93024 -77.036 -36.2134 28.4141 -2.93025 28.4142 -7.38434 GPRESSAVG: 1197600 27.6906 -78.281 -0.548509 -75.8822 -35.9589 28.3122 -2.7404 30.5354 -7.58424 TIMING: 1197600 CPU: 3737.05, 0.00310989/step Wall: 3737.05, 0.00310989/step, 3.28473 hours remaining, 234.515625 MB of memory in use. ENERGY: 1197600 3949.4031 20366.4991 14481.5405 258.0815 -203249.2921 2659.9864 0.0000 0.0000 52383.6379 -109150.1436 301.0495 -161533.7816 -108786.2531 299.1360 150.6292 181.6933 762915.6406 -5.2182 -5.2842 PRESSURE: 1197800 111.657 13.4752 -1.95401 13.4749 136.058 66.5999 -1.95449 66.5997 235.072 GPRESSURE: 1197800 161.35 17.5385 28.055 1.73149 170.113 39.4264 24.5924 16.9666 236.069 PRESSAVG: 1197800 12.9697 -25.4295 8.83516 -25.4295 -6.22776 19.8991 8.83511 19.8991 -1.56349 GPRESSAVG: 1197800 12.6974 -26.3027 7.23692 -24.2921 -5.4858 20.8767 8.16096 19.285 -2.2209 TIMING: 1197800 CPU: 3737.68, 0.00313726/step Wall: 3737.68, 0.00313726/step, 3.31347 hours remaining, 234.515625 MB of memory in use. ENERGY: 1197800 3940.0731 20505.0693 14521.3519 258.6640 -202717.8749 2456.2471 0.0000 0.0000 51816.9617 -109219.5078 297.7928 -161036.4695 -108866.1468 299.2413 160.9288 189.1774 763953.3925 1.7261 1.6636 PRESSURE: 1198000 -98.1318 131.534 -283.383 131.534 -156.2 155.202 -283.384 155.201 75.2681 GPRESSURE: 1198000 -119.317 170.13 -348.646 257.281 -63.2573 140.361 -339.813 -0.913095 70.8764 PRESSAVG: 1198000 59.6506 -9.49701 3.44561 -9.497 -53.2578 26.9702 3.44563 26.9702 5.60729 GPRESSAVG: 1198000 59.5991 -7.73864 4.54674 -8.84634 -54.084 26.0929 3.49913 25.6166 6.75665 TIMING: 1198000 CPU: 3738.3, 0.00312479/step Wall: 3738.3, 0.00312479/step, 3.30013 hours remaining, 234.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1198000 3981.3404 20525.0502 14466.8229 254.9084 -203363.0027 2766.9249 0.0000 0.0000 52002.0552 -109365.9008 298.8565 -161367.9559 -109006.2067 299.1458 -59.6880 -37.2325 763515.0646 4.0001 4.0906 PRESSURE: 1198200 -124.377 12.7386 -46.6462 12.7387 -95.7333 178.242 -46.6465 178.241 -9.10025 GPRESSURE: 1198200 -47.7468 28.5502 4.18223 65.1445 -115.849 148.153 -98.0065 144.057 -1.51852 PRESSAVG: 1198200 40.8948 -30.9205 3.01407 -30.9205 -54.8124 13.9087 3.01411 13.9088 -25.5404 GPRESSAVG: 1198200 41.1438 -32.4102 1.41032 -32.0879 -55.189 14.2889 2.2494 16.0476 -25.3295 TIMING: 1198200 CPU: 3738.93, 0.00310735/step Wall: 3738.93, 0.00310735/step, 3.28153 hours remaining, 234.515625 MB of memory in use. ENERGY: 1198200 4017.0577 20451.9351 14383.6236 250.2844 -203132.9298 2640.8149 0.0000 0.0000 51983.8976 -109405.3166 298.7522 -161389.2141 -109040.0143 298.8453 -76.4034 -55.0381 765140.9811 -13.1526 -13.1249 PRESSURE: 1198400 -18.753 -52.0677 -5.26098 -52.0673 -68.3276 222.379 -5.26097 222.379 269.737 GPRESSURE: 1198400 81.354 3.75681 -82.6747 59.171 -41.8138 255.656 -5.79941 301.829 216.155 PRESSAVG: 1198400 -15.0999 -45.6613 38.7255 -45.6613 68.2773 6.39031 38.7254 6.39034 16.3204 GPRESSAVG: 1198400 -14.8186 -43.1078 38.1328 -47.1302 69.0077 6.68963 41.8886 7.50488 15.4205 TIMING: 1198400 CPU: 3739.55, 0.00309748/step Wall: 3739.55, 0.00309748/step, 3.27093 hours remaining, 234.515625 MB of memory in use. ENERGY: 1198400 4037.7584 20433.1284 14439.0260 252.0159 -203543.9643 2935.4609 0.0000 0.0000 51984.8286 -109461.7461 298.7575 -161446.5746 -109091.0563 298.7235 60.8856 85.2317 762247.4895 23.1659 23.2032 PRESSURE: 1198600 -49.2171 143.888 208.357 143.888 -64.7219 -116.292 208.356 -116.291 -245.074 GPRESSURE: 1198600 72.3995 9.8266 278.157 125.416 -51.1394 -56.31 163.049 -111.967 -285.386 PRESSAVG: 1198600 11.5568 17.1779 15.2093 17.1779 19.0856 50.3364 15.2093 50.3364 15.5347 GPRESSAVG: 1198600 12.1944 17.0134 15.207 17.4797 18.0992 49.3731 12.3105 48.8633 15.7271 TIMING: 1198600 CPU: 3740.17, 0.00312062/step Wall: 3740.17, 0.00312062/step, 3.2952 hours remaining, 234.515625 MB of memory in use. ENERGY: 1198600 4000.0338 20442.4618 14440.9839 242.0352 -203291.5886 2884.8484 0.0000 0.0000 52064.9643 -109216.2611 299.2181 -161281.2254 -108864.3614 299.2790 -119.6711 -88.0421 762447.9557 15.3923 15.3402 PRESSURE: 1198800 505.385 163.364 -76.1576 163.365 -79.3966 8.38062 -76.1576 8.37978 -31.4733 GPRESSURE: 1198800 426.378 91.0445 -61.0983 72.7775 36.1875 16.0278 126.561 -96.8977 1.40346 PRESSAVG: 1198800 8.66242 36.5083 42.4428 36.5084 -35.614 3.67202 42.4428 3.67204 -10.2234 GPRESSAVG: 1198800 8.21242 33.3619 43.0987 35.5076 -35.5941 5.0584 43.9438 1.69542 -9.60669 TIMING: 1198800 CPU: 3740.79, 0.00312205/step Wall: 3740.79, 0.00312205/step, 3.29654 hours remaining, 234.515625 MB of memory in use. ENERGY: 1198800 3960.0003 20595.7032 14496.1942 240.3685 -203052.3042 2567.5710 0.0000 0.0000 51856.5098 -109335.9572 298.0201 -161192.4670 -108987.2647 298.7866 131.5051 154.6562 762619.0016 -12.3917 -12.3294 PRESSURE: 1199000 -291.173 -121.235 -78.2256 -121.235 -46.5573 17.2639 -78.2251 17.2649 83.5387 GPRESSURE: 1199000 -227.71 -87.5328 -4.25212 -34.5582 -18.6523 65.0161 -133.204 96.9809 67.9518 PRESSAVG: 1199000 18.8745 -14.1164 4.52751 -14.1165 -5.27253 4.66888 4.52754 4.66889 5.2706 GPRESSAVG: 1199000 16.9406 -12.4974 5.93605 -11.7399 -5.18267 4.72419 3.21952 4.78614 6.33894 TIMING: 1199000 CPU: 3741.42, 0.00312648/step Wall: 3741.42, 0.00312648/step, 3.30104 hours remaining, 234.515625 MB of memory in use. ENERGY: 1199000 3981.8375 20388.6183 14499.8056 234.7057 -202922.0133 2543.5131 0.0000 0.0000 51863.5660 -109409.9671 298.0606 -161273.5331 -109044.7769 298.3866 -84.7305 -59.4701 764978.5375 6.2909 6.0323 PRESSURE: 1199200 269.659 -154.819 -38.5339 -154.819 171.328 -265.441 -38.5348 -265.441 32.527 GPRESSURE: 1199200 177.701 -81.9987 19.2308 -164.97 350.479 -216.424 -61.8648 -151.915 14.9763 PRESSAVG: 1199200 -68.3536 -37.806 10.7461 -37.8059 3.34965 26.2253 10.7462 26.2254 -6.27039 GPRESSAVG: 1199200 -67.4345 -36.2232 8.35776 -38.9723 4.83648 25.9722 11.1449 26.6543 -8.44457 TIMING: 1199200 CPU: 3742.04, 0.00309878/step Wall: 3742.04, 0.00309878/step, 3.27162 hours remaining, 234.515625 MB of memory in use. ENERGY: 1199200 4034.3347 20440.7309 14454.1838 248.3853 -203259.4227 2812.0188 0.0000 0.0000 51854.1890 -109415.5804 298.0067 -161269.7693 -109066.6985 298.3033 157.8379 181.0518 763370.0043 -23.7581 -23.6809 PRESSURE: 1199400 -87.1891 -130.556 4.20469 -130.558 164.541 357.098 4.20384 357.099 -6.14811 GPRESSURE: 1199400 -48.051 -61.4631 8.66064 -216.832 166.249 334.35 -23.5435 191.354 25.9565 PRESSAVG: 1199400 -12.3795 -18.4078 5.99622 -18.4078 -47.2326 44.1573 5.99621 44.1574 6.29718 GPRESSAVG: 1199400 -12.4091 -19.1893 7.07389 -17.8747 -48.9207 44.9879 6.30826 45.2937 7.64739 TIMING: 1199400 CPU: 3742.66, 0.00311714/step Wall: 3742.66, 0.00311714/step, 3.29084 hours remaining, 234.515625 MB of memory in use. ENERGY: 1199400 3949.8087 20610.5881 14463.2599 244.6585 -203305.2347 2902.8142 0.0000 0.0000 51887.3725 -109246.7327 298.1974 -161134.1052 -108897.3662 298.7592 23.7344 48.0514 764182.0925 -17.7716 -17.8941 PRESSURE: 1199600 -349.136 -216.559 112.631 -216.559 170.55 110.743 112.629 110.743 -314.673 GPRESSURE: 1199600 -284.936 -194.232 197.137 -174.363 186.785 119.284 52.6592 172.534 -308.229 PRESSAVG: 1199600 12.1357 -9.15217 -11.7178 -9.15217 -9.02229 33.0824 -11.7178 33.0824 38.0942 GPRESSAVG: 1199600 12.9921 -12.3519 -11.0307 -9.33835 -8.81458 32.7403 -10.728 32.6379 37.263 TIMING: 1199600 CPU: 3743.29, 0.00311892/step Wall: 3743.29, 0.00311892/step, 3.29254 hours remaining, 234.515625 MB of memory in use. ENERGY: 1199600 3913.2564 20688.5803 14435.0991 227.2746 -203196.0946 2704.4403 0.0000 0.0000 51995.5959 -109231.8478 298.8194 -161227.4438 -108881.9160 299.2855 -164.4194 -135.4602 764339.8489 13.7359 13.8135 PRESSURE: 1199800 -115.421 -261.66 123.245 -261.66 34.473 131.555 123.244 131.554 -99.245 GPRESSURE: 1199800 -133.937 -346.762 109.398 -220.056 110.642 -16.1719 55.4447 78.2069 -72.8889 PRESSAVG: 1199800 -2.41074 -10.1358 -23.605 -10.1358 2.15056 38.9183 -23.6049 38.9184 -4.70155 GPRESSAVG: 1199800 -3.10134 -5.87037 -25.8728 -10.7093 2.08324 37.7086 -24.7886 37.8408 -3.2947 TIMING: 1199800 CPU: 3743.91, 0.00310393/step Wall: 3743.91, 0.00310393/step, 3.27654 hours remaining, 234.515625 MB of memory in use. ENERGY: 1199800 3995.4736 20583.2879 14403.6959 233.1854 -203305.0882 2830.8424 0.0000 0.0000 52190.9416 -109067.6613 299.9421 -161258.6029 -108704.9566 299.2666 -60.0643 -32.0615 762031.5613 -1.6539 -1.4376 PRESSURE: 1200000 33.5372 137.974 206.82 137.974 -55.5498 -145.762 206.821 -145.762 0.417129 GPRESSURE: 1200000 19.3534 201.757 187.272 115.108 33.812 -101.448 120.982 -225.865 -2.88321 PRESSAVG: 1200000 -60.9494 16.8567 -28.9353 16.8567 31.5596 43.2803 -28.9352 43.2803 -0.0909592 GPRESSAVG: 1200000 -60.5704 14.4086 -29.5574 20.0114 31.8827 43.6293 -28.782 45.3659 -0.960128 TIMING: 1200000 CPU: 3744.53, 0.00312667/step Wall: 3744.53, 0.00312667/step, 3.30037 hours remaining, 234.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1200000 4012.1651 20563.0504 14410.1297 242.8419 -203205.0195 2658.0639 0.0000 0.0000 52310.6966 -109008.0719 300.6303 -161318.7685 -108640.3878 299.4204 -7.1985 16.7608 763734.9573 -9.8269 -9.8826 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1200000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1200000 WRITING COORDINATES TO RESTART FILE AT STEP 1200000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1200000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1200200 -113.524 59.1692 213.502 59.1691 140.255 187.839 213.503 187.838 -34.8326 GPRESSURE: 1200200 -107.318 -11.409 159.447 -52.8937 82.705 159.039 100.026 183.909 98.9536 PRESSAVG: 1200200 -27.0129 10.4225 44.2715 10.4225 21.3534 24.865 44.2715 24.865 5.32115 GPRESSAVG: 1200200 -27.3295 11.2136 45.9802 8.45118 21.1705 25.0883 43.9625 23.4337 6.10129 TIMING: 1200200 CPU: 3745.19, 0.00326891/step Wall: 3745.19, 0.00326891/step, 3.45034 hours remaining, 234.515625 MB of memory in use. ENERGY: 1200200 3969.2155 20546.3418 14480.7068 253.4353 -203262.2434 2873.6629 0.0000 0.0000 51941.8420 -109197.0391 298.5105 -161138.8810 -108839.3202 299.4641 -2.7007 24.7803 762943.0125 -0.1128 -0.0192 LDB: ============= START OF LOAD BALANCING ============== 3757.67 LDB: ============== END OF LOAD BALANCING =============== 3757.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3757.67 LDB: ============= START OF LOAD BALANCING ============== 3757.98 LDB: Largest compute 7010 load 0.031320 is 16.1% of average load 0.195133 LDB: Average compute 0.004387 is 2.2% of average load 0.195133 LDB: TIME 3757.99 LOAD: AVG 0.195133 MAX 0.214759 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.367 MB LDB: TIME 3757.99 LOAD: AVG 0.195133 MAX 0.214759 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.57 MB LDB: TIME 3757.99 LOAD: AVG 0.195133 MAX 0.214759 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.57 MB LDB: ============== END OF LOAD BALANCING =============== 3757.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3757.99 PRESSURE: 1200400 -113.999 99.8734 266.224 99.8744 -306.718 -3.81646 266.223 -3.81578 64.8073 GPRESSURE: 1200400 -52.979 95.3156 283.951 174.022 -233.851 24.9193 243.704 -14.4311 9.17683 PRESSAVG: 1200400 20.0078 68.7817 25.6685 68.7816 8.26699 15.2372 25.6685 15.2372 -2.66516 GPRESSAVG: 1200400 19.9352 69.6144 25.7153 69.1627 8.1898 15.0113 25.1911 16.3899 -2.44016 TIMING: 1200400 CPU: 3745.83, 0.00320645/step Wall: 3745.83, 0.00320645/step, 3.38423 hours remaining, 234.253906 MB of memory in use. ENERGY: 1200400 4052.7263 20479.5026 14485.0043 245.0040 -203403.9150 2970.0402 0.0000 0.0000 52123.7472 -109047.8903 299.5559 -161171.6375 -108690.5300 299.5353 -118.6367 -92.5510 762881.4785 8.5365 8.5616 PRESSURE: 1200600 52.3857 -79.0874 -143.041 -79.0873 42.6226 2.49551 -143.041 2.49469 -167.289 GPRESSURE: 1200600 117.459 -153.114 -166.143 -111.692 75.3977 64.4528 -160.365 -4.75878 -191.769 PRESSAVG: 1200600 -38.3535 10.0069 34.0125 10.007 5.76681 42.6089 34.0126 42.6089 17.3346 GPRESSAVG: 1200600 -38.5949 7.59643 33.2679 10.0809 5.47735 42.0651 35.8867 45.9578 17.4243 TIMING: 1200600 CPU: 3746.45, 0.00313265/step Wall: 3746.45, 0.00313265/step, 3.30616 hours remaining, 234.253906 MB of memory in use. ENERGY: 1200600 4018.5306 20445.6719 14488.9964 259.1902 -203153.4456 2942.2691 0.0000 0.0000 51804.5717 -109194.2157 297.7216 -160998.7874 -108837.3065 299.5618 -24.0934 0.3624 762920.6740 -5.0840 -5.2311 PRESSURE: 1200800 -385.189 -1.96929 4.95303 -1.97049 -139.644 108.713 4.95283 108.713 17.9656 GPRESSURE: 1200800 -310.311 45.39 33.2726 -5.28212 -157.765 83.2584 38.6475 153.303 51.0092 PRESSAVG: 1200800 -14.9015 -13.1271 31.7466 -13.1271 32.4994 -1.09017 31.7466 -1.09005 1.47013 GPRESSAVG: 1200800 -14.4021 -12.7595 32.723 -12.1836 31.9578 -1.91555 29.3456 -3.2597 1.29904 TIMING: 1200800 CPU: 3747.08, 0.00313518/step Wall: 3747.08, 0.00313518/step, 3.30866 hours remaining, 234.253906 MB of memory in use. ENERGY: 1200800 4004.7171 20497.5019 14448.0242 266.3184 -202915.8673 2429.4827 0.0000 0.0000 52274.3698 -108995.4532 300.4215 -161269.8230 -108628.8018 299.5896 -168.9558 -139.0222 762818.9673 6.3560 6.2849 PRESSURE: 1201000 586.821 -162.873 -8.3191 -162.874 159.362 -89.6913 -8.32014 -89.6899 164.873 GPRESSURE: 1201000 591.58 -180.396 7.80421 -52.3936 256.414 -79.9984 54.2727 -57.6727 149.761 PRESSAVG: 1201000 -2.81977 -43.8301 -2.04039 -43.83 -23.1579 -22.9448 -2.04038 -22.9449 -4.88298 GPRESSAVG: 1201000 -3.2377 -42.5464 -2.84639 -43.5111 -21.9054 -21.7882 -0.358386 -22.5874 -5.83997 TIMING: 1201000 CPU: 3747.71, 0.00314593/step Wall: 3747.71, 0.00314593/step, 3.31983 hours remaining, 234.253906 MB of memory in use. ENERGY: 1201000 3949.0967 20514.7583 14451.1203 258.0916 -203756.9839 2981.8083 0.0000 0.0000 52597.9860 -109004.1227 302.2813 -161602.1087 -108630.2168 299.8222 303.6855 332.5848 762159.0862 -10.2869 -10.3277 PRESSURE: 1201200 443.352 137.857 39.6285 137.856 101.455 226.031 39.629 226.032 67.0698 GPRESSURE: 1201200 406.58 111.333 -4.80903 88.9566 199.931 144.246 19.1619 178.056 58.734 PRESSAVG: 1201200 -27.3999 5.90885 7.60325 5.90885 25.7865 2.4664 7.60324 2.46647 6.60206 GPRESSAVG: 1201200 -28.1951 6.18567 8.71099 5.18995 25.6183 3.12287 5.56912 1.23162 7.36443 TIMING: 1201200 CPU: 3748.34, 0.003136/step Wall: 3748.34, 0.003136/step, 3.30917 hours remaining, 234.253906 MB of memory in use. ENERGY: 1201200 3999.0475 20555.1429 14420.8357 248.1979 -203442.8316 2716.7697 0.0000 0.0000 52379.8876 -109122.9503 301.0279 -161502.8379 -108764.5365 300.0970 203.9589 221.7485 760594.7347 1.6629 1.5959 PRESSURE: 1201400 -247.628 -320.825 110.884 -320.825 30.4769 68.6699 110.884 68.6706 625.573 GPRESSURE: 1201400 -91.792 -324.259 86.011 -252.585 -11.0788 123.195 144.94 153.434 589.717 PRESSAVG: 1201400 -40.6507 9.26627 -1.5945 9.26626 24.2655 -42.1206 -1.59453 -42.1206 -3.04221 GPRESSAVG: 1201400 -40.099 8.82026 -1.50546 8.5387 22.7681 -42.4158 2.11264 -40.9819 -2.32365 TIMING: 1201400 CPU: 3748.97, 0.00314193/step Wall: 3748.97, 0.00314193/step, 3.31526 hours remaining, 234.253906 MB of memory in use. ENERGY: 1201400 4043.8307 20527.4190 14511.2844 247.9167 -203296.0123 2687.8298 0.0000 0.0000 52049.3192 -109228.4125 299.1282 -161277.7317 -108861.3069 300.0405 136.1408 162.2819 761385.3899 -6.4758 -6.5515 PRESSURE: 1201600 -96.2449 36.9163 -172.619 36.9175 -23.8364 -172.617 -172.619 -172.617 163.369 GPRESSURE: 1201600 -77.8657 -84.1053 -200.072 115.14 -26.8657 -125.555 -102.971 -140.285 218.94 PRESSAVG: 1201600 -19.5615 -61.4292 22.2613 -61.4293 23.6428 12.1976 22.2613 12.1976 4.25432 GPRESSAVG: 1201600 -19.062 -61.0739 21.9359 -62.0895 23.6483 12.3622 19.4661 12.5624 3.22784 TIMING: 1201600 CPU: 3749.59, 0.00311282/step Wall: 3749.59, 0.00311282/step, 3.28437 hours remaining, 234.253906 MB of memory in use. ENERGY: 1201600 3994.0932 20395.2549 14480.0885 235.9160 -203142.6680 2626.7667 0.0000 0.0000 52147.1068 -109263.4419 299.6901 -161410.5487 -108886.2649 299.2512 14.4293 38.0694 761310.6115 2.7786 2.6047 PRESSURE: 1201800 54.4868 -264.415 -39.6936 -264.415 -143.741 -31.0044 -39.6935 -31.0046 -109.268 GPRESSURE: 1201800 73.0653 -227.171 26.187 -301.295 -101.708 -30.4163 -58.1637 -71.8575 -76.982 PRESSAVG: 1201800 6.15159 -64.6072 -11.1689 -64.6072 2.7133 28.8529 -11.1689 28.8529 -3.25211 GPRESSAVG: 1201800 5.7901 -63.3406 -10.5019 -63.861 3.06435 27.6968 -11.5175 28.6819 -3.17243 TIMING: 1201800 CPU: 3750.21, 0.00310594/step Wall: 3750.21, 0.00310594/step, 3.27693 hours remaining, 234.253906 MB of memory in use. ENERGY: 1201800 3952.9005 20634.7256 14454.8443 240.2446 -203409.6742 2688.2034 0.0000 0.0000 52126.2307 -109312.5251 299.5702 -161438.7558 -108948.7015 299.5360 -66.1741 -35.2083 760872.0986 1.8709 1.8940 PRESSURE: 1202000 -422.601 100.069 22.5953 100.069 236.687 4.20557 22.595 4.20612 -615.363 GPRESSURE: 1202000 -367.87 48.9474 112.385 136.785 192.859 61.1067 69.5792 0.249749 -529.425 PRESSAVG: 1202000 0.0311061 -12.9168 -43.4046 -12.9168 -1.34186 55.8455 -43.4045 55.8456 -18.1938 GPRESSAVG: 1202000 0.657478 -13.6153 -43.4716 -10.9513 -1.93798 57.9844 -43.5319 54.1171 -18.3104 TIMING: 1202000 CPU: 3750.84, 0.00313614/step Wall: 3750.84, 0.00313614/step, 3.30863 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1202000 4112.9319 20460.0637 14420.2616 240.1650 -203109.2947 2482.3531 0.0000 0.0000 52265.8078 -109127.7117 300.3723 -161393.5194 -108767.4148 299.2101 -267.0926 -234.8123 761077.8190 -6.5015 -6.5303 PRESSURE: 1202200 -81.2252 -40.2809 -76.1444 -40.2803 -193.721 91.2431 -76.144 91.2416 276.997 GPRESSURE: 1202200 -92.0001 45.5413 5.68904 58.4027 -126.319 69.1255 -222.452 38.7318 301.928 PRESSAVG: 1202200 -37.9167 -16.5581 -25.0295 -16.5582 21.2365 -6.45214 -25.0295 -6.45219 5.22818 GPRESSAVG: 1202200 -38.7763 -17.9012 -23.2152 -18.8309 21.5609 -7.44055 -22.0285 -5.92483 5.39642 TIMING: 1202200 CPU: 3751.47, 0.00314925/step Wall: 3751.47, 0.00314925/step, 3.32229 hours remaining, 234.253906 MB of memory in use. ENERGY: 1202200 4011.0590 20600.4045 14474.8531 250.6813 -202969.1421 2668.4294 0.0000 0.0000 51952.7365 -109010.9784 298.5731 -160963.7149 -108647.8566 299.3197 0.6835 27.8695 762009.9311 -3.8174 -3.9397 PRESSURE: 1202400 -167.002 53.376 11.2175 53.3752 -123.324 304.739 11.2165 304.739 99.7009 GPRESSURE: 1202400 -115.883 138.222 59.0245 51.7494 -90.5171 305.762 -114.382 206.77 114.198 PRESSAVG: 1202400 -12.53 3.94824 48.021 3.94825 -5.80755 4.52586 48.0209 4.52595 -16.1607 GPRESSAVG: 1202400 -12.5061 5.56192 46.2222 5.26771 -6.00563 5.65494 46.0674 3.50089 -15.7795 TIMING: 1202400 CPU: 3752.09, 0.00313562/step Wall: 3752.09, 0.00313562/step, 3.30773 hours remaining, 234.253906 MB of memory in use. ENERGY: 1202400 3990.8667 20540.8974 14402.1619 238.4452 -203164.3441 2756.6133 0.0000 0.0000 52248.5402 -108986.8194 300.2731 -161235.3596 -108614.8989 299.7159 -63.5417 -30.7342 762175.3799 -11.4994 -11.4304 PRESSURE: 1202600 -149.633 13.7744 -140.312 13.7738 -192.79 -109.033 -140.312 -109.033 -120.252 GPRESSURE: 1202600 -98.9463 4.9722 -93.134 45.2874 -237.527 -23.4815 -82.6074 -92.6061 -64.2405 PRESSAVG: 1202600 -19.7999 -9.76435 29.2844 -9.76432 30.2734 -29.3115 29.2844 -29.3115 -10.4505 GPRESSAVG: 1202600 -18.879 -11.146 27.459 -10.3537 29.9419 -31.4415 30.2782 -26.8992 -11.4786 TIMING: 1202600 CPU: 3752.71, 0.00309598/step Wall: 3752.71, 0.00309598/step, 3.26574 hours remaining, 234.253906 MB of memory in use. ENERGY: 1202600 4081.9968 20569.4781 14466.4974 271.6314 -203168.5939 2756.9890 0.0000 0.0000 52114.4631 -108907.5380 299.5025 -161022.0011 -108545.7623 300.1669 -154.2252 -133.5711 761850.8374 0.0077 -0.1386 PRESSURE: 1202800 -95.4719 -60.4676 -133.51 -60.4681 -206.975 73.7416 -133.509 73.7423 -195.562 GPRESSURE: 1202800 -148.671 1.73021 -64.355 -77.4416 -125.837 196.694 -61.3202 21.6565 -149.808 PRESSAVG: 1202800 -28.3542 -9.28382 -0.885768 -9.28379 27.2164 30.3769 -0.885682 30.3769 9.02488 GPRESSAVG: 1202800 -29.0268 -7.65022 0.336548 -8.90705 27.4636 32.877 -0.128281 29.1212 9.54186 TIMING: 1202800 CPU: 3753.33, 0.00311101/step Wall: 3753.33, 0.00311101/step, 3.28142 hours remaining, 234.253906 MB of memory in use. ENERGY: 1202800 4045.1052 20591.3777 14404.5129 239.1606 -202985.2683 2445.9528 0.0000 0.0000 52233.2017 -109025.9574 300.1849 -161259.1591 -108653.0552 300.1440 -166.0031 -141.4388 759859.7687 2.6290 2.6596 PRESSURE: 1203000 -374.986 -4.98491 -75.2366 -4.98457 102.314 102.296 -75.2365 102.295 -14.8275 GPRESSURE: 1203000 -310.809 -41.6356 -64.8979 -34.237 132.869 143.694 29.9458 92.7962 -20.1636 PRESSAVG: 1203000 -52.1917 -28.45 -11.311 -28.45 75.0156 49.474 -11.311 49.474 16.21 GPRESSAVG: 1203000 -53.962 -28.504 -11.1694 -30.88 76.6564 49.6265 -12.7107 50.3852 16.5665 TIMING: 1203000 CPU: 3753.96, 0.00312162/step Wall: 3753.96, 0.00312162/step, 3.29244 hours remaining, 234.253906 MB of memory in use. ENERGY: 1203000 4016.1870 20391.9102 14461.5289 234.2163 -203182.1711 2569.3734 0.0000 0.0000 52248.1928 -109260.7626 300.2711 -161508.9554 -108889.7925 300.0813 -95.8331 -66.0344 759580.1135 13.0113 13.0869 PRESSURE: 1203200 -22.0432 -186.412 141.431 -186.412 -380.709 -29.7826 141.431 -29.7824 179.171 GPRESSURE: 1203200 70.9778 -133.874 143.348 -70.3945 -295.242 -108.434 61.7237 8.5558 107.093 PRESSAVG: 1203200 -61.148 -15.7561 16.6719 -15.756 31.2167 -5.00661 16.6719 -5.00668 3.09735 GPRESSAVG: 1203200 -59.0185 -16.2431 16.4003 -10.6808 29.6403 -5.98024 17.5222 -6.01975 2.82813 TIMING: 1203200 CPU: 3754.59, 0.00313189/step Wall: 3754.59, 0.00313189/step, 3.3031 hours remaining, 234.253906 MB of memory in use. ENERGY: 1203200 3959.5403 20488.2708 14446.0308 251.4819 -203583.9133 2793.6673 0.0000 0.0000 52284.0650 -109360.8573 300.4772 -161644.9223 -108995.5610 299.1018 -74.5269 -39.0570 760967.2836 -8.9447 -8.8500 PRESSURE: 1203400 0.168709 -222.524 12.0623 -222.523 246.531 160.109 12.0632 160.108 436.414 GPRESSURE: 1203400 101.697 -70.2282 52.922 -178.97 213.616 147.126 -13.3197 197.138 458.35 PRESSAVG: 1203400 36.44 -0.267546 -1.07002 -0.267504 -15.7692 -8.83579 -1.07001 -8.83581 -6.18018 GPRESSAVG: 1203400 35.1013 0.606704 -3.09224 -3.15289 -15.2796 -7.65514 -0.499663 -8.60657 -5.73294 TIMING: 1203400 CPU: 3755.21, 0.00312348/step Wall: 3755.21, 0.00312348/step, 3.29406 hours remaining, 234.253906 MB of memory in use. ENERGY: 1203400 3917.8804 20568.9474 14435.5192 255.5797 -202772.6089 2348.1707 0.0000 0.0000 51900.9116 -109345.5999 298.2753 -161246.5115 -108986.2792 298.7179 227.7047 257.8875 761168.2620 4.8302 4.6962 PRESSURE: 1203600 13.9721 203.802 -260.621 203.802 65.3908 -180.148 -260.621 -180.147 -60.9025 GPRESSURE: 1203600 75.6148 135.592 -232.04 151.222 34.9919 -149.31 -254.568 -197.996 -10.3776 PRESSAVG: 1203600 31.7881 -15.6285 -33.0204 -15.6285 25.1367 -14.0038 -33.0204 -14.0039 21.5462 GPRESSAVG: 1203600 32.7512 -16.7707 -30.6429 -14.8678 24.5335 -16.4165 -33.8433 -16.2674 21.2322 TIMING: 1203600 CPU: 3755.84, 0.00312674/step Wall: 3755.84, 0.00312674/step, 3.29732 hours remaining, 234.253906 MB of memory in use. ENERGY: 1203600 4061.0914 20554.9877 14434.4242 247.9159 -203289.1677 2680.4771 0.0000 0.0000 52011.4495 -109298.8218 298.9105 -161310.2713 -108933.2575 299.2592 6.1535 33.4097 759688.9709 26.1570 26.1723 PRESSURE: 1203800 -24.3769 -86.7052 -68.4014 -86.7058 374.922 22.2798 -68.4017 22.2789 55.1016 GPRESSURE: 1203800 -6.51171 -11.7017 -176.585 -54.7606 396.495 120.54 -48.6242 140.95 102.259 PRESSAVG: 1203800 8.66455 12.9802 -41.3374 12.9802 -17.6349 -66.7773 -41.3374 -66.7774 -13.6717 GPRESSAVG: 1203800 7.79694 13.6762 -41.2082 13.8687 -16.9327 -65.1214 -40.4258 -62.8801 -13.2669 TIMING: 1203800 CPU: 3756.46, 0.00313101/step Wall: 3756.46, 0.00313101/step, 3.30165 hours remaining, 234.253906 MB of memory in use. ENERGY: 1203800 3915.6389 20531.2133 14406.6031 252.1319 -203435.0714 2974.7642 0.0000 0.0000 52069.3831 -109285.3369 299.2435 -161354.7200 -108922.6409 299.1543 135.2154 164.0808 760655.3559 -7.5473 -7.4676 PRESSURE: 1204000 -153.856 65.5817 -85.2831 65.5812 234.293 292.746 -85.2828 292.746 281.667 GPRESSURE: 1204000 -138.728 -40.9891 3.70838 -35.6417 291.659 180.427 -140.312 313.815 285.197 PRESSAVG: 1204000 -62.7781 -25.9392 -48.0929 -25.9391 48.1696 1.3238 -48.0929 1.32378 -8.49867 GPRESSAVG: 1204000 -60.9238 -27.5425 -47.2877 -27.3848 46.8507 -0.0433504 -47.5449 -0.353562 -9.63916 TIMING: 1204000 CPU: 3757.09, 0.00313762/step Wall: 3757.09, 0.00313762/step, 3.30844 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1204000 3919.3762 20394.4587 14408.8248 220.8668 -203277.8467 2890.5919 0.0000 0.0000 52062.3691 -109381.3591 299.2032 -161443.7282 -109013.7189 299.3066 120.7011 146.0426 761128.4126 -7.7024 -7.9041 PRESSURE: 1204200 -163.999 31.9209 71.0434 31.9214 -235.418 23.1629 71.0438 23.1633 -491.216 GPRESSURE: 1204200 -243.145 20.6977 27.0739 -12.8924 -164.209 39.5825 155.114 9.25182 -408.748 PRESSAVG: 1204200 -27.2357 74.463 10.4945 74.463 53.4288 0.145291 10.4946 0.145402 10.1131 GPRESSAVG: 1204200 -28.657 76.7324 8.91467 74.4478 54.227 -0.207273 10.7071 0.209777 11.1809 TIMING: 1204200 CPU: 3757.71, 0.00311993/step Wall: 3757.71, 0.00311993/step, 3.28962 hours remaining, 234.253906 MB of memory in use. ENERGY: 1204200 3920.5821 20630.9817 14487.6141 242.9799 -203074.6699 2513.2213 0.0000 0.0000 52096.9571 -109182.3337 299.4019 -161279.2907 -108817.9380 299.4657 -296.8774 -272.0341 762791.2139 12.1021 12.2503 LDB: ============= START OF LOAD BALANCING ============== 3770.19 LDB: ============== END OF LOAD BALANCING =============== 3770.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3770.2 LDB: ============= START OF LOAD BALANCING ============== 3770.51 LDB: Largest compute 7010 load 0.031666 is 16.2% of average load 0.195025 LDB: Average compute 0.004384 is 2.2% of average load 0.195025 LDB: TIME 3770.51 LOAD: AVG 0.195025 MAX 0.220759 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.512 MB LDB: TIME 3770.51 LOAD: AVG 0.195025 MAX 0.220759 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.625 MB LDB: TIME 3770.51 LOAD: AVG 0.195025 MAX 0.213511 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.625 MB LDB: ============== END OF LOAD BALANCING =============== 3770.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3770.52 PRESSURE: 1204400 -306.928 -121.002 -35.6049 -121.002 -8.96925 -44.1796 -35.6041 -44.1807 -350.694 GPRESSURE: 1204400 -86.4487 -118.104 -78.1572 -9.31088 -78.2732 93.6975 16.2277 49.6503 -424.296 PRESSAVG: 1204400 -77.3846 22.9635 -22.6207 22.9635 78.9706 -5.94399 -22.6206 -5.94401 0.951181 GPRESSAVG: 1204400 -76.7688 21.8227 -21.8308 23.3841 79.0198 -4.43488 -24.0724 -5.13275 -0.232514 TIMING: 1204400 CPU: 3758.35, 0.0032038/step Wall: 3758.35, 0.0032038/step, 3.37788 hours remaining, 233.539062 MB of memory in use. ENERGY: 1204400 4062.7243 20477.2379 14357.4040 226.0852 -203319.2990 2716.7736 0.0000 0.0000 52002.0242 -109477.0497 298.8563 -161479.0739 -109108.1606 299.5297 -222.1971 -196.3393 762709.7291 0.8457 0.6728 PRESSURE: 1204600 -139.841 74.5783 54.73 74.5792 -403.02 17.5319 54.729 17.5313 -302.39 GPRESSURE: 1204600 -176.923 -0.25333 47.6226 67.8946 -331.381 -76.1431 156.83 -79.0284 -262.863 PRESSAVG: 1204600 -17.9911 -31.2231 14.8829 -31.2231 42.5409 -27.6766 14.8829 -27.6766 1.45266 GPRESSAVG: 1204600 -18.1597 -30.6704 15.1916 -28.8525 43.2947 -29.0401 16.4381 -27.6597 1.50699 TIMING: 1204600 CPU: 3758.98, 0.00313223/step Wall: 3758.98, 0.00313223/step, 3.30224 hours remaining, 233.539062 MB of memory in use. ENERGY: 1204600 4027.8334 20630.7184 14411.7836 253.5612 -203445.7824 2549.3686 0.0000 0.0000 52254.7154 -109317.8017 300.3086 -161572.5171 -108964.0338 299.2445 -281.7505 -257.0555 762491.1372 8.6675 8.8807 PRESSURE: 1204800 -395.182 136.791 108.114 136.79 -283.939 89.8676 108.113 89.8679 -125.098 GPRESSURE: 1204800 -372.891 82.8748 130.874 33.7291 -203.343 63.0196 -59.2866 -43.7806 -160.875 PRESSAVG: 1204800 -38.1745 -61.4623 -40.8624 -61.4623 25.9218 -1.87331 -40.8624 -1.87333 0.434589 GPRESSAVG: 1204800 -38.205 -62.9322 -38.7339 -64.3479 24.9572 -2.11848 -42.8701 -3.2256 1.80695 TIMING: 1204800 CPU: 3759.6, 0.00311657/step Wall: 3759.6, 0.00311657/step, 3.28555 hours remaining, 233.539062 MB of memory in use. ENERGY: 1204800 3985.1677 20529.4806 14451.9137 255.3528 -203128.6380 2598.5241 0.0000 0.0000 51992.3977 -109315.8014 298.8010 -161308.1991 -108955.6616 299.7522 -268.0731 -245.7031 762620.2957 -3.9394 -3.8136 PRESSURE: 1205000 226.431 30.2859 52.5098 30.2859 -406.1 -141.234 52.5096 -141.234 -155.991 GPRESSURE: 1205000 158.224 181.749 118.795 6.49092 -253.188 -93.2576 35.4278 -86.4281 -176.386 PRESSAVG: 1205000 -30.9105 -4.27554 -47.9771 -4.27553 43.3148 -9.02297 -47.9771 -9.0229 5.42775 GPRESSAVG: 1205000 -30.7442 -3.56696 -49.7464 -4.17989 43.2222 -6.73938 -46.24 -8.09947 5.52544 TIMING: 1205000 CPU: 3760.23, 0.0031228/step Wall: 3760.23, 0.0031228/step, 3.29195 hours remaining, 233.539062 MB of memory in use. ENERGY: 1205000 4013.4658 20632.9390 14398.1467 253.8341 -203445.5054 2810.1372 0.0000 0.0000 52088.4634 -109248.5192 299.3531 -161336.9825 -108880.9967 299.3594 -111.8867 -90.4501 762967.2379 5.9440 6.0012 PRESSURE: 1205200 78.5668 121.343 -301.782 121.343 172.405 -101.642 -301.782 -101.643 -401.278 GPRESSURE: 1205200 -24.1144 191.085 -325.839 4.28225 253.293 -103.034 -165.475 -61.5893 -301.504 PRESSAVG: 1205200 -62.3849 17.442 -24.1762 17.4419 35.4552 -25.4569 -24.1762 -25.4569 -11.374 GPRESSAVG: 1205200 -64.901 15.1705 -25.6509 19.0895 36.1126 -25.8294 -23.3818 -26.7765 -10.6271 TIMING: 1205200 CPU: 3760.85, 0.00312037/step Wall: 3760.85, 0.00312037/step, 3.28922 hours remaining, 233.539062 MB of memory in use. ENERGY: 1205200 4006.5647 20540.5890 14402.9551 223.9379 -203255.5529 2802.9179 0.0000 0.0000 52030.1481 -109248.4403 299.0180 -161278.5883 -108894.5856 299.6022 -50.1022 -24.1087 762922.2009 -12.7679 -13.1385 PRESSURE: 1205400 -258.936 70.0155 219.572 70.0152 -139.766 -76.1418 219.571 -76.142 -153.063 GPRESSURE: 1205400 -193.306 46.4148 173.747 -2.91394 -191.541 -17.7494 244.913 19.572 -89.521 PRESSAVG: 1205400 -37.5473 -15.4844 -44.8035 -15.4845 49.8539 55.3868 -44.8034 55.3868 22.5607 GPRESSAVG: 1205400 -35.9304 -15.4252 -42.5984 -17.0601 48.1404 54.5744 -47.0287 57.6036 22.2898 TIMING: 1205400 CPU: 3761.48, 0.00312002/step Wall: 3761.48, 0.00312002/step, 3.28868 hours remaining, 233.539062 MB of memory in use. ENERGY: 1205400 4030.0715 20562.8649 14398.0325 235.2085 -203540.7022 2748.9990 0.0000 0.0000 52230.1557 -109335.3701 300.1674 -161565.5258 -108969.7889 299.6713 -183.9217 -158.1225 761828.9684 11.6224 11.5000 PRESSURE: 1205600 -575.609 157.76 108.652 157.759 -164.567 207.078 108.652 207.079 -138.146 GPRESSURE: 1205600 -532.085 83.0697 88.0519 79.6673 -113.989 124.919 62.524 178.156 -128.655 PRESSAVG: 1205600 -26.9471 34.6072 -26.9683 34.6072 78.2063 26.6877 -26.9684 26.6878 -16.0732 GPRESSAVG: 1205600 -26.3607 34.2314 -25.9363 35.0484 78.3189 25.5576 -26.5389 23.6195 -17.1162 TIMING: 1205600 CPU: 3762.1, 0.00311151/step Wall: 3762.1, 0.00311151/step, 3.27953 hours remaining, 233.539062 MB of memory in use. ENERGY: 1205600 4023.2017 20484.9573 14465.8958 268.6153 -203616.5782 2834.2528 0.0000 0.0000 52085.6280 -109454.0273 299.3368 -161539.6552 -109086.5407 299.7525 -292.7741 -258.2428 761154.2044 11.7287 11.6140 PRESSURE: 1205800 16.6352 -58.6755 165.74 -58.675 -80.9993 90.1267 165.739 90.1262 -17.132 GPRESSURE: 1205800 60.075 5.77268 159.475 17.9469 -26.935 90.3747 118.358 -89.3848 -25.7427 PRESSAVG: 1205800 6.2805 35.0162 14.161 35.0162 -30.6551 -5.31547 14.1611 -5.31551 3.49853 GPRESSAVG: 1205800 5.03549 37.4052 11.3878 34.2343 -28.7754 -4.95999 14.5173 -5.80393 2.27128 TIMING: 1205800 CPU: 3762.72, 0.00312175/step Wall: 3762.72, 0.00312176/step, 3.29016 hours remaining, 233.539062 MB of memory in use. ENERGY: 1205800 3928.6322 20756.0672 14386.6635 281.1788 -203532.3665 2749.4036 0.0000 0.0000 51840.6252 -109589.7960 297.9288 -161430.4213 -109230.9782 298.4586 -27.1654 2.4658 762604.7613 -6.9587 -7.1562 PRESSURE: 1206000 95.8171 120.072 -295.752 120.072 27.4801 87.8159 -295.751 87.8168 -172.083 GPRESSURE: 1206000 196.449 127.515 -243.764 84.9328 36.2915 127.896 -237.507 145.031 -200.09 PRESSAVG: 1206000 -74.0601 33.1682 -13.0556 33.1682 30.7152 49.1032 -13.0556 49.1033 5.59353 GPRESSAVG: 1206000 -73.1935 33.5908 -12.3727 33.5883 27.9455 51.2444 -11.8628 49.8887 7.17148 TIMING: 1206000 CPU: 3763.35, 0.0031088/step Wall: 3763.35, 0.0031088/step, 3.27633 hours remaining, 233.539062 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: 1206000 3995.5173 20428.0687 14415.7773 263.0425 -203819.4914 3036.2081 0.0000 0.0000 51941.5521 -109739.3253 298.5088 -161680.8775 -109382.4652 298.1681 -16.2620 10.8836 761831.6930 -12.5838 -12.6921 PRESSURE: 1206200 57.9824 -12.572 83.5363 -12.5722 -332.618 -68.9321 83.5363 -68.9319 -356.619 GPRESSURE: 1206200 77.5289 -17.8415 19.3261 0.792178 -205.915 -2.54372 85.985 5.75976 -371.09 PRESSAVG: 1206200 -56.1204 17.5738 -6.25772 17.5738 64.0436 12.5003 -6.25774 12.5003 -0.301529 GPRESSAVG: 1206200 -56.5405 17.9236 -4.84494 16.2575 64.4323 11.7123 -8.01729 12.9012 -0.409081 TIMING: 1206200 CPU: 3763.97, 0.00312241/step Wall: 3763.97, 0.00312241/step, 3.2905 hours remaining, 233.539062 MB of memory in use. ENERGY: 1206200 4029.3103 20421.1890 14362.0364 232.5710 -203191.3740 2626.1796 0.0000 0.0000 51906.6069 -109613.4808 298.3080 -161520.0877 -109247.2246 298.0599 -210.4184 -166.4920 762257.3380 2.5406 2.4942 PRESSURE: 1206400 -422.774 -60.8124 -43.9694 -60.8126 -183.07 183.197 -43.9696 183.197 -170.21 GPRESSURE: 1206400 -297.506 69.1171 -18.1892 -13.7191 -232.81 160.22 98.2842 314.409 -162.417 PRESSAVG: 1206400 -15.0083 18.4469 15.9379 18.4469 -21.1894 11.0288 15.9378 11.0289 10.2042 GPRESSAVG: 1206400 -14.9354 18.7537 14.6202 19.0076 -21.66 9.63738 15.4762 13.4387 10.6315 TIMING: 1206400 CPU: 3764.6, 0.00312848/step Wall: 3764.6, 0.00312848/step, 3.29672 hours remaining, 233.539062 MB of memory in use. ENERGY: 1206400 3978.8558 20485.4256 14418.3501 245.5306 -202963.0078 2410.7995 0.0000 0.0000 51992.0244 -109432.0218 298.7989 -161424.0462 -109071.6598 298.4988 -258.6844 -230.9111 762957.5739 -8.6645 -8.6546 PRESSURE: 1206600 -40.0322 -40.3975 45.742 -40.3975 22.6214 254.198 45.7419 254.198 64.0556 GPRESSURE: 1206600 27.9281 -37.4295 116.27 -91.3618 10.3233 263.66 -11.6149 28.8489 58.6989 PRESSAVG: 1206600 -84.9287 29.0092 -5.96591 29.0092 22.6856 35.8892 -5.96587 35.8892 14.308 GPRESSAVG: 1206600 -84.9945 27.6639 -5.53004 28.0851 22.5692 35.5571 -5.23255 32.0825 13.7172 TIMING: 1206600 CPU: 3765.22, 0.0031239/step Wall: 3765.22, 0.0031239/step, 3.29173 hours remaining, 233.539062 MB of memory in use. ENERGY: 1206600 3962.9473 20456.6135 14396.0031 244.3836 -203254.5970 2689.2639 0.0000 0.0000 52014.0001 -109491.3855 298.9252 -161505.3856 -109128.0987 298.9202 15.5483 32.3168 763039.1246 -15.9784 -16.2360 PRESSURE: 1206800 -49.7932 74.0254 145.269 74.0252 217.755 -82.9548 145.269 -82.9558 442.962 GPRESSURE: 1206800 36.0628 82.0108 46.9212 58.1294 263.63 -103.257 133.136 14.9314 373.892 PRESSAVG: 1206800 -38.7484 -46.2776 -9.40878 -46.2777 106.142 -12.9022 -9.40877 -12.9021 -22.796 GPRESSAVG: 1206800 -40.1264 -46.0976 -9.45394 -44.9934 106.879 -11.3191 -9.81886 -10.0627 -22.2569 TIMING: 1206800 CPU: 3765.84, 0.00311179/step Wall: 3765.84, 0.00311179/step, 3.27879 hours remaining, 233.539062 MB of memory in use. ENERGY: 1206800 3917.9471 20413.0729 14444.8839 266.0717 -203616.0633 3124.8870 0.0000 0.0000 51974.6811 -109474.5196 298.6992 -161449.2007 -109100.8585 298.8747 203.6416 224.5283 761684.6522 14.8659 14.8319 PRESSURE: 1207000 -94.6692 -2.25872 -91.4912 -2.25876 113.816 119.567 -91.4912 119.568 525.584 GPRESSURE: 1207000 -36.6036 2.5188 -94.1243 4.52873 175.219 144.609 -146.767 117.913 484.021 PRESSAVG: 1207000 -33.175 -54.0368 -12.2968 -54.0368 -0.970498 20.37 -12.2967 20.37 7.62116 GPRESSAVG: 1207000 -32.1429 -53.0034 -11.9675 -53.3331 -1.56824 20.3386 -12.0721 19.4728 7.29379 TIMING: 1207000 CPU: 3766.47, 0.00313836/step Wall: 3766.47, 0.00313836/step, 3.30661 hours remaining, 233.539062 MB of memory in use. ENERGY: 1207000 3945.3305 20506.8407 14462.1674 267.8142 -203318.2568 2773.1945 0.0000 0.0000 51785.2762 -109577.6333 297.6107 -161362.9095 -109218.6102 298.5534 181.5770 207.5453 761524.4681 -8.8415 -8.8058 PRESSURE: 1207200 -237.086 -193.033 -71.7962 -193.034 110.861 176.984 -71.797 176.984 103.687 GPRESSURE: 1207200 -89.8066 -124.896 -24.8871 -214.423 20.1459 205.139 -145.159 -38.275 112.293 PRESSAVG: 1207200 -66.3229 1.82334 32.1023 1.8233 54.3556 90.3348 32.1023 90.3349 -18.1502 GPRESSAVG: 1207200 -67.0418 1.46086 32.0342 -1.24453 54.3021 89.0613 32.7934 90.0243 -17.2477 TIMING: 1207200 CPU: 3767.09, 0.00312436/step Wall: 3767.09, 0.00312436/step, 3.29169 hours remaining, 233.539062 MB of memory in use. ENERGY: 1207200 3925.7802 20530.5574 14416.9162 256.0684 -203335.4562 2789.1867 0.0000 0.0000 52090.2855 -109326.6619 299.3636 -161416.9475 -108972.1313 298.6960 -7.5126 14.2108 764213.5772 -10.0391 -9.9958 PRESSURE: 1207400 96.2592 110.078 38.3208 110.08 362.678 213.651 38.3207 213.652 264.261 GPRESSURE: 1207400 162.298 96.8403 -28.7049 178.046 368.426 229.321 195.216 295.619 271.565 PRESSAVG: 1207400 -33.5655 -24.957 -4.11538 -24.957 79.9086 22.0748 -4.11531 22.0747 9.17503 GPRESSAVG: 1207400 -33.2842 -25.0909 -4.71476 -20.7339 80.2067 21.3235 -4.27115 21.7514 8.44212 TIMING: 1207400 CPU: 3767.72, 0.00311564/step Wall: 3767.72, 0.00311564/step, 3.28232 hours remaining, 233.539062 MB of memory in use. ENERGY: 1207400 3937.1447 20359.8032 14359.4602 240.6284 -203112.7146 2737.8670 0.0000 0.0000 52106.2893 -109371.5217 299.4556 -161477.8110 -109005.5089 299.0956 241.0659 267.4297 762564.9421 18.5061 18.4549 PRESSURE: 1207600 -342.818 -35.4794 -289.172 -35.4792 -65.2835 -151.397 -289.172 -151.398 -43.7302 GPRESSURE: 1207600 -353.577 -93.065 -276.281 -29.5535 92.4107 -127.912 -234.539 -136.895 -84.1416 PRESSAVG: 1207600 -89.9501 -37.9546 -17.0285 -37.9547 42.4578 58.0903 -17.0286 58.0903 -7.74261 GPRESSAVG: 1207600 -91.1087 -39.4346 -16.9794 -38.2677 43.5352 59.6883 -17.5105 59.6209 -7.67046 TIMING: 1207600 CPU: 3768.34, 0.00310979/step Wall: 3768.34, 0.00310979/step, 3.27599 hours remaining, 233.539062 MB of memory in use. ENERGY: 1207600 3911.9482 20390.8439 14383.7572 256.1201 -202943.1171 2576.6515 0.0000 0.0000 51918.8405 -109504.9557 298.3783 -161423.7962 -109140.3983 298.5104 -150.6107 -115.1028 763741.3404 -18.4117 -18.4146 PRESSURE: 1207800 289.302 -73.2903 -173.56 -73.2903 -393.195 -13.3015 -173.559 -13.3008 -174.99 GPRESSURE: 1207800 218.407 -10.9661 -184.1 -149.578 -249.252 -115.824 25.5911 169.566 -155.871 PRESSAVG: 1207800 -43.2076 -38.2527 17.8607 -38.2527 18.7982 -43.8711 17.8607 -43.8711 -5.44197 GPRESSAVG: 1207800 -41.6691 -36.4756 17.5519 -38.4546 17.0979 -43.9794 19.7038 -45.5023 -5.50883 TIMING: 1207800 CPU: 3768.96, 0.0031125/step Wall: 3768.96, 0.0031125/step, 3.27868 hours remaining, 233.539062 MB of memory in use. ENERGY: 1207800 3976.8633 20379.8978 14391.1161 243.9646 -202961.7432 2629.7903 0.0000 0.0000 51915.2158 -109424.8954 298.3575 -161340.1111 -109068.9785 298.5275 -92.9612 -62.2385 763689.2041 -9.9505 -10.0267 PRESSURE: 1208000 -230.847 -213.146 -63.6033 -213.146 95.7287 -40.7205 -63.6035 -40.7217 179.15 GPRESSURE: 1208000 -202.488 -121.095 -42.7169 -165.197 79.89 -31.7093 -104.858 66.5249 224.513 PRESSAVG: 1208000 -51.4926 22.9974 17.5155 22.9975 54.78 -5.20494 17.5155 -5.20495 21.7638 GPRESSAVG: 1208000 -52.1806 20.7837 16.7062 21.1984 54.3949 -6.13489 15.1223 -5.68936 22.4569 TIMING: 1208000 CPU: 3769.59, 0.00313728/step Wall: 3769.59, 0.00313728/step, 3.3046 hours remaining, 233.539062 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: 1208000 4000.4530 20487.3410 14469.7478 252.4722 -202714.3699 2244.6150 0.0000 0.0000 51785.0784 -109474.6624 297.6096 -161259.7409 -109121.0114 298.3950 14.6770 33.9716 765370.9956 8.3504 8.2237 PRESSURE: 1208200 271.68 -64.2686 -260.94 -64.2689 -335.619 -91.8803 -260.941 -91.8799 -391.251 GPRESSURE: 1208200 232.538 -88.2925 -196.406 15.0932 -218.807 -89.3179 -153.961 -114.847 -366.163 PRESSAVG: 1208200 -69.3756 -42.9048 -36.9154 -42.9048 35.6175 20.9729 -36.9154 20.973 -4.34728 GPRESSAVG: 1208200 -71.6463 -42.3375 -36.0112 -42.8049 38.3621 22.2969 -35.7781 20.925 -4.37177 TIMING: 1208200 CPU: 3770.22, 0.00313083/step Wall: 3770.22, 0.00313083/step, 3.29763 hours remaining, 233.539062 MB of memory in use. ENERGY: 1208200 3984.7705 20393.2197 14426.7125 252.7577 -202867.8465 2526.1237 0.0000 0.0000 51839.8382 -109444.4240 297.9243 -161284.2623 -109082.3812 298.3993 -151.7302 -117.4772 764170.7120 -12.7018 -12.5520 LDB: ============= START OF LOAD BALANCING ============== 3782.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3782.7 LDB: =============== DONE WITH MIGRATION ================ 3782.7 LDB: ============= START OF LOAD BALANCING ============== 3783.01 LDB: Largest compute 7010 load 0.032005 is 16.4% of average load 0.194964 LDB: Average compute 0.004386 is 2.2% of average load 0.194964 LDB: TIME 3783.01 LOAD: AVG 0.194964 MAX 0.212078 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.539 MB LDB: TIME 3783.01 LOAD: AVG 0.194964 MAX 0.212078 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.539 MB LDB: TIME 3783.01 LOAD: AVG 0.194964 MAX 0.212078 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.539 MB LDB: ============== END OF LOAD BALANCING =============== 3783.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3783.02 PRESSURE: 1208400 -302.323 45.1206 137.787 45.1202 -185.309 -34.2486 137.788 -34.2491 149.438 GPRESSURE: 1208400 -224.539 50.7761 35.3117 21.8734 -169.261 -7.55884 212.535 243.542 147.993 PRESSAVG: 1208400 -13.2906 -2.85183 -7.44854 -2.85182 11.5529 -33.2778 -7.44857 -33.2778 -26.0331 GPRESSAVG: 1208400 -11.3789 -3.09426 -7.71168 -2.71713 9.94433 -34.27 -9.2131 -31.2692 -26.6365 TIMING: 1208400 CPU: 3770.86, 0.00319693/step Wall: 3770.86, 0.00319693/step, 3.36708 hours remaining, 233.027344 MB of memory in use. ENERGY: 1208400 4037.4040 20559.5423 14397.8429 256.7151 -203232.4852 2766.9138 0.0000 0.0000 51934.6112 -109279.4559 298.4689 -161214.0672 -108917.6413 298.6521 -112.7312 -81.9353 764402.4549 -9.2569 -9.3570 PRESSURE: 1208600 -197.465 -43.0105 12.6539 -43.0096 -161.891 17.7242 12.6541 17.7232 -96.4507 GPRESSURE: 1208600 -153.6 -168.511 -33.0331 -86.9472 -148.118 25.1023 119.845 -58.1599 -61.9338 PRESSAVG: 1208600 -81.1216 3.19634 -0.028639 3.19631 57.4255 -6.16884 -0.0286554 -6.16886 -6.29242 GPRESSAVG: 1208600 -80.9647 2.69612 -1.37696 3.35804 56.8687 -7.38384 0.652778 -8.15921 -5.96033 TIMING: 1208600 CPU: 3771.48, 0.00312088/step Wall: 3771.48, 0.00312088/step, 3.28681 hours remaining, 233.027344 MB of memory in use. ENERGY: 1208600 3957.5824 20458.5524 14387.3315 242.1080 -203191.9710 2939.2984 0.0000 0.0000 51919.9368 -109287.1616 298.3846 -161207.0983 -108918.7445 298.6829 -151.9355 -121.2169 764562.1627 -9.9962 -10.0188 PRESSURE: 1208800 -154.251 -34.3257 -95.2405 -34.3262 -72.7513 -26.1576 -95.2411 -26.159 -165.293 GPRESSURE: 1208800 -149.964 -90.4126 -186.955 32.7346 2.45556 -17.2778 4.39486 23.6412 -155.288 PRESSAVG: 1208800 -34.2117 -53.9768 14.9329 -53.9767 18.6196 23.9883 14.9329 23.9882 9.68121 GPRESSAVG: 1208800 -34.4123 -55.4991 14.9447 -53.1227 18.601 25.5172 16.9742 24.5489 9.86022 TIMING: 1208800 CPU: 3772.1, 0.00312119/step Wall: 3772.1, 0.0031212/step, 3.28697 hours remaining, 233.027344 MB of memory in use. ENERGY: 1208800 4007.3935 20473.7183 14488.1135 248.9276 -203738.0752 3087.0078 0.0000 0.0000 51974.7616 -109458.1530 298.6997 -161432.9146 -109091.6688 298.4944 -130.7653 -100.9319 763917.8754 -1.9703 -1.9837 PRESSURE: 1209000 -395.815 -115.159 -161.677 -115.159 -35.0412 -160.228 -161.677 -160.228 -130.987 GPRESSURE: 1209000 -315.586 -151.593 -94.7443 -107.969 -18.7369 -149.044 -250.634 -149.729 -161.413 PRESSAVG: 1209000 -12.3706 -42.8964 43.6072 -42.8964 7.72738 -40.63 43.6072 -40.6301 -2.7269 GPRESSAVG: 1209000 -13.317 -40.253 45.4149 -43.0166 7.48606 -39.9706 40.5166 -41.003 -2.00693 TIMING: 1209000 CPU: 3772.73, 0.00315017/step Wall: 3772.73, 0.00315017/step, 3.31731 hours remaining, 233.027344 MB of memory in use. ENERGY: 1209000 3953.0599 20472.3276 14424.2747 250.0329 -203631.9173 3042.1426 0.0000 0.0000 51810.3788 -109679.7007 297.7550 -161490.0796 -109315.9278 298.3998 -187.2811 -165.2453 763794.6042 -2.4567 -2.6126 PRESSURE: 1209200 -184.97 -41.8686 -123.47 -41.8694 -12.9163 -68.0809 -123.468 -68.0812 -52.8086 GPRESSURE: 1209200 -74.5854 -73.9065 -18.6046 71.5513 20.3944 -160.431 -238.958 -1.04472 -114.382 PRESSAVG: 1209200 -21.5316 -40.8595 -17.9634 -40.8595 31.3156 34.8844 -17.9634 34.8844 15.6229 GPRESSAVG: 1209200 -21.1802 -41.6124 -17.8094 -41.1871 30.7665 34.2375 -15.6778 36.0334 15.5632 TIMING: 1209200 CPU: 3773.36, 0.00311783/step Wall: 3773.36, 0.00311783/step, 3.28308 hours remaining, 233.027344 MB of memory in use. ENERGY: 1209200 3971.1779 20436.5513 14416.8142 244.3008 -203414.7986 2926.9411 0.0000 0.0000 51916.3529 -109502.6604 298.3640 -161419.0133 -109140.6389 298.2531 -83.5650 -56.1910 762493.4630 8.4690 8.3832 PRESSURE: 1209400 125.29 -119.941 -60.739 -119.941 -171.285 53.9624 -60.7394 53.9615 -20.7485 GPRESSURE: 1209400 233.859 -129.839 4.08981 -203.281 -256.81 20.2814 -68.9608 45.2856 29.8976 PRESSAVG: 1209400 6.03291 -89.1129 -8.75505 -89.1129 -47.8165 12.7335 -8.75514 12.7335 -6.87899 GPRESSAVG: 1209400 6.88202 -88.241 -10.5488 -88.797 -48.6909 13.0975 -10.5559 11.6714 -6.77648 TIMING: 1209400 CPU: 3773.98, 0.00311338/step Wall: 3773.98, 0.00311338/step, 3.27822 hours remaining, 233.027344 MB of memory in use. ENERGY: 1209400 3996.1323 20528.1638 14495.5541 231.0282 -203508.7115 2870.9948 0.0000 0.0000 51854.1330 -109532.7053 298.0064 -161386.8383 -109177.0745 298.5354 -22.2479 2.3155 763180.9597 -16.2209 -16.1951 PRESSURE: 1209600 -336.691 355.407 316.298 355.407 -94.4014 -155.245 316.299 -155.245 -403.206 GPRESSURE: 1209600 -272.009 265.007 339.464 319.722 -0.814538 -180.414 297.491 -199.209 -488.254 PRESSAVG: 1209600 24.115 -20.44 -15.7203 -20.4401 -37.4433 10.6602 -15.7203 10.6601 20.2891 GPRESSAVG: 1209600 23.2967 -23.1475 -15.5511 -20.1972 -35.9674 7.6109 -15.1353 11.8882 19.3177 TIMING: 1209600 CPU: 3774.6, 0.00311583/step Wall: 3774.6, 0.00311583/step, 3.28063 hours remaining, 233.027344 MB of memory in use. ENERGY: 1209600 3993.6800 20577.3680 14440.3266 245.6528 -203156.9735 2583.9681 0.0000 0.0000 51985.1769 -109330.8011 298.7595 -161315.9780 -108965.9453 298.8903 -278.0994 -253.6928 763885.7563 2.3203 2.2157 PRESSURE: 1209800 192.303 -142.635 83.4606 -142.635 -256.754 -210.934 83.4605 -210.935 153.414 GPRESSURE: 1209800 159.428 -128.249 21.3245 -177.906 -239.093 -268.731 37.2223 -110.358 239.797 PRESSAVG: 1209800 -56.4108 -22.1903 -13.6286 -22.1903 28.549 4.51919 -13.6286 4.51923 -39.7873 GPRESSAVG: 1209800 -56.5491 -21.9743 -12.0753 -21.1542 27.2696 6.75512 -13.5216 3.04432 -38.8156 TIMING: 1209800 CPU: 3775.23, 0.00310873/step Wall: 3775.23, 0.00310873/step, 3.27297 hours remaining, 233.027344 MB of memory in use. ENERGY: 1209800 3953.4217 20527.9780 14433.8935 248.8681 -203400.5882 2773.8886 0.0000 0.0000 52076.8105 -109385.7278 299.2861 -161462.5383 -109018.6264 299.1598 29.6543 53.3771 763156.2370 -22.5497 -22.6984 PRESSURE: 1210000 224.169 15.5058 -28.7467 15.5056 12.6025 30.7796 -28.7464 30.7799 155.047 GPRESSURE: 1210000 276.654 61.7892 -23.3539 56.6214 66.9883 64.8787 -53.0456 6.56822 151.294 PRESSAVG: 1210000 27.0858 -24.4073 0.428073 -24.4073 44.7059 2.26547 0.4281 2.26548 16.175 GPRESSAVG: 1210000 27.8402 -21.8992 -1.16937 -24.8092 43.8379 3.0041 1.00364 2.4067 15.9242 TIMING: 1210000 CPU: 3775.85, 0.0031279/step Wall: 3775.85, 0.0031279/step, 3.29298 hours remaining, 233.027344 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: 1210000 3953.3121 20455.5807 14410.9900 234.6996 -203624.3706 3086.2657 0.0000 0.0000 52099.6832 -109383.8392 299.4176 -161483.5224 -109021.9314 299.0072 130.6061 164.9786 762256.7474 29.3222 29.2008 PRESSURE: 1210200 -159.876 135.922 7.88536 135.922 140.997 -181.616 7.88559 -181.616 38.4417 GPRESSURE: 1210200 -142.698 119.26 62.023 126.125 129.401 -103.237 32.9387 -153.317 94.4839 PRESSAVG: 1210200 -54.911 42.7744 -58.0666 42.7744 33.8462 -28.1487 -58.0666 -28.1488 -17.7036 GPRESSAVG: 1210200 -55.3819 43.0253 -57.9052 42.7896 33.8194 -27.8346 -57.8244 -29.3497 -17.185 TIMING: 1210200 CPU: 3776.48, 0.00313893/step Wall: 3776.48, 0.00313893/step, 3.30442 hours remaining, 233.027344 MB of memory in use. ENERGY: 1210200 3961.4477 20508.4671 14399.6791 220.2834 -203583.2762 2972.1087 0.0000 0.0000 52102.2204 -109419.0697 299.4322 -161521.2902 -109065.2945 298.7907 6.5212 27.0620 762822.4940 -12.9228 -12.9158 PRESSURE: 1210400 135.212 -84.8663 253.161 -84.8659 60.0306 131.619 253.162 131.619 -123.98 GPRESSURE: 1210400 69.9201 35.875 316.114 -36.1086 112.692 155.064 95.6121 162.888 -23.3994 PRESSAVG: 1210400 -31.19 19.4947 36.5027 19.4947 3.73413 -38.0669 36.5027 -38.0669 -12.7046 GPRESSAVG: 1210400 -31.176 19.283 36.2561 17.2899 4.55359 -37.536 37.2406 -36.6346 -13.0269 TIMING: 1210400 CPU: 3777.1, 0.0031196/step Wall: 3777.1, 0.0031196/step, 3.2839 hours remaining, 233.027344 MB of memory in use. ENERGY: 1210400 3881.5247 20442.7447 14552.0542 235.6246 -203103.6480 2663.9996 0.0000 0.0000 51809.8307 -109517.8694 297.7518 -161327.7001 -109154.4421 298.5218 23.7542 53.0707 763217.7509 -13.3868 -13.2164 PRESSURE: 1210600 -242.342 -198.806 15.6628 -198.807 -23.9071 -13.3703 15.6626 -13.371 -362.059 GPRESSURE: 1210600 -240.17 -239.843 87.1495 -276.25 27.1865 62.2762 20.3976 -62.4732 -325.752 PRESSAVG: 1210600 -8.86353 -91.6839 39.4569 -91.6839 7.58303 -17.5705 39.4568 -17.5705 -11.9713 GPRESSAVG: 1210600 -8.80966 -91.7369 39.3969 -89.6525 6.06114 -18.4344 39.4796 -18.4918 -10.2803 TIMING: 1210600 CPU: 3777.72, 0.00310568/step Wall: 3777.72, 0.00310568/step, 3.26908 hours remaining, 233.027344 MB of memory in use. ENERGY: 1210600 4009.5850 20482.6587 14499.1653 260.3101 -203440.6967 2656.2056 0.0000 0.0000 51868.1492 -109664.6229 298.0870 -161532.7721 -109301.5979 298.2721 -209.4361 -179.5784 762234.4675 -4.4173 -4.3429 PRESSURE: 1210800 -129.271 -121.663 -170.278 -121.663 260.862 175.836 -170.278 175.833 461.657 GPRESSURE: 1210800 -4.6775 -3.8491 -189.96 -173.553 282.134 77.7171 -166.144 258.035 413.9 PRESSAVG: 1210800 -56.024 -3.42535 24.4092 -3.42531 29.1955 -15.147 24.4091 -15.1471 10.155 GPRESSAVG: 1210800 -56.3182 -4.29535 26.5769 -3.54415 31.1131 -16.013 22.8703 -14.2336 8.76747 TIMING: 1210800 CPU: 3778.35, 0.00311945/step Wall: 3778.35, 0.00311945/step, 3.28339 hours remaining, 233.027344 MB of memory in use. ENERGY: 1210800 3944.0529 20408.3397 14440.2057 267.0395 -203221.6854 2539.6376 0.0000 0.0000 51889.9362 -109732.4737 298.2122 -161622.4099 -109373.8071 298.1709 197.7492 230.4524 761218.7389 -5.5578 -5.4792 PRESSURE: 1211000 23.4401 90.632 188.856 90.6325 -169.45 -298.916 188.856 -298.917 98.1998 GPRESSURE: 1211000 22.4983 21.8263 252.394 75.2901 -34.3551 -174.716 292.614 -206.859 58.0565 PRESSAVG: 1211000 -46.0693 -1.3842 81.8464 -1.38422 72.3739 3.40004 81.8464 3.39997 0.478243 GPRESSAVG: 1211000 -46.1487 -1.25853 80.4188 -2.07642 72.0658 3.94323 82.7486 3.20394 0.709471 TIMING: 1211000 CPU: 3778.97, 0.00311458/step Wall: 3778.97, 0.00311457/step, 3.27809 hours remaining, 233.027344 MB of memory in use. ENERGY: 1211000 3956.2825 20294.8871 14447.2534 238.0342 -203312.0849 2612.0186 0.0000 0.0000 51919.0112 -109844.5981 298.3793 -161763.6093 -109482.4447 297.9877 -15.9368 15.3999 761381.3048 8.9276 8.8755 PRESSURE: 1211200 -13.7403 96.7204 93.2277 96.7205 -83.0239 -152.877 93.2276 -152.877 294.434 GPRESSURE: 1211200 135.607 -23.4134 72.2603 107.724 -100.34 -62.1104 92.7868 -152.761 264.228 PRESSAVG: 1211200 -10.0715 14.8784 1.9154 14.8784 40.736 -52.2932 1.91538 -52.2931 -21.6216 GPRESSAVG: 1211200 -8.69792 14.2499 1.62581 13.7302 40.4791 -52.7827 0.888051 -53.1854 -22.6742 TIMING: 1211200 CPU: 3779.59, 0.00312024/step Wall: 3779.59, 0.00312024/step, 3.28388 hours remaining, 233.027344 MB of memory in use. ENERGY: 1211200 3982.5027 20423.4310 14444.6515 242.5629 -203858.0688 2879.9207 0.0000 0.0000 52072.0072 -109812.9928 299.2585 -161885.0001 -109445.8285 297.9972 65.8899 99.8315 762198.9648 3.0143 3.0357 PRESSURE: 1211400 -24.5227 -239.553 -87.3103 -239.553 31.6624 -33.6441 -87.3106 -33.643 -417.492 GPRESSURE: 1211400 13.9458 -256.617 -25.6947 -112.137 48.0887 -37.1021 -10.9847 60.5256 -375.541 PRESSAVG: 1211400 -6.46953 41.3553 -50.2111 41.3553 36.654 17.8716 -50.2111 17.8716 -9.74672 GPRESSAVG: 1211400 -7.45654 43.1508 -50.9046 42.9368 37.4795 17.6698 -48.1307 19.7401 -9.24686 TIMING: 1211400 CPU: 3780.21, 0.00309977/step Wall: 3780.21, 0.00309977/step, 3.26216 hours remaining, 233.027344 MB of memory in use. ENERGY: 1211400 3973.4532 20407.4119 14401.3752 247.8790 -203224.0929 2427.0898 0.0000 0.0000 52192.5936 -109574.2902 299.9516 -161766.8838 -109200.0992 298.3529 -136.7840 -104.5021 763392.8103 6.8126 6.9254 PRESSURE: 1211600 102.066 133.305 -119.456 133.304 -20.9804 106.017 -119.457 106.018 5.10795 GPRESSURE: 1211600 88.3752 132.574 -137.2 7.80027 71.7351 98.3146 -167.091 278.543 -5.94242 PRESSAVG: 1211600 -21.8216 -5.62759 49.6737 -5.62764 15.7791 31.2106 49.6736 31.2105 -11.9054 GPRESSAVG: 1211600 -21.9172 -6.64371 52.7487 -4.02895 15.9518 32.2041 47.532 29.4411 -12.1108 TIMING: 1211600 CPU: 3780.84, 0.00310945/step Wall: 3780.84, 0.00310945/step, 3.27218 hours remaining, 233.027344 MB of memory in use. ENERGY: 1211600 3939.6891 20433.6933 14425.6892 281.0913 -203739.6611 3064.8340 0.0000 0.0000 52283.5559 -109311.1083 300.4743 -161594.6641 -108946.0808 299.3494 28.7313 51.3893 761435.3701 -5.9827 -6.0254 PRESSURE: 1211800 -79.7051 -227.447 -71.959 -227.448 -43.6831 -536.095 -71.9596 -536.095 -132.244 GPRESSURE: 1211800 -54.652 -162.968 -42.5254 -279.906 -51.0165 -491.312 -43.9199 -534.022 -74.536 PRESSAVG: 1211800 -27.4334 15.881 -46.4768 15.8811 32.8551 11.2885 -46.4768 11.2885 2.43685 GPRESSAVG: 1211800 -26.6537 15.0231 -49.2093 13.5208 32.0607 10.3944 -43.5557 12.3283 3.24785 TIMING: 1211800 CPU: 3781.46, 0.00312561/step Wall: 3781.46, 0.00312561/step, 3.28901 hours remaining, 233.027344 MB of memory in use. ENERGY: 1211800 3920.5623 20655.4011 14437.4243 276.0463 -203260.7141 2807.4467 0.0000 0.0000 51984.1935 -109179.6399 298.7539 -161163.8334 -108821.3428 299.5073 -85.2108 -60.0682 761837.0235 2.6195 2.8849 PRESSURE: 1212000 152.851 25.6687 196.862 25.6694 293.964 -170.598 196.862 -170.598 433.047 GPRESSURE: 1212000 92.1916 60.5598 152.786 -5.38931 414.229 -124.933 315.172 -150.654 470.278 PRESSAVG: 1212000 -43.9435 -1.19895 19.6154 -1.19897 49.9004 -24.9765 19.6154 -24.9765 -6.36808 GPRESSAVG: 1212000 -44.5978 -0.629057 20.6675 0.398026 50.9164 -23.7983 17.7771 -26.1957 -6.29067 TIMING: 1212000 CPU: 3782.08, 0.00311589/step Wall: 3782.08, 0.00311589/step, 3.2786 hours remaining, 233.027344 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: 1212000 4011.2206 20628.2130 14453.4171 239.9488 -203710.9915 3014.2903 0.0000 0.0000 52198.1356 -109165.7661 299.9834 -161363.9016 -108806.0900 299.3906 293.2873 325.5663 761517.4557 -0.1371 0.0093 PRESSURE: 1212200 122.961 191.162 277.542 191.163 50.14 -0.0109271 277.543 -0.0113545 523.132 GPRESSURE: 1212200 129.771 93.8317 282.638 47.3989 125.313 19.7969 105.011 33.4452 509.12 PRESSAVG: 1212200 -7.88093 -2.26243 37.6469 -2.26243 -6.12585 -84.7301 37.6469 -84.7301 2.19816 GPRESSAVG: 1212200 -7.40254 -1.20025 37.1779 -3.12522 -5.63264 -84.8134 36.8254 -81.8036 1.4826 TIMING: 1212200 CPU: 3782.71, 0.00310817/step Wall: 3782.71, 0.00310817/step, 3.27032 hours remaining, 233.027344 MB of memory in use. ENERGY: 1212200 3996.0366 20581.6200 14459.0612 246.5802 -204001.7594 3147.7296 0.0000 0.0000 52217.2204 -109353.5115 300.0931 -161570.7318 -108997.3763 299.4448 232.0778 254.7347 761393.7964 -3.9362 -3.8509 LDB: ============= START OF LOAD BALANCING ============== 3795.18 LDB: ============== END OF LOAD BALANCING =============== 3795.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3795.19 LDB: ============= START OF LOAD BALANCING ============== 3795.5 LDB: Largest compute 7010 load 0.029621 is 15.2% of average load 0.195109 LDB: Average compute 0.004386 is 2.2% of average load 0.195109 LDB: TIME 3795.5 LOAD: AVG 0.195109 MAX 0.212959 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.594 MB LDB: TIME 3795.5 LOAD: AVG 0.195109 MAX 0.212959 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.797 MB LDB: TIME 3795.5 LOAD: AVG 0.195109 MAX 0.212959 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.797 MB LDB: ============== END OF LOAD BALANCING =============== 3795.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3795.51 PRESSURE: 1212400 42.9002 35.7224 186.575 35.7217 -265.743 -107.775 186.575 -107.776 -149.725 GPRESSURE: 1212400 67.5142 111.58 262.726 70.8948 -250.51 -55.1472 162.557 -127.736 -116.771 PRESSAVG: 1212400 -13.3551 -74.1072 42.0653 -74.1071 11.0796 -26.8866 42.0653 -26.8866 1.02641 GPRESSAVG: 1212400 -12.5808 -75.3129 40.749 -72.7012 9.07011 -27.5183 42.2237 -27.6887 2.27914 TIMING: 1212400 CPU: 3783.34, 0.00319245/step Wall: 3783.34, 0.00319245/step, 3.35881 hours remaining, 234.824219 MB of memory in use. ENERGY: 1212400 3989.7968 20623.0234 14529.6184 226.4823 -203544.9313 2856.9407 0.0000 0.0000 52123.1846 -109195.8850 299.5527 -161319.0696 -108838.4381 299.6789 -124.1892 -99.9222 763866.5066 -0.4164 -0.4105 PRESSURE: 1212600 102.303 65.0083 41.5413 65.0074 174.605 -232.163 41.5417 -232.164 190.99 GPRESSURE: 1212600 169.717 65.6467 20.6546 6.8111 183.89 -323.415 49.3996 -150.08 192.854 PRESSAVG: 1212600 31.7153 3.79352 31.1373 3.7935 15.5523 -12.5752 31.1373 -12.5751 16.926 GPRESSAVG: 1212600 31.1589 3.13519 33.5311 5.72682 15.4482 -12.0415 31.7212 -13.1693 17.5263 TIMING: 1212600 CPU: 3783.97, 0.00313392/step Wall: 3783.97, 0.00313392/step, 3.29706 hours remaining, 234.824219 MB of memory in use. ENERGY: 1212600 3938.5297 20577.8354 14506.3471 234.1826 -203364.5227 2836.4305 0.0000 0.0000 52064.5014 -109206.6959 299.2154 -161271.1973 -108838.6638 299.6265 155.9661 182.1538 762844.5454 21.3979 21.3778 PRESSURE: 1212800 -47.9833 271.677 113.9 271.677 379.237 149.689 113.9 149.689 223.165 GPRESSURE: 1212800 70.7688 142.147 132.231 303.388 330.848 131.849 205.62 -41.79 238.159 PRESSAVG: 1212800 -12.887 -6.11397 5.2331 -6.11398 -2.30229 -57.5 5.23314 -57.4999 8.39386 GPRESSAVG: 1212800 -12.7035 -5.04526 4.6207 -7.03116 -1.35063 -57.884 4.43258 -57.3211 7.33995 TIMING: 1212800 CPU: 3784.6, 0.00312141/step Wall: 3784.6, 0.00312141/step, 3.28372 hours remaining, 234.824219 MB of memory in use. ENERGY: 1212800 3989.9928 20619.3204 14605.3462 239.4472 -203601.4830 3027.7277 0.0000 0.0000 52149.9153 -108969.7333 299.7063 -161119.6487 -108603.6691 299.7256 184.8061 213.2585 763025.5561 -2.2651 -2.2381 PRESSURE: 1213000 275.035 -48.9367 198.013 -48.9376 -70.5667 74.8176 198.014 74.8183 102.355 GPRESSURE: 1213000 286.182 70.56 215.142 -64.031 -47.835 136.496 160.353 -22.8399 166.046 PRESSAVG: 1213000 9.24506 -14.4991 40.6083 -14.4991 -11.4223 -31.0046 40.6084 -31.0045 -6.17008 GPRESSAVG: 1213000 9.4531 -15.5776 40.9511 -13.5649 -11.7979 -31.0899 40.3597 -31.6558 -6.13669 TIMING: 1213000 CPU: 3785.22, 0.00313776/step Wall: 3785.22, 0.00313776/step, 3.30075 hours remaining, 234.824219 MB of memory in use. ENERGY: 1213000 4005.8563 20590.2978 14538.4581 235.2710 -203107.0359 2760.6544 0.0000 0.0000 52161.5313 -108814.9670 299.7730 -160976.4983 -108456.8195 300.5870 102.2745 134.7979 762522.4134 -2.7825 -2.8272 PRESSURE: 1213200 -187.877 102.726 268.785 102.726 -345.475 -42.4984 268.784 -42.4988 -183.793 GPRESSURE: 1213200 -121.738 75.2372 191.74 105.336 -332.822 -20.0957 206.178 92.1073 -192.496 PRESSAVG: 1213200 1.0058 -4.46204 60.0519 -4.46206 11.0854 -47.2828 60.0519 -47.2829 8.70835 GPRESSAVG: 1213200 0.725894 -3.01996 58.7722 -8.50698 11.7615 -47.9973 61.4587 -47.5488 8.72539 TIMING: 1213200 CPU: 3785.85, 0.00313465/step Wall: 3785.85, 0.00313465/step, 3.29731 hours remaining, 234.824219 MB of memory in use. ENERGY: 1213200 3923.8169 20574.2901 14539.7516 245.7485 -203063.9692 2681.3354 0.0000 0.0000 52151.3320 -108947.6947 299.7144 -161099.0266 -108588.0550 300.2746 -239.0480 -215.6856 763007.8845 6.9332 7.0709 PRESSURE: 1213400 47.7875 -107.4 49.0996 -107.401 240.454 -193.435 49.0998 -193.435 -234.802 GPRESSURE: 1213400 90.7511 -69.4921 128.745 -73.6282 267.907 -236.698 18.9987 -74.6562 -230.628 PRESSAVG: 1213400 -73.1568 -55.2561 -16.3211 -55.256 57.7733 -9.39982 -16.3211 -9.39985 -2.77293 GPRESSAVG: 1213400 -74.1223 -54.8885 -16.6035 -53.3376 58.5902 -11.0798 -14.9864 -8.01344 -2.35219 TIMING: 1213400 CPU: 3786.47, 0.00311869/step Wall: 3786.47, 0.00311869/step, 3.28035 hours remaining, 234.824219 MB of memory in use. ENERGY: 1213400 3955.3431 20580.0044 14528.1901 240.2262 -203129.7527 2538.9031 0.0000 0.0000 52410.9403 -108876.1454 301.2064 -161287.0858 -108507.0929 300.3658 17.8129 42.6765 762096.9884 -6.0522 -5.9614 PRESSURE: 1213600 -139.625 -82.1539 -108.607 -82.1548 -460.587 -242.304 -108.607 -242.305 318.909 GPRESSURE: 1213600 -85.6108 -22.5023 -34.4909 -11.5544 -435.707 -295.962 -137.94 -247.726 324.263 PRESSAVG: 1213600 -14.6174 30.1168 9.68236 30.1168 46.1085 -49.1086 9.68238 -49.1085 13.6458 GPRESSAVG: 1213600 -13.1346 30.1342 12.1525 30.6552 44.7993 -47.7928 6.22591 -48.94 13.6065 TIMING: 1213600 CPU: 3787.1, 0.00313318/step Wall: 3787.1, 0.00313318/step, 3.29541 hours remaining, 234.824219 MB of memory in use. ENERGY: 1213600 4009.2498 20561.0493 14458.9077 241.6527 -202968.1000 2572.1838 0.0000 0.0000 52409.2314 -108715.8252 301.1966 -161125.0566 -108349.0625 300.1878 -93.7677 -65.6849 763562.6629 15.0456 15.0904 PRESSURE: 1213800 483.654 27.2675 23.9923 27.2677 154.403 -176.291 23.9924 -176.29 242.66 GPRESSURE: 1213800 564.416 52.9504 36.3852 26.4547 105.151 -198.86 7.12847 -169.13 276.128 PRESSAVG: 1213800 18.3874 0.689629 15.4478 0.68966 5.07791 -45.1713 15.4479 -45.1714 -3.43087 GPRESSAVG: 1213800 19.0979 -1.2171 15.3264 1.19771 4.42686 -44.6793 17.314 -47.9108 -3.94964 TIMING: 1213800 CPU: 3787.73, 0.00313525/step Wall: 3787.73, 0.00313525/step, 3.29741 hours remaining, 234.824219 MB of memory in use. ENERGY: 1213800 3929.4489 20480.5621 14502.6760 253.8116 -203149.8000 2706.3584 0.0000 0.0000 52353.9965 -108922.9465 300.8791 -161276.9430 -108543.0266 300.7543 293.5726 315.2316 761001.4075 6.6781 6.5250 PRESSURE: 1214000 -490.408 53.4175 -173.471 53.4169 -342.356 -134.329 -173.47 -134.329 -391.6 GPRESSURE: 1214000 -392.136 -10.6098 -107.011 158.3 -392.683 -56.4012 -230.033 -208.878 -363.191 PRESSAVG: 1214000 63.4094 5.06812 -26.3919 5.0682 -40.2713 -13.6028 -26.3919 -13.6028 7.55521 GPRESSAVG: 1214000 62.5093 7.24403 -27.7923 3.01343 -39.6743 -12.1111 -27.2844 -13.9589 7.41071 TIMING: 1214000 CPU: 3788.35, 0.00313371/step Wall: 3788.35, 0.00313371/step, 3.29562 hours remaining, 234.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1214000 4071.1528 20627.4150 14457.6210 250.1088 -203033.3557 2577.0249 0.0000 0.0000 51935.1327 -109114.9005 298.4719 -161050.0332 -108758.7287 300.0501 -408.1212 -382.6698 761528.7466 10.2311 10.0819 PRESSURE: 1214200 102.08 -23.6077 47.893 -23.6074 -30.4019 127.91 47.8932 127.91 -277.739 GPRESSURE: 1214200 140.491 59.7688 28.1117 47.5639 -33.892 110.431 18.2334 93.9437 -208.052 PRESSAVG: 1214200 -6.39157 -7.988 -10.299 -7.988 39.0891 -1.24147 -10.2989 -1.24147 -17.2327 GPRESSAVG: 1214200 -5.92253 -9.03613 -9.43708 -7.85641 38.159 -2.06397 -10.5317 -0.694948 -17.0142 TIMING: 1214200 CPU: 3788.98, 0.00312717/step Wall: 3788.98, 0.00312717/step, 3.28857 hours remaining, 234.824219 MB of memory in use. ENERGY: 1214200 4055.6503 20405.5671 14436.7064 248.8664 -203254.0575 2924.5183 0.0000 0.0000 52156.8642 -109025.8847 299.7462 -161182.7489 -108660.7085 300.2580 -68.6870 -33.8176 762467.3263 5.1550 5.0741 PRESSURE: 1214400 -149.123 104.222 202.843 104.223 -170.683 -155.799 202.844 -155.797 -672.531 GPRESSURE: 1214400 -176.241 19.9733 92.7003 123.002 -214.37 -167.617 247.12 -130.293 -509.051 PRESSAVG: 1214400 -51.3661 -13.0571 57.8734 -13.0571 -5.63764 -56.1375 57.8734 -56.1374 16.675 GPRESSAVG: 1214400 -53.9137 -12.4801 56.3546 -10.9461 -4.77035 -56.1178 60.0412 -55.9732 18.2714 TIMING: 1214400 CPU: 3789.61, 0.0031286/step Wall: 3789.61, 0.0031286/step, 3.2899 hours remaining, 234.824219 MB of memory in use. ENERGY: 1214400 4038.0380 20509.9423 14486.5838 254.6143 -202812.4055 2453.1102 0.0000 0.0000 52164.8200 -108905.2970 299.7919 -161070.1170 -108534.5338 300.2629 -330.7788 -299.8872 764962.5212 -13.4429 -13.4709 PRESSURE: 1214600 -216.323 -25.8984 -98.3922 -25.8981 -141.889 71.5163 -98.3924 71.515 467.137 GPRESSURE: 1214600 -237.293 13.4902 -105.614 23.3549 -127.179 -6.33868 -92.5415 -26.0178 547.539 PRESSAVG: 1214600 -38.8138 -72.9932 8.41992 -72.9932 32.5331 3.50725 8.4199 3.50726 1.73112 GPRESSAVG: 1214600 -37.1323 -70.2459 8.96619 -77.3143 32.5399 3.55081 5.67864 1.746 0.3568 TIMING: 1214600 CPU: 3790.23, 0.00312485/step Wall: 3790.23, 0.00312485/step, 3.28578 hours remaining, 234.824219 MB of memory in use. ENERGY: 1214600 4025.0257 20580.6950 14446.7612 246.7556 -203387.3177 2810.7020 0.0000 0.0000 52172.0581 -109105.3200 299.8335 -161277.3781 -108743.3687 300.2759 36.3084 61.0225 763891.7670 -1.5166 -1.4119 PRESSURE: 1214800 111.96 144.969 14.8794 144.969 -81.3219 257.213 14.8791 257.213 213.272 GPRESSURE: 1214800 122.098 161.228 -22.9297 209.236 -70.1365 250.386 96.5508 72.0922 273.914 PRESSAVG: 1214800 -35.7009 3.08868 -31.316 3.08868 53.8949 -78.6554 -31.3159 -78.6554 22.5742 GPRESSAVG: 1214800 -37.6706 -0.636931 -30.5171 7.70924 55.5604 -77.995 -32.4142 -78.3584 23.047 TIMING: 1214800 CPU: 3790.86, 0.00315313/step Wall: 3790.86, 0.00315313/step, 3.31534 hours remaining, 234.824219 MB of memory in use. ENERGY: 1214800 4009.7484 20697.4030 14382.7963 265.1074 -203397.5226 2756.2876 0.0000 0.0000 52217.3748 -109068.8051 300.0940 -161286.1799 -108706.3207 300.1746 81.3033 108.6251 764325.4112 13.5894 13.6456 PRESSURE: 1215000 202.886 71.289 -90.3611 71.29 3.03628 -42.158 -90.3603 -42.1583 -226.265 GPRESSURE: 1215000 157.093 -16.3364 -7.18408 120.944 89.7304 33.4304 -146.105 -85.1361 -192.596 PRESSAVG: 1215000 14.3175 19.4812 -44.6626 19.4813 -39.4293 -49.5064 -44.6626 -49.5063 13.2432 GPRESSAVG: 1215000 14.1784 21.2937 -44.9286 17.3054 -39.9845 -50.763 -43.63 -49.5883 13.721 TIMING: 1215000 CPU: 3791.49, 0.00314273/step Wall: 3791.49, 0.00314273/step, 3.30423 hours remaining, 234.824219 MB of memory in use. ENERGY: 1215000 4053.2616 20669.0325 14401.4809 241.1802 -203427.2988 3046.4861 0.0000 0.0000 51821.4986 -109194.3589 297.8189 -161015.8575 -108840.0597 299.4489 -6.7811 18.0759 763355.6199 -3.9562 -4.0283 PRESSURE: 1215200 404.667 8.68687 -151.721 8.68777 435.183 97.7878 -151.721 97.7885 549.829 GPRESSURE: 1215200 400.292 103.573 -102.402 43.6826 573.285 56.1528 -114.044 136.315 496.782 PRESSAVG: 1215200 19.4809 -12.8327 28.8392 -12.8326 -0.535986 -21.5281 28.8393 -21.5282 -9.32372 GPRESSAVG: 1215200 21.139 -15.2684 28.9318 -10.0866 -1.02021 -19.7002 28.8338 -21.2395 -10.4591 TIMING: 1215200 CPU: 3792.12, 0.00313715/step Wall: 3792.12, 0.00313715/step, 3.29819 hours remaining, 234.824219 MB of memory in use. ENERGY: 1215200 3960.2525 20495.3673 14522.2527 238.0399 -203810.5707 3047.3819 0.0000 0.0000 52008.6945 -109538.5820 298.8947 -161547.2765 -109163.2662 299.2593 463.2263 490.1199 760424.9765 3.2071 3.2199 PRESSURE: 1215400 -93.5032 -72.2967 283.761 -72.2978 -256.347 56.3767 283.761 56.3774 -248.817 GPRESSURE: 1215400 -105.083 -164.202 291.036 -24.9902 -208.305 53.4851 351.383 -81.5977 -193.377 PRESSAVG: 1215400 -10.4518 9.90494 22.5238 9.9049 8.4476 -41.0134 22.5237 -41.0134 -12.0809 GPRESSAVG: 1215400 -12.0431 11.9335 22.9625 9.53886 9.77807 -41.4811 24.0708 -41.0842 -11.2105 TIMING: 1215400 CPU: 3792.74, 0.00312291/step Wall: 3792.74, 0.00312291/step, 3.28304 hours remaining, 234.824219 MB of memory in use. ENERGY: 1215400 4020.9694 20666.3775 14420.7185 259.8303 -203789.5803 2901.3652 0.0000 0.0000 51924.1485 -109596.1709 298.4088 -161520.3194 -109234.4439 298.8771 -199.5560 -168.9214 761729.6969 -4.6950 -4.4918 PRESSURE: 1215600 -62.2438 -199.409 -19.9373 -199.409 -253.344 121.634 -19.9373 121.632 -125.453 GPRESSURE: 1215600 51.1933 -112.024 14.0125 -141.251 -317.29 186.941 -22.8808 158.388 -90.4146 PRESSAVG: 1215600 -26.1959 0.876951 14.8418 0.877036 25.119 38.2811 14.8418 38.2811 -18.3027 GPRESSAVG: 1215600 -24.2519 0.711306 15.4765 1.2428 24.4782 36.9205 13.0456 39.0111 -19.7289 TIMING: 1215600 CPU: 3793.36, 0.00310788/step Wall: 3793.36, 0.00310788/step, 3.26708 hours remaining, 234.824219 MB of memory in use. ENERGY: 1215600 4061.3022 20486.4858 14435.6698 245.5978 -203419.8219 2554.2218 0.0000 0.0000 52044.9707 -109591.5739 299.1032 -161636.5446 -109227.9838 298.5995 -147.0138 -118.8371 761703.1566 -6.4599 -6.5009 PRESSURE: 1215800 320.641 170.136 -101.617 170.136 -44.7696 157.538 -101.618 157.537 -319.71 GPRESSURE: 1215800 230.541 181.522 25.1718 275.541 85.4746 113.887 -29.383 196.672 -282.573 PRESSAVG: 1215800 -27.7613 -8.61865 42.9346 -8.61867 41.8803 9.16593 42.9345 9.16597 22.6231 GPRESSAVG: 1215800 -28.5225 -8.35697 42.4738 -9.15013 41.3303 10.162 44.2727 8.99711 23.596 TIMING: 1215800 CPU: 3793.99, 0.0031329/step Wall: 3793.99, 0.0031329/step, 3.2932 hours remaining, 234.824219 MB of memory in use. ENERGY: 1215800 3998.4141 20569.4158 14484.7763 242.5740 -203763.9840 3047.3444 0.0000 0.0000 51877.5178 -109543.9416 298.1408 -161421.4594 -109176.0168 299.0890 -14.6128 11.1476 762300.2374 12.2474 12.1346 PRESSURE: 1216000 -226.937 1.49132 172.231 1.49148 -97.9373 -89.8644 172.23 -89.864 -44.615 GPRESSURE: 1216000 -171.728 89.2641 78.7154 -100.504 -42.5739 -61.0357 80.5834 2.44331 -42.0375 PRESSAVG: 1216000 13.3404 66.1739 9.43707 66.1739 9.56021 1.17432 9.43706 1.17443 6.62389 GPRESSAVG: 1216000 14.2241 68.9708 6.18321 65.0537 10.0538 1.07142 11.2551 0.293031 6.64416 TIMING: 1216000 CPU: 3794.61, 0.00311474/step Wall: 3794.61, 0.00311474/step, 3.27394 hours remaining, 234.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1216000 4085.8218 20575.0075 14480.3844 241.6219 -203535.9177 2795.3174 0.0000 0.0000 51781.0424 -109576.7223 297.5864 -161357.7647 -109212.7368 298.9442 -123.1633 -85.4466 762319.4540 9.8415 10.3073 PRESSURE: 1216200 -439.116 -5.24298 74.5419 -5.24237 2.89429 21.2908 74.5416 21.2909 -99.4443 GPRESSURE: 1216200 -358.765 -59.6831 41.5296 -70.4856 18.4253 45.2884 134.715 33.8604 -121.001 PRESSAVG: 1216200 -17.9671 25.0866 -32.7066 25.0866 12.3442 -55.988 -32.7066 -55.988 -21.9121 GPRESSAVG: 1216200 -18.1767 21.7712 -30.5963 26.8975 12.3964 -55.9621 -34.4456 -55.7836 -22.1113 TIMING: 1216200 CPU: 3795.24, 0.00311502/step Wall: 3795.24, 0.00311502/step, 3.27405 hours remaining, 234.824219 MB of memory in use. ENERGY: 1216200 3902.3581 20609.8631 14540.2433 238.7890 -203341.5728 2722.0543 0.0000 0.0000 51782.1612 -109546.1038 297.5928 -161328.2650 -109188.9766 298.5558 -178.5555 -153.7801 762547.8600 -9.1783 -9.2972 LDB: ============= START OF LOAD BALANCING ============== 3807.71 LDB: ============== END OF LOAD BALANCING =============== 3807.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3807.71 LDB: ============= START OF LOAD BALANCING ============== 3808.03 LDB: Largest compute 7002 load 0.029452 is 15.1% of average load 0.195086 LDB: Average compute 0.004359 is 2.2% of average load 0.195086 LDB: TIME 3808.03 LOAD: AVG 0.195086 MAX 0.212282 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.23 MB LDB: TIME 3808.03 LOAD: AVG 0.195086 MAX 0.212282 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.23 MB LDB: TIME 3808.03 LOAD: AVG 0.195086 MAX 0.212282 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.23 MB LDB: ============== END OF LOAD BALANCING =============== 3808.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3808.04 PRESSURE: 1216400 -104.28 -92.9905 38.8078 -92.9908 -121.328 136.904 38.8073 136.904 238.08 GPRESSURE: 1216400 -51.8001 -39.2227 74.8925 -19.8152 -26.2828 161.666 88.4222 120.198 177.81 PRESSAVG: 1216400 -8.0166 1.67597 14.5212 1.67599 32.7455 9.25401 14.5212 9.25401 13.8187 GPRESSAVG: 1216400 -9.03756 1.84476 14.6069 0.713463 33.7798 10.1719 15.6801 8.52554 14.3348 TIMING: 1216400 CPU: 3795.87, 0.0031731/step Wall: 3795.87, 0.0031731/step, 3.33493 hours remaining, 233.742188 MB of memory in use. ENERGY: 1216400 3969.6129 20583.7194 14533.3823 248.0138 -203278.7977 2625.2711 0.0000 0.0000 51927.7263 -109391.0719 298.4294 -161318.7982 -109034.0472 298.6672 4.1571 33.2425 762718.2569 12.8492 13.0257 PRESSURE: 1216600 -5.28719 -141.208 66.9545 -141.208 -64.383 -80.3712 66.9543 -80.3702 -119.583 GPRESSURE: 1216600 32.1368 -124.138 66.8037 9.01409 -74.4034 -118.351 -60.8867 -4.61511 -63.545 PRESSAVG: 1216600 12.0325 -23.4285 -59.9281 -23.4286 -4.54262 28.0642 -59.9282 28.0642 -25.5723 GPRESSAVG: 1216600 12.6656 -21.6304 -57.63 -25.0827 -4.50344 27.5265 -61.8913 28.4106 -25.8066 TIMING: 1216600 CPU: 3796.49, 0.00311738/step Wall: 3796.49, 0.00311738/step, 3.27619 hours remaining, 233.742188 MB of memory in use. ENERGY: 1216600 3981.1637 20649.4874 14533.6419 268.6092 -203607.6786 2676.1383 0.0000 0.0000 52179.0902 -109319.5480 299.8739 -161498.6382 -108961.8856 298.7895 -63.0844 -35.2705 762863.5152 -6.0275 -5.8815 PRESSURE: 1216800 79.3712 -236.036 256.81 -236.037 156.606 -61.1745 256.81 -61.1745 -253.577 GPRESSURE: 1216800 103.284 -126.867 64.538 -171.529 231.912 -50.6572 270.487 -172.433 -272.939 PRESSAVG: 1216800 19.0091 -7.50155 21.9412 -7.50155 9.92907 68.3721 21.9413 68.372 -7.25008 GPRESSAVG: 1216800 18.8978 -9.06293 18.272 -6.27205 10.29 67.1887 21.7365 69.0037 -7.19573 TIMING: 1216800 CPU: 3797.12, 0.00313212/step Wall: 3797.12, 0.00313212/step, 3.29151 hours remaining, 233.742188 MB of memory in use. ENERGY: 1216800 3971.4767 20628.4607 14541.0934 249.7272 -203477.2780 2708.5125 0.0000 0.0000 52030.0161 -109347.9913 299.0172 -161378.0074 -108986.8283 299.2650 -5.8667 20.7521 761272.7599 7.2294 7.3307 PRESSURE: 1217000 264.231 -34.0232 50.5881 -34.023 310.918 128.093 50.5891 128.093 125.061 GPRESSURE: 1217000 238.557 40.239 30.2202 -71.6323 415.179 242.777 65.4814 91.1084 123.085 PRESSAVG: 1217000 -19.7498 -40.9679 37.3271 -40.9679 41.844 -6.81738 37.3271 -6.81742 -11.1295 GPRESSAVG: 1217000 -19.1576 -41.0471 39.9718 -40.3504 40.5369 -5.76758 39.7707 -7.44831 -10.3344 TIMING: 1217000 CPU: 3797.74, 0.00311413/step Wall: 3797.74, 0.00311413/step, 3.27243 hours remaining, 233.742188 MB of memory in use. ENERGY: 1217000 3922.2792 20350.3920 14528.8137 251.7110 -203425.9818 2826.9316 0.0000 0.0000 52292.0545 -109253.7998 300.5232 -161545.8543 -108889.2833 299.3607 233.4033 258.9404 763752.5628 3.6549 3.6816 PRESSURE: 1217200 128.305 -25.1299 -58.1745 -25.1302 -53.7992 106.666 -58.1749 106.666 -66.834 GPRESSURE: 1217200 128.983 -152.865 -8.03861 9.66361 44.5984 40.2979 -84.7874 138.085 -85.7548 PRESSAVG: 1217200 14.4792 -40.676 3.11932 -40.676 33.0877 28.8757 3.11928 28.8757 -7.89198 GPRESSAVG: 1217200 14.0377 -39.512 3.84643 -42.1693 33.7303 28.8474 0.959634 28.6591 -8.46734 TIMING: 1217200 CPU: 3798.37, 0.0031195/step Wall: 3798.37, 0.0031195/step, 3.2779 hours remaining, 233.742188 MB of memory in use. ENERGY: 1217200 3953.1078 20517.0133 14485.4020 256.5467 -203297.1978 2928.8397 0.0000 0.0000 51934.5634 -109221.7249 298.4686 -161156.2882 -108848.3853 299.3476 2.5573 29.2756 762077.7137 13.2250 13.1002 PRESSURE: 1217400 102.132 119.536 41.3609 119.537 81.4202 242.524 41.3616 242.525 -291.03 GPRESSURE: 1217400 125.916 141.569 116.647 100.46 76.7509 238.249 25.2967 132.014 -231.575 PRESSAVG: 1217400 3.13103 -15.6564 -39.137 -15.6565 41.0337 3.2131 -39.137 3.21313 -4.25765 GPRESSAVG: 1217400 3.42061 -17.1013 -40.7159 -14.7074 40.1854 1.80133 -38.5769 3.5715 -4.04651 TIMING: 1217400 CPU: 3798.99, 0.00310244/step Wall: 3798.99, 0.00310244/step, 3.2598 hours remaining, 233.742188 MB of memory in use. ENERGY: 1217400 3968.0247 20553.3189 14480.2590 241.0446 -203151.7219 2623.6193 0.0000 0.0000 52171.6478 -109113.8076 299.8312 -161285.4554 -108744.9697 299.4916 -35.8260 -9.6361 763401.5045 13.3024 13.1865 PRESSURE: 1217600 117.356 -39.0552 -141.428 -39.0548 -147.818 13.8472 -141.428 13.8481 -273.667 GPRESSURE: 1217600 102.528 -119.71 -104.989 46.0544 -138.17 -38.664 -278.434 79.551 -203.3 PRESSAVG: 1217600 -16.1591 -10.803 -1.05616 -10.803 48.2042 28.4812 -1.0562 28.4812 -0.871198 GPRESSAVG: 1217600 -16.4806 -9.14816 0.514972 -11.1316 49.0797 31.3407 -0.781311 25.5897 -1.38107 TIMING: 1217600 CPU: 3799.61, 0.00311805/step Wall: 3799.61, 0.00311805/step, 3.27603 hours remaining, 233.742188 MB of memory in use. ENERGY: 1217600 3985.4955 20687.7937 14471.6028 254.4127 -203373.8561 2751.4915 0.0000 0.0000 52195.3078 -109027.7522 299.9672 -161223.0600 -108667.2385 299.4215 -101.3761 -79.6476 764774.9973 10.3913 10.4060 PRESSURE: 1217800 -209.014 -133.229 -165.141 -133.228 -206.891 230.388 -165.142 230.388 69.1967 GPRESSURE: 1217800 -180.476 -205.682 -88.5014 -292.513 -191.393 249.079 -260.798 269.967 78.6974 PRESSAVG: 1217800 -3.78169 -43.0721 -18.6713 -43.0722 -43.03 26.4437 -18.6713 26.4437 11.9628 GPRESSAVG: 1217800 -3.93019 -43.5813 -18.1559 -42.8827 -43.2778 26.082 -18.6314 29.0783 12.5528 TIMING: 1217800 CPU: 3800.23, 0.00311074/step Wall: 3800.23, 0.00311074/step, 3.26818 hours remaining, 233.742188 MB of memory in use. ENERGY: 1217800 3939.1542 20574.5168 14467.5275 256.5325 -203376.9838 2788.2698 0.0000 0.0000 52061.4507 -109289.5322 299.1979 -161350.9829 -108924.4586 299.6754 -115.5695 -97.7240 765060.4215 -11.6163 -11.5517 PRESSURE: 1218000 -169.249 -43.1546 -192.291 -43.1556 39.4091 26.8989 -192.293 26.8989 332.057 GPRESSURE: 1218000 -191.451 -33.8961 -185.672 -175.243 124.068 31.5988 -61.4305 60.9988 357.411 PRESSAVG: 1218000 -4.16116 -90.8746 -24.9333 -90.8746 -22.9186 19.7002 -24.9333 19.7002 -0.242533 GPRESSAVG: 1218000 -3.93225 -91.1984 -26.9763 -91.5955 -21.9385 18.5891 -21.7315 19.4251 -1.01724 TIMING: 1218000 CPU: 3800.86, 0.00313687/step Wall: 3800.86, 0.00313687/step, 3.29546 hours remaining, 233.742188 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: 1218000 3901.5084 20453.1185 14451.3762 219.5953 -202982.6251 2602.8805 0.0000 0.0000 52038.8265 -109315.3198 299.0679 -161354.1463 -108939.3942 299.0945 67.4056 96.6763 763119.2225 -9.1074 -8.9627 PRESSURE: 1218200 104.66 -189.8 335.528 -189.801 -282.262 88.0599 335.529 88.0588 -441.412 GPRESSURE: 1218200 121.359 -161.42 239.225 -108.052 -231.6 38.3075 271.952 55.7713 -410.821 PRESSAVG: 1218200 51.8644 -74.6382 5.85843 -74.6383 12.3504 -25.7909 5.85845 -25.7909 5.77409 GPRESSAVG: 1218200 52.4941 -73.6032 5.23055 -73.0096 10.1066 -24.6174 3.39947 -26.3006 6.89393 TIMING: 1218200 CPU: 3801.48, 0.00311998/step Wall: 3801.48, 0.00311998/step, 3.27754 hours remaining, 233.742188 MB of memory in use. ENERGY: 1218200 3990.0071 20331.9794 14434.6033 256.7736 -202832.4993 2525.5690 0.0000 0.0000 51870.8913 -109422.6757 298.1027 -161293.5670 -109051.0388 298.6843 -206.3382 -173.6874 763757.8706 23.3296 23.1649 PRESSURE: 1218400 52.9481 -9.30638 -126.565 -9.30682 59.7692 -78.7674 -126.565 -78.7677 -101.827 GPRESSURE: 1218400 150.927 -32.8161 -224.135 63.8167 100.143 -17.9014 -77.367 -210.744 -170.003 PRESSAVG: 1218400 -1.79309 -56.4612 11.8333 -56.4611 2.4209 3.72777 11.8333 3.72775 -8.36316 GPRESSAVG: 1218400 -2.86619 -55.1565 14.1725 -56.7977 2.74971 3.77461 10.1751 2.4212 -7.76903 TIMING: 1218400 CPU: 3802.11, 0.00312537/step Wall: 3802.11, 0.00312537/step, 3.28303 hours remaining, 233.742188 MB of memory in use. ENERGY: 1218400 4081.1746 20553.2693 14431.4658 254.5844 -203658.1865 3063.0052 0.0000 0.0000 52177.8319 -109096.8554 299.8667 -161274.6873 -108738.4161 299.1692 3.6300 27.0225 762519.4518 -2.5785 -2.6285 PRESSURE: 1218600 142.096 133.189 31.5539 133.188 -15.2369 92.0796 31.555 92.0796 160.118 GPRESSURE: 1218600 166.235 133.978 -64.3824 124.636 118.85 99.0148 145.054 165.86 90.2484 PRESSAVG: 1218600 52.0008 -27.8426 -66.8289 -27.8426 -29.9879 29.8555 -66.8289 29.8555 -21.8658 GPRESSAVG: 1218600 51.3891 -30.6548 -67.2052 -26.6531 -28.683 29.3417 -65.4104 30.6202 -22.112 TIMING: 1218600 CPU: 3802.73, 0.0031217/step Wall: 3802.73, 0.0031217/step, 3.27899 hours remaining, 233.742188 MB of memory in use. ENERGY: 1218600 3949.7265 20418.6957 14482.8287 253.2193 -203515.4601 3076.4942 0.0000 0.0000 52124.2778 -109210.2179 299.5589 -161334.4957 -108844.6376 299.4640 95.6589 125.1114 764232.0115 0.0490 0.1981 PRESSURE: 1218800 -49.9278 41.9202 -43.1751 41.9203 -132.812 -131.115 -43.1745 -131.114 500.26 GPRESSURE: 1218800 -29.6987 -82.3371 -42.7228 66.8979 -99.213 -219.893 -26.417 -56.6526 492.621 PRESSAVG: 1218800 22.4626 14.5007 3.38419 14.5008 -10.3157 -1.44365 3.38414 -1.44358 34.5657 GPRESSAVG: 1218800 23.4589 14.3132 3.12605 14.6322 -9.35926 -0.681613 5.73373 -0.336328 32.8168 TIMING: 1218800 CPU: 3803.36, 0.00311304/step Wall: 3803.36, 0.00311304/step, 3.26973 hours remaining, 233.742188 MB of memory in use. ENERGY: 1218800 4008.5703 20500.5112 14494.6952 244.1935 -203533.3539 2929.1225 0.0000 0.0000 52083.7434 -109272.5178 299.3260 -161356.2611 -108920.8080 299.1924 105.8399 121.2365 762438.7593 15.5709 15.6388 PRESSURE: 1219000 120.824 -76.7828 122.819 -76.782 269.14 32.9883 122.82 32.9883 -59.5155 GPRESSURE: 1219000 116.766 -179.982 176.819 -158.499 205.36 37.6513 165.638 -95.7157 67.3114 PRESSAVG: 1219000 3.08365 24.8637 67.3759 24.8637 -34.0599 -27.7638 67.3759 -27.7637 11.7977 GPRESSAVG: 1219000 2.37059 25.7246 66.7524 24.4987 -34.9185 -30.7648 67.3137 -28.3078 13.2619 TIMING: 1219000 CPU: 3803.98, 0.00312746/step Wall: 3803.98, 0.00312746/step, 3.2847 hours remaining, 233.742188 MB of memory in use. ENERGY: 1219000 3995.5599 20602.1797 14507.2314 257.8543 -203441.5876 3003.7422 0.0000 0.0000 51794.8380 -109280.1821 297.6656 -161075.0201 -108930.4889 299.3412 110.1493 129.8128 764579.2514 -6.3928 -6.4287 PRESSURE: 1219200 144.871 58.5694 115.728 58.5692 105.629 -67.3596 115.729 -67.3591 20.0697 GPRESSURE: 1219200 164.755 29.7233 107.291 -0.733447 72.573 -91.2971 65.0629 -22.4765 128.833 PRESSAVG: 1219200 15.5049 -16.5664 26.1444 -16.5663 -29.4453 37.541 26.1444 37.541 -13.904 GPRESSAVG: 1219200 15.216 -16.3443 26.3421 -19.0495 -30.6631 39.6908 24.6891 38.1801 -12.4695 TIMING: 1219200 CPU: 3804.61, 0.00313797/step Wall: 3804.61, 0.00313797/step, 3.29557 hours remaining, 233.742188 MB of memory in use. ENERGY: 1219200 3980.6663 20494.1888 14395.4977 240.7895 -202954.2957 2670.5876 0.0000 0.0000 51935.6501 -109236.9157 298.4749 -161172.5658 -108860.5053 298.9756 90.1897 122.0536 763422.4035 -9.2815 -9.3055 PRESSURE: 1219400 -236.636 -34.704 154.576 -34.704 -7.33257 -47.8831 154.576 -47.8826 251.496 GPRESSURE: 1219400 -208.204 -98.7774 162.06 16.0441 118.995 26.8867 77.0529 -170.871 194.476 PRESSAVG: 1219400 24.0072 -4.29173 22.0388 -4.29167 -3.7916 -0.281741 22.0388 -0.281741 -5.7527 GPRESSAVG: 1219400 24.4792 -4.27852 22.3845 -2.23629 -3.203 0.470873 20.9628 -0.13519 -6.87597 TIMING: 1219400 CPU: 3805.24, 0.0031355/step Wall: 3805.24, 0.0031355/step, 3.2928 hours remaining, 233.742188 MB of memory in use. ENERGY: 1219400 3994.6607 20559.0405 14438.4148 250.9226 -203227.6403 2615.8511 0.0000 0.0000 51945.1147 -109423.6359 298.5293 -161368.7506 -109061.7051 299.1527 2.5090 35.0894 762785.1478 4.8210 4.8001 PRESSURE: 1219600 -264.236 -41.4952 -154.487 -41.4961 -290.655 70.5593 -154.487 70.5599 -171.837 GPRESSURE: 1219600 -194.155 -29.3737 -150.669 64.2003 -244.679 73.1601 -46.3586 115.359 -197.119 PRESSAVG: 1219600 46.1739 -51.4146 -2.61141 -51.4146 -32.1724 29.0207 -2.6114 29.0207 -18.2833 GPRESSAVG: 1219600 46.9646 -51.5996 -1.95886 -51.4053 -32.0458 26.6067 -1.61646 29.8851 -18.8938 TIMING: 1219600 CPU: 3805.86, 0.00312915/step Wall: 3805.86, 0.00312915/step, 3.28595 hours remaining, 233.742188 MB of memory in use. ENERGY: 1219600 3936.4435 20499.4200 14415.5357 250.8236 -203285.5630 2688.3636 0.0000 0.0000 52206.5647 -109288.4119 300.0318 -161494.9765 -108921.1457 299.2132 -242.2428 -211.9846 762748.8681 -1.4272 -1.3250 PRESSURE: 1219800 109.08 68.311 42.7032 68.3117 -20.1756 326.348 42.7026 326.348 -137.851 GPRESSURE: 1219800 22.0783 128.868 47.0286 62.0554 83.3582 416.663 63.7171 265.861 -75.5743 PRESSAVG: 1219800 4.45744 -10.6379 -6.68058 -10.6378 -3.03031 13.3447 -6.68051 13.3447 -0.041816 GPRESSAVG: 1219800 4.6287 -10.5608 -7.01658 -12.9564 -2.68506 16.8211 -6.15625 12.0728 -0.327588 TIMING: 1219800 CPU: 3806.49, 0.00312411/step Wall: 3806.49, 0.00312411/step, 3.28049 hours remaining, 233.742188 MB of memory in use. ENERGY: 1219800 4077.2483 20341.5090 14414.2020 245.9442 -203709.1314 3175.6138 0.0000 0.0000 52207.4681 -109247.1460 300.0370 -161454.6140 -108886.2903 299.0600 -16.3154 9.9541 761793.2646 0.4618 0.5387 PRESSURE: 1220000 129.324 -85.3842 70.6612 -85.3855 322.833 23.9195 70.6608 23.9183 -146.156 GPRESSURE: 1220000 193.785 -94.1453 61.9716 30.8564 383.686 4.89476 77.9406 -37.5967 -180.429 PRESSAVG: 1220000 12.7863 -37.7567 -32.2533 -37.7566 22.3016 31.5937 -32.2533 31.5938 11.8576 GPRESSAVG: 1220000 12.4672 -37.6506 -32.4278 -34.3142 23.19 30.1185 -32.5897 31.3408 11.8688 TIMING: 1220000 CPU: 3807.11, 0.00312599/step Wall: 3807.11, 0.00312599/step, 3.28229 hours remaining, 233.742188 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: 1220000 3845.5229 20616.8178 14354.0453 251.0080 -203931.9003 3255.7829 0.0000 0.0000 52153.2343 -109455.4890 299.7254 -161608.7233 -109094.2989 299.6125 102.0005 132.3474 762650.0636 15.6485 15.8420 PRESSURE: 1220200 371.416 -51.3113 233.126 -51.3114 -109.79 143.094 233.125 143.093 -179.499 GPRESSURE: 1220200 368.082 -40.1144 281.678 -122.337 6.75418 188.194 169.533 140.515 -218.287 PRESSAVG: 1220200 -3.86685 -3.67455 -18.0399 -3.67456 3.83527 39.8313 -18.0399 39.8313 -9.17332 GPRESSAVG: 1220200 -4.3132 -2.24607 -17.766 -4.67003 3.37783 39.3284 -19.3605 38.857 -8.09994 TIMING: 1220200 CPU: 3807.74, 0.00312282/step Wall: 3807.74, 0.00312282/step, 3.27879 hours remaining, 233.742188 MB of memory in use. ENERGY: 1220200 3952.7303 20516.1339 14420.9000 241.1370 -203818.8393 3075.0895 0.0000 0.0000 52206.0124 -109406.8363 300.0287 -161612.8488 -109034.9446 298.8042 27.3753 52.1831 762188.2834 -3.0683 -3.0118 LDB: ============= START OF LOAD BALANCING ============== 3820.22 LDB: ============== END OF LOAD BALANCING =============== 3820.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3820.22 LDB: ============= START OF LOAD BALANCING ============== 3820.53 LDB: Largest compute 7010 load 0.030213 is 15.5% of average load 0.195170 LDB: Average compute 0.004359 is 2.2% of average load 0.195170 LDB: TIME 3820.54 LOAD: AVG 0.19517 MAX 0.213079 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.055 MB LDB: TIME 3820.54 LOAD: AVG 0.19517 MAX 0.213079 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.125 MB LDB: TIME 3820.54 LOAD: AVG 0.19517 MAX 0.213079 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.125 MB LDB: ============== END OF LOAD BALANCING =============== 3820.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3820.54 PRESSURE: 1220400 -397.908 -13.9343 39.7248 -13.9341 -45.4889 -150.823 39.7251 -150.823 -257.117 GPRESSURE: 1220400 -324.087 -124.152 -34.7856 -2.37145 -33.3713 -132.254 -13.7307 -77.5736 -247.743 PRESSAVG: 1220400 -2.43611 11.3895 -4.92803 11.3896 22.9621 14.4492 -4.92806 14.4492 9.21491 GPRESSAVG: 1220400 -2.72301 8.53061 -3.32728 12.2996 24.0124 13.5986 -4.73457 16.6032 8.85595 TIMING: 1220400 CPU: 3808.38, 0.0031996/step Wall: 3808.38, 0.0031996/step, 3.35922 hours remaining, 234.953125 MB of memory in use. ENERGY: 1220400 4051.8245 20501.7615 14422.4604 257.4216 -203291.8967 2549.0683 0.0000 0.0000 52319.0624 -109190.2980 300.6784 -161509.3604 -108817.9539 299.4133 -233.5045 -201.7336 761931.3959 9.9136 10.0484 PRESSURE: 1220600 -169.749 106.807 -153.15 106.807 192.92 66.3426 -153.151 66.3426 78.1172 GPRESSURE: 1220600 -38.0433 71.3381 -68.9035 30.5195 130.178 8.11989 -164.25 63.7136 82.375 PRESSAVG: 1220600 -47.5646 -4.84221 27.9059 -4.84224 62.6039 17.9985 27.9059 17.9986 13.7214 GPRESSAVG: 1220600 -46.0599 -3.60484 27.2162 -5.92003 60.9875 17.7312 27.2056 16.9897 13.9969 TIMING: 1220600 CPU: 3809, 0.00311283/step Wall: 3809, 0.00311283/step, 3.26795 hours remaining, 235.152344 MB of memory in use. ENERGY: 1220600 3895.1581 20753.7033 14440.0920 221.2154 -203257.9639 2707.7372 0.0000 0.0000 52137.7691 -109102.2888 299.6365 -161240.0579 -108734.2362 299.6577 33.7627 58.1700 761738.7144 9.5869 9.6415 PRESSURE: 1220800 41.8191 38.8555 -54.1197 38.8551 545.955 -326.898 -54.1204 -326.898 8.66877 GPRESSURE: 1220800 110.025 51.1387 -36.6001 0.259817 482.395 -348.067 -3.66761 -184.592 74.7726 PRESSAVG: 1220800 -49.1668 -7.58846 -25.7267 -7.58861 -8.70051 27.5071 -25.7267 27.507 0.464926 GPRESSAVG: 1220800 -50.1072 -8.41828 -27.3343 -7.84989 -8.0918 29.1842 -23.9143 27.8841 0.24361 TIMING: 1220800 CPU: 3809.63, 0.0031329/step Wall: 3809.63, 0.00313291/step, 3.28885 hours remaining, 235.152344 MB of memory in use. ENERGY: 1220800 4017.3880 20515.4109 14508.9999 241.6920 -203258.3490 2714.2237 0.0000 0.0000 51960.5771 -109300.0575 298.6182 -161260.6346 -108932.2175 299.2765 198.8141 222.3975 763665.1180 -19.1341 -19.3185 PRESSURE: 1221000 90.0908 -158.329 67.6957 -158.329 -31.3218 -4.96941 67.6964 -4.96924 -14.3461 GPRESSURE: 1221000 135.672 -94.7827 127.105 -148.191 9.33441 28.5786 -0.413713 -69.5654 -24.6561 PRESSAVG: 1221000 51.4378 39.018 -56.4055 39.018 -35.1668 -13.4026 -56.4055 -13.4025 2.63726 GPRESSAVG: 1221000 51.0027 41.2704 -56.3434 42.4336 -34.7739 -13.675 -56.1373 -13.6748 2.49797 TIMING: 1221000 CPU: 3810.26, 0.00314678/step Wall: 3810.26, 0.00314678/step, 3.30324 hours remaining, 235.152344 MB of memory in use. ENERGY: 1221000 4035.1175 20687.6252 14480.0821 262.0161 -203646.0802 2896.8589 0.0000 0.0000 51957.2516 -109327.1287 298.5990 -161284.3803 -108965.4679 299.2988 14.8076 40.1166 761518.3870 6.3027 6.2422 PRESSURE: 1221200 282.088 -37.0568 -77.5235 -37.0571 275.876 201.511 -77.5243 201.51 -210.019 GPRESSURE: 1221200 285.066 -45.0389 -21.5641 -37.1765 265.283 280.221 -113.027 248.626 -130.675 PRESSAVG: 1221200 -23.8818 -10.5065 -21.537 -10.5065 -9.50944 1.06597 -21.5371 1.06599 28.5415 GPRESSAVG: 1221200 -23.62 -11.9223 -20.0685 -14.7247 -9.77675 1.45035 -24.0124 2.46493 27.667 TIMING: 1221200 CPU: 3810.88, 0.00313131/step Wall: 3810.88, 0.00313131/step, 3.28684 hours remaining, 235.152344 MB of memory in use. ENERGY: 1221200 4030.8360 20588.0561 14449.2963 250.4256 -203970.0112 2995.9574 0.0000 0.0000 52225.8405 -109429.5994 300.1426 -161655.4399 -109064.0758 299.1238 115.9817 139.8915 761297.1411 -1.6166 -1.9099 PRESSURE: 1221400 -5.27616 -26.4274 -13.8442 -26.4267 -333.14 20.0906 -13.8437 20.0903 210.961 GPRESSURE: 1221400 38.8728 -154.225 21.5057 41.5941 -222.64 -52.6432 69.4459 -61.9168 136.233 PRESSAVG: 1221400 5.69089 -8.06995 -51.4314 -8.06996 9.23183 -0.59194 -51.4314 -0.591926 -30.7556 GPRESSAVG: 1221400 4.8537 -7.13194 -49.9902 -7.56097 9.66259 -1.94287 -52.0704 0.860919 -30.3131 TIMING: 1221400 CPU: 3811.51, 0.00313942/step Wall: 3811.51, 0.00313942/step, 3.29517 hours remaining, 235.152344 MB of memory in use. ENERGY: 1221400 4041.8840 20752.4290 14507.6193 264.8123 -203626.5578 2787.4728 0.0000 0.0000 51810.6220 -109461.7184 297.7564 -161272.3404 -109101.2984 298.9240 -42.4852 -15.8448 761551.8491 -5.2776 -5.2656 PRESSURE: 1221600 -0.482395 89.5297 59.6495 89.5305 -194.652 117.564 59.6491 117.564 -5.88426 GPRESSURE: 1221600 29.1302 32.5452 29.316 61.0269 -112.54 89.1517 80.4971 -93.2097 -43.1885 PRESSAVG: 1221600 12.6453 -30.6229 5.9345 -30.6229 39.5842 2.77565 5.93449 2.77557 12.5989 GPRESSAVG: 1221600 12.1378 -31.6945 2.01842 -29.4008 39.5853 1.80915 7.60846 -0.436977 13.5992 TIMING: 1221600 CPU: 3812.14, 0.00315363/step Wall: 3812.14, 0.00315363/step, 3.30991 hours remaining, 235.152344 MB of memory in use. ENERGY: 1221600 4025.4226 20487.8270 14416.5109 237.0584 -203545.7897 2858.3022 0.0000 0.0000 51972.9424 -109547.7262 298.6892 -161520.6686 -109177.6334 299.0541 -67.0063 -42.1993 761966.8813 21.6095 21.7741 PRESSURE: 1221800 49.7002 76.3229 90.2314 76.3226 168.84 84.0041 90.231 84.0044 154.797 GPRESSURE: 1221800 -8.14814 65.2724 95.9941 -96.851 323.717 135.132 93.3522 83.2828 145.923 PRESSAVG: 1221800 -18.2412 -17.139 17.707 -17.139 -6.69114 21.7304 17.7071 21.7304 -33.8773 GPRESSAVG: 1221800 -16.2951 -18.0422 21.279 -19.0935 -6.89655 23.7107 17.7852 24.4198 -35.89 TIMING: 1221800 CPU: 3812.77, 0.00313576/step Wall: 3812.77, 0.00313577/step, 3.29099 hours remaining, 235.152344 MB of memory in use. ENERGY: 1221800 4013.5946 20583.4961 14499.6329 249.6934 -203238.4143 2678.2454 0.0000 0.0000 51967.0023 -109246.7496 298.6551 -161213.7519 -108889.5795 298.8977 124.4457 153.8305 762260.6085 -19.6032 -19.6939 PRESSURE: 1222000 -93.2344 -22.2233 -81.5047 -22.2228 -26.7726 144.848 -81.5045 144.846 -86.7732 GPRESSURE: 1222000 -117.371 9.07466 -35.507 1.65396 34.0616 70.7867 -86.9054 182.719 -46.3911 PRESSAVG: 1222000 -17.0615 -43.7997 19.1773 -43.7997 25.178 -9.5533 19.1773 -9.55346 -7.09274 GPRESSAVG: 1222000 -17.316 -40.9537 18.7164 -43.9268 23.5146 -10.5292 19.1672 -10.6281 -5.46808 TIMING: 1222000 CPU: 3813.39, 0.00313157/step Wall: 3813.39, 0.00313157/step, 3.28641 hours remaining, 235.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1222000 4091.8974 20461.8968 14393.9100 257.0327 -203432.6260 2859.2319 0.0000 0.0000 52119.9098 -109248.7474 299.5338 -161368.6572 -108879.6388 299.5798 -68.9267 -43.2334 762767.1541 0.3413 0.2435 PRESSURE: 1222200 157.315 -33.5949 -64.3883 -33.5946 48.8232 126.448 -64.3885 126.447 100.264 GPRESSURE: 1222200 145.184 -48.5541 -118.924 -131.76 120.883 104.334 -50.3892 40.4441 130.828 PRESSAVG: 1222200 62.6382 -41.8269 -69.356 -41.8269 -11.7417 -36.7442 -69.356 -36.7442 6.86486 GPRESSAVG: 1222200 62.8147 -41.0707 -70.1839 -41.4026 -11.5524 -36.2017 -69.0204 -36.9635 7.10945 TIMING: 1222200 CPU: 3814.02, 0.00312591/step Wall: 3814.02, 0.00312591/step, 3.2803 hours remaining, 235.152344 MB of memory in use. ENERGY: 1222200 3937.1489 20697.5982 14368.1300 245.2445 -203741.8795 3152.5485 0.0000 0.0000 52034.2495 -109306.9600 299.0415 -161341.2094 -108939.4570 299.5101 102.1343 132.2983 762011.8682 19.2538 19.4572 PRESSURE: 1222400 80.0735 -172.064 30.0457 -172.063 412.405 -36.1851 30.0457 -36.1846 348.624 GPRESSURE: 1222400 246.232 -202.148 60.7382 -86.5941 337.981 -66.243 3.00227 -113.729 351.516 PRESSAVG: 1222400 -34.796 -39.3143 -46.9066 -39.3143 30.148 -88.5549 -46.9066 -88.5548 4.77532 GPRESSAVG: 1222400 -34.5758 -41.3024 -47.2335 -38.3939 31.1875 -88.231 -47.3426 -89.6958 3.75626 TIMING: 1222400 CPU: 3814.65, 0.00313253/step Wall: 3814.65, 0.00313253/step, 3.28706 hours remaining, 235.152344 MB of memory in use. ENERGY: 1222400 3987.2268 20415.7615 14418.5080 245.0871 -203953.6390 3030.6333 0.0000 0.0000 52538.8922 -109317.5301 301.9417 -161856.4222 -108955.8401 299.1530 280.3675 311.9097 761034.0788 0.0425 0.1227 PRESSURE: 1222600 -81.5771 173.49 -1.47634 173.491 -260.846 -230.461 -1.47477 -230.461 -62.4761 GPRESSURE: 1222600 -150.774 143.495 -84.9753 68.835 -130.299 -215.9 18.6009 -216.818 -52.4862 PRESSAVG: 1222600 -13.9582 -23.5522 -62.5632 -23.5522 -13.4868 -22.2073 -62.5632 -22.2072 7.07605 GPRESSAVG: 1222600 -14.5586 -23.1324 -62.7377 -24.2063 -12.839 -22.497 -62.8165 -20.5822 7.55635 TIMING: 1222600 CPU: 3815.27, 0.00311812/step Wall: 3815.27, 0.00311812/step, 3.27177 hours remaining, 235.152344 MB of memory in use. ENERGY: 1222600 4039.5100 20541.5603 14455.0880 243.4540 -203185.2771 2592.8935 0.0000 0.0000 52117.9452 -109194.8262 299.5225 -161312.7714 -108836.9984 299.4037 -134.9663 -111.1862 763611.3078 -6.7897 -6.6138 PRESSURE: 1222800 -199.988 -9.50809 144.559 -9.50785 -308.221 124.598 144.559 124.6 68.2716 GPRESSURE: 1222800 -132.099 8.79248 140.939 -2.36479 -298.702 106.796 80.536 96.1107 69.4862 PRESSAVG: 1222800 -39.2314 35.3089 -25.6002 35.3089 17.5423 31.8052 -25.6002 31.8052 -13.536 GPRESSAVG: 1222800 -38.7587 31.9898 -24.8211 37.3106 16.3925 33.4048 -24.3941 31.4226 -12.8195 TIMING: 1222800 CPU: 3815.89, 0.00312387/step Wall: 3815.89, 0.00312387/step, 3.27763 hours remaining, 235.152344 MB of memory in use. ENERGY: 1222800 3984.0757 20612.3579 14447.8396 250.6238 -203609.7338 2711.3290 0.0000 0.0000 52097.1304 -109506.3773 299.4029 -161603.5077 -109134.5781 299.3465 -146.6459 -120.4380 762516.0112 -11.7417 -11.7286 PRESSURE: 1223000 -27.1882 38.8162 -68.0058 38.8171 354.595 -53.6077 -68.0066 -53.6073 292.985 GPRESSURE: 1223000 42.634 4.43128 -44.6066 121.109 353.675 -55.7969 -125.813 85.4748 299.42 PRESSAVG: 1223000 -34.7411 -2.53438 -30.592 -2.53437 55.8388 -18.1366 -30.5921 -18.1366 4.32166 GPRESSAVG: 1223000 -33.6035 -1.53594 -29.8914 -2.91043 55.1321 -20.8891 -33.1196 -15.7336 3.92166 TIMING: 1223000 CPU: 3816.52, 0.0031329/step Wall: 3816.52, 0.0031329/step, 3.28693 hours remaining, 235.152344 MB of memory in use. ENERGY: 1223000 4005.5938 20710.3373 14399.7428 240.0034 -203983.8040 3201.7446 0.0000 0.0000 51886.1725 -109540.2095 298.1905 -161426.3820 -109192.7512 298.7256 206.7972 231.9098 759817.7876 8.4731 8.4834 PRESSURE: 1223200 -46.5191 -208.116 23.3136 -208.116 161.203 89.9671 23.3131 89.9675 -359.401 GPRESSURE: 1223200 -55.9996 -213.314 50.5769 -176.628 161.325 3.20229 2.87929 49.7705 -291.54 PRESSAVG: 1223200 -40.4704 18.7481 -10.8637 18.7481 40.7605 -9.85856 -10.8636 -9.8586 3.70099 GPRESSAVG: 1223200 -41.9407 18.837 -10.8573 17.5133 42.0027 -10.2381 -8.59485 -11.1549 4.15983 TIMING: 1223200 CPU: 3817.14, 0.00310988/step Wall: 3817.14, 0.00310988/step, 3.26261 hours remaining, 235.152344 MB of memory in use. ENERGY: 1223200 3984.9412 20633.1235 14343.2334 227.0124 -203249.5365 2588.6655 0.0000 0.0000 51916.4548 -109556.1056 298.3646 -161472.5605 -109194.7988 298.7600 -81.5726 -62.0715 761885.4119 1.3304 1.4073 PRESSURE: 1223400 -115.476 78.4941 274.841 78.4945 74.6583 -21.8406 274.842 -21.8408 -137.054 GPRESSURE: 1223400 -35.6488 58.1142 289.24 27.641 125.42 -43.3996 101.727 43.8642 -195.317 PRESSAVG: 1223400 -69.8104 -14.8999 -5.5037 -14.8998 76.6311 31.212 -5.50362 31.2121 -9.92216 GPRESSAVG: 1223400 -68.474 -14.2191 -5.20391 -15.3267 76.6075 32.8787 -6.6359 30.7822 -10.8785 TIMING: 1223400 CPU: 3817.76, 0.00310738/step Wall: 3817.76, 0.00310738/step, 3.25981 hours remaining, 235.152344 MB of memory in use. ENERGY: 1223400 4025.8851 20621.4425 14413.0477 235.7285 -203562.6671 2801.6237 0.0000 0.0000 51781.5368 -109683.4028 297.5892 -161464.9396 -109319.6772 298.5049 -59.2906 -35.1821 762482.3466 -1.0339 -0.9150 PRESSURE: 1223600 -35.9459 79.4925 188.532 79.4922 67.3906 -133.976 188.533 -133.976 196.865 GPRESSURE: 1223600 -25.6399 82.3386 94.6736 53.9918 91.0548 -106.762 299.97 -90.6358 254.875 PRESSAVG: 1223600 -6.14933 25.1855 -28.1214 25.1855 -22.9943 34.576 -28.1214 34.576 -0.629095 GPRESSAVG: 1223600 -7.4733 26.4131 -29.0636 24.7501 -21.7636 35.1959 -27.6888 34.9671 -0.335698 TIMING: 1223600 CPU: 3818.39, 0.00312352/step Wall: 3818.39, 0.00312352/step, 3.27657 hours remaining, 235.152344 MB of memory in use. ENERGY: 1223600 3897.1325 20486.1536 14347.7417 241.7315 -203548.5411 2640.8540 0.0000 0.0000 52206.8488 -109728.0791 300.0335 -161934.9279 -109351.7160 298.2690 76.1033 106.7634 759419.7857 -9.9243 -9.8575 PRESSURE: 1223800 41.4391 29.6276 -45.7021 29.6275 88.7021 -11.4078 -45.7014 -11.4066 -310.922 GPRESSURE: 1223800 123.299 -41.1316 125.774 12.6985 13.1916 -6.15593 -120.324 75.3736 -242.925 PRESSAVG: 1223800 21.1153 35.5773 -9.16653 35.5773 -23.3439 26.8431 -9.16663 26.8432 26.0074 GPRESSAVG: 1223800 20.4207 34.9599 -7.99593 34.5829 -25.6219 27.6741 -12.4557 26.1243 28.5688 TIMING: 1223800 CPU: 3819.01, 0.00312665/step Wall: 3819.01, 0.00312665/step, 3.27968 hours remaining, 235.152344 MB of memory in use. ENERGY: 1223800 3919.5053 20612.9005 14286.3585 243.8331 -203292.8327 2529.9171 0.0000 0.0000 51954.4641 -109745.8541 298.5830 -161700.3181 -109382.3128 298.5161 -60.2602 -35.4781 761602.8767 7.9263 7.7892 PRESSURE: 1224000 -130.035 -75.4083 -145.295 -75.4079 -262.201 -119.932 -145.294 -119.933 -203.87 GPRESSURE: 1224000 -30.8246 63.8873 -171.805 -9.89872 -227.457 -146.095 -229.111 -74.9121 -245.171 PRESSAVG: 1224000 47.3356 34.2131 -60.1066 34.2132 -45.7173 63.639 -60.1066 63.639 -12.0593 GPRESSAVG: 1224000 49.3912 33.4501 -60.2901 36.0768 -44.565 62.1908 -57.6771 63.7831 -14.1405 TIMING: 1224000 CPU: 3819.64, 0.00312174/step Wall: 3819.64, 0.00312174/step, 3.27436 hours remaining, 235.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1224000 3973.1618 20700.7137 14418.8966 233.4471 -203802.2800 2890.0809 0.0000 0.0000 51861.8116 -109724.1683 298.0505 -161585.9799 -109362.1828 298.3625 -198.7019 -167.8174 761782.5486 -3.4803 -3.1048 PRESSURE: 1224200 301.62 -7.51618 63.3915 -7.51575 222.242 116.038 63.3921 116.037 53.7232 GPRESSURE: 1224200 217.812 -118.272 129.301 70.6524 267.098 35.3618 52.1945 180.995 168.86 PRESSAVG: 1224200 75.025 5.79182 24.7887 5.79175 -59.3398 12.8495 24.7887 12.8495 -3.31308 GPRESSAVG: 1224200 75.2738 5.21406 24.5121 6.61095 -60.3679 13.7143 26.0645 14.3297 -2.97562 TIMING: 1224200 CPU: 3820.26, 0.00312243/step Wall: 3820.26, 0.00312243/step, 3.27491 hours remaining, 235.152344 MB of memory in use. ENERGY: 1224200 3938.7592 20551.7233 14420.1313 236.3981 -203444.8356 2607.2819 0.0000 0.0000 52083.9897 -109606.5521 299.3274 -161690.5417 -109232.5342 298.7977 192.5284 217.9232 761898.0841 4.1241 3.9768 LDB: ============= START OF LOAD BALANCING ============== 3832.74 LDB: ============== END OF LOAD BALANCING =============== 3832.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3832.74 LDB: ============= START OF LOAD BALANCING ============== 3833.06 LDB: Largest compute 6988 load 0.029341 is 15.0% of average load 0.195039 LDB: Average compute 0.004380 is 2.2% of average load 0.195039 LDB: TIME 3833.06 LOAD: AVG 0.195039 MAX 0.212628 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.441 MB LDB: TIME 3833.06 LOAD: AVG 0.195039 MAX 0.212628 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.441 MB LDB: TIME 3833.06 LOAD: AVG 0.195039 MAX 0.212628 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.441 MB LDB: ============== END OF LOAD BALANCING =============== 3833.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3833.07 PRESSURE: 1224400 -409.521 -166.201 -79.8861 -166.201 63.5754 73.9183 -79.8863 73.9186 60.2736 GPRESSURE: 1224400 -298.813 -198.378 -116.724 -150.847 55.1395 83.0157 -53.3577 136.225 38.1869 PRESSAVG: 1224400 1.19789 -48.1472 2.72487 -48.1471 36.5452 -2.76079 2.72489 -2.76078 6.02307 GPRESSAVG: 1224400 1.2647 -47.6223 0.222902 -51.1809 36.8503 -2.15332 2.47634 -5.34377 5.75975 TIMING: 1224400 CPU: 3820.9, 0.00319429/step Wall: 3820.9, 0.00319429/step, 3.3501 hours remaining, 234.253906 MB of memory in use. ENERGY: 1224400 3935.2230 20690.5383 14451.5438 260.6914 -203642.3423 2693.5992 0.0000 0.0000 51807.0484 -109803.6982 297.7358 -161610.7467 -109445.9650 298.3819 -95.2241 -68.4955 762101.1443 14.5887 14.6249 PRESSURE: 1224600 -24.1901 -236.047 -76.9749 -236.047 35.3323 69.3225 -76.9755 69.3219 -68.3529 GPRESSURE: 1224600 -76.1421 -84.5207 -100.379 -200.044 115.568 25.4874 -77.1071 91.1524 -29.574 PRESSAVG: 1224600 11.4552 -41.068 -14.6889 -41.0679 -36.8912 -3.06799 -14.6889 -3.06797 10.658 GPRESSAVG: 1224600 9.24922 -42.1974 -12.6054 -38.2933 -35.6622 -4.20002 -16.8841 -0.534117 10.997 TIMING: 1224600 CPU: 3821.53, 0.00313025/step Wall: 3821.53, 0.00313025/step, 3.28277 hours remaining, 234.253906 MB of memory in use. ENERGY: 1224600 3932.7083 20608.8402 14475.1017 276.3114 -203243.2240 2602.1446 0.0000 0.0000 51832.9440 -109515.1739 297.8846 -161348.1179 -109159.7039 298.7621 -19.0702 3.2840 761357.6015 -4.9260 -5.1387 PRESSURE: 1224800 135.535 137.164 365.336 137.164 1.06476 39.131 365.336 39.1312 -55.8389 GPRESSURE: 1224800 149.663 180.327 282.078 146.565 -2.77128 -20.8964 308.79 -50.7671 4.65248 PRESSAVG: 1224800 -5.66711 -48.8296 37.2093 -48.8296 9.31783 -16.4138 37.2092 -16.4138 -4.71253 GPRESSAVG: 1224800 -3.82261 -48.4705 37.1171 -48.2688 7.56474 -16.1516 38.728 -18.8413 -4.66967 TIMING: 1224800 CPU: 3822.16, 0.00314269/step Wall: 3822.16, 0.00314269/step, 3.29563 hours remaining, 234.253906 MB of memory in use. ENERGY: 1224800 4029.0949 20549.3677 14404.2166 239.0825 -204109.6095 3187.3103 0.0000 0.0000 52270.1857 -109430.3517 300.3975 -161700.5375 -109072.4782 299.1750 26.9203 50.5148 761267.7704 -0.3539 -0.3092 PRESSURE: 1225000 140.629 80.1148 -107.079 80.1133 296.167 -51.0539 -107.08 -51.0544 356.232 GPRESSURE: 1225000 180.098 156.212 -95.4558 71.1029 416.354 -33.9303 -68.3882 -75.8864 286.171 PRESSAVG: 1225000 -33.4342 9.90862 -15.7305 9.90861 36.8762 -23.1163 -15.7305 -23.1163 4.24127 GPRESSAVG: 1225000 -33.4809 10.4374 -15.4317 9.85732 37.255 -23.1133 -15.543 -22.7324 3.83981 TIMING: 1225000 CPU: 3822.78, 0.0031395/step Wall: 3822.78, 0.0031395/step, 3.29211 hours remaining, 234.253906 MB of memory in use. ENERGY: 1225000 3954.0757 20575.6554 14479.6695 249.4746 -203879.7620 3216.2044 0.0000 0.0000 51963.9077 -109440.7745 298.6373 -161404.6822 -109076.1972 298.8148 264.3428 294.2075 762136.7371 2.5611 2.5380 PRESSURE: 1225200 -132.154 -49.8327 154.009 -49.8327 -256.835 -170.385 154.008 -170.385 -133.349 GPRESSURE: 1225200 -140.974 -7.21017 113.309 63.6661 -225.286 -123.675 234.259 -167.557 -61.798 PRESSAVG: 1225200 52.0695 -25.5171 14.2402 -25.517 -41.8814 -9.37235 14.2403 -9.37233 -12.7117 GPRESSAVG: 1225200 51.9138 -26.4412 15.2806 -26.5823 -41.6116 -9.93017 12.3233 -8.75605 -12.4077 TIMING: 1225200 CPU: 3823.41, 0.00312677/step Wall: 3823.41, 0.00312677/step, 3.27859 hours remaining, 234.253906 MB of memory in use. ENERGY: 1225200 4004.0987 20410.7067 14463.2878 256.6374 -203414.1474 2657.6414 0.0000 0.0000 52008.9182 -109612.8573 298.8960 -161621.7754 -109244.2904 298.7896 -174.1125 -142.6858 762987.3184 -0.8412 -0.7018 PRESSURE: 1225400 510.846 265.033 -174.126 265.033 155.496 115.381 -174.126 115.381 24.2246 GPRESSURE: 1225400 467.653 112.22 -200.715 180.918 258.339 128.132 -25.8645 199.938 51.32 PRESSAVG: 1225400 -16.4409 5.87154 -49.7295 5.87145 55.3038 -6.90316 -49.7295 -6.90304 12.4906 GPRESSAVG: 1225400 -15.6213 7.94222 -51.3189 4.00105 55.3345 -6.72646 -46.5134 -6.57223 12.1551 TIMING: 1225400 CPU: 3824.03, 0.00310677/step Wall: 3824.03, 0.00310677/step, 3.25745 hours remaining, 234.253906 MB of memory in use. ENERGY: 1225400 3968.1222 20614.7050 14469.3869 239.2187 -203558.5765 3031.5140 0.0000 0.0000 51610.1421 -109625.4876 296.6042 -161235.6297 -109270.9721 298.1877 230.1889 259.1040 761285.7688 17.1179 17.2894 PRESSURE: 1225600 130.808 113.612 -27.252 113.612 -142.128 153.907 -27.2514 153.908 76.411 GPRESSURE: 1225600 229.361 39.8754 -55.5062 120.78 -153.05 117.886 29.0407 133.585 56.1533 PRESSAVG: 1225600 42.9256 -4.17514 -32.6507 -4.17509 -31.5065 -6.74169 -32.6508 -6.74173 10.2624 GPRESSAVG: 1225600 42.4495 -8.46186 -32.4874 -1.99308 -31.0598 -6.42955 -33.2576 -7.4433 10.4822 TIMING: 1225600 CPU: 3824.65, 0.00311378/step Wall: 3824.65, 0.00311378/step, 3.26463 hours remaining, 234.253906 MB of memory in use. ENERGY: 1225600 3983.9733 20404.7412 14331.5351 242.5532 -203710.3739 3017.4940 0.0000 0.0000 52149.4318 -109580.6453 299.7035 -161730.0772 -109209.8035 298.0779 21.6970 44.1545 762965.8785 7.2272 7.2906 PRESSURE: 1225800 -157.187 -170.348 -10.9093 -170.348 258.039 26.3393 -10.9098 26.339 -98.6413 GPRESSURE: 1225800 -61.0937 -154.34 -8.20324 -130.562 266.62 12.1499 44.1925 37.858 -137.284 PRESSAVG: 1225800 -11.4051 -19.0976 -47.7186 -19.0976 10.5735 4.93634 -47.7187 4.9363 -5.01621 GPRESSAVG: 1225800 -10.6448 -16.7386 -46.3282 -18.1133 10.0201 4.25054 -48.7556 5.57943 -5.1828 TIMING: 1225800 CPU: 3825.28, 0.00311719/step Wall: 3825.28, 0.00311719/step, 3.26802 hours remaining, 234.253906 MB of memory in use. ENERGY: 1225800 3960.6628 20451.7701 14455.9953 246.2308 -203651.7193 3108.1306 0.0000 0.0000 51929.2083 -109499.7214 298.4379 -161428.9297 -109127.3893 298.6531 0.7366 22.7473 763156.8046 -1.9493 -1.9358 PRESSURE: 1226000 -211.844 -285.315 -115.301 -285.314 -166.494 157.485 -115.3 157.486 79.4214 GPRESSURE: 1226000 -144.934 -271.032 -77.296 -235.288 -115.26 120.348 -130.899 176.737 20.1456 PRESSAVG: 1226000 -4.07946 3.80717 -79.006 3.80721 -5.42643 5.34943 -79.006 5.34947 9.05614 GPRESSAVG: 1226000 -5.61704 5.43177 -77.8498 0.809291 -4.81122 6.00461 -79.195 4.06151 9.69476 TIMING: 1226000 CPU: 3825.9, 0.00311811/step Wall: 3825.9, 0.00311811/step, 3.26882 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1226000 3929.5267 20563.4772 14493.5639 244.2926 -203507.3037 2809.3087 0.0000 0.0000 51851.4051 -109615.7295 297.9907 -161467.1347 -109241.9851 298.3959 -99.6390 -80.0161 762749.5137 -0.1499 -0.2445 PRESSURE: 1226200 475.376 109.722 -127.149 109.723 -112.216 -83.4663 -127.15 -83.465 354.346 GPRESSURE: 1226200 374.69 -31.3823 -133.606 47.5345 76.6632 11.4475 -133.164 5.21381 353.256 PRESSAVG: 1226200 0.32369 27.8133 -7.95527 27.8133 4.75983 -3.43509 -7.95525 -3.4351 11.6854 GPRESSAVG: 1226200 1.9223 25.6362 -10.5112 30.3282 3.64752 -3.23598 -7.52223 -3.03815 11.176 TIMING: 1226200 CPU: 3826.52, 0.00311065/step Wall: 3826.52, 0.00311065/step, 3.26083 hours remaining, 234.253906 MB of memory in use. ENERGY: 1226200 4004.3802 20402.2348 14464.5755 244.4363 -203331.5830 2874.7012 0.0000 0.0000 51896.6623 -109444.5926 298.2508 -161341.2550 -109076.2863 298.5836 239.1686 268.2029 763476.8415 5.5896 5.5819 PRESSURE: 1226400 -138.425 52.835 -192.922 52.8348 -115.193 -45.9482 -192.921 -45.9481 85.6244 GPRESSURE: 1226400 -125.026 52.5864 -234.014 48.9674 -52.9619 -36.9098 -246.122 -112 104.118 PRESSAVG: 1226400 -8.83753 -7.74717 -42.0838 -7.74716 0.761113 -56.7292 -42.0838 -56.7291 -13.8293 GPRESSAVG: 1226400 -9.07389 -6.76522 -41.6268 -8.35596 0.178201 -58.9407 -40.7414 -56.4849 -12.7251 TIMING: 1226400 CPU: 3827.15, 0.00313066/step Wall: 3827.15, 0.00313067/step, 3.28163 hours remaining, 234.253906 MB of memory in use. ENERGY: 1226400 4008.7113 20271.2501 14452.5341 239.6347 -203279.3925 2959.6551 0.0000 0.0000 51901.2912 -109446.3160 298.2774 -161347.6072 -109075.2781 298.5308 -55.9978 -24.6232 764226.7353 -7.3019 -7.2069 PRESSURE: 1226600 -59.8478 -150.844 168.009 -150.844 221.636 113.294 168.01 113.295 12.1106 GPRESSURE: 1226600 -36.387 -107.037 217.685 -136.168 264.836 71.2992 115.239 170.575 42.1679 PRESSAVG: 1226600 22.3519 12.7624 -21.9258 12.7624 14.7555 -61.1317 -21.9258 -61.1316 13.2328 GPRESSAVG: 1226600 21.6286 13.8714 -21.8831 14.6319 16.585 -60.4124 -22.9212 -62.4665 11.9 TIMING: 1226600 CPU: 3827.78, 0.0031384/step Wall: 3827.78, 0.0031384/step, 3.28957 hours remaining, 234.253906 MB of memory in use. ENERGY: 1226600 3943.5642 20326.7111 14461.3906 257.2308 -203093.5284 2670.6845 0.0000 0.0000 52043.7073 -109390.2400 299.0959 -161433.9473 -109014.0448 298.4832 57.9664 90.2055 764628.5374 16.7801 16.7045 PRESSURE: 1226800 -300.874 -101.445 -105.819 -101.445 83.2764 69.4236 -105.818 69.4223 -28.4487 GPRESSURE: 1226800 -266.953 -191.802 -110.491 -91.9153 56.379 79.7295 -86.8018 -41.7772 48.6412 PRESSAVG: 1226800 -61.4491 -7.45753 4.73157 -7.45756 1.25541 -17.3003 4.73155 -17.3003 -12.2389 GPRESSAVG: 1226800 -60.6831 -10.6676 3.94867 -6.98281 0.814838 -16.1041 6.41769 -18.2352 -12.3591 TIMING: 1226800 CPU: 3828.4, 0.00311119/step Wall: 3828.4, 0.00311119/step, 3.26087 hours remaining, 234.253906 MB of memory in use. ENERGY: 1226800 3951.3408 20327.9301 14475.8399 255.3033 -203170.4659 2630.2135 0.0000 0.0000 52047.0297 -109482.8087 299.1150 -161529.8384 -109115.7736 298.5600 -82.0156 -53.9776 764834.4113 -24.1442 -24.0758 PRESSURE: 1227000 -349.628 -116.482 -91.0501 -116.481 119.827 181.792 -91.0494 181.791 -124.584 GPRESSURE: 1227000 -320.49 -78.1625 -21.3362 -230.713 136.844 212.465 -14.6233 131.134 -90.7963 PRESSAVG: 1227000 8.80539 18.2541 15.141 18.2541 18.8032 -49.6713 15.1411 -49.6713 -19.5014 GPRESSAVG: 1227000 7.52464 19.6852 16.83 16.7833 19.5888 -50.1701 14.8654 -47.6305 -19.0684 TIMING: 1227000 CPU: 3829.02, 0.00312101/step Wall: 3829.02, 0.00312101/step, 3.27099 hours remaining, 234.253906 MB of memory in use. ENERGY: 1227000 3985.6704 20543.4793 14522.7345 240.9502 -202843.5691 2546.8565 0.0000 0.0000 51726.1463 -109277.7320 297.2709 -161003.8783 -108923.0652 298.8312 -118.1280 -91.4806 764873.4552 2.7024 2.6817 PRESSURE: 1227200 -132.182 -118.523 -158.016 -118.522 0.986537 -179.504 -158.016 -179.504 -8.98979 GPRESSURE: 1227200 -78.6642 -181.959 -100.139 -82.3369 -6.10826 -151.805 -201.947 -263.855 23.7611 PRESSAVG: 1227200 -53.5483 -20.7461 -9.9628 -20.7462 8.88369 -26.1644 -9.96285 -26.1643 2.69516 GPRESSAVG: 1227200 -51.717 -20.3237 -10.4408 -21.2519 7.78344 -26.3012 -9.47632 -27.8957 2.44683 TIMING: 1227200 CPU: 3829.65, 0.00313234/step Wall: 3829.65, 0.00313234/step, 3.28269 hours remaining, 234.253906 MB of memory in use. ENERGY: 1227200 4004.5870 20404.0991 14533.8190 248.4187 -203132.1536 2448.8797 0.0000 0.0000 52099.0725 -109393.2775 299.4141 -161492.3500 -109032.4845 298.4967 -46.7284 -20.3371 764011.3525 -13.9898 -13.8289 PRESSURE: 1227400 70.114 17.8387 -58.9649 17.8385 147.125 -183.069 -58.9644 -183.07 -137.524 GPRESSURE: 1227400 165.347 0.261782 -77.7031 88.8172 193.735 -158.196 -157.938 -181.284 -206.546 PRESSAVG: 1227400 16.8487 44.4182 -46.0709 44.4183 -17.2121 45.4483 -46.0709 45.4483 48.8087 GPRESSAVG: 1227400 15.1348 46.5297 -45.5987 45.0197 -16.2047 44.7689 -46.8617 47.8765 49.229 TIMING: 1227400 CPU: 3830.28, 0.0031466/step Wall: 3830.28, 0.0031466/step, 3.29747 hours remaining, 234.253906 MB of memory in use. ENERGY: 1227400 4003.6108 20583.8744 14409.4288 243.4561 -203550.8634 3054.9472 0.0000 0.0000 51785.6045 -109469.9415 297.6126 -161255.5460 -109113.1317 298.3565 26.5716 50.8453 765057.4638 16.1484 16.0530 PRESSURE: 1227600 1.65715 -45.0042 9.25909 -45.0042 35.8343 194.357 9.25859 194.356 64.1765 GPRESSURE: 1227600 68.0819 -34.9509 41.8549 -145.542 21.1666 184.366 -40.1037 137.7 92.2354 PRESSAVG: 1227600 -25.3962 4.75444 -42.8025 4.75442 -37.0726 -12.9332 -42.8025 -12.9332 -3.07826 GPRESSAVG: 1227600 -24.7222 2.15415 -42.5052 2.4089 -38.1722 -13.7743 -45.1997 -14.3005 -2.66574 TIMING: 1227600 CPU: 3830.91, 0.00313297/step Wall: 3830.91, 0.00313297/step, 3.28301 hours remaining, 234.253906 MB of memory in use. ENERGY: 1227600 3968.2241 20630.2343 14392.3992 244.6286 -202694.8131 2673.1112 0.0000 0.0000 51698.8982 -109087.3175 297.1143 -160786.2158 -108724.9701 299.0600 33.8893 60.4946 763475.2539 -21.8490 -21.8534 PRESSURE: 1227800 -65.3127 -58.8846 80.6492 -58.8845 428.45 -126.414 80.6492 -126.413 -203.379 GPRESSURE: 1227800 50.1428 63.1509 19.6544 23.9484 376.34 -165.559 155.661 -114.181 -169.017 PRESSAVG: 1227800 40.6066 47.2639 -26.7386 47.2639 -34.968 -17.9123 -26.7387 -17.9124 2.90952 GPRESSAVG: 1227800 40.0934 47.2123 -27.1928 49.7606 -35.0693 -16.7816 -25.4438 -18.1293 2.93509 TIMING: 1227800 CPU: 3831.53, 0.00314152/step Wall: 3831.53, 0.00314152/step, 3.29179 hours remaining, 234.253906 MB of memory in use. ENERGY: 1227800 3981.1958 20546.8771 14412.8365 244.3650 -203042.3630 2528.8245 0.0000 0.0000 52380.7062 -108947.5578 301.0326 -161328.2640 -108575.8674 299.6926 53.2528 85.8218 762293.2483 2.8494 2.6531 PRESSURE: 1228000 2.14203 -78.1478 126.367 -78.1477 98.1364 149.029 126.366 149.029 -180.961 GPRESSURE: 1228000 37.4631 -137.68 209.791 -58.019 147.737 220.798 -54.5364 63.2248 -187.344 PRESSAVG: 1228000 -26.5283 -40.0119 -24.8132 -40.012 56.3159 -47.5525 -24.8132 -47.5525 27.2316 GPRESSAVG: 1228000 -26.272 -38.7383 -23.0604 -41.9389 56.5635 -47.1173 -24.7739 -49.206 26.8319 TIMING: 1228000 CPU: 3832.16, 0.00313448/step Wall: 3832.16, 0.00313448/step, 3.28424 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1228000 3941.0713 20634.7459 14455.5775 253.7792 -203392.3117 2923.1267 0.0000 0.0000 52058.2470 -109125.7642 299.1795 -161184.0111 -108772.2142 299.7334 -26.8942 -0.7147 761701.2864 19.0064 19.0411 PRESSURE: 1228200 -295.385 -99.2937 -161.002 -99.2941 283.41 86.4611 -161.002 86.4607 -188.539 GPRESSURE: 1228200 -228.821 50.9615 -223.057 -93.2942 329.732 108.459 41.5786 185.54 -228.556 PRESSAVG: 1228200 -25.5512 -21.6117 -66.8271 -21.6117 29.918 -2.8122 -66.8272 -2.81226 30.3251 GPRESSAVG: 1228200 -24.1657 -22.459 -68.3539 -22.2778 28.1007 -3.2962 -65.9307 -0.742826 30.2814 TIMING: 1228200 CPU: 3832.79, 0.00313541/step Wall: 3832.79, 0.00313541/step, 3.28504 hours remaining, 234.253906 MB of memory in use. ENERGY: 1228200 4082.6453 20525.6666 14467.1753 226.9497 -203499.1858 3034.7569 0.0000 0.0000 51964.5737 -109197.4184 298.6411 -161161.9921 -108838.3748 299.0722 -66.8382 -42.5482 762215.2270 11.5640 11.4055 LDB: ============= START OF LOAD BALANCING ============== 3845.27 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3845.27 LDB: =============== DONE WITH MIGRATION ================ 3845.27 LDB: ============= START OF LOAD BALANCING ============== 3845.58 LDB: Largest compute 7071 load 0.028787 is 14.8% of average load 0.195151 LDB: Average compute 0.004378 is 2.2% of average load 0.195151 LDB: TIME 3845.59 LOAD: AVG 0.195151 MAX 0.214133 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.188 MB LDB: TIME 3845.59 LOAD: AVG 0.195151 MAX 0.214133 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.188 MB LDB: TIME 3845.59 LOAD: AVG 0.195151 MAX 0.214133 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.188 MB LDB: ============== END OF LOAD BALANCING =============== 3845.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3845.59 PRESSURE: 1228400 5.20067 109.298 -8.60274 109.298 294.82 121.349 -8.60265 121.349 -129.782 GPRESSURE: 1228400 90.3234 171.396 2.02738 17.5895 225.841 74.6684 40.7578 29.9601 -79.7373 PRESSAVG: 1228400 -80.1683 -13.7701 45.6012 -13.7701 53.4882 -26.6372 45.6012 -26.6372 -9.00437 GPRESSAVG: 1228400 -81.6555 -13.4134 46.2083 -12.3344 55.775 -26.642 44.1228 -26.0709 -9.4161 TIMING: 1228400 CPU: 3833.43, 0.00319358/step Wall: 3833.43, 0.00319358/step, 3.34581 hours remaining, 234.957031 MB of memory in use. ENERGY: 1228400 4025.4010 20536.6701 14452.6595 255.6779 -203549.8259 2978.1652 0.0000 0.0000 52016.6432 -109284.6089 298.9404 -161301.2521 -108920.5902 299.3228 56.7461 78.8092 763644.5895 -11.8948 -11.7655 PRESSURE: 1228600 69.6732 10.9651 -110.451 10.9647 -283.758 -27.4991 -110.45 -27.4987 -276.805 GPRESSURE: 1228600 29.5115 157.673 -261.465 -70.5032 -209.238 53.3305 -82.9751 -25.3176 -230.313 PRESSAVG: 1228600 -30.4945 -51.7354 23.444 -51.7354 34.4583 -74.9384 23.4441 -74.9383 1.52246 GPRESSAVG: 1228600 -31.5358 -52.6125 22.1731 -50.8725 33.5079 -74.4477 26.2871 -76.9149 2.829 TIMING: 1228600 CPU: 3834.05, 0.00311161/step Wall: 3834.05, 0.00311161/step, 3.25975 hours remaining, 235.023438 MB of memory in use. ENERGY: 1228600 3957.5938 20527.0434 14406.2786 244.9105 -203441.1166 2980.8978 0.0000 0.0000 51881.6297 -109442.7629 298.1644 -161324.3926 -109085.1340 299.2623 -163.6302 -136.6799 764220.9228 1.8288 1.6004 PRESSURE: 1228800 -168.72 -107.333 -67.2122 -107.333 -81.9752 -72.4951 -67.2118 -72.4952 72.9805 GPRESSURE: 1228800 -101.976 -48.797 -4.48764 -30.1601 -23.8529 -214.257 -16.7316 -39.4361 25.7082 PRESSAVG: 1228800 -5.91832 -45.3951 -54.1346 -45.3951 38.5096 -46.2496 -54.1346 -46.2496 -1.83912 GPRESSAVG: 1228800 -5.39052 -45.329 -53.6268 -45.8942 38.3396 -46.6286 -55.8247 -45.3487 -2.27339 TIMING: 1228800 CPU: 3834.67, 0.00311718/step Wall: 3834.67, 0.00311718/step, 3.26542 hours remaining, 235.023438 MB of memory in use. ENERGY: 1228800 4037.7136 20502.0266 14351.3166 231.4585 -203395.7375 2925.7455 0.0000 0.0000 52044.7490 -109302.7275 299.1019 -161347.4765 -108950.1942 299.0231 -59.2381 -33.3736 763920.2563 10.2507 10.2252 PRESSURE: 1229000 238.575 39.3745 -207.855 39.3746 63.661 103.538 -207.854 103.538 305.448 GPRESSURE: 1229000 242.406 125.267 -171.425 21.0681 101.009 117.872 -167.357 -11.653 350.306 PRESSAVG: 1229000 -43.7305 20.478 -56.1068 20.4779 26.8018 -16.1337 -56.1069 -16.1336 1.17233 GPRESSAVG: 1229000 -43.0932 21.3245 -54.8436 21.0561 27.0997 -15.2679 -56.4425 -18.8998 -0.186389 TIMING: 1229000 CPU: 3835.3, 0.00312275/step Wall: 3835.3, 0.00312275/step, 3.27108 hours remaining, 235.023438 MB of memory in use. ENERGY: 1229000 3952.4057 20594.0301 14433.2925 240.6692 -203369.7981 2844.5308 0.0000 0.0000 52110.5456 -109194.3242 299.4800 -161304.8698 -108838.3666 299.1238 202.5615 231.2403 764549.1359 -5.2521 -5.3933 PRESSURE: 1229200 -108.118 95.7595 19.5077 95.7594 -63.9964 -165.059 19.5084 -165.059 16.4326 GPRESSURE: 1229200 -11.7744 166.94 39.1315 117.13 -36.1529 -161.579 12.2852 -203.558 -19.2549 PRESSAVG: 1229200 66.9843 19.7399 -26.013 19.7399 -1.64378 -35.584 -26.013 -35.584 18.3816 GPRESSAVG: 1229200 65.2009 20.2028 -27.5273 18.1765 -0.940211 -36.1504 -24.6469 -35.1596 19.192 TIMING: 1229200 CPU: 3835.92, 0.0031116/step Wall: 3835.92, 0.0031116/step, 3.25922 hours remaining, 235.023438 MB of memory in use. ENERGY: 1229200 3967.0482 20279.7249 14443.7495 243.7728 -203424.2034 2959.4228 0.0000 0.0000 52283.9413 -109246.5439 300.4765 -161530.4853 -108872.1666 299.6396 -51.8940 -22.3940 762739.2981 27.9074 27.8176 PRESSURE: 1229400 37.2912 33.5229 -6.65985 33.5224 -358.651 133.473 -6.65944 133.473 8.79734 GPRESSURE: 1229400 104.567 131.123 8.51586 95.3822 -382.856 106 54.3368 104.669 56.4078 PRESSAVG: 1229400 21.8801 -3.57738 -48.4645 -3.57741 0.166437 27.1586 -48.4646 27.1585 -3.04019 GPRESSAVG: 1229400 22.9722 -5.25841 -48.0524 -0.707648 -1.35489 28.155 -48.8312 27.7033 -2.93999 TIMING: 1229400 CPU: 3836.54, 0.00312652/step Wall: 3836.54, 0.00312652/step, 3.27468 hours remaining, 235.023438 MB of memory in use. ENERGY: 1229400 3987.6819 20523.9625 14463.0427 254.8252 -203161.6445 2659.1464 0.0000 0.0000 52082.6181 -109190.3677 299.3195 -161272.9858 -108828.0742 299.5364 -104.1874 -73.9604 763281.8054 6.3354 6.2258 PRESSURE: 1229600 224.252 -109.955 150.671 -109.955 -96.2466 87.3372 150.671 87.3368 55.8748 GPRESSURE: 1229600 232.492 -190.22 135.103 -71.2159 -95.9129 115.53 112.994 20.8581 138.333 PRESSAVG: 1229600 69.7308 5.91913 -35.634 5.91914 -52.4691 -17.6812 -35.634 -17.6812 15.5873 GPRESSAVG: 1229600 70.7987 6.27418 -35.3235 4.32465 -52.0949 -19.2395 -37.0636 -17.2581 14.6575 TIMING: 1229600 CPU: 3837.17, 0.00311054/step Wall: 3837.17, 0.00311054/step, 3.25778 hours remaining, 235.023438 MB of memory in use. ENERGY: 1229600 3901.9233 20443.7065 14478.2148 256.9799 -203520.3553 3150.3858 0.0000 0.0000 52157.8304 -109131.3145 299.7518 -161289.1449 -108779.1410 299.6370 61.2933 91.6373 763888.8020 10.9496 11.1205 PRESSURE: 1229800 99.5063 -40.0064 1.78006 -40.006 57.3446 -233.207 1.7802 -233.207 386.329 GPRESSURE: 1229800 208.604 -59.9255 55.4972 -50.1291 64.7111 -199.144 54.9461 -163.185 346.309 PRESSAVG: 1229800 -12.2797 21.6045 19.5113 21.6045 5.07339 -26.7231 19.5114 -26.7231 4.14402 GPRESSAVG: 1229800 -13.4432 20.9714 19.7811 22.0073 5.55243 -27.1781 20.0006 -26.5934 4.4734 TIMING: 1229800 CPU: 3837.79, 0.00313864/step Wall: 3837.79, 0.00313864/step, 3.28703 hours remaining, 235.023438 MB of memory in use. ENERGY: 1229800 3974.0660 20463.0558 14456.1765 238.3589 -203282.7718 2797.7463 0.0000 0.0000 52203.2508 -109150.1174 300.0128 -161353.3682 -108785.0147 299.3407 181.0598 206.5415 762421.8304 -1.0208 -1.1391 PRESSURE: 1230000 -34.2999 -196.62 -73.0301 -196.621 -139.843 -375.89 -73.0298 -375.891 4.99792 GPRESSURE: 1230000 75.0365 -187.33 -1.34167 -168.311 -125.981 -313.864 7.08691 -223.601 -31.705 PRESSAVG: 1230000 -22.9384 18.0523 32.1993 18.0523 41.3136 -27.3759 32.1993 -27.3759 3.4991 GPRESSAVG: 1230000 -22.6255 20.1793 34.1933 15.0149 40.8902 -28.2157 34.1641 -26.3391 3.51579 TIMING: 1230000 CPU: 3838.42, 0.00313641/step Wall: 3838.42, 0.00313641/step, 3.28452 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1230000 4008.6303 20517.5679 14413.6650 251.1636 -203201.4565 2638.5638 0.0000 0.0000 52193.5250 -109178.3408 299.9569 -161371.8658 -108825.2293 299.5034 -56.3817 -27.5499 762915.2438 7.2914 7.2602 PRESSURE: 1230200 -298.72 32.3101 -9.27736 32.3097 6.70166 -37.3562 -9.27696 -37.356 -102.172 GPRESSURE: 1230200 -268.34 -114.744 -83.0911 -3.4887 42.7036 -124.387 -16.4804 -54.5446 -57.8846 PRESSAVG: 1230200 -14.1734 -3.03276 22.0112 -3.03279 29.0996 -31.2012 22.0112 -31.2012 9.53699 GPRESSAVG: 1230200 -15.9105 -4.72558 20.9393 -0.817817 29.1679 -28.6609 18.8168 -30.5369 10.8137 TIMING: 1230200 CPU: 3839.05, 0.00314102/step Wall: 3839.05, 0.00314102/step, 3.28917 hours remaining, 235.023438 MB of memory in use. ENERGY: 1230200 3970.5228 20593.5994 14408.7070 271.1644 -203205.9227 2552.2800 0.0000 0.0000 52093.1543 -109316.4948 299.3801 -161409.6490 -108968.3829 299.2537 -131.3970 -94.5071 763730.3962 8.1544 8.0237 PRESSURE: 1230400 -98.6298 -10.5264 -50.894 -10.5253 55.3995 -94.3407 -50.8939 -94.3401 96.664 GPRESSURE: 1230400 -46.9573 -119.436 -28.927 -84.2571 101.214 -112.488 -27.3138 -173.968 85.7346 PRESSAVG: 1230400 4.70292 -77.2097 25.6435 -77.2097 -3.51867 -4.52103 25.6435 -4.52095 -5.15433 GPRESSAVG: 1230400 5.00971 -78.4644 23.852 -76.847 -3.48323 -4.22659 26.7939 -5.0859 -6.00344 TIMING: 1230400 CPU: 3839.67, 0.003113/step Wall: 3839.67, 0.003113/step, 3.25966 hours remaining, 235.023438 MB of memory in use. ENERGY: 1230400 3987.6776 20496.9199 14412.7146 266.8447 -203176.2513 2845.5226 0.0000 0.0000 51885.5628 -109281.0090 298.1870 -161166.5719 -108922.4149 299.1515 17.8112 46.6638 763128.1605 -1.3234 -1.4923 PRESSURE: 1230600 85.3648 -8.68691 -54.883 -8.6869 167.32 260.437 -54.8832 260.437 77.3204 GPRESSURE: 1230600 194.212 -48.2292 -68.7458 -32.6793 101.026 289.584 -21.9944 265.193 98.9668 PRESSAVG: 1230600 -9.65699 0.699278 40.2171 0.699327 15.4601 19.4972 40.2171 19.4972 -14.2591 GPRESSAVG: 1230600 -8.99395 1.79871 40.4339 -0.802744 14.4382 18.3682 42.7327 19.8184 -14.321 TIMING: 1230600 CPU: 3840.3, 0.00311994/step Wall: 3840.3, 0.00311994/step, 3.26675 hours remaining, 235.023438 MB of memory in use. ENERGY: 1230600 3937.6090 20635.3262 14386.1634 238.4188 -203837.7790 3204.4528 0.0000 0.0000 52087.9396 -109347.8692 299.3501 -161435.8088 -108983.7767 299.1184 110.0018 131.4016 762936.6757 -2.8186 -2.9589 PRESSURE: 1230800 -123.729 -103.514 27.6409 -103.514 -105.294 -45.7757 27.6398 -45.7749 152.867 GPRESSURE: 1230800 -37.504 -109.026 101.269 -82.1974 -99.3562 -40.7111 -68.3223 77.6152 137.655 PRESSAVG: 1230800 -23.035 21.0897 17.3799 21.0897 74.3431 3.119 17.3799 3.1191 2.73521 GPRESSAVG: 1230800 -23.7312 21.8092 17.6921 22.3022 75.4772 2.18797 14.8365 4.17304 2.25316 TIMING: 1230800 CPU: 3840.92, 0.00312222/step Wall: 3840.92, 0.00312222/step, 3.26896 hours remaining, 235.023438 MB of memory in use. ENERGY: 1230800 3964.6346 20518.6180 14365.4518 227.6194 -202981.1494 2630.1476 0.0000 0.0000 51876.8917 -109397.7862 298.1372 -161274.6779 -109033.3917 298.6722 -25.3852 0.2651 763187.3965 18.0145 17.9997 PRESSURE: 1231000 -167.821 61.1193 -161.917 61.1186 244.38 -195.982 -161.916 -195.982 -93.2187 GPRESSURE: 1231000 -154.284 67.495 -133.119 9.64502 293.021 -115.953 -144.373 -261.344 -86.0144 PRESSAVG: 1231000 -98.2693 10.9132 61.1299 10.9133 60.2788 -31.1584 61.1299 -31.1584 3.43328 GPRESSAVG: 1231000 -98.4784 10.3663 60.3254 11.4511 60.0189 -30.5197 61.6075 -32.2401 3.45264 TIMING: 1231000 CPU: 3841.54, 0.00311946/step Wall: 3841.54, 0.00311946/step, 3.2659 hours remaining, 235.023438 MB of memory in use. ENERGY: 1231000 3900.5908 20671.1172 14420.8911 256.5239 -203094.8736 2459.5803 0.0000 0.0000 51990.0517 -109396.1185 298.7875 -161386.1702 -109027.4113 298.9278 -5.5531 17.5743 762204.3760 -11.5191 -11.6689 PRESSURE: 1231200 -122.452 -87.1014 150.96 -87.1027 17.6956 39.6154 150.959 39.6165 -125.841 GPRESSURE: 1231200 -153.5 -61.9587 120.017 -75.2939 76.0991 26.3687 181.53 68.8875 -61.0729 PRESSAVG: 1231200 -23.7701 -27.6375 72.3266 -27.6374 24.2109 -19.9322 72.3267 -19.9322 -2.52684 GPRESSAVG: 1231200 -24.2261 -27.2014 73.5294 -27.2254 25.0658 -18.2886 72.1418 -19.3938 -3.14214 TIMING: 1231200 CPU: 3842.17, 0.00311041/step Wall: 3842.17, 0.00311041/step, 3.25625 hours remaining, 235.023438 MB of memory in use. ENERGY: 1231200 4074.0558 20600.3895 14414.7872 244.9222 -203208.2560 2806.5275 0.0000 0.0000 51912.3244 -109155.2494 298.3408 -161067.5738 -108804.1146 298.7295 -76.8658 -46.1579 764686.9779 -0.6953 -0.7675 PRESSURE: 1231400 -310.074 -96.0553 -119.352 -96.0555 -50.1261 -213.284 -119.352 -213.285 -84.5989 GPRESSURE: 1231400 -177.21 -198.778 -159.522 -103.957 -48.0678 -245.647 -89.4911 -249.686 -118.258 PRESSAVG: 1231400 -45.759 -26.4861 54.0472 -26.4861 68.8399 17.5027 54.0472 17.5027 13.9215 GPRESSAVG: 1231400 -44.5451 -27.5927 54.6512 -26.2246 67.1787 16.3564 53.5141 16.5786 14.7525 TIMING: 1231400 CPU: 3842.79, 0.0031088/step Wall: 3842.79, 0.0031088/step, 3.2544 hours remaining, 235.023438 MB of memory in use. ENERGY: 1231400 4034.2639 20532.8009 14383.1260 233.6095 -203591.2896 3184.0044 0.0000 0.0000 51960.8528 -109262.6321 298.6197 -161223.4849 -108892.2007 298.6751 -148.2663 -114.5119 764708.9703 12.3341 12.4621 PRESSURE: 1231600 -387.041 80.8242 10.0284 80.8247 -237.611 -152.095 10.0279 -152.095 -53.6959 GPRESSURE: 1231600 -335.795 -42.4063 -51.0797 62.3028 -192.766 -146.86 12.8171 45.9223 -74.9754 PRESSAVG: 1231600 -54.0941 -11.106 32.4826 -11.106 41.7206 22.145 32.4825 22.145 9.7042 GPRESSAVG: 1231600 -55.9345 -12.8511 32.0624 -11.036 42.4954 19.6514 33.5789 22.3012 10.9896 TIMING: 1231600 CPU: 3843.41, 0.00311491/step Wall: 3843.41, 0.00311491/step, 3.26062 hours remaining, 235.023438 MB of memory in use. ENERGY: 1231600 4039.5937 20574.5829 14388.5435 250.0226 -203015.3721 2649.2637 0.0000 0.0000 51794.5065 -109318.8592 297.6637 -161113.3657 -108961.1063 299.2593 -226.1159 -201.1789 765030.1724 -0.8897 -0.8165 PRESSURE: 1231800 95.9123 4.20785 193.092 4.20726 -153.667 434.385 193.092 434.384 204.011 GPRESSURE: 1231800 116.536 21.1486 200.749 -64.3536 -23.063 408.857 97.2786 303.833 137.693 PRESSAVG: 1231800 -15.7927 -24.6596 52.0741 -24.6596 8.16241 8.61594 52.0741 8.61602 -1.63508 GPRESSAVG: 1231800 -15.6227 -22.7404 52.3143 -26.2096 9.64463 10.2331 52.4471 9.90895 -3.11573 TIMING: 1231800 CPU: 3844.04, 0.0031441/step Wall: 3844.04, 0.0031441/step, 3.29099 hours remaining, 235.023438 MB of memory in use. ENERGY: 1231800 3918.8672 20402.9663 14431.7942 245.6921 -202886.7799 2525.3823 0.0000 0.0000 52086.1167 -109275.9612 299.3396 -161362.0779 -108911.2955 299.4177 48.7523 77.0555 764690.0527 -3.0885 -3.0313 PRESSURE: 1232000 25.2536 57.3262 90.6445 57.3255 265.618 80.3238 90.6433 80.3233 26.4599 GPRESSURE: 1232000 154.174 19.8048 155.032 203.199 230.913 78.1864 20.9795 122.98 17.4989 PRESSAVG: 1232000 37.8153 1.38087 0.900543 1.3808 -40.1097 -13.2071 0.900474 -13.207 -4.57362 GPRESSAVG: 1232000 37.6347 0.423588 -0.0968845 4.00276 -40.046 -12.4167 1.43896 -15.5684 -4.57102 TIMING: 1232000 CPU: 3844.66, 0.0031205/step Wall: 3844.66, 0.0031205/step, 3.26612 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1232000 3927.2752 20722.2367 14384.9525 252.3702 -203177.4952 2906.1109 0.0000 0.0000 52016.5616 -108967.9881 298.9399 -160984.5497 -108616.2649 298.9624 105.7773 134.1956 764174.5121 -2.2893 -2.3274 PRESSURE: 1232200 -0.506021 -105.229 60.5221 -105.229 436.719 -186.693 60.5224 -186.692 117.699 GPRESSURE: 1232200 25.4027 -161.232 46.2548 -58.7205 424.419 -225.848 69.0079 -125.611 208.216 PRESSAVG: 1232200 -22.7165 17.0137 31.5025 17.0137 6.62598 36.2162 31.5026 36.2162 0.735071 GPRESSAVG: 1232200 -20.9974 17.6642 32.9405 16.8043 5.08303 35.6873 32.001 37.0108 1.00448 TIMING: 1232200 CPU: 3845.29, 0.00312894/step Wall: 3845.29, 0.00312894/step, 3.27478 hours remaining, 235.023438 MB of memory in use. ENERGY: 1232200 3998.7833 20475.5514 14390.9715 263.1062 -203086.9466 2836.1661 0.0000 0.0000 52117.7395 -109004.6286 299.5214 -161122.3681 -108643.6858 299.3190 184.6375 219.3459 762733.1363 -5.1185 -4.9700 LDB: ============= START OF LOAD BALANCING ============== 3857.77 LDB: ============== END OF LOAD BALANCING =============== 3857.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3857.77 LDB: ============= START OF LOAD BALANCING ============== 3858.08 LDB: Largest compute 6988 load 0.029192 is 15.0% of average load 0.195118 LDB: Average compute 0.004368 is 2.2% of average load 0.195118 LDB: TIME 3858.09 LOAD: AVG 0.195118 MAX 0.212395 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.242 MB LDB: TIME 3858.09 LOAD: AVG 0.195118 MAX 0.212395 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.246 MB LDB: TIME 3858.09 LOAD: AVG 0.195118 MAX 0.212395 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.246 MB LDB: ============== END OF LOAD BALANCING =============== 3858.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3858.09 PRESSURE: 1232400 -169.819 -57.8704 -220.221 -57.8705 -75.0017 91.1322 -220.221 91.1318 11.492 GPRESSURE: 1232400 -148.121 -12.7507 -222.912 21.0779 -4.14013 109.399 -178.988 124.11 -18.9292 PRESSAVG: 1232400 -4.22794 27.6779 -0.12267 27.6779 -26.7037 2.05105 -0.122664 2.051 17.5539 GPRESSAVG: 1232400 -5.92094 28.16 -0.59819 26.4997 -25.7932 1.87851 -2.75935 1.12842 17.4162 TIMING: 1232400 CPU: 3845.93, 0.00319166/step Wall: 3845.93, 0.00319166/step, 3.34025 hours remaining, 234.050781 MB of memory in use. ENERGY: 1232400 3989.6336 20648.8201 14447.5420 247.8095 -203538.0131 3017.9880 0.0000 0.0000 52227.7857 -108958.4342 300.1538 -161186.2199 -108594.8497 299.5121 -77.7762 -57.0636 763346.6070 -4.4593 -4.7660 PRESSURE: 1232600 -299.918 -129.209 59.7653 -129.208 275.526 42.8287 59.7659 42.8287 -187.271 GPRESSURE: 1232600 -330.054 -211.995 101.163 -61.8754 309.259 95.3272 -15.3754 -30.2225 -109.23 PRESSAVG: 1232600 -8.59895 12.3897 -4.46887 12.3896 16.5241 15.938 -4.46886 15.938 11.7993 GPRESSAVG: 1232600 -8.92003 12.809 -5.61517 14.7323 17.3908 16.6588 -5.29288 15.2628 11.2153 TIMING: 1232600 CPU: 3846.55, 0.00312078/step Wall: 3846.55, 0.00312078/step, 3.2659 hours remaining, 234.050781 MB of memory in use. ENERGY: 1232600 4005.7512 20385.7162 14397.1872 245.2953 -203360.5628 3162.4038 0.0000 0.0000 52191.6783 -108972.5308 299.9463 -161164.2090 -108609.5065 299.6293 -70.5542 -43.3415 763084.3324 6.5748 6.5620 PRESSURE: 1232800 547.372 260.083 -10.9735 260.082 -184.508 -123.737 -10.9727 -123.737 -279.171 GPRESSURE: 1232800 544.501 182.794 -23.987 266.309 -142.582 -80.0011 90.0018 -214.892 -217.182 PRESSAVG: 1232800 64.8301 35.3998 17.1693 35.3998 -66.0593 3.92856 17.1694 3.92855 14.3576 GPRESSAVG: 1232800 64.4043 33.1576 18.5456 32.8984 -66.9691 4.32634 18.93 3.89559 15.551 TIMING: 1232800 CPU: 3847.18, 0.00311644/step Wall: 3847.18, 0.00311644/step, 3.26119 hours remaining, 234.050781 MB of memory in use. ENERGY: 1232800 4031.6592 20605.3718 14401.5845 257.9153 -203476.4067 2926.2087 0.0000 0.0000 52205.0486 -109048.6185 300.0231 -161253.6671 -108692.2074 299.6967 27.8977 61.5789 762914.7545 4.3761 4.3287 PRESSURE: 1233000 48.6151 -80.1914 -103.635 -80.1919 -8.77599 64.2819 -103.635 64.2821 79.9204 GPRESSURE: 1233000 51.1383 -108.258 -154.194 -29.2522 107.508 -16.5479 -151.194 128.877 43.9224 PRESSAVG: 1233000 37.315 31.1824 22.0347 31.1824 -35.0366 -9.39522 22.0348 -9.39527 -9.68597 GPRESSAVG: 1233000 39.0877 29.3732 19.9776 32.1909 -34.8976 -9.33867 23.1919 -7.56531 -12.06 TIMING: 1233000 CPU: 3847.8, 0.00311442/step Wall: 3847.8, 0.00311442/step, 3.25889 hours remaining, 234.050781 MB of memory in use. ENERGY: 1233000 3935.0352 20567.8857 14453.8934 242.1699 -203308.7023 2853.2028 0.0000 0.0000 52311.5270 -108944.9883 300.6351 -161256.5153 -108573.7972 300.0378 39.9198 67.5229 763283.1324 -2.4692 -2.6233 PRESSURE: 1233200 72.3636 52.9098 -80.5562 52.91 51.6462 -181.381 -80.557 -181.381 -16.901 GPRESSURE: 1233200 57.4615 58.4362 -9.16687 131.664 12.7223 -166.945 -10.6878 -142.955 114.561 PRESSAVG: 1233200 -45.7996 38.0658 17.589 38.0658 87.7802 41.9813 17.589 41.9814 -0.912357 GPRESSAVG: 1233200 -46.1222 42.6625 18.495 36.3159 86.9871 40.9916 16.7159 42.3237 0.530896 TIMING: 1233200 CPU: 3848.42, 0.0031138/step Wall: 3848.42, 0.0031138/step, 3.25808 hours remaining, 234.050781 MB of memory in use. ENERGY: 1233200 4031.3740 20656.5084 14486.6906 265.0198 -203028.2075 2718.6495 0.0000 0.0000 52052.5294 -108817.4359 299.1466 -160869.9653 -108460.1183 300.0501 35.7029 61.5817 764908.3043 13.6894 13.7986 PRESSURE: 1233400 309.929 -66.9354 -62.5348 -66.9352 241.983 127.027 -62.5355 127.028 194.648 GPRESSURE: 1233400 296.291 21.7674 -117.333 0.637531 317.577 179.75 -69.1444 53.4654 213.833 PRESSAVG: 1233400 25.7853 38.5004 7.49815 38.5004 18.0234 1.13278 7.49822 1.13286 -11.8478 GPRESSAVG: 1233400 24.1354 39.3777 7.30918 38.5654 19.0344 2.40936 6.63937 2.62801 -11.3587 TIMING: 1233400 CPU: 3849.05, 0.00312032/step Wall: 3849.05, 0.00312032/step, 3.26472 hours remaining, 234.050781 MB of memory in use. ENERGY: 1233400 3971.5461 20538.6204 14441.1307 251.6434 -203537.2471 2944.2285 0.0000 0.0000 52330.3771 -109059.7008 300.7434 -161390.0779 -108700.9125 299.5114 248.8535 275.9002 760736.0624 10.6536 10.6037 PRESSURE: 1233600 123.472 -123.162 154.232 -123.162 80.585 -155.421 154.233 -155.42 224.28 GPRESSURE: 1233600 115.035 -133.608 74.2574 -145.602 122.901 -101.119 233.058 -133.382 260.002 PRESSAVG: 1233600 -0.127669 3.06418 0.36234 3.06417 45.566 22.2511 0.36235 22.2511 21.3555 GPRESSAVG: 1233600 0.596316 0.87547 0.826171 4.12197 46.6224 22.3721 1.73552 20.8442 20.3484 TIMING: 1233600 CPU: 3849.67, 0.00312393/step Wall: 3849.67, 0.00312393/step, 3.26832 hours remaining, 234.050781 MB of memory in use. ENERGY: 1233600 4014.6347 20631.2617 14415.8364 240.7219 -202872.1685 2691.8562 0.0000 0.0000 52036.1819 -108841.6757 299.0527 -160877.8576 -108489.7304 299.6598 142.7790 165.9793 762784.9301 22.2646 22.5224 PRESSURE: 1233800 98.673 44.5894 -165.077 44.589 145.794 34.7971 -165.078 34.7971 -465.954 GPRESSURE: 1233800 93.6396 -130.558 -149.065 6.08641 164.869 15.393 -140.259 118.209 -386.639 PRESSAVG: 1233800 -30.6285 30.4645 10.6981 30.4646 38.745 10.0798 10.6981 10.0797 6.0397 GPRESSAVG: 1233800 -31.2309 29.693 10.656 29.5086 37.5455 10.8808 9.53575 8.21857 8.0059 TIMING: 1233800 CPU: 3850.3, 0.00314594/step Wall: 3850.3, 0.00314594/step, 3.29118 hours remaining, 234.050781 MB of memory in use. ENERGY: 1233800 3973.3261 20507.1171 14483.0828 258.7495 -203088.8294 2744.4617 0.0000 0.0000 52045.8124 -109076.2798 299.1080 -161122.0922 -108713.6715 299.7959 -73.8290 -42.7099 762296.1447 4.7187 4.7735 PRESSURE: 1234000 -166.416 -108.737 -164.418 -108.737 -124.742 -96.7208 -164.418 -96.7206 2.68466 GPRESSURE: 1234000 -95.6163 -36.6738 -46.6645 -133.854 -90.34 -30.817 -244.03 -23.6015 -0.500339 PRESSAVG: 1234000 57.9734 35.5472 -47.0835 35.5473 -36.35 5.81539 -47.0835 5.81533 -7.27177 GPRESSAVG: 1234000 58.2335 34.6646 -46.2828 36.5635 -35.6556 3.66421 -48.5825 6.28392 -8.03057 TIMING: 1234000 CPU: 3850.92, 0.00312495/step Wall: 3850.92, 0.00312495/step, 3.26905 hours remaining, 234.050781 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: 1234000 3967.6506 20747.9502 14476.9191 238.1760 -203611.0380 2964.0658 0.0000 0.0000 51999.6982 -109216.5780 298.8430 -161216.2762 -108854.7102 299.6116 -96.1577 -62.1522 762860.7914 4.7839 4.8491 PRESSURE: 1234200 -45.3874 232.557 -55.6741 232.557 44.0086 130.698 -55.6746 130.698 -463.271 GPRESSURE: 1234200 -44.0338 227.638 37.916 186.175 66.9293 109.784 -36.0049 61.0485 -403.995 PRESSAVG: 1234200 19.0129 36.0455 -19.3712 36.0455 10.624 -47.4358 -19.3711 -47.4359 -0.506643 GPRESSAVG: 1234200 19.9692 36.7947 -18.2614 36.1152 8.78773 -46.9223 -18.2319 -47.8161 0.188877 TIMING: 1234200 CPU: 3851.55, 0.00312362/step Wall: 3851.55, 0.00312362/step, 3.26748 hours remaining, 234.050781 MB of memory in use. ENERGY: 1234200 3993.2090 20735.5507 14462.4509 231.5971 -203316.7344 2850.1906 0.0000 0.0000 51693.5686 -109350.1675 297.0836 -161043.7362 -108986.8389 299.0565 -154.8833 -127.0332 763822.4141 9.7101 9.6486 PRESSURE: 1234400 -428.375 -122.221 308.79 -122.22 45.8562 55.6897 308.789 55.6902 -88.6003 GPRESSURE: 1234400 -397.006 -129.61 311.046 -11.4697 147.127 119.633 183.251 -53.0025 -130.249 PRESSAVG: 1234400 -6.93034 30.1371 -26.9145 30.1371 3.50589 2.35716 -26.9145 2.35717 12.3135 GPRESSAVG: 1234400 -6.48959 31.75 -26.3482 29.053 3.73567 2.41405 -28.0607 2.3213 11.838 TIMING: 1234400 CPU: 3852.17, 0.0031225/step Wall: 3852.17, 0.0031225/step, 3.26614 hours remaining, 234.050781 MB of memory in use. ENERGY: 1234400 4094.4800 20544.9773 14418.6399 254.9270 -203161.2683 2708.6219 0.0000 0.0000 52030.3590 -109109.2633 299.0192 -161139.6222 -108744.8482 299.0474 -157.0397 -126.7096 763165.3593 2.9630 3.0280 PRESSURE: 1234600 -171.413 -57.9055 -194.814 -57.9056 119.698 -43.8378 -194.815 -43.8385 -317.041 GPRESSURE: 1234600 -207.151 -109.019 -125.147 -110.072 133.921 -103.9 -213.249 6.36097 -210.195 PRESSAVG: 1234600 2.15368 -15.1693 -54.4906 -15.1693 4.97018 -32.1041 -54.4907 -32.1041 9.90863 GPRESSAVG: 1234600 0.989905 -17.7279 -55.5353 -12.6725 5.47893 -32.1887 -55.1065 -29.2675 10.5355 TIMING: 1234600 CPU: 3852.8, 0.00313514/step Wall: 3852.8, 0.00313514/step, 3.27919 hours remaining, 234.050781 MB of memory in use. ENERGY: 1234600 3901.3294 20651.6162 14442.6658 235.8756 -202861.1092 2500.8107 0.0000 0.0000 51997.8028 -109131.0087 298.8321 -161128.8115 -108758.0484 299.2683 -122.9187 -94.4750 762101.4745 5.6775 5.6681 PRESSURE: 1234800 56.431 346.299 133.693 346.3 -141.11 -251.236 133.694 -251.235 236.648 GPRESSURE: 1234800 75.2519 370.345 163.944 331.64 -117.19 -254.825 188.619 -174.412 272.38 PRESSAVG: 1234800 37.3494 31.3461 20.6551 31.3461 -23.773 -34.036 20.6551 -34.0359 -3.0858 GPRESSAVG: 1234800 37.0847 34.8049 20.6113 28.9208 -23.9468 -33.4859 23.4623 -37.5072 -2.68789 TIMING: 1234800 CPU: 3853.42, 0.00311622/step Wall: 3853.42, 0.00311622/step, 3.25922 hours remaining, 234.050781 MB of memory in use. ENERGY: 1234800 3973.8649 20507.0468 14426.1655 246.7115 -202913.4545 2421.0883 0.0000 0.0000 52256.7228 -109081.8548 300.3201 -161338.5776 -108715.9768 299.1059 50.6563 76.8139 763167.2833 3.4969 3.4833 PRESSURE: 1235000 -299.609 -101.49 191.99 -101.49 146.995 226.345 191.99 226.345 83.8199 GPRESSURE: 1235000 -247.766 -50.6412 282.49 -45.7174 158.276 204.419 256.038 313.465 70.8673 PRESSAVG: 1235000 31.0174 30.587 23.6118 30.587 -10.1224 8.7369 23.6119 8.73688 0.958199 GPRESSAVG: 1235000 31.9 28.8289 24.3861 28.3415 -10.2832 8.20552 22.4549 10.3425 0.0562798 TIMING: 1235000 CPU: 3854.05, 0.00313286/step Wall: 3854.05, 0.00313286/step, 3.27644 hours remaining, 234.050781 MB of memory in use. ENERGY: 1235000 3977.9404 20568.4936 14420.8060 248.9679 -203097.4297 2801.3237 0.0000 0.0000 51903.1764 -109176.7217 298.2883 -161079.8981 -108812.4345 298.9610 -22.9317 -6.2078 763152.0820 7.2844 7.2243 PRESSURE: 1235200 -85.9604 -10.4857 398.778 -10.4865 -213.267 -102.065 398.778 -102.065 219.606 GPRESSURE: 1235200 -156.831 13.8858 304.714 -18.2078 -187.145 9.83957 393.321 -79.834 349.99 PRESSAVG: 1235200 11.7907 -41.9059 10.8116 -41.9059 9.20674 -36.9814 10.8117 -36.9814 -9.13738 GPRESSAVG: 1235200 11.8589 -39.9868 8.74084 -39.739 9.0603 -35.5397 10.7773 -37.9707 -9.80991 TIMING: 1235200 CPU: 3854.68, 0.00312459/step Wall: 3854.68, 0.00312459/step, 3.26763 hours remaining, 234.050781 MB of memory in use. ENERGY: 1235200 4000.0204 20469.1155 14521.6664 235.4444 -203330.9792 2742.8861 0.0000 0.0000 52038.1859 -109323.6604 299.0642 -161361.8463 -108964.1334 299.0652 -26.5404 2.0047 762749.2114 3.9534 3.7031 PRESSURE: 1235400 -14.5675 -50.2614 -124.192 -50.2618 -371.271 201.338 -124.194 201.338 -269.649 GPRESSURE: 1235400 -2.20892 -43.3532 -161.04 34.4284 -282.434 157.177 -135.328 122.037 -286.531 PRESSAVG: 1235400 -13.3351 13.9699 -38.5784 13.9699 -2.13831 36.1113 -38.5784 36.1112 12.0973 GPRESSAVG: 1235400 -13.1678 13.7198 -38.6716 12.8787 -0.982745 34.0703 -40.0929 37.2828 11.067 TIMING: 1235400 CPU: 3855.3, 0.00314243/step Wall: 3855.3, 0.00314243/step, 3.28611 hours remaining, 234.050781 MB of memory in use. ENERGY: 1235400 4039.3090 20515.2839 14439.9606 254.4854 -203677.4053 2973.8689 0.0000 0.0000 52107.7251 -109346.7724 299.4638 -161454.4975 -108988.3315 298.8839 -218.4959 -190.3913 761000.0480 -1.1254 -1.0279 PRESSURE: 1235600 72.4306 20.7682 -39.6882 20.7692 -128.635 57.3862 -39.6886 57.3854 -39.6959 GPRESSURE: 1235600 89.3146 -93.5104 -56.7233 62.2558 -32.8516 77.2228 63.5342 109.43 -71.5261 PRESSAVG: 1235600 46.1311 50.5284 -29.4107 50.5284 -31.012 -11.8296 -29.4107 -11.8297 5.40996 GPRESSAVG: 1235600 45.5171 49.9042 -27.3284 51.3824 -32.6053 -10.8527 -27.7965 -11.8601 6.81412 TIMING: 1235600 CPU: 3855.93, 0.00314494/step Wall: 3855.93, 0.00314494/step, 3.28856 hours remaining, 234.050781 MB of memory in use. ENERGY: 1235600 3994.9854 20559.0617 14387.1900 247.4119 -203358.8392 2888.1377 0.0000 0.0000 51994.3424 -109287.7100 298.8122 -161282.0525 -108930.0673 299.8721 -31.9667 -5.0210 761745.7181 6.8430 6.5753 PRESSURE: 1235800 42.369 180.528 88.9214 180.526 267.773 -93.5622 88.9215 -93.5618 -190.84 GPRESSURE: 1235800 -14.8676 89.6083 111.271 24.4124 355.053 -61.8104 112.614 -136.201 -149.422 PRESSAVG: 1235800 -32.4266 45.1786 63.2528 45.1786 25.6261 -40.3675 63.2529 -40.3675 -8.52083 GPRESSAVG: 1235800 -33.0167 44.4682 62.386 44.7625 26.4555 -43.0394 63.2464 -39.4684 -8.79518 TIMING: 1235800 CPU: 3856.56, 0.0031318/step Wall: 3856.56, 0.0031318/step, 3.27465 hours remaining, 234.050781 MB of memory in use. ENERGY: 1235800 3993.6607 20503.6615 14364.4525 259.4802 -203553.9537 2777.4102 0.0000 0.0000 52312.9416 -109342.3469 300.6432 -161655.2885 -108975.0560 299.0464 39.7676 63.5879 760973.9079 -5.1071 -5.1188 PRESSURE: 1236000 -128.48 -7.20246 -91.762 -7.20215 -92.4239 -209.78 -91.7624 -209.78 -236.434 GPRESSURE: 1236000 -53.4851 -82.8891 -101.707 14.1101 -98.855 -251.776 -223.693 -195.559 -224.71 PRESSAVG: 1236000 -0.711731 -11.6591 -18.2855 -11.6591 20.1167 -34.6406 -18.2855 -34.6407 3.96344 GPRESSAVG: 1236000 0.205933 -10.1756 -19.2561 -11.4422 18.7559 -33.0154 -19.0684 -34.6478 3.89331 TIMING: 1236000 CPU: 3857.19, 0.00313551/step Wall: 3857.19, 0.00313551/step, 3.27835 hours remaining, 234.050781 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: 1236000 4026.4825 20554.9429 14352.2666 246.5546 -203565.9170 2937.2221 0.0000 0.0000 52050.4317 -109398.0166 299.1345 -161448.4483 -109049.4357 299.5927 -152.4458 -125.6833 760260.7116 7.7895 7.6184 PRESSURE: 1236200 41.6649 73.3763 -105.825 73.3769 -29.9341 109.867 -105.825 109.868 -177.077 GPRESSURE: 1236200 80.7894 68.3116 -142.541 238.216 50.1929 167.005 -128.017 108.591 -200.399 PRESSAVG: 1236200 37.9329 22.3341 -1.03805 22.334 -37.321 -36.5604 -1.03803 -36.5605 4.06397 GPRESSAVG: 1236200 37.703 22.2136 -0.393178 20.7191 -37.0075 -35.7248 0.833098 -37.4094 4.0088 TIMING: 1236200 CPU: 3857.81, 0.00311009/step Wall: 3857.81, 0.00311009/step, 3.2516 hours remaining, 234.050781 MB of memory in use. ENERGY: 1236200 4024.7733 20477.1315 14409.0451 256.1349 -203188.9606 2705.4397 0.0000 0.0000 51955.5886 -109360.8476 298.5895 -161316.4362 -108993.4933 298.8550 -55.1153 -23.1390 762225.2862 1.5586 1.5681 LDB: ============= START OF LOAD BALANCING ============== 3870.29 LDB: ============== END OF LOAD BALANCING =============== 3870.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3870.29 LDB: ============= START OF LOAD BALANCING ============== 3870.6 LDB: Largest compute 7010 load 0.029578 is 15.2% of average load 0.195102 LDB: Average compute 0.004360 is 2.2% of average load 0.195102 LDB: TIME 3870.61 LOAD: AVG 0.195102 MAX 0.216408 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.562 MB LDB: TIME 3870.61 LOAD: AVG 0.195102 MAX 0.216408 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.656 MB LDB: TIME 3870.61 LOAD: AVG 0.195102 MAX 0.216408 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.656 MB LDB: ============== END OF LOAD BALANCING =============== 3870.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3870.61 PRESSURE: 1236400 241.404 77.7539 -97.7899 77.7534 72.9865 -130.994 -97.7907 -130.994 228.803 GPRESSURE: 1236400 303.189 194.632 -70.715 52.4819 87.7543 -261.02 -138.884 -139.209 235.085 PRESSAVG: 1236400 43.0146 12.4602 12.9119 12.4603 -36.9476 1.0074 12.9118 1.0074 25.0374 GPRESSAVG: 1236400 43.0172 10.403 12.2957 14.6059 -36.1725 -0.494698 12.1611 3.14722 24.8747 TIMING: 1236400 CPU: 3858.45, 0.00319253/step Wall: 3858.45, 0.00319253/step, 3.33761 hours remaining, 234.562500 MB of memory in use. ENERGY: 1236400 4049.2953 20599.9813 14394.1600 259.0756 -203664.5658 3108.9328 0.0000 0.0000 51836.9917 -109416.1291 297.9079 -161253.1208 -109057.6407 298.6311 181.0644 208.6761 761690.5188 10.3681 10.5731 PRESSURE: 1236600 -496.343 133.473 83.1117 133.473 -177.443 95.3348 83.1115 95.3344 28.7052 GPRESSURE: 1236600 -304.145 -43.0201 88.8236 141.192 -184.395 111.682 -96.1591 151.755 -65.745 PRESSAVG: 1236600 21.5779 4.24873 19.3913 4.24874 -16.4125 21.8748 19.3914 21.8748 -6.85742 GPRESSAVG: 1236600 22.8467 3.46194 19.9717 4.95848 -18.7802 23.2713 17.576 21.3893 -5.863 TIMING: 1236600 CPU: 3859.07, 0.00310927/step Wall: 3859.07, 0.00310927/step, 3.2504 hours remaining, 234.562500 MB of memory in use. ENERGY: 1236600 4066.7469 20262.5040 14452.3661 240.9803 -203413.3520 2781.2329 0.0000 0.0000 52140.9143 -109468.6074 299.6546 -161609.5218 -109093.6191 299.1370 -215.0270 -184.7616 762040.4607 -0.5640 -0.5988 PRESSURE: 1236800 129.737 215.096 104.124 215.095 43.3045 -251.344 104.123 -251.345 -113.753 GPRESSURE: 1236800 86.5974 163.858 87.822 218.072 232.069 -257.329 158.254 -349.803 -169.64 PRESSAVG: 1236800 -20.2004 23.1673 58.7877 23.1673 -9.07221 -34.7023 58.7877 -34.7024 -18.401 GPRESSAVG: 1236800 -20.2166 25.2089 57.4277 20.5682 -7.9795 -34.089 60.9427 -36.7188 -19.9248 TIMING: 1236800 CPU: 3859.7, 0.00313231/step Wall: 3859.7, 0.00313231/step, 3.2743 hours remaining, 234.562500 MB of memory in use. ENERGY: 1236800 4035.1677 20359.4634 14332.4742 239.7893 -203452.0829 3017.5214 0.0000 0.0000 52190.2154 -109277.4515 299.9379 -161467.6669 -108914.5851 298.7634 19.7626 49.6753 762939.0136 -15.8912 -16.0403 PRESSURE: 1237000 -190.441 -44.7029 49.9123 -44.7029 -310.331 -114.422 49.9128 -114.422 81.5356 GPRESSURE: 1237000 -193.252 4.17098 10.7102 -65.7816 -231.36 -151.885 23.9675 -66.8948 87.2858 PRESSAVG: 1237000 36.8081 54.2655 41.0929 54.2654 0.636494 -66.1246 41.0929 -66.1246 -15.8279 GPRESSAVG: 1237000 36.3344 55.266 41.5287 54.7052 1.04166 -66.751 41.349 -66.5947 -16.0314 TIMING: 1237000 CPU: 3860.32, 0.00312992/step Wall: 3860.32, 0.00312992/step, 3.27164 hours remaining, 234.562500 MB of memory in use. ENERGY: 1237000 3993.0784 20637.6791 14424.1492 248.9914 -203359.4602 2702.9755 0.0000 0.0000 52112.4528 -109240.1339 299.4910 -161352.5867 -108880.2703 298.9969 -139.7455 -112.4421 762190.7366 7.2056 7.1149 PRESSURE: 1237200 -149.334 -2.52301 269.879 -2.52257 149.823 137.237 269.879 137.237 -317.04 GPRESSURE: 1237200 -32.6302 -63.7457 276.553 11.6052 -14.4096 222.828 314.317 172.565 -191.199 PRESSAVG: 1237200 54.7439 -4.71767 42.275 -4.71765 -27.5671 -15.1637 42.275 -15.1637 17.2746 GPRESSAVG: 1237200 55.3354 -6.64444 43.0748 -2.78754 -28.4285 -15.5896 43.312 -12.5167 17.0173 TIMING: 1237200 CPU: 3860.95, 0.00312267/step Wall: 3860.95, 0.00312267/step, 3.26388 hours remaining, 234.562500 MB of memory in use. ENERGY: 1237200 4026.9352 20735.1179 14423.1827 252.2860 -203105.8340 2572.1267 0.0000 0.0000 52019.7947 -109076.3908 298.9585 -161096.1856 -108721.9475 299.6232 -105.5170 -79.4130 761281.6197 14.8171 14.6414 PRESSURE: 1237400 63.5801 -191.947 -81.0235 -191.946 -231.681 -125.318 -81.0242 -125.318 -338.669 GPRESSURE: 1237400 140.534 -211.593 11.2034 -226.813 -248.78 -125.067 -113.895 4.48603 -317.441 PRESSAVG: 1237400 25.1431 24.7821 -44.2347 24.782 -7.39583 32.3817 -44.2348 32.3817 1.0395 GPRESSAVG: 1237400 25.1399 24.5071 -45.1971 23.0305 -7.82417 33.707 -43.3434 31.5662 1.85871 TIMING: 1237400 CPU: 3861.57, 0.00313801/step Wall: 3861.57, 0.00313801/step, 3.27975 hours remaining, 234.562500 MB of memory in use. ENERGY: 1237400 3974.2037 20640.9859 14416.9809 234.8566 -202995.2281 2648.1412 0.0000 0.0000 52131.8329 -108948.2269 299.6024 -161080.0598 -108585.8181 299.5756 -168.9233 -141.8955 762160.2947 6.2623 6.3915 PRESSURE: 1237600 -43.2693 16.8389 19.298 16.8378 -339.119 123.516 19.2977 123.515 -191.59 GPRESSURE: 1237600 25.9006 -30.0081 39.5139 9.78115 -327.544 135.217 27.4938 60.871 -185.39 PRESSAVG: 1237600 61.9373 1.87701 -15.0428 1.87702 -85.9996 6.46148 -15.0428 6.46145 6.30064 GPRESSAVG: 1237600 62.0246 3.58583 -15.0279 0.837793 -86.7747 4.50371 -16.0509 4.90368 6.56907 TIMING: 1237600 CPU: 3862.2, 0.00314311/step Wall: 3862.2, 0.00314311/step, 3.2849 hours remaining, 234.562500 MB of memory in use. ENERGY: 1237600 3882.6841 20548.8244 14428.9798 235.8044 -203356.2447 2880.0074 0.0000 0.0000 52168.6280 -109211.3166 299.8138 -161379.9446 -108849.7559 299.3000 -191.3263 -162.3447 762453.2275 -5.9205 -6.0604 PRESSURE: 1237800 -92.0623 -163.974 261.623 -163.974 -163.097 -144.65 261.623 -144.65 -183.035 GPRESSURE: 1237800 -150.631 -86.6903 211.44 -217.798 -105.318 -31.0411 118.229 50.714 -106.952 PRESSAVG: 1237800 34.4405 -23.5177 -0.618087 -23.5177 -32.4491 -3.35327 -0.618145 -3.35317 15.4546 GPRESSAVG: 1237800 33.4228 -22.9185 0.345483 -23.7929 -32.8618 -2.84453 -1.11288 -1.52629 16.6662 TIMING: 1237800 CPU: 3862.83, 0.00313951/step Wall: 3862.83, 0.00313951/step, 3.28097 hours remaining, 234.562500 MB of memory in use. ENERGY: 1237800 4034.3937 20543.6067 14378.3889 268.4316 -203520.9565 2950.6648 0.0000 0.0000 51966.3177 -109379.1532 298.6511 -161345.4709 -109003.5624 299.5074 -146.0645 -120.9670 763927.6268 5.8153 5.7424 PRESSURE: 1238000 -81.4963 -22.4195 -13.3095 -22.4193 -90.9489 245.967 -13.3096 245.967 -785.008 GPRESSURE: 1238000 -174.284 -106.842 26.4448 117.776 -34.9427 285.529 -38.6311 238.668 -678.359 PRESSAVG: 1238000 -15.1554 51.6246 -8.95351 51.6245 17.9064 -35.2036 -8.95347 -35.2036 14.8914 GPRESSAVG: 1238000 -16.4735 50.8693 -10.0698 53.4284 20.4177 -33.075 -9.34784 -36.5323 13.1298 TIMING: 1238000 CPU: 3863.46, 0.00313709/step Wall: 3863.46, 0.00313709/step, 3.27825 hours remaining, 234.562500 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: 1238000 3975.9875 20673.9089 14465.9221 248.5083 -203152.2010 2707.3311 0.0000 0.0000 51736.4721 -109344.0710 297.3302 -161080.5431 -108980.4163 298.7427 -319.1512 -295.8621 764477.0293 5.8808 5.6913 PRESSURE: 1238200 59.9049 83.4089 -181.869 83.4088 61.529 47.5972 -181.869 47.5979 -198.446 GPRESSURE: 1238200 154.27 98.0801 -215.297 156.926 -37.2079 22.3369 -319.86 175.743 -120.459 PRESSAVG: 1238200 2.46728 33.1903 -19.1328 33.1903 16.156 49.1492 -19.1328 49.1491 17.7522 GPRESSAVG: 1238200 3.07523 33.1098 -20.693 31.1269 15.7959 46.7187 -19.0767 50.0629 17.1659 TIMING: 1238200 CPU: 3864.09, 0.00315216/step Wall: 3864.09, 0.00315216/step, 3.29383 hours remaining, 234.562500 MB of memory in use. ENERGY: 1238200 3985.6449 20622.7200 14412.8101 234.4255 -203207.8397 2707.9448 0.0000 0.0000 51717.5440 -109526.7505 297.2214 -161244.2944 -109171.8396 298.5194 -25.6708 -1.1320 764348.0410 12.1252 12.0124 PRESSURE: 1238400 355.406 -148.834 -201.918 -148.834 -22.5713 121.987 -201.917 121.987 123.899 GPRESSURE: 1238400 341.987 -216.827 -158.237 -136.87 100.524 59.6145 -190.611 90.6506 91.6087 PRESSAVG: 1238400 -45.8472 -39.746 -65.0911 -39.746 -19.1774 55.3096 -65.0911 55.3095 -16.3992 GPRESSAVG: 1238400 -46.6218 -40.8812 -63.3139 -39.013 -17.8893 55.1057 -65.7125 54.5593 -16.601 TIMING: 1238400 CPU: 3864.71, 0.00313414/step Wall: 3864.71, 0.00313414/step, 3.27483 hours remaining, 234.562500 MB of memory in use. ENERGY: 1238400 3995.5880 20445.2412 14466.5829 244.4470 -203137.8972 2659.0141 0.0000 0.0000 51984.0325 -109342.9915 298.7529 -161327.0240 -108981.4300 298.5721 152.2444 178.0399 762765.6310 -27.1413 -27.0374 PRESSURE: 1238600 252.136 105.362 144.144 105.362 245.711 6.26166 144.144 6.26217 372.243 GPRESSURE: 1238600 291.094 136.416 76.5496 171.509 265.909 67.1664 199.046 22.2511 397.081 PRESSAVG: 1238600 -11.0534 5.98315 21.2315 5.98318 -4.28894 -0.228445 21.2315 -0.228485 -9.3653 GPRESSAVG: 1238600 -10.1192 7.62004 20.3183 5.60806 -5.47608 0.0659296 23.3651 0.526074 -9.1459 TIMING: 1238600 CPU: 3865.34, 0.00311495/step Wall: 3865.34, 0.00311495/step, 3.2546 hours remaining, 234.562500 MB of memory in use. ENERGY: 1238600 3886.8043 20478.7517 14462.3821 243.5715 -203513.1685 2827.5261 0.0000 0.0000 52041.0207 -109573.1120 299.0805 -161614.1327 -109201.0900 298.4654 290.0300 318.0280 762502.7404 -8.2359 -8.2471 PRESSURE: 1238800 214.907 49.6175 -79.7997 49.6184 68.1705 76.4191 -79.8004 76.4179 -449.698 GPRESSURE: 1238800 271.487 3.8805 -95.2317 71.5096 62.2542 43.459 -188.417 96.7695 -425.1 PRESSAVG: 1238800 43.5407 -10.1725 40.296 -10.1725 -37.5216 7.65316 40.296 7.65317 14.4482 GPRESSAVG: 1238800 44.4747 -10.4981 41.6941 -9.13206 -38.1402 7.31296 37.8131 6.43172 14.3785 TIMING: 1238800 CPU: 3865.96, 0.00311974/step Wall: 3865.96, 0.00311974/step, 3.25943 hours remaining, 234.562500 MB of memory in use. ENERGY: 1238800 4008.5061 20471.3409 14468.3906 245.0631 -203101.5810 2661.3456 0.0000 0.0000 51916.0792 -109330.8555 298.3624 -161246.9347 -108975.0933 298.4378 -55.5401 -30.4531 761842.2024 6.8224 6.9043 PRESSURE: 1239000 -66.5986 209.906 35.9338 209.906 73.4458 -158.796 35.9345 -158.795 345.665 GPRESSURE: 1239000 -39.3744 68.5476 31.9314 159.779 101.578 -150.193 127.543 3.65169 362.024 PRESSAVG: 1239000 -17.8038 -52.3581 -8.01504 -52.3581 19.5459 6.10795 -8.01506 6.10805 -19.2226 GPRESSAVG: 1239000 -17.7461 -52.0068 -10.0564 -51.7563 19.0864 4.96877 -5.47262 8.34722 -19.1337 TIMING: 1239000 CPU: 3866.59, 0.00312623/step Wall: 3866.59, 0.00312623/step, 3.26604 hours remaining, 234.562500 MB of memory in use. ENERGY: 1239000 3887.0431 20585.4219 14410.1266 263.9135 -203563.5806 2908.7739 0.0000 0.0000 52204.7084 -109303.5931 300.0212 -161508.3016 -108933.1766 298.5494 117.5040 141.4094 761354.7545 -5.8268 -5.9311 PRESSURE: 1239200 -350.256 -41.0491 109.222 -41.0482 -606.262 197.891 109.221 197.891 291.601 GPRESSURE: 1239200 -386.196 21.1486 -8.00651 38.3724 -441.154 256.256 70.8519 223.768 245.334 PRESSAVG: 1239200 0.832951 -57.5797 -6.90755 -57.5796 -10.0631 34.7955 -6.90748 34.7956 -3.98126 GPRESSAVG: 1239200 -0.198823 -57.459 -6.47589 -59.2387 -9.95438 35.9164 -8.3753 31.7781 -2.75752 TIMING: 1239200 CPU: 3867.21, 0.00312892/step Wall: 3867.21, 0.00312892/step, 3.26868 hours remaining, 234.562500 MB of memory in use. ENERGY: 1239200 4008.6925 20538.5216 14442.8964 230.3310 -203363.9986 2646.5028 0.0000 0.0000 52235.3741 -109261.6802 300.1974 -161497.0544 -108893.1813 299.5664 -221.6392 -194.0054 763645.1539 -4.4038 -4.3036 PRESSURE: 1239400 -96.153 -163.393 167.192 -163.392 -326.293 82.0528 167.193 82.0531 240.382 GPRESSURE: 1239400 -141.508 -73.045 168.942 -109.527 -136.968 73.3694 208.096 64.6835 178.6 PRESSAVG: 1239400 -32.6646 -56.6704 -6.37038 -56.6704 -24.9585 13.8347 -6.37039 13.8347 -15.2386 GPRESSAVG: 1239400 -32.211 -56.5502 -4.71587 -53.715 -23.9042 15.3334 -6.93787 13.8569 -16.6339 TIMING: 1239400 CPU: 3867.83, 0.00310907/step Wall: 3867.83, 0.00310907/step, 3.24777 hours remaining, 234.562500 MB of memory in use. ENERGY: 1239400 3979.0591 20568.5085 14432.7956 250.9563 -203418.1643 2643.6356 0.0000 0.0000 52145.4337 -109397.7756 299.6805 -161543.2093 -109031.3114 298.8482 -60.6883 -33.2921 761521.1957 -24.2872 -24.2497 PRESSURE: 1239600 134.536 -45.5859 4.44405 -45.5852 -137.067 -18.5736 4.4444 -18.5731 -214.283 GPRESSURE: 1239600 152.817 -52.484 -13.9333 -50.4356 -59.7095 22.5211 121.188 57.4039 -218.986 PRESSAVG: 1239600 -8.89542 -31.8407 10.3831 -31.8407 -10.3234 -25.6002 10.3831 -25.6002 0.847312 GPRESSAVG: 1239600 -10.1691 -33.7599 11.0616 -33.8775 -9.20768 -27.3178 11.3779 -23.9613 1.90887 TIMING: 1239600 CPU: 3868.46, 0.00312439/step Wall: 3868.46, 0.00312439/step, 3.2636 hours remaining, 234.562500 MB of memory in use. ENERGY: 1239600 3883.6875 20518.2158 14437.6446 235.1267 -203518.6615 3033.0407 0.0000 0.0000 52084.7829 -109326.1631 299.3320 -161410.9461 -108969.6484 298.9621 -72.2713 -41.9595 761739.5464 -6.1238 -5.8226 PRESSURE: 1239800 5.56116 36.2527 42.0411 36.2518 77.996 -233.514 42.0411 -233.515 -279.33 GPRESSURE: 1239800 91.9745 -18.8588 29.0112 106.337 111.033 -115.275 84.2575 -247.218 -320.245 PRESSAVG: 1239800 28.7004 -67.7469 12.5379 -67.7469 15.7668 26.5932 12.5379 26.5933 15.835 GPRESSAVG: 1239800 30.2213 -67.0119 11.122 -67.5976 14.1565 26.8835 12.6952 27.5082 15.9391 TIMING: 1239800 CPU: 3869.08, 0.00311964/step Wall: 3869.08, 0.00311964/step, 3.25847 hours remaining, 234.562500 MB of memory in use. ENERGY: 1239800 3969.3546 20687.4947 14422.8738 265.8452 -203371.5078 2893.3438 0.0000 0.0000 51977.4547 -109155.1409 298.7151 -161132.5956 -108790.9911 299.3366 -65.2575 -39.0791 761705.7835 20.1007 20.1056 PRESSURE: 1240000 28.5844 -125.814 73.5971 -125.815 -301.075 81.3332 73.5974 81.3334 -582.788 GPRESSURE: 1240000 8.23409 -138.984 1.10407 -168.663 -254.413 78.2601 2.85589 59.6786 -522.629 PRESSAVG: 1240000 19.8915 -69.0733 -51.2914 -69.0734 1.1628 18.1254 -51.2914 18.1254 2.11433 GPRESSAVG: 1240000 20.3034 -67.9042 -52.5055 -70.5358 0.978713 17.2191 -51.193 17.0183 1.63273 TIMING: 1240000 CPU: 3869.71, 0.00313044/step Wall: 3869.71, 0.00313044/step, 3.26957 hours remaining, 234.562500 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: 1240000 3984.9754 20639.7955 14428.7695 257.8142 -203526.1846 3002.8917 0.0000 0.0000 52223.3569 -108988.5813 300.1283 -161211.9382 -108625.1222 299.6781 -285.0929 -256.2694 763431.9156 7.7229 7.6383 PRESSURE: 1240200 -484.67 296.248 -180.614 296.247 -372.992 -35.7096 -180.614 -35.7095 -169.257 GPRESSURE: 1240200 -439.229 283.945 -220.878 213.013 -335.302 -146.224 -191.906 5.63229 -162.749 PRESSAVG: 1240200 -67.1399 3.17414 53.2383 3.17421 66.0748 35.9728 53.2383 35.9728 5.63286 GPRESSAVG: 1240200 -68.6768 2.1039 54.4471 7.01646 66.9304 36.6106 54.4217 34.0297 5.98101 TIMING: 1240200 CPU: 3870.33, 0.00310688/step Wall: 3870.33, 0.00310688/step, 3.24479 hours remaining, 234.562500 MB of memory in use. ENERGY: 1240200 3945.7222 20717.0357 14456.6909 262.4311 -203047.1239 2516.5665 0.0000 0.0000 52260.1307 -108888.5467 300.3397 -161148.6774 -108525.3966 299.7472 -342.3062 -312.4267 762288.7549 1.5226 1.4115 LDB: ============= START OF LOAD BALANCING ============== 3882.81 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3882.81 LDB: =============== DONE WITH MIGRATION ================ 3882.81 LDB: ============= START OF LOAD BALANCING ============== 3883.12 LDB: Largest compute 7052 load 0.029231 is 15.0% of average load 0.195170 LDB: Average compute 0.004354 is 2.2% of average load 0.195170 LDB: TIME 3883.13 LOAD: AVG 0.19517 MAX 0.21305 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.539 MB LDB: TIME 3883.13 LOAD: AVG 0.19517 MAX 0.21305 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.543 MB LDB: TIME 3883.13 LOAD: AVG 0.19517 MAX 0.21305 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.543 MB LDB: ============== END OF LOAD BALANCING =============== 3883.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3883.14 PRESSURE: 1240400 44.1418 -44.6014 32.8762 -44.6015 -113.753 256.555 32.8764 256.556 -53.6884 GPRESSURE: 1240400 123.063 12.7223 -86.2659 12.0722 -137.29 293.519 138.309 141.614 -47.8839 PRESSAVG: 1240400 30.0136 31.0565 17.2619 31.0565 -17.2144 58.3544 17.2619 58.3544 9.34664 GPRESSAVG: 1240400 30.617 31.1732 16.8995 29.8641 -18.0914 59.4465 16.2528 57.0939 9.12844 TIMING: 1240400 CPU: 3870.97, 0.00319209/step Wall: 3870.97, 0.00319209/step, 3.33361 hours remaining, 235.343750 MB of memory in use. ENERGY: 1240400 4068.3746 20783.6579 14464.3857 236.3057 -203355.4704 2978.6084 0.0000 0.0000 51952.9687 -108871.1694 298.5744 -160824.1381 -108507.8788 300.0910 -41.0998 -20.7037 762886.1281 7.3819 7.2180 PRESSURE: 1240600 -33.4843 -200.668 106.074 -200.669 36.407 -106.89 106.074 -106.89 -9.33844 GPRESSURE: 1240600 -89.9681 -148.912 85.5762 -180.22 103.636 -10.3637 139.406 -166.192 60.9647 PRESSAVG: 1240600 49.1052 -51.5854 19.9384 -51.5854 -53.8743 22.3654 19.9384 22.3654 11.8249 GPRESSAVG: 1240600 48.2891 -50.1295 20.9899 -52.2776 -52.9867 20.1268 20.2 24.8854 11.8402 TIMING: 1240600 CPU: 3871.59, 0.00312288/step Wall: 3871.59, 0.00312288/step, 3.26115 hours remaining, 235.414062 MB of memory in use. ENERGY: 1240600 3966.6152 20695.2155 14476.6753 241.1603 -203053.4418 2733.3628 0.0000 0.0000 52042.3131 -108898.0995 299.0879 -160940.4126 -108536.8824 299.8597 -2.1386 24.8776 763958.9860 2.3519 2.3809 PRESSURE: 1240800 -47.0808 -182.736 59.7152 -182.737 -138.581 -207.17 59.7162 -207.17 -110.96 GPRESSURE: 1240800 -37.144 -188.752 31.1095 -57.3418 -68.8911 -277.23 106.192 -107.957 -102.234 PRESSAVG: 1240800 -16.1923 -50.3429 -22.4094 -50.3429 28.3295 5.56245 -22.4094 5.56244 5.47245 GPRESSAVG: 1240800 -16.7121 -53.6361 -23.8152 -47.6507 28.7754 7.42751 -23.8385 5.92282 5.07371 TIMING: 1240800 CPU: 3872.22, 0.00311484/step Wall: 3872.22, 0.00311484/step, 3.25258 hours remaining, 235.414062 MB of memory in use. ENERGY: 1240800 3981.0225 20517.1987 14423.9144 238.0034 -202946.4212 2691.8613 0.0000 0.0000 52240.5365 -108853.8844 300.2271 -161094.4209 -108486.6585 299.9736 -98.8741 -69.4230 764416.2329 5.8699 5.7123 PRESSURE: 1241000 7.40767 -43.0161 -19.7257 -43.0159 -282.64 -175.33 -19.7259 -175.33 179.427 GPRESSURE: 1241000 37.2103 26.7716 -69.8789 -33.6655 -235.736 -182.559 76.3537 -176.127 195.585 PRESSAVG: 1241000 0.403851 -15.8358 39.8511 -15.8359 -8.65338 70.298 39.851 70.298 19.6621 GPRESSAVG: 1241000 1.05172 -13.4729 39.2197 -19.3397 -11.0559 70.2987 40.2472 69.273 21.0992 TIMING: 1241000 CPU: 3872.84, 0.00312345/step Wall: 3872.84, 0.00312345/step, 3.26141 hours remaining, 235.414062 MB of memory in use. ENERGY: 1241000 4018.9584 20668.9400 14337.5786 249.0606 -203215.0129 2856.4071 0.0000 0.0000 52371.8213 -108712.2468 300.9816 -161084.0681 -108336.8036 300.1299 -31.9352 -0.9802 763811.3423 3.8042 3.6983 PRESSURE: 1241200 -164.8 -92.475 -318.891 -92.4753 -135.569 18.9131 -318.891 18.9126 -114.426 GPRESSURE: 1241200 -77.9782 -36.2558 -223.837 50.1178 -181.504 6.26145 -238.35 29.5391 -83.8317 PRESSAVG: 1241200 3.61725 6.74597 13.2915 6.74594 14.1655 -0.977806 13.2915 -0.977763 -18.5943 GPRESSAVG: 1241200 2.82348 7.25355 13.8686 6.3152 14.6096 -1.94204 14.2314 0.110159 -19.0842 TIMING: 1241200 CPU: 3873.47, 0.00312559/step Wall: 3873.47, 0.00312559/step, 3.26346 hours remaining, 235.414062 MB of memory in use. ENERGY: 1241200 4062.7613 20609.6940 14397.0236 242.5527 -203195.5470 2822.3365 0.0000 0.0000 52094.8495 -108966.3293 299.3898 -161061.1788 -108616.8474 299.9765 -138.2651 -114.4378 762831.7357 -0.2705 -0.5504 PRESSURE: 1241400 93.0647 210.685 -50.8299 210.685 -64.2239 -98.5477 -50.8299 -98.5475 311.99 GPRESSURE: 1241400 250.7 203.477 -174.889 42.9605 -157.746 -161.88 20.5054 -29.1429 351.448 PRESSAVG: 1241400 14.1151 -45.8447 1.93932 -45.8448 26.1881 -12.8003 1.93933 -12.8003 -1.12117 GPRESSAVG: 1241400 14.0615 -46.0253 2.28231 -45.7408 26.3738 -13.0713 0.337736 -14.8492 -1.6628 TIMING: 1241400 CPU: 3874.09, 0.00311523/step Wall: 3874.09, 0.00311523/step, 3.25247 hours remaining, 235.414062 MB of memory in use. ENERGY: 1241400 3927.3284 20654.8807 14432.1924 250.4082 -202866.8466 2633.9898 0.0000 0.0000 52074.2445 -108893.8026 299.2714 -160968.0471 -108522.5287 299.9496 113.6104 148.1339 762996.9672 13.0607 12.9241 PRESSURE: 1241600 69.7928 -183.771 -122.793 -183.771 -360.584 -19.4623 -122.793 -19.462 364.964 GPRESSURE: 1241600 55.9728 -149.94 -80.4762 -158.168 -243.385 -84.3725 -52.5595 0.26409 335.131 PRESSAVG: 1241600 46.644 -36.1325 -39.214 -36.1325 -67.7354 -19.3659 -39.214 -19.366 -5.28159 GPRESSAVG: 1241600 46.593 -37.0607 -39.8643 -35.5186 -67.9301 -18.0119 -36.2642 -19.771 -5.43625 TIMING: 1241600 CPU: 3874.72, 0.00313294/step Wall: 3874.72, 0.00313294/step, 3.27079 hours remaining, 235.414062 MB of memory in use. ENERGY: 1241600 4003.7979 20564.8384 14359.4313 230.2323 -203473.7687 3031.4083 0.0000 0.0000 52301.2621 -108982.7983 300.5761 -161284.0604 -108625.2033 299.9322 24.7243 49.2396 762981.6442 -8.7910 -8.9244 PRESSURE: 1241800 237.537 -61.7037 -130.623 -61.704 10.8376 -68.5665 -130.624 -68.5673 -263.482 GPRESSURE: 1241800 404.936 62.7586 -103.436 -47.8764 -13.171 -35.03 -50.4079 -76.6583 -331.175 PRESSAVG: 1241800 89.1715 -43.4864 -26.1403 -43.4864 -42.6082 1.01574 -26.1404 1.01578 -11.8789 GPRESSAVG: 1241800 88.8017 -42.4803 -24.8619 -45.7537 -43.045 2.27534 -27.8847 -0.0626648 -11.2622 TIMING: 1241800 CPU: 3875.34, 0.00311363/step Wall: 3875.34, 0.00311363/step, 3.25046 hours remaining, 235.414062 MB of memory in use. ENERGY: 1241800 3998.5548 20602.9390 14410.0641 242.5478 -202992.9204 2784.6152 0.0000 0.0000 52102.6015 -108851.5979 299.4344 -160954.1994 -108496.9670 299.9012 -5.0360 20.1967 763023.7540 11.5615 11.4982 PRESSURE: 1242000 78.904 25.0543 -210.939 25.0544 79.3949 -77.2999 -210.939 -77.3014 310.312 GPRESSURE: 1242000 160.187 -38.5559 -194.506 -70.0958 90.3301 -65.3434 -22.3912 -75.2893 297.662 PRESSAVG: 1242000 -11.3814 -31.6924 0.564119 -31.6924 -1.13087 6.76055 0.564177 6.76055 -5.28041 GPRESSAVG: 1242000 -10.2988 -32.7279 1.149 -30.0666 -1.11719 5.56021 -1.24036 8.68653 -6.38746 TIMING: 1242000 CPU: 3875.96, 0.00312043/step Wall: 3875.96, 0.00312043/step, 3.25739 hours remaining, 235.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1242000 4064.3718 20419.6479 14403.1329 242.7382 -203249.4506 2994.0004 0.0000 0.0000 52356.6974 -108768.8620 300.8947 -161125.5594 -108406.9718 299.4989 156.2035 182.7265 764223.3039 -5.9309 -5.9345 PRESSURE: 1242200 209.843 140.021 -69.1492 140.021 -251.987 27.6533 -69.1493 27.6531 108.478 GPRESSURE: 1242200 202.519 236.912 -57.5468 98.6139 -159.59 43.7019 -104.974 -30.4927 107.954 PRESSAVG: 1242200 12.9217 4.8542 -8.23225 4.85423 -11.9729 37.072 -8.23222 37.0719 9.4582 GPRESSAVG: 1242200 12.6384 5.74415 -9.17692 6.27575 -11.9498 34.3586 -6.8545 38.9327 9.68042 TIMING: 1242200 CPU: 3876.59, 0.00312348/step Wall: 3876.59, 0.00312348/step, 3.26039 hours remaining, 235.414062 MB of memory in use. ENERGY: 1242200 3977.4367 20451.9106 14325.9803 249.9491 -203239.6168 2938.2998 0.0000 0.0000 52174.0268 -109122.0136 299.8448 -161296.0404 -108747.6891 299.8100 22.1116 50.2942 763674.0333 3.4690 3.4564 PRESSURE: 1242400 -313.708 -50.2428 37.3876 -50.2416 -3.91835 -47.2763 37.388 -47.2771 359.29 GPRESSURE: 1242400 -285.283 20.3366 77.2144 -38.52 97.8221 -93.9691 -24.4715 -114.521 343.27 PRESSAVG: 1242400 -9.66691 0.0730251 -11.1919 0.0730415 2.4383 26.4198 -11.192 26.4198 -4.49349 GPRESSAVG: 1242400 -9.70957 -0.850147 -10.6664 -0.266037 2.88202 27.879 -11.3673 24.365 -4.65648 TIMING: 1242400 CPU: 3877.21, 0.00311405/step Wall: 3877.21, 0.00311405/step, 3.25037 hours remaining, 235.414062 MB of memory in use. ENERGY: 1242400 4008.6700 20420.8501 14455.0675 263.9358 -202790.8320 2736.6337 0.0000 0.0000 52089.2395 -108816.4352 299.3576 -160905.6748 -108458.9416 299.4783 13.8878 51.9366 763908.6581 -3.9074 -3.8280 PRESSURE: 1242600 140.819 -191.013 133.043 -191.013 -76.1032 75.3132 133.043 75.3134 234.638 GPRESSURE: 1242600 163.609 -135.624 106.116 -95.3997 -71.264 56.5458 299.049 24.0553 276.547 PRESSAVG: 1242600 5.92499 -43.2651 -31.4272 -43.265 -54.1356 4.9926 -31.4273 4.99267 -7.21591 GPRESSAVG: 1242600 6.67236 -43.8266 -28.018 -41.0299 -54.6627 6.48129 -33.4426 2.97925 -7.1961 TIMING: 1242600 CPU: 3877.83, 0.00311791/step Wall: 3877.83, 0.00311791/step, 3.25423 hours remaining, 235.414062 MB of memory in use. ENERGY: 1242600 4017.8217 20496.6132 14509.7443 255.6735 -203270.8677 2912.5445 0.0000 0.0000 52082.5687 -108995.9017 299.3192 -161078.4705 -108623.1296 299.8427 99.7845 122.9641 763377.5709 -18.4755 -18.3955 PRESSURE: 1242800 107.734 -110.267 -348.91 -110.267 -337.333 -131.573 -348.909 -131.573 119.468 GPRESSURE: 1242800 91.3512 -41.3221 -291.005 -175.697 -240.941 -110.82 -278.132 -227.731 122.979 PRESSAVG: 1242800 24.3167 -48.395 -52.0865 -48.395 -32.933 -57.817 -52.0865 -57.817 -19.0153 GPRESSAVG: 1242800 23.3963 -49.2963 -54.4972 -50.0312 -32.4098 -58.5486 -49.9378 -54.7602 -18.6809 TIMING: 1242800 CPU: 3878.46, 0.00311729/step Wall: 3878.46, 0.0031173/step, 3.25342 hours remaining, 235.414062 MB of memory in use. ENERGY: 1242800 4063.3150 20470.6994 14374.2680 239.1016 -202832.7494 2740.9601 0.0000 0.0000 52046.5854 -108897.8199 299.1124 -160944.4053 -108534.7857 299.7903 -36.7102 -8.8701 765621.7837 -9.2105 -9.2315 PRESSURE: 1243000 156.852 -85.3507 134.74 -85.35 72.8001 236.716 134.741 236.716 29.1061 GPRESSURE: 1243000 279.482 -73.4673 112.312 -139.53 35.3583 270.674 -16.8573 261.842 27.3646 PRESSAVG: 1243000 32.9508 -31.7709 -4.98714 -31.7708 -107.171 2.17281 -4.98709 2.1728 15.7821 GPRESSAVG: 1243000 33.1893 -30.1634 -6.81701 -34.7006 -107.451 1.61327 -4.23497 1.15111 15.3738 TIMING: 1243000 CPU: 3879.08, 0.0031182/step Wall: 3879.08, 0.0031182/step, 3.25419 hours remaining, 235.414062 MB of memory in use. ENERGY: 1243000 3971.2435 20548.8232 14448.2092 246.1909 -203040.4084 2898.4602 0.0000 0.0000 52080.8952 -108846.5862 299.3096 -160927.4814 -108482.5879 300.0228 86.2528 114.0683 763746.4445 -19.4795 -19.6292 PRESSURE: 1243200 -99.1187 49.4619 73.227 49.4616 -95.8113 85.385 73.2268 85.3854 -167.672 GPRESSURE: 1243200 3.46527 26.8466 -104.698 108.32 -203.625 -50.6432 252.389 4.21999 -89.0813 PRESSAVG: 1243200 -38.1724 -65.7133 73.0675 -65.7132 2.38506 -12.6973 73.0675 -12.6973 -22.4448 GPRESSAVG: 1243200 -38.882 -67.4562 73.531 -64.1562 3.41703 -11.7287 72.0064 -14.7068 -23.1388 TIMING: 1243200 CPU: 3879.7, 0.00311413/step Wall: 3879.7, 0.00311413/step, 3.24977 hours remaining, 235.414062 MB of memory in use. ENERGY: 1243200 3931.1569 20638.7961 14456.9845 248.5449 -202831.4900 2464.8062 0.0000 0.0000 52282.6746 -108808.5268 300.4692 -161091.2014 -108438.2639 299.6377 -120.8672 -96.4138 764423.9747 -19.4107 -19.5346 PRESSURE: 1243400 -108.338 20.29 -249.573 20.2901 137.85 -79.2791 -249.573 -79.279 -202.255 GPRESSURE: 1243400 -10.327 13.6418 -278.772 -74.8759 39.1607 -126.805 -237.072 -121.081 -137.914 PRESSAVG: 1243400 -27.7324 1.91095 -15.4296 1.9109 30.8632 47.2119 -15.4295 47.212 9.07204 GPRESSAVG: 1243400 -26.0511 1.92237 -16.4055 2.36878 28.5899 46.6226 -14.3232 47.0473 9.44868 TIMING: 1243400 CPU: 3880.33, 0.00312363/step Wall: 3880.33, 0.00312363/step, 3.25951 hours remaining, 235.414062 MB of memory in use. ENERGY: 1243400 3986.0412 20655.8515 14443.4948 248.2127 -202772.0489 2553.4419 0.0000 0.0000 52232.5783 -108652.4284 300.1813 -160885.0067 -108289.4866 300.7688 -57.5809 -36.3601 763705.3149 4.0676 3.9958 PRESSURE: 1243600 -82.5699 55.3551 -64.279 55.3558 -248.733 132.732 -64.2794 132.733 -356.492 GPRESSURE: 1243600 -119.089 84.8504 -102.288 104.783 -121.451 84.9117 -130.538 45.1393 -359.189 PRESSAVG: 1243600 -19.193 -33.2819 -39.0865 -33.2819 -6.42014 45.7067 -39.0865 45.7067 -1.40121 GPRESSAVG: 1243600 -20.5485 -32.5929 -37.1931 -33.3803 -6.69161 47.1916 -42.2387 47.4148 0.309731 TIMING: 1243600 CPU: 3880.95, 0.00311592/step Wall: 3880.95, 0.00311592/step, 3.25129 hours remaining, 235.414062 MB of memory in use. ENERGY: 1243600 3949.7552 20569.8668 14424.1804 250.0802 -203046.6105 2682.1067 0.0000 0.0000 52320.9334 -108849.6879 300.6891 -161170.6213 -108486.3690 300.1233 -229.2650 -199.9099 763294.9932 -9.0048 -8.9768 PRESSURE: 1243800 -146.511 -21.6464 52.2332 -21.6458 -103.766 -145.356 52.2336 -145.356 -82.6337 GPRESSURE: 1243800 -166.3 -120.516 54.9392 -72.8962 69.7817 -238.241 45.121 -174.181 -134.33 PRESSAVG: 1243800 11.4086 -20.4035 -33.6203 -20.4035 -8.78579 25.5284 -33.6203 25.5285 20.32 GPRESSAVG: 1243800 11.1571 -20.7841 -34.6795 -20.0748 -7.43575 24.0368 -31.8869 23.5998 19.4018 TIMING: 1243800 CPU: 3881.58, 0.00315268/step Wall: 3881.58, 0.00315268/step, 3.28947 hours remaining, 235.414062 MB of memory in use. ENERGY: 1243800 4011.3487 20468.7815 14432.9371 254.0938 -203053.5803 2782.7711 0.0000 0.0000 52034.8393 -109068.8089 299.0449 -161103.6482 -108704.7981 299.3614 -110.9702 -76.9493 761456.4737 7.6476 7.7077 PRESSURE: 1244000 179.908 -43.0556 -261.033 -43.0554 181.169 -87.7209 -261.032 -87.7224 -14.6543 GPRESSURE: 1244000 192.646 -16.4285 -211.396 -76.1805 176.218 -26.2756 -175.765 -114.26 83.4273 PRESSAVG: 1244000 -21.6375 1.008 -15.6673 1.00803 45.2811 -42.8046 -15.6672 -42.8045 1.70074 GPRESSAVG: 1244000 -22.0827 2.56286 -14.9343 -0.105753 45.0874 -45.0604 -14.8911 -39.3255 2.10291 TIMING: 1244000 CPU: 3882.21, 0.00315238/step Wall: 3882.21, 0.00315238/step, 3.28898 hours remaining, 235.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1244000 3972.2767 20606.0567 14410.5240 249.7332 -202993.0172 2716.1369 0.0000 0.0000 52150.3136 -108887.9760 299.7086 -161038.2896 -108534.4642 299.7086 115.4741 150.7638 760304.9650 8.4481 8.3692 PRESSURE: 1244200 279.659 83.2044 219.475 83.2043 -47.6656 193.339 219.474 193.338 -132.042 GPRESSURE: 1244200 257.311 21.5802 181.337 104.516 -9.58851 200.721 225.569 173.76 -67.5564 PRESSAVG: 1244200 18.8371 7.00057 -7.75118 7.00052 -64.2691 6.28956 -7.75127 6.28954 12.5994 GPRESSAVG: 1244200 19.6139 5.24873 -7.91016 8.33724 -64.4807 8.1988 -6.79675 4.307 11.8775 TIMING: 1244200 CPU: 3882.84, 0.00314679/step Wall: 3882.84, 0.00314679/step, 3.28298 hours remaining, 235.414062 MB of memory in use. ENERGY: 1244200 3990.6587 20640.8926 14374.3341 262.7960 -203488.2012 3018.3909 0.0000 0.0000 52290.5568 -108910.5721 300.5145 -161201.1289 -108545.7760 299.8190 33.3169 60.0553 761391.1611 -10.9442 -10.9964 LDB: ============= START OF LOAD BALANCING ============== 3895.32 LDB: ============== END OF LOAD BALANCING =============== 3895.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3895.32 LDB: ============= START OF LOAD BALANCING ============== 3895.64 LDB: Largest compute 7052 load 0.030044 is 15.4% of average load 0.194988 LDB: Average compute 0.004378 is 2.2% of average load 0.194988 LDB: TIME 3895.64 LOAD: AVG 0.194988 MAX 0.212671 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.98 MB LDB: TIME 3895.64 LOAD: AVG 0.194988 MAX 0.212671 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.047 MB LDB: TIME 3895.64 LOAD: AVG 0.194988 MAX 0.212671 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.047 MB LDB: ============== END OF LOAD BALANCING =============== 3895.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 3895.65 Info: useSync: 0 useProxySync: 0 PRESSURE: 1244400 -229.78 -34.3732 -36.9975 -34.3733 -61.6597 -49.7041 -36.9975 -49.7055 8.432 GPRESSURE: 1244400 -133.853 20.5875 -131.019 -86.5157 -11.9465 -44.5105 -139.873 -56.6931 -34.6705 PRESSAVG: 1244400 -11.9642 -28.7362 20.7155 -28.7362 -5.42581 -16.3969 20.7154 -16.3969 10.093 GPRESSAVG: 1244400 -13.0923 -28.0313 20.0192 -30.7132 -4.21395 -16.4779 21.1705 -15.6261 10.2546 TIMING: 1244400 CPU: 3883.48, 0.00320773/step Wall: 3883.48, 0.00320773/step, 3.34638 hours remaining, 233.656250 MB of memory in use. ENERGY: 1244400 4021.1935 20586.7176 14452.6482 255.4767 -202880.8771 2459.6668 0.0000 0.0000 52079.7430 -109025.4312 299.3030 -161105.1742 -108667.6012 299.6614 -94.3359 -60.1567 761180.2160 -2.4323 -2.3506 PRESSURE: 1244600 63.4626 54.5037 -46.2798 54.5036 -106.832 58.284 -46.2806 58.2839 -263.242 GPRESSURE: 1244600 69.7804 205.512 18.9533 40.7748 -126.296 68.9618 -42.2408 -39.4078 -156.944 PRESSAVG: 1244600 26.0696 -18.5026 39.0907 -18.5025 18.156 -9.01825 39.0907 -9.01827 28.2393 GPRESSAVG: 1244600 26.2757 -19.1338 39.0451 -16.2792 18.1231 -9.00328 37.0325 -9.5575 28.3167 TIMING: 1244600 CPU: 3884.11, 0.00312868/step Wall: 3884.11, 0.00312868/step, 3.26373 hours remaining, 233.656250 MB of memory in use. ENERGY: 1244600 4013.7585 20560.2713 14427.2512 247.7837 -202624.8322 2323.8327 0.0000 0.0000 51791.5819 -109260.3528 297.6469 -161051.9347 -108899.1914 298.8654 -102.2038 -71.1534 761628.1512 24.1550 24.2385 PRESSURE: 1244800 -286.445 -100.287 164.887 -100.287 111.71 195.68 164.888 195.68 62.5162 GPRESSURE: 1244800 -206.33 -52.6023 179.145 -115.914 79.1657 126.622 202.258 73.0013 81.9401 PRESSAVG: 1244800 -26.6109 -24.1502 10.6973 -24.15 28.0076 -8.92182 10.6974 -8.92181 16.4595 GPRESSAVG: 1244800 -25.9841 -21.6287 12.5764 -25.8239 26.8596 -8.76613 10.7669 -8.28317 17.4723 TIMING: 1244800 CPU: 3884.74, 0.00313453/step Wall: 3884.74, 0.00313453/step, 3.26967 hours remaining, 233.656250 MB of memory in use. ENERGY: 1244800 3984.5285 20408.8080 14398.0857 254.3130 -202986.6330 2707.0319 0.0000 0.0000 52001.1390 -109232.7269 298.8513 -161233.8659 -108863.7499 298.8779 -37.4063 -15.0746 761476.9964 5.9521 6.1160 PRESSURE: 1245000 54.783 -145.354 -30.7266 -145.354 -300.91 -143.059 -30.7256 -143.06 -39.9595 GPRESSURE: 1245000 109.248 -122.674 -69.6245 -145.286 -281.593 -154.855 83.077 -117.306 -16.3277 PRESSAVG: 1245000 43.8498 -25.4941 43.9465 -25.4942 -23.0421 2.60601 43.9465 2.60598 4.69416 GPRESSAVG: 1245000 44.1972 -25.776 40.9652 -26.2322 -22.1496 0.419852 44.5406 0.938577 3.62147 TIMING: 1245000 CPU: 3885.37, 0.00314444/step Wall: 3885.37, 0.00314444/step, 3.27982 hours remaining, 233.656250 MB of memory in use. ENERGY: 1245000 3897.0849 20603.0209 14385.1042 256.3778 -202828.0309 2647.6952 0.0000 0.0000 51925.9308 -109112.8171 298.4190 -161038.7478 -108748.0583 298.9912 -95.3621 -62.8908 763227.6592 8.5006 8.5564 PRESSURE: 1245200 280.314 -138.773 127.43 -138.773 48.675 -187.728 127.43 -187.728 320.641 GPRESSURE: 1245200 366.431 -167.934 68.0458 -55.9811 98.8794 -185.469 83.4727 -98.9025 257.11 PRESSAVG: 1245200 72.151 -69.9579 -30.3581 -69.9578 -43.9484 -16.0242 -30.358 -16.024 -0.909064 GPRESSAVG: 1245200 71.5319 -72.1324 -29.8565 -68.061 -44.1739 -14.4958 -32.5505 -16.8912 -0.153244 TIMING: 1245200 CPU: 3886, 0.00315156/step Wall: 3886, 0.00315156/step, 3.28708 hours remaining, 233.656250 MB of memory in use. ENERGY: 1245200 3987.9034 20579.8506 14441.1641 248.4730 -203162.5017 2950.8527 0.0000 0.0000 52008.7044 -108945.5535 298.8947 -160954.2578 -108588.6052 299.5390 216.5432 240.8068 764065.3094 9.0978 9.0683 PRESSURE: 1245400 -221.495 -2.20993 -120.29 -2.21048 -35.5311 97.2238 -120.291 97.2236 -183.856 GPRESSURE: 1245400 -99.4549 -68.6924 -39.3435 -23.0771 -47.7544 73.2245 -196.981 247.157 -203.386 PRESSAVG: 1245400 -41.1838 -70.8405 25.0913 -70.8404 31.3939 -57.4443 25.0913 -57.4443 -25.1998 GPRESSAVG: 1245400 -39.8049 -69.7461 27.1697 -72.5848 31.2133 -56.5687 26.4719 -55.1333 -26.6552 TIMING: 1245400 CPU: 3886.62, 0.00312175/step Wall: 3886.62, 0.00312175/step, 3.25581 hours remaining, 233.656250 MB of memory in use. ENERGY: 1245400 3969.9118 20678.2021 14387.1376 240.0476 -202588.5010 2522.7196 0.0000 0.0000 51903.3433 -108887.1390 298.2892 -160790.4823 -108516.6262 300.0153 -146.9606 -116.8653 762966.5677 -11.6632 -11.7489 PRESSURE: 1245600 124.703 -120.84 358.265 -120.84 189.274 20.0053 358.266 20.0066 -212.854 GPRESSURE: 1245600 97.9969 -52.2047 342.453 -94.8218 221.897 32.0929 327.578 -70.1999 -129.59 PRESSAVG: 1245600 -8.27052 2.35359 2.03446 2.35358 0.114504 -17.7987 2.03445 -17.7988 29.9025 GPRESSAVG: 1245600 -7.6279 1.66429 0.737625 2.4357 -1.12563 -19.3476 1.10502 -17.9296 30.5969 TIMING: 1245600 CPU: 3887.24, 0.00312282/step Wall: 3887.24, 0.00312282/step, 3.25675 hours remaining, 233.656250 MB of memory in use. ENERGY: 1245600 4007.7035 20570.8584 14388.0231 257.2323 -202937.3146 2667.4104 0.0000 0.0000 51953.0191 -109093.0679 298.5747 -161046.0870 -108739.6238 299.4081 33.7078 63.4346 761866.4253 7.2488 7.2811 PRESSURE: 1245800 175.321 -255.036 -401.026 -255.035 112.033 31.537 -401.027 31.5364 -2.44641 GPRESSURE: 1245800 264.365 -181.343 -405.125 -243.932 88.5308 10.2557 -253.27 -4.17732 1.79556 PRESSAVG: 1245800 26.1337 -24.8064 -30.5815 -24.8064 23.625 23.4838 -30.5815 23.4838 10.4541 GPRESSAVG: 1245800 25.1385 -26.3922 -28.8685 -24.2181 24.533 25.2975 -30.2537 21.9912 10.5618 TIMING: 1245800 CPU: 3887.87, 0.00313806/step Wall: 3887.87, 0.00313806/step, 3.27247 hours remaining, 233.656250 MB of memory in use. ENERGY: 1245800 3978.5865 20431.0932 14472.5502 242.7912 -203003.8730 2779.6396 0.0000 0.0000 51936.4280 -109162.7842 298.4794 -161099.2122 -108804.2538 299.3443 94.9692 118.2304 762614.9684 20.0709 20.0778 PRESSURE: 1246000 -337.566 -66.3725 23.9928 -66.3726 -35.9539 -45.1527 23.9929 -45.1526 -254.121 GPRESSURE: 1246000 -296.815 -37.7782 -24.8087 0.908692 -119.927 -7.40456 19.1143 -94.4948 -125.186 PRESSAVG: 1246000 27.7749 -49.2024 -24.0684 -49.2024 -29.3195 -4.23227 -24.0684 -4.23215 14.5431 GPRESSAVG: 1246000 28.0064 -48.0084 -25.4032 -49.0236 -29.5921 -5.3391 -21.6597 -1.42075 14.772 TIMING: 1246000 CPU: 3888.5, 0.00314468/step Wall: 3888.5, 0.00314469/step, 3.27921 hours remaining, 233.656250 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: 1246000 3917.5096 20412.6581 14400.3222 235.0908 -202879.5851 2523.4172 0.0000 0.0000 52134.8636 -109255.7235 299.6198 -161390.5871 -108895.6536 298.7570 -209.2135 -180.6424 763888.1143 4.3328 4.3954 PRESSURE: 1246200 105.752 30.1815 -80.284 30.1822 -222.463 49.1329 -80.2843 49.1313 160.739 GPRESSURE: 1246200 199.29 7.32333 -78.6608 115.478 -214.371 34.3612 -101.304 130.588 149.331 PRESSAVG: 1246200 -37.8826 -5.09075 -31.5769 -5.09074 8.40628 17.8106 -31.5769 17.8105 -20.9203 GPRESSAVG: 1246200 -37.5 -6.62059 -33.2857 -4.32486 6.67902 17.7671 -31.6282 16.775 -20.4919 TIMING: 1246200 CPU: 3889.13, 0.00312541/step Wall: 3889.13, 0.00312541/step, 3.25894 hours remaining, 233.656250 MB of memory in use. ENERGY: 1246200 3911.9231 20474.9197 14407.3060 259.9070 -203607.1020 3033.6681 0.0000 0.0000 52155.3638 -109364.0142 299.7376 -161519.3781 -108988.9530 298.5337 14.6762 44.7500 762712.0658 -16.7989 -17.1043 PRESSURE: 1246400 -168.504 -62.1506 89.0713 -62.1491 -353.39 248.973 89.0716 248.972 68.5283 GPRESSURE: 1246400 -115.412 100.619 -33.9156 -80.4029 -359.427 257.013 23.9427 218.78 111.25 PRESSAVG: 1246400 30.8162 10.8312 -28.52 10.8313 -6.29936 12.3775 -28.52 12.3775 7.77022 GPRESSAVG: 1246400 29.8441 15.0646 -27.6785 8.278 -5.16171 10.9211 -29.1831 13.5249 6.8027 TIMING: 1246400 CPU: 3889.75, 0.00313652/step Wall: 3889.75, 0.00313652/step, 3.27034 hours remaining, 233.656250 MB of memory in use. ENERGY: 1246400 3975.9453 20601.1831 14358.8168 233.3536 -203201.0533 2883.2737 0.0000 0.0000 52183.5323 -108964.9486 299.8995 -161148.4809 -108590.1143 299.0930 -151.1217 -121.1965 765057.0821 10.7624 10.4950 PRESSURE: 1246600 533.171 169.222 -91.2526 169.222 -52.9187 222.617 -91.2535 222.618 -30.3197 GPRESSURE: 1246600 548.168 107.636 -81.4484 180.197 -34.2729 219.168 -95.688 39.2161 38.4385 PRESSAVG: 1246600 -44.9949 -40.4701 2.31385 -40.47 53.3671 54.5516 2.31388 54.5517 -25.3861 GPRESSAVG: 1246600 -45.3028 -45.3025 3.72406 -38.0801 53.5168 55.4028 3.56198 51.5189 -25.1723 TIMING: 1246600 CPU: 3890.38, 0.00314136/step Wall: 3890.38, 0.00314136/step, 3.27521 hours remaining, 233.656250 MB of memory in use. ENERGY: 1246600 3956.2278 20524.9942 14392.4177 255.3908 -203489.1787 3008.2122 0.0000 0.0000 52119.5127 -109232.4234 299.5316 -161351.9361 -108879.7067 299.1183 149.9775 184.1113 764059.0197 -5.6713 -5.6528 PRESSURE: 1246800 191.897 -67.5845 230.227 -67.5842 -58.3271 8.3431 230.227 8.34336 176.565 GPRESSURE: 1246800 255.731 -42.7554 234.594 -96.7339 -6.48166 -26.6782 121.899 22.2214 132.056 PRESSAVG: 1246800 -10.7698 -24.0782 -38.6022 -24.0782 -8.54609 34.3622 -38.6021 34.3623 9.86873 GPRESSAVG: 1246800 -9.87035 -22.3593 -38.4328 -23.436 -8.77983 35.6463 -41.2504 33.6586 9.12126 TIMING: 1246800 CPU: 3891.01, 0.00312472/step Wall: 3891.01, 0.00312472/step, 3.2577 hours remaining, 233.656250 MB of memory in use. ENERGY: 1246800 4077.1339 20582.2836 14394.9547 262.5993 -203697.1559 3165.0846 0.0000 0.0000 52207.5744 -109007.5256 300.0376 -161215.1000 -108654.2981 298.7545 103.3784 127.1017 763737.8444 -3.1490 -3.1763 PRESSURE: 1247000 -31.7009 -26.6793 -72.8774 -26.679 -77.345 163.572 -72.8773 163.573 -358.871 GPRESSURE: 1247000 -60.2641 -36.4492 -155.805 -19.2077 -33.7824 178.989 -66.6791 207.062 -286.158 PRESSAVG: 1247000 20.818 -45.5308 3.89181 -45.5307 -18.9175 -1.09365 3.89188 -1.09371 -6.10526 GPRESSAVG: 1247000 19.7366 -47.1865 1.56702 -48.177 -18.3683 -1.93372 4.2987 0.269467 -5.75952 TIMING: 1247000 CPU: 3891.63, 0.0031397/step Wall: 3891.63, 0.0031397/step, 3.27314 hours remaining, 233.656250 MB of memory in use. ENERGY: 1247000 4072.7052 20494.7551 14375.3987 232.2458 -202852.3136 2742.3619 0.0000 0.0000 52110.5178 -108824.3291 299.4799 -160934.8469 -108465.3030 299.5736 -155.9723 -126.7349 765703.6690 -1.4016 -1.4637 PRESSURE: 1247200 43.619 177.319 57.8553 177.319 183.913 -120.468 57.8559 -120.468 140.827 GPRESSURE: 1247200 89.6391 133.458 21.3683 222.803 198.148 -6.7939 98.7683 -114.663 182.839 PRESSAVG: 1247200 -38.1521 -76.4631 23.2402 -76.4631 -20.4176 -48.6659 23.2401 -48.6658 -10.0321 GPRESSAVG: 1247200 -37.3493 -75.6616 24.6979 -76.6564 -21.3281 -48.0339 23.011 -49.5271 -9.44739 TIMING: 1247200 CPU: 3892.26, 0.00313463/step Wall: 3892.26, 0.00313463/step, 3.26768 hours remaining, 233.656250 MB of memory in use. ENERGY: 1247200 3864.3065 20560.9288 14372.6769 232.6631 -203102.8544 3184.0622 0.0000 0.0000 52212.8474 -108675.3694 300.0680 -160888.2168 -108306.0481 299.5421 122.7862 156.8754 765751.2886 -22.8673 -22.7083 PRESSURE: 1247400 185.319 -137.184 -91.8137 -137.184 370.482 -27.8574 -91.8145 -27.8573 -172.639 GPRESSURE: 1247400 84.585 -18.8655 -120.45 -190.734 444.439 -7.13545 -215.086 -27.0688 -69.6503 PRESSAVG: 1247400 -28.2145 -36.3421 -47.0603 -36.3421 22.5791 2.23231 -47.0602 2.23227 3.24945 GPRESSAVG: 1247400 -27.2421 -36.046 -45.8941 -35.9061 21.9652 2.21339 -48.7942 2.77752 2.66736 TIMING: 1247400 CPU: 3892.89, 0.00313515/step Wall: 3892.89, 0.00313515/step, 3.26805 hours remaining, 233.656250 MB of memory in use. ENERGY: 1247400 4012.5439 20685.4773 14294.8451 241.0372 -202846.2516 2995.1792 0.0000 0.0000 51977.9354 -108639.2334 298.7179 -160617.1688 -108288.5783 300.0417 127.7210 153.1245 766548.0025 -0.7953 -0.8699 PRESSURE: 1247600 354.308 -204.21 -19.2306 -204.21 -19.1511 -2.41671 -19.2299 -2.41687 673.885 GPRESSURE: 1247600 352.142 -216.324 18.0736 -276.023 113.146 8.16487 -44.5266 -30.0784 629.307 PRESSAVG: 1247600 -13.9422 -75.3623 -66.4355 -75.3623 28.0151 8.33089 -66.4355 8.33087 15.5582 GPRESSAVG: 1247600 -15.4171 -76.4042 -68.0936 -74.3104 29.377 7.40741 -62.8491 7.8138 15.4696 TIMING: 1247600 CPU: 3893.52, 0.00313165/step Wall: 3893.52, 0.00313165/step, 3.26423 hours remaining, 233.656250 MB of memory in use. ENERGY: 1247600 3966.2742 20536.7407 14403.8050 249.4767 -203279.8205 3139.6649 0.0000 0.0000 52219.3019 -108764.5571 300.1050 -160983.8590 -108408.6855 299.9958 336.3473 364.8651 764092.0869 9.8770 9.8099 PRESSURE: 1247800 91.7864 -216.304 -43.6116 -216.304 1.64788 82.5065 -43.612 82.5071 -7.3752 GPRESSURE: 1247800 184.55 -270.182 2.44781 -287.408 -44.6942 68.159 -27.3847 -7.68427 37.9824 PRESSAVG: 1247800 -22.9689 7.86693 16.0895 7.86689 -4.96871 14.6552 16.0895 14.6552 -2.15031 GPRESSAVG: 1247800 -22.1572 10.6911 16.0175 6.18268 -6.69444 14.2488 16.0033 13.9435 -2.04067 TIMING: 1247800 CPU: 3894.14, 0.00312455/step Wall: 3894.14, 0.00312455/step, 3.25665 hours remaining, 233.656250 MB of memory in use. ENERGY: 1247800 4041.5116 20423.2548 14378.9421 266.8110 -202998.3357 3052.9957 0.0000 0.0000 51980.9544 -108853.8662 298.7353 -160834.8206 -108486.9008 300.1583 28.6864 59.2795 765587.5025 -10.0293 -10.2974 PRESSURE: 1248000 -257.063 4.62134 -21.4577 4.62066 -135.612 -75.429 -21.4581 -75.4292 -3.69085 GPRESSURE: 1248000 -136.565 -33.3734 -75.3202 -4.01865 -78.3952 -52.5861 8.06826 -93.0014 -68.7319 PRESSAVG: 1248000 31.9723 4.99812 -15.6142 4.99811 -36.5625 36.1303 -15.6142 36.1303 11.1022 GPRESSAVG: 1248000 31.1209 3.1632 -14.2232 5.21291 -35.5706 37.2592 -16.0142 37.5805 10.614 TIMING: 1248000 CPU: 3894.76, 0.00311264/step Wall: 3894.76, 0.00311264/step, 3.24406 hours remaining, 233.656250 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: 1248000 4047.4069 20417.7633 14453.3649 244.0908 -202701.2247 2519.3913 0.0000 0.0000 52120.2759 -108898.9317 299.5359 -161019.2075 -108536.9084 299.6080 -132.1221 -94.5640 763167.6318 2.1707 2.0548 PRESSURE: 1248200 -45.3077 108.979 255.972 108.979 -22.0665 -22.1728 255.972 -22.1745 143.924 GPRESSURE: 1248200 101.636 69.7855 161.433 155.73 -127.007 -19.7147 200.055 46.9674 177.069 PRESSAVG: 1248200 25.4498 21.8281 -19.042 21.8281 1.77007 27.2127 -19.042 27.2128 16.8286 GPRESSAVG: 1248200 27.5105 21.483 -19.0502 21.8372 -0.77595 26.8705 -20.5161 28.3848 17.4814 TIMING: 1248200 CPU: 3895.38, 0.00310899/step Wall: 3895.38, 0.00310899/step, 3.24008 hours remaining, 233.656250 MB of memory in use. ENERGY: 1248200 4010.3656 20502.0120 14411.9596 249.0707 -202712.4927 2604.7492 0.0000 0.0000 52056.2145 -108878.1211 299.1678 -160934.3357 -108527.9141 299.6972 25.5165 50.5662 762401.4709 14.6828 14.7387 LDB: ============= START OF LOAD BALANCING ============== 3907.86 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3907.86 LDB: =============== DONE WITH MIGRATION ================ 3907.86 LDB: ============= START OF LOAD BALANCING ============== 3908.18 LDB: Largest compute 7052 load 0.030238 is 15.5% of average load 0.195079 LDB: Average compute 0.004390 is 2.3% of average load 0.195079 LDB: TIME 3908.18 LOAD: AVG 0.195079 MAX 0.211048 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.941 MB LDB: TIME 3908.18 LOAD: AVG 0.195079 MAX 0.211048 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.941 MB LDB: TIME 3908.18 LOAD: AVG 0.195079 MAX 0.211048 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.941 MB LDB: ============== END OF LOAD BALANCING =============== 3908.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3908.19 PRESSURE: 1248400 -6.43487 -150.05 -41.5463 -150.051 -240.636 -164.347 -41.5471 -164.346 6.26263 GPRESSURE: 1248400 37.9926 -46.8886 -54.0093 -111.215 -235.245 -215.305 71.9067 -109.116 44.8253 PRESSAVG: 1248400 21.4669 -14.2954 -68.4531 -14.2953 2.50372 0.301198 -68.4531 0.301268 -9.82519 GPRESSAVG: 1248400 20.2703 -12.5962 -68.1208 -13.5893 3.07289 -0.4857 -65.8494 -0.656519 -10.0405 TIMING: 1248400 CPU: 3896.02, 0.00319215/step Wall: 3896.02, 0.00319215/step, 3.32657 hours remaining, 234.820312 MB of memory in use. ENERGY: 1248400 4000.0227 20542.8507 14370.5095 238.4238 -202939.0643 2745.8987 0.0000 0.0000 52249.4344 -108791.9245 300.2782 -161041.3588 -108426.2012 299.9220 -80.2694 -50.8089 763160.0721 4.7151 4.4342 PRESSURE: 1248600 60.1813 -45.6575 -24.7939 -45.6572 6.07738 157.141 -24.7947 157.141 -392.456 GPRESSURE: 1248600 91.6475 -13.1527 -51.9274 -11.8047 -7.58044 201.324 -64.9557 149.162 -327.746 PRESSAVG: 1248600 -23.9276 -26.5981 -62.8926 -26.5981 8.06684 28.8034 -62.8925 28.8034 -8.08238 GPRESSAVG: 1248600 -24.6444 -29.5673 -62.3446 -26.7673 8.7787 28.9531 -66.1034 28.9267 -8.33683 TIMING: 1248600 CPU: 3896.65, 0.0031193/step Wall: 3896.65, 0.00311931/step, 3.25049 hours remaining, 234.886719 MB of memory in use. ENERGY: 1248600 3963.1164 20418.2597 14362.3208 262.7000 -203238.9161 2953.4556 0.0000 0.0000 52208.0431 -109071.0204 300.0403 -161279.0635 -108699.7498 299.8615 -108.7323 -81.2265 763700.9701 -7.9810 -8.0675 PRESSURE: 1248800 -180.136 -2.71112 67.6956 -2.71092 107.273 107.034 67.6947 107.033 -404.14 GPRESSURE: 1248800 -55.3533 -1.18164 38.3774 45.4317 36.9531 60.0758 -23.1827 170.028 -383.385 PRESSAVG: 1248800 0.325975 -73.622 -16.4593 -73.622 14.8954 0.730488 -16.4593 0.730533 1.55849 GPRESSAVG: 1248800 0.309187 -71.727 -17.9032 -72.8052 15.5085 0.766033 -15.3893 1.27808 1.21114 TIMING: 1248800 CPU: 3897.27, 0.003113/step Wall: 3897.27, 0.003113/step, 3.24374 hours remaining, 234.886719 MB of memory in use. ENERGY: 1248800 3953.8672 20644.6490 14321.2687 252.9849 -202769.4335 2534.2424 0.0000 0.0000 52054.0825 -109008.3388 299.1555 -161062.4213 -108644.4508 299.7438 -159.0009 -133.9284 765247.2060 5.5933 5.6763 PRESSURE: 1249000 24.0633 89.9548 -255.61 89.9548 -58.1907 -90.3952 -255.609 -90.395 -5.87445 GPRESSURE: 1249000 72.423 77.2124 -330.264 34.4534 -70.3598 -126.468 -68.5108 -12.5121 52.7442 PRESSAVG: 1249000 20.3022 -27.3596 -15.2464 -27.3596 -15.2955 47.1502 -15.2463 47.1502 -7.51355 GPRESSAVG: 1249000 20.5495 -28.5852 -14.9227 -27.2321 -15.5696 48.008 -14.4308 46.2885 -7.18557 TIMING: 1249000 CPU: 3897.9, 0.00313597/step Wall: 3897.9, 0.00313597/step, 3.26751 hours remaining, 234.886719 MB of memory in use. ENERGY: 1249000 3977.6851 20589.6609 14326.1407 250.8062 -203374.9007 2877.7737 0.0000 0.0000 52295.8278 -109057.0064 300.5448 -161352.8342 -108687.7024 299.4065 -13.3339 18.2691 762531.0175 -0.8356 -0.7352 PRESSURE: 1249200 -235.353 -79.082 152.809 -79.0817 -45.0099 -127.481 152.809 -127.48 173.671 GPRESSURE: 1249200 -234.425 20.3277 224.584 -116.488 -50.7118 -215.309 -71.1193 -136.814 258.813 PRESSAVG: 1249200 -34.4417 6.58911 -18.8846 6.58912 32.5039 -23.2028 -18.8845 -23.2027 -14.8672 GPRESSAVG: 1249200 -34.4336 7.64727 -18.2688 5.91962 31.739 -24.5305 -19.1859 -21.9282 -13.829 TIMING: 1249200 CPU: 3898.52, 0.00312481/step Wall: 3898.52, 0.00312481/step, 3.25571 hours remaining, 234.886719 MB of memory in use. ENERGY: 1249200 3905.4413 20542.0796 14387.5309 262.8668 -202846.2209 2564.8805 0.0000 0.0000 52183.5364 -108999.8855 299.8995 -161183.4219 -108640.8791 299.2086 -35.5639 -8.7747 762148.3612 -5.6017 -5.5078 PRESSURE: 1249400 346.776 93.6562 108.914 93.6553 -75.3574 -32.1222 108.914 -32.122 654.878 GPRESSURE: 1249400 351.335 14.0834 127.339 -12.9044 51.5533 41.6355 126.34 35.9439 594.957 PRESSAVG: 1249400 44.3002 -29.3857 57.7805 -29.3858 -17.7855 4.64353 57.7805 4.6435 -18.0661 GPRESSAVG: 1249400 43.905 -29.0464 57.2106 -31.6459 -16.6664 4.63871 56.0094 2.64812 -19.0287 TIMING: 1249400 CPU: 3899.15, 0.00311851/step Wall: 3899.15, 0.00311851/step, 3.24896 hours remaining, 234.886719 MB of memory in use. ENERGY: 1249400 3914.5848 20365.6299 14406.6581 245.7055 -203478.2120 3095.9976 0.0000 0.0000 52255.8005 -109193.8357 300.3148 -161449.6362 -108821.7647 299.5907 308.7657 332.6151 763062.5036 2.8162 2.7366 PRESSURE: 1249600 -188.805 29.1039 -161.814 29.1043 -383.155 215.543 -161.813 215.542 -79.6187 GPRESSURE: 1249600 -230.639 33.6033 -182.303 -25.8889 -272.607 294.327 -206.594 81.2187 -67.4056 PRESSAVG: 1249600 1.77511 -28.9351 4.2809 -28.9351 -32.4028 -54.508 4.2809 -54.5081 -24.1277 GPRESSAVG: 1249600 0.986396 -28.4707 4.41155 -27.3992 -32.0255 -52.8287 3.61595 -53.8008 -23.3995 TIMING: 1249600 CPU: 3899.77, 0.0031038/step Wall: 3899.77, 0.0031038/step, 3.23346 hours remaining, 234.886719 MB of memory in use. ENERGY: 1249600 4070.4081 20576.8119 14365.0405 234.0199 -202892.6512 2549.1676 0.0000 0.0000 52037.7518 -109059.4513 299.0617 -161097.2031 -108698.8355 299.0024 -217.1928 -190.2172 763782.6708 -18.2518 -18.1462 PRESSURE: 1249800 -210.103 5.87678 61.2598 5.87789 120.241 17.7871 61.2597 17.7869 271.799 GPRESSURE: 1249800 -172.001 -74.9172 202.015 19.9029 132.22 -2.44545 25.3436 39.7556 311.612 PRESSAVG: 1249800 -7.29369 -9.34975 11.5077 -9.3497 43.9896 58.6715 11.5077 58.6715 27.4285 GPRESSAVG: 1249800 -5.96776 -7.97669 10.4782 -9.76034 42.3077 59.4012 13.0111 57.4296 28.0306 TIMING: 1249800 CPU: 3900.39, 0.00311989/step Wall: 3900.39, 0.00311989/step, 3.25006 hours remaining, 234.886719 MB of memory in use. ENERGY: 1249800 3968.1263 20381.7087 14392.7089 255.5211 -203084.1924 2924.8276 0.0000 0.0000 52133.9588 -109027.3410 299.6146 -161161.2998 -108657.3774 299.7869 60.6460 90.6101 763687.7406 21.3748 21.4568 PRESSURE: 1250000 136.605 142.248 47.1769 142.247 -307.567 152.927 47.177 152.927 214.892 GPRESSURE: 1250000 153.523 62.242 63.6235 87.8168 -158.804 37.7109 87.3434 228.52 152.675 PRESSAVG: 1250000 -52.5119 -15.706 -17.5458 -15.7061 51.4057 17.57 -17.5458 17.57 8.23137 GPRESSAVG: 1250000 -53.4719 -17.6521 -16.0943 -16.1498 52.2372 17.406 -18.556 20.1959 7.74128 TIMING: 1250000 CPU: 3901.02, 0.00313484/step Wall: 3901.02, 0.00313484/step, 3.26546 hours remaining, 234.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1250000 3924.2802 20300.1978 14444.4830 250.0197 -202931.5449 2678.8311 0.0000 0.0000 52164.6745 -109169.0584 299.7911 -161333.7330 -108804.2969 299.1592 14.6436 49.1316 762796.8557 2.3750 2.1688 PRESSURE: 1250200 -42.1134 -63.465 48.7083 -63.465 86.4591 194.092 48.708 194.092 -306.517 GPRESSURE: 1250200 -69.9586 -23.9117 43.7433 -99.2714 167.958 266.514 140.4 -16.5478 -262.44 PRESSAVG: 1250200 -65.8696 -47.1105 -15.3302 -47.1105 55.1645 9.04756 -15.3302 9.04753 11.6108 GPRESSAVG: 1250200 -66.4265 -46.2746 -15.1606 -46.2865 56.1644 8.20469 -16.3018 7.5016 10.3468 TIMING: 1250200 CPU: 3901.64, 0.00312145/step Wall: 3901.64, 0.00312145/step, 3.25134 hours remaining, 234.886719 MB of memory in use. ENERGY: 1250200 4018.8431 20675.6710 14451.9977 272.9409 -203409.0697 2857.9932 0.0000 0.0000 51929.0412 -109202.5825 298.4369 -161131.6237 -108848.2349 299.2104 -87.3903 -54.8137 764629.6284 0.3019 0.0282 PRESSURE: 1250400 69.8478 -214.057 -44.2641 -214.056 258.547 -14.854 -44.2639 -14.854 138.927 GPRESSURE: 1250400 124.459 -73.8711 -111.829 -137.356 253.186 -54.0895 18.1952 -34.0352 181.696 PRESSAVG: 1250400 -37.4689 -17.0444 -30.3507 -17.0443 34.5621 9.73889 -30.3508 9.73889 9.91446 GPRESSAVG: 1250400 -34.8126 -16.9877 -31.5626 -17.6956 32.0356 9.96139 -28.6569 7.8983 10.1702 TIMING: 1250400 CPU: 3902.26, 0.00311124/step Wall: 3902.26, 0.00311124/step, 3.24053 hours remaining, 234.886719 MB of memory in use. ENERGY: 1250400 4013.1530 20569.3054 14411.6665 249.0533 -203221.3251 2991.9623 0.0000 0.0000 52066.8528 -108919.3317 299.2289 -160986.1846 -108561.8464 299.5707 155.7739 186.4469 762120.3359 2.3359 2.4644 PRESSURE: 1250600 -141.415 60.887 -221.145 60.8867 130.941 -64.1634 -221.144 -64.1636 90.7189 GPRESSURE: 1250600 -127.103 59.483 -118.918 63.1857 254.747 -65.8846 -240.784 2.93987 49.8138 PRESSAVG: 1250600 -16.1291 -8.54409 4.95959 -8.54421 -0.796363 8.89451 4.95956 8.89456 9.26201 GPRESSAVG: 1250600 -18.2015 -8.79215 5.22472 -7.8668 1.5991 8.14006 5.85531 11.2216 9.10922 TIMING: 1250600 CPU: 3902.89, 0.00312362/step Wall: 3902.89, 0.00312362/step, 3.25325 hours remaining, 234.886719 MB of memory in use. ENERGY: 1250600 4034.1847 20316.5351 14523.0305 248.0447 -203151.1958 2851.7910 0.0000 0.0000 52169.0716 -109008.5383 299.8164 -161177.6099 -108638.9716 299.3107 26.7483 59.1523 762206.0133 -2.5545 -2.4977 PRESSURE: 1250800 -260.731 105.422 164.317 105.422 196.154 -124.835 164.317 -124.836 -197.139 GPRESSURE: 1250800 -147.591 105.881 220.129 184.426 125.364 -185.063 140.434 -125.971 -152.48 PRESSAVG: 1250800 -27.1453 17.0103 49.3749 17.0104 41.6712 11.6659 49.3748 11.6659 10.0021 GPRESSAVG: 1250800 -26.2751 15.2279 49.7662 16.1943 39.7579 13.2665 48.1872 10.2385 10.7658 TIMING: 1250800 CPU: 3903.52, 0.00313731/step Wall: 3903.52, 0.0031373/step, 3.26733 hours remaining, 234.886719 MB of memory in use. ENERGY: 1250800 3962.6827 20634.0139 14369.4162 255.7296 -203040.3895 2517.8712 0.0000 0.0000 52400.5735 -108900.1023 301.1468 -161300.6758 -108533.8839 300.0313 -87.2384 -58.2355 761523.7549 8.1760 8.0829 PRESSURE: 1251000 -197.524 84.4708 43.6174 84.4707 165.628 83.9956 43.6175 83.9958 -152.928 GPRESSURE: 1251000 -127.194 117.768 134.132 30.6042 153.228 -25.3869 -88.081 236.363 -112.542 PRESSAVG: 1251000 30.5377 28.4055 -2.58423 28.4055 -26.6803 15.2672 -2.58424 15.2671 -14.4289 GPRESSAVG: 1251000 30.7761 28.3967 -2.99025 30.8026 -25.5948 13.5677 -2.70439 17.5732 -15.5847 TIMING: 1251000 CPU: 3904.14, 0.00312523/step Wall: 3904.14, 0.00312523/step, 3.25457 hours remaining, 234.886719 MB of memory in use. ENERGY: 1251000 3953.9995 20557.5506 14498.0638 260.3181 -202985.4851 2797.5282 0.0000 0.0000 51939.7329 -108978.2921 298.4984 -160918.0249 -108606.2108 299.9408 -61.6080 -28.8360 764472.4632 -3.5238 -3.4678 PRESSURE: 1251200 -16.964 -158.065 -3.51245 -158.064 220.322 53.2446 -3.51301 53.2443 18.212 GPRESSURE: 1251200 81.1845 -58.3221 -36.1202 -220.947 180.107 -77.4423 -75.4858 151.714 36.1986 PRESSAVG: 1251200 -47.1097 -40.9927 -12.3675 -40.9927 34.8074 -0.399196 -12.3675 -0.399213 34.5474 GPRESSAVG: 1251200 -48.0784 -38.7511 -13.3177 -42.3019 34.9012 2.29996 -12.2635 -1.23164 34.5458 TIMING: 1251200 CPU: 3904.76, 0.00312204/step Wall: 3904.76, 0.00312204/step, 3.25108 hours remaining, 234.886719 MB of memory in use. ENERGY: 1251200 4011.1085 20621.4014 14414.8875 255.3528 -203259.5683 2731.5485 0.0000 0.0000 52200.6306 -109024.6390 299.9977 -161225.2696 -108662.0313 299.0991 73.8568 99.1635 761772.7178 7.4150 7.1229 PRESSURE: 1251400 222.529 -28.6287 101.923 -28.6278 260.43 48.2039 101.922 48.2046 292.968 GPRESSURE: 1251400 249.58 -71.0275 201.686 23.4481 322.417 38.4142 42.7966 -18.1282 269.996 PRESSAVG: 1251400 23.2943 -13.8667 19.4454 -13.8667 -47.1502 -8.6766 19.4454 -8.67663 -13.6104 GPRESSAVG: 1251400 23.4273 -17.567 20.4628 -13.8026 -47.7536 -10.253 19.4688 -11.2739 -13.4164 TIMING: 1251400 CPU: 3905.39, 0.00313098/step Wall: 3905.39, 0.00313098/step, 3.26022 hours remaining, 234.886719 MB of memory in use. ENERGY: 1251400 3963.9310 20641.3198 14379.3218 248.9017 -203408.3595 2814.5500 0.0000 0.0000 52089.0340 -109271.3012 299.3564 -161360.3352 -108914.7115 299.6243 258.6421 280.6646 761921.3017 -12.4887 -12.5809 PRESSURE: 1251600 137.33 -366.114 58.0614 -366.114 317.136 312.559 58.0627 312.559 121.781 GPRESSURE: 1251600 156.648 -283.273 55.2113 -299.003 369.423 309.567 163.877 246.225 149.036 PRESSAVG: 1251600 -25.0833 16.1875 62.8559 16.1875 13.915 -53.1272 62.8559 -53.1272 -9.51505 GPRESSAVG: 1251600 -25.2883 17.543 61.9096 14.8563 14.3122 -52.968 64.3531 -51.1896 -9.5897 TIMING: 1251600 CPU: 3906.02, 0.00313204/step Wall: 3906.02, 0.00313204/step, 3.26115 hours remaining, 234.886719 MB of memory in use. ENERGY: 1251600 3970.5747 20455.1310 14350.1578 253.0752 -203439.3625 2938.6295 0.0000 0.0000 51946.7397 -109525.0546 298.5386 -161471.7943 -109157.4228 299.0473 192.0826 225.0357 761789.4680 -6.8945 -6.8553 PRESSURE: 1251800 -34.2599 -228.831 108.836 -228.832 129.93 -204.705 108.836 -204.705 88.9492 GPRESSURE: 1251800 -11.6743 -354.07 220.5 -184.762 161.877 -167.145 56.9691 -97.7687 132.563 PRESSAVG: 1251800 76.3007 -14.1776 59.9597 -14.1776 -27.2807 -13.7063 59.9597 -13.7063 15.2313 GPRESSAVG: 1251800 75.2776 -13.2672 62.0233 -12.5331 -26.3269 -13.8114 58.7474 -14.104 15.0974 TIMING: 1251800 CPU: 3906.65, 0.00317215/step Wall: 3906.65, 0.00317215/step, 3.30273 hours remaining, 234.886719 MB of memory in use. ENERGY: 1251800 4005.4078 20538.0754 14367.0343 232.5035 -203782.5899 3084.4943 0.0000 0.0000 52011.8627 -109543.2119 298.9129 -161555.0747 -109175.9357 298.7458 61.5397 94.2553 763118.7297 21.4171 21.3494 PRESSURE: 1252000 -23.3164 -108.553 140.177 -108.553 -106.607 23.5385 140.178 23.539 187.79 GPRESSURE: 1252000 78.3135 -53.2552 242.105 -76.1871 -79.5658 11.2956 80.9887 5.29366 147.473 PRESSAVG: 1252000 43.8385 4.20882 19.3306 4.20884 -73.8651 -28.8527 19.3306 -28.8526 0.905193 GPRESSAVG: 1252000 45.5066 4.37396 17.4981 2.60558 -75.2331 -29.2024 19.3435 -29.0091 0.376412 TIMING: 1252000 CPU: 3907.28, 0.00313563/step Wall: 3907.28, 0.00313563/step, 3.26454 hours remaining, 234.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1252000 4034.2080 20538.0630 14365.8580 245.8373 -203483.8965 2862.2045 0.0000 0.0000 51735.8853 -109701.8404 297.3268 -161437.7258 -109329.0062 298.5343 19.2890 48.7402 764254.5136 -9.7071 -9.7833 PRESSURE: 1252200 -258.912 -83.5357 -74.9526 -83.5351 -27.6923 288.553 -74.952 288.552 -108.692 GPRESSURE: 1252200 -167.954 -50.8255 -120.787 47.1145 -5.70936 285.736 -79.4722 231.659 -131.954 PRESSAVG: 1252200 20.7982 30.9184 27.4807 30.9184 14.0762 1.91154 27.4807 1.91153 -13.5524 GPRESSAVG: 1252200 21.363 29.1413 27.2176 30.7406 14.3875 4.87254 27.8052 -0.24783 -14.407 TIMING: 1252200 CPU: 3907.9, 0.00312701/step Wall: 3907.9, 0.00312701/step, 3.25539 hours remaining, 234.886719 MB of memory in use. ENERGY: 1252200 3998.2699 20506.8640 14427.6881 241.2632 -203858.5017 3083.3980 0.0000 0.0000 51863.6914 -109737.3270 298.0613 -161601.0185 -109375.9612 297.9438 -131.7655 -101.8725 763962.0314 7.1074 7.1145 LDB: ============= START OF LOAD BALANCING ============== 3920.38 LDB: ============== END OF LOAD BALANCING =============== 3920.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3920.39 LDB: ============= START OF LOAD BALANCING ============== 3920.7 LDB: Largest compute 7007 load 0.029131 is 14.9% of average load 0.195068 LDB: Average compute 0.004351 is 2.2% of average load 0.195068 LDB: TIME 3920.7 LOAD: AVG 0.195068 MAX 0.215822 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.309 MB LDB: TIME 3920.71 LOAD: AVG 0.195068 MAX 0.215822 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.375 MB LDB: TIME 3920.71 LOAD: AVG 0.195068 MAX 0.215822 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.375 MB LDB: ============== END OF LOAD BALANCING =============== 3920.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3920.71 PRESSURE: 1252400 -40.5304 92.7586 124.595 92.7578 374.407 14.7055 124.594 14.7053 -638.858 GPRESSURE: 1252400 20.5616 -16.2112 182.08 83.1875 297.566 13.5493 53.3863 33.3826 -539.858 PRESSAVG: 1252400 -10.6605 15.1699 28.1798 15.17 -11.0067 11.8927 28.1797 11.8926 10.1267 GPRESSAVG: 1252400 -12.1748 14.5292 28.0844 17.9021 -12.4689 10.3608 29.4508 13.892 12.9526 TIMING: 1252400 CPU: 3908.55, 0.00321251/step Wall: 3908.55, 0.00321251/step, 3.34422 hours remaining, 233.027344 MB of memory in use. ENERGY: 1252400 3962.8449 20489.8162 14357.1932 242.3059 -203256.4266 2649.6770 0.0000 0.0000 52071.3384 -109483.2511 299.2547 -161554.5895 -109129.3395 298.8165 -101.6605 -73.9102 763305.3658 -3.8468 -3.8971 PRESSURE: 1252600 -475.647 91.2752 -85.8721 91.2758 -101.397 -24.3591 -85.8723 -24.3584 290.601 GPRESSURE: 1252600 -427.173 130.742 -128.702 98.5751 -3.57499 -26.1624 -117.727 43.3246 214.11 PRESSAVG: 1252600 -26.0481 7.50227 30.991 7.50227 24.3017 -11.7329 30.991 -11.7329 3.73727 GPRESSAVG: 1252600 -24.3231 8.8952 31.5505 7.60607 25.1916 -12.0123 29.4757 -13.1506 1.05993 TIMING: 1252600 CPU: 3909.17, 0.00313853/step Wall: 3909.17, 0.00313853/step, 3.26704 hours remaining, 233.027344 MB of memory in use. ENERGY: 1252600 3992.7059 20562.1012 14379.1790 245.5865 -203334.5926 2747.0184 0.0000 0.0000 52174.4604 -109233.5412 299.8473 -161408.0016 -108869.2803 298.9103 -95.4810 -72.2126 762319.2649 0.6636 0.6428 PRESSURE: 1252800 -241.119 -170.773 174.715 -170.774 -477.337 94.1806 174.714 94.181 -245.345 GPRESSURE: 1252800 -233.816 -214.457 83.3519 -181.77 -401.682 40.3336 214.7 155.625 -237.933 PRESSAVG: 1252800 -10.2909 14.905 -54.3208 14.9049 40.0567 -1.79604 -54.3208 -1.79607 3.43107 GPRESSAVG: 1252800 -10.8945 14.4241 -55.7775 15.276 40.0313 -2.09048 -51.1006 -1.3499 3.98958 TIMING: 1252800 CPU: 3909.8, 0.0031253/step Wall: 3909.8, 0.0031253/step, 3.25309 hours remaining, 233.027344 MB of memory in use. ENERGY: 1252800 4004.1775 20498.6675 14440.0713 231.2271 -203105.4605 2458.1252 0.0000 0.0000 52180.8928 -109292.2991 299.8843 -161473.1919 -108921.8456 299.4456 -321.2669 -291.1438 762861.6649 11.0656 11.0421 PRESSURE: 1253000 245.594 -215.716 -219.644 -215.716 24.8402 -3.88517 -219.643 -3.88535 450.571 GPRESSURE: 1253000 322.408 -148.897 -220.121 -198.634 -13.7995 -59.1233 -118.287 -48.0896 483.955 PRESSAVG: 1253000 -23.6168 -56.5411 -15.4232 -56.5411 7.70035 33.1719 -15.4232 33.1719 -6.2133 GPRESSAVG: 1253000 -22.9847 -57.498 -15.6826 -58.0989 7.08605 32.5977 -16.8082 34.3068 -6.22765 TIMING: 1253000 CPU: 3910.42, 0.00311983/step Wall: 3910.42, 0.00311983/step, 3.24723 hours remaining, 233.027344 MB of memory in use. ENERGY: 1253000 3962.0969 20390.0570 14433.0108 250.9602 -203421.8758 2999.5933 0.0000 0.0000 52053.7327 -109332.4250 299.1535 -161386.1577 -108966.4695 298.9545 240.3351 264.1880 762664.0891 -7.3766 -7.3754 PRESSURE: 1253200 86.6489 -164.661 -254.89 -164.661 80.6807 -96.9215 -254.89 -96.9215 21.5911 GPRESSURE: 1253200 192.371 -137.941 -286.733 -219.831 48.4778 -75.5472 -121.643 -79.8633 35.4079 PRESSAVG: 1253200 65.49 -26.715 -18.4538 -26.715 -62.9895 70.3651 -18.4538 70.3651 9.6043 GPRESSAVG: 1253200 64.9643 -26.598 -16.3452 -27.3705 -62.4459 69.669 -19.4575 69.9154 10.0244 TIMING: 1253200 CPU: 3911.05, 0.00312316/step Wall: 3911.05, 0.00312316/step, 3.25051 hours remaining, 233.027344 MB of memory in use. ENERGY: 1253200 3978.1344 20550.9458 14371.1027 231.5875 -203289.6551 2794.0453 0.0000 0.0000 51942.6523 -109421.1870 298.5151 -161363.8393 -109051.7362 299.1443 62.9736 92.0857 762102.2653 4.0349 4.1809 PRESSURE: 1253400 -324.172 215.818 22.059 215.818 -107.565 74.8768 22.0586 74.8767 101.374 GPRESSURE: 1253400 -305.347 240.044 1.43645 177.996 -63.8001 102.974 96.3539 120.718 106.607 PRESSAVG: 1253400 -7.28977 0.695758 17.9478 0.69578 8.81339 58.5035 17.9478 58.5035 22.069 GPRESSAVG: 1253400 -8.001 0.54474 17.5396 1.72349 9.1019 59.0715 16.5895 58.3538 22.3806 TIMING: 1253400 CPU: 3911.68, 0.00314616/step Wall: 3911.68, 0.00314616/step, 3.27428 hours remaining, 233.027344 MB of memory in use. ENERGY: 1253400 3972.4359 20473.1293 14448.3886 232.2434 -202940.7797 2577.7976 0.0000 0.0000 52191.0443 -109045.7406 299.9426 -161236.7850 -108677.7746 299.5149 -110.1212 -87.5135 764007.3125 7.8642 7.8272 PRESSURE: 1253600 -197.939 84.9971 -189.986 84.9975 149.881 139.923 -189.987 139.922 -27.3296 GPRESSURE: 1253600 -92.8059 145.081 -122.05 91.9859 175.081 205.422 -133.566 263.144 -79.186 PRESSAVG: 1253600 30.5762 1.682 39.302 1.68196 -51.1761 -1.70529 39.3019 -1.7054 5.22359 GPRESSAVG: 1253600 30.6161 1.23275 39.7286 2.28389 -50.9708 -2.63823 41.1065 -1.17285 5.23689 TIMING: 1253600 CPU: 3912.3, 0.00313565/step Wall: 3912.3, 0.00313565/step, 3.26317 hours remaining, 233.027344 MB of memory in use. ENERGY: 1253600 3979.9461 20764.9425 14372.7550 243.9253 -203427.2812 2975.5765 0.0000 0.0000 52030.5254 -109059.6104 299.0201 -161090.1359 -108707.3290 299.7043 -25.1290 1.0298 763686.0267 -5.1255 -5.0393 PRESSURE: 1253800 -369.334 -190.876 -217.02 -190.877 -305.74 -270.032 -217.02 -270.032 -57.2352 GPRESSURE: 1253800 -330.52 -239.082 -208.762 82.7031 -268.305 -371.821 -161.671 -133.424 -43.8924 PRESSAVG: 1253800 -41.8309 -6.5574 41.745 -6.55744 38.7698 -15.1278 41.745 -15.128 22.7186 GPRESSAVG: 1253800 -40.5722 -6.54135 42.1144 -6.50379 38.9439 -14.9943 43.7715 -16.1563 21.4151 TIMING: 1253800 CPU: 3912.93, 0.00313092/step Wall: 3912.93, 0.00313092/step, 3.25807 hours remaining, 233.027344 MB of memory in use. ENERGY: 1253800 4086.9166 20459.2464 14425.5551 235.8582 -202959.6731 2418.9026 0.0000 0.0000 52074.4579 -109258.7362 299.2726 -161333.1941 -108907.7827 299.7154 -244.1032 -214.2390 763056.5016 6.5525 6.5956 PRESSURE: 1254000 -212.51 4.3481 159.684 4.34773 -486.472 -85.7913 159.685 -85.7915 -266.081 GPRESSURE: 1254000 -203.212 63.4698 113.086 -98.9651 -442.608 -20.9714 79.0248 -188.285 -219.626 PRESSAVG: 1254000 -28.8015 -36.1305 3.53057 -36.1306 24.4659 -25.5597 3.53058 -25.5596 -2.06825 GPRESSAVG: 1254000 -30.7438 -34.1899 0.382851 -38.6795 25.4329 -24.3753 4.06545 -24.4488 -1.54352 TIMING: 1254000 CPU: 3913.56, 0.00313135/step Wall: 3913.56, 0.00313135/step, 3.25835 hours remaining, 233.027344 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: 1254000 4065.5182 20404.9752 14466.5267 249.0988 -202779.9521 2427.5477 0.0000 0.0000 51877.5706 -109288.7150 298.1411 -161166.2856 -108936.9493 298.9674 -321.6877 -288.4820 762477.3101 -2.1346 -2.2848 PRESSURE: 1254200 7.56167 143.698 -104.338 143.698 -16.7138 -197.419 -104.338 -197.42 -250.397 GPRESSURE: 1254200 -6.94194 27.1024 -48.3455 96.578 9.56117 -247.794 -114.142 -63.9059 -188.406 PRESSAVG: 1254200 16.4193 13.0456 25.0195 13.0456 -19.0132 -25.3413 25.0195 -25.3413 -10.9547 GPRESSAVG: 1254200 17.6712 10.0563 27.9585 14.2051 -21.4133 -25.3319 22.3494 -27.2515 -9.21805 TIMING: 1254200 CPU: 3914.19, 0.00314612/step Wall: 3914.19, 0.00314612/step, 3.27354 hours remaining, 233.027344 MB of memory in use. ENERGY: 1254200 3983.8008 20623.4025 14385.4596 268.5551 -203046.8822 2652.4292 0.0000 0.0000 51965.5656 -109167.6693 298.6468 -161133.2349 -108811.2142 299.2607 -86.5163 -61.9290 763895.6156 -4.5162 -4.3201 PRESSURE: 1254400 -194.755 -26.5125 -106.631 -26.5129 -111.182 22.898 -106.63 22.8991 -137.928 GPRESSURE: 1254400 -108.287 -20.841 -87.9715 12.9183 -118.669 0.0720922 -160.677 182.991 -131.326 PRESSAVG: 1254400 17.7845 29.7018 -69.9521 29.7018 -31.8955 -15.7963 -69.9522 -15.7963 -4.54928 GPRESSAVG: 1254400 18.5994 32.5504 -69.512 28.7177 -31.2971 -14.2844 -70.1073 -15.942 -5.48767 TIMING: 1254400 CPU: 3914.81, 0.00311651/step Wall: 3914.81, 0.00311651/step, 3.24256 hours remaining, 233.027344 MB of memory in use. ENERGY: 1254400 4002.7362 20664.1769 14420.6302 235.5273 -202890.6383 2368.8873 0.0000 0.0000 52073.1503 -109125.5300 299.2651 -161198.6803 -108770.2843 299.2601 -147.9549 -119.4272 762377.3061 -6.2201 -6.0618 PRESSURE: 1254600 13.1348 127.523 194.06 127.524 138.517 -150.819 194.06 -150.82 113.526 GPRESSURE: 1254600 171.114 85.7015 237.68 101.65 113.132 -187.963 150.637 -162.038 50.7382 PRESSAVG: 1254600 -3.21727 75.1295 5.04446 75.1295 8.0911 37.4091 5.04448 37.4091 19.7785 GPRESSAVG: 1254600 -3.52707 74.8816 3.77761 75.3965 8.2316 35.0997 5.67586 39.7843 19.6701 TIMING: 1254600 CPU: 3915.44, 0.00312955/step Wall: 3915.44, 0.00312955/step, 3.25595 hours remaining, 233.027344 MB of memory in use. ENERGY: 1254600 4005.6138 20532.4129 14412.4491 234.0974 -203353.8389 2849.0772 0.0000 0.0000 51936.7014 -109383.4870 298.4809 -161320.1885 -109033.7906 299.7006 88.3928 111.6614 762200.5309 8.2174 8.1249 PRESSURE: 1254800 -273.063 -268.327 54.1853 -268.328 12.975 290.168 54.185 290.166 397.544 GPRESSURE: 1254800 -268.114 -268.91 27.77 -218.268 108.66 262.81 -129.884 296.282 368.368 PRESSAVG: 1254800 -11.3441 13.8433 59.0732 13.8433 24.6915 24.8898 59.0731 24.8898 15.1288 GPRESSAVG: 1254800 -12.3243 12.5234 59.1232 14.5269 24.9683 25.9972 59.2215 22.4916 15.5166 TIMING: 1254800 CPU: 3916.06, 0.0031384/step Wall: 3916.06, 0.0031384/step, 3.26498 hours remaining, 233.027344 MB of memory in use. ENERGY: 1254800 3981.8137 20529.8041 14386.5292 227.7800 -203413.4275 2891.3297 0.0000 0.0000 52052.0976 -109344.0733 299.1441 -161396.1709 -108983.1323 299.3029 45.8186 69.6381 763698.0503 9.4921 9.3869 PRESSURE: 1255000 61.0039 162.885 38.6213 162.885 -22.2848 31.091 38.6211 31.0916 292.162 GPRESSURE: 1255000 196.985 205.95 69.3467 135.589 -76.3558 30.7897 35.8321 24.4567 279.963 PRESSAVG: 1255000 -63.5084 -31.5455 -20.0806 -31.5455 20.9547 1.10696 -20.0806 1.10695 14.4971 GPRESSAVG: 1255000 -62.9412 -30.7429 -20.6057 -31.4963 21.2574 1.82936 -21.6903 2.26831 13.456 TIMING: 1255000 CPU: 3916.69, 0.00313811/step Wall: 3916.69, 0.00313811/step, 3.2645 hours remaining, 233.027344 MB of memory in use. ENERGY: 1255000 3955.4671 20537.2662 14360.8066 254.2615 -204007.2220 3230.1282 0.0000 0.0000 52138.3604 -109530.9320 299.6399 -161669.2924 -109171.9689 299.2863 110.2936 133.5309 760866.0236 -9.3522 -9.4093 PRESSURE: 1255200 -408.854 -243.916 210.694 -243.916 -293.614 -144.054 210.692 -144.054 -290.827 GPRESSURE: 1255200 -360.835 -285.998 212.935 -208.856 -240.864 -241.631 114.951 -62.3371 -297.042 PRESSAVG: 1255200 15.6402 -37.9409 -10.5618 -37.9409 22.1823 5.44729 -10.5619 5.4473 -5.08514 GPRESSAVG: 1255200 15.3122 -38.0838 -7.89525 -38.4086 21.8346 5.48614 -9.85621 5.04801 -4.25893 TIMING: 1255200 CPU: 3917.32, 0.00314046/step Wall: 3917.32, 0.00314046/step, 3.26678 hours remaining, 233.027344 MB of memory in use. ENERGY: 1255200 3995.3473 20668.1436 14483.9460 259.6431 -203291.3514 2596.5707 0.0000 0.0000 51947.2686 -109340.4321 298.5417 -161287.7007 -108974.0114 299.4503 -331.0983 -299.5802 762614.5596 10.9125 10.9626 PRESSURE: 1255400 -338.918 272.434 177.358 272.433 -140.989 -80.8879 177.357 -80.8883 -183.162 GPRESSURE: 1255400 -344.368 233.995 275.295 229.033 -78.1816 -132.576 -5.64131 39.319 -160.372 PRESSAVG: 1255400 -35.3316 14.2014 11.3568 14.2014 -8.37406 33.138 11.3567 33.138 4.13256 GPRESSAVG: 1255400 -34.948 14.9149 9.72419 13.5764 -8.56952 32.4067 9.67949 35.0633 4.22859 TIMING: 1255400 CPU: 3917.95, 0.00313436/step Wall: 3917.95, 0.00313436/step, 3.26026 hours remaining, 233.027344 MB of memory in use. ENERGY: 1255400 4044.5611 20449.5157 14440.5162 260.6131 -203406.3285 2780.8187 0.0000 0.0000 51991.2885 -109439.0153 298.7946 -161430.3038 -109071.1961 298.7602 -221.0230 -194.3071 761475.9407 -13.1910 -13.0963 PRESSURE: 1255600 230.124 18.2828 202.501 18.2832 24.5742 37.9004 202.502 37.9006 11.7677 GPRESSURE: 1255600 320.49 109.832 262.985 141.9 -15.647 15.2803 286.923 -96.1312 21.3927 PRESSAVG: 1255600 27.6633 18.3023 37.2887 18.3024 6.5854 39.1059 37.2886 39.106 7.7545 GPRESSAVG: 1255600 27.1564 17.1548 37.7042 17.9021 7.0176 38.3188 39.2518 36.0967 8.08518 TIMING: 1255600 CPU: 3918.57, 0.00313107/step Wall: 3918.57, 0.00313107/step, 3.25666 hours remaining, 233.027344 MB of memory in use. ENERGY: 1255600 4003.6185 20473.8494 14504.1938 250.4640 -203692.3575 3026.2012 0.0000 0.0000 51884.6752 -109549.3556 298.1819 -161434.0307 -109191.7596 298.3429 88.8219 108.7452 763146.6971 14.0011 14.0864 PRESSURE: 1255800 145.314 -92.5422 119.068 -92.5421 190.422 162.567 119.069 162.567 8.15721 GPRESSURE: 1255800 137.773 -106.063 77.0934 -83.1707 189.78 95.9045 151.003 253.606 108.841 PRESSAVG: 1255800 20.8625 -18.0695 43.54 -18.0695 -1.34973 0.46717 43.54 0.467135 16.0645 GPRESSAVG: 1255800 20.5745 -18.4749 42.8768 -17.8978 -1.48855 0.737888 43.6998 1.15954 16.5353 TIMING: 1255800 CPU: 3919.2, 0.00313592/step Wall: 3919.2, 0.00313592/step, 3.26153 hours remaining, 233.027344 MB of memory in use. ENERGY: 1255800 4027.2505 20532.1791 14480.9653 249.1601 -203472.8997 2873.3260 0.0000 0.0000 51714.0915 -109595.9271 297.2016 -161310.0186 -109232.8749 298.5525 114.6310 145.4643 761989.2247 11.8591 11.8737 PRESSURE: 1256000 -5.06803 60.1586 175.433 60.1588 -162.114 39.4859 175.433 39.4856 18.3613 GPRESSURE: 1256000 -30.744 88.2947 149.824 85.5946 -128.612 1.60508 38.7817 136.439 97.4722 PRESSAVG: 1256000 38.6801 -5.88964 -8.00573 -5.88962 5.89492 -38.1729 -8.00573 -38.1729 0.411609 GPRESSAVG: 1256000 39.1245 -5.16075 -8.58355 -6.75703 5.28879 -37.124 -9.47943 -38.2215 0.364721 TIMING: 1256000 CPU: 3919.83, 0.00315058/step Wall: 3919.83, 0.00315058/step, 3.27661 hours remaining, 233.027344 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: 1256000 3990.0450 20474.7868 14550.7320 241.3099 -203549.2133 2957.6314 0.0000 0.0000 51821.0905 -109513.6176 297.8165 -161334.7082 -109155.0642 298.8250 -49.6069 -20.6278 763369.3089 14.9956 14.9260 PRESSURE: 1256200 -89.6007 99.9591 16.4592 99.9591 -172.024 76.2906 16.4589 76.291 193.288 GPRESSURE: 1256200 -60.2251 -66.1938 64.7904 183.983 -172.188 17.4567 -112.727 40.6365 248.538 PRESSAVG: 1256200 9.82759 -26.8184 13.5488 -26.8186 14.9412 -19.8722 13.5489 -19.8722 -10.6298 GPRESSAVG: 1256200 9.91811 -25.4785 14.7413 -26.3847 15.5575 -19.7401 14.8072 -22.109 -11.444 TIMING: 1256200 CPU: 3920.46, 0.0031486/step Wall: 3920.46, 0.0031486/step, 3.27437 hours remaining, 233.027344 MB of memory in use. ENERGY: 1256200 4047.4442 20369.7385 14505.7795 264.9616 -203418.2089 2885.4726 0.0000 0.0000 51999.1509 -109345.6617 298.8398 -161344.8126 -108978.0381 299.0700 -22.7789 5.3750 762316.7601 4.7130 4.6772 LDB: ============= START OF LOAD BALANCING ============== 3932.94 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3932.94 LDB: =============== DONE WITH MIGRATION ================ 3932.94 LDB: ============= START OF LOAD BALANCING ============== 3933.26 LDB: Largest compute 7007 load 0.029389 is 15.1% of average load 0.195033 LDB: Average compute 0.004388 is 2.3% of average load 0.195033 LDB: TIME 3933.26 LOAD: AVG 0.195033 MAX 0.213957 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.824 MB LDB: TIME 3933.26 LOAD: AVG 0.195033 MAX 0.213957 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.824 MB LDB: TIME 3933.26 LOAD: AVG 0.195033 MAX 0.213957 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.824 MB LDB: ============== END OF LOAD BALANCING =============== 3933.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3933.27 PRESSURE: 1256400 -180.958 -102.929 116.59 -102.929 119.003 86.284 116.59 86.283 -6.65604 GPRESSURE: 1256400 -102.523 -87.5552 98.9968 -80.1781 158.612 73.9617 58.0671 116.203 -11.235 PRESSAVG: 1256400 10.0464 -17.9854 54.7641 -17.9854 -25.4806 21.5705 54.764 21.5705 -3.88997 GPRESSAVG: 1256400 10.658 -18.68 53.6197 -16.9608 -26.2297 21.2555 55.0846 24.9638 -3.88481 TIMING: 1256400 CPU: 3921.1, 0.00321073/step Wall: 3921.1, 0.00321073/step, 3.3388 hours remaining, 234.253906 MB of memory in use. ENERGY: 1256400 3962.0428 20582.5645 14417.9686 246.7647 -203094.3680 2701.8755 0.0000 0.0000 52162.0300 -109021.1219 299.7759 -161183.1519 -108655.7203 299.4135 -22.8704 14.9515 764713.6060 -6.4414 -6.4855 PRESSURE: 1256600 -271.034 51.4704 215.307 51.4714 127.614 292.045 215.306 292.046 -46.1816 GPRESSURE: 1256600 -210.513 136.637 106.292 19.4023 129.645 148.567 253.675 266.028 -28.409 PRESSAVG: 1256600 21.1516 7.31073 72.9117 7.31072 -63.0161 -10.8218 72.9117 -10.8218 -5.63795 GPRESSAVG: 1256600 22.2099 8.23677 72.2743 5.79066 -62.7955 -12.2646 71.3449 -11.5929 -7.06697 TIMING: 1256600 CPU: 3921.73, 0.00313773/step Wall: 3921.73, 0.00313773/step, 3.26272 hours remaining, 234.253906 MB of memory in use. ENERGY: 1256600 4000.7142 20694.6185 14464.8045 241.6823 -203081.1792 2644.4448 0.0000 0.0000 52091.2186 -108943.6964 299.3689 -161034.9149 -108576.3359 299.7079 -63.2008 -36.4258 763378.8412 -15.8342 -15.8842 PRESSURE: 1256800 5.49043 186.217 -64.9074 186.217 -84.2006 -161.61 -64.9081 -161.61 129.766 GPRESSURE: 1256800 86.4345 54.7803 57.4939 139.466 -2.26805 -225.626 -12.4457 -117.663 32.9269 PRESSAVG: 1256800 14.6387 10.0805 27.5605 10.0806 -55.1479 -13.8463 27.5605 -13.8462 4.33226 GPRESSAVG: 1256800 13.9127 7.31899 28.8728 11.233 -54.4445 -13.3332 28.884 -14.359 4.37082 TIMING: 1256800 CPU: 3922.36, 0.00315376/step Wall: 3922.36, 0.00315376/step, 3.27921 hours remaining, 234.253906 MB of memory in use. ENERGY: 1256800 4117.7216 20466.8929 14447.0591 227.8030 -203582.0519 3071.2635 0.0000 0.0000 52353.5120 -108897.7997 300.8764 -161251.3117 -108536.9881 299.9205 17.0186 39.0311 763555.0795 -12.0590 -12.0537 PRESSURE: 1257000 -181.411 -15.9123 84.1477 -15.9118 -383.948 -81.0151 84.1473 -81.0146 -232.296 GPRESSURE: 1257000 -175.921 42.3391 136.967 69.1379 -310.035 -119.263 49.0429 -47.1776 -247.342 PRESSAVG: 1257000 -4.91037 -14.4737 -34.7508 -14.4737 29.5599 6.40582 -34.7508 6.40584 -15.4279 GPRESSAVG: 1257000 -6.02744 -13.629 -34.4881 -15.5564 29.6827 7.43784 -34.3311 5.89416 -14.5753 TIMING: 1257000 CPU: 3922.98, 0.00312374/step Wall: 3922.98, 0.00312374/step, 3.24783 hours remaining, 234.253906 MB of memory in use. ENERGY: 1257000 3981.7708 20668.0976 14460.3632 236.8471 -203011.5148 2587.2619 0.0000 0.0000 51950.7103 -109126.4638 298.5614 -161077.1741 -108760.9773 299.8835 -265.8848 -244.4324 763107.1499 3.0739 3.0267 PRESSURE: 1257200 125.705 14.969 51.3452 14.9694 -128.059 28.4682 51.3454 28.4685 50.8352 GPRESSURE: 1257200 131.947 102.556 73.5868 149.086 -48.78 101.161 30.7856 -145.693 58.7114 PRESSAVG: 1257200 -8.48572 9.47168 -31.3994 9.47167 14.1089 41.3457 -31.3994 41.3457 3.94267 GPRESSAVG: 1257200 -7.48625 11.4949 -32.2846 11.543 12.7259 40.764 -31.0629 42.424 3.99985 TIMING: 1257200 CPU: 3923.61, 0.00311971/step Wall: 3923.61, 0.00311971/step, 3.24346 hours remaining, 234.253906 MB of memory in use. ENERGY: 1257200 3966.0439 20507.4942 14395.5082 224.5805 -203045.3645 2820.8896 0.0000 0.0000 51982.0920 -109148.7560 298.7418 -161130.8480 -108777.8790 299.5317 16.1605 47.2927 763157.1944 3.1886 3.0798 PRESSURE: 1257400 -15.4846 143.102 113.099 143.102 142.92 -113.882 113.099 -113.881 306.23 GPRESSURE: 1257400 20.2307 134.157 94.4154 49.3471 167.652 -64.18 73.298 -124.848 304.303 PRESSAVG: 1257400 4.0279 -18.9445 57.8761 -18.9445 32.5964 20.0237 57.8761 20.0237 -2.40561 GPRESSAVG: 1257400 2.46469 -21.3937 56.6186 -19.0005 32.7739 20.8552 58.9431 19.6671 -1.3914 TIMING: 1257400 CPU: 3924.23, 0.00312351/step Wall: 3924.23, 0.00312351/step, 3.24723 hours remaining, 234.253906 MB of memory in use. ENERGY: 1257400 3919.5328 20559.3012 14399.7436 268.9330 -203128.2480 2796.7257 0.0000 0.0000 51964.5084 -109219.5034 298.6407 -161184.0118 -108859.9503 298.9914 144.5551 164.0619 764461.4199 11.4062 11.2824 PRESSURE: 1257600 -199.548 19.4755 108.467 19.4758 -632.775 393.266 108.468 393.266 112.84 GPRESSURE: 1257600 -230.734 -155.635 92.4999 114.676 -512.46 406.473 64.5015 373.763 105.44 PRESSAVG: 1257600 29.3404 -3.18419 30.5289 -3.18414 -0.482785 62.0808 30.5289 62.0808 2.08266 GPRESSAVG: 1257600 30.4362 -2.56632 32.0328 -3.5197 0.270051 60.5506 26.9765 62.2596 0.44985 TIMING: 1257600 CPU: 3924.86, 0.00314639/step Wall: 3924.86, 0.00314639/step, 3.27085 hours remaining, 234.253906 MB of memory in use. ENERGY: 1257600 4048.1489 20582.8541 14407.6078 244.7686 -203246.0546 2567.3146 0.0000 0.0000 52134.5065 -109260.8542 299.6177 -161395.3607 -108899.4459 299.0070 -239.8276 -212.5850 763237.7264 10.3134 10.3854 PRESSURE: 1257800 -111.383 -186.979 -188.373 -186.98 449.642 -28.7374 -188.374 -28.7378 379.797 GPRESSURE: 1257800 -26.3441 -65.8251 -251.622 -150.64 401.307 -80.7104 -86.7128 -9.11978 425.082 PRESSAVG: 1257800 60.9933 -2.4847 -50.5065 -2.48472 -39.7773 17.2525 -50.5065 17.2525 -16.2315 GPRESSAVG: 1257800 61.8645 -0.304127 -51.3035 -3.91353 -40.0838 16.3713 -47.7898 18.8932 -16.0616 TIMING: 1257800 CPU: 3925.49, 0.00315151/step Wall: 3925.49, 0.00315151/step, 3.27599 hours remaining, 234.253906 MB of memory in use. ENERGY: 1257800 3957.0804 20466.7848 14427.1244 240.3787 -203442.6259 2997.7227 0.0000 0.0000 52065.8179 -109287.7170 299.2230 -161353.5349 -108922.2187 299.1103 239.3519 266.6818 760742.2781 1.6615 1.9063 PRESSURE: 1258000 -55.9987 53.3595 38.593 53.3591 -172.346 -154.844 38.5937 -154.844 89.9915 GPRESSURE: 1258000 -105.39 37.0682 106.683 46.6869 -98.767 -158.543 134.992 -133.797 161.12 PRESSAVG: 1258000 -33.9343 -35.7462 -26.692 -35.7462 15.7779 -13.2365 -26.692 -13.2364 5.12798 GPRESSAVG: 1258000 -33.9728 -35.9235 -27.1638 -35.2626 17.0986 -12.9408 -25.3678 -12.3736 3.83412 TIMING: 1258000 CPU: 3926.12, 0.00313256/step Wall: 3926.12, 0.00313256/step, 3.25612 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1258000 4004.5157 20550.3543 14429.6440 260.6336 -203503.3557 2832.7086 0.0000 0.0000 51971.3841 -109454.1153 298.6803 -161425.4994 -109091.1370 298.6139 -46.1176 -14.3457 762847.4086 -4.3428 -4.3467 PRESSURE: 1258200 -277.117 48.198 7.52111 48.1976 -27.1594 -139.218 7.52106 -139.219 -229.965 GPRESSURE: 1258200 -181.764 -72.8444 -48.1823 70.2951 -43.2492 -165.717 -72.4006 -88.887 -222.243 PRESSAVG: 1258200 -54.1252 -60.0867 -15.5242 -60.0867 20.469 29.8898 -15.5242 29.8899 -21.8557 GPRESSAVG: 1258200 -54.5374 -62.5344 -14.139 -58.6486 17.7515 30.6836 -17.8979 27.9436 -18.6985 TIMING: 1258200 CPU: 3926.75, 0.00313664/step Wall: 3926.75, 0.00313664/step, 3.26019 hours remaining, 234.253906 MB of memory in use. ENERGY: 1258200 3915.1999 20591.5923 14482.0303 234.2249 -203234.5631 2608.2024 0.0000 0.0000 51918.3715 -109484.9418 298.3756 -161403.3132 -109119.7115 298.4121 -178.0804 -149.0854 762280.5616 -18.5040 -18.4948 PRESSURE: 1258400 274.059 25.0168 -145.099 25.0164 28.6567 -338.608 -145.099 -338.607 -67.1437 GPRESSURE: 1258400 350.416 0.593003 -150.529 33.0346 -0.56734 -296.519 -93.1579 -271.958 -37.6134 PRESSAVG: 1258400 -25.2242 -5.94392 6.65078 -5.94394 7.44926 -12.0954 6.65078 -12.0954 10.1844 GPRESSAVG: 1258400 -25.7443 -4.63136 5.72225 -5.55836 8.60425 -11.4138 8.03841 -11.5311 9.51912 TIMING: 1258400 CPU: 3927.38, 0.00314875/step Wall: 3927.38, 0.00314875/step, 3.2726 hours remaining, 234.253906 MB of memory in use. ENERGY: 1258400 3951.5649 20528.0607 14399.4035 216.5181 -203174.3460 2601.4457 0.0000 0.0000 51877.0887 -109600.2643 298.1383 -161477.3530 -109230.5649 298.4176 78.5240 104.0783 762517.7007 -2.5302 -2.5403 PRESSURE: 1258600 -119.733 -9.82755 -201.641 -9.82683 -415.74 1.71015 -201.641 1.7093 -444.27 GPRESSURE: 1258600 -135.953 -39.7393 -176.499 10.6052 -362.382 52.6604 -227.299 -72.9542 -425.952 PRESSAVG: 1258600 19.4415 24.8379 6.10829 24.838 -6.18268 -0.822965 6.10829 -0.822987 17.3959 GPRESSAVG: 1258600 19.3307 25.6403 7.098 23.2213 -5.76355 -0.696659 4.9033 -1.85398 16.8314 TIMING: 1258600 CPU: 3928.01, 0.00315892/step Wall: 3928.01, 0.00315892/step, 3.283 hours remaining, 234.253906 MB of memory in use. ENERGY: 1258600 3985.5136 20437.8368 14449.3850 268.5481 -203582.7351 2742.5867 0.0000 0.0000 51856.1484 -109842.7165 298.0180 -161698.8649 -109480.5949 298.0234 -326.5809 -308.0955 764505.5367 10.2182 10.1328 PRESSURE: 1258800 -247.758 -86.4157 -40.2617 -86.4152 -224.214 24.3973 -40.2619 24.3984 -389.907 GPRESSURE: 1258800 -261.506 -133.021 -109.785 4.84915 -154.939 -46.8208 97.891 28.3481 -378.771 PRESSAVG: 1258800 -50.1214 -15.9761 25.5034 -15.976 15.4403 6.34636 25.5035 6.3464 -11.4112 GPRESSAVG: 1258800 -50.8702 -17.7666 24.8359 -16.8139 15.8906 5.14408 25.9749 7.97201 -11.3982 TIMING: 1258800 CPU: 3928.64, 0.00315536/step Wall: 3928.64, 0.00315536/step, 3.27912 hours remaining, 234.253906 MB of memory in use. ENERGY: 1258800 3982.5847 20436.7469 14414.6388 244.0409 -203578.4193 2786.3976 0.0000 0.0000 51825.4297 -109888.5807 297.8415 -161714.0104 -109525.9780 297.8277 -287.2927 -265.0722 763873.0406 -15.3641 -15.4593 PRESSURE: 1259000 -433.817 151.687 27.6244 151.686 -28.7901 -87.0416 27.6241 -87.0418 -343.186 GPRESSURE: 1259000 -400.169 217.567 -54.7587 91.5963 63.7411 -41.2098 47.5025 -70.4062 -365.759 PRESSAVG: 1259000 22.36 19.241 24.0531 19.241 -39.8075 12.6798 24.0532 12.6798 -13.1007 GPRESSAVG: 1259000 23.4426 21.301 24.4891 19.6352 -40.9321 12.938 24.7315 11.0115 -12.8678 TIMING: 1259000 CPU: 3929.26, 0.00312888/step Wall: 3929.26, 0.00312888/step, 3.25142 hours remaining, 234.253906 MB of memory in use. ENERGY: 1259000 4016.2889 20452.2593 14394.9976 266.4500 -203889.8903 3058.2820 0.0000 0.0000 51940.0584 -109761.5540 298.5002 -161701.6124 -109394.8172 298.0127 -268.5977 -234.0620 765247.6500 -10.1827 -10.1191 PRESSURE: 1259200 252.07 -2.4282 -93.518 -2.42912 -208.539 -18.2486 -93.5182 -18.248 -156.799 GPRESSURE: 1259200 258.35 -40.6957 -42.6801 -5.90742 -122.748 -65.9697 -106.846 -138.744 -172.326 PRESSAVG: 1259200 -18.5062 -54.7825 -42.2952 -54.7824 11.6229 -11.7065 -42.2952 -11.7065 4.54178 GPRESSAVG: 1259200 -20.2082 -53.8127 -40.6104 -56.8644 12.6187 -10.9673 -43.4794 -13.3575 5.39853 TIMING: 1259200 CPU: 3929.89, 0.00311973/step Wall: 3929.89, 0.00311973/step, 3.24175 hours remaining, 234.253906 MB of memory in use. ENERGY: 1259200 4067.9066 20470.3413 14386.1571 264.8086 -203648.6035 3024.8657 0.0000 0.0000 51746.6190 -109687.9052 297.3885 -161434.5242 -109338.8270 298.3388 -37.7562 -12.2416 763646.4510 -0.7805 -0.7303 PRESSURE: 1259400 80.6171 -302.903 31.6952 -302.903 -162.507 -1.11014 31.6956 -1.10953 56.662 GPRESSURE: 1259400 164.29 -259.647 76.236 -213.656 -177.942 -17.9915 68.048 -47.46 42.8877 PRESSAVG: 1259400 69.6488 -14.4542 -28.1356 -14.4542 -72.1647 4.58256 -28.1356 4.58258 -23.0841 GPRESSAVG: 1259400 71.3351 -15.2891 -29.0193 -11.6917 -72.4981 3.91642 -25.2332 7.40878 -24.0424 TIMING: 1259400 CPU: 3930.51, 0.00311893/step Wall: 3930.51, 0.00311893/step, 3.24074 hours remaining, 234.253906 MB of memory in use. ENERGY: 1259400 3939.5389 20498.4628 14378.2629 238.8042 -203156.7774 2775.4830 0.0000 0.0000 51869.4457 -109456.7799 298.0944 -161326.2255 -109094.4125 298.4375 -8.4093 9.7453 762703.6047 -8.5333 -8.4018 PRESSURE: 1259600 -437.915 -110.909 -51.3711 -110.909 -76.9476 -7.72464 -51.3711 -7.72436 109.637 GPRESSURE: 1259600 -308.242 -94.2815 -28.5426 -154.169 -119.276 -110.263 -228.867 -159.386 119.502 PRESSAVG: 1259600 24.9022 -49.7377 -57.7909 -49.7377 -66.7244 9.43727 -57.7909 9.43734 -0.355826 GPRESSAVG: 1259600 25.6419 -49.184 -58.6539 -50.5252 -66.5887 7.58824 -60.1673 10.9881 -1.14311 TIMING: 1259600 CPU: 3931.14, 0.00314939/step Wall: 3931.14, 0.00314939/step, 3.27222 hours remaining, 234.253906 MB of memory in use. ENERGY: 1259600 3935.6705 20563.7087 14393.4955 230.8368 -202958.8786 2516.4512 0.0000 0.0000 51883.4412 -109435.2747 298.1748 -161318.7159 -109076.1897 298.4599 -135.0754 -102.6719 761725.9908 -14.0593 -14.0300 PRESSURE: 1259800 -152.609 108.969 -273.345 108.97 -24.3358 -151.363 -273.345 -151.362 -383.182 GPRESSURE: 1259800 -123.564 102.012 -224.235 122.565 33.0045 -156.962 -133.999 -27.5819 -386.949 PRESSAVG: 1259800 25.6784 -3.32871 -1.94595 -3.32878 -8.4204 -5.27329 -1.94593 -5.27328 0.612478 GPRESSAVG: 1259800 25.2894 -2.43368 -1.58687 -2.37447 -9.232 -2.7531 -1.3494 -7.59859 1.50996 TIMING: 1259800 CPU: 3931.77, 0.00313248/step Wall: 3931.77, 0.00313248/step, 3.25448 hours remaining, 234.253906 MB of memory in use. ENERGY: 1259800 4031.1885 20348.2281 14377.0741 258.3124 -203437.9283 3034.3426 0.0000 0.0000 52108.2048 -109280.5778 299.4666 -161388.7826 -108917.6891 299.0583 -186.7088 -159.1696 764612.4311 5.9568 5.8558 PRESSURE: 1260000 144.291 -29.0349 -126.825 -29.0348 255.984 -49.1281 -126.825 -49.1278 14.5032 GPRESSURE: 1260000 156.13 -19.7018 -192.805 -33.0708 291.063 44.7614 -209.599 91.9923 36.3534 PRESSAVG: 1260000 36.8002 -3.16546 -7.50563 -3.16548 -57.1277 -11.5997 -7.50561 -11.5996 -15.3427 GPRESSAVG: 1260000 37.1466 -4.88256 -4.60488 -2.42826 -57.0306 -11.1717 -8.4472 -10.0247 -16.8549 TIMING: 1260000 CPU: 3932.39, 0.00311484/step Wall: 3932.39, 0.00311485/step, 3.23598 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1260000 4026.9505 20472.2958 14411.7759 250.4575 -203484.8021 3080.3773 0.0000 0.0000 52086.0560 -109156.8890 299.3393 -161242.9451 -108804.7506 299.1571 138.2595 161.1821 762978.6171 -11.8900 -12.2463 PRESSURE: 1260200 115.235 84.5646 -73.9589 84.5643 -192.628 155.566 -73.9595 155.566 88.0714 GPRESSURE: 1260200 67.0458 45.8926 -160.026 -10.0011 -83.175 -20.7377 -21.3076 183.997 110.884 PRESSAVG: 1260200 55.5326 -5.06381 -34.7192 -5.0638 -11.7113 30.3537 -34.7192 30.3536 6.78793 GPRESSAVG: 1260200 54.5012 -6.59675 -36.2331 -5.44922 -11.4073 28.4793 -33.2464 30.2091 7.4852 TIMING: 1260200 CPU: 3933.02, 0.00311929/step Wall: 3933.02, 0.00311929/step, 3.24043 hours remaining, 234.253906 MB of memory in use. ENERGY: 1260200 4004.8873 20496.6854 14424.0674 233.0477 -203155.9292 2714.9101 0.0000 0.0000 51987.2132 -109295.1180 298.7712 -161282.3312 -108930.7891 298.9196 3.5593 31.5850 764137.6344 16.8698 16.8597 LDB: ============= START OF LOAD BALANCING ============== 3945.49 LDB: ============== END OF LOAD BALANCING =============== 3945.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3945.5 LDB: ============= START OF LOAD BALANCING ============== 3945.81 LDB: Largest compute 7007 load 0.028371 is 14.6% of average load 0.194910 LDB: Average compute 0.004379 is 2.2% of average load 0.194910 LDB: TIME 3945.81 LOAD: AVG 0.19491 MAX 0.21434 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.535 MB LDB: TIME 3945.81 LOAD: AVG 0.19491 MAX 0.21434 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.695 MB LDB: TIME 3945.81 LOAD: AVG 0.19491 MAX 0.21434 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.695 MB LDB: ============== END OF LOAD BALANCING =============== 3945.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3945.82 PRESSURE: 1260400 -190.217 -8.49361 141.023 -8.49343 -275.181 313.238 141.023 313.238 -293.904 GPRESSURE: 1260400 -228.11 -4.51901 56.058 -14.0641 -108.544 268.024 139.943 177.226 -335.389 PRESSAVG: 1260400 50.733 -1.15561 -40.1989 -1.15569 -42.4374 29.9062 -40.1989 29.9061 9.10754 GPRESSAVG: 1260400 52.2762 -0.816575 -39.9824 -2.6164 -42.5308 30.6165 -43.0932 30.3476 8.07286 TIMING: 1260400 CPU: 3933.65, 0.00319058/step Wall: 3933.65, 0.00319058/step, 3.3143 hours remaining, 234.050781 MB of memory in use. ENERGY: 1260400 4010.9231 20559.1790 14410.6376 235.7123 -203129.2171 2622.6915 0.0000 0.0000 52000.6734 -109289.4002 298.8486 -161290.0735 -108922.0080 298.7227 -253.1009 -224.0144 763072.8978 5.8011 5.9394 PRESSURE: 1260600 -58.3974 48.1041 -202.742 48.1035 -110.161 -111.266 -202.742 -111.266 20.351 GPRESSURE: 1260600 6.31259 42.6906 -183.43 116.764 -24.8892 -94.6892 -217.878 -134.092 -62.6589 PRESSAVG: 1260600 1.70672 45.4402 -40.9545 45.4402 10.4246 14.5406 -40.9546 14.5406 -10.197 GPRESSAVG: 1260600 1.67067 44.774 -41.5646 45.9182 10.6203 15.1288 -40.7331 13.44 -10.0913 TIMING: 1260600 CPU: 3934.28, 0.00312519/step Wall: 3934.28, 0.00312519/step, 3.2462 hours remaining, 234.253906 MB of memory in use. ENERGY: 1260600 3977.2600 20486.8017 14273.9418 246.3239 -203245.4426 2564.0680 0.0000 0.0000 52101.2752 -109595.7720 299.4267 -161697.0472 -109236.5561 298.7704 -49.4026 -27.0785 762430.5193 0.6447 0.7332 PRESSURE: 1260800 -165.371 -53.7715 -116.418 -53.7701 -2.76722 -71.7058 -116.419 -71.7061 107.425 GPRESSURE: 1260800 -95.7305 -163.415 -30.7473 -39.344 23.211 -87.5738 -70.6627 -80.0799 87.5294 PRESSAVG: 1260800 17.5874 58.9571 -7.54668 58.957 -26.8472 20.1452 -7.54665 20.1452 -4.0688 GPRESSAVG: 1260800 16.7779 58.5098 -8.17589 58.4238 -27.8471 20.6637 -6.81201 18.4609 -2.63688 TIMING: 1260800 CPU: 3934.9, 0.00312833/step Wall: 3934.9, 0.00312833/step, 3.24929 hours remaining, 234.253906 MB of memory in use. ENERGY: 1260800 3962.4536 20475.9290 14361.9647 235.3741 -203522.0153 2980.3377 0.0000 0.0000 52024.8557 -109481.1006 298.9876 -161505.9562 -109127.2174 298.1516 -20.2376 5.0033 761929.4898 -4.4429 -4.5687 PRESSURE: 1261000 71.8261 7.06058 -282.97 7.06015 -99.933 -76.6906 -282.97 -76.6912 -227.593 GPRESSURE: 1261000 26.5148 -20.2905 -229.972 53.9672 7.52197 9.79137 -282.577 -115.211 -204.273 PRESSAVG: 1261000 -33.9639 31.1896 -101.362 31.1896 32.2607 3.69668 -101.362 3.69664 8.20987 GPRESSAVG: 1261000 -33.7116 34.0542 -100.338 31.5355 32.9661 2.52458 -101.94 4.2642 7.2593 TIMING: 1261000 CPU: 3935.53, 0.00313868/step Wall: 3935.53, 0.00313868/step, 3.25986 hours remaining, 234.253906 MB of memory in use. ENERGY: 1261000 4056.0356 20400.1725 14445.6947 239.0624 -203508.0770 2956.0485 0.0000 0.0000 51987.8843 -109423.1790 298.7751 -161411.0634 -109070.5242 299.2391 -85.2334 -56.7454 762435.1724 2.1689 2.1713 PRESSURE: 1261200 149.687 352.752 -28.9989 352.751 163.373 57.6095 -28.998 57.6104 -148.094 GPRESSURE: 1261200 270.889 314.619 -56.652 342.005 74.3312 30.2958 -126.522 14.7346 -106.44 PRESSAVG: 1261200 33.4324 -2.03025 -26.1638 -2.03021 -31.6067 69.9463 -26.1638 69.9463 -26.8318 GPRESSAVG: 1261200 34.3475 -4.13248 -27.5344 -2.26379 -32.6244 69.83 -25.6464 71.1922 -26.8043 TIMING: 1261200 CPU: 3936.16, 0.0031208/step Wall: 3936.16, 0.0031208/step, 3.24113 hours remaining, 234.253906 MB of memory in use. ENERGY: 1261200 3985.8719 20387.9816 14406.9613 248.1881 -203170.7952 2677.5961 0.0000 0.0000 51942.9520 -109521.2443 298.5169 -161464.1962 -109161.0840 298.8155 54.9889 79.5934 763420.0860 -8.3354 -8.3604 PRESSURE: 1261400 -250.303 79.309 -36.6199 79.309 -359.8 -56.4734 -36.6202 -56.4735 78.4453 GPRESSURE: 1261400 -235.657 125.939 -6.89078 122.058 -296.924 -22.5552 66.6783 -98.1676 63.9816 PRESSAVG: 1261400 1.81664 -0.841742 -28.412 -0.841726 7.00646 27.4153 -28.412 27.4154 6.05262 GPRESSAVG: 1261400 1.29743 1.61288 -25.7382 -0.656276 7.98755 29.0487 -28.0998 25.0638 5.60417 TIMING: 1261400 CPU: 3936.78, 0.00311417/step Wall: 3936.78, 0.00311417/step, 3.23407 hours remaining, 234.253906 MB of memory in use. ENERGY: 1261400 4002.7159 20470.5345 14342.2256 244.9047 -202884.2797 2512.8971 0.0000 0.0000 51912.9770 -109398.0249 298.3446 -161311.0019 -109036.5397 298.3798 -177.2195 -156.1999 763886.0229 4.9586 4.9630 PRESSURE: 1261600 141.862 81.8597 -137.518 81.8592 236.41 -92.8245 -137.518 -92.8238 187.552 GPRESSURE: 1261600 161.803 127.163 -137.668 43.1782 274.52 -117.736 -9.47168 -96.8758 203.107 PRESSAVG: 1261600 -0.94751 -47.1322 -52.2568 -47.1322 -5.83763 40.0914 -52.2569 40.0913 -18.623 GPRESSAVG: 1261600 -2.1369 -47.4759 -55.4757 -47.5765 -5.4976 38.3273 -50.1132 41.2399 -17.2223 TIMING: 1261600 CPU: 3937.4, 0.00311767/step Wall: 3937.4, 0.00311767/step, 3.23753 hours remaining, 234.253906 MB of memory in use. ENERGY: 1261600 3964.6681 20502.2216 14395.9706 248.9615 -203456.6287 2916.2893 0.0000 0.0000 52112.7798 -109315.7378 299.4929 -161428.5176 -108942.3936 298.2536 188.6081 213.1435 763623.9286 -8.4694 -8.2856 PRESSURE: 1261800 225.943 51.9414 109.801 51.9418 -89.3604 -27.6077 109.8 -27.6069 71.1123 GPRESSURE: 1261800 274.996 -25.2419 115.28 -38.4477 -25.9587 39.1732 136.315 52.0382 33.2964 PRESSAVG: 1261800 50.9174 -27.4537 -29.915 -27.4537 -44.7715 33.4565 -29.915 33.4564 5.43929 GPRESSAVG: 1261800 51.4173 -27.9099 -27.6941 -27.3162 -44.5801 35.5886 -30.3353 33.7369 4.33702 TIMING: 1261800 CPU: 3938.03, 0.00312862/step Wall: 3938.03, 0.00312862/step, 3.24872 hours remaining, 234.253906 MB of memory in use. ENERGY: 1261800 3934.8454 20518.7988 14345.4344 244.5017 -203325.0785 2849.0192 0.0000 0.0000 52318.1988 -109114.2802 300.6734 -161432.4789 -108747.4006 299.1622 69.2318 94.1112 763384.5240 3.8618 3.7247 PRESSURE: 1262000 145.099 -1.86656 -64.5263 -1.8664 -399.311 11.088 -64.5266 11.0883 113.617 GPRESSURE: 1262000 83.8877 70.5026 -132.842 -53.302 -205.635 -28.6252 -133.016 -21.2823 60.4104 PRESSAVG: 1262000 -11.3787 6.97104 0.829077 6.97102 44.5486 7.90496 0.829119 7.90492 15.3641 GPRESSAVG: 1262000 -12.337 6.828 1.70087 5.00379 44.4774 5.20291 -1.05393 7.09028 16.7147 TIMING: 1262000 CPU: 3938.65, 0.00312014/step Wall: 3938.65, 0.00312014/step, 3.23975 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1262000 4068.6036 20609.4926 14426.7344 233.7723 -203180.9658 2578.3178 0.0000 0.0000 52290.1586 -108973.8865 300.5123 -161264.0451 -108621.0316 299.8545 -46.8648 -20.4455 762078.9883 16.1780 16.2850 PRESSURE: 1262200 2.20977 140.092 -167.703 140.092 -70.413 -80.2464 -167.704 -80.2466 251.624 GPRESSURE: 1262200 56.7891 139.108 -106.988 138.118 -45.4586 -11.1121 -241.646 -19.1181 270.878 PRESSAVG: 1262200 57.2597 30.5004 -4.06515 30.5004 -59.0309 20.6285 -4.06512 20.6285 -18.7419 GPRESSAVG: 1262200 58.243 31.6058 -5.30918 32.1171 -59.7214 21.6611 -2.74165 21.7712 -18.8248 TIMING: 1262200 CPU: 3939.28, 0.00314795/step Wall: 3939.28, 0.00314795/step, 3.26845 hours remaining, 234.253906 MB of memory in use. ENERGY: 1262200 3960.8390 20485.9204 14356.4808 268.9363 -203108.2706 2789.5971 0.0000 0.0000 52368.5961 -108877.9009 300.9630 -161246.4970 -108513.9350 299.7821 61.1401 94.0694 763777.4494 -6.8377 -6.7678 PRESSURE: 1262400 71.5011 -164.242 -170.09 -164.242 -307.223 72.0208 -170.09 72.0207 -190.569 GPRESSURE: 1262400 123.03 -70.7591 -242.069 -176.185 -325.366 71.334 -163.984 98.8284 -155.513 PRESSAVG: 1262400 18.3958 2.25155 -11.6173 2.25154 20.6498 44.026 -11.6173 44.0259 -10.1192 GPRESSAVG: 1262400 18.0914 0.0106808 -10.0217 3.61594 21.7974 44.3526 -13.6217 44.2457 -10.5863 TIMING: 1262400 CPU: 3939.91, 0.00313136/step Wall: 3939.91, 0.00313136/step, 3.25105 hours remaining, 234.253906 MB of memory in use. ENERGY: 1262400 4017.6818 20572.2283 14371.7767 241.0464 -203237.0272 2853.1012 0.0000 0.0000 52161.8724 -109019.3204 299.7750 -161181.1928 -108657.2417 299.9893 -142.0972 -119.2828 761652.2851 9.6421 9.7675 PRESSURE: 1262600 34.8219 -52.8979 -17.711 -52.8972 409.801 182.042 -17.7109 182.041 10.2567 GPRESSURE: 1262600 70.7426 -32.7917 18.8269 -94.0505 412.114 198.496 -66.132 232.919 47.902 PRESSAVG: 1262600 -6.78383 -2.09734 -28.723 -2.09735 -12.8953 74.9867 -28.723 74.9866 37.9712 GPRESSAVG: 1262600 -6.55662 -0.524712 -31.6111 -3.65237 -15.1515 75.0967 -26.1511 74.0496 39.39 TIMING: 1262600 CPU: 3940.53, 0.00312216/step Wall: 3940.53, 0.00312216/step, 3.24132 hours remaining, 234.253906 MB of memory in use. ENERGY: 1262600 4052.2246 20612.9406 14373.3020 238.8836 -203355.7693 2943.5398 0.0000 0.0000 52055.0366 -109079.8420 299.1610 -161134.8786 -108729.7657 299.9025 151.6265 176.9195 761180.6369 6.0974 5.8940 PRESSURE: 1262800 98.7802 -39.9633 119.253 -39.9629 -298.106 319.134 119.253 319.133 37.9244 GPRESSURE: 1262800 169.752 -190.519 118.164 -16.4432 -284.641 254.494 50.9368 235.921 38.6746 PRESSAVG: 1262800 56.5288 36.267 -56.8388 36.267 -26.9024 3.9418 -56.8387 3.94183 9.20285 GPRESSAVG: 1262800 54.5232 34.12 -56.8053 37.5254 -25.3405 1.09351 -55.7819 4.19701 9.65538 TIMING: 1262800 CPU: 3941.16, 0.00311712/step Wall: 3941.16, 0.00311712/step, 3.23592 hours remaining, 234.253906 MB of memory in use. ENERGY: 1262800 3923.1928 20610.9186 14391.3927 236.2417 -203001.0716 2541.5814 0.0000 0.0000 52278.2146 -109019.5299 300.4436 -161297.7445 -108654.7300 299.4136 -53.8004 -25.4045 762866.7544 12.9431 12.9460 PRESSURE: 1263000 -92.7344 99.5957 86.0405 99.5958 -282.825 123.874 86.0404 123.874 -300.668 GPRESSURE: 1263000 -90.1932 166.749 157.864 -1.10792 -155.609 50.6656 78.5996 179.296 -347.751 PRESSAVG: 1263000 7.93882 3.14234 59.7009 3.14233 -29.3896 1.88687 59.701 1.88687 -5.51791 GPRESSAVG: 1263000 9.97819 3.73642 59.5163 2.69853 -29.6005 3.44731 58.914 3.34664 -7.52056 TIMING: 1263000 CPU: 3941.78, 0.00312087/step Wall: 3941.78, 0.00312087/step, 3.23963 hours remaining, 234.253906 MB of memory in use. ENERGY: 1263000 3933.5719 20503.0137 14389.7121 249.8493 -203026.1257 2746.1468 0.0000 0.0000 52123.5567 -109080.2751 299.5548 -161203.8318 -108706.7878 299.5940 -225.4093 -197.8511 763604.0353 -8.9896 -9.0476 PRESSURE: 1263200 -149.077 36.7172 130.716 36.7171 498.864 -4.82739 130.716 -4.82801 56.8887 GPRESSURE: 1263200 -160.094 53.96 256.4 53.2342 441.343 13.6479 35.7247 26.6934 214.4 PRESSAVG: 1263200 -7.65344 57.3066 11.027 57.3066 26.3042 11.6673 11.027 11.6673 -4.98581 GPRESSAVG: 1263200 -6.83299 57.9775 13.9888 55.7982 25.588 12.8474 8.42265 9.63841 -5.22116 TIMING: 1263200 CPU: 3942.4, 0.0031226/step Wall: 3942.4, 0.0031226/step, 3.24126 hours remaining, 234.253906 MB of memory in use. ENERGY: 1263200 3936.4236 20478.4416 14453.7516 249.7406 -202912.4102 2688.4624 0.0000 0.0000 52115.7919 -108989.7985 299.5102 -161105.5904 -108613.8446 299.5444 135.5586 165.2162 764172.4802 4.5550 4.5113 PRESSURE: 1263400 -208.657 -66.2652 -56.8371 -66.2661 149.477 173.165 -56.8364 173.166 365.542 GPRESSURE: 1263400 -101.748 -101.737 -178.304 -111.662 229.983 71.6205 21.286 235.911 265.433 PRESSAVG: 1263400 -25.4108 -10.0334 -8.9838 -10.0334 28.9164 8.59134 -8.98382 8.5913 -17.2378 GPRESSAVG: 1263400 -25.8407 -11.0785 -11.1463 -8.78708 29.4159 7.19223 -5.2801 10.4205 -17.8715 TIMING: 1263400 CPU: 3943.03, 0.00311525/step Wall: 3943.03, 0.00311525/step, 3.23345 hours remaining, 234.253906 MB of memory in use. ENERGY: 1263400 3989.2157 20583.2497 14326.9927 230.7827 -203107.6454 2681.0357 0.0000 0.0000 52208.0150 -109088.3539 300.0402 -161296.3689 -108736.3933 299.4244 102.1210 131.2226 762142.9564 -4.5774 -4.7654 PRESSURE: 1263600 -85.4033 134.538 148.764 134.539 -218.919 -145.504 148.764 -145.504 275.179 GPRESSURE: 1263600 -92.3939 153.421 125.652 114.007 -96.3593 -84.3903 51.49 -110.422 234.897 PRESSAVG: 1263600 -3.70499 17.2442 -3.79636 17.2443 -19.5366 -4.22792 -3.79636 -4.22788 2.78421 GPRESSAVG: 1263600 -4.6641 17.9225 -2.2077 17.5912 -19.7716 -2.72901 -5.37162 -5.6138 4.32537 TIMING: 1263600 CPU: 3943.65, 0.00313143/step Wall: 3943.65, 0.00313143/step, 3.25007 hours remaining, 234.253906 MB of memory in use. ENERGY: 1263600 3963.9477 20428.5572 14421.7864 253.7448 -203304.0317 2799.8229 0.0000 0.0000 52030.2985 -109405.8741 299.0188 -161436.1726 -109045.3442 299.1929 -9.7142 15.3812 763086.1812 -6.8191 -6.7035 PRESSURE: 1263800 -82.3143 -233.74 223.388 -233.741 -83.6896 55.5123 223.388 55.5122 -419.191 GPRESSURE: 1263800 -38.6564 -189.902 259.362 -182.853 -100.087 141.337 253.443 152.467 -351.129 PRESSAVG: 1263800 2.25279 8.53916 14.8058 8.53922 -44.1714 18.4736 14.8058 18.4735 6.47101 GPRESSAVG: 1263800 3.05313 9.30482 14.2587 7.32759 -44.833 19.464 14.3601 21.192 6.56653 TIMING: 1263800 CPU: 3944.28, 0.00313541/step Wall: 3944.28, 0.00313541/step, 3.25404 hours remaining, 234.253906 MB of memory in use. ENERGY: 1263800 4012.1941 20346.8750 14446.3054 232.3352 -203708.7343 2944.8222 0.0000 0.0000 52223.0165 -109503.1858 300.1264 -161726.2023 -109129.3758 298.9286 -195.0651 -163.2907 759970.2328 -11.8159 -11.7378 PRESSURE: 1264000 378.983 86.54 32.5245 86.5395 527.686 104.833 32.5245 104.832 42.6276 GPRESSURE: 1264000 352.853 204.394 -41.5728 106.57 557.236 130.747 149.107 -110.21 120.173 PRESSAVG: 1264000 46.9579 -13.9816 48.3382 -13.9816 -10.043 18.4314 48.3382 18.4315 2.10493 GPRESSAVG: 1264000 46.5924 -12.5937 48.6682 -13.3986 -9.23349 17.7029 48.9843 15.4379 1.36056 TIMING: 1264000 CPU: 3944.9, 0.00310953/step Wall: 3944.9, 0.00310953/step, 3.227 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1264000 3953.3963 20485.5416 14383.1422 254.5518 -203460.3027 2936.2414 0.0000 0.0000 52061.1326 -109386.2969 299.1960 -161447.4295 -109020.4570 298.9851 316.4322 343.4208 761291.6529 13.0066 12.9065 PRESSURE: 1264200 -115.47 216.178 -111.118 216.179 -136.045 81.5394 -111.118 81.54 188.467 GPRESSURE: 1264200 -172.507 146.908 -98.7985 160.507 18.843 86.0757 -203.403 -9.29779 179.99 PRESSAVG: 1264200 -26.3478 22.4318 8.47135 22.4319 -11.6955 -10.4211 8.47142 -10.4211 -12.2879 GPRESSAVG: 1264200 -26.6464 21.0642 9.31722 21.3039 -11.5151 -10.1346 8.03042 -8.59424 -11.9697 TIMING: 1264200 CPU: 3945.52, 0.00310199/step Wall: 3945.52, 0.00310199/step, 3.21901 hours remaining, 234.253906 MB of memory in use. ENERGY: 1264200 3864.8221 20490.9071 14410.3571 253.0097 -203076.7846 2691.2215 0.0000 0.0000 51993.5895 -109372.8776 298.8079 -161366.4671 -109012.6801 298.5444 -21.0159 8.7753 763173.8523 -16.7771 -16.7104 LDB: ============= START OF LOAD BALANCING ============== 3958 LDB: ============== END OF LOAD BALANCING =============== 3958 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3958 LDB: ============= START OF LOAD BALANCING ============== 3958.32 LDB: Largest compute 7007 load 0.029079 is 14.9% of average load 0.195089 LDB: Average compute 0.004377 is 2.2% of average load 0.195089 LDB: TIME 3958.32 LOAD: AVG 0.195089 MAX 0.212159 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.051 MB LDB: TIME 3958.32 LOAD: AVG 0.195089 MAX 0.212159 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.055 MB LDB: TIME 3958.32 LOAD: AVG 0.195089 MAX 0.212159 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.055 MB LDB: ============== END OF LOAD BALANCING =============== 3958.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3958.33 PRESSURE: 1264400 29.2213 -13.3915 71.3227 -13.3925 -213.332 30.1375 71.3222 30.1378 335.902 GPRESSURE: 1264400 102.37 -48.9974 -16.1383 -0.760646 -164.068 -20.9926 76.5003 28.1759 314.808 PRESSAVG: 1264400 15.0648 -11.7754 16.6029 -11.7754 -1.85036 2.65014 16.6029 2.65017 12.3196 GPRESSAVG: 1264400 15.3563 -12.7399 14.2886 -10.3324 -1.08525 2.05213 17.3529 0.374357 12.2673 TIMING: 1264400 CPU: 3946.16, 0.00319257/step Wall: 3946.16, 0.00319257/step, 3.31282 hours remaining, 236.621094 MB of memory in use. ENERGY: 1264400 4080.9958 20545.8432 14373.8508 243.7051 -203101.5964 2769.6001 0.0000 0.0000 52000.5240 -109087.0773 298.8477 -161087.6013 -108724.9083 299.3355 50.5971 84.3701 762158.8834 8.5114 8.8461 PRESSURE: 1264600 105.932 -227.823 108.803 -227.823 -108.656 -156.887 108.803 -156.888 -224.556 GPRESSURE: 1264600 143.705 -191.189 65.4727 -173.982 -169.283 -115.325 126.123 -148.577 -143.405 PRESSAVG: 1264600 -27.8311 23.7916 9.59481 23.7916 -15.5501 3.18455 9.59482 3.18455 -46.7732 GPRESSAVG: 1264600 -25.5916 26.5486 10.232 25.2581 -17.287 4.71017 8.16353 3.74614 -47.7931 TIMING: 1264600 CPU: 3946.79, 0.00311765/step Wall: 3946.79, 0.00311765/step, 3.23491 hours remaining, 236.621094 MB of memory in use. ENERGY: 1264600 3965.6123 20421.9297 14336.3278 239.6087 -203184.7177 2808.0236 0.0000 0.0000 52179.5325 -109233.6832 299.8765 -161413.2157 -108861.7180 299.0155 -75.7598 -56.3278 762717.4699 -30.0515 -30.2239 PRESSURE: 1264800 70.0628 43.171 -249.641 43.1721 -190.046 -15.0536 -249.641 -15.0542 -104.556 GPRESSURE: 1264800 44.4409 66.5251 -241.329 -37.2359 -136.142 -44.8839 -228.444 51.6426 -54.0489 PRESSAVG: 1264800 46.3652 25.9089 -30.2877 25.9089 -30.7657 11.1747 -30.2877 11.1748 -10.4289 GPRESSAVG: 1264800 44.1288 22.9152 -29.6627 24.8623 -29.8517 9.51398 -29.937 12.0129 -8.73636 TIMING: 1264800 CPU: 3947.41, 0.0031277/step Wall: 3947.41, 0.0031277/step, 3.24517 hours remaining, 236.878906 MB of memory in use. ENERGY: 1264800 3894.6827 20637.7964 14380.7776 247.9105 -203402.8477 2894.9213 0.0000 0.0000 51966.6991 -109380.0601 298.6533 -161346.7592 -109021.2230 299.3428 -74.8465 -48.5833 762330.9182 1.7235 1.8469 PRESSURE: 1265000 231.172 -58.8717 -112.088 -58.8717 23.3764 153.615 -112.089 153.615 -53.0853 GPRESSURE: 1265000 185.421 26.3192 -69.1063 -103.369 98.6475 174.633 -42.7369 87.8978 1.54757 PRESSAVG: 1265000 1.73782 -61.9716 31.4311 -61.9715 -15.0676 27.84 31.4311 27.8401 -23.6384 GPRESSAVG: 1265000 2.45654 -59.411 31.0703 -62.9788 -15.3214 28.8722 33.1418 29.4266 -24.3634 TIMING: 1265000 CPU: 3948.04, 0.00314195/step Wall: 3948.04, 0.00314195/step, 3.25978 hours remaining, 236.878906 MB of memory in use. ENERGY: 1265000 3951.6138 20387.6655 14400.6965 246.8740 -203334.9242 2861.9898 0.0000 0.0000 52072.7791 -109413.3055 299.2630 -161486.0845 -109053.4792 298.8983 67.1545 95.2053 761409.9152 -12.3227 -12.4094 PRESSURE: 1265200 -315.532 99.0506 52.8126 99.0503 -163.412 129.282 52.8119 129.283 -631.191 GPRESSURE: 1265200 -229.809 0.952503 42.0635 164.14 -120.046 111.232 144.72 -30.397 -680.987 PRESSAVG: 1265200 -0.99318 -23.3433 51.1757 -23.3433 22.9267 59.7727 51.1757 59.7727 -13.943 GPRESSAVG: 1265200 -1.42953 -25.5914 51.8458 -22.2868 22.6185 58.1593 50.986 59.0225 -12.8215 TIMING: 1265200 CPU: 3948.66, 0.0031245/step Wall: 3948.66, 0.0031245/step, 3.2415 hours remaining, 236.878906 MB of memory in use. ENERGY: 1265200 3990.7682 20487.9655 14322.5759 246.5003 -202961.1587 2487.3270 0.0000 0.0000 51901.8579 -109524.1638 298.2807 -161426.0218 -109173.8957 299.0320 -370.0450 -343.6141 763545.9532 2.6635 2.7892 PRESSURE: 1265400 -80.8109 167.959 155.651 167.959 262.287 430.483 155.651 430.484 186.245 GPRESSURE: 1265400 93.7556 181.258 80.0929 68.5825 200.418 393.035 201.965 391.589 157.831 PRESSAVG: 1265400 5.00815 10.9001 51.2199 10.9001 42.9538 -3.46184 51.2199 -3.4619 5.8396 GPRESSAVG: 1265400 6.5063 11.9111 50.5368 9.88939 43.4178 -3.79534 52.2787 -2.68216 3.8711 TIMING: 1265400 CPU: 3949.29, 0.00311639/step Wall: 3949.29, 0.00311639/step, 3.23291 hours remaining, 236.878906 MB of memory in use. ENERGY: 1265400 3980.6147 20495.6813 14371.3123 243.4444 -203273.1411 2755.9016 0.0000 0.0000 51911.1954 -109514.9914 298.3344 -161426.1867 -109154.8530 298.9067 122.5737 150.6681 762324.0479 17.9338 17.9317 PRESSURE: 1265600 -125.42 73.3207 60.7364 73.3213 -207.242 -190.577 60.7356 -190.576 -309.765 GPRESSURE: 1265600 -151.761 32.2454 -81.3477 99.4137 -136.667 -231.231 63.9725 -191.081 -282.057 PRESSAVG: 1265600 3.0162 35.3928 -12.1835 35.3929 -17.8397 29.8389 -12.1835 29.8389 -6.58127 GPRESSAVG: 1265600 2.72317 33.5918 -11.8669 35.5969 -18.1475 29.5491 -13.7757 28.8728 -6.00815 TIMING: 1265600 CPU: 3949.91, 0.00312273/step Wall: 3949.91, 0.00312273/step, 3.23931 hours remaining, 236.878906 MB of memory in use. ENERGY: 1265600 3963.4581 20515.2199 14496.0865 244.4863 -203273.3071 2545.4858 0.0000 0.0000 52182.0488 -109326.5216 299.8910 -161508.5703 -108960.7835 298.7537 -214.1424 -190.1618 762945.6439 -7.1349 -7.1442 PRESSURE: 1265800 -78.7671 -284.306 129.11 -284.306 -18.7973 37.754 129.11 37.7555 279.475 GPRESSURE: 1265800 -10.8568 -286.66 173.342 -310.412 -36.0752 99.9031 54.7128 20.576 304.433 PRESSAVG: 1265800 23.0244 -18.3582 -2.65025 -18.3582 6.48256 2.65075 -2.65028 2.6507 4.07698 GPRESSAVG: 1265800 23.0507 -16.4057 -0.643763 -19.6781 6.90052 4.02788 -2.87952 1.44772 3.7951 TIMING: 1265800 CPU: 3950.54, 0.00313496/step Wall: 3950.54, 0.00313496/step, 3.25182 hours remaining, 236.878906 MB of memory in use. ENERGY: 1265800 3970.7393 20645.6133 14457.1425 259.0303 -203292.2330 2858.4094 0.0000 0.0000 51764.4385 -109336.8597 297.4909 -161101.2982 -108993.6217 299.2071 60.6368 85.8337 761158.1291 11.1946 11.2488 PRESSURE: 1266000 -161.497 108.833 -56.107 108.833 9.05945 -242.869 -56.1068 -242.869 -67.8325 GPRESSURE: 1266000 -75.9488 179.416 11.8049 147.173 -28.4236 -263.999 -116.737 -181.326 -38.6977 PRESSAVG: 1266000 -5.59072 -61.1037 2.34087 -61.1036 5.57042 28.179 2.34088 28.1791 3.94532 GPRESSAVG: 1266000 -6.63947 -61.5898 0.922421 -59.1513 6.10194 27.4059 3.99539 30.3788 4.8585 TIMING: 1266000 CPU: 3951.17, 0.0031288/step Wall: 3951.17, 0.0031288/step, 3.24526 hours remaining, 236.878906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1266000 4150.3810 20591.3083 14395.5818 242.8290 -203249.4584 2636.6892 0.0000 0.0000 51925.2210 -109307.4481 298.4150 -161232.6691 -108951.8707 298.7359 -73.4234 -47.6900 762460.7253 1.3083 1.4403 PRESSURE: 1266200 327.766 -22.2047 -150.649 -22.2048 117.326 47.4874 -150.648 47.4868 121.751 GPRESSURE: 1266200 351.517 -62.9729 -145.132 -123.785 134.889 108.539 -96.1793 7.59947 167.827 PRESSAVG: 1266200 17.369 -12.2605 29.929 -12.2605 -12.6438 -42.8497 29.9289 -42.8498 -1.11093 GPRESSAVG: 1266200 18.006 -10.7339 31.6209 -15.0336 -12.9047 -42.253 27.4925 -45.7729 -1.78305 TIMING: 1266200 CPU: 3951.79, 0.00313095/step Wall: 3951.79, 0.00313095/step, 3.24732 hours remaining, 236.878906 MB of memory in use. ENERGY: 1266200 4020.2183 20535.9734 14456.4686 242.8742 -203681.1129 3032.5082 0.0000 0.0000 51981.7470 -109411.3233 298.7398 -161393.0703 -109051.2346 298.5661 188.9480 218.0776 761878.4264 1.2048 1.1061 PRESSURE: 1266400 249.598 -194.382 -27.3453 -194.383 173.964 -159.844 -27.3458 -159.844 180.784 GPRESSURE: 1266400 112.283 -161.904 -32.971 -229.034 269.014 -123.267 -32.9254 -170.633 303.895 PRESSAVG: 1266400 3.49057 -19.9872 10.6415 -19.9873 -73.0588 -18.1674 10.6415 -18.1673 -9.35326 GPRESSAVG: 1266400 2.94121 -21.2305 8.49788 -17.6994 -73.9725 -17.4355 11.3874 -15.7873 -7.81297 TIMING: 1266400 CPU: 3952.42, 0.00313098/step Wall: 3952.42, 0.00313098/step, 3.24718 hours remaining, 236.878906 MB of memory in use. ENERGY: 1266400 3995.2418 20545.7457 14376.3404 242.7317 -203329.8807 2790.4101 0.0000 0.0000 51932.2316 -109447.1793 298.4552 -161379.4109 -109084.5237 299.0072 201.4489 228.3973 762635.9006 -26.3072 -26.2814 PRESSURE: 1266600 -20.9619 133.803 298.585 133.803 -213.707 170.813 298.587 170.813 336.111 GPRESSURE: 1266600 -64.3496 91.8088 295.02 139.318 -118.435 164.674 208.941 189.371 354.802 PRESSAVG: 1266600 60.4088 13.5911 -43.3733 13.591 -16.727 3.36277 -43.3733 3.36275 9.09684 GPRESSAVG: 1266600 61.0556 13.9772 -43.8147 13.4645 -15.3317 2.8292 -43.1434 4.87352 7.49832 TIMING: 1266600 CPU: 3953.05, 0.00313882/step Wall: 3953.05, 0.00313882/step, 3.25513 hours remaining, 236.878906 MB of memory in use. ENERGY: 1266600 4029.4873 20591.5802 14441.3923 265.7408 -203385.4340 2701.0538 0.0000 0.0000 51876.4817 -109479.6979 298.1349 -161356.1796 -109120.9963 299.1465 33.8138 57.3392 762633.1765 17.5929 17.7407 PRESSURE: 1266800 28.2035 -60.1517 81.6162 -60.153 -401.361 -181.374 81.6152 -181.373 -364.002 GPRESSURE: 1266800 102.51 -17.5032 60.9369 -77.6284 -389.083 -150.607 107.124 -208.093 -360.453 PRESSAVG: 1266800 -1.82867 -4.66823 22.0475 -4.66825 -3.60652 43.5002 22.0475 43.5001 15.1801 GPRESSAVG: 1266800 -1.29556 -4.08006 21.5042 -4.96228 -4.26291 43.0561 22.6899 41.1184 15.2816 TIMING: 1266800 CPU: 3953.67, 0.0031189/step Wall: 3953.67, 0.00311891/step, 3.2343 hours remaining, 236.878906 MB of memory in use. ENERGY: 1266800 4009.0583 20327.8671 14443.7159 256.9994 -203267.8920 2474.9338 0.0000 0.0000 52207.0845 -109548.2331 300.0348 -161755.3176 -109178.5249 298.9914 -245.7198 -215.6753 761471.5345 3.2483 3.2410 PRESSURE: 1267000 -111.204 -102.102 413.65 -102.102 -54.1953 158.187 413.65 158.187 92.549 GPRESSURE: 1267000 -155.681 -89.9775 480.394 -95.2679 76.458 90.907 482.653 80.7348 101.382 PRESSAVG: 1267000 25.2797 -55.3962 8.7911 -55.3961 -20.0356 -25.2891 8.79111 -25.2891 9.3056 GPRESSAVG: 1267000 24.0026 -55.7151 9.82668 -56.8531 -19.1319 -24.0122 9.24623 -27.2932 10.1392 TIMING: 1267000 CPU: 3954.3, 0.00313598/step Wall: 3954.3, 0.00313598/step, 3.25183 hours remaining, 236.878906 MB of memory in use. ENERGY: 1267000 3944.4818 20486.1608 14368.4517 247.9330 -203657.2627 2878.5985 0.0000 0.0000 52459.5753 -109272.0616 301.4859 -161731.6370 -108906.0034 298.8457 -24.2833 7.3866 761465.9055 4.8499 5.0033 PRESSURE: 1267200 285.163 -230.463 -23.6773 -230.462 232.007 -8.95415 -23.6775 -8.9521 128.78 GPRESSURE: 1267200 366.735 -215.066 14.7036 -100.569 316.575 -69.5455 -76.2587 16.1823 43.6548 PRESSAVG: 1267200 -15.749 -29.0906 52.474 -29.0906 23.5009 -11.9461 52.474 -11.946 -2.5165 GPRESSAVG: 1267200 -14.6148 -30.3272 51.8221 -26.8789 22.706 -11.1106 52.4354 -10.3237 -2.96082 TIMING: 1267200 CPU: 3954.93, 0.00315456/step Wall: 3954.93, 0.00315456/step, 3.27093 hours remaining, 236.878906 MB of memory in use. ENERGY: 1267200 3974.6560 20445.6737 14437.3783 245.0940 -203641.6954 3203.4120 0.0000 0.0000 52161.5840 -109173.8974 299.7733 -161335.4814 -108816.9785 299.6106 215.3167 242.3216 762975.1658 1.7451 1.7101 PRESSURE: 1267400 62.9511 -10.1124 -57.8177 -10.1124 -272.688 186.876 -57.8174 186.875 -155.935 GPRESSURE: 1267400 16.6878 44.5281 -152.36 -126.954 -157.932 195.241 101.075 50.4435 -133.389 PRESSAVG: 1267400 79.4294 -39.6158 -6.52808 -39.6159 -68.0013 15.1218 -6.52807 15.1218 6.8484 GPRESSAVG: 1267400 79.2203 -38.1156 -7.56963 -41.9487 -67.764 12.9866 -6.52396 15.3094 6.90002 TIMING: 1267400 CPU: 3955.56, 0.00314776/step Wall: 3955.56, 0.00314776/step, 3.2637 hours remaining, 236.878906 MB of memory in use. ENERGY: 1267400 3987.7080 20554.3700 14436.0357 270.0995 -202910.3218 2375.5946 0.0000 0.0000 52067.0514 -109219.4624 299.2301 -161286.5138 -108856.6185 299.6700 -121.8906 -91.5444 762231.8725 6.0922 6.1188 PRESSURE: 1267600 -148.758 129.158 63.662 129.159 -70.6669 -18.208 63.661 -18.2076 -117.802 GPRESSURE: 1267600 -153.114 110.426 130.366 95.7396 -53.2095 -14.7529 72.5772 -6.69473 -51.1389 PRESSAVG: 1267600 25.7979 10.6809 32.5501 10.6809 9.49043 -30.1415 32.5501 -30.1415 5.1145 GPRESSAVG: 1267600 25.2603 9.7943 35.3791 11.9063 9.49665 -29.3889 32.6551 -28.7292 5.38012 TIMING: 1267600 CPU: 3956.19, 0.0031482/step Wall: 3956.19, 0.0031482/step, 3.26398 hours remaining, 236.878906 MB of memory in use. ENERGY: 1267600 3978.1051 20618.2422 14342.0099 239.4899 -203404.0084 2653.6091 0.0000 0.0000 52113.4232 -109459.1291 299.4966 -161572.5523 -109100.2357 298.9138 -112.4092 -85.8210 761440.4471 13.4676 13.3790 PRESSURE: 1267800 47.7112 128.123 -47.9981 128.124 245.882 54.7234 -47.9984 54.7232 -21.5807 GPRESSURE: 1267800 84.7137 60.5054 -31.646 66.3086 267.102 -38.0866 -175.216 36.1033 10.0088 PRESSAVG: 1267800 8.854 -11.4017 48.7033 -11.4017 -25.6932 -25.2487 48.7032 -25.2486 11.0354 GPRESSAVG: 1267800 9.36474 -11.8487 47.7184 -10.8213 -26.0116 -25.6711 48.2742 -26.836 11.0968 TIMING: 1267800 CPU: 3956.81, 0.00313671/step Wall: 3956.81, 0.00313671/step, 3.2519 hours remaining, 236.878906 MB of memory in use. ENERGY: 1267800 3938.1016 20458.5618 14441.7382 249.7636 -203515.7492 2902.4140 0.0000 0.0000 51712.1076 -109813.0624 297.1902 -161525.1699 -109448.4246 298.1302 90.6709 120.6082 761923.3382 -1.9346 -1.8500 PRESSURE: 1268000 430.699 51.5888 -205.791 51.5886 -289.445 97.1197 -205.791 97.1203 -5.90819 GPRESSURE: 1268000 357.059 151.117 -185.676 24.9951 -157.864 27.7787 -97.3603 185.976 15.2731 PRESSAVG: 1268000 74.0565 -47.3017 -10.2992 -47.3017 -35.4578 22.1953 -10.2993 22.1953 7.04696 GPRESSAVG: 1268000 72.3176 -46.9574 -9.98711 -48.2367 -34.2706 22.756 -12.978 21.9995 7.37024 TIMING: 1268000 CPU: 3957.44, 0.00313487/step Wall: 3957.44, 0.00313487/step, 3.24982 hours remaining, 236.878906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1268000 3908.8534 20485.1852 14520.0404 249.0926 -203437.5292 2733.4326 0.0000 0.0000 51770.6711 -109770.2538 297.5268 -161540.9249 -109410.8035 298.4236 45.1150 71.4893 762167.7622 15.2152 15.1391 PRESSURE: 1268200 -276.984 -116.846 -80.4738 -116.846 -18.6139 -182.687 -80.4741 -182.687 251.305 GPRESSURE: 1268200 -145.426 -47.7252 -101.47 -82.9874 -86.6907 -65.3609 -87.7796 -246.189 277.329 PRESSAVG: 1268200 -1.85048 -67.9997 6.36451 -67.9998 -31.7195 39.0145 6.36444 39.0145 -12.5327 GPRESSAVG: 1268200 -0.933757 -67.4488 6.78617 -67.582 -31.9055 39.7685 8.4199 38.4672 -13.6657 TIMING: 1268200 CPU: 3958.06, 0.00311801/step Wall: 3958.06, 0.00311801/step, 3.23216 hours remaining, 236.878906 MB of memory in use. ENERGY: 1268200 3948.4648 20536.6073 14449.6781 251.2109 -203357.5465 2625.5560 0.0000 0.0000 51782.1596 -109763.8699 297.5928 -161546.0294 -109401.2648 297.9238 -14.7645 15.0710 761826.5121 -15.3676 -15.5016 LDB: ============= START OF LOAD BALANCING ============== 3970.54 LDB: ============== END OF LOAD BALANCING =============== 3970.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3970.54 LDB: ============= START OF LOAD BALANCING ============== 3970.86 LDB: Largest compute 7052 load 0.029609 is 15.2% of average load 0.195046 LDB: Average compute 0.004378 is 2.2% of average load 0.195046 LDB: TIME 3970.86 LOAD: AVG 0.195046 MAX 0.211769 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.52 MB LDB: TIME 3970.86 LOAD: AVG 0.195046 MAX 0.211769 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.52 MB LDB: TIME 3970.86 LOAD: AVG 0.195046 MAX 0.211769 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.52 MB LDB: ============== END OF LOAD BALANCING =============== 3970.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3970.87 PRESSURE: 1268400 72.1424 -93.5025 -32.6105 -93.5022 137.086 -13.9731 -32.6112 -13.9737 232.967 GPRESSURE: 1268400 113.09 70.0059 57.1571 -81.2663 146.721 -108.251 -56.042 -3.60457 269.689 PRESSAVG: 1268400 -56.4472 -20.8654 -6.97208 -20.8653 32.6383 -20.3827 -6.9721 -20.3827 7.69831 GPRESSAVG: 1268400 -56.5693 -21.3195 -6.11804 -19.9085 32.2888 -22.5061 -7.86773 -18.531 8.07325 TIMING: 1268400 CPU: 3958.7, 0.00320043/step Wall: 3958.7, 0.00320043/step, 3.31743 hours remaining, 235.632812 MB of memory in use. ENERGY: 1268400 3959.4991 20435.1464 14431.0815 248.2255 -203765.0644 2994.2675 0.0000 0.0000 51879.8060 -109817.0383 298.1540 -161696.8443 -109445.5005 298.0840 147.3984 176.5001 761340.8277 -5.3702 -5.4024 PRESSURE: 1268600 269.576 -233.708 -22.3184 -233.707 328.82 90.4547 -22.3186 90.454 253.593 GPRESSURE: 1268600 267.141 -138.945 14.4807 -193.991 362.263 122.461 -123.051 83.4171 306.593 PRESSAVG: 1268600 -29.2314 -47.8438 11.5292 -47.8438 11.7911 16.4849 11.5292 16.485 -20.4624 GPRESSAVG: 1268600 -29.7715 -48.4581 9.02227 -48.4424 12.2988 18.898 12.9297 13.5957 -19.7533 TIMING: 1268600 CPU: 3959.33, 0.00314485/step Wall: 3959.33, 0.00314485/step, 3.25963 hours remaining, 235.644531 MB of memory in use. ENERGY: 1268600 3916.4617 20506.3285 14418.1420 252.4753 -203840.5796 3142.7321 0.0000 0.0000 52024.3185 -109580.1214 298.9845 -161604.4399 -109218.1805 298.1745 283.9963 311.9989 761591.6353 -12.6343 -12.4087 PRESSURE: 1268800 -86.8356 86.1926 138.704 86.1923 -343.563 48.7069 138.704 48.7067 112.137 GPRESSURE: 1268800 -121.727 72.0077 178.075 28.2804 -263.068 15.872 158.033 20.0035 154.706 PRESSAVG: 1268800 23.67 -15.9003 -0.693395 -15.9004 -33.0682 16.3173 -0.693329 16.3172 4.5482 GPRESSAVG: 1268800 25.1386 -14.7922 -1.49984 -16.2471 -34.5175 15.1588 -0.440473 18.0666 4.05857 TIMING: 1268800 CPU: 3959.96, 0.00313043/step Wall: 3959.96, 0.00313043/step, 3.24452 hours remaining, 235.644531 MB of memory in use. ENERGY: 1268800 4036.3381 20416.2285 14525.6139 263.2767 -203457.0505 2874.1907 0.0000 0.0000 51733.3695 -109608.0331 297.3124 -161341.4026 -109247.6303 298.8245 -106.0871 -76.6963 761713.4841 -1.6167 -1.7735 PRESSURE: 1269000 231.901 -82.1523 107.34 -82.1523 -186.454 54.0631 107.339 54.0635 -74.6379 GPRESSURE: 1269000 216.467 -72.8145 100.438 -104.731 -64.7498 38.3489 -6.70239 -77.7901 -78.8885 PRESSAVG: 1269000 40.3845 42.9404 -9.49804 42.9405 -62.1446 -22.2414 -9.49805 -22.2414 23.117 GPRESSAVG: 1269000 39.0982 43.4364 -9.01043 44.4322 -61.3387 -21.9844 -11.6256 -25.5382 23.7165 TIMING: 1269000 CPU: 3960.59, 0.00314416/step Wall: 3960.59, 0.00314416/step, 3.25857 hours remaining, 235.644531 MB of memory in use. ENERGY: 1269000 3891.0657 20585.4093 14454.0899 258.1102 -203275.7344 2600.8257 0.0000 0.0000 51855.1077 -109631.1259 298.0120 -161486.2336 -109272.4087 298.5928 -9.7300 24.2761 762950.1009 0.4523 0.4920 PRESSURE: 1269200 -80.2706 157.605 247.886 157.606 -332.938 -6.12184 247.886 -6.12174 -286.607 GPRESSURE: 1269200 -51.03 187.667 236.229 33.2949 -304.86 -31.1365 255.783 64.8533 -267.351 PRESSAVG: 1269200 17.4659 58.8799 33.2861 58.8799 24.8094 26.6915 33.2861 26.6915 18.136 GPRESSAVG: 1269200 18.4937 57.6078 33.5286 57.4733 24.267 25.35 33.5736 31.2338 17.8343 TIMING: 1269200 CPU: 3961.22, 0.00314904/step Wall: 3961.22, 0.00314904/step, 3.26345 hours remaining, 235.644531 MB of memory in use. ENERGY: 1269200 3954.6213 20385.5391 14442.8508 247.7199 -203182.7984 2485.9976 0.0000 0.0000 51903.6251 -109762.4446 298.2908 -161666.0697 -109396.5369 297.8209 -233.2719 -207.7469 762028.7916 20.1371 20.1983 PRESSURE: 1269400 198.049 67.3729 -155.746 67.3731 -7.52839 6.57236 -155.746 6.5725 247.756 GPRESSURE: 1269400 258.294 171.499 -182.819 110.079 -37.6027 -85.5473 -205.602 52.6249 301.339 PRESSAVG: 1269400 -26.9078 71.8328 13.3989 71.8328 16.7323 37.5172 13.3988 37.5172 -1.01372 GPRESSAVG: 1269400 -27.0947 72.5024 13.5301 70.5542 15.4257 37.9285 13.7694 35.1921 0.662122 TIMING: 1269400 CPU: 3961.85, 0.00315756/step Wall: 3961.85, 0.00315756/step, 3.27211 hours remaining, 235.644531 MB of memory in use. ENERGY: 1269400 3966.3011 20406.5861 14411.1117 260.7433 -203517.9182 2827.2942 0.0000 0.0000 52081.3549 -109564.5270 299.3123 -161645.8818 -109208.4851 297.9808 146.0924 174.0100 761834.3589 -3.7297 -3.6690 PRESSURE: 1269600 -25.6173 -230.786 -76.4859 -230.786 -337.938 74.9988 -76.4852 74.9989 -212.333 GPRESSURE: 1269600 37.1158 -133.317 -87.3448 -184.7 -329.761 26.6033 -81.9465 203.196 -208.943 PRESSAVG: 1269600 21.3536 -3.76755 15.097 -3.76751 5.05933 6.50154 15.097 6.50143 6.27946 GPRESSAVG: 1269600 20.9584 -2.97063 14.3761 -2.91633 6.57707 7.95894 15.4941 8.25088 5.03538 TIMING: 1269600 CPU: 3962.48, 0.0031536/step Wall: 3962.48, 0.0031536/step, 3.26783 hours remaining, 235.644531 MB of memory in use. ENERGY: 1269600 3926.0148 20617.2056 14374.5879 248.3455 -202797.3443 2207.3699 0.0000 0.0000 51908.4048 -109515.4157 298.3183 -161423.8205 -109152.5331 298.8395 -191.9628 -167.1959 763089.6854 10.8975 10.8570 PRESSURE: 1269800 -349.589 42.3724 3.98304 42.3716 -75.0837 67.0384 3.98344 67.0376 -11.5675 GPRESSURE: 1269800 -202.442 -41.2351 -87.7957 -56.0838 -148.784 0.632472 -62.1589 172.656 -10.5075 PRESSAVG: 1269800 30.9174 -18.219 -7.01843 -18.219 -31.8691 -15.9356 -7.0184 -15.9356 14.0957 GPRESSAVG: 1269800 31.9955 -20.1939 -5.51295 -19.5866 -33.1961 -16.2188 -6.91122 -17.875 14.2721 TIMING: 1269800 CPU: 3963.11, 0.0031429/step Wall: 3963.11, 0.0031429/step, 3.25657 hours remaining, 235.644531 MB of memory in use. ENERGY: 1269800 4002.8586 20509.8465 14436.3596 236.8889 -202909.2358 2403.6625 0.0000 0.0000 51851.8374 -109467.7824 297.9932 -161319.6198 -109117.4288 298.8178 -145.4133 -120.5779 761393.1766 4.3813 4.3572 PRESSURE: 1270000 391.641 -257.619 63.9949 -257.619 22.8365 -42.073 63.9949 -42.0739 -85.5982 GPRESSURE: 1270000 377.953 -297.518 143.818 -187.12 21.9331 -88.8709 140.389 29.9479 -9.06195 PRESSAVG: 1270000 -8.18607 -55.5833 -16.1841 -55.5832 17.6137 -10.8121 -16.1841 -10.812 -22.0564 GPRESSAVG: 1270000 -8.34951 -57.4533 -16.8832 -52.3768 17.1903 -12.3 -15.8693 -9.31761 -21.7639 TIMING: 1270000 CPU: 3963.74, 0.00314253/step Wall: 3963.74, 0.00314253/step, 3.25601 hours remaining, 235.644531 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: 1270000 3989.0915 20541.9449 14374.0187 255.0216 -203214.6462 2815.5783 0.0000 0.0000 52020.5511 -109218.4400 298.9628 -161238.9911 -108860.1198 299.1003 109.6264 130.2749 761822.4902 -4.2096 -4.3077 PRESSURE: 1270200 61.1134 169.93 -57.1486 169.929 -211.232 95.9599 -57.1476 95.9605 -191.553 GPRESSURE: 1270200 75.8539 53.6276 46.1348 10.1847 -162.463 136.129 -44.5269 -39.9087 -148.712 PRESSAVG: 1270200 27.8935 -48.4301 -13.4123 -48.4301 -18.8586 -1.87659 -13.4123 -1.87653 -17.4136 GPRESSAVG: 1270200 25.8869 -48.8811 -12.7109 -48.7224 -16.5204 -0.191697 -13.9832 -2.1297 -18.1803 TIMING: 1270200 CPU: 3964.37, 0.00313819/step Wall: 3964.37, 0.00313819/step, 3.25134 hours remaining, 235.644531 MB of memory in use. ENERGY: 1270200 3942.6434 20623.7212 14386.4422 246.9942 -203319.5871 2890.9618 0.0000 0.0000 51844.7562 -109384.0681 297.9525 -161228.8243 -109025.3528 298.9634 -113.8906 -78.4406 763346.8180 -2.7929 -2.9379 PRESSURE: 1270400 267.478 -159.079 -201.437 -159.08 -135.045 66.6395 -201.436 66.6387 -179.615 GPRESSURE: 1270400 349.245 -132.584 -231.805 -157.905 -161.711 122.182 -245.533 60.3547 -144.452 PRESSAVG: 1270400 41.1612 12.7954 -53.1484 12.7954 -58.5534 -39.8185 -53.1484 -39.8184 -12.047 GPRESSAVG: 1270400 43.7645 15.6784 -53.0283 11.0356 -59.9873 -41.5768 -54.3692 -40.7868 -12.625 TIMING: 1270400 CPU: 3964.99, 0.00314081/step Wall: 3964.99, 0.00314081/step, 3.25388 hours remaining, 235.644531 MB of memory in use. ENERGY: 1270400 4039.5311 20491.1966 14418.3893 270.3613 -203652.8683 2993.1321 0.0000 0.0000 52026.7457 -109413.5121 298.9984 -161440.2578 -109057.5574 298.7792 -15.7271 14.3605 763629.7540 -9.8131 -9.6160 PRESSURE: 1270600 53.1409 74.1668 221.289 74.1673 -135.464 134.88 221.288 134.88 -13.0673 GPRESSURE: 1270600 108.838 192.696 228.527 17.3898 -53.5338 111.32 160.635 62.7581 -52.8207 PRESSAVG: 1270600 65.471 -14.6469 -25.1774 -14.6468 -47.0031 -49.587 -25.1774 -49.5871 -0.392894 GPRESSAVG: 1270600 66.3173 -14.1814 -27.3552 -14.489 -46.7874 -48.2294 -23.8153 -47.9818 -1.51593 TIMING: 1270600 CPU: 3965.62, 0.00313405/step Wall: 3965.62, 0.00313405/step, 3.2467 hours remaining, 235.644531 MB of memory in use. ENERGY: 1270600 4002.8789 20381.3858 14300.0966 239.1072 -203215.7240 2773.0831 0.0000 0.0000 52085.9853 -109433.1872 299.3389 -161519.1725 -109081.1965 298.9273 -31.7968 0.8277 763981.0331 6.0250 6.0047 PRESSURE: 1270800 244.749 -8.74136 174.962 -8.74154 -382.902 108.406 174.962 108.407 -394.93 GPRESSURE: 1270800 231.033 -139.554 69.5433 -27.4841 -379.317 103.593 131.58 106.095 -327.105 PRESSAVG: 1270800 33.8052 -15.1739 20.6294 -15.1739 -21.6037 -3.75975 20.6293 -3.75969 -16.2005 GPRESSAVG: 1270800 32.1176 -18.0607 21.3783 -13.1637 -21.3926 -4.18159 19.4348 -6.61492 -15.0438 TIMING: 1270800 CPU: 3966.25, 0.00316836/step Wall: 3966.25, 0.00316836/step, 3.28207 hours remaining, 235.644531 MB of memory in use. ENERGY: 1270800 3969.2340 20614.1551 14376.7343 254.2079 -202928.3596 2474.9370 0.0000 0.0000 51983.3938 -109255.6976 298.7493 -161239.0914 -108889.1518 298.7963 -177.6945 -158.4630 762307.9600 -1.3330 -1.4396 PRESSURE: 1271000 272.544 119.487 10.2172 119.487 9.75768 -211.017 10.2173 -211.018 24.7242 GPRESSURE: 1271000 241.148 98.6722 63.5249 168.715 22.9241 -177.035 98.6959 -122.872 111.688 PRESSAVG: 1271000 34.7139 19.0225 18.0727 19.0226 -39.7459 7.95521 18.0727 7.95511 14.0672 GPRESSAVG: 1271000 34.6579 20.7395 17.7754 17.0577 -40.8628 7.31092 19.6556 9.52147 14.8332 TIMING: 1271000 CPU: 3966.89, 0.00315891/step Wall: 3966.89, 0.00315891/step, 3.27211 hours remaining, 235.644531 MB of memory in use. ENERGY: 1271000 3992.5629 20545.9685 14346.9111 250.8957 -203292.8203 2837.3451 0.0000 0.0000 52258.5611 -109060.5759 300.3307 -161319.1370 -108695.7151 299.9818 102.3420 125.2532 761667.4021 3.0117 2.8761 PRESSURE: 1271200 -191.282 140.153 80.1654 140.153 -410.394 -88.5284 80.1652 -88.5286 271.616 GPRESSURE: 1271200 -70.484 104.823 176 154.21 -346.174 -127.716 104.012 -61.4612 187.959 PRESSAVG: 1271200 29.717 26.2812 -13.5261 26.2812 -19.1029 -23.7833 -13.5261 -23.7832 0.0117791 GPRESSAVG: 1271200 30.4263 25.6482 -12.3904 26.7186 -18.2019 -23.9923 -14.9341 -23.2808 -1.134 TIMING: 1271200 CPU: 3967.51, 0.00313537/step Wall: 3967.51, 0.00313537/step, 3.24754 hours remaining, 235.644531 MB of memory in use. ENERGY: 1271200 3960.2062 20520.7536 14384.7155 245.1049 -203357.0035 2632.3788 0.0000 0.0000 52388.7742 -109225.0703 301.0790 -161613.8446 -108849.5055 299.4795 -110.0200 -76.2328 762871.9032 3.5420 3.6968 PRESSURE: 1271400 -174.203 71.9024 -43.4017 71.9026 -32.3137 -104.271 -43.4006 -104.272 257.281 GPRESSURE: 1271400 -107.649 -19.0782 -163.048 68.7318 -55.4981 -80.1638 -23.2331 -93.469 298.933 PRESSAVG: 1271400 4.30881 -31.0519 -101.77 -31.0519 -25.3492 -23.5727 -101.77 -23.5728 -1.65901 GPRESSAVG: 1271400 3.26661 -30.9251 -103.81 -32.3566 -26.3777 -23.1217 -101.49 -24.1358 0.694176 TIMING: 1271400 CPU: 3968.14, 0.00313357/step Wall: 3968.14, 0.00313357/step, 3.24551 hours remaining, 235.644531 MB of memory in use. ENERGY: 1271400 3952.7682 20615.7031 14351.8662 237.0253 -202842.1993 2442.2147 0.0000 0.0000 51900.8183 -109341.8036 298.2747 -161242.6218 -108983.6321 299.1700 16.9215 45.2621 762559.3193 -7.5665 -7.4723 PRESSURE: 1271600 -131.706 -146.749 -43.5204 -146.749 211.83 82.541 -43.5208 82.5406 11.6831 GPRESSURE: 1271600 -115.145 -67.3525 55.4366 -147.3 308.075 102.97 6.37403 -32.983 -1.74307 PRESSAVG: 1271600 22.7746 -15.2568 -16.2077 -15.2569 -36.5986 -10.0667 -16.2077 -10.0666 3.30167 GPRESSAVG: 1271600 21.6499 -15.4796 -14.8169 -13.8528 -33.5813 -9.78028 -18.0269 -11.4421 1.76465 TIMING: 1271600 CPU: 3968.77, 0.00313458/step Wall: 3968.77, 0.00313457/step, 3.24637 hours remaining, 235.644531 MB of memory in use. ENERGY: 1271600 3942.7984 20428.4826 14438.5418 243.1788 -203207.9325 2782.2209 0.0000 0.0000 51944.6205 -109428.0895 298.5264 -161372.7100 -109073.9452 298.7451 30.6024 63.7290 760828.9769 -3.5074 -3.3889 PRESSURE: 1271800 -129.288 148.309 -175.071 148.31 -191.609 8.78306 -175.071 8.78233 -71.3957 GPRESSURE: 1271800 -109.228 62.5317 -41.4225 225.363 -159.653 -3.08662 -215.339 -24.2251 -41.0755 PRESSAVG: 1271800 -16.0967 37.1689 -48.169 37.1688 27.2751 -11.4216 -48.169 -11.4217 -3.02869 GPRESSAVG: 1271800 -14.4116 36.8341 -46.2833 35.8334 25.7399 -12.2009 -46.6772 -11.8649 -3.23849 TIMING: 1271800 CPU: 3969.39, 0.00314062/step Wall: 3969.39, 0.00314062/step, 3.25246 hours remaining, 235.644531 MB of memory in use. ENERGY: 1271800 3948.2972 20377.1679 14507.5665 258.8552 -203492.7974 2826.2865 0.0000 0.0000 52197.9867 -109376.6374 299.9825 -161574.6241 -109016.1964 298.9523 -130.7642 -103.3189 763003.8036 2.7165 2.6966 PRESSURE: 1272000 61.958 47.8371 25.9927 47.8383 86.4153 -30.9666 25.9917 -30.9658 282.498 GPRESSURE: 1272000 260.376 110.473 43.6432 74.844 -36.0729 -88.7335 45.898 17.5754 277.513 PRESSAVG: 1272000 -25.3053 38.3633 -28.5131 38.3633 12.9228 -38.321 -28.5132 -38.3211 -9.51132 GPRESSAVG: 1272000 -25.3278 37.6013 -31.6689 39.8002 12.1918 -38.4337 -28.6815 -36.4058 -8.85634 TIMING: 1272000 CPU: 3970.02, 0.00313636/step Wall: 3970.02, 0.00313636/step, 3.24788 hours remaining, 235.644531 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: 1272000 3918.8110 20633.2351 14365.0957 249.6646 -203202.8644 2647.5514 0.0000 0.0000 52129.9156 -109258.5910 299.5913 -161388.5066 -108894.3517 299.3117 143.6236 167.2721 762511.8432 -7.2980 -7.3308 PRESSURE: 1272200 -240.714 74.2446 45.9799 74.2445 -198.768 11.2194 45.9795 11.2185 -162.632 GPRESSURE: 1272200 -207.459 67.2269 -6.38566 87.9669 -183.989 6.07701 183.732 -31.3584 -121.154 PRESSAVG: 1272200 -0.71583 -2.67276 -12.1434 -2.67271 -22.3931 6.2704 -12.1434 6.2704 0.82736 GPRESSAVG: 1272200 0.689668 -0.653574 -11.9843 -3.35893 -23.1783 6.52493 -12.2731 6.27067 0.384756 TIMING: 1272200 CPU: 3970.65, 0.00315566/step Wall: 3970.65, 0.00315566/step, 3.26768 hours remaining, 235.644531 MB of memory in use. ENERGY: 1272200 3986.5560 20590.8287 14361.4211 260.8082 -202860.6413 2437.6376 0.0000 0.0000 51910.7800 -109312.6097 298.3320 -161223.3897 -108955.7287 299.1349 -200.7049 -170.8671 763491.5948 -7.4272 -7.3680 LDB: ============= START OF LOAD BALANCING ============== 3983.13 LDB: ============== END OF LOAD BALANCING =============== 3983.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3983.14 LDB: ============= START OF LOAD BALANCING ============== 3983.45 LDB: Largest compute 7052 load 0.029813 is 15.3% of average load 0.195000 LDB: Average compute 0.004383 is 2.2% of average load 0.195000 LDB: TIME 3983.45 LOAD: AVG 0.195 MAX 0.212451 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.637 MB LDB: TIME 3983.45 LOAD: AVG 0.195 MAX 0.212451 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.637 MB LDB: TIME 3983.45 LOAD: AVG 0.195 MAX 0.212451 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.637 MB LDB: ============== END OF LOAD BALANCING =============== 3983.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3983.46 PRESSURE: 1272400 -212.871 18.928 63.9594 18.9278 72.234 -93.7747 63.9588 -93.7761 -202.568 GPRESSURE: 1272400 -65.8992 47.9638 5.79633 76.2715 51.8575 -64.7283 -41.0769 -59.8311 -244.387 PRESSAVG: 1272400 -28.9886 -2.45459 -50.7752 -2.45459 20.032 -37.4076 -50.7751 -37.4076 11.6802 GPRESSAVG: 1272400 -29.7699 -2.68434 -49.2959 -3.17003 21.3163 -36.8819 -51.8743 -36.3384 11.222 TIMING: 1272400 CPU: 3971.3, 0.00321681/step Wall: 3971.3, 0.00321681/step, 3.33083 hours remaining, 232.753906 MB of memory in use. ENERGY: 1272400 3947.5835 20413.6532 14462.5225 251.7519 -203535.8973 2953.2513 0.0000 0.0000 52179.8741 -109327.2608 299.8785 -161507.1349 -108964.5639 299.3105 -114.4017 -86.1431 763102.3231 0.9079 0.9228 PRESSURE: 1272600 73.967 19.8193 -320.113 19.819 -232.44 -294.685 -320.114 -294.686 420.013 GPRESSURE: 1272600 81.4467 -85.5516 -206.172 -144.401 -144.775 -342.312 -189.424 -221.546 411.46 PRESSAVG: 1272600 -45.1722 17.5395 -54.2127 17.5395 -10.0227 -60.2566 -54.2127 -60.2566 27.9797 GPRESSAVG: 1272600 -46.0066 13.959 -54.2207 19.1449 -9.75606 -60.4199 -53.2633 -59.626 28.3798 TIMING: 1272600 CPU: 3971.92, 0.003117/step Wall: 3971.92, 0.00311701/step, 3.22731 hours remaining, 232.753906 MB of memory in use. ENERGY: 1272600 4061.3916 20630.7577 14391.8917 248.9326 -203431.3807 2917.0480 0.0000 0.0000 51983.0968 -109198.2623 298.7476 -161181.3591 -108844.4537 299.4014 87.1802 116.0438 763805.5826 -9.0717 -9.1276 PRESSURE: 1272800 -138.455 84.5326 117.835 84.5334 73.3878 115.65 117.835 115.651 263.258 GPRESSURE: 1272800 -77.331 87.4005 197.058 60.4855 76.2551 117.045 85.6148 86.8239 275.639 PRESSAVG: 1272800 -29.9677 13.6919 -44.6267 13.6919 -12.9151 -35.927 -44.6267 -35.927 4.41307 GPRESSAVG: 1272800 -28.5182 16.9033 -44.6987 12.3932 -14.2847 -36.9306 -43.161 -37.9882 3.64133 TIMING: 1272800 CPU: 3972.55, 0.00313825/step Wall: 3972.55, 0.00313825/step, 3.24913 hours remaining, 232.753906 MB of memory in use. ENERGY: 1272800 4032.7043 20452.0704 14517.8786 252.6741 -203466.1848 2993.3529 0.0000 0.0000 51855.7186 -109361.7858 298.0155 -161217.5044 -108994.9696 298.9541 66.0635 91.5211 764414.3009 -12.8232 -13.0539 PRESSURE: 1273000 224.616 159.887 -207.446 159.886 -217.889 -179.571 -207.446 -179.571 -141.473 GPRESSURE: 1273000 152.669 38.2059 -231.207 145.476 -126.471 -180.86 -76.5847 -163.857 -94.8685 PRESSAVG: 1273000 -1.51996 19.0973 -16.126 19.0973 1.39397 11.0238 -16.126 11.0238 -21.648 GPRESSAVG: 1273000 -3.22159 19.6095 -15.8854 19.4642 2.06552 11.2384 -18.1321 10.1185 -20.4341 TIMING: 1273000 CPU: 3973.17, 0.00313123/step Wall: 3973.17, 0.00313123/step, 3.24169 hours remaining, 232.753906 MB of memory in use. ENERGY: 1273000 4009.4006 20622.6906 14406.9706 254.9398 -203261.0181 2874.1104 0.0000 0.0000 51966.1933 -109126.7130 298.6504 -161092.9062 -108768.6886 299.4920 -44.9155 -22.8902 763701.3555 -7.2580 -7.1967 PRESSURE: 1273200 -49.0555 -169.313 -137.804 -169.312 -277.877 -28.7872 -137.804 -28.7864 -73.3295 GPRESSURE: 1273200 -94.5985 -127.554 -123.324 -29.2148 -187.542 -68.98 -176.54 -15.4022 -33.6135 PRESSAVG: 1273200 4.37778 11.9841 -44.1384 11.9841 -67.7477 8.90766 -44.1384 8.90763 -20.4111 GPRESSAVG: 1273200 4.87035 9.65427 -45.6575 14.8434 -67.3908 8.3934 -42.9667 10.0871 -21.269 TIMING: 1273200 CPU: 3973.8, 0.003129/step Wall: 3973.8, 0.003129/step, 3.23921 hours remaining, 232.753906 MB of memory in use. ENERGY: 1273200 3937.4338 20624.9481 14363.2369 238.4768 -202993.5542 2456.1207 0.0000 0.0000 52020.1543 -109353.1836 298.9605 -161373.3379 -108988.3651 299.2172 -133.4205 -105.2513 761984.2251 -27.9270 -27.9298 PRESSURE: 1273400 -123.25 -190.465 -29.9758 -190.465 -2.71891 -411.668 -29.9762 -411.667 173.371 GPRESSURE: 1273400 -13.07 -188.044 -14.5655 -101.584 18.6211 -373.654 -79.128 -393.577 110.595 PRESSAVG: 1273400 -15.1155 -35.2153 -38.2079 -35.2153 28.1862 52.9582 -38.2079 52.9582 -13.3537 GPRESSAVG: 1273400 -13.9986 -33.1022 -38.7211 -37.5165 26.6871 53.9714 -39.174 53.3234 -13.3507 TIMING: 1273400 CPU: 3974.43, 0.00314367/step Wall: 3974.43, 0.00314367/step, 3.25423 hours remaining, 232.753906 MB of memory in use. ENERGY: 1273400 3994.6576 20563.1145 14377.2494 242.4531 -202966.2876 2405.0945 0.0000 0.0000 51958.7563 -109424.9621 298.6077 -161383.7185 -109063.3117 298.6863 15.8010 38.7152 760213.1921 -0.0943 -0.2208 PRESSURE: 1273600 88.8903 -78.6895 -117.797 -78.6894 120.951 141.719 -117.797 141.718 312.66 GPRESSURE: 1273600 28.8574 5.17306 -73.8985 -166.342 246.223 185.27 -122.876 113.354 342.697 PRESSAVG: 1273600 74.9507 36.5669 -47.0336 36.567 -64.853 18.8279 -47.0336 18.8279 -11.4479 GPRESSAVG: 1273600 73.2449 34.9343 -45.972 37.1946 -63.416 19.1451 -47.4921 17.9599 -11.9829 TIMING: 1273600 CPU: 3975.05, 0.00313323/step Wall: 3975.05, 0.00313323/step, 3.24325 hours remaining, 232.753906 MB of memory in use. ENERGY: 1273600 3964.5930 20270.1830 14421.3626 260.8583 -203425.7304 3040.1692 0.0000 0.0000 51954.9483 -109513.6160 298.5858 -161468.5643 -109153.8178 298.9060 174.1668 205.9256 759337.0489 -0.4501 -0.7180 PRESSURE: 1273800 10.6119 249.521 -3.99453 249.52 -283.775 33.2833 -3.99405 33.2845 92.4281 GPRESSURE: 1273800 58.3738 259.483 -47.1168 207.557 -250.718 28.4572 65.1432 54.5475 107.741 PRESSAVG: 1273800 46.1691 35.4834 25.671 35.4834 -26.1558 67.7715 25.671 67.7715 -11.0814 GPRESSAVG: 1273800 46.5304 34.9856 23.9543 36.0757 -26.4407 66.274 27.01 69.5062 -10.9184 TIMING: 1273800 CPU: 3975.68, 0.00314054/step Wall: 3975.68, 0.00314054/step, 3.25063 hours remaining, 232.753906 MB of memory in use. ENERGY: 1273800 4003.4914 20516.8954 14426.9895 253.4089 -203050.3096 2565.0818 0.0000 0.0000 51949.4705 -109334.9721 298.5543 -161284.4426 -108974.8452 299.0622 -60.2449 -28.2013 762515.5422 2.9773 3.0571 PRESSURE: 1274000 149.327 -154.426 -54.5423 -154.426 105.562 -84.2057 -54.5414 -84.207 -85.2115 GPRESSURE: 1274000 231.478 -198.768 -28.2282 45.6766 106.841 6.31337 -24.5482 -166.979 -68.8171 PRESSAVG: 1274000 3.97986 1.89585 6.95196 1.89581 -11.5211 19.3332 6.952 19.3333 14.7195 GPRESSAVG: 1274000 4.30945 0.186958 8.81082 2.34645 -12.7861 20.4266 6.7077 17.8153 15.2755 TIMING: 1274000 CPU: 3976.31, 0.00314389/step Wall: 3976.31, 0.0031439/step, 3.25393 hours remaining, 232.753906 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: 1274000 3967.8992 20522.7461 14345.2503 253.9901 -203939.2074 3285.1786 0.0000 0.0000 52090.4630 -109473.6801 299.3646 -161564.1431 -109105.5053 299.0430 56.5589 89.8341 762905.4355 2.3927 2.2663 PRESSURE: 1274200 -314.328 -72.097 -17.5989 -72.0975 5.53203 -105.502 -17.5981 -105.501 -208.438 GPRESSURE: 1274200 -275.924 -133.386 99.3048 -97.7084 32.6287 -91.1973 18.6372 -130.993 -189.875 PRESSAVG: 1274200 55.4688 -27.9792 27.455 -27.9792 -5.40195 31.8628 27.4551 31.8627 -5.27145 GPRESSAVG: 1274200 55.1448 -26.087 28.288 -28.1039 -4.73251 32.1433 29.7346 29.8391 -5.60949 TIMING: 1274200 CPU: 3976.94, 0.00313313/step Wall: 3976.94, 0.00313313/step, 3.24261 hours remaining, 232.753906 MB of memory in use. ENERGY: 1274200 3949.7456 20575.0623 14350.6869 261.7280 -203164.8685 2530.8829 0.0000 0.0000 51860.5792 -109636.1836 298.0435 -161496.7628 -109291.8566 298.6461 -172.4112 -144.3900 762658.2447 14.9318 14.9343 PRESSURE: 1274400 217.885 -6.09064 -129.257 -6.09078 -38.385 90.0873 -129.257 90.0865 -168.836 GPRESSURE: 1274400 197.074 -94.1207 -135.887 26.0517 32.636 87.6766 -57.9753 165.168 -118.731 PRESSAVG: 1274400 -9.36223 2.88895 -51.7753 2.88896 4.82458 5.59263 -51.7753 5.5925 -1.21529 GPRESSAVG: 1274400 -10.1696 2.60767 -52.7202 2.04649 5.11537 4.84247 -55.027 10.529 -1.19931 TIMING: 1274400 CPU: 3977.57, 0.00314268/step Wall: 3977.57, 0.00314268/step, 3.25233 hours remaining, 232.753906 MB of memory in use. ENERGY: 1274400 3888.8135 20521.6757 14425.2332 238.2654 -203629.0948 2947.0291 0.0000 0.0000 52056.6855 -109551.3923 299.1705 -161608.0778 -109195.2331 298.5064 3.5546 36.9927 761618.5627 -1.9176 -2.0845 PRESSURE: 1274600 231.404 -270.58 -246.643 -270.58 153.989 326.193 -246.642 326.192 -176.312 GPRESSURE: 1274600 243.863 -234.507 -268.018 -266.21 153.309 192.62 -148.844 388.903 -119.715 PRESSAVG: 1274600 28.8491 -19.108 -59.4888 -19.1081 -11.7445 18.7245 -59.4887 18.7245 -8.70095 GPRESSAVG: 1274600 29.4439 -18.2296 -59.8537 -19.3436 -10.8111 18.6615 -59.4327 16.3285 -9.73223 TIMING: 1274600 CPU: 3978.2, 0.00315195/step Wall: 3978.2, 0.00315195/step, 3.26174 hours remaining, 232.753906 MB of memory in use. ENERGY: 1274600 3933.1026 20500.7191 14434.7048 230.3654 -203710.7232 2981.1925 0.0000 0.0000 52158.2632 -109472.3754 299.7543 -161630.6387 -109112.1394 298.5708 69.6936 92.4860 761739.4499 2.8012 2.9669 PRESSURE: 1274800 120.527 70.483 -36.5035 70.4835 -29.4211 -230.339 -36.5034 -230.339 -241.292 GPRESSURE: 1274800 129.639 140.699 110.608 43.7682 7.6516 -274.781 -105.837 -92.7705 -202.114 PRESSAVG: 1274800 -8.71371 26.599 32.6311 26.599 -3.68136 -16.5776 32.6311 -16.5776 8.32161 GPRESSAVG: 1274800 -9.43597 26.628 33.6571 25.0967 -4.1734 -16.7268 33.5277 -15.3779 10.059 TIMING: 1274800 CPU: 3978.83, 0.0031684/step Wall: 3978.83, 0.0031684/step, 3.27859 hours remaining, 232.753906 MB of memory in use. ENERGY: 1274800 3951.7609 20453.4229 14402.1103 248.8938 -203403.6019 2855.6357 0.0000 0.0000 52037.0745 -109454.7039 299.0578 -161491.7783 -109083.0518 299.0133 -50.0619 -21.6078 764087.2673 -1.3578 -1.1835 PRESSURE: 1275000 66.3612 -262.398 107.509 -262.399 -345.734 173.369 107.51 173.368 -61.1483 GPRESSURE: 1275000 86.2269 -181.958 134.437 -258.163 -295.531 164.535 28.7384 168.718 -40.2251 PRESSAVG: 1275000 17.6541 -20.5303 28.7378 -20.5302 -19.7342 27.2701 28.7378 27.2701 -2.2067 GPRESSAVG: 1275000 17.8775 -20.2458 27.8695 -18.4031 -19.4457 25.7693 28.2795 26.9488 -2.97476 TIMING: 1275000 CPU: 3979.46, 0.00316592/step Wall: 3979.46, 0.00316592/step, 3.27584 hours remaining, 232.753906 MB of memory in use. ENERGY: 1275000 3987.2852 20444.2586 14361.1196 246.9341 -203209.8362 2727.1758 0.0000 0.0000 51887.3521 -109555.7108 298.1973 -161443.0629 -109198.2906 298.4901 -113.5070 -83.1763 763229.3344 -1.4289 -1.5143 PRESSURE: 1275200 -147.281 32.3696 -18.9139 32.37 -36.2562 193.654 -18.913 193.653 74.0871 GPRESSURE: 1275200 -116.792 8.10971 -86.2445 82.4942 54.3727 197.584 54.4086 116.337 46.5485 PRESSAVG: 1275200 45.5197 -11.6552 -64.912 -11.6552 -63.9154 -24.8956 -64.912 -24.8956 -6.33891 GPRESSAVG: 1275200 44.8067 -12.1009 -65.337 -14.2499 -64.2775 -23.5188 -65.0712 -26.8036 -5.76854 TIMING: 1275200 CPU: 3980.1, 0.00316303/step Wall: 3980.1, 0.00316303/step, 3.27268 hours remaining, 232.753906 MB of memory in use. ENERGY: 1275200 4042.8981 20563.8457 14400.0818 261.1681 -203534.2032 2703.8254 0.0000 0.0000 51986.2486 -109576.1355 298.7657 -161562.3842 -109212.8791 299.0022 -36.4833 -5.2902 763627.0131 -8.2449 -8.4131 PRESSURE: 1275400 100.237 -75.0987 -28.2349 -75.0989 66.9716 168.385 -28.2354 168.384 -87.8536 GPRESSURE: 1275400 114.396 -148.699 -84.092 -53.6898 78.031 250.431 28.8063 52.909 -17.7505 PRESSAVG: 1275400 0.354593 -4.6957 -1.8251 -4.6957 17.8616 21.4607 -1.82513 21.4608 -2.63172 GPRESSAVG: 1275400 1.20853 -3.95888 -2.34986 -2.66175 16.65 23.4348 -1.49258 21.3132 -3.01917 TIMING: 1275400 CPU: 3980.73, 0.00316682/step Wall: 3980.73, 0.00316682/step, 3.27643 hours remaining, 232.753906 MB of memory in use. ENERGY: 1275400 3954.3437 20494.1326 14415.8211 251.1032 -203509.6620 2928.1797 0.0000 0.0000 51998.7221 -109467.3597 298.8374 -161466.0818 -109113.0163 298.7056 26.4517 58.2257 765091.4851 5.1948 4.9465 PRESSURE: 1275600 62.2614 66.6907 65.9734 66.6912 468.134 -115.854 65.9733 -115.855 223.007 GPRESSURE: 1275600 87.9746 121.799 20.7736 9.82934 485.846 -103.174 31.5709 -112.075 248.852 PRESSAVG: 1275600 13.0338 16.8637 -27.6846 16.8636 3.30517 28.3353 -27.6846 28.3353 7.72323 GPRESSAVG: 1275600 13.6054 17.5721 -26.2295 15.2481 4.09021 26.6895 -29.3595 30.2664 6.43177 TIMING: 1275600 CPU: 3981.37, 0.00319218/step Wall: 3981.37, 0.00319218/step, 3.30249 hours remaining, 232.753906 MB of memory in use. ENERGY: 1275600 3954.6130 20682.0265 14425.4549 231.2130 -203745.6583 3026.1170 0.0000 0.0000 51937.2754 -109488.9584 298.4842 -161426.2339 -109134.1128 298.6354 251.1340 274.2241 762431.6509 8.0207 8.0425 PRESSURE: 1275800 397.633 -181.143 -109.246 -181.142 -63.3912 192.204 -109.246 192.203 -66.528 GPRESSURE: 1275800 376.745 -188.01 -62.4041 -108.586 -17.6558 201.359 18.5147 46.7538 -12.0129 PRESSAVG: 1275800 45.0164 35.1409 -39.174 35.1409 -57.2808 14.8612 -39.174 14.8612 -14.2692 GPRESSAVG: 1275800 45.055 35.9393 -38.1649 38.1317 -57.9649 14.8283 -38.5549 13.2787 -13.76 TIMING: 1275800 CPU: 3982, 0.00315978/step Wall: 3982, 0.00315978/step, 3.26879 hours remaining, 232.753906 MB of memory in use. ENERGY: 1275800 3993.6631 20355.3835 14402.4769 256.6906 -203248.7117 2878.4808 0.0000 0.0000 51939.3464 -109422.6704 298.4961 -161362.0168 -109067.3330 298.7028 89.2378 115.6921 763646.3057 -8.8445 -8.8900 PRESSURE: 1276000 -37.4496 139.728 -204.92 139.729 -87.2687 -42.8925 -204.921 -42.8918 -58.9275 GPRESSURE: 1276000 29.2409 184.171 -186.85 71.3966 -66.4728 -89.8891 -148.917 -20.6119 -82.9812 PRESSAVG: 1276000 64.3111 35.4398 -12.6321 35.4398 -96.4869 -3.12504 -12.6322 -3.12494 -0.902725 GPRESSAVG: 1276000 65.1571 34.1848 -13.3388 33.1345 -97.0364 -3.96401 -12.2343 -0.108047 -1.91259 TIMING: 1276000 CPU: 3982.63, 0.00315232/step Wall: 3982.63, 0.00315232/step, 3.2609 hours remaining, 232.753906 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: 1276000 3956.2798 20332.8366 14437.3312 249.7372 -203157.9141 2757.2813 0.0000 0.0000 51849.6808 -109574.7673 297.9808 -161424.4481 -109218.4135 298.4975 -61.2153 -40.0710 764652.9661 -11.0262 -11.2640 PRESSURE: 1276200 124.435 302.606 -58.4683 302.605 -234.866 90.2055 -58.4687 90.2055 -492.093 GPRESSURE: 1276200 186.167 371.547 -66.3731 236.768 -219.711 49.9436 -106.74 148.919 -509.893 PRESSAVG: 1276200 37.596 62.4301 -33.6015 62.4301 -55.9676 15.7483 -33.6016 15.7482 -7.60945 GPRESSAVG: 1276200 36.2414 60.3917 -34.5664 63.4656 -55.563 16.5746 -35.0534 12.4107 -6.40388 TIMING: 1276200 CPU: 3983.26, 0.00315677/step Wall: 3983.26, 0.00315677/step, 3.26533 hours remaining, 232.753906 MB of memory in use. ENERGY: 1276200 3964.7003 20369.2101 14351.6946 234.6174 -203230.2410 2891.9397 0.0000 0.0000 51760.3523 -109657.7266 297.4675 -161418.0789 -109295.7450 297.7936 -200.8414 -181.1457 764045.3194 -8.6603 -8.5751 LDB: ============= START OF LOAD BALANCING ============== 3995.74 LDB: ============== END OF LOAD BALANCING =============== 3995.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3995.75 LDB: ============= START OF LOAD BALANCING ============== 3996.06 LDB: Largest compute 7052 load 0.030021 is 15.4% of average load 0.194927 LDB: Average compute 0.004402 is 2.3% of average load 0.194927 LDB: TIME 3996.06 LOAD: AVG 0.194927 MAX 0.21331 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.582 MB LDB: TIME 3996.06 LOAD: AVG 0.194927 MAX 0.21331 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.582 MB LDB: TIME 3996.06 LOAD: AVG 0.194927 MAX 0.21331 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.582 MB LDB: ============== END OF LOAD BALANCING =============== 3996.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3996.07 PRESSURE: 1276400 -137.273 15.2372 -311.201 15.2376 15.8595 109.383 -311.201 109.384 165.424 GPRESSURE: 1276400 -122.909 -78.9235 -327.951 99.1175 70.8627 80.3822 -334.099 100.455 183.763 PRESSAVG: 1276400 -0.851342 20.0262 61.3611 20.0262 -0.228167 -9.10143 61.361 -9.10144 7.0072 GPRESSAVG: 1276400 -0.806289 20.7455 60.8932 20.1606 0.152608 -9.25773 62.8506 -5.57531 6.51624 TIMING: 1276400 CPU: 3983.9, 0.00321476/step Wall: 3983.9, 0.00321476/step, 3.32514 hours remaining, 234.292969 MB of memory in use. ENERGY: 1276400 4039.6366 20431.5791 14336.9017 237.2174 -203333.6378 2819.0810 0.0000 0.0000 51971.1268 -109498.0952 298.6788 -161469.2219 -109135.6700 298.3727 14.6702 43.9056 762829.8165 1.9759 1.9542 PRESSURE: 1276600 -262.726 0.667505 -1.83739 0.667673 -112.83 -152.645 -1.83648 -152.645 175.676 GPRESSURE: 1276600 -283.196 9.1763 32.1649 -53.2668 -89.4051 -186.184 -35.3745 -92.6663 243.667 PRESSAVG: 1276600 -38.2447 3.7647 20.5001 3.76473 22.1191 4.46541 20.5001 4.46539 -17.4507 GPRESSAVG: 1276600 -37.9651 3.79508 21.1509 2.50751 21.4636 4.37372 22.2449 3.20262 -16.6004 TIMING: 1276600 CPU: 3984.53, 0.00314393/step Wall: 3984.53, 0.00314393/step, 3.2517 hours remaining, 234.550781 MB of memory in use. ENERGY: 1276600 3948.8556 20448.5776 14462.3862 270.8143 -203191.8461 2787.8302 0.0000 0.0000 52123.8259 -109149.5564 299.5563 -161273.3822 -108780.5578 298.4918 -66.6267 -42.9780 764232.6286 -11.1921 -11.0340 PRESSURE: 1276800 194.711 -53.8711 -14.2115 -53.8712 291.593 46.202 -14.2113 46.2014 413.242 GPRESSURE: 1276800 260.327 -18.3784 -32.6147 106.477 386.186 134.932 -111.978 -43.1388 340.009 PRESSAVG: 1276800 -5.09469 26.3522 17.1396 26.3521 -10.5183 -28.1725 17.1396 -28.1726 4.87052 GPRESSAVG: 1276800 -4.69632 27.159 14.7425 29.5406 -10.0053 -29.2645 15.8178 -25.6431 4.00681 TIMING: 1276800 CPU: 3985.16, 0.00312828/step Wall: 3985.16, 0.00312828/step, 3.23533 hours remaining, 234.550781 MB of memory in use. ENERGY: 1276800 3876.4134 20655.8163 14404.6044 239.5819 -203751.1664 3288.8485 0.0000 0.0000 51992.3907 -109293.5112 298.8010 -161285.9019 -108931.8444 299.3307 299.8488 328.8404 762164.7681 -3.5808 -3.5650 PRESSURE: 1277000 -87.4189 80.2096 91.4084 80.2097 -30.755 105.708 91.4077 105.708 326.481 GPRESSURE: 1277000 -74.2489 90.7712 49.6576 -27.9496 25.5127 46.6139 144.121 54.5119 356.328 PRESSAVG: 1277000 17.6038 30.5041 27.2567 30.504 28.7883 17.9948 27.2567 17.9949 7.52193 GPRESSAVG: 1277000 17.5873 30.506 28.9493 27.5656 28.6758 18.5711 28.3754 14.9217 7.34824 TIMING: 1277000 CPU: 3985.79, 0.00314304/step Wall: 3985.79, 0.00314304/step, 3.25043 hours remaining, 234.550781 MB of memory in use. ENERGY: 1277000 4020.4829 20454.6737 14436.0041 226.2094 -202945.1565 2679.5782 0.0000 0.0000 51889.3149 -109238.8931 298.2086 -161128.2080 -108882.4297 298.7599 69.4358 102.5305 763124.8315 17.9713 17.8704 PRESSURE: 1277200 -188.287 94.6979 67.2903 94.6973 -260.74 222.432 67.2903 222.432 -59.4356 GPRESSURE: 1277200 -131.154 36.9938 42.1378 83.6444 -228.008 155.444 208.751 187.407 -53.1574 PRESSAVG: 1277200 59.7812 40.645 36.2097 40.645 -58.4102 -9.6117 36.2098 -9.61165 10.3186 GPRESSAVG: 1277200 59.2796 37.6892 37.5302 41.0645 -58.4827 -8.08502 33.3293 -10.267 11.353 TIMING: 1277200 CPU: 3986.41, 0.0031214/step Wall: 3986.41, 0.0031214/step, 3.22788 hours remaining, 234.550781 MB of memory in use. ENERGY: 1277200 4067.1924 20662.7571 14450.1539 251.1219 -203087.7276 2600.1438 0.0000 0.0000 51950.7011 -109105.6575 298.5614 -161056.3585 -108752.9981 299.3622 -169.4874 -137.4398 764861.0253 3.8965 4.0500 PRESSURE: 1277400 -75.0612 -123.787 80.9754 -123.785 -118.94 -187.606 80.9762 -187.606 296.183 GPRESSURE: 1277400 33.4163 -66.4988 -12.3808 -13.9268 -100.656 -196.089 105.785 -159.345 244.469 PRESSAVG: 1277400 11.0958 30.7733 39.9779 30.7733 -32.53 37.4899 39.9779 37.49 -13.9862 GPRESSAVG: 1277400 11.1114 32.4614 37.5527 31.6264 -31.7219 35.656 43.1562 37.7114 -14.838 TIMING: 1277400 CPU: 3987.04, 0.0031226/step Wall: 3987.04, 0.00312259/step, 3.22894 hours remaining, 234.550781 MB of memory in use. ENERGY: 1277400 4008.7419 20467.6031 14422.5965 229.8416 -203401.5447 2959.9273 0.0000 0.0000 51994.1283 -109318.7061 298.8110 -161312.8344 -108945.8222 298.7863 34.0608 59.0764 763676.0981 -11.8068 -11.8162 PRESSURE: 1277600 162.008 230.714 -101.185 230.714 83.5741 154.738 -101.186 154.738 299.115 GPRESSURE: 1277600 205.854 177.722 -130.407 276.571 183.668 146.334 -103.928 39.3126 243.766 PRESSAVG: 1277600 54.4742 11.2357 80.9992 11.2357 -20.8929 -13.8637 80.9992 -13.8637 -2.40888 GPRESSAVG: 1277600 53.5104 11.3084 83.8078 10.79 -21.4966 -12.5957 76.3767 -14.4632 -1.16448 TIMING: 1277600 CPU: 3987.66, 0.00310598/step Wall: 3987.66, 0.00310598/step, 3.21158 hours remaining, 234.550781 MB of memory in use. ENERGY: 1277600 3973.7310 20683.5396 14493.5255 242.6635 -203552.8080 2996.2985 0.0000 0.0000 52092.8186 -109070.2313 299.3781 -161163.0499 -108702.3494 299.4771 181.5658 211.0964 762952.1853 10.3908 10.2831 PRESSURE: 1277800 -476.521 -6.86239 78.2743 -6.86254 -117.325 -147.675 78.2736 -147.675 -207.543 GPRESSURE: 1277800 -320.281 -69.6277 119.107 -1.34169 -158.278 -161.55 59.818 -184.902 -222.985 PRESSAVG: 1277800 16.5575 2.93067 1.33315 2.9307 -4.38698 30.8101 1.33314 30.8101 12.54 GPRESSAVG: 1277800 18.9546 3.95613 -0.827296 4.3211 -3.70957 28.7635 4.09642 31.8394 10.1518 TIMING: 1277800 CPU: 3988.29, 0.00314197/step Wall: 3988.29, 0.00314197/step, 3.24862 hours remaining, 234.550781 MB of memory in use. ENERGY: 1277800 3943.7692 20553.4138 14376.2149 244.3262 -203195.1207 2777.9977 0.0000 0.0000 52085.5655 -109213.8335 299.3365 -161299.3990 -108849.2628 299.0700 -267.1296 -233.8477 763633.0098 8.2368 8.4656 PRESSURE: 1278000 384.116 74.3762 -185.376 74.3763 -385.101 184.593 -185.376 184.593 307.498 GPRESSURE: 1278000 285.477 69.7634 -188.632 184.446 -253.61 244.723 -274.742 164.532 362.033 PRESSAVG: 1278000 55.4699 7.56405 -4.69876 7.56404 -58.8692 -30.9726 -4.6988 -30.9725 -15.0334 GPRESSAVG: 1278000 53.9108 6.80539 -4.07 6.59703 -60.0908 -28.816 -3.87481 -32.7427 -11.825 TIMING: 1278000 CPU: 3988.91, 0.00313682/step Wall: 3988.91, 0.00313682/step, 3.24312 hours remaining, 234.550781 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: 1278000 4076.8006 20571.3434 14458.4332 264.1391 -203765.3992 3082.6464 0.0000 0.0000 51972.8460 -109339.1906 298.6887 -161312.0365 -108975.4562 298.8219 102.1711 131.3000 762651.6285 -6.1442 -6.0017 PRESSURE: 1278200 -316.159 34.5394 39.6278 34.539 -131.773 -125.57 39.6282 -125.569 -160.433 GPRESSURE: 1278200 -305.108 138.859 -7.14867 -76.2206 -48.2248 -97.5794 25.0998 -30.9678 -186.077 PRESSAVG: 1278200 8.36627 25.1771 -1.78575 25.1772 -1.42409 -2.40519 -1.78581 -2.40523 -2.12422 GPRESSAVG: 1278200 7.15052 24.9649 -1.09671 23.2113 1.00946 -3.08094 -1.85337 -0.651174 -3.27365 TIMING: 1278200 CPU: 3989.54, 0.00311341/step Wall: 3989.54, 0.00311341/step, 3.21875 hours remaining, 234.550781 MB of memory in use. ENERGY: 1278200 3965.3232 20474.8552 14463.9004 251.4178 -203296.4256 2706.2949 0.0000 0.0000 52063.9153 -109370.7189 299.2120 -161434.6342 -108997.6997 299.2909 -202.7884 -179.8032 763937.0521 1.6060 1.6288 PRESSURE: 1278400 -90.5807 112.744 -286.857 112.744 -51.4161 -128.719 -286.857 -128.717 294.771 GPRESSURE: 1278400 45.9501 51.8541 -205.87 230.58 -2.95034 -103.15 -100.352 31.9524 206.285 PRESSAVG: 1278400 -15.9857 23.0517 -17.4148 23.0517 -6.07109 -24.6682 -17.4147 -24.6682 -10.5442 GPRESSAVG: 1278400 -14.211 23.1894 -17.1795 25.0165 -6.76506 -25.454 -16.5242 -22.8653 -11.981 TIMING: 1278400 CPU: 3990.16, 0.00312527/step Wall: 3990.16, 0.00312527/step, 3.23083 hours remaining, 234.550781 MB of memory in use. ENERGY: 1278400 4013.2320 20519.5807 14355.2134 229.9621 -203493.9775 2880.4880 0.0000 0.0000 52192.3349 -109303.1663 299.9501 -161495.5012 -108937.0591 299.0641 50.9248 83.0948 763538.6873 -10.8670 -10.9857 PRESSURE: 1278600 -471.316 48.5997 61.8464 48.599 126.043 102.403 61.846 102.404 -203.829 GPRESSURE: 1278600 -436.008 36.525 104.093 47.528 170.789 136.76 169.896 67.3673 -191.195 PRESSAVG: 1278600 0.398525 -10.803 46.7922 -10.803 -3.61089 -7.13822 46.7922 -7.13834 -22.2869 GPRESSAVG: 1278600 -1.26899 -13.3222 46.1898 -10.7003 -4.15696 -5.29055 46.9282 -10.1742 -20.4665 TIMING: 1278600 CPU: 3990.79, 0.00313504/step Wall: 3990.79, 0.00313504/step, 3.24076 hours remaining, 234.550781 MB of memory in use. ENERGY: 1278600 3982.5336 20600.3485 14375.0690 228.9072 -203208.2124 2589.6815 0.0000 0.0000 51992.4375 -109439.2351 298.8013 -161431.6726 -109074.3292 299.2205 -183.0338 -152.1379 762622.7338 -8.4998 -8.6308 PRESSURE: 1278800 199.775 17.452 320.618 17.4526 -64.0828 -171.173 320.618 -171.172 175.272 GPRESSURE: 1278800 205.159 21.4546 342.84 -41.1638 -1.94338 -235.798 84.4271 -152.557 171.763 PRESSAVG: 1278800 -22.6383 -23.6648 31.7511 -23.6649 13.2375 52.3296 31.7511 52.3296 13.8664 GPRESSAVG: 1278800 -20.1462 -22.9598 30.9815 -24.6182 13.4075 50.0387 29.1422 53.9284 11.5938 TIMING: 1278800 CPU: 3991.41, 0.00312508/step Wall: 3991.41, 0.00312508/step, 3.23029 hours remaining, 234.550781 MB of memory in use. ENERGY: 1278800 3943.5505 20463.5347 14404.3530 237.1041 -204047.9407 3313.4889 0.0000 0.0000 52238.0897 -109447.8197 300.2130 -161685.9094 -109085.1555 299.1373 103.6548 124.9927 763064.4075 1.4886 1.6184 PRESSURE: 1279000 60.5479 -92.8384 -31.7088 -92.8386 -225.04 91.3044 -31.7088 91.3048 20.4165 GPRESSURE: 1279000 83.2097 -77.0171 -96.5688 -149.539 -240.304 125.185 18.8271 71.9206 100.775 PRESSAVG: 1279000 -1.69289 -73.2918 -6.71356 -73.2918 5.18182 -9.94206 -6.71355 -9.94203 -12.9887 GPRESSAVG: 1279000 -3.43547 -73.3985 -4.89833 -72.9609 6.05808 -10.4264 -6.34144 -9.54019 -12.1906 TIMING: 1279000 CPU: 3992.04, 0.00311686/step Wall: 3992.04, 0.00311686/step, 3.22162 hours remaining, 234.550781 MB of memory in use. ENERGY: 1279000 4058.2810 20504.8039 14465.0031 245.7083 -202941.9784 2665.8745 0.0000 0.0000 51881.1491 -109121.1585 298.1617 -161002.3076 -108757.4526 299.1410 -48.0253 -18.7732 763670.4810 -3.1666 -3.1893 PRESSURE: 1279200 -152.734 -35.9403 -65.2688 -35.9407 -436.189 105.253 -65.2689 105.254 -169.283 GPRESSURE: 1279200 -109.755 -8.49772 -45.5775 -116.493 -386.62 31.3915 -22.7521 198.226 -153.859 PRESSAVG: 1279200 7.44879 -51.3969 -39.9403 -51.3969 17.8263 -5.81753 -39.9403 -5.81756 -13.9742 GPRESSAVG: 1279200 7.27788 -50.971 -41.4337 -52.6751 17.674 -4.97317 -38.9909 -7.25025 -13.2213 TIMING: 1279200 CPU: 3992.66, 0.0031156/step Wall: 3992.66, 0.0031156/step, 3.22014 hours remaining, 234.550781 MB of memory in use. ENERGY: 1279200 3954.3966 20413.3284 14444.5917 255.9840 -202783.5185 2376.3124 0.0000 0.0000 52289.1424 -109049.7629 300.5064 -161338.9053 -108683.6445 299.3027 -252.7351 -216.7448 762917.9445 3.7669 3.9102 PRESSURE: 1279400 -329.055 -10.2376 44.6299 -10.2376 -126.133 -9.65988 44.6304 -9.65929 -175.306 GPRESSURE: 1279400 -295.417 169.271 36.1075 -125.865 13.7849 -34.8858 113.301 -100.077 -239.029 PRESSAVG: 1279400 -21.1166 27.3614 1.96047 27.3614 26.3334 -33.9096 1.96046 -33.9096 4.14049 GPRESSAVG: 1279400 -19.8721 25.9509 1.81464 28.9229 26.8163 -33.5702 2.57642 -33.7635 3.00563 TIMING: 1279400 CPU: 3993.28, 0.00311817/step Wall: 3993.28, 0.00311817/step, 3.22263 hours remaining, 234.550781 MB of memory in use. ENERGY: 1279400 4041.3772 20334.0793 14430.0956 246.9857 -203138.1011 2754.9861 0.0000 0.0000 52315.0351 -109015.5420 300.6552 -161330.5770 -108653.1810 299.5238 -210.1649 -173.5537 764379.9296 3.1191 3.3166 PRESSURE: 1279600 -193.79 -175.462 -154.758 -175.461 79.7312 4.41512 -154.758 4.41497 24.2419 GPRESSURE: 1279600 -65.0733 -209.201 -158.21 -192.821 47.6803 -80.8819 -132.008 108.254 5.2187 PRESSAVG: 1279600 -13.2174 -62.0194 -29.0418 -62.0193 15.9518 32.2433 -29.0418 32.2434 9.72985 GPRESSAVG: 1279600 -15.607 -60.3105 -28.1883 -62.1951 18.073 30.979 -28.1773 33.0305 9.60609 TIMING: 1279600 CPU: 3993.91, 0.00311334/step Wall: 3993.91, 0.00311334/step, 3.21746 hours remaining, 234.550781 MB of memory in use. ENERGY: 1279600 4027.9369 20483.6189 14427.9134 249.7706 -203473.7375 3012.4644 0.0000 0.0000 52221.7706 -109050.2627 300.1192 -161272.0334 -108687.9037 299.7586 -29.9389 -4.0581 763361.7452 4.1548 4.0240 PRESSURE: 1279800 -36.5867 141.584 247.52 141.585 -193.111 102.87 247.521 102.869 444.106 GPRESSURE: 1279800 66.3759 157.101 187.538 279.647 -191.782 138.482 46.9073 143.231 414.838 PRESSAVG: 1279800 51.0246 17.2098 -5.419 17.2098 -51.9532 -10.5446 -5.41893 -10.5446 -29.2197 GPRESSAVG: 1279800 51.2381 16.5336 -7.51735 17.811 -53.2065 -8.94663 -7.01771 -12.0673 -28.014 TIMING: 1279800 CPU: 3994.53, 0.00311418/step Wall: 3994.53, 0.00311418/step, 3.21816 hours remaining, 234.550781 MB of memory in use. ENERGY: 1279800 3961.6333 20589.1851 14502.7319 275.2736 -203505.4462 2917.3832 0.0000 0.0000 52198.6020 -109060.6370 299.9861 -161259.2390 -108689.5339 299.5415 71.4694 96.4775 763399.2490 -10.0495 -9.9941 PRESSURE: 1280000 418.097 -27.0181 -93.4471 -27.0181 97.1735 -177.794 -93.4472 -177.794 -162.687 GPRESSURE: 1280000 351.145 -159.924 -175.093 61.2794 157.484 -86.2764 88.3182 -160.84 -63.0605 PRESSAVG: 1280000 44.998 -56.7204 -77.02 -56.7203 -43.502 -36.0559 -77.02 -36.0559 13.6742 GPRESSAVG: 1280000 45.3626 -56.2938 -76.1668 -57.9711 -43.1147 -34.8435 -77.3299 -34.7784 12.8962 TIMING: 1280000 CPU: 3995.15, 0.00312824/step Wall: 3995.15, 0.00312824/step, 3.23251 hours remaining, 234.550781 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: 1280000 4007.7212 20459.0631 14444.9596 248.3521 -203076.9756 2809.6329 0.0000 0.0000 52003.4655 -109103.7810 298.8646 -161107.2465 -108741.5040 299.2057 117.5277 148.5230 762780.8102 5.0567 5.0480 PRESSURE: 1280200 99.9933 -82.1278 -19.3677 -82.1285 30.0456 -61.9153 -19.368 -61.9142 212.815 GPRESSURE: 1280200 169.574 -128.041 -40.0119 -145.959 6.49501 -122.078 49.9532 84.4861 246.646 PRESSAVG: 1280200 -22.3321 10.2153 31.8229 10.2152 10.2709 -50.6595 31.8229 -50.6596 30.3262 GPRESSAVG: 1280200 -21.2725 9.53393 32.1373 10.9498 9.33103 -51.7304 31.7914 -51.1254 29.7761 TIMING: 1280200 CPU: 3995.78, 0.00312302/step Wall: 3995.78, 0.00312302/step, 3.22695 hours remaining, 234.550781 MB of memory in use. ENERGY: 1280200 4030.6891 20529.9131 14403.7817 243.0090 -203490.0901 3127.0541 0.0000 0.0000 52052.7688 -109102.8742 299.1480 -161155.6430 -108744.7536 299.5028 114.2846 140.9049 761929.0304 6.0883 5.9449 LDB: ============= START OF LOAD BALANCING ============== 4008.26 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4008.26 LDB: =============== DONE WITH MIGRATION ================ 4008.26 LDB: ============= START OF LOAD BALANCING ============== 4008.58 LDB: Largest compute 7052 load 0.029651 is 15.2% of average load 0.195008 LDB: Average compute 0.004400 is 2.3% of average load 0.195008 LDB: TIME 4008.58 LOAD: AVG 0.195008 MAX 0.213955 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.02 MB LDB: TIME 4008.58 LOAD: AVG 0.195008 MAX 0.213955 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.02 MB LDB: TIME 4008.58 LOAD: AVG 0.195008 MAX 0.213955 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.02 MB LDB: ============== END OF LOAD BALANCING =============== 4008.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4008.59 PRESSURE: 1280400 66.7131 248.684 -20.4339 248.683 89.8165 -78.6512 -20.4347 -78.6513 213.118 GPRESSURE: 1280400 146.982 268.725 -46.6349 101.067 90.0475 74.7702 39.6848 -260.608 230.895 PRESSAVG: 1280400 -30.4066 -0.555141 -9.29144 -0.555045 11.7179 26.4324 -9.29146 26.4324 10.9587 GPRESSAVG: 1280400 -29.8089 -1.84438 -8.551 -0.558503 11.6936 25.7942 -5.99828 27.3713 10.83 TIMING: 1280400 CPU: 3996.42, 0.00321106/step Wall: 3996.42, 0.00321106/step, 3.31774 hours remaining, 234.023438 MB of memory in use. ENERGY: 1280400 4069.7352 20518.7358 14407.6928 265.3437 -203408.0474 2881.5429 0.0000 0.0000 52085.5026 -109179.4944 299.3361 -161264.9971 -108821.5783 299.6838 123.2160 155.9749 762380.7301 -2.5767 -2.4284 PRESSURE: 1280600 149.891 118.255 31.4928 118.255 471.61 -49.7632 31.4928 -49.7635 162.429 GPRESSURE: 1280600 134.048 146.929 -0.892909 78.1088 524.684 -3.60715 14.8806 -3.73308 208.368 PRESSAVG: 1280600 -3.85559 25.157 10.2849 25.157 5.5783 19.8796 10.2849 19.8796 -43.2335 GPRESSAVG: 1280600 -4.76476 26.6344 9.55341 23.7433 5.42591 20.7561 7.81103 19.9129 -42.5523 TIMING: 1280600 CPU: 3997.05, 0.00313482/step Wall: 3997.05, 0.00313482/step, 3.23879 hours remaining, 234.023438 MB of memory in use. ENERGY: 1280600 3950.1951 20630.8750 14402.6218 226.0182 -203516.3984 2967.7969 0.0000 0.0000 52329.8027 -109009.0886 300.7401 -161338.8914 -108645.4262 299.5114 261.3100 289.0334 761588.1499 -13.8369 -13.9637 PRESSURE: 1280800 42.242 15.5825 126.943 15.5826 -3.49138 6.15812 126.942 6.15721 94.3583 GPRESSURE: 1280800 29.2827 14.0138 118.897 -115.401 65.2673 65.7485 18.902 -67.1742 131.435 PRESSAVG: 1280800 -25.4075 35.07 -18.475 35.07 50.8815 16.5359 -18.475 16.536 29.3154 GPRESSAVG: 1280800 -25.7284 35.3762 -18.9362 33.989 51.0912 16.7856 -18.1095 13.5609 29.729 TIMING: 1280800 CPU: 3997.67, 0.00312715/step Wall: 3997.67, 0.00312715/step, 3.23069 hours remaining, 234.023438 MB of memory in use. ENERGY: 1280800 3936.3510 20399.0305 14429.4827 238.8532 -203050.3253 2847.9740 0.0000 0.0000 52024.6013 -109174.0328 298.9861 -161198.6341 -108811.8288 299.6690 44.3696 75.3282 762049.2951 18.2632 18.3639 PRESSURE: 1281000 606.637 82.3826 69.1431 82.3826 -37.2188 -18.4535 69.1434 -18.4534 213.882 GPRESSURE: 1281000 547.736 119.535 112.111 84.8709 88.1492 -87.9003 129.95 -1.88893 254.348 PRESSAVG: 1281000 -19.8409 22.6526 -5.09526 22.6526 0.252006 27.9009 -5.09522 27.9008 -11.5454 GPRESSAVG: 1281000 -21.2405 21.9125 -2.15537 24.7004 2.52166 29.6785 -5.90409 29.1396 -12.1655 TIMING: 1281000 CPU: 3998.3, 0.00313189/step Wall: 3998.3, 0.00313189/step, 3.23541 hours remaining, 234.023438 MB of memory in use. ENERGY: 1281000 4010.3696 20480.8786 14453.4524 222.6214 -203392.9139 2925.0484 0.0000 0.0000 51965.6864 -109334.8572 298.6475 -161300.5435 -108971.7575 299.1313 261.1002 296.7443 761576.4046 -10.3781 -10.2948 PRESSURE: 1281200 -172.43 31.8565 141.341 31.8561 -259.94 23.5619 141.341 23.5618 199.821 GPRESSURE: 1281200 -192.426 85.2814 121.133 80.487 -213.498 -92.1491 87.7903 -81.1873 277.727 PRESSAVG: 1281200 1.71253 9.22813 -10.2873 9.22812 -13.2692 -20.4049 -10.2873 -20.4049 -6.92169 GPRESSAVG: 1281200 2.74706 12.1831 -9.75581 7.55917 -15.3319 -23.686 -12.281 -18.7989 -5.94262 TIMING: 1281200 CPU: 3998.93, 0.00313679/step Wall: 3998.93, 0.00313679/step, 3.2403 hours remaining, 234.023438 MB of memory in use. ENERGY: 1281200 3896.5976 20428.9936 14436.9151 240.2110 -202283.5246 2268.4958 0.0000 0.0000 51858.1208 -109154.1906 298.0293 -161012.3114 -108802.7412 298.4168 -77.5162 -42.7323 763160.0527 -6.1594 -6.1758 PRESSURE: 1281400 34.8553 -146.689 57.7513 -146.689 379.802 -206.623 57.7514 -206.621 508.002 GPRESSURE: 1281400 147.297 -284.064 95.9951 -131.836 378.597 -128.856 28.6602 -233.15 489.565 PRESSAVG: 1281400 11.9765 -7.59367 -35.2864 -7.59372 23.3072 41.8545 -35.2863 41.8545 17.8915 GPRESSAVG: 1281400 12.1584 -9.01788 -37.2901 -6.69146 22.8016 42.5702 -32.064 42.3163 18.117 TIMING: 1281400 CPU: 3999.56, 0.00314035/step Wall: 3999.56, 0.00314035/step, 3.24381 hours remaining, 234.023438 MB of memory in use. ENERGY: 1281400 3942.6151 20344.7642 14393.0300 248.3540 -203399.8015 3109.4900 0.0000 0.0000 52026.5495 -109334.9987 298.9973 -161361.5482 -108971.6348 299.3807 307.5530 338.4862 761859.8936 17.7251 17.6923 PRESSURE: 1281600 -324.933 -255.801 -36.4213 -255.802 -116.781 104.554 -36.4218 104.553 94.2593 GPRESSURE: 1281600 -184.984 -166.244 -50.5697 -227.842 -151.319 156.81 59.9489 -0.932851 75.7249 PRESSAVG: 1281600 -22.9526 22.3386 -21.0216 22.3386 -15.3237 -15.2519 -21.0216 -15.2519 -2.18981 GPRESSAVG: 1281600 -22.6726 22.9711 -20.9767 23.5765 -14.7163 -15.3213 -21.6362 -17.906 -3.26245 TIMING: 1281600 CPU: 4000.18, 0.00313517/step Wall: 4000.18, 0.00313517/step, 3.23828 hours remaining, 234.023438 MB of memory in use. ENERGY: 1281600 3905.5591 20472.4434 14445.4283 261.1225 -203227.2322 2620.5108 0.0000 0.0000 52296.3690 -109225.7991 300.5480 -161522.1681 -108862.0701 298.7723 -115.8181 -86.8595 763429.8815 -13.4887 -13.5505 PRESSURE: 1281800 169.309 19.2759 52.8191 19.2758 -73.3987 -113.01 52.8192 -113.009 -124.649 GPRESSURE: 1281800 166.652 91.9878 -40.0874 95.348 28.3053 -178.746 25.0179 -72.4715 -138.996 PRESSAVG: 1281800 28.0772 6.34416 -16.0678 6.34409 -15.3619 -0.263399 -16.0678 -0.26347 -1.65716 GPRESSAVG: 1281800 28.6247 3.99996 -15.7952 8.24421 -15.9958 -0.599717 -17.4055 1.20582 -1.09295 TIMING: 1281800 CPU: 4000.81, 0.00313143/step Wall: 4000.81, 0.00313143/step, 3.23424 hours remaining, 234.023438 MB of memory in use. ENERGY: 1281800 3975.8978 20234.0163 14438.3559 228.3436 -202800.5856 2501.5788 0.0000 0.0000 52079.4781 -109342.9151 299.3015 -161422.3932 -108978.4571 299.0253 -9.5797 18.6537 762683.7407 3.6860 3.8453 PRESSURE: 1282000 -99.1453 -35.9312 177.208 -35.9317 75.4956 -62.2495 177.208 -62.2496 -200.164 GPRESSURE: 1282000 23.6546 -76.0594 77.781 79.8551 38.007 -33.2934 82.8733 -10.3749 -210.73 PRESSAVG: 1282000 -26.9988 -74.7366 17.0411 -74.7366 28.9958 4.69067 17.0412 4.69068 -1.57431 GPRESSAVG: 1282000 -26.8619 -74.1941 14.6178 -75.5139 28.5494 4.03724 18.7909 6.30719 -1.16553 TIMING: 1282000 CPU: 4001.44, 0.00313141/step Wall: 4001.44, 0.00313141/step, 3.23405 hours remaining, 234.023438 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: 1282000 3936.5244 20394.1777 14480.0090 244.7569 -203070.0791 2757.3811 0.0000 0.0000 51877.2682 -109379.9619 298.1394 -161257.2301 -109029.4546 298.4206 -74.6047 -49.6895 762890.7191 0.1409 0.1740 PRESSURE: 1282200 -171.46 -180.086 -34.0216 -180.087 233.295 57.6762 -34.0219 57.6764 -117.912 GPRESSURE: 1282200 -78.6775 -78.4545 -23.7401 -181.422 242.444 2.48353 -45.75 -89.6791 -130.667 PRESSAVG: 1282200 -23.1151 30.9409 24.6372 30.9409 -3.90841 -74.2632 24.6372 -74.2631 1.94494 GPRESSAVG: 1282200 -23.8927 32.3486 25.7279 28.226 -3.00895 -75.0396 22.2805 -75.8419 1.40132 TIMING: 1282200 CPU: 4002.06, 0.00314165/step Wall: 4002.06, 0.00314165/step, 3.24445 hours remaining, 234.023438 MB of memory in use. ENERGY: 1282200 4000.1512 20447.6087 14443.5630 247.3052 -203073.8866 2950.0400 0.0000 0.0000 51721.9710 -109263.2476 297.2469 -160985.2185 -108916.9691 298.3976 -18.6925 11.0331 764070.6215 -8.3595 -8.5001 PRESSURE: 1282400 361.497 -112.986 -169.121 -112.986 38.8759 17.4976 -169.121 17.4979 215.596 GPRESSURE: 1282400 354.455 -128.075 -234.083 -13.7454 86.3788 19.6198 -104.543 -62.5955 257.806 PRESSAVG: 1282400 -21.8498 -25.0463 0.982527 -25.0462 40.6713 -28.8805 0.982534 -28.8805 3.34876 GPRESSAVG: 1282400 -22.1725 -25.1171 0.510088 -25.6108 40.2763 -28.4774 2.52719 -30.9697 3.38799 TIMING: 1282400 CPU: 4002.69, 0.0031411/step Wall: 4002.69, 0.0031411/step, 3.2437 hours remaining, 234.023438 MB of memory in use. ENERGY: 1282400 3897.9664 20397.7454 14483.0061 248.5021 -203335.9309 2874.3813 0.0000 0.0000 52194.4008 -109239.9286 299.9619 -161434.3295 -108874.0192 298.6652 205.3228 232.8799 760244.6446 7.3901 7.1639 PRESSURE: 1282600 -30.2751 -55.9984 63.3524 -55.9974 -12.9486 -147.258 63.3524 -147.258 -9.58819 GPRESSURE: 1282600 -5.1839 -138.943 58.5154 3.28127 -89.2607 -153.095 -32.2047 20.5247 101.63 PRESSAVG: 1282600 -39.0157 -64.3319 33.3049 -64.3319 35.9141 -39.8459 33.3049 -39.846 2.86999 GPRESSAVG: 1282600 -38.8376 -63.9775 33.079 -61.6626 35.3781 -38.8506 33.7995 -37.8471 3.41675 TIMING: 1282600 CPU: 4003.32, 0.003143/step Wall: 4003.32, 0.003143/step, 3.2455 hours remaining, 234.023438 MB of memory in use. ENERGY: 1282600 3992.3337 20534.7996 14441.6609 251.4707 -202968.2986 2647.4743 0.0000 0.0000 51669.6662 -109430.8933 296.9463 -161100.5595 -109069.3129 298.6940 -17.6040 2.3951 763217.0361 -0.0772 -0.0143 PRESSURE: 1282800 215.698 29.9602 158.914 29.9598 -6.05556 -144.868 158.914 -144.868 -320.519 GPRESSURE: 1282800 232.139 29.5009 177.778 -86.3301 44.7636 -172.482 53.689 36.9121 -303.854 PRESSAVG: 1282800 36.7804 -8.29548 -29.4811 -8.29546 -28.1789 -18.1265 -29.4811 -18.1265 -23.951 GPRESSAVG: 1282800 36.4178 -8.76484 -28.2084 -7.31468 -26.9414 -17.6543 -32.1418 -17.1874 -24.8383 TIMING: 1282800 CPU: 4003.95, 0.00316206/step Wall: 4003.95, 0.00316206/step, 3.265 hours remaining, 234.023438 MB of memory in use. ENERGY: 1282800 4017.5431 20418.3160 14364.3379 239.8008 -203421.3328 3074.1499 0.0000 0.0000 51949.5864 -109357.5987 298.5550 -161307.1851 -109000.5596 298.4323 -36.9588 -8.9838 763355.0645 -5.1165 -5.1206 PRESSURE: 1283000 -101 -52.5846 77.8377 -52.5851 -115.534 -329.163 77.8365 -329.163 -623.793 GPRESSURE: 1283000 -24.2337 -5.45358 33.7864 -85.5205 -139.121 -307.181 -32.2945 -336.262 -582.23 PRESSAVG: 1283000 -77.1685 48.018 4.47215 48.018 28.1277 -55.9192 4.47212 -55.9192 -1.73734 GPRESSAVG: 1283000 -76.2782 49.6763 2.19397 47.9018 27.8198 -56.4307 5.18349 -55.3589 -1.96465 TIMING: 1283000 CPU: 4004.58, 0.0031379/step Wall: 4004.58, 0.0031379/step, 3.23988 hours remaining, 234.023438 MB of memory in use. ENERGY: 1283000 4000.8701 20405.4513 14409.3949 239.5771 -202774.4003 2481.5495 0.0000 0.0000 51887.7805 -109349.7768 298.1998 -161237.5573 -108975.7669 298.6063 -280.1088 -248.5282 764102.8370 -16.9260 -16.8077 PRESSURE: 1283200 -251.746 -93.389 451.272 -93.3887 -336.101 74.6546 451.272 74.6549 -318.867 GPRESSURE: 1283200 -234.122 -135.415 440.431 -70.61 -292.191 124.911 443.358 181.603 -299.311 PRESSAVG: 1283200 0.597006 -18.1491 6.58158 -18.1491 -5.59031 -39.8146 6.58156 -39.8146 -12.9143 GPRESSAVG: 1283200 0.525664 -18.5386 7.97014 -19.5399 -6.09094 -39.7665 6.70241 -41.6648 -12.0138 TIMING: 1283200 CPU: 4005.21, 0.00315981/step Wall: 4005.21, 0.00315981/step, 3.26233 hours remaining, 234.023438 MB of memory in use. ENERGY: 1283200 3971.5976 20626.9755 14390.1962 258.0381 -203237.2979 2664.6231 0.0000 0.0000 51946.4991 -109379.3682 298.5372 -161325.8673 -109015.8771 298.6054 -302.2380 -275.2082 764576.7773 -5.9692 -5.8597 PRESSURE: 1283400 104.611 63.0038 -310.923 63.0039 -170.513 17.8888 -310.923 17.8875 52.3675 GPRESSURE: 1283400 125.487 57.742 -193.643 53.7361 -113.791 -51.7223 -287.692 -15.7706 56.4568 PRESSAVG: 1283400 14.2244 -9.22547 26.6977 -9.22558 5.6374 -34.5238 26.6976 -34.5238 -12.7349 GPRESSAVG: 1283400 14.3731 -9.17232 26.8901 -8.75263 6.18977 -33.9457 25.0857 -34.1132 -13.5716 TIMING: 1283400 CPU: 4005.85, 0.00319516/step Wall: 4005.85, 0.00319516/step, 3.29864 hours remaining, 234.023438 MB of memory in use. ENERGY: 1283400 3987.2711 20683.5308 14467.3782 241.1151 -203116.3401 2783.5770 0.0000 0.0000 51817.8938 -109135.5740 297.7981 -160953.4679 -108783.5256 298.7939 -4.5115 22.7174 764096.8210 2.3756 2.3304 PRESSURE: 1283600 -197.344 87.7033 6.7352 87.7038 -56.2659 -161.272 6.7357 -161.272 -204.882 GPRESSURE: 1283600 -142.951 117.631 -1.82727 163.773 -51.8307 -99.534 -69.8375 -240.671 -191.937 PRESSAVG: 1283600 9.10197 -9.836 24.071 -9.83596 -62.4121 -45.8788 24.071 -45.8788 17.4704 GPRESSAVG: 1283600 9.17593 -10.4996 24.269 -7.85775 -62.4702 -45.7278 24.6148 -47.1882 17.8065 TIMING: 1283600 CPU: 4006.48, 0.0031662/step Wall: 4006.48, 0.0031662/step, 3.26857 hours remaining, 234.023438 MB of memory in use. ENERGY: 1283600 3989.3846 20558.1373 14406.6104 234.0066 -203261.1808 2778.6964 0.0000 0.0000 52025.9344 -109268.4111 298.9938 -161294.3455 -108912.8689 298.9118 -152.8306 -128.9061 763859.5070 -11.9466 -11.8293 PRESSURE: 1283800 -177.287 91.4298 -110.943 91.4301 86.8631 -7.44086 -110.944 -7.4413 174.973 GPRESSURE: 1283800 -117.371 62.208 -174.652 289.02 63.3825 1.65874 4.42899 38.464 213.351 PRESSAVG: 1283800 39.572 -2.87454 -53.9993 -2.87457 -14.6498 -4.89541 -53.9993 -4.8953 5.66278 GPRESSAVG: 1283800 39.5106 -2.61911 -56.5729 -3.74275 -14.5686 -4.56672 -52.0802 -3.93615 5.33781 TIMING: 1283800 CPU: 4007.12, 0.0031552/step Wall: 4007.12, 0.0031552/step, 3.25704 hours remaining, 234.023438 MB of memory in use. ENERGY: 1283800 4022.7837 20334.1312 14492.9610 244.3099 -203249.4016 2947.0929 0.0000 0.0000 52022.2577 -109185.8652 298.9726 -161208.1229 -108810.9908 298.9502 28.1832 53.1208 762720.3276 10.1950 10.0933 PRESSURE: 1284000 71.5096 148.439 70.2721 148.439 -100.145 96.8101 70.273 96.8111 -65.717 GPRESSURE: 1284000 24.2784 120.309 87.1025 174.625 -15.4745 110.471 -17.9397 -42.9063 -34.7613 PRESSAVG: 1284000 -25.9648 -30.9145 -42.9384 -30.9145 36.2365 -27.4477 -42.9383 -27.4477 2.58349 GPRESSAVG: 1284000 -26.1087 -30.5112 -40.2353 -30.6672 37.0538 -29.5779 -44.3488 -27.0201 1.57648 TIMING: 1284000 CPU: 4007.75, 0.00314753/step Wall: 4007.75, 0.00314753/step, 3.24895 hours remaining, 234.023438 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: 1284000 3923.7028 20509.2679 14454.8638 246.9435 -202633.8471 2490.9415 0.0000 0.0000 51806.9823 -109201.1453 297.7354 -161008.1276 -108842.7015 298.5916 -31.4507 -8.6525 765391.8402 4.2851 4.1739 PRESSURE: 1284200 -133.102 124.632 -20.9187 124.632 -237.846 23.6429 -20.9186 23.6424 -124.963 GPRESSURE: 1284200 -130.357 155.954 -65.4758 23.5553 -166.647 -5.6934 -3.8242 -35.206 -125.048 PRESSAVG: 1284200 -10.0824 -13.4776 1.00143 -13.4776 25.4523 -12.6625 1.00135 -12.6624 22.6435 GPRESSAVG: 1284200 -10.1281 -13.8137 0.575333 -13.6876 24.6635 -12.2831 2.35463 -13.7641 23.6054 TIMING: 1284200 CPU: 4008.38, 0.00316387/step Wall: 4008.38, 0.00316387/step, 3.26564 hours remaining, 234.023438 MB of memory in use. ENERGY: 1284200 3968.9910 20419.4620 14438.2136 253.2662 -203137.1019 2737.7903 0.0000 0.0000 52008.2762 -109311.1026 298.8923 -161319.3789 -108947.9130 298.7174 -165.3038 -140.6841 764679.1062 12.6712 12.7136 LDB: ============= START OF LOAD BALANCING ============== 4020.86 LDB: ============== END OF LOAD BALANCING =============== 4020.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4020.86 LDB: ============= START OF LOAD BALANCING ============== 4021.17 LDB: Largest compute 7052 load 0.029347 is 15.0% of average load 0.195027 LDB: Average compute 0.004405 is 2.3% of average load 0.195027 LDB: TIME 4021.18 LOAD: AVG 0.195027 MAX 0.212303 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.793 MB LDB: TIME 4021.18 LOAD: AVG 0.195027 MAX 0.212303 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235 MB LDB: TIME 4021.18 LOAD: AVG 0.195027 MAX 0.212303 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235 MB LDB: ============== END OF LOAD BALANCING =============== 4021.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4021.18 PRESSURE: 1284400 228.352 10.7623 144.402 10.7618 -352.734 -163.968 144.402 -163.968 -506.62 GPRESSURE: 1284400 123.248 -8.96791 93.756 0.322482 -318.519 -79.5231 60.1031 -109.842 -337.352 PRESSAVG: 1284400 -22.2019 6.1096 -19.6451 6.10961 7.76867 -33.1823 -19.6452 -33.1824 -16.1808 GPRESSAVG: 1284400 -21.778 4.82148 -19.0434 4.39073 7.35082 -32.6643 -23.4111 -31.7628 -16.3128 TIMING: 1284400 CPU: 4009.02, 0.00319323/step Wall: 4009.02, 0.00319323/step, 3.29577 hours remaining, 235.367188 MB of memory in use. ENERGY: 1284400 3945.5508 20427.4250 14384.2156 249.9539 -202809.7710 2597.0582 0.0000 0.0000 51999.7780 -109205.7896 298.8434 -161205.5676 -108851.7677 298.6648 -210.3338 -177.5409 764594.8033 -10.2047 -10.2467 PRESSURE: 1284600 79.7398 -110.623 111.397 -110.623 198.407 217.464 111.398 217.464 -234.797 GPRESSURE: 1284600 104.436 -100.168 192.287 -89.8712 286.686 165.683 237.819 144.997 -265.746 PRESSAVG: 1284600 -4.27026 7.90593 25.369 7.90588 12.8036 -32.6538 25.369 -32.6536 -3.23868 GPRESSAVG: 1284600 -3.96633 8.56407 25.9151 10.7633 12.8609 -32.3064 27.3183 -32.8769 -3.80267 TIMING: 1284600 CPU: 4009.65, 0.00314227/step Wall: 4009.65, 0.00314227/step, 3.24299 hours remaining, 235.367188 MB of memory in use. ENERGY: 1284600 3979.3073 20418.1344 14406.6844 255.4113 -203506.0069 3061.1366 0.0000 0.0000 51887.2704 -109498.0625 298.1969 -161385.3329 -109136.5185 298.7822 14.4502 41.7917 764887.3531 1.7649 1.6973 PRESSURE: 1284800 -58.6692 76.2763 -31.5268 76.2767 -150.249 48.3468 -31.5272 48.3471 349.043 GPRESSURE: 1284800 -56.4351 96.9514 -69.5529 -48.5931 -34.632 38.9371 -96.3373 12.6429 337.18 PRESSAVG: 1284800 -26.0855 -54.6782 24.9994 -54.6782 18.1953 0.546912 24.9994 0.546902 5.90628 GPRESSAVG: 1284800 -27.5065 -54.7102 24.5286 -55.6914 19.9038 1.26633 24.7798 -0.114441 5.85615 TIMING: 1284800 CPU: 4010.28, 0.00315319/step Wall: 4010.28, 0.00315319/step, 3.2541 hours remaining, 235.367188 MB of memory in use. ENERGY: 1284800 3926.0393 20398.1064 14425.8931 249.8128 -203019.3087 2854.8540 0.0000 0.0000 51602.2003 -109562.4028 296.5586 -161164.6030 -109201.9115 298.2249 46.7084 82.0376 764758.4684 -0.6613 -0.5822 PRESSURE: 1285000 -244.737 288.189 187.87 288.189 229.344 26.7492 187.87 26.75 515.654 GPRESSURE: 1285000 -110.659 384.324 93.8639 309.177 206.185 96.568 187.427 -58.5907 476.752 PRESSAVG: 1285000 -1.16389 -36.5477 3.30317 -36.5477 -19.8125 -80.6451 3.30318 -80.645 -13.9683 GPRESSAVG: 1285000 0.214786 -35.5313 2.64726 -37.0663 -21.1284 -80.995 5.88771 -80.7738 -13.5811 TIMING: 1285000 CPU: 4010.9, 0.00314263/step Wall: 4010.9, 0.00314263/step, 3.24302 hours remaining, 235.367188 MB of memory in use. ENERGY: 1285000 3992.8763 20411.7355 14415.8971 249.2963 -203166.7358 2613.8603 0.0000 0.0000 51898.1644 -109584.9060 298.2595 -161483.0704 -109230.7821 297.8371 166.7533 190.7594 762761.7295 -11.6482 -11.4982 PRESSURE: 1285200 117.498 88.0691 125.007 88.0696 -202.459 -38.3393 125.007 -38.3388 -224.822 GPRESSURE: 1285200 128.464 144.991 125.662 -74.9846 -153.997 60.2018 15.288 -69.7838 -198.753 PRESSAVG: 1285200 -26.8009 -29.0726 11.2565 -29.0726 54.4433 -66.6942 11.2566 -66.6941 -23.9163 GPRESSAVG: 1285200 -27.0463 -29.0609 11.5243 -29.5734 54.9613 -65.3296 8.55151 -67.7088 -24.08 TIMING: 1285200 CPU: 4011.54, 0.00315664/step Wall: 4011.54, 0.00315664/step, 3.2573 hours remaining, 235.367188 MB of memory in use. ENERGY: 1285200 4017.0202 20545.3617 14496.8746 250.5846 -203484.9024 2866.2527 0.0000 0.0000 51872.7342 -109436.0744 298.1133 -161308.8086 -109071.3123 298.2438 -103.2611 -74.7620 761062.1891 1.2420 1.2783 PRESSURE: 1285400 410.699 25.4626 118.5 25.4628 281.535 -15.5661 118.5 -15.5653 284.661 GPRESSURE: 1285400 425.766 8.95219 142.138 82.4342 320.699 -42.8234 148.803 -31.2147 307.621 PRESSAVG: 1285400 39.8885 -23.691 11.4462 -23.6909 3.77861 -69.9087 11.4463 -69.9086 -4.17762 GPRESSAVG: 1285400 40.2781 -25.0865 12.7796 -22.031 2.74227 -72.4358 10.6088 -66.3132 -3.03389 TIMING: 1285400 CPU: 4012.16, 0.00314512/step Wall: 4012.16, 0.00314512/step, 3.24524 hours remaining, 235.367188 MB of memory in use. ENERGY: 1285400 3837.8713 20489.2904 14383.5116 249.3904 -203094.4545 2674.1701 0.0000 0.0000 52039.5668 -109420.6539 299.0721 -161460.2207 -109062.3093 298.7616 325.6316 351.3620 761364.8661 13.1632 13.3288 PRESSURE: 1285600 164.797 225.819 -91.9637 225.819 -418.14 -37.5266 -91.9648 -37.5263 -8.25526 GPRESSURE: 1285600 178.333 133.971 -46.6008 103.066 -295.918 64.3855 -51.2918 -101.466 -64.6117 PRESSAVG: 1285600 33.2594 -33.1096 -27.7481 -33.1096 -68.3863 -60.7425 -27.7481 -60.7424 12.5441 GPRESSAVG: 1285600 31.6029 -33.2106 -27.7392 -34.2624 -67.2951 -60.56 -27.3192 -63.4389 12.281 TIMING: 1285600 CPU: 4012.79, 0.00314872/step Wall: 4012.79, 0.00314872/step, 3.24878 hours remaining, 235.367188 MB of memory in use. ENERGY: 1285600 3962.9471 20564.2841 14417.8223 272.1688 -203421.9908 2907.0443 0.0000 0.0000 51750.5461 -109547.1781 297.4111 -161297.7243 -109186.2616 297.8909 -87.1995 -60.7323 763596.7567 -7.5276 -7.8037 PRESSURE: 1285800 -0.459288 -119.574 112.413 -119.575 -191.761 -193.762 112.412 -193.761 -36.4826 GPRESSURE: 1285800 74.0202 -116.996 54.1777 -23.0858 -176.839 -229.005 9.60128 -8.86529 -25.5047 PRESSAVG: 1285800 0.110148 14.1993 -10.7784 14.1992 -8.13009 -94.81 -10.7785 -94.8099 0.193654 GPRESSAVG: 1285800 1.33088 15.3867 -12.0974 15.7447 -8.0727 -94.0468 -9.00155 -93.864 -0.76327 TIMING: 1285800 CPU: 4013.42, 0.00315234/step Wall: 4013.42, 0.00315234/step, 3.25234 hours remaining, 235.367188 MB of memory in use. ENERGY: 1285800 3950.0069 20319.9178 14441.2641 267.8211 -203299.5025 2524.9138 0.0000 0.0000 52248.6523 -109546.9264 300.2737 -161795.5787 -109192.3075 298.5478 -76.2342 -42.7745 762468.0289 -2.6088 -2.5017 PRESSURE: 1286000 -444.221 -46.8166 6.77311 -46.8177 -148.553 -176.197 6.77293 -176.197 -126.718 GPRESSURE: 1286000 -320.242 -41.4818 21.4704 -75.8423 -135.809 -172.728 49.6911 -150.189 -170.044 PRESSAVG: 1286000 39.0075 -2.00526 -35.4007 -2.00534 -46.2328 -38.7387 -35.4008 -38.7387 5.3086 GPRESSAVG: 1286000 37.5084 -2.13814 -35.5058 -3.06537 -45.9018 -38.869 -35.7361 -38.3173 6.35353 TIMING: 1286000 CPU: 4014.06, 0.00315899/step Wall: 4014.06, 0.00315899/step, 3.25903 hours remaining, 235.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1286000 3975.7610 20363.0692 14382.5473 254.0926 -202483.6246 2384.3655 0.0000 0.0000 52006.0967 -109117.6924 298.8798 -161123.7890 -108755.7188 299.1281 -239.8310 -208.6984 762715.3069 -0.6389 -0.6800 PRESSURE: 1286200 109.539 -60.1523 -4.86002 -60.1516 -102.053 -19.9927 -4.86048 -19.9928 -28.6136 GPRESSURE: 1286200 143.725 47.514 154.26 102.302 -13.5803 -31.381 -17.3813 -64.7186 -73.2635 PRESSAVG: 1286200 30.6438 42.8856 -27.6314 42.8857 13.0532 -83.2081 -27.6314 -83.2079 5.14968 GPRESSAVG: 1286200 31.9363 42.5766 -25.3928 44.3777 10.9476 -82.5763 -27.4276 -84.6826 5.75242 TIMING: 1286200 CPU: 4014.68, 0.00313373/step Wall: 4014.68, 0.00313373/step, 3.23279 hours remaining, 235.367188 MB of memory in use. ENERGY: 1286200 4010.7699 20575.2858 14502.7761 247.3206 -202865.5801 2651.1533 0.0000 0.0000 51969.0547 -108909.2197 298.6669 -160878.2744 -108563.6658 299.6520 -7.0425 18.9603 761457.8672 16.2822 16.2121 PRESSURE: 1286400 -77.098 276.787 -126.144 276.786 -13.0648 12.6613 -126.144 12.661 228.944 GPRESSURE: 1286400 -40.4841 206.962 -176.731 119.48 97.034 -16.5648 -148.549 89.8893 175.445 PRESSAVG: 1286400 14.753 9.87865 -3.82044 9.87853 -29.8171 -49.6488 -3.82045 -49.6488 5.84366 GPRESSAVG: 1286400 13.7094 11.4462 -6.85495 7.82143 -28.2693 -50.5428 -3.72061 -48.66 5.22062 TIMING: 1286400 CPU: 4015.31, 0.00314161/step Wall: 4015.31, 0.00314161/step, 3.24074 hours remaining, 235.367188 MB of memory in use. ENERGY: 1286400 3978.6603 20533.6105 14459.4445 223.8551 -203333.9799 2900.5016 0.0000 0.0000 52466.3269 -108771.5809 301.5247 -161237.9079 -108415.7770 300.1325 46.2603 77.3315 762959.9246 -3.0735 -3.1131 PRESSURE: 1286600 286.267 -48.6117 8.44892 -48.6119 -88.3924 -182.251 8.44975 -182.25 191.299 GPRESSURE: 1286600 348.661 -58.0396 16.4696 -108.716 -170.605 -261.764 -8.12315 -5.60484 274.738 PRESSAVG: 1286600 -10.1249 5.21895 -55.7304 5.21905 22.3809 -24.6302 -55.7304 -24.6302 19.9664 GPRESSAVG: 1286600 -9.54201 4.03288 -53.0496 5.92849 21.9308 -24.1974 -56.4396 -25.0924 20.1936 TIMING: 1286600 CPU: 4015.94, 0.00313132/step Wall: 4015.94, 0.00313132/step, 3.22996 hours remaining, 235.367188 MB of memory in use. ENERGY: 1286600 3990.0709 20439.0260 14469.5312 238.7226 -203028.1173 2891.1085 0.0000 0.0000 52159.7638 -108839.8943 299.7629 -160999.6581 -108487.1197 299.9445 129.7244 150.9313 764192.3115 10.7408 10.8608 PRESSURE: 1286800 23.904 62.0057 60.4187 62.006 168.16 177.661 60.4188 177.662 152.278 GPRESSURE: 1286800 169.569 150.971 19.8023 87.1474 119.641 194.749 133.145 142.545 140.532 PRESSAVG: 1286800 57.1687 36.3686 28.9076 36.3685 -39.0221 -1.03736 28.9075 -1.03731 -16.0089 GPRESSAVG: 1286800 56.8035 36.0653 27.529 36.216 -38.2973 -1.51928 28.6521 -1.5682 -16.3361 TIMING: 1286800 CPU: 4016.57, 0.00315076/step Wall: 4016.57, 0.00315076/step, 3.24983 hours remaining, 235.367188 MB of memory in use. ENERGY: 1286800 3974.7376 20327.3583 14463.1606 239.2130 -203143.4695 2856.9467 0.0000 0.0000 52236.2978 -109045.7556 300.2027 -161282.0534 -108684.4007 299.7513 114.7809 143.2472 762717.3751 0.7126 0.7234 PRESSURE: 1287000 361.447 155.573 -85.3497 155.574 -42.5074 62.4602 -85.3487 62.4599 -124.266 GPRESSURE: 1287000 349.166 158.975 -15.4543 82.9595 113.24 97.6779 -175.053 72.3772 -195.293 PRESSAVG: 1287000 2.01555 43.0108 34.2932 43.0108 8.84135 -5.87331 34.2932 -5.87326 0.600065 GPRESSAVG: 1287000 2.18227 41.9834 33.5381 43.339 8.22276 -7.42866 33.6017 -5.24846 0.307605 TIMING: 1287000 CPU: 4017.2, 0.00314405/step Wall: 4017.2, 0.00314405/step, 3.24273 hours remaining, 235.367188 MB of memory in use. ENERGY: 1287000 3943.3622 20488.0307 14430.0240 237.6729 -202790.7140 2667.9397 0.0000 0.0000 51989.9824 -109033.7022 298.7871 -161023.6846 -108670.4670 299.1834 64.8911 89.0378 763120.5268 3.8190 3.5709 PRESSURE: 1287200 218.796 -140.387 27.7898 -140.387 -177.435 -38.4196 27.7898 -38.4202 -538.37 GPRESSURE: 1287200 137.079 -146.071 46.8894 -83.2275 -83.4624 13.6719 133.097 -47.5701 -483.274 PRESSAVG: 1287200 -6.07127 1.75581 21.7919 1.75576 -3.26688 32.6738 21.7919 32.6739 -0.63073 GPRESSAVG: 1287200 -7.2549 0.756168 23.9317 3.18697 -1.61616 33.1393 22.4826 33.5611 -1.07387 TIMING: 1287200 CPU: 4017.83, 0.00314881/step Wall: 4017.83, 0.00314881/step, 3.24747 hours remaining, 235.367188 MB of memory in use. ENERGY: 1287200 3935.6839 20488.9352 14471.3491 233.1247 -203026.6756 2714.1576 0.0000 0.0000 52226.7422 -108956.6828 300.1478 -161183.4250 -108598.4670 299.6934 -165.6698 -143.2192 763211.6763 -3.3230 -3.3150 PRESSURE: 1287400 16.5095 -15.8873 304.972 -15.8868 12.2636 134.789 304.972 134.791 -182.281 GPRESSURE: 1287400 95.0476 35.5456 236.267 -33.4752 -45.1135 105.422 320.967 70.0018 -114.106 PRESSAVG: 1287400 -46.2767 -6.55996 6.33508 -6.55997 12.1076 45.8688 6.33508 45.8688 0.839039 GPRESSAVG: 1287400 -44.5107 -5.57568 4.47119 -8.15698 11.5259 47.5091 8.95096 43.9183 0.50998 TIMING: 1287400 CPU: 4018.46, 0.00314107/step Wall: 4018.46, 0.00314107/step, 3.23932 hours remaining, 235.367188 MB of memory in use. ENERGY: 1287400 4010.7694 20645.5717 14434.3146 236.0847 -203164.0504 2863.3479 0.0000 0.0000 52109.2745 -108864.6876 299.4727 -160973.9621 -108515.2462 299.1470 -51.1694 -21.3905 762851.0980 -11.1100 -10.8249 PRESSURE: 1287600 -59.0714 135.99 361.116 135.99 -412.944 -33.4172 361.116 -33.4188 -444.143 GPRESSURE: 1287600 -135.784 8.40267 324.38 21.1247 -316.204 -4.6887 303.249 50.7272 -394.071 PRESSAVG: 1287600 -5.99093 44.17 68.5052 44.17 -27.4847 6.16073 68.5052 6.16077 -27.691 GPRESSAVG: 1287600 -5.44152 41.9325 68.1595 45.2653 -28.6499 6.11284 67.4776 4.62868 -27.0946 TIMING: 1287600 CPU: 4019.09, 0.0031513/step Wall: 4019.09, 0.0031513/step, 3.24969 hours remaining, 235.367188 MB of memory in use. ENERGY: 1287600 3973.3247 20527.2735 14431.5428 253.7219 -203084.2111 2708.3869 0.0000 0.0000 52276.5413 -108913.4200 300.4340 -161189.9613 -108540.7558 299.8275 -305.3859 -282.0198 763847.9762 -20.3889 -20.3953 PRESSURE: 1287800 103.095 19.4353 209.558 19.4352 386.501 116.662 209.558 116.662 43.4695 GPRESSURE: 1287800 80.1731 32.8826 152.575 55.6424 513.659 108.308 184.583 218.884 46.4205 PRESSAVG: 1287800 16.5773 46.6417 8.69046 46.6417 -7.36018 2.89681 8.69043 2.89679 6.65936 GPRESSAVG: 1287800 16.8974 50.4124 8.90598 46.0274 -6.82234 2.69499 8.64453 3.15963 5.47676 TIMING: 1287800 CPU: 4019.71, 0.00314241/step Wall: 4019.71, 0.00314241/step, 3.24035 hours remaining, 235.367188 MB of memory in use. ENERGY: 1287800 3943.7588 20419.7714 14458.1843 242.3708 -203220.1322 3069.5299 0.0000 0.0000 52047.0911 -109039.4258 299.1153 -161086.5169 -108675.2450 299.9977 177.6885 213.4176 762599.0848 5.2921 5.1839 PRESSURE: 1288000 89.3006 -241.509 72.2557 -241.51 -293.851 16.9263 72.2559 16.9268 -66.4717 GPRESSURE: 1288000 126.58 -115.426 -0.737194 -306.356 -173.55 -24.7192 156.074 95.9252 -137.183 PRESSAVG: 1288000 1.0042 65.8021 53.8814 65.8021 5.62082 63.5973 53.8814 63.5974 1.06966 GPRESSAVG: 1288000 -1.20688 65.3894 54.6273 64.6918 6.29951 61.3686 54.1386 66.1575 1.8113 TIMING: 1288000 CPU: 4020.35, 0.00315913/step Wall: 4020.35, 0.00315913/step, 3.25741 hours remaining, 235.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1288000 3975.6267 20631.7548 14385.3265 223.8548 -203156.0666 2667.7788 0.0000 0.0000 52140.3888 -109131.3362 299.6515 -161271.7249 -108780.7635 299.0328 -90.3407 -61.3844 762745.1838 2.5649 2.3013 PRESSURE: 1288200 -254.269 3.41757 -23.8104 3.41715 143.201 -141.661 -23.8104 -141.661 -190.245 GPRESSURE: 1288200 -239.101 -16.4343 -26.5796 67.2853 212.272 -126.135 97.4198 -127.856 -183.456 PRESSAVG: 1288200 33.5673 53.6425 29.3075 53.6426 -5.93767 -23.4932 29.3075 -23.4932 23.9852 GPRESSAVG: 1288200 34.3493 52.3969 29.6601 53.7285 -6.43264 -22.13 27.6671 -24.7354 23.3479 TIMING: 1288200 CPU: 4020.98, 0.00314888/step Wall: 4020.98, 0.00314888/step, 3.24668 hours remaining, 235.367188 MB of memory in use. ENERGY: 1288200 4009.1622 20429.8022 14489.3904 252.8519 -203584.9333 2942.1540 0.0000 0.0000 52334.1560 -109127.4166 300.7651 -161461.5726 -108748.1350 299.9868 -100.4379 -70.0952 763982.2096 17.2050 17.0882 LDB: ============= START OF LOAD BALANCING ============== 4033.46 LDB: ============== END OF LOAD BALANCING =============== 4033.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4033.46 LDB: ============= START OF LOAD BALANCING ============== 4033.77 LDB: Largest compute 6998 load 0.030984 is 15.9% of average load 0.194989 LDB: Average compute 0.004393 is 2.3% of average load 0.194989 LDB: TIME 4033.78 LOAD: AVG 0.194989 MAX 0.212781 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.836 MB LDB: TIME 4033.78 LOAD: AVG 0.194989 MAX 0.212781 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.035 MB LDB: TIME 4033.78 LOAD: AVG 0.194989 MAX 0.212781 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.035 MB LDB: ============== END OF LOAD BALANCING =============== 4033.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4033.78 PRESSURE: 1288400 5.69392 115.93 94.0647 115.931 -125.272 -63.0675 94.0644 -63.0679 316.02 GPRESSURE: 1288400 73.3249 68.1899 138.75 39.5749 -123.758 13.0405 15.5697 -80.5628 330.748 PRESSAVG: 1288400 -15.0707 55.4537 -7.27968 55.4537 37.1734 -35.8459 -7.27965 -35.8459 -9.89897 GPRESSAVG: 1288400 -14.3425 55.9204 -6.97736 56.0171 36.0896 -35.6945 -6.75483 -35.0591 -9.03232 TIMING: 1288400 CPU: 4021.62, 0.00320805/step Wall: 4021.62, 0.00320805/step, 3.3075 hours remaining, 233.324219 MB of memory in use. ENERGY: 1288400 4007.3158 20316.7442 14363.5880 259.0103 -203075.1463 2612.0630 0.0000 0.0000 52386.9769 -109129.4481 301.0687 -161516.4250 -108752.4819 299.2018 65.4805 93.4383 762177.2539 4.0679 4.2382 PRESSURE: 1288600 2.25026 72.4453 -112.175 72.4446 -148.35 213.735 -112.174 213.734 54.8419 GPRESSURE: 1288600 37.7126 56.3979 -121.824 86.9602 -178.198 188.168 -120.019 241.017 136.268 PRESSAVG: 1288600 -26.518 88.013 68.6627 88.013 26.2448 20.7818 68.6628 20.7819 -9.82095 GPRESSAVG: 1288600 -26.5008 89.6039 66.9065 86.4374 26.5264 20.8011 70.2991 19.3488 -10.1816 TIMING: 1288600 CPU: 4022.24, 0.00313439/step Wall: 4022.24, 0.00313439/step, 3.23138 hours remaining, 233.324219 MB of memory in use. ENERGY: 1288600 3907.6420 20461.9421 14417.6405 271.4968 -202856.3725 2666.8864 0.0000 0.0000 52079.3747 -109051.3901 299.3009 -161130.7648 -108682.5350 299.2607 -30.4192 -1.4057 761651.1654 -3.3647 -3.3853 PRESSURE: 1288800 195.25 41.1654 70.7915 41.1658 167.221 104.34 70.7911 104.34 325.183 GPRESSURE: 1288800 195.849 0.346186 67.3749 93.0257 220.267 36.5629 103.194 238.559 344.578 PRESSAVG: 1288800 -23.9437 -4.85035 63.3899 -4.8504 43.3781 -8.00618 63.3899 -8.00615 -3.42846 GPRESSAVG: 1288800 -24.877 -7.07376 65.0298 -3.03424 44.241 -8.89628 61.582 -6.96177 -2.81244 TIMING: 1288800 CPU: 4022.87, 0.00314324/step Wall: 4022.87, 0.00314324/step, 3.24033 hours remaining, 233.324219 MB of memory in use. ENERGY: 1288800 3980.9368 20413.8401 14380.8212 252.6869 -203564.2318 2879.3549 0.0000 0.0000 52436.2081 -109220.3839 301.3516 -161656.5919 -108853.0904 299.6454 229.2180 253.5650 761204.3531 5.3353 5.5172 PRESSURE: 1289000 372.201 -29.0519 -186.318 -29.0519 147.47 122.339 -186.317 122.339 152.252 GPRESSURE: 1289000 380.858 32.7148 -101.956 38.598 193.957 43.6405 -41.5041 53.4496 166.061 PRESSAVG: 1289000 -44.7414 10.052 25.7604 10.052 24.3613 18.3749 25.7604 18.3749 -16.4239 GPRESSAVG: 1289000 -44.493 11.0208 26.4417 10.7746 24.3605 19.1196 25.9433 18.9447 -16.8363 TIMING: 1289000 CPU: 4023.5, 0.00313032/step Wall: 4023.5, 0.00313032/step, 3.22683 hours remaining, 233.324219 MB of memory in use. ENERGY: 1289000 3869.8636 20358.3065 14382.4409 261.2760 -202730.8408 2466.1621 0.0000 0.0000 52186.3303 -109206.4615 299.9156 -161392.7918 -108842.6828 299.1159 223.9746 246.9590 760067.7806 -12.2680 -12.3229 PRESSURE: 1289200 -45.0767 100.892 8.24107 100.892 -247.716 46.2081 8.24062 46.2084 -133.401 GPRESSURE: 1289200 5.51125 40.543 -96.6937 77.2332 -204.465 35.2479 -14.3093 44.4869 -164.128 PRESSAVG: 1289200 9.43248 49.1133 -42.4771 49.1133 27.685 29.6709 -42.4771 29.6709 -13.1018 GPRESSAVG: 1289200 9.99755 49.1459 -44.804 48.2638 27.5709 30.7293 -40.515 27.4606 -13.492 TIMING: 1289200 CPU: 4024.13, 0.0031367/step Wall: 4024.13, 0.0031367/step, 3.23324 hours remaining, 233.324219 MB of memory in use. ENERGY: 1289200 4073.9101 20385.0997 14409.4998 239.1633 -202830.3497 2485.4529 0.0000 0.0000 52168.8732 -109068.3508 299.8152 -161237.2240 -108704.0614 299.8998 -142.0646 -121.0272 761396.9597 8.0052 8.0255 PRESSURE: 1289400 88.5068 27.0844 -123.37 27.0833 -70.6792 106.181 -123.369 106.181 -309.023 GPRESSURE: 1289400 -4.54849 -17.473 -130.885 -47.1107 24.7943 21.512 -29.5967 23.5344 -240.562 PRESSAVG: 1289400 9.74234 20.9002 -1.91051 20.9001 -28.8276 56.796 -1.91048 56.796 24.164 GPRESSAVG: 1289400 9.32516 21.8741 -2.10509 18.6033 -29.4946 57.2038 -3.28478 56.6149 24.8468 TIMING: 1289400 CPU: 4024.75, 0.00313907/step Wall: 4024.75, 0.00313907/step, 3.23551 hours remaining, 233.324219 MB of memory in use. ENERGY: 1289400 3994.9868 20448.2628 14383.0203 242.0698 -202969.7421 2470.5561 0.0000 0.0000 52322.9422 -109107.9041 300.7007 -161430.8463 -108743.5856 299.7308 -97.0652 -73.4387 762008.4563 1.6929 1.5591 PRESSURE: 1289600 -496.525 36.0199 186.337 36.0197 44.4307 -160.326 186.337 -160.327 -534.188 GPRESSURE: 1289600 -398.917 70.8091 277.759 20.8163 46.7027 -229.746 54.5694 -47.952 -547.168 PRESSAVG: 1289600 -87.4529 49.5222 11.3743 49.5222 70.7117 16.3872 11.3743 16.3873 -7.13067 GPRESSAVG: 1289600 -87.6603 47.0876 12.8854 51.6066 71.727 15.6415 10.3499 16.793 -7.43847 TIMING: 1289600 CPU: 4025.38, 0.0031371/step Wall: 4025.38, 0.0031371/step, 3.2333 hours remaining, 233.324219 MB of memory in use. ENERGY: 1289600 3938.3916 20475.6037 14419.5710 240.7271 -202532.4336 2255.2043 0.0000 0.0000 52205.9452 -108996.9908 300.0283 -161202.9360 -108622.6911 299.2509 -328.7607 -299.7940 763130.3565 -7.9573 -7.7906 PRESSURE: 1289800 14.3831 -140.712 149.879 -140.713 112.703 -248.625 149.88 -248.625 463.496 GPRESSURE: 1289800 -29.6802 -58.9957 70.5599 -200.545 186.331 -300.448 210.173 -292.188 525.791 PRESSAVG: 1289800 -34.1297 -36.171 7.48485 -36.1711 33.7106 -55.5704 7.48487 -55.5704 -12.5688 GPRESSAVG: 1289800 -32.6218 -34.3872 8.06788 -37.987 32.7885 -56.8665 7.33415 -53.2663 -12.9451 TIMING: 1289800 CPU: 4026.01, 0.00313852/step Wall: 4026.01, 0.00313852/step, 3.23459 hours remaining, 233.324219 MB of memory in use. ENERGY: 1289800 3967.1966 20507.7377 14392.8454 269.2021 -203517.5173 3018.4264 0.0000 0.0000 52152.8980 -109209.2111 299.7234 -161362.1092 -108856.7532 299.1431 196.8606 227.4808 762419.4933 -4.3293 -4.2595 PRESSURE: 1290000 81.4575 30.4821 -34.8686 30.4821 124.643 -15.0622 -34.8675 -15.0611 371.585 GPRESSURE: 1290000 153.522 66.2158 32.9705 -35.1051 106.199 -1.2558 -37.7181 -5.60764 406.085 PRESSAVG: 1290000 -45.9046 -13.1128 46.693 -13.1129 48.0027 2.613 46.693 2.61296 5.59807 GPRESSAVG: 1290000 -47.4347 -13.6213 45.144 -12.8051 48.5875 2.53757 48.3647 1.23933 6.18087 TIMING: 1290000 CPU: 4026.64, 0.0031406/step Wall: 4026.64, 0.0031406/step, 3.23656 hours remaining, 233.324219 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: 1290000 3997.7972 20437.5140 14460.9016 248.0360 -203221.7302 2934.1780 0.0000 0.0000 51815.8863 -109327.4172 297.7866 -161143.3035 -108970.4363 298.7571 192.5617 221.9354 762332.3291 2.5654 2.4446 PRESSURE: 1290200 -254.877 -290.114 6.29574 -290.113 -84.6295 -101.282 6.29544 -101.282 174.377 GPRESSURE: 1290200 -205.544 -169.334 -33.3543 -184.535 -72.1266 -150.305 73.6208 28.3735 209.117 PRESSAVG: 1290200 -30.9653 -63.0135 4.0693 -63.0136 39.7862 8.63773 4.06928 8.63779 4.70121 GPRESSAVG: 1290200 -29.3146 -64.628 3.81544 -58.6064 39.5168 8.39029 4.82337 7.9669 3.38348 TIMING: 1290200 CPU: 4027.27, 0.00315237/step Wall: 4027.27, 0.00315237/step, 3.24852 hours remaining, 233.324219 MB of memory in use. ENERGY: 1290200 3995.6849 20422.8066 14382.8851 258.5565 -203023.5781 2626.7340 0.0000 0.0000 52005.9581 -109330.9530 298.8790 -161336.9112 -108967.4643 298.7995 -55.0432 -22.8513 762601.9519 4.5074 4.5286 PRESSURE: 1290400 -120.313 -41.6393 17.6305 -41.6397 -77.8224 -158.381 17.6311 -158.383 -158.2 GPRESSURE: 1290400 -196.242 72.0798 22.4514 -166.154 -0.45602 -151.74 -0.904665 -69.8972 -88.7866 PRESSAVG: 1290400 -16.8917 -3.47306 -1.15926 -3.47307 41.0542 17.8288 -1.15924 17.8288 10.5456 GPRESSAVG: 1290400 -17.7778 -1.08081 -0.419062 -6.40452 41.076 19.244 -0.595708 18.978 11.3604 TIMING: 1290400 CPU: 4027.9, 0.00315113/step Wall: 4027.9, 0.00315113/step, 3.24707 hours remaining, 233.324219 MB of memory in use. ENERGY: 1290400 3985.8722 20369.1294 14397.8135 244.8624 -203213.2181 2669.6038 0.0000 0.0000 52122.3994 -109423.5373 299.5481 -161545.9367 -109067.4833 298.7480 -118.7785 -95.1616 762137.6638 11.5694 11.5529 PRESSURE: 1290600 -300.255 171.011 112.33 171.012 -360.667 96.7292 112.33 96.7288 469.045 GPRESSURE: 1290600 -320.605 61.6319 24.1092 129.694 -238.222 30.8947 109.48 27.4053 469.045 PRESSAVG: 1290600 -9.51566 21.9177 -31.7596 21.9177 -3.17848 -5.0385 -31.7596 -5.03844 8.70776 GPRESSAVG: 1290600 -11.1161 21.7408 -30.8642 19.7284 -1.90733 -5.51728 -31.9748 -5.37744 9.82095 TIMING: 1290600 CPU: 4028.52, 0.00312976/step Wall: 4028.52, 0.00312976/step, 3.22487 hours remaining, 233.324219 MB of memory in use. ENERGY: 1290600 4021.3079 20464.9061 14376.7155 265.0625 -203279.1356 2694.0111 0.0000 0.0000 51799.2637 -109657.8688 297.6911 -161457.1325 -109284.8982 298.6504 -63.9588 -29.9276 760855.6988 -1.3288 -1.0675 PRESSURE: 1290800 66.2394 -69.9127 -119.033 -69.9134 -155.178 22.7055 -119.033 22.7048 -577.613 GPRESSURE: 1290800 122.425 -40.8111 -108.196 -66.4561 -258.109 47.6857 -73.2306 -38.2551 -448.592 PRESSAVG: 1290800 -24.9589 3.30982 -17.1089 3.30977 -32.9992 -27.776 -17.1089 -27.776 16.5541 GPRESSAVG: 1290800 -22.4893 5.47619 -17.9434 5.39505 -34.9057 -28.9851 -19.5409 -27.4286 16.6533 TIMING: 1290800 CPU: 4029.15, 0.00312541/step Wall: 4029.15, 0.00312541/step, 3.22022 hours remaining, 233.324219 MB of memory in use. ENERGY: 1290800 4069.3850 20587.1296 14422.6412 233.7626 -203638.1449 2907.2267 0.0000 0.0000 52059.5135 -109358.4863 299.1867 -161417.9998 -108994.2504 298.2318 -222.1839 -194.7585 761151.2881 -13.8013 -13.5806 PRESSURE: 1291000 77.3572 -7.60151 -146.889 -7.60034 -7.65753 -272.63 -146.89 -272.631 -143.009 GPRESSURE: 1291000 87.0607 -8.48032 -179.055 -164.088 30.6252 -225.929 -100.551 -47.7868 -99.6376 PRESSAVG: 1291000 12.8032 -58.6756 -17.4191 -58.6756 -31.3038 -39.8462 -17.4191 -39.8462 -1.42286 GPRESSAVG: 1291000 11.1873 -58.9742 -18.3809 -57.4159 -30.7764 -38.3113 -16.2889 -40.3457 -0.717604 TIMING: 1291000 CPU: 4029.77, 0.0031309/step Wall: 4029.77, 0.0031309/step, 3.2257 hours remaining, 233.324219 MB of memory in use. ENERGY: 1291000 4022.6050 20621.7062 14368.1235 256.3703 -203657.0907 2816.4793 0.0000 0.0000 52047.4715 -109524.3348 299.1175 -161571.8063 -109159.6442 299.0329 -24.4366 6.0161 759697.3661 -6.6411 -6.7689 PRESSURE: 1291200 -164.889 -225.634 109.356 -225.634 5.7886 -63.9592 109.356 -63.9588 -239.225 GPRESSURE: 1291200 -92.4675 -305.996 65.3962 -75.8015 -49.9693 -72.1167 89.9429 -43.3465 -196.891 PRESSAVG: 1291200 -11.4643 -19.0461 10.8183 -19.046 9.29158 -55.7797 10.8183 -55.7797 4.95176 GPRESSAVG: 1291200 -12.3744 -20.2271 11.4298 -19.6025 10.43 -56.8953 10.9642 -53.1929 4.18781 TIMING: 1291200 CPU: 4030.4, 0.00314513/step Wall: 4030.4, 0.00314513/step, 3.24018 hours remaining, 233.324219 MB of memory in use. ENERGY: 1291200 4006.2434 20566.3345 14454.9116 258.3248 -203526.2099 2707.6602 0.0000 0.0000 51911.3948 -109621.3406 298.3355 -161532.7354 -109258.8910 299.2358 -132.7749 -113.1093 760563.8743 0.9263 0.7478 PRESSURE: 1291400 224.133 -183.629 210.726 -183.628 411.73 72.8367 210.725 72.8364 879.06 GPRESSURE: 1291400 362.857 -60.7164 177.328 -165.33 466.538 11.3898 183.725 33.2265 759.372 PRESSAVG: 1291400 27.0841 -41.5684 -34.543 -41.5684 7.32557 -25.0399 -34.543 -25.0399 -6.20618 GPRESSAVG: 1291400 29.2644 -40.7563 -34.469 -40.4462 6.39447 -25.1601 -33.692 -28.3549 -7.809 TIMING: 1291400 CPU: 4031.03, 0.00313957/step Wall: 4031.03, 0.00313957/step, 3.23428 hours remaining, 233.324219 MB of memory in use. ENERGY: 1291400 4071.0625 20448.4674 14471.0141 242.7882 -203674.0938 3016.2766 0.0000 0.0000 51973.1497 -109451.3354 298.6904 -161424.4851 -109088.2580 298.9153 504.9742 529.5891 760465.5649 9.4012 9.2833 PRESSURE: 1291600 -191.921 73.3146 -29.9127 73.3152 -171.297 -30.6323 -29.9127 -30.6325 45.1769 GPRESSURE: 1291600 -210.116 11.2437 -83.8762 -51.768 -114.172 -137.803 37.5315 228.012 76.9896 PRESSAVG: 1291600 -18.349 -21.9316 -34.1431 -21.9315 -3.16961 2.52294 -34.1431 2.523 12.7578 GPRESSAVG: 1291600 -19.5952 -22.8786 -33.0773 -23.493 -3.39945 2.90109 -36.5565 3.34022 13.9827 TIMING: 1291600 CPU: 4031.66, 0.00312441/step Wall: 4031.66, 0.00312441/step, 3.21849 hours remaining, 233.324219 MB of memory in use. ENERGY: 1291600 4052.2585 20607.0935 14510.9686 234.0443 -203870.1910 2844.6212 0.0000 0.0000 52023.1431 -109598.0618 298.9777 -161621.2049 -109237.6724 299.0150 -106.0138 -82.4326 760190.0285 -2.9203 -3.0040 PRESSURE: 1291800 -200.935 21.6987 -138.985 21.6995 -138.232 -128.516 -138.984 -128.517 -24.7161 GPRESSURE: 1291800 -178.13 2.44382 -210.358 87.6792 -76.9416 -100.398 -36.358 -76.5781 -26.8453 PRESSAVG: 1291800 16.2829 11.178 -33.6964 11.178 -12.2333 -20.1591 -33.6965 -20.1591 2.58434 GPRESSAVG: 1291800 16.2165 9.5285 -35.3174 12.0198 -11.679 -19.4234 -32.2676 -20.3636 2.22204 TIMING: 1291800 CPU: 4032.29, 0.00314195/step Wall: 4032.29, 0.00314195/step, 3.23639 hours remaining, 233.324219 MB of memory in use. ENERGY: 1291800 4015.0882 20519.1584 14392.3592 227.5288 -203569.4691 2609.9687 0.0000 0.0000 51991.4370 -109813.9288 298.7955 -161805.3658 -109451.1282 298.7349 -121.2945 -93.9724 761872.2409 2.2113 2.2532 PRESSURE: 1292000 20.6601 -30.5322 126.364 -30.5323 -98.68 61.721 126.364 61.7211 82.2044 GPRESSURE: 1292000 17.437 -47.9159 37.5292 2.15444 -34.4299 70.6624 70.3574 119.323 94.3641 PRESSAVG: 1292000 -41.0357 -35.9967 -10.7832 -35.9967 32.1556 13.0804 -10.7832 13.0804 5.74086 GPRESSAVG: 1292000 -40.9689 -34.3289 -9.85244 -34.7354 32.6039 12.3872 -10.7737 13.8017 5.14075 TIMING: 1292000 CPU: 4032.91, 0.00314425/step Wall: 4032.91, 0.00314425/step, 3.23857 hours remaining, 233.324219 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: 1292000 4017.2868 20484.2331 14431.2524 239.3618 -203712.4052 2750.1525 0.0000 0.0000 51884.0215 -109906.0971 298.1782 -161790.1186 -109544.7555 298.0580 1.3948 25.7904 760321.3632 -1.0464 -1.0748 PRESSURE: 1292200 -141.735 22.6731 45.2327 22.6733 284.959 78.3259 45.2324 78.3256 -8.09261 GPRESSURE: 1292200 -9.94609 28.5179 180.154 -38.8303 264.537 15.3502 -65.9586 70.1085 -31.0573 PRESSAVG: 1292200 24.3398 -39.8755 -43.9503 -39.8754 -9.92574 -29.1997 -43.9504 -29.1997 8.215 GPRESSAVG: 1292200 24.5465 -38.9556 -42.6596 -40.5291 -9.36728 -28.881 -43.4777 -28.8273 7.58976 TIMING: 1292200 CPU: 4033.54, 0.00313996/step Wall: 4033.54, 0.00313996/step, 3.23399 hours remaining, 233.324219 MB of memory in use. ENERGY: 1292200 3989.7477 20509.1344 14455.4424 242.8544 -204200.9113 3095.7921 0.0000 0.0000 52090.1989 -109817.7414 299.3631 -161907.9403 -109453.4924 297.8695 45.0436 74.5112 760512.2708 7.5430 7.5896 LDB: ============= START OF LOAD BALANCING ============== 4046.02 LDB: ============== END OF LOAD BALANCING =============== 4046.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4046.03 LDB: ============= START OF LOAD BALANCING ============== 4046.34 LDB: Largest compute 6984 load 0.029179 is 15.0% of average load 0.195100 LDB: Average compute 0.004382 is 2.2% of average load 0.195100 LDB: TIME 4046.35 LOAD: AVG 0.1951 MAX 0.212139 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.836 MB LDB: TIME 4046.35 LOAD: AVG 0.1951 MAX 0.212139 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.836 MB LDB: TIME 4046.35 LOAD: AVG 0.1951 MAX 0.212139 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.836 MB LDB: ============== END OF LOAD BALANCING =============== 4046.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4046.35 PRESSURE: 1292400 165.498 -5.35956 -145.184 -5.35928 259.49 61.1874 -145.184 61.1873 -8.43574 GPRESSURE: 1292400 232.564 -52.3057 -167.703 49.2589 224.331 44.4829 -108.221 55.6685 52.9962 PRESSAVG: 1292400 -8.97331 -16.4203 11.9017 -16.4203 27.9941 23.478 11.9017 23.478 -27.4448 GPRESSAVG: 1292400 -9.81832 -16.7724 11.5387 -17.8807 26.527 21.7119 11.9147 27.4032 -25.0755 TIMING: 1292400 CPU: 4034.19, 0.003228/step Wall: 4034.19, 0.003228/step, 3.32448 hours remaining, 233.894531 MB of memory in use. ENERGY: 1292400 4020.2459 20576.9739 14425.9075 237.3458 -204352.4314 3133.9379 0.0000 0.0000 52348.2480 -109609.7723 300.8461 -161958.0203 -109238.7818 298.7576 138.8509 169.9636 759734.1551 -2.8080 -2.7889 PRESSURE: 1292600 -194.327 7.30623 28.4215 7.30583 310.333 105.951 28.4219 105.952 -98.6814 GPRESSURE: 1292600 -213.31 40.8458 84.5453 -139 352.433 94.5204 40.8385 12.7342 -15.8918 PRESSAVG: 1292600 -19.434 -20.9316 -5.39416 -20.9316 43.0072 -6.42007 -5.39421 -6.42009 20.6447 GPRESSAVG: 1292600 -18.6388 -21.5778 -6.44506 -18.6785 43.3711 -5.16449 -5.38789 -11.9649 19.3706 TIMING: 1292600 CPU: 4034.82, 0.00315652/step Wall: 4034.82, 0.00315652/step, 3.25069 hours remaining, 234.097656 MB of memory in use. ENERGY: 1292600 4000.1137 20514.8357 14449.3017 257.4077 -203537.5934 2670.3420 0.0000 0.0000 52124.0882 -109521.5044 299.5579 -161645.5926 -109149.2516 299.1406 5.7748 41.0770 759688.2217 14.7393 14.7010 PRESSURE: 1292800 -293.513 -36.6084 74.7349 -36.6083 -402.02 -204.093 74.7344 -204.093 106.211 GPRESSURE: 1292800 -283.598 -41.6726 41.8967 -42.6823 -319.787 -189.934 17.6665 -101.466 83.9984 PRESSAVG: 1292800 -48.125 19.2519 -63.5517 19.2519 41.5527 3.55565 -63.5517 3.55558 -14.4912 GPRESSAVG: 1292800 -47.9975 18.4431 -63.0451 17.2095 41.9125 4.06182 -63.5776 4.16953 -14.8528 TIMING: 1292800 CPU: 4035.45, 0.00316288/step Wall: 4035.45, 0.00316288/step, 3.25706 hours remaining, 234.097656 MB of memory in use. ENERGY: 1292800 3966.5076 20508.2093 14476.7501 247.3831 -203499.2454 2641.8736 0.0000 0.0000 52442.0825 -109216.4391 301.3854 -161658.5216 -108841.4667 300.0429 -196.4406 -173.1290 761215.4981 -7.0212 -6.9793 PRESSURE: 1293000 -50.1612 67.2848 153.271 67.2847 -2.26332 240.908 153.271 240.909 -329.694 GPRESSURE: 1293000 -70.0016 76.8275 110.004 98.9491 -11.6572 217.827 145.326 139.373 -226.444 PRESSAVG: 1293000 -3.02505 -30.405 19.0173 -30.4049 -43.0755 -21.3076 19.0173 -21.3076 -8.63601 GPRESSAVG: 1293000 -2.84448 -28.2326 19.8256 -28.777 -44.1554 -20.5177 19.0441 -20.4517 -7.84146 TIMING: 1293000 CPU: 4036.08, 0.0031629/step Wall: 4036.08, 0.0031629/step, 3.25691 hours remaining, 234.097656 MB of memory in use. ENERGY: 1293000 4008.2177 20567.3556 14512.9638 259.5608 -203220.0732 2629.8662 0.0000 0.0000 52031.1568 -109210.9524 299.0238 -161242.1092 -108854.1371 299.6536 -127.3729 -102.7008 763084.0799 -18.2455 -18.2804 PRESSURE: 1293200 -103.638 189.626 -116.949 189.626 121.978 -18.4417 -116.948 -18.4421 -16.0507 GPRESSURE: 1293200 -52.6087 54.1097 -25.3054 196.756 151.856 2.54686 -34.6901 9.62657 -24.0028 PRESSAVG: 1293200 8.35611 -8.79435 11.3459 -8.79438 -30.3372 32.7863 11.346 32.7863 9.93558 GPRESSAVG: 1293200 7.94894 -8.86989 11.2804 -9.26838 -29.6147 33.1739 11.392 32.6792 9.73271 TIMING: 1293200 CPU: 4036.71, 0.00314446/step Wall: 4036.71, 0.00314446/step, 3.23774 hours remaining, 234.097656 MB of memory in use. ENERGY: 1293200 4018.5771 20699.5529 14468.1677 248.5697 -203437.1646 2839.8905 0.0000 0.0000 52031.3066 -109131.1001 299.0246 -161162.4067 -108776.1497 299.6196 0.7632 25.0816 762794.7383 -4.0152 -3.9777 PRESSURE: 1293400 191.122 -59.5392 57.4009 -59.5396 -138.408 85.1082 57.4013 85.1097 -117.499 GPRESSURE: 1293400 203.054 31.2098 -23.6645 -83.094 -117.551 58.2709 31.5218 79.8532 -68.1189 PRESSAVG: 1293400 0.683875 2.73803 -27.157 2.73799 -21.2733 19.2893 -27.157 19.2893 -27.6632 GPRESSAVG: 1293400 1.45079 5.5682 -26.2713 0.0578772 -22.0106 17.9635 -28.6474 21.0294 -27.1464 TIMING: 1293400 CPU: 4037.34, 0.0031327/step Wall: 4037.34, 0.0031327/step, 3.22546 hours remaining, 234.097656 MB of memory in use. ENERGY: 1293400 3960.1767 20688.3721 14434.5532 269.0421 -203386.1670 2641.5214 0.0000 0.0000 52255.8901 -109136.6115 300.3153 -161392.5015 -108774.7439 299.5624 -21.5953 5.7947 762455.2723 -16.0842 -15.9021 PRESSURE: 1293600 -137.525 106.688 18.3448 106.689 298.815 53.8085 18.3452 53.8069 -289.885 GPRESSURE: 1293600 -91.7374 -28.7935 8.26548 225.314 314.02 57.6925 94.6487 186.181 -255.012 PRESSAVG: 1293600 -35.1029 -6.5062 -9.5136 -6.50623 57.9994 -17.0716 -9.51354 -17.0716 -20.9996 GPRESSAVG: 1293600 -34.9228 -10.2787 -10.3039 -2.32975 59.4407 -15.1397 -7.47915 -20.282 -22.1673 TIMING: 1293600 CPU: 4037.97, 0.00314018/step Wall: 4037.97, 0.00314018/step, 3.23299 hours remaining, 234.097656 MB of memory in use. ENERGY: 1293600 4068.7085 20575.6879 14430.5998 266.5842 -203359.8593 2833.5428 0.0000 0.0000 51898.0237 -109286.7123 298.2587 -161184.7360 -108925.5802 299.6144 -42.8652 -10.9098 763009.1280 0.6323 0.7835 PRESSURE: 1293800 -214.969 -51.4981 14.2716 -51.4995 -232.804 161.766 14.2718 161.767 167.194 GPRESSURE: 1293800 -28.2619 -86.1938 33.3288 -54.8977 -271.46 99.97 -24.4774 154.662 86.2715 PRESSAVG: 1293800 -20.357 -31.6594 -16.1844 -31.6594 25.3713 7.83191 -16.1844 7.83189 17.1847 GPRESSAVG: 1293800 -20.0611 -29.4614 -15.8969 -33.9778 24.7446 6.59564 -17.0627 9.18941 17.2929 TIMING: 1293800 CPU: 4038.6, 0.00314674/step Wall: 4038.6, 0.00314674/step, 3.23957 hours remaining, 234.097656 MB of memory in use. ENERGY: 1293800 4002.5387 20466.0373 14476.5761 258.1526 -202970.4911 2659.2062 0.0000 0.0000 51965.7114 -109142.2688 298.6477 -161107.9802 -108799.0534 299.2328 -93.5265 -71.1501 763799.2601 7.3996 7.3254 PRESSURE: 1294000 215.125 304.899 262.645 304.899 299.955 -32.7303 262.645 -32.731 65.9232 GPRESSURE: 1294000 213.623 276.484 229.955 281.271 320.568 64.4033 218.444 55.2597 112.697 PRESSAVG: 1294000 -17.0294 13.3991 -23.4264 13.399 -5.03698 4.37315 -23.4264 4.3732 4.2107 GPRESSAVG: 1294000 -18.2071 11.5956 -25.136 12.7105 -3.62523 4.85757 -22.5149 3.3904 4.21654 TIMING: 1294000 CPU: 4039.23, 0.00314332/step Wall: 4039.23, 0.00314332/step, 3.23588 hours remaining, 234.097656 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: 1294000 4018.3622 20602.7936 14439.9624 240.7668 -203879.3319 3291.6798 0.0000 0.0000 52106.0164 -109179.7507 299.4540 -161285.7671 -108822.1160 299.5533 193.6676 215.6294 762029.2824 -5.9519 -5.8719 PRESSURE: 1294200 -22.997 46.3916 -29.517 46.391 260.859 -143.244 -29.5178 -143.245 481.906 GPRESSURE: 1294200 98.3127 6.09937 -10.4905 100.286 278.945 -105.87 -48.2343 -176.805 410.579 PRESSAVG: 1294200 -23.9874 -10.0891 16.9228 -10.0892 50.3005 25.0257 16.9229 25.0257 -0.0574539 GPRESSAVG: 1294200 -22.4172 -10.4265 17.7006 -6.06717 48.9879 25.353 15.5247 25.5605 -0.300488 TIMING: 1294200 CPU: 4039.85, 0.00314029/step Wall: 4039.85, 0.00314029/step, 3.23258 hours remaining, 234.097656 MB of memory in use. ENERGY: 1294200 3985.8199 20364.5543 14458.7704 247.3378 -203733.6493 3100.2435 0.0000 0.0000 51975.7156 -109601.2078 298.7052 -161576.9235 -109237.7667 299.4582 239.9227 262.6124 762937.9738 8.7519 8.7567 PRESSURE: 1294400 203.589 47.7083 -19.7633 47.7081 94.5506 -151.227 -19.7637 -151.228 63.9811 GPRESSURE: 1294400 208.476 116.753 -87.9745 106.955 138.663 -160.309 88.1513 -219.941 89.4961 PRESSAVG: 1294400 -27.0281 36.0282 21.1616 36.0282 18.2203 2.10982 21.1615 2.10984 8.27468 GPRESSAVG: 1294400 -28.5987 36.9245 22.8698 34.0648 19.3167 0.378151 22.7954 2.36636 9.29044 TIMING: 1294400 CPU: 4040.48, 0.00313287/step Wall: 4040.48, 0.00313287/step, 3.22477 hours remaining, 234.097656 MB of memory in use. ENERGY: 1294400 3953.3544 20702.2892 14460.0880 251.7997 -203901.4239 3043.3355 0.0000 0.0000 52013.9336 -109476.6235 298.9248 -161490.5571 -109110.9956 298.9359 120.7070 145.5449 762034.4534 -0.1777 0.0028 PRESSURE: 1294600 -579.713 7.51069 -179.066 7.51184 -475.088 86.2433 -179.066 86.2439 -354.622 GPRESSURE: 1294600 -453.324 52.7779 -212.86 -71.6614 -520.538 101.937 -203.074 74.074 -353.548 PRESSAVG: 1294600 36.0871 43.7896 -10.509 43.7896 -35.1555 7.8151 -10.5089 7.81506 -18.5334 GPRESSAVG: 1294600 37.4551 45.5559 -11.069 41.0196 -36.4496 8.85987 -9.91222 7.20357 -18.265 TIMING: 1294600 CPU: 4041.11, 0.00314066/step Wall: 4041.11, 0.00314066/step, 3.23261 hours remaining, 234.097656 MB of memory in use. ENERGY: 1294600 4069.4262 20601.1187 14438.3635 248.4118 -203233.5407 2511.0190 0.0000 0.0000 51862.4937 -109502.7079 298.0545 -161365.2016 -109142.1030 298.9734 -469.8078 -442.4702 762657.9099 -5.8672 -5.7532 PRESSURE: 1294800 -249.024 -17.152 143.705 -17.1516 -131.622 94.4573 143.704 94.4568 -340.067 GPRESSURE: 1294800 -187.855 34.6291 141.041 48.0606 -28.0837 -10.3359 121.953 159.977 -413.498 PRESSAVG: 1294800 -8.81124 37.5213 -2.35936 37.5214 41.3613 7.01265 -2.35934 7.0127 22.096 GPRESSAVG: 1294800 -8.24864 34.9135 -2.69007 40.8097 41.0398 6.3887 -5.32257 7.69231 22.208 TIMING: 1294800 CPU: 4041.73, 0.00310968/step Wall: 4041.73, 0.00310968/step, 3.20055 hours remaining, 234.097656 MB of memory in use. ENERGY: 1294800 3992.7451 20620.7270 14392.9898 259.7241 -203077.2030 2563.6863 0.0000 0.0000 51896.8103 -109350.5204 298.2517 -161247.3307 -108979.8628 299.4236 -240.2378 -209.8122 762602.4715 18.2154 18.3331 PRESSURE: 1295000 -122.582 90.914 43.2218 90.9147 25.564 -31.1029 43.2225 -31.1017 -398.554 GPRESSURE: 1295000 -178.793 103.751 56.4424 157.333 147.251 -17.7831 56.2949 -3.77734 -397.14 PRESSAVG: 1295000 5.58684 -48.5772 10.6888 -48.5772 -2.13233 15.815 10.6888 15.8151 -9.66725 GPRESSAVG: 1295000 5.53666 -46.6286 10.54 -51.8963 -0.856491 17.2012 12.8014 14.894 -11.4533 TIMING: 1295000 CPU: 4042.36, 0.00313187/step Wall: 4042.36, 0.00313187/step, 3.22321 hours remaining, 234.097656 MB of memory in use. ENERGY: 1295000 3979.6947 20566.2288 14435.8442 250.0611 -203374.9448 2679.2273 0.0000 0.0000 52198.0598 -109265.8290 299.9830 -161463.8887 -108914.2384 299.4478 -165.1907 -142.8942 762887.2877 -2.0709 -2.2577 PRESSURE: 1295200 -121.47 56.441 10.3652 56.4418 -128.795 -51.021 10.3654 -51.0213 109.039 GPRESSURE: 1295200 -82.9792 88.0137 64.0707 12.3702 -1.1389 -18.2949 80.7559 -9.53457 37.2153 PRESSAVG: 1295200 -19.3772 -12.142 37.3907 -12.1419 -13.2455 -2.59476 37.3908 -2.59477 -12.8494 GPRESSAVG: 1295200 -20.4408 -15.6686 38.1876 -8.67591 -13.5139 -3.34249 37.7671 -2.21287 -11.2863 TIMING: 1295200 CPU: 4042.98, 0.00312614/step Wall: 4042.98, 0.00312614/step, 3.21715 hours remaining, 234.097656 MB of memory in use. ENERGY: 1295200 4019.6252 20588.2059 14352.3318 244.4571 -203218.5514 2621.5849 0.0000 0.0000 52021.6737 -109370.6728 298.9693 -161392.3465 -109022.8114 299.3446 -47.0755 -15.6342 763714.0376 -15.1574 -15.0803 PRESSURE: 1295400 175.948 -69.4109 104.714 -69.4107 -101.059 -35.5486 104.715 -35.5488 132.354 GPRESSURE: 1295400 231.014 -85.1089 95.7926 -44.5736 -50.9727 -80.62 125.003 32.2645 104.952 PRESSAVG: 1295400 -26.0602 37.3992 39.645 37.3992 68.517 51.1167 39.645 51.1166 -13.2472 GPRESSAVG: 1295400 -26.4747 39.3184 38.0867 36.062 69.214 52.7054 40.8663 51.4224 -13.6441 TIMING: 1295400 CPU: 4043.61, 0.00311731/step Wall: 4043.61, 0.00311731/step, 3.20788 hours remaining, 234.097656 MB of memory in use. ENERGY: 1295400 4001.8106 20563.4257 14531.5130 243.3030 -203109.9872 2660.8550 0.0000 0.0000 51804.8501 -109304.2298 297.7232 -161109.0798 -108951.8645 298.9597 69.0811 94.9977 762799.8491 9.7365 9.6984 PRESSURE: 1295600 -134.422 -32.729 19.2285 -32.7299 216.392 -183.003 19.2288 -183.002 -136.219 GPRESSURE: 1295600 -23.8342 -48.5795 21.4268 -62.8126 184.776 -210.795 -28.0585 -86.3783 -128.329 PRESSAVG: 1295600 -56.9191 33.7942 -17.8823 33.7942 6.59774 -15.6979 -17.8824 -15.6978 -13.7051 GPRESSAVG: 1295600 -56.7514 33.5713 -16.9112 34.4019 5.79333 -17.9468 -21.6731 -15.0666 -12.6083 TIMING: 1295600 CPU: 4044.23, 0.00311353/step Wall: 4044.23, 0.00311353/step, 3.20382 hours remaining, 234.097656 MB of memory in use. ENERGY: 1295600 3925.1639 20346.6681 14397.1246 247.8845 -202707.6173 2520.7163 0.0000 0.0000 51871.5265 -109398.5334 298.1064 -161270.0599 -109031.6763 298.9097 -18.0829 10.8710 764998.5899 -21.3422 -21.1888 PRESSURE: 1295800 -120.862 -275.835 -178.954 -275.836 520.043 69.3402 -178.955 69.34 -354.096 GPRESSURE: 1295800 -79.4691 -280.614 -228.229 -333.688 576.219 42.3726 -138.711 50.1998 -355.888 PRESSAVG: 1295800 -30.1318 -23.9995 -6.78042 -23.9995 30.3824 29.0636 -6.78039 29.0636 -5.26786 GPRESSAVG: 1295800 -29.2643 -22.8487 -6.97495 -24.3445 31.1096 30.2522 -3.96251 28.8659 -7.02443 TIMING: 1295800 CPU: 4044.85, 0.00311396/step Wall: 4044.85, 0.00311396/step, 3.20409 hours remaining, 234.097656 MB of memory in use. ENERGY: 1295800 3928.2415 20318.8305 14471.9646 257.8740 -202964.4364 2690.0613 0.0000 0.0000 52018.4920 -109278.9724 298.9510 -161297.4644 -108919.5205 299.2190 15.0283 46.9541 764618.1893 -1.6724 -1.7264 PRESSURE: 1296000 -279.759 -183.969 171.512 -183.968 1.45587 85.6717 171.512 85.6716 60.919 GPRESSURE: 1296000 -317.579 -122.207 142.53 -235.077 85.4979 66.3212 72.5588 97.6017 111.638 PRESSAVG: 1296000 12.2076 -35.4068 7.30183 -35.4068 -15.7082 -7.31916 7.30185 -7.3191 -17.7377 GPRESSAVG: 1296000 11.6736 -34.5576 7.63582 -35.9483 -16.4514 -6.44906 6.47442 -8.38486 -16.6168 TIMING: 1296000 CPU: 4045.47, 0.0031106/step Wall: 4045.47, 0.0031106/step, 3.20046 hours remaining, 234.097656 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: 1296000 3964.3281 20445.3107 14400.3860 238.6301 -202935.3241 2746.2647 0.0000 0.0000 51731.2386 -109409.1661 297.3001 -161140.4047 -109057.4008 298.8326 -72.4612 -40.1479 762817.8140 -7.0794 -7.1315 PRESSURE: 1296200 -208.636 120.108 -9.26065 120.108 -11.0386 27.3832 -9.26061 27.3842 315.26 GPRESSURE: 1296200 -98.7114 99.8117 -57.0828 15.8715 12.5154 51.6327 -16.343 -32.8894 259.934 PRESSAVG: 1296200 -3.04272 -54.5844 29.3213 -54.5843 18.4542 19.3231 29.3213 19.3232 4.01339 GPRESSAVG: 1296200 -3.65316 -55.9457 30.2912 -54.0992 17.8559 16.9295 29.5748 21.1141 5.22096 TIMING: 1296200 CPU: 4046.1, 0.00311724/step Wall: 4046.1, 0.00311724/step, 3.20712 hours remaining, 234.097656 MB of memory in use. ENERGY: 1296200 3966.5957 20373.2781 14428.4246 237.1449 -203395.5556 2900.9901 0.0000 0.0000 51878.1971 -109610.9249 298.1447 -161489.1221 -109247.4543 298.3388 31.8620 57.9127 762113.3429 6.4750 6.4746 LDB: ============= START OF LOAD BALANCING ============== 4058.57 LDB: ============== END OF LOAD BALANCING =============== 4058.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4058.58 LDB: ============= START OF LOAD BALANCING ============== 4058.89 LDB: Largest compute 6984 load 0.030573 is 15.7% of average load 0.194963 LDB: Average compute 0.004380 is 2.2% of average load 0.194963 LDB: TIME 4058.89 LOAD: AVG 0.194963 MAX 0.215024 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.203 MB LDB: TIME 4058.89 LOAD: AVG 0.194963 MAX 0.215024 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.27 MB LDB: TIME 4058.89 LOAD: AVG 0.194963 MAX 0.215024 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.27 MB LDB: ============== END OF LOAD BALANCING =============== 4058.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4058.9 PRESSURE: 1296400 -325.108 30.2074 -118.543 30.2062 44.6252 -35.3119 -118.543 -35.3118 -15.9703 GPRESSURE: 1296400 -240.064 -47.2619 -46.8057 -80.5861 -32.3303 -37.7756 -306.278 -3.54825 59.618 PRESSAVG: 1296400 -6.79917 -14.7914 10.2316 -14.7914 32.7891 -22.1482 10.2316 -22.1482 -4.29061 GPRESSAVG: 1296400 -5.23499 -15.4942 10.5314 -15.4222 32.7738 -21.2754 10.007 -24.5577 -5.75705 TIMING: 1296400 CPU: 4046.73, 0.00319207/step Wall: 4046.73, 0.00319207/step, 3.28393 hours remaining, 234.781250 MB of memory in use. ENERGY: 1296400 3966.8876 20557.3871 14364.9808 238.4555 -203360.4098 2740.9657 0.0000 0.0000 51990.0100 -109501.7230 298.7873 -161491.7331 -109142.8213 298.2397 -98.8176 -70.9253 762058.5875 7.2331 7.2606 PRESSURE: 1296600 -83.9641 110.288 226.301 110.288 64.45 129.424 226.302 129.423 231.561 GPRESSURE: 1296600 -19.1309 18.0687 233.193 200.174 68.5374 42.0361 261.908 167.959 250.854 PRESSAVG: 1296600 -25.4521 27.5379 -14.3996 27.5378 29.4653 18.1833 -14.3996 18.1832 -4.14699 GPRESSAVG: 1296600 -25.5445 26.8105 -16.4413 28.4568 30.1009 17.4391 -14.1652 19.8865 -4.57165 TIMING: 1296600 CPU: 4047.36, 0.00312893/step Wall: 4047.36, 0.00312893/step, 3.2188 hours remaining, 234.781250 MB of memory in use. ENERGY: 1296600 4097.1905 20460.6185 14381.6447 224.4874 -203347.4008 2893.3921 0.0000 0.0000 52121.1702 -109168.8973 299.5411 -161290.0676 -108811.3448 298.7678 70.6824 100.0868 761987.3081 -0.0446 -0.0051 PRESSURE: 1296800 33.5206 -20.4278 58.3557 -20.4274 -184.017 -49.8756 58.3547 -49.875 285.164 GPRESSURE: 1296800 154.28 -93.8862 61.924 -17.4715 -130.581 -5.25165 207.548 78.5296 186.316 PRESSAVG: 1296800 10.2393 -3.92688 -52.6023 -3.9268 -0.152275 3.64875 -52.6023 3.64885 -6.29069 GPRESSAVG: 1296800 8.99995 -2.69595 -50.0127 -5.25903 0.00414439 4.95842 -52.614 1.73662 -5.70845 TIMING: 1296800 CPU: 4047.98, 0.00311667/step Wall: 4047.98, 0.00311667/step, 3.20602 hours remaining, 234.781250 MB of memory in use. ENERGY: 1296800 3971.9657 20332.6149 14359.1446 256.5603 -203283.2909 2985.7661 0.0000 0.0000 51961.5976 -109415.6417 298.6240 -161377.2394 -109040.8109 299.2534 44.8892 70.0051 762321.8890 1.2654 1.0985 PRESSURE: 1297000 -146.447 143.508 -170.885 143.508 -204.807 189.337 -170.885 189.337 -168.323 GPRESSURE: 1297000 -108.056 115.843 -150.931 203.982 -106.175 198.591 -160.628 76.9112 -230.556 PRESSAVG: 1297000 11.1126 22.9668 -26.302 22.9667 -5.35583 4.30212 -26.302 4.30209 2.44929 GPRESSAVG: 1297000 11.6571 23.5965 -28.7256 23.8654 -5.65554 3.94292 -24.9645 5.70324 2.30456 TIMING: 1297000 CPU: 4048.61, 0.00312983/step Wall: 4048.61, 0.00312983/step, 3.21937 hours remaining, 234.781250 MB of memory in use. ENERGY: 1297000 4011.1403 20463.7003 14395.3402 262.7533 -203310.0896 2757.1987 0.0000 0.0000 51996.7443 -109423.2124 298.8260 -161419.9567 -109067.5743 298.8280 -173.1923 -148.2623 762018.7939 2.7353 2.7687 PRESSURE: 1297200 -85.7835 -1.53942 -48.8439 -1.53983 -438.512 50.7319 -48.8439 50.7316 -70.2285 GPRESSURE: 1297200 -118.108 -120.717 -13.5374 26.7763 -413.468 68.3176 -104.609 101.528 21.8277 PRESSAVG: 1297200 29.4076 23.8663 -4.70658 23.8663 -9.37733 -7.25584 -4.70655 -7.25577 -9.58425 GPRESSAVG: 1297200 29.944 22.0695 -3.91396 25.8336 -9.20465 -7.85218 -5.74219 -6.4379 -9.5879 TIMING: 1297200 CPU: 4049.23, 0.00311871/step Wall: 4049.23, 0.00311871/step, 3.20777 hours remaining, 234.781250 MB of memory in use. ENERGY: 1297200 4093.6033 20441.7711 14450.3412 257.9985 -203182.4878 2544.0593 0.0000 0.0000 52014.4500 -109380.2643 298.9278 -161394.7143 -109015.2194 298.8839 -198.1747 -169.9163 761444.5569 3.4820 3.7171 PRESSURE: 1297400 269.63 174.928 -86.1407 174.928 196.442 -127.431 -86.1405 -127.431 -1.49359 GPRESSURE: 1297400 330.223 127.759 -10.2256 231.872 235.927 -74.6961 -31.2778 2.08176 -21.239 PRESSAVG: 1297400 60.5938 -26.4956 -16.2386 -26.4955 -36.1467 -1.06585 -16.2386 -1.06576 -15.9491 GPRESSAVG: 1297400 60.3962 -25.13 -14.7549 -28.9153 -37.0438 0.826803 -16.5042 -1.6989 -15.054 TIMING: 1297400 CPU: 4049.86, 0.00313641/step Wall: 4049.86, 0.00313641/step, 3.2258 hours remaining, 234.781250 MB of memory in use. ENERGY: 1297400 3976.3963 20420.2372 14466.4455 266.8145 -203309.1773 2778.4783 0.0000 0.0000 52054.6467 -109346.1587 299.1588 -161400.8054 -108980.5259 299.2336 154.8593 181.6369 762099.4719 2.8326 2.7661 PRESSURE: 1297600 237.766 -112.796 -196.214 -112.796 123.095 -135.131 -196.214 -135.132 227.281 GPRESSURE: 1297600 287.319 -154.592 -200.256 -71.5997 184.735 -99.6536 -152.041 -112.652 215.985 PRESSAVG: 1297600 -2.41136 15.6269 -25.2086 15.6268 26.6655 18.2328 -25.2086 18.2328 -2.01129 GPRESSAVG: 1297600 -2.25949 13.4641 -26.2535 19.4909 27.358 16.3332 -24.6795 18.466 -2.3716 TIMING: 1297600 CPU: 4050.49, 0.00312795/step Wall: 4050.49, 0.00312795/step, 3.21693 hours remaining, 234.781250 MB of memory in use. ENERGY: 1297600 3947.8659 20511.9309 14456.8957 239.6364 -203872.2781 3163.7044 0.0000 0.0000 52200.7674 -109351.4774 299.9985 -161552.2448 -108995.7019 299.1100 196.0474 229.3462 762776.6428 7.4143 7.5756 PRESSURE: 1297800 -52.4261 -14.01 -38.8259 -14.0101 -155.493 -37.7159 -38.8266 -37.7166 25.123 GPRESSURE: 1297800 -72.7215 25.6886 -75.0644 -4.62293 -103.555 -38.6393 -64.1212 -2.61766 66.9876 PRESSAVG: 1297800 9.45614 -15.4537 -37.6285 -15.4538 -8.51128 -27.583 -37.6285 -27.583 12.4347 GPRESSAVG: 1297800 10.1515 -14.0855 -37.3166 -16.5781 -8.75619 -26.3442 -39.802 -29.3511 11.6839 TIMING: 1297800 CPU: 4051.11, 0.00313494/step Wall: 4051.11, 0.00313494/step, 3.22394 hours remaining, 234.781250 MB of memory in use. ENERGY: 1297800 4022.8923 20518.1505 14439.0604 256.8091 -203429.0364 2905.4171 0.0000 0.0000 51835.6503 -109451.0567 297.9002 -161286.7070 -109087.4708 298.5710 -60.9322 -36.4297 764640.8521 4.4598 4.3597 PRESSURE: 1298000 -162.689 -146.217 46.0757 -146.216 298.083 -96.333 46.0762 -96.3329 221.217 GPRESSURE: 1298000 -2.39202 -190.046 42.8346 -49.959 215.875 -45.7373 69.7786 -163.608 209.952 PRESSAVG: 1298000 37.843 -69.5559 1.28672 -69.556 -50.4833 -22.8855 1.28661 -22.8855 11.8693 GPRESSAVG: 1298000 38.2304 -69.993 0.631381 -69.916 -51.5906 -21.5881 2.69724 -20.6946 12.2109 TIMING: 1298000 CPU: 4051.74, 0.00313412/step Wall: 4051.74, 0.00313412/step, 3.22292 hours remaining, 234.781250 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: 1298000 3925.5811 20586.0185 14425.8234 239.5922 -203597.8934 2996.4273 0.0000 0.0000 51897.6806 -109526.7702 298.2567 -161424.4509 -109169.2429 298.0925 118.8703 141.1451 764010.9827 -0.2570 -0.3831 PRESSURE: 1298200 -236.692 -260.738 98.7369 -260.737 -72.3945 115.869 98.737 115.869 -25.0936 GPRESSURE: 1298200 -221.046 -317.637 210.813 -194.489 -35.1236 44.5687 119.406 77.7842 -4.3898 PRESSAVG: 1298200 20.9582 6.43036 -3.97114 6.43031 -23.1953 -32.4949 -3.97106 -32.4949 8.32474 GPRESSAVG: 1298200 20.7331 7.4541 -4.55298 5.29842 -22.6852 -34.5198 -2.90479 -33.3876 7.88802 TIMING: 1298200 CPU: 4052.37, 0.0031323/step Wall: 4052.37, 0.0031323/step, 3.22087 hours remaining, 234.781250 MB of memory in use. ENERGY: 1298200 4008.6256 20422.6886 14464.9587 243.7134 -203338.9138 2695.0809 0.0000 0.0000 52077.4857 -109426.3609 299.2900 -161503.8466 -109053.8373 298.8598 -111.3933 -86.8532 763727.1736 2.0292 1.9787 PRESSURE: 1298400 208.588 -60.0626 63.7083 -60.0631 -40.1261 92.4532 63.7081 92.4533 -205.548 GPRESSURE: 1298400 119.022 -146.462 25.4689 -44.4192 40.1136 97.9547 103.387 15.6407 -110.067 PRESSAVG: 1298400 -0.304709 13.9773 29.7068 13.9773 -12.1987 -30.7544 29.7069 -30.7544 2.01569 GPRESSAVG: 1298400 -0.796364 13.9791 29.6145 13.6213 -13.2349 -32.2286 30.1961 -30.1248 3.48376 TIMING: 1298400 CPU: 4052.99, 0.00312574/step Wall: 4052.99, 0.00312574/step, 3.21395 hours remaining, 234.781250 MB of memory in use. ENERGY: 1298400 4033.6985 20560.6122 14419.7278 245.6974 -203513.8988 2701.0267 0.0000 0.0000 52202.0710 -109351.0652 300.0060 -161553.1362 -108990.8151 299.1175 -12.3620 16.3565 762901.6721 -3.4959 -3.5158 PRESSURE: 1298600 45.3838 147.451 62.0586 147.45 44.0813 -109.174 62.0581 -109.174 278.124 GPRESSURE: 1298600 154.166 160.918 49.5924 112.357 104.16 -32.9971 36.0277 -248.718 186.176 PRESSAVG: 1298600 -0.950768 39.5513 3.30387 39.5513 -9.9588 -53.9751 3.30394 -53.9752 2.31623 GPRESSAVG: 1298600 -1.98522 38.7912 3.37347 39.8663 -7.62098 -53.136 3.04022 -56.2519 1.2842 TIMING: 1298600 CPU: 4053.61, 0.00311204/step Wall: 4053.61, 0.00311204/step, 3.1997 hours remaining, 234.781250 MB of memory in use. ENERGY: 1298600 3913.8585 20434.1949 14390.8352 245.0854 -203180.5072 2844.1137 0.0000 0.0000 51998.3503 -109354.0692 298.8352 -161352.4196 -108981.8729 298.9394 122.5297 148.1671 763442.0218 -2.8644 -2.7740 PRESSURE: 1298800 -204.992 -62.1868 147.919 -62.1872 -185.913 -3.18484 147.918 -3.18414 -2.0508 GPRESSURE: 1298800 -250.33 -19.6373 17.9341 -19.2301 -127.559 95.7053 206.502 9.19528 46.7849 PRESSAVG: 1298800 30.9759 36.3388 19.5796 36.3388 17.7644 -1.68619 19.5795 -1.68611 11.6365 GPRESSAVG: 1298800 30.6976 35.0128 19.2518 36.7934 17.8388 -0.950644 20.4073 0.655099 11.4916 TIMING: 1298800 CPU: 4054.24, 0.00312275/step Wall: 4054.24, 0.00312275/step, 3.21053 hours remaining, 234.781250 MB of memory in use. ENERGY: 1298800 4098.4709 20532.7785 14398.7930 256.9595 -203160.2864 2302.0078 0.0000 0.0000 52065.5558 -109505.7209 299.2215 -161571.2767 -109140.6912 299.1013 -130.9853 -110.3680 761431.2883 20.1256 20.0093 PRESSURE: 1299000 -14.2944 -140.854 -32.4995 -140.854 274.503 -290.078 -32.4983 -290.078 184.687 GPRESSURE: 1299000 131.985 -125.321 -26.9474 -146.651 222.705 -353.009 -160.998 -161.529 167.178 PRESSAVG: 1299000 -8.17073 -2.73592 14.9349 -2.7359 4.99067 5.23084 14.9348 5.23084 7.71651 GPRESSAVG: 1299000 -6.70836 -2.22953 15.7682 -5.26054 3.20824 5.29471 11.9585 5.27959 8.85477 TIMING: 1299000 CPU: 4054.87, 0.00313835/step Wall: 4054.87, 0.00313835/step, 3.2264 hours remaining, 234.781250 MB of memory in use. ENERGY: 1299000 4038.3182 20544.6083 14390.5250 246.4846 -203103.8469 2700.1978 0.0000 0.0000 51914.0203 -109269.6927 298.3506 -161183.7130 -108902.9008 298.8035 148.2984 173.9562 763206.5388 1.5122 1.7849 PRESSURE: 1299200 -425.294 -21.5288 -11.9327 -21.5292 -147.502 -142.437 -11.9327 -142.437 299.773 GPRESSURE: 1299200 -257.789 -78.1362 27.899 4.8952 -220.242 -146.051 91.2691 -214.228 303.38 PRESSAVG: 1299200 44.524 14.2419 -56.5539 14.2419 39.2739 -5.06661 -56.5539 -5.06661 -25.2111 GPRESSAVG: 1299200 43.3595 14.8039 -55.8843 15.3705 41.7051 -4.63765 -55.5969 -6.71714 -26.4347 TIMING: 1299200 CPU: 4055.49, 0.0031362/step Wall: 4055.49, 0.0031362/step, 3.22401 hours remaining, 234.781250 MB of memory in use. ENERGY: 1299200 3989.0925 20449.8137 14566.4177 258.4565 -203290.0063 2627.9992 0.0000 0.0000 52066.7645 -109331.4622 299.2284 -161398.2268 -108969.9847 299.3911 -91.0076 -58.2169 763964.8986 19.5290 19.5433 PRESSURE: 1299400 -6.85423 141.379 74.0669 141.379 -272.282 251.537 74.0678 251.537 30.1252 GPRESSURE: 1299400 -57.2324 90.5554 131.166 148.131 -136.585 326.842 50.1116 197.536 30.7292 PRESSAVG: 1299400 26.0016 -6.98618 58.8183 -6.98619 -2.72698 -84.2404 58.8183 -84.2404 -7.37465 GPRESSAVG: 1299400 27.0759 -8.14198 59.6133 -5.13445 -3.84917 -83.2805 59.5914 -80.8786 -7.24061 TIMING: 1299400 CPU: 4056.12, 0.00312429/step Wall: 4056.12, 0.00312429/step, 3.21159 hours remaining, 234.781250 MB of memory in use. ENERGY: 1299400 3974.6793 20646.8845 14458.1214 257.9662 -203798.5685 2978.0565 0.0000 0.0000 52054.7548 -109428.1058 299.1594 -161482.8605 -109060.8726 299.2282 -83.0037 -54.3629 760764.3361 5.3000 5.3287 PRESSURE: 1299600 -198.908 137.524 9.12852 137.525 172.199 -183.841 9.12843 -183.841 -77.1814 GPRESSURE: 1299600 -115.634 233.593 19.0085 157.833 192.573 -213.108 -22.2293 -285.377 -89.3791 PRESSAVG: 1299600 -46.3177 -27.5556 28.7763 -27.5555 27.7902 -8.60094 28.7763 -8.60096 12.6332 GPRESSAVG: 1299600 -46.9558 -26.1098 28.3231 -29.3922 28.1435 -10.4727 25.9598 -9.84544 13.2643 TIMING: 1299600 CPU: 4056.75, 0.00313246/step Wall: 4056.75, 0.00313246/step, 3.21982 hours remaining, 234.781250 MB of memory in use. ENERGY: 1299600 4004.8501 20383.2671 14411.0133 234.4758 -203900.4801 2778.6670 0.0000 0.0000 52346.3220 -109741.8847 300.8350 -162088.2067 -109386.5346 298.6841 -34.6300 -4.1466 760855.4296 -1.9647 -1.8494 PRESSURE: 1299800 -123.505 27.0484 9.89476 27.0494 28.2258 -1.97939 9.89522 -1.98076 -166.419 GPRESSURE: 1299800 -36.4672 -19.9366 7.50479 63.9842 5.49306 -1.70917 -65.9098 94.1669 -138.793 PRESSAVG: 1299800 -34.2532 67.962 5.86731 67.962 -21.8447 4.69641 5.86735 4.6964 -22.0177 GPRESSAVG: 1299800 -32.1441 67.2244 5.06272 70.3268 -22.0431 7.51105 7.75091 2.55958 -23.6889 TIMING: 1299800 CPU: 4057.37, 0.00314332/step Wall: 4057.37, 0.00314332/step, 3.23081 hours remaining, 234.781250 MB of memory in use. ENERGY: 1299800 4049.6290 20484.4980 14454.0532 251.0154 -203351.3288 2607.9589 0.0000 0.0000 51808.4598 -109695.7145 297.7439 -161504.1743 -109337.7743 298.2330 -87.2329 -56.5889 762990.7100 -26.0385 -25.9587 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1300000 WRITING COORDINATES TO RESTART FILE AT STEP 1300000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1300000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1300000 21.9734 49.995 -96.7689 49.9942 96.0692 51.3056 -96.7694 51.3064 182.445 GPRESSURE: 1300000 -2.6391 -104.326 -109.343 -10.5061 191.682 112.339 -97.7358 -46.0932 215.235 PRESSAVG: 1300000 -75.237 -40.7231 11.9725 -40.7231 85.2374 -41.7946 11.9726 -41.7947 0.707976 GPRESSAVG: 1300000 -77.5698 -40.9342 10.5079 -42.8318 85.133 -45.4505 14.0845 -38.3483 2.56218 TIMING: 1300000 CPU: 4058.02, 0.0032482/step Wall: 4058.02, 0.0032482/step, 3.33842 hours remaining, 234.781250 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: 1300000 3987.4119 20546.1944 14410.2350 243.3331 -203652.1312 2864.2285 0.0000 0.0000 52026.3904 -109574.3380 298.9964 -161600.7284 -109217.7440 298.0657 100.1625 134.7594 761254.9811 3.5695 3.3752 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1300000 PRESSURE: 1300200 -339.124 119.304 88.4935 119.304 -124.958 166.045 88.4935 166.045 280.582 GPRESSURE: 1300200 -224.286 114.541 154.927 113.109 -19.171 162.354 115.869 164.962 152.543 PRESSAVG: 1300200 -84.0053 12.0891 -1.82169 12.0891 67.509 -27.673 -1.82168 -27.673 9.99895 GPRESSAVG: 1300200 -83.8773 13.3417 -1.67808 11.9989 68.477 -27.4006 -3.38198 -29.8155 8.94941 TIMING: 1300200 CPU: 4058.65, 0.00315253/step Wall: 4058.65, 0.00315253/step, 3.23993 hours remaining, 234.781250 MB of memory in use. ENERGY: 1300200 4056.4800 20511.1523 14460.0976 246.1159 -203235.7842 2633.2230 0.0000 0.0000 52164.4238 -109164.2917 299.7897 -161328.7155 -108787.1075 298.7936 -61.1665 -30.3049 762873.4638 -2.1658 -2.1503 LDB: ============= START OF LOAD BALANCING ============== 4071.13 LDB: ============== END OF LOAD BALANCING =============== 4071.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4071.13 LDB: ============= START OF LOAD BALANCING ============== 4071.45 LDB: Largest compute 6984 load 0.029388 is 15.1% of average load 0.194979 LDB: Average compute 0.004400 is 2.3% of average load 0.194979 LDB: TIME 4071.45 LOAD: AVG 0.194979 MAX 0.215918 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.27 MB LDB: TIME 4071.45 LOAD: AVG 0.194979 MAX 0.215918 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.27 MB LDB: TIME 4071.45 LOAD: AVG 0.194979 MAX 0.215918 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.27 MB LDB: ============== END OF LOAD BALANCING =============== 4071.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4071.46 PRESSURE: 1300400 -83.0916 88.208 111.04 88.2077 -287.28 4.68625 111.041 4.68642 -254.629 GPRESSURE: 1300400 -12.5121 235.436 56.0062 -25.8397 -247.119 -38.434 47.7102 44.1374 -257.929 PRESSAVG: 1300400 -32.7336 26.0125 9.985 26.0126 22.8493 2.54082 9.98503 2.54083 13.2775 GPRESSAVG: 1300400 -32.6253 29.2248 9.72761 25.0604 22.3348 3.58279 10.4101 1.15042 13.5365 TIMING: 1300400 CPU: 4059.29, 0.00320314/step Wall: 4059.29, 0.00320314/step, 3.29176 hours remaining, 234.734375 MB of memory in use. ENERGY: 1300400 4081.6572 20679.0670 14434.0886 228.5355 -203235.1618 2665.7293 0.0000 0.0000 52020.2419 -109125.8425 298.9610 -161146.0844 -108763.8975 299.9365 -208.3335 -172.5198 762847.5415 1.1311 1.0820 PRESSURE: 1300600 199.821 78.1132 320.689 78.1135 -179.265 -172.287 320.689 -172.287 -78.7789 GPRESSURE: 1300600 229.977 10.7329 329.487 164.012 -88.8828 -140.651 270.868 -60.562 -101.193 PRESSAVG: 1300600 -35.1827 36.3025 9.93376 36.3025 78.0541 -11.4148 9.93382 -11.4148 -9.01113 GPRESSAVG: 1300600 -34.5378 32.5767 11.3633 40.1176 76.8591 -10.9196 11.0979 -9.38859 -8.93568 TIMING: 1300600 CPU: 4059.93, 0.00316079/step Wall: 4059.93, 0.00316079/step, 3.24806 hours remaining, 234.937500 MB of memory in use. ENERGY: 1300600 4044.1486 20496.5323 14514.4306 259.8619 -203410.6180 2899.3541 0.0000 0.0000 52229.7073 -108966.5832 300.1648 -161196.2905 -108602.7301 299.6947 -19.4078 13.3005 762409.2874 11.2868 11.1285 PRESSURE: 1300800 -324.004 99.9875 144.528 99.9863 -368.284 259.9 144.528 259.901 30.7435 GPRESSURE: 1300800 -356.409 152.509 47.5677 10.1282 -287.421 205.026 112.87 192.297 70.7534 PRESSAVG: 1300800 1.96627 -4.80018 -5.31184 -4.80012 22.4362 -24.7462 -5.31182 -24.7462 5.07324 GPRESSAVG: 1300800 2.70697 -2.8375 -5.99903 -7.02153 21.2952 -26.2039 -7.22185 -25.7995 5.16667 TIMING: 1300800 CPU: 4060.56, 0.00316491/step Wall: 4060.56, 0.00316491/step, 3.25212 hours remaining, 234.937500 MB of memory in use. ENERGY: 1300800 4054.5565 20535.8572 14505.8487 261.6854 -203523.9545 2758.1046 0.0000 0.0000 52286.1194 -109121.7827 300.4890 -161407.9021 -108758.0468 299.8153 -220.5147 -191.0255 764072.2800 9.8252 9.7230 PRESSURE: 1301000 -147.197 38.4934 100.61 38.4935 167.423 -86.1768 100.61 -86.177 113.605 GPRESSURE: 1301000 -99.3624 51.4637 -2.53067 37.0979 138.881 -93.0088 176.394 -81.5784 148.227 PRESSAVG: 1301000 -30.4989 16.7263 -20.2046 16.7263 57.5644 -29.1094 -20.2046 -29.1093 26.9587 GPRESSAVG: 1301000 -31.2022 14.6094 -22.7393 17.3301 57.6975 -29.5312 -17.2953 -28.4271 27.0511 TIMING: 1301000 CPU: 4061.19, 0.00314215/step Wall: 4061.19, 0.00314215/step, 3.22856 hours remaining, 234.937500 MB of memory in use. ENERGY: 1301000 4079.9406 20627.8361 14482.2415 233.5479 -203497.5760 2573.5638 0.0000 0.0000 52256.5981 -109243.8479 300.3194 -161500.4460 -108884.0805 299.9414 44.6102 62.5820 762996.8553 18.0081 17.8488 PRESSURE: 1301200 143.817 31.4069 126.75 31.407 96.2375 14.1831 126.751 14.1834 314.245 GPRESSURE: 1301200 185.251 24.9074 183.535 55.3171 176.726 22.2283 157.625 -100.812 289.991 PRESSAVG: 1301200 0.942939 -78.5892 21.3224 -78.5892 46.1236 -8.36215 21.3224 -8.36204 -3.51594 GPRESSAVG: 1301200 0.779775 -79.5452 23.1465 -78.8459 46.4646 -6.54995 19.6347 -10.8535 -3.54139 TIMING: 1301200 CPU: 4061.82, 0.00314563/step Wall: 4061.82, 0.00314563/step, 3.23196 hours remaining, 234.937500 MB of memory in use. ENERGY: 1301200 3896.6996 20659.3839 14510.2608 248.3369 -203597.2404 2865.8839 0.0000 0.0000 52168.6948 -109247.9804 299.8142 -161416.6752 -108886.2833 299.4361 184.7668 217.3225 763847.4915 14.5169 14.5677 PRESSURE: 1301400 -230.872 -85.0226 86.2506 -85.0223 55.7746 63.2007 86.2508 63.2011 -29.8115 GPRESSURE: 1301400 -144.63 -149.763 143.106 -67.1025 12.6526 -51.2494 62.3399 82.1127 26.0443 PRESSAVG: 1301400 10.9712 -11.8453 26.2681 -11.8453 12.3485 -53.6688 26.2681 -53.6688 21.9878 GPRESSAVG: 1301400 11.9458 -9.66833 27.4448 -11.8339 11.4821 -56.476 25.3538 -52.22 21.8517 TIMING: 1301400 CPU: 4062.45, 0.00314673/step Wall: 4062.45, 0.00314673/step, 3.23292 hours remaining, 234.937500 MB of memory in use. ENERGY: 1301400 4032.2515 20494.5243 14420.4125 237.6425 -203462.6021 2747.7887 0.0000 0.0000 52023.2021 -109506.7805 298.9781 -161529.9827 -109135.7569 299.2770 -68.3028 -35.3109 763118.2996 15.1025 15.0932 PRESSURE: 1301600 -6.50245 132.551 153.961 132.55 136.562 171.2 153.96 171.199 -209.554 GPRESSURE: 1301600 -21.09 238.912 137.561 111.557 177.369 268.736 26.5744 154.447 -152.798 PRESSAVG: 1301600 -42.2928 -45.9519 17.4727 -45.9519 2.25134 8.01451 17.4726 8.01446 13.1147 GPRESSAVG: 1301600 -43.0947 -46.3018 17.4555 -45.8074 2.19842 10.4576 15.9184 7.64023 13.6958 TIMING: 1301600 CPU: 4063.07, 0.0031415/step Wall: 4063.07, 0.0031415/step, 3.22737 hours remaining, 234.937500 MB of memory in use. ENERGY: 1301600 4033.1174 20550.0342 14447.9015 249.5975 -203840.7644 2914.4119 0.0000 0.0000 52141.5512 -109504.1508 299.6582 -161645.7020 -109149.2260 299.2308 -26.4979 1.1603 762594.2491 -8.9756 -9.0668 PRESSURE: 1301800 -284.074 107.958 -44.4541 107.958 36.6572 264.39 -44.4538 264.39 -371.789 GPRESSURE: 1301800 -83.8045 -32.7372 -40.167 147.685 -72.8449 209.597 -116.904 191.64 -385.982 PRESSAVG: 1301800 5.04476 -47.3204 -14.9304 -47.3204 -9.84539 12.255 -14.9304 12.255 -7.01128 GPRESSAVG: 1301800 4.72556 -47.6828 -13.5635 -46.2303 -9.51346 11.9659 -16.2081 12.2913 -6.51197 TIMING: 1301800 CPU: 4063.7, 0.00313513/step Wall: 4063.7, 0.00313513/step, 3.22065 hours remaining, 234.937500 MB of memory in use. ENERGY: 1301800 3990.1927 20524.9447 14491.6397 260.8209 -203449.2847 2526.7281 0.0000 0.0000 52009.9477 -109645.0108 298.9019 -161654.9585 -109280.1117 298.5999 -206.4019 -180.8771 762360.4609 -3.9373 -3.7666 PRESSURE: 1302000 93.3394 110.549 -183.989 110.549 -296.097 73.8916 -183.989 73.8921 61.8428 GPRESSURE: 1302000 41.9324 166.251 -212.094 167.228 -195.113 -31.5812 50.8363 190.411 92.5144 PRESSAVG: 1302000 7.70667 -26.3557 -31.9191 -26.3556 10.8847 25.5879 -31.9191 25.588 32.3083 GPRESSAVG: 1302000 7.86191 -26.588 -32.3229 -27.953 10.9477 26.9833 -27.8996 25.7498 32.3582 TIMING: 1302000 CPU: 4064.33, 0.00312948/step Wall: 4064.33, 0.00312948/step, 3.21467 hours remaining, 234.937500 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: 1302000 3986.2178 20628.1630 14459.5190 241.9047 -203703.8078 2863.6774 0.0000 0.0000 51736.0949 -109788.2310 297.3280 -161524.3260 -109429.7179 298.2789 -46.9716 -20.2220 761518.6947 16.9665 17.0559 PRESSURE: 1302200 117.816 -0.683577 225.028 -0.683335 116.316 81.3473 225.028 81.3462 -64.5103 GPRESSURE: 1302200 127.161 13.4232 221.13 112.742 118.154 -1.8476 247.346 5.78643 12.3954 PRESSAVG: 1302200 10.8137 19.3244 -44.2111 19.3244 24.7888 70.7027 -44.2112 70.7028 5.01497 GPRESSAVG: 1302200 9.01859 20.4319 -45.3065 18.8903 25.0615 68.9638 -43.5775 70.657 5.39948 TIMING: 1302200 CPU: 4064.96, 0.00314945/step Wall: 4064.96, 0.00314945/step, 3.23501 hours remaining, 234.937500 MB of memory in use. ENERGY: 1302200 4050.6420 20580.8784 14423.2292 224.3283 -203485.5162 2754.8892 0.0000 0.0000 51869.1975 -109582.3517 298.0930 -161451.5492 -109223.9684 298.2485 56.5408 85.9036 761084.0414 13.5391 13.1599 PRESSURE: 1302400 74.988 20.6682 67.9167 20.6681 -77.1943 -73.9087 67.9173 -73.9077 357.52 GPRESSURE: 1302400 123.475 63.638 165.368 39.7117 -18.2922 -77.6105 -13.7147 -30.3845 324.123 PRESSAVG: 1302400 -6.68234 -27.6825 -8.34788 -27.6824 22.4067 12.7314 -8.34785 12.7314 2.28725 GPRESSAVG: 1302400 -5.82926 -27.8463 -7.32636 -26.594 22.0107 12.6035 -9.23958 12.815 1.96943 TIMING: 1302400 CPU: 4065.59, 0.00318411/step Wall: 4065.59, 0.00318411/step, 3.27043 hours remaining, 234.937500 MB of memory in use. ENERGY: 1302400 3943.5653 20523.4846 14485.9686 239.2919 -203668.1794 2966.0315 0.0000 0.0000 51900.4255 -109609.4119 298.2725 -161509.8374 -109257.5679 298.5673 118.4379 143.1019 760756.0687 6.0039 6.0503 PRESSURE: 1302600 -50.371 145.788 151.014 145.789 245.945 26.4643 151.015 26.4641 -281.093 GPRESSURE: 1302600 -16.334 32.3935 140.835 251.213 248.35 14.2971 208.211 -69.3251 -241.169 PRESSAVG: 1302600 5.43562 -1.51773 -3.59361 -1.51769 -54.8082 -18.2629 -3.59348 -18.2629 4.18754 GPRESSAVG: 1302600 5.34908 -3.96735 -6.17265 -2.24614 -54.8537 -17.7657 -3.12861 -21.8634 4.01689 TIMING: 1302600 CPU: 4066.22, 0.00314441/step Wall: 4066.22, 0.00314441/step, 3.22949 hours remaining, 234.937500 MB of memory in use. ENERGY: 1302600 3871.5668 20721.9332 14449.9170 237.9586 -203591.9356 2816.9637 0.0000 0.0000 52031.5825 -109462.0138 299.0262 -161493.5963 -109106.2980 298.7172 -28.5066 -3.0511 760622.4712 -15.0617 -15.1626 PRESSURE: 1302800 -251.851 129.924 -18.5549 129.925 -250.938 -240.983 -18.5546 -240.983 -100.74 GPRESSURE: 1302800 -154.356 179.119 -117.488 58.6909 -216.415 -248.155 26.8756 -5.31994 -155.117 PRESSAVG: 1302800 -12.5997 19.2863 15.2131 19.2863 7.84406 27.7007 15.2131 27.7006 -3.2944 GPRESSAVG: 1302800 -10.5627 21.9827 17.7733 18.5582 7.62696 26.3546 14.7528 31.7074 -5.45191 TIMING: 1302800 CPU: 4066.85, 0.0031317/step Wall: 4066.85, 0.0031317/step, 3.21625 hours remaining, 234.937500 MB of memory in use. ENERGY: 1302800 3972.6108 20385.2784 14482.8606 253.2943 -203577.8196 2697.2820 0.0000 0.0000 52160.1135 -109626.3799 299.7649 -161786.4934 -109250.3847 299.4100 -201.1762 -175.2963 762347.5442 -2.6834 -2.7959 PRESSURE: 1303000 -273.043 62.7458 -67.0168 62.745 -12.3745 88.5006 -67.0172 88.5014 -246.837 GPRESSURE: 1303000 -331.206 -34.2376 -70.6264 41.8261 47.2894 8.44625 -32.9575 109.933 -146.341 PRESSAVG: 1303000 -14.7694 14.4092 -69.3715 14.4092 8.2714 11.3963 -69.3715 11.3962 10.6305 GPRESSAVG: 1303000 -16.3683 12.7766 -70.6339 14.1041 9.04537 11.8825 -70.5473 9.70146 11.5102 TIMING: 1303000 CPU: 4067.48, 0.00313864/step Wall: 4067.48, 0.00313864/step, 3.22321 hours remaining, 234.937500 MB of memory in use. ENERGY: 1303000 4014.2453 20597.0097 14379.1758 241.1914 -203456.4854 2437.3127 0.0000 0.0000 52037.3196 -109750.2309 299.0592 -161787.5505 -109391.7984 298.9062 -177.4181 -143.4190 760957.3244 1.3775 1.3957 PRESSURE: 1303200 44.5499 -69.9897 249.718 -69.9897 -70.5703 42.7903 249.719 42.79 -294.862 GPRESSURE: 1303200 56.9165 -106.165 182.15 -191.767 46.3856 59.1451 324.492 -52.3857 -307.511 PRESSAVG: 1303200 -55.4081 28.0202 -9.44273 28.0203 36.8939 79.5145 -9.44271 79.5145 -17.8963 GPRESSAVG: 1303200 -56.063 27.0077 -8.64737 28.0477 36.8725 80.3317 -10.2108 79.6431 -17.1123 TIMING: 1303200 CPU: 4068.11, 0.00314691/step Wall: 4068.11, 0.00314691/step, 3.23152 hours remaining, 234.937500 MB of memory in use. ENERGY: 1303200 3995.7849 20370.5954 14489.9101 238.8701 -203779.4309 2767.2341 0.0000 0.0000 52099.8069 -109817.2295 299.4183 -161917.0363 -109440.6795 298.2758 -106.9609 -68.0696 761259.7719 -12.1368 -12.1009 PRESSURE: 1303400 -126.077 47.3793 -50.9322 47.3787 211.002 -152.395 -50.9326 -152.394 330.183 GPRESSURE: 1303400 15.2984 48.8551 -33.7291 118.666 122.653 -100.735 -106.38 -261.204 331.642 PRESSAVG: 1303400 10.8869 -0.467862 -12.4012 -0.467921 -2.86549 11.1369 -12.4012 11.1368 -22.3268 GPRESSAVG: 1303400 11.8893 -0.0725513 -12.3998 2.21129 -2.80979 8.69199 -10.9003 12.2501 -23.9961 TIMING: 1303400 CPU: 4068.74, 0.00317403/step Wall: 4068.74, 0.00317403/step, 3.2592 hours remaining, 234.937500 MB of memory in use. ENERGY: 1303400 3970.7857 20426.8781 14466.2336 249.8570 -203392.8899 2737.0415 0.0000 0.0000 51813.3344 -109728.7596 297.7719 -161542.0940 -109365.2956 298.2693 138.3693 156.5310 760642.3401 -4.7685 -4.9722 PRESSURE: 1303600 29.9994 218.623 -54.049 218.623 210.328 36.4432 -54.0489 36.4431 -59.2926 GPRESSURE: 1303600 110.466 167.088 -29.4319 212.688 125.517 72.8061 -76.4495 23.3059 36.0335 PRESSAVG: 1303600 2.95181 3.53278 3.3608 3.5327 29.1485 35.5056 3.36077 35.5057 -20.9783 GPRESSAVG: 1303600 1.58895 4.39397 3.80902 2.3253 29.6089 38.1083 2.61681 33.824 -20.2297 TIMING: 1303600 CPU: 4069.37, 0.00314602/step Wall: 4069.37, 0.00314602/step, 3.23026 hours remaining, 234.937500 MB of memory in use. ENERGY: 1303600 4046.4058 20454.6331 14431.7380 240.1721 -203673.8732 2918.6807 0.0000 0.0000 51956.9358 -109625.3078 298.5972 -161582.2435 -109263.3534 298.3050 60.3450 90.6723 760622.5946 3.7073 3.6560 PRESSURE: 1303800 146.605 41.8873 -127.064 41.8878 197.61 -196.832 -127.064 -196.832 -54.6901 GPRESSURE: 1303800 205.838 10.834 -108.832 55.5682 275.799 -108.251 -60.7642 -296.677 -97.1903 PRESSAVG: 1303800 -29.9263 1.82316 -22.9214 1.82316 1.43419 -6.60178 -22.9213 -6.60183 17.0059 GPRESSAVG: 1303800 -29.8497 1.75508 -23.1136 0.636861 1.09107 -6.01884 -22.9832 -5.36404 16.9598 TIMING: 1303800 CPU: 4070, 0.00314816/step Wall: 4070, 0.00314816/step, 3.23229 hours remaining, 234.937500 MB of memory in use. ENERGY: 1303800 3909.8152 20561.5642 14480.9764 227.9195 -203274.4722 2788.4932 0.0000 0.0000 51924.8876 -109380.8160 298.4130 -161305.7036 -109029.2776 298.2773 96.5083 128.1489 761963.3177 -3.8287 -3.9329 PRESSURE: 1304000 -174.84 3.36214 -36.6106 3.36179 -381.461 262.78 -36.6103 262.78 -343.416 GPRESSURE: 1304000 -192.665 29.6624 56.4854 -37.1587 -298.071 315.445 -3.04834 132.815 -313.489 PRESSAVG: 1304000 11.545 -2.16515 63.9927 -2.16516 22.9327 44.2735 63.9926 44.2735 -8.15269 GPRESSAVG: 1304000 10.8881 -1.43336 63.8838 -0.920001 23.6721 43.0992 64.3626 44.9409 -7.52738 TIMING: 1304000 CPU: 4070.63, 0.00314534/step Wall: 4070.63, 0.00314534/step, 3.22922 hours remaining, 234.937500 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: 1304000 4049.1128 20409.6225 14512.9282 231.9760 -202981.1305 2304.3955 0.0000 0.0000 51882.2931 -109590.8024 298.1683 -161473.0955 -109215.8366 298.4694 -299.9057 -268.0748 763769.4386 8.7750 9.0110 PRESSURE: 1304200 -33.8609 111.307 -50.9444 111.306 -53.5532 166.136 -50.9445 166.136 75.493 GPRESSURE: 1304200 -50.455 57.7419 -58.8436 61.4931 24.268 198.604 -36.3995 107.213 104.095 PRESSAVG: 1304200 6.47947 22.78 -16.8131 22.7799 15.2539 41.973 -16.8132 41.9729 -8.54778 GPRESSAVG: 1304200 6.20691 20.5568 -16.8238 23.9511 15.3214 42.1704 -16.3935 40.4212 -8.1911 TIMING: 1304200 CPU: 4071.26, 0.00314005/step Wall: 4071.26, 0.00314005/step, 3.22361 hours remaining, 234.937500 MB of memory in use. ENERGY: 1304200 3906.0061 20405.9483 14479.9678 245.2742 -203373.3930 2747.9901 0.0000 0.0000 51958.0753 -109630.1312 298.6038 -161588.2065 -109270.0825 298.0945 -3.9737 25.9692 762185.6385 4.3952 4.4457 LDB: ============= START OF LOAD BALANCING ============== 4083.74 LDB: ============== END OF LOAD BALANCING =============== 4083.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4083.74 LDB: ============= START OF LOAD BALANCING ============== 4084.06 LDB: Largest compute 7010 load 0.029332 is 15.0% of average load 0.195032 LDB: Average compute 0.004389 is 2.3% of average load 0.195032 LDB: TIME 4084.06 LOAD: AVG 0.195032 MAX 0.215917 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.199 MB LDB: TIME 4084.06 LOAD: AVG 0.195032 MAX 0.215917 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.398 MB LDB: TIME 4084.06 LOAD: AVG 0.195032 MAX 0.215917 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.398 MB LDB: ============== END OF LOAD BALANCING =============== 4084.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4084.07 PRESSURE: 1304400 -166.218 65.0918 148.374 65.0923 -549.842 11.9069 148.374 11.9064 70.3978 GPRESSURE: 1304400 -93.7995 156.499 98.9803 91.3073 -512.702 15.1572 222.339 32.1986 50.6325 PRESSAVG: 1304400 28.1851 -25.9781 -44.049 -25.9781 -14.4171 20.3163 -44.049 20.3164 -1.65883 GPRESSAVG: 1304400 29.0297 -24.82 -45.717 -27.0349 -15.2832 20.074 -43.0678 21.4511 -1.78428 TIMING: 1304400 CPU: 4071.9, 0.0032208/step Wall: 4071.9, 0.0032208/step, 3.30633 hours remaining, 234.765625 MB of memory in use. ENERGY: 1304400 3994.4778 20418.0340 14440.2647 246.1297 -203139.0730 2525.0564 0.0000 0.0000 51778.6845 -109736.4259 297.5728 -161515.1104 -109367.8104 298.0416 -215.2207 -185.2898 762412.6168 4.0364 3.9874 PRESSURE: 1304600 -103.099 195.477 -42.6871 195.477 -58.1906 -79.3855 -42.6865 -79.3857 348.613 GPRESSURE: 1304600 -66.1253 136.917 -34.855 31.9667 -4.9388 -60.7758 -75.3151 62.2034 338.155 PRESSAVG: 1304600 10.4597 69.1771 -38.4519 69.1771 -2.88824 9.33166 -38.4519 9.33166 11.0371 GPRESSAVG: 1304600 9.70086 67.1025 -36.9934 67.5805 -1.21744 8.49004 -39.3817 9.79765 9.87943 TIMING: 1304600 CPU: 4072.53, 0.00314439/step Wall: 4072.53, 0.00314439/step, 3.22772 hours remaining, 234.968750 MB of memory in use. ENERGY: 1304600 3987.1566 20416.3484 14474.8603 263.5225 -203492.3631 2882.3237 0.0000 0.0000 51597.9443 -109870.2072 296.5341 -161468.1515 -109515.7703 297.9489 62.4411 89.0304 759835.2757 6.2029 6.1209 PRESSURE: 1304800 18.2258 -53.122 -274.246 -53.1226 -483.802 -125.371 -274.245 -125.373 -625.716 GPRESSURE: 1304800 -28.745 -12.88 -255.487 -61.3162 -393.919 -178.456 -282.044 -160.146 -595.721 PRESSAVG: 1304800 6.61765 40.9986 -37.8538 40.9985 8.85805 11.71 -37.8537 11.71 7.37059 GPRESSAVG: 1304800 7.34439 42.9555 -36.2202 41.3145 6.69188 12.7643 -40.1234 8.82986 8.33461 TIMING: 1304800 CPU: 4073.16, 0.00314655/step Wall: 4073.16, 0.00314655/step, 3.22976 hours remaining, 234.968750 MB of memory in use. ENERGY: 1304800 3951.2229 20464.1132 14478.2414 232.3404 -203346.4105 2513.9489 0.0000 0.0000 51840.3685 -109866.1751 297.9273 -161706.5436 -109497.8122 297.5593 -363.7639 -339.4617 762306.2546 7.6154 7.4570 PRESSURE: 1305000 99.5819 150.331 58.7666 150.331 -134.024 306.243 58.7663 306.243 -75.4297 GPRESSURE: 1305000 111.723 189.016 -42.52 194.403 -93.5747 284.777 39.8011 282.363 -50.1951 PRESSAVG: 1305000 19.4335 20.8143 -9.60317 20.8142 4.61021 27.4635 -9.60314 27.4636 3.08194 GPRESSAVG: 1305000 20.3131 19.8376 -11.4096 21.5938 5.37848 27.2064 -5.65954 31.0709 1.44934 TIMING: 1305000 CPU: 4073.79, 0.003171/step Wall: 4073.79, 0.003171/step, 3.25468 hours remaining, 234.968750 MB of memory in use. ENERGY: 1305000 3984.1304 20593.0128 14437.7999 261.7825 -203575.8906 2839.7889 0.0000 0.0000 51536.6581 -109922.7180 296.1819 -161459.3760 -109572.3629 297.6731 -36.6238 -10.6822 762903.0927 9.0419 9.0470 PRESSURE: 1305200 288.161 -111.123 281.646 -111.124 -212.267 -207.975 281.645 -207.975 302.927 GPRESSURE: 1305200 227.112 -75.9699 213.017 -115.222 -44.4758 -224.933 285.359 -122.524 267.556 PRESSAVG: 1305200 10.9407 22.756 18.8921 22.756 -8.74437 -54.0209 18.892 -54.0209 -5.91638 GPRESSAVG: 1305200 10.5042 24.4151 18.7842 23.4121 -8.45992 -54.5148 17.443 -56.2687 -6.1691 TIMING: 1305200 CPU: 4074.42, 0.00314123/step Wall: 4074.42, 0.00314123/step, 3.22395 hours remaining, 234.968750 MB of memory in use. ENERGY: 1305200 3969.6668 20350.0919 14447.1313 246.9774 -203699.3717 2925.3756 0.0000 0.0000 52211.9005 -109548.2282 300.0625 -161760.1287 -109180.0481 298.3939 126.2737 150.0640 762912.5534 -1.2400 -1.3749 PRESSURE: 1305400 -310.275 146.783 -347.558 146.784 -239.58 -161.614 -347.56 -161.614 -133.427 GPRESSURE: 1305400 -163.72 200.646 -367.274 207.434 -344.13 -124.723 -254.217 -162.854 -70.8512 PRESSAVG: 1305400 -50.8853 -16.8292 41.7728 -16.8292 29.0814 -14.8779 41.7727 -14.8779 -12.7386 GPRESSAVG: 1305400 -50.696 -17.5706 41.9282 -15.7611 27.8746 -16.1376 42.2635 -14.6541 -11.7941 TIMING: 1305400 CPU: 4075.05, 0.0031303/step Wall: 4075.05, 0.0031303/step, 3.21255 hours remaining, 234.968750 MB of memory in use. ENERGY: 1305400 4091.4815 20557.8251 14478.2044 232.6088 -203301.0715 2528.6235 0.0000 0.0000 52148.0793 -109264.2488 299.6957 -161412.3281 -108907.1525 299.2855 -227.7608 -192.9005 762657.3656 -11.5142 -11.5385 PRESSURE: 1305600 54.0869 198.778 -15.5942 198.778 -271.241 -242.187 -15.5946 -242.187 -62.9941 GPRESSURE: 1305600 65.1928 323.477 -76.1267 73.1855 -229.127 -173.996 24.0907 -260.49 -46.9853 PRESSAVG: 1305600 0.0578819 23.6511 -17.7533 23.6512 55.3576 -26.1791 -17.7533 -26.1791 -2.35753 GPRESSAVG: 1305600 0.772524 25.9341 -15.9269 21.9311 55.8288 -23.6355 -18.9598 -25.8599 -3.32568 TIMING: 1305600 CPU: 4075.68, 0.0031376/step Wall: 4075.68, 0.0031376/step, 3.21988 hours remaining, 234.968750 MB of memory in use. ENERGY: 1305600 3983.4460 20537.0594 14445.2004 239.9628 -203345.3081 2812.6887 0.0000 0.0000 51933.5910 -109393.3597 298.4631 -161326.9508 -109027.0414 299.3620 -93.3828 -70.3065 762862.4279 17.6860 17.7586 PRESSURE: 1305800 114.718 101.18 56.0674 101.179 -204.395 32.0649 56.0683 32.0651 -135.354 GPRESSURE: 1305800 82.2435 59.6229 45.9931 72.7418 -51.2401 6.23418 55.9015 -47.5419 -178.387 PRESSAVG: 1305800 39.8725 -21.4207 -16.3892 -21.4207 -10.3949 3.94865 -16.3892 3.94873 3.96338 GPRESSAVG: 1305800 38.0742 -22.265 -17.3482 -21.7383 -9.93318 3.0961 -15.8991 3.55256 5.0778 TIMING: 1305800 CPU: 4076.3, 0.00313202/step Wall: 4076.3, 0.00313202/step, 3.21397 hours remaining, 234.968750 MB of memory in use. ENERGY: 1305800 3927.0487 20517.6650 14449.0976 240.5413 -203116.0292 2545.8939 0.0000 0.0000 52186.6518 -109249.1309 299.9174 -161435.7827 -108878.0846 299.2764 -75.0104 -49.1279 761887.7443 11.1470 11.0729 PRESSURE: 1306000 -59.8053 -224.7 -60.5225 -224.7 -245.046 144.056 -60.5223 144.056 -109.991 GPRESSURE: 1306000 -162.439 -192.528 -76.9852 -301.714 -189.674 112.752 -125.492 46.4392 10.2247 PRESSAVG: 1306000 70.3338 -31.7478 -5.4155 -31.7477 -36.4655 25.7098 -5.41555 25.7098 13.8375 GPRESSAVG: 1306000 70.6728 -33.5362 -4.26843 -30.3983 -36.5766 25.0208 -4.81062 25.5073 13.7543 TIMING: 1306000 CPU: 4076.93, 0.00314269/step Wall: 4076.93, 0.00314269/step, 3.22475 hours remaining, 234.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1306000 3941.0453 20577.3902 14478.7833 255.7077 -203224.7504 2504.2416 0.0000 0.0000 52226.5803 -109241.0020 300.1469 -161467.5823 -108879.0323 299.4071 -138.2810 -113.9629 761352.2181 15.9019 15.9502 PRESSURE: 1306200 268.344 112.742 -16.6403 112.742 -37.8896 -21.2636 -16.6404 -21.2645 437.84 GPRESSURE: 1306200 299.937 60.39 16.8916 145.464 1.14212 28.6053 -111.086 24.7267 448.631 PRESSAVG: 1306200 33.1549 -29.4762 -14.6152 -29.4762 -12.1206 -22.3775 -14.6153 -22.3775 13.9548 GPRESSAVG: 1306200 33.7081 -29.064 -15.4335 -28.2585 -12.7504 -21.2397 -16.1406 -22.6005 13.7726 TIMING: 1306200 CPU: 4077.56, 0.00313243/step Wall: 4077.56, 0.00313243/step, 3.21405 hours remaining, 234.968750 MB of memory in use. ENERGY: 1306200 4004.8443 20503.5796 14535.4485 243.2016 -203271.0769 2858.4971 0.0000 0.0000 51932.1669 -109193.3391 298.4549 -161125.5060 -108839.4387 299.3863 222.7650 249.9034 762442.9892 11.6630 11.5768 PRESSURE: 1306400 -29.552 4.19716 39.7728 4.19636 315.884 71.7256 39.7735 71.7247 408.494 GPRESSURE: 1306400 -126.864 -89.8423 172.187 -40.4277 395.399 23.152 140.912 116.797 509.545 PRESSAVG: 1306400 45.2428 10.8045 -1.3803 10.8046 -22.8697 22.5551 -1.38024 22.5551 -3.52888 GPRESSAVG: 1306400 46.336 10.5009 -3.27677 9.56508 -23.2509 23.3719 -0.0949481 23.1911 -4.57048 TIMING: 1306400 CPU: 4078.19, 0.00314354/step Wall: 4078.19, 0.00314354/step, 3.22528 hours remaining, 234.968750 MB of memory in use. ENERGY: 1306400 3928.2340 20494.2031 14417.1536 241.7757 -203698.9848 2998.5814 0.0000 0.0000 52228.4237 -109390.6132 300.1575 -161619.0369 -109023.0411 299.0097 231.6085 259.3599 760906.1800 6.2814 6.1715 PRESSURE: 1306600 -87.8988 28.7358 -204.291 28.736 88.4385 114.134 -204.291 114.133 -478.88 GPRESSURE: 1306600 -107.233 13.218 -159.266 35.6248 64.5849 91.8499 -268.739 118.882 -358.386 PRESSAVG: 1306600 21.9773 -69.3396 -72.6717 -69.3396 -13.2962 42.0642 -72.6718 42.0641 16.2009 GPRESSAVG: 1306600 20.0287 -68.4316 -70.3644 -70.6205 -11.8255 41.9299 -72.5768 42.7103 16.9042 TIMING: 1306600 CPU: 4078.81, 0.00313118/step Wall: 4078.81, 0.00313118/step, 3.21242 hours remaining, 234.968750 MB of memory in use. ENERGY: 1306600 3958.5219 20551.0918 14476.7498 244.9419 -203097.7540 2526.2695 0.0000 0.0000 51969.6259 -109370.5531 298.6702 -161340.1790 -109020.6089 299.2745 -159.4467 -133.6781 760947.6707 8.2940 8.3691 PRESSURE: 1306800 -132.532 135.283 272.606 135.283 -24.4839 86.6932 272.606 86.6927 -61.187 GPRESSURE: 1306800 -121.964 6.02679 324.315 253.932 5.06037 87.0086 154.879 75.3698 -2.15609 PRESSAVG: 1306800 13.3525 -4.18171 -65.9109 -4.18176 -18.709 53.431 -65.9108 53.431 11.6391 GPRESSAVG: 1306800 14.3548 -4.36939 -67.3164 -2.89848 -19.6962 52.832 -65.9649 51.7583 11.505 TIMING: 1306800 CPU: 4079.44, 0.0031434/step Wall: 4079.44, 0.0031434/step, 3.22478 hours remaining, 234.968750 MB of memory in use. ENERGY: 1306800 3912.0986 20661.4901 14445.1980 260.3040 -202927.4728 2416.1676 0.0000 0.0000 51920.8780 -109311.3366 298.3900 -161232.2146 -108965.9593 298.8701 -72.7342 -39.6866 761348.9817 2.0942 2.0545 PRESSURE: 1307000 -268.111 132.942 -193.365 132.942 1.92428 3.07089 -193.366 3.07128 176.506 GPRESSURE: 1307000 -230.509 91.7079 -172.166 166.565 48.4955 -74.3983 -168.359 -62.3836 164.945 PRESSAVG: 1307000 -6.80271 -20.9818 -40.8063 -20.9817 9.36211 27.895 -40.8063 27.895 -3.03178 GPRESSAVG: 1307000 -7.07539 -21.1224 -37.4336 -21.2442 9.62605 26.246 -42.4434 27.1702 -3.14825 TIMING: 1307000 CPU: 4080.07, 0.00314064/step Wall: 4080.07, 0.00314064/step, 3.22178 hours remaining, 234.968750 MB of memory in use. ENERGY: 1307000 3946.8290 20502.9173 14498.5735 255.9534 -202873.3873 2479.0778 0.0000 0.0000 51850.9935 -109339.0430 297.9884 -161190.0364 -108983.9317 298.7047 -29.8938 -5.6896 762633.6155 -0.1575 -0.1992 PRESSURE: 1307200 -331.406 -12.2783 85.4914 -12.279 -148.826 -188.29 85.4908 -188.29 -272.286 GPRESSURE: 1307200 -289.136 -98.3352 0.768759 32.3811 -147.205 -262.569 88.4676 -130.318 -239.535 PRESSAVG: 1307200 -34.515 8.20855 -45.796 8.20854 -19.2925 -37.802 -45.7961 -37.802 11.2761 GPRESSAVG: 1307200 -35.5076 9.1387 -47.8011 7.94684 -20.0345 -37.269 -45.2269 -35.7691 12.4343 TIMING: 1307200 CPU: 4080.7, 0.00314701/step Wall: 4080.7, 0.00314701/step, 3.22813 hours remaining, 234.968750 MB of memory in use. ENERGY: 1307200 4022.7776 20520.4676 14511.0370 257.8849 -202783.3853 2412.0077 0.0000 0.0000 51952.0382 -109107.1723 298.5691 -161059.2105 -108749.2079 299.2223 -250.8391 -225.2919 763203.8956 -14.1772 -14.3693 PRESSURE: 1307400 -111.758 -162.264 -123.906 -162.263 166.466 -269.87 -123.906 -269.871 234.578 GPRESSURE: 1307400 -15.0408 -204.855 -66.2047 -152.599 210.697 -299.634 -68.6851 -142.493 182.44 PRESSAVG: 1307400 8.25789 59.0183 -72.7106 59.0183 -8.32862 -38.0665 -72.7106 -38.0665 17.394 GPRESSAVG: 1307400 8.69953 55.2918 -74.5175 60.2785 -7.77354 -38.1044 -72.1759 -37.8939 16.499 TIMING: 1307400 CPU: 4081.33, 0.00315874/step Wall: 4081.33, 0.00315874/step, 3.23998 hours remaining, 234.968750 MB of memory in use. ENERGY: 1307400 3977.9977 20462.8400 14521.0880 235.9869 -203309.4075 2877.5480 0.0000 0.0000 51946.3243 -109287.6226 298.5362 -161233.9469 -108923.1057 299.3959 96.4285 126.0321 761906.5043 5.7744 5.8083 PRESSURE: 1307600 -153.44 -220.699 55.7613 -220.698 188.527 -41.5606 55.7617 -41.5602 255.308 GPRESSURE: 1307600 -213.314 -130.346 77.3514 -135.69 261.544 12.6818 -16.6142 -64.4951 312.564 PRESSAVG: 1307600 15.7597 -40.6765 -20.4509 -40.6765 -4.53823 -22.6811 -20.4508 -22.681 -13.1066 GPRESSAVG: 1307600 15.5977 -38.6771 -17.4057 -39.5391 -4.21574 -20.3581 -19.234 -23.8206 -13.3718 TIMING: 1307600 CPU: 4081.96, 0.00315645/step Wall: 4081.96, 0.00315645/step, 3.23746 hours remaining, 234.968750 MB of memory in use. ENERGY: 1307600 3899.8534 20552.0473 14601.8448 245.7286 -202912.1875 2593.0699 0.0000 0.0000 51852.3912 -109167.2523 297.9964 -161019.6435 -108807.1592 299.1327 96.7983 120.2648 761426.9317 -0.6284 -0.6633 PRESSURE: 1307800 187.935 24.9215 267.227 24.9209 143.281 164.186 267.226 164.186 153.637 GPRESSURE: 1307800 132.348 33.5374 175.876 62.3678 212.11 173.167 160.697 56.538 230.235 PRESSAVG: 1307800 -43.0333 10.0678 -6.56879 10.0678 32.6543 11.0872 -6.56877 11.0873 -5.46239 GPRESSAVG: 1307800 -42.3536 10.777 -7.08179 8.36219 32.1801 10.2526 -7.3878 10.3744 -5.88697 TIMING: 1307800 CPU: 4082.59, 0.00315941/step Wall: 4082.59, 0.00315941/step, 3.24033 hours remaining, 234.968750 MB of memory in use. ENERGY: 1307800 3971.0460 20627.2782 14470.1621 245.8390 -203470.1576 2953.1821 0.0000 0.0000 52177.5316 -109025.1186 299.8650 -161202.6501 -108665.1701 299.5569 161.6176 191.5644 761957.6833 -5.2805 -5.3535 PRESSURE: 1308000 -219.155 -73.254 -12.642 -73.254 102.774 64.7887 -12.6416 64.7885 -111.227 GPRESSURE: 1308000 -189.789 -94.1521 -157.027 10.4913 175.758 55.3265 146.258 180.049 -140.539 PRESSAVG: 1308000 5.73069 12.0025 1.62655 12.0024 22.4353 12.3437 1.62658 12.3438 25.8147 GPRESSAVG: 1308000 6.35932 12.1377 1.33818 13.0579 22.3404 12.722 0.586822 13.3554 25.186 TIMING: 1308000 CPU: 4083.23, 0.00316267/step Wall: 4083.23, 0.00316267/step, 3.24349 hours remaining, 234.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1308000 3953.5294 20614.1192 14581.4560 248.3084 -203242.4554 2895.3529 0.0000 0.0000 52107.9770 -108841.7126 299.4653 -160949.6895 -108486.7408 299.9442 -75.8691 -51.5234 763372.3113 17.9935 17.9619 PRESSURE: 1308200 -268.187 5.26857 64.8856 5.26841 3.97578 61.1764 64.8856 61.1761 131.422 GPRESSURE: 1308200 -220.376 82.2704 99.5018 -103.543 32.602 101.207 156.829 121.198 133.636 PRESSAVG: 1308200 -31.5166 -0.471558 -30.6958 -0.471607 -1.91088 -28.7795 -30.6958 -28.7795 -4.51097 GPRESSAVG: 1308200 -32.3692 0.25718 -30.2382 -2.05322 -2.4538 -28.4578 -28.6655 -29.5285 -3.24129 TIMING: 1308200 CPU: 4083.86, 0.00315252/step Wall: 4083.86, 0.00315252/step, 3.23291 hours remaining, 234.968750 MB of memory in use. ENERGY: 1308200 3984.2593 20580.8444 14463.5685 245.9403 -203158.9026 2691.0218 0.0000 0.0000 52301.7962 -108891.4721 300.5791 -161193.2684 -108524.2795 300.1802 -44.2632 -18.0459 762862.3314 -12.6462 -12.6881 LDB: ============= START OF LOAD BALANCING ============== 4096.34 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4096.34 LDB: =============== DONE WITH MIGRATION ================ 4096.34 LDB: ============= START OF LOAD BALANCING ============== 4096.65 LDB: Largest compute 6984 load 0.031068 is 15.9% of average load 0.195099 LDB: Average compute 0.004381 is 2.2% of average load 0.195099 LDB: TIME 4096.66 LOAD: AVG 0.195099 MAX 0.214472 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 4096.66 LOAD: AVG 0.195099 MAX 0.214472 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: TIME 4096.66 LOAD: AVG 0.195099 MAX 0.214472 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: ============== END OF LOAD BALANCING =============== 4096.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4096.66 PRESSURE: 1308400 156.709 21.0877 140.791 21.0873 152.977 -38.3421 140.79 -38.3412 223.206 GPRESSURE: 1308400 173.454 118.18 214.076 39.0856 244.905 29.0694 139.819 -47.2254 188.114 PRESSAVG: 1308400 -68.7935 -10.2323 2.42888 -10.2323 14.0079 -10.5659 2.42882 -10.5658 -4.897 GPRESSAVG: 1308400 -68.5914 -9.42758 2.6796 -10.9922 15.4409 -11.1752 1.18369 -11.3291 -6.32525 TIMING: 1308400 CPU: 4084.5, 0.00320808/step Wall: 4084.5, 0.00320808/step, 3.28971 hours remaining, 234.511719 MB of memory in use. ENERGY: 1308400 4044.9963 20667.1987 14493.3824 258.0410 -203287.5473 2947.9539 0.0000 0.0000 52459.8847 -108416.0904 301.4877 -160875.9751 -108057.8549 301.2479 177.6308 202.1578 764668.8492 -19.8942 -19.8253 PRESSURE: 1308600 -178.935 -155.79 -120.69 -155.788 -215.168 -329.528 -120.689 -329.528 -230.211 GPRESSURE: 1308600 -147.631 -40.6572 -179.387 -156.707 -186.569 -480.077 -126.472 -293.493 -211.866 PRESSAVG: 1308600 14.5834 20.424 19.52 20.4239 21.185 38.9712 19.52 38.9712 10.8035 GPRESSAVG: 1308600 13.6802 17.6038 19.5434 23.1928 21.9113 39.8968 19.8318 40.2996 11.3956 TIMING: 1308600 CPU: 4085.13, 0.0031482/step Wall: 4085.13, 0.0031482/step, 3.22813 hours remaining, 234.511719 MB of memory in use. ENERGY: 1308600 4141.3700 20648.0933 14538.8724 257.7385 -203119.1876 2683.2924 0.0000 0.0000 52215.9397 -108633.8813 300.0857 -160849.8210 -108267.2696 300.7839 -208.1049 -182.0220 764586.5972 15.5240 15.6624 PRESSURE: 1308800 -5.1108 -78.2086 133.059 -78.2093 -107.747 223.719 133.06 223.719 -35.3781 GPRESSURE: 1308800 0.687836 21.358 144.039 19.1322 -70.2295 224.312 120.85 126.313 0.229342 PRESSAVG: 1308800 -2.26702 36.8012 -32.0383 36.8011 35.1543 64.2432 -32.0383 64.2432 3.10808 GPRESSAVG: 1308800 -1.9174 39.4216 -31.5988 37.0654 35.6498 63.9482 -32.0624 61.7646 2.94764 TIMING: 1308800 CPU: 4085.76, 0.00313971/step Wall: 4085.76, 0.00313971/step, 3.21925 hours remaining, 234.511719 MB of memory in use. ENERGY: 1308800 4069.3377 20615.5430 14546.5419 232.5874 -203212.1425 2847.7219 0.0000 0.0000 52306.1275 -108594.2831 300.6040 -160900.4106 -108229.4145 300.3891 -49.4119 -23.1041 765300.6980 11.9985 12.2267 PRESSURE: 1309000 -395.955 -28.3067 7.01979 -28.3071 -448.763 167.979 7.01886 167.98 -313.798 GPRESSURE: 1309000 -369.838 -80.1303 59.2167 -58.1169 -413.534 157.346 -22.8632 171.86 -273.221 PRESSAVG: 1309000 20.105 -26.2875 10.7416 -26.2875 -17.7106 16.5927 10.7416 16.5928 11.1346 GPRESSAVG: 1309000 20.6361 -28.0052 10.0752 -27.9188 -18.2074 14.315 11.7881 20.4488 10.8229 TIMING: 1309000 CPU: 4086.38, 0.00313593/step Wall: 4086.38, 0.00313593/step, 3.2152 hours remaining, 234.511719 MB of memory in use. ENERGY: 1309000 4003.8602 20584.9116 14551.5580 228.1351 -202611.6362 2370.9777 0.0000 0.0000 52180.3628 -108691.8308 299.8813 -160872.1936 -108326.4615 300.6111 -386.1722 -352.1978 764392.4173 4.5097 4.4172 PRESSURE: 1309200 -378.655 164.378 -54.0039 164.378 -83.7619 89.2702 -54.0035 89.2706 -253.064 GPRESSURE: 1309200 -397.671 75.6706 -39.8361 157.978 48.7965 116.382 19.7763 40.9956 -251.628 PRESSAVG: 1309200 8.09523 -56.064 16.684 -56.0641 24.0153 37.5396 16.684 37.5396 -1.15762 GPRESSAVG: 1309200 8.87547 -54.9237 16.2209 -56.4257 22.4663 39.1867 14.9705 34.9457 0.0331478 TIMING: 1309200 CPU: 4087.01, 0.00314303/step Wall: 4087.01, 0.00314303/step, 3.22231 hours remaining, 234.511719 MB of memory in use. ENERGY: 1309200 3991.1801 20496.1581 14523.6450 238.4076 -203261.8950 2815.9272 0.0000 0.0000 52234.6542 -108961.9226 300.1933 -161196.5768 -108595.7603 300.0143 -238.4937 -200.1676 763369.0132 10.3176 10.4583 PRESSURE: 1309400 -81.9005 -285.139 57.9805 -285.139 -259.119 117.583 57.9806 117.583 -280.283 GPRESSURE: 1309400 -2.78409 -296.495 116.674 -287.548 -242.352 84.3692 85.8755 176.211 -286.558 PRESSAVG: 1309400 -31.044 -13.5048 17.2627 -13.5049 51.5553 31.3798 17.2627 31.3797 -1.9592 GPRESSAVG: 1309400 -31.8487 -13.7181 18.5896 -13.9886 52.4558 31.8765 19.5701 32.2172 -2.73056 TIMING: 1309400 CPU: 4087.64, 0.00313606/step Wall: 4087.64, 0.00313606/step, 3.21498 hours remaining, 234.511719 MB of memory in use. ENERGY: 1309400 4072.2649 20304.1624 14477.6548 243.9886 -203186.5419 2844.3652 0.0000 0.0000 52226.5068 -109017.5992 300.1465 -161244.1060 -108648.5738 299.7401 -207.1011 -177.2315 763120.8805 6.1840 5.9589 PRESSURE: 1309600 -539.691 -306.134 116.351 -306.134 212.349 16.0485 116.35 16.0497 -184.046 GPRESSURE: 1309600 -478.897 -276.264 82.0392 -350.578 218.95 3.23139 48.4167 50.3021 -147.331 PRESSAVG: 1309600 -11.5051 -83.8035 -3.15116 -83.8034 16.0872 14.5225 -3.1512 14.5225 -5.16792 GPRESSAVG: 1309600 -11.1364 -83.7417 -3.20712 -84.4049 16.0418 13.3368 -5.51155 14.572 -5.52916 TIMING: 1309600 CPU: 4088.27, 0.00313866/step Wall: 4088.27, 0.00313866/step, 3.21748 hours remaining, 234.511719 MB of memory in use. ENERGY: 1309600 4027.8732 20536.1698 14451.3251 240.7251 -202695.7356 2334.6269 0.0000 0.0000 52117.6492 -108987.3662 299.5208 -161105.0154 -108628.3764 299.6719 -170.4626 -135.7591 762985.6299 -0.1953 -0.2079 PRESSURE: 1309800 -26.1683 -19.491 -91.8384 -19.4897 -163.457 -174.153 -91.8381 -174.154 -55.121 GPRESSURE: 1309800 67.6469 -54.1405 -45.9913 1.95501 -149.598 -158.135 -70.7747 -144.32 -91.76 PRESSAVG: 1309800 -24.3183 -10.7772 48.9194 -10.7772 36.751 57.6835 48.9194 57.6834 2.74269 GPRESSAVG: 1309800 -24.3062 -10.9346 48.3807 -11.2884 36.4836 58.5062 49.2947 57.7781 3.13458 TIMING: 1309800 CPU: 4088.9, 0.00314967/step Wall: 4088.9, 0.00314967/step, 3.22859 hours remaining, 234.511719 MB of memory in use. ENERGY: 1309800 3968.6892 20579.4444 14433.5933 231.3985 -203246.3331 2807.6483 0.0000 0.0000 52015.8508 -109209.7086 298.9358 -161225.5594 -108849.9912 299.4744 -81.5820 -57.9038 761850.1829 5.0585 5.1040 PRESSURE: 1310000 138.288 72.9522 83.7621 72.9528 196.179 -72.6087 83.7622 -72.6082 -37.2379 GPRESSURE: 1310000 191.223 80.5874 107.54 170.579 184.129 -103.637 19.632 -7.01798 5.66942 PRESSAVG: 1310000 -5.9914 1.57206 -50.1269 1.57202 24.2571 -13.6929 -50.1269 -13.6929 -25.6243 GPRESSAVG: 1310000 -7.44915 -0.09002 -49.6583 1.48657 24.6691 -14.5576 -52.2385 -12.4546 -24.9046 TIMING: 1310000 CPU: 4089.53, 0.00314754/step Wall: 4089.53, 0.00314754/step, 3.22623 hours remaining, 234.511719 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: 1310000 3944.1451 20377.5982 14521.4597 258.7222 -203112.3933 2886.5854 0.0000 0.0000 51996.3123 -109127.5703 298.8235 -161123.8826 -108767.6188 299.4002 99.0764 127.0070 762129.1746 -2.4529 -2.5615 PRESSURE: 1310200 -13.8108 -76.9082 89.7357 -76.9085 -228.976 6.68747 89.7356 6.68838 -25.2862 GPRESSURE: 1310200 28.003 2.26574 108.346 -37.9163 -162.83 -80.8317 34.8737 39.4552 -63.1713 PRESSAVG: 1310200 -4.88988 -41.2144 -12.8676 -41.2144 -21.6586 52.5839 -12.8676 52.5839 -11.3972 GPRESSAVG: 1310200 -3.17954 -39.4568 -13.2478 -40.2881 -22.4239 52.4292 -11.6892 50.7227 -12.5275 TIMING: 1310200 CPU: 4090.15, 0.00313844/step Wall: 4090.15, 0.00313844/step, 3.21673 hours remaining, 234.511719 MB of memory in use. ENERGY: 1310200 4016.0432 20350.3807 14542.7590 236.2233 -202811.2335 2644.3496 0.0000 0.0000 51900.1762 -109121.3015 298.2710 -161021.4777 -108748.3788 298.7671 -89.3576 -65.9995 762546.4496 -12.6486 -12.7103 PRESSURE: 1310400 17.945 27.9809 102.444 27.9805 -110.518 -254.011 102.444 -254.012 -47.5512 GPRESSURE: 1310400 88.43 -15.2166 83.7816 -4.85853 -183.314 -216.285 155.521 -144.535 28.2975 PRESSAVG: 1310400 -8.74276 -11.9947 -33.1423 -11.9947 14.8686 9.29872 -33.1423 9.29871 7.76122 GPRESSAVG: 1310400 -9.20928 -11.9662 -32.6641 -13.31 14.9551 11.2894 -31.8579 10.3313 8.11275 TIMING: 1310400 CPU: 4090.78, 0.00315352/step Wall: 4090.78, 0.00315352/step, 3.232 hours remaining, 234.511719 MB of memory in use. ENERGY: 1310400 3948.0271 20624.2654 14553.0612 241.6428 -202685.1431 2327.2798 0.0000 0.0000 51813.0496 -109177.8172 297.7703 -160990.8668 -108817.7461 298.9608 -46.7081 -22.1954 762172.5811 4.6290 4.6195 PRESSURE: 1310600 236.419 11.1538 -50.9272 11.154 375.55 -264.167 -50.9292 -264.166 -415.259 GPRESSURE: 1310600 375.646 105.667 -79.8586 6.955 263.974 -212.548 -90.9173 -194.567 -352.086 PRESSAVG: 1310600 -11.2475 60.7989 -18.1306 60.7989 52.2124 16.8697 -18.1305 16.8697 6.01782 GPRESSAVG: 1310600 -12.0892 63.3082 -18.1311 61.3684 51.2987 15.9562 -17.0478 16.1273 7.69096 TIMING: 1310600 CPU: 4091.41, 0.00314105/step Wall: 4091.41, 0.00314105/step, 3.21905 hours remaining, 234.511719 MB of memory in use. ENERGY: 1310600 3971.8859 20468.5014 14477.3829 260.7111 -203400.2811 2789.6845 0.0000 0.0000 52008.8179 -109423.2973 298.8954 -161432.1152 -109072.3354 298.8938 65.5700 95.8450 761564.9444 15.6609 15.6335 PRESSURE: 1310800 -181.982 225.282 -139.732 225.282 -164.525 28.35 -139.732 28.3496 -257.137 GPRESSURE: 1310800 -146.157 229.959 -64.5534 151.915 -122.968 111.232 -81.0251 165.404 -262.581 PRESSAVG: 1310800 13.7209 96.9716 -0.0228515 96.9715 55.1667 -5.84946 -0.0228224 -5.84941 16.1526 GPRESSAVG: 1310800 15.8108 92.7404 0.603151 96.202 55.0176 -5.46844 -0.583198 -7.10277 14.057 TIMING: 1310800 CPU: 4092.04, 0.0031617/step Wall: 4092.04, 0.0031617/step, 3.24004 hours remaining, 234.511719 MB of memory in use. ENERGY: 1310800 3997.0114 20414.0385 14510.1714 275.6939 -203437.5811 2925.5245 0.0000 0.0000 51985.5847 -109329.5567 298.7619 -161315.1414 -108969.1428 298.4147 -201.2146 -177.2352 762283.6701 28.3467 28.2951 PRESSURE: 1311000 -194.275 -127.376 279.331 -127.377 -349.162 171.387 279.33 171.387 177.565 GPRESSURE: 1311000 -91.2836 -141.762 234.652 -74.1179 -276.036 176.44 119.561 159.46 95.3826 PRESSAVG: 1311000 -12.2627 27.7355 8.72472 27.7355 2.2486 -11.7466 8.72473 -11.7466 -4.20426 GPRESSAVG: 1311000 -13.6818 28.686 7.96018 29.4604 3.28468 -11.6955 8.78709 -9.69901 -3.42149 TIMING: 1311000 CPU: 4092.67, 0.00314063/step Wall: 4092.67, 0.00314063/step, 3.21827 hours remaining, 234.511719 MB of memory in use. ENERGY: 1311000 4004.7346 20453.4221 14365.6016 242.7265 -203149.1487 2736.5023 0.0000 0.0000 52007.0505 -109339.1110 298.8852 -161346.1615 -108977.1346 298.6970 -121.9575 -90.6457 762176.4685 -4.7395 -4.6062 PRESSURE: 1311200 95.145 177.482 -98.2724 177.481 220.246 -15.4054 -98.2737 -15.4053 356.728 GPRESSURE: 1311200 172.003 208.183 -42.0545 119.637 175.965 25.9492 -123.415 -66.6645 393.687 PRESSAVG: 1311200 4.61075 -30.2105 31.7705 -30.2106 3.25798 -9.80453 31.7705 -9.80452 -9.59739 GPRESSAVG: 1311200 5.40566 -31.7382 30.8764 -30.2198 2.85031 -10.4183 30.9811 -12.0336 -9.74434 TIMING: 1311200 CPU: 4093.3, 0.00314782/step Wall: 4093.3, 0.00314782/step, 3.22546 hours remaining, 234.511719 MB of memory in use. ENERGY: 1311200 4019.2748 20446.6895 14410.4874 241.5187 -203059.6676 2636.1025 0.0000 0.0000 52085.0242 -109220.5704 299.3334 -161305.5946 -108853.5827 298.9030 224.0396 247.2182 761979.1852 -0.5762 -0.4961 PRESSURE: 1311400 -502.042 -217.422 -171.83 -217.422 213.752 172.057 -171.828 172.056 -11.0976 GPRESSURE: 1311400 -332.764 -216.595 -191.267 -81.8744 110.349 100.488 -53.525 168.431 6.10246 PRESSAVG: 1311400 -3.15477 -27.6902 19.7207 -27.6901 39.1565 32.3547 19.7207 32.3547 -2.31842 GPRESSAVG: 1311400 -4.58148 -25.8581 20.9813 -28.1219 40.0414 33.6849 21.2367 33.0076 -1.32183 TIMING: 1311400 CPU: 4093.93, 0.00314096/step Wall: 4093.93, 0.00314096/step, 3.21826 hours remaining, 234.511719 MB of memory in use. ENERGY: 1311400 4068.9275 20385.7538 14492.0977 246.9436 -203170.0974 2658.7894 0.0000 0.0000 52136.1772 -109181.4081 299.6273 -161317.5853 -108810.7089 299.2171 -99.7957 -72.1040 762340.6016 11.2278 11.3794 PRESSURE: 1311600 -235.982 -71.4758 123.745 -71.4758 -177.842 4.66222 123.745 4.66288 -55.9492 GPRESSURE: 1311600 -211.608 -89.2463 87.2211 -19.2128 -116.237 53.5123 87.7449 8.51862 -47.4945 PRESSAVG: 1311600 -26.9508 -33.5854 -5.75233 -33.5854 24.7659 33.5191 -5.75242 33.5191 16.4233 GPRESSAVG: 1311600 -25.1525 -32.5669 -6.80029 -32.6784 24.7954 33.4602 -6.84779 35.4979 14.7238 TIMING: 1311600 CPU: 4094.56, 0.00312489/step Wall: 4094.56, 0.00312489/step, 3.20163 hours remaining, 234.511719 MB of memory in use. ENERGY: 1311600 4035.0559 20337.3183 14523.4302 240.7236 -203304.9337 2810.4851 0.0000 0.0000 51884.6004 -109473.3202 298.1815 -161357.9206 -109101.8047 298.7553 -156.5909 -125.1129 762720.8847 4.7461 4.7889 PRESSURE: 1311800 -87.3873 87.4097 -109.458 87.4091 122.502 185.868 -109.458 185.868 -57.5194 GPRESSURE: 1311800 -43.1182 15.7021 -96.1169 -33.734 91.4883 139.453 -169.515 248.073 17.8979 PRESSAVG: 1311800 -37.0252 -9.47295 39.0029 -9.473 31.0004 -15.4027 39.0029 -15.4027 -4.13966 GPRESSAVG: 1311800 -38.0845 -9.17663 40.6383 -9.77846 30.4044 -18.176 38.9181 -14.3875 -2.80669 TIMING: 1311800 CPU: 4095.18, 0.00313558/step Wall: 4095.18, 0.00313558/step, 3.2124 hours remaining, 234.511719 MB of memory in use. ENERGY: 1311800 3947.9848 20553.8215 14440.3963 253.9951 -203348.5866 2832.8710 0.0000 0.0000 51812.3452 -109507.1728 297.7663 -161319.5179 -109140.3617 298.3205 -7.4681 22.0893 762443.1041 -3.3882 -3.4956 PRESSURE: 1312000 78.211 -97.3308 45.0074 -97.331 324.344 -73.2852 45.008 -73.2852 35.1773 GPRESSURE: 1312000 148.602 -37.8335 22.583 -74.4343 383.601 -91.6484 88.9389 -195.63 -20.2539 PRESSAVG: 1312000 -18.844 14.4642 3.57424 14.4642 28.6552 27.4678 3.57424 27.4677 -0.203075 GPRESSAVG: 1312000 -19.4249 13.1849 4.30025 14.8159 29.4255 29.7426 1.75725 25.087 -0.664041 TIMING: 1312000 CPU: 4095.81, 0.00313096/step Wall: 4095.81, 0.00313096/step, 3.2075 hours remaining, 234.511719 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: 1312000 4024.2525 20402.8933 14499.2576 229.0704 -203048.2932 2714.4721 0.0000 0.0000 51835.5028 -109342.8445 297.8993 -161178.3473 -108992.3901 298.5308 145.9107 170.6499 762334.2578 3.2027 3.1122 PRESSURE: 1312200 139.02 -8.00843 237.584 -8.00794 223.29 -1.94528 237.584 -1.94507 2.92418 GPRESSURE: 1312200 163.476 156.953 235.845 -40.6887 243.943 -113.594 233.749 56.4291 56.769 PRESSAVG: 1312200 -9.10069 31.5871 21.1149 31.5871 44.1764 -53.7012 21.1149 -53.7012 0.410167 GPRESSAVG: 1312200 -8.27942 32.4083 19.3285 31.7571 43.5348 -53.9931 23.4214 -54.9888 0.284387 TIMING: 1312200 CPU: 4096.43, 0.00311939/step Wall: 4096.43, 0.00311939/step, 3.19547 hours remaining, 234.511719 MB of memory in use. ENERGY: 1312200 3875.4695 20420.8207 14531.2912 248.4852 -203271.9235 2799.0214 0.0000 0.0000 52155.0575 -109241.7779 299.7358 -161396.8355 -108879.8537 298.6549 121.7445 154.7294 761477.0317 11.8286 11.8466 LDB: ============= START OF LOAD BALANCING ============== 4108.91 LDB: ============== END OF LOAD BALANCING =============== 4108.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4108.92 LDB: ============= START OF LOAD BALANCING ============== 4109.23 LDB: Largest compute 7010 load 0.029386 is 15.1% of average load 0.195101 LDB: Average compute 0.004384 is 2.2% of average load 0.195101 LDB: TIME 4109.23 LOAD: AVG 0.195101 MAX 0.213872 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 232.957 MB LDB: TIME 4109.23 LOAD: AVG 0.195101 MAX 0.213872 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.957 MB LDB: TIME 4109.23 LOAD: AVG 0.195101 MAX 0.213872 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.957 MB LDB: ============== END OF LOAD BALANCING =============== 4109.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4109.24 PRESSURE: 1312400 -306.467 176.442 -110.634 176.441 325.495 33.3944 -110.634 33.3945 50.2728 GPRESSURE: 1312400 -304.162 135.894 -132.371 255.301 370.192 87.1799 -113.046 41.8385 82.9775 PRESSAVG: 1312400 -33.2635 87.4225 65.2069 87.4226 53.1145 -79.9689 65.207 -79.9688 14.2182 GPRESSAVG: 1312400 -33.5744 86.8458 65.1224 86.2962 53.3138 -80.2089 63.579 -77.5316 14.3407 TIMING: 1312400 CPU: 4097.07, 0.00320565/step Wall: 4097.07, 0.00320565/step, 3.28365 hours remaining, 234.953125 MB of memory in use. ENERGY: 1312400 3971.0416 20437.5128 14516.9407 248.3558 -202797.3415 2416.9179 0.0000 0.0000 51996.7849 -109209.7877 298.8262 -161206.5727 -108838.6693 298.3579 23.1004 49.6692 761981.4577 11.3564 11.3600 PRESSURE: 1312600 394.481 17.7187 97.2266 17.7182 85.8237 -190.534 97.2267 -190.535 372.852 GPRESSURE: 1312600 410.139 117.718 -27.7951 31.5779 83.3435 -52.4495 196.737 -253.528 435.881 PRESSAVG: 1312600 -63.176 -3.7732 12.8023 -3.77316 52.6329 -13.502 12.8023 -13.502 -12.3767 GPRESSAVG: 1312600 -62.7616 -3.57 13.4161 -1.16995 51.947 -13.5507 14.6107 -13.4386 -11.9142 TIMING: 1312600 CPU: 4097.7, 0.00313216/step Wall: 4097.7, 0.00313216/step, 3.20821 hours remaining, 235.156250 MB of memory in use. ENERGY: 1312600 3929.2113 20533.8580 14465.0848 255.5355 -203737.9550 3062.6319 0.0000 0.0000 52016.5014 -109475.1321 298.9395 -161491.6335 -109116.2472 298.3816 284.3853 309.7877 761267.5793 -7.6400 -7.5763 PRESSURE: 1312800 208.081 84.7512 -65.8871 84.7505 -85.1916 6.57941 -65.8871 6.57875 238.04 GPRESSURE: 1312800 272.598 46.0778 -35.6063 104.699 -68.4593 139.946 -76.0525 42.2809 231.585 PRESSAVG: 1312800 -7.6601 -32.3033 -28.5595 -32.3032 12.2341 -35.7852 -28.5595 -35.7852 -13.1563 GPRESSAVG: 1312800 -8.99699 -30.3697 -29.4259 -33.747 13.839 -36.3165 -29.4731 -35.4238 -13.3386 TIMING: 1312800 CPU: 4098.33, 0.00312974/step Wall: 4098.33, 0.00312974/step, 3.20555 hours remaining, 235.156250 MB of memory in use. ENERGY: 1312800 4019.1845 20495.2449 14495.4182 250.8445 -203608.0993 3004.8419 0.0000 0.0000 51973.5679 -109368.9974 298.6928 -161342.5654 -109008.8210 298.4329 120.3096 145.2412 761807.5496 -2.8607 -2.8322 PRESSURE: 1313000 -177.563 -93.9596 -231.22 -93.9592 127.796 -261.724 -231.219 -261.724 -83.5788 GPRESSURE: 1313000 -89.4872 -41.6333 -214.57 -153.876 78.3238 -217.674 -179.7 -90.9556 -13.754 PRESSAVG: 1313000 22.9194 12.5632 -19.1214 12.5632 -26.8481 -1.89072 -19.1214 -1.89064 -12.8729 GPRESSAVG: 1313000 24.2565 10.1336 -17.6702 11.8998 -28.1007 -2.00241 -17.882 -2.1702 -12.5129 TIMING: 1313000 CPU: 4098.95, 0.00313845/step Wall: 4098.95, 0.00313845/step, 3.2143 hours remaining, 235.156250 MB of memory in use. ENERGY: 1313000 3934.6639 20432.8718 14513.2931 257.8101 -203033.3179 2521.7516 0.0000 0.0000 51911.6708 -109461.2566 298.3371 -161372.9274 -109106.3708 298.5244 -44.4486 -8.3058 761981.7320 -5.6005 -5.4523 PRESSURE: 1313200 -1.00835 29.6756 -10.6501 29.6754 -219.586 -94.7963 -10.6509 -94.7955 50.6369 GPRESSURE: 1313200 13.4716 56.3852 10.7974 102.258 -201.5 -101.722 -179.529 -121.031 95.327 PRESSAVG: 1313200 51.3491 -61.6861 -5.72873 -61.6861 -17.619 -30.574 -5.72876 -30.574 -4.71408 GPRESSAVG: 1313200 51.1194 -59.8709 -6.49033 -63.8762 -18.3626 -28.8548 -5.86644 -33.1439 -3.47794 TIMING: 1313200 CPU: 4099.58, 0.00311797/step Wall: 4099.58, 0.00311797/step, 3.19314 hours remaining, 235.156250 MB of memory in use. ENERGY: 1313200 4010.1378 20267.9157 14513.8411 244.9332 -203111.6855 2581.5611 0.0000 0.0000 52137.3117 -109355.9849 299.6338 -161493.2966 -108981.9646 299.3929 -56.6525 -30.9003 762336.8220 9.6720 9.7596 PRESSURE: 1313400 80.7659 -28.4185 -75.7426 -28.4177 -146.753 6.26081 -75.7433 6.26136 -109.353 GPRESSURE: 1313400 91.1583 -24.2346 19.572 56.0242 -62.1256 -146.278 65.5556 -59.5366 -141.585 PRESSAVG: 1313400 28.7103 -2.37851 2.46933 -2.3785 -39.575 18.4696 2.46936 18.4696 10.3612 GPRESSAVG: 1313400 27.5873 -3.52061 1.29132 0.317323 -36.7179 16.2983 2.25652 19.6208 9.03382 TIMING: 1313400 CPU: 4100.2, 0.00311849/step Wall: 4100.2, 0.00311849/step, 3.1935 hours remaining, 235.156250 MB of memory in use. ENERGY: 1313400 4071.8893 20521.7347 14452.0606 253.3715 -203527.6947 2901.2230 0.0000 0.0000 51924.7520 -109402.6636 298.4123 -161327.4156 -109037.3766 298.9483 -58.4467 -37.5175 762686.4477 -0.1679 -0.0323 PRESSURE: 1313600 7.05944 127.085 93.9279 127.083 119.54 69.69 93.9271 69.6885 -409.835 GPRESSURE: 1313600 51.6798 190.994 35.5983 24.0054 62.84 -9.88423 49.0948 129.831 -296.843 PRESSAVG: 1313600 65.4866 -27.2438 33.8029 -27.2439 -78.8459 29.5485 33.8029 29.5484 16.4636 GPRESSAVG: 1313600 65.2695 -25.7205 34.479 -27.6388 -79.8637 29.5807 32.7733 31.1377 17.468 TIMING: 1313600 CPU: 4100.83, 0.00313605/step Wall: 4100.83, 0.00313605/step, 3.21132 hours remaining, 235.156250 MB of memory in use. ENERGY: 1313600 3950.0724 20593.6007 14468.6683 247.7182 -203541.1512 2833.9677 0.0000 0.0000 51805.5596 -109641.5644 297.7273 -161447.1239 -109285.1235 298.5596 -94.4118 -60.7745 761952.8007 1.0348 0.9580 PRESSURE: 1313800 -124.585 96.0509 -311.029 96.0505 -222.791 -0.503619 -311.028 -0.504104 -27.4584 GPRESSURE: 1313800 -103.855 153.837 -273.939 -30.4941 -237.636 106.331 -260.269 -33.8892 58.5699 PRESSAVG: 1313800 78.9131 -40.9036 -9.75505 -40.9037 -63.9976 15.1344 -9.75506 15.1344 7.3349 GPRESSAVG: 1313800 80.2233 -42.0103 -8.5797 -42.552 -65.4124 15.7119 -7.75299 14.7615 7.20745 TIMING: 1313800 CPU: 4101.45, 0.00310999/step Wall: 4101.45, 0.00310999/step, 3.18446 hours remaining, 235.156250 MB of memory in use. ENERGY: 1313800 4024.7366 20502.5064 14411.7684 243.3779 -203330.7858 2564.1172 0.0000 0.0000 51714.0622 -109870.2170 297.2014 -161584.2792 -109507.1987 298.3197 -124.9448 -94.3070 761513.0634 7.4168 7.3395 PRESSURE: 1314000 -16.6839 -49.7423 -301.893 -49.7426 -187.453 24.3459 -301.894 24.3469 84.7547 GPRESSURE: 1314000 -17.4039 96.3844 -271.288 -144.012 -58.1645 41.6209 -282.081 37.9178 37.2444 PRESSAVG: 1314000 9.41982 -22.8817 -46.4007 -22.8816 21.0655 15.2339 -46.4006 15.2339 -13.0108 GPRESSAVG: 1314000 9.57091 -22.1626 -47.293 -22.3895 21.4105 14.0331 -46.3497 14.4346 -13.5598 TIMING: 1314000 CPU: 4102.07, 0.0031199/step Wall: 4102.07, 0.0031199/step, 3.19444 hours remaining, 235.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1314000 3965.9234 20449.0555 14354.0090 258.0239 -203663.5230 2697.2047 0.0000 0.0000 52161.9559 -109777.3505 299.7755 -161939.3064 -109408.5341 298.0660 -39.7940 -12.7746 761158.5966 5.8248 5.8072 PRESSURE: 1314200 398.897 -163.586 -128.298 -163.585 40.0065 29.9738 -128.299 29.9747 35.4522 GPRESSURE: 1314200 333.563 -132.619 -45.0939 -294.017 150.912 60.4074 -187.769 36.9701 63.7749 PRESSAVG: 1314200 -25.7085 -30.4377 -98.4299 -30.4378 -8.40696 26.0697 -98.4299 26.0698 13.9236 GPRESSAVG: 1314200 -26.7947 -30.7452 -100.416 -30.2191 -7.71932 28.2491 -96.2886 26.8002 14.6207 TIMING: 1314200 CPU: 4102.7, 0.00312211/step Wall: 4102.7, 0.00312211/step, 3.19652 hours remaining, 235.156250 MB of memory in use. ENERGY: 1314200 3950.4774 20600.2572 14383.0656 262.5580 -203548.2481 2941.9705 0.0000 0.0000 51930.2681 -109479.6512 298.4440 -161409.9193 -109126.3289 298.8216 158.1185 182.7497 762220.4808 -6.7306 -6.6311 PRESSURE: 1314400 -141.753 -137.821 106.084 -137.822 -21.5224 3.3427 106.085 3.34304 224.699 GPRESSURE: 1314400 -89.9978 -147.613 136.151 -253.713 -47.3023 19.1959 167.697 19.5575 284.194 PRESSAVG: 1314400 35.9749 -42.3162 -32.018 -42.3162 -67.5272 1.33367 -32.018 1.33359 -7.58153 GPRESSAVG: 1314400 35.8018 -42.8746 -30.0566 -42.6766 -67.1638 -0.176906 -32.7295 1.08786 -7.86248 TIMING: 1314400 CPU: 4103.32, 0.00310908/step Wall: 4103.32, 0.00310908/step, 3.18301 hours remaining, 235.156250 MB of memory in use. ENERGY: 1314400 3933.7528 20708.0441 14396.1382 235.2177 -203439.8399 2847.3821 0.0000 0.0000 51802.5127 -109516.7922 297.7098 -161319.3049 -109152.2461 298.9682 20.4745 48.9645 763798.0101 -13.0446 -13.0748 PRESSURE: 1314600 -156.438 103.017 54.2577 103.017 -74.0004 243.557 54.2577 243.557 109.882 GPRESSURE: 1314600 -152.034 69.5732 -5.59704 166.999 -18.4723 289.512 -20.3749 137.899 147.205 PRESSAVG: 1314600 -12.4142 -57.2625 6.66283 -57.2625 8.39794 -18.6527 6.66289 -18.6528 -2.65124 GPRESSAVG: 1314600 -11.0304 -59.1777 7.85117 -58.6628 8.45473 -18.6734 3.07169 -19.7943 -4.02125 TIMING: 1314600 CPU: 4103.95, 0.00313621/step Wall: 4103.95, 0.00313621/step, 3.21061 hours remaining, 235.156250 MB of memory in use. ENERGY: 1314600 3965.0567 20549.7620 14514.1032 255.1008 -203291.8930 2828.8030 0.0000 0.0000 51803.0445 -109376.0228 297.7128 -161179.0673 -109005.7640 298.7523 -40.1855 -7.7672 763601.9412 -2.2225 -2.1990 PRESSURE: 1314800 -49.7571 -95.1501 -24.9403 -95.1498 -326.41 -176.297 -24.9407 -176.297 10.0697 GPRESSURE: 1314800 -97.587 -96.5211 2.43665 -113.046 -296.625 -216.641 66.4083 -165.311 105.858 PRESSAVG: 1314800 -43.2325 -42.5343 -14.2086 -42.5342 45.277 -13.7141 -14.2085 -13.7141 10.2626 GPRESSAVG: 1314800 -43.7281 -42.4167 -15.6193 -40.8159 44.5507 -14.3109 -13.1683 -13.5948 11.9227 TIMING: 1314800 CPU: 4104.58, 0.00315009/step Wall: 4104.58, 0.00315009/step, 3.22465 hours remaining, 235.156250 MB of memory in use. ENERGY: 1314800 3981.2430 20510.9496 14419.4255 244.4787 -203502.8885 2898.9124 0.0000 0.0000 51950.4139 -109497.4655 298.5597 -161447.8794 -109118.3242 298.5212 -122.0324 -96.1183 763980.4230 4.1024 4.2484 PRESSURE: 1315000 -150.189 -50.8824 252.874 -50.8826 395.354 52.9259 252.873 52.9256 256.39 GPRESSURE: 1315000 -142.38 -71.4401 250.647 -84.349 405.007 -77.9556 285.688 162.507 306.389 PRESSAVG: 1315000 -52.0188 20.3653 -21.3978 20.3654 6.09655 10.9006 -21.3977 10.9006 -5.26505 GPRESSAVG: 1315000 -52.1637 21.0886 -20.236 20.8572 6.35476 9.74212 -20.4892 14.1432 -5.39459 TIMING: 1315000 CPU: 4105.21, 0.00314275/step Wall: 4105.21, 0.00314275/step, 3.21696 hours remaining, 235.156250 MB of memory in use. ENERGY: 1315000 3963.2024 20570.1315 14458.7558 234.1539 -203183.9776 2718.8033 0.0000 0.0000 51716.1283 -109522.8023 297.2133 -161238.9306 -109168.3796 298.6222 167.1849 189.6722 764832.5855 -17.0624 -17.0678 PRESSURE: 1315200 -14.9862 -11.1571 -33.6043 -11.1568 42.7486 -38.2182 -33.6031 -38.2184 -391.843 GPRESSURE: 1315200 -20.3378 23.9013 -105.788 -50.8795 92.0354 6.15049 30.7791 -2.60709 -343.661 PRESSAVG: 1315200 -11.871 13.1369 -61.5466 13.1369 39.1966 -25.6524 -61.5466 -25.6523 0.213079 GPRESSAVG: 1315200 -12.3108 13.3339 -62.4996 12.8724 39.7827 -22.8207 -60.6914 -25.7588 0.432363 TIMING: 1315200 CPU: 4105.83, 0.00312548/step Wall: 4105.83, 0.00312548/step, 3.1991 hours remaining, 235.156250 MB of memory in use. ENERGY: 1315200 3935.8718 20584.8585 14560.1226 244.2282 -203551.6018 2710.6510 0.0000 0.0000 51722.5743 -109793.2952 297.2503 -161515.8695 -109430.0452 298.3491 -121.3602 -90.6543 763358.6367 9.1796 9.3014 PRESSURE: 1315400 6.12601 3.07136 -5.50438 3.07095 422.649 -151.044 -5.5039 -151.045 144.608 GPRESSURE: 1315400 92.235 19.9882 -63.3303 -54.8189 461.136 -94.9371 -88.4481 -316.861 96.9257 PRESSAVG: 1315400 -29.4806 6.69849 -26.1001 6.69846 30.8236 -63.7319 -26.1001 -63.7319 -6.77559 GPRESSAVG: 1315400 -28.5899 8.09304 -25.5366 5.8733 31.3994 -63.9108 -26.4764 -65.97 -7.59493 TIMING: 1315400 CPU: 4106.46, 0.00314071/step Wall: 4106.46, 0.00314071/step, 3.21452 hours remaining, 235.156250 MB of memory in use. ENERGY: 1315400 3953.3094 20607.6698 14475.0494 245.6334 -203494.5211 2820.2267 0.0000 0.0000 51794.4508 -109598.1817 297.6634 -161392.6325 -109247.1142 298.1355 191.1277 216.7654 762753.3161 -1.8109 -1.5952 PRESSURE: 1315600 -47.0518 -105.177 -44.9436 -105.178 -80.1639 -99.4677 -44.9447 -99.4676 210.829 GPRESSURE: 1315600 -0.489648 29.4537 -96.647 -19.6989 73.1844 -43.1518 44.8418 48.3426 92.3545 PRESSAVG: 1315600 -48.1473 0.257945 -21.1535 0.257988 73.3345 -8.41779 -21.1535 -8.41776 -1.60573 GPRESSAVG: 1315600 -49.0975 0.0671829 -22.9571 2.10616 73.7221 -8.57839 -20.231 -5.75472 -1.35755 TIMING: 1315600 CPU: 4107.09, 0.00315083/step Wall: 4107.09, 0.00315083/step, 3.2247 hours remaining, 235.156250 MB of memory in use. ENERGY: 1315600 3970.1994 20717.7726 14524.2771 257.0567 -203607.0279 2720.2271 0.0000 0.0000 52074.1198 -109343.3752 299.2707 -161417.4950 -108986.1243 298.6896 27.8710 55.0164 761289.7497 7.8605 7.7557 PRESSURE: 1315800 -235.653 -178.51 138.018 -178.509 159.624 -21.6513 138.019 -21.6522 -13.2832 GPRESSURE: 1315800 -255.098 -23.42 109.996 -180.902 219.699 -28.3578 135.019 36.1147 15.2581 PRESSAVG: 1315800 -66.6623 33.8444 -63.1199 33.8444 15.3306 -35.1982 -63.1198 -35.1982 -20.9566 GPRESSAVG: 1315800 -66.7707 33.5195 -62.8841 30.8694 15.103 -33.895 -64.6577 -36.8632 -20.5104 TIMING: 1315800 CPU: 4107.72, 0.00314148/step Wall: 4107.72, 0.00314148/step, 3.21496 hours remaining, 235.156250 MB of memory in use. ENERGY: 1315800 4067.5107 20383.9866 14502.3610 224.4951 -203076.5737 2471.3550 0.0000 0.0000 52153.6130 -109273.2523 299.7275 -161426.8653 -108919.0896 299.1581 -29.7708 -6.7134 761750.8107 -24.0961 -24.0594 PRESSURE: 1316000 -96.6253 18.5517 26.0792 18.5518 -255.906 41.6833 26.0793 41.6832 -226.09 GPRESSURE: 1316000 -96.3202 19.2007 63.9206 43.0459 -127.295 68.4992 9.86891 -59.6078 -276.933 PRESSAVG: 1316000 -51.7202 30.661 -24.2641 30.661 72.4925 -64.0099 -24.2641 -64.01 19.5443 GPRESSAVG: 1316000 -51.3402 29.6103 -22.2296 32.9235 73.556 -64.847 -25.126 -65.3154 18.2942 TIMING: 1316000 CPU: 4108.34, 0.00313028/step Wall: 4108.34, 0.00313028/step, 3.20332 hours remaining, 235.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1316000 4087.6153 20711.6202 14389.8552 255.7316 -203471.5486 2846.9206 0.0000 0.0000 51966.2355 -109213.5701 298.6507 -161179.8057 -108857.5429 299.5399 -192.8738 -166.8493 763383.6235 13.4389 13.5033 PRESSURE: 1316200 -76.5787 -25.5528 103.163 -25.5528 -73.8897 -238.02 103.163 -238.021 -316.334 GPRESSURE: 1316200 -50.1418 37.4048 43.2745 41.5365 -26.5975 -182.022 93.2319 -214.213 -302.817 PRESSAVG: 1316200 -11.9408 29.0067 -38.0302 29.0067 -17.1201 -24.6042 -38.0302 -24.6042 -8.72433 GPRESSAVG: 1316200 -10.9461 29.7706 -39.4309 28.7868 -18.3621 -22.9837 -37.5115 -22.5545 -8.17782 TIMING: 1316200 CPU: 4108.97, 0.00312872/step Wall: 4108.97, 0.00312872/step, 3.20155 hours remaining, 235.156250 MB of memory in use. ENERGY: 1316200 4061.3312 20468.9065 14448.3917 247.7656 -203380.0112 2666.2383 0.0000 0.0000 51995.5303 -109491.8477 298.8190 -161487.3780 -109132.1340 299.0467 -155.6009 -126.5188 763201.5005 -12.5951 -12.4953 LDB: ============= START OF LOAD BALANCING ============== 4121.45 LDB: ============== END OF LOAD BALANCING =============== 4121.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4121.45 LDB: ============= START OF LOAD BALANCING ============== 4121.77 LDB: Largest compute 6984 load 0.030257 is 15.5% of average load 0.195096 LDB: Average compute 0.004366 is 2.2% of average load 0.195096 LDB: TIME 4121.77 LOAD: AVG 0.195096 MAX 0.212955 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.742 MB LDB: TIME 4121.77 LOAD: AVG 0.195096 MAX 0.212955 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.746 MB LDB: TIME 4121.77 LOAD: AVG 0.195096 MAX 0.212955 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.746 MB LDB: ============== END OF LOAD BALANCING =============== 4121.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4121.78 PRESSURE: 1316400 153.629 103.54 -122.773 103.54 21.031 -41.7046 -122.773 -41.7042 -115.578 GPRESSURE: 1316400 132.816 58.1114 -116.293 150.701 103.218 -44.504 -126.298 2.03347 -92.4664 PRESSAVG: 1316400 10.1551 17.915 23.5677 17.9149 20.6597 -12.1807 23.5677 -12.1807 22.2575 GPRESSAVG: 1316400 9.68195 17.3262 23.3105 18.2858 21.5459 -12.1341 24.7422 -14.8786 21.8797 TIMING: 1316400 CPU: 4109.61, 0.00321808/step Wall: 4109.61, 0.00321808/step, 3.29281 hours remaining, 234.253906 MB of memory in use. ENERGY: 1316400 3998.2244 20608.1190 14409.7690 236.5005 -203728.3999 2901.6670 0.0000 0.0000 52022.5783 -109551.5417 298.9745 -161574.1200 -109183.6284 298.6344 19.6939 47.8558 761116.0407 17.6908 17.7025 PRESSURE: 1316600 -10.1692 241.476 293.518 241.476 49.5297 29.7872 293.518 29.7864 -108.404 GPRESSURE: 1316600 -118.058 167.312 260.646 192.079 75.1919 -78.643 257.879 13.9409 39.0452 PRESSAVG: 1316600 -62.0721 30.9832 20.6234 30.9832 41.1898 -71.1516 20.6233 -71.1516 -11.3639 GPRESSAVG: 1316600 -62.2302 31.5528 20.7166 29.0672 40.7552 -71.7648 22.1302 -67.8616 -11.2994 TIMING: 1316600 CPU: 4110.24, 0.00314355/step Wall: 4110.24, 0.00314355/step, 3.21637 hours remaining, 234.253906 MB of memory in use. ENERGY: 1316600 4044.2518 20667.7922 14464.9937 255.8268 -203770.0589 2829.8405 0.0000 0.0000 52057.7779 -109449.5760 299.1768 -161507.3539 -109084.0207 298.7201 -23.0144 -1.2735 762319.1629 -10.7487 -10.9248 PRESSURE: 1316800 102.822 63.638 -49.5491 63.6376 338.966 -192.303 -49.5495 -192.303 -77.1173 GPRESSURE: 1316800 167.631 33.3903 65.0398 82.7027 319.846 -288.931 -51.8904 -206.574 -75.3939 PRESSAVG: 1316800 10.7548 51.4768 27.7492 51.4769 11.5461 -30.7876 27.7493 -30.7877 2.74735 GPRESSAVG: 1316800 9.81298 51.9963 29.1811 52.5575 12.0711 -33.0306 27.3298 -32.3437 2.81251 TIMING: 1316800 CPU: 4110.87, 0.00315489/step Wall: 4110.87, 0.00315489/step, 3.2278 hours remaining, 234.253906 MB of memory in use. ENERGY: 1316800 3950.7397 20707.7406 14415.0223 243.0087 -203992.4836 2965.2257 0.0000 0.0000 52288.5775 -109422.1690 300.5032 -161710.7465 -109063.0382 299.3458 121.5566 137.3610 761101.5005 8.3494 8.2322 PRESSURE: 1317000 -153.719 187.495 73.9692 187.493 -82.9028 -35.0895 73.9676 -35.0908 -22.7234 GPRESSURE: 1317000 -91.1233 154.419 151.511 169.542 -83.2001 -155.105 27.5726 5.35446 -13.0199 PRESSAVG: 1317000 -27.748 41.202 56.0506 41.2021 36.0198 -34.3859 56.0507 -34.3859 13.0008 GPRESSAVG: 1317000 -26.0843 40.2662 54.7399 40.6351 34.8222 -33.5294 54.3945 -33.6075 13.078 TIMING: 1317000 CPU: 4111.5, 0.00314286/step Wall: 4111.5, 0.00314286/step, 3.21532 hours remaining, 234.253906 MB of memory in use. ENERGY: 1317000 3961.1049 20534.0006 14524.9707 246.1170 -203706.3228 2889.5354 0.0000 0.0000 52239.1922 -109311.4020 300.2194 -161550.5942 -108946.0716 299.5930 -86.4483 -62.4477 761611.7712 7.0908 7.2720 PRESSURE: 1317200 -322.125 -13.9831 49.7029 -13.9836 -219.105 23.0406 49.7035 23.0402 -84.2137 GPRESSURE: 1317200 -219.038 -93.8871 111.287 -111.563 -216.234 19.6294 -73.734 -71.1606 -98.5898 PRESSAVG: 1317200 24.1362 -25.1845 -30.5725 -25.1845 -58.9111 -17.848 -30.5726 -17.8479 -8.9064 GPRESSAVG: 1317200 25.004 -25.6257 -30.3945 -24.1816 -60.278 -17.1509 -28.7155 -16.5974 -8.58421 TIMING: 1317200 CPU: 4112.13, 0.00312087/step Wall: 4112.13, 0.00312087/step, 3.19265 hours remaining, 234.253906 MB of memory in use. ENERGY: 1317200 4021.0070 20639.4888 14533.1749 252.3517 -203199.3147 2413.9904 0.0000 0.0000 52177.3632 -109161.9387 299.8640 -161339.3019 -108792.8994 299.2630 -208.4811 -177.9536 762171.7897 -14.5604 -14.6194 PRESSURE: 1317400 -123.197 -141.319 25.6178 -141.321 9.02663 -203.888 25.6171 -203.887 408.055 GPRESSURE: 1317400 -20.8698 -11.3368 124.236 -90.7489 50.0827 -109.318 -161.867 -214.731 358.807 PRESSAVG: 1317400 14.9624 -46.5261 11.2942 -46.5261 17.1727 -8.4936 11.2942 -8.49367 -6.79631 GPRESSAVG: 1317400 14.972 -46.417 12.1872 -47.5203 17.7123 -6.94274 8.69318 -11.007 -6.93949 TIMING: 1317400 CPU: 4112.75, 0.0031381/step Wall: 4112.75, 0.0031381/step, 3.21011 hours remaining, 234.253906 MB of memory in use. ENERGY: 1317400 3950.8988 20417.0897 14486.6918 268.2316 -203454.9860 2912.0499 0.0000 0.0000 52195.9604 -109224.0637 299.9709 -161420.0241 -108851.3141 299.4457 97.9615 129.3399 762936.4947 8.4463 8.5816 PRESSURE: 1317600 -342.481 176.18 -3.33242 176.18 -135.272 -31.1836 -3.33257 -31.1827 64.6322 GPRESSURE: 1317600 -281.261 22.9278 15.6241 116.565 -118.307 -86.1663 19.8899 11.5339 70.6841 PRESSAVG: 1317600 14.8502 -20.2023 70.2032 -20.2023 29.7755 5.14491 70.2032 5.14492 2.839 GPRESSAVG: 1317600 13.1828 -20.3279 70.3985 -21.9932 31.472 4.71374 72.0648 4.81058 2.79942 TIMING: 1317600 CPU: 4113.38, 0.0031424/step Wall: 4113.38, 0.0031424/step, 3.21432 hours remaining, 234.253906 MB of memory in use. ENERGY: 1317600 4020.1956 20684.0684 14383.6153 236.6425 -202916.9505 2398.1819 0.0000 0.0000 51836.5416 -109357.7051 297.9053 -161194.2467 -109014.7177 299.0924 -137.7069 -109.6282 763467.7228 15.8216 15.8181 PRESSURE: 1317800 57.0264 -9.8896 14.3868 -9.88911 -154.728 -248.321 14.3878 -248.32 -172.664 GPRESSURE: 1317800 77.1863 30.4314 -80.5991 -2.54872 -127.286 -139.003 7.01568 -203.842 -153.101 PRESSAVG: 1317800 23.8465 22.7106 14.9687 22.7107 -51.4763 -3.73219 14.9687 -3.73218 -12.4452 GPRESSAVG: 1317800 23.8203 23.1699 13.7173 24.8686 -51.132 -4.39941 14.7274 -1.14783 -12.352 TIMING: 1317800 CPU: 4114.01, 0.00313552/step Wall: 4114.01, 0.00313552/step, 3.20711 hours remaining, 234.253906 MB of memory in use. ENERGY: 1317800 3945.2753 20870.7069 14406.1787 234.3009 -203209.9587 2671.1642 0.0000 0.0000 51941.9761 -109140.3565 298.5113 -161082.3327 -108784.3842 299.5290 -90.1219 -67.7337 763867.3916 -13.3583 -13.2212 PRESSURE: 1318000 241.924 85.2249 -4.12188 85.224 307.036 63.8523 -4.12228 63.8508 -48.5236 GPRESSURE: 1318000 265.811 197.163 -49.5784 105.961 280.934 30.2196 -3.97286 22.8567 24.7276 PRESSAVG: 1318000 -15.8073 -8.58942 -22.4457 -8.58936 36.3889 18.8608 -22.4456 18.8608 14.691 GPRESSAVG: 1318000 -15.43 -10.2045 -23.3988 -7.5073 36.3006 19.7073 -21.6922 15.7064 14.0921 TIMING: 1318000 CPU: 4114.64, 0.00313081/step Wall: 4114.64, 0.00313081/step, 3.20213 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1318000 3960.0859 20620.9376 14304.9106 233.4864 -203806.5207 3204.6298 0.0000 0.0000 52035.3129 -109447.1576 299.0477 -161482.4704 -109076.0275 299.1752 166.8120 190.4910 763565.4053 11.7576 11.6543 PRESSURE: 1318200 -205.972 -25.1926 2.52146 -25.1934 -194.147 232.948 2.52074 232.948 130.836 GPRESSURE: 1318200 -171.123 1.45682 76.9693 -77.7363 -124.681 224.311 -75.9855 181.128 74.9195 PRESSAVG: 1318200 -39.2697 5.04539 -7.44263 5.04546 -39.4285 -5.67487 -7.44264 -5.67494 13.8899 GPRESSAVG: 1318200 -39.6568 7.87304 -5.36542 2.6207 -38.2315 -6.95407 -7.13869 -5.74493 13.6778 TIMING: 1318200 CPU: 4115.26, 0.00313396/step Wall: 4115.26, 0.00313396/step, 3.20517 hours remaining, 234.253906 MB of memory in use. ENERGY: 1318200 3948.0117 20659.0321 14449.4699 251.5651 -203763.1543 2977.1681 0.0000 0.0000 52027.2903 -109450.6170 299.0016 -161477.9073 -109089.8012 298.7803 -89.7608 -73.6281 762980.7939 -21.6028 -21.4035 PRESSURE: 1318400 43.0706 -34.6559 241.937 -34.6555 29.2358 107.639 241.936 107.638 -13.1321 GPRESSURE: 1318400 202.902 7.8961 226.011 40.0057 -21.4762 132.832 15.1062 159.321 -57.5522 PRESSAVG: 1318400 -50.1846 18.0048 -38.8775 18.0048 18.2379 -2.5213 -38.8775 -2.52129 1.87593 GPRESSAVG: 1318400 -48.3216 15.7295 -39.4054 21.0564 14.8187 -1.81484 -39.9836 -1.68652 3.11725 TIMING: 1318400 CPU: 4115.89, 0.00312858/step Wall: 4115.89, 0.00312858/step, 3.19949 hours remaining, 234.253906 MB of memory in use. ENERGY: 1318400 4034.5809 20625.0498 14436.0835 254.9632 -203696.8456 2786.3809 0.0000 0.0000 51998.4774 -109561.3097 298.8360 -161559.7871 -109189.9991 299.2094 19.7248 41.2912 763086.7034 -10.0236 -10.1285 PRESSURE: 1318600 88.8494 -181.279 68.9687 -181.28 -61.3024 19.7006 68.9686 19.6994 229.564 GPRESSURE: 1318600 108.978 -190.207 104.646 -146.124 -43.3555 -12.3079 43.902 132.844 272.297 PRESSAVG: 1318600 -96.9972 -10.1509 -12.2664 -10.1509 63.7923 3.82511 -12.2663 3.82506 18.2242 GPRESSAVG: 1318600 -98.9327 -9.84044 -12.5777 -11.0616 65.8161 4.29161 -13.0093 3.83697 17.9297 TIMING: 1318600 CPU: 4116.51, 0.00312975/step Wall: 4116.51, 0.00312975/step, 3.20052 hours remaining, 234.253906 MB of memory in use. ENERGY: 1318600 4007.2627 20781.5389 14414.1805 261.6769 -203401.1380 2772.3503 0.0000 0.0000 51598.0022 -109566.1263 296.5344 -161164.1285 -109211.8065 298.7533 85.7038 112.6399 763165.8617 -4.9935 -5.0623 PRESSURE: 1318800 -16.2067 -105.211 -104.593 -105.212 -17.0855 -232.105 -104.592 -232.105 16.3895 GPRESSURE: 1318800 -83.9824 -30.9087 -62.6015 -108.349 100.771 -199.387 -28.1419 -109.291 59.9589 PRESSAVG: 1318800 -17.8045 -42.4579 16.174 -42.4579 -2.77548 -16.9298 16.174 -16.9298 -4.57735 GPRESSAVG: 1318800 -18.2911 -42.5232 17.3193 -44.5019 -2.63449 -18.3494 15.778 -15.5563 -4.42105 TIMING: 1318800 CPU: 4117.14, 0.00313464/step Wall: 4117.14, 0.00313464/step, 3.20534 hours remaining, 234.253906 MB of memory in use. ENERGY: 1318800 3998.8401 20588.5999 14375.1091 242.4533 -203517.6440 2848.1933 0.0000 0.0000 52112.6773 -109351.7711 299.4923 -161464.4484 -108985.9102 299.1881 -5.6342 25.5825 762333.6977 -8.3858 -8.4489 PRESSURE: 1319000 167.469 -205.96 174.937 -205.96 147.183 111.922 174.937 111.923 -191.124 GPRESSURE: 1319000 176.301 -263.942 183.904 -228.464 176.194 -10.2881 178.824 29.5377 -117.095 PRESSAVG: 1319000 3.87118 -32.9782 -0.725084 -32.9781 7.20501 16.8676 -0.725049 16.8677 26.0907 GPRESSAVG: 1319000 3.90814 -30.8348 0.116519 -33.3376 8.50865 17.1906 0.876986 14.5758 24.648 TIMING: 1319000 CPU: 4117.77, 0.00314733/step Wall: 4117.77, 0.00314733/step, 3.21814 hours remaining, 234.253906 MB of memory in use. ENERGY: 1319000 4052.2576 20497.2378 14423.7841 255.7843 -203293.3288 2740.7917 0.0000 0.0000 52079.6669 -109243.8065 299.3026 -161323.4733 -108879.7769 299.4504 41.1758 78.4668 761730.1232 12.3890 12.3549 PRESSURE: 1319200 70.0967 -59.5064 -180.108 -59.5052 426.437 -70.5118 -180.107 -70.5119 -44.4269 GPRESSURE: 1319200 98.5657 13.9391 -218.615 -8.92395 453.283 -93.4617 -202.066 -11.6653 -8.2424 PRESSAVG: 1319200 -78.2546 -69.2361 -23.2828 -69.2361 52.1578 9.56209 -23.2828 9.56212 -15.2449 GPRESSAVG: 1319200 -76.6899 -70.2569 -25.1355 -69.8233 49.8233 8.53547 -23.5581 10.8078 -15.2345 TIMING: 1319200 CPU: 4118.4, 0.0031406/step Wall: 4118.4, 0.0031406/step, 3.21109 hours remaining, 234.253906 MB of memory in use. ENERGY: 1319200 3894.8290 20635.0340 14484.3109 271.6208 -203510.3777 2980.7689 0.0000 0.0000 51929.2838 -109314.5303 298.4383 -161243.8141 -108952.9421 299.2718 150.7024 181.2019 760981.8235 -13.7805 -14.0337 PRESSURE: 1319400 -134.785 125.699 -18.5027 125.699 -188.897 -298.232 -18.5021 -298.233 317.578 GPRESSURE: 1319400 -36.4206 76.1647 -27.3771 120.175 -152.778 -240.56 2.574 -247.647 249.571 PRESSAVG: 1319400 11.1314 -23.5056 -54.171 -23.5055 -71.2378 30.0229 -54.1711 30.0229 2.16311 GPRESSAVG: 1319400 10.882 -24.3314 -54.5045 -20.8368 -70.9297 32.2357 -52.8866 29.5664 2.08537 TIMING: 1319400 CPU: 4119.03, 0.0031399/step Wall: 4119.03, 0.0031399/step, 3.2102 hours remaining, 234.253906 MB of memory in use. ENERGY: 1319400 3958.2744 20665.9413 14476.1267 256.4408 -203523.6307 2819.6095 0.0000 0.0000 51955.5626 -109391.6755 298.5893 -161347.2381 -109028.2797 298.9671 -2.0347 20.1244 761810.8423 -19.3144 -19.3208 PRESSURE: 1319600 -172.497 -164.761 -203.814 -164.76 -91.6082 95.3144 -203.814 95.3146 -155.662 GPRESSURE: 1319600 -147.781 -59.4511 -188.874 -164.427 -86.8517 6.39499 -136.293 -36.914 -91.7137 PRESSAVG: 1319600 36.6743 9.79894 10.2012 9.79885 -22.5308 7.96165 10.2012 7.96163 0.777579 GPRESSAVG: 1319600 35.9466 9.28399 11.3108 10.0406 -21.1625 6.22885 8.94814 9.36214 0.509514 TIMING: 1319600 CPU: 4119.65, 0.00311631/step Wall: 4119.65, 0.00311631/step, 3.18591 hours remaining, 234.253906 MB of memory in use. ENERGY: 1319600 3939.8955 20768.8926 14462.4912 267.6387 -203371.1275 2682.4281 0.0000 0.0000 51751.7538 -109498.0276 297.4180 -161249.7814 -109142.4562 298.7086 -139.9225 -108.7823 760630.1077 4.9737 5.0979 PRESSURE: 1319800 -17.5985 -72.1881 -82.0427 -72.189 -381.981 210.442 -82.044 210.441 27.9353 GPRESSURE: 1319800 -21.8583 -28.6052 -13.2208 5.51803 -265.122 223.289 19.2774 212.746 1.22635 PRESSAVG: 1319800 -9.8182 31.0315 20.7851 31.0315 -39.654 2.64795 20.7851 2.64795 2.42476 GPRESSAVG: 1319800 -10.487 33.1238 21.8901 29.0297 -40.7697 3.66563 20.5317 0.751891 3.7363 TIMING: 1319800 CPU: 4120.27, 0.00310912/step Wall: 4120.27, 0.00310912/step, 3.17838 hours remaining, 234.253906 MB of memory in use. ENERGY: 1319800 3948.4406 20545.9388 14434.6815 226.5100 -203340.1348 2751.7630 0.0000 0.0000 51688.5261 -109744.2749 297.0547 -161432.8009 -109384.7974 298.2930 -123.8816 -95.2514 760115.7142 -15.6825 -15.8401 PRESSURE: 1320000 -330.45 104.04 56.4955 104.04 -474.749 194.881 56.4953 194.881 -255.434 GPRESSURE: 1320000 -331.934 58.6098 65.0209 105.07 -402.861 260.846 -91.4487 128.626 -220.949 PRESSAVG: 1320000 23.8624 60.2267 8.376 60.2267 -40.874 -10.768 8.376 -10.7679 -20.4126 GPRESSAVG: 1320000 23.6818 59.626 6.5431 63.2323 -40.2828 -10.8248 7.56091 -11.2564 -20.9406 TIMING: 1320000 CPU: 4120.9, 0.00313763/step Wall: 4120.9, 0.00313763/step, 3.20736 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1320000 4008.9318 20511.7180 14448.0566 240.8031 -202914.3413 2161.6661 0.0000 0.0000 51731.6417 -109811.5239 297.3025 -161543.1656 -109447.8996 298.4165 -353.5443 -318.5811 761653.3198 -12.4748 -12.5139 PRESSURE: 1320200 -273.061 45.6939 249.766 45.6944 151.68 35.6263 249.766 35.6269 98.0675 GPRESSURE: 1320200 -197.748 25.3299 251.926 86.6954 167.561 6.16981 244.073 41.8453 90.726 PRESSAVG: 1320200 -27.814 2.47745 -12.0195 2.47749 -18.874 -14.0876 -12.0194 -14.0876 19.0172 GPRESSAVG: 1320200 -26.8629 1.35272 -13.0655 2.28211 -20.1538 -14.5196 -12.0605 -12.4224 19.4265 TIMING: 1320200 CPU: 4121.53, 0.00313844/step Wall: 4121.53, 0.00313844/step, 3.20801 hours remaining, 234.253906 MB of memory in use. ENERGY: 1320200 3950.5304 20678.9482 14368.8989 236.3869 -203523.8535 2595.4950 0.0000 0.0000 51890.7285 -109802.8655 298.2167 -161693.5941 -109443.1896 297.9468 -7.7711 20.1797 760308.1902 -9.2236 -9.1968 LDB: ============= START OF LOAD BALANCING ============== 4134.01 LDB: ============== END OF LOAD BALANCING =============== 4134.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4134.01 LDB: ============= START OF LOAD BALANCING ============== 4134.32 LDB: Largest compute 6984 load 0.030440 is 15.6% of average load 0.195224 LDB: Average compute 0.004352 is 2.2% of average load 0.195224 LDB: TIME 4134.33 LOAD: AVG 0.195224 MAX 0.213898 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.512 MB LDB: TIME 4134.33 LOAD: AVG 0.195224 MAX 0.213898 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.512 MB LDB: TIME 4134.33 LOAD: AVG 0.195224 MAX 0.213898 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.512 MB LDB: ============== END OF LOAD BALANCING =============== 4134.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4134.33 PRESSURE: 1320400 -144.805 -77.4616 -153.093 -77.4619 -128.963 61.7936 -153.093 61.7934 -27.3437 GPRESSURE: 1320400 -94.2611 -212.901 19.69 -16.7723 -101.653 38.8831 -168.214 128.685 -3.50212 PRESSAVG: 1320400 -2.15818 11.6365 6.5263 11.6365 -14.0458 -24.9656 6.52622 -24.9656 -14.515 GPRESSAVG: 1320400 -1.79855 11.9914 7.25294 11.1503 -13.58 -24.7824 6.9568 -25.2383 -14.7256 TIMING: 1320400 CPU: 4122.17, 0.00320799/step Wall: 4122.17, 0.00320799/step, 3.27892 hours remaining, 234.050781 MB of memory in use. ENERGY: 1320400 3957.5772 20505.8562 14442.7937 241.5827 -203641.1109 2538.7481 0.0000 0.0000 52094.8047 -109859.7483 299.3896 -161954.5530 -109489.1083 298.4737 -100.3706 -66.4721 761127.5390 -10.2397 -10.0347 PRESSURE: 1320600 30.9134 -20.9253 62.8205 -20.926 -8.16506 -77.3944 62.8216 -77.3939 186.991 GPRESSURE: 1320600 -46.2257 16.8746 6.52403 -81.4713 126.469 -73.5891 20.8506 -27.3313 193.296 PRESSAVG: 1320600 -59.5804 -11.7844 -55.3836 -11.7844 38.1805 -67.8929 -55.3836 -67.893 4.63143 GPRESSAVG: 1320600 -60.2006 -11.6625 -54.5182 -11.3007 38.9192 -67.9668 -53.8233 -66.805 4.4983 TIMING: 1320600 CPU: 4122.79, 0.00313246/step Wall: 4122.79, 0.00313246/step, 3.20155 hours remaining, 234.250000 MB of memory in use. ENERGY: 1320600 4004.5694 20528.4166 14418.3792 254.4668 -203947.0332 3079.1850 0.0000 0.0000 52217.9146 -109444.1015 300.0971 -161662.0161 -109079.0726 298.6074 69.9132 91.1797 761114.7901 -5.5895 -5.5944 PRESSURE: 1320800 247.101 -50.0491 -43.0234 -50.0486 -292.34 140.86 -43.0228 140.86 63.8329 GPRESSURE: 1320800 229.275 -65.9395 -71.9433 -34.813 -234.786 168.014 -77.0545 73.5746 86.1913 PRESSAVG: 1320800 -11.7457 19.4269 20.4034 19.4269 32.8751 -9.71152 20.4034 -9.71155 10.8284 GPRESSAVG: 1320800 -13.137 20.0753 18.6666 17.1095 32.9409 -11.9658 20.9673 -8.95324 11.7186 TIMING: 1320800 CPU: 4123.42, 0.00314383/step Wall: 4123.42, 0.00314383/step, 3.21299 hours remaining, 234.250000 MB of memory in use. ENERGY: 1320800 3912.0425 20666.0496 14461.2302 260.5620 -203565.5574 2979.0128 0.0000 0.0000 51698.5911 -109588.0693 297.1125 -161286.6603 -109228.4139 299.5244 6.1981 26.8933 763160.1921 10.6526 10.5075 PRESSURE: 1321000 89.6612 33.7982 -131.316 33.7979 29.3728 -440.417 -131.315 -440.417 293.919 GPRESSURE: 1321000 109.009 107.03 -147.69 9.72895 76.8904 -379.81 -101.332 -405.771 318.235 PRESSAVG: 1321000 0.130056 43.2261 -53.0612 43.2262 36.2525 -19.428 -53.0612 -19.428 23.9602 GPRESSAVG: 1321000 0.710156 42.0125 -52.3085 44.842 36.9647 -18.0919 -51.4323 -20.7581 22.6112 TIMING: 1321000 CPU: 4124.05, 0.00314846/step Wall: 4124.05, 0.00314846/step, 3.21755 hours remaining, 234.250000 MB of memory in use. ENERGY: 1321000 3927.1470 20622.0722 14420.1436 275.5217 -203516.9349 2954.1335 0.0000 0.0000 51990.2800 -109327.6369 298.7889 -161317.9169 -108970.0422 298.7439 137.6510 168.0448 760608.8943 20.1142 20.0953 PRESSURE: 1321200 -362.18 -43.1094 -154.897 -43.1109 -153.202 287.022 -154.897 287.022 -250.336 GPRESSURE: 1321200 -256.28 -64.992 -190.085 33.6422 -167.043 304.382 -92.5097 162.286 -259.514 PRESSAVG: 1321200 -13.8002 -4.0753 -16.3613 -4.0752 -12.6021 33.9148 -16.3613 33.9147 -5.49 GPRESSAVG: 1321200 -13.1153 -3.49832 -17.469 -2.0036 -13.9876 34.892 -18.9415 33.3395 -4.84512 TIMING: 1321200 CPU: 4124.68, 0.00313538/step Wall: 4124.68, 0.00313538/step, 3.20401 hours remaining, 234.250000 MB of memory in use. ENERGY: 1321200 3910.4625 20667.7504 14459.6880 256.5004 -203351.4307 2677.2402 0.0000 0.0000 51979.6647 -109400.1246 298.7278 -161379.7893 -109038.8562 298.4991 -255.2394 -227.6121 762984.2584 -10.6308 -10.6493 PRESSURE: 1321400 262.944 -123.123 -114.083 -123.122 151.383 -114.813 -114.083 -114.814 110.882 GPRESSURE: 1321400 344.947 -55.3851 -93.7707 -103.083 160.466 -249.924 -272.608 -49.2018 102.541 PRESSAVG: 1321400 18.6455 4.04566 -21.6174 4.04571 12.5952 26.0919 -21.6174 26.0919 5.42876 GPRESSAVG: 1321400 18.8411 4.78852 -20.068 5.44512 13.3964 25.1902 -23.3702 27.9211 4.89604 TIMING: 1321400 CPU: 4125.31, 0.00314899/step Wall: 4125.31, 0.00314899/step, 3.21774 hours remaining, 234.250000 MB of memory in use. ENERGY: 1321400 3972.3889 20594.7756 14436.7346 221.9087 -203247.7168 2661.8282 0.0000 0.0000 51892.2723 -109467.8085 298.2256 -161360.0807 -109112.8789 298.9048 175.0695 202.6514 760837.0456 12.2232 12.3778 PRESSURE: 1321600 -159.44 -101.783 51.6163 -101.782 -159.026 79.2653 51.6165 79.2655 25.4089 GPRESSURE: 1321600 -157.861 -50.4717 -44.217 -104.79 -215.715 108.299 17.8458 50.6266 145.702 PRESSAVG: 1321600 24.509 -11.6973 -34.8265 -11.6972 -31.1747 -49.7901 -34.8264 -49.7902 -12.3746 GPRESSAVG: 1321600 24.1617 -13.4804 -36.5315 -15.1977 -31.3642 -49.1152 -31.1871 -51.4284 -11.9771 TIMING: 1321600 CPU: 4125.94, 0.00314263/step Wall: 4125.94, 0.00314263/step, 3.21107 hours remaining, 234.250000 MB of memory in use. ENERGY: 1321600 4007.0511 20464.9176 14473.9213 236.3819 -203383.5392 2640.6555 0.0000 0.0000 52051.9743 -109508.6376 299.1434 -161560.6119 -109145.9653 298.6755 -97.6858 -75.9578 763883.2005 -6.3468 -6.3932 PRESSURE: 1321800 132.081 24.026 116.362 24.0255 -245.074 309.827 116.361 309.828 -147.051 GPRESSURE: 1321800 198.709 46.31 156.628 54.364 -305.19 367.867 11.6949 172.497 -101.995 PRESSAVG: 1321800 7.95643 15.8388 -13.7536 15.8387 -22.3067 -6.13858 -13.7537 -6.13863 24.7153 GPRESSAVG: 1321800 7.91705 16.3503 -11.1885 17.8267 -22.1194 -4.96706 -16.1646 -7.1318 24.375 TIMING: 1321800 CPU: 4126.57, 0.00314592/step Wall: 4126.57, 0.00314592/step, 3.21425 hours remaining, 234.250000 MB of memory in use. ENERGY: 1321800 3889.0004 20520.5856 14392.2533 230.7191 -203300.4671 2729.9475 0.0000 0.0000 52103.3834 -109434.5779 299.4389 -161537.9613 -109070.7449 298.9161 -86.6814 -69.4918 764691.3462 3.4550 3.3909 PRESSURE: 1322000 -52.2303 359.759 -260.031 359.761 -324.098 -8.51757 -260.031 -8.51787 -47.1234 GPRESSURE: 1322000 76.3105 287.835 -112.314 208.321 -360.466 -74.1724 -309.297 -76.8192 -72.8143 PRESSAVG: 1322000 -30.2868 31.7487 -16.5191 31.7487 -12.9458 19.1345 -16.5191 19.1345 3.52402 GPRESSAVG: 1322000 -30.0325 30.7918 -17.854 31.4074 -11.889 19.5845 -15.9339 21.432 3.16417 TIMING: 1322000 CPU: 4127.2, 0.00316277/step Wall: 4127.2, 0.00316277/step, 3.2313 hours remaining, 234.250000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1322000 3969.7943 20492.8129 14423.1545 263.0413 -203632.9138 2759.2221 0.0000 0.0000 52079.9111 -109644.9776 299.3040 -161724.8887 -109279.4460 298.7878 -141.1508 -118.9898 763631.4767 -13.2362 -12.9191 PRESSURE: 1322200 -118.222 -107.482 78.8658 -107.482 -49.6833 249.766 78.8649 249.766 -44.3855 GPRESSURE: 1322200 -162.464 -80.5039 99.1373 -67.6842 113.418 270.877 -56.5925 187.781 -86.184 PRESSAVG: 1322200 0.138598 6.13362 -38.6908 6.13363 0.275335 4.86984 -38.6909 4.86983 -19.1663 GPRESSAVG: 1322200 -0.0385382 9.40528 -37.503 5.76722 -0.788138 3.39061 -36.9367 4.18231 -17.6898 TIMING: 1322200 CPU: 4127.83, 0.00315777/step Wall: 4127.83, 0.00315777/step, 3.22602 hours remaining, 234.250000 MB of memory in use. ENERGY: 1322200 3914.6580 20489.7897 14447.0526 258.5164 -203276.6342 2794.9707 0.0000 0.0000 51703.2889 -109668.3579 297.1395 -161371.6468 -109304.3560 298.4326 -70.7637 -45.0769 762619.5680 -6.2508 -6.1721 PRESSURE: 1322400 -25.4689 -252.255 -8.13743 -252.256 -36.462 66.784 -8.13844 66.783 -19.2926 GPRESSURE: 1322400 -50.943 -191.151 81.3219 -274.327 107.856 60.5015 -3.96108 18.1263 -53.5705 PRESSAVG: 1322400 46.6755 -22.0871 35.61 -22.0871 -41.8191 44.0914 35.6101 44.0914 -13.1386 GPRESSAVG: 1322400 46.8804 -22.626 33.0937 -21.0117 -41.2756 44.2694 34.6333 43.2689 -13.2595 TIMING: 1322400 CPU: 4128.46, 0.00314922/step Wall: 4128.46, 0.00314922/step, 3.21711 hours remaining, 234.250000 MB of memory in use. ENERGY: 1322400 4016.9654 20459.2287 14448.4339 238.2467 -203505.1720 2824.2988 0.0000 0.0000 52076.4443 -109441.5542 299.2840 -161517.9985 -109074.2415 298.4138 -27.0745 1.1142 763119.1110 -2.7607 -2.5516 PRESSURE: 1322600 14.7118 197.111 -145.589 197.111 -12.1854 3.04217 -145.588 3.04348 39.7243 GPRESSURE: 1322600 59.657 176.642 -83.9035 91.2786 -37.3206 62.3215 -49.8984 -59.9403 107.44 PRESSAVG: 1322600 29.0063 -37.7791 -33.2689 -37.7791 -32.1577 3.61626 -33.2689 3.61634 -4.75485 GPRESSAVG: 1322600 28.3892 -38.9016 -32.3657 -41.2026 -30.1713 3.83971 -32.0204 4.81323 -5.83965 TIMING: 1322600 CPU: 4129.09, 0.00315349/step Wall: 4129.09, 0.00315349/step, 3.22129 hours remaining, 234.250000 MB of memory in use. ENERGY: 1322600 4002.3936 20477.7074 14365.3700 241.5391 -203225.1884 2677.6929 0.0000 0.0000 52070.8123 -109389.6732 299.2517 -161460.4854 -109030.7164 298.6200 14.0836 43.2587 761793.1844 -2.6354 -2.5406 PRESSURE: 1322800 -46.5955 74.4514 -109.782 74.4513 -57.0524 169.658 -109.783 169.657 15.0622 GPRESSURE: 1322800 21.5848 58.4471 -86.3926 -13.6087 -53.1286 137.786 -98.1718 322.237 27.6836 PRESSAVG: 1322800 -19.0539 -1.87605 -7.85661 -1.87604 -14.2178 18.8458 -7.85671 18.8459 -15.1992 GPRESSAVG: 1322800 -19.0154 -0.420185 -6.99106 -0.653123 -15.9142 18.8345 -7.68845 15.7626 -13.7408 TIMING: 1322800 CPU: 4129.72, 0.00311797/step Wall: 4129.72, 0.00311797/step, 3.18484 hours remaining, 234.250000 MB of memory in use. ENERGY: 1322800 4034.9444 20369.3284 14374.1395 272.4709 -203226.6792 2799.8666 0.0000 0.0000 52078.7971 -109297.1323 299.2976 -161375.9294 -108931.6061 298.7567 -29.5286 -1.2868 762181.7850 -16.1570 -16.2235 PRESSURE: 1323000 -275.753 159.765 -18.4251 159.764 -30.5667 86.7233 -18.4253 86.724 -58.041 GPRESSURE: 1323000 -325.706 29.1604 -44.0216 156.176 53.117 81.2068 -123.813 102.639 -7.62877 PRESSAVG: 1323000 -38.4649 5.71481 24.8237 5.71478 19.0578 42.956 24.8237 42.9561 17.0969 GPRESSAVG: 1323000 -39.0448 3.17396 26.2746 6.37632 20.0046 44.6515 21.3927 42.3588 16.6538 TIMING: 1323000 CPU: 4130.34, 0.00313325/step Wall: 4130.34, 0.00313325/step, 3.20027 hours remaining, 234.250000 MB of memory in use. ENERGY: 1323000 3990.4687 20429.1821 14510.2531 263.1264 -203029.4088 2726.6755 0.0000 0.0000 52064.8516 -109044.8513 299.2174 -161109.7029 -108685.0609 299.6592 -121.4537 -93.4060 761611.7905 -0.7701 -0.7955 PRESSURE: 1323200 217.07 84.7884 221.473 84.7898 154.152 -45.0345 221.473 -45.0349 -103.109 GPRESSURE: 1323200 262.445 106.54 225.303 6.78632 210.605 -84.8841 256.324 -11.7268 -70.8129 PRESSAVG: 1323200 -25.9137 32.7519 -17.0298 32.7519 63.2461 42.4559 -17.0297 42.456 21.2586 GPRESSAVG: 1323200 -24.4963 32.1373 -20.2364 33.812 62.4506 39.501 -12.6682 45.2271 21.0957 TIMING: 1323200 CPU: 4130.98, 0.00316772/step Wall: 4130.98, 0.00316772/step, 3.23529 hours remaining, 234.250000 MB of memory in use. ENERGY: 1323200 4060.9714 20417.4329 14472.4114 228.6380 -203507.3588 3103.4998 0.0000 0.0000 52143.0034 -109081.4019 299.6666 -161224.4053 -108719.5945 300.2332 89.3709 134.0788 762654.4506 19.5303 19.6834 PRESSURE: 1323400 -230.863 -88.2479 -45.7056 -88.2484 -45.985 -45.3254 -45.7054 -45.3254 177.05 GPRESSURE: 1323400 -221.386 -1.91965 -46.6828 -12.7213 24.4205 -75.2634 -8.03469 -73.8792 196.785 PRESSAVG: 1323400 22.6233 26.8698 -11.2186 26.8699 -21.8025 0.845959 -11.2185 0.845933 3.24283 GPRESSAVG: 1323400 22.4242 27.6069 -9.02421 25.7801 -22.4349 5.14043 -15.4746 -0.675872 3.68377 TIMING: 1323400 CPU: 4131.61, 0.00316699/step Wall: 4131.61, 0.00316699/step, 3.23437 hours remaining, 234.250000 MB of memory in use. ENERGY: 1323400 4006.0107 20467.1236 14380.0280 260.8802 -203261.8519 2794.3783 0.0000 0.0000 52312.5282 -109040.9029 300.6408 -161353.4311 -108667.2930 300.0118 -33.2660 -0.0600 763466.8026 1.3546 1.2244 PRESSURE: 1323600 186.646 -175.006 164.212 -175.006 -136.892 58.7024 164.211 58.7016 78.7706 GPRESSURE: 1323600 178.502 -213.63 79.3577 -120.975 -141.691 8.98879 139.314 36.9233 185.321 PRESSAVG: 1323600 52.1779 66.4535 -35.1211 66.4535 -35.4904 11.6726 -35.1211 11.6726 13.8609 GPRESSAVG: 1323600 52.3623 65.9834 -36.3731 66.6686 -35.0274 9.61216 -33.1434 12.0579 13.102 TIMING: 1323600 CPU: 4132.24, 0.00316621/step Wall: 4132.24, 0.00316621/step, 3.2334 hours remaining, 234.250000 MB of memory in use. ENERGY: 1323600 3979.1293 20636.4016 14393.4551 254.9823 -203279.9254 2783.5178 0.0000 0.0000 51873.3365 -109359.1028 298.1168 -161232.4393 -108997.9605 299.6350 42.8414 74.0438 760243.6104 10.1828 10.1456 PRESSURE: 1323800 170.246 90.2382 -86.0521 90.2393 324.118 162.099 -86.0519 162.101 405.711 GPRESSURE: 1323800 220.088 106.208 -15.7732 61.2488 391.717 142.484 61.5521 92.9874 361.145 PRESSAVG: 1323800 -0.858969 36.5071 -35.598 36.5072 65.649 19.7386 -35.598 19.7386 42.5569 GPRESSAVG: 1323800 -0.466123 36.0568 -34.5664 34.6226 64.6114 17.9451 -36.513 20.3455 42.5866 TIMING: 1323800 CPU: 4132.87, 0.00314588/step Wall: 4132.87, 0.00314588/step, 3.21246 hours remaining, 234.250000 MB of memory in use. ENERGY: 1323800 3929.0875 20584.2115 14552.1517 254.8368 -203786.9018 2871.3374 0.0000 0.0000 52383.6641 -109211.6128 301.0496 -161595.2769 -108843.3988 299.7057 300.0251 324.3166 761065.5417 35.7823 35.5773 PRESSURE: 1324000 241.189 -69.0383 -28.567 -69.0378 483.011 146.424 -28.5667 146.424 -154.898 GPRESSURE: 1324000 403.21 81.3194 8.5539 33.7708 440.939 322.709 -2.10239 172.903 -177.622 PRESSAVG: 1324000 -53.9158 34.4205 20.7447 34.4204 31.4483 17.5934 20.7446 17.5934 4.50117 GPRESSAVG: 1324000 -54.6138 34.9703 21.3478 33.0707 32.2574 17.9347 20.7184 17.2729 4.39639 TIMING: 1324000 CPU: 4133.51, 0.00317824/step Wall: 4133.51, 0.00317824/step, 3.24534 hours remaining, 234.250000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1324000 3887.5133 20631.0926 14494.1534 236.8853 -203626.7828 2794.9700 0.0000 0.0000 52287.0242 -109295.1439 300.4942 -161582.1681 -108934.1130 299.1178 189.7672 222.1756 761614.1839 -5.9888 -5.9867 PRESSURE: 1324200 190.947 87.3184 167.745 87.3182 191.448 115.19 167.744 115.19 -305.65 GPRESSURE: 1324200 163.968 80.5842 172.355 1.24733 308.249 15.6557 61.4263 129.665 -288.613 PRESSAVG: 1324200 -16.9267 66.1599 8.54234 66.1598 12.3799 -1.67993 8.5423 -1.67993 -3.92129 GPRESSAVG: 1324200 -16.2261 64.9821 7.31379 69.9848 11.7475 -0.289151 11.5908 -1.55274 -3.26971 TIMING: 1324200 CPU: 4134.14, 0.00314241/step Wall: 4134.14, 0.00314241/step, 3.20857 hours remaining, 234.250000 MB of memory in use. ENERGY: 1324200 3912.8757 20480.5513 14475.7643 262.0885 -203514.1001 3119.4230 0.0000 0.0000 52283.8769 -108979.5203 300.4762 -161263.3972 -108615.9343 299.5871 25.5816 61.2011 761873.6015 -2.8227 -2.5828 LDB: ============= START OF LOAD BALANCING ============== 4146.62 LDB: ============== END OF LOAD BALANCING =============== 4146.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4146.62 LDB: ============= START OF LOAD BALANCING ============== 4146.94 LDB: Largest compute 6983 load 0.031569 is 16.2% of average load 0.195024 LDB: Average compute 0.004367 is 2.2% of average load 0.195024 LDB: TIME 4146.94 LOAD: AVG 0.195024 MAX 0.213884 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.312 MB LDB: TIME 4146.94 LOAD: AVG 0.195024 MAX 0.213884 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.406 MB LDB: TIME 4146.94 LOAD: AVG 0.195024 MAX 0.213884 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.406 MB LDB: ============== END OF LOAD BALANCING =============== 4146.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4146.95 PRESSURE: 1324400 233.786 -54.0605 -21.2487 -54.0597 167.952 -17.314 -21.248 -17.3138 103.365 GPRESSURE: 1324400 350.877 9.09971 -43.2777 -127.927 49.9779 71.4971 -98.614 56.2815 177.394 PRESSAVG: 1324400 17.4347 9.39118 40.2519 9.3912 -9.74178 35.1593 40.2518 35.1593 -17.6395 GPRESSAVG: 1324400 17.5937 10.1974 41.6658 6.70526 -10.1099 33.6008 37.3635 35.9902 -17.9851 TIMING: 1324400 CPU: 4134.78, 0.00323361/step Wall: 4134.78, 0.00323361/step, 3.30152 hours remaining, 235.789062 MB of memory in use. ENERGY: 1324400 3982.2742 20536.2426 14486.7848 241.3516 -203357.8806 2801.9502 0.0000 0.0000 52503.3243 -108805.9530 301.7373 -161309.2773 -108435.2531 300.5051 168.3680 192.7497 761962.3193 -3.3155 -3.5004 PRESSURE: 1324600 -342.131 -115.797 38.7347 -115.797 -207.867 100.794 38.7342 100.793 -122.74 GPRESSURE: 1324600 -358.461 -97.0525 168.855 13.4189 -130.726 132.109 -93.0989 74.0372 -93.3487 PRESSAVG: 1324600 -2.03785 -37.4709 22.1906 -37.4709 -17.9836 -52.8352 22.1906 -52.8352 -2.27025 GPRESSAVG: 1324600 -2.09859 -36.7807 22.6536 -37.4776 -17.9251 -52.0958 20.8964 -53.5612 -2.41522 TIMING: 1324600 CPU: 4135.41, 0.00314695/step Wall: 4135.41, 0.00314695/step, 3.21287 hours remaining, 235.992188 MB of memory in use. ENERGY: 1324600 4058.9484 20656.7087 14454.2733 256.5065 -202716.4547 2410.2155 0.0000 0.0000 51997.3521 -108882.4501 298.8295 -160879.8022 -108517.5920 300.6579 -224.2461 -194.1784 762802.9027 -7.4306 -7.4796 PRESSURE: 1324800 -253.29 17.608 -119.289 17.6082 -50.7176 -72.2804 -119.289 -72.2806 351.383 GPRESSURE: 1324800 -187.857 -14.6407 -128.508 80.4488 -17.8999 -56.6009 -154.714 -58.0673 323.866 PRESSAVG: 1324800 -72.7804 7.17075 -13.7792 7.17076 42.1414 34.5243 -13.7792 34.5244 7.12525 GPRESSAVG: 1324800 -73.7032 7.79478 -14.8966 8.17726 42.203 34.8343 -11.6692 33.4121 7.61131 TIMING: 1324800 CPU: 4136.04, 0.00316228/step Wall: 4136.04, 0.00316228/step, 3.22834 hours remaining, 235.992188 MB of memory in use. ENERGY: 1324800 3948.2897 20559.3749 14323.9974 238.8033 -203033.9073 2517.7244 0.0000 0.0000 52600.1752 -108845.5424 302.2939 -161445.7176 -108478.2847 300.3975 15.7918 39.3695 762791.6787 -7.8379 -7.9630 PRESSURE: 1325000 -174.706 146.577 -287.542 146.578 -34.3719 -114.871 -287.542 -114.872 130.637 GPRESSURE: 1325000 -162.586 115.194 -218.971 144.105 84.7031 -171.793 -268.065 -82.0638 88.998 PRESSAVG: 1325000 -34.7855 31.5554 -34.0928 31.5554 24.1204 -6.02799 -34.0928 -6.02799 5.43616 GPRESSAVG: 1325000 -35.2866 30.4707 -35.9852 32.7559 25.5296 -6.47952 -33.3685 -6.25365 4.3689 TIMING: 1325000 CPU: 4136.68, 0.00315609/step Wall: 4136.68, 0.00315609/step, 3.22184 hours remaining, 235.992188 MB of memory in use. ENERGY: 1325000 4085.4681 20570.2976 14467.9384 259.6527 -203243.6015 2799.3341 0.0000 0.0000 52255.3899 -108805.5206 300.3124 -161060.9105 -108438.7619 300.7395 -26.1470 3.7052 763002.5001 -1.7430 -1.7960 PRESSURE: 1325200 -33.3198 -65.0779 241.057 -65.0785 -160.884 261.859 241.058 261.859 -234.452 GPRESSURE: 1325200 5.58982 -102.164 247.604 -64.4576 -99.3614 250.272 104.593 244.092 -259.138 PRESSAVG: 1325200 21.0382 4.28902 12.601 4.28906 -24.754 9.04426 12.601 9.04428 28.5079 GPRESSAVG: 1325200 21.493 4.87049 13.1881 2.59893 -26.2731 8.7976 13.0513 12.0605 29.6087 TIMING: 1325200 CPU: 4137.31, 0.00316027/step Wall: 4137.31, 0.00316027/step, 3.22593 hours remaining, 235.992188 MB of memory in use. ENERGY: 1325200 3991.1167 20627.5863 14397.4687 239.2473 -203267.8441 2807.7403 0.0000 0.0000 52272.1550 -108932.5298 300.4088 -161204.6848 -108557.0043 300.5915 -142.8853 -117.6367 762998.0459 8.2640 8.2762 PRESSURE: 1325400 -2.27909 -101.113 117.586 -101.113 -334.304 37.4172 117.587 37.418 -191.179 GPRESSURE: 1325400 -37.2415 -31.6958 49.2208 -137.039 -271.432 121.188 61.5905 66.311 -164.739 PRESSAVG: 1325400 -31.4669 19.4393 29.995 19.4393 -8.58261 -26.488 29.995 -26.4881 19.5983 GPRESSAVG: 1325400 -31.5492 19.4567 30.3037 19.2743 -9.04012 -27.2387 29.2386 -26.472 19.429 TIMING: 1325400 CPU: 4137.94, 0.00314934/step Wall: 4137.94, 0.00314934/step, 3.2146 hours remaining, 235.992188 MB of memory in use. ENERGY: 1325400 4073.4450 20790.9869 14414.6888 258.6672 -203163.4077 2748.4149 0.0000 0.0000 52084.5601 -108792.6449 299.3307 -160877.2049 -108435.8995 300.2728 -175.9208 -157.8044 763212.4766 -6.8171 -7.0534 PRESSURE: 1325600 -311.469 -21.4751 -149.857 -21.4749 -205.507 128.104 -149.857 128.104 -74.119 GPRESSURE: 1325600 -209.361 -52.6451 -141.899 -89.1621 -169.786 111.54 -154.624 64.496 -125.286 PRESSAVG: 1325600 38.4096 -9.45321 90.2275 -9.45319 -17.6825 -10.1929 90.2275 -10.1929 -6.1043 GPRESSAVG: 1325600 39.0934 -9.5687 91.3503 -9.41226 -16.5219 -7.89052 89.9202 -12.7125 -8.07029 TIMING: 1325600 CPU: 4138.57, 0.00314635/step Wall: 4138.57, 0.00314635/step, 3.21138 hours remaining, 235.992188 MB of memory in use. ENERGY: 1325600 4037.6618 20647.3966 14421.0667 240.0631 -203245.4966 2675.1729 0.0000 0.0000 52266.2579 -108957.8777 300.3749 -161224.1356 -108587.1795 300.3487 -197.0317 -168.1443 763756.4513 4.8743 4.8337 PRESSURE: 1325800 -60.5035 80.4009 105.75 80.401 -214.423 18.4485 105.75 18.4475 -240.51 GPRESSURE: 1325800 -99.9587 -20.1089 92.1093 58.9517 -80.0276 3.49344 251.372 -105.28 -267.615 PRESSAVG: 1325800 22.0316 21.6265 -37.143 21.6265 7.58671 -14.0231 -37.1429 -14.0232 7.54876 GPRESSAVG: 1325800 22.2168 19.3113 -38.9799 22.6685 7.81537 -15.099 -34.6792 -12.7053 7.44768 TIMING: 1325800 CPU: 4139.2, 0.00314487/step Wall: 4139.2, 0.00314487/step, 3.20969 hours remaining, 235.992188 MB of memory in use. ENERGY: 1325800 4029.1553 20634.2871 14452.5340 235.5919 -203156.7869 2668.7440 0.0000 0.0000 52146.2467 -108990.2278 299.6852 -161136.4746 -108617.8917 300.0586 -171.8122 -149.2003 763729.6999 12.3890 12.4933 PRESSURE: 1326000 -79.596 154.288 110.313 154.288 -8.5208 -107.685 110.313 -107.684 -242.178 GPRESSURE: 1326000 -78.4024 252.859 117.881 148.474 -7.27977 -95.3071 54.3585 53.4012 -147.908 PRESSAVG: 1326000 -27.7374 48.9973 -38.4099 48.9973 50.891 -18.7538 -38.41 -18.7538 -10.0058 GPRESSAVG: 1326000 -28.4028 51.6918 -36.0641 48.0793 50.6541 -19.5276 -40.7699 -18.2558 -9.10856 TIMING: 1326000 CPU: 4139.83, 0.0031525/step Wall: 4139.83, 0.0031525/step, 3.2173 hours remaining, 235.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1326000 4039.9815 20645.1869 14430.2288 236.6204 -202977.6948 2626.1698 0.0000 0.0000 52203.1019 -108796.4057 300.0119 -160999.5075 -108430.6563 299.7862 -110.0982 -77.8634 762262.4113 4.3826 4.3809 PRESSURE: 1326200 -388.346 62.4436 8.54652 62.4437 108.65 -11.9198 8.54562 -11.9188 -120.298 GPRESSURE: 1326200 -307.942 24.6632 23.6527 141.976 172.659 -22.1207 12.9354 95.2708 -166.46 PRESSAVG: 1326200 -39.5995 53.7113 -50.1822 53.7113 38.1015 35.2213 -50.1823 35.2214 -9.23348 GPRESSAVG: 1326200 -38.4377 53.1621 -50.5117 54.355 37.057 33.7962 -48.4864 34.757 -9.19981 TIMING: 1326200 CPU: 4140.46, 0.00315965/step Wall: 4140.46, 0.00315965/step, 3.22443 hours remaining, 235.992188 MB of memory in use. ENERGY: 1326200 4013.1715 20427.6132 14458.3764 235.5753 -202877.2661 2601.9679 0.0000 0.0000 52162.4016 -108978.1601 299.7780 -161140.5618 -108613.4759 300.1228 -133.3316 -100.5809 763328.4887 -3.5772 -3.5268 PRESSURE: 1326400 -175.745 -110.872 -183.027 -110.873 -588.024 85.5082 -183.027 85.5077 -252.136 GPRESSURE: 1326400 -166.929 -131.047 -158.991 -82.4925 -498.04 39.0111 -108.027 -0.353925 -247.428 PRESSAVG: 1326400 -38.1822 28.2452 -35.5962 28.2452 32.8497 7.60525 -35.5962 7.60523 25.1172 GPRESSAVG: 1326400 -38.8538 27.0434 -35.0295 29.0636 33.8767 9.36882 -36.3417 6.31338 24.3065 TIMING: 1326400 CPU: 4141.09, 0.00316568/step Wall: 4141.09, 0.00316567/step, 3.2304 hours remaining, 235.992188 MB of memory in use. ENERGY: 1326400 4029.5301 20513.0450 14432.7608 248.8955 -202639.5175 2236.3910 0.0000 0.0000 52136.9702 -109041.9249 299.6319 -161178.8951 -108682.1938 299.6062 -338.6348 -304.1322 762969.0342 6.5949 6.4431 PRESSURE: 1326600 -97.5294 30.1006 133.654 30.1008 -5.31795 -101.14 133.654 -101.14 -223.717 GPRESSURE: 1326600 -61.5153 -32.7556 211.32 -5.99704 15.2951 -165.044 149.459 85.1426 -208.143 PRESSAVG: 1326600 -12.6341 55.0621 -32.6236 55.0621 7.41049 -1.27919 -32.6236 -1.27914 29.194 GPRESSAVG: 1326600 -13.7558 55.6868 -34.1846 52.4503 7.07601 -1.48252 -34.3904 0.210092 29.8012 TIMING: 1326600 CPU: 4141.72, 0.00315762/step Wall: 4141.72, 0.00315762/step, 3.222 hours remaining, 235.992188 MB of memory in use. ENERGY: 1326600 4033.5963 20490.0988 14423.4776 247.5028 -203394.1608 2812.4395 0.0000 0.0000 52174.0445 -109213.0013 299.8450 -161387.0457 -108850.2118 299.7568 -108.8547 -84.7879 762679.7460 7.9902 7.7071 PRESSURE: 1326800 -156.65 -199.049 -41.385 -199.049 -293.353 143.68 -41.3847 143.68 68.4388 GPRESSURE: 1326800 -145.157 -238.642 -136.327 -86.1403 -257.985 194.711 -13.4439 1.1031 103.795 PRESSAVG: 1326800 14.6826 36.6393 -21.961 36.6393 -24.4694 25.7199 -21.9611 25.7199 -7.67194 GPRESSAVG: 1326800 14.9248 36.1579 -20.2808 37.2536 -24.995 25.5655 -21.2799 24.8641 -7.39446 TIMING: 1326800 CPU: 4142.35, 0.00314418/step Wall: 4142.35, 0.00314418/step, 3.20812 hours remaining, 235.992188 MB of memory in use. ENERGY: 1326800 3953.6552 20532.8864 14406.1014 264.5586 -203391.7042 2957.9560 0.0000 0.0000 52042.4647 -109234.0819 299.0888 -161276.5466 -108864.0688 299.5589 -127.1881 -99.7822 762874.5767 -5.8196 -5.8216 PRESSURE: 1327000 -178.42 260.364 -21.8147 260.364 -267.239 -43.0703 -21.8138 -43.0689 -385.273 GPRESSURE: 1327000 -202.614 228.218 1.41889 225.54 -301.159 -178.288 5.26916 -123.133 -260.169 PRESSAVG: 1327000 2.87901 43.7082 11.6546 43.7082 18.2961 7.90401 11.6546 7.90401 -14.4756 GPRESSAVG: 1327000 2.89154 45.7201 10.5464 44.5137 16.9193 8.79543 12.2561 5.53679 -13.6469 TIMING: 1327000 CPU: 4142.98, 0.00314919/step Wall: 4142.98, 0.00314919/step, 3.21305 hours remaining, 235.992188 MB of memory in use. ENERGY: 1327000 3975.9248 20452.7930 14418.6721 236.5822 -202734.0740 2378.7127 0.0000 0.0000 51943.0593 -109328.3299 298.5175 -161271.3892 -108959.0066 299.6871 -276.9772 -254.6474 763319.2541 2.2331 2.0546 PRESSURE: 1327200 -403.289 -172.543 144.967 -172.543 -561.197 -23.2531 144.967 -23.2521 -464.316 GPRESSURE: 1327200 -389.943 -129.809 84.4902 -222.625 -523.039 -0.228278 232.694 41.146 -445.623 PRESSAVG: 1327200 3.48388 26.6819 5.92224 26.6819 12.4322 -8.20406 5.92221 -8.20402 22.7624 GPRESSAVG: 1327200 2.95194 24.3807 5.69321 28.2036 14.3895 -10.2383 3.80815 -5.4983 21.2167 TIMING: 1327200 CPU: 4143.61, 0.00314286/step Wall: 4143.61, 0.00314286/step, 3.20642 hours remaining, 235.992188 MB of memory in use. ENERGY: 1327200 3990.2995 20605.5647 14470.6898 246.7057 -202634.2264 2041.3277 0.0000 0.0000 52224.6251 -109055.0139 300.1356 -161279.6390 -108696.9555 299.6808 -476.2674 -452.8686 761677.1877 12.8928 12.8527 PRESSURE: 1327400 -34.0822 1.84487 -104.335 1.84512 125.441 -81.8845 -104.335 -81.8846 -89.1674 GPRESSURE: 1327400 16.3914 -40.5336 -39.04 -49.4715 158.077 -125.264 -121.903 -265.611 -83.896 PRESSAVG: 1327400 6.65488 58.8663 -12.1639 58.8662 -47.1437 -28.2066 -12.1639 -28.2066 -12.4594 GPRESSAVG: 1327400 7.36422 59.429 -11.4996 57.7129 -46.4941 -27.1163 -12.044 -29.8237 -13.1079 TIMING: 1327400 CPU: 4144.24, 0.00315563/step Wall: 4144.24, 0.00315563/step, 3.21927 hours remaining, 235.992188 MB of memory in use. ENERGY: 1327400 4034.0483 20511.6852 14484.7467 224.4264 -203385.9008 2893.2131 0.0000 0.0000 52159.3385 -109078.4425 299.7604 -161237.7810 -108719.0357 299.8296 0.7306 30.1910 762965.3284 -17.6494 -17.4126 PRESSURE: 1327600 -421.031 -97.5119 -98.122 -97.5121 -102.865 -115.204 -98.1227 -115.204 -176.762 GPRESSURE: 1327600 -395.55 -47.7769 -26.4304 -101.941 -95.4613 -31.7783 -32.5209 -4.81302 -123.42 PRESSAVG: 1327600 46.4145 -0.23845 -42.701 -0.238467 3.0358 -9.77128 -42.701 -9.7713 -2.39003 GPRESSAVG: 1327600 46.0071 0.318989 -42.4943 -1.14296 2.95915 -9.06218 -41.6683 -9.40946 -2.13052 TIMING: 1327600 CPU: 4144.87, 0.00314092/step Wall: 4144.87, 0.00314092/step, 3.20409 hours remaining, 235.992188 MB of memory in use. ENERGY: 1327600 4047.0754 20409.4666 14446.0323 269.1211 -203429.8312 2884.8466 0.0000 0.0000 52254.1791 -109119.1100 300.3055 -161373.2892 -108762.4283 300.0192 -233.5529 -204.8105 763450.5918 15.6868 15.6119 PRESSURE: 1327800 172.208 -29.8389 -99.303 -29.8387 -181.893 179.727 -99.3028 179.728 -9.17649 GPRESSURE: 1327800 222.111 -179.463 -69.9119 -15.1448 -115.641 206.624 118.193 183.139 -53.5159 PRESSAVG: 1327800 16.8006 12.2712 1.47475 12.2713 -66.8598 12.3813 1.4748 12.3814 26.5252 GPRESSAVG: 1327800 17.5111 12.5937 0.101609 11.4809 -66.2479 11.3954 1.52033 13.7265 25.8964 TIMING: 1327800 CPU: 4145.5, 0.00315624/step Wall: 4145.5, 0.00315624/step, 3.21954 hours remaining, 235.992188 MB of memory in use. ENERGY: 1327800 4053.6308 20679.4243 14496.7257 255.5891 -203136.6146 2714.5748 0.0000 0.0000 51931.1629 -109005.5070 298.4491 -160936.6699 -108648.7166 299.7467 -6.2874 17.6514 765343.9489 -7.8447 -7.6135 PRESSURE: 1328000 166.207 -29.6148 80.4884 -29.6149 -285.222 243.669 80.4882 243.67 -164.467 GPRESSURE: 1328000 84.1298 -62.169 2.32843 -79.8457 -235.608 262.771 20.3666 182.202 -81.4868 PRESSAVG: 1328000 -4.34806 -33.931 -35.2564 -33.931 -17.6641 -16.2523 -35.2564 -16.2523 14.3477 GPRESSAVG: 1328000 -3.98479 -35.0061 -34.0054 -32.272 -18.7926 -17.0733 -35.1052 -15.4767 15.4092 TIMING: 1328000 CPU: 4146.13, 0.00315266/step Wall: 4146.13, 0.00315266/step, 3.21571 hours remaining, 235.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1328000 4019.8971 20642.0574 14464.8357 252.7619 -202797.3112 2438.6755 0.0000 0.0000 52165.6168 -108813.4667 299.7965 -160979.0835 -108450.5578 300.0716 -94.4941 -77.6550 764433.2503 -2.5548 -2.4561 PRESSURE: 1328200 -65.7548 -65.5695 -132.427 -65.5694 8.75488 -242.473 -132.427 -242.473 245.482 GPRESSURE: 1328200 -19.5931 -67.9963 -146.45 -16.9922 -26.1745 -205.588 -164.381 -268.302 332.4 PRESSAVG: 1328200 -12.7659 -36.235 -26.5103 -36.2351 7.6271 3.34982 -26.5103 3.34987 2.82853 GPRESSAVG: 1328200 -14.1324 -35.5793 -27.6465 -35.9458 8.21081 5.02386 -25.9713 1.84651 3.2659 TIMING: 1328200 CPU: 4146.76, 0.00314415/step Wall: 4146.76, 0.00314415/step, 3.20686 hours remaining, 235.992188 MB of memory in use. ENERGY: 1328200 4011.6640 20508.9905 14514.9181 239.9034 -202774.7225 2671.3556 0.0000 0.0000 51948.1677 -108879.7233 298.5468 -160827.8910 -108514.0403 300.0971 62.8273 95.5441 761992.5586 -0.7701 -0.8852 LDB: ============= START OF LOAD BALANCING ============== 4159.24 LDB: ============== END OF LOAD BALANCING =============== 4159.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4159.24 LDB: ============= START OF LOAD BALANCING ============== 4159.56 LDB: Largest compute 6984 load 0.030891 is 15.8% of average load 0.195072 LDB: Average compute 0.004363 is 2.2% of average load 0.195072 LDB: TIME 4159.56 LOAD: AVG 0.195072 MAX 0.213772 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.742 MB LDB: TIME 4159.56 LOAD: AVG 0.195072 MAX 0.213772 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.742 MB LDB: TIME 4159.56 LOAD: AVG 0.195072 MAX 0.213772 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.742 MB LDB: ============== END OF LOAD BALANCING =============== 4159.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4159.57 PRESSURE: 1328400 -158.496 -92.7641 -21.2754 -92.765 -211.967 91.6413 -21.2763 91.6415 359.725 GPRESSURE: 1328400 -148.893 -104.339 -79.596 -94.1962 -214.038 130.094 34.9009 127.998 441.935 PRESSAVG: 1328400 18.8727 -92.455 -10.7212 -92.455 2.59808 -7.50847 -10.7212 -7.50851 13.1673 GPRESSAVG: 1328400 18.57 -91.9613 -9.50359 -93.949 3.16879 -9.08623 -10.9895 -5.60332 13.5264 TIMING: 1328400 CPU: 4147.4, 0.003198/step Wall: 4147.4, 0.003198/step, 3.2616 hours remaining, 233.539062 MB of memory in use. ENERGY: 1328400 3917.1851 20688.6464 14439.5097 224.0066 -202973.4281 2641.7849 0.0000 0.0000 52125.5976 -108936.6979 299.5665 -161062.2954 -108575.0389 300.0790 -3.5794 26.3346 763942.4401 11.5460 11.7551 PRESSURE: 1328600 -118.155 -13.7407 -138.671 -13.7408 -10.5067 326.801 -138.672 326.799 -34.3713 GPRESSURE: 1328600 -79.4566 -9.83067 -88.401 5.86372 23.2347 334.621 -219.639 218.876 -22.1445 PRESSAVG: 1328600 -26.6473 -85.3353 -48.4963 -85.3352 -2.04978 8.47796 -48.4964 8.47798 4.71888 GPRESSAVG: 1328600 -26.8373 -84.741 -50.5989 -85.5035 -1.06803 8.74278 -47.1069 6.00999 4.30974 TIMING: 1328600 CPU: 4148.03, 0.00315579/step Wall: 4148.03, 0.00315579/step, 3.21838 hours remaining, 233.539062 MB of memory in use. ENERGY: 1328600 4022.8576 20668.5365 14420.9167 250.1197 -203107.8616 2685.4293 0.0000 0.0000 52220.6936 -108839.3083 300.1130 -161060.0019 -108478.6202 299.9351 -54.3442 -26.1221 762957.1325 -7.9927 -7.8652 PRESSURE: 1328800 -239.103 -139.301 323.727 -139.301 163.731 -170.389 323.727 -170.389 219.431 GPRESSURE: 1328800 -187.586 -101.311 315.499 -28.6275 119.686 -154.414 351.988 -98.5407 291.222 PRESSAVG: 1328800 51.5146 -6.19263 -12.6335 -6.19268 -43.4037 23.3422 -12.6335 23.3422 -4.36288 GPRESSAVG: 1328800 52.1906 -7.61929 -11.177 -5.66409 -44.7795 21.9093 -13.6671 26.3077 -3.04902 TIMING: 1328800 CPU: 4148.66, 0.0031339/step Wall: 4148.66, 0.0031339/step, 3.19588 hours remaining, 233.539062 MB of memory in use. ENERGY: 1328800 3968.5083 20568.7258 14487.3340 242.1700 -203007.1404 2660.1843 0.0000 0.0000 52162.1243 -108918.0937 299.7764 -161080.2180 -108552.3477 299.9992 48.0198 74.4408 764435.0191 1.2493 1.4540 PRESSURE: 1329000 44.4193 -60.8986 -168.488 -60.8997 423.52 97.8551 -168.487 97.8563 263.137 GPRESSURE: 1329000 135.671 -50.121 -255.208 -164.996 354.731 12.2791 -64.7135 69.9478 318.852 PRESSAVG: 1329000 16.7141 -3.79027 10.5966 -3.79033 19.3219 -16.3019 10.5966 -16.302 -18.8413 GPRESSAVG: 1329000 17.4445 -4.42632 10.9984 -5.2215 18.9466 -14.3689 12.4591 -17.2585 -19.2686 TIMING: 1329000 CPU: 4149.29, 0.00314158/step Wall: 4149.29, 0.00314158/step, 3.20354 hours remaining, 233.539062 MB of memory in use. ENERGY: 1329000 3912.5067 20674.5354 14446.7758 234.3382 -203101.8871 2717.2731 0.0000 0.0000 51899.4783 -109216.9795 298.2670 -161116.4578 -108860.9268 299.4042 243.6921 269.7513 760977.7097 5.7315 5.7075 PRESSURE: 1329200 -215.891 -178.283 68.1133 -178.283 -411.742 -26.2138 68.1135 -26.2138 -14.521 GPRESSURE: 1329200 -237.676 -140.041 -77.2643 -138.264 -328.294 -4.62342 96.7107 -15.5675 3.48041 PRESSAVG: 1329200 -32.733 11.6213 -3.39607 11.6213 23.4228 3.7261 -3.39607 3.72607 3.81385 GPRESSAVG: 1329200 -32.1508 11.5055 -3.23328 12.7538 24.026 3.2677 -4.19026 1.93256 2.96562 TIMING: 1329200 CPU: 4149.91, 0.00312982/step Wall: 4149.91, 0.00312982/step, 3.19137 hours remaining, 233.539062 MB of memory in use. ENERGY: 1329200 3970.7266 20612.2274 14439.4860 257.9156 -202798.4933 2227.0863 0.0000 0.0000 52173.7487 -109117.3028 299.8433 -161291.0515 -108761.5043 299.5400 -214.0513 -187.4967 760232.0962 -1.8321 -1.7197 PRESSURE: 1329400 -81.347 78.7942 60.5688 78.7945 0.432489 254.623 60.5681 254.623 -253.683 GPRESSURE: 1329400 34.1176 -38.4833 108.52 8.60464 -44.037 84.9522 0.33838 436.495 -239.229 PRESSAVG: 1329400 -37.2936 -32.1132 -27.7395 -32.1131 7.61651 -53.7993 -27.7395 -53.7994 14.4181 GPRESSAVG: 1329400 -36.7794 -31.1286 -30.2528 -32.5527 8.10909 -54.1033 -27.6095 -53.1446 13.7069 TIMING: 1329400 CPU: 4150.54, 0.00315534/step Wall: 4150.54, 0.00315534/step, 3.21722 hours remaining, 233.539062 MB of memory in use. ENERGY: 1329400 3939.1276 20646.7895 14456.3990 248.3927 -203342.2759 2630.7819 0.0000 0.0000 52341.8019 -109078.9834 300.8091 -161420.7853 -108711.5115 299.7484 -111.5324 -83.0494 761330.5781 -5.0863 -4.9878 PRESSURE: 1329600 -79.2573 81.2251 107.253 81.2246 9.10673 54.6369 107.253 54.6369 -63.0956 GPRESSURE: 1329600 -11.2972 79.0584 145.567 58.4668 18.8077 27.6233 63.6263 20.9893 -52.3209 PRESSAVG: 1329600 2.09607 -47.5332 -15.1617 -47.5333 -42.0676 18.1065 -15.1617 18.1065 3.50565 GPRESSAVG: 1329600 2.29102 -49.0985 -13.0421 -48.1663 -41.9141 19.0434 -14.9951 17.7208 3.53755 TIMING: 1329600 CPU: 4151.17, 0.00315686/step Wall: 4151.17, 0.00315686/step, 3.21859 hours remaining, 233.539062 MB of memory in use. ENERGY: 1329600 4087.7583 20474.1319 14483.5670 230.6562 -203192.6833 2552.9809 0.0000 0.0000 52230.6493 -109132.9399 300.1703 -161363.5891 -108759.7343 299.5450 -44.4154 -14.9368 762102.2930 -12.1553 -12.0285 PRESSURE: 1329800 -115.247 113.53 -63.2621 113.53 212.183 -198.786 -63.2632 -198.787 190.628 GPRESSURE: 1329800 -212.922 157.897 67.6537 63.3324 313.094 -226.766 -58.2832 -165.947 262.446 PRESSAVG: 1329800 -46.0563 -4.55417 11.3273 -4.55417 60.7523 45.9123 11.3272 45.9124 -24.7337 GPRESSAVG: 1329800 -47.718 -3.28906 10.6999 -3.18815 61.2756 45.6092 11.0109 47.7585 -23.7849 TIMING: 1329800 CPU: 4151.8, 0.00312752/step Wall: 4151.8, 0.00312752/step, 3.18851 hours remaining, 233.539062 MB of memory in use. ENERGY: 1329800 4012.4652 20567.3841 14453.0814 253.5513 -203355.9172 3004.7761 0.0000 0.0000 52033.4101 -109031.2490 299.0367 -161064.6591 -108671.6379 299.3958 95.8546 120.8726 762013.6466 -3.3459 -3.4091 PRESSURE: 1330000 -115.959 -195.578 12.0206 -195.577 308.458 -204.273 12.0206 -204.273 -4.92219 GPRESSURE: 1330000 -102.726 -226.822 95.0471 -320.858 385.884 -331.076 39.8488 -7.80314 -21.6952 PRESSAVG: 1330000 -22.0968 -8.37446 5.88239 -8.37443 55.124 -18.319 5.88235 -18.319 29.1617 GPRESSAVG: 1330000 -21.7795 -9.9429 6.69612 -8.90849 55.0697 -17.612 6.07054 -17.8627 29.221 TIMING: 1330000 CPU: 4152.43, 0.00315181/step Wall: 4152.43, 0.00315181/step, 3.2131 hours remaining, 233.539062 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: 1330000 3910.9838 20559.5550 14458.3741 238.6839 -203145.3227 2727.9959 0.0000 0.0000 52192.6842 -109057.0458 299.9521 -161249.7300 -108689.9049 299.8721 62.5257 87.1544 760954.8686 20.7296 20.8371 PRESSURE: 1330200 -509.677 11.9428 132.566 11.9431 -157.267 50.0061 132.566 50.0064 -492.537 GPRESSURE: 1330200 -495.026 75.0166 129.322 -41.5069 -100.724 -1.84932 213.426 36.9688 -483.072 PRESSAVG: 1330200 32.5106 -3.16868 -1.15011 -3.16871 -9.69932 -33.6964 -1.15013 -33.6963 12.9557 GPRESSAVG: 1330200 31.7471 -3.49888 -1.08974 -3.75166 -8.98079 -34.1462 -1.48974 -34.2538 13.1688 TIMING: 1330200 CPU: 4153.07, 0.00317309/step Wall: 4153.07, 0.00317309/step, 3.23461 hours remaining, 233.539062 MB of memory in use. ENERGY: 1330200 4025.9175 20549.2604 14446.4472 247.8359 -202927.0143 2538.4991 0.0000 0.0000 51886.2386 -109232.8155 298.1909 -161119.0541 -108874.9222 298.9946 -386.4939 -359.6077 761607.9201 11.9223 11.9784 PRESSURE: 1330400 -199.697 65.9757 71.7824 65.9762 -364.755 -8.99384 71.7828 -8.99294 -93.1122 GPRESSURE: 1330400 -168.112 -38.9576 -45.5816 175.387 -284.421 50.6799 3.82073 -1.61001 -130.655 PRESSAVG: 1330400 -13.2409 -33.7285 -34.8045 -33.7285 38.8619 -52.8873 -34.8045 -52.8874 -8.54618 GPRESSAVG: 1330400 -14.879 -33.5226 -38.1698 -31.9696 39.7257 -51.8807 -33.7685 -54.5061 -7.28173 TIMING: 1330400 CPU: 4153.7, 0.0031511/step Wall: 4153.7, 0.0031511/step, 3.21202 hours remaining, 233.539062 MB of memory in use. ENERGY: 1330400 3993.6866 20454.8966 14475.7584 232.0660 -203098.0100 2646.7042 0.0000 0.0000 51979.0886 -109315.8096 298.7245 -161294.8982 -108956.5338 298.7123 -219.1882 -194.3960 764752.5813 5.6916 5.8550 PRESSURE: 1330600 502.344 19.6944 9.89953 19.6942 -29.147 -95.8666 9.89952 -95.8654 -95.4203 GPRESSURE: 1330600 395.795 128.615 -12.4285 60.9859 122.67 -129.577 105.971 -60.9839 -42.9268 PRESSAVG: 1330600 -41.1994 -9.2445 11.2745 -9.2444 36.2534 11.7381 11.2745 11.738 26.2621 GPRESSAVG: 1330600 -39.4366 -10.2392 13.95 -8.96506 35.6215 10.7612 9.91783 11.6056 25.0272 TIMING: 1330600 CPU: 4154.33, 0.00315975/step Wall: 4154.33, 0.00315975/step, 3.22067 hours remaining, 233.539062 MB of memory in use. ENERGY: 1330600 4082.8458 20492.6916 14451.4329 234.1778 -203267.0353 2755.7452 0.0000 0.0000 52060.0326 -109190.1093 299.1897 -161250.1419 -108828.1701 298.7367 125.9257 158.5130 764047.1038 7.1054 7.0707 PRESSURE: 1330800 -305.196 -127.229 88.4135 -127.229 -183.199 -229.819 88.414 -229.819 -49.3401 GPRESSURE: 1330800 -204.569 -67.5329 130.426 -22.4133 -179.021 -125.604 164.935 -218.505 -87.4309 PRESSAVG: 1330800 31.7608 19.4605 23.1215 19.4606 -0.524881 1.04585 23.1215 1.04583 9.75894 GPRESSAVG: 1330800 31.205 20.7705 23.0182 18.1423 -0.91673 0.793156 24.3568 0.273968 10.1245 TIMING: 1330800 CPU: 4154.96, 0.00314664/step Wall: 4154.96, 0.00314664/step, 3.20713 hours remaining, 233.539062 MB of memory in use. ENERGY: 1330800 3967.9776 20552.1603 14522.7421 231.5502 -202894.3009 2457.7117 0.0000 0.0000 51827.9477 -109334.2113 297.8559 -161162.1590 -108973.3806 299.2567 -179.2451 -157.0070 762392.1101 13.6649 13.4709 PRESSURE: 1331000 272.78 28.2122 418.347 28.2131 123.136 -230.886 418.347 -230.885 463.232 GPRESSURE: 1331000 336.042 -29.9534 370.797 74.4643 176.246 -147.526 371.486 -240.544 426.653 PRESSAVG: 1331000 13.5273 27.0695 65.3637 27.0695 -11.2361 17.9668 65.3638 17.9667 18.9178 GPRESSAVG: 1331000 14.8939 28.3352 66.1541 25.5136 -11.5783 18.8471 65.3337 20.969 18.0831 TIMING: 1331000 CPU: 4155.59, 0.00314559/step Wall: 4155.59, 0.00314559/step, 3.20588 hours remaining, 233.539062 MB of memory in use. ENERGY: 1331000 3871.6440 20392.8859 14488.8873 249.9471 -203379.2650 3047.8640 0.0000 0.0000 52015.5691 -109312.4676 298.9342 -161328.0366 -108950.6989 298.4264 286.3829 312.9805 762872.4909 7.0697 7.1329 PRESSURE: 1331200 -47.129 -173.975 -17.4613 -173.975 183.26 68.2697 -17.4609 68.2689 -81.9265 GPRESSURE: 1331200 -46.0337 -143.451 -117.613 -190.163 237.647 15.7734 -82.749 -60.8758 -54.8267 PRESSAVG: 1331200 5.37731 -36.6317 -37.8048 -36.6317 -34.5247 -24.9317 -37.8048 -24.9317 -3.8947 GPRESSAVG: 1331200 3.7166 -38.504 -39.706 -33.2467 -33.9554 -24.622 -34.8853 -25.9637 -2.64897 TIMING: 1331200 CPU: 4156.22, 0.00315357/step Wall: 4156.22, 0.00315357/step, 3.21384 hours remaining, 233.539062 MB of memory in use. ENERGY: 1331200 4039.7194 20472.0972 14445.3290 239.9012 -203108.9204 2681.2108 0.0000 0.0000 51819.4471 -109411.2158 297.8071 -161230.6629 -109044.2916 298.8101 18.0683 45.5955 763321.0738 -11.0140 -10.9626 PRESSURE: 1331400 -327.683 93.7406 -0.780256 93.7407 194.739 98.5292 -0.780457 98.53 -2.99568 GPRESSURE: 1331400 -214.897 202.312 6.55242 39.3113 170.594 148.634 3.93142 134.911 9.1047 PRESSAVG: 1331400 16.1854 -5.53178 -47.6226 -5.53181 -24.6513 -20.0624 -47.6226 -20.0624 1.00615 GPRESSAVG: 1331400 17.5596 -5.23575 -47.2035 -8.31161 -25.8004 -21.9191 -50.1803 -19.2617 1.34875 TIMING: 1331400 CPU: 4156.85, 0.00315781/step Wall: 4156.85, 0.00315781/step, 3.21798 hours remaining, 233.539062 MB of memory in use. ENERGY: 1331400 3900.2732 20605.1173 14425.7715 257.5414 -203647.2666 3112.6717 0.0000 0.0000 51820.1465 -109525.7450 297.8111 -161345.8916 -109160.1992 298.5055 -45.3131 -11.7329 762908.3816 -2.4866 -2.2973 PRESSURE: 1331600 72.5265 -60.2457 -190.954 -60.246 -80.109 -60.3029 -190.953 -60.3015 -286.999 GPRESSURE: 1331600 47.3165 -94.1689 -263.477 -4.06455 14.6256 -98.3595 -111.917 51.92 -281.359 PRESSAVG: 1331600 11.7639 -16.0215 -56.9276 -16.0215 2.40774 -39.7542 -56.9277 -39.7541 -10.3338 GPRESSAVG: 1331600 11.5558 -15.5256 -58.1821 -13.7642 3.33918 -39.0664 -57.9197 -40.4832 -10.0658 TIMING: 1331600 CPU: 4157.48, 0.00314297/step Wall: 4157.48, 0.00314297/step, 3.20268 hours remaining, 233.539062 MB of memory in use. ENERGY: 1331600 3967.2336 20580.6946 14446.7311 262.6847 -203538.4537 2716.9762 0.0000 0.0000 52184.9735 -109379.1599 299.9078 -161564.1334 -109017.7157 298.9237 -98.1937 -73.1391 761544.1149 1.2793 1.6097 PRESSURE: 1331800 -135.551 100.978 -48.498 100.978 -49.9768 -240.279 -48.4984 -240.28 -213.454 GPRESSURE: 1331800 -52.6067 163.333 -67.1985 168.838 -74.372 -237.568 7.04599 -226.261 -187.374 PRESSAVG: 1331800 51.6075 10.6113 7.68164 10.6113 -67.1125 -36.0181 7.6816 -36.018 12.84 GPRESSAVG: 1331800 52.1357 10.7374 9.59703 9.7503 -66.9061 -35.2026 6.35167 -37.8939 11.4722 TIMING: 1331800 CPU: 4158.11, 0.00314498/step Wall: 4158.11, 0.00314498/step, 3.20456 hours remaining, 233.539062 MB of memory in use. ENERGY: 1331800 3956.0451 20511.5671 14489.1753 255.7058 -203354.3640 2788.8294 0.0000 0.0000 52131.7666 -109221.2747 299.6020 -161353.0413 -108865.7358 298.9668 -132.9939 -104.7842 762854.0424 -0.8883 -1.0994 PRESSURE: 1332000 195.966 -168.213 63.1197 -168.213 10.0679 -34.9764 63.1206 -34.9757 76.8498 GPRESSURE: 1332000 171.492 -183.758 70.4985 -177.46 88.8279 6.79459 28.6505 13.92 126.255 PRESSAVG: 1332000 83.3891 -44.2012 -20.3033 -44.2012 -90.0816 15.9349 -20.3033 15.935 -12.2622 GPRESSAVG: 1332000 83.5397 -43.3277 -22.2263 -45.793 -89.8316 16.0269 -18.321 17.4588 -12.4557 TIMING: 1332000 CPU: 4158.73, 0.00314176/step Wall: 4158.73, 0.00314175/step, 3.2011 hours remaining, 233.539062 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: 1332000 4109.9473 20584.2935 14493.4733 251.0999 -203458.4495 2772.3258 0.0000 0.0000 52016.1126 -109231.1971 298.9373 -161247.3097 -108865.3294 299.7729 94.2946 128.8581 760774.7989 -6.3183 -6.2492 PRESSURE: 1332200 -2.71043 -39.843 -231.059 -39.8426 -341.414 314.459 -231.058 314.459 -583.174 GPRESSURE: 1332200 -65.3451 -33.4608 -151.297 -129.193 -269.495 269.06 -213.503 268.601 -519.685 PRESSAVG: 1332200 60.5617 10.6575 -15.031 10.6574 -0.922081 1.99687 -15.031 1.99694 1.05311 GPRESSAVG: 1332200 58.6979 11.1329 -14.342 10.4207 -0.158563 1.48026 -15.6938 3.13967 1.73545 TIMING: 1332200 CPU: 4159.36, 0.00313945/step Wall: 4159.36, 0.00313945/step, 3.19858 hours remaining, 233.539062 MB of memory in use. ENERGY: 1332200 4091.6888 20639.9208 14475.0143 253.4309 -203122.1991 2419.9857 0.0000 0.0000 52246.9481 -108995.2104 300.2639 -161242.1585 -108639.9031 300.0450 -309.0994 -284.8414 761845.4960 20.2309 20.0916 LDB: ============= START OF LOAD BALANCING ============== 4171.84 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4171.84 LDB: =============== DONE WITH MIGRATION ================ 4171.85 LDB: ============= START OF LOAD BALANCING ============== 4172.16 LDB: Largest compute 6984 load 0.031594 is 16.2% of average load 0.195174 LDB: Average compute 0.004362 is 2.2% of average load 0.195174 LDB: TIME 4172.16 LOAD: AVG 0.195174 MAX 0.214004 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.82 MB LDB: TIME 4172.16 LOAD: AVG 0.195174 MAX 0.214004 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.82 MB LDB: TIME 4172.17 LOAD: AVG 0.195174 MAX 0.214004 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.82 MB LDB: ============== END OF LOAD BALANCING =============== 4172.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4172.17 PRESSURE: 1332400 -250.485 82.192 106.323 82.1918 3.94711 139.92 106.324 139.92 242.52 GPRESSURE: 1332400 -177.957 1.79014 -33.918 92.6337 69.8133 124.623 140.627 155.415 183.577 PRESSAVG: 1332400 31.4246 4.99974 -2.94073 4.99975 -54.9259 -5.88969 -2.94066 -5.88969 4.40264 GPRESSAVG: 1332400 32.8044 2.1515 -3.8856 6.24428 -55.5138 -5.06599 -2.95869 -6.14611 3.59709 TIMING: 1332400 CPU: 4160.01, 0.00322262/step Wall: 4160.01, 0.00322262/step, 3.28313 hours remaining, 234.820312 MB of memory in use. ENERGY: 1332400 3980.3078 20697.3855 14502.5985 265.7998 -203609.4725 2891.1931 0.0000 0.0000 52080.2675 -109191.9203 299.3060 -161272.1877 -108840.6204 299.8132 -1.3393 25.1444 761350.8112 -6.3662 -6.3707 PRESSURE: 1332600 0.525145 179.092 126.511 179.092 -181.4 171.57 126.512 171.57 310.026 GPRESSURE: 1332600 227.178 105.862 146.034 155.257 -265.342 190.139 169.871 87.8892 249.819 PRESSAVG: 1332600 57.7012 18.0414 -32.0283 18.0413 -27.615 10.296 -32.0284 10.296 -6.01757 GPRESSAVG: 1332600 56.9881 19.5574 -30.0863 17.1786 -26.2551 11.0113 -34.0537 10.1644 -6.42292 TIMING: 1332600 CPU: 4160.64, 0.0031487/step Wall: 4160.64, 0.0031487/step, 3.20765 hours remaining, 235.023438 MB of memory in use. ENERGY: 1332600 4059.4906 20641.6407 14487.2375 263.5572 -203637.8764 2889.5792 0.0000 0.0000 51959.5983 -109336.7729 298.6125 -161296.3712 -108979.3036 298.9011 43.0501 70.5516 762318.6064 8.0229 8.1034 PRESSURE: 1332800 -47.2885 210.473 -233.633 210.473 236.215 118.779 -233.632 118.778 35.7925 GPRESSURE: 1332800 -53.9026 279.519 -162.705 167.605 235.459 -21.372 -285.124 120.385 121.499 PRESSAVG: 1332800 9.29936 45.4417 2.06579 45.4416 15.5221 -102.77 2.06575 -102.77 -5.20602 GPRESSAVG: 1332800 10.4369 44.6081 1.50375 45.4244 12.8094 -103.714 3.6778 -103.772 -3.54411 TIMING: 1332800 CPU: 4161.27, 0.00316445/step Wall: 4161.27, 0.00316445/step, 3.22352 hours remaining, 235.023438 MB of memory in use. ENERGY: 1332800 3936.0834 20602.2438 14532.3866 238.6784 -203441.0211 2706.4005 0.0000 0.0000 51834.8234 -109590.4050 297.8954 -161425.2285 -109227.1372 298.6818 74.9064 101.0185 762923.4323 6.5385 6.5674 PRESSURE: 1333000 -22.7625 -196.623 -143.164 -196.623 -404.983 -288.078 -143.164 -288.077 -369.917 GPRESSURE: 1333000 28.4956 -77.4512 -95.313 -245.881 -353.095 -198.009 -99.4979 -258.168 -390.817 PRESSAVG: 1333000 -65.9899 39.3787 -40.8391 39.3788 45.6371 -27.0558 -40.8391 -27.0558 -11.5113 GPRESSAVG: 1333000 -65.329 40.2456 -41.3205 40.0716 45.6598 -27.5002 -40.2331 -28.1319 -11.723 TIMING: 1333000 CPU: 4161.9, 0.00316605/step Wall: 4161.9, 0.00316605/step, 3.22497 hours remaining, 235.023438 MB of memory in use. ENERGY: 1333000 3952.7024 20565.7837 14497.9515 246.5136 -203461.3995 2679.8081 0.0000 0.0000 51808.7604 -109709.8799 297.7457 -161518.6403 -109343.4713 298.2472 -265.8875 -238.4723 762227.8352 -10.6213 -10.4641 PRESSURE: 1333200 -118.6 98.5082 -32.6373 98.5079 141.205 -138.544 -32.6373 -138.545 -97.2304 GPRESSURE: 1333200 5.53989 222.567 -65.8288 115.061 74.004 -61.8468 -117.905 17.0206 -67.8599 PRESSAVG: 1333200 34.0638 49.8248 -17.4163 49.8248 -47.2778 -76.4549 -17.4163 -76.4549 21.5526 GPRESSAVG: 1333200 32.8642 50.1431 -17.3144 49.5544 -47.0591 -77.8506 -18.0908 -73.3019 22.5668 TIMING: 1333200 CPU: 4162.53, 0.00316023/step Wall: 4162.53, 0.00316023/step, 3.21887 hours remaining, 235.023438 MB of memory in use. ENERGY: 1333200 4049.1038 20681.1744 14483.2072 240.2824 -203568.5789 2763.6416 0.0000 0.0000 51678.3137 -109672.8558 296.9960 -161351.1695 -109304.0017 298.3706 -24.8752 3.8947 761847.5063 2.7795 2.7906 PRESSURE: 1333400 -196.381 -296.334 -35.455 -296.334 -373.476 261.877 -35.4541 261.876 -367.55 GPRESSURE: 1333400 -182.215 -334.953 -82.8296 -203.873 -203.603 317.73 -24.3109 141.831 -473.728 PRESSAVG: 1333400 8.2645 -4.68241 -25.4575 -4.68242 -8.42604 -33.3822 -25.4575 -33.3823 17.6958 GPRESSAVG: 1333400 7.93734 -6.71272 -26.536 -3.42919 -6.57319 -31.1581 -25.288 -34.5247 16.0809 TIMING: 1333400 CPU: 4163.16, 0.00315031/step Wall: 4163.16, 0.00315031/step, 3.20859 hours remaining, 235.023438 MB of memory in use. ENERGY: 1333400 4046.3153 20343.4477 14476.9905 249.9410 -203391.3687 2733.4187 0.0000 0.0000 52101.9573 -109439.2982 299.4307 -161541.2555 -109077.7264 298.4421 -312.4693 -286.5153 762636.8292 5.8448 5.8150 PRESSURE: 1333600 -262.878 39.6157 76.5336 39.6149 -215.052 -80.5643 76.5346 -80.563 -371.056 GPRESSURE: 1333600 -284.007 54.8862 90.4296 20.1866 -174.188 -105.025 -70.5694 -73.4252 -337.476 PRESSAVG: 1333600 -15.3163 11.5079 13.0318 11.508 16.2803 -52.0942 13.0318 -52.0943 2.10019 GPRESSAVG: 1333600 -14.5513 13.6557 14.016 10.3298 15.4561 -51.9907 14.7186 -52.1185 2.204 TIMING: 1333600 CPU: 4163.79, 0.00312972/step Wall: 4163.79, 0.00312972/step, 3.18745 hours remaining, 235.023438 MB of memory in use. ENERGY: 1333600 4062.9315 20520.7174 14402.6676 269.7257 -203176.8297 2592.2983 0.0000 0.0000 52086.3468 -109242.1423 299.3410 -161328.4891 -108886.1052 299.1707 -282.9953 -265.2237 763597.1154 1.0214 1.0363 PRESSURE: 1333800 -192.974 -135.45 -58.4062 -135.45 -153.83 -133.982 -58.4065 -133.984 -142.74 GPRESSURE: 1333800 -177.486 -61.972 33.1752 -120.359 -76.6559 -14.3141 -75.0155 -166.367 -152.762 PRESSAVG: 1333800 2.01867 45.6429 23.4611 45.6429 43.4322 -14.4247 23.4611 -14.4248 -6.9494 GPRESSAVG: 1333800 0.474422 43.568 24.1446 47.4226 44.7031 -15.6328 24.7801 -14.2338 -6.1392 TIMING: 1333800 CPU: 4164.42, 0.00315257/step Wall: 4164.42, 0.00315257/step, 3.21054 hours remaining, 235.023438 MB of memory in use. ENERGY: 1333800 4010.4483 20617.2714 14462.1714 241.6920 -203077.2721 2561.7852 0.0000 0.0000 51768.5818 -109415.3220 297.5148 -161183.9038 -109055.9158 299.2209 -163.1812 -135.6347 764217.0993 12.8338 13.0128 PRESSURE: 1334000 -319.799 201.711 106.798 201.711 4.49885 -177.516 106.798 -177.516 -167.303 GPRESSURE: 1334000 -259.254 76.7797 72.1431 102.354 23.9366 -227.91 120.006 -136.501 -137.041 PRESSAVG: 1334000 -10.5204 15.4898 -9.5864 15.4897 -24.7583 -52.0113 -9.58648 -52.0113 2.29241 GPRESSAVG: 1334000 -9.75777 15.7144 -9.87173 14.3317 -25.437 -52.8513 -10.4673 -50.253 2.34866 TIMING: 1334000 CPU: 4165.05, 0.00315795/step Wall: 4165.05, 0.00315795/step, 3.21585 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1334000 3992.9739 20441.0269 14443.1599 244.2466 -203563.1079 2930.2634 0.0000 0.0000 52006.6079 -109504.8293 298.8827 -161511.4372 -109137.2462 298.4927 -160.8676 -124.1196 762716.8974 -10.9954 -10.9487 PRESSURE: 1334200 19.3538 271.278 -92.2819 271.279 325.094 -165.679 -92.2813 -165.679 -40.101 GPRESSURE: 1334200 -8.05934 226.619 -110.019 126.46 451.075 -86.4935 -89.2158 -87.6376 -47.9652 PRESSAVG: 1334200 -37.3411 68.1596 -17.0581 68.1596 29.9043 -21.9026 -17.0581 -21.9026 -0.620187 GPRESSAVG: 1334200 -36.6344 68.122 -16.804 67.1998 29.4093 -20.4125 -20.7609 -22.1734 -0.913717 TIMING: 1334200 CPU: 4165.68, 0.00315305/step Wall: 4165.68, 0.00315305/step, 3.21068 hours remaining, 235.023438 MB of memory in use. ENERGY: 1334200 3971.4397 20580.1862 14423.9522 245.0194 -203358.6503 2711.5714 0.0000 0.0000 52090.9922 -109335.4891 299.3676 -161426.4813 -108969.3183 298.9384 101.4489 131.6836 760455.2106 -2.6857 -2.7129 PRESSURE: 1334400 90.7903 121.91 -36.2495 121.911 63.5404 -81.0973 -36.2494 -81.0971 -20.7662 GPRESSURE: 1334400 75.6191 105.58 29.9564 254.867 83.6952 5.0051 -148.209 -184.882 31.8037 PRESSAVG: 1334400 9.82464 14.5934 -0.731174 14.5934 4.15286 -7.87434 -0.73119 -7.87438 -11.8782 GPRESSAVG: 1334400 10.9606 15.4707 -2.77624 15.4786 4.24323 -8.424 2.54021 -8.2483 -11.9671 TIMING: 1334400 CPU: 4166.31, 0.00315092/step Wall: 4166.31, 0.00315092/step, 3.20833 hours remaining, 235.023438 MB of memory in use. ENERGY: 1334400 3989.1864 20597.6866 14510.6676 238.2945 -203365.0063 2722.9076 0.0000 0.0000 52006.9615 -109299.3021 298.8847 -161306.2636 -108934.6611 299.2706 44.5215 63.7060 762917.2414 0.6998 1.0789 PRESSURE: 1334600 188.356 129.432 -50.7348 129.432 280.246 156.392 -50.735 156.392 741.62 GPRESSURE: 1334600 266.273 149.304 70.9477 50.4273 253.791 220.695 11.6002 180.871 785.932 PRESSAVG: 1334600 -15.5559 57.6072 -21.3294 57.6071 36.9745 6.18721 -21.3294 6.18721 7.75734 GPRESSAVG: 1334600 -16.4346 55.3452 -18.6031 58.2256 37.3498 7.52049 -22.5716 5.69346 8.02373 TIMING: 1334600 CPU: 4166.95, 0.00316987/step Wall: 4166.95, 0.00316987/step, 3.22746 hours remaining, 235.023438 MB of memory in use. ENERGY: 1334600 4002.0837 20585.0812 14510.6824 248.1400 -203568.9065 2769.9330 0.0000 0.0000 51995.8812 -109457.1051 298.8210 -161452.9862 -109102.0175 299.2191 403.4070 435.3319 761056.8472 9.7253 9.6463 PRESSURE: 1334800 -196.079 -76.7603 -38.3262 -76.7602 106.037 51.9778 -38.3264 51.9782 388.04 GPRESSURE: 1334800 -55.4955 -27.6732 -115.944 -117.928 139.193 75.8837 -95.5994 56.19 306.924 PRESSAVG: 1334800 33.1462 -0.529022 11.4477 -0.529054 -61.0053 19.0332 11.4476 19.0332 -11.4785 GPRESSAVG: 1334800 33.1273 -0.0182169 10.0835 -1.44626 -61.7176 20.7547 12.5341 17.4161 -11.1031 TIMING: 1334800 CPU: 4167.58, 0.00315736/step Wall: 4167.58, 0.00315736/step, 3.21455 hours remaining, 235.023438 MB of memory in use. ENERGY: 1334800 3963.4135 20592.5208 14388.2079 262.0009 -203621.9029 2826.5062 0.0000 0.0000 51918.7556 -109670.4980 298.3778 -161589.2536 -109320.2262 298.4563 99.3326 130.2071 762792.9165 -13.1125 -13.2311 PRESSURE: 1335000 -356.693 86.4865 -146.82 86.4867 -363.889 -28.1318 -146.82 -28.132 -180.268 GPRESSURE: 1335000 -248.328 103.167 -213.779 -74.7143 -352.014 -101.29 -188.516 41.8029 -220.212 PRESSAVG: 1335000 -22.9167 80.8754 -14.1447 80.8754 56.1786 -24.6211 -14.1447 -24.621 8.22641 GPRESSAVG: 1335000 -22.1368 81.1028 -15.0718 79.7147 56.8138 -26.0582 -14.9004 -23.6206 6.99358 TIMING: 1335000 CPU: 4168.21, 0.0031429/step Wall: 4168.21, 0.0031429/step, 3.19965 hours remaining, 235.023438 MB of memory in use. ENERGY: 1335000 3941.5824 20456.4316 14355.0519 267.3769 -202961.2104 2542.2816 0.0000 0.0000 51731.6694 -109666.8166 297.3026 -161398.4859 -109310.3467 298.5679 -300.2833 -273.5179 763659.6511 13.8294 13.8902 PRESSURE: 1335200 -10.9415 39.808 124.622 39.8076 150.996 81.142 124.622 81.1421 45.6298 GPRESSURE: 1335200 -29.5616 65.6315 138.369 15.566 226.242 109.888 61.956 -8.65561 88.3122 PRESSAVG: 1335200 20.1013 48.5751 2.47093 48.5751 -8.25872 28.9711 2.47095 28.9712 -8.25833 GPRESSAVG: 1335200 18.3515 48.7932 4.31626 50.1086 -7.66321 28.2797 1.8909 28.4861 -6.93501 TIMING: 1335200 CPU: 4168.83, 0.00313439/step Wall: 4168.83, 0.00313439/step, 3.19081 hours remaining, 235.023438 MB of memory in use. ENERGY: 1335200 3934.0439 20605.0296 14452.4478 244.6119 -203682.5859 3123.0114 0.0000 0.0000 51793.8851 -109529.5562 297.6602 -161323.4413 -109174.2144 298.5051 61.8946 94.9974 763068.6402 1.1947 1.2511 PRESSURE: 1335400 17.188 -1.44069 -132.79 -1.44073 -68.9111 129.415 -132.79 129.415 279.258 GPRESSURE: 1335400 20.6356 -60.4289 -91.2727 54.1514 -90.8629 118.927 -179.079 160.226 385.166 PRESSAVG: 1335400 -42.0427 -33.2725 -13.8138 -33.2726 -10.815 -31.09 -13.8137 -31.0901 -4.22884 GPRESSAVG: 1335400 -40.0592 -32.1779 -15.124 -34.5805 -11.7155 -31.2142 -12.8684 -30.9211 -4.70081 TIMING: 1335400 CPU: 4169.46, 0.00314723/step Wall: 4169.46, 0.00314723/step, 3.2037 hours remaining, 235.023438 MB of memory in use. ENERGY: 1335400 3964.9543 20573.9328 14425.0613 244.4438 -203616.0468 3082.2029 0.0000 0.0000 52195.0076 -109130.4440 299.9654 -161325.4516 -108763.4550 299.1549 75.8450 104.9795 763093.5768 -19.0289 -18.8252 PRESSURE: 1335600 -111.858 -66.838 194.523 -66.8379 -8.13495 -40.148 194.522 -40.1471 -383.251 GPRESSURE: 1335600 -152.674 -118.016 165.475 -93.695 79.4698 -15.4635 160.668 56.8901 -336.039 PRESSAVG: 1335600 31.1566 -13.213 -7.24386 -13.2129 -32.4564 -21.9497 -7.24377 -21.9498 5.35132 GPRESSAVG: 1335600 29.0326 -15.1871 -6.24929 -11.5859 -31.7332 -21.6771 -7.65188 -20.1341 6.56669 TIMING: 1335600 CPU: 4170.09, 0.00313163/step Wall: 4170.09, 0.00313163/step, 3.18765 hours remaining, 235.023438 MB of memory in use. ENERGY: 1335600 4004.7136 20570.0158 14453.8907 257.1822 -202825.9105 2769.7542 0.0000 0.0000 51838.2406 -108932.1134 297.9151 -160770.3540 -108577.1233 299.5169 -167.7481 -136.4146 764288.6550 1.3505 1.2887 PRESSURE: 1335800 55.4835 149.248 147.777 149.247 -190.555 -56.6309 147.776 -56.6304 -196.39 GPRESSURE: 1335800 81.1991 93.0063 231.756 163.554 -179.056 -148.092 158.453 -112.987 -165.461 PRESSAVG: 1335800 3.46094 61.0079 40.0857 61.0079 -26.6485 -27.3308 40.0857 -27.331 -4.9352 GPRESSAVG: 1335800 4.56573 61.3399 40.0896 60.674 -26.6449 -26.2249 41.6621 -30.0917 -6.9596 TIMING: 1335800 CPU: 4170.72, 0.00313606/step Wall: 4170.72, 0.00313606/step, 3.19199 hours remaining, 235.023438 MB of memory in use. ENERGY: 1335800 4060.4974 20613.7141 14434.8421 229.0848 -203212.8310 2851.1477 0.0000 0.0000 52101.8505 -108921.6945 299.4301 -161023.5449 -108561.9822 299.5020 -110.4870 -87.7725 765480.0219 -9.3742 -9.6796 PRESSURE: 1336000 220.873 277.654 -53.1928 277.655 266.111 8.84806 -53.1928 8.84744 198.405 GPRESSURE: 1336000 352.122 289.507 -66.6104 270.561 253.031 -38.9986 -33.5546 -1.90153 183.199 PRESSAVG: 1336000 29.4677 7.38243 12.8106 7.38243 23.3688 -14.7278 12.8105 -14.7278 21.2863 GPRESSAVG: 1336000 29.1907 8.44635 13.2202 7.35603 23.4508 -16.6477 12.1289 -12.1899 21.6779 TIMING: 1336000 CPU: 4171.34, 0.00313679/step Wall: 4171.34, 0.00313679/step, 3.19255 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1336000 3970.3702 20495.1338 14524.2147 263.8946 -203242.6898 3056.3819 0.0000 0.0000 51887.2685 -109045.4262 298.1968 -160932.6947 -108683.3321 299.7616 228.4629 262.7836 763512.1438 24.7076 24.7731 PRESSURE: 1336200 64.3916 94.31 31.6215 94.3099 -157.685 363.119 31.6218 363.119 267.751 GPRESSURE: 1336200 184.512 156.078 -38.6138 115.739 -190.657 315.846 -40.3926 402.6 248.012 PRESSAVG: 1336200 61.3254 69.1351 39.8548 69.135 -38.4785 15.5338 39.8548 15.5338 14.9165 GPRESSAVG: 1336200 60.9424 69.848 37.0507 67.6561 -39.5543 17.3604 39.2875 15.8045 15.9377 TIMING: 1336200 CPU: 4171.97, 0.00313953/step Wall: 4171.97, 0.00313953/step, 3.19517 hours remaining, 235.023438 MB of memory in use. ENERGY: 1336200 3995.1209 20556.1584 14366.4889 242.5848 -203672.5781 3064.9430 0.0000 0.0000 52218.7536 -109228.5285 300.1019 -161447.2821 -108867.6050 299.0120 58.1525 80.6223 762105.4338 12.5878 12.4419 LDB: ============= START OF LOAD BALANCING ============== 4184.45 LDB: ============== END OF LOAD BALANCING =============== 4184.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4184.46 LDB: ============= START OF LOAD BALANCING ============== 4184.77 LDB: Largest compute 6983 load 0.030005 is 15.4% of average load 0.195062 LDB: Average compute 0.004368 is 2.2% of average load 0.195062 LDB: TIME 4184.77 LOAD: AVG 0.195062 MAX 0.212998 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.055 MB LDB: TIME 4184.78 LOAD: AVG 0.195062 MAX 0.212998 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.055 MB LDB: TIME 4184.78 LOAD: AVG 0.195062 MAX 0.212998 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.055 MB LDB: ============== END OF LOAD BALANCING =============== 4184.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4184.78 PRESSURE: 1336400 297.967 -61.7148 71.2736 -61.7133 43.344 -200.78 71.2732 -200.78 -180.296 GPRESSURE: 1336400 315.11 -12.177 102.269 -93.5855 40.3774 -154.663 126.811 -228.48 -111.279 PRESSAVG: 1336400 63.5236 36.1184 75.1427 36.1184 -101.663 65.5994 75.1426 65.5994 7.53044 GPRESSAVG: 1336400 64.025 34.3642 75.0746 37.2494 -102.239 65.4774 75.9972 62.7068 7.42055 TIMING: 1336400 CPU: 4172.62, 0.00321863/step Wall: 4172.62, 0.00321863/step, 3.27549 hours remaining, 234.308594 MB of memory in use. ENERGY: 1336400 3953.4581 20626.9321 14464.7244 242.9885 -203704.3589 2951.7390 0.0000 0.0000 52060.7252 -109403.7914 299.1937 -161464.5167 -109034.9589 298.8969 53.6717 81.4028 761686.3571 -10.2029 -10.2643 PRESSURE: 1336600 -66.8369 62.7478 -84.3902 62.748 -181.545 -48.5024 -84.3894 -48.5024 136.102 GPRESSURE: 1336600 18.5393 134.832 -47.8884 93.8608 -161.379 -101.617 -54.7496 13.2994 120.161 PRESSAVG: 1336600 48.4299 44.0428 17.0036 44.0429 -34.4688 -1.39397 17.0036 -1.39396 4.06607 GPRESSAVG: 1336600 48.4779 45.6718 19.3962 44.6645 -32.5431 -2.34543 15.1496 3.24393 1.93642 TIMING: 1336600 CPU: 4173.24, 0.00313794/step Wall: 4173.24, 0.00313794/step, 3.19321 hours remaining, 234.308594 MB of memory in use. ENERGY: 1336600 3980.0397 20654.1460 14458.9991 254.6725 -203323.5086 2797.0207 0.0000 0.0000 52038.4904 -109140.1402 299.0659 -161178.6306 -108790.3230 299.3932 -37.4266 -7.5595 763159.1039 6.0091 5.9571 PRESSURE: 1336800 136.36 19.8451 -75.2166 19.8452 9.15823 -118.638 -75.2171 -118.638 117.044 GPRESSURE: 1336800 51.6415 42.2284 -58.1322 51.013 125.274 -81.6043 -19.129 -175.089 180.311 PRESSAVG: 1336800 57.5846 19.3809 -41.2836 19.3809 -49.2017 16.6455 -41.2836 16.6454 -16.393 GPRESSAVG: 1336800 57.3243 19.3718 -41.8742 20.9678 -50.0515 14.9151 -40.0111 13.2264 -15.4255 TIMING: 1336800 CPU: 4173.87, 0.00313843/step Wall: 4173.87, 0.00313843/step, 3.19352 hours remaining, 234.308594 MB of memory in use. ENERGY: 1336800 4021.5512 20426.7690 14435.7984 243.1670 -203684.7061 2923.8779 0.0000 0.0000 52365.2246 -109268.3179 300.9437 -161633.5426 -108910.8740 299.7805 87.5206 119.0756 760774.6738 -2.6700 -2.7176 PRESSURE: 1337000 -40.708 112.605 -81.7868 112.606 162.536 262.099 -81.7867 262.098 180.202 GPRESSURE: 1337000 -17.7766 116.386 -42.3035 54.7163 215.783 276.891 -92.1702 197.377 202.733 PRESSAVG: 1337000 2.16229 -8.57615 21.8808 -8.57618 -42.5187 19.2065 21.8807 19.2065 -11.4111 GPRESSAVG: 1337000 4.49104 -7.64188 22.1191 -11.1091 -43.8497 22.2446 22.0154 19.4129 -12.3656 TIMING: 1337000 CPU: 4174.5, 0.00315711/step Wall: 4174.5, 0.00315711/step, 3.21236 hours remaining, 234.308594 MB of memory in use. ENERGY: 1337000 3945.7708 20529.9564 14368.8959 235.0920 -203197.1446 2530.3619 0.0000 0.0000 52148.3998 -109438.6677 299.6976 -161587.0675 -109078.5383 299.1603 100.6767 133.5799 762609.5783 -17.2558 -17.2414 PRESSURE: 1337200 352.502 -95.8691 131.518 -95.8699 427.273 310.032 131.518 310.031 485.714 GPRESSURE: 1337200 328.548 -65.4812 196.204 -56.6894 427.461 161.709 37.6691 160.089 584.034 PRESSAVG: 1337200 -56.6844 25.8101 16.594 25.8101 16.5985 -15.1252 16.594 -15.1254 -7.07413 GPRESSAVG: 1337200 -59.3941 24.808 17.3317 26.4034 17.632 -16.9903 17.1647 -14.9707 -5.66466 TIMING: 1337200 CPU: 4175.13, 0.00314979/step Wall: 4175.13, 0.00314979/step, 3.20474 hours remaining, 234.308594 MB of memory in use. ENERGY: 1337200 3958.2434 20489.3614 14446.2060 257.7523 -203555.1765 3071.3541 0.0000 0.0000 51851.9321 -109480.3272 297.9938 -161332.2593 -109130.1453 298.6101 421.8295 446.6812 762415.0788 -15.7200 -15.8089 PRESSURE: 1337400 -133.049 93.9297 7.33361 93.9295 -118.202 5.11699 7.33345 5.11541 3.612 GPRESSURE: 1337400 -45.8447 54.7723 -47.8846 -12.3054 -138.671 40.5544 112.386 -23.1875 23.4114 PRESSAVG: 1337400 -57.548 -5.7787 7.67411 -5.77874 11.9274 -19.4104 7.67417 -19.4104 7.88349 GPRESSAVG: 1337400 -55.7194 -6.7047 7.64814 -4.33158 11.0532 -17.7895 5.48409 -19.6957 6.49525 TIMING: 1337400 CPU: 4175.76, 0.00314222/step Wall: 4175.76, 0.00314222/step, 3.19686 hours remaining, 234.308594 MB of memory in use. ENERGY: 1337400 3907.3168 20541.7014 14479.4458 240.5128 -203434.3489 2768.8078 0.0000 0.0000 51942.9520 -109553.6124 298.5169 -161496.5644 -109194.8278 298.8857 -82.5464 -53.7015 762178.2197 -12.5790 -12.7236 PRESSURE: 1337600 -312.893 41.5857 -35.3511 41.586 -197.566 -253.53 -35.3506 -253.531 -52.6289 GPRESSURE: 1337600 -262.197 47.2419 -65.884 108.412 -135.114 -231.055 -35.8665 -190.325 -89.8184 PRESSAVG: 1337600 3.45899 -28.4421 -62.9996 -28.4421 24.8965 -82.6297 -62.9996 -82.6296 5.28648 GPRESSAVG: 1337600 3.55961 -27.4252 -65.2751 -28.4307 24.6849 -82.5996 -62.1551 -82.0473 5.23892 TIMING: 1337600 CPU: 4176.39, 0.00314546/step Wall: 4176.39, 0.00314546/step, 3.19998 hours remaining, 234.308594 MB of memory in use. ENERGY: 1337600 3953.3183 20534.1109 14410.5624 256.7615 -202943.9128 2575.8080 0.0000 0.0000 51846.9345 -109366.4172 297.9650 -161213.3517 -109003.2141 299.1219 -187.6962 -162.3766 763349.3593 11.2140 11.1611 PRESSURE: 1337800 67.5234 45.4815 -202.693 45.4825 162.093 -46.7699 -202.693 -46.7706 18.761 GPRESSURE: 1337800 73.2207 -56.5583 -167.07 -31.1118 230.502 -135.925 -198.125 -90.8836 27.0993 PRESSAVG: 1337800 32.9699 -36.8171 5.65498 -36.817 25.0372 -36.3956 5.655 -36.3956 -3.3056 GPRESSAVG: 1337800 32.7636 -37.0542 7.56963 -37.0977 25.3242 -38.5455 3.6636 -35.246 -2.8955 TIMING: 1337800 CPU: 4177.02, 0.00314043/step Wall: 4177.02, 0.00314043/step, 3.19469 hours remaining, 234.308594 MB of memory in use. ENERGY: 1337800 3962.1478 20433.9156 14460.0269 263.3196 -203677.2845 3051.8177 0.0000 0.0000 52095.0991 -109410.9576 299.3913 -161506.0567 -109048.8167 299.2093 82.7924 110.2741 761360.4367 18.2338 18.3974 PRESSURE: 1338000 85.014 42.7541 -45.2496 42.7537 -118.026 -50.0249 -45.2486 -50.0238 -296.653 GPRESSURE: 1338000 18.4351 146.704 56.9464 5.06601 -54.7097 -61.5358 -39.3971 -57.9833 -215.158 PRESSAVG: 1338000 -11.3584 36.1067 48.1096 36.1067 53.0474 -39.8432 48.1097 -39.8431 10.6096 GPRESSAVG: 1338000 -12.1537 36.8353 48.936 37.2488 53.7586 -38.5449 49.0833 -40.3498 10.6526 TIMING: 1338000 CPU: 4177.65, 0.00314574/step Wall: 4177.65, 0.00314574/step, 3.19991 hours remaining, 234.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1338000 4007.0649 20430.5784 14499.3062 239.5746 -203319.7845 2657.4143 0.0000 0.0000 52026.9704 -109458.8759 298.9997 -161485.8463 -109092.5823 298.2590 -109.8883 -83.8107 761519.6719 17.4329 17.4192 PRESSURE: 1338200 -29.9579 -72.6976 103.181 -72.6982 -1.3022 -274.712 103.181 -274.713 13.864 GPRESSURE: 1338200 94.6091 -175.693 121.423 -118.746 -61.7999 -261.612 65.0945 -266.428 51.0104 PRESSAVG: 1338200 -7.39824 7.48392 17.6504 7.48396 35.0562 -96.6349 17.6504 -96.635 18.1306 GPRESSAVG: 1338200 -5.86772 5.39215 17.1892 4.82098 33.8972 -97.0574 18.6705 -96.5321 18.2199 TIMING: 1338200 CPU: 4178.28, 0.00314395/step Wall: 4178.28, 0.00314395/step, 3.19792 hours remaining, 234.308594 MB of memory in use. ENERGY: 1338200 4009.1176 20427.1373 14365.1007 245.8152 -202955.1371 2620.7795 0.0000 0.0000 51955.9234 -109331.2636 298.5914 -161287.1869 -108971.4911 298.5534 -5.7987 27.9399 763457.7228 15.2628 15.4165 PRESSURE: 1338400 -56.6439 -258.075 -53.8815 -258.075 -205.407 123.249 -53.8813 123.249 114.378 GPRESSURE: 1338400 4.43077 -255.093 -61.9193 -282.343 -117.474 138.035 4.86359 -25.1829 54.5285 PRESSAVG: 1338400 58.036 -14.4478 36.5102 -14.4479 -68.4161 -31.8089 36.5102 -31.809 2.0176 GPRESSAVG: 1338400 57.9723 -13.585 35.0264 -12.7055 -69.1473 -32.432 37.941 -31.7123 2.26284 TIMING: 1338400 CPU: 4178.9, 0.0031411/step Wall: 4178.9, 0.0031411/step, 3.19485 hours remaining, 234.308594 MB of memory in use. ENERGY: 1338400 3964.3626 20445.4240 14483.4902 280.2999 -203294.8783 2785.0085 0.0000 0.0000 52164.4437 -109171.8492 299.7898 -161336.2930 -108811.6980 299.0457 -49.2243 -19.5048 763922.9483 -2.7875 -2.9707 PRESSURE: 1338600 -248.939 -114.512 20.4384 -114.512 -235.527 -47.9399 20.4388 -47.9393 324.603 GPRESSURE: 1338600 -233.46 -101.823 48.6942 -0.223653 -117.519 -84.1728 3.65984 -47.7729 267.482 PRESSAVG: 1338600 30.717 -60.0405 0.661104 -60.0405 -46.8889 13.0684 0.661137 13.0683 -12.5779 GPRESSAVG: 1338600 31.3347 -59.9093 1.42289 -59.929 -46.4703 13.5721 -2.13905 14.1662 -13.5362 TIMING: 1338600 CPU: 4179.53, 0.00313241/step Wall: 4179.53, 0.00313241/step, 3.18583 hours remaining, 234.308594 MB of memory in use. ENERGY: 1338600 4016.4502 20552.2939 14418.2556 253.3561 -203185.6818 2743.6076 0.0000 0.0000 52166.6127 -109035.1057 299.8022 -161201.7184 -108682.7520 299.5641 -53.2876 -27.8323 763331.5724 -9.5833 -9.5573 PRESSURE: 1338800 -55.5008 -135.318 -234.835 -135.319 158.457 -50.2479 -234.835 -50.2465 96.2094 GPRESSURE: 1338800 -23.2494 -55.3152 -299.464 -6.28572 181.955 -101.505 -126.018 -104.052 103.385 PRESSAVG: 1338800 48.4085 -33.2055 -50.255 -33.2055 -18.3312 -3.80797 -50.255 -3.80792 -13.638 GPRESSAVG: 1338800 47.0928 -32.7031 -49.3754 -33.8565 -17.5041 -4.53285 -49.4942 -4.92317 -13.3864 TIMING: 1338800 CPU: 4180.16, 0.00313457/step Wall: 4180.16, 0.00313456/step, 3.18785 hours remaining, 234.308594 MB of memory in use. ENERGY: 1338800 4039.6432 20495.4043 14446.2892 231.3485 -203033.4806 2793.4623 0.0000 0.0000 51952.7690 -109074.5640 298.5733 -161027.3330 -108716.7990 299.3302 66.3887 87.3637 762239.8118 5.4798 5.4008 PRESSURE: 1339000 -449.473 137.495 -11.3177 137.495 -218.642 157.92 -11.3165 157.92 199.957 GPRESSURE: 1339000 -438.776 130.924 -60.7064 119.241 -174.484 175.621 50.1154 232.31 219.251 PRESSAVG: 1339000 -12.0838 16.5674 -4.59558 16.5674 -21.1034 -8.1929 -4.59554 -8.19287 16.9546 GPRESSAVG: 1339000 -10.9395 16.7545 -5.13035 15.6664 -21.6913 -5.27898 -3.21588 -9.73484 16.8727 TIMING: 1339000 CPU: 4180.79, 0.00313989/step Wall: 4180.79, 0.0031399/step, 3.1931 hours remaining, 234.308594 MB of memory in use. ENERGY: 1339000 3922.6792 20487.3279 14429.5457 246.0722 -202792.0834 2571.7912 0.0000 0.0000 52184.7406 -108949.9266 299.9064 -161134.6672 -108578.9065 299.6761 -156.0527 -131.3368 763708.7417 -5.4108 -5.2527 PRESSURE: 1339200 24.5467 34.445 -22.767 34.4446 70.1975 -139.281 -22.7676 -139.281 -0.821896 GPRESSURE: 1339200 11.6984 22.906 -97.4598 37.4359 125.828 -154.392 -25.5369 -19.4544 25.5368 PRESSAVG: 1339200 8.70618 27.1578 -26.0043 27.1577 6.81974 -36.6277 -26.0044 -36.6277 -6.32316 GPRESSAVG: 1339200 8.30873 25.3849 -27.6975 28.7631 6.58822 -36.8865 -25.9356 -35.8144 -6.50326 TIMING: 1339200 CPU: 4181.42, 0.00315615/step Wall: 4181.42, 0.00315615/step, 3.20945 hours remaining, 234.308594 MB of memory in use. ENERGY: 1339200 4039.6926 20416.3900 14474.3775 233.0163 -203630.1801 2904.8106 0.0000 0.0000 52290.5741 -109271.3191 300.5146 -161561.8932 -108911.7201 299.6459 31.3074 54.3543 761491.1088 3.0676 2.7979 PRESSURE: 1339400 49.8643 83.6848 182.553 83.6846 -133.045 59.9074 182.554 59.9076 -25.9033 GPRESSURE: 1339400 -29.7833 163.6 231.538 -88.005 -0.0366923 -30.7808 209.438 51.3795 0.920091 PRESSAVG: 1339400 27.8349 10.1998 -18.8896 10.1998 6.15628 -11.6362 -18.8896 -11.6363 -13.298 GPRESSAVG: 1339400 27.9107 11.8602 -17.3692 8.85923 5.97585 -13.6199 -20.569 -10.5179 -12.889 TIMING: 1339400 CPU: 4182.05, 0.00315325/step Wall: 4182.05, 0.00315325/step, 3.20633 hours remaining, 234.308594 MB of memory in use. ENERGY: 1339400 4041.1870 20416.6680 14425.3487 236.3714 -202912.3850 2675.8576 0.0000 0.0000 52126.9422 -108990.0101 299.5743 -161116.9523 -108631.3913 299.4185 -36.3615 -9.6333 763460.7003 6.8977 6.9992 PRESSURE: 1339600 -203.605 61.1121 332.436 61.1118 -174.83 31.9684 332.436 31.9686 234.935 GPRESSURE: 1339600 -177.597 -9.59095 367.662 59.0761 -167.043 17.3285 348.258 -58.9806 272.164 PRESSAVG: 1339600 38.5756 27.5715 17.98 27.5715 -2.90271 -20.1973 17.98 -20.1973 -15.0502 GPRESSAVG: 1339600 38.3799 26.0308 18.059 28.6704 -3.45463 -18.4829 18.1025 -21.0515 -14.6454 TIMING: 1339600 CPU: 4182.68, 0.00315388/step Wall: 4182.68, 0.00315388/step, 3.2068 hours remaining, 234.308594 MB of memory in use. ENERGY: 1339600 3938.3886 20573.8498 14501.5850 255.8431 -202933.9631 2613.8058 0.0000 0.0000 52012.6013 -109037.8895 298.9171 -161050.4909 -108665.9836 300.1268 -47.8332 -24.1588 764135.3026 6.8742 6.7600 PRESSURE: 1339800 -36.6578 121.689 -222.87 121.689 -238.811 -156.314 -222.871 -156.315 -259.785 GPRESSURE: 1339800 -13.3416 148.143 -267.812 17.5779 -198.816 -156.967 -198.402 -141.08 -229.088 PRESSAVG: 1339800 -47.0956 46.3435 -0.212523 46.3435 32.8071 -9.28631 -0.212509 -9.28635 14.0563 GPRESSAVG: 1339800 -46.7495 48.2317 -0.0194821 44.5158 33.2096 -10.7348 1.79913 -8.97109 13.8202 TIMING: 1339800 CPU: 4183.31, 0.0031469/step Wall: 4183.31, 0.0031469/step, 3.19952 hours remaining, 234.308594 MB of memory in use. ENERGY: 1339800 3930.4801 20354.5609 14424.6119 231.9560 -202659.8021 2402.0832 0.0000 0.0000 52304.4638 -109011.6463 300.5945 -161316.1101 -108634.6349 299.9325 -178.4178 -147.0819 764969.6284 -0.0774 0.0934 PRESSURE: 1340000 -130.192 42.4284 186.673 42.4276 -113.435 -210.096 186.674 -210.096 -114.129 GPRESSURE: 1340000 -111.119 122.816 171.18 -14.6926 -83.4686 -284.015 178.769 -139.6 -80.7318 PRESSAVG: 1340000 13.9801 74.118 2.09185 74.1181 6.555 28.7362 2.09189 28.7362 -18.37 GPRESSAVG: 1340000 13.1228 73.8699 1.5375 74.1424 6.75753 28.6857 1.20392 27.2424 -17.6929 TIMING: 1340000 CPU: 4183.94, 0.00314016/step Wall: 4183.94, 0.00314016/step, 3.1925 hours remaining, 234.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1340000 3952.1423 20435.1920 14499.9739 245.4742 -202953.4461 2702.7183 0.0000 0.0000 52222.9228 -108895.0225 300.1259 -161117.9453 -108528.1159 299.1341 -119.2519 -91.7732 765677.4241 0.7217 0.7292 PRESSURE: 1340200 -208.12 48.1661 151.584 48.1666 127.182 173.462 151.583 173.463 104.024 GPRESSURE: 1340200 -116.437 -98.1989 142.011 -23.185 102.675 68.3088 82.8715 217.257 131.075 PRESSAVG: 1340200 3.54976 -10.9566 51.4864 -10.9566 25.9737 -59.5307 51.4864 -59.5307 1.74667 GPRESSAVG: 1340200 4.17766 -12.6741 51.7431 -9.03163 26.4122 -58.2479 49.482 -58.9335 0.957983 TIMING: 1340200 CPU: 4184.56, 0.00313923/step Wall: 4184.56, 0.00313923/step, 3.19137 hours remaining, 234.308594 MB of memory in use. ENERGY: 1340200 4082.5810 20460.8360 14442.6302 258.6336 -202996.1083 2699.8667 0.0000 0.0000 52205.0642 -108846.4966 300.0232 -161051.5608 -108491.8313 300.3561 7.6953 39.1042 763429.8927 10.4234 10.5159 LDB: ============= START OF LOAD BALANCING ============== 4197.04 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4197.04 LDB: =============== DONE WITH MIGRATION ================ 4197.05 LDB: ============= START OF LOAD BALANCING ============== 4197.36 LDB: Largest compute 6988 load 0.030852 is 15.8% of average load 0.195090 LDB: Average compute 0.004384 is 2.2% of average load 0.195090 LDB: TIME 4197.37 LOAD: AVG 0.19509 MAX 0.21512 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.949 MB LDB: TIME 4197.37 LOAD: AVG 0.19509 MAX 0.21512 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.949 MB LDB: TIME 4197.37 LOAD: AVG 0.19509 MAX 0.21512 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.949 MB LDB: ============== END OF LOAD BALANCING =============== 4197.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4197.37 PRESSURE: 1340400 -18.2405 -67.5231 98.4196 -67.5233 296.303 98.1592 98.4188 98.1599 208.865 GPRESSURE: 1340400 39.9182 -4.85043 102.032 -23.6337 284.59 283.663 158.597 34.2081 234.623 PRESSAVG: 1340400 9.32072 -15.0067 25.4292 -15.0068 -13.2469 -25.2499 25.4292 -25.25 -24.4382 GPRESSAVG: 1340400 9.20455 -11.6412 23.0234 -16.6394 -14.0201 -26.4565 28.9425 -25.8441 -23.9325 TIMING: 1340400 CPU: 4185.21, 0.00321931/step Wall: 4185.21, 0.00321931/step, 3.27261 hours remaining, 234.167969 MB of memory in use. ENERGY: 1340400 3962.5912 20473.8175 14446.0036 229.2946 -203597.5032 3015.7804 0.0000 0.0000 52465.6049 -109004.4111 301.5206 -161470.0159 -108636.8841 299.9407 162.3094 186.3769 764138.5751 -9.4548 -9.5827 PRESSURE: 1340600 234.109 85.3205 -151.181 85.3205 -288.421 -87.0765 -151.182 -87.0765 -275.684 GPRESSURE: 1340600 270.632 1.65378 -147.398 129.614 -192.865 -114.105 -59.5586 -98.8864 -330.417 PRESSAVG: 1340600 -25.9073 1.97157 -41.4085 1.97159 -5.58143 1.32101 -41.4085 1.32098 7.36443 GPRESSAVG: 1340600 -27.5105 0.0382984 -39.6172 3.35955 -3.97732 1.01339 -40.7935 1.27617 7.94527 TIMING: 1340600 CPU: 4185.84, 0.00315118/step Wall: 4185.84, 0.00315118/step, 3.20317 hours remaining, 234.371094 MB of memory in use. ENERGY: 1340600 3893.2571 20589.9805 14380.0575 258.4383 -202731.1555 2521.7998 0.0000 0.0000 52172.7824 -108914.8399 299.8377 -161087.6223 -108551.9078 299.6303 -109.9983 -84.2166 763425.3153 -8.0414 -7.8475 PRESSURE: 1340800 216.135 -26.7107 -3.82421 -26.7103 658.486 -72.6936 -3.82482 -72.6945 274.573 GPRESSURE: 1340800 197.468 -67.6456 76.6592 51.2839 675.721 -145.163 -82.5858 -53.3352 357.536 PRESSAVG: 1340800 49.1035 -13.112 62.8113 -13.112 -38.7199 -23.0024 62.8113 -23.0023 9.72095 GPRESSAVG: 1340800 48.9427 -12.5563 62.3226 -12.5071 -38.7616 -22.5841 61.3907 -21.1877 9.7608 TIMING: 1340800 CPU: 4186.47, 0.00314167/step Wall: 4186.47, 0.00314167/step, 3.19333 hours remaining, 234.371094 MB of memory in use. ENERGY: 1340800 3910.1060 20566.4141 14435.7530 266.4936 -203512.1814 3102.0762 0.0000 0.0000 52229.3325 -109002.0061 300.1627 -161231.3385 -108641.0970 300.0194 383.0646 410.2416 762282.2171 6.7015 6.6473 PRESSURE: 1341000 36.4129 -124.05 42.048 -124.05 -312.73 -35.0381 42.0477 -35.0378 37.0845 GPRESSURE: 1341000 30.7606 -83.4774 -27.3892 -159.725 -187.101 -115.904 52.0385 7.33285 -11.2491 PRESSAVG: 1341000 14.6209 -28.1553 14.0762 -28.1553 -47.7841 22.7252 14.0762 22.7252 -0.627508 GPRESSAVG: 1341000 16.0844 -28.4784 12.9437 -27.22 -48.6316 23.8121 12.5998 20.9747 -1.60406 TIMING: 1341000 CPU: 4187.1, 0.0031465/step Wall: 4187.1, 0.0031465/step, 3.19807 hours remaining, 234.371094 MB of memory in use. ENERGY: 1341000 4006.9338 20584.8243 14378.0318 245.2822 -203001.2656 2651.0077 0.0000 0.0000 52143.0135 -108992.1723 299.6666 -161135.1858 -108629.6815 299.6136 -79.7441 -55.8630 764621.3497 -11.2636 -11.3838 PRESSURE: 1341200 -140.728 -167.496 -73.826 -167.496 -41.8157 227.905 -73.826 227.905 -95.3167 GPRESSURE: 1341200 -128.54 -95.0476 -86.3453 -205.332 -14.7945 351.603 -176.192 145.081 -76.1961 PRESSAVG: 1341200 -12.1486 -6.37197 10.1622 -6.37194 -12.0504 -25.9429 10.1622 -25.9429 -13.126 GPRESSAVG: 1341200 -12.9352 -5.17604 11.6968 -9.65315 -12.3938 -25.6508 10.863 -25.0434 -12.1133 TIMING: 1341200 CPU: 4187.72, 0.00313493/step Wall: 4187.72, 0.00313493/step, 3.18613 hours remaining, 234.371094 MB of memory in use. ENERGY: 1341200 3952.8701 20431.8660 14425.9236 253.2005 -203367.6018 2761.4823 0.0000 0.0000 52200.0307 -109342.2284 299.9943 -161542.2592 -108964.0381 298.9955 -92.6200 -73.1769 760938.8789 -12.4416 -12.4808 PRESSURE: 1341400 74.4601 -32.0445 -169.145 -32.0453 -227.979 -58.3962 -169.145 -58.3954 338.636 GPRESSURE: 1341400 64.0492 -31.478 -222.436 -199.839 -122.075 -110.315 -117.52 -163.696 336.031 PRESSAVG: 1341400 21.503 14.8509 -40.2938 14.8509 0.723218 23.4174 -40.2938 23.4174 16.1781 GPRESSAVG: 1341400 21.4014 11.3358 -41.023 15.3008 1.53556 24.2466 -39.6432 21.4463 15.1657 TIMING: 1341400 CPU: 4188.35, 0.003138/step Wall: 4188.35, 0.003138/step, 3.18908 hours remaining, 234.371094 MB of memory in use. ENERGY: 1341400 3923.8182 20577.6540 14406.6043 257.4358 -203128.3902 2759.7822 0.0000 0.0000 51868.9738 -109334.1219 298.0917 -161203.0957 -108966.7792 298.8064 61.7056 92.6685 763018.1525 12.8014 12.7009 PRESSURE: 1341600 183.339 45.1051 15.4703 45.1047 49.3871 -23.7815 15.471 -23.7807 81.6936 GPRESSURE: 1341600 174.831 22.5998 32.9224 18.0493 62.828 -43.7529 61.8226 96.1901 166.7 PRESSAVG: 1341600 8.40658 50.5371 -33.1099 50.5372 -17.8019 48.3778 -33.1099 48.3778 4.17216 GPRESSAVG: 1341600 7.79699 52.3768 -33.9283 52.191 -18.4344 47.9137 -31.2929 50.2858 4.70758 TIMING: 1341600 CPU: 4188.98, 0.00315423/step Wall: 4188.98, 0.00315423/step, 3.2054 hours remaining, 234.371094 MB of memory in use. ENERGY: 1341600 3942.0849 20389.2923 14416.3310 240.4630 -203368.4225 2794.3987 0.0000 0.0000 52161.4987 -109424.3539 299.7728 -161585.8526 -109054.3452 298.7697 104.8066 134.7866 762179.7856 -1.7411 -1.9766 PRESSURE: 1341800 -218.701 -31.7201 -6.51619 -31.7196 -13.439 206.302 -6.51567 206.303 -145.862 GPRESSURE: 1341800 -229.565 3.41269 -49.4916 -7.26505 28.7497 136.942 46.3643 168.035 -119.725 PRESSAVG: 1341800 19.3205 40.853 -19.6614 40.853 24.5867 40.3537 -19.6614 40.3538 13.254 GPRESSAVG: 1341800 19.5599 41.1083 -18.5829 40.4058 24.764 39.2926 -21.0604 40.0062 12.5853 TIMING: 1341800 CPU: 4189.61, 0.00316691/step Wall: 4189.61, 0.00316691/step, 3.21811 hours remaining, 234.371094 MB of memory in use. ENERGY: 1341800 4005.6815 20432.9555 14428.6209 268.6790 -202989.3538 2400.2594 0.0000 0.0000 52097.4096 -109355.7479 299.4045 -161453.1575 -108995.1153 298.5555 -126.0008 -106.8466 763038.2164 19.0537 18.9697 PRESSURE: 1342000 -10.1075 181.704 341.961 181.704 166.131 -8.4276 341.961 -8.42873 174.766 GPRESSURE: 1342000 52.2293 189.768 336.179 163.648 102.952 -16.2064 355.404 -2.47262 260.627 PRESSAVG: 1342000 -22.4349 6.70064 -44.2248 6.70063 -0.418196 2.79809 -44.2248 2.79799 10.1895 GPRESSAVG: 1342000 -21.6964 6.21498 -44.0529 5.62833 -1.25697 3.22992 -43.725 3.32731 10.305 TIMING: 1342000 CPU: 4190.24, 0.00314857/step Wall: 4190.24, 0.00314857/step, 3.19929 hours remaining, 234.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1342000 3995.1138 20569.8866 14412.7951 250.6785 -203447.4968 2822.1070 0.0000 0.0000 52012.0663 -109384.8496 298.9141 -161396.9159 -109017.2810 299.0538 110.2633 138.6028 761422.4027 -4.2212 -4.2161 PRESSURE: 1342200 -99.6303 -229.006 -67.3484 -229.007 -4.22238 -160.148 -67.3484 -160.146 -20.3666 GPRESSURE: 1342200 -22.5295 -306.646 -18.007 -215.429 73.3427 -153.195 15.545 -136.637 -89.0329 PRESSAVG: 1342200 33.4248 25.5047 20.6678 25.5047 -7.61141 -68.4886 20.6677 -68.4887 11.1162 GPRESSAVG: 1342200 33.9097 26.0452 20.6839 26.6313 -8.51526 -68.1319 22.6077 -68.7442 11.0634 TIMING: 1342200 CPU: 4190.88, 0.00316152/step Wall: 4190.88, 0.00316152/step, 3.21228 hours remaining, 234.371094 MB of memory in use. ENERGY: 1342200 3973.1743 20656.5927 14407.4094 249.7789 -203059.0170 2544.1856 0.0000 0.0000 52014.6122 -109213.2639 298.9287 -161227.8761 -108849.8354 299.2931 -41.4064 -12.7399 762026.3667 12.3099 12.1526 PRESSURE: 1342400 -125.159 -86.2029 11.6148 -86.2023 226.509 -83.2677 11.6146 -83.269 -97.4147 GPRESSURE: 1342400 -137.862 -64.4433 121.632 -79.4172 187.803 39.2678 -31.1517 -156.796 25.5638 PRESSAVG: 1342400 4.18232 -19.1543 12.6868 -19.1544 55.2532 -30.7441 12.6868 -30.7441 2.86877 GPRESSAVG: 1342400 0.892017 -20.4481 12.4008 -19.0833 56.3259 -30.4973 10.0485 -28.9327 5.07899 TIMING: 1342400 CPU: 4191.51, 0.00315473/step Wall: 4191.51, 0.00315473/step, 3.2052 hours remaining, 234.371094 MB of memory in use. ENERGY: 1342400 3991.1555 20615.9876 14408.6361 271.5852 -202791.5850 2465.9477 0.0000 0.0000 52099.4582 -108938.8146 299.4163 -161038.2729 -108579.3490 299.5805 1.3118 25.1682 764140.4354 20.7681 20.7656 PRESSURE: 1342600 -187.577 -140.542 -250.551 -140.541 56.0559 -222.026 -250.551 -222.028 -190.279 GPRESSURE: 1342600 -65.7397 -234.575 -198.176 -233.792 -32.7374 -283.672 -245.485 -187.124 -153.96 PRESSAVG: 1342600 -35.7091 -3.37284 -12.8254 -3.3728 17.885 -42.0033 -12.8254 -42.0033 5.8258 GPRESSAVG: 1342600 -33.0765 -3.8408 -13.3498 -3.52607 18.0326 -42.6349 -12.7742 -45.1587 3.06735 TIMING: 1342600 CPU: 4192.13, 0.00313668/step Wall: 4192.13, 0.00313668/step, 3.18669 hours remaining, 234.371094 MB of memory in use. ENERGY: 1342600 3963.7164 20637.9910 14393.8603 245.0259 -203244.6797 2792.3915 0.0000 0.0000 52177.6397 -109034.0550 299.8656 -161211.6947 -108667.5107 299.9188 -107.2666 -84.1456 763676.4291 -3.9994 -3.9922 PRESSURE: 1342800 25.4562 -10.9223 -82.0997 -10.9227 -180.73 47.5142 -82.099 47.5143 -243.956 GPRESSURE: 1342800 1.13523 12.3661 -63.4866 37.3782 -103.541 168.581 -126.419 2.78518 -202.649 PRESSAVG: 1342800 -14.7902 32.1149 4.74686 32.1149 -24.3274 -24.9804 4.74688 -24.9803 17.6795 GPRESSAVG: 1342800 -15.9556 31.1995 3.51508 33.7627 -23.6681 -23.1431 5.72625 -23.703 18.0557 TIMING: 1342800 CPU: 4192.77, 0.00316558/step Wall: 4192.77, 0.00316558/step, 3.21588 hours remaining, 234.371094 MB of memory in use. ENERGY: 1342800 3964.5112 20663.4911 14401.9506 237.8735 -203361.1296 2837.9854 0.0000 0.0000 51992.4314 -109262.8863 298.8012 -161255.3178 -108911.5455 299.5448 -133.0765 -101.6849 764204.9827 -7.1460 -7.1894 PRESSURE: 1343000 9.63163 6.14715 149.453 6.147 213.344 -80.568 149.452 -80.5682 116.453 GPRESSURE: 1343000 15.0339 22.5389 82.8415 39.4047 209.376 -75.3976 -21.178 26.9877 195.007 PRESSAVG: 1343000 -46.2243 32.445 30.8255 32.4451 5.66484 -4.00074 30.8256 -4.00071 -30.6393 GPRESSAVG: 1343000 -45.5176 35.3657 31.8314 29.6214 4.22315 -5.89209 29.7262 -1.72469 -29.8458 TIMING: 1343000 CPU: 4193.4, 0.00315354/step Wall: 4193.4, 0.00315354/step, 3.20347 hours remaining, 234.371094 MB of memory in use. ENERGY: 1343000 3917.0678 20510.0995 14337.4057 255.0618 -203724.7598 3093.5489 0.0000 0.0000 52089.9545 -109521.6216 299.3617 -161611.5761 -109158.1627 298.9839 113.1427 139.8057 762679.1063 -23.7329 -23.7134 PRESSURE: 1343200 -266.136 -147.714 -251.085 -147.714 71.6018 -163.091 -251.085 -163.091 -245.367 GPRESSURE: 1343200 -163.361 -166.16 -246.915 -224.474 -3.0296 -286.838 -289.429 -32.0123 -183.276 PRESSAVG: 1343200 -21.2057 34.2703 26.5372 34.2703 -13.1936 -0.294502 26.5371 -0.294504 -8.97913 GPRESSAVG: 1343200 -21.3314 35.5244 27.855 34.9664 -12.9854 -0.233416 25.5011 -2.55428 -9.19545 TIMING: 1343200 CPU: 4194.03, 0.00315659/step Wall: 4194.03, 0.00315659/step, 3.2064 hours remaining, 234.371094 MB of memory in use. ENERGY: 1343200 3976.6927 20602.6702 14412.9069 241.6845 -203309.8669 2672.9653 0.0000 0.0000 52187.7174 -109215.2299 299.9235 -161402.9472 -108850.4859 299.0443 -146.6338 -116.5556 761988.1130 -14.4595 -14.5041 PRESSURE: 1343400 -223.945 51.9341 109.797 51.9343 -108.476 82.9281 109.796 82.9272 -355.443 GPRESSURE: 1343400 -100.523 59.3963 171.796 186.035 -103.269 21.7398 62.0904 145.825 -391.96 PRESSAVG: 1343400 -50.5175 8.26806 -13.1518 8.26809 37.3283 33.8441 -13.1518 33.8441 6.85312 GPRESSAVG: 1343400 -50.177 5.09667 -14.2786 9.56889 37.0304 34.0822 -11.6971 35.4528 7.32675 TIMING: 1343400 CPU: 4194.66, 0.00316/step Wall: 4194.66, 0.00316/step, 3.20968 hours remaining, 234.371094 MB of memory in use. ENERGY: 1343400 4015.1441 20601.8348 14410.6695 254.7084 -203317.6892 2521.3426 0.0000 0.0000 52429.3739 -109084.6159 301.3123 -161513.9898 -108705.1439 299.8529 -229.2881 -198.5841 762180.5465 -2.1121 -1.9399 PRESSURE: 1343600 -100.394 -35.6346 16.0356 -35.6344 -311.649 142.457 16.0359 142.457 365.881 GPRESSURE: 1343600 -86.6265 160.403 0.144244 26.0761 -278.359 112.413 -10.3996 132.156 384.57 PRESSAVG: 1343600 -4.57983 55.2024 8.73068 55.2024 8.57461 28.8494 8.73069 28.8494 13.2348 GPRESSAVG: 1343600 -4.52544 59.0561 9.88379 53.1931 9.23913 27.9627 9.40279 29.1477 12.9294 TIMING: 1343600 CPU: 4195.29, 0.00315662/step Wall: 4195.29, 0.00315662/step, 3.20607 hours remaining, 234.371094 MB of memory in use. ENERGY: 1343600 3973.7386 20726.5786 14427.3617 238.6008 -203553.7616 2847.0719 0.0000 0.0000 52107.6604 -109232.7497 299.4634 -161340.4101 -108864.6686 299.8635 -15.3875 6.5283 762645.8639 5.7432 5.8810 PRESSURE: 1343800 -376.475 229.158 220.506 229.157 211.45 -69.5396 220.506 -69.5393 -50.9337 GPRESSURE: 1343800 -266.039 79.0786 184.266 126.832 236.441 -164.939 190.934 -42.921 -117.734 PRESSAVG: 1343800 -42.0527 96.6432 -9.75863 96.6431 12.7554 -20.0534 -9.75866 -20.0535 11.3493 GPRESSAVG: 1343800 -41.4623 94.0447 -9.88136 97.9763 12.2288 -19.4757 -10.613 -20.1547 11.1048 TIMING: 1343800 CPU: 4195.93, 0.00316432/step Wall: 4195.93, 0.00316432/step, 3.21372 hours remaining, 234.371094 MB of memory in use. ENERGY: 1343800 4071.0770 20591.9771 14379.3070 251.1206 -203384.5053 2711.0800 0.0000 0.0000 52049.8061 -109330.1376 299.1310 -161379.9436 -108963.2723 299.3428 -71.9862 -49.1106 762162.1114 -5.9827 -6.0429 PRESSURE: 1344000 -48.3375 -63.3943 -146.24 -63.3952 -83.3758 165.124 -146.24 165.124 -20.7973 GPRESSURE: 1344000 -15.7296 -35.4544 -204.959 21.2256 -64.2945 180.045 -68.4004 176.062 21.0707 PRESSAVG: 1344000 -7.37163 -8.14922 21.271 -8.14921 21.293 4.14563 21.271 4.14561 -8.65878 GPRESSAVG: 1344000 -7.84804 -8.84982 21.7141 -7.24813 21.7456 3.73682 21.7554 1.64109 -8.43984 TIMING: 1344000 CPU: 4196.56, 0.0031589/step Wall: 4196.56, 0.0031589/step, 3.20804 hours remaining, 234.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1344000 4026.0471 20723.9316 14461.1624 258.8337 -203885.5246 3056.5521 0.0000 0.0000 52062.7033 -109296.2945 299.2051 -161358.9977 -108937.4438 299.6243 -50.8369 -19.6511 762638.6050 1.7542 1.8192 PRESSURE: 1344200 -4.31025 -74.9973 68.7181 -74.9972 -281.387 82.4198 68.7183 82.4194 140.736 GPRESSURE: 1344200 59.4554 64.6446 75.7963 -160.86 -294.022 102.537 1.89418 192.433 176.576 PRESSAVG: 1344200 -0.360565 49.6621 -51.7367 49.6622 2.16593 17.223 -51.7367 17.223 6.16582 GPRESSAVG: 1344200 -0.241134 50.4315 -52.6883 47.2281 1.72557 19.9367 -51.9659 16.1833 6.92826 TIMING: 1344200 CPU: 4197.19, 0.00316387/step Wall: 4197.19, 0.00316387/step, 3.21291 hours remaining, 234.371094 MB of memory in use. ENERGY: 1344200 4082.7887 20598.0287 14460.8389 261.3000 -203966.0228 3183.3215 0.0000 0.0000 52046.6156 -109333.1295 299.1126 -161379.7450 -108957.9211 299.2639 -48.3203 -19.3303 762758.5235 2.6571 2.8042 LDB: ============= START OF LOAD BALANCING ============== 4209.67 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4209.67 LDB: =============== DONE WITH MIGRATION ================ 4209.67 LDB: ============= START OF LOAD BALANCING ============== 4209.99 LDB: Largest compute 7052 load 0.030365 is 15.6% of average load 0.195092 LDB: Average compute 0.004365 is 2.2% of average load 0.195092 LDB: TIME 4209.99 LOAD: AVG 0.195092 MAX 0.212459 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.074 MB LDB: TIME 4209.99 LOAD: AVG 0.195092 MAX 0.212459 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.168 MB LDB: TIME 4209.99 LOAD: AVG 0.195092 MAX 0.212459 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.168 MB LDB: ============== END OF LOAD BALANCING =============== 4210 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4210 PRESSURE: 1344400 -109.001 -1.32362 33.9346 -1.32365 -381.042 127.177 33.9361 127.176 -25.5154 GPRESSURE: 1344400 -63.8608 41.6702 138.292 -59.0919 -340.918 106.019 -21.6569 86.4741 7.34396 PRESSAVG: 1344400 -46.2726 52.5318 -19.2241 52.5318 11.3126 9.10033 -19.2242 9.10034 -5.05177 GPRESSAVG: 1344400 -46.3277 52.2526 -18.4402 54.3935 11.8355 6.55183 -19.1222 11.6374 -5.98982 TIMING: 1344400 CPU: 4197.83, 0.00321825/step Wall: 4197.83, 0.00321825/step, 3.26795 hours remaining, 235.851562 MB of memory in use. ENERGY: 1344400 4014.0988 20390.4219 14428.9909 261.5558 -203632.8269 2835.9453 0.0000 0.0000 52339.5923 -109362.2218 300.7964 -161701.8142 -108995.5494 299.5111 -171.8530 -132.4784 762239.6781 -13.3373 -13.4940 PRESSURE: 1344600 -71.5926 -28.8915 42.09 -28.8908 185.36 51.3504 42.0908 51.351 310.44 GPRESSURE: 1344600 -17.5176 -29.4648 20.5083 -133.98 203.02 149.478 25.5587 -96.6733 324.706 PRESSAVG: 1344600 -42.4828 48.2502 14.5948 48.2502 19.2941 -41.7722 14.5947 -41.7721 19.2792 GPRESSAVG: 1344600 -43.7565 47.3341 15.1534 47.7513 20.6571 -41.2539 13.4062 -41.6172 18.7767 TIMING: 1344600 CPU: 4198.47, 0.00315811/step Wall: 4198.47, 0.00315811/step, 3.20671 hours remaining, 235.914062 MB of memory in use. ENERGY: 1344600 3963.1625 20710.5996 14448.4912 230.9657 -203550.7996 2846.3506 0.0000 0.0000 52086.6931 -109264.5369 299.3429 -161351.2300 -108896.3016 299.5676 141.4027 170.0695 762329.5201 -1.3032 -1.4409 PRESSURE: 1344800 -92.5537 84.7983 -106.564 84.7983 348.667 -72.2135 -106.564 -72.212 -42.0486 GPRESSURE: 1344800 87.9061 -64.1522 -87.2121 132.849 173.358 -132.944 -100.136 85.0826 29.9928 PRESSAVG: 1344800 -53.8881 44.9364 -23.3743 44.9364 64.6385 -67.7746 -23.3743 -67.7746 -16.7651 GPRESSAVG: 1344800 -53.3457 44.3789 -23.5505 42.4306 62.8436 -69.0406 -23.1904 -70.2876 -15.8418 TIMING: 1344800 CPU: 4199.1, 0.00316482/step Wall: 4199.1, 0.00316482/step, 3.21335 hours remaining, 235.914062 MB of memory in use. ENERGY: 1344800 3993.9344 20534.8406 14466.4294 257.4538 -203499.7487 2964.2925 0.0000 0.0000 52082.7648 -109200.0331 299.3204 -161282.7980 -108838.4715 298.8718 71.3548 97.0857 764974.7414 -2.0049 -2.1146 PRESSURE: 1345000 -15.5316 56.9646 -79.9991 56.9642 247.007 -222.915 -79.9987 -222.914 186.871 GPRESSURE: 1345000 -0.688846 90.3299 -106.237 201.62 286.631 -143.791 -34.9433 -135.323 211.925 PRESSAVG: 1345000 7.17616 24.9037 -1.4157 24.9037 -13.9831 -60.977 -1.41578 -60.9769 8.90709 GPRESSAVG: 1345000 6.61652 27.716 -2.86394 23.6576 -14.7647 -60.3255 0.464406 -58.527 10.2779 TIMING: 1345000 CPU: 4199.73, 0.00315624/step Wall: 4199.73, 0.00315624/step, 3.20446 hours remaining, 235.914062 MB of memory in use. ENERGY: 1345000 3983.6220 20627.0791 14439.7201 244.4421 -203241.4854 2679.6972 0.0000 0.0000 52055.9990 -109210.9258 299.1665 -161266.9248 -108848.6180 298.6960 139.4487 165.9557 764477.5323 0.7001 0.7099 PRESSURE: 1345200 84.2107 -129.006 164.557 -129.007 146.915 -63.432 164.557 -63.4325 553.338 GPRESSURE: 1345200 96.9933 -139.39 205.507 -22.3387 274.589 -28.5641 103.025 -98.7428 480.106 PRESSAVG: 1345200 -25.5331 -31.3474 -10.6035 -31.3473 -5.67551 -18.8252 -10.6035 -18.8252 -4.92041 GPRESSAVG: 1345200 -26.0576 -34.0815 -9.19592 -27.6586 -4.29028 -18.002 -12.9993 -18.7238 -6.67605 TIMING: 1345200 CPU: 4200.36, 0.00315004/step Wall: 4200.36, 0.00315004/step, 3.19799 hours remaining, 235.914062 MB of memory in use. ENERGY: 1345200 3967.1782 20487.5192 14421.9520 242.8291 -203328.6605 3026.0753 0.0000 0.0000 51896.6076 -109286.4990 298.2505 -161183.1066 -108927.2029 298.8443 261.4881 283.8961 763815.1949 -12.0430 -12.3413 PRESSURE: 1345400 -81.578 77.669 -131.587 77.6685 202.956 52.0981 -131.587 52.0979 7.55912 GPRESSURE: 1345400 86.0735 79.4887 -175.387 48.3646 104.243 44.3519 -255.806 132.983 29.7519 PRESSAVG: 1345400 11.0019 -7.52692 -27.6143 -7.52695 -13.9881 -70.1578 -27.6144 -70.1577 4.10493 GPRESSAVG: 1345400 11.5695 -5.90121 -29.0928 -8.3899 -14.7457 -71.5805 -26.586 -70.3273 5.2596 TIMING: 1345400 CPU: 4200.99, 0.00316944/step Wall: 4200.99, 0.00316944/step, 3.21751 hours remaining, 235.914062 MB of memory in use. ENERGY: 1345400 4026.3249 20652.5437 14418.8434 236.7575 -203343.5518 2991.4280 0.0000 0.0000 51756.3950 -109261.2593 297.4447 -161017.6543 -108913.2094 298.2848 42.9789 73.3561 762931.1636 0.3729 0.6945 PRESSURE: 1345600 196.943 -29.7776 -71.6318 -29.7786 -153.44 -46.7581 -71.6311 -46.7581 -467.98 GPRESSURE: 1345600 118.008 -213.226 -120.958 15.3049 -79.9142 18.7315 -50.3264 -159.664 -382.728 PRESSAVG: 1345600 -1.34041 18.5268 -33.6646 18.5268 -12.1199 12.0928 -33.6645 12.0927 11.5406 GPRESSAVG: 1345600 -1.29803 17.973 -35.4128 19.8187 -11.9669 13.2026 -31.5641 10.998 11.2574 TIMING: 1345600 CPU: 4201.62, 0.00315317/step Wall: 4201.62, 0.00315317/step, 3.20082 hours remaining, 235.914062 MB of memory in use. ENERGY: 1345600 3988.9082 20486.4944 14493.3564 241.1775 -203581.9596 3047.8732 0.0000 0.0000 52072.0713 -109252.0786 299.2589 -161324.1498 -108886.7847 299.0493 -141.4922 -114.8781 763459.8703 -0.6399 -0.6692 PRESSURE: 1345800 -47.5041 92.4675 -73.0641 92.4675 92.0217 -206.377 -73.0642 -206.377 -267.526 GPRESSURE: 1345800 64.4612 19.5536 -65.4205 55.3652 76.6846 -249.223 -2.07606 -274.017 -266.055 PRESSAVG: 1345800 -6.58301 -5.16642 4.60525 -5.16637 -8.87535 7.92974 4.6052 7.92977 -4.5857 GPRESSAVG: 1345800 -7.50079 -4.61468 7.80398 -6.59244 -7.89143 6.41386 2.17476 10.3296 -5.25539 TIMING: 1345800 CPU: 4202.25, 0.00313623/step Wall: 4202.25, 0.00313623/step, 3.18345 hours remaining, 235.914062 MB of memory in use. ENERGY: 1345800 3950.4657 20606.3752 14417.8629 242.2598 -202920.8849 2774.9859 0.0000 0.0000 51959.3354 -108969.5999 298.6110 -160928.9353 -108602.2096 298.9983 -74.3363 -41.6365 765173.4772 -6.6814 -6.8825 PRESSURE: 1346000 99.4336 -67.8015 -4.07393 -67.8014 -156.501 179.638 -4.07394 179.638 -283.787 GPRESSURE: 1346000 46.2797 -74.4869 -45.552 -105.323 -48.0248 207.298 -111.531 177.697 -258.239 PRESSAVG: 1346000 11.8469 8.34277 12.0305 8.3427 8.87032 -1.71567 12.0304 -1.71564 7.24937 GPRESSAVG: 1346000 11.5026 6.82135 12.792 9.13412 8.3577 -0.681969 11.2128 -2.97933 8.38106 TIMING: 1346000 CPU: 4202.88, 0.00313516/step Wall: 4202.88, 0.00313516/step, 3.18219 hours remaining, 235.914062 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: 1346000 4022.6187 20635.1151 14390.9724 225.2349 -203153.5658 2653.2952 0.0000 0.0000 52251.1492 -108975.1803 300.2881 -161226.3295 -108627.2133 299.6021 -113.6180 -86.6615 763350.3719 9.3222 9.4138 PRESSURE: 1346200 -157.428 43.6527 -81.3264 43.6509 0.199125 62.4028 -81.3273 62.4024 157.555 GPRESSURE: 1346200 -178.28 60.7676 -74.6568 32.7859 87.5271 74.6942 -187.812 7.06685 164.393 PRESSAVG: 1346200 -41.5978 -7.16845 -39.7237 -7.16846 -28.6144 -22.6945 -39.7237 -22.6945 -4.40888 GPRESSAVG: 1346200 -40.6244 -6.06959 -39.9332 -6.52294 -28.5596 -22.0389 -39.1217 -23.139 -5.11057 TIMING: 1346200 CPU: 4203.5, 0.00312916/step Wall: 4203.5, 0.00312916/step, 3.17593 hours remaining, 235.914062 MB of memory in use. ENERGY: 1346200 4042.6549 20621.4685 14409.6811 230.3096 -203166.0624 2832.9168 0.0000 0.0000 51949.5591 -109079.4724 298.5548 -161029.0315 -108704.3328 299.7412 0.1087 24.5467 763210.6240 -24.8737 -24.7649 PRESSURE: 1346400 -264.944 -115.115 -22.5496 -115.114 216.75 -216.36 -22.5503 -216.358 522.062 GPRESSURE: 1346400 -164.559 -59.3253 25.7171 -12.6434 171.013 -140.557 -7.65138 -236.129 527.026 PRESSAVG: 1346400 -47.6239 16.9275 40.2335 16.9276 34.3328 22.4197 40.2335 22.4196 5.07948 GPRESSAVG: 1346400 -47.4794 16.433 38.5962 17.1064 34.1742 21.9796 40.0543 22.7128 5.39261 TIMING: 1346400 CPU: 4204.13, 0.00312434/step Wall: 4204.13, 0.00312434/step, 3.17085 hours remaining, 235.914062 MB of memory in use. ENERGY: 1346400 4045.3801 20685.8734 14405.5320 255.2970 -203306.5887 2608.7874 0.0000 0.0000 51994.7918 -109310.9269 298.8148 -161305.7188 -108947.0846 299.2100 157.9559 177.8268 760842.8672 -2.7372 -2.6375 PRESSURE: 1346600 194.017 261.995 96.5279 261.996 -254.453 -5.10724 96.5282 -5.10698 7.30452 GPRESSURE: 1346600 219.782 156.527 142.502 235.743 -196.204 11.7105 106.178 61.3053 25.151 PRESSAVG: 1346600 -2.49603 4.64528 -27.5914 4.64532 34.0236 -1.11806 -27.5915 -1.1181 22.3775 GPRESSAVG: 1346600 -1.80509 4.90635 -27.8896 1.54954 33.0957 -1.87294 -24.9814 1.51764 22.7717 TIMING: 1346600 CPU: 4204.76, 0.00313938/step Wall: 4204.76, 0.00313939/step, 3.18595 hours remaining, 235.914062 MB of memory in use. ENERGY: 1346600 3946.5660 20619.2973 14399.5144 272.5594 -203330.3862 2731.1569 0.0000 0.0000 52082.4055 -109278.8868 299.3183 -161361.2922 -108919.2100 298.9283 -17.7104 16.2431 762682.9173 17.9684 18.0208 PRESSURE: 1346800 -295.27 -146.499 -107.915 -146.5 -31.2123 -172.704 -107.915 -172.703 285.617 GPRESSURE: 1346800 -213.769 -94.0721 -69.3374 -199.643 1.49815 -168.847 -160.563 -241.336 262.942 PRESSAVG: 1346800 -51.3153 0.805251 1.0708 0.805261 36.7275 -3.35396 1.07081 -3.35395 -12.6163 GPRESSAVG: 1346800 -52.2353 0.863696 0.501471 3.04266 37.5225 -3.11434 -1.96346 -4.63809 -12.3483 TIMING: 1346800 CPU: 4205.38, 0.00312242/step Wall: 4205.38, 0.00312242/step, 3.16856 hours remaining, 235.914062 MB of memory in use. ENERGY: 1346800 4014.0916 20663.4980 14469.5217 253.7459 -203060.6843 2378.2125 0.0000 0.0000 52068.3936 -109213.2210 299.2378 -161281.6146 -108865.0750 299.2915 -13.6218 16.8904 761325.6866 -9.0680 -9.0204 PRESSURE: 1347000 174.376 37.3207 152.834 37.3208 -280.392 85.0482 152.834 85.0479 -98.985 GPRESSURE: 1347000 145.543 70.6209 177.569 -10.6755 -307.614 76.576 235.271 184.123 49.2652 PRESSAVG: 1347000 -27.6173 -18.025 48.4459 -18.025 15.6503 43.8902 48.4459 43.8901 8.12317 GPRESSAVG: 1347000 -27.2181 -16.5173 49.0584 -19.2267 16.5363 44.2075 49.3144 41.6525 7.62868 TIMING: 1347000 CPU: 4206.01, 0.0031508/step Wall: 4206.01, 0.0031508/step, 3.19719 hours remaining, 235.914062 MB of memory in use. ENERGY: 1347000 4007.4105 20483.1798 14442.7941 244.5408 -202945.2230 2632.7241 0.0000 0.0000 52084.8538 -109049.7199 299.3324 -161134.5738 -108683.7220 299.9624 -68.3338 -37.6018 763134.3089 -1.2813 -1.0177 PRESSURE: 1347200 -115.158 215.285 -126.807 215.285 -22.1255 171.268 -126.808 171.268 -155.051 GPRESSURE: 1347200 -70.6854 40.6147 -181.298 131.206 14.8675 148.608 -30.4334 185.363 -173.08 PRESSAVG: 1347200 30.4908 -3.6777 -4.59579 -3.6777 -15.2 27.6141 -4.59583 27.6141 20.8127 GPRESSAVG: 1347200 30.1518 -8.24322 -5.45912 -2.02592 -15.8278 26.9254 -4.01724 28.9862 21.3752 TIMING: 1347200 CPU: 4206.64, 0.00314189/step Wall: 4206.64, 0.00314189/step, 3.18797 hours remaining, 235.914062 MB of memory in use. ENERGY: 1347200 4060.9768 20456.6366 14457.8681 227.5337 -203159.6746 2633.6280 0.0000 0.0000 52229.0408 -109093.9906 300.1610 -161323.0314 -108729.6306 299.8879 -97.4450 -76.2993 762619.2940 12.0345 11.8997 PRESSURE: 1347400 181.882 -34.029 -38.8821 -34.0289 -29.0613 -123.855 -38.8814 -123.856 -11.9342 GPRESSURE: 1347400 164.673 0.972979 -14.5365 -34.9093 -1.20709 -42.8581 -29.48 -59.1429 59.4168 PRESSAVG: 1347400 11.3547 -13.1896 -1.70152 -13.1896 -46.9373 33.7222 -1.70147 33.7222 0.422378 GPRESSAVG: 1347400 10.5806 -10.2204 -1.1847 -14.1815 -45.4414 35.2384 -0.744453 34.3902 -0.428004 TIMING: 1347400 CPU: 4207.27, 0.00316011/step Wall: 4207.27, 0.00316011/step, 3.20629 hours remaining, 235.914062 MB of memory in use. ENERGY: 1347400 4046.1606 20576.6759 14466.1248 250.7826 -202998.0659 2534.0326 0.0000 0.0000 52134.0584 -108990.2310 299.6152 -161124.2894 -108629.0960 299.5924 46.9621 74.2942 762569.9851 -11.7201 -11.7630 PRESSURE: 1347600 65.2603 -3.1577 76.8203 -3.15672 -25.3437 128.132 76.8208 128.13 79.8584 GPRESSURE: 1347600 123.162 -84.0464 159.441 -11.3565 58.8614 175.822 136.712 107.115 19.2672 PRESSAVG: 1347600 43.5347 -14.2335 14.5667 -14.2335 -54.9201 -5.54127 14.5667 -5.54127 9.58727 GPRESSAVG: 1347600 44.2798 -14.778 15.2531 -13.1696 -56.1238 -6.2022 14.1827 -4.79124 9.78219 TIMING: 1347600 CPU: 4207.9, 0.00314841/step Wall: 4207.9, 0.00314841/step, 3.19423 hours remaining, 235.914062 MB of memory in use. ENERGY: 1347600 4020.1055 20517.6771 14410.0262 220.0033 -203318.0220 2668.4647 0.0000 0.0000 52293.5615 -109188.1838 300.5318 -161481.7453 -108823.2270 299.7890 39.9250 67.0968 761306.8673 -0.5994 -0.6873 PRESSURE: 1347800 151.986 -94.0482 106.267 -94.0479 -138.841 1.56583 106.266 1.56571 -104.56 GPRESSURE: 1347800 92.1031 -179.633 78.3358 -123.926 -41.3495 93.1456 45.4001 -126.397 -69.8712 PRESSAVG: 1347800 29.2821 -11.2465 59.2147 -11.2465 -53.5838 1.76472 59.2149 1.76475 18.4038 GPRESSAVG: 1347800 29.1486 -9.50957 58.3426 -12.9021 -53.7284 1.86103 57.6946 0.89271 18.4989 TIMING: 1347800 CPU: 4208.53, 0.00315158/step Wall: 4208.53, 0.00315158/step, 3.19728 hours remaining, 235.914062 MB of memory in use. ENERGY: 1347800 4040.4491 20486.3216 14415.4627 247.9569 -202906.7792 2537.3828 0.0000 0.0000 51910.8971 -109268.3090 298.3326 -161179.2061 -108894.6339 299.0985 -30.4720 -6.3726 760820.4617 -1.9660 -2.0270 PRESSURE: 1348000 -91.8609 239.047 212.224 239.047 -101.046 29.8691 212.224 29.8685 -39.2303 GPRESSURE: 1348000 -38.7031 200.444 194.428 269.043 -15.4916 138.391 197.238 62.2683 -78.0632 PRESSAVG: 1348000 49.2876 -27.3159 -11.0926 -27.316 -47.2376 9.11772 -11.0926 9.11771 25.5971 GPRESSAVG: 1348000 49.9788 -28.0785 -12.6122 -24.9052 -46.3771 8.96977 -9.64049 8.40737 24.7584 TIMING: 1348000 CPU: 4209.16, 0.00314207/step Wall: 4209.16, 0.00314207/step, 3.18746 hours remaining, 235.914062 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: 1348000 3969.4025 20518.1412 14408.9216 245.7660 -203164.7281 2591.5195 0.0000 0.0000 52079.8994 -109351.0780 299.3039 -161430.9773 -108983.7863 299.3627 -77.3792 -44.0860 761002.5001 9.2157 9.4534 PRESSURE: 1348200 -177.956 255.444 11.4582 255.444 -43.5259 -73.2032 11.4577 -73.2029 -86.4319 GPRESSURE: 1348200 -208.377 191.565 41.9651 179.415 77.0568 -101.625 91.6122 202.468 -105.986 PRESSAVG: 1348200 60.3383 28.4983 -0.329183 28.4983 -62.492 -24.2589 -0.329244 -24.2589 -0.672581 GPRESSAVG: 1348200 58.7601 26.3482 -1.08078 27.2096 -61.9605 -23.4818 -0.135609 -23.3973 0.829671 TIMING: 1348200 CPU: 4209.79, 0.00313767/step Wall: 4209.79, 0.00313767/step, 3.18281 hours remaining, 235.914062 MB of memory in use. ENERGY: 1348200 4026.0530 20350.4477 14400.6530 241.6982 -203241.7658 2748.8026 0.0000 0.0000 52083.5282 -109390.5830 299.3248 -161474.1112 -109014.2079 299.1366 -102.6380 -79.1020 763185.3507 -0.9421 -0.7902 LDB: ============= START OF LOAD BALANCING ============== 4222.27 LDB: ============== END OF LOAD BALANCING =============== 4222.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4222.27 LDB: ============= START OF LOAD BALANCING ============== 4222.58 LDB: Largest compute 7052 load 0.030094 is 15.4% of average load 0.195036 LDB: Average compute 0.004363 is 2.2% of average load 0.195036 LDB: TIME 4222.58 LOAD: AVG 0.195036 MAX 0.212048 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.688 MB LDB: TIME 4222.58 LOAD: AVG 0.195036 MAX 0.212048 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.691 MB LDB: TIME 4222.58 LOAD: AVG 0.195036 MAX 0.212048 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.691 MB LDB: ============== END OF LOAD BALANCING =============== 4222.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4222.59 PRESSURE: 1348400 -364.362 208.003 -110.603 208.003 -134.432 -104.564 -110.604 -104.564 83.7567 GPRESSURE: 1348400 -300.134 287.444 -237.934 79.5315 -25.9639 -145.484 -127.447 -37.2189 -17.7134 PRESSAVG: 1348400 -39.0207 33.2767 9.84673 33.2767 28.8698 -11.6954 9.84676 -11.6955 14.3968 GPRESSAVG: 1348400 -38.739 33.7032 11.607 32.8093 30.0036 -12.5511 10.1924 -13.709 12.5094 TIMING: 1348400 CPU: 4210.43, 0.00318845/step Wall: 4210.43, 0.00318845/step, 3.23415 hours remaining, 233.742188 MB of memory in use. ENERGY: 1348400 4074.2583 20416.3336 14475.8634 240.4480 -202823.4467 2388.5546 0.0000 0.0000 52081.1443 -109146.8443 299.3111 -161227.9887 -108773.6165 299.2561 -138.3455 -114.6038 762175.4817 1.4153 1.2580 PRESSURE: 1348600 -181.122 -91.1809 -172.575 -91.1799 -142.87 50.5541 -172.575 50.5555 -179.915 GPRESSURE: 1348600 -189.381 24.3698 -220.474 -71.1724 -36.2498 67.8878 -154.76 -33.4856 -186.023 PRESSAVG: 1348600 15.1469 -19.2344 -14.4202 -19.2343 46.6986 -53.5149 -14.4202 -53.5149 -20.7762 GPRESSAVG: 1348600 15.9765 -17.8096 -15.521 -20.4129 44.3296 -53.698 -15.9843 -53.9968 -19.603 TIMING: 1348600 CPU: 4211.06, 0.00314631/step Wall: 4211.06, 0.00314631/step, 3.19123 hours remaining, 233.742188 MB of memory in use. ENERGY: 1348600 3968.5040 20580.8978 14452.1773 254.0071 -203061.9262 2601.0354 0.0000 0.0000 51924.2847 -109281.0198 298.4096 -161205.3045 -108920.1121 299.5507 -167.9689 -137.2179 762669.3383 13.6898 13.5677 PRESSURE: 1348800 -155.293 -308.932 -50.76 -308.932 -214.826 35.0755 -50.761 35.0751 95.2385 GPRESSURE: 1348800 -207.714 -185.051 -105.588 -200.105 -126.161 110.546 48.731 0.790973 137.204 PRESSAVG: 1348800 -9.56221 0.722651 -22.5816 0.72266 29.1168 -29.7011 -22.5816 -29.7012 3.38508 GPRESSAVG: 1348800 -11.1086 1.84639 -21.7996 1.3441 30.3904 -30.1558 -21.1836 -27.8191 3.61318 TIMING: 1348800 CPU: 4211.69, 0.00315836/step Wall: 4211.69, 0.00315836/step, 3.20328 hours remaining, 233.742188 MB of memory in use. ENERGY: 1348800 3951.1759 20550.6565 14447.7063 241.6091 -202964.4731 2512.5038 0.0000 0.0000 52060.6679 -109200.1537 299.1934 -161260.8216 -108836.1601 299.1037 -91.6267 -65.5567 763945.3301 7.6466 7.6317 PRESSURE: 1349000 -282.674 43.9311 1.75262 43.9305 -53.2259 17.1953 1.75373 17.1959 -18.8092 GPRESSURE: 1349000 -138.998 188.213 83.0839 54.74 -81.5705 45.2641 43.8023 118.822 -28.8654 PRESSAVG: 1349000 -24.0582 19.097 -2.92721 19.0971 49.4011 -32.1174 -2.92725 -32.1174 0.564928 GPRESSAVG: 1349000 -21.6405 18.5654 -3.24296 20.4494 48.7484 -31.9211 -1.81493 -30.4778 -1.09621 TIMING: 1349000 CPU: 4212.32, 0.00315629/step Wall: 4212.32, 0.00315629/step, 3.201 hours remaining, 233.742188 MB of memory in use. ENERGY: 1349000 3982.6805 20620.4561 14504.3601 230.7106 -203194.8158 2653.8974 0.0000 0.0000 51995.3296 -109207.3816 298.8179 -161202.7111 -108848.0427 299.4505 -118.2364 -83.1447 762497.6222 8.6359 8.6705 PRESSURE: 1349200 63.5346 -95.0929 183.201 -95.093 -381.751 64.3971 183.201 64.3986 -17.8115 GPRESSURE: 1349200 76.6695 69.6378 144.157 -159.744 -355.905 109.034 -20.5608 -73.3159 26.8728 PRESSAVG: 1349200 17.8864 23.324 -5.84569 23.324 -25.6279 -14.3717 -5.84566 -14.3718 -11.5308 GPRESSAVG: 1349200 17.2742 23.0185 -4.09519 22.9852 -26.7863 -13.1911 -8.71042 -17.5752 -9.95167 TIMING: 1349200 CPU: 4212.95, 0.00316164/step Wall: 4212.95, 0.00316164/step, 3.20625 hours remaining, 233.742188 MB of memory in use. ENERGY: 1349200 3992.1331 20524.1545 14461.9443 223.3321 -203232.3594 2531.4316 0.0000 0.0000 52092.1534 -109407.2104 299.3743 -161499.3638 -109037.8114 299.1803 -112.0094 -84.1209 763081.5977 -6.4241 -6.4879 PRESSURE: 1349400 397.547 -7.55948 -52.1105 -7.55998 -138.238 6.90659 -52.1104 6.9069 390.159 GPRESSURE: 1349400 299.351 46.0694 -80.1297 38.7443 76.6795 -53.703 9.518 68.2009 363.563 PRESSAVG: 1349400 -10.497 23.7236 -11.245 23.7237 -3.24456 -69.8962 -11.245 -69.8962 -4.17742 GPRESSAVG: 1349400 -11.8655 22.5494 -12.5732 21.0398 -1.17592 -70.2233 -9.26394 -69.0079 -4.88235 TIMING: 1349400 CPU: 4213.58, 0.00313407/step Wall: 4213.58, 0.00313407/step, 3.17813 hours remaining, 233.742188 MB of memory in use. ENERGY: 1349400 4061.2344 20481.0756 14435.5093 239.3412 -203855.3078 3016.9732 0.0000 0.0000 51940.0002 -109681.1739 298.4999 -161621.1741 -109312.9275 298.5227 216.4894 246.5311 763379.0265 -5.9730 -5.9746 PRESSURE: 1349600 -60.4983 91.3545 118.203 91.3539 267.81 118.004 118.202 118.003 557.606 GPRESSURE: 1349600 31.9027 7.91199 99.304 137.179 258.639 48.9946 108.808 33.7097 553.655 PRESSAVG: 1349600 -22.1252 50.474 14.741 50.4739 16.1812 -59.7048 14.741 -59.7048 0.114885 GPRESSAVG: 1349600 -21.9302 48.9176 14.7376 54.0182 15.6428 -59.8904 13.5543 -60.8816 0.106746 TIMING: 1349600 CPU: 4214.21, 0.00315435/step Wall: 4214.21, 0.00315435/step, 3.19851 hours remaining, 233.742188 MB of memory in use. ENERGY: 1349600 3907.5721 20606.0788 14414.0066 247.5959 -203931.4990 3088.9827 0.0000 0.0000 51884.8670 -109782.3958 298.1830 -161667.2628 -109427.0566 298.2620 254.9727 281.3987 761649.8917 -1.9431 -2.0602 PRESSURE: 1349800 -102.197 341.045 -97.7825 341.043 -100.657 304.028 -97.783 304.028 244.252 GPRESSURE: 1349800 -168.117 260.079 -148.525 215.998 -47.2909 308.657 -31.5811 270.857 347.813 PRESSAVG: 1349800 -47.8708 39.8262 8.64381 39.826 36.9813 -52.8166 8.64383 -52.8166 -7.08143 GPRESSAVG: 1349800 -46.7775 39.5314 8.58048 41.2529 34.5126 -53.7688 9.19276 -51.0984 -6.23166 TIMING: 1349800 CPU: 4214.84, 0.00314544/step Wall: 4214.84, 0.00314544/step, 3.1893 hours remaining, 233.742188 MB of memory in use. ENERGY: 1349800 3931.4357 20611.4049 14444.1707 251.3025 -203967.1005 2996.5179 0.0000 0.0000 51973.1587 -109759.1100 298.6905 -161732.2688 -109394.5006 297.8554 13.7995 44.1351 762530.6469 -5.9903 -6.1655 PRESSURE: 1350000 -9.11173 -72.4001 -70.0878 -72.4007 -225.286 -223.109 -70.088 -223.108 220.814 GPRESSURE: 1350000 -46.9043 -43.0929 -202.665 -99.5262 -33.3757 -214.985 -47.6724 -168.002 159.999 PRESSAVG: 1350000 -44.4507 11.1209 21.4261 11.1209 41.8562 25.1338 21.4261 25.1338 -9.72421 GPRESSAVG: 1350000 -45.7006 12.6539 20.822 9.07977 43.9037 24.7284 22.1322 25.9416 -10.3054 TIMING: 1350000 CPU: 4215.47, 0.00314209/step Wall: 4215.47, 0.00314209/step, 3.18573 hours remaining, 233.742188 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: 1350000 3954.7278 20664.5115 14453.3436 241.1101 -203468.6359 2642.7685 0.0000 0.0000 51875.9002 -109636.2741 298.1315 -161512.1744 -109273.7725 298.5371 -4.5279 26.5729 762218.0317 -4.1063 -4.0341 PRESSURE: 1350200 113.839 -175.856 72.2752 -175.856 -128.004 -98.513 72.2751 -98.5125 124.633 GPRESSURE: 1350200 94.0605 -136.064 159.774 -213.013 -96.0864 -138.388 107.332 -112.491 195.416 PRESSAVG: 1350200 9.55048 -7.91908 -39.5187 -7.91904 29.9067 14.9048 -39.5187 14.9048 18.2801 GPRESSAVG: 1350200 9.2253 -9.26421 -39.5011 -9.09186 30.9308 15.0098 -39.5546 13.1716 17.6525 TIMING: 1350200 CPU: 4216.09, 0.00313597/step Wall: 4216.09, 0.00313597/step, 3.17935 hours remaining, 233.742188 MB of memory in use. ENERGY: 1350200 3989.3882 20628.3539 14493.8210 255.1916 -203531.9321 2649.5640 0.0000 0.0000 51932.8758 -109582.7377 298.4590 -161515.6135 -109226.3888 298.4697 36.8225 64.4633 760774.4159 19.2458 19.2695 PRESSURE: 1350400 211.534 259.344 166.075 259.343 490.426 56.0907 166.076 56.0905 505.587 GPRESSURE: 1350400 179.157 114.216 127.791 389.117 534.455 60.4205 234.147 72.7097 583.344 PRESSAVG: 1350400 -10.6259 9.80145 1.57875 9.80143 19.8971 23.1033 1.57876 23.1032 -7.04108 GPRESSAVG: 1350400 -9.50633 10.187 1.27478 12.824 17.854 24.4188 0.31198 21.4164 -6.11022 TIMING: 1350400 CPU: 4216.72, 0.0031346/step Wall: 4216.72, 0.0031346/step, 3.17779 hours remaining, 233.742188 MB of memory in use. ENERGY: 1350400 3989.5920 20547.9842 14443.5048 246.1426 -203896.5184 2939.8146 0.0000 0.0000 52060.6803 -109668.8000 299.1934 -161729.4803 -109294.7510 299.0741 402.5156 432.3190 760273.9671 0.7434 0.7458 PRESSURE: 1350600 -156.406 34.2667 -157.622 34.2652 -18.5562 -34.2541 -157.622 -34.2542 140.586 GPRESSURE: 1350600 -96.9972 50.3324 -124.186 100.692 -51.7238 -70.5152 -18.0043 -32.265 186.779 PRESSAVG: 1350600 -10.1434 30.727 -13.7764 30.727 -8.66953 -20.224 -13.7763 -20.224 18.1137 GPRESSAVG: 1350600 -11.6933 33.6932 -12.6497 27.2356 -6.83942 -19.6863 -12.3085 -18.235 17.7638 TIMING: 1350600 CPU: 4217.35, 0.00314034/step Wall: 4217.35, 0.00314034/step, 3.18343 hours remaining, 233.742188 MB of memory in use. ENERGY: 1350600 3952.4949 20677.5218 14445.6641 259.5577 -203573.8122 2578.7836 0.0000 0.0000 51768.1296 -109891.6606 297.5122 -161659.7901 -109523.9262 298.4447 -11.4586 12.6861 760667.3398 -0.2331 -0.2563 PRESSURE: 1350800 -287.676 -176.27 56.4716 -176.269 -111.112 41.5376 56.4713 41.5373 509.152 GPRESSURE: 1350800 -238.148 -27.3411 102.153 -157.849 -32.8344 19.0529 27.1931 64.1563 495.544 PRESSAVG: 1350800 21.3589 10.1125 7.31085 10.1126 -44.5981 18.6142 7.31084 18.6142 14.7043 GPRESSAVG: 1350800 23.0107 8.88267 7.55858 9.73472 -45.7586 18.5356 7.19255 19.4945 14.1625 TIMING: 1350800 CPU: 4217.98, 0.00313621/step Wall: 4217.98, 0.00313621/step, 3.17907 hours remaining, 233.742188 MB of memory in use. ENERGY: 1350800 3947.2749 20582.4664 14466.9456 254.9565 -203249.0687 2722.2893 0.0000 0.0000 51735.3410 -109539.7949 297.3237 -161275.1359 -109175.2659 298.2774 36.7883 74.8538 762714.9660 -2.8450 -2.8618 PRESSURE: 1351000 -315.025 -277.809 -88.166 -277.81 -11.4335 65.3215 -88.1664 65.3223 -256.189 GPRESSURE: 1351000 -204.297 -238.526 -80.3504 -180.924 -100.269 2.88255 -60.3299 105.553 -208.191 PRESSAVG: 1351000 -42.9583 -45.3519 17.6864 -45.3519 41.6526 16.9696 17.6864 16.9697 8.22198 GPRESSAVG: 1351000 -43.0437 -44.3297 17.6138 -44.0436 40.4682 17.0486 16.749 14.6882 10.0519 TIMING: 1351000 CPU: 4218.61, 0.0031563/step Wall: 4218.61, 0.0031563/step, 3.19926 hours remaining, 233.742188 MB of memory in use. ENERGY: 1351000 3982.1661 20512.0927 14469.6122 255.7701 -203372.3353 2605.2201 0.0000 0.0000 52081.5339 -109465.9403 299.3133 -161547.4742 -109114.0208 299.1074 -194.2160 -170.9189 763582.9232 2.3054 2.4921 PRESSURE: 1351200 -71.4722 -64.8666 -78.9602 -64.8671 -341.43 -122.225 -78.9595 -122.226 -167.251 GPRESSURE: 1351200 -42.1494 -76.4283 -73.0087 -116.649 -270.815 -107.83 25.9989 -111.687 -188.841 PRESSAVG: 1351200 -13.3328 12.5536 47.8926 12.5536 -2.28167 10.3368 47.8926 10.3367 6.9574 GPRESSAVG: 1351200 -13.0447 9.64415 47.5196 12.7709 -1.10155 8.20122 51.0315 13.3697 5.70237 TIMING: 1351200 CPU: 4219.23, 0.0031295/step Wall: 4219.23, 0.0031295/step, 3.17192 hours remaining, 233.742188 MB of memory in use. ENERGY: 1351200 3974.0138 20630.4583 14387.6681 264.5735 -203454.2639 2892.8709 0.0000 0.0000 51776.9757 -109527.7036 297.5630 -161304.6793 -109162.3044 298.3955 -193.3846 -167.2686 763273.0215 -2.8857 -2.8146 PRESSURE: 1351400 159.537 -137.414 -97.0998 -137.414 -279.346 77.4771 -97.1003 77.4759 -131.039 GPRESSURE: 1351400 124.117 -46.613 -53.9183 -126.26 -177.845 21.3408 -62.3608 79.5599 -114.27 PRESSAVG: 1351400 -53.0554 -20.5428 22.9227 -20.5428 31.933 31.2055 22.9227 31.2055 13.1189 GPRESSAVG: 1351400 -55.3043 -18.643 21.6424 -20.6579 32.5889 29.5241 21.3164 32.4577 14.6363 TIMING: 1351400 CPU: 4219.86, 0.00314227/step Wall: 4219.86, 0.00314227/step, 3.18469 hours remaining, 233.742188 MB of memory in use. ENERGY: 1351400 3966.1752 20558.3485 14449.8719 252.8643 -203385.7115 2794.3626 0.0000 0.0000 51752.7285 -109611.3604 297.4236 -161364.0888 -109255.2228 297.7959 -83.6159 -55.9995 763822.6123 -2.6678 -2.6930 PRESSURE: 1351600 -306.124 -15.4123 -161.833 -15.4124 144.741 -220.604 -161.833 -220.605 -31.8625 GPRESSURE: 1351600 -258.905 -17.8813 -178.019 -94.6067 158.798 -176.612 -183.157 -385.587 -17.5644 PRESSAVG: 1351600 -35.0322 -21.3647 -8.20946 -21.3647 39.3329 -47.2554 -8.20945 -47.2554 2.84533 GPRESSAVG: 1351600 -34.2627 -21.9157 -6.85269 -22.851 39.0323 -42.9404 -11.7956 -51.1907 1.89262 TIMING: 1351600 CPU: 4220.49, 0.00314316/step Wall: 4220.49, 0.00314316/step, 3.18541 hours remaining, 233.742188 MB of memory in use. ENERGY: 1351600 3960.8657 20531.5206 14447.2364 235.8474 -202989.1663 2613.3735 0.0000 0.0000 51583.4666 -109616.8562 296.4509 -161200.3228 -109256.3923 298.2839 -64.4152 -39.2240 765074.5101 2.3820 2.2207 PRESSURE: 1351800 -548.534 -317.044 115.15 -317.045 1.33389 -323.342 115.15 -323.342 -53.511 GPRESSURE: 1351800 -342.078 -325.093 45.8162 -58.8561 -128.42 -271.919 157.154 -287.02 -35.9338 PRESSAVG: 1351800 -48.3909 -33.6234 -21.0338 -33.6234 59.9353 -15.4386 -21.0337 -15.4385 31.6916 GPRESSAVG: 1351800 -49.0916 -34.1677 -22.4858 -31.1827 60.5983 -16.2249 -20.0328 -14.7364 31.5753 TIMING: 1351800 CPU: 4221.12, 0.00313648/step Wall: 4221.12, 0.00313648/step, 3.17847 hours remaining, 233.742188 MB of memory in use. ENERGY: 1351800 3949.0431 20433.5699 14374.8526 250.8544 -203242.4991 2548.3968 0.0000 0.0000 51896.6044 -109789.1779 298.2505 -161685.7824 -109419.5474 297.8001 -200.2370 -168.8104 764576.0780 14.4120 14.3607 PRESSURE: 1352000 135.949 1.43353 123.31 1.43362 102.115 288.003 123.309 288.002 -278.551 GPRESSURE: 1352000 149.749 19.9444 96.6748 10.284 167.705 325.506 65.2399 225.863 -275.069 PRESSAVG: 1352000 2.04342 -13.9889 27.7658 -13.9889 33.2644 -1.44708 27.7657 -1.44701 0.410609 GPRESSAVG: 1352000 3.39442 -13.5615 27.8435 -17.1927 31.0325 -2.58169 30.0645 0.126609 1.32467 TIMING: 1352000 CPU: 4221.75, 0.00314351/step Wall: 4221.75, 0.00314351/step, 3.18542 hours remaining, 233.742188 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: 1352000 3882.1539 20410.1112 14434.8259 246.5033 -202951.7881 2526.3245 0.0000 0.0000 51856.4833 -109595.3860 298.0199 -161451.8693 -109221.2669 297.8379 -13.4955 14.1283 761467.7042 11.9061 11.9172 PRESSURE: 1352200 -106.606 -172.199 43.8451 -172.199 -72.2823 -277.765 43.8453 -277.764 -43.5249 GPRESSURE: 1352200 13.5324 -113.207 49.2631 -116.294 -43.5467 -267.177 111.851 -299.981 -105.374 PRESSAVG: 1352200 -21.1801 -7.53197 -16.946 -7.532 74.0234 -12.355 -16.9461 -12.3549 -35.6205 GPRESSAVG: 1352200 -20.6112 -8.84118 -16.5505 -6.62205 74.9779 -12.3154 -19.0969 -13.5797 -36.6298 TIMING: 1352200 CPU: 4222.37, 0.00314296/step Wall: 4222.37, 0.00314296/step, 3.18469 hours remaining, 233.742188 MB of memory in use. ENERGY: 1352200 4031.8591 20290.3414 14456.0184 245.6846 -203155.3298 2585.3394 0.0000 0.0000 52054.0326 -109492.0544 299.1552 -161546.0870 -109134.4301 298.3285 -74.1378 -45.1294 761723.7045 5.7409 5.9123 LDB: ============= START OF LOAD BALANCING ============== 4234.86 LDB: ============== END OF LOAD BALANCING =============== 4234.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4234.86 LDB: ============= START OF LOAD BALANCING ============== 4235.17 LDB: Largest compute 6984 load 0.031502 is 16.2% of average load 0.195044 LDB: Average compute 0.004372 is 2.2% of average load 0.195044 LDB: TIME 4235.18 LOAD: AVG 0.195044 MAX 0.214538 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.676 MB LDB: TIME 4235.18 LOAD: AVG 0.195044 MAX 0.214538 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.676 MB LDB: TIME 4235.18 LOAD: AVG 0.195044 MAX 0.214538 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.676 MB LDB: ============== END OF LOAD BALANCING =============== 4235.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4235.18 PRESSURE: 1352400 -243.191 -212.002 -76.1672 -212.002 -150.52 -17.5379 -76.1675 -17.5387 -254.679 GPRESSURE: 1352400 -223.572 -121.785 -107.071 -237.519 -123.1 -86.8203 -165.526 -46.6803 -221.428 PRESSAVG: 1352400 -84.951 5.11662 50.515 5.11655 98.0457 -14.7374 50.515 -14.7374 -9.64116 GPRESSAVG: 1352400 -85.6881 8.91141 50.1003 5.65616 98.5334 -14.5723 50.8346 -14.7515 -9.72841 TIMING: 1352400 CPU: 4223.02, 0.00322027/step Wall: 4223.02, 0.00322026/step, 3.26284 hours remaining, 234.957031 MB of memory in use. ENERGY: 1352400 3944.7016 20305.2679 14418.7398 263.4154 -202819.5786 2501.1217 0.0000 0.0000 52064.4925 -109321.8397 299.2154 -161386.3322 -108965.0996 298.4439 -216.1299 -189.3665 764333.8192 1.1512 1.0390 PRESSURE: 1352600 14.0462 194.477 164.82 194.477 -165.695 -104.282 164.82 -104.281 31.0916 GPRESSURE: 1352600 33.2529 69.5826 158.389 230.495 -117.217 -23.1036 143.686 -32.446 50.6546 PRESSAVG: 1352600 6.55483 16.851 23.808 16.8511 28.003 -28.195 23.808 -28.195 -9.01534 GPRESSAVG: 1352600 6.56742 15.6842 24.3171 13.6671 27.8815 -29.2925 24.1976 -25.7757 -9.24968 TIMING: 1352600 CPU: 4223.65, 0.00314047/step Wall: 4223.65, 0.00314047/step, 3.18182 hours remaining, 234.957031 MB of memory in use. ENERGY: 1352600 4030.5914 20396.3821 14436.5127 248.5924 -203209.4245 2799.4459 0.0000 0.0000 52104.9626 -109192.9374 299.4479 -161297.9000 -108832.2394 298.9523 -40.1858 -11.1032 761865.7183 8.5142 8.3997 PRESSURE: 1352800 -112.808 -93.003 -150.384 -93.002 7.01507 -39.938 -150.385 -39.9378 -56.7922 GPRESSURE: 1352800 -29.0872 -145.982 -174.435 21.3545 30.2668 -87.1882 -207.127 -80.0367 -78.6027 PRESSAVG: 1352800 -24.9586 -15.543 -14.566 -15.543 22.217 1.20492 -14.566 1.20495 -36.7789 GPRESSAVG: 1352800 -25.2471 -16.9644 -14.3702 -12.9861 22.353 0.967905 -15.7966 -0.850993 -36.5184 TIMING: 1352800 CPU: 4224.27, 0.00313234/step Wall: 4224.27, 0.00313235/step, 3.17341 hours remaining, 234.957031 MB of memory in use. ENERGY: 1352800 3946.0381 20609.6986 14463.7148 251.8264 -203276.3159 2772.3663 0.0000 0.0000 52246.8827 -108985.7889 300.2636 -161232.6716 -108620.9433 298.9233 -54.1950 -25.8077 762366.5779 -13.1735 -13.1375 PRESSURE: 1353000 -84.6553 -220.4 59.3802 -220.401 -242.652 224.911 59.3796 224.911 -73.4128 GPRESSURE: 1353000 -143.565 -109.785 68.4837 -101.671 -174.28 309.002 175.433 289.67 1.73971 PRESSAVG: 1353000 14.1665 -1.1063 55.8399 -1.10634 21.7983 20.9917 55.8399 20.9917 -15.1555 GPRESSAVG: 1353000 14.5707 -1.60005 57.0001 0.798066 22.2843 20.7582 56.8427 20.8348 -15.9526 TIMING: 1353000 CPU: 4224.9, 0.00313719/step Wall: 4224.9, 0.00313719/step, 3.17814 hours remaining, 234.957031 MB of memory in use. ENERGY: 1353000 3946.0192 20601.9583 14423.0058 241.3003 -202912.0968 2558.1683 0.0000 0.0000 52057.4036 -109084.2414 299.1746 -161141.6450 -108723.4709 299.4579 -133.5734 -105.3683 761932.2708 6.9364 6.9674 PRESSURE: 1353200 -292.002 139.354 -256.927 139.353 349.708 -157.713 -256.928 -157.714 -385.865 GPRESSURE: 1353200 -165.804 89.843 -286.096 101.342 345.568 -256.867 -183.632 -117.587 -423.726 PRESSAVG: 1353200 1.10696 -24.9175 27.398 -24.9175 47.0128 42.4014 27.398 42.4014 25.0691 GPRESSAVG: 1353200 0.123309 -25.0645 25.8271 -26.3162 47.0498 41.9543 30.5193 43.8192 25.7486 TIMING: 1353200 CPU: 4225.52, 0.00312096/step Wall: 4225.52, 0.00312096/step, 3.16153 hours remaining, 234.957031 MB of memory in use. ENERGY: 1353200 3987.5724 20441.6431 14510.9716 262.0517 -202582.1083 2477.4715 0.0000 0.0000 51842.1612 -109060.2368 297.9376 -160902.3980 -108689.9549 299.2245 -109.3864 -81.3206 763752.9365 24.3963 24.3072 PRESSURE: 1353400 42.1183 -228.244 11.6719 -228.244 -3.48092 203.961 11.6724 203.96 142.354 GPRESSURE: 1353400 186.702 -243.014 36.2848 -223.553 -58.7275 237.791 -0.871182 158.007 132.899 PRESSAVG: 1353400 -33.2142 1.68892 19.7824 1.68888 18.1671 16.8341 19.7825 16.834 -19.4983 GPRESSAVG: 1353400 -33.4351 2.32017 21.9743 1.801 17.9541 19.0502 15.785 13.9745 -18.924 TIMING: 1353400 CPU: 4226.15, 0.00313734/step Wall: 4226.15, 0.00313734/step, 3.17795 hours remaining, 234.957031 MB of memory in use. ENERGY: 1353400 3929.8222 20533.3447 14428.2455 240.9962 -203288.4732 2851.2478 0.0000 0.0000 52189.4188 -109115.3980 299.9333 -161304.8168 -108758.3533 298.8854 60.3303 86.9579 762625.8760 -11.5152 -11.4683 PRESSURE: 1353600 113.325 -56.8098 -88.6262 -56.8092 -77.1084 110.308 -88.6264 110.307 -376.592 GPRESSURE: 1353600 166.203 -105.495 -99.0768 -79.3445 -102.598 146.274 -34.3639 6.6824 -334.713 PRESSAVG: 1353600 23.7849 -19.0855 18.1905 -19.0855 15.9685 13.4717 18.1906 13.4718 -19.8537 GPRESSAVG: 1353600 24.0859 -17.8391 17.3629 -21.1968 14.8134 12.3309 18.4414 14.7726 -19.6891 TIMING: 1353600 CPU: 4226.78, 0.00314067/step Wall: 4226.78, 0.00314067/step, 3.18115 hours remaining, 234.957031 MB of memory in use. ENERGY: 1353600 3997.5637 20421.2089 14470.1671 256.6482 -202637.6700 2565.1477 0.0000 0.0000 51960.4977 -108966.4367 298.6177 -160926.9344 -108600.1695 299.1027 -113.4585 -90.3690 765538.8960 6.6333 6.4034 PRESSURE: 1353800 233.867 112.56 258.367 112.56 412.809 -11.003 258.367 -11.0029 -66.6794 GPRESSURE: 1353800 226.873 111.184 278.2 -26.9562 398.52 -19.1411 112.97 -57.6297 32.6233 PRESSAVG: 1353800 3.75068 5.35809 32.1645 5.35813 -20.6771 -48.3956 32.1645 -48.3956 3.41054 GPRESSAVG: 1353800 3.76847 4.86315 30.2292 6.65615 -19.0503 -47.3637 32.5602 -48.2692 2.16231 TIMING: 1353800 CPU: 4227.4, 0.00312036/step Wall: 4227.4, 0.00312036/step, 3.16041 hours remaining, 234.957031 MB of memory in use. ENERGY: 1353800 4036.2739 20451.2932 14445.7211 244.9942 -203323.4674 3036.5185 0.0000 0.0000 52238.6536 -108870.0128 300.2163 -161108.6664 -108510.7189 299.5255 193.3320 219.3388 763370.1861 -4.5053 -4.3732 PRESSURE: 1354000 -246.151 7.23948 72.876 7.23962 133.525 -64.0627 72.8764 -64.062 -258.431 GPRESSURE: 1354000 -128.729 -75.169 85.7521 11.7502 122.366 17.5417 56.3682 -118.958 -287.83 PRESSAVG: 1354000 -9.92676 -7.04987 -3.50173 -7.04988 -5.5869 -27.0456 -3.5017 -27.0455 6.31982 GPRESSAVG: 1354000 -8.21229 -8.98932 -1.99562 -6.03673 -6.39339 -27.4344 -3.30349 -29.3948 5.6696 TIMING: 1354000 CPU: 4228.03, 0.00312625/step Wall: 4228.03, 0.00312625/step, 3.16619 hours remaining, 234.957031 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: 1354000 3992.2552 20557.4740 14455.3595 247.3768 -202619.1907 2394.5176 0.0000 0.0000 52051.3984 -108920.8093 299.1401 -160972.2077 -108573.6091 299.3216 -123.6857 -98.0643 764010.7667 -3.0646 -2.9787 PRESSURE: 1354200 50.7308 150.044 -22.0082 150.043 -42.8021 15.0509 -22.0081 15.051 13.6212 GPRESSURE: 1354200 13.0649 31.9162 -47.7117 239.52 75.8844 28.949 114.299 46.8874 36.3813 PRESSAVG: 1354200 12.2821 10.576 -7.75474 10.576 -11.2121 -49.4705 -7.75471 -49.4705 -20.416 GPRESSAVG: 1354200 11.236 11.6399 -6.52672 8.20516 -10.0019 -50.5753 -7.82187 -46.1334 -20.5486 TIMING: 1354200 CPU: 4228.65, 0.00312728/step Wall: 4228.65, 0.00312728/step, 3.16707 hours remaining, 234.957031 MB of memory in use. ENERGY: 1354200 4045.3325 20428.9350 14462.4154 237.9903 -203054.1699 2786.6216 0.0000 0.0000 52046.5600 -109046.3150 299.1123 -161092.8750 -108679.5144 299.4705 7.1833 41.7769 762811.1579 -6.4486 -6.4382 PRESSURE: 1354400 -208.332 -281.179 39.604 -281.178 -107.459 -115.576 39.6048 -115.576 -109.634 GPRESSURE: 1354400 -110.094 -257.339 21.4839 -227.043 9.4841 -91.3633 37.9842 -138.407 -214.801 PRESSAVG: 1354400 31.3929 15.7754 -19.6463 15.7754 -20.0045 -4.60629 -19.6463 -4.60621 5.71614 GPRESSAVG: 1354400 31.092 14.5942 -21.3863 16.8208 -20.0883 -2.90127 -21.304 -4.13262 6.29595 TIMING: 1354400 CPU: 4229.28, 0.00313484/step Wall: 4229.28, 0.00313484/step, 3.17455 hours remaining, 234.957031 MB of memory in use. ENERGY: 1354400 4004.3654 20467.9870 14466.3348 249.1022 -203204.1310 2769.7472 0.0000 0.0000 51987.9028 -109258.6914 298.7752 -161246.5942 -108903.5837 298.9033 -141.8083 -105.1370 763509.9144 5.7015 5.7666 PRESSURE: 1354600 -280.35 177.71 174.137 177.71 -345.939 -264.541 174.137 -264.54 -469.074 GPRESSURE: 1354600 -318.48 122.649 255.02 166.64 -250.518 -287.686 68.0947 -284.034 -445.335 PRESSAVG: 1354600 46.5197 -47.1851 26.8541 -47.1852 -54.3677 -9.64326 26.8541 -9.64323 -20.4062 GPRESSAVG: 1354600 45.5762 -46.7841 26.4861 -46.4189 -54.6167 -11.3515 28.8781 -10.1728 -19.9454 TIMING: 1354600 CPU: 4229.9, 0.00311526/step Wall: 4229.9, 0.00311525/step, 3.15454 hours remaining, 234.957031 MB of memory in use. ENERGY: 1354600 4066.5560 20385.0878 14418.5547 242.9640 -202827.1433 2589.0933 0.0000 0.0000 51945.8183 -109179.0692 298.5333 -161124.8875 -108821.2231 298.8495 -365.1210 -338.1112 766035.9852 -9.4181 -9.6620 PRESSURE: 1354800 44.1809 -305.161 -49.7078 -305.161 207.588 92.9775 -49.7081 92.9783 104.325 GPRESSURE: 1354800 74.1819 -209.198 -37.0614 -266.413 260.056 108.628 -90.497 182.035 125.511 PRESSAVG: 1354800 -32.5641 -0.610047 47.7556 -0.610002 13.0188 -2.81505 47.7556 -2.81507 22.552 GPRESSAVG: 1354800 -32.2602 1.44126 48.7176 -2.43052 13.7872 -2.01896 47.4534 -3.673 21.7735 TIMING: 1354800 CPU: 4230.53, 0.00313276/step Wall: 4230.53, 0.00313276/step, 3.17209 hours remaining, 234.957031 MB of memory in use. ENERGY: 1354800 3937.4212 20458.0577 14431.9760 270.2957 -202931.3050 2773.9760 0.0000 0.0000 51833.4884 -109226.0900 297.8878 -161059.5784 -108860.2333 298.7506 118.6980 153.2495 764387.1850 1.0022 1.1002 PRESSURE: 1355000 -336.115 -29.2304 49.6237 -29.2299 -402.313 179.095 49.6234 179.095 -397.096 GPRESSURE: 1355000 -284.754 -38.544 32.9744 -130.397 -358.018 68.8543 62.4311 300.097 -412.592 PRESSAVG: 1355000 26.2083 4.46342 -28.6858 4.46345 -1.51908 -6.05321 -28.6858 -6.05324 6.61115 GPRESSAVG: 1355000 26.2602 3.13993 -28.7167 4.42277 -1.226 -5.83392 -30.1113 -5.20037 5.97756 TIMING: 1355000 CPU: 4231.15, 0.00311459/step Wall: 4231.15, 0.00311459/step, 3.15352 hours remaining, 234.957031 MB of memory in use. ENERGY: 1355000 4003.7691 20414.2076 14487.3818 233.1539 -202797.8154 2328.8153 0.0000 0.0000 51992.0754 -109338.4122 298.7992 -161330.4876 -108973.5374 299.1523 -378.5079 -351.7879 764280.0701 10.4335 10.3373 PRESSURE: 1355200 345.19 205.305 -18.1376 205.304 -484.585 40.5953 -18.1376 40.5959 228.353 GPRESSURE: 1355200 308.338 129.752 55.4772 173.827 -346.184 -24.8736 -44.6198 -55.8583 203.679 PRESSAVG: 1355200 39.7631 -55.0984 -11.033 -55.0983 -38.7703 -23.0131 -11.033 -23.0131 -12.8266 GPRESSAVG: 1355200 40.1815 -56.649 -10.4354 -54.9916 -39.3641 -23.7081 -13.2458 -22.0168 -13.0546 TIMING: 1355200 CPU: 4231.78, 0.00311153/step Wall: 4231.78, 0.00311153/step, 3.15025 hours remaining, 234.957031 MB of memory in use. ENERGY: 1355200 4065.4741 20414.6244 14513.5547 230.7979 -203339.2210 2925.4687 0.0000 0.0000 51853.0739 -109336.2274 298.0003 -161189.3013 -108977.4302 298.8002 29.6529 55.2779 761626.7769 -3.9446 -4.0791 PRESSURE: 1355400 -267.467 93.2146 -142.525 93.2147 48.8762 -65.9489 -142.527 -65.9493 -52.1837 GPRESSURE: 1355400 -271.352 32.9054 -124.667 128.778 77.2573 3.57589 -52.5985 -43.8777 23.3053 PRESSAVG: 1355400 -25.3137 22.7241 -3.38437 22.7241 16.4557 -25.2662 -3.38439 -25.2662 2.60412 GPRESSAVG: 1355400 -26.954 23.0626 -3.94502 23.4885 15.8991 -22.9611 0.89825 -25.6039 4.3825 TIMING: 1355400 CPU: 4232.4, 0.00313135/step Wall: 4232.4, 0.00313135/step, 3.17015 hours remaining, 234.957031 MB of memory in use. ENERGY: 1355400 3945.5175 20315.7116 14398.8972 257.8591 -203389.6391 2957.8552 0.0000 0.0000 52082.2041 -109431.5943 299.3171 -161513.7984 -109063.0867 298.8037 -90.2583 -56.9297 765006.4353 -2.0846 -2.2241 PRESSURE: 1355600 151.943 1.48681 -192.033 1.48679 -45.1026 237.138 -192.033 237.14 66.4138 GPRESSURE: 1355600 233.097 38.2552 -244.237 69.8695 62.8362 176.109 -107.228 224.747 -16.2809 PRESSAVG: 1355600 53.5599 -12.1391 -39.7407 -12.1391 -73.5257 18.8968 -39.7408 18.8968 -8.19455 GPRESSAVG: 1355600 54.331 -11.933 -40.3986 -11.3097 -73.8712 15.3793 -39.9405 19.693 -9.33656 TIMING: 1355600 CPU: 4233.03, 0.00312805/step Wall: 4233.03, 0.00312805/step, 3.16663 hours remaining, 234.957031 MB of memory in use. ENERGY: 1355600 3996.6869 20384.6339 14497.6614 237.9782 -203610.5544 3062.2193 0.0000 0.0000 51725.3730 -109706.0016 297.2664 -161431.3747 -109347.0615 297.8701 57.7514 93.2174 762116.1400 -9.3868 -9.6256 PRESSURE: 1355800 141.191 -21.3598 6.04757 -21.3601 53.6974 73.2488 6.04733 73.2473 309.608 GPRESSURE: 1355800 223.125 -13.573 -10.0489 -7.61247 122.225 51.7751 -18.1241 85.1991 245.238 PRESSAVG: 1355800 -27.8016 41.8023 -29.0036 41.8023 26.6128 20.4158 -29.0036 20.4157 2.43757 GPRESSAVG: 1355800 -27.7719 42.5879 -28.1553 41.5142 26.9036 23.4443 -29.2488 19.1151 1.65436 TIMING: 1355800 CPU: 4233.66, 0.00313573/step Wall: 4233.66, 0.00313573/step, 3.17423 hours remaining, 234.957031 MB of memory in use. ENERGY: 1355800 3916.8985 20381.7682 14432.7263 247.4864 -203705.1368 3187.8489 0.0000 0.0000 51860.2862 -109678.1223 298.0418 -161538.4085 -109306.8437 297.5737 168.1654 196.8627 763681.0053 0.4163 0.2620 PRESSURE: 1356000 -344.465 -86.4885 -171.481 -86.4892 158.379 145.14 -171.482 145.14 -189.58 GPRESSURE: 1356000 -240.186 -1.59819 -192.398 -79.8252 71.7935 65.4393 -66.7724 101.801 -133.764 PRESSAVG: 1356000 -32.0831 20.9802 -27.8763 20.9803 25.7532 -8.15307 -27.8762 -8.15317 18.7849 GPRESSAVG: 1356000 -32.6375 22.8047 -28.8717 20.3091 25.9321 -9.02097 -28.8772 -9.07013 19.4093 TIMING: 1356000 CPU: 4234.28, 0.00311719/step Wall: 4234.28, 0.00311719/step, 3.15529 hours remaining, 234.957031 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: 1356000 3978.6902 20503.5529 14431.6976 254.5502 -203359.6028 2768.7652 0.0000 0.0000 51710.7712 -109711.5756 297.1825 -161422.3467 -109352.7072 297.6584 -125.2221 -100.7191 764280.7822 4.1517 4.2346 PRESSURE: 1356200 244.016 16.6257 -86.2837 16.6251 -11.0972 -59.7696 -86.283 -59.7692 66.9639 GPRESSURE: 1356200 246.543 -74.4232 -88.0459 33.9234 25.4441 -33.4125 38.3102 80.8073 101.629 PRESSAVG: 1356200 -9.0479 3.05719 -17.2582 3.0572 -0.666842 -40.1969 -17.2582 -40.1969 -21.4727 GPRESSAVG: 1356200 -7.93324 0.472196 -16.9738 4.63814 -1.44626 -38.7743 -15.1806 -39.3243 -21.5668 TIMING: 1356200 CPU: 4234.9, 0.00311124/step Wall: 4234.9, 0.00311123/step, 3.14909 hours remaining, 234.957031 MB of memory in use. ENERGY: 1356200 3977.0004 20568.7536 14365.2070 249.7399 -203280.9571 2875.0663 0.0000 0.0000 51617.5459 -109627.6439 296.6467 -161245.1898 -109266.5962 297.9770 99.9609 124.5386 763110.1916 -10.3958 -10.3154 LDB: ============= START OF LOAD BALANCING ============== 4247.38 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4247.38 LDB: =============== DONE WITH MIGRATION ================ 4247.38 LDB: ============= START OF LOAD BALANCING ============== 4247.69 LDB: Largest compute 6984 load 0.030604 is 15.7% of average load 0.195059 LDB: Average compute 0.004379 is 2.2% of average load 0.195059 LDB: TIME 4247.69 LOAD: AVG 0.195059 MAX 0.214977 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.164 MB LDB: TIME 4247.7 LOAD: AVG 0.195059 MAX 0.214977 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.168 MB LDB: TIME 4247.7 LOAD: AVG 0.195059 MAX 0.214977 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.168 MB LDB: ============== END OF LOAD BALANCING =============== 4247.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4247.7 PRESSURE: 1356400 -174.026 -68.4617 70.9895 -68.4618 -16.657 -118.591 70.9898 -118.591 -188.105 GPRESSURE: 1356400 -95.5626 -23.1595 61.1318 5.28643 22.271 -117.034 74.7036 -90.8595 -209.211 PRESSAVG: 1356400 -60.6646 5.6987 9.78968 5.69867 47.4764 -30.6974 9.78972 -30.6974 26.5844 GPRESSAVG: 1356400 -61.102 5.66873 11.6693 7.06284 47.9056 -30.8297 7.08858 -32.0812 27.0427 TIMING: 1356400 CPU: 4235.54, 0.00317685/step Wall: 4235.54, 0.00317685/step, 3.21533 hours remaining, 234.187500 MB of memory in use. ENERGY: 1356400 3863.2622 20591.2873 14401.0085 262.9515 -202915.9009 2446.1185 0.0000 0.0000 51753.7674 -109597.5054 297.4296 -161351.2729 -109235.3742 298.1950 -126.2625 -94.1676 763374.6968 4.4654 4.6154 PRESSURE: 1356600 186.788 -8.76754 -314.961 -8.76813 86.9901 86.0584 -314.961 86.058 267.888 GPRESSURE: 1356600 160.273 51.1422 -146.678 -41.7791 182.302 91.039 -241.688 202.321 289.055 PRESSAVG: 1356600 17.9993 -4.00039 37.3592 -4.00032 -15.7812 -6.29142 37.3593 -6.29146 2.60668 GPRESSAVG: 1356600 17.5909 -2.48539 36.3235 -8.20602 -13.4478 -7.3581 38.1755 -4.73835 0.702099 TIMING: 1356600 CPU: 4236.17, 0.00314408/step Wall: 4236.17, 0.00314408/step, 3.18198 hours remaining, 234.187500 MB of memory in use. ENERGY: 1356600 3946.8207 20578.9260 14396.4002 236.5997 -203229.9610 2804.3304 0.0000 0.0000 51800.8398 -109466.0441 297.7001 -161266.8840 -109110.5519 297.8917 180.5553 210.5433 762096.8513 1.6083 1.6151 PRESSURE: 1356800 -201.975 -292.817 236.545 -292.817 -64.5719 -73.2576 236.546 -73.2568 -197.28 GPRESSURE: 1356800 -166.922 -205.8 260.787 -288.031 -66.4469 -30.7046 32.0949 -39.2001 -165.256 PRESSAVG: 1356800 -30.0028 51.5576 15.7967 51.5576 -4.91068 11.6889 15.7966 11.6889 1.38993 GPRESSAVG: 1356800 -31.3063 51.8642 16.8362 52.076 -6.08306 11.9992 16.8671 10.6548 3.73908 TIMING: 1356800 CPU: 4236.8, 0.0031557/step Wall: 4236.8, 0.0031557/step, 3.19357 hours remaining, 234.187500 MB of memory in use. ENERGY: 1356800 4115.5959 20377.0390 14398.4990 237.4785 -202811.3431 2452.6536 0.0000 0.0000 51941.6951 -109288.3820 298.5096 -161230.0772 -108927.3890 298.6813 -154.6088 -132.8751 763578.8472 -11.1745 -11.2168 PRESSURE: 1357000 -46.1978 -63.7433 149.105 -63.7437 -85.9339 -90.5611 149.105 -90.5597 -43.9004 GPRESSURE: 1357000 32.8537 -119.844 209.691 61.9166 -189.393 -53.1168 109.865 -145.469 75.2758 PRESSAVG: 1357000 8.67182 39.7085 -57.819 39.7086 20.093 40.9754 -57.8189 40.9754 12.9297 GPRESSAVG: 1357000 8.99694 39.2795 -57.1778 40.9639 19.989 41.4121 -60.1071 41.2688 12.018 TIMING: 1357000 CPU: 4237.42, 0.00313847/step Wall: 4237.42, 0.00313847/step, 3.17596 hours remaining, 234.187500 MB of memory in use. ENERGY: 1357000 3973.3405 20311.9952 14450.4010 232.2321 -203422.0664 2945.4922 0.0000 0.0000 52075.9582 -109432.6472 299.2812 -161508.6055 -109056.3114 299.0422 -58.6774 -27.0877 762405.7128 13.8982 13.6680 PRESSURE: 1357200 -296.603 -91.9801 -155.284 -91.9805 -85.4319 -213.683 -155.283 -213.683 456.726 GPRESSURE: 1357200 -246.431 -239.946 -154.466 -194.531 13.8964 -186.536 -164.145 -212.708 383.465 PRESSAVG: 1357200 -12.7969 69.918 -31.9564 69.918 -32.7213 33.9749 -31.9564 33.9749 -1.95473 GPRESSAVG: 1357200 -10.4496 71.1858 -33.5196 68.8908 -33.7776 32.9445 -30.0474 36.4601 -3.31128 TIMING: 1357200 CPU: 4238.05, 0.00312419/step Wall: 4238.05, 0.00312419/step, 3.16134 hours remaining, 234.187500 MB of memory in use. ENERGY: 1357200 3916.7439 20541.8585 14482.9555 252.9621 -203230.7806 2763.5264 0.0000 0.0000 52072.4874 -109200.2468 299.2613 -161272.7342 -108836.1061 299.2821 24.8969 50.3103 762859.2002 -15.8243 -15.8462 PRESSURE: 1357400 -46.4568 57.1023 -102.933 57.1027 200.088 127.557 -102.934 127.556 291.015 GPRESSURE: 1357400 12.5405 77.982 39.5652 28.1034 244.153 51.6741 -124.149 103.489 288.152 PRESSAVG: 1357400 3.00796 -13.7891 27.269 -13.7891 -8.30138 35.3521 27.269 35.3521 -10.8738 GPRESSAVG: 1357400 2.27541 -16.4946 27.728 -13.0284 -8.52247 34.7492 27.0882 33.1785 -9.56033 TIMING: 1357400 CPU: 4238.67, 0.00312202/step Wall: 4238.67, 0.00312202/step, 3.15896 hours remaining, 234.187500 MB of memory in use. ENERGY: 1357400 3964.8042 20287.2699 14524.8855 225.4935 -203190.4867 2677.7425 0.0000 0.0000 52177.5042 -109332.7870 299.8648 -161510.2912 -108968.2254 299.4279 148.2153 181.6155 762717.3721 -5.3891 -5.2691 PRESSURE: 1357600 210.897 -60.0344 -197.289 -60.0345 117.73 30.4938 -197.289 30.4924 156.436 GPRESSURE: 1357600 184.412 -87.6452 -157.443 -105.909 240.509 51.8545 -161.761 26.477 132.624 PRESSAVG: 1357600 8.9065 34.6763 5.09734 34.6763 -5.82862 -21.2445 5.09732 -21.2445 -11.1715 GPRESSAVG: 1357600 8.55034 36.8819 6.08715 34.3623 -5.04821 -21.2265 6.43878 -21.8235 -11.3126 TIMING: 1357600 CPU: 4239.3, 0.00312259/step Wall: 4239.3, 0.00312259/step, 3.15937 hours remaining, 234.187500 MB of memory in use. ENERGY: 1357600 3927.4438 20582.4323 14444.7696 250.6122 -203350.0061 2927.7687 0.0000 0.0000 51885.3314 -109331.6480 298.1857 -161216.9794 -108984.3724 299.1140 161.6876 185.8483 763651.4922 -2.6979 -2.6035 PRESSURE: 1357800 69.2272 236.952 177.539 236.953 -155.65 -205.88 177.54 -205.88 -140.796 GPRESSURE: 1357800 108.637 116.521 173.316 249.69 -133.156 -199.338 267.287 -148.019 -139.583 PRESSAVG: 1357800 9.45793 30.0826 -13.2065 30.0827 -25.4626 -35.0137 -13.2066 -35.0137 -8.393 GPRESSAVG: 1357800 10.3396 28.8304 -14.8223 29.4247 -26.5273 -33.1828 -14.1473 -36.0066 -8.36047 TIMING: 1357800 CPU: 4239.93, 0.00313692/step Wall: 4239.93, 0.00313692/step, 3.17369 hours remaining, 234.187500 MB of memory in use. ENERGY: 1357800 3990.3726 20418.4945 14414.2441 253.7634 -202944.8236 2688.5970 0.0000 0.0000 51885.1353 -109294.2167 298.1846 -161179.3520 -108935.5069 299.0627 -75.7397 -54.7008 763043.6458 -8.1325 -8.1827 PRESSURE: 1358000 89.409 117.599 -102.787 117.599 -76.1212 -131.899 -102.787 -131.898 -28.9661 GPRESSURE: 1358000 93.1545 178.318 -160.014 -1.26832 26.5547 -142.709 -95.8697 -157.769 -67.5288 PRESSAVG: 1358000 -19.2384 -11.5244 39.2181 -11.5244 16.5128 -34.1276 39.2181 -34.1276 -19.2722 GPRESSAVG: 1358000 -19.3416 -10.0753 38.6714 -13.1619 17.9906 -35.2408 41.0432 -31.7876 -20.5128 TIMING: 1358000 CPU: 4240.55, 0.00314815/step Wall: 4240.55, 0.00314816/step, 3.18488 hours remaining, 234.187500 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: 1358000 4025.8936 20288.9496 14429.7490 246.5048 -203135.2463 2750.0194 0.0000 0.0000 52357.5666 -109036.5634 300.8997 -161394.1300 -108671.1648 298.8904 -5.2261 17.3935 762662.2274 -7.3326 -7.2880 PRESSURE: 1358200 -145.054 213.513 36.3855 213.512 -87.4589 -12.0621 36.3859 -12.0622 142.22 GPRESSURE: 1358200 -118.527 157.202 129.052 295.139 -19.1097 -10.3979 -16.6646 -78.3102 142.258 PRESSAVG: 1358200 -11.998 60.8782 8.01474 60.8782 -50.0346 -2.51894 8.01475 -2.5189 -12.2766 GPRESSAVG: 1358200 -12.1906 60.7366 8.13189 63.8688 -49.3387 -4.45271 6.81103 -1.50641 -13.1689 TIMING: 1358200 CPU: 4241.19, 0.0031557/step Wall: 4241.19, 0.0031557/step, 3.19234 hours remaining, 234.187500 MB of memory in use. ENERGY: 1358200 4001.1655 20381.9005 14443.4806 246.8345 -202831.3994 2698.7944 0.0000 0.0000 52131.3538 -108927.8700 299.5996 -161059.2238 -108563.3695 299.5427 -30.0977 1.5406 763729.5477 -24.7697 -24.8994 PRESSURE: 1358400 -219.115 48.1788 30.2996 48.1784 282.269 -193.103 30.2998 -193.102 202.173 GPRESSURE: 1358400 -152.218 128.987 -23.7005 113.723 283.01 -168.415 95.6669 -120.741 217.741 PRESSAVG: 1358400 -16.5274 36.2271 -9.90868 36.2271 10.5905 47.5105 -9.90874 47.5105 15.4495 GPRESSAVG: 1358400 -17.8621 36.1643 -9.26164 34.8163 11.0885 47.3531 -11.5784 44.9539 15.8129 TIMING: 1358400 CPU: 4241.81, 0.0031355/step Wall: 4241.81, 0.0031355/step, 3.17174 hours remaining, 234.187500 MB of memory in use. ENERGY: 1358400 4001.9168 20498.3368 14396.3184 244.8332 -203213.9439 2732.4035 0.0000 0.0000 52246.1400 -109093.9951 300.2593 -161340.1352 -108734.8830 299.6535 88.4422 116.1776 762229.8204 3.1709 3.0131 PRESSURE: 1358600 -262.712 279.801 -150.684 279.801 4.38932 -254.514 -150.683 -254.513 375.748 GPRESSURE: 1358600 -82.6328 153.91 -83.5965 190.583 -62.1073 -189.487 -184.257 -194.051 364.996 PRESSAVG: 1358600 -53.897 5.382 -28.8643 5.38197 49.3136 0.02863 -28.8643 0.0286457 2.08059 GPRESSAVG: 1358600 -52.8739 3.79666 -27.827 4.62062 46.8742 2.15407 -25.1285 0.317158 3.56516 TIMING: 1358600 CPU: 4242.44, 0.00312075/step Wall: 4242.44, 0.00312074/step, 3.15663 hours remaining, 234.187500 MB of memory in use. ENERGY: 1358600 4034.6928 20435.7748 14427.7199 254.4152 -203453.7397 2943.5102 0.0000 0.0000 52205.8786 -109151.7483 300.0279 -161357.6268 -108784.0055 299.4168 39.1416 73.4185 763631.8617 -0.8343 -0.8115 PRESSURE: 1358800 -5.58321 215.067 -196.596 215.067 -382.864 -121.237 -196.595 -121.237 -159.012 GPRESSURE: 1358800 -4.76374 234.571 -199.329 155.952 -331.336 -175.347 -177.681 -90.2936 -125.652 PRESSAVG: 1358800 0.836455 49.0997 -58.6782 49.0997 21.1359 -41.1691 -58.6781 -41.169 3.49308 GPRESSAVG: 1358800 0.8149 50.0968 -58.9017 50.1277 21.7826 -41.2033 -60.052 -41.771 2.03124 TIMING: 1358800 CPU: 4243.06, 0.00311147/step Wall: 4243.06, 0.00311147/step, 3.14708 hours remaining, 234.187500 MB of memory in use. ENERGY: 1358800 4013.2298 20413.9877 14468.3225 269.2175 -203215.0879 2707.6204 0.0000 0.0000 51878.2564 -109464.4536 298.1451 -161342.7100 -109114.3722 298.8169 -182.4866 -153.9172 762016.5382 8.4885 8.2096 PRESSURE: 1359000 -105.258 33.7152 -172.823 33.7151 -45.6147 -97.0933 -172.822 -97.0937 -241.361 GPRESSURE: 1359000 -109.539 -71.6901 -178.598 93.7569 -29.1217 -203.02 -77.3797 -48.7804 -149.743 PRESSAVG: 1359000 -5.21145 66.5859 -59.028 66.5859 42.8853 -39.5979 -59.028 -39.5978 -16.4767 GPRESSAVG: 1359000 -6.23727 67.0606 -59.3796 65.9189 43.2787 -38.7333 -58.0206 -40.3324 -15.6518 TIMING: 1359000 CPU: 4243.69, 0.00314299/step Wall: 4243.69, 0.00314299/step, 3.17878 hours remaining, 234.187500 MB of memory in use. ENERGY: 1359000 3989.2187 20403.0359 14441.7914 258.0720 -203069.0080 2667.0513 0.0000 0.0000 51938.6270 -109371.2116 298.4920 -161309.8387 -109010.5902 299.0108 -130.7444 -96.1345 763508.9834 7.0657 7.1299 PRESSURE: 1359200 -154.754 34.623 -84.8319 34.6228 78.6518 18.66 -84.8315 18.6609 397.827 GPRESSURE: 1359200 -111.634 67.3479 -107.501 159.016 93.3968 53.8606 -301.63 50.7785 414.623 PRESSAVG: 1359200 -14.6866 18.6878 -7.84735 18.6878 36.5409 -24.5908 -7.84729 -24.5908 -3.22315 GPRESSAVG: 1359200 -14.5197 18.0641 -6.98208 21.2756 35.8098 -26.0669 -11.1924 -20.6933 -2.72899 TIMING: 1359200 CPU: 4244.32, 0.00314463/step Wall: 4244.32, 0.00314463/step, 3.18027 hours remaining, 234.187500 MB of memory in use. ENERGY: 1359200 4065.3304 20605.1648 14479.7699 254.7551 -203133.1529 2712.8589 0.0000 0.0000 51875.7263 -109139.5476 298.1305 -161015.2739 -108779.0689 299.3430 107.2416 132.1288 764531.5084 6.2104 6.1870 PRESSURE: 1359400 -345.87 143.483 83.4458 143.483 -75.0695 -125.711 83.4457 -125.709 -6.45508 GPRESSURE: 1359400 -266.973 158.095 23.1216 -36.0926 -93.0548 -174.529 135.314 -55.5903 18.216 PRESSAVG: 1359400 16.4852 -19.6161 -15.2954 -19.6161 -17.7056 -17.8979 -15.2954 -17.8978 -22.5474 GPRESSAVG: 1359400 17.4857 -17.6132 -15.9823 -22.5661 -18.0535 -18.2023 -13.2559 -18.6229 -23.132 TIMING: 1359400 CPU: 4244.94, 0.0031287/step Wall: 4244.94, 0.0031287/step, 3.16398 hours remaining, 234.187500 MB of memory in use. ENERGY: 1359400 3996.6177 20494.5627 14438.2035 247.7084 -202955.1037 2223.2430 0.0000 0.0000 52434.7606 -109120.0078 301.3433 -161554.7683 -108744.6020 298.9804 -142.4649 -113.9374 762775.6806 -7.9226 -7.8999 PRESSURE: 1359600 381.759 200.837 14.7315 200.837 -2.66327 -2.03067 14.7325 -2.02972 -241.155 GPRESSURE: 1359600 410.329 143.682 -37.4509 81.6719 75.6954 -12.3432 78.9912 22.5597 -260.637 PRESSAVG: 1359600 19.191 5.1299 10.5427 5.12994 -18.4424 33.8677 10.5427 33.8676 -2.50015 GPRESSAVG: 1359600 19.3457 3.81019 11.5712 5.53063 -17.6916 35.2042 11.5072 35.5112 -3.84478 TIMING: 1359600 CPU: 4245.57, 0.00311923/step Wall: 4245.57, 0.00311923/step, 3.15423 hours remaining, 234.187500 MB of memory in use. ENERGY: 1359600 4031.1888 20452.5040 14509.0806 257.3491 -202877.7406 2559.3302 0.0000 0.0000 52085.1164 -108983.1717 299.3339 -161068.2880 -108628.3490 299.6532 45.9803 75.1292 763175.5757 -0.5838 -0.7302 PRESSURE: 1359800 -207.653 -68.5556 -10.1276 -68.5551 -8.53267 35.4871 -10.1284 35.4881 37.8975 GPRESSURE: 1359800 -114.379 -64.647 73.2375 -150.923 40.0564 56.5553 -2.72568 -35.028 -16.349 PRESSAVG: 1359800 -1.48244 82.2317 -23.7659 82.2317 14.3142 -12.3943 -23.7659 -12.3943 -9.27086 GPRESSAVG: 1359800 -3.18367 81.1111 -25.2323 83.496 13.9165 -13.5397 -26.9634 -14.1146 -7.73991 TIMING: 1359800 CPU: 4246.19, 0.0031287/step Wall: 4246.19, 0.0031287/step, 3.16363 hours remaining, 234.187500 MB of memory in use. ENERGY: 1359800 4072.1995 20615.7741 14501.1572 237.0667 -203147.7646 2692.9927 0.0000 0.0000 52185.0794 -108843.4950 299.9084 -161028.5745 -108479.8045 299.8408 -59.4295 -30.2239 762012.3849 1.1870 0.9976 PRESSURE: 1360000 -46.0902 132.246 115.902 132.246 85.3112 37.6126 115.903 37.613 554.827 GPRESSURE: 1360000 -66.4602 -22.4828 125.143 179.705 154.304 153.356 343.014 -35.9741 611.517 PRESSAVG: 1360000 -7.6016 14.112 -12.2274 14.1119 -7.63875 38.6469 -12.2274 38.6469 -9.11014 GPRESSAVG: 1360000 -6.47362 11.2983 -11.0711 15.2447 -6.99771 39.2032 -9.56193 37.7063 -10.4744 TIMING: 1360000 CPU: 4246.82, 0.00313972/step Wall: 4246.82, 0.00313972/step, 3.1746 hours remaining, 234.187500 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: 1360000 3940.8543 20415.1652 14505.8558 240.7844 -202776.9414 2515.8231 0.0000 0.0000 52177.0819 -108981.3765 299.8624 -161158.4584 -108622.7731 299.6380 198.0161 233.1201 763306.2079 -8.1168 -7.9819 PRESSURE: 1360200 -172.073 -17.1052 -84.2344 -17.1055 269.638 99.1715 -84.234 99.1707 185.237 GPRESSURE: 1360200 -20.9209 24.4521 -138.597 -24.3114 233.297 79.642 -71.2838 17.2829 156.983 PRESSAVG: 1360200 19.5532 -17.1861 -48.0191 -17.1861 -6.99245 5.80438 -48.0191 5.80432 17.5879 GPRESSAVG: 1360200 19.1407 -12.4484 -50.8197 -18.6381 -8.66456 6.49699 -45.542 4.78417 19.3144 TIMING: 1360200 CPU: 4247.45, 0.00312789/step Wall: 4247.45, 0.00312789/step, 3.16247 hours remaining, 234.187500 MB of memory in use. ENERGY: 1360200 4012.9927 20473.0416 14432.2595 263.3285 -203155.5656 2795.1740 0.0000 0.0000 52342.6558 -108836.1136 300.8140 -161178.7694 -108473.7780 299.5828 94.2674 123.1197 762119.8794 10.0495 9.9302 LDB: ============= START OF LOAD BALANCING ============== 4259.92 LDB: ============== END OF LOAD BALANCING =============== 4259.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4259.93 LDB: ============= START OF LOAD BALANCING ============== 4260.24 LDB: Largest compute 6983 load 0.030093 is 15.4% of average load 0.195071 LDB: Average compute 0.004377 is 2.2% of average load 0.195071 LDB: TIME 4260.25 LOAD: AVG 0.195071 MAX 0.215826 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.215 MB LDB: TIME 4260.25 LOAD: AVG 0.195071 MAX 0.215826 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.309 MB LDB: TIME 4260.25 LOAD: AVG 0.195071 MAX 0.215826 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.309 MB LDB: ============== END OF LOAD BALANCING =============== 4260.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4260.25 PRESSURE: 1360400 189.726 73.8632 165.408 73.8648 213.3 -136.331 165.408 -136.331 193.799 GPRESSURE: 1360400 261.151 26.8532 53.6354 183.61 269.391 -75.4557 129.516 -48.885 166.948 PRESSAVG: 1360400 -68.479 -57.2452 -44.9318 -57.2452 68.4888 -10.6448 -44.9318 -10.6448 8.52346 GPRESSAVG: 1360400 -68.5935 -60.1155 -44.1875 -55.9042 69.2801 -13.1967 -49.7839 -10.0346 7.3833 TIMING: 1360400 CPU: 4248.09, 0.00321215/step Wall: 4248.09, 0.00321215/step, 3.24748 hours remaining, 233.800781 MB of memory in use. ENERGY: 1360400 4013.7032 20494.4602 14438.2677 241.2708 -202725.8845 2623.2356 0.0000 0.0000 52132.8355 -108782.1114 299.6081 -160914.9469 -108416.2242 299.6486 198.9419 232.4967 763651.4997 2.8444 2.6900 PRESSURE: 1360600 102.11 -202.1 70.8645 -202.1 57.4413 -72.1056 70.8641 -72.106 -209.212 GPRESSURE: 1360600 56.9795 -129.654 126.671 -173.187 138.036 3.11614 69.2644 -145.717 -171.242 PRESSAVG: 1360600 34.1445 23.6234 -39.0235 23.6234 -28.9218 -67.3174 -39.0235 -67.3174 -2.7002 GPRESSAVG: 1360600 33.7412 23.9606 -36.4602 23.032 -29.0634 -64.9794 -37.0374 -66.8195 -2.10575 TIMING: 1360600 CPU: 4248.72, 0.00314091/step Wall: 4248.72, 0.00314091/step, 3.17529 hours remaining, 233.945312 MB of memory in use. ENERGY: 1360600 3955.0482 20613.8524 14429.7374 252.8062 -202699.8875 2552.2858 0.0000 0.0000 52090.4903 -108805.6672 299.3648 -160896.1575 -108447.4847 300.1146 -16.5537 7.9248 764152.2089 0.8408 0.8573 PRESSURE: 1360800 -131.795 81.7159 -186.183 81.7158 222.955 11.0903 -186.183 11.09 -403.949 GPRESSURE: 1360800 -96.6004 78.935 -214.72 24.177 282.73 48.7609 -252.293 -124.711 -394.705 PRESSAVG: 1360800 -26.8069 56.9425 -63.5006 56.9424 42.363 -22.5479 -63.5006 -22.5478 0.590352 GPRESSAVG: 1360800 -26.4159 58.8568 -64.2675 55.6621 41.9355 -21.9265 -64.5941 -23.4539 0.186209 TIMING: 1360800 CPU: 4249.34, 0.00313339/step Wall: 4249.34, 0.00313339/step, 3.16751 hours remaining, 233.945312 MB of memory in use. ENERGY: 1360800 4034.3204 20401.9783 14436.5398 240.3426 -202992.5784 2734.0441 0.0000 0.0000 52347.1938 -108798.1594 300.8400 -161145.3532 -108420.7149 299.8144 -104.2629 -69.5252 763644.0476 5.3821 5.2353 PRESSURE: 1361000 -500.739 -111.629 143.361 -111.628 -19.8372 -9.48296 143.361 -9.48274 -4.6485 GPRESSURE: 1361000 -427.767 -91.0925 144.422 -124.103 -40.8095 -70.8351 260.774 43.5729 36.3914 PRESSAVG: 1361000 -5.49093 -3.83013 -57.3108 -3.83008 -8.14738 33.2585 -57.3108 33.2585 -2.10299 GPRESSAVG: 1361000 -4.77243 -5.21431 -57.2972 -3.94993 -7.38354 32.2952 -56.0519 33.7839 -3.44606 TIMING: 1361000 CPU: 4249.97, 0.00313571/step Wall: 4249.97, 0.00313571/step, 3.16968 hours remaining, 233.945312 MB of memory in use. ENERGY: 1361000 3996.5382 20462.1762 14349.2949 263.6288 -202672.0344 2567.3162 0.0000 0.0000 52221.1927 -108811.8874 300.1159 -161033.0801 -108454.9461 300.0325 -175.0748 -144.0616 765011.4397 -5.2471 -5.2007 PRESSURE: 1361200 -175.993 43.4293 -16.8253 43.4296 -33.8752 -75.6495 -16.8256 -75.6491 -96.164 GPRESSURE: 1361200 -102.041 65.5601 -103.658 14.1737 -2.86383 -37.8877 54.6257 -238.045 -89.3508 PRESSAVG: 1361200 -18.632 -6.31272 10.1352 -6.31266 36.4451 -33.5473 10.1352 -33.5473 -10.042 GPRESSAVG: 1361200 -18.4052 -6.09444 8.629 -5.70438 34.6462 -33.8294 10.2363 -32.8476 -9.11405 TIMING: 1361200 CPU: 4250.6, 0.00314706/step Wall: 4250.6, 0.00314705/step, 3.18097 hours remaining, 233.945312 MB of memory in use. ENERGY: 1361200 4020.6820 20610.8638 14477.7204 262.6668 -202860.8510 2597.1228 0.0000 0.0000 52043.8524 -108847.9428 299.0967 -160891.7952 -108484.5847 299.8052 -102.0106 -64.7519 762418.6283 2.5904 2.3756 PRESSURE: 1361400 28.4503 -25.0068 -113.531 -25.0062 294.64 172.552 -113.531 172.552 -194.71 GPRESSURE: 1361400 76.6187 33.3095 -122.381 42.0861 375.842 167.425 -46.5947 208.984 -244.478 PRESSAVG: 1361400 6.22542 -23.7027 -11.1563 -23.7028 -46.7397 -61.6489 -11.1563 -61.6489 -16.8787 GPRESSAVG: 1361400 4.28496 -23.8466 -9.87714 -24.447 -45.5115 -63.5319 -10.7822 -60.6643 -15.9595 TIMING: 1361400 CPU: 4251.23, 0.00313084/step Wall: 4251.23, 0.00313084/step, 3.16441 hours remaining, 233.945312 MB of memory in use. ENERGY: 1361400 3921.5992 20673.1513 14430.6285 264.8894 -203100.9099 2924.5606 0.0000 0.0000 52109.8508 -108776.2300 299.4760 -160886.0808 -108407.8607 300.0265 42.7935 69.3275 763304.3277 -19.1310 -19.0620 PRESSURE: 1361600 -47.6346 130.934 -161.195 130.933 -41.8603 -107.005 -161.194 -107.006 114.748 GPRESSURE: 1361600 -4.36213 53.7903 -208.553 159.402 65.8145 -122.043 -162.905 -35.0547 62.0645 PRESSAVG: 1361600 -10.5353 -11.3061 -48.3543 -11.3061 -30.0005 -22.9469 -48.3543 -22.9468 21.806 GPRESSAVG: 1361600 -8.7595 -10.0956 -48.6684 -10.9277 -29.9169 -21.728 -48.1854 -22.7608 20.4383 TIMING: 1361600 CPU: 4251.85, 0.00312828/step Wall: 4251.85, 0.00312828/step, 3.16165 hours remaining, 233.945312 MB of memory in use. ENERGY: 1361600 3996.1024 20428.9720 14390.1380 239.0400 -203044.1947 2749.1914 0.0000 0.0000 52504.1717 -108736.5792 301.7422 -161240.7510 -108375.1536 300.0963 8.4178 41.1723 763615.7213 -6.2433 -6.0794 PRESSURE: 1361800 41.6589 -67.6791 -119.186 -67.6794 -104.217 227.602 -119.187 227.602 -590.902 GPRESSURE: 1361800 90.7911 -59.4008 -90.1135 8.30999 -83.2343 278.105 -204.309 162.186 -571.693 PRESSAVG: 1361800 3.49597 -25.8421 -22.9818 -25.8421 19.4181 -29.0237 -22.9818 -29.0237 -10.8096 GPRESSAVG: 1361800 3.14005 -25.9461 -23.3552 -26.2208 19.4519 -28.1243 -23.2761 -31.6487 -10.4418 TIMING: 1361800 CPU: 4252.48, 0.00312659/step Wall: 4252.48, 0.00312659/step, 3.15976 hours remaining, 233.945312 MB of memory in use. ENERGY: 1361800 3950.0587 20608.7453 14477.0846 251.5982 -202714.8692 2358.4288 0.0000 0.0000 52265.8627 -108803.0909 300.3726 -161068.9537 -108426.6616 300.3299 -217.8199 -188.0455 762382.1948 4.0348 4.0501 PRESSURE: 1362000 68.1999 -10.6641 -200.242 -10.664 64.5215 -213.259 -200.242 -213.259 333.235 GPRESSURE: 1362000 154.985 48.6105 -287.261 25.4423 84.8255 -138.231 -247.544 -214.459 332.625 PRESSAVG: 1362000 48.63 -24.6799 -20.4024 -24.68 -5.02265 -34.6133 -20.4023 -34.6134 -10.8925 GPRESSAVG: 1362000 48.8805 -24.3398 -18.7686 -22.4095 -5.63787 -34.1117 -22.2126 -31.9377 -10.7989 TIMING: 1362000 CPU: 4253.1, 0.00313077/step Wall: 4253.1, 0.00313077/step, 3.16382 hours remaining, 233.945312 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: 1362000 3918.5282 20520.2451 14455.0966 247.9750 -202908.3340 2740.0840 0.0000 0.0000 52170.6718 -108855.7334 299.8256 -161026.4051 -108493.6644 299.9701 155.3187 190.8118 763681.4884 10.9050 10.8146 PRESSURE: 1362200 215.353 101.088 48.2829 101.088 124.421 -10.5076 48.2837 -10.508 365.076 GPRESSURE: 1362200 175.555 131.544 -6.23114 144.716 237.461 -61.3042 32.5931 18.0542 381.821 PRESSAVG: 1362200 -23.0249 30.9577 18.852 30.9577 -7.49895 12.4901 18.852 12.4901 -8.17867 GPRESSAVG: 1362200 -24.3666 31.1763 16.5549 29.1469 -6.15828 12.3612 20.4372 11.2442 -8.74244 TIMING: 1362200 CPU: 4253.73, 0.00312746/step Wall: 4253.73, 0.00312746/step, 3.1603 hours remaining, 233.945312 MB of memory in use. ENERGY: 1362200 3958.1196 20635.9643 14409.9265 259.5220 -203186.2317 3028.8439 0.0000 0.0000 52179.2489 -108714.6064 299.8749 -160893.8553 -108360.9943 299.9372 234.9500 264.9459 761310.3142 -12.9008 -13.0891 PRESSURE: 1362400 -280.252 -28.9283 -187.968 -28.9287 -370.551 -17.5278 -187.968 -17.5269 -83.9406 GPRESSURE: 1362400 -264.212 -32.0919 -172.21 -99.8692 -350.537 63.4296 -175.234 -45.8119 -42.4034 PRESSAVG: 1362400 42.6778 -3.32236 10.5835 -3.32234 -1.44756 47.3927 10.5835 47.3928 5.79559 GPRESSAVG: 1362400 42.5217 -4.87065 13.3026 -5.11339 -2.02707 48.3977 9.01491 46.2283 6.44548 TIMING: 1362400 CPU: 4254.36, 0.00313402/step Wall: 4254.36, 0.00313402/step, 3.16676 hours remaining, 233.945312 MB of memory in use. ENERGY: 1362400 4033.0699 20621.1953 14474.2405 243.8034 -202673.3974 2481.3500 0.0000 0.0000 52285.8162 -108533.9221 300.4873 -160819.7383 -108165.9674 300.2412 -244.9144 -219.0508 763073.2579 15.6753 15.6467 PRESSURE: 1362600 -179.522 15.5934 -38.286 15.5934 -324.556 139.819 -38.2856 139.819 94.6074 GPRESSURE: 1362600 -125.142 -20.3482 -70.825 1.20853 -267.732 209.032 -3.30266 55.9478 74.7108 PRESSAVG: 1362600 18.7992 -5.34857 5.12765 -5.34862 -49.0624 4.07888 5.12762 4.07889 6.00608 GPRESSAVG: 1362600 19.1401 -3.78012 3.44116 -4.00939 -49.8698 2.71031 5.59508 5.05767 6.30117 TIMING: 1362600 CPU: 4254.98, 0.00314411/step Wall: 4254.98, 0.00314411/step, 3.17677 hours remaining, 233.945312 MB of memory in use. ENERGY: 1362600 4050.7390 20515.1011 14466.3699 224.2801 -202917.8578 2536.0161 0.0000 0.0000 52466.4411 -108658.9106 301.5254 -161125.3516 -108285.9571 300.4644 -136.4903 -106.0546 763301.5042 -8.0857 -8.1429 PRESSURE: 1362800 -244.606 -285.196 -52.4916 -285.196 -23.1268 43.7184 -52.491 43.7193 -154.216 GPRESSURE: 1362800 -163.624 -323.311 45.8558 -240.238 43.3049 12.5989 -64.6257 -111.996 -218.142 PRESSAVG: 1362800 3.37716 -51.1508 26.5582 -51.1507 -31.1183 5.07737 26.5583 5.07736 14.7955 GPRESSAVG: 1362800 4.21604 -51.4489 27.9757 -50.3643 -30.5153 4.6044 27.2401 4.31273 13.7211 TIMING: 1362800 CPU: 4255.61, 0.00315068/step Wall: 4255.61, 0.00315068/step, 3.18324 hours remaining, 233.945312 MB of memory in use. ENERGY: 1362800 3907.2669 20556.6375 14473.7781 238.5795 -202503.1458 2289.8814 0.0000 0.0000 52332.0437 -108704.9587 300.7530 -161037.0024 -108331.2777 300.2758 -140.6498 -112.8203 762829.4796 -4.3152 -4.1927 PRESSURE: 1363000 -277.301 -43.4918 111.716 -43.4921 12.4427 173.707 111.716 173.708 -33.0877 GPRESSURE: 1363000 -234.893 -56.8805 133.721 -62.1179 -13.0912 158.464 -75.5396 131.54 27.8016 PRESSAVG: 1363000 -19.4206 -44.3455 -52.44 -44.3455 41.2959 -6.68077 -52.44 -6.68076 -0.402201 GPRESSAVG: 1363000 -19.0794 -45.9924 -52.7573 -44.0877 41.8123 -6.87483 -54.3978 -6.24314 -1.44005 TIMING: 1363000 CPU: 4256.24, 0.00314738/step Wall: 4256.24, 0.00314738/step, 3.17972 hours remaining, 233.945312 MB of memory in use. ENERGY: 1363000 3986.7025 20625.5395 14518.9011 232.7021 -203127.7365 2656.5110 0.0000 0.0000 51984.6263 -109122.7540 298.7564 -161107.3803 -108769.2970 299.5085 -99.3154 -73.3942 763028.2029 7.1577 7.0976 PRESSURE: 1363200 343.148 -79.0801 -234.452 -79.081 234.355 -94.136 -234.453 -94.1361 228.585 GPRESSURE: 1363200 315.249 -81.7258 -231.186 -110.568 294.927 -172.687 -103.213 -232.261 277.396 PRESSAVG: 1363200 1.34583 9.32026 -53.1987 9.32028 -8.96315 1.07644 -53.1987 1.0765 15.4314 GPRESSAVG: 1363200 -0.154503 10.0277 -53.8494 8.12519 -8.72892 2.24662 -51.9163 -0.474694 16.6424 TIMING: 1363200 CPU: 4256.87, 0.00315255/step Wall: 4256.87, 0.00315255/step, 3.18477 hours remaining, 233.945312 MB of memory in use. ENERGY: 1363200 3913.9291 20524.6766 14476.8490 237.8544 -203400.4954 2912.2054 0.0000 0.0000 52152.4256 -109182.5552 299.7207 -161334.9808 -108821.1941 299.4552 268.6960 295.8574 759962.6558 2.6047 2.5863 PRESSURE: 1363400 -233.727 237.365 -81.2644 237.366 -341.46 -3.419 -81.2645 -3.41971 -368.778 GPRESSURE: 1363400 -230.347 276.746 -135.316 315.572 -339.182 -92.7282 -96.2015 39.175 -283.869 PRESSAVG: 1363400 -35.3519 74.6358 -42.0847 74.6359 23.0725 -14.3407 -42.0847 -14.3407 -6.64551 GPRESSAVG: 1363400 -33.3084 76.3103 -41.2661 74.5112 21.074 -15.6652 -41.2991 -12.7762 -6.45221 TIMING: 1363400 CPU: 4257.5, 0.00311369/step Wall: 4257.5, 0.00311369/step, 3.14535 hours remaining, 233.945312 MB of memory in use. ENERGY: 1363400 3878.6989 20510.0303 14512.8057 239.1542 -202724.1475 2260.2086 0.0000 0.0000 51977.4469 -109345.8030 298.7151 -161323.2498 -108978.0177 299.3132 -314.6547 -284.4659 762387.8369 -6.3083 -6.2289 PRESSURE: 1363600 -165.43 4.9838 76.3835 4.98438 -236.741 104.292 76.3831 104.292 -148.883 GPRESSURE: 1363600 -122.311 80.9729 158.882 50.4176 -228.537 -12.1679 -14.469 -82.6003 -128.26 PRESSAVG: 1363600 71.287 66.0955 -34.2436 66.0955 -78.0749 -6.59104 -34.2436 -6.59107 8.90732 GPRESSAVG: 1363600 69.8616 67.0706 -34.4077 66.7012 -77.5864 -6.4625 -34.0891 -5.37865 9.82247 TIMING: 1363600 CPU: 4258.12, 0.00312091/step Wall: 4258.12, 0.00312091/step, 3.15246 hours remaining, 233.945312 MB of memory in use. ENERGY: 1363600 4045.4528 20645.6103 14501.1471 258.5608 -202746.1859 2436.7103 0.0000 0.0000 51767.2034 -109091.5013 297.5068 -160858.7047 -108732.8076 299.1801 -183.6844 -159.7023 763942.3079 0.7065 0.6992 PRESSURE: 1363800 182.165 369.181 -67.478 369.181 -56.2737 -262.432 -67.4785 -262.434 58.6186 GPRESSURE: 1363800 137.954 369.565 -24.8299 205.843 14.8111 -201.082 -10.6337 -230.753 109.376 PRESSAVG: 1363800 52.7003 53.7733 43.9334 53.7734 -63.5473 10.4467 43.9334 10.4467 -2.90932 GPRESSAVG: 1363800 52.4985 52.7964 43.3258 53.2433 -61.34 10.4899 40.854 10.0116 -4.42282 TIMING: 1363800 CPU: 4258.75, 0.00314421/step Wall: 4258.75, 0.00314421/step, 3.17583 hours remaining, 233.945312 MB of memory in use. ENERGY: 1363800 3996.2346 20360.6207 14457.5413 244.4511 -203057.8681 2735.7337 0.0000 0.0000 52295.2241 -108968.0626 300.5414 -161263.2866 -108603.3621 299.7666 61.5033 87.3802 762416.9318 -4.5855 -4.4215 PRESSURE: 1364000 87.9224 -233.988 -2.26601 -233.989 -52.6897 98.8502 -2.26532 98.8504 -29.4645 GPRESSURE: 1364000 87.988 -148.862 -27.7258 -444.832 -34.3337 61.2886 -166.58 -9.38015 31.9891 PRESSAVG: 1364000 50.1325 0.627387 -23.086 0.627366 -22.1219 1.57945 -23.086 1.57948 -16.9757 GPRESSAVG: 1364000 50.5883 -0.234756 -23.6113 -1.60964 -24.5276 3.85254 -19.7906 -0.437506 -15.0855 TIMING: 1364000 CPU: 4259.38, 0.00312735/step Wall: 4259.38, 0.00312735/step, 3.15863 hours remaining, 233.945312 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: 1364000 4047.2257 20457.7222 14416.1201 243.7920 -202980.7168 2888.7642 0.0000 0.0000 51948.0896 -108979.0030 298.5464 -160927.0926 -108621.1990 299.5344 1.9227 28.5478 763636.8096 3.6783 3.6584 PRESSURE: 1364200 -215.139 259.574 -144.687 259.573 -277.661 -275.774 -144.687 -275.774 -383.39 GPRESSURE: 1364200 -186.199 144.93 -137.41 155.343 -246.006 -199.884 -82.0923 -166.013 -348.217 PRESSAVG: 1364200 -32.4718 10.8002 -40.1518 10.8002 11.1253 -46.0886 -40.1518 -46.0886 -13.1893 GPRESSAVG: 1364200 -32.5282 8.17398 -38.8535 13.7426 11.9771 -47.9918 -41.4214 -42.7969 -13.7088 TIMING: 1364200 CPU: 4260, 0.00312397/step Wall: 4260, 0.00312397/step, 3.15504 hours remaining, 233.945312 MB of memory in use. ENERGY: 1364200 4029.2328 20530.5035 14444.9619 272.4385 -203096.2775 2667.5907 0.0000 0.0000 52025.1543 -109126.3958 298.9893 -161151.5501 -108765.2493 299.0806 -292.0630 -260.1407 764523.0071 -11.5119 -11.4200 LDB: ============= START OF LOAD BALANCING ============== 4272.48 LDB: ============== END OF LOAD BALANCING =============== 4272.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4272.48 LDB: ============= START OF LOAD BALANCING ============== 4272.79 LDB: Largest compute 7052 load 0.031068 is 15.9% of average load 0.194956 LDB: Average compute 0.004400 is 2.3% of average load 0.194956 LDB: TIME 4272.8 LOAD: AVG 0.194956 MAX 0.213124 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 4272.8 LOAD: AVG 0.194956 MAX 0.213124 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: TIME 4272.8 LOAD: AVG 0.194956 MAX 0.213124 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: ============== END OF LOAD BALANCING =============== 4272.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4272.8 PRESSURE: 1364400 159.909 -29.4864 -172.715 -29.4867 110.899 113.812 -172.715 113.814 -51.2088 GPRESSURE: 1364400 124.772 56.813 -245.157 -108.491 177.394 94.4625 -148.885 76.048 18.5239 PRESSAVG: 1364400 -25.9677 -5.68788 -78.8414 -5.6879 -5.17046 8.46585 -78.8414 8.46593 -1.21489 GPRESSAVG: 1364400 -25.5192 -0.925267 -80.0133 -6.0033 -4.48943 8.05309 -78.4538 7.5591 -1.81022 TIMING: 1364400 CPU: 4260.64, 0.00318932/step Wall: 4260.64, 0.00318932/step, 3.22086 hours remaining, 235.078125 MB of memory in use. ENERGY: 1364400 3980.8981 20366.6997 14449.6491 245.7373 -203800.8407 3339.1245 0.0000 0.0000 52244.0090 -109174.7231 300.2470 -161418.7320 -108805.3143 299.5954 73.1997 106.8968 763272.7503 -10.7844 -10.6063 PRESSURE: 1364600 2.98839 153.93 135.632 153.929 -206.016 -74.5995 135.633 -74.6007 -394.334 GPRESSURE: 1364600 31.7089 65.3386 77.7763 177.537 -182.866 -6.13968 210.928 -98.5567 -360.311 PRESSAVG: 1364600 -46.1493 -37.05 -35.9117 -37.0499 36.5882 33.0319 -35.9117 33.0318 10.3401 GPRESSAVG: 1364600 -46.4654 -37.7845 -35.3117 -37.7265 36.3799 32.5053 -37.0246 34.521 10.6916 TIMING: 1364600 CPU: 4261.26, 0.00312058/step Wall: 4261.26, 0.00312058/step, 3.15126 hours remaining, 235.078125 MB of memory in use. ENERGY: 1364600 3997.7290 20587.3006 14517.1539 253.4642 -203513.2560 2886.8630 0.0000 0.0000 51943.5234 -109327.2219 298.5201 -161270.7453 -108969.4687 299.0153 -199.1206 -170.4893 762761.8273 0.2597 0.2020 PRESSURE: 1364800 -79.357 -83.9375 -89.5048 -83.9382 -324.66 120.281 -89.5047 120.281 -513.593 GPRESSURE: 1364800 -48.1499 -4.76182 -21.9697 -55.6591 -255.864 112.019 -160.379 33.1142 -526.351 PRESSAVG: 1364800 28.1683 -34.3944 -42.5361 -34.3944 -28.0052 19.7246 -42.5361 19.7246 18.5193 GPRESSAVG: 1364800 28.9526 -34.9692 -40.5557 -34.995 -28.5717 19.3552 -42.1471 19.1277 17.9394 TIMING: 1364800 CPU: 4261.89, 0.00315551/step Wall: 4261.89, 0.00315552/step, 3.18637 hours remaining, 235.078125 MB of memory in use. ENERGY: 1364800 3915.7600 20425.3809 14450.9560 248.7499 -202965.7395 2437.4726 0.0000 0.0000 52036.3621 -109451.0580 299.0537 -161487.4201 -109086.2804 298.8356 -305.8698 -276.7880 762696.0627 6.2274 6.1068 PRESSURE: 1365000 7.34212 10.6129 10.7248 10.6128 590.379 72.3577 10.7253 72.3582 32.3913 GPRESSURE: 1365000 6.35509 -23.2719 57.4236 -106.685 662.351 124.045 -32.6794 41.5363 31.9771 PRESSAVG: 1365000 -36.3385 -13.5513 -24.0874 -13.5513 39.464 12.9315 -24.0873 12.9315 -4.64002 GPRESSAVG: 1365000 -37.0324 -14.3617 -26.3288 -12.1533 40.2339 14.1494 -24.4437 11.0986 -4.65124 TIMING: 1365000 CPU: 4262.52, 0.00315105/step Wall: 4262.52, 0.00315105/step, 3.18169 hours remaining, 235.078125 MB of memory in use. ENERGY: 1365000 4049.9514 20508.8620 14453.6044 237.9099 -203997.6521 3102.3912 0.0000 0.0000 52348.3209 -109296.6122 300.8465 -161644.9332 -108938.7585 298.6765 210.0375 233.5609 761367.2873 -0.5048 -0.4833 PRESSURE: 1365200 -224.437 -49.4805 -88.4399 -49.4795 -363.212 -111.383 -88.4405 -111.383 125.593 GPRESSURE: 1365200 -182.218 53.5499 -169.516 49.2398 -315.094 -65.2611 -34.6065 -144.642 121.676 PRESSAVG: 1365200 16.3066 5.26971 -67.7958 5.26975 -34.493 20.3956 -67.7958 20.3957 19.7496 GPRESSAVG: 1365200 15.5476 6.07829 -67.89 3.63101 -33.8652 20.0342 -68.7571 22.3874 20.2244 TIMING: 1365200 CPU: 4263.16, 0.00315698/step Wall: 4263.16, 0.00315698/step, 3.18749 hours remaining, 235.078125 MB of memory in use. ENERGY: 1365200 3894.9398 20541.2875 14557.3833 247.3291 -203306.4694 2611.9358 0.0000 0.0000 51979.5874 -109474.0065 298.7274 -161453.5939 -109113.4298 298.8634 -154.0187 -125.2120 765024.9303 0.5210 0.6356 PRESSURE: 1365400 295.959 -16.185 -251.689 -16.1856 -247.065 -93.2773 -251.688 -93.2778 -102.385 GPRESSURE: 1365400 283.908 31.8772 -225.298 80.5812 -175.481 -64.5501 -214.801 -60.7759 -98.0624 PRESSAVG: 1365400 61.8925 29.0018 -44.2756 29.0018 -56.4401 -47.1213 -44.2755 -47.1212 -0.684509 GPRESSAVG: 1365400 62.4964 29.2969 -45.2424 30.546 -56.1269 -47.3659 -41.7055 -47.7546 -1.88102 TIMING: 1365400 CPU: 4263.79, 0.00315782/step Wall: 4263.79, 0.00315782/step, 3.18817 hours remaining, 235.078125 MB of memory in use. ENERGY: 1365400 4009.2513 20626.7020 14488.5065 250.3511 -203449.3002 2713.1730 0.0000 0.0000 52003.6162 -109357.7002 298.8655 -161361.3164 -108998.4996 299.2642 -17.8305 3.4551 762132.6508 1.5893 1.4961 PRESSURE: 1365600 -17.9925 -66.6215 -167.486 -66.6219 -54.5013 170.658 -167.485 170.659 -224.646 GPRESSURE: 1365600 136.523 -133.316 -129.391 -38.2106 -96.3274 126.344 -215.996 76.3572 -262.808 PRESSAVG: 1365600 34.9822 1.25226 -42.0826 1.2522 -58.0525 -3.5796 -42.0825 -3.57966 9.44176 GPRESSAVG: 1365600 35.1538 0.395331 -40.5132 1.01662 -58.6186 -4.62624 -43.4723 -2.78056 9.5536 TIMING: 1365600 CPU: 4264.42, 0.00314413/step Wall: 4264.42, 0.00314413/step, 3.17417 hours remaining, 235.078125 MB of memory in use. ENERGY: 1365600 3971.4677 20540.1836 14497.4952 264.6131 -203262.3898 2652.9655 0.0000 0.0000 51852.3761 -109483.2886 297.9963 -161335.6646 -109114.5349 298.8226 -99.0465 -74.2044 762121.0875 -4.5428 -4.6371 PRESSURE: 1365800 -401.555 28.4008 356.528 28.4014 -310.204 -102.067 356.528 -102.067 327.192 GPRESSURE: 1365800 -373.722 23.8658 336.452 -15.683 -226.785 -117.368 245.606 -65.3846 287.616 PRESSAVG: 1365800 -31.6177 13.2407 -69.1006 13.2406 21.5827 -57.6619 -69.1006 -57.6619 -6.13575 GPRESSAVG: 1365800 -32.0579 14.4248 -70.5355 14.4625 19.8957 -56.1721 -69.5094 -59.7122 -4.13642 TIMING: 1365800 CPU: 4265.04, 0.00314166/step Wall: 4265.04, 0.00314166/step, 3.1715 hours remaining, 235.078125 MB of memory in use. ENERGY: 1365800 3959.0099 20580.2272 14398.3115 241.0361 -203414.9382 2662.0361 0.0000 0.0000 51804.5192 -109769.7982 297.7213 -161574.3174 -109404.3157 298.5529 -128.1889 -104.2970 763345.4651 -5.3903 -5.4329 PRESSURE: 1366000 201.844 -242.569 -33.2072 -242.569 270.848 -107.676 -33.2071 -107.676 -28.5715 GPRESSURE: 1366000 201.464 -123.933 77.8576 -262.038 363.223 -113.393 -13.0196 -133.913 -30.7537 PRESSAVG: 1366000 -2.36878 31.962 -72.5693 31.962 -4.57394 -7.17667 -72.5694 -7.1767 -9.0082 GPRESSAVG: 1366000 -2.18672 31.95 -72.8978 32.2376 -3.43668 -8.57059 -69.4998 -7.42267 -10.5078 TIMING: 1366000 CPU: 4265.68, 0.00317201/step Wall: 4265.68, 0.00317201/step, 3.20197 hours remaining, 235.078125 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: 1366000 3973.9539 20560.1373 14431.2870 236.3020 -203796.2901 2962.8098 0.0000 0.0000 52150.3751 -109481.4250 299.7089 -161631.8001 -109113.2315 298.5276 148.0404 177.9776 761341.8417 -5.3170 -5.3771 PRESSURE: 1366200 -218.365 -17.6894 -146.041 -17.6893 -187.216 -87.8425 -146.041 -87.8434 -271.029 GPRESSURE: 1366200 -109.262 8.06596 -208.028 -18.5576 -316.16 -54.9936 -181.512 -65.2459 -164.425 PRESSAVG: 1366200 -15.8634 4.79248 -7.46976 4.79249 -5.79392 -64.5457 -7.46977 -64.5458 13.237 GPRESSAVG: 1366200 -15.4559 3.69525 -7.09991 2.6716 -6.89129 -64.1986 -8.92619 -62.7405 14.0419 TIMING: 1366200 CPU: 4266.3, 0.00313301/step Wall: 4266.3, 0.00313301/step, 3.16242 hours remaining, 235.078125 MB of memory in use. ENERGY: 1366200 3965.7925 20641.6592 14454.6416 240.5108 -203213.7914 2782.2791 0.0000 0.0000 51791.4059 -109337.5022 297.6459 -161128.9082 -108979.8874 299.1528 -225.5367 -196.6155 763389.5113 -2.8068 -2.7684 PRESSURE: 1366400 106.06 95.4906 -149.003 95.4899 13.6905 104.492 -149.003 104.492 -258.796 GPRESSURE: 1366400 50.1157 116.768 -93.3262 68.3924 125.468 159.524 -113.784 -67.7081 -220.33 PRESSAVG: 1366400 -62.5352 2.92364 -46.5 2.92363 11.5887 29.3234 -46.5001 29.3234 11.5149 GPRESSAVG: 1366400 -62.0828 4.1321 -46.3562 4.38297 12.9899 29.2512 -46.7991 29.715 9.67 TIMING: 1366400 CPU: 4266.93, 0.00314639/step Wall: 4266.93, 0.00314639/step, 3.17575 hours remaining, 235.078125 MB of memory in use. ENERGY: 1366400 4039.5166 20718.4855 14398.9655 237.9662 -203569.4208 2813.2311 0.0000 0.0000 51960.4580 -109400.7980 298.6175 -161361.2559 -109042.6675 298.9038 -46.3484 -14.9156 761056.5394 -13.1439 -13.1409 PRESSURE: 1366600 -159.151 68.9252 171.105 68.9249 -349.106 -54.8417 171.104 -54.8432 126.652 GPRESSURE: 1366600 -68.2779 -12.2207 254.977 -4.66773 -333.6 -35.7921 110.377 -143.08 108.719 PRESSAVG: 1366600 -29.0807 23.4934 -39.3309 23.4934 20.8662 31.6949 -39.3309 31.6948 6.3648 GPRESSAVG: 1366600 -29.3272 20.6642 -39.3976 23.7918 20.2144 33.8547 -39.3729 28.8741 6.98761 TIMING: 1366600 CPU: 4267.57, 0.00316735/step Wall: 4267.57, 0.00316735/step, 3.19674 hours remaining, 235.078125 MB of memory in use. ENERGY: 1366600 3966.1739 20503.4021 14476.3142 236.6874 -203423.9788 2651.7250 0.0000 0.0000 52078.6748 -109511.0014 299.2969 -161589.6762 -109146.6975 298.8711 -127.2016 -97.7194 761925.3094 -0.6166 -0.7084 PRESSURE: 1366800 -316.003 13.8872 120.864 13.8876 -598.716 143.112 120.865 143.113 -57.2082 GPRESSURE: 1366800 -321.918 149.797 63.2761 129.106 -567.714 195.151 118.829 259.379 8.64768 PRESSAVG: 1366800 27.2227 37.8949 37.3581 37.8949 -29.1218 -10.4953 37.3581 -10.4953 27.5559 GPRESSAVG: 1366800 27.587 41.067 36.2741 34.6067 -29.1729 -11.7781 37.961 -7.53394 27.4276 TIMING: 1366800 CPU: 4268.2, 0.00315631/step Wall: 4268.2, 0.00315631/step, 3.18541 hours remaining, 235.078125 MB of memory in use. ENERGY: 1366800 4032.5893 20527.0130 14441.1550 255.2370 -203735.4255 2830.5494 0.0000 0.0000 52211.0709 -109437.8110 300.0577 -161648.8819 -109070.5793 298.9939 -323.9756 -293.6613 762456.5284 8.5523 8.6139 PRESSURE: 1367000 177.948 143.537 -387.538 143.538 261.216 -46.0386 -387.539 -46.0388 -92.0339 GPRESSURE: 1367000 210.865 220.065 -357.355 -18.4953 305.95 1.55761 -266.494 -73.4919 -91.6406 PRESSAVG: 1367000 42.7639 34.5631 -1.92313 34.5631 -26.3451 31.8201 -1.92306 31.8201 7.05448 GPRESSAVG: 1367000 42.6836 33.2356 0.261171 36.343 -26.2561 31.4499 -3.38884 31.6143 7.12334 TIMING: 1367000 CPU: 4268.83, 0.00315364/step Wall: 4268.83, 0.00315364/step, 3.18255 hours remaining, 235.078125 MB of memory in use. ENERGY: 1367000 3946.9752 20511.4645 14446.8813 252.1742 -203781.1792 2785.6530 0.0000 0.0000 52316.5788 -109521.4521 300.6641 -161838.0310 -109148.2873 298.8437 115.7099 141.7248 760909.0638 7.8244 7.8503 PRESSURE: 1367200 -292.05 111.031 -81.1865 111.031 -250.006 116.864 -81.1862 116.864 251.021 GPRESSURE: 1367200 -177.952 62.767 -0.371515 114.278 -227.89 133.22 -63.9879 82.4514 208.452 PRESSAVG: 1367200 9.95638 7.02331 -9.01825 7.02331 -21.6763 -20.2069 -9.01825 -20.2069 -14.4062 GPRESSAVG: 1367200 9.06372 5.51888 -10.9097 7.92532 -20.6482 -20.2239 -8.04895 -21.1419 -14.6082 TIMING: 1367200 CPU: 4269.46, 0.00316715/step Wall: 4269.46, 0.00316715/step, 3.19601 hours remaining, 235.078125 MB of memory in use. ENERGY: 1367200 3929.8726 20516.4174 14449.8467 231.9665 -203316.8086 2615.0239 0.0000 0.0000 52024.7988 -109548.8828 298.9872 -161573.6816 -109171.9144 298.5427 -97.0118 -65.7967 762156.8625 -8.7087 -8.7309 PRESSURE: 1367400 -142.541 90.2234 49.1374 90.2238 233.672 75.3702 49.137 75.3705 394.223 GPRESSURE: 1367400 -111.42 52.4409 39.5631 37.4668 237.521 7.96224 1.40921 99.2332 438.579 PRESSAVG: 1367400 0.22251 25.1066 -12.6987 25.1066 -13.6605 -16.034 -12.6987 -16.0339 19.9316 GPRESSAVG: 1367400 0.667214 25.0091 -11.7973 26.0496 -14.5868 -16.3618 -13.6691 -16.1934 20.5462 TIMING: 1367400 CPU: 4270.09, 0.00315396/step Wall: 4270.09, 0.00315396/step, 3.18252 hours remaining, 235.078125 MB of memory in use. ENERGY: 1367400 4021.8451 20549.0875 14433.7663 245.3275 -203130.5494 2728.3223 0.0000 0.0000 52067.7653 -109084.4352 299.2342 -161152.2006 -108718.2512 298.9817 161.7846 188.2268 762890.1938 2.1645 2.2089 PRESSURE: 1367600 -20.1221 154.075 -110.481 154.074 -219.415 78.1627 -110.481 78.1628 -326.454 GPRESSURE: 1367600 -61.5537 49.5108 -169.88 59.708 -166.738 56.2643 -153.022 12.6379 -250.234 PRESSAVG: 1367600 33.8156 37.2558 -35.6506 37.2558 -59.8761 -12.43 -35.6505 -12.43 4.3075 GPRESSAVG: 1367600 34.6274 37.6575 -36.5343 35.813 -59.5257 -13.1859 -36.025 -13.614 3.7158 TIMING: 1367600 CPU: 4270.72, 0.00313466/step Wall: 4270.72, 0.00313466/step, 3.16287 hours remaining, 235.078125 MB of memory in use. ENERGY: 1367600 4045.8270 20563.7342 14498.9631 255.4747 -203158.9937 2801.5916 0.0000 0.0000 51846.2880 -109147.1152 297.9613 -160993.4032 -108792.9070 299.5093 -188.6636 -159.5085 763413.6000 -7.2510 -7.0609 PRESSURE: 1367800 173.219 -202.02 223.3 -202.02 20.6412 149.393 223.3 149.393 41.1001 GPRESSURE: 1367800 188.152 -138.588 179.558 -41.4405 -1.23178 151.351 176.456 109.791 116.796 PRESSAVG: 1367800 25.8376 17.1085 -4.89054 17.1085 -14.0765 -16.3369 -4.89059 -16.3368 19.5125 GPRESSAVG: 1367800 24.6367 17.2733 -3.51899 15.968 -12.9719 -14.5498 -4.09587 -14.9806 19.4313 TIMING: 1367800 CPU: 4271.35, 0.00313455/step Wall: 4271.35, 0.00313455/step, 3.16258 hours remaining, 235.078125 MB of memory in use. ENERGY: 1367800 4010.9106 20440.1804 14477.6535 240.3599 -203217.3485 2762.1812 0.0000 0.0000 52202.9391 -109083.1237 300.0110 -161286.0628 -108722.4996 299.1935 78.3202 101.2385 763337.9119 10.4245 10.3654 PRESSURE: 1368000 63.1917 -150.769 -159.329 -150.77 -281.638 -186.156 -159.328 -186.156 -305.776 GPRESSURE: 1368000 109.707 -188.741 -248.348 -151.035 -320.959 -107.008 -190.01 -109.385 -244.388 PRESSAVG: 1368000 -64.0666 2.80778 -22.209 2.80772 15.3971 -4.36152 -22.2089 -4.36151 18.4283 GPRESSAVG: 1368000 -64.0179 -0.213468 -22.151 3.29863 14.4424 -3.8282 -23.5157 -5.62613 19.0131 TIMING: 1368000 CPU: 4271.98, 0.00315066/step Wall: 4271.98, 0.00315066/step, 3.17867 hours remaining, 235.078125 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: 1368000 4050.5360 20532.1910 14541.0772 245.7871 -203348.2521 2718.9450 0.0000 0.0000 52297.8982 -108961.8175 300.5567 -161259.7158 -108597.8888 299.5368 -174.7407 -151.8797 762664.3898 -10.0804 -10.1875 PRESSURE: 1368200 538.468 -90.3523 -155.091 -90.352 -114.332 -52.2355 -155.092 -52.2357 -63.1138 GPRESSURE: 1368200 540.438 0.557108 -46.6996 6.64416 -2.77885 -9.29043 -178.038 -11.1883 -50.1339 PRESSAVG: 1368200 4.40331 21.1466 -10.9112 21.1467 -1.66804 -6.83323 -10.9112 -6.83315 -8.33338 GPRESSAVG: 1368200 3.63215 23.3767 -10.3793 23.3165 -0.924687 -7.13176 -10.6745 -3.82829 -8.26756 TIMING: 1368200 CPU: 4272.61, 0.00314342/step Wall: 4272.61, 0.00314342/step, 3.17119 hours remaining, 235.078125 MB of memory in use. ENERGY: 1368200 4006.0306 20581.5101 14457.2375 255.6670 -203414.5155 3059.6308 0.0000 0.0000 52055.0498 -108999.3897 299.1611 -161054.4395 -108631.9638 299.8806 120.3408 162.5084 762223.5573 -1.8660 -1.8534 LDB: ============= START OF LOAD BALANCING ============== 4285.09 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4285.09 LDB: =============== DONE WITH MIGRATION ================ 4285.09 LDB: ============= START OF LOAD BALANCING ============== 4285.4 LDB: Largest compute 7052 load 0.030272 is 15.5% of average load 0.195084 LDB: Average compute 0.004385 is 2.2% of average load 0.195084 LDB: TIME 4285.41 LOAD: AVG 0.195084 MAX 0.212979 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.734 MB LDB: TIME 4285.41 LOAD: AVG 0.195084 MAX 0.212979 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.734 MB LDB: TIME 4285.41 LOAD: AVG 0.195084 MAX 0.212979 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.734 MB LDB: ============== END OF LOAD BALANCING =============== 4285.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4285.41 PRESSURE: 1368400 427.664 9.99489 -308.576 9.99575 138.827 75.3612 -308.576 75.3616 -12.6171 GPRESSURE: 1368400 345.073 -33.4067 -269.255 -43.4866 218.369 64.4873 -236.183 -32.9619 69.6533 PRESSAVG: 1368400 5.93257 5.44053 -34.4509 5.44056 -1.12872 -12.7358 -34.4509 -12.7358 2.74338 GPRESSAVG: 1368400 6.77008 7.66871 -35.2773 3.15951 -1.52965 -12.8562 -31.8715 -14.0133 2.68513 TIMING: 1368400 CPU: 4273.25, 0.00320845/step Wall: 4273.25, 0.00320845/step, 3.23661 hours remaining, 236.101562 MB of memory in use. ENERGY: 1368400 3955.4717 20654.9103 14396.6950 232.2471 -203395.5768 2798.2025 0.0000 0.0000 52291.6216 -109066.4285 300.5207 -161358.0501 -108708.7123 299.7379 184.6248 211.0317 761588.0486 2.5157 2.6419 PRESSURE: 1368600 267.665 49.3156 -108.95 49.3149 -38.2153 158.159 -108.95 158.16 287.606 GPRESSURE: 1368600 228.517 121.967 -180.106 -8.34534 73.4721 322.164 -220.156 195.374 302.91 PRESSAVG: 1368600 -41.3489 3.06686 -34.3027 3.06682 61.846 -13.1938 -34.3027 -13.1939 2.15146 GPRESSAVG: 1368600 -41.9596 2.0009 -36.0647 3.58845 62.0108 -14.3499 -35.0617 -10.8886 1.92327 TIMING: 1368600 CPU: 4273.88, 0.00314347/step Wall: 4273.88, 0.00314347/step, 3.17089 hours remaining, 236.304688 MB of memory in use. ENERGY: 1368600 4003.8597 20402.6342 14454.9478 259.4416 -203173.4039 2790.7183 0.0000 0.0000 51893.2703 -109368.5321 298.2313 -161261.8024 -109003.5244 298.9331 172.3520 201.6333 763993.7168 7.5495 7.3248 PRESSURE: 1368800 -127.454 -29.2428 -116.336 -29.2426 -99.4333 235.621 -116.336 235.622 -515.421 GPRESSURE: 1368800 -174.736 -1.92565 6.77045 -70.2839 -70.4567 181.436 -143.698 190.478 -410.735 PRESSAVG: 1368800 31.784 6.82259 12.5903 6.82252 -34.8024 62.7994 12.5903 62.7994 0.618794 GPRESSAVG: 1368800 31.8806 7.7644 14.9761 5.38001 -34.6028 62.712 10.6371 60.3631 0.631922 TIMING: 1368800 CPU: 4274.5, 0.00311813/step Wall: 4274.5, 0.00311813/step, 3.14515 hours remaining, 236.304688 MB of memory in use. ENERGY: 1368800 4034.9380 20288.0955 14429.7429 219.7127 -202992.2676 2771.4007 0.0000 0.0000 51919.8881 -109328.4896 298.3843 -161248.3778 -108962.5241 298.2619 -247.4362 -218.6426 765312.5778 -0.7999 -0.6968 PRESSURE: 1369000 -65.408 -61.2678 -48.0982 -61.2674 -87.6503 116.935 -48.0986 116.936 97.0955 GPRESSURE: 1369000 -45.6682 -17.6177 27.447 -70.7169 -20.4147 110.712 -78.9728 59.2763 107.146 PRESSAVG: 1369000 -15.9626 -17.4703 28.9464 -17.4702 -4.80409 6.59793 28.9464 6.5979 2.00253 GPRESSAVG: 1369000 -15.7931 -17.659 27.7833 -14.5139 -4.91468 7.44278 30.588 8.89373 1.53658 TIMING: 1369000 CPU: 4275.13, 0.00315463/step Wall: 4275.13, 0.00315463/step, 3.1818 hours remaining, 236.304688 MB of memory in use. ENERGY: 1369000 3967.1499 20509.5505 14392.3305 241.4582 -203278.3072 3000.0718 0.0000 0.0000 51743.5559 -109424.1904 297.3709 -161167.7463 -109068.0006 298.4142 -18.6543 13.6876 763307.9900 -6.2547 -6.3904 PRESSURE: 1369200 -350.664 11.9206 -5.53815 11.9203 -146.747 -314.909 -5.53828 -314.91 22.5513 GPRESSURE: 1369200 -320.836 65.1834 -34.0374 -10.6377 -165.392 -208.067 21.4592 -323.83 86.225 PRESSAVG: 1369200 -12.4084 -14.7401 -14.5688 -14.74 3.06546 -39.9617 -14.5688 -39.9617 -4.77145 GPRESSAVG: 1369200 -11.6842 -14.5491 -13.9788 -17.3775 1.62377 -40.6556 -14.9401 -41.2484 -4.82977 TIMING: 1369200 CPU: 4275.76, 0.00313482/step Wall: 4275.76, 0.00313482/step, 3.16164 hours remaining, 236.304688 MB of memory in use. ENERGY: 1369200 3928.8956 20580.7093 14430.1445 237.6374 -202994.4287 2418.5474 0.0000 0.0000 51956.1091 -109442.3854 298.5925 -161398.4945 -109097.9699 298.7433 -158.2864 -133.3344 763589.8573 -4.7048 -4.9634 PRESSURE: 1369400 -205.163 43.382 49.6377 43.3823 -297.021 276.265 49.6378 276.264 151.577 GPRESSURE: 1369400 -162.987 31.0135 29.9256 -20.8598 -236.53 234.449 4.76048 347.885 129.905 PRESSAVG: 1369400 30.6424 -27.3025 -49.8903 -27.3025 -51.9635 -5.26059 -49.8904 -5.26052 2.88454 GPRESSAVG: 1369400 30.6701 -29.583 -50.4929 -24.8812 -50.1644 -5.74311 -50.9308 -4.22942 1.55937 TIMING: 1369400 CPU: 4276.39, 0.00315034/step Wall: 4276.39, 0.00315034/step, 3.17711 hours remaining, 236.304688 MB of memory in use. ENERGY: 1369400 3956.7010 20526.8886 14457.6414 256.0472 -203181.6341 2509.1266 0.0000 0.0000 52062.9380 -109412.2913 299.2064 -161475.2293 -109056.0597 299.1341 -116.8693 -89.8705 762744.9895 -6.1455 -5.9783 PRESSURE: 1369600 28.2516 19.902 -107.519 19.9022 -153.342 51.6195 -107.518 51.62 -185.708 GPRESSURE: 1369600 73.5837 68.4223 -66.0136 -59.896 -146.954 46.3333 -134.352 124.377 -131.724 PRESSAVG: 1369600 47.0254 -9.03772 -22.2494 -9.03775 -15.1213 38.4116 -22.2494 38.4116 39.9311 GPRESSAVG: 1369600 47.0334 -7.09429 -23.5702 -10.7939 -15.982 38.2119 -20.3554 38.2239 40.9614 TIMING: 1369600 CPU: 4277.02, 0.0031672/step Wall: 4277.02, 0.0031672/step, 3.19395 hours remaining, 236.304688 MB of memory in use. ENERGY: 1369600 4046.7301 20356.5023 14430.6103 245.0873 -203441.3612 2791.6818 0.0000 0.0000 51905.2478 -109665.5015 298.3002 -161570.7493 -109306.3717 298.4324 -103.5997 -68.3647 761960.0485 23.9451 24.0043 PRESSURE: 1369800 3.42127 139.251 190.092 139.25 -169.523 87.0439 190.092 87.0437 -435.878 GPRESSURE: 1369800 15.0698 188.54 165.246 99.9951 -93.8773 40.8924 224.749 114.266 -431.798 PRESSAVG: 1369800 21.9546 8.35333 -18.5429 8.35326 -8.56816 -12.483 -18.5428 -12.483 -21.5974 GPRESSAVG: 1369800 21.2869 7.84897 -18.7452 8.77453 -8.52296 -13.1411 -18.0174 -12.9743 -21.2799 TIMING: 1369800 CPU: 4277.65, 0.00315736/step Wall: 4277.65, 0.00315736/step, 3.18385 hours remaining, 236.304688 MB of memory in use. ENERGY: 1369800 4012.7678 20534.8293 14432.9013 238.4662 -203297.8870 2650.3916 0.0000 0.0000 51964.8302 -109463.7006 298.6426 -161428.5308 -109115.1142 298.7444 -200.6598 -170.2019 762233.3272 -2.7370 -2.8386 PRESSURE: 1370000 -550.982 124.339 139.457 124.339 -95.4954 -50.3302 139.458 -50.3299 142.938 GPRESSURE: 1370000 -562.3 181.05 129.327 58.9086 30.0131 -15.9157 83.478 -63.1947 109.887 PRESSAVG: 1370000 -27.6425 -36.9618 15.9927 -36.9618 60.642 24.2982 15.9927 24.2983 -3.53649 GPRESSAVG: 1370000 -26.5363 -38.586 16.2477 -35.0005 61.0805 26.7184 15.799 23.4062 -5.33011 TIMING: 1370000 CPU: 4278.28, 0.00312824/step Wall: 4278.28, 0.00312824/step, 3.15431 hours remaining, 236.304688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1370000 4009.9004 20192.0618 14391.1935 235.7811 -203184.6757 2639.6931 0.0000 0.0000 52117.5405 -109598.5053 299.5202 -161716.0458 -109223.5282 298.1197 -167.8465 -140.7999 762174.3744 9.8210 9.7380 PRESSURE: 1370200 63.4535 -235.175 50.3411 -235.175 229.897 19.3768 50.3419 19.3759 -339.98 GPRESSURE: 1370200 117.797 -195.482 70.6304 -285.287 238.441 -33.0751 6.30773 184.353 -323.784 PRESSAVG: 1370200 -67.8686 -31.1531 -20.5744 -31.1532 69.8516 -10.361 -20.5744 -10.361 -18.3261 GPRESSAVG: 1370200 -66.9043 -26.9123 -21.3644 -35.3659 68.3737 -11.1055 -21.3373 -10.6327 -18.2084 TIMING: 1370200 CPU: 4278.91, 0.00314096/step Wall: 4278.91, 0.00314096/step, 3.16696 hours remaining, 236.304688 MB of memory in use. ENERGY: 1370200 3925.2484 20506.2010 14459.8138 238.5766 -203143.0007 2438.4526 0.0000 0.0000 51988.3298 -109586.3784 298.7776 -161574.7081 -109234.4335 298.5417 -15.5432 10.8180 761410.1345 -5.4477 -5.5797 PRESSURE: 1370400 40.87 87.6417 -35.7776 87.641 125.557 -128.736 -35.777 -128.736 175.479 GPRESSURE: 1370400 -77.3881 197.067 -2.53104 80.9738 313.885 -70.4285 -1.60592 -327.331 183.78 PRESSAVG: 1370400 0.648567 50.3277 16.0627 50.3278 33.1466 8.68131 16.0628 8.68123 8.29996 GPRESSAVG: 1370400 -0.274148 48.9173 19.0377 51.3634 33.3407 9.22617 14.7592 8.51668 9.11961 TIMING: 1370400 CPU: 4279.53, 0.00313216/step Wall: 4279.53, 0.00313216/step, 3.15791 hours remaining, 236.304688 MB of memory in use. ENERGY: 1370400 3932.9688 20400.9892 14437.2431 238.0424 -203190.8442 2681.0555 0.0000 0.0000 51832.3710 -109668.1743 297.8813 -161500.5453 -109310.5028 298.3720 113.9688 140.0922 763774.0087 14.0317 14.0620 PRESSURE: 1370600 -222.766 -7.4033 -62.1321 -7.4027 327.631 162.926 -62.1328 162.925 -23.7126 GPRESSURE: 1370600 -145.794 -40.9193 -72.8008 -33.2479 316.436 133.76 65.5613 79.8226 -8.84851 PRESSAVG: 1370600 -62.6675 -0.83663 -17.2017 -0.836631 19.1713 -28.7228 -17.2017 -28.7228 0.653502 GPRESSAVG: 1370600 -62.779 -3.80715 -17.9071 0.352337 19.1465 -31.3663 -16.8119 -27.7676 0.926748 TIMING: 1370600 CPU: 4280.16, 0.0031465/step Wall: 4280.16, 0.0031465/step, 3.1722 hours remaining, 236.304688 MB of memory in use. ENERGY: 1370600 3845.9376 20541.0374 14402.7855 222.9774 -203297.0668 2597.4800 0.0000 0.0000 52070.8903 -109615.9585 299.2521 -161686.8489 -109254.2752 297.6684 27.0508 53.9311 761518.0338 -14.2809 -14.2352 PRESSURE: 1370800 112.682 -110.421 -208.521 -110.421 -187.532 78.192 -208.52 78.1909 102.616 GPRESSURE: 1370800 172.266 -131.068 -207.457 -46.4947 -150.985 61.2022 -136.259 52.6786 103.898 PRESSAVG: 1370800 26.0627 -30.0845 -32.5454 -30.0845 2.34476 14.9567 -32.5454 14.9567 4.45856 GPRESSAVG: 1370800 25.2311 -30.1464 -32.6953 -29.3449 2.37264 16.48 -29.906 13.2231 5.13407 TIMING: 1370800 CPU: 4280.79, 0.00313337/step Wall: 4280.79, 0.00313337/step, 3.15878 hours remaining, 236.304688 MB of memory in use. ENERGY: 1370800 3984.6638 20414.0217 14454.1121 237.4904 -203235.1549 2744.2186 0.0000 0.0000 51932.0165 -109468.6317 298.4540 -161400.6482 -109111.2306 298.5107 9.2555 41.7261 762477.3318 10.9553 10.9126 PRESSURE: 1371000 -86.5102 -53.0628 -80.3885 -53.0631 -235.49 -92.7436 -80.3887 -92.743 36.6631 GPRESSURE: 1371000 -102.355 -50.4672 -61.2115 -87.1955 -168.2 -13.4544 -158.219 -130.125 92.0477 PRESSAVG: 1371000 -16.2931 48.676 -25.4435 48.676 29.1164 -6.33648 -25.4435 -6.33651 6.42649 GPRESSAVG: 1371000 -16.1097 49.1177 -24.5762 47.4965 29.5805 -6.78611 -29.972 -5.02083 5.96003 TIMING: 1371000 CPU: 4281.42, 0.00313311/step Wall: 4281.42, 0.00313311/step, 3.15835 hours remaining, 236.304688 MB of memory in use. ENERGY: 1371000 3950.1113 20570.7675 14415.0582 235.0331 -203394.7204 2732.1063 0.0000 0.0000 51669.9773 -109821.6667 296.9481 -161491.6440 -109476.7201 298.2964 -95.1123 -59.5025 762558.0073 6.4166 6.4770 PRESSURE: 1371200 647.424 66.3781 125.033 66.3785 -279.981 -221.842 125.033 -221.844 92.2972 GPRESSURE: 1371200 611.656 166.049 120.748 -0.0163365 -249.876 -239.891 137.356 -159.483 199.782 PRESSAVG: 1371200 28.5466 26.9318 -28.0111 26.9317 -50.7041 -37.0379 -28.0112 -37.0379 16.0621 GPRESSAVG: 1371200 27.3912 28.2871 -28.4321 28.6137 -50.4051 -37.2406 -26.4379 -35.2284 16.3683 TIMING: 1371200 CPU: 4282.04, 0.00313168/step Wall: 4282.04, 0.00313168/step, 3.15674 hours remaining, 236.304688 MB of memory in use. ENERGY: 1371200 4003.5013 20421.5113 14472.0960 239.4149 -203559.7664 2930.6165 0.0000 0.0000 51713.6052 -109779.0211 297.1988 -161492.6263 -109424.1281 297.3769 153.2468 187.1873 760677.2049 -2.0318 -2.2152 PRESSURE: 1371400 171.7 -12.9227 -233.758 -12.9225 -188.834 -63.1328 -233.758 -63.134 -390.29 GPRESSURE: 1371400 121.798 -6.93403 -170.622 -7.98441 -107.963 -51.1591 -186.22 -0.570913 -332.082 PRESSAVG: 1371400 0.83336 21.3526 31.7328 21.3526 20.6928 -24.0215 31.7327 -24.0215 25.2656 GPRESSAVG: 1371400 1.2309 21.0258 31.7678 19.8806 21.095 -24.4101 31.3893 -24.7943 25.0573 TIMING: 1371400 CPU: 4282.67, 0.00312228/step Wall: 4282.67, 0.00312228/step, 3.14708 hours remaining, 236.304688 MB of memory in use. ENERGY: 1371400 4007.2133 20473.0432 14430.0137 236.3538 -203220.7365 2672.8381 0.0000 0.0000 51843.7288 -109557.5456 297.9466 -161401.2744 -109191.0089 298.2605 -135.8080 -106.0825 763001.5470 15.5972 15.7944 PRESSURE: 1371600 231.635 33.0475 6.61663 33.0468 -157.745 -160.38 6.61554 -160.379 164.527 GPRESSURE: 1371600 197.173 46.0684 113.873 -53.0594 -82.5468 -84.2046 84.2407 -154.905 212.825 PRESSAVG: 1371600 -39.2177 8.73384 -76.8415 8.73383 16.8171 6.65179 -76.8415 6.65178 -12.5125 GPRESSAVG: 1371600 -38.7602 7.6604 -75.4078 8.6749 16.3345 7.02967 -75.9697 5.14818 -12.3827 TIMING: 1371600 CPU: 4283.29, 0.00311276/step Wall: 4283.29, 0.00311276/step, 3.13732 hours remaining, 236.304688 MB of memory in use. ENERGY: 1371600 3975.3020 20631.0559 14458.9688 257.9943 -203257.2204 2613.0892 0.0000 0.0000 51636.0307 -109684.7795 296.7530 -161320.8102 -109325.9788 298.5540 79.4723 109.1505 763454.7786 -11.6377 -11.6028 PRESSURE: 1371800 -81.6883 20.4934 -244.199 20.4935 31.6467 -187.241 -244.198 -187.241 20.6877 GPRESSURE: 1371800 -60.7753 -14.7252 -293.034 27.599 69.2261 -268.945 -255.98 -194.193 50.7137 PRESSAVG: 1371800 26.8888 0.452235 -20.9025 0.452253 -33.5625 -7.13436 -20.9025 -7.13439 -16.4701 GPRESSAVG: 1371800 27.5793 -0.495478 -22.457 2.30043 -34.4334 -5.98195 -20.3911 -5.56806 -15.7892 TIMING: 1371800 CPU: 4283.91, 0.00312399/step Wall: 4283.91, 0.00312399/step, 3.14846 hours remaining, 236.304688 MB of memory in use. ENERGY: 1371800 3996.8989 20496.0731 14446.2358 252.7526 -203695.9571 2784.7177 0.0000 0.0000 51970.1933 -109749.0858 298.6734 -161719.2791 -109384.2179 298.1906 -9.7846 19.7215 761693.5134 -7.7146 -7.5477 PRESSURE: 1372000 -51.449 115.93 49.3673 115.93 -137.891 -11.1123 49.3687 -11.1119 -247.4 GPRESSURE: 1372000 17.0974 226.66 12.7565 67.007 -182.052 -35.7948 0.0572447 -14.7542 -197.629 PRESSAVG: 1372000 -29.9059 61.5969 -57.1881 61.597 2.05908 1.27601 -57.1882 1.27598 -9.80509 GPRESSAVG: 1372000 -29.2017 63.4191 -56.7465 60.9781 2.15726 0.638693 -59.0905 -0.0697561 -10.4538 TIMING: 1372000 CPU: 4284.54, 0.00312479/step Wall: 4284.54, 0.00312479/step, 3.1491 hours remaining, 236.304688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1372000 3961.3858 20591.3851 14468.7348 262.6912 -203350.5907 2701.2529 0.0000 0.0000 51714.9176 -109650.2233 297.2063 -161365.1409 -109291.9136 298.7990 -145.5801 -120.8609 761665.5255 -12.5506 -12.4994 PRESSURE: 1372200 128.305 42.0966 -99.2514 42.0968 151.265 -263.769 -99.251 -263.769 -349.529 GPRESSURE: 1372200 111.205 19.8977 -151.898 -120.914 192.701 -236.585 -35.0885 -97.877 -267.134 PRESSAVG: 1372200 -12.206 -6.79323 -10.3456 -6.79318 24.6546 -8.17978 -10.3455 -8.17975 -15.4053 GPRESSAVG: 1372200 -12.8043 -5.51912 -10.7422 -8.04354 24.4601 -6.42688 -7.79176 -7.73852 -14.5389 TIMING: 1372200 CPU: 4285.17, 0.00314093/step Wall: 4285.17, 0.00314093/step, 3.16518 hours remaining, 236.304688 MB of memory in use. ENERGY: 1372200 4078.2819 20501.8019 14466.7533 252.1745 -203994.4337 3126.4456 0.0000 0.0000 52044.3535 -109524.6231 299.0996 -161568.9766 -109155.6264 298.7324 -23.3194 12.2572 760893.1829 -0.9856 -0.9610 LDB: ============= START OF LOAD BALANCING ============== 4297.65 LDB: ============== END OF LOAD BALANCING =============== 4297.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4297.65 LDB: ============= START OF LOAD BALANCING ============== 4297.96 LDB: Largest compute 7052 load 0.029763 is 15.3% of average load 0.195034 LDB: Average compute 0.004404 is 2.3% of average load 0.195034 LDB: TIME 4297.97 LOAD: AVG 0.195034 MAX 0.212549 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.664 MB LDB: TIME 4297.97 LOAD: AVG 0.195034 MAX 0.212549 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.664 MB LDB: TIME 4297.97 LOAD: AVG 0.195034 MAX 0.212549 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.664 MB LDB: ============== END OF LOAD BALANCING =============== 4297.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4297.97 PRESSURE: 1372400 -58.9366 -5.88525 -60.3278 -5.88586 35.7566 184.129 -60.3283 184.13 150.703 GPRESSURE: 1372400 -5.6644 -118.811 39.9646 -80.6868 142.106 193.113 -100.328 161.674 55.3162 PRESSAVG: 1372400 -14.1311 -16.1868 -37.3391 -16.1868 -8.65932 -8.21538 -37.3391 -8.21548 10.9033 GPRESSAVG: 1372400 -15.1848 -17.6695 -36.6183 -14.9288 -7.69639 -7.7865 -38.4381 -9.33252 10.4277 TIMING: 1372400 CPU: 4285.81, 0.00319637/step Wall: 4285.81, 0.00319637/step, 3.22087 hours remaining, 234.511719 MB of memory in use. ENERGY: 1372400 3980.6113 20480.6491 14479.9692 222.1780 -203464.3831 2755.6275 0.0000 0.0000 51909.9882 -109635.3599 298.3274 -161545.3481 -109269.8732 298.3725 42.5077 63.9191 762875.6903 -3.9624 -4.1511 PRESSURE: 1372600 120.183 88.9004 6.92814 88.8994 -62.9376 -24.8941 6.92789 -24.894 -240.781 GPRESSURE: 1372600 212.643 116.856 -38.4425 -23.2825 -63.6904 44.8905 -17.798 -86.092 -249.279 PRESSAVG: 1372600 -1.71333 -4.48644 1.19624 -4.48646 -7.06336 41.6571 1.19631 41.6572 -0.00073573 GPRESSAVG: 1372600 0.118335 -4.88764 1.67139 -3.60797 -7.86161 40.1648 3.27055 40.7596 -1.15041 TIMING: 1372600 CPU: 4286.44, 0.00314902/step Wall: 4286.44, 0.00314902/step, 3.17299 hours remaining, 234.769531 MB of memory in use. ENERGY: 1372600 4049.0765 20457.7282 14405.3671 260.6301 -203639.9026 2786.1975 0.0000 0.0000 51979.1281 -109701.7751 298.7248 -161680.9032 -109347.9756 298.5802 -61.1784 -33.4423 762295.0806 -2.9258 -2.9646 PRESSURE: 1372800 9.89218 226.699 -136.082 226.699 -417.295 41.1302 -136.082 41.1304 -101.935 GPRESSURE: 1372800 70.8023 206.296 -37.3142 224.05 -314.829 39.0006 -144.561 36.6567 -163.167 PRESSAVG: 1372800 25.9334 55.7099 -16.3813 55.7099 -11.7292 21.4475 -16.3813 21.4475 9.69445 GPRESSAVG: 1372800 24.9416 58.1199 -17.8844 52.0873 -11.6583 21.5285 -17.6338 25.176 10.5097 TIMING: 1372800 CPU: 4287.07, 0.00315635/step Wall: 4287.07, 0.00315636/step, 3.1802 hours remaining, 234.769531 MB of memory in use. ENERGY: 1372800 3958.4491 20285.6767 14356.0323 252.6588 -202882.8470 2356.8235 0.0000 0.0000 52071.1613 -109602.0453 299.2537 -161673.2066 -109233.5183 298.2820 -169.7793 -135.7312 763279.9393 7.9662 7.9310 PRESSURE: 1373000 -130.586 43.3202 -208.068 43.3194 -49.5813 -56.0495 -208.068 -56.0504 65.9493 GPRESSURE: 1373000 -89.6218 69.2803 -190.13 145.781 -25.0908 8.53338 -160.459 -47.2925 74.2714 PRESSAVG: 1373000 73.5226 12.6669 -12.4729 12.6669 -43.9695 31.2267 -12.4729 31.2268 20.9461 GPRESSAVG: 1373000 73.1272 11.6532 -11.3699 13.8346 -42.7949 31.4271 -12.7433 29.3239 20.3461 TIMING: 1373000 CPU: 4287.7, 0.00314581/step Wall: 4287.7, 0.00314581/step, 3.1694 hours remaining, 234.769531 MB of memory in use. ENERGY: 1373000 3976.0446 20404.8523 14456.4756 253.0201 -203154.4401 2761.4055 0.0000 0.0000 51787.8303 -109514.8117 297.6254 -161302.6420 -109172.5328 298.8848 -38.0728 -13.4804 761718.8860 16.8331 16.8928 PRESSURE: 1373200 -35.7406 -175.962 -13.9706 -175.963 6.09751 119.061 -13.9702 119.062 -16.7562 GPRESSURE: 1373200 10.2262 -142.445 -21.9783 -204.13 85.6597 111.716 -39.2239 -6.53268 -49.693 PRESSAVG: 1373200 48.568 -39.844 9.36219 -39.8441 31.0683 15.3465 9.36227 15.3465 -9.65236 GPRESSAVG: 1373200 47.3822 -39.5787 10.4104 -39.514 31.1421 15.7067 9.98915 17.0027 -9.39191 TIMING: 1373200 CPU: 4288.32, 0.00312198/step Wall: 4288.32, 0.00312198/step, 3.14522 hours remaining, 234.769531 MB of memory in use. ENERGY: 1373200 4075.9120 20416.7631 14521.4847 276.6043 -203511.3776 2733.5156 0.0000 0.0000 52083.3283 -109403.7697 299.3236 -161487.0980 -109036.8700 298.8561 -15.4664 15.3977 760704.3028 23.3280 23.0441 PRESSURE: 1373400 -35.284 -79.189 92.1977 -79.1889 -50.0601 -157.909 92.1969 -157.911 -336.352 GPRESSURE: 1373400 33.8564 -164.184 112.796 -64.3668 -4.45211 -100.227 48.6421 -140.549 -357.135 PRESSAVG: 1373400 -6.61831 12.4013 -21.374 12.4013 0.570708 54.625 -21.3739 54.6251 2.65092 GPRESSAVG: 1373400 -5.64613 11.8895 -22.8581 12.5967 -0.37705 54.3251 -21.6919 53.571 3.09635 TIMING: 1373400 CPU: 4288.95, 0.00313186/step Wall: 4288.95, 0.00313186/step, 3.155 hours remaining, 234.769531 MB of memory in use. ENERGY: 1373400 4037.2255 20500.1692 14474.8221 228.2611 -203167.0738 2757.5916 0.0000 0.0000 51889.5274 -109279.4769 298.2098 -161169.0043 -108926.6366 299.4097 -140.5654 -109.2435 762255.2067 -1.1322 -0.9756 PRESSURE: 1373600 -285.155 -174.275 89.0438 -174.276 -346.257 47.4819 89.0436 47.4816 -272.757 GPRESSURE: 1373600 -218.474 -167.24 156.612 -214.856 -308.604 40.8228 69.6449 36.6809 -282.049 PRESSAVG: 1373600 53.9335 -13.6455 -56.437 -13.6455 -22.7544 26.6401 -56.4369 26.6402 15.396 GPRESSAVG: 1373600 54.1024 -13.8888 -55.3673 -12.5483 -23.1124 25.6228 -56.9662 26.5929 15.6969 TIMING: 1373600 CPU: 4289.57, 0.00313515/step Wall: 4289.57, 0.00313515/step, 3.15814 hours remaining, 234.769531 MB of memory in use. ENERGY: 1373600 4058.2006 20607.3763 14432.4599 218.5699 -203074.4902 2377.3538 0.0000 0.0000 52208.5530 -109171.9765 300.0433 -161380.5296 -108809.8964 299.0297 -301.3894 -269.7090 763557.7156 15.5250 15.5623 PRESSURE: 1373800 -3.22751 -180.62 -45.5391 -180.62 -293.058 -12.8684 -45.5387 -12.868 375.453 GPRESSURE: 1373800 -60.8145 -229.662 -44.6639 -87.4399 -129.431 -0.304195 -98.0123 116.412 319.633 PRESSAVG: 1373800 -6.1524 51.8643 14.9382 51.8643 -28.4405 -11.3686 14.9382 -11.3687 32.7768 GPRESSAVG: 1373800 -4.84989 53.3222 14.8734 51.639 -28.4369 -10.3292 14.1656 -12.7255 31.2428 TIMING: 1373800 CPU: 4290.2, 0.00311976/step Wall: 4290.2, 0.00311976/step, 3.14246 hours remaining, 234.769531 MB of memory in use. ENERGY: 1373800 3987.9097 20457.9483 14597.0040 245.9008 -203139.6800 2754.6916 0.0000 0.0000 51885.6062 -109210.6193 298.1873 -161096.2255 -108855.2184 299.0934 26.3891 43.1290 762156.4005 -0.6054 -0.6813 PRESSURE: 1374000 100.585 137.631 151.22 137.63 126.437 -101.487 151.22 -101.487 565.934 GPRESSURE: 1374000 96.978 207.475 184.791 183.154 233.352 93.8998 132.546 -128.36 532.874 PRESSAVG: 1374000 31.404 22.341 -11.9808 22.341 -28.6161 43.922 -11.9809 43.922 -9.0529 GPRESSAVG: 1374000 29.0599 19.5636 -12.2182 25.4772 -27.5075 44.1506 -11.1688 44.6612 -7.83768 TIMING: 1374000 CPU: 4290.82, 0.00312909/step Wall: 4290.82, 0.0031291/step, 3.15169 hours remaining, 234.769531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1374000 3878.2252 20459.9861 14426.4837 241.4259 -202866.9570 2557.4708 0.0000 0.0000 51850.7853 -109452.5800 297.9872 -161303.3653 -109079.2077 298.5412 264.3188 287.7347 763300.4575 -2.0883 -2.0951 PRESSURE: 1374200 -444.117 164.6 220.443 164.6 150.32 -30.0979 220.442 -30.0983 -300.283 GPRESSURE: 1374200 -305.088 134.108 250.223 72.0695 192.074 -60.4183 67.4298 190.812 -388.587 PRESSAVG: 1374200 47.2599 71.2829 46.602 71.2829 -44.4373 -22.3473 46.602 -22.3474 34.8 GPRESSAVG: 1374200 46.7749 74.0821 47.4368 66.9302 -44.202 -23.5637 46.7691 -21.5169 35.2314 TIMING: 1374200 CPU: 4291.45, 0.00311775/step Wall: 4291.45, 0.00311775/step, 3.14009 hours remaining, 234.769531 MB of memory in use. ENERGY: 1374200 4025.1270 20392.9855 14487.2873 271.7383 -203182.1438 2677.4169 0.0000 0.0000 51911.0798 -109416.5091 298.3337 -161327.5888 -109053.5354 298.4377 -198.0267 -167.2002 762322.9903 12.5408 12.6014 PRESSURE: 1374400 -214.067 79.7138 -171.714 79.7138 25.7551 -129.773 -171.714 -129.773 -146.735 GPRESSURE: 1374400 -158.033 18.7603 -226.695 -3.34941 84.5379 -222.963 -170.735 -61.4294 -151.909 PRESSAVG: 1374400 -34.6979 -3.92089 14.5438 -3.92094 29.2541 3.87271 14.5438 3.87274 -1.39662 GPRESSAVG: 1374400 -33.7918 -4.25315 13.3549 -2.73193 28.7738 3.04425 14.022 4.08968 -1.27689 TIMING: 1374400 CPU: 4292.07, 0.00311844/step Wall: 4292.07, 0.00311844/step, 3.14062 hours remaining, 234.769531 MB of memory in use. ENERGY: 1374400 4031.8432 20259.5067 14432.9106 268.9409 -203369.7533 2652.3276 0.0000 0.0000 51960.7094 -109763.5149 298.6189 -161724.2243 -109401.3659 298.5669 -111.6822 -75.1344 762539.5702 -2.2801 -2.0983 PRESSURE: 1374600 167.207 -45.6626 -168.233 -45.6627 -101.233 25.3102 -168.232 25.3094 -37.7086 GPRESSURE: 1374600 179.971 27.7999 -116.916 -18.4138 -109.128 -13.0408 19.1235 142.965 26.1601 PRESSAVG: 1374600 -2.0734 -26.6219 -22.7881 -26.6219 17.9471 44.8477 -22.7881 44.8477 2.09696 GPRESSAVG: 1374600 -0.265648 -28.812 -22.1911 -27.9428 16.7617 46.3251 -21.6308 44.4578 1.74173 TIMING: 1374600 CPU: 4292.7, 0.00311779/step Wall: 4292.7, 0.00311779/step, 3.13979 hours remaining, 234.769531 MB of memory in use. ENERGY: 1374600 3953.0504 20284.2421 14444.7957 261.6090 -203110.5971 2702.6255 0.0000 0.0000 51780.1138 -109684.1606 297.5810 -161464.2744 -109305.2336 298.0372 9.4215 32.3344 761993.0703 5.9902 6.0793 PRESSURE: 1374800 311.604 41.3046 43.8286 41.3051 -146.873 73.1886 43.8282 73.1886 -543.487 GPRESSURE: 1374800 253.432 130.974 67.7245 39.2415 -69.2839 135.412 -40.3853 19.9789 -454.139 PRESSAVG: 1374800 45.8906 -1.55418 -14.432 -1.55424 -25.8441 19.1046 -14.432 19.1045 -17.9535 GPRESSAVG: 1374800 44.6311 0.886091 -12.3632 0.753651 -24.6758 19.0379 -12.5938 19.2699 -18.342 TIMING: 1374800 CPU: 4293.32, 0.00311772/step Wall: 4293.32, 0.00311772/step, 3.13954 hours remaining, 234.769531 MB of memory in use. ENERGY: 1374800 4024.2416 20284.8099 14376.1964 228.9980 -203344.2596 2862.9660 0.0000 0.0000 52083.9150 -109483.1327 299.3270 -161567.0477 -109114.2884 298.1307 -126.2521 -89.9969 762114.8860 0.6977 0.5378 PRESSURE: 1375000 491.609 -195.017 55.6149 -195.017 58.1219 29.7057 55.6156 29.7054 152.452 GPRESSURE: 1375000 480.43 -250.441 34.9178 -155.008 123.308 16.9326 32.97 5.17998 184.578 PRESSAVG: 1375000 -21.2128 -55.3533 -42.48 -55.3533 -7.66925 -9.68255 -42.48 -9.68258 -6.53965 GPRESSAVG: 1375000 -21.5691 -57.4908 -43.3897 -57.8153 -7.04978 -10.4784 -46.4055 -10.2566 -6.11783 TIMING: 1375000 CPU: 4293.94, 0.00310398/step Wall: 4293.94, 0.00310398/step, 3.12553 hours remaining, 234.769531 MB of memory in use. ENERGY: 1375000 3976.4603 20540.6200 14438.1094 241.9578 -203720.2273 2792.1848 0.0000 0.0000 52188.5378 -109542.3571 299.9282 -161730.8950 -109179.6837 298.4019 234.0607 262.7720 761310.0115 -11.8072 -11.5789 PRESSURE: 1375200 69.8773 -74.0354 -58.3268 -74.0338 402.222 -150.537 -58.3263 -150.537 16.9954 GPRESSURE: 1375200 194.626 -111.549 -52.2472 -179.329 342.683 -252.178 87.0192 -85.0659 41.7021 PRESSAVG: 1375200 -10.887 -32.1777 -3.93896 -32.1778 4.19959 6.59367 -3.93893 6.59375 36.3908 GPRESSAVG: 1375200 -8.66628 -30.8431 -4.3475 -32.8811 2.77411 6.42174 -1.65421 8.74563 36 TIMING: 1375200 CPU: 4294.56, 0.00311737/step Wall: 4294.56, 0.00311737/step, 3.13884 hours remaining, 234.769531 MB of memory in use. ENERGY: 1375200 4002.4797 20529.1666 14460.7888 251.5907 -204075.8673 3321.4531 0.0000 0.0000 52002.1442 -109508.2443 298.8570 -161510.3885 -109152.8410 298.8843 163.0316 193.0038 762117.8120 9.9011 10.0359 PRESSURE: 1375400 174.472 -109.006 -114.498 -109.005 -331.434 -80.6102 -114.498 -80.6111 16.833 GPRESSURE: 1375400 130.242 -22.4489 -160.079 36.6192 -266.829 -72.5525 -42.6441 -55.802 64.9006 PRESSAVG: 1375400 29.7284 22.4619 -45.4611 22.462 -0.0519718 -21.4052 -45.461 -21.4053 16.1852 GPRESSAVG: 1375400 26.9766 23.5448 -45.9736 23.8238 1.04612 -20.1157 -46.424 -24.2135 17.4686 TIMING: 1375400 CPU: 4295.19, 0.00311019/step Wall: 4295.19, 0.00311019/step, 3.13145 hours remaining, 234.753906 MB of memory in use. ENERGY: 1375400 3986.2770 20513.9818 14484.5888 249.5408 -203975.1994 3117.7202 0.0000 0.0000 52014.1091 -109608.9817 298.9258 -161623.0908 -109247.5504 298.1946 -46.7095 -23.8955 761918.0866 15.2872 15.1638 PRESSURE: 1375600 -196.835 -43.147 83.6378 -43.1465 -486.441 181.059 83.6372 181.058 -72.6304 GPRESSURE: 1375600 -151.59 -26.0853 56.0043 -40.3506 -503.785 168.366 43.0657 221.471 -21.5364 PRESSAVG: 1375600 -19.6215 -1.60266 54.9713 -1.60263 19.2335 12.1136 54.9713 12.1137 -8.0894 GPRESSAVG: 1375600 -17.22 -0.936225 57.3492 -2.24781 16.5333 12.7609 54.5242 11.1036 -8.70906 TIMING: 1375600 CPU: 4295.81, 0.00313769/step Wall: 4295.81, 0.00313769/step, 3.15896 hours remaining, 234.753906 MB of memory in use. ENERGY: 1375600 3999.7053 20480.0006 14421.2895 243.8411 -203637.5555 2961.3628 0.0000 0.0000 52037.3274 -109494.0287 299.0592 -161531.3561 -109129.1001 298.3778 -251.9687 -225.6371 764010.6294 -2.8258 -3.1319 PRESSURE: 1375800 -82.9084 -188.904 -95.8355 -188.905 276.629 -171.389 -95.8354 -171.389 -291.975 GPRESSURE: 1375800 -17.7634 -134.521 -112.949 -191.679 263.066 -111.421 -120.692 -319.835 -252.996 PRESSAVG: 1375800 -25.0568 -13.8598 63.6227 -13.8598 52.051 31.4114 63.6227 31.4114 -0.951971 GPRESSAVG: 1375800 -27.3872 -16.9403 62.8384 -11.8479 54.4241 29.0427 63.2889 33.2957 -0.437963 TIMING: 1375800 CPU: 4296.44, 0.0031418/step Wall: 4296.44, 0.0031418/step, 3.16292 hours remaining, 234.753906 MB of memory in use. ENERGY: 1375800 4028.1313 20508.6453 14460.0908 245.9238 -203581.8557 2782.8042 0.0000 0.0000 51999.6999 -109556.5605 298.8430 -161556.2604 -109192.7571 298.5207 -32.7515 -2.5645 764481.0911 8.6807 8.8663 PRESSURE: 1376000 97.2014 136.525 43.3958 136.526 -9.89848 106.667 43.3966 106.667 19.9831 GPRESSURE: 1376000 185.504 95.3024 40.1024 66.3518 -36.1884 186.685 156.544 50.041 26.6142 PRESSAVG: 1376000 -35.7181 -45.3199 -10.0583 -45.3199 44.1752 28.1105 -10.0582 28.1105 27.0019 GPRESSAVG: 1376000 -34.8262 -45.382 -10.333 -46.2698 44.1467 29.1105 -9.60061 27.5792 26.3318 TIMING: 1376000 CPU: 4297.07, 0.0031506/step Wall: 4297.07, 0.0031506/step, 3.1716 hours remaining, 234.753906 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: 1376000 3984.3645 20526.4111 14486.6991 260.9501 -203665.9401 2753.7794 0.0000 0.0000 52141.6814 -109512.0545 299.6590 -161653.7359 -109146.8910 298.2060 35.7620 58.6434 764594.2993 11.8197 11.8841 PRESSURE: 1376200 -174.476 -117.615 99.4638 -117.616 88.8505 59.3848 99.4642 59.3854 -149.133 GPRESSURE: 1376200 -119.895 -175.668 86.4831 -90.3928 18.4989 102.768 137.264 34.5413 -35.1985 PRESSAVG: 1376200 4.59969 -17.3798 -17.7539 -17.3797 38.6867 28.664 -17.7539 28.664 -14.7137 GPRESSAVG: 1376200 5.10082 -16.0723 -17.3186 -17.2717 39.2901 28.012 -15.8926 29.5343 -15.9992 TIMING: 1376200 CPU: 4297.7, 0.00313678/step Wall: 4297.7, 0.00313678/step, 3.15752 hours remaining, 234.753906 MB of memory in use. ENERGY: 1376200 3964.9273 20493.6212 14511.4805 244.2612 -203376.6798 2742.6925 0.0000 0.0000 52147.7932 -109271.9039 299.6941 -161419.6971 -108909.0024 298.7313 -78.2527 -45.5316 764738.3895 9.5242 9.4639 LDB: ============= START OF LOAD BALANCING ============== 4310.18 LDB: ============== END OF LOAD BALANCING =============== 4310.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4310.18 LDB: ============= START OF LOAD BALANCING ============== 4310.49 LDB: Largest compute 7052 load 0.029250 is 15.0% of average load 0.195114 LDB: Average compute 0.004377 is 2.2% of average load 0.195114 LDB: TIME 4310.5 LOAD: AVG 0.195114 MAX 0.214229 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.168 MB LDB: TIME 4310.5 LOAD: AVG 0.195114 MAX 0.214229 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.367 MB LDB: TIME 4310.5 LOAD: AVG 0.195114 MAX 0.214229 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.367 MB LDB: ============== END OF LOAD BALANCING =============== 4310.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4310.5 PRESSURE: 1376400 132.018 120.482 239.505 120.483 -34.1934 -60.8626 239.505 -60.8629 -72.0446 GPRESSURE: 1376400 47.0095 229.607 205.15 37.0502 16.3966 -101.494 168.59 -49.1501 50.3182 PRESSAVG: 1376400 2.57002 45.9566 -32.274 45.9567 -11.9251 34.3073 -32.274 34.3073 1.29067 GPRESSAVG: 1376400 0.293203 46.6501 -30.9496 44.6508 -12.8234 35.836 -35.2107 32.5597 4.36208 TIMING: 1376400 CPU: 4298.34, 0.00319975/step Wall: 4298.34, 0.00319975/step, 3.22073 hours remaining, 234.941406 MB of memory in use. ENERGY: 1376400 4025.8554 20602.2720 14428.6328 256.3972 -203369.9222 2697.6012 0.0000 0.0000 52005.2181 -109353.9455 298.8747 -161359.1636 -108992.7690 299.3991 8.5933 37.9081 761600.4513 -2.6881 -2.7227 PRESSURE: 1376600 -14.1608 -22.6335 -59.0093 -22.6342 123.353 171.704 -59.0094 171.706 355.804 GPRESSURE: 1376600 56.7528 -62.4089 -114.689 -2.36698 189.099 193.466 55.4448 191.421 314.244 PRESSAVG: 1376600 69.1811 -42.193 -0.628866 -42.1929 -26.9849 58.435 -0.628798 58.435 -0.534794 GPRESSAVG: 1376600 69.9645 -43.0912 -2.73922 -42.1206 -26.553 57.6686 -0.352715 57.6788 -1.65747 TIMING: 1376600 CPU: 4298.97, 0.00313538/step Wall: 4298.97, 0.00313538/step, 3.15576 hours remaining, 234.941406 MB of memory in use. ENERGY: 1376600 3995.6120 20484.0855 14482.8750 255.2094 -203675.3877 3117.6509 0.0000 0.0000 52080.9560 -109258.9989 299.3100 -161339.9549 -108903.3202 299.4720 154.9987 186.6985 762287.9108 13.8871 13.9180 PRESSURE: 1376800 61.9188 -149.355 -76.7881 -149.355 -84.538 -18.2852 -76.7887 -18.285 104.008 GPRESSURE: 1376800 50.0996 -162.859 -46.8909 -185.367 -25.8462 -17.7956 -44.3858 106.202 145.165 PRESSAVG: 1376800 49.3233 -3.70053 25.9196 -3.70049 -0.705534 77.5544 25.9196 77.5545 -4.11777 GPRESSAVG: 1376800 50.3838 -5.00404 26.2207 -2.6939 -0.490406 77.561 26.1714 80.3103 -5.71942 TIMING: 1376800 CPU: 4299.59, 0.00313858/step Wall: 4299.59, 0.00313858/step, 3.15881 hours remaining, 234.941406 MB of memory in use. ENERGY: 1376800 3984.2115 20502.7376 14511.1283 256.9375 -203233.7740 2694.3053 0.0000 0.0000 52203.5741 -109080.8795 300.0147 -161284.4537 -108716.3775 299.5492 27.1295 56.4730 762741.8176 14.8333 14.7247 PRESSURE: 1377000 -75.7173 -8.32989 100.587 -8.32937 -112.563 198.521 100.587 198.52 -147.193 GPRESSURE: 1377000 15.1257 38.6039 144.569 -31.7859 -74.1881 218.341 167.172 129.626 -204.907 PRESSAVG: 1377000 1.16528 29.4012 8.26708 29.4012 -6.9245 -18.3165 8.26708 -18.3165 11.7795 GPRESSAVG: 1377000 0.38185 31.4643 8.54695 28.0759 -7.26385 -18.4339 9.01135 -19.0008 12.3673 TIMING: 1377000 CPU: 4300.22, 0.0031375/step Wall: 4300.22, 0.0031375/step, 3.15755 hours remaining, 234.941406 MB of memory in use. ENERGY: 1377000 4022.4640 20380.8840 14516.2350 254.5954 -203117.6827 2609.4422 0.0000 0.0000 52333.0742 -109000.9879 300.7589 -161334.0621 -108639.5322 299.7434 -111.8245 -87.9897 762724.1450 2.0068 1.8284 PRESSURE: 1377200 -463.804 243.844 -120.612 243.844 -306.966 -115.841 -120.611 -115.841 -450.747 GPRESSURE: 1377200 -447.211 137.871 -10.4364 214.457 -267.534 -196.514 -177.641 -175.056 -429.151 PRESSAVG: 1377200 42.155 10.2206 11.2196 10.2206 -6.31929 15.8232 11.2196 15.8232 -1.71738 GPRESSAVG: 1377200 42.4548 9.97312 11.9149 10.6205 -6.50136 15.4175 12.0521 14.1269 -1.82191 TIMING: 1377200 CPU: 4300.85, 0.00313317/step Wall: 4300.85, 0.00313317/step, 3.15302 hours remaining, 234.941406 MB of memory in use. ENERGY: 1377200 3979.4690 20503.6041 14563.2042 243.3204 -203253.9384 2660.9671 0.0000 0.0000 52115.3836 -109187.9900 299.5078 -161303.3736 -108831.0682 299.6170 -407.1725 -381.2984 763234.7205 11.3728 11.3772 PRESSURE: 1377400 -245.181 301.43 -184.224 301.43 -244.764 -82.3283 -184.223 -82.3291 -251.822 GPRESSURE: 1377400 -257.314 200.465 -169.338 272.297 -188.412 -127.958 -213.24 -113.52 -204.58 PRESSAVG: 1377400 0.696205 23.4948 -26.5156 23.4948 32.1136 -47.4853 -26.5156 -47.4852 10.8415 GPRESSAVG: 1377400 0.812017 24.4721 -27.5736 24.0119 32.3498 -47.0891 -27.1595 -45.0949 11.0336 TIMING: 1377400 CPU: 4301.47, 0.0031366/step Wall: 4301.47, 0.0031366/step, 3.15629 hours remaining, 234.941406 MB of memory in use. ENERGY: 1377400 4002.5705 20452.9187 14476.0717 261.2253 -202913.1856 2426.5906 0.0000 0.0000 52073.1840 -109220.6249 299.2653 -161293.8089 -108845.2647 299.1051 -247.2554 -216.7685 764895.0180 14.5504 14.7318 PRESSURE: 1377600 -46.9251 -40.5172 46.6714 -40.5169 251.304 -208.32 46.671 -208.32 111.941 GPRESSURE: 1377600 -41.2805 -130.314 -16.9744 -2.87807 290.78 -167.195 34.4462 -158.183 137.827 PRESSAVG: 1377600 -28.3617 76.6181 -32.3775 76.6181 11.0266 -33.4594 -32.3775 -33.4595 8.81077 GPRESSAVG: 1377600 -28.5376 73.5752 -31.7603 77.5405 10.5304 -32.643 -32.3784 -35.5147 9.30008 TIMING: 1377600 CPU: 4302.1, 0.00314938/step Wall: 4302.1, 0.00314938/step, 3.16898 hours remaining, 234.941406 MB of memory in use. ENERGY: 1377600 3954.7051 20502.6810 14483.7791 233.9001 -203302.3897 2691.7434 0.0000 0.0000 52043.1948 -109392.3863 299.0930 -161435.5811 -109030.2769 298.5486 105.4400 129.1088 762346.5018 -2.8415 -2.9024 PRESSURE: 1377800 211.367 -73.6696 3.95149 -73.6696 92.0917 -266.249 3.95107 -266.249 442.655 GPRESSURE: 1377800 186.229 -88.881 -99.9602 -3.32561 199.065 -247.027 -42.6794 -203.385 449.715 PRESSAVG: 1377800 -30.3545 32.3166 -56.2531 32.3166 29.8376 -66.6973 -56.2532 -66.6973 -4.89184 GPRESSAVG: 1377800 -31.0326 35.8983 -56.7909 29.9037 30.3262 -67.5603 -56.7046 -64.216 -5.10597 TIMING: 1377800 CPU: 4302.73, 0.00314286/step Wall: 4302.73, 0.00314286/step, 3.16224 hours remaining, 234.941406 MB of memory in use. ENERGY: 1377800 3964.5587 20574.1343 14485.2801 244.6496 -203892.4454 3108.6053 0.0000 0.0000 52215.0312 -109300.1863 300.0805 -161515.2174 -108929.1390 298.6755 248.7046 278.3361 762022.4968 -1.8029 -1.9375 PRESSURE: 1378000 -167.971 136.03 111.281 136.031 -223.525 -61.8915 111.281 -61.8913 42.2889 GPRESSURE: 1378000 -121.672 83.8292 114.339 87.2032 -207.806 27.5147 74.1758 -87.3549 45.5458 PRESSAVG: 1378000 -10.2631 -12.414 -20.253 -12.4141 33.969 -7.46994 -20.253 -7.46997 -10.8363 GPRESSAVG: 1378000 -9.84936 -14.7607 -19.4857 -10.2944 33.2608 -6.32127 -20.869 -9.15784 -11.1589 TIMING: 1378000 CPU: 4303.36, 0.00313672/step Wall: 4303.36, 0.00313672/step, 3.15589 hours remaining, 234.941406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1378000 4006.7768 20388.0666 14446.5182 247.0933 -202960.2286 2649.3276 0.0000 0.0000 51698.9437 -109523.5024 297.1145 -161222.4461 -109161.5922 298.7007 -116.4023 -94.6441 762869.4821 4.2899 4.0842 PRESSURE: 1378200 -36.5133 134.398 -81.6258 134.398 121.312 75.0603 -81.625 75.0612 -141.032 GPRESSURE: 1378200 -37.3128 159.168 -76.7814 48.0198 203.971 7.40085 -57.9409 164.516 -130.695 PRESSAVG: 1378200 -21.7094 -10.5056 29.5598 -10.5056 49.5472 -29.8072 29.5597 -29.8072 -16.074 GPRESSAVG: 1378200 -21.0771 -8.35989 29.0707 -13.4033 48.5301 -30.9092 30.5313 -29.1269 -15.3866 TIMING: 1378200 CPU: 4303.99, 0.00314212/step Wall: 4303.99, 0.00314212/step, 3.16115 hours remaining, 234.941406 MB of memory in use. ENERGY: 1378200 4001.0352 20609.7017 14399.8141 233.3536 -203288.6343 2592.9851 0.0000 0.0000 51953.3836 -109498.3610 298.5768 -161451.7445 -109141.2248 298.3927 -18.7445 11.9877 761901.6648 3.9213 4.0221 PRESSURE: 1378400 178.828 -191.783 -16.3621 -191.783 502.357 152.649 -16.3616 152.649 269.322 GPRESSURE: 1378400 232.111 -200.16 21.9566 -215.389 431.629 117.659 -58.7607 200.443 357.049 PRESSAVG: 1378400 21.204 -43.0175 -44.2585 -43.0175 15.7868 -14.2948 -44.2585 -14.2948 -18.7432 GPRESSAVG: 1378400 19.3116 -45.1228 -43.099 -41.0329 17.5769 -14.8729 -43.4342 -13.9965 -18.6629 TIMING: 1378400 CPU: 4304.62, 0.00313432/step Wall: 4304.62, 0.00313432/step, 3.15313 hours remaining, 234.941406 MB of memory in use. ENERGY: 1378400 3944.4509 20494.3647 14448.2844 238.9806 -203295.1836 2783.0175 0.0000 0.0000 51981.0677 -109405.0178 298.7359 -161386.0855 -109035.4274 298.1539 316.8355 340.2629 761449.6035 6.0825 6.0752 PRESSURE: 1378600 -69.4288 206.49 84.2625 206.49 -110.121 -123.632 84.2623 -123.631 -154.389 GPRESSURE: 1378600 -66.0017 20.754 140.702 171.192 -55.4443 -118.657 97.8982 -69.5931 -140.893 PRESSAVG: 1378600 -54.8259 -37.467 -40.1093 -37.467 30.9586 34.7673 -40.1093 34.7673 -11.2319 GPRESSAVG: 1378600 -55.0174 -35.8141 -40.2013 -37.9417 30.5296 35.6442 -41.7073 33.0981 -10.7672 TIMING: 1378600 CPU: 4305.24, 0.00313853/step Wall: 4305.24, 0.00313853/step, 3.15718 hours remaining, 234.941406 MB of memory in use. ENERGY: 1378600 4049.8770 20565.5123 14420.8595 234.7377 -202873.3419 2330.2189 0.0000 0.0000 52040.5859 -109231.5506 299.0780 -161272.1365 -108875.5948 298.5344 -111.3131 -87.4463 762276.3995 -11.6997 -11.7517 PRESSURE: 1378800 44.5627 -153.735 -56.3546 -153.735 -379.347 129.324 -56.3556 129.325 -4.77817 GPRESSURE: 1378800 93.7184 -178.126 -60.7093 -196.454 -327.438 58.2698 -47.9039 51.2799 -2.8448 PRESSAVG: 1378800 -77.3344 -7.92952 -14.9349 -7.92954 27.5478 -21.9377 -14.9349 -21.9376 -4.42384 GPRESSAVG: 1378800 -76.912 -11.4382 -15.3716 -8.45354 28.4367 -22.2635 -13.7195 -21.7678 -5.79754 TIMING: 1378800 CPU: 4305.87, 0.00313427/step Wall: 4305.87, 0.00313427/step, 3.15273 hours remaining, 234.941406 MB of memory in use. ENERGY: 1378800 3966.3587 20449.1930 14493.2463 250.0011 -203089.1184 2497.6415 0.0000 0.0000 52210.3242 -109222.3537 300.0535 -161432.6779 -108868.8500 298.9784 -113.1875 -78.8549 760607.5321 -18.0702 -18.0910 PRESSURE: 1379000 -237.165 204.564 155.608 204.563 -151.993 -136.934 155.608 -136.934 281.333 GPRESSURE: 1379000 -196.255 129.862 114.868 331.552 -147.138 -91.567 210.727 -76.1845 319.667 PRESSAVG: 1379000 -11.249 -32.0682 20.3715 -32.0681 30.9281 7.35406 20.3715 7.35403 -15.0522 GPRESSAVG: 1379000 -12.0683 -28.2899 19.3569 -31.7193 30.2609 8.4007 21.6155 6.67225 -13.9014 TIMING: 1379000 CPU: 4306.5, 0.00315231/step Wall: 4306.5, 0.00315231/step, 3.1707 hours remaining, 234.941406 MB of memory in use. ENERGY: 1379000 3970.3138 20441.7966 14472.0670 244.4196 -202751.7241 2379.1710 0.0000 0.0000 51863.1661 -109380.7901 298.0583 -161243.9561 -109014.1374 299.2466 -35.9415 -7.9085 760457.4068 1.5423 1.4304 PRESSURE: 1379200 -141.82 7.3086 135.237 7.30912 -201.569 42.2641 135.236 42.2644 123.875 GPRESSURE: 1379200 -73.3615 73.6298 217.862 -106.095 -222.794 133.925 173.871 28.1947 175.538 PRESSAVG: 1379200 -0.299969 -22.6257 31.9993 -22.6257 -0.406431 -40.45 31.9993 -40.45 17.4482 GPRESSAVG: 1379200 2.83448 -24.4318 33.8262 -23.5092 -1.30673 -40.8759 29.102 -39.5447 15.9988 TIMING: 1379200 CPU: 4307.13, 0.00315715/step Wall: 4307.13, 0.00315715/step, 3.17539 hours remaining, 234.941406 MB of memory in use. ENERGY: 1379200 3996.4075 20471.5864 14475.5419 240.6673 -203290.0459 2728.8383 0.0000 0.0000 52065.2655 -109311.7391 299.2198 -161377.0046 -108940.0395 298.6409 -73.1715 -40.2057 760355.3338 5.5806 5.8422 PRESSURE: 1379400 236.627 48.8315 130.942 48.8317 76.9307 -39.4144 130.942 -39.416 -27.1516 GPRESSURE: 1379400 274.579 56.3963 148.187 13.799 186.537 -77.4839 25.3093 -19.5014 -71.8569 PRESSAVG: 1379400 48.9376 -31.193 -13.3203 -31.193 -75.2058 71.203 -13.3203 71.203 -5.36344 GPRESSAVG: 1379400 47.7235 -30.7292 -15.6798 -28.8604 -73.8642 69.8676 -12.1199 71.5484 -5.02887 TIMING: 1379400 CPU: 4307.76, 0.00313814/step Wall: 4307.76, 0.00313815/step, 3.1561 hours remaining, 234.941406 MB of memory in use. ENERGY: 1379400 4045.5833 20445.5816 14536.6712 232.2710 -203367.6940 2827.6394 0.0000 0.0000 52159.8361 -109120.1114 299.7633 -161279.9475 -108758.0205 299.2087 95.4687 129.7530 762234.2785 -10.5439 -10.3899 PRESSURE: 1379600 -222.726 -10.5362 -272.383 -10.5362 107.451 -49.3356 -272.383 -49.3354 -27.5745 GPRESSURE: 1379600 -151.598 52.4482 -194.181 146.384 175.115 -29.2768 -306.324 -32.2441 -91.7642 PRESSAVG: 1379600 20.2622 6.03561 -24.39 6.0356 -23.9627 5.46724 -24.39 5.46719 24.6435 GPRESSAVG: 1379600 20.8721 6.5212 -23.2703 4.73377 -24.2715 6.49922 -23.3499 5.95895 24.6727 TIMING: 1379600 CPU: 4308.39, 0.00316279/step Wall: 4308.39, 0.00316279/step, 3.18072 hours remaining, 234.941406 MB of memory in use. ENERGY: 1379600 4128.9049 20434.0480 14475.5843 252.9703 -203141.3369 2616.6941 0.0000 0.0000 52034.1494 -109198.9859 299.0410 -161233.1353 -108848.3323 299.3279 -47.6163 -22.7491 761464.2556 6.9810 7.0911 PRESSURE: 1379800 -106.178 88.0822 -42.28 88.0824 -238.665 -23.7892 -42.2797 -23.7901 -14.265 GPRESSURE: 1379800 -51.9429 35.6836 38.0795 -34.0155 -241.361 48.4246 -33.6632 -7.5164 16.6001 PRESSAVG: 1379800 -6.54424 20.4593 12.5183 20.4592 15.5323 55.3577 12.5183 55.3578 -3.05606 GPRESSAVG: 1379800 -6.78252 21.2847 12.0162 19.5574 15.78 55.2445 12.4556 53.7553 -2.81629 TIMING: 1379800 CPU: 4309.02, 0.00315121/step Wall: 4309.02, 0.00315121/step, 3.16889 hours remaining, 234.941406 MB of memory in use. ENERGY: 1379800 4026.3060 20391.2055 14451.5432 233.3491 -203270.9918 2692.0377 0.0000 0.0000 52329.7559 -109146.7944 300.7398 -161476.5503 -108770.4583 299.2762 -119.7027 -92.2347 762972.0627 1.9773 2.0604 PRESSURE: 1380000 23.8638 -104.38 84.6383 -104.379 33.2073 -93.2942 84.6392 -93.2952 -283.965 GPRESSURE: 1380000 -3.61745 -63.6796 78.1516 -216.708 127.573 -104.831 62.0693 38.3856 -269.682 PRESSAVG: 1380000 87.5617 -27.2454 29.1232 -27.2453 -126.999 4.58528 29.1233 4.5852 17.5481 GPRESSAVG: 1380000 87.4363 -27.6085 31.0778 -26.8341 -126.788 3.40256 28.0197 7.67453 17.5631 TIMING: 1380000 CPU: 4309.65, 0.00314653/step Wall: 4309.65, 0.00314653/step, 3.16401 hours remaining, 234.941406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1380000 4105.2574 20652.7813 14549.3082 261.7253 -203796.8536 2992.4260 0.0000 0.0000 52164.1360 -109071.2194 299.7880 -161235.3554 -108721.2694 299.5553 -75.6312 -48.5754 760909.8222 -7.2966 -7.2630 PRESSURE: 1380200 53.0485 -13.6641 172.549 -13.6649 79.5111 -16.4964 172.549 -16.4963 -41.6547 GPRESSURE: 1380200 22.5644 13.2422 160.108 -100.52 174.317 -99.7828 222.397 -20.901 -16.8086 PRESSAVG: 1380200 17.3044 -45.1972 -5.48101 -45.1972 -35.0471 11.0598 -5.48099 11.0598 -1.20637 GPRESSAVG: 1380200 16.5458 -45.0201 -6.86369 -44.8833 -34.2371 11.7043 -3.24426 9.42625 -1.23913 TIMING: 1380200 CPU: 4310.28, 0.00312237/step Wall: 4310.28, 0.00312237/step, 3.13954 hours remaining, 234.941406 MB of memory in use. ENERGY: 1380200 3969.7008 20489.6799 14514.9790 237.2634 -203628.2928 3137.3164 0.0000 0.0000 52061.0457 -109218.3076 299.1955 -161279.3533 -108854.3748 299.3848 30.3016 60.0242 763015.2014 -6.3164 -6.3102 LDB: ============= START OF LOAD BALANCING ============== 4322.75 LDB: ============== END OF LOAD BALANCING =============== 4322.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4322.76 LDB: ============= START OF LOAD BALANCING ============== 4323.07 LDB: Largest compute 6983 load 0.030430 is 15.6% of average load 0.195152 LDB: Average compute 0.004379 is 2.2% of average load 0.195152 LDB: TIME 4323.07 LOAD: AVG 0.195152 MAX 0.214715 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.555 MB LDB: TIME 4323.07 LOAD: AVG 0.195152 MAX 0.214715 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.57 MB LDB: TIME 4323.07 LOAD: AVG 0.195152 MAX 0.214715 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.57 MB LDB: ============== END OF LOAD BALANCING =============== 4323.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4323.08 PRESSURE: 1380400 490.486 -185.377 -5.37051 -185.377 494.237 -32.325 -5.37168 -32.3257 431.408 GPRESSURE: 1380400 469.062 -139.448 -34.9114 -150.975 540.793 -92.819 114.32 -35.3212 485.256 PRESSAVG: 1380400 30.4146 -11.4524 -13.8443 -11.4524 3.95222 9.1025 -13.8443 9.10247 -14.8699 GPRESSAVG: 1380400 31.1304 -11.672 -13.0896 -11.6719 2.88151 8.07403 -16.7194 9.27271 -14.6469 TIMING: 1380400 CPU: 4310.91, 0.00318978/step Wall: 4310.91, 0.00318978/step, 3.20714 hours remaining, 234.238281 MB of memory in use. ENERGY: 1380400 3952.3932 20597.7499 14453.7577 237.6788 -203388.5733 2970.7760 0.0000 0.0000 52051.1585 -109125.0592 299.1387 -161176.2177 -108765.3341 299.1823 472.0439 498.3701 760464.8740 6.4990 6.4550 PRESSURE: 1380600 176.181 185.552 -192.823 185.551 -21.4321 -155.656 -192.824 -155.656 202.159 GPRESSURE: 1380600 132.771 121.699 -201.469 105.908 78.0546 -148.966 -58.7609 -94.8291 223.551 PRESSAVG: 1380600 32.1274 5.84547 -11.9024 5.84547 0.923787 -14.7243 -11.9024 -14.7243 -2.04763 GPRESSAVG: 1380600 31.0115 4.71577 -11.5345 6.56744 1.37872 -13.5064 -9.41796 -15.9606 -1.61365 TIMING: 1380600 CPU: 4311.54, 0.00313133/step Wall: 4311.54, 0.00313133/step, 3.1482 hours remaining, 234.238281 MB of memory in use. ENERGY: 1380600 3884.8393 20504.1798 14497.1139 264.6263 -203597.5615 2929.7944 0.0000 0.0000 52340.7293 -109176.2784 300.8029 -161517.0078 -108806.7343 299.6960 118.9692 144.7920 762500.8579 10.3345 10.2589 PRESSURE: 1380800 330.518 -81.4601 -69.0206 -81.4605 -61.9307 -80.8717 -69.0202 -80.871 -231.314 GPRESSURE: 1380800 318.387 -166.58 -34.8712 -74.3436 -28.8132 -104.669 -81.7909 -98.4805 -174.084 PRESSAVG: 1380800 46.953 -28.9212 10.807 -28.9212 -47.076 -41.1729 10.8069 -41.1728 11.3545 GPRESSAVG: 1380800 46.7772 -29.7796 9.30202 -26.9885 -45.2885 -41.0225 9.85555 -42.0186 10.1174 TIMING: 1380800 CPU: 4312.17, 0.00314205/step Wall: 4312.17, 0.00314205/step, 3.15881 hours remaining, 234.238281 MB of memory in use. ENERGY: 1380800 4033.2514 20660.7351 14415.2630 256.7066 -203350.1843 2852.7329 0.0000 0.0000 51840.1097 -109291.3857 297.9258 -161131.4954 -108926.5325 299.1735 12.4245 38.4964 762237.5862 3.7438 3.8687 PRESSURE: 1381000 132.456 132.267 -85.1661 132.267 162.618 -46.9609 -85.1666 -46.9612 218.473 GPRESSURE: 1381000 186.353 169.568 -40.9 9.1611 167.59 97.1422 -36.2533 75.4244 238.233 PRESSAVG: 1381000 14.27 23.0675 -14.687 23.0676 -4.76386 -43.0284 -14.687 -43.0283 -7.11411 GPRESSAVG: 1381000 14.3887 24.5191 -14.3769 22.2913 -5.65493 -43.0719 -14.2597 -40.3622 -6.5963 TIMING: 1381000 CPU: 4312.8, 0.00316793/step Wall: 4312.8, 0.00316793/step, 3.18465 hours remaining, 234.238281 MB of memory in use. ENERGY: 1381000 3892.9772 20533.6258 14517.9605 270.9254 -203460.8472 3038.6048 0.0000 0.0000 52039.5416 -109167.2118 299.0720 -161206.7534 -108798.0472 299.3199 171.1823 197.3922 761162.8488 0.7973 0.7125 PRESSURE: 1381200 -263.753 -6.524 -3.07514 -6.52298 -156.852 171.748 -3.0753 171.748 82.1637 GPRESSURE: 1381200 -203.382 -102.821 -3.09799 -10.0446 -91.8378 141.982 151.432 120.425 36.6177 PRESSAVG: 1381200 -3.52578 -11.3193 -10.1577 -11.3192 44.1368 4.91078 -10.1577 4.91081 -18.6292 GPRESSAVG: 1381200 -4.32014 -13.4701 -10.532 -11.3741 44.4609 4.19544 -9.81053 3.01325 -18.0212 TIMING: 1381200 CPU: 4313.43, 0.00316084/step Wall: 4313.43, 0.00316084/step, 3.17734 hours remaining, 234.238281 MB of memory in use. ENERGY: 1381200 4021.1986 20559.7627 14475.5594 254.9062 -203046.7417 2659.1356 0.0000 0.0000 51885.4350 -109190.7441 298.1863 -161076.1792 -108827.0506 299.3201 -112.8141 -86.2006 764366.8013 7.3273 7.3732 PRESSURE: 1381400 -12.2813 -47.9014 57.8025 -47.9016 -32.1475 156.056 57.8029 156.056 59.9685 GPRESSURE: 1381400 26.2665 -129.523 -5.58879 -89.9906 34.7715 155.958 23.0443 44.4856 47.9904 PRESSAVG: 1381400 -50.8118 -9.31313 -32.2135 -9.31315 51.9985 -16.5086 -32.2135 -16.5085 2.59121 GPRESSAVG: 1381400 -50.6105 -6.31696 -32.6206 -9.10402 51.4843 -17.3838 -33.3186 -16.4616 2.83646 TIMING: 1381400 CPU: 4314.06, 0.00312972/step Wall: 4314.06, 0.00312972/step, 3.14589 hours remaining, 234.238281 MB of memory in use. ENERGY: 1381400 3939.4213 20686.2936 14409.3068 256.2556 -203200.8821 2525.5970 0.0000 0.0000 52156.4277 -109227.5802 299.7437 -161384.0079 -108860.8097 298.8128 5.1799 36.3428 763157.5271 1.2593 1.2368 PRESSURE: 1381600 -40.6413 220.006 85.2113 220.006 142.712 -115.96 85.2118 -115.96 216.443 GPRESSURE: 1381600 71.154 258.411 82.4038 172.717 163.739 -159.547 -76.7981 -78.9761 176.84 PRESSAVG: 1381600 -4.29814 13.8391 -91.2195 13.8391 -13.9548 -28.3195 -91.2195 -28.3196 10.0201 GPRESSAVG: 1381600 -4.32894 12.4556 -91.0197 14.8856 -11.8128 -28.1171 -91.2143 -27.3196 7.94463 TIMING: 1381600 CPU: 4314.69, 0.00313357/step Wall: 4314.69, 0.00313357/step, 3.14959 hours remaining, 234.238281 MB of memory in use. ENERGY: 1381600 3945.0769 20775.3998 14473.1207 272.8560 -203227.7603 2791.3676 0.0000 0.0000 51987.9448 -108981.9945 298.7754 -160969.9393 -108616.2782 299.1892 106.1714 137.2443 761515.9658 -2.7443 -2.7324 PRESSURE: 1381800 20.0701 -163.633 -177.388 -163.633 185.012 108.433 -177.388 108.433 396.517 GPRESSURE: 1381800 64.0353 -181.85 -190.868 -106.218 186.567 136.837 -231.772 131.709 417.447 PRESSAVG: 1381800 -33.729 -7.10227 25.7693 -7.10228 16.8637 12.0694 25.7693 12.0694 -0.345873 GPRESSAVG: 1381800 -34.1951 -7.43209 27.8152 -8.20149 16.1251 13.6461 24.0189 12.0068 1.05909 TIMING: 1381800 CPU: 4315.31, 0.00313202/step Wall: 4315.31, 0.00313202/step, 3.14785 hours remaining, 234.238281 MB of memory in use. ENERGY: 1381800 3967.5531 20449.4816 14538.5027 237.7857 -203043.7834 2777.9944 0.0000 0.0000 52057.5875 -109014.8785 299.1757 -161072.4660 -108644.9177 299.0711 200.5331 222.6832 762835.0808 -5.7370 -5.6703 PRESSURE: 1382000 -75.6642 150.57 -59.6583 150.571 -440.452 222.769 -59.6575 222.77 -28.2445 GPRESSURE: 1382000 -28.1193 139.553 -79.4693 202.33 -369.475 139.09 35.0879 171.331 -62.186 PRESSAVG: 1382000 33.0728 9.65728 34.208 9.65726 -16.7808 -7.53391 34.208 -7.53387 33.4002 GPRESSAVG: 1382000 34.8818 8.91546 33.0648 9.90274 -17.5174 -10.0188 35.5385 -7.37024 32.637 TIMING: 1382000 CPU: 4315.94, 0.00313721/step Wall: 4315.94, 0.00313721/step, 3.1529 hours remaining, 234.238281 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: 1382000 4056.0471 20553.1111 14478.6026 237.1525 -203138.7279 2629.2791 0.0000 0.0000 52039.3326 -109145.2028 299.0708 -161184.5354 -108779.4923 299.1023 -181.4537 -153.2600 761666.2261 16.5641 16.6671 PRESSURE: 1382200 -377.073 -32.0867 -83.4389 -32.0864 12.3984 93.0455 -83.4395 93.0442 287.989 GPRESSURE: 1382200 -364.216 -59.7312 -70.3998 49.1263 27.3631 94.231 -45.1695 -84.5253 358.616 PRESSAVG: 1382200 7.35767 81.3053 -29.5771 81.3053 10.9842 -48.9448 -29.5771 -48.9448 -23.1303 GPRESSAVG: 1382200 6.78612 81.123 -29.0146 79.5274 11.1675 -47.2032 -27.8663 -51.0209 -22.4662 TIMING: 1382200 CPU: 4316.57, 0.00312838/step Wall: 4316.57, 0.00312838/step, 3.14385 hours remaining, 234.238281 MB of memory in use. ENERGY: 1382200 4058.2107 20611.1191 14474.9433 235.9696 -203281.9249 2863.7028 0.0000 0.0000 51810.7481 -109227.2314 297.7571 -161037.9794 -108881.9396 299.0655 -25.5618 7.2547 762131.1824 -1.5961 -1.5042 PRESSURE: 1382400 547.944 105.178 -86.9111 105.178 330.635 249.137 -86.9109 249.137 63.7288 GPRESSURE: 1382400 614.024 19.2574 -27.3612 110.064 388.973 250.027 -111.847 220.181 29.5555 PRESSAVG: 1382400 -3.39311 63.2563 -15.8625 63.2563 18.6691 3.6983 -15.8625 3.69828 14.6331 GPRESSAVG: 1382400 -3.91019 62.9026 -16.697 66.076 19.2857 3.80095 -17.7082 4.97829 14.5405 TIMING: 1382400 CPU: 4317.19, 0.00312774/step Wall: 4317.19, 0.00312774/step, 3.14304 hours remaining, 234.238281 MB of memory in use. ENERGY: 1382400 4020.0492 20631.9806 14497.2167 229.7797 -203950.7957 3191.6820 0.0000 0.0000 52280.9199 -109099.1677 300.4592 -161380.0876 -108727.4890 299.3367 314.1027 344.1842 761606.0515 9.9697 9.9720 PRESSURE: 1382600 81.1223 179.952 -134.262 179.952 -139.224 77.3152 -134.262 77.315 44.2731 GPRESSURE: 1382600 8.64084 136.693 0.754078 238.187 14.1737 -24.4788 -191.568 74.4976 47.1952 PRESSAVG: 1382600 14.0726 42 3.33426 42 -25.3517 19.2056 3.33426 19.2056 -17.7339 GPRESSAVG: 1382600 14.8262 41.71 3.24324 41.74 -26.3783 19.4878 3.27553 18.5966 -17.0169 TIMING: 1382600 CPU: 4317.82, 0.00312764/step Wall: 4317.82, 0.00312764/step, 3.14276 hours remaining, 234.238281 MB of memory in use. ENERGY: 1382600 4008.3286 20550.7984 14476.3101 258.4968 -203266.0886 2768.6426 0.0000 0.0000 52237.0586 -108966.4534 300.2071 -161203.5120 -108598.9247 299.5400 -4.6095 23.3366 764169.1400 -9.6710 -9.5230 PRESSURE: 1382800 67.2989 -74.3741 -22.1928 -74.3752 356.386 -17.9785 -22.1921 -17.9772 89.0787 GPRESSURE: 1382800 104.808 32.3782 -53.1789 -122.223 378.785 16.9346 -117.691 -106.119 98.1133 PRESSAVG: 1382800 -8.37761 1.9222 -63.2482 1.92225 1.78431 47.8803 -63.2482 47.8804 -5.90673 GPRESSAVG: 1382800 -8.57046 6.27479 -63.6241 -0.926349 1.62003 47.4842 -62.6528 49.508 -6.09805 TIMING: 1382800 CPU: 4318.44, 0.0031283/step Wall: 4318.44, 0.0031283/step, 3.14324 hours remaining, 234.238281 MB of memory in use. ENERGY: 1382800 4036.8654 20557.5792 14517.2264 252.2112 -203463.8035 2807.9081 0.0000 0.0000 52236.5424 -109055.4708 300.2041 -161292.0132 -108687.4280 299.6667 170.9211 193.9020 762330.3059 -4.1667 -4.3495 PRESSURE: 1383000 65.5252 -63.7641 -294.263 -63.7641 49.3113 110.301 -294.263 110.299 192.1 GPRESSURE: 1383000 51.7031 -120.357 -325.437 7.47578 135.805 164.946 -157.893 51.1028 204.383 PRESSAVG: 1383000 -34.4656 40.7284 -19.6822 40.7284 19.9426 -10.2477 -19.6822 -10.2477 14.9093 GPRESSAVG: 1383000 -35.2991 37.1836 -19.6684 42.5434 20.3233 -9.77337 -20.5672 -10.9913 14.783 TIMING: 1383000 CPU: 4319.07, 0.00313349/step Wall: 4319.07, 0.00313349/step, 3.14829 hours remaining, 234.238281 MB of memory in use. ENERGY: 1383000 4017.6175 20531.5953 14487.8202 224.3589 -203041.2623 2758.5588 0.0000 0.0000 52147.7984 -108873.5133 299.6941 -161021.3116 -108511.4414 299.1778 102.3122 130.6302 761881.7211 0.1288 -0.0643 PRESSURE: 1383200 -117.632 -65.9789 -171.117 -65.9783 94.2361 180.355 -171.117 180.355 13.6402 GPRESSURE: 1383200 -54.5357 -9.36192 -175.537 52.6177 105.909 155.674 -23.9974 142.699 30.2253 PRESSAVG: 1383200 -79.0585 27.496 -32.9548 27.496 13.974 -17.6831 -32.9549 -17.6831 -8.55091 GPRESSAVG: 1383200 -78.4184 29.6646 -33.5008 26.443 13.7993 -18.8036 -32.6671 -16.9384 -9.46774 TIMING: 1383200 CPU: 4319.7, 0.0031308/step Wall: 4319.7, 0.0031308/step, 3.14541 hours remaining, 234.238281 MB of memory in use. ENERGY: 1383200 4013.0214 20579.7082 14440.5101 262.3250 -202327.2979 2143.5690 0.0000 0.0000 51982.0264 -108906.1380 298.7414 -160888.1643 -108548.4344 299.6438 -3.2519 27.1994 761216.0226 -24.5451 -24.6956 PRESSURE: 1383400 -301.705 -69.4889 81.4498 -69.4889 -200.288 -96.9028 81.4489 -96.9029 96.4704 GPRESSURE: 1383400 -200.087 -33.4996 -54.3644 4.969 -266.514 -108.597 86.0799 -100.326 133.92 PRESSAVG: 1383400 -26.08 -1.79449 7.70257 -1.79444 7.50554 11.4686 7.70255 11.4687 -10.2246 GPRESSAVG: 1383400 -25.8773 -2.95983 7.58597 0.287597 6.25002 11.6628 8.5118 10.7603 -9.36372 TIMING: 1383400 CPU: 4320.32, 0.00313768/step Wall: 4320.32, 0.00313768/step, 3.15215 hours remaining, 234.238281 MB of memory in use. ENERGY: 1383400 3950.3954 20530.0722 14466.3839 250.7361 -202446.3682 2363.2763 0.0000 0.0000 51997.1208 -108888.3836 298.8282 -160885.5043 -108526.9488 299.5794 -135.1742 -110.8938 762792.8998 -9.5997 -9.6637 PRESSURE: 1383600 -338.333 -34.9779 198.06 -34.9788 86.0882 139.203 198.061 139.202 443.952 GPRESSURE: 1383600 -301.421 108.207 172.902 75.1906 140.677 58.1601 137.934 36.8618 438.372 PRESSAVG: 1383600 -20.5947 -44.3608 -60.2483 -44.3609 19.7518 -9.27936 -60.2483 -9.27929 25.9247 GPRESSAVG: 1383600 -20.4108 -44.4464 -60.1382 -46.0417 20.7976 -7.93191 -62.6371 -9.69803 25.1542 TIMING: 1383600 CPU: 4320.95, 0.00313217/step Wall: 4320.95, 0.00313217/step, 3.14644 hours remaining, 234.238281 MB of memory in use. ENERGY: 1383600 3974.1996 20570.2220 14475.2552 240.8159 -202984.3491 2760.6615 0.0000 0.0000 52186.5644 -108776.6306 299.9169 -160963.1950 -108413.9710 299.9147 63.9024 92.5429 761609.0992 8.3606 8.5137 PRESSURE: 1383800 26.648 7.11118 72.7096 7.11065 -83.8719 295.752 72.7096 295.751 -26.6267 GPRESSURE: 1383800 19.0182 -56.9005 155.538 -116.798 -64.1815 311.289 -0.306484 207.515 37.8815 PRESSAVG: 1383800 46.5571 -36.857 11.3101 -36.857 -21.8902 -11.0246 11.3101 -11.0246 -3.52118 GPRESSAVG: 1383800 45.7594 -36.1716 11.7636 -35.5658 -21.9019 -11.4407 12.4833 -9.73361 -3.12537 TIMING: 1383800 CPU: 4321.58, 0.00313517/step Wall: 4321.58, 0.00313517/step, 3.14928 hours remaining, 234.238281 MB of memory in use. ENERGY: 1383800 4076.1784 20388.4875 14482.3506 230.0362 -203004.2676 2609.6528 0.0000 0.0000 52198.4907 -109019.0714 299.9854 -161217.5622 -108654.0269 299.5649 -27.9502 -2.4273 763165.1513 7.0486 6.9107 PRESSURE: 1384000 94.2102 51.3229 142.205 51.323 -16.4112 -335.446 142.204 -335.447 -44.6871 GPRESSURE: 1384000 136.87 62.6773 78.4437 -88.1113 -76.7085 -183.477 38.8045 -291.128 32.8741 PRESSAVG: 1384000 21.4637 40.8409 13.1969 40.8409 -4.95454 -71.0512 13.1968 -71.0512 6.45711 GPRESSAVG: 1384000 22.7401 38.9316 12.9154 38.0731 -7.26627 -71.8186 11.635 -71.8608 6.91188 TIMING: 1384000 CPU: 4322.2, 0.00313609/step Wall: 4322.2, 0.00313609/step, 3.15003 hours remaining, 234.238281 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: 1384000 4051.9189 20410.7913 14515.4856 245.0585 -203239.7339 2639.0024 0.0000 0.0000 52318.1109 -109059.3664 300.6729 -161377.4773 -108691.3162 299.5104 11.0373 31.0119 761981.9361 7.6554 7.4619 PRESSURE: 1384200 163.564 229.772 42.1908 229.772 -152.696 137.559 42.1903 137.56 -328.932 GPRESSURE: 1384200 131.592 165.502 -5.40397 246.891 -42.5193 147.692 102.986 29.9065 -321.036 PRESSAVG: 1384200 -43.6876 -31.1031 -16.204 -31.1031 13.5145 3.10805 -16.204 3.10804 16.1495 GPRESSAVG: 1384200 -43.9639 -30.3084 -18.5495 -29.0015 13.4166 2.48079 -14.3203 3.169 16.6357 TIMING: 1384200 CPU: 4322.83, 0.00312359/step Wall: 4322.83, 0.00312359/step, 3.1373 hours remaining, 234.238281 MB of memory in use. ENERGY: 1384200 4035.1226 20366.8328 14496.9401 263.1165 -203048.3597 2808.8566 0.0000 0.0000 52026.5346 -109050.9566 298.9972 -161077.4912 -108687.4663 299.6680 -106.0215 -77.3211 763846.3149 -4.6745 -4.6372 LDB: ============= START OF LOAD BALANCING ============== 4335.31 LDB: ============== END OF LOAD BALANCING =============== 4335.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4335.31 LDB: ============= START OF LOAD BALANCING ============== 4335.62 LDB: Largest compute 7010 load 0.029340 is 15.0% of average load 0.195122 LDB: Average compute 0.004373 is 2.2% of average load 0.195122 LDB: TIME 4335.63 LOAD: AVG 0.195122 MAX 0.215694 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.836 MB LDB: TIME 4335.63 LOAD: AVG 0.195122 MAX 0.215694 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.836 MB LDB: TIME 4335.63 LOAD: AVG 0.195122 MAX 0.215694 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.836 MB LDB: ============== END OF LOAD BALANCING =============== 4335.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4335.64 PRESSURE: 1384400 -222.115 215.929 217.717 215.929 -8.18126 -55.7923 217.718 -55.7939 -45.2671 GPRESSURE: 1384400 -148.544 113.031 230.197 77.3776 -44.0129 21.4267 80.4645 -183.038 14.6414 PRESSAVG: 1384400 -15.0567 32.7612 23.8839 32.7612 -21.2994 19.9287 23.8839 19.9287 13.8095 GPRESSAVG: 1384400 -16.1144 31.7029 25.9985 32.0083 -19.4326 20.4824 22.6371 21.4438 12.5805 TIMING: 1384400 CPU: 4323.47, 0.00319969/step Wall: 4323.47, 0.00319969/step, 3.21356 hours remaining, 235.000000 MB of memory in use. ENERGY: 1384400 3945.0849 20372.6877 14420.8126 217.9069 -202947.6440 2777.1280 0.0000 0.0000 52235.0772 -108978.9467 300.1957 -161214.0239 -108601.9079 299.6517 -91.8546 -59.3053 764627.6708 -7.5156 -7.6555 PRESSURE: 1384600 -254.218 -67.3482 -25.6035 -67.3487 125.47 -11.355 -25.603 -11.3555 39.8744 GPRESSURE: 1384600 -199.512 -99.7983 -112.412 -53.6166 162.678 34.1763 36.9807 97.3148 51.2243 PRESSAVG: 1384600 -7.12369 41.5705 13.0827 41.5704 38.6382 56.8583 13.0828 56.8584 21.4583 GPRESSAVG: 1384600 -5.72802 41.1479 11.3271 42.5963 37.1374 56.4301 12.4462 56.5518 21.8319 TIMING: 1384600 CPU: 4324.1, 0.00313186/step Wall: 4324.1, 0.00313186/step, 3.14526 hours remaining, 235.000000 MB of memory in use. ENERGY: 1384600 3991.8775 20624.6797 14555.2082 245.1223 -203520.3130 3013.4118 0.0000 0.0000 52166.5729 -108923.4406 299.8020 -161090.0135 -108560.9807 299.8673 -29.6247 4.7969 762668.2462 17.6576 17.7471 PRESSURE: 1384800 -140.864 -328.251 -106.773 -328.252 6.44386 27.174 -106.773 27.1732 169.733 GPRESSURE: 1384800 -65.9028 -238.463 -80.2617 -255.103 58.349 88.2733 -47.6621 -6.97772 118.067 PRESSAVG: 1384800 26.2469 -63.5843 18.903 -63.5843 -27.7355 55.9953 18.903 55.9952 -23.1328 GPRESSAVG: 1384800 24.1562 -63.2005 20.7825 -62.6069 -27.1317 58.8319 20.0182 52.3544 -22.2794 TIMING: 1384800 CPU: 4324.72, 0.00314448/step Wall: 4324.72, 0.00314448/step, 3.15776 hours remaining, 235.000000 MB of memory in use. ENERGY: 1384800 4013.4544 20652.9849 14447.3902 254.6785 -203062.3547 2639.5559 0.0000 0.0000 51933.3125 -109120.9783 298.4615 -161054.2908 -108764.6344 299.1352 11.7710 36.8379 763827.0164 -8.2071 -8.4183 PRESSURE: 1385000 -85.3499 24.5441 65.4298 24.5436 -99.8392 -23.5372 65.4297 -23.5354 81.2893 GPRESSURE: 1385000 -38.4397 -71.1011 36.0118 12.2025 -138.871 -7.68092 51.4716 71.0754 162.465 PRESSAVG: 1385000 -34.9683 -31.1957 18.7697 -31.1957 2.50503 51.3062 18.7697 51.3062 4.90492 GPRESSAVG: 1385000 -34.0035 -30.1614 16.3104 -32.8938 1.48231 49.0015 19.4022 54.1415 5.64775 TIMING: 1385000 CPU: 4325.35, 0.00314393/step Wall: 4325.35, 0.00314393/step, 3.15703 hours remaining, 235.000000 MB of memory in use. ENERGY: 1385000 4051.3710 20429.6609 14522.6634 253.6218 -203254.5970 2627.7015 0.0000 0.0000 52096.5296 -109273.0489 299.3995 -161369.5785 -108899.0855 299.1739 -34.6333 -4.9487 762842.6777 -9.1861 -8.9578 PRESSURE: 1385200 -26.6301 -192.175 121.328 -192.176 -225.71 63.1281 121.329 63.1278 -13.919 GPRESSURE: 1385200 25.1189 -186.873 67.0095 -245.014 -202.226 33.1597 81.1969 -7.24432 8.82705 PRESSAVG: 1385200 43.5008 -22.7549 -3.64667 -22.7549 -13.7681 -2.74447 -3.64668 -2.74448 8.04739 GPRESSAVG: 1385200 44.3133 -21.3595 -2.09353 -23.5937 -12.9166 -2.09521 -4.43375 -3.52549 6.67303 TIMING: 1385200 CPU: 4325.98, 0.0031371/step Wall: 4325.98, 0.0031371/step, 3.14999 hours remaining, 235.000000 MB of memory in use. ENERGY: 1385200 4052.5239 20550.5587 14556.8697 242.0770 -203674.5378 2921.0534 0.0000 0.0000 52068.6704 -109282.7848 299.2394 -161351.4552 -108911.1909 299.3586 -88.7529 -56.0934 763692.1665 12.5934 12.6899 PRESSURE: 1385400 -444.911 140.572 90.5985 140.571 -142.04 221.799 90.5979 221.8 41.0776 GPRESSURE: 1385400 -461.702 66.3929 14.4795 222.295 -80.9748 303.123 -8.99837 229.07 80.2356 PRESSAVG: 1385400 -22.6353 27.5127 -24.8735 27.5128 0.702144 4.94276 -24.8734 4.9427 -8.02169 GPRESSAVG: 1385400 -23.5497 27.0442 -25.8763 28.85 1.15334 5.96715 -25.0687 3.5287 -8.05674 TIMING: 1385400 CPU: 4326.61, 0.00314105/step Wall: 4326.61, 0.00314105/step, 3.15379 hours remaining, 235.000000 MB of memory in use. ENERGY: 1385400 3968.9163 20544.9520 14525.8600 261.0035 -203095.6799 2480.5285 0.0000 0.0000 52010.5831 -109303.8365 298.9055 -161314.4196 -108942.0424 299.2592 -181.9579 -154.1471 763254.3823 -9.9850 -10.1510 PRESSURE: 1385600 300.234 -320.445 -184.808 -320.445 8.9457 8.24863 -184.808 8.25009 27.5929 GPRESSURE: 1385600 272.768 -228.672 -189.677 -301.725 21.6633 -80.9565 -151.943 231.117 125.744 PRESSAVG: 1385600 3.51269 -1.66919 -68.9133 -1.66916 45.8467 42.9311 -68.9132 42.931 22.5967 GPRESSAVG: 1385600 3.00393 -1.34432 -67.6466 -3.242 46.0997 41.5379 -71.3346 44.4456 22.3359 TIMING: 1385600 CPU: 4327.23, 0.00312795/step Wall: 4327.23, 0.00312795/step, 3.14046 hours remaining, 235.000000 MB of memory in use. ENERGY: 1385600 3974.5062 20635.7365 14463.2753 251.9200 -203165.9925 2670.8892 0.0000 0.0000 51926.1893 -109243.4760 298.4205 -161169.6652 -108891.5889 299.2010 112.2576 140.0583 763320.1405 23.9854 23.8132 PRESSURE: 1385800 -126.503 103.031 -17.7268 103.031 -82.0145 24.3656 -17.7277 24.3666 170.627 GPRESSURE: 1385800 -36.5167 139.097 -22.6533 59.8014 -70.0022 7.56434 -62.7008 -72.862 142.065 PRESSAVG: 1385800 -40.3268 -5.43217 -38.9293 -5.43221 11.8739 43.9941 -38.9293 43.9941 2.1197 GPRESSAVG: 1385800 -39.1183 -5.86069 -39.4315 -4.70831 10.6879 44.3055 -36.2715 44.1977 2.10097 TIMING: 1385800 CPU: 4327.87, 0.00316119/step Wall: 4327.87, 0.00316119/step, 3.17366 hours remaining, 235.000000 MB of memory in use. ENERGY: 1385800 3944.9469 20392.3328 14412.6566 254.5812 -203011.5391 2517.0901 0.0000 0.0000 52080.1974 -109409.7342 299.3056 -161489.9316 -109034.5848 298.3814 -12.6302 11.8487 762572.4102 -8.7777 -8.7765 PRESSURE: 1386000 -171.527 84.3221 45.0549 84.3217 -180.143 -157.797 45.055 -157.798 -399.297 GPRESSURE: 1386000 -193.037 93.1129 94.6661 132.504 -152.971 -96.109 57.9493 15.725 -331.226 PRESSAVG: 1386000 41.8821 -12.0701 -23.8389 -12.0701 3.43756 20.1414 -23.839 20.1415 13.1116 GPRESSAVG: 1386000 40.4022 -10.5528 -22.7383 -10.6544 5.06564 21.0379 -22.9964 19.4132 12.9627 TIMING: 1386000 CPU: 4328.5, 0.00314367/step Wall: 4328.5, 0.00314367/step, 3.1559 hours remaining, 235.000000 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: 1386000 3892.3365 20438.8239 14427.9130 263.9550 -202751.3287 2183.3237 0.0000 0.0000 52039.3196 -109505.6569 299.0707 -161544.9766 -109139.7996 298.4376 -250.3224 -225.7447 763502.1274 19.4771 19.4768 PRESSURE: 1386200 66.3303 14.6103 78.9489 14.6103 -576.179 -22.7137 78.9489 -22.7124 183.063 GPRESSURE: 1386200 85.75 70.0641 119.564 -128.658 -470.213 -43.3764 50.6398 28.6909 148.507 PRESSAVG: 1386200 4.75438 15.5145 -20.4191 15.5145 -68.603 18.8289 -20.4191 18.829 -16.8066 GPRESSAVG: 1386200 4.94476 14.4452 -22.2544 13.3339 -68.7617 17.634 -19.9687 19.4684 -16.3882 TIMING: 1386200 CPU: 4329.12, 0.00313205/step Wall: 4329.12, 0.00313205/step, 3.14405 hours remaining, 235.000000 MB of memory in use. ENERGY: 1386200 3983.1961 20522.7941 14450.2559 245.9320 -203183.1593 2952.8815 0.0000 0.0000 51740.5306 -109287.5691 297.3535 -161028.0997 -108937.1589 298.7618 -108.9287 -78.6519 764353.9074 -26.8851 -26.7351 PRESSURE: 1386400 -281.362 -158.073 -49.5984 -158.073 -66.6382 29.2587 -49.5977 29.2593 456.61 GPRESSURE: 1386400 -208.189 -228.158 -88.6243 -102.735 -68.5184 21.7738 -0.60773 -121.744 452.303 PRESSAVG: 1386400 -9.36932 -41.8842 36.8597 -41.8842 -10.4632 -26.5655 36.8597 -26.5655 -7.32561 GPRESSAVG: 1386400 -9.41824 -42.3941 37.1648 -40.0057 -11.0787 -25.6087 37.0607 -28.2628 -7.09899 TIMING: 1386400 CPU: 4329.75, 0.00313482/step Wall: 4329.75, 0.00313482/step, 3.14666 hours remaining, 235.000000 MB of memory in use. ENERGY: 1386400 3972.8418 20540.0026 14484.3804 232.8554 -203475.8989 2929.2287 0.0000 0.0000 51940.7732 -109375.8168 298.5043 -161316.5900 -109018.0862 298.5079 36.2032 58.5320 763859.1510 -9.0527 -9.1986 PRESSURE: 1386600 -48.0812 -160.252 -110.099 -160.253 175.647 38.2856 -110.099 38.2864 -360.801 GPRESSURE: 1386600 49.971 -37.071 -59.9133 -18.9924 48.3986 38.7196 -98.1032 79.429 -257.639 PRESSAVG: 1386600 -28.0694 6.77448 -5.24267 6.77441 81.3272 -37.1865 -5.24266 -37.1865 19.4026 GPRESSAVG: 1386600 -26.711 7.06172 -5.09076 6.73286 81.9883 -38.4925 -6.6973 -36.2328 18.0246 TIMING: 1386600 CPU: 4330.38, 0.00314287/step Wall: 4330.38, 0.00314287/step, 3.15457 hours remaining, 235.000000 MB of memory in use. ENERGY: 1386600 3987.7367 20507.1876 14462.9024 240.7729 -203438.0414 2811.3369 0.0000 0.0000 51955.5785 -109472.5264 298.5894 -161428.1048 -109104.0663 298.6066 -77.7449 -53.0897 763576.2270 24.2201 24.4340 PRESSURE: 1386800 -264.367 -80.0835 5.68259 -80.0842 -211.539 -196.673 5.68175 -196.673 3.01719 GPRESSURE: 1386800 -223.008 50.5178 100.006 -125.748 -126.01 -225.595 -78.4162 -111.104 -28.0283 PRESSAVG: 1386800 1.12953 -8.27094 -43.8399 -8.27094 3.56364 -46.0132 -43.8399 -46.0132 -0.171572 GPRESSAVG: 1386800 0.706298 -7.33647 -42.1011 -8.99885 3.10125 -44.71 -47.0076 -43.688 1.13792 TIMING: 1386800 CPU: 4331, 0.00312558/step Wall: 4331, 0.00312558/step, 3.13704 hours remaining, 235.000000 MB of memory in use. ENERGY: 1386800 3911.5450 20489.0765 14521.2547 262.0112 -203551.9529 2936.1585 0.0000 0.0000 52030.4420 -109401.4651 299.0197 -161431.9071 -109041.9579 298.4582 -157.6295 -125.6821 762419.1502 1.5072 1.6485 PRESSURE: 1387000 218.743 31.3108 -1.49765 31.3112 -95.7789 -171.809 -1.49773 -171.809 -115.552 GPRESSURE: 1387000 256.779 -74.7327 45.6851 8.90539 -50.4141 -180.374 -89.5903 -100.558 -120.174 PRESSAVG: 1387000 -7.51735 -38.9097 67.8557 -38.9097 -3.14654 -4.1922 67.8557 -4.1923 -5.8563 GPRESSAVG: 1387000 -5.74562 -40.1883 66.9265 -39.1992 -3.49948 -4.01947 70.1253 -7.45323 -7.78033 TIMING: 1387000 CPU: 4331.63, 0.00313141/step Wall: 4331.63, 0.00313141/step, 3.14272 hours remaining, 235.000000 MB of memory in use. ENERGY: 1387000 3970.5304 20566.7839 14401.8397 250.9861 -203500.3711 2916.2689 0.0000 0.0000 51967.1411 -109426.8210 298.6559 -161393.9621 -109071.9408 298.5726 2.4706 28.7301 762724.1755 -5.5067 -5.6751 PRESSURE: 1387200 -62.8517 -82.5732 -167.165 -82.5737 185.945 -97.1212 -167.165 -97.1212 -361.217 GPRESSURE: 1387200 3.85825 -48.4527 -94.1614 -107.973 204.939 -97.0539 -70.7104 12.8932 -351.49 PRESSAVG: 1387200 3.37992 59.5536 -6.99632 59.5537 -32.5341 -3.65904 -6.9963 -3.65912 -15.3951 GPRESSAVG: 1387200 1.56 60.1282 -6.56765 61.4529 -31.7685 -3.84581 -5.60566 -1.55164 -13.5536 TIMING: 1387200 CPU: 4332.26, 0.00314988/step Wall: 4332.26, 0.00314989/step, 3.16108 hours remaining, 235.000000 MB of memory in use. ENERGY: 1387200 4022.8928 20245.1676 14426.5026 245.8190 -203685.1330 3024.6658 0.0000 0.0000 52180.2579 -109539.8273 299.8807 -161720.0852 -109170.6741 298.1678 -79.3745 -47.5642 763725.1762 -14.8498 -14.5874 PRESSURE: 1387400 146.314 13.1302 -59.2445 13.1299 -75.069 -52.2111 -59.2451 -52.2105 287.494 GPRESSURE: 1387400 224.923 -2.70318 -25.7426 52.4168 -26.6998 82.1307 -179.01 -48.4307 236.852 PRESSAVG: 1387400 15.8988 -1.20606 -19.6439 -1.20608 18.1287 24.9296 -19.6439 24.9296 -4.35 GPRESSAVG: 1387400 17.0787 -1.95036 -19.1562 -1.89948 17.1852 25.0272 -19.9541 24.7309 -4.32549 TIMING: 1387400 CPU: 4332.89, 0.00314663/step Wall: 4332.89, 0.00314663/step, 3.15764 hours remaining, 235.000000 MB of memory in use. ENERGY: 1387400 3943.1415 20476.6606 14425.2560 235.1108 -203337.2465 2731.8103 0.0000 0.0000 51874.4471 -109650.8203 298.1232 -161525.2674 -109291.5587 298.4571 119.5799 145.0250 762369.0005 9.8925 9.9795 PRESSURE: 1387600 -281.018 167.193 61.121 167.194 -32.5417 145.705 61.1211 145.706 -184.633 GPRESSURE: 1387600 -281.8 101.847 56.9763 134.005 15.0922 188.41 -22.38 91.0796 -156.052 PRESSAVG: 1387600 -28.1615 41.0405 49.5396 41.0405 25.3811 85.1157 49.5397 85.1157 -1.04526 GPRESSAVG: 1387600 -28.0611 40.9312 48.9821 41.9952 25.7427 83.3348 50.3025 83.9383 -1.49492 TIMING: 1387600 CPU: 4333.52, 0.00315374/step Wall: 4333.52, 0.00315374/step, 3.16461 hours remaining, 235.000000 MB of memory in use. ENERGY: 1387600 4015.2294 20462.5698 14396.1744 259.4960 -203549.0634 2779.0178 0.0000 0.0000 52053.9462 -109582.6299 299.1547 -161636.5760 -109213.8581 298.0614 -166.0643 -140.9200 762956.0697 -1.2752 -1.2711 PRESSURE: 1387800 274.439 -132.413 155.464 -132.412 8.44324 -16.0242 155.463 -16.0242 399.959 GPRESSURE: 1387800 221.431 -130.465 113.985 -96.428 78.7412 -37.81 202.601 16.1003 457.734 PRESSAVG: 1387800 -23.3425 3.40659 -16.7345 3.4066 15.2526 -23.5042 -16.7345 -23.5042 -8.475 GPRESSAVG: 1387800 -25.1772 2.29366 -17.3465 1.22407 17.5074 -24.0496 -18.1292 -21.4854 -8.65799 TIMING: 1387800 CPU: 4334.15, 0.00314022/step Wall: 4334.15, 0.00314022/step, 3.15086 hours remaining, 235.000000 MB of memory in use. ENERGY: 1387800 3961.7469 20507.5820 14468.9170 230.7729 -203418.9172 2879.3970 0.0000 0.0000 51870.4435 -109500.0579 298.1002 -161370.5013 -109139.8039 298.7626 227.6136 252.6355 763550.9337 -5.5216 -5.4426 PRESSURE: 1388000 -5.5856 -140.008 -73.2169 -140.009 374.073 41.326 -73.2165 41.3277 -430.177 GPRESSURE: 1388000 82.6143 -108.679 -150.549 -78.4628 368.977 34.6898 -24.2993 20.8158 -441.32 PRESSAVG: 1388000 -9.38724 -50.8306 30.7156 -50.8307 -0.231103 -45.17 30.7156 -45.17 -5.16648 GPRESSAVG: 1388000 -8.2896 -50.1983 30.9973 -50.6402 -1.70458 -41.6357 28.1048 -46.6287 -4.57686 TIMING: 1388000 CPU: 4334.78, 0.00314139/step Wall: 4334.78, 0.00314139/step, 3.15187 hours remaining, 235.000000 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: 1388000 3937.2132 20608.3720 14447.3977 259.2217 -203628.9142 2924.8875 0.0000 0.0000 52069.1449 -109382.6773 299.2421 -161451.8222 -109031.6157 298.9608 -20.5632 3.4236 760929.7262 -4.9283 -4.8570 PRESSURE: 1388200 -321.437 -58.3834 -55.1242 -58.3823 -255.178 -170.712 -55.1233 -170.71 -58.3037 GPRESSURE: 1388200 -180.564 -202.067 -99.5641 -157.27 -360.574 -120.334 -148.167 -68.8326 -17.8479 PRESSAVG: 1388200 -1.8209 14.8718 8.72294 14.8718 27.0603 -33.8527 8.72296 -33.8528 0.265699 GPRESSAVG: 1388200 -1.97206 16.2242 9.36856 14.61 26.1269 -35.8405 9.46349 -34.3064 0.7548 TIMING: 1388200 CPU: 4335.4, 0.00314287/step Wall: 4335.4, 0.00314287/step, 3.15317 hours remaining, 235.000000 MB of memory in use. ENERGY: 1388200 4009.9234 20455.5549 14478.4902 259.4358 -202982.7515 2406.0770 0.0000 0.0000 51781.9236 -109591.3466 297.5914 -161373.2702 -109230.2788 298.5621 -211.6394 -186.3287 761879.9980 8.5017 8.3032 LDB: ============= START OF LOAD BALANCING ============== 4347.88 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4347.88 LDB: =============== DONE WITH MIGRATION ================ 4347.89 LDB: ============= START OF LOAD BALANCING ============== 4348.2 LDB: Largest compute 7052 load 0.030064 is 15.4% of average load 0.195142 LDB: Average compute 0.004363 is 2.2% of average load 0.195142 LDB: TIME 4348.2 LOAD: AVG 0.195142 MAX 0.216743 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.492 MB LDB: TIME 4348.21 LOAD: AVG 0.195142 MAX 0.216743 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.492 MB LDB: TIME 4348.21 LOAD: AVG 0.195142 MAX 0.216743 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.492 MB LDB: ============== END OF LOAD BALANCING =============== 4348.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4348.21 PRESSURE: 1388400 -210.456 -47.9733 55.7616 -47.9731 176.923 69.9593 55.7624 69.9589 -71.8819 GPRESSURE: 1388400 -13.6172 -99.8042 42.4328 -80.1322 75.6305 82.2763 74.6436 92.7512 -82.0421 PRESSAVG: 1388400 -25.0234 -0.988368 -22.4936 -0.988364 22.0777 -29.9779 -22.4936 -29.9778 -7.32264 GPRESSAVG: 1388400 -24.6811 -2.00673 -22.9096 0.400029 22.4471 -28.7259 -22.5937 -30.625 -8.12869 TIMING: 1388400 CPU: 4336.05, 0.00321261/step Wall: 4336.05, 0.00321261/step, 3.22296 hours remaining, 233.539062 MB of memory in use. ENERGY: 1388400 3997.8648 20604.6105 14500.2375 258.7573 -203619.8079 2844.2348 0.0000 0.0000 51921.6295 -109492.4734 298.3943 -161414.1029 -109136.5354 298.5284 -35.1385 -6.6763 760873.1570 -3.4228 -3.4542 PRESSURE: 1388600 27.286 54.801 -14.866 54.8012 63.9352 69.6955 -14.8661 69.6958 -12.2644 GPRESSURE: 1388600 45.1004 105.264 -43.1285 38.582 124.367 6.25638 36.3219 6.69975 2.0486 PRESSAVG: 1388600 -17.6579 -42.7392 -28.1494 -42.7391 -5.46113 -12.2396 -28.1494 -12.2395 24.5694 GPRESSAVG: 1388600 -18.31 -41.9983 -29.3504 -45.4735 -5.18421 -13.1546 -26.1418 -11.967 25.5208 TIMING: 1388600 CPU: 4336.68, 0.00315443/step Wall: 4336.68, 0.00315443/step, 3.16442 hours remaining, 233.539062 MB of memory in use. ENERGY: 1388600 3990.6304 20515.2662 14388.1534 260.0755 -203220.0759 2540.3225 0.0000 0.0000 51965.1403 -109560.4876 298.6444 -161525.6279 -109202.5592 298.2705 26.3189 57.1719 760663.6370 0.4835 0.6755 PRESSURE: 1388800 35.2611 -88.0236 182.639 -88.0233 -3.27093 20.1101 182.639 20.1096 269.47 GPRESSURE: 1388800 99.9547 0.514036 225.202 75.1729 55.9317 -3.62677 54.1224 -43.4035 229.045 PRESSAVG: 1388800 44.9943 25.9574 29.072 25.9573 -35.0983 -0.393108 29.0719 -0.392998 18.8097 GPRESSAVG: 1388800 44.7957 25.6712 30.2374 29.5992 -35.6458 -1.55417 28.2351 0.896503 19.4096 TIMING: 1388800 CPU: 4337.3, 0.00313455/step Wall: 4337.3, 0.00313455/step, 3.1443 hours remaining, 233.539062 MB of memory in use. ENERGY: 1388800 3945.9208 20446.8505 14392.9885 259.3649 -203156.5875 2502.3168 0.0000 0.0000 52064.0305 -109545.1153 299.2127 -161609.1459 -109177.6687 298.6039 100.4867 128.3104 761190.5705 9.5686 9.5198 PRESSURE: 1389000 -74.4573 -35.3464 237.129 -35.3473 -137.864 -176.208 237.129 -176.208 -620.417 GPRESSURE: 1389000 -106.851 -5.18257 165.142 -41.9468 -64.6575 -231.85 248.275 -116.122 -581.494 PRESSAVG: 1389000 2.2669 21.2867 25.2962 21.2866 54.5258 -9.29905 25.2961 -9.29899 8.12476 GPRESSAVG: 1389000 1.66687 20.7553 25.1344 18.1926 55.8351 -8.60775 26.3033 -11.783 7.13578 TIMING: 1389000 CPU: 4337.93, 0.00313827/step Wall: 4337.93, 0.00313827/step, 3.14786 hours remaining, 233.539062 MB of memory in use. ENERGY: 1389000 4019.8137 20469.1998 14455.4185 247.1054 -203477.2943 2621.4376 0.0000 0.0000 52005.1206 -109659.1987 298.8741 -161664.3193 -109288.0985 298.0879 -277.5796 -251.0009 761668.7460 21.6391 21.5459 PRESSURE: 1389200 109.649 77.8673 147.509 77.8674 354.038 -183.659 147.51 -183.66 277.888 GPRESSURE: 1389200 147.26 16.4193 113.973 8.12871 416.626 -179.264 216.776 -93.3033 256.437 PRESSAVG: 1389200 -24.2628 17.4192 1.74337 17.4192 5.92325 -45.2525 1.74335 -45.2526 -16.9542 GPRESSAVG: 1389200 -23.1052 17.9005 0.822405 16.6959 5.89406 -44.5836 4.60186 -44.7898 -17.45 TIMING: 1389200 CPU: 4338.56, 0.00314277/step Wall: 4338.56, 0.00314277/step, 3.1522 hours remaining, 233.539062 MB of memory in use. ENERGY: 1389200 3995.7576 20598.9286 14424.7655 251.0172 -203922.4804 3163.5993 0.0000 0.0000 51865.1307 -109623.2816 298.0696 -161488.4123 -109272.1619 298.3089 247.1916 273.4409 760992.3247 -11.7646 -11.5537 PRESSURE: 1389400 -239.7 -63.7045 134.59 -63.7046 -17.4696 -145.727 134.59 -145.727 -379.462 GPRESSURE: 1389400 -203.591 -9.88596 182.081 -12.1249 26.2821 -185.152 54.937 -122.429 -383.386 PRESSAVG: 1389400 2.68061 -20.4866 -21.0937 -20.4866 -8.50663 -34.9772 -21.0937 -34.9772 -5.84582 GPRESSAVG: 1389400 1.72206 -21.9266 -20.9079 -19.3276 -7.0444 -35.9337 -22.0064 -32.7555 -6.65053 TIMING: 1389400 CPU: 4339.19, 0.00315092/step Wall: 4339.19, 0.00315092/step, 3.16019 hours remaining, 233.539062 MB of memory in use. ENERGY: 1389400 3970.0111 20592.2349 14419.8121 218.3402 -202846.2963 2427.8498 0.0000 0.0000 51777.5819 -109440.4664 297.5665 -161218.0482 -109080.6580 298.3816 -212.2104 -186.8984 762463.8278 -3.8906 -3.9910 PRESSURE: 1389600 -289.319 211.22 -129.277 211.22 236.006 -82.6498 -129.276 -82.6499 3.34519 GPRESSURE: 1389600 -220.048 180.075 -97.6142 122.895 211.729 -50.5624 -101.401 -149.5 43.4681 PRESSAVG: 1389600 -16.9385 -7.54747 -33.7488 -7.54757 53.0958 -31.429 -33.7488 -31.4289 -9.32388 GPRESSAVG: 1389600 -17.0659 -7.67412 -33.1996 -7.34417 52.5998 -30.5498 -34.8244 -32.8957 -9.03411 TIMING: 1389600 CPU: 4339.82, 0.00316213/step Wall: 4339.82, 0.00316213/step, 3.17126 hours remaining, 233.539062 MB of memory in use. ENERGY: 1389600 4012.6778 20678.9608 14434.6367 254.7606 -202905.4927 2530.3484 0.0000 0.0000 51789.9039 -109204.2046 297.6373 -160994.1085 -108840.1217 299.0833 -16.6557 11.7166 762332.6429 8.9445 8.8333 PRESSURE: 1389800 32.9579 174.112 -28.8444 174.111 -184.483 130.497 -28.845 130.496 12.7677 GPRESSURE: 1389800 87.3575 160.732 -62.9258 97.7085 -101.091 6.00955 -122.519 117.775 -26.4301 PRESSAVG: 1389800 76.0523 78.0105 3.2196 78.0105 -60.6047 20.0695 3.2196 20.0694 -7.31484 GPRESSAVG: 1389800 76.8749 78.7107 3.89317 80.7956 -62.4504 20.0055 1.04308 19.417 -6.64166 TIMING: 1389800 CPU: 4340.45, 0.00313933/step Wall: 4340.45, 0.00313933/step, 3.14822 hours remaining, 233.539062 MB of memory in use. ENERGY: 1389800 4014.7046 20551.4569 14514.3116 234.0031 -203767.3324 3066.9654 0.0000 0.0000 52285.4964 -109100.3945 300.4855 -161385.8909 -108744.7385 299.2848 -46.2524 -13.3878 761231.2167 2.7109 2.5943 PRESSURE: 1390000 -160.404 185.372 -277.599 185.372 -32.4087 -112.648 -277.6 -112.647 -220.518 GPRESSURE: 1390000 -186.46 84.0552 -347.792 165.564 53.0146 -94.64 -247.337 -21.7392 -195.557 PRESSAVG: 1390000 -0.683607 37.3427 -4.80532 37.3427 27.336 12.9017 -4.80527 12.9017 -14.1512 GPRESSAVG: 1390000 -1.25098 38.2636 -6.52013 33.9033 28.0257 14.8096 -3.63526 13.7027 -15.4507 TIMING: 1390000 CPU: 4341.08, 0.00315269/step Wall: 4341.08, 0.00315269/step, 3.16144 hours remaining, 233.539062 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: 1390000 4035.1013 20538.4787 14458.7218 247.8932 -203072.6261 2558.8303 0.0000 0.0000 52179.7501 -109053.8507 299.8777 -161233.6008 -108701.8797 299.2529 -137.7771 -109.6673 760582.0567 4.1671 3.7747 PRESSURE: 1390200 173.006 -377.017 -133.498 -377.017 -70.397 222.08 -133.498 222.08 316.743 GPRESSURE: 1390200 153.807 -300.928 -80.3633 -323.322 1.39314 197.526 -102.633 167.56 340.073 PRESSAVG: 1390200 3.67748 58.3649 -60.3019 58.3649 -14.8212 -11.6145 -60.3019 -11.6145 11.126 GPRESSAVG: 1390200 3.20413 59.5792 -58.0498 59.2632 -15.5894 -14.2202 -60.2305 -10.5596 12.5691 TIMING: 1390200 CPU: 4341.71, 0.00314915/step Wall: 4341.71, 0.00314915/step, 3.15772 hours remaining, 233.539062 MB of memory in use. ENERGY: 1390200 4022.0249 20612.3671 14341.7425 228.4048 -203316.4644 2694.7711 0.0000 0.0000 52238.2941 -109178.8599 300.2142 -161417.1540 -108816.9095 299.6544 139.7838 165.0907 761607.1299 -0.0059 0.0613 PRESSURE: 1390400 94.3204 60.3048 -71.1931 60.3047 50.9185 -93.3269 -71.193 -93.3275 222.414 GPRESSURE: 1390400 85.0062 9.97564 -24.3983 67.7248 165.548 33.2868 -73.4367 -78.0056 209.827 PRESSAVG: 1390400 -26.9367 13.6957 -21.0274 13.6957 67.0468 15.3328 -21.0275 15.3328 1.49508 GPRESSAVG: 1390400 -27.255 12.5718 -23.0101 12.8571 68.1833 16.8108 -19.359 13.6816 0.732613 TIMING: 1390400 CPU: 4342.34, 0.00312461/step Wall: 4342.34, 0.00312461/step, 3.13294 hours remaining, 233.539062 MB of memory in use. ENERGY: 1390400 4015.8051 20440.2406 14382.2827 258.3748 -203641.5864 3030.2288 0.0000 0.0000 52225.2755 -109289.3790 300.1394 -161514.6545 -108925.3005 299.2609 122.5511 153.4607 762642.5398 13.8684 13.8870 PRESSURE: 1390600 237.379 -30.2773 77.0204 -30.2769 1.11461 140.613 77.0213 140.614 84.9187 GPRESSURE: 1390600 234.579 34.3931 54.4516 42.6737 53.8196 164.888 115.219 179.514 110.705 PRESSAVG: 1390600 -33.4894 31.3631 -5.9045 31.363 27.7331 24.1732 -5.90449 24.1732 5.23331 GPRESSAVG: 1390600 -33.4612 29.8285 -5.43378 31.1624 27.4265 23.413 -7.99711 25.4289 5.19387 TIMING: 1390600 CPU: 4342.96, 0.00313376/step Wall: 4342.96, 0.00313376/step, 3.14194 hours remaining, 233.539062 MB of memory in use. ENERGY: 1390600 3974.1748 20703.8534 14408.9612 242.8321 -203271.9331 2823.4938 0.0000 0.0000 52065.9621 -109052.6557 299.2238 -161118.6178 -108699.3484 299.2386 107.8041 133.0343 762404.9651 -0.1743 -0.2803 PRESSURE: 1390800 -300.438 50.5756 21.4679 50.5758 149.867 -122.866 21.4677 -122.866 158.208 GPRESSURE: 1390800 -181.934 -64.3061 11.053 36.1578 101.106 -146.379 250.788 18.0801 170.578 PRESSAVG: 1390800 -35.9096 47.2521 11.5165 47.252 45.5518 -15.763 11.5164 -15.7629 16.5165 GPRESSAVG: 1390800 -36.6639 48.1844 12.1079 48.4047 46.4216 -14.8742 12.5762 -15.5975 16.263 TIMING: 1390800 CPU: 4343.59, 0.00314038/step Wall: 4343.59, 0.00314038/step, 3.14841 hours remaining, 233.539062 MB of memory in use. ENERGY: 1390800 4017.3367 20505.2239 14389.5036 242.9104 -203200.3474 2708.7006 0.0000 0.0000 52052.8403 -109283.8321 299.1484 -161336.6724 -108919.0210 299.4974 2.5456 29.9164 763472.3340 8.7195 8.6736 PRESSURE: 1391000 -31.993 -7.75018 -141.536 -7.75117 207.339 -194.357 -141.537 -194.358 184.73 GPRESSURE: 1391000 17.8727 -9.53351 -38.7852 43.6989 272.98 -182.462 -241.957 -114.763 136.595 PRESSAVG: 1391000 -24.8035 -10.756 7.39066 -10.756 45.2059 -0.220213 7.39063 -0.22024 -10.7119 GPRESSAVG: 1391000 -23.5179 -11.5744 7.97746 -10.2265 43.5488 -1.96698 5.32012 0.233431 -10.978 TIMING: 1391000 CPU: 4344.22, 0.00316082/step Wall: 4344.22, 0.00316082/step, 3.16873 hours remaining, 233.539062 MB of memory in use. ENERGY: 1391000 3918.4345 20592.7407 14368.3591 252.6878 -203449.3510 3044.5941 0.0000 0.0000 51746.9168 -109525.6180 297.3902 -161272.5348 -109170.2050 299.0973 120.0254 142.4824 765023.7156 3.2301 3.0176 PRESSURE: 1391200 -98.4799 251.868 -93.6304 251.868 102.111 -5.80355 -93.6313 -5.8025 -114.45 GPRESSURE: 1391200 57.6749 200.633 -213.749 312.629 9.46826 -33.3643 -47.6894 -68.2915 -107.043 PRESSAVG: 1391200 100.553 23.1816 -29.5411 23.1816 -89.1201 -1.42845 -29.5411 -1.42838 20.4472 GPRESSAVG: 1391200 98.9701 24.3555 -29.9143 21.1518 -87.7747 -1.46919 -28.735 -1.18109 20.1262 TIMING: 1391200 CPU: 4344.85, 0.0031449/step Wall: 4344.85, 0.0031449/step, 3.15259 hours remaining, 233.539062 MB of memory in use. ENERGY: 1391200 3982.6325 20451.3130 14429.0505 243.3296 -203658.6556 3019.9935 0.0000 0.0000 52173.7994 -109358.5371 299.8435 -161532.3365 -108985.7580 298.6489 -36.9397 -13.2999 762427.0311 10.6266 10.4405 PRESSURE: 1391400 -307.169 -139.331 60.7086 -139.332 -104.359 52.0834 60.7073 52.0828 -35.7448 GPRESSURE: 1391400 -259.659 -219.14 86.915 -43.3001 -98.0155 147.443 129.603 0.158874 -21.2103 PRESSAVG: 1391400 28.2727 4.14024 -8.00711 4.14022 -66.7348 -17.6872 -8.00716 -17.6873 8.35047 GPRESSAVG: 1391400 29.7825 2.38653 -8.14543 4.32527 -68.2775 -15.5566 -7.79451 -20.1923 8.49752 TIMING: 1391400 CPU: 4345.48, 0.00315162/step Wall: 4345.48, 0.00315162/step, 3.15915 hours remaining, 233.539062 MB of memory in use. ENERGY: 1391400 3959.1267 20629.3848 14413.7220 247.9311 -203149.3046 2636.9071 0.0000 0.0000 52122.0205 -109140.2123 299.5460 -161262.2328 -108782.5495 299.3044 -149.0910 -126.2950 761398.9737 -10.0372 -9.9991 PRESSURE: 1391600 158.006 -201.84 40.8766 -201.84 197.675 114.627 40.877 114.627 -77.5521 GPRESSURE: 1391600 97.0158 -260.92 66.7762 22.0823 303.823 66.3154 34.5195 82.6122 -50.3245 PRESSAVG: 1391600 -32.399 -0.0641397 -15.017 -0.0642582 33.6356 23.8958 -15.017 23.8959 4.25782 GPRESSAVG: 1391600 -32.9782 1.05707 -14.9345 0.707494 32.8378 22.2313 -16.3911 24.5971 5.74785 TIMING: 1391600 CPU: 4346.11, 0.00314185/step Wall: 4346.11, 0.00314185/step, 3.14918 hours remaining, 233.539062 MB of memory in use. ENERGY: 1391600 3993.8716 20563.3835 14395.8511 234.9716 -203343.3238 2955.8817 0.0000 0.0000 52151.4099 -109047.9544 299.7149 -161199.3643 -108686.7130 299.3472 92.7096 116.8381 762666.8659 1.8315 1.8692 PRESSURE: 1391800 68.5924 145.756 -40.8444 145.756 -305.789 298.325 -40.8436 298.326 -124.247 GPRESSURE: 1391800 48.0045 186.525 -71.8221 70.8658 -211.008 168.244 -55.8254 320.627 -96.2121 PRESSAVG: 1391800 29.881 63.6533 -10.2296 63.6533 -2.88813 -28.643 -10.2297 -28.643 -6.36102 GPRESSAVG: 1391800 28.6827 63.8423 -11.2193 64.4696 -1.89932 -27.875 -10.1295 -27.7746 -6.38791 TIMING: 1391800 CPU: 4346.74, 0.00313269/step Wall: 4346.74, 0.00313269/step, 3.13983 hours remaining, 233.539062 MB of memory in use. ENERGY: 1391800 4017.9550 20453.2154 14428.3382 237.8724 -203138.3217 2861.9785 0.0000 0.0000 51943.0347 -109195.9275 298.5173 -161138.9622 -108837.2421 299.3528 -120.4813 -86.4052 764274.3904 6.8773 6.7985 PRESSURE: 1392000 -80.9067 -233.55 14.7166 -233.549 313.871 -179.389 14.717 -179.389 231.807 GPRESSURE: 1392000 -8.75695 -147.969 -58.2595 -228.311 366.479 -174.78 -36.0324 -211.751 186.354 PRESSAVG: 1392000 51.0502 8.97033 -47.73 8.97035 -22.4766 -36.1985 -47.7299 -36.1985 2.03183 GPRESSAVG: 1392000 51.967 8.81639 -46.8184 6.84595 -22.5488 -34.4404 -46.2922 -37.4863 1.52837 TIMING: 1392000 CPU: 4347.37, 0.00316958/step Wall: 4347.37, 0.00316958/step, 3.17663 hours remaining, 233.539062 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: 1392000 4071.1196 20507.7812 14396.9759 244.4283 -203639.2244 3235.4040 0.0000 0.0000 52186.3569 -108997.1586 299.9157 -161183.5155 -108640.3797 299.3744 154.9235 181.3587 760746.8246 10.2018 10.3155 PRESSURE: 1392200 -248.145 188.259 146.199 188.259 -242.546 -43.916 146.199 -43.9161 -589.515 GPRESSURE: 1392200 -157.597 192.732 30.3593 100.843 -245.854 6.94376 212.377 -33.392 -588.445 PRESSAVG: 1392200 22.0992 15.3959 36.3136 15.396 -23.9144 -46.5273 36.3136 -46.5273 -13.9768 GPRESSAVG: 1392200 22.9899 15.6511 36.6477 18.201 -24.8271 -49.4937 34.9273 -44.4713 -14.0232 TIMING: 1392200 CPU: 4348, 0.00314369/step Wall: 4348, 0.0031437/step, 3.15051 hours remaining, 233.539062 MB of memory in use. ENERGY: 1392200 4121.7737 20568.0205 14398.9373 224.8792 -203141.9909 2543.1798 0.0000 0.0000 52034.2910 -109250.9094 299.0418 -161285.2004 -108887.8513 299.1149 -360.0685 -330.6318 762579.5693 -5.2640 -5.2868 LDB: ============= START OF LOAD BALANCING ============== 4360.48 LDB: ============== END OF LOAD BALANCING =============== 4360.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4360.48 LDB: ============= START OF LOAD BALANCING ============== 4360.8 LDB: Largest compute 6983 load 0.028551 is 14.6% of average load 0.195159 LDB: Average compute 0.004378 is 2.2% of average load 0.195159 LDB: TIME 4360.8 LOAD: AVG 0.195159 MAX 0.214128 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.562 MB LDB: TIME 4360.8 LOAD: AVG 0.195159 MAX 0.214128 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.562 MB LDB: TIME 4360.8 LOAD: AVG 0.195159 MAX 0.214128 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.562 MB LDB: ============== END OF LOAD BALANCING =============== 4360.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4360.81 PRESSURE: 1392400 161.808 101.874 11.6975 101.875 58.8898 93.6328 11.6975 93.6328 -110.488 GPRESSURE: 1392400 178.455 82.9452 -14.1316 90.1984 141.306 104.081 -92.1239 58.6566 -143.545 PRESSAVG: 1392400 39.073 49.4784 50.1624 49.4783 -52.2135 -4.52446 50.1624 -4.5245 3.8424 GPRESSAVG: 1392400 37.8244 48.0326 49.9029 49.0023 -49.7062 -3.82875 50.664 -4.05425 2.78631 TIMING: 1392400 CPU: 4348.64, 0.00320828/step Wall: 4348.64, 0.00320828/step, 3.21505 hours remaining, 233.539062 MB of memory in use. ENERGY: 1392400 4055.2981 20602.7157 14412.7347 264.3850 -203899.1142 3068.6264 0.0000 0.0000 52324.9072 -109170.4472 300.7120 -161495.3543 -108806.3667 299.0872 36.7364 58.7387 763166.3969 -3.0994 -3.0318 PRESSURE: 1392600 -318.767 -166.961 -288.642 -166.96 -288.785 98.6359 -288.643 98.6358 2.24544 GPRESSURE: 1392600 -316.079 -68.1647 -317.659 -231.698 -201.299 72.6643 -352.276 -116.433 5.79051 PRESSAVG: 1392600 36.4561 36.7585 -36.5693 36.7585 -64.0585 -14.8561 -36.5693 -14.8561 -3.78279 GPRESSAVG: 1392600 37.4478 39.2464 -37.6195 35.4839 -66.0528 -15.1227 -37.1932 -17.6161 -2.56332 TIMING: 1392600 CPU: 4349.27, 0.00313064/step Wall: 4349.27, 0.00313064/step, 3.13708 hours remaining, 233.539062 MB of memory in use. ENERGY: 1392600 4069.0529 20506.5249 14417.7243 277.5466 -203546.3706 2719.1690 0.0000 0.0000 52492.7597 -109063.5931 301.6766 -161556.3528 -108708.0514 300.1703 -201.7689 -170.5291 762012.6712 -10.4617 -10.3894 PRESSURE: 1392800 -63.4415 -75.13 -164.345 -75.1292 -130.413 158.224 -164.346 158.223 -322.462 GPRESSURE: 1392800 -76.4045 -165.371 -24.134 -65.9623 -43.0566 126.948 -269.611 338.211 -302.478 PRESSAVG: 1392800 -46.3144 1.6339 -61.9679 1.6339 50.5648 -65.2753 -61.9679 -65.2753 6.59485 GPRESSAVG: 1392800 -45.7733 0.0352835 -60.1959 1.51644 50.5984 -65.5986 -62.2437 -65.0256 6.75496 TIMING: 1392800 CPU: 4349.89, 0.00312836/step Wall: 4349.89, 0.00312836/step, 3.13462 hours remaining, 233.539062 MB of memory in use. ENERGY: 1392800 3998.5876 20646.5659 14389.6563 252.7074 -202909.6155 2471.3989 0.0000 0.0000 52199.4568 -108951.2427 299.9910 -161150.6995 -108587.7324 299.8449 -172.1053 -140.6464 763043.0793 3.6151 3.8600 PRESSURE: 1393000 496.155 94.2945 30.7602 94.294 31.5429 -104.327 30.7604 -104.327 -119.26 GPRESSURE: 1393000 471.043 78.2093 25.5075 40.6719 104.368 -101.7 125.302 -159.606 -64.2235 PRESSAVG: 1393000 29.987 47.5274 16.8203 47.5274 4.09524 -1.64814 16.8203 -1.64821 -6.35911 GPRESSAVG: 1393000 29.3759 49.0826 16.3309 45.9531 5.47989 -1.97329 15.7212 -1.15338 -7.2397 TIMING: 1393000 CPU: 4350.52, 0.00314213/step Wall: 4350.52, 0.00314213/step, 3.14824 hours remaining, 233.539062 MB of memory in use. ENERGY: 1393000 3992.8222 20483.0440 14515.3859 268.1161 -203291.9090 2875.9434 0.0000 0.0000 52145.9953 -109010.6021 299.6838 -161156.5973 -108644.9087 299.8734 136.1458 170.3958 761892.8176 9.2410 9.2054 PRESSURE: 1393200 -20.09 -0.164735 242.504 -0.164532 -497.547 184.563 242.504 184.562 -531.038 GPRESSURE: 1393200 26.3655 3.70927 223.74 5.8669 -442.568 134.73 143.302 217.856 -553.589 PRESSAVG: 1393200 27.9426 14.435 32.9476 14.435 -55.6276 29.8175 32.9476 29.8175 7.35991 GPRESSAVG: 1393200 29.0857 14.0684 34.3111 15.5024 -58.203 31.2705 33.3374 29.7256 9.06744 TIMING: 1393200 CPU: 4351.15, 0.0031307/step Wall: 4351.15, 0.0031307/step, 3.13661 hours remaining, 233.539062 MB of memory in use. ENERGY: 1393200 4071.3184 20591.8777 14464.6596 258.8533 -203103.7265 2743.8275 0.0000 0.0000 51924.7964 -109048.3935 298.4125 -160973.1900 -108686.7901 300.1908 -349.5582 -323.2638 764137.2052 -6.7750 -6.6833 PRESSURE: 1393400 46.0568 -134.868 -31.2675 -134.869 465.919 54.9561 -31.2669 54.956 -34.3989 GPRESSURE: 1393400 113.321 0.0203754 -91.8497 -96.563 397.139 60 37.8528 -54.177 48.1441 PRESSAVG: 1393400 27.9729 14.1516 -8.18736 14.1516 -35.7627 -51.2102 -8.18736 -51.2102 -4.93561 GPRESSAVG: 1393400 27.0913 14.4663 -8.81658 13.9353 -33.6859 -52.4488 -7.89695 -51.6301 -6.54337 TIMING: 1393400 CPU: 4351.77, 0.0031221/step Wall: 4351.77, 0.0031221/step, 3.12782 hours remaining, 233.539062 MB of memory in use. ENERGY: 1393400 4052.2946 20508.0064 14545.7177 258.7087 -203704.5909 3211.5065 0.0000 0.0000 52276.6620 -108851.6950 300.4347 -161128.3570 -108493.1911 299.9212 159.1923 186.2017 762949.0798 -4.2418 -4.3793 PRESSURE: 1393600 -81.3852 -76.5394 -83.4967 -76.5392 -240.23 112.192 -83.4969 112.193 -366.666 GPRESSURE: 1393600 33.8604 -140.454 -161.216 57.8298 -290.582 112.917 -73.3598 149.399 -343.038 PRESSAVG: 1393600 -7.28893 -41.0048 6.83647 -41.0048 20.7621 -35.7862 6.83651 -35.7861 6.76728 GPRESSAVG: 1393600 -6.37588 -40.8148 7.28018 -40.0879 19.2632 -36.4996 7.0399 -34.8281 7.12412 TIMING: 1393600 CPU: 4352.4, 0.00313679/step Wall: 4352.4, 0.00313679/step, 3.14236 hours remaining, 233.539062 MB of memory in use. ENERGY: 1393600 4020.3814 20694.6060 14462.6738 238.3555 -203604.1308 2977.5741 0.0000 0.0000 52085.3328 -109125.2071 299.3351 -161210.5399 -108768.4185 300.1177 -229.4270 -199.9200 765413.8613 6.7468 6.6705 PRESSURE: 1393800 -85.4278 113.603 -26.4581 113.604 -193.066 97.6565 -26.4583 97.6573 230.031 GPRESSURE: 1393800 18.1283 131.178 25.9192 102.813 -120.963 193.388 -79.9265 94.8366 143.167 PRESSAVG: 1393800 6.03882 11.6776 -12.5044 11.6776 -53.4731 -46.6549 -12.5044 -46.6549 -12.6181 GPRESSAVG: 1393800 5.86437 10.5682 -13.9127 11.3396 -53.5449 -46.1287 -10.8086 -46.1951 -12.3546 TIMING: 1393800 CPU: 4353.03, 0.00315072/step Wall: 4353.03, 0.00315072/step, 3.15615 hours remaining, 233.539062 MB of memory in use. ENERGY: 1393800 4011.8044 20411.9899 14464.1015 244.0027 -202996.8096 2700.0585 0.0000 0.0000 52293.6254 -108871.2272 300.5322 -161164.8526 -108500.4142 299.5492 -16.1544 13.4440 766256.2520 -20.0175 -20.0117 PRESSURE: 1394000 31.3965 104.361 -53.2615 104.36 -332.676 18.257 -53.2603 18.2574 239.197 GPRESSURE: 1394000 38.1135 22.9804 -49.857 207.568 -242.388 -53.9352 -129.459 40.4598 238.723 PRESSAVG: 1394000 38.5868 -55.0528 7.29147 -55.0528 -19.8234 -11.5068 7.29151 -11.5068 1.79399 GPRESSAVG: 1394000 37.9018 -56.1648 7.44712 -54.6277 -18.7624 -11.413 6.34221 -11.7969 1.07842 TIMING: 1394000 CPU: 4353.66, 0.0031409/step Wall: 4353.66, 0.0031409/step, 3.14614 hours remaining, 233.539062 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: 1394000 3925.2940 20659.5154 14382.1768 238.0409 -203334.0344 2995.9285 0.0000 0.0000 52132.8714 -109000.2074 299.6083 -161133.0787 -108634.6816 299.5508 -20.6941 11.4829 763481.8621 6.8525 6.7393 PRESSURE: 1394200 -4.6799 236.713 -42.6229 236.713 -125.582 150.447 -42.6234 150.447 -491.265 GPRESSURE: 1394200 -10.5437 180.971 -102.041 267.782 -178.722 112.768 133.703 177.893 -363.64 PRESSAVG: 1394200 43.9429 -28.8102 -14.8438 -28.8101 -52.2549 -8.8284 -14.8438 -8.82839 -9.16072 GPRESSAVG: 1394200 44.0024 -28.4774 -15.7699 -30.4131 -52.9296 -9.3554 -13.6484 -8.86219 -8.59951 TIMING: 1394200 CPU: 4354.29, 0.00313621/step Wall: 4354.29, 0.00313621/step, 3.14126 hours remaining, 233.539062 MB of memory in use. ENERGY: 1394200 4047.7588 20718.4040 14423.0519 227.2490 -202949.7534 2731.9624 0.0000 0.0000 51936.7661 -108864.5611 298.4813 -160801.3273 -108510.4915 299.7047 -207.1756 -184.3021 766651.5318 -5.8242 -5.8422 PRESSURE: 1394400 102.15 -230.688 -6.73621 -230.687 169.107 1.38852 -6.73562 1.38936 -42.6647 GPRESSURE: 1394400 245.557 -95.6209 -16.0003 -219.306 62.8565 -41.1202 -88.3285 -73.5041 -4.70439 PRESSAVG: 1394400 75.6427 22.241 -61.7352 22.2409 -71.3837 -22.6183 -61.7352 -22.6183 28.9591 GPRESSAVG: 1394400 76.6272 23.5945 -59.5756 22.7763 -71.7905 -22.6171 -64.8286 -23.9107 28.816 TIMING: 1394400 CPU: 4354.91, 0.00313391/step Wall: 4354.91, 0.00313391/step, 3.13879 hours remaining, 233.539062 MB of memory in use. ENERGY: 1394400 4004.7886 20493.1345 14425.3248 251.1370 -203360.6591 3047.9678 0.0000 0.0000 52344.3008 -108794.0056 300.8234 -161138.3063 -108425.4223 299.8256 76.1976 101.2363 764726.0943 11.0727 11.2175 PRESSURE: 1394600 -69.408 53.1303 148.048 53.13 -271.528 -196.682 148.048 -196.682 75.7945 GPRESSURE: 1394600 -15.7822 85.9661 131.464 62.0804 -254.31 -137.669 144.853 -152.974 82.7595 PRESSAVG: 1394600 55.8923 -41.0948 -16.5042 -41.0948 -77.1637 -51.3056 -16.5042 -51.3056 -13.6943 GPRESSAVG: 1394600 54.8835 -40.7706 -17.6307 -43.0468 -77.299 -50.7522 -16.1809 -48.1633 -13.089 TIMING: 1394600 CPU: 4355.54, 0.00312569/step Wall: 4355.54, 0.00312569/step, 3.13038 hours remaining, 233.539062 MB of memory in use. ENERGY: 1394600 4023.0687 20790.5577 14491.3153 257.5667 -203028.8325 2849.5441 0.0000 0.0000 52220.8741 -108395.9058 300.1141 -160616.7799 -108036.5077 300.7955 -88.3806 -62.4443 763801.0249 -11.6553 -11.8348 PRESSURE: 1394800 98.6677 45.8127 -41.2025 45.8128 19.5161 -111.527 -41.2024 -111.527 -16.3654 GPRESSURE: 1394800 177.542 70.9024 19.1237 231.717 70.7015 -129.505 -42.6465 -5.00377 -90.2593 PRESSAVG: 1394800 35.1879 11.6626 -0.554837 11.6626 -17.4539 -18.9207 -0.554851 -18.9208 16.2279 GPRESSAVG: 1394800 33.1752 8.98723 0.0332588 17.0084 -15.0961 -19.852 0.421403 -21.2802 16.2207 TIMING: 1394800 CPU: 4356.16, 0.00313362/step Wall: 4356.16, 0.00313362/step, 3.13815 hours remaining, 233.539062 MB of memory in use. ENERGY: 1394800 4022.4682 20590.5951 14402.6557 255.7862 -202911.4669 2808.2695 0.0000 0.0000 52225.6005 -108606.0918 300.1412 -160831.6923 -108237.9209 299.8938 33.9395 52.6615 763506.8951 11.3206 11.4332 PRESSURE: 1395000 86.5755 -202.319 -35.2325 -202.319 -23.4071 7.5706 -35.232 7.57079 36.5704 GPRESSURE: 1395000 103.711 -114.753 -79.8374 -166.634 112.778 25.817 31.5318 18.6292 -33.6815 PRESSAVG: 1395000 20.2251 -44.5412 33.8783 -44.5412 -33.6575 -78.1381 33.8783 -78.138 -18.4021 GPRESSAVG: 1395000 23.4481 -41.7622 34.0574 -45.5999 -36.7485 -76.1105 33.3493 -77.9487 -17.9616 TIMING: 1395000 CPU: 4356.79, 0.00313971/step Wall: 4356.79, 0.00313971/step, 3.14407 hours remaining, 233.539062 MB of memory in use. ENERGY: 1395000 3974.9526 20521.0928 14415.2415 243.7887 -202713.3435 2760.4901 0.0000 0.0000 52149.7041 -108648.0737 299.7051 -160797.7778 -108279.8621 299.6470 33.2463 60.9356 763843.1586 -10.6115 -10.4207 PRESSURE: 1395200 -31.3952 165.635 159.043 165.634 -28.6197 -110.921 159.043 -110.921 -309.716 GPRESSURE: 1395200 -66.5657 120.978 115.639 181.66 -25.3218 -80.2344 147.497 -151.122 -199.253 PRESSAVG: 1395200 -3.06923 -11.4309 4.63324 -11.4309 -49.9481 -32.6682 4.63326 -32.6682 -0.471184 GPRESSAVG: 1395200 -5.12852 -13.5097 3.25666 -13.6383 -47.988 -35.0351 5.97334 -32.972 0.09974 TIMING: 1395200 CPU: 4357.42, 0.00312914/step Wall: 4357.42, 0.00312914/step, 3.13331 hours remaining, 233.539062 MB of memory in use. ENERGY: 1395200 3934.0987 20871.1163 14420.8358 240.3600 -202880.0238 2706.8932 0.0000 0.0000 52068.3204 -108638.3993 299.2374 -160706.7197 -108286.2541 299.8874 -123.2436 -97.0468 765002.9713 -17.8295 -17.6723 PRESSURE: 1395400 -411.094 55.8003 -121.29 55.8008 -327.187 -64.7066 -121.289 -64.7066 -12.2809 GPRESSURE: 1395400 -359.242 132.036 -162.286 -16.0555 -221.3 -84.9841 -86.3949 74.4728 -79.3782 PRESSAVG: 1395400 13.9931 73.6414 -39.3945 73.6414 -37.6272 -10.1128 -39.3945 -10.1128 -4.49951 GPRESSAVG: 1395400 14.3437 76.4105 -39.7758 74.4503 -38.0116 -10.2702 -37.285 -9.59917 -3.69356 TIMING: 1395400 CPU: 4358.04, 0.00312839/step Wall: 4358.04, 0.00312839/step, 3.13239 hours remaining, 233.539062 MB of memory in use. ENERGY: 1395400 4049.4495 20578.1187 14328.1673 256.0361 -203064.3228 2518.8916 0.0000 0.0000 52215.7539 -109117.9058 300.0847 -161333.6597 -108756.6230 299.5127 -250.1872 -219.9735 762954.1480 -9.3779 -9.1205 PRESSURE: 1395600 -518.655 58.8524 85.7985 58.8525 149.337 81.495 85.7999 81.4947 -134.163 GPRESSURE: 1395600 -431.372 -57.6302 128.871 136.225 160.196 86.4113 55.1454 145.526 -133.19 PRESSAVG: 1395600 59.9172 36.9575 -25.0108 36.9575 -43.1551 6.13746 -25.0107 6.13745 15.9314 GPRESSAVG: 1395600 60.5653 35.4123 -23.5217 37.1069 -42.1291 8.18864 -26.2277 5.55399 14.5574 TIMING: 1395600 CPU: 4358.67, 0.00313227/step Wall: 4358.67, 0.00313227/step, 3.13609 hours remaining, 233.539062 MB of memory in use. ENERGY: 1395600 4056.4025 20657.4682 14427.0983 259.7210 -202893.4275 2399.6643 0.0000 0.0000 51979.2354 -109113.8379 298.7254 -161093.0733 -108749.4381 299.4030 -167.8270 -134.7885 763397.0650 10.8978 10.9978 PRESSURE: 1395800 -14.9546 -49.2251 -191.061 -49.2255 -295.832 -95.021 -191.062 -95.0208 62.1784 GPRESSURE: 1395800 -88.5587 -22.1961 -223.394 -85.7995 -254.434 -79.7816 -195.541 -64.7919 179.571 PRESSAVG: 1395800 11.1774 26.1943 -28.8504 26.1943 13.5581 -2.38069 -28.8504 -2.38074 -2.27059 GPRESSAVG: 1395800 10.3247 24.7323 -28.7059 28.94 12.2164 -1.68979 -30.0185 -2.93501 -0.893598 TIMING: 1395800 CPU: 4359.3, 0.00313419/step Wall: 4359.3, 0.00313419/step, 3.13785 hours remaining, 233.539062 MB of memory in use. ENERGY: 1395800 4025.9923 20687.7291 14429.1650 238.3484 -203268.8901 2666.0463 0.0000 0.0000 52167.8121 -109053.7969 299.8091 -161221.6089 -108680.8340 299.3204 -82.8696 -54.4742 762591.4029 7.4883 7.2159 PRESSURE: 1396000 -155.269 -21.7147 -255.289 -21.715 -253.464 -58.061 -255.29 -58.0619 18.4263 GPRESSURE: 1396000 -55.1634 -31.147 -357.729 -107.297 -280.614 -42.646 -168.407 -150.752 10.7958 PRESSAVG: 1396000 37.9986 37.1997 16.8652 37.1997 -39.107 2.92114 16.8652 2.92116 -0.100706 GPRESSAVG: 1396000 38.0623 39.1438 15.6296 36.3569 -38.4537 0.966265 17.3189 1.98899 -0.690996 TIMING: 1396000 CPU: 4359.92, 0.00312998/step Wall: 4359.92, 0.00312998/step, 3.13346 hours remaining, 233.539062 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: 1396000 4015.2027 20415.7925 14349.9937 253.8496 -203199.7341 2788.1498 0.0000 0.0000 52038.7758 -109337.9700 299.0676 -161376.7458 -108976.4541 299.3740 -130.1024 -108.3272 763989.4759 -0.4030 -0.3608 PRESSURE: 1396200 177.997 221 15.3876 220.999 -345.071 44.7205 15.3874 44.7203 -122.099 GPRESSURE: 1396200 108.413 167.942 -26.3271 244.939 -251.449 7.13339 -72.7517 -85.0961 -73.7228 PRESSAVG: 1396200 41.0636 11.6088 -22.0627 11.6088 -48.3644 -10.9366 -22.0627 -10.9367 -5.56623 GPRESSAVG: 1396200 42.254 12.3679 -21.1195 10.9471 -48.5454 -10.5368 -21.5734 -10.3413 -6.989 TIMING: 1396200 CPU: 4360.55, 0.00312283/step Wall: 4360.55, 0.00312283/step, 3.12613 hours remaining, 233.539062 MB of memory in use. ENERGY: 1396200 4050.7833 20566.0023 14456.9574 256.9584 -203220.0813 2612.9061 0.0000 0.0000 52047.9205 -109228.5533 299.1201 -161276.4739 -108861.0403 299.1723 -96.3909 -72.2528 762366.9790 -4.2890 -4.4268 LDB: ============= START OF LOAD BALANCING ============== 4373.03 LDB: ============== END OF LOAD BALANCING =============== 4373.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4373.03 LDB: ============= START OF LOAD BALANCING ============== 4373.34 LDB: Largest compute 7010 load 0.029270 is 15.0% of average load 0.195087 LDB: Average compute 0.004373 is 2.2% of average load 0.195087 LDB: TIME 4373.34 LOAD: AVG 0.195087 MAX 0.214341 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.562 MB LDB: TIME 4373.34 LOAD: AVG 0.195087 MAX 0.214341 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.562 MB LDB: TIME 4373.34 LOAD: AVG 0.195087 MAX 0.214341 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.562 MB LDB: ============== END OF LOAD BALANCING =============== 4373.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4373.35 PRESSURE: 1396400 208.712 52.2599 119.617 52.2605 -184.044 144.551 119.616 144.552 -215.391 GPRESSURE: 1396400 195.013 98.0397 20.9816 127.271 -155.351 61.2066 74.9659 114.584 -140.656 PRESSAVG: 1396400 50.2515 21.3945 3.30101 21.3946 -48.0593 -19.0153 3.301 -19.0154 1.02883 GPRESSAVG: 1396400 48.3828 21.3652 3.82926 20.7876 -47.7062 -18.8065 1.64394 -17.7088 2.21422 TIMING: 1396400 CPU: 4361.18, 0.00318435/step Wall: 4361.18, 0.00318435/step, 3.18753 hours remaining, 234.175781 MB of memory in use. ENERGY: 1396400 4046.8477 20559.4858 14386.8190 233.1775 -203656.1101 2976.8811 0.0000 0.0000 52088.7351 -109364.1638 299.3547 -161452.8989 -109006.9852 299.0315 -63.5742 -33.6648 761559.3223 1.0737 0.9636 PRESSURE: 1396600 -276.393 132.471 6.96499 132.471 -110.663 -92.4688 6.96456 -92.469 -21.5408 GPRESSURE: 1396600 -296.76 3.75271 -11.5229 80.7383 -75.959 -56.5693 -55.4857 -49.4021 49.2504 PRESSAVG: 1396600 29.4013 14.6672 -29.4435 14.6673 -8.80626 -30.9153 -29.4434 -30.9153 1.11681 GPRESSAVG: 1396600 30.5892 12.4265 -30.5149 15.8744 -9.26763 -29.1014 -28.8409 -32.4467 0.211327 TIMING: 1396600 CPU: 4361.81, 0.00311358/step Wall: 4361.81, 0.00311358/step, 3.11652 hours remaining, 234.175781 MB of memory in use. ENERGY: 1396600 4013.8794 20597.4003 14390.6126 240.6512 -203162.2476 2696.9584 0.0000 0.0000 52264.1577 -108958.5879 300.3628 -161222.7456 -108588.8557 299.4108 -136.1991 -107.8230 761236.8665 7.2373 7.1776 PRESSURE: 1396800 257.334 145.669 32.153 145.668 93.9367 193.279 32.1528 193.28 423.818 GPRESSURE: 1396800 275.296 193.619 -41.847 96.214 111.08 107.49 -48.8572 142.805 489.277 PRESSAVG: 1396800 14.0204 32.6029 -81.7022 32.6029 -29.4665 -22.2992 -81.7023 -22.2991 -12.0473 GPRESSAVG: 1396800 14.1416 32.8298 -82.1111 29.0212 -30.1687 -23.0062 -81.7918 -20.9023 -11.5667 TIMING: 1396800 CPU: 4362.43, 0.00312021/step Wall: 4362.43, 0.00312021/step, 3.12298 hours remaining, 234.175781 MB of memory in use. ENERGY: 1396800 3987.1692 20494.4882 14451.2993 233.5769 -203419.5331 2839.4252 0.0000 0.0000 52437.6015 -108975.9726 301.3596 -161413.5741 -108605.2151 299.7387 258.3632 291.8844 760620.9327 -9.1645 -9.1979 PRESSURE: 1397000 -64.6168 -110.784 57.4845 -110.784 135.737 2.39323 57.4843 2.39249 150.084 GPRESSURE: 1397000 -120.918 -124.083 104.365 -20.182 272.501 -49.724 59.269 -38.0072 151.989 PRESSAVG: 1397000 41.3497 0.520861 -32.6803 0.520831 -18.0015 -20.6783 -32.6804 -20.6783 30.6739 GPRESSAVG: 1397000 40.3667 1.14276 -30.9295 2.01001 -16.7551 -20.1519 -31.2101 -21.2793 30.1716 TIMING: 1397000 CPU: 4363.06, 0.00313139/step Wall: 4363.06, 0.00313139/step, 3.134 hours remaining, 234.175781 MB of memory in use. ENERGY: 1397000 3968.4944 20404.0576 14436.4545 239.0800 -203333.6290 2741.0288 0.0000 0.0000 52116.1925 -109428.3211 299.5125 -161544.5136 -109071.3455 299.3717 73.7347 101.1907 760279.2451 18.0074 17.9277 PRESSURE: 1397200 219.118 132.513 -54.8433 132.513 174.212 244.157 -54.8432 244.158 -44.5054 GPRESSURE: 1397200 347.169 100.623 -52.6259 71.8037 54.79 211.177 -84.5468 163.522 30.2424 PRESSAVG: 1397200 75.8118 -36.7462 9.82368 -36.7462 -51.7646 -5.51198 9.8236 -5.51198 15.4176 GPRESSAVG: 1397200 76.5803 -33.8145 8.75354 -37.0631 -52.0827 -4.95268 10.2513 -7.03609 14.8538 TIMING: 1397200 CPU: 4363.68, 0.00313289/step Wall: 4363.68, 0.00313289/step, 3.13532 hours remaining, 234.175781 MB of memory in use. ENERGY: 1397200 3933.1693 20497.5910 14288.8298 260.3358 -203510.8012 2955.7664 0.0000 0.0000 52163.8295 -109411.2795 299.7862 -161575.1090 -109037.7949 298.7152 116.2750 144.0670 762419.7812 13.1549 13.1171 PRESSURE: 1397400 -331.269 150.738 -7.47143 150.737 297.888 0.873605 -7.47089 0.873188 -299.101 GPRESSURE: 1397400 -232.478 103.219 -79.3985 212.426 200.723 51.8921 24.5521 -28.3212 -199.036 PRESSAVG: 1397400 47.6245 31.0354 42.0751 31.0353 -64.4698 42.2158 42.0751 42.2158 -5.36777 GPRESSAVG: 1397400 46.6152 28.8888 42.3206 31.3927 -64.2938 41.7434 38.2588 42.3959 -5.18466 TIMING: 1397400 CPU: 4364.31, 0.00313948/step Wall: 4364.31, 0.00313948/step, 3.14175 hours remaining, 234.175781 MB of memory in use. ENERGY: 1397400 4100.6368 20608.5030 14410.8818 250.3589 -203096.2292 2493.2744 0.0000 0.0000 51890.4148 -109342.1596 298.2149 -161232.5743 -108986.7119 298.6991 -110.8276 -76.9305 763181.3947 -7.4044 -7.6211 PRESSURE: 1397600 393.825 -56.0017 47.2896 -56.003 -123.261 -40.3412 47.2888 -40.3408 379.01 GPRESSURE: 1397600 348.989 -84.7156 219.093 -23.9876 -103.38 25.6883 86.8856 -30.8726 512.903 PRESSAVG: 1397600 27.0302 9.48957 45.5066 9.4895 -31.2543 -16.8973 45.5066 -16.8973 6.00619 GPRESSAVG: 1397600 27.9055 8.67047 44.8069 11.2591 -32.9149 -17.399 48.8132 -16.1161 6.40238 TIMING: 1397600 CPU: 4364.94, 0.00313752/step Wall: 4364.94, 0.00313752/step, 3.13962 hours remaining, 234.175781 MB of memory in use. ENERGY: 1397600 4010.1968 20584.0259 14399.6090 244.5810 -203652.0012 3270.2684 0.0000 0.0000 52034.6299 -109108.6902 299.0437 -161143.3202 -108756.9577 299.0468 216.5245 252.8371 761796.4253 0.5941 0.4643 PRESSURE: 1397800 -254.563 75.077 -67.3615 75.0763 -203.362 -91.6803 -67.3623 -91.6802 -300.952 GPRESSURE: 1397800 -266.414 42.5715 -130.166 -3.0524 -248.501 -60.401 -72.5416 -36.2401 -141.477 PRESSAVG: 1397800 71.6678 20.4814 16.2975 20.4814 -70.4229 66.32 16.2975 66.32 18.6901 GPRESSAVG: 1397800 70.5717 19.5378 15.2312 19.7694 -69.8764 64.3918 15.7569 65.3492 19.2742 TIMING: 1397800 CPU: 4365.56, 0.00312549/step Wall: 4365.56, 0.00312549/step, 3.1274 hours remaining, 234.175781 MB of memory in use. ENERGY: 1397800 3899.4849 20591.0942 14357.4344 253.4662 -203017.8073 2694.9696 0.0000 0.0000 52002.4835 -109218.8746 298.8590 -161221.3581 -108852.7270 299.5512 -252.9592 -218.7974 763865.8168 6.6450 6.6565 PRESSURE: 1398000 -165.509 -127.855 -214.439 -127.855 -119.722 -251.966 -214.439 -251.966 31.4153 GPRESSURE: 1398000 -67.8045 -222.529 -326.987 -131.317 -59.8329 -206.695 -159.784 -254.047 -19.8699 PRESSAVG: 1398000 26.8379 17.5585 8.78614 17.5584 -19.6177 -5.98656 8.78615 -5.98656 15.7989 GPRESSAVG: 1398000 27.6957 18.9795 8.44709 13.095 -20.0758 -5.65558 9.6845 -3.54606 14.9316 TIMING: 1398000 CPU: 4366.19, 0.00312669/step Wall: 4366.19, 0.00312669/step, 3.12842 hours remaining, 234.175781 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: 1398000 3970.5566 20437.8119 14357.0772 262.3633 -203160.3741 2784.7401 0.0000 0.0000 52304.4770 -109043.3480 300.5945 -161347.8250 -108663.2005 299.3113 -84.6053 -49.1691 763199.2942 7.6730 7.5172 PRESSURE: 1398200 -94.052 -165.615 -37.1013 -165.615 129.565 142.561 -37.1018 142.561 271.555 GPRESSURE: 1398200 -27.5203 -132.911 -78.4503 -53.8671 124.963 146.839 -22.2486 54.814 310.831 PRESSAVG: 1398200 -14.8622 -21.6333 -31.8268 -21.6332 9.08389 48.5505 -31.8268 48.5505 1.10105 GPRESSAVG: 1398200 -14.6081 -21.8715 -29.9215 -17.0741 10.0229 49.0682 -33.3088 47.1878 0.0281851 TIMING: 1398200 CPU: 4366.82, 0.00313598/step Wall: 4366.82, 0.00313598/step, 3.13755 hours remaining, 234.175781 MB of memory in use. ENERGY: 1398200 3910.3345 20538.0559 14426.4399 250.7983 -202935.9303 2596.5004 0.0000 0.0000 52123.1463 -109090.6550 299.5524 -161213.8013 -108725.8513 299.1601 102.3560 136.0914 763105.3043 -1.5591 -1.5190 PRESSURE: 1398400 11.3462 60.5093 47.7864 60.5083 -78.117 88.0226 47.7853 88.0235 -208.254 GPRESSURE: 1398400 -32.7012 -46.7827 -11.3346 65.3099 4.97515 10.9111 114.45 58.6894 -170.219 PRESSAVG: 1398400 19.6153 -22.9272 -2.48926 -22.9273 -22.0424 25.9692 -2.48924 25.9691 -4.47005 GPRESSAVG: 1398400 19.4693 -23.5387 -3.34792 -24.3714 -22.2435 26.7899 -2.48065 24.9045 -4.39646 TIMING: 1398400 CPU: 4367.44, 0.00313681/step Wall: 4367.44, 0.00313681/step, 3.13821 hours remaining, 234.175781 MB of memory in use. ENERGY: 1398400 4076.0958 20723.0160 14403.8792 245.8490 -203125.0294 2986.5539 0.0000 0.0000 51767.3339 -108922.3015 297.5076 -160689.6354 -108576.4092 298.9152 -91.6748 -65.9818 764148.8918 -2.2991 -2.3902 PRESSURE: 1398600 -520.658 -19.137 41.3319 -19.1379 -19.3956 -343.474 41.3331 -343.473 3.92504 GPRESSURE: 1398600 -492.909 -54.8677 60.7599 -9.54962 68.9612 -324.889 60.0091 -278.244 -16.8858 PRESSAVG: 1398600 56.2133 -21.2509 -38.3005 -21.2509 -49.5474 22.5024 -38.3005 22.5025 28.6528 GPRESSAVG: 1398600 55.6231 -20.7901 -39.7148 -20.1629 -50.0732 22.2389 -38.3767 22.8614 29.3555 TIMING: 1398600 CPU: 4368.07, 0.00314117/step Wall: 4368.07, 0.00314117/step, 3.14239 hours remaining, 234.175781 MB of memory in use. ENERGY: 1398600 4034.4027 20373.8140 14373.5827 236.5269 -202471.1721 2715.3280 0.0000 0.0000 51635.7576 -109101.7602 296.7514 -160737.5177 -108743.7085 298.9844 -178.7096 -146.9445 765491.1548 11.7729 11.6351 PRESSURE: 1398800 148.498 120.174 -72.1906 120.173 -211.074 64.7077 -72.1907 64.7073 283.977 GPRESSURE: 1398800 193.82 145.215 -42.4275 129.02 -180.91 80.2216 -64.3185 32.1151 301.353 PRESSAVG: 1398800 20.2847 -0.475152 -12.5815 -0.475162 -38.737 -0.929038 -12.5816 -0.929118 0.047841 GPRESSAVG: 1398800 20.8237 -0.347798 -10.5777 -2.67385 -38.9543 -2.04542 -11.6749 0.165815 -0.22028 TIMING: 1398800 CPU: 4368.7, 0.00313528/step Wall: 4368.7, 0.00313528/step, 3.13633 hours remaining, 234.175781 MB of memory in use. ENERGY: 1398800 3924.1479 20566.5792 14356.7168 228.6769 -202606.6827 2638.4358 0.0000 0.0000 51869.6972 -109022.4290 298.0959 -160892.1261 -108658.9392 298.9771 73.8002 104.7542 764603.9609 -6.1348 -6.1170 PRESSURE: 1399000 92.6426 70.5302 -188.025 70.5302 -26.4492 -62.2786 -188.024 -62.2791 216.615 GPRESSURE: 1399000 66.5012 -14.269 -160.32 66.9104 11.6013 -150.859 -250.608 16.2834 280.422 PRESSAVG: 1399000 70.1916 -1.91669 -31.698 -1.91669 -50.8278 6.37241 -31.6981 6.37244 -3.80369 GPRESSAVG: 1399000 68.9659 -3.02672 -34.1966 1.21314 -50.0417 7.44727 -32.1424 5.38235 -2.93342 TIMING: 1399000 CPU: 4369.33, 0.00313806/step Wall: 4369.33, 0.00313806/step, 3.13894 hours remaining, 234.175781 MB of memory in use. ENERGY: 1399000 3969.2982 20570.2087 14382.5820 254.6706 -203046.7555 2749.6070 0.0000 0.0000 52358.7215 -108761.6675 300.9063 -161120.3890 -108394.5834 299.2386 94.2694 119.5083 762593.7897 5.1867 5.3303 PRESSURE: 1399200 -49.9062 12.7141 -25.1647 12.714 46.6071 -117.885 -25.1643 -117.884 508.131 GPRESSURE: 1399200 15.4113 -38.1905 93.3988 -45.2808 -5.4023 -214.632 -4.03224 -54.8064 552.284 PRESSAVG: 1399200 55.9289 55.497 -2.9844 55.4969 -62.24 25.4274 -2.98441 25.4274 -9.90206 GPRESSAVG: 1399200 56.0278 56.7895 0.709974 52.8343 -62.5179 25.5975 -2.43418 24.6067 -9.75427 TIMING: 1399200 CPU: 4369.95, 0.00313468/step Wall: 4369.95, 0.00313468/step, 3.13537 hours remaining, 234.175781 MB of memory in use. ENERGY: 1399200 3931.3063 20587.4907 14450.9143 247.2759 -202928.8718 3021.7869 0.0000 0.0000 52005.7442 -108684.3535 298.8777 -160690.0977 -108328.4791 299.5907 168.2775 187.4311 762992.7952 -5.4044 -5.4148 PRESSURE: 1399400 318.321 -115.742 -22.5266 -115.742 -70.6469 50.4141 -22.527 50.4135 326.39 GPRESSURE: 1399400 350.831 -67.926 -0.529376 -154.063 -46.9755 80.735 30.8642 112.983 340.01 PRESSAVG: 1399400 -3.73353 52.3834 -24.7558 52.3834 6.72193 8.75838 -24.7557 8.75834 8.8725 GPRESSAVG: 1399400 -3.12484 52.5483 -25.3121 52.2475 7.4903 8.2801 -27.8102 9.0839 7.61221 TIMING: 1399400 CPU: 4370.58, 0.00314355/step Wall: 4370.58, 0.00314355/step, 3.14407 hours remaining, 234.175781 MB of memory in use. ENERGY: 1399400 3952.8239 20658.2536 14374.2266 258.6710 -202887.3399 2792.5307 0.0000 0.0000 52156.9715 -108693.8624 299.7468 -160850.8340 -108330.6215 300.0204 191.3549 214.6217 762926.2106 3.9536 3.9926 PRESSURE: 1399600 -457 -74.55 21.0258 -74.5501 29.3761 14.2755 21.0258 14.2768 -22.2116 GPRESSURE: 1399600 -388.794 -8.30524 -49.0092 -119.062 60.2219 -6.95274 31.1433 -67.7513 -22.5977 PRESSAVG: 1399600 14.1822 -30.8725 54.3201 -30.8724 8.14873 27.5967 54.3201 27.5967 -0.312627 GPRESSAVG: 1399600 14.4399 -32.4389 53.8104 -27.8462 7.08087 26.6418 55.2687 28.3713 0.417509 TIMING: 1399600 CPU: 4371.21, 0.00315503/step Wall: 4371.21, 0.00315503/step, 3.15538 hours remaining, 234.175781 MB of memory in use. ENERGY: 1399600 3977.2321 20523.6754 14381.7544 251.7577 -202787.9199 2674.0675 0.0000 0.0000 52239.9636 -108739.4693 300.2238 -160979.4329 -108386.8910 300.0842 -149.9453 -117.0564 763031.0525 7.3394 7.3128 PRESSURE: 1399800 84.7306 71.6297 317.495 71.6302 -49.2713 -212.985 317.495 -212.984 -98.5343 GPRESSURE: 1399800 6.71808 4.96443 297.376 49.8561 27.0306 -278.067 201.378 -137.214 -26.0691 PRESSAVG: 1399800 -9.01913 18.2186 -16.7048 18.2186 24.0919 -45.1221 -16.7048 -45.1221 11.604 GPRESSAVG: 1399800 -10.4971 19.8826 -18.5932 16.3521 24.4209 -43.5319 -16.8347 -46.8134 12.9625 TIMING: 1399800 CPU: 4371.84, 0.00311986/step Wall: 4371.84, 0.00311986/step, 3.12003 hours remaining, 234.175781 MB of memory in use. ENERGY: 1399800 4008.4615 20454.4239 14388.4009 233.6207 -202970.9590 2743.0635 0.0000 0.0000 52254.5228 -108888.4656 300.3075 -161142.9884 -108526.3060 299.6459 -21.0250 2.5599 763208.9307 8.8923 8.9621 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1400000 WRITING COORDINATES TO RESTART FILE AT STEP 1400000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1400000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1400000 -17.6454 -202.034 300.429 -202.034 141.517 -74.0908 300.43 -74.0905 95.675 GPRESSURE: 1400000 48.9378 -314.782 281.179 -213.705 130.682 17.9652 260.354 -64.6368 123.02 PRESSAVG: 1400000 15.9841 -4.69257 11.2061 -4.69255 -22.6412 -17.7149 11.2061 -17.715 38.8013 GPRESSAVG: 1400000 19.0061 -5.94547 10.0715 -5.8397 -23.487 -18.0314 12.9256 -15.2197 36.8414 TIMING: 1400000 CPU: 4372.49, 0.00324085/step Wall: 4372.49, 0.00324085/step, 3.24085 hours remaining, 234.175781 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: 1400000 3948.1644 20591.8574 14438.5217 232.9610 -203301.4822 3014.2528 0.0000 0.0000 52247.3654 -108828.3594 300.2663 -161075.7249 -108464.0544 299.9500 73.1821 100.8797 763915.1112 10.7147 10.7868 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1400000 PRESSURE: 1400200 266.967 61.5567 76.1455 61.5562 235.624 -104.209 76.1457 -104.208 363.547 GPRESSURE: 1400200 289.343 26.0809 -25.3093 -68.7649 248.272 -106.327 -4.69503 -176.33 401.938 PRESSAVG: 1400200 23.4582 27.9983 55.0346 27.9983 -39.7242 -22.2125 55.0345 -22.2124 0.830032 GPRESSAVG: 1400200 21.2956 26.8533 58.6303 29.7063 -37.949 -21.6033 51.7669 -24.4187 1 TIMING: 1400200 CPU: 4373.12, 0.00314716/step Wall: 4373.12, 0.00314716/step, 3.14698 hours remaining, 234.175781 MB of memory in use. ENERGY: 1400200 3956.7759 20583.7083 14426.3513 259.0278 -203470.0287 3221.8349 0.0000 0.0000 52053.8903 -108968.4401 299.1544 -161022.3305 -108601.3873 299.5755 288.7126 313.1844 763041.6102 -5.1453 -5.2178 LDB: ============= START OF LOAD BALANCING ============== 4385.6 LDB: ============== END OF LOAD BALANCING =============== 4385.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4385.6 LDB: ============= START OF LOAD BALANCING ============== 4385.91 LDB: Largest compute 7052 load 0.030232 is 15.5% of average load 0.195087 LDB: Average compute 0.004371 is 2.2% of average load 0.195087 LDB: TIME 4385.91 LOAD: AVG 0.195087 MAX 0.214709 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.648 MB LDB: TIME 4385.91 LOAD: AVG 0.195087 MAX 0.214709 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.648 MB LDB: TIME 4385.92 LOAD: AVG 0.195087 MAX 0.214709 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.648 MB LDB: ============== END OF LOAD BALANCING =============== 4385.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4385.92 PRESSURE: 1400400 -81.7712 -135.002 273.059 -135.002 -230.393 125.474 273.059 125.474 118.202 GPRESSURE: 1400400 -80.2039 -208.216 304.916 -215.429 -93.2913 55.8024 180.246 -20.5676 76.7903 PRESSAVG: 1400400 44.181 50.8967 38.9081 50.8967 -12.6877 4.4407 38.9081 4.44069 17.4019 GPRESSAVG: 1400400 44.6033 52.6266 37.44 51.0583 -13.1562 2.10319 41.3922 7.20389 17.7613 TIMING: 1400400 CPU: 4373.76, 0.00320406/step Wall: 4373.76, 0.00320406/step, 3.2037 hours remaining, 234.050781 MB of memory in use. ENERGY: 1400400 4088.8579 20484.5647 14425.6093 259.1071 -203019.9486 2621.3024 0.0000 0.0000 52184.0382 -108956.4690 299.9024 -161140.5072 -108593.4272 299.5713 -64.6540 -32.2350 762562.3866 16.2984 16.4028 PRESSURE: 1400600 -82.2822 147.299 -31.1273 147.299 -588.057 126.915 -31.1284 126.915 191.665 GPRESSURE: 1400600 -45.0443 284.498 24.8405 93.7256 -520.475 136.289 46.1932 240.618 169.246 PRESSAVG: 1400600 53.6954 11.5084 -23.6443 11.5084 -45.4674 45.0966 -23.6444 45.0966 0.398293 GPRESSAVG: 1400600 55.5493 10.8194 -23.0858 11.2494 -45.3656 47.7069 -24.6709 43.0604 -1.49629 TIMING: 1400600 CPU: 4374.38, 0.00313198/step Wall: 4374.38, 0.00313198/step, 3.13146 hours remaining, 234.050781 MB of memory in use. ENERGY: 1400600 3913.6309 20595.7237 14365.8072 258.4474 -203220.6845 2718.8372 0.0000 0.0000 52393.2817 -108974.9563 301.1049 -161368.2380 -108612.5200 299.9558 -159.5581 -132.0912 762599.1390 2.8754 2.8958 PRESSURE: 1400800 32.8536 -80.4558 43.6649 -80.4561 -68.4358 -43.6058 43.6654 -43.6056 -115.83 GPRESSURE: 1400800 47.9282 -234.755 4.54548 4.84135 -47.5662 -75.3709 -56.7514 -67.7246 -61.2302 PRESSAVG: 1400800 71.468 7.94751 43.2993 7.94753 -58.9641 -2.65738 43.2992 -2.65733 16.9345 GPRESSAVG: 1400800 69.6266 8.18095 42.3478 9.29797 -58.6266 -4.63191 43.7047 -2.77256 18.3807 TIMING: 1400800 CPU: 4375.01, 0.00313615/step Wall: 4375.01, 0.00313615/step, 3.13545 hours remaining, 234.050781 MB of memory in use. ENERGY: 1400800 4029.1469 20563.8669 14462.7093 250.6176 -202682.6513 2609.9221 0.0000 0.0000 52114.6340 -108651.7546 299.5035 -160766.3886 -108289.1944 300.1054 -50.4708 -20.2894 763400.1823 9.8128 9.7936 PRESSURE: 1401000 -65.3602 59.3491 -192.493 59.3491 73.1186 69.0804 -192.493 69.0811 -246.893 GPRESSURE: 1401000 -25.9872 41.4695 -216.171 -45.3203 30.2126 115.895 -226.008 83.8198 -173.15 PRESSAVG: 1401000 52.1276 -7.33984 -18.2429 -7.33974 -69.5329 -20.5504 -18.2429 -20.5503 -20.0113 GPRESSAVG: 1401000 51.4995 -6.97621 -18.6879 -9.30432 -69.6089 -19.5634 -17.8221 -20.7068 -19.0505 TIMING: 1401000 CPU: 4375.64, 0.00313507/step Wall: 4375.64, 0.00313507/step, 3.1342 hours remaining, 234.050781 MB of memory in use. ENERGY: 1401000 3955.0711 20675.4252 14409.7527 241.4548 -202969.7420 2794.4180 0.0000 0.0000 52314.3437 -108579.2766 300.6513 -160893.6203 -108214.3347 300.5146 -79.7114 -56.3081 762943.2658 -12.4722 -12.3866 PRESSURE: 1401200 -64.4229 -62.2815 7.13668 -62.2815 -229.112 61.1751 7.1366 61.1742 242.109 GPRESSURE: 1401200 -70.4399 -56.3008 -1.2386 -54.062 -176.379 31.9832 25.2981 -48.1747 286.573 PRESSAVG: 1401200 50.4771 56.5532 37.6489 56.5532 -46.6945 9.50075 37.6489 9.5008 -0.924392 GPRESSAVG: 1401200 50.913 57.0638 38.0163 55.9702 -47.1397 8.56945 39.5447 9.19627 -0.603056 TIMING: 1401200 CPU: 4376.27, 0.00315266/step Wall: 4376.27, 0.00315266/step, 3.15161 hours remaining, 234.050781 MB of memory in use. ENERGY: 1401200 3996.9928 20514.6347 14408.2897 249.7522 -202772.8717 2594.7338 0.0000 0.0000 52266.0106 -108742.4579 300.3735 -161008.4685 -108364.8176 300.5843 -17.1423 13.2515 763748.6751 0.9527 1.0567 PRESSURE: 1401400 -328.373 47.2098 -226.858 47.2096 -220.057 -73.4437 -226.858 -73.443 571.687 GPRESSURE: 1401400 -199.234 65.0959 -257.835 70.6204 -200.067 -39.4022 -207.882 80.0348 550.235 PRESSAVG: 1401400 27.1447 39.8908 -25.3646 39.8908 -29.7118 20.0708 -25.3646 20.0708 24.9568 GPRESSAVG: 1401400 27.8338 39.7098 -24.9502 41.1241 -30.0911 21.0683 -25.8368 19.3263 25.134 TIMING: 1401400 CPU: 4376.89, 0.00312543/step Wall: 4376.89, 0.00312543/step, 3.12421 hours remaining, 234.050781 MB of memory in use. ENERGY: 1401400 4029.3645 20463.1328 14423.0656 258.7834 -202706.3509 2532.1296 0.0000 0.0000 52235.0861 -108764.7889 300.1958 -160999.8750 -108394.6799 300.1201 7.7524 50.3115 761404.8569 7.4633 7.6256 PRESSURE: 1401600 -210.737 16.227 -19.2302 16.2266 -520.014 29.7133 -19.2301 29.7142 -217.89 GPRESSURE: 1401600 -175.206 -62.0503 60.039 22.7264 -494.789 107.827 -110.321 -137.088 -204.695 PRESSAVG: 1401600 67.4226 26.7542 -9.57831 26.7542 -37.8492 -25.0517 -9.57832 -25.0516 4.83596 GPRESSAVG: 1401600 68.5686 26.3333 -9.33376 27.5769 -38.7267 -25.2483 -11.655 -25.0573 3.89353 TIMING: 1401600 CPU: 4377.52, 0.00314418/step Wall: 4377.52, 0.00314418/step, 3.14278 hours remaining, 234.050781 MB of memory in use. ENERGY: 1401600 4027.6533 20742.4430 14356.5970 254.5610 -202515.4714 2202.4563 0.0000 0.0000 52105.1081 -108826.6527 299.4488 -160931.7609 -108470.0374 300.0525 -316.2134 -291.5632 761641.8192 11.4698 11.2451 PRESSURE: 1401800 273.265 107.897 -12.1833 107.897 304.93 -32.8311 -12.1831 -32.8313 350.024 GPRESSURE: 1401800 346.84 159.759 -53.8684 145.572 309.602 29.9395 14.7908 20.4956 358.689 PRESSAVG: 1401800 10.9369 -9.46726 33.7152 -9.46722 -47.9615 -28.8964 33.7151 -28.8963 17.5066 GPRESSAVG: 1401800 9.85685 -9.11915 32.0065 -9.82555 -47.3542 -28.0103 33.5303 -28.15 17.4257 TIMING: 1401800 CPU: 4378.15, 0.00312995/step Wall: 4378.15, 0.00312995/step, 3.12839 hours remaining, 234.050781 MB of memory in use. ENERGY: 1401800 3980.4747 20506.2666 14418.2760 263.8584 -203512.3934 3070.5641 0.0000 0.0000 52176.0495 -109096.9040 299.8565 -161272.9536 -108733.9270 299.3611 309.4064 338.3771 760128.8428 -6.5060 -6.6906 PRESSURE: 1402000 252.717 -3.77408 1.58874 -3.77384 88.8094 -18.1869 1.58876 -18.1862 -108.428 GPRESSURE: 1402000 255.891 -96.0203 -66.2964 -10.6008 82.6482 -7.50737 23.7749 -10.3823 -36.2176 PRESSAVG: 1402000 23.9847 -6.32274 19.3318 -6.32278 2.06195 -17.5033 19.3319 -17.5033 -25.0323 GPRESSAVG: 1402000 23.1105 -7.08367 21.296 -6.66609 2.79919 -17.2285 20.8431 -19.3824 -24.7761 TIMING: 1402000 CPU: 4378.78, 0.00314295/step Wall: 4378.78, 0.00314295/step, 3.14121 hours remaining, 234.050781 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: 1402000 3970.8491 20476.2015 14389.9412 258.9124 -202993.2738 2665.3137 0.0000 0.0000 52119.4304 -109112.6254 299.5311 -161232.0558 -108740.6430 299.4236 77.6996 100.7740 761293.3723 0.3381 0.3778 PRESSURE: 1402200 -299.194 160.688 -151.617 160.688 -72.9791 72.6509 -151.618 72.6499 -242.143 GPRESSURE: 1402200 -248.311 203.406 -179.929 189.638 -68.9319 59.906 31.715 25.2127 -222.49 PRESSAVG: 1402200 47.6073 52.0681 -7.06709 52.0681 -41.204 -1.58514 -7.06708 -1.58513 2.40167 GPRESSAVG: 1402200 48.1531 54.238 -6.33179 50.1598 -41.7312 -2.79935 -7.67253 -0.490349 1.88165 TIMING: 1402200 CPU: 4379.4, 0.00311484/step Wall: 4379.4, 0.00311484/step, 3.11293 hours remaining, 234.050781 MB of memory in use. ENERGY: 1402200 3919.1004 20555.1414 14356.8516 256.4964 -202978.1635 2656.7287 0.0000 0.0000 52010.9701 -109222.8749 298.9078 -161233.8450 -108862.8166 299.3418 -204.7722 -179.9111 762453.6047 2.9350 2.7678 PRESSURE: 1402400 -321.704 -22.8099 -54.5682 -22.8095 -19.6715 -27.2207 -54.569 -27.2215 196.712 GPRESSURE: 1402400 -267.894 -16.2711 4.56676 17.6836 25.9303 -92.7792 -104.908 -38.172 177.848 PRESSAVG: 1402400 -0.811722 29.4135 2.40328 29.4135 -28.5284 -18.4655 2.40325 -18.4655 -0.190085 GPRESSAVG: 1402400 -0.62797 26.4435 2.14536 32.7885 -28.027 -19.4866 -0.708881 -18.8467 -1.0241 TIMING: 1402400 CPU: 4380.03, 0.00313146/step Wall: 4380.03, 0.00313146/step, 3.12937 hours remaining, 234.050781 MB of memory in use. ENERGY: 1402400 3938.0296 20510.9560 14343.1985 236.8956 -203110.6069 2587.4170 0.0000 0.0000 52309.0359 -109185.0742 300.6207 -161494.1101 -108820.4983 298.9339 -48.2211 -21.3719 762601.3768 -9.8434 -9.8930 PRESSURE: 1402600 37.2255 107.619 -294.585 107.618 -7.32908 -22.1341 -294.586 -22.1344 4.3658 GPRESSURE: 1402600 67.2717 77.546 -311.297 15.5634 33.2042 -186.409 -125.905 -66.1362 36.1429 PRESSAVG: 1402600 17.1651 41.3332 33.2383 41.3332 -14.2469 29.5438 33.2384 29.5438 0.36394 GPRESSAVG: 1402600 15.6898 43.6128 30.3488 40.0429 -14.6358 30.1916 38.2528 29.4286 2.24383 TIMING: 1402600 CPU: 4380.65, 0.0031295/step Wall: 4380.65, 0.0031295/step, 3.12724 hours remaining, 234.050781 MB of memory in use. ENERGY: 1402600 3994.4499 20613.9845 14401.8126 254.9497 -202821.7116 2612.3506 0.0000 0.0000 51992.7693 -108951.3950 298.8032 -160944.1644 -108585.5841 298.7635 11.4207 45.5396 763025.9222 1.0940 1.0993 PRESSURE: 1402800 154.951 -152.484 -132.639 -152.484 -335.958 -155.067 -132.638 -155.067 352.6 GPRESSURE: 1402800 169.809 -278.441 -97.1051 -93.0698 -368.265 -165.154 -177.584 -41.5241 443.946 PRESSAVG: 1402800 17.8062 10.2676 8.6029 10.2676 -15.005 -18.1375 8.60296 -18.1375 21.238 GPRESSAVG: 1402800 18.3846 10.2968 10.4409 6.89467 -15.3102 -20.8187 6.74388 -17.7257 21.0863 TIMING: 1402800 CPU: 4381.28, 0.00316131/step Wall: 4381.28, 0.00316131/step, 3.15885 hours remaining, 234.050781 MB of memory in use. ENERGY: 1402800 3960.7199 20619.5274 14429.4298 233.9077 -202875.1343 2518.4696 0.0000 0.0000 52284.2666 -108828.8134 300.4784 -161113.0800 -108461.7489 299.2169 57.1975 81.8303 763344.3520 8.0131 8.0536 PRESSURE: 1403000 -514.433 -121.038 49.4653 -121.038 -62.0978 254.501 49.4648 254.503 -68.8703 GPRESSURE: 1403000 -441.106 -105.866 -4.47842 -115.54 -111.922 198.545 65.0628 243.519 -32.9906 PRESSAVG: 1403000 -15.0074 -30.5678 -2.60127 -30.5678 -16.7323 47.2866 -2.60127 47.2867 -5.08141 GPRESSAVG: 1403000 -15.4583 -31.1726 -1.22476 -27.256 -16.5454 48.7699 -5.11387 47.9999 -5.16097 TIMING: 1403000 CPU: 4381.91, 0.0031482/step Wall: 4381.91, 0.0031482/step, 3.14557 hours remaining, 234.050781 MB of memory in use. ENERGY: 1403000 3992.7464 20568.4670 14357.1008 241.6715 -203095.1276 2714.9872 0.0000 0.0000 52409.3202 -108810.8344 301.1971 -161220.1546 -108452.3441 299.5338 -215.1338 -195.3396 764861.8458 -12.2737 -12.3882 PRESSURE: 1403200 -31.5328 -48.1737 32.5017 -48.1742 277.92 5.43444 32.5025 5.43497 -52.3554 GPRESSURE: 1403200 91.2553 -23.4251 36.341 -60.4465 254.108 -36.318 -40.8691 -159.504 -88.7454 PRESSAVG: 1403200 -17.9184 -1.96766 26.5377 -1.96772 -2.73163 -42.0992 26.5377 -42.0992 -14.454 GPRESSAVG: 1403200 -17.1704 -2.29767 25.2986 -0.952116 -2.90919 -43.3829 29.0995 -43.5346 -15.3757 TIMING: 1403200 CPU: 4382.54, 0.00313024/step Wall: 4382.54, 0.00313024/step, 3.12746 hours remaining, 234.050781 MB of memory in use. ENERGY: 1403200 3981.8441 20546.1865 14391.1273 260.5530 -203450.1768 2967.5898 0.0000 0.0000 52373.3298 -108929.5463 300.9902 -161302.8761 -108558.2605 299.6491 64.6773 85.5392 762455.3044 -11.7014 -11.8185 PRESSURE: 1403400 -382.037 -49.6755 -173.502 -49.6757 59.7459 -59.3806 -173.502 -59.3801 58.5528 GPRESSURE: 1403400 -300.792 -117.035 -150.399 -56.7685 37.3655 9.4469 -144.668 -1.14733 91.0709 PRESSAVG: 1403400 -39.149 32.1436 16.315 32.1436 20.1022 6.06807 16.3149 6.06805 -17.5877 GPRESSAVG: 1403400 -38.8606 33.0411 16.2535 30.9329 20.1286 7.44976 16.673 6.89457 -17.4841 TIMING: 1403400 CPU: 4383.16, 0.00312786/step Wall: 4383.16, 0.00312786/step, 3.12491 hours remaining, 234.050781 MB of memory in use. ENERGY: 1403400 3959.4154 20446.9189 14408.8204 246.4735 -202954.2896 2911.5485 0.0000 0.0000 52275.8264 -108705.2866 300.4299 -160981.1130 -108332.8452 299.7073 -87.9127 -57.4518 763892.2554 -12.2115 -12.0720 PRESSURE: 1403600 -74.5812 14.9073 -38.8089 14.9077 -129.991 89.057 -38.8091 89.0563 -155.507 GPRESSURE: 1403600 -79.4991 21.5139 -149.231 57.9089 -90.3656 116.101 -49.8694 31.9165 -107.462 PRESSAVG: 1403600 5.67747 -42.704 -9.94917 -42.7039 7.48633 31.5382 -9.94917 31.5382 21.4819 GPRESSAVG: 1403600 5.37587 -42.5562 -10.8928 -43.0536 7.39581 32.3001 -10.5179 30.4196 21.737 TIMING: 1403600 CPU: 4383.79, 0.00312838/step Wall: 4383.79, 0.00312838/step, 3.12525 hours remaining, 234.050781 MB of memory in use. ENERGY: 1403600 3958.6775 20615.8748 14369.8079 257.8553 -202790.9947 2560.2343 0.0000 0.0000 52292.1639 -108736.3811 300.5238 -161028.5450 -108378.6640 300.1489 -120.0262 -92.4421 763378.1260 11.5486 11.5029 PRESSURE: 1403800 -139.484 63.0419 75.2448 63.0418 -273.246 23.0895 75.2448 23.089 -400.214 GPRESSURE: 1403800 -87.4997 67.6233 79.8541 165.2 -326.472 10.0881 -3.72744 26.4126 -332.403 PRESSAVG: 1403800 38.8472 -17.3694 -23.161 -17.3694 -24.0532 -1.1733 -23.161 -1.17335 -8.36183 GPRESSAVG: 1403800 39.5324 -16.2244 -22.7342 -16.0409 -25.1472 -2.09119 -23.7789 -0.0633117 -8.29939 TIMING: 1403800 CPU: 4384.42, 0.00313371/step Wall: 4384.42, 0.00313371/step, 3.13041 hours remaining, 234.050781 MB of memory in use. ENERGY: 1403800 3912.0129 20529.2409 14454.2900 258.5907 -202819.2953 2547.1543 0.0000 0.0000 52152.9950 -108965.0116 299.7240 -161118.0065 -108602.5803 299.4672 -270.9812 -248.7914 762269.1119 2.1441 2.0286 PRESSURE: 1404000 -86.0813 119.348 -132.538 119.348 -16.6899 142.344 -132.538 142.343 -115.81 GPRESSURE: 1404000 -52.1341 157.165 -144.945 210.948 36.9762 142.155 -123.616 199.955 -126.066 PRESSAVG: 1404000 -16.7855 -3.69418 -11.9152 -3.69415 -36.9659 42.614 -11.9153 42.6139 10.6053 GPRESSAVG: 1404000 -19.0572 -5.23776 -12.1419 -4.39383 -34.7382 43.3253 -12.1252 40.952 11.0156 TIMING: 1404000 CPU: 4385.04, 0.00313815/step Wall: 4385.04, 0.00313815/step, 3.13466 hours remaining, 234.050781 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: 1404000 3997.4640 20669.6755 14449.9117 247.6678 -202770.1037 2482.1860 0.0000 0.0000 52083.6791 -108839.5196 299.3256 -160923.1988 -108482.5827 299.5280 -72.8603 -47.0748 763039.2850 -14.3820 -14.2599 PRESSURE: 1404200 -447.758 -84.1196 4.02502 -84.1195 -56.1444 -169.474 4.02557 -169.475 217.57 GPRESSURE: 1404200 -403.772 -110.465 -19.6184 -125.454 -67.314 -223.808 51.3292 -235.986 242.762 PRESSAVG: 1404200 -8.28556 2.80198 -81.1134 2.80205 -0.859838 48.1226 -81.1134 48.1225 -12.9105 GPRESSAVG: 1404200 -7.64284 3.98024 -80.5738 2.92868 -2.58785 47.6051 -78.8188 48.5765 -12.9115 TIMING: 1404200 CPU: 4385.67, 0.00314307/step Wall: 4385.67, 0.00314307/step, 3.1394 hours remaining, 234.050781 MB of memory in use. ENERGY: 1404200 3946.6204 20615.8885 14405.8819 244.7726 -202876.6787 2697.7097 0.0000 0.0000 52166.2106 -108799.5949 299.7999 -160965.8055 -108435.6498 300.2958 -95.4443 -76.1079 763359.3685 -7.3520 -7.7141 LDB: ============= START OF LOAD BALANCING ============== 4398.15 LDB: ============== END OF LOAD BALANCING =============== 4398.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4398.16 LDB: ============= START OF LOAD BALANCING ============== 4398.47 LDB: Largest compute 6978 load 0.029462 is 15.1% of average load 0.195044 LDB: Average compute 0.004390 is 2.3% of average load 0.195044 LDB: TIME 4398.47 LOAD: AVG 0.195044 MAX 0.215756 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.82 MB LDB: TIME 4398.47 LOAD: AVG 0.195044 MAX 0.215756 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.891 MB LDB: TIME 4398.47 LOAD: AVG 0.195044 MAX 0.215756 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.891 MB LDB: ============== END OF LOAD BALANCING =============== 4398.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4398.48 PRESSURE: 1404400 -583.759 96.2215 -201.551 96.2214 -114.733 50.0941 -201.551 50.0944 160.824 GPRESSURE: 1404400 -555.55 7.96992 -207.215 66.2278 -133.945 149.441 -136.913 34.5352 218.972 PRESSAVG: 1404400 -37.9727 -38.7845 -48.4177 -38.7845 48.8218 -18.8403 -48.4177 -18.8404 27.5263 GPRESSAVG: 1404400 -37.5749 -39.2652 -49.2396 -39.0558 47.8915 -18.6022 -48.2424 -17.7166 28.2181 TIMING: 1404400 CPU: 4386.31, 0.00320048/step Wall: 4386.31, 0.00320048/step, 3.19657 hours remaining, 234.878906 MB of memory in use. ENERGY: 1404400 4099.0190 20573.0143 14374.7493 258.9965 -202622.9710 2469.1003 0.0000 0.0000 52121.2838 -108726.8078 299.5417 -160848.0916 -108370.8931 300.1298 -179.2227 -156.8409 763766.5313 12.7918 12.8449 PRESSURE: 1404600 213.131 -211.893 126.513 -211.893 126.376 -21.1678 126.512 -21.1677 60.3599 GPRESSURE: 1404600 255.08 -175.913 152.832 -223.477 181.594 -149.244 22.638 44.6736 67.7122 PRESSAVG: 1404600 -45.4491 38.2305 -16.2216 38.2305 21.6897 33.9242 -16.2216 33.9241 -19.1948 GPRESSAVG: 1404600 -44.7159 36.6952 -14.6611 40.9297 21.602 33.2449 -18.3742 35.2946 -20.2848 TIMING: 1404600 CPU: 4386.94, 0.00313969/step Wall: 4386.94, 0.00313969/step, 3.13568 hours remaining, 235.082031 MB of memory in use. ENERGY: 1404600 3978.1049 20644.0383 14330.0094 244.1339 -202768.9367 2687.6251 0.0000 0.0000 52142.9443 -108742.0807 299.6662 -160885.0249 -108384.6888 299.7092 133.2891 168.1289 763711.8284 -14.3181 -14.4662 PRESSURE: 1404800 25.5851 121.392 -39.7865 121.392 -420.203 55.0075 -39.7861 55.0083 -902.353 GPRESSURE: 1404800 -33.0552 175.633 -84.2918 58.2301 -292.795 89.5919 3.1845 49.4878 -902.219 PRESSAVG: 1404800 -7.88704 16.6814 33.7495 16.6815 43.9616 -8.64333 33.7495 -8.64342 -0.567143 GPRESSAVG: 1404800 -9.21006 17.9571 32.572 15.0548 45.8242 -7.47011 33.9953 -9.41106 -1.17096 TIMING: 1404800 CPU: 4387.57, 0.00313575/step Wall: 4387.57, 0.00313575/step, 3.13157 hours remaining, 235.082031 MB of memory in use. ENERGY: 1404800 4025.0570 20598.7049 14395.6280 275.1558 -202928.7275 2472.4627 0.0000 0.0000 52463.1428 -108698.5763 301.5064 -161161.7191 -108329.6709 300.2183 -432.3237 -409.3565 762989.5177 11.8358 11.8144 PRESSURE: 1405000 -161.059 -40.8625 366.098 -40.8627 221.183 -38.133 366.099 -38.133 -312.331 GPRESSURE: 1405000 -95.0484 -7.67245 382.811 97.9869 180.702 -137.626 420.023 -64.6794 -279.536 PRESSAVG: 1405000 30.5987 -25.6701 49.0286 -25.6701 -18.8307 -31.468 49.0286 -31.4681 8.20667 GPRESSAVG: 1405000 32.9579 -27.839 49.1969 -25.9388 -20.8182 -33.8271 48.9366 -31.6911 7.5707 TIMING: 1405000 CPU: 4388.2, 0.00313356/step Wall: 4388.2, 0.00313356/step, 3.1292 hours remaining, 235.082031 MB of memory in use. ENERGY: 1405000 4063.8151 20609.7304 14410.5756 281.8804 -202851.8588 2712.4385 0.0000 0.0000 51883.4037 -108890.0151 298.1746 -160773.4188 -108522.5823 300.1799 -84.0690 -64.6275 762219.8899 6.6582 6.5701 PRESSURE: 1405200 -81.1629 -262.728 -23.0676 -262.727 151.074 23.493 -23.0681 23.4933 396.882 GPRESSURE: 1405200 -40.6886 -155.189 -71.5926 -171.563 164.555 10.8781 -12.4986 83.0338 429.13 PRESSAVG: 1405200 -36.3687 -49.2706 54.7273 -49.2705 -34.7911 -39.5764 54.7273 -39.5763 -1.07677 GPRESSAVG: 1405200 -36.9341 -46.6874 55.2409 -48.5899 -34.9648 -36.6155 53.411 -40.714 -0.70901 TIMING: 1405200 CPU: 4388.82, 0.00312214/step Wall: 4388.82, 0.00312214/step, 3.11763 hours remaining, 235.082031 MB of memory in use. ENERGY: 1405200 3977.0598 20677.3270 14406.7197 234.1596 -203224.3428 2916.6584 0.0000 0.0000 52164.4844 -108847.9338 299.7900 -161012.4182 -108484.7891 299.7317 155.5977 184.3320 762570.5892 -24.0789 -24.2027 PRESSURE: 1405400 24.8696 -136.767 -78.6166 -136.769 23.9114 208.752 -78.6166 208.752 -485.132 GPRESSURE: 1405400 -56.0538 -199.066 -162.325 -160.197 160.29 164.7 34.6697 171.617 -464.069 PRESSAVG: 1405400 35.3689 -0.0428467 -18.7805 -0.0428882 2.11209 -5.27556 -18.7806 -5.27563 7.5619 GPRESSAVG: 1405400 34.6337 -3.00914 -18.7099 0.697332 3.11158 -5.90183 -17.8528 -4.48653 7.98356 TIMING: 1405400 CPU: 4389.44, 0.00311524/step Wall: 4389.44, 0.00311524/step, 3.11057 hours remaining, 235.082031 MB of memory in use. ENERGY: 1405400 3991.1286 20633.0165 14430.2826 244.3534 -203068.7681 2709.3883 0.0000 0.0000 52109.3697 -108951.2290 299.4733 -161060.5987 -108587.6005 299.8427 -145.4504 -119.9442 763596.2205 15.0143 15.2430 PRESSURE: 1405600 43.1934 147.318 -133.154 147.317 -43.3079 -17.3729 -133.154 -17.3719 -158.493 GPRESSURE: 1405600 43.0277 115.591 -188.847 34.5912 0.00553171 -24.0247 -177.007 -17.7485 -125.364 PRESSAVG: 1405600 -65.6478 -35.5915 -60.5927 -35.5914 47.7289 -27.794 -60.5927 -27.794 -10.4326 GPRESSAVG: 1405600 -64.9077 -32.9662 -60.2172 -37.4133 46.3592 -26.3362 -60.7847 -28.6163 -10.041 TIMING: 1405600 CPU: 4390.07, 0.00312186/step Wall: 4390.07, 0.00312186/step, 3.11701 hours remaining, 235.082031 MB of memory in use. ENERGY: 1405600 4064.1178 20536.9947 14419.5168 238.7799 -202974.2552 2670.9612 0.0000 0.0000 52368.9875 -108674.8972 300.9653 -161043.8847 -108301.7577 300.4773 -52.8692 -27.4436 763140.2052 -9.4505 -9.5298 PRESSURE: 1405800 -151.976 -72.2646 -155.047 -72.2643 -115.968 120.28 -155.047 120.281 132.683 GPRESSURE: 1405800 -88.9172 -114.812 -93.0897 58.2734 -101.133 88.6887 -148.434 145.748 145.75 PRESSAVG: 1405800 -13.9823 -1.38222 -57.3176 -1.38227 -3.8815 9.70071 -57.3176 9.70072 -13.7752 GPRESSAVG: 1405800 -14.2353 -2.53223 -56.9539 0.595177 -2.70255 8.16445 -56.9985 11.3479 -15.1694 TIMING: 1405800 CPU: 4390.69, 0.00311654/step Wall: 4390.69, 0.00311654/step, 3.11151 hours remaining, 235.082031 MB of memory in use. ENERGY: 1405800 3963.1189 20600.9016 14410.2434 252.8685 -203222.4945 2780.0434 0.0000 0.0000 52289.9338 -108925.3850 300.5110 -161215.3188 -108556.2233 300.3511 -45.0869 -14.7666 763663.8738 -10.5463 -10.7024 PRESSURE: 1406000 75.66 8.78761 87.0456 8.78744 242.638 -146.931 87.0452 -146.93 39.1417 GPRESSURE: 1406000 151.805 -78.7871 -34.3558 -26.0908 319.904 -85.2563 138.095 -56.425 5.44385 PRESSAVG: 1406000 29.2209 -42.2142 -0.211696 -42.2143 -6.01349 -41.3909 -0.211717 -41.3909 -0.344839 GPRESSAVG: 1406000 29.6875 -41.5448 -0.226259 -43.977 -5.78873 -41.4107 -0.496675 -42.2297 -0.112466 TIMING: 1406000 CPU: 4391.32, 0.0031323/step Wall: 4391.32, 0.0031323/step, 3.12708 hours remaining, 235.082031 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: 1406000 3995.4884 20654.9749 14394.1925 237.5134 -203191.6722 2829.0260 0.0000 0.0000 52296.8462 -108783.6309 300.5507 -161080.4771 -108414.6921 300.0603 119.1466 159.0510 760445.8992 7.6209 7.9288 PRESSURE: 1406200 -589.571 73.016 -103.22 73.0161 -247.68 -76.6089 -103.22 -76.6089 -203.625 GPRESSURE: 1406200 -461.13 20.4987 -180.066 -19.8677 -305.582 -37.4912 45.2627 -189.416 -207.523 PRESSAVG: 1406200 29.0255 2.48474 8.56066 2.48469 -43.0583 -13.8103 8.5607 -13.8104 10.5435 GPRESSAVG: 1406200 27.9298 1.25541 8.22626 1.82616 -43.1349 -13.4854 11.3764 -14.6683 10.586 TIMING: 1406200 CPU: 4391.94, 0.00312616/step Wall: 4391.94, 0.00312616/step, 3.12077 hours remaining, 235.082031 MB of memory in use. ENERGY: 1406200 4050.7411 20788.4993 14430.8127 248.8451 -202784.1038 2252.6916 0.0000 0.0000 52281.8555 -108730.6586 300.4645 -161012.5142 -108362.9191 300.2456 -346.9586 -324.7452 761505.6247 -1.1631 -1.5397 PRESSURE: 1406400 -32.745 5.96669 -285.316 5.96553 -236.271 114.888 -285.317 114.889 111.68 GPRESSURE: 1406400 -4.42031 184.881 -221.765 3.60612 -186.639 25.8232 -281.496 105.208 105.712 PRESSAVG: 1406400 29.4866 -17.8161 4.44122 -17.8162 12.2352 -14.4107 4.44127 -14.4107 21.9253 GPRESSAVG: 1406400 29.5 -16.8857 5.47575 -17.0075 11.6293 -15.6563 1.46225 -15.8783 22.8062 TIMING: 1406400 CPU: 4392.57, 0.00313156/step Wall: 4392.57, 0.00313156/step, 3.12599 hours remaining, 235.082031 MB of memory in use. ENERGY: 1406400 3984.8432 20737.6961 14377.8659 252.6487 -202672.4698 2447.0037 0.0000 0.0000 52367.3799 -108505.0322 300.9561 -160872.4121 -108143.1266 300.7296 -52.4454 -28.4490 761728.3473 21.2157 21.3119 PRESSURE: 1406600 145.184 76.1578 213.941 76.1584 -74.6594 116.582 213.941 116.582 -47.3979 GPRESSURE: 1406600 251.944 28.0211 269.851 86.7875 -44.0884 86.1303 140.611 108.602 -93.2171 PRESSAVG: 1406600 35.8706 9.18187 -2.40939 9.18192 -40.8785 -43.3939 -2.40937 -43.3939 -19.5042 GPRESSAVG: 1406600 35.6192 7.77408 -3.88181 8.11186 -39.9481 -42.7758 0.257203 -41.7585 -19.4076 TIMING: 1406600 CPU: 4393.19, 0.00313021/step Wall: 4393.19, 0.00313021/step, 3.12448 hours remaining, 235.082031 MB of memory in use. ENERGY: 1406600 3975.9401 20573.4892 14417.8618 246.2789 -202999.1292 2775.5931 0.0000 0.0000 52278.1362 -108731.8300 300.4432 -161009.9662 -108362.1411 300.0781 7.7088 38.2129 763564.1317 -8.1707 -7.9122 PRESSURE: 1406800 -87.5726 38.2888 127.502 38.2883 -247.504 -174.16 127.502 -174.159 -341.447 GPRESSURE: 1406800 -30.6928 58.3525 189.824 33.4348 -161.026 -204.091 131.195 -163.515 -418.387 PRESSAVG: 1406800 38.1961 28.6478 -51.1728 28.6478 -6.8754 -50.9332 -51.1728 -50.9332 -3.56403 GPRESSAVG: 1406800 38.7573 28.4807 -53.0873 29.6867 -7.29924 -51.132 -52.0758 -50.8945 -3.97653 TIMING: 1406800 CPU: 4393.82, 0.00312805/step Wall: 4393.82, 0.00312805/step, 3.12214 hours remaining, 235.082031 MB of memory in use. ENERGY: 1406800 4035.4435 20547.6625 14374.2592 258.2689 -202866.7758 2680.8223 0.0000 0.0000 52186.2138 -108784.1056 299.9149 -160970.3194 -108421.9159 300.2816 -225.5076 -203.3685 761870.3444 9.2522 9.1605 PRESSURE: 1407000 -331.115 -101.84 85.8452 -101.84 -108.731 -238.161 85.8449 -238.161 147.951 GPRESSURE: 1407000 -323.042 -53.926 -2.54136 -33.7907 -3.03287 -187.126 12.9249 -187.663 120.562 PRESSAVG: 1407000 38.5184 21.7445 -6.21902 21.7444 -22.9342 -35.5133 -6.21905 -35.5132 7.20923 GPRESSAVG: 1407000 37.136 22.7225 -3.70192 23.3135 -21.4902 -34.3916 -8.24595 -37.6469 7.25654 TIMING: 1407000 CPU: 4394.45, 0.00314664/step Wall: 4394.45, 0.00314664/step, 3.14052 hours remaining, 235.082031 MB of memory in use. ENERGY: 1407000 4061.9328 20449.4086 14353.2803 244.8496 -202584.7020 2382.2840 0.0000 0.0000 52240.7249 -108852.2218 300.2282 -161092.9467 -108494.1874 299.7650 -97.2985 -68.5044 760957.9534 7.5978 7.6341 PRESSURE: 1407200 -106.247 109.036 -92.045 109.036 -240.026 -43.3469 -92.0443 -43.3477 -17.1718 GPRESSURE: 1407200 -143.522 77.1474 32.9514 69.9195 -116.522 -40.4697 37.4291 -69.0503 -24.0841 PRESSAVG: 1407200 26.7634 12.9502 -24.768 12.9502 0.157234 -19.6156 -24.7679 -19.6156 -0.929037 GPRESSAVG: 1407200 27.0617 12.3459 -24.4176 11.5729 0.189464 -20.709 -23.9894 -16.9164 -0.928495 TIMING: 1407200 CPU: 4395.08, 0.00314924/step Wall: 4395.08, 0.00314924/step, 3.14294 hours remaining, 235.082031 MB of memory in use. ENERGY: 1407200 4032.6439 20346.2159 14362.9154 254.1513 -203101.8818 2848.8136 0.0000 0.0000 52322.0094 -108935.1323 300.6953 -161257.1418 -108569.9461 300.0718 -121.1484 -94.7095 763161.4522 8.6639 8.7742 PRESSURE: 1407400 -244.989 114.336 -117.493 114.336 -484.599 -149.153 -117.493 -149.154 -112.782 GPRESSURE: 1407400 -231.246 44.448 -117.791 114.931 -403.516 -145.065 -121.159 -172.28 -127.119 PRESSAVG: 1407400 32.5801 -8.61246 -32.0885 -8.61247 -12.6833 9.33951 -32.0885 9.33942 -19.0045 GPRESSAVG: 1407400 32.5327 -8.22036 -32.3031 -8.2886 -13.0397 10.8125 -32.5717 7.03416 -18.6371 TIMING: 1407400 CPU: 4395.71, 0.00313989/step Wall: 4395.71, 0.00313989/step, 3.13343 hours remaining, 235.082031 MB of memory in use. ENERGY: 1407400 3993.0558 20418.7955 14472.4402 242.7868 -202409.3741 2242.4731 0.0000 0.0000 51821.8166 -109218.0059 297.8207 -161039.8226 -108853.8015 299.2167 -280.7899 -253.9605 764060.7235 0.2974 0.2853 PRESSURE: 1407600 -174.099 27.1165 178.98 27.1158 -243.65 -133.247 178.98 -133.248 -402.797 GPRESSURE: 1407600 -213.511 -32.0008 170.627 77.5103 -163.401 -62.5175 275.941 -227.56 -352.161 PRESSAVG: 1407600 -0.541935 50.938 -17.9531 50.938 -22.3453 -6.79332 -17.9531 -6.7933 -2.18686 GPRESSAVG: 1407600 0.0485583 50.581 -18.8488 48.9326 -23.0977 -8.38968 -16.4513 -5.2186 -1.8216 TIMING: 1407600 CPU: 4396.33, 0.0031346/step Wall: 4396.33, 0.0031346/step, 3.12798 hours remaining, 235.082031 MB of memory in use. ENERGY: 1407600 4039.6753 20511.6849 14403.5978 234.1464 -202885.9082 2444.9303 0.0000 0.0000 51859.5277 -109392.3458 298.0374 -161251.8735 -109033.9043 298.7712 -273.5155 -243.0241 762113.9317 -8.3580 -8.2903 PRESSURE: 1407800 120.848 114.386 121.782 114.387 195.28 -177.187 121.782 -177.186 -362.768 GPRESSURE: 1407800 77.1546 40.6683 22.2593 175.842 325.604 -226.379 175.365 -232.955 -353.072 PRESSAVG: 1407800 -10.474 -0.832715 -8.39957 -0.832706 -0.0413707 3.59378 -8.39955 3.59377 8.4558 GPRESSAVG: 1407800 -9.82533 -1.54816 -9.14218 -0.186352 -0.586316 3.85706 -8.29486 2.04966 7.57032 TIMING: 1407800 CPU: 4396.96, 0.00314755/step Wall: 4396.96, 0.00314755/step, 3.14073 hours remaining, 235.082031 MB of memory in use. ENERGY: 1407800 3959.7058 20355.4066 14426.0478 237.9087 -203248.9606 2813.4359 0.0000 0.0000 51982.0477 -109474.4080 298.7415 -161456.4557 -109114.4014 298.9616 -15.5468 16.5621 761830.0652 -0.6865 -0.9471 PRESSURE: 1408000 -0.690411 -4.54749 29.7558 -4.54729 -346.321 -63.704 29.7555 -63.7038 -223.24 GPRESSURE: 1408000 -20.8599 -17.8444 -12.2162 -12.471 -280.599 -71.1561 -160.844 -5.49469 -198.499 PRESSAVG: 1408000 -30.9426 -9.85597 1.03385 -9.85597 -6.05027 -14.4046 1.03383 -14.4046 -3.99556 GPRESSAVG: 1408000 -32.3088 -10.0888 1.48445 -9.81947 -4.61791 -14.3873 -0.124614 -14.5147 -4.15658 TIMING: 1408000 CPU: 4397.6, 0.00316112/step Wall: 4397.6, 0.00316112/step, 3.1541 hours remaining, 235.082031 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: 1408000 4004.5150 20484.8118 14322.0469 237.9857 -202584.1477 2403.5963 0.0000 0.0000 51995.2479 -109135.9442 298.8174 -161131.1921 -108773.5027 298.7397 -190.0837 -166.6526 762899.3612 -13.6628 -13.6944 PRESSURE: 1408200 46.468 34.7305 268.67 34.7298 -162.277 -203.313 268.671 -203.314 51.2056 GPRESSURE: 1408200 14.1202 10.9213 298.704 -47.2678 -148.006 -180.45 217.048 -115.959 135.985 PRESSAVG: 1408200 -27.9283 25.1612 -30.0569 25.1612 12.6585 -3.19638 -30.0569 -3.19648 12.5393 GPRESSAVG: 1408200 -29.0104 25.2275 -29.9347 25.915 11.2424 -3.69534 -30.4039 -2.04823 14.6194 TIMING: 1408200 CPU: 4398.22, 0.00313772/step Wall: 4398.22, 0.00313772/step, 3.13057 hours remaining, 235.082031 MB of memory in use. ENERGY: 1408200 3970.9439 20487.6828 14395.2684 247.6788 -203099.8570 2645.4398 0.0000 0.0000 52237.4433 -109115.4001 300.2093 -161352.8434 -108747.8233 299.1488 -21.5345 0.6999 762079.2105 -0.9102 -1.0495 LDB: ============= START OF LOAD BALANCING ============== 4410.7 LDB: ============== END OF LOAD BALANCING =============== 4410.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4410.7 LDB: ============= START OF LOAD BALANCING ============== 4411.02 LDB: Largest compute 7052 load 0.031226 is 16.0% of average load 0.195221 LDB: Average compute 0.004376 is 2.2% of average load 0.195221 LDB: TIME 4411.02 LOAD: AVG 0.195221 MAX 0.21712 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.664 MB LDB: TIME 4411.02 LOAD: AVG 0.195221 MAX 0.21712 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.664 MB LDB: TIME 4411.02 LOAD: AVG 0.195221 MAX 0.21712 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.664 MB LDB: ============== END OF LOAD BALANCING =============== 4411.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4411.03 PRESSURE: 1408400 -390.603 70.3958 -246.155 70.3955 14.2708 37.2385 -246.154 37.2378 94.4721 GPRESSURE: 1408400 -305.069 -5.39799 -240.47 241.811 31.7898 23.8841 -290.363 -190.6 91.9033 PRESSAVG: 1408400 -11.066 39.465 -42.6972 39.465 35.7576 -20.3868 -42.6972 -20.3867 8.53713 GPRESSAVG: 1408400 -9.79254 39.2936 -43.4225 39.7958 36.2693 -20.4946 -41.3816 -21.2407 7.21303 TIMING: 1408400 CPU: 4398.87, 0.00320881/step Wall: 4398.87, 0.00320881/step, 3.20132 hours remaining, 234.820312 MB of memory in use. ENERGY: 1408400 3933.8696 20558.2232 14441.3628 250.2035 -203164.1998 2670.7004 0.0000 0.0000 52412.6105 -108897.2298 301.2160 -161309.8403 -108530.8659 300.4879 -93.9532 -60.4585 761597.0487 11.0763 11.2299 PRESSURE: 1408600 -94.6503 142.034 -15.3209 142.034 287.018 -209.627 -15.3205 -209.627 -65.9797 GPRESSURE: 1408600 2.23611 70.5674 18.1232 68.3497 223.738 -183.054 93.4123 -71.9397 -45.6937 PRESSAVG: 1408600 -30.7195 52.2789 -29.4916 52.279 30.3046 -66.2003 -29.4916 -66.2002 19.3002 GPRESSAVG: 1408600 -31.6113 52.1417 -31.4582 52.139 31.1431 -66.3285 -30.3917 -65.9199 18.9574 TIMING: 1408600 CPU: 4399.49, 0.00313646/step Wall: 4399.49, 0.00313646/step, 3.12897 hours remaining, 235.023438 MB of memory in use. ENERGY: 1408600 3965.9654 20559.2131 14490.5139 242.8496 -202920.0125 2546.5057 0.0000 0.0000 52064.9503 -109050.0146 299.2180 -161114.9649 -108684.8034 300.1400 42.1293 60.0936 763450.7670 6.2951 6.1631 PRESSURE: 1408800 284.766 -148.947 67.7871 -148.946 351.127 154.562 67.7872 154.563 218.256 GPRESSURE: 1408800 273.562 -90.3544 152.378 -234.786 390.647 98.2566 23.8479 115.544 257.795 PRESSAVG: 1408800 -74.8371 25.9114 32.2526 25.9114 46.0602 -58.204 32.2526 -58.204 7.24251 GPRESSAVG: 1408800 -74.6602 27.0913 34.9431 24.5732 45.2558 -57.048 33.8244 -60.0485 8.23081 TIMING: 1408800 CPU: 4400.12, 0.00313915/step Wall: 4400.12, 0.00313915/step, 3.13148 hours remaining, 235.023438 MB of memory in use. ENERGY: 1408800 4008.3656 20437.3553 14436.1611 270.0264 -202746.0611 2632.3161 0.0000 0.0000 51947.3079 -109014.5287 298.5419 -160961.8366 -108653.5535 299.7814 284.7162 307.3347 762478.2331 -7.1781 -7.0579 PRESSURE: 1409000 -19.9907 -115.86 120.333 -115.859 38.6496 -24.707 120.333 -24.7062 -256.278 GPRESSURE: 1409000 76.8248 -111.874 135.609 -179.251 54.1121 -24.7611 75.2963 11.9224 -285.466 PRESSAVG: 1409000 31.9972 42.8995 -16.5532 42.8996 -17.1245 -15.0457 -16.5533 -15.0457 -10.1102 GPRESSAVG: 1409000 32.6954 43.9029 -17.6911 43.779 -17.4679 -15.4753 -16.2769 -12.726 -10.1549 TIMING: 1409000 CPU: 4400.75, 0.00313804/step Wall: 4400.75, 0.00313804/step, 3.1302 hours remaining, 235.023438 MB of memory in use. ENERGY: 1409000 3962.6613 20596.0892 14409.4121 264.0584 -203033.8296 2877.7944 0.0000 0.0000 51946.5897 -108977.2245 298.5378 -160923.8141 -108618.0263 299.5084 -79.2064 -51.5096 763055.5720 1.5875 1.6909 PRESSURE: 1409200 -46.4143 104.018 104.09 104.018 -149.557 114.381 104.091 114.381 -208.781 GPRESSURE: 1409200 -55.6232 74.9927 46.1257 130.86 -156.312 102.311 168.257 87.3365 -82.8451 PRESSAVG: 1409200 33.806 24.832 1.54508 24.832 3.43721 -8.90186 1.5451 -8.90184 -3.72002 GPRESSAVG: 1409200 33.2122 22.2613 1.60545 25.1187 3.69305 -10.5078 -0.0608343 -6.90602 -3.59064 TIMING: 1409200 CPU: 4401.37, 0.00312342/step Wall: 4401.37, 0.00312342/step, 3.11544 hours remaining, 235.023438 MB of memory in use. ENERGY: 1409200 3964.1436 20402.4756 14403.2208 244.6359 -202635.6927 2432.9322 0.0000 0.0000 52092.7178 -109095.5669 299.3776 -161188.2846 -108736.8844 299.0068 -134.9174 -98.2601 762281.0163 11.1744 11.1049 PRESSURE: 1409400 -18.7957 92.8401 53.3986 92.8399 -200.793 47.2829 53.3985 47.283 -138.452 GPRESSURE: 1409400 21.2564 74.3941 -21.7036 100.239 -186.517 -18.366 27.9189 8.37666 -122.425 PRESSAVG: 1409400 -21.7252 5.66236 -1.36464 5.66237 2.81099 2.17754 -1.36463 2.17744 -0.96217 GPRESSAVG: 1409400 -21.3549 7.26786 -2.03775 5.06992 2.81117 2.84118 0.0659828 -0.781633 -1.8089 TIMING: 1409400 CPU: 4402, 0.00314042/step Wall: 4402, 0.00314042/step, 3.13222 hours remaining, 235.023438 MB of memory in use. ENERGY: 1409400 4018.9105 20604.9978 14401.2188 221.0372 -203124.4787 2555.1080 0.0000 0.0000 51937.7181 -109385.4883 298.4868 -161323.2064 -109026.7582 298.8744 -119.3470 -95.8950 763053.0833 -6.6254 -6.7842 PRESSURE: 1409600 -303.101 -45.827 118.13 -45.8271 128.104 110.267 118.129 110.266 25.2922 GPRESSURE: 1409600 -211.962 -15.557 165.133 -73.3426 102.133 9.73518 -30.2759 67.9178 46.1422 PRESSAVG: 1409600 14.9966 -12.3749 16.3242 -12.3748 -9.60184 -32.1564 16.3242 -32.1564 3.49493 GPRESSAVG: 1409600 14.7114 -13.9112 17.7328 -11.4874 -10.3495 -31.628 13.5747 -31.557 4.57955 TIMING: 1409600 CPU: 4402.62, 0.00311243/step Wall: 4402.62, 0.00311243/step, 3.10413 hours remaining, 235.023438 MB of memory in use. ENERGY: 1409600 3932.2752 20556.0931 14428.9246 266.7465 -203191.8938 2673.5170 0.0000 0.0000 51899.5211 -109434.8164 298.2673 -161334.3375 -109078.6303 298.2201 -49.9015 -21.2289 762867.7034 2.9632 2.9805 PRESSURE: 1409800 39.8664 238.962 -59.8259 238.962 -192.959 21.3231 -59.8259 21.3228 52.677 GPRESSURE: 1409800 71.1914 144.788 -93.3444 122.574 -182.595 5.93105 -69.4346 191.79 97.7538 PRESSAVG: 1409800 13.9289 37.4031 11.7963 37.4031 4.81538 19.5745 11.7963 19.5746 -21.1897 GPRESSAVG: 1409800 14.811 37.5886 10.4373 37.2913 3.99917 19.2059 13.9923 20.1722 -21.2095 TIMING: 1409800 CPU: 4403.25, 0.00313168/step Wall: 4403.25, 0.00313168/step, 3.12315 hours remaining, 235.023438 MB of memory in use. ENERGY: 1409800 4044.3552 20295.7834 14446.3130 257.7308 -203037.4055 2749.4068 0.0000 0.0000 51813.2631 -109430.5532 297.7715 -161243.8163 -109069.1147 298.3866 -33.4718 -4.5500 763837.7469 -0.8151 -0.7998 PRESSURE: 1410000 -407.095 -129.043 -86.7946 -129.042 480.52 12.3148 -86.7945 12.3151 -155.691 GPRESSURE: 1410000 -280.066 -202.535 -51.6466 -29.2916 374.284 19.1762 -143.874 89.8165 -91.3822 PRESSAVG: 1410000 -18.9023 -22.472 32.3844 -22.4721 -23.1011 58.5555 32.3844 58.5556 11.581 GPRESSAVG: 1410000 -19.4188 -23.507 33.4243 -22.231 -22.6691 59.1122 31.8994 57.3266 11.7659 TIMING: 1410000 CPU: 4403.88, 0.00314868/step Wall: 4403.88, 0.00314868/step, 3.13993 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1410000 4010.1133 20473.3436 14425.2612 253.0670 -203508.4816 2966.5476 0.0000 0.0000 51779.0717 -109601.0771 297.5750 -161380.1488 -109250.7563 297.6901 -27.4220 0.9455 762585.2736 -10.1408 -10.1073 PRESSURE: 1410200 131.13 -259.652 106.335 -259.652 -245.552 -73.1573 106.336 -73.1579 83.8045 GPRESSURE: 1410200 146.704 -275.634 172.591 -172.559 -163.111 -50.9834 19.0829 -45.6211 72.478 PRESSAVG: 1410200 44.3986 21.8796 -5.64152 21.8797 -19.0317 -34.6527 -5.64152 -34.6527 -23.0634 GPRESSAVG: 1410200 44.6518 24.8517 -4.03161 21.816 -19.0544 -33.8572 -4.64958 -33.5351 -23.0539 TIMING: 1410200 CPU: 4404.51, 0.00314589/step Wall: 4404.51, 0.00314589/step, 3.13697 hours remaining, 235.023438 MB of memory in use. ENERGY: 1410200 3974.9878 20321.7250 14482.2068 243.3926 -202976.6083 2593.0657 0.0000 0.0000 51668.2421 -109692.9884 296.9381 -161361.2305 -109335.7316 298.2703 -10.2059 18.6904 760609.4200 0.7678 0.8478 PRESSURE: 1410400 -336.398 153.127 60.8109 153.127 -183.11 147.127 60.8112 147.128 22.1319 GPRESSURE: 1410400 -257.298 162.977 11.3443 80.3399 -146.31 157.487 40.6597 24.7571 -10.6305 PRESSAVG: 1410400 50.5243 0.0566565 -18.4431 0.0566894 -58.6741 -26.2964 -18.4432 -26.2964 -6.95683 GPRESSAVG: 1410400 50.6528 -1.62317 -21.2386 -1.40824 -57.2218 -26.5037 -17.0193 -26.3792 -8.30607 TIMING: 1410400 CPU: 4405.14, 0.00313799/step Wall: 4405.14, 0.00313799/step, 3.12892 hours remaining, 235.023438 MB of memory in use. ENERGY: 1410400 4080.8952 20375.6082 14479.9785 219.9859 -203199.2526 2711.5000 0.0000 0.0000 51645.5433 -109685.7417 296.8076 -161331.2850 -109334.3908 297.8713 -165.7921 -138.0792 760800.4345 -5.0356 -4.9584 PRESSURE: 1410600 -244.13 -71.2787 -44.5531 -71.2783 -150.348 105.89 -44.553 105.89 -540.1 GPRESSURE: 1410600 -161.874 -2.06552 -35.5146 -10.0697 -178.368 86.5667 -121.23 9.18974 -533.596 PRESSAVG: 1410600 30.7444 -4.91151 -16.4795 -4.91154 -33.2863 18.5588 -16.4794 18.5588 -9.06632 GPRESSAVG: 1410600 29.9367 -2.13257 -16.7855 -3.1689 -33.8676 18.1462 -17.6693 18.7256 -7.72092 TIMING: 1410600 CPU: 4405.76, 0.00312468/step Wall: 4405.76, 0.00312468/step, 3.11548 hours remaining, 235.023438 MB of memory in use. ENERGY: 1410600 4009.7371 20567.0387 14365.6668 236.4230 -203028.1867 2584.2018 0.0000 0.0000 51698.8330 -109566.2863 297.1139 -161265.1193 -109208.2200 298.0472 -311.5260 -291.2792 764281.4060 -3.8694 -3.8839 PRESSURE: 1410800 -214.684 -64.6894 -43.9005 -64.6896 181.92 2.16183 -43.9004 2.16147 93.4968 GPRESSURE: 1410800 -102.102 47.1387 -116.651 20.7988 196.324 -6.15384 120.651 145.62 39.9961 PRESSAVG: 1410800 16.5561 19.223 22.3114 19.2231 -15.4786 -18.426 22.3113 -18.426 17.6111 GPRESSAVG: 1410800 17.2313 16.1435 22.9613 18.4661 -16.0435 -18.7802 23.2555 -18.861 17.8718 TIMING: 1410800 CPU: 4406.39, 0.00312115/step Wall: 4406.39, 0.00312115/step, 3.11178 hours remaining, 235.023438 MB of memory in use. ENERGY: 1410800 3999.9575 20545.7509 14416.2259 234.8254 -203337.8828 2726.1898 0.0000 0.0000 52044.4544 -109370.4788 299.1002 -161414.9331 -109009.4403 297.9239 20.2442 44.7393 762819.0048 6.2295 6.3532 PRESSURE: 1411000 61.2347 -137.133 104.502 -137.132 143.723 -133.116 104.502 -133.115 158.259 GPRESSURE: 1411000 51.4323 -105.102 72.5838 -129.664 186.926 -85.6938 24.4224 -166.165 217.895 PRESSAVG: 1411000 34.2807 -35.7 7.80512 -35.7 -18.0215 16.5671 7.8051 16.5671 10.9689 GPRESSAVG: 1411000 34.4622 -34.8019 7.70443 -35.2306 -18.9105 16.6678 5.02892 16.3416 11.307 TIMING: 1411000 CPU: 4407.01, 0.003142/step Wall: 4407.01, 0.003142/step, 3.1324 hours remaining, 235.023438 MB of memory in use. ENERGY: 1411000 4014.6424 20628.5105 14412.2522 240.6624 -203174.5053 2918.3335 0.0000 0.0000 51700.6188 -109259.4855 297.1242 -160960.1043 -108897.8472 299.0287 121.0725 152.0844 762695.6676 9.0760 8.9529 PRESSURE: 1411200 -283.391 112.65 127.031 112.649 -681.603 -91.0279 127.031 -91.0287 -316.634 GPRESSURE: 1411200 -238.95 7.56679 192.384 45.9887 -635.789 -78.3012 125.704 -109.932 -322.446 PRESSAVG: 1411200 -13.8289 -23.1583 31.2322 -23.1584 38.2321 4.50132 31.2322 4.50136 25.0257 GPRESSAVG: 1411200 -14.7538 -22.6777 33.5743 -23.948 39.9536 4.94531 31.6468 5.73693 24.4351 TIMING: 1411200 CPU: 4407.64, 0.00314379/step Wall: 4407.64, 0.00314379/step, 3.13401 hours remaining, 235.023438 MB of memory in use. ENERGY: 1411200 3989.8350 20555.0880 14523.9491 243.6168 -203402.5777 2654.4122 0.0000 0.0000 52136.0610 -109299.6157 299.6267 -161435.6767 -108941.4448 299.2802 -427.2092 -399.0617 762049.1953 16.4763 16.5450 PRESSURE: 1411400 -99.9468 -72.1645 105.459 -72.1655 -206.111 -36.3346 105.458 -36.3341 -99.181 GPRESSURE: 1411400 15.813 -69.2774 115.961 -60.3591 -167.063 -63.9823 87.0368 -0.222893 -168.511 PRESSAVG: 1411400 31.6021 -61.8347 25.3413 -61.8346 -18.1154 1.68052 25.3414 1.68058 3.43747 GPRESSAVG: 1411400 30.7808 -62.9679 24.6825 -60.982 -17.8218 2.1003 26.9851 2.26822 3.72868 TIMING: 1411400 CPU: 4408.28, 0.00316735/step Wall: 4408.28, 0.00316735/step, 3.15732 hours remaining, 235.023438 MB of memory in use. ENERGY: 1411400 3994.5721 20712.0991 14427.2678 249.9705 -203008.8383 2646.9027 0.0000 0.0000 51954.0488 -109023.9773 298.5806 -160978.0261 -108668.2850 299.3212 -135.0795 -106.5870 762758.5794 5.6414 5.5626 PRESSURE: 1411600 -127.51 17.9246 15.4549 17.9241 83.9416 -285.379 15.455 -285.379 -206.777 GPRESSURE: 1411600 -84.0676 92.673 -9.92956 23.131 95.2978 -190.252 84.6657 -239.976 -195.743 PRESSAVG: 1411600 7.1178 45.5597 16.8735 45.5597 -34.3661 -8.44728 16.8735 -8.44721 -10.4607 GPRESSAVG: 1411600 8.3118 46.3135 16.792 43.4356 -35.0145 -8.30304 15.9247 -10.938 -10.7383 TIMING: 1411600 CPU: 4408.91, 0.00315028/step Wall: 4408.91, 0.00315028/step, 3.14012 hours remaining, 235.023438 MB of memory in use. ENERGY: 1411600 4054.0033 20684.8982 14447.7466 251.6427 -203475.0526 2849.1606 0.0000 0.0000 52099.2846 -109088.3165 299.4153 -161187.6011 -108734.3062 299.5421 -83.4485 -61.5043 761432.5400 -12.5697 -12.4803 PRESSURE: 1411800 -214.391 84.731 5.3772 84.7304 -512.887 -58.0171 5.37773 -58.0183 -241.575 GPRESSURE: 1411800 -133.943 51.2172 -32.6881 112.22 -470.029 -136.363 72.6355 -73.5493 -265.995 PRESSAVG: 1411800 55.5988 38.8269 14.8854 38.8269 -3.51993 -28.6343 14.8855 -28.6343 -2.78991 GPRESSAVG: 1411800 55.2438 39.2754 15.0737 40.4961 -2.93536 -29.9623 13.7691 -27.2227 -2.86141 TIMING: 1411800 CPU: 4409.53, 0.00314343/step Wall: 4409.53, 0.00314343/step, 3.13312 hours remaining, 235.023438 MB of memory in use. ENERGY: 1411800 3964.0252 20450.2243 14438.5638 251.9560 -202395.2469 2112.8039 0.0000 0.0000 51889.9799 -109287.6938 298.2124 -161177.6737 -108901.7579 299.6190 -322.9507 -289.9889 763608.2725 16.4296 16.4823 PRESSURE: 1412000 -308.718 8.08137 149.085 8.08118 -435.297 30.0595 149.085 30.0589 -264.929 GPRESSURE: 1412000 -292.14 47.6206 131.855 38.5525 -353.486 -38.3204 -5.81636 150.016 -275.2 PRESSAVG: 1412000 3.00053 29.4799 34.685 29.4799 2.13189 -44.1072 34.6849 -44.1072 -12.0719 GPRESSAVG: 1412000 3.41659 28.671 33.6193 29.6494 -0.088149 -43.8493 35.345 -44.6852 -11.134 TIMING: 1412000 CPU: 4410.16, 0.00313682/step Wall: 4410.16, 0.00313682/step, 3.12636 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1412000 4040.3747 20527.9932 14394.8104 250.7247 -203004.7798 2301.6045 0.0000 0.0000 52351.1584 -109138.1140 300.8628 -161489.2724 -108777.7394 299.4572 -336.3146 -306.9419 762741.9702 -2.3132 -2.6019 PRESSURE: 1412200 -25.9242 6.35396 34.2721 6.3542 -225.397 107.093 34.2724 107.092 27.7823 GPRESSURE: 1412200 -95.6566 -20.7043 -81.7592 -152.364 -118.447 112.226 66.1403 105.078 103.128 PRESSAVG: 1412200 -32.6394 -60.9604 39.7076 -60.9605 -2.43194 -23.7231 39.7076 -23.7232 -6.03426 GPRESSAVG: 1412200 -33.6548 -60.1017 39.8361 -61.4585 -0.495797 -23.2953 40.2362 -22.9897 -6.85314 TIMING: 1412200 CPU: 4410.79, 0.00313463/step Wall: 4410.79, 0.00313463/step, 3.12401 hours remaining, 235.023438 MB of memory in use. ENERGY: 1412200 3917.9311 20605.0065 14411.4045 270.9557 -203552.9941 2888.2667 0.0000 0.0000 52236.8844 -109222.5453 300.2061 -161459.4297 -108857.5542 299.3307 -74.5129 -36.9918 762134.1989 -13.7019 -13.6679 LDB: ============= START OF LOAD BALANCING ============== 4423.27 LDB: ============== END OF LOAD BALANCING =============== 4423.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4423.27 LDB: ============= START OF LOAD BALANCING ============== 4423.59 LDB: Largest compute 7052 load 0.030438 is 15.6% of average load 0.195069 LDB: Average compute 0.004383 is 2.2% of average load 0.195069 LDB: TIME 4423.59 LOAD: AVG 0.195069 MAX 0.214026 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.594 MB LDB: TIME 4423.59 LOAD: AVG 0.195069 MAX 0.214026 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.594 MB LDB: TIME 4423.59 LOAD: AVG 0.195069 MAX 0.214026 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.594 MB LDB: ============== END OF LOAD BALANCING =============== 4423.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4423.6 PRESSURE: 1412400 162.579 176.14 60.2626 176.14 -207.819 -51.8395 60.263 -51.8402 110.441 GPRESSURE: 1412400 251.04 19.9421 33.117 210.656 -190.375 -52.9115 -8.01033 4.47352 59.6156 PRESSAVG: 1412400 87.8231 40.5109 45.4313 40.5109 -43.8339 10.0884 45.4313 10.0884 26.8364 GPRESSAVG: 1412400 88.9881 41.1152 43.7751 40.3769 -44.9576 10.0406 45.8929 10.8526 26.5666 TIMING: 1412400 CPU: 4411.43, 0.00320958/step Wall: 4411.43, 0.00320958/step, 3.19853 hours remaining, 233.742188 MB of memory in use. ENERGY: 1412400 3995.0446 20692.3353 14391.5365 249.5604 -203175.9309 2640.0216 0.0000 0.0000 51915.5270 -109291.9055 298.3592 -161207.4325 -108934.3847 299.2724 21.7335 40.0935 762252.2541 23.6085 23.5324 PRESSURE: 1412600 -53.4793 -93.1439 -149.39 -93.1442 -90.2639 98.2565 -149.391 98.2564 -163.153 GPRESSURE: 1412600 -155.141 -180.328 -104.402 -65.3035 -11.9464 87.8444 -76.8118 11.4707 -67.27 PRESSAVG: 1412600 33.6467 28.7838 39.2806 28.7838 15.3529 2.32795 39.2806 2.32799 26.354 GPRESSAVG: 1412600 32.3688 25.8397 41.3347 28.7801 16.0454 3.73569 38.3401 0.0514194 27.1737 TIMING: 1412600 CPU: 4412.06, 0.00312189/step Wall: 4412.06, 0.00312189/step, 3.11097 hours remaining, 233.742188 MB of memory in use. ENERGY: 1412600 3967.7959 20718.3951 14355.3183 232.8901 -203394.0306 2619.4526 0.0000 0.0000 52188.3897 -109311.7889 299.9274 -161500.1786 -108938.2167 299.2587 -102.2986 -78.1192 761343.6879 25.1179 25.1960 PRESSURE: 1412800 299.714 -42.7791 -15.4109 -42.7794 320.568 -271.518 -15.4109 -271.518 -32.3634 GPRESSURE: 1412800 383.926 -69.2632 78.3879 -56.7004 300.394 -244.846 108.158 -33.8439 -10.5162 PRESSAVG: 1412800 8.74291 -54.4168 -6.77225 -54.4168 1.7338 -36.8627 -6.77225 -36.8627 -19.4332 GPRESSAVG: 1412800 9.51937 -52.2523 -7.23279 -55.0837 1.38786 -36.5138 -5.21683 -35.5641 -19.7233 TIMING: 1412800 CPU: 4412.68, 0.00313029/step Wall: 4412.68, 0.00313029/step, 3.11916 hours remaining, 233.742188 MB of memory in use. ENERGY: 1412800 3951.6569 20556.6402 14365.3236 255.5857 -203487.8049 2828.7508 0.0000 0.0000 52044.8113 -109485.0362 299.1022 -161529.8476 -109120.8388 298.6291 195.9728 224.6012 761968.8134 -2.9855 -2.9387 PRESSURE: 1413000 194.019 -55.3725 207.39 -55.3734 -533.105 -136.906 207.391 -136.905 -467.708 GPRESSURE: 1413000 166.798 61.7252 254.935 67.7493 -409.623 -167.085 42.5992 -109.956 -466.843 PRESSAVG: 1413000 -38.5909 6.12012 33.5064 6.12015 7.75997 -41.9571 33.5063 -41.957 7.70238 GPRESSAVG: 1413000 -39.8462 4.53556 34.1999 6.87089 9.2841 -44.4343 31.959 -41.0975 7.32548 TIMING: 1413000 CPU: 4413.31, 0.00312648/step Wall: 4413.31, 0.00312648/step, 3.11519 hours remaining, 233.742188 MB of memory in use. ENERGY: 1413000 4096.2328 20562.6753 14392.3883 243.2039 -203312.7771 2863.3811 0.0000 0.0000 52047.1787 -109107.7170 299.1159 -161154.8957 -108757.4275 298.7651 -268.9317 -236.5557 763790.8980 -7.7095 -7.7455 PRESSURE: 1413200 -109.692 177.854 -16.6324 177.855 215.468 -123.853 -16.6336 -123.852 -130.173 GPRESSURE: 1413200 -67.4903 190.181 -42.0979 190.205 196.287 -121.726 36.4137 -170.879 -70.3178 PRESSAVG: 1413200 53.4321 42.6656 8.57867 42.6655 -51.8306 -36.897 8.57862 -36.897 -8.59421 GPRESSAVG: 1413200 53.0455 43.9367 8.86412 44.1927 -53.4412 -34.6667 9.00885 -38.8992 -7.39461 TIMING: 1413200 CPU: 4413.93, 0.00312288/step Wall: 4413.93, 0.00312288/step, 3.11143 hours remaining, 233.742188 MB of memory in use. ENERGY: 1413200 3989.8946 20515.2355 14363.1186 258.1398 -203245.3480 2785.5678 0.0000 0.0000 52211.2024 -109122.1893 300.0585 -161333.3917 -108754.6821 299.4767 -8.1322 19.4930 763933.9038 -2.3309 -2.5968 PRESSURE: 1413400 -351.099 78.7732 179.813 78.7742 -323.66 -372.642 179.813 -372.643 -358.194 GPRESSURE: 1413400 -270.92 -29.4635 194.061 18.7538 -330.176 -315.994 -44.6009 -257.454 -330.287 PRESSAVG: 1413400 11.3461 41.3293 -19.9509 41.3293 9.97025 -71.8809 -19.951 -71.8809 3.55808 GPRESSAVG: 1413400 12.677 42.2802 -20.2648 39.2255 10.3099 -72.0021 -20.4591 -70.3096 2.00708 TIMING: 1413400 CPU: 4414.56, 0.00313483/step Wall: 4414.56, 0.00313483/step, 3.12317 hours remaining, 233.742188 MB of memory in use. ENERGY: 1413400 4016.9040 20592.4516 14449.7208 229.6719 -202983.0404 2476.3489 0.0000 0.0000 52044.5207 -109173.4225 299.1006 -161217.9432 -108811.3088 299.1858 -344.3178 -310.4611 763143.5942 8.2915 8.3313 PRESSURE: 1413600 293.416 -63.9698 215.155 -63.9693 55.8309 64.3157 215.155 64.316 58.8936 GPRESSURE: 1413600 252.721 28.1428 162.493 -47.6445 102.073 -16.9703 283.77 116.77 148.402 PRESSAVG: 1413600 5.15389 48.9482 11.3481 48.9481 -7.6538 -16.6101 11.3482 -16.61 6.14993 GPRESSAVG: 1413600 3.89536 49.0928 9.73384 48.7938 -7.85214 -17.7107 12.5517 -17.2568 7.60275 TIMING: 1413600 CPU: 4415.19, 0.00313772/step Wall: 4415.19, 0.00313772/step, 3.12587 hours remaining, 233.742188 MB of memory in use. ENERGY: 1413600 3927.9587 20542.3492 14347.1196 237.3663 -203526.6518 3031.5403 0.0000 0.0000 52186.3711 -109253.9466 299.9158 -161440.3176 -108885.8722 299.0668 136.0469 167.7319 763615.2321 1.2167 1.2153 PRESSURE: 1413800 118.24 -18.7871 11.5272 -18.7882 -239.303 90.8789 11.5263 90.8782 -336.583 GPRESSURE: 1413800 193.699 -3.57802 -116.246 -43.4037 -155.539 116.903 96.4808 -15.9018 -411.713 PRESSAVG: 1413800 10.9173 24.2802 27.3262 24.2802 -10.6419 -2.20826 27.3262 -2.20826 0.602801 GPRESSAVG: 1413800 11.5164 22.6105 26.0867 26.4297 -10.2795 -0.772575 28.1788 -1.48934 0.107726 TIMING: 1413800 CPU: 4415.82, 0.0031606/step Wall: 4415.82, 0.0031606/step, 3.14848 hours remaining, 233.742188 MB of memory in use. ENERGY: 1413800 3990.0971 20568.3408 14361.2795 236.5462 -203260.6894 2651.4180 0.0000 0.0000 52241.1217 -109211.8862 300.2304 -161453.0078 -108846.8511 299.5175 -152.5486 -124.5178 762861.5831 0.2927 0.4482 PRESSURE: 1414000 -327.133 93.4752 -168.122 93.4741 -370.91 34.5907 -168.122 34.5914 -193.444 GPRESSURE: 1414000 -224.522 106.58 -228.835 59.4098 -399.354 78.6024 -16.7435 -56.4349 -160.76 PRESSAVG: 1414000 6.17695 25.446 2.85444 25.446 2.35873 -2.07812 2.85449 -2.07805 -13.6935 GPRESSAVG: 1414000 5.61106 27.7132 5.6914 24.1589 2.64536 -3.16609 1.50599 -2.80928 -13.2502 TIMING: 1414000 CPU: 4416.45, 0.0031565/step Wall: 4416.45, 0.0031565/step, 3.14423 hours remaining, 233.742188 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: 1414000 4036.2434 20548.6004 14466.5668 252.4490 -203084.8503 2458.4762 0.0000 0.0000 52094.7521 -109227.7624 299.3893 -161322.5145 -108870.5466 299.8136 -297.1625 -261.5453 763426.4707 -1.7193 -1.6646 PRESSURE: 1414200 -65.2635 177.282 -8.58638 177.282 -196.869 -202.585 -8.58612 -202.585 -238.456 GPRESSURE: 1414200 61.7159 93.1344 38.6993 74.7611 -239.763 -186.758 65.7457 -96.8011 -241.779 PRESSAVG: 1414200 29.4665 13.6891 -17.73 13.6891 -34.3587 -28.9414 -17.7301 -28.9413 -7.6778 GPRESSAVG: 1414200 29.3382 11.7924 -17.7955 12.3175 -34.9854 -29.0769 -17.2399 -27.0396 -7.46067 TIMING: 1414200 CPU: 4417.08, 0.00317228/step Wall: 4417.08, 0.00317228/step, 3.15976 hours remaining, 233.742188 MB of memory in use. ENERGY: 1414200 4076.0249 20706.5276 14443.1807 246.8867 -202670.5592 2189.3730 0.0000 0.0000 51981.6311 -109026.9352 298.7391 -161008.5663 -108671.5067 299.9976 -166.8629 -139.9421 762376.8807 -4.1900 -4.3693 PRESSURE: 1414400 -233.797 40.701 29.716 40.7005 -38.6077 -261.485 29.7153 -261.485 -338.926 GPRESSURE: 1414400 -287.41 96.1027 83.6501 -100.291 68.5429 -280.588 -69.0615 -178.133 -298.525 PRESSAVG: 1414400 -12.346 -37.6019 -22.169 -37.6018 26.8217 26.4306 -22.169 26.4306 11.063 GPRESSAVG: 1414400 -12.0946 -37.4896 -21.8244 -39.0368 26.8936 26.025 -22.8353 26.7259 11.2626 TIMING: 1414400 CPU: 4417.72, 0.00317323/step Wall: 4417.72, 0.00317323/step, 3.16054 hours remaining, 233.742188 MB of memory in use. ENERGY: 1414400 4007.4942 20561.6189 14389.2563 257.8947 -203374.1990 2844.4721 0.0000 0.0000 52248.7968 -109064.6661 300.2746 -161313.4629 -108701.7550 300.1103 -203.7767 -172.4638 763843.5002 8.5129 8.6872 PRESSURE: 1414600 -18.2374 227.854 -68.9965 227.854 -146.677 97.1132 -68.9967 97.1134 -664.1 GPRESSURE: 1414600 -71.7577 232.922 20.7436 223.65 -58.5074 76.5694 -94.528 16.3479 -632.816 PRESSAVG: 1414600 -0.672421 -23.0734 -19.657 -23.0735 -2.46484 1.28072 -19.657 1.28075 -9.60773 GPRESSAVG: 1414600 -0.263822 -24.3606 -20.5383 -21.0192 -1.57166 2.12508 -21.5143 -2.98755 -10.739 TIMING: 1414600 CPU: 4418.35, 0.00314586/step Wall: 4418.35, 0.00314586/step, 3.13311 hours remaining, 233.742188 MB of memory in use. ENERGY: 1414600 4065.1081 20626.4859 14373.5037 269.5648 -203313.5812 2712.7891 0.0000 0.0000 52033.4092 -109232.7204 299.0367 -161266.1296 -108864.9570 299.3798 -276.3380 -254.3605 762332.1352 -4.2483 -4.1915 PRESSURE: 1414800 -317.224 190.495 192.306 190.496 -179.985 -49.5945 192.306 -49.5935 -189.595 GPRESSURE: 1414800 -308.948 79.5427 154.182 81.7931 -160.716 -12.3801 320.046 -150.224 -140.657 PRESSAVG: 1414800 -32.9939 8.65831 -57.4874 8.65835 14.1137 41.197 -57.4874 41.1971 12.0244 GPRESSAVG: 1414800 -33.5647 8.03544 -57.8324 8.43364 14.0617 40.8049 -54.643 44.0647 12.7568 TIMING: 1414800 CPU: 4418.97, 0.00313197/step Wall: 4418.97, 0.00313197/step, 3.11909 hours remaining, 233.742188 MB of memory in use. ENERGY: 1414800 3971.5856 20395.4484 14470.9165 240.6032 -203140.4008 2667.5461 0.0000 0.0000 52073.5070 -109320.7940 299.2672 -161394.3011 -108950.2084 299.1210 -228.9348 -203.4402 763288.9464 -2.2853 -2.2488 PRESSURE: 1415000 10.9446 -204.77 -116.371 -204.77 -0.673895 249.909 -116.37 249.91 8.02199 GPRESSURE: 1415000 -16.0833 -178.44 -133.924 -125.44 73.271 182.706 -149.508 281.829 46.3534 PRESSAVG: 1415000 13.3694 -6.27282 48.7993 -6.2729 -11.1932 -36.9315 48.7993 -36.9315 0.158169 GPRESSAVG: 1415000 14.152 -5.75799 51.2996 -5.54179 -10.649 -36.1867 45.7837 -36.1199 -0.436702 TIMING: 1415000 CPU: 4419.6, 0.00312905/step Wall: 4419.6, 0.00312905/step, 3.11602 hours remaining, 233.742188 MB of memory in use. ENERGY: 1415000 4087.9166 20287.4824 14482.2952 235.1960 -203565.0749 3003.1825 0.0000 0.0000 52170.1061 -109298.8961 299.8223 -161469.0021 -108934.1610 299.1770 6.0976 34.5137 761816.2686 0.7781 1.0221 PRESSURE: 1415200 115.22 -287.121 113.321 -287.121 292.955 -14.7642 113.321 -14.7645 203.751 GPRESSURE: 1415200 135.289 -223.235 34.7921 -254.34 349.979 21.1408 61.4119 -93.1931 217.982 PRESSAVG: 1415200 -50.0623 -11.0899 -11.8688 -11.0899 50.8195 47.1036 -11.8688 47.1036 -9.99666 GPRESSAVG: 1415200 -50.7106 -11.9996 -12.0919 -12.0107 50.0701 47.275 -11.4342 42.6891 -8.61096 TIMING: 1415200 CPU: 4420.23, 0.0031437/step Wall: 4420.23, 0.0031437/step, 3.13043 hours remaining, 233.742188 MB of memory in use. ENERGY: 1415200 4003.4948 20448.3215 14377.1575 243.0125 -203297.7227 2865.4454 0.0000 0.0000 52278.5460 -109081.7449 300.4455 -161360.2909 -108721.2321 299.5166 203.9755 234.4168 762214.0870 -3.0798 -3.0838 PRESSURE: 1415400 -359.035 29.5742 -130.015 29.5736 -315.85 217.421 -130.016 217.42 159.062 GPRESSURE: 1415400 -373.481 70.3526 -163.286 -78.7998 -175.552 223.147 -107.801 182.576 123.19 PRESSAVG: 1415400 14.7008 -21.7431 -4.03614 -21.7431 -26.8488 22.2023 -4.03615 22.2023 0.0648849 GPRESSAVG: 1415400 15.4537 -20.0778 -3.45432 -21.8114 -25.8424 22.8099 -4.13987 24.5561 -1.94041 TIMING: 1415400 CPU: 4420.86, 0.00316255/step Wall: 4420.86, 0.00316255/step, 3.14903 hours remaining, 233.742188 MB of memory in use. ENERGY: 1415400 4040.4244 20602.3592 14447.9077 248.6653 -202767.0698 2549.1203 0.0000 0.0000 51897.9180 -108980.6750 298.2580 -160878.5930 -108626.0854 299.8105 -171.9410 -141.9478 763812.7506 -4.0277 -4.1097 PRESSURE: 1415600 224.948 -93.1765 -6.37623 -93.1764 229.367 -151.566 -6.37624 -151.566 103.638 GPRESSURE: 1415600 229.285 -129.031 -32.5477 -133.523 245.457 -190.036 100.703 -103.375 133.91 PRESSAVG: 1415600 77.3273 -48.8053 -46.0251 -48.8053 -56.3426 -43.5704 -46.0251 -43.5705 -4.70278 GPRESSAVG: 1415600 76.5915 -50.1949 -45.7875 -46.813 -56.9714 -43.9339 -46.0846 -42.4823 -3.76119 TIMING: 1415600 CPU: 4421.49, 0.00313559/step Wall: 4421.49, 0.00313559/step, 3.122 hours remaining, 233.742188 MB of memory in use. ENERGY: 1415600 3985.6879 20597.5284 14382.2525 243.1943 -203116.1429 2587.1637 0.0000 0.0000 52349.8452 -108970.4710 300.8553 -161320.3161 -108608.2435 299.5335 185.9845 202.8840 763322.3476 5.4273 5.2863 PRESSURE: 1415800 18.922 306.438 156.334 306.437 -81.1472 177.442 156.334 177.443 22.0931 GPRESSURE: 1415800 46.5133 456.595 172.053 249.559 -69.6526 97.8389 154.371 -6.60242 70.4578 PRESSAVG: 1415800 7.0272 12.1262 32.0614 12.1262 2.55769 -11.6052 32.0614 -11.6051 -3.50274 GPRESSAVG: 1415800 7.44147 11.9513 31.6863 10.25 2.69729 -11.4228 31.4904 -13.5359 -3.81026 TIMING: 1415800 CPU: 4422.11, 0.00313559/step Wall: 4422.11, 0.00313559/step, 3.12183 hours remaining, 233.742188 MB of memory in use. ENERGY: 1415800 4018.2277 20520.8166 14398.8552 250.5236 -202876.6907 2602.3106 0.0000 0.0000 52437.8152 -108648.1418 301.3608 -161085.9570 -108289.4939 299.9776 -13.3774 15.7728 761935.8465 2.0274 2.1095 PRESSURE: 1416000 -190.458 14.8579 -37.832 14.8581 -76.6035 57.3657 -37.8322 57.3664 133.297 GPRESSURE: 1416000 -204.53 142.245 -9.86421 -9.40313 -11.9121 178.737 -135.743 140.734 139.458 PRESSAVG: 1416000 63.2933 21.5585 -7.92542 21.5585 -50.2585 40.0207 -7.92534 40.0207 3.24856 GPRESSAVG: 1416000 64.3159 24.6392 -7.28036 22.3628 -50.5068 39.5982 -8.30996 39.7298 1.70752 TIMING: 1416000 CPU: 4422.74, 0.00313156/step Wall: 4422.74, 0.00313156/step, 3.11764 hours remaining, 233.742188 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: 1416000 3967.4283 20500.0076 14389.2434 240.8801 -202739.6830 2523.1893 0.0000 0.0000 52301.3877 -108817.5465 300.5768 -161118.9342 -108446.6164 300.5490 -44.5880 -25.6614 763464.2169 5.4278 5.1722 PRESSURE: 1416200 -57.6947 49.1719 105.202 49.1727 -27.3955 -63.651 105.201 -63.65 -222.973 GPRESSURE: 1416200 -18.3534 6.47488 167.39 85.2932 8.7384 -20.8506 160.322 -64.0557 -215.79 PRESSAVG: 1416200 44.2772 61.1226 -10.3255 61.1226 -29.1216 -7.22409 -10.3254 -7.22401 -6.13652 GPRESSAVG: 1416200 44.2265 59.5378 -12.1867 60.414 -29.8173 -8.10144 -9.02979 -6.15344 -5.19192 TIMING: 1416200 CPU: 4423.37, 0.00314303/step Wall: 4423.37, 0.00314303/step, 3.12889 hours remaining, 233.742188 MB of memory in use. ENERGY: 1416200 3979.4679 20456.8136 14453.2965 233.7996 -202600.6767 2421.9764 0.0000 0.0000 52053.1738 -109002.1487 299.1503 -161055.3226 -108629.2087 299.4956 -102.6876 -75.1349 763408.9870 3.0064 3.0724 LDB: ============= START OF LOAD BALANCING ============== 4435.85 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4435.85 LDB: =============== DONE WITH MIGRATION ================ 4435.85 LDB: ============= START OF LOAD BALANCING ============== 4436.17 LDB: Largest compute 7052 load 0.030841 is 15.8% of average load 0.195090 LDB: Average compute 0.004383 is 2.2% of average load 0.195090 LDB: TIME 4436.17 LOAD: AVG 0.19509 MAX 0.216692 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 4436.17 LOAD: AVG 0.19509 MAX 0.216692 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.258 MB LDB: TIME 4436.17 LOAD: AVG 0.19509 MAX 0.216692 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.258 MB LDB: ============== END OF LOAD BALANCING =============== 4436.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4436.18 PRESSURE: 1416400 -10.4753 72.3168 -55.8199 72.3171 65.3045 140.065 -55.82 140.065 131.174 GPRESSURE: 1416400 -53.9186 132.677 -60.3582 156.158 140.772 181.269 -42.5362 124.943 179.754 PRESSAVG: 1416400 14.2383 -16.4425 12.5821 -16.4425 7.00111 40.8747 12.5822 40.8748 -6.50658 GPRESSAVG: 1416400 14.2307 -17.6467 12.6648 -14.4045 6.3755 42.5529 12.8179 39.9521 -6.03264 TIMING: 1416400 CPU: 4424.01, 0.00321207/step Wall: 4424.01, 0.00321207/step, 3.19744 hours remaining, 234.511719 MB of memory in use. ENERGY: 1416400 4049.1591 20458.8940 14382.0155 236.9942 -203440.8452 3058.6413 0.0000 0.0000 52202.2527 -109052.8884 300.0071 -161255.1411 -108692.6677 299.9735 62.0010 88.8693 762053.4805 4.9109 4.8579 PRESSURE: 1416600 114.754 -25.0464 196.726 -25.0455 -42.6426 -147.65 196.726 -147.649 -357.107 GPRESSURE: 1416600 101.723 -79.0821 172.308 28.0482 -16.7793 -162.086 147.144 -94.0353 -270.892 PRESSAVG: 1416600 33.3569 1.01993 23.2446 1.02003 -69.4313 -48.0625 23.2446 -48.0624 -26.1573 GPRESSAVG: 1416600 32.4951 1.20704 22.4222 -1.43033 -67.9805 -49.6722 22.4184 -47.0868 -26.4789 TIMING: 1416600 CPU: 4424.64, 0.00314985/step Wall: 4424.64, 0.00314985/step, 3.13533 hours remaining, 234.714844 MB of memory in use. ENERGY: 1416600 4095.8033 20439.9278 14389.1599 235.8950 -203063.7465 2719.2347 0.0000 0.0000 52109.1187 -109074.6072 299.4718 -161183.7259 -108720.3411 299.5152 -94.9985 -61.9825 762897.1614 -20.7439 -20.6548 PRESSURE: 1416800 -360.477 6.07846 -123.607 6.0783 -242.029 -212.57 -123.607 -212.571 -214.783 GPRESSURE: 1416800 -300.27 -24.4993 -108.502 -0.194601 -245.979 -221.875 -81.1115 -217.417 -200.025 PRESSAVG: 1416800 37.5444 19.0828 -64.664 19.0828 -0.563932 4.69343 -64.664 4.69337 11.1233 GPRESSAVG: 1416800 38.8874 20.5564 -63.9899 18.8807 -2.40291 4.34898 -63.4694 5.74372 11.2239 TIMING: 1416800 CPU: 4425.27, 0.00313269/step Wall: 4425.27, 0.00313269/step, 3.11807 hours remaining, 234.714844 MB of memory in use. ENERGY: 1416800 3981.2891 20479.3048 14423.4839 247.7514 -202928.8142 2468.5403 0.0000 0.0000 52230.5999 -109097.8447 300.1700 -161328.4446 -108737.9320 299.5666 -272.4296 -248.7579 764296.9193 16.0346 15.9028 PRESSURE: 1417000 -132.221 86.9328 82.3183 86.933 106.576 161.95 82.3188 161.95 -163.059 GPRESSURE: 1417000 -278.881 88.0343 9.77734 93.4051 179.804 228.473 73.2554 125.703 0.0701966 PRESSAVG: 1417000 2.85256 72.1098 -30.31 72.1097 14.9143 -60.1422 -30.3099 -60.1421 24.1125 GPRESSAVG: 1417000 1.34476 72.2605 -31.6648 73.6937 14.9192 -59.0998 -29.5347 -62.2203 25.8373 TIMING: 1417000 CPU: 4425.9, 0.00313572/step Wall: 4425.9, 0.00313572/step, 3.12092 hours remaining, 234.714844 MB of memory in use. ENERGY: 1417000 3959.9855 20493.5838 14356.7768 253.8262 -203128.4414 2668.7578 0.0000 0.0000 52286.7303 -109108.7810 300.4926 -161395.5113 -108745.5430 299.6435 -62.9013 -33.0023 764521.9787 13.9598 14.0337 PRESSURE: 1417200 -61.3412 42.3505 85.9002 42.3508 -26.7571 136.859 85.9008 136.859 -79.3293 GPRESSURE: 1417200 -56.3948 159.206 121.649 104.405 83.5264 139.35 -22.9885 377.709 -115.45 PRESSAVG: 1417200 -27.9178 45.6306 -49.8821 45.6306 68.8403 1.39104 -49.8821 1.39101 -16.2056 GPRESSAVG: 1417200 -27.3646 44.0078 -48.1241 44.2626 69.6025 2.49366 -53.1976 3.3334 -17.4487 TIMING: 1417200 CPU: 4426.53, 0.00315605/step Wall: 4426.53, 0.00315605/step, 3.14098 hours remaining, 234.714844 MB of memory in use. ENERGY: 1417200 3999.9383 20408.9008 14453.9581 260.0466 -202938.8765 2732.7710 0.0000 0.0000 52042.4564 -109040.8054 299.0887 -161083.2618 -108687.4405 299.3271 -55.8092 -29.4396 766343.0913 8.2390 8.2630 PRESSURE: 1417400 -228.489 -47.3803 -62.164 -47.38 -111.31 -135.428 -62.1649 -135.427 -230.91 GPRESSURE: 1417400 -269.731 21.5645 -2.8864 21.7496 -39.0253 -120.833 22.4247 -122.24 -182.561 PRESSAVG: 1417400 9.35068 60.0123 -36.1372 60.0123 -28.7375 -0.498031 -36.1373 -0.497937 -19.1308 GPRESSAVG: 1417400 9.85039 59.165 -37.476 62.4325 -29.6091 -1.51138 -32.937 -3.14424 -18.5427 TIMING: 1417400 CPU: 4427.16, 0.00315098/step Wall: 4427.16, 0.00315098/step, 3.13575 hours remaining, 234.714844 MB of memory in use. ENERGY: 1417400 3988.1991 20532.9537 14415.4282 282.9692 -203055.7112 2690.1782 0.0000 0.0000 52341.7188 -108804.2640 300.8086 -161145.9828 -108435.9114 299.8272 -190.2365 -163.7724 765318.5118 -12.8392 -12.7671 PRESSURE: 1417600 77.8683 23.3495 -84.2355 23.35 -184.026 26.5557 -84.2358 26.5553 -92.3409 GPRESSURE: 1417600 84.9559 58.675 -73.1459 -29.7438 -173.133 44.4274 -164.799 23.6345 -36.8804 PRESSAVG: 1417600 14.3372 -11.1851 -35.9098 -11.1852 0.143701 43.4492 -35.9098 43.4493 26.8264 GPRESSAVG: 1417600 14.8862 -8.72156 -33.9255 -13.0964 0.192362 44.071 -37.328 44.0686 26.2969 TIMING: 1417600 CPU: 4427.78, 0.00313229/step Wall: 4427.78, 0.00313229/step, 3.11698 hours remaining, 234.714844 MB of memory in use. ENERGY: 1417600 3920.7456 20718.1083 14513.1432 233.5884 -202974.8548 2758.6068 0.0000 0.0000 51955.3396 -108875.3229 298.5881 -160830.6625 -108511.7351 300.3065 -66.1663 -41.6859 765597.9207 13.7691 13.7918 PRESSURE: 1417800 34.2187 74.753 -255.093 74.7526 245.931 176.124 -255.094 176.124 -2.90767 GPRESSURE: 1417800 37.2244 57.1522 -295.361 154.788 179.388 161.357 -203.742 208.158 131.854 PRESSAVG: 1417800 -34.6174 -10.5481 -34.0858 -10.5481 63.6217 -18.6242 -34.0857 -18.6243 -3.61457 GPRESSAVG: 1417800 -35.337 -13.5714 -35.778 -11.1714 63.712 -19.3362 -33.2781 -15.111 -3.54511 TIMING: 1417800 CPU: 4428.41, 0.00313861/step Wall: 4428.41, 0.00313861/step, 3.12309 hours remaining, 234.714844 MB of memory in use. ENERGY: 1417800 3935.5635 20479.6239 14358.9333 254.0466 -203262.2315 3026.8252 0.0000 0.0000 52191.7923 -109015.4469 299.9469 -161207.2391 -108638.1935 299.6816 92.4140 116.1554 764536.1564 8.4632 8.2766 PRESSURE: 1418000 -29.3555 28.5999 -83.9754 28.6 -150.965 52.5472 -83.9755 52.5464 -453.891 GPRESSURE: 1418000 21.2276 26.0776 -19.2809 49.083 -114.906 49.7378 -9.57881 53.9715 -448.643 PRESSAVG: 1418000 3.03749 13.3992 -26.0471 13.3992 -5.61893 -37.3843 -26.0471 -37.3843 -7.66568 GPRESSAVG: 1418000 2.13891 14.6111 -25.6058 14.7425 -5.08444 -37.1676 -25.3726 -40.1155 -7.84462 TIMING: 1418000 CPU: 4429.04, 0.00313961/step Wall: 4429.04, 0.00313961/step, 3.12392 hours remaining, 234.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1418000 4043.9922 20439.2817 14380.0457 237.8205 -203252.0555 2879.0750 0.0000 0.0000 52199.6109 -109072.2295 299.9919 -161271.8404 -108713.3645 299.3888 -211.4038 -180.7736 764681.4391 -3.4157 -3.5967 PRESSURE: 1418200 53.7465 66.1433 211.037 66.1428 174.712 280.225 211.036 280.224 91.6133 GPRESSURE: 1418200 74.717 -0.734594 296.725 104.048 260.117 259.781 132.123 260.139 31.0144 PRESSAVG: 1418200 -1.80545 19.9974 -48.7559 19.9974 26.9904 -19.0134 -48.7559 -19.0134 3.61218 GPRESSAVG: 1418200 -2.00224 18.9727 -48.3823 21.3944 26.5037 -18.5982 -49.5391 -19.2991 3.96789 TIMING: 1418200 CPU: 4429.67, 0.00313371/step Wall: 4429.67, 0.00313371/step, 3.11787 hours remaining, 234.714844 MB of memory in use. ENERGY: 1418200 4000.0039 20464.9378 14448.2211 249.4446 -203476.3704 2990.6506 0.0000 0.0000 52012.7530 -109310.3594 298.9180 -161323.1124 -108954.7711 299.0588 106.6907 121.9494 763637.0989 9.5990 9.4898 PRESSURE: 1418400 -359.321 29.8139 106.672 29.814 -299.119 -272.765 106.672 -272.766 -249.21 GPRESSURE: 1418400 -302.426 -11.427 127.797 -38.5142 -303.732 -230.706 198.513 -254.145 -215.194 PRESSAVG: 1418400 12.5248 11.2542 -25.7823 11.2542 27.9922 -26.8362 -25.7824 -26.8363 13.2867 GPRESSAVG: 1418400 11.5575 12.9215 -26.8505 8.60223 28.8858 -27.8719 -24.7116 -27.0553 13.1697 TIMING: 1418400 CPU: 4430.29, 0.00312931/step Wall: 4430.29, 0.00312931/step, 3.11332 hours remaining, 234.714844 MB of memory in use. ENERGY: 1418400 4041.5099 20366.7917 14357.7877 253.4230 -203249.1459 2805.9845 0.0000 0.0000 52208.7627 -109214.8864 300.0445 -161423.6492 -108855.9966 298.6710 -302.5500 -273.7840 762477.8482 17.9346 17.8710 PRESSURE: 1418600 -189.689 -9.41963 -322.713 -9.41987 229.678 -399.428 -322.713 -399.427 -134.039 GPRESSURE: 1418600 -62.3717 42.7811 -321.131 -42.4757 235.355 -325.985 -293.62 -404.011 -150.027 PRESSAVG: 1418600 16.3761 -7.92367 -36.7464 -7.92372 -15.8652 -68.0565 -36.7464 -68.0565 -22.0285 GPRESSAVG: 1418600 17.4551 -8.81563 -37.8896 -7.8325 -16.1771 -67.4281 -38.5259 -66.8661 -23.109 TIMING: 1418600 CPU: 4430.92, 0.00312539/step Wall: 4430.92, 0.00312539/step, 3.10924 hours remaining, 234.714844 MB of memory in use. ENERGY: 1418600 3935.1479 20650.0860 14383.8454 266.4290 -202914.6217 2504.6221 0.0000 0.0000 52024.9595 -109149.5319 298.9882 -161174.4913 -108784.7232 299.2166 -31.3501 7.6522 763695.1932 -7.1726 -7.2770 PRESSURE: 1418800 -225.119 -135.16 -6.83965 -135.161 -151.137 -63.2742 -6.83924 -63.2742 -212.78 GPRESSURE: 1418800 -222.426 -164.762 -89.1049 -134.344 -51.1061 -75.1348 -25.7216 -93.1 -246.645 PRESSAVG: 1418800 -16.4839 4.84383 -43.8452 4.84381 58.8781 11.4615 -43.8453 11.4615 18.3445 GPRESSAVG: 1418800 -16.0045 4.37516 -41.4129 4.35045 58.5534 12.1351 -44.5167 12.1057 18.1168 TIMING: 1418800 CPU: 4431.54, 0.0031202/step Wall: 4431.54, 0.0031202/step, 3.1039 hours remaining, 234.714844 MB of memory in use. ENERGY: 1418800 4052.0898 20675.4043 14394.4338 248.3440 -203056.4462 2572.1459 0.0000 0.0000 52014.9797 -109099.0487 298.9308 -161114.0285 -108744.9197 299.4469 -196.3457 -173.3922 764364.5099 20.2462 20.2219 PRESSURE: 1419000 -318.387 -7.14096 -43.9215 -7.14096 -335.997 -120.085 -43.9211 -120.085 149.076 GPRESSURE: 1419000 -278.529 42.638 -23.9843 75.5853 -323.228 -102.351 -3.37886 -168.413 164.183 PRESSAVG: 1419000 6.54637 -19.6869 -11.6371 -19.6869 -34.7995 -46.2117 -11.6371 -46.2116 -17.6748 GPRESSAVG: 1419000 5.16366 -19.4751 -13.3478 -17.3823 -34.5865 -47.2427 -12.2649 -48.5611 -16.6383 TIMING: 1419000 CPU: 4432.17, 0.00312225/step Wall: 4432.17, 0.00312225/step, 3.10577 hours remaining, 234.714844 MB of memory in use. ENERGY: 1419000 3989.8560 20590.2751 14483.2063 243.4880 -203115.0758 2599.4360 0.0000 0.0000 52093.8096 -109115.0047 299.3838 -161208.8143 -108752.0158 299.6233 -168.4361 -145.8580 764001.2568 -15.3093 -15.3537 PRESSURE: 1419200 401.804 -75.6705 -110.448 -75.6705 67.7717 8.38366e-05 -110.448 0.000500592 114.569 GPRESSURE: 1419200 415.632 -68.1655 -7.0739 10.0378 87.4697 -4.89813 6.37688 -131.838 146.27 PRESSAVG: 1419200 47.6078 37.7268 11.2891 37.7268 -0.966941 -44.3914 11.2891 -44.3913 9.94553 GPRESSAVG: 1419200 49.3584 37.9685 13.0849 35.1116 -1.85922 -43.8023 13.1575 -43.7647 9.83821 TIMING: 1419200 CPU: 4432.79, 0.00312178/step Wall: 4432.79, 0.00312178/step, 3.10513 hours remaining, 234.714844 MB of memory in use. ENERGY: 1419200 4001.8366 20759.0363 14476.8035 236.8334 -203466.9150 3008.2372 0.0000 0.0000 52114.0566 -108870.1114 299.5002 -160984.1680 -108508.8592 299.5576 194.7149 216.4574 762113.1416 18.8621 19.1125 PRESSURE: 1419400 -256.976 -115.161 -24.3142 -115.161 109.215 55.9928 -24.3139 55.992 -274.292 GPRESSURE: 1419400 -206.362 -99.9095 -36.8984 -21.4162 83.811 -4.6083 -14.2012 -31.8776 -251.773 PRESSAVG: 1419400 30.0798 -25.8497 44.8299 -25.8497 -13.8152 -40.7367 44.8299 -40.7367 6.49599 GPRESSAVG: 1419400 29.2423 -24.4588 45.0022 -25.3547 -12.9935 -41.0266 45.5843 -39.3567 5.98062 TIMING: 1419400 CPU: 4433.42, 0.00313552/step Wall: 4433.42, 0.00313552/step, 3.11862 hours remaining, 234.714844 MB of memory in use. ENERGY: 1419400 4047.1702 20633.6511 14334.9416 250.1395 -203319.4266 2803.9445 0.0000 0.0000 52224.3889 -109025.1909 300.1343 -161249.5798 -108660.6487 300.0802 -140.6844 -124.7746 763870.6059 7.5868 7.4098 PRESSURE: 1419600 -158.24 89.2729 -116.724 89.2725 -157.998 89.6336 -116.724 89.6342 115.695 GPRESSURE: 1419600 -69.8841 -96.2878 -65.9149 143.618 -97.0008 65.0012 39.6979 -14.8713 67.0691 PRESSAVG: 1419600 7.22602 -19.0006 -3.34801 -19.0006 12.5463 43.8948 -3.34802 43.8948 12.3096 GPRESSAVG: 1419600 7.43192 -18.958 -4.23297 -16.653 11.494 42.4295 -3.2511 43.3148 13.3073 TIMING: 1419600 CPU: 4434.04, 0.0031361/step Wall: 4434.04, 0.0031361/step, 3.11903 hours remaining, 234.714844 MB of memory in use. ENERGY: 1419600 3966.2368 20627.0679 14464.9255 259.1649 -203075.2044 2549.2866 0.0000 0.0000 51935.4008 -109273.1219 298.4735 -161208.5227 -108906.6040 299.8784 -66.8478 -33.2720 762664.2451 10.6940 10.7444 PRESSURE: 1419800 -238.935 91.4763 -303.243 91.4757 119.92 -57.2731 -303.242 -57.2727 -130.332 GPRESSURE: 1419800 -127.868 46.893 -281.811 44.5845 67.5684 -121.859 -300.048 -39.4257 -95.1922 PRESSAVG: 1419800 42.4387 23.5614 -8.42063 23.5613 -36.6173 32.9759 -8.42066 32.9758 11.0063 GPRESSAVG: 1419800 42.288 22.3904 -9.2084 22.7716 -36.5795 32.7081 -8.73245 34.2171 10.773 TIMING: 1419800 CPU: 4434.67, 0.00314047/step Wall: 4434.67, 0.00314047/step, 3.1232 hours remaining, 234.714844 MB of memory in use. ENERGY: 1419800 3898.9793 20604.9648 14390.6810 240.9004 -203417.8812 2490.6125 0.0000 0.0000 52399.8522 -109391.8909 301.1427 -161791.7431 -109025.8054 299.5989 -83.1154 -51.8304 761341.0076 5.6093 5.4939 PRESSURE: 1420000 -38.7462 88.2827 58.9911 88.2836 -257.928 137.655 58.9911 137.655 133.041 GPRESSURE: 1420000 27.2936 100.739 32.0185 72.0378 -256.247 162.342 -24.8507 204.762 155.934 PRESSAVG: 1420000 -4.60231 -20.7494 -26.7241 -20.7494 -21.9582 21.7504 -26.7241 21.7504 4.39194 GPRESSAVG: 1420000 -5.22476 -22.0279 -24.726 -19.7283 -20.4415 24.6071 -29.7151 21.5954 4.19034 TIMING: 1420000 CPU: 4435.3, 0.00312597/step Wall: 4435.3, 0.00312597/step, 3.10861 hours remaining, 234.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1420000 3933.3396 20515.2622 14330.3310 227.9791 -203479.5863 2898.4685 0.0000 0.0000 52090.9768 -109483.2292 299.3676 -161574.2060 -109122.0151 299.1509 -54.5444 -24.3397 762423.0630 -7.3895 -7.1586 PRESSURE: 1420200 -267.149 -51.5407 -183.221 -51.5413 -78.3925 -418.754 -183.221 -418.752 -231.128 GPRESSURE: 1420200 -229.286 -106.932 -111.475 34.34 -108.925 -437.54 -205.487 -327.288 -193.836 PRESSAVG: 1420200 8.38815 42.297 -61.8157 42.297 -65.0985 22.5707 -61.8157 22.5707 11.2674 GPRESSAVG: 1420200 8.57605 44.2464 -62.6852 38.9056 -66.8868 21.1719 -60.371 22.657 12.2453 TIMING: 1420200 CPU: 4435.93, 0.0031391/step Wall: 4435.93, 0.0031391/step, 3.12148 hours remaining, 234.714844 MB of memory in use. ENERGY: 1420200 3970.0018 20596.0434 14408.5381 234.8692 -203253.6447 2569.8262 0.0000 0.0000 52118.1530 -109356.2129 299.5237 -161474.3659 -108995.8984 298.8800 -192.2232 -177.3489 761097.6155 -15.1476 -15.3552 LDB: ============= START OF LOAD BALANCING ============== 4448.41 LDB: ============== END OF LOAD BALANCING =============== 4448.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4448.41 LDB: ============= START OF LOAD BALANCING ============== 4448.72 LDB: Largest compute 7052 load 0.031714 is 16.3% of average load 0.195084 LDB: Average compute 0.004373 is 2.2% of average load 0.195084 LDB: TIME 4448.72 LOAD: AVG 0.195084 MAX 0.216917 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 4448.73 LOAD: AVG 0.195084 MAX 0.216917 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.457 MB LDB: TIME 4448.73 LOAD: AVG 0.195084 MAX 0.216917 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.457 MB LDB: ============== END OF LOAD BALANCING =============== 4448.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4448.73 PRESSURE: 1420400 8.03263 31.8332 120.516 31.8339 -160.133 277.304 120.517 277.303 377.866 GPRESSURE: 1420400 52.453 14.6416 129.3 75.1036 -77.3694 254.556 207.603 218.317 362.067 PRESSAVG: 1420400 38.2337 27.4255 -48.8941 27.4255 -21.282 -34.2932 -48.8942 -34.2932 8.02673 GPRESSAVG: 1420400 38.586 28.38 -50.4829 28.6106 -20.0682 -34.8713 -46.3692 -33.9708 6.79068 TIMING: 1420400 CPU: 4436.57, 0.00320327/step Wall: 4436.57, 0.00320327/step, 3.18512 hours remaining, 235.023438 MB of memory in use. ENERGY: 1420400 3987.7664 20511.8059 14488.0337 228.8923 -202793.0981 2452.2272 0.0000 0.0000 51886.1966 -109238.1761 298.1907 -161124.3726 -108875.0794 299.0174 75.2552 112.3836 761343.3813 8.3262 8.4362 PRESSURE: 1420600 134.021 114.984 138.628 114.983 -186.493 -45.1592 138.627 -45.1603 -41.2905 GPRESSURE: 1420600 116.376 -31.1555 41.0239 -13.7605 -61.14 -13.2609 230.199 -120.145 -31.9008 PRESSAVG: 1420600 -16.6645 19.1959 11.3941 19.1959 -25.5623 43.3245 11.394 43.3245 -2.68138 GPRESSAVG: 1420600 -17.3763 17.5312 12.5591 18.4959 -25.7484 42.6454 8.75783 43.4775 -1.85845 TIMING: 1420600 CPU: 4437.19, 0.0031427/step Wall: 4437.19, 0.0031427/step, 3.12471 hours remaining, 235.226562 MB of memory in use. ENERGY: 1420600 3971.9748 20484.7770 14373.0216 229.3633 -202663.2097 2505.8844 0.0000 0.0000 51786.4436 -109311.7451 297.6174 -161098.1886 -108946.4036 298.8270 -31.2542 7.7785 762404.6963 -14.9694 -14.9944 PRESSURE: 1420800 -299.83 -274.104 -172.253 -274.105 -270.141 167.99 -172.253 167.99 -98.6541 GPRESSURE: 1420800 -404.993 -299.466 -77.4945 -340.429 -76.4375 260.586 -106.318 125.273 -119.36 PRESSAVG: 1420800 -26.1336 -28.7978 -25.7005 -28.7978 27.5191 -24.3027 -25.7005 -24.3027 -15.0484 GPRESSAVG: 1420800 -25.5514 -27.0228 -26.5645 -28.5788 26.9138 -23.1442 -24.9047 -25.1182 -15.5079 TIMING: 1420800 CPU: 4437.82, 0.00312315/step Wall: 4437.82, 0.00312315/step, 3.1051 hours remaining, 235.226562 MB of memory in use. ENERGY: 1420800 4053.2917 20547.6177 14401.5715 232.1535 -203038.9211 2508.8869 0.0000 0.0000 51849.7768 -109445.6230 297.9814 -161295.3998 -109084.0821 298.9116 -222.8749 -200.2635 762665.6717 -4.5543 -4.7152 PRESSURE: 1421000 -272.45 40.3332 -7.6693 40.333 -622.727 -11.8885 -7.66933 -11.8889 -114.117 GPRESSURE: 1421000 -273.314 -48.2356 34.1535 33.2991 -561.028 -48.7316 -212.653 -49.5744 -98.9385 PRESSAVG: 1421000 10.0679 -9.52311 -29.959 -9.52313 -50.1182 -35.8741 -29.959 -35.8741 20.7765 GPRESSAVG: 1421000 10.3474 -9.00869 -28.8365 -9.07283 -50.6207 -36.9959 -31.2965 -35.9236 20.5346 TIMING: 1421000 CPU: 4438.45, 0.00313306/step Wall: 4438.45, 0.00313306/step, 3.11479 hours remaining, 235.226562 MB of memory in use. ENERGY: 1421000 4032.2400 20619.6994 14455.9101 257.8161 -203215.8008 2410.3925 0.0000 0.0000 51910.7020 -109529.0406 298.3315 -161439.7426 -109164.1261 298.6127 -336.4313 -311.0936 760321.1675 -6.4246 -6.5796 PRESSURE: 1421200 -131.595 -67.4143 -132.509 -67.413 -135.329 121.827 -132.51 121.826 368.148 GPRESSURE: 1421200 -98.1334 -78.9785 -23.0364 -82.5551 -163.533 115.02 -177.923 59.9296 436.061 PRESSAVG: 1421200 8.16675 14.257 -13.7382 14.257 8.23312 6.46881 -13.7382 6.46876 -23.4699 GPRESSAVG: 1421200 7.6082 11.7287 -15.6047 16.0829 8.56016 6.63459 -11.456 6.51724 -22.9414 TIMING: 1421200 CPU: 4439.07, 0.00313496/step Wall: 4439.07, 0.00313496/step, 3.1165 hours remaining, 235.226562 MB of memory in use. ENERGY: 1421200 3969.4296 20520.0739 14326.9510 250.0068 -203272.2314 2586.5505 0.0000 0.0000 52064.5494 -109554.6701 299.2157 -161619.2195 -109192.1118 298.0236 33.7414 58.1316 761296.3142 -2.3567 -2.2577 PRESSURE: 1421400 -113.286 254.774 -182.724 254.773 54.9106 175.989 -182.724 175.988 139.143 GPRESSURE: 1421400 -150.159 277.987 -75.6821 207.256 192.678 104.782 -247.232 197.45 141.778 PRESSAVG: 1421400 6.4744 -12.675 -10.1376 -12.675 -40.8595 -19.8062 -10.1376 -19.8061 18.9632 GPRESSAVG: 1421400 5.94247 -12.8306 -7.40302 -15.1605 -40.0665 -17.9327 -11.3406 -22.138 18.6555 TIMING: 1421400 CPU: 4439.7, 0.00313105/step Wall: 4439.7, 0.00313105/step, 3.11244 hours remaining, 235.226562 MB of memory in use. ENERGY: 1421400 3936.6225 20402.2238 14416.8133 243.5438 -203515.5616 2821.5269 0.0000 0.0000 52062.1483 -109632.6829 299.2019 -161694.8312 -109271.5326 298.3451 26.9226 61.4322 760598.3277 -5.1407 -5.1562 PRESSURE: 1421600 149.219 -202.493 -175.124 -202.493 -36.3186 47.4913 -175.125 47.4918 54.0135 GPRESSURE: 1421600 196.002 -95.5184 -167.93 -168.83 -29.65 119.094 -259.065 7.16183 80.3034 PRESSAVG: 1421600 95.3598 3.92035 -23.3235 3.92032 -68.458 -9.22517 -23.3235 -9.22525 12.0915 GPRESSAVG: 1421600 95.1159 4.54112 -26.239 6.13441 -69.3562 -10.4303 -23.0053 -7.28537 12.873 TIMING: 1421600 CPU: 4440.33, 0.00313283/step Wall: 4440.33, 0.00313283/step, 3.11403 hours remaining, 235.226562 MB of memory in use. ENERGY: 1421600 3959.0382 20516.8843 14423.9344 224.2018 -203271.0752 2702.0342 0.0000 0.0000 52100.9871 -109343.9954 299.4251 -161444.9824 -108989.5949 298.9481 55.6380 82.2185 763662.9947 12.9977 12.8776 PRESSURE: 1421800 -65.1531 139.685 151.315 139.685 429.702 -123.827 151.316 -123.829 -377.176 GPRESSURE: 1421800 7.8678 33.7761 304.699 85.8959 365.32 -66.5139 2.27857 -103.889 -324.264 PRESSAVG: 1421800 17.2906 0.412326 0.189717 0.412307 -18.8835 -3.31669 0.189716 -3.31673 14.5575 GPRESSAVG: 1421800 18.6756 -1.14245 2.06925 0.915632 -18.7002 -2.76533 -0.0394576 -2.5443 13.5109 TIMING: 1421800 CPU: 4440.95, 0.0031331/step Wall: 4440.95, 0.0031331/step, 3.11413 hours remaining, 235.226562 MB of memory in use. ENERGY: 1421800 3972.2708 20460.5280 14340.9822 253.7760 -203274.7101 2801.6727 0.0000 0.0000 51933.4909 -109511.9894 298.4625 -161445.4804 -109152.7794 298.8785 -4.2090 16.3079 761480.9912 4.3215 4.4954 PRESSURE: 1422000 -199.614 -57.516 -86.3504 -57.5154 -135.661 49.1932 -86.3512 49.1932 -353.668 GPRESSURE: 1422000 -166.025 38.7614 -126.43 -35.6398 -99.6556 68.5178 -88.4773 -16.4957 -360.901 PRESSAVG: 1422000 -14.5423 21.4256 -1.54636 21.4257 -8.64707 -45.4028 -1.54631 -45.4028 7.33139 GPRESSAVG: 1422000 -15.7633 22.7049 -1.21691 21.2258 -7.02148 -47.0026 -2.25435 -47.3752 6.84694 TIMING: 1422000 CPU: 4441.57, 0.00311325/step Wall: 4441.57, 0.00311325/step, 3.09422 hours remaining, 235.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1422000 3938.9872 20535.7239 14442.8902 249.6150 -203330.2766 2639.7546 0.0000 0.0000 51897.7279 -109625.5779 298.2570 -161523.3058 -109270.2344 298.3174 -229.6476 -208.8607 762823.4634 -5.2860 -5.3126 PRESSURE: 1422200 -61.8421 96.4191 -66.3587 96.4185 -480.716 2.90138 -66.3588 2.90066 69.0899 GPRESSURE: 1422200 18.8633 174.952 -67.3991 75.7894 -418.505 74.591 -46.6191 49.0654 4.79068 PRESSAVG: 1422200 30.874 82.5456 51.3813 82.5456 -52.6664 3.23645 51.3813 3.23645 6.43643 GPRESSAVG: 1422200 31.7773 82.778 50.8031 82.0196 -54.6524 5.77187 52.3709 4.01868 7.61538 TIMING: 1422200 CPU: 4442.2, 0.00312726/step Wall: 4442.2, 0.00312726/step, 3.10798 hours remaining, 235.226562 MB of memory in use. ENERGY: 1422200 3906.7782 20461.4968 14430.4375 258.0563 -203198.0426 2569.3724 0.0000 0.0000 52047.3665 -109524.5349 299.1169 -161571.9014 -109158.0778 298.1498 -157.8227 -131.6171 762955.4886 -5.1186 -5.0866 PRESSURE: 1422400 121.739 -92.7181 174.503 -92.7174 73.0573 -11.7143 174.502 -11.7134 -389.838 GPRESSURE: 1422400 98.0924 -77.2166 188.915 -71.84 183.986 -49.9171 90.4131 49.9143 -389.627 PRESSAVG: 1422400 9.61931 41.2774 39.9606 41.2775 -34.8766 -38.8633 39.9606 -38.8633 7.80583 GPRESSAVG: 1422400 8.60251 40.7224 37.2802 42.3635 -32.949 -42.3086 40.727 -37.078 6.80258 TIMING: 1422400 CPU: 4442.82, 0.00312102/step Wall: 4442.82, 0.00312102/step, 3.1016 hours remaining, 235.226562 MB of memory in use. ENERGY: 1422400 4000.6889 20392.7039 14448.9239 243.7225 -203138.9541 2615.1738 0.0000 0.0000 51930.8118 -109506.9293 298.4471 -161437.7411 -109147.1951 298.7989 -65.0139 -35.8498 761017.0115 -5.8171 -5.8480 PRESSURE: 1422600 115.357 210.703 -340.414 210.704 -20.6271 -80.4678 -340.415 -80.4679 -40.243 GPRESSURE: 1422600 69.2638 205.795 -384.814 185.065 75.9797 -139.545 -286.319 -276.631 -31.3299 PRESSAVG: 1422600 -2.4392 12.4442 28.2614 12.4441 -2.89884 -66.6896 28.2613 -66.6896 -14.5015 GPRESSAVG: 1422600 -0.506475 11.6633 31.5937 11.0092 -5.51628 -63.9621 27.5912 -66.985 -13.6661 TIMING: 1422600 CPU: 4443.45, 0.00312633/step Wall: 4443.45, 0.00312633/step, 3.1067 hours remaining, 235.226562 MB of memory in use. ENERGY: 1422600 3953.6193 20379.9613 14390.0087 262.1559 -203037.2373 2754.7597 0.0000 0.0000 52013.6563 -109283.0762 298.9232 -161296.7325 -108928.0114 298.7012 18.1625 37.9712 762173.3687 -6.6132 -6.5630 PRESSURE: 1422800 -56.8304 -7.61909 97.6027 -7.62069 48.3344 19.9884 97.6037 19.9882 12.5817 GPRESSURE: 1422800 -80.8002 23.3775 124.157 -69.399 175.228 -12.0775 -134.918 10.66 -20.1779 PRESSAVG: 1422800 -61.3837 47.7218 -33.2546 47.7218 23.7826 -9.10036 -33.2546 -9.10027 -17.7973 GPRESSAVG: 1422800 -63.2404 48.7169 -34.3329 48.0369 26.1354 -10.2406 -34.8045 -9.19177 -18.4597 TIMING: 1422800 CPU: 4444.07, 0.00311567/step Wall: 4444.07, 0.00311567/step, 3.09594 hours remaining, 235.226562 MB of memory in use. ENERGY: 1422800 3954.3091 20620.7708 14388.5503 258.0111 -203049.3998 2611.1790 0.0000 0.0000 51810.4852 -109406.0944 297.7556 -161216.5796 -109053.0859 298.3659 1.3619 24.7499 763827.9634 -18.4661 -18.5216 PRESSURE: 1423000 29.6977 109.133 268.271 109.133 15.1874 -132.361 268.271 -132.36 -42.6887 GPRESSURE: 1423000 112.176 69.8345 193.417 26.1006 -50.6997 -127.68 198.69 -172.108 15.8461 PRESSAVG: 1423000 26.5395 11.6351 49.3026 11.6352 -12.1896 -29.58 49.3026 -29.58 26.1506 GPRESSAVG: 1423000 27.2393 11.6711 48.3019 10.6571 -12.182 -29.8811 50.3421 -29.6125 25.9784 TIMING: 1423000 CPU: 4444.7, 0.00311505/step Wall: 4444.7, 0.00311505/step, 3.09514 hours remaining, 235.226562 MB of memory in use. ENERGY: 1423000 4026.9178 20455.8916 14442.5110 255.1667 -203656.7856 2899.4625 0.0000 0.0000 52071.9181 -109504.9179 299.2580 -161576.8360 -109132.4414 298.9855 0.7321 25.7742 761806.3211 13.5001 13.6786 PRESSURE: 1423200 84.3688 34.111 129.249 34.1109 -249.778 -45.4985 129.25 -45.4979 -201.153 GPRESSURE: 1423200 131.138 61.9167 178.754 -147.988 -202.196 -13.8105 117.31 -49.2786 -226.676 PRESSAVG: 1423200 -5.11416 -8.23621 53.0759 -8.23624 9.7813 -50.0096 53.0759 -50.0095 12.6628 GPRESSAVG: 1423200 -4.49374 -9.0791 54.9432 -8.93921 9.4997 -47.8307 52.0177 -51.199 11.8171 TIMING: 1423200 CPU: 4445.32, 0.00312458/step Wall: 4445.32, 0.00312458/step, 3.10445 hours remaining, 235.226562 MB of memory in use. ENERGY: 1423200 3897.4786 20550.8308 14459.7259 246.3330 -203477.6653 2636.6420 0.0000 0.0000 51950.5035 -109736.1514 298.5603 -161686.6548 -109374.4966 298.3728 -122.1874 -99.2446 762424.9831 5.7767 5.6077 PRESSURE: 1423400 -220.706 55.5247 145.269 55.5251 219.962 -17.3572 145.27 -17.358 -189.698 GPRESSURE: 1423400 -149.704 29.7898 136.724 173.145 152.118 -69.0189 53.9892 -75.3611 -126.347 PRESSAVG: 1423400 -28.9206 33.6814 40.7853 33.6815 37.8632 -29.839 40.7852 -29.8391 -7.65772 GPRESSAVG: 1423400 -29.3289 34.4565 38.7321 35.5924 37.4095 -32.8371 41.5035 -28.4527 -6.86029 TIMING: 1423400 CPU: 4445.95, 0.0031236/step Wall: 4445.95, 0.0031236/step, 3.10329 hours remaining, 235.226562 MB of memory in use. ENERGY: 1423400 3938.3806 20471.3026 14468.6346 257.0272 -203342.4982 2690.1486 0.0000 0.0000 51912.5497 -109604.4548 298.3421 -161517.0045 -109239.9961 298.3268 -63.4806 -41.3110 761871.8097 0.4283 0.4068 PRESSURE: 1423600 -71.787 91.9989 -190.927 91.9992 241.419 -221.238 -190.926 -221.239 -81.9752 GPRESSURE: 1423600 -102.042 146.367 -158.622 145.762 359.119 -271.149 -90.9974 -218.021 -75.7952 PRESSAVG: 1423600 -31.7003 65.3599 52.6184 65.3599 34.3901 -56.9555 52.6184 -56.9554 -3.91658 GPRESSAVG: 1423600 -30.7366 67.4821 56.5108 64.6902 33.1992 -56.6441 52.186 -58.7354 -3.05509 TIMING: 1423600 CPU: 4446.57, 0.0031211/step Wall: 4446.57, 0.0031211/step, 3.10064 hours remaining, 235.226562 MB of memory in use. ENERGY: 1423600 3969.9655 20559.1543 14437.2699 265.2488 -204034.5238 3086.1051 0.0000 0.0000 52045.8589 -109670.9212 299.1083 -161716.7802 -109308.5078 298.1653 29.2190 60.4273 762367.7277 -0.4089 -0.1975 PRESSURE: 1423800 -257.785 -68.3546 -69.1125 -68.3543 -485.395 -95.0753 -69.1125 -95.0766 -101.208 GPRESSURE: 1423800 -136.217 -4.45541 -5.58197 -76.1695 -474.629 -78.2146 30.4447 -169.085 -159.065 PRESSAVG: 1423800 -7.24658 30.2135 24.6735 30.2136 20.6341 -30.377 24.6734 -30.3771 12.1991 GPRESSAVG: 1423800 -6.30122 30.1031 23.8141 28.2705 20.5426 -28.9961 26.0991 -29.8144 11.7266 TIMING: 1423800 CPU: 4447.2, 0.00314036/step Wall: 4447.2, 0.00314036/step, 3.1196 hours remaining, 235.226562 MB of memory in use. ENERGY: 1423800 4098.9743 20559.3602 14415.6729 229.4971 -203479.4289 2639.0179 0.0000 0.0000 51853.5732 -109683.3333 298.0032 -161536.9065 -109322.1135 298.3226 -281.4627 -256.6370 762953.1023 8.5289 8.6560 PRESSURE: 1424000 -308.493 -85.7826 86.1809 -85.7831 -164.671 152.202 86.1804 152.201 -14.6006 GPRESSURE: 1424000 -258.973 -123.691 123.441 -126.692 -192.809 168.645 12.6619 132.405 32.2182 PRESSAVG: 1424000 -18.3156 -4.09639 26.6108 -4.09631 2.10713 43.5963 26.6108 43.5963 19.1567 GPRESSAVG: 1424000 -19.3851 -5.24358 25.6335 -3.26132 3.41298 42.9639 23.6222 42.17 19.4931 TIMING: 1424000 CPU: 4447.82, 0.00312648/step Wall: 4447.82, 0.00312648/step, 3.10564 hours remaining, 235.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1424000 3983.3282 20595.5757 14467.9740 250.7450 -203436.9534 2774.2422 0.0000 0.0000 51775.4959 -109589.5923 297.5545 -161365.0882 -109227.0557 297.8038 -162.5882 -139.8545 763919.2927 0.9827 1.1737 PRESSURE: 1424200 394.084 26.4582 -127.572 26.458 -146.519 -262.496 -127.573 -262.496 146.744 GPRESSURE: 1424200 432.07 -16.8695 -107.794 62.7204 -84.2293 -167.241 -182.641 -249.209 129.027 PRESSAVG: 1424200 -29.7458 27.2054 12.1275 27.2054 6.61008 -89.841 12.1274 -89.841 -17.7242 GPRESSAVG: 1424200 -29.7924 26.4865 12.6311 26.8335 6.65032 -89.9166 11.5408 -88.6501 -17.0788 TIMING: 1424200 CPU: 4448.45, 0.00313136/step Wall: 4448.45, 0.00313136/step, 3.11031 hours remaining, 235.226562 MB of memory in use. ENERGY: 1424200 4067.6896 20594.4754 14416.8960 251.0091 -203499.0085 2695.0699 0.0000 0.0000 52139.2383 -109334.6302 299.6449 -161473.8684 -108979.2627 298.9875 131.4359 158.9559 762217.7631 -13.6199 -13.4070 LDB: ============= START OF LOAD BALANCING ============== 4460.93 LDB: ============== END OF LOAD BALANCING =============== 4460.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4460.93 LDB: ============= START OF LOAD BALANCING ============== 4461.24 LDB: Largest compute 7052 load 0.030730 is 15.8% of average load 0.195057 LDB: Average compute 0.004382 is 2.2% of average load 0.195057 LDB: TIME 4461.25 LOAD: AVG 0.195057 MAX 0.217435 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.766 MB LDB: TIME 4461.25 LOAD: AVG 0.195057 MAX 0.217435 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.766 MB LDB: TIME 4461.25 LOAD: AVG 0.195057 MAX 0.217435 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.766 MB LDB: ============== END OF LOAD BALANCING =============== 4461.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4461.26 PRESSURE: 1424400 -158.95 -52.2795 -44.4749 -52.2798 -124.444 -318.997 -44.4742 -318.997 -88.8761 GPRESSURE: 1424400 -142.168 -82.1194 -60.7509 70.6434 -32.4213 -227.371 36.0688 -278.892 -109.372 PRESSAVG: 1424400 54.9619 11.3991 35.0546 11.3991 -21.6144 4.48722 35.0546 4.48721 10.7535 GPRESSAVG: 1424400 53.3164 10.353 33.3699 11.5246 -20.2983 4.12432 38.6577 4.34706 11.821 TIMING: 1424400 CPU: 4449.09, 0.00320116/step Wall: 4449.09, 0.00320116/step, 3.17946 hours remaining, 234.050781 MB of memory in use. ENERGY: 1424400 3971.9776 20539.9842 14420.9795 236.9914 -202845.1136 2204.3697 0.0000 0.0000 52129.3250 -109341.4862 299.5879 -161470.8113 -108977.4826 299.4353 -124.0901 -94.6537 761719.9606 14.7004 14.9464 PRESSURE: 1424600 -6.5111 97.2935 199.07 97.2931 -320.972 120.983 199.071 120.982 -10.6541 GPRESSURE: 1424600 37.6094 119.429 126.821 93.0892 -353.968 158.727 225.061 79.6159 51.8636 PRESSAVG: 1424600 -52.119 19.4001 10.5676 19.4 16.4133 37.8557 10.5676 37.8557 -7.89387 GPRESSAVG: 1424600 -50.7269 20.4194 13.2612 19.977 15.4988 39.2418 9.80544 37.5984 -8.71897 TIMING: 1424600 CPU: 4449.72, 0.00314081/step Wall: 4449.72, 0.00314081/step, 3.11934 hours remaining, 234.253906 MB of memory in use. ENERGY: 1424600 3976.5157 20557.5123 14445.0123 251.3735 -202909.0879 2666.7715 0.0000 0.0000 52020.8128 -108991.0898 298.9643 -161011.9026 -108638.2251 299.0943 -112.7125 -88.1650 762931.9609 -14.5332 -14.6490 PRESSURE: 1424800 -291.207 -231.115 -24.5614 -231.115 -177.785 -50.0485 -24.5616 -50.0494 -187.821 GPRESSURE: 1424800 -344.555 -174.344 -46.7316 -152.881 -108.502 -102.302 -100.564 50.3851 -128.753 PRESSAVG: 1424800 -14.3371 -30.1456 30.9387 -30.1456 2.64375 24.2966 30.9389 24.2966 19.6088 GPRESSAVG: 1424800 -15.4482 -30.425 30.2571 -29.7295 3.12328 24.1854 28.6564 25.4893 20.1837 TIMING: 1424800 CPU: 4450.34, 0.00311778/step Wall: 4450.34, 0.00311778/step, 3.0963 hours remaining, 234.253906 MB of memory in use. ENERGY: 1424800 4059.9591 20570.4837 14431.8705 232.2954 -202908.2272 2598.7416 0.0000 0.0000 51999.4560 -109015.4210 298.8416 -161014.8770 -108651.2729 299.4663 -218.9376 -193.9366 762141.5921 2.6385 2.6196 PRESSURE: 1425000 -188.986 -239.84 72.1978 -239.841 -294.506 -81.4466 72.1983 -81.4467 327.906 GPRESSURE: 1425000 -84.0864 -212.44 107.005 -287.497 -273.419 21.0038 107.022 -193.559 279.88 PRESSAVG: 1425000 -9.10416 27.0295 29.5163 27.0294 -51.9942 -4.34484 29.5163 -4.34481 14.1271 GPRESSAVG: 1425000 -7.03408 26.6922 27.1841 26.0745 -53.632 -4.21428 28.9659 -5.21218 13.1587 TIMING: 1425000 CPU: 4450.96, 0.00311478/step Wall: 4450.96, 0.00311478/step, 3.09315 hours remaining, 234.253906 MB of memory in use. ENERGY: 1425000 4010.6917 20621.9373 14467.2669 250.9868 -203119.9761 2552.1417 0.0000 0.0000 52103.0143 -109113.9373 299.4367 -161216.9516 -108747.6361 299.5393 -51.8621 -25.8752 762835.3055 -15.6571 -15.8358 PRESSURE: 1425200 -110.486 -9.56536 -77.0099 -9.56547 185.094 -14.2271 -77.0094 -14.2264 -142.335 GPRESSURE: 1425200 -38.6443 -50.9717 -50.7938 27.5507 164.51 26.2439 -119.534 -25.4166 -103.15 PRESSAVG: 1425200 25.4178 -10.1639 13.9698 -10.1639 -32.2401 35.8008 13.9698 35.8008 4.26527 GPRESSAVG: 1425200 24.6376 -9.08579 14.7957 -9.6769 -32.7968 35.9531 18.7301 37.2332 5.59301 TIMING: 1425200 CPU: 4451.59, 0.00312251/step Wall: 4451.59, 0.00312251/step, 3.10066 hours remaining, 234.253906 MB of memory in use. ENERGY: 1425200 4014.5544 20514.2378 14370.4914 236.2056 -203458.5137 2901.4913 0.0000 0.0000 52041.3661 -109380.1671 299.0824 -161421.5332 -109021.1832 299.3557 -22.5758 7.5719 760617.0551 -0.8524 -0.8554 PRESSURE: 1425400 -160.584 -33.337 -97.7278 -33.3375 -23.3848 204.543 -97.7279 204.542 18.064 GPRESSURE: 1425400 -107.328 -5.63872 -94.3139 3.41122 -3.15159 263.223 -27.0764 145.434 36.553 PRESSAVG: 1425400 73.4036 -27.9712 -25.4415 -27.9712 -36.4212 4.83613 -25.4415 4.83616 -10.7433 GPRESSAVG: 1425400 73.0092 -28.1546 -26.0704 -29.5136 -36.119 6.28368 -26.3932 3.19289 -11.2718 TIMING: 1425400 CPU: 4452.22, 0.00315061/step Wall: 4452.22, 0.00315061/step, 3.12838 hours remaining, 234.253906 MB of memory in use. ENERGY: 1425400 3928.7406 20442.9887 14457.5854 228.9534 -203314.6084 2779.0215 0.0000 0.0000 52206.1504 -109271.1683 300.0295 -161477.3187 -108908.3401 299.2314 -55.3016 -24.6422 761821.3298 8.7464 8.5394 PRESSURE: 1425600 -70.7843 -72.9535 54.9183 -72.9533 -135.892 123.224 54.919 123.224 -305.034 GPRESSURE: 1425600 -10.144 -67.4751 70.2645 -45.7801 -104.37 69.4023 126.108 34.6781 -297.838 PRESSAVG: 1425600 -23.1248 6.41108 37.4752 6.41113 3.57801 -41.376 37.4751 -41.3761 2.58261 GPRESSAVG: 1425600 -22.4477 6.38083 38.5443 8.1924 3.45139 -42.4551 36.2911 -42.2505 2.2202 TIMING: 1425600 CPU: 4452.85, 0.00314368/step Wall: 4452.85, 0.00314368/step, 3.12132 hours remaining, 234.253906 MB of memory in use. ENERGY: 1425600 3983.1477 20627.8028 14384.5805 249.7503 -203101.8226 2694.9344 0.0000 0.0000 51701.7341 -109459.8729 297.1306 -161161.6070 -109118.7491 299.1216 -170.5699 -137.4507 762429.8640 -5.6547 -5.5920 PRESSURE: 1425800 -302.901 283.103 111.673 283.102 78.8109 175.341 111.672 175.341 183.564 GPRESSURE: 1425800 -223.942 309.681 106.056 170.566 86.2492 39.1904 8.24675 223.86 176.188 PRESSAVG: 1425800 -21.6116 50.0807 67.7981 50.0806 -17.3427 13.7059 67.7981 13.7059 -6.53407 GPRESSAVG: 1425800 -22.5264 49.8136 69.3522 50.2426 -17.2764 12.6455 66.1614 16.1974 -5.87534 TIMING: 1425800 CPU: 4453.48, 0.00314537/step Wall: 4453.48, 0.00314537/step, 3.12283 hours remaining, 234.253906 MB of memory in use. ENERGY: 1425800 3986.9990 20521.7510 14403.5485 229.9217 -203644.6695 3194.5179 0.0000 0.0000 51638.9090 -109669.0223 296.7695 -161307.9313 -109309.3775 298.3466 -13.5087 12.8318 762805.3661 -15.1628 -15.2260 PRESSURE: 1426000 -128.619 -88.3903 -207.852 -88.3901 -67.8961 -185.261 -207.852 -185.262 241.865 GPRESSURE: 1426000 -73.7456 -104.076 -219.3 12.7307 18.9816 -182.09 -191.898 -167.446 173.787 PRESSAVG: 1426000 -22.5025 64.8538 -14.133 64.8538 22.7828 -70.9351 -14.133 -70.935 -18.0517 GPRESSAVG: 1426000 -22.9901 64.8972 -16.2805 63.6706 23.1602 -72.4231 -12.7679 -70.0396 -18.7271 TIMING: 1426000 CPU: 4454.1, 0.00312289/step Wall: 4454.1, 0.00312289/step, 3.10033 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1426000 3997.0845 20529.9887 14453.8556 256.5311 -203609.3098 2699.6729 0.0000 0.0000 52157.4854 -109514.6917 299.7498 -161672.1770 -109163.6516 298.5352 15.1164 39.6743 761196.3538 -5.9238 -6.1857 PRESSURE: 1426200 -307.841 -118.01 -3.69056 -118.01 -427.928 -200.134 -3.6909 -200.134 -334.013 GPRESSURE: 1426200 -320.173 49.3064 -7.92813 -2.64331 -326.079 -195.116 -14.2665 -113.732 -335.547 PRESSAVG: 1426200 -69.1212 24.7884 -34.6447 24.7885 51.4299 -26.4526 -34.6447 -26.4525 -9.38632 GPRESSAVG: 1426200 -69.0114 24.8546 -35.0336 26.3302 52.1553 -25.8917 -34.0673 -28.9847 -10.2039 TIMING: 1426200 CPU: 4454.73, 0.0031259/step Wall: 4454.73, 0.0031259/step, 3.10315 hours remaining, 234.253906 MB of memory in use. ENERGY: 1426200 4020.2779 20476.4560 14408.4368 243.3073 -203650.3619 2766.7215 0.0000 0.0000 52075.7737 -109659.3887 299.2802 -161735.1624 -109303.4718 298.7041 -356.5942 -327.2666 762810.8444 -9.0259 -9.0200 PRESSURE: 1426400 -70.0552 -65.2374 -61.2107 -65.2373 -221.931 136.839 -61.2096 136.84 -361.535 GPRESSURE: 1426400 -12.8045 -96.1567 -6.24218 -88.7072 -155.629 112.272 -32.1973 29.6021 -397.78 PRESSAVG: 1426400 -30.7631 11.1742 31.6012 11.1743 9.59611 1.89089 31.6012 1.89089 8.8723 GPRESSAVG: 1426400 -30.7459 12.4148 32.6144 11.1878 9.01477 3.08958 31.6453 1.63323 9.44472 TIMING: 1426400 CPU: 4455.35, 0.00313571/step Wall: 4455.35, 0.00313571/step, 3.11271 hours remaining, 234.253906 MB of memory in use. ENERGY: 1426400 4033.5620 20520.1918 14476.1484 245.9593 -203797.5983 2888.1722 0.0000 0.0000 51964.0353 -109669.5293 298.6380 -161633.5645 -109304.1762 298.8145 -217.8407 -188.7380 760566.0990 -4.0982 -4.0955 PRESSURE: 1426600 188.218 -39.4219 -107.781 -39.4213 -119.267 -206.36 -107.782 -206.359 -479.873 GPRESSURE: 1426600 203.171 -32.6991 -72.1256 33.3614 15.8925 -190.658 -120.685 -192.192 -539.783 PRESSAVG: 1426600 37.1668 -6.77332 -3.31418 -6.77332 8.56079 -40.0011 -3.31423 -40.0011 -7.86335 GPRESSAVG: 1426600 36.9901 -6.71624 -2.97917 -8.23085 8.97281 -38.4637 -4.70014 -39.1604 -8.08536 TIMING: 1426600 CPU: 4455.98, 0.00313698/step Wall: 4455.98, 0.00313698/step, 3.11381 hours remaining, 234.253906 MB of memory in use. ENERGY: 1426600 3989.3202 20542.7750 14463.3326 261.1019 -203607.6112 2793.3355 0.0000 0.0000 51982.0297 -109575.7163 298.7414 -161557.7460 -109213.7280 298.8376 -136.9741 -106.9065 760840.8775 12.6214 12.6259 PRESSURE: 1426800 -64.7434 -10.0321 199.265 -10.0313 250.799 101.024 199.264 101.025 -161.502 GPRESSURE: 1426800 26.3113 159.595 167.173 -5.02436 215.214 125.838 41.4741 -89.6722 -135.86 PRESSAVG: 1426800 6.78764 -27.5276 47.1408 -27.5276 -7.96734 -35.2437 47.1408 -35.2438 1.097 GPRESSAVG: 1426800 6.87389 -28.0975 47.1953 -25.9119 -8.76064 -36.5788 44.3403 -35.6275 2.0099 TIMING: 1426800 CPU: 4456.61, 0.00314422/step Wall: 4456.61, 0.00314422/step, 3.12081 hours remaining, 234.253906 MB of memory in use. ENERGY: 1426800 3991.1941 20571.4192 14505.2722 232.9787 -203340.8090 2731.1489 0.0000 0.0000 51925.3257 -109383.4702 298.4156 -161308.7959 -109020.9057 298.8727 8.1848 35.2220 762140.3851 -0.0276 0.0410 PRESSURE: 1427000 342.943 181.989 49.4611 181.989 -234.632 29.0262 49.461 29.0263 161.032 GPRESSURE: 1427000 329.498 140.961 43.7185 141.639 -185.859 100.513 74.0812 -1.84669 182.18 PRESSAVG: 1427000 -1.43704 -5.82119 4.80471 -5.8212 11.4994 -5.61616 4.80474 -5.61614 9.86315 GPRESSAVG: 1427000 -1.77813 -6.23082 5.66168 -6.92478 11.5943 -5.57631 5.94268 -6.34916 9.23302 TIMING: 1427000 CPU: 4457.24, 0.00313236/step Wall: 4457.24, 0.00313236/step, 3.10887 hours remaining, 234.253906 MB of memory in use. ENERGY: 1427000 3968.2537 20693.5129 14405.5109 253.9432 -203529.2598 2805.4875 0.0000 0.0000 52199.5758 -109202.9758 299.9917 -161402.5516 -108839.0606 299.6054 89.7809 108.6062 761473.0570 6.6418 6.3497 PRESSURE: 1427200 168.461 14.7547 -511.08 14.7545 372.568 -60.8833 -511.08 -60.8829 15.0901 GPRESSURE: 1427200 200.953 122.586 -515.433 -50.6631 420.648 26.0203 -297.935 -0.684983 0.890321 PRESSAVG: 1427200 5.95357 -4.61862 -4.98997 -4.61858 -17.3164 36.0321 -4.98989 36.0321 -25.4099 GPRESSAVG: 1427200 6.56722 -3.98386 -5.64504 -5.63272 -18.5301 35.2676 -5.40298 37.4159 -24.5733 TIMING: 1427200 CPU: 4457.86, 0.00311956/step Wall: 4457.86, 0.00311956/step, 3.09599 hours remaining, 234.253906 MB of memory in use. ENERGY: 1427200 3920.7559 20475.6397 14448.7379 243.1089 -203360.8702 2896.1735 0.0000 0.0000 52258.6064 -109117.8479 300.3309 -161376.4543 -108751.3270 299.5309 185.3729 207.4972 763278.6926 -12.2576 -12.1787 PRESSURE: 1427400 -87.0108 108.674 136.906 108.675 -248.717 -95.9962 136.907 -95.9966 -545.338 GPRESSURE: 1427400 -95.5283 265.643 138.019 171.968 -144.503 -155.665 153.48 -149.054 -576.138 PRESSAVG: 1427400 -22.9496 5.92697 58.3289 5.92696 16.4268 4.0206 58.3289 4.02063 -10.4818 GPRESSAVG: 1427400 -23.4135 7.6692 57.0293 6.15494 17.0064 5.08439 61.9939 2.92022 -11.0677 TIMING: 1427400 CPU: 4458.49, 0.00314113/step Wall: 4458.49, 0.00314113/step, 3.11722 hours remaining, 234.253906 MB of memory in use. ENERGY: 1427400 3957.5673 20500.9184 14488.3987 252.2938 -202945.8512 2619.8669 0.0000 0.0000 51991.6999 -109135.1063 298.7970 -161126.8062 -108760.6764 299.8474 -293.6885 -272.0562 764145.9508 -5.6682 -5.8249 PRESSURE: 1427600 277.311 191.006 144.43 191.006 -108.881 81.5582 144.43 81.5575 498.119 GPRESSURE: 1427600 363.783 79.9972 191.591 134.359 -80.5026 20.0045 15.6758 119.106 478.631 PRESSAVG: 1427600 -29.1201 -15.0927 10.6864 -15.0927 15.0278 1.52256 10.6864 1.52265 27.4616 GPRESSAVG: 1427600 -28.0566 -19.0802 12.062 -12.9983 15.2633 -0.448298 9.02769 2.39766 26.0192 TIMING: 1427600 CPU: 4459.12, 0.00313504/step Wall: 4459.12, 0.00313504/step, 3.111 hours remaining, 234.253906 MB of memory in use. ENERGY: 1427600 4002.5676 20612.2474 14558.7553 228.1838 -203232.3238 2853.1470 0.0000 0.0000 52104.6692 -108872.7534 299.4462 -160977.4225 -108515.1126 299.8489 222.1830 253.9704 762842.2028 4.4564 4.4086 PRESSURE: 1427800 -208.741 -22.0908 135.334 -22.0904 242.348 176.358 135.334 176.358 -111.745 GPRESSURE: 1427800 -186.045 -135.458 148.156 14.6383 298.461 109.864 211.447 194.877 -100.972 PRESSAVG: 1427800 -37.6279 -18.6993 17.4735 -18.6993 63.8185 36.331 17.4735 36.331 -21.5897 GPRESSAVG: 1427800 -39.0519 -17.5969 16.1979 -20.315 64.136 36.5043 18.3271 35.4632 -20.6039 TIMING: 1427800 CPU: 4459.74, 0.00313383/step Wall: 4459.74, 0.00313383/step, 3.10963 hours remaining, 234.253906 MB of memory in use. ENERGY: 1427800 3990.5819 20588.0617 14458.1838 248.9948 -203588.7679 2954.2463 0.0000 0.0000 52417.2038 -108931.4955 301.2424 -161348.6993 -108570.9455 300.2354 -26.0460 3.8151 764779.2533 1.5336 1.4934 PRESSURE: 1428000 165.677 -20.6025 -151.508 -20.6015 154.322 -74.9485 -151.508 -74.9482 282.425 GPRESSURE: 1428000 204.098 10.9309 -148.383 64.447 180.896 -62.9927 -167.842 8.42128 310.473 PRESSAVG: 1428000 -39.4378 -12.7392 10.2276 -12.7391 58.2702 3.28641 10.2276 3.28644 -22.9314 GPRESSAVG: 1428000 -37.8235 -10.9276 10.4414 -13.4697 57.1404 3.67186 10.0666 5.32193 -23.3406 TIMING: 1428000 CPU: 4460.37, 0.00312298/step Wall: 4460.37, 0.00312298/step, 3.09869 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1428000 3988.1331 20573.8785 14435.1698 245.8169 -203096.7428 2877.3095 0.0000 0.0000 52082.7846 -108893.6503 299.3205 -160976.4349 -108540.3218 299.5897 200.8081 231.8224 763042.1577 -1.3663 -1.3412 PRESSURE: 1428200 9.84598 63.093 -79.652 63.0931 -93.3449 -25.0022 -79.6514 -25.0033 -135.049 GPRESSURE: 1428200 -30.5149 -58.0002 -100.755 78.7745 40.1934 -37.1933 -33.4192 -80.3083 -146.52 PRESSAVG: 1428200 71.0135 8.52576 7.49635 8.52572 -71.1672 30.0571 7.49638 30.0571 14.1793 GPRESSAVG: 1428200 68.7698 6.73016 8.15377 9.52475 -69.5198 30.0272 8.14387 27.9847 14.7984 TIMING: 1428200 CPU: 4460.99, 0.00312243/step Wall: 4460.99, 0.00312243/step, 3.09797 hours remaining, 234.253906 MB of memory in use. ENERGY: 1428200 4088.6897 20513.1527 14419.6994 229.9919 -202949.3761 2527.3892 0.0000 0.0000 52158.5265 -109011.9267 299.7558 -161170.4532 -108646.4104 300.0374 -72.8493 -45.6138 764379.0526 4.6752 4.6828 LDB: ============= START OF LOAD BALANCING ============== 4473.47 LDB: ============== END OF LOAD BALANCING =============== 4473.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4473.47 LDB: ============= START OF LOAD BALANCING ============== 4473.78 LDB: Largest compute 7052 load 0.029303 is 15.0% of average load 0.195003 LDB: Average compute 0.004372 is 2.2% of average load 0.195003 LDB: TIME 4473.79 LOAD: AVG 0.195003 MAX 0.221548 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.051 MB LDB: TIME 4473.79 LOAD: AVG 0.195003 MAX 0.221548 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.16 MB LDB: TIME 4473.79 LOAD: AVG 0.195003 MAX 0.21277 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.16 MB LDB: ============== END OF LOAD BALANCING =============== 4473.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4473.79 PRESSURE: 1428400 -73.8707 315.812 13.0189 315.812 100.37 95.6103 13.0187 95.6095 5.29012 GPRESSURE: 1428400 41.6658 253.02 -23.6386 252.531 73.5529 46.2243 137.008 37.5045 -26.5433 PRESSAVG: 1428400 -4.81346 -24.2965 -8.53806 -24.2965 68.2504 -31.4552 -8.53811 -31.4551 14.9655 GPRESSAVG: 1428400 -4.54494 -23.479 -8.48959 -25.0564 67.4633 -31.9789 -7.75177 -29.7049 14.9678 TIMING: 1428400 CPU: 4461.63, 0.00317975/step Wall: 4461.63, 0.00317975/step, 3.15467 hours remaining, 234.378906 MB of memory in use. ENERGY: 1428400 3995.0265 20825.7013 14477.3089 247.3005 -203329.8887 2826.3815 0.0000 0.0000 52101.2076 -108856.9623 299.4264 -160958.1700 -108501.7226 299.8955 10.5966 29.5585 762598.2313 26.1341 25.9620 PRESSURE: 1428600 -143.019 40.4674 -129.612 40.4673 21.7156 -73.401 -129.614 -73.4001 156.916 GPRESSURE: 1428600 -22.9904 98.0317 -112.262 106.464 3.94808 16.1079 -283.725 3.99356 144.675 PRESSAVG: 1428600 11.6378 -34.6444 -51.7791 -34.6444 -10.0212 22.1038 -51.7791 22.1038 -9.71627 GPRESSAVG: 1428600 13.1565 -34.7555 -51.378 -34.215 -11.1841 22.7028 -54.8285 22.2887 -9.87244 TIMING: 1428600 CPU: 4462.25, 0.00312225/step Wall: 4462.25, 0.00312225/step, 3.09744 hours remaining, 234.582031 MB of memory in use. ENERGY: 1428600 3937.0371 20672.8444 14435.4333 243.6202 -203282.2569 2645.9815 0.0000 0.0000 52412.6118 -108934.7286 301.2160 -161347.3404 -108565.8426 300.2262 11.8707 41.8775 762204.8818 -2.6999 -2.6333 PRESSURE: 1428800 -369.296 95.5259 -240.636 95.527 -200.243 282.721 -240.636 282.72 -212.444 GPRESSURE: 1428800 -374.586 66.2928 -295.062 85.0855 -130.266 270.85 -215.106 299.59 -189.438 PRESSAVG: 1428800 2.97166 7.84232 -15.0444 7.84245 8.87483 -42.8853 -15.0445 -42.8854 -9.37023 GPRESSAVG: 1428800 1.86129 9.29229 -17.2111 7.80136 8.92274 -42.4845 -12.8633 -42.1073 -8.19947 TIMING: 1428800 CPU: 4462.87, 0.00310947/step Wall: 4462.87, 0.00310947/step, 3.08459 hours remaining, 234.582031 MB of memory in use. ENERGY: 1428800 3993.8764 20635.0107 14392.1262 237.3282 -202822.6613 2319.5643 0.0000 0.0000 52441.6330 -108803.1227 301.3828 -161244.7557 -108434.3790 300.5484 -260.6611 -231.4302 762863.0879 0.8254 0.8615 PRESSURE: 1429000 -441.004 36.7571 112.692 36.7566 -190.914 152.78 112.692 152.78 146.387 GPRESSURE: 1429000 -420.746 -7.17111 205.686 -24.5142 -229.263 110.836 152.884 67.7657 243.474 PRESSAVG: 1429000 -24.4705 39.2899 3.03247 39.2899 -7.71439 -44.2436 3.03248 -44.2436 28.3377 GPRESSAVG: 1429000 -23.9642 34.5812 5.05237 40.4176 -7.177 -43.3519 1.92637 -45.6687 26.9822 TIMING: 1429000 CPU: 4463.5, 0.00311539/step Wall: 4463.5, 0.00311539/step, 3.09029 hours remaining, 234.582031 MB of memory in use. ENERGY: 1429000 4063.9190 20856.8411 14444.9018 260.2825 -203108.9391 2483.5775 0.0000 0.0000 52274.9082 -108724.5090 300.4246 -160999.4172 -108360.6813 300.7239 -161.8436 -135.5120 763844.7209 -1.2824 -1.3863 PRESSURE: 1429200 16.8093 52.5484 33.1249 52.5482 462.203 2.41308 33.1247 2.41209 285.89 GPRESSURE: 1429200 130.266 87.8562 79.1526 -25.4328 401.533 -56.6497 80.4372 15.6132 305.643 PRESSAVG: 1429200 -66.5743 -21.9058 14.1022 -21.9058 76.503 -35.5096 14.1022 -35.5096 -5.28405 GPRESSAVG: 1429200 -65.7873 -19.6397 12.9171 -21.8049 76.0508 -37.7196 13.196 -33.6069 -5.26484 TIMING: 1429200 CPU: 4464.12, 0.0031089/step Wall: 4464.12, 0.0031089/step, 3.08369 hours remaining, 234.582031 MB of memory in use. ENERGY: 1429200 4027.6818 20739.3949 14464.6137 240.3633 -203165.4471 2670.8929 0.0000 0.0000 52320.5505 -108701.9501 300.6869 -161022.5006 -108328.0739 300.7477 254.9674 279.1475 759560.5247 1.5482 1.6662 PRESSURE: 1429400 31.7809 -85.6862 -260.44 -85.6859 -285.996 253.804 -260.44 253.805 -25.5833 GPRESSURE: 1429400 21.218 -215.849 -304.177 -76.2129 -209.609 214.723 -169.808 275.952 -16.9104 PRESSAVG: 1429400 56.1176 11.9996 -7.10067 11.9996 10.5238 26.2121 -7.10061 26.2121 3.95076 GPRESSAVG: 1429400 55.4908 10.2132 -6.96843 11.6011 10.4016 24.7083 -5.70913 24.1771 4.43325 TIMING: 1429400 CPU: 4464.74, 0.00310579/step Wall: 4464.74, 0.00310579/step, 3.08042 hours remaining, 234.582031 MB of memory in use. ENERGY: 1429400 4004.5188 20672.8223 14444.4427 253.2331 -203138.3444 2621.7913 0.0000 0.0000 52485.2177 -108656.3184 301.6333 -161141.5361 -108291.6707 300.9399 -93.2663 -68.4337 760771.1724 23.5307 23.4419 PRESSURE: 1429600 375.861 74.5968 -24.8971 74.5968 46.9898 -333.76 -24.8976 -333.761 267.418 GPRESSURE: 1429600 356.194 150.581 -33.7675 33.7988 179.569 -251.491 -46.1193 -282.923 229.153 PRESSAVG: 1429600 -25.0391 -8.40026 8.08093 -8.40031 14.7602 -3.9818 8.0809 -3.98185 -0.188932 GPRESSAVG: 1429600 -26.3022 -6.02963 7.62556 -9.85979 15.8172 -2.06244 7.49995 -1.86702 -0.54674 TIMING: 1429600 CPU: 4465.36, 0.00309917/step Wall: 4465.36, 0.00309917/step, 3.07368 hours remaining, 234.582031 MB of memory in use. ENERGY: 1429600 4032.5243 20652.6869 14353.0245 241.9531 -202936.7726 2726.1591 0.0000 0.0000 52363.9270 -108566.4977 300.9362 -160930.4247 -108220.4950 300.9198 230.0894 254.9721 762803.8877 -3.4893 -3.6772 PRESSURE: 1429800 -279.163 237.15 238.995 237.149 -53.0481 112.037 238.995 112.037 211.886 GPRESSURE: 1429800 -226.423 161.079 249.031 240.757 -11.3498 141.614 195.737 -12.0452 226.952 PRESSAVG: 1429800 5.45633 -31.987 44.6994 -31.9871 -38.5717 -56.5592 44.6994 -56.5592 7.12149 GPRESSAVG: 1429800 6.53546 -33.2587 43.514 -31.3693 -38.0341 -56.6822 45.8171 -58.0926 5.40219 TIMING: 1429800 CPU: 4465.98, 0.00311734/step Wall: 4465.98, 0.00311734/step, 3.09154 hours remaining, 234.582031 MB of memory in use. ENERGY: 1429800 4046.0476 20603.4099 14386.8999 236.6833 -202611.0434 2652.9950 0.0000 0.0000 52184.1427 -108500.8650 299.9030 -160685.0077 -108149.2096 300.5570 -40.1084 -3.6071 763900.1862 -8.6646 -8.6988 PRESSURE: 1430000 -55.7803 163.634 -192.747 163.634 314.781 73.9088 -192.748 73.9074 -176.666 GPRESSURE: 1430000 -2.32013 69.8135 -152.623 152.268 357.65 132.205 -106.865 71.1179 -176.409 PRESSAVG: 1430000 46.1901 -21.1847 -0.368329 -21.1848 -63.9455 7.7294 -0.368314 7.72945 26.5986 GPRESSAVG: 1430000 46.11 -20.069 0.205756 -21.5566 -65.5911 7.65338 -1.17979 10.4545 28.2332 TIMING: 1430000 CPU: 4466.61, 0.00311475/step Wall: 4466.61, 0.00311475/step, 3.0888 hours remaining, 234.582031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1430000 4091.9435 20564.7826 14473.9808 246.3335 -202720.7384 2748.1983 0.0000 0.0000 52377.4931 -108218.0065 301.0142 -160595.4996 -107855.0703 301.2749 27.4447 59.6405 763960.1691 2.9477 2.9174 PRESSURE: 1430200 9.79901 -16.3114 -62.9785 -16.3109 -175.536 -186.151 -62.9793 -186.151 401.21 GPRESSURE: 1430200 114.039 -2.59365 -109.746 -92.1021 -115.644 -260.89 -35.5041 -145.31 311.16 PRESSAVG: 1430200 38.5861 -9.2568 26.4489 -9.25676 -48.8597 -4.5677 26.4489 -4.56776 -13.2088 GPRESSAVG: 1430200 37.9834 -8.60242 28.3206 -10.4617 -48.0194 -4.91455 25.4856 -7.94744 -13.9832 TIMING: 1430200 CPU: 4467.23, 0.00311252/step Wall: 4467.23, 0.00311252/step, 3.08641 hours remaining, 234.582031 MB of memory in use. ENERGY: 1430200 3940.6281 20720.0365 14512.6761 253.3923 -202910.5021 2486.9561 0.0000 0.0000 52663.2432 -108333.5698 302.6564 -160996.8130 -107967.4855 301.3202 78.4908 103.1851 763441.9440 -7.8275 -8.0064 PRESSURE: 1430400 34.0828 -144.177 -122.561 -144.176 -193.093 100.272 -122.56 100.274 -206.38 GPRESSURE: 1430400 108.397 -101.499 -107.387 -137.736 -217.916 80.1679 -257.111 157.817 -156.18 PRESSAVG: 1430400 43.1495 -47.8746 -25.9902 -47.8745 -47.4953 5.94937 -25.9902 5.94945 15.4148 GPRESSAVG: 1430400 43.2015 -48.0612 -29.0117 -45.1468 -48.9215 4.81698 -22.7435 7.88719 16.6188 TIMING: 1430400 CPU: 4467.85, 0.00311405/step Wall: 4467.85, 0.00311405/step, 3.08775 hours remaining, 234.582031 MB of memory in use. ENERGY: 1430400 3967.4131 20637.8565 14412.0692 233.9284 -202339.7324 2488.8455 0.0000 0.0000 52118.9169 -108480.7027 299.5281 -160599.6196 -108118.8772 301.0553 -121.7965 -88.5664 765361.7535 3.6897 3.6329 PRESSURE: 1430600 -181.327 307.017 -126.99 307.017 -39.5601 -144.927 -126.99 -144.927 -118.342 GPRESSURE: 1430600 -132.067 282.606 -157.401 283.405 -25.1232 -124.523 -64.7517 -82.6008 -86.925 PRESSAVG: 1430600 14.5855 -37.4179 8.85427 -37.4179 -68.8357 5.19098 8.85426 5.19094 22.3703 GPRESSAVG: 1430600 15.8152 -36.7023 10.5331 -38.0869 -69.2405 5.0967 7.49655 4.79648 21.846 TIMING: 1430600 CPU: 4468.47, 0.00310623/step Wall: 4468.47, 0.00310623/step, 3.07983 hours remaining, 234.582031 MB of memory in use. ENERGY: 1430600 4060.8224 20568.4341 14403.9442 240.4352 -202839.7158 2851.9468 0.0000 0.0000 52170.1059 -108544.0272 299.8223 -160714.1331 -108180.8731 300.4086 -113.0764 -81.3717 763494.1781 -10.6266 -10.5264 PRESSURE: 1430800 -95.6457 2.7989 -61.1431 2.79782 -466.905 52.4894 -61.1443 52.4897 18.8772 GPRESSURE: 1430800 -97.4925 48.2895 -1.42509 -49.007 -396.066 92.096 -8.78883 -74.7765 34.1858 PRESSAVG: 1430800 17.6541 34.9602 7.07913 34.9602 22.1829 -36.5755 7.07917 -36.5755 -20.7047 GPRESSAVG: 1430800 16.1705 34.8316 6.78726 34.5792 22.8703 -37.3649 5.61917 -35.9739 -20.571 TIMING: 1430800 CPU: 4469.1, 0.00312092/step Wall: 4469.1, 0.00312092/step, 3.09422 hours remaining, 234.582031 MB of memory in use. ENERGY: 1430800 4005.9239 20642.9121 14376.4854 260.1660 -202768.4733 2626.9165 0.0000 0.0000 52236.5681 -108619.5012 300.2043 -160856.0693 -108257.0883 300.3254 -181.2244 -153.1243 766298.8653 6.3774 6.1566 PRESSURE: 1431000 410.136 32.9657 -118.243 32.9659 -24.7108 -242.173 -118.243 -242.173 -191.692 GPRESSURE: 1431000 341.584 -66.7914 -113.652 -88.9178 86.6771 -149.516 -254.595 -314.007 -151.777 PRESSAVG: 1431000 -35.625 -21.0902 -9.64399 -21.0901 -13.4352 -0.873863 -9.64397 -0.873936 10.2551 GPRESSAVG: 1431000 -35.0827 -22.4339 -9.22994 -20.7875 -13.7038 1.16931 -9.52078 -2.47891 9.51199 TIMING: 1431000 CPU: 4469.72, 0.00311792/step Wall: 4469.72, 0.00311792/step, 3.09107 hours remaining, 234.582031 MB of memory in use. ENERGY: 1431000 4040.5955 20641.1995 14382.8199 245.1299 -203068.2203 3018.3738 0.0000 0.0000 52080.0780 -108660.0237 299.3049 -160740.1018 -108297.0500 300.0776 64.5779 92.1612 765429.2399 -12.9350 -13.0915 PRESSURE: 1431200 310.108 -34.7215 -80.8018 -34.7204 -399.601 78.3253 -80.8012 78.3261 -107.869 GPRESSURE: 1431200 285.768 -33.4863 72.7843 59.1646 -374.027 -5.36644 47.4222 124.427 -31.4612 PRESSAVG: 1431200 32.6154 -23.3142 25.7725 -23.3142 -48.4769 -34.1945 25.7725 -34.1945 18.164 GPRESSAVG: 1431200 32.2418 -22.3204 24.6075 -23.3436 -47.4889 -35.564 27.1161 -33.2608 17.3843 TIMING: 1431200 CPU: 4470.35, 0.00313846/step Wall: 4470.35, 0.00313846/step, 3.11126 hours remaining, 234.582031 MB of memory in use. ENERGY: 1431200 4061.7372 20566.2928 14407.2278 259.4052 -202996.6144 2869.2661 0.0000 0.0000 52061.9753 -108770.7099 299.2009 -160832.6853 -108403.9111 300.3733 -65.7872 -39.9066 764391.1476 0.7675 0.7124 PRESSURE: 1431400 -53.4404 -275.033 147.673 -275.033 -28.0038 -109.651 147.673 -109.652 87.5413 GPRESSURE: 1431400 -14.2313 -209.747 158.915 -296.862 -36.0964 -139.502 203.686 -139.555 122.944 PRESSAVG: 1431400 -19.0212 -55.2951 51.7911 -55.2951 -1.84999 18.0683 51.7911 18.0682 -14.2217 GPRESSAVG: 1431400 -17.88 -54.1341 52.3488 -56.1866 -3.117 17.2338 49.3389 17.9618 -13.512 TIMING: 1431400 CPU: 4470.97, 0.00312713/step Wall: 4470.97, 0.00312713/step, 3.09985 hours remaining, 234.582031 MB of memory in use. ENERGY: 1431400 3986.4879 20538.3988 14439.0216 237.6874 -203105.1189 2693.3671 0.0000 0.0000 52231.7928 -108978.3633 300.1768 -161210.1560 -108617.1894 299.6109 2.0324 24.2053 763977.0725 -11.6976 -11.5030 PRESSURE: 1431600 253.606 217.269 197.121 217.269 -491.977 -153.433 197.121 -153.432 225.108 GPRESSURE: 1431600 262.558 91.5005 187.385 180.28 -426.153 -91.6136 32.8968 -169.731 237.397 PRESSAVG: 1431600 20.4935 -17.3229 6.45095 -17.3229 -48.0635 -10.9601 6.45098 -10.9601 17.557 GPRESSAVG: 1431600 20.5216 -20.5698 7.62641 -16.8874 -48.255 -10.4963 7.05643 -11.1257 17.8529 TIMING: 1431600 CPU: 4471.6, 0.00312011/step Wall: 4471.6, 0.00312011/step, 3.09272 hours remaining, 234.582031 MB of memory in use. ENERGY: 1431600 3927.7689 20550.5081 14424.1238 257.5987 -203237.8963 2788.0655 0.0000 0.0000 52112.8801 -109176.9511 299.4934 -161289.8312 -108817.9282 299.7045 -4.4210 24.6006 764194.4174 -3.3376 -3.2935 PRESSURE: 1431800 -213.25 137.357 -85.457 137.356 -174.014 20.7413 -85.4565 20.7402 -246.396 GPRESSURE: 1431800 -257.743 204.432 -112.002 50.3724 -75.3208 21.0191 -53.6871 98.9028 -217.929 PRESSAVG: 1431800 -4.92225 49.9736 55.8781 49.9736 4.33032 47.957 55.8781 47.957 -8.93998 GPRESSAVG: 1431800 -7.08575 50.9479 54.876 49.3349 5.64031 48.3538 56.5264 50.2225 -7.83744 TIMING: 1431800 CPU: 4472.22, 0.0031304/step Wall: 4472.22, 0.0031304/step, 3.10274 hours remaining, 234.582031 MB of memory in use. ENERGY: 1431800 4070.2385 20478.8435 14436.2826 247.3405 -203034.5766 2603.0506 0.0000 0.0000 52048.3050 -109150.5160 299.1223 -161198.8210 -108793.5039 299.0701 -211.2200 -183.6642 763076.8268 -3.1773 -3.0943 PRESSURE: 1432000 -192.791 -18.7795 87.254 -18.7802 177.35 -286.407 87.2536 -286.408 -23.3026 GPRESSURE: 1432000 -154.48 -35.5007 54.1786 -53.1926 139.311 -352.284 36.9009 -242.304 57.3976 PRESSAVG: 1432000 7.73209 7.12795 11.002 7.12792 21.6397 -23.2095 11.0019 -23.2095 -10.9189 GPRESSAVG: 1432000 7.80826 5.66281 11.6341 7.81213 21.9578 -23.6912 11.6647 -25.0799 -11.7005 TIMING: 1432000 CPU: 4472.85, 0.003126/step Wall: 4472.85, 0.003126/step, 3.09821 hours remaining, 234.582031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1432000 3962.8593 20557.5374 14462.3376 253.8521 -202813.4682 2765.8696 0.0000 0.0000 51988.8856 -108822.1265 298.7808 -160811.0122 -108459.1578 299.1851 -12.9145 14.0761 765587.3490 6.1510 6.0219 PRESSURE: 1432200 -317.154 -100.126 -78.0308 -100.126 -98.8849 47.7307 -78.031 47.7313 95.2619 GPRESSURE: 1432200 -242.397 -162.51 -109.612 -50.5343 -52.004 114.616 -147.883 94.5399 27.423 PRESSAVG: 1432200 14.0141 11.2175 40.4571 11.2176 25.8266 -2.40911 40.4571 -2.40911 24.2053 GPRESSAVG: 1432200 15.7641 13.1794 39.2832 11.3011 24.3393 -1.74918 40.3619 -2.88173 23.052 TIMING: 1432200 CPU: 4473.47, 0.00310412/step Wall: 4473.47, 0.00310412/step, 3.07636 hours remaining, 234.582031 MB of memory in use. ENERGY: 1432200 3991.6842 20733.5923 14450.5921 257.7018 -202772.8578 2511.3577 0.0000 0.0000 51848.6680 -108979.2616 297.9750 -160827.9296 -108622.3604 299.6223 -106.9257 -88.9928 763689.8083 21.3486 21.0518 LDB: ============= START OF LOAD BALANCING ============== 4485.95 LDB: ============== END OF LOAD BALANCING =============== 4485.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4485.95 LDB: ============= START OF LOAD BALANCING ============== 4486.26 LDB: Largest compute 7052 load 0.029223 is 15.0% of average load 0.195023 LDB: Average compute 0.004371 is 2.2% of average load 0.195023 LDB: TIME 4486.26 LOAD: AVG 0.195023 MAX 0.216947 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.766 MB LDB: TIME 4486.26 LOAD: AVG 0.195023 MAX 0.216947 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.766 MB LDB: TIME 4486.26 LOAD: AVG 0.195023 MAX 0.216947 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.766 MB LDB: ============== END OF LOAD BALANCING =============== 4486.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4486.27 PRESSURE: 1432400 -132.109 -70.5485 -128.151 -70.5492 37.4763 85.7259 -128.151 85.7269 -238.505 GPRESSURE: 1432400 -143.645 -222.711 10.6468 -113.956 4.08772 118.868 -39.4509 50.7642 -123.294 PRESSAVG: 1432400 -58.0788 -27.6049 22.9604 -27.6049 61.6197 18.6675 22.9604 18.6675 5.4344 GPRESSAVG: 1432400 -57.7992 -30.0523 24.9736 -27.5892 60.404 18.8483 22.2695 19.9447 6.52175 TIMING: 1432400 CPU: 4474.11, 0.00317847/step Wall: 4474.11, 0.00317847/step, 3.14987 hours remaining, 235.023438 MB of memory in use. ENERGY: 1432400 3976.5557 20505.7894 14457.9428 251.7952 -203317.1562 2934.5669 0.0000 0.0000 52049.1405 -109141.3657 299.1271 -161190.5062 -108785.8868 299.4212 -111.0461 -87.6173 761806.1866 2.9918 3.0422 PRESSURE: 1432600 166.814 45.1045 193.471 45.1043 -291.906 47.9036 193.471 47.9045 -161.841 GPRESSURE: 1432600 201.184 -12.0038 93.6208 39.8144 -218.515 160.325 246.166 32.9367 -160.868 PRESSAVG: 1432600 -33.7428 16.0348 11.8985 16.0348 16.7339 -26.3949 11.8984 -26.3948 -14.7078 GPRESSAVG: 1432600 -35.5472 18.6679 10.71 15.7579 18.1475 -27.4798 13.3302 -26.0837 -14.2108 TIMING: 1432600 CPU: 4474.73, 0.00311155/step Wall: 4474.73, 0.00311155/step, 3.08338 hours remaining, 235.023438 MB of memory in use. ENERGY: 1432600 3892.2639 20687.2293 14433.2990 251.0099 -203126.6531 2700.4690 0.0000 0.0000 52053.4192 -109108.9628 299.1517 -161162.3820 -108757.8210 298.9909 -95.6444 -59.3995 764425.1739 -10.5723 -10.5368 PRESSURE: 1432800 -168.747 28.646 -20.8918 28.6456 -82.4552 27.385 -20.8917 27.3846 123.471 GPRESSURE: 1432800 -90.1459 -2.90223 13.2047 -66.1979 -48.3547 19.4477 57.0194 113.405 93.097 PRESSAVG: 1432800 -55.5285 11.3392 16.0082 11.3392 33.1805 16.164 16.0082 16.1641 8.93118 GPRESSAVG: 1432800 -54.9992 10.5136 14.947 11.6512 33.4098 17.7426 17.2065 16.0529 8.1408 TIMING: 1432800 CPU: 4475.35, 0.00311366/step Wall: 4475.35, 0.00311366/step, 3.08529 hours remaining, 235.023438 MB of memory in use. ENERGY: 1432800 3996.1499 20742.9883 14344.4782 246.0211 -203062.3238 2631.1400 0.0000 0.0000 51692.8583 -109408.6880 297.0796 -161101.5463 -109056.4507 299.3876 -42.5770 -15.1346 763055.8387 -4.4723 -4.4828 PRESSURE: 1433000 -339.419 161.733 -134.106 161.733 -25.7867 219.2 -134.107 219.203 -456.117 GPRESSURE: 1433000 -199.235 109.999 -92.0279 202.129 -72.0457 232.364 -208.9 235.138 -459.179 PRESSAVG: 1433000 44.6746 -25.4883 9.85919 -25.4883 -33.4111 16.2758 9.85917 16.2759 14.2935 GPRESSAVG: 1433000 44.844 -25.2849 10.4841 -26.1798 -32.8019 15.3122 9.05195 15.3925 13.4823 TIMING: 1433000 CPU: 4475.97, 0.00311115/step Wall: 4475.97, 0.00311115/step, 3.08263 hours remaining, 235.023438 MB of memory in use. ENERGY: 1433000 3995.8539 20510.6889 14402.9245 284.2841 -203418.0754 2539.9877 0.0000 0.0000 52038.7994 -109645.5369 299.0677 -161684.3363 -109284.3256 298.4901 -273.7742 -243.4864 762847.3750 8.5190 8.5081 PRESSURE: 1433200 -73.3142 -101.458 16.3368 -101.458 18.2264 -145.481 16.3361 -145.481 -338.028 GPRESSURE: 1433200 9.11505 -128.792 0.171087 72.1508 30.2989 -126.788 34.8637 -239.021 -332.436 PRESSAVG: 1433200 19.632 9.9233 -9.5809 9.92334 -2.25597 28.9377 -9.58096 28.9376 -1.9826 GPRESSAVG: 1433200 20.0441 9.45851 -9.5001 12.0776 -4.03256 29.0275 -10.2316 29.0596 -0.586011 TIMING: 1433200 CPU: 4476.59, 0.00310616/step Wall: 4476.59, 0.00310616/step, 3.07751 hours remaining, 235.023438 MB of memory in use. ENERGY: 1433200 3951.6211 20447.5838 14530.1110 231.2849 -203378.3098 2632.1166 0.0000 0.0000 51953.3083 -109632.2840 298.5764 -161585.5923 -109269.5887 298.9765 -131.0386 -97.6739 761302.8480 5.1311 5.1419 PRESSURE: 1433400 166.044 -29.513 23.8498 -29.5132 -67.6822 11.4038 23.8481 11.4038 -175.553 GPRESSURE: 1433400 275.939 62.9299 37.3146 -92.6197 -74.6782 -7.94201 19.7215 73.8808 -224.727 PRESSAVG: 1433400 -24.3701 40.1735 -0.803582 40.1734 12.8911 13.1242 -0.803509 13.1241 -15.8595 GPRESSAVG: 1433400 -23.6902 40.8913 -1.12495 39.2219 13.546 11.3237 -0.782291 13.8491 -17.2155 TIMING: 1433400 CPU: 4477.22, 0.0031114/step Wall: 4477.22, 0.0031114/step, 3.08253 hours remaining, 235.023438 MB of memory in use. ENERGY: 1433400 4022.9332 20613.5063 14357.9009 246.4212 -203535.6140 2715.6132 0.0000 0.0000 52073.7040 -109505.5353 299.2683 -161579.2393 -109137.2414 298.9404 -25.7307 -7.8219 761911.5828 -9.1128 -9.1199 PRESSURE: 1433600 -338.516 -16.0581 47.6757 -16.058 -176.202 45.58 47.6758 45.5798 -163.671 GPRESSURE: 1433600 -301.47 15.3576 -8.78886 81.2258 -159.783 74.4784 10.1672 -0.382364 -128.565 PRESSAVG: 1433600 29.8798 -49.2868 -45.1685 -49.2868 -22.683 4.5257 -45.1685 4.52572 -7.58643 GPRESSAVG: 1433600 29.0496 -49.4491 -44.5273 -50.6773 -22.1913 6.08593 -46.1714 6.37322 -7.05269 TIMING: 1433600 CPU: 4477.84, 0.0031275/step Wall: 4477.84, 0.0031275/step, 3.09831 hours remaining, 235.023438 MB of memory in use. ENERGY: 1433600 3990.5468 20517.7259 14373.8265 250.0709 -203251.9353 2526.8773 0.0000 0.0000 52053.2012 -109539.6866 299.1505 -161592.8879 -109185.1032 298.6501 -226.1296 -196.6060 763297.1746 -0.1299 -0.0648 PRESSURE: 1433800 -164.771 204.088 -190.078 204.088 -46.8547 -199.998 -190.078 -199.998 -145.976 GPRESSURE: 1433800 -59.5201 161.876 -73.5689 273.166 -107.526 -138.873 -162.216 -252.744 -98.8393 PRESSAVG: 1433800 -9.80084 -19.166 3.12237 -19.166 -25.9759 13.2551 3.12235 13.2552 6.365 GPRESSAVG: 1433800 -8.36913 -19.8526 2.04357 -18.9984 -27.1305 13.4151 4.84066 11.482 6.27472 TIMING: 1433800 CPU: 4478.47, 0.00312266/step Wall: 4478.47, 0.00312266/step, 3.09334 hours remaining, 235.023438 MB of memory in use. ENERGY: 1433800 4005.0313 20463.8581 14358.4108 258.1563 -203396.9200 2897.6798 0.0000 0.0000 52246.1670 -109167.6168 300.2594 -161413.7838 -108809.6914 298.9701 -119.2004 -88.6285 762172.1960 -9.8039 -9.7416 PRESSURE: 1434000 -140.498 109.522 258.687 109.521 -35.5528 289.525 258.687 289.525 -340.484 GPRESSURE: 1434000 -89.9196 89.3924 237.244 3.56699 8.55465 232.348 307.977 234.277 -353.98 PRESSAVG: 1434000 32.0447 21.8839 -7.62863 21.8838 -15.7586 -30.814 -7.62864 -30.8139 -19.7285 GPRESSAVG: 1434000 30.5148 22.5534 -6.2367 20.3697 -13.6473 -31.8999 -9.26782 -31.1768 -19.9942 TIMING: 1434000 CPU: 4479.09, 0.00312956/step Wall: 4479.09, 0.00312956/step, 3.1 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1434000 4028.6038 20489.8598 14413.4787 243.8151 -203399.7843 2787.0882 0.0000 0.0000 51991.4888 -109445.4499 298.7958 -161436.9387 -109080.5550 299.0425 -172.1781 -145.1151 763815.7466 -1.1475 -1.0422 PRESSURE: 1434200 -142.89 -3.40639 -86.6298 -3.40578 8.56637 271.953 -86.6299 271.953 -206.378 GPRESSURE: 1434200 -60.6155 -81.647 -59.5305 -45.6009 -118.392 221.187 18.1386 154.656 -85.4593 PRESSAVG: 1434200 7.24776 9.67637 13.7058 9.67634 -17.5306 -7.91871 13.7058 -7.91866 6.90299 GPRESSAVG: 1434200 8.58612 7.97469 12.6655 11.0511 -18.9652 -8.75172 16.463 -4.89305 7.25079 TIMING: 1434200 CPU: 4479.72, 0.00312894/step Wall: 4479.72, 0.00312894/step, 3.09922 hours remaining, 235.023438 MB of memory in use. ENERGY: 1434200 4044.5558 20556.7556 14455.3277 249.6959 -203181.3578 2586.2436 0.0000 0.0000 51834.4551 -109454.3242 297.8933 -161288.7793 -109104.6816 298.6954 -113.5671 -88.1555 763975.2760 -1.1266 -1.0427 PRESSURE: 1434400 276.842 140.607 338.704 140.607 -120.781 70.21 338.704 70.21 635.399 GPRESSURE: 1434400 313.782 168.228 343.437 161.788 -18.9502 53.3155 101.391 93.6262 561.354 PRESSAVG: 1434400 48.2738 28.1514 14.9434 28.1514 -28.4084 28.0241 14.9434 28.024 -2.44963 GPRESSAVG: 1434400 47.5089 30.029 16.9266 28.4557 -27.6924 30.1281 12.0341 26.5031 -2.58744 TIMING: 1434400 CPU: 4480.34, 0.00311166/step Wall: 4480.34, 0.00311166/step, 3.08193 hours remaining, 235.023438 MB of memory in use. ENERGY: 1434400 3978.2391 20624.3782 14327.6471 245.7780 -203693.6443 3315.2582 0.0000 0.0000 51787.6655 -109414.6782 297.6244 -161202.3437 -109048.3665 298.6147 263.8198 285.3952 764325.1760 5.8052 5.7430 PRESSURE: 1434600 116.768 57.4519 67.0448 57.4505 267.555 -88.8471 67.0459 -88.8465 377.093 GPRESSURE: 1434600 204.033 76.6801 73.0156 114.179 290.756 -95.8364 177.289 -151.647 353.224 PRESSAVG: 1434600 26.9802 -22.9698 0.322857 -22.9698 -57.9575 -16.7339 0.322849 -16.7339 -0.574208 GPRESSAVG: 1434600 27.423 -24.5367 -0.812313 -22.4323 -58.393 -16.6851 0.0389093 -17.348 0.0351832 TIMING: 1434600 CPU: 4480.96, 0.0031203/step Wall: 4480.96, 0.0031203/step, 3.09031 hours remaining, 235.023438 MB of memory in use. ENERGY: 1434600 3999.0389 20532.6085 14350.6292 253.8928 -203067.0544 2757.6928 0.0000 0.0000 51792.1454 -109381.0467 297.6502 -161173.1921 -109027.6102 298.8620 253.8050 282.6710 764927.9388 -10.5171 -10.3116 PRESSURE: 1434800 -357.335 225.904 -8.33311 225.904 -149.711 206.671 -8.33229 206.671 354.143 GPRESSURE: 1434800 -347.561 188.598 38.7732 167.759 -70.4193 225.097 -37.908 120.075 349.154 PRESSAVG: 1434800 10.2642 22.2535 59.9756 22.2536 -3.08505 5.78074 59.9756 5.78083 8.20958 GPRESSAVG: 1434800 9.24323 23.4571 60.3461 21.6181 -3.27444 5.18869 61.4821 4.79353 9.5822 TIMING: 1434800 CPU: 4481.59, 0.00312034/step Wall: 4481.59, 0.00312034/step, 3.09018 hours remaining, 235.023438 MB of memory in use. ENERGY: 1434800 3956.2228 20455.8747 14353.9303 230.7841 -203235.6125 2896.5072 0.0000 0.0000 52102.4377 -109239.8556 299.4334 -161342.2934 -108863.6420 299.0629 -50.9676 -22.9421 763663.5866 5.1296 5.1837 PRESSURE: 1435000 207.667 -73.928 -26.9508 -73.9282 127.877 351.034 -26.9498 351.034 174.009 GPRESSURE: 1435000 235.524 -76.5594 -9.26508 -105.449 221.39 232.384 68.4289 239.93 148.428 PRESSAVG: 1435000 13.1529 -18.0839 21.1394 -18.0838 -8.51031 52.7842 21.1394 52.7842 -19.6798 GPRESSAVG: 1435000 13.2264 -17.792 21.0026 -17.3615 -7.45232 53.3551 19.4265 53.0291 -20.9483 TIMING: 1435000 CPU: 4482.21, 0.00311687/step Wall: 4482.21, 0.00311687/step, 3.08657 hours remaining, 235.023438 MB of memory in use. ENERGY: 1435000 3963.5844 20406.3488 14406.7833 245.2481 -203024.4969 2753.9785 0.0000 0.0000 52184.8773 -109063.6765 299.9072 -161248.5539 -108691.9905 299.0506 169.8507 201.7807 762420.4973 -5.0124 -5.0581 PRESSURE: 1435200 122.482 -232.896 164.389 -232.896 -482.372 -13.3038 164.389 -13.3031 -17.1194 GPRESSURE: 1435200 83.1897 -82.5355 129.419 -199.915 -306.058 8.19372 94.8631 -46.5894 -57.0337 PRESSAVG: 1435200 27.5573 -3.13632 25.7629 -3.13635 -26.2831 56.8654 25.7629 56.8655 -11.0928 GPRESSAVG: 1435200 27.7987 -6.10317 25.6514 -1.56024 -27.1937 56.4899 28.1094 56.9753 -10.5846 TIMING: 1435200 CPU: 4482.84, 0.00312041/step Wall: 4482.84, 0.00312041/step, 3.0899 hours remaining, 235.023438 MB of memory in use. ENERGY: 1435200 3953.9002 20685.4759 14371.1122 245.9050 -202866.6351 2608.5788 0.0000 0.0000 52104.4717 -108897.1913 299.4451 -161001.6631 -108530.0728 299.5461 -125.6696 -93.3006 765548.9322 -3.2729 -3.3265 PRESSURE: 1435400 -255.389 -181.113 10.3262 -181.113 64.3654 35.4204 10.3267 35.4204 -221.999 GPRESSURE: 1435400 -211.834 -184.784 -1.95727 -124.652 22.1188 76.1326 46.3211 22.8661 -136.653 PRESSAVG: 1435400 15.0131 15.3133 -60.0877 15.3133 -64.9402 37.6363 -60.0876 37.6363 14.1124 GPRESSAVG: 1435400 15.6881 18.2415 -60.3624 14.1333 -65.3473 38.1421 -60.0223 37.1668 14.3145 TIMING: 1435400 CPU: 4483.46, 0.00312331/step Wall: 4483.46, 0.00312331/step, 3.0926 hours remaining, 235.023438 MB of memory in use. ENERGY: 1435400 4053.7147 20530.2722 14316.6035 250.6325 -202939.1385 2612.5442 0.0000 0.0000 52174.6899 -109000.6816 299.8487 -161175.3715 -108636.1485 299.4461 -137.6743 -108.7896 763717.2992 -11.9382 -11.7816 PRESSURE: 1435600 -288.718 26.1453 -103.85 26.1446 -318.752 -143.598 -103.851 -143.598 -464.973 GPRESSURE: 1435600 -269.018 124.706 -129.055 31.5095 -234.759 -88.3888 -70.1773 27.8894 -488.283 PRESSAVG: 1435600 37.9236 11.5471 2.75516 11.5471 -16.9681 -11.5056 2.75516 -11.5056 19.8916 GPRESSAVG: 1435600 38.275 10.6763 4.62594 10.2507 -17.3267 -12.2488 0.970785 -9.99792 20.2586 TIMING: 1435600 CPU: 4484.08, 0.00311883/step Wall: 4484.08, 0.00311883/step, 3.08799 hours remaining, 235.023438 MB of memory in use. ENERGY: 1435600 4042.5833 20520.0475 14463.4426 226.8750 -202915.2539 2634.7610 0.0000 0.0000 52006.6558 -109020.8886 298.8830 -161027.5445 -108659.2654 299.5353 -357.4808 -330.6868 763959.9756 13.6157 13.7357 PRESSURE: 1435800 -596.046 -158.095 308.584 -158.094 165.607 -203.572 308.583 -203.571 -274.672 GPRESSURE: 1435800 -537.163 -189.252 329.077 -51.8127 121.189 -232.289 256.489 -191.133 -214.176 PRESSAVG: 1435800 11.0991 32.1204 5.07662 32.1204 -43.4579 -20.2595 5.0766 -20.2596 0.0393203 GPRESSAVG: 1435800 9.4698 31.4147 4.61257 36.0623 -42.0333 -19.7343 5.34627 -20.0405 0.292309 TIMING: 1435800 CPU: 4484.71, 0.00311086/step Wall: 4484.71, 0.00311086/step, 3.07992 hours remaining, 235.023438 MB of memory in use. ENERGY: 1435800 3937.9213 20600.9644 14395.2571 236.1780 -203083.2195 2673.1147 0.0000 0.0000 52043.2905 -109196.4936 299.0935 -161239.7841 -108835.8949 299.2816 -235.0372 -210.0500 762522.3473 -10.7732 -10.7571 PRESSURE: 1436000 181.294 29.8827 -68.2401 29.8827 268.972 89.9121 -68.2416 89.911 253.281 GPRESSURE: 1436000 214.071 -26.9203 -150.712 25.5529 328.097 108.151 -103.812 151.58 252.522 PRESSAVG: 1436000 -18.0363 28.2283 13.0711 28.2283 15.1047 8.20389 13.0711 8.20386 17.3236 GPRESSAVG: 1436000 -16.1778 31.2508 12.3254 22.3812 15.4795 8.21939 12.1766 7.79513 15.7342 TIMING: 1436000 CPU: 4485.33, 0.00310711/step Wall: 4485.33, 0.00310711/step, 3.07604 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1436000 3924.1352 20582.6789 14422.1229 234.9380 -203670.7869 3166.0086 0.0000 0.0000 52188.0218 -109152.8815 299.9253 -161340.9033 -108789.9321 299.2691 234.5159 264.8967 761615.4875 4.7973 5.0120 PRESSURE: 1436200 27.522 -149.962 -101.571 -149.963 374.669 235.603 -101.572 235.602 103.866 GPRESSURE: 1436200 135.442 -99.2996 -167.779 -99.3429 298.891 239.643 -13.5066 39.1203 174.934 PRESSAVG: 1436200 -46.7766 -5.09937 -42.4924 -5.0994 96.6465 -17.9556 -42.4924 -17.9556 -15.3605 GPRESSAVG: 1436200 -47.5041 -6.02559 -43.4974 -3.53136 95.4866 -16.0449 -41.4519 -19.1894 -13.3541 TIMING: 1436200 CPU: 4485.95, 0.0031133/step Wall: 4485.95, 0.0031133/step, 3.082 hours remaining, 235.023438 MB of memory in use. ENERGY: 1436200 3898.5833 20581.5154 14414.6630 266.9326 -203379.2585 2998.3664 0.0000 0.0000 51802.5564 -109416.6414 297.7100 -161219.1978 -109069.1315 298.9646 168.6856 203.0890 762076.0659 11.5031 11.5428 LDB: ============= START OF LOAD BALANCING ============== 4498.43 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4498.43 LDB: =============== DONE WITH MIGRATION ================ 4498.43 LDB: ============= START OF LOAD BALANCING ============== 4498.74 LDB: Largest compute 7052 load 0.031385 is 16.1% of average load 0.195059 LDB: Average compute 0.004370 is 2.2% of average load 0.195059 LDB: TIME 4498.75 LOAD: AVG 0.195059 MAX 0.214878 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.309 MB LDB: TIME 4498.75 LOAD: AVG 0.195059 MAX 0.214878 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.309 MB LDB: TIME 4498.75 LOAD: AVG 0.195059 MAX 0.214878 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.309 MB LDB: ============== END OF LOAD BALANCING =============== 4498.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4498.75 PRESSURE: 1436400 75.3669 -62.0752 215.248 -62.0743 162.903 -88.3523 215.247 -88.3513 -246.039 GPRESSURE: 1436400 166.221 59.3462 240.506 -108.299 180.523 -135.706 301.426 92.0579 -264.311 PRESSAVG: 1436400 32.3474 41.5781 -27.8734 41.5781 -26.3993 -59.7769 -27.8734 -59.7768 9.58511 GPRESSAVG: 1436400 32.8367 41.6281 -26.438 42.9885 -25.9407 -63.1142 -25.9248 -58.5671 8.74496 TIMING: 1436400 CPU: 4486.59, 0.00318224/step Wall: 4486.59, 0.00318224/step, 3.15007 hours remaining, 233.339844 MB of memory in use. ENERGY: 1436400 3954.6505 20492.7779 14464.8307 233.6607 -203179.8329 2809.9224 0.0000 0.0000 51939.2197 -109284.7710 298.4954 -161223.9907 -108919.5041 298.6416 -2.5897 27.4777 760801.4334 5.1777 5.2136 PRESSURE: 1436600 190.778 126.574 100.608 126.574 -31.9557 -120.535 100.608 -120.535 -110.042 GPRESSURE: 1436600 181.379 254.098 1.93578 158.458 81.3322 -9.76782 70.4854 -100.283 -126.501 PRESSAVG: 1436600 57.3231 -9.00379 6.37741 -9.0038 -36.1167 0.113213 6.37739 0.113204 10.016 GPRESSAVG: 1436600 57.1636 -7.56902 4.74072 -9.11532 -36.204 1.4152 6.50641 -0.36055 10.0536 TIMING: 1436600 CPU: 4487.21, 0.00313061/step Wall: 4487.21, 0.00313061/step, 3.09878 hours remaining, 233.339844 MB of memory in use. ENERGY: 1436600 3935.6417 20582.5928 14371.8425 230.4805 -203137.4937 2768.6399 0.0000 0.0000 52018.3920 -109229.9043 298.9504 -161248.2963 -108878.2386 298.6959 16.2600 45.4034 762321.0741 10.4075 10.3377 PRESSURE: 1436800 43.5524 213.284 72.4516 213.285 -349.694 -187.759 72.4505 -187.76 207.626 GPRESSURE: 1436800 51.6743 141.537 134.539 170.248 -299.322 -228.255 73.6273 -184.513 240.284 PRESSAVG: 1436800 -8.60283 1.65457 35.1194 1.6546 -44.0458 -22.6259 35.1194 -22.6259 -5.00382 GPRESSAVG: 1436800 -9.60996 -1.41886 35.7653 2.31193 -43.4025 -22.3818 33.0049 -21.1398 -5.13386 TIMING: 1436800 CPU: 4487.84, 0.00313351/step Wall: 4487.84, 0.00313351/step, 3.10148 hours remaining, 233.339844 MB of memory in use. ENERGY: 1436800 3997.0188 20537.3326 14452.6514 246.9260 -203117.6423 2536.6457 0.0000 0.0000 51973.7710 -109373.2968 298.6940 -161347.0678 -109012.8042 298.7990 -32.8384 -2.4547 761958.0384 -19.2175 -19.3821 PRESSURE: 1437000 63.8666 139.674 0.982203 139.675 -23.4325 173.216 0.982333 173.216 41.0658 GPRESSURE: 1437000 38.5743 74.2878 58.3175 63.4071 49.8885 181.89 85.8864 90.8326 80.8706 PRESSAVG: 1437000 70.5843 -20.6522 -3.02098 -20.6521 -42.6996 -21.4447 -3.02101 -21.4447 2.57365 GPRESSAVG: 1437000 70.9416 -19.5421 -2.13871 -21.7175 -43.4637 -22.7969 -1.23582 -22.9374 2.61696 TIMING: 1437000 CPU: 4488.47, 0.00314217/step Wall: 4488.47, 0.00314217/step, 3.10988 hours remaining, 233.339844 MB of memory in use. ENERGY: 1437000 3928.5363 20426.3898 14406.7327 253.9830 -203256.9244 2588.6143 0.0000 0.0000 52139.1437 -109513.5246 299.6444 -161652.6683 -109152.2769 298.4213 27.1666 56.4445 762028.7964 10.1528 10.0316 PRESSURE: 1437200 0.649472 1.52702 -183.27 1.52674 316.727 -162.071 -183.27 -162.07 110.771 GPRESSURE: 1437200 52.8149 20.4166 -100.463 49.672 330.726 -154.667 -30.4429 -90.1148 125.561 PRESSAVG: 1437200 -1.82853 41.4362 -29.6262 41.4362 17.8065 -46.4576 -29.6262 -46.4577 -14.9717 GPRESSAVG: 1437200 -1.0246 41.0661 -30.4914 42.7597 17.0845 -45.4567 -29.0143 -46.8885 -15.3541 TIMING: 1437200 CPU: 4489.09, 0.00312169/step Wall: 4489.09, 0.00312169/step, 3.08944 hours remaining, 233.339844 MB of memory in use. ENERGY: 1437200 3961.5701 20468.3220 14405.1419 238.6858 -203221.9893 2867.6434 0.0000 0.0000 51944.9216 -109335.7045 298.5282 -161280.6260 -108988.3172 298.4670 142.7158 169.7008 762319.4436 0.3354 0.2353 PRESSURE: 1437400 -252.538 68.4348 214.425 68.4346 -111.585 -6.48464 214.426 -6.48403 48.4689 GPRESSURE: 1437400 -266.753 -37.7042 162.588 -56.1662 -84.2813 -4.56094 214.207 -58.453 118.083 PRESSAVG: 1437400 -29.4793 13.057 12.5414 13.057 15.4895 -12.5261 12.5414 -12.5261 -6.65164 GPRESSAVG: 1437400 -29.5301 11.7898 13.9372 11.247 14.9424 -11.4089 9.67469 -12.4244 -6.50599 TIMING: 1437400 CPU: 4489.72, 0.0031147/step Wall: 4489.72, 0.0031147/step, 3.08234 hours remaining, 233.339844 MB of memory in use. ENERGY: 1437400 3997.2341 20465.7934 14381.4403 239.1907 -203480.9945 2953.8263 0.0000 0.0000 52004.3754 -109439.1342 298.8699 -161443.5096 -109077.9938 298.6035 -105.2182 -77.6507 762081.8032 -6.8805 -7.0312 PRESSURE: 1437600 -208.598 -29.0104 -38.6138 -29.0111 -35.6448 150.222 -38.6141 150.222 -101.405 GPRESSURE: 1437600 -246.145 -41.408 -30.8493 31.5093 21.9819 159.84 41.2651 45.2859 -20.227 PRESSAVG: 1437600 40.6532 -43.3412 24.5699 -43.3412 -16.3109 7.04843 24.57 7.04839 3.12835 GPRESSAVG: 1437600 40.6345 -41.6845 23.5388 -41.8491 -16.8999 6.38202 26.0076 7.61292 3.57327 TIMING: 1437600 CPU: 4490.34, 0.0031153/step Wall: 4490.34, 0.0031153/step, 3.08276 hours remaining, 233.339844 MB of memory in use. ENERGY: 1437600 3996.0313 20190.2264 14473.7731 231.3248 -203129.8626 2530.7897 0.0000 0.0000 52401.5932 -109306.1241 301.1527 -161707.7173 -108933.3780 299.0409 -115.2160 -81.4633 763393.1341 9.1569 9.1026 PRESSURE: 1437800 262.026 -145.032 -56.4926 -145.032 -88.3086 220.547 -56.4931 220.547 36.1953 GPRESSURE: 1437800 237.922 -181.176 -28.1857 -77.6872 45.6562 182.58 -24.9191 137.34 5.57747 PRESSAVG: 1437800 31.1012 21.7438 69.6859 21.7438 -35.4603 -24.955 69.6859 -24.9551 7.14758 GPRESSAVG: 1437800 30.423 20.8686 71.0345 23.0525 -34.8924 -25.8876 68.0564 -25.488 7.21373 TIMING: 1437800 CPU: 4490.96, 0.00310536/step Wall: 4490.96, 0.00310536/step, 3.07275 hours remaining, 233.339844 MB of memory in use. ENERGY: 1437800 3992.0985 20466.2392 14449.7516 265.7157 -203060.4386 2620.2219 0.0000 0.0000 51992.8151 -109273.5966 298.8034 -161266.4117 -108923.2294 298.8237 69.9708 96.3854 761741.3929 0.9295 0.9148 PRESSURE: 1438000 41.255 140.225 76.8317 140.225 -318.078 -93.6485 76.8328 -93.6477 -237.426 GPRESSURE: 1438000 34.3305 83.1659 3.89712 53.0054 -149.262 -145.308 75.1971 -214.21 -324.557 PRESSAVG: 1438000 1.77137 -11.709 23.1658 -11.709 -25.5922 -67.031 23.1658 -67.031 1.85695 GPRESSAVG: 1438000 2.15658 -10.6633 21.244 -14.4276 -25.6886 -67.8381 22.5527 -68.5055 1.49247 TIMING: 1438000 CPU: 4491.58, 0.00310094/step Wall: 4491.58, 0.00310094/step, 3.06821 hours remaining, 233.339844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1438000 4004.0106 20413.1269 14470.3757 263.8099 -203114.3270 2652.5552 0.0000 0.0000 52060.3712 -109250.0775 299.1917 -161310.4487 -108888.2407 298.8101 -171.4161 -146.4963 763497.5261 -7.3213 -7.3465 PRESSURE: 1438200 -312.179 -171.786 68.4782 -171.786 46.2988 -232.46 68.4774 -232.461 278.009 GPRESSURE: 1438200 -212.155 -123.837 97.7001 -193.882 -4.55705 -250.869 33.6869 -154.281 320.184 PRESSAVG: 1438200 -12.146 42.7778 19.8346 42.7778 -4.03168 -17.6779 19.8346 -17.6779 9.75015 GPRESSAVG: 1438200 -13.3439 43.0094 20.4593 45.7447 -3.89983 -18.3695 20.6083 -12.8789 10.8436 TIMING: 1438200 CPU: 4492.2, 0.00311661/step Wall: 4492.2, 0.00311661/step, 3.08354 hours remaining, 233.339844 MB of memory in use. ENERGY: 1438200 4054.8124 20554.5305 14392.6641 251.1889 -202973.5774 2647.5044 0.0000 0.0000 52001.4695 -109071.4075 298.8532 -161072.8771 -108721.6667 299.4089 4.0429 34.4904 761000.3991 -2.1425 -2.1334 PRESSURE: 1438400 -56.7269 15.0631 251.43 15.062 187.401 0.524093 251.43 0.523832 -14.0535 GPRESSURE: 1438400 78.8582 -66.9899 107.059 -20.689 149.499 -42.2742 309.588 15.0172 -16.7159 PRESSAVG: 1438400 -44.3426 -19.8079 -6.44005 -19.8079 -1.68178 3.14068 -6.44012 3.14065 -28.1386 GPRESSAVG: 1438400 -43.1467 -19.8161 -5.20359 -20.389 -2.22869 4.18731 -7.89265 0.939479 -28.6619 TIMING: 1438400 CPU: 4492.83, 0.00312036/step Wall: 4492.83, 0.00312036/step, 3.08708 hours remaining, 233.339844 MB of memory in use. ENERGY: 1438400 4024.9205 20350.7546 14407.7653 245.5659 -203128.3431 2568.9202 0.0000 0.0000 52327.3898 -109203.0268 300.7262 -161530.4166 -108849.2981 299.0763 38.8737 70.5471 762263.2644 -24.7210 -24.6791 PRESSURE: 1438600 -263.603 -76.4423 74.172 -76.4424 -304.291 238.005 74.172 238.004 -41.1949 GPRESSURE: 1438600 -272.104 -83.1189 100.894 -85.583 -261.557 192.48 -5.50131 262.593 4.74746 PRESSAVG: 1438600 -25.9601 -1.14123 -18.8803 -1.14123 23.8782 56.2543 -18.8803 56.2542 -4.7378 GPRESSAVG: 1438600 -26.2781 -2.31812 -20.3256 -1.96281 24.9447 55.1734 -18.4927 55.6943 -5.07297 TIMING: 1438600 CPU: 4493.45, 0.00313518/step Wall: 4493.45, 0.00313518/step, 3.10157 hours remaining, 233.339844 MB of memory in use. ENERGY: 1438600 4118.7404 20469.5846 14351.3487 259.2828 -202761.8575 2440.1639 0.0000 0.0000 52053.8604 -109068.8768 299.1543 -161122.7372 -108710.8032 299.5552 -203.0296 -176.3043 763277.6909 -2.2732 -2.1355 PRESSURE: 1438800 -39.7621 216.44 -53.5655 216.44 344.157 204.565 -53.5659 204.565 83.5033 GPRESSURE: 1438800 -1.50963 261.889 16.5995 196.051 411.207 148.96 -59.4578 318.925 61.3568 PRESSAVG: 1438800 -25.546 10.7219 -7.20967 10.7219 -10.1592 -34.0768 -7.20968 -34.0768 0.035387 GPRESSAVG: 1438800 -27.3546 12.008 -5.79172 11.2754 -9.03474 -32.4999 -7.17739 -33.9828 0.351879 TIMING: 1438800 CPU: 4494.08, 0.00312086/step Wall: 4494.08, 0.00312086/step, 3.08723 hours remaining, 233.339844 MB of memory in use. ENERGY: 1438800 3894.0351 20484.7001 14400.7060 227.7746 -203149.0431 2638.1900 0.0000 0.0000 52177.8247 -109325.8126 299.8667 -161503.6373 -108954.7794 299.3115 129.2994 157.0181 762005.5897 -11.8899 -12.0125 PRESSURE: 1439000 280.938 125.783 -55.5532 125.783 61.5674 -89.3238 -55.5539 -89.3234 -295.779 GPRESSURE: 1439000 362.041 122.776 -72.8048 131.272 57.6127 -134.867 -12.402 6.17272 -278.475 PRESSAVG: 1439000 33.9358 54.9625 -20.7401 54.9625 9.5499 -9.80977 -20.74 -9.80973 23.8925 GPRESSAVG: 1439000 35.8375 54.9776 -21.7007 54.3809 8.30864 -9.95662 -20.2102 -10.0396 23.6901 TIMING: 1439000 CPU: 4494.7, 0.00312935/step Wall: 4494.7, 0.00312935/step, 3.09545 hours remaining, 233.339844 MB of memory in use. ENERGY: 1439000 4017.5485 20427.1038 14332.1487 250.4523 -203276.2571 2878.8749 0.0000 0.0000 52021.0047 -109349.1241 298.9654 -161370.1288 -108990.4043 299.1938 15.5757 47.0596 760116.1570 22.4594 22.6121 PRESSURE: 1439200 -158.796 -165.248 10.479 -165.247 -265.682 -109.364 10.48 -109.363 -698.672 GPRESSURE: 1439200 -133.598 -128.004 53.7081 -179.164 -276.259 -211.588 11.5501 -71.5251 -613.166 PRESSAVG: 1439200 6.65337 55.4891 -11.6075 55.4891 -17.9986 52.7033 -11.6074 52.7033 -12.7529 GPRESSAVG: 1439200 6.68476 56.6583 -11.8622 54.4368 -18.7757 52.268 -10.1673 51.6759 -11.789 TIMING: 1439200 CPU: 4495.33, 0.00312335/step Wall: 4495.33, 0.00312335/step, 3.08934 hours remaining, 233.339844 MB of memory in use. ENERGY: 1439200 3962.2722 20430.4317 14321.5041 248.7226 -203001.1160 2486.7593 0.0000 0.0000 52233.1283 -109318.2979 300.1845 -161551.4262 -108950.9401 298.5593 -374.3836 -341.0076 763037.5110 -8.0327 -7.9600 PRESSURE: 1439400 256.065 -18.5131 237.576 -18.5135 -175.682 19.7347 237.577 19.7346 6.92412 GPRESSURE: 1439400 258.662 32.7828 157.029 -59.9835 -85.9487 -7.50407 149.509 156.835 -3.27637 PRESSAVG: 1439400 4.74744 44.6465 17.9843 44.6465 25.9962 3.08454 17.9843 3.08451 17.9551 GPRESSAVG: 1439400 4.97868 43.8858 17.8266 45.1334 26.8374 3.91935 17.5673 2.07542 16.778 TIMING: 1439400 CPU: 4495.95, 0.00311814/step Wall: 4495.95, 0.00311814/step, 3.08401 hours remaining, 233.339844 MB of memory in use. ENERGY: 1439400 3958.2942 20487.2759 14365.8670 258.8139 -203327.2917 2994.6979 0.0000 0.0000 52176.7070 -109085.6357 299.8603 -161262.3428 -108724.6318 299.3131 29.1025 56.4789 762390.6844 16.2329 16.1980 PRESSURE: 1439600 229.334 -157.982 -26.712 -157.982 4.0877 141.861 -26.7117 141.862 218.949 GPRESSURE: 1439600 240.329 -145.928 -73.3 -101.402 86.8819 186.455 64.9998 114.276 215.562 PRESSAVG: 1439600 52.7248 -14.0032 -10.197 -14.0032 -8.02268 -11.6353 -10.1971 -11.6353 7.32285 GPRESSAVG: 1439600 53.702 -14.717 -9.77251 -10.948 -8.6509 -12.5846 -9.78591 -8.55586 7.48202 TIMING: 1439600 CPU: 4496.58, 0.00311532/step Wall: 4496.58, 0.00311532/step, 3.08105 hours remaining, 233.339844 MB of memory in use. ENERGY: 1439600 3995.0374 20465.6356 14369.5723 251.8855 -203593.7140 2969.7429 0.0000 0.0000 52502.7190 -109039.1213 301.7338 -161541.8403 -108670.3593 299.7674 150.7902 180.9244 761493.1778 17.3417 17.5110 PRESSURE: 1439800 -254.163 -244.994 -108.242 -244.994 -134.323 -11.4478 -108.242 -11.4462 -27.2797 GPRESSURE: 1439800 -277.304 -228.635 -100.46 -195.911 -129.978 16.7346 -139.022 -74.5851 43.8945 PRESSAVG: 1439800 -39.6415 -36.4988 -4.31918 -36.4987 53.6078 32.6811 -4.31912 32.681 5.10455 GPRESSAVG: 1439800 -41.0452 -36.4553 -3.25175 -39.2331 54.5205 33.3773 -3.69442 32.0541 5.27767 TIMING: 1439800 CPU: 4497.2, 0.00311549/step Wall: 4497.2, 0.00311549/step, 3.08105 hours remaining, 233.339844 MB of memory in use. ENERGY: 1439800 4028.6460 20734.6699 14378.7962 276.0232 -203270.3674 2783.3118 0.0000 0.0000 51961.1380 -109107.7824 298.6214 -161068.9204 -108760.8600 299.3760 -138.5885 -121.1295 765627.9938 6.3570 6.2510 PRESSURE: 1440000 80.1414 -135.922 90.7874 -135.922 36.1528 -27.6706 90.7869 -27.671 -277.128 GPRESSURE: 1440000 100.515 -79.5728 48.052 -123.537 102.303 -23.8935 38.9371 -164.701 -264.32 PRESSAVG: 1440000 4.52509 6.55348 17.2069 6.55344 2.11455 12.6448 17.2069 12.6447 29.7901 GPRESSAVG: 1440000 4.7198 8.12863 17.4757 6.87908 0.972496 13.7072 16.7448 11.7307 30.193 TIMING: 1440000 CPU: 4497.82, 0.00312368/step Wall: 4497.82, 0.00312368/step, 3.08897 hours remaining, 233.339844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1440000 4060.5542 20462.8192 14368.6808 249.9812 -202866.0095 2508.9556 0.0000 0.0000 52045.1271 -109169.8914 299.1041 -161215.0184 -108807.5161 299.1954 -53.6111 -20.5004 762839.3133 12.1432 11.9618 PRESSURE: 1440200 122.239 139.706 -268.913 139.707 -326.85 -92.4208 -268.915 -92.4219 72.0485 GPRESSURE: 1440200 51.751 138.14 -157.078 192.347 -140.418 -84.9947 -225.563 5.35559 52.6999 PRESSAVG: 1440200 -27.5144 -9.74858 -16.8992 -9.74856 38.318 -85.7007 -16.8991 -85.7006 18.0241 GPRESSAVG: 1440200 -27.6282 -12.5493 -16.1325 -10.0274 38.4728 -87.9355 -16.8252 -84.4166 18.4256 TIMING: 1440200 CPU: 4498.45, 0.00311502/step Wall: 4498.45, 0.00311502/step, 3.08024 hours remaining, 233.339844 MB of memory in use. ENERGY: 1440200 3998.0353 20377.6616 14550.0225 265.2856 -202499.5350 2323.5926 0.0000 0.0000 51891.6215 -109093.3158 298.2219 -160984.9373 -108733.5741 299.4115 -44.1875 -11.9892 763705.8960 9.6092 9.7567 LDB: ============= START OF LOAD BALANCING ============== 4510.93 LDB: ============== END OF LOAD BALANCING =============== 4510.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4510.93 LDB: ============= START OF LOAD BALANCING ============== 4511.24 LDB: Largest compute 7052 load 0.029989 is 15.4% of average load 0.195088 LDB: Average compute 0.004366 is 2.2% of average load 0.195088 LDB: TIME 4511.25 LOAD: AVG 0.195088 MAX 0.212678 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.145 MB LDB: TIME 4511.25 LOAD: AVG 0.195088 MAX 0.212678 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.145 MB LDB: TIME 4511.25 LOAD: AVG 0.195088 MAX 0.212678 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.145 MB LDB: ============== END OF LOAD BALANCING =============== 4511.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4511.25 PRESSURE: 1440400 -259.033 -46.8029 242.322 -46.8029 -394.095 -14.9546 242.322 -14.9542 68.3776 GPRESSURE: 1440400 -212.278 20.8252 200.115 77.3734 -337.272 -14.078 129.966 -25.9912 62.6342 PRESSAVG: 1440400 9.4717 -18.5641 4.2544 -18.5641 -18.5126 -0.263161 4.25443 -0.263099 9.96268 GPRESSAVG: 1440400 9.21525 -16.8641 2.62847 -18.7145 -16.8534 1.2547 3.86194 -3.99668 8.755 TIMING: 1440400 CPU: 4499.09, 0.00320198/step Wall: 4499.09, 0.00320198/step, 3.16605 hours remaining, 234.886719 MB of memory in use. ENERGY: 1440400 3999.0977 20337.0259 14417.3824 268.7425 -202318.4686 2245.3205 0.0000 0.0000 52179.6773 -108871.2223 299.8773 -161050.8996 -108514.6651 300.0467 -194.9170 -162.3051 762558.0092 0.3073 0.3723 PRESSURE: 1440600 -49.153 51.8593 -125.828 51.8585 101.588 -259.448 -125.828 -259.449 -5.59634 GPRESSURE: 1440600 51.8209 16.7477 -60.0662 106.95 -3.74384 -200.953 -180.654 -185.356 80.4641 PRESSAVG: 1440600 7.9387 -35.1928 -23.0465 -35.1927 -7.10849 3.23198 -23.0466 3.23202 -9.58994 GPRESSAVG: 1440600 7.13101 -35.1438 -22.9292 -34.8845 -6.87865 2.85858 -22.656 3.96054 -8.91932 TIMING: 1440600 CPU: 4499.71, 0.00312466/step Wall: 4499.71, 0.00312466/step, 3.08942 hours remaining, 234.886719 MB of memory in use. ENERGY: 1440600 3966.3713 20627.0577 14496.3285 260.6672 -203070.2781 2828.1897 0.0000 0.0000 52032.1677 -108859.4960 299.0296 -160891.6637 -108509.1551 300.0169 15.6129 42.8471 761599.4672 -2.9199 -2.8890 PRESSURE: 1440800 41.6228 -254.235 -228.001 -254.235 54.0153 61.4799 -228.001 61.4804 388.421 GPRESSURE: 1440800 75.5151 -216.311 -223.603 -223.711 104.685 62.9519 -73.3017 223.495 384.551 PRESSAVG: 1440800 43.7566 -20.6029 -18.4925 -20.6028 -52.9858 -44.3911 -18.4925 -44.3911 -5.12715 GPRESSAVG: 1440800 45.8309 -20.2495 -19.2631 -20.8334 -54.0796 -45.804 -17.7039 -40.5116 -5.98814 TIMING: 1440800 CPU: 4500.34, 0.00312562/step Wall: 4500.34, 0.00312562/step, 3.09019 hours remaining, 234.886719 MB of memory in use. ENERGY: 1440800 3997.1472 20527.3345 14453.2764 243.2640 -203154.0000 2952.5054 0.0000 0.0000 52007.0067 -108973.4659 298.8850 -160980.4726 -108627.6395 299.4480 161.3530 188.2501 762585.7758 -4.7854 -4.7456 PRESSURE: 1441000 78.1353 155.835 -172.649 155.836 328.441 140.396 -172.649 140.396 236.007 GPRESSURE: 1441000 174.895 110.523 -214.724 104.697 314.915 106.356 -191.176 89.4124 228.465 PRESSAVG: 1441000 4.86102 -34.1066 -53.1647 -34.1066 -2.07281 29.9437 -53.1647 29.9437 7.60111 GPRESSAVG: 1441000 3.50048 -33.0282 -53.5103 -35.8239 -1.66342 31.9525 -55.8423 27.508 8.12599 TIMING: 1441000 CPU: 4500.96, 0.00311847/step Wall: 4500.96, 0.00311847/step, 3.08296 hours remaining, 234.886719 MB of memory in use. ENERGY: 1441000 3941.5438 20558.4803 14398.6105 243.3953 -202947.0173 2776.3586 0.0000 0.0000 51776.0128 -109252.6159 297.5575 -161028.6288 -108904.7048 299.8209 214.1945 239.4250 761156.2924 3.4631 3.3210 PRESSURE: 1441200 -226.175 90.3058 -178.371 90.3055 -202.001 -60.0215 -178.371 -60.0207 303.375 GPRESSURE: 1441200 -198.237 148.239 -156.314 94.4 -126.492 -63.4152 -153.916 111.864 299.665 PRESSAVG: 1441200 54.7835 -13.9638 -45.1151 -13.9638 -29.3504 3.40421 -45.1151 3.40423 4.71233 GPRESSAVG: 1441200 55.1992 -16.1166 -44.1905 -12.6169 -29.8269 1.34619 -42.9701 5.3834 5.06949 TIMING: 1441200 CPU: 4501.58, 0.00310952/step Wall: 4501.58, 0.00310952/step, 3.07393 hours remaining, 234.886719 MB of memory in use. ENERGY: 1441200 3933.1963 20197.0860 14475.8184 228.2509 -203234.6408 2663.6479 0.0000 0.0000 52266.7720 -109469.8693 300.3779 -161736.6413 -109097.1618 299.1224 -41.6004 -8.3545 760890.4215 10.0485 10.1473 PRESSURE: 1441400 117.148 254.797 -57.5876 254.796 238.092 -104.106 -57.5878 -104.106 -281.101 GPRESSURE: 1441400 147.53 275.902 -128.488 148.265 233.932 -125.156 -28.0345 -13.6883 -207.326 PRESSAVG: 1441400 9.94377 -38.616 -7.08484 -38.616 -14.7823 -32.4347 -7.08487 -32.4348 27.3663 GPRESSAVG: 1441400 8.11462 -37.6751 -7.75387 -40.1005 -14.3602 -30.7873 -7.3951 -35.7621 27.9708 TIMING: 1441400 CPU: 4502.2, 0.00310493/step Wall: 4502.2, 0.00310493/step, 3.06922 hours remaining, 234.886719 MB of memory in use. ENERGY: 1441400 3942.6890 20298.8594 14449.1804 236.7147 -203336.3047 2818.9608 0.0000 0.0000 52091.9800 -109497.9202 299.3733 -161589.9002 -109131.5103 298.9945 24.7128 58.0451 761198.3899 7.5092 7.2417 PRESSURE: 1441600 196.415 -6.53256 -54.3405 -6.53309 242.546 -11.5675 -54.3409 -11.5656 177.911 GPRESSURE: 1441600 225.857 -28.2047 -94.7065 34.8289 268.961 -10.5017 -25.0303 -25.2374 187.824 PRESSAVG: 1441600 27.7096 11.4397 18.2213 11.4397 -49.5869 -38.459 18.2213 -38.459 -20.3854 GPRESSAVG: 1441600 29.3992 11.7056 19.0441 12.6031 -49.9804 -39.0817 16.9674 -35.7939 -21.8188 TIMING: 1441600 CPU: 4502.83, 0.00310862/step Wall: 4502.83, 0.00310862/step, 3.0727 hours remaining, 234.886719 MB of memory in use. ENERGY: 1441600 3946.5675 20659.3809 14462.3080 252.4675 -203621.0154 3076.3885 0.0000 0.0000 51516.1959 -109707.7072 296.0643 -161223.9030 -109350.3985 298.8008 205.6238 227.5475 761576.9700 -14.0876 -14.1333 PRESSURE: 1441800 48.9092 93.0032 -108.068 93.0038 236.298 -38.952 -108.067 -38.9522 -136.916 GPRESSURE: 1441800 -26.4776 108.233 -43.4734 60.427 312.091 -41.547 43.0613 -257.079 -55.9297 PRESSAVG: 1441800 -42.9379 -12.477 -30.0253 -12.477 52.464 15.8836 -30.0252 15.8837 -3.7942 GPRESSAVG: 1441800 -42.6427 -14.2889 -30.5235 -10.3016 52.0369 16.6649 -27.1376 13.4508 -4.19418 TIMING: 1441800 CPU: 4503.45, 0.00312145/step Wall: 4503.45, 0.00312146/step, 3.08521 hours remaining, 234.886719 MB of memory in use. ENERGY: 1441800 3995.0332 20653.4006 14462.4382 276.6380 -204030.6633 2932.7639 0.0000 0.0000 52019.0319 -109691.3576 298.9541 -161710.3895 -109333.0526 298.3836 49.4305 76.5612 759755.1746 1.9106 1.7334 PRESSURE: 1442000 -246.871 72.4023 175.99 72.4016 -849.044 6.90019 175.989 6.89944 -130.612 GPRESSURE: 1442000 -177.638 196.941 238.85 114.774 -826.251 -47.8722 63.6202 111.972 -165.094 PRESSAVG: 1442000 32.245 6.88999 -0.75285 6.88997 -16.7754 -15.2074 -0.752917 -15.2074 -7.43866 GPRESSAVG: 1442000 31.2833 9.01711 -0.0294976 4.74963 -16.5595 -16.5443 -0.749834 -13.3672 -7.39306 TIMING: 1442000 CPU: 4504.07, 0.0031022/step Wall: 4504.07, 0.0031022/step, 3.066 hours remaining, 234.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1442000 3975.9637 20506.8485 14442.5368 255.4510 -203388.0546 2565.5428 0.0000 0.0000 52132.5091 -109509.2026 299.6062 -161641.7118 -109138.9341 298.9947 -408.8424 -389.6611 763846.8918 2.6770 2.4436 PRESSURE: 1442200 -291.133 40.4999 76.9765 40.5007 -73.5765 -86.3219 76.9769 -86.3216 -175.524 GPRESSURE: 1442200 -197.822 -50.2666 100.583 91.1833 -120.306 -133.989 104.854 -112.724 -141.252 PRESSAVG: 1442200 58.9313 -33.5333 19.9506 -33.5333 -16.8983 -52.7165 19.9507 -52.7165 20.8178 GPRESSAVG: 1442200 58.2708 -35.1824 20.5221 -30.1979 -17.1271 -53.1106 17.0343 -51.9097 21.7155 TIMING: 1442200 CPU: 4504.69, 0.00310589/step Wall: 4504.69, 0.00310589/step, 3.06948 hours remaining, 234.886719 MB of memory in use. ENERGY: 1442200 3954.8412 20582.7212 14451.7133 244.6459 -203588.0337 2622.3211 0.0000 0.0000 52124.7364 -109607.0547 299.5616 -161731.7911 -109242.4191 299.0211 -180.0780 -153.1266 761555.3240 20.9503 20.9531 PRESSURE: 1442400 -154.308 -15.4071 -104.628 -15.4078 -47.1648 -135.602 -104.628 -135.602 10.8445 GPRESSURE: 1442400 -80.2657 -1.62986 -137.156 -12.5906 -7.1842 -151.392 -64.351 -125.019 -14.862 PRESSAVG: 1442400 -38.5395 -14.2978 33.1432 -14.2978 32.6232 -40.497 33.1432 -40.497 -1.01586 GPRESSAVG: 1442400 -38.2657 -13.8844 33.4288 -19.3977 34.1322 -41.9896 33.2868 -39.5357 -2.21822 TIMING: 1442400 CPU: 4505.31, 0.00310629/step Wall: 4505.31, 0.00310629/step, 3.0697 hours remaining, 234.886719 MB of memory in use. ENERGY: 1442400 4065.2496 20405.1474 14378.1243 255.0889 -203599.0832 2785.9444 0.0000 0.0000 51930.4809 -109779.0477 298.4452 -161709.5286 -109415.8217 298.5472 -63.5429 -34.1040 760951.8252 -2.3107 -2.1172 PRESSURE: 1442600 -17.5604 -93.6188 5.56298 -93.6188 -189.029 -201.25 5.56281 -201.25 29.5747 GPRESSURE: 1442600 25.4679 -123.15 -23.5016 -92.1844 -161.97 -199.865 -167.105 -137.023 36.4549 PRESSAVG: 1442600 -21.358 -32.6152 -1.84417 -32.6152 29.5723 -24.82 -1.84415 -24.82 -6.17325 GPRESSAVG: 1442600 -21.5909 -33.1604 -2.5293 -30.5403 27.4815 -22.0355 -0.136659 -25.7626 -4.27411 TIMING: 1442600 CPU: 4505.93, 0.00311303/step Wall: 4505.93, 0.00311303/step, 3.07619 hours remaining, 234.886719 MB of memory in use. ENERGY: 1442600 4026.9190 20464.2889 14436.7528 252.7004 -203735.9207 2669.4972 0.0000 0.0000 51794.3398 -110091.4226 297.6628 -161885.7624 -109722.2594 298.7352 -59.0049 -33.3490 761387.8076 0.6804 0.5389 PRESSURE: 1442800 215.634 -173.547 -91.3622 -173.547 188.596 -131.058 -91.3613 -131.057 144.383 GPRESSURE: 1442800 229.768 -71.2496 -108.003 -169.419 229.041 -54.6369 -56.7081 -361.83 151.628 PRESSAVG: 1442800 -41.272 7.90854 -33.8301 7.90854 29.5308 -26.2479 -33.83 -26.2478 -9.21469 GPRESSAVG: 1442800 -41.021 7.57546 -34.1392 8.09932 29.5111 -26.5977 -34.4773 -28.7762 -9.82655 TIMING: 1442800 CPU: 4506.56, 0.00311352/step Wall: 4506.56, 0.00311352/step, 3.07651 hours remaining, 234.886719 MB of memory in use. ENERGY: 1442800 3983.6261 20465.3325 14340.0064 262.8525 -203970.7973 2812.6463 0.0000 0.0000 51970.2910 -110136.0423 298.6740 -162106.3334 -109769.3215 297.5810 182.8711 203.4790 761532.8883 -6.9853 -7.1122 PRESSURE: 1443000 -31.6012 29.1997 -174.923 29.2009 -44.1767 -28.1424 -174.922 -28.1424 -532.587 GPRESSURE: 1443000 -22.6203 31.9718 -315.343 120.399 -7.73556 -7.22094 -150.102 17.2851 -506.467 PRESSAVG: 1443000 -17.7286 29.1401 2.86811 29.14 34.0167 -25.5052 2.86806 -25.5052 -11.5997 GPRESSAVG: 1443000 -18.5878 30.1314 1.81989 29.1433 36.0973 -26.1012 3.6972 -22.8158 -13.0006 TIMING: 1443000 CPU: 4507.18, 0.00312738/step Wall: 4507.18, 0.00312739/step, 3.09003 hours remaining, 234.886719 MB of memory in use. ENERGY: 1443000 4014.4487 20536.7095 14381.9454 256.1396 -203827.8079 3001.1092 0.0000 0.0000 51788.0588 -109849.3966 297.6267 -161637.4554 -109498.4695 297.8414 -202.7883 -178.9410 761649.0489 1.5628 1.5030 PRESSURE: 1443200 -89.2351 78.3578 75.1843 78.3583 -260.642 114.185 75.1836 114.185 -265.268 GPRESSURE: 1443200 -89.624 20.1702 166.121 -24.0832 -275.531 136.712 44.9021 39.4002 -177.584 PRESSAVG: 1443200 -22.9851 -6.45521 -8.47912 -6.45526 -32.458 50.6387 -8.47915 50.6386 -24.8702 GPRESSAVG: 1443200 -21.9408 -6.09531 -7.72073 -7.60565 -34.531 50.8739 -11.2609 48.611 -23.7098 TIMING: 1443200 CPU: 4507.81, 0.0031283/step Wall: 4507.81, 0.0031283/step, 3.09076 hours remaining, 234.886719 MB of memory in use. ENERGY: 1443200 4044.4205 20548.3974 14423.6478 265.1957 -203681.3263 2868.3057 0.0000 0.0000 51925.7232 -109605.6360 298.4178 -161531.3592 -109255.0456 298.4901 -205.0486 -180.9132 762993.2183 -26.7711 -26.7272 PRESSURE: 1443400 -199.164 -78.7487 50.2197 -78.7488 -71.7617 2.97935 50.2202 2.97935 -213.578 GPRESSURE: 1443400 -69.4644 -14.848 32.9209 9.41845 -157.844 4.16937 132.496 -48.3953 -165.774 PRESSAVG: 1443400 48.2862 -40.853 11.8493 -40.8531 -20.0235 -6.14989 11.8493 -6.14987 12.1607 GPRESSAVG: 1443400 47.8626 -42.8285 12.7355 -38.9463 -19.3951 -6.95155 13.2428 -5.95899 11.5072 TIMING: 1443400 CPU: 4508.43, 0.00311638/step Wall: 4508.43, 0.00311638/step, 3.07881 hours remaining, 234.886719 MB of memory in use. ENERGY: 1443400 3963.0507 20357.6972 14436.2998 246.7533 -203450.5912 2708.9969 0.0000 0.0000 52017.8449 -109719.9484 298.9473 -161737.7933 -109353.0913 298.8282 -161.5013 -131.0272 762661.6912 13.4745 13.3249 PRESSURE: 1443600 -194.803 -137.249 214.87 -137.249 -425.076 -50.9432 214.87 -50.9441 -232.073 GPRESSURE: 1443600 -101.695 -24.0783 160.236 -56.2689 -408.896 -99.7759 120.069 -189.141 -256.94 PRESSAVG: 1443600 -31.6479 -13.2952 68.3719 -13.2952 20.1568 15.5581 68.3719 15.5582 26.8879 GPRESSAVG: 1443600 -30.9235 -11.0289 68.0865 -15.4778 19.8223 16.6522 68.1546 17.3563 27.3792 TIMING: 1443600 CPU: 4509.06, 0.0031396/step Wall: 4509.06, 0.0031396/step, 3.10157 hours remaining, 234.886719 MB of memory in use. ENERGY: 1443600 4074.4977 20553.2975 14340.8050 255.8546 -203270.2469 2542.6022 0.0000 0.0000 51854.0972 -109649.0927 298.0062 -161503.1899 -109285.4460 298.5961 -283.9838 -255.8436 763912.3284 5.1323 5.4260 PRESSURE: 1443800 8.06624 -7.64744 -198.268 -7.64766 -40.5119 14.368 -198.267 14.3673 244.642 GPRESSURE: 1443800 66.5088 46.153 -217.012 -46.304 -57.5333 -110.28 -150.635 121.869 285.828 PRESSAVG: 1443800 2.6461 -87.3778 -6.7085 -87.3778 23.1769 -25.0035 -6.70854 -25.0035 -17.9334 GPRESSAVG: 1443800 2.50744 -88.2095 -6.60321 -86.5884 22.9612 -26.3266 -7.06873 -24.4609 -17.7231 TIMING: 1443800 CPU: 4509.68, 0.00312488/step Wall: 4509.68, 0.00312488/step, 3.08686 hours remaining, 234.886719 MB of memory in use. ENERGY: 1443800 3984.1716 20757.8399 14347.3781 254.6588 -203692.8778 2860.9560 0.0000 0.0000 51904.4435 -109583.4299 298.2956 -161487.8733 -109217.3446 298.1480 70.7320 98.2679 761759.2650 2.6298 2.5818 PRESSURE: 1444000 -164.255 132.249 -19.0453 132.25 -284.759 64.5899 -19.0451 64.5902 -253.775 GPRESSURE: 1444000 -213.46 117.356 -64.0595 129.362 -196.45 134.389 -93.2678 127.752 -211.821 PRESSAVG: 1444000 7.13137 0.630386 -23.1394 0.630398 -12.071 -3.50731 -23.1394 -3.50723 13.9972 GPRESSAVG: 1444000 7.03848 2.04262 -21.5561 -0.395861 -11.2006 -0.62949 -23.2376 -4.20605 13.53 TIMING: 1444000 CPU: 4510.31, 0.00313641/step Wall: 4510.31, 0.00313641/step, 3.09807 hours remaining, 234.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1444000 3972.4255 20454.2970 14372.0021 259.3444 -203102.2251 2482.9860 0.0000 0.0000 52096.9957 -109464.1744 299.4022 -161561.1701 -109096.3655 298.9669 -234.2627 -207.2437 763219.8722 3.0192 3.1226 PRESSURE: 1444200 -112.341 124.022 98.7802 124.023 -229.927 208.644 98.7804 208.643 143.366 GPRESSURE: 1444200 -111.693 15.5516 1.70957 -58.9506 -134.134 197.819 44.8897 110.112 137.29 PRESSAVG: 1444200 23.4186 21.4518 -25.3271 21.4518 -6.93587 63.7751 -25.327 63.7751 4.14601 GPRESSAVG: 1444200 23.2861 20.4184 -27.0666 22.3542 -6.94029 61.9128 -23.5563 61.1837 4.21183 TIMING: 1444200 CPU: 4510.94, 0.00312885/step Wall: 4510.94, 0.00312885/step, 3.09044 hours remaining, 234.886719 MB of memory in use. ENERGY: 1444200 3972.5556 20634.2185 14376.5462 230.7672 -203361.2440 2589.7541 0.0000 0.0000 51981.9591 -109575.4433 298.7410 -161557.4023 -109217.2074 298.9607 -66.3005 -36.1789 761875.2843 6.8762 6.8525 LDB: ============= START OF LOAD BALANCING ============== 4523.42 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4523.42 LDB: =============== DONE WITH MIGRATION ================ 4523.42 LDB: ============= START OF LOAD BALANCING ============== 4523.73 LDB: Largest compute 7052 load 0.031232 is 16.0% of average load 0.195075 LDB: Average compute 0.004393 is 2.3% of average load 0.195075 LDB: TIME 4523.74 LOAD: AVG 0.195075 MAX 0.216478 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.676 MB LDB: TIME 4523.74 LOAD: AVG 0.195075 MAX 0.216478 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.676 MB LDB: TIME 4523.74 LOAD: AVG 0.195075 MAX 0.216478 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.676 MB LDB: ============== END OF LOAD BALANCING =============== 4523.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4523.74 PRESSURE: 1444400 -226.56 292.131 145.218 292.131 -257.168 -153.621 145.218 -153.621 -457.802 GPRESSURE: 1444400 -248.208 274.626 93.4323 220.713 -176.893 -226.627 119.738 -122.191 -434.697 PRESSAVG: 1444400 12.2077 -3.6521 8.78783 -3.65213 -19.7292 13.2165 8.78782 13.2165 1.62673 GPRESSAVG: 1444400 12.8983 -3.93954 9.08098 -3.58674 -19.982 13.6799 5.67958 14.3635 0.888771 TIMING: 1444400 CPU: 4511.58, 0.00319667/step Wall: 4511.58, 0.00319667/step, 3.15724 hours remaining, 235.214844 MB of memory in use. ENERGY: 1444400 4017.8727 20715.0937 14440.4526 242.4918 -203254.6018 2471.8740 0.0000 0.0000 51788.7496 -109578.0675 297.6307 -161366.8171 -109223.9293 298.2543 -313.8432 -286.5992 762556.0207 -1.9649 -2.0650 PRESSURE: 1444600 348.433 -101.754 -105.12 -101.754 -100.744 -37.8353 -105.12 -37.8342 87.2592 GPRESSURE: 1444600 325.588 -127.274 -88.8327 29.4999 -68.0337 12.1973 -83.3022 41.1967 145.478 PRESSAVG: 1444600 -4.94264 28.3392 -12.871 28.3392 45.2313 -10.7052 -12.8709 -10.7051 0.795636 GPRESSAVG: 1444600 -6.24952 28.9147 -11.4387 27.2183 45.1542 -9.9064 -12.0331 -9.11816 2.2258 TIMING: 1444600 CPU: 4512.2, 0.00312693/step Wall: 4512.2, 0.00312693/step, 3.08819 hours remaining, 235.214844 MB of memory in use. ENERGY: 1444600 3963.6339 20503.2967 14513.0671 239.5192 -203547.9185 2994.8390 0.0000 0.0000 51802.7888 -109530.7738 297.7113 -161333.5626 -109173.0480 298.8960 111.6494 134.3442 762027.9471 13.6948 13.7102 PRESSURE: 1444800 -178.314 26.6061 -15.0911 26.6078 -304.842 -227.811 -15.0907 -227.811 -206.151 GPRESSURE: 1444800 -123.926 93.3191 84.8882 -13.3883 -298.48 -215.989 27.1192 -201.763 -171.036 PRESSAVG: 1444800 31.7282 -14.3789 24.5839 -14.3789 12.1797 10.0201 24.5839 10.0201 -1.75809 GPRESSAVG: 1444800 33.5606 -15.6608 24.1037 -13.0507 10.187 8.72722 24.4414 10.2972 -1.37062 TIMING: 1444800 CPU: 4512.83, 0.00313703/step Wall: 4512.83, 0.00313703/step, 3.09799 hours remaining, 235.214844 MB of memory in use. ENERGY: 1444800 4061.4156 20539.4978 14402.5026 261.7858 -203615.4170 2758.8500 0.0000 0.0000 51978.5492 -109612.8160 298.7214 -161591.3652 -109253.5186 298.4072 -229.7691 -197.8140 762925.0834 14.0499 14.1256 PRESSURE: 1445000 -39.8191 167.187 -95.5522 167.188 -436.149 213.857 -95.5531 213.857 466.322 GPRESSURE: 1445000 -32.5194 140.465 -158.21 120.497 -327.956 322.489 -91.7738 131.419 456.183 PRESSAVG: 1445000 61.513 33.523 -14.1825 33.523 -8.99261 -41.0305 -14.1825 -41.0305 13.7724 GPRESSAVG: 1445000 60.945 34.2185 -15.8555 34.9252 -7.10055 -41.1128 -14.7801 -41.9852 13.0804 TIMING: 1445000 CPU: 4513.46, 0.00313549/step Wall: 4513.46, 0.00313549/step, 3.0963 hours remaining, 235.214844 MB of memory in use. ENERGY: 1445000 3983.5511 20298.8831 14352.5543 253.8446 -203850.4115 2975.1095 0.0000 0.0000 51984.6559 -110001.8129 298.7565 -161986.4689 -109642.6020 297.9481 -3.2153 31.9026 764160.6916 22.0976 22.3083 PRESSURE: 1445200 -81.5679 200.394 96.4109 200.393 6.13352 -63.3643 96.411 -63.3634 45.7278 GPRESSURE: 1445200 -67.4747 65.4478 141.814 124.381 18.8326 -52.8483 -59.5852 -15.5363 100.82 PRESSAVG: 1445200 19.3661 28.2327 3.53734 28.2326 0.419567 -25.4794 3.53732 -25.4793 5.12942 GPRESSAVG: 1445200 19.8598 27.5746 4.17143 27.0368 -0.0715483 -24.6205 6.55241 -25.7132 5.12503 TIMING: 1445200 CPU: 4514.08, 0.00313815/step Wall: 4514.08, 0.00313815/step, 3.09875 hours remaining, 235.214844 MB of memory in use. ENERGY: 1445200 4013.7658 20612.5310 14420.6197 255.2996 -203985.6372 2885.8689 0.0000 0.0000 51860.8286 -109936.7237 298.0449 -161797.5523 -109573.2568 298.1709 -9.9022 17.3927 762694.2373 8.3050 8.3044 PRESSURE: 1445400 102.78 19.2392 102.001 19.2394 214.91 -150.408 102 -150.41 277.529 GPRESSURE: 1445400 63.7495 231.679 88.9725 -51.0554 267.837 -83.4693 32.1314 -166.566 336.573 PRESSAVG: 1445400 12.1769 -45.1691 -20.0194 -45.1691 0.065872 14.4101 -20.0195 14.4101 15.5357 GPRESSAVG: 1445400 13.3645 -45.58 -22.3034 -44.7469 0.391188 12.7114 -21.328 14.8048 14.3235 TIMING: 1445400 CPU: 4514.71, 0.00312364/step Wall: 4514.71, 0.00312364/step, 3.08425 hours remaining, 235.214844 MB of memory in use. ENERGY: 1445400 3928.7058 20522.4603 14347.4675 248.1546 -203800.8487 2967.9579 0.0000 0.0000 51832.2124 -109953.8901 297.8804 -161786.1025 -109588.9162 298.1783 198.4063 222.7197 763403.1181 9.2595 9.3597 PRESSURE: 1445600 -264.772 -59.2109 -45.6306 -59.2113 314.9 24.3349 -45.6303 24.3348 33.3419 GPRESSURE: 1445600 -214.782 -7.51027 -81.295 29.9626 333.1 -55.1319 47.189 38.2109 60.3787 PRESSAVG: 1445600 1.17321 -20.0822 -2.95827 -20.0823 0.601656 -25.8287 -2.9583 -25.8288 13.1436 GPRESSAVG: 1445600 0.807612 -19.2646 -0.479618 -20.3122 -0.185352 -24.3173 -4.00217 -25.5217 13.6918 TIMING: 1445600 CPU: 4515.33, 0.00311363/step Wall: 4515.33, 0.00311363/step, 3.07419 hours remaining, 235.214844 MB of memory in use. ENERGY: 1445600 3952.0674 20437.2363 14412.7038 244.9174 -204056.9400 2994.1990 0.0000 0.0000 52207.2480 -109808.5681 300.0358 -162015.8161 -109436.3098 298.0549 27.8231 59.5657 762858.1930 4.9728 4.7714 PRESSURE: 1445800 91.9798 -33.5109 -252.341 -33.5107 205.022 -86.4711 -252.342 -86.4715 -147.414 GPRESSURE: 1445800 145.137 53.2436 -245.298 -92.3252 247.048 4.24765 -214.776 -237.627 -143.635 PRESSAVG: 1445800 -19.3187 21.6015 -4.68671 21.6014 38.1494 -47.0718 -4.68676 -47.0718 16.371 GPRESSAVG: 1445800 -19.8587 22.7229 -4.78646 21.2148 37.8259 -46.2224 -4.83342 -47.3021 17.414 TIMING: 1445800 CPU: 4515.96, 0.00311672/step Wall: 4515.96, 0.00311672/step, 3.07706 hours remaining, 235.214844 MB of memory in use. ENERGY: 1445800 3996.6975 20428.3566 14392.2834 242.9119 -203722.2192 2929.9324 0.0000 0.0000 52115.4280 -109616.6094 299.5081 -161732.0374 -109234.9507 298.0186 49.8626 82.8501 763424.5540 11.7339 11.7937 PRESSURE: 1446000 -99.2853 -9.82323 -44.4627 -9.82415 193.988 -217.681 -44.4633 -217.682 -359.854 GPRESSURE: 1446000 -93.0776 -27.1256 -5.46226 24.5749 241.033 -165.908 -122.884 -192.985 -307.5 PRESSAVG: 1446000 9.17824 22.0743 16.5358 22.0743 7.38283 -39.1125 16.5359 -39.1125 -21.5767 GPRESSAVG: 1446000 9.0978 20.24 16.0897 22.7542 7.78826 -40.5678 17.1536 -39.7884 -22.0289 TIMING: 1446000 CPU: 4516.58, 0.00311294/step Wall: 4516.58, 0.00311294/step, 3.07317 hours remaining, 235.214844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1446000 4034.4131 20570.5827 14354.0339 267.3089 -203384.5473 2773.3299 0.0000 0.0000 51863.7525 -109521.1265 298.0617 -161384.8790 -109168.6818 298.6322 -88.3836 -53.1815 762380.9694 -1.6719 -1.7143 PRESSURE: 1446200 -36.9229 -11.565 -91.1652 -11.5659 9.56246 -303.393 -91.1663 -303.393 24.292 GPRESSURE: 1446200 5.44222 -33.1195 -86.3324 56.583 51.8087 -238.285 -137.394 -156.6 39.269 PRESSAVG: 1446200 -31.7447 -22.3065 -47.5103 -22.3066 24.5209 4.84893 -47.5102 4.84899 -15.9972 GPRESSAVG: 1446200 -30.9541 -21.37 -48.3153 -22.3936 23.7449 4.48477 -46.9708 7.0441 -16.1895 TIMING: 1446200 CPU: 4517.2, 0.00310999/step Wall: 4517.2, 0.00310999/step, 3.07008 hours remaining, 235.214844 MB of memory in use. ENERGY: 1446200 3962.1983 20387.4874 14444.8572 241.2002 -203482.5312 2863.9280 0.0000 0.0000 51878.7306 -109704.1295 298.1478 -161582.8601 -109337.4858 298.2861 -1.0228 32.1733 761546.5743 -7.7403 -7.7996 PRESSURE: 1446400 -123.927 -51.8179 -190.845 -51.818 -85.2923 -184.812 -190.845 -184.811 -116.023 GPRESSURE: 1446400 -115.956 -20.9966 -40.7124 -37.59 -38.3173 -256.215 -103.142 -90.4842 -75.8541 PRESSAVG: 1446400 -40.193 24.0769 61.7463 24.0768 38.0803 5.85768 61.7463 5.85765 -8.63389 GPRESSAVG: 1446400 -41.8388 23.6028 64.788 25.0876 38.5927 6.898 60.1612 5.75689 -7.00966 TIMING: 1446400 CPU: 4517.83, 0.00314087/step Wall: 4517.83, 0.00314087/step, 3.10039 hours remaining, 235.214844 MB of memory in use. ENERGY: 1446400 3927.3913 20427.7375 14425.1595 256.7034 -203369.1513 2750.8977 0.0000 0.0000 51935.6842 -109645.5777 298.4751 -161581.2619 -109267.8302 297.9122 -108.4141 -76.7092 761765.8269 -3.5822 -3.4186 PRESSURE: 1446600 23.4826 -87.825 233.956 -87.8256 -53.5189 202.128 233.956 202.128 184.962 GPRESSURE: 1446600 27.5802 -131.592 298.479 -146.397 14.8872 162.426 186.098 184.135 200.49 PRESSAVG: 1446600 18.5246 18.4361 4.57903 18.436 -8.879 21.4466 4.579 21.4466 5.56291 GPRESSAVG: 1446600 18.1285 21.3836 1.59037 16.5605 -7.18226 22.5201 6.45149 20.325 3.60193 TIMING: 1446600 CPU: 4518.45, 0.00311398/step Wall: 4518.45, 0.00311398/step, 3.07367 hours remaining, 235.214844 MB of memory in use. ENERGY: 1446600 3910.2827 20560.6710 14425.4785 254.8078 -203328.3285 2669.2614 0.0000 0.0000 51945.4122 -109562.4149 298.5310 -161507.8271 -109192.6471 297.9792 51.6420 80.9857 762092.6379 5.0695 4.8494 PRESSURE: 1446800 -218.535 91.3801 -36.651 91.3805 -79.2799 152.211 -36.6511 152.211 -0.985807 GPRESSURE: 1446800 -112.44 -32.8783 -18.1298 185.312 -115.05 126.29 -45.1708 167.769 11.0456 PRESSAVG: 1446800 5.82728 32.8767 20.9245 32.8767 -15.7143 38.5892 20.9245 38.5893 -5.9765 GPRESSAVG: 1446800 7.30625 31.5999 21.5838 33.1791 -17.2888 35.5428 20.3383 39.9973 -5.74713 TIMING: 1446800 CPU: 4519.08, 0.00312513/step Wall: 4519.08, 0.00312513/step, 3.08451 hours remaining, 235.214844 MB of memory in use. ENERGY: 1446800 3981.2085 20498.2647 14396.3641 248.7201 -203272.5386 2527.2720 0.0000 0.0000 52022.5866 -109598.1226 298.9745 -161620.7092 -109243.6901 298.6405 -99.6003 -72.1481 762277.7975 -5.2879 -5.2432 PRESSURE: 1447000 187.406 80.3051 -22.6301 80.3043 210.832 72.572 -22.6294 72.5718 -138.336 GPRESSURE: 1447000 92.1172 20.5577 -5.4251 29.611 311.616 101.364 -37.5351 48.9448 -46.6405 PRESSAVG: 1447000 32.0627 -31.5135 23.0977 -31.5135 -34.1209 3.94177 23.0977 3.94179 8.17627 GPRESSAVG: 1447000 33.7524 -31.5668 23.9435 -30.4163 -35.6147 4.56957 22.7326 4.05849 7.98986 TIMING: 1447000 CPU: 4519.7, 0.00312645/step Wall: 4519.7, 0.00312645/step, 3.08563 hours remaining, 235.214844 MB of memory in use. ENERGY: 1447000 3984.4389 20528.9021 14359.8903 238.6033 -203672.5331 2921.6369 0.0000 0.0000 52065.3280 -109573.7335 299.2202 -161639.0615 -109215.2008 298.7370 86.6339 119.0309 760004.0441 2.0394 2.0425 PRESSURE: 1447200 257.411 9.42819 131.321 9.42829 164.121 39.3956 131.322 39.3952 241.461 GPRESSURE: 1447200 201.479 -67.1544 105.241 26.0966 224.134 -45.6789 119.298 69.1306 290.601 PRESSAVG: 1447200 33.0228 -39.8605 19.9926 -39.8605 0.119454 14.9047 19.9926 14.9046 40.185 GPRESSAVG: 1447200 31.8206 -37.7696 19.2607 -40.5768 1.08446 14.542 18.8776 12.6507 40.5782 TIMING: 1447200 CPU: 4520.33, 0.00313298/step Wall: 4520.33, 0.00313298/step, 3.0919 hours remaining, 235.214844 MB of memory in use. ENERGY: 1447200 3898.3729 20674.6836 14441.8275 257.0823 -203505.2389 2639.5994 0.0000 0.0000 51901.0147 -109692.6585 298.2758 -161593.6732 -109331.4271 298.5923 220.9976 238.7378 759676.4676 24.4424 24.4944 PRESSURE: 1447400 162.788 -164.058 -105.212 -164.059 -18.8339 -177.569 -105.213 -177.569 184.279 GPRESSURE: 1447400 138.114 -319.035 -95.7683 -166.33 53.2066 -52.5791 -26.3679 -52.0838 223.256 PRESSAVG: 1447400 32.5765 -28.3496 -14.2385 -28.3496 -11.3954 20.4939 -14.2386 20.494 0.407736 GPRESSAVG: 1447400 31.0076 -31.1809 -13.0741 -28.1262 -10.0033 22.416 -13.0445 21.6323 0.348941 TIMING: 1447400 CPU: 4520.95, 0.00312406/step Wall: 4520.95, 0.00312406/step, 3.08293 hours remaining, 235.214844 MB of memory in use. ENERGY: 1447400 3970.9752 20487.0787 14331.8839 271.4273 -203535.0760 2883.7313 0.0000 0.0000 52047.1979 -109542.7816 299.1160 -161589.9795 -109179.3625 298.7484 109.4110 138.1923 759762.8253 7.1963 7.1177 PRESSURE: 1447600 34.859 98.7996 10.8723 98.8002 -373.896 285.834 10.8725 285.834 145.746 GPRESSURE: 1447600 81.7681 51.0208 0.256857 -46.9235 -316.795 253.945 -10.3245 233.881 137.323 PRESSAVG: 1447600 13.0988 15.5619 48.8941 15.5619 45.2555 44.8601 48.8941 44.8601 -8.34142 GPRESSAVG: 1447600 14.1929 17.3691 46.8783 16.9164 44.9602 43.3059 49.0289 44.0236 -9.13628 TIMING: 1447600 CPU: 4521.58, 0.00311829/step Wall: 4521.58, 0.00311829/step, 3.07706 hours remaining, 235.214844 MB of memory in use. ENERGY: 1447600 3991.2711 20526.0721 14377.8855 230.2461 -202751.4329 2314.1930 0.0000 0.0000 51763.7940 -109547.9711 297.4872 -161311.7651 -109185.9642 298.3171 -64.4300 -32.5679 760171.3319 16.6710 16.6723 PRESSURE: 1447800 -215.366 -99.0613 169.148 -99.0609 85.7401 219.995 169.148 219.996 -72.7854 GPRESSURE: 1447800 -166.071 -155.11 179.455 -88.3861 125.27 135.528 226.641 245.88 -79.5935 PRESSAVG: 1447800 58.9605 -40.9582 19.3773 -40.9582 -62.287 16.3005 19.3773 16.3005 -0.965089 GPRESSAVG: 1447800 59.4997 -41.5167 19.6943 -43.2964 -62.4646 15.9389 20.1278 17.073 -1.22138 TIMING: 1447800 CPU: 4522.2, 0.0031159/step Wall: 4522.2, 0.0031159/step, 3.07453 hours remaining, 235.214844 MB of memory in use. ENERGY: 1447800 3862.5292 20635.4790 14444.2579 260.1171 -203060.1596 2449.5676 0.0000 0.0000 52046.1372 -109362.0716 299.1099 -161408.2088 -108994.9941 298.7972 -67.4706 -40.1316 762769.1045 -1.4305 -1.3954 PRESSURE: 1448000 -84.0108 -49.5205 2.9324 -49.5201 -219.378 -13.808 2.93232 -13.8076 380.944 GPRESSURE: 1448000 0.660973 47.3037 -27.1494 -20.4295 -149.787 -16.3429 30.9734 -11.8091 339.562 PRESSAVG: 1448000 36.1722 -11.8352 52.1604 -11.8353 15.1246 -22.9093 52.1603 -22.9095 0.026648 GPRESSAVG: 1448000 35.761 -10.137 52.6732 -13.0584 15.494 -21.7398 52.1686 -21.8154 -0.0655254 TIMING: 1448000 CPU: 4522.82, 0.00311469/step Wall: 4522.82, 0.00311469/step, 3.07316 hours remaining, 235.214844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1448000 3975.9738 20518.3735 14460.2519 244.9247 -203232.8518 2876.2861 0.0000 0.0000 51960.2504 -109196.7914 298.6163 -161157.0419 -108840.9459 299.1877 25.8517 63.4784 761830.8247 17.1078 17.0631 PRESSURE: 1448200 -15.3538 -165.963 -100.097 -165.964 101.486 -302.32 -100.098 -302.321 -222.169 GPRESSURE: 1448200 29.4684 -185.515 -152.952 -132.601 128.96 -307.43 -82.8474 -267.21 -213.411 PRESSAVG: 1448200 -27.4315 -6.28436 -16.7332 -6.28439 14.2642 -0.639434 -16.7332 -0.639414 23.4895 GPRESSAVG: 1448200 -27.9296 -9.17381 -17.5431 -4.17113 13.8723 -1.90208 -14.8946 0.157857 24.1888 TIMING: 1448200 CPU: 4523.45, 0.00312097/step Wall: 4523.45, 0.00312097/step, 3.07918 hours remaining, 235.214844 MB of memory in use. ENERGY: 1448200 3983.9048 20493.8940 14379.2221 244.5981 -203359.7336 2935.4880 0.0000 0.0000 52056.8776 -109265.7490 299.1716 -161322.6266 -108891.5663 299.3513 -45.3455 -18.3275 763853.6233 3.4407 3.3772 LDB: ============= START OF LOAD BALANCING ============== 4535.93 LDB: ============== END OF LOAD BALANCING =============== 4535.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4535.93 LDB: ============= START OF LOAD BALANCING ============== 4536.24 LDB: Largest compute 7052 load 0.030363 is 15.6% of average load 0.195057 LDB: Average compute 0.004375 is 2.2% of average load 0.195057 LDB: TIME 4536.24 LOAD: AVG 0.195057 MAX 0.2133 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.539 MB LDB: TIME 4536.24 LOAD: AVG 0.195057 MAX 0.2133 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.539 MB LDB: TIME 4536.24 LOAD: AVG 0.195057 MAX 0.2133 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.539 MB LDB: ============== END OF LOAD BALANCING =============== 4536.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4536.25 PRESSURE: 1448400 38.0763 -78.1113 233.546 -78.1118 -139.484 -163.297 233.545 -163.297 121.342 GPRESSURE: 1448400 66.5082 -72.8895 365.34 -152.959 -126.764 -160.131 209.61 -227.366 160.541 PRESSAVG: 1448400 0.467216 10.634 18.9925 10.6341 -1.42915 -29.9769 18.9925 -29.9769 -7.07715 GPRESSAVG: 1448400 0.837791 10.9144 19.5919 10.0486 -2.21829 -30.0012 17.9105 -32.0834 -6.86523 TIMING: 1448400 CPU: 4524.09, 0.00319158/step Wall: 4524.09, 0.00319158/step, 3.14868 hours remaining, 234.312500 MB of memory in use. ENERGY: 1448400 3975.5120 20475.6658 14356.0381 257.0262 -203015.6480 2589.8664 0.0000 0.0000 51946.0538 -109415.4857 298.5347 -161361.5395 -109047.4028 298.7389 6.6448 33.4283 763390.8420 -2.6797 -2.7486 PRESSURE: 1448600 -49.8879 -136.222 -96.0528 -136.222 -91.3081 166.743 -96.0526 166.742 -365.1 GPRESSURE: 1448600 -24.0828 -141.799 -66.5672 -60.2597 -95.9084 144.968 43.5966 82.3648 -300.697 PRESSAVG: 1448600 20.4073 0.534455 54.0996 0.534395 -86.3032 -1.64268 54.0996 -1.64271 1.95866 GPRESSAVG: 1448600 19.8357 1.38379 53.6374 -0.0668903 -86.1661 -1.68026 54.9349 -2.40833 2.3109 TIMING: 1448600 CPU: 4524.71, 0.00310774/step Wall: 4524.71, 0.00310774/step, 3.06578 hours remaining, 234.312500 MB of memory in use. ENERGY: 1448600 4010.0070 20743.7243 14372.4261 232.7480 -203287.3614 2678.1223 0.0000 0.0000 51929.9470 -109320.3866 298.4421 -161250.3336 -108970.3516 298.6491 -168.7653 -140.2294 763887.2683 -21.3124 -21.3398 PRESSURE: 1448800 -288.388 29.5573 -63.8443 29.5568 -81.245 -79.3621 -63.8443 -79.3615 -138.7 GPRESSURE: 1448800 -298.494 16.2802 8.38407 20.3636 -77.4996 -89.0918 -242.176 5.32565 -39.0227 PRESSAVG: 1448800 14.6445 -3.89668 19.8543 -3.89667 -71.0153 -60.6155 19.8543 -60.6155 -2.85794 GPRESSAVG: 1448800 14.9834 -2.15528 20.6011 -3.2856 -72.0477 -60.451 18.2004 -58.4502 -2.02447 TIMING: 1448800 CPU: 4525.33, 0.00312501/step Wall: 4525.33, 0.00312501/step, 3.08265 hours remaining, 234.312500 MB of memory in use. ENERGY: 1448800 3948.1234 20623.3826 14428.3954 239.2933 -203004.6429 2579.5590 0.0000 0.0000 52017.7766 -109168.1125 298.9469 -161185.8891 -108799.8086 298.7659 -169.4443 -138.3388 762512.2819 -19.7429 -19.6962 PRESSURE: 1449000 -0.153091 159.935 248.874 159.934 51.224 -99.1875 248.875 -99.1875 240.637 GPRESSURE: 1449000 117.04 38.9664 229.056 159.635 68.9914 -163.505 167.749 -47.9194 200.108 PRESSAVG: 1449000 35.6948 26.1909 33.3453 26.1909 -41.0274 14.8595 33.3453 14.8595 43.0564 GPRESSAVG: 1449000 34.8924 25.6834 33.1037 24.9671 -39.3724 15.0321 33.0459 15.1839 41.9108 TIMING: 1449000 CPU: 4525.95, 0.00310893/step Wall: 4525.95, 0.00310893/step, 3.06662 hours remaining, 234.312500 MB of memory in use. ENERGY: 1449000 4047.6846 20522.1565 14380.3710 250.3088 -203047.4101 2803.6661 0.0000 0.0000 51881.8016 -109161.4215 298.1654 -161043.2232 -108802.3022 299.3070 97.2360 128.7133 762655.6645 12.5746 12.4769 PRESSURE: 1449200 -23.8065 -78.4796 30.8055 -78.48 -15.9417 -36.732 30.8052 -36.731 -239.982 GPRESSURE: 1449200 89.633 27.7463 125.199 -144.442 -51.5909 9.465 -125.427 3.10467 -229.918 PRESSAVG: 1449200 10.6236 13.0903 59.1588 13.0903 -32.4023 -19.5349 59.1589 -19.535 -12.2213 GPRESSAVG: 1449200 11.7855 13.2624 59.5432 13.183 -32.0693 -18.7996 58.0043 -20.6792 -12.9367 TIMING: 1449200 CPU: 4526.58, 0.00314835/step Wall: 4526.58, 0.00314835/step, 3.10532 hours remaining, 234.312500 MB of memory in use. ENERGY: 1449200 4053.8060 20594.9316 14379.4771 276.0563 -203122.5949 2508.6568 0.0000 0.0000 52565.0779 -108744.5893 302.0922 -161309.6672 -108387.2670 299.5429 -93.2435 -63.9587 760869.4535 -11.3333 -11.0735 PRESSURE: 1449400 -186.008 -53.9205 137.715 -53.9205 -28.6383 -99.9217 137.715 -99.9217 -269.64 GPRESSURE: 1449400 -154.861 -92.8136 134.738 49.1791 55.4903 -112.645 106.165 -22.096 -300.049 PRESSAVG: 1449400 80.2774 6.53255 39.4507 6.5325 -6.05919 -19.4661 39.4507 -19.4661 -17.5913 GPRESSAVG: 1449400 79.6029 6.49578 38.622 6.33495 -6.31499 -19.6892 41.2799 -18.3118 -16.8725 TIMING: 1449400 CPU: 4527.21, 0.00311809/step Wall: 4527.21, 0.00311809/step, 3.0753 hours remaining, 234.312500 MB of memory in use. ENERGY: 1449400 4048.2677 20486.0361 14437.3313 239.3172 -202736.8538 2368.8972 0.0000 0.0000 52070.6524 -109086.3518 299.2508 -161157.0042 -108720.5771 299.5017 -161.4289 -133.1400 761518.4531 18.8756 18.8051 PRESSURE: 1449600 -409.88 13.1212 89.286 13.1208 -59.9464 -50.6605 89.2861 -50.6607 -238.295 GPRESSURE: 1449600 -312.266 67.6183 170.062 1.2564 -72.3912 -34.2087 130.086 -30.8676 -262.577 PRESSAVG: 1449600 46.3151 16.1988 51.0318 16.1988 -18.908 -22.2293 51.0318 -22.2294 -11.4375 GPRESSAVG: 1449600 46.5913 14.8529 51.3059 17.9375 -19.0641 -22.1361 49.683 -24.9127 -12.1279 TIMING: 1449600 CPU: 4527.84, 0.00314111/step Wall: 4527.84, 0.00314111/step, 3.09783 hours remaining, 234.312500 MB of memory in use. ENERGY: 1449600 3977.4764 20569.5606 14494.0319 246.8090 -203160.8165 2498.9642 0.0000 0.0000 52194.6656 -109179.3088 299.9635 -161373.9743 -108813.8963 299.5168 -236.0404 -215.7445 761420.9666 5.3232 5.1331 PRESSURE: 1449800 64.7742 -87.1218 12.6841 -87.122 111.477 5.47052 12.6845 5.4695 521.167 GPRESSURE: 1449800 124.216 -42.3829 115.232 -15.4259 152.587 29.0034 17.2348 110.72 492.568 PRESSAVG: 1449800 3.397 -1.24479 43.6949 -1.24474 10.0585 37.1611 43.695 37.1611 3.45651 GPRESSAVG: 1449800 4.48223 -1.1982 42.8894 -1.62754 10.248 36.4251 43.587 37.864 2.47271 TIMING: 1449800 CPU: 4528.46, 0.00312515/step Wall: 4528.46, 0.00312515/step, 3.08192 hours remaining, 234.312500 MB of memory in use. ENERGY: 1449800 3978.2716 20611.9823 14435.6962 256.1195 -203499.2711 2994.2701 0.0000 0.0000 52198.6406 -109024.2909 299.9863 -161222.9314 -108666.7758 299.5574 232.4728 256.4569 762482.5014 5.6373 5.7343 PRESSURE: 1450000 143.33 -47.5344 -139.248 -47.5347 268.839 25.6022 -139.247 25.6025 -265.418 GPRESSURE: 1450000 256.013 -96.6136 -71.8708 -54.7615 261.111 55.1183 -64.4218 77.0047 -272.589 PRESSAVG: 1450000 68.5137 -63.8694 -41.8237 -63.8695 -80.4026 -26.739 -41.8237 -26.739 -7.54955 GPRESSAVG: 1450000 68.6818 -63.7228 -41.1022 -63.1945 -81.2723 -26.4401 -41.3261 -25.8334 -6.36795 TIMING: 1450000 CPU: 4529.09, 0.00313593/step Wall: 4529.09, 0.00313593/step, 3.09238 hours remaining, 234.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1450000 4027.8909 20697.1148 14499.7154 242.1178 -203281.4817 2756.4492 0.0000 0.0000 52026.1348 -109032.0589 298.9949 -161058.1937 -108670.5758 299.7480 48.9172 81.5116 762429.9347 -6.4795 -6.3195 PRESSURE: 1450200 -433.725 317.823 -87.0459 317.823 -631.721 -1.49789 -87.0453 -1.49826 -224.474 GPRESSURE: 1450200 -381.072 353.295 -86.8826 169.445 -617.323 -110.774 -60.8806 90.0965 -187.09 PRESSAVG: 1450200 16.2424 -49.3965 15.2013 -49.3965 -5.78582 20.1253 15.2014 20.1252 3.8037 GPRESSAVG: 1450200 15.7809 -50.1787 15.8231 -48.9761 -6.10982 19.7622 15.7936 20.8233 4.52399 TIMING: 1450200 CPU: 4529.71, 0.00312511/step Wall: 4529.71, 0.00312511/step, 3.08153 hours remaining, 234.312500 MB of memory in use. ENERGY: 1450200 3988.6156 20488.8675 14474.7446 251.6298 -202748.8658 2353.7238 0.0000 0.0000 52036.5470 -109154.7375 299.0548 -161191.2846 -108794.2271 299.3936 -429.9733 -395.1616 763375.3533 4.7534 4.7317 PRESSURE: 1450400 -356.686 137.426 230.816 137.426 -154.581 128.878 230.816 128.879 -42.7172 GPRESSURE: 1450400 -413.344 118.642 203.308 85.2037 -155.86 91.008 104.927 123.67 109.868 PRESSAVG: 1450400 -18.6451 -25.7397 45.4026 -25.7396 -34.5786 -28.8178 45.4025 -28.8178 25.7925 GPRESSAVG: 1450400 -19.3676 -23.3918 44.3438 -28.6954 -34.0095 -28.0599 44.3106 -29.9032 26.103 TIMING: 1450400 CPU: 4530.34, 0.00313225/step Wall: 4530.34, 0.00313225/step, 3.0884 hours remaining, 234.312500 MB of memory in use. ENERGY: 1450400 4002.5650 20384.1769 14422.8899 268.4914 -202787.7218 2424.2624 0.0000 0.0000 52122.6648 -109162.6714 299.5497 -161285.3362 -108802.0329 298.7476 -184.6614 -153.1119 765449.6723 -9.1437 -9.0914 PRESSURE: 1450600 51.3401 -18.4253 -149.344 -18.4259 -47.4077 -390.106 -149.345 -390.105 -151.872 GPRESSURE: 1450600 -11.5842 2.79769 -208.53 4.8714 13.9822 -436.684 -115.122 -440.499 -89.1129 PRESSAVG: 1450600 -9.57856 8.40981 23.4501 8.40975 -10.492 0.371041 23.4501 0.371 -2.35481 GPRESSAVG: 1450600 -8.08856 5.45104 24.2553 11.1485 -10.558 0.971839 22.095 0.719043 -3.85277 TIMING: 1450600 CPU: 4530.96, 0.00310319/step Wall: 4530.96, 0.00310319/step, 3.05957 hours remaining, 234.312500 MB of memory in use. ENERGY: 1450600 3976.8686 20496.6691 14434.0796 254.2612 -203491.2277 2970.6430 0.0000 0.0000 52151.3636 -109207.3426 299.7146 -161358.7062 -108836.3975 298.8429 -49.3131 -28.9050 762941.3044 -7.4751 -7.4998 PRESSURE: 1450800 120.991 -99.7757 73.8219 -99.7764 -515.935 -43.4397 73.822 -43.4408 257.317 GPRESSURE: 1450800 40.859 -110.772 63.1219 -17.8593 -376.891 15.2674 45.6474 -74.7488 275.445 PRESSAVG: 1450800 19.9853 14.4634 1.07151 14.4634 35.2721 -27.273 1.07152 -27.273 24.9706 GPRESSAVG: 1450800 18.5669 15.5981 0.373325 13.72 36.3287 -27.4749 3.79789 -28.3792 25.3243 TIMING: 1450800 CPU: 4531.58, 0.00311311/step Wall: 4531.58, 0.00311311/step, 3.06918 hours remaining, 234.312500 MB of memory in use. ENERGY: 1450800 4001.8852 20435.9484 14478.6786 252.3447 -203242.6268 2586.7357 0.0000 0.0000 52387.8206 -109099.2136 301.0735 -161487.0342 -108731.1996 299.3326 -45.8757 -20.1955 762036.2452 26.7426 26.7399 PRESSURE: 1451000 -187.926 -77.0072 86.5396 -77.0073 20.8314 -7.55832 86.5392 -7.55884 189.823 GPRESSURE: 1451000 -119.664 -200.101 120.829 -74.8466 53.0562 -56.8467 64.9217 -72.2797 171.844 PRESSAVG: 1451000 -13.3419 -2.28244 12.3892 -2.28244 -21.6802 -30.2147 12.3892 -30.2148 31.5774 GPRESSAVG: 1451000 -13.2884 -2.83535 12.9296 0.151659 -23.072 -30.314 11.5217 -30.0084 33.1908 TIMING: 1451000 CPU: 4532.21, 0.00311593/step Wall: 4532.21, 0.00311593/step, 3.07179 hours remaining, 234.312500 MB of memory in use. ENERGY: 1451000 4007.4752 20435.8970 14432.6749 236.5864 -203266.4577 2688.1143 0.0000 0.0000 52423.0060 -109042.7039 301.2757 -161465.7099 -108672.1834 299.2395 7.5762 35.0789 762398.0999 -1.1482 -1.0566 PRESSURE: 1451200 -190.429 115.003 238.479 115.003 158.23 126.213 238.479 126.213 -85.0993 GPRESSURE: 1451200 -114.667 154.812 292.278 -38.7509 98.2683 88.554 269.717 65.8001 -0.168188 PRESSAVG: 1451200 -16.3878 33.5508 46.8304 33.5508 -63.0763 30.4906 46.8304 30.4906 8.98571 GPRESSAVG: 1451200 -16.0007 33.5349 47.2438 31.8771 -63.0819 28.9705 47.5025 31.2631 9.26228 TIMING: 1451200 CPU: 4532.83, 0.00312136/step Wall: 4532.83, 0.00312136/step, 3.07697 hours remaining, 234.312500 MB of memory in use. ENERGY: 1451200 4016.8639 20518.5962 14415.6911 249.3054 -203216.4828 2959.2624 0.0000 0.0000 51952.8644 -109103.8995 298.5738 -161056.7639 -108746.2632 299.6856 -39.0995 -5.5222 763667.3470 -23.4928 -23.2735 PRESSURE: 1451400 260.039 5.79942 72.7611 5.79923 -9.45536 81.2475 72.7611 81.2478 122.957 GPRESSURE: 1451400 252.473 58.5443 120.4 24.1461 -8.61466 132.654 -31.5655 105.469 216.993 PRESSAVG: 1451400 4.50787 -46.4065 31.4147 -46.4065 -7.08712 24.1695 31.4147 24.1695 7.15298 GPRESSAVG: 1451400 4.83026 -44.9001 30.8826 -46.0503 -6.60352 25.5389 33.5642 24.0952 6.36196 TIMING: 1451400 CPU: 4533.46, 0.00313163/step Wall: 4533.46, 0.00313163/step, 3.08691 hours remaining, 234.312500 MB of memory in use. ENERGY: 1451400 3967.4570 20448.7255 14440.7629 273.5274 -203472.8071 2909.2390 0.0000 0.0000 52207.0950 -109226.0003 300.0349 -161433.0953 -108869.3175 299.5951 124.5135 153.6172 761867.3946 1.5246 1.5296 PRESSURE: 1451600 -248.32 -48.392 -26.526 -48.3919 166.787 23.9548 -26.5255 23.9546 503.057 GPRESSURE: 1451600 -128.575 -106.535 9.61453 -74.1285 63.9157 -45.4133 -23.7798 205.52 558.261 PRESSAVG: 1451600 63.8214 -34.3479 36.2949 -34.3479 -62.8574 -31.4341 36.295 -31.434 1.92087 GPRESSAVG: 1451600 63.9587 -36.4041 36.1255 -34.2143 -63.0691 -32.7397 35.3457 -31.4867 1.70465 TIMING: 1451600 CPU: 4534.08, 0.00311625/step Wall: 4534.08, 0.00311625/step, 3.07159 hours remaining, 234.312500 MB of memory in use. ENERGY: 1451600 3919.7651 20469.3328 14297.2034 237.7294 -203075.7919 2665.3203 0.0000 0.0000 52065.4726 -109420.9682 299.2210 -161486.4408 -109049.4108 299.5510 140.5080 164.5340 761993.7827 0.9616 0.8648 PRESSURE: 1451800 -25.8492 -59.6435 138.052 -59.6425 -27.6528 4.47188 138.052 4.47143 -142.515 GPRESSURE: 1451800 7.4712 -82.6391 113.432 -136.5 38.9603 15.192 187.754 133.668 -169.675 PRESSAVG: 1451800 8.78382 -13.8997 57.8508 -13.8996 10.0096 -32.0891 57.8507 -32.0891 -18.2826 GPRESSAVG: 1451800 8.04455 -11.6352 57.6687 -15.882 10.7859 -30.3266 57.9217 -32.7358 -17.6634 TIMING: 1451800 CPU: 4534.7, 0.00310665/step Wall: 4534.7, 0.00310665/step, 3.06195 hours remaining, 234.312500 MB of memory in use. ENERGY: 1451800 4023.5634 20504.7313 14438.5114 260.7564 -203669.1610 2890.7763 0.0000 0.0000 52218.1601 -109332.6622 300.0985 -161550.8222 -108974.1210 299.0738 -65.3389 -41.0810 763914.4835 0.1703 0.3890 PRESSURE: 1452000 -31.1705 110.619 129.088 110.619 102.849 22.5113 129.089 22.5113 165.973 GPRESSURE: 1452000 96.1975 165.892 113.606 52.1401 45.9674 -38.1201 55.5317 81.8608 169.118 PRESSAVG: 1452000 27.8817 -24.8876 51.2362 -24.8876 -7.5461 -38.0169 51.2362 -38.0169 6.82242 GPRESSAVG: 1452000 28.6123 -25.3498 51.1032 -21.3206 -7.70553 -38.0437 49.2788 -38.8138 6.42784 TIMING: 1452000 CPU: 4535.33, 0.00313337/step Wall: 4535.33, 0.00313337/step, 3.08811 hours remaining, 234.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1452000 3981.8113 20548.2972 14417.6514 252.9958 -203175.2840 2907.1048 0.0000 0.0000 51800.5135 -109266.9100 297.6983 -161067.4236 -108910.5015 299.2155 79.2173 103.7610 764316.6584 9.0527 9.1115 PRESSURE: 1452200 -210.482 -10.4947 124.856 -10.495 -68.3344 -204.789 124.856 -204.789 -385.34 GPRESSURE: 1452200 -215.531 -105.878 95.0826 124.871 -42.6657 -265.012 286.945 -81.5608 -324.452 PRESSAVG: 1452200 59.2325 47.6355 -6.71755 47.6355 -54.836 8.70254 -6.7176 8.70248 -3.40101 GPRESSAVG: 1452200 59.0054 43.7222 -6.36524 45.6171 -53.5983 8.27264 -6.77313 8.38805 -3.82693 TIMING: 1452200 CPU: 4535.95, 0.00310852/step Wall: 4535.95, 0.00310852/step, 3.06344 hours remaining, 234.312500 MB of memory in use. ENERGY: 1452200 3987.5868 20323.0457 14395.6166 244.6442 -203470.9835 2853.6648 0.0000 0.0000 52285.4550 -109380.9705 300.4852 -161666.4255 -109022.2706 298.9648 -221.3854 -194.2161 763707.4061 0.3318 0.5267 LDB: ============= START OF LOAD BALANCING ============== 4548.43 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4548.43 LDB: =============== DONE WITH MIGRATION ================ 4548.43 LDB: ============= START OF LOAD BALANCING ============== 4548.74 LDB: Largest compute 7052 load 0.028577 is 14.7% of average load 0.194974 LDB: Average compute 0.004394 is 2.3% of average load 0.194974 LDB: TIME 4548.74 LOAD: AVG 0.194974 MAX 0.216178 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.742 MB LDB: TIME 4548.75 LOAD: AVG 0.194974 MAX 0.216178 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.742 MB LDB: TIME 4548.75 LOAD: AVG 0.194974 MAX 0.216178 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.742 MB LDB: ============== END OF LOAD BALANCING =============== 4548.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4548.75 PRESSURE: 1452400 -183.576 146.839 -262.499 146.84 -39.6628 118.333 -262.5 118.332 72.8272 GPRESSURE: 1452400 -99.5083 164.014 -253.971 133.922 -42.8946 41.2157 -225.094 107.987 69.212 PRESSAVG: 1452400 21.1501 21.1789 -44.8088 21.179 -52.7451 -20.7175 -44.8088 -20.7175 2.17827 GPRESSAVG: 1452400 20.7337 24.5143 -44.1311 20.5543 -53.7108 -19.608 -44.6076 -20.5974 4.06224 TIMING: 1452400 CPU: 4536.59, 0.00318889/step Wall: 4536.59, 0.00318889/step, 3.14248 hours remaining, 233.742188 MB of memory in use. ENERGY: 1452400 3944.0195 20412.9054 14451.6115 245.8769 -203306.6361 2842.7000 0.0000 0.0000 51811.6451 -109597.8778 297.7622 -161409.5228 -109235.1563 298.5605 -50.1371 -24.3970 763501.0753 -9.8056 -9.6383 PRESSURE: 1452600 293.401 278.207 -34.6549 278.207 13.8371 71.2606 -34.6549 71.2605 -108.607 GPRESSURE: 1452600 333.395 142.38 -30.064 182.083 17.4303 45.0463 33.7409 117.024 -70.1008 PRESSAVG: 1452600 24.4121 30.3159 -19.3003 30.3159 -24.6074 -28.2214 -19.3003 -28.2215 2.97219 GPRESSAVG: 1452600 23.8056 31.8338 -19.4379 32.026 -24.5001 -28.3046 -17.4393 -25.8765 2.42885 TIMING: 1452600 CPU: 4537.21, 0.00310167/step Wall: 4537.21, 0.00310167/step, 3.05635 hours remaining, 233.742188 MB of memory in use. ENERGY: 1452600 4023.9875 20461.8538 14385.4910 257.0441 -203439.3552 2981.7577 0.0000 0.0000 51636.1456 -109693.0754 296.7536 -161329.2210 -109344.8559 297.9166 66.2105 93.5749 762882.7709 0.9256 0.5781 PRESSURE: 1452800 -152.336 -82.3833 18.1411 -82.3837 -183.727 74.54 18.1412 74.5413 -236.834 GPRESSURE: 1452800 -11.4549 -37.7088 49.1561 -9.45897 -243.812 24.8503 77.3475 88.2054 -238.066 PRESSAVG: 1452800 21.2385 -9.89415 28.8586 -9.89421 -10.8405 -6.60542 28.8586 -6.60529 11.9227 GPRESSAVG: 1452800 23.4909 -11.5626 29.252 -11.3224 -12.2753 -7.16917 28.0306 -9.17155 11.7716 TIMING: 1452800 CPU: 4537.83, 0.00312486/step Wall: 4537.83, 0.00312486/step, 3.07903 hours remaining, 233.742188 MB of memory in use. ENERGY: 1452800 3930.1364 20298.0122 14309.9033 244.9455 -203264.2122 2714.2981 0.0000 0.0000 52138.1448 -109628.7720 299.6386 -161766.9168 -109256.1200 298.0612 -190.9658 -164.4444 764437.6696 7.4402 7.6624 PRESSURE: 1453000 -162.231 67.4471 3.1413 67.4465 -11.0627 69.6166 3.14231 69.6156 -96.7115 GPRESSURE: 1453000 -48.6131 6.14742 77.2587 -18.4183 12.7122 130.585 -173.382 65.1902 -130.794 PRESSAVG: 1453000 30.6606 -15.1704 -59.6799 -15.1704 -41.2667 3.81605 -59.6799 3.81593 -6.70715 GPRESSAVG: 1453000 29.1429 -15.4894 -60.5157 -14.7523 -39.229 2.14415 -59.0343 4.83917 -7.3987 TIMING: 1453000 CPU: 4538.46, 0.00312374/step Wall: 4538.46, 0.00312374/step, 3.07775 hours remaining, 233.742188 MB of memory in use. ENERGY: 1453000 3978.9847 20457.5668 14405.3087 261.0038 -203401.3179 2890.8284 0.0000 0.0000 51806.8766 -109600.7488 297.7348 -161407.6255 -109241.4429 298.1454 -90.0018 -55.5649 763548.3825 -5.7711 -5.8283 PRESSURE: 1453200 -42.2394 -238.353 72.9097 -238.353 -530.283 25.3876 72.9102 25.3866 -239.824 GPRESSURE: 1453200 11.4441 -255.669 251.517 -146.562 -523.644 113.7 -59.4578 26.6975 -203.473 PRESSAVG: 1453200 26.2468 -41.9655 -8.89005 -41.9655 -71.8463 13.0845 -8.89002 13.0846 19.3424 GPRESSAVG: 1453200 26.5258 -41.1297 -8.23959 -42.6848 -72.6433 15.3275 -8.85059 12.438 20.0671 TIMING: 1453200 CPU: 4539.08, 0.00313038/step Wall: 4539.08, 0.00313037/step, 3.08411 hours remaining, 233.742188 MB of memory in use. ENERGY: 1453200 3964.2816 20523.2696 14345.4888 233.2917 -203206.1602 2676.6745 0.0000 0.0000 51952.4086 -109510.7453 298.5712 -161463.1539 -109140.4574 298.6734 -270.7822 -238.5577 763822.6226 -8.7524 -8.6835 PRESSURE: 1453400 -66.9049 -216.873 33.6728 -216.873 -192.827 -14.5404 33.6733 -14.5405 147.873 GPRESSURE: 1453400 -4.21273 -248.828 47.4271 -260.12 -60.8044 41.7517 -11.6345 44.1142 30.3732 PRESSAVG: 1453400 -1.28215 21.7574 -19.5496 21.7575 32.8622 31.5569 -19.5497 31.5569 -2.01492 GPRESSAVG: 1453400 -2.25308 20.7075 -20.9492 22.4343 33.0615 31.5544 -20.19 31.9789 -1.42477 TIMING: 1453400 CPU: 4539.71, 0.00311935/step Wall: 4539.71, 0.00311935/step, 3.07308 hours remaining, 233.742188 MB of memory in use. ENERGY: 1453400 4014.2986 20462.6450 14460.7227 253.8382 -203671.3650 2844.8959 0.0000 0.0000 52052.6284 -109582.3361 299.1472 -161634.9645 -109223.9152 298.1928 -37.2862 -11.5480 762457.6715 9.8550 9.7945 PRESSURE: 1453600 15.3656 -6.5538 -161.227 -6.55413 371.281 170.793 -161.227 170.794 117.787 GPRESSURE: 1453600 107.723 -141.39 -103.901 90.9456 317.907 141.072 -40.3627 213.111 168.724 PRESSAVG: 1453600 21.0146 -50.471 -11.9269 -50.471 -6.53832 -10.2613 -11.927 -10.2614 -32.8387 GPRESSAVG: 1453600 21.8478 -51.4173 -11.0102 -51.3309 -6.88314 -12.5546 -11.5344 -10.1483 -33.2102 TIMING: 1453600 CPU: 4540.33, 0.0031155/step Wall: 4540.33, 0.0031155/step, 3.06911 hours remaining, 233.742188 MB of memory in use. ENERGY: 1453600 4014.8730 20423.2445 14400.6438 258.1697 -203353.3249 2806.9506 0.0000 0.0000 51751.2510 -109698.1923 297.4152 -161449.4432 -109343.2274 298.4839 168.1446 198.1182 763595.5315 -6.1208 -6.0819 PRESSURE: 1453800 -440.915 260.061 41.4633 260.061 -379.52 163.296 41.4631 163.297 -199.286 GPRESSURE: 1453800 -378.579 231.579 40.2247 281.772 -354.663 98.7311 83.0305 7.29827 -172.769 PRESSAVG: 1453800 -4.21791 27.0601 6.64041 27.0601 14.5576 -36.7346 6.64037 -36.7346 -3.78729 GPRESSAVG: 1453800 -5.44418 30.0805 6.05755 25.9203 14.7218 -34.9591 7.112 -39.157 -2.23379 TIMING: 1453800 CPU: 4540.95, 0.00312154/step Wall: 4540.95, 0.00312154/step, 3.07489 hours remaining, 233.742188 MB of memory in use. ENERGY: 1453800 4052.3466 20403.0955 14396.2815 267.8050 -203642.3799 2785.5030 0.0000 0.0000 51840.7593 -109896.5891 297.9296 -161737.3484 -109528.5010 298.2635 -339.9070 -302.0039 762598.5716 2.1841 2.3480 PRESSURE: 1454000 51.2067 276.551 -77.0723 276.551 -361.016 -131.399 -77.0721 -131.399 -37.8413 GPRESSURE: 1454000 52.3839 284.867 -114.831 373.369 -252.691 -32.4302 -12.9561 -317.35 -87.0138 PRESSAVG: 1454000 -42.2945 2.0719 46.2185 2.07189 6.98937 -26.7437 46.2184 -26.7436 36.1578 GPRESSAVG: 1454000 -40.6593 -0.226026 46.5386 5.84171 6.09456 -27.1612 46.6264 -25.1056 35.0819 TIMING: 1454000 CPU: 4541.58, 0.00314821/step Wall: 4541.58, 0.00314821/step, 3.10098 hours remaining, 233.742188 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: 1454000 4041.3791 20428.5163 14401.7524 247.5286 -203708.3697 2932.3900 0.0000 0.0000 51815.2522 -109841.5510 297.7830 -161656.8032 -109475.3566 298.2549 -115.8836 -95.7735 761938.0562 0.2842 0.1724 PRESSURE: 1454200 -9.53281 360.273 193.669 360.273 -55.1815 252.975 193.669 252.975 -80.6887 GPRESSURE: 1454200 -4.26974 325.953 200.04 165.428 -40.4357 266.48 159.839 204.797 -20.9819 PRESSAVG: 1454200 57.7742 42.8398 -3.24538 42.8398 -40.9563 23.0984 -3.24539 23.0985 -18.3893 GPRESSAVG: 1454200 55.6753 42.6203 -4.75936 41.4326 -38.8502 24.3232 -4.25756 22.5967 -18.5158 TIMING: 1454200 CPU: 4542.21, 0.0031385/step Wall: 4542.21, 0.0031385/step, 3.09125 hours remaining, 233.742188 MB of memory in use. ENERGY: 1454200 3936.0171 20587.8627 14378.5288 237.6811 -203414.5042 2480.7608 0.0000 0.0000 52024.4214 -109769.2323 298.9851 -161793.6537 -109408.2925 298.2098 -48.4677 -21.8958 760952.0261 -0.5238 -0.5636 PRESSURE: 1454400 111.012 52.0179 133.296 52.0187 73.0728 2.64612 133.296 2.64575 258.193 GPRESSURE: 1454400 103.996 58.048 85.616 -83.1599 59.1232 49.113 73.5221 134.092 346.773 PRESSAVG: 1454400 26.868 -9.33413 -20.3496 -9.33412 21.9891 41.7513 -20.3497 41.7513 7.38932 GPRESSAVG: 1454400 27.3293 -10.3152 -17.9226 -10.7192 21.7798 40.7667 -22.1225 43.7373 7.11441 TIMING: 1454400 CPU: 4542.84, 0.00314545/step Wall: 4542.84, 0.00314545/step, 3.09792 hours remaining, 233.742188 MB of memory in use. ENERGY: 1454400 3928.2809 20567.4049 14325.7063 245.3053 -203606.7031 2771.5621 0.0000 0.0000 51858.2579 -109910.1856 298.0301 -161768.4435 -109539.8405 297.8109 147.4259 169.9641 761519.6193 18.7488 18.7412 PRESSURE: 1454600 -219.627 104.601 -164.712 104.601 -361.66 30.0527 -164.711 30.0532 -88.2098 GPRESSURE: 1454600 -153.727 81.3834 -134.307 87.1166 -321.526 84.5471 -145.96 -120.699 -116.446 PRESSAVG: 1454600 -28.7548 -42.55 -56.3998 -42.5501 -7.79435 -18.8982 -56.3998 -18.8983 27.4577 GPRESSAVG: 1454600 -28.9318 -42.1397 -56.3023 -40.0714 -7.37572 -18.4204 -55.1243 -20.6822 26.488 TIMING: 1454600 CPU: 4543.47, 0.00314407/step Wall: 4543.47, 0.00314407/step, 3.09638 hours remaining, 233.742188 MB of memory in use. ENERGY: 1454600 3950.1041 20483.4156 14388.9565 232.8156 -203498.0910 2838.5447 0.0000 0.0000 51814.0971 -109790.1574 297.7763 -161604.2545 -109431.8455 297.9009 -223.1656 -197.2332 761975.3828 -3.0305 -3.2732 PRESSURE: 1454800 -42.1209 -60.9112 -67.8777 -60.9118 -193.894 -19.4747 -67.8775 -19.4748 -41.4711 GPRESSURE: 1454800 -57.0155 -37.3417 -111.789 -70.3592 -154.799 75.8661 34.1052 -103.677 27.3613 PRESSAVG: 1454800 34.1284 23.4464 -16.6947 23.4465 -30.8405 1.69127 -16.6946 1.69125 7.28604 GPRESSAVG: 1454800 33.582 25.2404 -17.0267 21.1765 -32.0903 1.89825 -15.4925 0.80354 9.16142 TIMING: 1454800 CPU: 4544.09, 0.00310796/step Wall: 4544.09, 0.00310796/step, 3.06065 hours remaining, 233.742188 MB of memory in use. ENERGY: 1454800 3954.6482 20342.2336 14358.8911 242.8802 -203201.1606 2611.3384 0.0000 0.0000 52043.5483 -109647.6208 299.0950 -161691.1691 -109283.0027 297.3933 -92.4954 -61.4845 762961.7209 3.5247 3.5510 PRESSURE: 1455000 205.691 183.168 104.119 183.168 53.7471 -78.2594 104.12 -78.2606 61.4426 GPRESSURE: 1455000 220.635 161.274 170.203 55.4175 42.1798 -12.4941 -86.3309 -154.901 128.682 PRESSAVG: 1455000 -45.3691 -25.1646 5.49622 -25.1646 53.9266 5.16466 5.49629 5.16461 -10.5206 GPRESSAVG: 1455000 -44.8529 -25.9322 5.0996 -24.5598 54.9082 5.51808 4.49462 4.44127 -11.2118 TIMING: 1455000 CPU: 4544.72, 0.00312597/step Wall: 4544.72, 0.00312597/step, 3.07821 hours remaining, 233.742188 MB of memory in use. ENERGY: 1455000 3941.4572 20399.9132 14408.5057 246.5915 -203457.5183 2759.1398 0.0000 0.0000 51981.6813 -109720.2296 298.7394 -161701.9109 -109359.0399 297.8478 106.9604 130.4990 762693.4706 -0.6544 -0.3855 PRESSURE: 1455200 -105.819 -51.2966 108.128 -51.2972 201.792 102.283 108.128 102.283 164.871 GPRESSURE: 1455200 8.78402 8.54185 161.302 -33.0185 91.1272 93.7431 78.8284 51.962 235.401 PRESSAVG: 1455200 -13.4222 37.1439 -22.4823 37.1438 25.137 17.0878 -22.4823 17.0878 19.3886 GPRESSAVG: 1455200 -11.1129 37.8048 -23.5177 34.8785 23.2972 16.2101 -21.6606 16.6469 18.5238 TIMING: 1455200 CPU: 4545.35, 0.00315666/step Wall: 4545.35, 0.00315666/step, 3.10826 hours remaining, 233.742188 MB of memory in use. ENERGY: 1455200 3943.8625 20537.8989 14372.0240 259.3199 -203700.1135 2872.6856 0.0000 0.0000 51972.3506 -109741.9721 298.6858 -161714.3226 -109389.9033 297.9253 86.9478 111.7708 762268.2308 10.3678 10.2360 PRESSURE: 1455400 125.293 82.5326 -344.205 82.5323 -135.822 -56.2322 -344.205 -56.2314 -223.139 GPRESSURE: 1455400 190.74 -8.12458 -384.989 32.8502 -177.702 -46.4688 -202.847 -95.0068 -152.057 PRESSAVG: 1455400 -8.4082 -25.083 -32.9193 -25.0829 4.1687 5.20242 -32.9192 5.2025 -15.5055 GPRESSAVG: 1455400 -8.55265 -26.3844 -31.7286 -23.2413 5.25109 4.51456 -35.5178 6.51077 -16.0672 TIMING: 1455400 CPU: 4545.97, 0.00312927/step Wall: 4545.97, 0.00312927/step, 3.08111 hours remaining, 233.742188 MB of memory in use. ENERGY: 1455400 3984.0480 20384.6434 14403.0581 261.9553 -203453.3946 2521.9073 0.0000 0.0000 52024.1709 -109873.6116 298.9836 -161897.7825 -109512.2010 298.1332 -77.8897 -46.3396 760295.2815 -6.5817 -6.4562 PRESSURE: 1455600 390.419 47.0642 -89.4098 47.0635 31.7713 45.8311 -89.4105 45.8316 -118.119 GPRESSURE: 1455600 444.022 40.5345 -53.451 116.271 46.0021 116.341 -4.63073 8.38354 -105.889 PRESSAVG: 1455600 8.15288 68.3606 -56.0242 68.3606 24.9454 3.89012 -56.0242 3.89022 -0.782638 GPRESSAVG: 1455600 6.87916 69.8743 -57.0281 67.702 24.6928 5.23975 -54.4343 4.65029 0.881638 TIMING: 1455600 CPU: 4546.59, 0.00310064/step Wall: 4546.59, 0.00310064/step, 3.05276 hours remaining, 233.742188 MB of memory in use. ENERGY: 1455600 4007.1720 20361.1554 14323.6573 240.8739 -203232.9343 2608.6365 0.0000 0.0000 51942.8342 -109748.6051 298.5162 -161691.4393 -109386.6575 298.6896 101.3573 128.0449 761869.7128 10.7719 10.8179 PRESSURE: 1455800 -33.169 -10.7175 -12.6031 -10.7172 215.016 195.966 -12.6044 195.966 -121.094 GPRESSURE: 1455800 -11.7608 -17.5277 -63.5234 17.1537 294.864 171.415 90.4228 115.478 -138.376 PRESSAVG: 1455800 -23.0857 14.7687 -38.3344 14.7687 -12.6432 51.457 -38.3345 51.4571 12.2828 GPRESSAVG: 1455800 -23.2632 14.2548 -38.2961 14.7145 -11.2617 49.5788 -35.8925 51.7973 11.2962 TIMING: 1455800 CPU: 4547.22, 0.00313535/step Wall: 4547.22, 0.00313535/step, 3.08675 hours remaining, 233.742188 MB of memory in use. ENERGY: 1455800 3937.6063 20593.0920 14417.5478 259.6610 -203693.2149 2934.7641 0.0000 0.0000 51726.6958 -109823.8478 297.2740 -161550.5436 -109462.8712 298.3579 20.2510 48.2423 762240.1695 -7.8153 -7.7429 PRESSURE: 1456000 -207.138 -31.1218 83.0571 -31.1225 -135.154 0.754303 83.0564 0.754904 287.264 GPRESSURE: 1456000 -267.589 -16.8532 37.9395 -180.806 -23.4081 -11.2133 17.0517 -30.4322 300.392 PRESSAVG: 1456000 66.8081 -32.206 0.2496 -32.2061 -25.8623 32.4771 0.249534 32.4771 -3.05104 GPRESSAVG: 1456000 66.3386 -31.2658 0.843071 -34.0466 -25.4093 32.9682 -2.5991 30.3626 -3.33196 TIMING: 1456000 CPU: 4547.85, 0.00312553/step Wall: 4547.85, 0.00312553/step, 3.07691 hours remaining, 233.742188 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: 1456000 3919.9429 20506.2210 14452.0704 245.6940 -203731.9617 2671.6882 0.0000 0.0000 52086.2016 -109850.1437 299.3401 -161936.3453 -109482.1471 299.0677 -18.3424 3.1316 761600.4482 12.6316 12.5325 PRESSURE: 1456200 261.767 -121.061 -13.9502 -121.06 -14.5431 133.741 -13.9498 133.741 -8.43381 GPRESSURE: 1456200 256.792 -23.7939 -44.9067 -64.2015 66.1409 57.9353 -22.2811 255.646 3.58731 PRESSAVG: 1456200 32.7798 -22.3088 14.2331 -22.3088 -36.2424 -1.35002 14.2331 -1.35001 -11.7884 GPRESSAVG: 1456200 33.7805 -22.4348 14.4784 -21.3116 -37.1418 -1.82272 14.9187 0.365967 -11.8518 TIMING: 1456200 CPU: 4548.47, 0.00311922/step Wall: 4548.47, 0.00311922/step, 3.07052 hours remaining, 233.742188 MB of memory in use. ENERGY: 1456200 3958.1794 20509.5844 14376.6081 239.9243 -203799.0571 2956.2042 0.0000 0.0000 51948.8747 -109809.6821 298.5509 -161758.5569 -109447.7136 298.5631 79.5966 108.8402 761379.9150 -5.0837 -5.0710 LDB: ============= START OF LOAD BALANCING ============== 4560.95 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4560.95 LDB: =============== DONE WITH MIGRATION ================ 4560.95 LDB: ============= START OF LOAD BALANCING ============== 4561.26 LDB: Largest compute 7052 load 0.028369 is 14.5% of average load 0.194994 LDB: Average compute 0.004392 is 2.3% of average load 0.194994 LDB: TIME 4561.27 LOAD: AVG 0.194994 MAX 0.214466 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.742 MB LDB: TIME 4561.27 LOAD: AVG 0.194994 MAX 0.214466 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.746 MB LDB: TIME 4561.27 LOAD: AVG 0.194994 MAX 0.214466 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.746 MB LDB: ============== END OF LOAD BALANCING =============== 4561.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4561.27 PRESSURE: 1456400 -223.021 -163.433 -15.4735 -163.433 -550.159 61.7648 -15.4735 61.7639 -161.38 GPRESSURE: 1456400 -252.692 -143.598 -6.85734 -66.7963 -428.256 83.5612 68.1818 62.3639 -160.066 PRESSAVG: 1456400 -14.4387 -33.8687 -41.1381 -33.8687 7.87204 -7.91989 -41.1381 -7.91991 2.29812 GPRESSAVG: 1456400 -16.0241 -35.9432 -41.8855 -31.8843 8.9049 -9.33621 -41.5786 -6.89264 2.66677 TIMING: 1456400 CPU: 4549.11, 0.00319771/step Wall: 4549.11, 0.00319771/step, 3.14762 hours remaining, 233.539062 MB of memory in use. ENERGY: 1456400 3922.7577 20539.3696 14355.9909 228.7308 -203221.0898 2399.7163 0.0000 0.0000 51968.5768 -109805.9476 298.6641 -161774.5244 -109439.6675 298.1696 -311.5199 -280.3380 763176.0870 -1.4228 -1.4841 PRESSURE: 1456600 2.63108 157.588 -93.5153 157.587 -227.986 32.0491 -93.5149 32.0495 88.045 GPRESSURE: 1456600 72.4476 116.471 -44.5181 105.66 -197.936 -81.4971 -67.3878 43.1556 75.9333 PRESSAVG: 1456600 -29.711 -60.3003 10.5641 -60.3003 3.85197 -2.12314 10.5641 -2.12317 16.2792 GPRESSAVG: 1456600 -27.9081 -59.6149 13.2451 -61.1415 3.27284 -0.194622 11.9416 -4.17477 15.5812 TIMING: 1456600 CPU: 4549.73, 0.00311463/step Wall: 4549.73, 0.00311463/step, 3.06566 hours remaining, 233.539062 MB of memory in use. ENERGY: 1456600 3942.8335 20479.4040 14398.7021 254.4950 -203252.1487 2373.0302 0.0000 0.0000 51978.3709 -109825.3130 298.7204 -161803.6839 -109467.7598 298.1899 -45.7699 -16.5184 761804.8851 -3.1933 -3.0180 PRESSURE: 1456800 -10.0904 -101.064 68.6241 -101.064 -334.988 -11.9752 68.6227 -11.9767 388.314 GPRESSURE: 1456800 77.8488 -193.651 189.996 89.1307 -300.242 -22.5368 -107.703 -41.2847 346.615 PRESSAVG: 1456800 41.559 -53.326 65.1598 -53.326 -5.41909 -9.2331 65.1598 -9.23307 26.9979 GPRESSAVG: 1456800 41.1139 -54.7971 64.504 -52.4004 -5.86416 -7.36092 60.7168 -9.15085 28.3296 TIMING: 1456800 CPU: 4550.35, 0.00310822/step Wall: 4550.35, 0.00310822/step, 3.05918 hours remaining, 233.539062 MB of memory in use. ENERGY: 1456800 4014.5814 20281.1032 14411.7548 262.8062 -203615.5259 3007.3542 0.0000 0.0000 51758.0718 -109879.8544 297.4543 -161637.9262 -109525.9564 298.0416 14.4118 41.4073 761954.2216 21.0459 21.1931 PRESSURE: 1457000 217.173 196.583 -58.2958 196.582 121.716 93.2926 -58.2959 93.2918 494.562 GPRESSURE: 1457000 213.574 148.382 -40.3189 43.6122 179.41 142.648 89.109 -25.2304 526.342 PRESSAVG: 1457000 64.0616 -35.6434 -9.48195 -35.6434 -51.1064 6.48673 -9.48197 6.48672 9.84459 GPRESSAVG: 1457000 63.6355 -33.8601 -10.1081 -36.2511 -50.1267 5.28145 -5.7088 8.28272 9.54818 TIMING: 1457000 CPU: 4550.98, 0.00312307/step Wall: 4550.98, 0.00312307/step, 3.07362 hours remaining, 233.539062 MB of memory in use. ENERGY: 1457000 3871.8838 20222.5139 14435.2122 254.6335 -203527.3764 2922.2973 0.0000 0.0000 52202.8548 -109617.9809 300.0105 -161820.8357 -109255.5998 298.2680 277.8173 306.4423 762396.5989 7.5999 7.6857 PRESSURE: 1457200 -64.2637 -90.1044 28.2389 -90.1044 71.1499 110.141 28.2386 110.14 -179.765 GPRESSURE: 1457200 -116.537 63.233 -24.6927 -93.2002 -13.3522 34.4242 30.6266 53.1328 34.7514 PRESSAVG: 1457200 -13.7474 -32.6029 -4.17232 -32.6028 47.606 20.1067 -4.17236 20.1067 18.4546 GPRESSAVG: 1457200 -12.6036 -32.2108 -6.24215 -33.8847 46.2079 18.89 -3.99518 18.3154 18.9906 TIMING: 1457200 CPU: 4551.6, 0.00309073/step Wall: 4551.6, 0.00309073/step, 3.04162 hours remaining, 233.539062 MB of memory in use. ENERGY: 1457200 3977.9515 20455.1945 14442.6478 257.2258 -203315.1389 2703.9759 0.0000 0.0000 51982.9377 -109495.2057 298.7467 -161478.1433 -109139.6267 298.8472 -57.6264 -31.7125 761947.7648 17.4377 17.5317 PRESSURE: 1457400 -251.822 -42.7601 141.345 -42.7607 -231.875 -11.2045 141.344 -11.2047 -325.929 GPRESSURE: 1457400 -221.493 -34.759 224.103 -44.0675 -224.54 -56.4882 55.3609 38.9284 -288.623 PRESSAVG: 1457400 16.0985 -31.7024 -4.41203 -31.7025 -0.268649 15.1938 -4.41205 15.1938 -4.68444 GPRESSAVG: 1457400 14.976 -31.5852 -4.1575 -30.5307 0.892731 16.0956 -5.30658 15.9704 -5.46393 TIMING: 1457400 CPU: 4552.22, 0.00310273/step Wall: 4552.22, 0.00310272/step, 3.05325 hours remaining, 233.539062 MB of memory in use. ENERGY: 1457400 4074.0803 20358.3763 14434.4155 227.7639 -202778.8176 2280.4428 0.0000 0.0000 52198.1599 -109205.5790 299.9835 -161403.7389 -108851.1401 299.1242 -269.8754 -244.8855 762353.5412 3.7152 3.4682 PRESSURE: 1457600 -381.463 -81.0225 209.421 -81.0227 71.8005 32.8085 209.422 32.8091 -114.104 GPRESSURE: 1457600 -333.079 -41.4839 165.549 -82.7567 79.7731 -18.658 124.337 58.3728 -66.0296 PRESSAVG: 1457600 45.8322 -69.3954 -3.96294 -69.3955 -53.449 -8.32633 -3.96293 -8.32631 10.7953 GPRESSAVG: 1457600 45.839 -69.1066 -0.709187 -69.5591 -54.408 -9.65662 -5.12804 -6.40995 11.7926 TIMING: 1457600 CPU: 4552.84, 0.0030999/step Wall: 4552.84, 0.0030999/step, 3.0503 hours remaining, 233.539062 MB of memory in use. ENERGY: 1457600 3928.4300 20517.0898 14442.7067 238.2444 -202667.5947 2567.9724 0.0000 0.0000 51789.1241 -109184.0273 297.6328 -160973.1514 -108821.5297 299.2135 -141.2555 -106.4451 761977.7945 1.0595 1.0746 PRESSURE: 1457800 298.106 -8.9765 -169.862 -8.9764 55.0326 171.423 -169.862 171.422 -49.4393 GPRESSURE: 1457800 325.009 -127.861 -123.441 -17.7024 105.442 140.994 -66.6446 219.052 -51.7442 PRESSAVG: 1457800 -23.257 -5.60674 -21.8723 -5.60675 -34.9379 8.15075 -21.8723 8.15071 1.94734 GPRESSAVG: 1457800 -23.3198 -5.89206 -22.905 -6.7669 -34.5229 10.6446 -21.1109 5.35694 1.61719 TIMING: 1457800 CPU: 4553.46, 0.0031136/step Wall: 4553.46, 0.0031136/step, 3.06361 hours remaining, 233.539062 MB of memory in use. ENERGY: 1457800 4004.9618 20521.8535 14433.8104 239.4996 -203223.0454 2710.9645 0.0000 0.0000 52164.8513 -109147.1042 299.7921 -161311.9555 -108793.9734 299.4505 101.2332 126.2357 759987.5152 -18.7492 -18.7418 PRESSURE: 1458000 -42.6003 -215.854 -150.597 -215.854 -213.579 -53.8822 -150.597 -53.8829 -70.3464 GPRESSURE: 1458000 -57.2331 -192.606 -149.87 -282.325 -120.921 -74.1597 -182.915 -35.9929 -54.2914 PRESSAVG: 1458000 -5.34018 -34.3605 -37.0627 -34.3604 -6.08186 -7.7832 -37.0626 -7.78318 4.76492 GPRESSAVG: 1458000 -5.20223 -34.9766 -37.7786 -36.2285 -5.66999 -8.97263 -36.196 -6.10768 4.53409 TIMING: 1458000 CPU: 4554.08, 0.00310187/step Wall: 4554.08, 0.00310186/step, 3.05189 hours remaining, 233.539062 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: 1458000 4048.4741 20491.6688 14435.0162 259.3703 -203327.4833 2918.9088 0.0000 0.0000 51927.0752 -109246.9698 298.4256 -161174.0451 -108879.2622 299.1956 -108.8420 -77.4818 760988.3647 -2.2190 -2.1127 PRESSURE: 1458200 132.559 -8.54195 290.802 -8.54194 -62.1673 -143.745 290.802 -143.744 181.313 GPRESSURE: 1458200 157.549 24.0145 298.774 95.7401 -26.7361 -190.14 230.923 -156.255 211.343 PRESSAVG: 1458200 1.81447 -16.3425 -60.3604 -16.3426 -29.533 27.3479 -60.3603 27.3479 -24.955 GPRESSAVG: 1458200 2.09258 -15.6006 -61.4841 -12.0288 -30.0993 27.9615 -61.0345 25.3004 -24.6486 TIMING: 1458200 CPU: 4554.7, 0.00309983/step Wall: 4554.7, 0.00309983/step, 3.04972 hours remaining, 233.539062 MB of memory in use. ENERGY: 1458200 3966.9738 20497.8775 14455.9602 256.3800 -203507.2847 2902.3234 0.0000 0.0000 52281.0684 -109146.7015 300.4600 -161427.7699 -108778.5174 299.6792 83.9015 114.0520 761386.0920 -17.5578 -17.5518 PRESSURE: 1458400 -71.4349 -40.6382 46.6337 -40.6386 -98.4938 150.728 46.6338 150.727 -231.001 GPRESSURE: 1458400 -113.795 -83.5214 -30.0965 54.0274 -14.2109 185.288 122.193 221.08 -186.655 PRESSAVG: 1458400 -23.0482 -4.08301 -5.24151 -4.08302 21.4207 -10.2094 -5.24157 -10.2094 26.6981 GPRESSAVG: 1458400 -22.6494 -5.14609 -5.09314 -4.56381 22.1677 -10.386 -3.57845 -8.72972 25.5678 TIMING: 1458400 CPU: 4555.32, 0.00311106/step Wall: 4555.32, 0.00311106/step, 3.0606 hours remaining, 233.539062 MB of memory in use. ENERGY: 1458400 3978.8960 20564.7535 14486.3102 257.6631 -203020.7277 2513.2236 0.0000 0.0000 52130.0431 -109089.8381 299.5921 -161219.8813 -108726.9720 299.8348 -133.6432 -104.8869 761142.5671 8.3569 8.3620 PRESSURE: 1458600 -45.7299 55.589 92.2345 55.5896 -212.317 81.0527 92.2338 81.051 -229.737 GPRESSURE: 1458600 -58.2117 -44.1555 74.6126 65.5616 -235.944 82.5407 32.4001 -51.3731 -125.999 PRESSAVG: 1458600 67.9457 -44.6164 -19.5359 -44.6164 -82.1902 21.7563 -19.5359 21.7563 -14.9579 GPRESSAVG: 1458600 67.3384 -43.307 -18.1778 -45.7816 -82.0748 21.4119 -23.0439 20.8623 -15.0508 TIMING: 1458600 CPU: 4555.94, 0.00310897/step Wall: 4555.94, 0.00310897/step, 3.05836 hours remaining, 233.539062 MB of memory in use. ENERGY: 1458600 4003.2638 20567.6127 14414.5089 243.3328 -203115.9107 2615.9627 0.0000 0.0000 52229.2457 -109041.9840 300.1622 -161271.2297 -108684.4953 300.1570 -162.5946 -140.0518 760826.0398 -9.7341 -9.9291 PRESSURE: 1458800 19.554 143.832 185.162 143.831 -84.0532 129.754 185.162 129.754 12.6199 GPRESSURE: 1458800 2.87162 124.778 261.803 99.5175 -59.8446 196.984 183.558 55.8302 80.3644 PRESSAVG: 1458800 57.5936 5.41123 24.4365 5.41125 -22.6346 5.57772 24.4365 5.57771 28.9306 GPRESSAVG: 1458800 57.8019 5.75652 23.9204 4.88997 -23.2883 4.34979 25.9422 6.61659 28.9034 TIMING: 1458800 CPU: 4556.57, 0.0031329/step Wall: 4556.57, 0.0031329/step, 3.08173 hours remaining, 233.539062 MB of memory in use. ENERGY: 1458800 3972.0732 20597.8592 14448.3488 246.0178 -203190.7891 2635.7046 0.0000 0.0000 52107.5379 -109183.2477 299.4627 -161290.7856 -108836.9895 299.7191 -17.2931 7.7971 761878.6623 21.2965 21.1390 PRESSURE: 1459000 -146.534 -9.68556 -75.2117 -9.68463 -332.938 -91.274 -75.2118 -91.2747 -11.1006 GPRESSURE: 1459000 -102.292 72.3578 -76.9678 -154.853 -286.165 -166.79 -16.6388 5.28454 -20.698 PRESSAVG: 1459000 35.2784 -17.1339 -35.0462 -17.1339 -36.0783 21.1641 -35.0462 21.1641 -10.8461 GPRESSAVG: 1459000 35.5742 -18.3687 -36.3952 -17.4456 -36.9457 20.9155 -35.3479 21.8625 -10.2934 TIMING: 1459000 CPU: 4557.19, 0.00311385/step Wall: 4557.19, 0.00311384/step, 3.06281 hours remaining, 233.539062 MB of memory in use. ENERGY: 1459000 4019.9316 20571.5149 14411.5712 253.5782 -202867.5600 2369.2495 0.0000 0.0000 51997.9038 -109243.8108 298.8327 -161241.7146 -108888.1966 299.3672 -163.5241 -136.3849 762340.0263 -3.8820 -3.8883 PRESSURE: 1459200 -106.764 13.3884 329.472 13.3875 -126.017 20.1474 329.472 20.1476 -27.5754 GPRESSURE: 1459200 -15.4322 -72.1359 260.068 78.918 -63.3589 4.96277 342.916 107.383 -88.2309 PRESSAVG: 1459200 15.4823 1.09452 -13.7983 1.0945 -0.36809 29.4506 -13.7984 29.4505 20.5971 GPRESSAVG: 1459200 15.1142 -0.613379 -12.1078 1.6536 0.600617 30.139 -13.2314 29.5272 19.5519 TIMING: 1459200 CPU: 4557.81, 0.00310738/step Wall: 4557.81, 0.00310738/step, 3.05628 hours remaining, 233.539062 MB of memory in use. ENERGY: 1459200 3911.9251 20363.3717 14411.3411 256.1881 -203185.3661 2769.1373 0.0000 0.0000 52262.7435 -109210.6592 300.3547 -161473.4027 -108838.7615 299.2749 -86.7857 -55.6740 761927.2171 11.9038 11.7556 PRESSURE: 1459400 74.8035 -26.033 -272.008 -26.0336 -274.006 -45.9954 -272.008 -45.994 -58.8298 GPRESSURE: 1459400 -0.0756376 51.9782 -168.747 -69.6588 -133.026 -34.1232 -359.126 45.9874 -29.3116 PRESSAVG: 1459400 55.6312 -24.3637 -11.9102 -24.3637 5.1826 -53.6316 -11.9102 -53.6316 8.0787 GPRESSAVG: 1459400 53.8956 -22.0893 -10.341 -25.3328 5.50361 -53.6839 -14.6207 -55.6738 10.1704 TIMING: 1459400 CPU: 4558.43, 0.00310135/step Wall: 4558.43, 0.00310135/step, 3.05018 hours remaining, 233.539062 MB of memory in use. ENERGY: 1459400 3963.7895 20498.7573 14384.6170 260.7729 -203565.2336 3095.5418 0.0000 0.0000 52136.3718 -109225.3832 299.6284 -161361.7550 -108860.8219 299.4687 -86.0108 -54.1377 764233.1876 22.9642 23.1899 PRESSURE: 1459600 -13.4753 -117.037 -10.2024 -117.036 -162.22 -64.2532 -10.2026 -64.2539 71.251 GPRESSURE: 1459600 -46.2514 -152.387 94.9708 -138.406 -106.763 -2.12155 28.0186 -142.613 120.019 PRESSAVG: 1459600 12.5108 24.5664 11.8393 24.5663 19.9388 -20.9661 11.8393 -20.966 -2.78626 GPRESSAVG: 1459600 13.9067 23.588 11.0441 25.2277 20.2895 -21.5846 13.7071 -18.111 -4.30995 TIMING: 1459600 CPU: 4559.06, 0.0031024/step Wall: 4559.06, 0.0031024/step, 3.05104 hours remaining, 233.539062 MB of memory in use. ENERGY: 1459600 4012.9922 20503.0861 14543.3124 256.9931 -203337.6384 2766.6302 0.0000 0.0000 52042.2404 -109212.3839 299.0875 -161254.6244 -108846.0580 299.4959 -34.8147 -10.9985 763603.0804 9.8878 9.9621 PRESSURE: 1459800 -396.147 97.0146 209.111 97.0147 -397.937 198.78 209.111 198.781 -266.192 GPRESSURE: 1459800 -286.516 127.263 144.089 174.322 -422.831 158.758 242.005 157.584 -267.209 PRESSAVG: 1459800 25.3284 0.895417 36.8652 0.895421 -34.5352 -39.113 36.8651 -39.113 -18.8807 GPRESSAVG: 1459800 24.7454 0.321028 36.0696 0.975334 -34.0629 -36.6215 36.0625 -41.9356 -18.534 TIMING: 1459800 CPU: 4559.68, 0.00310891/step Wall: 4559.68, 0.00310891/step, 3.05727 hours remaining, 233.539062 MB of memory in use. ENERGY: 1459800 4043.8690 20546.8562 14420.1125 253.7880 -202783.0498 2337.7158 0.0000 0.0000 52217.3130 -108963.3953 300.0936 -161180.7083 -108598.7945 299.9727 -353.4252 -325.5184 762204.3239 -9.3625 -9.2838 PRESSURE: 1460000 -82.8481 -265.001 176.062 -265.003 124.706 4.69346 176.062 4.69308 -126.391 GPRESSURE: 1460000 -74.5397 -151.407 145.844 -68.0464 152.041 86.157 178.39 -55.0055 -97.1633 PRESSAVG: 1460000 4.77604 -13.4592 22.1843 -13.4592 -18.9349 36.0068 22.1842 36.0068 14.8797 GPRESSAVG: 1460000 6.41514 -14.0088 22.9648 -11.7433 -19.7727 33.3302 22.9347 36.4839 14.2107 TIMING: 1460000 CPU: 4560.3, 0.00310086/step Wall: 4560.3, 0.00310086/step, 3.04918 hours remaining, 233.539062 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: 1460000 3991.7951 20529.9384 14395.1519 240.0832 -202914.6856 2787.2279 0.0000 0.0000 51954.1263 -109016.3628 298.5811 -160970.4891 -108659.5753 299.5976 -28.1777 -6.5540 764703.5089 0.2403 0.2844 PRESSURE: 1460200 -428.919 -64.5641 86.0539 -64.563 -289.917 33.8694 86.0542 33.869 -377.266 GPRESSURE: 1460200 -477.895 -158.644 113.523 -124.677 -255.316 -52.0746 54.1257 -60.862 -286.414 PRESSAVG: 1460200 17.1743 27.7147 79.2776 27.7147 45.9139 13.0816 79.2777 13.0816 -7.07122 GPRESSAVG: 1460200 17.0406 29.1149 79.9787 26.4794 46.5155 14.4347 78.3616 15.561 -6.67763 TIMING: 1460200 CPU: 4560.92, 0.00310882/step Wall: 4560.92, 0.00310882/step, 3.05683 hours remaining, 233.539062 MB of memory in use. ENERGY: 1460200 4041.5479 20613.2027 14402.6651 256.5588 -202782.6007 2455.3129 0.0000 0.0000 51896.9205 -109116.3928 298.2523 -161013.3133 -108756.4554 299.3974 -365.3675 -339.8749 763962.2425 18.6723 18.9595 LDB: ============= START OF LOAD BALANCING ============== 4573.4 LDB: ============== END OF LOAD BALANCING =============== 4573.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4573.4 LDB: ============= START OF LOAD BALANCING ============== 4573.71 LDB: Largest compute 6983 load 0.031043 is 15.9% of average load 0.195071 LDB: Average compute 0.004374 is 2.2% of average load 0.195071 LDB: TIME 4573.71 LOAD: AVG 0.195071 MAX 0.212877 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.113 MB LDB: TIME 4573.71 LOAD: AVG 0.195071 MAX 0.212877 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.113 MB LDB: TIME 4573.71 LOAD: AVG 0.195071 MAX 0.212877 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.113 MB LDB: ============== END OF LOAD BALANCING =============== 4573.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4573.72 PRESSURE: 1460400 157.08 -64.2118 37.9893 -64.2124 -115.423 -166.726 37.9899 -166.726 122.138 GPRESSURE: 1460400 175.192 -170.694 -14.6275 -12.5137 14.0327 -157.747 153.745 -168.818 60.427 PRESSAVG: 1460400 6.96895 -10.8234 59.1376 -10.8234 -35.1867 45.5303 59.1375 45.5302 39.1548 GPRESSAVG: 1460400 6.24472 -12.3093 57.3385 -10.5252 -34.2375 43.7919 61.3453 44.3526 39.2603 TIMING: 1460400 CPU: 4561.55, 0.00317163/step Wall: 4561.55, 0.00317163/step, 3.11841 hours remaining, 234.367188 MB of memory in use. ENERGY: 1460400 4000.6949 20556.5354 14452.4440 231.9048 -203313.5090 2893.5393 0.0000 0.0000 52169.2623 -109009.1283 299.8175 -161178.3906 -108643.6932 299.8488 54.5982 83.2171 761594.1414 3.6457 3.7558 PRESSURE: 1460600 -20.4137 -171.578 143.317 -171.578 135.091 52.7778 143.318 52.7789 136.937 GPRESSURE: 1460600 52.4912 -165.257 140.219 -233.499 112.526 105.624 241.817 90.3344 163.472 PRESSAVG: 1460600 1.67225 3.15611 26.1289 3.1561 -54.7711 41.4193 26.1289 41.4193 -5.55576 GPRESSAVG: 1460600 1.66522 3.59956 26.256 2.87646 -55.4991 41.7401 26.6366 42.5358 -4.95421 TIMING: 1460600 CPU: 4562.18, 0.00311377/step Wall: 4562.18, 0.00311377/step, 3.06136 hours remaining, 234.437500 MB of memory in use. ENERGY: 1460600 4048.1492 20712.3969 14413.3677 240.4720 -203220.0999 2850.0777 0.0000 0.0000 51975.5530 -108980.0833 298.7042 -160955.6363 -108626.5364 299.6232 83.8715 109.4964 763660.4693 -19.5515 -19.5960 PRESSURE: 1460800 -16.3782 -112.641 -23.5281 -112.641 -123.564 337.121 -23.5282 337.122 101.53 GPRESSURE: 1460800 8.60475 -124.816 3.79137 -58.1394 -142.534 264.495 -4.42036 173.598 174.68 PRESSAVG: 1460800 77.1357 4.99248 9.3056 4.99243 -53.8789 11.8652 9.30554 11.8651 -8.23377 GPRESSAVG: 1460800 76.9307 3.04797 10.4108 7.54198 -53.441 12.8536 6.10719 10.3863 -8.26966 TIMING: 1460800 CPU: 4562.8, 0.00311318/step Wall: 4562.8, 0.00311318/step, 3.0606 hours remaining, 234.437500 MB of memory in use. ENERGY: 1460800 3993.7277 20512.9961 14397.9170 254.9054 -203005.5661 2552.8521 0.0000 0.0000 52211.2831 -109081.8847 300.0590 -161293.1679 -108707.6187 299.2563 -12.8042 13.5836 762977.7086 5.0077 5.0733 PRESSURE: 1461000 -227.491 -85.3816 -286.61 -85.382 -286.861 -69.3738 -286.61 -69.3733 -388.468 GPRESSURE: 1461000 -187.422 -95.3666 -281.891 -220.259 -360.823 -116.932 -253.265 -69.8157 -241.787 PRESSAVG: 1461000 6.7043 -30.282 -22.3191 -30.282 -49.9948 3.51791 -22.3191 3.5179 -9.1625 GPRESSAVG: 1461000 6.98695 -27.1553 -21.6279 -33.4383 -51.32 1.98221 -22.2358 3.41986 -7.65522 TIMING: 1461000 CPU: 4563.42, 0.00311398/step Wall: 4563.42, 0.00311398/step, 3.06122 hours remaining, 234.437500 MB of memory in use. ENERGY: 1461000 4076.3657 20588.8290 14427.1412 235.7641 -203017.8185 2594.0295 0.0000 0.0000 52126.7875 -108968.9016 299.5734 -161095.6891 -108622.1539 299.1433 -300.9403 -263.3440 763254.6043 -17.4843 -17.3294 PRESSURE: 1461200 -27.7286 89.7603 102.618 89.7599 -13.7992 -80.8505 102.617 -80.8501 217.156 GPRESSURE: 1461200 38.4776 5.40426 93.9036 68.212 104.633 -40.7224 176.557 -93.5415 121.741 PRESSAVG: 1461200 36.9336 -17.6311 -31.1617 -17.6312 -10.0285 17.0099 -31.1617 17.0098 -8.75779 GPRESSAVG: 1461200 37.4328 -18.2292 -33.3452 -16.2416 -9.05793 17.4192 -28.8627 17.0314 -10.5797 TIMING: 1461200 CPU: 4564.04, 0.00309307/step Wall: 4564.04, 0.00309307/step, 3.04048 hours remaining, 234.437500 MB of memory in use. ENERGY: 1461200 3883.3202 20678.3653 14379.6997 249.1832 -202954.4073 2636.7162 0.0000 0.0000 52375.3827 -108751.7402 301.0020 -161127.1229 -108386.5056 300.3728 58.5426 88.2840 762105.2181 6.0491 5.9317 PRESSURE: 1461400 -137.399 -14.7332 312.54 -14.7337 215.559 -5.60247 312.539 -5.60179 -79.3729 GPRESSURE: 1461400 -62.2557 93.1978 340.599 14.0516 194.599 -80.6038 128.291 -2.0854 -37.2391 PRESSAVG: 1461400 58.8354 30.3639 -17.8687 30.364 -34.1179 13.5125 -17.8687 13.5125 13.7561 GPRESSAVG: 1461400 58.1454 30.3656 -15.5038 30.1831 -34.4595 13.7607 -19.8306 14.3485 14.4948 TIMING: 1461400 CPU: 4564.66, 0.00310228/step Wall: 4564.66, 0.00310229/step, 3.04937 hours remaining, 234.437500 MB of memory in use. ENERGY: 1461400 4029.7364 20399.4024 14439.7101 228.5995 -203106.2834 2915.3266 0.0000 0.0000 52295.2211 -108798.2871 300.5414 -161093.5083 -108428.1901 300.5082 -0.4041 31.7014 763023.5158 12.8245 12.7269 PRESSURE: 1461600 -261.155 -4.89132 -95.8293 -4.89136 -131.932 251.043 -95.8282 251.043 -64.7616 GPRESSURE: 1461600 -266.029 -0.202139 -49.0702 86.0736 -51.795 303.738 -119.597 130.601 -52.661 PRESSAVG: 1461600 45.73 -8.9996 20.015 -8.99965 -23.2111 6.20027 20.0151 6.20023 5.95413 GPRESSAVG: 1461600 44.9997 -10.2642 18.6874 -6.83472 -22.187 5.53283 20.894 4.58688 5.53638 TIMING: 1461600 CPU: 4565.28, 0.0030958/step Wall: 4565.28, 0.0030958/step, 3.04283 hours remaining, 234.437500 MB of memory in use. ENERGY: 1461600 4013.2245 20490.4919 14362.4699 235.8327 -203019.7698 2568.9862 0.0000 0.0000 52312.7067 -109036.0579 300.6418 -161348.7646 -108676.8572 299.6622 -152.6161 -123.4949 763828.4480 9.4910 9.4497 PRESSURE: 1461800 431.849 61.2658 50.2899 61.266 175.513 14.8253 50.2905 14.8246 529.922 GPRESSURE: 1461800 439.019 -14.8613 15.7327 204.85 277.684 60.9602 49.2215 108.183 491.94 PRESSAVG: 1461800 62.3716 9.34586 24.738 9.34589 -89.0741 -5.33443 24.738 -5.3344 7.77298 GPRESSAVG: 1461800 62.6114 11.2601 24.0105 7.0154 -88.985 -5.03373 24.835 -3.26356 6.89219 TIMING: 1461800 CPU: 4565.9, 0.00310657/step Wall: 4565.9, 0.00310657/step, 3.05325 hours remaining, 234.437500 MB of memory in use. ENERGY: 1461800 3933.8833 20549.8632 14400.0054 251.9332 -203197.1908 2961.8080 0.0000 0.0000 51991.8980 -109107.7996 298.7982 -161099.6977 -108742.2077 299.4569 379.0944 402.8809 762981.4429 -6.3098 -6.4938 PRESSURE: 1462000 -230.66 -31.0904 32.9952 -31.0911 -247.257 133.293 32.995 133.293 -42.1505 GPRESSURE: 1462000 -251.713 55.3261 -43.5355 24.5574 -247.959 95.0784 147.561 236.832 65.891 PRESSAVG: 1462000 29.0067 23.5979 44.874 23.5979 -27.6092 -6.67805 44.874 -6.67798 -8.42538 GPRESSAVG: 1462000 29.118 22.8288 43.7688 23.3944 -28.7586 -8.02865 47.0024 -6.90981 -7.54277 TIMING: 1462000 CPU: 4566.52, 0.0031155/step Wall: 4566.52, 0.0031155/step, 3.06184 hours remaining, 234.437500 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: 1462000 4078.0246 20600.4643 14410.8927 236.3345 -203044.2468 2493.7150 0.0000 0.0000 52008.1635 -109216.6522 298.8916 -161224.8157 -108860.3034 299.1394 -173.3561 -144.5938 763053.0196 -2.3426 -2.3945 PRESSURE: 1462200 -199.015 -63.6861 -131.975 -63.6855 -162.026 64.8435 -131.974 64.844 -179.673 GPRESSURE: 1462200 -97.9445 -92.1706 -165.379 -62.2323 -230.25 55.2186 -85.8756 209.973 -141.429 PRESSAVG: 1462200 -6.39572 16.4012 -7.94594 16.4012 -33.7604 27.2787 -7.94598 27.2787 -14.682 GPRESSAVG: 1462200 -6.43023 15.2891 -6.9813 17.753 -32.849 28.6634 -10.5273 24.4945 -15.4099 TIMING: 1462200 CPU: 4567.15, 0.00310655/step Wall: 4567.15, 0.00310655/step, 3.05288 hours remaining, 234.437500 MB of memory in use. ENERGY: 1462200 3969.7701 20533.4059 14366.8931 239.5124 -203100.5679 2774.1709 0.0000 0.0000 52092.8323 -109123.9831 299.3782 -161216.8154 -108773.0782 299.1702 -180.2381 -156.5413 763223.2344 -18.2794 -18.2297 PRESSURE: 1462400 272.597 146.181 -170.824 146.182 -22.9155 -68.9785 -170.823 -68.978 192.951 GPRESSURE: 1462400 270.014 15.0762 -145.552 102.92 -5.35704 -5.62699 -194.968 -90.3445 264.396 PRESSAVG: 1462400 15.7265 -36.2446 -1.51346 -36.2445 -43.0663 -22.6289 -1.51346 -22.6289 8.39726 GPRESSAVG: 1462400 16.9112 -34.7641 -1.50244 -37.8032 -44.8918 -24.214 -1.47416 -18.2109 8.75793 TIMING: 1462400 CPU: 4567.77, 0.00311329/step Wall: 4567.77, 0.00311329/step, 3.05933 hours remaining, 234.437500 MB of memory in use. ENERGY: 1462400 4039.4090 20415.2671 14390.6666 247.1029 -203206.1748 2820.5286 0.0000 0.0000 52334.3683 -108958.8324 300.7663 -161293.2007 -108582.5776 299.8274 147.5439 176.3510 762430.6509 -6.3142 -6.4076 PRESSURE: 1462600 -236.635 44.3034 -84.2967 44.3032 -147.656 54.7988 -84.2963 54.7987 -114.513 GPRESSURE: 1462600 -162.172 110.511 -48.3972 -117.085 -114.073 34.1421 -164.53 -52.074 -143.942 PRESSAVG: 1462600 22.094 13.6149 10.2799 13.615 -4.86412 25.0913 10.2799 25.0913 3.97834 GPRESSAVG: 1462600 21.0356 11.0992 11.8591 14.3353 -3.20007 26.5207 12.5307 22.9576 4.17656 TIMING: 1462600 CPU: 4568.39, 0.00312204/step Wall: 4568.39, 0.00312204/step, 3.06775 hours remaining, 234.437500 MB of memory in use. ENERGY: 1462600 4029.1331 20605.8740 14380.1550 236.8612 -202679.8563 2347.8306 0.0000 0.0000 51909.2209 -109170.7816 298.3230 -161080.0025 -108813.0190 299.6194 -166.2681 -140.0622 763690.3134 7.0694 7.3374 PRESSURE: 1462800 -145.57 93.2347 -137.731 93.2348 -54.4147 122.277 -137.73 122.277 75.5711 GPRESSURE: 1462800 30.1043 -17.5328 -79.9548 90.6501 -59.1413 174.675 -127.671 145.054 1.47235 PRESSAVG: 1462800 60.9597 -11.7676 0.369212 -11.7675 -40.1979 -0.830908 0.369238 -0.830878 -1.59731 GPRESSAVG: 1462800 62.7269 -9.53021 -0.673257 -11.9854 -40.1943 -1.1412 -2.4573 -0.308682 -3.03016 TIMING: 1462800 CPU: 4569.02, 0.00311487/step Wall: 4569.02, 0.00311487/step, 3.06053 hours remaining, 234.437500 MB of memory in use. ENERGY: 1462800 3998.9889 20520.5509 14335.1130 251.0707 -203076.4689 2826.0400 0.0000 0.0000 52050.9262 -109093.7792 299.1374 -161144.7054 -108727.1998 299.3342 -41.4713 -9.1882 762984.5256 6.3881 6.5008 PRESSURE: 1463000 -71.0123 97.9543 -12.7736 97.954 -9.90238 -0.870506 -12.7731 -0.870339 -120.408 GPRESSURE: 1463000 10.9607 169.127 34.7302 235.967 -15.499 75.506 -12.8153 18.6287 -113.296 PRESSAVG: 1463000 -42.2418 54.1011 22.159 54.1012 36.8172 -32.1814 22.159 -32.1814 -19.1584 GPRESSAVG: 1463000 -43.0211 54.5438 22.3972 54.9517 36.6775 -31.8174 22.7777 -33.4681 -17.8368 TIMING: 1463000 CPU: 4569.64, 0.00314552/step Wall: 4569.64, 0.00314552/step, 3.09047 hours remaining, 234.437500 MB of memory in use. ENERGY: 1463000 3977.0193 20558.4622 14468.4673 242.2732 -202885.1694 2575.7047 0.0000 0.0000 51982.2069 -109081.0359 298.7425 -161063.2428 -108719.1232 299.0223 -67.1074 -39.2780 762233.4543 -8.1943 -8.0601 PRESSURE: 1463200 -81.1681 -123.693 17.0742 -123.694 -155.03 -8.46679 17.0748 -8.46752 33.8711 GPRESSURE: 1463200 -155.928 -26.6126 96.302 -30.9576 31.72 -52.4261 -4.14882 -48.6025 15.3283 PRESSAVG: 1463200 42.8885 25.1586 -2.18924 25.1586 -16.091 16.0315 -2.1892 16.0316 -2.30436 GPRESSAVG: 1463200 43.0699 24.0193 0.0148576 24.0316 -16.3865 14.8318 -3.46655 16.2904 -1.54787 TIMING: 1463200 CPU: 4570.27, 0.00312392/step Wall: 4570.27, 0.00312392/step, 3.06908 hours remaining, 234.437500 MB of memory in use. ENERGY: 1463200 4034.6846 20554.1583 14408.3160 253.5378 -203255.8882 2510.8044 0.0000 0.0000 52394.6390 -109099.7479 301.1127 -161494.3870 -108728.7193 299.5536 -67.4422 -36.2933 760804.0068 8.1644 8.3785 PRESSURE: 1463400 -27.2724 -85.6549 123.349 -85.6555 -96.1953 129.134 123.349 129.134 -123.871 GPRESSURE: 1463400 39.5594 21.3779 51.4511 -27.2458 -171.443 75.9831 -22.8422 -25.5956 -23.6731 PRESSAVG: 1463400 -2.34207 37.1715 23.0747 37.1715 -2.05998 16.2484 23.0747 16.2483 -22.4399 GPRESSAVG: 1463400 -1.11772 36.7994 21.5684 37.8117 -2.33466 16.23 22.9999 15.811 -23.2493 TIMING: 1463400 CPU: 4570.89, 0.00312045/step Wall: 4570.89, 0.00312044/step, 3.06549 hours remaining, 234.437500 MB of memory in use. ENERGY: 1463400 3987.1344 20369.6205 14338.6815 262.7727 -202937.4024 2648.4507 0.0000 0.0000 52048.9110 -109281.8316 299.1258 -161330.7427 -108917.9396 299.5779 -82.4461 -51.8521 762697.9375 -8.9473 -8.9006 PRESSURE: 1463600 -393.293 119.088 427.796 119.088 0.106227 56.921 427.796 56.9204 159.525 GPRESSURE: 1463600 -279.109 168.537 406.603 221.984 -18.2515 132.702 274.897 120.09 139.106 PRESSAVG: 1463600 -28.9619 19.7733 52.9538 19.7732 8.78939 63.1356 52.9538 63.1356 0.720029 GPRESSAVG: 1463600 -28.4885 22.5424 53.7352 18.3617 9.08961 63.7222 53.1328 66.171 0.0150171 TIMING: 1463600 CPU: 4571.51, 0.00310429/step Wall: 4571.51, 0.00310429/step, 3.04945 hours remaining, 234.437500 MB of memory in use. ENERGY: 1463600 4035.3010 20497.7750 14406.3757 235.9181 -203151.6630 2768.0334 0.0000 0.0000 51820.6863 -109387.5737 297.8142 -161208.2599 -109031.8839 298.8473 -77.8873 -52.7517 762863.5840 -6.4841 -6.4613 PRESSURE: 1463800 -188.205 71.7116 -209.285 71.7119 -173.8 43.4227 -209.286 43.4228 -94.9491 GPRESSURE: 1463800 -154.935 69.079 -201.204 27.9796 -214.255 71.8612 -115.157 -13.9066 1.08545 PRESSAVG: 1463800 -22.7614 -50.7233 3.22441 -50.7233 16.9627 -39.9836 3.22435 -39.9836 -19.1896 GPRESSAVG: 1463800 -22.682 -51.9769 2.89683 -49.1102 15.4032 -40.5459 2.56538 -42.0387 -17.7655 TIMING: 1463800 CPU: 4572.14, 0.00312393/step Wall: 4572.14, 0.00312393/step, 3.06857 hours remaining, 234.437500 MB of memory in use. ENERGY: 1463800 3958.6573 20492.2350 14380.6060 236.2266 -203085.8577 2682.4680 0.0000 0.0000 51835.3393 -109500.3256 297.8984 -161335.6649 -109142.9393 298.3991 -152.3182 -122.7017 764288.2678 -8.3294 -8.3481 PRESSURE: 1464000 156.931 -38.915 -114.414 -38.9153 14.5628 80.3974 -114.414 80.3971 -90.7674 GPRESSURE: 1464000 211.319 -20.8838 -157.88 -65.857 75.5402 106.912 -50.1847 165.49 -115.776 PRESSAVG: 1464000 27.9004 -29.647 -39.3962 -29.647 -30.0373 -6.19826 -39.3962 -6.19823 -4.4948 GPRESSAVG: 1464000 26.8942 -29.3172 -39.1906 -30.973 -29.3609 -6.16665 -39.5744 -4.84138 -3.63441 TIMING: 1464000 CPU: 4572.76, 0.00312929/step Wall: 4572.76, 0.00312929/step, 3.07366 hours remaining, 234.437500 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: 1464000 3948.1562 20457.4246 14390.1961 244.8616 -203203.8462 2845.5603 0.0000 0.0000 51720.7502 -109596.8973 297.2399 -161317.6475 -109245.6545 298.4240 26.9087 57.0276 762201.3534 -2.2106 -2.0337 PRESSURE: 1464200 62.759 -71.9729 -235.631 -71.9731 -141.081 241.251 -235.63 241.252 338.168 GPRESSURE: 1464200 64.9473 -35.5562 -141.611 55.1225 -23.2532 225.447 -210.648 169.301 298.953 PRESSAVG: 1464200 1.10123 -35.3903 -16.4175 -35.3904 2.29198 38.3011 -16.4175 38.3012 -5.4253 GPRESSAVG: 1464200 1.7591 -39.3028 -16.3735 -33.7961 3.18323 39.7677 -16.2339 35.5125 -6.97904 TIMING: 1464200 CPU: 4573.39, 0.00313001/step Wall: 4573.39, 0.00313001/step, 3.07419 hours remaining, 234.437500 MB of memory in use. ENERGY: 1464200 3955.9664 20561.6830 14403.9653 229.4882 -203582.9556 3021.1596 0.0000 0.0000 51986.0197 -109424.6733 298.7644 -161410.6930 -109064.8201 298.6928 86.6153 113.5492 761252.9251 -0.6774 -0.6789 LDB: ============= START OF LOAD BALANCING ============== 4585.87 LDB: ============== END OF LOAD BALANCING =============== 4585.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4585.87 LDB: ============= START OF LOAD BALANCING ============== 4586.18 LDB: Largest compute 6983 load 0.029434 is 15.1% of average load 0.195111 LDB: Average compute 0.004372 is 2.2% of average load 0.195111 LDB: TIME 4586.19 LOAD: AVG 0.195111 MAX 0.215577 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.906 MB LDB: TIME 4586.19 LOAD: AVG 0.195111 MAX 0.215577 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.109 MB LDB: TIME 4586.19 LOAD: AVG 0.195111 MAX 0.215577 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.109 MB LDB: ============== END OF LOAD BALANCING =============== 4586.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4586.19 PRESSURE: 1464400 -34.6332 -199.012 28.5882 -199.012 -137.945 -132.424 28.587 -132.423 280.126 GPRESSURE: 1464400 -24.6159 -111.849 13.4109 -214.382 -40.5245 -42.6062 -12.2357 -42.1927 257.641 PRESSAVG: 1464400 87.6685 -68.0626 6.22254 -68.0626 -36.9935 -29.8497 6.22256 -29.8497 -5.24815 GPRESSAVG: 1464400 87.4929 -64.5478 7.55403 -68.93 -36.1865 -30.4536 5.15363 -27.9269 -5.93019 TIMING: 1464400 CPU: 4574.03, 0.00318858/step Wall: 4574.03, 0.00318858/step, 3.13154 hours remaining, 234.167969 MB of memory in use. ENERGY: 1464400 3942.1326 20549.9008 14397.9022 255.8858 -203314.8890 2696.6652 0.0000 0.0000 52091.7371 -109380.6654 299.3719 -161472.4025 -109015.3688 299.0662 35.8493 64.1670 761675.0877 15.1423 15.1254 PRESSURE: 1464600 343.56 62.7682 159.705 62.7688 49.7707 105.059 159.705 105.059 -269.843 GPRESSURE: 1464600 427.541 46.2193 -12.1432 24.6761 -2.4065 117.762 219.762 32.2984 -222.578 PRESSAVG: 1464600 25.0692 -15.2389 13.625 -15.2388 -26.5154 1.09551 13.625 1.09543 -14.7256 GPRESSAVG: 1464600 25.0078 -17.3045 12.4936 -15.0406 -26.4188 0.940424 13.6479 0.439837 -14.5642 TIMING: 1464600 CPU: 4574.65, 0.00312129/step Wall: 4574.65, 0.00312129/step, 3.06528 hours remaining, 234.371094 MB of memory in use. ENERGY: 1464600 4073.8627 20429.8517 14373.2102 249.9115 -203352.9816 2851.6597 0.0000 0.0000 52011.7651 -109362.7209 298.9123 -161374.4859 -109006.0603 299.0372 41.1624 67.5185 762992.1585 -5.3906 -5.3251 PRESSURE: 1464800 101.432 -92.6471 58.7011 -92.6475 400.864 103.83 58.702 103.83 387.632 GPRESSURE: 1464800 111.02 -193.865 89.5967 -157.201 472.414 30.3641 47.7761 42.1324 403.356 PRESSAVG: 1464800 -8.09798 -56.29 38.2227 -56.29 -11.0693 -6.53764 38.2228 -6.53761 16.7693 GPRESSAVG: 1464800 -8.40137 -53.76 36.6979 -55.1112 -10.452 -6.43039 40.8835 -8.03832 17.1819 TIMING: 1464800 CPU: 4575.28, 0.00313542/step Wall: 4575.28, 0.00313542/step, 3.07898 hours remaining, 234.371094 MB of memory in use. ENERGY: 1464800 3931.6989 20371.3246 14425.8557 229.9769 -202962.1136 2747.5660 0.0000 0.0000 51659.9759 -109595.7155 296.8906 -161255.6915 -109233.4812 298.8186 296.6429 328.9301 763697.9664 -0.7993 -0.5571 PRESSURE: 1465000 -127.218 -204.709 -180.167 -204.709 -226.683 -274.869 -180.168 -274.869 293.743 GPRESSURE: 1465000 -162.64 -127.141 -72.6689 -92.087 -103.69 -206.355 -132.361 -93.1649 285.14 PRESSAVG: 1465000 36.4331 -53.237 -2.99247 -53.237 -15.2819 20.4587 -2.99248 20.4587 -16.5763 GPRESSAVG: 1465000 35.2703 -54.1804 -1.73715 -54.7447 -15.4843 19.1912 -2.91562 22.6072 -15.6702 TIMING: 1465000 CPU: 4575.91, 0.00316027/step Wall: 4575.91, 0.00316027/step, 3.10321 hours remaining, 234.371094 MB of memory in use. ENERGY: 1465000 4010.0607 20481.9520 14411.0489 263.0398 -203631.1831 2871.6245 0.0000 0.0000 52048.1429 -109545.3143 299.1214 -161593.4572 -109189.8218 298.1220 -20.0527 6.2700 763232.0171 1.5249 1.3719 PRESSURE: 1465200 109.013 33.7262 206.001 33.7268 -132.323 -155.603 206.001 -155.603 -142.437 GPRESSURE: 1465200 60.6019 67.464 270.865 30.5976 -20.9394 -186.892 156.057 -219.892 -142.106 PRESSAVG: 1465200 -3.4347 0.0401142 27.5701 0.0401366 -16.0038 22.3649 27.5701 22.3649 7.98873 GPRESSAVG: 1465200 -3.63625 -0.134168 26.6936 -0.754979 -16.1262 23.3107 26.1262 20.4347 7.99623 TIMING: 1465200 CPU: 4576.54, 0.003121/step Wall: 4576.54, 0.003121/step, 3.06448 hours remaining, 234.371094 MB of memory in use. ENERGY: 1465200 3928.1877 20413.6624 14410.4369 232.4742 -203449.0686 2871.0229 0.0000 0.0000 51915.4967 -109677.7877 298.3591 -161593.2845 -109309.7271 298.2813 -55.2490 -34.1480 762641.1900 -3.8166 -3.9221 PRESSURE: 1465400 -319.368 -100.987 167.121 -100.986 14.1094 6.72261 167.121 6.72291 -317.045 GPRESSURE: 1465400 -244.989 -216.776 130.689 -32.7017 -44.2401 57.8042 149.768 50.5192 -262.797 PRESSAVG: 1465400 33.4292 -76.2453 -22.7913 -76.2453 -4.37459 25.156 -22.7913 25.156 -23.4322 GPRESSAVG: 1465400 33.9828 -77.7371 -21.1942 -74.5 -4.12797 24.7282 -21.833 24.5142 -24.5975 TIMING: 1465400 CPU: 4577.16, 0.0031408/step Wall: 4577.16, 0.0031408/step, 3.08374 hours remaining, 234.371094 MB of memory in use. ENERGY: 1465400 3996.3625 20332.0165 14347.5825 243.5865 -203313.4593 2795.6861 0.0000 0.0000 51830.6497 -109767.5755 297.8715 -161598.2252 -109399.5148 298.2439 -207.4345 -184.0088 764199.5806 1.8741 1.7525 PRESSURE: 1465600 -327.41 -2.73305 -212.608 -2.73349 -567.213 113.608 -212.608 113.607 -510.425 GPRESSURE: 1465600 -267.624 -97.9942 -197.84 80.0551 -556.554 65.1314 -298.921 52.5991 -470.851 PRESSAVG: 1465600 55.9729 -40.0576 -8.41616 -40.0576 -45.3098 17.4834 -8.41614 17.4834 -3.93748 GPRESSAVG: 1465600 56.726 -39.6419 -9.57632 -40.1815 -45.3992 17.1491 -9.53929 19.1731 -3.45608 TIMING: 1465600 CPU: 4577.79, 0.00313718/step Wall: 4577.79, 0.00313718/step, 3.08002 hours remaining, 234.371094 MB of memory in use. ENERGY: 1465600 4025.0909 20461.7896 14293.3952 250.7965 -202935.4364 2297.2563 0.0000 0.0000 51864.0635 -109743.0445 298.0635 -161607.1079 -109382.7836 297.8807 -468.3491 -431.6762 762399.8927 2.2419 2.6236 PRESSURE: 1465800 -378.714 120.426 251.891 120.426 -220.413 419.392 251.892 419.391 -139.008 GPRESSURE: 1465800 -287.737 100.529 272.637 110.101 -231.719 389.439 174.884 282.087 -120.796 PRESSAVG: 1465800 4.46073 -38.8776 -25.3637 -38.8775 -46.2601 53.5194 -25.3636 53.5194 -25.4995 GPRESSAVG: 1465800 4.49501 -37.8103 -25.2758 -40.3034 -46.5681 55.825 -24.1277 54.5803 -25.4268 TIMING: 1465800 CPU: 4578.42, 0.00314355/step Wall: 4578.42, 0.00314355/step, 3.08609 hours remaining, 234.371094 MB of memory in use. ENERGY: 1465800 3944.0662 20402.9504 14371.8136 238.2001 -202983.3580 2478.6005 0.0000 0.0000 51545.7549 -110001.9724 296.2342 -161547.7273 -109638.5666 297.9054 -246.0450 -213.4173 763112.8212 -22.4330 -22.5000 PRESSURE: 1466000 155.96 -140.949 111.783 -140.949 67.4638 -270.025 111.783 -270.025 208.134 GPRESSURE: 1466000 236.579 -155.401 68.0293 -189.501 63.31 -276.013 206.648 -287.093 204.679 PRESSAVG: 1466000 73.5879 -62.2595 -0.785072 -62.2595 -64.5787 23.6081 -0.785002 23.6082 -14.2248 GPRESSAVG: 1466000 73.2121 -62.4737 -2.01895 -61.0294 -65.8064 22.4694 -2.33966 22.8696 -13.1887 TIMING: 1466000 CPU: 4579.04, 0.00311137/step Wall: 4579.04, 0.00311137/step, 3.05433 hours remaining, 234.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1466000 3969.8530 20393.3008 14437.9122 260.1756 -203909.3699 2974.3839 0.0000 0.0000 51988.1966 -109885.5478 298.7769 -161873.7444 -109524.3329 298.0515 143.8527 168.1892 759419.9068 -1.7385 -1.9277 PRESSURE: 1466200 25.1159 -109.084 -126.636 -109.084 62.7442 -187.674 -126.637 -187.675 -274.033 GPRESSURE: 1466200 61.6931 -194.874 -69.1985 -65.4855 11.5313 -158.202 -110.926 -102.263 -152.521 PRESSAVG: 1466200 14.8055 -63.9202 27.1612 -63.9201 -21.844 2.22922 27.1613 2.22919 1.10181 GPRESSAVG: 1466200 15.8337 -63.9871 28.7045 -62.7956 -21.6209 4.18385 29.5617 2.13346 -0.555065 TIMING: 1466200 CPU: 4579.67, 0.00313529/step Wall: 4579.67, 0.00313529/step, 3.07763 hours remaining, 234.371094 MB of memory in use. ENERGY: 1466200 3972.2766 20383.1191 14406.6706 261.1551 -203549.6758 2741.1170 0.0000 0.0000 51792.7573 -109992.5802 297.6537 -161785.3374 -109627.0759 298.1512 -62.0576 -26.4323 761218.9810 -1.9789 -2.1141 PRESSURE: 1466400 109.841 88.6259 1.26612 88.6258 18.8096 107.42 1.26626 107.419 264.836 GPRESSURE: 1466400 114.981 19.0695 -13.188 71.373 103.984 46.1328 123.531 166.867 260.933 PRESSAVG: 1466400 54.757 -53.638 2.96309 -53.6381 -104.583 15.7366 2.96306 15.7365 15.2715 GPRESSAVG: 1466400 53.7266 -51.8961 0.598562 -55.5216 -104.631 14.0731 0.122274 16.78 16.338 TIMING: 1466400 CPU: 4580.3, 0.00313101/step Wall: 4580.3, 0.00313101/step, 3.07326 hours remaining, 234.371094 MB of memory in use. ENERGY: 1466400 3994.8482 20522.0284 14479.0402 250.6611 -203561.7813 2742.4503 0.0000 0.0000 51923.0941 -109649.6589 298.4027 -161572.7530 -109289.2459 298.5394 131.1619 159.9661 760518.8688 -11.5182 -11.5221 PRESSURE: 1466600 -534.428 -32.5662 -217.227 -32.5661 -437.74 45.8285 -217.228 45.8277 -280.454 GPRESSURE: 1466600 -495.016 -60.5035 -226.806 116.251 -424.741 -31.8709 -144.101 20.9853 -250.539 PRESSAVG: 1466600 77.9423 -62.9006 36.7408 -62.9005 -46.9133 -23.8061 36.7408 -23.8062 1.51546 GPRESSAVG: 1466600 78.974 -64.315 38.8028 -61.9042 -46.5879 -24.4273 39.308 -23.4479 0.465375 TIMING: 1466600 CPU: 4580.93, 0.00314709/step Wall: 4580.93, 0.00314709/step, 3.08887 hours remaining, 234.371094 MB of memory in use. ENERGY: 1466600 4057.8457 20530.1095 14335.7003 256.3325 -202732.0504 2269.9251 0.0000 0.0000 51669.2889 -109612.8484 296.9441 -161282.1373 -109260.5290 298.9130 -417.5409 -390.0990 762772.7057 10.8482 10.9505 PRESSURE: 1466800 415.255 -240.805 -26.5294 -240.805 22.7071 -158.756 -26.5294 -158.757 256.901 GPRESSURE: 1466800 548.57 -123.936 17.0339 -123.216 69.7755 -101.442 -102.897 -87.8739 171.716 PRESSAVG: 1466800 57.729 -34.3187 -4.44016 -34.3187 -63.6561 -8.28233 -4.44011 -8.28233 -3.47594 GPRESSAVG: 1466800 58.7668 -32.8411 -6.0132 -33.2587 -64.3118 -7.85034 -5.86384 -9.14092 -4.11309 TIMING: 1466800 CPU: 4581.55, 0.00310968/step Wall: 4581.55, 0.00310968/step, 3.05198 hours remaining, 234.371094 MB of memory in use. ENERGY: 1466800 3922.3862 20429.3857 14410.1689 246.4740 -203173.3416 2890.3191 0.0000 0.0000 51799.0600 -109475.5477 297.6899 -161274.6077 -109113.8654 298.7178 231.6209 263.3540 761900.3013 -3.1344 -3.2194 PRESSURE: 1467000 -286.953 -112.122 158.362 -112.122 -266.084 -62.1636 158.362 -62.1631 -190.934 GPRESSURE: 1467000 -254.511 -95.4814 213.524 -1.80862 -226.161 -97.0222 123.221 82.3607 -191.205 PRESSAVG: 1467000 108.026 -28.9056 10.09 -28.9056 -94.3425 30.6149 10.09 30.6149 4.70388 GPRESSAVG: 1467000 106.686 -29.6512 11.2571 -28.4587 -93.7011 29.7322 10.0649 32.4307 4.66972 TIMING: 1467000 CPU: 4582.17, 0.00311754/step Wall: 4582.17, 0.00311754/step, 3.05952 hours remaining, 234.371094 MB of memory in use. ENERGY: 1467000 4015.0770 20445.2938 14439.5212 224.9372 -203230.6900 2655.2325 0.0000 0.0000 51843.1083 -109607.5200 297.9431 -161450.6283 -109236.0581 298.4909 -247.9903 -223.9589 762034.9441 6.1293 5.8850 PRESSURE: 1467200 -122.49 -1.59807 166.402 -1.59796 -188.409 24.1192 166.402 24.1185 -247.395 GPRESSURE: 1467200 -78.0292 -84.3591 117.291 25.1065 -164.281 -9.17898 207.913 39.3893 -233.051 PRESSAVG: 1467200 38.5285 -6.99805 38.038 -6.99813 -66.067 24.4524 38.038 24.4524 -15.2376 GPRESSAVG: 1467200 38.0312 -6.15157 36.0539 -7.69863 -65.7016 24.5416 38.023 21.2751 -14.4351 TIMING: 1467200 CPU: 4582.79, 0.0031111/step Wall: 4582.79, 0.0031111/step, 3.05303 hours remaining, 234.371094 MB of memory in use. ENERGY: 1467200 4042.9064 20264.7135 14404.4728 256.0950 -203050.4967 2551.6731 0.0000 0.0000 52051.9082 -109478.7278 299.1430 -161530.6360 -109116.0887 298.3987 -186.0981 -158.4539 762849.8806 -14.2587 -14.0351 PRESSURE: 1467400 59.7244 -149.724 -28.2806 -149.724 96.1044 26.1307 -28.2802 26.1312 131.869 GPRESSURE: 1467400 90.4824 -41.0301 -19.4927 -209.172 92.4956 40.2853 143.953 84.5922 166.022 PRESSAVG: 1467400 75.4034 3.09242 18.5805 3.09245 -32.906 21.7887 18.5805 21.7888 69.845 GPRESSAVG: 1467400 75.5742 2.54543 20.0775 1.84866 -33.1245 22.2889 19.3218 23.7286 70.1409 TIMING: 1467400 CPU: 4583.42, 0.00311948/step Wall: 4583.42, 0.00311948/step, 3.06108 hours remaining, 234.371094 MB of memory in use. ENERGY: 1467400 3954.9261 20485.1548 14373.8298 258.2847 -202927.3570 2690.9824 0.0000 0.0000 51831.8294 -109332.3498 297.8782 -161164.1791 -108979.3606 298.8969 95.8993 116.3333 764374.2724 37.4475 37.5302 PRESSURE: 1467600 2.88296 -79.9527 18.119 -79.9523 -20.7805 51.8433 18.1182 51.8424 260.63 GPRESSURE: 1467600 43.6192 -104.806 36.1739 -38.6683 6.26847 127.389 -89.8581 55.531 274.947 PRESSAVG: 1467600 19.5106 -43.4006 1.89656 -43.4006 -85.1655 -35.002 1.89656 -35.0021 2.46675 GPRESSAVG: 1467600 20.7841 -43.6428 2.08348 -43.3917 -84.4636 -35.8337 -0.353554 -35.9897 0.765633 TIMING: 1467600 CPU: 4584.04, 0.00312981/step Wall: 4584.04, 0.00312981/step, 3.07104 hours remaining, 234.371094 MB of memory in use. ENERGY: 1467600 3937.0646 20458.2601 14368.3405 232.0023 -202924.4163 2524.9644 0.0000 0.0000 51861.9857 -109541.7985 298.0515 -161403.7843 -109177.4563 298.6212 80.9107 108.2782 764607.5196 -21.0627 -20.9713 PRESSURE: 1467800 -165.364 -14.825 -234.326 -14.8244 -144.122 -59.2264 -234.325 -59.2263 50.4201 GPRESSURE: 1467800 -77.7679 13.5047 -269.482 -54.4589 -175.806 -173.62 -223.671 -83.9922 92.7272 PRESSAVG: 1467800 48.8662 -52.6368 -52.5778 -52.6368 -20.8829 -24.1423 -52.5778 -24.1423 27.9521 GPRESSAVG: 1467800 48.3511 -53.6202 -50.7791 -53.4139 -22.5746 -23.0494 -51.3792 -24.3107 29.99 TIMING: 1467800 CPU: 4584.67, 0.00314521/step Wall: 4584.67, 0.00314521/step, 3.08597 hours remaining, 234.371094 MB of memory in use. ENERGY: 1467800 4000.9078 20288.0387 14355.5352 251.5099 -203120.8401 2655.5586 0.0000 0.0000 51843.2483 -109726.0416 297.9439 -161569.2899 -109364.7344 298.3886 -86.3553 -53.6156 762269.2416 18.6451 18.5888 PRESSURE: 1468000 -113.015 -118.111 91.542 -118.11 26.007 12.3756 91.5421 12.3757 -262.213 GPRESSURE: 1468000 12.6754 -74.1795 -51.0728 -164.809 18.5991 -6.38337 91.6537 39.3208 -295.233 PRESSAVG: 1468000 33.8956 -35.5842 -80.8058 -35.5842 -4.95365 -23.0382 -80.8057 -23.0382 -17.1492 GPRESSAVG: 1468000 34.4205 -34.9323 -83.1769 -36.1337 -3.96479 -24.0431 -79.1826 -23.7269 -18.3175 TIMING: 1468000 CPU: 4585.3, 0.00312299/step Wall: 4585.3, 0.00312299/step, 3.064 hours remaining, 234.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1468000 3982.5915 20460.0455 14370.1707 243.7605 -203215.5971 2622.4591 0.0000 0.0000 51793.7529 -109742.8169 297.6594 -161536.5698 -109377.5958 298.3467 -116.4071 -87.9863 761953.5273 3.9309 4.0461 PRESSURE: 1468200 217.396 -7.54305 143.302 -7.54282 190.861 -42.6412 143.302 -42.6418 -59.3263 GPRESSURE: 1468200 260.058 -76.1717 211.683 53.4477 135.495 30.6622 143.189 -22.9399 42.6047 PRESSAVG: 1468200 38.6925 -43.5719 12.3427 -43.5719 -35.3219 -27.335 12.3426 -27.335 13.2351 GPRESSAVG: 1468200 38.7389 -42.7839 13.8288 -40.562 -35.8708 -27.1365 10.8942 -24.9545 13.7733 TIMING: 1468200 CPU: 4585.92, 0.00313319/step Wall: 4585.92, 0.00313319/step, 3.07383 hours remaining, 234.371094 MB of memory in use. ENERGY: 1468200 4008.7549 20344.1395 14339.9630 223.3234 -203241.1762 2678.9068 0.0000 0.0000 51842.4826 -109803.6059 297.9395 -161646.0885 -109454.6646 297.9852 116.3102 146.0526 761895.8095 5.5352 5.5471 LDB: ============= START OF LOAD BALANCING ============== 4598.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4598.4 LDB: =============== DONE WITH MIGRATION ================ 4598.41 LDB: ============= START OF LOAD BALANCING ============== 4598.72 LDB: Largest compute 7052 load 0.028998 is 14.9% of average load 0.195071 LDB: Average compute 0.004381 is 2.2% of average load 0.195071 LDB: TIME 4598.72 LOAD: AVG 0.195071 MAX 0.212617 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.824 MB LDB: TIME 4598.72 LOAD: AVG 0.195071 MAX 0.212617 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.824 MB LDB: TIME 4598.72 LOAD: AVG 0.195071 MAX 0.212617 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.824 MB LDB: ============== END OF LOAD BALANCING =============== 4598.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4598.73 PRESSURE: 1468400 -208.641 -154.812 124.948 -154.811 -136.585 -78.6114 124.949 -78.6119 -87.9484 GPRESSURE: 1468400 -105.586 -158.014 68.1965 -145.315 -111.806 -72.1229 -55.8936 3.23198 -121.954 PRESSAVG: 1468400 20.2745 12.7601 -0.188816 12.7601 -15.1015 -18.4176 -0.18883 -18.4177 -0.444451 GPRESSAVG: 1468400 20.0162 11.9949 -0.771808 11.164 -13.7068 -18.4173 1.12138 -18.5142 -1.42723 TIMING: 1468400 CPU: 4586.56, 0.00319774/step Wall: 4586.56, 0.00319774/step, 3.13698 hours remaining, 234.511719 MB of memory in use. ENERGY: 1468400 4002.3378 20452.5806 14347.4862 244.3321 -203426.9640 2510.9517 0.0000 0.0000 52257.5975 -109611.6783 300.3251 -161869.2757 -109242.7848 298.0628 -144.3917 -113.1157 763349.2484 1.5762 1.6274 PRESSURE: 1468600 363.131 61.9681 469.397 61.9669 -276.165 -267.294 469.397 -267.294 43.8496 GPRESSURE: 1468600 267.034 147.202 465.076 39.4354 -159.251 -219.469 413.638 -127.334 117.506 PRESSAVG: 1468600 7.06296 -4.93816 23.8765 -4.93815 -27.1063 22.9599 23.8765 22.9599 -5.679 GPRESSAVG: 1468600 7.17136 -4.09074 23.8906 -4.25032 -26.9643 24.0686 21.9634 21.9265 -6.05547 TIMING: 1468600 CPU: 4587.19, 0.0031227/step Wall: 4587.19, 0.0031227/step, 3.06319 hours remaining, 234.511719 MB of memory in use. ENERGY: 1468600 3975.0500 20580.1704 14342.6925 280.1376 -203273.7224 2693.3062 0.0000 0.0000 51765.7166 -109636.6489 297.4983 -161402.3656 -109275.9832 298.7337 43.6050 75.0963 762350.6481 -8.5741 -8.6161 PRESSURE: 1468800 538.572 73.7757 -299.656 73.7757 145.001 -45.0436 -299.656 -45.0442 376.722 GPRESSURE: 1468800 572.36 98.6661 -272.686 42.62 159.801 57.0646 -270.59 -14.7134 413.022 PRESSAVG: 1468800 -2.76964 34.8423 -25.2444 34.8423 -25.5804 -2.80286 -25.2445 -2.80279 -6.04744 GPRESSAVG: 1468800 -4.3985 36.1604 -25.747 34.4558 -24.2942 -2.18852 -24.0953 -3.17833 -5.70864 TIMING: 1468800 CPU: 4587.81, 0.00312647/step Wall: 4587.81, 0.00312647/step, 3.06672 hours remaining, 234.511719 MB of memory in use. ENERGY: 1468800 3991.8732 20468.3391 14349.7345 231.0378 -203511.9318 3174.1380 0.0000 0.0000 51717.5881 -109579.2212 297.2217 -161296.8093 -109226.0103 298.2913 353.4318 381.7275 764440.8274 -11.4658 -11.4671 PRESSURE: 1469000 -242.706 158.512 54.295 158.512 163.885 -25.945 54.2947 -25.9456 -176.809 GPRESSURE: 1469000 -208.263 187.309 77.9606 66.0612 157.023 -119.207 1.88369 36.3377 -110.458 PRESSAVG: 1469000 73.5449 2.05208 -12.8126 2.05211 -94.3816 -5.29159 -12.8126 -5.29162 -9.40572 GPRESSAVG: 1469000 74.4362 0.788258 -13.3278 0.405445 -96.4302 -5.84626 -13.4741 -4.65853 -7.9971 TIMING: 1469000 CPU: 4588.44, 0.00314508/step Wall: 4588.44, 0.00314508/step, 3.0848 hours remaining, 234.511719 MB of memory in use. ENERGY: 1469000 3984.3910 20280.2416 14355.3226 235.8500 -203774.6675 3014.6371 0.0000 0.0000 52307.6956 -109596.5296 300.6130 -161904.2252 -109225.4202 298.7053 -85.2098 -53.8992 763890.3241 -10.0808 -9.9970 PRESSURE: 1469200 -235.202 32.7185 63.9246 32.7184 -39.6623 112.395 63.9251 112.395 -198.701 GPRESSURE: 1469200 -240.078 -49.1511 15.8211 27.2249 -18.6614 55.831 91.6462 95.8316 -117.918 PRESSAVG: 1469200 -35.5091 -19.5623 18.5485 -19.5623 -23.2966 5.08071 18.5486 5.08067 13.2049 GPRESSAVG: 1469200 -34.6882 -20.9032 20.4078 -18.345 -24.4407 5.22518 17.7388 3.557 13.3164 TIMING: 1469200 CPU: 4589.07, 0.00311784/step Wall: 4589.07, 0.00311784/step, 3.0579 hours remaining, 234.566406 MB of memory in use. ENERGY: 1469200 3935.4923 20533.8183 14419.6802 238.6248 -203282.2265 2704.8317 0.0000 0.0000 52120.2183 -109329.5610 299.5356 -161449.7793 -108972.7091 299.1688 -157.8550 -125.5523 764000.4704 -15.2002 -15.2709 PRESSURE: 1469400 -54.0612 13.8695 -173.846 13.8698 -277.408 61.841 -173.846 61.8409 -288.618 GPRESSURE: 1469400 -95.5225 14.0625 -242.863 -23.0464 -193.741 32.5411 2.09207 65.2465 -253.463 PRESSAVG: 1469400 -41.4574 -37.4827 9.5748 -37.4827 29.3403 -55.621 9.57482 -55.6212 -19.6016 GPRESSAVG: 1469400 -43.4864 -36.7736 10.2522 -36.4403 30.798 -56.5487 11.5441 -55.2595 -19.2514 TIMING: 1469400 CPU: 4589.69, 0.0031313/step Wall: 4589.69, 0.0031313/step, 3.07094 hours remaining, 234.769531 MB of memory in use. ENERGY: 1469400 3952.2960 20488.4413 14427.8898 262.1601 -203085.7778 2513.9202 0.0000 0.0000 52057.9922 -109383.0783 299.1780 -161441.0705 -109028.9333 299.1676 -206.6958 -180.9091 763053.0646 -10.5729 -10.6466 PRESSURE: 1469600 381.501 -130.373 -13.4496 -130.372 418.857 -108.505 -13.449 -108.505 -70.8232 GPRESSURE: 1469600 431.323 -114.102 66.6623 -62.2739 436.871 -42.6867 -53.2902 -193.814 -52.9451 PRESSAVG: 1469600 33.1144 -27.9239 -6.91953 -27.924 1.16997 3.89446 -6.91961 3.89443 -9.32709 GPRESSAVG: 1469600 34.8905 -29.3798 -6.61185 -28.6267 -0.29769 3.89353 -7.75841 3.54889 -9.79646 TIMING: 1469600 CPU: 4590.32, 0.00313674/step Wall: 4590.32, 0.00313674/step, 3.0761 hours remaining, 234.769531 MB of memory in use. ENERGY: 1469600 3886.0919 20487.6927 14365.8072 273.8179 -203637.8257 2965.2164 0.0000 0.0000 52126.7781 -109532.4215 299.5733 -161659.1996 -109167.5499 299.0280 243.1781 271.7496 760603.3398 8.3191 8.2655 PRESSURE: 1469800 73.0246 95.1067 162.353 95.107 -107.273 17.8838 162.354 17.8842 -171.471 GPRESSURE: 1469800 81.0326 191.283 250.16 128.273 -52.6811 81.2295 77.157 211.868 -138.654 PRESSAVG: 1469800 -58.8847 4.01225 17.5384 4.01221 6.46388 -30.4447 17.5384 -30.4448 21.4947 GPRESSAVG: 1469800 -59.7726 6.90188 16.6265 3.83053 7.88966 -29.9684 16.3844 -28.5464 20.6572 TIMING: 1469800 CPU: 4590.95, 0.00313539/step Wall: 4590.95, 0.00313539/step, 3.0746 hours remaining, 234.769531 MB of memory in use. ENERGY: 1469800 3959.6870 20485.6101 14371.5785 243.8806 -203599.8439 2880.3965 0.0000 0.0000 52244.4489 -109414.2425 300.2496 -161658.6914 -109043.9965 299.3390 -68.5731 -36.7675 762367.1506 -10.3087 -10.4086 PRESSURE: 1470000 -10.2939 -91.3667 -88.4331 -91.3667 -343.387 -19.573 -88.4336 -19.573 -693.6 GPRESSURE: 1470000 -27.8981 -87.6949 -77.812 -141.832 -227.885 -64.2888 -152.151 -44.9151 -714.587 PRESSAVG: 1470000 53.248 -27.0426 -12.8147 -27.0426 -37.4668 -9.58876 -12.8147 -9.58879 -13.532 GPRESSAVG: 1470000 53.701 -27.8717 -13.396 -27.4851 -38.1949 -9.65894 -12.115 -11.1089 -12.6838 TIMING: 1470000 CPU: 4591.57, 0.00313023/step Wall: 4591.57, 0.00313023/step, 3.06936 hours remaining, 234.769531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1470000 3979.7193 20679.7851 14329.7646 235.3895 -203259.4450 2596.5355 0.0000 0.0000 52100.7907 -109337.4603 299.4240 -161438.2511 -108979.1715 299.6591 -349.0936 -323.4568 762616.1822 0.7497 0.9408 PRESSURE: 1470200 17.0806 -8.65122 32.2382 -8.6506 -0.494634 27.4408 32.2384 27.4404 320.235 GPRESSURE: 1470200 101.82 10.9288 42.9546 30.2785 22.0261 74.4032 199.014 -70.1859 304.501 PRESSAVG: 1470200 73.1224 15.9728 10.7857 15.9727 -57.1926 -19.8183 10.7856 -19.8182 -5.9602 GPRESSAVG: 1470200 73.3234 17.6641 11.7075 14.2636 -57.9297 -20.1762 10.0137 -20.1638 -5.10845 TIMING: 1470200 CPU: 4592.2, 0.00313703/step Wall: 4592.2, 0.00313703/step, 3.07586 hours remaining, 234.769531 MB of memory in use. ENERGY: 1470200 4020.9729 20609.4665 14344.7294 244.1898 -203387.1751 2653.8551 0.0000 0.0000 52076.0467 -109437.9147 299.2818 -161513.9614 -109071.5484 299.0369 112.2736 142.7825 761077.7195 3.3232 3.4284 PRESSURE: 1470400 26.9707 -26.0281 94.3245 -26.0283 117.925 -193.503 94.3242 -193.503 -119.195 GPRESSURE: 1470400 11.5115 -33.8824 79.7956 54.9285 191.834 -221.85 162.94 -80.4224 -79.5653 PRESSAVG: 1470400 31.6583 29.5252 -12.8095 29.5252 -18.9209 7.42507 -12.8095 7.42507 8.19719 GPRESSAVG: 1470400 31.7287 24.7881 -14.9371 33.7133 -18.1672 8.34952 -11.1842 8.80821 7.24923 TIMING: 1470400 CPU: 4592.82, 0.00311836/step Wall: 4592.82, 0.00311836/step, 3.05738 hours remaining, 234.769531 MB of memory in use. ENERGY: 1470400 3974.8897 20474.3594 14391.4475 266.0351 -203352.9188 2655.5581 0.0000 0.0000 52331.3490 -109259.2800 300.7490 -161590.6290 -108900.2494 299.3177 8.5667 41.2600 760388.8784 6.9782 6.9369 PRESSURE: 1470600 -291.242 6.8479 193.632 6.84812 -64.8117 79.7119 193.632 79.7122 -199.171 GPRESSURE: 1470600 -174.011 -5.61469 134.98 33.556 -32.5244 -9.78024 161.01 140.208 -250.746 PRESSAVG: 1470600 10.6819 46.7609 21.8985 46.7609 -15.7673 -45.1995 21.8984 -45.1995 -8.27408 GPRESSAVG: 1470600 9.94048 47.8631 21.8757 44.6636 -15.2264 -45.6195 21.1294 -45.7166 -8.53246 TIMING: 1470600 CPU: 4593.45, 0.00312095/step Wall: 4593.45, 0.00312095/step, 3.05975 hours remaining, 234.769531 MB of memory in use. ENERGY: 1470600 4055.1450 20558.3532 14360.0441 251.1962 -203278.2772 2588.8351 0.0000 0.0000 52091.1212 -109373.5824 299.3684 -161464.7036 -109019.5730 299.4031 -185.0750 -152.4273 761802.1694 -4.4532 -4.6061 PRESSURE: 1470800 448.433 86.8613 72.4225 86.8609 416.615 28.5672 72.4228 28.5691 135.152 GPRESSURE: 1470800 476.962 27.4919 140.219 13.39 376.287 75.7894 65.5981 -70.1636 231.717 PRESSAVG: 1470800 42.1443 6.16326 30.1564 6.1633 -20.4448 26.1019 30.1565 26.1019 -2.65454 GPRESSAVG: 1470800 42.726 6.89974 31.2761 4.90939 -21.2554 25.2173 28.1306 28.0308 -2.53242 TIMING: 1470800 CPU: 4594.07, 0.00311978/step Wall: 4594.07, 0.00311979/step, 3.05843 hours remaining, 234.769531 MB of memory in use. ENERGY: 1470800 3972.8962 20640.7367 14238.2782 274.9804 -203906.2794 3029.4649 0.0000 0.0000 52151.4347 -109598.4884 299.7150 -161749.9231 -109244.3909 298.8847 333.3998 361.6553 761568.3868 6.3483 6.3127 PRESSURE: 1471000 112.572 -106.077 55.3446 -106.077 -168.152 124.229 55.3444 124.228 149.622 GPRESSURE: 1471000 92.9637 -167.745 33.9716 -142.043 -77.8518 162.058 23.8493 160.479 172.347 PRESSAVG: 1471000 78.3137 -7.22657 -1.75559 -7.22652 -2.06407 16.4122 -1.75555 16.4123 -26.4228 GPRESSAVG: 1471000 77.6082 -7.68608 -1.26177 -6.22864 -0.420513 17.0847 -1.17969 14.4477 -27.1551 TIMING: 1471000 CPU: 4594.7, 0.00313129/step Wall: 4594.7, 0.00313129/step, 3.06954 hours remaining, 234.753906 MB of memory in use. ENERGY: 1471000 3975.5549 20687.9774 14372.3843 232.4596 -203707.3321 3057.9728 0.0000 0.0000 51713.3777 -109667.6054 297.1975 -161380.9831 -109316.8125 298.8695 31.3475 62.4863 761659.5173 16.6089 16.6776 PRESSURE: 1471200 11.552 -80.7192 2.23279 -80.7197 105.945 82.8137 2.2329 82.8133 23.0184 GPRESSURE: 1471200 15.2507 -85.0838 -41.5863 -108.635 234.683 24.3958 -67.1779 165.374 -7.22957 PRESSAVG: 1471200 2.08432 -6.75682 -27.8393 -6.75681 3.18277 7.34523 -27.8393 7.3452 16.7188 GPRESSAVG: 1471200 2.7774 -4.41406 -28.9342 -8.39824 2.02713 8.03063 -25.65 7.16625 17.7822 TIMING: 1471200 CPU: 4595.33, 0.00314638/step Wall: 4595.33, 0.00314638/step, 3.08415 hours remaining, 234.753906 MB of memory in use. ENERGY: 1471200 4037.7696 20358.2288 14301.6288 239.9189 -203558.2984 2844.7138 0.0000 0.0000 52007.4307 -109768.6078 298.8874 -161776.0385 -109422.9892 298.1865 46.8385 80.9014 761734.0238 7.3286 7.5289 PRESSURE: 1471400 -358.891 -14.3906 -209.014 -14.3908 -159.109 278.342 -209.015 278.341 83.8693 GPRESSURE: 1471400 -289.791 -8.23741 -207.671 50.2268 -221.167 189.21 -179.675 142.592 168.169 PRESSAVG: 1471400 57.7777 -7.66565 -36.2004 -7.66566 -78.6986 3.243 -36.2004 3.24289 -13.2105 GPRESSAVG: 1471400 58.9245 -8.77216 -36.7476 -5.77071 -79.3369 1.732 -36.8877 4.96592 -13.7316 TIMING: 1471400 CPU: 4595.95, 0.00312968/step Wall: 4595.95, 0.00312968/step, 3.06761 hours remaining, 234.753906 MB of memory in use. ENERGY: 1471400 3967.2510 20625.8850 14367.0247 248.5519 -203455.8064 2881.0796 0.0000 0.0000 51723.3816 -109642.6326 297.2550 -161366.0142 -109283.6591 298.1867 -144.7101 -114.2633 762031.9150 -11.3771 -11.3813 PRESSURE: 1471600 156.887 -33.9855 -95.1397 -33.9861 -18.2451 56.1236 -95.1396 56.1237 392.065 GPRESSURE: 1471600 151.405 -84.3489 8.33866 -37.11 51.6929 115.161 -27.2694 111.01 404.827 PRESSAVG: 1471600 48.778 -25.3749 -38.7265 -25.3748 -7.32659 13.8453 -38.7265 13.8453 6.21192 GPRESSAVG: 1471600 47.6741 -25.7642 -38.5093 -22.207 -6.26454 14.6721 -39.4006 14.5465 5.9355 TIMING: 1471600 CPU: 4596.58, 0.003138/step Wall: 4596.58, 0.003138/step, 3.07559 hours remaining, 234.753906 MB of memory in use. ENERGY: 1471600 3954.1806 20646.8440 14374.0441 233.9965 -203647.4644 2756.2850 0.0000 0.0000 51871.0006 -109811.1136 298.1034 -161682.1141 -109451.4745 298.4258 176.9025 202.6418 762495.7809 15.8878 15.7817 PRESSURE: 1471800 -278.989 -24.5251 9.68544 -24.5245 56.2416 156.237 9.68582 156.239 167.443 GPRESSURE: 1471800 -226.989 -38.6129 4.05986 -5.0345 64.4596 77.4045 86.6572 116.491 179.881 PRESSAVG: 1471800 38.9145 -74.6133 2.71363 -74.6133 -43.11 8.1181 2.71362 8.11806 1.88389 GPRESSAVG: 1471800 38.6267 -74.1258 2.43825 -78.1018 -43.9342 8.8576 3.42123 6.78069 2.34158 TIMING: 1471800 CPU: 4597.21, 0.00313637/step Wall: 4597.21, 0.00313637/step, 3.07381 hours remaining, 234.753906 MB of memory in use. ENERGY: 1471800 3973.2825 20492.4136 14453.3785 259.6285 -203808.1432 2924.0726 0.0000 0.0000 51693.3461 -110012.0214 297.0824 -161705.3675 -109650.2503 297.7860 -18.4348 5.7838 762345.3807 -0.7705 -0.9886 PRESSURE: 1472000 74.2062 -51.8999 115.336 -51.8996 70.7039 77.4094 115.335 77.409 21.9602 GPRESSURE: 1472000 111.591 25.3732 81.2318 -31.8778 129.821 109.736 81.0473 -81.9399 22.3967 PRESSAVG: 1472000 29.6125 -57.8126 -14.3483 -57.8127 -52.3009 3.84086 -14.3483 3.84088 3.88197 GPRESSAVG: 1472000 30.5754 -57.6346 -11.3258 -57.2267 -53.5929 1.74096 -16.6753 2.56938 3.68631 TIMING: 1472000 CPU: 4597.83, 0.00311438/step Wall: 4597.83, 0.00311438/step, 3.05209 hours remaining, 234.753906 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: 1472000 4061.9891 20671.2887 14349.1889 235.7847 -203625.4349 2796.4122 0.0000 0.0000 51578.5865 -109932.1847 296.4228 -161510.7713 -109583.0287 297.7078 55.6235 87.9362 761555.6526 -6.2688 -6.4437 PRESSURE: 1472200 180.512 -108.985 107.219 -108.986 120.075 -140.379 107.219 -140.379 -45.0108 GPRESSURE: 1472200 164.294 -140.238 204.042 -8.71863 252.993 -55.0223 103.369 -75.6356 -68.0831 PRESSAVG: 1472200 48.5818 -35.6953 29.823 -35.6953 -77.7232 2.92813 29.823 2.92805 -13.2275 GPRESSAVG: 1472200 46.1639 -37.5482 27.2859 -35.0061 -75.4705 4.17081 31.8494 5.57201 -13.3516 TIMING: 1472200 CPU: 4598.45, 0.00311021/step Wall: 4598.45, 0.00311021/step, 3.04784 hours remaining, 234.753906 MB of memory in use. ENERGY: 1472200 4050.5280 20382.6802 14354.7254 258.2900 -203561.5264 2679.7095 0.0000 0.0000 52127.0444 -109708.5489 299.5748 -161835.5933 -109341.4136 298.0865 85.1917 116.4014 761915.1922 -14.1230 -14.2194 LDB: ============= START OF LOAD BALANCING ============== 4610.93 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4610.93 LDB: =============== DONE WITH MIGRATION ================ 4610.93 LDB: ============= START OF LOAD BALANCING ============== 4611.25 LDB: Largest compute 7062 load 0.028546 is 14.6% of average load 0.195016 LDB: Average compute 0.004380 is 2.2% of average load 0.195016 LDB: TIME 4611.25 LOAD: AVG 0.195016 MAX 0.212492 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.656 MB LDB: TIME 4611.25 LOAD: AVG 0.195016 MAX 0.212492 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.656 MB LDB: TIME 4611.25 LOAD: AVG 0.195016 MAX 0.212492 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.656 MB LDB: ============== END OF LOAD BALANCING =============== 4611.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4611.26 PRESSURE: 1472400 -74.0771 -53.0773 -159.186 -53.0774 108.352 -59.2226 -159.187 -59.2219 -145.384 GPRESSURE: 1472400 -23.9794 39.746 -160.842 -93.4991 42.7849 -56.5784 -123.479 -35.6809 -43.0379 PRESSAVG: 1472400 23.3299 -26.5567 23.3319 -26.5567 -23.4545 -35.0676 23.332 -35.0676 11.332 GPRESSAVG: 1472400 24.7148 -25.5891 24.8922 -27.2768 -24.9033 -36.8694 22.8362 -34.1296 11.2544 TIMING: 1472400 CPU: 4599.09, 0.00319365/step Wall: 4599.09, 0.00319365/step, 3.12942 hours remaining, 234.167969 MB of memory in use. ENERGY: 1472400 3924.8580 20481.7616 14452.6873 254.0486 -203812.9195 2998.5739 0.0000 0.0000 52134.8747 -109566.1155 299.6198 -161700.9902 -109203.3958 298.2415 -37.0364 -8.0775 760775.5192 3.7358 3.6886 PRESSURE: 1472600 92.787 -250.796 -7.76855 -250.795 -27.1544 20.5415 -7.76873 20.542 231.577 GPRESSURE: 1472600 129.653 -220.995 31.663 -224.456 -4.65001 9.08223 16.6634 -7.70847 256.02 PRESSAVG: 1472600 12.5223 -17.6174 40.2498 -17.6174 24.6086 14.6496 40.2498 14.6496 43.107 GPRESSAVG: 1472600 12.3653 -17.9634 39.9663 -16.4541 23.6622 16.0701 40.4173 11.9816 44.0118 TIMING: 1472600 CPU: 4599.72, 0.00313376/step Wall: 4599.72, 0.00313376/step, 3.07056 hours remaining, 234.167969 MB of memory in use. ENERGY: 1472600 4038.4623 20570.8249 14384.8250 228.2504 -203660.9385 2901.5982 0.0000 0.0000 51893.4726 -109643.5051 298.2325 -161536.9778 -109279.8640 298.3684 99.0700 127.0078 760910.9346 26.7460 26.6798 PRESSURE: 1472800 -284.486 -13.1272 97.8095 -13.1273 -62.5087 120.047 97.8102 120.048 -61.4558 GPRESSURE: 1472800 -261.18 -43.8356 163.025 85.4406 -36.4431 204.721 131.997 126.899 -16.403 PRESSAVG: 1472800 24.5489 -28.8704 29.6349 -28.8704 8.17323 20.1908 29.6349 20.1907 -12.3211 GPRESSAVG: 1472800 23.5977 -28.9031 28.5516 -28.4142 8.92004 21.955 29.9925 20.2135 -12.1953 TIMING: 1472800 CPU: 4600.34, 0.00313313/step Wall: 4600.34, 0.00313312/step, 3.06977 hours remaining, 234.167969 MB of memory in use. ENERGY: 1472800 3996.6522 20578.4557 14425.9970 237.2546 -203548.5614 2623.6807 0.0000 0.0000 51976.4096 -109710.1115 298.7091 -161686.5211 -109349.4283 298.4994 -136.1500 -104.6753 761562.0278 6.8003 6.7742 PRESSURE: 1473000 23.3815 -42.8336 164.263 -42.8343 28.2973 84.7055 164.264 84.7054 -127.243 GPRESSURE: 1473000 99.1656 -47.4391 242.63 -106.162 57.7375 20.9638 136.235 95.2541 -141.594 PRESSAVG: 1473000 7.06264 -39.4586 57.7571 -39.4585 -14.2948 -14.3968 57.7571 -14.3968 3.14599 GPRESSAVG: 1473000 6.97044 -39.5811 58.3172 -38.7735 -13.9049 -15.146 56.8813 -15.4432 3.11912 TIMING: 1473000 CPU: 4600.97, 0.0031238/step Wall: 4600.97, 0.0031238/step, 3.06045 hours remaining, 234.167969 MB of memory in use. ENERGY: 1473000 3987.6142 20566.9379 14418.3990 243.1829 -203749.0981 3032.8442 0.0000 0.0000 51785.1383 -109714.9816 297.6099 -161500.1199 -109366.1000 298.3847 -25.1880 5.1030 761949.5950 -1.3620 -1.2718 PRESSURE: 1473200 -382.104 -83.067 -4.767 -83.0664 252.416 -104.71 -4.76726 -104.709 -136.59 GPRESSURE: 1473200 -358.065 -115.114 24.1188 -184.408 295.707 -158.118 -90.5248 -145.693 -104.806 PRESSAVG: 1473200 35.5294 -9.68755 -31.4925 -9.68759 -7.43467 33.5284 -31.4925 33.5284 -4.65606 GPRESSAVG: 1473200 36.1829 -10.6526 -29.4332 -10.4952 -7.90723 33.6668 -30.8999 33.1718 -4.82029 TIMING: 1473200 CPU: 4601.59, 0.00311989/step Wall: 4601.59, 0.00311989/step, 3.05645 hours remaining, 234.167969 MB of memory in use. ENERGY: 1473200 3972.5529 20591.5501 14344.7383 236.0054 -203789.2187 2858.1215 0.0000 0.0000 52041.6278 -109744.6224 299.0840 -161786.2503 -109379.5477 298.2393 -88.7592 -55.7214 762858.6610 7.8129 7.8185 PRESSURE: 1473400 295.492 38.0107 -85.015 38.0102 331.269 -35.0425 -85.0157 -35.0423 214.585 GPRESSURE: 1473400 318.902 -10.4681 -142.348 56.8157 316.319 -24.8185 43.1476 -111.333 312.673 PRESSAVG: 1473400 20.3511 32.875 -20.152 32.8749 -39.3876 16.1913 -20.152 16.1912 -13.4114 GPRESSAVG: 1473400 19.97 34.0814 -21.8917 31.2795 -38.0071 14.805 -19.5728 18.5553 -14.557 TIMING: 1473400 CPU: 4602.22, 0.00312048/step Wall: 4602.22, 0.00312048/step, 3.05685 hours remaining, 234.167969 MB of memory in use. ENERGY: 1473400 3959.9655 20682.8432 14407.1442 239.1048 -204110.4441 3239.9564 0.0000 0.0000 51918.2765 -109663.1535 298.3750 -161581.4300 -109301.3759 298.4904 280.4486 315.9648 763762.1673 -10.8159 -10.8647 PRESSURE: 1473600 152.47 -24.2915 101.755 -24.2912 -277.24 40.1751 101.756 40.1752 -147.978 GPRESSURE: 1473600 150.008 102.322 111.428 -67.9923 -277.443 14.5116 138.771 46.6591 -77.7977 PRESSAVG: 1473600 60.7029 30.771 13.7086 30.771 -59.7839 26.0347 13.7086 26.0347 -6.85724 GPRESSAVG: 1473600 60.1108 31.2833 13.9684 30.4626 -60.7094 26.9249 14.0729 23.7981 -5.63393 TIMING: 1473600 CPU: 4602.84, 0.00312257/step Wall: 4602.84, 0.00312257/step, 3.05873 hours remaining, 234.167969 MB of memory in use. ENERGY: 1473600 3979.5134 20571.0754 14471.3170 248.7961 -203577.7514 2600.2665 0.0000 0.0000 51890.0895 -109816.6935 298.2131 -161706.7830 -109449.8678 298.4766 -90.9160 -68.4107 761994.6550 -1.9794 -2.0775 PRESSURE: 1473800 -47.6489 114.988 164.894 114.988 124.113 -133.534 164.894 -133.534 69.0564 GPRESSURE: 1473800 18.6481 27.9432 157.378 62.7642 211.309 -126.591 178.678 -137.102 1.16307 PRESSAVG: 1473800 97.7815 -21.5651 5.27788 -21.5651 -68.7893 8.6689 5.27791 8.66893 7.27066 GPRESSAVG: 1473800 98.1313 -23.5833 3.76601 -20.7277 -68.219 8.09573 5.03887 9.33777 6.82383 TIMING: 1473800 CPU: 4603.47, 0.00312543/step Wall: 4603.47, 0.00312543/step, 3.06136 hours remaining, 234.167969 MB of memory in use. ENERGY: 1473800 4003.8110 20646.3484 14420.3567 236.8123 -203975.6656 3005.4912 0.0000 0.0000 51971.6804 -109691.1656 298.6820 -161662.8461 -109332.5699 298.1064 48.5069 77.0400 762645.8015 12.0876 12.2453 PRESSURE: 1474000 234.836 -32.5247 -27.4235 -32.526 -261.238 -74.7371 -27.4235 -74.7366 -147.852 GPRESSURE: 1474000 240.167 -17.2285 21.3638 49.4292 -142.556 -175.653 -10.8211 -93.4375 -178.05 PRESSAVG: 1474000 46.4544 -1.16274 11.6151 -1.1628 -55.1156 26.3629 11.6151 26.3631 35.2355 GPRESSAVG: 1474000 46.4241 1.28901 13.6904 -1.92071 -55.3362 27.0292 9.76917 27.3717 35.5391 TIMING: 1474000 CPU: 4604.09, 0.0031249/step Wall: 4604.09, 0.0031249/step, 3.06067 hours remaining, 234.167969 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: 1474000 4036.1385 20426.2001 14423.4439 239.7082 -204148.1691 2931.9426 0.0000 0.0000 52235.2582 -109855.4776 300.1967 -162090.7358 -109490.8901 298.1746 -58.0849 -26.8127 763547.3028 8.8581 8.8757 PRESSURE: 1474200 -296.412 28.0745 230.864 28.074 -144.67 -3.1977 230.864 -3.19822 -188.045 GPRESSURE: 1474200 -258.499 14.1767 270.156 198.456 -134.424 -8.08178 256.704 81.9123 -141.656 PRESSAVG: 1474200 34.0948 34.4763 27.5652 34.4763 -14.8801 18.881 27.5651 18.881 -10.3738 GPRESSAVG: 1474200 33.7449 34.8935 26.1814 35.3748 -13.845 18.0581 29.266 18.7263 -11.0973 TIMING: 1474200 CPU: 4604.72, 0.00311911/step Wall: 4604.72, 0.00311911/step, 3.05482 hours remaining, 234.167969 MB of memory in use. ENERGY: 1474200 4040.4852 20626.5381 14432.0147 252.0348 -203418.9854 2617.3306 0.0000 0.0000 51782.3022 -109668.2797 297.5936 -161450.5819 -109326.5168 299.0452 -209.7090 -178.1932 764177.8314 2.9470 2.9342 PRESSURE: 1474400 -152.431 -52.974 85.5205 -52.9741 -343.151 -36.4623 85.5208 -36.4609 -155.191 GPRESSURE: 1474400 -159.371 -5.45348 139.585 -56.045 -248.012 16.2822 62.5934 -49.2267 -180.643 PRESSAVG: 1474400 50.6173 7.59921 -11.3481 7.59923 -32.675 33.582 -11.3481 33.5821 9.70632 GPRESSAVG: 1474400 50.3639 7.02543 -9.93619 8.86498 -32.5655 35.4221 -10.125 33.4516 9.81089 TIMING: 1474400 CPU: 4605.34, 0.00310872/step Wall: 4605.34, 0.00310872/step, 3.04447 hours remaining, 234.167969 MB of memory in use. ENERGY: 1474400 4049.3564 20507.1902 14342.1558 243.7108 -203433.8177 2700.4815 0.0000 0.0000 52076.4735 -109514.4493 299.2842 -161590.9229 -109146.6189 298.6629 -216.9242 -196.0085 762765.5898 9.2162 9.2031 PRESSURE: 1474600 226.085 5.71628 114.566 5.71664 34.1576 19.0783 114.567 19.0786 358.348 GPRESSURE: 1474600 262.047 40.1669 40.371 47.2663 86.801 75.0935 132.094 111.01 347.957 PRESSAVG: 1474600 14.021 4.3299 21.0851 4.32994 -6.99799 13.8552 21.0851 13.8551 6.16256 GPRESSAVG: 1474600 14.5758 4.89664 20.783 3.31914 -8.79599 12.9231 21.1543 13.0791 6.60185 TIMING: 1474600 CPU: 4605.96, 0.00312418/step Wall: 4605.96, 0.00312418/step, 3.05944 hours remaining, 234.167969 MB of memory in use. ENERGY: 1474600 3914.1574 20463.1745 14400.6955 237.1498 -203504.3701 2847.3583 0.0000 0.0000 51992.4268 -109649.4077 298.8012 -161641.8345 -109287.8378 298.5468 206.1971 232.2684 760885.9370 4.3952 4.1272 PRESSURE: 1474800 -28.601 9.85725 197.963 9.85712 -245.66 47.0012 197.963 47.0019 -340.545 GPRESSURE: 1474800 18.043 -15.1656 225.737 -36.3722 -246.606 9.07435 209.939 -71.2658 -286.746 PRESSAVG: 1474800 43.0547 -6.20488 29.885 -6.20481 -23.7066 36.227 29.885 36.227 9.38204 GPRESSAVG: 1474800 42.8426 -7.44297 30.6373 -4.75403 -23.7533 36.3499 27.4348 36.3265 9.52398 TIMING: 1474800 CPU: 4606.59, 0.00314218/step Wall: 4606.59, 0.00314218/step, 3.07689 hours remaining, 234.167969 MB of memory in use. ENERGY: 1474800 3987.9153 20435.2485 14413.9751 240.5107 -203547.4987 2646.9107 0.0000 0.0000 51936.9389 -109885.9996 298.4823 -161822.9385 -109522.7692 298.2347 -204.9353 -171.7697 761953.4768 9.5767 9.5378 PRESSURE: 1475000 -11.0471 -29.4911 2.89274 -29.4902 -72.1499 177.592 2.89152 177.592 208.557 GPRESSURE: 1475000 23.9633 2.88936 -13.6288 21.6264 -77.3317 137.408 5.53371 174.249 246.124 PRESSAVG: 1475000 60.3807 -21.0235 14.487 -21.0235 -69.4157 25.5623 14.487 25.5623 4.96125 GPRESSAVG: 1475000 60.9134 -22.0924 13.7473 -21.1252 -70.3852 25.9968 14.4077 24.2921 5.41183 TIMING: 1475000 CPU: 4607.22, 0.00312098/step Wall: 4607.22, 0.00312098/step, 3.05596 hours remaining, 234.167969 MB of memory in use. ENERGY: 1475000 4069.5482 20450.7029 14377.4797 267.1807 -203811.4798 3097.7148 0.0000 0.0000 51923.7967 -109625.0568 298.4068 -161548.8535 -109266.7203 298.2482 41.7866 64.2519 761944.0254 -1.3579 -1.3533 PRESSURE: 1475200 -298.944 -67.7045 129.649 -67.7041 -142.806 101.09 129.649 101.091 -362.249 GPRESSURE: 1475200 -190.218 -95.4848 183.917 88.0161 -163.462 70.2758 208.933 190.845 -362.829 PRESSAVG: 1475200 38.4131 5.53508 -1.63158 5.53511 -17.4023 -21.4129 -1.63158 -21.413 -8.58956 GPRESSAVG: 1475200 37.2441 5.33073 -1.86444 6.1992 -16.2875 -22.1805 -0.968759 -19.122 -8.79105 TIMING: 1475200 CPU: 4607.84, 0.00311209/step Wall: 4607.84, 0.00311209/step, 3.04708 hours remaining, 234.167969 MB of memory in use. ENERGY: 1475200 3925.2977 20403.3839 14396.6758 233.1565 -203717.5234 2685.7657 0.0000 0.0000 52127.2211 -109946.0227 299.5759 -162073.2437 -109573.1958 298.3511 -267.9999 -238.8363 760980.4313 4.1404 4.0552 PRESSURE: 1475400 205.133 -315.925 -172.679 -315.926 72.2674 -113.273 -172.68 -113.273 180.63 GPRESSURE: 1475400 244.065 -355.706 -196.998 -183.273 140.789 -126.012 -215.217 -60.0812 168.133 PRESSAVG: 1475400 40.5186 -4.13944 54.7106 -4.13937 -48.0893 20.7561 54.7106 20.7561 0.492593 GPRESSAVG: 1475400 41.2393 -5.52924 54.3504 -4.29545 -48.1681 20.4804 53.6193 19.8872 -0.735521 TIMING: 1475400 CPU: 4608.46, 0.00312813/step Wall: 4608.46, 0.00312813/step, 3.06262 hours remaining, 234.167969 MB of memory in use. ENERGY: 1475400 3995.2427 20518.4411 14300.1193 241.1738 -204025.4549 2983.7878 0.0000 0.0000 52029.9841 -109956.7060 299.0170 -161986.6902 -109589.5165 298.2594 152.6766 184.3288 760477.0661 -2.3594 -2.5548 PRESSURE: 1475600 397.125 108.257 -112.659 108.257 22.2378 84.5063 -112.659 84.5048 97.8197 GPRESSURE: 1475600 411.218 174.163 -57.8765 60.6474 200.446 122.835 2.09296 -37.6786 -20.6176 PRESSAVG: 1475600 92.6174 29.0169 40.0666 29.0169 -92.7862 -41.2599 40.0665 -41.2599 0.180591 GPRESSAVG: 1475600 92.2055 30.811 40.2188 26.446 -92.2797 -41.4216 39.5585 -40.1649 0.202623 TIMING: 1475600 CPU: 4609.09, 0.00312161/step Wall: 4609.09, 0.00312161/step, 3.05606 hours remaining, 234.167969 MB of memory in use. ENERGY: 1475600 3947.9911 20367.5272 14324.9781 251.2995 -203645.1409 2638.1488 0.0000 0.0000 52144.2792 -109970.9169 299.6739 -162115.1961 -109601.7729 298.0893 172.3940 197.0155 760351.6526 0.0040 0.0428 PRESSURE: 1475800 -180.459 -235.967 -20.5883 -235.967 -71.3023 153.954 -20.5886 153.953 -329.644 GPRESSURE: 1475800 -159.081 -171.967 -28.0293 -49.7806 -85.6226 109.031 70.7625 212.685 -255.542 PRESSAVG: 1475800 41.3984 -13.4799 44.0455 -13.4799 -33.4224 -12.3113 44.0455 -12.3113 26.4954 GPRESSAVG: 1475800 41.6865 -11.2529 44.4604 -12.1453 -34.7356 -12.0819 45.2109 -13.6106 27.2809 TIMING: 1475800 CPU: 4609.71, 0.00312901/step Wall: 4609.71, 0.00312901/step, 3.06313 hours remaining, 234.167969 MB of memory in use. ENERGY: 1475800 4006.9067 20675.8378 14404.3443 260.0600 -203302.8990 2707.3271 0.0000 0.0000 51704.3070 -109544.1161 297.1454 -161248.4230 -109193.4100 298.2579 -193.8018 -166.7484 760457.8754 11.4905 11.4106 PRESSURE: 1476000 -34.6538 -125.978 115.789 -125.979 -15.6933 -83.2815 115.789 -83.2818 378.326 GPRESSURE: 1476000 4.42213 -28.733 112.523 -69.3463 -31.7009 -119.329 90.2955 -51.9143 422.26 PRESSAVG: 1476000 28.2636 17.5284 6.85594 17.5284 -9.28652 18.9396 6.85587 18.9396 3.11039 GPRESSAVG: 1476000 28.7451 15.8569 7.50515 16.6366 -9.013 18.2077 7.5638 19.5103 2.19805 TIMING: 1476000 CPU: 4610.34, 0.0031213/step Wall: 4610.34, 0.0031213/step, 3.05541 hours remaining, 234.167969 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: 1476000 3901.5093 20611.6138 14370.4755 242.6929 -203044.5546 2507.9981 0.0000 0.0000 51768.7321 -109641.5329 297.5156 -161410.2650 -109288.9873 298.5789 109.3262 131.6604 761386.2825 7.3625 7.3101 PRESSURE: 1476200 111.161 -32.0796 -24.3734 -32.0792 -63.7737 34.5362 -24.3739 34.5372 -120.663 GPRESSURE: 1476200 157.045 117.215 -31.2831 -69.2662 -41.1963 34.6326 35.4849 93.7432 -107.499 PRESSAVG: 1476200 57.9468 -20.7244 35.689 -20.7244 -48.0351 14.1149 35.689 14.1149 24.8236 GPRESSAVG: 1476200 57.1566 -21.7747 35.0509 -20.7534 -48.9599 13.861 36.1662 14.6833 27.2069 TIMING: 1476200 CPU: 4610.96, 0.0031247/step Wall: 4610.96, 0.0031247/step, 3.05856 hours remaining, 234.167969 MB of memory in use. ENERGY: 1476200 4022.3381 20480.3534 14477.0104 247.1043 -203731.3972 3075.3938 0.0000 0.0000 52025.4204 -109403.7767 298.9908 -161429.1972 -109043.1675 298.3844 -24.4253 2.7833 761901.3825 11.5785 11.8012 LDB: ============= START OF LOAD BALANCING ============== 4623.44 LDB: ============== END OF LOAD BALANCING =============== 4623.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4623.44 LDB: ============= START OF LOAD BALANCING ============== 4623.76 LDB: Largest compute 7052 load 0.029447 is 15.1% of average load 0.194983 LDB: Average compute 0.004390 is 2.3% of average load 0.194983 LDB: TIME 4623.76 LOAD: AVG 0.194983 MAX 0.213326 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.168 MB LDB: TIME 4623.76 LOAD: AVG 0.194983 MAX 0.213326 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.168 MB LDB: TIME 4623.76 LOAD: AVG 0.194983 MAX 0.213326 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.168 MB LDB: ============== END OF LOAD BALANCING =============== 4623.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4623.77 PRESSURE: 1476400 -24.7336 -249.58 -158.07 -249.58 132.912 194.43 -158.069 194.43 -392.802 GPRESSURE: 1476400 3.82645 -288.315 -133.725 -357.118 146.574 373.612 -176.522 166.377 -341.287 PRESSAVG: 1476400 16.2738 -9.7736 -33.4418 -9.77363 -22.6541 8.93036 -33.4418 8.93035 -6.78641 GPRESSAVG: 1476400 16.7703 -9.6594 -32.7281 -9.60305 -21.8302 8.84837 -34.8075 9.49519 -7.52081 TIMING: 1476400 CPU: 4611.6, 0.00319499/step Wall: 4611.6, 0.00319499/step, 3.12719 hours remaining, 234.937500 MB of memory in use. ENERGY: 1476400 3978.8862 20486.0344 14407.2146 244.8071 -203055.8371 2617.4373 0.0000 0.0000 51965.5505 -109355.9071 298.6467 -161321.4576 -108992.3130 298.6296 -94.8744 -63.6286 764112.3710 -4.3889 -4.1936 PRESSURE: 1476600 182.088 44.3786 -21.6705 44.3784 -22.36 171.842 -21.671 171.842 -62.3982 GPRESSURE: 1476600 213.855 -60.2289 -93.1237 91.5608 -28.9212 134.847 -22.1951 147.809 -17.775 PRESSAVG: 1476600 24.0721 8.04699 1.20052 8.047 9.59181 -49.1358 1.2005 -49.1357 -1.14255 GPRESSAVG: 1476600 23.7761 8.41255 -0.684057 7.2556 9.40524 -46.7767 1.03428 -50.2808 -0.777996 TIMING: 1476600 CPU: 4612.23, 0.00315447/step Wall: 4612.23, 0.00315447/step, 3.08735 hours remaining, 234.937500 MB of memory in use. ENERGY: 1476600 3956.7369 20552.5000 14384.8242 247.7598 -203270.4972 2648.2373 0.0000 0.0000 52007.1522 -109473.2869 298.8858 -161480.4391 -109120.6688 298.5227 32.4432 55.7197 760714.5736 10.8405 10.8011 PRESSURE: 1476800 -57.7369 59.1193 -45.1818 59.12 -24.8301 274.627 -45.1813 274.627 -107.721 GPRESSURE: 1476800 -0.641937 11.6289 -13.7975 88.4169 -15.7654 155.294 -119.089 262.789 -80.7644 PRESSAVG: 1476800 -13.0429 -21.4942 0.699624 -21.4942 7.60739 0.456299 0.699693 0.456333 7.45534 GPRESSAVG: 1476800 -13.2185 -20.7543 1.04011 -21.9869 8.46626 -1.31041 2.38318 -0.0150933 6.77175 TIMING: 1476800 CPU: 4612.86, 0.0031514/step Wall: 4612.86, 0.0031514/step, 3.08417 hours remaining, 234.937500 MB of memory in use. ENERGY: 1476800 4041.8908 20565.8998 14324.7735 242.0922 -203222.3267 2804.6219 0.0000 0.0000 51864.3228 -109378.7257 298.0650 -161243.0485 -109023.5460 298.9341 -63.4294 -32.3906 762316.6123 0.6733 0.6732 PRESSURE: 1477000 130.592 -153.773 -62.2297 -153.773 248.99 -449.141 -62.229 -449.141 73.564 GPRESSURE: 1477000 226.225 -116.398 7.05708 -177.713 172.737 -360.904 -136.269 -322.945 149.869 PRESSAVG: 1477000 -0.711845 -25.9014 20.7247 -25.9014 -2.29255 22.6243 20.7247 22.6242 38.1691 GPRESSAVG: 1477000 -0.104089 -26.4152 21.9702 -25.6005 -3.41549 23.8119 19.6224 22.3668 38.999 TIMING: 1477000 CPU: 4613.49, 0.00315018/step Wall: 4613.49, 0.00315018/step, 3.0828 hours remaining, 234.937500 MB of memory in use. ENERGY: 1477000 4081.0871 20478.6608 14387.2435 240.1710 -203208.3412 2758.7642 0.0000 0.0000 51924.4150 -109337.9996 298.4103 -161262.4146 -108984.8991 298.6722 151.0488 182.9435 761847.8476 11.7216 11.8265 PRESSURE: 1477200 66.6324 -149.028 -216.158 -149.027 -233.946 -27.1451 -216.159 -27.1447 258.67 GPRESSURE: 1477200 -7.09751 -120.933 -200.104 -133.622 -96.3086 31.5561 -124.785 -71.2215 283.879 PRESSAVG: 1477200 29.1509 -68.1688 -17.8355 -68.1689 0.589915 26.6778 -17.8356 26.6778 5.62732 GPRESSAVG: 1477200 28.8345 -67.7062 -19.6387 -66.5152 1.60676 25.4344 -18.0883 26.7765 4.46916 TIMING: 1477200 CPU: 4614.12, 0.00314183/step Wall: 4614.12, 0.00314183/step, 3.07446 hours remaining, 234.937500 MB of memory in use. ENERGY: 1477200 3984.9062 20555.5287 14385.1498 241.7267 -203161.5765 2689.3433 0.0000 0.0000 51830.9666 -109473.9552 297.8733 -161304.9218 -109120.7430 298.3484 30.4520 60.1578 764086.3454 11.7894 11.6368 PRESSURE: 1477400 396.634 199.549 -201.696 199.549 131.618 12.7438 -201.695 12.7447 37.479 GPRESSURE: 1477400 406.189 132.161 -225.183 168.678 195.697 1.7352 -63.3995 -74.5373 51.3535 PRESSAVG: 1477400 45.8744 -49.2078 -51.0324 -49.2079 -24.0374 67.8068 -51.0323 67.8069 5.9636 GPRESSAVG: 1477400 45.9878 -51.4167 -50.3431 -51.5373 -24.5114 67.9069 -48.721 67.4774 6.69967 TIMING: 1477400 CPU: 4614.75, 0.0031316/step Wall: 4614.75, 0.0031316/step, 3.06427 hours remaining, 234.937500 MB of memory in use. ENERGY: 1477400 4002.4910 20309.6960 14390.9602 263.0083 -203739.5455 3148.0532 0.0000 0.0000 52120.9104 -109504.4265 299.5396 -161625.3368 -109131.8241 298.2737 188.5769 217.7466 761976.5168 9.2669 9.3920 PRESSURE: 1477600 70.5686 70.6094 131.911 70.6082 -289.055 289.116 131.911 289.116 138.661 GPRESSURE: 1477600 58.7049 41.2325 29.0118 6.5283 -209.085 303.069 287.535 259.214 158.233 PRESSAVG: 1477600 0.673726 3.74542 -0.705978 3.7454 -14.07 -4.02358 -0.705977 -4.02353 16.8043 GPRESSAVG: 1477600 0.494617 5.38571 -0.385897 1.50773 -14.4695 -4.31649 -1.64591 -4.27693 17.67 TIMING: 1477600 CPU: 4615.38, 0.00314746/step Wall: 4615.38, 0.00314746/step, 3.07962 hours remaining, 234.937500 MB of memory in use. ENERGY: 1477600 3953.9961 20472.5702 14376.8611 245.6177 -203131.0673 2755.9153 0.0000 0.0000 51986.8047 -109339.3023 298.7689 -161326.1070 -108971.9802 298.1025 -26.6085 2.6174 763644.3261 1.1360 1.2317 PRESSURE: 1477800 7.05921 4.3309 242.813 4.33203 -3.19331 149.108 242.812 149.108 -178.191 GPRESSURE: 1477800 47.4018 -20.3254 234.987 -27.1605 -35.8894 137.378 221.062 62.0517 -121.847 PRESSAVG: 1477800 14.8583 -41.7861 27.5937 -41.7862 36.2717 31.1231 27.5937 31.1231 -1.39292 GPRESSAVG: 1477800 14.1065 -42.8146 25.3177 -37.2368 36.6948 32.3003 27.9152 29.5271 -1.14378 TIMING: 1477800 CPU: 4616, 0.00312517/step Wall: 4616, 0.00312517/step, 3.05763 hours remaining, 234.937500 MB of memory in use. ENERGY: 1477800 3911.0511 20491.8609 14414.7359 234.7044 -203072.7616 2587.4126 0.0000 0.0000 51954.9433 -109478.0532 298.5858 -161432.9966 -109111.2409 298.4139 -58.1084 -36.7781 763831.6334 16.5790 16.5525 PRESSURE: 1478000 186.533 164.648 -163.261 164.648 -229.677 -66.0361 -163.26 -66.0363 24.2354 GPRESSURE: 1478000 240.429 102.958 -76.8988 217.33 -139.112 -77.3862 -226.247 66.8338 -25.0237 PRESSAVG: 1478000 80.2475 -12.0046 41.804 -12.0046 -19.1881 24.4976 41.8041 24.4976 3.59442 GPRESSAVG: 1478000 80.8622 -12.0381 44.7541 -13.855 -18.9296 24.1156 40.4568 25.8253 3.02479 TIMING: 1478000 CPU: 4616.63, 0.00313504/step Wall: 4616.63, 0.00313504/step, 3.06712 hours remaining, 234.937500 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: 1478000 3982.4325 20439.6921 14376.3783 265.0087 -203265.2937 2656.0386 0.0000 0.0000 52142.0081 -109403.7353 299.6608 -161545.7435 -109047.0243 298.6869 -6.3029 25.4312 762562.2593 21.5513 21.6524 PRESSURE: 1478200 -148.203 -99.1673 -20.5058 -99.1675 -36.6378 -40.3855 -20.5059 -40.3864 -218.3 GPRESSURE: 1478200 -165.493 45.8209 35.8687 -175.806 -0.764657 -50.9586 -85.8986 67.3233 -134.588 PRESSAVG: 1478200 78.6402 -17.0417 8.05906 -17.0416 -52.5736 24.7298 8.05909 24.7298 11.0271 GPRESSAVG: 1478200 79.0122 -18.5553 9.01874 -14.0095 -53.4272 24.4195 6.82091 25.3105 10.9146 TIMING: 1478200 CPU: 4617.26, 0.00314349/step Wall: 4617.26, 0.00314349/step, 3.07521 hours remaining, 234.937500 MB of memory in use. ENERGY: 1478200 3981.2889 20347.9594 14491.2269 250.0987 -203114.9026 2789.8231 0.0000 0.0000 52062.3601 -109192.1455 299.2031 -161254.5056 -108833.1289 298.7884 -134.3800 -100.2818 762375.5972 12.3646 12.1665 PRESSURE: 1478400 -172.746 21.4267 152.477 21.4269 -54.1774 -59.8825 152.476 -59.8811 477.206 GPRESSURE: 1478400 -148.684 31.1521 174.47 -2.53684 -38.2973 -52.8754 162.978 19.2988 522.058 PRESSAVG: 1478400 -4.68399 -32.2182 23.3947 -32.2182 7.77919 11.6929 23.3946 11.6929 -22.9387 GPRESSAVG: 1478400 -5.03371 -29.7858 20.862 -33.9438 8.78372 10.7693 23.7945 11.4459 -23.8471 TIMING: 1478400 CPU: 4617.89, 0.003139/step Wall: 4617.89, 0.003139/step, 3.07064 hours remaining, 234.937500 MB of memory in use. ENERGY: 1478400 3950.2039 20599.4523 14354.7975 241.5970 -202870.9254 2480.2740 0.0000 0.0000 51728.0937 -109516.5070 297.2821 -161244.6007 -109152.8515 298.8836 83.4276 111.6923 762422.7100 -6.6145 -6.6990 PRESSURE: 1478600 78.3225 -119.171 -7.17139 -119.171 160.591 178.226 -7.17203 178.226 470.442 GPRESSURE: 1478600 185.177 -154.065 87.8532 -31.7038 173.939 131.202 -18.7801 207.129 426.812 PRESSAVG: 1478600 -5.44265 -11.1694 -49.8312 -11.1694 9.35484 61.5524 -49.8313 61.5524 -5.89703 GPRESSAVG: 1478600 -5.66094 -11.6864 -50.0166 -9.78788 10.2581 62.1003 -48.8974 61.6745 -6.74448 TIMING: 1478600 CPU: 4618.51, 0.00313423/step Wall: 4618.51, 0.00313423/step, 3.0658 hours remaining, 234.937500 MB of memory in use. ENERGY: 1478600 3868.5437 20693.6486 14364.4138 240.8115 -203812.6250 3072.6506 0.0000 0.0000 51954.3583 -109618.1985 298.5824 -161572.5568 -109245.7115 298.2802 236.4519 261.9762 759535.3283 -0.6616 -0.7158 PRESSURE: 1478800 -125.442 215.412 6.06147 215.412 -267.757 75.5594 6.06131 75.5593 -18.4636 GPRESSURE: 1478800 -14.8339 113.115 56.8287 129.78 -207.956 160.442 75.5198 135.052 -115.021 PRESSAVG: 1478800 26.7381 -20.0821 -60.5814 -20.0821 6.44925 32.4924 -60.5815 32.4924 -3.75226 GPRESSAVG: 1478800 26.5316 -19.3821 -58.2328 -21.9569 5.53914 31.7997 -59.549 32.0775 -3.02232 TIMING: 1478800 CPU: 4619.14, 0.00312222/step Wall: 4619.14, 0.00312222/step, 3.05388 hours remaining, 234.937500 MB of memory in use. ENERGY: 1478800 3952.6470 20802.6232 14402.8346 241.0125 -203413.7804 2678.7362 0.0000 0.0000 52003.3372 -109332.5897 298.8639 -161335.9268 -108981.1623 298.8328 -137.2209 -112.6037 762838.6392 9.8117 9.6828 PRESSURE: 1479000 -330.965 54.1788 -425.24 54.179 -447.544 5.95192 -425.24 5.95305 -69.5402 GPRESSURE: 1479000 -237.664 151.708 -450.071 -51.5365 -492.475 51.8419 -302.513 -64.5649 -42.4633 PRESSAVG: 1479000 -25.0267 -16.5307 -30.7069 -16.5306 1.96928 73.6093 -30.7068 73.6092 -5.29737 GPRESSAVG: 1479000 -24.961 -17.4082 -31.9647 -16.2453 2.01809 75.3051 -33.1611 74.0442 -5.01429 TIMING: 1479000 CPU: 4619.76, 0.00311707/step Wall: 4619.76, 0.00311707/step, 3.04867 hours remaining, 234.937500 MB of memory in use. ENERGY: 1479000 4025.7669 20769.4704 14326.6170 253.9904 -203561.4951 2728.0376 0.0000 0.0000 51972.0228 -109485.5900 298.6839 -161457.6128 -109123.6316 299.3015 -282.6831 -257.5340 761851.3727 -9.4516 -9.3191 PRESSURE: 1479200 -370.036 -31.9393 -199.854 -31.9391 -214.229 268.059 -199.854 268.059 277.151 GPRESSURE: 1479200 -251.93 23.3713 -167.748 -36.6468 -183.409 204.855 -191.322 206.473 210.16 PRESSAVG: 1479200 -12.2925 -1.61991 -96.3519 -1.6199 -0.169932 26.6341 -96.3519 26.6341 4.63655 GPRESSAVG: 1479200 -13.0519 -3.35493 -96.9209 1.96371 0.0715916 25.9504 -95.1585 27.6431 5.08521 TIMING: 1479200 CPU: 4620.39, 0.00313602/step Wall: 4620.39, 0.00313602/step, 3.06702 hours remaining, 234.937500 MB of memory in use. ENERGY: 1479200 3982.0585 20602.6735 14353.3918 247.6549 -203353.3211 2773.9434 0.0000 0.0000 52064.8219 -109328.7772 299.2172 -161393.5991 -108955.3938 298.8516 -102.3712 -75.0596 764195.3365 -2.6086 -2.6317 PRESSURE: 1479400 211.668 173.721 66.7325 173.721 92.6228 -53.0141 66.7326 -53.0142 69.1761 GPRESSURE: 1479400 142.704 166.578 63.0143 101.557 142.237 -92.9056 -28.9806 62.7006 167.989 PRESSAVG: 1479400 36.7037 -9.82166 -88.9496 -9.82165 3.49639 85.5737 -88.9495 85.5738 -9.16177 GPRESSAVG: 1479400 37.6377 -6.69643 -90.1097 -13.7466 3.62369 86.1593 -88.5047 84.7345 -10.3491 TIMING: 1479400 CPU: 4621.02, 0.0031468/step Wall: 4621.02, 0.0031468/step, 3.0774 hours remaining, 234.937500 MB of memory in use. ENERGY: 1479400 4028.0005 20422.6720 14414.3452 243.8647 -203632.9085 2948.9571 0.0000 0.0000 52074.6314 -109500.4377 299.2736 -161575.0691 -109138.8943 298.6943 124.4889 150.9766 762617.8447 10.3461 10.3041 PRESSURE: 1479600 40.5793 -16.4256 -63.6873 -16.4261 -222.307 -181.261 -63.6872 -181.261 311.825 GPRESSURE: 1479600 92.8719 13.1401 -39.7445 14.0332 -221.748 -199.006 49.1424 -110.833 358.138 PRESSAVG: 1479600 -27.4931 -41.0916 -11.4655 -41.0916 -0.272813 30.2573 -11.4656 30.2573 13.0239 GPRESSAVG: 1479600 -27.9735 -40.8545 -10.6336 -40.598 0.251314 28.3736 -11.2375 30.9786 13.4431 TIMING: 1479600 CPU: 4621.64, 0.00313135/step Wall: 4621.64, 0.00313135/step, 3.06211 hours remaining, 234.937500 MB of memory in use. ENERGY: 1479600 3978.5960 20423.8320 14478.6828 245.3096 -203606.7526 2848.0032 0.0000 0.0000 51923.4178 -109708.9112 298.4046 -161632.3290 -109357.0615 298.6642 43.3659 76.4207 762018.3457 -4.9140 -4.7597 PRESSURE: 1479800 -180.517 -199.879 -73.8032 -199.878 -356.179 -59.1508 -73.8031 -59.1512 77.0783 GPRESSURE: 1479800 -157.924 -176.088 -101.619 -287.77 -237.628 -11.1705 -92.8304 -158.866 13.7533 PRESSAVG: 1479800 18.7161 -43.6155 -50.2497 -43.6155 -12.7191 23.7842 -50.2497 23.7842 -1.15603 GPRESSAVG: 1479800 18.769 -42.3631 -49.4397 -44.5903 -13.1563 24.5657 -50.9493 24.3996 -1.11436 TIMING: 1479800 CPU: 4622.27, 0.00314232/step Wall: 4622.27, 0.00314232/step, 3.07267 hours remaining, 234.937500 MB of memory in use. ENERGY: 1479800 3978.2250 20450.7345 14458.2818 231.8434 -203709.7103 2949.0624 0.0000 0.0000 51894.0998 -109747.4633 298.2361 -161641.5631 -109368.3951 298.5565 -153.2059 -127.2661 763077.5795 1.6136 1.4994 PRESSURE: 1480000 -312.139 157.746 101.803 157.748 208.805 -53.2627 101.802 -53.2626 68.8652 GPRESSURE: 1480000 -224.563 98.3263 151.396 69.6996 95.7864 101.076 27.6095 -11.8909 188.885 PRESSAVG: 1480000 -17.3747 -23.8188 32.0046 -23.8187 -14.3173 37.0459 32.0046 37.0458 4.30688 GPRESSAVG: 1480000 -16.8748 -26.1685 29.8259 -22.7654 -14.8544 39.5129 32.1291 34.9313 4.34557 TIMING: 1480000 CPU: 4622.9, 0.00313598/step Wall: 4622.9, 0.00313598/step, 3.06629 hours remaining, 234.937500 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: 1480000 4012.1709 20564.6930 14429.7970 276.1900 -203379.7321 2641.1152 0.0000 0.0000 51740.7390 -109715.0269 297.3547 -161455.7659 -109353.0838 298.1267 -11.4897 20.0359 765042.6615 -9.1284 -9.1279 PRESSURE: 1480200 -341.767 148.536 60.0238 148.535 -212.44 -237.295 60.0221 -237.295 95.9704 GPRESSURE: 1480200 -353.15 202.222 42.1438 139.318 -182.656 -116.336 54.7036 -111.77 156.263 PRESSAVG: 1480200 1.29277 -26.5982 -12.3379 -26.5982 17.2275 26.808 -12.3379 26.8079 -23.6898 GPRESSAVG: 1480200 1.1831 -27.1594 -10.9216 -23.3402 18.5564 25.2781 -11.7624 29.274 -24.4182 TIMING: 1480200 CPU: 4623.53, 0.00315669/step Wall: 4623.53, 0.00315669/step, 3.08636 hours remaining, 234.937500 MB of memory in use. ENERGY: 1480200 3984.0741 20714.2696 14415.5374 247.4353 -203091.2201 2448.6890 0.0000 0.0000 51884.3714 -109396.8432 298.1802 -161281.2146 -109043.1167 298.5091 -152.7457 -126.5145 763964.8607 -1.7232 -1.5595 LDB: ============= START OF LOAD BALANCING ============== 4636.01 LDB: ============== END OF LOAD BALANCING =============== 4636.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4636.01 LDB: ============= START OF LOAD BALANCING ============== 4636.33 LDB: Largest compute 7052 load 0.029342 is 15.0% of average load 0.195007 LDB: Average compute 0.004388 is 2.3% of average load 0.195007 LDB: TIME 4636.33 LOAD: AVG 0.195007 MAX 0.213581 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.742 MB LDB: TIME 4636.33 LOAD: AVG 0.195007 MAX 0.213581 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.742 MB LDB: TIME 4636.33 LOAD: AVG 0.195007 MAX 0.213581 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.742 MB LDB: ============== END OF LOAD BALANCING =============== 4636.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4636.34 PRESSURE: 1480400 106.129 239.556 25.1498 239.556 -142.377 -14.7385 25.1495 -14.7385 98.9546 GPRESSURE: 1480400 17.7275 173.705 -44.1972 108.065 15.0126 -31.5208 128.817 -149.391 121.621 PRESSAVG: 1480400 -22.2292 13.0618 35.5759 13.0619 3.40868 16.9885 35.5759 16.9884 -12.4185 GPRESSAVG: 1480400 -21.5972 11.6638 37.0049 12.0225 1.77381 17.3853 32.5745 17.5496 -11.3599 TIMING: 1480400 CPU: 4624.17, 0.00321874/step Wall: 4624.17, 0.00321874/step, 3.14686 hours remaining, 235.023438 MB of memory in use. ENERGY: 1480400 4011.7462 20608.1696 14363.9051 240.7924 -203464.7651 2959.3680 0.0000 0.0000 51903.3877 -109377.3961 298.2895 -161280.7838 -109026.1274 298.9461 20.9024 51.4536 762690.1190 -10.4130 -10.3944 PRESSURE: 1480600 65.9555 -104.017 -52.8884 -104.017 -16.3895 3.60515 -52.8887 3.60523 189.686 GPRESSURE: 1480600 42.099 83.8702 -102.097 -83.4608 99.4362 7.88673 -88.7954 10.298 168.858 PRESSAVG: 1480600 22.3924 -2.20659 40.7053 -2.20666 -57.3054 23.7025 40.7053 23.7025 22.5103 GPRESSAVG: 1480600 21.4852 0.806009 40.6853 -1.28679 -55.7448 23.6882 41.2995 20.7235 22.4173 TIMING: 1480600 CPU: 4624.8, 0.00313682/step Wall: 4624.8, 0.00313682/step, 3.06659 hours remaining, 235.023438 MB of memory in use. ENERGY: 1480600 3971.7414 20536.9934 14471.0042 252.8026 -203563.7796 2870.0444 0.0000 0.0000 52155.4898 -109305.7038 299.7383 -161461.1936 -108947.1537 299.0566 79.7507 103.4643 763610.9887 -4.1342 -3.9475 PRESSURE: 1480800 -270.118 -149.626 -61.06 -149.625 -229.991 139.961 -61.0591 139.961 590.057 GPRESSURE: 1480800 -184.238 -84.0565 -3.68748 -225.163 -200.75 281.034 1.92108 184.021 544.902 PRESSAVG: 1480800 25.668 -13.0762 -17.8052 -13.0762 -23.5201 25.4725 -17.8052 25.4725 1.70441 GPRESSAVG: 1480800 25.1462 -13.5439 -19.4527 -12.8999 -24.0606 24.6591 -16.841 26.9419 2.53326 TIMING: 1480800 CPU: 4625.43, 0.00312533/step Wall: 4625.43, 0.00312533/step, 3.05519 hours remaining, 235.023438 MB of memory in use. ENERGY: 1480800 4007.7064 20561.8998 14420.1130 258.9009 -203609.3770 2749.8159 0.0000 0.0000 52234.6299 -109376.3111 300.1931 -161610.9410 -109015.8092 299.3805 29.9825 53.3045 762907.1903 1.2841 1.2063 PRESSURE: 1481000 161.47 -14.5279 149.167 -14.5279 -364.669 -52.9968 149.167 -52.9966 -169.94 GPRESSURE: 1481000 226.848 -3.08059 188.63 -74.5585 -301.988 -25.3687 153.025 -106.856 -204.355 PRESSAVG: 1481000 9.84932 17.0762 11.7117 17.0762 -24.4262 27.7907 11.7117 27.7908 -4.99202 GPRESSAVG: 1481000 9.74006 15.9116 12.4424 16.1727 -23.7805 27.677 13.4724 29.2291 -4.85722 TIMING: 1481000 CPU: 4626.05, 0.00312336/step Wall: 4626.05, 0.00312336/step, 3.05308 hours remaining, 235.023438 MB of memory in use. ENERGY: 1481000 3993.5624 20883.9523 14453.2733 250.5005 -203234.6895 2539.1342 0.0000 0.0000 51833.0579 -109281.2089 297.8853 -161114.2668 -108925.5898 299.3321 -124.3798 -93.1651 761325.3289 -6.5230 -6.2992 PRESSURE: 1481200 -48.1684 51.3701 85.9024 51.3696 -244.651 180.138 85.9021 180.139 8.48903 GPRESSURE: 1481200 -95.5739 84.7258 62.3597 25.511 -91.1291 145.336 33.6798 234.704 -8.13127 PRESSAVG: 1481200 -9.5308 -10.8326 4.7547 -10.8326 -3.81871 52.447 4.75465 52.4469 -4.94692 GPRESSAVG: 1481200 -8.80322 -7.5823 3.78775 -11.9947 -3.86998 51.6821 2.6336 50.7196 -5.77 TIMING: 1481200 CPU: 4626.68, 0.00313051/step Wall: 4626.68, 0.00313051/step, 3.0599 hours remaining, 235.023438 MB of memory in use. ENERGY: 1481200 4093.7539 20527.6553 14486.9237 264.9122 -202955.2515 2437.4306 0.0000 0.0000 51884.7041 -109259.8716 298.1821 -161144.5758 -108896.2978 298.9237 -94.7768 -64.9447 762869.8517 -6.0988 -6.1477 PRESSURE: 1481400 -90.5245 151.653 -283.28 151.653 -138.261 320.894 -283.28 320.895 -282.356 GPRESSURE: 1481400 55.1591 263.521 -243.706 144.672 -137.092 327.256 -195.379 236.776 -356.787 PRESSAVG: 1481400 -27.5372 53.4515 75.1551 53.4514 46.251 17.2048 75.1551 17.2048 -4.96261 GPRESSAVG: 1481400 -26.5099 52.0251 77.1964 54.8485 45.199 18.5674 76.7755 19.4805 -4.57309 TIMING: 1481400 CPU: 4627.3, 0.00313387/step Wall: 4627.3, 0.00313387/step, 3.06301 hours remaining, 235.023438 MB of memory in use. ENERGY: 1481400 4034.1399 20556.6323 14430.5076 258.1564 -203147.0100 2613.5796 0.0000 0.0000 51939.8641 -109314.1300 298.4991 -161253.9941 -108946.2443 299.2363 -170.3806 -146.2400 762472.7567 4.5837 4.7053 PRESSURE: 1481600 314.471 166.946 89.674 166.946 10.5263 -68.8796 89.6724 -68.8784 308.047 GPRESSURE: 1481600 351.327 103.912 208.324 239.831 59.4236 -186.099 137.278 -80.5594 311.037 PRESSAVG: 1481600 7.56291 58.863 32.807 58.863 8.54606 31.4641 32.807 31.4642 15.9841 GPRESSAVG: 1481600 6.34184 60.3297 32.4344 60.8054 9.38948 30.5678 33.5544 28.3931 15.9667 TIMING: 1481600 CPU: 4627.93, 0.00312901/step Wall: 4627.93, 0.00312902/step, 3.05809 hours remaining, 235.023438 MB of memory in use. ENERGY: 1481600 4020.0828 20496.1034 14390.1912 238.8875 -203517.1116 2928.5506 0.0000 0.0000 52108.4119 -109334.8842 299.4678 -161443.2961 -108971.7381 299.0846 211.0150 240.5960 761911.6147 10.6977 10.5660 PRESSURE: 1481800 79.3705 85.864 201.343 85.8645 -395.31 139.663 201.344 139.663 -243.76 GPRESSURE: 1481800 3.29055 59.0464 179.958 52.682 -276.274 196.509 196.358 -13.8927 -205.505 PRESSAVG: 1481800 -17.8209 28.3796 -0.251668 28.3796 38.6026 11.9991 -0.251658 11.9991 2.45075 GPRESSAVG: 1481800 -16.6683 28.3496 -0.309274 25.784 37.8762 12.8464 -3.85374 12.3921 1.87911 TIMING: 1481800 CPU: 4628.56, 0.00314653/step Wall: 4628.56, 0.00314653/step, 3.07503 hours remaining, 235.023438 MB of memory in use. ENERGY: 1481800 4048.8731 20651.7488 14380.8922 252.5157 -203231.3716 2684.4981 0.0000 0.0000 51939.2544 -109273.5892 298.4956 -161212.8437 -108912.9283 299.1806 -186.5664 -159.4961 762647.9999 7.7442 7.6957 PRESSURE: 1482000 14.3506 -105.739 -347.092 -105.738 359.413 -94.2999 -347.091 -94.3008 245.704 GPRESSURE: 1482000 172.269 -28.6249 -409.864 -91.886 354.161 -93.5032 -288.975 -29.2736 178.707 PRESSAVG: 1482000 11.9911 22.9677 31.4828 22.9677 39.4948 17.5322 31.4828 17.5322 -0.495674 GPRESSAVG: 1482000 10.9849 21.7393 29.5255 22.806 40.6109 18.484 34.095 17.1663 -0.0568808 TIMING: 1482000 CPU: 4629.18, 0.00312297/step Wall: 4629.18, 0.00312297/step, 3.05183 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1482000 4003.9917 20616.0230 14395.6804 238.7507 -203607.1985 3207.3889 0.0000 0.0000 52088.5108 -109056.8529 299.3534 -161145.3638 -108694.9800 299.3984 206.4893 235.0458 761019.0283 16.9967 17.1796 PRESSURE: 1482200 -68.7849 -48.0591 -15.7234 -48.059 -18.0248 52.2655 -15.7237 52.2655 -327.146 GPRESSURE: 1482200 38.1722 143.047 13.9584 -51.2889 -120.626 169.37 19.9845 80.0976 -248.418 PRESSAVG: 1482200 31.2908 14.5741 -9.68943 14.5741 19.1542 -14.5439 -9.68941 -14.5439 10.8466 GPRESSAVG: 1482200 31.8981 13.5197 -10.3371 15.9961 17.4803 -15.4086 -8.97202 -12.6393 11.3636 TIMING: 1482200 CPU: 4629.81, 0.00314945/step Wall: 4629.81, 0.00314945/step, 3.07754 hours remaining, 235.023438 MB of memory in use. ENERGY: 1482200 3964.1270 20656.6107 14432.3509 259.4796 -202872.3898 2258.9970 0.0000 0.0000 52012.6223 -109288.2022 298.9173 -161300.8245 -108931.7254 299.1854 -137.9853 -110.2904 762364.5994 20.4305 20.2474 PRESSURE: 1482400 134.085 34.1507 191.994 34.1507 158.227 -110.651 191.994 -110.651 -149.486 GPRESSURE: 1482400 133.3 -18.6176 166.179 4.79789 185.936 -158.76 94.1473 -164.742 -70.9953 PRESSAVG: 1482400 37.3168 13.767 12.2218 13.767 -9.81723 45.9251 12.2219 45.9252 -5.34472 GPRESSAVG: 1482400 37.3924 12.927 12.9058 13.8461 -9.36169 45.0967 12.5513 45.5174 -6.71814 TIMING: 1482400 CPU: 4630.45, 0.00316513/step Wall: 4630.45, 0.00316513/step, 3.09268 hours remaining, 235.023438 MB of memory in use. ENERGY: 1482400 3995.2554 20574.0421 14435.4670 258.8701 -203422.0520 2864.9436 0.0000 0.0000 51907.9040 -109385.5698 298.3154 -161293.4738 -109025.9461 298.8893 47.6088 82.7469 762675.8332 7.3850 7.1042 PRESSURE: 1482600 -91.8673 3.37096 -215.496 3.37096 -39.0884 277.015 -215.496 277.014 -127.726 GPRESSURE: 1482600 -82.1521 -67.9696 -194.318 -34.0983 64.8892 223.837 -197.686 344.47 -139.248 PRESSAVG: 1482600 -12.6694 66.4284 0.0227498 66.4284 47.2008 28.6281 0.0227286 28.628 1.85583 GPRESSAVG: 1482600 -13.1709 68.934 1.13098 64.8896 47.6719 30.3767 -1.90152 28.2924 2.11775 TIMING: 1482600 CPU: 4631.07, 0.00314022/step Wall: 4631.07, 0.00314022/step, 3.06817 hours remaining, 235.023438 MB of memory in use. ENERGY: 1482600 3944.1255 20633.1207 14446.6326 256.0768 -203150.4769 2599.7464 0.0000 0.0000 52020.5516 -109250.2233 298.9628 -161270.7749 -108884.6782 299.1118 -86.2273 -52.1703 762306.0302 12.1291 12.2062 PRESSURE: 1482800 -136.391 -4.6935 -13.985 -4.69289 161.706 223.826 -13.9847 223.827 88.6152 GPRESSURE: 1482800 -100.18 98.9353 61.0349 -3.94486 194.916 252.919 35.3658 251.892 85.1118 PRESSAVG: 1482800 -23.9548 6.61756 36.5782 6.61754 22.2046 25.7411 36.5782 25.7411 22.1401 GPRESSAVG: 1482800 -23.7738 5.13776 36.6813 7.20176 21.8096 23.7824 36.4041 25.3877 21.9588 TIMING: 1482800 CPU: 4631.7, 0.00314972/step Wall: 4631.7, 0.00314972/step, 3.07728 hours remaining, 235.023438 MB of memory in use. ENERGY: 1482800 3954.4585 20552.9463 14446.5750 233.8851 -203427.7430 2963.6503 0.0000 0.0000 51839.1087 -109437.1191 297.9201 -161276.2277 -109071.4961 298.9077 37.9768 59.9491 761844.6096 6.7966 6.6649 PRESSURE: 1483000 -385.005 -191.106 -154.381 -191.105 -288.808 -504.627 -154.381 -504.628 -130.848 GPRESSURE: 1483000 -319.01 -20.0231 -196.857 -250.383 -227.23 -439.409 -136.662 -340.86 -198.026 PRESSAVG: 1483000 37.7301 12.6514 -18.9058 12.6514 -34.4542 28.6674 -18.9057 28.6673 -18.9608 GPRESSAVG: 1483000 38.2831 13.2497 -19.2409 11.89 -35.5355 30.6865 -16.3328 28.9705 -18.0619 TIMING: 1483000 CPU: 4632.34, 0.00319089/step Wall: 4632.34, 0.00319089/step, 3.11732 hours remaining, 235.023438 MB of memory in use. ENERGY: 1483000 3942.7308 20547.3017 14397.2526 231.5767 -203263.6898 2655.3320 0.0000 0.0000 52252.9895 -109236.5064 300.2986 -161489.4959 -108868.4246 298.7666 -268.2200 -248.0889 763812.0121 -5.2283 -5.1048 PRESSURE: 1483200 375.015 241.419 82.2694 241.419 -249.722 117.509 82.2694 117.509 -5.35825 GPRESSURE: 1483200 358.838 257.233 59.6494 315.419 -205.198 122.59 -14.0679 205.797 38.918 PRESSAVG: 1483200 56.8485 36.2343 32.0487 36.2343 -41.3436 2.58015 32.0488 2.58025 35.9332 GPRESSAVG: 1483200 56.9697 35.5175 32.3411 36.4111 -41.1268 1.07423 29.3599 3.44464 35.3887 TIMING: 1483200 CPU: 4632.97, 0.00314737/step Wall: 4632.97, 0.00314737/step, 3.07463 hours remaining, 235.023438 MB of memory in use. ENERGY: 1483200 3947.5721 20555.1560 14384.8566 237.4741 -203513.5623 3143.4457 0.0000 0.0000 52053.6510 -109191.4069 299.1530 -161245.0579 -108828.8833 299.5105 39.9782 64.1861 763978.4107 17.1460 17.0772 PRESSURE: 1483400 -54.8097 50.513 -27.2554 50.5133 -218.871 -4.42716 -27.2557 -4.42719 196.285 GPRESSURE: 1483400 49.0779 95.6266 -20.8308 -31.4188 -199.356 30.1389 -64.5943 -117.273 155.744 PRESSAVG: 1483400 51.5028 22.2517 -13.6466 22.2517 -59.7175 -4.86998 -13.6466 -4.87003 6.32118 GPRESSAVG: 1483400 51.3808 21.0813 -12.6765 23.0219 -59.7323 -3.88124 -14.5082 -5.79355 6.69262 TIMING: 1483400 CPU: 4633.6, 0.00314711/step Wall: 4633.6, 0.00314711/step, 3.0742 hours remaining, 235.023438 MB of memory in use. ENERGY: 1483400 3992.4975 20504.1918 14417.4762 250.8919 -202847.7045 2520.4710 0.0000 0.0000 52165.5424 -108996.6337 299.7961 -161162.1760 -108631.1251 299.4728 -25.7984 1.8221 763305.1391 -0.6312 -0.5529 PRESSURE: 1483600 157.037 -74.1496 -184.64 -74.1494 31.547 -102.13 -184.639 -102.13 10.4258 GPRESSURE: 1483600 210.107 -58.8124 -251.536 -66.2652 45.9461 -90.4272 -99.1907 -89.6897 45.2736 PRESSAVG: 1483600 20.9934 11.6251 2.23897 11.6251 -0.980784 64.864 2.23901 64.8641 1.99938 GPRESSAVG: 1483600 21.5271 12.829 1.00071 10.7085 -1.27115 63.578 4.90803 68.1337 1.8491 TIMING: 1483600 CPU: 4634.23, 0.0031448/step Wall: 4634.23, 0.0031448/step, 3.07177 hours remaining, 235.023438 MB of memory in use. ENERGY: 1483600 4000.7806 20492.2847 14426.0193 258.2817 -203123.1721 2738.8170 0.0000 0.0000 52046.0712 -109160.9176 299.1095 -161206.9888 -108796.9354 299.6682 66.3365 100.4423 764370.2376 7.3373 7.3683 PRESSURE: 1483800 41.5958 -277.78 260.693 -277.78 112.908 6.65942 260.693 6.66093 -275.409 GPRESSURE: 1483800 24.653 -191.392 329.041 -212.879 156.268 16.0349 179.447 -63.0405 -231.007 PRESSAVG: 1483800 -31.7725 15.6626 6.72622 15.6626 36.3081 -46.7597 6.72619 -46.7597 -0.267995 GPRESSAVG: 1483800 -31.7474 17.0049 7.11401 15.3836 38.141 -44.9198 4.66753 -50.4646 -2.26617 TIMING: 1483800 CPU: 4634.85, 0.00311982/step Wall: 4634.85, 0.00311982/step, 3.0472 hours remaining, 235.023438 MB of memory in use. ENERGY: 1483800 4006.9662 20465.9515 14477.9344 236.7539 -203498.0828 3127.7545 0.0000 0.0000 52088.6910 -109094.0312 299.3544 -161182.7222 -108734.8986 299.6520 -40.3015 -16.6954 765412.1415 1.4225 1.3758 PRESSURE: 1484000 -13.0774 198.271 -149.002 198.271 -47.0176 179.471 -149.002 179.47 -34.1147 GPRESSURE: 1484000 -29.1066 159.323 -178.62 183.779 -0.363743 162.102 -72.4503 60.9018 -5.99008 PRESSAVG: 1484000 1.07568 -34.2276 31.5056 -34.2277 -22.3104 5.89935 31.5055 5.89937 -14.6651 GPRESSAVG: 1484000 -0.457597 -34.1133 32.3136 -33.8026 -21.3242 4.70797 32.1066 7.89663 -14.0982 TIMING: 1484000 CPU: 4635.48, 0.00314741/step Wall: 4635.48, 0.00314741/step, 3.07397 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1484000 3999.7069 20396.1900 14386.5449 251.8609 -202672.5078 2447.4049 0.0000 0.0000 52081.7281 -109109.0720 299.3144 -161190.8001 -108743.1435 299.0236 -31.4033 -11.8201 764820.8167 -11.9666 -11.9600 PRESSURE: 1484200 214.264 -114.443 264.274 -114.444 115.1 164.531 264.274 164.53 -183.722 GPRESSURE: 1484200 125.015 -33.3021 171.918 -166.561 194.066 224.689 275.601 176.422 -99.8129 PRESSAVG: 1484200 -31.9155 -5.17087 -2.08528 -5.1708 36.1482 -5.68987 -2.0853 -5.68986 -3.16242 GPRESSAVG: 1484200 -31.0184 -6.19116 -4.50427 -5.88247 35.0063 -6.1006 -0.469037 -7.08237 -2.7723 TIMING: 1484200 CPU: 4636.11, 0.00314759/step Wall: 4636.11, 0.00314758/step, 3.07397 hours remaining, 235.023438 MB of memory in use. ENERGY: 1484200 4021.4345 20573.5998 14408.4746 263.7010 -202867.4551 2608.6826 0.0000 0.0000 52002.4744 -108989.0883 298.8589 -160991.5626 -108638.8533 299.6500 48.5474 73.0894 764919.5161 0.3568 0.4052 LDB: ============= START OF LOAD BALANCING ============== 4648.59 LDB: ============== END OF LOAD BALANCING =============== 4648.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4648.59 LDB: ============= START OF LOAD BALANCING ============== 4648.91 LDB: Largest compute 6971 load 0.029536 is 15.1% of average load 0.195124 LDB: Average compute 0.004353 is 2.2% of average load 0.195124 LDB: TIME 4648.91 LOAD: AVG 0.195124 MAX 0.215591 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.598 MB LDB: TIME 4648.91 LOAD: AVG 0.195124 MAX 0.215591 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.668 MB LDB: TIME 4648.91 LOAD: AVG 0.195124 MAX 0.215591 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.668 MB LDB: ============== END OF LOAD BALANCING =============== 4648.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4648.92 PRESSURE: 1484400 -413.029 -144.588 -313.375 -144.589 -279.086 9.07669 -313.375 9.07743 -841.391 GPRESSURE: 1484400 -406.865 -137.62 -326.255 -127.325 -213.542 4.70354 -212.605 50.5974 -827.48 PRESSAVG: 1484400 -23.4433 26.1357 -15.818 26.1357 3.81513 36.7502 -15.818 36.7502 -23.3753 GPRESSAVG: 1484400 -23.7319 26.7002 -14.7172 26.3975 4.24559 37.5931 -17.1847 35.9055 -22.9083 TIMING: 1484400 CPU: 4636.75, 0.00320691/step Wall: 4636.75, 0.00320691/step, 3.13173 hours remaining, 234.050781 MB of memory in use. ENERGY: 1484400 4120.4841 20486.3177 14464.2069 256.2143 -202694.1119 2409.0258 0.0000 0.0000 51949.4877 -109008.3754 298.5544 -160957.8631 -108642.3163 299.3224 -511.1689 -482.6286 763748.7275 -14.3345 -14.1316 PRESSURE: 1484600 -12.5501 -115.524 -107.254 -115.525 -304.908 -329.635 -107.255 -329.635 -332.845 GPRESSURE: 1484600 -0.247444 -71.772 -22.4261 -176.241 -281.651 -339.199 -110.563 -285.208 -275.654 PRESSAVG: 1484600 23.4332 21.144 -62.0657 21.144 -32.0841 2.60919 -62.0657 2.60919 -17.7993 GPRESSAVG: 1484600 24.1599 20.6831 -60.1216 20.0889 -34.093 2.83475 -63.2826 2.11176 -17.6246 TIMING: 1484600 CPU: 4637.38, 0.00312135/step Wall: 4637.38, 0.00312135/step, 3.048 hours remaining, 234.050781 MB of memory in use. ENERGY: 1484600 4121.7851 20401.1974 14459.9854 256.8952 -202840.2975 2441.0371 0.0000 0.0000 52212.1607 -108947.2366 300.0640 -161159.3973 -108597.4552 299.8021 -216.7677 -185.8510 762057.5642 -8.8167 -9.1859 PRESSURE: 1484800 -386.874 -21.4512 94.4865 -21.4524 -579.324 -18.8693 94.4874 -18.8691 110.57 GPRESSURE: 1484800 -227.233 -71.9487 109.266 23.8698 -649.724 74.8262 161.085 -30.3227 100.353 PRESSAVG: 1484800 31.9538 23.7599 -7.55888 23.7599 -59.4564 10.4977 -7.55883 10.4978 -9.99607 GPRESSAVG: 1484800 32.9364 22.033 -8.45687 25.7713 -59.6928 9.68807 -7.41516 11.6867 -10.5517 TIMING: 1484800 CPU: 4638, 0.00312997/step Wall: 4638, 0.00312997/step, 3.05624 hours remaining, 234.050781 MB of memory in use. ENERGY: 1484800 4056.9657 20606.5682 14344.1407 254.5841 -203145.9042 2640.2670 0.0000 0.0000 52000.8106 -109242.5679 298.8494 -161243.3785 -108884.4506 299.3432 -285.2097 -258.8681 762606.7198 -12.4995 -12.4360 PRESSURE: 1485000 155.762 -45.0636 85.2709 -45.0636 137.056 -213.698 85.2708 -213.698 527.688 GPRESSURE: 1485000 222.491 -16.2657 180.925 -101.558 202.576 -240.505 40.1256 -107.274 470.858 PRESSAVG: 1485000 13.6979 -6.79656 53.3265 -6.79659 22.9968 50.0311 53.3263 50.0311 50.9827 GPRESSAVG: 1485000 12.6881 -4.98234 54.4492 -8.70526 24.0254 49.9941 53.1486 51.1912 50.5309 TIMING: 1485000 CPU: 4638.63, 0.00311287/step Wall: 4638.63, 0.00311287/step, 3.03937 hours remaining, 234.050781 MB of memory in use. ENERGY: 1485000 4001.0664 20556.2071 14426.4452 270.8333 -203161.3922 2900.1744 0.0000 0.0000 51922.3286 -109084.3371 298.3983 -161006.6657 -108730.6408 299.2015 273.5018 298.6413 760824.7768 29.2258 29.0815 PRESSURE: 1485200 -54.0763 -25.5574 149.01 -25.5573 -202.649 -15.9181 149.011 -15.9175 -334.775 GPRESSURE: 1485200 -78.0527 -77.0784 95.4766 -16.5612 -125.07 -22.3956 122.674 -20.9538 -305.55 PRESSAVG: 1485200 -60.5442 6.49407 3.47756 6.49412 90.3153 -12.2948 3.47755 -12.2947 -14.6661 GPRESSAVG: 1485200 -61.5659 7.36158 1.74485 6.74513 91.02 -12.1924 6.09584 -14.2379 -14.2395 TIMING: 1485200 CPU: 4639.25, 0.00311046/step Wall: 4639.25, 0.00311046/step, 3.03685 hours remaining, 234.050781 MB of memory in use. ENERGY: 1485200 3943.6669 20433.7294 14429.5538 242.2078 -202858.2577 2582.0113 0.0000 0.0000 52153.4577 -109073.6308 299.7266 -161227.0884 -108719.4715 299.4433 -197.1668 -169.5575 762994.6759 5.0350 5.0715 PRESSURE: 1485400 -459.275 -119.136 -91.6957 -119.136 -324.418 -38.7267 -91.6963 -38.7264 -297.523 GPRESSURE: 1485400 -467.009 -113.919 -135.285 -150.611 -323.237 -2.50945 -41.5931 40.6195 -212.843 PRESSAVG: 1485400 3.25828 41.796 -3.69742 41.796 -2.52919 -59.8142 -3.69741 -59.8142 5.79185 GPRESSAVG: 1485400 4.33739 39.657 -4.67215 43.7842 -3.91417 -59.8189 -4.15008 -60.2481 6.1007 TIMING: 1485400 CPU: 4639.88, 0.00312866/step Wall: 4639.88, 0.00312866/step, 3.05444 hours remaining, 234.050781 MB of memory in use. ENERGY: 1485400 4060.8341 20427.7982 14448.4717 241.6472 -202508.7464 2253.6785 0.0000 0.0000 52005.4420 -109070.8747 298.8760 -161076.3167 -108712.6033 299.8718 -360.4055 -334.3634 762378.0551 2.1736 2.1746 PRESSURE: 1485600 -75.6506 189.057 -239.272 189.058 -143.712 162.801 -239.272 162.801 172.161 GPRESSURE: 1485600 -40.9782 263.088 -307.305 170.154 3.85607 204.098 -211.334 75.663 71.9072 PRESSAVG: 1485600 -84.941 127.698 -22.8899 127.698 92.7007 -11.1777 -22.8899 -11.1776 14.705 GPRESSAVG: 1485600 -85.9099 129.347 -20.9416 125.247 94.6573 -10.9979 -23.4117 -10.2709 13.2869 TIMING: 1485600 CPU: 4640.5, 0.00312842/step Wall: 4640.5, 0.00312842/step, 3.05403 hours remaining, 234.050781 MB of memory in use. ENERGY: 1485600 4088.0248 20519.2824 14344.7160 240.9787 -202760.9584 2608.8788 0.0000 0.0000 51991.0129 -108968.0647 298.7931 -160959.0776 -108601.6023 299.8352 -15.7340 11.5950 763425.3384 7.4883 7.3448 PRESSURE: 1485800 -175.439 -95.1365 61.0246 -95.1369 -340.821 116.068 61.0242 116.068 -332.165 GPRESSURE: 1485800 -188.769 -217.738 31.1416 -41.7621 -281.962 157.001 99.6142 71.2351 -283.575 PRESSAVG: 1485800 11.7798 16.4007 -17.2388 16.4007 -11.8521 -24.6021 -17.2388 -24.6022 18.0978 GPRESSAVG: 1485800 12.6765 15.1863 -18.0774 18.6885 -13.1362 -24.2648 -17.8846 -24.089 17.9187 TIMING: 1485800 CPU: 4641.13, 0.00313002/step Wall: 4641.13, 0.00313002/step, 3.05542 hours remaining, 234.050781 MB of memory in use. ENERGY: 1485800 4032.7290 20491.1379 14424.0391 257.8697 -203151.9702 2610.5007 0.0000 0.0000 52319.5669 -109016.1269 300.6813 -161335.6938 -108655.6173 300.5116 -282.8086 -251.4356 761622.2962 6.0085 5.8197 PRESSURE: 1486000 -221.444 -266.707 -58.8463 -266.708 96.9522 115.03 -58.8462 115.03 -290.522 GPRESSURE: 1486000 -223.51 -204.6 -154.989 -164.619 193.709 60.0673 -45.8039 88.6531 -269.624 PRESSAVG: 1486000 -30.0429 -11.8003 13.8887 -11.8003 -32.3531 -19.4801 13.8887 -19.4801 24.9448 GPRESSAVG: 1486000 -30.8903 -11.6511 16.3335 -13.1015 -32.0309 -19.2104 13.5467 -19.9987 25.1697 TIMING: 1486000 CPU: 4641.75, 0.00311756/step Wall: 4641.75, 0.00311756/step, 3.04309 hours remaining, 234.050781 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: 1486000 4055.8366 20381.3236 14425.3225 265.0599 -203011.3052 2660.6040 0.0000 0.0000 52234.7959 -108988.3628 300.1941 -161223.1587 -108633.8601 300.1014 -138.3378 -99.8081 763124.9243 -12.4837 -12.5838 PRESSURE: 1486200 -182.788 -121.921 109.318 -121.922 -110.163 57.3962 109.317 57.3959 -79.3587 GPRESSURE: 1486200 -133.629 -70.9401 119.476 -105.155 -108.893 126.701 100.162 13.32 -31.5491 PRESSAVG: 1486200 -14.2346 19.5367 -22.5955 19.5367 27.9963 -10.3342 -22.5954 -10.3343 -3.75658 GPRESSAVG: 1486200 -13.46 21.9787 -23.8678 20.2092 26.2198 -10.5867 -22.5004 -9.92122 -3.10288 TIMING: 1486200 CPU: 4642.37, 0.00311175/step Wall: 4642.37, 0.00311175/step, 3.03725 hours remaining, 234.050781 MB of memory in use. ENERGY: 1486200 3871.2172 20443.9959 14417.2971 237.4481 -202752.7775 2512.5479 0.0000 0.0000 52422.7774 -108847.4939 301.2744 -161270.2713 -108487.2097 300.0022 -124.1034 -91.3569 762142.6683 3.3350 3.2190 PRESSURE: 1486400 -191.319 98.5017 -242.594 98.5012 -3.14954 -231.04 -242.594 -231.038 62.7065 GPRESSURE: 1486400 -77.3321 106.223 -275.405 114.068 -70.0517 -207.411 -188.145 -173.262 94.4089 PRESSAVG: 1486400 -1.47843 46.2417 -24.172 46.2417 -13.239 -10.4703 -24.172 -10.4703 -6.61822 GPRESSAVG: 1486400 -3.08233 44.4014 -24.6379 45.4913 -11.4046 -10.2668 -24.864 -12.4135 -7.259 TIMING: 1486400 CPU: 4643, 0.00312999/step Wall: 4643, 0.00312999/step, 3.05487 hours remaining, 234.050781 MB of memory in use. ENERGY: 1486400 3883.0514 20441.3248 14487.5941 257.2912 -203210.0100 2632.0243 0.0000 0.0000 52470.4616 -109038.2626 301.5485 -161508.7243 -108668.5778 299.8709 -43.9207 -17.6583 762235.1396 -7.1119 -7.2486 PRESSURE: 1486600 -125.107 -68.5286 -100.135 -68.5282 -50.5359 153.614 -100.135 153.614 9.92987 GPRESSURE: 1486600 -133.661 -18.4914 -6.74294 -114.082 8.25363 135.944 -146.24 28.6469 44.2055 PRESSAVG: 1486600 -20.5595 32.7941 7.19952 32.7941 23.8761 -5.26528 7.19954 -5.26528 8.41065 GPRESSAVG: 1486600 -19.4445 32.5133 7.52696 34.752 22.294 -4.85231 6.9196 -4.54968 8.87453 TIMING: 1486600 CPU: 4643.63, 0.00313209/step Wall: 4643.63, 0.00313209/step, 3.05674 hours remaining, 234.050781 MB of memory in use. ENERGY: 1486600 3998.0162 20626.3323 14392.1681 259.9557 -203005.1993 2818.4055 0.0000 0.0000 52059.5552 -108850.7664 299.1870 -160910.3215 -108504.8543 299.3759 -55.2377 -27.0671 763184.4880 3.9091 3.9080 PRESSURE: 1486800 228.748 -87.7566 18.3365 -87.7569 -221.038 76.2084 18.3356 76.2074 158.517 GPRESSURE: 1486800 226.617 67.5558 -57.2886 -121.619 -118.179 79.5684 -46.357 -0.16235 148.852 PRESSAVG: 1486800 63.8189 -0.470926 14.9644 -0.470921 -39.0939 35.4683 14.9644 35.4683 4.71064 GPRESSAVG: 1486800 63.8622 -0.802236 14.1985 -2.78754 -38.6982 34.1813 16.7358 35.3937 4.46997 TIMING: 1486800 CPU: 4644.25, 0.00313634/step Wall: 4644.25, 0.00313634/step, 3.06072 hours remaining, 234.050781 MB of memory in use. ENERGY: 1486800 3976.3647 20540.7238 14375.5450 263.8553 -202967.5421 2863.9891 0.0000 0.0000 52077.8849 -108869.1795 299.2923 -160947.0644 -108503.9621 300.0263 55.4088 85.7634 764695.6933 9.8119 9.8780 PRESSURE: 1487000 -57.266 -203.22 -106.775 -203.219 -363.817 -13.3253 -106.776 -13.3245 -548.87 GPRESSURE: 1487000 -83.7505 -134.731 -188.757 -101.802 -323.833 -0.743794 -124.082 75.1286 -482.254 PRESSAVG: 1487000 -11.34 -32.5968 30.8913 -32.5969 -17.4024 53.8232 30.8912 53.8231 9.43915 GPRESSAVG: 1487000 -11.3335 -31.9595 31.7946 -31.5654 -16.7035 54.6448 29.5389 55.2874 8.58892 TIMING: 1487000 CPU: 4644.88, 0.00311897/step Wall: 4644.88, 0.00311897/step, 3.04359 hours remaining, 234.050781 MB of memory in use. ENERGY: 1487000 4048.8861 20460.9699 14448.5213 264.2990 -202710.1721 2333.3509 0.0000 0.0000 52179.1239 -108975.0211 299.8741 -161154.1450 -108613.3505 299.7668 -323.3179 -296.6127 763252.1826 -6.4344 -6.4827 PRESSURE: 1487200 199.174 73.5184 149.035 73.5189 139.355 -123.916 149.034 -123.916 211.815 GPRESSURE: 1487200 144.996 61.7861 167.353 99.1583 189.6 -72.4153 127.773 -136.598 276.338 PRESSAVG: 1487200 -24.7776 54.9828 14.0025 54.9828 56.9216 6.51935 14.0027 6.51934 3.71028 GPRESSAVG: 1487200 -25.0574 55.3414 12.7369 53.1267 55.4004 7.96884 14.4481 6.78904 4.92191 TIMING: 1487200 CPU: 4645.5, 0.00311013/step Wall: 4645.5, 0.00311013/step, 3.03479 hours remaining, 234.050781 MB of memory in use. ENERGY: 1487200 3920.5763 20592.6789 14367.9112 227.6817 -203117.4864 2821.4002 0.0000 0.0000 52298.0753 -108889.1627 300.5578 -161187.2380 -108530.4652 299.8575 183.4477 203.6445 762516.7537 11.9514 11.7550 PRESSURE: 1487400 313.607 134.057 -190.713 134.057 290.228 -54.4551 -190.713 -54.4557 -278.579 GPRESSURE: 1487400 257.019 -0.82662 -243.316 130.74 352.15 51.6125 -151.356 -133.885 -200.022 PRESSAVG: 1487400 -29.1064 58.0304 -39.1781 58.0303 34.3115 75.0638 -39.1781 75.0639 -1.60069 GPRESSAVG: 1487400 -30.9102 56.3848 -38.1815 58.8579 36.1815 73.8211 -41.0889 73.456 -1.75797 TIMING: 1487400 CPU: 4646.12, 0.0031325/step Wall: 4646.12, 0.0031325/step, 3.05645 hours remaining, 234.050781 MB of memory in use. ENERGY: 1487400 4064.7300 20536.5617 14401.9282 246.1568 -203128.4948 2813.6958 0.0000 0.0000 52185.0536 -108880.3688 299.9082 -161065.4224 -108518.0085 300.0367 108.4186 136.3822 762292.5783 1.2015 1.1711 PRESSURE: 1487600 -450.734 92.9243 169.428 92.9243 -279.371 5.54138 169.428 5.54106 -30.5141 GPRESSURE: 1487600 -475.754 146.726 60.0027 117.592 -231.947 59.1293 194.037 -50.714 18.5738 PRESSAVG: 1487600 -61.5014 43.3499 -38.6127 43.35 26.8926 59.9918 -38.6126 59.9918 -15.2307 GPRESSAVG: 1487600 -59.7552 41.8051 -40.4075 44.6856 25.2506 60.4133 -36.6318 59.274 -15.7675 TIMING: 1487600 CPU: 4646.75, 0.00312953/step Wall: 4646.75, 0.00312953/step, 3.05338 hours remaining, 234.050781 MB of memory in use. ENERGY: 1487600 4032.5693 20573.5135 14426.8063 232.2952 -203176.3370 2572.6801 0.0000 0.0000 51990.1825 -109348.2902 298.7883 -161338.4727 -108978.8950 299.5762 -253.5396 -229.7091 764189.9296 -16.6132 -16.7574 PRESSURE: 1487800 44.896 -69.6128 -35.6163 -69.613 189.536 79.8425 -35.6169 79.8418 -94.5328 GPRESSURE: 1487800 65.3927 -150.778 -82.5365 -54.8634 159.512 191.072 -66.8993 27.7395 -11.7094 PRESSAVG: 1487800 -34.7043 -44.1268 -13.8627 -44.1268 25.7688 24.8628 -13.8628 24.8628 -4.89709 GPRESSAVG: 1487800 -33.5369 -43.7228 -14.0923 -44.2133 25.5136 24.0499 -14.6533 23.823 -6.60045 TIMING: 1487800 CPU: 4647.37, 0.00310824/step Wall: 4647.37, 0.00310824/step, 3.03243 hours remaining, 234.050781 MB of memory in use. ENERGY: 1487800 4023.3828 20704.3797 14443.9435 244.6684 -203926.5759 3179.2211 0.0000 0.0000 52161.4578 -109169.5225 299.7726 -161330.9804 -108803.2360 300.0000 46.6332 71.0650 762568.5095 -4.6109 -4.8746 PRESSURE: 1488000 -122.189 -169.168 -23.8932 -169.169 110.571 -182.251 -23.8938 -182.252 116.343 GPRESSURE: 1488000 -62.8634 -206.698 -46.2042 -151.691 113.139 -213.248 -101.161 -179.958 164.37 PRESSAVG: 1488000 -7.1488 10.593 -44.5023 10.5931 18.2063 26.035 -44.5023 26.035 21.3839 GPRESSAVG: 1488000 -7.61873 12.7527 -42.5762 9.28716 18.2001 27 -45.0516 28.554 21.9797 TIMING: 1488000 CPU: 4647.99, 0.00309117/step Wall: 4647.99, 0.00309117/step, 3.01561 hours remaining, 234.050781 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: 1488000 4015.0286 20637.6127 14429.3951 246.0127 -203368.6472 2803.6973 0.0000 0.0000 52093.9429 -109142.9580 299.3846 -161236.9009 -108773.9233 299.8575 34.9082 71.5483 762615.9702 10.8138 10.8537 PRESSURE: 1488200 36.0947 112.155 -32.6606 112.153 153.373 -255.784 -32.6605 -255.783 -107.228 GPRESSURE: 1488200 11.8566 170.998 -58.3058 127.465 202.674 -278.205 14.5694 -278.174 -47.5349 PRESSAVG: 1488200 -14.2396 -28.441 9.76483 -28.4411 73.7279 10.4873 9.7648 10.4874 7.21849 GPRESSAVG: 1488200 -15.2627 -27.1242 8.49047 -27.6236 75.4531 9.52091 11.7501 11.3719 6.63353 TIMING: 1488200 CPU: 4648.61, 0.00310961/step Wall: 4648.61, 0.00310961/step, 3.03342 hours remaining, 234.050781 MB of memory in use. ENERGY: 1488200 4072.5310 20774.5868 14517.1141 242.5185 -203490.8080 2656.2653 0.0000 0.0000 52091.8080 -109135.9844 299.3723 -161227.7924 -108774.6942 299.9226 27.4132 55.6654 761162.8183 22.2356 22.2746 LDB: ============= START OF LOAD BALANCING ============== 4661.09 LDB: ============== END OF LOAD BALANCING =============== 4661.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4661.09 LDB: ============= START OF LOAD BALANCING ============== 4661.41 LDB: Largest compute 7010 load 0.028335 is 14.5% of average load 0.195224 LDB: Average compute 0.004376 is 2.2% of average load 0.195224 LDB: TIME 4661.41 LOAD: AVG 0.195224 MAX 0.214813 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.562 MB LDB: TIME 4661.41 LOAD: AVG 0.195224 MAX 0.214813 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.762 MB LDB: TIME 4661.41 LOAD: AVG 0.195224 MAX 0.214813 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.762 MB LDB: ============== END OF LOAD BALANCING =============== 4661.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4661.42 PRESSURE: 1488400 -129.142 -22.4868 107.935 -22.4864 32.5 179.707 107.935 179.705 103.036 GPRESSURE: 1488400 -124.765 37.6757 142.087 27.264 67.4252 215.533 15.8308 186.124 144.028 PRESSAVG: 1488400 23.3859 2.44876 22.1813 2.44875 -20.4494 17.7537 22.1814 17.7537 -19.4699 GPRESSAVG: 1488400 23.4542 -0.548903 22.8751 3.06997 -21.259 18.1403 20.8636 16.7337 -18.6555 TIMING: 1488400 CPU: 4649.25, 0.0031924/step Wall: 4649.25, 0.0031924/step, 3.11401 hours remaining, 235.593750 MB of memory in use. ENERGY: 1488400 4113.5869 20593.8333 14502.5823 252.6496 -203014.3549 2412.9559 0.0000 0.0000 51947.8593 -109190.8875 298.5451 -161138.7468 -108827.9687 299.6391 2.1313 28.8958 762797.1945 -5.5111 -5.4868 PRESSURE: 1488600 131.59 113.198 -143.895 113.199 -84.9084 121.31 -143.895 121.31 397.253 GPRESSURE: 1488600 77.2095 111.083 -92.5963 122.953 -46.7115 179.952 -155.369 8.23349 489.539 PRESSAVG: 1488600 4.73276 -2.20058 -15.5365 -2.20051 -43.7037 36.0618 -15.5365 36.0619 24.3243 GPRESSAVG: 1488600 5.05835 -1.4461 -14.2382 1.79206 -44.748 35.8539 -14.8852 35.0876 24.4249 TIMING: 1488600 CPU: 4649.88, 0.00312273/step Wall: 4649.88, 0.00312273/step, 3.04588 hours remaining, 235.664062 MB of memory in use. ENERGY: 1488600 3961.4343 20621.2345 14474.4321 254.3600 -203752.7652 2874.1023 0.0000 0.0000 52163.4037 -109403.7983 299.7838 -161567.2021 -109049.9020 299.1025 147.9781 173.3456 760130.6829 -4.8822 -5.0883 PRESSURE: 1488800 12.1732 105.957 213.534 105.957 -69.7562 -85.7368 213.534 -85.7358 -98.5777 GPRESSURE: 1488800 135.802 30.1883 289.982 158.625 -158.276 -29.0061 -3.15588 -17.7904 -62.7382 PRESSAVG: 1488800 28.3386 41.8184 2.94926 41.8184 -5.67348 -30.8716 2.94924 -30.8716 9.24821 GPRESSAVG: 1488800 27.7021 40.6911 1.41835 38.7886 -6.27861 -30.2767 -0.0607583 -30.1026 10.2397 TIMING: 1488800 CPU: 4650.5, 0.00312506/step Wall: 4650.5, 0.00312506/step, 3.04797 hours remaining, 235.664062 MB of memory in use. ENERGY: 1488800 3948.4320 20582.3586 14435.0469 237.8881 -203673.9303 3000.8690 0.0000 0.0000 52076.2362 -109393.0995 299.2828 -161469.3357 -109038.7422 299.2077 -52.0535 -28.4039 763108.8000 10.6378 10.5544 PRESSURE: 1489000 130.968 -90.9641 -105.918 -90.9645 -199.289 33.9955 -105.918 33.9953 67.0295 GPRESSURE: 1489000 198.013 -85.9074 -137.029 -123.934 -104.526 -25.1872 -39.8733 125.697 -15.0911 PRESSAVG: 1489000 5.82744 -26.8608 -11.9176 -26.8607 -4.59887 22.7411 -11.9175 22.741 -3.36545 GPRESSAVG: 1489000 5.89027 -24.6914 -12.2835 -28.5556 -4.16187 21.6012 -11.6606 23.5 -3.69347 TIMING: 1489000 CPU: 4651.12, 0.00309171/step Wall: 4651.12, 0.00309171/step, 3.01528 hours remaining, 235.664062 MB of memory in use. ENERGY: 1489000 4029.6871 20508.4115 14385.2000 250.1579 -203510.4541 2825.0860 0.0000 0.0000 52270.3374 -109241.5741 300.3983 -161511.9116 -108870.9334 299.2104 -0.4305 26.1319 762164.5991 -0.7123 -0.6550 PRESSURE: 1489200 -432.894 -132.559 -137.677 -132.559 271.118 -68.5864 -137.676 -68.5863 -549.151 GPRESSURE: 1489200 -316.383 -31.2899 -120.681 -55.0174 232.598 -24.6321 -203.936 -144.016 -557.288 PRESSAVG: 1489200 5.76812 -17.7748 -4.15384 -17.7748 -68.3137 -6.89382 -4.15386 -6.89385 0.811495 GPRESSAVG: 1489200 5.77668 -19.5256 -3.30382 -16.5024 -67.9195 -7.41007 -4.99925 -7.41034 1.03759 TIMING: 1489200 CPU: 4651.74, 0.00308558/step Wall: 4651.74, 0.00308558/step, 3.00913 hours remaining, 235.664062 MB of memory in use. ENERGY: 1489200 4033.1151 20572.9741 14497.8145 247.7455 -203380.4581 2916.5605 0.0000 0.0000 52090.7266 -109021.5218 299.3661 -161112.2485 -108657.2309 300.0409 -236.9755 -213.6909 763511.4269 -20.5780 -20.3684 PRESSURE: 1489400 71.2708 33.5542 111.082 33.5546 -340.844 70.7663 111.082 70.7672 28.7789 GPRESSURE: 1489400 39.061 -44.4851 47.6555 32.2376 -231.764 83.6173 210.65 -15.4433 41.3197 PRESSAVG: 1489400 -51.7082 -14.479 -8.17432 -14.4789 44.1329 -25.3092 -8.17432 -25.3092 20.8287 GPRESSAVG: 1489400 -51.7857 -14.2971 -8.19891 -16.063 44.0537 -24.3856 -6.42135 -27.5071 20.7155 TIMING: 1489400 CPU: 4652.36, 0.00310928/step Wall: 4652.36, 0.00310928/step, 3.03207 hours remaining, 235.664062 MB of memory in use. ENERGY: 1489400 4087.8968 20629.1161 14409.6572 234.8251 -203360.8560 2778.0842 0.0000 0.0000 52115.1074 -109106.1692 299.5062 -161221.2766 -108742.1481 299.8124 -80.2647 -50.4612 762047.6656 4.4178 4.3278 PRESSURE: 1489600 67.4986 132.966 -264.253 132.966 -124.454 -128.261 -264.254 -128.262 5.61727 GPRESSURE: 1489600 101.887 52.2757 -143.534 166.522 -92.8983 -175.854 -275.986 -59.1435 17.3548 PRESSAVG: 1489600 -6.07085 84.4798 10.1067 84.4797 34.6833 1.56164 10.1067 1.56161 -14.1082 GPRESSAVG: 1489600 -6.29025 85.1123 10.3917 83.8652 35.4015 -0.57135 10.9252 4.88294 -14.795 TIMING: 1489600 CPU: 4652.98, 0.00309705/step Wall: 4652.98, 0.00309705/step, 3.01997 hours remaining, 235.664062 MB of memory in use. ENERGY: 1489600 4032.1279 20596.6905 14413.1634 244.8438 -203139.1263 2637.1694 0.0000 0.0000 52417.8138 -108797.3174 301.2459 -161215.1312 -108425.2572 299.7146 -17.1126 8.7812 762855.3756 4.8347 4.7721 PRESSURE: 1489800 -371.04 -0.768503 26.5858 -0.768138 -156.978 -160.973 26.586 -160.974 405.405 GPRESSURE: 1489800 -264.286 -32.3549 36.6806 -66.9643 -152.644 -87.5941 19.8196 -208.673 387.114 PRESSAVG: 1489800 -5.38767 54.6612 36.4315 54.6612 -34.7599 -3.67124 36.4315 -3.67122 -8.16465 GPRESSAVG: 1489800 -4.93003 56.6993 34.9789 54.8027 -35.6732 -0.658287 37.0609 -4.15794 -7.80943 TIMING: 1489800 CPU: 4653.6, 0.00309487/step Wall: 4653.6, 0.00309487/step, 3.01767 hours remaining, 235.664062 MB of memory in use. ENERGY: 1489800 4046.5147 20635.9306 14383.0323 251.1089 -203407.6960 2760.5610 0.0000 0.0000 52227.3463 -109103.2022 300.1513 -161330.5484 -108733.5033 300.2154 -40.8711 -9.9387 761713.9563 -16.1041 -16.1376 PRESSURE: 1490000 -188.254 -246.883 -165.075 -246.883 -109.003 -15.9157 -165.076 -15.9162 70.4475 GPRESSURE: 1490000 -44.6358 -194.577 -155.197 -148.98 -85.104 -23.8928 -181.57 99.5958 1.39006 PRESSAVG: 1490000 -1.54576 -15.8079 -7.6508 -15.8079 4.54263 -28.19 -7.65081 -28.19 -20.3952 GPRESSAVG: 1490000 -1.95718 -17.2091 -6.57418 -14.4366 4.27114 -27.601 -7.73482 -29.424 -20.6549 TIMING: 1490000 CPU: 4654.22, 0.00309784/step Wall: 4654.22, 0.00309784/step, 3.02039 hours remaining, 235.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1490000 4085.6889 20736.7596 14344.6673 262.2155 -203469.4629 2685.9045 0.0000 0.0000 52188.2856 -109165.9415 299.9268 -161354.2271 -108807.0231 299.7682 -75.6031 -42.7832 761949.5349 -5.7995 -6.1136 PRESSURE: 1490200 -31.1567 177.013 -56.3635 177.013 105.726 115.921 -56.3637 115.92 -45.2214 GPRESSURE: 1490200 22.0379 197.253 -75.0234 149.791 91.8613 45.8931 -119.949 60.7301 -10.0805 PRESSAVG: 1490200 13.196 45.3448 41.7375 45.3448 -25.6143 -1.84754 41.7375 -1.8476 -28.8213 GPRESSAVG: 1490200 12.4452 45.4336 39.9728 44.3647 -24.0489 -3.39033 42.2802 -0.517693 -29.7339 TIMING: 1490200 CPU: 4654.84, 0.00311172/step Wall: 4654.84, 0.00311172/step, 3.03376 hours remaining, 235.664062 MB of memory in use. ENERGY: 1490200 4081.5923 20773.1781 14479.8619 280.5260 -203934.3896 3039.0456 0.0000 0.0000 52091.5239 -109188.6619 299.3707 -161280.1858 -108833.6512 300.1004 9.7825 34.6062 762352.6784 -13.7465 -13.7792 PRESSURE: 1490400 -413.879 205.961 -28.7606 205.962 99.3309 -315.99 -28.7609 -315.991 -569.393 GPRESSURE: 1490400 -374.536 134.951 -33.857 233.13 116.105 -283.345 -8.80502 -224.449 -536.768 PRESSAVG: 1490400 -14.7441 33.8154 58.0255 33.8154 -3.90582 26.2891 58.0254 26.2891 -1.14851 GPRESSAVG: 1490400 -12.3408 32.7608 58.9676 34.436 -6.39878 27.6271 57.1095 24.6871 -1.09936 TIMING: 1490400 CPU: 4655.46, 0.00310743/step Wall: 4655.46, 0.00310743/step, 3.02939 hours remaining, 235.664062 MB of memory in use. ENERGY: 1490400 4024.4795 20786.0840 14420.3973 225.9048 -203595.5039 2732.0766 0.0000 0.0000 52106.4163 -109300.1454 299.4563 -161406.5617 -108935.7507 299.6619 -294.6469 -265.0661 762324.0131 -6.5995 -6.6130 PRESSURE: 1490600 -99.6423 240.731 90.3167 240.732 52.0408 -275.086 90.317 -275.086 -486.609 GPRESSURE: 1490600 -95.2738 137.913 9.8803 254.751 64.2784 -321.74 282.972 -190.544 -447.374 PRESSAVG: 1490600 -0.928612 26.5614 63.3172 26.5615 -4.5357 2.57808 63.3173 2.57795 -4.98575 GPRESSAVG: 1490600 -1.60851 26.0428 65.2371 27.5214 -4.03548 0.368884 61.1735 4.82814 -5.21518 TIMING: 1490600 CPU: 4656.08, 0.00310619/step Wall: 4656.08, 0.00310619/step, 3.02801 hours remaining, 235.664062 MB of memory in use. ENERGY: 1490600 3999.5121 20638.3175 14395.0638 252.2419 -203526.5018 2855.5236 0.0000 0.0000 52140.2129 -109245.6301 299.6505 -161385.8430 -108875.1541 299.5319 -178.0701 -159.4565 762300.8011 -3.4834 -3.6197 PRESSURE: 1490800 -186.331 -20.1449 -66.9302 -20.1451 47.2031 98.5989 -66.9309 98.5989 221.437 GPRESSURE: 1490800 -3.55815 -133.162 -67.4546 -100.703 -17.1877 124.329 -16.613 147.124 177.147 PRESSAVG: 1490800 -18.3846 -2.86148 29.0253 -2.86152 18.2913 38.5213 29.0254 38.5213 20.9793 GPRESSAVG: 1490800 -19.4141 -3.21904 26.9437 -2.83502 19.2899 40.1761 31.6072 36.623 21.3475 TIMING: 1490800 CPU: 4656.7, 0.0031055/step Wall: 4656.7, 0.0031055/step, 3.02717 hours remaining, 235.664062 MB of memory in use. ENERGY: 1490800 3996.8524 20581.5447 14441.0829 260.5293 -203513.6345 2793.2320 0.0000 0.0000 52206.2810 -109234.1121 300.0302 -161440.3931 -108858.5394 299.5063 27.4365 52.1339 762720.8711 6.9620 7.0744 PRESSURE: 1491000 -186.912 -31.8907 186.836 -31.8903 -56.6261 -189.08 186.836 -189.079 -90.9543 GPRESSURE: 1491000 -287.517 58.1661 154.244 -156.101 73.0941 -244.246 79.7671 -225.247 -45.461 PRESSAVG: 1491000 42.043 48.6562 -12.4132 48.6563 -18.1865 -9.23905 -12.4132 -9.23906 -2.42098 GPRESSAVG: 1491000 42.299 48.6914 -12.7145 47.7233 -18.9805 -10.9347 -13.1728 -9.72184 -2.62307 TIMING: 1491000 CPU: 4657.33, 0.00312109/step Wall: 4657.33, 0.00312109/step, 3.04219 hours remaining, 235.664062 MB of memory in use. ENERGY: 1491000 3967.3029 20553.8333 14428.5500 233.3357 -203205.4112 2556.5834 0.0000 0.0000 52006.5519 -109459.2540 298.8824 -161465.8059 -109095.7665 299.5344 -111.4973 -86.6279 763657.4357 7.1452 6.8985 PRESSURE: 1491200 -426.753 115.314 47.4728 115.315 -494.936 166.918 47.4733 166.918 -50.728 GPRESSURE: 1491200 -413.508 99.0732 -2.72771 192.885 -342.69 179.361 38.2327 278.525 -127.345 PRESSAVG: 1491200 -11.8835 -34.338 8.56545 -34.338 10.2398 23.9307 8.56537 23.9307 11.2925 GPRESSAVG: 1491200 -10.7177 -32.6468 7.7321 -34.9767 9.82535 23.4107 10.7695 25.4516 10.4032 TIMING: 1491200 CPU: 4657.95, 0.00309715/step Wall: 4657.95, 0.00309715/step, 3.01869 hours remaining, 235.664062 MB of memory in use. ENERGY: 1491200 3971.4763 20661.0977 14387.9438 259.2855 -203444.3390 2602.7260 0.0000 0.0000 52113.9802 -109447.8294 299.4998 -161561.8097 -109085.8334 298.9432 -324.1390 -294.5146 762630.2274 3.2163 3.1703 PRESSURE: 1491400 -153.629 -99.7033 91.1059 -99.7032 -257.406 87.0876 91.1062 87.0888 60.7533 GPRESSURE: 1491400 -103.3 32.8083 160.07 -53.1482 -284.283 76.7716 47.1579 126.292 142.878 PRESSAVG: 1491400 -37.6248 33.3734 -2.43186 33.3734 50.4183 27.734 -2.43194 27.734 -10.5795 GPRESSAVG: 1491400 -39.026 34.0376 -2.13101 33.9796 51.332 28.9784 -4.51044 27.1717 -9.39716 TIMING: 1491400 CPU: 4658.57, 0.00311451/step Wall: 4658.57, 0.00311451/step, 3.03544 hours remaining, 235.664062 MB of memory in use. ENERGY: 1491400 3913.9434 20559.8678 14410.6667 249.4341 -203488.0846 2777.9276 0.0000 0.0000 52211.4087 -109364.8362 300.0597 -161576.2449 -108991.1814 299.9445 -116.7606 -81.5680 762091.5578 0.7380 0.9696 PRESSURE: 1491600 405.65 -59.6515 216.428 -59.65 40.1353 -34.2413 216.428 -34.2414 90.4337 GPRESSURE: 1491600 478.043 -189.245 275.783 -87.5869 53.7271 -17.4775 247.568 -50.6342 78.4463 PRESSAVG: 1491600 19.694 29.7158 4.97035 29.7159 -38.6788 55.6679 4.97033 55.6678 -14.7666 GPRESSAVG: 1491600 20.7779 27.7317 7.13412 30.7042 -40.321 55.7041 4.57925 53.7659 -15.0044 TIMING: 1491600 CPU: 4659.19, 0.0031211/step Wall: 4659.19, 0.0031211/step, 3.04168 hours remaining, 235.664062 MB of memory in use. ENERGY: 1491600 4072.5211 20598.9207 14350.4231 261.3459 -203856.1586 3025.3726 0.0000 0.0000 52164.9283 -109382.6470 299.7926 -161547.5752 -109025.2297 299.8573 178.7397 203.4056 760871.2310 -11.2505 -11.5158 PRESSURE: 1491800 -153.469 -91.831 12.9974 -91.8316 67.4511 156.808 12.9977 156.809 -166.465 GPRESSURE: 1491800 -49.1229 -36.3537 -92.1607 -79.225 -2.52463 191.093 22.1535 117.894 -114.376 PRESSAVG: 1491800 5.84836 33.3977 11.0142 33.3976 -19.9614 16.1384 11.0142 16.1384 -6.13308 GPRESSAVG: 1491800 5.49707 33.9857 9.52513 33.0237 -20.2204 17.3558 10.5697 16.8933 -5.23073 TIMING: 1491800 CPU: 4659.81, 0.00310548/step Wall: 4659.81, 0.00310548/step, 3.02629 hours remaining, 235.664062 MB of memory in use. ENERGY: 1491800 4082.6248 20617.1364 14367.2295 248.9935 -203010.5690 2636.5422 0.0000 0.0000 51782.0110 -109276.0316 297.5919 -161058.0426 -108916.9738 299.7743 -84.1609 -55.3411 762285.9850 -6.7487 -6.6514 PRESSURE: 1492000 41.6024 -175.767 -76.4838 -175.767 169.582 -154.219 -76.4837 -154.219 -332.26 GPRESSURE: 1492000 168.311 -328.662 -13.1582 -135.854 128.852 -98.5402 -56.4561 2.08829 -338.793 PRESSAVG: 1492000 59.4058 -38.4943 -42.9556 -38.4942 -18.1595 -4.7286 -42.9556 -4.72858 12.6994 GPRESSAVG: 1492000 59.3547 -38.6079 -43.7057 -39.0554 -16.8313 -6.51506 -41.8608 -2.44867 11.7174 TIMING: 1492000 CPU: 4660.44, 0.00311086/step Wall: 4660.44, 0.00311086/step, 3.03136 hours remaining, 235.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1492000 3978.9760 20634.9809 14283.9666 243.7767 -203397.1119 2672.6437 0.0000 0.0000 52236.7508 -109346.0171 300.2053 -161582.7680 -108987.3285 299.3888 -40.3584 -13.8766 761816.6097 17.9819 18.0802 PRESSURE: 1492200 42.9041 -42.9038 50.3161 -42.9039 -130.554 -85.9439 50.3154 -85.9418 -70.4494 GPRESSURE: 1492200 118.565 -39.3247 36.198 -178.517 -45.6267 -150.571 -37.346 -132.911 -144.543 PRESSAVG: 1492200 -3.55456 -8.50806 -11.0652 -8.50807 -63.9242 -4.60641 -11.0651 -4.60639 -1.98072 GPRESSAVG: 1492200 -4.77602 -7.93413 -11.3333 -8.94507 -63.5504 -4.10646 -10.701 -3.80245 -1.56216 TIMING: 1492200 CPU: 4661.06, 0.00310682/step Wall: 4661.06, 0.00310682/step, 3.02725 hours remaining, 235.664062 MB of memory in use. ENERGY: 1492200 4021.7845 20781.1754 14348.6116 218.8781 -203581.3587 2699.5877 0.0000 0.0000 51955.3125 -109556.0090 298.5879 -161511.3214 -109199.4828 299.1274 -52.6997 -23.8685 760900.5547 -23.1532 -23.2962 LDB: ============= START OF LOAD BALANCING ============== 4673.54 LDB: ============== END OF LOAD BALANCING =============== 4673.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4673.54 LDB: ============= START OF LOAD BALANCING ============== 4673.85 LDB: Largest compute 7052 load 0.029172 is 15.0% of average load 0.195113 LDB: Average compute 0.004372 is 2.2% of average load 0.195113 LDB: TIME 4673.85 LOAD: AVG 0.195113 MAX 0.218367 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.332 MB LDB: TIME 4673.86 LOAD: AVG 0.195113 MAX 0.218367 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.332 MB LDB: TIME 4673.86 LOAD: AVG 0.195113 MAX 0.215579 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.332 MB LDB: ============== END OF LOAD BALANCING =============== 4673.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4673.86 PRESSURE: 1492400 -274.723 171.094 194.763 171.093 -258.967 -212.877 194.763 -212.878 -24.8322 GPRESSURE: 1492400 -239.123 196.345 246.816 282.712 -197.865 -187.77 170.634 -224.909 -39.1008 PRESSAVG: 1492400 38.0801 17.036 -12.5559 17.0359 -51.1415 15.1472 -12.556 15.1471 -19.1904 GPRESSAVG: 1492400 40.1619 15.894 -11.4195 17.4847 -51.7921 15.9791 -15.0702 13.5374 -20.4079 TIMING: 1492400 CPU: 4661.7, 0.00319548/step Wall: 4661.7, 0.00319547/step, 3.11346 hours remaining, 234.371094 MB of memory in use. ENERGY: 1492400 4056.0263 20325.4568 14336.6507 251.4341 -203279.5921 2722.5367 0.0000 0.0000 52090.7727 -109496.7148 299.3664 -161587.4875 -109135.7132 299.7047 -186.1739 -158.6963 763747.6097 -10.7506 -10.6794 PRESSURE: 1492600 160.194 111.277 97.0451 111.278 -174.678 90.6484 97.0449 90.6497 -94.1156 GPRESSURE: 1492600 186.471 204.197 117.857 109.109 -185.141 85.6399 155.838 44.9713 -28.948 PRESSAVG: 1492600 45.9519 0.316922 -41.4252 0.316999 -74.5787 -26.5972 -41.4252 -26.5972 11.1201 GPRESSAVG: 1492600 46.4131 2.54884 -41.5479 -0.0544944 -74.9872 -25.8832 -37.8651 -26.5138 11.3806 TIMING: 1492600 CPU: 4662.32, 0.00311975/step Wall: 4662.32, 0.00311975/step, 3.03951 hours remaining, 234.371094 MB of memory in use. ENERGY: 1492600 4036.6919 20514.0429 14384.6340 251.0059 -203154.3732 2607.2061 0.0000 0.0000 52025.5673 -109335.2251 298.9917 -161360.7924 -108975.5568 299.0800 -36.1999 -9.2060 761886.7557 -5.8356 -5.7312 PRESSURE: 1492800 -90.9557 40.1245 29.8311 40.1246 -61.4024 -189.178 29.8313 -189.178 -52.022 GPRESSURE: 1492800 -81.2854 143.398 6.04239 30.6716 -13.9245 -152.937 49.2978 -121.489 -30.0758 PRESSAVG: 1492800 -14.1362 36.4058 -59.5081 36.4057 4.23663 67.8185 -59.5081 67.8184 27.8393 GPRESSAVG: 1492800 -13.6827 36.9761 -60.16 38.0676 4.43869 66.4884 -59.5228 66.5279 27.5208 TIMING: 1492800 CPU: 4662.94, 0.00312248/step Wall: 4662.94, 0.00312248/step, 3.04199 hours remaining, 234.371094 MB of memory in use. ENERGY: 1492800 3995.3848 20571.3862 14399.5778 258.2693 -203788.4028 2998.5513 0.0000 0.0000 52095.9211 -109469.3123 299.3960 -161565.2334 -109105.9681 299.1336 -68.1267 -41.7619 761041.6180 5.9799 6.0923 PRESSURE: 1493000 160.443 111.766 120.247 111.766 159.714 148.072 120.248 148.072 -84.1584 GPRESSURE: 1493000 236.453 122.269 115.394 117.775 113.458 128.553 34.6454 12.2579 -46.947 PRESSAVG: 1493000 6.09316 44.9565 -25.6535 44.9564 -27.4289 9.15172 -25.6534 9.15176 29.3834 GPRESSAVG: 1493000 5.13531 44.7372 -24.7112 42.5679 -26.6557 8.33982 -25.8908 13.4215 29.494 TIMING: 1493000 CPU: 4663.57, 0.00311474/step Wall: 4663.57, 0.00311474/step, 3.03428 hours remaining, 234.371094 MB of memory in use. ENERGY: 1493000 4021.0133 20545.2477 14371.8751 228.0199 -203508.7441 2857.7866 0.0000 0.0000 52051.7120 -109433.0895 299.1419 -161484.8015 -109073.7096 298.7555 78.6661 100.9880 761985.5327 2.6826 2.6579 PRESSURE: 1493200 -153.973 310.036 98.5289 310.036 -227.268 33.7226 98.5288 33.7229 53.9553 GPRESSURE: 1493200 -50.8196 207.172 6.9712 195.4 -253.224 87.4252 103.883 78.9409 60.2857 PRESSAVG: 1493200 41.7247 66.1514 64.5072 66.1514 15.0701 -18.1347 64.5072 -18.1347 24.3306 GPRESSAVG: 1493200 41.8245 65.0658 64.2196 67.7979 15.1143 -17.7869 63.6314 -20.4331 24.1912 TIMING: 1493200 CPU: 4664.19, 0.00312203/step Wall: 4664.19, 0.00312203/step, 3.0412 hours remaining, 234.371094 MB of memory in use. ENERGY: 1493200 4015.8758 20409.2699 14410.5514 230.5414 -203230.3443 2653.1852 0.0000 0.0000 52093.3145 -109417.6063 299.3810 -161510.9208 -109053.5432 299.2031 -109.0951 -81.2526 762308.3989 27.0418 27.0433 PRESSURE: 1493400 -159.422 154.887 23.7697 154.886 94.3593 -41.6386 23.7702 -41.6399 244.86 GPRESSURE: 1493400 -126.208 131.743 -1.41284 175.293 169.032 65.6566 -0.655077 78.3808 222.333 PRESSAVG: 1493400 -23.4524 11.2943 -39.4798 11.2944 11.7438 0.892935 -39.4798 0.892968 24.5768 GPRESSAVG: 1493400 -24.3194 10.9898 -39.7458 11.4911 11.8768 1.40344 -39.0136 1.06496 25.8401 TIMING: 1493400 CPU: 4664.82, 0.00311334/step Wall: 4664.82, 0.00311334/step, 3.03257 hours remaining, 234.371094 MB of memory in use. ENERGY: 1493400 4006.0872 20372.4546 14356.6150 267.2055 -203467.7251 2749.6852 0.0000 0.0000 52085.4757 -109630.2019 299.3359 -161715.6776 -109273.9683 298.9382 59.9323 88.3853 763067.6853 4.2894 4.4658 PRESSURE: 1493600 -195.428 -39.498 -30.5779 -39.498 -530.615 85.5342 -30.5777 85.5341 -18.1522 GPRESSURE: 1493600 -208.82 25.2347 -57.4064 -17.9295 -472.347 60.3054 -14.0258 -25.605 29.782 PRESSAVG: 1493600 50.396 38.7937 38.7606 38.7937 -14.5081 10.1714 38.7606 10.1714 -18.623 GPRESSAVG: 1493600 51.5528 40.9847 39.477 37.04 -15.5692 9.64884 39.3305 7.95856 -18.5446 TIMING: 1493600 CPU: 4665.44, 0.00310978/step Wall: 4665.44, 0.00310978/step, 3.02893 hours remaining, 234.371094 MB of memory in use. ENERGY: 1493600 3933.8102 20372.3032 14428.5566 270.4333 -203410.9910 2582.0713 0.0000 0.0000 52210.3178 -109613.4987 300.0534 -161823.8164 -109253.1526 298.7802 -248.0652 -217.1284 763334.4682 5.7549 5.8130 PRESSURE: 1493800 -32.2833 -309.583 -166.292 -309.583 50.3187 28.0568 -166.292 28.0569 107.913 GPRESSURE: 1493800 -16.6867 -310.175 -193.882 -244.353 114.984 -15.9719 -36.0429 163.085 103.878 PRESSAVG: 1493800 -38.0486 32.1602 57.706 32.1602 88.2534 -33.8791 57.706 -33.8791 -0.529015 GPRESSAVG: 1493800 -37.328 31.081 56.6461 33.1335 89.1984 -33.495 57.7417 -31.9999 -2.3091 TIMING: 1493800 CPU: 4666.06, 0.0031061/step Wall: 4666.06, 0.0031061/step, 3.02517 hours remaining, 234.371094 MB of memory in use. ENERGY: 1493800 3914.7723 20543.8460 14404.7907 237.1869 -203686.9184 2819.5660 0.0000 0.0000 52143.4743 -109623.2821 299.6693 -161766.7564 -109268.8891 298.5302 41.9828 67.3919 761632.7405 16.5586 16.5205 PRESSURE: 1494000 -177.978 -118.313 -164.145 -118.313 17.64 -137.977 -164.145 -137.978 -152.119 GPRESSURE: 1494000 -157.711 -56.8505 -132.397 -135.188 95.3007 -91.687 -200.563 -39.8514 -146.483 PRESSAVG: 1494000 -47.5053 -14.8941 -26.4115 -14.8942 67.2891 -38.8529 -26.4115 -38.853 -5.88648 GPRESSAVG: 1494000 -48.8361 -15.0454 -25.0458 -12.6977 68.1434 -37.4057 -26.1764 -39.0657 -5.25948 TIMING: 1494000 CPU: 4666.68, 0.00310074/step Wall: 4666.68, 0.00310074/step, 3.01978 hours remaining, 234.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1494000 3972.5107 20508.1659 14438.8697 250.2725 -203533.4953 2783.4167 0.0000 0.0000 51988.8089 -109591.4509 298.7804 -161580.2598 -109232.9769 299.1692 -104.1524 -69.6310 761269.2275 4.6324 4.6826 PRESSURE: 1494200 -134.397 -114.412 222.304 -114.412 -5.67602 143.059 222.304 143.059 214.665 GPRESSURE: 1494200 -117.151 -77.4123 254.864 -141.665 15.1823 130.66 281.945 132.537 273.761 PRESSAVG: 1494200 -33.2785 -39.7893 37.3259 -39.7893 12.8867 53.5231 37.3259 53.5231 -10.7851 GPRESSAVG: 1494200 -33.1964 -39.4527 37.0355 -41.0483 11.9336 52.3626 35.3015 51.9368 -9.84799 TIMING: 1494200 CPU: 4667.3, 0.00312926/step Wall: 4667.3, 0.00312926/step, 3.04738 hours remaining, 234.371094 MB of memory in use. ENERGY: 1494200 3949.2669 20559.8630 14315.2888 257.4267 -203429.9353 2887.7700 0.0000 0.0000 52170.8045 -109289.5153 299.8263 -161460.3199 -108933.5619 299.2642 24.8639 57.2641 762510.8828 -10.3923 -10.3703 PRESSURE: 1494400 21.4739 27.0276 33.3607 27.0265 211.234 -303.248 33.3617 -303.249 19.0379 GPRESSURE: 1494400 67.7356 144.113 61.8851 -98.0837 252.766 -343.037 90.1866 -279.526 3.61317 PRESSAVG: 1494400 22.282 18.2568 45.2394 18.2568 -22.3141 -27.9867 45.2395 -27.9866 15.9113 GPRESSAVG: 1494400 22.8324 18.9762 45.383 15.747 -22.0741 -29.3538 46.5878 -24.5801 15.0845 TIMING: 1494400 CPU: 4667.93, 0.0031319/step Wall: 4667.93, 0.0031319/step, 3.04977 hours remaining, 234.371094 MB of memory in use. ENERGY: 1494400 3863.5520 20528.8969 14416.9481 229.4212 -203110.7458 2566.3355 0.0000 0.0000 52256.3148 -109249.2774 300.3178 -161505.5922 -108880.3299 299.3063 83.9153 108.0382 761192.7440 5.2931 5.2809 PRESSURE: 1494600 27.3098 84.2625 -60.6524 84.2622 219.154 117.213 -60.6523 117.213 186.416 GPRESSURE: 1494600 62.7487 66.4258 5.99469 -41.2077 247.522 -41.7354 -61.5259 82.2604 212.098 PRESSAVG: 1494600 -16.3539 16.9349 40.1512 16.9349 20.601 -0.850283 40.1512 -0.850279 -9.6636 GPRESSAVG: 1494600 -17.0954 17.7597 41.9108 18.5306 21.7364 -0.445447 38.8696 -1.53095 -9.89572 TIMING: 1494600 CPU: 4668.55, 0.00311563/step Wall: 4668.55, 0.00311563/step, 3.03376 hours remaining, 234.371094 MB of memory in use. ENERGY: 1494600 3986.6968 20527.3450 14391.5507 241.9154 -203105.7774 2613.7339 0.0000 0.0000 52262.1570 -109082.3788 300.3513 -161344.5358 -108713.0417 299.1534 144.2931 174.1230 763430.3888 -1.8055 -1.7516 PRESSURE: 1494800 -273.688 -112.199 -379.101 -112.2 -470.858 203.002 -379.102 203.002 -196.848 GPRESSURE: 1494800 -313.802 -67.5771 -355.688 -92.7295 -455.66 234.353 -225.901 142.508 -94.1673 PRESSAVG: 1494800 16.7117 7.32538 2.07919 7.32531 16.8756 10.0129 2.07918 10.0129 -4.52663 GPRESSAVG: 1494800 16.1502 4.85307 0.186331 8.12094 17.8761 10.2488 4.301 8.72665 -4.70293 TIMING: 1494800 CPU: 4669.17, 0.00310143/step Wall: 4669.17, 0.00310143/step, 3.01976 hours remaining, 234.371094 MB of memory in use. ENERGY: 1494800 4086.2879 20580.9897 14375.0395 266.3072 -202901.8345 2355.8330 0.0000 0.0000 52300.4594 -108936.9178 300.5715 -161237.3772 -108564.5191 300.2760 -313.7979 -287.8767 763192.1742 9.6869 9.7745 PRESSURE: 1495000 -384.068 36.3102 203.791 36.309 -57.2156 -125.056 203.791 -125.055 -412.466 GPRESSURE: 1495000 -267.67 -9.77046 199.381 -68.2146 -70.4403 -144.865 144.966 -117.964 -433.382 PRESSAVG: 1495000 7.41616 20.2709 29.9491 20.2709 15.8479 -18.7562 29.9492 -18.7563 4.66067 GPRESSAVG: 1495000 8.87014 22.6727 28.7613 20.0885 14.5243 -18.1157 28.5315 -18.5633 4.38377 TIMING: 1495000 CPU: 4669.8, 0.00312393/step Wall: 4669.8, 0.00312393/step, 3.04149 hours remaining, 234.371094 MB of memory in use. ENERGY: 1495000 4116.2864 20541.5385 14466.0677 247.8533 -203134.7450 2510.3073 0.0000 0.0000 52339.2999 -108913.3920 300.7947 -161252.6919 -108550.8464 300.0939 -284.5832 -257.1641 761362.9637 9.3082 9.2594 PRESSURE: 1495200 -26.0155 -149.257 0.419289 -149.257 189.548 3.44389 0.418783 3.44384 184.526 GPRESSURE: 1495200 45.8441 -92.2887 -31.1473 -166.686 176.649 -109.551 -43.8661 -62.7675 247.986 PRESSAVG: 1495200 -18.1693 2.16005 42.9246 2.16007 35.3392 6.16258 42.9246 6.16249 18.8963 GPRESSAVG: 1495200 -18.7339 -0.343402 44.2937 1.03298 35.5472 5.39168 43.7795 3.83088 18.7216 TIMING: 1495200 CPU: 4670.42, 0.00310315/step Wall: 4670.42, 0.00310315/step, 3.02109 hours remaining, 234.371094 MB of memory in use. ENERGY: 1495200 3975.0178 20575.2143 14461.6708 229.6414 -203399.4449 2675.3983 0.0000 0.0000 52335.1525 -109147.3497 300.7708 -161482.5022 -108778.5613 300.0025 116.0195 156.8262 759836.4477 12.0221 11.8450 PRESSURE: 1495400 -87.4949 -124.221 235.684 -124.221 22.0842 -37.4481 235.684 -37.4493 155.985 GPRESSURE: 1495400 -91.5578 -125.47 271.998 14.9785 57.6611 -99.8557 152.364 -12.4246 203.259 PRESSAVG: 1495400 -35.4296 -16.8489 -4.14096 -16.8488 -4.11684 21.2731 -4.14094 21.273 10.3512 GPRESSAVG: 1495400 -36.3064 -16.709 -4.01051 -13.9323 -4.23611 22.9437 -3.86968 21.3695 11.1148 TIMING: 1495400 CPU: 4671.04, 0.00311986/step Wall: 4671.04, 0.00311986/step, 3.03718 hours remaining, 234.371094 MB of memory in use. ENERGY: 1495400 4050.9849 20728.1923 14385.5403 250.7477 -203265.0565 2731.5034 0.0000 0.0000 51962.2846 -109155.8032 298.6280 -161118.0878 -108802.2730 299.5118 30.1916 56.4540 762767.7064 -9.7317 -9.8092 PRESSURE: 1495600 177.437 61.8609 -336.744 61.8608 175.645 70.3138 -336.743 70.3125 -42.3532 GPRESSURE: 1495600 195.168 -38.6585 -286.113 29.6769 172.906 51.8861 -284.301 104.312 43.462 PRESSAVG: 1495600 41.0058 18.7287 -0.385281 18.7288 -4.48085 39.717 -0.38528 39.717 4.79299 GPRESSAVG: 1495600 41.9891 20.6231 0.326415 17.5722 -5.35225 39.1273 -0.996679 41.8945 4.7407 TIMING: 1495600 CPU: 4671.67, 0.00312388/step Wall: 4671.67, 0.00312388/step, 3.04093 hours remaining, 234.371094 MB of memory in use. ENERGY: 1495600 3989.3912 20606.6465 14386.1262 229.9101 -203420.5359 2767.2670 0.0000 0.0000 52394.7991 -109046.3958 301.1136 -161441.1949 -108678.4564 300.3880 103.5762 137.1785 762022.0000 13.7726 13.7925 PRESSURE: 1495800 378.429 -70.9627 57.8073 -70.9633 -37.764 41.5759 57.8067 41.5775 128.845 GPRESSURE: 1495800 393.35 -96.2582 131.508 -90.3823 -56.6551 124.017 23.1874 -47.4216 208.447 PRESSAVG: 1495800 76.3276 15.118 16.9864 15.118 -45.9519 35.2463 16.9864 35.2463 20.0899 GPRESSAVG: 1495800 75.6137 15.8951 14.8554 13.9015 -45.4389 35.575 18.2476 33.9597 19.9895 TIMING: 1495800 CPU: 4672.29, 0.00311293/step Wall: 4672.29, 0.00311293/step, 3.0301 hours remaining, 234.371094 MB of memory in use. ENERGY: 1495800 4023.7423 20666.0603 14431.0645 249.9734 -203495.3129 2870.3262 0.0000 0.0000 52267.2090 -108986.9371 300.3804 -161254.1461 -108622.4941 300.3412 156.5033 181.7140 760739.4966 16.8219 16.7214 PRESSURE: 1496000 38.6152 -76.2622 43.42 -76.2619 311.86 57.7235 43.42 57.724 116.283 GPRESSURE: 1496000 25.4903 -0.142602 -9.54527 -37.9786 290.5 7.95433 -98.3854 -93.4792 215.997 PRESSAVG: 1496000 -29.2271 30.9447 5.73746 30.9447 12.3991 -50.5066 5.7375 -50.5066 -4.90627 GPRESSAVG: 1496000 -28.3819 31.085 7.9279 31.1234 11.3045 -49.8662 4.11982 -50.7459 -4.54024 TIMING: 1496000 CPU: 4672.91, 0.00311673/step Wall: 4672.91, 0.00311673/step, 3.03362 hours remaining, 234.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1496000 4017.6764 20600.4674 14421.5303 244.0981 -203586.2718 2813.0124 0.0000 0.0000 52646.0214 -108843.4658 302.5574 -161489.4872 -108489.3904 300.3911 155.5860 177.3292 763935.3183 -7.2448 -7.2059 PRESSURE: 1496200 42.6724 55.8906 -187.593 55.8907 -127.294 -2.05028 -187.593 -2.05191 -111.906 GPRESSURE: 1496200 69.2813 -42.2777 -106.944 74.2361 -120.258 23.0032 -155.136 139.698 -60.0245 PRESSAVG: 1496200 17.1324 2.7595 -29.9564 2.7595 -23.2795 3.12109 -29.9565 3.12114 12.4439 GPRESSAVG: 1496200 17.4168 1.49879 -29.6035 2.82416 -22.1943 2.49442 -31.2596 4.60373 11.2931 TIMING: 1496200 CPU: 4673.54, 0.00311831/step Wall: 4673.54, 0.00311831/step, 3.03498 hours remaining, 234.371094 MB of memory in use. ENERGY: 1496200 4058.0507 20590.4379 14451.0985 242.4566 -203319.9529 2906.9917 0.0000 0.0000 52274.3322 -108796.5852 300.4213 -161070.9174 -108436.3730 300.6353 -65.5093 -37.0003 762457.4875 2.0989 2.1719 LDB: ============= START OF LOAD BALANCING ============== 4686.02 LDB: ============== END OF LOAD BALANCING =============== 4686.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4686.02 LDB: ============= START OF LOAD BALANCING ============== 4686.33 LDB: Largest compute 7052 load 0.029196 is 15.0% of average load 0.195129 LDB: Average compute 0.004374 is 2.2% of average load 0.195129 LDB: TIME 4686.34 LOAD: AVG 0.195129 MAX 0.215683 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.91 MB LDB: TIME 4686.34 LOAD: AVG 0.195129 MAX 0.215683 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.91 MB LDB: TIME 4686.34 LOAD: AVG 0.195129 MAX 0.215683 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.91 MB LDB: ============== END OF LOAD BALANCING =============== 4686.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4686.35 PRESSURE: 1496400 -260.698 -12.9182 137.225 -12.9181 151.825 -126.302 137.226 -126.301 225.751 GPRESSURE: 1496400 -123.814 -56.2217 112.067 7.26055 122.565 -189.531 92.689 -185.198 219.82 PRESSAVG: 1496400 -15.0912 21.8434 -76.6639 21.8433 31.3283 8.83635 -76.6639 8.83641 11.0645 GPRESSAVG: 1496400 -14.5801 22.2797 -76.2076 23.0157 30.0779 7.89241 -76.7942 8.61037 11.7456 TIMING: 1496400 CPU: 4674.18, 0.00320851/step Wall: 4674.18, 0.00320851/step, 3.12259 hours remaining, 233.910156 MB of memory in use. ENERGY: 1496400 3961.2719 20789.2039 14466.3184 247.4539 -203227.8811 2894.5633 0.0000 0.0000 52344.8280 -108524.2417 300.8264 -160869.0697 -108164.6438 300.6462 38.9593 72.8570 763508.5033 9.1005 9.0811 PRESSURE: 1496600 -71.2197 85.7703 -154.417 85.7707 55.2525 -10.1964 -154.417 -10.1948 -139.646 GPRESSURE: 1496600 -79.2869 132.829 -192.332 59.9591 74.0023 -36.7858 -4.19238 44.2439 -52.6212 PRESSAVG: 1496600 -2.73251 29.2497 -27.3978 29.2497 -5.09804 78.2498 -27.3978 78.2499 2.73255 GPRESSAVG: 1496600 -4.89072 29.746 -29.3908 29.1988 -3.85035 79.8699 -25.1369 79.7146 3.11747 TIMING: 1496600 CPU: 4674.81, 0.00313549/step Wall: 4674.81, 0.00313549/step, 3.05136 hours remaining, 234.113281 MB of memory in use. ENERGY: 1496600 4033.0337 20725.2935 14478.9836 255.9650 -203081.8858 2611.2641 0.0000 0.0000 52599.2072 -108378.1387 302.2884 -160977.3460 -108014.8591 301.6822 -51.8712 -19.3019 762393.1271 -1.6993 -1.8745 PRESSURE: 1496800 -434.841 -118.872 176 -118.872 -190.767 -66.2081 176.001 -66.2085 -195.583 GPRESSURE: 1496800 -354.434 -154.546 39.8646 -49.2454 -197.827 8.15325 230.462 18.6165 -173.674 PRESSAVG: 1496800 64.6873 42.7925 -56.2197 42.7925 -81.2606 -12.039 -56.2197 -12.039 10.9476 GPRESSAVG: 1496800 65.9808 41.3362 -54.8891 43.1187 -81.9485 -10.9848 -56.9902 -14.2983 10.4988 TIMING: 1496800 CPU: 4675.44, 0.00314786/step Wall: 4675.44, 0.00314786/step, 3.06322 hours remaining, 234.113281 MB of memory in use. ENERGY: 1496800 4011.5641 20574.4628 14465.2500 255.1661 -202920.8067 2552.5880 0.0000 0.0000 52288.8570 -108772.9187 300.5048 -161061.7757 -108400.6760 301.0001 -273.7302 -241.9784 762978.2999 -1.8752 -1.8229 PRESSURE: 1497000 260.428 -82.9395 155.565 -82.9402 -177.148 -194.493 155.565 -194.493 -355.737 GPRESSURE: 1497000 237.366 -113.883 120.391 139.511 -147.42 -188.549 166.629 -199.976 -303.468 PRESSAVG: 1497000 5.64428 10.8987 4.54894 10.8987 11.9979 81.5568 4.54894 81.5567 -11.0283 GPRESSAVG: 1497000 5.98662 11.628 3.25136 11.1308 12.0921 81.3898 4.67722 83.485 -11.5972 TIMING: 1497000 CPU: 4676.06, 0.00314009/step Wall: 4676.06, 0.00314009/step, 3.05549 hours remaining, 234.113281 MB of memory in use. ENERGY: 1497000 4028.8338 20678.6207 14399.8235 229.1869 -203277.3554 2598.5583 0.0000 0.0000 52531.3402 -108810.9919 301.8983 -161342.3322 -108455.4604 300.3391 -90.8188 -71.1741 761983.1475 2.2046 2.1605 PRESSURE: 1497200 -56.9564 -148.495 97.0294 -148.494 -381.699 332.785 97.028 332.785 28.2089 GPRESSURE: 1497200 -38.5437 -189.685 135.564 -48.3278 -325.346 251.477 176.142 212.019 34.9037 PRESSAVG: 1497200 26.8055 -6.584 46.0551 -6.58397 -30.3763 39.0292 46.0552 39.0292 -3.44524 GPRESSAVG: 1497200 26.6639 -7.81011 46.1388 -5.96269 -30.5939 38.1072 48.3128 36.6682 -2.27453 TIMING: 1497200 CPU: 4676.69, 0.00314072/step Wall: 4676.69, 0.00314072/step, 3.05592 hours remaining, 234.113281 MB of memory in use. ENERGY: 1497200 4003.1276 20763.7007 14372.7384 251.7761 -202894.3747 2597.4248 0.0000 0.0000 52431.7617 -108473.8456 301.3261 -160905.6072 -108113.2836 300.8464 -136.8155 -109.6619 764041.4494 -2.3387 -2.0682 PRESSURE: 1497400 78.4009 208.425 31.8555 208.425 -181.124 -160.174 31.8563 -160.174 244.384 GPRESSURE: 1497400 71.8596 177.663 78.3265 207.553 -140.987 -188.983 -14.8275 -146.415 284.948 PRESSAVG: 1497400 25.402 -2.98875 -30.8578 -2.98871 -38.0384 7.54284 -30.8578 7.54288 -8.00284 GPRESSAVG: 1497400 24.926 -2.00677 -30.659 -4.6421 -36.8184 6.83623 -30.6821 10.5816 -8.89364 TIMING: 1497400 CPU: 4677.31, 0.00310532/step Wall: 4677.31, 0.00310532/step, 3.0213 hours remaining, 234.113281 MB of memory in use. ENERGY: 1497400 3981.3036 20611.7197 14434.9103 267.8444 -203136.8628 2972.8488 0.0000 0.0000 52150.3405 -108717.8954 299.7087 -160868.2360 -108360.6785 300.3536 47.2204 71.9401 763963.2698 -6.8798 -6.9287 PRESSURE: 1497600 -22.5646 4.70749 79.8855 4.70816 -15.0683 -241.291 79.886 -241.292 252.37 GPRESSURE: 1497600 27.2686 -51.5727 114.65 -2.44722 -11.4984 -228.437 -101.516 -183.35 273.547 PRESSAVG: 1497600 38.0293 10.277 -36.0119 10.277 -25.4523 4.92124 -36.0119 4.92128 -2.80084 GPRESSAVG: 1497600 38.39 9.64481 -34.3295 10.5364 -25.7951 5.63995 -37.1486 5.07159 -2.4642 TIMING: 1497600 CPU: 4677.94, 0.00310917/step Wall: 4677.94, 0.00310917/step, 3.02488 hours remaining, 234.113281 MB of memory in use. ENERGY: 1497600 3994.5683 20347.9279 14524.6386 262.2516 -202979.2017 2752.0614 0.0000 0.0000 52205.1738 -108892.5801 300.0239 -161097.7539 -108525.8346 299.8022 71.5792 96.4390 764019.9414 3.2587 3.3769 PRESSURE: 1497800 -49.9583 290.928 -27.0828 290.928 39.6228 -80.0317 -27.0821 -80.031 -108.929 GPRESSURE: 1497800 19.7885 334.942 -16.4125 319.485 49.1752 -88.1327 27.5368 -113.083 -108.05 PRESSAVG: 1497800 11.4051 36.9675 10.4382 36.9675 39.8649 -23.3258 10.4383 -23.3258 18.4648 GPRESSAVG: 1497800 10.7221 37.0767 8.68199 36.2468 39.6481 -24.3796 12.4448 -22.954 18.6261 TIMING: 1497800 CPU: 4678.56, 0.00311809/step Wall: 4678.56, 0.00311809/step, 3.03338 hours remaining, 234.113281 MB of memory in use. ENERGY: 1497800 3999.0467 20424.3543 14539.6486 260.2510 -203039.8113 2706.1172 0.0000 0.0000 52129.9006 -108980.4929 299.5913 -161110.3935 -108617.8015 299.4095 -39.7549 -13.0287 762977.0405 23.2449 22.9988 PRESSURE: 1498000 43.1464 -79.6872 -53.2737 -79.6876 -121.302 -127.786 -53.274 -127.785 -506.684 GPRESSURE: 1498000 -65.4099 -131.976 -151.481 -49.3986 -47.0281 -136.185 -4.09305 -52.9314 -372.642 PRESSAVG: 1498000 -26.6777 -0.0971488 17.1097 -0.0971015 26.0006 -24.3985 17.1097 -24.3986 -30.1861 GPRESSAVG: 1498000 -27.1885 0.150977 17.5054 2.2737 25.7049 -23.3493 14.8457 -25.0947 -29.5898 TIMING: 1498000 CPU: 4679.19, 0.00313319/step Wall: 4679.19, 0.00313319/step, 3.0479 hours remaining, 234.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1498000 4047.7909 20603.4565 14447.7648 252.2134 -203081.6997 2405.1018 0.0000 0.0000 52244.8820 -109080.4903 300.2521 -161325.3723 -108723.4323 300.0128 -194.9466 -161.6934 762391.3842 -10.2878 -10.3578 PRESSURE: 1498200 191.827 198.31 117.771 198.31 28.9399 -58.661 117.771 -58.6612 111.612 GPRESSURE: 1498200 214.344 145.634 172.265 53.2118 100.328 -8.03959 26.8893 24.7218 93.7092 PRESSAVG: 1498200 59.9181 59.137 11.1322 59.137 -26.8659 8.88038 11.1322 8.88043 5.91015 GPRESSAVG: 1498200 59.0539 58.6484 12.205 56.415 -27.6278 9.21795 11.4287 6.59878 7.37789 TIMING: 1498200 CPU: 4679.81, 0.00312391/step Wall: 4679.81, 0.00312391/step, 3.0387 hours remaining, 234.113281 MB of memory in use. ENERGY: 1498200 3921.6348 20559.9712 14514.5421 250.3733 -203414.0120 2869.5929 0.0000 0.0000 52053.4831 -109244.4145 299.1521 -161297.8976 -108881.0472 299.4636 110.7930 136.1271 761849.7589 12.9874 12.9347 PRESSURE: 1498400 -12.6161 -164.958 -95.0152 -164.959 -142.368 -40.9749 -95.0144 -40.9748 102.207 GPRESSURE: 1498400 -96.141 -59.732 -34.0726 -94.7642 -9.49826 -45.4836 -31.9613 -57.8159 143.543 PRESSAVG: 1498400 -57.8955 -79.1942 7.98647 -79.1942 72.594 46.7654 7.98651 46.7654 -3.53747 GPRESSAVG: 1498400 -56.716 -79.8734 7.61371 -77.3855 73.0131 45.9029 9.127 48.0426 -5.06792 TIMING: 1498400 CPU: 4680.43, 0.00311627/step Wall: 4680.43, 0.00311626/step, 3.03109 hours remaining, 234.113281 MB of memory in use. ENERGY: 1498400 4051.0444 20550.2767 14464.2108 246.1678 -203087.3341 2748.5774 0.0000 0.0000 51873.6950 -109153.3619 298.1188 -161027.0570 -108798.9241 298.8971 -17.5923 12.6347 764568.0490 3.7203 3.7431 PRESSURE: 1498600 -46.7136 -125.085 -41.8727 -125.085 124.701 105.759 -41.8727 105.759 -50.7349 GPRESSURE: 1498600 -46.5053 -5.89478 54.2613 -44.9999 148.293 184.457 67.3 7.14283 16.1195 PRESSAVG: 1498600 -36.5315 -45.8979 -6.60433 -45.8979 -17.1365 21.584 -6.60433 21.5839 -12.8014 GPRESSAVG: 1498600 -37.2294 -43.7862 -5.71252 -47.1222 -17.0485 21.4851 -7.27247 22.0465 -12.1793 TIMING: 1498600 CPU: 4681.06, 0.0031197/step Wall: 4681.06, 0.0031197/step, 3.03426 hours remaining, 234.113281 MB of memory in use. ENERGY: 1498600 4078.1726 20619.9354 14462.7694 257.0715 -202916.2298 2678.9781 0.0000 0.0000 51746.6025 -109072.7004 297.3884 -160819.3029 -108733.2723 298.7301 9.0841 39.3024 763725.6101 -22.1564 -22.1524 PRESSURE: 1498800 179.446 329.187 39.9631 329.187 117.344 9.66586 39.9619 9.6656 -412.602 GPRESSURE: 1498800 240.919 242.148 96.8367 276.69 90.6441 -40.1029 72.1972 223.897 -377.71 PRESSAVG: 1498800 -18.0526 52.3415 49.5951 52.3415 -7.92945 41.0635 49.595 41.0636 8.34436 GPRESSAVG: 1498800 -16.7204 49.3902 50.2412 53.9784 -8.40772 40.4785 47.7935 42.092 7.16198 TIMING: 1498800 CPU: 4681.68, 0.00311179/step Wall: 4681.68, 0.00311179/step, 3.02639 hours remaining, 234.113281 MB of memory in use. ENERGY: 1498800 4021.1667 20541.5196 14391.4443 238.7331 -202847.4875 2535.2829 0.0000 0.0000 52007.8900 -109111.4509 298.8901 -161119.3409 -108747.7739 299.5552 -38.6042 -15.3821 763653.2670 -5.8792 -5.9887 PRESSURE: 1499000 -198.428 64.2627 -277.506 64.2626 89.6433 -14.749 -277.505 -14.7491 222.002 GPRESSURE: 1499000 -169.346 180.927 -313.266 13.7109 64.2435 -5.10111 -220.33 106.904 293.586 PRESSAVG: 1499000 -2.42562 28.2668 8.97513 28.2668 5.38208 58.6473 8.97512 58.6473 -18.8771 GPRESSAVG: 1499000 -3.06873 30.1606 9.5937 26.5591 5.92791 59.6191 9.68413 60.256 -18.8727 TIMING: 1499000 CPU: 4682.31, 0.00312968/step Wall: 4682.31, 0.00312968/step, 3.04361 hours remaining, 234.113281 MB of memory in use. ENERGY: 1499000 3961.3933 20223.3773 14368.1227 259.0118 -203006.7600 2634.6193 0.0000 0.0000 52191.9075 -109368.3281 299.9476 -161560.2355 -109000.1896 299.0013 37.7393 62.8279 762328.5489 -5.3069 -5.3378 PRESSURE: 1499200 -92.4475 200.883 -32.835 200.882 -248.808 -158.49 -32.8345 -158.49 -118.795 GPRESSURE: 1499200 -41.1087 88.2605 -48.0531 236.337 -240.227 -118.272 -26.5506 -228.261 -81.4301 PRESSAVG: 1499200 60.8494 29.7878 -24.0075 29.7878 -6.06941 44.6653 -24.0074 44.6654 -8.50276 GPRESSAVG: 1499200 60.4667 29.0311 -25.7589 28.257 -5.62369 45.8573 -23.063 42.0885 -8.83277 TIMING: 1499200 CPU: 4682.93, 0.00312684/step Wall: 4682.93, 0.00312684/step, 3.04068 hours remaining, 234.113281 MB of memory in use. ENERGY: 1499200 3987.6364 20528.1206 14419.8993 250.5499 -203103.0889 2485.7157 0.0000 0.0000 52099.4399 -109331.7271 299.4162 -161431.1670 -108977.2703 298.8570 -153.3501 -120.9219 763358.4160 15.4258 15.3367 PRESSURE: 1499400 -1.62871 -151.692 40.258 -151.693 77.1712 238.896 40.257 238.896 196.401 GPRESSURE: 1499400 -96.8592 -164.29 52.4551 -118.123 215.083 245.32 -44.6605 333.705 238.693 PRESSAVG: 1499400 64.2499 36.0794 -14.8923 36.0794 -27.6274 22.0189 -14.8923 22.0188 14.7583 GPRESSAVG: 1499400 63.0187 36.0544 -16.3805 37.931 -27.3414 20.7483 -13.7592 21.167 15.5892 TIMING: 1499400 CPU: 4683.56, 0.00312919/step Wall: 4683.56, 0.00312919/step, 3.04279 hours remaining, 234.113281 MB of memory in use. ENERGY: 1499400 4024.3455 20329.1794 14477.0040 228.1644 -203389.2090 2963.9601 0.0000 0.0000 52013.4811 -109353.0745 298.9222 -161366.5556 -108990.8908 298.9329 90.6480 118.9724 762151.3640 17.1269 17.0888 PRESSURE: 1499600 -71.9713 1.09426 -285.422 1.09437 -530.773 129.743 -285.423 129.742 -281.204 GPRESSURE: 1499600 19.6128 41.7985 -186.807 38.1466 -501.892 173.534 -290.763 122.376 -314.005 PRESSAVG: 1499600 54.5932 76.6562 14.6956 76.6562 -84.6134 20.7667 14.6956 20.7667 2.24624 GPRESSAVG: 1499600 55.1404 76.6348 16.7302 75.5142 -84.5423 21.7917 13.7607 20.6536 1.52524 TIMING: 1499600 CPU: 4684.18, 0.00313498/step Wall: 4684.18, 0.00313498/step, 3.04825 hours remaining, 234.113281 MB of memory in use. ENERGY: 1499600 4029.9385 20424.7199 14427.6276 241.9615 -202906.1324 2605.1797 0.0000 0.0000 51850.8781 -109325.8272 297.9877 -161176.7052 -108964.7909 298.8578 -294.6494 -265.4281 763398.3771 -9.2580 -9.2922 PRESSURE: 1499800 107.204 80.9057 156.501 80.9066 274.033 39.9757 156.5 39.9762 -212.699 GPRESSURE: 1499800 250.479 81.4879 118.983 76.5869 217.077 21.1362 146.783 82.764 -213.84 PRESSAVG: 1499800 74.6888 36.7048 33.1215 36.7048 -76.013 19.7792 33.1216 19.7792 18.3453 GPRESSAVG: 1499800 74.5528 35.6906 33.1386 38.9527 -76.7437 17.318 31.0624 20.5344 19.306 TIMING: 1499800 CPU: 4684.81, 0.0031192/step Wall: 4684.81, 0.0031192/step, 3.03273 hours remaining, 234.113281 MB of memory in use. ENERGY: 1499800 3956.2796 20498.3007 14392.0949 238.0127 -203577.0985 3051.0474 0.0000 0.0000 52084.8619 -109356.5013 299.3324 -161441.3632 -109001.7773 298.6825 56.1791 84.5719 761879.1569 5.6737 5.7050 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1500000 WRITING COORDINATES TO RESTART FILE AT STEP 1500000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1500000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1500000 199.597 -4.55996 -172.608 -4.56064 54.3259 -285.109 -172.608 -285.109 126.874 GPRESSURE: 1500000 143.234 -39.0054 -156.969 -53.0228 131.195 -217.372 -177.451 -61.8763 188.926 PRESSAVG: 1500000 112.073 1.94317 -27.0933 1.94318 -82.4865 -1.23339 -27.0933 -1.2335 -0.454088 GPRESSAVG: 1500000 110.854 4.76184 -27.745 0.613034 -81.8362 0.347774 -24.1018 -0.916731 -0.513635 TIMING: 1500000 CPU: 4685.45, 0.00322072/step Wall: 4685.45, 0.00322072/step, 3.13126 hours remaining, 234.238281 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: 1500000 3959.4581 20388.7871 14440.0433 261.5737 -203414.9659 2783.9137 0.0000 0.0000 52021.5148 -109559.6752 298.9684 -161581.1901 -109192.5465 298.5791 126.9323 154.4517 761571.4577 9.7110 9.5015 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1500000 PRESSURE: 1500200 -7.40039 -20.9923 -46.4788 -20.9922 22.1826 -143.288 -46.4793 -143.288 49.5784 GPRESSURE: 1500200 7.79597 -31.1085 -41.9572 -97.3269 60.2004 -195.9 -1.23809 -275.438 71.4242 PRESSAVG: 1500200 14.6008 25.7915 -4.45476 25.7915 34.0061 -30.0769 -4.45476 -30.077 -22.3453 GPRESSAVG: 1500200 16.1768 22.3044 -4.50786 27.0244 32.4758 -30.0517 -3.461 -30.0681 -22.9803 TIMING: 1500200 CPU: 4686.08, 0.00314395/step Wall: 4686.08, 0.00314395/step, 3.05645 hours remaining, 234.238281 MB of memory in use. ENERGY: 1500200 4050.8503 20304.5210 14410.3047 244.3933 -203437.3908 2824.1624 0.0000 0.0000 51978.6448 -109624.5143 298.7220 -161603.1591 -109259.9250 298.5594 21.4535 46.4735 761780.1897 8.7539 8.5574 LDB: ============= START OF LOAD BALANCING ============== 4698.56 LDB: ============== END OF LOAD BALANCING =============== 4698.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4698.56 LDB: ============= START OF LOAD BALANCING ============== 4698.87 LDB: Largest compute 7052 load 0.029627 is 15.2% of average load 0.195022 LDB: Average compute 0.004377 is 2.2% of average load 0.195022 LDB: TIME 4698.88 LOAD: AVG 0.195022 MAX 0.211923 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.422 MB LDB: TIME 4698.88 LOAD: AVG 0.195022 MAX 0.211923 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.629 MB LDB: TIME 4698.88 LOAD: AVG 0.195022 MAX 0.211923 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.629 MB LDB: ============== END OF LOAD BALANCING =============== 4698.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4698.88 PRESSURE: 1500400 -394.915 62.053 -335.533 62.0545 -324.627 125.032 -335.532 125.032 -0.965734 GPRESSURE: 1500400 -359.606 136.185 -399.911 23.8705 -311.674 87.6891 -283.239 55.4692 54.4284 PRESSAVG: 1500400 30.1857 70.1721 -42.9604 70.1721 -11.3063 -25.2233 -42.9605 -25.2234 -6.0533 GPRESSAVG: 1500400 29.8532 74.2439 -42.4111 66.5514 -11.2076 -25.7305 -45.6897 -24.5911 -6.18756 TIMING: 1500400 CPU: 4686.72, 0.00318313/step Wall: 4686.72, 0.00318312/step, 3.09435 hours remaining, 235.855469 MB of memory in use. ENERGY: 1500400 3988.6617 20390.5213 14382.1485 253.4496 -203355.4893 2595.0809 0.0000 0.0000 52029.4513 -109716.1760 299.0140 -161745.6272 -109358.1173 297.8659 -240.1694 -205.6170 762951.4220 4.2754 4.1527 PRESSURE: 1500600 -27.5177 -66.8295 -39.3594 -66.8299 13.877 30.4347 -39.3603 30.4348 145.403 GPRESSURE: 1500600 -14.8744 -39.5626 -72.6648 3.18258 72.6013 -25.6423 117.892 6.98973 139.063 PRESSAVG: 1500600 -7.50989 38.6808 -23.3544 38.6808 -30.1863 -26.6687 -23.3544 -26.6688 -11.7334 GPRESSAVG: 1500600 -6.73605 36.0657 -23.5106 39.2241 -30.7398 -27.2371 -22.002 -26.828 -12.0719 TIMING: 1500600 CPU: 4687.34, 0.0031165/step Wall: 4687.34, 0.0031165/step, 3.02941 hours remaining, 236.058594 MB of memory in use. ENERGY: 1500600 3989.6762 20531.9686 14436.9464 249.9674 -203543.2252 3020.2973 0.0000 0.0000 51797.6314 -109516.7378 297.6817 -161314.3692 -109172.6403 298.2120 43.9209 65.5965 763136.9473 -16.4765 -16.5159 PRESSURE: 1500800 272.915 21.7299 -5.59513 21.7294 -65.0162 53.7843 -5.59519 53.7845 341.896 GPRESSURE: 1500800 210.949 66.0749 -30.3928 -16.5888 106.264 150.176 -3.23199 119.51 351.516 PRESSAVG: 1500800 -17.588 -15.5862 -16.4122 -15.5862 13.1576 -14.8972 -16.4122 -14.8972 -20.4547 GPRESSAVG: 1500800 -18.7234 -15.3976 -17.1457 -12.9914 13.7291 -13.7318 -14.4806 -15.2139 -19.8937 TIMING: 1500800 CPU: 4687.96, 0.00309892/step Wall: 4687.96, 0.00309892/step, 3.01215 hours remaining, 236.058594 MB of memory in use. ENERGY: 1500800 3905.5463 20458.2559 14482.0658 238.3514 -203364.8883 2812.4689 0.0000 0.0000 51975.8044 -109492.3957 298.7057 -161468.2001 -109124.7312 298.4177 183.2649 222.9093 761185.9087 -8.2950 -8.2960 PRESSURE: 1501000 -207.257 19.847 -18.4603 19.8467 -296.589 -67.4186 -18.4596 -67.4195 76.7307 GPRESSURE: 1501000 -144.996 61.4773 -44.2162 27.4174 -171.917 -89.1682 90.746 5.05895 -24.4698 PRESSAVG: 1501000 -26.4101 46.3799 -15.2837 46.38 8.28687 45.5357 -15.2837 45.5357 29.0404 GPRESSAVG: 1501000 -26.259 45.6322 -15.4495 44.8478 9.37317 44.0011 -18.3303 47.6256 27.7622 TIMING: 1501000 CPU: 4688.58, 0.00309162/step Wall: 4688.58, 0.00309161/step, 3.00488 hours remaining, 236.058594 MB of memory in use. ENERGY: 1501000 3967.9987 20363.8613 14366.4019 245.8878 -202842.6680 2385.4111 0.0000 0.0000 51913.4822 -109599.6249 298.3475 -161513.1071 -109242.2319 298.6165 -142.3717 -113.7942 763386.6970 3.6391 3.6255 PRESSURE: 1501200 -45.6495 90.9208 147.191 90.9203 -394.777 -321.137 147.192 -321.137 -207.285 GPRESSURE: 1501200 -19.6508 -68.3836 105.978 2.6251 -416.169 -227.153 -8.94534 -172.019 -149.111 PRESSAVG: 1501200 31.549 -6.05206 -39.3029 -6.05205 -27.5325 60.9273 -39.303 60.9273 -0.924541 GPRESSAVG: 1501200 30.532 -7.62207 -39.173 -5.68185 -28.1001 63.4619 -40.8527 59.1031 0.890432 TIMING: 1501200 CPU: 4689.2, 0.00310931/step Wall: 4689.2, 0.00310931/step, 3.0219 hours remaining, 236.058594 MB of memory in use. ENERGY: 1501200 4019.9742 20575.6416 14437.5346 248.6314 -203393.6911 2597.8903 0.0000 0.0000 51936.6167 -109577.4022 298.4804 -161514.0189 -109226.4186 299.1225 -215.9041 -194.9769 760092.2152 1.0306 1.1075 PRESSURE: 1501400 260.405 -42.8014 62.9652 -42.8005 185.24 134.049 62.9645 134.048 435.693 GPRESSURE: 1501400 279.252 -15.7 108.754 16.3159 279.627 108.516 156.08 179.593 401.997 PRESSAVG: 1501400 11.7623 -4.93349 12.6954 -4.93349 -51.8084 -0.440145 12.6954 -0.440104 -12.6266 GPRESSAVG: 1501400 12.0376 -0.998603 14.3903 -8.2308 -50.5546 -1.3861 12.3133 -0.825923 -14.2028 TIMING: 1501400 CPU: 4689.82, 0.00310948/step Wall: 4689.82, 0.00310948/step, 3.02189 hours remaining, 236.058594 MB of memory in use. ENERGY: 1501400 3935.5925 20575.6828 14336.4452 260.6830 -203740.5806 3190.5123 0.0000 0.0000 51967.2957 -109474.3691 298.6568 -161441.6648 -109113.3740 299.1664 293.7792 320.2916 762669.2020 -17.5576 -17.5733 PRESSURE: 1501600 -88.4564 71.1788 125.839 71.1784 -378.313 -42.0043 125.84 -42.004 65.5815 GPRESSURE: 1501600 30.554 124.785 163.615 130.649 -315.077 -23.3818 112.149 51.4001 -14.6618 PRESSAVG: 1501600 3.61012 4.77994 -49.8826 4.77995 -8.26044 -30.6782 -49.8826 -30.6781 29.0667 GPRESSAVG: 1501600 5.03293 2.03251 -50.7489 11.2468 -8.52828 -29.4084 -47.8116 -31.6547 28.8747 TIMING: 1501600 CPU: 4690.44, 0.00309166/step Wall: 4690.44, 0.00309166/step, 3.00441 hours remaining, 236.058594 MB of memory in use. ENERGY: 1501600 3975.6159 20408.3893 14380.5336 244.6287 -203473.6507 2901.8002 0.0000 0.0000 51956.3708 -109606.3122 298.5940 -161562.6830 -109242.7236 298.4080 -133.7291 -99.7283 761234.5787 8.1388 8.4598 PRESSURE: 1501800 -369.069 -84.015 221.214 -84.0153 -137.832 -117.463 221.214 -117.464 -38.6644 GPRESSURE: 1501800 -307.773 11.9437 198.915 -94.7357 -115.94 -131.025 199.426 -235.023 -20.3234 PRESSAVG: 1501800 50.2941 27.5454 -8.40915 27.5455 -85.2506 -17.4345 -8.40912 -17.4345 -17.78 GPRESSAVG: 1501800 50.9121 28.0893 -9.74683 24.9277 -86.439 -19.0784 -7.98436 -16.8721 -17.3661 TIMING: 1501800 CPU: 4691.06, 0.00310691/step Wall: 4691.06, 0.00310691/step, 3.01906 hours remaining, 236.058594 MB of memory in use. ENERGY: 1501800 4014.9653 20255.3813 14527.7154 255.9842 -203248.4731 2487.4438 0.0000 0.0000 51983.8437 -109723.1393 298.7519 -161706.9831 -109359.7451 298.0322 -181.8551 -148.0124 762330.2379 -17.5788 -17.6310 PRESSURE: 1502000 37.8287 362.689 86.2086 362.69 -68.2256 -36.1473 86.2086 -36.1484 -76.6924 GPRESSURE: 1502000 13.586 254.055 166.867 212.874 -7.92208 -41.3218 95.5595 -82.3393 -23.6 PRESSAVG: 1502000 10.0856 25.9119 36.0384 25.912 29.6611 2.0687 36.0384 2.06869 -16.6534 GPRESSAVG: 1502000 7.28526 26.6326 37.4636 25.0766 32.443 2.45611 38.3463 1.12335 -15.6476 TIMING: 1502000 CPU: 4691.68, 0.00310779/step Wall: 4691.68, 0.00310779/step, 3.01973 hours remaining, 236.058594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1502000 4016.6675 20616.6501 14383.6163 241.2741 -203954.9261 3046.3178 0.0000 0.0000 52000.8459 -109649.5544 298.8496 -161650.4004 -109293.8481 298.4645 -35.6964 -5.9787 762024.8345 7.6978 8.0269 PRESSURE: 1502200 -89.0668 144.902 -16.7442 144.901 -219.663 -169.024 -16.7452 -169.023 99.0045 GPRESSURE: 1502200 -80.2687 45.2034 -27.6102 127.391 -196.456 -174.862 79.8535 -62.3992 144.226 PRESSAVG: 1502200 35.7543 72.5721 43.9549 72.5721 -15.5531 -41.9411 43.9549 -41.941 11.2558 GPRESSAVG: 1502200 37.3157 74.568 43.4443 71.5173 -16.7725 -43.8248 41.9932 -40.9641 10.6235 TIMING: 1502200 CPU: 4692.31, 0.00311401/step Wall: 4692.31, 0.00311401/step, 3.02561 hours remaining, 236.058594 MB of memory in use. ENERGY: 1502200 4062.6333 20480.0173 14407.7032 243.2210 -203458.3946 2646.2410 0.0000 0.0000 51949.0606 -109669.5182 298.5520 -161618.5789 -109308.2741 298.4819 -69.9085 -44.1665 761016.3952 10.4857 10.3889 PRESSURE: 1502400 -73.006 128.768 218.173 128.767 -224.664 -46.8305 218.173 -46.8315 -275.135 GPRESSURE: 1502400 -54.257 56.1074 145.184 147.029 -167.753 62.1703 214.655 -20.4221 -249.102 PRESSAVG: 1502400 15.7901 19.0106 14.1374 19.0105 20.3347 20.6979 14.1374 20.6978 8.35082 GPRESSAVG: 1502400 15.1191 17.4753 14.6946 20.1856 20.9895 22.1283 13.6976 21.94 8.848 TIMING: 1502400 CPU: 4692.93, 0.00310194/step Wall: 4692.93, 0.00310194/step, 3.01371 hours remaining, 236.058594 MB of memory in use. ENERGY: 1502400 4034.4731 20370.5902 14414.9891 243.2432 -203252.6553 2745.1120 0.0000 0.0000 51894.9666 -109549.2811 298.2411 -161444.2477 -109185.7032 298.2072 -190.9352 -157.0373 762285.5997 14.8252 14.9856 PRESSURE: 1502600 9.32207 64.1161 -0.953407 64.1167 -35.5661 -76.3 -0.953848 -76.3003 250.735 GPRESSURE: 1502600 122.917 18.1843 1.16171 131.848 -36.257 -277.617 100.303 25.1068 214.798 PRESSAVG: 1502600 39.6332 67.243 53.0052 67.243 -47.2973 46.5282 53.0052 46.5282 33.8933 GPRESSAVG: 1502600 41.3564 66.4353 54.2381 67.1205 -48.8644 46.2001 51.4807 45.8735 33.8341 TIMING: 1502600 CPU: 4693.55, 0.00310078/step Wall: 4693.55, 0.00310078/step, 3.01241 hours remaining, 236.058594 MB of memory in use. ENERGY: 1502600 3957.6215 20545.8500 14385.7431 249.1247 -203567.7176 2873.5195 0.0000 0.0000 52243.3922 -109312.4666 300.2435 -161555.8588 -108951.9145 298.9930 74.8304 100.4859 761176.1245 8.7431 8.7754 PRESSURE: 1502800 -134.623 151.366 112.327 151.366 -506.258 202.696 112.327 202.696 -15.8845 GPRESSURE: 1502800 -100.206 90.5137 138.495 56.9439 -391.81 77.2646 127.016 306.14 -98.3201 PRESSAVG: 1502800 49.2519 15.8163 47.2785 15.8163 -31.9323 -60.8839 47.2785 -60.8838 19.7661 GPRESSAVG: 1502800 47.5332 15.5226 45.3112 16.0849 -31.5942 -62.6271 48.7566 -59.925 20.7074 TIMING: 1502800 CPU: 4694.17, 0.00309901/step Wall: 4694.17, 0.00309901/step, 3.01051 hours remaining, 236.058594 MB of memory in use. ENERGY: 1502800 4063.5161 20538.1866 14351.2124 271.0050 -203015.3839 2585.1758 0.0000 0.0000 51747.8759 -109458.4120 297.3958 -161206.2879 -109102.5211 299.0335 -218.9218 -196.7785 763306.9213 12.3619 12.2155 PRESSURE: 1503000 63.3748 160.301 81.687 160.301 -533.586 -87.28 81.6873 -87.28 302.413 GPRESSURE: 1503000 21.288 160.116 134.814 113.147 -451.757 -110.449 1.05875 -60.4936 350.701 PRESSAVG: 1503000 75.2097 -44.1105 23.0914 -44.1105 -35.4324 1.84164 23.0913 1.84172 7.80721 GPRESSAVG: 1503000 75.4945 -43.5008 24.1548 -43.9428 -35.6207 3.01533 21.4571 -0.43142 7.0899 TIMING: 1503000 CPU: 4694.79, 0.00311454/step Wall: 4694.79, 0.00311454/step, 3.02543 hours remaining, 236.058594 MB of memory in use. ENERGY: 1503000 3932.5411 20603.3911 14377.5806 269.2545 -203322.0635 2690.5885 0.0000 0.0000 52092.3720 -109356.3357 299.3756 -161448.7078 -109002.8121 299.1350 -55.9328 -26.5894 762759.5770 15.8615 15.6546 PRESSURE: 1503200 227.06 28.7311 275.927 28.7306 -115.309 50.7128 275.927 50.713 441.795 GPRESSURE: 1503200 289.434 10.1847 249.261 -21.1979 -3.24925 140.4 238.951 -50.5842 344.081 PRESSAVG: 1503200 5.82999 -12.5281 91.9322 -12.5281 -43.9873 14.3534 91.9322 14.3534 -9.88667 GPRESSAVG: 1503200 6.55811 -12.9176 90.7513 -12.9564 -43.4743 15.5327 93.1432 13.973 -10.4215 TIMING: 1503200 CPU: 4695.41, 0.00311456/step Wall: 4695.41, 0.00311456/step, 3.02527 hours remaining, 236.058594 MB of memory in use. ENERGY: 1503200 4000.0028 20498.5890 14445.3280 260.7171 -203408.7202 2817.0759 0.0000 0.0000 51968.2169 -109418.7905 298.6621 -161387.0074 -109059.1378 298.8462 184.5155 210.0885 763235.7146 -16.0147 -15.7792 PRESSURE: 1503400 299.56 139.16 -29.6994 139.16 56.5311 7.9063 -29.6994 7.90568 299.174 GPRESSURE: 1503400 313.161 107.883 -21.9849 92.5454 64.9447 -84.7314 -0.130371 46.5055 358.915 PRESSAVG: 1503400 6.89558 13.4648 36.4631 13.4646 -16.828 -34.6834 36.4631 -34.6835 -9.03865 GPRESSAVG: 1503400 6.37124 13.2624 36.5124 14.7402 -16.8206 -34.0953 35.2989 -33.1268 -7.99524 TIMING: 1503400 CPU: 4696.04, 0.00312411/step Wall: 4696.04, 0.00312411/step, 3.03438 hours remaining, 236.058594 MB of memory in use. ENERGY: 1503400 4033.2359 20554.9932 14388.2810 247.2277 -203226.5229 2706.9440 0.0000 0.0000 51744.1935 -109551.6476 297.3746 -161295.8411 -109189.1176 298.4297 218.4217 245.6735 761441.1589 -6.3237 -6.1482 PRESSURE: 1503600 -135.683 85.4368 -7.40222 85.4365 -203.26 179.59 -7.40226 179.59 -182.956 GPRESSURE: 1503600 -46.3084 31.1237 3.16206 106.956 -178.292 197.063 20.8063 49.2801 -193.372 PRESSAVG: 1503600 15.6927 63.9128 10.0736 63.9128 -0.214649 86.6612 10.0735 86.6612 14.8483 GPRESSAVG: 1503600 16.5247 63.7901 10.7876 63.5912 -0.602661 85.7938 11.3353 86.6253 14.1889 TIMING: 1503600 CPU: 4696.66, 0.00311873/step Wall: 4696.66, 0.00311873/step, 3.02898 hours remaining, 236.058594 MB of memory in use. ENERGY: 1503600 4030.2950 20448.9398 14388.1843 240.2462 -203501.6349 2929.6498 0.0000 0.0000 51936.3184 -109528.0014 298.4787 -161464.3198 -109168.2774 298.6144 -173.9664 -139.3241 761989.9890 10.1088 10.0370 PRESSURE: 1503800 -324.935 -249.293 -122.041 -249.292 -21.5843 72.9461 -122.041 72.946 -232.876 GPRESSURE: 1503800 -256.659 -176.351 -125.126 -249.86 8.17246 100.725 -117.501 2.80896 -245.77 PRESSAVG: 1503800 -49.7407 -21.4375 36.0319 -21.4376 9.02113 17.7611 36.0319 17.7612 2.62834 GPRESSAVG: 1503800 -50.2263 -18.7316 38.4164 -22.7079 9.00623 17.1195 35.4355 17.3165 2.94877 TIMING: 1503800 CPU: 4697.28, 0.0031102/step Wall: 4697.28, 0.0031102/step, 3.02053 hours remaining, 236.058594 MB of memory in use. ENERGY: 1503800 3996.3692 20497.2815 14381.4739 226.2923 -203400.6744 2606.4835 0.0000 0.0000 52137.5481 -109555.2260 299.6352 -161692.7740 -109189.0708 298.7356 -193.1317 -164.7521 762905.0767 -12.6971 -12.7571 PRESSURE: 1504000 -403.708 -8.68135 9.74259 -8.68141 -197.679 105.076 9.74249 105.074 -185.598 GPRESSURE: 1504000 -297.922 -103.935 27.5046 136.136 -212.49 127.411 31.989 74.807 -193.318 PRESSAVG: 1504000 -25.0968 13.286 59.205 13.286 16.9372 59.3866 59.2051 59.3866 5.93452 GPRESSAVG: 1504000 -24.0132 10.4555 56.0997 14.3969 17.767 60.2656 59.5745 58.4886 4.43888 TIMING: 1504000 CPU: 4697.91, 0.00311066/step Wall: 4697.91, 0.00311066/step, 3.0208 hours remaining, 236.183594 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: 1504000 3945.3159 20453.9454 14407.2840 258.6901 -203266.8622 2704.2019 0.0000 0.0000 51988.6935 -109508.7315 298.7797 -161497.4249 -109141.9434 298.7510 -262.3281 -234.5768 761735.7383 -0.7417 -0.6025 PRESSURE: 1504200 82.785 -138.829 167.083 -138.83 155.335 20.779 167.082 20.7796 -243.939 GPRESSURE: 1504200 95.792 -247.161 257.736 -183.902 180.827 85.1672 109.587 106.573 -200.649 PRESSAVG: 1504200 -4.0043 22.9506 32.7335 22.9506 -3.75536 30.6322 32.7335 30.6322 -11.3693 GPRESSAVG: 1504200 -5.42623 23.3687 33.9837 21.8787 -3.33744 30.2991 33.2974 30.5712 -11.1148 TIMING: 1504200 CPU: 4698.53, 0.00310724/step Wall: 4698.53, 0.00310724/step, 3.0173 hours remaining, 236.183594 MB of memory in use. ENERGY: 1504200 4055.6059 20525.5717 14305.9451 276.3583 -203564.8629 2862.9626 0.0000 0.0000 52208.3547 -109330.0647 300.0421 -161538.4194 -108968.9227 299.3088 -1.9394 25.3234 762792.3088 -6.3763 -6.6262 LDB: ============= START OF LOAD BALANCING ============== 4711.01 LDB: ============== END OF LOAD BALANCING =============== 4711.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4711.01 LDB: ============= START OF LOAD BALANCING ============== 4711.32 LDB: Largest compute 7052 load 0.029736 is 15.2% of average load 0.195087 LDB: Average compute 0.004379 is 2.2% of average load 0.195087 LDB: TIME 4711.32 LOAD: AVG 0.195087 MAX 0.217779 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.027 MB LDB: TIME 4711.32 LOAD: AVG 0.195087 MAX 0.217779 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.031 MB LDB: TIME 4711.32 LOAD: AVG 0.195087 MAX 0.217673 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.031 MB LDB: ============== END OF LOAD BALANCING =============== 4711.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4711.33 PRESSURE: 1504400 113.671 44.3661 -84.3364 44.3662 -147.225 43.5856 -84.3365 43.5858 132.143 GPRESSURE: 1504400 19.5337 63.1798 -27.653 176.804 -29.1937 -3.79251 -158.823 43.3788 170.62 PRESSAVG: 1504400 -36.4084 23.1096 -1.96166 23.1095 10.1835 60.8436 -1.96169 60.8437 23.163 GPRESSAVG: 1504400 -37.22 21.8094 -0.846489 24.1197 10.3823 61.4026 -3.81051 61.2431 23.271 TIMING: 1504400 CPU: 4699.17, 0.00319529/step Wall: 4699.17, 0.00319529/step, 3.10263 hours remaining, 234.312500 MB of memory in use. ENERGY: 1504400 4043.7220 20534.5133 14442.4792 240.2736 -203376.7384 2808.9449 0.0000 0.0000 52120.3449 -109186.4606 299.5363 -161306.8054 -108827.8598 299.5847 32.8630 53.6533 764758.9174 -1.0206 -1.1889 PRESSURE: 1504600 -119.061 -8.6614 19.3336 -8.66165 -187.835 31.99 19.3344 31.9923 -318.434 GPRESSURE: 1504600 -80.1915 25.8544 8.82195 -91.0719 -200.532 -1.76501 47.4911 -18.3147 -263.055 PRESSAVG: 1504600 53.7036 23.9729 12.8768 23.9728 -55.4707 5.55948 12.8768 5.55946 -2.07035 GPRESSAVG: 1504600 54.5704 24.6315 11.2002 23.5046 -55.759 4.66325 14.3785 6.0056 -2.56432 TIMING: 1504600 CPU: 4699.79, 0.00310068/step Wall: 4699.79, 0.00310068/step, 3.01059 hours remaining, 234.515625 MB of memory in use. ENERGY: 1504600 3947.4539 20583.9171 14442.8916 256.8459 -203166.3019 2681.1943 0.0000 0.0000 52264.6107 -108989.3884 300.3654 -161253.9991 -108621.2671 299.5703 -208.4434 -181.2594 762753.1085 -1.2792 -1.2510 PRESSURE: 1504800 229.642 20.9535 -196.372 20.9543 52.7252 -189.426 -196.372 -189.427 85.133 GPRESSURE: 1504800 266.707 -16.9856 -187.622 -18.8543 25.2959 -155.794 -88.8379 -270.46 164.007 PRESSAVG: 1504800 -10.0224 90.9905 6.6076 90.9905 31.1239 -1.37035 6.60761 -1.37042 15.8238 GPRESSAVG: 1504800 -10.366 90.6249 8.74336 91.1053 30.7283 0.560042 5.03345 -2.33755 16.0471 TIMING: 1504800 CPU: 4700.41, 0.00310969/step Wall: 4700.41, 0.00310969/step, 3.01916 hours remaining, 234.515625 MB of memory in use. ENERGY: 1504800 4016.5732 20581.1560 14444.0334 275.9789 -203053.1858 2736.4735 0.0000 0.0000 52145.6743 -108853.2965 299.6819 -160998.9708 -108491.4347 300.3735 122.4999 152.0033 764617.7214 12.3084 12.1364 PRESSURE: 1505000 -256.093 2.84246 16.1171 2.84181 19.8092 39.79 16.1171 39.7892 -170.011 GPRESSURE: 1505000 -234.589 -14.4171 52.155 -3.9048 12.8317 59.2934 -54.0806 103.541 -102.252 PRESSAVG: 1505000 -34.7453 25.2682 25.1604 25.2683 4.83403 46.4359 25.1604 46.4358 -8.7171 GPRESSAVG: 1505000 -33.91 27.3681 24.4134 26.3659 4.29732 44.2174 26.6933 46.5996 -8.59499 TIMING: 1505000 CPU: 4701.03, 0.00311145/step Wall: 4701.03, 0.00311145/step, 3.0207 hours remaining, 234.515625 MB of memory in use. ENERGY: 1505000 3999.1511 20565.6380 14409.2452 241.7719 -202910.0841 2495.9996 0.0000 0.0000 52090.4949 -109107.7834 299.3648 -161198.2783 -108750.4247 299.9708 -135.4316 -108.0033 762404.7247 -12.8761 -12.7359 PRESSURE: 1505200 -443.789 17.3141 -13.8403 17.3142 160.244 -206.472 -13.8405 -206.471 127.142 GPRESSURE: 1505200 -280.433 -32.3202 8.72434 1.4401 75.674 -142.537 13.0048 -156.44 119.904 PRESSAVG: 1505200 11.3542 10.4291 36.7656 10.4292 12.5906 23.6236 36.7656 23.6236 13.9428 GPRESSAVG: 1505200 10.3917 9.59166 36.2318 9.52492 13.262 24.3135 35.0773 24.5252 14.2993 TIMING: 1505200 CPU: 4701.66, 0.00312416/step Wall: 4701.66, 0.00312416/step, 3.03286 hours remaining, 234.515625 MB of memory in use. ENERGY: 1505200 3912.9761 20483.9289 14461.1478 225.0417 -203062.5012 2560.4862 0.0000 0.0000 52029.0654 -109389.8552 299.0118 -161418.9205 -109022.6196 299.3726 -52.1342 -28.2852 762878.6867 12.6292 12.6510 PRESSURE: 1505400 -458.077 -35.756 198.827 -35.756 -316.989 212.883 198.827 212.882 -34.6853 GPRESSURE: 1505400 -562.112 -100.09 203.209 87.0399 -169.711 191.377 115.262 123.475 17.5307 PRESSAVG: 1505400 3.64641 -0.681195 27.0564 -0.681224 21.3271 2.984 27.0564 2.98393 -25.0893 GPRESSAVG: 1505400 3.4522 -2.52889 27.5725 -0.264812 22.5898 3.36383 28.656 1.96927 -26.3811 TIMING: 1505400 CPU: 4702.28, 0.00311527/step Wall: 4702.28, 0.00311527/step, 3.02406 hours remaining, 234.515625 MB of memory in use. ENERGY: 1505400 3967.8056 20466.6382 14433.5225 253.3409 -203024.6226 2521.5655 0.0000 0.0000 52112.9750 -109268.7749 299.4940 -161381.7499 -108902.0173 299.2584 -269.9171 -238.0977 761651.3229 -0.0386 -0.1130 PRESSURE: 1505600 -24.19 -58.7331 -170.551 -58.7336 28.1063 -41.5181 -170.55 -41.5183 44.0341 GPRESSURE: 1505600 51.5187 -159.545 -267.012 86.4644 34.3007 -20.7132 -191.216 -18.2879 22.1272 PRESSAVG: 1505600 20.1537 -39.7256 19.1124 -39.7256 21.5403 -12.9398 19.1125 -12.9398 -2.40811 GPRESSAVG: 1505600 19.7516 -39.6108 19.2272 -38.4613 20.392 -13.6823 17.9426 -11.9684 -1.19408 TIMING: 1505600 CPU: 4702.91, 0.00313878/step Wall: 4702.91, 0.00313878/step, 3.04671 hours remaining, 234.515625 MB of memory in use. ENERGY: 1505600 3971.2529 20761.1266 14488.7678 230.7820 -203166.9750 2400.0552 0.0000 0.0000 51982.9403 -109332.0501 298.7467 -161314.9904 -108983.8146 299.3609 15.9835 35.9822 763695.6366 13.0953 12.9832 PRESSURE: 1505800 176.401 98.562 28.7569 98.562 -192.518 172.729 28.7565 172.728 232.929 GPRESSURE: 1505800 140.201 -38.8207 98.1034 -38.0161 -38.2278 214.76 35.5032 126.388 189.498 PRESSAVG: 1505800 23.9397 37.9235 8.15502 37.9235 -5.58118 9.12311 8.15496 9.12312 11.1981 GPRESSAVG: 1505800 24.0494 39.9621 7.62514 36.7692 -5.42205 9.63096 7.10509 8.89043 10.5616 TIMING: 1505800 CPU: 4703.53, 0.00311744/step Wall: 4703.53, 0.00311744/step, 3.02582 hours remaining, 234.515625 MB of memory in use. ENERGY: 1505800 3954.4974 20491.3331 14468.9049 253.8969 -203452.0678 2830.8499 0.0000 0.0000 51958.6815 -109493.9041 298.6073 -161452.5855 -109132.2290 299.0548 72.2706 97.1569 761678.0576 9.8522 9.7296 PRESSURE: 1506000 26.678 50.423 -186.286 50.4229 -168.339 -139.205 -186.286 -139.205 98.5614 GPRESSURE: 1506000 29.2116 116.574 -199.604 8.24906 -113.73 -78.6811 -28.3257 -161.714 136.619 PRESSAVG: 1506000 29.5916 -0.292982 -14.5471 -0.292891 -5.82297 52.9602 -14.5471 52.9601 19.1248 GPRESSAVG: 1506000 29.6562 0.499734 -14.2149 -3.27521 -6.91137 52.8557 -11.6646 52.2459 20.459 TIMING: 1506000 CPU: 4704.15, 0.00311741/step Wall: 4704.15, 0.00311741/step, 3.02562 hours remaining, 234.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1506000 3961.3058 20587.8846 14391.4351 249.3152 -203254.5708 2552.7014 0.0000 0.0000 52165.3545 -109346.5742 299.7950 -161511.9287 -108975.7933 299.0047 -14.3665 17.3670 762034.8827 14.2978 14.4013 PRESSURE: 1506200 -130.737 127.568 14.1411 127.568 -207.876 -92.5821 14.1409 -92.5817 -238.112 GPRESSURE: 1506200 -86.0406 169.059 16.0617 73.58 -213.146 -170.66 51.1614 -116.689 -196.254 PRESSAVG: 1506200 23.5377 38.7569 12.3636 38.7568 6.61039 -38.5866 12.3637 -38.5867 28.5322 GPRESSAVG: 1506200 24.4992 37.4739 12.4833 40.8138 7.55166 -39.1208 11.9482 -38.531 26.9701 TIMING: 1506200 CPU: 4704.78, 0.00313065/step Wall: 4704.78, 0.00313065/step, 3.03829 hours remaining, 234.515625 MB of memory in use. ENERGY: 1506200 4055.4631 20598.9832 14385.9742 262.7264 -203317.8191 2567.2167 0.0000 0.0000 52154.8613 -109292.5941 299.7347 -161447.4555 -108926.8360 299.1967 -192.2416 -165.1466 762106.5822 19.5601 19.6737 PRESSURE: 1506400 153.946 -37.7885 148.291 -37.7879 -25.9819 70.7122 148.291 70.7115 -4.86878 GPRESSURE: 1506400 74.7285 33.3972 227.502 -44.0483 200.269 42.1378 20.734 132.025 -66.9396 PRESSAVG: 1506400 -9.3655 17.6868 -7.37528 17.6868 31.8878 -20.8202 -7.37529 -20.8203 -13.8987 GPRESSAVG: 1506400 -11.2613 16.5073 -8.94149 19.4598 33.0667 -22.0703 -7.10931 -19.3252 -13.1118 TIMING: 1506400 CPU: 4705.4, 0.00312804/step Wall: 4705.4, 0.00312804/step, 3.03559 hours remaining, 234.515625 MB of memory in use. ENERGY: 1506400 3909.0646 20704.1857 14477.4518 251.8594 -203187.9552 2526.0675 0.0000 0.0000 51912.3656 -109406.9607 298.3411 -161319.3263 -109039.7651 299.3058 41.0317 69.3527 762732.3843 2.8745 2.8979 PRESSURE: 1506600 -280.674 -65.9489 57.6777 -65.9472 -171.095 -85.8344 57.6783 -85.8354 320.298 GPRESSURE: 1506600 -214.097 33.3782 -22.1354 6.94585 -81.7741 3.76768 34.0107 -135.692 262.619 PRESSAVG: 1506600 4.85733 -0.174205 -5.0919 -0.174179 2.77975 26.4031 -5.09191 26.4031 8.71952 GPRESSAVG: 1506600 5.44347 3.37169 -4.71021 -2.6584 2.23263 29.8758 -8.30086 25.3094 8.85121 TIMING: 1506600 CPU: 4706.03, 0.00311728/step Wall: 4706.03, 0.00311728/step, 3.02497 hours remaining, 234.515625 MB of memory in use. ENERGY: 1506600 4015.7550 20458.1689 14507.1555 256.3567 -203260.4995 2573.3289 0.0000 0.0000 51965.6674 -109484.0671 298.6474 -161449.7345 -109119.5753 298.8408 -43.8237 -11.0843 762192.4437 5.4522 5.5091 PRESSURE: 1506800 -506.044 -69.2665 -220.711 -69.2674 -308.11 185.727 -220.71 185.727 -35.7884 GPRESSURE: 1506800 -447.914 -5.79814 -186.358 -116.566 -349.035 196.907 -192.586 57.5311 6.27266 PRESSAVG: 1506800 -11.0456 33.6323 6.10053 33.6323 -2.7726 -40.7396 6.10055 -40.7396 4.32656 GPRESSAVG: 1506800 -11.3426 29.8977 6.89751 35.0168 -2.02786 -42.9118 8.06086 -40.1099 3.6112 TIMING: 1506800 CPU: 4706.65, 0.0031272/step Wall: 4706.65, 0.0031272/step, 3.03443 hours remaining, 234.515625 MB of memory in use. ENERGY: 1506800 4025.8450 20715.5405 14365.2124 254.4060 -203387.8875 2633.1300 0.0000 0.0000 51925.8217 -109467.9318 298.4184 -161393.7535 -109104.4062 298.4197 -283.3142 -263.5587 763203.9196 -3.1639 -3.2531 PRESSURE: 1507000 276.64 129.945 130.361 129.945 226.636 -52.5588 130.361 -52.5589 24.5202 GPRESSURE: 1507000 262.228 148.447 110.65 174.693 386.738 -21.1167 79.6176 -106.838 -18.8209 PRESSAVG: 1507000 5.84308 -8.05532 -5.52956 -8.05536 9.32862 -11.6654 -5.52951 -11.6654 12.8933 GPRESSAVG: 1507000 6.67843 -7.2752 -4.37266 -8.44266 8.83 -10.5669 -6.76407 -13.8503 12.7319 TIMING: 1507000 CPU: 4707.28, 0.00312342/step Wall: 4707.28, 0.00312342/step, 3.03059 hours remaining, 234.515625 MB of memory in use. ENERGY: 1507000 3985.2228 20502.3005 14460.6608 244.3073 -203653.4571 2912.3592 0.0000 0.0000 52072.9327 -109475.6739 299.2639 -161548.6065 -109113.5377 298.9302 175.9322 210.0482 763016.7088 9.3550 9.4134 PRESSURE: 1507200 -280.878 -15.582 -90.4855 -15.5816 -18.3987 -166.453 -90.4849 -166.454 -284.536 GPRESSURE: 1507200 -258.646 46.5466 -38.4071 -47.9381 9.53211 -140.376 -166.579 -176.344 -251.63 PRESSAVG: 1507200 -28.8667 -50.2816 -32.8476 -50.2816 56.9432 17.712 -32.8476 17.712 18.3582 GPRESSAVG: 1507200 -28.2092 -50.1197 -33.0604 -49.4416 55.7631 18.9345 -31.2009 18.6615 18.8882 TIMING: 1507200 CPU: 4707.9, 0.00311815/step Wall: 4707.9, 0.00311815/step, 3.0253 hours remaining, 234.515625 MB of memory in use. ENERGY: 1507200 3996.5946 20503.0862 14353.0908 256.3287 -203511.1646 2802.2949 0.0000 0.0000 52142.3376 -109457.4317 299.6627 -161599.7694 -109083.0136 298.8913 -194.6042 -166.9148 762950.6328 15.4782 15.4807 PRESSURE: 1507400 -292.141 112.345 -86.9297 112.344 -254.51 -43.7833 -86.9305 -43.7841 -184.117 GPRESSURE: 1507400 -306.07 136.608 -104.118 -39.1932 -185.064 -37.2889 -94.6069 12.4304 -157.805 PRESSAVG: 1507400 31.8581 -10.1567 -22.3865 -10.1566 -20.0682 -68.9633 -22.3865 -68.9633 15.1045 GPRESSAVG: 1507400 31.6974 -9.39185 -23.3435 -9.73667 -19.1643 -69.7797 -22.6917 -69.5791 15.1593 TIMING: 1507400 CPU: 4708.53, 0.00313527/step Wall: 4708.53, 0.00313527/step, 3.04173 hours remaining, 234.515625 MB of memory in use. ENERGY: 1507400 3922.4871 20426.6499 14459.7653 243.6126 -203099.1966 2459.0957 0.0000 0.0000 51996.4641 -109591.1219 298.8244 -161587.5859 -109227.5574 298.9875 -243.5893 -216.3128 761574.7205 8.9648 9.2308 PRESSURE: 1507600 -33.3681 116.027 82.604 116.026 522.502 149.312 82.6032 149.311 65.468 GPRESSURE: 1507600 127.68 111.361 21.8742 205.334 406.454 194.872 132.579 111.497 92.2144 PRESSAVG: 1507600 36.8326 22.475 7.45191 22.475 -44.0551 -61.5739 7.45191 -61.5739 -19.3302 GPRESSAVG: 1507600 37.0107 21.2729 7.51778 20.9674 -44.9025 -61.635 6.06567 -60.5953 -18.963 TIMING: 1507600 CPU: 4709.15, 0.00311823/step Wall: 4709.15, 0.00311823/step, 3.02503 hours remaining, 234.515625 MB of memory in use. ENERGY: 1507600 3962.8919 20351.7182 14419.2123 263.0295 -203478.5895 2953.7484 0.0000 0.0000 52102.4958 -109425.4933 299.4338 -161527.9892 -109065.6957 298.6541 184.8672 208.7829 761704.0603 -8.8509 -8.9516 PRESSURE: 1507800 273.408 -69.6201 326.742 -69.6193 158.024 -11.2542 326.742 -11.2548 9.34816 GPRESSURE: 1507800 346.251 -122.678 247.22 0.270386 180.547 -92.2136 239.67 41.122 -17.075 PRESSAVG: 1507800 -15.3251 -21.4187 11.5756 -21.4187 13.9189 12.6374 11.5756 12.6374 -9.31353 GPRESSAVG: 1507800 -14.8277 -19.7034 10.3569 -20.549 13.7259 11.9727 10.9759 13.5579 -10.1818 TIMING: 1507800 CPU: 4709.78, 0.00312727/step Wall: 4709.78, 0.00312727/step, 3.03362 hours remaining, 234.515625 MB of memory in use. ENERGY: 1507800 3885.3196 20555.6550 14438.8332 256.8418 -203088.8312 2654.8376 0.0000 0.0000 51788.7470 -109508.5970 297.6306 -161297.3440 -109140.9261 298.5484 146.9270 169.9078 761838.1072 -3.5732 -3.7612 PRESSURE: 1508000 -323.037 187.077 279.626 187.077 -506.922 -125.181 279.625 -125.181 -446.315 GPRESSURE: 1508000 -315.437 154.532 247.121 186.28 -437.384 -15.6241 109.939 -247.428 -460.065 PRESSAVG: 1508000 41.1557 -8.3241 26.1299 -8.32405 -18.4242 -27.8968 26.1299 -27.8968 8.69868 GPRESSAVG: 1508000 40.8375 -8.19969 27.1216 -8.16932 -18.2843 -26.5249 27.1264 -28.5826 8.92061 TIMING: 1508000 CPU: 4710.4, 0.00312555/step Wall: 4710.4, 0.00312555/step, 3.03179 hours remaining, 234.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1508000 4028.0746 20426.9703 14453.0612 232.6927 -203178.7783 2620.7900 0.0000 0.0000 51979.6074 -109437.5821 298.7275 -161417.1895 -109078.9341 298.6621 -425.4246 -404.2953 764782.2101 10.4767 10.4913 PRESSURE: 1508200 -394.747 61.3154 -58.6933 61.3146 -726.816 -70.251 -58.6938 -70.2507 -424.16 GPRESSURE: 1508200 -322.237 99.2934 17.8076 -3.32015 -683.866 -111.865 35.9482 -20.3594 -459.62 PRESSAVG: 1508200 12.2546 -29.4726 18.7371 -29.4725 -80.0828 33.8853 18.7371 33.8854 0.683698 GPRESSAVG: 1508200 11.5291 -30.2721 19.3163 -30.5791 -78.5577 32.2875 20.8969 32.2609 -0.353152 TIMING: 1508200 CPU: 4711.03, 0.00313489/step Wall: 4711.03, 0.00313489/step, 3.04067 hours remaining, 234.515625 MB of memory in use. ENERGY: 1508200 4043.4362 20444.0171 14429.3941 254.0825 -202670.1277 2381.8160 0.0000 0.0000 51807.6838 -109309.6980 297.7395 -161117.3818 -108958.6366 298.6653 -515.2411 -488.5741 764859.6101 -22.3815 -22.4606 LDB: ============= START OF LOAD BALANCING ============== 4723.51 LDB: ============== END OF LOAD BALANCING =============== 4723.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4723.51 LDB: ============= START OF LOAD BALANCING ============== 4723.83 LDB: Largest compute 7052 load 0.029929 is 15.3% of average load 0.194983 LDB: Average compute 0.004374 is 2.2% of average load 0.194983 LDB: TIME 4723.83 LOAD: AVG 0.194983 MAX 0.216316 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.023 MB LDB: TIME 4723.83 LOAD: AVG 0.194983 MAX 0.216316 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.027 MB LDB: TIME 4723.83 LOAD: AVG 0.194983 MAX 0.216316 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.027 MB LDB: ============== END OF LOAD BALANCING =============== 4723.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4723.84 PRESSURE: 1508400 -284.216 -123.389 -145.437 -123.389 58.9045 -46.3013 -145.437 -46.302 426.443 GPRESSURE: 1508400 -265.883 -65.3512 -88.5929 -160.558 121.555 -84.5655 -185.241 -13.4339 413.705 PRESSAVG: 1508400 -9.74406 16.5228 21.8365 16.5228 -45.9174 53.4945 21.8365 53.4945 -13.7581 GPRESSAVG: 1508400 -9.72605 17.3621 21.6351 16.8939 -46.6801 54.3517 21.5955 55.527 -12.419 TIMING: 1508400 CPU: 4711.67, 0.00319994/step Wall: 4711.67, 0.00319994/step, 3.10359 hours remaining, 235.535156 MB of memory in use. ENERGY: 1508400 4005.5739 20386.7986 14469.7122 236.3642 -203281.5916 2863.3472 0.0000 0.0000 52077.0085 -109242.7871 299.2873 -161319.7956 -108887.0841 298.7080 67.0437 89.7922 762297.9666 -23.1399 -22.9417 PRESSURE: 1508600 -217.317 -165.938 -163.04 -165.939 -290.587 -14.9205 -163.04 -14.9194 269.488 GPRESSURE: 1508600 -265.053 -129.292 -182.644 -242.489 -177.429 -36.1624 -45.3464 -56.6969 275.618 PRESSAVG: 1508600 -50.5305 -51.0884 31.6024 -51.0884 83.639 30.2179 31.6024 30.2179 34.0934 GPRESSAVG: 1508600 -51.3226 -53.2225 30.1174 -50.193 84.2422 29.823 30.9991 28.5502 34.9988 TIMING: 1508600 CPU: 4712.3, 0.00313574/step Wall: 4712.3, 0.00313574/step, 3.04114 hours remaining, 235.734375 MB of memory in use. ENERGY: 1508600 3975.4443 20331.3675 14513.2085 277.1113 -202607.4292 2356.7287 0.0000 0.0000 51940.6650 -109212.9039 298.5037 -161153.5690 -108840.4873 299.1821 -79.4720 -55.6213 763703.5569 22.4006 22.6395 PRESSURE: 1508800 123.886 -16.7301 37.619 -16.7295 321.52 -132.69 37.6184 -132.692 77.4831 GPRESSURE: 1508800 85.2718 -32.6932 105.214 -27.0286 444.32 -61.9902 71.1979 -49.573 71.5566 PRESSAVG: 1508800 13.9553 -37.5771 4.66838 -37.5771 11.0545 -0.694254 4.66837 -0.694274 7.24792 GPRESSAVG: 1508800 14.3896 -37.1801 5.32463 -37.058 11.2004 0.49192 4.13306 2.20386 6.46626 TIMING: 1508800 CPU: 4712.92, 0.00311275/step Wall: 4712.92, 0.00311275/step, 3.01868 hours remaining, 235.734375 MB of memory in use. ENERGY: 1508800 3960.9848 20515.1054 14400.3640 245.8701 -203663.8491 3089.1861 0.0000 0.0000 52392.2901 -109060.0485 301.0992 -161452.3386 -108693.1871 299.3723 174.2966 200.3828 759738.7994 10.7525 10.6854 PRESSURE: 1509000 -189.954 -55.8271 -193.795 -55.8272 262.5 -90.6464 -193.795 -90.647 64.1218 GPRESSURE: 1509000 -88.973 -7.72756 -172.948 -89.006 249.816 -97.3499 -150.472 -46.9895 62.3875 PRESSAVG: 1509000 10.6116 9.67616 -18.323 9.67617 -3.96009 -40.775 -18.3229 -40.775 6.29707 GPRESSAVG: 1509000 10.7379 10.1881 -18.383 6.36747 -3.95332 -42.9224 -17.5899 -39.547 6.39744 TIMING: 1509000 CPU: 4713.54, 0.00311087/step Wall: 4713.54, 0.00311087/step, 3.01668 hours remaining, 235.734375 MB of memory in use. ENERGY: 1509000 3950.4378 20513.7265 14388.5098 241.4488 -203057.7090 2665.1979 0.0000 0.0000 52297.1979 -109001.1902 300.5527 -161298.3881 -108644.4566 299.2676 45.5561 74.4101 761760.6038 4.3162 4.3940 PRESSURE: 1509200 -64.4295 -77.0521 8.24112 -77.0523 119.735 -28.1234 8.24089 -28.1231 93.6624 GPRESSURE: 1509200 -7.76049 -38.5135 14.155 -51.5611 122.796 4.70234 10.7912 -93.6225 108.279 PRESSAVG: 1509200 9.46007 -21.5938 -22.0391 -21.5937 -39.2889 -6.15103 -22.0392 -6.15107 -7.22375 GPRESSAVG: 1509200 8.99756 -22.8015 -22.8862 -20.2774 -39.0756 -6.33539 -21.6151 -8.92336 -6.59428 TIMING: 1509200 CPU: 4714.16, 0.00310942/step Wall: 4714.16, 0.00310942/step, 3.0151 hours remaining, 235.734375 MB of memory in use. ENERGY: 1509200 3927.3102 20621.8595 14389.6765 255.5781 -202796.9097 2546.6947 0.0000 0.0000 51986.9795 -109068.8112 298.7699 -161055.7907 -108703.2986 299.4939 49.6558 74.4384 764294.4397 -12.3509 -12.2241 PRESSURE: 1509400 289.991 -320.078 -131.104 -320.079 405.766 197.752 -131.103 197.751 421.552 GPRESSURE: 1509400 336.526 -275.861 -107.858 -218.582 447.069 153.65 -92.0955 216.249 418.527 PRESSAVG: 1509400 -39.7247 -27.6086 6.99939 -27.6086 10.9262 -43.0926 6.99935 -43.0925 3.90148 GPRESSAVG: 1509400 -39.728 -26.5105 6.34968 -27.8077 11.0311 -42.7286 7.05731 -41.7707 4.15267 TIMING: 1509400 CPU: 4714.79, 0.0031156/step Wall: 4714.79, 0.0031156/step, 3.02092 hours remaining, 235.734375 MB of memory in use. ENERGY: 1509400 4008.4326 20405.3764 14516.3002 250.3973 -203669.1814 3169.8136 0.0000 0.0000 51970.9061 -109347.9552 298.6775 -161318.8613 -108982.1861 299.4167 372.4361 400.7073 761344.7625 -8.2990 -8.1814 PRESSURE: 1509600 -626.184 -36.6113 -45.761 -36.6117 -120.069 86.1334 -45.7617 86.1313 -39.5155 GPRESSURE: 1509600 -595.76 -57.5411 12.8591 -72.1401 -114.011 62.122 -86.2107 111.03 -3.81022 PRESSAVG: 1509600 -11.4163 5.27317 21.6625 5.2732 48.0644 -27.2892 21.6625 -27.2892 -1.74272 GPRESSAVG: 1509600 -12.3077 4.89943 22.8859 6.60525 48.4286 -26.652 22.1249 -28.3825 -1.11678 TIMING: 1509600 CPU: 4715.41, 0.00312003/step Wall: 4715.41, 0.00312003/step, 3.02504 hours remaining, 235.734375 MB of memory in use. ENERGY: 1509600 4016.4439 20355.2985 14453.0871 239.8014 -203319.2838 2738.6000 0.0000 0.0000 52150.3649 -109365.6880 299.7089 -161516.0529 -109015.8779 298.6027 -261.9228 -237.8606 762814.3279 11.6351 11.6681 PRESSURE: 1509800 74.4884 122.256 85.1276 122.256 197.233 -128.824 85.1275 -128.825 262.927 GPRESSURE: 1509800 85.9785 222.784 26.5144 63.2567 167.856 -155.015 17.5643 -93.3571 352.804 PRESSAVG: 1509800 -76.6161 63.4007 -47.6023 63.4007 34.6099 -5.9248 -47.6023 -5.92476 24.9275 GPRESSAVG: 1509800 -75.4938 63.6208 -48.2956 63.9029 34.4988 -6.94559 -49.0748 -6.64835 23.9721 TIMING: 1509800 CPU: 4716.04, 0.00312052/step Wall: 4716.04, 0.00312052/step, 3.02535 hours remaining, 235.734375 MB of memory in use. ENERGY: 1509800 3979.7917 20393.0736 14441.1343 239.7022 -203599.4537 3216.3784 0.0000 0.0000 52224.5250 -109104.8487 300.1351 -161329.3737 -108742.4611 298.7781 178.2161 202.2128 762961.7517 -5.6929 -5.6743 PRESSURE: 1510000 -202.163 -9.7116 -257.521 -9.71093 -18.6383 -74.5742 -257.522 -74.5737 237.826 GPRESSURE: 1510000 -212.762 25.3351 -141.81 14.6643 101.165 -75.9727 -82.9013 -133.214 211.092 PRESSAVG: 1510000 -61.3849 37.7704 32.615 37.7704 28.0943 -21.4302 32.615 -21.4302 -7.63488 GPRESSAVG: 1510000 -60.421 38.4592 33.8567 36.5042 26.406 -19.7669 34.252 -21.6006 -7.04594 TIMING: 1510000 CPU: 4716.66, 0.00310882/step Wall: 4716.66, 0.00310882/step, 3.01382 hours remaining, 235.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1510000 3995.3414 20466.5950 14465.0971 243.3185 -203538.0172 3086.3632 0.0000 0.0000 51984.3375 -109296.9646 298.7547 -161281.3020 -108946.6748 298.9970 5.6748 33.1651 763573.3972 -13.6418 -13.6870 PRESSURE: 1510200 -384.278 47.8132 56.0423 47.8132 -236.776 -97.1818 56.0417 -97.181 185.662 GPRESSURE: 1510200 -236.162 21.0022 122.648 111.18 -217.469 -111.322 17.9607 -64.2784 130.079 PRESSAVG: 1510200 -44.5419 -19.4647 1.49938 -19.4646 43.9435 -54.5205 1.49938 -54.5204 19.9134 GPRESSAVG: 1510200 -44.6145 -20.5231 1.72909 -19.5252 44.3572 -55.7127 0.760639 -52.7527 20.129 TIMING: 1510200 CPU: 4717.28, 0.00311015/step Wall: 4717.28, 0.00311015/step, 3.01495 hours remaining, 235.734375 MB of memory in use. ENERGY: 1510200 4001.3900 20459.8559 14556.8223 256.6657 -203444.5945 2784.7739 0.0000 0.0000 52006.7550 -109378.3317 298.8835 -161385.0868 -109011.7645 299.2946 -145.1309 -107.8505 762435.9794 6.4383 6.6239 PRESSURE: 1510400 -213.038 -32.1193 -215.939 -32.1194 -176.147 -81.016 -215.937 -81.0161 7.63662 GPRESSURE: 1510400 -115.569 -46.8558 -247.996 -89.9947 -201.093 -114.468 -143.244 -69.8464 16.6711 PRESSAVG: 1510400 -20.4985 -0.652715 17.5013 -0.652751 35.1654 -2.73388 17.5012 -2.73385 -20.2997 GPRESSAVG: 1510400 -21.1527 -1.02254 17.1958 -0.190395 35.5423 -2.42406 16.4584 -3.07969 -20.0864 TIMING: 1510400 CPU: 4717.9, 0.00311551/step Wall: 4717.9, 0.00311551/step, 3.01997 hours remaining, 235.734375 MB of memory in use. ENERGY: 1510400 3879.0747 20560.2167 14467.0519 263.0491 -202989.2205 2609.5875 0.0000 0.0000 51727.3280 -109482.9126 297.2777 -161210.2406 -109123.2106 298.6474 -127.1826 -99.9972 762323.6489 -1.8776 -1.8989 PRESSURE: 1510600 59.604 149.222 181.582 149.222 -107.11 -0.535875 181.583 -0.536361 50.949 GPRESSURE: 1510600 4.96802 196.186 230.205 216.178 14.7465 36.5247 129.791 97.2428 72.7016 PRESSAVG: 1510600 -7.04413 31.589 -21.7555 31.589 -12.2231 28.9486 -21.7554 28.9486 12.6219 GPRESSAVG: 1510600 -7.15189 34.4467 -21.586 30.7501 -12.253 27.2656 -23.0282 28.6644 12.4366 TIMING: 1510600 CPU: 4718.53, 0.00312123/step Wall: 4718.53, 0.00312123/step, 3.02534 hours remaining, 235.734375 MB of memory in use. ENERGY: 1510600 3972.0290 20511.2671 14467.8632 256.5547 -202991.3384 2563.4602 0.0000 0.0000 51857.1090 -109363.0552 298.0235 -161220.1643 -108999.6161 298.3850 1.1478 30.8054 762438.7797 -2.2151 -2.3228 PRESSURE: 1510800 -8.54378 72.4809 -137.559 72.4806 -110.643 -174.639 -137.56 -174.638 -205.659 GPRESSURE: 1510800 -75.9753 71.9635 -116.011 -23.9403 -1.2421 -252.478 -112.391 -165.715 -167.701 PRESSAVG: 1510800 56.5314 -13.1551 -1.79805 -13.1551 -14.218 38.5074 -1.79811 38.5074 -14.606 GPRESSAVG: 1510800 56.2438 -15.1186 -0.41408 -10.2207 -12.3418 40.9152 -1.24458 38.4792 -16.264 TIMING: 1510800 CPU: 4719.15, 0.00311026/step Wall: 4719.15, 0.00311026/step, 3.01453 hours remaining, 235.734375 MB of memory in use. ENERGY: 1510800 3992.4336 20380.2845 14441.5881 246.5790 -203149.3228 2819.0397 0.0000 0.0000 51860.6938 -109408.7041 298.0441 -161269.3979 -109037.9059 298.7635 -108.2820 -81.6395 763342.2917 9.2358 9.2127 PRESSURE: 1511000 23.1671 -18.9506 102.308 -18.9503 77.2347 141.137 102.31 141.138 -283.405 GPRESSURE: 1511000 88.9014 -51.4967 22.8285 -61.745 51.7048 106.092 80.9923 157.024 -248.296 PRESSAVG: 1511000 23.623 27.6376 -38.7678 27.6376 -19.4983 13.4205 -38.7678 13.4205 -2.81249 GPRESSAVG: 1511000 24.6567 28.4829 -41.0101 23.746 -21.7438 13.1553 -38.7016 12.1006 -2.04218 TIMING: 1511000 CPU: 4719.77, 0.00310586/step Wall: 4719.77, 0.00310586/step, 3.0101 hours remaining, 235.734375 MB of memory in use. ENERGY: 1511000 3965.2922 20431.7478 14448.0845 238.2560 -203496.7744 2909.2505 0.0000 0.0000 51938.3102 -109565.8332 298.4902 -161504.1434 -109203.2669 297.9556 -61.0011 -35.8965 763618.5591 0.4374 0.2903 PRESSURE: 1511200 163.648 -215.156 122.595 -215.156 -84.5791 -31.5172 122.595 -31.5176 123.631 GPRESSURE: 1511200 219.356 -171.299 187.755 -296.256 40.6711 40.6314 156.784 -66.6298 16.9611 PRESSAVG: 1511200 15.9339 -4.13411 23.6428 -4.13408 4.35742 -5.03798 23.6428 -5.03802 7.27974 GPRESSAVG: 1511200 17.0038 -4.15921 23.7166 -1.48006 5.24564 -5.10167 25.1242 -2.92207 5.70831 TIMING: 1511200 CPU: 4720.39, 0.00311818/step Wall: 4720.39, 0.00311818/step, 3.02187 hours remaining, 235.734375 MB of memory in use. ENERGY: 1511200 3944.5877 20425.1319 14472.1405 237.0212 -203711.6495 3067.2553 0.0000 0.0000 52081.9580 -109483.5549 299.3157 -161565.5129 -109114.6420 298.5943 67.5666 92.3292 761371.7964 9.1904 9.3192 PRESSURE: 1511400 -204.764 64.0858 193.437 64.0851 -94.8605 -136.872 193.437 -136.872 159.014 GPRESSURE: 1511400 -190.124 27.8428 204.433 45.4254 -65.6019 -161.789 195.569 -11.9088 185.467 PRESSAVG: 1511400 20.328 -2.84183 -24.8911 -2.84193 -3.77043 -7.3627 -24.8912 -7.36275 -8.22201 GPRESSAVG: 1511400 19.7192 -2.71638 -25.127 -3.8395 -4.56044 -7.61957 -23.2316 -8.06454 -7.11109 TIMING: 1511400 CPU: 4721.02, 0.00311335/step Wall: 4721.02, 0.00311335/step, 3.01701 hours remaining, 235.734375 MB of memory in use. ENERGY: 1511400 4024.3932 20381.3834 14428.5624 259.8753 -203247.5292 2711.2563 0.0000 0.0000 52059.7017 -109382.3569 299.1878 -161442.0586 -109022.4830 298.8932 -46.8702 -23.4197 761434.2509 2.7785 2.6826 PRESSURE: 1511600 3.91663 15.3703 80.6336 15.3698 -42.5489 -23.2162 80.6335 -23.2162 36.283 GPRESSURE: 1511600 10.556 43.2102 -29.8088 -46.3896 25.0697 -0.462508 43.0926 -1.46026 48.2562 PRESSAVG: 1511600 49.6919 19.7346 -20.3605 19.7346 -7.07853 9.40164 -20.3605 9.40167 -4.95941 GPRESSAVG: 1511600 47.8614 17.4209 -18.6167 20.2601 -5.95965 6.65164 -23.757 12.4879 -4.59391 TIMING: 1511600 CPU: 4721.64, 0.00311649/step Wall: 4721.64, 0.00311649/step, 3.01987 hours remaining, 235.734375 MB of memory in use. ENERGY: 1511600 3953.4366 20512.0550 14365.4658 242.9133 -203286.5060 2849.7151 0.0000 0.0000 51880.4691 -109482.4511 298.1578 -161362.9203 -109127.1959 298.6378 -0.7831 27.9606 761680.1081 12.5513 12.4359 PRESSURE: 1511800 -195.585 194.247 -262.828 194.247 30.7038 7.76358 -262.828 7.76421 71.1576 GPRESSURE: 1511800 -81.551 193.543 -245.962 182.265 18.1229 102.465 -319.981 -133.823 56.2189 PRESSAVG: 1511800 -25.4966 50.6464 -16.1195 50.6464 -12.4064 -8.73051 -16.1195 -8.73059 -0.38791 GPRESSAVG: 1511800 -24.9262 51.6627 -17.4964 50.142 -12.9244 -5.57163 -15.1738 -12.1 -0.7692 TIMING: 1511800 CPU: 4722.26, 0.00311453/step Wall: 4722.26, 0.00311453/step, 3.0178 hours remaining, 235.734375 MB of memory in use. ENERGY: 1511800 3966.0296 20577.4806 14451.1636 243.2386 -203396.9277 2800.7719 0.0000 0.0000 52040.2878 -109317.9556 299.0762 -161358.2434 -108955.2336 298.8868 -31.2411 -2.4031 763333.9771 -12.7636 -12.8733 PRESSURE: 1512000 -95.878 114.243 -0.264178 114.244 114.289 110.684 -0.263102 110.683 -71.5783 GPRESSURE: 1512000 -83.7582 188.312 -24.8438 -25.2345 201.681 168.125 38.8706 155.045 -103.026 PRESSAVG: 1512000 -38.222 53.0182 -83.6544 53.0182 32.9379 13.4488 -83.6544 13.4487 9.66378 GPRESSAVG: 1512000 -38.03 52.7372 -82.7653 51.0495 32.2067 11.7444 -84.605 14.5613 10.1898 TIMING: 1512000 CPU: 4722.88, 0.0031085/step Wall: 4722.88, 0.0031085/step, 3.0118 hours remaining, 235.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1512000 4019.9648 20588.1075 14360.1176 269.3766 -203221.2754 2717.0479 0.0000 0.0000 52126.8737 -109139.7872 299.5739 -161266.6609 -108774.8560 299.5292 -17.7223 4.9654 761954.3752 1.4599 1.4555 PRESSURE: 1512200 -255.425 -97.1139 24.5371 -97.1133 -341.463 -57.6582 24.5374 -57.6586 -21.0997 GPRESSURE: 1512200 -146.909 -145.478 177.685 -76.11 -287.856 -45.4324 -36.6337 -32.8147 -72.0721 PRESSAVG: 1512200 -40.1683 -13.0517 13.5606 -13.0517 32.5765 15.4761 13.5606 15.4761 -1.59096 GPRESSAVG: 1512200 -39.0983 -11.417 11.9778 -10.9255 33.087 15.6924 12.6896 15.9812 -3.16694 TIMING: 1512200 CPU: 4723.51, 0.00312312/step Wall: 4723.51, 0.00312312/step, 3.02578 hours remaining, 235.734375 MB of memory in use. ENERGY: 1512200 3947.3894 20634.6052 14438.8879 254.4449 -202695.6730 2514.1765 0.0000 0.0000 51864.2651 -109041.9041 298.0646 -160906.1692 -108690.8491 299.5164 -205.9957 -168.9456 763853.3832 -3.0609 -3.0594 LDB: ============= START OF LOAD BALANCING ============== 4735.98 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4735.99 LDB: =============== DONE WITH MIGRATION ================ 4735.99 LDB: ============= START OF LOAD BALANCING ============== 4736.3 LDB: Largest compute 7052 load 0.030406 is 15.6% of average load 0.195093 LDB: Average compute 0.004385 is 2.2% of average load 0.195093 LDB: TIME 4736.3 LOAD: AVG 0.195093 MAX 0.214969 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.594 MB LDB: TIME 4736.3 LOAD: AVG 0.195093 MAX 0.214969 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.66 MB LDB: TIME 4736.3 LOAD: AVG 0.195093 MAX 0.214969 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.66 MB LDB: ============== END OF LOAD BALANCING =============== 4736.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4736.31 PRESSURE: 1512400 -119.328 165.14 -186.695 165.138 -188.119 195.375 -186.696 195.375 -28.7943 GPRESSURE: 1512400 -150.064 198.159 -219.845 203.46 -163.883 170.1 -17.8724 105.04 56.9525 PRESSAVG: 1512400 22.2462 61.3879 10.9777 61.3879 -7.32509 29.4075 10.9778 29.4075 -1.27237 GPRESSAVG: 1512400 21.2065 60.9733 10.9443 60.5978 -7.3829 28.9141 13.0352 27.9967 0.234408 TIMING: 1512400 CPU: 4724.14, 0.00317064/step Wall: 4724.14, 0.00317064/step, 3.07165 hours remaining, 234.824219 MB of memory in use. ENERGY: 1512400 4026.6457 20457.5934 14413.8264 259.0232 -202645.0610 2270.7141 0.0000 0.0000 52155.7215 -109061.5367 299.7396 -161217.2582 -108693.3313 299.6318 -112.0806 -85.6646 763543.1722 4.5496 4.6860 PRESSURE: 1512600 57.6916 28.7129 12.4412 28.7132 19.2166 -24.79 12.4409 -24.7903 289.417 GPRESSURE: 1512600 65.0918 50.9871 62.1295 49.47 118.717 16.9455 -47.573 6.28992 261.785 PRESSAVG: 1512600 13.8172 8.18325 -18.9524 8.18326 2.42116 23.5246 -18.9524 23.5247 4.04598 GPRESSAVG: 1512600 14.7709 6.77044 -18.5344 11.3963 1.43991 25.5035 -18.6563 23.0582 3.62657 TIMING: 1512600 CPU: 4724.77, 0.00313543/step Wall: 4724.77, 0.00313543/step, 3.03736 hours remaining, 234.824219 MB of memory in use. ENERGY: 1512600 4026.5198 20497.7064 14447.7158 232.2609 -203220.2187 2808.9084 0.0000 0.0000 52066.8276 -109140.2798 299.2288 -161207.1074 -108778.1635 299.6987 122.1086 148.5312 761941.6255 6.7615 6.6125 PRESSURE: 1512800 282.816 38.2566 -159.629 38.2576 -32.1583 -75.7451 -159.629 -75.7454 -106.805 GPRESSURE: 1512800 300.494 -29.416 -203.788 -46.4837 -16.727 -75.0292 -63.0026 22.6663 -50.594 PRESSAVG: 1512800 -1.79344 55.6418 -20.9164 55.6418 42.5408 13.984 -20.9164 13.984 -7.57312 GPRESSAVG: 1512800 -3.05881 55.783 -21.9529 54.2709 43.4858 12.873 -20.3198 14.1004 -7.45755 TIMING: 1512800 CPU: 4725.39, 0.00311018/step Wall: 4725.39, 0.00311018/step, 3.01273 hours remaining, 234.824219 MB of memory in use. ENERGY: 1512800 4051.8056 20569.0239 14365.2894 244.2310 -203180.2066 2959.4789 0.0000 0.0000 52046.1138 -108944.2639 299.1097 -160990.3777 -108586.5428 299.8276 47.9511 77.7242 761681.6558 11.0581 10.9898 PRESSURE: 1513000 192.568 -16.1936 -12.8236 -16.1929 -31.5853 -67.228 -12.824 -67.2279 220.009 GPRESSURE: 1513000 230.981 4.38487 -27.344 5.31727 9.20492 -145.503 16.0536 50.677 246.832 PRESSAVG: 1513000 38.9441 66.9775 -5.33625 66.9776 -44.543 14.2638 -5.33626 14.2639 17.0974 GPRESSAVG: 1513000 39.963 69.6185 -3.89058 66.2488 -44.7355 14.2782 -6.69524 16.0192 16.2523 TIMING: 1513000 CPU: 4726.01, 0.00311145/step Wall: 4726.01, 0.00311145/step, 3.01379 hours remaining, 234.824219 MB of memory in use. ENERGY: 1513000 4006.3565 20503.2316 14397.0459 235.5031 -203492.7471 3066.7436 0.0000 0.0000 52322.4809 -108961.3855 300.6980 -161283.8664 -108591.0126 299.9489 126.9972 162.3394 761293.5429 3.8328 3.8266 PRESSURE: 1513200 -337.782 -136.951 -115.879 -136.951 129.456 148.025 -115.878 148.025 48.3896 GPRESSURE: 1513200 -206.396 -87.4799 -179.059 -147.613 116.662 184.657 -41.1546 -80.0269 21.4299 PRESSAVG: 1513200 49.7787 40.9869 21.4101 40.9869 -61.8553 -3.73244 21.4101 -3.73243 -12.4084 GPRESSAVG: 1513200 49.1619 38.7443 19.6805 42.8297 -61.6806 -2.18271 21.7816 -5.39323 -11.9876 TIMING: 1513200 CPU: 4726.64, 0.00312208/step Wall: 4726.64, 0.00312208/step, 3.02391 hours remaining, 234.824219 MB of memory in use. ENERGY: 1513200 3993.0188 20484.3016 14354.0663 258.1196 -203231.5716 2666.4106 0.0000 0.0000 52247.5058 -109228.1491 300.2671 -161475.6548 -108866.3222 299.9249 -53.3121 -22.7682 762480.2428 -8.1617 -8.1688 PRESSURE: 1513400 186.943 84.1731 26.4148 84.1729 -280.067 4.01737 26.415 4.01748 48.2708 GPRESSURE: 1513400 136.925 173.168 -10.9867 199.221 -169.734 -0.581178 -131.218 43.7355 50.5528 PRESSAVG: 1513400 20.1706 -9.06988 -0.0572305 -9.0699 -7.313 -11.6581 -0.0572442 -11.658 10.5496 GPRESSAVG: 1513400 19.7848 -7.68297 1.23707 -9.39677 -6.94187 -11.3214 -0.466664 -12.375 10.2053 TIMING: 1513400 CPU: 4727.26, 0.00310632/step Wall: 4727.26, 0.00310632/step, 3.00847 hours remaining, 234.824219 MB of memory in use. ENERGY: 1513400 4010.4962 20322.2775 14425.2098 262.8370 -203390.4752 2794.2963 0.0000 0.0000 52209.2451 -109366.1133 300.0472 -161575.3584 -108995.3528 299.7283 -14.9509 5.9145 760633.4488 7.8024 7.6828 PRESSURE: 1513600 153.946 -150.471 60.5406 -150.47 -96.9338 56.5435 60.5398 56.5437 -255.838 GPRESSURE: 1513600 123.526 -88.2612 -22.3228 -101.146 -48.7085 -7.19859 -160.972 44.0583 -191.386 PRESSAVG: 1513600 -69.8482 59.6211 8.71152 59.6211 59.5152 3.95119 8.71145 3.95122 8.40772 GPRESSAVG: 1513600 -71.7191 60.1159 9.2972 59.5049 60.138 1.56229 7.00755 4.21554 9.15516 TIMING: 1513600 CPU: 4727.88, 0.00311158/step Wall: 4727.88, 0.00311158/step, 3.01339 hours remaining, 234.824219 MB of memory in use. ENERGY: 1513600 4024.3146 20402.9137 14420.2571 243.7246 -202866.7923 2391.6339 0.0000 0.0000 52271.6371 -109112.3114 300.4058 -161383.9485 -108750.2986 299.6103 -66.2753 -38.8561 760198.8672 -0.6418 -0.8086 PRESSURE: 1513800 240.819 16.662 279.018 16.6622 -141.144 1.10987 279.018 1.10978 315.507 GPRESSURE: 1513800 272.032 24.0317 341.628 -28.6529 -124.571 -38.6786 109.206 -17.6633 351.874 PRESSAVG: 1513800 10.6958 8.45578 -26.8798 8.45573 -27.2752 70.4269 -26.8798 70.427 15.4228 GPRESSAVG: 1513800 13.5873 6.80032 -26.7224 8.44243 -28.9592 71.0725 -24.4438 70.0907 14.2416 TIMING: 1513800 CPU: 4728.51, 0.0031309/step Wall: 4728.51, 0.0031309/step, 3.03193 hours remaining, 234.824219 MB of memory in use. ENERGY: 1513800 3953.1117 20492.1158 14393.8431 242.4177 -203167.3774 2634.8471 0.0000 0.0000 52491.3308 -108959.7112 301.6684 -161451.0420 -108590.8106 300.3995 138.3939 166.4453 762196.9518 -0.3855 -0.3768 PRESSURE: 1514000 -284.529 148.907 -59.4912 148.907 -141.256 -133.136 -59.4915 -133.137 16.6801 GPRESSURE: 1514000 -203.682 100.675 10.1253 201.722 -99.5386 -166.261 -193.645 -33.4464 -2.44957 PRESSAVG: 1514000 -1.99259 66.7251 -3.93165 66.7251 -24.3961 16.2021 -3.93162 16.2022 -9.44764 GPRESSAVG: 1514000 -3.10528 66.3111 -5.86145 66.3569 -24.1756 17.3602 -4.85754 16.3332 -8.66634 TIMING: 1514000 CPU: 4729.13, 0.00310979/step Wall: 4729.13, 0.0031098/step, 3.01132 hours remaining, 234.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1514000 3971.7202 20585.4098 14431.0149 249.7283 -203102.3929 2579.1533 0.0000 0.0000 52285.7230 -108999.6434 300.4868 -161285.3664 -108638.4992 299.9420 -136.3684 -101.8902 762094.0891 -11.9454 -11.9824 PRESSURE: 1514200 -234.614 176.808 -45.3181 176.809 -343.215 208.699 -45.3184 208.699 240.563 GPRESSURE: 1514200 -156.902 -0.341067 -58.9777 273.332 -265.573 242.589 51.1183 31.8401 154.992 PRESSAVG: 1514200 -9.4256 39.771 11.6706 39.771 8.98173 -9.21506 11.6706 -9.21516 -9.64527 GPRESSAVG: 1514200 -8.4521 40.6664 13.9381 40.1432 8.56917 -9.7199 11.1112 -7.16747 -10.0327 TIMING: 1514200 CPU: 4729.75, 0.00311409/step Wall: 4729.75, 0.00311409/step, 3.0153 hours remaining, 234.824219 MB of memory in use. ENERGY: 1514200 3943.5986 20641.7734 14431.3700 243.8521 -203031.3040 2518.2341 0.0000 0.0000 52217.4335 -109035.0423 300.0943 -161252.4759 -108677.9634 300.0448 -112.4222 -89.1611 761599.3540 -3.3630 -3.3052 PRESSURE: 1514400 -133.395 99.8178 28.5941 99.8181 91.3617 -171.811 28.5935 -171.81 82.1987 GPRESSURE: 1514400 -65.7953 41.9437 121.761 33.9328 32.5468 -228.528 -47.5435 -160.988 143.467 PRESSAVG: 1514400 20.8851 -2.31317 -65.8266 -2.31319 -66.7943 -4.80057 -65.8265 -4.80051 4.93155 GPRESSAVG: 1514400 20.7983 0.00917891 -67.7524 -2.89171 -67.3956 -5.98668 -65.266 -6.06145 4.80437 TIMING: 1514400 CPU: 4730.38, 0.00312346/step Wall: 4730.38, 0.00312346/step, 3.02421 hours remaining, 234.824219 MB of memory in use. ENERGY: 1514400 3890.8872 20608.4084 14482.3171 234.4100 -203048.1488 2672.5992 0.0000 0.0000 52174.1762 -108985.3508 299.8457 -161159.5270 -108625.9060 300.2087 13.3885 36.7394 761275.1494 -13.6592 -13.9310 PRESSURE: 1514600 272.392 111.867 25.937 111.866 220.43 -216.757 25.938 -216.757 206.171 GPRESSURE: 1514600 229.692 71.4073 82.7837 74.0459 300.904 -98.2209 22.2592 -213.615 241.812 PRESSAVG: 1514600 -7.78993 33.1474 -8.10573 33.1474 -6.89104 -41.0557 -8.10575 -41.0556 -11.4078 GPRESSAVG: 1514600 -8.02431 31.854 -7.0004 31.5574 -5.98352 -39.4464 -8.26542 -41.2147 -12.0035 TIMING: 1514600 CPU: 4731, 0.00311428/step Wall: 4731, 0.00311428/step, 3.01514 hours remaining, 234.824219 MB of memory in use. ENERGY: 1514600 3832.7362 20678.1449 14447.7088 247.6505 -203288.8750 3080.3947 0.0000 0.0000 52295.9477 -108706.2921 300.5455 -161002.2398 -108330.9907 300.4821 232.9977 257.4692 763393.8113 -8.6963 -8.6704 PRESSURE: 1514800 112.994 -166.724 -103.881 -166.725 -322.476 21.6748 -103.881 21.6751 -8.47819 GPRESSURE: 1514800 66.8878 -110.189 -177.709 -63.4893 -234.762 53.8687 15.5334 -91.1714 38.5532 PRESSAVG: 1514800 69.2232 23.6397 -49.1667 23.6396 -41.7291 -66.0515 -49.1667 -66.0515 -26.5804 GPRESSAVG: 1514800 68.6473 22.5714 -50.224 25.3835 -41.1014 -69.0466 -48.3793 -65.2681 -26.462 TIMING: 1514800 CPU: 4731.63, 0.00312977/step Wall: 4731.63, 0.00312977/step, 3.02997 hours remaining, 234.824219 MB of memory in use. ENERGY: 1514800 3975.4250 20550.6410 14382.0760 246.8580 -202684.8403 2464.0136 0.0000 0.0000 52163.4029 -108902.4238 299.7838 -161065.8267 -108535.0995 300.4018 -72.6534 -43.1070 765142.0465 0.3046 0.3613 PRESSURE: 1515000 366.637 87.13 25.3698 87.1298 -163.871 -247.753 25.3699 -247.753 -597.463 GPRESSURE: 1515000 296.849 103.26 -111.06 150.139 -86.6526 -205.61 65.9634 -279.938 -518.752 PRESSAVG: 1515000 6.18776 61.4058 -71.3513 61.4058 4.62906 -32.1377 -71.3513 -32.1376 6.86254 GPRESSAVG: 1515000 6.51862 61.524 -72.0636 61.8309 3.88561 -31.0577 -72.2543 -31.9158 7.0838 TIMING: 1515000 CPU: 4732.25, 0.00311145/step Wall: 4732.25, 0.00311145/step, 3.01206 hours remaining, 234.824219 MB of memory in use. ENERGY: 1515000 4043.7174 20453.2998 14452.2769 244.1773 -202581.6466 2566.0115 0.0000 0.0000 52149.3222 -108672.8416 299.7029 -160822.1637 -108305.7472 299.5193 -131.5656 -102.8518 763905.2250 5.8931 5.8293 PRESSURE: 1515200 -162.911 -226.086 128.464 -226.086 -306.313 -76.4452 128.465 -76.4453 -54.0267 GPRESSURE: 1515200 -184.403 -143.713 76.5165 -99.9342 -238.892 -107.596 259.014 -41.3816 -16.1073 PRESSAVG: 1515200 -11.8851 -9.49717 16.5748 -9.4972 -20.5369 -7.86616 16.5748 -7.86619 17.8218 GPRESSAVG: 1515200 -12.2659 -10.2318 17.8338 -9.26417 -19.8999 -7.24493 17.049 -10.2149 17.7613 TIMING: 1515200 CPU: 4732.87, 0.00311009/step Wall: 4732.87, 0.00311009/step, 3.01057 hours remaining, 234.824219 MB of memory in use. ENERGY: 1515200 3951.0570 20510.8800 14403.6482 250.9339 -202939.1802 2727.2696 0.0000 0.0000 52272.9386 -108822.4529 300.4133 -161095.3915 -108451.6231 299.9109 -174.4170 -146.4674 763935.8077 -4.8667 -4.8015 PRESSURE: 1515400 134.234 145.205 -13.1452 145.203 109.289 205.818 -13.145 205.819 79.9007 GPRESSURE: 1515400 180.636 99.5871 -86.2353 96.804 224.541 126.255 70.8277 186.77 9.42516 PRESSAVG: 1515400 -4.21077 -23.4929 -42.5971 -23.4929 3.30585 -15.6794 -42.5971 -15.6794 4.67595 GPRESSAVG: 1515400 -1.97146 -23.2675 -41.5449 -23.4424 2.94777 -16.2681 -43.5658 -15.5978 3.49836 TIMING: 1515400 CPU: 4733.49, 0.00311423/step Wall: 4733.49, 0.00311423/step, 3.0144 hours remaining, 234.824219 MB of memory in use. ENERGY: 1515400 3918.6989 20686.1934 14276.0330 263.3924 -202829.9749 2737.7087 0.0000 0.0000 52169.6119 -108778.3366 299.8195 -160947.9485 -108415.8507 300.0082 107.8079 138.2006 763465.3348 1.2570 1.4916 PRESSURE: 1515600 -269.031 113.933 -20.2971 113.934 -297.887 -5.77695 -20.2974 -5.777 -104.892 GPRESSURE: 1515600 -221.06 20.7638 -6.12893 78.4552 -300.498 -55.4551 -32.5569 127.347 -70.1639 PRESSAVG: 1515600 -13.3923 -11.7493 -0.557718 -11.7493 21.2809 -25.6188 -0.557628 -25.6188 13.2325 GPRESSAVG: 1515600 -14.3577 -11.7684 -2.55379 -10.7955 21.3616 -25.7457 -0.930357 -24.5802 13.9097 TIMING: 1515600 CPU: 4734.11, 0.0031048/step Wall: 4734.11, 0.00310481/step, 3.00511 hours remaining, 234.824219 MB of memory in use. ENERGY: 1515600 4066.3962 20640.2535 14406.7492 248.8582 -202446.5405 2463.1307 0.0000 0.0000 52130.7851 -108490.3677 299.5963 -160621.1528 -108133.0760 299.8718 -223.9366 -197.2406 764276.2572 7.0403 6.9712 PRESSURE: 1515800 -329.42 159.904 -52.5233 159.903 -90.0819 -416.063 -52.5233 -416.062 102.364 GPRESSURE: 1515800 -302.62 2.49668 -110.287 211.214 -8.50828 -419.838 36.8099 -335.079 102.949 PRESSAVG: 1515800 -9.4517 -22.0653 -39.0284 -22.0652 23.0391 -30.164 -39.0284 -30.164 -26.7107 GPRESSAVG: 1515800 -8.9625 -21.0825 -38.2814 -24.2979 21.8456 -29.4522 -38.0244 -30.4248 -26.1223 TIMING: 1515800 CPU: 4734.73, 0.00310012/step Wall: 4734.73, 0.00310012/step, 3.0004 hours remaining, 234.824219 MB of memory in use. ENERGY: 1515800 3964.5969 20598.1453 14437.5628 261.0368 -202505.3247 2501.7752 0.0000 0.0000 52160.7518 -108581.4558 299.7686 -160742.2076 -108214.0748 300.4675 -105.7123 -69.3930 762626.7321 -4.3744 -4.4131 PRESSURE: 1516000 -71.8527 -135.032 58.9631 -135.032 233.126 20.7881 58.9623 20.7876 134.219 GPRESSURE: 1516000 10.8294 -39.1916 176.768 -115.719 204.406 0.581112 37.8121 70.8192 174.899 PRESSAVG: 1516000 -36.0221 -5.02102 15.5682 -5.02098 10.2285 12.7811 15.5683 12.781 -16.4731 GPRESSAVG: 1516000 -36.0456 -4.93845 15.5383 -5.30319 10.6854 13.4669 16.319 12.8804 -16.7581 TIMING: 1516000 CPU: 4735.36, 0.00311088/step Wall: 4735.36, 0.00311088/step, 3.01064 hours remaining, 234.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1516000 3999.1775 20385.0839 14422.7931 274.7523 -202899.8159 2799.2053 0.0000 0.0000 52253.5802 -108765.2235 300.3020 -161018.8037 -108400.1974 300.5205 98.4976 130.0446 762303.6999 -14.0889 -14.0394 PRESSURE: 1516200 60.2334 56.359 85.4995 56.359 -200.085 123.12 85.4994 123.119 -300.525 GPRESSURE: 1516200 84.785 -2.42689 148.712 170.191 -159.241 114.619 102.572 54.5193 -264.307 PRESSAVG: 1516200 -44.9622 -37.8956 11.7667 -37.8956 57.6936 -5.7944 11.7667 -5.79445 -10.6863 GPRESSAVG: 1516200 -45.308 -36.2312 11.949 -38.6251 58.194 -6.64214 9.93877 -5.90476 -10.0922 TIMING: 1516200 CPU: 4735.98, 0.00311442/step Wall: 4735.98, 0.00311442/step, 3.01389 hours remaining, 234.824219 MB of memory in use. ENERGY: 1516200 3934.4831 20580.7024 14340.0638 249.1484 -202810.0701 2573.9869 0.0000 0.0000 52156.5386 -108975.1469 299.7443 -161131.6855 -108611.6237 300.2397 -146.7921 -112.9212 764194.2931 0.6817 0.9312 LDB: ============= START OF LOAD BALANCING ============== 4748.46 LDB: ============== END OF LOAD BALANCING =============== 4748.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4748.46 LDB: ============= START OF LOAD BALANCING ============== 4748.77 LDB: Largest compute 7052 load 0.029936 is 15.4% of average load 0.194988 LDB: Average compute 0.004395 is 2.3% of average load 0.194988 LDB: TIME 4748.78 LOAD: AVG 0.194988 MAX 0.213664 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.57 MB LDB: TIME 4748.78 LOAD: AVG 0.194988 MAX 0.213664 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.57 MB LDB: TIME 4748.78 LOAD: AVG 0.194988 MAX 0.213664 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.57 MB LDB: ============== END OF LOAD BALANCING =============== 4748.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4748.78 PRESSURE: 1516400 -160.597 -196.091 57.121 -196.09 -326.205 -299.647 57.1212 -299.646 -393.752 GPRESSURE: 1516400 -181.13 -231.793 10.1474 -130.763 -298.003 -298.087 -44.665 -299.298 -319.736 PRESSAVG: 1516400 55.8229 16.3482 41.4167 16.3482 -63.7097 -56.3684 41.4167 -56.3684 -3.79209 GPRESSAVG: 1516400 55.4523 15.4106 42.5774 18.9581 -64.1862 -55.5454 42.0381 -54.93 -3.34029 TIMING: 1516400 CPU: 4736.62, 0.003193/step Wall: 4736.62, 0.003193/step, 3.08976 hours remaining, 234.109375 MB of memory in use. ENERGY: 1516400 4046.3117 20602.9026 14381.6128 240.0285 -202927.5647 2586.1770 0.0000 0.0000 52148.6361 -108921.8960 299.6989 -161070.5321 -108551.0502 299.4888 -293.5179 -266.2896 764268.6284 -3.8929 -4.0247 PRESSURE: 1516600 -206.439 48.412 -43.4257 48.4131 227.483 -8.47298 -43.4265 -8.47173 120.154 GPRESSURE: 1516600 -13.2399 104.901 -80.1554 11.4685 147.759 -1.14662 -84.44 -107.678 98.1599 PRESSAVG: 1516600 6.77017 -3.31957 -24.1245 -3.31961 15.9259 -35.2849 -24.1245 -35.2849 -15.343 GPRESSAVG: 1516600 7.94518 -4.30838 -25.7831 -4.52516 14.5057 -35.0454 -22.8133 -38.5414 -15.2334 TIMING: 1516600 CPU: 4737.24, 0.00312193/step Wall: 4737.24, 0.00312193/step, 3.02081 hours remaining, 234.109375 MB of memory in use. ENERGY: 1516600 4033.4770 20629.2906 14339.7279 224.1777 -203221.9512 2873.6562 0.0000 0.0000 52332.0427 -108789.5792 300.7530 -161121.6219 -108434.8475 299.8430 47.0659 77.5597 763113.1255 2.4510 2.4058 PRESSURE: 1516800 100.077 79.6801 -237.899 79.6805 121.43 -224.079 -237.899 -224.079 71.4249 GPRESSURE: 1516800 131.601 26.165 -274.743 85.0578 203.113 -271.308 -205.295 -197.806 49.487 PRESSAVG: 1516800 -13.2194 30.273 -18.2232 30.2731 14.5231 -18.2312 -18.2232 -18.2312 20.3109 GPRESSAVG: 1516800 -13.425 30.3636 -16.4521 30.3617 15.4785 -17.5067 -18.4641 -16.0924 19.7366 TIMING: 1516800 CPU: 4737.86, 0.0030983/step Wall: 4737.86, 0.0030983/step, 2.99778 hours remaining, 234.109375 MB of memory in use. ENERGY: 1516800 4038.7257 20399.4287 14417.8937 235.1294 -202936.5652 2784.1557 0.0000 0.0000 52293.3569 -108767.8752 300.5306 -161061.2321 -108411.7112 299.8347 97.6439 128.0670 761074.2407 7.2049 7.2634 PRESSURE: 1517000 128.83 -218.007 -46.081 -218.007 0.584207 -98.8884 -46.0814 -98.8872 140.706 GPRESSURE: 1517000 184.212 -219.902 8.64182 -87.4797 15.716 -63.9235 40.5303 -63.9858 168.851 PRESSAVG: 1517000 70.3723 19.9039 -24.5266 19.9039 -23.4952 -42.845 -24.5266 -42.845 -11.4158 GPRESSAVG: 1517000 68.6182 21.9335 -24.2748 21.6546 -22.645 -44.1107 -23.3532 -43.378 -10.6262 TIMING: 1517000 CPU: 4738.49, 0.00313249/step Wall: 4738.49, 0.00313249/step, 3.03068 hours remaining, 234.109375 MB of memory in use. ENERGY: 1517000 3954.6179 20550.9155 14392.9003 240.4815 -202941.3949 2801.0136 0.0000 0.0000 52074.0143 -108927.4518 299.2701 -161001.4661 -108587.2079 299.5491 90.0400 122.9262 762685.2115 11.8204 11.7823 PRESSURE: 1517200 -103.246 173.11 96.1671 173.11 -288.548 -47.7071 96.1674 -47.7064 220.953 GPRESSURE: 1517200 -170.627 -7.96831 114.297 119.821 -182.263 -60.5822 52.2137 7.07236 274.872 PRESSAVG: 1517200 -33.7367 -30.0885 -8.25214 -30.0884 32.0342 -40.3528 -8.25214 -40.3528 17.3345 GPRESSAVG: 1517200 -32.6263 -32.4456 -9.50918 -31.8365 31.4197 -40.3943 -9.48373 -39.7411 17.0785 TIMING: 1517200 CPU: 4739.11, 0.00311754/step Wall: 4739.11, 0.00311754/step, 3.01604 hours remaining, 234.109375 MB of memory in use. ENERGY: 1517200 3975.5650 20457.0990 14361.4816 255.7404 -202548.2152 2534.8947 0.0000 0.0000 52310.7513 -108652.6832 300.6306 -160963.4345 -108301.1608 300.2729 -56.9469 -26.0060 764175.8047 5.2107 5.2906 PRESSURE: 1517400 -93.4283 212.821 -17.5496 212.82 -142.074 -90.0414 -17.5491 -90.0405 141.273 GPRESSURE: 1517400 -19.6115 36.3135 31.1447 190.311 -117.227 -135.216 -31.118 -108.87 122.206 PRESSAVG: 1517400 -24.7038 -21.5426 -2.51652 -21.5426 9.19309 -37.5045 -2.51653 -37.5046 -6.56609 GPRESSAVG: 1517400 -23.6418 -20.2421 -1.30562 -23.1915 8.68569 -37.3051 -2.49495 -38.5471 -6.93612 TIMING: 1517400 CPU: 4739.73, 0.00310894/step Wall: 4739.73, 0.00310894/step, 3.00755 hours remaining, 234.109375 MB of memory in use. ENERGY: 1517400 4056.8602 20426.9094 14405.1052 244.1237 -202852.6158 2793.9280 0.0000 0.0000 52145.5418 -108780.1475 299.6811 -160925.6893 -108426.5126 300.5961 -31.4097 -4.8776 763734.4471 -7.3589 -7.2974 PRESSURE: 1517600 -295.654 -196.54 -5.56111 -196.54 -48.0243 -101.727 -5.56051 -101.727 -20.0357 GPRESSURE: 1517600 -261.721 16.976 -19.6058 -172.575 -26.2815 -130.036 -36.767 -35.349 7.43992 PRESSAVG: 1517600 5.21548 15.5361 1.14052 15.5362 20.8329 4.02091 1.14049 4.02091 9.83747 GPRESSAVG: 1517600 4.49711 15.5386 -0.20876 15.7542 21.2661 4.60776 1.56987 3.43987 9.6775 TIMING: 1517600 CPU: 4740.36, 0.00311488/step Wall: 4740.36, 0.00311488/step, 3.01313 hours remaining, 234.109375 MB of memory in use. ENERGY: 1517600 4005.4079 20531.6300 14450.3095 235.6431 -202620.5990 2578.8146 0.0000 0.0000 52108.5280 -108710.2659 299.4684 -160818.7939 -108354.8891 300.2397 -121.2381 -93.5208 764205.8808 11.9620 11.8136 PRESSURE: 1517800 -95.2294 -145.444 159.717 -145.444 -438.319 -2.83882 159.716 -2.83995 -22.7096 GPRESSURE: 1517800 -60.2764 -154.74 111.34 -178.838 -353.237 86.332 15.5976 -46.0441 -74.723 PRESSAVG: 1517800 16.1778 12.9528 -31.8576 12.9528 -54.9805 64.992 -31.8577 64.992 4.39454 GPRESSAVG: 1517800 14.4576 11.1249 -30.8003 12.0013 -54.0761 65.6382 -33.3961 65.3904 5.01322 TIMING: 1517800 CPU: 4740.98, 0.00309664/step Wall: 4740.98, 0.00309664/step, 2.99531 hours remaining, 234.109375 MB of memory in use. ENERGY: 1517800 3999.2790 20757.0874 14404.1232 240.1480 -202745.1289 2516.4264 0.0000 0.0000 51919.6829 -108908.3818 298.3831 -160828.0647 -108550.8517 299.9805 -185.4194 -162.7456 762890.2975 -11.4694 -11.5351 PRESSURE: 1518000 -176.568 97.9711 -139.068 97.9718 -146.895 -175.002 -139.067 -175.001 -71.4999 GPRESSURE: 1518000 -190.496 0.566229 -94.249 43.485 -168.192 -242.931 -195.298 -59.7397 51.0843 PRESSAVG: 1518000 38.5169 -10.98 -46.1127 -10.98 -41.02 -14.6693 -46.1128 -14.6694 9.55479 GPRESSAVG: 1518000 39.8644 -9.78439 -48.5335 -11.4949 -41.2772 -14.5939 -46.0743 -14.5563 8.41745 TIMING: 1518000 CPU: 4741.6, 0.00310916/step Wall: 4741.6, 0.00310916/step, 3.00725 hours remaining, 234.109375 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: 1518000 3987.6893 20512.6670 14410.3171 261.9102 -203244.1556 2709.0229 0.0000 0.0000 52188.8479 -109173.7012 299.9300 -161362.5491 -108819.9469 299.9376 -131.6542 -102.5347 762948.0181 2.3506 2.3349 PRESSURE: 1518200 69.7206 -84.8947 136.072 -84.8956 349.365 -195.224 136.071 -195.226 23.0926 GPRESSURE: 1518200 160.588 -5.67915 83.0463 -163.638 304.743 -197.578 204.712 -236.301 73.9083 PRESSAVG: 1518200 -28.5467 -16.5535 -14.1836 -16.5535 1.05636 -22.1641 -14.1836 -22.1641 19.3859 GPRESSAVG: 1518200 -28.6522 -15.3872 -12.0755 -14.7636 0.877057 -22.2084 -13.3263 -21.4899 19.6209 TIMING: 1518200 CPU: 4742.22, 0.0031068/step Wall: 4742.22, 0.0031068/step, 3.00479 hours remaining, 234.109375 MB of memory in use. ENERGY: 1518200 3972.8822 20412.4907 14391.4687 262.1130 -203366.0480 2943.3020 0.0000 0.0000 52149.6981 -109234.0934 299.7050 -161383.7915 -108878.2566 299.6736 147.3928 179.7464 763050.7485 -2.7015 -2.7181 PRESSURE: 1518400 -34.7249 -163.89 35.6275 -163.889 124.731 -98.5213 35.6269 -98.52 2.50708 GPRESSURE: 1518400 31.9217 -88.0735 63.4755 -28.5901 176.672 -102.789 -127.184 -64.7145 -29.934 PRESSAVG: 1518400 -61.9709 -2.89778 82.1504 -2.89769 74.5895 12.6816 82.1504 12.6816 -6.2501 GPRESSAVG: 1518400 -62.432 -5.09749 82.3716 -2.22736 74.9304 12.6974 79.9158 12.4402 -6.57444 TIMING: 1518400 CPU: 4742.84, 0.00312207/step Wall: 4742.84, 0.00312207/step, 3.01939 hours remaining, 234.109375 MB of memory in use. ENERGY: 1518400 3923.6965 20513.7190 14394.3010 225.8458 -203640.0376 3095.2807 0.0000 0.0000 52148.8055 -109338.3890 299.6999 -161487.1946 -108986.5224 299.3347 30.8376 59.5531 762415.5404 2.1228 1.9747 PRESSURE: 1518600 221.778 -106.191 -99.395 -106.191 405.468 50.2773 -99.3955 50.2778 209.208 GPRESSURE: 1518600 251.878 -130.856 -119.204 -89.8026 395.235 48.61 -156.217 55.8961 279.419 PRESSAVG: 1518600 23.5424 0.478364 55.3064 0.478301 -7.00383 22.3715 55.3063 22.3715 19.2133 GPRESSAVG: 1518600 24.7894 0.149049 55.3659 0.578615 -7.55775 23.6444 55.3163 20.4716 19.0762 TIMING: 1518600 CPU: 4743.47, 0.00311874/step Wall: 4743.47, 0.00311874/step, 3.016 hours remaining, 234.109375 MB of memory in use. ENERGY: 1518600 3963.8168 20481.6723 14394.1492 250.5489 -203379.6311 2873.4945 0.0000 0.0000 52037.0113 -109378.9381 299.0574 -161415.9495 -109015.8022 298.9581 278.8180 308.8440 761504.3178 11.9173 12.1026 PRESSURE: 1518800 420.255 47.6504 60.5765 47.6501 402.726 -210.102 60.5761 -210.101 -34.3438 GPRESSURE: 1518800 403.774 -6.37406 68.638 55.1339 477.702 -222.91 -13.0783 -143.875 -14.0763 PRESSAVG: 1518800 28.7081 -22.7409 -8.2493 -22.7409 -31.545 -29.8956 -8.24932 -29.8956 -1.5343 GPRESSAVG: 1518800 29.3865 -21.1427 -10.3074 -22.6718 -31.2937 -31.7401 -5.45722 -25.8344 -2.06296 TIMING: 1518800 CPU: 4744.09, 0.00312927/step Wall: 4744.09, 0.00312927/step, 3.02601 hours remaining, 234.109375 MB of memory in use. ENERGY: 1518800 3942.8686 20476.2478 14422.2393 241.2981 -203501.7239 2917.9537 0.0000 0.0000 52124.1528 -109376.9636 299.5582 -161501.1165 -109013.5645 298.8348 262.8790 289.1332 761015.0564 -1.4571 -1.3234 PRESSURE: 1519000 257.678 35.2201 74.5142 35.219 102.226 138.661 74.5147 138.661 -16.0689 GPRESSURE: 1519000 232.072 -46.0721 65.6058 114.703 176.074 136.867 101.983 132.574 18.1348 PRESSAVG: 1519000 47.3272 26.8371 46.8081 26.8371 -21.9192 8.38652 46.8081 8.3865 9.57081 GPRESSAVG: 1519000 46.8365 23.8808 47.174 26.301 -20.4921 8.69566 45.5622 8.28993 8.97257 TIMING: 1519000 CPU: 4744.71, 0.00310393/step Wall: 4744.71, 0.00310393/step, 3.00133 hours remaining, 234.109375 MB of memory in use. ENERGY: 1519000 4027.6585 20357.9959 14361.7170 248.8071 -203164.6281 2792.9096 0.0000 0.0000 51986.0299 -109389.5101 298.7644 -161375.5399 -109022.9459 298.5056 114.6116 142.0937 763271.1891 11.6596 11.7723 PRESSURE: 1519200 197.703 -9.28935 -22.4537 -9.28905 61.6577 65.1396 -22.4528 65.1392 -141.905 GPRESSURE: 1519200 217.772 59.0248 -7.2727 -57.5217 19.1893 104.157 -12.5258 18.3848 -43.9405 PRESSAVG: 1519200 13.4581 4.23294 88.1391 4.23284 -11.3141 6.52495 88.139 6.52494 -1.42927 GPRESSAVG: 1519200 13.3285 5.96834 89.1704 1.61501 -13.0004 5.36679 88.6173 6.64344 0.311639 TIMING: 1519200 CPU: 4745.34, 0.00310846/step Wall: 4745.34, 0.00310846/step, 3.00554 hours remaining, 234.109375 MB of memory in use. ENERGY: 1519200 3994.4541 20373.0874 14407.7778 242.0080 -203136.6093 2809.1081 0.0000 0.0000 51947.9439 -109362.2300 298.5455 -161310.1739 -108994.2054 298.6662 39.1521 64.3404 763392.0760 0.2383 0.2133 PRESSURE: 1519400 -66.1087 47.5544 -227.928 47.5548 -132.396 145.272 -227.928 145.271 -323.015 GPRESSURE: 1519400 -130.912 33.8343 -228.805 -29.4416 -48.214 119.49 -301.677 147.886 -234.721 PRESSAVG: 1519400 46.1959 -19.1841 6.79667 -19.184 -31.2108 25.6575 6.79667 25.6575 17.8974 GPRESSAVG: 1519400 46.2394 -18.9854 6.57876 -17.381 -31.0654 26.8193 5.78973 23.9696 17.9555 TIMING: 1519400 CPU: 4745.96, 0.00311481/step Wall: 4745.96, 0.00311481/step, 3.0115 hours remaining, 234.109375 MB of memory in use. ENERGY: 1519400 4125.0255 20261.3997 14392.6578 253.3173 -203223.3602 2672.1877 0.0000 0.0000 52113.5311 -109405.2410 299.4972 -161518.7722 -109046.6013 298.9808 -173.8400 -137.9492 760768.7640 10.9608 11.0432 PRESSURE: 1519600 -410.388 -116.523 98.7329 -116.523 -18.4442 -105.065 98.732 -105.066 -111.227 GPRESSURE: 1519600 -385.066 -140.539 96.6072 -84.0199 1.23224 -23.1351 13.7995 -4.88512 -61.1332 PRESSAVG: 1519600 -4.42615 -3.06407 12.8888 -3.0641 -0.0691065 1.89811 12.8888 1.89822 14.1026 GPRESSAVG: 1519600 -4.39796 -3.33556 12.6419 -1.9802 1.62978 2.80894 11.9574 -0.618846 12.155 TIMING: 1519600 CPU: 4746.58, 0.00311486/step Wall: 4746.58, 0.00311486/step, 3.01138 hours remaining, 234.109375 MB of memory in use. ENERGY: 1519600 4084.0001 20425.2589 14457.8529 267.0147 -202921.6474 2580.4063 0.0000 0.0000 52030.6392 -109076.4753 299.0208 -161107.1145 -108711.9968 299.3710 -180.0197 -148.3222 762283.2346 3.2024 3.1289 PRESSURE: 1519800 -87.177 10.2434 -109.578 10.2434 301.547 46.155 -109.578 46.1548 700.07 GPRESSURE: 1519800 116.634 75.1848 -159.061 -38.157 223.442 17.6251 -165.088 117.911 662.654 PRESSAVG: 1519800 35.4052 27.341 -13.4356 27.341 -20.2622 -19.116 -13.4355 -19.116 -0.670355 GPRESSAVG: 1519800 36.1387 28.6071 -12.8173 26.1977 -21.6755 -19.8728 -11.6717 -15.8409 0.0203303 TIMING: 1519800 CPU: 4747.2, 0.00309734/step Wall: 4747.2, 0.00309734/step, 2.99426 hours remaining, 234.109375 MB of memory in use. ENERGY: 1519800 3956.0663 20540.4132 14488.0300 246.2670 -203396.3297 2889.5666 0.0000 0.0000 52289.6356 -108986.3510 300.5093 -161275.9865 -108622.7202 299.8814 304.8133 334.2433 760564.3326 4.8242 4.8278 PRESSURE: 1520000 174.799 -230.119 68.4345 -230.119 417.554 33.2467 68.4358 33.2456 -281.815 GPRESSURE: 1520000 150.551 -118.699 77.1642 -206.029 452.523 -80.3229 19.4511 117.833 -238.794 PRESSAVG: 1520000 -3.37843 -10.6218 15.597 -10.6218 -3.47945 12.4017 15.597 12.4018 11.4351 GPRESSAVG: 1520000 -2.88248 -9.87454 14.6738 -7.81974 -3.92178 11.7569 15.9038 9.77911 10.8479 TIMING: 1520000 CPU: 4747.82, 0.00311703/step Wall: 4747.82, 0.00311703/step, 3.01313 hours remaining, 234.109375 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: 1520000 3979.5488 20542.0654 14450.9155 238.9812 -203135.8066 2701.6129 0.0000 0.0000 52243.3006 -108979.3822 300.2430 -161222.6828 -108610.9557 299.5767 103.5123 121.4266 761532.0210 1.5257 1.3479 PRESSURE: 1520200 -258.501 -256.196 46.9611 -256.197 -145.278 -159.906 46.9598 -159.906 151.946 GPRESSURE: 1520200 -273.695 -246.242 40.6093 -247.521 -114.69 -306.479 94.689 -117.668 219.667 PRESSAVG: 1520200 51.8994 -47.3585 40.978 -47.3585 -28.2876 19.6895 40.978 19.6895 8.92961 GPRESSAVG: 1520200 50.9869 -49.1532 40.5539 -49.6832 -27.7939 18.6736 42.0131 20.7978 9.50886 TIMING: 1520200 CPU: 4748.45, 0.0031135/step Wall: 4748.45, 0.0031135/step, 3.00954 hours remaining, 234.109375 MB of memory in use. ENERGY: 1520200 3951.7883 20597.4336 14354.2023 250.7759 -202677.4525 2615.9250 0.0000 0.0000 52185.6309 -108721.6966 299.9115 -160907.3275 -108357.5718 300.3953 -83.9442 -56.2393 761745.0123 10.8471 10.9006 LDB: ============= START OF LOAD BALANCING ============== 4760.92 LDB: ============== END OF LOAD BALANCING =============== 4760.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4760.93 LDB: ============= START OF LOAD BALANCING ============== 4761.24 LDB: Largest compute 7052 load 0.028881 is 14.8% of average load 0.194978 LDB: Average compute 0.004394 is 2.3% of average load 0.194978 LDB: TIME 4761.24 LOAD: AVG 0.194978 MAX 0.214281 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.109 MB LDB: TIME 4761.24 LOAD: AVG 0.194978 MAX 0.214281 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.109 MB LDB: TIME 4761.24 LOAD: AVG 0.194978 MAX 0.214281 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.109 MB LDB: ============== END OF LOAD BALANCING =============== 4761.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4761.25 PRESSURE: 1520400 -94.4998 -243.743 -168.47 -243.743 -141.633 -66.1314 -168.471 -66.1315 -390.856 GPRESSURE: 1520400 -37.5056 -276.047 -203.327 -162.154 -154.028 -158.321 -177.246 21.3135 -353.995 PRESSAVG: 1520400 56.2894 -51.5903 -16.3286 -51.5903 -78.5238 42.1765 -16.3287 42.1765 9.59183 GPRESSAVG: 1520400 56.7561 -49.5768 -14.9294 -52.2321 -78.3483 42.8375 -18.978 44.5382 8.64968 TIMING: 1520400 CPU: 4749.08, 0.00317777/step Wall: 4749.08, 0.00317777/step, 3.07149 hours remaining, 235.023438 MB of memory in use. ENERGY: 1520400 4001.5875 20646.7783 14385.0829 247.7555 -202549.2897 2240.4022 0.0000 0.0000 51990.6627 -109037.0205 298.7911 -161027.6832 -108677.7061 299.6714 -208.9961 -181.8429 763562.2772 -4.2142 -4.3142 PRESSURE: 1520600 -31.0222 123.275 119.581 123.275 -84.9775 135.749 119.581 135.749 -108.819 GPRESSURE: 1520600 20.3067 86.8623 53.4216 -44.8673 -37.6627 217.072 30.9796 29.7141 -115.423 PRESSAVG: 1520600 10.4961 -8.25562 -2.74828 -8.25568 -37.777 -6.59245 -2.74827 -6.5924 23.5599 GPRESSAVG: 1520600 10.5075 -9.08033 -5.12561 -7.80381 -38.0553 -5.18871 -2.19349 -8.83904 23.8843 TIMING: 1520600 CPU: 4749.71, 0.00313366/step Wall: 4749.71, 0.00313366/step, 3.02868 hours remaining, 235.023438 MB of memory in use. ENERGY: 1520600 4019.0296 20465.9554 14403.9231 241.5908 -203038.0199 2617.7122 0.0000 0.0000 52293.4933 -108996.3155 300.5314 -161289.8088 -108624.4946 299.3500 -74.9395 -44.2595 763754.8505 -1.2404 -1.2212 PRESSURE: 1520800 -68.7112 -196.426 0.134996 -196.427 77.6325 86.3685 0.135272 86.3677 269.775 GPRESSURE: 1520800 47.5277 -171.357 59.3554 -225.44 31.3162 77.2697 -23.1108 17.9775 286.671 PRESSAVG: 1520800 87.3145 -67.6721 58.983 -67.6721 -37.0822 -8.91205 58.9831 -8.91203 -3.13129 GPRESSAVG: 1520800 87.3098 -69.3528 60.8291 -65.6838 -37.9715 -8.35558 59.4626 -7.69135 -1.89497 TIMING: 1520800 CPU: 4750.33, 0.00311063/step Wall: 4750.33, 0.00311063/step, 3.00625 hours remaining, 235.023438 MB of memory in use. ENERGY: 1520800 4029.8580 20544.7519 14432.2925 242.2818 -203045.5052 2601.4050 0.0000 0.0000 52088.1046 -109106.8113 299.3511 -161194.9160 -108748.7973 299.7114 92.8989 121.8381 761436.8285 15.7003 15.8145 PRESSURE: 1521000 -46.4261 36.704 -213.137 36.703 -656.329 163.508 -213.138 163.508 -233.63 GPRESSURE: 1521000 -110.714 -62.9801 -102.127 62.0361 -520.472 80.7154 -229.358 167.03 -211.291 PRESSAVG: 1521000 24.6347 -76.6352 20.825 -76.6353 -54.2011 -23.8433 20.8249 -23.8432 -14.9889 GPRESSAVG: 1521000 23.475 -75.9207 21.4395 -77.8035 -51.6603 -27.1728 20.2443 -24.6054 -16.2194 TIMING: 1521000 CPU: 4750.96, 0.0031305/step Wall: 4750.96, 0.0031305/step, 3.02528 hours remaining, 235.023438 MB of memory in use. ENERGY: 1521000 4010.6843 20396.3165 14497.6471 231.9072 -202789.6734 2350.5542 0.0000 0.0000 52194.7642 -109107.7999 299.9640 -161302.5641 -108744.1326 299.6728 -312.1287 -280.8255 762362.9275 -14.8518 -14.8015 PRESSURE: 1521200 -165.859 35.7878 33.7681 35.7873 112.507 21.2429 33.7679 21.2431 197.271 GPRESSURE: 1521200 -50.2117 24.7667 69.7979 -45.7679 86.8479 21.3774 -57.7212 -27.7604 182.276 PRESSAVG: 1521200 -14.2098 -39.1325 -19.9861 -39.1324 -7.59359 -39.0289 -19.9861 -39.029 3.17706 GPRESSAVG: 1521200 -12.8836 -39.5411 -21.3849 -38.0129 -9.27189 -38.0921 -17.7384 -40.6338 3.34473 TIMING: 1521200 CPU: 4751.58, 0.00310705/step Wall: 4751.58, 0.00310705/step, 3.00245 hours remaining, 235.023438 MB of memory in use. ENERGY: 1521200 4020.5181 20548.9882 14421.6783 250.7848 -202913.2668 2386.7157 0.0000 0.0000 51979.7990 -109304.7827 298.7286 -161284.5817 -108934.9188 298.9687 47.9733 72.9708 761637.0315 -6.2088 -6.2703 PRESSURE: 1521400 359.036 205.51 -314.208 205.51 74.6015 -184.78 -314.207 -184.78 130.301 GPRESSURE: 1521400 343.468 201.802 -242.74 242.875 170.15 -158.075 -315.201 -119.624 138.52 PRESSAVG: 1521400 -28.1547 -3.14753 13.2996 -3.14751 78.7725 -18.8903 13.2996 -18.8902 16.7113 GPRESSAVG: 1521400 -29.3961 -2.05528 13.9603 -2.52492 81.1653 -18.0665 11.3839 -16.6412 16.4652 TIMING: 1521400 CPU: 4752.2, 0.00311023/step Wall: 4752.2, 0.00311023/step, 3.00535 hours remaining, 235.023438 MB of memory in use. ENERGY: 1521400 3984.6124 20488.6733 14368.5125 252.8935 -202911.3806 2511.9231 0.0000 0.0000 51976.9938 -109327.7720 298.7125 -161304.7659 -108959.4786 299.3595 187.9797 217.3797 761337.0379 22.4430 22.7448 PRESSURE: 1521600 188.999 -249.566 173.702 -249.566 -166.057 155.657 173.703 155.658 212.129 GPRESSURE: 1521600 195.739 -180.701 155.147 -227.95 -147.95 129.43 217.303 66.9256 266.493 PRESSAVG: 1521600 19.1717 -72.3858 23.7515 -72.3858 -22.2022 2.64457 23.7515 2.64449 16.9387 GPRESSAVG: 1521600 20.2442 -71.4431 23.6955 -73.0245 -23.8971 2.78274 25.3174 3.48702 17.3359 TIMING: 1521600 CPU: 4752.82, 0.00311587/step Wall: 4752.82, 0.00311587/step, 3.01063 hours remaining, 235.023438 MB of memory in use. ENERGY: 1521600 3989.5505 20616.7006 14363.9334 252.1429 -203414.4555 2907.9377 0.0000 0.0000 51902.7076 -109381.4827 298.2856 -161284.1903 -109017.5874 299.0131 78.3572 104.7605 760869.7786 4.6361 4.5610 PRESSURE: 1521800 -52.1284 33.7291 17.6783 33.7289 -295.488 222.734 17.6787 222.736 -504.985 GPRESSURE: 1521800 41.4141 -41.0371 92.1106 -37.8367 -243.581 290.34 -138.938 134.513 -567.308 PRESSAVG: 1521800 32.3872 -41.4806 -2.53944 -41.4806 -15.0503 2.99176 -2.53938 2.99165 3.48653 GPRESSAVG: 1521800 31.2279 -42.4849 -2.10062 -42.4214 -14.6782 4.52663 -3.00599 0.477648 2.89018 TIMING: 1521800 CPU: 4753.45, 0.00312056/step Wall: 4753.45, 0.00312056/step, 3.01498 hours remaining, 235.023438 MB of memory in use. ENERGY: 1521800 4036.6093 20463.5487 14493.8786 236.1633 -203388.4737 2522.2390 0.0000 0.0000 52028.4968 -109607.5379 299.0085 -161636.0347 -109236.6135 298.6454 -284.2002 -256.4916 762068.7447 6.9411 6.4800 PRESSURE: 1522000 -61.4288 -129.067 -141.804 -129.068 72.6034 -12.7693 -141.804 -12.7689 132.163 GPRESSURE: 1522000 39.0936 -93.5968 -193.327 -186.07 39.7566 16.2028 -99.2167 -27.8923 168.974 PRESSAVG: 1522000 52.7099 -48.0767 2.48445 -48.0768 -33.9842 -0.399563 2.48444 -0.399504 4.68099 GPRESSAVG: 1522000 52.0424 -48.7662 0.996072 -47.0146 -34.3618 -1.73479 3.33007 -0.248427 5.81685 TIMING: 1522000 CPU: 4754.07, 0.00311781/step Wall: 4754.07, 0.00311781/step, 3.01215 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1522000 4036.9656 20573.8270 14383.3253 260.7861 -203722.4051 2802.5183 0.0000 0.0000 52252.3681 -109412.6148 300.2951 -161664.9829 -109048.4255 298.8587 47.7792 82.6081 762364.3154 7.8022 7.8325 PRESSURE: 1522200 115.834 -128.163 -79.7477 -128.163 -91.7615 126.812 -79.7475 126.812 9.17174 GPRESSURE: 1522200 176.172 -109.624 -13.9014 -76.5467 -52.759 95.3493 -98.5178 74.1847 4.05123 PRESSAVG: 1522200 75.9444 4.77658 19.5608 4.7766 -105.456 1.6143 19.5608 1.61428 16.4968 GPRESSAVG: 1522200 77.0232 6.78214 20.9287 1.69322 -105.809 2.05884 18.8626 3.13358 15.631 TIMING: 1522200 CPU: 4754.69, 0.00310896/step Wall: 4754.69, 0.00310896/step, 3.00342 hours remaining, 235.023438 MB of memory in use. ENERGY: 1522200 3964.2663 20598.8069 14502.5569 255.6599 -203242.0283 2677.2215 0.0000 0.0000 52046.5432 -109196.9736 299.1122 -161243.5168 -108834.2917 298.8536 11.0815 42.4882 761053.9176 -4.3382 -4.3850 PRESSURE: 1522400 235.245 -65.3972 137.701 -65.3967 210.534 -99.9313 137.701 -99.9311 -61.536 GPRESSURE: 1522400 227.881 -87.6168 193.296 32.4774 276.276 -61.3838 253.793 -141.847 -47.6026 PRESSAVG: 1522400 -4.52472 -81.783 29.4419 -81.7831 -17.5553 8.05721 29.4418 8.05729 2.15181 GPRESSAVG: 1522400 -5.75077 -83.0144 29.2692 -78.3145 -17.7527 7.42046 30.5148 8.46651 3.30385 TIMING: 1522400 CPU: 4755.31, 0.00310068/step Wall: 4755.31, 0.00310068/step, 2.99526 hours remaining, 235.023438 MB of memory in use. ENERGY: 1522400 3999.8676 20519.9544 14462.7863 240.9648 -203341.8294 2780.4565 0.0000 0.0000 51944.4043 -109393.3954 298.5252 -161337.7997 -109039.1097 299.3919 128.0810 152.1849 759828.0835 -6.6427 -6.7332 PRESSURE: 1522600 -214.103 -145.441 -37.6585 -145.44 -231.746 40.7235 -37.6584 40.7239 277.389 GPRESSURE: 1522600 -124.863 -153.689 -63.0825 -395.817 -221.455 51.9592 -105.184 33.2541 233.183 PRESSAVG: 1522600 57.8028 -34.2725 -27.3722 -34.2726 -39.2134 6.71268 -27.3721 6.71276 -2.99866 GPRESSAVG: 1522600 58.5238 -32.3309 -26.9902 -37.1901 -39.456 6.73721 -26.8901 6.92389 -4.11981 TIMING: 1522600 CPU: 4755.94, 0.00311874/step Wall: 4755.94, 0.00311874/step, 3.01253 hours remaining, 235.023438 MB of memory in use. ENERGY: 1522600 4045.2730 20564.6738 14413.0167 261.1406 -203443.5785 2658.8004 0.0000 0.0000 51986.2926 -109514.3814 298.7659 -161500.6740 -109149.4968 299.1197 -56.1536 -37.7117 760065.0172 5.1969 4.9827 PRESSURE: 1522800 -200.115 -99.6884 -108.907 -99.6883 -354.15 -22.5092 -108.906 -22.509 114.952 GPRESSURE: 1522800 -162.038 -122.936 -34.924 76.1032 -256.112 2.22557 -225.738 20.0271 47.4358 PRESSAVG: 1522800 31.9542 -23.4401 -5.60894 -23.4401 -27.3718 -1.08663 -5.60896 -1.08668 -20.6369 GPRESSAVG: 1522800 31.5537 -25.7251 -5.66139 -21.9928 -26.8192 -0.488572 -7.58461 -0.645197 -20.7847 TIMING: 1522800 CPU: 4756.57, 0.00315669/step Wall: 4756.57, 0.00315669/step, 3.04901 hours remaining, 235.023438 MB of memory in use. ENERGY: 1522800 4025.3467 20459.9021 14482.9574 261.8545 -202888.4753 2261.8027 0.0000 0.0000 52147.0415 -109249.5703 299.6898 -161396.6118 -108876.0471 298.9669 -146.4379 -123.5713 763890.0046 -5.3515 -5.3500 PRESSURE: 1523000 286.495 -19.3045 -292.257 -19.3049 -164.308 -124.854 -292.258 -124.855 -497.695 GPRESSURE: 1523000 280.15 23.0489 -205.171 91.669 -136.237 -202.47 -144.956 -127.778 -445.992 PRESSAVG: 1523000 12.5274 27.8986 14.339 27.8986 -10.8185 -13.259 14.339 -13.259 -17.777 GPRESSAVG: 1523000 11.8572 27.7397 15.3628 29.8824 -10.9839 -12.1542 14.3901 -14.9801 -16.7758 TIMING: 1523000 CPU: 4757.2, 0.00314915/step Wall: 4757.2, 0.00314915/step, 3.04155 hours remaining, 235.023438 MB of memory in use. ENERGY: 1523000 3957.5095 20412.3288 14481.6319 242.6114 -203301.7352 2738.7692 0.0000 0.0000 52125.3568 -109343.5275 299.5651 -161468.8843 -108978.7943 299.3291 -125.1693 -100.6930 760461.6233 -5.3560 -5.3008 PRESSURE: 1523200 -39.4391 -32.671 18.2675 -32.6715 120.729 -75.2221 18.2679 -75.223 -203.72 GPRESSURE: 1523200 -103.698 -68.313 -15.5432 52.4928 118.248 -83.4432 90.2555 42.0247 -65.8976 PRESSAVG: 1523200 48.0283 -27.4574 -10.0982 -27.4574 9.3266 15.5072 -10.0982 15.5073 -4.79207 GPRESSAVG: 1523200 47.7546 -27.5587 -11.0074 -27.3574 9.52864 13.4348 -9.15564 14.8073 -4.32824 TIMING: 1523200 CPU: 4757.82, 0.00312774/step Wall: 4757.82, 0.00312774/step, 3.0207 hours remaining, 235.023438 MB of memory in use. ENERGY: 1523200 3975.3830 20387.7683 14395.1493 240.5958 -203018.2181 2394.6206 0.0000 0.0000 52174.6741 -109450.0270 299.8486 -161624.7011 -109088.5135 299.2295 -40.8100 -17.1159 761727.5934 17.5209 17.6517 PRESSURE: 1523400 229.368 -213.567 -79.4693 -213.567 -6.27927 -4.41355 -79.4698 -4.41403 498.635 GPRESSURE: 1523400 253.973 -179.192 -139.485 -307.124 25.4197 71.0796 -27.0368 44.6864 538.034 PRESSAVG: 1523400 -14.0329 13.018 10.2788 13.018 -4.41764 28.801 10.2788 28.8009 -2.84818 GPRESSAVG: 1523400 -12.4723 14.7067 9.63934 10.0383 -5.24975 30.9537 10.9866 30.1447 -3.89395 TIMING: 1523400 CPU: 4758.45, 0.00312746/step Wall: 4758.45, 0.00312746/step, 3.02026 hours remaining, 235.023438 MB of memory in use. ENERGY: 1523400 4025.1948 20516.4133 14447.6158 254.0131 -203589.7413 2872.1175 0.0000 0.0000 51990.9277 -109483.4591 298.7926 -161474.3868 -109128.0008 298.6210 240.5747 272.4756 760780.1691 -7.0996 -7.2053 PRESSURE: 1523600 126.629 120.447 -133.23 120.447 228.05 88.6656 -133.23 88.6662 126.504 GPRESSURE: 1523600 193.804 93.5331 -145.743 294.693 234.917 77.3871 -55.5257 87.5172 129.203 PRESSAVG: 1523600 48.4945 -57.3015 -9.51798 -57.3015 -41.0026 -10.5113 -9.51796 -10.5113 -8.49685 GPRESSAVG: 1523600 47.1896 -59.9906 -10.0165 -55.8379 -40.4799 -13.7321 -8.0426 -10.8654 -7.82067 TIMING: 1523600 CPU: 4759.07, 0.00311964/step Wall: 4759.07, 0.00311964/step, 3.01253 hours remaining, 235.023438 MB of memory in use. ENERGY: 1523600 4033.1511 20532.6785 14346.4894 247.0744 -203689.1321 2816.4378 0.0000 0.0000 52225.3545 -109487.9464 300.1398 -161713.3010 -109134.0086 298.9830 160.3946 185.9745 759823.2084 -0.3350 -0.3703 PRESSURE: 1523800 53.6696 36.3535 3.99273 36.3528 100.653 -104.81 3.99275 -104.81 -82.4784 GPRESSURE: 1523800 60.5992 -71.1713 63.1451 -62.4673 137.745 -145.569 -23.5641 -47.1715 -25.3106 PRESSAVG: 1523800 -35.9833 10.7016 -10.7267 10.7016 19.6087 -51.6861 -10.7267 -51.686 2.30546 GPRESSAVG: 1523800 -35.6168 12.0451 -9.71647 10.2262 19.609 -50.825 -13.7275 -52.5935 2.06419 TIMING: 1523800 CPU: 4759.7, 0.00311211/step Wall: 4759.7, 0.00311211/step, 3.00509 hours remaining, 235.023438 MB of memory in use. ENERGY: 1523800 3969.5627 20433.2046 14472.2311 250.3014 -203252.6729 2506.7357 0.0000 0.0000 52017.2262 -109603.4111 298.9437 -161620.6373 -109238.9121 298.5497 23.9482 57.6778 760626.5885 -4.6897 -4.6479 PRESSURE: 1524000 -277.166 141.501 -195.645 141.502 -244.753 271.038 -195.646 271.038 -6.36715 GPRESSURE: 1524000 -294.309 169.511 -228.594 148.486 -210.713 255.445 -119.848 76.095 66.8244 PRESSAVG: 1524000 10.3221 10.6365 -32.3948 10.6365 -1.86244 -25.7907 -32.3948 -25.7906 18.964 GPRESSAVG: 1524000 10.1906 11.0344 -33.3359 9.87291 -2.53587 -26.8362 -30.4486 -22.8355 19.6874 TIMING: 1524000 CPU: 4760.32, 0.0031301/step Wall: 4760.32, 0.0031301/step, 3.02228 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1524000 4006.6970 20455.8786 14429.9540 253.3502 -203149.0675 2619.1916 0.0000 0.0000 52071.6209 -109312.3752 299.2563 -161383.9960 -108959.2500 298.5950 -176.0955 -146.0659 760570.9001 9.1412 9.1141 PRESSURE: 1524200 -57.0192 -155.178 -309.032 -155.178 -331.335 162.922 -309.033 162.922 -59.181 GPRESSURE: 1524200 86.5899 -70.0092 -271.774 -174.523 -340.647 217.631 -241.724 -13.856 -113.567 PRESSAVG: 1524200 -33.7153 34.5898 -0.588413 34.5899 36.4887 5.88139 -0.588346 5.88143 -2.16574 GPRESSAVG: 1524200 -33.8537 33.8609 0.254792 33.4452 38.2467 6.17475 -0.18593 4.98928 -3.92059 TIMING: 1524200 CPU: 4760.95, 0.00311968/step Wall: 4760.95, 0.00311968/step, 3.01205 hours remaining, 235.023438 MB of memory in use. ENERGY: 1524200 4045.3990 20444.0338 14462.7967 247.1200 -203225.6093 2701.5972 0.0000 0.0000 51935.9623 -109388.7003 298.4767 -161324.6627 -109030.3402 299.2196 -149.1785 -122.5416 762818.3554 0.2026 0.1575 LDB: ============= START OF LOAD BALANCING ============== 4773.43 LDB: ============== END OF LOAD BALANCING =============== 4773.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4773.43 LDB: ============= START OF LOAD BALANCING ============== 4773.74 LDB: Largest compute 6988 load 0.029332 is 15.0% of average load 0.195145 LDB: Average compute 0.004372 is 2.2% of average load 0.195145 LDB: TIME 4773.74 LOAD: AVG 0.195145 MAX 0.215043 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.66 MB LDB: TIME 4773.74 LOAD: AVG 0.195145 MAX 0.215043 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.66 MB LDB: TIME 4773.74 LOAD: AVG 0.195145 MAX 0.215043 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.66 MB LDB: ============== END OF LOAD BALANCING =============== 4773.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4773.75 PRESSURE: 1524400 274.514 99.6066 -184.622 99.606 -114.714 120.155 -184.622 120.156 283.197 GPRESSURE: 1524400 280.748 51.5086 -173.222 66.0956 11.2572 175.337 -109.8 89.6305 227.465 PRESSAVG: 1524400 -23.7044 -26.0696 -25.4541 -26.0695 21.952 -16.1233 -25.454 -16.1232 -3.63266 GPRESSAVG: 1524400 -23.0643 -26.6562 -26.1284 -24.5268 21.2623 -16.0065 -26.4495 -17.7362 -3.06279 TIMING: 1524400 CPU: 4761.59, 0.00319514/step Wall: 4761.59, 0.00319514/step, 3.08473 hours remaining, 235.082031 MB of memory in use. ENERGY: 1524400 4022.3215 20504.9144 14380.2863 249.3441 -203378.6395 2737.1045 0.0000 0.0000 51820.1576 -109664.5110 297.8112 -161484.6686 -109298.1127 298.4822 147.6659 173.1570 761580.5507 -1.7950 -1.6216 PRESSURE: 1524600 -13.07 -34.5645 95.6141 -34.5643 -199.859 22.0946 95.6135 22.0942 -159.539 GPRESSURE: 1524600 26.0968 36.5684 151.79 -84.3444 -131.426 3.47505 87.1935 -16.3119 -172.739 PRESSAVG: 1524600 53.7784 -40.0596 -20.0199 -40.0596 -5.44865 -2.87499 -20.0199 -2.875 -10.5807 GPRESSAVG: 1524600 53.8536 -39.4697 -19.4499 -40.9231 -5.48915 -2.01038 -20.7689 -1.87726 -10.5104 TIMING: 1524600 CPU: 4762.21, 0.00312305/step Wall: 4762.21, 0.00312305/step, 3.01495 hours remaining, 235.082031 MB of memory in use. ENERGY: 1524600 4021.8661 20434.4488 14405.1028 251.9653 -203243.6180 2627.0558 0.0000 0.0000 52114.7735 -109388.4057 299.5043 -161503.1792 -109016.7258 298.7184 -124.1559 -92.6891 763433.1506 12.5830 12.6180 PRESSURE: 1524800 104.982 188.387 297.7 188.388 -309.242 97.6745 297.701 97.6752 27.6758 GPRESSURE: 1524800 51.7631 51.6033 307.53 111.907 -235.149 121.688 372.212 147.879 74.5618 PRESSAVG: 1524800 20.1956 -40.1363 8.36046 -40.1363 -21.4957 0.431042 8.36046 0.431056 10.2565 GPRESSAVG: 1524800 20.0358 -41.1498 8.88432 -38.1978 -21.6447 0.624071 8.14742 0.44319 10.7757 TIMING: 1524800 CPU: 4762.84, 0.00313095/step Wall: 4762.84, 0.00313095/step, 3.02241 hours remaining, 235.082031 MB of memory in use. ENERGY: 1524800 4038.3867 20568.4977 14365.1042 271.8163 -202992.9734 2539.5756 0.0000 0.0000 52094.0702 -109115.5226 299.3853 -161209.5927 -108750.6814 299.1952 -58.8617 -36.2747 763147.0748 2.9854 3.0556 PRESSURE: 1525000 -123.719 159.788 263.044 159.788 -277.461 35.0656 263.044 35.0666 -347.322 GPRESSURE: 1525000 -121.616 67.7416 277.419 173.66 -113.788 21.2605 244.883 35.0358 -417.668 PRESSAVG: 1525000 28.627 9.32725 -20.9046 9.32734 29.1153 -62.8993 -20.9046 -62.8993 -9.93668 GPRESSAVG: 1525000 28.4121 8.77866 -20.8096 8.45862 29.5052 -63.2547 -21.0088 -63.3449 -9.76683 TIMING: 1525000 CPU: 4763.46, 0.00312719/step Wall: 4763.46, 0.00312719/step, 3.01861 hours remaining, 235.082031 MB of memory in use. ENERGY: 1525000 4004.8445 20436.0027 14413.1701 257.1732 -202714.3613 2468.7397 0.0000 0.0000 52166.5082 -108967.9229 299.8016 -161134.4311 -108603.2175 299.6226 -249.5006 -217.6904 762370.4088 15.9352 16.0502 PRESSURE: 1525200 356.758 -16.5906 -59.1934 -16.5911 285.244 -144.211 -59.1939 -144.211 219.893 GPRESSURE: 1525200 371.7 -75.796 -108.188 -79.134 300.08 -93.0272 66.0529 -98.9982 257.945 PRESSAVG: 1525200 -39.1698 -11.1113 26.1608 -11.1113 24.6134 3.18629 26.1609 3.18624 -0.353898 GPRESSAVG: 1525200 -38.7639 -11.7508 25.251 -9.49327 24.2664 2.99989 29.3805 2.50218 -0.562259 TIMING: 1525200 CPU: 4764.09, 0.00311903/step Wall: 4764.09, 0.00311903/step, 3.01056 hours remaining, 235.082031 MB of memory in use. ENERGY: 1525200 3958.8900 20645.8529 14469.6863 246.2824 -203204.2006 2709.0950 0.0000 0.0000 52293.5535 -108880.8405 300.5318 -161174.3941 -108525.5150 300.0816 287.2985 309.9084 760333.9744 -4.9701 -5.0199 PRESSURE: 1525400 -293.909 -8.98462 111.171 -8.98479 227.619 -53.6182 111.171 -53.6187 73.7755 GPRESSURE: 1525400 -243.894 127.207 50.9502 -117.738 207.991 52.8014 2.61345 -37.4529 129.534 PRESSAVG: 1525400 26.7002 -46.0638 29.01 -46.0638 14.8346 -19.3043 29.0101 -19.3043 26.2488 GPRESSAVG: 1525400 26.7768 -45.9495 28.6488 -46.1895 14.6173 -18.302 26.3174 -18.1097 26.941 TIMING: 1525400 CPU: 4764.71, 0.00310558/step Wall: 4764.71, 0.00310558/step, 2.9974 hours remaining, 235.082031 MB of memory in use. ENERGY: 1525400 3932.5066 20553.5182 14475.0275 247.3657 -202827.2156 2680.1297 0.0000 0.0000 51949.4232 -108989.2446 298.5540 -160938.6678 -108633.0714 299.8068 2.4954 31.2103 762243.9114 22.5946 22.7783 PRESSURE: 1525600 -169.218 146.686 59.2488 146.686 327.341 12.3018 59.249 12.3019 310.101 GPRESSURE: 1525600 -40.3976 166.618 59.422 37.2413 311.959 6.63175 -22.5971 -52.5332 278.794 PRESSAVG: 1525600 -63.472 -3.07759 -43.2123 -3.07759 -3.7358 0.956536 -43.2123 0.956599 -6.24815 GPRESSAVG: 1525600 -63.5529 -0.386678 -42.8441 -5.70109 -4.26228 -0.151911 -42.6361 0.510833 -5.92761 TIMING: 1525600 CPU: 4765.33, 0.00311151/step Wall: 4765.33, 0.00311151/step, 3.00295 hours remaining, 235.082031 MB of memory in use. ENERGY: 1525600 3985.4549 20370.5355 14385.9195 244.4347 -202691.6030 2687.1188 0.0000 0.0000 51990.1494 -109027.9903 298.7881 -161018.1397 -108671.9353 299.1267 156.0748 183.4519 764407.7991 -24.4853 -24.5809 PRESSURE: 1525800 -107.852 5.13703 76.2395 5.13735 -169.017 26.4304 76.2405 26.4299 130.248 GPRESSURE: 1525800 -57.9346 87.3518 26.216 93.8247 -110.55 62.5254 65.9603 53.2801 119.503 PRESSAVG: 1525800 -66.3458 41.1558 -14.9619 41.1557 61.5097 -12.9849 -14.9618 -12.9849 17.9462 GPRESSAVG: 1525800 -65.4096 39.2681 -14.2816 44.433 60.1746 -13.6934 -14.9554 -12.9211 18.0505 TIMING: 1525800 CPU: 4765.95, 0.0031162/step Wall: 4765.95, 0.0031162/step, 3.0073 hours remaining, 235.082031 MB of memory in use. ENERGY: 1525800 3924.3212 20571.7025 14412.4849 245.6779 -202876.6201 2678.8261 0.0000 0.0000 52173.9493 -108869.6582 299.8444 -161043.6075 -108501.1903 299.7303 -48.8737 -16.3271 763415.3747 4.3700 4.2718 PRESSURE: 1526000 -164.153 -85.0326 -100.531 -85.0329 -36.5504 -20.5318 -100.53 -20.5313 -161.295 GPRESSURE: 1526000 -144.573 -112.077 -43.4327 -148.795 77.3741 34.308 -161.909 -180.103 -197.174 PRESSAVG: 1526000 -2.22329 -36.41 -8.0569 -36.41 -4.58463 31.472 -8.0569 31.472 -3.82834 GPRESSAVG: 1526000 -3.57391 -37.0539 -9.55899 -39.1105 -2.81707 33.7068 -6.41563 29.1719 -4.11745 TIMING: 1526000 CPU: 4766.57, 0.00310981/step Wall: 4766.57, 0.00310981/step, 3.00097 hours remaining, 235.082031 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: 1526000 4075.4986 20570.0982 14334.1023 249.7810 -202922.2805 2627.2074 0.0000 0.0000 52134.1800 -108931.4129 299.6158 -161065.5929 -108574.2982 299.9692 -120.6663 -88.1243 762482.5382 -3.5454 -3.5028 PRESSURE: 1526200 14.6794 20.8687 101.18 20.8693 388.513 163.091 101.18 163.091 82.7624 GPRESSURE: 1526200 125.686 120.505 61.3657 65.6177 456.212 26.4363 112.448 245.576 -2.97412 PRESSAVG: 1526200 41.0033 -43.9387 15.3082 -43.9387 -36.2894 23.0997 15.3082 23.0997 -13.1027 GPRESSAVG: 1526200 40.8022 -43.1483 16.0742 -43.0859 -35.0575 20.4945 15.4398 25.2769 -14.3671 TIMING: 1526200 CPU: 4767.2, 0.00313506/step Wall: 4767.2, 0.00313506/step, 3.02515 hours remaining, 235.082031 MB of memory in use. ENERGY: 1526200 4001.7549 20439.6825 14462.7018 253.5408 -202895.5253 2700.8410 0.0000 0.0000 52264.9152 -108772.0890 300.3672 -161037.0041 -108408.4884 299.6945 161.9848 192.9745 761254.9952 -2.7962 -2.8741 PRESSURE: 1526400 166.369 -20.1226 -39.1339 -20.1224 23.2759 -70.281 -39.1348 -70.2808 246.119 GPRESSURE: 1526400 220.396 -19.5739 3.01251 -4.89787 68.0868 -64.6778 -33.6595 -27.2615 217.748 PRESSAVG: 1526400 13.1156 -23.4535 -21.235 -23.4536 -30.7686 -5.35526 -21.2351 -5.35523 -18.1923 GPRESSAVG: 1526400 14.0168 -22.5809 -21.4997 -23.8596 -34.0178 -2.96549 -22.4313 -4.45294 -16.5174 TIMING: 1526400 CPU: 4767.83, 0.00312397/step Wall: 4767.83, 0.00312396/step, 3.01428 hours remaining, 235.082031 MB of memory in use. ENERGY: 1526400 4056.9328 20677.4790 14464.7759 256.2058 -203164.3793 2832.4342 0.0000 0.0000 52160.2854 -108716.2662 299.7659 -160876.5515 -108363.7589 300.5240 145.2546 168.7438 760430.1520 -11.9484 -12.1728 PRESSURE: 1526600 49.9813 72.0012 -27.5926 72.0005 -58.9067 147.372 -27.593 147.373 53.8004 GPRESSURE: 1526600 -19.6166 5.44844 8.59762 115.379 59.2814 152.902 -16.2257 13.2057 94.7697 PRESSAVG: 1526600 66.7285 12.8506 -9.3363 12.8506 -11.644 27.8817 -9.33627 27.8816 9.12489 GPRESSAVG: 1526600 65.962 11.0834 -8.63511 13.8814 -10.2135 27.8023 -8.19445 26.1154 8.4671 TIMING: 1526600 CPU: 4768.45, 0.00312689/step Wall: 4768.45, 0.00312689/step, 3.01693 hours remaining, 235.082031 MB of memory in use. ENERGY: 1526600 3949.2065 20411.7756 14439.9479 239.4815 -203089.0471 2897.3308 0.0000 0.0000 52300.7966 -108850.5082 300.5734 -161151.3048 -108492.9165 300.2692 14.9583 44.8115 761347.8307 21.4031 21.4052 PRESSURE: 1526800 -78.0953 -57.1536 35.2627 -57.1536 185.067 -73.5757 35.2623 -73.5765 72.956 GPRESSURE: 1526800 -30.6355 -66.5556 62.5902 -110.537 254.096 -91.9735 -80.229 -46.9619 15.9114 PRESSAVG: 1526800 35.0138 8.10613 -13.431 8.10615 -11.4964 -0.185939 -13.431 -0.185932 9.4245 GPRESSAVG: 1526800 33.8973 8.28907 -14.6927 7.98458 -11.151 0.116398 -15.706 -1.25773 9.36481 TIMING: 1526800 CPU: 4769.08, 0.00313133/step Wall: 4769.08, 0.00313133/step, 3.02104 hours remaining, 235.082031 MB of memory in use. ENERGY: 1526800 3960.9259 20588.2814 14435.9294 252.6499 -203250.7815 2970.0645 0.0000 0.0000 52155.9172 -108887.0132 299.7408 -161042.9303 -108521.2036 300.5168 59.9758 79.7907 762643.5717 10.9806 10.7037 PRESSURE: 1527000 -191.17 150.785 106.791 150.784 88.9395 222.91 106.791 222.91 350.782 GPRESSURE: 1527000 -132.475 47.6391 123.941 118.734 134.917 133.336 98.496 237.849 339.618 PRESSAVG: 1527000 -50.0124 -25.9623 -10.6034 -25.9624 54.0374 -45.624 -10.6034 -45.624 4.34878 GPRESSAVG: 1527000 -49.4907 -24.9596 -9.11486 -26.681 54.4159 -46.33 -9.55914 -46.0288 3.40896 TIMING: 1527000 CPU: 4769.7, 0.00313204/step Wall: 4769.7, 0.00313204/step, 3.02155 hours remaining, 235.082031 MB of memory in use. ENERGY: 1527000 3872.8204 20508.6402 14483.3311 240.8259 -203109.3726 2762.5632 0.0000 0.0000 52220.5839 -109020.6079 300.1124 -161241.1918 -108657.0176 300.0221 82.8506 114.0200 761812.5341 2.7912 2.7781 PRESSURE: 1527200 60.746 35.0347 49.1276 35.0349 202.553 -69.0421 49.1274 -69.0405 367.298 GPRESSURE: 1527200 87.1514 -43.0815 72.59 0.721184 243.787 -141.377 76.2672 -68.3938 365.396 PRESSAVG: 1527200 -21.0733 25.275 -3.39699 25.275 -13.8342 -7.6538 -3.39697 -7.65386 -0.690556 GPRESSAVG: 1527200 -20.5872 24.7741 -2.97134 24.4349 -13.5775 -7.98878 -3.50448 -7.04707 -1.51238 TIMING: 1527200 CPU: 4770.33, 0.00311967/step Wall: 4770.33, 0.00311967/step, 3.00944 hours remaining, 235.082031 MB of memory in use. ENERGY: 1527200 3903.4805 20594.0730 14451.9773 253.4874 -203244.7435 2915.6320 0.0000 0.0000 52033.9502 -109092.1431 299.0398 -161126.0933 -108727.1320 299.8982 210.1988 232.1115 762028.7708 -11.8660 -11.8923 PRESSURE: 1527400 183.995 -69.3799 167.098 -69.3796 155.958 109.821 167.098 109.822 99.7946 GPRESSURE: 1527400 307.097 -117.109 162.433 -11.5798 132.106 92.6486 107.545 56.3179 57.1151 PRESSAVG: 1527400 -18.0423 -8.26472 -24.5723 -8.26474 17.5933 34.9867 -24.5723 34.9867 12.4272 GPRESSAVG: 1527400 -17.8881 -7.7961 -25.8558 -7.28913 15.9267 35.8707 -24.4002 35.0617 13.7128 TIMING: 1527400 CPU: 4770.95, 0.00313077/step Wall: 4770.95, 0.00313077/step, 3.01998 hours remaining, 235.082031 MB of memory in use. ENERGY: 1527400 3957.8887 20507.5695 14439.2739 235.9392 -202978.4657 2680.6258 0.0000 0.0000 52104.4786 -109052.6899 299.4452 -161157.1686 -108687.1457 300.0085 146.5825 165.4392 762477.2391 3.9927 3.9171 PRESSURE: 1527600 -424.588 -34.868 112.532 -34.8679 -6.5675 175.548 112.533 175.548 73.1238 GPRESSURE: 1527600 -341.763 -75.8431 78.7151 -17.9995 2.80735 186.041 108.45 143.177 67.7499 PRESSAVG: 1527600 2.20077 5.10856 22.1474 5.10862 -2.86757 17.1824 22.1474 17.1824 17.0959 GPRESSAVG: 1527600 2.4288 4.79472 21.581 5.20616 -2.00825 17.774 22.3421 15.2174 16.2692 TIMING: 1527600 CPU: 4771.58, 0.00314003/step Wall: 4771.58, 0.00314003/step, 3.02873 hours remaining, 235.082031 MB of memory in use. ENERGY: 1527600 3888.5321 20440.1326 14451.7553 240.1839 -202713.4897 2384.9048 0.0000 0.0000 52132.8881 -109175.0930 299.6084 -161307.9811 -108801.8863 299.5444 -119.3440 -90.4018 762530.9428 5.4764 5.5633 PRESSURE: 1527800 -153.444 32.0755 -204.025 32.0754 -274.457 -22.1579 -204.024 -22.1579 14.5792 GPRESSURE: 1527800 -74.0064 -44.4108 -248.774 43.9419 -200.315 22.3164 -202.056 43.2995 -64.2098 PRESSAVG: 1527800 15.9797 -27.5853 -9.34573 -27.5853 9.96047 0.912261 -9.34576 0.912277 11.8595 GPRESSAVG: 1527800 15.3084 -27.6076 -9.85246 -28.6276 9.85528 -1.93478 -10.1208 3.38693 13.1606 TIMING: 1527800 CPU: 4772.21, 0.00311548/step Wall: 4772.21, 0.00311548/step, 3.00488 hours remaining, 235.082031 MB of memory in use. ENERGY: 1527800 3982.8542 20557.2024 14448.2539 237.2167 -203231.9290 2624.1840 0.0000 0.0000 52173.5082 -109208.7095 299.8419 -161382.2177 -108841.5544 299.5664 -137.7738 -112.8438 763278.3590 12.5999 12.7748 PRESSURE: 1528000 -20.5342 7.61061 191.469 7.60984 -125.326 31.1567 191.468 31.1564 279.191 GPRESSURE: 1528000 -18.2553 99.9773 229.995 -68.579 -33.0284 -46.6036 178.219 33.2304 268.768 PRESSAVG: 1528000 -47.198 -15.9441 -25.4564 -15.9442 17.3376 43.5077 -25.4563 43.5076 -7.84739 GPRESSAVG: 1528000 -46.9527 -15.6725 -24.8209 -16.3098 17.2218 44.0358 -24.1 43.1222 -8.23398 TIMING: 1528000 CPU: 4772.83, 0.00311586/step Wall: 4772.83, 0.00311586/step, 3.00508 hours remaining, 235.082031 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: 1528000 3976.3164 20556.1796 14409.9489 230.6325 -203246.3906 2807.7966 0.0000 0.0000 51959.8247 -109305.6919 298.6138 -161265.5166 -108959.1108 299.4134 44.4435 72.4948 761459.2604 -12.5692 -12.6550 PRESSURE: 1528200 225.502 204.266 -0.924187 204.266 149.593 114.469 -0.924317 114.469 173.073 GPRESSURE: 1528200 169.17 180.983 30.0727 223.347 97.2996 157.539 68.6372 162.246 347.865 PRESSAVG: 1528200 -34.1873 32.4679 -26.1903 32.468 18.8059 -23.4035 -26.1903 -23.4034 37.1614 GPRESSAVG: 1528200 -35.9814 30.5783 -27.7127 35.1101 19.1237 -21.3583 -25.1934 -23.2247 38.5393 TIMING: 1528200 CPU: 4773.45, 0.00310794/step Wall: 4773.45, 0.00310794/step, 2.99726 hours remaining, 235.082031 MB of memory in use. ENERGY: 1528200 3942.3063 20633.7738 14463.6934 243.1780 -203152.2340 2653.3526 0.0000 0.0000 51941.4090 -109274.5209 298.5080 -161215.9299 -108919.3521 299.9168 182.7226 204.7781 760545.1480 7.2600 7.2272 LDB: ============= START OF LOAD BALANCING ============== 4785.93 LDB: ============== END OF LOAD BALANCING =============== 4785.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4785.93 LDB: ============= START OF LOAD BALANCING ============== 4786.24 LDB: Largest compute 7007 load 0.029979 is 15.4% of average load 0.195086 LDB: Average compute 0.004384 is 2.2% of average load 0.195086 LDB: TIME 4786.24 LOAD: AVG 0.195086 MAX 0.213731 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.312 MB LDB: TIME 4786.24 LOAD: AVG 0.195086 MAX 0.213731 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.312 MB LDB: TIME 4786.24 LOAD: AVG 0.195086 MAX 0.213731 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.312 MB LDB: ============== END OF LOAD BALANCING =============== 4786.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4786.25 PRESSURE: 1528400 -48.7522 127.099 76.7866 127.099 61.1783 51.3573 76.787 51.358 -214.661 GPRESSURE: 1528400 -61.603 64.9119 116.664 73.7274 159.446 15.5534 -5.97256 -131.736 -201.487 PRESSAVG: 1528400 -39.0816 -44.2022 -10.705 -44.2021 29.9143 -26.8959 -10.705 -26.8959 -21.7338 GPRESSAVG: 1528400 -37.6949 -44.4241 -8.15916 -45.8482 29.4019 -28.5739 -13.6752 -26.7951 -22.0615 TIMING: 1528400 CPU: 4774.08, 0.00317477/step Wall: 4774.08, 0.00317477/step, 3.06154 hours remaining, 234.253906 MB of memory in use. ENERGY: 1528400 4133.4471 20373.5909 14378.4783 258.2434 -203001.8787 2621.1267 0.0000 0.0000 52294.6163 -108942.3761 300.5379 -161236.9924 -108572.8679 299.7019 -67.4117 -34.5480 762143.6900 -10.3004 -10.1182 PRESSURE: 1528600 288.73 -84.4644 -107.633 -84.4642 -99.2305 -218.36 -107.632 -218.36 81.4752 GPRESSURE: 1528600 233.895 -71.5745 -71.8272 -52.6874 -25.9438 -300.838 -131.518 -156.736 145.311 PRESSAVG: 1528600 -8.72245 -31.5811 -0.617574 -31.5811 -0.0192583 7.19496 -0.617462 7.19507 -22.6915 GPRESSAVG: 1528600 -7.24476 -29.0304 -2.46812 -32.4495 0.41672 8.21625 -0.547381 6.81587 -24.3481 TIMING: 1528600 CPU: 4774.71, 0.00311926/step Wall: 4774.71, 0.00311926/step, 3.00783 hours remaining, 234.457031 MB of memory in use. ENERGY: 1528600 3932.9930 20460.7148 14356.2164 239.5590 -203621.3619 3033.4869 0.0000 0.0000 52470.0335 -109128.3584 301.5460 -161598.3918 -108764.1279 300.0008 90.3248 117.7540 761371.3832 -10.4777 -10.3921 PRESSURE: 1528800 -75.4904 -124.601 124.527 -124.601 -190.609 -207.224 124.528 -207.224 -115.177 GPRESSURE: 1528800 -19.7968 -91.8191 158.487 -138.383 -121.171 -284.361 197.848 -200.799 -157.337 PRESSAVG: 1528800 7.89662 -34.4563 64.2033 -34.4563 -56.919 -19.3164 64.2032 -19.3164 5.30008 GPRESSAVG: 1528800 6.82272 -36.2004 63.66 -33.9011 -56.8118 -18.8276 64.97 -20.5591 5.6618 TIMING: 1528800 CPU: 4775.33, 0.00312456/step Wall: 4775.33, 0.00312456/step, 3.01277 hours remaining, 234.457031 MB of memory in use. ENERGY: 1528800 3923.9249 20404.1589 14446.8571 238.4462 -203358.6324 2834.6627 0.0000 0.0000 52186.5984 -109323.9841 299.9171 -161510.5826 -108956.7667 299.5186 -127.0919 -99.4349 762827.6145 -14.5741 -14.7758 PRESSURE: 1529000 23.1903 98.3818 -108.222 98.3818 69.6534 46.5795 -108.222 46.5796 79.7509 GPRESSURE: 1529000 31.0492 136.442 -78.2731 88.03 67.6734 142.699 45.1617 79.7084 146.124 PRESSAVG: 1529000 28.6225 -4.96695 -25.374 -4.96703 -10.6803 24.0491 -25.3741 24.0492 -6.08996 GPRESSAVG: 1529000 28.2959 -4.32848 -23.8335 -6.49006 -11.4796 22.5583 -24.4456 26.662 -5.02397 TIMING: 1529000 CPU: 4775.96, 0.00313144/step Wall: 4775.96, 0.00313144/step, 3.01923 hours remaining, 234.457031 MB of memory in use. ENERGY: 1529000 3948.0224 20334.0548 14473.9548 248.5935 -203213.3634 2701.6807 0.0000 0.0000 52153.6705 -109353.3868 299.7279 -161507.0572 -108992.1152 299.3596 57.5315 81.6155 761034.0958 3.9507 3.9308 PRESSURE: 1529200 274.413 -269.758 -131.291 -269.758 -342.766 49.5156 -131.29 49.5167 -36.644 GPRESSURE: 1529200 297.314 -184.727 -145.805 -183.117 -237.143 103.483 -102.046 65.6671 -92.132 PRESSAVG: 1529200 22.4054 -10.0073 -18.7355 -10.0074 -35.437 -19.1099 -18.7355 -19.1099 -9.32758 GPRESSAVG: 1529200 21.9589 -10.0926 -18.2283 -8.34125 -34.523 -18.7382 -20.2458 -19.2731 -9.60232 TIMING: 1529200 CPU: 4776.58, 0.00311935/step Wall: 4776.58, 0.00311935/step, 3.0074 hours remaining, 234.457031 MB of memory in use. ENERGY: 1529200 3933.5379 20464.4732 14478.2915 262.2232 -203083.6332 2491.1421 0.0000 0.0000 51947.9176 -109506.0476 298.5454 -161453.9652 -109143.8791 299.2390 -34.9989 -10.6537 762331.7666 -7.4531 -7.3888 PRESSURE: 1529400 -366.319 -59.9688 -78.3344 -59.9686 -232.438 19.6871 -78.3337 19.6871 -52.4909 GPRESSURE: 1529400 -225.867 -196.722 1.00664 -120.221 -233.646 4.93845 -93.3865 44.7784 -92.1 PRESSAVG: 1529400 48.2704 -13.0602 -18.1794 -13.0601 -52.5003 13.8029 -18.1793 13.8028 0.418565 GPRESSAVG: 1529400 50.5966 -14.8334 -19.9529 -13.8197 -53.9069 14.104 -17.6687 12.8206 -0.521379 TIMING: 1529400 CPU: 4777.21, 0.003129/step Wall: 4777.21, 0.003129/step, 3.01653 hours remaining, 234.457031 MB of memory in use. ENERGY: 1529400 3971.8153 20534.7184 14462.5094 259.0740 -203415.9212 2618.4677 0.0000 0.0000 52020.3302 -109549.0063 298.9616 -161569.3365 -109184.5010 298.7419 -217.0827 -183.8710 762000.0238 -1.2705 -1.2772 PRESSURE: 1529600 247.59 -15.7231 0.889287 -15.7225 227.669 -23.0003 0.889066 -23.0017 -108.745 GPRESSURE: 1529600 335.832 -139.562 -33.1488 -59.7775 215.793 -43.3004 214.283 47.5035 -96.8324 PRESSAVG: 1529600 49.6061 -17.0375 -4.97927 -17.0374 -34.5236 -34.7643 -4.97927 -34.7643 2.64877 GPRESSAVG: 1529600 48.547 -14.7936 -4.74527 -16.1321 -33.5377 -33.7111 -4.77668 -34.6947 3.56335 TIMING: 1529600 CPU: 4777.84, 0.00313471/step Wall: 4777.84, 0.00313471/step, 3.02186 hours remaining, 234.457031 MB of memory in use. ENERGY: 1529600 4026.3988 20339.8474 14371.3087 225.5000 -203851.8145 3040.7634 0.0000 0.0000 52215.6350 -109632.3612 300.0840 -161847.9962 -109264.5862 299.0084 122.1713 151.5975 759082.6518 5.9104 6.1909 PRESSURE: 1529800 -25.5264 76.8583 74.0472 76.8584 388.467 355.069 74.0475 355.069 285.42 GPRESSURE: 1529800 -28.0923 62.9125 42.1823 116.089 448.891 310.153 60.7174 156.194 324.022 PRESSAVG: 1529800 -31.5546 -55.5327 -15.4935 -55.5327 69.0975 -31.3954 -15.4935 -31.3953 -21.7998 GPRESSAVG: 1529800 -31.2065 -54.8297 -16.0361 -55.6819 69.1975 -31.2861 -15.967 -33.6586 -21.8092 TIMING: 1529800 CPU: 4778.46, 0.00311014/step Wall: 4778.46, 0.00311014/step, 2.998 hours remaining, 234.457031 MB of memory in use. ENERGY: 1529800 3923.8044 20465.6680 14465.4513 239.4659 -203249.9532 2630.3335 0.0000 0.0000 52049.0217 -109476.2084 299.1264 -161525.2300 -109116.1771 298.8401 216.1201 248.2738 762730.7094 5.2477 5.3939 PRESSURE: 1530000 -155.623 -115.587 -195.265 -115.587 -175.449 153.343 -195.264 153.343 -57.4134 GPRESSURE: 1530000 -155.591 -67.3397 -170.398 -80.4248 -62.8799 74.2472 -164.919 120.666 -113.126 PRESSAVG: 1530000 -68.8592 -40.4944 -53.0405 -40.4944 65.534 -27.6287 -53.0405 -27.6287 15.8085 GPRESSAVG: 1530000 -69.2895 -42.2921 -51.6237 -39.7373 66.4615 -30.3308 -52.0558 -26.3368 15.1822 TIMING: 1530000 CPU: 4779.08, 0.00311709/step Wall: 4779.08, 0.00311709/step, 3.00453 hours remaining, 234.457031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1530000 3938.2751 20596.5379 14376.7844 225.5915 -203245.4933 2560.5641 0.0000 0.0000 51902.7361 -109645.0042 298.2857 -161547.7403 -109284.9357 298.8280 -129.4952 -110.5321 762177.4188 4.1611 4.1181 PRESSURE: 1530200 191.906 -280.974 205.08 -280.974 261.335 -3.32811 205.08 -3.32907 -146.701 GPRESSURE: 1530200 269.744 -267.128 213.746 -255.219 195.183 47.5403 149.99 35.523 -85.0788 PRESSAVG: 1530200 -12.0663 -2.58323 -11.9015 -2.58319 4.70458 -25.6202 -11.9015 -25.6202 4.50454 GPRESSAVG: 1530200 -11.2148 -2.5301 -12.6516 -3.36866 3.01579 -24.5577 -12.2531 -25.2782 5.78705 TIMING: 1530200 CPU: 4779.71, 0.00312341/step Wall: 4779.71, 0.00312341/step, 3.01044 hours remaining, 234.457031 MB of memory in use. ENERGY: 1530200 3914.2567 20442.7173 14405.8961 240.3541 -203552.5263 2833.1356 0.0000 0.0000 52216.5265 -109499.6401 300.0891 -161716.1665 -109134.5645 298.8918 102.1798 126.6159 761332.4080 -0.9524 -0.8040 PRESSURE: 1530400 -55.7994 -13.7322 -252.003 -13.7327 -349.698 88.5253 -252.003 88.5264 -302.349 GPRESSURE: 1530400 -46.9352 -52.7254 -187.222 17.7249 -301.047 107.927 -280.897 22.9261 -271.356 PRESSAVG: 1530400 -23.5852 -53.2423 -13.9475 -53.2422 77.516 -25.9686 -13.9475 -25.9686 4.73795 GPRESSAVG: 1530400 -22.8119 -52.7892 -13.146 -53.5068 76.8459 -25.5656 -14.8432 -27.1369 4.48937 TIMING: 1530400 CPU: 4780.33, 0.00312266/step Wall: 4780.33, 0.00312266/step, 3.00955 hours remaining, 234.457031 MB of memory in use. ENERGY: 1530400 3920.2228 20544.4887 14322.7650 242.6977 -203257.4648 2534.8804 0.0000 0.0000 52153.0571 -109539.3531 299.7243 -161692.4102 -109181.9438 299.3296 -235.9488 -206.4462 762003.8088 19.5563 19.5078 PRESSURE: 1530600 85.1259 43.9548 -120.168 43.9539 193.106 -46.3073 -120.168 -46.3087 -30.8748 GPRESSURE: 1530600 94.2866 17.6461 -80.8498 95.0485 297.337 9.83497 -8.52193 -46.833 -80.3644 PRESSAVG: 1530600 -2.22698 32.3591 12.5156 32.3591 -1.03073 15.6494 12.5156 15.6494 4.77997 GPRESSAVG: 1530600 -3.41679 31.7957 13.2245 32.2827 0.0879237 15.6746 14.2666 14.9977 4.96442 TIMING: 1530600 CPU: 4780.95, 0.00311584/step Wall: 4780.95, 0.00311584/step, 3.0028 hours remaining, 234.457031 MB of memory in use. ENERGY: 1530600 3905.9135 20483.2950 14373.4849 229.5356 -203167.8392 2613.7259 0.0000 0.0000 51847.8852 -109713.9990 297.9705 -161561.8842 -109346.8933 298.5255 82.4524 103.7532 761463.6694 0.5074 0.5452 PRESSURE: 1530800 299.514 -156.206 -66.2742 -156.206 215.124 -101.977 -66.2746 -101.977 470.318 GPRESSURE: 1530800 448.653 -166.104 18.5482 -102.957 160.883 -10.0147 -17.4756 -54.7567 471.285 PRESSAVG: 1530800 -25.2208 1.18691 11.0692 1.18691 20.8489 -28.5397 11.0692 -28.5397 -11.5953 GPRESSAVG: 1530800 -23.9723 1.40825 8.75897 1.0551 20.0199 -28.0525 10.1109 -28.254 -11.458 TIMING: 1530800 CPU: 4781.57, 0.00310012/step Wall: 4781.57, 0.00310012/step, 2.98748 hours remaining, 234.457031 MB of memory in use. ENERGY: 1530800 3923.5886 20552.6089 14403.3648 266.4302 -203624.8889 3023.3982 0.0000 0.0000 51851.9530 -109603.5453 297.9939 -161455.4983 -109259.1829 298.1766 328.3186 360.2736 761327.3615 -5.3224 -5.1368 PRESSURE: 1531000 -420.662 152.585 81.2365 152.585 -155.428 -122.669 81.2361 -122.668 104.834 GPRESSURE: 1531000 -279.453 149.98 28.1355 53.0581 -212.373 -92.91 -34.0242 -37.8368 108.653 PRESSAVG: 1531000 -19.4549 7.6481 25.8345 7.64805 -5.26052 -2.6189 25.8345 -2.61877 -4.88761 GPRESSAVG: 1531000 -17.9045 10.8417 27.1791 7.80425 -6.53374 -2.78155 23.8606 -3.34118 -5.6024 TIMING: 1531000 CPU: 4782.2, 0.00311567/step Wall: 4782.2, 0.00311567/step, 3.00229 hours remaining, 234.457031 MB of memory in use. ENERGY: 1531000 3999.1672 20541.9318 14390.9809 266.7056 -203596.2059 2701.6642 0.0000 0.0000 52092.7924 -109602.9637 299.3780 -161695.7562 -109251.2447 298.5658 -157.0852 -127.7240 762472.1591 -9.8677 -10.0135 PRESSURE: 1531200 20.6111 -122.585 -295.312 -122.585 249.108 -101.969 -295.312 -101.968 196.221 GPRESSURE: 1531200 21.4727 -177.979 -210.271 -263.499 311.076 -212.132 -190.173 -73.4508 217.591 PRESSAVG: 1531200 13.1694 8.47178 1.0951 8.47175 -1.24662 -55.4059 1.09509 -55.4059 17.5572 GPRESSAVG: 1531200 10.374 6.48952 -0.295041 5.42111 1.31281 -57.5694 4.00155 -54.1493 17.5665 TIMING: 1531200 CPU: 4782.83, 0.00314366/step Wall: 4782.83, 0.00314366/step, 3.02909 hours remaining, 234.457031 MB of memory in use. ENERGY: 1531200 4019.4964 20568.9617 14429.7350 264.0654 -203674.7560 2867.4893 0.0000 0.0000 51917.1310 -109607.8773 298.3685 -161525.0083 -109252.2127 299.1300 155.3133 183.3799 760858.3044 9.8267 9.7511 PRESSURE: 1531400 -208.442 -128.983 146 -128.983 243.307 -136.506 145.999 -136.505 347.633 GPRESSURE: 1531400 -128.232 -124.87 74.6043 -39.0174 212.452 -87.7976 42.6956 -101.707 377.355 PRESSAVG: 1531400 -24.7763 -18.0919 19.3459 -18.0919 18.0103 -15.5822 19.3458 -15.5821 14.1637 GPRESSAVG: 1531400 -23.2619 -17.9181 20.6417 -16.2909 16.9435 -13.283 18.5589 -15.4844 13.6341 TIMING: 1531400 CPU: 4783.45, 0.00313115/step Wall: 4783.45, 0.00313115/step, 3.01687 hours remaining, 234.457031 MB of memory in use. ENERGY: 1531400 3976.6276 20418.3948 14392.2957 253.9462 -203552.5260 2952.1847 0.0000 0.0000 51894.7725 -109664.3045 298.2400 -161559.0770 -109304.0620 298.5707 127.4991 153.8583 762342.0708 2.4659 2.4386 PRESSURE: 1531600 -113.114 -4.27451 44.6474 -4.27476 68.9785 63.6059 44.6473 63.605 91.8105 GPRESSURE: 1531600 -125.348 -24.3131 59.8389 -35.2171 106.978 -37.8073 -11.8278 21.5284 151.057 PRESSAVG: 1531600 -16.7389 -37.6195 3.10835 -37.6195 -12.0982 -10.0938 3.10834 -10.0937 -0.564017 GPRESSAVG: 1531600 -17.4603 -40.1882 1.88187 -36.4598 -11.6162 -10.8144 4.61728 -10.0029 0.0016086 TIMING: 1531600 CPU: 4784.08, 0.00312131/step Wall: 4784.08, 0.00312131/step, 3.00721 hours remaining, 234.457031 MB of memory in use. ENERGY: 1531600 3911.5014 20462.9674 14463.1232 251.7358 -203311.3563 2662.4984 0.0000 0.0000 52026.0258 -109533.5045 298.9943 -161559.5303 -109176.2780 298.7946 15.8916 44.2291 761784.3984 -9.8003 -9.6916 PRESSURE: 1531800 -222.808 202.84 -80.1939 202.84 -251.557 25.4235 -80.1941 25.4234 -163.542 GPRESSURE: 1531800 -196.646 142.079 -81.4424 214.594 -226.164 110.142 -118.916 -47.5995 -135.904 PRESSAVG: 1531800 17.4888 -26.873 55.2944 -26.8729 23.1249 17.4025 55.2945 17.4026 6.88737 GPRESSAVG: 1531800 18.3841 -25.4522 56.793 -27.272 22.972 16.2991 53.2441 17.4483 7.11934 TIMING: 1531800 CPU: 4784.7, 0.00313009/step Wall: 4784.7, 0.00313009/step, 3.01549 hours remaining, 234.457031 MB of memory in use. ENERGY: 1531800 3976.6322 20340.6830 14428.9445 238.6007 -202745.8941 2560.9654 0.0000 0.0000 51689.8268 -109510.2414 297.0621 -161200.0683 -109149.0167 298.5566 -212.6355 -186.2380 762119.4609 15.8337 16.1585 PRESSURE: 1532000 -244.699 -5.86366 -42.3349 -5.86448 33.2497 -26.7794 -42.3349 -26.7789 -315.123 GPRESSURE: 1532000 -220.748 28.1816 16.9377 52.2751 -19.1784 -46.2199 126.945 -42.2165 -210.731 PRESSAVG: 1532000 -15.4835 17.0886 1.75863 17.0887 9.56896 -10.277 1.75862 -10.2769 -8.51348 GPRESSAVG: 1532000 -15.2534 17.3511 0.51501 19.6929 10.207 -10.0164 -0.571779 -8.47676 -9.68206 TIMING: 1532000 CPU: 4785.33, 0.00311527/step Wall: 4785.33, 0.00311526/step, 3.00104 hours remaining, 234.457031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1532000 3989.0364 20383.6141 14428.4029 251.2712 -203501.6879 2733.3579 0.0000 0.0000 52082.5731 -109633.4323 299.3193 -161716.0053 -109273.3427 298.1905 -175.5241 -150.2190 761575.2311 -4.8093 -4.9095 PRESSURE: 1532200 97.7012 39.7401 -75.2971 39.741 -180.5 195.394 -75.2973 195.394 -714.087 GPRESSURE: 1532200 102.886 47.3064 -67.0219 31.1871 -98.391 126.643 98.5291 97.3605 -720.076 PRESSAVG: 1532200 -30.8086 17.3636 14.3097 17.3635 -7.7092 -8.38256 14.3097 -8.38255 -1.16123 GPRESSAVG: 1532200 -31.2304 17.0822 15.5493 14.0828 -8.92039 -7.03624 15.4427 -10.7757 0.212791 TIMING: 1532200 CPU: 4785.95, 0.00310434/step Wall: 4785.95, 0.00310434/step, 2.99034 hours remaining, 234.457031 MB of memory in use. ENERGY: 1532200 4009.0030 20294.2518 14415.3860 256.2290 -203212.8819 2854.8646 0.0000 0.0000 51754.8993 -109628.2483 297.4361 -161383.1475 -109273.7734 298.7027 -265.6286 -238.5270 763762.4379 -13.2263 -13.3127 LDB: ============= START OF LOAD BALANCING ============== 4798.42 LDB: ============== END OF LOAD BALANCING =============== 4798.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4798.43 LDB: ============= START OF LOAD BALANCING ============== 4798.74 LDB: Largest compute 7007 load 0.028279 is 14.5% of average load 0.195087 LDB: Average compute 0.004380 is 2.2% of average load 0.195087 LDB: TIME 4798.74 LOAD: AVG 0.195087 MAX 0.212757 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.023 MB LDB: TIME 4798.74 LOAD: AVG 0.195087 MAX 0.212757 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.117 MB LDB: TIME 4798.74 LOAD: AVG 0.195087 MAX 0.212757 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.117 MB LDB: ============== END OF LOAD BALANCING =============== 4798.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4798.75 PRESSURE: 1532400 -186.729 124.772 -100.374 124.773 285.63 -58.3729 -100.373 -58.3727 -321.624 GPRESSURE: 1532400 -220.676 104.286 -134.91 182.916 310.238 -29.7799 -101.885 -95.1391 -221.095 PRESSAVG: 1532400 -41.2254 -11.6114 -17.1844 -11.6114 56.5062 -0.76369 -17.1845 -0.763733 17.2657 GPRESSAVG: 1532400 -41.1299 -13.2457 -18.0331 -9.27202 56.8454 -1.61917 -15.8948 -0.806934 17.6074 TIMING: 1532400 CPU: 4786.58, 0.00317867/step Wall: 4786.58, 0.00317867/step, 3.06176 hours remaining, 235.593750 MB of memory in use. ENERGY: 1532400 3979.8267 20269.5636 14413.1486 272.6134 -202703.1993 2436.4691 0.0000 0.0000 51821.5004 -109510.0774 297.8189 -161331.5779 -109150.4949 297.8792 -74.2407 -43.8444 761989.0449 10.8488 11.1076 PRESSURE: 1532600 -511.848 -129.072 -264.162 -129.071 -171.815 -123.035 -264.162 -123.036 -527.209 GPRESSURE: 1532600 -355.257 -93.1207 -210.226 -79.0402 -218.835 -123.463 -246.626 36.4115 -562.287 PRESSAVG: 1532600 -40.1427 -20.3458 26.9765 -20.3458 30.6285 -21.0879 26.9765 -21.0879 16.798 GPRESSAVG: 1532600 -39.2451 -19.705 28.353 -20.7877 30.166 -20.5431 25.2012 -21.4491 16.2229 TIMING: 1532600 CPU: 4787.21, 0.00311469/step Wall: 4787.21, 0.00311469/step, 2.99996 hours remaining, 235.792969 MB of memory in use. ENERGY: 1532600 3949.3094 20404.8993 14411.5007 232.2195 -202879.4456 2513.1681 0.0000 0.0000 52010.0018 -109358.3469 298.9022 -161368.3487 -108996.2060 298.3877 -403.6240 -378.7929 761795.7260 2.4279 2.3812 PRESSURE: 1532800 -204.879 38.9954 230.639 38.9946 -27.5085 -48.7835 230.639 -48.7841 -73.044 GPRESSURE: 1532800 -199.436 107.661 121.275 38.3293 4.52874 -96.4756 300.192 -10.2506 -29.3267 PRESSAVG: 1532800 75.4214 23.611 -10.0553 23.611 -13.2104 -29.938 -10.0553 -29.938 -13.5983 GPRESSAVG: 1532800 76.2827 25.7066 -10.8088 23.2704 -13.2591 -29.255 -10.3047 -29.9104 -13.9542 TIMING: 1532800 CPU: 4787.83, 0.00312791/step Wall: 4787.83, 0.00312791/step, 3.01253 hours remaining, 235.792969 MB of memory in use. ENERGY: 1532800 3921.1642 20536.0334 14452.8074 260.4705 -203192.8908 2710.4350 0.0000 0.0000 51863.8229 -109448.1574 298.0621 -161311.9803 -109092.4921 298.5737 -101.8103 -74.7445 762944.0955 16.2042 16.3564 PRESSURE: 1533000 -325.182 40.9456 215.735 40.9448 64.5126 -26.7814 215.735 -26.7816 -118.491 GPRESSURE: 1533000 -237.791 25.5307 112.357 0.906728 98.1668 -95.2297 128.845 -90.4921 -159.844 PRESSAVG: 1533000 -16.8315 7.24697 -14.5153 7.24699 27.865 -23.2925 -14.5153 -23.2925 -21.6686 GPRESSAVG: 1533000 -16.9774 4.89222 -15.436 5.58434 27.9021 -24.6772 -12.7925 -23.1201 -20.9566 TIMING: 1533000 CPU: 4788.45, 0.00311025/step Wall: 4788.45, 0.00311025/step, 2.99534 hours remaining, 235.792969 MB of memory in use. ENERGY: 1533000 3906.7255 20492.1437 14489.5521 238.8908 -202654.3854 2413.6338 0.0000 0.0000 51931.7177 -109181.7219 298.4523 -161113.4396 -108825.7383 298.3960 -126.3867 -99.8227 763657.3338 -3.5450 -3.3440 PRESSURE: 1533200 -205.384 198.694 -203.183 198.694 114.131 172.698 -203.183 172.698 16.3659 GPRESSURE: 1533200 -185.648 172.69 -209.562 181.146 140.869 121.446 -249.562 191.145 62.1251 PRESSAVG: 1533200 -68.4183 42.5563 22.3171 42.5563 43.8683 66.597 22.3171 66.597 4.34728 GPRESSAVG: 1533200 -68.9802 43.5206 22.3274 42.9323 44.6137 68.0045 21.4116 66.6993 3.78946 TIMING: 1533200 CPU: 4789.08, 0.00311482/step Wall: 4789.08, 0.00311482/step, 2.99957 hours remaining, 235.792969 MB of memory in use. ENERGY: 1533200 3934.3300 20434.5569 14432.9925 240.1440 -203045.3601 2646.2594 0.0000 0.0000 52008.2676 -109348.8096 298.8922 -161357.0772 -108985.3095 298.9177 -24.9622 5.7821 762649.6818 -6.7343 -6.8590 PRESSURE: 1533400 -189.741 -136.651 159.49 -136.651 158.661 121.874 159.49 121.874 108.057 GPRESSURE: 1533400 -178.191 -282.943 136.502 -209.137 227.982 52.0372 164.779 120.225 110.205 PRESSAVG: 1533400 -47.9965 -7.67081 -27.5172 -7.67076 75.4188 -26.7641 -27.5172 -26.7641 -1.52939 GPRESSAVG: 1533400 -47.874 -8.42178 -25.5622 -7.01498 74.2385 -27.1991 -26.7643 -27.6538 0.00651637 TIMING: 1533400 CPU: 4789.7, 0.0031162/step Wall: 4789.7, 0.0031162/step, 3.00072 hours remaining, 235.792969 MB of memory in use. ENERGY: 1533400 3916.3266 20445.4845 14458.5335 266.7397 -202931.9846 2664.3361 0.0000 0.0000 52075.3045 -109105.2597 299.2775 -161180.5642 -108759.0126 298.9209 25.6589 53.3319 763778.2102 8.6310 8.7903 PRESSURE: 1533600 303.215 69.9706 158.752 69.9701 267.178 73.9084 158.752 73.9075 -71.1438 GPRESSURE: 1533600 327.854 85.7559 118.922 144.201 256.861 85.31 127.208 9.64748 -5.9225 PRESSAVG: 1533600 98.6613 -10.6298 6.27624 -10.6298 -80.7657 -23.4914 6.27628 -23.4914 -23.921 GPRESSAVG: 1533600 98.5792 -10.5795 5.93727 -9.88272 -79.182 -24.1011 6.00376 -22.5599 -25.6103 TIMING: 1533600 CPU: 4790.32, 0.00311902/step Wall: 4790.32, 0.00311902/step, 3.00327 hours remaining, 235.792969 MB of memory in use. ENERGY: 1533600 3990.0903 20452.5239 14376.9930 270.6104 -203008.0947 2958.1931 0.0000 0.0000 52134.2245 -108825.4595 299.6161 -160959.6840 -108460.3907 299.5831 166.4163 192.9308 765437.3874 -2.0084 -2.0710 PRESSURE: 1533800 -167.916 -67.8199 36.6336 -67.8203 -321.625 -73.2111 36.6342 -73.21 109.751 GPRESSURE: 1533800 -133.365 -88.9748 15.821 -64.2452 -299.458 9.60289 29.5149 5.67377 133.278 PRESSAVG: 1533800 33.9038 6.83345 17.9587 6.83347 -40.3589 -1.18266 17.9587 -1.18255 -11.7151 GPRESSAVG: 1533800 34.2444 8.60779 18.5593 4.48819 -41.3022 0.11572 18.7075 -1.76279 -11.2727 TIMING: 1533800 CPU: 4790.95, 0.00311963/step Wall: 4790.95, 0.00311963/step, 3.00368 hours remaining, 235.792969 MB of memory in use. ENERGY: 1533800 3998.8971 20539.2267 14402.4930 243.2428 -202684.3649 2659.3748 0.0000 0.0000 51935.7126 -108905.4179 298.4753 -160841.1305 -108540.9036 299.5174 -126.5968 -99.8484 763946.4870 -6.0567 -6.1101 PRESSURE: 1534000 -168.169 164.83 -186.302 164.831 58.698 169.611 -186.302 169.612 127.663 GPRESSURE: 1534000 -78.98 173.708 -265.453 97.8728 76.6911 166.994 9.99088 68.8545 106.423 PRESSAVG: 1534000 18.5057 6.83481 -23.0006 6.83489 -24.4667 -18.9823 -23.0006 -18.9823 6.78013 GPRESSAVG: 1534000 17.4466 6.49282 -24.8552 8.97232 -23.7328 -21.2024 -21.4448 -17.4727 6.63995 TIMING: 1534000 CPU: 4791.57, 0.00312363/step Wall: 4791.57, 0.00312363/step, 3.00736 hours remaining, 235.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1534000 4026.7615 20538.5665 14461.7498 247.3893 -203016.0999 2733.3946 0.0000 0.0000 51699.1883 -109309.0498 297.1159 -161008.2381 -108959.4502 299.2596 6.0639 34.7112 763380.3286 0.2730 0.1179 PRESSURE: 1534200 -361.949 -162.072 157.961 -162.072 -65.5345 40.5457 157.96 40.5466 128.707 GPRESSURE: 1534200 -315.619 -90.6292 120.152 -114.523 -88.2255 51.169 -13.4589 88.1532 176.749 PRESSAVG: 1534200 68.061 -26.4695 -24.5396 -26.4695 6.22502 -10.7433 -24.5396 -10.7434 9.8588 GPRESSAVG: 1534200 70.036 -28.9786 -23.4943 -27.404 5.04963 -11.1744 -26.8232 -10.76 9.25815 TIMING: 1534200 CPU: 4792.2, 0.00312204/step Wall: 4792.2, 0.00312204/step, 3.00566 hours remaining, 235.792969 MB of memory in use. ENERGY: 1534200 3962.5410 20597.3952 14479.1727 243.7330 -203166.0782 2682.2029 0.0000 0.0000 51953.1380 -109247.8954 298.5754 -161201.0333 -108882.2419 299.2905 -99.5920 -75.6984 762913.5843 28.0483 28.1146 PRESSURE: 1534400 -156.793 -65.4201 20.3721 -65.4196 -183.402 -135.724 20.3722 -135.723 -489.208 GPRESSURE: 1534400 -151.4 57.6256 30.0882 -37.3107 -129.836 -69.8973 34.5971 -134.89 -454.279 PRESSAVG: 1534400 3.7461 41.0446 21.9043 41.0446 -18.3419 -57.2397 21.9044 -57.2396 -18.5364 GPRESSAVG: 1534400 2.9385 43.4772 21.8239 41.8434 -18.2849 -55.9984 23.235 -58.7018 -17.1955 TIMING: 1534400 CPU: 4792.82, 0.00312456/step Wall: 4792.82, 0.00312456/step, 3.00791 hours remaining, 235.792969 MB of memory in use. ENERGY: 1534400 3959.5355 20313.9241 14368.0457 262.3255 -203481.4345 2712.4793 0.0000 0.0000 52535.8884 -109329.2361 301.9245 -161865.1244 -108956.5653 299.3844 -276.4679 -245.1717 762067.8453 -11.0441 -10.8473 PRESSURE: 1534600 -458.633 38.5633 -28.5112 38.5634 -223.937 -57.0285 -28.5117 -57.0282 234.841 GPRESSURE: 1534600 -348.497 56.8446 -26.3837 28.2038 -180.955 0.208304 4.85195 -0.880887 195.618 PRESSAVG: 1534600 -6.01314 77.436 23.8327 77.436 57.4838 26.9264 23.8326 26.9263 -14.1501 GPRESSAVG: 1534600 -5.45641 76.8779 24.5302 75.617 57.5965 26.2589 21.9473 27.2831 -15.1924 TIMING: 1534600 CPU: 4793.45, 0.00313213/step Wall: 4793.45, 0.00313213/step, 3.01503 hours remaining, 235.792969 MB of memory in use. ENERGY: 1534600 4041.4191 20486.4440 14396.2277 242.1403 -203021.0987 2575.6781 0.0000 0.0000 52168.2678 -109110.9217 299.8118 -161279.1895 -108737.2957 299.5668 -149.2432 -111.2778 763106.1262 12.4402 12.3159 PRESSURE: 1534800 -59.2462 -142.839 -6.84077 -142.839 -234.35 180.263 -6.84119 180.263 -190.586 GPRESSURE: 1534800 -76.2533 -137.574 85.6727 -25.7802 -168.574 187.118 -10.919 37.0692 -157.796 PRESSAVG: 1534800 -8.72682 45.8322 3.51519 45.8322 7.33042 2.22451 3.51521 2.22459 7.75664 GPRESSAVG: 1534800 -8.36214 45.1107 3.46388 47.6013 6.97236 2.95838 6.08186 2.27964 7.94984 TIMING: 1534800 CPU: 4794.07, 0.00312474/step Wall: 4794.07, 0.00312474/step, 3.00774 hours remaining, 235.792969 MB of memory in use. ENERGY: 1534800 3991.1876 20555.8192 14378.4036 240.6236 -202939.7629 2445.2953 0.0000 0.0000 52249.2095 -109079.2241 300.2769 -161328.4336 -108721.9347 299.2373 -161.3940 -134.2078 763937.8933 2.1201 2.1867 PRESSURE: 1535000 99.262 -193.895 205.48 -193.895 296.991 13.6292 205.48 13.6294 -140.987 GPRESSURE: 1535000 85.3292 -200.078 108.684 -239.847 266.138 -39.1896 105.177 11.2915 -31.736 PRESSAVG: 1535000 -25.9268 -39.1523 2.26529 -39.1522 4.06543 14.3299 2.26531 14.3299 1.61339 GPRESSAVG: 1535000 -26.9763 -38.4453 2.01694 -40.0344 3.686 14.4082 0.319536 13.5135 2.72106 TIMING: 1535000 CPU: 4794.7, 0.00311409/step Wall: 4794.7, 0.00311409/step, 2.99731 hours remaining, 235.792969 MB of memory in use. ENERGY: 1535000 3984.6368 20643.9100 14469.4899 228.9915 -203341.9236 2896.6711 0.0000 0.0000 52070.1440 -109048.0803 299.2478 -161118.2243 -108686.7236 299.4560 85.0889 106.5769 762508.3293 -6.7493 -6.8564 PRESSURE: 1535200 101.659 65.6404 -161.046 65.6402 6.10483 -108.795 -161.045 -108.794 -98.3399 GPRESSURE: 1535200 140.268 237.56 -75.557 -2.02388 46.6809 -90.1415 -134.02 -84.513 -101.114 PRESSAVG: 1535200 36.5218 52.7404 -48.5439 52.7404 -30.6185 1.54582 -48.5439 1.5458 36.1864 GPRESSAVG: 1535200 37.4538 50.1512 -48.1779 54.5056 -30.3373 0.427853 -48.4074 3.48547 35.1761 TIMING: 1535200 CPU: 4795.32, 0.00311659/step Wall: 4795.32, 0.00311659/step, 2.99955 hours remaining, 235.792969 MB of memory in use. ENERGY: 1535200 4006.8170 20590.7401 14437.7663 243.5130 -203017.4425 2441.0943 0.0000 0.0000 52173.5779 -109123.9339 299.8423 -161297.5118 -108751.0882 299.7919 3.1412 28.6118 762607.4927 14.0299 14.0975 PRESSURE: 1535400 -73.1012 365.765 -91.877 365.766 61.5162 -68.8719 -91.8764 -68.8726 -167.877 GPRESSURE: 1535400 -30.1684 196.371 -76.9357 332.477 48.7272 -16.8119 -61.5315 -63.7759 -136.706 PRESSAVG: 1535400 -50.2612 114.647 -17.4361 114.647 71.2977 -31.3761 -17.4361 -31.3761 -24.8321 GPRESSAVG: 1535400 -51.4408 115.045 -17.4224 113.413 72.1426 -31.2661 -15.2768 -32.2562 -24.511 TIMING: 1535400 CPU: 4795.95, 0.0031353/step Wall: 4795.95, 0.0031353/step, 3.01738 hours remaining, 235.792969 MB of memory in use. ENERGY: 1535400 3965.6333 20571.0024 14481.0578 258.1100 -202708.4309 2396.1690 0.0000 0.0000 52122.5741 -108913.8843 299.5491 -161036.4584 -108551.8209 299.7361 -59.8208 -39.3823 763315.0043 -1.2652 -1.2697 PRESSURE: 1535600 -61.8385 12.9254 33.3353 12.9248 -115.299 268.961 33.335 268.961 -155.6 GPRESSURE: 1535600 -19.6732 -99.6343 80.4297 115.158 -106.92 355.274 104.785 115.513 -117.322 PRESSAVG: 1535600 7.1577 62.2783 7.92492 62.2784 11.9491 8.29879 7.92505 8.29885 15.2885 GPRESSAVG: 1535600 7.52101 63.5414 7.71451 61.7528 10.7008 8.81429 7.03856 6.29374 16.4782 TIMING: 1535600 CPU: 4796.57, 0.00312499/step Wall: 4796.57, 0.00312499/step, 3.00729 hours remaining, 235.792969 MB of memory in use. ENERGY: 1535600 4085.3405 20582.6747 14494.0298 236.0134 -203498.9500 3052.4319 0.0000 0.0000 52051.9250 -108996.5347 299.1431 -161048.4596 -108642.2222 299.8868 -110.9127 -81.3048 762434.1329 11.4651 11.5667 PRESSURE: 1535800 101.108 -85.5738 -381.865 -85.5742 -69.2027 146.125 -381.863 146.125 104.299 GPRESSURE: 1535800 98.396 -123.697 -260.487 -56.1201 -22.2874 90.6506 -361.36 172.436 144.951 PRESSAVG: 1535800 22.0387 24.4209 -18.8131 24.4209 1.51151 -0.497839 -18.8131 -0.497855 1.42825 GPRESSAVG: 1535800 22.1745 23.8628 -19.9173 24.4921 1.81461 -0.409367 -18.9262 1.89493 1.90577 TIMING: 1535800 CPU: 4797.2, 0.00313224/step Wall: 4797.2, 0.00313224/step, 3.01408 hours remaining, 235.792969 MB of memory in use. ENERGY: 1535800 3932.6037 20491.1045 14461.6270 262.1466 -202886.0037 2601.1854 0.0000 0.0000 51875.2249 -109262.1116 298.1276 -161137.3366 -108900.1163 299.6067 45.4014 73.6866 764556.2485 8.3261 8.6316 PRESSURE: 1536000 -240.923 0.999537 126.326 0.998857 -382.222 126.359 126.326 126.358 23.5433 GPRESSURE: 1536000 -219.017 141.677 89.0875 -3.2736 -304.584 106.47 123.943 65.636 19.2293 PRESSAVG: 1536000 -14.0507 3.65834 -9.09187 3.65829 10.7521 15.0583 -9.09186 15.0583 -1.94267 GPRESSAVG: 1536000 -14.1781 5.47341 -9.13452 3.38929 11.2671 15.5436 -9.13061 13.3676 -2.62182 TIMING: 1536000 CPU: 4797.82, 0.00312211/step Wall: 4797.82, 0.00312211/step, 3.00416 hours remaining, 235.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1536000 3993.0104 20658.3274 14249.0966 256.7752 -203004.1449 2509.2749 0.0000 0.0000 52010.5281 -109327.1323 298.9052 -161337.6604 -108974.1332 298.8638 -199.8675 -168.1239 762615.4742 -1.7471 -1.8443 PRESSURE: 1536200 216.588 -14.7063 -91.2186 -14.7056 -60.0946 113.049 -91.2186 113.049 119.956 GPRESSURE: 1536200 191.444 3.80797 -74.9965 -30.4209 11.5723 131.826 -82.9498 119.234 151.925 PRESSAVG: 1536200 1.52089 19.8314 37.0013 19.8314 10.7358 4.87486 37.0013 4.87491 -4.57256 GPRESSAVG: 1536200 0.221934 20.3907 37.5467 18.9351 11.9562 4.52648 37.3359 4.73415 -4.06018 TIMING: 1536200 CPU: 4798.44, 0.00311769/step Wall: 4798.44, 0.00311769/step, 2.99974 hours remaining, 235.792969 MB of memory in use. ENERGY: 1536200 4016.5854 20495.6625 14390.4460 265.3042 -203331.6133 2651.4493 0.0000 0.0000 52337.2457 -109174.9201 300.7829 -161512.1659 -108805.1933 299.0896 92.1498 118.3136 762370.1211 2.5614 2.7060 LDB: ============= START OF LOAD BALANCING ============== 4810.92 LDB: ============== END OF LOAD BALANCING =============== 4810.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4810.92 LDB: ============= START OF LOAD BALANCING ============== 4811.24 LDB: Largest compute 7071 load 0.028236 is 14.5% of average load 0.195166 LDB: Average compute 0.004397 is 2.3% of average load 0.195166 LDB: TIME 4811.24 LOAD: AVG 0.195166 MAX 0.215749 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 4811.24 LOAD: AVG 0.195166 MAX 0.215749 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.887 MB LDB: TIME 4811.24 LOAD: AVG 0.195166 MAX 0.215749 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.887 MB LDB: ============== END OF LOAD BALANCING =============== 4811.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4811.25 PRESSURE: 1536400 154.2 -56.1457 24.9075 -56.1449 -142.418 -156.471 24.9069 -156.471 56.5084 GPRESSURE: 1536400 185.342 -102.292 87.0026 24.5099 -73.337 -141.058 -132.547 -66.1914 22.596 PRESSAVG: 1536400 -7.45355 27.0848 -19.4476 27.0848 36.5285 64.867 -19.4475 64.8669 34.2335 GPRESSAVG: 1536400 -4.70044 24.289 -18.679 29.5812 34.5175 64.5697 -22.2189 67.8962 33.0851 TIMING: 1536400 CPU: 4799.08, 0.0031784/step Wall: 4799.08, 0.0031784/step, 3.05798 hours remaining, 233.742188 MB of memory in use. ENERGY: 1536400 3951.9390 20452.1076 14375.4100 234.7808 -202886.7331 2509.7385 0.0000 0.0000 52102.7967 -109259.9606 299.4355 -161362.7573 -108886.4134 299.2504 22.7635 44.8669 763564.8383 21.1028 20.9674 PRESSURE: 1536600 -237.457 8.19783 -256.601 8.19802 25.2789 35.1689 -256.601 35.1684 49.9698 GPRESSURE: 1536600 -140.478 -74.1348 -266.181 118.201 -6.22225 -8.01814 -264.757 22.1049 46.4746 PRESSAVG: 1536600 -38.8705 49.6333 -7.10348 49.6333 20.3662 11.9594 -7.10354 11.9593 -1.02645 GPRESSAVG: 1536600 -40.3336 49.0192 -8.01672 48.741 21.5732 12.7356 -4.4472 9.5327 -1.2188 TIMING: 1536600 CPU: 4799.7, 0.00311771/step Wall: 4799.7, 0.00311771/step, 2.99941 hours remaining, 233.742188 MB of memory in use. ENERGY: 1536600 3945.1049 20437.9633 14430.6706 257.2016 -203319.5895 2887.8536 0.0000 0.0000 52019.8625 -109340.9330 298.9589 -161360.7955 -108974.5220 299.1617 -54.0696 -33.4086 764193.8627 -6.5103 -6.6597 PRESSURE: 1536800 -211.942 -4.43243 30.6239 -4.43258 -194.136 -5.53347 30.624 -5.53237 -434.525 GPRESSURE: 1536800 -136.6 -66.0685 -31.5712 -6.71539 -217.835 72.3758 157.429 -133.409 -409.625 PRESSAVG: 1536800 -20.6192 93.3427 -3.31104 93.3428 -39.2873 32.1489 -3.31102 32.1489 0.976524 GPRESSAVG: 1536800 -20.9065 94.4222 -2.9295 93.8397 -39.1447 30.2817 -3.58657 33.7789 1.20679 TIMING: 1536800 CPU: 4800.33, 0.00311164/step Wall: 4800.33, 0.00311164/step, 2.9934 hours remaining, 233.742188 MB of memory in use. ENERGY: 1536800 3991.7149 20394.3132 14384.4907 266.9888 -202800.0176 2345.7118 0.0000 0.0000 52011.7237 -109405.0745 298.9121 -161416.7982 -109048.5196 298.4780 -280.2007 -254.6866 762211.5549 -19.6433 -19.6148 PRESSURE: 1537000 31.7376 50.5314 -63.3053 50.5312 -236.308 -70.1472 -63.305 -70.1483 142.246 GPRESSURE: 1537000 -9.81812 -22.1653 53.2957 47.0936 -137.646 3.91147 -36.6791 -127.099 171.912 PRESSAVG: 1537000 34.2571 56.9364 13.2936 56.9364 -21.0931 46.9487 13.2937 46.9487 -15.7758 GPRESSAVG: 1537000 35.7104 55.6892 13.2951 57.29 -21.9117 49.6576 13.0121 46.6279 -16.747 TIMING: 1537000 CPU: 4800.95, 0.00311562/step Wall: 4800.95, 0.00311562/step, 2.99705 hours remaining, 233.742188 MB of memory in use. ENERGY: 1537000 4070.6240 20546.3532 14357.4318 274.4924 -203253.9811 2684.7622 0.0000 0.0000 51958.7619 -109361.5556 298.6077 -161320.3175 -109012.7012 298.7122 -20.7750 8.1494 761966.8117 -0.8706 -0.9828 PRESSURE: 1537200 195.452 69.142 40.8506 69.1433 432.375 21.5871 40.8513 21.586 21.7576 GPRESSURE: 1537200 301.078 53.0618 184.315 18.8234 397.531 -106.774 48.0785 -80.3645 24.086 PRESSAVG: 1537200 45.3115 6.27512 50.1383 6.27512 -20.2559 -17.5045 50.1382 -17.5045 1.67831 GPRESSAVG: 1537200 45.3528 7.31731 50.3161 5.52208 -20.2892 -20.1782 50.9238 -18.9355 1.7122 TIMING: 1537200 CPU: 4801.58, 0.00313117/step Wall: 4801.58, 0.00313117/step, 3.01184 hours remaining, 233.742188 MB of memory in use. ENERGY: 1537200 3840.8772 20527.5324 14381.2568 249.4044 -202934.2729 2576.1716 0.0000 0.0000 52315.1790 -109043.8515 300.6561 -161359.0305 -108679.2594 299.2693 216.5284 240.8984 762867.0480 8.9113 8.9252 PRESSURE: 1537400 14.1577 -33.7719 53.2245 -33.7727 -174.635 -82.4049 53.2252 -82.4055 254.203 GPRESSURE: 1537400 37.5695 12.6661 65.0697 6.97438 -147.343 -9.93102 209.734 -25.0036 305.199 PRESSAVG: 1537400 49.4261 38.8049 18.285 38.8049 -6.71746 -15.7768 18.2849 -15.7769 -3.15751 GPRESSAVG: 1537400 49.3024 39.2073 17.8187 38.4167 -7.01138 -14.0479 18.0005 -15.0205 -2.74833 TIMING: 1537400 CPU: 4802.2, 0.00313657/step Wall: 4802.2, 0.00313657/step, 3.01686 hours remaining, 233.742188 MB of memory in use. ENERGY: 1537400 3921.6223 20615.8194 14388.8640 231.6214 -202736.1314 2519.8636 0.0000 0.0000 52046.3660 -109011.9747 299.1112 -161058.3407 -108651.7672 299.4467 31.2421 65.1418 763384.6142 13.1837 13.1809 PRESSURE: 1537600 -139.319 213.326 -52.9565 213.326 -308.932 92.1403 -52.9556 92.1394 -5.12065 GPRESSURE: 1537600 -151.756 235.913 -62.1592 283.162 -189.091 28.4186 -79.7775 116.474 -15.9814 PRESSAVG: 1537600 -2.68302 27.2707 3.89599 27.2707 -63.0835 40.7932 3.89598 40.7932 9.85408 GPRESSAVG: 1537600 -2.68464 28.2142 2.71657 27.2602 -62.5294 39.6883 2.51891 41.1694 9.3745 TIMING: 1537600 CPU: 4802.83, 0.00312042/step Wall: 4802.83, 0.00312042/step, 3.00115 hours remaining, 233.742188 MB of memory in use. ENERGY: 1537600 3921.9705 20682.5828 14393.9331 235.0164 -202337.6402 2204.0703 0.0000 0.0000 51924.8398 -108975.2274 298.4128 -160900.0672 -108615.9055 299.1377 -151.1238 -118.9430 765378.4231 -18.6375 -18.6132 PRESSURE: 1537800 22.7506 -157.285 87.9154 -157.286 183.303 -60.7997 87.9151 -60.7983 -233.082 GPRESSURE: 1537800 25.3631 -117.457 -9.29236 -100.126 146.937 -45.9136 78.771 -60.5701 -131.486 PRESSAVG: 1537800 29.9545 -14.9182 11.8726 -14.9183 -33.2582 38.3347 11.8726 38.3347 2.20821 GPRESSAVG: 1537800 29.742 -14.4222 12.6958 -15.6581 -33.4521 38.1357 11.7346 38.4898 2.71638 TIMING: 1537800 CPU: 4803.45, 0.00313707/step Wall: 4803.45, 0.00313707/step, 3.01699 hours remaining, 233.742188 MB of memory in use. ENERGY: 1537800 3906.1248 20605.8921 14399.9353 236.5648 -202906.3340 2679.4957 0.0000 0.0000 52215.8056 -108862.5157 300.0850 -161078.3213 -108502.5144 299.6554 -9.0095 13.6048 764304.6366 -0.3652 -0.3312 PRESSURE: 1538000 -18.1219 152.141 284.594 152.141 258.361 58.9717 284.595 58.9715 -10.2421 GPRESSURE: 1538000 39.7248 61.1721 290.15 232.526 284.493 12.1008 359.584 56.987 -30.2502 PRESSAVG: 1538000 60.2871 49.4732 54.2467 49.4733 -73.6599 63.051 54.2467 63.0509 3.36487 GPRESSAVG: 1538000 59.9138 47.8622 54.1229 49.4354 -73.6693 64.5959 55.5936 62.4341 3.90501 TIMING: 1538000 CPU: 4804.08, 0.00312762/step Wall: 4804.08, 0.00312762/step, 3.00773 hours remaining, 233.742188 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: 1538000 3950.7878 20544.3203 14449.3597 240.1520 -202942.6085 2776.1817 0.0000 0.0000 51932.9935 -109048.8135 298.4596 -160981.8070 -108701.5473 299.8963 76.6657 97.9892 764225.0236 -3.3360 -3.2835 PRESSURE: 1538200 235.869 -244.91 -199.428 -244.91 27.3947 -122.214 -199.429 -122.214 -137.138 GPRESSURE: 1538200 287.778 -215.029 -170.716 -197.651 40.5249 -55.7525 -334.649 -53.7015 -116.971 PRESSAVG: 1538200 42.4072 59.2742 58.1161 59.2742 -54.0717 13.2923 58.116 13.2923 -4.56255 GPRESSAVG: 1538200 42.3488 59.1786 58.2514 59.8502 -54.2788 13.3344 58.0325 15.1701 -4.47398 TIMING: 1538200 CPU: 4804.7, 0.00311709/step Wall: 4804.7, 0.00311709/step, 2.99743 hours remaining, 233.742188 MB of memory in use. ENERGY: 1538200 4015.9303 20318.5860 14422.3223 232.4199 -203126.8896 2821.9714 0.0000 0.0000 52126.5947 -109189.0650 299.5723 -161315.6597 -108816.5087 298.8362 42.0418 70.4441 764483.0163 -5.4090 -5.4680 PRESSURE: 1538400 164.579 -45.8877 -274.754 -45.8868 7.25564 120.639 -274.754 120.639 2.58389 GPRESSURE: 1538400 109.289 -94.4614 -256.502 83.1254 61.2265 43.4537 -309.981 237.049 99.6005 PRESSAVG: 1538400 61.7659 32.3973 -9.1585 32.3973 -33.5861 11.0935 -9.15858 11.0935 4.54848 GPRESSAVG: 1538400 61.8351 31.3543 -9.99099 33.9095 -33.6458 10.7507 -8.08587 8.37395 4.88445 TIMING: 1538400 CPU: 4805.33, 0.00311972/step Wall: 4805.33, 0.00311972/step, 2.99978 hours remaining, 233.742188 MB of memory in use. ENERGY: 1538400 3998.2260 20503.6869 14426.4197 230.6900 -203222.0610 2870.0703 0.0000 0.0000 52131.0562 -109061.9119 299.5979 -161192.9681 -108696.7073 299.6502 58.1394 90.0388 763879.9893 10.9094 11.0246 PRESSURE: 1538600 19.2821 -277.557 56.9449 -277.558 -117.319 -104.834 56.945 -104.834 -77.4419 GPRESSURE: 1538600 -2.27094 -173.88 125.974 -135.088 -59.8308 -164.791 132.822 -28.5169 -50.3592 PRESSAVG: 1538600 2.58771 11.5472 -0.819593 11.5472 -2.83821 -34.5322 -0.819571 -34.5323 -3.92004 GPRESSAVG: 1538600 3.22762 12.9561 1.40253 11.9849 -2.96754 -32.8397 -3.72012 -33.2144 -4.99926 TIMING: 1538600 CPU: 4805.95, 0.00312588/step Wall: 4805.95, 0.00312588/step, 3.00553 hours remaining, 233.742188 MB of memory in use. ENERGY: 1538600 4005.8706 20582.6000 14398.2452 245.3282 -202961.7606 2787.6480 0.0000 0.0000 51996.8501 -108945.2184 298.8266 -160942.0685 -108583.2359 299.4545 -58.4929 -37.4870 764240.2354 -1.3902 -1.5797 PRESSURE: 1538800 -136.683 218.915 67.9792 218.914 -171.581 -182.408 67.9801 -182.407 357.445 GPRESSURE: 1538800 -153.314 122.169 129.208 90.1694 -45.1843 -118.214 7.93182 -295.876 349.219 PRESSAVG: 1538800 -76.0287 20.2067 15.1868 20.2067 7.91352 -39.934 15.1867 -39.934 7.70456 GPRESSAVG: 1538800 -76.4368 21.9485 13.6733 16.2029 9.7923 -43.2358 17.3241 -37.8607 6.76227 TIMING: 1538800 CPU: 4806.57, 0.00310905/step Wall: 4806.57, 0.00310905/step, 2.98918 hours remaining, 233.742188 MB of memory in use. ENERGY: 1538800 3986.0173 20532.7104 14257.5183 265.2336 -202863.1545 2867.9933 0.0000 0.0000 52069.5470 -108884.1346 299.2444 -160953.6817 -108514.0425 299.6108 16.3938 50.2403 765165.0175 -20.1369 -19.9607 PRESSURE: 1539000 -182.512 207.941 -105.922 207.939 -23.1692 65.1877 -105.923 65.1891 -151.558 GPRESSURE: 1539000 -90.0057 139.795 -60.0784 234.2 -42.7268 51.088 -220.418 152.487 -154.744 PRESSAVG: 1539000 -37.6884 68.3324 5.42324 68.3325 49.8496 -14.086 5.42325 -14.086 20.1702 GPRESSAVG: 1539000 -37.6064 64.9526 7.62043 73.2186 48.5091 -13.5399 4.17861 -16.5953 20.8203 TIMING: 1539000 CPU: 4807.2, 0.00312913/step Wall: 4807.2, 0.00312913/step, 3.00831 hours remaining, 233.742188 MB of memory in use. ENERGY: 1539000 4059.5510 20451.2110 14361.0936 237.5931 -202752.4929 2664.8750 0.0000 0.0000 52157.8379 -108820.3312 299.7518 -160978.1692 -108446.4545 299.4651 -119.0797 -95.8255 764881.6732 10.7771 10.5744 PRESSURE: 1539200 322.475 -22.752 171.701 -22.7523 126.151 -45.4961 171.702 -45.4964 44.8336 GPRESSURE: 1539200 242.198 -50.5006 147.747 26.5875 225.861 15.7161 183.882 42.7078 111.095 PRESSAVG: 1539200 -14.4235 56.9766 9.44125 56.9767 -9.38862 30.22 9.44127 30.22 19.7916 GPRESSAVG: 1539200 -13.876 57.6454 7.08401 55.4386 -10.0653 31.2774 9.04849 31.2125 20.0924 TIMING: 1539200 CPU: 4807.83, 0.00313627/step Wall: 4807.83, 0.00313627/step, 3.015 hours remaining, 233.742188 MB of memory in use. ENERGY: 1539200 4037.9672 20484.3506 14389.5636 257.2987 -203318.5559 2997.1147 0.0000 0.0000 52124.6047 -109027.6566 299.5608 -161152.2613 -108669.7470 299.4904 164.4863 193.0514 761813.8282 -1.3402 -1.2830 PRESSURE: 1539400 -203.782 137.676 4.39888 137.676 3.53242 -106.981 4.39906 -106.981 -216.39 GPRESSURE: 1539400 -153.032 26.3656 17.199 43.8943 26.8065 -166.118 92.299 -248.624 -201.408 PRESSAVG: 1539400 50.2925 18.6467 -37.0823 18.6467 -29.3022 3.61011 -37.0823 3.61005 19.0575 GPRESSAVG: 1539400 49.3893 19.9198 -35.1135 17.9148 -28.1439 2.82434 -37.3165 1.49046 18.7378 TIMING: 1539400 CPU: 4808.45, 0.00313644/step Wall: 4808.45, 0.00313644/step, 3.01499 hours remaining, 233.742188 MB of memory in use. ENERGY: 1539400 3988.1525 20579.9068 14353.4637 225.0784 -203070.3389 2592.0978 0.0000 0.0000 52253.3193 -109078.3203 300.3005 -161331.6396 -108713.7304 299.7837 -138.8800 -109.2112 762247.4175 13.3493 13.3277 PRESSURE: 1539600 -115.861 46.3326 246.355 46.3324 1.2183 176.131 246.355 176.132 357.492 GPRESSURE: 1539600 -53.8789 150.417 253.183 128.871 67.6699 120.369 108.603 254.53 313.294 PRESSAVG: 1539600 -33.7885 31.006 -2.67985 31.006 4.94179 -57.1803 -2.67984 -57.1803 0.0152966 GPRESSAVG: 1539600 -33.0753 32.598 -2.36077 30.6611 4.71334 -57.2747 -4.31582 -57.0018 0.0609272 TIMING: 1539600 CPU: 4809.08, 0.00313592/step Wall: 4809.08, 0.00313592/step, 3.01432 hours remaining, 233.742188 MB of memory in use. ENERGY: 1539600 3982.5402 20466.0843 14413.5150 244.0102 -203322.0443 3060.1380 0.0000 0.0000 52208.5838 -108947.1727 300.0434 -161155.7566 -108583.1414 299.2493 80.9496 109.0284 764037.5704 -9.6105 -9.4337 PRESSURE: 1539800 -318.881 -33.8559 -306.611 -33.8562 -129.356 8.53987 -306.611 8.53944 -530.117 GPRESSURE: 1539800 -274.013 42.4134 -224.067 -120.592 -102.737 -72.2236 -365.132 43.3793 -521.677 PRESSAVG: 1539800 8.35509 17.7569 -21.2325 17.7569 -4.31919 -16.4515 -21.2324 -16.4514 -8.34856 GPRESSAVG: 1539800 7.57423 16.6449 -20.4693 17.6795 -4.54141 -17.0026 -19.9363 -14.7802 -7.15394 TIMING: 1539800 CPU: 4809.71, 0.00314331/step Wall: 4809.71, 0.00314331/step, 3.02125 hours remaining, 233.742188 MB of memory in use. ENERGY: 1539800 4017.3179 20496.7598 14357.2319 247.8926 -202926.9395 2660.8870 0.0000 0.0000 52029.9241 -109116.9262 299.0167 -161146.8503 -108762.2271 299.3436 -326.1184 -299.4754 765870.3112 -1.4376 -1.3737 PRESSURE: 1540000 239.147 195.346 179.09 195.346 124.803 -26.6232 179.09 -26.6228 220.09 GPRESSURE: 1540000 300.313 313.711 137.658 139.523 91.9002 40.8619 123.93 -111.064 254.645 PRESSAVG: 1540000 101.238 72.2669 -9.13717 72.2669 -15.5164 -50.0013 -9.13716 -50.0013 -13.0582 GPRESSAVG: 1540000 100.786 72.9628 -9.82906 73.2788 -15.8498 -49.4545 -8.8602 -50.9757 -12.4395 TIMING: 1540000 CPU: 4810.34, 0.00312611/step Wall: 4810.34, 0.00312611/step, 3.00454 hours remaining, 233.742188 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: 1540000 3921.5254 20506.4008 14379.6085 233.9599 -203151.7361 2794.0396 0.0000 0.0000 52070.9093 -109245.2927 299.2522 -161316.2020 -108887.4228 298.9592 194.6801 215.6194 763727.6236 24.2210 24.1654 PRESSURE: 1540200 -125.461 52.4331 58.4633 52.4334 6.59535 -188.343 58.4642 -188.345 215.938 GPRESSURE: 1540200 -37.3298 80.7401 25.0195 77.0528 -71.1503 -273.074 28.729 -101.762 313.721 PRESSAVG: 1540200 -35.1649 6.51353 42.5884 6.5135 11.4358 -36.4734 42.5883 -36.4733 3.18774 GPRESSAVG: 1540200 -34.8632 6.42717 42.0197 5.46618 12.5069 -34.4289 41.6246 -36.6697 1.75663 TIMING: 1540200 CPU: 4810.96, 0.00313284/step Wall: 4810.96, 0.00313284/step, 3.01083 hours remaining, 233.742188 MB of memory in use. ENERGY: 1540200 3926.8788 20460.8154 14403.6975 251.4292 -203104.5024 2761.5814 0.0000 0.0000 52083.5559 -109216.5442 299.3249 -161300.1001 -108850.8014 299.1286 32.3573 68.4137 761787.3935 -6.8471 -6.8666 LDB: ============= START OF LOAD BALANCING ============== 4823.44 LDB: ============== END OF LOAD BALANCING =============== 4823.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4823.44 LDB: ============= START OF LOAD BALANCING ============== 4823.76 LDB: Largest compute 6972 load 0.028416 is 14.6% of average load 0.195051 LDB: Average compute 0.004381 is 2.2% of average load 0.195051 LDB: TIME 4823.76 LOAD: AVG 0.195051 MAX 0.213468 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 4823.76 LOAD: AVG 0.195051 MAX 0.213468 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: TIME 4823.76 LOAD: AVG 0.195051 MAX 0.213468 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: ============== END OF LOAD BALANCING =============== 4823.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4823.77 PRESSURE: 1540400 4.69591 -121.168 157.177 -121.168 48.0872 -51.2862 157.178 -51.2862 34.1947 GPRESSURE: 1540400 35.073 -102.357 160.965 -97.7247 42.3719 -4.0976 63.0824 -151.273 92.5052 PRESSAVG: 1540400 29.1489 9.19805 30.6 9.19811 -24.3912 -35.5752 30.6001 -35.5752 12.2699 GPRESSAVG: 1540400 28.6006 5.89447 30.8188 10.467 -25.3284 -36.9612 31.0965 -36.2329 13.6818 TIMING: 1540400 CPU: 4811.6, 0.00319491/step Wall: 4811.6, 0.00319491/step, 3.07031 hours remaining, 233.230469 MB of memory in use. ENERGY: 1540400 3974.1849 20428.1011 14445.7633 252.1762 -203188.4272 2749.8033 0.0000 0.0000 52068.2806 -109270.1178 299.2371 -161338.3984 -108909.2596 298.6505 28.9926 56.6501 764933.5951 5.6759 5.6514 PRESSURE: 1540600 32.0681 -263.785 163.212 -263.786 -65.0469 -161.698 163.213 -161.698 -20.9466 GPRESSURE: 1540600 94.0267 -284.027 230.31 -125.276 3.41118 -225.778 157.365 -61.2356 -50.4661 PRESSAVG: 1540600 3.43617 -33.1134 14.7228 -33.1134 -20.4263 -57.0917 14.7228 -57.0918 -14.795 GPRESSAVG: 1540600 3.84792 -27.9972 15.5677 -37.201 -20.1108 -56.2808 16.1709 -54.7945 -15.9954 TIMING: 1540600 CPU: 4812.23, 0.00313315/step Wall: 4812.23, 0.00313315/step, 3.01078 hours remaining, 233.230469 MB of memory in use. ENERGY: 1540600 4036.8212 20328.6505 14410.5793 260.0857 -203267.2030 2680.3022 0.0000 0.0000 52152.3771 -109398.3870 299.7204 -161550.7641 -109032.8137 298.7211 -17.9751 15.6573 764450.9405 -10.5950 -10.7527 PRESSURE: 1540800 41.2641 -98.8024 210.145 -98.8024 -213.881 77.7783 210.145 77.7774 -344.042 GPRESSURE: 1540800 85.4222 -143.539 196.5 -90.9159 -230.173 78.642 237.003 38.0378 -317.899 PRESSAVG: 1540800 -18.934 -24.1123 2.20754 -24.1123 -10.0608 -84.2535 2.20754 -84.2536 11.7622 GPRESSAVG: 1540800 -18.5619 -26.0969 2.50848 -20.0475 -10.5559 -84.4764 0.822142 -84.8482 11.6602 TIMING: 1540800 CPU: 4812.85, 0.00312533/step Wall: 4812.85, 0.00312533/step, 3.0031 hours remaining, 233.230469 MB of memory in use. ENERGY: 1540800 3972.2802 20532.3593 14346.1739 248.1986 -203303.4754 2838.9364 0.0000 0.0000 52023.7745 -109341.7525 298.9813 -161365.5270 -108979.7119 298.4067 -172.2196 -154.2168 763551.0472 -5.7442 -5.8192 PRESSURE: 1541000 -31.1615 -93.7243 237.458 -93.7245 -70.6128 54.8191 237.458 54.8188 -54.9348 GPRESSURE: 1541000 -13.1552 -83.353 149.933 -126.772 -4.95505 131.988 214.931 81.0723 -79.5935 PRESSAVG: 1541000 -21.3417 -36.0162 -1.70987 -36.0163 -46.734 0.387034 -1.7099 0.387021 -30.7727 GPRESSAVG: 1541000 -21.996 -35.0279 -3.62628 -39.0713 -46.6702 2.35412 -1.80148 -2.8172 -30.5504 TIMING: 1541000 CPU: 4813.48, 0.00313689/step Wall: 4813.48, 0.00313689/step, 3.01403 hours remaining, 233.230469 MB of memory in use. ENERGY: 1541000 4028.1268 20544.8869 14405.8705 253.1039 -203407.4830 2813.4754 0.0000 0.0000 52196.7944 -109165.2251 299.9757 -161362.0195 -108804.1427 298.9832 -52.2364 -32.5679 764536.9855 -32.9495 -33.0722 PRESSURE: 1541200 -188.057 -63.4247 -146.815 -63.4246 -431.8 76.149 -146.816 76.1496 -285.528 GPRESSURE: 1541200 -192.785 2.88629 -101.723 16.8806 -429.037 80.9117 -139.014 0.63396 -199.065 PRESSAVG: 1541200 28.4486 -16.0659 36.78 -16.0659 -29.4997 25.0721 36.78 25.0721 -12.967 GPRESSAVG: 1541200 28.5892 -18.6902 37.9016 -14.9847 -29.8222 24.4249 39.3328 27.0231 -13.1827 TIMING: 1541200 CPU: 4814.11, 0.00313363/step Wall: 4814.11, 0.00313363/step, 3.01073 hours remaining, 233.230469 MB of memory in use. ENERGY: 1541200 3964.7369 20650.3608 14463.9353 249.9110 -203422.0238 2767.3061 0.0000 0.0000 52244.1497 -109081.6239 300.2478 -161325.7736 -108717.1918 299.3554 -301.7951 -273.6289 763079.6506 -4.6727 -4.8052 PRESSURE: 1541400 77.0925 27.9195 342.021 27.9183 106.422 -174.761 342.022 -174.761 -266.754 GPRESSURE: 1541400 200.499 -126.021 383.471 51.3151 157.867 -123.716 292.131 -91.637 -344.438 PRESSAVG: 1541400 43.4586 -46.1643 47.5055 -46.1643 -64.0547 -70.0068 47.5055 -70.0069 -16.6345 GPRESSAVG: 1541400 43.1587 -46.2098 47.1644 -44.4058 -63.0049 -70.8923 45.7486 -69.6194 -17.4128 TIMING: 1541400 CPU: 4814.73, 0.00313693/step Wall: 4814.73, 0.00313693/step, 3.01371 hours remaining, 233.230469 MB of memory in use. ENERGY: 1541400 4058.0298 20569.2437 14464.2505 255.4588 -203420.7925 2725.8116 0.0000 0.0000 52229.1810 -109118.8171 300.1618 -161347.9981 -108747.2666 299.8092 -27.7466 4.6426 761944.3425 -12.4102 -12.4197 PRESSURE: 1541600 316.369 -268.042 -96.1292 -268.042 -75.9962 60.1875 -96.13 60.187 -32.6017 GPRESSURE: 1541600 280.047 -161.218 -82.3571 -296.948 6.4315 21.2915 -145.924 -80.7486 -5.28669 PRESSAVG: 1541600 30.3108 -64.2039 71.0655 -64.204 3.04966 -16.1982 71.0655 -16.1982 6.83168 GPRESSAVG: 1541600 31.4256 -64.1038 73.1564 -64.3875 2.57241 -16.6615 69.2922 -16.1936 7.02242 TIMING: 1541600 CPU: 4815.36, 0.00312761/step Wall: 4815.36, 0.00312761/step, 3.00459 hours remaining, 233.230469 MB of memory in use. ENERGY: 1541600 3989.9927 20573.7717 14396.7096 232.6602 -203428.0154 2732.0809 0.0000 0.0000 52288.4205 -109214.3798 300.5023 -161502.8004 -108859.0779 299.2183 69.2572 93.7305 761671.6109 13.3974 13.6735 PRESSURE: 1541800 145.822 44.8501 -157.972 44.8506 91.088 -63.9834 -157.971 -63.9831 -179.793 GPRESSURE: 1541800 249.299 -77.3502 -165.597 20.2489 35.4429 -87.925 13.3797 -47.7256 -149.579 PRESSAVG: 1541800 80.0972 18.5267 24.7415 18.5267 -46.0817 -15.2169 24.7416 -15.2169 -1.5272 GPRESSAVG: 1541800 81.1315 18.9486 22.8319 17.2151 -46.8605 -15.5336 27.3279 -13.719 -2.14134 TIMING: 1541800 CPU: 4815.99, 0.00312848/step Wall: 4815.99, 0.00312848/step, 3.00525 hours remaining, 233.230469 MB of memory in use. ENERGY: 1541800 3967.1752 20495.0893 14339.1701 240.7131 -202923.4258 2620.9775 0.0000 0.0000 52058.8185 -109201.4822 299.1827 -161260.3006 -108835.0486 299.5408 19.0390 45.0543 762271.4444 10.8294 10.7099 PRESSURE: 1542000 111.27 -246.543 -84.6337 -246.543 -372.895 -20.0144 -84.633 -20.0155 -111.894 GPRESSURE: 1542000 107.324 -223.333 -74.0677 -102.924 -306.015 -75.0828 -132.77 56.5289 -87.7545 PRESSAVG: 1542000 57.4446 -73.915 5.57575 -73.9151 -86.6377 35.6295 5.57575 35.6295 17.7316 GPRESSAVG: 1542000 55.6915 -74.2635 4.9711 -73.4368 -85.1928 34.6818 5.68112 34.8364 18.4851 TIMING: 1542000 CPU: 4816.61, 0.00312307/step Wall: 4816.61, 0.00312307/step, 2.99988 hours remaining, 233.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1542000 3998.9296 20607.4237 14424.2768 242.4455 -203088.9388 2621.6934 0.0000 0.0000 52011.9543 -109182.2154 298.9134 -161194.1698 -108829.4302 299.2008 -124.5064 -95.4820 763674.1186 -3.8205 -3.6720 PRESSURE: 1542200 -110.084 124.95 -164.029 124.949 111.302 27.5766 -164.029 27.575 -288.466 GPRESSURE: 1542200 -29.3777 164.776 -162.715 99.9531 53.7806 -3.90383 -152.221 -60.939 -228.918 PRESSAVG: 1542200 23.6385 -30.783 -49.8219 -30.783 -14.9245 -3.56935 -49.8219 -3.56943 -2.54328 GPRESSAVG: 1542200 24.1211 -30.6305 -49.1082 -29.0689 -17.3156 -2.29569 -49.8894 -3.33462 -1.21207 TIMING: 1542200 CPU: 4817.24, 0.00312932/step Wall: 4817.24, 0.00312932/step, 3.00571 hours remaining, 233.230469 MB of memory in use. ENERGY: 1542200 3978.4463 20331.3185 14506.6904 243.0555 -202986.7691 2652.5525 0.0000 0.0000 52162.7125 -109111.9934 299.7798 -161274.7059 -108749.2719 299.4507 -95.7496 -68.1717 762962.1130 2.0569 1.8645 PRESSURE: 1542400 -101.053 66.3803 -102.102 66.3796 -88.0046 -266.978 -102.102 -266.979 253.093 GPRESSURE: 1542400 -39.802 89.9155 -68.3888 5.68137 -34.1498 -240.403 -167.526 -326.055 205.566 PRESSAVG: 1542400 46.7947 -8.67055 -83.6816 -8.67055 -4.59923 17.4223 -83.6817 17.4224 12.3936 GPRESSAVG: 1542400 46.7299 -7.75017 -83.6655 -11.2334 -3.3269 17.7072 -84.733 14.905 10.7907 TIMING: 1542400 CPU: 4817.86, 0.00312538/step Wall: 4817.86, 0.00312538/step, 3.00175 hours remaining, 233.230469 MB of memory in use. ENERGY: 1542400 3967.3057 20544.5034 14500.1711 253.2127 -202895.3037 2441.8519 0.0000 0.0000 52135.5957 -109052.6633 299.6240 -161188.2590 -108690.6394 299.4385 21.3450 43.8715 763146.9627 18.1964 18.0646 PRESSURE: 1542600 522.085 207.824 -196.747 207.824 -7.88647 -67.4144 -196.746 -67.4149 52.0031 GPRESSURE: 1542600 560.759 -36.1059 -225.743 127.726 58.5781 -92.43 -189.164 -127.798 31.4996 PRESSAVG: 1542600 69.1972 -12.5489 -59.7944 -12.5489 -83.4514 -20.9463 -59.7944 -20.9463 -4.35567 GPRESSAVG: 1542600 68.7635 -12.1287 -59.9264 -12.979 -83.898 -20.1554 -58.8203 -20.4566 -3.45172 TIMING: 1542600 CPU: 4818.49, 0.00312206/step Wall: 4818.49, 0.00312206/step, 2.99839 hours remaining, 233.230469 MB of memory in use. ENERGY: 1542600 4030.2172 20555.8222 14466.2373 248.7139 -203095.5461 2741.7306 0.0000 0.0000 51735.9757 -109316.8493 297.3274 -161052.8250 -108947.3593 299.4636 188.7339 216.9455 762333.3342 -6.2033 -6.1954 PRESSURE: 1542800 134.782 -205.19 75.7607 -205.189 359.839 148.221 75.7611 148.22 460.907 GPRESSURE: 1542800 223.235 -109.742 125.236 -41.8734 382.966 141.521 -90.2248 305.528 422.75 PRESSAVG: 1542800 29.4111 17.0713 -13.6409 17.0713 -18.4508 0.387244 -13.6409 0.387171 17.8109 GPRESSAVG: 1542800 30.1251 16.3602 -13.1861 18.5921 -19.0864 -0.749172 -15.6661 3.38725 17.2553 TIMING: 1542800 CPU: 4819.11, 0.00311951/step Wall: 4819.11, 0.00311951/step, 2.99577 hours remaining, 233.230469 MB of memory in use. ENERGY: 1542800 3989.4213 20493.8097 14456.0195 259.0434 -203678.9979 3012.0681 0.0000 0.0000 52306.1239 -109162.5120 300.6040 -161468.6359 -108801.0980 299.1115 318.5093 342.9836 761507.2274 9.5904 9.4313 PRESSURE: 1543000 173.659 26.7809 -325.951 26.7808 96.7045 -120.147 -325.951 -120.147 160.54 GPRESSURE: 1543000 194.376 -41.4221 -316.479 73.9714 111.678 -172.181 -150.764 -85.9917 203.089 PRESSAVG: 1543000 4.17972 31.8101 -23.4931 31.8101 -40.0517 -19.6319 -23.4931 -19.6319 -16.9587 GPRESSAVG: 1543000 3.39113 32.8642 -22.326 30.9828 -39.5423 -20.5408 -21.8743 -20.2641 -16.3785 TIMING: 1543000 CPU: 4819.73, 0.0031224/step Wall: 4819.73, 0.0031224/step, 2.99837 hours remaining, 233.230469 MB of memory in use. ENERGY: 1543000 3928.4900 20711.4167 14459.0621 248.1076 -203324.1933 2852.6292 0.0000 0.0000 52013.4268 -109111.0609 298.9219 -161124.4877 -108749.3839 299.6928 143.6342 169.7141 762938.1291 -17.6102 -17.5099 PRESSURE: 1543200 -48.9437 185.28 133.3 185.28 279.774 -207.912 133.3 -207.912 31.5872 GPRESSURE: 1543200 -33.5897 228.768 107.542 20.2986 341.134 -235.926 141.058 -283.103 45.457 PRESSAVG: 1543200 53.7703 60.4446 -41.6377 60.4446 -47.0525 -47.6046 -41.6376 -47.6045 -4.4626 GPRESSAVG: 1543200 54.5891 57.9431 -42.3548 59.0838 -46.3153 -46.452 -42.2946 -48.0792 -5.94032 TIMING: 1543200 CPU: 4820.36, 0.0031433/step Wall: 4820.36, 0.0031433/step, 3.01827 hours remaining, 233.230469 MB of memory in use. ENERGY: 1543200 4032.9716 20470.2850 14465.8364 243.3201 -203643.9557 3066.7501 0.0000 0.0000 52263.5354 -109101.2571 300.3593 -161364.7925 -108734.3912 299.9180 87.4726 117.6670 763007.7426 0.7517 0.7778 PRESSURE: 1543400 44.0834 71.2893 84.7936 71.2892 -26.8776 20.9391 84.7938 20.9396 142.408 GPRESSURE: 1543400 104.721 11.2069 46.1605 32.5657 61.1041 -55.0049 80.8134 28.7705 83.5803 PRESSAVG: 1543400 63.4338 -24.1687 -60.5469 -24.1687 -31.3147 -52.587 -60.5469 -52.587 8.17512 GPRESSAVG: 1543400 63.4841 -21.8435 -60.391 -24.7582 -32.396 -53.1245 -58.525 -52.2351 9.61676 TIMING: 1543400 CPU: 4820.99, 0.00312918/step Wall: 4820.99, 0.00312918/step, 3.00454 hours remaining, 233.230469 MB of memory in use. ENERGY: 1543400 3890.7266 20559.6312 14436.4314 238.2381 -203357.5387 2874.9173 0.0000 0.0000 52243.1769 -109114.4172 300.2423 -161357.5941 -108762.2023 299.6962 53.2046 83.1350 764940.7305 13.4314 13.5683 PRESSURE: 1543600 300.16 215.851 194.266 215.851 -113.798 95.5461 194.266 95.5465 -137.673 GPRESSURE: 1543600 343.406 225.343 41.7553 177.389 -113.128 80.2257 243.611 -6.65139 -91.0662 PRESSAVG: 1543600 15.9859 13.2929 -5.38573 13.2929 12.5468 32.5329 -5.38572 32.5329 19.9628 GPRESSAVG: 1543600 16.6736 12.5192 -5.81225 16.0691 13.0962 32.0103 -6.73058 30.1419 18.9043 TIMING: 1543600 CPU: 4821.62, 0.00313362/step Wall: 4821.62, 0.00313362/step, 3.00862 hours remaining, 233.230469 MB of memory in use. ENERGY: 1543600 3882.0548 20534.9682 14396.7241 269.2385 -203107.5662 2501.7276 0.0000 0.0000 52187.4698 -109335.3832 299.9221 -161522.8529 -108967.0171 299.0048 16.2298 46.4037 766494.8444 16.1652 16.2247 PRESSURE: 1543800 93.1625 292.018 110.103 292.019 -168.607 -121.241 110.103 -121.242 42.9436 GPRESSURE: 1543800 176.369 246.15 133.721 264.951 -153.779 -69.8616 102.205 -11.7574 27.7847 PRESSAVG: 1543800 -17.1765 30.7191 7.09671 30.719 -48.7525 44.1969 7.09665 44.1969 2.46674 GPRESSAVG: 1543800 -17.3358 30.9671 7.6527 27.962 -48.9733 45.504 7.67628 46.1515 2.81527 TIMING: 1543800 CPU: 4822.24, 0.00313307/step Wall: 4822.24, 0.00313307/step, 3.00792 hours remaining, 233.230469 MB of memory in use. ENERGY: 1543800 3964.7569 20532.3423 14453.2629 237.5211 -203593.4664 2804.7873 0.0000 0.0000 51980.4384 -109620.3574 298.7323 -161600.7958 -109261.1411 298.5437 -10.8335 16.7914 764750.7007 -21.1541 -21.1646 PRESSURE: 1544000 84.4243 -77.1208 -185.333 -77.1213 161.485 -205.028 -185.334 -205.027 38.8022 GPRESSURE: 1544000 -18.0762 -18.9469 -159.4 2.01183 301.631 -229.778 -187.491 -240.975 98.0883 PRESSAVG: 1544000 -41.4078 24.4563 -13.042 24.4563 10.2332 -28.5651 -13.042 -28.5651 -6.4913 GPRESSAVG: 1544000 -42.3735 23.1204 -15.9969 26.8842 10.4185 -29.5366 -11.8805 -28.614 -5.45362 TIMING: 1544000 CPU: 4822.87, 0.00312946/step Wall: 4822.87, 0.00312946/step, 3.00429 hours remaining, 233.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1544000 4040.8704 20644.1464 14402.1254 243.5228 -203528.4399 2818.4690 0.0000 0.0000 51713.9962 -109665.3096 297.2010 -161379.3057 -109301.6819 297.9774 94.9037 127.2144 763290.0854 -12.5553 -12.4696 PRESSURE: 1544200 -131.012 40.844 163.75 40.8441 175.659 -57.8535 163.75 -57.8538 139.77 GPRESSURE: 1544200 -93.0396 -64.2723 243.97 48.2342 177.082 -53.8733 160.772 -106.24 183.133 PRESSAVG: 1544200 -12.5791 -18.3939 -81.0841 -18.3939 22.6966 -15.6793 -81.0841 -15.6792 -12.9658 GPRESSAVG: 1544200 -13.1751 -17.6979 -80.4681 -19.6 22.6068 -16.22 -81.8062 -15.9497 -12.8021 TIMING: 1544200 CPU: 4823.49, 0.00312503/step Wall: 4823.49, 0.00312503/step, 2.99985 hours remaining, 233.230469 MB of memory in use. ENERGY: 1544200 3997.6339 20478.5239 14427.0207 229.3116 -203526.4091 2702.2591 0.0000 0.0000 51993.4769 -109698.1830 298.8072 -161691.6599 -109335.5015 297.8279 61.4722 89.0585 765225.7692 -0.9495 -1.1235 LDB: ============= START OF LOAD BALANCING ============== 4835.97 LDB: ============== END OF LOAD BALANCING =============== 4835.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4835.97 LDB: ============= START OF LOAD BALANCING ============== 4836.29 LDB: Largest compute 7062 load 0.028994 is 14.9% of average load 0.195112 LDB: Average compute 0.004388 is 2.2% of average load 0.195112 LDB: TIME 4836.29 LOAD: AVG 0.195112 MAX 0.214849 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.766 MB LDB: TIME 4836.29 LOAD: AVG 0.195112 MAX 0.214849 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.969 MB LDB: TIME 4836.29 LOAD: AVG 0.195112 MAX 0.214849 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.969 MB LDB: ============== END OF LOAD BALANCING =============== 4836.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4836.3 PRESSURE: 1544400 -258.007 -42.1053 16.6245 -42.1059 -47.2465 306.102 16.6253 306.102 -181.477 GPRESSURE: 1544400 -150.197 -66.1187 -7.06338 -83.3006 -39.8117 209.277 -137.035 334.268 -210.117 PRESSAVG: 1544400 -15.5077 -26.0652 -27.4515 -26.0652 -24.4673 -21.5037 -27.4515 -21.5036 -14.1273 GPRESSAVG: 1544400 -14.1508 -25.6676 -26.6726 -26.4778 -24.8832 -20.6911 -26.9401 -22.1675 -14.9402 TIMING: 1544400 CPU: 4824.13, 0.00320379/step Wall: 4824.13, 0.00320379/step, 3.07528 hours remaining, 235.023438 MB of memory in use. ENERGY: 1544400 4064.2083 20389.5082 14512.8670 234.5412 -203341.9458 2698.3003 0.0000 0.0000 51770.9735 -109671.5474 297.5285 -161442.5209 -109314.2807 298.2395 -162.2433 -133.3754 763775.1922 -18.0341 -17.9914 PRESSURE: 1544600 -126.178 -35.2405 156.705 -35.2407 -53.326 -145.882 156.705 -145.882 303 GPRESSURE: 1544600 -125.473 17.2279 156.648 -10.6608 115.849 -48.1558 142.109 -32.9145 225.678 PRESSAVG: 1544600 -39.3295 26.6525 20.1752 26.6525 53.2012 13.8152 20.1752 13.8152 -2.66307 GPRESSAVG: 1544600 -40.3009 28.4877 19.4243 27.9587 54.9054 13.2702 19.8933 16.6178 -3.02034 TIMING: 1544600 CPU: 4824.76, 0.00314046/step Wall: 4824.76, 0.00314046/step, 3.01431 hours remaining, 235.023438 MB of memory in use. ENERGY: 1544600 3925.7241 20269.4269 14395.5680 243.3519 -203313.9173 2652.4558 0.0000 0.0000 52253.5906 -109573.8000 300.3021 -161827.3906 -109204.4796 298.3852 41.1652 72.0179 762865.4778 3.7362 3.8614 PRESSURE: 1544800 -69.2398 -134.703 132.15 -134.703 -171.155 -141.556 132.15 -141.556 59.5862 GPRESSURE: 1544800 26.9882 -103.522 102.954 -185.856 -165.717 -139.316 112.773 -171.942 38.0654 PRESSAVG: 1544800 -16.3519 -14.5704 2.45773 -14.5705 -11.5918 31.697 2.45771 31.6971 18.0638 GPRESSAVG: 1544800 -15.719 -14.5515 2.33648 -18.2246 -11.4336 29.9555 0.228593 29.7298 17.6078 TIMING: 1544800 CPU: 4825.39, 0.00313083/step Wall: 4825.39, 0.00313083/step, 3.0049 hours remaining, 235.023438 MB of memory in use. ENERGY: 1544800 3977.1111 20452.3632 14381.6335 249.8341 -203396.8658 2926.4631 0.0000 0.0000 51966.2761 -109443.1847 298.6509 -161409.4608 -109090.6651 298.4044 -60.2695 -33.5546 763553.9685 -3.2933 -3.1816 PRESSURE: 1545000 -25.4991 -45.7002 22.0168 -45.7003 -372.069 -75.9046 22.0174 -75.9051 -209.223 GPRESSURE: 1545000 -37.7063 -6.46937 -36.908 -15.8647 -220.497 6.7974 -39.5621 -107.398 -256.001 PRESSAVG: 1545000 6.2788 7.64284 14.7515 7.64281 -17.1068 -31.2761 14.7515 -31.2761 7.81048 GPRESSAVG: 1545000 7.13167 6.51086 13.5972 9.54106 -18.2548 -28.9959 18.2397 -29.609 8.57012 TIMING: 1545000 CPU: 4826.01, 0.00312944/step Wall: 4826.01, 0.00312944/step, 3.00339 hours remaining, 235.023438 MB of memory in use. ENERGY: 1545000 3996.8760 20448.5645 14363.4173 220.3275 -202840.4083 2412.0499 0.0000 0.0000 52238.0854 -109161.0877 300.2130 -161399.1731 -108792.3669 299.1910 -202.2636 -171.4014 762645.9562 -1.0058 -0.8510 PRESSURE: 1545200 -75.0395 -22.1087 -114.18 -22.1081 -84.8369 29.8819 -114.18 29.8816 -117.425 GPRESSURE: 1545200 -59.4183 13.7933 -180.357 50.6261 1.93951 -19.4443 -91.4194 73.4888 -135.014 PRESSAVG: 1545200 38.2321 -11.7005 1.18049 -11.7005 -43.4216 -6.61585 1.1804 -6.61583 11.6171 GPRESSAVG: 1545200 37.5886 -12.6745 3.20753 -11.5142 -41.569 -6.81286 -0.709813 -8.31869 10.8146 TIMING: 1545200 CPU: 4826.64, 0.00312512/step Wall: 4826.64, 0.00312512/step, 2.99908 hours remaining, 235.023438 MB of memory in use. ENERGY: 1545200 4080.0922 20540.2888 14355.8654 247.5806 -203018.7921 2595.1264 0.0000 0.0000 52091.8899 -109107.9488 299.3728 -161199.8387 -108744.5197 299.2616 -92.4337 -64.1642 762768.6434 2.1425 2.2781 PRESSURE: 1545400 102.097 -53.9206 59.1036 -53.9203 537.923 -4.0742 59.1035 -4.07337 163.251 GPRESSURE: 1545400 220.687 39.1332 48.3798 -59.2488 468.011 -7.34571 13.8574 -32.125 190.741 PRESSAVG: 1545400 39.8971 -20.6229 8.94098 -20.6229 -3.88073 26.8734 8.94097 26.8735 8.73885 GPRESSAVG: 1545400 39.5835 -18.7873 8.82354 -21.3879 -5.23979 25.2028 7.96794 29.2651 10.4044 TIMING: 1545400 CPU: 4827.26, 0.00312233/step Wall: 4827.26, 0.00312233/step, 2.99622 hours remaining, 235.023438 MB of memory in use. ENERGY: 1545400 4044.0669 20710.4735 14427.4427 232.9744 -203416.5273 2765.5933 0.0000 0.0000 52360.6712 -108875.3053 300.9175 -161235.9765 -108520.1683 300.0132 267.7568 293.1461 760867.8854 14.9184 14.9160 PRESSURE: 1545600 76.2334 -63.0155 268.594 -63.0155 199.871 40.9356 268.595 40.9376 23.8641 GPRESSURE: 1545600 61.9572 -84.8075 297.163 -79.519 297.889 -21.9171 178.385 12.886 17.3517 PRESSAVG: 1545600 36.2273 -1.59664 80.2919 -1.59663 28.5499 -37.4609 80.2919 -37.4609 -33.2524 GPRESSAVG: 1545600 36.0567 -0.399608 80.3881 -1.99603 29.0235 -36.5837 80.3666 -39.5325 -33.4841 TIMING: 1545600 CPU: 4827.89, 0.00311354/step Wall: 4827.89, 0.00311354/step, 2.98761 hours remaining, 235.023438 MB of memory in use. ENERGY: 1545600 4047.0222 20573.6343 14411.0470 232.4448 -203839.0867 3269.6437 0.0000 0.0000 52305.6926 -108999.6022 300.6015 -161305.2948 -108639.9765 300.2638 99.9896 125.7328 760494.6870 10.5083 10.5320 PRESSURE: 1545800 17.9491 -15.1241 5.51939 -15.1244 49.4088 -98.4977 5.51903 -98.4981 199.506 GPRESSURE: 1545800 102.836 -2.17147 -45.4345 -63.7851 7.16598 -54.3607 63.2257 46.8254 236.24 PRESSAVG: 1545800 14.6708 25.6134 77.2254 25.6134 -24.5434 -20.1027 77.2254 -20.1027 26.8176 GPRESSAVG: 1545800 15.2116 21.507 75.7408 26.2657 -24.8667 -18.2916 76.242 -19.0959 26.252 TIMING: 1545800 CPU: 4828.51, 0.00311444/step Wall: 4828.51, 0.00311444/step, 2.9883 hours remaining, 235.023438 MB of memory in use. ENERGY: 1545800 3996.4379 20477.7961 14441.6495 265.4973 -203259.9802 2694.5260 0.0000 0.0000 51961.0990 -109422.9744 298.6212 -161384.0734 -109067.2314 299.6536 88.9547 115.4138 763759.6385 5.6483 5.5323 PRESSURE: 1546000 -211.504 70.264 63.524 70.2645 -246.069 53.4857 63.5242 53.4862 -640.532 GPRESSURE: 1546000 -207.85 114.135 -31.9635 106.959 -121.158 164.462 67.037 24.1728 -683.702 PRESSAVG: 1546000 9.64096 27.9808 -11.0326 27.9808 55.7093 40.8722 -11.0326 40.8723 13.9017 GPRESSAVG: 1546000 8.88998 30.3648 -9.12792 26.3696 55.9035 40.074 -9.71712 39.6361 14.2117 TIMING: 1546000 CPU: 4829.13, 0.00312843/step Wall: 4829.13, 0.00312843/step, 3.00156 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1546000 3961.2856 20441.0272 14390.4611 258.5526 -203075.5007 2476.3137 0.0000 0.0000 52135.9931 -109411.8673 299.6263 -161547.8604 -109042.8702 298.5998 -366.0353 -337.5699 763867.5666 26.4173 26.3351 PRESSURE: 1546200 112.669 130.506 -21.6457 130.507 -27.7082 -99.5998 -21.6453 -99.599 102.607 GPRESSURE: 1546200 203.935 90.6438 -22.2398 141.651 -83.4971 -40.8726 -69.4742 -47.1187 144.28 PRESSAVG: 1546200 -33.7801 25.2728 49.9225 25.2728 -6.65815 36.6873 49.9226 36.6873 -4.89393 GPRESSAVG: 1546200 -33.016 24.1674 48.8076 25.8302 -7.52599 35.5273 52.3454 36.8853 -4.98187 TIMING: 1546200 CPU: 4829.76, 0.00312435/step Wall: 4829.76, 0.00312435/step, 2.99747 hours remaining, 235.023438 MB of memory in use. ENERGY: 1546200 4009.6919 20616.9552 14443.9668 249.8597 -203651.6920 2961.4586 0.0000 0.0000 52064.3480 -109305.4118 299.2145 -161369.7598 -108941.9482 298.6954 62.5226 88.2395 761536.2622 -15.1107 -15.1746 PRESSURE: 1546400 -320.844 -16.7361 23.7048 -16.7361 -325.646 87.2683 23.7047 87.2685 -3.3608 GPRESSURE: 1546400 -331.065 -30.5061 8.60038 101.235 -271.954 71.2144 28.8389 154.662 30.7056 PRESSAVG: 1546400 27.5214 11.2676 13.5198 11.2676 8.21428 49.8372 13.5198 49.8371 13.2239 GPRESSAVG: 1546400 26.4143 13.4114 13.46 12.1313 9.22155 50.2505 11.6225 50.1982 13.8607 TIMING: 1546400 CPU: 4830.38, 0.00312556/step Wall: 4830.38, 0.00312556/step, 2.99845 hours remaining, 235.023438 MB of memory in use. ENERGY: 1546400 4021.7679 20501.4788 14446.3966 242.2741 -203099.7791 2559.2298 0.0000 0.0000 51994.0412 -109334.5907 298.8105 -161328.6319 -108968.8945 299.3073 -216.6169 -190.7709 762516.8430 16.3199 16.4988 PRESSURE: 1546600 -25.5196 -124.725 -139.139 -124.725 201.803 -76.0308 -139.138 -76.0313 45.7085 GPRESSURE: 1546600 -29.8015 -156.251 -38.9451 -200.43 231.456 -130.928 -89.3956 -80.7274 125.57 PRESSAVG: 1546600 -11.0963 -31.5264 -15.6057 -31.5264 -8.40052 -15.1955 -15.6057 -15.1956 -18.7109 GPRESSAVG: 1546600 -10.5318 -32.1399 -16.4261 -32.4809 -8.27056 -14.7598 -14.0038 -13.9518 -19.5423 TIMING: 1546600 CPU: 4831.01, 0.00311298/step Wall: 4831.01, 0.00311298/step, 2.98622 hours remaining, 235.023438 MB of memory in use. ENERGY: 1546600 3895.3943 20543.6132 14422.9346 241.0353 -203548.6923 2870.6657 0.0000 0.0000 52050.1570 -109524.8922 299.1330 -161575.0492 -109165.7298 299.0718 73.9972 109.0746 762161.6180 -12.7359 -12.7816 PRESSURE: 1546800 -137.394 -101.163 -153.228 -101.162 -103.785 -82.5432 -153.228 -82.5433 740.186 GPRESSURE: 1546800 -50.2737 -48.0511 -244.513 -138.667 -33.0638 -222.377 -151.943 8.87542 669.796 PRESSAVG: 1546800 27.6824 -61.8108 -28.0952 -61.8108 -54.7232 -15.7907 -28.0952 -15.7908 8.93922 GPRESSAVG: 1546800 28.6565 -62.904 -26.4689 -61.205 -54.4728 -17.1495 -28.9079 -16.4314 8.79581 TIMING: 1546800 CPU: 4831.63, 0.00313302/step Wall: 4831.63, 0.00313302/step, 3.00526 hours remaining, 235.023438 MB of memory in use. ENERGY: 1546800 3862.9253 20302.5255 14466.4985 249.3625 -203733.5062 2988.5762 0.0000 0.0000 52302.9469 -109560.6713 300.5858 -161863.6182 -109184.6900 298.3154 166.3359 195.4863 760512.0523 -6.0339 -5.6735 PRESSURE: 1547000 6.45546 76.3216 143.074 76.3211 236.307 -18.9588 143.073 -18.9584 41.6924 GPRESSURE: 1547000 36.8869 95.9173 86.6712 120.525 200.929 -80.2939 271.79 -80.5444 121.524 PRESSAVG: 1547000 -0.166951 39.9465 15.0865 39.9466 -5.96199 -35.6751 15.0865 -35.675 6.74847 GPRESSAVG: 1547000 -0.715709 39.5771 14.6425 40.3509 -5.44769 -35.3776 13.9714 -35.941 6.55024 TIMING: 1547000 CPU: 4832.26, 0.0031454/step Wall: 4832.26, 0.0031454/step, 3.01697 hours remaining, 235.023438 MB of memory in use. ENERGY: 1547000 4026.4755 20498.0661 14476.6270 241.2001 -203233.5389 2638.9025 0.0000 0.0000 51963.5755 -109388.6922 298.6354 -161352.2677 -109023.2549 298.7893 94.8183 119.7801 763448.2964 0.2065 0.1289 PRESSURE: 1547200 -348.669 -77.1294 10.037 -77.1307 -242.357 65.3268 10.0363 65.3274 -249.77 GPRESSURE: 1547200 -276.49 -17.8572 -49.5167 0.054792 -205.432 165.156 -38.5138 80.8544 -277.241 PRESSAVG: 1547200 17.6324 1.26104 16.393 1.26107 -16.8642 -32.1416 16.3931 -32.1416 -9.40577 GPRESSAVG: 1547200 18.4385 2.28438 13.9789 1.78634 -17.7022 -32.6835 17.6045 -32.1851 -8.87808 TIMING: 1547200 CPU: 4832.89, 0.00315504/step Wall: 4832.89, 0.00315504/step, 3.02603 hours remaining, 235.023438 MB of memory in use. ENERGY: 1547200 4020.4605 20459.8918 14390.3592 248.3242 -203153.5132 2679.6941 0.0000 0.0000 52202.7606 -109152.0227 300.0100 -161354.7833 -108793.4911 299.0464 -280.2656 -253.0546 764951.2178 -2.8792 -2.7139 PRESSURE: 1547400 176.488 -27.6064 -142.73 -27.6067 163.972 221.465 -142.73 221.464 210.937 GPRESSURE: 1547400 142.696 56.0228 -145.686 -120.418 311.327 257.789 -32.4068 126.703 186.953 PRESSAVG: 1547400 46.4807 3.85089 -0.0947773 3.85096 6.27445 -1.53945 -0.0947713 -1.53948 -3.55213 GPRESSAVG: 1547400 46.7079 3.26771 2.5952 2.24763 6.76785 0.513707 -1.77523 -1.58599 -3.5615 TIMING: 1547400 CPU: 4833.52, 0.00313894/step Wall: 4833.52, 0.00313894/step, 3.01041 hours remaining, 235.023438 MB of memory in use. ENERGY: 1547400 3858.7683 20516.9299 14395.9916 264.8251 -203301.2370 3099.5946 0.0000 0.0000 51861.9489 -109303.1786 298.0513 -161165.1275 -108938.0226 299.1273 183.7992 213.6588 761564.4106 16.4010 16.6381 PRESSURE: 1547600 -3.26675 62.1161 -42.4209 62.116 233.33 -44.702 -42.4203 -44.7027 371.532 GPRESSURE: 1547600 4.09827 19.4526 -67.8505 -8.05064 270.154 -81.6858 -40.2029 44.3971 404.441 PRESSAVG: 1547600 77.2774 5.87432 36.0926 5.87431 -26.4512 -11.3088 36.0927 -11.3088 1.31248 GPRESSAVG: 1547600 76.1444 3.24776 34.8121 6.94749 -25.5172 -12.415 38.5593 -9.31248 1.79696 TIMING: 1547600 CPU: 4834.15, 0.00312966/step Wall: 4834.15, 0.00312966/step, 3.00134 hours remaining, 235.023438 MB of memory in use. ENERGY: 1547600 3917.9329 20487.8447 14477.0771 229.3765 -203019.3373 2553.6958 0.0000 0.0000 52124.0798 -109229.3305 299.5578 -161353.4103 -108863.6092 298.7335 200.5319 226.2311 761317.2551 17.3796 17.4747 PRESSURE: 1547800 -286.157 38.1867 141.917 38.1862 -144.323 144.739 141.918 144.74 -347.469 GPRESSURE: 1547800 -214.371 53.8685 118.675 29.3865 -168.932 135.971 31.717 156.163 -297.722 PRESSAVG: 1547800 34.3328 3.50092 23.8208 3.50093 -33.9923 -39.5956 23.8208 -39.5956 -7.90603 GPRESSAVG: 1547800 33.548 6.61301 26.3827 2.28285 -34.9249 -38.2693 20.2718 -42.7687 -7.32742 TIMING: 1547800 CPU: 4834.78, 0.0031414/step Wall: 4834.78, 0.0031414/step, 3.01243 hours remaining, 235.023438 MB of memory in use. ENERGY: 1547800 4009.4402 20320.5852 14372.8120 236.6407 -202968.7379 2372.4780 0.0000 0.0000 52180.6893 -109476.0925 299.8831 -161656.7818 -109098.3003 298.8018 -259.3164 -227.0082 762069.0121 -2.5218 -2.9015 PRESSURE: 1548000 -166.659 36.9307 281.565 36.9309 -96.4384 -312.974 281.563 -312.974 -254.556 GPRESSURE: 1548000 -88.5711 46.6244 227.145 -64.7538 -30.6373 -298.008 251.319 -186.646 -327.202 PRESSAVG: 1548000 5.02821 -2.88722 14.6397 -2.88723 -23.7833 -14.4851 14.6398 -14.4851 15.5479 GPRESSAVG: 1548000 5.48223 -3.56226 11.6172 -2.93955 -23.546 -15.0852 15.2478 -12.7456 14.7451 TIMING: 1548000 CPU: 4835.4, 0.0031169/step Wall: 4835.4, 0.0031169/step, 2.98876 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1548000 3949.2495 20551.6901 14475.8937 250.6739 -203190.8240 2659.1186 0.0000 0.0000 51902.5834 -109401.6147 298.2849 -161304.1981 -109045.8484 299.1114 -172.5513 -148.8036 763076.9098 -1.0691 -1.1062 PRESSURE: 1548200 87.1984 -105.317 215.545 -105.317 -251.831 -94.0133 215.544 -94.0129 337.899 GPRESSURE: 1548200 65.8184 -100.237 187.761 -191.429 -217.74 -74.8795 176.997 -27.144 409.258 PRESSAVG: 1548200 26.0494 -2.25693 9.78207 -2.25683 -14.2268 -18.0359 9.78203 -18.0359 -9.27062 GPRESSAVG: 1548200 25.6605 -2.0041 10.4225 -2.7299 -14.7009 -18.3804 10.6355 -18.0274 -8.33929 TIMING: 1548200 CPU: 4836.02, 0.00311695/step Wall: 4836.02, 0.00311695/step, 2.98863 hours remaining, 235.023438 MB of memory in use. ENERGY: 1548200 3987.8852 20389.7598 14411.7419 228.8245 -203134.5715 2687.5680 0.0000 0.0000 52225.8573 -109202.9348 300.1427 -161428.7921 -108840.6438 298.7804 57.7555 85.7787 761021.9336 0.8506 0.8734 LDB: ============= START OF LOAD BALANCING ============== 4848.5 LDB: ============== END OF LOAD BALANCING =============== 4848.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4848.5 LDB: ============= START OF LOAD BALANCING ============== 4848.82 LDB: Largest compute 6988 load 0.029608 is 15.2% of average load 0.195226 LDB: Average compute 0.004367 is 2.2% of average load 0.195226 LDB: TIME 4848.82 LOAD: AVG 0.195226 MAX 0.216581 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.434 MB LDB: TIME 4848.82 LOAD: AVG 0.195226 MAX 0.216581 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.637 MB LDB: TIME 4848.82 LOAD: AVG 0.195226 MAX 0.216581 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.637 MB LDB: ============== END OF LOAD BALANCING =============== 4848.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4848.83 PRESSURE: 1548400 -288.167 -20.744 161.208 -20.7437 378.225 131.068 161.208 131.069 18.5786 GPRESSURE: 1548400 -294.919 71.2564 107.917 -70.3102 493.678 129.74 168.572 253.986 6.00958 PRESSAVG: 1548400 -6.73128 -34.9287 4.08986 -34.9287 -4.56918 -5.35167 4.0899 -5.35168 21.8493 GPRESSAVG: 1548400 -5.46001 -36.4668 3.21204 -35.1465 -4.01003 -3.25694 4.9084 -4.62527 20.0877 TIMING: 1548400 CPU: 4836.66, 0.00319402/step Wall: 4836.66, 0.00319402/step, 3.06236 hours remaining, 233.539062 MB of memory in use. ENERGY: 1548400 4000.9473 20428.6984 14418.7929 249.0320 -203463.2624 2928.0659 0.0000 0.0000 51883.6179 -109554.1080 298.1759 -161437.7259 -109190.2730 299.1024 36.2123 68.2562 761275.6679 3.5163 3.5392 PRESSURE: 1548600 171.994 81.3258 121.352 81.3259 9.38295 -202.774 121.353 -202.773 92.1384 GPRESSURE: 1548600 164.317 51.9544 162.228 50.3128 38.5472 -165.136 23.0316 -214.368 151.829 PRESSAVG: 1548600 -5.72517 51.128 -33.2895 51.128 -27.9437 -30.9317 -33.2894 -30.9317 7.38946 GPRESSAVG: 1548600 -5.45601 52.4141 -32.1285 50.3367 -28.7569 -31.9604 -33.9811 -33.3881 8.58769 TIMING: 1548600 CPU: 4837.28, 0.00311192/step Wall: 4837.28, 0.00311192/step, 2.98347 hours remaining, 233.539062 MB of memory in use. ENERGY: 1548600 3963.3884 20386.7647 14475.2845 240.7350 -203714.3225 2912.5168 0.0000 0.0000 52071.0220 -109664.6110 299.2529 -161735.6329 -109301.3347 299.0102 91.1718 118.2309 762284.2216 -8.7598 -8.5417 PRESSURE: 1548800 -226.344 -67.1932 -159.12 -67.1924 275.837 -56.4647 -159.12 -56.4653 -146.124 GPRESSURE: 1548800 -88.9377 27.24 -179.329 -66.516 224.764 -82.7965 -138.253 -102.744 -141.602 PRESSAVG: 1548800 5.69844 12.5321 34.8562 12.5322 0.92983 6.0378 34.8562 6.03779 9.12899 GPRESSAVG: 1548800 6.15256 11.4916 34.3847 14.9144 -0.517922 6.93488 35.2868 6.81387 9.88334 TIMING: 1548800 CPU: 4837.91, 0.00310969/step Wall: 4837.91, 0.00310968/step, 2.98115 hours remaining, 233.539062 MB of memory in use. ENERGY: 1548800 4085.7033 20598.8960 14514.6163 234.0357 -203406.6162 2656.6716 0.0000 0.0000 51913.1238 -109403.5694 298.3454 -161316.6932 -109039.7336 298.8068 -32.2103 -1.9253 761471.1020 5.2524 5.1727 PRESSURE: 1549000 -58.0178 11.6842 174.22 11.6835 58.1003 -38.7253 174.219 -38.7253 -316.957 GPRESSURE: 1549000 -46.9961 55.5326 240.372 94.9447 109.06 -44.689 -22.3853 -2.27843 -322.836 PRESSAVG: 1549000 1.71392 48.6044 -5.3786 48.6044 0.208982 4.50587 -5.37858 4.50593 13.3178 GPRESSAVG: 1549000 -0.408383 47.7671 -4.38121 47.7601 2.18283 3.81448 -6.81464 6.03965 13.6917 TIMING: 1549000 CPU: 4838.53, 0.00311787/step Wall: 4838.53, 0.00311787/step, 2.98883 hours remaining, 233.539062 MB of memory in use. ENERGY: 1549000 4030.7935 20566.0227 14519.7640 257.1771 -203144.5031 2416.6238 0.0000 0.0000 51959.8462 -109394.2757 298.6140 -161354.1219 -109041.7287 298.8677 -105.6247 -86.9242 761982.0890 5.0802 5.1554 PRESSURE: 1549200 -297.309 45.8552 41.1264 45.8556 -11.0443 -153.728 41.1265 -153.728 -268.851 GPRESSURE: 1549200 -353.379 -55.06 130.009 -22.4881 45.2466 -81.6529 76.3426 -96.6666 -203.854 PRESSAVG: 1549200 -21.6147 36.4726 33.8591 36.4726 4.79913 9.82662 33.859 9.82669 4.86322 GPRESSAVG: 1549200 -18.7764 37.6547 35.0985 36.3546 3.15851 9.2743 33.7924 8.71932 3.69372 TIMING: 1549200 CPU: 4839.15, 0.00312241/step Wall: 4839.15, 0.00312241/step, 2.993 hours remaining, 233.539062 MB of memory in use. ENERGY: 1549200 4040.1918 20443.4109 14410.0669 250.3557 -203194.0027 2905.9067 0.0000 0.0000 51884.5372 -109259.5335 298.1811 -161144.0706 -108893.4460 298.8103 -192.4013 -170.6620 763466.4860 -3.9841 -3.9747 PRESSURE: 1549400 -107.738 16.955 330.718 16.955 265.82 -84.9361 330.719 -84.9358 -256.498 GPRESSURE: 1549400 15.1038 31.7062 248.848 13.3111 178.518 -155.387 355.544 -79.799 -211.036 PRESSAVG: 1549400 -11.8437 30.0775 -16.4751 30.0774 -28.3587 -41.6708 -16.4751 -41.6707 -37.3325 GPRESSAVG: 1549400 -14.2285 30.1797 -18.5564 30.3376 -27.7021 -40.3628 -14.281 -43.2493 -35.6293 TIMING: 1549400 CPU: 4839.78, 0.00312766/step Wall: 4839.78, 0.00312766/step, 2.99786 hours remaining, 233.539062 MB of memory in use. ENERGY: 1549400 3966.8712 20497.7955 14432.8434 224.7651 -203596.5494 3037.4895 0.0000 0.0000 52018.6585 -109418.1263 298.9519 -161436.7849 -109056.5609 298.8437 -32.8055 -5.8049 764135.4722 -25.8450 -25.8533 PRESSURE: 1549600 30.2384 -92.1399 -47.6384 -92.1396 -163.913 -31.0123 -47.6378 -31.0123 182.1 GPRESSURE: 1549600 125.461 -66.8636 -74.4595 -69.8092 -94.7862 -74.1408 -161.273 -54.9251 91.2157 PRESSAVG: 1549600 4.00409 31.6354 -32.4202 31.6354 7.04664 -38.7979 -32.4201 -38.7979 2.48881 GPRESSAVG: 1549600 4.89225 32.1489 -33.9697 31.6506 8.24334 -40.9238 -32.8296 -38.7622 0.714607 TIMING: 1549600 CPU: 4840.4, 0.00311622/step Wall: 4840.4, 0.00311622/step, 2.98673 hours remaining, 233.539062 MB of memory in use. ENERGY: 1549600 4113.4928 20485.0781 14446.9389 254.1535 -203272.5009 2767.3981 0.0000 0.0000 51724.4830 -109480.9565 297.2613 -161205.4396 -109123.0378 299.2123 16.1420 40.6303 763505.5835 4.5132 4.6167 PRESSURE: 1549800 -243.621 30.8337 14.21 30.8338 -79.7643 19.0172 14.2095 19.0171 43.4949 GPRESSURE: 1549800 -78.5766 14.6109 26.8708 33.8366 -196.184 -8.87394 -37.4498 43.8351 64.172 PRESSAVG: 1549800 18.6925 -18.3144 -45.2647 -18.3144 0.493678 -9.95383 -45.2648 -9.9538 -16.88 GPRESSAVG: 1549800 19.8909 -16.6306 -43.5891 -17.7695 -1.69725 -8.29879 -46.8736 -10.0264 -16.3573 TIMING: 1549800 CPU: 4841.03, 0.00311188/step Wall: 4841.03, 0.00311188/step, 2.98239 hours remaining, 233.539062 MB of memory in use. ENERGY: 1549800 3958.4831 20530.4404 14398.5582 262.9934 -203505.0965 2584.1090 0.0000 0.0000 52170.5206 -109599.9918 299.8247 -161770.5124 -109241.0735 298.5979 -93.2967 -70.1963 761997.5364 0.7687 0.6121 PRESSURE: 1550000 -57.2949 71.2221 16.0614 71.2224 -380.473 -83.7772 16.0613 -83.7769 29.4214 GPRESSURE: 1550000 -160.628 -16.3295 -62.2291 200.536 -193.947 -93.965 -22.3977 -147.499 44.8478 PRESSAVG: 1550000 -11.1161 -9.14438 -28.4137 -9.14438 6.04052 19.6785 -28.4137 19.6786 4.51007 GPRESSAVG: 1550000 -12.1956 -11.4407 -28.6401 -11.268 6.47058 18.1372 -27.647 21.839 4.94681 TIMING: 1550000 CPU: 4841.65, 0.00311296/step Wall: 4841.65, 0.00311296/step, 2.98326 hours remaining, 233.539062 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: 1550000 4059.0833 20346.1360 14431.1177 247.1557 -203290.9717 2682.1343 0.0000 0.0000 52031.9533 -109493.3915 299.0284 -161525.3448 -109125.6270 299.0403 -136.1154 -103.2426 763202.2158 -0.1885 -0.2594 PRESSURE: 1550200 45.1474 -54.7269 115.518 -54.7266 31.0385 67.2189 115.518 67.219 -5.83091 GPRESSURE: 1550200 103.605 11.5138 111.425 16.587 63.5152 -102.893 128.224 147.552 -11.8057 PRESSAVG: 1550200 -37.9342 10.8098 13.6388 10.8098 17.645 -1.93398 13.6387 -1.934 6.58865 GPRESSAVG: 1550200 -38.1602 10.4977 15.7543 12.5631 19.3663 -2.04413 13.6964 -1.15099 5.10777 TIMING: 1550200 CPU: 4842.27, 0.00312006/step Wall: 4842.27, 0.00312006/step, 2.98989 hours remaining, 233.539062 MB of memory in use. ENERGY: 1550200 4052.4661 20311.3845 14480.9335 254.4787 -203343.4225 2798.4176 0.0000 0.0000 51856.6880 -109589.0541 298.0211 -161445.7421 -109230.6967 298.6296 23.4517 51.7716 762557.8916 -4.5668 -4.5620 PRESSURE: 1550400 43.4202 227.521 -244.57 227.52 -58.3293 150.582 -244.571 150.582 -151.664 GPRESSURE: 1550400 8.95668 220.138 -263.11 94.4485 -19.6828 126.908 -255.368 174.922 -46.284 PRESSAVG: 1550400 -18.0776 71.8655 -9.7478 71.8655 48.6145 21.9928 -9.7478 21.9928 5.59261 GPRESSAVG: 1550400 -18.6026 71.118 -11.2809 72.1083 46.5783 23.3275 -9.82884 20.9442 7.37956 TIMING: 1550400 CPU: 4842.9, 0.00311811/step Wall: 4842.9, 0.00311811/step, 2.98784 hours remaining, 233.539062 MB of memory in use. ENERGY: 1550400 3991.8298 20403.2161 14464.9537 244.9419 -203644.4552 3106.1028 0.0000 0.0000 51695.1492 -109738.2619 297.0927 -161433.4111 -109379.6938 297.9842 -55.5244 -19.0034 763337.0273 12.0432 11.7851 PRESSURE: 1550600 166.799 -3.26149 -24.5571 -3.26025 -147.409 -168.21 -24.5568 -168.211 19.4946 GPRESSURE: 1550600 197.383 -18.3021 64.542 7.03007 -95.929 -158.444 46.0726 -72.3023 37.9954 PRESSAVG: 1550600 18.5873 16.9409 -12.3881 16.9408 -66.5721 -27.2284 -12.3881 -27.2285 5.7888 GPRESSAVG: 1550600 19.2219 18.255 -13.1169 16.3804 -66.2884 -28.1703 -11.3833 -28.5411 4.85881 TIMING: 1550600 CPU: 4843.52, 0.00312723/step Wall: 4843.52, 0.00312723/step, 2.9964 hours remaining, 233.539062 MB of memory in use. ENERGY: 1550600 4008.0385 20285.4598 14498.3477 245.9965 -203492.7822 2967.7778 0.0000 0.0000 51806.1968 -109680.9650 297.7309 -161487.1618 -109321.6578 298.0582 12.9616 46.4830 762876.2849 -14.0653 -14.0692 PRESSURE: 1550800 -70.1819 122.82 -87.3119 122.819 -261.056 -111.505 -87.3115 -111.505 -216.787 GPRESSURE: 1550800 -25.9197 103.708 -128.721 63.7093 -165.155 -31.1951 -56.5409 -3.83648 -260.918 PRESSAVG: 1550800 65.4667 28.5053 0.168351 28.5052 -57.3589 -7.0351 0.168389 -7.03507 -20.4028 GPRESSAVG: 1550800 64.0812 28.8156 0.10205 29.1204 -56.7658 -6.59898 -2.08234 -5.40521 -19.2724 TIMING: 1550800 CPU: 4844.14, 0.00311479/step Wall: 4844.14, 0.00311479/step, 2.98432 hours remaining, 233.539062 MB of memory in use. ENERGY: 1550800 3964.4919 20368.3013 14409.6660 245.4949 -203710.1851 3014.1177 0.0000 0.0000 51876.6657 -109831.4476 298.1359 -161708.1133 -109457.2202 298.1713 -182.6751 -150.6642 763096.2287 -4.0983 -3.9857 PRESSURE: 1551000 107.348 98.6513 -166.764 98.6519 246.118 154.966 -166.764 154.967 -121.648 GPRESSURE: 1551000 188.529 128.977 -174.521 -73.4917 259.119 88.3126 -135.215 9.26161 -117.58 PRESSAVG: 1551000 35.394 73.3588 -10.6976 73.3588 -19.0399 -13.5211 -10.6976 -13.521 -4.0449 GPRESSAVG: 1551000 36.9275 71.9943 -11.6678 73.0847 -20.4106 -11.8208 -7.26934 -16.712 -4.18652 TIMING: 1551000 CPU: 4844.77, 0.00312509/step Wall: 4844.77, 0.00312509/step, 2.99401 hours remaining, 233.539062 MB of memory in use. ENERGY: 1551000 3947.0820 20566.8417 14478.7062 245.8494 -203693.9253 3083.3285 0.0000 0.0000 51473.1661 -109898.9514 295.8170 -161372.1175 -109548.0320 297.2024 77.2727 110.0226 762086.8930 4.1031 4.1101 PRESSURE: 1551200 -193.251 -106.991 -137.008 -106.991 74.2736 -127.911 -137.008 -127.911 10.2695 GPRESSURE: 1551200 -137.312 -62.5277 -129.852 -119.873 152.493 -60.0249 -181.107 -17.1853 -24.741 PRESSAVG: 1551200 13.7915 11.6737 -6.36727 11.6736 4.41561 87.2072 -6.36721 87.2072 2.15829 GPRESSAVG: 1551200 13.7784 12.0009 -5.20077 11.4282 4.85221 85.5066 -8.18831 89.1654 1.7353 TIMING: 1551200 CPU: 4845.39, 0.00312491/step Wall: 4845.39, 0.00312491/step, 2.99366 hours remaining, 233.539062 MB of memory in use. ENERGY: 1551200 4000.5884 20361.1809 14485.1397 241.7160 -203533.9204 2754.4655 0.0000 0.0000 51908.9859 -109781.8439 298.3217 -161690.8299 -109416.9828 298.0284 -36.2359 -3.1865 762496.4202 6.7885 6.7886 PRESSURE: 1551400 150.98 52.5818 61.709 52.5818 -297.044 -129.198 61.709 -129.198 194.728 GPRESSURE: 1551400 143.826 130.382 76.0059 -85.9468 -223.756 -117.033 -64.5679 -120.582 223.537 PRESSAVG: 1551400 -5.40074 34.0045 -7.33205 34.0045 -19.2364 12.5621 -7.3321 12.5621 -4.01282 GPRESSAVG: 1551400 -4.9387 33.3383 -6.87587 35.9883 -17.9418 11.848 -7.91393 13.7321 -5.48423 TIMING: 1551400 CPU: 4846.02, 0.00312203/step Wall: 4846.02, 0.00312203/step, 2.99073 hours remaining, 233.539062 MB of memory in use. ENERGY: 1551400 3934.7557 20449.7676 14469.1979 248.0696 -203345.0017 2768.0174 0.0000 0.0000 51730.0293 -109745.1642 297.2932 -161475.1934 -109387.7339 297.7208 16.2214 47.8691 762921.3741 -9.5500 -9.4549 PRESSURE: 1551600 -61.5664 -61.585 -196.349 -61.585 -101.563 272.442 -196.349 272.442 37.0341 GPRESSURE: 1551600 29.7754 37.7385 -97.4062 -71.097 -145.463 292.672 -49.9416 171.758 63.5715 PRESSAVG: 1551600 -10.6063 14.144 -8.52225 14.144 -46.6676 -29.9035 -8.52232 -29.9034 6.01098 GPRESSAVG: 1551600 -10.1038 12.4928 -8.90535 14.2241 -49.556 -29.8249 -8.19656 -31.7934 7.70369 TIMING: 1551600 CPU: 4846.64, 0.00312891/step Wall: 4846.64, 0.00312891/step, 2.99715 hours remaining, 233.539062 MB of memory in use. ENERGY: 1551600 3988.9322 20477.9686 14465.9826 247.4297 -203564.0537 2750.4472 0.0000 0.0000 52008.6888 -109624.6046 298.8946 -161633.2934 -109267.1564 298.4003 -42.0318 -17.3722 763123.1763 -17.0877 -17.3187 PRESSURE: 1551800 260.157 -196.174 -11.4032 -196.174 -88.1724 173.323 -11.4023 173.324 -168.982 GPRESSURE: 1551800 344.58 -215.742 46.9409 -119.831 -73.8909 165.421 -57.0665 -26.8806 -167.219 PRESSAVG: 1551800 65.5419 -42.9241 -17.8747 -42.9241 -21.8164 72.0712 -17.8747 72.0712 -11.8153 GPRESSAVG: 1551800 65.2662 -41.4815 -17.3353 -43.8135 -20.0873 74.1856 -17.6628 71.0563 -12.8832 TIMING: 1551800 CPU: 4847.27, 0.003118/step Wall: 4847.27, 0.003118/step, 2.98652 hours remaining, 233.539062 MB of memory in use. ENERGY: 1551800 3991.4035 20528.1040 14474.8810 265.7119 -203500.9407 2935.4589 0.0000 0.0000 51999.8983 -109305.4829 298.8441 -161305.3812 -108938.1075 298.9795 1.0011 34.4900 761022.9598 10.6367 10.7652 PRESSURE: 1552000 183.376 -24.1721 70.7835 -24.1709 -299.327 -83.4785 70.784 -83.4782 460.648 GPRESSURE: 1552000 220.888 -71.594 122.229 -31.4494 -279.176 -137.838 22.9623 11.8459 482.182 PRESSAVG: 1552000 57.5546 -6.08176 23.2977 -6.08169 -28.4966 22.5708 23.2977 22.5708 6.96453 GPRESSAVG: 1552000 57.9359 -4.62894 24.0377 -6.73742 -28.9033 20.7465 22.718 22.6492 6.67323 TIMING: 1552000 CPU: 4847.89, 0.00309797/step Wall: 4847.89, 0.00309797/step, 2.96717 hours remaining, 233.539062 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: 1552000 3962.7654 20569.8781 14424.0964 242.3088 -203521.5969 2891.0874 0.0000 0.0000 51908.3937 -109523.0672 298.3183 -161431.4608 -109159.2282 299.1640 114.8991 141.2978 762057.4020 12.0075 11.9019 PRESSURE: 1552200 224.53 164.29 -220.238 164.291 60.2702 -23.8978 -220.237 -23.8973 -142.55 GPRESSURE: 1552200 220.657 215.588 -134.284 134.451 75.0295 -39.4964 -249.718 77.2769 -87.5188 PRESSAVG: 1552200 56.9821 4.00028 -37.4127 4.00025 -89.6222 74.0715 -37.4126 74.0716 -14.7494 GPRESSAVG: 1552200 56.7956 2.62319 -38.0397 4.14825 -89.5923 73.8085 -37.9814 76.4876 -14.5049 TIMING: 1552200 CPU: 4848.51, 0.00311057/step Wall: 4848.51, 0.00311057/step, 2.97906 hours remaining, 233.539062 MB of memory in use. ENERGY: 1552200 3961.9212 20486.9057 14477.6321 260.6698 -203493.6502 2800.0983 0.0000 0.0000 52106.9108 -109399.5121 299.4591 -161506.4230 -109039.8992 298.5512 47.4166 69.3893 762138.5803 -15.7965 -15.7672 LDB: ============= START OF LOAD BALANCING ============== 4860.99 LDB: ============== END OF LOAD BALANCING =============== 4860.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4860.99 LDB: ============= START OF LOAD BALANCING ============== 4861.3 LDB: Largest compute 6988 load 0.030016 is 15.4% of average load 0.195123 LDB: Average compute 0.004389 is 2.2% of average load 0.195123 LDB: TIME 4861.31 LOAD: AVG 0.195123 MAX 0.214777 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.051 MB LDB: TIME 4861.31 LOAD: AVG 0.195123 MAX 0.214777 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: TIME 4861.31 LOAD: AVG 0.195123 MAX 0.214777 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: ============== END OF LOAD BALANCING =============== 4861.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4861.31 PRESSURE: 1552400 98.037 196.959 -44.5056 196.96 -457.191 -75.7943 -44.5072 -75.7939 183.608 GPRESSURE: 1552400 68.6508 207.944 -44.7479 201.063 -338.39 -136.656 -149.098 -59.4614 176.517 PRESSAVG: 1552400 13.732 -11.6729 -27.763 -11.6729 -8.84998 23.408 -27.7631 23.408 -9.43892 GPRESSAVG: 1552400 13.8535 -11.4952 -28.2636 -12.336 -8.59923 23.6145 -28.7353 25.219 -10.1089 TIMING: 1552400 CPU: 4849.15, 0.00320037/step Wall: 4849.15, 0.00320037/step, 3.06488 hours remaining, 234.050781 MB of memory in use. ENERGY: 1552400 3924.3685 20492.8186 14455.9443 229.4782 -203273.9673 2723.9824 0.0000 0.0000 52111.9473 -109335.4282 299.4881 -161447.3755 -108960.3863 298.6654 -58.5154 -31.0742 761784.7531 -1.5190 -1.6182 PRESSURE: 1552600 -313.98 -26.6319 -152.515 -26.6316 -162.083 189.107 -152.516 189.107 418.436 GPRESSURE: 1552600 -152.431 -105.288 -226.088 -9.73639 -154.418 210.987 -225.845 215.556 334.634 PRESSAVG: 1552600 5.29089 41.4664 -43.6926 41.4665 -48.8209 -2.70364 -43.6926 -2.70371 15.4731 GPRESSAVG: 1552600 5.27905 41.5445 -43.5511 41.5646 -49.4085 -2.28946 -41.8711 -5.06476 15.8655 TIMING: 1552600 CPU: 4849.77, 0.00311497/step Wall: 4849.77, 0.00311497/step, 2.98293 hours remaining, 234.050781 MB of memory in use. ENERGY: 1552600 4026.1029 20413.8247 14492.5560 264.8283 -203170.6067 2744.9751 0.0000 0.0000 51900.7917 -109327.5280 298.2746 -161228.3198 -108970.5157 298.9682 -19.2089 9.2616 762543.8947 -9.3523 -9.4213 PRESSURE: 1552800 112.018 -56.4399 -18.0551 -56.4399 258.488 91.1698 -18.0552 91.1708 150.557 GPRESSURE: 1552800 77.311 4.64359 -92.4274 -44.5416 404.258 139.292 119.841 -63.1344 131.319 PRESSAVG: 1552800 -11.2791 30.7366 6.92127 30.7365 -9.03894 -39.0212 6.92122 -39.0212 13.8447 GPRESSAVG: 1552800 -10.8802 29.9157 6.78644 31.0898 -7.95729 -39.3273 4.92215 -38.6647 12.6803 TIMING: 1552800 CPU: 4850.4, 0.00311804/step Wall: 4850.4, 0.00311804/step, 2.98569 hours remaining, 234.050781 MB of memory in use. ENERGY: 1552800 3897.9325 20474.9169 14476.4984 243.0367 -203136.2502 2556.6687 0.0000 0.0000 52273.9423 -109213.2548 300.4191 -161487.1971 -108843.6971 299.0813 173.6877 204.2958 761726.4310 -2.1578 -2.0524 PRESSURE: 1553000 320.181 -88.0526 194.473 -88.0516 73.8952 -155.441 194.474 -155.441 107.37 GPRESSURE: 1553000 268.613 -38.3571 287.361 -105.091 149.405 -267.296 40.9539 -37.008 162.649 PRESSAVG: 1553000 0.799378 19.318 30.2961 19.318 -0.23134 13.5767 30.296 13.5768 1.22989 GPRESSAVG: 1553000 -0.266517 21.247 30.3548 17.3978 -0.0318465 12.3488 31.7488 12.798 1.8313 TIMING: 1553000 CPU: 4851.02, 0.00312833/step Wall: 4851.02, 0.00312833/step, 2.99538 hours remaining, 234.050781 MB of memory in use. ENERGY: 1553000 3933.1562 20399.6036 14476.0403 250.2866 -203035.7693 2772.4011 0.0000 0.0000 52089.2331 -109115.0483 299.3575 -161204.2814 -108755.1801 299.2085 167.1487 193.5558 762046.8151 0.5993 0.5110 PRESSURE: 1553200 -203.261 117.489 36.4023 117.489 52.8739 -229.308 36.4023 -229.309 155.098 GPRESSURE: 1553200 -233.157 78.888 23.4362 139.607 140.127 -258.028 -5.67567 -118.838 182.154 PRESSAVG: 1553200 -35.5357 3.59352 23.1778 3.59361 28.9354 14.3956 23.1778 14.3957 14.7716 GPRESSAVG: 1553200 -35.8759 0.30926 22.6773 7.37701 28.8593 15.0773 23.5147 14.4414 14.8984 TIMING: 1553200 CPU: 4851.65, 0.00313313/step Wall: 4851.65, 0.00313313/step, 2.9998 hours remaining, 234.050781 MB of memory in use. ENERGY: 1553200 4025.8050 20430.3633 14455.1208 233.8434 -203255.6145 2758.7379 0.0000 0.0000 52186.3866 -109165.3574 299.9159 -161351.7440 -108808.8596 299.1313 1.5703 29.7083 760685.1722 2.7237 2.6273 PRESSURE: 1553400 87.8082 -43.4138 250.795 -43.4132 175.894 72.2974 250.795 72.2975 114.846 GPRESSURE: 1553400 191.318 72.969 184.92 6.68522 133.303 121.293 259.325 60.204 128.627 PRESSAVG: 1553400 -50.6778 16.6782 23.9806 16.6783 38.1119 14.8725 23.9806 14.8725 -28.9998 GPRESSAVG: 1553400 -49.3722 18.0753 23.2076 13.0993 36.0229 14.3697 24.0519 15.8985 -28.1832 TIMING: 1553400 CPU: 4852.27, 0.00312026/step Wall: 4852.27, 0.00312026/step, 2.98731 hours remaining, 234.050781 MB of memory in use. ENERGY: 1553400 3965.4211 20747.5547 14451.1472 244.1821 -202642.0058 2459.5957 0.0000 0.0000 51839.9479 -108934.1571 297.9249 -160774.1050 -108579.3143 299.2473 126.1827 151.0827 762389.5496 -13.8552 -13.8442 PRESSURE: 1553600 -277.561 127.173 174.306 127.174 -109.263 42.0182 174.306 42.018 -507.229 GPRESSURE: 1553600 -194.548 59.8768 70.9707 74.0714 -99.9907 30.4174 351.793 43.5498 -491.289 PRESSAVG: 1553600 -60.5349 4.61501 35.794 4.61498 57.5486 -52.7733 35.794 -52.7733 -0.349129 GPRESSAVG: 1553600 -62.0487 5.29372 37.3363 4.34474 59.703 -51.8693 38.5768 -55.328 -0.692917 TIMING: 1553600 CPU: 4852.9, 0.00311942/step Wall: 4852.9, 0.00311942/step, 2.98632 hours remaining, 234.050781 MB of memory in use. ENERGY: 1553600 4045.5146 20478.4421 14466.9996 241.5416 -202597.7901 2393.2786 0.0000 0.0000 51984.4720 -108987.5417 298.7555 -160972.0137 -108626.8921 299.5748 -298.0177 -261.9426 764150.2159 -1.1118 -1.0129 PRESSURE: 1553800 312.475 -6.30498 -124.968 -6.30459 -230.627 43.579 -124.968 43.5787 35.9049 GPRESSURE: 1553800 319.588 -2.94006 -248.63 79.5774 -176.46 -48.9104 -71.3453 37.8052 58.9731 PRESSAVG: 1553800 -36.6622 31.7527 -38.886 31.7527 52.0342 -17.4403 -38.886 -17.4404 -8.34754 GPRESSAVG: 1553800 -35.787 32.2275 -39.483 33.8684 50.9021 -18.4824 -41.313 -16.076 -8.13381 TIMING: 1553800 CPU: 4853.52, 0.00312492/step Wall: 4853.52, 0.00312492/step, 2.99141 hours remaining, 234.050781 MB of memory in use. ENERGY: 1553800 4012.2373 20557.8918 14468.0129 253.7296 -202795.5400 2531.8325 0.0000 0.0000 52054.8040 -108917.0319 299.1597 -160971.8358 -108557.1432 299.4932 39.2510 67.3670 762782.8133 2.3415 2.3271 PRESSURE: 1554000 -26.4445 11.608 -111.603 11.6067 -251.939 -208.216 -111.603 -208.216 -82.6313 GPRESSURE: 1554000 -46.845 -78.2805 -13.3834 65.0795 -109.495 -180.129 -47.4435 -94.7109 -92.6009 PRESSAVG: 1554000 -18.4808 30.9709 -15.2084 30.9709 -7.60384 -17.8071 -15.2085 -17.8071 3.40838 GPRESSAVG: 1554000 -19.0046 30.0788 -14.4265 31.8056 -7.27319 -16.3846 -17.7063 -16.2808 4.09925 TIMING: 1554000 CPU: 4854.14, 0.00311119/step Wall: 4854.14, 0.00311119/step, 2.9781 hours remaining, 234.050781 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: 1554000 4076.8867 20524.5595 14436.7969 251.8658 -202749.5368 2514.3735 0.0000 0.0000 51919.9006 -109025.1538 298.3844 -160945.0544 -108659.6211 299.6279 -120.3383 -82.9802 763516.0346 -7.5587 -7.3929 PRESSURE: 1554200 -141.427 137.642 -194.33 137.642 121.282 -36.6499 -194.33 -36.651 300.136 GPRESSURE: 1554200 -158.574 52.2544 -136.025 112.523 216.347 -4.06752 -143.856 -107.935 289.362 PRESSAVG: 1554200 24.4663 -15.3924 21.443 -15.3924 -13.9231 42.2506 21.443 42.2505 30.1454 GPRESSAVG: 1554200 24.8198 -16.6763 20.367 -17.1452 -14.8285 39.8747 24.6947 41.1237 30.678 TIMING: 1554200 CPU: 4854.77, 0.00311078/step Wall: 4854.77, 0.00311078/step, 2.97754 hours remaining, 234.050781 MB of memory in use. ENERGY: 1554200 3910.0118 20597.5185 14395.3331 255.7271 -203110.4392 2918.1166 0.0000 0.0000 52203.8932 -108829.8388 300.0165 -161033.7320 -108471.2014 299.2624 93.3302 115.7121 764685.0450 13.5629 13.5565 PRESSURE: 1554400 -307.883 154.58 64.0039 154.58 -116.815 -184.551 64.0031 -184.551 116.914 GPRESSURE: 1554400 -237.722 -17.2145 65.3524 114.827 -139.909 -137.797 135.916 -171.443 148.22 PRESSAVG: 1554400 34.7835 39.9653 0.284104 39.9653 -50.0834 4.87442 0.284082 4.8744 -13.5908 GPRESSAVG: 1554400 35.1432 39.2414 1.75926 40.925 -48.4737 7.73689 1.68855 4.21478 -15.8093 TIMING: 1554400 CPU: 4855.39, 0.00312382/step Wall: 4855.39, 0.00312382/step, 2.98985 hours remaining, 234.050781 MB of memory in use. ENERGY: 1554400 3968.8061 20581.4525 14462.4044 235.6526 -202848.0056 2302.2994 0.0000 0.0000 52414.7190 -108882.6717 301.2281 -161297.3907 -108516.7335 299.6088 -102.5944 -76.4705 764509.9403 -9.6302 -9.7133 PRESSURE: 1554600 160.27 -17.5873 -70.0226 -17.5872 229.273 -98.8797 -70.0232 -98.8792 41.9789 GPRESSURE: 1554600 153.537 -124.617 7.0807 87.7324 244.632 -71.5416 -50.5157 -220.08 114.71 PRESSAVG: 1554600 5.76033 66.9821 31.6209 66.9821 12.4933 -46.0865 31.6209 -46.0865 8.73546 GPRESSAVG: 1554600 3.86335 69.5022 32.2499 66.3158 12.562 -45.623 28.2167 -46.8456 10.6783 TIMING: 1554600 CPU: 4856.01, 0.00311824/step Wall: 4856.01, 0.00311824/step, 2.98433 hours remaining, 234.050781 MB of memory in use. ENERGY: 1554600 3959.8701 20408.1965 14416.4001 241.5147 -202929.8199 2836.9464 0.0000 0.0000 52113.4738 -108953.4182 299.4969 -161066.8921 -108583.1025 299.9443 143.8407 170.9599 763713.7404 8.9964 9.0346 PRESSURE: 1554800 -288.821 94.4881 261.29 94.4883 -215.764 -27.5169 261.29 -27.5167 375.309 GPRESSURE: 1554800 -226.039 77.6743 291.919 75.6882 -206.605 -79.0873 273.278 54.3869 390.581 PRESSAVG: 1554800 27.1082 36.7858 -9.6541 36.7858 20.9886 24.6994 -9.65412 24.6993 -5.42885 GPRESSAVG: 1554800 28.2847 33.8828 -10.0681 38.5994 21.3111 22.4108 -8.40889 26.4885 -7.4983 TIMING: 1554800 CPU: 4856.64, 0.00310885/step Wall: 4856.64, 0.00310885/step, 2.97517 hours remaining, 234.050781 MB of memory in use. ENERGY: 1554800 4016.9449 20621.8438 14487.0513 240.8726 -202785.0735 2551.3622 0.0000 0.0000 52103.9828 -108763.0159 299.4423 -160866.9987 -108412.4637 299.4720 -43.0919 -14.0213 763753.2758 14.2226 14.0325 PRESSURE: 1555000 -49.8136 24.0971 -59.0696 24.0967 149.655 151.565 -59.0693 151.565 -178.119 GPRESSURE: 1555000 -68.0874 -108.375 -143.728 88.0881 189.326 129.133 -76.8266 111.144 -104.738 PRESSAVG: 1555000 -18.6883 -4.69174 0.752927 -4.69168 1.51514 -1.1314 0.752998 -1.13137 9.89004 GPRESSAVG: 1555000 -18.6286 -1.75543 0.513923 -8.50626 1.55512 -0.57216 2.97274 -1.49132 10.4066 TIMING: 1555000 CPU: 4857.26, 0.0031114/step Wall: 4857.26, 0.0031114/step, 2.97743 hours remaining, 234.050781 MB of memory in use. ENERGY: 1555000 4064.2497 20448.9983 14533.1086 266.9236 -202871.0305 2641.6660 0.0000 0.0000 52205.5894 -108710.4948 300.0262 -160916.0843 -108341.8117 299.8979 -26.0924 5.5003 764143.2999 -2.4277 -2.2223 PRESSURE: 1555200 -206.8 -29.0966 -160.384 -29.0964 83.5829 -31.338 -160.385 -31.3374 101.876 GPRESSURE: 1555200 -129.033 -62.5841 -239.925 29.9955 57.4345 -86.4543 -50.6469 4.76111 109.657 PRESSAVG: 1555200 -41.1678 52.2309 10.2897 52.2309 34.1294 30.6245 10.2897 30.6245 2.73272 GPRESSAVG: 1555200 -41.5778 52.7643 10.6204 55.3249 33.8738 30.8347 9.34223 30.9727 2.9971 TIMING: 1555200 CPU: 4857.88, 0.00310516/step Wall: 4857.88, 0.00310516/step, 2.97129 hours remaining, 234.050781 MB of memory in use. ENERGY: 1555200 4103.3553 20567.2782 14561.4645 236.2620 -202816.3990 2584.6803 0.0000 0.0000 52336.0370 -108427.3216 300.7759 -160763.3586 -108074.0109 300.4156 -7.1136 12.6860 763859.2806 -1.4352 -1.5690 PRESSURE: 1555400 -253.151 -149.908 167.286 -149.908 -44.4998 203.276 167.285 203.275 162.901 GPRESSURE: 1555400 -209.075 -69.6965 200.343 -155.256 -33.211 221.129 215.985 214.755 215.651 PRESSAVG: 1555400 7.28947 50.8202 37.3331 50.8201 14.1312 -24.4125 37.3331 -24.4125 -17.871 GPRESSAVG: 1555400 8.76903 49.3217 39.0606 50.4247 13.2866 -23.1516 36.3986 -24.8346 -18.553 TIMING: 1555400 CPU: 4858.5, 0.00311799/step Wall: 4858.5, 0.00311799/step, 2.9834 hours remaining, 234.050781 MB of memory in use. ENERGY: 1555400 3996.1570 20539.3333 14456.2254 252.6539 -203003.7560 2837.6209 0.0000 0.0000 52148.8238 -108772.9417 299.7000 -160921.7656 -108415.3412 300.2699 -44.9165 -8.8784 762699.4368 1.1832 1.1675 PRESSURE: 1555600 -191.788 -101.125 -94.3556 -101.124 -215.659 62.7959 -94.3553 62.7966 31.8496 GPRESSURE: 1555600 -263.121 -156.998 -120.54 -95.3909 -68.0119 92.0886 46.4031 -62.9802 30.355 PRESSAVG: 1555600 -29.2607 33.9046 -17.8328 33.9047 -10.7458 50.3985 -17.8328 50.3985 18.6813 GPRESSAVG: 1555600 -31.3066 33.1633 -20.7581 33.0461 -8.26097 49.588 -16.6 50.3383 18.561 TIMING: 1555600 CPU: 4859.12, 0.00311119/step Wall: 4859.12, 0.00311119/step, 2.97671 hours remaining, 234.050781 MB of memory in use. ENERGY: 1555600 4045.3652 20414.3982 14501.4629 239.9336 -202446.2819 2237.0422 0.0000 0.0000 52108.5715 -108899.5084 299.4687 -161008.0799 -108530.1022 299.9517 -125.1990 -100.2593 763352.4048 -7.1084 -7.0022 PRESSURE: 1555800 -282.636 144.74 58.9491 144.741 -56.1497 -238.754 58.9486 -238.753 -247.942 GPRESSURE: 1555800 -210.281 273.735 41.7166 59.7032 -5.35392 -196.489 45.46 -219.956 -287.485 PRESSAVG: 1555800 -107.647 -2.64636 -32.4907 -2.64629 52.3715 37.955 -32.4908 37.955 -1.21258 GPRESSAVG: 1555800 -106.772 -2.54608 -30.9082 -2.95073 50.2969 38.2495 -32.335 37.5412 -0.387014 TIMING: 1555800 CPU: 4859.75, 0.00311643/step Wall: 4859.75, 0.00311643/step, 2.98156 hours remaining, 234.050781 MB of memory in use. ENERGY: 1555800 3971.3215 20523.9828 14457.4940 242.4915 -203072.5449 2806.0939 0.0000 0.0000 52284.4292 -108786.7320 300.4793 -161071.1612 -108435.2118 299.8702 -195.5759 -167.7066 764189.1056 -18.8294 -18.9540 PRESSURE: 1556000 67.054 -87.2079 -36.9577 -87.2079 -227.117 -151.996 -36.9573 -151.996 -168.366 GPRESSURE: 1556000 -104.295 -95.7516 10.4404 -50.4478 -61.0228 -92.3666 -70.9286 -173.92 -85.1986 PRESSAVG: 1556000 -85.0867 -4.92244 -6.13366 -4.92245 45.3655 -45.8294 -6.13362 -45.8294 -12.644 GPRESSAVG: 1556000 -85.8101 -4.27459 -7.51774 -3.46245 45.1436 -45.8959 -6.29436 -45.8897 -11.697 TIMING: 1556000 CPU: 4860.37, 0.0031236/step Wall: 4860.37, 0.0031236/step, 2.98825 hours remaining, 234.050781 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: 1556000 3983.9173 20569.9786 14478.4573 265.0192 -203079.2900 2651.8395 0.0000 0.0000 52085.9042 -109044.1739 299.3384 -161130.0781 -108678.7588 299.6353 -109.4763 -83.5054 763594.5874 -17.4551 -17.4545 PRESSURE: 1556200 41.3706 12.6924 -190.795 12.6918 207.324 187.25 -190.795 187.25 -28.2482 GPRESSURE: 1556200 46.7449 139.782 -212.665 -74.6626 232.094 184.184 -154.156 125.155 18.0025 PRESSAVG: 1556200 -55.1415 73.3045 2.40373 73.3045 34.0124 -17.1025 2.40372 -17.1024 4.07514 GPRESSAVG: 1556200 -54.218 73.1274 3.70436 72.9487 33.4953 -14.7368 1.90686 -19.2905 3.34945 TIMING: 1556200 CPU: 4861, 0.0031245/step Wall: 4861, 0.0031245/step, 2.98893 hours remaining, 234.050781 MB of memory in use. ENERGY: 1556200 3931.4138 20486.8585 14449.5923 258.8834 -203262.7932 2932.9820 0.0000 0.0000 52080.4028 -109122.6604 299.3068 -161203.0632 -108778.1642 299.7035 73.4823 98.9473 763784.7491 -5.6846 -5.7911 LDB: ============= START OF LOAD BALANCING ============== 4873.48 LDB: ============== END OF LOAD BALANCING =============== 4873.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4873.48 LDB: ============= START OF LOAD BALANCING ============== 4873.79 LDB: Largest compute 7052 load 0.028392 is 14.6% of average load 0.195058 LDB: Average compute 0.004391 is 2.3% of average load 0.195058 LDB: TIME 4873.79 LOAD: AVG 0.195058 MAX 0.215738 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.824 MB LDB: TIME 4873.79 LOAD: AVG 0.195058 MAX 0.215738 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.027 MB LDB: TIME 4873.79 LOAD: AVG 0.195058 MAX 0.215738 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.027 MB LDB: ============== END OF LOAD BALANCING =============== 4873.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4873.8 PRESSURE: 1556400 146.197 -0.580326 -189.107 -0.579843 -81.9995 -76.053 -189.106 -76.0525 -63.312 GPRESSURE: 1556400 139.932 -68.9836 -271.499 1.69824 -28.358 10.424 -90.0432 -101.561 -22.8476 PRESSAVG: 1556400 5.52345 37.1114 38.351 37.1114 19.6041 41.8228 38.351 41.8227 -13.6642 GPRESSAVG: 1556400 5.4795 37.2691 37.9512 37.4379 20.8696 38.1285 38.9968 44.687 -14.7559 TIMING: 1556400 CPU: 4861.63, 0.00317828/step Wall: 4861.63, 0.00317828/step, 3.0402 hours remaining, 234.253906 MB of memory in use. ENERGY: 1556400 3988.0016 20567.8115 14543.5413 259.6666 -203412.5851 2946.2150 0.0000 0.0000 52155.6711 -108951.6780 299.7394 -161107.3491 -108585.2448 299.5528 0.2951 29.5754 762845.9958 3.8211 3.8644 PRESSURE: 1556600 180.395 145.918 83.2164 145.919 393.263 -204.474 83.2162 -204.475 426.605 GPRESSURE: 1556600 242.431 70.2202 47.2693 66.7559 470.784 -191.198 -102.209 -167.048 390.658 PRESSAVG: 1556600 29.2721 33.3528 -29.8879 33.3528 7.68025 -9.31274 -29.8879 -9.31276 1.44499 GPRESSAVG: 1556600 29.2847 33.7051 -28.7856 33.4296 6.7086 -7.28325 -33.1551 -9.9844 2.51843 TIMING: 1556600 CPU: 4862.26, 0.00311138/step Wall: 4862.26, 0.00311138/step, 2.97603 hours remaining, 234.253906 MB of memory in use. ENERGY: 1556600 3953.1823 20526.6894 14450.8439 248.9060 -203273.7688 2919.5584 0.0000 0.0000 52280.6389 -108893.9499 300.4576 -161174.5888 -108525.9034 299.9987 333.4207 367.9576 764300.2469 12.7991 12.8373 PRESSURE: 1556800 288.698 -90.735 22.8795 -90.7344 -151.422 226.326 22.8803 226.326 252.665 GPRESSURE: 1556800 350.925 -36.6159 69.6372 5.32247 -104.501 321.802 -4.42657 148.126 205.444 PRESSAVG: 1556800 65.4213 40.9742 -1.48838 40.9742 -40.8655 46.9839 -1.48839 46.9839 10.9775 GPRESSAVG: 1556800 65.519 42.9402 -1.93146 39.8566 -39.5351 45.5831 1.2781 44.6686 9.77909 TIMING: 1556800 CPU: 4862.88, 0.00312293/step Wall: 4862.88, 0.00312293/step, 2.98691 hours remaining, 234.253906 MB of memory in use. ENERGY: 1556800 4052.8636 20427.3411 14427.0932 249.5493 -203220.0119 3066.4691 0.0000 0.0000 52026.4211 -108970.2745 298.9966 -160996.6956 -108614.4673 299.6012 129.9804 150.6226 763455.2461 11.8444 11.9210 PRESSURE: 1557000 -370.623 21.8273 65.9896 21.8272 -148.587 -45.7328 65.9892 -45.733 -75.3827 GPRESSURE: 1557000 -254.084 31.9467 83.42 -7.69118 -170.415 -34.4192 -7.22716 -70.0297 -91.8317 PRESSAVG: 1557000 -14.377 -5.33679 -0.00819767 -5.33669 3.82509 29.1649 -0.00814971 29.1649 24.8022 GPRESSAVG: 1557000 -13.6659 -6.28597 0.55509 -5.01088 1.96772 29.4016 -1.96887 30.4813 26.3129 TIMING: 1557000 CPU: 4863.5, 0.00312261/step Wall: 4863.5, 0.00312261/step, 2.98643 hours remaining, 234.253906 MB of memory in use. ENERGY: 1557000 4014.3237 20521.3518 14365.3620 252.9558 -203021.3349 2842.9828 0.0000 0.0000 52020.3962 -109003.9626 298.9619 -161024.3588 -108646.6231 299.4038 -198.1974 -172.1103 764587.9364 4.7501 4.8716 PRESSURE: 1557200 71.4288 -137.71 -23.4526 -137.71 -62.757 257.828 -23.4522 257.828 204.418 GPRESSURE: 1557200 41.5912 -44.2179 53.7264 -102.505 43.1121 258.301 -49.0034 244.18 208.468 PRESSAVG: 1557200 -63.2022 10.0277 34.1463 10.0277 74.6609 15.9317 34.1463 15.9316 -18.6196 GPRESSAVG: 1557200 -63.3764 12.6511 33.1856 9.30489 75.0994 15.4331 34.658 17.2137 -19.2683 TIMING: 1557200 CPU: 4864.13, 0.00312058/step Wall: 4864.13, 0.00312058/step, 2.98431 hours remaining, 234.253906 MB of memory in use. ENERGY: 1557200 4044.2448 20618.6770 14490.2543 238.8674 -203635.1536 3036.3001 0.0000 0.0000 52024.7361 -109182.0740 298.9869 -161206.8101 -108827.0161 299.7254 71.0298 97.7238 761248.2381 -2.3870 -2.5151 PRESSURE: 1557400 -47.6747 -93.9592 199.345 -93.9591 -162.912 -142.706 199.345 -142.705 256.617 GPRESSURE: 1557400 -57.1303 -72.3351 65.5645 3.35048 -138.55 -115.798 192.114 -85.4564 332.972 PRESSAVG: 1557400 -23.9654 8.10192 -18.302 8.10193 42.0258 7.57327 -18.3019 7.57331 16.1961 GPRESSAVG: 1557400 -25.478 5.78613 -18.3245 7.65281 42.8483 6.39453 -17.4765 8.36893 16.6525 TIMING: 1557400 CPU: 4864.75, 0.00312667/step Wall: 4864.75, 0.00312667/step, 2.98997 hours remaining, 234.253906 MB of memory in use. ENERGY: 1557400 4066.3799 20376.2301 14491.6500 249.2103 -203939.0684 3210.9587 0.0000 0.0000 52332.8692 -109211.7703 300.7577 -161544.6394 -108840.6214 299.1808 15.3437 45.7641 762096.1621 11.4188 11.3410 PRESSURE: 1557600 132.099 -67.8469 -245.142 -67.8468 166.401 -30.4918 -245.141 -30.4918 319.659 GPRESSURE: 1557600 133.079 -116.733 -280.208 -40.7648 195.542 -16.7387 -111.433 -83.9263 363.948 PRESSAVG: 1557600 -27.5325 9.31962 -54.7943 9.31965 28.5626 10.4048 -54.7943 10.4047 9.46527 GPRESSAVG: 1557600 -27.6886 9.93612 -54.3954 11.1231 28.6861 10.7778 -54.7906 11.5486 9.37789 TIMING: 1557600 CPU: 4865.38, 0.00313016/step Wall: 4865.38, 0.00313016/step, 2.99313 hours remaining, 234.253906 MB of memory in use. ENERGY: 1557600 3989.2303 20504.7115 14431.5581 249.8606 -203247.9438 2792.7289 0.0000 0.0000 52072.3367 -109207.5177 299.2604 -161279.8545 -108845.7730 299.0933 206.0531 230.8565 761731.1208 3.4984 3.4585 PRESSURE: 1557800 -194.96 167.721 61.1011 167.72 -185.814 -104.474 61.1009 -104.474 215.805 GPRESSURE: 1557800 -86.7463 199.279 31.3069 62.106 -175.909 41.8283 74.4687 -287.83 188.769 PRESSAVG: 1557800 60.2808 25.2932 -26.9645 25.2933 -69.3468 -10.3966 -26.9646 -10.3966 9.68958 GPRESSAVG: 1557800 60.7216 25.5027 -26.6049 22.0511 -70.1415 -8.12409 -29.2041 -13.4027 9.61498 TIMING: 1557800 CPU: 4866.01, 0.00313326/step Wall: 4866.01, 0.00313326/step, 2.99592 hours remaining, 234.253906 MB of memory in use. ENERGY: 1557800 3996.8697 20387.9382 14437.1555 254.9702 -203247.4049 2780.2167 0.0000 0.0000 52283.2928 -109106.9617 300.4728 -161390.2545 -108736.9824 299.0252 -54.9895 -24.6288 762041.0159 0.2079 0.0650 PRESSURE: 1558000 -227.838 71.1638 -12.2637 71.1635 -115.22 -11.0266 -12.2632 -11.0262 -35.3861 GPRESSURE: 1558000 -246.852 -14.966 -110.685 133.206 -33.0181 -92.6587 52.1885 92.9256 -1.24416 PRESSAVG: 1558000 3.28766 -30.0654 -53.941 -30.0654 -7.30345 -5.25327 -53.941 -5.25333 -16.6631 GPRESSAVG: 1558000 3.23193 -30.5388 -55.2541 -28.5999 -7.36229 -6.89792 -53.321 -4.57279 -15.7955 TIMING: 1558000 CPU: 4866.63, 0.00312098/step Wall: 4866.63, 0.00312098/step, 2.984 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1558000 4019.8934 20373.5865 14421.4290 239.1594 -203019.5448 2645.9844 0.0000 0.0000 52101.4823 -109218.0098 299.4279 -161319.4921 -108845.4525 299.2624 -126.1479 -93.7047 762450.2859 -6.8930 -6.6419 PRESSURE: 1558200 240.233 -161.394 -62.7877 -161.393 -107.653 -111.523 -62.7881 -111.523 10.0091 GPRESSURE: 1558200 225.931 -211.358 -140.71 -287.52 -80.2139 -146.635 57.047 -25.3941 71.9498 PRESSAVG: 1558200 50.0284 -40.6909 -18.6876 -40.6909 -9.04515 6.05137 -18.6876 6.05139 19.1228 GPRESSAVG: 1558200 50.3068 -41.6072 -19.3763 -39.9636 -9.23323 7.30788 -15.5568 6.22187 18.2445 TIMING: 1558200 CPU: 4867.25, 0.00310822/step Wall: 4867.25, 0.00310822/step, 2.97163 hours remaining, 234.253906 MB of memory in use. ENERGY: 1558200 3949.8725 20361.4806 14469.1825 244.2423 -203166.3913 2861.4823 0.0000 0.0000 52142.4912 -109137.6398 299.6636 -161280.1311 -108787.1551 298.7483 47.5297 72.5557 762759.3610 20.0354 19.7727 PRESSURE: 1558400 -386.75 -84.2584 16.63 -84.2582 110.065 -88.9119 16.6296 -88.9112 -164.613 GPRESSURE: 1558400 -287.026 37.0738 22.937 25.9933 101.617 -93.9406 -163.071 -184.086 -164.471 PRESSAVG: 1558400 -52.2916 -42.479 -46.736 -42.479 10.8383 -1.43571 -46.7359 -1.43569 -2.81257 GPRESSAVG: 1558400 -52.5283 -41.5859 -45.4567 -42.525 11.1189 -2.7393 -48.4835 -0.516891 -3.08456 TIMING: 1558400 CPU: 4867.88, 0.00312816/step Wall: 4867.88, 0.00312816/step, 2.99052 hours remaining, 234.253906 MB of memory in use. ENERGY: 1558400 3973.6979 20540.4425 14454.6087 239.1036 -202686.4665 2566.6240 0.0000 0.0000 51943.0347 -108968.9550 298.5173 -160911.9897 -108612.6718 299.1491 -147.0995 -116.6270 763051.3627 -14.7553 -14.8313 PRESSURE: 1558600 -231.546 -13.5624 -73.2101 -13.5619 -184.28 -229.974 -73.2111 -229.974 -104.977 GPRESSURE: 1558600 -224.999 -38.4204 -22.9063 4.52101 -115.606 -215.12 23.7582 -261.857 -105.703 PRESSAVG: 1558600 -21.2206 -5.05258 -52.5659 -5.05264 -20.7537 -18.029 -52.566 -18.029 -0.447324 GPRESSAVG: 1558600 -21.6921 -4.99255 -52.5828 -5.93612 -21.2362 -17.7532 -51.4253 -17.8374 0.0335335 TIMING: 1558600 CPU: 4868.5, 0.00311756/step Wall: 4868.5, 0.00311756/step, 2.98021 hours remaining, 234.253906 MB of memory in use. ENERGY: 1558600 4018.1780 20361.3633 14399.5587 228.9080 -202687.1371 2463.8233 0.0000 0.0000 52262.1436 -108953.1621 300.3513 -161215.3058 -108581.7921 299.3705 -173.6012 -148.7693 764501.8297 -14.1406 -14.2982 PRESSURE: 1558800 -18.3737 -36.4061 77.8681 -36.4069 -44.7517 260.443 77.8683 260.444 -259.438 GPRESSURE: 1558800 -6.3624 -6.16177 46.1453 -123.142 -55.9769 165.222 117.487 253.362 -186.293 PRESSAVG: 1558800 -12.158 9.06331 -77.6793 9.06332 -33.9159 5.65257 -77.6793 5.65256 -2.86405 GPRESSAVG: 1558800 -11.1067 7.28263 -78.0176 9.72212 -34.5943 5.26132 -77.4206 5.48925 -3.12383 TIMING: 1558800 CPU: 4869.13, 0.00312133/step Wall: 4869.13, 0.00312133/step, 2.98365 hours remaining, 234.253906 MB of memory in use. ENERGY: 1558800 3944.8351 20547.1764 14384.5110 278.4544 -202663.8167 2419.4716 0.0000 0.0000 52264.7868 -108824.5812 300.3664 -161089.3681 -108459.5404 299.6801 -107.5213 -82.8773 762817.2714 -16.3127 -16.2749 PRESSURE: 1559000 -96.8849 -62.6516 -87.1582 -62.6512 13.3491 134.031 -87.1582 134.031 51.5488 GPRESSURE: 1559000 -106.803 -78.5045 -189.393 -125.475 89.9386 206.555 -123.894 81.3454 68.8946 PRESSAVG: 1559000 26.1541 -26.5129 18.9769 -26.5129 -10.7618 32.8914 18.9768 32.8915 16.9933 GPRESSAVG: 1559000 24.7186 -25.3932 20.3678 -27.8965 -10.1023 33.1425 16.7808 32.696 17.7425 TIMING: 1559000 CPU: 4869.75, 0.00312202/step Wall: 4869.75, 0.00312202/step, 2.98414 hours remaining, 234.253906 MB of memory in use. ENERGY: 1559000 3992.9332 20446.3121 14469.8913 242.1277 -202358.8481 2480.8426 0.0000 0.0000 52134.7940 -108591.9473 299.6194 -160726.7412 -108230.2126 299.9231 -10.6624 17.3434 763412.5354 10.7952 10.7863 PRESSURE: 1559200 -4.89702 -49.8029 -92.8816 -49.8026 59.6612 205.437 -92.8806 205.438 -175.554 GPRESSURE: 1559200 -6.57408 -46.4669 -67.9032 45.6009 85.3813 166.653 -139.644 258.733 -126.449 PRESSAVG: 1559200 55.2633 -5.03327 -6.25587 -5.03322 -44.987 20.6942 -6.25591 20.6943 9.19891 GPRESSAVG: 1559200 56.0871 -5.36737 -7.86263 -4.35874 -46.1204 20.588 -6.80309 20.2188 9.7416 TIMING: 1559200 CPU: 4870.38, 0.00312412/step Wall: 4870.38, 0.00312412/step, 2.98596 hours remaining, 234.253906 MB of memory in use. ENERGY: 1559200 3983.8072 20714.4537 14432.6085 260.6152 -202608.9482 2572.4578 0.0000 0.0000 51948.8151 -108696.1908 298.5506 -160645.0058 -108350.1277 300.5597 -40.2634 -15.8807 762351.0938 6.4917 6.5694 PRESSURE: 1559400 260.493 -214.116 -246.479 -214.116 234.675 -90.6527 -246.478 -90.6526 -153.18 GPRESSURE: 1559400 279.049 -172.952 -191.937 -231.882 176.361 -27.0246 -208.939 -26.1957 -33.6969 PRESSAVG: 1559400 69.5547 -40.8034 -13.758 -40.8033 -56.592 -14.0863 -13.758 -14.0863 -1.12827 GPRESSAVG: 1559400 69.3211 -41.2087 -13.5731 -41.5195 -55.3323 -13.543 -12.3094 -14.1964 -1.22497 TIMING: 1559400 CPU: 4871, 0.00312222/step Wall: 4871, 0.00312223/step, 2.98398 hours remaining, 234.253906 MB of memory in use. ENERGY: 1559400 3959.3112 20636.2381 14349.5322 243.5146 -202912.7171 2671.7342 0.0000 0.0000 52194.5850 -108857.8018 299.9630 -161052.3868 -108493.8802 300.3062 113.9957 140.5711 762848.9306 3.9448 4.2546 PRESSURE: 1559600 -72.5034 -170.095 147.854 -170.095 -37.0502 -53.0196 147.854 -53.0214 -216.948 GPRESSURE: 1559600 -59.3369 -100.192 102.265 -46.754 15.9412 32.3769 137.537 4.64054 -205.254 PRESSAVG: 1559600 0.507169 -22.2295 -9.67216 -22.2294 -26.2947 22.0213 -9.67216 22.0213 11.5569 GPRESSAVG: 1559600 1.57282 -22.7292 -10.075 -21.4132 -26.2992 22.462 -8.39228 21.6852 9.84398 TIMING: 1559600 CPU: 4871.62, 0.00312279/step Wall: 4871.62, 0.00312279/step, 2.98435 hours remaining, 234.253906 MB of memory in use. ENERGY: 1559600 4023.0539 20597.2833 14379.3679 261.5185 -202977.3844 2582.1184 0.0000 0.0000 52187.4636 -108946.5788 299.9221 -161134.0424 -108590.6105 299.7003 -108.8339 -82.8832 764706.0937 -4.7436 -4.9608 PRESSURE: 1559800 536.526 82.1931 187.821 82.193 121.126 18.4122 187.82 18.4118 144.39 GPRESSURE: 1559800 556.162 122.344 48.5645 149.567 157.28 49.5243 236.083 43.3076 182.44 PRESSAVG: 1559800 22.9745 -16.3835 -32.4328 -16.3835 -21.7255 25.8414 -32.4328 25.8415 -6.40234 GPRESSAVG: 1559800 22.3409 -14.7637 -31.6157 -15.8098 -22.8445 26.6742 -34.2434 27.3831 -4.92682 TIMING: 1559800 CPU: 4872.25, 0.00313453/step Wall: 4872.25, 0.00313453/step, 2.99539 hours remaining, 234.253906 MB of memory in use. ENERGY: 1559800 3950.2573 20300.6969 14420.0720 228.0298 -203009.8032 2790.3905 0.0000 0.0000 52290.8784 -109029.4783 300.5164 -161320.3566 -108670.5413 299.3483 267.3475 298.6272 762894.0224 -1.7178 -1.8102 PRESSURE: 1560000 -47.8611 101.021 177.033 101.021 -236.607 20.5116 177.033 20.5123 -315.658 GPRESSURE: 1560000 57.8775 60.9052 175.248 -80.3757 -283.961 22.4138 62.5497 -149.804 -282.451 PRESSAVG: 1560000 77.2262 -15.679 -13.8747 -15.679 -56.2684 -11.3455 -13.8747 -11.3455 -1.94927 GPRESSAVG: 1560000 77.7643 -18.3326 -13.6063 -16.5546 -56.0465 -11.6028 -15.641 -13.993 -2.33381 TIMING: 1560000 CPU: 4872.88, 0.00312085/step Wall: 4872.88, 0.00312085/step, 2.98214 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1560000 3983.5945 20637.7519 14412.8719 268.1068 -202964.7211 2559.4513 0.0000 0.0000 51984.0444 -109118.9003 298.7530 -161102.9447 -108759.0606 299.5155 -200.0422 -169.5115 763205.6568 6.3362 6.4613 PRESSURE: 1560200 -501.659 -355.723 -322.282 -355.722 -525.834 -65.3054 -322.282 -65.3055 -754.406 GPRESSURE: 1560200 -507.413 -317.042 -287.184 -101.235 -527.387 -8.46364 -294.112 -11.4302 -655.036 PRESSAVG: 1560200 44.6144 -42.207 -20.474 -42.207 -69.59 38.9609 -20.474 38.961 13.3488 GPRESSAVG: 1560200 44.9 -40.0325 -21.0186 -41.5624 -69.7833 40.6656 -18.4987 38.7185 13.6917 TIMING: 1560200 CPU: 4873.5, 0.00313293/step Wall: 4873.5, 0.00313293/step, 2.99351 hours remaining, 234.253906 MB of memory in use. ENERGY: 1560200 4028.9018 20461.6666 14378.5245 255.2651 -202413.7250 2242.3480 0.0000 0.0000 51977.1988 -109069.8202 298.7137 -161047.0190 -108709.8674 299.2152 -593.9662 -563.2786 764485.1504 -3.8756 -3.7306 LDB: ============= START OF LOAD BALANCING ============== 4885.98 LDB: ============== END OF LOAD BALANCING =============== 4885.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4885.98 LDB: ============= START OF LOAD BALANCING ============== 4886.29 LDB: Largest compute 7052 load 0.029783 is 15.3% of average load 0.195108 LDB: Average compute 0.004372 is 2.2% of average load 0.195108 LDB: TIME 4886.3 LOAD: AVG 0.195108 MAX 0.213411 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 4886.3 LOAD: AVG 0.195108 MAX 0.213411 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.457 MB LDB: TIME 4886.3 LOAD: AVG 0.195108 MAX 0.213411 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.457 MB LDB: ============== END OF LOAD BALANCING =============== 4886.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4886.31 PRESSURE: 1560400 89.5678 -262.069 117.184 -262.069 -244.744 -157.772 117.184 -157.773 100.533 GPRESSURE: 1560400 23.7222 -128.041 57.4007 -228.394 -69.5091 -207.68 102.754 -129.017 65.817 PRESSAVG: 1560400 11.8604 24.0587 -51.2962 24.0587 -43.1913 -46.6791 -51.2963 -46.679 8.38985 GPRESSAVG: 1560400 12.3558 25.2277 -52.1784 23.1316 -41.8746 -48.5747 -50.9742 -46.0128 7.07346 TIMING: 1560400 CPU: 4874.14, 0.0031909/step Wall: 4874.14, 0.0031909/step, 3.04873 hours remaining, 234.511719 MB of memory in use. ENERGY: 1560400 3999.6238 20465.6501 14373.8824 248.4160 -202858.5670 2730.8509 0.0000 0.0000 52049.7114 -108990.4322 299.1304 -161040.1436 -108621.0467 299.4707 -18.2143 6.6767 763850.0498 -7.6470 -7.4818 PRESSURE: 1560600 -317.842 -80.1005 -159.349 -80.1005 -83.2858 -16.6923 -159.348 -16.6918 -122.244 GPRESSURE: 1560600 -246.189 -127.201 -140.916 -13.597 -90.5247 -11.7913 -265.774 -128.291 -102.617 PRESSAVG: 1560600 -27.0419 7.62567 -28.2848 7.62564 -41.2643 -39.9786 -28.2848 -39.9785 5.74967 GPRESSAVG: 1560600 -28.3898 6.2007 -26.0292 7.67892 -41.2872 -39.1429 -30.1712 -42.1181 7.68598 TIMING: 1560600 CPU: 4874.77, 0.00313315/step Wall: 4874.77, 0.00313315/step, 2.99338 hours remaining, 234.511719 MB of memory in use. ENERGY: 1560600 3968.4635 20489.4444 14399.5737 254.1889 -202840.4260 2596.2364 0.0000 0.0000 52157.4820 -108975.0371 299.7498 -161132.5191 -108617.0887 299.6966 -174.4572 -146.4434 763459.3922 -20.8522 -20.6637 PRESSURE: 1560800 397.61 163.825 -14.5328 163.826 16.974 -84.0165 -14.5325 -84.0167 45.1853 GPRESSURE: 1560800 420.992 165.418 -121.007 51.0672 47.9169 -82.7639 -38.7313 -61.6377 69.5798 PRESSAVG: 1560800 -33.0775 -4.41883 -37.1504 -4.41881 16.7295 6.64457 -37.1505 6.64459 -12.7862 GPRESSAVG: 1560800 -31.5136 -5.11313 -39.561 -4.06775 16.6557 6.88433 -34.7571 9.05309 -14.1737 TIMING: 1560800 CPU: 4875.39, 0.00312022/step Wall: 4875.39, 0.00312022/step, 2.98085 hours remaining, 234.511719 MB of memory in use. ENERGY: 1560800 3993.3376 20496.3202 14380.2475 241.3309 -202674.6558 2514.5523 0.0000 0.0000 52143.0476 -108905.8197 299.6668 -161048.8673 -108540.7114 299.4242 153.2563 179.4963 761876.4474 -9.7114 -9.6772 PRESSURE: 1561000 392.119 -26.3771 53.4536 -26.3769 344.524 65.5453 53.4543 65.545 360.12 GPRESSURE: 1561000 378.769 -20.0335 117.321 76.6249 381.281 21.3445 -89.8255 69.8017 426.907 PRESSAVG: 1561000 64.923 7.35686 -29.2184 7.35685 -3.77256 3.93894 -29.2184 3.93904 -9.44293 GPRESSAVG: 1561000 64.487 7.48608 -28.3979 6.40287 -3.03822 2.22745 -31.0517 4.43433 -9.35031 TIMING: 1561000 CPU: 4876.01, 0.00311142/step Wall: 4876.01, 0.00311142/step, 2.97227 hours remaining, 234.511719 MB of memory in use. ENERGY: 1561000 3916.5803 20572.9974 14369.7095 249.1777 -202687.2626 2673.8971 0.0000 0.0000 51893.9723 -109010.9283 298.2354 -160904.9006 -108659.4071 299.2586 365.5878 395.6524 763554.6470 17.2358 17.3662 PRESSURE: 1561200 261.55 -134.251 -29.6448 -134.251 11.4625 -115.5 -29.6446 -115.5 -97.4451 GPRESSURE: 1561200 335.849 -5.32951 34.5409 -185.791 -76.1961 -87.6509 -99.9781 -238.635 -3.56467 PRESSAVG: 1561200 56.8136 -14.1911 -28.7061 -14.191 -40.7612 -0.344609 -28.7061 -0.344597 10.1459 GPRESSAVG: 1561200 58.4 -13.8274 -28.4139 -12.4533 -42.3388 2.15847 -27.9935 -0.967799 9.89899 TIMING: 1561200 CPU: 4876.64, 0.00312185/step Wall: 4876.64, 0.00312185/step, 2.98206 hours remaining, 234.511719 MB of memory in use. ENERGY: 1561200 3996.9730 20557.1033 14348.8183 256.2433 -202978.7994 2668.1048 0.0000 0.0000 52183.9859 -108967.5708 299.9021 -161151.5567 -108613.0342 299.5443 58.5225 85.3626 762702.8918 8.7328 8.6534 PRESSURE: 1561400 -302.97 137.968 -119.549 137.968 -384.426 -4.30377 -119.548 -4.30494 223.358 GPRESSURE: 1561400 -314.048 115.232 -134.691 54.464 -252.155 -9.02322 -0.894352 3.76646 202.294 PRESSAVG: 1561400 75.8971 -1.52118 24.5365 -1.52119 -72.944 -66.3665 24.5366 -66.3665 -10.7176 GPRESSAVG: 1561400 74.9338 -0.842906 23.4158 -1.96103 -73.2754 -69.428 26.9564 -65.3551 -9.68498 TIMING: 1561400 CPU: 4877.26, 0.0031338/step Wall: 4877.26, 0.0031338/step, 2.9933 hours remaining, 234.511719 MB of memory in use. ENERGY: 1561400 3941.7391 20337.9457 14461.0553 238.6027 -202575.5137 2403.4800 0.0000 0.0000 52229.3089 -108963.3821 300.1626 -161192.6910 -108584.5368 299.9020 -154.6792 -121.3031 762601.1658 -2.5882 -2.6755 PRESSURE: 1561600 28.2182 -171.89 64.3521 -171.89 -197.465 -67.28 64.3518 -67.2806 -135.153 GPRESSURE: 1561600 93.1044 -183.324 28.7235 -193.015 -154.573 -25.7356 23.3218 -135.608 -153.267 PRESSAVG: 1561600 63.6458 -16.2724 13.3176 -16.2724 -66.842 22.7237 13.3175 22.7237 12.4179 GPRESSAVG: 1561600 63.3075 -18.8372 13.6269 -16.8759 -66.071 25.6809 10.3229 21.507 11.6129 TIMING: 1561600 CPU: 4877.89, 0.00311659/step Wall: 4877.89, 0.00311659/step, 2.97669 hours remaining, 234.511719 MB of memory in use. ENERGY: 1561600 3994.0191 20409.6225 14470.4476 248.8860 -203132.4793 2797.0183 0.0000 0.0000 52174.2328 -109038.2531 299.8460 -161212.4859 -108683.6948 299.3309 -101.4666 -71.5785 762034.6306 3.0739 2.9498 PRESSURE: 1561800 117.678 203.983 -122.855 203.983 81.3331 -119.27 -122.856 -119.269 -12.9677 GPRESSURE: 1561800 94.3174 261.715 -72.6598 165.989 171.409 -124.168 -3.03374 -225.38 -3.216 PRESSAVG: 1561800 47.443 -19.1072 -22.1376 -19.1072 -47.9549 8.77368 -22.1377 8.77374 19.0904 GPRESSAVG: 1561800 47.1584 -17.284 -21.6024 -17.3861 -48.1931 8.46289 -20.7976 10.0059 19.457 TIMING: 1561800 CPU: 4878.51, 0.00312167/step Wall: 4878.51, 0.00312167/step, 2.98137 hours remaining, 234.511719 MB of memory in use. ENERGY: 1561800 3928.2289 20508.3950 14431.1922 243.6223 -202650.8120 2354.4323 0.0000 0.0000 52029.2567 -109155.6846 299.0129 -161184.9413 -108790.6877 299.2704 62.0145 87.5033 763484.7128 6.1928 6.1408 PRESSURE: 1562000 -344.334 -88.5859 245.466 -88.5851 18.5873 -168.384 245.467 -168.384 -166.895 GPRESSURE: 1562000 -202.868 -145.041 309.475 -84.3059 -7.35766 -147.558 89.6814 -75.1332 -217.657 PRESSAVG: 1562000 -4.11907 -18.6224 13.7482 -18.6224 10.6854 7.85711 13.7483 7.85703 -0.0484636 GPRESSAVG: 1562000 -4.97085 -18.4811 14.104 -19.3005 12.1443 6.0863 12.413 7.8347 -0.480843 TIMING: 1562000 CPU: 4879.14, 0.00312192/step Wall: 4879.14, 0.00312192/step, 2.98143 hours remaining, 234.511719 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: 1562000 3931.6693 20349.8620 14387.6912 256.9948 -202905.5711 2636.5344 0.0000 0.0000 52166.0544 -109176.7650 299.7990 -161342.8194 -108816.2839 299.1397 -164.2139 -142.6275 763924.5054 2.1726 2.2309 PRESSURE: 1562200 69.9352 226.751 60.5419 226.751 -132.974 -174.178 60.5428 -174.178 -74.6354 GPRESSURE: 1562200 3.81517 183.408 70.4357 196.156 11.2008 -145.092 78.5928 -148.193 -60.0122 PRESSAVG: 1562200 0.640088 15.1233 -0.847105 15.1234 16.816 27.0234 -0.847102 27.0234 -32.8947 GPRESSAVG: 1562200 -1.17579 14.7148 -1.57076 15.0317 17.0045 27.235 -1.81607 26.5433 -31.5846 TIMING: 1562200 CPU: 4879.76, 0.00311228/step Wall: 4879.76, 0.00311227/step, 2.97205 hours remaining, 234.511719 MB of memory in use. ENERGY: 1562200 3896.1007 20456.1382 14438.1141 223.3984 -203242.5305 2897.2015 0.0000 0.0000 52096.1186 -109235.4588 299.3971 -161331.5775 -108880.3956 299.0527 -45.8914 -14.9987 764547.7415 -5.1462 -5.2520 PRESSURE: 1562400 -232.874 -159.804 259.255 -159.804 155.015 -116.653 259.255 -116.653 -285.514 GPRESSURE: 1562400 -86.7313 -255.107 219.431 -266.998 105.259 -76.1876 405.87 -84.7405 -273.729 PRESSAVG: 1562400 8.54905 7.90637 2.87002 7.90638 -7.45916 -7.4519 2.87001 -7.45189 15.947 GPRESSAVG: 1562400 10.4981 9.06235 1.9206 7.16709 -8.86309 -7.13678 4.40071 -7.24191 15.644 TIMING: 1562400 CPU: 4880.38, 0.00311075/step Wall: 4880.38, 0.00311075/step, 2.97042 hours remaining, 234.511719 MB of memory in use. ENERGY: 1562400 3931.1392 20526.6223 14442.4932 241.1886 -203044.6474 2634.5272 0.0000 0.0000 52083.8430 -109184.8338 299.3266 -161268.6768 -108829.0236 298.9597 -121.1245 -85.0671 762450.9232 5.6790 5.7597 PRESSURE: 1562600 -67.1886 -221.952 -124.557 -221.952 0.77694 -123.278 -124.557 -123.278 379.35 GPRESSURE: 1562600 24.6368 -75.7103 -82.9706 -200.529 11.6297 -132.187 -74.9805 -99.682 365.989 PRESSAVG: 1562600 -53.5371 6.97791 20.5142 6.9779 35.5375 5.83202 20.5141 5.83197 15.9953 GPRESSAVG: 1562600 -53.9939 6.36512 20.5798 7.42792 35.9953 7.85064 21.3597 3.1179 15.9283 TIMING: 1562600 CPU: 4881.01, 0.00312315/step Wall: 4881.01, 0.00312315/step, 2.98208 hours remaining, 234.511719 MB of memory in use. ENERGY: 1562600 4017.4911 20477.5428 14519.3120 260.2311 -203156.3503 3022.3192 0.0000 0.0000 52089.4281 -108770.0259 299.3587 -160859.4540 -108403.2120 299.3408 104.3128 134.0852 765207.0218 -0.6681 -0.6901 PRESSURE: 1562800 142.816 174.55 285.779 174.551 -114.625 -9.40899 285.779 -9.40913 -696.271 GPRESSURE: 1562800 183.303 138.204 205.24 172.251 -170.408 31.7302 169.024 19.7356 -604.001 PRESSAVG: 1562800 -81.7631 35.4026 -5.19977 35.4027 -6.42131 19.2294 -5.19982 19.2295 -13.6281 GPRESSAVG: 1562800 -81.7397 37.8673 -4.94589 34.032 -7.00015 17.7065 -7.32782 21.1174 -13.559 TIMING: 1562800 CPU: 4881.63, 0.00312373/step Wall: 4881.63, 0.00312373/step, 2.98247 hours remaining, 234.511719 MB of memory in use. ENERGY: 1562800 4045.7246 20370.2931 14477.3494 243.6884 -203119.3248 2840.3915 0.0000 0.0000 52235.7723 -108906.1055 300.1997 -161141.8777 -108541.6382 299.9757 -222.6934 -197.0354 764980.9585 -33.9375 -34.0996 PRESSURE: 1563000 -116.212 -337.279 177.031 -337.279 -232.291 -159.69 177.032 -159.688 -219.866 GPRESSURE: 1563000 -60.4023 -387.731 199.305 -301.411 -221.489 -137.82 110.58 -216.053 -219.428 PRESSAVG: 1563000 3.53563 -22.2553 5.38555 -22.2554 0.971081 -15.3155 5.3856 -15.3155 18.2914 GPRESSAVG: 1563000 3.9719 -26.0158 4.59106 -20.6646 0.771392 -14.9074 8.09437 -16.5264 18.0522 TIMING: 1563000 CPU: 4882.26, 0.00313117/step Wall: 4882.26, 0.00313117/step, 2.9894 hours remaining, 234.511719 MB of memory in use. ENERGY: 1563000 4043.0224 20606.1233 14435.0577 248.8761 -203313.7722 2881.5057 0.0000 0.0000 52072.1429 -109027.0441 299.2593 -161099.1869 -108663.2031 299.8508 -189.4565 -167.1065 765826.8997 7.5994 7.5985 PRESSURE: 1563200 -537.667 174.866 264.033 174.866 -159.064 -163.575 264.033 -163.575 -213.236 GPRESSURE: 1563200 -464.648 194.289 300.827 208.56 -43.1979 -219.156 203.224 -146.611 -299.055 PRESSAVG: 1563200 47.5362 1.36766 57.0147 1.36763 -50.0118 17.4997 57.0146 17.4997 0.0481725 GPRESSAVG: 1563200 47.6657 2.44006 57.561 3.29135 -49.0711 16.8228 54.1061 20.4506 -0.421235 TIMING: 1563200 CPU: 4882.88, 0.00311181/step Wall: 4882.88, 0.00311181/step, 2.97074 hours remaining, 234.511719 MB of memory in use. ENERGY: 1563200 4050.9747 20529.7583 14437.2387 237.7269 -203334.4866 2842.5205 0.0000 0.0000 52077.0180 -109159.2494 299.2873 -161236.2674 -108794.5448 299.2981 -303.3225 -268.9668 765180.5759 -0.8091 -0.6089 PRESSURE: 1563400 -182.801 29.4012 -166.801 29.401 195.185 -143.007 -166.801 -143.006 129.399 GPRESSURE: 1563400 -139.392 3.35997 -194.074 67.2033 182.106 -146.261 -230.732 16.4868 170.533 PRESSAVG: 1563400 -0.431292 13.7085 -8.69305 13.7085 29.4012 33.0463 -8.69302 33.0463 -0.524465 GPRESSAVG: 1563400 -0.836297 15.9004 -7.65279 11.8848 28.6641 32.9783 -7.5567 32.2422 0.374509 TIMING: 1563400 CPU: 4883.5, 0.00312326/step Wall: 4883.5, 0.00312326/step, 2.9815 hours remaining, 234.511719 MB of memory in use. ENERGY: 1563400 3999.7650 20545.7693 14463.9835 242.0655 -203075.8826 2781.3103 0.0000 0.0000 51917.0566 -109125.9325 298.3680 -161042.9892 -108759.2650 299.3645 47.2610 71.0826 763659.7967 9.4818 9.4008 PRESSURE: 1563600 -38.9139 -138.275 -105.82 -138.275 82.7322 110.323 -105.82 110.322 59.9353 GPRESSURE: 1563600 -24.5941 -97.3581 -106.726 -30.7576 180.849 219.08 -30.2751 69.6167 24.6129 PRESSAVG: 1563600 -4.29925 -13.8376 38.4085 -13.8376 -13.9003 47.7371 38.4085 47.737 -12.2803 GPRESSAVG: 1563600 -4.19851 -15.3372 37.3508 -12.3121 -13.5614 48.6647 39.1656 48.45 -13.1187 TIMING: 1563600 CPU: 4884.13, 0.00312034/step Wall: 4884.13, 0.00312033/step, 2.97853 hours remaining, 234.511719 MB of memory in use. ENERGY: 1563600 4011.3674 20608.7998 14470.6953 256.4575 -203208.1061 2839.1807 0.0000 0.0000 51906.2507 -109115.3546 298.3059 -161021.6054 -108760.7567 298.9940 34.5846 60.2894 763169.0169 -10.1600 -10.2929 PRESSURE: 1563800 -59.418 68.3248 2.30334 68.3249 203.585 196.608 2.30321 196.607 -157.807 GPRESSURE: 1563800 -69.5273 16.9035 -58.4343 51.7753 213.57 299.08 -32.2656 101.459 -72.7559 PRESSAVG: 1563800 41.4738 20.148 34.5594 20.148 -52.5196 20.5113 34.5594 20.5112 -19.2165 GPRESSAVG: 1563800 41.3861 18.7184 35.1001 19.2784 -53.2057 20.5851 31.4805 19.4668 -17.9152 TIMING: 1563800 CPU: 4884.75, 0.00312142/step Wall: 4884.75, 0.00312142/step, 2.9794 hours remaining, 234.511719 MB of memory in use. ENERGY: 1563800 4001.2463 20640.1817 14486.5749 232.7547 -203486.3157 2945.4143 0.0000 0.0000 52138.5302 -109041.6135 299.6408 -161180.1437 -108686.8824 299.2038 -4.5467 23.7623 764533.0324 -10.0874 -9.9116 PRESSURE: 1564000 66.2457 235.438 1.0012 235.438 -220.279 -94.1129 1.00066 -94.113 -299.078 GPRESSURE: 1564000 52.1359 150.716 12.4642 190.461 -176.11 -93.8068 -114.341 -73.7163 -241.235 PRESSAVG: 1564000 -20.7496 -8.5823 -35.1876 -8.58225 -55.8667 12.7599 -35.1876 12.7598 5.49151 GPRESSAVG: 1564000 -20.3008 -6.37973 -36.1911 -11.1119 -55.3216 12.6844 -32.8725 12.8289 4.86316 TIMING: 1564000 CPU: 4885.38, 0.0031243/step Wall: 4885.38, 0.0031243/step, 2.98197 hours remaining, 234.511719 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: 1564000 4017.4364 20514.5788 14419.0320 251.3524 -203427.4601 2894.1229 0.0000 0.0000 51924.7987 -109406.1390 298.4125 -161330.9376 -109053.8848 298.9357 -151.0370 -121.7364 763815.9944 -23.7083 -23.5864 PRESSURE: 1564200 -41.9014 -127.272 -133.607 -127.273 105.458 5.14506 -133.606 5.14407 184.817 GPRESSURE: 1564200 -90.8195 9.38083 -105.31 -165.572 192.45 75.3554 -166.445 -31.7887 220.59 PRESSAVG: 1564200 -14.8715 10.8668 -75.5386 10.8667 -22.6727 -35.7898 -75.5387 -35.7898 10.9689 GPRESSAVG: 1564200 -16.2709 9.8209 -75.8064 14.6214 -20.9184 -37.4712 -76.3093 -35.5432 10.2164 TIMING: 1564200 CPU: 4886, 0.00312034/step Wall: 4886, 0.00312034/step, 2.97801 hours remaining, 234.511719 MB of memory in use. ENERGY: 1564200 3953.5885 20417.4675 14444.6013 266.6873 -203282.3657 2837.1143 0.0000 0.0000 52075.2735 -109287.6332 299.2773 -161362.9067 -108921.3165 298.9007 82.7911 107.4068 762450.4971 -8.8584 -8.9909 LDB: ============= START OF LOAD BALANCING ============== 4898.48 LDB: ============== END OF LOAD BALANCING =============== 4898.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4898.48 LDB: ============= START OF LOAD BALANCING ============== 4898.79 LDB: Largest compute 7052 load 0.028763 is 14.7% of average load 0.195042 LDB: Average compute 0.004371 is 2.2% of average load 0.195042 LDB: TIME 4898.79 LOAD: AVG 0.195042 MAX 0.21492 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.824 MB LDB: TIME 4898.79 LOAD: AVG 0.195042 MAX 0.21492 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.824 MB LDB: TIME 4898.79 LOAD: AVG 0.195042 MAX 0.21492 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.824 MB LDB: ============== END OF LOAD BALANCING =============== 4898.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4898.8 PRESSURE: 1564400 -34.9643 -114.128 20.8511 -114.128 -133.371 -175.1 20.851 -175.1 63.2356 GPRESSURE: 1564400 8.98241 -24.6364 114.701 -81.9029 -94.483 -98.727 -98.5969 -205.564 51.4212 PRESSAVG: 1564400 -5.41854 20.6221 -15.6633 20.6221 13.0333 10.8611 -15.6634 10.861 8.76451 GPRESSAVG: 1564400 -3.89261 23.3669 -15.2093 18.2138 11.3415 10.3979 -16.2634 9.51793 9.54323 TIMING: 1564400 CPU: 4886.64, 0.00317105/step Wall: 4886.64, 0.00317105/step, 3.02624 hours remaining, 236.308594 MB of memory in use. ENERGY: 1564400 3935.4943 20577.4079 14404.9100 246.2584 -203203.6225 2745.6387 0.0000 0.0000 51911.9659 -109381.9474 298.3388 -161293.9133 -109018.8369 299.5409 -35.0334 -11.3598 762493.0221 5.4598 5.6640 PRESSURE: 1564600 -206.35 -32.0891 -90.6994 -32.0888 -173.288 199.149 -90.6994 199.148 37.0545 GPRESSURE: 1564600 -173.265 -9.12342 -103.87 43.4247 -119.268 215.957 3.65366 176.99 42.8466 PRESSAVG: 1564600 -5.33509 35.0297 34.2735 35.0296 -24.0082 -2.23851 34.2735 -2.23855 13.0749 GPRESSAVG: 1564600 -6.65004 33.424 33.1694 34.9251 -22.4492 0.0994316 34.1557 -1.44968 13.1657 TIMING: 1564600 CPU: 4887.26, 0.00312463/step Wall: 4887.26, 0.00312463/step, 2.98177 hours remaining, 236.511719 MB of memory in use. ENERGY: 1564600 4024.1510 20551.8266 14436.2476 249.4197 -203366.7548 2713.8125 0.0000 0.0000 52120.6655 -109270.6319 299.5382 -161391.2974 -108916.8253 299.1375 -114.1945 -83.2288 761451.7842 -5.4228 -5.3112 PRESSURE: 1564800 259.708 38.8186 176.313 38.8187 58.6806 16.1142 176.314 16.1143 264.605 GPRESSURE: 1564800 215.623 5.67666 241.954 -0.935123 115.933 -9.83612 111.949 -0.101668 345.194 PRESSAVG: 1564800 16.9422 34.0455 5.74661 34.0455 -0.660132 -2.19338 5.74664 -2.19332 -32.2621 GPRESSAVG: 1564800 17.7064 35.8458 8.42131 32.3303 -0.861468 -1.21295 6.48353 -4.89547 -32.8904 TIMING: 1564800 CPU: 4887.89, 0.00312526/step Wall: 4887.89, 0.00312526/step, 2.98219 hours remaining, 236.511719 MB of memory in use. ENERGY: 1564800 4016.9400 20406.1941 14363.8478 257.1774 -203307.0150 2853.5397 0.0000 0.0000 52032.7017 -109376.6144 299.0327 -161409.3160 -108999.5945 298.7515 194.3314 225.5833 763730.7857 -5.3267 -5.3485 PRESSURE: 1565000 13.0423 -3.85826 -85.3355 -3.85744 -289.618 -271.916 -85.3353 -271.918 -219.904 GPRESSURE: 1565000 22.5842 25.8295 -59.9928 83.9911 -240.882 -330.429 -82.6405 -214.794 -171.412 PRESSAVG: 1565000 27.0707 55.0222 -9.60256 55.0222 -63.1875 -13.4131 -9.60257 -13.4132 -9.43432 GPRESSAVG: 1565000 26.1206 52.8329 -9.84679 57.3163 -64.6902 -14.4503 -9.82368 -13.2703 -7.32987 TIMING: 1565000 CPU: 4888.51, 0.00311813/step Wall: 4888.51, 0.00311813/step, 2.97522 hours remaining, 236.511719 MB of memory in use. ENERGY: 1565000 3946.6943 20313.5278 14429.4596 249.0138 -203018.8031 2683.6945 0.0000 0.0000 51885.1225 -109511.2905 298.1845 -161396.4130 -109150.2086 298.2931 -165.4932 -129.9031 763669.8020 -15.1837 -15.2998 PRESSURE: 1565200 -460.093 20.0825 -274.158 20.083 -343.204 -99.7473 -274.157 -99.7476 -487.945 GPRESSURE: 1565200 -380.086 77.3409 -249.516 -75.1998 -349.975 51.9328 -212.01 21.0615 -483.629 PRESSAVG: 1565200 20.9014 61.5438 -8.37676 61.5438 -55.43 -61.657 -8.37681 -61.6569 -19.2499 GPRESSAVG: 1565200 22.0746 62.9411 -8.87915 58.0043 -54.7627 -61.4682 -7.20081 -59.648 -21.068 TIMING: 1565200 CPU: 4889.13, 0.00310298/step Wall: 4889.13, 0.00310298/step, 2.96059 hours remaining, 236.511719 MB of memory in use. ENERGY: 1565200 4046.2877 20594.8630 14440.9670 248.4348 -203098.8877 2684.1819 0.0000 0.0000 51894.9189 -109189.2344 298.2408 -161084.1533 -108829.0301 298.8550 -430.4139 -404.5632 763180.7938 -17.9262 -17.9187 PRESSURE: 1565400 -90.5599 -169.463 -136.061 -169.463 -220.645 9.9677 -136.06 9.96738 -92.8489 GPRESSURE: 1565400 30.0059 -116.963 -128.984 -230.308 -224.437 71.1612 -47.3855 19.4054 -116.284 PRESSAVG: 1565400 5.17049 6.50414 10.1091 6.50418 -58.7868 -21.7909 10.1091 -21.7908 -21.3514 GPRESSAVG: 1565400 5.85758 3.64588 9.48376 10.0228 -58.9183 -21.8041 9.39457 -22.5037 -22.0261 TIMING: 1565400 CPU: 4889.75, 0.00312552/step Wall: 4889.75, 0.00312552/step, 2.98192 hours remaining, 236.511719 MB of memory in use. ENERGY: 1565400 3987.3509 20447.9386 14456.5089 249.7152 -203002.2550 2706.0249 0.0000 0.0000 52125.9068 -109028.8098 299.5683 -161154.7166 -108655.6750 299.3749 -134.6846 -103.5718 763947.2035 -24.9892 -25.0289 PRESSURE: 1565600 26.831 13.281 29.2433 13.2813 -377.106 20.9506 29.2434 20.9504 -220.579 GPRESSURE: 1565600 111.487 52.3759 -10.5061 -36.0889 -422.074 21.0934 72.9523 -73.2401 -184.603 PRESSAVG: 1565600 76.0385 32.6952 -20.0051 32.6951 -65.7277 -42.3038 -20.0051 -42.3037 2.98694 GPRESSAVG: 1565600 76.994 33.4241 -20.2651 31.3669 -67.1247 -43.3286 -19.1322 -41.5612 4.14137 TIMING: 1565600 CPU: 4890.38, 0.00311477/step Wall: 4890.38, 0.00311478/step, 2.9715 hours remaining, 236.511719 MB of memory in use. ENERGY: 1565600 3986.3522 20620.4365 14433.5182 278.0130 -203197.7221 2686.1706 0.0000 0.0000 52234.7995 -108958.4321 300.1941 -161193.2316 -108591.3035 299.4577 -190.2848 -165.0633 762646.9144 4.4326 4.6702 PRESSURE: 1565800 63.5548 138.627 -282.009 138.628 66.2726 154.441 -282.009 154.441 -261.604 GPRESSURE: 1565800 57.087 16.9112 -304.848 86.4498 146.555 133.491 -285.551 112.068 -255.698 PRESSAVG: 1565800 44.5401 46.1185 51.0119 46.1185 -43.0716 2.18282 51.0119 2.18284 -2.189 GPRESSAVG: 1565800 42.4859 47.4769 50.5522 46.0509 -41.0694 3.83093 49.2892 2.74437 -2.58874 TIMING: 1565800 CPU: 4891, 0.00311973/step Wall: 4891, 0.00311973/step, 2.97605 hours remaining, 236.511719 MB of memory in use. ENERGY: 1565800 3970.7055 20670.3479 14502.8786 253.7280 -203401.6398 2915.3659 0.0000 0.0000 52185.9013 -108902.7126 299.9131 -161088.6139 -108546.9994 300.2297 -43.9254 -17.3519 763305.5676 -0.2402 -0.3907 PRESSURE: 1566000 -91.5647 143.315 -38.3979 143.316 -232.777 -186.052 -38.3987 -186.051 -136.178 GPRESSURE: 1566000 -144.174 219.177 -59.1303 120.415 -172.322 -248.412 -62.2405 -157.134 -66.3239 PRESSAVG: 1566000 -26.6146 59.4304 -22.0288 59.4304 25.7993 29.6181 -22.0288 29.6181 -9.22975 GPRESSAVG: 1566000 -26.1785 59.3117 -20.051 60.49 25.8446 27.7392 -23.8972 30.175 -9.68122 TIMING: 1566000 CPU: 4891.63, 0.0031355/step Wall: 4891.63, 0.0031355/step, 2.99092 hours remaining, 236.511719 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: 1566000 4065.0818 20532.7597 14444.4666 244.6440 -203406.0656 3015.0985 0.0000 0.0000 52167.2159 -108936.7992 299.8057 -161104.0151 -108568.3839 299.9667 -153.5066 -127.6069 765074.2519 -3.3483 -3.3384 PRESSURE: 1566200 154.563 173.031 230.115 173.031 43.9387 -293.447 230.115 -293.448 218.353 GPRESSURE: 1566200 195.959 106.059 177.129 103.949 54.3195 -218.154 306.079 -209.686 268.786 PRESSAVG: 1566200 -0.340983 27.2604 -39.9369 27.2604 -33.048 -27.9237 -39.937 -27.9237 -24.2966 GPRESSAVG: 1566200 -1.18938 26.6367 -41.1018 25.0998 -33.0318 -25.0019 -38.3527 -28.976 -23.2755 TIMING: 1566200 CPU: 4892.25, 0.00312608/step Wall: 4892.25, 0.00312608/step, 2.98176 hours remaining, 236.511719 MB of memory in use. ENERGY: 1566200 4014.6616 20558.3667 14358.4593 227.7662 -203081.1331 2852.0012 0.0000 0.0000 52102.4388 -108967.4393 299.4334 -161069.8781 -108603.9570 299.6771 138.9518 173.0215 763175.7917 -19.2285 -19.1656 PRESSURE: 1566400 -118.548 109.161 -185.276 109.161 40.7545 0.0333905 -185.276 0.0337807 -276.126 GPRESSURE: 1566400 -74.4743 146.049 -81.0305 -29.2732 68.7148 83.9487 -71.586 70.0898 -269.478 PRESSAVG: 1566400 33.1938 19.0119 -62.2488 19.012 -44.7412 -8.92217 -62.2488 -8.92218 -3.41614 GPRESSAVG: 1566400 35.4548 19.0223 -62.0255 20.8784 -44.4508 -9.45599 -62.4135 -8.2634 -5.45862 TIMING: 1566400 CPU: 4892.88, 0.00312884/step Wall: 4892.88, 0.00312884/step, 2.98422 hours remaining, 236.511719 MB of memory in use. ENERGY: 1566400 3996.3033 20617.1062 14393.7954 246.1689 -203384.1033 3011.5416 0.0000 0.0000 52113.4569 -109005.7309 299.4968 -161119.1878 -108642.0650 299.3332 -117.9733 -91.7460 763253.1230 -4.9879 -4.8182 PRESSURE: 1566600 -335.907 -17.3386 77.8894 -17.3386 61.4423 28.1971 77.8903 28.1981 -368.389 GPRESSURE: 1566600 -401.152 -56.5082 53.9925 -72.4576 134.322 45.2151 84.6084 66.051 -285.804 PRESSAVG: 1566600 -37.06 -43.0618 -63.7922 -43.0618 5.87228 -61.924 -63.7922 -61.9239 8.85292 GPRESSAVG: 1566600 -37.3042 -45.0099 -64.5011 -44.8644 4.88008 -62.125 -64.3006 -60.4516 10.1224 TIMING: 1566600 CPU: 4893.5, 0.0031214/step Wall: 4893.5, 0.0031214/step, 2.97695 hours remaining, 236.511719 MB of memory in use. ENERGY: 1566600 3960.9997 20368.9227 14352.2025 231.9057 -202693.8848 2876.4728 0.0000 0.0000 51920.5631 -108982.8182 298.3882 -160903.3813 -108620.8566 299.5270 -214.2845 -184.2114 763883.7710 -7.4449 -7.4339 PRESSURE: 1566800 -1.95186 56.9406 -161.007 56.9406 -169.805 -50.9827 -161.006 -50.9826 -253.331 GPRESSURE: 1566800 -60.7952 7.62589 -153.282 119.299 -76.905 -147.496 -117.815 -82.8525 -203.15 PRESSAVG: 1566800 -34.6756 -14.043 -50.0247 -14.043 62.7678 4.54688 -50.0247 4.54693 7.40911 GPRESSAVG: 1566800 -35.7677 -13.2062 -50.187 -11.3921 63.1241 4.08241 -48.3358 3.98301 7.78609 TIMING: 1566800 CPU: 4894.13, 0.00313599/step Wall: 4894.13, 0.00313599/step, 2.99069 hours remaining, 236.511719 MB of memory in use. ENERGY: 1566800 3953.8473 20283.1598 14446.5811 239.4251 -202756.4951 2402.2360 0.0000 0.0000 52203.7560 -109227.4898 300.0157 -161431.2458 -108862.5552 299.1846 -141.6959 -113.6167 763568.0945 11.8337 11.7141 PRESSURE: 1567000 -72.4081 138.859 -87.1146 138.859 -292.076 -15.5928 -87.1148 -15.5925 92.1816 GPRESSURE: 1567000 -91.1507 55.649 -19.2305 -4.0031 -142.01 -81.3993 -64.4322 -34.393 45.9187 PRESSAVG: 1567000 -27.7994 -19.9058 -66.4361 -19.9057 30.4203 -18.4429 -66.4361 -18.4428 -4.80789 GPRESSAVG: 1567000 -27.6758 -20.1456 -66.2749 -23.8438 31.7121 -17.7885 -67.139 -19.8871 -6.28839 TIMING: 1567000 CPU: 4894.76, 0.00313002/step Wall: 4894.76, 0.00313003/step, 2.98483 hours remaining, 236.511719 MB of memory in use. ENERGY: 1567000 4008.8808 20487.2675 14366.0183 267.9288 -202850.8684 2213.3543 0.0000 0.0000 52190.6040 -109316.8147 299.9401 -161507.4186 -108946.6916 299.1113 -90.7674 -62.4139 763444.0468 -0.7290 -0.7507 PRESSURE: 1567200 313.517 61.0459 191.189 61.0458 296.82 -12.2132 191.188 -12.2142 -88.4032 GPRESSURE: 1567200 294.185 65.6556 213.807 189.281 369.318 -94.9025 181.986 -103.821 -46.7317 PRESSAVG: 1567200 17.6673 -30.5305 -19.3027 -30.5305 -11.705 1.66849 -19.3027 1.6684 14.0081 GPRESSAVG: 1567200 16.9831 -29.5925 -20.6479 -27.1468 -11.6353 1.93652 -18.832 2.01582 14.3322 TIMING: 1567200 CPU: 4895.38, 0.00312223/step Wall: 4895.38, 0.00312223/step, 2.97722 hours remaining, 236.511719 MB of memory in use. ENERGY: 1567200 4078.5001 20731.9248 14358.3837 231.2965 -203165.7425 2679.6915 0.0000 0.0000 52001.6282 -109084.3176 298.8541 -161085.9458 -108731.8250 298.8031 173.9777 205.5904 763206.4236 6.6568 6.5600 PRESSURE: 1567400 -127.27 -143.441 -297.978 -143.441 -101.236 3.45763 -297.978 3.45641 313.711 GPRESSURE: 1567400 -51.5293 -122.172 -202.178 -108.872 -114.339 -2.97703 -220.108 -131.706 333.905 PRESSAVG: 1567400 -16.7035 -49.1367 -19.7357 -49.1367 5.81651 -27.3795 -19.7357 -27.3795 0.658374 GPRESSAVG: 1567400 -15.27 -50.2039 -17.9041 -51.3748 4.62959 -27.2214 -20.1011 -27.5338 1.14159 TIMING: 1567400 CPU: 4896, 0.00310543/step Wall: 4896, 0.00310543/step, 2.96103 hours remaining, 236.511719 MB of memory in use. ENERGY: 1567400 3980.5793 20578.0034 14401.0779 266.2575 -203267.5479 3115.4246 0.0000 0.0000 52105.9229 -108820.2824 299.4535 -160926.2052 -108454.4415 299.8407 28.4017 56.0124 763424.2378 -3.4096 -3.1663 PRESSURE: 1567600 179.454 -40.069 95.5184 -40.0692 90.9622 48.2258 95.519 48.2266 -80.0362 GPRESSURE: 1567600 249.727 -85.8357 139.576 -3.87774 85.2095 86.4171 41.1865 42.3439 -76.2292 PRESSAVG: 1567600 -6.84607 -42.9766 19.333 -42.9766 14.5304 -23.2296 19.3332 -23.2296 11.3645 GPRESSAVG: 1567600 -8.61665 -42.4898 19.2954 -42.7538 14.9522 -22.4715 23.2321 -23.1228 12.1377 TIMING: 1567600 CPU: 4896.63, 0.00312831/step Wall: 4896.63, 0.00312831/step, 2.98267 hours remaining, 236.511719 MB of memory in use. ENERGY: 1567600 3984.5825 20744.3404 14449.5421 232.4907 -202988.4300 2626.3037 0.0000 0.0000 52172.2645 -108778.9060 299.8347 -160951.1706 -108418.3324 299.6959 63.4601 86.2357 761462.7857 6.3496 6.1577 PRESSURE: 1567800 74.1864 53.5397 61.6919 53.5401 281.814 -206.879 61.6915 -206.88 140.37 GPRESSURE: 1567800 118.381 213.88 71.4809 132.219 351.222 -126.387 28.2023 -143.273 94.4197 PRESSAVG: 1567800 25.4863 -8.93972 -17.4968 -8.9397 -45.8052 -36.1343 -17.4967 -36.1342 4.9096 GPRESSAVG: 1567800 26.549 -9.0997 -17.7217 -7.79051 -46.2325 -36.5403 -22.2288 -36.4209 4.82842 TIMING: 1567800 CPU: 4897.25, 0.00311931/step Wall: 4897.25, 0.00311931/step, 2.97392 hours remaining, 236.511719 MB of memory in use. ENERGY: 1567800 3922.4360 20556.8348 14358.6213 248.5383 -203122.2752 2813.5382 0.0000 0.0000 52195.9781 -109026.3285 299.9710 -161222.3066 -108661.0847 299.7560 165.4570 188.0075 763089.0577 -5.1364 -4.9517 PRESSURE: 1568000 46.5083 127.869 -24.6771 127.869 33.9867 -70.2804 -24.6772 -70.2806 -31.608 GPRESSURE: 1568000 142.738 108.577 45.2754 91.7684 -26.0662 -26.8604 -133.001 -110.715 18.272 PRESSAVG: 1568000 -42.6876 31.5876 3.51244 31.5876 27.3332 1.49503 3.51254 1.49504 -15.2476 GPRESSAVG: 1568000 -41.8677 31.0343 5.52851 33.9378 27.323 1.19001 5.28748 2.82052 -15.2338 TIMING: 1568000 CPU: 4897.88, 0.00311833/step Wall: 4897.88, 0.00311833/step, 2.97281 hours remaining, 236.511719 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: 1568000 4020.3608 20490.6268 14445.0829 234.6313 -202975.2732 2671.6823 0.0000 0.0000 52058.0636 -109054.8255 299.1784 -161112.8892 -108694.5262 299.3133 16.2957 44.9811 762979.4901 -10.2007 -9.9262 PRESSURE: 1568200 -462.231 133.534 171.53 133.535 -31.9599 -228.033 171.53 -228.032 91.3231 GPRESSURE: 1568200 -457.521 89.5096 190.225 94.3538 -9.41379 -204.89 59.1984 -279.478 144.45 PRESSAVG: 1568200 -37.1488 23.1093 9.24567 23.1094 99.8512 -4.06272 9.24571 -4.06277 2.35926 GPRESSAVG: 1568200 -38.9247 23.0425 6.39181 20.3039 101.042 -3.52133 9.21757 -5.09671 2.86971 TIMING: 1568200 CPU: 4898.5, 0.00312025/step Wall: 4898.5, 0.00312025/step, 2.97447 hours remaining, 236.511719 MB of memory in use. ENERGY: 1568200 3972.6125 20568.9306 14504.8351 265.5107 -203068.1471 2721.1457 0.0000 0.0000 52188.7532 -108846.3594 299.9295 -161035.1126 -108476.9586 299.7647 -134.2893 -107.4951 763056.3581 21.6872 21.6625 LDB: ============= START OF LOAD BALANCING ============== 4910.98 LDB: ============== END OF LOAD BALANCING =============== 4910.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4910.98 LDB: ============= START OF LOAD BALANCING ============== 4911.29 LDB: Largest compute 6983 load 0.030678 is 15.7% of average load 0.195128 LDB: Average compute 0.004387 is 2.2% of average load 0.195128 LDB: TIME 4911.29 LOAD: AVG 0.195128 MAX 0.218168 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.57 MB LDB: TIME 4911.3 LOAD: AVG 0.195128 MAX 0.218168 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.57 MB LDB: TIME 4911.3 LOAD: AVG 0.195128 MAX 0.215895 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.57 MB LDB: ============== END OF LOAD BALANCING =============== 4911.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4911.3 PRESSURE: 1568400 -45.8133 53.8079 12.3198 53.808 -50.9295 104.953 12.3195 104.954 -213.742 GPRESSURE: 1568400 15.0521 110.267 74.9546 72.1524 -27.3883 36.5724 -4.8397 141.753 -226.5 PRESSAVG: 1568400 -6.71383 15.6521 28.4323 15.6521 44.7539 16.0715 28.4323 16.0715 23.1782 GPRESSAVG: 1568400 -6.11511 16.4416 29.7351 17.2576 44.2603 13.7598 28.3454 14.4169 22.8346 TIMING: 1568400 CPU: 4899.14, 0.00318451/step Wall: 4899.14, 0.00318451/step, 3.03555 hours remaining, 234.367188 MB of memory in use. ENERGY: 1568400 4017.5513 20663.3000 14435.4110 257.5653 -202921.3022 2520.1118 0.0000 0.0000 52075.1120 -108952.2508 299.2764 -161027.3628 -108589.5197 299.8489 -103.4949 -79.6120 763382.7148 20.4061 20.3266 PRESSURE: 1568600 30.7985 5.29521 -262.511 5.29462 -81.2521 144.659 -262.511 144.659 297.396 GPRESSURE: 1568600 39.25 -91.4877 -237.226 76.4681 -55.5674 152.699 -174.666 132.695 352.47 PRESSAVG: 1568600 -9.54015 -7.22919 -2.59598 -7.2292 13.1777 2.1549 -2.59596 2.15492 -0.999138 GPRESSAVG: 1568600 -9.68682 -8.59448 -5.2369 -8.5161 13.4809 3.51906 -1.74765 5.29256 -1.25956 TIMING: 1568600 CPU: 4899.76, 0.00312187/step Wall: 4899.76, 0.00312187/step, 2.97566 hours remaining, 234.367188 MB of memory in use. ENERGY: 1568600 3968.5088 20455.0184 14441.3151 231.3877 -202881.6727 2634.0867 0.0000 0.0000 52261.6650 -108889.6910 300.3485 -161151.3560 -108523.5222 299.9810 82.3140 112.0507 762589.5446 0.8795 0.8448 PRESSURE: 1568800 -100.765 133.876 -26.546 133.877 -270.378 140.327 -26.5464 140.328 -183.065 GPRESSURE: 1568800 -103.99 108.214 -30.6849 -20.6619 -233.954 137.07 44.7885 0.223417 -133.653 PRESSAVG: 1568800 3.21022 -20.8314 -11.645 -20.8314 -53.499 30.8964 -11.645 30.8964 9.47292 GPRESSAVG: 1568800 3.54595 -18.7592 -9.76255 -21.3014 -53.067 30.2463 -12.2465 30.8989 8.29837 TIMING: 1568800 CPU: 4900.38, 0.00311446/step Wall: 4900.38, 0.00311446/step, 2.96843 hours remaining, 234.367188 MB of memory in use. ENERGY: 1568800 4059.5949 20480.4154 14475.1368 229.8252 -202899.2386 2555.5372 0.0000 0.0000 52302.2362 -108796.4929 300.5817 -161098.7291 -108427.2757 299.8054 -184.7361 -157.1994 763762.7138 -13.6053 -13.7409 PRESSURE: 1569000 -167.602 -63.5924 -91.1097 -63.5924 -277.128 -61.7065 -91.1092 -61.7057 -209.582 GPRESSURE: 1569000 -135.482 -56.1689 -56.3342 -50.5552 -233.976 -82.3659 -91.5817 -79.6612 -196.758 PRESSAVG: 1569000 21.0318 -5.32542 -41.5552 -5.32535 -68.9869 26.9413 -41.5552 26.9413 19.686 GPRESSAVG: 1569000 20.5534 -7.60407 -40.1576 -4.45778 -69.6417 30.1455 -41.6398 24.5672 21.2732 TIMING: 1569000 CPU: 4901.01, 0.0031198/step Wall: 4901.01, 0.0031198/step, 2.97335 hours remaining, 234.367188 MB of memory in use. ENERGY: 1569000 4044.8239 20471.9002 14473.4606 240.5328 -202707.5667 2497.7184 0.0000 0.0000 52159.9438 -108819.1869 299.7639 -160979.1307 -108457.7738 299.9949 -218.1042 -188.7390 765036.7841 -9.4230 -9.2717 PRESSURE: 1569200 202.926 -32.1006 55.8187 -32.1002 -251.54 -135.243 55.8184 -135.244 9.96247 GPRESSURE: 1569200 200.398 -16.0163 1.70418 -70.6864 -206.57 -188.999 30.2195 -146.46 26.6199 PRESSAVG: 1569200 -4.34482 -24.2803 -64.9832 -24.2802 -4.65881 -3.51213 -64.9832 -3.5122 6.13594 GPRESSAVG: 1569200 -4.294 -24.5843 -64.3331 -25.7165 -4.89581 -5.13357 -63.8486 -3.79637 5.96507 TIMING: 1569200 CPU: 4901.63, 0.0031313/step Wall: 4901.63, 0.0031313/step, 2.98413 hours remaining, 234.367188 MB of memory in use. ENERGY: 1569200 4017.1486 20571.2927 14440.8653 251.8878 -202943.8088 2736.0818 0.0000 0.0000 52095.4762 -108831.0565 299.3934 -160926.5327 -108475.0052 299.8551 -12.8839 6.8162 762441.2425 -0.9559 -1.0749 PRESSURE: 1569400 -403.863 271.909 -168.935 271.909 -125.279 32.2434 -168.936 32.2433 -280.312 GPRESSURE: 1569400 -383.007 218.079 -86.8376 203.622 -72.6541 -14.1611 -186.392 86.8369 -269.005 PRESSAVG: 1569400 24.9054 5.85499 23.761 5.85496 -23.2206 -50.4174 23.761 -50.4174 -29.0528 GPRESSAVG: 1569400 24.6087 6.10268 22.6239 6.72235 -22.6602 -51.2378 21.4154 -49.1465 -29.7353 TIMING: 1569400 CPU: 4902.26, 0.00312246/step Wall: 4902.26, 0.00312246/step, 2.97553 hours remaining, 234.367188 MB of memory in use. ENERGY: 1569400 3972.1742 20501.6610 14403.6758 256.0430 -202798.5723 2463.9878 0.0000 0.0000 52321.6563 -108879.3742 300.6933 -161201.0305 -108511.3730 299.7707 -269.8179 -241.5553 762536.0742 -9.1227 -9.2622 PRESSURE: 1569600 -82.7762 141.137 -233.31 141.137 530.911 -236.22 -233.31 -236.222 53.6347 GPRESSURE: 1569600 -23.8828 194.463 -222.276 83.2411 518.732 -325.269 -252.515 -146.153 81.6365 PRESSAVG: 1569600 -55.4051 18.3631 -46.4702 18.3631 10.171 -3.66692 -46.4703 -3.66694 13.7423 GPRESSAVG: 1569600 -56.7044 19.8387 -47.9524 19.2495 10.9207 -2.8649 -44.1974 -3.64917 14.2232 TIMING: 1569600 CPU: 4902.88, 0.00312195/step Wall: 4902.88, 0.00312195/step, 2.97487 hours remaining, 234.367188 MB of memory in use. ENERGY: 1569600 3984.0731 20381.0536 14388.9776 252.9363 -202780.0163 2537.1605 0.0000 0.0000 52222.8583 -109012.9570 300.1255 -161235.8153 -108653.5205 299.3681 167.2565 192.1618 763933.9338 -10.4973 -10.5201 PRESSURE: 1569800 109.263 34.3039 65.6265 34.3048 -92.5472 -77.6565 65.626 -77.6579 261.706 GPRESSURE: 1569800 170.63 39.4137 6.24666 56.2807 -41.3245 -56.8058 -16.1193 -76.9374 227.839 PRESSAVG: 1569800 38.452 -2.29107 -36.6396 -2.29109 -28.9518 -3.89108 -36.6396 -3.89113 -9.79531 GPRESSAVG: 1569800 39.0853 -3.73668 -36.1268 -2.51322 -29.79 -4.18704 -36.4572 -3.03146 -9.64181 TIMING: 1569800 CPU: 4903.51, 0.00311831/step Wall: 4903.51, 0.00311831/step, 2.97123 hours remaining, 234.367188 MB of memory in use. ENERGY: 1569800 3986.2930 20428.1436 14409.2898 234.0747 -202905.9255 2581.3700 0.0000 0.0000 52199.7681 -109066.9864 299.9928 -161266.7545 -108708.2388 299.6380 92.8073 119.0482 763049.0717 -0.0984 -0.1155 PRESSURE: 1570000 452.691 154.919 21.0754 154.919 -73.3331 59.7865 21.0761 59.7869 256.892 GPRESSURE: 1570000 398.446 137.413 -13.8972 79.7443 28.6887 87.2445 -34.8136 51.0027 290.297 PRESSAVG: 1570000 6.77092 16.6342 39.4898 16.6341 -41.3208 35.7248 39.4898 35.7248 27.6113 GPRESSAVG: 1570000 6.91956 14.1432 39.8593 17.0085 -41.6678 35.3531 39.3668 35.5263 27.144 TIMING: 1570000 CPU: 4904.13, 0.00312071/step Wall: 4904.13, 0.00312071/step, 2.97335 hours remaining, 234.367188 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: 1570000 3907.8365 20368.3751 14444.2147 248.1762 -203342.9012 2934.4366 0.0000 0.0000 52312.1031 -109127.7590 300.6384 -161439.8621 -108759.5790 299.1531 212.0833 239.1438 761257.4415 -2.3129 -2.5347 PRESSURE: 1570200 -41.926 -48.3376 138.772 -48.3381 241.884 232.209 138.773 232.209 -93.4086 GPRESSURE: 1570200 43.452 -46.1907 105.931 -76.481 191.092 338.134 98.1572 124.041 -63.6057 PRESSAVG: 1570200 12.2169 -20.5319 29.3082 -20.5319 22.2929 32.8247 29.3083 32.8247 5.46062 GPRESSAVG: 1570200 12.5345 -17.2209 27.6603 -21.7095 21.8887 34.0286 28.6892 33.6911 5.7342 TIMING: 1570200 CPU: 4904.75, 0.00311472/step Wall: 4904.75, 0.00311472/step, 2.96746 hours remaining, 234.367188 MB of memory in use. ENERGY: 1570200 3995.1727 20485.8912 14376.7468 252.3835 -202853.3924 2688.7941 0.0000 0.0000 51911.1436 -109143.2605 298.3341 -161054.4041 -108799.2105 299.5488 35.5164 56.9793 764462.1746 13.3235 13.3858 PRESSURE: 1570400 -54.4576 195.389 120.839 195.39 2.42176 -30.0598 120.838 -30.0608 119.151 GPRESSURE: 1570400 -53.6655 74.0446 49.9749 174.627 47.5849 11.7482 71.1779 22.5163 179.903 PRESSAVG: 1570400 0.928391 -4.04844 -0.890028 -4.04845 3.24012 12.1115 -0.890026 12.1114 13.4229 GPRESSAVG: 1570400 -0.39951 -5.41774 0.190329 -1.57423 3.97479 11.0131 -1.38627 12.7173 14.2321 TIMING: 1570400 CPU: 4905.38, 0.00311629/step Wall: 4905.38, 0.00311629/step, 2.96878 hours remaining, 234.367188 MB of memory in use. ENERGY: 1570400 3948.0136 20561.0987 14463.8430 262.6687 -203244.8879 2659.9275 0.0000 0.0000 52275.4350 -109073.9015 300.4276 -161349.3365 -108724.2109 299.2829 22.3716 57.9410 763610.2523 5.8638 5.9358 PRESSURE: 1570600 -160.925 -180.207 93.7935 -180.207 104.113 -142.093 93.7941 -142.094 194.029 GPRESSURE: 1570600 -109.127 -65.0833 158.996 -100.829 149.345 -134.083 156.838 -123.897 182.354 PRESSAVG: 1570600 -2.37239 -29.5398 16.456 -29.5398 -5.52757 4.72345 16.456 4.72335 -10.4784 GPRESSAVG: 1570600 -1.34938 -26.8942 17.7747 -31.4891 -5.51419 4.3287 15.2298 5.39122 -11.2921 TIMING: 1570600 CPU: 4906, 0.00312858/step Wall: 4906, 0.00312858/step, 2.98032 hours remaining, 234.367188 MB of memory in use. ENERGY: 1570600 3895.6882 20357.0161 14484.0884 260.6825 -203111.3858 2658.6562 0.0000 0.0000 52400.3187 -109054.9356 301.1454 -161455.2544 -108685.2334 299.5394 45.7390 74.1908 763675.5041 -6.1261 -6.0519 PRESSURE: 1570800 -260.459 -0.959303 120.009 -0.959995 -19.4163 94.0303 120.008 94.0299 5.68703 GPRESSURE: 1570800 -163.489 94.0686 185.004 67.4747 -17.2829 161.599 124.52 14.8451 -10.1304 PRESSAVG: 1570800 -44.1703 44.5494 -17.9611 44.5494 52.429 -25.8605 -17.961 -25.8604 6.63636 GPRESSAVG: 1570800 -43.9941 42.6397 -18.4533 44.5847 53.0934 -25.4819 -17.0022 -27.3431 5.49047 TIMING: 1570800 CPU: 4906.63, 0.00314048/step Wall: 4906.63, 0.00314048/step, 2.99148 hours remaining, 234.367188 MB of memory in use. ENERGY: 1570800 3957.1601 20497.6681 14471.9352 259.2540 -202769.0640 2643.6888 0.0000 0.0000 51969.8417 -108969.5162 298.6714 -160939.3579 -108599.3017 299.7620 -91.3962 -63.6342 764224.4599 4.9650 4.8633 PRESSURE: 1571000 143.673 -147.135 86.2511 -147.134 -110.278 261.373 86.2508 261.373 -239.854 GPRESSURE: 1571000 191.286 -121.439 -2.91233 -38.3286 -48.1114 155.265 111.282 257.361 -258.425 PRESSAVG: 1571000 -27.6244 16.432 24.389 16.432 -1.89279 31.9489 24.389 31.9488 4.02841 GPRESSAVG: 1571000 -26.8257 15.5576 23.9589 16.7778 -3.0677 33.0677 26.1733 30.9267 4.11368 TIMING: 1571000 CPU: 4907.26, 0.00312552/step Wall: 4907.26, 0.00312552/step, 2.97706 hours remaining, 234.367188 MB of memory in use. ENERGY: 1571000 4013.0401 20443.3890 14474.3056 263.1976 -203033.6854 2709.6656 0.0000 0.0000 51954.5073 -109175.5802 298.5833 -161130.0875 -108814.6539 299.0494 -68.8199 -38.4168 764557.7562 -8.4963 -8.5932 PRESSURE: 1571200 160.309 112.835 140.045 112.836 -275.345 169.687 140.046 169.688 -80.1194 GPRESSURE: 1571200 19.9069 122.995 87.5001 84.2871 -144.717 188.07 114.231 287.272 3.32071 PRESSAVG: 1571200 11.9982 42.0432 18.8825 42.0431 -14.2942 45.387 18.8825 45.3869 -27.1967 GPRESSAVG: 1571200 10.2931 43.2345 18.3007 41.6076 -13.3371 43.2298 17.3168 47.1852 -26.1875 TIMING: 1571200 CPU: 4907.88, 0.00313625/step Wall: 4907.88, 0.00313625/step, 2.9871 hours remaining, 234.367188 MB of memory in use. ENERGY: 1571200 3979.6465 20541.0000 14495.4275 269.0567 -203101.1360 2578.1472 0.0000 0.0000 52099.0110 -109138.8471 299.4137 -161237.8581 -108775.6080 299.1764 -65.0516 -40.4963 764169.2265 -9.8309 -9.7438 PRESSURE: 1571400 -213.948 -75.9183 -108.526 -75.918 -19.7077 -50.2554 -108.527 -50.255 2.72915 GPRESSURE: 1571400 -137.805 -123.384 -64.3703 -158.919 -20.3591 -98.8114 -99.9012 113.13 9.19682 PRESSAVG: 1571400 19.8582 -13.0458 -25.1711 -13.0458 -47.5546 -25.1869 -25.1711 -25.1869 18.2672 GPRESSAVG: 1571400 20.0999 -10.7309 -25.0416 -15.7709 -47.6783 -23.2826 -24.4393 -25.3505 17.7608 TIMING: 1571400 CPU: 4908.51, 0.00312104/step Wall: 4908.51, 0.00312103/step, 2.97244 hours remaining, 234.367188 MB of memory in use. ENERGY: 1571400 3928.3017 20687.2351 14412.0906 264.4444 -203038.9079 2684.2189 0.0000 0.0000 52181.6802 -108880.9371 299.8888 -161062.6173 -108531.9026 299.6283 -76.9754 -49.6557 764320.9376 -3.1430 -3.2726 PRESSURE: 1571600 251.309 177.624 298.87 177.623 74.9136 75.1355 298.87 75.1356 -66.1396 GPRESSURE: 1571600 400.23 124.934 265.039 215.983 66.0843 90.8121 268.441 15.0086 -96.8407 PRESSAVG: 1571600 2.66965 -10.9371 -20.4942 -10.937 15.0087 22.3374 -20.4943 22.3375 0.616511 GPRESSAVG: 1571600 2.18792 -12.8777 -20.2949 -8.49856 14.8427 23.6877 -22.9758 21.4 1.71167 TIMING: 1571600 CPU: 4909.13, 0.00312661/step Wall: 4909.13, 0.00312661/step, 2.97758 hours remaining, 234.367188 MB of memory in use. ENERGY: 1571600 4015.6680 20416.7236 14483.9649 245.2121 -203015.8155 2754.0286 0.0000 0.0000 52187.0429 -108913.1754 299.9197 -161100.2183 -108555.3580 300.1038 86.6942 123.1580 763337.5476 6.0983 6.2474 PRESSURE: 1571800 116.095 -138.675 -73.1376 -138.675 -54.6106 112.011 -73.1381 112.01 125.967 GPRESSURE: 1571800 164.281 -130.358 -65.3224 -176.378 13.0664 92.3523 34.0453 35.5651 106.414 PRESSAVG: 1571800 15.6814 -29.8476 1.97671 -29.8476 -69.3899 56.8279 1.97668 56.8279 -5.68476 GPRESSAVG: 1571800 16.1477 -28.4373 2.1249 -31.8949 -68.9803 55.0444 3.3735 57.5227 -6.11328 TIMING: 1571800 CPU: 4909.76, 0.00313371/step Wall: 4909.76, 0.00313371/step, 2.98416 hours remaining, 234.367188 MB of memory in use. ENERGY: 1571800 3990.1886 20393.4558 14487.6978 247.8507 -202975.5208 2779.5912 0.0000 0.0000 52148.3124 -108928.4243 299.6971 -161076.7367 -108575.5240 299.3580 62.4835 94.5871 763516.8600 -19.7978 -19.6486 PRESSURE: 1572000 92.8756 141.99 113.335 141.991 -104.606 55.386 113.336 55.3872 -57.5086 GPRESSURE: 1572000 170.055 48.4708 82.5337 173.765 -80.8446 153.519 103.743 226.173 -50.9716 PRESSAVG: 1572000 -16.4353 -7.54239 39.4456 -7.54239 -30.0206 52.8939 39.4457 52.894 -2.71139 GPRESSAVG: 1572000 -15.4866 -8.70009 38.6878 -6.83913 -30.6017 53.8462 38.9782 52.9067 -3.32193 TIMING: 1572000 CPU: 4910.39, 0.00313157/step Wall: 4910.39, 0.00313157/step, 2.98195 hours remaining, 234.367188 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: 1572000 4040.8055 20423.8169 14424.1347 260.5869 -202929.0929 2804.2846 0.0000 0.0000 52016.8145 -108958.6498 298.9413 -160975.4643 -108600.0396 298.9105 -23.0797 12.7462 763227.0913 -16.3891 -16.4701 PRESSURE: 1572200 163.241 -198.002 54.5722 -198.002 442.327 -26.9474 54.5725 -26.9475 -22.4164 GPRESSURE: 1572200 58.4218 -185.605 25.599 -212.214 551.556 31.9767 132.157 -123.896 74.0006 PRESSAVG: 1572200 18.6342 -29.152 42.6318 -29.152 -26.2526 27.2475 42.6318 27.2475 -27.934 GPRESSAVG: 1572200 18.7918 -30.1389 42.0224 -27.6425 -27.0343 25.3722 44.547 27.0492 -27.0229 TIMING: 1572200 CPU: 4911.01, 0.00312787/step Wall: 4911.01, 0.00312787/step, 2.97825 hours remaining, 234.367188 MB of memory in use. ENERGY: 1572200 3848.9539 20339.8960 14425.5285 229.7631 -202777.9862 2876.4172 0.0000 0.0000 52027.2168 -109030.2106 299.0011 -161057.4275 -108662.6733 299.1323 194.3840 227.9928 761589.9531 -11.8508 -11.7551 LDB: ============= START OF LOAD BALANCING ============== 4923.49 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4923.49 LDB: =============== DONE WITH MIGRATION ================ 4923.49 LDB: ============= START OF LOAD BALANCING ============== 4923.81 LDB: Largest compute 6971 load 0.029014 is 14.9% of average load 0.195118 LDB: Average compute 0.004390 is 2.2% of average load 0.195118 LDB: TIME 4923.81 LOAD: AVG 0.195118 MAX 0.214101 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.906 MB LDB: TIME 4923.81 LOAD: AVG 0.195118 MAX 0.214101 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.91 MB LDB: TIME 4923.81 LOAD: AVG 0.195118 MAX 0.214101 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.91 MB LDB: ============== END OF LOAD BALANCING =============== 4923.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4923.82 PRESSURE: 1572400 86.6208 13.5885 -239.44 13.5885 -125.082 -7.67638 -239.441 -7.67745 137.786 GPRESSURE: 1572400 47.7566 -48.3175 -230.369 6.9271 -62.6976 23.2607 -176.695 63.4829 192.316 PRESSAVG: 1572400 -56.1352 -15.5974 8.3795 -15.5974 20.1382 -1.94373 8.37952 -1.94377 3.61038 GPRESSAVG: 1572400 -56.609 -13.9445 10.0447 -16.9725 21.5416 -1.12761 5.69997 -2.65863 2.43948 TIMING: 1572400 CPU: 4911.65, 0.00320018/step Wall: 4911.65, 0.00320018/step, 3.04693 hours remaining, 234.167969 MB of memory in use. ENERGY: 1572400 4013.7136 20323.6010 14442.0854 260.1562 -202848.5348 2631.3744 0.0000 0.0000 52240.3796 -108937.2246 300.2262 -161177.6042 -108583.7081 299.2959 33.1081 59.1251 762662.5171 -10.7956 -10.8760 PRESSURE: 1572600 205.675 102.082 15.1588 102.082 -19.937 138.557 15.1577 138.556 -46.5243 GPRESSURE: 1572600 169.453 91.4383 81.1617 116.145 121.012 75.9032 17.3688 234.029 -95.7347 PRESSAVG: 1572600 34.148 9.92131 24.0988 9.92136 -50.2171 -0.067485 24.0988 -0.0674986 -10.1664 GPRESSAVG: 1572600 34.4183 10.7799 23.6797 10.1144 -50.5223 0.0991203 27.2017 -0.328225 -10.0214 TIMING: 1572600 CPU: 4912.28, 0.00315151/step Wall: 4912.28, 0.00315151/step, 3.00041 hours remaining, 234.367188 MB of memory in use. ENERGY: 1572600 3996.2085 20561.2365 14536.6965 257.0494 -203301.9190 2713.3611 0.0000 0.0000 52065.6508 -109171.7162 299.2220 -161237.3670 -108810.1473 299.4384 46.4047 64.9099 761652.2980 -8.7452 -8.7085 PRESSURE: 1572800 -12.1307 -76.1517 -167.059 -76.1503 125.465 272.41 -167.06 272.41 489.648 GPRESSURE: 1572800 89.1146 87.1032 -65.3182 -31.8809 76.3717 339.026 -76.3129 227.244 531.121 PRESSAVG: 1572800 37.2887 29.4596 -29.1497 29.4596 -32.1211 75.8819 -29.1497 75.8818 13.6325 GPRESSAVG: 1572800 37.0315 28.4179 -29.301 28.7946 -32.4703 75.8549 -30.3842 77.2441 14.0231 TIMING: 1572800 CPU: 4912.91, 0.00314207/step Wall: 4912.91, 0.00314207/step, 2.99125 hours remaining, 234.367188 MB of memory in use. ENERGY: 1572800 4014.9704 20442.0725 14428.1926 267.0352 -203271.3559 2913.3362 0.0000 0.0000 51903.7296 -109302.0194 298.2914 -161205.7489 -108958.8797 299.0487 200.9940 232.2024 760327.4291 6.2667 6.1948 PRESSURE: 1573000 17.4545 207.082 -155.971 207.083 -22.3556 -74.5208 -155.971 -74.5209 -314.921 GPRESSURE: 1573000 107.117 61.5252 -171.985 196.114 -36.1481 -106.133 -76.487 -150.479 -312.462 PRESSAVG: 1573000 -2.02462 -34.2868 40.1121 -34.2868 -21.8282 37.5337 40.1121 37.5337 3.38746 GPRESSAVG: 1573000 -2.72721 -35.1901 41.2665 -33.9399 -21.7215 36.1108 40.7415 36.2051 5.01081 TIMING: 1573000 CPU: 4913.54, 0.00312938/step Wall: 4913.54, 0.00312938/step, 2.979 hours remaining, 234.367188 MB of memory in use. ENERGY: 1573000 3984.3570 20505.4532 14386.8254 249.3691 -203159.9778 2598.4233 0.0000 0.0000 52389.9767 -109045.5732 301.0859 -161435.5499 -108678.1228 299.4037 -106.6073 -80.4977 761848.5847 -6.8218 -6.4793 PRESSURE: 1573200 154.992 -2.14106 -166.57 -2.14173 -135.912 -6.595 -166.57 -6.59495 344.683 GPRESSURE: 1573200 212.692 -83.3743 -170.282 -8.74393 -34.537 -93.7864 -13.1035 61.4589 272.718 PRESSAVG: 1573200 32.0252 -4.59338 -9.74044 -4.59341 -25.7125 30.0894 -9.74041 30.0893 12.1987 GPRESSAVG: 1573200 32.9201 -4.07827 -9.84679 -3.97057 -25.5319 31.3765 -9.40341 31.1908 10.588 TIMING: 1573200 CPU: 4914.16, 0.00313699/step Wall: 4914.16, 0.00313699/step, 2.98607 hours remaining, 234.367188 MB of memory in use. ENERGY: 1573200 3949.0955 20459.3205 14465.3102 234.0473 -203150.7528 2779.4591 0.0000 0.0000 51996.8239 -109266.6964 298.8265 -161263.5202 -108905.6486 299.0671 121.2543 150.2908 762039.3629 6.1705 5.9921 PRESSURE: 1573400 -39.7146 31.7918 -16.5798 31.7917 -52.7236 7.73812 -16.5803 7.73805 -417.255 GPRESSURE: 1573400 1.00946 71.2195 -56.774 18.5212 -21.1176 92.9743 -118.145 136.92 -419.817 PRESSAVG: 1573400 -70.7685 1.06474 -9.41841 1.06476 -8.39482 -7.50502 -9.41843 -7.50502 -11.7479 GPRESSAVG: 1573400 -71.3437 1.54632 -10.2809 0.731785 -8.01895 -6.64663 -11.3137 -7.10807 -11.486 TIMING: 1573400 CPU: 4914.79, 0.00313247/step Wall: 4914.79, 0.00313247/step, 2.98159 hours remaining, 234.367188 MB of memory in use. ENERGY: 1573400 3943.3758 20499.5223 14428.9806 241.1568 -202958.7585 2560.9277 0.0000 0.0000 52047.9368 -109236.8585 299.1202 -161284.7953 -108869.9960 298.9486 -169.8978 -146.6417 763152.4689 -30.3038 -30.2829 PRESSURE: 1573600 213.057 -261.335 126.243 -261.334 -228.797 28.3862 126.243 28.3852 -312.578 GPRESSURE: 1573600 170.083 -164.366 50.2113 -269.597 -135.79 131.062 177.976 -62.5301 -273.997 PRESSAVG: 1573600 -2.29237 -30.0125 26.6188 -30.0126 10.1286 31.581 26.6188 31.5811 -19.6481 GPRESSAVG: 1573600 -1.76866 -30.7378 26.5559 -29.22 11.2874 30.8074 27.1246 28.3631 -21.2555 TIMING: 1573600 CPU: 4915.42, 0.00314072/step Wall: 4915.42, 0.00314072/step, 2.98926 hours remaining, 234.367188 MB of memory in use. ENERGY: 1573600 3985.5956 20645.4769 14487.8393 255.0171 -203513.4119 2521.5473 0.0000 0.0000 52334.9689 -109282.9667 300.7698 -161617.9356 -108927.5467 299.1882 -109.4394 -79.9013 761266.2177 -3.9373 -3.9122 PRESSURE: 1573800 -207.379 -210.018 96.5642 -210.019 -161.551 -103.644 96.5644 -103.644 141.965 GPRESSURE: 1573800 -130.108 -174.804 79.2294 -136.532 -112.569 -99.2206 78.7175 10.1916 94.5132 PRESSAVG: 1573800 43.9885 -9.88322 62.3098 -9.8832 -13.2291 37.8444 62.3099 37.8444 17.2302 GPRESSAVG: 1573800 44.6971 -9.86983 61.8678 -12.1919 -14.8715 36.8513 63.0294 38.025 17.6096 TIMING: 1573800 CPU: 4916.04, 0.00313206/step Wall: 4916.04, 0.00313206/step, 2.98085 hours remaining, 234.367188 MB of memory in use. ENERGY: 1573800 3938.4278 20311.7351 14414.0986 238.8766 -203462.8721 2979.9307 0.0000 0.0000 52120.3733 -109459.4301 299.5365 -161579.8034 -109091.2355 299.6627 -75.6550 -49.3882 762509.8881 15.9965 15.8117 PRESSURE: 1574000 -52.4449 75.9064 165.996 75.9066 246.162 -247.905 165.996 -247.905 246.506 GPRESSURE: 1574000 31.7213 79.2448 285.774 109.485 254.816 -220.955 62.2631 -233.516 240.342 PRESSAVG: 1574000 7.7398 -47.2246 11.1235 -47.2246 18.6491 27.3057 11.1236 27.3057 4.1837 GPRESSAVG: 1574000 5.6269 -49.324 9.06171 -44.7675 19.0898 27.1599 10.5544 29.5501 5.63491 TIMING: 1574000 CPU: 4916.67, 0.00312459/step Wall: 4916.67, 0.0031246/step, 2.97357 hours remaining, 234.367188 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: 1574000 3971.2993 20537.0673 14396.9017 256.4837 -203531.9939 2903.1581 0.0000 0.0000 52182.6466 -109284.4371 299.8944 -161467.0838 -108915.7344 299.3605 146.7410 175.6263 761495.1806 10.1909 10.1172 PRESSURE: 1574200 -434.139 39.0408 -123.161 39.0394 197.229 113.405 -123.161 113.405 -432.761 GPRESSURE: 1574200 -346.018 -77.3189 -115.145 -31.2101 196.256 118.343 -126.075 110.306 -423.717 PRESSAVG: 1574200 4.37829 29.1316 -33.2789 29.1315 27.7445 23.0353 -33.2789 23.0354 -19.0441 GPRESSAVG: 1574200 5.60216 30.2953 -30.6707 28.3115 27.0063 24.0796 -32.9573 21.5568 -19.3867 TIMING: 1574200 CPU: 4917.29, 0.00312411/step Wall: 4917.29, 0.00312411/step, 2.97294 hours remaining, 234.367188 MB of memory in use. ENERGY: 1574200 3982.0649 20659.5853 14491.1159 243.6388 -203137.0385 2611.5822 0.0000 0.0000 51893.4102 -109255.6411 298.2321 -161149.0513 -108895.3163 300.0143 -223.2238 -191.1595 762989.8348 4.3596 4.4073 PRESSURE: 1574400 -24.9169 -133.918 165.869 -133.917 -263.003 211.326 165.87 211.325 63.9116 GPRESSURE: 1574400 14.6092 -72.1486 152.718 -164.622 -262.544 195.659 178.041 301.609 113.712 PRESSAVG: 1574400 0.565757 20.4084 11.2569 20.4084 -2.54715 39.6583 11.2568 39.6583 16.8034 GPRESSAVG: 1574400 1.6804 18.8611 11.2353 21.8856 -1.81449 36.8847 9.8434 43.1575 15.4649 TIMING: 1574400 CPU: 4917.92, 0.00313144/step Wall: 4917.92, 0.00313144/step, 2.97974 hours remaining, 234.367188 MB of memory in use. ENERGY: 1574400 3943.7883 20482.5393 14375.6052 244.6819 -202898.6560 2626.7981 0.0000 0.0000 51927.8787 -109297.3646 298.4302 -161225.2432 -108928.7825 299.0890 -74.6694 -44.7410 762762.0300 4.9407 5.1103 PRESSURE: 1574600 104.665 -29.8552 56.8852 -29.8553 -154.189 -142.699 56.8854 -142.7 455.794 GPRESSURE: 1574600 94.4506 -157.984 106.818 -68.6659 -84.706 -53.8075 0.0130723 -85.4564 494.474 PRESSAVG: 1574600 -0.856974 34.3683 -7.51389 34.3683 -12.6832 -15.3804 -7.51387 -15.3805 9.58307 GPRESSAVG: 1574600 -2.0398 36.5003 -7.57386 33.3266 -11.942 -11.6465 -6.43439 -18.323 10.4526 TIMING: 1574600 CPU: 4918.54, 0.00312047/step Wall: 4918.54, 0.00312047/step, 2.96912 hours remaining, 234.367188 MB of memory in use. ENERGY: 1574600 3996.9907 20590.3616 14424.2004 234.3315 -203283.4820 2746.7043 0.0000 0.0000 51841.7898 -109449.1038 297.9355 -161290.8936 -109101.7258 298.7835 135.4235 168.0728 762577.2064 -1.3190 -1.1764 PRESSURE: 1574800 109.417 -9.86694 -243.137 -9.86648 88.5818 -161.249 -243.138 -161.25 55.5382 GPRESSURE: 1574800 161.761 -96.4553 -319.498 -63.2272 153.941 -138.363 -172.412 -77.1738 26.5172 PRESSAVG: 1574800 4.88917 54.6668 -12.9432 54.6668 -0.0552216 57.6222 -12.9432 57.6221 4.85747 GPRESSAVG: 1574800 6.71823 55.627 -13.841 54.0969 -0.22825 54.9354 -12.0454 58.4015 3.95444 TIMING: 1574800 CPU: 4919.17, 0.00312599/step Wall: 4919.17, 0.00312599/step, 2.97421 hours remaining, 234.367188 MB of memory in use. ENERGY: 1574800 4001.2999 20448.8489 14420.1842 250.2014 -203389.5034 2667.2990 0.0000 0.0000 52107.2518 -109494.4182 299.4611 -161601.6700 -109135.3930 298.4512 84.5125 114.0730 760498.9545 3.2305 3.4815 PRESSURE: 1575000 314.252 1.5343 -80.4427 1.53373 -354.423 -35.0641 -80.4428 -35.0645 247.05 GPRESSURE: 1575000 184.989 41.9698 -88.0292 -18.5263 -229.326 -20.9638 32.8921 -86.015 323.529 PRESSAVG: 1575000 -15.2289 23.1988 -25.6398 23.1988 -11.0482 -14.3517 -25.6397 -14.3518 -3.55165 GPRESSAVG: 1575000 -17.5559 22.7747 -24.691 22.8309 -10.0359 -13.181 -27.3338 -14.2358 -2.22242 TIMING: 1575000 CPU: 4919.79, 0.00312491/step Wall: 4919.79, 0.00312491/step, 2.973 hours remaining, 234.367188 MB of memory in use. ENERGY: 1575000 3929.1407 20367.7827 14425.0840 255.1411 -203600.4338 2979.5347 0.0000 0.0000 52115.9793 -109527.7713 299.5112 -161643.7506 -109164.4980 298.7743 68.9593 93.0637 761518.5626 -9.9429 -9.9381 PRESSURE: 1575200 -72.0971 46.0622 216.654 46.0617 433.129 -101.355 216.655 -101.356 100.62 GPRESSURE: 1575200 -5.39299 177.733 195.209 -29.8481 350.334 -103.174 119.385 -134.555 188.366 PRESSAVG: 1575200 -1.06199 -1.11533 -39.5955 -1.11531 32.2809 -11.7976 -39.5955 -11.7977 0.490927 GPRESSAVG: 1575200 0.126026 -2.68782 -39.4207 1.04246 31.9461 -10.5854 -39.4261 -12.1781 -0.0481593 TIMING: 1575200 CPU: 4920.42, 0.00311618/step Wall: 4920.42, 0.00311618/step, 2.96452 hours remaining, 234.367188 MB of memory in use. ENERGY: 1575200 3942.7748 20396.0274 14485.7085 255.4495 -203071.2536 2643.0871 0.0000 0.0000 51835.8618 -109512.3444 297.9014 -161348.2063 -109159.2446 298.2496 153.8840 177.7690 763099.2101 10.5699 10.6747 PRESSURE: 1575400 -7.31384 22.0114 -76.1161 22.0106 -372.765 60.48 -76.117 60.4797 -114.089 GPRESSURE: 1575400 -20.2857 26.0402 -42.7708 -105.403 -378.366 8.10832 -54.8378 97.3869 -17.6757 PRESSAVG: 1575400 76.8644 -18.8003 18.7658 -18.8003 -47.9293 -5.48764 18.7659 -5.48766 -25.3271 GPRESSAVG: 1575400 77.6814 -17.3333 17.9573 -19.8102 -48.8334 -7.27421 19.2424 -3.62361 -25.1477 TIMING: 1575400 CPU: 4921.05, 0.00313641/step Wall: 4921.05, 0.00313641/step, 2.9836 hours remaining, 234.367188 MB of memory in use. ENERGY: 1575400 4039.9192 20553.4804 14436.8443 229.8744 -202935.5701 2352.3432 0.0000 0.0000 51972.0240 -109351.0846 298.6839 -161323.1086 -108998.4396 298.1138 -164.7227 -138.7759 764191.7692 1.2027 1.2334 PRESSURE: 1575600 191.939 -8.2528 176.112 -8.25303 146.467 -34.5329 176.113 -34.533 -4.61779 GPRESSURE: 1575600 299.843 -65.0915 208.325 -36.0174 167.538 -49.5397 111.855 200.469 -29.3455 PRESSAVG: 1575600 46.9193 12.8488 12.7357 12.8488 -12.1063 -32.8166 12.7358 -32.8165 -4.05286 GPRESSAVG: 1575600 47.0879 13.7684 14.5218 12.8233 -12.9177 -29.9275 12.6801 -35.5126 -4.43612 TIMING: 1575600 CPU: 4921.67, 0.00314773/step Wall: 4921.67, 0.00314773/step, 2.99419 hours remaining, 234.367188 MB of memory in use. ENERGY: 1575600 3984.1817 20373.0527 14412.3247 264.5038 -203398.9911 2976.0895 0.0000 0.0000 52143.2152 -109245.6235 299.6678 -161388.8387 -108885.1930 298.9789 111.2628 146.0118 762472.5963 10.2534 9.9114 PRESSURE: 1575800 -50.3166 194.882 62.0627 194.882 -307.888 -43.5912 62.0619 -43.5923 -131.026 GPRESSURE: 1575800 27.8036 73.8764 17.1671 207.869 -337.67 -87.1464 -55.0493 -6.54113 -108.156 PRESSAVG: 1575800 -6.06882 4.85713 21.0671 4.85711 -13.2546 -41.0977 21.0671 -41.0978 -9.73878 GPRESSAVG: 1575800 -7.1946 4.94257 20.4179 4.7736 -11.8556 -43.4711 20.3617 -39.6971 -9.95806 TIMING: 1575800 CPU: 4922.3, 0.00313493/step Wall: 4922.3, 0.00313493/step, 2.98184 hours remaining, 234.367188 MB of memory in use. ENERGY: 1575800 3916.8890 20435.8845 14422.0518 239.9126 -202962.6992 2387.8863 0.0000 0.0000 52273.8737 -109286.2014 300.4187 -161560.0751 -108914.4537 298.8792 -163.0769 -139.3407 763206.3644 -9.6874 -9.6694 PRESSURE: 1576000 289.933 -156.753 197.475 -156.753 197.64 268.177 197.476 268.176 250.359 GPRESSURE: 1576000 293.912 -96.6213 140.52 -137.931 234.564 325.211 253.766 120.919 285.441 PRESSAVG: 1576000 54.3055 12.1256 14.7362 12.1256 -54.1032 -38.3171 14.7362 -38.3172 13.6195 GPRESSAVG: 1576000 54.9412 12.1346 13.9265 10.7337 -55.458 -38.3987 14.8772 -38.2008 14.5785 TIMING: 1576000 CPU: 4922.93, 0.00313982/step Wall: 4922.93, 0.00313982/step, 2.98632 hours remaining, 234.367188 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: 1576000 4055.2944 20558.2786 14421.3637 248.8299 -203339.5909 2824.2151 0.0000 0.0000 52012.8372 -109218.7721 298.9185 -161231.6092 -108865.2136 299.1598 245.9774 271.3056 761148.7019 4.6073 4.6872 PRESSURE: 1576200 -55.5157 34.4752 -87.8713 34.4749 78.8121 252.996 -87.8712 252.995 -132.28 GPRESSURE: 1576200 -103.869 35.9486 -124.881 -105.995 130.216 248.364 -66.6976 209.542 -76.8565 PRESSAVG: 1576200 10.2928 18.5866 -7.30472 18.5866 19.2796 9.41758 -7.30464 9.41759 -17.1503 GPRESSAVG: 1576200 8.89497 17.1961 -5.76132 19.7823 20.9975 10.482 -5.39486 8.7099 -17.2 TIMING: 1576200 CPU: 4923.56, 0.00313957/step Wall: 4923.56, 0.00313957/step, 2.98591 hours remaining, 234.367188 MB of memory in use. ENERGY: 1576200 4041.0532 20413.2424 14424.4798 240.7123 -203291.3020 2651.3405 0.0000 0.0000 52225.2979 -109295.1759 300.1395 -161520.4737 -108927.6566 299.4995 -36.3277 -16.8367 761528.1704 4.1407 4.2308 LDB: ============= START OF LOAD BALANCING ============== 4936.04 LDB: ============== END OF LOAD BALANCING =============== 4936.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4936.04 LDB: ============= START OF LOAD BALANCING ============== 4936.35 LDB: Largest compute 6971 load 0.028326 is 14.5% of average load 0.195117 LDB: Average compute 0.004399 is 2.3% of average load 0.195117 LDB: TIME 4936.36 LOAD: AVG 0.195117 MAX 0.214443 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.395 MB LDB: TIME 4936.36 LOAD: AVG 0.195117 MAX 0.214443 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.598 MB LDB: TIME 4936.36 LOAD: AVG 0.195117 MAX 0.214443 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.598 MB LDB: ============== END OF LOAD BALANCING =============== 4936.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4936.37 PRESSURE: 1576400 109.064 111.312 82.0292 111.313 116.542 43.2519 82.0279 43.252 -104.037 GPRESSURE: 1576400 229.427 35.6559 -3.96552 21.4244 24.3717 45.531 0.710291 18.1157 -48.2831 PRESSAVG: 1576400 15.4835 1.3036 -51.664 1.3036 -27.5049 37.6686 -51.664 37.6687 5.05427 GPRESSAVG: 1576400 16.9506 2.3422 -52.0605 2.16437 -28.7813 34.5016 -52.1623 38.4183 4.96511 TIMING: 1576400 CPU: 4924.2, 0.0032106/step Wall: 4924.2, 0.0032106/step, 3.05328 hours remaining, 233.742188 MB of memory in use. ENERGY: 1576400 4052.6716 20502.8451 14387.8831 231.8450 -203165.6237 2656.0114 0.0000 0.0000 52231.5069 -109102.8606 300.1752 -161334.3675 -108739.9803 299.2565 40.5226 68.5051 761433.0765 -2.3224 -2.2885 PRESSURE: 1576600 139.132 -19.9117 57.9969 -19.9114 146.343 95.9662 57.9971 95.9665 10.0074 GPRESSURE: 1576600 226.431 -45.2057 31.127 -57.1161 96.0239 170.493 29.0259 55.5089 72.8717 PRESSAVG: 1576600 59.9528 26.6494 16.4134 26.6494 -40.1494 -1.13855 16.4134 -1.13857 14.6571 GPRESSAVG: 1576600 60.5745 26.9469 17.0805 24.5692 -40.3358 1.52556 15.0874 -2.25861 14.0674 TIMING: 1576600 CPU: 4924.83, 0.00313753/step Wall: 4924.83, 0.00313753/step, 2.98362 hours remaining, 233.945312 MB of memory in use. ENERGY: 1576600 3923.3528 20320.8345 14445.8395 238.3578 -203066.8509 2502.7659 0.0000 0.0000 52419.4471 -109216.2533 301.2553 -161635.7004 -108836.9407 299.2459 98.4942 131.7755 761565.2936 11.4868 11.4354 PRESSURE: 1576800 -195.969 -135.193 -204.774 -135.193 -144.545 -273.179 -204.774 -273.179 69.4845 GPRESSURE: 1576800 -269.579 -215.664 -190.149 -145.362 5.4889 -194.692 -249.729 -260.09 88.2419 PRESSAVG: 1576800 26.1025 -20.4899 -28.9102 -20.4899 -53.9835 -3.2524 -28.9102 -3.25232 -3.58224 GPRESSAVG: 1576800 25.1004 -21.0722 -31.7031 -20.9491 -53.2259 -2.36705 -29.1473 -1.59047 -3.4821 TIMING: 1576800 CPU: 4925.45, 0.00313921/step Wall: 4925.45, 0.00313921/step, 2.98504 hours remaining, 233.945312 MB of memory in use. ENERGY: 1576800 3982.3117 20503.9093 14446.5077 253.4121 -203271.9975 2787.9837 0.0000 0.0000 51939.4471 -109358.4260 298.4967 -161297.8731 -109002.5868 298.8522 -90.3431 -58.6160 763694.3384 -10.4878 -10.5359 PRESSURE: 1577000 59.8751 25.672 107.797 25.6707 -278.645 -130.269 107.797 -130.269 382.849 GPRESSURE: 1577000 70.7839 157.995 157.213 -39.5351 -260.695 -152.485 230.215 -75.3145 447.172 PRESSAVG: 1577000 -23.269 51.2608 30.409 51.2607 -0.979948 -5.57344 30.4091 -5.57342 -2.20963 GPRESSAVG: 1577000 -22.6771 52.1678 30.4227 51.9399 -1.96099 -6.06116 33.6484 -5.63182 -2.01052 TIMING: 1577000 CPU: 4926.08, 0.00314049/step Wall: 4926.08, 0.00314049/step, 2.98608 hours remaining, 233.945312 MB of memory in use. ENERGY: 1577000 3964.9946 20539.4812 14358.1310 253.2339 -203384.8968 2997.7965 0.0000 0.0000 52016.0411 -109255.2184 298.9369 -161271.2595 -108901.8570 298.9833 54.6930 85.7537 763375.5171 -8.8195 -8.8829 PRESSURE: 1577200 -320.286 -53.4767 162.369 -53.4762 -220.454 131.004 162.368 131.003 -122.579 GPRESSURE: 1577200 -325.705 -59.9543 145.191 -19.2921 -179.332 115.17 127.291 19.0489 -100.443 PRESSAVG: 1577200 -77.6402 -1.76548 -32.2128 -1.7655 54.6051 -4.16018 -32.2128 -4.16013 -37.5818 GPRESSAVG: 1577200 -77.9701 -3.26309 -31.0513 0.64251 55.0857 -3.58428 -36.3839 -5.85793 -37.7137 TIMING: 1577200 CPU: 4926.71, 0.00313865/step Wall: 4926.71, 0.00313865/step, 2.98415 hours remaining, 233.945312 MB of memory in use. ENERGY: 1577200 4023.0932 20528.6416 14380.9952 244.6605 -203236.3576 2633.4971 0.0000 0.0000 51957.4307 -109468.0393 298.6001 -161425.4700 -109107.0537 298.2980 -221.1064 -201.8266 762986.5914 -20.2056 -20.1994 PRESSURE: 1577400 -283.386 -186.267 -169.829 -186.267 127.011 -125.749 -169.828 -125.749 267.431 GPRESSURE: 1577400 -207.256 -156.104 -153.149 -200.386 202.001 -202.205 -143.023 -18.6028 186.945 PRESSAVG: 1577400 18.792 -36.6754 -5.62154 -36.6754 1.37589 15.577 -5.62154 15.5772 -6.0861 GPRESSAVG: 1577400 18.5525 -37.0424 -5.13062 -38.0325 1.64024 14.86 -3.7676 16.9524 -5.73299 TIMING: 1577400 CPU: 4927.34, 0.00315205/step Wall: 4927.34, 0.00315205/step, 2.99672 hours remaining, 233.945312 MB of memory in use. ENERGY: 1577400 3927.5842 20497.9335 14395.3042 239.9342 -203136.6693 2845.2369 0.0000 0.0000 51737.2777 -109493.3988 297.3348 -161230.6764 -109141.7979 298.3452 37.0186 60.5633 765423.8964 4.6939 4.8199 PRESSURE: 1577600 -73.3261 198.646 -110.969 198.646 -81.1714 -9.75193 -110.969 -9.75132 -290.366 GPRESSURE: 1577600 -101.81 137.153 -81.0442 174.171 -14.0165 -21.6731 81.7562 54.812 -274.792 PRESSAVG: 1577600 -24.2554 -53.1861 35.5842 -53.1861 10.0034 -4.20531 35.5843 -4.20534 19.2094 GPRESSAVG: 1577600 -23.7956 -51.4402 35.8791 -53.4761 10.2161 -4.93682 36.8341 -2.85625 18.8399 TIMING: 1577600 CPU: 4927.97, 0.00316214/step Wall: 4927.97, 0.00316214/step, 3.00614 hours remaining, 233.945312 MB of memory in use. ENERGY: 1577600 3872.8351 20470.9009 14383.8373 232.3938 -203229.8118 2593.1790 0.0000 0.0000 52055.5875 -109621.0784 299.1642 -161676.6658 -109250.7778 297.9959 -148.2877 -130.2060 762746.1796 1.6524 1.7535 PRESSURE: 1577800 -272.497 45.8044 69.1459 45.8043 7.42098 -199.173 69.146 -199.173 -138.847 GPRESSURE: 1577800 -220.819 -29.4501 69.5088 29.1965 -39.7343 -205.963 131.744 -288.035 -43.061 PRESSAVG: 1577800 -0.297967 30.7614 -4.04779 30.7615 22.718 -37.809 -4.04778 -37.809 0.902399 GPRESSAVG: 1577800 0.312915 32.7683 -5.38546 30.812 21.0819 -38.2111 -4.22234 -40.3614 1.90483 TIMING: 1577800 CPU: 4928.6, 0.00313467/step Wall: 4928.6, 0.00313467/step, 2.97985 hours remaining, 233.945312 MB of memory in use. ENERGY: 1577800 4054.2697 20332.5230 14468.2288 253.4406 -203435.0620 2745.3595 0.0000 0.0000 52018.4097 -109562.8306 298.9505 -161581.2403 -109197.9199 298.4017 -134.6410 -101.2048 762567.4197 7.7741 7.7666 PRESSURE: 1578000 -354.475 180.179 -31.8441 180.179 -346.045 -96.6805 -31.8434 -96.6822 -296.241 GPRESSURE: 1578000 -352.105 187.412 39.0149 86.6932 -218.558 16.5283 -280.992 -71.5143 -336.649 PRESSAVG: 1578000 -16.8261 -12.309 -46.3042 -12.3091 2.10482 -39.4735 -46.3042 -39.4735 -9.59474 GPRESSAVG: 1578000 -17.3716 -15.0619 -45.6053 -9.95317 3.22869 -39.6817 -47.8643 -37.834 -10.3564 TIMING: 1578000 CPU: 4929.23, 0.00313726/step Wall: 4929.23, 0.00313726/step, 2.98214 hours remaining, 233.945312 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: 1578000 3997.9055 20326.5085 14441.7203 247.2295 -203313.2173 2737.6444 0.0000 0.0000 52055.4378 -109506.7711 299.1633 -161562.2090 -109146.9164 298.7346 -332.2538 -302.4376 763614.7652 -8.1053 -8.1664 PRESSURE: 1578200 -165.842 -16.1866 26.3858 -16.1868 22.4957 192.147 26.3862 192.147 -464.755 GPRESSURE: 1578200 -55.667 -15.87 133.976 78.2472 4.65218 237.634 15.0768 165.605 -457.822 PRESSAVG: 1578200 -4.14557 44.5488 -58.046 44.5488 43.2416 60.2375 -58.046 60.2374 1.39644 GPRESSAVG: 1578200 -4.76882 45.7436 -58.1442 43.9764 43.6795 61.9746 -56.3867 57.8635 1.79797 TIMING: 1578200 CPU: 4929.85, 0.00310551/step Wall: 4929.85, 0.00310551/step, 2.95179 hours remaining, 233.945312 MB of memory in use. ENERGY: 1578200 4024.0611 20326.1852 14445.5751 240.8508 -203172.5095 2542.3243 0.0000 0.0000 52098.4769 -109495.0361 299.4107 -161593.5130 -109138.9341 298.8137 -202.7006 -169.6123 762066.6232 13.4975 13.5695 PRESSURE: 1578400 32.3392 71.2841 -71.4771 71.2834 -500.896 -309.701 -71.4774 -309.702 103.885 GPRESSURE: 1578400 -25.6532 37.4958 -80.3833 85.5499 -358.499 -229.566 -139.437 -272.313 103.309 PRESSAVG: 1578400 -2.61728 40.5759 -35.0603 40.5758 13.1779 53.1516 -35.0602 53.1516 21.2761 GPRESSAVG: 1578400 -2.91203 38.228 -34.7194 38.9795 13.6537 52.2987 -35.463 54.8034 20.6826 TIMING: 1578400 CPU: 4930.47, 0.00311212/step Wall: 4930.47, 0.00311212/step, 2.95789 hours remaining, 233.945312 MB of memory in use. ENERGY: 1578400 4034.2303 20556.6309 14443.5022 234.5270 -203486.6820 2815.5205 0.0000 0.0000 51805.0293 -109597.2417 297.7242 -161402.2710 -109234.0603 298.3730 -121.5572 -93.6143 762375.9825 10.6122 10.4747 PRESSURE: 1578600 -250.196 119.107 53.7375 119.107 -713.763 -82.0621 53.7383 -82.063 -383.677 GPRESSURE: 1578600 -228.335 -47.0492 59.0719 136.62 -643.504 -84.0191 22.4178 -102.675 -398.351 PRESSAVG: 1578600 38.1621 -2.52572 28.6907 -2.5258 -70.1304 36.2651 28.6908 36.2651 -12.8994 GPRESSAVG: 1578600 37.8804 -0.728324 29.1806 -1.94683 -70.944 35.2642 27.1778 37.201 -12.1847 TIMING: 1578600 CPU: 4931.1, 0.00312382/step Wall: 4931.1, 0.00312382/step, 2.96884 hours remaining, 233.945312 MB of memory in use. ENERGY: 1578600 3996.4483 20522.8536 14448.5483 241.8864 -202917.9427 2296.9560 0.0000 0.0000 51860.7157 -109550.5344 298.0442 -161411.2501 -109189.3745 298.3939 -449.2120 -423.3966 762725.8911 -14.9559 -15.0828 PRESSURE: 1578800 65.0971 -38.8945 -69.5838 -38.8929 -360.871 -128.246 -69.584 -128.246 -226.441 GPRESSURE: 1578800 90.9789 -64.3526 -47.3903 -97.416 -366.268 -75.7113 -144.131 -74.858 -169.7 PRESSAVG: 1578800 9.78596 -19.4169 42.0102 -19.4168 -39.6888 43.5191 42.0101 43.519 19.9944 GPRESSAVG: 1578800 10.0402 -18.7464 39.3865 -19.6678 -39.9305 45.4217 44.1817 42.2084 20.0071 TIMING: 1578800 CPU: 4931.72, 0.00312507/step Wall: 4931.72, 0.00312507/step, 2.96986 hours remaining, 233.945312 MB of memory in use. ENERGY: 1578800 3969.5578 20450.9936 14365.5481 247.4753 -203092.9301 2606.4505 0.0000 0.0000 51915.6375 -109537.2673 298.3599 -161452.9048 -109172.8700 298.2402 -174.0715 -148.3296 762279.5224 -3.3028 -3.2944 PRESSURE: 1579000 -225.741 -35.2035 84.8646 -35.2033 -240.278 91.8636 84.8657 91.863 104.855 GPRESSURE: 1579000 -283.253 -147.047 93.0085 73.0499 -200.031 35.5375 25.4341 52.0505 220.46 PRESSAVG: 1579000 -30.6572 -22.7339 26.7465 -22.7338 -26.5286 32.154 26.7466 32.154 -20.8903 GPRESSAVG: 1579000 -30.7312 -24.0378 26.8316 -20.8155 -26.4605 30.4703 26.9339 31.6553 -20.7754 TIMING: 1579000 CPU: 4932.34, 0.00311807/step Wall: 4932.34, 0.00311807/step, 2.96303 hours remaining, 233.945312 MB of memory in use. ENERGY: 1579000 4027.0947 20583.1175 14370.8585 247.2576 -203616.8880 2789.9021 0.0000 0.0000 51896.8007 -109701.8569 298.2516 -161598.6576 -109352.0461 298.4212 -120.3881 -87.6081 761278.7556 -26.0254 -25.9890 PRESSURE: 1579200 5.42915 -78.7675 152.183 -78.767 69.9237 -86.3253 152.183 -86.3254 522.93 GPRESSURE: 1579200 93.8107 21.1217 112.05 -54.312 44.9085 -38.702 138.75 -83.1312 553.873 PRESSAVG: 1579200 13.218 18.0555 -28.7959 18.0556 -2.97894 8.13037 -28.7959 8.13033 4.84145 GPRESSAVG: 1579200 13.4095 20.5555 -27.2376 17.8216 -2.88183 8.53602 -30.888 7.95357 4.35139 TIMING: 1579200 CPU: 4932.97, 0.00311111/step Wall: 4932.97, 0.00311111/step, 2.95625 hours remaining, 233.945312 MB of memory in use. ENERGY: 1579200 4001.7242 20384.8667 14408.4118 254.4754 -203464.8202 2822.3470 0.0000 0.0000 52046.7668 -109546.2282 299.1135 -161592.9950 -109188.3756 298.7152 199.4278 230.8641 760776.7762 5.0268 4.9597 PRESSURE: 1579400 306.82 13.2001 290.543 13.2008 35.663 18.6144 290.543 18.6137 -15.9051 GPRESSURE: 1579400 374.539 7.88543 276.408 23.6375 67.5111 17.2425 133.194 -43.9184 -18.1119 PRESSAVG: 1579400 30.6141 36.2005 38.6904 36.2005 -15.903 14.1212 38.6904 14.1213 15.1954 GPRESSAVG: 1579400 31.0002 36.9242 39.2549 37.7224 -16.7352 13.9417 39.9075 13.8684 15.4203 TIMING: 1579400 CPU: 4933.59, 0.00311335/step Wall: 4933.59, 0.00311335/step, 2.9582 hours remaining, 233.945312 MB of memory in use. ENERGY: 1579400 4013.0552 20558.4675 14424.4725 250.8885 -203671.2381 3202.4846 0.0000 0.0000 51888.3011 -109333.5688 298.2028 -161221.8699 -108977.2475 298.5710 108.8592 141.3129 762779.0576 9.9689 9.8951 PRESSURE: 1579600 -65.7885 -59.4057 -103.81 -59.4056 -88.2557 -61.7449 -103.81 -61.7449 21.3387 GPRESSURE: 1579600 -102.488 13.9143 -23.539 -48.0202 58.6765 -14.1525 -134.45 48.4548 2.28752 PRESSAVG: 1579600 37.0371 -3.75613 53.2377 -3.7561 8.26682 20.0534 53.2377 20.0534 -16.0167 GPRESSAVG: 1579600 36.5893 -5.1572 52.3547 -4.24362 8.73165 21.0953 51.9621 21.1257 -16.1888 TIMING: 1579600 CPU: 4934.21, 0.00311448/step Wall: 4934.21, 0.00311448/step, 2.9591 hours remaining, 233.945312 MB of memory in use. ENERGY: 1579600 4099.4000 20534.2141 14431.7895 254.3907 -203381.8455 2732.8108 0.0000 0.0000 51989.5144 -109339.7260 298.7845 -161329.2404 -108976.7969 299.0742 -44.2351 -13.8413 763706.2532 9.7624 9.7107 PRESSURE: 1579800 -71.0304 -13.4227 52.2544 -13.4224 -4.96445 85.6008 52.2544 85.6001 96.0946 GPRESSURE: 1579800 6.80273 -29.4486 98.3943 6.77206 56.1089 78.8594 39.8053 17.3101 30.8247 PRESSAVG: 1579800 41.0687 32.2107 -21.9942 32.2108 -17.7674 -16.9882 -21.9943 -16.9882 2.57031 GPRESSAVG: 1579800 40.4592 31.7926 -21.7692 31.3081 -17.2031 -18.4168 -20.5997 -16.0295 2.59312 TIMING: 1579800 CPU: 4934.84, 0.00312334/step Wall: 4934.84, 0.00312334/step, 2.96734 hours remaining, 233.945312 MB of memory in use. ENERGY: 1579800 3922.1269 20395.9093 14428.7046 232.7602 -203088.7887 2836.3432 0.0000 0.0000 51806.8921 -109466.0525 297.7349 -161272.9446 -109098.1625 298.4146 6.6999 31.2454 763901.1306 8.6239 8.6164 PRESSURE: 1580000 -49.5389 72.9227 -43.1903 72.9224 -14.5438 -91.2383 -43.1895 -91.2379 351.647 GPRESSURE: 1580000 -44.9436 85.7377 77.5653 184.827 50.8073 -17.8427 -34.0559 -32.2243 360.497 PRESSAVG: 1580000 -16.3968 4.75519 -12.7049 4.75518 -38.9803 -30.6984 -12.7049 -30.6984 11.6396 GPRESSAVG: 1580000 -16.0257 4.10791 -12.4107 4.91344 -39.9009 -30.3991 -11.9521 -30.729 11.5442 TIMING: 1580000 CPU: 4935.46, 0.00311815/step Wall: 4935.46, 0.00311815/step, 2.96224 hours remaining, 233.945312 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: 1580000 3972.9489 20428.5503 14399.2311 262.0454 -203444.1222 3082.1870 0.0000 0.0000 51934.5660 -109364.5935 298.4687 -161299.1595 -109012.9343 298.4261 95.8547 122.1201 765409.0546 -14.5792 -14.7941 PRESSURE: 1580200 147.38 -150.568 -93.5072 -150.568 -0.231382 -233.055 -93.5074 -233.055 159.687 GPRESSURE: 1580200 80.211 -80.5362 -93.5222 -168.574 199.093 -321.527 -119.903 -231.851 116.041 PRESSAVG: 1580200 13.5443 48.3771 -4.36169 48.3771 -13.1222 -13.7435 -4.3617 -13.7435 -21.6133 GPRESSAVG: 1580200 12.4839 48.0555 -4.27626 47.7596 -12.3365 -15.7092 -5.85405 -15.5547 -21.9913 TIMING: 1580200 CPU: 4936.08, 0.0031166/step Wall: 4936.08, 0.0031166/step, 2.96059 hours remaining, 233.945312 MB of memory in use. ENERGY: 1580200 3973.0953 20404.7195 14466.8864 241.4150 -203497.8030 2894.3092 0.0000 0.0000 51883.0768 -109634.3007 298.1728 -161517.3776 -109284.7712 298.2885 102.2784 131.7819 761289.7794 -7.0637 -7.2813 LDB: ============= START OF LOAD BALANCING ============== 4948.56 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4948.56 LDB: =============== DONE WITH MIGRATION ================ 4948.56 LDB: ============= START OF LOAD BALANCING ============== 4948.87 LDB: Largest compute 6988 load 0.030834 is 15.8% of average load 0.195122 LDB: Average compute 0.004407 is 2.3% of average load 0.195122 LDB: TIME 4948.88 LOAD: AVG 0.195122 MAX 0.216438 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.676 MB LDB: TIME 4948.88 LOAD: AVG 0.195122 MAX 0.216438 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.676 MB LDB: TIME 4948.88 LOAD: AVG 0.195122 MAX 0.216438 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.676 MB LDB: ============== END OF LOAD BALANCING =============== 4948.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4948.89 PRESSURE: 1580400 69.9389 148.009 -51.9779 148.009 -33.278 -109.812 -51.9779 -109.814 -84.5123 GPRESSURE: 1580400 69.6227 79.6654 -41.9202 208.461 -39.5056 -32.7905 58.416 -144.353 -2.01921 PRESSAVG: 1580400 18.8335 49.484 -19.6673 49.484 -15.8526 -23.4057 -19.6672 -23.4057 17.2399 GPRESSAVG: 1580400 19.5748 49.9878 -21.0667 49.1449 -17.7251 -22.2856 -19.1701 -23.325 17.7513 TIMING: 1580400 CPU: 4936.72, 0.00317784/step Wall: 4936.72, 0.00317784/step, 3.0186 hours remaining, 234.699219 MB of memory in use. ENERGY: 1580400 4009.4135 20605.7886 14415.3877 247.5214 -203938.5239 3166.0390 0.0000 0.0000 51857.2298 -109637.1440 298.0242 -161494.3738 -109280.9315 298.4055 -15.9504 9.3660 762691.9519 6.7403 6.5337 PRESSURE: 1580600 106.946 -49.5162 76.8057 -49.5165 -298.29 -298.245 76.8059 -298.243 166.729 GPRESSURE: 1580600 88.4594 -40.7964 36.3441 -60.848 -163.034 -185.79 45.0835 -151.412 130.652 PRESSAVG: 1580600 38.4287 34.3336 28.4739 34.3337 -15.1158 -16.3611 28.4739 -16.3611 0.884778 GPRESSAVG: 1580600 39.1099 32.9559 30.1206 36.4442 -14.979 -15.2824 28.884 -17.5356 0.719431 TIMING: 1580600 CPU: 4937.34, 0.00311875/step Wall: 4937.34, 0.00311875/step, 2.9623 hours remaining, 234.699219 MB of memory in use. ENERGY: 1580600 3995.0327 20506.7196 14380.8211 219.4779 -203387.7143 2676.0622 0.0000 0.0000 51900.6311 -109708.9697 298.2736 -161609.6007 -109346.3166 297.9313 -8.2052 18.6926 762869.4020 8.0659 8.2834 PRESSURE: 1580800 -62.766 186.441 -104.449 186.442 -135.462 -249.752 -104.448 -249.753 -199.384 GPRESSURE: 1580800 14.8391 103.781 -62.7872 10.7603 -144.998 -132.207 -46.0758 -297.061 -185.79 PRESSAVG: 1580800 37.2281 33.3893 -38.0106 33.3894 -46.0656 -62.5945 -38.0105 -62.5946 0.347302 GPRESSAVG: 1580800 36.497 34.875 -39.9778 29.6122 -44.495 -62.9956 -38.1821 -62.1326 -0.633951 TIMING: 1580800 CPU: 4937.97, 0.00312793/step Wall: 4937.97, 0.00312793/step, 2.97084 hours remaining, 234.699219 MB of memory in use. ENERGY: 1580800 3984.8781 20457.5521 14422.9372 254.0646 -203476.9949 2799.9260 0.0000 0.0000 51802.2802 -109755.3566 297.7084 -161557.6368 -109395.7224 298.5176 -132.5373 -105.3164 764370.4324 -2.8300 -2.8773 PRESSURE: 1581000 185.952 0.258323 -117.734 0.258388 257.958 -18.2214 -117.735 -18.2203 107.482 GPRESSURE: 1581000 250.179 -51.4872 -179.358 26.4489 281.211 14.8019 -42.2759 -97.7778 104.139 PRESSAVG: 1581000 -5.03959 15.8045 6.53621 15.8046 -5.72772 -26.5794 6.53622 -26.5794 -4.07366 GPRESSAVG: 1581000 -3.41734 16.1374 6.88353 17.4415 -8.16887 -25.5291 5.51952 -28.448 -2.86611 TIMING: 1581000 CPU: 4938.59, 0.00311067/step Wall: 4938.59, 0.00311066/step, 2.95427 hours remaining, 234.699219 MB of memory in use. ENERGY: 1581000 4003.2929 20354.1535 14467.7931 242.2120 -203854.7440 3213.4741 0.0000 0.0000 51801.4799 -109772.3386 297.7038 -161573.8184 -109408.3269 298.5936 183.7973 211.8432 761372.9895 -4.9470 -4.8174 PRESSURE: 1581200 77.6048 43.7901 23.1435 43.7892 58.1305 -155.914 23.1437 -155.915 -56.0085 GPRESSURE: 1581200 150.131 -47.2375 2.63759 -121.279 51.4411 -137.333 78.9145 -269.066 -41.7462 PRESSAVG: 1581200 -5.10288 36.8294 51.3967 36.8294 -51.3755 -21.327 51.3966 -21.3269 -2.16055 GPRESSAVG: 1581200 -5.91482 36.3885 53.208 34.5995 -51.0187 -22.1795 49.8544 -19.251 -2.09093 TIMING: 1581200 CPU: 4939.22, 0.00311936/step Wall: 4939.22, 0.00311936/step, 2.96235 hours remaining, 234.699219 MB of memory in use. ENERGY: 1581200 4006.1196 20483.6364 14411.4100 240.5132 -203513.0769 2862.5382 0.0000 0.0000 51983.3739 -109525.4857 298.7492 -161508.8595 -109171.5318 298.1555 26.5756 53.2754 762581.2363 -19.5463 -19.6748 PRESSURE: 1581400 89.7277 157.644 -213.985 157.644 -264.304 95.2594 -213.985 95.2595 -243.122 GPRESSURE: 1581400 38.9068 236.079 -199.523 253.113 -212.493 130.376 -339.716 217.058 -136.69 PRESSAVG: 1581400 59.9426 -44.8368 2.58536 -44.8367 -49.0107 -36.0039 2.5854 -36.0039 3.6035 GPRESSAVG: 1581400 60.2331 -45.1056 0.925912 -44.1975 -49.4139 -37.9195 4.87184 -35.2004 4.40349 TIMING: 1581400 CPU: 4939.84, 0.00311656/step Wall: 4939.84, 0.00311656/step, 2.95952 hours remaining, 234.699219 MB of memory in use. ENERGY: 1581400 4018.4449 20507.5844 14489.6346 237.4364 -203851.5575 2981.3150 0.0000 0.0000 52086.0740 -109531.0683 299.3394 -161617.1423 -109166.4429 298.8794 -139.2328 -103.4255 762691.4764 4.8451 5.0742 PRESSURE: 1581600 166.841 -1.75502 52.814 -1.75434 -43.9884 123.201 52.8142 123.201 -125.804 GPRESSURE: 1581600 114.549 21.0457 117.373 1.49969 53.57 -1.30983 59.7984 139.909 -88.5903 PRESSAVG: 1581600 40.8594 10.7638 -9.95232 10.7638 -57.5214 49.0114 -9.95227 49.0113 1.03576 GPRESSAVG: 1581600 40.9674 10.9438 -10.1309 11.363 -57.2787 51.3459 -11.9044 47.3425 0.287002 TIMING: 1581600 CPU: 4940.46, 0.00311706/step Wall: 4940.46, 0.00311706/step, 2.95982 hours remaining, 234.699219 MB of memory in use. ENERGY: 1581600 4020.9940 20369.8179 14426.5199 244.6527 -203751.2381 3038.0693 0.0000 0.0000 51932.1048 -109719.0795 298.4545 -161651.1843 -109360.2103 297.8980 -0.9838 26.5096 763119.1222 -5.2087 -5.3414 PRESSURE: 1581800 -14.51 -250.089 26.7618 -250.089 -103.029 67.817 26.7634 67.8167 -574.086 GPRESSURE: 1581800 -14.8666 -268.277 15.6459 -171.746 -27.5532 169.561 -99.7553 -57.1132 -541.648 PRESSAVG: 1581800 -0.478692 18.295 -9.02413 18.295 -34.3199 39.7155 -9.02405 39.7154 8.10222 GPRESSAVG: 1581800 0.969484 18.8396 -8.23497 19.2864 -34.2511 39.0478 -8.73857 39.4552 7.29393 TIMING: 1581800 CPU: 4941.08, 0.00311269/step Wall: 4941.08, 0.00311269/step, 2.9555 hours remaining, 234.699219 MB of memory in use. ENERGY: 1581800 4043.6444 20482.9700 14484.4822 260.1881 -203872.0916 2993.0067 0.0000 0.0000 51944.4447 -109663.3555 298.5254 -161607.8002 -109292.8169 298.1317 -230.5418 -194.6894 762162.3243 -8.8988 -8.6626 PRESSURE: 1582000 -71.6728 91.92 146.975 91.9199 117.336 -208.227 146.975 -208.227 -125.477 GPRESSURE: 1582000 -10.877 32.5685 49.5129 209.485 143.591 -145.694 173.826 -101.051 -124.482 PRESSAVG: 1582000 75.6364 42.0908 8.22583 42.0908 -68.7662 22.6236 8.22584 22.6237 11.6393 GPRESSAVG: 1582000 74.6124 40.7844 8.39273 41.2657 -68.2887 22.2384 8.74976 22.9641 11.6013 TIMING: 1582000 CPU: 4941.71, 0.00311264/step Wall: 4941.71, 0.00311264/step, 2.95528 hours remaining, 234.699219 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: 1582000 3891.8188 20494.1533 14501.8322 245.7450 -203306.8378 2895.5616 0.0000 0.0000 51868.4967 -109409.2303 298.0890 -161277.7270 -109040.6980 298.7201 -26.6045 2.7441 763581.3939 6.1698 5.9750 PRESSURE: 1582200 -45.926 63.3362 31.9102 63.3355 323.5 36.9513 31.9101 36.9504 204.356 GPRESSURE: 1582200 34.2865 155.512 134.464 -30.6537 360.127 -7.87382 -71.2861 1.72002 193.978 PRESSAVG: 1582200 -21.4703 30.5404 10.9269 30.5405 -1.86533 18.4234 10.9269 18.4235 -2.32628 GPRESSAVG: 1582200 -21.8622 31.65 11.1186 29.6197 -1.70727 19.1032 11.6714 18.0633 -1.68143 TIMING: 1582200 CPU: 4942.33, 0.00311475/step Wall: 4942.33, 0.00311475/step, 2.9571 hours remaining, 234.699219 MB of memory in use. ENERGY: 1582200 3999.0210 20528.5834 14503.9763 238.2026 -203398.1706 2725.7120 0.0000 0.0000 51979.8014 -109422.8739 298.7286 -161402.6753 -109069.6722 298.9279 160.6433 196.1307 760619.9231 -8.5540 -8.4170 PRESSURE: 1582400 -232.553 -163.573 87.0858 -163.573 89.4343 -71.5027 87.0862 -71.5031 88.7871 GPRESSURE: 1582400 -159.728 -136.985 43.8193 -75.2089 107.293 -51.1606 71.5371 -29.324 89.1357 PRESSAVG: 1582400 22.0975 -22.8701 26.7172 -22.8702 -19.0547 -23.9398 26.7172 -23.9399 -14.1548 GPRESSAVG: 1582400 22.8768 -22.9166 26.3995 -22.0084 -19.1575 -24.5847 25.0288 -22.8532 -14.5201 TIMING: 1582400 CPU: 4942.95, 0.00311278/step Wall: 4942.95, 0.00311278/step, 2.95507 hours remaining, 234.699219 MB of memory in use. ENERGY: 1582400 3898.9831 20372.9022 14503.8192 248.3236 -203231.3546 2717.1873 0.0000 0.0000 51920.4008 -109569.7384 298.3873 -161490.1392 -109202.0571 298.6585 -18.1107 12.2334 762219.8663 -3.7040 -3.6003 PRESSURE: 1582600 -97.0477 138.146 207.517 138.147 401.493 130.407 207.517 130.406 -350.186 GPRESSURE: 1582600 33.6104 197.765 190.227 136.218 389.973 98.0372 -22.7762 -5.13166 -385.137 PRESSAVG: 1582600 6.22963 -8.34355 48.0235 -8.3436 69.6001 11.8951 48.0235 11.8951 18.8036 GPRESSAVG: 1582600 7.58269 -10.7293 47.0211 -7.00583 68.9183 10.8512 48.954 11.0977 18.1712 TIMING: 1582600 CPU: 4943.57, 0.00310763/step Wall: 4943.57, 0.00310763/step, 2.95 hours remaining, 234.699219 MB of memory in use. ENERGY: 1582600 3984.1191 20464.4783 14466.5106 253.0801 -203735.8670 3059.6045 0.0000 0.0000 51970.8384 -109537.2359 298.6771 -161508.0744 -109178.8423 298.9375 -15.2469 12.8157 762269.7002 31.5444 31.5574 PRESSURE: 1582800 -222.259 124.483 -58.4953 124.483 -69.6799 64.1063 -58.4952 64.107 150.308 GPRESSURE: 1582800 -190.072 195.057 -106.233 27.6697 36.7033 -2.27479 -107.624 25.9213 69.9066 PRESSAVG: 1582800 -8.02136 25.6523 41.5863 25.6522 14.0256 -1.66578 41.5863 -1.66578 21.1275 GPRESSAVG: 1582800 -9.18525 27.03 41.6973 24.7555 14.3555 -1.2681 40.5213 -2.27468 21.8828 TIMING: 1582800 CPU: 4944.2, 0.00311719/step Wall: 4944.2, 0.00311719/step, 2.95891 hours remaining, 234.699219 MB of memory in use. ENERGY: 1582800 3943.7223 20541.0171 14437.3063 216.2697 -203442.0828 2798.4308 0.0000 0.0000 51642.7352 -109862.6013 296.7915 -161505.3365 -109508.5850 297.9211 -47.2102 -27.8207 763362.3678 9.0439 9.0177 PRESSURE: 1583000 40.3122 166.893 -173.18 166.893 435.738 -97.145 -173.181 -97.1457 -293.086 GPRESSURE: 1583000 151.475 122.959 -216.235 242.404 353.549 -56.263 -141.203 56.1447 -262.352 PRESSAVG: 1583000 7.41419 28.1652 4.91268 28.1652 19.589 -50.4385 4.91264 -50.4385 -7.19316 GPRESSAVG: 1583000 8.19417 27.67 4.21998 27.7108 18.8623 -49.6498 5.83241 -49.3788 -7.46752 TIMING: 1583000 CPU: 4944.82, 0.00311602/step Wall: 4944.82, 0.00311602/step, 2.95762 hours remaining, 234.699219 MB of memory in use. ENERGY: 1583000 3982.8283 20301.6792 14473.9880 227.9817 -203912.6385 3112.7827 0.0000 0.0000 51750.6128 -110062.7659 297.4115 -161813.3787 -109698.3385 297.6396 60.9880 80.8908 761893.5472 6.6033 6.5297 PRESSURE: 1583200 -225.818 -158.054 -266.241 -158.055 -419.616 93.6251 -266.241 93.6241 -73.4034 GPRESSURE: 1583200 -57.9965 -213.921 -203.444 -205.78 -494.006 -3.08759 -217.496 -7.54661 -103.358 PRESSAVG: 1583200 14.2079 -10.9032 -43.1181 -10.9031 -25.9892 3.73851 -43.1181 3.73847 -5.16135 GPRESSAVG: 1583200 13.4815 -11.5328 -43.1522 -11.531 -26.5962 3.59314 -41.7504 3.98658 -4.14026 TIMING: 1583200 CPU: 4945.44, 0.00311407/step Wall: 4945.44, 0.00311407/step, 2.9556 hours remaining, 234.699219 MB of memory in use. ENERGY: 1583200 4042.3624 20379.5673 14530.6906 225.9782 -203514.3135 2712.1072 0.0000 0.0000 51884.3861 -109739.2216 298.1803 -161623.6077 -109377.0880 297.8113 -239.6124 -218.4535 762621.9374 -5.6476 -5.7516 PRESSURE: 1583400 -136.331 73.8229 25.3302 73.8242 -382.588 -81.1762 25.3293 -81.178 -442.177 GPRESSURE: 1583400 -162.525 204.712 115.912 90.6523 -268.752 -34.6681 -255.26 -27.0772 -415.852 PRESSAVG: 1583400 10.944 -26.7477 37.6686 -26.7477 -8.67686 10.7704 37.6687 10.7704 18.8457 GPRESSAVG: 1583400 10.6877 -27.9997 39.065 -25.0442 -7.33402 9.88424 36.547 11.2345 17.777 TIMING: 1583400 CPU: 4946.06, 0.00310082/step Wall: 4946.06, 0.00310082/step, 2.94285 hours remaining, 234.699219 MB of memory in use. ENERGY: 1583400 4048.2176 20467.8282 14475.0499 233.9137 -203551.5320 2866.4012 0.0000 0.0000 51942.9300 -109517.1915 298.5167 -161460.1215 -109158.9553 298.0382 -320.3654 -282.3766 762774.2967 7.0376 7.0436 PRESSURE: 1583600 -166.353 95.6182 -73.2204 95.618 50.0638 -225.698 -73.2201 -225.698 135.532 GPRESSURE: 1583600 -39.3647 176.311 -64.7237 220.899 -19.4862 -221.664 86.2186 -158.238 163.656 PRESSAVG: 1583600 -50.733 30.2165 24.9408 30.2164 11.8568 -45.8932 24.9407 -45.8933 -4.68372 GPRESSAVG: 1583600 -49.8039 32.0505 23.914 28.793 11.7229 -44.1471 25.3705 -47.1773 -5.29629 TIMING: 1583600 CPU: 4946.69, 0.00310969/step Wall: 4946.69, 0.00310969/step, 2.95109 hours remaining, 234.699219 MB of memory in use. ENERGY: 1583600 4046.6290 20413.8762 14386.7728 257.6303 -202897.6579 2381.8884 0.0000 0.0000 51996.5193 -109414.3419 298.8247 -161410.8612 -109059.6476 297.9838 6.4143 34.9352 763570.1758 -14.5200 -14.4591 PRESSURE: 1583800 -458.417 105.012 -65.2619 105.012 -293.574 139.551 -65.2624 139.551 -161.33 GPRESSURE: 1583800 -390.765 115.845 -127.865 -8.82613 -315.817 164.711 -99.2495 142.243 -118.809 PRESSAVG: 1583800 -32.7199 63.1651 2.91764 63.165 -3.6329 -42.8972 2.91763 -42.8973 13.631 GPRESSAVG: 1583800 -32.8646 63.9048 3.77062 64.1455 -3.92692 -42.8976 0.800377 -43.9603 14.6094 TIMING: 1583800 CPU: 4947.31, 0.00310499/step Wall: 4947.31, 0.00310499/step, 2.94646 hours remaining, 234.699219 MB of memory in use. ENERGY: 1583800 4032.2309 20336.6344 14430.4238 255.6472 -202974.8755 2690.2205 0.0000 0.0000 51832.1564 -109397.5623 297.8801 -161229.7187 -109031.4986 298.0931 -304.4403 -275.1303 765122.3961 -7.5739 -7.3940 PRESSURE: 1584000 -531.361 -46.135 -141.724 -46.1359 -297.372 99.8931 -141.724 99.8934 -120.246 GPRESSURE: 1584000 -482.912 -107.821 -119.117 -50.9964 -308.058 74.2821 -12.4731 43.7877 -73.2286 PRESSAVG: 1584000 -59.5238 11.9876 14.5241 11.9875 42.7894 -52.6456 14.5241 -52.6456 8.48635 GPRESSAVG: 1584000 -58.2453 10.8891 13.6625 11.4692 44.2181 -52.8379 17.5926 -51.4051 6.504 TIMING: 1584000 CPU: 4947.93, 0.00311693/step Wall: 4947.93, 0.00311693/step, 2.95762 hours remaining, 234.699219 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: 1584000 4020.9957 20422.1878 14435.4594 244.3569 -202433.2574 2423.1419 0.0000 0.0000 51854.7139 -109032.4019 298.0098 -160887.1158 -108671.1299 298.8884 -316.3265 -288.0664 764858.2928 -2.7494 -2.5077 PRESSURE: 1584200 -244.691 -17.6634 -37.8626 -17.6636 -158.694 78.145 -37.863 78.1434 230.65 GPRESSURE: 1584200 -272.041 -52.158 15.0633 4.87027 -66.6733 -21.7442 62.1623 208.33 240.852 PRESSAVG: 1584200 -23.2216 18.7229 -19.1186 18.7229 2.67833 24.5027 -19.1187 24.5026 10.5888 GPRESSAVG: 1584200 -24.8057 18.1112 -19.3071 18.9795 1.58269 24.5825 -21.4661 24.8318 13.4254 TIMING: 1584200 CPU: 4948.55, 0.00312413/step Wall: 4948.55, 0.00312413/step, 2.96428 hours remaining, 234.699219 MB of memory in use. ENERGY: 1584200 3978.3302 20507.3356 14444.4785 264.0940 -202472.4676 2161.3776 0.0000 0.0000 52270.9297 -108845.9219 300.4018 -161116.8517 -108480.7949 298.9749 -57.5781 -32.6207 764989.6866 -3.3182 -3.2659 LDB: ============= START OF LOAD BALANCING ============== 4961.03 LDB: ============== END OF LOAD BALANCING =============== 4961.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4961.03 LDB: ============= START OF LOAD BALANCING ============== 4961.35 LDB: Largest compute 7052 load 0.029224 is 15.0% of average load 0.195041 LDB: Average compute 0.004404 is 2.3% of average load 0.195041 LDB: TIME 4961.35 LOAD: AVG 0.195041 MAX 0.215632 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.676 MB LDB: TIME 4961.35 LOAD: AVG 0.195041 MAX 0.215632 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.879 MB LDB: TIME 4961.35 LOAD: AVG 0.195041 MAX 0.215632 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.879 MB LDB: ============== END OF LOAD BALANCING =============== 4961.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4961.36 PRESSURE: 1584400 -173.842 104.529 -49.1156 104.53 183.232 36.8392 -49.1161 36.84 380.082 GPRESSURE: 1584400 -122.241 31.8233 -72.1025 74.484 196.37 9.81896 -165.091 155.022 395.504 PRESSAVG: 1584400 -24.6906 31.7987 -57.2318 31.7988 25.5438 -23.5993 -57.2318 -23.5992 -2.46328 GPRESSAVG: 1584400 -23.3992 32.8012 -56.1723 30.609 25.2054 -22.904 -55.2821 -23.646 -3.70007 TIMING: 1584400 CPU: 4949.19, 0.00318536/step Wall: 4949.19, 0.00318536/step, 3.0222 hours remaining, 233.230469 MB of memory in use. ENERGY: 1584400 3936.3514 20346.2983 14476.6576 254.9378 -202856.2634 2765.4554 0.0000 0.0000 52180.5693 -108895.9935 299.8824 -161076.5628 -108544.5595 299.3690 129.8236 156.5443 764796.4697 -0.5367 -0.6313 PRESSURE: 1584600 130.659 30.5473 51.0439 30.5471 71.3718 331.704 51.0438 331.704 248.166 GPRESSURE: 1584600 106.946 -9.01832 108.847 25.8869 124.335 363.595 43.6884 164.536 310.67 PRESSAVG: 1584600 -36.8653 17.7561 -1.96552 17.7561 9.22094 19.0712 -1.96551 19.0712 1.88289 GPRESSAVG: 1584600 -38.5238 15.9746 -1.816 18.7562 9.40073 19.6502 -3.39601 16.3987 2.60419 TIMING: 1584600 CPU: 4949.81, 0.00311312/step Wall: 4949.81, 0.00311312/step, 2.95349 hours remaining, 233.230469 MB of memory in use. ENERGY: 1584600 3984.3583 20636.2967 14460.2232 248.2190 -203279.5305 2951.5002 0.0000 0.0000 52108.1344 -108890.7986 299.4662 -160998.9330 -108526.7342 299.8167 150.0656 180.6505 763481.7255 -8.5872 -8.8396 PRESSURE: 1584800 -124.847 96.2752 312.503 96.2758 55.731 226.531 312.503 226.53 -102.593 GPRESSURE: 1584800 -95.3164 188.242 306.846 75.8216 65.3782 157.687 252.424 306.444 -47.7172 PRESSAVG: 1584800 15.224 23.5535 55.7259 23.5535 -32.261 31.967 55.726 31.9671 -18.1864 GPRESSAVG: 1584800 16.8034 24.2934 55.2666 23.2939 -32.1651 30.1945 54.9404 35.1862 -20.0812 TIMING: 1584800 CPU: 4950.44, 0.00311916/step Wall: 4950.44, 0.00311916/step, 2.95905 hours remaining, 233.230469 MB of memory in use. ENERGY: 1584800 3983.5441 20642.2422 14436.0944 269.9349 -203362.6371 2988.5844 0.0000 0.0000 52194.3844 -108847.8526 299.9618 -161042.2370 -108497.6899 299.7789 -57.2361 -25.8851 765068.2935 -11.7412 -11.8143 PRESSURE: 1585000 188.356 61.8438 -49.7216 61.8432 -262.845 41.1197 -49.7209 41.12 -421.955 GPRESSURE: 1585000 218.904 79.6662 -65.0348 81.4051 -282.851 35.4641 -60.7947 -80.7046 -351.738 PRESSAVG: 1585000 9.19516 2.74338 -24.2303 2.74334 42.6489 18.3513 -24.2303 18.3513 18.0998 GPRESSAVG: 1585000 8.5676 5.02178 -23.3632 0.288516 42.8249 20.2911 -23.3431 17.8329 18.4973 TIMING: 1585000 CPU: 4951.06, 0.00310736/step Wall: 4951.06, 0.00310736/step, 2.94767 hours remaining, 233.230469 MB of memory in use. ENERGY: 1585000 4023.0850 20393.8020 14437.3020 265.1595 -203132.7543 2747.3234 0.0000 0.0000 52184.5041 -109081.5783 299.9051 -161266.0824 -108697.4174 299.9458 -165.4812 -138.5614 762786.1037 23.3146 23.2966 PRESSURE: 1585200 -105.147 0.147968 -0.0883531 0.149339 28.0795 -93.2948 -0.088348 -93.2948 -209.872 GPRESSURE: 1585200 -26.8295 -120.459 -65.1781 69.5332 -29.93 -140.434 26.4856 -118.304 -132.681 PRESSAVG: 1585200 -51.2852 37.1051 14.3599 37.105 4.4428 -46.1268 14.3599 -46.1268 12.2983 GPRESSAVG: 1585200 -51.0781 33.8352 12.8992 37.54 3.22768 -46.609 15.6569 -50.1534 13.3077 TIMING: 1585200 CPU: 4951.68, 0.00310058/step Wall: 4951.68, 0.00310058/step, 2.94107 hours remaining, 233.230469 MB of memory in use. ENERGY: 1585200 4050.0696 20443.0082 14444.0361 233.7223 -203086.1561 2599.9809 0.0000 0.0000 51990.2623 -109325.0766 298.7888 -161315.3389 -108953.6812 299.3040 -95.6464 -63.1469 761846.1499 -11.5147 -11.5142 PRESSURE: 1585400 309.274 -75.0277 -10.4455 -75.0265 239.238 -72.264 -10.4459 -72.2643 -83.1321 GPRESSURE: 1585400 301.863 -35.4763 58.9215 -94.6152 328.142 -42.113 128.329 -113.584 -75.4371 PRESSAVG: 1585400 -59.1299 9.95754 -4.254 9.95753 53.7227 -51.5504 -4.25407 -51.5504 -22.8019 GPRESSAVG: 1585400 -59.6173 12.6967 -4.24106 10.2683 55.6489 -51.9848 -3.81607 -47.5906 -24.1638 TIMING: 1585400 CPU: 4952.3, 0.00310407/step Wall: 4952.3, 0.00310407/step, 2.94421 hours remaining, 233.230469 MB of memory in use. ENERGY: 1585400 3953.6271 20458.9232 14395.7608 245.5585 -203465.2641 2824.9731 0.0000 0.0000 52196.1168 -109390.3045 299.9718 -161586.4213 -109025.4787 298.9568 155.1269 184.8560 763366.6773 -9.4031 -9.3774 PRESSURE: 1585600 187.113 104.347 185.404 104.348 434.574 -34.967 185.406 -34.9668 -107.603 GPRESSURE: 1585600 206.642 96.4267 133.886 105.55 376.248 -79.6369 48.0562 -39.7229 13.2476 PRESSAVG: 1585600 -76.082 -57.8294 -6.68859 -57.8294 63.8841 15.6418 -6.68858 15.6417 -0.996642 GPRESSAVG: 1585600 -76.4482 -59.6041 -6.88951 -56.3354 64.0769 16.0013 -8.89467 16.5218 -0.94296 TIMING: 1585600 CPU: 4952.92, 0.00310906/step Wall: 4952.92, 0.00310906/step, 2.94877 hours remaining, 233.230469 MB of memory in use. ENERGY: 1585600 4005.1982 20488.7201 14407.2125 248.4857 -203162.5723 2799.6546 0.0000 0.0000 51903.3892 -109309.9118 298.2895 -161213.3010 -108951.5178 299.0681 171.3614 198.7124 763008.6909 -4.3982 -4.4381 PRESSURE: 1585800 77.7546 -67.272 -62.9118 -67.272 -198.845 1.93696 -62.9118 1.936 20.0306 GPRESSURE: 1585800 -10.1558 -2.35817 -51.0042 -156.24 -66.6009 -66.2009 38.3713 -3.66909 55.4688 PRESSAVG: 1585800 -12.4394 34.0831 -22.9221 34.0831 48.1198 30.6083 -22.9221 30.6083 8.92458 GPRESSAVG: 1585800 -13.0835 33.594 -22.7111 31.0717 47.7862 31.6301 -23.1368 29.8562 10.2857 TIMING: 1585800 CPU: 4953.54, 0.00310684/step Wall: 4953.54, 0.00310684/step, 2.94649 hours remaining, 233.230469 MB of memory in use. ENERGY: 1585800 3891.1014 20526.5052 14507.3932 240.8119 -203345.3519 2581.6472 0.0000 0.0000 52092.2829 -109505.6101 299.3751 -161597.8930 -109144.0508 298.7568 -33.6865 -7.0960 761687.1252 14.8683 14.9961 PRESSURE: 1586000 -158.278 -21.5193 133.064 -21.5202 251.22 -123.916 133.064 -123.915 393.507 GPRESSURE: 1586000 -125.308 -36.0591 143.438 -124.819 369.134 -128.929 77.0374 -128.128 316.323 PRESSAVG: 1586000 0.481583 13.8132 5.91018 13.8133 -48.1119 -16.8929 5.91019 -16.8929 21.0581 GPRESSAVG: 1586000 1.8645 15.1351 5.48932 14.8627 -48.0217 -19.2852 7.36702 -15.3979 19.2861 TIMING: 1586000 CPU: 4954.17, 0.00312425/step Wall: 4954.17, 0.00312425/step, 2.96283 hours remaining, 233.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1586000 4059.9027 20519.4090 14432.0979 235.3076 -203921.0124 3024.8780 0.0000 0.0000 52042.4198 -109606.9974 299.0885 -161649.4172 -109255.7037 298.8100 162.1497 186.7165 761824.3744 -8.8574 -8.9571 PRESSURE: 1586200 117.764 -77.0335 57.5716 -77.0323 -169.786 69.9727 57.5715 69.9718 -527.933 GPRESSURE: 1586200 126.189 -181.039 34.9433 -16.7199 -140.007 160.173 -14.0197 27.0373 -481.038 PRESSAVG: 1586200 50.7947 30.7519 -7.55557 30.7519 -11.9363 51.7707 -7.55551 51.7708 1.95412 GPRESSAVG: 1586200 50.0606 30.7476 -8.67129 31.4817 -12.3575 52.8935 -9.18862 48.8015 3.47355 TIMING: 1586200 CPU: 4954.79, 0.00311168/step Wall: 4954.79, 0.00311168/step, 2.95073 hours remaining, 233.230469 MB of memory in use. ENERGY: 1586200 4073.8795 20604.0301 14332.0425 247.0382 -203363.1809 2617.4916 0.0000 0.0000 51941.1898 -109547.5093 298.5067 -161488.6991 -109186.8959 298.7834 -193.3183 -164.9520 763465.7820 13.6042 13.7255 PRESSURE: 1586400 246.251 -95.9978 113.051 -95.9975 -35.2777 37.8483 113.051 37.848 -50.4055 GPRESSURE: 1586400 126.909 -130.831 126.8 -107.487 131.808 11.3486 22.8037 123.749 -10.0424 PRESSAVG: 1586400 8.32275 -9.66545 95.8284 -9.6655 -6.39162 15.898 95.8285 15.898 -7.28989 GPRESSAVG: 1586400 9.20391 -10.2317 97.4707 -8.60295 -6.43259 15.2753 95.9321 16.4201 -7.89579 TIMING: 1586400 CPU: 4955.41, 0.00310653/step Wall: 4955.41, 0.00310653/step, 2.94568 hours remaining, 233.230469 MB of memory in use. ENERGY: 1586400 3983.5732 20583.1406 14422.2113 236.0096 -203767.3205 3005.3732 0.0000 0.0000 52007.7208 -109529.2918 298.8891 -161537.0126 -109163.3161 298.5123 53.5224 82.8915 760817.8013 -1.7863 -1.7082 PRESSURE: 1586600 -11.7151 36.3655 -12.8485 36.3646 64.2805 -20.9676 -12.8486 -20.967 -145.191 GPRESSURE: 1586600 -11.68 37.8487 -46.8572 -27.9667 109.205 -115.152 38.4771 -53.0711 -91.6925 PRESSAVG: 1586600 35.839 -4.97345 81.0653 -4.97351 1.48664 37.6753 81.0652 37.6753 9.86782 GPRESSAVG: 1586600 36.7164 -6.27847 81.0121 -4.69044 1.25654 37.8034 83.3595 39.7505 8.96855 TIMING: 1586600 CPU: 4956.04, 0.0031246/step Wall: 4956.04, 0.0031246/step, 2.96264 hours remaining, 233.230469 MB of memory in use. ENERGY: 1586600 4024.8552 20434.1096 14424.9812 244.0054 -203392.0297 2676.6157 0.0000 0.0000 52035.7479 -109551.7147 299.0502 -161587.4626 -109188.0633 299.0530 -30.8753 1.9441 761495.0747 15.7311 15.6472 PRESSURE: 1586800 -35.182 -81.3804 339.096 -81.3809 307.48 -219.987 339.096 -219.988 428.173 GPRESSURE: 1586800 20.4971 -63.9746 386.399 -23.3605 273.514 -343.395 227.067 -120.142 490.404 PRESSAVG: 1586800 -14.2594 3.37833 17.5817 3.37828 19.1444 19.5945 17.5818 19.5945 -5.03422 GPRESSAVG: 1586800 -15.2415 5.58294 18.1841 3.72529 19.7017 19.6584 16.4333 18.3062 -5.11463 TIMING: 1586800 CPU: 4956.66, 0.00311447/step Wall: 4956.66, 0.00311447/step, 2.95287 hours remaining, 233.230469 MB of memory in use. ENERGY: 1586800 3961.3679 20335.5054 14390.2792 248.9588 -203646.8609 3019.7930 0.0000 0.0000 52395.7542 -109295.2024 301.1191 -161690.9566 -108936.8317 299.1678 233.4904 261.4720 762110.2856 -0.0497 -0.2181 PRESSURE: 1587000 40.6576 99.4283 -107.632 99.4286 -160.345 -35.7749 -107.632 -35.7744 -10.0999 GPRESSURE: 1587000 64.4487 135.857 -103.835 137.654 -94.0036 -108.541 -25.5551 -68.7812 -20.0709 PRESSAVG: 1587000 36.8829 23.7956 19.8053 23.7956 5.72732 -5.17286 19.8054 -5.17289 13.6347 GPRESSAVG: 1587000 37.3362 21.6328 19.3513 22.7791 5.29845 -6.02554 18.2065 -5.08307 12.9807 TIMING: 1587000 CPU: 4957.28, 0.00311351/step Wall: 4957.28, 0.00311351/step, 2.95178 hours remaining, 233.230469 MB of memory in use. ENERGY: 1587000 4050.8432 20628.1779 14407.7600 241.1071 -203229.9363 2778.9530 0.0000 0.0000 51957.1183 -109165.9767 298.5983 -161123.0951 -108809.6069 299.5696 -43.2624 -16.5419 763775.2489 18.7483 18.5385 PRESSURE: 1587200 194.241 -109.46 73.8309 -109.461 -239.151 -105.072 73.8319 -105.071 16.784 GPRESSURE: 1587200 221.543 -141.058 57.2252 -12.4447 -152.542 -70.1524 132.532 -90.1792 -10.2993 PRESSAVG: 1587200 15.0597 -15.801 39.5828 -15.801 -47.2166 -31.72 39.5829 -31.72 5.88663 GPRESSAVG: 1587200 14.8287 -14.4011 38.7761 -15.2751 -47.5109 -30.7488 41.8414 -33.6043 6.88434 TIMING: 1587200 CPU: 4957.91, 0.00312027/step Wall: 4957.91, 0.00312027/step, 2.95802 hours remaining, 233.230469 MB of memory in use. ENERGY: 1587200 4032.5898 20623.1697 14436.6347 248.9443 -203356.2700 2703.5501 0.0000 0.0000 52144.2580 -109167.1233 299.6738 -161311.3814 -108810.5960 299.2559 -9.3752 19.5672 762707.2625 -8.7568 -8.5993 PRESSURE: 1587400 -36.3771 -141.31 188.987 -141.31 -178.306 -71.9557 188.986 -71.956 -366.169 GPRESSURE: 1587400 -128.406 -182.583 246.39 -115.43 -65.0838 1.40749 159.292 3.44924 -315.511 PRESSAVG: 1587400 -34.2775 11.9574 20.7638 11.9574 -15.0726 -4.5932 20.7638 -4.59322 -5.85396 GPRESSAVG: 1587400 -34.7141 10.9132 21.9416 11.5719 -14.5957 -4.34509 20.0363 -2.81161 -5.77863 TIMING: 1587400 CPU: 4958.53, 0.00312349/step Wall: 4958.53, 0.00312349/step, 2.96089 hours remaining, 233.230469 MB of memory in use. ENERGY: 1587400 4012.8416 20627.1239 14495.7175 234.9767 -203024.7041 2631.7951 0.0000 0.0000 51911.2434 -109111.0058 298.3346 -161022.2492 -108743.5516 299.2223 -193.6173 -169.6670 763882.1455 -18.4014 -18.3628 PRESSURE: 1587600 130.448 246.332 40.3314 246.333 -97.3669 53.912 40.3324 53.911 43.435 GPRESSURE: 1587600 89.8049 318.095 58.5603 67.1887 -7.80473 103.85 31.2323 61.5928 83.9251 PRESSAVG: 1587600 -3.16626 51.0762 89.6541 51.0763 22.2577 -17.5359 89.6541 -17.536 1.88298 GPRESSAVG: 1587600 -2.56402 52.583 88.9494 49.4969 20.7869 -16.1502 90.6895 -16.3713 2.45933 TIMING: 1587600 CPU: 4959.15, 0.00311019/step Wall: 4959.15, 0.00311019/step, 2.94811 hours remaining, 233.230469 MB of memory in use. ENERGY: 1587600 4005.3142 20620.6900 14460.2662 237.9848 -203218.3641 2764.2369 0.0000 0.0000 52150.2397 -108979.6322 299.7081 -161129.8719 -108623.0006 299.5858 25.5052 55.3084 763808.2670 6.9915 6.8941 PRESSURE: 1587800 125.771 195.976 99.0641 195.976 -312.859 -397.166 99.0647 -397.165 -50.5554 GPRESSURE: 1587800 135.446 299.541 75.9154 123.914 -312.443 -338.57 39.036 -373.355 15.7853 PRESSAVG: 1587800 -35.1032 29.0361 17.888 29.036 78.6963 -21.4029 17.888 -21.4029 16.7065 GPRESSAVG: 1587800 -34.5142 26.4181 17.093 31.019 78.5338 -23.8323 16.003 -22.1668 16.3278 TIMING: 1587800 CPU: 4959.78, 0.00311297/step Wall: 4959.78, 0.00311297/step, 2.95057 hours remaining, 233.230469 MB of memory in use. ENERGY: 1587800 4036.0286 20563.7020 14420.0530 238.1889 -203127.7785 2981.0668 0.0000 0.0000 52108.2181 -108780.5211 299.4666 -160888.7392 -108419.5490 300.2563 -79.2144 -53.7374 763588.6501 20.0999 20.1158 PRESSURE: 1588000 -112.427 -94.3697 36.3668 -94.3697 -679.058 142.319 36.3672 142.318 161.858 GPRESSURE: 1588000 -122.04 -64.8364 81.4636 -82.1257 -552.709 62.3083 13.8584 265.881 107.003 PRESSAVG: 1588000 40.8354 54.0871 33.072 54.0871 -61.9473 26.1056 33.072 26.1055 1.44575 GPRESSAVG: 1588000 40.8487 56.6356 32.9992 55.0306 -61.8286 27.234 35.1452 25.5538 0.900351 TIMING: 1588000 CPU: 4960.4, 0.00312504/step Wall: 4960.4, 0.00312504/step, 2.96184 hours remaining, 233.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1588000 4003.2336 20562.9101 14423.1284 229.7021 -203275.8182 2848.3831 0.0000 0.0000 52281.7196 -108926.7414 300.4638 -161208.4610 -108554.4787 300.2199 -209.8758 -189.2488 763009.2390 -6.5554 -6.6932 PRESSURE: 1588200 147.678 15.3614 34.8522 15.3614 74.5722 28.7833 34.8526 28.7845 -49.9008 GPRESSURE: 1588200 103.227 101.56 -112.812 167.837 103.525 -80.5448 47.7637 -2.56561 75.5513 PRESSAVG: 1588200 58.556 26.8959 0.962316 26.8959 -29.926 -8.35702 0.962276 -8.35709 -19.7321 GPRESSAVG: 1588200 57.1385 26.1711 1.46027 24.449 -28.5795 -9.94287 -0.605408 -8.74782 -19.3875 TIMING: 1588200 CPU: 4961.03, 0.00312374/step Wall: 4961.03, 0.00312374/step, 2.96043 hours remaining, 233.230469 MB of memory in use. ENERGY: 1588200 4054.2630 20468.9499 14417.2195 231.0267 -203134.3962 2932.8228 0.0000 0.0000 52299.2696 -108730.8447 300.5646 -161030.1143 -108367.2309 300.4844 57.4497 94.1013 763289.9816 2.9660 3.0572 LDB: ============= START OF LOAD BALANCING ============== 4973.5 LDB: ============== END OF LOAD BALANCING =============== 4973.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4973.51 LDB: ============= START OF LOAD BALANCING ============== 4973.82 LDB: Largest compute 6972 load 0.028864 is 14.8% of average load 0.195010 LDB: Average compute 0.004385 is 2.2% of average load 0.195010 LDB: TIME 4973.82 LOAD: AVG 0.19501 MAX 0.212106 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.766 MB LDB: TIME 4973.82 LOAD: AVG 0.19501 MAX 0.212106 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.969 MB LDB: TIME 4973.82 LOAD: AVG 0.19501 MAX 0.212106 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.969 MB LDB: ============== END OF LOAD BALANCING =============== 4973.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4973.83 PRESSURE: 1588400 -166.917 -84.9992 46.5878 -84.9993 -335.72 -68.8345 46.5872 -68.8346 -197.062 GPRESSURE: 1588400 -173.197 -100.455 12.7672 -105.018 -226.022 -8.24961 -61.5688 -68.7668 -204.313 PRESSAVG: 1588400 -40.8669 14.3369 -15.8232 14.3369 35.9532 -98.7668 -15.8232 -98.7668 12.1855 GPRESSAVG: 1588400 -41.0119 12.4549 -16.1082 15.3452 35.3927 -95.6062 -13.9774 -97.3977 12.846 TIMING: 1588400 CPU: 4961.66, 0.00317377/step Wall: 4961.66, 0.00317377/step, 3.00768 hours remaining, 233.539062 MB of memory in use. ENERGY: 1588400 4036.1167 20552.0536 14466.3427 256.2238 -203322.4844 2688.1888 0.0000 0.0000 52265.2241 -109058.3346 300.3690 -161323.5587 -108678.6792 299.8869 -233.2333 -201.1773 762042.6827 2.4240 2.4089 PRESSURE: 1588600 415.723 -177.022 -198.66 -177.022 237.425 187.393 -198.659 187.393 -51.4549 GPRESSURE: 1588600 417.875 -201.903 -170.386 -75.8186 259.456 169.099 -205.404 114.841 3.21378 PRESSAVG: 1588600 -19.7761 6.84458 -28.9793 6.84453 54.4932 -59.6365 -28.9792 -59.6365 5.89866 GPRESSAVG: 1588600 -18.2008 8.14963 -27.8765 5.32524 53.1361 -60.6676 -30.6594 -60.6307 5.6477 TIMING: 1588600 CPU: 4962.28, 0.00311188/step Wall: 4962.28, 0.00311188/step, 2.94885 hours remaining, 233.742188 MB of memory in use. ENERGY: 1588600 3996.0408 20570.1165 14435.3942 236.2175 -203635.2979 3155.7219 0.0000 0.0000 52088.6789 -109153.1281 299.3544 -161241.8070 -108784.3428 299.7294 200.5646 226.8483 763096.9052 13.5386 13.5277 PRESSURE: 1588800 74.6879 -182.319 27.091 -182.319 -232.053 189.04 27.0911 189.042 -5.45647 GPRESSURE: 1588800 99.6754 -136.087 -66.9461 -87.7357 -152.435 175.565 -43.7657 78.4489 -14.3693 PRESSAVG: 1588800 -17.5734 27.2105 -24.9922 27.2105 17.4906 -52.3842 -24.9922 -52.3842 -10.2317 GPRESSAVG: 1588800 -17.9723 27.7957 -27.4697 27.7269 18.2744 -52.4685 -23.1232 -51.1281 -10.2845 TIMING: 1588800 CPU: 4962.91, 0.00311687/step Wall: 4962.91, 0.00311687/step, 2.95341 hours remaining, 233.742188 MB of memory in use. ENERGY: 1588800 3986.9603 20486.7778 14387.6690 241.3517 -203398.4222 2745.5422 0.0000 0.0000 52157.3588 -109392.7623 299.7491 -161550.1211 -109031.9354 299.5127 -54.2737 -22.3764 762512.8260 -3.4382 -3.3275 PRESSURE: 1589000 -202.763 -116.327 8.66526 -116.327 10.8457 55.9412 8.66498 55.9421 -0.020496 GPRESSURE: 1589000 -242.67 16.998 138.365 11.6925 115.457 -61.854 -5.63153 23.9163 29.8776 PRESSAVG: 1589000 -17.6827 20.8683 -34.7117 20.8683 -22.4105 26.5999 -34.7116 26.5999 -17.953 GPRESSAVG: 1589000 -17.0048 22.6797 -33.1722 21.0589 -22.3155 26.0062 -35.3422 26.9026 -18.3149 TIMING: 1589000 CPU: 4963.53, 0.00312185/step Wall: 4963.53, 0.00312185/step, 2.95795 hours remaining, 233.742188 MB of memory in use. ENERGY: 1589000 3996.5182 20461.1175 14410.4584 246.5159 -203228.2177 2694.0236 0.0000 0.0000 52299.9552 -109119.6289 300.5686 -161419.5841 -108753.8130 299.0198 -63.9793 -32.4451 762711.5491 -19.3487 -19.2117 PRESSURE: 1589200 -211.982 7.62573 156.239 7.62433 -123.267 -212.026 156.239 -212.027 -123.569 GPRESSURE: 1589200 -209.232 -100.331 177.379 -96.8006 -82.7498 -106.032 42.3509 -286.377 -87.5819 PRESSAVG: 1589200 50.4872 29.4711 -40.3674 29.4711 40.9658 13.5805 -40.3674 13.5804 17.1948 GPRESSAVG: 1589200 48.8897 26.2755 -39.236 29.2375 41.0901 11.6447 -41.4239 13.7385 18.6534 TIMING: 1589200 CPU: 4964.16, 0.00313301/step Wall: 4964.16, 0.00313301/step, 2.96835 hours remaining, 233.742188 MB of memory in use. ENERGY: 1589200 4010.9615 20519.5961 14415.1661 250.4699 -202930.5178 2663.2586 0.0000 0.0000 52101.4687 -108969.5971 299.4279 -161071.0657 -108601.6066 299.3974 -152.9390 -126.5214 763926.2326 36.2159 36.2111 PRESSURE: 1589400 -391.726 201.569 -223.597 201.57 -194.5 111.494 -223.597 111.493 -249.278 GPRESSURE: 1589400 -308.704 231.847 -165.846 254.464 -215.111 55.2952 -98.2245 80.4928 -225.8 PRESSAVG: 1589400 -41.9852 -5.08836 30.0734 -5.0884 2.53525 -8.86401 30.0735 -8.86405 -6.64642 GPRESSAVG: 1589400 -40.1649 -5.28876 29.017 -3.02338 1.1701 -6.03187 31.8596 -9.19142 -6.95099 TIMING: 1589400 CPU: 4964.78, 0.00312653/step Wall: 4964.78, 0.00312653/step, 2.96204 hours remaining, 233.742188 MB of memory in use. ENERGY: 1589400 4056.6646 20422.9512 14389.5046 249.5489 -202743.4357 2322.3391 0.0000 0.0000 52170.5125 -109131.9148 299.8247 -161302.4273 -108759.2970 299.4633 -278.5012 -249.8715 761938.9073 -15.3655 -15.3153 PRESSURE: 1589600 40.3568 -24.1802 33.8684 -24.1803 -128.81 267.899 33.8677 267.9 113.956 GPRESSURE: 1589600 24.062 84.1809 65.843 -142.64 -44.0927 218.597 -6.61558 160.186 146.753 PRESSAVG: 1589600 -75.1679 35.0333 -2.10502 35.0333 55.6884 -28.1777 -2.10504 -28.1776 -5.5682 GPRESSAVG: 1589600 -76.4875 38.2119 -2.50682 32.9286 57.452 -28.0439 -2.62827 -30.1249 -5.86426 TIMING: 1589600 CPU: 4965.41, 0.00312475/step Wall: 4965.41, 0.00312475/step, 2.96018 hours remaining, 233.742188 MB of memory in use. ENERGY: 1589600 3997.1557 20443.5132 14445.4134 241.8498 -203533.0868 2972.0641 0.0000 0.0000 52102.3129 -109330.7776 299.4327 -161433.0905 -108960.3436 299.0351 8.5012 42.2409 760912.9584 -8.3492 -8.2999 PRESSURE: 1589800 -72.951 -72.1947 80.5171 -72.1941 -460.438 43.7198 80.516 43.7188 -133.283 GPRESSURE: 1589800 -69.6928 58.4959 53.4575 -70.0109 -357.617 89.5999 39.7737 69.1178 -127.047 PRESSAVG: 1589800 -10.6687 76.1448 -43.2643 76.1448 28.8182 33.4685 -43.2643 33.4685 0.971047 GPRESSAVG: 1589800 -10.5746 74.9172 -42.8906 78.3128 28.8465 33.1136 -43.2949 33.7008 0.933956 TIMING: 1589800 CPU: 4966.03, 0.00312689/step Wall: 4966.03, 0.00312689/step, 2.96204 hours remaining, 233.742188 MB of memory in use. ENERGY: 1589800 4080.3121 20637.0161 14443.1454 262.3118 -203547.6565 2971.3404 0.0000 0.0000 51818.7812 -109334.7496 297.8032 -161153.5308 -108985.9283 298.8638 -222.2240 -184.7856 761506.1230 6.3735 6.4019 PRESSURE: 1590000 -100.858 -56.2234 13.4398 -56.2237 -59.1637 -26.3676 13.4403 -26.3672 -430.096 GPRESSURE: 1590000 -23.9065 -70.4674 63.6921 -3.33105 -27.7079 -59.1209 45.3532 -31.9888 -456.858 PRESSAVG: 1590000 -19.5314 -34.1073 49.0469 -34.1072 -27.0362 -17.7331 49.047 -17.7331 29.5697 GPRESSAVG: 1590000 -18.4031 -34.7871 49.9095 -34.79 -27.7419 -18.2498 48.7529 -15.803 29.11 TIMING: 1590000 CPU: 4966.66, 0.00313096/step Wall: 4966.66, 0.00313096/step, 2.96572 hours remaining, 233.742188 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: 1590000 3967.1987 20558.0775 14472.4937 230.8681 -203203.1610 2847.2802 0.0000 0.0000 51968.3258 -109158.9170 298.6627 -161127.2428 -108793.2733 299.0991 -196.7058 -169.4908 762078.4469 -5.6660 -5.6783 PRESSURE: 1590200 -124.696 -181.772 -82.0184 -181.771 -497.484 -209.939 -82.0181 -209.941 -36.7205 GPRESSURE: 1590200 -87.2967 -118.945 -58.5569 -130.846 -443.721 -192.592 -21.6233 -211.563 -35.2801 PRESSAVG: 1590200 -22.7836 27.2268 1.11925 27.2269 61.3164 -28.9229 1.11923 -28.9229 -2.5624 GPRESSAVG: 1590200 -23.6421 30.3878 -1.06398 25.614 61.994 -31.6231 1.08362 -29.3423 -1.93038 TIMING: 1590200 CPU: 4967.28, 0.00311194/step Wall: 4967.28, 0.00311194/step, 2.94753 hours remaining, 233.742188 MB of memory in use. ENERGY: 1590200 3991.3062 20473.7613 14518.1034 271.2191 -203236.3768 2700.1262 0.0000 0.0000 52115.7928 -109166.0678 299.5102 -161281.8606 -108806.2722 299.3597 -219.6335 -188.7658 761304.6812 11.9901 12.1405 PRESSURE: 1590400 -114.568 -47.0321 114.965 -47.0329 -514.242 -6.66877 114.965 -6.66895 -299.2 GPRESSURE: 1590400 -52.3913 -69.325 174.099 -79.2476 -389.889 -26.6754 152.333 58.0836 -382.524 PRESSAVG: 1590400 61.7878 -5.95073 -22.2043 -5.95071 -42.4147 -27.0923 -22.2044 -27.0923 3.30105 GPRESSAVG: 1590400 62.0976 -5.66329 -18.4495 -4.53802 -41.7848 -24.5659 -23.1744 -26.8901 1.77831 TIMING: 1590400 CPU: 4967.91, 0.00311797/step Wall: 4967.91, 0.00311797/step, 2.95306 hours remaining, 233.742188 MB of memory in use. ENERGY: 1590400 4048.5390 20521.4149 14417.6287 266.3496 -202969.1031 2420.1320 0.0000 0.0000 51992.1487 -109302.8902 298.7996 -161295.0390 -108951.2221 299.1377 -309.3364 -274.9347 762139.5478 7.5581 7.3637 PRESSURE: 1590600 -7.1247 -271.343 -417.528 -271.342 160.011 -38.6198 -417.529 -38.6188 359.28 GPRESSURE: 1590600 67.9527 -262.71 -330.013 -313.721 170.386 -77.0717 -230.448 32.022 375.07 PRESSAVG: 1590600 71.1494 41.8545 4.38251 41.8545 -18.0763 -65.0497 4.38258 -65.0497 -0.919909 GPRESSAVG: 1590600 71.7114 39.5803 2.06234 41.7456 -19.7478 -63.2917 5.20974 -64.9298 -0.187314 TIMING: 1590600 CPU: 4968.53, 0.00312486/step Wall: 4968.53, 0.00312486/step, 2.95941 hours remaining, 233.742188 MB of memory in use. ENERGY: 1590600 3950.1011 20551.5708 14432.9975 244.0393 -203953.2201 3161.8482 0.0000 0.0000 51920.7269 -109691.9362 298.3891 -161612.6632 -109332.0265 298.4413 170.7221 204.4696 761270.7554 17.3844 17.2587 PRESSURE: 1590800 -197.833 -70.0385 -19.8023 -70.0379 29.5879 207.623 -19.8023 207.623 -0.0718563 GPRESSURE: 1590800 -85.9673 2.28186 -57.4536 -67.6036 1.25623 167.586 -170.854 148.721 15.1872 PRESSAVG: 1590800 -31.4817 -0.24469 -66.2729 -0.244676 11.9147 5.43083 -66.2729 5.43083 17.183 GPRESSAVG: 1590800 -32.2882 -1.71469 -67.0925 0.524392 13.4257 3.68271 -66.9443 4.49592 16.6633 TIMING: 1590800 CPU: 4969.15, 0.0031144/step Wall: 4969.15, 0.0031144/step, 2.94934 hours remaining, 233.742188 MB of memory in use. ENERGY: 1590800 4004.5285 20481.8138 14461.1511 245.2849 -203073.1273 2565.2992 0.0000 0.0000 51616.8883 -109698.1615 296.6430 -161315.0498 -109329.1265 298.1431 -56.1058 -23.1746 761685.1567 -0.7947 -0.7331 PRESSURE: 1591000 -162.494 -47.3782 -313.976 -47.3779 -124.29 -138.698 -313.976 -138.7 -125.281 GPRESSURE: 1591000 -161.533 -133.04 -271.023 11.2995 -142.88 41.1915 -283.246 -90.669 -26.1241 PRESSAVG: 1591000 8.11049 -19.9316 29.7501 -19.9315 40.536 12.1017 29.7501 12.1017 -11.0345 GPRESSAVG: 1591000 8.62342 -20.7218 30.4791 -19.792 38.5941 14.1891 29.0011 13.3763 -9.98002 TIMING: 1591000 CPU: 4969.78, 0.00312459/step Wall: 4969.78, 0.00312459/step, 2.95881 hours remaining, 233.742188 MB of memory in use. ENERGY: 1591000 4013.3831 20498.4082 14429.8752 244.9374 -202840.3700 2336.6270 0.0000 0.0000 51755.4424 -109561.6967 297.4392 -161317.1392 -109212.6378 298.0087 -137.3551 -110.1791 762863.8572 12.5373 12.4125 PRESSURE: 1591200 372.271 99.1245 -381.792 99.1245 140.035 -53.4235 -381.792 -53.4236 84.6365 GPRESSURE: 1591200 433.704 106.292 -327.142 81.3775 210.642 56.5691 -342.629 -141.118 38.5896 PRESSAVG: 1591200 12.9102 -16.8046 -42.2122 -16.8046 -8.24525 2.29507 -42.2123 2.29504 9.34559 GPRESSAVG: 1591200 12.4902 -16.3278 -42.347 -18.2743 -7.11001 2.2287 -40.3089 3.1382 8.85307 TIMING: 1591200 CPU: 4970.41, 0.00313611/step Wall: 4970.41, 0.00313611/step, 2.96955 hours remaining, 233.742188 MB of memory in use. ENERGY: 1591200 4006.5698 20327.9871 14390.4743 235.5500 -203400.9543 2944.8576 0.0000 0.0000 51892.3308 -109603.1847 298.2259 -161495.5155 -109250.0167 298.5789 198.9808 227.6451 761892.2475 4.6702 4.7444 PRESSURE: 1591400 -415.226 -93.0034 -153.858 -93.0046 -117.83 -154.952 -153.858 -154.952 -233.637 GPRESSURE: 1591400 -334.404 -231.514 -129.362 -67.6985 -65.2189 -130.507 -50.3749 -156.521 -315.767 PRESSAVG: 1591400 12.3743 7.96924 1.27776 7.96924 -9.44566 -43.8486 1.27777 -43.8487 1.03642 GPRESSAVG: 1591400 11.5579 7.59739 2.45943 8.92749 -8.32361 -44.1798 0.774475 -44.5016 0.454883 TIMING: 1591400 CPU: 4971.03, 0.00313188/step Wall: 4971.03, 0.00313188/step, 2.96536 hours remaining, 233.742188 MB of memory in use. ENERGY: 1591400 3985.5213 20419.7840 14420.8836 232.6833 -203293.0438 2506.3993 0.0000 0.0000 52180.7571 -109547.0151 299.8835 -161727.7723 -109188.2123 298.7352 -255.5644 -238.4634 762104.5663 1.3217 1.2297 PRESSURE: 1591600 157.274 -90.3317 51.5853 -90.3318 -267.488 30.8385 51.5852 30.838 10.7309 GPRESSURE: 1591600 122.993 -94.4829 144.268 -40.5222 -208.44 9.39472 12.848 -73.1835 56.7856 PRESSAVG: 1591600 9.98536 -30.5708 -14.1068 -30.5709 -18.921 14.9147 -14.1069 14.9147 2.6807 GPRESSAVG: 1591600 9.79572 -29.1854 -14.6204 -31.0056 -20.0703 13.1629 -14.0426 15.7992 3.92617 TIMING: 1591600 CPU: 4971.65, 0.00311205/step Wall: 4971.65, 0.00311205/step, 2.94642 hours remaining, 233.742188 MB of memory in use. ENERGY: 1591600 3923.8285 20442.6207 14454.8942 252.9273 -203214.0143 2567.8446 0.0000 0.0000 51918.8704 -109653.0286 298.3785 -161571.8990 -109283.7874 298.7555 -33.1610 -9.5537 763213.6791 -2.0850 -2.1161 PRESSURE: 1591800 -286.984 10.7118 203.558 10.712 236.981 -61.1648 203.559 -61.1648 -136.697 GPRESSURE: 1591800 -275.308 -31.4961 198.198 18.853 270.715 -67.1096 36.1346 -70.7151 -78.2022 PRESSAVG: 1591800 8.23325 -55.0232 61.6008 -55.0232 -22.7389 67.1972 61.6008 67.1972 25.7283 GPRESSAVG: 1591800 9.79544 -53.1611 59.7001 -55.7807 -22.2827 68.6336 61.5151 67.489 24.0399 TIMING: 1591800 CPU: 4972.28, 0.00311961/step Wall: 4972.28, 0.00311961/step, 2.95341 hours remaining, 233.742188 MB of memory in use. ENERGY: 1591800 3985.6143 20505.6618 14405.4057 246.1785 -203417.6326 2651.7004 0.0000 0.0000 52036.9728 -109586.0991 299.0572 -161623.0719 -109227.7080 298.4006 -62.2330 -27.5985 761684.8012 3.7409 3.8509 PRESSURE: 1592000 161.467 53.2398 244.425 53.2402 -529.807 -141.218 244.425 -141.218 -403.425 GPRESSURE: 1592000 162.408 83.2386 159.743 39.5831 -422.476 -124.373 154.042 -68.0624 -408.758 PRESSAVG: 1592000 31.3908 23.1183 11.4142 23.1183 -41.7327 -19.4781 11.4143 -19.4781 4.2051 GPRESSAVG: 1592000 29.7075 22.5725 11.891 21.3527 -41.8671 -20.3161 11.9919 -20.0398 5.80034 TIMING: 1592000 CPU: 4972.9, 0.00311673/step Wall: 4972.9, 0.00311673/step, 2.95051 hours remaining, 233.742188 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: 1592000 3951.3412 20399.1624 14380.2677 245.5289 -203175.7399 2290.6625 0.0000 0.0000 52177.7337 -109731.0435 299.8662 -161908.7773 -109361.1770 298.2483 -257.2547 -222.9421 762393.4525 -2.0456 -2.1198 PRESSURE: 1592200 -122.389 -85.554 252.294 -85.554 143.902 34.5982 252.295 34.5988 310.811 GPRESSURE: 1592200 33.0266 -151.686 212.355 -76.1651 91.7579 -52.586 291.466 -22.4896 290.013 PRESSAVG: 1592200 4.09439 48.5934 61.1266 48.5934 -12.4381 0.565649 61.1265 0.565681 19.3126 GPRESSAVG: 1592200 5.52149 47.9281 61.7342 51.7757 -12.59 2.28395 61.004 0.135201 18.3867 TIMING: 1592200 CPU: 4973.53, 0.00311818/step Wall: 4973.53, 0.00311818/step, 2.95171 hours remaining, 233.742188 MB of memory in use. ENERGY: 1592200 4023.7723 20518.0807 14418.5949 232.3452 -203728.6117 2829.6347 0.0000 0.0000 52178.5276 -109527.6562 299.8707 -161706.1839 -109162.8286 298.6554 110.7747 138.2658 761803.2984 3.6563 3.7727 LDB: ============= START OF LOAD BALANCING ============== 4986 LDB: ============== END OF LOAD BALANCING =============== 4986 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4986.01 LDB: ============= START OF LOAD BALANCING ============== 4986.32 LDB: Largest compute 6971 load 0.029790 is 15.3% of average load 0.195118 LDB: Average compute 0.004388 is 2.2% of average load 0.195118 LDB: TIME 4986.32 LOAD: AVG 0.195118 MAX 0.214085 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.742 MB LDB: TIME 4986.32 LOAD: AVG 0.195118 MAX 0.214085 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.742 MB LDB: TIME 4986.32 LOAD: AVG 0.195118 MAX 0.214085 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.742 MB LDB: ============== END OF LOAD BALANCING =============== 4986.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 4986.33 Info: useSync: 0 useProxySync: 0 PRESSURE: 1592400 -400.943 -0.783161 181.844 -0.783151 -142.589 152.694 181.844 152.694 -0.371695 GPRESSURE: 1592400 -440.873 -54.8258 176.319 -21.2451 -102.029 65.9659 174.644 151.958 59.8878 PRESSAVG: 1592400 21.9543 -36.404 14.3551 -36.4041 5.18331 -13.8912 14.3551 -13.8913 -6.94586 GPRESSAVG: 1592400 21.5275 -35.2207 13.6036 -38.2518 5.0225 -16.5791 15.393 -13.56 -6.61587 TIMING: 1592400 CPU: 4974.17, 0.00320591/step Wall: 4974.17, 0.00320591/step, 3.03457 hours remaining, 233.742188 MB of memory in use. ENERGY: 1592400 4029.8676 20435.5242 14451.5348 242.1955 -203308.8413 2584.6126 0.0000 0.0000 52197.2634 -109367.8432 299.9784 -161565.1066 -108993.0367 298.7376 -181.3013 -161.0047 762408.8125 6.7306 6.6447 PRESSURE: 1592600 -33.7257 179.062 -199.386 179.063 -400.162 98.6297 -199.386 98.6301 -15.4857 GPRESSURE: 1592600 -4.35083 225.645 -185.32 214.197 -279.247 42.6618 -194.301 207.022 -63.7708 PRESSAVG: 1592600 -38.9755 -16.7687 57.21 -16.7687 36.7849 58.9915 57.2099 58.9915 39.3794 GPRESSAVG: 1592600 -39.7904 -17.8526 58.5885 -13.9363 38.5793 60.0592 55.8205 58.851 38.9364 TIMING: 1592600 CPU: 4974.79, 0.0031378/step Wall: 4974.79, 0.0031378/step, 2.96992 hours remaining, 233.945312 MB of memory in use. ENERGY: 1592600 3938.9680 20330.6572 14381.5971 269.3427 -202801.4926 2518.4189 0.0000 0.0000 52062.5154 -109299.9933 299.2040 -161362.5087 -108941.8941 299.0970 -149.7912 -115.7894 762372.4382 12.3963 12.5751 PRESSURE: 1592800 -378.068 22.1259 -164.038 22.1255 -280.072 -33.3488 -164.038 -33.3492 352.843 GPRESSURE: 1592800 -318.172 -134.356 -113.175 132.801 -262.662 14.1282 -19.374 -88.0915 370.261 PRESSAVG: 1592800 33.6331 -1.91397 14.8155 -1.91401 -21.4995 3.87679 14.8156 3.87672 8.90792 GPRESSAVG: 1592800 34.2202 -2.67254 14.3991 -3.00894 -23.2535 4.23322 16.4 2.01433 9.30889 TIMING: 1592800 CPU: 4975.42, 0.00313533/step Wall: 4975.42, 0.00313533/step, 2.96741 hours remaining, 233.945312 MB of memory in use. ENERGY: 1592800 4060.9358 20649.7418 14386.8546 258.8005 -202640.5942 2285.8648 0.0000 0.0000 51883.7222 -109114.6745 298.1765 -160998.3967 -108751.4770 299.0715 -101.7659 -70.1910 763269.7803 7.0139 6.7585 PRESSURE: 1593000 123.199 -13.8621 136.092 -13.8614 177.078 164.145 136.092 164.145 -164.134 GPRESSURE: 1593000 130.809 5.42658 172.07 58.622 313.456 170.178 106.749 102.233 -225.272 PRESSAVG: 1593000 28.0735 5.12439 15.8772 5.12436 -18.7992 3.43267 15.8772 3.4327 -20.2497 GPRESSAVG: 1593000 27.358 4.23357 16.6014 4.62554 -17.5858 1.50851 14.9471 3.66341 -20.7095 TIMING: 1593000 CPU: 4976.05, 0.00313906/step Wall: 4976.05, 0.00313906/step, 2.97077 hours remaining, 233.945312 MB of memory in use. ENERGY: 1593000 4011.0231 20727.2399 14473.0139 248.9176 -203505.2181 2871.5948 0.0000 0.0000 51953.9964 -109219.4323 298.5803 -161173.4288 -108857.5101 299.2719 45.3809 72.9980 763661.6317 -3.6584 -3.6458 PRESSURE: 1593200 -340.554 66.0051 210.446 66.0056 -125.97 144.516 210.445 144.517 106.168 GPRESSURE: 1593200 -224.658 -29.6819 259.233 146.765 -104.352 113.353 168.067 167.621 63.2929 PRESSAVG: 1593200 5.67604 -29.7066 24.4387 -29.7065 -44.5076 -14.7563 24.4387 -14.7563 5.93737 GPRESSAVG: 1593200 6.84228 -28.6392 23.9394 -29.4382 -45.6927 -12.4191 23.0811 -13.0969 6.24884 TIMING: 1593200 CPU: 4976.68, 0.00313997/step Wall: 4976.68, 0.00313997/step, 2.97146 hours remaining, 233.945312 MB of memory in use. ENERGY: 1593200 4043.4497 20574.8198 14425.0960 234.7513 -203083.3293 2535.2037 0.0000 0.0000 52250.5145 -109019.4943 300.2844 -161270.0089 -108663.7974 299.6059 -120.1188 -88.5723 765185.0862 -10.9647 -10.8672 PRESSURE: 1593400 -332.155 12.8225 -63.084 12.8227 130.296 196.626 -63.0842 196.627 -315.263 GPRESSURE: 1593400 -292.883 142.823 -37.0493 -62.2004 169.533 116.35 -160.796 269.208 -301.796 PRESSAVG: 1593400 4.15793 53.5473 20.9447 53.5474 -42.0423 -28.7004 20.9447 -28.7003 9.20734 GPRESSAVG: 1593400 3.4294 54.3302 18.4105 53.7721 -41.995 -28.9797 21.2627 -27.5744 9.88495 TIMING: 1593400 CPU: 4977.3, 0.00312656/step Wall: 4977.3, 0.00312656/step, 2.9586 hours remaining, 233.945312 MB of memory in use. ENERGY: 1593400 4067.3353 20416.5332 14376.1152 261.7800 -202833.9660 2716.2180 0.0000 0.0000 51815.2956 -109180.6887 297.7832 -160995.9843 -108815.4214 298.8522 -172.3741 -141.7153 762926.9460 -9.5590 -9.5602 PRESSURE: 1593600 -79.7697 17.5692 -78.5617 17.5691 -534.924 274.312 -78.5619 274.312 20.8612 GPRESSURE: 1593600 -107.722 97.8856 -169.119 12.6052 -387.865 195.564 -11.7153 254.299 -4.14222 PRESSAVG: 1593600 -76.8171 78.5359 -32.9621 78.5358 46.3356 33.3658 -32.9621 33.3658 12.813 GPRESSAVG: 1593600 -75.8394 77.592 -31.4541 78.2668 46.3987 31.6606 -30.598 33.0211 12.0219 TIMING: 1593600 CPU: 4977.92, 0.0031014/step Wall: 4977.92, 0.0031014/step, 2.93461 hours remaining, 233.945312 MB of memory in use. ENERGY: 1593600 4075.9245 20426.6580 14433.8736 261.1607 -202868.7699 2637.1205 0.0000 0.0000 51973.3385 -109060.6941 298.6915 -161034.0326 -108700.6878 299.0239 -197.9442 -166.5764 763818.0056 -5.8895 -5.8062 PRESSURE: 1593800 236.566 26.1045 -169.516 26.1041 31.454 -117.541 -169.516 -117.54 121.56 GPRESSURE: 1593800 279.776 133.183 -195.304 40.4664 4.48651 -154.598 -119.794 -125.2 174.734 PRESSAVG: 1593800 -42.3349 29.9004 7.3429 29.9004 43.8564 29.5788 7.34291 29.5787 -13.3389 GPRESSAVG: 1593800 -42.8998 30.8727 7.17421 28.8164 43.8511 31.5631 5.87038 27.4837 -12.665 TIMING: 1593800 CPU: 4978.55, 0.00311537/step Wall: 4978.55, 0.00311537/step, 2.94765 hours remaining, 233.945312 MB of memory in use. ENERGY: 1593800 3936.5284 20368.2779 14470.0972 247.1105 -202884.2606 2715.2501 0.0000 0.0000 51920.4041 -109226.5924 298.3873 -161146.9966 -108873.0386 298.8005 129.8601 152.9986 763944.0564 -3.9391 -3.9046 PRESSURE: 1594000 -117.157 -170.273 -98.071 -170.273 -176.083 -35.7375 -98.0704 -35.7378 -231.3 GPRESSURE: 1594000 -69.3293 -230.413 -87.8513 -43.6954 -129.421 -8.4877 -75.894 -67.9241 -259.573 PRESSAVG: 1594000 6.25116 -57.1932 -36.9536 -57.1932 -13.7632 2.69985 -36.9536 2.69989 5.42767 GPRESSAVG: 1594000 5.52752 -57.7947 -37.9874 -57.7222 -13.0759 3.48235 -35.9772 3.28432 5.37903 TIMING: 1594000 CPU: 4979.17, 0.00313316/step Wall: 4979.17, 0.00313316/step, 2.96431 hours remaining, 233.945312 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: 1594000 4002.5703 20653.7637 14440.0078 241.2025 -202970.1579 2453.5567 0.0000 0.0000 51980.2321 -109198.8248 298.7311 -161179.0569 -108844.3492 298.5150 -174.8470 -152.7743 765521.9201 -0.6948 -0.7231 PRESSURE: 1594200 -411.338 125.334 -95.1469 125.333 62.8022 210.104 -95.146 210.105 8.57437 GPRESSURE: 1594200 -339.667 125.195 -62.105 125.061 45.4359 122.89 -181.944 265.363 30.6863 PRESSAVG: 1594200 -11.4613 15.8629 -62.4524 15.8629 -4.68965 29.704 -62.4524 29.7041 12.4594 GPRESSAVG: 1594200 -9.82556 15.9128 -62.2069 16.0422 -5.53971 28.9191 -63.6798 32.0198 11.5706 TIMING: 1594200 CPU: 4979.8, 0.00312758/step Wall: 4979.8, 0.00312758/step, 2.95886 hours remaining, 233.945312 MB of memory in use. ENERGY: 1594200 3983.4734 20513.8279 14491.9526 240.8656 -203444.8011 2850.1850 0.0000 0.0000 52022.4917 -109342.0050 298.9740 -161364.4966 -108977.9714 298.7625 -113.3206 -87.8484 762531.6477 -1.2305 -1.2649 PRESSURE: 1594400 -214.31 -71.618 -91.2318 -71.6184 55.4648 167.626 -91.2311 167.626 -393.325 GPRESSURE: 1594400 -135.051 -110.904 -82.3202 -59.0618 127.15 150.488 -129.85 91.188 -438.517 PRESSAVG: 1594400 -21.4522 -15.4256 14.6336 -15.4257 13.3141 35.7574 14.6337 35.7575 -26.1658 GPRESSAVG: 1594400 -22.1347 -14.1487 16.1288 -15.1001 13.7582 35.7605 13.6243 32.0799 -25.6751 TIMING: 1594400 CPU: 4980.42, 0.00312203/step Wall: 4980.42, 0.00312203/step, 2.95344 hours remaining, 233.945312 MB of memory in use. ENERGY: 1594400 4040.2460 20494.3245 14473.4570 261.5005 -202996.2871 2595.5035 0.0000 0.0000 51974.2646 -109156.9909 298.6968 -161131.2555 -108798.5248 298.5785 -184.0568 -148.8058 763038.0811 -11.4346 -11.3505 PRESSURE: 1594600 26.1827 166.155 19.8711 166.154 148.204 -290.442 19.87 -290.442 429.214 GPRESSURE: 1594600 158.073 156.318 -4.17831 176.088 71.6982 -263.776 -68.7889 -244.761 450.421 PRESSAVG: 1594600 -25.6825 57.5533 -17.2471 57.5533 41.8225 14.7325 -17.247 14.7324 1.25112 GPRESSAVG: 1594600 -27.0881 57.6745 -16.5181 57.4607 43.015 15.7906 -17.4982 15.5575 2.13745 TIMING: 1594600 CPU: 4981.05, 0.00312736/step Wall: 4981.05, 0.00312736/step, 2.95831 hours remaining, 233.945312 MB of memory in use. ENERGY: 1594600 3909.5137 20450.9327 14497.3419 260.2224 -203363.9632 3031.3161 0.0000 0.0000 52022.0794 -109192.5570 298.9716 -161214.6364 -108827.1123 299.3791 201.2002 226.7309 762202.5989 5.7970 6.0215 PRESSURE: 1594800 -47.688 26.1754 -8.52806 26.1761 76.1529 44.6721 -8.5276 44.6723 -17.1823 GPRESSURE: 1594800 -10.0829 -121.196 -23.6072 64.4677 82.1293 -4.60749 120.031 -54.4066 30.6221 PRESSAVG: 1594800 -8.49456 -2.12478 -19.055 -2.12489 33.2535 -44.3476 -19.055 -44.3475 7.21717 GPRESSAVG: 1594800 -7.35725 -3.41968 -20.5494 -1.56851 32.9712 -45.5615 -17.0195 -44.397 6.08911 TIMING: 1594800 CPU: 4981.67, 0.00311913/step Wall: 4981.67, 0.00311913/step, 2.95035 hours remaining, 233.945312 MB of memory in use. ENERGY: 1594800 4003.7479 20571.3703 14461.3446 238.9460 -203504.4838 2966.0370 0.0000 0.0000 52013.7784 -109249.2596 298.9239 -161263.0380 -108893.3887 298.8999 3.7609 34.2228 760480.1959 10.6587 10.5677 PRESSURE: 1595000 63.2447 -214.172 -195.36 -214.172 198.292 -52.1609 -195.361 -52.161 284.849 GPRESSURE: 1595000 157.785 -89.1482 -238.007 -203.231 254.116 -52.5584 -263.136 -56.3277 216.285 PRESSAVG: 1595000 11.9027 23.4388 58.69 23.4388 -35.1077 11.2017 58.6901 11.2017 0.245678 GPRESSAVG: 1595000 13.1325 25.3948 58.7482 22.6338 -35.339 9.74911 55.8533 9.95849 -0.0876589 TIMING: 1595000 CPU: 4982.29, 0.0031177/step Wall: 4982.29, 0.0031177/step, 2.94883 hours remaining, 233.945312 MB of memory in use. ENERGY: 1595000 3916.4546 20480.2773 14410.0044 240.6990 -203144.9376 2627.5084 0.0000 0.0000 52325.3440 -109144.6498 300.7145 -161469.9939 -108780.4920 299.1372 182.1285 209.3952 763870.1294 -7.6531 -7.4314 PRESSURE: 1595200 -212.085 22.1749 215.57 22.1753 -109.977 386.171 215.57 386.171 186.781 GPRESSURE: 1595200 -99.2694 24.5713 190.103 -79.2488 -155.162 309.606 111.579 367.673 191.653 PRESSAVG: 1595200 9.00501 75.5389 -38.8473 75.5389 -33.6253 1.81141 -38.8472 1.81134 14.7859 GPRESSAVG: 1595200 6.31648 75.3791 -39.2256 76.6648 -32.0882 2.52894 -36.4837 3.26222 15.6689 TIMING: 1595200 CPU: 4982.92, 0.00312983/step Wall: 4982.92, 0.00312983/step, 2.96013 hours remaining, 233.945312 MB of memory in use. ENERGY: 1595200 4028.5698 20406.2356 14492.5612 244.4140 -203261.2610 2699.7940 0.0000 0.0000 52299.2816 -109090.4049 300.5647 -161389.6864 -108725.3304 299.4162 -45.0936 -20.9260 762183.4481 -3.2781 -3.3676 PRESSURE: 1595400 -387.781 106.072 22.4267 106.071 -98.2141 -1.29263 22.4264 -1.29282 -61.5005 GPRESSURE: 1595400 -282.207 187.396 111.555 85.5121 -120.726 24.6739 -34.954 18.3656 -34.1929 PRESSAVG: 1595400 49.4739 53.631 -13.3085 53.631 -35.1204 -39.2119 -13.3086 -39.2118 -16.3882 GPRESSAVG: 1595400 51.8193 53.3843 -12.5025 51.5581 -37.0174 -38.1115 -12.9842 -38.3874 -16.8957 TIMING: 1595400 CPU: 4983.55, 0.00312805/step Wall: 4983.55, 0.00312805/step, 2.95826 hours remaining, 233.945312 MB of memory in use. ENERGY: 1595400 4014.1239 20517.0043 14404.2885 234.9828 -203270.5644 2755.6422 0.0000 0.0000 51990.0197 -109354.5029 298.7874 -161344.5227 -108999.7084 299.6102 -182.4985 -145.7085 763611.4475 -0.6782 -0.6979 PRESSURE: 1595600 -148.879 1.98881 -24.0236 1.98979 -216.563 17.4626 -24.024 17.4626 -41.5531 GPRESSURE: 1595600 -62.343 25.3072 -48.047 75.112 -214.539 -51.402 -57.4286 40.0585 -42.0783 PRESSAVG: 1595600 8.54999 46.6846 16.8634 46.6846 13.0991 19.8056 16.8634 19.8055 15.6296 GPRESSAVG: 1595600 8.28367 45.912 16.2521 48.1526 12.9809 18.6083 17.9354 20.3015 15.9873 TIMING: 1595600 CPU: 4984.17, 0.00311265/step Wall: 4984.17, 0.00311265/step, 2.94353 hours remaining, 233.945312 MB of memory in use. ENERGY: 1595600 3934.5119 20386.9774 14391.2627 249.2854 -204056.6598 3449.8329 0.0000 0.0000 52159.9256 -109484.8638 299.7638 -161644.7895 -109120.4969 298.5020 -135.6651 -106.3201 764174.4574 12.4263 12.4173 PRESSURE: 1595800 -335.448 95.3335 165.853 95.3335 -230.698 -33.1621 165.853 -33.1629 -415.128 GPRESSURE: 1595800 -348.469 -10.5677 137.79 28.7717 -198.666 2.01409 138.883 -15.5887 -349.873 PRESSAVG: 1595800 -8.08772 38.5755 -1.46459 38.5755 -25.2269 -41.4282 -1.46453 -41.4282 11.644 GPRESSAVG: 1595800 -8.36519 38.6439 -2.85559 38.9183 -24.619 -40.4984 -4.67105 -43.8431 11.37 TIMING: 1595800 CPU: 4984.79, 0.00311277/step Wall: 4984.79, 0.00311277/step, 2.94347 hours remaining, 233.945312 MB of memory in use. ENERGY: 1595800 4028.7371 20606.5899 14379.3233 237.6520 -203336.7171 2824.9952 0.0000 0.0000 51815.8215 -109443.5981 297.7862 -161259.4196 -109093.8907 298.4530 -327.0911 -299.0026 765658.9858 -7.2235 -7.2047 PRESSURE: 1596000 83.3411 21.081 15.2029 21.0812 93.7433 -78.3105 15.2031 -78.3098 -0.640694 GPRESSURE: 1596000 113.076 39.1798 -38.9132 -5.10488 116.824 -160.327 29.9984 63.1324 19.9887 PRESSAVG: 1596000 0.214628 62.9774 41.0858 62.9774 14.5294 -17.5887 41.0858 -17.5886 1.46025 GPRESSAVG: 1596000 0.82741 62.3891 42.6383 62.6507 13.5463 -18.7609 41.8153 -16.2895 1.47433 TIMING: 1596000 CPU: 4985.42, 0.00312102/step Wall: 4985.42, 0.00312102/step, 2.9511 hours remaining, 233.945312 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: 1596000 3991.1992 20467.4187 14397.2516 238.1031 -203227.0073 2760.5397 0.0000 0.0000 52101.8624 -109270.6326 299.4301 -161372.4950 -108910.4859 298.3466 58.8146 83.2964 762787.3678 5.4014 5.2827 PRESSURE: 1596200 -168.638 -17.9042 76.9802 -17.9041 -247.6 83.3001 76.9802 83.299 -17.0503 GPRESSURE: 1596200 -207.699 37.1639 31.1884 -39.8319 -189.376 10.0576 -60.179 42.4568 59.9163 PRESSAVG: 1596200 2.22519 81.7207 -4.26702 81.7207 -18.2541 47.196 -4.26705 47.196 22.6022 GPRESSAVG: 1596200 1.45489 82.5159 -4.83251 81.0524 -17.2301 47.5659 -3.26946 46.7913 22.6013 TIMING: 1596200 CPU: 4986.04, 0.00311849/step Wall: 4986.04, 0.00311849/step, 2.94853 hours remaining, 233.945312 MB of memory in use. ENERGY: 1596200 3965.3268 20502.9295 14417.3502 257.8331 -203049.4783 2628.6459 0.0000 0.0000 52134.2879 -109143.1048 299.6165 -161277.3927 -108782.3042 298.4413 -144.4295 -112.3862 765005.0748 2.1911 2.2754 LDB: ============= START OF LOAD BALANCING ============== 4998.52 LDB: ============== END OF LOAD BALANCING =============== 4998.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4998.52 LDB: ============= START OF LOAD BALANCING ============== 4998.83 LDB: Largest compute 7052 load 0.028065 is 14.4% of average load 0.195110 LDB: Average compute 0.004367 is 2.2% of average load 0.195110 LDB: TIME 4998.83 LOAD: AVG 0.19511 MAX 0.218051 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 4998.83 LOAD: AVG 0.19511 MAX 0.218051 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: TIME 4998.83 LOAD: AVG 0.19511 MAX 0.217692 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: ============== END OF LOAD BALANCING =============== 4998.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4998.84 PRESSURE: 1596400 27.9084 -19.2618 94.649 -19.2621 304.071 86.6352 94.6491 86.635 61.8861 GPRESSURE: 1596400 133.13 -68.4025 12.036 15.1111 332.103 40.6477 100.49 23.5322 12.3104 PRESSAVG: 1596400 -16.7447 -13.719 38.6822 -13.719 29.2989 -43.1543 38.6822 -43.1542 -0.100947 GPRESSAVG: 1596400 -16.9075 -13.4984 39.3732 -12.6015 28.5111 -43.0159 37.7977 -44.1736 0.399423 TIMING: 1596400 CPU: 4986.68, 0.00318178/step Wall: 4986.68, 0.00318178/step, 3.0082 hours remaining, 235.281250 MB of memory in use. ENERGY: 1596400 3971.1989 20542.8778 14461.0690 246.0483 -203481.8698 2910.9093 0.0000 0.0000 52101.3490 -109248.4175 299.4272 -161349.7665 -108888.5841 299.3157 131.2884 159.1812 762392.7957 4.1511 4.0010 PRESSURE: 1596600 -214.72 -0.305745 75.5288 -0.306111 -216.307 -56.9838 75.5283 -56.9833 -12.1261 GPRESSURE: 1596600 -98.2469 63.4651 89.8977 11.2069 -246.141 -72.7279 84.0376 -192.279 -25.1953 PRESSAVG: 1596600 34.6617 70.8895 49.3671 70.8895 -55.1585 49.0724 49.3671 49.0724 10.6842 GPRESSAVG: 1596600 35.1058 68.9836 47.4768 70.8714 -54.9712 48.7753 51.6761 50.7581 10.0692 TIMING: 1596600 CPU: 4987.3, 0.00312204/step Wall: 4987.3, 0.00312204/step, 2.95154 hours remaining, 235.281250 MB of memory in use. ENERGY: 1596600 3982.6622 20588.3817 14405.0432 261.4115 -203172.8890 2861.7960 0.0000 0.0000 52001.0530 -109072.5414 298.8508 -161073.5944 -108704.6727 299.1250 -147.7178 -123.1945 764476.4194 -3.2709 -3.2654 PRESSURE: 1596800 235.84 -6.00191 -94.9691 -6.00221 -235.604 -197.647 -94.9692 -197.647 412.643 GPRESSURE: 1596800 271.606 55.3281 -93.8937 22.3076 -130.13 -214.986 -113.21 -149.059 377.575 PRESSAVG: 1596800 25.523 -29.5379 9.47723 -29.5379 -6.14891 12.3556 9.47721 12.3555 -4.18335 GPRESSAVG: 1596800 24.0484 -28.1453 12.4058 -30.1425 -5.68739 12.48 5.98434 12.2354 -3.34618 TIMING: 1596800 CPU: 4987.93, 0.00313405/step Wall: 4987.93, 0.00313404/step, 2.96272 hours remaining, 235.281250 MB of memory in use. ENERGY: 1596800 3996.7544 20375.9788 14404.9650 242.9672 -202826.8621 2665.7280 0.0000 0.0000 52040.7520 -109099.7167 299.0789 -161140.4687 -108739.0279 299.2546 137.6262 173.0168 765217.2531 5.0636 5.0050 PRESSURE: 1597000 -0.410554 0.334413 -72.602 0.334644 151.843 153.992 -72.6025 153.993 77.8017 GPRESSURE: 1597000 61.064 56.4202 -126.879 94.6149 184.726 133.455 -115.668 137.945 83.4676 PRESSAVG: 1597000 -36.1646 14.6867 -11.7898 14.6867 7.3 5.16002 -11.7898 5.16006 19.2712 GPRESSAVG: 1597000 -35.5649 13.2911 -13.4644 17.5189 6.20896 3.74036 -11.0958 4.43211 20.0195 TIMING: 1597000 CPU: 4988.55, 0.00312048/step Wall: 4988.55, 0.00312048/step, 2.94972 hours remaining, 235.281250 MB of memory in use. ENERGY: 1597000 4039.7406 20602.7709 14277.6675 241.9739 -203091.9748 2705.9443 0.0000 0.0000 52207.0265 -109016.8512 300.0345 -161223.8777 -108661.6956 299.3855 76.4115 109.7526 763893.4900 -3.1978 -3.1121 PRESSURE: 1597200 -415.499 -40.8064 31.1167 -40.8059 -62.6498 135.252 31.1171 135.251 -192.118 GPRESSURE: 1597200 -214.423 -14.3998 24.5131 -46.6519 -119.135 36.7137 75.1919 130.633 -258.246 PRESSAVG: 1597200 -7.13494 20.5175 12.2132 20.5175 1.03972 60.3897 12.2132 60.3897 -1.90068 GPRESSAVG: 1597200 -5.35145 22.681 13.9642 18.8458 2.19637 62.699 14.2829 59.7513 -4.97816 TIMING: 1597200 CPU: 4989.17, 0.0031197/step Wall: 4989.17, 0.0031197/step, 2.94881 hours remaining, 235.281250 MB of memory in use. ENERGY: 1597200 4087.3238 20477.6007 14377.7659 251.8929 -202713.4749 2672.8963 0.0000 0.0000 51811.9656 -109034.0296 297.7641 -160845.9952 -108682.4141 298.9706 -223.4223 -197.2682 765550.3944 -2.6653 -2.7111 PRESSURE: 1597400 -280.113 98.5391 -77.2131 98.5405 173.805 -53.698 -77.2122 -53.6979 -36.525 GPRESSURE: 1597400 -193.645 27.2162 -27.4656 53.3992 98.0415 70.6924 -40.2396 -40.9887 34.5169 PRESSAVG: 1597400 -1.18994 -22.6845 -12.9961 -22.6845 4.94969 -11.6576 -12.9961 -11.6575 -15.8422 GPRESSAVG: 1597400 -2.16178 -23.9056 -13.3097 -21.2142 3.39623 -11.8606 -13.3468 -11.2326 -13.1651 TIMING: 1597400 CPU: 4989.8, 0.00312551/step Wall: 4989.8, 0.00312551/step, 2.95412 hours remaining, 235.281250 MB of memory in use. ENERGY: 1597400 4025.5999 20278.1231 14375.3793 219.0092 -202491.9639 2283.5868 0.0000 0.0000 52106.1576 -109204.1080 299.4548 -161310.2656 -108833.9543 299.5460 -47.6110 -20.3624 763244.1572 -4.0275 -3.9769 PRESSURE: 1597600 83.5779 -45.8708 -264.777 -45.8712 122.559 -104.804 -264.778 -104.805 -33.0567 GPRESSURE: 1597600 165.058 13.4944 -193.7 -43.7621 124.939 -89.4954 -245.428 -162.109 -33.4123 PRESSAVG: 1597600 -22.3095 -31.0347 23.5167 -31.0348 12.5588 3.12642 23.5167 3.12649 -10.8726 GPRESSAVG: 1597600 -22.2569 -30.5492 22.6834 -31.3768 13.1386 2.27169 22.1389 3.37048 -11.0305 TIMING: 1597600 CPU: 4990.42, 0.00312494/step Wall: 4990.42, 0.00312494/step, 2.95342 hours remaining, 235.281250 MB of memory in use. ENERGY: 1597600 4025.0283 20197.0963 14339.8322 262.4602 -202886.7787 2995.4996 0.0000 0.0000 51787.9082 -109278.9538 297.6258 -161066.8620 -108915.5380 298.9287 57.6933 85.5282 764606.3750 -6.8744 -6.7163 PRESSURE: 1597800 -30.593 37.5647 -116.036 37.564 32.839 -222.017 -116.036 -222.016 282.316 GPRESSURE: 1597800 83.6475 -2.85653 -48.9386 -53.0868 -2.20751 -171.726 -218.299 -235.77 298.862 PRESSAVG: 1597800 -32.6138 -34.0881 4.9002 -34.0881 44.6994 -75.9033 4.90024 -75.9033 -7.78531 GPRESSAVG: 1597800 -32.9499 -34.0478 6.24655 -34.0825 45.132 -75.7766 7.69143 -77.9553 -8.18545 TIMING: 1597800 CPU: 4991.05, 0.00311568/step Wall: 4991.05, 0.00311568/step, 2.94449 hours remaining, 235.281250 MB of memory in use. ENERGY: 1597800 3939.9105 20412.7627 14370.3207 258.9976 -203578.6023 3077.1688 0.0000 0.0000 51832.6882 -109686.7539 297.8832 -161519.4420 -109332.8407 297.9794 94.8539 126.7672 764063.4338 1.4334 1.3322 PRESSURE: 1598000 88.4028 -111.348 31.8977 -111.348 53.0284 -44.3881 31.8973 -44.3874 92.2257 GPRESSURE: 1598000 103.829 -139.804 70.6705 -115.243 101.535 -7.0062 28.2454 -36.3168 108.735 PRESSAVG: 1598000 7.05345 47.1623 4.73675 47.1623 35.1662 -26.6684 4.7367 -26.6684 2.14726 GPRESSAVG: 1598000 7.20324 46.7386 4.75976 46.7826 35.5796 -26.8892 3.22899 -23.9317 1.67164 TIMING: 1598000 CPU: 4991.67, 0.00311017/step Wall: 4991.67, 0.00311017/step, 2.93911 hours remaining, 235.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1598000 3953.3448 20295.7051 14340.3455 251.1557 -203390.5481 2961.0596 0.0000 0.0000 51869.5312 -109719.4062 298.0949 -161588.9374 -109349.6732 297.8265 77.8856 104.6998 763368.0152 14.7890 14.8182 PRESSURE: 1598200 -155.475 196.499 -7.46753 196.498 -393.692 -65.4197 -7.46772 -65.4206 -18.9098 GPRESSURE: 1598200 -215.184 118.657 4.96203 132.124 -309.657 -131.252 -12.8654 -102.306 38.9121 PRESSAVG: 1598200 -18.4399 39.8681 -28.7278 39.868 -7.60284 -31.3529 -28.7278 -31.3529 -8.02297 GPRESSAVG: 1598200 -19.9177 38.941 -28.5112 38.7271 -6.95055 -32.5835 -30.3843 -31.0452 -6.76081 TIMING: 1598200 CPU: 4992.29, 0.00311772/step Wall: 4992.29, 0.00311772/step, 2.94607 hours remaining, 235.281250 MB of memory in use. ENERGY: 1598200 3970.9668 20457.7334 14391.2175 236.0420 -203136.7323 2724.1298 0.0000 0.0000 52098.9367 -109257.7061 299.4133 -161356.6428 -108888.9950 298.0075 -189.3592 -161.9761 765911.3728 -11.3552 -11.2097 PRESSURE: 1598400 -25.0548 -274.207 -93.7313 -274.207 328.639 86.1171 -93.7303 86.1165 144.467 GPRESSURE: 1598400 18.5423 -162.504 -91.5659 -282.714 247.47 122.657 -142.728 60.9343 250.928 PRESSAVG: 1598400 -1.8051 12.0966 -43.3588 12.0966 34.7513 -47.1541 -43.3588 -47.1541 -7.45302 GPRESSAVG: 1598400 -0.656189 13.4485 -44.3361 14.069 34.1173 -44.6031 -42.8506 -50.4549 -8.25344 TIMING: 1598400 CPU: 4992.92, 0.00310861/step Wall: 4992.92, 0.00310861/step, 2.93729 hours remaining, 235.281250 MB of memory in use. ENERGY: 1598400 3945.5578 20389.9232 14403.6345 234.5281 -203190.4309 3044.2387 0.0000 0.0000 52149.5304 -109023.0182 299.7041 -161172.5486 -108664.3859 298.6750 149.3504 172.3133 764788.4922 8.4977 8.4026 PRESSURE: 1598600 -102.03 -33.6792 141.988 -33.6797 -18.6918 135.364 141.987 135.365 82.257 GPRESSURE: 1598600 -114.011 62.7821 72.4548 57.4275 73.578 98.2293 230.875 86.816 92.2148 PRESSAVG: 1598600 5.5343 -16.5484 -13.7973 -16.5484 -34.5821 -42.8791 -13.7974 -42.8792 -7.16413 GPRESSAVG: 1598600 5.67276 -16.3797 -13.9815 -17.9883 -33.695 -44.0074 -13.2275 -40.5555 -7.87856 TIMING: 1598600 CPU: 4993.54, 0.00314374/step Wall: 4993.54, 0.00314374/step, 2.97031 hours remaining, 235.281250 MB of memory in use. ENERGY: 1598600 4090.2693 20511.2542 14463.5571 250.3638 -203030.5996 2861.5844 0.0000 0.0000 51992.2607 -108861.3100 298.8002 -160853.5707 -108512.5020 299.3936 -12.8216 17.2605 764700.8048 -12.0706 -11.9669 PRESSURE: 1598800 -216.354 140.91 -98.1791 140.909 -40.4873 -0.793238 -98.1801 -0.794285 -167.07 GPRESSURE: 1598800 -230.77 138.395 -53.3218 230.209 11.5818 3.52117 -161.497 44.173 -86.6795 PRESSAVG: 1598800 13.0292 11.1392 -32.4332 11.1392 -27.8105 -74.3125 -32.4333 -74.3126 10.9356 GPRESSAVG: 1598800 13.2348 10.0195 -33.0221 12.3111 -28.1657 -76.3761 -32.9295 -73.3842 11.3647 TIMING: 1598800 CPU: 4994.17, 0.00313001/step Wall: 4994.17, 0.00313001/step, 2.95716 hours remaining, 235.281250 MB of memory in use. ENERGY: 1598800 4042.6944 20320.3357 14525.3878 258.3962 -203140.1289 2974.5308 0.0000 0.0000 52041.8061 -108976.9779 299.0850 -161018.7840 -108615.7826 299.5699 -141.3039 -101.9560 764346.9068 -1.2819 -1.1887 PRESSURE: 1599000 -164.938 108.064 -322.762 108.064 -171.867 -96.3 -322.762 -96.2992 -310.614 GPRESSURE: 1599000 -4.12283 -7.82816 -293.164 115.35 -152.13 -80.3468 -225.531 -35.9869 -378.364 PRESSAVG: 1599000 10.6954 12.5386 -66.9916 12.5387 3.36989 -76.8954 -66.9916 -76.8955 -5.17616 GPRESSAVG: 1599000 11.7599 12.1323 -66.9482 10.7057 2.9937 -75.367 -67.2131 -78.3003 -5.52819 TIMING: 1599000 CPU: 4994.79, 0.00310957/step Wall: 4994.79, 0.00310957/step, 2.93768 hours remaining, 235.281250 MB of memory in use. ENERGY: 1599000 4048.3898 20392.3120 14444.5734 248.5662 -202989.0433 2652.5919 0.0000 0.0000 52289.9661 -108912.6439 300.5112 -161202.6100 -108554.8670 299.7565 -215.8065 -178.2054 763045.2190 2.9630 3.0751 PRESSURE: 1599200 18.3568 121.211 89.111 121.211 -31.0016 118.498 89.1108 118.498 -277.871 GPRESSURE: 1599200 73.0583 127.033 55.8462 168.86 55.0733 68.0114 45.4034 82.1728 -319.581 PRESSAVG: 1599200 -4.35729 21.9517 -1.51252 21.9517 -30.4648 -61.1026 -1.5125 -61.1026 -19.9681 GPRESSAVG: 1599200 -4.63383 24.2031 -1.82151 22.5909 -30.8784 -61.7454 -2.6847 -58.8803 -19.4208 TIMING: 1599200 CPU: 4995.42, 0.00312364/step Wall: 4995.42, 0.00312364/step, 2.9508 hours remaining, 235.281250 MB of memory in use. ENERGY: 1599200 3981.1104 20432.0347 14531.7369 247.1719 -202874.4436 2863.8385 0.0000 0.0000 52005.9978 -108812.5535 298.8792 -160818.5513 -108448.8829 299.9500 -96.8386 -63.8165 764194.2940 -18.2634 -18.3110 PRESSURE: 1599400 -34.281 36.3002 -29.1669 36.2999 -73.3966 -277.028 -29.1672 -277.028 -466.834 GPRESSURE: 1599400 -5.86587 -72.6023 -38.3139 99.6962 -62.3406 -188.841 144.947 -332.464 -416.436 PRESSAVG: 1599400 -11.7534 52.1827 15.8953 52.1827 -11.8072 -24.2145 15.8952 -24.2145 3.54019 GPRESSAVG: 1599400 -12.1868 50.5712 16.9367 51.4619 -11.4741 -23.7739 18.5467 -25.0194 3.68987 TIMING: 1599400 CPU: 4996.04, 0.00312941/step Wall: 4996.04, 0.00312941/step, 2.95607 hours remaining, 235.281250 MB of memory in use. ENERGY: 1599400 3972.5722 20492.7972 14446.4870 251.1615 -202866.8317 2922.7956 0.0000 0.0000 52398.4967 -108382.5215 301.1349 -160781.0182 -108014.6321 299.9571 -191.5038 -161.5476 765929.0035 -6.6735 -6.6570 PRESSURE: 1599600 -7.89456 -89.304 -144.258 -89.3043 125.882 -84.5097 -144.258 -84.5097 -305.707 GPRESSURE: 1599600 24.5956 -60.1057 -48.2045 -9.15751 180.036 -97.9033 -127.452 -128.013 -317.034 PRESSAVG: 1599600 23.2821 7.97471 -8.30219 7.97461 -17.6866 -61.8721 -8.30208 -61.8721 4.08039 GPRESSAVG: 1599600 23.8187 7.4904 -8.09678 10.5172 -18.3048 -61.7144 -8.44376 -63.8133 4.10392 TIMING: 1599600 CPU: 4996.67, 0.00311346/step Wall: 4996.67, 0.00311346/step, 2.94084 hours remaining, 235.281250 MB of memory in use. ENERGY: 1599600 3956.4025 20397.6722 14353.6979 240.3637 -202727.2119 2728.0980 0.0000 0.0000 52474.4188 -108576.5589 301.5712 -161050.9777 -108209.1627 300.2425 -62.5731 -37.4676 765645.1272 3.2253 3.2059 PRESSURE: 1599800 87.8681 63.026 -32.8701 63.0277 -189.755 -225 -32.8699 -224.999 26.992 GPRESSURE: 1599800 96.6654 -55.1462 0.486316 20.2815 -113.127 -235.168 -80.1342 -202.9 19.6404 PRESSAVG: 1599800 -61.9966 -22.8198 -46.5572 -22.8199 16.2208 -39.5593 -46.5572 -39.5593 -14.0993 GPRESSAVG: 1599800 -62.5728 -21.8227 -47.0268 -23.4918 17.6504 -40.0532 -46.826 -36.1643 -14.8454 TIMING: 1599800 CPU: 4997.29, 0.0031056/step Wall: 4997.29, 0.0031056/step, 2.93324 hours remaining, 235.281250 MB of memory in use. ENERGY: 1599800 3952.9738 20435.6869 14568.9373 235.1316 -203012.9057 3000.6252 0.0000 0.0000 52117.5495 -108702.0013 299.5203 -160819.5508 -108337.8716 299.8385 -24.9649 1.0597 765193.7558 -19.9583 -19.9226 WRITING COORDINATES TO DCD FILE MD.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: 1600000 160.487 73.7759 127.287 73.7763 -112.111 -68.3626 127.287 -68.3627 -210.497 GPRESSURE: 1600000 71.029 26.4861 62.6796 202.587 -1.28939 -128.611 329.577 -15.0094 -162.325 PRESSAVG: 1600000 -49.9402 10.4255 28.2547 10.4255 39.7902 -54.8117 28.2547 -54.8118 11.8462 GPRESSAVG: 1600000 -49.3048 10.1703 29.2018 9.82183 39.8667 -55.6385 28.269 -54.1868 11.4033 TIMING: 1600000 CPU: 4997.97, 0.00341828/step Wall: 4997.97, 0.00341828/step, 3.22837 hours remaining, 235.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1600000 4041.6475 20444.8636 14442.4549 261.5020 -203059.3482 3074.8243 0.0000 0.0000 52139.5112 -108654.5447 299.6465 -160794.0559 -108293.3969 299.8678 -54.0406 -30.8616 764165.0644 0.5654 0.6550 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1600000 PRESSURE: 1600200 101.072 127.623 -80.7381 127.622 -280.46 36.1989 -80.7372 36.2 298.68 GPRESSURE: 1600200 185.826 109.733 -110.664 -30.5037 -303.921 39.9388 -66.4659 42.2935 319.357 PRESSAVG: 1600200 -75.7013 -6.43107 37.7008 -6.4311 76.5436 -43.8626 37.7008 -43.8627 5.95139 GPRESSAVG: 1600200 -75.8915 -6.06032 35.663 -6.82451 75.9918 -42.4539 36.6218 -46.1864 6.2488 TIMING: 1600200 CPU: 4998.6, 0.0031256/step Wall: 4998.6, 0.0031256/step, 2.95178 hours remaining, 235.281250 MB of memory in use. ENERGY: 1600200 4093.9101 20568.2751 14452.3457 252.8425 -202955.6842 2796.4130 0.0000 0.0000 52137.3395 -108654.5583 299.6340 -160791.8978 -108292.9942 299.9455 39.7642 67.0873 766540.2032 2.2646 2.1164 LDB: ============= START OF LOAD BALANCING ============== 5011.07 LDB: ============== END OF LOAD BALANCING =============== 5011.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5011.07 LDB: ============= START OF LOAD BALANCING ============== 5011.39 LDB: Largest compute 7052 load 0.029383 is 15.1% of average load 0.195064 LDB: Average compute 0.004360 is 2.2% of average load 0.195064 LDB: TIME 5011.39 LOAD: AVG 0.195064 MAX 0.219386 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.148 MB LDB: TIME 5011.39 LOAD: AVG 0.195064 MAX 0.219386 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.148 MB LDB: TIME 5011.39 LOAD: AVG 0.195064 MAX 0.216546 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.148 MB LDB: ============== END OF LOAD BALANCING =============== 5011.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5011.4 PRESSURE: 1600400 -124.431 -186.075 -312.338 -186.075 -567.878 -82.5439 -312.338 -82.5434 -187.289 GPRESSURE: 1600400 -36.0987 -233.12 -299.067 -105.839 -453.397 -109.44 -375.633 -9.0575 -293.883 PRESSAVG: 1600400 -24.9911 -3.35874 -31.3899 -3.35884 -19.0608 15.9834 -31.3899 15.9834 -8.02527 GPRESSAVG: 1600400 -24.6683 -5.41253 -30.9253 -1.91653 -19.3301 15.0695 -31.1259 15.871 -7.74044 TIMING: 1600400 CPU: 4999.23, 0.00317633/step Wall: 4999.23, 0.00317633/step, 2.99951 hours remaining, 235.589844 MB of memory in use. ENERGY: 1600400 4069.0823 20506.9756 14448.6500 247.3036 -202918.8154 2799.5791 0.0000 0.0000 52175.9870 -108671.2376 299.8561 -160847.2247 -108303.8253 300.2558 -293.1992 -261.1263 766666.6462 -17.3591 -17.2463 PRESSURE: 1600600 -271.438 -177.585 82.3963 -177.586 -211.783 100.538 82.3963 100.537 232.453 GPRESSURE: 1600600 -193.487 -169.868 82.1174 -48.2452 -188.593 50.8624 147.155 131.846 218.256 PRESSAVG: 1600600 -5.19796 -0.344512 13.9032 -0.344595 18.9571 22.4457 13.9032 22.4456 -11.3611 GPRESSAVG: 1600600 -4.55745 0.598793 15.3175 -1.65872 19.9772 23.6304 14.035 22.9367 -12.9191 TIMING: 1600600 CPU: 4999.85, 0.00311037/step Wall: 4999.85, 0.00311037/step, 2.93706 hours remaining, 235.589844 MB of memory in use. ENERGY: 1600600 3980.2032 20703.9067 14477.3142 245.2787 -203246.3886 2780.2522 0.0000 0.0000 52337.4778 -108721.9558 300.7842 -161059.4336 -108362.0262 299.9305 -83.5895 -54.6078 764146.6252 0.7994 0.8336 PRESSURE: 1600800 161.08 -84.7913 302.426 -84.7919 -238.539 -183.658 302.426 -183.658 9.36561 GPRESSURE: 1600800 244.102 -47.0124 164.551 -26.712 -188.262 -260.844 285.833 -86.8078 -27.4005 PRESSAVG: 1600800 23.9394 11.8705 30.328 11.8704 13.593 51.125 30.3279 51.125 -29.359 GPRESSAVG: 1600800 22.445 11.3695 30.8854 14.6866 13.4714 50.1104 30.6534 50.8105 -27.1427 TIMING: 1600800 CPU: 5000.47, 0.00310176/step Wall: 5000.47, 0.00310176/step, 2.92875 hours remaining, 235.589844 MB of memory in use. ENERGY: 1600800 4050.3052 20673.1907 14496.2996 269.4264 -203360.4848 2940.2996 0.0000 0.0000 51904.9186 -109026.0446 298.2983 -160930.9632 -108664.9625 300.3025 -22.6978 9.4800 763562.5762 2.7245 2.9246 PRESSURE: 1601000 -93.2869 155.027 -137.904 155.028 189.498 6.82175 -137.904 6.82197 -129.415 GPRESSURE: 1601000 24.5501 244.243 21.5517 109.771 168.854 -55.5745 -219.236 -51.2844 -138.247 PRESSAVG: 1601000 -67.9568 1.98459 21.3313 1.98459 53.783 -22.0912 21.3314 -22.0911 5.69003 GPRESSAVG: 1601000 -66.2754 1.99608 19.5815 0.135553 53.1069 -22.2942 21.0746 -20.5541 5.14585 TIMING: 1601000 CPU: 5001.1, 0.00311242/step Wall: 5001.1, 0.00311242/step, 2.93864 hours remaining, 235.589844 MB of memory in use. ENERGY: 1601000 4004.9780 20583.6619 14465.1586 248.6398 -203402.6425 2877.5647 0.0000 0.0000 51995.9819 -109226.6576 298.8216 -161222.6395 -108862.4496 299.3032 -11.0678 18.3857 764503.0468 -2.8279 -2.6742 PRESSURE: 1601200 -169.45 56.4909 30.4595 56.4916 31.0741 122.26 30.4593 122.261 -306.459 GPRESSURE: 1601200 -29.0248 99.824 30.3433 10.6001 10.0948 138.205 110.069 126.5 -312.889 PRESSAVG: 1601200 -49.6088 34.2438 -52.3753 34.2438 45.1274 3.36533 -52.3753 3.36534 12.6819 GPRESSAVG: 1601200 -50.5347 34.8364 -50.5249 31.8892 45.5059 3.78478 -53.3148 3.98787 12.5292 TIMING: 1601200 CPU: 5001.72, 0.00310675/step Wall: 5001.72, 0.00310675/step, 2.93311 hours remaining, 235.589844 MB of memory in use. ENERGY: 1601200 4080.9979 20452.9638 14495.8041 242.8688 -203445.9847 2785.3051 0.0000 0.0000 51829.4763 -109558.5687 297.8647 -161388.0450 -109199.2425 298.8572 -148.2782 -110.6064 764941.2395 2.7335 2.5001 PRESSURE: 1601400 -210.475 -74.1732 14.2055 -74.1724 -84.0565 -57.7134 14.2051 -57.7129 -101.139 GPRESSURE: 1601400 -149.003 39.455 -65.4916 12.817 -110.398 76.0024 147.416 -89.8812 -44.3534 PRESSAVG: 1601400 -35.3249 -4.91285 -4.68289 -4.91277 -0.700598 45.441 -4.68286 45.441 -10.3293 GPRESSAVG: 1601400 -35.3492 -5.39862 -6.37385 -1.76227 -0.909363 46.0186 -3.8436 43.9066 -9.97184 TIMING: 1601400 CPU: 5002.34, 0.00312286/step Wall: 5002.34, 0.00312286/step, 2.94815 hours remaining, 235.589844 MB of memory in use. ENERGY: 1601400 3908.5798 20460.4461 14454.5728 253.5321 -203560.3783 2865.9213 0.0000 0.0000 52040.3118 -109577.0145 299.0764 -161617.3262 -109219.8314 298.2271 -131.8900 -101.2516 764072.8308 -15.4516 -15.4101 PRESSURE: 1601600 170.621 52.1054 -45.3949 52.1059 -166.987 98.7678 -45.3946 98.767 -35.4536 GPRESSURE: 1601600 161.201 11.4351 -53.6311 170.939 -91.9234 105.596 -46.0294 -85.6239 -34.7785 PRESSAVG: 1601600 -26.8831 27.7667 -23.4074 27.7667 53.4987 -40.9214 -23.4074 -40.9215 -7.08122 GPRESSAVG: 1601600 -26.998 28.1175 -23.6577 25.6261 54.0622 -41.0571 -21.7511 -42.0334 -7.59562 TIMING: 1601600 CPU: 5002.96, 0.00310791/step Wall: 5002.96, 0.00310791/step, 2.93386 hours remaining, 235.589844 MB of memory in use. ENERGY: 1601600 3977.6549 20440.3622 14482.2286 233.3559 -203540.4961 2901.6302 0.0000 0.0000 51959.8951 -109545.3691 298.6142 -161505.2642 -109189.4322 298.1876 -10.6065 11.4996 763767.5472 6.5115 6.4895 PRESSURE: 1601800 -109.555 44.954 -67.5378 44.9545 -253.935 202.55 -67.5383 202.55 -128.771 GPRESSURE: 1601800 -21.769 16.0993 -137.023 139.379 -242.599 137.254 -123.619 80.5331 -144.367 PRESSAVG: 1601800 -9.04124 80.1728 -16.0897 80.1727 44.5665 -12.6472 -16.0896 -12.6473 -1.53242 GPRESSAVG: 1601800 -9.96663 80.1825 -15.9432 82.0555 44.1405 -12.9831 -18.3989 -12.9691 -0.638965 TIMING: 1601800 CPU: 5003.58, 0.00310244/step Wall: 5003.58, 0.00310244/step, 2.92853 hours remaining, 235.589844 MB of memory in use. ENERGY: 1601800 3993.9395 20414.2273 14485.7327 237.8661 -203392.0239 2986.1058 0.0000 0.0000 51804.7533 -109469.3991 297.7226 -161274.1525 -109107.2932 298.3931 -164.0872 -136.2451 763117.7165 11.3309 11.1783 PRESSURE: 1602000 370.169 40.5177 -40.6991 40.5174 8.09709 -222.049 -40.6994 -222.05 -1.19732 GPRESSURE: 1602000 374.498 134.453 -25.4865 24.2452 52.6663 -142.46 -9.97467 -128.129 28.5979 PRESSAVG: 1602000 -8.35721 34.1001 -20.8839 34.1002 22.6363 8.07182 -20.8838 8.07182 3.3971 GPRESSAVG: 1602000 -6.51313 34.0182 -20.5343 34.3652 21.7686 8.35426 -19.4852 7.88509 2.79871 TIMING: 1602000 CPU: 5004.21, 0.00310843/step Wall: 5004.21, 0.00310843/step, 2.93401 hours remaining, 235.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1602000 3956.0769 20406.8638 14392.1048 253.4798 -202863.4257 2532.5046 0.0000 0.0000 51725.7754 -109596.6204 297.2687 -161322.3958 -109243.2059 297.6919 125.6895 151.9209 764243.9927 5.8921 6.0181 PRESSURE: 1602200 -139.269 -54.434 98.7496 -54.4339 -236.267 -166.704 98.75 -166.704 -427.836 GPRESSURE: 1602200 -112.931 -99.6924 0.286764 68.97 -191.356 -181.494 33.3314 -52.7056 -414.973 PRESSAVG: 1602200 -21.0308 32.4395 -20.9326 32.4394 8.66637 -44.9969 -20.9326 -44.9969 20.2175 GPRESSAVG: 1602200 -21.7377 30.3913 -22.7354 33.2841 10.562 -45.3693 -19.4129 -42.6941 19.5116 TIMING: 1602200 CPU: 5004.83, 0.00311639/step Wall: 5004.83, 0.00311639/step, 2.94135 hours remaining, 235.589844 MB of memory in use. ENERGY: 1602200 4028.8858 20480.8726 14471.1744 241.6259 -203189.9156 2762.5147 0.0000 0.0000 51727.8369 -109477.0053 297.2806 -161204.8422 -109121.9721 297.6865 -267.7908 -239.7535 764285.2300 2.6177 2.7786 PRESSURE: 1602400 203.051 175.89 -169.606 175.891 126.01 -32.7063 -169.607 -32.7073 64.9493 GPRESSURE: 1602400 207.902 80.5204 -196.16 82.6623 193.297 8.36359 -40.759 -125.276 69.6332 PRESSAVG: 1602400 -70.422 24.1455 -20.4954 24.1456 29.7768 -5.01968 -20.4954 -5.01965 -2.73983 GPRESSAVG: 1602400 -69.7135 26.447 -19.4789 21.707 28.5211 -4.61065 -21.3483 -5.30397 -2.51168 TIMING: 1602400 CPU: 5005.45, 0.00310957/step Wall: 5005.45, 0.00310957/step, 2.93474 hours remaining, 235.589844 MB of memory in use. ENERGY: 1602400 4063.4496 20506.4936 14415.9008 246.5476 -203046.3734 2671.2910 0.0000 0.0000 51663.7544 -109478.9364 296.9123 -161142.6907 -109118.5201 298.8359 131.3370 156.9439 762870.3386 -14.4617 -14.5680 PRESSURE: 1602600 -36.9089 39.3145 -174.731 39.3141 -263.426 -82.6883 -174.731 -82.6884 3.88753 GPRESSURE: 1602600 -113.331 9.47327 -223.822 0.267316 -62.7351 -77.9901 -176.206 53.9701 -48.225 PRESSAVG: 1602600 -51.3325 39.8162 -10.7273 39.8162 63.6809 3.38056 -10.7273 3.38058 10.3553 GPRESSAVG: 1602600 -51.6546 40.1603 -9.69337 39.9559 65.3229 2.84903 -11.1125 2.27472 9.26341 TIMING: 1602600 CPU: 5006.08, 0.00312785/step Wall: 5006.08, 0.00312785/step, 2.95182 hours remaining, 235.589844 MB of memory in use. ENERGY: 1602600 4055.0390 20519.0105 14386.8589 252.1894 -203399.5469 2736.1809 0.0000 0.0000 51892.3518 -109557.9165 298.2261 -161450.2683 -109196.6634 298.6675 -98.8158 -74.7636 763601.2823 7.5679 7.6439 PRESSURE: 1602800 12.1375 -225.49 -63.9933 -225.49 -21.3489 -69.6156 -63.9933 -69.6164 113.55 GPRESSURE: 1602800 82.5191 -178.501 -14.9637 -134.007 -2.31383 90.8073 -147.446 -151.226 113.102 PRESSAVG: 1602800 -0.0342112 3.30022 -31.4185 3.30024 34.999 7.741 -31.4185 7.74112 12.0103 GPRESSAVG: 1602800 -0.763136 3.45371 -31.4705 3.17451 34.4849 8.80012 -31.9734 6.65199 13.0357 TIMING: 1602800 CPU: 5006.7, 0.00310929/step Wall: 5006.7, 0.00310929/step, 2.93414 hours remaining, 235.589844 MB of memory in use. ENERGY: 1602800 3988.5273 20408.4103 14423.1606 244.0350 -203620.1973 3176.7539 0.0000 0.0000 51921.2826 -109458.0277 298.3923 -161379.3102 -109093.2231 298.7362 34.7797 64.4359 763186.4665 15.6584 15.5858 PRESSURE: 1603000 -166.661 149.296 -133.763 149.297 -148.953 119.802 -133.763 119.802 -67.253 GPRESSURE: 1603000 -69.3625 181.931 -160.384 105.869 -53.9909 125.169 4.72501 80.1923 -171.129 PRESSAVG: 1603000 -44.8764 -9.92558 -31.4849 -9.92561 42.1575 11.9214 -31.4848 11.9215 11.4389 GPRESSAVG: 1603000 -43.7112 -9.56741 -32.7516 -8.967 41.6695 11.3179 -30.9011 12.6357 10.6103 TIMING: 1603000 CPU: 5007.32, 0.00309096/step Wall: 5007.32, 0.00309096/step, 2.91666 hours remaining, 235.589844 MB of memory in use. ENERGY: 1603000 3946.4268 20486.9442 14432.7386 243.9445 -203167.6410 2718.2725 0.0000 0.0000 51913.8209 -109425.4934 298.3494 -161339.3143 -109072.4176 298.5047 -127.6222 -98.1609 763327.6034 2.9067 2.8562 PRESSURE: 1603200 51.7883 -75.269 94.7804 -75.2687 -192.59 -108.986 94.7805 -108.985 413.007 GPRESSURE: 1603200 20.4925 -89.2896 33.2628 127.115 -149.167 -58.424 8.76573 -170.283 488.137 PRESSAVG: 1603200 16.6476 -28.1126 7.28067 -28.1126 29.2002 40.3714 7.28064 40.3714 5.83876 GPRESSAVG: 1603200 17.2413 -30.9579 8.97351 -26.1973 28.0195 40.0236 7.85344 40.3997 7.14529 TIMING: 1603200 CPU: 5007.94, 0.00309656/step Wall: 5007.94, 0.00309655/step, 2.92177 hours remaining, 235.589844 MB of memory in use. ENERGY: 1603200 3983.2269 20587.2673 14425.4948 242.7800 -203249.7948 2707.9520 0.0000 0.0000 51959.1933 -109343.8806 298.6102 -161303.0739 -108989.0139 298.5399 90.7351 119.8210 762738.6623 17.2289 17.4687 PRESSURE: 1603400 -246.752 132.793 132.93 132.792 -185.189 -118.958 132.931 -118.958 -311.65 GPRESSURE: 1603400 -274.791 143.68 158.77 -32.9509 -202.771 -80.5837 -95.4191 37.3783 -194.474 PRESSAVG: 1603400 22.4626 -12.6509 -23.7132 -12.6509 35.3003 64.4806 -23.7131 64.4806 27.5641 GPRESSAVG: 1603400 21.8516 -8.41363 -23.2178 -13.944 35.3966 63.7029 -26.1844 65.699 28.0921 TIMING: 1603400 CPU: 5008.56, 0.00310123/step Wall: 5008.56, 0.00310123/step, 2.92601 hours remaining, 235.589844 MB of memory in use. ENERGY: 1603400 4092.0188 20465.0513 14430.3614 267.1059 -202827.7056 2329.9102 0.0000 0.0000 51964.0647 -109279.1934 298.6382 -161243.2581 -108915.3386 298.8837 -247.8638 -224.0119 761718.5683 28.4423 28.4468 PRESSURE: 1603600 -286.066 76.0267 -127.997 76.0268 -166.618 -114.001 -127.997 -114 -105.686 GPRESSURE: 1603600 -150.569 74.923 -223.655 84.7993 -222.288 -80.7672 -2.64527 -33.7376 -106.217 PRESSAVG: 1603600 -27.4465 18.8306 -24.2046 18.8306 31.7625 11.529 -24.2045 11.529 1.12837 GPRESSAVG: 1603600 -28.1883 16.9184 -26.0094 17.5655 32.5395 12.8105 -21.939 10.5877 0.797088 TIMING: 1603600 CPU: 5009.17, 0.00309729/step Wall: 5009.17, 0.00309729/step, 2.92212 hours remaining, 235.589844 MB of memory in use. ENERGY: 1603600 4055.0435 20550.7489 14473.1124 259.4524 -203033.9728 2352.6951 0.0000 0.0000 52068.9146 -109274.0059 299.2408 -161342.9205 -108909.6145 299.1296 -186.1233 -159.6914 761913.7728 1.8148 1.7161 PRESSURE: 1603800 106.594 85.5196 -32.9018 85.5187 89.6969 133.615 -32.9008 133.616 501.131 GPRESSURE: 1603800 33.0788 -35.0738 0.389064 140.241 215.817 286.732 32.6694 17.8204 551.832 PRESSAVG: 1603800 -15.8592 66.4024 44.149 66.4024 26.1218 -38.2546 44.149 -38.2547 9.53214 GPRESSAVG: 1603800 -15.0309 66.1356 45.8122 66.817 25.5375 -37.5245 43.284 -36.3313 10.0059 TIMING: 1603800 CPU: 5009.79, 0.00309808/step Wall: 5009.79, 0.00309808/step, 2.92269 hours remaining, 235.589844 MB of memory in use. ENERGY: 1603800 3929.3223 20583.4507 14503.5960 257.4165 -203509.5890 2849.7010 0.0000 0.0000 52302.2470 -109083.8556 300.5817 -161386.1026 -108716.3644 299.0274 232.4738 266.9093 760400.9790 6.5982 6.8375 PRESSURE: 1604000 -122.671 -105.307 19.5749 -105.308 242.149 -202.268 19.575 -202.268 157.427 GPRESSURE: 1604000 -71.8842 -126.383 33.9577 -122.938 268.983 -158.223 76.7174 -299.217 177.864 PRESSAVG: 1604000 -45.2886 23.7045 43.045 23.7045 46.9213 12.8115 43.045 12.8114 0.785183 GPRESSAVG: 1604000 -44.3716 22.9056 41.5292 25.5187 47.7827 11.9519 44.1829 10.1636 -0.689708 TIMING: 1604000 CPU: 5010.41, 0.00308337/step Wall: 5010.41, 0.00308337/step, 2.90865 hours remaining, 235.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1604000 4001.2231 20454.2658 14459.5226 245.8799 -203384.9124 2933.6295 0.0000 0.0000 52156.7687 -109133.6228 299.7457 -161290.3915 -108767.3988 299.7290 92.3018 124.9876 761764.3448 0.8060 0.9072 PRESSURE: 1604200 -274.624 -249.329 -41.869 -249.328 -36.4049 -60.8112 -41.8679 -60.8111 34.8982 GPRESSURE: 1604200 -244.756 -232.765 21.8911 -274.503 -23.4484 -35.5125 -117.946 -112.469 60.0405 PRESSAVG: 1604200 -32.2844 14.6265 34.8946 14.6265 23.972 -48.9486 34.8946 -48.9486 -14.0999 GPRESSAVG: 1604200 -31.8073 14.1742 35.0313 12.2171 22.1459 -48.2798 35.096 -47.603 -13.2563 TIMING: 1604200 CPU: 5011.03, 0.00309555/step Wall: 5011.03, 0.00309555/step, 2.91996 hours remaining, 235.589844 MB of memory in use. ENERGY: 1604200 3942.2584 20581.7717 14501.2307 246.4592 -203088.3503 2549.0679 0.0000 0.0000 52115.8143 -109151.7480 299.5103 -161267.5623 -108789.9819 299.7904 -92.0435 -69.3880 761914.4190 -7.4708 -7.6392 LDB: ============= START OF LOAD BALANCING ============== 5023.51 LDB: ============== END OF LOAD BALANCING =============== 5023.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5023.51 LDB: ============= START OF LOAD BALANCING ============== 5023.82 LDB: Largest compute 7058 load 0.029525 is 15.1% of average load 0.195054 LDB: Average compute 0.004375 is 2.2% of average load 0.195054 LDB: TIME 5023.82 LOAD: AVG 0.195054 MAX 0.215886 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.688 MB LDB: TIME 5023.82 LOAD: AVG 0.195054 MAX 0.215886 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.688 MB LDB: TIME 5023.82 LOAD: AVG 0.195054 MAX 0.215886 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.688 MB LDB: ============== END OF LOAD BALANCING =============== 5023.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5023.83 PRESSURE: 1604400 -67.1501 -145.781 -3.34711 -145.781 -32.9603 -11.6984 -3.3462 -11.6983 39.4006 GPRESSURE: 1604400 -68.638 -28.2359 -46.269 -25.2439 70.8488 25.8577 -55.6975 39.8042 28.078 PRESSAVG: 1604400 1.70699 -46.0129 -26.7453 -46.013 30.1269 -14.7225 -26.7452 -14.7224 15.1617 GPRESSAVG: 1604400 0.575008 -45.2852 -26.9245 -45.4466 31.551 -14.9818 -25.5302 -16.1971 14.8674 TIMING: 1604400 CPU: 5011.66, 0.00316124/step Wall: 5011.66, 0.00316124/step, 2.98175 hours remaining, 235.128906 MB of memory in use. ENERGY: 1604400 4063.4098 20601.2912 14526.7531 259.2588 -203688.1126 2711.1823 0.0000 0.0000 52116.5278 -109409.6896 299.5144 -161526.2174 -109048.4918 299.4619 -20.2366 10.0963 760629.6203 15.6652 15.6645 PRESSURE: 1604600 74.929 -22.3803 121.756 -22.3805 -156.522 39.7661 121.756 39.7659 -32.2074 GPRESSURE: 1604600 108.127 -160.209 183.348 -126.063 -125.482 58.2269 146.893 -29.5961 -23.9321 PRESSAVG: 1604600 -13.7296 19.5409 22.168 19.5409 40.8766 16.9462 22.168 16.9462 -7.74776 GPRESSAVG: 1604600 -13.2339 17.7304 22.8998 20.2716 40.2724 17.3446 21.1739 17.2849 -7.57972 TIMING: 1604600 CPU: 5012.28, 0.00308439/step Wall: 5012.28, 0.00308439/step, 2.90909 hours remaining, 235.128906 MB of memory in use. ENERGY: 1604600 3904.0654 20571.7419 14506.5440 262.8694 -203748.7867 2833.8896 0.0000 0.0000 52068.4307 -109601.2458 299.2380 -161669.6765 -109244.1626 299.0618 -37.9335 -13.7623 759807.2368 6.4664 6.4863 PRESSURE: 1604800 -336.801 -85.6742 238.934 -85.674 -206.656 25.9315 238.934 25.9329 -14.0607 GPRESSURE: 1604800 -266.797 0.225586 343.672 -76.3766 -158.429 -81.2275 187.604 -23.7311 -33.3148 PRESSAVG: 1604800 -2.61708 -28.579 3.03346 -28.5791 39.6365 32.0337 3.03342 32.0337 18.336 GPRESSAVG: 1604800 -3.66474 -27.0259 3.8557 -27.2103 40.5538 30.4679 4.46234 31.0951 19.1755 TIMING: 1604800 CPU: 5012.9, 0.00310038/step Wall: 5012.9, 0.00310038/step, 2.92401 hours remaining, 235.128906 MB of memory in use. ENERGY: 1604800 4043.2398 20476.8012 14415.6631 248.3292 -203485.3698 2682.0918 0.0000 0.0000 52198.3356 -109420.9091 299.9846 -161619.2446 -109058.6425 299.3985 -185.8394 -152.8468 761028.3577 18.4518 18.6882 PRESSURE: 1605000 -93.8127 -63.9049 125.078 -63.9053 -234.516 -218.421 125.078 -218.421 205.667 GPRESSURE: 1605000 -90.417 -106.511 74.0297 -2.46829 -130.773 -213.952 82.4097 -38.491 179.021 PRESSAVG: 1605000 30.7989 3.4746 38.9944 3.47457 -47.3165 -7.05086 38.9944 -7.05094 1.80733 GPRESSAVG: 1605000 31.6635 2.94452 39.9019 5.03228 -46.741 -6.96517 38.5916 -4.14822 -0.00318024 TIMING: 1605000 CPU: 5013.52, 0.00309301/step Wall: 5013.52, 0.00309301/step, 2.91688 hours remaining, 235.128906 MB of memory in use. ENERGY: 1605000 4018.9524 20574.0125 14525.2487 249.3757 -203471.2218 2559.7615 0.0000 0.0000 52138.5155 -109405.3555 299.6408 -161543.8710 -109053.7713 299.3873 -40.8874 -14.0566 760919.4127 -4.9034 -5.0269 PRESSURE: 1605200 -86.6206 -12.658 127.793 -12.6581 97.0792 -20.3975 127.793 -20.3972 -27.9465 GPRESSURE: 1605200 -32.8838 33.452 162.412 -20.669 121.901 -84.5159 50.8856 -79.2017 -15.7912 PRESSAVG: 1605200 43.3948 -22.0847 48.871 -22.0848 -60.6328 18.8846 48.871 18.8846 14.0819 GPRESSAVG: 1605200 43.9133 -20.9389 47.1356 -26.6372 -61.7238 18.5091 45.0097 18.4913 14.5682 TIMING: 1605200 CPU: 5014.14, 0.00310759/step Wall: 5014.14, 0.00310759/step, 2.93046 hours remaining, 235.128906 MB of memory in use. ENERGY: 1605200 3950.0922 20359.5923 14506.6203 254.6204 -203458.8386 2740.3084 0.0000 0.0000 52139.3959 -109508.2092 299.6458 -161647.6052 -109137.2938 299.0441 -5.8293 24.4087 760661.9931 -1.0520 -1.0808 PRESSURE: 1605400 -48.7831 45.7621 -86.4928 45.7609 12.3843 195.917 -86.4921 195.917 -342.567 GPRESSURE: 1605400 26.2055 30.5683 -0.347791 -18.3376 -0.949419 120.231 52.5101 183.921 -322.94 PRESSAVG: 1605400 -47.8668 -43.7152 10.3387 -43.7153 -4.32472 -2.59359 10.3387 -2.59353 -12.0889 GPRESSAVG: 1605400 -49.1308 -44.1425 12.9116 -42.8861 -3.55814 -2.424 11.6785 -1.74476 -11.3642 TIMING: 1605400 CPU: 5014.76, 0.00310108/step Wall: 5014.76, 0.00310108/step, 2.92415 hours remaining, 235.128906 MB of memory in use. ENERGY: 1605400 4026.8755 20570.6869 14427.9648 259.2102 -203197.5035 2518.2384 0.0000 0.0000 52021.6506 -109372.8772 298.9691 -161394.5278 -109023.0593 298.9331 -126.3219 -99.2279 761462.1724 -21.4268 -21.3511 PRESSURE: 1605600 83.285 143.125 -59.7584 143.126 71.0055 64.9275 -59.7574 64.9281 138.332 GPRESSURE: 1605600 196.812 12.8119 -85.079 84.7227 60.9583 50.7983 75.5669 95.4828 135.906 PRESSAVG: 1605600 21.3457 25.0165 7.49179 25.0164 1.26355 31.1488 7.49183 31.1487 -16.953 GPRESSAVG: 1605600 22.3865 24.6066 6.39595 24.3816 1.33628 31.227 9.68043 28.7868 -17.4041 TIMING: 1605600 CPU: 5015.38, 0.00309404/step Wall: 5015.38, 0.00309404/step, 2.91733 hours remaining, 235.128906 MB of memory in use. ENERGY: 1605600 3946.9742 20537.8300 14392.1508 234.5142 -203201.8015 2591.0505 0.0000 0.0000 51997.7916 -109501.4903 298.8320 -161499.2819 -109132.8368 298.9099 97.5407 131.2252 760448.4924 1.8854 2.1063 PRESSURE: 1605800 401.993 -148.369 160.182 -148.368 130.499 -89.8239 160.182 -89.8241 289.376 GPRESSURE: 1605800 494.599 -131.218 103.917 -64.4835 106.029 -63.2724 202.662 -19.7871 313.594 PRESSAVG: 1605800 -24.085 52.5759 3.50083 52.5759 47.408 11.15 3.50085 11.1499 6.26246 GPRESSAVG: 1605800 -23.4602 51.9396 1.92684 53.3021 47.7658 11.8412 2.95659 11.7817 5.47269 TIMING: 1605800 CPU: 5016, 0.00312394/step Wall: 5016, 0.00312394/step, 2.94536 hours remaining, 235.128906 MB of memory in use. ENERGY: 1605800 3940.7014 20489.4747 14469.8090 224.5188 -203765.4964 2964.9516 0.0000 0.0000 52171.4457 -109504.5951 299.8300 -161676.0409 -109141.1170 299.2604 273.9560 304.7406 761877.9778 9.8618 9.9261 PRESSURE: 1606000 268.863 -48.3722 -30.3635 -48.3725 -26.6658 -28.5792 -30.3629 -28.5794 456.598 GPRESSURE: 1606000 311.883 -54.384 -40.4227 13.1194 6.993 -64.9251 -51.2202 25.5828 455.644 PRESSAVG: 1606000 -24.153 0.0928351 28.2237 0.0928075 46.2423 -15.8165 28.2237 -15.8166 10.7846 GPRESSAVG: 1606000 -23.657 -0.461827 30.1866 2.10655 44.4448 -16.3796 27.0863 -16.0615 11.9518 TIMING: 1606000 CPU: 5016.63, 0.00312065/step Wall: 5016.63, 0.00312065/step, 2.94208 hours remaining, 235.128906 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: 1606000 4053.5949 20355.3165 14418.4610 242.0789 -203547.0588 2982.2635 0.0000 0.0000 52062.4245 -109432.9195 299.2035 -161495.3440 -109075.0400 299.4541 232.9318 258.1734 761201.3870 10.9580 10.9132 PRESSURE: 1606200 248.176 -216.554 -63.8796 -216.554 -98.5156 -24.4113 -63.8794 -24.4113 209.58 GPRESSURE: 1606200 290.579 -171.297 -164.56 -125.576 -35.1479 -7.10097 -150.898 -93.8826 186.239 PRESSAVG: 1606200 -15.1374 6.68779 -15.4954 6.68779 13.6645 19.6367 -15.4954 19.6367 18.2844 GPRESSAVG: 1606200 -17.1872 6.91124 -17.2322 5.23477 15.7942 20.7267 -14.5826 19.5713 17.9064 TIMING: 1606200 CPU: 5017.25, 0.00312539/step Wall: 5017.25, 0.00312539/step, 2.94638 hours remaining, 235.128906 MB of memory in use. ENERGY: 1606200 3993.6364 20754.5578 14437.1589 265.3949 -203648.5192 2992.6648 0.0000 0.0000 51928.1387 -109276.9677 298.4317 -161205.1064 -108920.6454 299.0382 119.7466 147.2232 762366.8995 5.6039 5.5045 PRESSURE: 1606400 326.044 -58.4477 -35.9297 -58.4484 66.8239 -41.82 -35.9297 -41.8189 136.629 GPRESSURE: 1606400 292.934 -99.0679 -33.5978 -76.8249 135.219 -109.115 -94.2824 31.4241 166.452 PRESSAVG: 1606400 46.6698 -1.7174 -5.38389 -1.71739 -29.7102 -49.5706 -5.38393 -49.5705 -0.588155 GPRESSAVG: 1606400 46.827 0.595793 -5.5592 -0.739505 -29.6535 -48.971 -4.63174 -48.5228 -1.40245 TIMING: 1606400 CPU: 5017.88, 0.00311329/step Wall: 5017.88, 0.00311329/step, 2.93479 hours remaining, 235.128906 MB of memory in use. ENERGY: 1606400 3916.7991 20601.6819 14464.5954 280.4159 -203748.7508 2914.7500 0.0000 0.0000 52186.8490 -109383.6595 299.9185 -161570.5084 -109013.7560 299.1078 176.4988 198.2017 760874.9114 5.4572 5.2570 PRESSURE: 1606600 80.8436 -81.9755 -38.0649 -81.9751 206.386 -82.1604 -38.0639 -82.1614 94.9829 GPRESSURE: 1606600 62.5841 -9.97586 -83.0927 -145.587 275.86 -174.859 -73.1796 -61.9649 136.715 PRESSAVG: 1606600 -0.739279 8.33307 -40.629 8.33315 -54.3636 1.19015 -40.6289 1.19013 21.2605 GPRESSAVG: 1606600 0.729709 8.43262 -37.9529 6.11987 -56.428 -0.0248662 -42.5769 0.159359 22.0306 TIMING: 1606600 CPU: 5018.5, 0.00309938/step Wall: 5018.5, 0.00309938/step, 2.92151 hours remaining, 235.128906 MB of memory in use. ENERGY: 1606600 4032.2034 20435.3457 14412.9398 232.7977 -203411.7030 2944.1837 0.0000 0.0000 51939.5432 -109414.6896 298.4973 -161354.2328 -109062.7148 299.2416 127.4042 158.3862 761794.8950 -11.2808 -11.2225 PRESSURE: 1606800 -164.048 -122.935 -118.115 -122.935 -34.2597 -449.694 -118.114 -449.692 116.575 GPRESSURE: 1606800 -69.3364 -108.796 -86.7265 -129.866 -42.616 -411.818 -119.672 -416.418 116.571 PRESSAVG: 1606800 -1.93929 -5.93054 6.0168 -5.9305 29.0379 -70.6085 6.01673 -70.6085 12.0661 GPRESSAVG: 1606800 -2.17566 -7.74643 2.99684 -4.58304 28.9507 -68.9668 9.48102 -69.2856 12.3836 TIMING: 1606800 CPU: 5019.12, 0.00311385/step Wall: 5019.12, 0.00311385/step, 2.93498 hours remaining, 235.128906 MB of memory in use. ENERGY: 1606800 3960.8635 20563.6632 14390.1366 251.0507 -203839.6573 3080.1551 0.0000 0.0000 52247.1589 -109346.6292 300.2651 -161593.7882 -108980.4834 299.0413 -27.2442 1.5395 762044.5482 13.0549 13.0529 PRESSURE: 1607000 -7.56653 -40.6897 -84.255 -40.6903 -54.6939 113.738 -84.255 113.738 -240.507 GPRESSURE: 1607000 -23.0088 -75.8555 -69.0231 -3.2164 11.6794 59.155 -72.6543 23.978 -191.136 PRESSAVG: 1607000 1.1421 32.2505 10.9103 32.2505 19.4588 -33.6233 10.9103 -33.6232 23.0814 GPRESSAVG: 1607000 -0.799501 31.7413 11.9941 31.3113 21.9869 -36.9555 12.2991 -33.4322 22.4344 TIMING: 1607000 CPU: 5019.74, 0.00310892/step Wall: 5019.74, 0.00310892/step, 2.93016 hours remaining, 235.128906 MB of memory in use. ENERGY: 1607000 4011.4526 20601.6959 14455.7973 275.3707 -203257.0898 2703.0748 0.0000 0.0000 52112.1931 -109097.5054 299.4895 -161209.6985 -108735.0374 299.6763 -100.9225 -67.4886 761395.5216 14.5608 14.5406 PRESSURE: 1607200 -5.05534 -10.4133 -3.63075 -10.4138 -29.5519 19.1575 -3.63139 19.1575 76.0271 GPRESSURE: 1607200 27.9666 49.7137 -56.6686 14.407 70.5151 22.0518 -56.7571 84.6519 30.1759 PRESSAVG: 1607200 6.34199 7.88322 -2.72488 7.88324 -16.2448 12.9181 -2.72497 12.9181 3.94209 GPRESSAVG: 1607200 6.62345 10.2731 -3.01927 9.03963 -16.6619 13.6398 -5.3444 13.044 3.89727 TIMING: 1607200 CPU: 5020.36, 0.00311441/step Wall: 5020.36, 0.00311441/step, 2.93516 hours remaining, 235.128906 MB of memory in use. ENERGY: 1607200 4063.2792 20563.9425 14406.8833 250.6228 -203065.2790 2568.4728 0.0000 0.0000 52070.8573 -109141.2212 299.2519 -161212.0785 -108785.0327 299.5104 13.8066 42.8859 762661.9458 -1.9869 -2.0471 PRESSURE: 1607400 -125.925 -214.991 33.9534 -214.991 131.589 27.5775 33.9534 27.5764 20.253 GPRESSURE: 1607400 -72.7263 -133.06 133.481 -169.968 178.673 86.418 15.1323 10.5488 -6.9831 PRESSAVG: 1607400 12.8388 14.0001 89.6559 14.0001 45.6673 -7.9045 89.6559 -7.90454 -3.48709 GPRESSAVG: 1607400 13.5635 13.2816 90.2173 12.446 44.4164 -5.58859 90.6748 -9.73661 -3.05836 TIMING: 1607400 CPU: 5020.98, 0.00310822/step Wall: 5020.98, 0.00310822/step, 2.92916 hours remaining, 235.128906 MB of memory in use. ENERGY: 1607400 4021.4638 20555.3872 14410.8831 252.3190 -203152.8036 2807.7174 0.0000 0.0000 51802.7927 -109302.2405 297.7114 -161105.0331 -108937.8246 299.3885 8.6390 32.9878 763299.4071 18.3397 18.3072 PRESSURE: 1607600 -131.697 119.431 200.013 119.432 -344.694 -79.3113 200.013 -79.3105 -126.551 GPRESSURE: 1607600 -241.855 120.904 174.62 53.9994 -265.962 -39.3651 103.976 -85.4186 -7.65366 PRESSAVG: 1607600 -35.9021 -33.3682 15.8217 -33.3683 66.6291 19.3602 15.8217 19.3603 -24.4198 GPRESSAVG: 1607600 -34.9267 -30.4195 15.3049 -32.2079 67.2372 19.1847 13.354 19.0574 -25.0434 TIMING: 1607600 CPU: 5021.6, 0.00309226/step Wall: 5021.6, 0.00309226/step, 2.91394 hours remaining, 235.128906 MB of memory in use. ENERGY: 1607600 4057.7062 20308.4630 14445.1214 222.9023 -203263.9157 2684.5865 0.0000 0.0000 52102.2299 -109442.9063 299.4322 -161545.1362 -109080.3924 298.9514 -200.9804 -171.8237 762142.1699 2.1024 2.4223 PRESSURE: 1607800 -94.0752 -211.852 34.7356 -211.851 297.366 -115.517 34.7361 -115.517 -8.83568 GPRESSURE: 1607800 -93.3993 -128.719 -72.832 -130.182 311.429 -135.385 -26.9932 -90.9403 47.6033 PRESSAVG: 1607800 2.59342 -12.2164 9.04115 -12.2164 30.4903 -33.5891 9.04115 -33.5891 17.6315 GPRESSAVG: 1607800 2.69392 -15.791 7.52166 -10.5868 30.2906 -35.1811 9.81289 -32.1271 17.5458 TIMING: 1607800 CPU: 5022.22, 0.00309778/step Wall: 5022.22, 0.00309778/step, 2.91897 hours remaining, 235.128906 MB of memory in use. ENERGY: 1607800 3949.2851 20663.1506 14474.5267 245.8050 -203879.9327 2991.3122 0.0000 0.0000 51770.8573 -109784.9958 297.5278 -161555.8531 -109422.5758 298.5283 64.8184 88.5444 761369.0013 16.9051 16.8435 PRESSURE: 1608000 169.532 -152.006 -78.773 -152.007 102.281 -23.634 -78.7729 -23.6337 39.8397 GPRESSURE: 1608000 248.734 -118.03 -127.884 -118.417 141.933 -68.5116 11.9301 47.9228 6.94579 PRESSAVG: 1608000 -21.824 -19.2098 -51.7056 -19.2098 63.6465 -38.3118 -51.7057 -38.3117 -6.83855 GPRESSAVG: 1608000 -23.1826 -19.0487 -50.0388 -21.4058 65.0822 -37.6698 -51.5498 -38.1135 -6.80717 TIMING: 1608000 CPU: 5022.85, 0.00311368/step Wall: 5022.85, 0.00311368/step, 2.93378 hours remaining, 235.128906 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: 1608000 4038.4359 20352.6059 14427.9828 223.1413 -203754.5378 2998.7220 0.0000 0.0000 52081.6912 -109631.9587 299.3142 -161713.6499 -109268.5137 298.5305 103.8845 132.5378 762911.5294 11.6613 11.6975 PRESSURE: 1608200 146.822 284.736 -48.6755 284.736 -257.24 85.4213 -48.6763 85.4201 234.422 GPRESSURE: 1608200 171.845 288.102 36.2122 191.611 -141.799 32.089 33.9269 127.799 203.627 PRESSAVG: 1608200 -19.4341 -13.3689 -84.6354 -13.369 17.689 -15.3771 -84.6354 -15.377 8.14068 GPRESSAVG: 1608200 -18.1417 -14.1105 -85.5366 -12.9648 16.0215 -15.7636 -84.8028 -15.716 8.42143 TIMING: 1608200 CPU: 5023.47, 0.00310335/step Wall: 5023.47, 0.00310335/step, 2.92387 hours remaining, 235.128906 MB of memory in use. ENERGY: 1608200 4116.8830 20472.3380 14413.1347 242.2777 -203634.6823 3059.8371 0.0000 0.0000 51762.6308 -109567.5811 297.4806 -161330.2118 -109214.0128 298.3731 41.3347 77.8912 761598.2130 2.1318 2.1004 LDB: ============= START OF LOAD BALANCING ============== 5035.94 LDB: ============== END OF LOAD BALANCING =============== 5035.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5035.95 LDB: ============= START OF LOAD BALANCING ============== 5036.26 LDB: Largest compute 7031 load 0.029607 is 15.2% of average load 0.195090 LDB: Average compute 0.004392 is 2.3% of average load 0.195090 LDB: TIME 5036.26 LOAD: AVG 0.19509 MAX 0.218842 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.879 MB LDB: TIME 5036.26 LOAD: AVG 0.19509 MAX 0.218842 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.879 MB LDB: TIME 5036.26 LOAD: AVG 0.19509 MAX 0.216135 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.879 MB LDB: ============== END OF LOAD BALANCING =============== 5036.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5036.27 PRESSURE: 1608400 -165.139 219.245 26.1321 219.245 177.416 -294.822 26.1327 -294.822 -387.694 GPRESSURE: 1608400 -105.027 75.3302 -24.0025 254.706 205.67 -211.172 66.4479 -206.74 -362.641 PRESSAVG: 1608400 16.3429 24.2588 -10.1256 24.2587 9.00926 17.8752 -10.1256 17.8752 19.004 GPRESSAVG: 1608400 16.2007 22.6958 -9.87241 25.7666 8.8641 17.6802 -7.87832 17.592 18.5322 TIMING: 1608400 CPU: 5024.1, 0.00317963/step Wall: 5024.1, 0.00317963/step, 2.99556 hours remaining, 235.593750 MB of memory in use. ENERGY: 1608400 3939.1113 20545.2818 14402.7702 233.6352 -203553.2112 2821.8498 0.0000 0.0000 51948.5646 -109661.9984 298.5491 -161610.5629 -109303.4489 298.4174 -125.1390 -87.3329 762804.2115 14.7854 14.5323 PRESSURE: 1608600 166.102 121.973 57.5101 121.972 84.5329 187.438 57.5102 187.438 -266.701 GPRESSURE: 1608600 194.85 149.069 20.5445 169.138 29.2688 138.219 -8.71166 171.197 -155.535 PRESSAVG: 1608600 13.7171 -9.14291 17.3874 -9.14294 39.391 43.1369 17.3874 43.1369 9.40852 GPRESSAVG: 1608600 13.1609 -7.47377 18.08 -10.7632 38.0502 43.3324 16.4226 42.3522 10.9411 TIMING: 1608600 CPU: 5024.72, 0.00309969/step Wall: 5024.72, 0.00309969/step, 2.92008 hours remaining, 235.796875 MB of memory in use. ENERGY: 1608600 3931.1523 20463.1670 14478.3159 243.8169 -203850.7549 3131.8137 0.0000 0.0000 52152.8082 -109449.6809 299.7229 -161602.4891 -109084.8060 298.7277 -5.3556 22.8610 763011.4252 20.8389 20.7174 PRESSURE: 1608800 3.98333 -135.378 151.896 -135.379 188.058 -98.8729 151.895 -98.8727 195.533 GPRESSURE: 1608800 28.4265 -148.842 137.192 -146.492 156.069 -56.6973 63.8754 -137.217 271.423 PRESSAVG: 1608800 7.42869 48.9844 42.6217 48.9844 -31.6441 -17.3668 42.6217 -17.3668 18.4264 GPRESSAVG: 1608800 7.00474 48.6226 41.9429 48.0688 -29.8132 -17.71 40.5287 -16.777 16.9699 TIMING: 1608800 CPU: 5025.34, 0.00309064/step Wall: 5025.34, 0.00309064/step, 2.91138 hours remaining, 235.796875 MB of memory in use. ENERGY: 1608800 3992.9031 20354.8143 14491.8512 262.3003 -203880.8386 2967.5070 0.0000 0.0000 52232.8423 -109578.6203 300.1829 -161811.4626 -109204.1444 299.0085 129.1913 151.9728 760814.7640 -1.9297 -1.9462 PRESSURE: 1609000 399.628 211.644 -33.861 211.644 152.643 108.158 -33.8617 108.157 425.784 GPRESSURE: 1609000 361.364 158.492 30.5621 153.908 266.646 192.801 -42.6262 136.619 418.646 PRESSAVG: 1609000 25.5372 -4.35168 -30.2826 -4.35164 -43.4871 -50.4369 -30.2826 -50.4369 -1.99817 GPRESSAVG: 1609000 26.1037 -4.55096 -30.3414 -2.8413 -43.8171 -49.4033 -32.8352 -49.9155 -1.75047 TIMING: 1609000 CPU: 5025.96, 0.00308545/step Wall: 5025.96, 0.00308545/step, 2.90632 hours remaining, 235.796875 MB of memory in use. ENERGY: 1609000 4084.0081 20594.8104 14476.9606 234.2344 -203848.4358 2986.6743 0.0000 0.0000 52099.6481 -109372.0999 299.4174 -161471.7480 -109024.7222 299.4219 326.0180 348.8857 759583.4417 -6.6494 -6.4879 PRESSURE: 1609200 -115.452 -4.93686 -8.70071 -4.93661 121.146 139.863 -8.69999 139.863 16.2213 GPRESSURE: 1609200 -50.068 -36.7907 149.422 119.988 123.98 115.215 -19.5691 108.38 40.1903 PRESSAVG: 1609200 19.8301 2.41262 -53.0596 2.41267 -9.39042 -22.1899 -53.0596 -22.1898 10.842 GPRESSAVG: 1609200 19.9459 1.46474 -53.6686 2.80474 -9.53438 -22.7469 -48.6768 -24.5542 11.3908 TIMING: 1609200 CPU: 5026.57, 0.00308591/step Wall: 5026.57, 0.00308591/step, 2.90658 hours remaining, 235.796875 MB of memory in use. ENERGY: 1609200 4026.6941 20460.1271 14440.0998 259.4724 -203529.5248 2947.6862 0.0000 0.0000 51820.6402 -109574.8050 297.8139 -161395.4452 -109209.2281 299.1150 7.3050 38.0342 761454.3773 7.0939 7.2674 PRESSURE: 1609400 -300.628 -174.154 -16.899 -174.155 -78.7054 -138.132 -16.8993 -138.133 -109.273 GPRESSURE: 1609400 -245.718 -242.116 5.86986 -130.502 -70.5256 -235.746 -67.8562 -106.118 -83.2256 PRESSAVG: 1609400 -8.50874 -18.4692 -16.4223 -18.4691 2.9554 9.43382 -16.4222 9.4338 -13.5067 GPRESSAVG: 1609400 -8.69484 -13.7742 -14.5617 -19.8788 3.19369 11.1638 -16.2459 8.22233 -14.0322 TIMING: 1609400 CPU: 5027.19, 0.00309731/step Wall: 5027.19, 0.00309731/step, 2.91715 hours remaining, 235.796875 MB of memory in use. ENERGY: 1609400 4060.1786 20579.3277 14446.2688 232.1388 -203584.6380 2759.3575 0.0000 0.0000 51960.3190 -109547.0476 298.6167 -161507.3666 -109195.8748 299.0039 -162.8691 -133.1564 761282.6847 -6.3534 -6.5111 PRESSURE: 1609600 -130.714 127.794 201.679 127.794 129.965 107.345 201.679 107.346 -2.36753 GPRESSURE: 1609600 -43.3013 86.318 234.643 50.3108 97.3128 107.35 189.68 59.8268 29.5277 PRESSAVG: 1609600 1.68143 -4.2543 -2.42006 -4.25425 -40.2347 67.5455 -2.42005 67.5455 8.70704 GPRESSAVG: 1609600 2.57503 -9.4096 -3.78679 -2.91205 -41.2173 63.4079 -2.91012 71.6367 8.44019 TIMING: 1609600 CPU: 5027.81, 0.00308782/step Wall: 5027.81, 0.00308782/step, 2.90804 hours remaining, 235.796875 MB of memory in use. ENERGY: 1609600 4016.9881 20704.3629 14382.9308 244.1370 -203571.6512 2885.3241 0.0000 0.0000 51852.3864 -109485.5219 297.9964 -161337.9083 -109130.0570 298.4832 -1.0387 27.8464 760942.0679 -9.9487 -10.0673 PRESSURE: 1609800 -12.113 130.15 -452.142 130.15 -9.43265 -132.023 -452.142 -132.023 -239.998 GPRESSURE: 1609800 -66.8176 122.963 -405.102 162.072 66.3839 -175.043 -365.005 -191.199 -201.254 PRESSAVG: 1609800 11.7771 -31.2007 -29.4869 -31.2007 -10.3553 -5.24449 -29.4869 -5.2445 -0.730095 GPRESSAVG: 1609800 10.1822 -28.5081 -28.7947 -30.7722 -9.68852 -1.28965 -30.1312 -7.9095 0.299819 TIMING: 1609800 CPU: 5028.43, 0.00310333/step Wall: 5028.43, 0.00310333/step, 2.92248 hours remaining, 235.796875 MB of memory in use. ENERGY: 1609800 3982.5068 20602.4488 14440.1638 234.4826 -203823.2554 2858.3691 0.0000 0.0000 52160.1960 -109545.0884 299.7654 -161705.2844 -109182.7022 298.8818 -87.1814 -67.2291 762275.6414 0.2306 0.2645 PRESSURE: 1610000 -423.661 -143.291 57.0354 -143.292 -291.147 -39.7394 57.0356 -39.739 -304.902 GPRESSURE: 1610000 -354.866 -8.03718 56.8902 -78.879 -286.656 14.3997 -137.071 8.45521 -314.572 PRESSAVG: 1610000 21.603 -12.4516 -63.209 -12.4516 -62.1692 37.1261 -63.209 37.1261 0.0805853 GPRESSAVG: 1610000 22.1885 -12.1046 -63.4071 -11.1205 -61.0678 35.2379 -64.0529 39.7831 -1.56387 TIMING: 1610000 CPU: 5029.05, 0.00310141/step Wall: 5029.05, 0.00310141/step, 2.9205 hours remaining, 235.796875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1610000 3989.2195 20721.2010 14461.9845 258.6613 -203312.5657 2556.3043 0.0000 0.0000 51880.9281 -109444.2669 298.1604 -161325.1950 -109080.2796 298.8293 -339.9033 -318.6980 762758.6474 -13.4952 -13.4811 PRESSURE: 1610200 28.9246 65.2659 109.334 65.2661 5.34388 -236.119 109.335 -236.118 242.485 GPRESSURE: 1610200 78.9418 47.2301 71.0874 83.709 18.5589 -275.145 134.823 -246.786 275.49 PRESSAVG: 1610200 -38.1083 15.5191 -11.8626 15.519 21.5953 24.0787 -11.8625 24.0787 -12.8577 GPRESSAVG: 1610200 -38.0759 14.9775 -12.155 12.6466 21.5877 23.9851 -12.3036 24.1228 -12.9726 TIMING: 1610200 CPU: 5029.68, 0.00312227/step Wall: 5029.68, 0.00312227/step, 2.93996 hours remaining, 235.796875 MB of memory in use. ENERGY: 1610200 3980.2409 20332.0599 14499.0234 254.7623 -203291.8347 2725.8354 0.0000 0.0000 52252.3616 -109247.5513 300.2950 -161499.9128 -108873.2816 298.8948 92.2513 124.3303 762701.2063 -9.7902 -9.8203 PRESSURE: 1610400 -122.259 -123.558 -34.9548 -123.559 -115.391 -14.4898 -34.9543 -14.489 159.369 GPRESSURE: 1610400 -103.644 -97.737 -85.7186 -175.93 -50.3847 -57.5406 -31.2867 64.4297 138.406 PRESSAVG: 1610400 -31.7949 21.6951 -36.9809 21.6951 56.6108 -53.6775 -36.9809 -53.6776 16.3267 GPRESSAVG: 1610400 -32.0097 22.8494 -37.5813 22.2231 55.5401 -54.8142 -37.6087 -53.8241 17.5968 TIMING: 1610400 CPU: 5030.3, 0.00311537/step Wall: 5030.3, 0.00311538/step, 2.9333 hours remaining, 235.796875 MB of memory in use. ENERGY: 1610400 4044.0487 20615.4503 14448.6388 251.5801 -203194.8376 2748.8077 0.0000 0.0000 52010.9651 -109075.3468 298.9077 -161086.3119 -108711.7099 299.0265 -26.0936 -5.2077 764621.8957 13.7142 13.7091 PRESSURE: 1610600 76.5538 -164.907 -69.2115 -164.906 263.891 -83.4675 -69.2122 -83.4665 55.7599 GPRESSURE: 1610600 34.0412 -191.069 -57.248 -152.686 245.536 -97.6201 -102.405 -128.161 192.587 PRESSAVG: 1610600 0.0706444 1.75771 -63.9356 1.75771 21.5845 -32.4403 -63.9357 -32.4404 1.79204 GPRESSAVG: 1610600 0.424668 1.80796 -62.5272 2.1468 21.4553 -31.4999 -61.5984 -32.8247 1.83085 TIMING: 1610600 CPU: 5030.92, 0.00310944/step Wall: 5030.92, 0.00310944/step, 2.92754 hours remaining, 235.796875 MB of memory in use. ENERGY: 1610600 4006.1466 20750.7905 14441.7122 251.6658 -203181.9024 2802.2094 0.0000 0.0000 52087.4228 -108841.9551 299.3471 -160929.3779 -108485.4537 299.3810 132.0681 157.3881 764363.0155 7.8157 7.9036 PRESSURE: 1610800 -239.256 -57.7723 33.139 -57.7722 -245.872 172.721 33.1387 172.721 -488.225 GPRESSURE: 1610800 -98.8172 -134.701 -58.6067 -44.2999 -300.517 104.16 46.9676 118.482 -506.882 PRESSAVG: 1610800 -27.4784 25.5411 43.3942 25.5411 -0.981419 -81.2504 43.3941 -81.2504 -37.2081 GPRESSAVG: 1610800 -26.8055 25.3955 42.2812 24.551 -1.21951 -81.9036 42.1989 -81.5772 -37.4195 TIMING: 1610800 CPU: 5031.54, 0.00310944/step Wall: 5031.54, 0.00310944/step, 2.92736 hours remaining, 235.796875 MB of memory in use. ENERGY: 1610800 4028.0331 20527.5945 14535.9656 239.7117 -203209.4134 2722.7599 0.0000 0.0000 52244.8865 -108910.4622 300.2521 -161155.3487 -108557.9739 300.0773 -324.4513 -302.0721 766036.8731 -21.8893 -21.8148 PRESSURE: 1611000 46.7996 -135.366 -179.362 -135.366 -103.483 67.6739 -179.361 67.6744 19.906 GPRESSURE: 1611000 67.0183 -130.701 -96.8918 -238.698 -2.40971 131.735 -235.658 -26.5397 -36.3593 PRESSAVG: 1611000 0.723005 3.37897 17.7959 3.37908 -5.08279 -3.14577 17.7959 -3.14574 0.154082 GPRESSAVG: 1611000 0.990126 3.16311 18.5508 4.17507 -5.10561 -1.97929 17.4848 -5.09482 -0.351459 TIMING: 1611000 CPU: 5032.17, 0.0031256/step Wall: 5032.17, 0.0031256/step, 2.9424 hours remaining, 235.796875 MB of memory in use. ENERGY: 1611000 3975.4729 20636.1622 14452.6581 249.4385 -203023.1536 2703.5311 0.0000 0.0000 52267.3402 -108738.5507 300.3811 -161005.8909 -108366.6792 299.9681 -12.2593 9.4164 764783.6611 -1.4019 -1.4890 PRESSURE: 1611200 86.4858 -51.4854 -43.5204 -51.4851 11.6747 74.198 -43.5206 74.1971 -216.75 GPRESSURE: 1611200 126.352 -136.179 -40.128 -65.7826 56.9679 78.7245 30.1644 76.9261 -221.366 PRESSAVG: 1611200 -26.0825 10.1581 -1.68743 10.1581 59.2454 -53.1986 -1.68748 -53.1986 -3.27378 GPRESSAVG: 1611200 -27.5636 8.22543 -2.44148 11.2001 59.9292 -53.7664 -0.835913 -51.4627 -2.04343 TIMING: 1611200 CPU: 5032.79, 0.00309423/step Wall: 5032.79, 0.00309423/step, 2.91271 hours remaining, 235.796875 MB of memory in use. ENERGY: 1611200 4000.1440 20565.9899 14389.7433 241.1704 -203641.4566 3174.3291 0.0000 0.0000 52369.1407 -108900.9393 300.9662 -161270.0799 -108528.3246 300.1532 -39.5297 -12.6819 765247.0723 9.9631 10.1074 PRESSURE: 1611400 226.518 67 51.0526 66.9996 -132.043 109.55 51.0521 109.551 -152.849 GPRESSURE: 1611400 258.074 54.7026 71.8098 65.2822 -74.6466 128.944 148.797 76.1016 -158.144 PRESSAVG: 1611400 31.0334 28.3777 7.83669 28.3777 -61.8305 -15.8507 7.83674 -15.8507 12.7082 GPRESSAVG: 1611400 32.1435 28.3887 8.02009 27.2839 -62.0614 -16.0593 9.43319 -15.1177 11.736 TIMING: 1611400 CPU: 5033.41, 0.00310241/step Wall: 5033.41, 0.00310242/step, 2.92023 hours remaining, 235.796875 MB of memory in use. ENERGY: 1611400 3965.5218 20610.7873 14420.4479 239.5816 -203324.9725 2809.2708 0.0000 0.0000 52097.0278 -109182.3353 299.4023 -161279.3631 -108812.9157 299.7985 -19.4580 8.4278 764503.0811 -6.0297 -6.0607 PRESSURE: 1611600 77.9874 232.771 108.594 232.771 257.695 119.212 108.593 119.213 160.309 GPRESSURE: 1611600 207.715 190.95 139.235 212.169 218.58 138.957 42.3499 -23.2271 174.849 PRESSAVG: 1611600 10.0347 60.4757 15.2679 60.4756 -45.151 -29.3118 15.2679 -29.3117 9.14567 GPRESSAVG: 1611600 9.77302 62.2073 15.6897 60.3139 -45.5886 -28.8382 13.2952 -31.1643 10.1055 TIMING: 1611600 CPU: 5034.03, 0.00309809/step Wall: 5034.03, 0.00309808/step, 2.91599 hours remaining, 235.796875 MB of memory in use. ENERGY: 1611600 3942.6895 20650.6187 14349.0330 253.2127 -203408.9230 2993.8829 0.0000 0.0000 51880.9607 -109338.5255 298.1606 -161219.4862 -108981.6396 299.4737 165.3304 200.3814 762030.2729 -8.6568 -8.5700 PRESSURE: 1611800 162.002 161.054 -31.9551 161.055 353.2 232.757 -31.9552 232.757 -41.7496 GPRESSURE: 1611800 210.452 72.0457 18.201 185.295 315.633 145.389 -90.5983 304.619 3.64297 PRESSAVG: 1611800 38.2912 38.1181 -2.69102 38.1181 -34.3747 -9.64142 -2.69099 -9.64136 -4.46418 GPRESSAVG: 1611800 37.5979 37.5568 -2.83793 39.5479 -33.6962 -10.481 -2.36101 -7.42792 -4.41379 TIMING: 1611800 CPU: 5034.65, 0.00310513/step Wall: 5034.65, 0.00310514/step, 2.92245 hours remaining, 235.796875 MB of memory in use. ENERGY: 1611800 3978.4388 20625.1513 14393.9169 251.2890 -203820.2737 2942.8713 0.0000 0.0000 52230.4560 -109398.1504 300.1691 -161628.6065 -109036.4240 298.9874 157.8172 176.5758 761591.2254 -0.1825 -0.1707 PRESSURE: 1612000 -20.5848 191.56 -43.1199 191.56 -33.5634 -88.3115 -43.1198 -88.3114 -373.949 GPRESSURE: 1612000 -98.1224 161.029 -74.237 124.284 75.0724 -58.792 -41.9288 33.5927 -329.212 PRESSAVG: 1612000 -28.8831 44.0187 -29.7681 44.0186 40.302 27.7933 -29.7681 27.7933 20.1617 GPRESSAVG: 1612000 -28.9191 44.5432 -29.7531 41.9649 39.7993 28.7105 -29.5635 26.5194 20.246 TIMING: 1612000 CPU: 5035.27, 0.00309738/step Wall: 5035.27, 0.00309738/step, 2.91498 hours remaining, 235.796875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1612000 3976.0196 20652.4548 14420.0763 254.5501 -203297.3521 2801.2344 0.0000 0.0000 52084.0874 -109108.9296 299.3280 -161193.0170 -108741.0719 299.2347 -142.6990 -117.4205 764441.8212 10.5269 10.3754 PRESSURE: 1612200 -290.253 21.1922 94.6731 21.1914 -187.293 241.602 94.6731 241.604 -339.299 GPRESSURE: 1612200 -243.346 92.9263 114.502 -100.868 -159.187 209.46 155.41 259.749 -320.467 PRESSAVG: 1612200 13.5274 1.01271 -12.4292 1.0127 -24.4941 5.18975 -12.4291 5.18979 3.78654 GPRESSAVG: 1612200 13.5739 2.36124 -11.6601 1.35522 -23.8212 4.51578 -12.6789 4.97369 3.50117 TIMING: 1612200 CPU: 5035.89, 0.00309738/step Wall: 5035.89, 0.00309738/step, 2.91481 hours remaining, 235.796875 MB of memory in use. ENERGY: 1612200 4006.2445 20615.3533 14403.6883 260.8648 -202892.1875 2586.5387 0.0000 0.0000 52030.7962 -108988.7017 299.0217 -161019.4978 -108633.9296 299.4695 -272.2817 -241.0000 763868.1222 -2.3934 -2.2487 LDB: ============= START OF LOAD BALANCING ============== 5048.36 LDB: ============== END OF LOAD BALANCING =============== 5048.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5048.37 LDB: ============= START OF LOAD BALANCING ============== 5048.68 LDB: Largest compute 7047 load 0.029211 is 15.0% of average load 0.195032 LDB: Average compute 0.004375 is 2.2% of average load 0.195032 LDB: TIME 5048.68 LOAD: AVG 0.195032 MAX 0.217007 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.379 MB LDB: TIME 5048.68 LOAD: AVG 0.195032 MAX 0.217007 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.473 MB LDB: TIME 5048.68 LOAD: AVG 0.195032 MAX 0.217007 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.473 MB LDB: ============== END OF LOAD BALANCING =============== 5048.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5048.69 PRESSURE: 1612400 44.4508 63.4704 80.8366 63.4709 -55.7207 133.252 80.8363 133.254 -260.844 GPRESSURE: 1612400 47.6971 115.573 92.1556 -18.0879 -50.3885 197.808 -15.0176 34.5291 -186.525 PRESSAVG: 1612400 -27.2373 -27.5404 -10.3983 -27.5403 34.0107 6.87525 -10.3983 6.87532 -5.05511 GPRESSAVG: 1612400 -26.3588 -28.1977 -10.4088 -26.3133 32.3858 7.1925 -8.30418 4.66031 -5.05715 TIMING: 1612400 CPU: 5036.52, 0.00317857/step Wall: 5036.52, 0.00317857/step, 2.99103 hours remaining, 234.570312 MB of memory in use. ENERGY: 1612400 3966.7997 20639.9764 14418.0447 248.0149 -203283.9735 2842.0148 0.0000 0.0000 52154.6499 -109014.4729 299.7335 -161169.1228 -108648.7572 299.5799 -90.7046 -63.0722 763919.6057 0.5728 0.3233 PRESSURE: 1612600 350.625 -44.6603 -30.4882 -44.661 85.8361 60.2863 -30.4891 60.2854 303.945 GPRESSURE: 1612600 397.148 -141.478 -20.4467 23.6293 160.234 111.133 -35.8913 -59.537 275.961 PRESSAVG: 1612600 9.09306 59.2269 25.4209 59.2269 10.3297 -16.1161 25.4209 -16.1161 0.367323 GPRESSAVG: 1612600 8.70685 60.7382 25.7803 57.4644 12.8182 -15.1419 23.3507 -17.6011 -1.02214 TIMING: 1612600 CPU: 5037.15, 0.00312944/step Wall: 5037.15, 0.00312944/step, 2.94463 hours remaining, 234.570312 MB of memory in use. ENERGY: 1612600 3995.2737 20584.4592 14332.4132 264.3535 -203592.5381 3179.9900 0.0000 0.0000 52216.0462 -109020.0022 300.0863 -161236.0484 -108651.4813 299.9822 246.8021 277.7811 763683.0814 6.5967 6.8343 PRESSURE: 1612800 -76.1833 70.0112 56.6072 70.0108 -51.5625 381.015 56.6071 381.016 215.905 GPRESSURE: 1612800 -36.3749 100.506 108.607 -35.0133 -35.7093 387.047 -17.7017 295.232 249.177 PRESSAVG: 1612800 35.5199 27.7422 -3.29576 27.7422 27.2866 11.1368 -3.29577 11.1368 -19.6289 GPRESSAVG: 1612800 35.6251 24.9088 -3.60285 29.5507 25.9184 10.132 -4.72327 13.8478 -18.6446 TIMING: 1612800 CPU: 5037.77, 0.00310345/step Wall: 5037.77, 0.00310346/step, 2.92001 hours remaining, 234.570312 MB of memory in use. ENERGY: 1612800 3985.2816 20438.1805 14422.1696 244.2123 -203508.2395 3040.7708 0.0000 0.0000 52133.5987 -109244.0260 299.6125 -161377.6247 -108885.9399 299.5244 29.3863 59.0309 764759.4796 14.3925 14.2997 PRESSURE: 1613000 246.41 124.231 104.466 124.231 6.49357 -56.6717 104.466 -56.672 -343.424 GPRESSURE: 1613000 309.161 118.173 86.9024 98.4751 -24.7285 -14.7875 139.558 44.8159 -272.356 PRESSAVG: 1613000 46.9605 -33.1275 -3.67805 -33.1275 -13.7738 25.0706 -3.67808 25.0706 26.6731 GPRESSAVG: 1613000 47.7491 -32.8699 -4.17385 -33.0289 -14.3126 26.0535 -1.5915 25.0437 25.8853 TIMING: 1613000 CPU: 5038.39, 0.00311914/step Wall: 5038.39, 0.00311914/step, 2.93459 hours remaining, 234.570312 MB of memory in use. ENERGY: 1613000 4013.3462 20285.5780 14394.2719 234.0800 -203163.5862 2882.3143 0.0000 0.0000 52169.1316 -109184.8641 299.8167 -161353.9957 -108818.8008 299.5220 -30.1733 4.0256 764521.2745 19.9532 19.7739 PRESSURE: 1613200 -151.326 -126.709 -8.75401 -126.709 -23.5221 181.585 -8.75433 181.586 71.8984 GPRESSURE: 1613200 -136.032 -8.23849 -0.619838 -107.997 27.5985 144.009 26.67 111.803 83.4299 PRESSAVG: 1613200 10.2125 -22.9967 10.9778 -22.9967 -61.1843 36.5083 10.9778 36.5082 12.9078 GPRESSAVG: 1613200 8.92972 -21.5013 12.1364 -23.9747 -60.7001 35.0535 8.04936 38.2665 13.825 TIMING: 1613200 CPU: 5039.01, 0.00310141/step Wall: 5039.01, 0.00310141/step, 2.91774 hours remaining, 234.570312 MB of memory in use. ENERGY: 1613200 3926.4392 20695.6115 14315.6090 245.6459 -202929.5305 2631.0194 0.0000 0.0000 51793.5231 -109321.6824 297.6581 -161115.2054 -108969.7442 299.1239 -34.3167 -8.3345 764309.8409 -12.6880 -12.6485 PRESSURE: 1613400 347.798 -295.665 197.048 -295.665 235.465 -25.1836 197.048 -25.1835 -72.5066 GPRESSURE: 1613400 282.098 -368.465 238.57 -172.783 382.45 -116.974 146.333 -93.2633 -78.4835 PRESSAVG: 1613400 -18.5537 9.8416 -38.9547 9.84158 41.3638 26.298 -38.9547 26.2981 -6.24189 GPRESSAVG: 1613400 -18.6821 7.11896 -39.5493 11.4607 43.6122 26.0097 -37.9865 24.5035 -7.7024 TIMING: 1613400 CPU: 5039.63, 0.00310329/step Wall: 5039.63, 0.00310329/step, 2.91934 hours remaining, 234.570312 MB of memory in use. ENERGY: 1613400 3985.9530 20340.3326 14425.1154 236.9196 -203108.9395 2775.2195 0.0000 0.0000 51905.2829 -109440.1165 298.3004 -161345.3994 -109063.9545 298.6666 170.2524 195.3548 762885.3407 5.5227 5.7426 PRESSURE: 1613600 184.879 1.04399 -27.4741 1.04347 48.9791 -147.712 -27.4737 -147.711 79.697 GPRESSURE: 1613600 182.995 87.9563 -116.999 -23.1703 82.3928 -162.313 -40.8521 -95.0442 134.882 PRESSAVG: 1613600 30.7614 13.2695 -52.8703 13.2695 -16.3315 8.51167 -52.8704 8.51163 18.3844 GPRESSAVG: 1613600 31.3143 15.3502 -53.4664 13.3491 -17.7341 9.63957 -51.9562 9.24614 19.1768 TIMING: 1613600 CPU: 5040.26, 0.00311367/step Wall: 5040.26, 0.00311367/step, 2.92893 hours remaining, 234.570312 MB of memory in use. ENERGY: 1613600 3993.2044 20522.6164 14410.6146 244.0917 -203285.7139 2679.8192 0.0000 0.0000 52027.0441 -109408.3234 299.0001 -161435.3675 -109050.8120 298.4953 104.5184 133.4233 760840.1545 10.9381 10.9190 PRESSURE: 1613800 -24.164 19.3962 98.8728 19.3953 174.433 -236.201 98.8724 -236.2 4.00891 GPRESSURE: 1613800 -21.2321 -19.7646 146.841 22.5461 224.512 -253.038 45.7066 -245.293 36.0323 PRESSAVG: 1613800 24.1028 -43.0789 17.3652 -43.0789 -28.1941 -3.72993 17.3652 -3.72992 0.870273 GPRESSAVG: 1613800 23.7704 -44.1114 18.4338 -44.6996 -27.8859 -4.79337 18.2918 -3.47933 0.687341 TIMING: 1613800 CPU: 5040.88, 0.00311116/step Wall: 5040.88, 0.00311116/step, 2.92639 hours remaining, 234.570312 MB of memory in use. ENERGY: 1613800 3998.7525 20343.8154 14447.1232 250.5728 -203314.6463 2902.3409 0.0000 0.0000 52040.7687 -109331.2728 299.0790 -161372.0415 -108964.4966 298.7471 51.4261 79.7707 762459.3197 -1.0737 -1.1427 PRESSURE: 1614000 -69.2447 -67.7064 98.9832 -67.7065 220.421 -111.623 98.9839 -111.624 -164.419 GPRESSURE: 1614000 -87.0257 -168.944 83.6983 -67.1835 278.911 -29.143 101.274 -97.9588 -111.892 PRESSAVG: 1614000 -6.52853 -16.7359 -23.0767 -16.7358 27.2107 32.9279 -23.0767 32.928 31.6103 GPRESSAVG: 1614000 -6.09847 -19.5965 -23.3985 -15.031 27.6161 33.0575 -23.0144 32.8534 31.4078 TIMING: 1614000 CPU: 5041.5, 0.0031096/step Wall: 5041.5, 0.0031096/step, 2.92475 hours remaining, 234.570312 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: 1614000 3973.4888 20413.1474 14477.2802 248.3453 -203368.7134 2876.1706 0.0000 0.0000 52163.7820 -109216.4991 299.7860 -161380.2811 -108860.3317 298.9614 -4.4141 26.6643 763733.8884 17.4308 17.6418 PRESSURE: 1614200 -295.269 -20.3276 94.7872 -20.3277 -10.1086 245.642 94.7878 245.641 -501.136 GPRESSURE: 1614200 -334.455 -58.4547 65.8283 -51.3388 25.8918 296.057 101.394 194.225 -397.934 PRESSAVG: 1614200 -62.8321 -15.7514 6.98744 -15.7513 70.1332 58.5915 6.98744 58.5915 -25.0431 GPRESSAVG: 1614200 -63.5533 -12.9888 6.72465 -18.3448 69.8869 59.0051 5.7941 57.65 -24.0791 TIMING: 1614200 CPU: 5042.12, 0.00310512/step Wall: 5042.12, 0.00310512/step, 2.92036 hours remaining, 234.570312 MB of memory in use. ENERGY: 1614200 3954.9932 20437.6790 14442.9505 234.6452 -203039.1203 2497.2248 0.0000 0.0000 51788.9088 -109682.7188 297.6316 -161471.6276 -109321.3588 298.9982 -268.8378 -235.4989 763270.3378 -5.9140 -5.9152 PRESSURE: 1614400 224.996 31.0469 -118.822 31.0463 -579.673 -161.042 -118.822 -161.043 -274.852 GPRESSURE: 1614400 53.368 -52.1603 -191.442 -93.9508 -449.694 -205.632 -133.43 -251.5 -171.097 PRESSAVG: 1614400 7.24336 -64.1386 -10.4708 -64.1385 -48.2541 20.2943 -10.4708 20.2943 -10.7485 GPRESSAVG: 1614400 7.4862 -65.2837 -10.8734 -61.0537 -48.0578 19.1372 -10.3565 20.3008 -11.1988 TIMING: 1614400 CPU: 5042.74, 0.00311289/step Wall: 5042.74, 0.00311289/step, 2.9275 hours remaining, 234.570312 MB of memory in use. ENERGY: 1614400 3938.4179 20669.1623 14504.6765 262.2761 -202975.9757 2594.6036 0.0000 0.0000 51519.0552 -109487.7841 296.0807 -161006.8394 -109134.2411 297.9777 -209.8430 -189.1412 764206.5575 -17.2531 -17.2568 PRESSURE: 1614600 -417.765 -152.446 89.42 -152.447 -56.4719 10.4636 89.4199 10.4634 -262.118 GPRESSURE: 1614600 -337.579 -111.053 13.1511 -60.5231 -151.174 32.6568 305.867 51.0131 -171.363 PRESSAVG: 1614600 14.1621 -70.0878 37.6007 -70.0878 -19.3385 14.9005 37.6005 14.9004 -11.0292 GPRESSAVG: 1614600 13.8864 -67.7168 37.453 -71.6883 -19.0405 16.1919 38.6695 15.4478 -10.8545 TIMING: 1614600 CPU: 5043.37, 0.00310893/step Wall: 5043.37, 0.00310893/step, 2.9236 hours remaining, 234.570312 MB of memory in use. ENERGY: 1614600 3995.6919 20586.9652 14383.6172 228.4340 -203661.6219 2693.8435 0.0000 0.0000 52058.7628 -109714.3074 299.1824 -161773.0702 -109344.6133 298.4976 -245.4515 -220.0384 762956.7733 -5.4019 -5.3362 PRESSURE: 1614800 222.413 59.767 -146.816 59.767 -53.5483 41.5495 -146.815 41.549 633.668 GPRESSURE: 1614800 245.927 0.543074 -108.099 114.406 4.90062 27.1974 -134.016 -48.4442 635.088 PRESSAVG: 1614800 20.4368 28.577 -13.6229 28.577 -49.5138 17.6151 -13.623 17.6152 5.71573 GPRESSAVG: 1614800 21.3952 27.2579 -12.1983 27.9266 -49.7756 16.2376 -13.7769 16.5807 5.10854 TIMING: 1614800 CPU: 5043.99, 0.0031099/step Wall: 5043.99, 0.0031099/step, 2.92435 hours remaining, 234.570312 MB of memory in use. ENERGY: 1614800 3969.7526 20478.7180 14452.5053 237.5583 -203612.5950 3142.1521 0.0000 0.0000 51827.5056 -109504.4031 297.8534 -161331.9087 -109146.0583 298.6205 267.5110 295.3051 763834.7817 -7.7871 -7.7573 PRESSURE: 1615000 -196.742 77.8746 -213.063 77.8735 -119.404 -114.861 -213.063 -114.861 135.287 GPRESSURE: 1615000 -144.354 85.051 -268.644 109.327 -141.145 -34.8025 -273.698 -106.19 186.418 PRESSAVG: 1615000 57.4731 13.4898 3.7868 13.4897 -44.2678 35.8841 3.78679 35.8842 -24.6827 GPRESSAVG: 1615000 57.1904 13.8393 1.85264 14.2677 -44.8823 38.1672 5.44041 34.1732 -24.0426 TIMING: 1615000 CPU: 5044.61, 0.00311948/step Wall: 5044.61, 0.00311948/step, 2.93318 hours remaining, 234.570312 MB of memory in use. ENERGY: 1615000 4004.0478 20500.0901 14422.1166 268.2497 -203404.0039 2682.0657 0.0000 0.0000 51980.2640 -109547.1701 298.7313 -161527.4341 -109192.1561 298.6586 -60.2862 -33.0274 764310.5676 -3.8258 -3.9115 PRESSURE: 1615200 320.621 4.68535 -4.92079 4.68471 175.834 91.2639 -4.92074 91.264 403.221 GPRESSURE: 1615200 363.99 -13.887 -89.6456 -12.4405 184.604 192.148 69.177 101.574 428.022 PRESSAVG: 1615200 40.5866 -9.95451 -69.1328 -9.95448 -31.6267 18.3342 -69.1328 18.3343 -2.83518 GPRESSAVG: 1615200 40.1382 -8.84156 -68.6528 -11.797 -31.494 18.2959 -71.8071 21.036 -2.58343 TIMING: 1615200 CPU: 5045.24, 0.00311762/step Wall: 5045.24, 0.00311762/step, 2.93126 hours remaining, 234.570312 MB of memory in use. ENERGY: 1615200 3914.7034 20543.3195 14503.7639 251.4129 -203888.3725 3347.3637 0.0000 0.0000 51973.9040 -109353.9051 298.6947 -161327.8092 -108994.8638 298.6892 299.8921 325.5385 764066.9555 2.0416 2.0203 PRESSURE: 1615400 -137.501 -74.937 -241.723 -74.9375 -268.509 -96.5957 -241.723 -96.5955 -152.059 GPRESSURE: 1615400 -102.569 -80.5815 -209.577 -28.3933 -195.654 -203.543 -286.551 -17.6701 -159.119 PRESSAVG: 1615400 10.9493 45.7182 -37.3799 45.7182 -41.8785 99.1369 -37.3799 99.1369 -10.3156 GPRESSAVG: 1615400 11.463 46.0524 -37.1971 48.2342 -41.0147 97.5483 -35.1768 100.27 -11.1115 TIMING: 1615400 CPU: 5045.86, 0.00311953/step Wall: 5045.86, 0.00311953/step, 2.93288 hours remaining, 234.570312 MB of memory in use. ENERGY: 1615400 4029.3757 20699.0832 14435.8510 254.8097 -203296.1449 2897.4854 0.0000 0.0000 51764.1041 -109215.4357 297.4890 -160979.5399 -108870.0872 298.6097 -186.0227 -152.4472 765234.6147 -13.7483 -13.5544 PRESSURE: 1615600 -158.931 -253.733 86.9969 -253.733 -16.9741 -48.6551 86.9968 -48.6558 362.437 GPRESSURE: 1615600 -101.957 -166.463 112.326 -116.136 -42.1058 -93.0182 181.56 -107.663 405.798 PRESSAVG: 1615600 -38.4495 -40.1079 -22.3126 -40.1079 -6.3621 24.27 -22.3126 24.27 -4.68437 GPRESSAVG: 1615600 -38.2279 -39.7226 -23.1081 -41.0914 -6.7143 24.8668 -24.3152 22.6238 -4.59592 TIMING: 1615600 CPU: 5046.48, 0.00312113/step Wall: 5046.48, 0.00312113/step, 2.93421 hours remaining, 234.570312 MB of memory in use. ENERGY: 1615600 4007.4694 20503.6661 14383.9504 281.6697 -203596.3605 3030.9814 0.0000 0.0000 52153.5298 -109235.0935 299.7271 -161388.6234 -108869.3695 299.4384 62.1774 87.2449 763389.7282 -16.4987 -16.5127 PRESSURE: 1615800 -9.33291 -71.5816 129.21 -71.5811 -20.9297 266.313 129.21 266.315 -44.8818 GPRESSURE: 1615800 -26.3341 -186.242 103.383 31.412 29.5648 197.988 66.8069 181.006 0.953625 PRESSAVG: 1615800 29.8931 -21.3908 -14.608 -21.3908 -11.4567 32.996 -14.6081 32.9959 -14.578 GPRESSAVG: 1615800 29.8796 -22.0642 -14.9221 -21.657 -10.8419 33.8708 -13.7301 31.8475 -14.2032 TIMING: 1615800 CPU: 5047.11, 0.00313543/step Wall: 5047.11, 0.00313543/step, 2.94748 hours remaining, 234.570312 MB of memory in use. ENERGY: 1615800 3946.2979 20816.7579 14447.3098 228.9241 -203356.0980 2693.1791 0.0000 0.0000 52122.1861 -109101.4432 299.5469 -161223.6293 -108740.5184 299.7754 -25.0481 1.3948 763040.8780 1.2861 1.6115 PRESSURE: 1616000 -119.58 208.724 103.959 208.724 -24.2909 2.51062 103.958 2.51135 3.95775 GPRESSURE: 1616000 -77.8857 190.276 2.12658 108.426 9.49627 13.0564 151.34 -19.5084 -1.44894 PRESSAVG: 1616000 -16.5003 9.61382 -1.67137 9.61377 39.3986 23.4837 -1.67133 23.4837 -28.0977 GPRESSAVG: 1616000 -16.3985 8.38085 -2.16745 11.2606 39.0067 21.6422 -2.7803 24.8966 -27.3297 TIMING: 1616000 CPU: 5047.74, 0.00312914/step Wall: 5047.74, 0.00312914/step, 2.94139 hours remaining, 234.570312 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: 1616000 3920.3311 20523.6434 14482.2847 243.2530 -203038.9778 2628.8873 0.0000 0.0000 52146.3482 -109094.2300 299.6858 -161240.5782 -108729.8250 299.3185 -46.6376 -23.2794 763264.3698 -1.7331 -1.5738 PRESSURE: 1616200 -176.515 95.7269 341.043 95.7259 -120.14 -3.03705 341.044 -3.03717 -217.147 GPRESSURE: 1616200 -74.5459 54.9848 262.863 174.985 -112.079 34.0533 288.325 46.6664 -232.209 PRESSAVG: 1616200 71.3193 24.0461 42.1687 24.046 -65.909 16.9395 42.1686 16.9395 10.6423 GPRESSAVG: 1616200 70.7181 23.4115 42.0398 25.0634 -65.3563 19.036 42.7681 15.7176 10.7549 TIMING: 1616200 CPU: 5048.36, 0.00313477/step Wall: 5048.36, 0.00313477/step, 2.94651 hours remaining, 234.570312 MB of memory in use. ENERGY: 1616200 4030.6066 20542.7591 14407.6683 238.0676 -203344.1723 2653.5458 0.0000 0.0000 52061.8387 -109409.6863 299.2001 -161471.5249 -109038.9170 299.3733 -171.2673 -139.6113 761078.0958 5.3509 5.3722 LDB: ============= START OF LOAD BALANCING ============== 5060.84 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5060.84 LDB: =============== DONE WITH MIGRATION ================ 5060.84 LDB: ============= START OF LOAD BALANCING ============== 5061.16 LDB: Largest compute 6971 load 0.029864 is 15.3% of average load 0.195129 LDB: Average compute 0.004374 is 2.2% of average load 0.195129 LDB: TIME 5061.16 LOAD: AVG 0.195129 MAX 0.221272 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.051 MB LDB: TIME 5061.16 LOAD: AVG 0.195129 MAX 0.221272 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.051 MB LDB: TIME 5061.16 LOAD: AVG 0.195129 MAX 0.213493 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.051 MB LDB: ============== END OF LOAD BALANCING =============== 5061.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5061.17 PRESSURE: 1616400 322.389 134.399 105.695 134.4 133.308 -75.9686 105.695 -75.969 -206.52 GPRESSURE: 1616400 375.648 158.432 -31.0243 162.503 44.0141 -59.6888 99.4284 -160.471 -85.9736 PRESSAVG: 1616400 76.3253 3.55343 15.4344 3.55342 -57.0359 48.4918 15.4344 48.4918 -6.89734 GPRESSAVG: 1616400 76.5241 5.05187 15.6144 2.27817 -58.3138 48.3651 14.3753 49.1957 -6.7728 TIMING: 1616400 CPU: 5049, 0.00319022/step Wall: 5049, 0.00319022/step, 2.99846 hours remaining, 233.539062 MB of memory in use. ENERGY: 1616400 3956.7854 20630.6178 14374.8953 229.3411 -203289.4665 2741.2184 0.0000 0.0000 51923.5709 -109433.0374 298.4055 -161356.6084 -109070.8225 299.0216 83.0590 111.2296 763625.9759 4.1307 3.8125 PRESSURE: 1616600 -115.591 -57.5979 -134.266 -57.5985 -22.0435 305.573 -134.266 305.573 -9.792 GPRESSURE: 1616600 -144.236 -200.904 -196.526 -33.9928 68.9132 324.645 -86.198 260.205 5.89402 PRESSAVG: 1616600 20.8841 17.4322 -1.32944 17.4322 -24.8152 40.7931 -1.32949 40.7931 -7.87288 GPRESSAVG: 1616600 21.293 17.0522 -2.03166 16.8403 -24.0146 40.6158 -1.02464 41.3209 -9.02465 TIMING: 1616600 CPU: 5049.63, 0.00314381/step Wall: 5049.63, 0.00314381/step, 2.95466 hours remaining, 233.539062 MB of memory in use. ENERGY: 1616600 4027.5806 20565.6419 14436.5362 255.1318 -203310.6980 2818.3062 0.0000 0.0000 51901.4608 -109306.0404 298.2784 -161207.5012 -108949.3122 298.9920 -49.1421 -23.1429 763378.3088 -3.9347 -3.9154 PRESSURE: 1616800 142.621 -135.992 -66.1893 -135.992 65.823 -379.542 -66.1885 -379.543 -89.8322 GPRESSURE: 1616800 150.676 -178.57 -62.4234 -58.6597 132.439 -366.897 -135.163 -238.883 -81.5411 PRESSAVG: 1616800 35.3154 1.00306 19.7676 1.00301 -10.9604 68.8453 19.7676 68.8453 -34.5928 GPRESSAVG: 1616800 35.9245 1.83327 19.8266 0.961767 -12.2712 68.3779 22.5411 68.8259 -33.406 TIMING: 1616800 CPU: 5050.26, 0.00313377/step Wall: 5050.26, 0.00313377/step, 2.94505 hours remaining, 233.539062 MB of memory in use. ENERGY: 1616800 3904.2073 20600.4737 14514.0405 246.7137 -203150.8907 2753.5098 0.0000 0.0000 51941.6888 -109190.2569 298.5096 -161131.9457 -108830.3557 299.2300 39.5373 67.1913 764472.0112 -3.4126 -3.2509 PRESSURE: 1617000 195.499 79.4285 119.466 79.4288 -63.265 127.11 119.466 127.11 118.048 GPRESSURE: 1617000 223.174 163.782 86.3707 116.952 8.5396 179.401 65.0188 80.7908 79.1643 PRESSAVG: 1617000 -18.3182 -52.6158 -7.31274 -52.6158 3.62794 24.1431 -7.31271 24.1431 7.60733 GPRESSAVG: 1617000 -19.4114 -51.7658 -6.37818 -53.8691 5.24945 24.582 -8.29507 22.8755 6.95121 TIMING: 1617000 CPU: 5050.88, 0.00313644/step Wall: 5050.88, 0.00313644/step, 2.94739 hours remaining, 233.539062 MB of memory in use. ENERGY: 1617000 3908.5572 20680.5633 14466.3269 245.9156 -202783.1983 2503.8345 0.0000 0.0000 51879.5905 -109098.4103 298.1527 -160978.0008 -108736.9250 299.1662 83.4273 103.6261 765456.0987 -2.3610 -2.4036 PRESSURE: 1617200 387.042 -273.338 81.167 -273.338 29.198 82.0233 81.1664 82.0229 97.4915 GPRESSURE: 1617200 335.726 -182.991 257.983 -194.086 155.41 101.534 -3.81589 58.111 108.17 PRESSAVG: 1617200 -1.14477 -39.0179 -36.5509 -39.0179 -0.614732 26.9426 -36.5508 26.9426 23.2551 GPRESSAVG: 1617200 -0.79298 -38.3024 -35.4297 -39.764 -0.0846922 25.8076 -38.4377 27.7409 22.0098 TIMING: 1617200 CPU: 5051.51, 0.003129/step Wall: 5051.51, 0.003129/step, 2.94021 hours remaining, 233.539062 MB of memory in use. ENERGY: 1617200 3967.4876 20689.6238 14369.0472 248.7666 -203377.8848 2841.3210 0.0000 0.0000 52142.1337 -109119.5049 299.6616 -161261.6385 -108757.8209 299.7040 171.2440 199.7688 763324.9913 7.1652 7.0440 PRESSURE: 1617400 -51.1321 9.0319 98.6578 9.03221 -247.965 128.945 98.6581 128.946 214.411 GPRESSURE: 1617400 -124.833 86.6956 112.641 43.7696 -213.555 107.474 26.4578 79.4503 345.843 PRESSAVG: 1617400 -1.14194 -57.7051 20.5272 -57.7051 34.7367 58.8895 20.5272 58.8894 17.4773 GPRESSAVG: 1617400 -1.83349 -56.177 19.2473 -56.9601 33.3147 58.9416 21.6038 58.6804 19.6437 TIMING: 1617400 CPU: 5052.13, 0.0031151/step Wall: 5052.13, 0.0031151/step, 2.92698 hours remaining, 233.539062 MB of memory in use. ENERGY: 1617400 3927.8584 20535.4866 14348.6263 253.6827 -203009.0597 2777.2948 0.0000 0.0000 52276.5344 -108889.5765 300.4340 -161166.1109 -108525.3743 299.5605 -28.2288 2.4851 764447.8748 17.0240 17.0417 PRESSURE: 1617600 105.938 107.079 141.445 107.079 292.96 -35.8264 141.445 -35.8261 301.175 GPRESSURE: 1617600 132.626 50.4838 161.992 183.696 375.97 -56.1137 228.95 -163.973 292.662 PRESSAVG: 1617600 -15.0909 24.2602 -13.2575 24.2602 -3.96347 -14.1843 -13.2575 -14.1843 -13.7472 GPRESSAVG: 1617600 -14.7447 21.7874 -13.2444 22.5718 -3.05737 -13.1417 -13.9443 -15.3979 -14.975 TIMING: 1617600 CPU: 5052.76, 0.00313007/step Wall: 5052.76, 0.00313007/step, 2.94088 hours remaining, 233.539062 MB of memory in use. ENERGY: 1617600 3919.3615 20418.3994 14351.7932 247.4856 -203020.2158 2881.1199 0.0000 0.0000 52098.9429 -109103.1132 299.4133 -161202.0561 -108743.9592 299.3311 233.3575 267.0860 762546.3318 -10.9338 -10.9257 PRESSURE: 1617800 94.1688 87.8963 20.2581 87.8963 -248.142 -42.21 20.2579 -42.2094 165.474 GPRESSURE: 1617800 11.0318 -2.05655 29.3611 144.739 -78.2036 -13.4869 68.0814 73.3954 144.244 PRESSAVG: 1617800 -5.9762 51.8055 6.68123 51.8055 -9.57505 24.7776 6.68126 24.7777 -1.07191 GPRESSAVG: 1617800 -6.91427 49.3078 7.4348 54.1139 -8.95525 23.4629 6.93578 27.5083 -0.707767 TIMING: 1617800 CPU: 5053.39, 0.00313688/step Wall: 5053.39, 0.00313688/step, 2.9471 hours remaining, 233.539062 MB of memory in use. ENERGY: 1617800 4022.6116 20593.9947 14382.0072 253.1966 -202752.0774 2610.8611 0.0000 0.0000 51944.5749 -108944.8313 298.5262 -160889.4062 -108583.6128 299.2244 3.8337 25.6908 764782.5791 -5.5411 -5.5258 PRESSURE: 1618000 -15.4847 153.338 -320.392 153.338 141.724 -40.8805 -320.392 -40.8814 -140.857 GPRESSURE: 1618000 26.826 368.104 -349.254 134.475 100.309 -169.579 -319.113 60.3396 -75.3406 PRESSAVG: 1618000 5.64299 -12.5416 -26.9626 -12.5416 5.08488 -3.46605 -26.9626 -3.46611 -15.1124 GPRESSAVG: 1618000 6.29241 -10.6425 -26.9068 -12.9522 4.37317 -4.10846 -27.6103 -3.78885 -15.1778 TIMING: 1618000 CPU: 5054.01, 0.00313061/step Wall: 5054.01, 0.00313061/step, 2.94103 hours remaining, 233.539062 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: 1618000 4042.5541 20567.7574 14274.6779 236.9744 -202862.9508 2719.5890 0.0000 0.0000 52137.0994 -108884.2985 299.6326 -161021.3979 -108525.1934 299.9438 -4.8727 17.2648 763401.3750 -1.4615 -1.5041 PRESSURE: 1618200 -95.392 31.2474 -21.6633 31.2473 191.369 94.6919 -21.6628 94.6916 118.808 GPRESSURE: 1618200 -126.43 27.5592 -49.3721 -70.8078 240.307 50.2985 -74.3338 122.861 172.892 PRESSAVG: 1618200 -27.8316 -9.15924 -43.9472 -9.15928 82.7981 8.26126 -43.9472 8.26126 19.2447 GPRESSAVG: 1618200 -27.6216 -9.23019 -44.4737 -7.69984 81.4586 11.0363 -45.0159 7.37366 20.0988 TIMING: 1618200 CPU: 5054.64, 0.00313739/step Wall: 5054.64, 0.00313739/step, 2.94723 hours remaining, 233.539062 MB of memory in use. ENERGY: 1618200 3891.0969 20722.3793 14483.9205 233.2807 -203136.6206 2533.2752 0.0000 0.0000 52437.5883 -108835.0796 301.3595 -161272.6679 -108465.0282 300.1192 71.5951 95.5893 762944.5290 24.7371 24.6453 PRESSURE: 1618400 27.4985 -16.9587 234.572 -16.9588 160.391 28.9977 234.572 28.9977 -101.495 GPRESSURE: 1618400 24.3347 -70.1464 206.466 -90.1325 250.088 18.4938 9.32454 131.07 -94.6086 PRESSAVG: 1618400 13.7672 -45.3783 -3.06229 -45.3783 25.0997 -26.2406 -3.06233 -26.2405 -11.2652 GPRESSAVG: 1618400 13.1462 -44.9611 -4.14609 -48.5265 26.7959 -26.9648 -2.11641 -24.3393 -12.2585 TIMING: 1618400 CPU: 5055.27, 0.00315352/step Wall: 5055.27, 0.00315352/step, 2.96221 hours remaining, 233.539062 MB of memory in use. ENERGY: 1618400 3956.8595 20452.4585 14445.9710 240.0790 -202918.1396 2650.1668 0.0000 0.0000 52368.3404 -108804.2643 300.9616 -161172.6047 -108432.3584 300.2550 28.7982 59.9381 762307.3369 9.2006 9.2279 PRESSURE: 1618600 142.549 90.7379 -60.1708 90.7374 279.232 -100.46 -60.1703 -100.46 -20.746 GPRESSURE: 1618600 292.576 75.4478 10.3432 1.19294 222.703 -141.505 -172.385 -72.9184 -16.1704 PRESSAVG: 1618600 -38.0343 1.11372 17.586 1.11371 33.1475 33.8403 17.5861 33.8403 -15.2068 GPRESSAVG: 1618600 -38.5746 0.420956 20.019 2.78147 33.0001 32.216 15.9145 32.4942 -14.6862 TIMING: 1618600 CPU: 5055.9, 0.00314815/step Wall: 5055.9, 0.00314815/step, 2.95699 hours remaining, 233.539062 MB of memory in use. ENERGY: 1618600 3910.6073 20581.5807 14442.2329 250.6456 -203249.5340 2786.2401 0.0000 0.0000 52285.4021 -108992.8254 300.4849 -161278.2275 -108616.9017 299.9517 133.6782 166.3697 761959.3505 -6.6979 -6.7536 PRESSURE: 1618800 144.6 -115.969 -120.244 -115.969 272.347 38.0066 -120.243 38.0073 316.883 GPRESSURE: 1618800 220.317 -118.748 -125.698 -250.631 294.67 18.111 -73.4093 66.1664 302.117 PRESSAVG: 1618800 5.63841 7.05425 48.3503 7.05423 0.450464 -3.25599 48.3504 -3.25598 24.2069 GPRESSAVG: 1618800 6.87684 8.18545 47.1718 3.76357 -0.380802 -1.50637 49.9028 -4.35211 23.8269 TIMING: 1618800 CPU: 5056.53, 0.00313515/step Wall: 5056.53, 0.00313515/step, 2.9446 hours remaining, 233.539062 MB of memory in use. ENERGY: 1618800 4038.8389 20501.9550 14478.2495 244.1806 -202836.1856 2556.5790 0.0000 0.0000 51989.2953 -109027.0874 298.7832 -161016.3827 -108670.0637 299.4183 244.6099 272.3680 762154.6801 10.0986 10.1076 PRESSURE: 1619000 -33.6003 -127.004 56.5628 -127.004 -366.448 -23.1154 56.563 -23.1156 425.628 GPRESSURE: 1619000 -45.8224 74.261 50.1245 -101.887 -289.458 -7.34265 161.268 -55.0867 451.956 PRESSAVG: 1619000 -15.7683 -10.269 26.2469 -10.269 23.1302 33.2543 26.2469 33.2543 11.3594 GPRESSAVG: 1619000 -14.7649 -8.84355 25.8119 -9.83372 22.3857 33.6285 26.1704 32.9908 11.2788 TIMING: 1619000 CPU: 5057.15, 0.00313191/step Wall: 5057.15, 0.00313191/step, 2.94139 hours remaining, 233.539062 MB of memory in use. ENERGY: 1619000 3954.0236 20534.7001 14413.2109 246.2193 -203110.9784 2454.6652 0.0000 0.0000 52431.7256 -109076.4337 301.3258 -161508.1593 -108708.5363 299.6782 8.5264 38.8918 762606.8764 6.2405 6.2999 PRESSURE: 1619200 40.2396 -259.664 44.8261 -259.664 171.539 198.961 44.8256 198.963 176.563 GPRESSURE: 1619200 72.0759 -247.931 70.8179 -236.174 154.913 152.245 -23.575 184.556 235.277 PRESSAVG: 1619200 -16.3772 3.67292 25.7578 3.67294 2.05709 -30.0256 25.7578 -30.0256 9.38851 GPRESSAVG: 1619200 -17.3939 2.82027 25.5783 5.48933 3.40434 -30.9105 26.1213 -28.8982 8.84584 TIMING: 1619200 CPU: 5057.79, 0.00315339/step Wall: 5057.79, 0.00315339/step, 2.96138 hours remaining, 233.539062 MB of memory in use. ENERGY: 1619200 3945.3863 20697.4643 14492.4890 247.4122 -203585.0128 3014.2289 0.0000 0.0000 51978.5092 -109209.5228 298.7212 -161188.0320 -108861.6444 299.4283 129.4473 154.0886 761912.0896 -1.6439 -1.7146 PRESSURE: 1619400 -104.67 12.9331 94.2196 12.9332 16.4704 -51.8911 94.2195 -51.8913 -96.0223 GPRESSURE: 1619400 -25.9679 27.1431 131.654 62.8853 107.841 -89.2795 163.538 37.6044 -176.548 PRESSAVG: 1619400 -40.1563 -38.9556 -0.469203 -38.9556 51.5443 3.37379 -0.469209 3.37384 6.73426 GPRESSAVG: 1619400 -40.9322 -39.5801 -0.0984501 -37.5267 51.5019 3.38675 0.582893 3.72233 7.57256 TIMING: 1619400 CPU: 5058.41, 0.00312011/step Wall: 5058.41, 0.00312011/step, 2.92996 hours remaining, 233.539062 MB of memory in use. ENERGY: 1619400 3995.1777 20554.9629 14385.2510 246.1490 -203546.2706 3060.3450 0.0000 0.0000 52140.4655 -109163.9196 299.6520 -161304.3851 -108811.7754 299.7362 -61.4074 -31.5584 762969.6431 6.0408 6.0474 PRESSURE: 1619600 30.3716 144.517 -133.84 144.518 60.8535 -45.0159 -133.84 -45.0155 22.7323 GPRESSURE: 1619600 32.0803 103.031 -114.132 71.7291 98.4097 -54.8637 -57.5146 0.583648 64.0652 PRESSAVG: 1619600 9.42122 -36.46 28.3826 -36.46 9.58446 -39.1618 28.3826 -39.1618 -4.2143 GPRESSAVG: 1619600 10.3056 -36.5892 29.3822 -36.7584 9.2002 -39.87 27.0182 -39.2185 -5.01375 TIMING: 1619600 CPU: 5059.03, 0.00312697/step Wall: 5059.03, 0.00312696/step, 2.93622 hours remaining, 233.539062 MB of memory in use. ENERGY: 1619600 3964.3164 20557.7293 14483.8052 261.7135 -203668.2849 2901.9135 0.0000 0.0000 52356.2652 -109142.5418 300.8922 -161498.8069 -108783.9513 299.9197 37.9858 64.8517 763924.7047 4.9305 4.8307 PRESSURE: 1619800 -64.9185 146.027 -219.839 146.027 302.678 -160.367 -219.839 -160.369 74.8986 GPRESSURE: 1619800 29.4308 86.8481 -196.582 158.422 228.901 -72.491 -181.416 -93.9689 138.924 PRESSAVG: 1619800 -0.179507 13.118 -5.89175 13.118 21.584 40.2175 -5.89182 40.2175 9.01519 GPRESSAVG: 1619800 1.0329 11.8352 -5.22008 13.1706 19.8843 42.1413 -5.21779 40.0681 9.33239 TIMING: 1619800 CPU: 5059.66, 0.00312238/step Wall: 5059.66, 0.00312238/step, 2.93175 hours remaining, 233.539062 MB of memory in use. ENERGY: 1619800 3990.7061 20462.4132 14495.7356 254.4045 -203554.4777 3008.1196 0.0000 0.0000 52069.0158 -109274.0829 299.2413 -161343.0987 -108905.3533 299.4814 104.2192 132.4186 762322.6304 10.1399 10.0832 PRESSURE: 1620000 76.4824 -41.929 -309.559 -41.9303 -13.6294 100.324 -309.558 100.326 -228.205 GPRESSURE: 1620000 53.104 0.667203 -312.094 -68.1831 56.2331 11.4956 -291.969 23.2817 -185.663 PRESSAVG: 1620000 25.3407 14.6306 1.90305 14.6305 -14.4826 -3.78308 1.9031 -3.78306 -10.6707 GPRESSAVG: 1620000 23.7025 15.2747 0.0753427 14.1369 -11.9168 -5.9376 3.10414 -2.32812 -11.2928 TIMING: 1620000 CPU: 5060.28, 0.00311798/step Wall: 5060.28, 0.00311798/step, 2.92744 hours remaining, 233.539062 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: 1620000 3989.5457 20611.3091 14405.3663 236.2902 -202954.6423 2520.5134 0.0000 0.0000 52086.3414 -109105.2761 299.3409 -161191.6175 -108735.2806 299.4043 -55.1172 -25.4418 763971.7655 0.0625 0.1643 PRESSURE: 1620200 -298.508 210.838 129.133 210.839 32.0945 -101.801 129.133 -101.803 -38.3253 GPRESSURE: 1620200 -250.921 50.9842 197.258 144.252 47.7371 -57.9269 107.744 -168.897 -24.3784 PRESSAVG: 1620200 7.25767 25.9908 1.13437 25.9908 -6.457 -36.846 1.13445 -36.8461 -16.9235 GPRESSAVG: 1620200 7.99128 26.1127 1.64649 27.0263 -7.69744 -35.3601 0.594672 -37.8979 -16.0533 TIMING: 1620200 CPU: 5060.91, 0.00313543/step Wall: 5060.91, 0.00313543/step, 2.94365 hours remaining, 233.539062 MB of memory in use. ENERGY: 1620200 4003.7381 20381.0133 14497.9532 245.7762 -202978.2703 2366.9272 0.0000 0.0000 52192.6775 -109290.1848 299.9520 -161482.8623 -108927.4969 299.3196 -101.5795 -75.8542 762799.1481 -5.3743 -5.2531 LDB: ============= START OF LOAD BALANCING ============== 5073.39 LDB: ============== END OF LOAD BALANCING =============== 5073.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5073.39 LDB: ============= START OF LOAD BALANCING ============== 5073.7 LDB: Largest compute 6971 load 0.030254 is 15.5% of average load 0.195059 LDB: Average compute 0.004387 is 2.2% of average load 0.195059 LDB: TIME 5073.71 LOAD: AVG 0.195059 MAX 0.215492 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.051 MB LDB: TIME 5073.71 LOAD: AVG 0.195059 MAX 0.215492 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.145 MB LDB: TIME 5073.71 LOAD: AVG 0.195059 MAX 0.215492 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.145 MB LDB: ============== END OF LOAD BALANCING =============== 5073.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5073.71 PRESSURE: 1620400 191.474 129.44 135.693 129.439 -121.39 96.4551 135.693 96.4555 -43.9639 GPRESSURE: 1620400 207.031 127.343 179.508 102.165 -80.7727 61.6972 27.9779 92.3204 -30.701 PRESSAVG: 1620400 10.584 40.3625 21.253 40.3624 2.48362 -8.23391 21.253 -8.2338 -2.67739 GPRESSAVG: 1620400 10.656 39.749 21.8839 40.5388 1.94723 -8.28885 18.9545 -8.95566 -2.22602 TIMING: 1620400 CPU: 5061.55, 0.00319313/step Wall: 5061.55, 0.00319313/step, 2.99764 hours remaining, 233.539062 MB of memory in use. ENERGY: 1620400 3920.8778 20437.7318 14483.0820 251.1921 -203071.5213 2532.5496 0.0000 0.0000 52090.8352 -109355.2528 299.3667 -161446.0880 -108990.0729 298.9634 8.7068 31.8523 762490.1320 3.4634 3.4591 PRESSURE: 1620600 -305.121 126.341 6.57525 126.341 3.3506 189.989 6.57561 189.989 512.575 GPRESSURE: 1620600 -156.081 148.826 -21.064 139.822 64.8607 190.908 33.776 102.946 393.292 PRESSAVG: 1620600 8.67053 27.9018 17.232 27.9018 36.6753 -22.5966 17.232 -22.5965 -5.39699 GPRESSAVG: 1620600 7.55646 25.4747 17.0009 29.9814 38.2336 -25.949 18.3056 -22.0092 -5.83474 TIMING: 1620600 CPU: 5062.17, 0.00311734/step Wall: 5062.17, 0.00311734/step, 2.92631 hours remaining, 233.539062 MB of memory in use. ENERGY: 1620600 4004.6191 20521.4936 14488.7965 244.7707 -203373.4926 2746.8357 0.0000 0.0000 52104.3916 -109262.5855 299.4447 -161366.9771 -108912.8221 299.0775 70.2684 100.6905 762042.3898 13.3163 13.3184 PRESSURE: 1620800 91.0222 72.0679 103.252 72.0671 -27.6461 -49.6994 103.253 -49.6992 23.6647 GPRESSURE: 1620800 131.299 121.355 10.1403 55.3046 -42.6404 10.6427 196.831 -14.5528 76.426 PRESSAVG: 1620800 39.4458 46.0218 6.55872 46.0218 5.66794 -3.56911 6.55877 -3.5691 0.152188 GPRESSAVG: 1620800 40.4765 49.3244 7.68531 44.3989 4.86632 -1.01349 7.4607 -3.01104 -0.22893 TIMING: 1620800 CPU: 5062.8, 0.00313329/step Wall: 5062.8, 0.00313329/step, 2.94111 hours remaining, 233.539062 MB of memory in use. ENERGY: 1620800 4050.2469 20530.3260 14494.5193 256.4989 -203641.1205 2797.3416 0.0000 0.0000 52082.8257 -109429.3620 299.3207 -161512.1876 -109067.7245 299.0791 29.0136 55.0282 760845.8888 15.0886 15.0379 PRESSURE: 1621000 -332.192 68.0013 115.005 68.0011 -170.346 -126.241 115.005 -126.241 -427.253 GPRESSURE: 1621000 -303.72 54.2743 50.8168 150.896 -116.822 -85.1376 6.28389 -133.98 -411.865 PRESSAVG: 1621000 -11.3867 4.29052 44.0669 4.29051 18.3877 -1.92495 44.0669 -1.92499 4.57399 GPRESSAVG: 1621000 -12.2229 5.20371 43.0152 3.64549 19.4728 -0.891194 44.3733 -2.52791 4.59954 TIMING: 1621000 CPU: 5063.43, 0.00314296/step Wall: 5063.43, 0.00314296/step, 2.95002 hours remaining, 233.539062 MB of memory in use. ENERGY: 1621000 3985.3820 20502.2107 14446.1714 236.5307 -203010.3880 2519.7166 0.0000 0.0000 52020.7111 -109299.6655 298.9637 -161320.3767 -108928.7871 299.0593 -309.9302 -277.4692 763648.0586 3.8583 3.9498 PRESSURE: 1621200 -482.517 -8.87235 101.448 -8.87334 -68.0441 154.803 101.447 154.804 -241.211 GPRESSURE: 1621200 -415.283 8.06111 166.577 4.88799 -66.7666 75.6743 52.2391 231.563 -212.51 PRESSAVG: 1621200 -27.2916 11.3851 -33.3521 11.3851 63.9034 -35.1347 -33.3521 -35.1347 2.53069 GPRESSAVG: 1621200 -27.1141 9.91651 -33.4181 10.4159 62.1635 -35.7116 -34.9877 -35.5685 4.25295 TIMING: 1621200 CPU: 5064.05, 0.00313137/step Wall: 5064.05, 0.00313137/step, 2.93896 hours remaining, 233.539062 MB of memory in use. ENERGY: 1621200 3990.6949 20556.6897 14432.6850 256.0021 -203051.9031 2355.5620 0.0000 0.0000 52208.7634 -109251.5060 300.0445 -161460.2694 -108876.5362 299.4205 -263.9241 -231.5199 763374.7809 13.0475 13.1008 PRESSURE: 1621400 155.247 131.059 64.9577 131.06 -52.4934 58.9041 64.958 58.9042 218.884 GPRESSURE: 1621400 197.193 57.7133 -6.38823 203.279 -39.3713 56.2394 76.3429 -101.546 243.845 PRESSAVG: 1621400 -26.3583 17.7075 25.5455 17.7075 -4.84599 -27.2135 25.5454 -27.2135 -21.3114 GPRESSAVG: 1621400 -27.3553 17.7544 25.7362 19.6642 -4.12366 -28.2589 25.4208 -26.6873 -20.6662 TIMING: 1621400 CPU: 5064.68, 0.00311296/step Wall: 5064.68, 0.00311296/step, 2.92151 hours remaining, 233.539062 MB of memory in use. ENERGY: 1621400 3876.9694 20722.5462 14452.9020 240.1451 -203412.3345 2652.1302 0.0000 0.0000 52150.8539 -109316.7876 299.7117 -161467.6415 -108952.8342 299.2967 107.2124 133.8889 763043.1923 -17.5052 -17.3817 PRESSURE: 1621600 -102.251 -193.272 -96.7548 -193.273 106.054 -65.1572 -96.7552 -65.1572 -178.501 GPRESSURE: 1621600 -68.3812 -168.37 -41.2431 -73.8263 169.054 -87.04 -160.868 -3.80012 -174.76 PRESSAVG: 1621600 -15.8553 -18.7829 28.3858 -18.7828 41.9277 -14.8103 28.3857 -14.8102 -11.2629 GPRESSAVG: 1621600 -14.4986 -18.6317 27.851 -20.2451 42.4129 -13.1749 28.4656 -15.1784 -13.3605 TIMING: 1621600 CPU: 5065.3, 0.00311314/step Wall: 5065.3, 0.00311314/step, 2.92151 hours remaining, 233.539062 MB of memory in use. ENERGY: 1621600 3922.5061 20549.7660 14510.0448 237.4657 -203398.4734 2725.7711 0.0000 0.0000 52139.9911 -109312.9287 299.6492 -161452.9198 -108945.1956 299.3199 -58.2329 -24.6957 761785.6538 4.9365 4.8513 PRESSURE: 1621800 -128.315 191.736 -61.5205 191.736 -313.782 -24.6959 -61.5207 -24.6961 -119.921 GPRESSURE: 1621800 -116.907 94.2998 -74.2394 134.296 -290.488 -11.7148 -96.792 17.0396 -83.2829 PRESSAVG: 1621800 -30.1368 35.4415 14.6033 35.4414 19.5995 -19.2549 14.6033 -19.255 -9.71922 GPRESSAVG: 1621800 -29.4304 34.9792 14.1621 36.8596 19.3168 -19.5924 15.1144 -18.8022 -10.1041 TIMING: 1621800 CPU: 5065.92, 0.00310222/step Wall: 5065.92, 0.00310222/step, 2.91109 hours remaining, 233.539062 MB of memory in use. ENERGY: 1621800 4006.3104 20680.7811 14410.3934 243.2560 -203349.9881 2546.1260 0.0000 0.0000 52215.5889 -109247.5323 300.0837 -161463.1212 -108889.2707 299.0988 -187.3396 -163.5592 762317.9085 -6.7522 -6.7392 PRESSURE: 1622000 -397.472 -17.7541 -147.458 -17.7531 -272.245 104.567 -147.459 104.568 -545.129 GPRESSURE: 1622000 -317.669 -59.8768 -127.114 -23.1911 -234.525 134.641 34.1182 -0.672528 -564.224 PRESSAVG: 1622000 -4.22638 24.9946 11.9097 24.9945 50.6322 3.78047 11.9098 3.78043 -5.54304 GPRESSAVG: 1622000 -3.32448 26.1576 13.0048 24.1263 49.46 4.08297 10.8739 4.24715 -4.37676 TIMING: 1622000 CPU: 5066.54, 0.00311503/step Wall: 5066.54, 0.00311503/step, 2.92294 hours remaining, 233.539062 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: 1622000 4053.7855 20376.2536 14412.9269 240.4331 -202834.4110 2357.0421 0.0000 0.0000 52083.5417 -109310.4279 299.3248 -161393.9697 -108934.8502 299.2133 -404.9490 -372.1391 762556.4839 13.6209 13.9196 PRESSURE: 1622200 -107.205 226.824 143.953 226.825 176.387 86.2488 143.954 86.2478 -60.2951 GPRESSURE: 1622200 -9.3873 188.324 133.357 219.036 60.6776 191.907 104.686 96.2891 32.0042 PRESSAVG: 1622200 -11.8136 2.69828 -38.4808 2.69828 -7.22599 -0.931483 -38.4809 -0.931508 -8.10422 GPRESSAVG: 1622200 -12.2805 0.784018 -38.999 3.08878 -5.54119 -1.23645 -36.7849 -1.19516 -9.03406 TIMING: 1622200 CPU: 5067.17, 0.00311581/step Wall: 5067.17, 0.00311581/step, 2.9235 hours remaining, 233.539062 MB of memory in use. ENERGY: 1622200 3955.9945 20571.0581 14338.9132 221.7678 -203050.1489 2491.8470 0.0000 0.0000 52129.6294 -109340.9391 299.5897 -161470.5684 -108969.8006 299.6174 2.9620 27.7648 761627.3545 -9.0479 -8.9519 PRESSURE: 1622400 17.956 -0.338549 -160.87 -0.339282 -203.288 55.8529 -160.87 55.8528 -261.726 GPRESSURE: 1622400 -13.7282 47.8239 -172.668 -197.297 -147.873 -43.5063 -148.771 67.7299 -194.916 PRESSAVG: 1622400 -10.9034 0.699042 13.8331 0.699047 20.7646 34.1949 13.8331 34.1949 8.26255 GPRESSAVG: 1622400 -11.5561 0.562054 13.6709 1.42956 21.2244 35.2608 14.3322 33.2602 8.44212 TIMING: 1622400 CPU: 5067.79, 0.00311434/step Wall: 5067.79, 0.00311434/step, 2.92194 hours remaining, 233.539062 MB of memory in use. ENERGY: 1622400 3920.1097 20528.9105 14521.0493 250.7163 -202724.9259 2250.6949 0.0000 0.0000 52334.4867 -108918.9585 300.7670 -161253.4452 -108557.0266 299.5646 -149.0192 -118.8390 762563.3011 6.0412 6.0368 PRESSURE: 1622600 -252.56 -68.2584 -296.324 -68.2587 -45.0914 -30.8614 -296.325 -30.8621 -37.7784 GPRESSURE: 1622600 -232.695 -124.62 -261.166 74.7012 41.8999 13.2106 -255.838 -70.8721 -61.6663 PRESSAVG: 1622600 15.0049 -26.7452 -26.6607 -26.7452 23.1204 -53.0889 -26.6607 -53.0889 -16.1217 GPRESSAVG: 1622600 17.0534 -24.8505 -25.7613 -28.612 21.9058 -55.3008 -27.8504 -54.3777 -17.0015 TIMING: 1622600 CPU: 5068.41, 0.00312724/step Wall: 5068.41, 0.00312724/step, 2.93388 hours remaining, 233.539062 MB of memory in use. ENERGY: 1622600 4003.0415 20605.8536 14465.4674 259.4737 -203091.1629 2387.5355 0.0000 0.0000 52142.1375 -109227.6537 299.6616 -161369.7911 -108871.0027 299.4132 -111.8099 -84.1538 760585.9006 7.3345 7.3193 PRESSURE: 1622800 -114.919 -73.4153 -27.4856 -73.4153 -65.1721 26.6478 -27.4856 26.648 -146.791 GPRESSURE: 1622800 -188.492 74.3773 -68.3343 -107.177 55.8108 155.766 79.5654 59.6126 -110.488 PRESSAVG: 1622800 -34.3732 -9.82044 -27.3274 -9.82042 -33.3769 1.46356 -27.3274 1.4636 11.6602 GPRESSAVG: 1622800 -35.5497 -9.5518 -28.8009 -8.88338 -33.3069 1.93411 -26.5544 4.45066 12.7771 TIMING: 1622800 CPU: 5069.04, 0.00311894/step Wall: 5069.04, 0.00311894/step, 2.92591 hours remaining, 233.539062 MB of memory in use. ENERGY: 1622800 4002.4803 20653.3660 14448.2545 235.3202 -203523.5105 2832.6661 0.0000 0.0000 51974.9961 -109376.4272 298.7010 -161351.4233 -109028.6875 298.9484 -108.9606 -81.0563 762436.8945 -18.6966 -18.6932 PRESSURE: 1623000 -59.0602 -94.423 25.6692 -94.4234 43.891 104.595 25.6686 104.596 400.231 GPRESSURE: 1623000 -13.916 -129.604 -64.6039 -117.449 78.2504 75.6257 -2.57148 128.024 406.027 PRESSAVG: 1623000 20.3571 -10.2844 53.6662 -10.2844 -28.7313 -58.2004 53.6662 -58.2003 9.29522 GPRESSAVG: 1623000 20.699 -11.3995 54.7749 -9.5876 -28.9608 -57.3359 52.2267 -59.8834 9.57202 TIMING: 1623000 CPU: 5069.66, 0.00311495/step Wall: 5069.66, 0.00311495/step, 2.92199 hours remaining, 233.539062 MB of memory in use. ENERGY: 1623000 4038.5902 20396.7416 14476.7581 237.5650 -203616.5849 2753.6152 0.0000 0.0000 52438.2560 -109275.0588 301.3634 -161713.3148 -108917.7662 299.0336 128.3540 156.7871 762272.7429 0.3070 0.4368 PRESSURE: 1623200 347.526 -12.719 -192.122 -12.7186 -402.703 97.3864 -192.122 97.3874 461.297 GPRESSURE: 1623200 319.852 5.88508 -145.151 6.44796 -301.662 56.1816 -287.933 121.817 483.351 PRESSAVG: 1623200 -8.36566 -26.6905 3.02679 -26.6904 15.3929 -43.0859 3.02677 -43.0859 23.703 GPRESSAVG: 1623200 -9.73164 -25.8241 2.0454 -25.5287 16.8637 -44.7835 3.57972 -42.2563 23.3413 TIMING: 1623200 CPU: 5070.28, 0.00311806/step Wall: 5070.28, 0.00311806/step, 2.92474 hours remaining, 233.539062 MB of memory in use. ENERGY: 1623200 4003.5057 20589.5580 14410.6206 256.1497 -203486.2990 2952.7668 0.0000 0.0000 52081.9912 -109191.7069 299.3159 -161273.6981 -108832.8447 299.7885 135.3731 167.1804 761763.5130 10.2434 10.1578 PRESSURE: 1623400 109.758 111.846 -200.712 111.846 110.797 200.185 -200.713 200.186 212.623 GPRESSURE: 1623400 110.597 103.941 -175.777 67.1111 135.794 233.447 -207.38 47.4532 277.016 PRESSAVG: 1623400 9.43483 15.3498 -54.7739 15.3498 -5.60503 3.37057 -54.7739 3.37067 14.7305 GPRESSAVG: 1623400 9.63452 15.9417 -54.9391 15.2595 -5.23636 4.17452 -54.4053 2.40544 14.3592 TIMING: 1623400 CPU: 5070.91, 0.00311663/step Wall: 5070.91, 0.00311663/step, 2.92322 hours remaining, 233.539062 MB of memory in use. ENERGY: 1623400 3938.5407 20447.3721 14486.6969 226.2147 -203105.0116 2745.9981 0.0000 0.0000 52059.1555 -109201.0336 299.1847 -161260.1891 -108830.4092 299.6993 144.3926 174.4688 761552.5466 6.1868 6.2525 PRESSURE: 1623600 5.53332 -165.638 249.591 -165.637 154.172 -59.41 249.591 -59.4102 205.04 GPRESSURE: 1623600 102.026 -134.476 92.8105 -114.572 172.133 -87.264 265.28 2.01846 187.292 PRESSAVG: 1623600 11.4941 7.77286 15.2463 7.77285 -8.55256 13.2755 15.2463 13.2755 18.1478 GPRESSAVG: 1623600 12.772 6.67618 14.7566 6.38007 -9.77608 11.6786 16.867 12.3603 17.8519 TIMING: 1623600 CPU: 5071.53, 0.00309874/step Wall: 5071.53, 0.00309874/step, 2.90627 hours remaining, 233.539062 MB of memory in use. ENERGY: 1623600 4021.0497 20572.8251 14448.3310 263.3865 -203346.3231 2773.3453 0.0000 0.0000 52191.7388 -109075.6467 299.9466 -161267.3855 -108711.8172 299.6786 121.5816 153.8170 761499.2669 7.0298 6.9493 PRESSURE: 1623800 -477.864 -42.9341 34.8736 -42.9334 -75.3676 -161.633 34.8735 -161.632 -353.792 GPRESSURE: 1623800 -406.695 -80.2202 -8.1728 35.559 -106.551 -70.0555 -137.512 -87.7984 -303.4 PRESSAVG: 1623800 15.3867 -11.3016 0.809684 -11.3016 -1.3508 -23.4025 0.8097 -23.4024 -9.72436 GPRESSAVG: 1623800 15.4843 -10.1337 0.210121 -10.7608 -1.09616 -23.0166 -0.311471 -21.5687 -9.87993 TIMING: 1623800 CPU: 5072.15, 0.00312034/step Wall: 5072.15, 0.00312034/step, 2.92636 hours remaining, 233.539062 MB of memory in use. ENERGY: 1623800 3997.9018 20524.3275 14359.3534 254.0361 -203152.8371 2575.8700 0.0000 0.0000 52267.6058 -109173.7424 300.3826 -161441.3482 -108815.5118 299.5817 -302.3413 -272.2152 763612.7648 1.4372 1.5027 PRESSURE: 1624000 2.58328 -66.0863 19.618 -66.085 -17.7881 51.9323 19.6176 51.9328 -79.6345 GPRESSURE: 1624000 133.936 -28.133 78.8731 -25.2303 -24.1995 -35.1001 -13.6522 -93.8191 -102.153 PRESSAVG: 1624000 -17.2928 -5.82258 15.0627 -5.82257 5.11512 72.209 15.0627 72.209 -0.612918 GPRESSAVG: 1624000 -16.5364 -5.56082 16.1884 -4.83907 5.16614 74.1415 14.0617 70.3508 -0.947886 TIMING: 1624000 CPU: 5072.78, 0.00313024/step Wall: 5072.78, 0.00313024/step, 2.93547 hours remaining, 233.539062 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: 1624000 4061.4695 20434.5390 14331.7169 245.5049 -202988.1316 2735.3608 0.0000 0.0000 52059.4695 -109120.0710 299.1865 -161179.5405 -108757.1283 299.2105 -31.6131 2.5279 762742.4904 -4.2635 -4.1061 PRESSURE: 1624200 286.883 89.4136 -16.2692 89.4138 -22.5848 192.623 -16.2687 192.624 -84.4641 GPRESSURE: 1624200 233.481 98.2038 -145.419 84.2565 99.1631 207.795 38.6374 279.351 -66.9317 PRESSAVG: 1624200 42.5859 25.8275 16.306 25.8275 3.81689 -15.9117 16.3059 -15.9117 20.2748 GPRESSAVG: 1624200 42.3232 25.7686 14.9322 24.7091 3.36827 -17.3992 17.659 -15.2048 20.687 TIMING: 1624200 CPU: 5073.4, 0.00313296/step Wall: 5073.4, 0.00313296/step, 2.93785 hours remaining, 233.539062 MB of memory in use. ENERGY: 1624200 4017.7630 20333.6645 14384.8468 249.0063 -203204.9160 2737.4663 0.0000 0.0000 52284.9208 -109197.2482 300.4822 -161482.1690 -108831.1261 299.7592 59.9448 88.5709 760829.2372 22.2259 22.1262 LDB: ============= START OF LOAD BALANCING ============== 5085.88 LDB: ============== END OF LOAD BALANCING =============== 5085.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5085.88 LDB: ============= START OF LOAD BALANCING ============== 5086.2 LDB: Largest compute 6971 load 0.029984 is 15.4% of average load 0.195121 LDB: Average compute 0.004403 is 2.3% of average load 0.195121 LDB: TIME 5086.2 LOAD: AVG 0.195121 MAX 0.213792 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.562 MB LDB: TIME 5086.2 LOAD: AVG 0.195121 MAX 0.213792 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.656 MB LDB: TIME 5086.2 LOAD: AVG 0.195121 MAX 0.213792 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.656 MB LDB: ============== END OF LOAD BALANCING =============== 5086.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5086.21 PRESSURE: 1624400 439.975 281.381 146.148 281.381 318.101 64.048 146.148 64.0477 -19.155 GPRESSURE: 1624400 465.353 264.309 118.959 183.128 331.236 72.2028 149.854 -14.13 24.259 PRESSAVG: 1624400 9.41911 17.8319 43.8363 17.8319 47.4914 -5.09063 43.8364 -5.0906 -5.66494 GPRESSAVG: 1624400 8.47898 17.1329 42.4084 18.6902 47.8833 -6.37759 45.4045 -5.47784 -5.65627 TIMING: 1624400 CPU: 5074.04, 0.00319284/step Wall: 5074.04, 0.00319284/step, 2.99382 hours remaining, 233.539062 MB of memory in use. ENERGY: 1624400 3965.3657 20563.9424 14441.1636 251.0216 -203288.8642 2948.0234 0.0000 0.0000 52080.9699 -109038.3777 299.3100 -161119.3476 -108678.1161 299.2258 246.3068 273.6160 760836.2944 17.0819 16.9020 PRESSURE: 1624600 -38.911 -63.0051 48.0653 -63.0049 266.15 -93.8106 48.0654 -93.8106 -331.361 GPRESSURE: 1624600 -28.1165 -36.256 100.219 15.8665 264.543 -20.4102 22.2953 -126.999 -248.551 PRESSAVG: 1624600 -35.5595 25.8904 -27.8597 25.8904 22.479 -18.469 -27.8597 -18.469 1.22305 GPRESSAVG: 1624600 -36.6858 25.5873 -26.4001 24.1336 22.5113 -15.9534 -30.0367 -19.1344 2.04313 TIMING: 1624600 CPU: 5074.67, 0.00312475/step Wall: 5074.67, 0.00312475/step, 2.9298 hours remaining, 233.539062 MB of memory in use. ENERGY: 1624600 4000.9442 20500.4568 14468.6614 226.3299 -202608.3496 2363.2806 0.0000 0.0000 52018.6524 -109030.0244 298.9519 -161048.6768 -108664.1180 299.3224 -34.7073 -4.0416 762109.5195 -3.9525 -4.0438 PRESSURE: 1624800 -12.1657 -162.184 20.9163 -162.184 -288.839 -53.9957 20.9159 -53.9968 230.115 GPRESSURE: 1624800 13.7591 -220.832 -0.122037 -222.77 -195.674 -114.923 179.771 44.953 214.181 PRESSAVG: 1624800 33.6117 12.4156 2.50882 12.4156 -56.0448 -21.329 2.50884 -21.329 -9.69896 GPRESSAVG: 1624800 33.9294 14.9903 1.59139 12.3209 -56.579 -23.499 3.74083 -21.5998 -10.1469 TIMING: 1624800 CPU: 5075.29, 0.00312288/step Wall: 5075.29, 0.00312288/step, 2.92787 hours remaining, 233.539062 MB of memory in use. ENERGY: 1624800 3861.6263 20594.7546 14476.1759 230.0785 -202559.6204 2345.1528 0.0000 0.0000 51960.2985 -109091.5336 298.6165 -161051.8321 -108722.1415 298.8661 -23.6299 10.7554 763574.0676 -10.7107 -10.9322 PRESSURE: 1625000 63.1492 160.588 127.321 160.589 -54.0333 -61.6709 127.321 -61.6725 281.007 GPRESSURE: 1625000 39.3458 97.6021 156.457 108.156 5.22201 -1.68006 25.6223 -120.454 315.648 PRESSAVG: 1625000 -0.445522 -38.6826 8.02706 -38.6826 10.2496 17.0378 8.02709 17.0377 -7.43571 GPRESSAVG: 1625000 -0.778701 -41.5895 9.28214 -37.9409 9.76168 18.1643 6.8661 17.744 -6.72773 TIMING: 1625000 CPU: 5075.92, 0.00312715/step Wall: 5075.92, 0.00312715/step, 2.93171 hours remaining, 233.539062 MB of memory in use. ENERGY: 1625000 3960.3440 20493.8897 14396.5332 252.9655 -202959.7614 2847.0900 0.0000 0.0000 51960.5404 -109048.3986 298.6179 -161008.9390 -108687.8594 298.9644 96.7077 120.0721 764752.7536 0.7895 0.7517 PRESSURE: 1625200 112.451 106.108 -30.3312 106.108 -17.6534 39.7108 -30.3319 39.7103 64.8157 GPRESSURE: 1625200 136.378 89.7491 -18.0666 247.638 99.083 -52.1589 -106.843 -23.0085 15.0809 PRESSAVG: 1625200 -40.2227 -7.04495 -5.55611 -7.04496 38.5588 -11.2124 -5.55609 -11.2124 4.86731 GPRESSAVG: 1625200 -39.8283 -6.09149 -5.42846 -5.70749 39.1006 -12.9348 -3.52837 -13.5806 3.58325 TIMING: 1625200 CPU: 5076.54, 0.00312248/step Wall: 5076.54, 0.00312248/step, 2.92715 hours remaining, 233.539062 MB of memory in use. ENERGY: 1625200 4016.2181 20564.3385 14418.9640 261.5225 -203233.1805 3058.6956 0.0000 0.0000 51965.7766 -108947.6651 298.6480 -160913.4417 -108596.4518 298.6626 53.2044 83.5141 763811.5540 1.0678 0.9518 PRESSURE: 1625400 214.814 208.838 5.51451 208.838 94.2094 266.735 5.51447 266.736 -78.6692 GPRESSURE: 1625400 316.541 98.2331 -39.2172 171.29 2.83718 267.568 11.8292 237.609 -5.37511 PRESSAVG: 1625400 35.7306 29.9492 -18.8169 29.9493 -27.6592 -4.19906 -18.8169 -4.1991 26.3504 GPRESSAVG: 1625400 37.4307 28.5809 -19.7289 28.5265 -27.2912 -1.90502 -20.6975 -2.80822 25.0748 TIMING: 1625400 CPU: 5077.16, 0.00311121/step Wall: 5077.16, 0.00311121/step, 2.91641 hours remaining, 233.539062 MB of memory in use. ENERGY: 1625400 3956.0613 20470.0355 14455.3381 258.6470 -203056.4568 2535.8765 0.0000 0.0000 52389.4690 -108991.0294 301.0830 -161380.4984 -108632.2791 299.7141 76.7849 104.6676 762770.5567 11.4739 11.7381 PRESSURE: 1625600 -62.1049 -147.491 -101.599 -147.492 -55.631 -22.9156 -101.599 -22.9153 390.462 GPRESSURE: 1625600 -74.692 -196.494 -120.38 -117.346 -28.277 23.7803 -173.286 -3.34408 461.408 PRESSAVG: 1625600 49.4081 11.4652 24.4498 11.4653 24.6161 -12.5448 24.4498 -12.5449 -4.59577 GPRESSAVG: 1625600 48.7866 12.4635 24.2065 9.43397 22.685 -13.8149 24.1364 -11.6693 -1.35876 TIMING: 1625600 CPU: 5077.79, 0.00312405/step Wall: 5077.79, 0.00312405/step, 2.92827 hours remaining, 233.539062 MB of memory in use. ENERGY: 1625600 3952.9983 20541.0650 14467.0983 230.1449 -202906.3464 2598.8003 0.0000 0.0000 52221.3620 -108894.8777 300.1169 -161116.2397 -108526.3844 299.3979 90.9086 119.4797 762309.9742 23.1428 23.3709 PRESSURE: 1625800 29.7524 -85.2353 47.9986 -85.2354 -83.5323 -1.04904 47.9975 -1.04823 -209.123 GPRESSURE: 1625800 -37.5752 -161.22 166.54 -81.6084 42.4424 1.66903 29.7776 -1.02276 -169.934 PRESSAVG: 1625800 -27.618 9.9436 -9.04356 9.94361 28.2573 3.47122 -9.04354 3.47117 12.2938 GPRESSAVG: 1625800 -28.0985 9.64715 -7.66922 10.6143 29.4906 2.92131 -8.41275 3.89236 11.4822 TIMING: 1625800 CPU: 5078.41, 0.00311922/step Wall: 5078.41, 0.00311922/step, 2.92358 hours remaining, 233.539062 MB of memory in use. ENERGY: 1625800 3928.7434 20546.8865 14388.7535 242.2441 -202942.8095 2612.3086 0.0000 0.0000 52268.7676 -108955.1058 300.3893 -161223.8734 -108598.7406 299.1508 -87.6343 -55.0223 761836.7244 4.3110 4.2915 PRESSURE: 1626000 213.558 -47.2671 30.3703 -47.2671 196.843 -255.795 30.3717 -255.796 120.27 GPRESSURE: 1626000 251.853 -72.4175 -1.10427 -25.1167 185.313 -193.108 26.18 -330.226 184.678 PRESSAVG: 1626000 41.627 26.1125 33.3534 26.1125 -21.2192 -47.4251 33.3535 -47.4251 5.61141 GPRESSAVG: 1626000 42.0414 26.8896 33.3919 24.9443 -21.3507 -46.9127 33.3032 -49.147 5.86583 TIMING: 1626000 CPU: 5079.04, 0.00311725/step Wall: 5079.04, 0.00311725/step, 2.92156 hours remaining, 233.539062 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: 1626000 3948.5403 20670.8106 14451.4320 256.7966 -202863.9887 2646.2184 0.0000 0.0000 51940.4684 -108949.7224 298.5026 -160890.1908 -108594.4028 299.2108 176.8904 207.2814 761670.7208 8.6731 8.8522 PRESSURE: 1626200 -113.303 145.779 14.8848 145.778 -174.85 146.103 14.8847 146.103 12.0401 GPRESSURE: 1626200 -60.5877 55.701 93.9195 52.7103 -151.637 153.026 -2.00023 180.505 22.3744 PRESSAVG: 1626200 74.46 11.3792 -14.525 11.3791 -38.4828 -29.2126 -14.525 -29.2126 5.96346 GPRESSAVG: 1626200 74.4992 10.6337 -14.1039 14.1242 -39.073 -29.1306 -16.1711 -28.6053 6.33326 TIMING: 1626200 CPU: 5079.66, 0.00312825/step Wall: 5079.66, 0.00312825/step, 2.93169 hours remaining, 233.539062 MB of memory in use. ENERGY: 1626200 4019.2566 20340.6530 14428.8864 266.9861 -202967.8318 2536.2463 0.0000 0.0000 52094.3089 -109281.4946 299.3867 -161375.8035 -108913.9508 298.6733 -92.0375 -63.2835 762350.1178 13.9802 13.9198 PRESSURE: 1626400 58.5664 146.989 -38.4566 146.991 -232.983 -135.131 -38.4567 -135.131 81.7724 GPRESSURE: 1626400 95.2686 83.24 -54.7117 252.114 -103.529 -115.984 -115.007 -176.731 1.39072 PRESSAVG: 1626400 22.8368 27.2472 33.2327 27.2473 16.7356 -8.63384 33.2326 -8.63382 2.46011 GPRESSAVG: 1626400 23.6604 27.595 31.886 26.7521 17.1612 -8.32147 32.7666 -9.04307 1.06098 TIMING: 1626400 CPU: 5080.29, 0.00313847/step Wall: 5080.29, 0.00313847/step, 2.9411 hours remaining, 233.539062 MB of memory in use. ENERGY: 1626400 3982.4365 20491.9064 14459.1805 227.6436 -203042.2071 2644.9612 0.0000 0.0000 51944.9978 -109291.0811 298.5286 -161236.0789 -108919.1049 298.8750 -30.8815 -2.2899 761753.5158 14.0109 13.9609 PRESSURE: 1626600 247.697 53.7711 162.508 53.7711 70.7526 -49.599 162.508 -49.5998 -85.5594 GPRESSURE: 1626600 282.005 32.6366 174.525 65.5818 113.645 -139.836 203.73 -104.664 -75.9235 PRESSAVG: 1626600 -6.78761 5.75604 12.755 5.7561 -16.5407 -11.806 12.7551 -11.806 -15.0975 GPRESSAVG: 1626600 -9.09513 3.75557 12.9538 5.64342 -16.646 -12.8944 15.2228 -12.7633 -12.8294 TIMING: 1626600 CPU: 5080.92, 0.00313809/step Wall: 5080.92, 0.00313809/step, 2.94057 hours remaining, 233.539062 MB of memory in use. ENERGY: 1626600 3900.8682 20531.4717 14444.0065 247.9484 -203376.1921 2835.8485 0.0000 0.0000 52338.7026 -109077.3463 300.7912 -161416.0489 -108715.4934 298.9102 77.6301 106.5758 760202.0293 -12.8086 -12.8568 PRESSURE: 1626800 -35.9921 41.1648 45.6431 41.1649 -131.07 -52.3105 45.6438 -52.3112 469.664 GPRESSURE: 1626800 -58.5699 129.907 24.6662 -43.2252 -4.00498 11.6462 -64.5636 -160.477 461.844 PRESSAVG: 1626800 26.6324 35.6646 -9.57187 35.6646 -38.1659 -11.5165 -9.57184 -11.5164 4.65397 GPRESSAVG: 1626800 27.9516 36.1506 -9.86636 33.652 -37.2107 -11.3952 -9.45173 -10.437 2.37304 TIMING: 1626800 CPU: 5081.54, 0.00313271/step Wall: 5081.54, 0.00313271/step, 2.93535 hours remaining, 233.539062 MB of memory in use. ENERGY: 1626800 3950.5329 20433.5293 14493.5826 258.5026 -202961.9320 2516.0422 0.0000 0.0000 51998.3429 -109311.3995 298.8352 -161309.7424 -108942.5050 298.6635 100.8673 133.0898 762154.7020 -2.2932 -2.2954 PRESSURE: 1627000 -155.579 -71.5754 -216.633 -71.5749 -26.7711 19.2906 -216.633 19.2906 375.588 GPRESSURE: 1627000 -63.9706 -7.5071 -212.682 -212.358 55.7709 -29.6343 -314.33 12.8857 290.057 PRESSAVG: 1627000 -23.6021 -20.7696 -3.05642 -20.7696 -5.72534 15.3869 -3.05647 15.387 -8.27388 GPRESSAVG: 1627000 -23.2593 -19.299 -4.32974 -18.9553 -6.38472 14.529 -1.89791 15.8183 -7.65628 TIMING: 1627000 CPU: 5082.17, 0.00311814/step Wall: 5082.17, 0.00311814/step, 2.92152 hours remaining, 233.539062 MB of memory in use. ENERGY: 1627000 3983.5582 20549.9945 14410.8411 249.3265 -203287.9859 2728.0371 0.0000 0.0000 51800.4793 -109565.7492 297.6981 -161366.2285 -109219.4331 298.0260 64.4126 93.9526 761902.5761 -12.5338 -12.4334 PRESSURE: 1627200 -287.545 67.7493 -53.3144 67.7495 -190.512 64.0251 -53.3145 64.0272 53.7907 GPRESSURE: 1627200 -321.776 -54.2403 -14.0978 115.813 -134.7 7.44192 -92.834 -19.0536 113.979 PRESSAVG: 1627200 35.1488 -2.07078 -44.8134 -2.07077 -42.065 14.9594 -44.8135 14.9595 0.869065 GPRESSAVG: 1627200 35.8326 -4.35946 -42.7261 -1.39894 -42.2795 16.4828 -46.4039 13.4561 0.670775 TIMING: 1627200 CPU: 5082.79, 0.00311036/step Wall: 5082.79, 0.00311036/step, 2.91406 hours remaining, 233.539062 MB of memory in use. ENERGY: 1627200 3988.7696 20566.4136 14458.2275 264.4699 -203943.8553 2924.5732 0.0000 0.0000 52170.4790 -109570.9224 299.8245 -161741.4014 -109207.6596 298.2543 -141.4222 -114.1656 761059.9096 -2.0157 -1.9254 PRESSURE: 1627400 -393.883 -31.0562 318.094 -31.0563 -390.308 -152.196 318.094 -152.196 65.046 GPRESSURE: 1627400 -226.56 165.517 302.715 -45.6088 -403.096 -104.47 333.316 -37.3117 16.429 PRESSAVG: 1627400 12.0338 -48.1663 -25.999 -48.1664 9.95495 -20.9611 -25.9989 -20.9611 -7.6132 GPRESSAVG: 1627400 11.8434 -47.3627 -27.5791 -47.3467 9.62034 -23.3836 -25.2349 -18.7268 -6.38216 TIMING: 1627400 CPU: 5083.41, 0.00312049/step Wall: 5083.41, 0.00312049/step, 2.92338 hours remaining, 233.539062 MB of memory in use. ENERGY: 1627400 3965.0694 20587.6418 14542.3669 243.6281 -203098.1876 2251.4209 0.0000 0.0000 51949.5106 -109558.5498 298.5546 -161508.0604 -109191.9718 298.5172 -239.7149 -204.4090 762068.0570 4.7918 5.0272 PRESSURE: 1627600 217.543 -117.004 232.65 -117.004 -321.995 -269.462 232.651 -269.463 -24.7052 GPRESSURE: 1627600 110.459 -163.986 155.548 24.5488 -171.641 -220.245 208.398 -94.2724 15.4868 PRESSAVG: 1627600 78.7398 -34.5246 82.5257 -34.5246 -30.1194 -50.4036 82.5257 -50.4037 -17.0032 GPRESSAVG: 1627600 77.8634 -34.9971 83.6139 -33.5708 -29.5318 -49.0364 82.2076 -52.1619 -16.5415 TIMING: 1627600 CPU: 5084.04, 0.00311967/step Wall: 5084.04, 0.00311967/step, 2.92244 hours remaining, 233.539062 MB of memory in use. ENERGY: 1627600 3954.3311 20547.2274 14436.5809 239.4114 -203514.6983 2880.1019 0.0000 0.0000 52055.9118 -109401.1337 299.1660 -161457.0456 -109031.9435 299.2132 -43.0524 -15.2319 761819.6544 10.5391 10.5967 PRESSURE: 1627800 -9.42323 120.468 19.6601 120.467 -335.608 56.836 19.6604 56.8365 -338.795 GPRESSURE: 1627800 53.388 28.7168 -2.63637 35.2724 -292.876 -37.3294 37.8205 52.1493 -358.833 PRESSAVG: 1627800 12.3968 -57.2843 11.1449 -57.2843 -47.9137 21.7849 11.1449 21.7849 -1.59517 GPRESSAVG: 1627800 13.4476 -57.072 9.31605 -59.0495 -47.6727 21.1999 10.5395 22.9397 -3.11158 TIMING: 1627800 CPU: 5084.66, 0.00312776/step Wall: 5084.66, 0.00312775/step, 2.92984 hours remaining, 233.539062 MB of memory in use. ENERGY: 1627800 3975.2662 20688.1335 14493.9727 241.8158 -203380.8643 2676.8902 0.0000 0.0000 52123.4123 -109181.3735 299.5540 -161304.7859 -108819.2051 298.4378 -227.9421 -199.4404 762355.6584 -12.3707 -12.4456 PRESSURE: 1628000 -184.078 -139.67 8.18827 -139.671 -291.22 -211.498 8.18881 -211.497 -190.231 GPRESSURE: 1628000 -154.88 -69.2259 -35.7323 -106.856 -246.235 -35.8329 -29.6727 -195.718 -190.62 PRESSAVG: 1628000 2.1971 -47.1742 -9.61702 -47.1743 30.207 -3.02053 -9.61714 -3.02057 -6.87916 GPRESSAVG: 1628000 2.03167 -47.1359 -8.75171 -46.6239 29.8568 -4.11648 -8.41626 -1.6206 -6.72792 TIMING: 1628000 CPU: 5085.29, 0.00315084/step Wall: 5085.29, 0.00315084/step, 2.95129 hours remaining, 233.539062 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: 1628000 3964.4652 20632.1338 14433.7437 254.1930 -203505.6818 2826.5495 0.0000 0.0000 52343.2332 -109051.3635 300.8173 -161394.5967 -108687.8873 299.5093 -221.8431 -197.2451 763013.8041 8.5083 8.3869 PRESSURE: 1628200 195.653 -52.2272 277.025 -52.227 240.445 -140.056 277.025 -140.057 292.105 GPRESSURE: 1628200 218.834 46.1564 218.406 12.2518 267.125 -260.388 130.82 -18.3173 359.66 PRESSAVG: 1628200 -22.1751 -83.2385 39.2366 -83.2386 41.9919 -26.2008 39.2365 -26.2009 -9.65293 GPRESSAVG: 1628200 -22.7732 -83.5976 39.6101 -83.5348 42.6137 -24.2673 38.9483 -26.2138 -9.59501 TIMING: 1628200 CPU: 5085.92, 0.00314831/step Wall: 5085.92, 0.00314831/step, 2.94874 hours remaining, 233.539062 MB of memory in use. ENERGY: 1628200 3901.9159 20771.2912 14411.8739 249.9639 -203738.5093 3145.7600 0.0000 0.0000 52159.7205 -109097.9840 299.7626 -161257.7045 -108740.4566 299.7001 242.7341 281.8732 761229.5400 3.3880 3.4152 LDB: ============= START OF LOAD BALANCING ============== 5098.4 LDB: ============== END OF LOAD BALANCING =============== 5098.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5098.4 LDB: ============= START OF LOAD BALANCING ============== 5098.72 LDB: Largest compute 6998 load 0.029906 is 15.3% of average load 0.195038 LDB: Average compute 0.004383 is 2.2% of average load 0.195038 LDB: TIME 5098.72 LOAD: AVG 0.195038 MAX 0.21335 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.539 MB LDB: TIME 5098.72 LOAD: AVG 0.195038 MAX 0.21335 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.543 MB LDB: TIME 5098.72 LOAD: AVG 0.195038 MAX 0.21335 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.543 MB LDB: ============== END OF LOAD BALANCING =============== 5098.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5098.73 PRESSURE: 1628400 -8.54159 32.8547 -0.622364 32.8535 -99.5544 31.3972 -0.622796 31.397 154.18 GPRESSURE: 1628400 55.9769 -46.5437 -60.5433 -19.284 -53.9227 27.8947 -31.2632 128.625 130.806 PRESSAVG: 1628400 -35.6065 -116.623 27.2454 -116.623 21.9075 -22.7266 27.2454 -22.7266 -6.28607 GPRESSAVG: 1628400 -35.1935 -118.44 27.4721 -116.401 20.3648 -23.2114 25.8214 -24.4092 -5.79456 TIMING: 1628400 CPU: 5086.56, 0.00320069/step Wall: 5086.56, 0.00320069/step, 2.99763 hours remaining, 233.867188 MB of memory in use. ENERGY: 1628400 4021.2151 20502.5477 14440.7847 258.2142 -203064.0737 2631.3651 0.0000 0.0000 52034.3829 -109175.5641 299.0423 -161209.9469 -108803.0779 299.4817 15.3612 44.2868 762944.4331 -6.6617 -6.8744 PRESSURE: 1628600 374.892 -51.9342 101.222 -51.934 24.623 68.6485 101.222 68.6476 -117.076 GPRESSURE: 1628600 241.312 -77.8093 157.247 -44.2072 169.804 20.3723 75.118 49.8952 -57.1546 PRESSAVG: 1628600 -0.014833 -37.1969 -5.01443 -37.1969 -21.333 22.1941 -5.01442 22.1941 35.1525 GPRESSAVG: 1628600 0.509022 -35.9088 -5.95615 -37.3642 -20.24 22.7008 -2.83534 20.3892 34.286 TIMING: 1628600 CPU: 5087.19, 0.00312599/step Wall: 5087.19, 0.00312599/step, 2.92749 hours remaining, 234.070312 MB of memory in use. ENERGY: 1628600 4022.0728 20575.0523 14434.3599 249.9499 -203242.3188 2728.8742 0.0000 0.0000 51962.9487 -109269.0609 298.6318 -161232.0096 -108911.9930 299.0299 94.1461 117.9870 761982.4760 4.6016 4.8517 PRESSURE: 1628800 161.92 128.961 43.8703 128.96 44.8368 122.917 43.8706 122.918 216.062 GPRESSURE: 1628800 228.362 101.883 25.1186 189.279 8.24966 87.1975 -82.4798 112.888 278.562 PRESSAVG: 1628800 -25.7221 -47.1647 17.2446 -47.1647 -3.43075 -3.01159 17.2445 -3.01161 5.89269 GPRESSAVG: 1628800 -25.4561 -47.1112 17.5991 -47.8589 -4.82507 -3.41036 15.663 -2.48121 6.83481 TIMING: 1628800 CPU: 5087.81, 0.00312542/step Wall: 5087.81, 0.00312542/step, 2.92678 hours remaining, 234.070312 MB of memory in use. ENERGY: 1628800 4017.5854 20627.3712 14452.9780 268.9594 -203335.6885 2825.1181 0.0000 0.0000 51754.3538 -109389.3226 297.4330 -161143.6764 -109026.9103 298.6520 140.9394 171.7245 760910.2301 -7.7534 -7.8154 PRESSURE: 1629000 -38.4185 72.9287 -236.923 72.9291 189.682 91.9762 -236.924 91.9764 -125.402 GPRESSURE: 1629000 -49.6304 148.539 -194.541 15.3633 226.913 63.4352 -175.108 109.717 -59.7439 PRESSAVG: 1629000 -43.5665 -40.4312 29.9134 -40.4312 73.2288 23.9919 29.9134 23.9918 -8.22344 GPRESSAVG: 1629000 -44.7576 -38.1436 30.3308 -39.7565 74.5289 23.6592 31.0379 26.0166 -8.45406 TIMING: 1629000 CPU: 5088.44, 0.00314587/step Wall: 5088.44, 0.00314587/step, 2.94576 hours remaining, 234.070312 MB of memory in use. ENERGY: 1629000 4083.1058 20580.9630 14478.6318 260.9749 -203824.7479 2962.5343 0.0000 0.0000 52040.1464 -109418.3917 299.0754 -161458.5381 -109062.1134 298.2447 8.6206 39.1796 760341.8313 7.1463 7.1057 PRESSURE: 1629200 -11.9534 162.666 57.9553 162.666 -120.676 -11.3599 57.9556 -11.3594 133.16 GPRESSURE: 1629200 12.4234 155.095 78.256 83.7255 -5.01042 -49.7931 -135.937 -125.374 74.1496 PRESSAVG: 1629200 -24.7131 -12.4154 20.2961 -12.4155 56.5135 18.9338 20.2961 18.9338 -9.57812 GPRESSAVG: 1629200 -24.6573 -13.2881 19.933 -12.5612 56.6737 18.6928 20.8253 19.0592 -10.4051 TIMING: 1629200 CPU: 5089.07, 0.00312341/step Wall: 5089.07, 0.00312341/step, 2.92455 hours remaining, 234.070312 MB of memory in use. ENERGY: 1629200 3965.8359 20587.6550 14412.3131 254.5305 -203738.8728 2882.8085 0.0000 0.0000 51913.7164 -109722.0134 298.3488 -161635.7298 -109356.3935 298.4346 0.1768 27.1875 762206.2584 7.4074 7.2038 PRESSURE: 1629400 -375.171 -131.852 191.875 -131.852 207.232 -242.151 191.874 -242.151 96.3198 GPRESSURE: 1629400 -197.223 -66.2766 169.058 -135.429 90.835 -128.229 91.3483 -241.942 115.595 PRESSAVG: 1629400 -83.8939 -8.81588 -5.34245 -8.81582 25.4347 -42.4872 -5.34246 -42.4873 7.32011 GPRESSAVG: 1629400 -83.282 -10.5414 -6.93857 -10.5096 24.236 -41.115 -6.9437 -42.7393 7.76613 TIMING: 1629400 CPU: 5089.7, 0.00314192/step Wall: 5089.7, 0.00314192/step, 2.94171 hours remaining, 234.070312 MB of memory in use. ENERGY: 1629400 4092.8144 20561.2518 14438.0405 266.8766 -203450.3826 2747.9074 0.0000 0.0000 51733.1369 -109610.3549 297.3110 -161343.4918 -109250.6748 298.4820 -23.8731 3.0690 763632.0197 -17.0464 -17.0933 PRESSURE: 1629600 316.379 109.036 28.7862 109.036 406.767 -22.2841 28.7867 -22.2841 243.649 GPRESSURE: 1629600 306.954 64.153 55.2599 36.7974 421.236 -43.9993 137.599 26.7776 338.159 PRESSAVG: 1629600 -4.20804 14.9231 4.88802 14.9231 29.9309 37.0723 4.88801 37.0723 -22.2056 GPRESSAVG: 1629600 -4.66851 16.8541 6.5501 12.915 30.1521 35.3216 4.07639 38.0073 -21.7528 TIMING: 1629600 CPU: 5090.32, 0.0031276/step Wall: 5090.32, 0.0031276/step, 2.92813 hours remaining, 234.070312 MB of memory in use. ENERGY: 1629600 3958.9453 20551.8353 14458.9498 258.9921 -203754.1211 2760.6569 0.0000 0.0000 52172.5356 -109592.2061 299.8363 -161764.7417 -109228.4827 298.4441 322.2647 355.4496 760219.7190 1.1724 1.2436 PRESSURE: 1629800 -502.043 -149.177 46.0951 -149.177 -246.517 -30.2799 46.095 -30.2787 -247.194 GPRESSURE: 1629800 -396.561 -129.958 43.2152 -188.916 -320.371 8.03591 93.2402 -141.221 -179.382 PRESSAVG: 1629800 0.997577 -15.1029 14.7759 -15.1029 64.0691 -18.7805 14.7759 -18.7805 18.7243 GPRESSAVG: 1629800 -0.33689 -17.0541 15.1294 -13.6769 65.3486 -17.4507 15.6557 -20.1248 19.1577 TIMING: 1629800 CPU: 5090.95, 0.00314478/step Wall: 5090.95, 0.00314478/step, 2.94404 hours remaining, 234.070312 MB of memory in use. ENERGY: 1629800 4018.6301 20529.3418 14461.6928 255.6044 -202963.1690 2384.4412 0.0000 0.0000 51923.5932 -109389.8656 298.4056 -161313.4588 -109021.5156 299.3035 -331.9182 -298.7715 762820.5466 27.9304 28.0565 PRESSURE: 1630000 -10.5257 -28.2284 65.2894 -28.2293 156.091 10.3558 65.2897 10.3566 -427.878 GPRESSURE: 1630000 66.0689 -11.3744 73.1611 -42.1262 76.4376 72.6682 -1.74324 0.352223 -328.375 PRESSAVG: 1630000 -22.1642 -28.9114 67.3156 -28.9114 31.8667 -14.619 67.3156 -14.619 5.88626 GPRESSAVG: 1630000 -19.1983 -28.2567 67.9164 -28.0817 29.6177 -14.4737 66.8607 -14.2852 5.19868 TIMING: 1630000 CPU: 5091.57, 0.00311587/step Wall: 5091.57, 0.00311587/step, 2.9168 hours remaining, 234.070312 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: 1630000 4111.4331 20507.4170 14507.5730 248.9363 -203599.1969 3113.2775 0.0000 0.0000 51846.4961 -109264.0639 297.9625 -161110.5600 -108911.7674 298.6526 -94.1040 -61.9562 763090.0149 5.1963 5.2060 PRESSURE: 1630200 -187.754 -47.5268 -22.8426 -47.5267 71.6928 -230.629 -22.8429 -230.629 -65.5511 GPRESSURE: 1630200 -87.3135 27.0458 56.775 21.6202 40.6541 -210.073 7.58967 -226.705 -49.863 PRESSAVG: 1630200 7.52457 54.0818 43.5811 54.0818 19.4893 43.4001 43.5811 43.4001 -26.6079 GPRESSAVG: 1630200 4.73851 54.0831 43.2415 53.3236 20.7376 42.8607 44.0817 44.5344 -24.8165 TIMING: 1630200 CPU: 5092.2, 0.00313808/step Wall: 5092.2, 0.00313808/step, 2.93742 hours remaining, 234.070312 MB of memory in use. ENERGY: 1630200 4044.3012 20435.6997 14549.5817 255.4847 -203447.6118 2923.7026 0.0000 0.0000 51968.2938 -109270.5480 298.6625 -161238.8418 -108906.8402 298.7059 -60.5376 -32.1741 763894.0959 0.1353 0.2199 PRESSURE: 1630400 185.487 234.7 -63.0463 234.7 -161.481 -6.47159 -63.046 -6.47224 114.841 GPRESSURE: 1630400 259.77 109.67 7.89778 139.56 -159.094 14.4916 -184.66 -136.796 118.184 PRESSAVG: 1630400 -28.7692 -29.7691 7.80946 -29.769 16.3716 35.114 7.80944 35.114 32.9604 GPRESSAVG: 1630400 -27.1135 -31.0154 7.42649 -28.778 16.4274 36.0604 9.26209 34.7595 31.454 TIMING: 1630400 CPU: 5092.83, 0.00313279/step Wall: 5092.83, 0.00313279/step, 2.93229 hours remaining, 234.070312 MB of memory in use. ENERGY: 1630400 4044.7164 20569.2326 14519.7484 250.1524 -203861.8851 3188.9952 0.0000 0.0000 52129.2925 -109159.7476 299.5878 -161289.0400 -108798.8867 299.1629 46.2823 72.9533 762706.7323 6.8542 6.9226 PRESSURE: 1630600 263.747 -27.9518 -165.511 -27.9514 -37.1186 165.434 -165.512 165.433 148.329 GPRESSURE: 1630600 349.826 16.2251 -136.45 -15.0811 -47.3973 170.359 -93.0769 130.449 153.565 PRESSAVG: 1630600 -46.7962 -11.5656 9.58132 -11.5656 29.6308 -15.7365 9.58132 -15.7365 12.3008 GPRESSAVG: 1630600 -47.1141 -10.9628 9.39685 -10.7651 29.5868 -16.1825 8.1423 -16.0936 13.0257 TIMING: 1630600 CPU: 5093.45, 0.00312464/step Wall: 5093.45, 0.00312464/step, 2.92449 hours remaining, 234.070312 MB of memory in use. ENERGY: 1630600 3978.3260 20547.6992 14505.0630 259.5864 -203411.4486 2871.2254 0.0000 0.0000 51788.1151 -109461.4336 297.6270 -161249.5487 -109104.3180 299.0688 124.9858 151.9980 763404.6848 -1.6215 -1.5005 PRESSURE: 1630800 49.1667 8.14984 -5.74062 8.14956 -418.713 6.56147 -5.74051 6.56108 -156.656 GPRESSURE: 1630800 -23.7683 -51.5734 33.3145 9.12455 -313.978 20.795 -24.1177 19.899 -98.3488 PRESSAVG: 1630800 19.3699 -0.637086 25.4483 -0.637071 -20.1514 -9.15461 25.4482 -9.15458 7.96068 GPRESSAVG: 1630800 18.687 0.146534 24.9482 -1.16582 -20.059 -9.65589 23.477 -7.19822 8.61244 TIMING: 1630800 CPU: 5094.08, 0.00313585/step Wall: 5094.08, 0.00313585/step, 2.9348 hours remaining, 234.070312 MB of memory in use. ENERGY: 1630800 4002.2958 20654.6327 14518.2791 240.3679 -203701.5150 2705.7641 0.0000 0.0000 52109.0088 -109471.1666 299.4712 -161580.1754 -109097.1346 298.8097 -175.4010 -145.3651 761950.4571 2.3931 2.4135 PRESSURE: 1631000 -155.117 84.5714 196.749 84.5718 -211.058 -57.9557 196.75 -57.9564 -184.935 GPRESSURE: 1631000 -158.235 152.597 285.294 124.883 -111.896 -161.041 205.115 -104.72 -198.657 PRESSAVG: 1631000 3.31839 14.9857 -23.3886 14.9858 33.5046 -23.7882 -23.3886 -23.7882 3.60049 GPRESSAVG: 1631000 4.28104 12.6679 -22.5307 15.7032 34.442 -22.2385 -22.2279 -27.7645 1.87042 TIMING: 1631000 CPU: 5094.71, 0.0031312/step Wall: 5094.71, 0.0031312/step, 2.93028 hours remaining, 234.070312 MB of memory in use. ENERGY: 1631000 4063.2297 20658.6113 14450.9814 238.1240 -203342.0987 2546.9545 0.0000 0.0000 52003.2481 -109380.9496 298.8634 -161384.1978 -109023.4210 299.4587 -183.7034 -156.2627 763038.5436 13.4745 13.5312 PRESSURE: 1631200 99.5438 -86.1516 102.965 -86.1511 151.683 75.7614 102.965 75.7619 455 GPRESSURE: 1631200 130.21 -212.821 188.814 -79.3285 139.064 9.17791 -50.0586 125.915 510.619 PRESSAVG: 1631200 -19.5033 38.6963 -8.20879 38.6964 14.3044 28.3286 -8.2088 28.3286 -3.15787 GPRESSAVG: 1631200 -19.281 40.4332 -7.53556 40.437 12.9964 27.6639 -6.98648 27.4761 -2.47351 TIMING: 1631200 CPU: 5095.33, 0.00312202/step Wall: 5095.33, 0.00312202/step, 2.92152 hours remaining, 234.070312 MB of memory in use. ENERGY: 1631200 4069.5031 20632.4943 14447.3733 256.9966 -203482.7876 2740.0098 0.0000 0.0000 51936.6728 -109399.7378 298.4808 -161336.4106 -109040.3658 299.1025 235.4088 259.9642 763211.0157 -2.7856 -2.9194 PRESSURE: 1631400 279.621 51.6263 98.959 51.6263 -26.8666 -13.4808 98.9589 -13.4797 -78.4791 GPRESSURE: 1631400 197.344 -26.9328 47.7399 17.0809 96.7329 111.601 53.6668 -81.8491 -28.7331 PRESSAVG: 1631400 11.2949 31.9925 -31.6435 31.9925 -30.8782 22.8922 -31.6435 22.8923 1.67459 GPRESSAVG: 1631400 11.0888 30.7309 -32.3933 29.6698 -30.9811 23.5936 -32.7458 24.8023 1.77482 TIMING: 1631400 CPU: 5095.96, 0.00313952/step Wall: 5095.96, 0.00313952/step, 2.93772 hours remaining, 234.070312 MB of memory in use. ENERGY: 1631400 3997.0165 20537.3202 14498.7983 254.4378 -203615.4973 2917.2384 0.0000 0.0000 51864.8727 -109545.8135 298.0681 -161410.6862 -109184.2324 299.0777 58.0917 88.4480 762936.7054 -5.9696 -6.0392 PRESSURE: 1631600 -131.427 33.4717 36.6974 33.4711 -66.4624 162.746 36.6967 162.746 -162.599 GPRESSURE: 1631600 -146.502 -47.3592 55.5228 20.9007 -58.2787 129.642 79.2199 248.293 -73.551 PRESSAVG: 1631600 -40.2477 37.209 -4.80826 37.2091 77.3103 21.5302 -4.80822 21.5302 -28.5394 GPRESSAVG: 1631600 -40.1811 37.2627 -3.00801 38.0463 77.1236 20.5059 -3.2399 20.5452 -28.9958 TIMING: 1631600 CPU: 5096.59, 0.00316507/step Wall: 5096.59, 0.00316507/step, 2.96145 hours remaining, 234.070312 MB of memory in use. ENERGY: 1631600 3932.2937 20765.4523 14503.9264 250.4688 -203363.2910 2428.5962 0.0000 0.0000 51988.1185 -109494.4351 298.7764 -161482.5536 -109129.0930 298.5448 -120.1627 -92.7771 761955.7312 2.8411 2.6489 PRESSURE: 1631800 21.2681 153.774 55.8136 153.773 197.272 -60.8134 55.8133 -60.8132 -91.2685 GPRESSURE: 1631800 -25.5605 339.708 82.8443 112.833 280.578 -49.7047 43.0508 -38.0303 -44.6085 PRESSAVG: 1631800 -26.144 47.7409 48.12 47.741 49.6084 -18.0865 48.12 -18.0865 -3.88259 GPRESSAVG: 1631800 -26.7946 49.2661 46.7541 48.0174 49.3748 -18.1874 45.6868 -16.3656 -3.34755 TIMING: 1631800 CPU: 5097.22, 0.00313418/step Wall: 5097.22, 0.00313418/step, 2.93237 hours remaining, 234.070312 MB of memory in use. ENERGY: 1631800 4043.4509 20510.4155 14468.4686 256.4281 -203739.2509 3007.2929 0.0000 0.0000 52069.4532 -109383.7416 299.2439 -161453.1949 -109015.5233 298.7767 42.4238 70.1362 762782.3656 6.5273 6.4109 PRESSURE: 1632000 -33.9936 -113.984 51.5912 -113.984 511.214 63.4782 51.5914 63.4778 436.973 GPRESSURE: 1632000 32.341 -148.477 33.9581 -115.069 539.526 51.7912 77.9305 128.985 447.913 PRESSAVG: 1632000 -87.1273 -6.05479 -4.74156 -6.0547 67.9758 33.7235 -4.74152 33.7236 14.4109 GPRESSAVG: 1632000 -87.4544 -7.41362 -5.44178 -6.28826 68.5827 35.0097 -1.8781 33.991 14.0283 TIMING: 1632000 CPU: 5097.85, 0.00314062/step Wall: 5097.85, 0.00314062/step, 2.93823 hours remaining, 234.070312 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: 1632000 4027.2656 20605.8039 14511.4889 257.0178 -203557.8022 2854.5099 0.0000 0.0000 52136.5826 -109165.1334 299.6297 -161301.7161 -108807.8780 299.4591 304.7309 339.9266 760900.8930 -1.5802 -1.6145 PRESSURE: 1632200 582.814 -8.32674 107.042 -8.32674 17.4727 2.55443 107.041 2.55548 286.6 GPRESSURE: 1632200 628.065 4.03986 21.3757 -2.69436 55.0136 -139.561 59.5258 21.0181 287.753 PRESSAVG: 1632200 2.79906 -0.340967 77.9875 -0.341009 28.2885 -41.2457 77.9875 -41.2457 12.1245 GPRESSAVG: 1632200 3.79857 -1.46285 78.0014 1.0111 27.9511 -42.0979 76.9426 -41.5603 10.7764 TIMING: 1632200 CPU: 5098.47, 0.00312792/step Wall: 5098.47, 0.00312792/step, 2.92617 hours remaining, 234.070312 MB of memory in use. ENERGY: 1632200 3947.5246 20546.3385 14475.6552 253.2880 -203366.6256 2839.8708 0.0000 0.0000 52145.0697 -109158.8788 299.6784 -161303.9485 -108795.3516 299.6275 295.6290 323.6108 762481.0233 14.4040 14.1754 LDB: ============= START OF LOAD BALANCING ============== 5110.95 LDB: ============== END OF LOAD BALANCING =============== 5110.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5110.95 LDB: ============= START OF LOAD BALANCING ============== 5111.26 LDB: Largest compute 6998 load 0.028913 is 14.8% of average load 0.195133 LDB: Average compute 0.004392 is 2.3% of average load 0.195133 LDB: TIME 5111.27 LOAD: AVG 0.195133 MAX 0.21962 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 5111.27 LOAD: AVG 0.195133 MAX 0.21962 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: TIME 5111.27 LOAD: AVG 0.195133 MAX 0.214071 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: ============== END OF LOAD BALANCING =============== 5111.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5111.27 PRESSURE: 1632400 -194.484 43.7915 -87.8141 43.7908 -3.56343 58.8691 -87.8141 58.869 -301.293 GPRESSURE: 1632400 -48.1906 -31.8769 -84.2954 110.629 -65.1787 -26.2105 -186.817 29.5949 -311.046 PRESSAVG: 1632400 -11.8973 8.99706 36.3192 8.99702 20.3964 -10.6641 36.3191 -10.664 -26.8716 GPRESSAVG: 1632400 -13.458 11.3598 36.9143 8.00628 20.5137 -12.2826 36.6902 -10.7671 -25.0715 TIMING: 1632400 CPU: 5099.11, 0.0031817/step Wall: 5099.11, 0.0031817/step, 2.9763 hours remaining, 234.765625 MB of memory in use. ENERGY: 1632400 3990.0387 20568.9622 14433.3622 252.6979 -203513.4684 2927.3425 0.0000 0.0000 52161.5904 -109179.4746 299.7734 -161341.0650 -108809.3003 299.1376 -166.4467 -141.4717 763351.3045 -6.1242 -6.0053 PRESSURE: 1632600 108.686 211.518 91.9128 211.518 -419.686 -18.0255 91.9121 -18.0256 236.652 GPRESSURE: 1632600 111.25 236.267 69.4104 158.013 -326.904 -32.1018 95.7322 88.4571 213.502 PRESSAVG: 1632600 1.18189 18.1908 -4.02768 18.1907 -11.1233 21.1494 -4.02759 21.1494 -4.85219 GPRESSAVG: 1632600 1.38715 18.5258 -4.80944 16.3447 -10.3606 22.5306 -6.13559 20.242 -5.41715 TIMING: 1632600 CPU: 5099.73, 0.00312589/step Wall: 5099.73, 0.00312589/step, 2.92392 hours remaining, 234.968750 MB of memory in use. ENERGY: 1632600 3985.8454 20696.8501 14445.0410 237.2816 -203324.8894 2871.9712 0.0000 0.0000 52100.4819 -108987.4181 299.4222 -161087.9000 -108624.1118 299.8686 -24.7828 -0.7175 762600.1084 -4.9312 -4.7969 PRESSURE: 1632800 299.7 -38.3232 -114.292 -38.3232 112.202 37.4836 -114.292 37.4841 -151.756 GPRESSURE: 1632800 312.723 -64.3927 12.4968 -76.062 162.583 114.887 -163.452 33.7623 -119.165 PRESSAVG: 1632800 36.6544 57.5869 -24.4437 57.5869 1.58679 11.5648 -24.4436 11.5648 -7.6045 GPRESSAVG: 1632800 34.6587 58.633 -24.4508 58.4955 3.13057 13.7543 -23.1071 11.6548 -7.5018 TIMING: 1632800 CPU: 5100.36, 0.00312943/step Wall: 5100.36, 0.00312943/step, 2.92706 hours remaining, 234.968750 MB of memory in use. ENERGY: 1632800 4005.9443 20635.6091 14401.8510 235.8820 -203404.7729 2766.9865 0.0000 0.0000 52341.5847 -109016.9153 300.8078 -161358.5000 -108651.0896 299.8940 86.7150 118.7136 763221.2265 10.2122 10.0958 PRESSURE: 1633000 -142.818 -5.41408 -64.8404 -5.41349 0.765044 281.604 -64.8407 281.603 251.339 GPRESSURE: 1633000 -208.34 37.2464 -150.962 -58.4134 87.9938 274.707 -80.1064 161.697 308.747 PRESSAVG: 1633000 -24.5175 -28.8116 49.0275 -28.8115 1.60764 22.7205 49.0275 22.7205 -3.01427 GPRESSAVG: 1633000 -22.0905 -29.4187 47.8831 -28.6759 -1.48906 21.89 49.3752 22.0354 -2.02307 TIMING: 1633000 CPU: 5100.98, 0.00311838/step Wall: 5100.98, 0.00311838/step, 2.91655 hours remaining, 234.968750 MB of memory in use. ENERGY: 1633000 4069.6607 20736.8011 14491.1962 227.9874 -203431.5785 2888.8382 0.0000 0.0000 51957.5303 -109059.5646 298.6006 -161017.0949 -108702.0483 299.7304 36.4289 62.8003 764014.5618 -8.6414 -8.5342 PRESSURE: 1633200 -111.489 204.059 43.8013 204.059 135.743 59.5052 43.8023 59.5055 337.8 GPRESSURE: 1633200 -30.0312 160.325 67.7733 208.947 115.945 57.5201 111.424 100.799 353.452 PRESSAVG: 1633200 -32.1977 57.229 23.8676 57.229 28.4371 97.5749 23.8677 97.575 5.3392 GPRESSAVG: 1633200 -32.8206 57.4758 25.0487 57.9667 29.2322 96.8414 22.1846 97.7103 4.24285 TIMING: 1633200 CPU: 5101.61, 0.00313623/step Wall: 5101.61, 0.00313623/step, 2.93307 hours remaining, 234.968750 MB of memory in use. ENERGY: 1633200 3963.8884 20560.8868 14455.9107 224.0946 -202969.7290 2414.1130 0.0000 0.0000 52297.4870 -109053.3485 300.5544 -161350.8355 -108684.5168 299.8198 120.6848 146.4554 762363.0268 0.5262 0.2182 PRESSURE: 1633400 17.734 90.7263 -47.3886 90.7269 10.6787 115.904 -47.3891 115.903 336.028 GPRESSURE: 1633400 32.9764 36.3835 -62.4995 135.956 123.89 131.708 -70.796 23.4671 274.894 PRESSAVG: 1633400 7.27204 12.9066 15.2166 12.9066 -31.4582 16.8881 15.2166 16.8881 -20.7329 GPRESSAVG: 1633400 7.69844 13.1168 14.8048 12.4316 -31.4776 16.9266 15.4677 17.4567 -21.2034 TIMING: 1633400 CPU: 5102.23, 0.00312195/step Wall: 5102.23, 0.00312195/step, 2.91954 hours remaining, 234.968750 MB of memory in use. ENERGY: 1633400 4013.9956 20672.5345 14397.4583 253.0654 -203254.9769 2755.0774 0.0000 0.0000 52215.0009 -108947.8448 300.0803 -161162.8457 -108585.3335 299.6981 121.4801 143.9200 762789.9819 -14.9730 -14.9942 PRESSURE: 1633600 -89.3354 -221.272 -11.7837 -221.272 59.3352 -61.3868 -11.7845 -61.3872 -121.045 GPRESSURE: 1633600 -75.3428 -139.578 -30.4593 -235.668 68.9838 -0.661906 -16.2962 -88.5061 -48.0677 PRESSAVG: 1633600 -2.48694 -38.07 -13.1209 -38.07 7.18842 4.00955 -13.121 4.00961 -25.0018 GPRESSAVG: 1633600 -2.10162 -38.453 -13.053 -39.9404 7.01451 3.15564 -10.9257 4.20493 -24.8991 TIMING: 1633600 CPU: 5102.86, 0.00312125/step Wall: 5102.86, 0.00312125/step, 2.91871 hours remaining, 234.968750 MB of memory in use. ENERGY: 1633600 4069.5619 20430.2104 14512.2166 264.3816 -203284.2892 2853.5370 0.0000 0.0000 52123.2893 -109031.0924 299.5533 -161154.3817 -108670.5483 299.8547 -50.3485 -18.1422 763047.1068 -6.7668 -6.6621 PRESSURE: 1633800 -316.894 -22.2566 209.157 -22.2564 -70.3734 -5.06563 209.158 -5.06582 -332.669 GPRESSURE: 1633800 -264.757 -60.887 151.985 -38.3667 -53.6591 2.44236 242.629 50.3526 -291.096 PRESSAVG: 1633800 -5.88381 62.1035 10.4578 62.1035 34.5896 -44.2383 10.4578 -44.2383 -6.3417 GPRESSAVG: 1633800 -6.09904 60.35 8.4556 65.9508 34.7931 -44.9252 11.8869 -41.7268 -6.21912 TIMING: 1633800 CPU: 5103.48, 0.00312326/step Wall: 5103.48, 0.00312326/step, 2.92042 hours remaining, 234.968750 MB of memory in use. ENERGY: 1633800 3998.5028 20325.4368 14501.0794 240.2825 -203140.6281 2774.4087 0.0000 0.0000 52273.8769 -109027.0409 300.4187 -161300.9179 -108662.4930 299.5630 -239.9789 -203.1707 763964.9405 7.4547 7.4916 PRESSURE: 1634000 94.032 225.662 -51.8271 225.662 14.5527 173.69 -51.8271 173.69 107.743 GPRESSURE: 1634000 -11.8125 141.604 -17.5236 119.822 97.3168 134.481 -129.693 83.7445 214.632 PRESSAVG: 1634000 10.1732 -1.89025 -31.9776 -1.89021 -26.3148 6.61394 -31.9775 6.61405 -11.4584 GPRESSAVG: 1634000 8.93699 -2.96393 -30.9234 -4.62433 -26.5504 8.67111 -35.1361 3.24104 -10.0937 TIMING: 1634000 CPU: 5104.11, 0.00312392/step Wall: 5104.11, 0.00312393/step, 2.92087 hours remaining, 234.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1634000 4014.2431 20607.3006 14509.2447 249.8860 -203345.8512 2900.7668 0.0000 0.0000 52088.8498 -108975.5603 299.3553 -161064.4101 -108620.1097 299.6734 72.1093 100.0454 762814.1098 -9.2000 -9.2357 PRESSURE: 1634200 177.387 -73.3238 192.959 -73.3238 90.8744 -111.444 192.959 -111.444 -156.973 GPRESSURE: 1634200 214.153 -90.7646 160.39 -78.8976 123.86 -128.244 117.369 -55.2081 -152.406 PRESSAVG: 1634200 -11.9749 -5.40029 -38.3207 -5.40031 20.0323 21.9572 -38.3206 21.9572 -10.6018 GPRESSAVG: 1634200 -10.7518 -3.93285 -37.5342 -4.79815 19.5283 20.4789 -37.9666 23.9699 -11.463 TIMING: 1634200 CPU: 5104.73, 0.00311959/step Wall: 5104.73, 0.00311959/step, 2.91665 hours remaining, 234.968750 MB of memory in use. ENERGY: 1634200 3901.4760 20456.1478 14480.5354 231.2483 -203045.2005 2767.7712 0.0000 0.0000 52204.5076 -109003.5143 300.0200 -161208.0219 -108643.1615 299.6920 37.0961 61.8692 763167.0725 -0.8482 -0.8955 PRESSURE: 1634400 -139.244 177.843 -34.1281 177.843 32.0828 -259.404 -34.1272 -259.404 38.179 GPRESSURE: 1634400 -108.554 231.735 -141.977 123.941 108.785 -205.942 20.2642 -197.34 1.64998 PRESSAVG: 1634400 27.0588 11.3183 8.16622 11.3183 -10.3317 -26.4482 8.16624 -26.4482 17.4716 GPRESSAVG: 1634400 26.7042 10.8199 7.72362 11.9969 -9.59787 -25.777 8.03089 -26.9235 17.3928 TIMING: 1634400 CPU: 5105.36, 0.0031356/step Wall: 5105.36, 0.0031356/step, 2.93144 hours remaining, 234.968750 MB of memory in use. ENERGY: 1634400 4008.9596 20505.0190 14499.1181 236.8977 -203112.7841 2641.2804 0.0000 0.0000 52192.7215 -109028.7879 299.9523 -161221.5093 -108671.3900 299.6947 -22.9941 0.6267 762710.9307 11.3996 11.4997 PRESSURE: 1634600 59.7952 59.2291 -167.777 59.2296 -214.391 158.835 -167.777 158.836 122.97 GPRESSURE: 1634600 141.262 -51.1594 -186.567 41.2249 -133.391 199.766 -82.3776 91.9363 67.0614 PRESSAVG: 1634600 -4.47056 12.7708 -32.5372 12.7709 24.3334 19.1687 -32.5372 19.1687 12.8866 GPRESSAVG: 1634600 -3.51221 14.9314 -32.2416 10.3947 23.4804 18.356 -31.2014 19.1137 12.8053 TIMING: 1634600 CPU: 5105.98, 0.00313055/step Wall: 5105.98, 0.00313055/step, 2.92654 hours remaining, 234.968750 MB of memory in use. ENERGY: 1634600 3937.8468 20529.4104 14463.7181 248.4906 -203103.5888 2691.9125 0.0000 0.0000 52213.5706 -109018.6398 300.0721 -161232.2104 -108642.4100 299.4093 -10.5419 24.9776 762931.4555 10.9165 10.9245 PRESSURE: 1634800 -31.5876 86.4725 125.988 86.4716 -20.8532 -25.2058 125.988 -25.206 90.0836 GPRESSURE: 1634800 115.377 156.414 55.9058 103.284 -29.892 -24.0485 -1.91471 40.9463 46.8685 PRESSAVG: 1634800 26.9359 -15.4297 -11.0206 -15.4297 14.6722 19.0066 -11.0206 19.0066 1.98784 GPRESSAVG: 1634800 27.5365 -16.4819 -10.2949 -14.1884 14.4937 19.6392 -11.5774 18.8074 1.80635 TIMING: 1634800 CPU: 5106.61, 0.00313082/step Wall: 5106.61, 0.00313082/step, 2.92662 hours remaining, 234.968750 MB of memory in use. ENERGY: 1634800 3988.2698 20623.7496 14445.9254 221.4179 -202913.1648 2491.8895 0.0000 0.0000 52075.9860 -109065.9266 299.2814 -161141.9127 -108708.0446 299.7366 12.5476 44.1179 761284.1267 14.5320 14.6122 PRESSURE: 1635000 -221.529 51.6348 -163.507 51.6348 66.4082 86.675 -163.508 86.6752 -326.752 GPRESSURE: 1635000 -128.862 51.6222 -188.084 4.92482 54.2347 161.83 -122.545 111.909 -319.669 PRESSAVG: 1635000 -62.6767 10.907 -8.98394 10.907 35.663 6.78821 -8.98393 6.78827 -16.7982 GPRESSAVG: 1635000 -63.0994 11.4367 -8.68174 10.3365 35.2239 6.4652 -11.6645 4.65074 -16.5861 TIMING: 1635000 CPU: 5107.24, 0.0031281/step Wall: 5107.24, 0.0031281/step, 2.92391 hours remaining, 234.968750 MB of memory in use. ENERGY: 1635000 4057.1735 20641.8891 14492.1993 267.1599 -203627.1417 3033.9757 0.0000 0.0000 52200.0129 -108934.7314 299.9942 -161134.7443 -108578.7688 300.1183 -160.6243 -131.4324 761450.1520 -14.6040 -14.8205 PRESSURE: 1635200 88.7749 -7.07048 -173.37 -7.07039 -81.0634 113.066 -173.371 113.068 -102.602 GPRESSURE: 1635200 82.6985 92.2247 -231.823 -75.3296 -31.2446 84.0528 -125.501 137.955 -64.2332 PRESSAVG: 1635200 -31.4207 0.22423 -30.8916 0.224217 7.33555 -36.7775 -30.8916 -36.7776 9.56441 GPRESSAVG: 1635200 -32.698 0.810505 -31.5305 0.793699 9.20921 -36.4167 -27.4804 -35.8179 9.60531 TIMING: 1635200 CPU: 5107.87, 0.00314201/step Wall: 5107.87, 0.00314201/step, 2.93673 hours remaining, 234.968750 MB of memory in use. ENERGY: 1635200 3943.3230 20611.7025 14581.7250 252.8812 -203513.5438 2866.5212 0.0000 0.0000 52288.3784 -108969.0125 300.5020 -161257.3909 -108610.3457 300.2882 -31.6300 -4.2598 761459.4301 -4.8402 -4.6278 PRESSURE: 1635400 -348.554 -10.5398 94.4047 -10.5403 -270.633 -41.0987 94.404 -41.0978 -61.2615 GPRESSURE: 1635400 -253.167 35.3669 148.483 96.4361 -240.073 -53.0918 -55.3581 -49.9632 -115.302 PRESSAVG: 1635400 -31.8351 -28.7826 15.7955 -28.7827 9.45651 -16.0729 15.7955 -16.0728 -32.3728 GPRESSAVG: 1635400 -31.8192 -29.334 16.0843 -27.0788 9.52302 -17.026 14.5271 -15.4305 -32.5217 TIMING: 1635400 CPU: 5108.49, 0.00312733/step Wall: 5108.49, 0.00312733/step, 2.92284 hours remaining, 234.968750 MB of memory in use. ENERGY: 1635400 4010.8404 20477.0136 14435.9184 259.1524 -203325.2620 2980.9497 0.0000 0.0000 52233.2322 -108928.1554 300.1851 -161161.3876 -108559.8883 300.1639 -226.8163 -202.8472 763174.1489 -18.2505 -18.2726 PRESSURE: 1635600 -154.437 139.29 -104.664 139.29 -338.594 -1.36939 -104.664 -1.36976 -430.123 GPRESSURE: 1635600 -194.712 125.139 -145.958 142.238 -235.335 -69.5616 -96.667 -13.0971 -418.054 PRESSAVG: 1635600 -0.837177 45.0353 9.52844 45.0354 16.073 -19.682 9.52845 -19.6821 8.61382 GPRESSAVG: 1635600 -0.726948 44.0939 8.37621 42.6317 15.6938 -20.0699 9.01033 -20.3831 8.9721 TIMING: 1635600 CPU: 5109.12, 0.00312845/step Wall: 5109.12, 0.00312845/step, 2.92371 hours remaining, 234.968750 MB of memory in use. ENERGY: 1635600 4088.1973 20575.2406 14537.3186 236.8230 -203084.5254 2330.8309 0.0000 0.0000 52083.6945 -109232.4205 299.3257 -161316.1150 -108877.0208 299.7681 -307.7180 -282.7004 762309.2809 7.9499 7.9796 PRESSURE: 1635800 -141.462 226.115 -93.5544 226.117 -384.194 -209.091 -93.5545 -209.09 -116.574 GPRESSURE: 1635800 -105.574 111.908 -107.885 131.501 -301.17 -185.367 -58.4736 -177.735 -126.622 PRESSAVG: 1635800 -77.0634 104.494 -4.17436 104.494 39.2098 31.5414 -4.17437 31.5414 4.73327 GPRESSAVG: 1635800 -76.8786 105.801 -4.27081 104.357 40.3671 31.7449 -4.8156 33.0042 3.67801 TIMING: 1635800 CPU: 5109.74, 0.00312291/step Wall: 5109.74, 0.0031229/step, 2.91835 hours remaining, 234.968750 MB of memory in use. ENERGY: 1635800 4085.6222 20701.2522 14463.5206 247.6884 -203202.1716 2557.5733 0.0000 0.0000 52128.2923 -109018.2227 299.5820 -161146.5150 -108649.0095 299.7690 -214.0767 -177.7888 762690.9937 -11.0401 -10.9445 PRESSURE: 1636000 -8.03852 -28.9244 39.3333 -28.9249 -241.367 64.3086 39.3329 64.3098 277.384 GPRESSURE: 1636000 81.7736 0.449593 64.3061 -142.096 -237.82 38.0022 36.5768 26.9606 261.54 PRESSAVG: 1636000 -14.2772 62.4095 29.1312 62.4095 34.7412 10.8773 29.1313 10.8773 11.6069 GPRESSAVG: 1636000 -14.2073 60.7956 32.2432 63.6114 34.563 10.713 28.8989 11.7977 11.6896 TIMING: 1636000 CPU: 5110.37, 0.00314352/step Wall: 5110.37, 0.00314352/step, 2.93744 hours remaining, 234.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1636000 3967.9088 20618.5817 14454.2668 244.5118 -202960.9973 2546.2652 0.0000 0.0000 52216.5196 -108912.9434 300.0891 -161129.4630 -108538.4432 299.5566 9.3261 35.1644 763732.1496 10.6903 10.6818 PRESSURE: 1636200 -250.619 -144.951 -173.707 -144.951 114.264 -55.9735 -173.708 -55.9733 407.913 GPRESSURE: 1636200 -139.542 -158.866 -114.162 -144.326 106.914 -65.0071 -219.745 1.38063 366.371 PRESSAVG: 1636200 28.3734 14.8314 -5.57608 14.8314 -18.5135 39.0394 -5.57608 39.0394 16.965 GPRESSAVG: 1636200 29.107 15.0342 -7.84014 13.6798 -20.6393 39.731 -4.62276 38.4963 18.1458 TIMING: 1636200 CPU: 5110.99, 0.00312033/step Wall: 5110.99, 0.00312033/step, 2.9156 hours remaining, 234.968750 MB of memory in use. ENERGY: 1636200 3980.1304 20517.8551 14420.4219 257.5839 -203173.9271 2832.7777 0.0000 0.0000 52299.3796 -108865.7784 300.5653 -161165.1580 -108515.0111 299.9110 90.5195 111.2478 763384.7770 8.9416 8.8712 LDB: ============= START OF LOAD BALANCING ============== 5123.47 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5123.47 LDB: =============== DONE WITH MIGRATION ================ 5123.47 LDB: ============= START OF LOAD BALANCING ============== 5123.79 LDB: Largest compute 7052 load 0.029188 is 15.0% of average load 0.195169 LDB: Average compute 0.004396 is 2.3% of average load 0.195169 LDB: TIME 5123.79 LOAD: AVG 0.195169 MAX 0.213214 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.023 MB LDB: TIME 5123.79 LOAD: AVG 0.195169 MAX 0.213214 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.227 MB LDB: TIME 5123.79 LOAD: AVG 0.195169 MAX 0.213214 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.227 MB LDB: ============== END OF LOAD BALANCING =============== 5123.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5123.8 PRESSURE: 1636400 249.807 79.913 -98.1417 79.9129 -143.727 228.977 -98.1424 228.978 71.1466 GPRESSURE: 1636400 207.171 82.5117 -213.271 143.647 -57.9329 224.108 5.72963 282.152 104.572 PRESSAVG: 1636400 -71.1428 -34.1871 -46.1161 -34.1871 30.3556 -5.30247 -46.1161 -5.30245 3.68329 GPRESSAVG: 1636400 -72.2434 -33.2655 -45.6033 -33.8858 32.8164 -5.33325 -46.3958 -3.46341 2.816 TIMING: 1636400 CPU: 5111.63, 0.0031893/step Wall: 5111.63, 0.0031893/step, 2.97987 hours remaining, 233.867188 MB of memory in use. ENERGY: 1636400 4000.6698 20610.2358 14424.5997 253.1681 -203504.4283 2887.7797 0.0000 0.0000 52234.9607 -109093.0145 300.1950 -161327.9752 -108731.2091 300.1542 59.0753 84.6033 764205.9621 -12.3679 -12.2037 PRESSURE: 1636600 202.498 10.8497 18.0352 10.8497 224.849 -34.7861 18.0349 -34.7864 -28.5887 GPRESSURE: 1636600 182.548 -68.3997 15.0189 -153.518 222.839 -48.8685 21.3805 -19.1982 47.5538 PRESSAVG: 1636600 -9.25257 15.4641 -7.29221 15.4641 23.3961 -36.0867 -7.29223 -36.0868 -0.786889 GPRESSAVG: 1636600 -9.47076 14.1888 -8.90668 15.319 23.6372 -35.2264 -5.21482 -38.855 -0.752209 TIMING: 1636600 CPU: 5112.25, 0.0031082/step Wall: 5112.25, 0.0031082/step, 2.90392 hours remaining, 233.867188 MB of memory in use. ENERGY: 1636600 4049.5680 20704.1437 14419.8319 244.0188 -204395.2510 3586.5575 0.0000 0.0000 52315.2453 -109075.8859 300.6564 -161391.1312 -108710.4851 299.7084 132.9195 150.9802 764284.3820 4.4522 4.4714 PRESSURE: 1636800 -73.7675 55.1189 87.9297 55.1193 -434.8 89.1499 87.9309 89.1505 271.061 GPRESSURE: 1636800 -67.2352 61.2261 152.845 -10.8591 -297.756 -4.66938 47.8799 16.1123 229.888 PRESSAVG: 1636800 28.499 8.06815 -62.4233 8.06811 -4.68404 -21.0035 -62.4233 -21.0035 12.2899 GPRESSAVG: 1636800 29.0089 8.87501 -59.7915 6.22625 -5.36621 -21.5492 -63.861 -21.5765 12.5408 TIMING: 1636800 CPU: 5112.88, 0.00312199/step Wall: 5112.88, 0.00312199/step, 2.91663 hours remaining, 233.867188 MB of memory in use. ENERGY: 1636800 4004.5890 20408.2355 14478.9697 249.8901 -203333.7813 3088.4748 0.0000 0.0000 52037.7883 -109065.8339 299.0619 -161103.6222 -108697.3542 299.0620 -79.1687 -45.0343 765477.2610 12.0350 12.0612 PRESSURE: 1637000 69.4329 11.1308 170.627 11.1318 -77.2838 -89.7992 170.627 -89.7995 177.574 GPRESSURE: 1637000 125.139 64.9474 214.252 65.116 -106.742 -10.7846 177.97 -70.9064 247.252 PRESSAVG: 1637000 74.286 -39.0901 -68.7479 -39.0901 -102.815 11.5931 -68.748 11.5932 11.648 GPRESSAVG: 1637000 73.8073 -36.3324 -67.5996 -38.4 -103.747 12.2914 -70.3341 10.4647 13.0006 TIMING: 1637000 CPU: 5113.5, 0.0031058/step Wall: 5113.5, 0.0031058/step, 2.90134 hours remaining, 233.867188 MB of memory in use. ENERGY: 1637000 4006.3061 20449.5023 14569.6786 254.6142 -203057.2929 2736.4577 0.0000 0.0000 52029.5290 -109011.2050 299.0144 -161040.7340 -108647.8241 299.2249 56.5743 88.5497 763117.2605 -5.6269 -5.6463 PRESSURE: 1637200 -370.814 -25.2013 -113.837 -25.2011 -223.014 -183.72 -113.838 -183.721 101.207 GPRESSURE: 1637200 -331.065 -11.8011 -43.823 45.7682 -90.582 -103.055 -92.9355 -122.222 27.8043 PRESSAVG: 1637200 56.3952 -15.1837 0.534009 -15.1836 -19.8109 23.059 0.534032 23.0589 -15.8022 GPRESSAVG: 1637200 56.7588 -17.4249 -1.97043 -14.7011 -19.9269 22.3978 1.42742 24.4026 -16.3554 TIMING: 1637200 CPU: 5114.12, 0.00309643/step Wall: 5114.12, 0.00309643/step, 2.89241 hours remaining, 233.867188 MB of memory in use. ENERGY: 1637200 3991.1572 20548.8924 14512.4506 252.3572 -203379.6855 2801.4021 0.0000 0.0000 52182.3565 -109091.0695 299.8927 -161273.4260 -108720.6565 299.7436 -164.2067 -131.2808 764535.9813 6.9274 6.8255 PRESSURE: 1637400 161.009 1.2136 70.6052 1.21339 200.396 58.1875 70.6048 58.1869 -173.909 GPRESSURE: 1637400 255.048 -161.165 -57.2881 -51.4992 143.276 49.024 -77.8511 -14.2503 -127.826 PRESSAVG: 1637400 12.7563 -30.921 22.1848 -30.921 -13.863 -22.9858 22.1848 -22.9858 22.2123 GPRESSAVG: 1637400 12.8057 -30.8491 21.6861 -31.4405 -13.729 -23.6248 21.7309 -22.3838 21.9537 TIMING: 1637400 CPU: 5114.74, 0.00309914/step Wall: 5114.74, 0.00309914/step, 2.89476 hours remaining, 233.867188 MB of memory in use. ENERGY: 1637400 3978.6131 20445.1273 14440.7774 212.2381 -203257.9298 2885.2424 0.0000 0.0000 52076.6813 -109219.2501 299.2854 -161295.9314 -108845.2565 299.3851 62.4988 90.1661 763644.7680 7.0352 7.0101 PRESSURE: 1637600 -239.221 151.727 -59.1928 151.727 -204.272 32.2953 -59.1927 32.2948 -226.417 GPRESSURE: 1637600 -208.708 185.85 -39.4591 193.574 -14.0331 -31.9207 -52.3542 -36.4141 -336.595 PRESSAVG: 1637600 3.02424 4.05695 -32.0248 4.05694 14.8154 13.0663 -32.0247 13.0663 13.2209 GPRESSAVG: 1637600 3.90021 3.60478 -31.3508 6.00747 15.2965 13.9532 -29.6651 9.27662 11.8819 TIMING: 1637600 CPU: 5115.36, 0.00311926/step Wall: 5115.36, 0.00311926/step, 2.91339 hours remaining, 233.867188 MB of memory in use. ENERGY: 1637600 4032.9312 20638.2449 14439.9945 246.5044 -203454.5027 3006.5271 0.0000 0.0000 52011.4804 -109078.8201 298.9107 -161090.3005 -108719.5176 299.3711 -223.3033 -186.4453 762487.2748 10.3535 10.3595 PRESSURE: 1637800 72.6207 267.204 71.6536 267.203 -47.2355 311.412 71.6551 311.413 -53.6459 GPRESSURE: 1637800 115.049 189.307 45.0867 314.542 -42.4635 364.023 44.4163 298.798 -12.9622 PRESSAVG: 1637800 -40.6311 -10.0924 11.6133 -10.0924 74.0646 4.05615 11.6133 4.05613 11.4029 GPRESSAVG: 1637800 -41.6281 -11.2252 12.5013 -8.30198 74.8502 4.22876 10.4847 7.38263 12.1652 TIMING: 1637800 CPU: 5115.98, 0.00311428/step Wall: 5115.98, 0.00311428/step, 2.90857 hours remaining, 233.867188 MB of memory in use. ENERGY: 1637800 4019.2504 20639.3854 14489.3837 243.2312 -203293.1028 2750.4195 0.0000 0.0000 52310.4424 -108840.9902 300.6288 -161151.4326 -108478.4323 300.1856 -9.4202 19.8744 765009.4626 14.9455 15.1291 PRESSURE: 1638000 225.874 6.28468 -159.763 6.28488 234.161 27.0499 -159.763 27.0512 57.0846 GPRESSURE: 1638000 234.278 38.3592 -152.917 16.6019 194.883 -58.0572 -217.736 -10.0221 158.394 PRESSAVG: 1638000 21.0343 -22.5163 41.3232 -22.5163 -0.583775 48.5305 41.3232 48.5306 -12.679 GPRESSAVG: 1638000 21.5811 -22.9981 39.9776 -23.3315 -2.73139 47.0123 42.067 47.4894 -11.548 TIMING: 1638000 CPU: 5116.61, 0.00311767/step Wall: 5116.61, 0.00311767/step, 2.91156 hours remaining, 233.867188 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: 1638000 4014.1490 20684.3593 14378.6238 252.0689 -203236.9022 2913.3149 0.0000 0.0000 52177.7475 -108816.6388 299.8662 -160994.3863 -108456.4859 300.2460 172.3732 195.8516 764932.9135 2.5905 2.4339 PRESSURE: 1638200 197.509 -242.523 -137.763 -242.524 -456.995 -205.229 -137.763 -205.229 187.879 GPRESSURE: 1638200 258.726 -366.718 -183.378 -191.074 -358.376 -292.425 -20.813 -161.939 118.977 PRESSAVG: 1638200 6.55437 -51.9615 -14.583 -51.9614 31.3024 35.815 -14.583 35.815 0.846339 GPRESSAVG: 1638200 6.59758 -49.5828 -14.4924 -55.0959 33.1849 34.5026 -15.1732 35.5343 -1.21355 TIMING: 1638200 CPU: 5117.23, 0.00311568/step Wall: 5117.23, 0.00311568/step, 2.90952 hours remaining, 233.867188 MB of memory in use. ENERGY: 1638200 4064.5410 20449.0572 14354.8327 241.0243 -203213.4684 2826.1033 0.0000 0.0000 52235.7653 -109042.1446 300.1997 -161277.9099 -108662.7416 299.8365 -23.8692 6.4424 763737.3152 12.9010 12.8563 PRESSURE: 1638400 35.2231 -60.9977 8.55981 -60.9974 160.221 -80.0059 8.56015 -80.0074 -217.455 GPRESSURE: 1638400 67.5687 -55.5582 -16.503 -131.795 161.121 -101.921 -13.4361 -80.8581 -152.518 PRESSAVG: 1638400 14.2312 -48.735 -46.6559 -48.735 11.8756 8.75508 -46.6558 8.755 4.59361 GPRESSAVG: 1638400 13.1013 -49.6761 -47.863 -46.9915 10.9993 11.585 -46.2932 7.58725 6.18917 TIMING: 1638400 CPU: 5117.86, 0.00313163/step Wall: 5117.86, 0.00313163/step, 2.92424 hours remaining, 233.867188 MB of memory in use. ENERGY: 1638400 4057.5044 20594.1245 14407.0426 244.8586 -203544.5382 2929.5217 0.0000 0.0000 52246.3983 -109065.0882 300.2608 -161311.4864 -108700.1099 299.3839 -7.3371 25.3904 764511.8561 10.2334 10.0966 PRESSURE: 1638600 7.34252 203.849 125.641 203.849 318.654 71.3507 125.642 71.3515 -9.39844 GPRESSURE: 1638600 77.305 57.4309 89.3253 236.351 337.114 124.859 109.465 -31.8133 -15.4664 PRESSAVG: 1638600 41.1134 -58.7184 11.9548 -58.7184 -21.549 -2.06455 11.9548 -2.06456 -2.67191 GPRESSAVG: 1638600 41.1155 -57.7803 11.2021 -59.6143 -21.0471 -4.11708 11.5292 -1.04436 -3.50333 TIMING: 1638600 CPU: 5118.48, 0.00312914/step Wall: 5118.48, 0.00312914/step, 2.92174 hours remaining, 233.867188 MB of memory in use. ENERGY: 1638600 4030.7869 20413.2700 14457.1391 238.9125 -203378.8786 3063.6860 0.0000 0.0000 52309.2377 -108865.8464 300.6219 -161175.0842 -108499.1136 299.7810 105.5328 132.9841 763746.3142 5.6308 5.5217 PRESSURE: 1638800 229.241 2.8419 97.7322 2.84106 -131.51 162.813 97.7322 162.813 185.687 GPRESSURE: 1638800 225.234 -18.4438 90.9847 -77.8751 -84.7602 108.004 216.647 -8.65967 216.293 PRESSAVG: 1638800 -19.8608 -26.1251 12.4311 -26.1252 33.2773 66.4292 12.4311 66.4292 -10.4027 GPRESSAVG: 1638800 -19.2401 -27.8099 12.9479 -25.4647 32.7967 67.8326 13.41 65.8345 -10.6448 TIMING: 1638800 CPU: 5119.11, 0.00313637/step Wall: 5119.11, 0.00313637/step, 2.92833 hours remaining, 233.867188 MB of memory in use. ENERGY: 1638800 4064.7275 20516.6424 14415.1683 270.3293 -203394.9018 3016.0804 0.0000 0.0000 52153.7835 -108958.1704 299.7285 -161111.9539 -108590.3028 299.8149 94.4727 118.9222 763570.0234 1.0046 0.9706 PRESSURE: 1639000 134.06 -27.9802 -166.865 -27.9798 285.697 -136.809 -166.865 -136.808 270.847 GPRESSURE: 1639000 139.371 -62.4135 -168.391 -180.93 313.849 -136.548 -82.5997 -128.933 331.273 PRESSAVG: 1639000 1.66898 -25.8801 -52.9588 -25.8801 20.5521 2.82288 -52.9588 2.82291 6.53595 GPRESSAVG: 1639000 1.07544 -25.3593 -52.832 -28.6479 20.7403 3.37605 -51.8961 4.0259 6.69315 TIMING: 1639000 CPU: 5119.74, 0.00314285/step Wall: 5119.74, 0.00314285/step, 2.9342 hours remaining, 233.867188 MB of memory in use. ENERGY: 1639000 4000.4424 20586.6107 14441.2456 248.3196 -203716.3481 3233.9844 0.0000 0.0000 52303.6300 -108902.1153 300.5897 -161205.7453 -108553.8124 299.7628 230.2011 261.4978 763161.1921 9.5857 9.5030 PRESSURE: 1639200 -75.7306 105.277 -130.745 105.277 -107.087 -110.438 -130.745 -110.438 -29.8781 GPRESSURE: 1639200 -62.5505 152.27 -101.029 137.71 -27.0747 -109.166 -163.553 -145.134 -35.1721 PRESSAVG: 1639200 13.8264 -39.3369 -1.56341 -39.3369 3.21938 6.64854 -1.5634 6.6485 -5.44698 GPRESSAVG: 1639200 14.4759 -39.8869 -1.13208 -37.7654 3.28609 3.66319 -3.96739 7.44072 -5.84296 TIMING: 1639200 CPU: 5120.37, 0.00313233/step Wall: 5120.37, 0.00313233/step, 2.9242 hours remaining, 233.867188 MB of memory in use. ENERGY: 1639200 4021.8292 20591.5352 14425.3018 245.3083 -203395.7859 2954.8969 0.0000 0.0000 51856.5175 -109300.3969 298.0201 -161156.9145 -108933.0852 299.4952 -70.8986 -41.5991 763669.2567 3.8663 3.9730 PRESSURE: 1639400 -225.952 -110.707 74.6238 -110.706 -79.4713 -184.076 74.6241 -184.075 -88.4601 GPRESSURE: 1639400 -284.117 -62.0991 110.901 -22.011 -46.1845 -155.557 -26.8085 -169.783 21.403 PRESSAVG: 1639400 -39.2716 -48.5194 4.30721 -48.5195 40.2307 15.0997 4.30725 15.0996 -1.28829 GPRESSAVG: 1639400 -40.7467 -47.0895 5.29867 -47.3678 40.1428 19.4133 4.9735 14.7158 0.153515 TIMING: 1639400 CPU: 5120.99, 0.00312611/step Wall: 5120.99, 0.00312611/step, 2.91822 hours remaining, 233.867188 MB of memory in use. ENERGY: 1639400 3946.3685 20561.8558 14468.8889 252.4661 -203565.5264 2847.4817 0.0000 0.0000 52257.1110 -109231.3543 300.3223 -161488.4653 -108864.8042 299.0003 -131.2944 -102.9662 764327.2357 -0.1097 -0.1501 PRESSURE: 1639600 85.1852 -57.9593 310.695 -57.9597 -23.0876 -156.617 310.696 -156.618 -32.0375 GPRESSURE: 1639600 120.851 -12.2392 276.597 -109.887 10.1512 -168.19 249.519 -57.5244 -8.31905 PRESSAVG: 1639600 40.9874 -5.81844 25.7177 -5.81845 7.41167 -17.2287 25.7177 -17.2287 1.48799 GPRESSAVG: 1639600 41.402 -6.0061 26.2442 -7.02086 7.64614 -18.3071 24.325 -18.8793 1.01825 TIMING: 1639600 CPU: 5121.62, 0.00312575/step Wall: 5121.62, 0.00312575/step, 2.91771 hours remaining, 233.867188 MB of memory in use. ENERGY: 1639600 3990.0864 20382.9674 14474.1891 245.2991 -203290.8637 2832.4669 0.0000 0.0000 52023.1250 -109342.7298 298.9776 -161365.8549 -108986.1100 298.9057 10.0200 40.8944 763312.0216 16.6290 16.6888 PRESSURE: 1639800 79.009 -43.6757 13.7085 -43.6754 207.131 -55.5894 13.708 -55.5897 -129.958 GPRESSURE: 1639800 88.0904 -36.369 38.3094 -4.7672 259.135 -7.46069 7.89279 -155.815 -110.532 PRESSAVG: 1639800 -22.2694 -19.1584 -2.50211 -19.1585 19.8687 -60.9191 -2.50214 -60.9191 -18.2042 GPRESSAVG: 1639800 -21.3578 -20.0551 -3.57792 -18.199 20.0143 -59.7284 -0.941919 -60.0202 -18.7601 TIMING: 1639800 CPU: 5122.24, 0.00312564/step Wall: 5122.24, 0.00312564/step, 2.91744 hours remaining, 233.867188 MB of memory in use. ENERGY: 1639800 3994.3589 20445.1478 14408.8639 221.6955 -203442.2261 2832.4850 0.0000 0.0000 52195.0575 -109344.6176 299.9657 -161539.6751 -108985.5928 298.5713 52.0606 78.8975 762895.9633 -6.8683 -6.7012 PRESSURE: 1640000 -278.702 85.0309 17.8003 85.0325 -28.8732 48.7808 17.8011 48.7807 -58.8378 GPRESSURE: 1640000 -76.3292 48.1931 32.0059 -22.5758 -53.1776 102.02 44.7616 -39.8824 -147.414 PRESSAVG: 1640000 -75.7535 -54.4597 60.8543 -54.4597 29.7765 -99.842 60.8543 -99.842 -10.6115 GPRESSAVG: 1640000 -75.9334 -54.2924 62.1985 -55.0848 29.4699 -99.6999 60.2318 -100.666 -10.0589 TIMING: 1640000 CPU: 5122.87, 0.00312548/step Wall: 5122.87, 0.00312548/step, 2.91711 hours remaining, 233.867188 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: 1640000 3956.5708 20407.4522 14464.9523 234.7258 -203309.4613 2661.5949 0.0000 0.0000 51948.3795 -109635.7858 298.5481 -161584.1653 -109284.5253 298.4188 -122.1376 -92.3068 763341.1080 -18.8628 -18.8408 PRESSURE: 1640200 -111.601 -139.047 139.37 -139.047 -33.8872 52.9776 139.371 52.9772 -392.417 GPRESSURE: 1640200 -110.357 -163.408 108.3 -131.905 38.6465 -5.90574 193.786 23.213 -371.956 PRESSAVG: 1640200 -15.9624 14.7312 47.3086 14.7312 9.1452 0.347386 47.3085 0.347408 -25.5479 GPRESSAVG: 1640200 -15.8296 14.2418 45.8936 13.7874 10.0041 -3.91354 47.6785 2.33599 -26.2645 TIMING: 1640200 CPU: 5123.5, 0.00315443/step Wall: 5123.5, 0.00315443/step, 2.94396 hours remaining, 233.867188 MB of memory in use. ENERGY: 1640200 4004.8314 20360.4452 14420.5354 240.4688 -203625.5019 2989.0813 0.0000 0.0000 51987.5043 -109622.6355 298.7729 -161610.1397 -109271.8768 298.0633 -179.3018 -147.8888 763834.9585 -10.7884 -10.6967 LDB: ============= START OF LOAD BALANCING ============== 5135.98 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5135.98 LDB: =============== DONE WITH MIGRATION ================ 5135.98 LDB: ============= START OF LOAD BALANCING ============== 5136.29 LDB: Largest compute 6998 load 0.029543 is 15.1% of average load 0.195025 LDB: Average compute 0.004377 is 2.2% of average load 0.195025 LDB: TIME 5136.3 LOAD: AVG 0.195025 MAX 0.214489 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.562 MB LDB: TIME 5136.3 LOAD: AVG 0.195025 MAX 0.214489 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.562 MB LDB: TIME 5136.3 LOAD: AVG 0.195025 MAX 0.214489 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.562 MB LDB: ============== END OF LOAD BALANCING =============== 5136.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5136.31 PRESSURE: 1640400 -200.134 65.0472 24.1622 65.0475 -57.1684 -260.458 24.163 -260.457 430.503 GPRESSURE: 1640400 -107.282 25.3263 45.0385 164.911 11.4332 -267.737 -92.5457 -140.045 362.462 PRESSAVG: 1640400 -27.6615 -29.8016 -26.4008 -29.8015 -6.52374 17.6512 -26.4009 17.6512 -4.09065 GPRESSAVG: 1640400 -27.0434 -29.5511 -25.3119 -28.9796 -6.857 20.2643 -25.5372 17.4354 -3.79036 TIMING: 1640400 CPU: 5124.14, 0.00321209/step Wall: 5124.14, 0.00321209/step, 2.99759 hours remaining, 234.050781 MB of memory in use. ENERGY: 1640400 4012.4090 20479.4373 14406.0983 222.9137 -203552.1877 3049.9685 0.0000 0.0000 51807.5098 -109573.8512 297.7385 -161381.3610 -109216.4740 298.0267 57.7332 88.8713 764862.3133 -12.7586 -12.5636 PRESSURE: 1640600 36.4419 -57.6784 -16.9221 -57.6788 -48.2269 181.266 -16.9209 181.266 57.1624 GPRESSURE: 1640600 97.8965 -155.043 11.2237 -23.0859 33.4765 195.087 -78.1529 38.1194 -10.3933 PRESSAVG: 1640600 -21.5242 -1.67826 -7.21707 -1.67832 61.3027 -27.0992 -7.21705 -27.0993 -1.25369 GPRESSAVG: 1640600 -22.6166 -0.52962 -7.19134 -1.09557 61.3448 -27.6699 -8.613 -27.9444 -0.517451 TIMING: 1640600 CPU: 5124.76, 0.00311998/step Wall: 5124.76, 0.00311998/step, 2.91146 hours remaining, 234.050781 MB of memory in use. ENERGY: 1640600 3955.2348 20654.0263 14442.4586 235.5835 -203005.2435 2640.7234 0.0000 0.0000 51716.6317 -109360.5852 297.2162 -161077.2168 -109001.7057 298.2647 15.1258 40.3266 764541.8367 12.8416 12.7369 PRESSURE: 1640800 -103.335 96.9552 -7.60632 96.9551 -123.089 -80.7238 -7.60566 -80.7242 -92.5573 GPRESSURE: 1640800 -90.4245 -6.11407 64.5121 52.4878 -23.5563 -111.375 -75.6264 -86.8333 -106.915 PRESSAVG: 1640800 -24.8874 22.4593 10.5675 22.4593 38.6323 -5.66003 10.5674 -5.66004 -11.8782 GPRESSAVG: 1640800 -24.4783 20.9613 9.9752 23.0782 39.1059 -5.22128 10.4502 -6.26975 -12.9417 TIMING: 1640800 CPU: 5125.39, 0.00314149/step Wall: 5125.39, 0.00314149/step, 2.93136 hours remaining, 234.050781 MB of memory in use. ENERGY: 1640800 3999.4932 20555.9063 14421.0971 264.1267 -203338.3831 3014.9040 0.0000 0.0000 51901.1588 -109181.6970 298.2767 -161082.8557 -108818.7606 298.6457 -106.3274 -73.6321 764260.2781 0.6222 0.5620 PRESSURE: 1641000 -399.488 13.437 -70.6618 13.4375 243.337 -48.4616 -70.6624 -48.4613 -45.7466 GPRESSURE: 1641000 -395.929 95.8729 -77.3503 45.5146 198.131 -63.8453 -64.0471 88.0864 55.9343 PRESSAVG: 1641000 -47.8849 -37.6107 6.85727 -37.6107 35.3247 -5.12907 6.85726 -5.12913 -0.0900572 GPRESSAVG: 1641000 -47.5977 -37.2208 7.26346 -38.742 34.3911 -6.651 9.27942 -3.21252 0.340816 TIMING: 1641000 CPU: 5126.02, 0.0031385/step Wall: 5126.02, 0.0031385/step, 2.9284 hours remaining, 234.050781 MB of memory in use. ENERGY: 1641000 4018.1133 20516.9494 14450.2288 273.8651 -202941.9322 2416.4911 0.0000 0.0000 52036.1020 -109230.1824 299.0522 -161266.2844 -108866.5056 298.9936 -67.2993 -47.2879 764478.1875 -4.2167 -4.2886 PRESSURE: 1641200 -83.6707 -61.7349 -10.6171 -61.7349 169.288 -17.5489 -10.6172 -17.5485 144.66 GPRESSURE: 1641200 3.59811 -5.83029 -86.7804 -152.751 153.619 -79.2571 135.393 -66.7766 162.772 PRESSAVG: 1641200 -54.8167 -9.28291 22.7229 -9.28293 25.1854 43.4761 22.7228 43.476 -6.1388 GPRESSAVG: 1641200 -56.015 -7.41787 23.2054 -9.27676 25.4247 45.7025 21.2959 39.8972 -5.28654 TIMING: 1641200 CPU: 5126.65, 0.0031292/step Wall: 5126.65, 0.0031292/step, 2.91954 hours remaining, 234.050781 MB of memory in use. ENERGY: 1641200 3976.3774 20507.5851 14378.7031 239.2860 -203515.9896 3053.2031 0.0000 0.0000 52191.1429 -109169.6920 299.9432 -161360.8349 -108806.8748 299.7272 76.7591 106.6633 762503.1484 -11.9234 -11.9589 PRESSURE: 1641400 123.565 -1.3534 -17.3593 -1.354 389.312 1.43044 -17.3587 1.42988 -48.7667 GPRESSURE: 1641400 152.784 110.638 18.3292 8.79952 387.709 -31.5369 102.926 45.1497 8.06075 PRESSAVG: 1641400 -16.2348 16.8993 -12.1178 16.8992 6.03238 -3.6091 -12.1178 -3.60915 -19.3132 GPRESSAVG: 1641400 -16.2702 15.8559 -14.4586 15.6392 4.81953 -5.21665 -11.2592 -2.48306 -18.2366 TIMING: 1641400 CPU: 5127.27, 0.00312186/step Wall: 5127.27, 0.00312186/step, 2.91252 hours remaining, 234.050781 MB of memory in use. ENERGY: 1641400 4022.7171 20357.0357 14369.0312 236.4481 -203512.8306 2949.5013 0.0000 0.0000 52229.3402 -109348.7570 300.1627 -161578.0972 -108981.7092 299.2179 154.7036 182.8511 762758.3431 -9.8385 -9.8958 PRESSURE: 1641600 -363.575 -106.382 15.8946 -106.383 128.418 -261.047 15.894 -261.046 192.958 GPRESSURE: 1641600 -290.183 -33.9621 -104.949 -28.6252 139.845 -284.682 157.737 -168.765 186.351 PRESSAVG: 1641600 -40.6749 -36.304 -20.2214 -36.304 13.8919 -16.0132 -20.2214 -16.0132 14.1681 GPRESSAVG: 1641600 -39.8888 -39.1021 -18.6075 -34.6919 15.3125 -14.7893 -19.8298 -15.5719 12.4874 TIMING: 1641600 CPU: 5127.9, 0.00316518/step Wall: 5127.9, 0.00316518/step, 2.95276 hours remaining, 234.050781 MB of memory in use. ENERGY: 1641600 3962.5678 20491.2709 14352.4873 238.4442 -203372.6679 2903.3332 0.0000 0.0000 52053.9939 -109370.5706 299.1550 -161424.5645 -109004.2997 298.7242 -14.0661 12.0044 762439.0310 -4.2049 -4.0296 PRESSURE: 1641800 308.626 32.0934 180.302 32.0931 275.294 -51.8137 180.301 -51.8142 -319.566 GPRESSURE: 1641800 327.019 -50.1911 81.1935 178.595 313.411 -126.733 173.835 189.201 -301.297 PRESSAVG: 1641800 -31.6382 -22.618 -62.3897 -22.618 3.57332 24.0154 -62.3897 24.0154 -6.68893 GPRESSAVG: 1641800 -31.1615 -22.3136 -61.0276 -22.3603 2.77174 22.1963 -64.9831 24.4016 -6.09066 TIMING: 1641800 CPU: 5128.53, 0.00315039/step Wall: 5128.53, 0.00315039/step, 2.93879 hours remaining, 234.050781 MB of memory in use. ENERGY: 1641800 3992.4545 20541.1705 14311.1851 231.7604 -203700.5037 3072.5242 0.0000 0.0000 52114.2897 -109437.1193 299.5015 -161551.4090 -109082.6664 298.7421 88.1180 113.0440 762449.0334 -11.5846 -11.4935 PRESSURE: 1642000 -36.8298 15.7402 -97.4369 15.7408 -174.8 268.837 -97.436 268.837 147.744 GPRESSURE: 1642000 117.207 -35.9312 -172.304 47.6905 -189.522 268.963 -36.9697 89.6495 109.166 PRESSAVG: 1642000 -18.0103 -34.6904 -10.3065 -34.6904 -4.31448 22.1671 -10.3065 22.1671 3.11431 GPRESSAVG: 1642000 -17.1272 -33.2773 -10.5429 -35.9027 -5.62264 22.3191 -8.0074 21.5754 3.88359 TIMING: 1642000 CPU: 5129.16, 0.00313181/step Wall: 5129.16, 0.0031318/step, 2.92128 hours remaining, 234.050781 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: 1642000 3987.3291 20476.5101 14422.9202 216.6925 -203068.4622 2614.6334 0.0000 0.0000 52006.9962 -109343.3806 298.8849 -161350.3768 -108979.8545 298.5352 -21.2952 12.2838 763075.9806 -6.4035 -6.2888 PRESSURE: 1642200 -87.7349 56.5776 57.6824 56.5775 -325.382 136.859 57.6822 136.859 -159.304 GPRESSURE: 1642200 -158.952 108.49 67.9297 -0.313034 -175.856 176.505 40.3398 26.0693 -140.538 PRESSAVG: 1642200 -3.01756 -18.3242 0.308104 -18.3243 -15.7148 -23.1243 0.308078 -23.1242 15.1222 GPRESSAVG: 1642200 -5.33894 -18.1995 -2.27441 -20.0356 -14.5568 -22.5814 -0.127344 -22.2163 16.1767 TIMING: 1642200 CPU: 5129.78, 0.00311878/step Wall: 5129.78, 0.00311878/step, 2.90895 hours remaining, 234.050781 MB of memory in use. ENERGY: 1642200 3998.6230 20483.6815 14380.6922 258.7736 -203369.4551 2822.6279 0.0000 0.0000 51985.2122 -109439.8447 298.7597 -161425.0569 -109078.9587 298.6542 -190.8068 -158.4486 762783.0183 -1.2034 -1.2397 PRESSURE: 1642400 -369.645 67.3491 -55.7174 67.3492 32.5144 40.3456 -55.7174 40.346 76.5362 GPRESSURE: 1642400 -356.806 21.1491 -131.658 56.2199 58.3998 53.2071 -15.1786 90.07 116.702 PRESSAVG: 1642400 14.5055 -10.6098 83.0174 -10.6098 12.9965 24.3132 83.0173 24.3132 -4.69133 GPRESSAVG: 1642400 14.9373 -9.47744 84.7447 -8.66358 13.9656 24.1873 83.3756 23.1935 -6.08149 TIMING: 1642400 CPU: 5130.41, 0.00313018/step Wall: 5130.41, 0.00313018/step, 2.91941 hours remaining, 234.050781 MB of memory in use. ENERGY: 1642400 3990.1214 20559.2170 14417.6023 253.5499 -203461.5555 2753.1964 0.0000 0.0000 52022.7553 -109465.1134 298.9755 -161487.8687 -109110.0445 298.8050 -86.8647 -60.5684 760818.1661 7.6036 7.6071 PRESSURE: 1642600 -72.6714 49.8621 193.412 49.8621 159.448 -227.587 193.412 -227.587 -114.828 GPRESSURE: 1642600 -83.9367 -64.0512 179.116 11.9122 232.793 -197.016 68.0163 -103.22 -90.1341 PRESSAVG: 1642600 -0.376466 -31.5947 5.92332 -31.5946 12.4427 -28.8458 5.92335 -28.8458 -3.38744 GPRESSAVG: 1642600 1.14522 -33.5837 6.40553 -30.9157 11.6338 -28.6668 5.60966 -26.8474 -4.14186 TIMING: 1642600 CPU: 5131.03, 0.00312401/step Wall: 5131.03, 0.00312401/step, 2.91349 hours remaining, 234.050781 MB of memory in use. ENERGY: 1642600 3986.4149 20489.2851 14383.7217 240.9798 -203820.2650 3137.0261 0.0000 0.0000 52376.0098 -109206.8277 301.0056 -161582.8375 -108842.0953 299.2427 -9.3504 19.5741 761386.1208 2.8929 2.8790 PRESSURE: 1642800 -307.955 -149.25 52.3712 -149.251 326.81 -173.371 52.3707 -173.371 -106.524 GPRESSURE: 1642800 -240.041 -106.587 42.5846 -134.247 380.607 -173.165 1.2052 -164.593 -138.87 PRESSAVG: 1642800 -4.66592 -5.65936 -1.16522 -5.65941 12.211 -19.5074 -1.16529 -19.5074 4.13136 GPRESSAVG: 1642800 -5.20124 -4.16656 -3.45509 -7.24491 12.3222 -20.2425 -2.19164 -21.1581 4.45475 TIMING: 1642800 CPU: 5131.66, 0.00312109/step Wall: 5131.66, 0.00312109/step, 2.91059 hours remaining, 234.050781 MB of memory in use. ENERGY: 1642800 3933.7672 20495.7809 14355.5975 255.7892 -203672.4327 3051.9111 0.0000 0.0000 52024.2368 -109555.3500 298.9840 -161579.5867 -109201.1453 299.1334 -29.2231 0.5654 762909.2210 3.8921 3.8586 PRESSURE: 1643000 -258.087 42.5861 -264.831 42.5869 -133.349 -5.00354 -264.832 -5.00468 -148.817 GPRESSURE: 1643000 -269.92 -40.0283 -333.686 75.4985 -87.7877 11.1146 -109.646 83.6132 -80.8961 PRESSAVG: 1643000 -24.2684 26.3136 -2.94882 26.3136 13.3019 21.9925 -2.94881 21.9925 -1.38022 GPRESSAVG: 1643000 -25.6282 24.7896 -1.63714 29.8201 14.0892 22.0263 -2.25854 22.8131 -0.769701 TIMING: 1643000 CPU: 5132.28, 0.00310781/step Wall: 5132.28, 0.00310781/step, 2.89803 hours remaining, 234.050781 MB of memory in use. ENERGY: 1643000 3921.7075 20517.1049 14399.9738 257.3929 -203659.8078 2943.4554 0.0000 0.0000 52069.9084 -109550.2648 299.2465 -161620.1732 -109193.5498 298.4451 -180.0841 -146.2012 764311.0963 -4.1156 -4.1029 PRESSURE: 1643200 6.67797 -140.265 -64.8022 -140.265 66.9708 -43.6226 -64.8019 -43.6229 445.876 GPRESSURE: 1643200 69.4935 -87.6212 -15.0503 -80.7227 128.999 -58.7644 -61.3006 -68.4515 418.364 PRESSAVG: 1643200 -17.5487 18.0886 -4.16677 18.0886 -10.9026 -8.81167 -4.16676 -8.81176 1.68259 GPRESSAVG: 1643200 -17.4444 18.9692 -4.58613 16.685 -10.6643 -8.2576 -2.87002 -9.21103 1.16429 TIMING: 1643200 CPU: 5132.9, 0.00311196/step Wall: 5132.9, 0.00311196/step, 2.90173 hours remaining, 234.050781 MB of memory in use. ENERGY: 1643200 3897.9490 20501.2338 14380.7454 260.5739 -203816.4624 2993.0550 0.0000 0.0000 52262.3016 -109520.6038 300.3522 -161782.9054 -109153.8434 298.6896 173.1750 205.6188 762249.8362 -8.9229 -8.9815 PRESSURE: 1643400 -182.344 -55.7124 44.6537 -55.712 -189.243 -101.992 44.6541 -101.993 72.0323 GPRESSURE: 1643400 -157.224 -71.2553 66.1905 -108.367 -167.404 -133.412 -116.078 -43.4244 124.572 PRESSAVG: 1643400 20.9441 -41.7801 -51.4449 -41.7801 9.61301 9.91413 -51.4449 9.9141 20.3905 GPRESSAVG: 1643400 21.7771 -40.0119 -49.0353 -42.0909 8.2045 10.6459 -54.3356 8.36455 21.2141 TIMING: 1643400 CPU: 5133.53, 0.00312084/step Wall: 5133.53, 0.00312084/step, 2.90983 hours remaining, 234.050781 MB of memory in use. ENERGY: 1643400 4032.8301 20486.6567 14391.5273 240.3922 -203033.7770 2554.3877 0.0000 0.0000 51922.0418 -109405.9411 298.3967 -161327.9830 -109056.0304 298.4993 -99.8515 -66.6855 763707.2395 16.9825 17.0653 PRESSURE: 1643600 -398.076 -208.289 -88.3872 -208.289 -168.96 -2.53509 -88.3877 -2.53434 -148.663 GPRESSURE: 1643600 -264.596 -154.55 -76.8851 -111.667 -220.646 15.8951 6.22219 -117.859 -137.414 PRESSAVG: 1643600 -34.3052 -12.4131 6.4046 -12.4131 46.4885 -2.50613 6.40463 -2.50614 -16.948 GPRESSAVG: 1643600 -34.1664 -15.9702 4.89465 -12.5435 46.6047 -2.6715 7.33522 -3.11431 -16.9513 TIMING: 1643600 CPU: 5134.15, 0.00311411/step Wall: 5134.15, 0.00311411/step, 2.90339 hours remaining, 234.050781 MB of memory in use. ENERGY: 1643600 4066.2273 20713.2854 14401.6425 242.8044 -203037.1219 2610.6166 0.0000 0.0000 52055.9957 -108946.5501 299.1665 -161002.5458 -108586.1019 299.1780 -238.5662 -207.5520 762489.3377 -1.5882 -1.5043 PRESSURE: 1643800 426.432 83.1521 -26.8587 83.1522 -112.958 -75.0088 -26.8591 -75.0092 115.36 GPRESSURE: 1643800 400.373 145.607 -80.3087 74.5969 19.9394 -128.01 85.1675 -133.013 91.8709 PRESSAVG: 1643800 35.1256 -33.3696 -20.9675 -33.3697 -29.6725 52.4333 -20.9675 52.4333 1.73896 GPRESSAVG: 1643800 34.8808 -31.6943 -19.7788 -33.9732 -29.4642 50.689 -20.924 55.7541 2.18997 TIMING: 1643800 CPU: 5134.77, 0.0031114/step Wall: 5134.77, 0.0031114/step, 2.90069 hours remaining, 234.050781 MB of memory in use. ENERGY: 1643800 3976.2692 20580.9540 14484.5253 262.4397 -203404.4319 2862.8398 0.0000 0.0000 52048.4954 -109188.9084 299.1234 -161237.4038 -108839.5565 299.6287 142.9445 170.7278 761715.2956 2.3974 2.5355 PRESSURE: 1644000 -5.10087 31.835 -77.5263 31.8356 -260.165 87.9783 -77.5267 87.9787 23.8831 GPRESSURE: 1644000 102.913 -25.2147 45.7384 -33.9854 -260.364 45.8511 -54.4366 91.3824 -2.08242 PRESSAVG: 1644000 18.2523 -47.9858 20.6357 -47.9857 7.80337 21.4278 20.6357 21.4278 14.9186 GPRESSAVG: 1644000 16.9153 -48.4639 19.1218 -49.3245 8.60669 22.3455 21.8293 20.77 14.9322 TIMING: 1644000 CPU: 5135.4, 0.00313248/step Wall: 5135.4, 0.00313248/step, 2.92016 hours remaining, 234.050781 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: 1644000 4015.5924 20689.9394 14415.8585 243.4492 -203445.1190 2770.5812 0.0000 0.0000 52231.4033 -109078.2950 300.1746 -161309.6983 -108711.7993 299.5480 -80.4611 -53.1779 764299.4998 13.6581 13.4847 PRESSURE: 1644200 39.7504 20.3912 -20.7032 20.3915 21.1792 -48.592 -20.7031 -48.5914 -106.822 GPRESSURE: 1644200 87.3101 151.296 -8.32372 -22.0735 65.4412 -12.7536 23.7579 -112.574 -100.048 PRESSAVG: 1644200 -23.3182 -53.2235 -72.0434 -53.2236 -53.5792 -57.1856 -72.0434 -57.1856 -8.35192 GPRESSAVG: 1644200 -21.8183 -51.2317 -71.9206 -49.5427 -54.9646 -56.4403 -71.7224 -58.7681 -8.58238 TIMING: 1644200 CPU: 5136.03, 0.00314106/step Wall: 5136.03, 0.00314106/step, 2.92799 hours remaining, 234.050781 MB of memory in use. ENERGY: 1644200 3980.2149 20565.0663 14420.0447 252.9608 -203100.9036 2631.6819 0.0000 0.0000 52228.9602 -109021.9748 300.1606 -161250.9350 -108665.7386 299.8673 -15.2973 17.5678 763548.4291 -28.4164 -28.4551 LDB: ============= START OF LOAD BALANCING ============== 5148.51 LDB: ============== END OF LOAD BALANCING =============== 5148.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5148.51 LDB: ============= START OF LOAD BALANCING ============== 5148.82 LDB: Largest compute 6972 load 0.029552 is 15.1% of average load 0.195076 LDB: Average compute 0.004364 is 2.2% of average load 0.195076 LDB: TIME 5148.83 LOAD: AVG 0.195076 MAX 0.214703 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.082 MB LDB: TIME 5148.83 LOAD: AVG 0.195076 MAX 0.214703 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.18 MB LDB: TIME 5148.83 LOAD: AVG 0.195076 MAX 0.214703 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.18 MB LDB: ============== END OF LOAD BALANCING =============== 5148.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5148.84 PRESSURE: 1644400 -92.0286 146.483 -7.90402 146.482 -66.5513 80.4152 -7.90416 80.4151 -104.044 GPRESSURE: 1644400 -90.271 70.559 44.5217 169.627 -12.7554 103.11 -54.1118 98.4767 -81.3644 PRESSAVG: 1644400 18.1371 -27.2162 7.13315 -27.2162 13.1405 9.08604 7.13319 9.08598 -2.27214 GPRESSAVG: 1644400 17.9155 -31.0217 8.47058 -26.0711 13.5937 9.51053 6.8014 8.94154 -2.36154 TIMING: 1644400 CPU: 5136.67, 0.00322068/step Wall: 5136.67, 0.00322068/step, 3.00203 hours remaining, 233.656250 MB of memory in use. ENERGY: 1644400 3996.8566 20394.1984 14513.9105 241.1172 -203558.3447 2936.1017 0.0000 0.0000 52287.8832 -109188.2769 300.4992 -161476.1602 -108823.1831 299.4701 -87.5411 -61.4636 763537.6020 9.6685 9.7159 PRESSURE: 1644600 3.68677 -22.2104 3.95772 -22.2108 224.646 177.642 3.95789 177.642 89.5046 GPRESSURE: 1644600 -60.5884 70.1148 -113.39 -43.9012 365.035 167.809 -3.3272 113.497 83.4399 PRESSAVG: 1644600 -37.1613 -57.7278 -84.1584 -57.7278 12.5164 -24.7721 -84.1584 -24.7721 3.30724 GPRESSAVG: 1644600 -37.4691 -57.1014 -83.8241 -59.3185 12.3186 -26.8134 -85.4712 -24.5658 3.77277 TIMING: 1644600 CPU: 5137.3, 0.00314179/step Wall: 5137.3, 0.00314179/step, 2.92832 hours remaining, 233.656250 MB of memory in use. ENERGY: 1644600 3948.2264 20499.9046 14450.5451 251.1688 -203701.2687 3350.5282 0.0000 0.0000 52032.9699 -109167.9256 299.0342 -161200.8955 -108807.8201 299.2771 105.9458 129.2955 762907.0520 -7.1126 -7.1259 PRESSURE: 1644800 -74.2942 180.304 233.298 180.303 -49.3101 175.547 233.298 175.547 11.2116 GPRESSURE: 1644800 -28.3326 110.275 315.72 254.608 14.0727 140.236 113.111 238.947 -15.8298 PRESSAVG: 1644800 -72.7227 28.2721 -9.72854 28.2722 94.0347 -17.336 -9.72859 -17.336 -20.2773 GPRESSAVG: 1644800 -72.8759 30.6813 -10.9101 28.2706 95.0873 -16.627 -9.09489 -17.9978 -21.2844 TIMING: 1644800 CPU: 5137.93, 0.00313309/step Wall: 5137.93, 0.00313309/step, 2.92004 hours remaining, 233.656250 MB of memory in use. ENERGY: 1644800 3957.7935 20468.6249 14397.8027 238.2655 -203022.0313 2737.5941 0.0000 0.0000 52010.3746 -109211.5760 298.9043 -161221.9506 -108841.0264 299.3914 -37.4643 -10.0299 764238.4781 0.3449 0.3090 PRESSURE: 1645000 -824.951 -16.8204 -143.099 -16.8215 -177.617 25.3603 -143.099 25.3606 29.1742 GPRESSURE: 1645000 -832.744 -24.5333 -142.326 -43.3227 -122.337 44.5355 -98.0036 33.3725 70.7233 PRESSAVG: 1645000 -44.81 2.97923 -37.9682 2.97919 2.41568 4.48535 -37.9681 4.48534 -11.182 GPRESSAVG: 1645000 -44.815 3.22824 -38.122 2.4592 1.66611 5.03548 -37.4798 4.62441 -10.2156 TIMING: 1645000 CPU: 5138.55, 0.00314243/step Wall: 5138.55, 0.00314243/step, 2.92857 hours remaining, 233.656250 MB of memory in use. ENERGY: 1645000 4010.4739 20497.8035 14381.3050 239.5340 -203073.8226 2603.0810 0.0000 0.0000 52046.1437 -109295.4815 299.1099 -161341.6252 -108935.2015 299.4296 -324.4648 -294.7857 763921.7238 -17.8588 -17.7881 PRESSURE: 1645200 42.2084 -283.069 21.8909 -283.068 -16.0025 -189.517 21.8901 -189.518 -8.18647 GPRESSURE: 1645200 109.954 -293.863 62.2037 -183.329 6.78016 -142.026 103.824 -186.173 -19.0749 PRESSAVG: 1645200 -16.4557 26.7497 -30.527 26.7496 7.59418 -41.8483 -30.527 -41.8483 -3.86572 GPRESSAVG: 1645200 -16.7038 24.1967 -30.4671 27.7688 8.51517 -41.834 -28.6643 -41.8852 -4.67429 TIMING: 1645200 CPU: 5139.18, 0.00313256/step Wall: 5139.18, 0.00313256/step, 2.9192 hours remaining, 233.656250 MB of memory in use. ENERGY: 1645200 3938.1308 20264.8480 14477.0896 263.8283 -203198.8337 2735.9735 0.0000 0.0000 52250.4475 -109268.5160 300.2840 -161518.9635 -108900.0616 298.9502 6.0065 32.5531 762269.3942 -4.2424 -4.2876 PRESSURE: 1645400 -57.7116 130.953 -27.1728 130.953 230.228 32.5771 -27.1731 32.5765 -45.4165 GPRESSURE: 1645400 -24.8761 97.9013 -59.1043 44.7548 255.443 85.9924 15.0689 -8.00571 -18.6479 PRESSAVG: 1645400 -39.9992 -35.5363 60.7152 -35.5362 4.80909 1.81599 60.7153 1.81596 -20.0083 GPRESSAVG: 1645400 -39.4702 -33.4592 62.7489 -36.9347 3.3995 0.85603 59.7423 1.88711 -19.1662 TIMING: 1645400 CPU: 5139.81, 0.00312714/step Wall: 5139.81, 0.00312714/step, 2.91397 hours remaining, 233.656250 MB of memory in use. ENERGY: 1645400 4002.2297 20419.9248 14421.5673 249.5527 -203216.1430 2896.3308 0.0000 0.0000 51943.7173 -109282.8205 298.5213 -161226.5378 -108916.9468 298.7800 42.3666 70.6395 763610.0074 -18.3995 -18.4123 PRESSURE: 1645600 -401.226 -77.9847 41.8675 -77.9842 -274.816 -67.491 41.8678 -67.4908 146.11 GPRESSURE: 1645600 -376.94 -127.434 -20.7687 -106.526 -213.09 -18.4454 17.8602 -162.522 131.859 PRESSAVG: 1645600 -30.8139 -2.52424 42.9941 -2.52421 37.9842 -1.77858 42.9941 -1.77859 19.9616 GPRESSAVG: 1645600 -29.4281 -2.96569 42.988 -4.10395 36.9811 -1.46789 41.654 -1.57618 19.1431 TIMING: 1645600 CPU: 5140.43, 0.00312116/step Wall: 5140.43, 0.00312116/step, 2.90822 hours remaining, 233.656250 MB of memory in use. ENERGY: 1645600 3907.4258 20511.7022 14361.1976 245.7977 -203033.8101 2638.9981 0.0000 0.0000 52030.5268 -109338.1619 299.0202 -161368.6887 -108982.5329 298.5604 -176.6441 -152.7235 764410.2395 9.0440 8.8987 PRESSURE: 1645800 105.61 -122.704 20.7753 -122.705 78.4395 -282.112 20.7743 -282.111 -126.932 GPRESSURE: 1645800 80.5287 -122.269 15.9996 -85.4789 79.7723 -298.972 27.1923 -119.549 -19.8515 PRESSAVG: 1645800 15.4254 5.07004 12.3908 5.07004 -0.166141 -36.8393 12.3908 -36.8393 12.5261 GPRESSAVG: 1645800 14.8446 6.82923 11.1833 5.64335 -0.575225 -37.119 13.3163 -34.9846 13.2464 TIMING: 1645800 CPU: 5141.05, 0.00312608/step Wall: 5141.05, 0.00312608/step, 2.91264 hours remaining, 233.656250 MB of memory in use. ENERGY: 1645800 3983.5217 20371.2197 14449.5538 246.4085 -203120.7619 2711.8063 0.0000 0.0000 52002.6756 -109355.5763 298.8601 -161358.2520 -108984.9029 298.7026 19.0390 46.8165 764716.3489 9.2618 9.1719 PRESSURE: 1646000 -522.897 -102.981 80.3161 -102.981 -2.04743 32.9172 80.317 32.9173 -376.983 GPRESSURE: 1646000 -376.881 -22.0335 72.7148 -166.528 -76.3581 55.4618 -68.8976 54.2662 -352.457 PRESSAVG: 1646000 -12.9298 -39.0864 0.302258 -39.0864 -18.1149 -0.0597702 0.302388 -0.0597695 6.65035 GPRESSAVG: 1646000 -12.5587 -41.0798 1.16147 -37.2854 -17.5561 0.789522 0.192874 -3.45927 5.94784 TIMING: 1646000 CPU: 5141.68, 0.00314153/step Wall: 5141.68, 0.00314153/step, 2.92685 hours remaining, 233.656250 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: 1646000 3968.5510 20525.3402 14336.1082 273.7263 -203261.1504 2746.6385 0.0000 0.0000 51848.2664 -109562.5198 297.9727 -161410.7862 -109200.0667 298.5657 -300.6428 -268.5655 764473.1061 -8.1315 -8.0556 PRESSURE: 1646200 -291.903 -76.0416 64.9131 -76.0422 97.6332 -40.3191 64.9135 -40.3184 183.518 GPRESSURE: 1646200 -252.697 -89.0345 44.0293 -92.3986 122.956 -71.8517 38.1684 2.86135 200.987 PRESSAVG: 1646200 10.6852 14.9856 -62.3093 14.9855 -13.5162 23.7411 -62.3094 23.7411 -1.64903 GPRESSAVG: 1646200 10.7727 15.6278 -63.1635 13.4871 -13.6496 22.156 -62.6103 25.9099 -1.08485 TIMING: 1646200 CPU: 5142.31, 0.00313577/step Wall: 5142.31, 0.00313577/step, 2.92131 hours remaining, 233.656250 MB of memory in use. ENERGY: 1646200 3986.6337 20284.2052 14443.7523 235.4511 -203123.3275 2776.6684 0.0000 0.0000 52080.4332 -109316.1836 299.3070 -161396.6168 -108950.1116 298.6030 -3.5837 23.7489 764038.8879 -1.4934 -1.3206 PRESSURE: 1646400 -438.366 -189.855 122.635 -189.856 150.643 20.9434 122.636 20.9437 394.892 GPRESSURE: 1646400 -461.291 -81.2141 94.5372 -97.6885 223.704 72.6972 205.048 -11.9265 422.859 PRESSAVG: 1646400 -33.1574 -7.28001 17.0719 -7.28001 2.1004 -32.9068 17.072 -32.9068 -11.9075 GPRESSAVG: 1646400 -34.281 -6.66113 18.7334 -8.47188 3.93361 -32.5202 17.3017 -34.3084 -11.944 TIMING: 1646400 CPU: 5142.94, 0.00314484/step Wall: 5142.94, 0.00314484/step, 2.9296 hours remaining, 233.656250 MB of memory in use. ENERGY: 1646400 3923.3336 20483.3198 14416.1539 265.2249 -203423.8768 2827.2302 0.0000 0.0000 51831.0551 -109677.5593 297.8738 -161508.6144 -109315.8932 298.6094 35.7230 61.7576 764902.2357 -14.3215 -14.0971 PRESSURE: 1646600 142.844 26.1074 60.1909 26.1061 -201.744 199.407 60.1906 199.407 -3.08734 GPRESSURE: 1646600 52.5502 84.1781 103.851 32.8882 -176.154 179.706 99.4174 252.322 123.859 PRESSAVG: 1646600 -50.2905 -10.1936 -28.6809 -10.1937 41.5521 42.2286 -28.6809 42.2286 5.45988 GPRESSAVG: 1646600 -50.4086 -12.7982 -31.4979 -9.53845 39.889 42.588 -28.7844 44.209 7.1909 TIMING: 1646600 CPU: 5143.57, 0.00313079/step Wall: 5143.57, 0.00313079/step, 2.91633 hours remaining, 233.656250 MB of memory in use. ENERGY: 1646600 3911.1436 20593.3286 14441.3803 254.6572 -203197.9894 2552.5678 0.0000 0.0000 51768.7301 -109676.1818 297.5156 -161444.9119 -109316.4182 298.7096 -20.6625 0.0851 762826.7937 -1.0929 -1.1096 PRESSURE: 1646800 -311.461 -283.654 -193.709 -283.653 30.6141 -3.78539 -193.709 -3.78527 79.2807 GPRESSURE: 1646800 -265.91 -278.784 -168.457 -132.666 84.15 -21.0914 -223.124 -53.5814 53.9202 PRESSAVG: 1646800 -7.43689 -25.5327 -33.4137 -25.5326 21.426 -34.076 -33.4137 -34.0761 2.56259 GPRESSAVG: 1646800 -6.89278 -24.2653 -32.0842 -25.287 22.4928 -33.9228 -33.545 -33.21 0.80974 TIMING: 1646800 CPU: 5144.19, 0.00314108/step Wall: 5144.19, 0.00314108/step, 2.92574 hours remaining, 233.656250 MB of memory in use. ENERGY: 1646800 4056.9779 20516.5558 14459.1145 248.2676 -203655.6610 2984.4479 0.0000 0.0000 51734.9585 -109655.3388 297.3215 -161390.2974 -109305.3058 297.9678 -67.1888 -42.6133 763016.2373 5.5172 5.4699 PRESSURE: 1647000 -179.756 -181.919 -26.4405 -181.919 -249.159 85.0746 -26.4407 85.0738 -504.052 GPRESSURE: 1647000 -196.383 -222.82 -12.4146 -201.316 -163.905 179.472 -0.281879 -8.52907 -488.836 PRESSAVG: 1647000 -37.1944 -29.2162 -11.6896 -29.2162 73.1489 7.46566 -11.6896 7.46567 21.4512 GPRESSAVG: 1647000 -37.0269 -30.4793 -10.156 -28.8936 73.3946 8.17707 -11.7557 4.54734 21.3265 TIMING: 1647000 CPU: 5144.82, 0.00314474/step Wall: 5144.82, 0.00314474/step, 2.92897 hours remaining, 233.656250 MB of memory in use. ENERGY: 1647000 4031.9395 20614.4265 14480.2734 244.3001 -203571.9296 2673.9659 0.0000 0.0000 51877.0379 -109649.9863 298.1380 -161527.0242 -109299.8704 298.1200 -310.9890 -283.0413 763700.9655 19.1352 19.2314 PRESSURE: 1647200 33.2773 60.9254 178.252 60.9266 -78.1429 -263.477 178.252 -263.477 -166.442 GPRESSURE: 1647200 137.809 -37.6562 25.9855 95.8776 -75.965 -235.035 42.8507 -237.282 -173.413 PRESSAVG: 1647200 9.13599 -17.9722 -30.5735 -17.9722 -1.90256 -9.48106 -30.5734 -9.48102 -6.52991 GPRESSAVG: 1647200 9.85347 -16.0352 -31.9647 -15.6351 -3.36852 -11.1364 -31.1091 -7.92974 -5.34674 TIMING: 1647200 CPU: 5145.45, 0.00315381/step Wall: 5145.45, 0.00315381/step, 2.93724 hours remaining, 233.656250 MB of memory in use. ENERGY: 1647200 4011.2038 20447.2050 14337.5195 250.4136 -203491.8935 2874.1599 0.0000 0.0000 52357.3506 -109214.0411 300.8984 -161571.3917 -108854.7164 299.0697 -70.4359 -37.1895 763463.1145 0.2345 0.3794 PRESSURE: 1647400 -114.952 -239.175 -251.2 -239.176 -509.105 -230.353 -251.2 -230.352 93.538 GPRESSURE: 1647400 -47.8841 -124.456 -238.795 -276.251 -342.671 -205.467 -268.436 -185.614 -37.5172 PRESSAVG: 1647400 -26.7631 7.75259 -28.081 7.75257 9.38137 -20.5937 -28.081 -20.5937 -3.75909 GPRESSAVG: 1647400 -26.6143 7.5532 -28.1284 4.11004 10.9882 -18.3718 -26.5966 -19.7453 -5.25257 TIMING: 1647400 CPU: 5146.08, 0.00313599/step Wall: 5146.08, 0.00313599/step, 2.92048 hours remaining, 233.656250 MB of memory in use. ENERGY: 1647400 3984.5991 20630.9502 14381.7543 247.6854 -203008.5615 2608.9300 0.0000 0.0000 52120.5157 -109034.1268 299.5373 -161154.6425 -108680.1657 299.4179 -176.8400 -142.6908 763418.8408 -7.0469 -6.9596 PRESSURE: 1647600 43.2251 113.21 38.6477 113.21 479.984 8.05081 38.6479 8.04958 130.093 GPRESSURE: 1647600 48.4375 69.5471 -13.1825 72.2412 555.923 41.8865 94.5506 -19.3603 152.8 PRESSAVG: 1647600 -80.5129 59.8811 11.7973 59.8812 48.0258 -15.8148 11.7972 -15.8148 -7.7826 GPRESSAVG: 1647600 -80.9659 58.7116 13.3025 61.4868 48.8308 -17.4877 9.62386 -15.4803 -7.85086 TIMING: 1647600 CPU: 5146.71, 0.00313193/step Wall: 5146.71, 0.00313193/step, 2.91652 hours remaining, 233.656250 MB of memory in use. ENERGY: 1647600 3962.9708 20476.4856 14396.3853 261.0734 -203182.1472 2792.8980 0.0000 0.0000 52116.5591 -109175.7751 299.5146 -161292.3341 -108808.9020 299.5648 217.7674 252.3867 762350.6696 -13.4232 -13.3286 PRESSURE: 1647800 -30.2351 172.019 176.249 172.018 -122.351 -87.9073 176.25 -87.9081 179.137 GPRESSURE: 1647800 -1.65646 152.64 124.888 189.084 -94.3933 -106.527 224.77 36.3234 201.376 PRESSAVG: 1647800 -16.2232 4.02972 9.6788 4.02972 36.2627 -37.3074 9.67883 -37.3074 0.926063 GPRESSAVG: 1647800 -16.3737 4.43896 9.87517 4.30332 35.5583 -35.405 10.7776 -39.6443 1.22144 TIMING: 1647800 CPU: 5147.34, 0.00315045/step Wall: 5147.34, 0.00315045/step, 2.93359 hours remaining, 233.656250 MB of memory in use. ENERGY: 1647800 4012.1623 20732.1870 14380.1240 243.4733 -203667.9277 3071.3932 0.0000 0.0000 51998.6534 -109229.9346 298.8370 -161228.5879 -108869.5717 299.4580 8.8504 35.1088 763293.3447 6.9885 6.8020 PRESSURE: 1648000 110.98 12.2129 -88.1695 12.2127 29.6029 -296.037 -88.1704 -296.036 104.81 GPRESSURE: 1648000 169.908 33.8847 -22.9271 132.469 65.0026 -304.867 -35.4914 -281.578 103.843 PRESSAVG: 1648000 46.3021 55.8255 18.0061 55.8255 -11.675 -52.2098 18.0061 -52.2098 13.396 GPRESSAVG: 1648000 47.8696 57.3944 16.0865 56.191 -12.7461 -53.2398 20.4038 -50.3451 12.7854 TIMING: 1648000 CPU: 5147.96, 0.00312673/step Wall: 5147.96, 0.00312673/step, 2.91133 hours remaining, 233.656250 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: 1648000 4040.7579 20646.7332 14501.6240 245.6237 -203063.8497 2560.7301 0.0000 0.0000 51887.9729 -109180.4078 298.2009 -161068.3806 -108830.3159 299.0621 81.7977 112.9180 762917.0030 16.0077 15.9696 PRESSURE: 1648200 -33.6486 -0.962561 -109.266 -0.96193 216.469 116.683 -109.265 116.684 145.736 GPRESSURE: 1648200 -17.8472 -1.42505 -104.042 44.1323 241.617 133.618 -32.8322 58.8828 177.691 PRESSAVG: 1648200 -28.1657 52.1334 8.41605 52.1334 27.5283 -18.1105 8.41609 -18.1105 -36.2019 GPRESSAVG: 1648200 -30.4924 50.9131 9.91724 51.826 28.3804 -17.6864 7.48715 -18.344 -34.9636 TIMING: 1648200 CPU: 5148.59, 0.00313224/step Wall: 5148.59, 0.00313224/step, 2.91629 hours remaining, 233.656250 MB of memory in use. ENERGY: 1648200 3923.6617 20409.8840 14466.3294 242.5934 -203258.0939 2716.5469 0.0000 0.0000 52066.3517 -109432.7268 299.2260 -161499.0785 -109064.9625 299.2379 109.5189 133.8203 763160.7848 -12.2797 -12.3585 LDB: ============= START OF LOAD BALANCING ============== 5161.07 LDB: ============== END OF LOAD BALANCING =============== 5161.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5161.07 LDB: ============= START OF LOAD BALANCING ============== 5161.38 LDB: Largest compute 6988 load 0.030532 is 15.7% of average load 0.195004 LDB: Average compute 0.004400 is 2.3% of average load 0.195004 LDB: TIME 5161.39 LOAD: AVG 0.195004 MAX 0.213636 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.141 MB LDB: TIME 5161.39 LOAD: AVG 0.195004 MAX 0.213636 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.141 MB LDB: TIME 5161.39 LOAD: AVG 0.195004 MAX 0.213636 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.141 MB LDB: ============== END OF LOAD BALANCING =============== 5161.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5161.4 PRESSURE: 1648400 -89.7281 308.447 -93.3685 308.447 214.809 -23.9551 -93.3684 -23.9543 -1.09592 GPRESSURE: 1648400 30.3058 211.431 -93.8935 340.828 147.272 -80.8551 -80.4112 86.3825 14.4881 PRESSAVG: 1648400 -38.0705 7.56346 -30.2742 7.56347 40.0105 29.8939 -30.2743 29.8939 -10.5427 GPRESSAVG: 1648400 -37.2827 8.55121 -30.4752 7.52819 38.8868 28.1673 -30.3901 31.7438 -10.5554 TIMING: 1648400 CPU: 5149.23, 0.00320244/step Wall: 5149.23, 0.00320244/step, 2.98147 hours remaining, 235.535156 MB of memory in use. ENERGY: 1648400 3928.9193 20705.4032 14378.3167 241.5455 -203637.7066 2996.2951 0.0000 0.0000 51919.1500 -109468.0769 298.3801 -161387.2269 -109110.2574 298.6032 41.3282 64.0221 762521.0723 -2.8675 -2.9838 PRESSURE: 1648600 -119.54 -190.712 156.748 -190.712 -205.449 -193.079 156.748 -193.08 -321.283 GPRESSURE: 1648600 -161.14 -207.269 218.976 -171.083 -122.913 -195.913 165.46 -106.641 -251.572 PRESSAVG: 1648600 -12.912 -19.901 -38.1107 -19.901 -31.3741 -19.7123 -38.1107 -19.7123 10.2484 GPRESSAVG: 1648600 -13.2606 -21.0947 -38.508 -18.3847 -30.2891 -20.6724 -37.3546 -18.7688 9.8542 TIMING: 1648600 CPU: 5149.85, 0.00312582/step Wall: 5149.85, 0.00312583/step, 2.90997 hours remaining, 235.535156 MB of memory in use. ENERGY: 1648600 3972.2386 20540.5863 14463.9251 256.1030 -203274.4595 2671.7366 0.0000 0.0000 52085.7900 -109284.0799 299.3378 -161369.8699 -108922.3754 299.1051 -215.4242 -178.5417 762289.6344 -11.3459 -11.2318 PRESSURE: 1648800 -358.381 98.873 -203.828 98.8723 -352.663 133.695 -203.829 133.695 5.84937 GPRESSURE: 1648800 -347.653 102.166 -277.369 21.5675 -268.45 157.292 -176.02 134.715 -11.975 PRESSAVG: 1648800 -0.960191 -13.4363 -60.5773 -13.4362 -37.4675 -43.3085 -60.5773 -43.3084 -21.94 GPRESSAVG: 1648800 -2.54357 -13.4046 -61.045 -16.881 -36.8049 -41.051 -60.8647 -47.0406 -21.4388 TIMING: 1648800 CPU: 5150.48, 0.00312062/step Wall: 5150.48, 0.00312062/step, 2.90495 hours remaining, 235.535156 MB of memory in use. ENERGY: 1648800 3897.7442 20598.5498 14466.5419 242.9698 -203202.9870 2499.0840 0.0000 0.0000 52026.3527 -109471.7446 298.9962 -161498.0973 -109097.8209 298.9958 -235.0649 -209.3596 763210.5546 -20.1226 -20.2624 PRESSURE: 1649000 -19.9056 -94.3881 27.0822 -94.3885 49.658 -106.459 27.0826 -106.46 83.2612 GPRESSURE: 1649000 -16.83 -60.0815 8.77687 -214.668 110.354 -59.3416 43.2982 -169.442 116.441 PRESSAVG: 1649000 3.70657 -32.5782 27.5672 -32.5783 -2.22528 -32.5351 27.5671 -32.5351 -0.967567 GPRESSAVG: 1649000 5.63804 -32.2259 28.7436 -29.2056 -4.35757 -34.2118 26.4238 -29.9257 -0.958983 TIMING: 1649000 CPU: 5151.1, 0.0031239/step Wall: 5151.1, 0.0031239/step, 2.90783 hours remaining, 235.535156 MB of memory in use. ENERGY: 1649000 4059.2734 20671.6087 14411.7779 237.2787 -203960.4698 3118.0192 0.0000 0.0000 52098.7048 -109363.8071 299.4120 -161462.5119 -109004.5361 298.6930 37.6712 69.9883 761161.2773 0.1712 0.1072 PRESSURE: 1649200 -126.902 32.1524 -173.612 32.1522 -30.3841 83.254 -173.612 83.2542 -346.595 GPRESSURE: 1649200 -147.434 10.4238 -127.301 -20.5379 -12.4579 58.5607 -157.56 148.64 -247.874 PRESSAVG: 1649200 12.4985 -12.1431 -49.1032 -12.1432 27.4704 16.214 -49.1031 16.214 -4.47703 GPRESSAVG: 1649200 12.8699 -14.3381 -49.8706 -14.3178 27.6391 16.5087 -47.4644 15.3458 -5.1161 TIMING: 1649200 CPU: 5151.73, 0.00314904/step Wall: 5151.73, 0.00314904/step, 2.93106 hours remaining, 235.535156 MB of memory in use. ENERGY: 1649200 4032.1279 20642.7619 14428.5220 247.6049 -203540.5730 2728.8980 0.0000 0.0000 51995.0206 -109465.6377 298.8161 -161460.6583 -109104.8112 299.3360 -167.9603 -135.9220 761136.3705 11.8306 11.7976 PRESSURE: 1649400 107.142 182.424 -166.021 182.425 370.472 63.3894 -166.022 63.3895 8.29653 GPRESSURE: 1649400 192.252 205.192 -289.239 146.474 312.701 14.6692 -185.619 188.62 48.3913 PRESSAVG: 1649400 -33.4263 -28.8413 -18.7141 -28.8413 49.9349 -4.21408 -18.7141 -4.21402 -11.9758 GPRESSAVG: 1649400 -33.8294 -24.9929 -18.8963 -30.335 49.8489 -3.93642 -18.4638 -3.23224 -11.9699 TIMING: 1649400 CPU: 5152.36, 0.00315332/step Wall: 5152.36, 0.00315332/step, 2.93487 hours remaining, 235.535156 MB of memory in use. ENERGY: 1649400 3948.2723 20607.9672 14402.8668 237.9762 -203654.1096 3169.2392 0.0000 0.0000 51997.0186 -109290.7693 298.8276 -161287.7879 -108927.6366 299.5690 161.9702 184.4481 761159.9487 1.5109 1.3499 PRESSURE: 1649600 -37.3354 66.5848 -166.045 66.5849 -234.044 -266.916 -166.045 -266.915 -327.25 GPRESSURE: 1649600 -89.9934 54.2096 -194.65 92.3023 -88.6266 -177.089 -131.715 -126.846 -355.754 PRESSAVG: 1649600 -9.21128 9.2903 -40.0495 9.29036 8.86908 29.3186 -40.0495 29.3185 5.49276 GPRESSAVG: 1649600 -10.1781 7.57881 -38.1582 12.3288 9.89914 29.9165 -42.3283 28.8226 5.40101 TIMING: 1649600 CPU: 5152.99, 0.00314246/step Wall: 5152.99, 0.00314246/step, 2.92459 hours remaining, 235.535156 MB of memory in use. ENERGY: 1649600 3937.1811 20605.7438 14377.2898 239.8274 -203258.2120 2749.1626 0.0000 0.0000 51977.6223 -109371.3849 298.7161 -161349.0072 -109008.6335 299.1322 -199.5431 -178.1246 762951.7123 1.7169 1.7073 PRESSURE: 1649800 150.194 -89.6329 93.3415 -89.6333 13.9312 63.8214 93.342 63.8211 131.798 GPRESSURE: 1649800 199.622 47.0646 50.4524 8.27591 92.316 65.3098 159.264 36.3107 88.0481 PRESSAVG: 1649800 -46.7866 -36.4151 -21.4647 -36.4152 40.1488 7.62158 -21.4646 7.62152 -18.4105 GPRESSAVG: 1649800 -45.4706 -35.8844 -23.3522 -35.5982 39.4758 6.89581 -18.9991 7.76197 -19.2014 TIMING: 1649800 CPU: 5153.61, 0.00310885/step Wall: 5153.61, 0.00310885/step, 2.89313 hours remaining, 235.535156 MB of memory in use. ENERGY: 1649800 3967.7174 20484.7257 14499.3742 241.4100 -203038.6380 2525.9607 0.0000 0.0000 51790.0537 -109529.3964 297.6382 -161319.4501 -109161.6780 298.6460 98.6411 126.6620 762575.5674 -8.3495 -8.3987 PRESSURE: 1650000 16.3236 139.581 83.5544 139.581 -183.847 -11.7563 83.5545 -11.7567 50.0733 GPRESSURE: 1650000 100.648 168.182 80.1615 92.2268 -104.445 2.99049 111.218 8.629 -20.5909 PRESSAVG: 1650000 6.59807 -54.5281 13.4881 -54.5281 -5.61313 11.2962 13.488 11.2962 -13.4536 GPRESSAVG: 1650000 7.15051 -53.6957 13.9914 -58.6018 -5.30448 10.5262 12.0644 12.1195 -13.5159 TIMING: 1650000 CPU: 5154.24, 0.00312577/step Wall: 5154.24, 0.00312577/step, 2.9087 hours remaining, 235.535156 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: 1650000 3930.3655 20518.8662 14391.3315 251.7505 -202987.8390 2731.8769 0.0000 0.0000 51853.6566 -109309.9919 298.0037 -161163.6485 -108955.9482 298.4239 -39.1500 -8.1291 763603.7652 -4.1562 -3.8900 PRESSURE: 1650200 -397.874 -56.3526 172.994 -56.3529 -512.436 -22.5943 172.994 -22.5937 -338.026 GPRESSURE: 1650200 -407.72 -173.574 74.5918 -91.4016 -507.851 -2.95559 289.477 109.481 -237.593 PRESSAVG: 1650200 9.57683 -33.8391 -24.4701 -33.8391 -7.96968 -15.8024 -24.4701 -15.8026 22.2714 GPRESSAVG: 1650200 8.78184 -36.1161 -26.4908 -31.4224 -8.27329 -14.172 -23.6099 -16.2219 23.2211 TIMING: 1650200 CPU: 5154.87, 0.00314054/step Wall: 5154.87, 0.00314054/step, 2.92227 hours remaining, 235.535156 MB of memory in use. ENERGY: 1650200 4053.9218 20653.2153 14441.8075 235.4269 -203210.4515 2516.4421 0.0000 0.0000 51849.8316 -109459.8063 297.9817 -161309.6378 -109100.8474 298.6737 -416.1119 -384.3879 764056.0903 7.9595 7.9099 PRESSURE: 1650400 33.2786 271.058 -94.0808 271.059 -382.401 9.51872 -94.0819 9.51929 45.8153 GPRESSURE: 1650400 43.171 256.686 -119.09 190.882 -288.713 37.8247 -21.8242 -41.9266 33.2235 PRESSAVG: 1650400 55.732 -58.5027 9.35289 -58.5027 -14.7113 16.36 9.35284 16.36 -15.4761 GPRESSAVG: 1650400 55.6084 -60.1233 12.0477 -57.805 -15.1121 14.3616 8.06193 19.3506 -14.9928 TIMING: 1650400 CPU: 5155.49, 0.00312273/step Wall: 5155.49, 0.00312273/step, 2.90552 hours remaining, 235.535156 MB of memory in use. ENERGY: 1650400 3979.5031 20433.5160 14405.8465 257.9733 -203453.1459 2860.3234 0.0000 0.0000 52046.6433 -109469.3403 299.1128 -161515.9836 -109097.1383 298.5915 -101.1024 -70.7727 762367.0786 8.5148 8.5011 PRESSURE: 1650600 370.325 -112.847 -98.7039 -112.847 87.1524 90.1997 -98.7048 90.1995 0.446468 GPRESSURE: 1650600 300.369 -177.44 -76.0677 -114.306 233.73 152.121 -19.0363 98.3391 -8.58964 PRESSAVG: 1650600 17.5742 32.0696 -17.2048 32.0696 35.4278 59.5102 -17.2048 59.5103 12.1888 GPRESSAVG: 1650600 17.9587 33.7642 -18.0912 32.2748 35.6829 61.1455 -17.2483 56.8123 11.6085 TIMING: 1650600 CPU: 5156.12, 0.00313634/step Wall: 5156.12, 0.00313634/step, 2.91802 hours remaining, 235.535156 MB of memory in use. ENERGY: 1650600 4005.7281 20515.3218 14401.4011 255.4621 -203379.1687 2867.8318 0.0000 0.0000 52225.3807 -109108.0431 300.1400 -161333.4239 -108740.5606 299.2193 152.6414 175.1700 762008.4717 21.7303 21.7500 PRESSURE: 1650800 -224.952 -37.2401 -119.407 -37.2399 -110.057 218.478 -119.407 218.478 -271.061 GPRESSURE: 1650800 -217.793 -27.4123 -155.29 -225.58 -73.9615 180.321 -41.0417 230.144 -217.942 PRESSAVG: 1650800 35.3229 36.7728 -34.548 36.7727 -9.0713 54.96 -34.5481 54.9601 16.536 GPRESSAVG: 1650800 34.9543 37.4181 -34.1285 36.3782 -7.78227 55.0498 -33.99 54.41 16.0491 TIMING: 1650800 CPU: 5156.75, 0.00313332/step Wall: 5156.75, 0.00313332/step, 2.91503 hours remaining, 235.535156 MB of memory in use. ENERGY: 1650800 4078.5215 20657.5385 14435.2906 262.9194 -203086.4504 2578.6167 0.0000 0.0000 52170.2167 -108903.3471 299.8230 -161073.5637 -108535.5997 299.8937 -202.0231 -169.8988 763130.8846 14.2625 14.4070 PRESSURE: 1651000 -209.96 -170.778 -27.1117 -170.777 -39.419 -48.8197 -27.112 -48.8204 -97.7697 GPRESSURE: 1651000 -107.38 -188.26 -27.2548 -43.5656 22.4256 -61.131 -13.2852 -12.6162 -184.106 PRESSAVG: 1651000 -49.8021 -50.2524 -11.4908 -50.2524 -5.23151 17.6428 -11.4909 17.6428 2.14986 GPRESSAVG: 1651000 -50.0759 -50.9637 -11.6255 -50.0475 -4.72627 17.5592 -12.7319 18.1845 1.3485 TIMING: 1651000 CPU: 5157.37, 0.00313248/step Wall: 5157.37, 0.00313248/step, 2.91408 hours remaining, 235.535156 MB of memory in use. ENERGY: 1651000 4026.8054 20534.1902 14435.5484 237.2142 -203147.6735 2646.5836 0.0000 0.0000 52279.2190 -108988.1127 300.4494 -161267.3317 -108618.5740 300.1676 -115.7161 -89.6868 763921.2908 -17.6279 -17.8179 PRESSURE: 1651200 -280.39 -68.6673 124.252 -68.6672 -281.947 -41.7847 124.252 -41.7841 86.4425 GPRESSURE: 1651200 -174.883 -112.758 237.865 -156.391 -248.557 -149.533 1.14266 6.57984 20.6644 PRESSAVG: 1651200 -1.16994 -38.9686 7.87986 -38.9686 -42.9297 12.741 7.87989 12.741 -13.4083 GPRESSAVG: 1651200 0.0881453 -39.0317 8.74313 -38.5032 -44.3003 13.3133 8.17111 14.6698 -13.1919 TIMING: 1651200 CPU: 5158, 0.00312807/step Wall: 5158, 0.00312807/step, 2.9098 hours remaining, 235.535156 MB of memory in use. ENERGY: 1651200 3999.9202 20559.8070 14423.3435 256.2452 -203286.3180 2896.2811 0.0000 0.0000 52170.5158 -108980.2054 299.8247 -161150.7212 -108612.9972 299.8172 -158.6314 -134.2584 763775.7830 -19.1693 -19.1347 PRESSURE: 1651400 -130.352 -25.5036 233.818 -25.5033 57.7437 174.983 233.818 174.984 26.1373 GPRESSURE: 1651400 -90.8354 69.1685 287.88 -125.589 78.0147 123.683 111.01 173.749 57.8387 PRESSAVG: 1651400 -13.5179 -9.68173 37.8976 -9.68177 75.5968 7.58491 37.8975 7.58489 -25.6377 GPRESSAVG: 1651400 -13.8745 -8.554 36.3397 -9.83452 75.0464 5.48564 40.3234 5.94732 -25.5311 TIMING: 1651400 CPU: 5158.62, 0.0031214/step Wall: 5158.62, 0.0031214/step, 2.90342 hours remaining, 235.535156 MB of memory in use. ENERGY: 1651400 3978.8520 20461.2209 14461.0110 244.9052 -203494.6037 3138.9508 0.0000 0.0000 51989.0490 -109220.6150 298.7818 -161209.6639 -108850.4668 299.4696 -15.4903 15.0060 763303.2690 12.1471 11.8803 PRESSURE: 1651600 -148.185 -137.059 -10.3926 -137.058 -107.592 -88.8614 -10.3919 -88.8624 29.824 GPRESSURE: 1651600 -57.4931 -64.9203 48.5748 -246.312 -79.9465 -1.45555 -117.102 -76.1886 8.34978 PRESSAVG: 1651600 -47.4379 3.08392 23.0986 3.08398 11.0177 14.9954 23.0986 14.9953 -8.34125 GPRESSAVG: 1651600 -47.9345 2.66044 22.3937 3.79142 11.1825 18.7932 21.6085 15.527 -8.12938 TIMING: 1651600 CPU: 5159.25, 0.00313004/step Wall: 5159.25, 0.00313004/step, 2.91129 hours remaining, 235.535156 MB of memory in use. ENERGY: 1651600 3989.1778 20595.8628 14373.4598 229.1005 -202872.8643 2763.2775 0.0000 0.0000 51773.5590 -109148.4269 297.5434 -160921.9860 -108797.4767 299.3326 -75.3178 -43.0300 764911.9097 -14.9205 -14.9605 PRESSURE: 1651800 250.906 -30.7463 -2.34563 -30.7452 -1.10176 -50.4118 -2.34464 -50.4111 69.8908 GPRESSURE: 1651800 240.667 -39.2347 66.0348 20.5156 49.1642 11.2428 126.339 -70.1393 117.697 PRESSAVG: 1651800 -16.546 13.776 -8.07971 13.776 28.7161 86.4302 -8.07971 86.4302 15.1686 GPRESSAVG: 1651800 -16.5204 14.5978 -6.87389 12.5044 28.6457 82.6689 -8.57891 86.6955 15.4858 TIMING: 1651800 CPU: 5159.88, 0.00314448/step Wall: 5159.88, 0.00314448/step, 2.92454 hours remaining, 235.535156 MB of memory in use. ENERGY: 1651800 4024.7350 20385.6219 14368.5574 232.7832 -202808.9802 2778.7871 0.0000 0.0000 51956.7416 -109061.7540 298.5961 -161018.4956 -108708.0107 298.9804 106.5649 135.8428 765574.3613 9.1129 9.2037 PRESSURE: 1652000 57.5343 24.6947 23.3322 24.695 366.88 120.073 23.3324 120.072 -51.0678 GPRESSURE: 1652000 120.903 -17.1183 50.7681 40.1829 320.952 137.146 17.6407 131.04 15.1475 PRESSAVG: 1652000 -19.7984 -17.0413 5.89559 -17.0413 48.6734 46.4619 5.89561 46.462 -17.5164 GPRESSAVG: 1652000 -19.5012 -18.6518 4.9975 -15.3359 49.1638 48.1071 5.92054 46.0757 -18.2368 TIMING: 1652000 CPU: 5160.51, 0.00314161/step Wall: 5160.51, 0.00314161/step, 2.9217 hours remaining, 235.535156 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: 1652000 3942.3873 20394.0862 14414.1342 234.6920 -203071.4706 2729.2813 0.0000 0.0000 52068.7405 -109288.1491 299.2398 -161356.8896 -108919.0000 299.0937 124.4487 152.3342 765469.5075 3.7862 3.8086 PRESSURE: 1652200 -225.519 -34.3735 55.3305 -34.3732 122.763 -190.332 55.3299 -190.332 -137.268 GPRESSURE: 1652200 -232.967 -40.3603 -26.1368 -47.1309 111.507 -185.082 12.369 -176.318 -42.7918 PRESSAVG: 1652200 -19.9717 -44.6578 47.5265 -44.6578 -7.31015 28.4669 47.5264 28.4668 -9.65436 GPRESSAVG: 1652200 -21.0597 -42.7597 47.2454 -45.4239 -8.2248 26.9804 45.0899 30.5092 -8.2767 TIMING: 1652200 CPU: 5161.13, 0.00313591/step Wall: 5161.13, 0.00313591/step, 2.91622 hours remaining, 235.535156 MB of memory in use. ENERGY: 1652200 3893.8725 20420.9506 14447.7145 235.6283 -203318.4246 3117.6416 0.0000 0.0000 51915.8343 -109286.7827 298.3610 -161202.6171 -108915.3160 299.0004 -80.0079 -54.7508 764526.2804 -12.3121 -12.5204 LDB: ============= START OF LOAD BALANCING ============== 5173.61 LDB: ============== END OF LOAD BALANCING =============== 5173.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5173.62 LDB: ============= START OF LOAD BALANCING ============== 5173.93 LDB: Largest compute 6988 load 0.029582 is 15.2% of average load 0.194987 LDB: Average compute 0.004379 is 2.2% of average load 0.194987 LDB: TIME 5173.93 LOAD: AVG 0.194987 MAX 0.213057 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.379 MB LDB: TIME 5173.93 LOAD: AVG 0.194987 MAX 0.213057 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.379 MB LDB: TIME 5173.93 LOAD: AVG 0.194987 MAX 0.213057 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.379 MB LDB: ============== END OF LOAD BALANCING =============== 5173.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5173.94 PRESSURE: 1652400 -155.232 70.4715 64.0664 70.4721 298.36 17.1301 64.0666 17.1306 75.5183 GPRESSURE: 1652400 -98.2781 8.38693 -1.63872 41.4478 355.075 45.8016 0.0250348 111.252 42.3802 PRESSAVG: 1652400 -14.7402 17.9576 1.79904 17.9577 -0.972327 19.8665 1.79908 19.8666 20.1155 GPRESSAVG: 1652400 -12.7121 16.1306 2.70997 15.697 -0.823754 22.3017 2.50251 18.0324 18.9981 TIMING: 1652400 CPU: 5161.78, 0.00321194/step Wall: 5161.78, 0.00321194/step, 2.98674 hours remaining, 233.230469 MB of memory in use. ENERGY: 1652400 4033.4649 20523.8829 14470.0063 231.0494 -203004.6161 2790.2880 0.0000 0.0000 51787.5991 -109168.3256 297.6240 -160955.9246 -108811.5811 298.7976 72.8822 99.7256 763514.2798 1.4677 1.8207 PRESSURE: 1652600 -200.349 -32.8653 70.6516 -32.8654 -259.858 73.6974 70.6513 73.6967 -101.539 GPRESSURE: 1652600 -207.764 -41.5725 78.4083 -20.1405 -232.132 33.6689 -80.075 -130.459 -33.19 PRESSAVG: 1652600 28.8135 -23.8016 3.23736 -23.8016 7.30382 21.6238 3.23736 21.6238 -11.7802 GPRESSAVG: 1652600 27.8637 -24.404 2.56282 -21.4232 6.73025 20.701 3.03696 19.6434 -10.5352 TIMING: 1652600 CPU: 5162.4, 0.0031461/step Wall: 5162.4, 0.0031461/step, 2.92535 hours remaining, 233.230469 MB of memory in use. ENERGY: 1652600 4030.9410 20623.2072 14423.4754 265.1263 -203106.0264 2678.1465 0.0000 0.0000 51909.7867 -109175.3433 298.3263 -161085.1300 -108811.2497 298.9910 -187.2488 -157.6956 763008.6373 8.1124 8.0196 PRESSURE: 1652800 117.054 23.0655 -188.544 23.066 -7.46496 26.4587 -188.543 26.4583 -380.52 GPRESSURE: 1652800 149.59 93.428 -179.244 75.3002 -14.8063 103.703 -126.03 35.9552 -316.722 PRESSAVG: 1652800 7.86752 27.4279 25.2915 27.4279 18.7573 12.1367 25.2914 12.1368 -7.96459 GPRESSAVG: 1652800 7.86322 28.8705 26.6465 26.2623 18.7851 12.4843 26.2152 13.4268 -7.69072 TIMING: 1652800 CPU: 5163.03, 0.00312426/step Wall: 5163.03, 0.00312426/step, 2.90486 hours remaining, 233.230469 MB of memory in use. ENERGY: 1652800 4005.1601 20522.7935 14473.2337 237.3240 -203129.0967 2836.2644 0.0000 0.0000 52059.2367 -108995.0843 299.1851 -161054.3210 -108628.1211 298.8763 -90.3104 -60.6459 763043.5495 6.2201 6.3192 PRESSURE: 1653000 -76.4126 179.239 56.281 179.239 16.2337 182.172 56.2809 182.172 41.9403 GPRESSURE: 1653000 -67.934 213.604 63.5149 238.317 94.7696 189.106 76.6436 185.66 47.4487 PRESSAVG: 1653000 57.882 -26.2539 -14.0004 -26.254 2.0925 49.5956 -14.0005 49.5956 -10.3584 GPRESSAVG: 1653000 57.6587 -26.0208 -15.28 -25.0853 2.71638 50.5424 -14.8388 48.5476 -10.6504 TIMING: 1653000 CPU: 5163.65, 0.00309628/step Wall: 5163.65, 0.00309628/step, 2.87868 hours remaining, 233.230469 MB of memory in use. ENERGY: 1653000 3984.8327 20643.5660 14443.5426 239.6092 -203155.4031 2861.4205 0.0000 0.0000 51980.4238 -109002.0083 298.7322 -160982.4321 -108650.2208 300.0314 -6.0795 24.7614 764091.0534 16.5387 16.5749 PRESSURE: 1653200 -54.5658 16.5051 172.058 16.505 -74.5789 21.5541 172.058 21.5538 -111.105 GPRESSURE: 1653200 -90.7078 120.03 210.139 -138.382 62.7355 11.537 212.817 14.5485 -110.959 PRESSAVG: 1653200 30.4719 -0.354565 3.31509 -0.354573 -0.0200755 12.9153 3.31508 12.9152 -28.131 GPRESSAVG: 1653200 30.2302 -1.97907 3.49507 0.384381 0.436237 13.8247 4.94709 13.5894 -28.4711 TIMING: 1653200 CPU: 5164.27, 0.00312035/step Wall: 5164.27, 0.00312035/step, 2.90089 hours remaining, 233.230469 MB of memory in use. ENERGY: 1653200 3970.8565 20562.3388 14385.2571 257.7274 -203043.4503 2706.2014 0.0000 0.0000 52108.7524 -109052.3167 299.4697 -161161.0691 -108683.6457 299.3233 -80.0834 -46.3105 764202.4271 0.7736 0.7318 PRESSURE: 1653400 231.066 102.187 -187.86 102.187 533.25 -5.6089 -187.86 -5.60944 -19.974 GPRESSURE: 1653400 372.793 19.2802 -120.434 34.6656 469.41 2.61836 -187.144 -144.156 6.55513 PRESSAVG: 1653400 12.7588 -8.06849 52.8175 -8.0684 -1.90558 20.3889 52.8175 20.389 -11.8994 GPRESSAVG: 1653400 13.2356 -5.97963 52.4268 -10.8682 -1.83196 17.5676 51.9333 22.0905 -12.0547 TIMING: 1653400 CPU: 5164.89, 0.00311227/step Wall: 5164.89, 0.00311227/step, 2.8932 hours remaining, 233.230469 MB of memory in use. ENERGY: 1653400 4019.3302 20572.7020 14419.9851 249.9302 -203755.5478 3167.2713 0.0000 0.0000 52165.5518 -109160.7772 299.7961 -161326.3290 -108798.0710 299.4954 248.1141 282.9192 761074.0695 -0.3487 -0.2170 PRESSURE: 1653600 -16.2381 95.7783 -47.0403 95.7786 228.611 187.446 -47.0409 187.447 -67.7406 GPRESSURE: 1653600 18.2621 234.213 -128.494 80.4104 218.663 161.471 132.643 168.399 -31.8299 PRESSAVG: 1653600 76.2723 21.9677 77.7513 21.9677 -8.0004 39.9823 77.7512 39.9823 -0.48991 GPRESSAVG: 1653600 75.3448 23.2414 75.9085 23.4585 -8.59956 40.2012 78.4331 38.4315 1.06213 TIMING: 1653600 CPU: 5165.52, 0.00311124/step Wall: 5165.52, 0.00311124/step, 2.89207 hours remaining, 233.230469 MB of memory in use. ENERGY: 1653600 4017.2558 20430.1691 14457.3290 238.4932 -203165.2253 2688.4002 0.0000 0.0000 52007.7750 -109325.8030 298.8894 -161333.5781 -108958.6114 299.5931 48.2108 68.3649 763625.1358 22.5940 22.6024 PRESSURE: 1653800 -460.393 48.0425 -6.39577 48.0429 -274.333 -44.881 -6.39617 -44.8797 -525.822 GPRESSURE: 1653800 -439.26 60.7606 28.8278 74.0667 -267.954 -18.312 -27.2149 44.502 -467.853 PRESSAVG: 1653800 -10.259 -51.3314 -13.3544 -51.3314 16.9855 5.59 -13.3543 5.59001 -18.2774 GPRESSAVG: 1653800 -8.75188 -51.936 -11.11 -53.5181 16.2286 8.71613 -15.0145 4.32248 -19.0985 TIMING: 1653800 CPU: 5166.14, 0.00313169/step Wall: 5166.14, 0.00313169/step, 2.91091 hours remaining, 233.230469 MB of memory in use. ENERGY: 1653800 4023.8031 20528.7832 14538.0321 263.1009 -203558.0429 2726.9749 0.0000 0.0000 52177.7076 -109299.6412 299.8660 -161477.3488 -108935.1324 299.7788 -420.1827 -391.6889 763298.9509 -3.8503 -3.8739 PRESSURE: 1654000 219.421 -83.6999 16.9512 -83.699 -193.711 -259.261 16.9523 -259.261 -137.147 GPRESSURE: 1654000 190.236 -118.747 -2.62607 -68.8749 -128.891 -324.113 -8.351 -160.106 -92.9902 PRESSAVG: 1654000 38.5101 -10.164 -16.9823 -10.164 -64.6883 1.99283 -16.9823 1.99288 -23.0626 GPRESSAVG: 1654000 38.5369 -11.0652 -16.6236 -7.4244 -64.0285 -0.0901195 -16.0205 2.56692 -23.6872 TIMING: 1654000 CPU: 5166.77, 0.0031237/step Wall: 5166.77, 0.0031237/step, 2.90331 hours remaining, 233.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1654000 4013.7915 20477.8502 14527.6648 245.8642 -203589.7103 2926.3824 0.0000 0.0000 51913.0091 -109485.1481 298.3448 -161398.1572 -109126.8323 298.6982 -37.1459 -10.5486 762538.2778 -16.4136 -16.3929 PRESSURE: 1654200 302.679 17.8763 95.6835 17.8766 89.9449 -35.3584 95.6837 -35.3592 69.8347 GPRESSURE: 1654200 324.213 28.0342 113.797 3.76794 118.702 94.4111 39.3047 6.15523 118.992 PRESSAVG: 1654200 47.653 -25.4776 -20.8122 -25.4776 4.68908 54.98 -20.8123 54.98 -7.16976 GPRESSAVG: 1654200 47.5372 -23.576 -20.8941 -28.0029 5.48939 53.7095 -22.3567 57.2115 -7.14171 TIMING: 1654200 CPU: 5167.39, 0.00312622/step Wall: 5167.39, 0.00312622/step, 2.90547 hours remaining, 233.230469 MB of memory in use. ENERGY: 1654200 3993.5769 20582.3342 14411.5460 266.7969 -203746.5661 3106.8129 0.0000 0.0000 51664.0137 -109721.4855 296.9138 -161385.4992 -109364.2283 298.1316 154.1529 187.3023 762628.7053 15.0574 15.2949 PRESSURE: 1654400 -80.4397 -127.57 145.564 -127.569 -548.676 80.5614 145.564 80.5612 -390.025 GPRESSURE: 1654400 -97.9548 -9.47637 118.226 -182.424 -496.368 83.1989 41.1726 41.6769 -336.433 PRESSAVG: 1654400 37.6626 -25.5359 38.5262 -25.5359 -58.17 23.9601 38.5262 23.9601 -1.51288 GPRESSAVG: 1654400 38.7822 -27.4835 37.76 -23.096 -59.7747 24.096 39.9313 23.7984 -0.874945 TIMING: 1654400 CPU: 5168.02, 0.00312125/step Wall: 5168.02, 0.00312125/step, 2.90068 hours remaining, 233.230469 MB of memory in use. ENERGY: 1654400 4007.2499 20353.6057 14440.8550 252.8132 -203913.4185 2963.2129 0.0000 0.0000 51959.1316 -109936.5503 298.6098 -161895.6818 -109570.9601 298.0341 -339.7135 -310.2520 762922.1523 -7.3401 -7.2891 PRESSURE: 1654600 230.264 -51.2119 -8.78343 -51.2123 146.858 -151.829 -8.78328 -151.829 167.173 GPRESSURE: 1654600 240.136 -36.6875 52.0436 -78.4811 241.527 -62.6275 -120.082 -233.349 160.082 PRESSAVG: 1654600 70.2112 12.2703 2.60308 12.2704 5.97575 33.8536 2.60312 33.8536 -1.41492 GPRESSAVG: 1654600 68.9159 12.6057 2.71888 11.4162 7.08686 36.4144 2.49044 31.5595 -1.33178 TIMING: 1654600 CPU: 5168.65, 0.00314017/step Wall: 5168.65, 0.00314017/step, 2.91809 hours remaining, 233.230469 MB of memory in use. ENERGY: 1654600 3994.1367 20577.4453 14518.9232 245.0235 -203918.1594 2983.4706 0.0000 0.0000 51808.5020 -109790.6582 297.7442 -161599.1602 -109436.1412 297.8700 181.4317 213.9148 761570.7014 24.9240 24.8903 PRESSURE: 1654800 -107.905 51.8487 77.7736 51.8487 264.173 -56.9816 77.7736 -56.9812 -30.3215 GPRESSURE: 1654800 90.1812 64.2583 46.065 117.542 117.497 -13.4303 92.3235 -65.243 10.3002 PRESSAVG: 1654800 34.4374 28.0892 0.345808 28.0891 8.20721 22.4152 0.345776 22.4152 -8.77816 GPRESSAVG: 1654800 34.2638 26.0999 2.00251 28.7576 9.00238 21.8102 -0.40748 22.4723 -8.95987 TIMING: 1654800 CPU: 5169.27, 0.00313625/step Wall: 5169.27, 0.00313625/step, 2.91427 hours remaining, 233.230469 MB of memory in use. ENERGY: 1654800 4004.5429 20541.5134 14321.5999 260.5381 -203730.0945 3025.8782 0.0000 0.0000 51926.5523 -109649.4698 298.4226 -161576.0220 -109286.1540 298.4111 41.9821 72.6594 762524.3573 11.2888 11.4354 PRESSURE: 1655000 -269.961 -169.813 -320.44 -169.813 -161.572 65.1107 -320.441 65.1107 151.892 GPRESSURE: 1655000 -245.659 -199.875 -333.733 -274.179 -107.706 84.6753 -300.479 15.0478 155.221 PRESSAVG: 1655000 44.9422 -23.936 -6.66812 -23.936 28.2851 32.1882 -6.66808 32.1882 -19.2139 GPRESSAVG: 1655000 45.7847 -23.418 -5.73613 -22.657 27.7291 31.4531 -7.09099 32.3274 -19.3181 TIMING: 1655000 CPU: 5169.9, 0.00312288/step Wall: 5169.9, 0.00312288/step, 2.90168 hours remaining, 233.230469 MB of memory in use. ENERGY: 1655000 3962.9277 20657.0897 14466.6302 221.4935 -203394.6943 2724.9958 0.0000 0.0000 51834.5297 -109527.0278 297.8938 -161361.5575 -109172.8172 298.2562 -93.2135 -66.0480 763316.3234 18.0045 18.0652 PRESSURE: 1655200 -84.3677 -54.5299 34.2028 -54.5298 68.8603 79.6132 34.2025 79.6134 -217.213 GPRESSURE: 1655200 -160.1 17.9035 -26.69 -113.019 105.615 17.3226 -19.0528 38.9759 -97.3373 PRESSAVG: 1655200 23.7153 -25.1593 -4.78859 -25.1592 -13.5822 21.0323 -4.78859 21.0322 -9.3349 GPRESSAVG: 1655200 22.1738 -24.2918 -6.97767 -26.9623 -12.9841 20.2682 -3.36948 22.0984 -8.39392 TIMING: 1655200 CPU: 5170.52, 0.00312279/step Wall: 5170.52, 0.00312279/step, 2.90142 hours remaining, 233.230469 MB of memory in use. ENERGY: 1655200 4024.7706 20567.3623 14404.8273 239.6782 -202666.9462 2472.9672 0.0000 0.0000 51609.0910 -109348.2496 296.5982 -160957.3406 -108995.8632 298.7308 -77.5734 -50.6074 765892.5614 0.2661 0.2653 PRESSURE: 1655400 126.799 -104.511 166.3 -104.511 49.3168 214.048 166.299 214.049 488.91 GPRESSURE: 1655400 140.878 -50.6763 188.69 -80.5592 63.9516 231.367 199.243 59.2004 566.898 PRESSAVG: 1655400 7.64521 1.64751 -22.843 1.6475 17.6383 34.2126 -22.8431 34.2126 -22.0299 GPRESSAVG: 1655400 9.20975 2.77105 -22.8863 0.4583 16.8734 35.4432 -23.099 32.5099 -22.7544 TIMING: 1655400 CPU: 5171.15, 0.00313049/step Wall: 5171.15, 0.00313049/step, 2.9084 hours remaining, 233.230469 MB of memory in use. ENERGY: 1655400 3967.2767 20549.3389 14483.6256 247.6749 -203499.9349 2915.0444 0.0000 0.0000 52072.3292 -109264.6451 299.2604 -161336.9743 -108903.2760 298.6108 221.6751 257.2426 762720.4631 1.0845 1.1096 PRESSURE: 1655600 51.8581 152.045 36.6104 152.045 -29.0684 235.238 36.6096 235.238 -345.354 GPRESSURE: 1655600 118.12 87.5921 53.8138 29.5166 46.5882 257.772 68.9686 93.3498 -392.637 PRESSAVG: 1655600 26.817 -7.80371 45.0157 -7.80369 -41.8893 -14.6329 45.0157 -14.6328 7.87998 GPRESSAVG: 1655600 25.8594 -7.67252 45.3262 -9.19241 -40.9736 -16.6255 44.565 -13.4026 7.92848 TIMING: 1655600 CPU: 5171.77, 0.00312777/step Wall: 5171.77, 0.00312777/step, 2.9057 hours remaining, 233.230469 MB of memory in use. ENERGY: 1655600 4006.0163 20512.9903 14545.0681 246.7324 -203252.0748 2655.7472 0.0000 0.0000 51982.8330 -109302.6876 298.7461 -161285.5206 -108942.8287 299.0031 -107.5215 -75.9762 764169.3466 -2.3975 -2.3952 PRESSURE: 1655800 190.006 -41.4745 -218.981 -41.4745 -135.9 210.102 -218.981 210.101 403.556 GPRESSURE: 1655800 261.909 -99.0339 -184.429 -85.5355 -91.9749 126.474 -229.945 213.405 371.743 PRESSAVG: 1655800 10.0443 4.96363 61.9412 4.96363 -37.7408 48.8962 61.9411 48.8963 14.9113 GPRESSAVG: 1655800 9.77004 3.4727 60.5611 5.72719 -37.0929 49.2047 61.1743 51.3014 14.4488 TIMING: 1655800 CPU: 5172.4, 0.00313386/step Wall: 5172.4, 0.00313386/step, 2.91118 hours remaining, 233.230469 MB of memory in use. ENERGY: 1655800 4000.0645 20418.2047 14521.5510 233.8316 -203456.9650 2943.8979 0.0000 0.0000 52005.9032 -109333.5120 298.8786 -161339.4152 -108981.3999 298.8733 152.5538 180.5591 762631.2836 -4.2617 -4.2913 PRESSURE: 1656000 -225.253 39.7066 44.6806 39.7065 344.315 -172.226 44.6803 -172.225 -363.555 GPRESSURE: 1656000 -182.422 30.8942 4.90062 5.15679 365.652 -168.14 36.9923 -85.6637 -335.085 PRESSAVG: 1656000 24.7235 -54.4744 -5.21302 -54.4744 -30.5589 -9.19837 -5.21304 -9.1983 -22.7238 GPRESSAVG: 1656000 24.2668 -56.3798 -3.19227 -53.3187 -30.4017 -8.04701 -6.32258 -10.5242 -21.7316 TIMING: 1656000 CPU: 5173.03, 0.0031323/step Wall: 5173.03, 0.0031323/step, 2.90956 hours remaining, 233.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1656000 4101.1635 20448.2132 14447.7526 245.0436 -203779.0259 2916.5304 0.0000 0.0000 52096.1208 -109524.2019 299.3971 -161620.3227 -109168.9208 298.4013 -81.4975 -50.6184 762732.0034 -9.5198 -9.2888 PRESSURE: 1656200 -90.1886 111.803 -21.5894 111.804 -365.56 -167.03 -21.5891 -167.031 -443.061 GPRESSURE: 1656200 -77.9625 113.27 -5.07849 163.411 -275.012 -203.671 -62.9983 -99.4525 -459.199 PRESSAVG: 1656200 -41.2367 -43.8387 1.90601 -43.8387 56.6539 -27.0157 1.90598 -27.0157 2.85249 GPRESSAVG: 1656200 -41.2211 -41.2645 3.66962 -43.4397 57.8071 -27.9966 3.68472 -27.8035 1.6669 TIMING: 1656200 CPU: 5173.65, 0.00312675/step Wall: 5173.65, 0.00312675/step, 2.90423 hours remaining, 233.230469 MB of memory in use. ENERGY: 1656200 4029.7019 20499.6546 14514.8131 247.0820 -203436.8719 2634.4900 0.0000 0.0000 52008.6432 -109502.4870 298.8944 -161511.1302 -109142.2499 298.5660 -299.6031 -270.7243 763634.3117 6.0899 6.0843 LDB: ============= START OF LOAD BALANCING ============== 5186.13 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5186.13 LDB: =============== DONE WITH MIGRATION ================ 5186.13 LDB: ============= START OF LOAD BALANCING ============== 5186.45 LDB: Largest compute 7007 load 0.028866 is 14.8% of average load 0.195076 LDB: Average compute 0.004399 is 2.3% of average load 0.195076 LDB: TIME 5186.45 LOAD: AVG 0.195076 MAX 0.212487 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.742 MB LDB: TIME 5186.45 LOAD: AVG 0.195076 MAX 0.212487 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.742 MB LDB: TIME 5186.45 LOAD: AVG 0.195076 MAX 0.212487 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.742 MB LDB: ============== END OF LOAD BALANCING =============== 5186.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5186.46 PRESSURE: 1656400 -53.7179 6.04495 84.7573 6.04319 -382.519 17.1931 84.7569 17.1933 -104.186 GPRESSURE: 1656400 -63.6633 -35.7674 98.071 57.3137 -316.835 152.318 77.5029 -16.8743 -78.7589 PRESSAVG: 1656400 14.2874 0.505858 13.5017 0.505806 6.71651 -8.17255 13.5017 -8.17254 -11.048 GPRESSAVG: 1656400 15.8322 0.169021 11.2363 0.238833 3.82043 -7.89814 13.6953 -6.73101 -10.0861 TIMING: 1656400 CPU: 5174.29, 0.00319998/step Wall: 5174.29, 0.00319998/step, 2.97207 hours remaining, 234.253906 MB of memory in use. ENERGY: 1656400 4045.4308 20641.5626 14508.3969 253.6069 -203450.5253 2456.8789 0.0000 0.0000 52070.4882 -109474.1610 299.2498 -161544.6492 -109113.0846 299.2130 -180.1411 -153.0857 760767.5602 3.3186 3.1888 PRESSURE: 1656600 -269.83 -221.018 203.193 -221.019 141.742 -77.595 203.193 -77.5942 31.8239 GPRESSURE: 1656600 -180.536 -206.611 204.219 -144.655 174.309 -71.1103 14.1199 -75.0613 7.07991 PRESSAVG: 1656600 -8.25372 -12.8244 10.3718 -12.8245 -44.0392 22.2131 10.3717 22.2131 9.48347 GPRESSAVG: 1656600 -9.35096 -12.8839 10.1312 -14.0016 -43.0377 21.2697 10.3745 19.9038 9.44182 TIMING: 1656600 CPU: 5174.92, 0.00311568/step Wall: 5174.92, 0.00311568/step, 2.8936 hours remaining, 234.453125 MB of memory in use. ENERGY: 1656600 3939.5481 20522.1245 14549.4291 232.0834 -203569.3761 2958.4710 0.0000 0.0000 52041.6855 -109326.0344 299.0843 -161367.7199 -108959.9803 299.4209 -32.0880 0.2843 761314.8743 -14.2698 -14.3156 PRESSURE: 1656800 -59.6986 179.892 -37.4068 179.892 -152.59 43.4841 -37.4072 43.4841 86.9766 GPRESSURE: 1656800 -46.0479 200.23 -107.315 186.667 -54.5164 81.4718 -20.955 -71.9619 78.3475 PRESSAVG: 1656800 -12.5525 17.099 53.2242 17.099 -20.3068 -24.3677 53.2243 -24.3677 -10.0008 GPRESSAVG: 1656800 -13.1327 17.0732 54.5139 18.4099 -20.3109 -23.753 52.1525 -21.4133 -9.04183 TIMING: 1656800 CPU: 5175.54, 0.00312546/step Wall: 5175.54, 0.00312546/step, 2.90251 hours remaining, 234.453125 MB of memory in use. ENERGY: 1656800 4080.0544 20504.7494 14459.5374 258.0814 -203652.0071 2953.9513 0.0000 0.0000 52202.1834 -109193.4499 300.0067 -161395.6333 -108830.0491 299.8241 -41.7708 -7.4056 762760.5693 -14.2867 -14.1618 PRESSURE: 1657000 49.8234 -207.639 18.0579 -207.639 463.38 -7.17585 18.0579 -7.17524 422.497 GPRESSURE: 1657000 146.492 -201.789 -32.5081 -117.304 411.58 11.8498 140.169 -61.5096 475.321 PRESSAVG: 1657000 -8.54139 6.35114 -1.78767 6.35118 -23.5601 22.4316 -1.78768 22.4316 17.2324 GPRESSAVG: 1657000 -7.61808 5.43145 -1.32347 4.58198 -24.378 23.4329 -0.879678 21.5826 17.2535 TIMING: 1657000 CPU: 5176.17, 0.00313025/step Wall: 5176.17, 0.00313025/step, 2.90679 hours remaining, 234.453125 MB of memory in use. ENERGY: 1657000 4015.1054 20583.1957 14430.6788 260.5950 -203779.3700 3072.2627 0.0000 0.0000 52133.8713 -109283.6611 299.6141 -161417.5324 -108924.0154 299.7584 311.9001 344.4645 762943.8526 -4.9564 -4.9142 PRESSURE: 1657200 12.9851 -169.921 108.912 -169.921 157.126 -25.0417 108.911 -25.0422 327.282 GPRESSURE: 1657200 110.816 -183.011 42.7602 -213.919 188.885 -33.3402 58.0248 4.79216 276.41 PRESSAVG: 1657200 -30.9178 53.3766 6.08186 53.3767 1.24975 1.02333 6.08183 1.02339 -4.90833 GPRESSAVG: 1657200 -30.8802 52.9276 3.82467 55.4138 1.68792 0.616338 5.55331 0.716 -5.86347 TIMING: 1657200 CPU: 5176.79, 0.00312049/step Wall: 5176.79, 0.00312049/step, 2.89755 hours remaining, 234.453125 MB of memory in use. ENERGY: 1657200 4020.3662 20528.4411 14448.2866 235.9814 -203576.1750 2874.5022 0.0000 0.0000 52194.0657 -109274.5319 299.9600 -161468.5976 -108908.4694 299.5168 165.7975 192.0370 761652.8599 -11.5255 -11.6853 PRESSURE: 1657400 -102.511 50.8798 -75.3523 50.8795 -36.0596 85.9636 -75.3533 85.9645 -6.19534 GPRESSURE: 1657400 -13.775 -2.2417 8.2131 55.8051 16.5037 88.5197 -108.053 100.207 -55.2194 PRESSAVG: 1657400 -26.1648 -18.4333 36.6007 -18.4334 4.89121 59.5674 36.6007 59.5675 17.726 GPRESSAVG: 1657400 -26.6453 -16.0915 37.516 -21.5205 5.18616 57.8874 36.6442 59.1066 17.9226 TIMING: 1657400 CPU: 5177.42, 0.00312929/step Wall: 5177.42, 0.00312929/step, 2.90554 hours remaining, 234.453125 MB of memory in use. ENERGY: 1657400 4030.6861 20505.4653 14437.1113 258.2864 -203205.8137 2609.4626 0.0000 0.0000 52408.7843 -108956.0176 301.1940 -161364.8019 -108593.2059 299.8065 -48.2552 -17.4969 762736.7955 -1.1825 -1.1788 PRESSURE: 1657600 97.5713 -77.7951 -163.284 -77.795 -293.334 -158.401 -163.283 -158.399 -259.405 GPRESSURE: 1657600 59.8207 -76.9333 -234.678 -107.046 -135.065 -235.208 -114.503 -154.946 -278.971 PRESSAVG: 1657600 -34.8518 -22.0259 -39.1935 -22.0259 27.9457 11.3459 -39.1936 11.3459 -28.2981 GPRESSAVG: 1657600 -34.0747 -22.9414 -40.2707 -20.3858 27.742 12.4216 -39.9199 9.25904 -29.0179 TIMING: 1657600 CPU: 5178.04, 0.0031299/step Wall: 5178.04, 0.0031299/step, 2.90594 hours remaining, 234.453125 MB of memory in use. ENERGY: 1657600 3980.9505 20580.5740 14387.9376 262.6152 -202732.0990 2415.0890 0.0000 0.0000 52240.9060 -108864.0267 300.2292 -161104.9327 -108496.9723 299.8258 -151.7226 -118.0717 763566.2222 -11.7347 -11.7836 PRESSURE: 1657800 234.326 172.889 198.506 172.89 -207.554 -65.0945 198.505 -65.0952 389.91 GPRESSURE: 1657800 153.101 89.926 170.686 179.767 -109.936 -99.5764 -36.2609 17.5134 452.509 PRESSAVG: 1657800 21.1626 -36.6507 21.8872 -36.6507 26.3782 -29.2572 21.8873 -29.2573 8.77028 GPRESSAVG: 1657800 20.9165 -37.7189 22.4727 -35.3458 25.4848 -29.6489 20.538 -26.1935 9.91296 TIMING: 1657800 CPU: 5178.67, 0.00312246/step Wall: 5178.67, 0.00312246/step, 2.89886 hours remaining, 234.453125 MB of memory in use. ENERGY: 1657800 3992.2179 20758.9319 14461.9592 249.2033 -203356.6702 2880.2809 0.0000 0.0000 52393.8269 -108620.2500 301.1080 -161014.0769 -108254.9513 300.4071 138.8945 165.2246 763480.0915 18.7704 18.7714 PRESSURE: 1658000 -144.824 -88.9641 -160.842 -88.9643 -89.141 16.3083 -160.842 16.3074 -107.025 GPRESSURE: 1658000 -110.534 -87.9093 -130.473 -296.24 -61.2265 87.492 -92.9671 29.0382 -95.382 PRESSAVG: 1658000 -24.1516 -63.7429 6.90063 -63.7429 27.3563 15.2177 6.90057 15.2178 14.4269 GPRESSAVG: 1658000 -24.2926 -62.7364 6.50323 -66.1162 27.9398 16.1689 10.3494 14.3572 13.3549 TIMING: 1658000 CPU: 5179.29, 0.00312187/step Wall: 5179.29, 0.00312187/step, 2.89813 hours remaining, 234.453125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1658000 4082.0398 20622.1810 14457.0858 250.2368 -203152.7252 2670.2777 0.0000 0.0000 52229.0837 -108841.8205 300.1613 -161070.9042 -108477.3101 300.8228 -113.6633 -89.0474 762396.7322 5.8772 5.6674 PRESSURE: 1658200 -154.602 229.403 -50.261 229.404 7.65552 129.119 -50.2616 129.119 -106.219 GPRESSURE: 1658200 -40.0898 277.951 -21.24 198.223 -71.8881 233.217 -97.5699 149.527 -55.5634 PRESSAVG: 1658200 -18.9273 -24.0816 -23.6946 -24.0816 -12.3572 -2.75699 -23.6946 -2.75702 -7.97918 GPRESSAVG: 1658200 -18.9045 -25.2624 -21.9131 -21.8689 -12.1376 -1.7067 -26.6392 -3.251 -7.90751 TIMING: 1658200 CPU: 5179.91, 0.00311053/step Wall: 5179.91, 0.00311053/step, 2.88744 hours remaining, 234.453125 MB of memory in use. ENERGY: 1658200 4016.2181 20849.5236 14411.8384 229.8586 -203120.0093 2593.1374 0.0000 0.0000 52250.2082 -108769.2251 300.2827 -161019.4332 -108415.8354 299.8553 -84.3886 -55.8471 761302.0015 -13.0879 -12.9832 PRESSURE: 1658400 -203.876 13.2236 -45.2048 13.2242 -237.091 149.334 -45.2053 149.335 51.068 GPRESSURE: 1658400 -226.313 74.0863 -78.8722 60.7623 -176.029 98.9385 -160.21 195.765 92.2011 PRESSAVG: 1658400 38.6425 -11.0356 35.2325 -11.0356 -0.918528 44.6721 35.2324 44.672 -27.1383 GPRESSAVG: 1658400 39.0783 -9.35311 33.9974 -11.4625 -1.91848 43.1961 38.1858 45.3383 -26.3665 TIMING: 1658400 CPU: 5180.54, 0.00312514/step Wall: 5180.54, 0.00312514/step, 2.90083 hours remaining, 234.453125 MB of memory in use. ENERGY: 1658400 4060.5674 20605.3042 14490.1819 251.5858 -202906.7497 2560.4426 0.0000 0.0000 52258.6988 -108679.9690 300.3315 -160938.6678 -108317.4899 300.3311 -129.9662 -103.3804 763522.0416 3.5286 3.5978 PRESSURE: 1658600 -148.833 76.3041 -77.7938 76.3036 33.5311 210.419 -77.7943 210.419 -82.1639 GPRESSURE: 1658600 -78.5701 -41.6577 -72.9855 -47.5842 -2.78754 225.605 -21.6472 102.232 -22.9207 PRESSAVG: 1658600 47.6814 16.1377 39.0928 16.1377 -20.3676 -0.0259461 39.0928 -0.0258857 -2.80581 GPRESSAVG: 1658600 47.479 15.822 40.1257 15.0182 -19.7949 1.63994 36.1059 0.583946 -3.22777 TIMING: 1658600 CPU: 5181.16, 0.00310962/step Wall: 5181.16, 0.00310962/step, 2.88624 hours remaining, 234.453125 MB of memory in use. ENERGY: 1658600 4019.9863 20422.6150 14517.1537 236.5724 -203080.2646 2804.2707 0.0000 0.0000 52099.7375 -108979.9289 299.4179 -161079.6664 -108615.3805 299.9236 -65.8219 -34.7595 762619.3671 8.1693 8.1521 PRESSURE: 1658800 167.505 164.069 6.52743 164.069 127.18 -7.27081 6.5271 -7.27122 240.982 GPRESSURE: 1658800 162.415 159.627 -44.6409 130.24 225.782 -106.817 -163.539 27.1343 213.562 PRESSAVG: 1658800 9.19323 28.7707 29.7067 28.7708 -4.99225 -6.77322 29.7067 -6.77325 10.9403 GPRESSAVG: 1658800 8.34192 28.7867 27.4788 28.2542 -4.78919 -8.98944 32.1866 -6.59975 10.6087 TIMING: 1658800 CPU: 5181.78, 0.0031219/step Wall: 5181.78, 0.0031219/step, 2.89747 hours remaining, 234.453125 MB of memory in use. ENERGY: 1658800 3890.2368 20545.3181 14484.8909 245.0141 -203407.8824 3044.3359 0.0000 0.0000 52093.8326 -109104.2541 299.3840 -161198.0866 -108739.0162 299.8297 178.5555 200.5860 762184.7145 5.0471 4.7205 PRESSURE: 1659000 18.6093 177.683 137.764 177.682 -454.77 -131.14 137.764 -131.141 167.275 GPRESSURE: 1659000 25.6701 216.975 133.149 215.41 -336.288 -116.704 70.9581 51.6142 141.939 PRESSAVG: 1659000 33.8398 -24.746 2.71628 -24.746 -27.7132 -7.51585 2.71633 -7.51585 5.42129 GPRESSAVG: 1659000 34.6748 -24.5557 2.28415 -24.0923 -27.1108 -7.49632 0.635371 -7.32919 3.84006 TIMING: 1659000 CPU: 5182.41, 0.00312605/step Wall: 5182.41, 0.00312605/step, 2.90114 hours remaining, 234.453125 MB of memory in use. ENERGY: 1659000 4006.8842 20457.0544 14510.5229 241.2528 -203006.0719 2752.1596 0.0000 0.0000 52086.5945 -108951.6034 299.3424 -161038.1979 -108590.8343 299.6345 -89.6284 -56.2264 761864.7773 3.8493 3.8014 PRESSURE: 1659200 173.288 63.0458 213.833 63.0459 -42.4343 -126.816 213.833 -126.815 -105.407 GPRESSURE: 1659200 237.409 29.9423 235.709 60.4227 -96.6187 -93.2687 177.728 -89.194 -40.9407 PRESSAVG: 1659200 -17.2454 -42.9846 10.2246 -42.9847 12.0906 -40.9272 10.2245 -40.9271 -4.57659 GPRESSAVG: 1659200 -16.678 -44.4532 10.7823 -42.6559 10.8592 -39.6244 11.4498 -42.4583 -4.19624 TIMING: 1659200 CPU: 5183.03, 0.00312297/step Wall: 5183.03, 0.00312297/step, 2.89812 hours remaining, 234.453125 MB of memory in use. ENERGY: 1659200 4036.8194 20497.6816 14421.5669 256.7378 -203336.8241 2937.1943 0.0000 0.0000 52060.4304 -109126.3938 299.1920 -161186.8242 -108758.9635 299.3471 8.4823 33.2831 761607.6136 -3.2438 -3.3384 PRESSURE: 1659400 261.422 -57.4773 87.7538 -57.4776 326.337 155.559 87.7533 155.56 639.627 GPRESSURE: 1659400 293.84 -159.279 -7.35924 -42.1826 350.146 234.858 54.4585 39.752 654.519 PRESSAVG: 1659400 -0.787814 25.0406 52.5467 25.0405 18.2771 -7.74167 52.5467 -7.74154 -15.8011 GPRESSAVG: 1659400 -0.702199 26.4904 54.3232 23.7618 18.073 -6.69214 51.6256 -7.27728 -15.4472 TIMING: 1659400 CPU: 5183.66, 0.00312219/step Wall: 5183.66, 0.00312219/step, 2.89721 hours remaining, 234.453125 MB of memory in use. ENERGY: 1659400 3984.1814 20541.5221 14448.2717 261.1858 -203082.7587 2649.9095 0.0000 0.0000 52051.3628 -109146.3253 299.1399 -161197.6881 -108780.9426 299.3721 409.1284 432.8351 762344.5512 0.5627 0.6412 PRESSURE: 1659600 -62.2268 -118.521 -16.8412 -118.521 -386.991 63.3057 -16.841 63.3066 -27.8439 GPRESSURE: 1659600 24.5521 -174.857 -140.458 -67.2962 -358.08 92.1436 -14.2174 -23.6853 -58.3284 PRESSAVG: 1659600 9.42359 -13.9679 35.5298 -13.9679 3.25395 31.5536 35.5298 31.5536 12.6586 GPRESSAVG: 1659600 10.0279 -14.5628 34.6149 -14.469 2.26726 31.3911 36.7011 29.5408 12.9826 TIMING: 1659600 CPU: 5184.29, 0.00313619/step Wall: 5184.29, 0.00313619/step, 2.91004 hours remaining, 234.453125 MB of memory in use. ENERGY: 1659600 3953.7146 20273.6788 14480.7511 273.5673 -203386.4527 2785.8595 0.0000 0.0000 52305.1940 -109313.6874 300.5987 -161618.8814 -108947.1165 299.4889 -159.0207 -130.6189 763724.9851 8.4454 8.4259 PRESSURE: 1659800 -94.7472 -47.7161 -27.7422 -47.7169 -211.076 -163.897 -27.7425 -163.897 -76.8293 GPRESSURE: 1659800 -132.514 -31.9183 -14.5896 9.05289 -135.712 -168.081 -124.028 -228.38 -7.30336 PRESSAVG: 1659800 -17.466 -55.4597 23.8731 -55.4596 1.85939 17.9575 23.8731 17.9575 8.59301 GPRESSAVG: 1659800 -19.5906 -54.5451 24.5796 -53.8095 3.41731 18.7365 22.9625 17.8578 8.37373 TIMING: 1659800 CPU: 5184.91, 0.00314254/step Wall: 5184.91, 0.00314254/step, 2.91575 hours remaining, 234.453125 MB of memory in use. ENERGY: 1659800 3919.0625 20461.2377 14364.0455 260.2338 -203175.2370 2736.5600 0.0000 0.0000 51867.2565 -109566.8408 298.0818 -161434.0974 -109204.2990 298.4994 -127.5508 -91.8430 762657.9895 -2.3379 -2.5999 PRESSURE: 1660000 -143.584 -32.255 49.4917 -32.2561 367.441 -216.722 49.4914 -216.722 177.07 GPRESSURE: 1660000 -82.7675 -82.7895 77.1749 10.5709 404.293 -254.123 108.306 -166.004 198.291 PRESSAVG: 1660000 38.9768 30.0632 -3.75443 30.0632 -15.5974 -53.7165 -3.75447 -53.7165 0.786361 GPRESSAVG: 1660000 40.1914 29.7673 -2.80769 30.1778 -17.0722 -54.0602 -3.65257 -53.1737 1.03505 TIMING: 1660000 CPU: 5185.54, 0.00313338/step Wall: 5185.54, 0.00313338/step, 2.90708 hours remaining, 234.453125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1660000 3953.3800 20317.8377 14347.3986 230.3670 -203661.6500 2975.5943 0.0000 0.0000 52140.2648 -109696.8075 299.6508 -161837.0723 -109334.6494 297.6379 133.6424 173.2723 761592.9334 8.0553 8.0514 PRESSURE: 1660200 177.146 11.5463 45.8516 11.5456 61.494 172.707 45.8517 172.707 72.9952 GPRESSURE: 1660200 179.236 99.5816 23.1602 94.1854 124.918 235.973 9.93225 229.222 83.318 PRESSAVG: 1660200 -9.92614 -23.6777 6.26741 -23.6777 -8.89464 -10.0882 6.26743 -10.0882 17.8188 GPRESSAVG: 1660200 -9.56984 -22.8993 5.88366 -24.4868 -9.4575 -11.014 6.85615 -7.60472 17.9927 TIMING: 1660200 CPU: 5186.17, 0.00314977/step Wall: 5186.17, 0.00314977/step, 2.92211 hours remaining, 234.453125 MB of memory in use. ENERGY: 1660200 3990.0662 20409.4218 14350.1277 236.4908 -203222.4337 2823.5167 0.0000 0.0000 51689.2433 -109723.5672 297.0588 -161412.8105 -109362.0781 298.3462 103.8785 129.1573 762271.5149 -0.3340 -0.3449 LDB: ============= START OF LOAD BALANCING ============== 5198.65 LDB: ============== END OF LOAD BALANCING =============== 5198.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5198.65 LDB: ============= START OF LOAD BALANCING ============== 5198.96 LDB: Largest compute 6985 load 0.029333 is 15.0% of average load 0.194947 LDB: Average compute 0.004402 is 2.3% of average load 0.194947 LDB: TIME 5198.97 LOAD: AVG 0.194947 MAX 0.210738 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.742 MB LDB: TIME 5198.97 LOAD: AVG 0.194947 MAX 0.210738 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.742 MB LDB: TIME 5198.97 LOAD: AVG 0.194947 MAX 0.210738 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.742 MB LDB: ============== END OF LOAD BALANCING =============== 5198.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5198.97 PRESSURE: 1660400 -243.723 21.6125 116.34 21.6128 102.493 -366.716 116.339 -366.717 319.106 GPRESSURE: 1660400 -184.999 -17.4474 54.1531 21.3131 94.7839 -349.559 64.1979 -360.855 339.958 PRESSAVG: 1660400 -46.6999 18.087 49.8973 18.087 53.8212 -38.169 49.8973 -38.169 12.2238 GPRESSAVG: 1660400 -47.2322 17.4353 49.6938 18.9712 53.4821 -39.217 49.954 -38.8338 12.9329 TIMING: 1660400 CPU: 5186.81, 0.00318737/step Wall: 5186.81, 0.00318737/step, 2.95682 hours remaining, 233.742188 MB of memory in use. ENERGY: 1660400 3942.4171 20485.8919 14451.7995 264.4764 -203409.4458 2810.6352 0.0000 0.0000 51572.4820 -109881.7437 296.3878 -161454.2257 -109534.2218 297.6958 59.2921 83.2476 761805.2795 6.4484 6.3943 PRESSURE: 1660600 -47.0206 322.182 -146.687 322.183 -5.79873 -66.8295 -146.686 -66.8295 -426.657 GPRESSURE: 1660600 49.3747 273.43 -185.95 373.301 -65.3165 -150.241 -95.4881 20.3654 -364.175 PRESSAVG: 1660600 22.4231 21.1156 -2.32688 21.1156 6.81051 -57.9239 -2.32694 -57.9239 -7.55344 GPRESSAVG: 1660600 22.3514 20.1236 -2.854 22.6013 9.9584 -56.0358 -4.5875 -59.2684 -9.40276 TIMING: 1660600 CPU: 5187.43, 0.00310849/step Wall: 5187.43, 0.00310849/step, 2.88347 hours remaining, 233.742188 MB of memory in use. ENERGY: 1660600 3989.4014 20398.4489 14386.8128 253.4885 -203263.3588 2482.3192 0.0000 0.0000 51956.1855 -109796.7023 298.5929 -161752.8878 -109439.5887 297.4364 -159.8254 -126.7057 762665.7982 7.2267 7.6357 PRESSURE: 1660800 -183.463 -88.455 -146.215 -88.4559 -386.35 -216.987 -146.216 -216.989 -121.636 GPRESSURE: 1660800 -206.631 -52.278 -116.16 -78.6141 -312.71 -264.624 -91.4553 -237.914 -78.795 PRESSAVG: 1660800 -2.74944 36.3812 -19.9634 36.3812 -3.55963 -56.6759 -19.9634 -56.676 31.8277 GPRESSAVG: 1660800 -2.17776 37.7931 -20.0042 33.4969 -5.10029 -57.9069 -17.3554 -54.5508 32.9425 TIMING: 1660800 CPU: 5188.05, 0.0031101/step Wall: 5188.05, 0.0031101/step, 2.88479 hours remaining, 233.742188 MB of memory in use. ENERGY: 1660800 4069.9338 20227.7705 14384.5452 242.2364 -203543.9397 2706.1775 0.0000 0.0000 52172.6261 -109740.6501 299.8368 -161913.2763 -109372.9120 297.9475 -230.4830 -199.3790 762879.5863 8.5062 8.5548 PRESSURE: 1661000 0.931875 154.528 -91.6102 154.528 20.3411 -227.415 -91.6105 -227.416 -83.6882 GPRESSURE: 1661000 49.6763 124.532 -124.862 64.0776 32.7989 -85.9659 -45.6946 -244.768 -53.849 PRESSAVG: 1661000 49.7409 32.0642 -19.4634 32.0643 -38.2406 -49.5657 -19.4634 -49.5658 19.9925 GPRESSAVG: 1661000 50.4627 31.5672 -20.8317 33.4469 -38.6996 -49.4274 -18.393 -50.8371 19.9886 TIMING: 1661000 CPU: 5188.67, 0.00310676/step Wall: 5188.67, 0.00310676/step, 2.88152 hours remaining, 233.742188 MB of memory in use. ENERGY: 1661000 4039.0303 20389.1114 14408.2190 253.5828 -203516.5634 2905.6868 0.0000 0.0000 51820.3151 -109700.6181 297.8121 -161520.9332 -109339.0520 297.9364 -20.8051 9.5421 763464.1900 10.4976 10.5839 PRESSURE: 1661200 -40.6166 -31.1031 -50.6599 -31.1029 21.2255 24.1776 -50.6608 24.1779 -170.842 GPRESSURE: 1661200 94.1706 12.3689 -72.3546 -108.406 -4.05277 31.595 107.386 73.9097 -184.879 PRESSAVG: 1661200 28.1562 -14.6466 -15.2184 -14.6466 -8.30992 -34.3838 -15.2184 -34.3838 -8.99865 GPRESSAVG: 1661200 28.2312 -14.9278 -13.5436 -14.1319 -8.70266 -35.4789 -17.6508 -32.9521 -8.88903 TIMING: 1661200 CPU: 5189.3, 0.00312542/step Wall: 5189.3, 0.00312542/step, 2.89865 hours remaining, 233.742188 MB of memory in use. ENERGY: 1661200 3930.5563 20439.0218 14421.8271 248.9997 -203026.4093 2586.6382 0.0000 0.0000 51835.2186 -109564.1473 297.8977 -161399.3660 -109202.5303 298.2121 -63.4112 -31.5871 762791.0061 3.6159 3.5465 PRESSURE: 1661400 145.474 12.8336 268.814 12.834 -183.645 -49.4069 268.814 -49.4079 341.111 GPRESSURE: 1661400 156.24 -81.8296 249.23 -14.5186 -163.512 -18.2836 203.004 34.4017 387.783 PRESSAVG: 1661400 40.5745 -20.4662 -28.5464 -20.4661 -51.4269 -45.3052 -28.5464 -45.3052 4.44708 GPRESSAVG: 1661400 40.7255 -20.9634 -29.8126 -20.8332 -51.1291 -44.0362 -28.5411 -46.6673 3.94855 TIMING: 1661400 CPU: 5189.93, 0.00313347/step Wall: 5189.93, 0.00313347/step, 2.90594 hours remaining, 233.742188 MB of memory in use. ENERGY: 1661400 4013.3459 20658.0396 14412.2894 256.9784 -203663.0539 3135.6042 0.0000 0.0000 51679.4566 -109507.3398 297.0025 -161186.7964 -109151.4940 298.2871 100.9801 126.8370 763170.4537 -2.1351 -2.1517 PRESSURE: 1661600 118.486 100.739 115.568 100.738 46.2427 -158.861 115.57 -158.861 -127.092 GPRESSURE: 1661600 196.071 -19.979 34.0786 133 35.6211 -170.53 1.94792 -46.2104 -102.412 PRESSAVG: 1661600 80.8061 -0.743456 16.5319 -0.743497 -53.7508 -103.938 16.5318 -103.938 11.3688 GPRESSAVG: 1661600 80.54 -0.206896 16.4091 -2.54742 -53.8717 -103.999 17.0758 -102.77 11.4183 TIMING: 1661600 CPU: 5190.55, 0.00313205/step Wall: 5190.55, 0.00313205/step, 2.90445 hours remaining, 233.742188 MB of memory in use. ENERGY: 1661600 4008.1014 20328.3395 14371.7292 239.8694 -203376.0011 2889.5416 0.0000 0.0000 52223.2898 -109315.1303 300.1280 -161538.4201 -108945.8186 298.3649 12.5453 43.0934 763954.0571 12.8080 12.6955 PRESSURE: 1661800 -116.707 8.16559 16.0439 8.16625 -177.35 95.8498 16.045 95.8499 143.869 GPRESSURE: 1661800 -136.523 -21.308 12.2271 -92.2553 -153.946 33.2944 21.8385 128.027 211.233 PRESSAVG: 1661800 52.1685 -37.4796 9.40533 -37.4795 -85.7433 -51.3266 9.40525 -51.3266 -3.89563 GPRESSAVG: 1661800 50.6829 -36.0262 10.3894 -37.4383 -85.6007 -52.2578 9.83025 -52.7277 -3.52828 TIMING: 1661800 CPU: 5191.18, 0.00313118/step Wall: 5191.18, 0.00313118/step, 2.90348 hours remaining, 233.742188 MB of memory in use. ENERGY: 1661800 3920.7470 20581.0258 14423.2606 257.6087 -203529.6569 3063.7900 0.0000 0.0000 51937.7322 -109345.4927 298.4869 -161283.2249 -108986.2401 298.6681 -50.0626 -26.4120 763619.7122 -12.4901 -12.8154 PRESSURE: 1662000 -423.23 138.253 -115.78 138.253 89.5294 -216.459 -115.781 -216.459 80.6566 GPRESSURE: 1662000 -317.553 27.9758 -67.3292 92.7525 89.1636 -255.316 -7.45308 -191.668 54.6832 PRESSAVG: 1662000 12.4768 -29.0413 33.0195 -29.0413 2.03631 -84.1937 33.0196 -84.1937 -14.4852 GPRESSAVG: 1662000 12.4217 -32.9065 32.3256 -27.7007 2.66399 -82.8623 33.2666 -83.9636 -14.9553 TIMING: 1662000 CPU: 5191.8, 0.00311551/step Wall: 5191.8, 0.00311551/step, 2.88877 hours remaining, 233.742188 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: 1662000 3972.1813 20535.1072 14392.6963 227.3425 -203337.3881 2850.1701 0.0000 0.0000 52199.5633 -109160.3275 299.9916 -161359.8908 -108795.2038 298.9607 -84.3479 -57.9019 764792.9993 0.0093 0.0435 PRESSURE: 1662200 -302.01 -3.84431 101.15 -3.84377 19.9967 -190.593 101.15 -190.592 -130.138 GPRESSURE: 1662200 -151.716 93.8003 161.002 -111.732 24.258 -133.788 52.8006 -215.347 -201.305 PRESSAVG: 1662200 8.7569 -18.8264 0.00725179 -18.8264 4.68846 -17.2818 0.00724729 -17.2818 -19.3412 GPRESSAVG: 1662200 9.35837 -14.4491 -0.599532 -20.5307 4.48012 -17.7555 0.766478 -17.7027 -18.974 TIMING: 1662200 CPU: 5192.43, 0.00312865/step Wall: 5192.43, 0.00312865/step, 2.90078 hours remaining, 233.742188 MB of memory in use. ENERGY: 1662200 3998.2368 20439.2882 14400.9094 242.1649 -203147.3330 2805.7180 0.0000 0.0000 52106.2945 -109154.7212 299.4556 -161261.0157 -108790.4444 299.1452 -137.3835 -109.5875 765141.6790 -1.9653 -1.7118 PRESSURE: 1662400 380.269 32.2119 -139.34 32.2125 253.774 18.2183 -139.34 18.2181 153.154 GPRESSURE: 1662400 461.097 72.6389 -165.857 188.33 202.267 137.075 -181.706 -69.6394 201.205 PRESSAVG: 1662400 77.1847 -29.6464 -70.21 -29.6465 -75.3424 20.1212 -70.21 20.1213 -25.6675 GPRESSAVG: 1662400 76.7592 -33.174 -68.7628 -26.8955 -75.301 19.9543 -70.5744 21.081 -25.5309 TIMING: 1662400 CPU: 5193.05, 0.00313197/step Wall: 5193.05, 0.00313197/step, 2.90369 hours remaining, 233.742188 MB of memory in use. ENERGY: 1662400 4001.2476 20519.5687 14411.1266 239.2245 -203119.1828 3032.7125 0.0000 0.0000 51792.0834 -109123.2195 297.6498 -160915.3029 -108760.0917 299.4622 262.3988 288.1898 762173.3987 -7.9417 -8.0243 PRESSURE: 1662600 -54.5329 167.246 -147.88 167.245 64.174 -83.3165 -147.878 -83.3168 99.3453 GPRESSURE: 1662600 50.8238 46.7735 -168.173 114.156 61.52 -102.984 -169.312 -110.205 71.109 PRESSAVG: 1662600 28.7614 20.9853 -12.2262 20.9853 -19.9619 -33.4346 -12.2262 -33.4347 -3.68619 GPRESSAVG: 1662600 30.0193 21.2001 -13.1027 20.5784 -20.6655 -33.6863 -13.2096 -34.2381 -3.80445 TIMING: 1662600 CPU: 5193.68, 0.00314753/step Wall: 5193.68, 0.00314753/step, 2.91793 hours remaining, 233.742188 MB of memory in use. ENERGY: 1662600 3984.5588 20551.0866 14434.1424 230.2701 -203132.1980 2659.1051 0.0000 0.0000 52129.6130 -109143.4220 299.5896 -161273.0350 -108776.0062 298.9742 36.3288 61.1509 763785.0545 1.7044 1.8498 PRESSURE: 1662800 37.712 -15.5815 -118.676 -15.5816 -127.858 6.84879 -118.675 6.84843 -111.764 GPRESSURE: 1662800 -16.9081 62.4077 -249.731 -7.2849 -92.7825 -65.3676 -54.5239 -45.3902 -15.2107 PRESSAVG: 1662800 8.61807 33.6997 2.3282 33.6998 1.61304 -14.6626 2.32822 -14.6626 -23.7846 GPRESSAVG: 1662800 7.04391 35.8462 4.15436 32.297 3.58321 -13.5305 1.89709 -13.7262 -23.9116 TIMING: 1662800 CPU: 5194.31, 0.00311174/step Wall: 5194.31, 0.00311175/step, 2.88459 hours remaining, 233.742188 MB of memory in use. ENERGY: 1662800 4088.6734 20537.1839 14461.3370 240.1807 -203114.1601 2760.2767 0.0000 0.0000 51886.8319 -109139.6764 298.1943 -161026.5083 -108772.7582 299.1269 -67.3035 -41.6338 764142.7567 -4.5178 -4.4282 PRESSURE: 1663000 137.068 -0.431716 -4.72681 -0.43201 -208.786 160.908 -4.72669 160.909 413.24 GPRESSURE: 1663000 156.343 -34.8575 26.4868 -107.222 -185.808 173.504 -70.8318 168.63 434.935 PRESSAVG: 1663000 37.4208 -68.6988 22.3852 -68.6988 -23.842 -14.6448 22.3852 -14.6448 15.1132 GPRESSAVG: 1663000 38.7342 -69.7078 20.3852 -69.067 -25.1592 -15.7897 24.2138 -13.5882 15.0252 TIMING: 1663000 CPU: 5194.93, 0.00310956/step Wall: 5194.93, 0.00310956/step, 2.88239 hours remaining, 233.742188 MB of memory in use. ENERGY: 1663000 3924.1165 20594.8439 14398.5765 255.9850 -203263.1745 2894.0132 0.0000 0.0000 52060.9139 -109134.7255 299.1948 -161195.6393 -108773.4647 299.0254 113.8409 135.1568 762241.7548 9.5640 9.5334 PRESSURE: 1663200 -151.181 -152.756 -74.987 -152.757 -180.944 153.304 -74.9871 153.305 -164.457 GPRESSURE: 1663200 -156.784 -130.751 -79.779 -41.1673 -101.037 103.5 -61.2083 139.916 -168.267 PRESSAVG: 1663200 40.3314 -34.1888 1.53017 -34.1888 2.81082 54.2079 1.53017 54.2079 -1.67284 GPRESSAVG: 1663200 39.0018 -34.4723 2.83777 -31.6222 2.36358 54.8378 -0.545056 53.0504 0.00749867 TIMING: 1663200 CPU: 5195.55, 0.00312812/step Wall: 5195.55, 0.00312812/step, 2.89942 hours remaining, 233.742188 MB of memory in use. ENERGY: 1663200 4048.7435 20585.1865 14328.8143 234.3135 -203179.3225 2684.5639 0.0000 0.0000 52190.6687 -109107.0321 299.9405 -161297.7007 -108745.1052 299.7384 -165.5276 -142.0292 762983.5986 13.8231 13.7910 PRESSURE: 1663400 192.777 -175.382 -125.881 -175.382 219.202 -86.3465 -125.883 -86.3461 536.654 GPRESSURE: 1663400 254.762 -234.545 -153.984 -303.244 261.305 -155.722 -52.1444 -105.326 531.156 PRESSAVG: 1663400 -20.0994 45.47 -50.0939 45.4699 -6.50221 20.4697 -50.0938 20.4696 -13.273 GPRESSAVG: 1663400 -20.3788 46.158 -50.2665 43.0347 -5.5233 19.5394 -49.3818 21.5145 -13.7873 TIMING: 1663400 CPU: 5196.18, 0.00314235/step Wall: 5196.18, 0.00314235/step, 2.91243 hours remaining, 233.742188 MB of memory in use. ENERGY: 1663400 3946.2104 20536.3818 14448.9902 249.3342 -203680.5730 3048.7660 0.0000 0.0000 52245.1338 -109205.7565 300.2535 -161450.8903 -108849.3584 299.2817 316.2112 349.0744 764496.7766 -13.2916 -13.2298 PRESSURE: 1663600 355.897 -192.676 -30.935 -192.675 122.049 -159.662 -30.9359 -159.661 15.0205 GPRESSURE: 1663600 281.193 -276.736 -14.4919 -218.305 201.133 -152.57 -39.6187 19.4953 53.0294 PRESSAVG: 1663600 26.7721 -5.72983 -57.716 -5.72981 -23.2947 -41.0078 -57.716 -41.0078 10.9806 GPRESSAVG: 1663600 27.1164 -7.78334 -57.9435 -4.11969 -23.7556 -42.1804 -57.3075 -41.4553 10.7922 TIMING: 1663600 CPU: 5196.81, 0.0031216/step Wall: 5196.81, 0.0031216/step, 2.89303 hours remaining, 233.742188 MB of memory in use. ENERGY: 1663600 3917.7931 20665.1221 14409.5450 243.0800 -203737.5275 3023.5450 0.0000 0.0000 52093.1921 -109385.2501 299.3803 -161478.4423 -109021.6817 299.5236 164.3220 178.4518 763264.9108 4.8193 4.7177 PRESSURE: 1663800 336.689 -1.93244 293.844 -1.93248 -135.175 -44.5526 293.845 -44.5536 10.5856 GPRESSURE: 1663800 376.798 -36.5419 300.345 -116.016 -136.311 -81.137 420.116 108.549 52.2512 PRESSAVG: 1663800 -44.812 -33.0336 -41.9064 -33.0336 66.7808 23.4089 -41.9063 23.4089 -4.0964 GPRESSAVG: 1663800 -43.4428 -33.7714 -41.5129 -31.5193 65.4811 25.3907 -43.9811 23.461 -3.67194 TIMING: 1663800 CPU: 5197.43, 0.00312054/step Wall: 5197.43, 0.00312054/step, 2.89187 hours remaining, 233.742188 MB of memory in use. ENERGY: 1663800 4056.7784 20562.3128 14499.3075 271.0246 -203434.7161 2890.1123 0.0000 0.0000 51970.9672 -109184.2132 298.6779 -161155.1804 -108836.3821 299.3625 70.6996 97.5793 763847.9755 5.9575 6.1221 PRESSURE: 1664000 89.2512 -87.684 -167.276 -87.6836 -285.045 95.9253 -167.276 95.9267 -133.762 GPRESSURE: 1664000 97.4644 -82.1936 -123.366 -95.6592 -161.182 -5.63128 -45.4985 70.1813 -180.818 PRESSAVG: 1664000 -33.8923 -43.2875 3.84005 -43.2876 20.2376 4.7966 3.84008 4.79668 2.77332 GPRESSAVG: 1664000 -34.5532 -42.6643 2.33933 -45.4 20.5177 5.06748 7.1089 4.06161 3.01963 TIMING: 1664000 CPU: 5198.06, 0.00313643/step Wall: 5198.06, 0.00313643/step, 2.90643 hours remaining, 233.742188 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: 1664000 4020.0626 20609.0992 14459.0785 256.7525 -203837.5711 3008.7813 0.0000 0.0000 52152.5843 -109331.2127 299.7216 -161483.7970 -108966.6015 299.4276 -109.8518 -81.5120 762564.8224 -3.6271 -3.6719 PRESSURE: 1664200 10.8871 -73.5695 -31.0871 -73.5689 -150.063 -133.685 -31.0875 -133.685 -406.93 GPRESSURE: 1664200 101.574 -85.2712 52.9278 0.125555 -125.405 -106.599 62.361 -161.554 -436.804 PRESSAVG: 1664200 0.341699 -11.5512 9.16562 -11.5512 -20.5443 -10.9145 9.16568 -10.9145 -4.10592 GPRESSAVG: 1664200 0.339353 -12.6916 8.85587 -11.4292 -20.7369 -10.9171 9.50351 -10.4657 -3.7787 TIMING: 1664200 CPU: 5198.68, 0.00313219/step Wall: 5198.68, 0.00313219/step, 2.90232 hours remaining, 233.742188 MB of memory in use. ENERGY: 1664200 3981.2212 20581.8002 14419.0414 236.6980 -203363.0252 2670.6662 0.0000 0.0000 52184.3026 -109289.2957 299.9039 -161473.5983 -108937.7489 299.2811 -182.0352 -153.5450 763240.4468 -8.1028 -8.0587 LDB: ============= START OF LOAD BALANCING ============== 5211.16 LDB: ============== END OF LOAD BALANCING =============== 5211.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5211.17 LDB: ============= START OF LOAD BALANCING ============== 5211.48 LDB: Largest compute 6985 load 0.028454 is 14.6% of average load 0.195119 LDB: Average compute 0.004392 is 2.3% of average load 0.195119 LDB: TIME 5211.48 LOAD: AVG 0.195119 MAX 0.213215 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.766 MB LDB: TIME 5211.48 LOAD: AVG 0.195119 MAX 0.213215 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.77 MB LDB: TIME 5211.48 LOAD: AVG 0.195119 MAX 0.213215 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.77 MB LDB: ============== END OF LOAD BALANCING =============== 5211.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5211.49 PRESSURE: 1664400 132.827 -95.8558 -91.2158 -95.8552 -89.1464 -54.7296 -91.2161 -54.7293 -21.048 GPRESSURE: 1664400 188.686 -60.9388 -196.755 -54.67 -119.333 -148.772 -94.7113 -29.362 13.384 PRESSAVG: 1664400 10.5103 -13.1072 -13.0914 -13.1071 -34.5151 26.0934 -13.0914 26.0934 -8.58819 GPRESSAVG: 1664400 11.3941 -10.1552 -12.3374 -12.1779 -33.8474 24.1652 -15.1311 28.1767 -10.3158 TIMING: 1664400 CPU: 5199.32, 0.00319118/step Wall: 5199.32, 0.00319118/step, 2.95681 hours remaining, 234.253906 MB of memory in use. ENERGY: 1664400 4068.5870 20576.2323 14428.3249 220.3535 -203599.5888 2892.3097 0.0000 0.0000 52152.5110 -109261.2704 299.7212 -161413.7814 -108889.4651 299.0875 7.5443 27.5789 763176.3945 -10.8643 -10.9230 PRESSURE: 1664600 349.683 -45.1117 -27.1151 -45.1124 169.269 -227.618 -27.1152 -227.618 96.4857 GPRESSURE: 1664600 360.601 -116.615 -89.9505 74.445 188.518 -275.981 37.2255 -127.323 160.764 PRESSAVG: 1664600 -21.4574 -29.9301 -46.8495 -29.93 7.40249 -10.4428 -46.8494 -10.4427 15.9999 GPRESSAVG: 1664600 -20.638 -31.4455 -47.1814 -31.3416 5.6341 -9.65704 -46.3679 -13.2334 17.3423 TIMING: 1664600 CPU: 5199.95, 0.00313463/step Wall: 5199.95, 0.00313463/step, 2.90423 hours remaining, 234.253906 MB of memory in use. ENERGY: 1664600 4013.4723 20597.7306 14489.9749 241.6762 -203592.3303 2849.5768 0.0000 0.0000 51971.3956 -109428.5039 298.6803 -161399.8995 -109063.0100 299.1071 205.1458 236.6279 761526.7744 0.6483 0.7794 PRESSURE: 1664800 -39.2149 31.4519 -127.963 31.452 -276.615 310.538 -127.963 310.539 3.65924 GPRESSURE: 1664800 -2.63246 1.51489 -49.7965 -42.0816 -196.848 274.007 -74.1845 266.065 -36.6227 PRESSAVG: 1664800 -37.5789 24.3496 -55.9483 24.3496 -8.58082 -3.97138 -55.9482 -3.97145 0.13017 GPRESSAVG: 1664800 -39.0755 24.8223 -56.0515 24.8303 -7.26885 -4.80482 -56.217 -4.06761 0.453652 TIMING: 1664800 CPU: 5200.58, 0.00313382/step Wall: 5200.58, 0.00313382/step, 2.90331 hours remaining, 234.253906 MB of memory in use. ENERGY: 1664800 3943.6014 20730.3495 14501.6928 253.6923 -203246.0696 2502.6872 0.0000 0.0000 52149.8115 -109164.2348 299.7057 -161314.0463 -108792.8294 299.0492 -104.0568 -78.7010 761238.4225 -15.3432 -15.2969 PRESSURE: 1665000 -298.778 83.8847 23.2151 83.885 79.7264 88.7855 23.2151 88.785 224.442 GPRESSURE: 1665000 -272.58 -28.3681 -68.1192 190.378 117.361 26.1815 -21.5336 150.155 249.387 PRESSAVG: 1665000 8.88533 8.41749 -22.1141 8.41758 -12.2261 54.5377 -22.114 54.5378 4.58571 GPRESSAVG: 1665000 10.1659 7.90921 -22.4725 6.7564 -12.9781 55.4588 -21.459 55.5769 3.90702 TIMING: 1665000 CPU: 5201.2, 0.0031305/step Wall: 5201.2, 0.0031305/step, 2.90006 hours remaining, 234.253906 MB of memory in use. ENERGY: 1665000 4011.1705 20627.4890 14415.0435 250.4181 -203501.1032 2846.3077 0.0000 0.0000 52208.2619 -109142.4125 300.0416 -161350.6744 -108776.5991 299.3796 1.7968 31.3892 762424.1652 0.4150 0.3649 PRESSURE: 1665200 137.598 91.564 -224.199 91.5633 232.577 -87.2524 -224.199 -87.2528 151.761 GPRESSURE: 1665200 203.887 188.392 -123.641 -9.16453 178.248 -91.4785 -122.29 -145.685 222.874 PRESSAVG: 1665200 -36.0758 -6.3587 61.7029 -6.35868 27.3774 -4.82918 61.7029 -4.82917 -5.71999 GPRESSAVG: 1665200 -37.3906 -5.23184 63.2808 -4.95885 27.9301 -5.75386 62.252 -5.48531 -4.85527 TIMING: 1665200 CPU: 5201.83, 0.00311945/step Wall: 5201.83, 0.00311945/step, 2.88965 hours remaining, 234.253906 MB of memory in use. ENERGY: 1665200 4013.1442 20613.8976 14425.7863 277.1561 -203404.7453 2971.3784 0.0000 0.0000 52019.8652 -109083.5176 298.9589 -161103.3828 -108729.5012 299.6563 173.9790 201.6699 762902.2769 -4.8061 -4.7719 PRESSURE: 1665400 27.8631 -24.3921 -178.444 -24.3923 -104.648 71.2484 -178.444 71.2487 -55.8266 GPRESSURE: 1665400 -0.519022 74.6195 -156.931 12.4666 -73.6363 87.0127 -75.2736 -13.0714 36.2989 PRESSAVG: 1665400 -21.2707 -18.9197 -26.3483 -18.9198 24.0974 8.90949 -26.3483 8.9095 20.8388 GPRESSAVG: 1665400 -20.8379 -21.0205 -26.719 -19.0407 23.6988 10.0671 -26.893 9.33338 21.0354 TIMING: 1665400 CPU: 5202.45, 0.0031164/step Wall: 5202.45, 0.0031164/step, 2.88665 hours remaining, 234.253906 MB of memory in use. ENERGY: 1665400 4028.1714 20457.3007 14497.5763 254.8766 -203319.2742 2780.9133 0.0000 0.0000 52112.0170 -109188.4188 299.4885 -161300.4358 -108826.4120 299.4344 -44.2038 -12.6188 761509.2223 7.8885 7.9654 PRESSURE: 1665600 -67.4685 89.9114 -253.152 89.9115 -11.7536 -29.0248 -253.152 -29.0249 -24.0283 GPRESSURE: 1665600 -106.624 131.396 -274.565 93.1561 105.918 -65.7864 -247.514 47.0816 -19.6466 PRESSAVG: 1665600 -8.01195 -11.9455 -14.4897 -11.9455 6.83301 11.7664 -14.4896 11.7664 18.1706 GPRESSAVG: 1665600 -8.3916 -9.88087 -15.8153 -11.4964 7.17522 12.7888 -15.2579 10.1335 18.0489 TIMING: 1665600 CPU: 5203.08, 0.00313321/step Wall: 5203.08, 0.00313321/step, 2.90205 hours remaining, 234.253906 MB of memory in use. ENERGY: 1665600 3919.6879 20582.3403 14450.0263 234.9330 -202797.0054 2375.8074 0.0000 0.0000 51860.0879 -109374.1226 298.0406 -161234.2105 -109000.6777 298.7985 -34.4168 -6.7842 763087.3004 5.6639 5.6109 PRESSURE: 1665800 -152.692 16.5656 -150.234 16.5657 -389.839 -82.773 -150.234 -82.7715 307.474 GPRESSURE: 1665800 -117.422 -84.9121 -103.73 94.6803 -290.222 -17.3234 -14.135 -61.7188 283.102 PRESSAVG: 1665800 12.1264 2.97251 9.46633 2.9724 19.7755 -16.3124 9.4663 -16.3123 2.34898 GPRESSAVG: 1665800 11.8777 3.43894 10.4277 1.19573 21.292 -16.6873 9.36565 -15.976 1.58705 TIMING: 1665800 CPU: 5203.7, 0.00313247/step Wall: 5203.7, 0.00313247/step, 2.90119 hours remaining, 234.253906 MB of memory in use. ENERGY: 1665800 4041.1474 20585.2410 14506.8531 236.3403 -203159.8209 2605.3681 0.0000 0.0000 52056.4861 -109128.3850 299.1693 -161184.8711 -108770.6163 298.9649 -78.3523 -41.5140 761960.5945 11.4170 11.5856 PRESSURE: 1666000 375.867 -9.49581 118.199 -9.49441 170.628 -11.872 118.199 -11.8711 425.399 GPRESSURE: 1666000 343.068 85.7825 135.111 -38.2867 237.654 11.1274 58.4236 -165.103 471.984 PRESSAVG: 1666000 -1.03005 5.481 13.0976 5.48098 -43.2236 -22.3475 13.0976 -22.3476 -2.37779 GPRESSAVG: 1666000 -0.830407 7.16238 13.0627 6.10543 -44.3331 -23.2594 13.9744 -23.1967 -1.59945 TIMING: 1666000 CPU: 5204.33, 0.00313995/step Wall: 5204.33, 0.00313995/step, 2.90794 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1666000 3966.3625 20385.3133 14497.7294 242.8185 -203523.2166 2995.8096 0.0000 0.0000 52259.8264 -109175.3568 300.3379 -161435.1832 -108806.6537 299.3515 323.9648 350.9017 761448.0440 -15.5438 -15.5877 PRESSURE: 1666200 -131.889 149.918 -24.2298 149.918 -65.0712 -101.456 -24.2298 -101.455 137.758 GPRESSURE: 1666200 -124.442 132.942 -42.2137 58.7507 37.176 -149.006 14.126 -75.5858 102.048 PRESSAVG: 1666200 -36.8609 20.2705 -15.3504 20.2706 35.9837 0.820589 -15.3504 0.820549 -26.3225 GPRESSAVG: 1666200 -37.164 17.6297 -13.9081 20.3773 36.7986 0.116331 -17.091 2.54275 -27.1884 TIMING: 1666200 CPU: 5204.96, 0.00317131/step Wall: 5204.96, 0.00317131/step, 2.93681 hours remaining, 234.253906 MB of memory in use. ENERGY: 1666200 4085.0745 20752.7351 14386.1838 247.5012 -203662.4191 2920.9505 0.0000 0.0000 52115.3562 -109154.6178 299.5077 -161269.9741 -108793.0182 299.1646 -19.7340 4.9273 762136.5640 -9.0666 -9.1846 PRESSURE: 1666400 190.775 -155.57 -24.0487 -155.57 148.179 -38.8593 -24.0491 -38.8581 -86.1538 GPRESSURE: 1666400 200.819 -72.9668 -81.191 -106.369 136.52 -34.7809 91.1971 85.6373 3.1611 PRESSAVG: 1666400 47.8293 35.7403 -108.173 35.7403 8.12842 31.843 -108.173 31.8431 24.0168 GPRESSAVG: 1666400 47.6887 35.4361 -109.897 38.0878 8.04476 33.6928 -103.558 31.4272 24.7198 TIMING: 1666400 CPU: 5205.59, 0.00313868/step Wall: 5205.59, 0.00313868/step, 2.90642 hours remaining, 234.253906 MB of memory in use. ENERGY: 1666400 3961.0446 20673.4109 14440.9994 253.5365 -203050.9388 2748.9227 0.0000 0.0000 52080.9695 -108892.0553 299.3100 -160973.0248 -108543.7383 299.5624 84.2665 113.5000 763274.2750 26.6582 26.8177 PRESSURE: 1666600 457.551 -18.0899 1.53266 -18.0897 -198.517 -128.973 1.53265 -128.973 -118.182 GPRESSURE: 1666600 409.384 -73.864 -22.4433 -2.75897 -144.471 -85.9437 25.4478 -164.762 -37.4617 PRESSAVG: 1666600 -18.4267 -2.34246 -22.9639 -2.34251 14.7794 32.3393 -22.9639 32.3393 -9.70515 GPRESSAVG: 1666600 -18.4653 -2.01252 -21.9921 -2.78668 14.6632 31.5928 -25.5269 34.1588 -9.77886 TIMING: 1666600 CPU: 5206.22, 0.00313495/step Wall: 5206.22, 0.00313495/step, 2.90279 hours remaining, 234.253906 MB of memory in use. ENERGY: 1666600 3889.3868 20517.7480 14370.2239 244.5700 -203094.9161 2716.9829 0.0000 0.0000 52493.8197 -108862.1849 301.6827 -161356.0046 -108483.7682 300.3236 46.9506 75.8173 762974.2550 -4.4508 -4.5270 PRESSURE: 1666800 -724.596 174.573 210.927 174.573 -109.165 27.0582 210.927 27.0581 -214.546 GPRESSURE: 1666800 -675.034 145.155 139.077 69.0688 -137.722 -14.0254 116.172 46.9175 -155.803 PRESSAVG: 1666800 -11.2163 21.2258 8.14182 21.2259 -15.6686 2.3587 8.14177 2.35869 1.78221 GPRESSAVG: 1666800 -11.6547 22.0138 7.58115 16.6894 -14.6675 2.17514 7.93687 2.24192 1.12363 TIMING: 1666800 CPU: 5206.85, 0.00313836/step Wall: 5206.85, 0.00313836/step, 2.90577 hours remaining, 234.253906 MB of memory in use. ENERGY: 1666800 4047.6235 20635.4797 14391.2745 260.4027 -202516.5867 2269.3308 0.0000 0.0000 52050.1069 -108862.3686 299.1327 -160912.4756 -108498.8529 300.0503 -349.4357 -322.8531 761527.5775 -8.3676 -8.3995 PRESSURE: 1667000 -52.2132 -45.6906 -8.1687 -45.6906 100.948 83.7348 -8.17009 83.7341 61.4088 GPRESSURE: 1667000 -133.887 -74.5745 26.7987 60.5685 131.885 35.3105 -12.0811 87.523 181.586 PRESSAVG: 1667000 35.7227 53.745 -38.6248 53.745 -6.96968 -16.8244 -38.6248 -16.8242 5.96156 GPRESSAVG: 1667000 36.2471 53.504 -37.4618 56.2273 -6.85855 -17.6862 -38.54 -16.919 5.26874 TIMING: 1667000 CPU: 5207.47, 0.00312978/step Wall: 5207.47, 0.00312978/step, 2.89765 hours remaining, 234.253906 MB of memory in use. ENERGY: 1667000 3998.6845 20842.4777 14410.9586 271.9476 -202986.1883 2544.0366 0.0000 0.0000 52153.2569 -108764.8263 299.7255 -160918.0832 -108401.9811 300.3697 36.7146 59.8614 761793.2837 11.5715 11.5524 PRESSURE: 1667200 -132.079 -34.4644 63.0404 -34.4649 167.71 33.0401 63.0391 33.0425 583.023 GPRESSURE: 1667200 -87.0194 56.4558 119.687 -99.7967 216.78 -78.287 62.8926 3.73998 576.856 PRESSAVG: 1667200 -45.1117 30.4419 -46.7062 30.442 8.02535 -26.2793 -46.7063 -26.2793 15.6128 GPRESSAVG: 1667200 -44.9265 28.8484 -46.5756 30.9491 6.87228 -26.1358 -46.6917 -26.9235 16.7675 TIMING: 1667200 CPU: 5208.11, 0.00316348/step Wall: 5208.11, 0.00316348/step, 2.92868 hours remaining, 234.253906 MB of memory in use. ENERGY: 1667200 3974.7122 20624.9976 14479.1598 254.9716 -202977.1490 2681.7378 0.0000 0.0000 52295.9556 -108665.6145 300.5456 -160961.5701 -108310.1347 300.5199 206.2178 235.5388 762049.2648 -7.1579 -7.0956 PRESSURE: 1667400 -66.4863 52.8903 -14.6853 52.8891 73.0653 1.60662 -14.6853 1.60541 -117.216 GPRESSURE: 1667400 7.39379 -69.6965 -55.0695 -13.5493 8.72736 -27.4638 132.919 -24.4385 -39.084 PRESSAVG: 1667400 17.4759 5.12039 -42.3723 5.12044 25.7719 -5.967 -42.3724 -5.967 -20.6217 GPRESSAVG: 1667400 16.9316 4.44894 -42.9274 4.38538 25.608 -6.02025 -42.0718 -6.36123 -20.5407 TIMING: 1667400 CPU: 5208.73, 0.00311442/step Wall: 5208.73, 0.00311442/step, 2.88308 hours remaining, 234.253906 MB of memory in use. ENERGY: 1667400 4027.7724 20757.5098 14386.0338 247.8395 -203083.2461 2667.7583 0.0000 0.0000 52217.0287 -108779.3037 300.0920 -160996.3324 -108415.3224 300.0956 -36.8790 -7.6543 762608.1854 7.5420 7.3330 PRESSURE: 1667600 -353.197 48.6561 -251.622 48.6564 -118.835 -166.652 -251.622 -166.652 -159.228 GPRESSURE: 1667600 -235.645 39.0444 -365.592 30.8635 -119.141 -186.1 -121.733 -115.849 -180.816 PRESSAVG: 1667600 7.2578 5.01223 -54.2103 5.01235 2.97801 -4.90973 -54.2102 -4.90962 3.55406 GPRESSAVG: 1667600 7.92355 6.05013 -54.8326 4.57424 3.76862 -6.44794 -53.5213 -4.66714 2.20518 TIMING: 1667600 CPU: 5209.36, 0.00314282/step Wall: 5209.36, 0.00314282/step, 2.9092 hours remaining, 234.253906 MB of memory in use. ENERGY: 1667600 4022.3230 20714.0230 14385.0383 277.5358 -203153.9553 2762.1301 0.0000 0.0000 52199.4402 -108793.4649 299.9909 -160992.9051 -108435.1913 300.8513 -210.4201 -178.5340 762300.0575 4.5966 4.6324 PRESSURE: 1667800 27.3101 65.2957 60.9079 65.2965 -463.241 -40.2788 60.9081 -40.2768 -273.894 GPRESSURE: 1667800 6.62289 32.7387 124.792 113.822 -425.009 1.7544 -151.639 -117.247 -229.238 PRESSAVG: 1667800 44.974 15.5351 -1.72117 15.5351 18.1492 41.1159 -1.7211 41.1159 10.3356 GPRESSAVG: 1667800 44.6546 16.0214 -2.17701 16.1698 17.5944 42.6802 -1.36912 40.6317 11.0711 TIMING: 1667800 CPU: 5209.98, 0.00311307/step Wall: 5209.98, 0.00311307/step, 2.88149 hours remaining, 234.253906 MB of memory in use. ENERGY: 1667800 3991.0681 20470.3849 14422.2543 248.6796 -202625.9731 2307.8191 0.0000 0.0000 52251.5404 -108934.2267 300.2903 -161185.7671 -108565.6208 300.0011 -236.6085 -215.8747 762561.9270 24.4863 24.4400 PRESSURE: 1668000 0.613203 121.85 26.1056 121.85 -123.276 16.9585 26.106 16.9588 -249.161 GPRESSURE: 1668000 -33.8294 122.9 5.78714 72.2211 -93.954 -21.7707 -27.4874 36.8613 -158.087 PRESSAVG: 1668000 22.7394 4.53808 10.2008 4.53808 -16.7584 25.0333 10.2008 25.0333 1.70116 GPRESSAVG: 1668000 22.3626 4.05359 10.8934 2.89818 -17.2419 24.1757 9.15479 25.8918 2.39973 TIMING: 1668000 CPU: 5210.61, 0.0031307/step Wall: 5210.61, 0.0031307/step, 2.89763 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1668000 4026.1857 20416.2277 14482.5580 251.1043 -202999.3579 2747.4344 0.0000 0.0000 52114.4703 -108961.3774 299.5026 -161075.8477 -108604.0680 299.9268 -123.9415 -95.2903 761086.8666 2.5607 2.5068 PRESSURE: 1668200 1.55788 242.641 42.051 242.641 -177.573 77.556 42.0519 77.5557 -320.278 GPRESSURE: 1668200 -24.9823 149.539 -42.3417 281.437 -66.3269 150.245 140.538 53.6937 -309.48 PRESSAVG: 1668200 28.6306 32.6545 -9.69454 32.6545 -44.128 43.1239 -9.69444 43.1239 -14.8781 GPRESSAVG: 1668200 29.0028 33.2709 -10.5358 33.6785 -43.8418 43.4969 -10.4809 42.9766 -16.0265 TIMING: 1668200 CPU: 5211.23, 0.00311477/step Wall: 5211.23, 0.00311477/step, 2.88272 hours remaining, 234.253906 MB of memory in use. ENERGY: 1668200 4066.5069 20349.2641 14447.3405 234.0794 -203004.7765 2928.8075 0.0000 0.0000 52100.3522 -108878.4258 299.4214 -160978.7781 -108520.1838 299.9681 -165.4311 -133.5964 761233.8826 -10.1252 -10.2885 LDB: ============= START OF LOAD BALANCING ============== 5223.71 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5223.71 LDB: =============== DONE WITH MIGRATION ================ 5223.71 LDB: ============= START OF LOAD BALANCING ============== 5224.02 LDB: Largest compute 6985 load 0.028922 is 14.8% of average load 0.195075 LDB: Average compute 0.004402 is 2.3% of average load 0.195075 LDB: TIME 5224.03 LOAD: AVG 0.195075 MAX 0.212048 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.676 MB LDB: TIME 5224.03 LOAD: AVG 0.195075 MAX 0.212048 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.879 MB LDB: TIME 5224.03 LOAD: AVG 0.195075 MAX 0.212048 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.879 MB LDB: ============== END OF LOAD BALANCING =============== 5224.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5224.03 PRESSURE: 1668400 216.978 -93.949 -68.6804 -93.9492 384.052 -254.241 -68.6802 -254.241 -202.424 GPRESSURE: 1668400 296.403 -21.7764 -31.7097 -121.045 395.37 -267.808 -97.689 -95.7447 -177.279 PRESSAVG: 1668400 33.9793 8.67978 9.41045 8.67975 -35.1581 8.82342 9.41041 8.82339 -16.3012 GPRESSAVG: 1668400 32.7737 7.28448 9.83712 9.82639 -34.6261 8.19569 10.0229 8.84038 -14.3286 TIMING: 1668400 CPU: 5211.87, 0.00319103/step Wall: 5211.87, 0.00319102/step, 2.95311 hours remaining, 235.332031 MB of memory in use. ENERGY: 1668400 4016.1630 20489.7427 14405.3448 243.4847 -203455.5684 3101.3283 0.0000 0.0000 52165.7982 -109033.7066 299.7976 -161199.5048 -108681.1653 299.8123 132.8686 171.4979 761349.3887 -5.8267 -5.3937 PRESSURE: 1668600 96.7877 80.5339 183.088 80.5338 304.776 177.675 183.088 177.674 -8.04501 GPRESSURE: 1668600 257.258 123.361 167.693 47.2017 214.495 216.465 151.226 153.635 1.59687 PRESSAVG: 1668600 28.5114 -45.7326 12.2263 -45.7325 -93.3383 -13.7439 12.2263 -13.7438 4.87645 GPRESSAVG: 1668600 30.2079 -44.7733 11.0054 -47.0089 -93.5442 -11.8909 12.8466 -15.1308 2.91706 TIMING: 1668600 CPU: 5212.49, 0.00311606/step Wall: 5212.49, 0.00311606/step, 2.88357 hours remaining, 235.332031 MB of memory in use. ENERGY: 1668600 3853.8002 20457.7467 14414.4398 228.2746 -202836.7539 2624.8659 0.0000 0.0000 52154.0237 -109103.6028 299.7299 -161257.6265 -108725.5824 299.4003 131.1728 157.7833 763479.4095 -19.9835 -20.1398 PRESSURE: 1668800 34.1946 -105.18 167.373 -105.18 60.3363 -26.7717 167.373 -26.7706 -28.1089 GPRESSURE: 1668800 -98.0463 -77.4435 119.346 -104.81 123.164 -121.875 82.5368 7.25654 84.6989 PRESSAVG: 1668800 14.9125 -34.6516 -21.1452 -34.6516 -16.9578 0.515525 -21.1451 0.515529 10.3879 GPRESSAVG: 1668800 15.0071 -34.274 -19.6113 -34.8835 -15.4671 0.0244672 -22.796 0.895096 9.34262 TIMING: 1668800 CPU: 5213.11, 0.00311337/step Wall: 5213.11, 0.00311337/step, 2.88091 hours remaining, 235.332031 MB of memory in use. ENERGY: 1668800 3949.6306 20565.7219 14364.9478 236.1135 -203361.2759 2766.6829 0.0000 0.0000 52477.9864 -109000.1928 301.5917 -161478.1792 -108618.8344 299.9162 22.1406 36.6056 762819.5766 2.7809 2.9609 PRESSURE: 1669000 107.065 -295.208 -16.0334 -295.208 -60.411 3.33892 -16.0328 3.33863 584.163 GPRESSURE: 1669000 171.236 -287.071 20.3036 -214.091 -76.3865 110.932 143.606 25.6674 608.639 PRESSAVG: 1669000 33.3986 -52.0195 -2.05393 -52.0194 -60.9984 8.84442 -2.05397 8.84445 12.8811 GPRESSAVG: 1669000 32.6088 -51.8292 -2.02799 -51.2784 -62.204 8.92881 -1.94284 10.4234 14.9491 TIMING: 1669000 CPU: 5213.74, 0.00312145/step Wall: 5213.74, 0.00312145/step, 2.8882 hours remaining, 235.332031 MB of memory in use. ENERGY: 1669000 3949.5232 20580.0408 14395.0909 241.6023 -203145.0542 2641.0911 0.0000 0.0000 52246.9402 -109090.7655 300.2639 -161337.7057 -108711.3699 300.0481 210.2723 234.4961 762676.9454 -4.9062 -4.8820 PRESSURE: 1669200 47.3936 72.4753 119.707 72.4755 -406.19 29.5976 119.707 29.5977 -62.6869 GPRESSURE: 1669200 22.3955 -2.41225 204.51 228.025 -380.691 52.6018 78.3833 25.0736 24.3725 PRESSAVG: 1669200 -22.1151 5.41285 70.4131 5.41276 -13.6024 26.7539 70.4131 26.7539 -34.1312 GPRESSAVG: 1669200 -20.6656 4.99766 71.4614 5.66083 -14.7087 27.3053 70.1532 25.1911 -34.116 TIMING: 1669200 CPU: 5214.36, 0.00313005/step Wall: 5214.36, 0.00313005/step, 2.89599 hours remaining, 235.332031 MB of memory in use. ENERGY: 1669200 3956.1998 20462.8922 14474.4811 244.1596 -203068.4373 2739.6953 0.0000 0.0000 52123.2486 -109067.7606 299.5530 -161191.0093 -108703.5421 299.8063 -140.4943 -111.3076 763756.0167 -23.2829 -23.1635 PRESSURE: 1669400 -154.955 -117.95 89.6053 -117.95 -253.64 -48.8196 89.6054 -48.8195 -435.708 GPRESSURE: 1669400 -50.5155 -166.066 18.6648 -157.908 -272.825 -61.6403 158.308 -85.7825 -441.452 PRESSAVG: 1669400 -20.1501 -3.89839 6.13936 -3.89833 -21.1736 -10.4126 6.13929 -10.4125 -5.51047 GPRESSAVG: 1669400 -21.1419 -5.65199 5.18926 -2.83494 -19.0956 -11.1742 6.37541 -10.7246 -6.59727 TIMING: 1669400 CPU: 5214.99, 0.00311958/step Wall: 5214.99, 0.00311958/step, 2.88613 hours remaining, 235.332031 MB of memory in use. ENERGY: 1669400 3944.8384 20415.5964 14389.3562 243.3086 -203406.6474 2820.0427 0.0000 0.0000 52495.7358 -109097.7693 301.6937 -161593.5052 -108734.9687 299.9566 -281.4343 -254.9309 761754.3831 -15.6114 -15.6116 PRESSURE: 1669600 -11.7045 77.1974 129.096 77.1963 -281.705 102.124 129.096 102.124 -180.628 GPRESSURE: 1669600 33.8942 173.211 96.8681 88.3669 -246.998 162.116 105.064 228.156 -171.712 PRESSAVG: 1669600 -16.4171 -21.8308 14.4884 -21.8308 -14.8454 11.895 14.4884 11.8949 -2.36338 GPRESSAVG: 1669600 -15.5861 -20.9206 13.8641 -22.928 -17.3132 11.7285 14.7878 11.7026 -0.586323 TIMING: 1669600 CPU: 5215.61, 0.00311289/step Wall: 5215.61, 0.00311289/step, 2.87977 hours remaining, 235.332031 MB of memory in use. ENERGY: 1669600 3983.8507 20580.6308 14484.1179 247.4300 -202859.9527 2418.5575 0.0000 0.0000 52133.6852 -109011.6805 299.6130 -161145.3657 -108644.0209 299.8759 -158.0128 -128.2718 763397.8587 -11.2086 -11.1619 PRESSURE: 1669800 -129.576 123.966 290.831 123.966 -439.747 169.135 290.831 169.135 361.551 GPRESSURE: 1669800 -69.6857 -65.291 206.906 161.803 -362.811 129.99 87.6792 128.355 328.672 PRESSAVG: 1669800 12.932 -37.6509 27.5833 -37.6509 -11.0169 -7.33485 27.5834 -7.33482 -8.05335 GPRESSAVG: 1669800 11.804 -38.7872 28.9347 -36.6315 -9.71962 -7.35221 27.3138 -7.09183 -8.03427 TIMING: 1669800 CPU: 5216.23, 0.00311954/step Wall: 5216.23, 0.00311954/step, 2.88575 hours remaining, 235.332031 MB of memory in use. ENERGY: 1669800 4017.3437 20468.3766 14393.7051 244.3486 -203465.8449 2772.2963 0.0000 0.0000 52288.8353 -109280.9394 300.5047 -161569.7747 -108911.0399 298.9357 -69.2573 -34.6083 761015.3321 -2.0461 -1.9833 PRESSURE: 1670000 -384.787 -74.841 -224.441 -74.8411 73.0716 64.3868 -224.441 64.3873 -140.14 GPRESSURE: 1670000 -305.011 -134.361 -262.617 4.40004 51.1412 134.198 -137.93 -2.81785 -105.681 PRESSAVG: 1670000 18.0348 -10.0127 15.5251 -10.0127 -10.7346 20.5363 15.5251 20.5364 20.6676 GPRESSAVG: 1670000 18.3104 -8.33418 14.652 -12.476 -10.0637 21.7806 16.7145 19.4218 19.4922 TIMING: 1670000 CPU: 5216.86, 0.00312628/step Wall: 5216.86, 0.00312628/step, 2.89181 hours remaining, 235.332031 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: 1670000 4006.3509 20464.9267 14412.7930 228.0384 -203574.1563 2969.1029 0.0000 0.0000 52117.3525 -109375.5919 299.5191 -161492.9444 -109019.0570 299.1060 -150.6185 -119.8505 763389.8967 9.3226 9.2463 PRESSURE: 1670200 513.358 -143.231 -2.40921 -143.231 -197.539 26.3973 -2.4094 26.3973 72.0835 GPRESSURE: 1670200 449.964 -173.618 -18.5861 -155.258 -105.943 142.262 30.6208 56.7741 114.079 PRESSAVG: 1670200 -3.74655 -20.1131 -27.9821 -20.1132 -11.9531 -25.4864 -27.9821 -25.4864 11.3449 GPRESSAVG: 1670200 -3.69142 -22.2981 -26.863 -20.0418 -12.5604 -28.1077 -28.0458 -22.8992 11.4715 TIMING: 1670200 CPU: 5217.49, 0.00313788/step Wall: 5217.49, 0.00313788/step, 2.90237 hours remaining, 235.332031 MB of memory in use. ENERGY: 1670200 3881.1451 20380.3343 14460.8420 238.0142 -203162.6844 2742.6463 0.0000 0.0000 52104.5621 -109355.1404 299.4456 -161459.7025 -108989.0503 298.7511 129.3007 152.7000 762665.3562 -1.4516 -1.5934 PRESSURE: 1670400 -1.75011 -152.226 -152.527 -152.227 49.8277 89.3136 -152.528 89.313 -242.453 GPRESSURE: 1670400 53.1482 -129.602 -166.226 -27.4645 60.4485 131.615 -136.461 43.4408 -220.981 PRESSAVG: 1670400 -3.0969 25.5589 9.99493 25.5589 66.8005 -66.9142 9.99494 -66.9141 -11.5323 GPRESSAVG: 1670400 -3.56888 26.6404 9.28431 27.2901 66.3697 -65.7923 9.92436 -69.6734 -11.138 TIMING: 1670400 CPU: 5218.11, 0.00310271/step Wall: 5218.11, 0.00310271/step, 2.86966 hours remaining, 235.332031 MB of memory in use. ENERGY: 1670400 3969.0841 20676.1048 14435.9291 275.3786 -203561.0037 2926.3405 0.0000 0.0000 52030.4825 -109247.6842 299.0199 -161278.1666 -108880.6396 299.6026 -64.7917 -35.7947 761369.8708 17.3904 17.2209 PRESSURE: 1670600 -9.20171 87.5458 261.272 87.545 -145.133 -109.717 261.272 -109.717 66.8685 GPRESSURE: 1670600 41.7766 29.5921 209.54 56.8954 -155.571 -110.48 332.18 -68.6811 125.362 PRESSAVG: 1670600 -35.4479 25.5299 61.8445 25.5299 20.2452 -37.6442 61.8445 -37.6441 14.2438 GPRESSAVG: 1670600 -36.0944 25.2326 61.7607 24.5499 20.4827 -37.8779 61.8852 -34.264 14.5289 TIMING: 1670600 CPU: 5218.73, 0.00310295/step Wall: 5218.73, 0.00310295/step, 2.86971 hours remaining, 235.332031 MB of memory in use. ENERGY: 1670600 3932.4789 20716.5037 14546.4016 246.7039 -203346.3359 2611.1556 0.0000 0.0000 52038.7356 -109254.3566 299.0673 -161293.0921 -108890.5687 298.9284 -29.1554 3.8559 762030.2344 -0.3197 -0.3609 PRESSURE: 1670800 -274.922 156.318 -9.49126 156.317 -303.728 96.0526 -9.49183 96.052 -200.264 GPRESSURE: 1670800 -248.214 100.349 4.31871 88.3284 -228.422 106.25 20.489 24.4835 -214.964 PRESSAVG: 1670800 0.796246 -11.4674 8.61352 -11.4674 -27.5625 -7.60833 8.61361 -7.60831 12.62 GPRESSAVG: 1670800 1.81727 -10.788 7.98333 -11.3118 -28.0975 -8.77189 9.61046 -8.44664 11.8626 TIMING: 1670800 CPU: 5219.35, 0.00310903/step Wall: 5219.35, 0.00310903/step, 2.87516 hours remaining, 235.332031 MB of memory in use. ENERGY: 1670800 4036.7725 20548.9370 14452.9357 240.3631 -203051.4144 2459.8703 0.0000 0.0000 52133.8522 -109178.6837 299.6140 -161312.5359 -108813.0080 299.6824 -259.6379 -230.5334 762228.5009 -4.7154 -4.8059 PRESSURE: 1671000 -66.8778 343.139 67.936 343.139 119.076 5.76825 67.9351 5.76877 164.359 GPRESSURE: 1671000 -141.535 297.03 81.6316 309.889 168.197 55.3527 59.2945 -39.2887 280.98 PRESSAVG: 1671000 -7.53083 56.8156 17.2313 56.8156 8.55501 4.28554 17.2314 4.28553 -0.402556 GPRESSAVG: 1671000 -8.0339 56.1286 17.1174 57.8006 9.90612 5.37284 15.666 1.31553 -1.17453 TIMING: 1671000 CPU: 5219.97, 0.00311387/step Wall: 5219.97, 0.00311387/step, 2.87947 hours remaining, 235.332031 MB of memory in use. ENERGY: 1671000 3955.2500 20437.4016 14476.0338 255.0435 -203687.2180 2881.2217 0.0000 0.0000 52244.8450 -109437.4223 300.2518 -161682.2674 -109069.5708 299.2147 72.1857 102.5473 762690.2592 0.2072 0.2326 PRESSURE: 1671200 -323.082 130.313 77.2688 130.313 -39.8176 57.4673 77.269 57.4672 -96.1711 GPRESSURE: 1671200 -270.014 127.358 95.9459 89.0037 -11.3061 39.5452 176.133 -59.0252 -81.3532 PRESSAVG: 1671200 -9.71506 18.1322 17.6466 18.1323 8.98122 -4.27195 17.6466 -4.27198 9.9511 GPRESSAVG: 1671200 -9.22907 17.2994 18.8477 18.2981 8.69924 -4.65643 18.8633 -1.1437 10.071 TIMING: 1671200 CPU: 5220.6, 0.00312754/step Wall: 5220.6, 0.00312754/step, 2.89194 hours remaining, 235.332031 MB of memory in use. ENERGY: 1671200 3968.6679 20534.4038 14425.9728 226.4680 -202964.3483 2288.0088 0.0000 0.0000 52118.5939 -109402.2330 299.5263 -161520.8270 -109031.1906 298.5902 -153.0235 -120.8909 762678.4331 3.0724 3.1804 PRESSURE: 1671400 51.1236 -173.331 -179.146 -173.331 -59.6371 -2.47388 -179.146 -2.47394 31.3272 GPRESSURE: 1671400 18.7249 -64.7373 -175.683 -106.819 -45.5869 -23.7018 -220.413 82.9402 138.249 PRESSAVG: 1671400 -7.55179 13.359 -28.0508 13.3591 -18.8802 -23.0296 -28.0508 -23.0297 19.1198 GPRESSAVG: 1671400 -8.06239 14.6236 -26.9744 14.1815 -19.8673 -21.8015 -28.6017 -23.1063 20.6391 TIMING: 1671400 CPU: 5221.22, 0.00313017/step Wall: 5221.22, 0.00313017/step, 2.89419 hours remaining, 235.332031 MB of memory in use. ENERGY: 1671400 3976.1941 20538.6394 14416.9492 251.2252 -203217.1262 2594.5019 0.0000 0.0000 52098.5083 -109341.1081 299.4108 -161439.6163 -108976.0527 299.0627 7.6046 37.1290 760596.0777 -2.4374 -2.4302 PRESSURE: 1671600 -351.079 45.6261 -265.779 45.6265 -342.071 41.0536 -265.779 41.054 -228.611 GPRESSURE: 1671600 -290.904 -41.6175 -333.902 -71.6013 -310.794 34.139 -128.654 -50.3971 -240.244 PRESSAVG: 1671600 69.7701 35.9399 5.53568 35.9399 -44.2368 4.67099 5.53568 4.67098 8.12825 GPRESSAVG: 1671600 70.1077 36.8814 4.86735 34.6915 -43.3589 2.36795 5.29912 5.57736 7.19642 TIMING: 1671600 CPU: 5221.85, 0.00314412/step Wall: 5221.85, 0.00314412/step, 2.90691 hours remaining, 235.332031 MB of memory in use. ENERGY: 1671600 3888.2300 20458.6238 14467.2117 260.0567 -202761.2515 2422.3557 0.0000 0.0000 52041.9703 -109222.8033 299.0859 -161264.7735 -108861.6055 298.9135 -307.2537 -280.6471 762364.1632 11.2205 11.3151 PRESSURE: 1671800 -68.5494 104.422 -28.5297 104.422 4.23786 313.195 -28.5299 313.195 -365.21 GPRESSURE: 1671800 -56.9063 129.21 52.2566 144.316 65.3222 293.513 -73.782 309.549 -354.535 PRESSAVG: 1671800 50.8147 92.4967 -53.2155 92.4966 -32.9361 -23.631 -53.2155 -23.6309 -39.8934 GPRESSAVG: 1671800 50.8924 91.9286 -53.2516 92.938 -32.4793 -24.0251 -54.7538 -24.3294 -39.9646 TIMING: 1671800 CPU: 5222.48, 0.00313185/step Wall: 5222.48, 0.00313185/step, 2.8954 hours remaining, 235.332031 MB of memory in use. ENERGY: 1671800 3989.4362 20677.8950 14378.8969 247.9639 -203196.8273 2604.0952 0.0000 0.0000 51978.5438 -109319.9963 298.7214 -161298.5401 -108949.7813 299.0757 -143.1739 -115.3731 761233.0705 -7.3383 -7.1838 PRESSURE: 1672000 -469.946 151.445 117.481 151.446 -74.3009 -244.571 117.48 -244.57 -110.152 GPRESSURE: 1672000 -455.393 138.736 183.991 50.7222 -40.5112 -256.223 81.0719 -186.871 -66.4582 PRESSAVG: 1672000 -19.7468 35.11 20.1553 35.11 -9.54549 -49.198 20.1552 -49.1981 5.84495 GPRESSAVG: 1672000 -20.1053 36.0554 18.8992 35.9932 -9.64303 -48.8094 23.8021 -50.5414 6.3622 TIMING: 1672000 CPU: 5223.11, 0.00314635/step Wall: 5223.11, 0.00314635/step, 2.90863 hours remaining, 235.332031 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: 1672000 3984.8161 20508.7349 14405.1087 224.2006 -202879.8500 2452.5169 0.0000 0.0000 52021.4120 -109283.0609 298.9678 -161304.4728 -108911.2636 298.5729 -218.1329 -187.4543 763360.4395 -7.8158 -7.7954 PRESSURE: 1672200 -319.457 -65.8708 -24.6025 -65.87 32.2025 -136.724 -24.6024 -136.724 -343.388 GPRESSURE: 1672200 -283.768 -21.1591 69.3071 -60.7591 6.97343 -69.9389 -47.1054 -18.2793 -258.19 PRESSAVG: 1672200 52.485 11.7077 60.7623 11.7077 -37.1177 -11.1149 60.7623 -11.115 -7.0081 GPRESSAVG: 1672200 53.7922 11.5701 62.2002 10.8044 -37.0173 -10.7457 59.0221 -10.9042 -8.54194 TIMING: 1672200 CPU: 5223.74, 0.00313625/step Wall: 5223.74, 0.00313625/step, 2.89912 hours remaining, 235.332031 MB of memory in use. ENERGY: 1672200 4063.6594 20379.0057 14380.3220 245.4587 -203022.1456 2698.4448 0.0000 0.0000 52065.3246 -109189.9303 299.2201 -161255.2550 -108818.0141 299.1065 -210.2141 -178.3282 761830.3924 2.7864 2.7443 LDB: ============= START OF LOAD BALANCING ============== 5236.21 LDB: ============== END OF LOAD BALANCING =============== 5236.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5236.22 LDB: ============= START OF LOAD BALANCING ============== 5236.53 LDB: Largest compute 6985 load 0.029455 is 15.1% of average load 0.194998 LDB: Average compute 0.004392 is 2.3% of average load 0.194998 LDB: TIME 5236.53 LOAD: AVG 0.194998 MAX 0.21233 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.527 MB LDB: TIME 5236.53 LOAD: AVG 0.194998 MAX 0.21233 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.527 MB LDB: TIME 5236.53 LOAD: AVG 0.194998 MAX 0.21233 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.527 MB LDB: ============== END OF LOAD BALANCING =============== 5236.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5236.54 PRESSURE: 1672400 -143.972 -92.2793 37.9527 -92.2799 35.3021 69.9027 37.9518 69.9019 -66.8885 GPRESSURE: 1672400 -126.005 -96.9497 -62.7427 -82.7625 63.547 57.6791 -53.9223 76.8043 -45.9534 PRESSAVG: 1672400 42.1012 8.41805 70.7496 8.41803 -10.5483 -86.0278 70.7496 -86.0278 9.24611 GPRESSAVG: 1672400 41.6533 7.87805 69.7239 9.02977 -10.6157 -85.865 69.1485 -84.7597 9.61647 TIMING: 1672400 CPU: 5224.37, 0.00319711/step Wall: 5224.37, 0.00319711/step, 2.95519 hours remaining, 234.050781 MB of memory in use. ENERGY: 1672400 3932.0309 20637.1360 14423.6230 238.5524 -203380.5123 2898.7589 0.0000 0.0000 52111.6561 -109138.7550 299.4864 -161250.4111 -108776.9358 299.3640 -58.5196 -36.1372 762534.5175 13.5997 13.5514 PRESSURE: 1672600 -107.35 150.421 26.9774 150.421 -96.5483 35.319 26.9782 35.3193 -265.546 GPRESSURE: 1672600 -81.2874 176.936 56.8392 120.202 -57.0564 -18.9368 4.8514 -72.8401 -224.446 PRESSAVG: 1672600 28.7169 -4.79887 -33.1798 -4.79888 -33.6018 0.61133 -33.1797 0.611341 -3.52349 GPRESSAVG: 1672600 29.4924 -5.28957 -33.1563 -5.56588 -34.8922 1.41703 -31.7133 -1.17303 -2.77395 TIMING: 1672600 CPU: 5225, 0.00312536/step Wall: 5225, 0.00312536/step, 2.8887 hours remaining, 234.050781 MB of memory in use. ENERGY: 1672600 3959.9664 20453.9650 14528.3482 225.4999 -203412.4103 2936.4136 0.0000 0.0000 52077.2908 -109230.9265 299.2889 -161308.2173 -108871.1002 299.6424 -156.4813 -120.9298 762482.8723 -2.8028 -2.7246 PRESSURE: 1672800 413.176 -57.9074 180.496 -57.9075 181.478 109.768 180.497 109.768 265.081 GPRESSURE: 1672800 362.667 -73.9514 230.986 -26.0534 190.605 65.1549 138.077 68.533 399.429 PRESSAVG: 1672800 18.0926 -10.1096 9.34562 -10.1096 -46.323 41.7569 9.34558 41.7569 -6.6173 GPRESSAVG: 1672800 16.989 -10.6079 9.97285 -10.1105 -45.0142 40.5741 8.33635 41.7439 -6.51359 TIMING: 1672800 CPU: 5225.63, 0.00313295/step Wall: 5225.63, 0.00313295/step, 2.89554 hours remaining, 234.050781 MB of memory in use. ENERGY: 1672800 3987.5464 20489.1034 14411.4763 251.1038 -203450.5897 3043.2629 0.0000 0.0000 52020.5754 -109247.5216 298.9630 -161268.0970 -108882.8443 298.9433 286.5784 317.5671 762956.6508 -11.6159 -11.5129 PRESSURE: 1673000 -346.902 242.81 34.4532 242.809 -157.882 33.3493 34.4529 33.3501 -495.184 GPRESSURE: 1673000 -413.628 89.6456 60.6413 154.205 -21.313 109.144 -53.4004 -48.6347 -464.655 PRESSAVG: 1673000 -11.2195 -19.8349 40.898 -19.8349 -24.5294 75.8736 40.898 75.8736 -1.65607 GPRESSAVG: 1673000 -11.836 -20.6927 40.2097 -18.7284 -23.6753 77.3404 41.2171 76.9703 -2.72037 TIMING: 1673000 CPU: 5226.25, 0.00311684/step Wall: 5226.25, 0.00311684/step, 2.88048 hours remaining, 234.050781 MB of memory in use. ENERGY: 1673000 4036.1724 20430.0577 14516.4285 260.2450 -203320.1294 2627.3530 0.0000 0.0000 52207.2024 -109242.6706 300.0355 -161449.8729 -108872.7586 299.5679 -333.3226 -299.8653 762117.8888 -12.4683 -12.7439 PRESSURE: 1673200 -631.861 143.462 346.841 143.461 -199.072 1.93726 346.84 1.93695 -296.659 GPRESSURE: 1673200 -564.677 101.036 378.241 215.446 -209.329 4.08597 328.67 -20.0968 -244.626 PRESSAVG: 1673200 -13.8884 -15.9973 18.1599 -15.9973 45.7702 31.5209 18.1599 31.521 -0.750699 GPRESSAVG: 1673200 -13.3852 -13.4881 18.3534 -17.2116 44.8944 31.2836 19.0901 31.3151 -0.0954517 TIMING: 1673200 CPU: 5226.87, 0.00312144/step Wall: 5226.87, 0.00312144/step, 2.88456 hours remaining, 234.050781 MB of memory in use. ENERGY: 1673200 4058.6065 20635.1159 14521.8531 263.7281 -202990.0578 2395.0287 0.0000 0.0000 51854.7957 -109260.9298 298.0102 -161115.7255 -108900.5539 299.2134 -375.8639 -339.5440 763012.3222 10.3770 10.4713 PRESSURE: 1673400 24.2498 -70.0643 26.2623 -70.0644 155.438 -72.7568 26.2623 -72.7569 -80.4425 GPRESSURE: 1673400 44.2488 6.80388 -111.114 -77.5494 206.279 -138.705 192.149 -83.8714 -40.2385 PRESSAVG: 1673400 -28.3989 -14.106 16.0054 -14.1061 30.1815 -13.0414 16.0054 -13.0413 -0.718958 GPRESSAVG: 1673400 -28.0109 -13.9115 15.9352 -15.9044 29.3237 -12.3362 17.8182 -12.4895 -0.119547 TIMING: 1673400 CPU: 5227.5, 0.00315163/step Wall: 5227.5, 0.00315163/step, 2.91228 hours remaining, 234.050781 MB of memory in use. ENERGY: 1673400 4024.5816 20558.7323 14417.1685 254.5272 -203181.4109 2671.5450 0.0000 0.0000 52241.6045 -109013.2518 300.2332 -161254.8563 -108647.2043 299.2469 33.0819 70.0963 762502.9350 0.3545 0.3978 PRESSURE: 1673600 -266.93 -108.032 224.127 -108.033 182.427 230.019 224.127 230.018 -214.148 GPRESSURE: 1673600 -132.055 -49.879 134.819 -93.1421 63.3846 226.015 174.768 198.074 -138.086 PRESSAVG: 1673600 -43.2673 -42.4982 25.883 -42.4982 21.2046 -10.6485 25.883 -10.6486 1.67263 GPRESSAVG: 1673600 -42.7216 -42.976 24.6822 -39.6802 20.4901 -11.349 24.913 -11.4833 2.01073 TIMING: 1673600 CPU: 5228.13, 0.00314109/step Wall: 5228.13, 0.00314109/step, 2.90237 hours remaining, 234.050781 MB of memory in use. ENERGY: 1673600 4036.0221 20622.7326 14447.5918 254.7984 -202714.0786 2405.0511 0.0000 0.0000 52087.9366 -108859.9459 299.3501 -160947.8825 -108506.4653 299.9621 -99.5503 -68.9189 763592.8446 -6.7967 -6.7403 PRESSURE: 1673800 207.185 162.952 208.47 162.951 210.141 20.4057 208.47 20.405 -151.853 GPRESSURE: 1673800 220.121 158.981 209.285 177.818 213.699 32.1004 67.6865 19.2987 -57.2164 PRESSAVG: 1673800 23.3625 5.02159 37.1367 5.02162 7.52194 35.1469 37.1368 35.1469 -18.5833 GPRESSAVG: 1673800 22.8204 5.07021 39.3755 3.56988 8.00079 35.7209 35.2077 35.9625 -18.3562 TIMING: 1673800 CPU: 5228.76, 0.0031335/step Wall: 5228.76, 0.0031335/step, 2.89518 hours remaining, 234.050781 MB of memory in use. ENERGY: 1673800 3976.6232 20538.5723 14472.5344 268.9155 -203386.5381 2901.7861 0.0000 0.0000 52276.4030 -108951.7035 300.4332 -161228.1065 -108585.3364 299.6826 88.4912 125.5344 762148.9372 4.1004 4.1550 PRESSURE: 1674000 28.3568 172.185 122.91 172.185 -219.135 191.449 122.91 191.449 -346.462 GPRESSURE: 1674000 56.8712 114.476 175.717 -20.2026 -121.532 212.652 20.4804 108.482 -367.135 PRESSAVG: 1674000 14.343 18.1176 52.396 18.1175 3.81226 58.4401 52.396 58.4401 1.31485 GPRESSAVG: 1674000 14.1612 16.9336 51.7302 18.5993 3.67382 58.2888 52.8189 56.8466 1.26607 TIMING: 1674000 CPU: 5229.39, 0.0031366/step Wall: 5229.39, 0.0031366/step, 2.89787 hours remaining, 234.050781 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: 1674000 4025.3437 20602.4677 14449.5036 267.1166 -203119.2804 2734.9656 0.0000 0.0000 52014.4347 -109025.4485 298.9277 -161039.8832 -108660.2713 300.0769 -179.0802 -143.9320 763401.4293 6.4900 6.3670 PRESSURE: 1674200 -269.613 -10.9153 -104.416 -10.9152 -233.32 -81.2358 -104.416 -81.2349 -278.191 GPRESSURE: 1674200 -167.558 50.0241 -42.544 46.9913 -250.405 -127.55 8.57004 41.8885 -262.939 PRESSAVG: 1674200 56.4322 -21.9951 53.8519 -21.9951 -39.9485 58.4512 53.8519 58.4511 26.3957 GPRESSAVG: 1674200 55.6069 -21.3716 54.7503 -22.8444 -39.3452 57.7674 52.7953 59.5118 26.8009 TIMING: 1674200 CPU: 5230.01, 0.00314233/step Wall: 5230.01, 0.00314233/step, 2.90299 hours remaining, 234.050781 MB of memory in use. ENERGY: 1674200 4015.4619 20603.5347 14442.1443 244.6035 -202946.6839 2514.9452 0.0000 0.0000 52110.2975 -109015.6968 299.4786 -161125.9943 -108657.5868 300.1768 -260.3746 -226.9674 762483.8258 14.2931 14.3542 PRESSURE: 1674400 77.4032 -116.273 -87.7023 -116.273 260.636 253.144 -87.7021 253.144 472.248 GPRESSURE: 1674400 172.427 -291.293 -51.3359 -53.1022 178.14 208.885 -63.7718 112.696 532.871 PRESSAVG: 1674400 0.165551 -1.09401 0.0220625 -1.09397 -23.6354 -4.88977 0.0220423 -4.88973 5.70008 GPRESSAVG: 1674400 1.40326 0.0744474 -0.877428 -1.22449 -23.9339 -5.0329 2.6497 -3.92688 4.75698 TIMING: 1674400 CPU: 5230.64, 0.00313896/step Wall: 5230.64, 0.00313896/step, 2.8997 hours remaining, 234.050781 MB of memory in use. ENERGY: 1674400 3965.1741 20732.0545 14490.1604 264.7413 -203632.4150 3005.2484 0.0000 0.0000 52284.5822 -108890.4541 300.4802 -161175.0363 -108534.5528 300.6383 270.0956 294.4790 761993.1996 -5.9233 -5.9245 PRESSURE: 1674600 217.605 237.26 -33.4665 237.261 213.712 35.9766 -33.4668 35.9777 -168.822 GPRESSURE: 1674600 195.221 178.551 -131.379 186.727 302.266 47.0336 33.4734 -48.3497 -150.796 PRESSAVG: 1674600 3.99545 10.3748 16.531 10.3748 -6.04661 8.41434 16.531 8.41428 2.75636 GPRESSAVG: 1674600 4.22185 8.55644 16.2169 12.7962 -5.55774 7.96441 16.6452 9.54291 2.35595 TIMING: 1674600 CPU: 5231.27, 0.00315335/step Wall: 5231.27, 0.00315335/step, 2.91282 hours remaining, 234.050781 MB of memory in use. ENERGY: 1674600 3982.6665 20482.6798 14416.2146 247.0461 -203438.1625 2894.4357 0.0000 0.0000 52450.6732 -108964.4466 301.4347 -161415.1198 -108589.4249 300.4203 87.4984 115.5638 761255.2334 0.2351 0.3400 PRESSURE: 1674800 46.8637 114.863 -170.206 114.864 -238.1 95.6826 -170.207 95.6835 54.9529 GPRESSURE: 1674800 29.8245 -31.5151 -163.204 126.23 -148.456 155.709 -146.85 62.0021 58.9415 PRESSAVG: 1674800 -5.29586 -14.6605 14.6013 -14.6605 9.57201 41.4237 14.6013 41.4238 -7.65746 GPRESSAVG: 1674800 -6.23633 -12.5824 14.7629 -17.4364 10.0989 41.4294 14.1713 38.9449 -7.46081 TIMING: 1674800 CPU: 5231.9, 0.00314614/step Wall: 5231.9, 0.00314614/step, 2.90599 hours remaining, 234.050781 MB of memory in use. ENERGY: 1674800 4018.0821 20759.6055 14478.2644 241.9745 -202920.5432 2400.3985 0.0000 0.0000 52163.1997 -108859.0186 299.7826 -161022.2183 -108497.9626 300.8134 -45.4278 -19.8967 763073.9520 -1.1271 -1.1994 PRESSURE: 1675000 268.774 -133.155 220.327 -133.155 48.4736 151.744 220.328 151.744 -100.172 GPRESSURE: 1675000 196.58 -72.0114 255.452 -79.3716 136.466 118.08 185.037 133.474 -11.3177 PRESSAVG: 1675000 53.9818 -20.3889 28.307 -20.3889 -48.7489 33.0209 28.307 33.0209 3.20835 GPRESSAVG: 1675000 52.9734 -23.4094 28.0408 -19.5753 -48.3719 33.729 26.4864 33.3389 3.78779 TIMING: 1675000 CPU: 5232.53, 0.00315488/step Wall: 5232.53, 0.00315487/step, 2.91388 hours remaining, 234.050781 MB of memory in use. ENERGY: 1675000 4044.0979 20669.3920 14485.1484 245.5115 -203425.6682 2827.9907 0.0000 0.0000 52346.4066 -108807.1211 300.8355 -161153.5277 -108439.5761 300.9427 72.3584 107.2429 761057.2612 2.8138 2.7964 PRESSURE: 1675200 -282.206 -103.303 72.8447 -103.303 -359.472 -43.1847 72.8443 -43.1835 -210.171 GPRESSURE: 1675200 -315.929 -48.2529 22.4995 -52.4865 -241.74 14.3237 39.2474 126.612 -210.991 PRESSAVG: 1675200 11.5099 -64.5529 28.3141 -64.5529 8.94068 34.5232 28.3142 34.5231 37.8322 GPRESSAVG: 1675200 12.4785 -59.9692 28.2122 -65.85 9.79805 34.0095 29.2065 36.1679 36.5586 TIMING: 1675200 CPU: 5233.16, 0.0031394/step Wall: 5233.16, 0.0031394/step, 2.89941 hours remaining, 234.050781 MB of memory in use. ENERGY: 1675200 4101.6735 20606.2092 14464.2608 257.7877 -203131.5999 2772.3370 0.0000 0.0000 52249.8094 -108679.5223 300.2804 -160929.3317 -108318.9540 300.8536 -283.9494 -256.2201 764256.3392 19.4276 19.6117 PRESSURE: 1675400 38.0237 -70.4784 47.0385 -70.4787 58.9722 26.6302 47.0385 26.6294 -237.66 GPRESSURE: 1675400 50.0743 -25.9264 67.5486 -126.217 62.8572 -37.1553 23.8193 6.59308 -184.17 PRESSAVG: 1675400 14.0396 64.3442 38.7493 64.3442 -4.20591 8.36557 38.7493 8.36552 -16.8955 GPRESSAVG: 1675400 14.9645 62.2441 39.2109 66.8069 -6.03473 6.66162 38.2955 8.72851 -15.7493 TIMING: 1675400 CPU: 5233.79, 0.00313862/step Wall: 5233.79, 0.00313862/step, 2.89851 hours remaining, 234.050781 MB of memory in use. ENERGY: 1675400 4003.7375 20521.0524 14382.9692 258.4407 -203165.2771 2751.2738 0.0000 0.0000 52398.6904 -108849.1130 301.1360 -161247.8035 -108472.1790 300.4850 -46.8880 -23.7463 762864.5906 -2.3540 -2.2732 PRESSURE: 1675600 140.459 30.0553 -124.338 30.0552 206.762 -128.324 -124.338 -128.324 -22.9987 GPRESSURE: 1675600 142.222 -60.8774 -83.0241 58.4058 183.83 -173.397 -168.348 -162.214 66.9873 PRESSAVG: 1675600 -53.562 18.7031 51.8895 18.7032 55.9509 14.6919 51.8895 14.692 11.5821 GPRESSAVG: 1675600 -52.9938 18.8923 52.8015 17.4558 56.1928 15.0284 51.5076 14.6561 10.8331 TIMING: 1675600 CPU: 5234.42, 0.00313839/step Wall: 5234.42, 0.00313839/step, 2.89813 hours remaining, 234.050781 MB of memory in use. ENERGY: 1675600 3914.3847 20805.4843 14423.2225 256.4633 -203133.7659 2685.0997 0.0000 0.0000 52300.6235 -108748.4878 300.5724 -161049.1113 -108380.0929 300.7746 108.0740 131.0130 763781.2279 4.6570 4.6773 PRESSURE: 1675800 -61.692 -82.8139 34.8025 -82.8142 105.113 380.572 34.8026 380.572 -6.17997 GPRESSURE: 1675800 -67.2519 -50.3344 46.3079 -117.125 132.203 342.914 18.4582 301.221 78.7333 PRESSAVG: 1675800 20.9393 -25.6648 23.5014 -25.6649 9.8905 25.4706 23.5014 25.4706 -10.948 GPRESSAVG: 1675800 18.9696 -25.8448 24.6801 -26.5153 10.5958 27.1027 24.2929 24.663 -10.3034 TIMING: 1675800 CPU: 5235.05, 0.00314167/step Wall: 5235.05, 0.00314167/step, 2.90098 hours remaining, 234.050781 MB of memory in use. ENERGY: 1675800 4003.4401 20608.2798 14419.4856 244.7902 -203301.2607 2874.8280 0.0000 0.0000 52130.9661 -109019.4709 299.5974 -161150.4370 -108658.9212 300.4370 12.4138 47.8948 762811.2610 6.6273 6.4207 PRESSURE: 1676000 78.5228 -46.5159 -88.7102 -46.5162 158.765 108.261 -88.7098 108.261 270.624 GPRESSURE: 1676000 82.661 19.0365 -140.185 -98.1565 215.665 92.395 -95.3645 131.643 298.12 PRESSAVG: 1676000 38.1709 -40.6586 -33.3881 -40.6586 -22.8998 34.1483 -33.3881 34.1483 -2.37369 GPRESSAVG: 1676000 39.4884 -41.815 -35.0563 -38.4977 -23.1782 32.363 -32.2553 33.5668 -3.9476 TIMING: 1676000 CPU: 5235.67, 0.00313701/step Wall: 5235.67, 0.00313701/step, 2.89651 hours remaining, 234.050781 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: 1676000 4005.7236 20677.3271 14464.7274 223.5097 -202904.2127 2926.5192 0.0000 0.0000 51739.0130 -108867.3926 297.3448 -160606.4057 -108529.9738 299.9638 169.3041 198.8152 763582.9143 4.2991 4.1209 PRESSURE: 1676200 105.606 -37.1557 -24.3085 -37.1555 200.568 -173.112 -24.3084 -173.112 69.6027 GPRESSURE: 1676200 198.089 -70.0001 2.9749 26.0823 197.225 -99.101 -91.5043 -226.326 66.2622 PRESSAVG: 1676200 -54.6625 -18.0373 -0.796562 -18.0373 47.1592 -25.705 -0.796563 -25.7051 13.9685 GPRESSAVG: 1676200 -55.4057 -17.7868 -0.523717 -18.4952 46.9592 -25.0543 -2.82084 -24.3486 14.67 TIMING: 1676200 CPU: 5236.3, 0.00312997/step Wall: 5236.3, 0.00312997/step, 2.88983 hours remaining, 234.050781 MB of memory in use. ENERGY: 1676200 3901.0503 20432.1628 14433.1053 239.2953 -203371.0156 2932.3123 0.0000 0.0000 52183.9128 -109249.1767 299.9017 -161433.0895 -108890.9381 299.1434 125.2589 153.8588 763507.3485 2.1551 2.0745 LDB: ============= START OF LOAD BALANCING ============== 5248.78 LDB: ============== END OF LOAD BALANCING =============== 5248.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5248.78 LDB: ============= START OF LOAD BALANCING ============== 5249.1 LDB: Largest compute 6985 load 0.029729 is 15.2% of average load 0.194974 LDB: Average compute 0.004415 is 2.3% of average load 0.194974 LDB: TIME 5249.1 LOAD: AVG 0.194974 MAX 0.212478 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.855 MB LDB: TIME 5249.1 LOAD: AVG 0.194974 MAX 0.212478 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.855 MB LDB: TIME 5249.1 LOAD: AVG 0.194974 MAX 0.212478 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.855 MB LDB: ============== END OF LOAD BALANCING =============== 5249.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5249.11 PRESSURE: 1676400 -501.851 92.4457 235.496 92.4464 -116.837 21.7566 235.496 21.7571 92.4937 GPRESSURE: 1676400 -406.244 -3.38523 139.995 -21.289 -95.4693 -59.058 301.2 -49.7081 66.725 PRESSAVG: 1676400 -24.0916 24.5461 39.7556 24.5461 13.5039 -52.3567 39.7556 -52.3568 13.5628 GPRESSAVG: 1676400 -24.7855 22.5461 38.0183 23.5523 13.2293 -51.8386 41.9602 -51.5717 14.4638 TIMING: 1676400 CPU: 5236.94, 0.00320991/step Wall: 5236.94, 0.00320991/step, 2.96346 hours remaining, 235.535156 MB of memory in use. ENERGY: 1676400 4039.3480 20773.8474 14516.1335 255.8105 -202787.5329 2342.2459 0.0000 0.0000 51907.0132 -108953.1345 298.3103 -160860.1476 -108613.0588 299.6035 -175.3982 -144.9960 762811.8135 0.9917 0.9692 PRESSURE: 1676600 52.1612 -90.6863 -51.7721 -90.687 -423.616 -10.0656 -51.7726 -10.0665 106.662 GPRESSURE: 1676600 44.1285 3.9069 -97.0355 -7.72216 -310.956 20.9702 19.2551 3.70688 96.61 PRESSAVG: 1676600 27.8477 24.7509 32.4607 24.751 -50.9707 -23.572 32.4607 -23.572 1.59034 GPRESSAVG: 1676600 29.4488 27.0721 32.1046 26.577 -50.6358 -23.3052 30.395 -25.9121 0.0654115 TIMING: 1676600 CPU: 5237.57, 0.00314822/step Wall: 5237.57, 0.00314822/step, 2.90633 hours remaining, 235.535156 MB of memory in use. ENERGY: 1676600 3943.6416 20550.7481 14525.4792 257.3969 -202867.1830 2582.1713 0.0000 0.0000 52050.5236 -108957.2222 299.1351 -161007.7458 -108596.3749 299.8028 -88.2644 -56.7391 763122.7966 -7.1776 -7.0405 PRESSURE: 1676800 -638.773 -57.451 -298.892 -57.4518 -268.211 -169.085 -298.893 -169.084 -231.26 GPRESSURE: 1676800 -602.425 -101.35 -338.261 -62.5781 -266.734 -196.343 -138.56 -145.555 -182.96 PRESSAVG: 1676800 3.34907 -10.6341 -17.9011 -10.6341 11.1775 24.4795 -17.9011 24.4796 -4.59166 GPRESSAVG: 1676800 2.38014 -11.6459 -17.3805 -11.1305 10.3262 25.6511 -14.9571 25.5992 -3.60494 TIMING: 1676800 CPU: 5238.2, 0.00313429/step Wall: 5238.2, 0.00313429/step, 2.8933 hours remaining, 235.535156 MB of memory in use. ENERGY: 1676800 4017.5248 20558.7498 14454.8453 265.7655 -202610.5876 2297.6613 0.0000 0.0000 52115.6366 -108900.4043 299.5093 -161016.0409 -108543.9408 299.5741 -379.4147 -350.7061 763864.2376 3.3117 3.0338 PRESSURE: 1677000 164.541 205.962 41.9101 205.961 158.374 42.106 41.9099 42.1053 69.7147 GPRESSURE: 1677000 312.815 142.794 59.6262 228.644 97.9169 76.9378 -14.403 -23.2794 62.7225 PRESSAVG: 1677000 0.0235268 -13.8951 3.86613 -13.8951 -3.99341 32.3765 3.86606 32.3765 -12.6849 GPRESSAVG: 1677000 0.4547 -12.7099 6.21293 -14.8197 -4.51985 31.8482 1.811 31.7107 -12.6891 TIMING: 1677000 CPU: 5238.83, 0.00315712/step Wall: 5238.83, 0.00315712/step, 2.9142 hours remaining, 235.535156 MB of memory in use. ENERGY: 1677000 3945.9397 20378.9579 14409.3809 238.8678 -203187.5064 2788.7875 0.0000 0.0000 52402.5373 -109023.0353 301.1581 -161425.5725 -108652.8836 299.2434 130.8763 157.8180 762728.9217 -5.5516 -5.5848 PRESSURE: 1677200 -351.765 -17.6894 64.9581 -17.6886 -406.662 89.8103 64.9573 89.8114 -495.609 GPRESSURE: 1677200 -417.329 28.2848 111.073 47.9561 -322.043 70.508 21.5716 -54.6262 -411.167 PRESSAVG: 1677200 -13.5629 7.63022 -21.1453 7.6302 15.4491 39.662 -21.1453 39.662 5.15849 GPRESSAVG: 1677200 -14.848 7.45626 -22.136 7.83868 15.8998 40.3238 -21.2126 39.3643 5.47651 TIMING: 1677200 CPU: 5239.45, 0.00312374/step Wall: 5239.45, 0.00312374/step, 2.88322 hours remaining, 235.535156 MB of memory in use. ENERGY: 1677200 3990.6970 20334.5130 14436.4255 229.7720 -202370.6082 2075.6906 0.0000 0.0000 52366.0052 -108937.5048 300.9482 -161303.5100 -108574.8611 299.4771 -418.0121 -383.5129 762427.6826 2.3482 2.1761 PRESSURE: 1677400 -228.578 -78.1981 219.506 -78.1974 -270.682 -72.5967 219.506 -72.5966 -75.074 GPRESSURE: 1677400 -130.334 -150.051 167.799 -69.1999 -251.146 -73.9819 240.319 -151.341 -107.966 PRESSAVG: 1677400 -4.3346 14.6319 35.1763 14.6319 -22.9318 11.4208 35.1762 11.4208 19.6965 GPRESSAVG: 1677400 -3.44231 15.8762 34.8628 12.4965 -22.4467 9.88144 37.2818 13.0799 17.9169 TIMING: 1677400 CPU: 5240.08, 0.00314454/step Wall: 5240.08, 0.00314454/step, 2.90223 hours remaining, 235.535156 MB of memory in use. ENERGY: 1677400 4016.2899 20516.5681 14380.3578 243.4431 -202796.6554 2698.4492 0.0000 0.0000 52123.2663 -108818.2811 299.5531 -160941.5473 -108464.7530 299.6651 -191.4448 -163.1490 764093.4859 -2.5233 -2.6574 PRESSURE: 1677600 -309.039 -41.0013 121.69 -41.0016 0.144209 57.1678 121.69 57.1687 5.78592 GPRESSURE: 1677600 -272.454 3.56 133.33 -124.219 113.34 86.938 100.663 22.7255 -55.4644 PRESSAVG: 1677600 6.47347 -3.14474 43.9586 -3.1447 18.5441 -2.65488 43.9585 -2.65493 12.6377 GPRESSAVG: 1677600 6.00505 -3.86252 42.6234 -1.89629 19.1787 -2.76103 43.7229 -2.71546 12.4789 TIMING: 1677600 CPU: 5240.71, 0.00314856/step Wall: 5240.71, 0.00314856/step, 2.90577 hours remaining, 235.535156 MB of memory in use. ENERGY: 1677600 4049.2561 20491.2663 14444.7405 238.2030 -203018.5046 2815.2664 0.0000 0.0000 52132.6928 -108847.0794 299.6073 -160979.7722 -108485.0086 299.9634 -101.0362 -71.5261 764250.9913 12.5517 12.5542 PRESSURE: 1677800 -240.732 20.4161 454.868 20.4159 -84.3687 66.5379 454.866 66.5367 -309.426 GPRESSURE: 1677800 -196.099 113.74 378.498 -15.7483 -93.7297 109.669 442.172 -22.7984 -249.341 PRESSAVG: 1677800 -6.81345 -17.5077 36.7898 -17.5077 -1.7543 -10.5684 36.7898 -10.5684 0.528374 GPRESSAVG: 1677800 -6.72302 -16.9547 37.2388 -17.4323 -2.69953 -10.3516 35.901 -11.0383 1.52038 TIMING: 1677800 CPU: 5241.34, 0.00313378/step Wall: 5241.34, 0.00313378/step, 2.89196 hours remaining, 235.535156 MB of memory in use. ENERGY: 1677800 3971.2889 20575.0976 14428.0421 254.0298 -202482.8346 2558.0513 0.0000 0.0000 51943.7190 -108752.6059 298.5213 -160696.3249 -108383.3563 299.9744 -211.5087 -179.7234 765174.3880 -2.6798 -2.6341 PRESSURE: 1678000 56.1728 -188.448 44.107 -188.448 379.551 -63.1048 44.1066 -63.1044 349.775 GPRESSURE: 1678000 108.492 -221.015 17.7223 -233.236 391.418 8.12357 -96.4041 -75.2248 363.671 PRESSAVG: 1678000 -19.8576 26.7453 55.8827 26.7453 7.946 9.59652 55.8827 9.59655 2.58799 GPRESSAVG: 1678000 -19.4852 25.2896 56.3935 27.3401 8.41993 9.61881 56.5266 10.5759 1.97825 TIMING: 1678000 CPU: 5241.97, 0.00313748/step Wall: 5241.97, 0.00313748/step, 2.8952 hours remaining, 235.535156 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: 1678000 3912.9167 20625.4045 14468.7566 245.5999 -202774.5385 2484.1321 0.0000 0.0000 52333.0510 -108704.6777 300.7588 -161037.7287 -108337.3679 300.3878 261.8328 287.8603 760086.0206 -3.1079 -3.0290 PRESSURE: 1678200 -10.5871 12.7495 162.029 12.7504 368.158 -40.7076 162.029 -40.7081 -158.049 GPRESSURE: 1678200 81.7963 51.9039 50.1896 -29.049 356.343 14.0748 57.7402 56.4955 -137.458 PRESSAVG: 1678200 38.0439 -9.90381 43.5881 -9.90383 -23.3179 7.76271 43.5881 7.76272 -4.1157 GPRESSAVG: 1678200 37.4905 -8.63148 42.9031 -10.5427 -22.4875 8.0142 42.9769 8.29321 -4.53209 TIMING: 1678200 CPU: 5242.59, 0.00312096/step Wall: 5242.59, 0.00312096/step, 2.87977 hours remaining, 235.535156 MB of memory in use. ENERGY: 1678200 3967.5496 20466.9695 14412.7826 248.5091 -202975.5863 2781.1105 0.0000 0.0000 52426.7708 -108671.8942 301.2974 -161098.6651 -108300.1960 300.6220 66.5072 100.2269 760967.8029 3.5368 3.4903 PRESSURE: 1678400 -34.5723 -147.675 165.809 -147.675 33.0704 -234.773 165.809 -234.774 -477.951 GPRESSURE: 1678400 4.26379 -225.233 179.261 -60.55 63.5328 -173.8 95.2901 -267.835 -473.159 PRESSAVG: 1678400 -9.18799 0.51524 15.1486 0.515155 27.939 -13.4204 15.1486 -13.4204 27.8034 GPRESSAVG: 1678400 -8.52349 -1.27832 15.2876 3.52643 26.3394 -13.0034 15.8133 -14.3736 29.0997 TIMING: 1678400 CPU: 5243.22, 0.00313869/step Wall: 5243.22, 0.00313869/step, 2.89596 hours remaining, 235.535156 MB of memory in use. ENERGY: 1678400 4042.2837 20458.1265 14470.8198 241.7933 -202962.4073 2433.3769 0.0000 0.0000 52465.0994 -108850.9078 301.5176 -161316.0072 -108493.7147 300.8356 -159.8178 -135.1207 761449.9420 15.5181 15.6385 PRESSURE: 1678600 -60.2789 -54.539 160.575 -54.5389 -408.474 -87.0708 160.575 -87.0713 -212.953 GPRESSURE: 1678600 56.6524 -54.2597 169.815 -62.0763 -405.261 -116.788 204.607 -93.267 -244.041 PRESSAVG: 1678600 -6.83053 1.3662 20.6674 1.36619 31.0498 -37.7002 20.6674 -37.7002 -11.9063 GPRESSAVG: 1678600 -7.75353 1.24416 20.5419 0.805977 31.9846 -38.1719 18.1217 -37.7197 -11.7665 TIMING: 1678600 CPU: 5243.84, 0.00311279/step Wall: 5243.84, 0.00311279/step, 2.8719 hours remaining, 235.535156 MB of memory in use. ENERGY: 1678600 3991.6969 20552.1958 14460.5560 274.5461 -202738.8627 2244.6927 0.0000 0.0000 52156.5756 -109058.5996 299.7446 -161215.1751 -108700.9748 300.3025 -227.2353 -197.5498 762338.3693 4.1043 4.1549 PRESSURE: 1678800 -54.5536 152.328 9.89524 152.328 -96.3502 168.448 9.89555 168.447 -398.045 GPRESSURE: 1678800 -62.9131 17.2018 -27.6145 193.13 35.0899 110.146 20.2501 138.985 -438.297 PRESSAVG: 1678800 -31.0689 -12.0814 34.2528 -12.0815 19.88 -47.4164 34.2528 -47.4164 4.18966 GPRESSAVG: 1678800 -30.7743 -11.0332 33.9856 -12.94 19.9454 -46.6584 35.9987 -47.8537 4.1368 TIMING: 1678800 CPU: 5244.47, 0.00312333/step Wall: 5244.47, 0.00312333/step, 2.88144 hours remaining, 235.535156 MB of memory in use. ENERGY: 1678800 4019.6696 20477.1605 14519.9172 266.9366 -203202.6769 2792.7762 0.0000 0.0000 52160.2908 -108965.9260 299.7659 -161126.2168 -108602.4268 299.7113 -182.9828 -155.3735 761112.2603 -2.3331 -2.2307 PRESSURE: 1679000 -144.156 -190.217 148.18 -190.217 -20.6575 -157.558 148.18 -157.558 -368.047 GPRESSURE: 1679000 -96.5051 -235.388 193.752 -235.282 -68.288 -212.194 18.9693 -157.502 -273.81 PRESSAVG: 1679000 -21.5494 -9.48256 -3.51603 -9.48251 63.1807 -8.58842 -3.51603 -8.58829 14.6681 GPRESSAVG: 1679000 -21.6342 -11.1976 -2.9194 -7.20321 64.6599 -8.49483 -4.15982 -9.34788 13.8359 TIMING: 1679000 CPU: 5245.09, 0.0031291/step Wall: 5245.09, 0.0031291/step, 2.8866 hours remaining, 235.535156 MB of memory in use. ENERGY: 1679000 4010.3549 20567.7186 14399.2625 265.5254 -203394.7449 2820.3916 0.0000 0.0000 52486.1304 -108845.3615 301.6385 -161331.4919 -108484.8365 300.4935 -177.6204 -146.2009 763569.7610 18.7665 18.9539 PRESSURE: 1679200 2.21638 -183.571 65.7316 -183.57 -65.0125 67.5916 65.7319 67.5922 100.197 GPRESSURE: 1679200 29.3496 -119.015 87.1867 -185.652 -48.4469 92.3296 53.6255 13.9529 154.834 PRESSAVG: 1679200 -54.9192 -46.5812 17.3499 -46.5812 31.0175 -21.6627 17.3499 -21.6627 -12.2489 GPRESSAVG: 1679200 -54.0434 -44.3289 16.6608 -48.1926 30.2688 -21.0828 18.0071 -21.8438 -12.2071 TIMING: 1679200 CPU: 5245.72, 0.00313373/step Wall: 5245.72, 0.00313373/step, 2.8907 hours remaining, 235.535156 MB of memory in use. ENERGY: 1679200 4056.0522 20613.7572 14521.2974 230.9561 -203179.5817 2529.5247 0.0000 0.0000 52426.8758 -108801.1182 301.2980 -161227.9941 -108435.5275 300.5742 12.4670 45.2455 761376.7621 -12.0502 -11.9939 PRESSURE: 1679400 -147.649 0.419381 -204.615 0.420091 -263.334 -129.8 -204.615 -129.8 -161.004 GPRESSURE: 1679400 -73.3399 -42.3979 -210.294 55.6609 -256.377 -103.341 -243.948 -51.906 -174.336 PRESSAVG: 1679400 -15.3825 -61.6746 10.9802 -61.6747 34.1252 -26.3193 10.9802 -26.3192 14.739 GPRESSAVG: 1679400 -15.3798 -61.7675 12.678 -60.204 33.3938 -26.5683 11.1604 -26.7122 15.2939 TIMING: 1679400 CPU: 5246.34, 0.00311646/step Wall: 5246.34, 0.00311646/step, 2.87458 hours remaining, 235.535156 MB of memory in use. ENERGY: 1679400 4095.4489 20513.0852 14471.8183 246.2066 -202746.8285 2441.5394 0.0000 0.0000 52176.9107 -108801.8194 299.8614 -160978.7301 -108434.3578 301.0840 -190.6625 -168.0174 762542.9962 11.1606 11.1026 PRESSURE: 1679600 -51.0489 -11.9484 3.0585 -11.9483 2.34264 -101.411 3.05841 -101.411 611.662 GPRESSURE: 1679600 -71.0843 114.121 35.1896 25.4329 91.0837 -63.5705 38.5409 -73.5178 620.954 PRESSAVG: 1679600 -29.9543 15.0255 -11.0106 15.0256 42.1912 18.5239 -11.0105 18.5239 -0.56071 GPRESSAVG: 1679600 -30.0224 13.2991 -11.9769 14.4371 43.4443 17.7504 -12.4182 19.4818 -1.7817 TIMING: 1679600 CPU: 5246.97, 0.00314308/step Wall: 5246.97, 0.00314309/step, 2.89897 hours remaining, 235.535156 MB of memory in use. ENERGY: 1679600 3857.2611 20559.1508 14454.2198 265.9767 -202739.7760 2519.7751 0.0000 0.0000 52184.6009 -108898.7916 299.9056 -161083.3925 -108529.7225 300.6442 187.6521 213.6512 762306.5945 3.8921 3.8801 PRESSURE: 1679800 85.958 -128.067 62.2111 -128.067 -77.3437 54.7379 62.2109 54.7358 -13.6373 GPRESSURE: 1679800 149.199 -159.565 75.9027 -245.947 -143.461 74.1688 78.1566 8.48817 38.5756 PRESSAVG: 1679800 35.1354 -24.5241 0.0395949 -24.5241 -26.3286 -17.7267 0.0396067 -17.7266 -4.26927 GPRESSAVG: 1679800 34.0852 -24.6798 0.502713 -22.6622 -26.9042 -18.5849 1.05167 -16.6047 -1.98493 TIMING: 1679800 CPU: 5247.6, 0.00315781/step Wall: 5247.6, 0.00315781/step, 2.91238 hours remaining, 235.535156 MB of memory in use. ENERGY: 1679800 4009.4094 20772.8648 14517.9266 252.6877 -203368.9323 2852.6798 0.0000 0.0000 51999.1294 -108964.2346 298.8397 -160963.3640 -108602.7606 300.4041 -1.6743 14.7711 762393.2763 1.5125 1.7320 PRESSURE: 1680000 -376.522 76.1233 11.7779 76.1221 -27.7489 82.7328 11.7777 82.7338 -89.2404 GPRESSURE: 1680000 -301.514 118.998 3.19952 34.9077 -40.6665 4.57588 19.3808 145.725 -53.0895 PRESSAVG: 1680000 14.5302 -24.5349 9.22373 -24.5349 18.2118 -33.7928 9.22369 -33.7928 21.749 GPRESSAVG: 1680000 14.803 -23.8785 9.71321 -28.2323 18.7256 -33.3313 9.4126 -34.6877 20.5696 TIMING: 1680000 CPU: 5248.23, 0.00313862/step Wall: 5248.23, 0.00313862/step, 2.89451 hours remaining, 235.535156 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: 1680000 3971.5980 20679.0461 14504.4063 241.3430 -202822.8523 2321.5134 0.0000 0.0000 52109.4636 -108995.4818 299.4738 -161104.9455 -108635.6967 300.0782 -164.5039 -131.7568 764126.9983 18.1637 18.0327 PRESSURE: 1680200 -44.8788 -85.9778 -5.70666 -85.9777 -256.538 -45.2466 -5.70578 -45.2468 -135.062 GPRESSURE: 1680200 44.559 -74.988 -72.3677 -107.819 -242.958 -99.7442 -82.3289 -38.2969 -150.736 PRESSAVG: 1680200 29.7287 -47.1628 44.5904 -47.1629 2.62633 -21.6703 44.5904 -21.6703 10.4779 GPRESSAVG: 1680200 29.9989 -46.7511 43.3352 -45.2056 1.99786 -21.207 44.6193 -23.0984 10.5047 TIMING: 1680200 CPU: 5248.86, 0.00314516/step Wall: 5248.86, 0.00314516/step, 2.90036 hours remaining, 235.535156 MB of memory in use. ENERGY: 1680200 4104.9245 20541.9775 14486.5583 257.2614 -203374.4434 2586.5406 0.0000 0.0000 52281.2442 -109115.9370 300.4610 -161397.1812 -108755.6313 300.0912 -145.4928 -116.3782 763027.2976 14.2777 14.1672 LDB: ============= START OF LOAD BALANCING ============== 5261.34 LDB: ============== END OF LOAD BALANCING =============== 5261.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5261.34 LDB: ============= START OF LOAD BALANCING ============== 5261.66 LDB: Largest compute 6985 load 0.029643 is 15.2% of average load 0.195028 LDB: Average compute 0.004421 is 2.3% of average load 0.195028 LDB: TIME 5261.66 LOAD: AVG 0.195028 MAX 0.21615 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.539 MB LDB: TIME 5261.66 LOAD: AVG 0.195028 MAX 0.21615 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.543 MB LDB: TIME 5261.66 LOAD: AVG 0.195028 MAX 0.21615 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.543 MB LDB: ============== END OF LOAD BALANCING =============== 5261.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5261.67 PRESSURE: 1680400 -157.858 49.3057 41.3903 49.3066 -197.06 16.1332 41.39 16.1331 -133.325 GPRESSURE: 1680400 -124.351 78.0989 59.1711 19.7029 -102.402 121.001 57.5645 128.593 -168.466 PRESSAVG: 1680400 -28.5912 -3.25503 14.2193 -3.25506 34.1467 -23.7772 14.2194 -23.7771 2.82597 GPRESSAVG: 1680400 -30.6481 -2.96224 15.1224 -3.62458 35.0645 -24.4251 14.113 -21.9892 3.87823 TIMING: 1680400 CPU: 5249.5, 0.00322119/step Wall: 5249.5, 0.00322119/step, 2.9703 hours remaining, 235.847656 MB of memory in use. ENERGY: 1680400 3980.2934 20644.1156 14450.9701 250.2136 -203646.4627 2761.8273 0.0000 0.0000 52223.6545 -109335.3881 300.1301 -161559.0426 -108964.9377 299.2216 -162.7477 -131.7398 763478.8479 2.7938 2.7649 PRESSURE: 1680600 42.2402 -107.271 174.493 -107.272 135.196 -18.3525 174.492 -18.3519 -18.5625 GPRESSURE: 1680600 146.245 -49.5491 124.497 -139.237 112.502 -42.6653 109.707 -0.812563 -37.7985 PRESSAVG: 1680600 -53.8343 -54.676 -18.7176 -54.6761 36.1072 -12.2282 -18.7176 -12.2282 8.39153 GPRESSAVG: 1680600 -51.6156 -54.8979 -17.2655 -51.711 35.4324 -11.8706 -19.6153 -13.2246 7.13238 TIMING: 1680600 CPU: 5250.13, 0.0031516/step Wall: 5250.13, 0.0031516/step, 2.90595 hours remaining, 236.105469 MB of memory in use. ENERGY: 1680600 4040.4756 20637.1867 14401.1620 245.8444 -203141.1296 2409.3924 0.0000 0.0000 52087.3748 -109319.6938 299.3469 -161407.0686 -108951.0190 299.3546 52.9579 73.6493 762687.3027 -3.1119 -3.0169 PRESSURE: 1680800 136.979 46.0281 41.0595 46.0282 27.9446 48.6311 41.0587 48.6318 -37.6636 GPRESSURE: 1680800 63.6071 18.5994 -16.0063 8.67439 90.373 44.3061 142.645 71.8312 49.7362 PRESSAVG: 1680800 -62.2811 -54.4363 14.0101 -54.4364 100.227 21.6669 14.0101 21.6669 -7.41637 GPRESSAVG: 1680800 -64.0749 -55.0688 13.4817 -56.202 100.477 21.6687 14.923 22.361 -6.29209 TIMING: 1680800 CPU: 5250.76, 0.00314739/step Wall: 5250.76, 0.00314739/step, 2.90189 hours remaining, 236.105469 MB of memory in use. ENERGY: 1680800 4014.9742 20729.3231 14447.4928 261.6818 -203804.9334 3054.2886 0.0000 0.0000 52175.2451 -109121.9279 299.8519 -161297.1730 -108762.4654 299.6504 42.4200 67.9054 761769.4121 10.1766 10.0366 PRESSURE: 1681000 -372.547 -172.773 -9.94819 -172.772 -215.766 -131.312 -9.94922 -131.313 -120.008 GPRESSURE: 1681000 -401.93 -132.452 -91.3252 -145.879 -110.01 -169.941 -75.5281 -148.561 -110.559 PRESSAVG: 1681000 -41.071 5.45631 -1.66704 5.45627 71.5719 -17.3345 -1.66705 -17.3346 -10.5941 GPRESSAVG: 1681000 -41.0816 5.32683 -2.74174 3.7531 71.3745 -19.462 0.356947 -16.5088 -10.6403 TIMING: 1681000 CPU: 5251.39, 0.00313888/step Wall: 5251.39, 0.00313888/step, 2.89387 hours remaining, 236.105469 MB of memory in use. ENERGY: 1681000 3970.9378 20644.2652 14438.6408 244.5899 -203062.3096 2361.0436 0.0000 0.0000 52129.1926 -109273.6396 299.5872 -161402.8323 -108898.1039 300.0744 -236.1072 -207.4996 761817.2759 6.6356 6.5509 PRESSURE: 1681200 -219.389 63.8669 85.0522 63.8667 -22.1024 196.955 85.0513 196.955 -103.916 GPRESSURE: 1681200 -220.275 24.6081 157.85 6.02032 12.6471 178.101 92.0325 180.473 -56.4777 PRESSAVG: 1681200 -31.1964 -43.9361 -2.75914 -43.9361 40.4892 18.3408 -2.75914 18.3408 -31.1356 GPRESSAVG: 1681200 -30.8791 -41.8888 -1.61725 -43.5052 40.4422 20.8385 -4.20643 15.277 -31.6102 TIMING: 1681200 CPU: 5252.02, 0.00313536/step Wall: 5252.02, 0.00313536/step, 2.89045 hours remaining, 236.105469 MB of memory in use. ENERGY: 1681200 4048.4121 20518.3671 14407.8884 253.4840 -203480.9358 2849.2562 0.0000 0.0000 52069.9958 -109333.5321 299.2470 -161403.5279 -108969.0057 299.7634 -115.1360 -88.0351 762219.1378 -7.2809 -7.3491 PRESSURE: 1681400 198.18 -146.617 115.709 -146.617 -2.35436 150.058 115.709 150.057 -229.154 GPRESSURE: 1681400 135.442 -162.204 92.0104 -208.089 124.529 177.572 59.9866 79.9732 -199.657 PRESSAVG: 1681400 -31.7083 -8.12254 -54.4739 -8.12258 0.895568 20.1701 -54.4739 20.1701 18.2139 GPRESSAVG: 1681400 -31.6699 -7.8245 -54.7184 -9.67585 1.18388 19.15 -55.5393 19.1427 18.0042 TIMING: 1681400 CPU: 5252.65, 0.00314338/step Wall: 5252.65, 0.00314338/step, 2.89767 hours remaining, 236.105469 MB of memory in use. ENERGY: 1681400 4053.6394 20697.7686 14443.7419 248.2922 -203722.1804 3076.9064 0.0000 0.0000 51886.8510 -109314.9810 298.1944 -161201.8320 -108961.1043 299.6974 -11.1094 20.1047 760896.8538 -4.1996 -4.1606 PRESSURE: 1681600 -404.988 -135.712 -176.095 -135.713 -373.226 51.0921 -176.095 51.0913 28.5718 GPRESSURE: 1681600 -426.846 -234.886 -68.9217 -98.687 -321.255 -7.19021 -173.672 123.927 62.2275 PRESSAVG: 1681600 41.6587 -18.5197 -11.4518 -18.5197 -37.5639 14.3551 -11.4519 14.3551 -3.69252 GPRESSAVG: 1681600 42.523 -20.8129 -11.6485 -15.0631 -38.6766 14.5414 -9.64474 14.3077 -3.56389 TIMING: 1681600 CPU: 5253.27, 0.00313497/step Wall: 5253.27, 0.00313497/step, 2.88974 hours remaining, 236.105469 MB of memory in use. ENERGY: 1681600 3919.8800 20484.1338 14433.5731 247.3623 -203679.7004 2852.4567 0.0000 0.0000 52431.5580 -109310.7365 301.3249 -161742.2945 -108950.6254 299.9351 -249.8809 -228.6244 764190.2221 0.1341 0.0942 PRESSURE: 1681800 5.9612 -140.735 -128.639 -140.734 130.558 -38.1587 -128.639 -38.1591 254.354 GPRESSURE: 1681800 37.1993 -72.7471 -102.489 -166.268 182.143 -110.673 -92.5572 -91.7425 280.755 PRESSAVG: 1681800 23.8218 52.5601 -4.20942 52.5601 7.87172 -61.0674 -4.20948 -61.0674 20.1928 GPRESSAVG: 1681800 22.6123 52.9528 -4.2811 50.1181 8.27735 -62.0184 -4.40678 -57.4156 20.8796 TIMING: 1681800 CPU: 5253.9, 0.0031432/step Wall: 5253.9, 0.0031432/step, 2.89716 hours remaining, 236.105469 MB of memory in use. ENERGY: 1681800 3821.9547 20552.2436 14431.2140 243.8478 -203471.2268 2709.0955 0.0000 0.0000 52144.8748 -109567.9964 299.6773 -161712.8712 -109196.3158 299.4415 130.2911 166.6992 762382.5983 17.2954 17.2564 PRESSURE: 1682000 46.4034 114.698 108.491 114.698 47.1746 -155.448 108.491 -155.448 -97.0264 GPRESSURE: 1682000 75.7405 117.597 31.3422 162.095 104.283 -90.6792 106.697 -124.346 -91.2903 PRESSAVG: 1682000 -13.4023 -33.6137 3.84259 -33.6137 2.93186 -51.2118 3.84261 -51.2118 -8.2056 GPRESSAVG: 1682000 -11.6992 -33.909 2.91734 -32.9067 3.43502 -51.0279 3.22845 -51.0666 -9.43959 TIMING: 1682000 CPU: 5254.53, 0.00315199/step Wall: 5254.53, 0.00315199/step, 2.90508 hours remaining, 236.105469 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: 1682000 4056.5636 20637.9739 14394.5681 254.2849 -203610.2592 2850.1431 0.0000 0.0000 51749.3590 -109667.3666 297.4043 -161416.7256 -109313.3983 298.8797 -1.1495 29.5777 762642.5318 -6.2254 -5.9012 PRESSURE: 1682200 -70.8866 -33.7544 -347.654 -33.7545 -108.507 -279.918 -347.654 -279.918 -10.6209 GPRESSURE: 1682200 -75.1663 61.7728 -313.308 -59.4212 -56.2694 -213.489 -198.359 -235.006 12.8176 PRESSAVG: 1682200 5.50914 -17.9026 6.18119 -17.9026 29.9569 -12.1908 6.18121 -12.1908 8.49243 GPRESSAVG: 1682200 4.356 -17.9686 6.84532 -18.0381 29.8353 -11.1636 6.5609 -13.914 9.94793 TIMING: 1682200 CPU: 5255.17, 0.0031788/step Wall: 5255.17, 0.0031788/step, 2.92961 hours remaining, 236.105469 MB of memory in use. ENERGY: 1682200 3973.5859 20582.8967 14439.9994 254.9672 -203347.7517 2599.8925 0.0000 0.0000 51865.4203 -109630.9897 298.0713 -161496.4100 -109256.2054 298.5780 -63.3380 -39.5394 761732.7969 14.6528 14.7131 PRESSURE: 1682400 181.562 -120.155 -64.6666 -120.156 83.1716 41.0817 -64.6673 41.0819 -213.408 GPRESSURE: 1682400 236.738 -159.223 -87.7919 -101.459 121.344 144.593 -40.9972 6.82002 -213.29 PRESSAVG: 1682400 17.7307 0.229192 -0.610316 0.229233 -4.25469 15.5114 -0.610286 15.5114 -5.93604 GPRESSAVG: 1682400 19.4708 0.463162 0.103344 -0.122027 -5.22335 14.8418 -0.823994 15.9674 -6.54644 TIMING: 1682400 CPU: 5255.8, 0.00315182/step Wall: 5255.8, 0.00315181/step, 2.90457 hours remaining, 236.105469 MB of memory in use. ENERGY: 1682400 4035.7101 20769.1687 14420.6428 249.8470 -203723.5612 2783.4988 0.0000 0.0000 51998.5734 -109466.1205 298.8365 -161464.6938 -109107.0165 299.3846 17.1088 48.2639 760908.1236 2.5133 2.5670 PRESSURE: 1682600 -57.0013 82.1529 306.599 82.1518 -96.3597 15.7682 306.599 15.7681 -350.917 GPRESSURE: 1682600 -124.313 74.5492 266.905 115.028 -19.593 39.6886 234.139 70.257 -286.824 PRESSAVG: 1682600 -19.6001 4.41372 35.2042 4.41368 12.4037 14.9236 35.2042 14.9237 -9.81349 GPRESSAVG: 1682600 -19.2334 5.66366 34.9985 5.46255 12.2828 16.0408 34.1914 14.8445 -9.86221 TIMING: 1682600 CPU: 5256.43, 0.00314426/step Wall: 5256.43, 0.00314426/step, 2.89744 hours remaining, 236.105469 MB of memory in use. ENERGY: 1682600 4024.0517 20742.7763 14356.0806 242.8898 -203367.9779 2437.9861 0.0000 0.0000 52038.1655 -109526.0279 299.0641 -161564.1934 -109156.0046 299.0568 -168.0926 -143.5767 761820.9067 -5.6700 -5.6043 PRESSURE: 1682800 -189.618 8.52655 -59.2909 8.52615 -407.028 -13.7554 -59.2911 -13.755 -150.535 GPRESSURE: 1682800 -255.125 -68.5476 -6.09149 -47.2307 -345.801 -27.2082 -31.948 -67.2551 -60.1999 PRESSAVG: 1682800 3.15571 -5.05961 31.788 -5.05956 20.0699 -7.99814 31.788 -7.99811 -0.838359 GPRESSAVG: 1682800 1.54303 -5.299 33.2981 -5.04992 21.9537 -9.45277 32.4778 -9.21948 -1.04223 TIMING: 1682800 CPU: 5257.06, 0.00314587/step Wall: 5257.06, 0.00314587/step, 2.89875 hours remaining, 236.105469 MB of memory in use. ENERGY: 1682800 4037.9137 20554.7543 14404.9795 241.9885 -203058.1176 2374.8380 0.0000 0.0000 52073.9297 -109369.7140 299.2696 -161443.6437 -108996.2927 299.6309 -249.0603 -220.3754 761797.4402 7.4624 7.4848 PRESSURE: 1683000 218.394 -80.4608 63.4645 -80.4609 -230.502 114.491 63.4651 114.492 76.3617 GPRESSURE: 1683000 255.204 -104.132 30.9039 -125.218 -161.562 132.515 43.4141 108.308 63.7908 PRESSAVG: 1683000 61.209 -64.2232 -45.1183 -64.2232 5.14062 5.02524 -45.1183 5.02523 17.7966 GPRESSAVG: 1683000 60.6341 -65.1904 -48.0107 -62.6162 5.22879 4.85056 -44.9396 5.16541 17.6485 TIMING: 1683000 CPU: 5257.68, 0.00314361/step Wall: 5257.68, 0.00314361/step, 2.89649 hours remaining, 236.105469 MB of memory in use. ENERGY: 1683000 4082.8777 20440.9183 14427.6755 250.4469 -203725.1369 2943.9547 0.0000 0.0000 52172.9917 -109406.2721 299.8389 -161579.2637 -109039.4119 299.2202 21.4178 52.4774 761732.2083 28.0487 27.8371 PRESSURE: 1683200 85.4559 -93.486 13.0881 -93.4858 -3.75109 161.338 13.0883 161.338 241.111 GPRESSURE: 1683200 89.4663 -32.0516 3.95604 -41.4568 53.139 93.1226 43.5807 219.318 241.147 PRESSAVG: 1683200 -28.2071 -50.3052 9.84942 -50.3051 -10.1616 8.36048 9.84948 8.36048 -8.3262 GPRESSAVG: 1683200 -27.654 -51.0114 12.7181 -53.7195 -11.7554 7.98692 11.571 9.26332 -7.34139 TIMING: 1683200 CPU: 5258.31, 0.00314385/step Wall: 5258.31, 0.00314385/step, 2.89654 hours remaining, 236.105469 MB of memory in use. ENERGY: 1683200 3937.3476 20573.5081 14439.3720 248.5293 -203519.8199 2898.3304 0.0000 0.0000 52129.6416 -109293.0909 299.5898 -161422.7326 -108931.9260 298.8749 107.6054 127.9173 762506.2085 -15.5649 -15.5836 PRESSURE: 1683400 -24.2586 -261.941 165.948 -261.941 -98.9401 -110.372 165.948 -110.372 -151.662 GPRESSURE: 1683400 -55.0013 -78.1699 198.852 -232.482 -11.5948 -117.488 73.4313 -236.126 -124.811 PRESSAVG: 1683400 -15.4009 -62.9016 35.4248 -62.9016 -5.67721 -3.92929 35.4248 -3.92935 -19.916 GPRESSAVG: 1683400 -16.036 -62.4425 33.7241 -60.6006 -4.78548 -3.25223 32.4937 -2.27188 -20.1959 TIMING: 1683400 CPU: 5258.94, 0.00313779/step Wall: 5258.94, 0.00313779/step, 2.89078 hours remaining, 236.105469 MB of memory in use. ENERGY: 1683400 3967.1249 20501.7263 14427.1534 260.7681 -203662.0942 2847.7495 0.0000 0.0000 52175.9841 -109481.5880 299.8561 -161657.5720 -109119.5151 299.1097 -91.6201 -63.8023 762409.5777 -13.6647 -13.6724 PRESSURE: 1683600 -267.101 94.9361 1.03146 94.9351 135.463 80.0796 1.03061 80.0799 -123.908 GPRESSURE: 1683600 -179.141 54.7795 46.4804 34.0827 107.215 89.2181 134.943 31.5538 -99.9609 PRESSAVG: 1683600 10.1855 -20.3414 -18.5501 -20.3413 -40.1796 23.0747 -18.55 23.0747 -11.9697 GPRESSAVG: 1683600 12.0596 -20.2375 -19.0371 -22.4643 -40.9156 21.5461 -17.046 21.9889 -12.6283 TIMING: 1683600 CPU: 5259.57, 0.00315182/step Wall: 5259.57, 0.00315182/step, 2.90352 hours remaining, 236.105469 MB of memory in use. ENERGY: 1683600 4027.5253 20572.9074 14472.0750 234.3208 -203558.9399 2893.8402 0.0000 0.0000 51975.1248 -109383.1464 298.7018 -161358.2712 -109024.9924 299.1372 -85.1821 -57.2958 762117.8342 -13.9879 -13.8281 PRESSURE: 1683800 -188.132 -196.485 -149.725 -196.485 -128.247 -21.0811 -149.726 -21.0812 304.649 GPRESSURE: 1683800 -259.382 -133.595 -171.644 -247.54 35.2579 8.50602 -20.149 5.57199 291.581 PRESSAVG: 1683800 -23.6628 -42.7699 55.5664 -42.7699 14.0805 30.7152 55.5664 30.7153 -14.0629 GPRESSAVG: 1683800 -24.6912 -41.9231 56.5882 -42.1582 14.9652 33.3226 53.8384 27.7597 -14.342 TIMING: 1683800 CPU: 5260.2, 0.00314887/step Wall: 5260.2, 0.00314887/step, 2.90063 hours remaining, 236.105469 MB of memory in use. ENERGY: 1683800 3929.0279 20527.2748 14411.3450 243.9789 -202874.8473 2479.9066 0.0000 0.0000 52043.0495 -109240.2647 299.0921 -161283.3142 -108877.1548 299.3376 -3.9099 22.4855 762138.4006 -7.8818 -8.0227 PRESSURE: 1684000 134.463 87.9275 -76.5246 87.928 39.0659 113.35 -76.5244 113.349 10.6119 GPRESSURE: 1684000 190.444 32.856 -96.3969 -12.0574 122.831 154.307 -272.564 36.3324 -77.2745 PRESSAVG: 1684000 -13.4078 -58.2688 32.7035 -58.2688 30.7904 9.83195 32.7035 9.83193 -1.34715 GPRESSAVG: 1684000 -13.0163 -59.7457 33.2767 -57.3595 30.0789 8.1515 32.4392 12.3924 -1.09041 TIMING: 1684000 CPU: 5260.83, 0.00316087/step Wall: 5260.83, 0.00316087/step, 2.91151 hours remaining, 236.105469 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: 1684000 4020.6168 20411.2519 14429.1909 255.3785 -203194.5787 2669.4283 0.0000 0.0000 52110.6999 -109298.0124 299.4809 -161408.7123 -108938.9817 299.3408 61.3802 78.6666 764201.2259 5.3452 5.3240 PRESSURE: 1684200 -82.5048 298.751 26.6448 298.751 -66.6655 22.8551 26.6452 22.8555 123.172 GPRESSURE: 1684200 -114.213 220.723 6.55079 244.148 -56.9232 -10.4018 23.0665 49.6879 219.415 PRESSAVG: 1684200 -11.2764 60.6937 12.9247 60.6937 -24.9225 11.4115 12.9248 11.4116 -2.44317 GPRESSAVG: 1684200 -11.2993 61.6483 13.0616 59.201 -24.9994 13.22 13.8484 10.7589 -2.58983 TIMING: 1684200 CPU: 5261.46, 0.00313942/step Wall: 5261.46, 0.00313942/step, 2.89158 hours remaining, 236.105469 MB of memory in use. ENERGY: 1684200 3973.1886 20429.7693 14372.1819 261.3987 -202835.8743 2625.8200 0.0000 0.0000 52103.0837 -109070.4321 299.4371 -161173.5158 -108703.7741 299.4631 -8.6660 16.0929 763616.4047 -12.8807 -12.9628 LDB: ============= START OF LOAD BALANCING ============== 5273.94 LDB: ============== END OF LOAD BALANCING =============== 5273.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5273.94 LDB: ============= START OF LOAD BALANCING ============== 5274.26 LDB: Largest compute 6985 load 0.029955 is 15.4% of average load 0.194949 LDB: Average compute 0.004416 is 2.3% of average load 0.194949 LDB: TIME 5274.26 LOAD: AVG 0.194949 MAX 0.216159 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.812 MB LDB: TIME 5274.26 LOAD: AVG 0.194949 MAX 0.216159 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.906 MB LDB: TIME 5274.26 LOAD: AVG 0.194949 MAX 0.216159 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.906 MB LDB: ============== END OF LOAD BALANCING =============== 5274.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5274.27 PRESSURE: 1684400 -401.01 -68.3083 122.222 -68.3085 -77.2216 -6.71652 122.222 -6.7166 -162.738 GPRESSURE: 1684400 -349.796 -56.723 195.635 -42.0326 -27.5507 16.6536 226.267 30.8364 -183.434 PRESSAVG: 1684400 -27.1315 97.6259 17.3594 97.6258 52.254 20.3735 17.3595 20.3735 13.2668 GPRESSAVG: 1684400 -26.7615 95.7956 16.7694 101.06 52.2877 19.3407 17.9525 19.4297 13.3324 TIMING: 1684400 CPU: 5262.11, 0.0032201/step Wall: 5262.11, 0.0032201/step, 2.96571 hours remaining, 235.636719 MB of memory in use. ENERGY: 1684400 3952.3556 20647.8815 14434.0007 228.1590 -202740.8455 2451.8157 0.0000 0.0000 51972.2716 -109054.3614 298.6854 -161026.6330 -108691.8507 299.6601 -213.6567 -186.9270 763680.3746 12.7964 12.9529 PRESSURE: 1684600 260.736 84.0249 366.39 84.024 309.651 205.247 366.389 205.246 125.53 GPRESSURE: 1684600 349.467 78.9909 289.138 -2.74147 310.969 166.327 369.062 152.186 108.296 PRESSAVG: 1684600 -14.3716 10.6476 38.7173 10.6477 53.0857 -82.302 38.7172 -82.302 -4.43889 GPRESSAVG: 1684600 -14.6611 11.3152 38.3058 10.1477 54.2251 -82.6114 39.5756 -82.4854 -4.92068 TIMING: 1684600 CPU: 5262.73, 0.00314932/step Wall: 5262.73, 0.00314932/step, 2.90035 hours remaining, 235.703125 MB of memory in use. ENERGY: 1684600 3950.0463 20412.3608 14462.5790 242.7717 -203615.9050 3096.2749 0.0000 0.0000 52168.6995 -109283.1727 299.8142 -161451.8722 -108929.1608 299.6506 231.9721 256.2442 761783.4569 11.4251 11.5477 PRESSURE: 1684800 -277.183 -24.6854 104.534 -24.6855 2.74765 -131.5 104.534 -131.499 67.6337 GPRESSURE: 1684800 -255.408 -44.7846 68.1156 -85.2781 87.1382 -89.2524 109.128 -151.03 36.6139 PRESSAVG: 1684800 -22.4894 54.2085 34.4134 54.2085 99.1878 -23.7622 34.4135 -23.7622 -0.523393 GPRESSAVG: 1684800 -21.9295 58.029 33.1561 52.2574 98.136 -21.6592 34.8218 -23.1917 0.0350724 TIMING: 1684800 CPU: 5263.37, 0.00315709/step Wall: 5263.37, 0.00315709/step, 2.90733 hours remaining, 235.703125 MB of memory in use. ENERGY: 1684800 3936.8207 20630.4876 14408.7550 261.3372 -202587.9385 2323.5417 0.0000 0.0000 51821.0841 -109205.9121 297.8165 -161026.9963 -108841.8143 299.4108 -68.9340 -43.8852 762238.9968 25.3917 25.4139 PRESSURE: 1685000 169.559 -95.0755 -217.919 -95.0763 340.08 -107.163 -217.919 -107.162 -300.724 GPRESSURE: 1685000 158.594 -19.128 -168.527 -90.7344 362.54 -51.3031 -141.564 -198.375 -214.844 PRESSAVG: 1685000 -3.34499 30.1325 35.988 30.1325 21.4385 -3.856 35.988 -3.85601 4.73076 GPRESSAVG: 1685000 -3.69767 29.027 39.4453 30.2273 21.6491 -6.58415 34.2289 -3.86059 5.35884 TIMING: 1685000 CPU: 5264, 0.00315462/step Wall: 5264, 0.00315462/step, 2.90488 hours remaining, 235.703125 MB of memory in use. ENERGY: 1685000 4102.7890 20538.1711 14418.8345 231.3013 -202987.9138 2672.4112 0.0000 0.0000 51777.5298 -109246.8769 297.5662 -161024.4066 -108900.5752 299.3432 69.6383 102.0965 761916.2769 7.6081 7.7701 PRESSURE: 1685200 -207.857 -237.938 53.8284 -237.938 -175.546 -160.254 53.8286 -160.253 -324.251 GPRESSURE: 1685200 -192.861 -206.358 -96.1045 -132.1 -183.987 -101.504 41.3631 -61.988 -250.268 PRESSAVG: 1685200 -65.1458 17.1815 29.1849 17.1815 49.7132 -24.7613 29.1849 -24.7614 -17.2103 GPRESSAVG: 1685200 -64.6277 15.2404 29.412 18.1265 49.093 -22.8345 29.9803 -22.6218 -17.4799 TIMING: 1685200 CPU: 5264.63, 0.00314887/step Wall: 5264.63, 0.00314887/step, 2.89941 hours remaining, 235.703125 MB of memory in use. ENERGY: 1685200 3942.3709 20550.9421 14398.6959 235.8820 -202553.1944 2147.2606 0.0000 0.0000 51947.3280 -109330.7149 298.5420 -161278.0429 -108976.9712 298.6714 -235.8846 -209.0387 762501.1027 -10.8809 -11.0049 PRESSURE: 1685400 207.851 -45.8598 213.849 -45.8607 -115.822 38.4194 213.849 38.4192 358.437 GPRESSURE: 1685400 151.664 -42.9168 238.577 -53.7687 13.1707 4.64365 66.2079 44.5905 366.838 PRESSAVG: 1685400 0.747137 15.392 -25.1188 15.392 -15.9828 -47.5417 -25.1188 -47.5417 16.2993 GPRESSAVG: 1685400 0.0813254 15.7389 -27.7837 14.1596 -14.7511 -49.3825 -24.6956 -50.1632 16.022 TIMING: 1685400 CPU: 5265.26, 0.00314111/step Wall: 5265.26, 0.00314111/step, 2.89209 hours remaining, 235.703125 MB of memory in use. ENERGY: 1685400 3896.1752 20456.6768 14507.4214 249.5690 -203285.0909 2730.9431 0.0000 0.0000 51968.2060 -109476.0995 298.6620 -161444.3055 -109115.0837 298.7507 150.1551 177.2242 760156.0940 0.3545 0.4507 PRESSURE: 1685600 -196.371 133.87 -82.2316 133.87 11.4782 50.4554 -82.2312 50.456 -31.8106 GPRESSURE: 1685600 -166.242 29.033 -126.517 57.7352 40.0653 53.0137 4.93027 -120.037 -4.06727 PRESSAVG: 1685600 8.56292 -37.9882 -19.5912 -37.9882 15.3906 -1.08368 -19.5912 -1.08374 -11.809 GPRESSAVG: 1685600 8.19068 -37.818 -18.4645 -38.0175 16.7201 1.51224 -19.8717 -3.02109 -12.4136 TIMING: 1685600 CPU: 5265.89, 0.00315565/step Wall: 5265.89, 0.00315565/step, 2.9053 hours remaining, 235.703125 MB of memory in use. ENERGY: 1685600 3939.6485 20493.1340 14430.5616 248.1876 -202688.6329 2209.8848 0.0000 0.0000 51813.8284 -109553.3880 297.7748 -161367.2164 -109196.8142 298.3610 -72.2344 -43.4148 762057.6011 4.0482 4.1657 PRESSURE: 1685800 -284.521 34.7417 17.3166 34.7412 -321.961 278.64 17.3165 278.64 -30.5253 GPRESSURE: 1685800 -221.011 35.3223 -60.6503 -10.0666 -313.198 276.298 55.1685 266.936 -27.2524 PRESSAVG: 1685800 7.2234 -20.7652 25.4805 -20.7651 13.5726 19.7204 25.4805 19.7204 -8.80515 GPRESSAVG: 1685800 9.84478 -23.4625 24.5878 -20.0407 10.9315 17.7145 25.7198 21.8059 -8.59025 TIMING: 1685800 CPU: 5266.52, 0.00314933/step Wall: 5266.52, 0.00314933/step, 2.8993 hours remaining, 235.703125 MB of memory in use. ENERGY: 1685800 3858.0567 20540.1952 14405.2447 257.0013 -203139.9574 2522.9212 0.0000 0.0000 52020.5484 -109535.9899 298.9628 -161556.5383 -109172.3538 298.8155 -212.3357 -187.1538 761684.8590 3.9969 4.0620 PRESSURE: 1686000 -246.682 -50.8751 -226.874 -50.876 -204.956 37.7296 -226.874 37.7295 -494.102 GPRESSURE: 1686000 -244.071 25.347 -240.102 -50.6487 -117.471 3.63531 -146.821 116.127 -486.737 PRESSAVG: 1686000 -11.0772 7.94868 -13.22 7.94865 18.8853 -25.0751 -13.22 -25.0752 -19.9653 GPRESSAVG: 1686000 -13.427 10.6859 -13.5244 7.43781 20.486 -23.8086 -12.4238 -27.1726 -19.7939 TIMING: 1686000 CPU: 5267.15, 0.00315141/step Wall: 5267.15, 0.00315141/step, 2.90105 hours remaining, 235.703125 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: 1686000 3995.2627 20442.6448 14409.7876 230.0433 -203156.2642 2606.1922 0.0000 0.0000 51877.2645 -109595.0691 298.1394 -161472.3336 -109234.7419 298.1462 -315.2466 -282.7597 762161.2704 -4.0524 -4.2450 PRESSURE: 1686200 282.444 191.042 19.0678 191.042 45.2377 250.324 19.0684 250.323 -266.376 GPRESSURE: 1686200 277.137 56.5159 41.601 286.345 120.402 200.07 6.2386 246.467 -236.54 PRESSAVG: 1686200 -51.0517 4.04862 -27.1599 4.04863 8.22347 -39.95 -27.1599 -39.9501 -18.5605 GPRESSAVG: 1686200 -50.1636 6.54107 -26.3074 4.64887 8.00409 -41.0283 -26.6531 -37.6816 -19.3553 TIMING: 1686200 CPU: 5267.78, 0.0031543/step Wall: 5267.78, 0.0031543/step, 2.90354 hours remaining, 235.703125 MB of memory in use. ENERGY: 1686200 3973.3761 20481.1007 14318.1888 253.2738 -202973.3726 2713.0053 0.0000 0.0000 51751.6917 -109482.7363 297.4177 -161234.4279 -109122.5041 298.1443 20.4352 53.6663 762551.6336 -20.4629 -20.5049 PRESSURE: 1686400 253.16 8.51588 -96.0709 8.51616 134.66 14.9472 -96.0711 14.9457 193.479 GPRESSURE: 1686400 330.204 -19.6166 -38.1207 -88.3923 196.081 -15.1165 -64.2946 -18.6036 137.969 PRESSAVG: 1686400 -63.9977 -13.2513 -14.21 -13.2512 59.9231 -6.76951 -14.21 -6.76953 36.6216 GPRESSAVG: 1686400 -64.851 -15.7542 -14.041 -14.7137 59.9835 -8.29947 -14.0913 -4.79318 37.4179 TIMING: 1686400 CPU: 5268.41, 0.00315589/step Wall: 5268.41, 0.00315589/step, 2.90482 hours remaining, 235.703125 MB of memory in use. ENERGY: 1686400 4018.0291 20453.3303 14396.1517 235.7830 -203578.3670 2849.4940 0.0000 0.0000 51928.8774 -109696.7015 298.4360 -161625.5790 -109332.2396 298.0388 193.7662 221.4182 760144.5705 10.8490 10.8501 PRESSURE: 1686600 -69.9387 14.9085 176.679 14.9073 -99.7846 167.294 176.678 167.294 174.296 GPRESSURE: 1686600 20.5439 46.7309 125.69 80.2361 -102.053 148.171 137.635 131.428 153.694 PRESSAVG: 1686600 2.19332 2.58058 39.791 2.58064 18.6372 -6.56243 39.791 -6.5625 15.6568 GPRESSAVG: 1686600 1.16235 1.57911 39.3942 3.53922 18.7752 -5.18646 38.3546 -9.23878 16.3123 TIMING: 1686600 CPU: 5269.04, 0.003158/step Wall: 5269.04, 0.003158/step, 2.90659 hours remaining, 235.703125 MB of memory in use. ENERGY: 1686600 3949.3284 20406.3406 14405.1997 222.8980 -203079.3530 2498.1317 0.0000 0.0000 51928.4216 -109669.0329 298.4334 -161597.4545 -109307.6508 298.5077 1.5244 24.0617 762069.4550 12.1625 12.0833 PRESSURE: 1686800 -69.0284 -7.0409 -245.262 -7.04133 176.037 -90.0255 -245.261 -90.026 183.719 GPRESSURE: 1686800 -125.126 -162.061 -300.334 -117.074 253.92 -104.274 -161.001 -128.187 247.067 PRESSAVG: 1686800 27.9695 -38.3347 -14.9132 -38.3347 -17.3061 -20.4408 -14.9132 -20.4408 22.7515 GPRESSAVG: 1686800 28.7356 -38.3991 -15.8397 -37.2285 -16.4059 -20.4615 -12.6696 -20.5734 21.8961 TIMING: 1686800 CPU: 5269.67, 0.00314319/step Wall: 5269.67, 0.00314319/step, 2.89278 hours remaining, 235.703125 MB of memory in use. ENERGY: 1686800 3972.9377 20435.5076 14382.4179 254.6099 -203515.7279 2905.6362 0.0000 0.0000 51915.2034 -109649.4152 298.3574 -161564.6186 -109295.3175 298.1573 96.9092 125.2869 761817.0879 11.1383 11.4086 PRESSURE: 1687000 18.9963 44.8067 -317.005 44.8062 191.74 -115.045 -317.005 -115.045 -31.1339 GPRESSURE: 1687000 24.6035 51.2628 -363.001 -3.64701 310.185 -137.827 -188.099 -97.156 -82.851 PRESSAVG: 1687000 -15.9904 34.8635 -30.7125 34.8635 24.6296 47.2818 -30.7125 47.2819 -16.9495 GPRESSAVG: 1687000 -15.3683 37.9909 -29.9484 30.6454 23.0637 48.2503 -29.8456 47.4693 -16.4993 TIMING: 1687000 CPU: 5270.3, 0.00315779/step Wall: 5270.3, 0.00315779/step, 2.90605 hours remaining, 235.703125 MB of memory in use. ENERGY: 1687000 3991.7955 20404.6260 14357.9955 255.2589 -203160.2398 2577.2842 0.0000 0.0000 52224.0285 -109349.2513 300.1322 -161573.2797 -108981.5956 298.7398 59.8676 83.9793 761990.3949 -2.7701 -2.9346 PRESSURE: 1687200 -82.3019 14.8679 156.666 14.8672 -75.0513 107.85 156.664 107.85 -50.3768 GPRESSURE: 1687200 -120.186 130.299 27.3179 140.957 50.5471 144.109 175.989 86.3109 -43.9394 PRESSAVG: 1687200 18.3482 26.7054 1.68758 26.7053 -12.7606 -9.07255 1.68763 -9.0726 -25.7017 GPRESSAVG: 1687200 17.7214 26.0714 2.14339 27.7826 -11.4001 -10.0401 0.387251 -7.03842 -25.8843 TIMING: 1687200 CPU: 5270.93, 0.00315405/step Wall: 5270.93, 0.00315405/step, 2.90243 hours remaining, 235.703125 MB of memory in use. ENERGY: 1687200 3914.0683 20617.7527 14419.2927 226.8218 -202647.9364 2268.0908 0.0000 0.0000 52087.8464 -109114.0638 299.3496 -161201.9102 -108732.7959 299.4150 -69.2433 -37.8594 762660.5723 -6.7047 -6.5210 PRESSURE: 1687400 252.193 190.614 -164.078 190.614 -150.914 94.6419 -164.077 94.6418 166.046 GPRESSURE: 1687400 259.487 129.892 -143.035 279.589 -73.5991 51.1078 -108.114 139.898 159.875 PRESSAVG: 1687400 14.8958 11.7771 -15.987 11.7771 11.1202 76.9658 -15.9869 76.9657 14.1101 GPRESSAVG: 1687400 13.9369 10.2172 -16.6397 14.5282 10.5126 77.5853 -16.3305 75.9673 14.8469 TIMING: 1687400 CPU: 5271.57, 0.00317396/step Wall: 5271.57, 0.00317396/step, 2.92057 hours remaining, 235.703125 MB of memory in use. ENERGY: 1687400 3967.5082 20675.7743 14464.2838 277.3892 -203065.7135 2770.0349 0.0000 0.0000 51955.6334 -108955.0897 298.5897 -160910.7231 -108596.1130 299.4412 89.1084 115.2546 760868.8361 13.3753 13.0988 PRESSURE: 1687600 26.3946 -71.4173 -16.1563 -71.4173 -104.669 -28.1421 -16.1561 -28.1418 -395.753 GPRESSURE: 1687600 13.4038 -66.8491 -6.05864 -126.147 -59.1737 -68.2995 -18.7635 34.586 -336.901 PRESSAVG: 1687600 4.46804 -20.7574 -48.4339 -20.7574 -14.1546 30.4629 -48.4339 30.4629 3.99535 GPRESSAVG: 1687600 4.3596 -20.6855 -47.8387 -21.8742 -13.344 31.0068 -49.9517 30.7613 3.7341 TIMING: 1687600 CPU: 5272.2, 0.00317226/step Wall: 5272.2, 0.00317226/step, 2.91883 hours remaining, 235.703125 MB of memory in use. ENERGY: 1687600 4043.3219 20522.5006 14420.7496 236.8438 -202652.0772 2364.8173 0.0000 0.0000 52107.1692 -108956.6749 299.4606 -161063.8440 -108597.0683 299.6446 -158.0091 -127.5571 762876.3150 -1.8971 -1.7501 PRESSURE: 1687800 -34.5122 198.042 -72.3107 198.042 211.822 242.421 -72.3103 242.422 100.274 GPRESSURE: 1687800 0.902573 141.944 -2.44439 273.983 291.888 282.438 -158.51 179.908 72.1675 PRESSAVG: 1687800 -34.0342 -13.4569 -35.0574 -13.4569 29.6483 49.4412 -35.0574 49.4412 2.48027 GPRESSAVG: 1687800 -32.751 -13.9539 -35.0557 -12.6617 29.7107 48.5737 -32.3245 49.4831 1.68062 TIMING: 1687800 CPU: 5272.83, 0.00315482/step Wall: 5272.83, 0.00315482/step, 2.90261 hours remaining, 235.703125 MB of memory in use. ENERGY: 1687800 3934.6110 20488.9203 14436.1419 232.9033 -203139.0779 2831.5824 0.0000 0.0000 52029.3441 -109185.5750 299.0134 -161214.9191 -108823.5757 299.4072 92.5277 121.6525 762829.5344 -0.6352 -0.4532 PRESSURE: 1688000 271.721 -102.393 -155.273 -102.393 -51.0458 309.642 -155.273 309.642 -108.532 GPRESSURE: 1688000 282.508 -220.178 -110.785 -72.0323 -70.4625 225.724 -34.6757 158.591 -43.3665 PRESSAVG: 1688000 -5.11224 -20.5895 -39.0079 -20.5894 -6.36331 11.6522 -39.0079 11.6522 6.90985 GPRESSAVG: 1688000 -4.07941 -20.5504 -38.7846 -22.1748 -7.66637 10.4444 -39.904 12.218 6.58575 TIMING: 1688000 CPU: 5273.47, 0.00316871/step Wall: 5273.47, 0.00316871/step, 2.91521 hours remaining, 235.703125 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: 1688000 3957.2140 20590.8227 14457.0814 233.6989 -202707.9278 2424.0328 0.0000 0.0000 52207.3186 -108837.7594 300.0362 -161045.0780 -108470.5968 299.6188 37.3812 56.2262 763363.8401 -1.5219 -1.7200 PRESSURE: 1688200 -68.1224 -46.8331 -154.383 -46.8342 -153.739 -223.968 -154.383 -223.968 347.583 GPRESSURE: 1688200 -133.419 48.7382 -150.302 -19.5909 -71.7347 -184.975 16.1569 -258.38 409.864 PRESSAVG: 1688200 31.1607 -15.2614 -12.9983 -15.2613 -75.7789 -41.8031 -12.9983 -41.8031 11.554 GPRESSAVG: 1688200 29.204 -14.7889 -14.2619 -15.0877 -73.0061 -39.8124 -11.6939 -43.2041 11.094 TIMING: 1688200 CPU: 5274.1, 0.00316221/step Wall: 5274.1, 0.00316221/step, 2.90906 hours remaining, 235.703125 MB of memory in use. ENERGY: 1688200 4017.4902 20464.8832 14492.2646 252.4084 -202789.3374 2637.3284 0.0000 0.0000 52141.3980 -108783.5647 299.6573 -160924.9626 -108413.9348 299.5940 41.9072 68.2370 763870.0461 -11.0214 -10.9027 LDB: ============= START OF LOAD BALANCING ============== 5286.58 LDB: ============== END OF LOAD BALANCING =============== 5286.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5286.58 LDB: ============= START OF LOAD BALANCING ============== 5286.9 LDB: Largest compute 6985 load 0.029959 is 15.4% of average load 0.194966 LDB: Average compute 0.004427 is 2.3% of average load 0.194966 LDB: TIME 5286.9 LOAD: AVG 0.194966 MAX 0.217654 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.508 MB LDB: TIME 5286.9 LOAD: AVG 0.194966 MAX 0.217654 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.512 MB LDB: TIME 5286.9 LOAD: AVG 0.194966 MAX 0.215153 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.512 MB LDB: ============== END OF LOAD BALANCING =============== 5286.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5286.91 PRESSURE: 1688400 -63.5997 101.196 106.542 101.196 405.39 130.978 106.542 130.979 -65.0602 GPRESSURE: 1688400 -43.8894 129.859 105.579 93.5212 369.956 60.6232 22.9149 175.001 27.4094 PRESSAVG: 1688400 0.92965 -28.1047 -10.6344 -28.1048 27.8453 -19.1425 -10.6344 -19.1425 -19.3749 GPRESSAVG: 1688400 1.91445 -28.1882 -9.92659 -28.3034 26.2631 -19.8928 -13.0061 -18.6328 -18.5993 TIMING: 1688400 CPU: 5274.74, 0.00322206/step Wall: 5274.74, 0.00322206/step, 2.96393 hours remaining, 234.824219 MB of memory in use. ENERGY: 1688400 4021.2407 20632.7308 14416.9070 244.3371 -202734.0755 2708.3146 0.0000 0.0000 52128.4570 -108582.0881 299.5830 -160710.5452 -108223.1467 300.1666 92.2434 117.8255 763385.6559 3.1333 3.1928 PRESSURE: 1688600 -184.972 13.8864 -46.4737 13.8874 -151.305 28.6034 -46.4734 28.6042 -266.802 GPRESSURE: 1688600 -100.357 -74.896 0.19615 239.608 -167.02 108.749 -46.4159 -157.357 -244.667 PRESSAVG: 1688600 13.8241 -19.0175 -49.2217 -19.0174 32.6898 -21.6739 -49.2216 -21.6739 -5.14492 GPRESSAVG: 1688600 16.2126 -19.7715 -48.9734 -17.7988 31.3815 -21.3458 -50.9899 -21.094 -5.54747 TIMING: 1688600 CPU: 5275.37, 0.00314157/step Wall: 5275.37, 0.00314157/step, 2.88972 hours remaining, 234.824219 MB of memory in use. ENERGY: 1688600 4004.7216 20547.2299 14451.5145 251.7676 -202450.5984 2506.7605 0.0000 0.0000 52023.6683 -108664.9358 298.9807 -160688.6041 -108300.5528 300.2205 -201.0262 -170.6813 763798.0708 13.7897 14.0155 PRESSURE: 1688800 253.794 59.9176 87.3839 59.9186 -250.174 -179.29 87.3836 -179.29 -74.7234 GPRESSURE: 1688800 146.751 1.21868 19.9646 12.2429 -160.219 -145.145 20.507 -160.349 28.8222 PRESSAVG: 1688800 16.8954 -19.233 -18.1334 -19.233 -11.6706 -6.4192 -18.1334 -6.41917 -25.3175 GPRESSAVG: 1688800 15.5253 -17.986 -17.6583 -19.8405 -11.2564 -7.79468 -16.5412 -7.82432 -24.3662 TIMING: 1688800 CPU: 5276, 0.00316411/step Wall: 5276, 0.00316411/step, 2.91028 hours remaining, 234.824219 MB of memory in use. ENERGY: 1688800 3964.2411 20472.4058 14482.2092 265.4132 -202639.8940 2434.4661 0.0000 0.0000 52262.9773 -108758.1814 300.3560 -161021.1587 -108397.8069 300.0993 -23.7011 5.1180 762477.1157 -6.6976 -6.6991 PRESSURE: 1689000 153.97 -186.337 -213.888 -186.337 57.4825 79.4763 -213.888 79.4766 467.367 GPRESSURE: 1689000 213.944 -128.456 -103.658 -34.6445 130.051 120.254 -150.976 85.7057 416.395 PRESSAVG: 1689000 -10.4165 32.1815 -65.4839 32.1815 7.07516 22.1863 -65.4839 22.1864 9.65069 GPRESSAVG: 1689000 -10.25 29.7499 -65.4979 33.9187 6.9682 24.9663 -66.1068 22.4701 9.26553 TIMING: 1689000 CPU: 5276.63, 0.00315213/step Wall: 5276.63, 0.00315213/step, 2.89908 hours remaining, 234.824219 MB of memory in use. ENERGY: 1689000 3978.4191 20557.8444 14489.2895 254.6901 -202998.2633 2776.7579 0.0000 0.0000 52106.1269 -108835.1354 299.4546 -160941.2622 -108483.2442 300.0629 226.2731 253.4633 763412.1419 2.1031 1.9946 PRESSURE: 1689200 373.538 -149.089 58.8113 -149.091 24.5913 254.74 58.8114 254.74 -40.8947 GPRESSURE: 1689200 368.082 -121.471 -78.0304 -145.863 29.043 211.848 118.001 127.471 37.6807 PRESSAVG: 1689200 6.82131 58.7248 -41.3969 58.7248 20.3575 -28.9235 -41.3969 -28.9236 -8.12372 GPRESSAVG: 1689200 5.15029 59.8495 -43.7645 57.0982 20.8594 -29.4916 -41.3427 -31.1462 -6.96147 TIMING: 1689200 CPU: 5277.27, 0.00315888/step Wall: 5277.27, 0.00315888/step, 2.90512 hours remaining, 234.824219 MB of memory in use. ENERGY: 1689200 3970.1057 20389.0426 14567.0766 268.5097 -203222.0106 2971.6697 0.0000 0.0000 52178.7876 -108876.8187 299.8722 -161055.6063 -108519.3129 300.1489 119.0783 144.9352 763625.0348 6.3517 6.3494 PRESSURE: 1689400 45.9256 -8.70078 -165.178 -8.70145 -190.014 -403.245 -165.177 -403.244 220.686 GPRESSURE: 1689400 -7.54945 -30.386 -112.453 -4.90465 -86.3273 -225.951 -242.97 -231.396 280.71 PRESSAVG: 1689400 -27.8981 -6.9028 -7.81612 -6.90283 6.0287 36.8096 -7.81612 36.8097 -1.24048 GPRESSAVG: 1689400 -26.6675 -5.59313 -6.76989 -6.60993 5.54241 36.8521 -8.87487 38.8083 -1.95983 TIMING: 1689400 CPU: 5277.89, 0.00313332/step Wall: 5277.89, 0.00313332/step, 2.88144 hours remaining, 234.824219 MB of memory in use. ENERGY: 1689400 3997.6182 20555.8975 14439.6031 248.7768 -203013.5982 2678.8285 0.0000 0.0000 52019.2485 -109073.6256 298.9553 -161092.8741 -108720.5163 299.7499 25.5327 62.2777 764775.7568 -7.7033 -7.6950 PRESSURE: 1689600 57.2138 53.5577 -1.39088 53.5577 -316.913 337.611 -1.39096 337.611 -52.3928 GPRESSURE: 1689600 31.5203 150.646 6.91441 17.3575 -265.92 367.987 26.0742 308.475 -4.49162 PRESSAVG: 1689600 26.5799 -9.1797 -19.6737 -9.1797 -46.8704 23.0787 -19.6737 23.0788 -9.7001 GPRESSAVG: 1689600 26.413 -10.6712 -18.609 -9.86111 -45.5315 22.2277 -18.1551 23.9143 -11.1625 TIMING: 1689600 CPU: 5278.52, 0.00316471/step Wall: 5278.52, 0.00316471/step, 2.91012 hours remaining, 234.824219 MB of memory in use. ENERGY: 1689600 3997.2202 20412.4535 14449.1020 264.7020 -203247.6940 2891.7402 0.0000 0.0000 52237.1762 -108995.2999 300.2078 -161232.4761 -108614.6396 299.4519 -104.0308 -79.6306 763292.8318 -9.9969 -10.0937 PRESSURE: 1689800 173.463 50.0419 -53.7312 50.0406 57.4702 230.713 -53.731 230.713 147.33 GPRESSURE: 1689800 143.593 -97.8849 -48.7893 56.1927 146.247 199 -124.96 189.546 156.964 PRESSAVG: 1689800 -29.323 -23.9984 -35.3016 -23.9984 26.7978 45.5085 -35.3015 45.5085 4.34737 GPRESSAVG: 1689800 -30.1936 -22.7956 -35.7665 -25.7301 25.8419 43.9302 -33.0854 46.3861 5.55593 TIMING: 1689800 CPU: 5279.16, 0.00315449/step Wall: 5279.16, 0.00315449/step, 2.90055 hours remaining, 234.824219 MB of memory in use. ENERGY: 1689800 3975.7069 20551.3271 14438.2039 253.6111 -203404.7454 2813.0690 0.0000 0.0000 52098.6427 -109274.1846 299.4116 -161372.8274 -108909.4929 299.4476 126.0878 148.9349 762325.9613 0.6074 0.4014 PRESSURE: 1690000 -369.087 59.75 -24.0017 59.7502 -186.547 -39.4355 -24.0019 -39.4362 -3.04518 GPRESSURE: 1690000 -213.535 -106.055 12.7552 204.351 -230.674 4.38545 -115.778 13.1166 -21.3708 PRESSAVG: 1690000 -37.952 -10.2706 15.6874 -10.2706 31.919 48.548 15.6874 48.548 -0.23098 GPRESSAVG: 1690000 -37.7533 -9.40294 16.4728 -10.1692 32.1185 49.4176 15.0293 46.7446 -0.585087 TIMING: 1690000 CPU: 5279.79, 0.00315115/step Wall: 5279.79, 0.00315115/step, 2.89731 hours remaining, 234.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1690000 4007.7451 20453.6438 14401.2576 252.5200 -203168.1948 2701.6369 0.0000 0.0000 52264.7857 -109086.6058 300.3664 -161351.3914 -108723.8619 299.2425 -186.2261 -155.1932 763080.9592 -2.0880 -2.0733 PRESSURE: 1690200 10.9134 190.792 -46.0336 190.791 222.847 -27.6224 -46.0329 -27.623 264.87 GPRESSURE: 1690200 71.9912 226.218 -130.771 274.911 206.941 55.3429 36.5091 131.969 308.247 PRESSAVG: 1690200 -15.398 10.2414 4.51961 10.2415 28.4769 26.0593 4.51967 26.0593 3.38077 GPRESSAVG: 1690200 -13.4503 9.0567 3.22377 11.4289 29.2095 27.1791 4.66875 27.8066 1.00519 TIMING: 1690200 CPU: 5280.42, 0.00316896/step Wall: 5280.42, 0.00316895/step, 2.9135 hours remaining, 234.824219 MB of memory in use. ENERGY: 1690200 3988.5806 20585.2086 14448.0688 235.7018 -203188.9159 2650.7293 0.0000 0.0000 52151.9816 -109128.6452 299.7182 -161280.6268 -108761.9691 299.7883 166.2104 195.7262 761462.3478 5.4866 5.5882 PRESSURE: 1690400 332.966 93.6596 51.305 93.6603 329.435 -106.499 51.3048 -106.499 187.684 GPRESSURE: 1690400 441.676 15.516 128.39 182.603 306.729 -107.541 78.2972 -48.4053 192.264 PRESSAVG: 1690400 45.762 -2.3293 16.0328 -2.32927 -4.78189 -21.1062 16.0328 -21.1063 4.05041 GPRESSAVG: 1690400 43.5949 -1.39632 17.4539 -3.7194 -4.59782 -20.7218 16.3711 -22.8616 6.52939 TIMING: 1690400 CPU: 5281.05, 0.00317176/step Wall: 5281.05, 0.00317176/step, 2.9159 hours remaining, 234.824219 MB of memory in use. ENERGY: 1690400 3977.8479 20672.7006 14404.6405 239.6925 -203622.8346 2984.0726 0.0000 0.0000 52145.4563 -109198.4242 299.6807 -161343.8805 -108840.9524 300.1106 283.3617 313.5563 761850.1567 15.0102 15.1755 PRESSURE: 1690600 -180.846 74.1074 -91.4187 74.1067 -188.271 39.657 -91.419 39.6574 -144.281 GPRESSURE: 1690600 -178.096 25.3431 -76.8709 -56.2827 -142.601 36.7096 -7.8459 -67.6229 -93.1293 PRESSAVG: 1690600 45.0921 10.7928 -31.6838 10.7928 -4.81141 5.49935 -31.6839 5.49933 -10.707 GPRESSAVG: 1690600 46.4168 9.59531 -31.6504 11.9346 -5.71605 4.08735 -30.5964 4.74238 -10.9107 TIMING: 1690600 CPU: 5281.68, 0.00314026/step Wall: 5281.68, 0.00314026/step, 2.88677 hours remaining, 234.824219 MB of memory in use. ENERGY: 1690600 3985.0012 20470.1729 14415.8647 239.1001 -202913.4524 2536.6503 0.0000 0.0000 52014.6505 -109252.0129 298.9289 -161266.6634 -108888.8738 299.5287 -171.1324 -137.9422 762127.2468 9.8579 9.9300 PRESSURE: 1690800 151.722 -26.7906 -196.108 -26.7907 176.94 80.1776 -196.107 80.1775 276.434 GPRESSURE: 1690800 167.074 43.9644 -118.993 27.4197 210.809 74.4926 -218.849 40.5838 301.344 PRESSAVG: 1690800 41.6415 0.640843 17.3647 0.640878 -28.612 17.8764 17.3648 17.8764 3.11101 GPRESSAVG: 1690800 41.6038 -0.00774464 15.6641 1.79025 -28.2125 18.3217 17.1167 19.1915 3.27161 TIMING: 1690800 CPU: 5282.31, 0.00316048/step Wall: 5282.31, 0.00316048/step, 2.90518 hours remaining, 234.824219 MB of memory in use. ENERGY: 1690800 3902.0056 20590.5133 14417.7323 243.7699 -203376.0352 2819.2995 0.0000 0.0000 52003.9770 -109398.7376 298.8676 -161402.7146 -109044.1601 298.7522 201.6989 226.4091 761595.0606 5.3802 5.5543 PRESSURE: 1691000 120.745 -130.923 182.504 -130.923 -15.3196 107.052 182.505 107.051 -707.341 GPRESSURE: 1691000 128.717 -147.438 269.53 -56.2383 -27.7532 80.7531 135.749 177.769 -616.837 PRESSAVG: 1691000 -14.2321 4.40901 -63.7919 4.40901 -29.3402 41.4932 -63.7919 41.4932 8.48029 GPRESSAVG: 1691000 -15.9004 5.06283 -62.7088 3.53663 -27.8224 41.3816 -64.3474 40.8232 8.42113 TIMING: 1691000 CPU: 5282.95, 0.00316143/step Wall: 5282.95, 0.00316143/step, 2.90588 hours remaining, 234.824219 MB of memory in use. ENERGY: 1691000 3990.7387 20431.8922 14427.8798 247.7793 -203024.2371 2637.5523 0.0000 0.0000 52054.1999 -109234.1949 299.1562 -161288.3948 -108865.9067 299.3228 -200.6385 -171.9579 762276.9400 -11.6974 -11.7672 PRESSURE: 1691200 -332.138 -22.7953 -114.725 -22.7959 -149.474 -105.226 -114.726 -105.227 24.0357 GPRESSURE: 1691200 -274.761 35.0784 -113.96 20.8743 -111.409 -113.718 -55.2649 -124.698 13.8357 PRESSAVG: 1691200 5.18271 -2.12672 11.0596 -2.12673 -12.4499 -16.3323 11.0596 -16.3323 -11.8166 GPRESSAVG: 1691200 7.20016 -4.04525 9.6304 -1.41784 -13.3289 -16.0681 10.8246 -17.8802 -12.9191 TIMING: 1691200 CPU: 5283.58, 0.00317278/step Wall: 5283.58, 0.00317278/step, 2.91614 hours remaining, 234.824219 MB of memory in use. ENERGY: 1691200 4046.2074 20619.2497 14406.1603 255.5481 -202600.5314 2406.4819 0.0000 0.0000 52017.7583 -108849.1258 298.9468 -160866.8841 -108477.9466 299.2110 -152.5256 -124.1116 762419.6696 -6.3612 -6.3493 PRESSURE: 1691400 102.736 -61.5472 -166.999 -61.5475 -40.4732 -34.9082 -166.999 -34.9075 -195.094 GPRESSURE: 1691400 120.458 -69.1424 -119.156 -44.2207 -37.3292 -46.3531 -97.0357 -147.611 -142.894 PRESSAVG: 1691400 -10.9084 -5.94793 -31.316 -5.94793 45.4449 -4.14308 -31.316 -4.14309 -6.77507 GPRESSAVG: 1691400 -10.3177 -3.56262 -28.0588 -7.53087 43.9373 -5.43608 -33.4892 -1.6474 -6.25496 TIMING: 1691400 CPU: 5284.21, 0.00316274/step Wall: 5284.21, 0.00316274/step, 2.90674 hours remaining, 234.824219 MB of memory in use. ENERGY: 1691400 4048.0505 20596.1031 14347.3902 254.9050 -203129.5175 2698.0994 0.0000 0.0000 52108.7048 -109076.2645 299.4694 -161184.9692 -108713.6610 299.9948 -44.2773 -19.9217 760870.9280 9.2538 9.1215 PRESSURE: 1691600 -569.907 197.947 100.358 197.946 -279.987 -197.171 100.358 -197.17 117.133 GPRESSURE: 1691600 -510.632 184.415 126.822 103.519 -222.09 -227.254 194.194 -153.783 90.5034 PRESSAVG: 1691600 -42.8141 37.7542 15.9885 37.7543 44.1811 -18.0398 15.9885 -18.0398 -0.235684 GPRESSAVG: 1691600 -42.5794 38.1691 13.1841 37.6292 44.8352 -19.6594 18.9089 -16.6231 -0.548777 TIMING: 1691600 CPU: 5284.84, 0.00314278/step Wall: 5284.84, 0.00314278/step, 2.88822 hours remaining, 234.824219 MB of memory in use. ENERGY: 1691600 3918.3503 20614.5496 14359.3500 267.4562 -202379.6274 2195.5933 0.0000 0.0000 52217.5127 -108806.8154 300.0948 -161024.3280 -108449.0343 299.6968 -244.2535 -214.0729 763569.3673 0.3771 0.5690 PRESSURE: 1691800 -30.5447 103.643 87.239 103.643 214.458 -36.9496 87.2377 -36.9496 -392.158 GPRESSURE: 1691800 14.0774 124.418 140.345 50.8672 207.653 39.2707 68.1101 7.01357 -342.848 PRESSAVG: 1691800 -36.8145 24.7273 -54.8979 24.7273 50.0843 1.62683 -54.898 1.6268 -16.438 GPRESSAVG: 1691800 -36.8225 23.3843 -54.1021 26.1531 50.1522 2.30718 -55.3804 0.0697272 -16.7145 TIMING: 1691800 CPU: 5285.47, 0.00315204/step Wall: 5285.47, 0.00315204/step, 2.89655 hours remaining, 234.824219 MB of memory in use. ENERGY: 1691800 3969.3873 20521.4328 14439.8328 249.9539 -203155.3882 2774.6795 0.0000 0.0000 52383.1006 -108817.0013 301.0464 -161200.1019 -108454.0447 300.0235 -69.4150 -40.3727 762180.7549 -1.0561 -1.1282 PRESSURE: 1692000 0.246998 131.506 58.1925 131.506 110.473 -120.4 58.1916 -120.4 -79.5919 GPRESSURE: 1692000 79.6738 128.812 14.247 157.306 79.7947 -235.968 -79.4048 -6.63155 -32.1137 PRESSAVG: 1692000 17.2503 -10.4904 -44.7482 -10.4904 -40.1237 -22.4718 -44.7482 -22.4718 6.5614 GPRESSAVG: 1692000 17.5107 -8.97076 -45.193 -10.3749 -41.5727 -21.9474 -43.1441 -24.4183 7.7784 TIMING: 1692000 CPU: 5286.1, 0.00313623/step Wall: 5286.1, 0.00313623/step, 2.88185 hours remaining, 234.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1692000 4142.4962 20497.6689 14397.4121 235.5989 -203257.8602 2979.0165 0.0000 0.0000 52273.0922 -108732.5754 300.4142 -161005.6676 -108365.4475 300.6119 10.3761 42.4516 763231.3326 -5.4373 -5.4279 PRESSURE: 1692200 -26.6555 206.125 35.4938 206.125 42.058 -215.068 35.4944 -215.069 -26.8451 GPRESSURE: 1692200 58.7369 160.236 85.6483 150.449 47.7311 -145.365 -72.4689 -216.585 -8.50435 PRESSAVG: 1692200 -3.24008 -20.3513 -55.2935 -20.3513 27.2109 -93.773 -55.2936 -93.773 15.705 GPRESSAVG: 1692200 -4.96219 -21.3686 -55.366 -20.3993 29.358 -93.3833 -55.8048 -93.1371 15.2707 TIMING: 1692200 CPU: 5286.72, 0.00312227/step Wall: 5286.72, 0.00312227/step, 2.86884 hours remaining, 234.824219 MB of memory in use. ENERGY: 1692200 4073.1897 20577.0994 14430.4985 240.0958 -203310.9421 2746.5567 0.0000 0.0000 52114.8022 -109128.6999 299.5045 -161243.5021 -108778.4187 300.0517 -3.8142 32.6545 760984.7561 13.2253 13.2222 LDB: ============= START OF LOAD BALANCING ============== 5299.2 LDB: ============== END OF LOAD BALANCING =============== 5299.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5299.21 LDB: ============= START OF LOAD BALANCING ============== 5299.52 LDB: Largest compute 7059 load 0.031026 is 15.9% of average load 0.195037 LDB: Average compute 0.004414 is 2.3% of average load 0.195037 LDB: TIME 5299.53 LOAD: AVG 0.195037 MAX 0.215275 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.512 MB LDB: TIME 5299.53 LOAD: AVG 0.195037 MAX 0.215275 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.715 MB LDB: TIME 5299.53 LOAD: AVG 0.195037 MAX 0.215275 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.715 MB LDB: ============== END OF LOAD BALANCING =============== 5299.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5299.53 PRESSURE: 1692400 -618.36 -12.8787 -52.4996 -12.8787 -293.473 -174.141 -52.4988 -174.141 -390.558 GPRESSURE: 1692400 -470.73 -18.9957 -74.5768 32.7011 -361.483 -134.81 -144.432 -146.65 -373.207 PRESSAVG: 1692400 -22.7066 29.3234 -18.6188 29.3234 -6.43275 -55.9678 -18.6188 -55.9677 -14.5503 GPRESSAVG: 1692400 -20.6447 28.1774 -20.3529 29.7941 -9.42159 -56.0005 -19.2576 -55.9675 -13.9231 TIMING: 1692400 CPU: 5287.37, 0.00321532/step Wall: 5287.37, 0.00321532/step, 2.95416 hours remaining, 235.281250 MB of memory in use. ENERGY: 1692400 4115.8555 20550.2459 14473.2353 255.5865 -202982.4096 2438.9140 0.0000 0.0000 51965.5655 -109183.0070 298.6468 -161148.5724 -108823.1630 299.8670 -434.1302 -401.8069 761375.0994 -14.5632 -14.6631 PRESSURE: 1692600 127.926 -110.744 105.743 -110.744 -120.092 -336.18 105.743 -336.18 -20.3019 GPRESSURE: 1692600 108.302 -40.578 89.2474 -96.0246 43.3483 -339.917 56.5876 -268.078 -77.6252 PRESSAVG: 1692600 46.6749 46.0077 -73.8241 46.0078 -18.1296 -54.1393 -73.8241 -54.1394 -13.1787 GPRESSAVG: 1692600 45.4397 46.4031 -70.6101 43.8209 -15.2177 -53.4409 -74.0691 -52.2071 -15.0083 TIMING: 1692600 CPU: 5288, 0.00316227/step Wall: 5288, 0.00316227/step, 2.90525 hours remaining, 235.484375 MB of memory in use. ENERGY: 1692600 3995.4475 20432.0235 14426.3307 252.2045 -203197.2600 2563.9681 0.0000 0.0000 52234.7073 -109292.5784 300.1936 -161527.2857 -108929.6439 299.0764 -4.1559 24.6749 761949.6837 5.1222 5.0712 PRESSURE: 1692800 88.3053 39.7629 -117.761 39.7632 137.659 -199.034 -117.76 -199.034 -73.4755 GPRESSURE: 1692800 157.955 66.8524 -100.168 63.9162 144.746 -84.8855 -65.3366 -224.779 -49.6531 PRESSAVG: 1692800 12.3992 2.73145 -6.06243 2.73147 1.69986 -37.0975 -6.06239 -37.0975 18.6452 GPRESSAVG: 1692800 13.3326 2.37821 -6.02581 3.81501 0.413993 -39.1202 -7.02317 -38.6968 19.0267 TIMING: 1692800 CPU: 5288.63, 0.00315742/step Wall: 5288.63, 0.00315742/step, 2.90062 hours remaining, 235.484375 MB of memory in use. ENERGY: 1692800 4009.9802 20535.6976 14355.4928 240.6884 -203381.1803 3116.7904 0.0000 0.0000 51775.9504 -109346.5806 297.5571 -161122.5310 -108984.1629 299.5308 50.8297 84.3494 762664.1984 10.9147 10.9244 PRESSURE: 1693000 89.9547 5.71109 231.059 5.71048 -105.642 105.758 231.059 105.756 344.766 GPRESSURE: 1693000 142.337 -132.687 212.516 -37.986 -80.1863 105.238 159.724 53.6101 365.228 PRESSAVG: 1693000 18.8847 44.8331 -13.7554 44.8331 18.1422 -15.6637 -13.7554 -15.6638 -5.72973 GPRESSAVG: 1693000 17.3659 46.911 -15.1757 43.244 18.3421 -15.2181 -12.6904 -16.4638 -4.18665 TIMING: 1693000 CPU: 5289.26, 0.00316152/step Wall: 5289.26, 0.00316152/step, 2.9042 hours remaining, 235.484375 MB of memory in use. ENERGY: 1693000 3968.6027 20375.9727 14498.3659 228.6547 -203224.7496 2878.4477 0.0000 0.0000 51985.4847 -109289.2211 298.7613 -161274.7058 -108927.7982 299.3686 109.6928 142.4598 763361.6490 10.4324 10.5071 PRESSURE: 1693200 -81.6792 -5.20708 -36.1878 -5.20613 -296.343 -155.231 -36.1876 -155.23 151.887 GPRESSURE: 1693200 -144.137 10.1713 29.3233 78.6754 -141.501 -100.819 -99.2728 -54.5232 156.496 PRESSAVG: 1693200 14.6753 14.0733 5.26247 14.0733 23.4567 -38.2418 5.2625 -38.2419 3.27925 GPRESSAVG: 1693200 14.6669 13.1184 6.44346 15.6815 24.45 -38.7433 6.49021 -36.8174 2.39441 TIMING: 1693200 CPU: 5289.89, 0.00314376/step Wall: 5289.89, 0.00314376/step, 2.88772 hours remaining, 235.484375 MB of memory in use. ENERGY: 1693200 3961.0555 20664.4566 14396.1837 222.6764 -203193.3807 2793.8483 0.0000 0.0000 51866.9653 -109288.1951 298.0802 -161155.1603 -108935.9959 298.6770 -75.3784 -43.0472 765617.2456 13.8037 13.8371 PRESSURE: 1693400 52.1114 27.2537 -20.8425 27.2538 71.9552 95.7623 -20.8423 95.7626 -168.267 GPRESSURE: 1693400 96.9661 20.039 -130.485 38.8601 108.458 125.288 15.7299 44.8862 -144.207 PRESSAVG: 1693400 -72.1407 41.5083 -22.6783 41.5082 65.7633 50.1532 -22.6783 50.1533 16.8625 GPRESSAVG: 1693400 -71.5549 40.5912 -23.25 42.6931 65.2271 51.3625 -24.3774 52.0867 16.4869 TIMING: 1693400 CPU: 5290.52, 0.00315873/step Wall: 5290.52, 0.00315873/step, 2.90129 hours remaining, 235.484375 MB of memory in use. ENERGY: 1693400 3998.2690 20424.9534 14436.4959 234.4942 -202694.0304 2424.6893 0.0000 0.0000 51869.5772 -109305.5514 298.0952 -161175.1285 -108941.2270 298.9480 -14.7336 20.4058 764422.6573 3.4950 3.3863 PRESSURE: 1693600 116.968 28.1229 -139.538 28.1224 55.4367 -9.65909 -139.539 -9.65953 117.881 GPRESSURE: 1693600 133.94 89.1674 -84.3258 -8.80285 49.4485 -127.089 -46.0314 78.0176 186.716 PRESSAVG: 1693600 -14.6602 -11.2873 -10.9141 -11.2873 23.3764 29.0704 -10.9141 29.0704 8.12779 GPRESSAVG: 1693600 -14.3357 -10.0758 -10.7925 -13.5595 23.2383 29.3088 -7.56566 27.2811 8.37717 TIMING: 1693600 CPU: 5291.15, 0.00314424/step Wall: 5291.15, 0.00314424/step, 2.88781 hours remaining, 235.484375 MB of memory in use. ENERGY: 1693600 4025.9377 20551.9939 14430.3750 244.8210 -203452.5583 2954.2447 0.0000 0.0000 52104.1310 -109141.0550 299.4432 -161245.1860 -108789.7468 299.7082 96.7619 123.3680 762055.4738 5.6147 5.7599 PRESSURE: 1693800 286.394 139.905 -25.963 139.906 88.4506 70.5278 -25.9632 70.5281 -262.601 GPRESSURE: 1693800 303.651 141.813 -45.6371 211.182 100.733 12.2222 19.8897 91.1022 -197.843 PRESSAVG: 1693800 -12.2856 20.7785 -34.5665 20.7784 -6.62086 -2.46156 -34.5664 -2.46165 6.07981 GPRESSAVG: 1693800 -11.3955 21.4432 -35.4294 22.8496 -6.44292 -3.59251 -35.8934 -0.554401 4.82501 TIMING: 1693800 CPU: 5291.78, 0.00315639/step Wall: 5291.78, 0.00315639/step, 2.8988 hours remaining, 235.484375 MB of memory in use. ENERGY: 1693800 4046.2539 20412.3961 14369.3800 256.0116 -203096.0567 2681.4320 0.0000 0.0000 52096.3159 -109234.2672 299.3982 -161330.5831 -108877.5118 299.4388 37.4143 68.8468 761809.1693 -4.2755 -4.3378 PRESSURE: 1694000 -205.193 92.1699 159.813 92.1694 -222.057 79.6406 159.814 79.641 -245.778 GPRESSURE: 1694000 -181.073 71.973 160.058 201.741 -279.943 43.9173 98.1419 125.685 -135.858 PRESSAVG: 1694000 107.886 21.3793 36.4041 21.3793 -60.0381 -15.5192 36.4041 -15.5192 15.4249 GPRESSAVG: 1694000 106.995 18.6421 36.4295 20.7662 -59.9615 -13.7879 34.1144 -18.0512 15.6811 TIMING: 1694000 CPU: 5292.41, 0.00315236/step Wall: 5292.41, 0.00315236/step, 2.89492 hours remaining, 235.484375 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: 1694000 4050.0557 20494.2463 14438.7789 206.3191 -203053.4449 2535.5579 0.0000 0.0000 52148.9779 -109179.5091 299.7009 -161328.4871 -108820.2385 299.3375 -224.3427 -198.9581 764321.8278 21.0910 20.9048 PRESSURE: 1694200 -319.645 48.7332 -62.5231 48.7331 -165.06 95.307 -62.5224 95.305 -271.271 GPRESSURE: 1694200 -291.205 1.21824 -132.152 -90.7737 -127.995 52.165 -66.4121 20.7507 -254.808 PRESSAVG: 1694200 19.0072 27.2881 0.208394 27.2882 6.95325 -46.7134 0.208437 -46.7134 0.508648 GPRESSAVG: 1694200 17.8849 29.8096 1.34857 25.912 5.77289 -47.3646 2.08024 -45.7173 2.57134 TIMING: 1694200 CPU: 5293.05, 0.00315596/step Wall: 5293.05, 0.00315596/step, 2.89805 hours remaining, 235.484375 MB of memory in use. ENERGY: 1694200 3972.8243 20663.1234 14413.4171 256.8524 -202888.6953 2400.1668 0.0000 0.0000 51978.0056 -109204.3056 298.7183 -161182.3112 -108853.7458 299.5054 -251.9919 -224.6694 762894.3814 8.8230 8.7431 PRESSURE: 1694400 -82.3694 76.531 -254.702 76.5318 -276.76 -10.808 -254.701 -10.8067 -124.532 GPRESSURE: 1694400 47.1088 99.8751 -311.746 162.229 -346.101 -27.6709 -203.385 2.56509 -96.852 PRESSAVG: 1694400 -2.66429 36.4176 -42.9533 36.4177 -15.7664 -48.8798 -42.9533 -48.8798 4.84295 GPRESSAVG: 1694400 -2.03516 35.7145 -42.7033 38.082 -16.0638 -49.3055 -43.5721 -47.9818 3.97322 TIMING: 1694400 CPU: 5293.68, 0.00316492/step Wall: 5293.68, 0.00316493/step, 2.9061 hours remaining, 235.675781 MB of memory in use. ENERGY: 1694400 3981.9307 20537.9166 14422.9946 245.0443 -202650.8812 2326.8829 0.0000 0.0000 52250.6271 -108885.4850 300.2851 -161136.1121 -108516.8570 299.8998 -161.2204 -131.9480 762940.9987 -4.5292 -4.7086 PRESSURE: 1694600 75.4089 -180.87 5.65612 -180.871 -79.0794 -78.8823 5.65511 -78.8818 83.1878 GPRESSURE: 1694600 119.136 0.815246 -29.0592 -71.2274 -91.0554 44.019 0.156722 -122.665 131.055 PRESSAVG: 1694600 -32.8129 -28.6054 -21.185 -28.6053 -43.7022 -7.8419 -21.185 -7.8419 -0.053137 GPRESSAVG: 1694600 -34.0711 -29.5754 -23.1047 -27.9896 -42.4985 -5.35315 -18.8031 -10.8997 -0.219678 TIMING: 1694600 CPU: 5294.31, 0.00315032/step Wall: 5294.31, 0.00315032/step, 2.89251 hours remaining, 235.675781 MB of memory in use. ENERGY: 1694600 3996.4683 20645.1929 14423.7855 234.2136 -203035.5986 2677.2491 0.0000 0.0000 52163.7456 -108894.9436 299.7858 -161058.6892 -108541.5175 299.5430 26.5058 53.0454 763382.8548 -25.5227 -25.5964 PRESSURE: 1694800 -23.702 -4.33817 163.95 -4.33873 -116.811 81.5789 163.951 81.5786 -190.464 GPRESSURE: 1694800 -44.6027 -44.5133 134.603 -53.5291 -12.8254 43.9277 123.459 51.3957 -176.984 PRESSAVG: 1694800 -29.9649 -17.763 -15.0202 -17.763 7.12373 -16.5226 -15.0202 -16.5226 -3.53557 GPRESSAVG: 1694800 -28.2007 -15.3851 -14.8265 -20.5568 6.53994 -18.7074 -15.286 -15.7357 -4.97979 TIMING: 1694800 CPU: 5294.94, 0.00314327/step Wall: 5294.94, 0.00314327/step, 2.88587 hours remaining, 235.675781 MB of memory in use. ENERGY: 1694800 4021.7240 20394.2904 14361.6055 249.6943 -203019.4318 2652.7745 0.0000 0.0000 52292.7519 -109046.5911 300.5272 -161339.3430 -108683.3474 300.1868 -110.3254 -78.1373 763342.4109 -8.7922 -8.8802 PRESSURE: 1695000 -322.909 109.462 204.11 109.463 -107.461 -191.803 204.11 -191.804 -451.643 GPRESSURE: 1695000 -280.968 132.999 116.979 64.727 -8.81626 -184.798 276.348 -130.654 -501.199 PRESSAVG: 1695000 -36.3016 31.8751 2.23853 31.8751 22.9548 -37.2965 2.23857 -37.2964 4.9911 GPRESSAVG: 1695000 -36.6994 31.2769 3.01006 33.0085 23.4833 -37.4317 1.76783 -37.4792 4.56363 TIMING: 1695000 CPU: 5295.57, 0.00317352/step Wall: 5295.57, 0.00317352/step, 2.91347 hours remaining, 235.675781 MB of memory in use. ENERGY: 1695000 4017.8887 20399.4596 14408.7886 254.5569 -203026.4060 2645.4411 0.0000 0.0000 52131.0069 -109169.2641 299.5976 -161300.2710 -108813.7084 300.0036 -294.0048 -263.6608 764271.3630 -2.7852 -2.8842 PRESSURE: 1695200 28.9682 120.833 -266.065 120.833 -158.677 242.178 -266.065 242.178 118.777 GPRESSURE: 1695200 184.899 53.8839 -292.447 156.963 -247.071 301.587 -335.794 279.215 117.94 PRESSAVG: 1695200 30.6565 59.8882 -21.7152 59.8882 -11.9623 -31.3754 -21.7152 -31.3753 26.5872 GPRESSAVG: 1695200 30.5031 59.0093 -20.948 58.012 -12.7594 -30.8661 -22.2844 -28.9236 27.0397 TIMING: 1695200 CPU: 5296.2, 0.0031534/step Wall: 5296.2, 0.0031534/step, 2.89482 hours remaining, 235.675781 MB of memory in use. ENERGY: 1695200 4008.2270 20467.8183 14497.6007 271.6351 -203581.2998 2735.9038 0.0000 0.0000 52466.4719 -109133.6430 301.5255 -161600.1149 -108763.2779 299.4822 -3.6439 18.5892 761042.1315 15.0938 14.9278 PRESSURE: 1695400 88.6862 -169.656 176.702 -169.656 158.009 -50.1087 176.702 -50.109 38.1626 GPRESSURE: 1695400 110.062 -233.448 151.553 -97.9181 173.372 -99.8185 160.892 -116.222 70.3224 PRESSAVG: 1695400 -6.79041 -34.5983 -22.8673 -34.5982 7.93772 -7.83395 -22.8674 -7.83401 -8.57898 GPRESSAVG: 1695400 -6.67631 -35.0021 -21.3665 -31.3001 7.72721 -8.65201 -22.3814 -9.45342 -8.66136 TIMING: 1695400 CPU: 5296.84, 0.00316339/step Wall: 5296.84, 0.00316339/step, 2.90381 hours remaining, 235.675781 MB of memory in use. ENERGY: 1695400 4003.1269 20627.9562 14423.0989 256.7344 -203210.6388 2678.8651 0.0000 0.0000 52220.5364 -109000.3209 300.1121 -161220.8574 -108635.4710 299.4734 94.9525 117.9187 763340.3582 -2.4772 -2.5368 PRESSURE: 1695600 465.566 -184.664 -23.7787 -184.664 -45.3567 -107.329 -23.7799 -107.329 -462.535 GPRESSURE: 1695600 461.343 -226.113 -53.8813 -225.765 -10.6766 -82.4677 -8.37063 -167.847 -423.886 PRESSAVG: 1695600 -8.62945 -64.2302 -60.7837 -64.2301 7.82849 -41.3689 -60.7837 -41.3689 -17.1276 GPRESSAVG: 1695600 -8.33219 -63.6044 -63.2772 -65.3473 7.97831 -41.5155 -61.2501 -40.9952 -16.9134 TIMING: 1695600 CPU: 5297.46, 0.00314578/step Wall: 5297.46, 0.00314578/step, 2.88748 hours remaining, 235.675781 MB of memory in use. ENERGY: 1695600 4107.8875 20463.1339 14494.0577 223.2803 -203321.1401 2967.0179 0.0000 0.0000 52047.4530 -109018.3098 299.1174 -161065.7628 -108653.2194 299.6353 -14.1084 8.9267 763346.5436 -5.9762 -5.7557 PRESSURE: 1695800 -305.718 160.761 -116.919 160.762 -482.416 -41.3761 -116.92 -41.3782 -55.5889 GPRESSURE: 1695800 -305.148 90.3973 -11.324 177.693 -448.859 -64.5244 17.6692 -138.609 -15.9043 PRESSAVG: 1695800 -12.122 6.76769 -15.7167 6.76773 52.5932 -61.6805 -15.7167 -61.6805 -2.84872 GPRESSAVG: 1695800 -13.383 7.10893 -13.1903 5.24109 52.4422 -61.9506 -14.928 -59.8619 -2.2346 TIMING: 1695800 CPU: 5298.1, 0.00315401/step Wall: 5298.1, 0.00315401/step, 2.89485 hours remaining, 235.675781 MB of memory in use. ENERGY: 1695800 4039.0443 20634.2308 14440.7313 253.7016 -203076.3762 2687.3776 0.0000 0.0000 52098.4271 -108922.8636 299.4104 -161021.2907 -108569.3627 299.9301 -281.2411 -256.6372 764724.9364 12.5408 12.2749 PRESSURE: 1696000 -2.55475 -87.7389 155.015 -87.7389 -232.455 32.2062 155.015 32.2059 232.573 GPRESSURE: 1696000 -6.05719 -24.4774 22.5213 -82.6507 -78.0175 48.0868 75.4627 40.5952 173.528 PRESSAVG: 1696000 -24.1204 -16.2865 45.8708 -16.2864 31.9964 15.0459 45.8709 15.0458 -11.5134 GPRESSAVG: 1696000 -23.5294 -13.835 44.2663 -16.7648 31.9108 16.2058 44.1151 12.5282 -12.03 TIMING: 1696000 CPU: 5298.73, 0.00315179/step Wall: 5298.73, 0.00315179/step, 2.89264 hours remaining, 235.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1696000 4045.2619 20618.0947 14471.4503 242.8936 -202985.5189 2747.6733 0.0000 0.0000 51925.0787 -108935.0663 298.4141 -160860.1451 -108571.4040 299.5602 -0.8124 29.8177 763424.8900 -1.2124 -1.2162 PRESSURE: 1696200 25.7599 -144.757 150.29 -144.756 322.757 -14.1997 150.29 -14.1991 237.038 GPRESSURE: 1696200 74.039 -98.3366 149.043 -109.139 403.363 -26.3214 161.953 -19.4776 207.91 PRESSAVG: 1696200 42.6954 -0.93561 24.677 -0.935546 -52.7243 -37.0097 24.6769 -37.0097 18.3861 GPRESSAVG: 1696200 43.04 -3.92689 26.626 1.73243 -52.7342 -37.5447 25.5211 -37.7879 18.396 TIMING: 1696200 CPU: 5299.35, 0.00313852/step Wall: 5299.35, 0.00313852/step, 2.88029 hours remaining, 235.675781 MB of memory in use. ENERGY: 1696200 3993.2470 20618.0249 14444.8667 246.3003 -203628.0730 2953.2023 0.0000 0.0000 52498.6787 -108873.7531 301.7106 -161372.4318 -108520.6399 299.9597 195.1852 228.4371 762481.1083 2.7858 2.9006 LDB: ============= START OF LOAD BALANCING ============== 5311.83 LDB: ============== END OF LOAD BALANCING =============== 5311.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5311.83 LDB: ============= START OF LOAD BALANCING ============== 5312.15 LDB: Largest compute 7021 load 0.030997 is 15.9% of average load 0.195062 LDB: Average compute 0.004408 is 2.3% of average load 0.195062 LDB: TIME 5312.15 LOAD: AVG 0.195062 MAX 0.215565 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.906 MB LDB: TIME 5312.15 LOAD: AVG 0.195062 MAX 0.215565 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.91 MB LDB: TIME 5312.15 LOAD: AVG 0.195062 MAX 0.215565 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.91 MB LDB: ============== END OF LOAD BALANCING =============== 5312.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5312.16 PRESSURE: 1696400 -337.347 1.10987 12.5614 1.10885 84.6038 -176.615 12.5599 -176.615 -374.568 GPRESSURE: 1696400 -368.863 53.5709 3.78393 88.8917 117.752 -117.685 40.1831 -197.436 -297.768 PRESSAVG: 1696400 2.96433 18.705 47.6442 18.705 -21.3213 -3.85673 47.6442 -3.85674 -8.14291 GPRESSAVG: 1696400 3.57333 19.8242 45.7831 18.9442 -21.6486 -2.76067 47.1363 -3.98406 -8.67769 TIMING: 1696400 CPU: 5299.99, 0.00319287/step Wall: 5299.99, 0.00319287/step, 2.92999 hours remaining, 235.593750 MB of memory in use. ENERGY: 1696400 4025.6899 20372.4966 14463.8153 259.3705 -203364.2402 2917.6941 0.0000 0.0000 52411.9011 -108913.2727 301.2119 -161325.1738 -108546.9414 300.5701 -209.1037 -182.9596 764726.4385 -8.8333 -8.9176 PRESSURE: 1696600 -56.6073 16.551 232.107 16.5511 28.3849 59.198 232.107 59.1972 -338.252 GPRESSURE: 1696600 -26.223 49.233 285.595 -20.4595 97.2832 163.652 81.119 70.6207 -348.948 PRESSAVG: 1696600 20.0345 25.4285 0.416862 25.4285 -10.9759 -13.3203 0.416878 -13.3203 -37.5465 GPRESSAVG: 1696600 18.2331 27.6443 0.101517 23.3529 -10.9314 -11.7225 0.793203 -11.5554 -36.0607 TIMING: 1696600 CPU: 5300.61, 0.00311258/step Wall: 5300.61, 0.00311258/step, 2.85613 hours remaining, 235.738281 MB of memory in use. ENERGY: 1696600 4023.9056 20598.4533 14444.0194 246.0724 -203524.4790 3091.7439 0.0000 0.0000 52045.0653 -109075.2192 299.1037 -161120.2844 -108717.1269 300.0363 -122.1580 -92.6292 764140.1608 -9.4960 -9.5863 PRESSURE: 1696800 246.046 117.451 -12.2313 117.452 -42.6342 60.3383 -12.231 60.3379 226.538 GPRESSURE: 1696800 273.764 31.8618 1.60611 100.303 -25.2577 48.1884 -72.9249 -7.55963 252.298 PRESSAVG: 1696800 18.331 28.105 -18.1195 28.105 -22.7165 19.4418 -18.1194 19.4417 18.7521 GPRESSAVG: 1696800 18.9674 26.6505 -16.1594 27.9641 -22.8599 19.4191 -19.1888 19.3648 18.3553 TIMING: 1696800 CPU: 5301.24, 0.00311386/step Wall: 5301.24, 0.00311386/step, 2.85714 hours remaining, 235.738281 MB of memory in use. ENERGY: 1696800 3931.7819 20644.9469 14451.7052 241.3050 -203333.7577 2854.0769 0.0000 0.0000 52139.7504 -109070.1914 299.6479 -161209.9417 -108699.1335 299.7384 143.3167 166.9349 763049.6726 4.7888 4.8209 PRESSURE: 1697000 175.493 13.2809 -115.129 13.281 -104.71 -287.902 -115.129 -287.902 -63.1498 GPRESSURE: 1697000 125.051 -1.19058 -109.349 105.37 -12.8761 -259.674 -42.1037 -216.383 -21.3547 PRESSAVG: 1697000 -7.6568 56.2412 -65.0598 56.2411 -17.2217 -12.9399 -65.0598 -12.9399 -7.95708 GPRESSAVG: 1697000 -7.153 55.8819 -65.8363 57.3002 -17.703 -15.8096 -64.8365 -12.8922 -8.27556 TIMING: 1697000 CPU: 5301.86, 0.00313478/step Wall: 5301.86, 0.00313478/step, 2.87616 hours remaining, 235.738281 MB of memory in use. ENERGY: 1697000 4014.4168 20600.0912 14430.8234 244.7671 -203226.7062 2782.2281 0.0000 0.0000 52078.5176 -109075.8620 299.2960 -161154.3796 -108712.5133 299.5785 2.5444 30.2735 762375.8616 -10.9452 -11.0438 PRESSURE: 1697200 -239.385 -61.7755 -27.3743 -61.7761 -86.3628 101.076 -27.375 101.077 200.727 GPRESSURE: 1697200 -178.973 -83.9079 80.739 -10.4881 -65.9115 -11.779 -116.178 -44.0084 203.113 PRESSAVG: 1697200 -40.2039 3.04045 -36.198 3.04041 76.9477 -43.5168 -36.1979 -43.5167 -1.12504 GPRESSAVG: 1697200 -41.1162 2.80141 -37.5525 2.6515 77.8855 -43.431 -33.3831 -41.831 -1.45018 TIMING: 1697200 CPU: 5302.49, 0.00314457/step Wall: 5302.49, 0.00314457/step, 2.88497 hours remaining, 235.738281 MB of memory in use. ENERGY: 1697200 3983.9552 20510.4368 14455.2398 242.6361 -202927.6462 2459.3088 0.0000 0.0000 52475.9397 -108800.1298 301.5799 -161276.0695 -108438.5157 299.8673 -41.6734 -13.9236 762245.0080 11.8729 11.7730 PRESSURE: 1697400 -105.781 -264.926 18.6463 -264.926 195.41 -130.127 18.6467 -130.127 -101.743 GPRESSURE: 1697400 -72.5383 -47.8957 75.8978 -263.219 175.883 -275.005 -121.055 -1.96243 -34.5762 PRESSAVG: 1697400 -2.28201 -23.055 -29.7021 -23.055 2.32909 36.9007 -29.7021 36.9007 5.64577 GPRESSAVG: 1697400 -2.14624 -20.4002 -27.4472 -25.0427 2.23704 37.5129 -31.685 37.0315 5.92484 TIMING: 1697400 CPU: 5303.12, 0.00313565/step Wall: 5303.12, 0.00313565/step, 2.87661 hours remaining, 235.738281 MB of memory in use. ENERGY: 1697400 4037.4343 20522.3380 14479.9756 245.6933 -202905.3149 2649.8287 0.0000 0.0000 52373.6861 -108596.3589 300.9923 -160970.0450 -108230.5411 300.3235 -4.0379 22.9228 763564.1663 1.8976 2.0052 PRESSURE: 1697600 14.3589 -125.762 -135.828 -125.762 -448.794 46.3645 -135.828 46.3637 -466.044 GPRESSURE: 1697600 109.619 -212.667 17.9968 -158.887 -501.287 23.368 -250.2 68.5597 -419.678 PRESSAVG: 1697600 18.432 -38.2025 11.5995 -38.2025 50.7701 -13.589 11.5994 -13.589 14.9452 GPRESSAVG: 1697600 19.2854 -41.5869 11.4813 -37.1173 49.6205 -12.9699 11.4406 -15.5526 15.2979 TIMING: 1697600 CPU: 5303.75, 0.00316855/step Wall: 5303.75, 0.00316856/step, 2.90662 hours remaining, 235.738281 MB of memory in use. ENERGY: 1697600 4109.6073 20654.5995 14468.5746 243.3755 -203006.1573 2575.5958 0.0000 0.0000 52285.7890 -108668.6155 300.4871 -160954.4046 -108307.9611 300.7550 -300.1596 -270.4488 762392.0507 28.0491 28.0679 PRESSURE: 1697800 -161.875 -143.608 89.953 -143.607 -288.331 -213.29 89.9528 -213.29 -319.551 GPRESSURE: 1697800 -84.4542 -201.022 102.335 -162.732 -290.636 -158.225 -1.94839 -173.051 -322.302 PRESSAVG: 1697800 -14.9011 -45.3828 4.03242 -45.3829 -35.4908 -9.9728 4.0324 -9.97288 2.44157 GPRESSAVG: 1697800 -16.4543 -43.8398 2.16347 -44.3302 -34.8349 -11.3776 4.38971 -8.56749 3.04023 TIMING: 1697800 CPU: 5304.38, 0.00312904/step Wall: 5304.38, 0.00312904/step, 2.8702 hours remaining, 235.738281 MB of memory in use. ENERGY: 1697800 4108.6043 20727.0209 14394.8954 252.2465 -203233.7198 2668.6730 0.0000 0.0000 52164.1085 -108918.1712 299.7878 -161082.2796 -108545.6952 300.3584 -256.5856 -232.4642 763408.2669 -15.9834 -16.0830 PRESSURE: 1698000 -234.028 -58.2525 -112.977 -58.2532 -35.2851 146.152 -112.977 146.152 -27.0867 GPRESSURE: 1698000 -212.789 -93.4476 -107.031 -122.98 -7.71364 145.449 -47.3128 109.227 25.7442 PRESSAVG: 1698000 -3.90163 -28.2273 -12.0378 -28.2274 13.3507 -0.220925 -12.0378 -0.220904 20.3756 GPRESSAVG: 1698000 -2.49576 -27.6229 -8.98397 -28.4414 14.4945 0.666981 -13.9003 -0.559285 18.1556 TIMING: 1698000 CPU: 5305.01, 0.0031315/step Wall: 5305.01, 0.0031315/step, 2.87228 hours remaining, 235.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1698000 4118.6935 20739.1323 14378.0809 233.1317 -202947.7474 2362.3092 0.0000 0.0000 52147.7866 -108968.6132 299.6940 -161116.3998 -108621.5017 300.0037 -98.8000 -64.9194 761614.7510 9.9416 10.0515 PRESSURE: 1698200 -220.718 24.3936 -144.208 24.3937 -116.871 64.0321 -144.208 64.033 119.819 GPRESSURE: 1698200 -138.065 71.5289 -121.917 25.4163 -123.786 60.9567 -135.41 183.658 123.453 PRESSAVG: 1698200 5.92372 31.271 2.46401 31.271 -24.1517 16.7073 2.464 16.7074 1.99336 GPRESSAVG: 1698200 3.68037 30.3091 0.914305 30.7067 -24.7472 17.4133 4.53847 15.3655 4.38793 TIMING: 1698200 CPU: 5305.63, 0.00311168/step Wall: 5305.63, 0.00311168/step, 2.85393 hours remaining, 235.738281 MB of memory in use. ENERGY: 1698200 3977.8128 20714.1707 14507.9777 253.6739 -203059.5377 2511.1029 0.0000 0.0000 52159.5290 -108935.2706 299.7615 -161094.7996 -108565.4704 300.4211 -72.5900 -46.1327 762094.9718 -5.4115 -5.5596 PRESSURE: 1698400 -305.65 -35.0907 24.179 -35.0909 -220.947 40.5173 24.1796 40.5178 -104.943 GPRESSURE: 1698400 -188.564 77.8854 17.6036 -14.7719 -204.388 77.5966 41.1146 86.3111 -131.554 PRESSAVG: 1698400 12.6254 -4.20259 -40.1492 -4.20254 -55.0287 -53.9196 -40.1492 -53.9196 20.7877 GPRESSAVG: 1698400 14.2567 -3.99779 -40.4775 -3.07137 -56.126 -53.732 -39.8948 -52.7555 21.0665 TIMING: 1698400 CPU: 5306.26, 0.00314855/step Wall: 5306.26, 0.00314855/step, 2.88757 hours remaining, 235.738281 MB of memory in use. ENERGY: 1698400 3965.5627 20591.4953 14433.7419 277.1871 -203247.0608 2727.5707 0.0000 0.0000 52298.8353 -108952.6677 300.5621 -161251.5030 -108593.4593 300.4192 -210.5133 -174.8353 763822.7073 -7.2052 -6.9343 PRESSURE: 1698600 -53.6676 -92.9039 15.4472 -92.9039 174.744 -148.437 15.4474 -148.437 201.412 GPRESSURE: 1698600 -85.3481 -75.0265 28.0971 -128.516 206.013 -149.772 -0.5484 -171.558 297.048 PRESSAVG: 1698600 1.34891 12.6977 -8.1385 12.6977 -0.190556 42.4543 -8.13851 42.4544 -1.18205 GPRESSAVG: 1698600 0.425339 14.539 -8.35091 11.4728 0.741336 42.0638 -9.93457 41.9557 -1.24953 TIMING: 1698600 CPU: 5306.89, 0.00314158/step Wall: 5306.89, 0.00314158/step, 2.88101 hours remaining, 235.738281 MB of memory in use. ENERGY: 1698600 3967.7178 20552.1759 14524.4611 264.5195 -203109.9188 2675.4570 0.0000 0.0000 52208.1266 -108917.4609 300.0408 -161125.5875 -108559.7008 299.7765 107.4960 139.2376 762958.4587 -0.0079 -0.0276 PRESSURE: 1698800 147.473 20.3908 -27.4386 20.39 223.878 77.2451 -27.4383 77.2457 -281.134 GPRESSURE: 1698800 168.259 -17.5795 -45.1582 -59.2178 208.484 70.4243 55.2182 119.29 -217.599 PRESSAVG: 1698800 0.511491 -6.05805 0.836607 -6.05805 -11.45 10.147 0.836663 10.147 4.08503 GPRESSAVG: 1698800 2.05388 -8.21587 -0.423138 -5.72961 -12.7426 9.07848 2.49551 8.7545 3.82769 TIMING: 1698800 CPU: 5307.52, 0.00314214/step Wall: 5307.52, 0.00314214/step, 2.88134 hours remaining, 235.738281 MB of memory in use. ENERGY: 1698800 3954.9992 20663.0539 14512.1526 255.3807 -203137.9352 2723.0104 0.0000 0.0000 52217.5247 -108811.8137 300.0948 -161029.3384 -108443.7255 300.2846 30.0722 53.0481 762067.9627 -2.2845 -2.2870 PRESSURE: 1699000 -123.296 -131.053 121.22 -131.054 -192.464 37.1244 121.22 37.1248 69.166 GPRESSURE: 1699000 -184.155 -66.6759 128.68 -144.987 -97.8292 -61.6322 56.4609 82.7587 104.081 PRESSAVG: 1699000 12.9688 -6.68719 -52.4145 -6.68718 -7.71305 57.6764 -52.4145 57.6764 4.34932 GPRESSAVG: 1699000 11.7124 -6.18321 -52.1276 -5.14445 -7.07769 57.7796 -53.1773 60.6806 5.3419 TIMING: 1699000 CPU: 5308.14, 0.00314399/step Wall: 5308.14, 0.00314399/step, 2.88287 hours remaining, 235.738281 MB of memory in use. ENERGY: 1699000 3999.3744 20594.0665 14410.1957 231.8288 -203081.2429 2517.6438 0.0000 0.0000 52453.8979 -108874.2358 301.4533 -161328.1337 -108519.0990 299.8645 -82.1980 -59.3012 764788.2695 3.2017 3.3255 PRESSURE: 1699200 -370.585 30.0747 -88.2787 30.0739 -235.542 -85.1391 -88.2789 -85.1374 234.28 GPRESSURE: 1699200 -303.905 60.9247 -76.198 7.82763 -208.239 -93.0761 -148.026 -191.64 191.296 PRESSAVG: 1699200 -8.14638 -23.4092 -43.2952 -23.4092 5.93081 7.51896 -43.2952 7.51902 -7.13695 GPRESSAVG: 1699200 -7.78302 -24.8488 -40.7649 -24.8164 4.97221 9.20629 -44.2049 4.73763 -6.84849 TIMING: 1699200 CPU: 5308.78, 0.00316195/step Wall: 5308.78, 0.00316195/step, 2.89915 hours remaining, 235.738281 MB of memory in use. ENERGY: 1699200 4014.6745 20515.0747 14532.0668 255.3358 -203094.1072 2781.8346 0.0000 0.0000 52058.4640 -108936.6569 299.1807 -160995.1208 -108574.2771 300.0499 -123.9488 -106.9495 764733.3695 -3.1175 -3.2198 PRESSURE: 1699400 408.203 179.93 -82.1569 179.93 48.7275 -47.9812 -82.1566 -47.9808 399.254 GPRESSURE: 1699400 476.85 105.898 -35.3305 133.483 79.2992 3.22827 -41.9772 -26.5708 395.967 PRESSAVG: 1699400 46.9677 14.6633 -11.3859 14.6634 -25.0187 -26.1069 -11.386 -26.1068 2.4965 GPRESSAVG: 1699400 47.2061 19.4993 -12.3915 14.4202 -24.5813 -27.6287 -10.5231 -24.3247 1.54846 TIMING: 1699400 CPU: 5309.4, 0.00312339/step Wall: 5309.4, 0.00312339/step, 2.86362 hours remaining, 235.738281 MB of memory in use. ENERGY: 1699400 3996.6672 20507.1442 14392.8567 245.5906 -202978.5500 2919.9464 0.0000 0.0000 52206.6370 -108709.7079 300.0323 -160916.3449 -108341.3006 299.6112 285.3948 317.3721 764325.4844 8.1485 8.0577 PRESSURE: 1699600 32.8604 109.943 4.97464 109.944 115.644 -163.66 4.97437 -163.661 253.438 GPRESSURE: 1699600 23.1335 174.26 59.9796 -49.538 157.275 -181.623 -76.8344 -97.4799 310.913 PRESSAVG: 1699600 -14.5809 22.6468 -18.0815 22.6469 19.4298 -28.7976 -18.0815 -28.7976 -12.3031 GPRESSAVG: 1699600 -16.3355 20.122 -16.5037 21.6785 21.2112 -29.1529 -18.6777 -30.1046 -11.5284 TIMING: 1699600 CPU: 5310.03, 0.00312858/step Wall: 5310.03, 0.00312858/step, 2.86821 hours remaining, 235.738281 MB of memory in use. ENERGY: 1699600 3932.3524 20609.9139 14455.2882 248.0791 -202897.3236 2730.8049 0.0000 0.0000 52263.8022 -108657.0828 300.3608 -160920.8850 -108292.3711 300.0748 133.9808 163.7739 762551.1487 -2.4848 -2.2176 PRESSURE: 1699800 -142.703 162.503 162.505 162.504 370.235 -53.9948 162.505 -53.9947 28.045 GPRESSURE: 1699800 -50.7049 234.397 139.24 243.46 285.516 -75.2057 124.412 -1.20963 97.0971 PRESSAVG: 1699800 -2.78915 10.7781 5.64796 10.7781 14.369 -11.9491 5.64797 -11.949 -6.68134 GPRESSAVG: 1699800 -1.46687 11.1068 4.07994 9.98955 12.8441 -10.9716 6.42907 -10.6418 -6.7218 TIMING: 1699800 CPU: 5310.65, 0.0031342/step Wall: 5310.65, 0.0031342/step, 2.87319 hours remaining, 235.738281 MB of memory in use. ENERGY: 1699800 4057.7726 20599.7921 14371.0190 245.0692 -202738.1251 2514.6839 0.0000 0.0000 52340.2949 -108609.4934 300.8004 -160949.7883 -108261.1811 300.3881 85.1924 110.6361 764434.2351 1.6328 1.5518 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1700000 WRITING COORDINATES TO RESTART FILE AT STEP 1700000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1700000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1700000 -139.714 -62.4996 -23.7008 -62.5003 -58.934 -194.471 -23.7012 -194.471 -31.5481 GPRESSURE: 1700000 -120.081 -65.0811 -75.4991 -1.22907 -25.01 -186.271 20.1293 -129.346 -4.06353 PRESSAVG: 1700000 8.44851 38.1639 11.4286 38.1638 -8.5781 -34.8248 11.4286 -34.8247 5.95041 GPRESSAVG: 1700000 7.15789 37.82 10.9744 39.797 -7.42392 -35.1508 11.107 -34.4951 5.61035 TIMING: 1700000 CPU: 5311.35, 0.00346941/step Wall: 5311.35, 0.00346941/step, 3.1803 hours remaining, 235.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1700000 4013.9484 20571.2341 14419.6402 262.3473 -203050.0757 2477.4797 0.0000 0.0000 52468.6699 -108836.7561 301.5382 -161305.4260 -108468.0674 300.0359 -76.7321 -49.7183 762494.8157 1.9403 1.7814 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1700000 PRESSURE: 1700200 -218.872 50.4153 -118.708 50.4145 -319.898 -151.787 -118.709 -151.786 57.7526 GPRESSURE: 1700200 -106.292 55.3144 -170.1 -0.348535 -322.596 -131.885 -11.342 -164.114 43.9606 PRESSAVG: 1700200 45.0136 12.2002 -14.296 12.2001 -16.861 -33.4194 -14.2959 -33.4195 16.7587 GPRESSAVG: 1700200 46.0757 11.834 -14.5223 13.0201 -17.0728 -32.9776 -15.1089 -34.0516 16.5754 TIMING: 1700200 CPU: 5312.01, 0.00329341/step Wall: 5312.01, 0.00329341/step, 3.01878 hours remaining, 235.738281 MB of memory in use. ENERGY: 1700200 3970.8174 20486.8059 14405.5485 241.0042 -202785.6566 2374.5980 0.0000 0.0000 52153.3491 -109153.5335 299.7260 -161306.8826 -108779.2045 299.9954 -160.3391 -128.3092 764227.2620 14.9705 15.1928 LDB: ============= START OF LOAD BALANCING ============== 5324.49 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5324.49 LDB: =============== DONE WITH MIGRATION ================ 5324.49 LDB: ============= START OF LOAD BALANCING ============== 5324.81 LDB: Largest compute 7059 load 0.031892 is 16.4% of average load 0.194989 LDB: Average compute 0.004410 is 2.3% of average load 0.194989 LDB: TIME 5324.81 LOAD: AVG 0.194989 MAX 0.216164 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.379 MB LDB: TIME 5324.81 LOAD: AVG 0.194989 MAX 0.216164 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.379 MB LDB: TIME 5324.81 LOAD: AVG 0.194989 MAX 0.216164 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.379 MB LDB: ============== END OF LOAD BALANCING =============== 5324.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5324.82 PRESSURE: 1700400 -6.12028 181.902 21.6134 181.901 91.2074 -84.9811 21.6129 -84.9812 -29.5432 GPRESSURE: 1700400 -11.9778 173.631 -56.9715 363.394 180.397 -58.7889 -73.4835 -152.988 -6.10098 PRESSAVG: 1700400 -49.9882 46.2485 -2.28892 46.2484 1.8319 14.8716 -2.28894 14.8717 1.98901 GPRESSAVG: 1700400 -49.8613 46.0402 -1.66405 46.0919 1.74501 14.0031 0.0868577 16.2816 2.64903 TIMING: 1700400 CPU: 5312.65, 0.00324069/step Wall: 5312.65, 0.00324069/step, 2.97027 hours remaining, 234.050781 MB of memory in use. ENERGY: 1700400 4005.5490 20513.0856 14383.0768 254.1762 -203167.8873 2720.7027 0.0000 0.0000 52028.9986 -109262.2984 299.0114 -161291.2970 -108898.8803 298.8120 18.5146 54.1061 763591.9127 -15.3891 -15.1557 PRESSURE: 1700600 -102.274 194.355 74.6532 194.355 -89.2342 -47.9071 74.6531 -47.9071 59.448 GPRESSURE: 1700600 -186.689 196.2 79.1007 299.353 101.653 14.1542 155.433 -140.931 59.4919 PRESSAVG: 1700600 38.8397 10.0453 -2.97467 10.0453 -57.5785 -9.3762 -2.97463 -9.37623 1.28214 GPRESSAVG: 1700600 37.661 9.18407 -3.87194 11.2796 -55.868 -9.04285 -4.06214 -10.0984 0.855337 TIMING: 1700600 CPU: 5313.29, 0.00315742/step Wall: 5313.29, 0.00315742/step, 2.89377 hours remaining, 234.253906 MB of memory in use. ENERGY: 1700600 4037.0360 20322.6599 14508.3790 254.3176 -203007.8597 2606.6508 0.0000 0.0000 51869.6013 -109409.2152 298.0953 -161278.8165 -109044.2843 298.6835 -44.0202 -8.5147 763175.0775 -5.8189 -5.7839 PRESSURE: 1700800 -371.829 -30.1606 -198.219 -30.1609 -20.7678 -62.2308 -198.219 -62.2311 -131.717 GPRESSURE: 1700800 -242.53 -157.472 -176.265 32.534 -26.2075 28.5991 -110.017 -47.4958 -160.936 PRESSAVG: 1700800 -77.3262 65.7456 0.0797564 65.7456 56.6724 38.6908 0.0797756 38.6908 -21.3001 GPRESSAVG: 1700800 -77.2835 67.3735 -0.478457 65.2917 55.5986 38.7446 1.18352 38.4826 -20.1311 TIMING: 1700800 CPU: 5313.92, 0.00314892/step Wall: 5313.92, 0.00314892/step, 2.88581 hours remaining, 234.253906 MB of memory in use. ENERGY: 1700800 4036.3427 20524.8239 14437.4517 264.4333 -203239.9893 2731.2799 0.0000 0.0000 52072.6440 -109173.0139 299.2622 -161245.6579 -108815.5152 298.9503 -174.7713 -143.2245 764287.7001 -13.9847 -13.9387 PRESSURE: 1701000 -89.4883 127.954 66.0254 127.954 -32.9465 -215.643 66.027 -215.644 709.301 GPRESSURE: 1701000 -60.6217 167.763 17.3407 119.194 21.6556 -223.081 -87.6185 -208.217 699.215 PRESSAVG: 1701000 13.9551 32.3693 -9.83889 32.3693 -9.81315 17.0208 -9.83895 17.0208 1.41894 GPRESSAVG: 1701000 14.5425 29.151 -10.1215 33.8183 -9.84863 15.2131 -11.14 18.6376 0.725364 TIMING: 1701000 CPU: 5314.54, 0.00314034/step Wall: 5314.54, 0.00314034/step, 2.87777 hours remaining, 234.253906 MB of memory in use. ENERGY: 1701000 3949.4261 20535.3355 14440.4149 247.0044 -203052.7026 2447.1087 0.0000 0.0000 52171.7387 -109261.6744 299.8317 -161433.4130 -108906.7951 299.0803 195.6222 220.0829 761969.3929 1.8536 1.8064 PRESSURE: 1701200 -136.304 24.5657 -81.1725 24.5659 166.821 -183.262 -81.1727 -183.264 48.866 GPRESSURE: 1701200 -106.843 -2.56509 -105.343 42.9615 195.605 -268.117 -43.1067 -286.825 69.7994 PRESSAVG: 1701200 -21.6406 19.6931 -9.1524 19.6931 -0.313397 -19.7564 -9.15241 -19.7564 18.6503 GPRESSAVG: 1701200 -22.0788 22.0552 -9.37697 16.7061 0.234077 -19.812 -6.27181 -20.4122 18.437 TIMING: 1701200 CPU: 5315.17, 0.00314974/step Wall: 5315.17, 0.00314974/step, 2.88621 hours remaining, 234.253906 MB of memory in use. ENERGY: 1701200 3993.0843 20329.5715 14394.0183 243.0532 -203339.6920 2852.3948 0.0000 0.0000 52353.9642 -109173.6057 300.8790 -161527.5699 -108811.6410 299.5170 26.4610 52.8539 762001.8225 -1.1012 -1.1359 PRESSURE: 1701400 -82.034 190.682 -230.068 190.682 79.3718 83.8807 -230.067 83.8802 152.183 GPRESSURE: 1701400 -93.6063 169.882 -236.032 170.776 106.678 11.801 -186.631 84.6106 218.123 PRESSAVG: 1701400 2.62842 21.482 -6.47312 21.482 -9.92652 2.4237 -6.4731 2.42364 -14.3868 GPRESSAVG: 1701400 2.08778 22.7183 -6.95742 22.7753 -10.057 4.12003 -7.62961 0.382628 -13.8305 TIMING: 1701400 CPU: 5315.8, 0.00314481/step Wall: 5315.8, 0.00314481/step, 2.88152 hours remaining, 234.253906 MB of memory in use. ENERGY: 1701400 3941.3254 20428.7105 14424.7774 259.1743 -203056.7851 2719.9945 0.0000 0.0000 52048.4497 -109234.3532 299.1232 -161282.8030 -108871.8942 298.9497 49.8403 77.0651 762934.6691 -7.2283 -7.2666 PRESSURE: 1701600 -335.37 -87.2007 302.874 -87.2011 -187.727 -118.969 302.874 -118.967 87.0594 GPRESSURE: 1701600 -236.404 37.7563 323.242 -43.2507 -225.222 -153.905 193.29 -149.179 122.807 PRESSAVG: 1701600 -78.5102 60.481 1.50892 60.4811 13.0515 50.1869 1.50887 50.1869 -0.256132 GPRESSAVG: 1701600 -78.1675 57.3458 4.27549 60.4168 13.3154 49.1276 -0.729068 49.718 -0.50956 TIMING: 1701600 CPU: 5316.43, 0.00314621/step Wall: 5316.43, 0.00314621/step, 2.88263 hours remaining, 234.253906 MB of memory in use. ENERGY: 1701600 3974.6225 20439.3007 14491.0980 260.5391 -202963.6995 2456.5905 0.0000 0.0000 51984.2699 -109357.2789 298.7543 -161341.5488 -108999.3724 299.1403 -145.3459 -112.9395 762388.5835 -21.9050 -21.7872 PRESSURE: 1701800 18.6715 85.0798 -159.698 85.0803 -208.923 229.004 -159.697 229.004 -289.41 GPRESSURE: 1701800 -5.04882 209.25 -200.669 44.471 -155.586 204.315 -173.636 273.212 -234.917 PRESSAVG: 1701800 21.5651 49.2001 -15.3911 49.2002 -3.11711 -13.4848 -15.3912 -13.4848 1.04759 GPRESSAVG: 1701800 21.5666 50.765 -17.0053 48.0254 -3.46355 -15.464 -16.1805 -13.8499 1.69096 TIMING: 1701800 CPU: 5317.06, 0.00314066/step Wall: 5317.06, 0.00314066/step, 2.87737 hours remaining, 234.253906 MB of memory in use. ENERGY: 1701800 3960.8658 20532.4749 14430.6419 238.2079 -203106.7807 2656.4642 0.0000 0.0000 52138.2869 -109149.8390 299.6395 -161288.1260 -108789.3508 298.8730 -159.8870 -131.8506 763956.7646 6.4985 6.5980 PRESSURE: 1702000 -11.7445 276.46 136.713 276.46 -144.237 -5.50362 136.713 -5.5043 -247.737 GPRESSURE: 1702000 -29.4877 240.501 184.522 198.045 -94.0694 14.7987 164.829 97.605 -207.488 PRESSAVG: 1702000 12.514 55.0512 54.2046 55.0512 8.2927 11.6025 54.2046 11.6026 -2.32366 GPRESSAVG: 1702000 12.6727 55.1406 55.4495 54.606 7.5073 14.8078 54.8424 11.5599 -1.90963 TIMING: 1702000 CPU: 5317.69, 0.00315709/step Wall: 5317.69, 0.00315709/step, 2.89224 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1702000 4053.9766 20436.5945 14467.5318 249.2448 -203246.1573 2562.7838 0.0000 0.0000 52171.8840 -109304.1417 299.8325 -161476.0257 -108941.7506 299.1906 -134.5726 -110.3482 763956.0764 6.1610 6.0901 PRESSURE: 1702200 -61.1649 176.072 211.117 176.072 -36.1589 -21.8357 211.117 -21.8365 -117.699 GPRESSURE: 1702200 -33.0829 197.066 183.25 194.116 -32.5492 103.828 339.098 -116.297 -42.7534 PRESSAVG: 1702200 16.0648 12.0071 9.98572 12.0071 0.795192 -12.8362 9.98574 -12.8362 8.73748 GPRESSAVG: 1702200 16.7535 11.2153 8.02913 12.4473 0.947798 -14.1162 12.2162 -12.237 7.84198 TIMING: 1702200 CPU: 5318.32, 0.00314873/step Wall: 5318.32, 0.00314873/step, 2.88441 hours remaining, 234.253906 MB of memory in use. ENERGY: 1702200 3946.4315 20439.4728 14425.7160 249.2829 -203149.8565 2828.3143 0.0000 0.0000 51826.9146 -109433.7245 297.8500 -161260.6390 -109074.8541 298.7354 -71.6741 -36.1285 764448.8634 8.5325 8.5144 PRESSURE: 1702400 -380.178 188.553 94.7464 188.553 -17.5227 -189.47 94.7462 -189.471 39.2392 GPRESSURE: 1702400 -307.065 232.639 34.1906 196.209 29.4937 -233.25 151.093 -193.842 -0.760236 PRESSAVG: 1702400 -19.5034 37.8112 -9.23661 37.8112 19.3512 -13.5235 -9.23668 -13.5236 -3.04065 GPRESSAVG: 1702400 -18.8217 39.203 -7.68026 38.7038 19.6927 -16.7188 -10.0938 -11.7536 -3.48902 TIMING: 1702400 CPU: 5318.95, 0.00314299/step Wall: 5318.95, 0.00314299/step, 2.87898 hours remaining, 234.253906 MB of memory in use. ENERGY: 1702400 3907.4566 20382.8724 14484.2995 232.3536 -203565.7417 2980.0106 0.0000 0.0000 52074.8719 -109503.8771 299.2750 -161578.7490 -109139.1528 298.1934 -119.4872 -92.7771 764985.9655 -1.0643 -0.8727 PRESSURE: 1702600 -163.205 16.6632 -89.6814 16.6629 110.498 352.656 -89.6816 352.656 -48.4715 GPRESSURE: 1702600 -38.6785 19.5422 -16.2516 127.581 52.0854 400.136 4.24704 317.575 -32.7148 PRESSAVG: 1702600 5.91557 17.8018 11.5773 17.8018 10.1769 13.3777 11.5773 13.3776 -8.97133 GPRESSAVG: 1702600 5.88457 19.0608 11.829 14.7378 10.5852 16.5137 9.50876 12.1334 -9.65787 TIMING: 1702600 CPU: 5319.58, 0.00313057/step Wall: 5319.58, 0.00313057/step, 2.86743 hours remaining, 234.253906 MB of memory in use. ENERGY: 1702600 3998.6007 20460.4897 14417.7527 241.1140 -203058.3165 2757.0732 0.0000 0.0000 51737.1171 -109446.1691 297.3339 -161183.2862 -109089.6062 298.2645 -33.7261 -6.4360 765567.1806 2.3737 2.2706 PRESSURE: 1702800 234.017 87.4681 -78.0177 87.4683 165.985 102.909 -78.0177 102.908 316.847 GPRESSURE: 1702800 199.39 -2.58992 -48.7922 69.4754 253.022 168.941 -60.9932 27.685 337.181 PRESSAVG: 1702800 -45.511 -17.6323 -35.6507 -17.6322 7.38093 29.0522 -35.6508 29.0521 1.27494 GPRESSAVG: 1702800 -46.2911 -19.454 -36.5754 -16.5355 6.72937 29.053 -32.5439 27.3706 2.06492 TIMING: 1702800 CPU: 5320.2, 0.00313907/step Wall: 5320.2, 0.00313907/step, 2.87504 hours remaining, 234.253906 MB of memory in use. ENERGY: 1702800 3949.3306 20333.3639 14455.0903 259.7418 -203888.8116 3148.9104 0.0000 0.0000 52234.1412 -109508.2335 300.1903 -161742.3747 -109140.8778 298.5686 238.9497 263.1975 761841.7062 -12.2851 -12.4989 PRESSURE: 1703000 -82.83 -58.9677 43.58 -58.9675 473.237 -261.806 43.5803 -261.806 284.819 GPRESSURE: 1703000 58.9648 8.20668 -59.3304 -45.9345 382.108 -179.296 14.6138 -181.618 329.306 PRESSAVG: 1703000 20.3512 12.0059 -9.82834 12.0059 -12.273 -7.34152 -9.8284 -7.34153 30.8475 GPRESSAVG: 1703000 19.8946 11.817 -9.53089 12.2439 -11.9009 -8.17215 -12.0512 -5.94892 30.9779 TIMING: 1703000 CPU: 5320.83, 0.00315336/step Wall: 5320.83, 0.00315336/step, 2.88795 hours remaining, 234.253906 MB of memory in use. ENERGY: 1703000 4031.2480 20490.1781 14464.8934 253.7422 -203660.0511 2852.8218 0.0000 0.0000 51847.7630 -109719.4046 297.9698 -161567.1676 -109363.6851 298.4614 225.0755 256.7931 761954.8410 12.9752 12.9905 PRESSURE: 1703200 241.327 93.7613 191.433 93.762 -93.6046 -21.4216 191.433 -21.4217 192.422 GPRESSURE: 1703200 197.895 144.549 239.229 79.3575 27.2046 -54.0329 124.534 -108.683 203.137 PRESSAVG: 1703200 36.8373 49.7521 -24.0147 49.7521 -51.6012 24.4202 -24.0147 24.4201 -4.90906 GPRESSAVG: 1703200 36.9661 47.561 -23.0035 48.36 -52.2137 23.866 -21.8474 23.4167 -5.08589 TIMING: 1703200 CPU: 5321.46, 0.00315027/step Wall: 5321.46, 0.00315027/step, 2.88495 hours remaining, 234.253906 MB of memory in use. ENERGY: 1703200 3959.9253 20460.2527 14439.7382 226.1903 -203378.2470 2730.6074 0.0000 0.0000 51803.2270 -109758.3061 297.7139 -161561.5331 -109391.0944 298.0174 113.3817 142.7456 763358.5037 -6.5576 -6.7778 PRESSURE: 1703400 56.4302 -32.4099 -161.866 -32.4097 185.01 3.89878 -161.866 3.89807 -157.886 GPRESSURE: 1703400 128.369 -37.1356 -155.89 14.4238 128.611 26.3647 -205.593 -27.3923 -96.8946 PRESSAVG: 1703400 73.2349 31.5735 20.2406 31.5735 -80.9144 -6.00543 20.2405 -6.00545 7.71006 GPRESSAVG: 1703400 72.8137 34.2125 19.1686 30.4926 -81.3573 -4.91523 19.4813 -5.99281 8.28612 TIMING: 1703400 CPU: 5322.1, 0.00316597/step Wall: 5322.1, 0.00316597/step, 2.89915 hours remaining, 234.253906 MB of memory in use. ENERGY: 1703400 3977.9957 20512.3444 14448.6343 252.5900 -203737.2312 3028.8798 0.0000 0.0000 52017.6620 -109499.1249 298.9462 -161516.7870 -109138.2857 298.5241 27.8516 53.3619 761417.6053 0.0102 -0.0858 PRESSURE: 1703600 -165.597 -71.3166 308.867 -71.3171 -337.891 -97.1737 308.868 -97.1725 -374.393 GPRESSURE: 1703600 -145.055 -49.8484 336.371 -89.224 -269.048 -52.7325 169.874 -156.554 -392.652 PRESSAVG: 1703600 26.7455 39.0517 -41.0887 39.0517 4.37837 35.9436 -41.0886 35.9436 -24.8288 GPRESSAVG: 1703600 26.8866 38.2588 -40.8764 40.3814 5.37843 36.5524 -40.1787 36.1653 -26.0654 TIMING: 1703600 CPU: 5322.73, 0.00313707/step Wall: 5322.73, 0.00313707/step, 2.87251 hours remaining, 234.253906 MB of memory in use. ENERGY: 1703600 4117.5440 20578.3232 14455.9577 237.8690 -203492.9261 2873.3329 0.0000 0.0000 51888.7921 -109341.1072 298.2056 -161229.8993 -108980.3895 299.2223 -292.6271 -268.9184 762116.0506 2.0984 2.0665 PRESSURE: 1703800 194.776 -113.128 -72.7101 -113.129 282.756 -175.764 -72.7099 -175.763 81.0681 GPRESSURE: 1703800 204.304 -48.9393 -130.406 -57.4171 290.697 -182.224 -64.8202 -103.201 164.56 PRESSAVG: 1703800 -55.8563 39.5893 8.52097 39.5892 39.7429 -34.3283 8.5209 -34.3283 -8.80248 GPRESSAVG: 1703800 -56.2738 40.0369 9.17368 41.1437 38.2243 -36.2233 6.80138 -33.4081 -6.72893 TIMING: 1703800 CPU: 5323.35, 0.00313506/step Wall: 5323.35, 0.00313506/step, 2.87049 hours remaining, 234.511719 MB of memory in use. ENERGY: 1703800 4006.7350 20612.7378 14487.3371 259.2664 -203516.7401 2962.2129 0.0000 0.0000 51849.5383 -109338.9126 297.9800 -161188.4510 -108970.1756 298.8209 186.2002 219.8537 763079.5667 -8.3053 -8.2595 PRESSURE: 1704000 -605.815 -64.2546 148.709 -64.2542 -178.873 -201.243 148.71 -201.244 -328.114 GPRESSURE: 1704000 -522.562 -74.8724 200.737 -92.6683 -62.5338 -237.695 62.6506 -247.167 -439.19 PRESSAVG: 1704000 -31.0438 -13.0244 28.7661 -13.0243 31.3494 -40.5931 28.7662 -40.5931 12.5784 GPRESSAVG: 1704000 -31.2718 -12.4613 27.5576 -14.3093 32.6999 -40.2218 28.6092 -41.1458 11.6152 TIMING: 1704000 CPU: 5323.98, 0.00312204/step Wall: 5323.98, 0.00312204/step, 2.85841 hours remaining, 234.511719 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: 1704000 4131.6905 20387.0739 14416.4010 254.7186 -203080.7511 2581.9084 0.0000 0.0000 52143.3220 -109165.6366 299.6684 -161308.9586 -108798.0761 299.2088 -370.9339 -341.4287 764328.7776 4.2947 4.3478 PRESSURE: 1704200 225.702 -81.2026 -124.525 -81.2035 317.634 130.59 -124.525 130.59 -142.234 GPRESSURE: 1704200 213.52 -94.4905 -93.4682 -178.47 349.206 127.215 -35.633 148.515 -78.4013 PRESSAVG: 1704200 -29.2558 -35.365 -2.10716 -35.365 40.0548 -37.7159 -2.10722 -37.7159 29.5647 GPRESSAVG: 1704200 -28.4942 -34.7452 -2.23732 -35.7184 39.9457 -35.78 -0.109999 -36.4017 29.0867 TIMING: 1704200 CPU: 5324.6, 0.00314133/step Wall: 5324.6, 0.00314133/step, 2.87588 hours remaining, 234.511719 MB of memory in use. ENERGY: 1704200 3955.2443 20578.1698 14426.7938 251.1787 -203274.0491 2835.2231 0.0000 0.0000 51996.8486 -109230.5908 298.8266 -161227.4394 -108861.2531 299.4307 133.7009 161.4415 763163.1595 13.4546 13.5127 LDB: ============= START OF LOAD BALANCING ============== 5337.08 LDB: ============== END OF LOAD BALANCING =============== 5337.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5337.09 LDB: ============= START OF LOAD BALANCING ============== 5337.4 LDB: Largest compute 7059 load 0.030317 is 15.5% of average load 0.195023 LDB: Average compute 0.004404 is 2.3% of average load 0.195023 LDB: TIME 5337.4 LOAD: AVG 0.195023 MAX 0.214401 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.242 MB LDB: TIME 5337.4 LOAD: AVG 0.195023 MAX 0.214401 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.242 MB LDB: TIME 5337.4 LOAD: AVG 0.195023 MAX 0.214401 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.242 MB LDB: ============== END OF LOAD BALANCING =============== 5337.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5337.41 PRESSURE: 1704400 282.271 42.2218 -18.213 42.2221 -276.247 -50.7507 -18.2125 -50.752 -311.86 GPRESSURE: 1704400 199.38 5.23343 -77.15 40.5329 -169.513 29.159 9.42564 -9.28719 -248.302 PRESSAVG: 1704400 -8.09129 -14.5381 -9.6959 -14.5381 4.08648 29.4621 -9.69589 29.4621 -0.589943 GPRESSAVG: 1704400 -9.32068 -15.8783 -10.2378 -15.5213 3.19086 28.4303 -11.3551 29.5843 0.910441 TIMING: 1704400 CPU: 5325.24, 0.00319857/step Wall: 5325.24, 0.00319857/step, 2.92811 hours remaining, 234.300781 MB of memory in use. ENERGY: 1704400 3933.6700 20576.8504 14478.4906 259.9152 -203188.9752 2776.0780 0.0000 0.0000 52188.6298 -108975.3411 299.9288 -161163.9709 -108613.2545 299.4202 -101.9454 -72.8117 763612.4129 -1.5316 -1.7398 PRESSURE: 1704600 285.368 96.6035 78.1978 96.6031 9.87583 -61.1307 78.1975 -61.1314 -99.4276 GPRESSURE: 1704600 354.234 215.779 69.5782 -7.92904 113.214 -129.019 99.8274 -85.1095 -175.668 PRESSAVG: 1704600 -28.5899 11.8599 19.7416 11.8599 15.0619 38.369 19.7416 38.369 -13.0034 GPRESSAVG: 1704600 -27.8109 10.9032 21.4726 15.3316 15.3874 37.2694 20.5334 36.6978 -14.2569 TIMING: 1704600 CPU: 5325.87, 0.00314596/step Wall: 5325.87, 0.00314596/step, 2.87977 hours remaining, 234.300781 MB of memory in use. ENERGY: 1704600 3984.4666 20493.3557 14503.0661 250.1843 -203593.4985 3242.9338 0.0000 0.0000 52076.6289 -109042.8631 299.2851 -161119.4920 -108686.7008 299.6059 65.2721 97.2602 763796.9536 -8.8438 -8.8935 PRESSURE: 1704800 -51.1749 -50.2951 -27.0067 -50.2953 -7.79271 -58.4439 -27.0055 -58.443 -400.381 GPRESSURE: 1704800 10.1506 -124.522 -116.489 -74.8801 -53.368 -93.3339 16.1089 -35.5312 -316.691 PRESSAVG: 1704800 -18.7915 -50.2688 23.0945 -50.2688 15.9056 11.9716 23.0945 11.9716 -9.46217 GPRESSAVG: 1704800 -18.1422 -50.5783 21.8805 -52.4688 15.2254 10.9901 23.1868 13.1248 -9.02497 TIMING: 1704800 CPU: 5326.5, 0.0031446/step Wall: 5326.5, 0.0031446/step, 2.87836 hours remaining, 234.300781 MB of memory in use. ENERGY: 1704800 3958.2028 20440.6977 14449.5446 242.5385 -203162.4461 2729.6780 0.0000 0.0000 52400.8088 -108940.9756 301.1482 -161341.7845 -108579.7263 299.6263 -153.1161 -119.9694 764570.8789 -4.1160 -3.9806 PRESSURE: 1705000 173.89 26.6226 -9.74301 26.6231 297.182 14.6831 -9.74357 14.6829 497.269 GPRESSURE: 1705000 251.389 -48.2988 -22.5965 -13.3657 357.723 -79.2667 -40.6352 114.984 430.382 PRESSAVG: 1705000 -3.75269 -37.8966 7.38072 -37.8966 -20.4122 -20.2775 7.3807 -20.2774 -13.7246 GPRESSAVG: 1705000 -4.12901 -35.6611 7.97895 -39.224 -18.9235 -18.9204 6.20603 -20.0103 -14.564 TIMING: 1705000 CPU: 5327.13, 0.00314037/step Wall: 5327.13, 0.00314037/step, 2.87431 hours remaining, 234.300781 MB of memory in use. ENERGY: 1705000 3936.2496 20525.1734 14476.7983 260.8112 -203085.5104 2934.4603 0.0000 0.0000 51846.9748 -109105.0428 297.9653 -160952.0175 -108735.6944 299.3784 322.7803 346.4978 762960.5084 -12.6298 -12.5388 PRESSURE: 1705200 -112.767 -5.65342 162.658 -5.65346 87.2467 -102.223 162.657 -102.222 -396.25 GPRESSURE: 1705200 -4.63121 -89.6273 102.693 -96.941 113.854 -127.881 147.377 -65.1215 -435.168 PRESSAVG: 1705200 12.6304 -13.2192 8.17034 -13.2193 29.4216 -26.8865 8.17026 -26.8864 -9.93708 GPRESSAVG: 1705200 11.9863 -14.7733 7.93696 -12.4299 29.3039 -27.1728 11.2253 -26.9715 -9.31129 TIMING: 1705200 CPU: 5327.76, 0.00314848/step Wall: 5327.76, 0.00314848/step, 2.88156 hours remaining, 234.300781 MB of memory in use. ENERGY: 1705200 4066.6595 20542.9725 14474.0626 275.1613 -203148.8757 2670.6868 0.0000 0.0000 52133.6092 -108985.7238 299.6126 -161119.3330 -108636.6279 299.1834 -140.5901 -108.6486 763894.0480 10.7049 10.6596 PRESSURE: 1705400 -99.6746 -67.9907 -19.0995 -67.9901 -254.673 -67.3182 -19.0987 -67.3186 410.781 GPRESSURE: 1705400 -90.6032 -45.7051 -67.7392 125.363 -239.998 -104.944 -116.817 -100.499 459.366 PRESSAVG: 1705400 18.6994 -15.7895 -70.7163 -15.7895 -36.9569 -64.2106 -70.7163 -64.2106 -1.8454 GPRESSAVG: 1705400 19.3239 -15.6181 -69.0054 -14.7868 -38.4561 -64.7509 -72.0464 -66.1931 -1.08254 TIMING: 1705400 CPU: 5328.39, 0.00313852/step Wall: 5328.39, 0.00313852/step, 2.87227 hours remaining, 234.300781 MB of memory in use. ENERGY: 1705400 3989.7988 20789.3760 14480.9529 243.3407 -203638.7943 2934.9582 0.0000 0.0000 52053.7477 -109146.6200 299.1536 -161200.3677 -108792.4870 299.2597 18.8112 42.9218 763966.9204 -6.7010 -6.7382 PRESSURE: 1705600 -41.2595 8.40161 -189.945 8.40146 277.417 10.839 -189.946 10.8397 -18.7692 GPRESSURE: 1705600 -51.9604 9.7563 -14.0894 90.6561 207.249 36.3129 -173.621 80.6166 125.602 PRESSAVG: 1705600 -26.7297 -55.8524 -45.1209 -55.8524 5.50067 -29.362 -45.1209 -29.3621 -1.15139 GPRESSAVG: 1705600 -26.0851 -55.4449 -43.7634 -55.3467 5.28127 -27.1263 -46.5121 -28.2988 -1.03485 TIMING: 1705600 CPU: 5329.01, 0.00313316/step Wall: 5329.01, 0.00313316/step, 2.86719 hours remaining, 234.300781 MB of memory in use. ENERGY: 1705600 4033.7472 20722.2006 14458.7810 245.6941 -203287.7964 2941.1094 0.0000 0.0000 51916.8019 -108969.4621 298.3666 -160886.2640 -108600.4583 299.5555 72.4627 93.6304 763013.4102 -7.4601 -7.2796 PRESSURE: 1705800 -450.141 -56.1298 -42.3044 -56.1305 -333.478 65.7183 -42.304 65.7193 -565.158 GPRESSURE: 1705800 -368.152 -19.8154 -134.106 -186.398 -334.156 61.9536 -67.7549 208.055 -550.938 PRESSAVG: 1705800 -54.9389 -37.208 -29.3903 -37.2081 63.9971 0.564988 -29.3903 0.56495 -18.2483 GPRESSAVG: 1705800 -55.7735 -37.8655 -30.7225 -38.1978 65.9269 0.166488 -28.6765 1.29552 -19.0359 TIMING: 1705800 CPU: 5329.64, 0.00311522/step Wall: 5329.64, 0.00311522/step, 2.8506 hours remaining, 234.300781 MB of memory in use. ENERGY: 1705800 4012.8020 20619.9010 14500.0583 253.0410 -202940.4812 2411.2897 0.0000 0.0000 52110.0637 -109033.3254 299.4773 -161143.3891 -108671.2193 299.7134 -449.5924 -417.7489 763769.6887 -3.0634 -2.9608 PRESSURE: 1706000 -121.795 -29.1255 -106.854 -29.1264 215.343 68.4326 -106.853 68.4317 94.0469 GPRESSURE: 1706000 -108.862 -118.004 -210.017 4.88589 253.067 -137.687 -114.385 116.31 127.247 PRESSAVG: 1706000 -74.3669 -4.15583 -31.2316 -4.1559 51.7819 4.38507 -31.2315 4.3851 -2.89323 GPRESSAVG: 1706000 -73.5883 -4.60114 -31.448 -4.35756 51.1585 3.52314 -30.5423 4.59737 -2.70108 TIMING: 1706000 CPU: 5330.26, 0.00311504/step Wall: 5330.26, 0.00311504/step, 2.85026 hours remaining, 234.300781 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: 1706000 3944.5768 20634.5124 14486.9924 238.4507 -203446.3965 2927.1114 0.0000 0.0000 52212.7216 -109002.0311 300.0672 -161214.7527 -108645.2559 299.7794 62.5318 90.4836 762477.9288 -8.4928 -8.3770 PRESSURE: 1706200 -273.329 304.701 -181.021 304.701 217.013 -42.2322 -181.021 -42.2322 40.1259 GPRESSURE: 1706200 -147.582 254.323 -116.158 224.679 237.002 -122.25 -143.116 3.4313 -15.2788 PRESSAVG: 1706200 -90.5099 -28.3197 20.7696 -28.3196 78.7014 9.59092 20.7695 9.59085 -14.9866 GPRESSAVG: 1706200 -91.1386 -29.5432 21.2002 -27.5447 79.4973 8.92574 19.5333 7.6236 -15.5902 TIMING: 1706200 CPU: 5330.89, 0.0031357/step Wall: 5330.89, 0.0031357/step, 2.86899 hours remaining, 234.300781 MB of memory in use. ENERGY: 1706200 3940.0828 20598.3601 14508.5861 247.4581 -203126.6687 2792.8196 0.0000 0.0000 52050.4747 -108988.8872 299.1348 -161039.3619 -108626.4521 299.8356 -5.3967 24.7137 763462.9876 -8.9317 -9.0771 PRESSURE: 1706400 -305.711 -124.464 12.801 -124.463 -344.027 89.248 12.8012 89.2477 -109.859 GPRESSURE: 1706400 -281.159 -122.642 20.2651 -100.299 -279.083 121.4 -67.4272 18.6769 -120.329 PRESSAVG: 1706400 -72.7853 5.94768 -59.8523 5.94775 33.9713 6.33064 -59.8524 6.33072 -11.9834 GPRESSAVG: 1706400 -74.0708 7.47902 -60.0731 5.6541 34.5853 7.10069 -61.579 8.20172 -11.599 TIMING: 1706400 CPU: 5331.51, 0.00312148/step Wall: 5331.51, 0.00312148/step, 2.8558 hours remaining, 234.300781 MB of memory in use. ENERGY: 1706400 4018.3064 20605.6188 14504.6653 248.2117 -202536.9286 2285.3505 0.0000 0.0000 51957.7312 -108917.0448 298.6018 -160874.7759 -108546.1301 299.6707 -253.1989 -226.8570 764461.9828 -16.9324 -17.0282 PRESSURE: 1706600 -415.78 227.882 -135.283 227.882 108.671 166.047 -135.284 166.047 -308.932 GPRESSURE: 1706600 -286.208 134.227 -91.8127 163.44 41.5483 96.948 23.5456 130.695 -301.1 PRESSAVG: 1706600 -63.7233 -46.9245 -66.9246 -46.9245 65.7165 51.062 -66.9246 51.062 -11.3895 GPRESSAVG: 1706600 -62.2189 -47.5385 -67.7544 -46.585 63.4264 50.7933 -64.6933 49.3899 -10.6324 TIMING: 1706600 CPU: 5332.14, 0.00314353/step Wall: 5332.14, 0.00314353/step, 2.8758 hours remaining, 234.300781 MB of memory in use. ENERGY: 1706600 3999.5287 20565.0880 14446.2993 243.3421 -203152.5984 2494.1874 0.0000 0.0000 52291.9142 -109112.2388 300.5223 -161404.1529 -108754.4549 299.9087 -205.3471 -181.9200 762400.9699 -3.1321 -3.1416 PRESSURE: 1706800 -10.5411 3.5835 207.171 3.58313 -332.275 96.5806 207.171 96.5802 -34.2257 GPRESSURE: 1706800 -60.4307 -72.7442 269.698 7.5471 -192.663 58.1752 204.935 24.8451 -56.9827 PRESSAVG: 1706800 -22.2184 -18.4786 30.0436 -18.4786 22.1817 36.249 30.0436 36.249 6.69756 GPRESSAVG: 1706800 -23.2638 -16.3526 31.0704 -20.6181 24.4386 36.1952 29.0779 37.0035 5.81007 TIMING: 1706800 CPU: 5332.77, 0.00313232/step Wall: 5332.77, 0.00313232/step, 2.86537 hours remaining, 234.300781 MB of memory in use. ENERGY: 1706800 4008.3887 20619.1753 14455.4165 248.0105 -203056.4393 2553.7406 0.0000 0.0000 52002.2201 -109169.4876 298.8575 -161171.7077 -108811.6226 299.3255 -125.6804 -103.3589 763529.6728 2.2203 2.3283 PRESSURE: 1707000 -68.315 79.6073 171.18 79.6084 221.641 52.3401 171.179 52.3409 -97.1282 GPRESSURE: 1707000 53.0206 103.1 154.485 43.0447 186.06 20.7286 83.3046 16.4166 -104.26 PRESSAVG: 1707000 -44.9462 -18.872 13.5075 -18.872 29.837 4.29643 13.5075 4.29638 -1.99253 GPRESSAVG: 1707000 -45.0033 -19.7407 13.4968 -19.7694 29.7028 3.7208 13.9632 3.15714 -1.95834 TIMING: 1707000 CPU: 5333.4, 0.0031428/step Wall: 5333.4, 0.0031428/step, 2.87479 hours remaining, 234.300781 MB of memory in use. ENERGY: 1707000 3969.1452 20649.5381 14521.0966 257.5588 -203160.8135 2543.0107 0.0000 0.0000 52175.4875 -109044.9766 299.8532 -161220.4642 -108683.8342 298.9107 18.7325 44.9401 764587.2593 -5.7006 -5.7529 PRESSURE: 1707200 -71.2159 -43.9522 -91.8606 -43.9525 217.031 -39.9823 -91.8597 -39.9822 239.797 GPRESSURE: 1707200 5.28371 -86.1801 2.94073 -52.0944 226.728 -56.316 -14.5243 12.7227 246.741 PRESSAVG: 1707200 -21.2454 -32.082 -35.212 -32.082 67.2831 -5.97417 -35.2121 -5.97414 12.6091 GPRESSAVG: 1707200 -21.7537 -31.9756 -33.7172 -29.6022 67.1596 -4.97607 -34.2281 -5.80698 13.6469 TIMING: 1707200 CPU: 5334.03, 0.00314626/step Wall: 5334.03, 0.00314626/step, 2.87778 hours remaining, 234.300781 MB of memory in use. ENERGY: 1707200 3984.0922 20584.8740 14536.4891 264.4751 -203627.8939 3012.2721 0.0000 0.0000 52287.5537 -108958.1378 300.4973 -161245.6914 -108586.1232 299.9673 128.5375 159.5841 763544.1778 19.5489 19.6843 PRESSURE: 1707400 -201.386 -125.06 191.622 -125.06 -275.873 35.1178 191.621 35.1183 -66.8722 GPRESSURE: 1707400 -181.507 -101.549 205.128 -146.642 -129.256 20.9372 131.409 -75.2725 -130.996 PRESSAVG: 1707400 -49.731 -0.439505 3.84706 -0.43957 47.8417 -30.774 3.84707 -30.7739 -15.2522 GPRESSAVG: 1707400 -48.2676 -2.94381 1.90636 -0.956439 47.9801 -31.0565 2.54715 -28.9551 -17.3442 TIMING: 1707400 CPU: 5334.65, 0.0031339/step Wall: 5334.65, 0.0031339/step, 2.8663 hours remaining, 234.300781 MB of memory in use. ENERGY: 1707400 4026.4803 20677.1947 14428.0315 233.2862 -202832.8184 2552.7638 0.0000 0.0000 51997.8049 -108917.2572 298.8321 -160915.0620 -108566.3535 299.7585 -181.3770 -147.2529 763689.0613 -5.7138 -5.8772 PRESSURE: 1707600 -147.557 -72.6111 -84.7646 -72.6114 -40.2008 94.3228 -84.765 94.3226 77.7826 GPRESSURE: 1707600 -95.4424 -180.78 -82.0436 31.4037 6.02614 105.922 5.56987 59.4156 87.3677 PRESSAVG: 1707600 -49.7121 -24.634 0.463132 -24.634 5.71699 -4.40162 0.463098 -4.40157 -7.68338 GPRESSAVG: 1707600 -51.7426 -24.17 0.558338 -24.4541 5.81356 -3.85778 0.710653 -7.14454 -6.55513 TIMING: 1707600 CPU: 5335.28, 0.00315445/step Wall: 5335.28, 0.00315445/step, 2.88492 hours remaining, 234.300781 MB of memory in use. ENERGY: 1707600 3975.3761 20304.6114 14414.2873 254.5214 -202744.4804 2617.8371 0.0000 0.0000 52190.9419 -108986.9051 299.9421 -161177.8470 -108617.8136 299.2492 -36.6582 -0.6828 763071.9590 -17.2262 -17.4947 PRESSURE: 1707800 -281.803 18.0744 203.109 18.0742 292.442 -177.201 203.109 -177.201 369.247 GPRESSURE: 1707800 -220.865 102.85 244.288 32.0884 229.504 -199.681 144.628 -125.525 466.837 PRESSAVG: 1707800 -24.9945 -49.3193 -17.1398 -49.3194 33.0469 16.0358 -17.1398 16.0358 1.2254 GPRESSAVG: 1707800 -23.9949 -47.1447 -15.9994 -49.9855 31.2652 14.9555 -17.1281 18.0351 1.91853 TIMING: 1707800 CPU: 5335.91, 0.0031296/step Wall: 5335.91, 0.0031296/step, 2.86202 hours remaining, 234.300781 MB of memory in use. ENERGY: 1707800 4018.3700 20342.1199 14401.7650 229.1961 -203041.6926 2820.9220 0.0000 0.0000 52091.7776 -109137.5420 299.3722 -161229.3196 -108773.0945 299.0526 126.6287 158.4921 762354.8268 3.0926 3.0629 PRESSURE: 1708000 -151.151 -52.7141 243.047 -52.7135 -354.282 8.18993 243.048 8.18872 -53.512 GPRESSURE: 1708000 -169.854 -183.372 149.141 -37.1111 -243.989 52.4804 350.848 50.5954 -36.5675 PRESSAVG: 1708000 -81.0696 26.4512 10.3778 26.4512 88.9656 -5.34193 10.3778 -5.34196 15.3507 GPRESSAVG: 1708000 -81.4821 25.6141 8.67683 28.0734 89.7053 -4.85964 9.69726 -4.979 14.7825 TIMING: 1708000 CPU: 5336.53, 0.00312011/step Wall: 5336.53, 0.00312011/step, 2.85317 hours remaining, 234.300781 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: 1708000 3981.8650 20493.2617 14442.8255 231.8940 -202856.3660 2308.3546 0.0000 0.0000 52458.7544 -108939.4108 301.4812 -161398.1652 -108579.2208 299.6161 -186.3151 -150.1368 762494.8747 7.7489 7.6686 PRESSURE: 1708200 297.24 -295.152 143.339 -295.152 -80.9727 286.541 143.34 286.541 -101.885 GPRESSURE: 1708200 357.012 -249.942 168.316 -344.856 -95.7733 248.659 49.2393 242.938 -70.9745 PRESSAVG: 1708200 17.8183 9.59502 -14.7755 9.59508 19.2716 44.7004 -14.7755 44.7004 -6.05805 GPRESSAVG: 1708200 16.7899 6.68972 -14.3441 8.81622 20.1987 44.4092 -13.9543 44.4748 -5.90852 TIMING: 1708200 CPU: 5337.16, 0.00312928/step Wall: 5337.16, 0.00312928/step, 2.86138 hours remaining, 234.300781 MB of memory in use. ENERGY: 1708200 3898.4651 20534.6355 14477.8449 264.8375 -202963.1141 2498.6506 0.0000 0.0000 52408.5393 -108880.1411 301.1926 -161288.6804 -108511.7866 300.2977 38.1273 63.4214 761321.3399 10.3440 10.3600 LDB: ============= START OF LOAD BALANCING ============== 5349.64 LDB: ============== END OF LOAD BALANCING =============== 5349.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5349.64 LDB: ============= START OF LOAD BALANCING ============== 5349.96 LDB: Largest compute 7059 load 0.029547 is 15.1% of average load 0.195053 LDB: Average compute 0.004406 is 2.3% of average load 0.195053 LDB: TIME 5349.96 LOAD: AVG 0.195053 MAX 0.213358 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.871 MB LDB: TIME 5349.96 LOAD: AVG 0.195053 MAX 0.213358 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.074 MB LDB: TIME 5349.96 LOAD: AVG 0.195053 MAX 0.213358 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.074 MB LDB: ============== END OF LOAD BALANCING =============== 5349.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5349.97 PRESSURE: 1708400 -89.0871 -192.184 -44.092 -192.183 440.253 -3.89402 -44.0921 -3.89392 -194.993 GPRESSURE: 1708400 89.9127 -164.031 6.47908 -138.029 353.366 -54.3589 -51.1951 -41.9701 -196.475 PRESSAVG: 1708400 19.9015 30.6688 36.0901 30.6688 17.0756 -20.4951 36.0901 -20.4951 16.3465 GPRESSAVG: 1708400 20.2814 33.4693 35.7106 30.4782 17.0817 -20.3989 35.5943 -21.378 15.8795 TIMING: 1708400 CPU: 5337.8, 0.00320852/step Wall: 5337.8, 0.00320852/step, 2.93366 hours remaining, 235.593750 MB of memory in use. ENERGY: 1708400 3996.0237 20507.3453 14479.1561 243.7316 -202784.0389 2567.2239 0.0000 0.0000 51988.9478 -109001.6104 298.7812 -160990.5582 -108631.3607 300.1336 52.0576 82.2680 762076.6646 17.7745 17.7476 PRESSURE: 1708600 -133.888 112.588 22.3512 112.587 -236.637 -241.828 22.3515 -241.828 27.1116 GPRESSURE: 1708600 -64.627 100.315 28.7935 -3.46558 -185.609 -208.898 -103.137 -86.066 1.5327 PRESSAVG: 1708600 -37.8995 36.1267 8.55724 36.1267 -3.83442 12.999 8.5573 12.999 -12.4252 GPRESSAVG: 1708600 -36.8747 36.1653 10.0457 36.6203 -4.90791 15.042 8.87335 14.3084 -12.6182 TIMING: 1708600 CPU: 5338.43, 0.00312484/step Wall: 5338.43, 0.00312484/step, 2.85698 hours remaining, 235.593750 MB of memory in use. ENERGY: 1708600 4037.2262 20556.4451 14497.3181 251.1186 -203091.9027 2750.0999 0.0000 0.0000 52275.1880 -108724.5068 300.4262 -160999.6948 -108369.8365 299.7125 -114.4711 -82.9010 762942.0688 -18.0531 -18.1336 PRESSURE: 1708800 -360.044 103.626 -247.1 103.626 -221.296 77.7198 -247.099 77.7204 -317.769 GPRESSURE: 1708800 -358.493 135.614 -216.315 97.7868 -141.793 109.963 -143.562 58.6985 -287.468 PRESSAVG: 1708800 -6.46923 54.1148 10.4089 54.1148 12.1707 31.2533 10.4089 31.2533 16.5654 GPRESSAVG: 1708800 -7.61597 54.5963 9.28722 52.9271 12.9363 30.4116 10.1787 30.4913 17.0789 TIMING: 1708800 CPU: 5339.05, 0.0031431/step Wall: 5339.05, 0.0031431/step, 2.8735 hours remaining, 235.593750 MB of memory in use. ENERGY: 1708800 3991.3329 20412.1189 14584.3972 242.9662 -202458.4045 2267.5531 0.0000 0.0000 52372.1393 -108587.8967 300.9834 -160960.0360 -108213.3909 300.2433 -299.7027 -262.5846 763627.8614 7.4223 7.4664 PRESSURE: 1709000 -144.493 186.621 187.182 186.622 314.34 101.115 187.182 101.115 196.944 GPRESSURE: 1709000 -14.5274 164.973 149.636 118.407 208.828 63.1439 256.602 -15.964 254.057 PRESSAVG: 1709000 -67.0482 15.4656 21.9658 15.4655 41.0288 16.8343 21.9658 16.8344 11.8565 GPRESSAVG: 1709000 -65.1551 14.0152 23.7189 17.1554 39.3507 16.9458 21.7241 15.2672 11.0449 TIMING: 1709000 CPU: 5339.68, 0.00314497/step Wall: 5339.68, 0.00314497/step, 2.87503 hours remaining, 235.593750 MB of memory in use. ENERGY: 1709000 4036.3765 20648.3548 14403.0474 264.2675 -202693.6219 2503.4237 0.0000 0.0000 52190.5213 -108647.6307 299.9396 -160838.1520 -108286.3210 300.6113 122.2638 149.4525 762591.4463 -4.7210 -4.9198 PRESSURE: 1709200 40.9151 266.378 98.1961 266.378 321.729 30.5429 98.1963 30.5421 434.119 GPRESSURE: 1709200 70.234 264.11 137.406 292.152 380.032 2.15552 13.4134 28.4567 427.508 PRESSAVG: 1709200 -76.0196 46.0636 8.80708 46.0636 72.5718 -0.288546 8.80704 -0.288436 9.91877 GPRESSAVG: 1709200 -76.7345 47.4509 9.15225 44.2821 73.5076 -0.932149 6.76135 1.47655 9.64135 TIMING: 1709200 CPU: 5340.31, 0.00312026/step Wall: 5340.31, 0.00312026/step, 2.85226 hours remaining, 235.593750 MB of memory in use. ENERGY: 1709200 3985.4443 20526.6174 14438.7975 250.1511 -202706.9104 2699.6432 0.0000 0.0000 52236.4338 -108569.8230 300.2035 -160806.2568 -108213.4301 300.3289 265.5876 292.5912 763289.2608 2.1570 2.1382 PRESSURE: 1709400 -116.858 132.247 1.21744 132.247 -325.369 -74.2456 1.21689 -74.2463 91.6073 GPRESSURE: 1709400 -73.0984 21.62 -79.4684 96.9955 -313.865 -93.2506 -5.95181 -16.6084 103.194 PRESSAVG: 1709400 -69.7039 27.7985 30.6969 27.7986 30.6866 -43.4473 30.6969 -43.4474 8.88652 GPRESSAVG: 1709400 -69.5708 27.3512 28.9079 29.8073 30.9366 -42.5798 33.609 -42.9121 8.37697 TIMING: 1709400 CPU: 5340.93, 0.00312154/step Wall: 5340.93, 0.00312154/step, 2.85326 hours remaining, 235.593750 MB of memory in use. ENERGY: 1709400 3961.1805 20527.9157 14453.6445 264.5470 -202886.4866 2748.3131 0.0000 0.0000 52435.6477 -108495.2381 301.3484 -160930.8858 -108144.0639 300.3677 -116.8731 -94.5899 764707.6956 -10.0436 -10.0857 PRESSURE: 1709600 -175.656 -55.3675 14.4939 -55.3685 -142.279 53.2516 14.4941 53.2515 -287.498 GPRESSURE: 1709600 -136.682 -76.2173 141.766 -153.375 -78.2627 87.993 30.1411 64.3777 -308.772 PRESSAVG: 1709600 12.9552 22.8718 22.8335 22.8718 12.47 -3.80476 22.8336 -3.8048 -5.25195 GPRESSAVG: 1709600 13.6778 21.0191 23.5446 20.5032 11.1373 -3.93189 22.8453 -3.55441 -4.8358 TIMING: 1709600 CPU: 5341.56, 0.00313414/step Wall: 5341.56, 0.00313414/step, 2.8646 hours remaining, 235.593750 MB of memory in use. ENERGY: 1709600 3988.0917 20710.6728 14543.6877 237.7882 -202507.9905 2447.2282 0.0000 0.0000 52223.9989 -108356.5230 300.1320 -160580.5218 -107999.6839 301.0890 -201.8108 -174.5722 764374.0076 6.7244 6.6597 PRESSURE: 1709800 -32.5591 98.1152 -158.293 98.1153 135.174 15.7006 -158.293 15.7 96.5136 GPRESSURE: 1709800 -18.6738 149.106 -171.867 88.5972 159.981 -112.8 -176.211 -35.7246 151.101 PRESSAVG: 1709800 -39.2201 15.8238 18.6832 15.8238 62.5219 -31.3522 18.6832 -31.3522 25.6571 GPRESSAVG: 1709800 -40.2773 16.7921 16.9309 16.2073 63.4139 -32.3473 19.4679 -31.9745 26.1847 TIMING: 1709800 CPU: 5342.19, 0.00313557/step Wall: 5342.19, 0.00313557/step, 2.86574 hours remaining, 235.593750 MB of memory in use. ENERGY: 1709800 3964.2008 20548.5555 14489.5712 259.7905 -203208.4936 2734.0493 0.0000 0.0000 52736.7310 -108475.5953 303.0787 -161212.3262 -108108.6440 300.9362 66.3761 97.4695 763313.4953 16.3196 16.4405 PRESSURE: 1710000 -194.895 169.079 159.013 169.079 -134.825 178.31 159.013 178.31 -182.653 GPRESSURE: 1710000 -53.6512 137.524 313.05 158.474 -150.661 229.858 24.71 78.5544 -239.903 PRESSAVG: 1710000 -18.1908 25.1164 3.58169 25.1164 71.1854 -25.8426 3.58163 -25.8426 12.5623 GPRESSAVG: 1710000 -18.0052 24.7983 5.50096 25.9446 71.7161 -25.572 3.40079 -28.2101 11.6448 TIMING: 1710000 CPU: 5342.81, 0.00312566/step Wall: 5342.81, 0.00312566/step, 2.8565 hours remaining, 235.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1710000 4034.6699 20668.9312 14499.0341 253.4937 -203125.5469 2536.5613 0.0000 0.0000 52464.5232 -108668.3335 301.5143 -161132.8567 -108295.5280 301.2190 -170.7911 -148.0717 764720.5835 21.8523 21.7852 PRESSURE: 1710200 -355.77 64.9947 130.69 64.9952 -136.048 -152.645 130.69 -152.645 329.693 GPRESSURE: 1710200 -354.335 66.7714 132.149 118.117 -56.0506 -149.898 42.8987 -90.4082 332.364 PRESSAVG: 1710200 -11.7984 -0.262605 22.628 -0.262621 0.0102651 -23.9124 22.628 -23.9124 10.1218 GPRESSAVG: 1710200 -12.1818 -0.0983554 25.3443 -1.76845 0.948511 -23.9167 20.7985 -24.2506 9.5742 TIMING: 1710200 CPU: 5343.44, 0.00312366/step Wall: 5343.44, 0.00312366/step, 2.8545 hours remaining, 235.593750 MB of memory in use. ENERGY: 1710200 3985.4163 20607.5446 14542.6463 238.6501 -203176.8853 2724.8162 0.0000 0.0000 52421.7763 -108656.0355 301.2687 -161077.8118 -108295.2533 300.7077 -54.0416 -26.0070 764170.6323 -0.5554 -0.5530 PRESSURE: 1710400 60.4496 247.24 114.301 247.239 30.869 100.628 114.302 100.629 115.031 GPRESSURE: 1710400 98.207 293.776 99.958 184.043 28.4078 116.725 -35.8145 89.2836 174.329 PRESSAVG: 1710400 -32.8966 9.19656 52.1576 9.19654 18.2051 9.71929 52.1576 9.71922 -1.85485 GPRESSAVG: 1710400 -32.7339 8.47811 50.2525 9.11001 16.1269 12.1521 51.1292 12.1128 0.20044 TIMING: 1710400 CPU: 5344.07, 0.00315846/step Wall: 5344.07, 0.00315846/step, 2.88613 hours remaining, 235.593750 MB of memory in use. ENERGY: 1710400 4003.2923 20612.0339 14478.8564 237.7310 -203457.9851 2889.9096 0.0000 0.0000 52376.6208 -108859.5412 301.0092 -161236.1620 -108492.8446 300.2762 68.7833 100.3147 762625.9058 -5.5154 -5.4689 PRESSURE: 1710600 146.282 -294.75 24.5582 -294.751 -61.5192 9.41363 24.5593 9.414 426.302 GPRESSURE: 1710600 125.196 -309.325 -13.2166 -295.052 -49.6356 43.4863 24.4179 11.6768 503.146 PRESSAVG: 1710600 -50.1586 53.281 -6.70812 53.281 28.264 -33.5869 -6.70814 -33.5869 1.14574 GPRESSAVG: 1710600 -49.92 52.6062 -7.77422 52.0931 29.1729 -33.9153 -5.50505 -35.709 -0.405288 TIMING: 1710600 CPU: 5344.69, 0.00313951/step Wall: 5344.69, 0.00313951/step, 2.86864 hours remaining, 235.593750 MB of memory in use. ENERGY: 1710600 4002.2703 20611.3110 14482.3706 233.6696 -203316.1722 2943.6787 0.0000 0.0000 52264.9033 -108777.9688 300.3671 -161042.8721 -108405.4103 300.0855 170.3548 192.9020 762716.9650 -6.9163 -7.0508 PRESSURE: 1710800 394.737 112.484 -43.0703 112.485 446.297 101.047 -43.0711 101.046 294.501 GPRESSURE: 1710800 438.475 170.206 31.324 20.9272 503.747 138.207 -26.3942 105.409 284.358 PRESSAVG: 1710800 18.9493 17.8125 17.2267 17.8125 3.25093 -18.5384 17.2267 -18.5384 15.0626 GPRESSAVG: 1710800 18.5615 19.1688 17.0139 19.2356 3.62801 -20.2001 18.522 -19.9008 15.5518 TIMING: 1710800 CPU: 5345.33, 0.00316908/step Wall: 5345.33, 0.00316908/step, 2.89548 hours remaining, 235.593750 MB of memory in use. ENERGY: 1710800 3955.6523 20613.8277 14449.6863 242.3256 -203616.5417 3013.6690 0.0000 0.0000 52542.6142 -108798.7666 301.9631 -161341.3808 -108421.4820 299.9128 378.5120 408.8599 761873.1127 12.4209 12.5804 PRESSURE: 1711000 -101.871 -156.566 -83.7111 -156.566 229.528 -42.3001 -83.7105 -42.3003 -14.9094 GPRESSURE: 1711000 -49.0561 -214.554 -164.371 -226.947 288.547 -94.0397 -216.623 91.2877 -42.3006 PRESSAVG: 1711000 -24.9156 -11.163 -15.63 -11.1629 35.2742 -40.24 -15.63 -40.2401 0.369022 GPRESSAVG: 1711000 -24.4154 -11.9523 -17.5174 -10.0038 35.3631 -41.1914 -16.4141 -36.3465 -0.578348 TIMING: 1711000 CPU: 5345.96, 0.00314099/step Wall: 5345.96, 0.00314099/step, 2.86964 hours remaining, 235.593750 MB of memory in use. ENERGY: 1711000 3993.7274 20833.8313 14506.2992 247.4337 -203014.1221 2555.2476 0.0000 0.0000 52226.9361 -108650.6467 300.1489 -160877.5828 -108286.4070 300.5418 37.5823 65.7300 763558.8637 3.5759 3.4565 PRESSURE: 1711200 -23.189 133.287 178.138 133.287 92.849 -132.235 178.138 -132.235 -197.727 GPRESSURE: 1711200 21.8431 136.13 179.835 127.545 104.323 -100.13 320.316 -191.703 -160.858 PRESSAVG: 1711200 0.905991 19.1109 -4.37465 19.1109 26.93 49.5208 -4.37466 49.5208 -14.0564 GPRESSAVG: 1711200 0.287442 20.6185 -2.97828 17.9305 26.6768 50.9415 -3.5755 47.3296 -13.5027 TIMING: 1711200 CPU: 5346.59, 0.00315006/step Wall: 5346.59, 0.00315006/step, 2.87776 hours remaining, 235.593750 MB of memory in use. ENERGY: 1711200 4070.2748 20735.8722 14488.5940 242.6000 -202916.7132 2675.8459 0.0000 0.0000 52127.7456 -108575.7808 299.5789 -160703.5264 -108208.6584 300.4545 -42.6891 -11.5639 764402.8514 4.5932 4.4872 PRESSURE: 1711400 21.2894 -140.983 -61.4861 -140.982 259.675 -3.27595 -61.4862 -3.27698 35.651 GPRESSURE: 1711400 127.514 -1.38265 -127.076 -226.691 230.966 -111.871 -109.146 3.34232 29.8917 PRESSAVG: 1711400 -52.3287 10.6812 -44.801 10.6813 46.6567 -3.63622 -44.801 -3.63628 -3.15105 GPRESSAVG: 1711400 -51.6047 9.18236 -45.8549 11.9335 45.564 -6.57507 -43.838 -2.03765 -3.16763 TIMING: 1711400 CPU: 5347.22, 0.00316778/step Wall: 5347.22, 0.00316778/step, 2.89377 hours remaining, 235.593750 MB of memory in use. ENERGY: 1711400 4029.7166 20751.9139 14423.2683 256.8125 -203306.7885 2853.7533 0.0000 0.0000 52430.7637 -108560.5603 301.3203 -160991.3240 -108201.7984 300.6011 105.5385 129.4573 763837.1575 -2.9410 -3.0694 PRESSURE: 1711600 -259.426 42.4858 92.4324 42.4849 -39.9121 -80.7436 92.4314 -80.745 -296.414 GPRESSURE: 1711600 -284.979 27.2192 118.509 76.8148 -37.4079 -63.6705 -54.8075 -128.673 -188.437 PRESSAVG: 1711600 -25.3597 41.2755 -48.6918 41.2754 12.7153 37.7901 -48.6918 37.79 -31.1713 GPRESSAVG: 1711600 -25.6541 41.1888 -46.4002 40.9686 12.9078 37.5972 -50.3679 37.6052 -31.7337 TIMING: 1711600 CPU: 5347.86, 0.00317496/step Wall: 5347.86, 0.00317496/step, 2.90015 hours remaining, 235.593750 MB of memory in use. ENERGY: 1711600 3978.0100 20732.7127 14441.4231 242.2026 -202829.9453 2360.1578 0.0000 0.0000 52239.0490 -108836.3901 300.2185 -161075.4391 -108470.7920 300.5928 -198.5840 -170.2744 764242.3117 -14.6053 -14.8267 PRESSURE: 1711800 107.731 125.563 -32.913 125.563 184.035 115.988 -32.9126 115.988 217.725 GPRESSURE: 1711800 143.974 63.1809 -78.3023 95.8875 173.462 103.578 -56.8997 96.3492 265.494 PRESSAVG: 1711800 -34.4522 20.6446 23.2335 20.6446 71.6046 13.2256 23.2335 13.2258 -6.53783 GPRESSAVG: 1711800 -36.4714 20.7593 22.9278 21.0347 71.9771 17.7348 24.2718 10.0444 -5.39464 TIMING: 1711800 CPU: 5348.48, 0.00313449/step Wall: 5348.48, 0.00313449/step, 2.86301 hours remaining, 235.593750 MB of memory in use. ENERGY: 1711800 4013.8376 20757.4356 14491.8024 263.1290 -203241.3829 2680.6352 0.0000 0.0000 52165.8319 -108868.7112 299.7978 -161034.5431 -108508.8118 300.3394 169.8303 194.3102 763512.2934 10.2049 10.0370 PRESSURE: 1712000 158.704 -183 -33.8309 -183 -80.5463 -99.0329 -33.8305 -99.0338 321.813 GPRESSURE: 1712000 239.33 -158.812 -31.675 -102.183 -67.4718 -84.4699 -54.8413 17.1246 302.133 PRESSAVG: 1712000 -13.5867 35.4001 -29.0265 35.4001 27.7056 34.9883 -29.0265 34.9882 4.47802 GPRESSAVG: 1712000 -11.3639 36.1532 -29.0936 34.6463 28.2744 31.0314 -31.8476 40.0318 2.29391 TIMING: 1712000 CPU: 5349.11, 0.003147/step Wall: 5349.11, 0.003147/step, 2.87426 hours remaining, 235.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1712000 4024.0623 20631.1214 14439.7971 246.7312 -203572.9410 2948.1091 0.0000 0.0000 52175.9987 -109107.1213 299.8562 -161283.1199 -108737.7613 299.6110 133.3235 157.9972 762328.0166 6.1990 6.4015 PRESSURE: 1712200 73.5449 -124.832 -42.1615 -124.832 -17.7664 -65.8401 -42.1614 -65.8405 -10.1936 GPRESSURE: 1712200 48.8937 -128.169 -136.768 -162.744 -7.01988 18.0434 -64.0106 -21.0844 76.3809 PRESSAVG: 1712200 10.0835 36.1884 -21.8504 36.1884 27.9515 -5.39438 -21.8504 -5.39442 -15.0429 GPRESSAVG: 1712200 7.46323 35.185 -22.4432 35.5918 28.522 -5.68079 -19.825 -7.4992 -13.573 TIMING: 1712200 CPU: 5349.74, 0.00315665/step Wall: 5349.74, 0.00315665/step, 2.8829 hours remaining, 235.593750 MB of memory in use. ENERGY: 1712200 3970.5811 20583.7014 14438.4618 239.1128 -203193.8716 2633.8878 0.0000 0.0000 52080.5529 -109247.5738 299.3077 -161328.1267 -108884.0842 299.7993 15.1950 39.4183 762647.6207 7.6640 7.4707 LDB: ============= START OF LOAD BALANCING ============== 5362.22 LDB: ============== END OF LOAD BALANCING =============== 5362.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5362.22 LDB: ============= START OF LOAD BALANCING ============== 5362.54 LDB: Largest compute 6972 load 0.030858 is 15.8% of average load 0.194945 LDB: Average compute 0.004401 is 2.3% of average load 0.194945 LDB: TIME 5362.54 LOAD: AVG 0.194945 MAX 0.213229 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.211 MB LDB: TIME 5362.54 LOAD: AVG 0.194945 MAX 0.213229 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.211 MB LDB: TIME 5362.54 LOAD: AVG 0.194945 MAX 0.213229 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.211 MB LDB: ============== END OF LOAD BALANCING =============== 5362.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5362.55 PRESSURE: 1712400 -69.5532 -49.3627 -92.2667 -49.3618 -182.266 163.702 -92.2674 163.702 65.6579 GPRESSURE: 1712400 -30.5569 56.0199 -104.113 -102.848 -121.693 98.3808 -78.1569 245.825 54.9936 PRESSAVG: 1712400 7.90579 23.9322 -3.64044 23.9322 -19.2523 -36.1232 -3.6405 -36.1232 8.86654 GPRESSAVG: 1712400 9.28382 20.0927 -3.12009 28.1148 -18.9642 -34.9714 -2.83432 -35.9099 8.35506 TIMING: 1712400 CPU: 5350.39, 0.00321192/step Wall: 5350.39, 0.00321192/step, 2.9332 hours remaining, 235.082031 MB of memory in use. ENERGY: 1712400 3949.7018 20501.0407 14438.3740 247.9298 -203566.7152 2829.9280 0.0000 0.0000 52192.9690 -109406.7720 299.9537 -161599.7410 -109050.1547 298.9817 -62.0538 -32.4189 763242.7547 -0.8267 -0.4418 PRESSURE: 1712600 66.7529 15.4948 82.0881 15.4949 -221.041 76.764 82.0883 76.7647 -99.0596 GPRESSURE: 1712600 154.76 86.0393 131.131 12.2152 -210.854 31.2661 168.196 81.4259 -123.264 PRESSAVG: 1712600 -15.0961 -36.8301 -14.6882 -36.8301 9.42574 -0.487465 -14.6882 -0.487506 -17.702 GPRESSAVG: 1712600 -15.5436 -36.0845 -14.6184 -37.0387 9.61058 0.158079 -14.7088 -0.938483 -17.8265 TIMING: 1712600 CPU: 5351.01, 0.00314648/step Wall: 5351.01, 0.00314648/step, 2.87326 hours remaining, 235.082031 MB of memory in use. ENERGY: 1712600 3989.5952 20541.9029 14414.6305 246.4481 -203286.0635 2561.9558 0.0000 0.0000 52181.3136 -109350.2173 299.8867 -161531.5309 -108988.2955 299.1890 -84.4492 -59.7858 761611.4398 -7.7908 -7.9198 PRESSURE: 1712800 -203.798 3.30642 -128.563 3.30702 -210.668 114.647 -128.563 114.646 180.489 GPRESSURE: 1712800 -173.353 -153.39 -148.172 117.603 -182.42 81.0256 -66.4781 145.052 220.705 PRESSAVG: 1712800 -29.8578 -31.2199 -46.6956 -31.2199 11.2751 5.62796 -46.6956 5.62798 14.6665 GPRESSAVG: 1712800 -29.6558 -28.6371 -48.3324 -35.2944 10.6456 6.10821 -47.0459 5.63364 14.6211 TIMING: 1712800 CPU: 5351.65, 0.0031528/step Wall: 5351.65, 0.0031528/step, 2.87886 hours remaining, 235.082031 MB of memory in use. ENERGY: 1712800 3918.8959 20758.1036 14449.7406 231.1937 -203269.8562 2473.5780 0.0000 0.0000 51820.7879 -109617.5565 297.8148 -161438.3444 -109250.9079 298.6711 -77.9922 -45.0228 762397.3452 -1.3054 -1.4630 PRESSURE: 1713000 -235.11 -66.6206 -208.117 -66.6209 0.136494 230.408 -208.118 230.41 -216.148 GPRESSURE: 1713000 -180.752 -28.0934 -184.256 -50.8906 6.42374 191.465 -81.8766 143.739 -189.746 PRESSAVG: 1713000 -5.50496 -13.8046 -25.322 -13.8046 -40.6283 13.4144 -25.3219 13.4145 0.55401 GPRESSAVG: 1713000 -5.2333 -12.697 -23.8341 -10.3529 -41.5327 13.6184 -26.1765 11.9253 0.760125 TIMING: 1713000 CPU: 5352.27, 0.00313769/step Wall: 5352.27, 0.00313769/step, 2.86488 hours remaining, 235.082031 MB of memory in use. ENERGY: 1713000 3915.0444 20499.4807 14497.4067 253.6212 -203160.3169 2580.6329 0.0000 0.0000 51903.1344 -109510.9967 298.2880 -161414.1311 -109137.6635 298.4660 -150.3738 -121.3582 763143.9432 -15.1931 -15.3353 PRESSURE: 1713200 18.1777 -31.135 -401.673 -31.1342 -135.615 93.2182 -401.674 93.2173 -247.178 GPRESSURE: 1713200 43.8789 -14.7909 -336.114 19.993 -25.8383 142.265 -314.004 136.36 -286.507 PRESSAVG: 1713200 -8.78033 -18.8457 -22.9015 -18.8457 -7.65214 39.9954 -22.9015 39.9955 3.67655 GPRESSAVG: 1713200 -9.31261 -18.9257 -23.3497 -20.8443 -7.73114 39.3891 -22.5994 42.4951 3.85505 TIMING: 1713200 CPU: 5352.9, 0.00313631/step Wall: 5352.9, 0.00313631/step, 2.86345 hours remaining, 235.082031 MB of memory in use. ENERGY: 1713200 4008.0291 20357.4375 14443.7999 214.2181 -203246.9735 2570.3270 0.0000 0.0000 52141.6288 -109511.5331 299.6587 -161653.1619 -109140.0172 298.2345 -121.5383 -89.4887 762906.2735 -4.2520 -4.3962 PRESSURE: 1713400 -114.725 169.974 -60.0148 169.974 -49.2586 74.0827 -60.0143 74.0828 -125.787 GPRESSURE: 1713400 -110.145 306.25 -36.354 194.852 -17.66 5.46757 -28.332 -62.4286 -77.0309 PRESSAVG: 1713400 10.1679 -64.1353 -8.87345 -64.1352 -13.8212 30.3375 -8.87348 30.3375 11.1083 GPRESSAVG: 1713400 10.6523 -64.9164 -10.4563 -62.4371 -14.4518 30.8094 -7.89504 30.0062 11.5654 TIMING: 1713400 CPU: 5353.53, 0.00315192/step Wall: 5353.53, 0.00315192/step, 2.87753 hours remaining, 235.082031 MB of memory in use. ENERGY: 1713400 3999.3068 20680.6142 14435.9143 236.2400 -203455.6091 2621.9480 0.0000 0.0000 51877.1753 -109604.4106 298.1388 -161481.5858 -109245.6705 298.7289 -96.5901 -68.2785 763614.1346 2.4850 2.5886 PRESSURE: 1713600 -200.898 -91.6598 -403.469 -91.6597 -236.434 -59.3972 -403.47 -59.3974 -179.851 GPRESSURE: 1713600 -207.997 -134.354 -265.582 -3.65279 -205.718 -121.46 -368.753 40.7486 -143.17 PRESSAVG: 1713600 -10.264 -4.55844 24.1413 -4.5584 -6.97773 -37.7436 24.1412 -37.7436 33.6389 GPRESSAVG: 1713600 -9.91728 -6.40408 26.5558 -5.84603 -7.34501 -39.087 22.8344 -37.1386 33.6839 TIMING: 1713600 CPU: 5354.17, 0.00317539/step Wall: 5354.17, 0.00317539/step, 2.89877 hours remaining, 235.082031 MB of memory in use. ENERGY: 1713600 4042.6060 20583.3590 14468.8317 250.5455 -203159.6019 2491.9880 0.0000 0.0000 51979.6052 -109342.6666 298.7275 -161322.2718 -108984.2015 298.9004 -205.7276 -185.6284 764314.8255 5.4657 5.4739 PRESSURE: 1713800 222.9 -37.2056 -211.558 -37.2064 195.783 -66.1259 -211.557 -66.1269 -122.515 GPRESSURE: 1713800 315.647 23.4209 -161.074 -27.4481 211.468 0.430626 -201.43 -64.181 -170.313 PRESSAVG: 1713800 31.1629 14.7238 -10.8909 14.7237 -17.121 14.7339 -10.8909 14.7338 -1.65978 GPRESSAVG: 1713800 32.3375 17.3425 -10.6562 15.2638 -16.0865 17.2303 -9.9865 12.7159 -3.45434 TIMING: 1713800 CPU: 5354.8, 0.00315169/step Wall: 5354.8, 0.00315169/step, 2.87696 hours remaining, 235.082031 MB of memory in use. ENERGY: 1713800 3945.8572 20505.6302 14456.2505 235.3313 -203436.8049 2824.2441 0.0000 0.0000 52180.6607 -109288.8309 299.8830 -161469.4917 -108922.5620 299.0003 98.7228 118.9340 762744.9505 4.1274 4.2655 PRESSURE: 1714000 -150.249 -29.4232 -68.6499 -29.4235 35.4486 -18.79 -68.6503 -18.7903 -241.225 GPRESSURE: 1714000 -159.719 -47.9893 -65.1579 8.72777 80.3812 14.3486 -9.87363 57.182 -190.773 PRESSAVG: 1714000 -4.22337 -1.25758 -25.5572 -1.25763 -3.88406 13.3491 -25.5572 13.3491 -2.4559 GPRESSAVG: 1714000 -5.6476 -3.26045 -26.355 -1.12995 -3.60957 14.5569 -27.4948 13.7231 -1.45706 TIMING: 1714000 CPU: 5355.42, 0.00313998/step Wall: 5355.42, 0.00313998/step, 2.8661 hours remaining, 235.082031 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: 1714000 4104.3747 20421.3795 14512.9099 248.5138 -203119.2296 2578.7187 0.0000 0.0000 52016.9146 -109236.4184 298.9419 -161253.3329 -108877.6281 298.6996 -118.6751 -90.0369 762052.5853 -3.5211 -3.5714 PRESSURE: 1714200 -381.462 37.3848 -173.77 37.3847 -118.915 -104.979 -173.769 -104.979 -412.354 GPRESSURE: 1714200 -340.571 26.2746 -176.348 1.4283 -61.2733 -207.052 -47.8743 -260.974 -409.206 PRESSAVG: 1714200 -31.3648 2.97998 -51.328 2.97997 29.8716 -27.5658 -51.328 -27.5659 -8.47757 GPRESSAVG: 1714200 -30.8549 4.70924 -51.1821 1.52649 29.1891 -28.3979 -48.5857 -25.9121 -8.28872 TIMING: 1714200 CPU: 5356.05, 0.00315443/step Wall: 5356.05, 0.00315443/step, 2.87912 hours remaining, 235.082031 MB of memory in use. ENERGY: 1714200 3928.0422 20479.4542 14496.9312 257.1153 -203162.9793 2598.8112 0.0000 0.0000 52205.6909 -109196.9343 300.0268 -161402.6252 -108837.3348 298.9908 -304.2436 -270.3503 764115.1449 -3.3236 -3.3182 PRESSURE: 1714400 107.346 -31.5885 52.8996 -31.5887 -332.226 209.251 52.8979 209.252 50.2637 GPRESSURE: 1714400 199.366 38.7549 27.8437 -93.2645 -304.766 263.787 99.4217 175.122 7.38185 PRESSAVG: 1714400 -23.6161 -41.3243 12.4832 -41.3244 11.3194 35.1844 12.4832 35.1845 -6.08548 GPRESSAVG: 1714400 -24.3679 -40.2967 11.6598 -42.738 12.2138 33.1069 9.54556 34.9085 -6.12251 TIMING: 1714400 CPU: 5356.69, 0.0031534/step Wall: 5356.69, 0.0031534/step, 2.878 hours remaining, 235.082031 MB of memory in use. ENERGY: 1714400 4057.4216 20461.8350 14466.7848 233.3088 -203029.9273 2857.5192 0.0000 0.0000 52084.5140 -108868.5438 299.3304 -160953.0577 -108508.8673 298.9029 -58.2053 -32.6726 763485.4392 -6.1274 -6.0922 PRESSURE: 1714600 -106.909 -129.828 -128.368 -129.828 -45.4995 166.193 -128.368 166.193 -121.5 GPRESSURE: 1714600 -55.3295 -97.2592 -123.873 -169.555 7.43814 201.157 -170.695 135.089 -133.323 PRESSAVG: 1714600 -11.5922 24.2279 12.0124 24.2278 32.5474 80.2355 12.0124 80.2355 1.55998 GPRESSAVG: 1714600 -11.4241 22.3112 12.7157 24.4072 32.4515 81.4749 13.9209 80.6273 1.58679 TIMING: 1714600 CPU: 5357.31, 0.00314845/step Wall: 5357.31, 0.00314845/step, 2.87331 hours remaining, 235.082031 MB of memory in use. ENERGY: 1714600 3986.3791 20731.6455 14460.6890 252.2916 -203192.2321 2769.2099 0.0000 0.0000 51864.5367 -109127.4803 298.0662 -160992.0170 -108770.3038 299.4168 -91.3028 -60.4048 765127.1883 7.5051 7.5381 PRESSURE: 1714800 -106.791 114.281 60.0431 114.282 -184.923 -154.944 60.0436 -154.944 -268.284 GPRESSURE: 1714800 -155.965 -15.0751 -41.26 14.8794 -131.718 -97.7297 89.2639 -227.188 -190.724 PRESSAVG: 1714800 -62.7331 -3.70596 3.91766 -3.70596 60.9717 2.72445 3.91766 2.72438 10.4964 GPRESSAVG: 1714800 -63.7299 -2.02622 3.22547 -3.71289 61.2252 2.42436 2.81581 0.922662 11.206 TIMING: 1714800 CPU: 5357.95, 0.00315194/step Wall: 5357.95, 0.00315194/step, 2.87632 hours remaining, 235.082031 MB of memory in use. ENERGY: 1714800 3982.5118 20589.7047 14443.9132 252.8840 -203122.4061 2595.4913 0.0000 0.0000 52126.5594 -109131.3416 299.5721 -161257.9010 -108760.0929 298.8435 -186.6659 -159.4689 764399.8539 2.9116 2.9004 PRESSURE: 1715000 -256.38 -69.4991 -160.754 -69.4998 -201.291 115.384 -160.753 115.384 -77.4678 GPRESSURE: 1715000 -179.66 -111.636 -114.829 -77.5636 -176.653 122.57 -44.0321 195.311 -76.2919 PRESSAVG: 1715000 -12.7388 35.1813 -17.6616 35.1813 16.258 4.35681 -17.6616 4.35683 4.94985 GPRESSAVG: 1715000 -11.0036 34.8186 -17.5686 36.8111 14.2872 5.6767 -15.8263 5.73786 5.17471 TIMING: 1715000 CPU: 5358.57, 0.00314439/step Wall: 5358.57, 0.00314439/step, 2.86926 hours remaining, 235.082031 MB of memory in use. ENERGY: 1715000 3954.7933 20643.7480 14509.1969 235.9233 -203079.2816 2554.4181 0.0000 0.0000 51902.8412 -109278.3608 298.2863 -161181.2020 -108917.7281 298.8936 -178.3797 -144.2016 762955.5563 2.8230 2.8194 PRESSURE: 1715200 237.92 179.622 54.2196 179.621 -390.129 86.1399 54.219 86.1405 35.8061 GPRESSURE: 1715200 131.356 114.552 -30.2125 140.206 -236.431 59.0222 -135.422 183.302 57.8328 PRESSAVG: 1715200 58.3244 14.9583 -21.3122 14.9583 -51.9928 29.2634 -21.3122 29.2634 -6.95585 GPRESSAVG: 1715200 57.9188 13.1642 -22.0418 14.7368 -51.8726 29.6705 -23.3018 29.929 -6.97305 TIMING: 1715200 CPU: 5359.2, 0.0031374/step Wall: 5359.2, 0.0031374/step, 2.86271 hours remaining, 235.082031 MB of memory in use. ENERGY: 1715200 3906.5466 20529.5987 14432.2229 231.3704 -202944.1656 2545.6698 0.0000 0.0000 52094.1558 -109204.6013 299.3858 -161298.7571 -108840.4103 298.7471 -38.8012 -15.7477 762725.8300 -0.2081 -0.3090 PRESSURE: 1715400 66.4176 91.2606 91.1563 91.2596 332.46 -129.982 91.1568 -129.982 8.65331 GPRESSURE: 1715400 170.401 120.002 124.027 47.8468 415.125 -115.841 -42.3894 -109.685 -116.529 PRESSAVG: 1715400 -16.4612 22.9117 6.53204 22.9118 35.1668 5.25505 6.53202 5.25496 -2.50985 GPRESSAVG: 1715400 -15.9693 23.7018 8.45997 22.9977 35.8986 4.77635 5.65913 5.27707 -3.33151 TIMING: 1715400 CPU: 5359.83, 0.00313801/step Wall: 5359.83, 0.00313801/step, 2.86308 hours remaining, 235.082031 MB of memory in use. ENERGY: 1715400 3981.5298 20455.1880 14444.7692 258.5422 -202925.3158 2672.9614 0.0000 0.0000 52207.4038 -108904.9215 300.0367 -161112.3253 -108536.7084 299.5337 135.8438 156.3321 762722.2428 5.3986 5.5326 PRESSURE: 1715600 -221.934 -68.384 73.4109 -68.383 -286.798 111.886 73.4102 111.886 -201.893 GPRESSURE: 1715600 -175.602 1.13769 116.158 -70.6883 -250.084 88.154 131.535 200.084 -226.643 PRESSAVG: 1715600 -9.07988 3.27152 45.0892 3.27142 0.0026891 28.4822 45.0891 28.4821 2.62842 GPRESSAVG: 1715600 -9.13832 2.20781 42.8649 5.88459 0.842294 30.9533 45.8789 27.4083 1.94145 TIMING: 1715600 CPU: 5360.46, 0.00314275/step Wall: 5360.46, 0.00314274/step, 2.86723 hours remaining, 235.082031 MB of memory in use. ENERGY: 1715600 3940.6714 20678.7107 14483.5188 242.5267 -203014.6945 2555.7409 0.0000 0.0000 52157.7176 -108955.8084 299.7511 -161113.5260 -108601.6121 300.0502 -236.8749 -217.4429 760966.1617 -2.1496 -2.1182 PRESSURE: 1715800 166.392 -14.3105 -179.498 -14.3098 263.45 304.636 -179.498 304.637 -501.809 GPRESSURE: 1715800 59.6266 81.2569 -136.241 -86.5684 344.847 333.273 -117.59 318.749 -395.958 PRESSAVG: 1715800 -17.984 -39.6518 26.4175 -39.6517 20.2012 54.9728 26.4175 54.9728 -7.70313 GPRESSAVG: 1715800 -18.1879 -37.8105 27.9867 -40.7743 19.3457 52.6401 27.3462 55.7003 -6.78576 TIMING: 1715800 CPU: 5361.09, 0.00313629/step Wall: 5361.09, 0.00313629/step, 2.86117 hours remaining, 235.082031 MB of memory in use. ENERGY: 1715800 4008.6874 20719.8185 14528.0314 239.0104 -202899.1447 2622.2818 0.0000 0.0000 52113.9842 -108667.3311 299.4998 -160781.3153 -108315.6849 300.5355 -23.9889 2.8386 763871.4754 -1.8286 -1.8760 PRESSURE: 1716000 241.568 13.1609 252.256 13.1603 22.6876 -3.01036 252.256 -3.01065 90.8541 GPRESSURE: 1716000 246.652 79.7014 174.138 -0.637669 118.556 -65.2536 147.613 52.6527 75.2776 PRESSAVG: 1716000 20.2392 -22.2043 -16.1161 -22.2044 -54.0233 15.3851 -16.1161 15.3851 -14.0123 GPRESSAVG: 1716000 21.2242 -22.6647 -17.3959 -22.4444 -53.9726 15.324 -17.6203 16.2784 -14.9792 TIMING: 1716000 CPU: 5361.71, 0.00312495/step Wall: 5361.71, 0.00312495/step, 2.85065 hours remaining, 235.082031 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: 1716000 3953.2496 20734.9105 14517.4533 236.8578 -203166.9242 2750.5969 0.0000 0.0000 52088.0473 -108885.8089 299.3507 -160973.8562 -108543.0868 299.9072 118.3698 146.8284 762713.3809 -15.9321 -15.9092 PRESSURE: 1716200 145.537 -153.093 46.6691 -153.093 -162.195 -65.7176 46.669 -65.7179 86.2569 GPRESSURE: 1716200 124.454 -180.164 -47.0021 -145.071 -120.344 -32.3463 127.774 -17.4037 140.902 PRESSAVG: 1716200 55.3414 21.2103 10.8395 21.2103 -26.4138 -11.1554 10.8394 -11.1554 5.3891 GPRESSAVG: 1716200 54.2269 20.4213 12.1426 21.2908 -26.5649 -10.0632 10.6093 -12.509 6.75087 TIMING: 1716200 CPU: 5362.34, 0.00312853/step Wall: 5362.34, 0.00312853/step, 2.85374 hours remaining, 235.082031 MB of memory in use. ENERGY: 1716200 4085.7372 20548.9411 14507.8067 252.0049 -203373.0707 2887.4694 0.0000 0.0000 52199.0033 -108892.1080 299.9884 -161091.1113 -108535.3941 300.2947 23.1995 48.3376 760336.4747 11.4389 11.4710 LDB: ============= START OF LOAD BALANCING ============== 5374.81 LDB: ============== END OF LOAD BALANCING =============== 5374.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5374.82 LDB: ============= START OF LOAD BALANCING ============== 5375.13 LDB: Largest compute 6985 load 0.030087 is 15.4% of average load 0.195041 LDB: Average compute 0.004397 is 2.3% of average load 0.195041 LDB: TIME 5375.13 LOAD: AVG 0.195041 MAX 0.21729 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.312 MB LDB: TIME 5375.13 LOAD: AVG 0.195041 MAX 0.21729 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.312 MB LDB: TIME 5375.13 LOAD: AVG 0.195041 MAX 0.21729 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.312 MB LDB: ============== END OF LOAD BALANCING =============== 5375.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5375.14 PRESSURE: 1716400 86.5944 111.393 214.685 111.392 -306.564 255.566 214.686 255.565 -235.088 GPRESSURE: 1716400 108.924 56.5233 286.066 55.893 -201.937 270.778 143.607 139.859 -262.98 PRESSAVG: 1716400 32.3026 -11.2903 20.6064 -11.2904 -7.49601 14.9377 20.6063 14.9378 12.6186 GPRESSAVG: 1716400 32.6678 -9.338 19.3561 -13.0035 -6.78595 15.3952 20.7438 13.7034 11.1181 TIMING: 1716400 CPU: 5362.97, 0.00319152/step Wall: 5362.97, 0.00319152/step, 2.91102 hours remaining, 233.742188 MB of memory in use. ENERGY: 1716400 3927.4883 20449.3989 14502.6376 242.6417 -202780.1114 2476.0610 0.0000 0.0000 52167.6601 -109014.2237 299.8083 -161181.8839 -108637.1393 300.0137 -151.6862 -118.6641 760961.8290 12.4751 12.3333 PRESSURE: 1716600 307.767 47.1469 106.052 47.1475 -22.2727 5.30581 106.052 5.30561 -19.4685 GPRESSURE: 1716600 327.973 42.9313 47.2711 64.2117 -54.4337 -28.4125 43.8087 -10.9917 71.7234 PRESSAVG: 1716600 28.7167 16.6764 -17.3847 16.6764 -33.5984 6.48971 -17.3847 6.48972 -25.2489 GPRESSAVG: 1716600 27.9288 17.0384 -15.2688 19.3602 -35.0406 5.11927 -16.2461 6.95865 -22.6663 TIMING: 1716600 CPU: 5363.6, 0.00312241/step Wall: 5363.6, 0.00312241/step, 2.84781 hours remaining, 233.742188 MB of memory in use. ENERGY: 1716600 4054.6058 20607.6057 14518.5926 250.4302 -203127.4817 2615.1557 0.0000 0.0000 52164.9718 -108916.1201 299.7928 -161081.0919 -108556.3507 299.9521 88.6751 115.0877 761121.9189 -10.0435 -9.9261 PRESSURE: 1716800 362.094 97.1095 141.179 97.1083 -202.308 -107.055 141.177 -107.056 83.6195 GPRESSURE: 1716800 317.72 31.6621 53.0781 27.1713 -82.1421 -130.471 49.3639 -183.794 94.289 PRESSAVG: 1716800 61.2368 48.5947 33.5821 48.5948 -39.2846 -22.6567 33.5821 -22.6567 17.4982 GPRESSAVG: 1716800 62.8356 47.5987 32.214 47.6816 -40.1697 -23.753 32.8043 -21.3449 16.7999 TIMING: 1716800 CPU: 5364.22, 0.00313081/step Wall: 5364.22, 0.00313081/step, 2.8553 hours remaining, 233.742188 MB of memory in use. ENERGY: 1716800 3988.0122 20555.6471 14501.5648 242.0169 -202966.3809 2663.5160 0.0000 0.0000 52181.0719 -108834.5519 299.8853 -161015.6238 -108474.1721 300.1095 81.1354 109.9556 762893.1652 13.1501 13.1553 PRESSURE: 1717000 -431.771 -206.725 -47.8774 -206.724 -81.2731 93.1304 -47.8765 93.1307 -171.06 GPRESSURE: 1717000 -307.505 -242.479 -18.2282 -182.402 -92.637 83.1356 -26.4167 37.9695 -203.415 PRESSAVG: 1717000 19.1706 68.3057 8.89243 68.3057 2.78663 -3.66595 8.89245 -3.66601 21.7446 GPRESSAVG: 1717000 19.0267 68.1754 8.8813 67.0997 4.28275 -2.82907 10.2903 -5.04116 20.9496 TIMING: 1717000 CPU: 5364.85, 0.00312966/step Wall: 5364.85, 0.00312966/step, 2.85407 hours remaining, 233.742188 MB of memory in use. ENERGY: 1717000 4039.1335 20707.0247 14436.0904 247.4941 -203202.2896 2802.6557 0.0000 0.0000 52127.4329 -108842.4584 299.5771 -160969.8913 -108489.2274 300.2654 -228.0348 -201.1856 762208.1280 14.5673 14.7530 PRESSURE: 1717200 -489.889 72.2034 -350.532 72.2023 -113.599 -41.2439 -350.532 -41.2434 218.417 GPRESSURE: 1717200 -430.748 82.5334 -408.658 72.7067 -128.671 -78.1659 -244.233 82.572 251.966 PRESSAVG: 1717200 -19.8902 1.06005 -67.2127 1.06002 -8.30288 5.82298 -67.2127 5.82296 -35.9437 GPRESSAVG: 1717200 -20.396 0.999808 -70.293 3.08572 -8.20875 6.57832 -66.1556 7.33359 -35.4624 TIMING: 1717200 CPU: 5365.48, 0.00313618/step Wall: 5365.48, 0.00313618/step, 2.85985 hours remaining, 233.742188 MB of memory in use. ENERGY: 1717200 4042.6521 20524.0295 14515.6891 251.3907 -203277.9002 2549.9239 0.0000 0.0000 52155.1355 -109239.0794 299.7363 -161394.2149 -108867.5400 299.2527 -128.3570 -102.4847 762405.9198 -21.3789 -21.3557 PRESSURE: 1717400 -373.63 -227.126 -83.27 -227.126 -306.658 -89.9381 -83.2693 -89.9388 17.2571 GPRESSURE: 1717400 -252.415 -145.513 -44.9171 -217.445 -332.028 -152.198 -90.897 -106.441 2.56672 PRESSAVG: 1717400 -16.2866 26.2544 -9.80474 26.2544 3.20838 18.1017 -9.80472 18.1016 2.16597 GPRESSAVG: 1717400 -16.4477 26.8856 -6.79257 25.4005 2.50098 17.7162 -13.1159 16.8268 2.37003 TIMING: 1717400 CPU: 5366.1, 0.00311988/step Wall: 5366.1, 0.00311988/step, 2.84481 hours remaining, 233.742188 MB of memory in use. ENERGY: 1717400 4005.5883 20511.2815 14476.4257 256.0658 -203148.3255 2388.0311 0.0000 0.0000 52123.6710 -109387.2620 299.5555 -161510.9331 -109023.8068 299.0747 -221.0106 -193.9589 761979.5333 -3.6374 -3.8589 PRESSURE: 1717600 166.788 -55.6146 63.6628 -55.6139 -118.049 -49.6513 63.6628 -49.6513 -67.5585 GPRESSURE: 1717600 200.455 22.3537 32.7724 -36.7637 -106.144 -38.1079 48.3948 -17.2556 -20.6962 PRESSAVG: 1717600 -29.703 -6.85625 -29.5307 -6.85624 11.4539 44.7502 -29.5307 44.7501 4.32122 GPRESSAVG: 1717600 -29.7896 -8.21998 -30.8664 -5.28819 12.0016 43.0633 -26.8962 45.1208 4.15403 TIMING: 1717600 CPU: 5366.72, 0.00311067/step Wall: 5366.72, 0.00311067/step, 2.83624 hours remaining, 233.742188 MB of memory in use. ENERGY: 1717600 3940.7514 20532.0678 14446.6667 240.1064 -203298.0866 2802.1192 0.0000 0.0000 51938.5899 -109397.7852 298.4918 -161336.3751 -109033.8660 298.9299 -6.2732 24.5384 763387.5610 -4.6427 -4.5446 PRESSURE: 1717800 196.813 82.5438 33.665 82.5445 104.019 -31.4385 33.665 -31.4375 -321.191 GPRESSURE: 1717800 146.34 155.451 -56.9114 84.0265 187.717 33.151 -63.6122 4.45298 -270.762 PRESSAVG: 1717800 -26.7213 -21.0388 5.2561 -21.0388 11.8159 79.007 5.25612 79.007 30.239 GPRESSAVG: 1717800 -26.2706 -19.6979 4.82431 -23.0755 11.6559 80.3425 5.219 78.7194 30.1543 TIMING: 1717800 CPU: 5367.35, 0.00312027/step Wall: 5367.35, 0.00312027/step, 2.84482 hours remaining, 233.742188 MB of memory in use. ENERGY: 1717800 4003.4629 20350.5780 14444.2174 223.2259 -203182.5235 2829.3509 0.0000 0.0000 51927.9425 -109403.7458 298.4306 -161331.6883 -109039.3904 298.4353 -6.7865 21.0982 761673.3796 5.1112 5.1799 PRESSURE: 1718000 -392.227 162.566 -140.043 162.566 3.15574 13.6465 -140.042 13.6461 -450.586 GPRESSURE: 1718000 -340.701 44.191 -124.392 32.678 79.4876 4.31705 10.7572 -92.2991 -477.989 PRESSAVG: 1718000 -54.183 5.3424 -53.4566 5.34233 26.0011 23.9382 -53.4566 23.9381 22.8613 GPRESSAVG: 1718000 -54.2738 4.157 -51.8437 7.15004 25.2467 24.0325 -56.3183 21.839 24.0745 TIMING: 1718000 CPU: 5367.97, 0.00312788/step Wall: 5367.97, 0.00312788/step, 2.85159 hours remaining, 233.742188 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: 1718000 3956.9000 20356.8213 14389.5303 236.8173 -203406.2065 2693.3645 0.0000 0.0000 52327.3340 -109445.4391 300.7259 -161772.7731 -109078.0044 298.5343 -279.8857 -246.4007 761340.0046 -1.7735 -1.6509 PRESSURE: 1718200 114.399 40.9154 58.8548 40.9151 -13.0694 160.867 58.8543 160.867 -142.065 GPRESSURE: 1718200 165.478 67.3451 58.087 60.9984 61.2926 105.597 -23.703 236.386 -173.442 PRESSAVG: 1718200 11.3347 -29.2867 -33.9047 -29.2866 -26.2637 -78.1885 -33.9047 -78.1885 -0.330257 GPRESSAVG: 1718200 11.0238 -29.3723 -34.473 -30.1589 -24.9686 -79.0625 -31.1092 -75.2549 -1.20719 TIMING: 1718200 CPU: 5368.6, 0.00312737/step Wall: 5368.6, 0.00312737/step, 2.85095 hours remaining, 233.742188 MB of memory in use. ENERGY: 1718200 3953.0853 20420.7910 14504.6974 227.7014 -202852.4614 2402.7980 0.0000 0.0000 52079.0862 -109264.3021 299.2992 -161343.3882 -108897.7548 298.9289 -13.5785 17.7764 761834.6999 -5.0864 -5.0507 PRESSURE: 1718400 -179.631 -101.561 -139.452 -101.561 -82.8692 40.6997 -139.453 40.6992 -153.519 GPRESSURE: 1718400 -135.889 21.1668 -74.3231 -2.7546 -109.791 73.7549 -111.019 47.8756 -93.4059 PRESSAVG: 1718400 -20.2573 0.11412 -27.4581 0.114155 80.2099 -3.11135 -27.4581 -3.1113 -13.233 GPRESSAVG: 1718400 -19.8892 -0.0462141 -27.7162 2.41728 79.9609 -3.7534 -29.6254 -3.25672 -13.4978 TIMING: 1718400 CPU: 5369.22, 0.00312735/step Wall: 5369.22, 0.00312735/step, 2.85075 hours remaining, 233.742188 MB of memory in use. ENERGY: 1718400 4021.4895 20452.8316 14452.5861 248.3158 -202966.9839 2636.5194 0.0000 0.0000 51657.4722 -109497.7693 296.8762 -161155.2415 -109144.0315 298.5796 -138.6731 -113.0288 762061.0436 15.5732 15.5246 PRESSURE: 1718600 -89.9615 -252.221 -194.271 -252.221 171.314 78.6066 -194.27 78.607 32.7053 GPRESSURE: 1718600 1.95446 -196.974 -202.884 -191.956 198.131 81.0272 -166.283 -1.32294 2.55352 PRESSAVG: 1718600 -19.4043 -36.7142 -80.1596 -36.7142 59.1445 4.65529 -80.1596 4.65533 21.4114 GPRESSAVG: 1718600 -18.8271 -34.2761 -80.304 -37.2283 58.438 4.83097 -79.4027 3.31741 21.8881 TIMING: 1718600 CPU: 5369.85, 0.00313029/step Wall: 5369.85, 0.00313029/step, 2.85326 hours remaining, 233.742188 MB of memory in use. ENERGY: 1718600 3981.6372 20508.5765 14434.0237 252.2232 -203246.5303 2644.0433 0.0000 0.0000 51892.8873 -109533.1390 298.2291 -161426.0264 -109180.0764 298.4845 38.0194 67.5464 759948.6255 20.3839 20.4997 PRESSURE: 1718800 -177.722 -87.3092 109.379 -87.3092 268.294 -226.276 109.38 -226.275 -105.387 GPRESSURE: 1718800 -126.107 -71.7415 155.684 -133.517 364.661 -290.497 102.926 -109.635 -161.013 PRESSAVG: 1718800 -50.1242 -15.4655 -48.4416 -15.4656 7.25049 -32.5617 -48.4416 -32.5617 -5.9383 GPRESSAVG: 1718800 -51.2375 -14.9131 -47.5502 -18.7988 8.2862 -31.2168 -49.394 -31.1943 -5.30585 TIMING: 1718800 CPU: 5370.48, 0.00313714/step Wall: 5370.48, 0.00313714/step, 2.85932 hours remaining, 233.742188 MB of memory in use. ENERGY: 1718800 3947.9747 20290.3737 14479.3211 256.3384 -203241.4708 2798.1505 0.0000 0.0000 52018.8139 -109450.4987 298.9528 -161469.3126 -109080.2704 298.1930 -4.9383 25.8468 761306.1060 -16.2707 -16.0857 PRESSURE: 1719000 72.5532 -170.904 -9.82029 -170.906 67.405 132.228 -9.82081 132.229 -84.1598 GPRESSURE: 1719000 158.632 -155.178 42.9108 -166.164 33.8175 156.447 -54.7013 32.2949 -48.3117 PRESSAVG: 1719000 -74.6495 11.4335 -6.52638 11.4335 76.9465 5.35307 -6.52635 5.35301 12.9669 GPRESSAVG: 1719000 -74.748 11.2639 -7.68853 13.4221 77.5758 4.52075 -4.83741 5.23875 12.4497 TIMING: 1719000 CPU: 5371.11, 0.00314535/step Wall: 5371.11, 0.00314535/step, 2.86664 hours remaining, 233.742188 MB of memory in use. ENERGY: 1719000 3895.2577 20240.4873 14449.1244 224.7702 -203048.8671 2602.9489 0.0000 0.0000 52127.1342 -109509.1445 299.5754 -161636.2787 -109147.4021 297.7186 18.5995 48.0460 761443.9841 5.0880 5.0925 PRESSURE: 1719200 -57.6223 112.958 -164.759 112.957 166.162 16.0132 -164.759 16.0143 439.516 GPRESSURE: 1719200 41.0463 52.4397 -129.303 186.743 114.941 5.04438 -228.503 -68.7922 485.921 PRESSAVG: 1719200 33.2073 15.4961 -16.0507 15.4961 9.85603 -4.86001 -16.0507 -4.85999 2.87881 GPRESSAVG: 1719200 33.1476 12.9039 -17.1527 14.9385 9.42432 -3.32515 -14.5278 -6.86477 3.01661 TIMING: 1719200 CPU: 5371.73, 0.00313883/step Wall: 5371.73, 0.00313883/step, 2.86052 hours remaining, 233.742188 MB of memory in use. ENERGY: 1719200 3961.3341 20379.2170 14437.4251 265.3935 -202628.1949 2361.9975 0.0000 0.0000 51967.0999 -109255.7279 298.6556 -161222.8278 -108901.8254 298.6090 182.6853 213.9694 761285.8912 15.3140 15.1962 PRESSURE: 1719400 -6.9018 84.1612 163.151 84.1618 89.1036 10.3141 163.151 10.3137 80.2268 GPRESSURE: 1719400 10.0364 116.963 133.787 57.7927 123.812 -53.3329 132.761 56.3383 113.55 PRESSAVG: 1719400 -55.777 -13.9236 -9.97515 -13.9236 45.811 -40.6707 -9.97514 -40.6707 5.12572 GPRESSAVG: 1719400 -54.4818 -12.315 -8.4909 -13.1046 45.0073 -41.9581 -11.9867 -38.5671 5.20434 TIMING: 1719400 CPU: 5372.36, 0.00313787/step Wall: 5372.36, 0.00313787/step, 2.85947 hours remaining, 233.742188 MB of memory in use. ENERGY: 1719400 3976.3194 20422.3979 14446.1500 273.8610 -203118.1159 2701.0047 0.0000 0.0000 52048.6966 -109249.6864 299.1246 -161298.3829 -108897.0376 298.6465 54.1429 82.4662 762357.4987 -1.6134 -1.4234 PRESSURE: 1719600 -300.637 54.091 -216.479 54.0915 -465.04 20.4122 -216.48 20.4121 -92.7335 GPRESSURE: 1719600 -202.452 -11.9337 -198.641 115.85 -441.621 -44.0319 -120.849 86.4561 -118.054 PRESSAVG: 1719600 0.474205 -21.9411 -24.5442 -21.9411 9.94605 58.8393 -24.5442 58.8393 -10.7255 GPRESSAVG: 1719600 -1.17823 -22.3559 -25.3174 -22.264 11.1583 58.0215 -23.4929 58.2055 -10.9808 TIMING: 1719600 CPU: 5372.99, 0.00313909/step Wall: 5372.99, 0.00313909/step, 2.86041 hours remaining, 233.742188 MB of memory in use. ENERGY: 1719600 3983.3612 20576.3416 14410.3017 249.1033 -202836.9236 2399.6296 0.0000 0.0000 52027.6005 -109190.5857 299.0033 -161218.1862 -108831.5411 298.8908 -286.1369 -254.0421 764019.8198 -0.1017 -0.3336 PRESSURE: 1719800 -64.8873 49.2424 -132.982 49.2416 -46.7925 -21.5241 -132.983 -21.5236 -90.0189 GPRESSURE: 1719800 -79.308 -49.6392 -129.682 126.233 29.2553 -22.3006 -144.558 -37.582 -68.9893 PRESSAVG: 1719800 -39.6094 -16.9249 -44.0395 -16.9248 31.5216 19.963 -44.0395 19.963 16.6695 GPRESSAVG: 1719800 -37.827 -16.443 -42.1274 -18.2359 31.372 20.1521 -42.8159 19.0242 15.3523 TIMING: 1719800 CPU: 5373.62, 0.00313288/step Wall: 5373.62, 0.00313288/step, 2.85457 hours remaining, 233.742188 MB of memory in use. ENERGY: 1719800 4019.4400 20321.8551 14512.0546 244.1879 -202797.1536 2477.6371 0.0000 0.0000 52132.9790 -109089.0000 299.6089 -161221.9790 -108726.1561 299.3756 -67.2329 -39.6807 763355.6983 2.8606 2.9658 PRESSURE: 1720000 75.134 274.106 71.0725 274.107 -17.0185 -132.469 71.0728 -132.469 302.268 GPRESSURE: 1720000 62.8934 442.836 139.932 173.708 88.3143 -109.71 38.6548 -105.385 276.361 PRESSAVG: 1720000 -18.918 37.7165 -9.26462 37.7165 -10.2009 -22.0611 -9.26461 -22.0611 0.503257 GPRESSAVG: 1720000 -20.7617 38.1138 -11.7285 36.7781 -10.3425 -19.9086 -12.1699 -22.0458 3.1344 TIMING: 1720000 CPU: 5374.25, 0.00315767/step Wall: 5374.25, 0.00315767/step, 2.87699 hours remaining, 233.742188 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: 1720000 4028.2413 20424.7787 14526.7775 242.5295 -203261.6526 2918.9707 0.0000 0.0000 52096.3189 -109024.0360 299.3983 -161120.3549 -108665.2685 299.1471 120.1277 142.5229 763335.0442 -9.5386 -9.3233 PRESSURE: 1720200 174.938 3.0927 -133.218 3.093 166.067 45.0769 -133.217 45.0768 -281.961 GPRESSURE: 1720200 121.213 -110.836 -98.2449 53.1403 240.717 20.9855 -29.6343 103.767 -219.385 PRESSAVG: 1720200 26.736 11.6687 26.9695 11.6687 -25.5073 -41.7984 26.9696 -41.7984 -3.79261 GPRESSAVG: 1720200 27.0262 12.313 27.6856 13.5477 -25.5761 -43.2233 29.5815 -41.7757 -4.44036 TIMING: 1720200 CPU: 5374.88, 0.00315292/step Wall: 5374.88, 0.00315292/step, 2.87249 hours remaining, 233.742188 MB of memory in use. ENERGY: 1720200 3968.5756 20485.8370 14449.5692 224.9786 -203082.2073 2817.0568 0.0000 0.0000 52151.1617 -108985.0284 299.7134 -161136.1901 -108624.3516 299.5387 19.6813 47.5150 761683.8821 -0.8546 -0.9967 LDB: ============= START OF LOAD BALANCING ============== 5387.36 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5387.36 LDB: =============== DONE WITH MIGRATION ================ 5387.36 LDB: ============= START OF LOAD BALANCING ============== 5387.67 LDB: Largest compute 6985 load 0.030021 is 15.4% of average load 0.195026 LDB: Average compute 0.004403 is 2.3% of average load 0.195026 LDB: TIME 5387.68 LOAD: AVG 0.195026 MAX 0.213262 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.23 MB LDB: TIME 5387.68 LOAD: AVG 0.195026 MAX 0.213262 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.23 MB LDB: TIME 5387.68 LOAD: AVG 0.195026 MAX 0.213262 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.23 MB LDB: ============== END OF LOAD BALANCING =============== 5387.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5387.68 PRESSURE: 1720400 44.3039 88.1996 -118.712 88.1982 -340.239 -52.4422 -118.712 -52.442 -183.622 GPRESSURE: 1720400 -65.5273 119.758 -106.264 97.4444 -235.149 -50.1568 5.5932 64.6162 -110.789 PRESSAVG: 1720400 1.51942 -2.89482 -21.0409 -2.89483 23.5259 -26.8818 -21.041 -26.8818 23.9647 GPRESSAVG: 1720400 2.50169 -2.53988 -21.212 -4.49135 23.1895 -27.0074 -21.6295 -24.8652 23.2742 TIMING: 1720400 CPU: 5375.52, 0.00319837/step Wall: 5375.52, 0.00319837/step, 2.91372 hours remaining, 235.023438 MB of memory in use. ENERGY: 1720400 4038.3820 20433.2676 14457.2375 264.5501 -203105.7676 2712.2077 0.0000 0.0000 52035.3800 -109164.7426 299.0480 -161200.1226 -108808.7452 299.3682 -159.8524 -137.1552 763530.2423 16.3367 16.3218 PRESSURE: 1720600 -91.534 201.711 -107.072 201.71 -162.149 209.525 -107.073 209.527 76.1335 GPRESSURE: 1720600 -92.6796 215.28 -59.1223 174.231 -118.915 142.72 -165.806 -12.2244 107.512 PRESSAVG: 1720600 6.1526 21.0603 6.66457 21.0602 37.2238 46.3342 6.66456 46.3342 -24.7851 GPRESSAVG: 1720600 5.46497 18.3179 7.12472 23.6385 37.8613 46.6785 5.87699 43.1941 -25.2494 TIMING: 1720600 CPU: 5376.15, 0.00313897/step Wall: 5376.15, 0.00313897/step, 2.85943 hours remaining, 235.222656 MB of memory in use. ENERGY: 1720600 3943.1761 20431.6112 14464.0161 253.5020 -202948.1251 2448.6691 0.0000 0.0000 52322.1695 -109084.9811 300.6962 -161407.1506 -108712.2809 299.0407 -59.1833 -34.6939 762587.8266 6.1971 6.0256 PRESSURE: 1720800 75.5755 -23.3533 -164.075 -23.3531 -13.3571 -174.808 -164.075 -174.807 -22.3792 GPRESSURE: 1720800 138.518 0.54702 2.65559 -57.4214 -23.4826 -174.021 -220.791 -88.0266 4.23764 PRESSAVG: 1720800 63.8829 30.6242 -72.2571 30.6243 -68.7381 -33.6871 -72.257 -33.6871 -10.217 GPRESSAVG: 1720800 64.1578 31.3757 -72.7617 31.7613 -68.7331 -33.4671 -70.2019 -32.7368 -10.423 TIMING: 1720800 CPU: 5376.77, 0.0031196/step Wall: 5376.77, 0.0031196/step, 2.84161 hours remaining, 235.222656 MB of memory in use. ENERGY: 1720800 4028.9516 20551.6668 14503.5687 286.9183 -202919.0558 2517.2633 0.0000 0.0000 51936.5055 -109094.1815 298.4798 -161030.6870 -108735.9690 299.2185 13.2797 39.7577 762357.3145 -5.0241 -4.9994 PRESSURE: 1721000 162.194 -98.7161 -145.738 -98.7167 238.79 -31.3316 -145.738 -31.3317 356.68 GPRESSURE: 1721000 114.486 -6.43684 -143.023 -71.7147 237.118 -27.3868 -59.5021 -102.324 480.304 PRESSAVG: 1721000 48.4648 36.5719 -12.5112 36.5719 -26.2751 -2.31477 -12.5113 -2.31467 10.2903 GPRESSAVG: 1721000 50.2408 37.4954 -13.3318 34.8478 -28.4077 -4.03273 -12.8745 -1.62949 10.7599 TIMING: 1721000 CPU: 5377.39, 0.00311829/step Wall: 5377.39, 0.00311829/step, 2.84025 hours remaining, 235.222656 MB of memory in use. ENERGY: 1721000 3930.1770 20619.1643 14515.2262 238.4338 -202926.1520 2516.9690 0.0000 0.0000 52104.3189 -109001.8628 299.4442 -161106.1817 -108638.3115 299.6521 252.5551 277.3028 760397.2868 10.8267 10.8643 PRESSURE: 1721200 30.6226 -10.9756 18.0725 -10.9753 -271.943 -237.387 18.0737 -237.387 46.1554 GPRESSURE: 1721200 164.588 -64.9899 -29.1126 -88.7823 -259.224 -159.385 -57.5392 -248.624 -29.3688 PRESSAVG: 1721200 40.3033 -33.6342 -24.0364 -33.6342 -29.7486 -15.6211 -24.0363 -15.6212 -4.25585 GPRESSAVG: 1721200 39.2601 -33.906 -21.895 -34.0686 -29.2433 -13.2726 -25.2727 -17.6305 -4.21757 TIMING: 1721200 CPU: 5378.02, 0.00312975/step Wall: 5378.02, 0.00312975/step, 2.85051 hours remaining, 235.222656 MB of memory in use. ENERGY: 1721200 3966.3786 20481.3211 14418.2324 230.6298 -202903.1925 2386.0741 0.0000 0.0000 52214.6491 -109205.9073 300.0783 -161420.5564 -108837.2405 299.5305 -65.0549 -41.3346 761446.6650 2.0996 1.9331 PRESSURE: 1721400 -747.447 -80.7053 220.559 -80.704 232.968 -70.5144 220.559 -70.5147 -6.74336 GPRESSURE: 1721400 -676.768 11.5957 155.283 -197.057 202.241 -111.086 89.5096 -140.705 34.5419 PRESSAVG: 1721400 69.1323 -62.1877 -28.4514 -62.1878 -42.6891 -23.1064 -28.4514 -23.1064 -20.6018 GPRESSAVG: 1721400 69.2065 -62.0483 -30.1197 -61.2638 -42.644 -23.8753 -27.713 -21.2166 -20.9894 TIMING: 1721400 CPU: 5378.65, 0.00313657/step Wall: 5378.65, 0.00313657/step, 2.85654 hours remaining, 235.222656 MB of memory in use. ENERGY: 1721400 3995.7414 20467.4865 14410.8098 251.0799 -203168.8316 2646.2017 0.0000 0.0000 52129.7138 -109267.7985 299.5902 -161397.5123 -108907.1391 299.1213 -173.7409 -146.6616 760067.4093 1.9472 1.8577 PRESSURE: 1721600 -234.086 -120.797 25.0464 -120.797 -178.051 62.4079 25.0464 62.4085 -185.535 GPRESSURE: 1721600 -185.386 -15.6317 -72.942 -166.669 -157.679 48.1655 102.965 -32.0363 -148.077 PRESSAVG: 1721600 31.1158 -33.7042 7.35779 -33.7042 -13.3541 32.6545 7.35777 32.6545 3.04962 GPRESSAVG: 1721600 30.0957 -33.087 8.36301 -34.5025 -12.5548 32.1984 6.43696 31.598 3.10356 TIMING: 1721600 CPU: 5379.27, 0.00311227/step Wall: 5379.27, 0.00311227/step, 2.83424 hours remaining, 235.222656 MB of memory in use. ENERGY: 1721600 4040.3669 20662.1193 14360.1531 240.0588 -202756.3870 2263.5355 0.0000 0.0000 52013.7547 -109176.3987 298.9238 -161190.1534 -108805.0237 299.1710 -199.2237 -163.7141 761322.6310 6.9371 6.8815 PRESSURE: 1721800 313.639 -72.2987 -103.966 -72.2987 145.505 35.8749 -103.967 35.8747 188.675 GPRESSURE: 1721800 306.549 -54.9646 -69.2126 -146.986 147.12 -32.974 -178.59 5.58557 269.959 PRESSAVG: 1721800 -48.8116 -16.1817 50.5585 -16.1816 -25.9745 -8.76426 50.5585 -8.76422 14.2967 GPRESSAVG: 1721800 -48.5585 -18.3411 46.7639 -16.358 -27.599 -8.72655 52.125 -10.5666 15.6467 TIMING: 1721800 CPU: 5379.9, 0.00312688/step Wall: 5379.9, 0.00312688/step, 2.84737 hours remaining, 235.222656 MB of memory in use. ENERGY: 1721800 4033.2408 20516.8220 14412.3225 241.2220 -203365.4003 2805.4773 0.0000 0.0000 52101.2325 -109255.0831 299.4265 -161356.3157 -108893.8183 299.2782 215.9396 241.2092 762236.9866 -20.1631 -20.1703 PRESSURE: 1722000 292.623 30.1639 -295.686 30.1642 -92.687 123.916 -295.686 123.917 69.1768 GPRESSURE: 1722000 308.021 80.0061 -348.465 175.262 -22.4545 78.8286 -217.166 192.749 80.0122 PRESSAVG: 1722000 14.7479 -34.2773 -41.3218 -34.2772 -2.41489 6.21034 -41.3218 6.21042 11.906 GPRESSAVG: 1722000 14.2002 -32.8351 -37.7522 -34.4005 -0.747551 5.91301 -41.4968 8.97984 11.481 TIMING: 1722000 CPU: 5380.52, 0.00313108/step Wall: 5380.52, 0.00313108/step, 2.85102 hours remaining, 235.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1722000 3937.3408 20555.7196 14509.4848 263.3051 -202722.5238 2498.1051 0.0000 0.0000 51967.2855 -108991.2830 298.6567 -160958.5685 -108631.1087 299.4938 89.7043 121.8594 761526.8156 8.0796 8.3112 PRESSURE: 1722200 -222.057 100.427 -27.972 100.427 31.3013 -75.7886 -27.9715 -75.7874 321.769 GPRESSURE: 1722200 -188.956 119.866 80.7921 -3.765 78.5232 -88.5572 -169.127 -147.619 315.713 PRESSAVG: 1722200 -14.1103 10.9222 -57.0903 10.9221 -14.7937 -12.3525 -57.0903 -12.3525 -4.9658 GPRESSAVG: 1722200 -12.8476 10.3825 -56.2092 11.5356 -15.6433 -12.0849 -56.6874 -13.2511 -5.61572 TIMING: 1722200 CPU: 5381.15, 0.00314927/step Wall: 5381.15, 0.00314927/step, 2.86741 hours remaining, 235.222656 MB of memory in use. ENERGY: 1722200 4019.7799 20547.6656 14434.8984 241.7302 -202866.3247 2573.6507 0.0000 0.0000 51894.4469 -109154.1532 298.2381 -161048.6001 -108801.6374 299.2585 43.6713 68.4266 762272.8581 -11.2900 -11.3689 PRESSURE: 1722400 125.622 194.769 -11.3339 194.769 170.216 69.1223 -11.3339 69.1221 105.888 GPRESSURE: 1722400 42.2725 63.8641 -33.8025 253.167 258.643 101.081 -74.6509 116.811 196.637 PRESSAVG: 1722400 -60.8069 31.3079 -22.4568 31.3079 -5.36147 14.2097 -22.4568 14.2098 4.72975 GPRESSAVG: 1722400 -61.7374 30.3515 -24.0482 31.0388 -5.05462 14.4492 -24.0132 14.4697 6.13956 TIMING: 1722400 CPU: 5381.78, 0.00312419/step Wall: 5381.78, 0.00312419/step, 2.8444 hours remaining, 235.222656 MB of memory in use. ENERGY: 1722400 3970.8887 20594.1073 14440.5697 235.5053 -203075.6257 2629.6164 0.0000 0.0000 52093.6273 -109111.3111 299.3828 -161204.9384 -108756.2971 299.5591 133.9088 165.8506 762624.7505 -20.4795 -20.2175 PRESSURE: 1722600 -259.652 42.6586 159.364 42.6585 124.964 -220.899 159.364 -220.899 -77.0355 GPRESSURE: 1722600 -313.651 123.204 93.83 -2.30605 176.635 -238.359 67.4857 -130.396 -5.51406 PRESSAVG: 1722600 2.39739 34.0982 18.4869 34.0982 10.0211 28.7346 18.4869 28.7346 -4.06728 GPRESSAVG: 1722600 2.71887 35.508 19.3334 34.3999 10.1778 28.533 19.851 29.7112 -4.65917 TIMING: 1722600 CPU: 5382.41, 0.00315016/step Wall: 5382.41, 0.00315016/step, 2.86787 hours remaining, 235.222656 MB of memory in use. ENERGY: 1722600 3980.5862 20522.4668 14414.2049 275.9078 -203082.2494 2594.2851 0.0000 0.0000 52109.5147 -109185.2838 299.4741 -161294.7985 -108820.2009 299.6701 -70.5748 -47.5101 762217.1823 2.7837 2.7458 PRESSURE: 1722800 143.301 -33.9527 -292.117 -33.9516 -12.4984 0.325576 -292.116 0.325237 265.822 GPRESSURE: 1722800 217.334 -37.7714 -271.136 -67.7343 82.309 -32.9419 -158.69 64.2585 196.93 PRESSAVG: 1722800 27.7964 33.3301 -6.65297 33.3301 -16.7857 18.8707 -6.65293 18.8706 -9.63784 GPRESSAVG: 1722800 27.1087 33.4767 -6.71841 31.6538 -16.4253 18.591 -5.538 19.3678 -9.3615 TIMING: 1722800 CPU: 5383.03, 0.0031358/step Wall: 5383.03, 0.0031358/step, 2.85462 hours remaining, 235.222656 MB of memory in use. ENERGY: 1722800 3961.5983 20443.6464 14515.4040 256.1339 -203038.6205 2637.5443 0.0000 0.0000 51912.5879 -109311.7057 298.3424 -161224.2936 -108960.8988 299.3465 132.2081 165.5244 761463.4944 0.4576 0.4406 PRESSURE: 1723000 -228.233 -154.025 -38.526 -154.026 283.639 140.146 -38.5265 140.145 117.353 GPRESSURE: 1723000 -137.845 -195.936 -41.9139 -73.5066 201.202 185.366 44.9938 43.5076 170.352 PRESSAVG: 1723000 -23.174 -5.17909 -17.5077 -5.17908 -21.1266 22.3564 -17.5077 22.3564 9.60526 GPRESSAVG: 1723000 -21.2522 -4.5895 -17.3924 -5.54428 -22.2833 22.8556 -19.1763 19.5591 8.41451 TIMING: 1723000 CPU: 5383.66, 0.00314011/step Wall: 5383.66, 0.00314011/step, 2.85837 hours remaining, 235.222656 MB of memory in use. ENERGY: 1723000 3957.6254 20574.8089 14468.2810 251.7522 -203674.7228 2989.4500 0.0000 0.0000 52075.8839 -109356.9214 299.2808 -161432.8053 -108992.0973 298.7691 57.5864 77.9028 762354.9330 -11.5651 -11.7070 PRESSURE: 1723200 -170.583 -92.6794 -125.441 -92.6801 135.306 -17.9328 -125.44 -17.9316 162.953 GPRESSURE: 1723200 -134.498 -148.809 -114.203 25.0992 211.579 -30.4597 -129.332 30.9463 149.668 PRESSAVG: 1723200 -17.6704 3.0947 -34.0787 3.09465 -2.69746 60.3437 -34.0787 60.3437 -14.4472 GPRESSAVG: 1723200 -18.8417 2.13219 -32.9221 3.25132 -2.13325 60.6107 -34.0503 62.0541 -13.8639 TIMING: 1723200 CPU: 5384.29, 0.00314349/step Wall: 5384.29, 0.00314349/step, 2.86127 hours remaining, 235.222656 MB of memory in use. ENERGY: 1723200 3977.0519 20478.9097 14508.4553 271.7398 -203788.8437 2999.0702 0.0000 0.0000 52145.3851 -109408.2317 299.6802 -161553.6168 -109043.6881 299.1457 42.5589 75.5828 762421.2018 -11.6050 -11.6129 PRESSURE: 1723400 -133.914 -92.3835 -68.6732 -92.3837 -22.9815 96.8715 -68.6727 96.8709 -19.2295 GPRESSURE: 1723400 -159.047 -82.5896 38.1365 -106.886 -0.986206 102.394 -227.942 119.524 28.5342 PRESSAVG: 1723400 -24.0118 9.08589 -71.6201 9.08598 16.6108 -28.5948 -71.6201 -28.5948 -29.7593 GPRESSAVG: 1723400 -22.7454 8.27677 -72.3724 9.84577 15.3766 -29.4952 -70.4619 -26.9961 -29.3619 TIMING: 1723400 CPU: 5384.92, 0.0031449/step Wall: 5384.92, 0.0031449/step, 2.86239 hours remaining, 235.222656 MB of memory in use. ENERGY: 1723400 3988.7849 20426.9387 14409.3229 260.3840 -203461.6020 2704.6939 0.0000 0.0000 52038.3052 -109633.1723 299.0649 -161671.4775 -109261.9459 298.9034 -58.7084 -43.8331 762935.3535 -12.3868 -12.2436 PRESSURE: 1723600 -178.978 -210.742 158.055 -210.74 74.6422 -0.917972 158.054 -0.918914 143.269 GPRESSURE: 1723600 -33.075 -179.394 230.764 -49.1447 5.58427 111.219 226.983 34.8808 154.649 PRESSAVG: 1723600 15.7052 37.6047 28.0266 37.6048 4.806 21.4487 28.0266 21.4486 -4.68331 GPRESSAVG: 1723600 15.5415 38.9954 27.6492 37.9822 5.47468 23.0836 28.6703 20.9558 -5.49917 TIMING: 1723600 CPU: 5385.55, 0.00314429/step Wall: 5385.55, 0.00314429/step, 2.86165 hours remaining, 235.222656 MB of memory in use. ENERGY: 1723600 3968.7381 20517.5378 14447.3656 248.5348 -203380.0684 2768.2824 0.0000 0.0000 51913.2810 -109516.3287 298.3463 -161429.6097 -109157.6138 298.5634 12.9778 42.3861 761946.9714 5.2760 5.1723 PRESSURE: 1723800 80.0941 9.9381 100.002 9.93837 208.704 66.1302 100.002 66.1307 101.204 GPRESSURE: 1723800 128.996 78.1404 93.1041 57.2436 247.687 79.2245 51.5281 -119.801 115.337 PRESSAVG: 1723800 -32.4945 -55.8533 26.3729 -55.8533 58.9207 -5.04905 26.3729 -5.04897 -17.2381 GPRESSAVG: 1723800 -32.8187 -57.0473 25.986 -55.5811 58.5941 -5.99051 22.981 -5.13206 -16.6368 TIMING: 1723800 CPU: 5386.18, 0.00314582/step Wall: 5386.18, 0.00314582/step, 2.86288 hours remaining, 235.222656 MB of memory in use. ENERGY: 1723800 3990.5145 20408.6355 14474.2791 253.2712 -203386.2987 2918.1308 0.0000 0.0000 51752.8788 -109588.5889 297.4245 -161341.4677 -109240.4012 298.4033 130.0007 164.0068 763141.5001 3.0627 3.0462 PRESSURE: 1724000 263.949 -179.838 -157.935 -179.839 259.043 109.742 -157.935 109.742 380.2 GPRESSURE: 1724000 335.878 -303.899 -95.7709 -291.147 285.667 122.552 -83.3193 28.3259 368.879 PRESSAVG: 1724000 -15.2155 -6.23881 46.0229 -6.23881 1.89249 -23.7752 46.0228 -23.7752 17.2928 GPRESSAVG: 1724000 -15.7221 -6.89522 47.0265 -7.96214 3.09153 -24.6946 47.7257 -23.9349 16.4699 TIMING: 1724000 CPU: 5386.8, 0.00313481/step Wall: 5386.8, 0.00313481/step, 2.85268 hours remaining, 235.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1724000 3991.5699 20451.7376 14367.4726 249.1041 -203856.6709 3054.1375 0.0000 0.0000 52098.2992 -109644.3499 299.4096 -161742.6492 -109289.1647 297.9774 301.0641 330.1415 761141.9167 1.3233 1.2798 PRESSURE: 1724200 -337.014 -7.56915 42.301 -7.56866 -8.93935 -148.863 42.3009 -148.863 67.4489 GPRESSURE: 1724200 -341.774 175.622 -0.447704 -80.2457 -16.6144 -165.647 122.29 5.76015 158.825 PRESSAVG: 1724200 2.20336 -21.5444 12.8602 -21.5445 31.7567 47.3497 12.8601 47.3498 19.2237 GPRESSAVG: 1724200 3.46825 -20.4533 11.9021 -20.5661 30.3272 49.0714 14.832 47.166 18.8154 TIMING: 1724200 CPU: 5387.43, 0.00313538/step Wall: 5387.43, 0.00313538/step, 2.85302 hours remaining, 235.222656 MB of memory in use. ENERGY: 1724200 4038.4947 20477.3263 14373.5338 255.5454 -203062.9367 2496.8267 0.0000 0.0000 51819.4184 -109601.7913 297.8069 -161421.2097 -109248.2878 298.1535 -92.8347 -66.5214 761967.5117 17.7279 17.5369 LDB: ============= START OF LOAD BALANCING ============== 5399.91 LDB: ============== END OF LOAD BALANCING =============== 5399.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5399.91 LDB: ============= START OF LOAD BALANCING ============== 5400.23 LDB: Largest compute 6985 load 0.031730 is 16.3% of average load 0.194950 LDB: Average compute 0.004398 is 2.3% of average load 0.194950 LDB: TIME 5400.23 LOAD: AVG 0.19495 MAX 0.213198 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.023 MB LDB: TIME 5400.23 LOAD: AVG 0.19495 MAX 0.213198 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.023 MB LDB: TIME 5400.23 LOAD: AVG 0.19495 MAX 0.213198 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.023 MB LDB: ============== END OF LOAD BALANCING =============== 5400.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5400.24 PRESSURE: 1724400 23.0897 -114.393 -10.2552 -114.394 -279.557 -7.75268 -10.2562 -7.75203 -167.173 GPRESSURE: 1724400 6.15161 -65.3699 -12.3827 -82.9742 -192.679 42.2014 25.0715 1.99326 -145.181 PRESSAVG: 1724400 -19.5523 3.95574 -2.35413 3.95574 -5.24807 28.9676 -2.35415 28.9676 -23.7895 GPRESSAVG: 1724400 -21.3708 3.09474 -1.41785 4.93453 -4.6617 28.4608 -5.03701 28.3923 -23.3497 TIMING: 1724400 CPU: 5388.07, 0.00319504/step Wall: 5388.07, 0.00319503/step, 2.90713 hours remaining, 234.820312 MB of memory in use. ENERGY: 1724400 4005.3552 20495.8951 14424.2444 240.5814 -203043.4313 2539.4437 0.0000 0.0000 51824.6975 -109513.2140 297.8372 -161337.9115 -109158.3780 298.4303 -141.2133 -110.5694 761865.1665 -16.1966 -16.4607 PRESSURE: 1724600 476.151 103.823 -20.9419 103.825 296.75 124.23 -20.9414 124.23 139.163 GPRESSURE: 1724600 404.092 133.009 81.4599 -16.668 412.493 61.5677 -200.964 159.811 177.669 PRESSAVG: 1724600 21.0077 10.5455 -56.4111 10.5455 2.74768 17.6967 -56.4111 17.6967 21.9174 GPRESSAVG: 1724600 21.1057 10.1197 -57.6521 9.07328 3.01178 17.6388 -55.1656 19.2658 21.4018 TIMING: 1724600 CPU: 5388.7, 0.00313016/step Wall: 5388.7, 0.00313016/step, 2.84792 hours remaining, 235.019531 MB of memory in use. ENERGY: 1724600 3997.5796 20597.9678 14501.4822 241.2424 -203290.4580 2666.6220 0.0000 0.0000 51871.6260 -109413.9379 298.1069 -161285.5639 -109054.5396 298.7882 304.0215 331.4181 763188.8583 15.2242 15.1731 PRESSURE: 1724800 223.631 -72.4036 -113.136 -72.4034 141.511 -72.2766 -113.136 -72.2753 -155.688 GPRESSURE: 1724800 255.966 -16.1193 -176.893 -66.5427 90.0185 -117.922 -42.6777 -103.891 -65.6274 PRESSAVG: 1724800 -59.6251 -17.5414 -1.35187 -17.5413 34.2636 15.15 -1.35189 15.15 -13.2892 GPRESSAVG: 1724800 -59.8576 -15.5604 -1.42466 -18.0572 34.5318 15.3712 -1.37115 13.393 -13.2578 TIMING: 1724800 CPU: 5389.32, 0.00312682/step Wall: 5389.32, 0.00312682/step, 2.84471 hours remaining, 235.019531 MB of memory in use. ENERGY: 1724800 4003.8469 20667.8822 14432.5274 247.3891 -203807.9287 3144.0191 0.0000 0.0000 52037.2246 -109275.0394 299.0586 -161312.2640 -108922.3126 298.9849 69.8180 93.4523 762587.0625 -12.8835 -12.8612 PRESSURE: 1725000 399.54 -0.81423 -181.004 -0.814508 -183.677 32.6835 -181.004 32.6836 60.7232 GPRESSURE: 1725000 309.257 -5.87581 -208.686 20.662 -26.0424 17.9665 -133.185 168.243 71.1177 PRESSAVG: 1725000 54.8842 -34.4301 -0.0957275 -34.43 -57.1958 16.5004 -0.095789 16.5004 6.91284 GPRESSAVG: 1725000 54.435 -34.6839 -1.67679 -35.288 -57.2713 14.9069 -0.205527 19.6423 6.73843 TIMING: 1725000 CPU: 5389.95, 0.00314903/step Wall: 5389.95, 0.00314903/step, 2.86475 hours remaining, 235.019531 MB of memory in use. ENERGY: 1725000 3979.0787 20467.8964 14465.7412 222.7257 -203156.3389 2653.0567 0.0000 0.0000 52167.0523 -109200.7878 299.8048 -161367.8402 -108833.8063 298.8841 92.1953 118.1107 763916.1792 1.5337 1.3007 PRESSURE: 1725200 -222.081 11.0335 -180.822 11.0341 -212.216 -344.451 -180.823 -344.45 -36.5307 GPRESSURE: 1725200 -137.972 87.8782 -260.608 -45.1651 -249.608 -342.497 35.5842 -242.377 0.833805 PRESSAVG: 1725200 11.7614 -1.95605 -47.4749 -1.95607 -27.5736 16.396 -47.4749 16.396 -8.77545 GPRESSAVG: 1725200 12.139 -2.8661 -46.5182 0.191882 -28.5607 18.4821 -45.8913 15.2184 -8.66016 TIMING: 1725200 CPU: 5390.58, 0.00313285/step Wall: 5390.58, 0.00313285/step, 2.84985 hours remaining, 235.019531 MB of memory in use. ENERGY: 1725200 4017.5302 20571.4191 14426.5405 246.1831 -202932.9300 2621.3680 0.0000 0.0000 51929.8124 -109120.0766 298.4413 -161049.8891 -108761.2074 299.6310 -156.9424 -128.9155 760972.4785 -8.1959 -8.3606 PRESSURE: 1725400 15.1801 -77.2911 -44.6898 -77.2917 -7.24971 -55.7682 -44.6908 -55.7672 -90.2263 GPRESSURE: 1725400 25.9146 -83.4376 54.0899 -24.7597 7.1572 -56.1029 -122.887 -88.7048 -30.757 PRESSAVG: 1725400 17.7871 -32.467 -40.6889 -32.467 -70.1019 -6.4743 -40.6889 -6.47434 10.2726 GPRESSAVG: 1725400 16.7574 -31.0073 -39.5483 -32.4571 -69.46 -6.97277 -42.035 -6.54862 10.028 TIMING: 1725400 CPU: 5391.2, 0.0031251/step Wall: 5391.2, 0.0031251/step, 2.84263 hours remaining, 235.019531 MB of memory in use. ENERGY: 1725400 4056.1691 20590.7019 14457.8648 248.5603 -203234.8158 2758.0310 0.0000 0.0000 51895.8212 -109227.6675 298.2460 -161123.4887 -108863.7853 299.6683 -27.4320 0.7716 761803.7917 -14.0141 -14.2249 PRESSURE: 1725600 -66.8284 8.96324 -83.7315 8.9638 133.411 153.099 -83.7311 153.1 -179.938 GPRESSURE: 1725600 -70.5086 43.3072 -47.6791 -17.045 132.338 163.743 -66.5671 216.793 -90.9646 PRESSAVG: 1725600 -24.3845 11.0935 -13.665 11.0935 10.7616 -55.3282 -13.665 -55.3282 -15.3196 GPRESSAVG: 1725600 -23.6919 8.36294 -15.4334 10.4736 11.553 -54.8704 -12.3838 -53.4326 -16.614 TIMING: 1725600 CPU: 5391.83, 0.00311256/step Wall: 5391.83, 0.00311256/step, 2.83105 hours remaining, 235.019531 MB of memory in use. ENERGY: 1725600 4053.2073 20598.4298 14440.3174 245.5557 -203359.0859 2936.8345 0.0000 0.0000 52083.6700 -109001.0713 299.3256 -161084.7413 -108641.3008 299.6416 -37.7852 -9.7119 763079.3552 -9.6475 -9.5843 PRESSURE: 1725800 -185.264 48.7965 67.9605 48.7956 -61.7519 99.0471 67.9615 99.0472 320.734 GPRESSURE: 1725800 -191.41 62.4343 59.7326 8.35318 -34.534 92.8885 167.992 26.282 384.374 PRESSAVG: 1725800 -0.759786 -52.2901 -4.78385 -52.2901 -19.4478 -36.4997 -4.78387 -36.4996 18.3143 GPRESSAVG: 1725800 -0.607442 -50.4079 -2.74362 -51.147 -21.2087 -37.4675 -6.56966 -40.3562 19.5852 TIMING: 1725800 CPU: 5392.45, 0.00311286/step Wall: 5392.45, 0.00311286/step, 2.83115 hours remaining, 235.019531 MB of memory in use. ENERGY: 1725800 4041.4756 20565.1402 14476.7406 225.2500 -202885.6736 2702.7989 0.0000 0.0000 51981.9847 -108892.2836 298.7412 -160874.2683 -108538.7882 299.6397 24.5730 52.8101 761851.4944 -0.6311 -0.7436 PRESSURE: 1726000 -128.766 -143.489 147.772 -143.49 -72.5058 -218.688 147.772 -218.689 -155.29 GPRESSURE: 1726000 -147.859 -208.965 77.2142 -169.348 -50.0096 -246.405 178.042 -156.929 -82.5438 PRESSAVG: 1726000 55.3023 -33.22 28.0601 -33.2201 -18.39 -20.4748 28.0601 -20.4748 -19.4912 GPRESSAVG: 1726000 54.7995 -35.8519 26.9021 -34.0967 -17.6722 -18.0277 30.2217 -19.4841 -19.7952 TIMING: 1726000 CPU: 5393.07, 0.00312288/step Wall: 5393.07, 0.00312288/step, 2.84009 hours remaining, 235.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1726000 4093.5468 20603.6546 14447.9946 245.6378 -203256.5223 2706.6030 0.0000 0.0000 52220.5182 -108938.5673 300.1120 -161159.0855 -108574.6574 299.5405 -118.8538 -93.4706 761961.5661 5.8070 5.7773 PRESSURE: 1726200 94.3963 347.833 -34.4173 347.834 -154.025 73.1 -34.4181 73.0997 -238.402 GPRESSURE: 1726200 155.14 311.394 51.5986 255.473 -172.146 25.3772 -121.391 76.9898 -206.65 PRESSAVG: 1726200 44.5226 31.0571 -18.6591 31.0571 -65.7881 -23.646 -18.659 -23.6459 -8.19529 GPRESSAVG: 1726200 46.4826 34.1768 -17.7747 30.8781 -67.6447 -25.5958 -19.9496 -23.2254 -8.68839 TIMING: 1726200 CPU: 5393.69, 0.00311116/step Wall: 5393.69, 0.00311117/step, 2.82926 hours remaining, 235.019531 MB of memory in use. ENERGY: 1726200 4047.0629 20416.9496 14514.3981 236.9702 -202666.2203 2404.0225 0.0000 0.0000 52272.3272 -108774.4897 300.4098 -161046.8169 -108403.2261 299.6111 -99.3436 -74.5519 762341.6752 -9.8203 -9.9501 PRESSURE: 1726400 -82.2009 -9.08837 277.867 -9.08821 57.2624 53.1252 277.867 53.1257 -320.006 GPRESSURE: 1726400 -53.7172 -135.467 219.024 14.3006 54.566 29.7355 210.866 72.9743 -270.362 PRESSAVG: 1726400 10.1618 21.5783 6.35522 21.5783 20.2686 29.161 6.3552 29.1609 -16.7204 GPRESSAVG: 1726400 8.28557 21.8959 5.82174 21.5017 21.302 30.6078 4.89428 28.0971 -15.6269 TIMING: 1726400 CPU: 5394.31, 0.00310036/step Wall: 5394.31, 0.00310036/step, 2.81926 hours remaining, 235.019531 MB of memory in use. ENERGY: 1726400 4118.4630 20485.9426 14498.4870 260.5896 -202733.4148 2418.7374 0.0000 0.0000 52011.9056 -108939.2897 298.9131 -160951.1953 -108583.3593 299.7753 -114.9813 -89.8377 761263.1785 4.5700 4.6536 PRESSURE: 1726600 -283.151 -28.3697 -216.531 -28.3699 -15.1292 61.5903 -216.53 61.5914 127.061 GPRESSURE: 1726600 -286.746 -6.90281 -230.157 -127.133 23.5397 6.80339 -248.083 170.757 187.525 PRESSAVG: 1726600 18.3897 45.4551 40.3794 45.4551 -24.337 9.9263 40.3794 9.92631 6.30293 GPRESSAVG: 1726600 18.9792 43.3683 40.4657 47.8492 -24.6003 9.05989 41.2401 9.43183 5.80813 TIMING: 1726600 CPU: 5394.94, 0.00312322/step Wall: 5394.94, 0.00312322/step, 2.83987 hours remaining, 235.019531 MB of memory in use. ENERGY: 1726600 3985.1887 20486.5207 14380.8631 253.9102 -203170.7697 3002.2784 0.0000 0.0000 52121.5622 -108940.4465 299.5433 -161062.0087 -108570.5756 299.3638 -57.0731 -25.2273 764551.6956 0.1186 0.0623 PRESSURE: 1726800 -53.8894 -45.5779 28.3617 -45.5779 64.6791 -151.446 28.362 -151.446 -194.295 GPRESSURE: 1726800 15.0975 10.2738 -79.228 -22.3625 94.3126 -94.7265 88.9978 -292.971 -200.44 PRESSAVG: 1726800 -8.4191 80.8248 -19.5798 80.8248 -8.97474 -25.1149 -19.5798 -25.1149 -23.9169 GPRESSAVG: 1726800 -9.66299 84.8552 -19.4674 78.4567 -8.46429 -24.7194 -19.815 -21.9924 -23.1505 TIMING: 1726800 CPU: 5395.57, 0.00313086/step Wall: 5395.57, 0.00313086/step, 2.84665 hours remaining, 235.019531 MB of memory in use. ENERGY: 1726800 3950.5543 20588.6975 14356.4142 255.3464 -202832.4530 2685.7177 0.0000 0.0000 52096.7450 -108898.9780 299.4007 -160995.7229 -108531.6274 299.5461 -61.1686 -30.3434 762054.7076 -13.7702 -13.7593 PRESSURE: 1727000 -72.1568 281.564 -178.429 281.564 87.3904 50.1205 -178.429 50.1198 151.024 GPRESSURE: 1727000 -7.82092 291.618 -291.762 225.26 91.6746 85.0572 -106.561 14.7013 146.125 PRESSAVG: 1727000 -21.6296 75.3569 -50.7267 75.3568 8.29323 -28.0019 -50.7267 -28.0018 -17.5561 GPRESSAVG: 1727000 -20.6408 72.2057 -51.1459 77.647 6.07816 -27.8028 -49.5217 -30.8202 -16.8357 TIMING: 1727000 CPU: 5396.19, 0.00312757/step Wall: 5396.19, 0.00312757/step, 2.84348 hours remaining, 235.019531 MB of memory in use. ENERGY: 1727000 3990.7465 20524.7339 14393.0222 240.5918 -202947.7562 2724.2689 0.0000 0.0000 52264.1494 -108810.2436 300.3628 -161074.3930 -108445.5457 299.7830 55.4191 76.6596 763578.1459 -10.2975 -10.4661 PRESSURE: 1727200 -369.112 108.753 70.3052 108.752 -259.28 15.5636 70.3051 15.5649 289.152 GPRESSURE: 1727200 -281.251 122.044 145.36 73.5289 -233.7 -63.3595 9.50343 23.4556 272.135 PRESSAVG: 1727200 -5.37033 17.7805 -83.5962 17.7805 29.6938 -35.5986 -83.5963 -35.5986 22.6234 GPRESSAVG: 1727200 -5.83159 17.4582 -81.9361 16.7504 30.8297 -36.6382 -84.1378 -33.0367 22.0328 TIMING: 1727200 CPU: 5396.82, 0.00312313/step Wall: 5396.82, 0.00312313/step, 2.83927 hours remaining, 235.019531 MB of memory in use. ENERGY: 1727200 4106.9651 20450.9164 14481.6938 246.5875 -203056.9856 2518.8658 0.0000 0.0000 52226.7582 -109025.1988 300.1479 -161251.9570 -108655.2192 299.9634 -113.0802 -80.9386 762520.9712 15.6490 15.6770 PRESSURE: 1727400 274.538 172.59 171.332 172.59 -49.2172 54.1031 171.333 54.1033 250.371 GPRESSURE: 1727400 242.67 188.531 109.06 147.319 24.9145 54.8252 90.2286 126.685 289.529 PRESSAVG: 1727400 18.836 23.6418 -21.611 23.6418 28.1753 -47.0733 -21.611 -47.0733 12.3669 GPRESSAVG: 1727400 18.4274 24.9864 -23.4915 23.8795 28.8718 -46.5441 -20.5434 -49.1073 11.6098 TIMING: 1727400 CPU: 5397.44, 0.00311887/step Wall: 5397.44, 0.00311887/step, 2.83523 hours remaining, 235.019531 MB of memory in use. ENERGY: 1727400 3998.1400 20602.1681 14412.1790 263.7539 -203534.8751 2977.4240 0.0000 0.0000 52190.5100 -109090.7001 299.9396 -161281.2101 -108730.3821 299.5329 158.5639 185.7042 761744.7969 19.7927 19.6363 PRESSURE: 1727600 134.69 251.646 23.5193 251.646 263.434 -221.761 23.5183 -221.761 213.335 GPRESSURE: 1727600 219.028 248.245 17.0171 333.256 240.685 -230.6 -33.4362 -37.0725 218.568 PRESSAVG: 1727600 24.7071 31.7743 -1.59506 31.7743 27.5657 20.048 -1.59515 20.048 16.1483 GPRESSAVG: 1727600 25.5695 30.6419 -0.181878 33.7014 27.2034 20.6606 -1.27273 21.7402 15.6239 TIMING: 1727600 CPU: 5398.06, 0.00312084/step Wall: 5398.06, 0.00312084/step, 2.83684 hours remaining, 235.019531 MB of memory in use. ENERGY: 1727600 3972.3216 20572.4477 14352.1488 252.8815 -203613.3771 3125.1645 0.0000 0.0000 52221.1197 -109117.2933 300.1155 -161338.4130 -108752.0376 299.5990 203.8194 226.0936 762428.6934 22.8070 22.7989 PRESSURE: 1727800 7.02442 278.471 36.7969 278.471 -252.77 -72.1105 36.7967 -72.1103 -574.032 GPRESSURE: 1727800 41.5578 218.227 85.8789 239.221 -281.105 81.9511 -77.9524 -267.03 -491.015 PRESSAVG: 1727800 -3.4772 52.142 -20.6777 52.1421 -0.350426 -54.3677 -20.6777 -54.3677 -25.8102 GPRESSAVG: 1727800 -2.83607 53.0867 -21.3119 49.662 -0.478529 -52.9173 -21.4151 -56.3603 -25.9577 TIMING: 1727800 CPU: 5398.69, 0.00311395/step Wall: 5398.69, 0.00311395/step, 2.83041 hours remaining, 235.019531 MB of memory in use. ENERGY: 1727800 4153.4828 20479.7456 14341.9875 257.7404 -202976.2906 2594.2067 0.0000 0.0000 51916.3361 -109232.7915 298.3639 -161149.1276 -108882.3514 299.2127 -273.2589 -243.5206 764418.7523 -9.8793 -9.7574 PRESSURE: 1728000 -75.6959 -95.8164 -17.824 -95.8167 244.575 -37.9602 -17.8238 -37.9611 233.122 GPRESSURE: 1728000 -80.4567 -70.1655 21.2804 16.2331 360.809 -7.01407 -1.63864 -105.291 218.32 PRESSAVG: 1728000 17.8717 1.49491 32.5949 1.49487 17.6983 -6.51742 32.5949 -6.51741 -9.6878 GPRESSAVG: 1728000 16.8337 1.44061 31.4442 2.97908 18.7953 -9.4342 35.1329 -4.74021 -9.46772 TIMING: 1728000 CPU: 5399.31, 0.00312269/step Wall: 5399.31, 0.00312269/step, 2.83818 hours remaining, 235.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1728000 4051.2693 20434.6301 14445.1888 238.2271 -203387.8607 2880.9021 0.0000 0.0000 52034.2288 -109303.4144 299.0414 -161337.6432 -108940.6114 299.1604 134.0003 166.2241 763065.6427 8.6274 8.7204 PRESSURE: 1728200 411.707 227.547 -198.885 227.547 78.088 -1.81081 -198.884 -1.81116 172.077 GPRESSURE: 1728200 475.538 163.397 -194.628 165.626 205.671 174.895 -131.194 -26.1747 109.761 PRESSAVG: 1728200 29.3008 27.1763 1.22883 27.1763 -29.1488 18.492 1.22879 18.492 -20.0044 GPRESSAVG: 1728200 28.8351 26.0608 1.71049 26.8432 -29.2419 19.9236 1.52701 19.5162 -20.0043 TIMING: 1728200 CPU: 5399.93, 0.00311927/step Wall: 5399.93, 0.00311927/step, 2.83489 hours remaining, 235.019531 MB of memory in use. ENERGY: 1728200 3985.1978 20487.4105 14344.6676 269.4064 -203510.0255 3003.4145 0.0000 0.0000 52125.7593 -109294.1693 299.5675 -161419.9286 -108931.0325 299.1337 220.6240 263.6565 761636.2876 -6.6175 -6.8037 LDB: ============= START OF LOAD BALANCING ============== 5412.41 LDB: ============== END OF LOAD BALANCING =============== 5412.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5412.41 LDB: ============= START OF LOAD BALANCING ============== 5412.73 LDB: Largest compute 6985 load 0.028944 is 14.8% of average load 0.195099 LDB: Average compute 0.004386 is 2.2% of average load 0.195099 LDB: TIME 5412.73 LOAD: AVG 0.195099 MAX 0.21234 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.051 MB LDB: TIME 5412.73 LOAD: AVG 0.195099 MAX 0.21234 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.051 MB LDB: TIME 5412.73 LOAD: AVG 0.195099 MAX 0.21234 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.051 MB LDB: ============== END OF LOAD BALANCING =============== 5412.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5412.74 PRESSURE: 1728400 378.716 -15.6421 86.6164 -15.6426 267.374 13.7588 86.616 13.7581 -11.6828 GPRESSURE: 1728400 465.923 -55.4086 176.299 41.4434 263.636 -26.4045 48.7262 21.3829 -4.35114 PRESSAVG: 1728400 -11.7242 20.1861 19.569 20.1861 -53.54 10.8283 19.569 10.8282 -5.22995 GPRESSAVG: 1728400 -11.993 20.0937 18.7419 20.1797 -53.275 12.0225 17.6381 7.00057 -4.87108 TIMING: 1728400 CPU: 5400.57, 0.00319298/step Wall: 5400.57, 0.00319298/step, 2.90171 hours remaining, 234.820312 MB of memory in use. ENERGY: 1728400 3965.7012 20682.1190 14437.1967 274.0304 -203418.6058 2935.8807 0.0000 0.0000 51878.5020 -109245.1758 298.1465 -161123.6778 -108879.7817 299.1854 211.4689 241.7360 762013.3888 -23.4981 -23.3797 PRESSURE: 1728600 -154.953 -22.4124 -93.9364 -22.4128 -493.838 -159.014 -93.9363 -159.014 -249.675 GPRESSURE: 1728600 -68.1524 -103.89 -74.2158 -5.95459 -541.522 -223.008 -128.616 -133.886 -205.244 PRESSAVG: 1728600 73.9141 50.5221 14.9712 50.5221 -69.4585 -5.50544 14.9712 -5.50544 10.2684 GPRESSAVG: 1728600 75.8001 50.4751 15.6595 50.3751 -70.8222 -6.97735 15.3385 -4.78562 9.74933 TIMING: 1728600 CPU: 5401.2, 0.00312309/step Wall: 5401.2, 0.00312309/step, 2.83802 hours remaining, 235.023438 MB of memory in use. ENERGY: 1728600 3939.7924 20586.2035 14471.8087 254.8521 -203130.3808 2592.3896 0.0000 0.0000 51937.7243 -109347.6102 298.4868 -161285.3345 -108994.3539 299.1924 -299.4887 -271.6396 762811.9504 4.9080 4.9091 PRESSURE: 1728800 -142.499 47.2136 24.7054 47.2137 -154.169 34.8803 24.7056 34.8803 -116.062 GPRESSURE: 1728800 -65.167 -55.9092 6.42032 128.663 -225.546 95.9534 21.5208 5.68631 -46.2166 PRESSAVG: 1728800 27.838 43.4747 33.013 43.4748 -13.6489 30.1664 33.013 30.1664 3.22818 GPRESSAVG: 1728800 26.8151 45.1576 32.7507 42.4933 -13.5743 31.783 33.1137 30.5604 3.68761 TIMING: 1728800 CPU: 5401.82, 0.00310873/step Wall: 5401.82, 0.00310873/step, 2.8248 hours remaining, 235.023438 MB of memory in use. ENERGY: 1728800 4003.5476 20567.4755 14515.3390 245.4608 -203319.4880 2600.0662 0.0000 0.0000 52144.7265 -109242.8723 299.6765 -161387.5988 -108884.2727 299.1523 -137.5768 -112.3098 762781.4456 5.8058 5.6428 PRESSURE: 1729000 399.995 153.841 -91.0581 153.842 -545.994 72.8745 -91.0582 72.8751 211.543 GPRESSURE: 1729000 384.474 189.004 -14.1722 254.14 -453.067 12.7679 -128.824 76.2272 251.327 PRESSAVG: 1729000 5.6119 73.8851 21.6363 73.8851 15.4523 1.27222 21.6363 1.27231 -30.5049 GPRESSAVG: 1729000 5.55854 73.053 21.128 73.5995 16.4715 0.378613 23.9578 1.63805 -31.0444 TIMING: 1729000 CPU: 5402.44, 0.00310957/step Wall: 5402.44, 0.00310957/step, 2.82539 hours remaining, 235.023438 MB of memory in use. ENERGY: 1729000 3993.1657 20438.2352 14453.8833 250.6364 -203372.5719 2790.1119 0.0000 0.0000 52206.8704 -109239.6691 300.0336 -161446.5394 -108859.6859 299.4300 21.8480 60.9114 763088.6977 -3.1469 -3.0048 PRESSURE: 1729200 -75.7376 76.206 -109.715 76.2049 134.688 -121.362 -109.714 -121.362 -50.9104 GPRESSURE: 1729200 88.6728 56.8546 -14.6188 7.86736 167.775 -169.811 -122.41 -77.2994 -162.574 PRESSAVG: 1729200 40.2291 63.9568 -4.68704 63.9568 -18.5154 15.5048 -4.68697 15.5048 15.1712 GPRESSAVG: 1729200 40.2897 61.9988 -2.30566 64.1525 -18.4764 15.1275 -8.15462 15.7868 14.7017 TIMING: 1729200 CPU: 5403.07, 0.00312455/step Wall: 5403.07, 0.00312455/step, 2.83883 hours remaining, 235.023438 MB of memory in use. ENERGY: 1729200 4043.6321 20700.3914 14478.5990 249.8369 -203209.7493 2714.6655 0.0000 0.0000 51823.9207 -109198.7037 297.8328 -161022.6244 -108833.5183 299.3838 2.6801 31.2912 763030.2526 12.2950 12.1717 PRESSURE: 1729400 322.964 146.056 69.2766 146.056 -124.094 -146.844 69.2769 -146.843 143.243 GPRESSURE: 1729400 402.965 183.328 115.221 130.265 -47.4227 -74.0663 -49.873 -40.6206 86.0601 PRESSAVG: 1729400 35.5977 16.7101 20.9587 16.7101 0.566383 -42.5559 20.9586 -42.5559 -2.20573 GPRESSAVG: 1729400 35.6433 17.7551 19.4245 19.7448 0.00734067 -42.6037 22.3114 -43.3806 -1.51449 TIMING: 1729400 CPU: 5403.69, 0.00312456/step Wall: 5403.69, 0.00312456/step, 2.83867 hours remaining, 235.023438 MB of memory in use. ENERGY: 1729400 4044.0796 20543.8273 14552.3530 225.6853 -203417.5379 2883.4091 0.0000 0.0000 51964.8233 -109203.3603 298.6426 -161168.1835 -108836.1028 299.3246 114.0376 147.2008 761354.3153 11.3195 11.3787 PRESSURE: 1729600 230.117 101.777 61.1531 101.777 13.4561 43.6722 61.1527 43.6724 -70.7284 GPRESSURE: 1729600 204.918 55.0147 167.062 -72.1815 63.3434 66.3199 2.23928 144.136 -16.9487 PRESSAVG: 1729600 50.6153 17.973 -49.9795 17.973 -33.7361 -45.9609 -49.9796 -45.9609 -1.57341 GPRESSAVG: 1729600 49.6021 16.6289 -51.0603 14.9598 -32.8307 -45.7899 -50.3638 -44.6837 -1.4313 TIMING: 1729600 CPU: 5404.31, 0.0031/step Wall: 5404.31, 0.0031/step, 2.81618 hours remaining, 235.023438 MB of memory in use. ENERGY: 1729600 4042.6505 20592.9449 14427.5129 247.4482 -203098.8557 2595.5842 0.0000 0.0000 52034.4547 -109158.2602 299.0427 -161192.7150 -108802.1693 299.3023 57.6150 83.7711 762558.9720 5.1019 5.1134 PRESSURE: 1729800 133.176 -303.298 110.175 -303.298 -63.4836 -172.073 110.175 -172.074 420.024 GPRESSURE: 1729800 134.825 -180.595 94.4949 -369.555 12.9803 -182.763 73.4423 -208.073 411.798 PRESSAVG: 1729800 5.07852 -47.8936 20.4328 -47.8936 26.5963 -44.3533 20.4327 -44.3533 -2.24217 GPRESSAVG: 1729800 6.4962 -46.6122 21.5026 -48.386 26.1908 -45.9693 20.199 -44.7559 -3.18502 TIMING: 1729800 CPU: 5404.94, 0.00312439/step Wall: 5404.94, 0.00312439/step, 2.83816 hours remaining, 235.023438 MB of memory in use. ENERGY: 1729800 4002.2247 20622.5640 14412.2742 248.0096 -203486.7323 2786.8880 0.0000 0.0000 52181.2089 -109233.5629 299.8861 -161414.7718 -108870.0691 298.7164 163.2386 186.5346 761445.4322 9.8109 9.8340 PRESSURE: 1730000 230.448 -1.96156 22.2309 -1.96141 -166.035 60.1251 22.2306 60.1253 -245.55 GPRESSURE: 1730000 176.079 -9.38447 82.6626 -76.4908 -94.8374 88.7726 145.109 7.15576 -190.423 PRESSAVG: 1730000 -48.7368 -18.3131 -1.92151 -18.3131 -19.7519 17.2155 -1.9215 17.2155 24.324 GPRESSAVG: 1730000 -49.2968 -17.2412 -0.969315 -17.2239 -20.5801 18.3804 -2.53861 15.4394 25.5215 TIMING: 1730000 CPU: 5405.56, 0.00312368/step Wall: 5405.56, 0.00312368/step, 2.83734 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1730000 3978.5722 20552.9178 14434.1660 235.7207 -203155.6423 2553.7988 0.0000 0.0000 51875.4878 -109524.9790 298.1291 -161400.4668 -109172.5559 299.0436 -60.3789 -36.3939 762450.3377 -14.7216 -14.7851 PRESSURE: 1730200 148.809 -191.2 -118.335 -191.199 -157.213 -106.779 -118.336 -106.779 -18.9985 GPRESSURE: 1730200 90.307 -111.749 -146.683 -131.462 -89.7027 -178.632 -80.0977 -216.032 55.0419 PRESSAVG: 1730200 -45.6281 -33.6919 3.4323 -33.6919 22.8421 -4.9979 3.43231 -4.99797 -12.4753 GPRESSAVG: 1730200 -46.1505 -32.8421 1.77186 -35.5076 23.6931 -3.91642 4.53739 -2.2415 -13.6559 TIMING: 1730200 CPU: 5406.18, 0.00311678/step Wall: 5406.18, 0.00311678/step, 2.8309 hours remaining, 235.023438 MB of memory in use. ENERGY: 1730200 3956.8739 20508.2228 14449.8877 265.0436 -203335.0818 2562.5847 0.0000 0.0000 52143.8997 -109448.5693 299.6717 -161592.4690 -109094.1790 298.8859 -9.1343 18.5487 762039.2067 -11.7538 -12.0377 PRESSURE: 1730400 -270.969 85.2858 208.414 85.2854 89.0128 -146.335 208.414 -146.334 341.771 GPRESSURE: 1730400 -222.978 106.77 176.307 123.165 216.482 -134.356 204.819 -325.823 250.275 PRESSAVG: 1730400 -92.2695 -30.0721 3.04308 -30.0721 55.9842 -11.6088 3.04308 -11.6088 11.4388 GPRESSAVG: 1730400 -93.8598 -31.8229 4.12739 -27.3168 57.7202 -12.1012 1.17427 -14.2612 11.7587 TIMING: 1730400 CPU: 5406.81, 0.00311276/step Wall: 5406.81, 0.00311276/step, 2.82707 hours remaining, 235.023438 MB of memory in use. ENERGY: 1730400 4015.5786 20345.2479 14461.5333 239.1382 -202996.4560 2574.6110 0.0000 0.0000 51842.1718 -109518.1752 297.9377 -161360.3470 -109152.2462 298.7212 53.2716 81.2595 762690.2173 -8.2822 -8.1269 PRESSURE: 1730600 91.4599 -123.564 -112.52 -123.563 113.61 45.2582 -112.521 45.2588 -19.8959 GPRESSURE: 1730600 69.8076 -130.242 -123.241 -108.162 108.938 -66.4436 -97.0799 -102.068 85.7343 PRESSAVG: 1730600 -71.8261 -10.477 10.6419 -10.4771 59.2549 -9.10541 10.642 -9.10534 -6.49871 GPRESSAVG: 1730600 -71.4223 -10.4974 10.2871 -10.5965 58.579 -9.82621 11.7486 -8.64648 -6.19828 TIMING: 1730600 CPU: 5407.43, 0.00313046/step Wall: 5407.43, 0.00313046/step, 2.84298 hours remaining, 235.023438 MB of memory in use. ENERGY: 1730600 3939.8760 20541.2129 14448.1543 254.8648 -202837.3116 2414.5520 0.0000 0.0000 51890.4386 -109348.2132 298.2151 -161238.6517 -108987.1362 298.3772 61.7246 88.1599 761478.0027 -6.3566 -6.3472 PRESSURE: 1730800 102.93 -34.16 151.716 -34.16 179.52 215.9 151.716 215.901 150.095 GPRESSURE: 1730800 118.99 24.6556 153.412 -72.3093 254.409 243.766 182.405 0.70632 141.684 PRESSAVG: 1730800 16.9037 -19.0422 47.8827 -19.0422 25.5269 59.0271 47.8827 59.0271 -6.62571 GPRESSAVG: 1730800 17.0568 -17.2424 48.1656 -18.8322 25.4812 58.8189 47.2693 60.6709 -7.06814 TIMING: 1730800 CPU: 5408.06, 0.00311417/step Wall: 5408.06, 0.00311417/step, 2.82801 hours remaining, 235.023438 MB of memory in use. ENERGY: 1730800 3983.6245 20451.7458 14385.9734 245.9391 -203250.0118 2690.7673 0.0000 0.0000 52065.2713 -109426.6904 299.2198 -161491.9617 -109068.7802 299.3888 144.1815 171.6945 760704.3954 11.9350 11.8233 PRESSURE: 1731000 -25.7512 213.607 -261.475 213.607 50.9517 -32.4677 -261.476 -32.4675 32.8762 GPRESSURE: 1731000 86.6714 92.3402 -231.275 176.847 50.2824 -58.81 -205.776 -45.6274 -8.60538 PRESSAVG: 1731000 7.27103 19.1801 -43.5675 19.1801 -24.8301 -34.7459 -43.5674 -34.7458 -3.25015 GPRESSAVG: 1731000 7.52329 16.5478 -44.9675 18.4626 -24.6177 -34.896 -42.2946 -34.7138 -3.9366 TIMING: 1731000 CPU: 5408.68, 0.00314102/step Wall: 5408.68, 0.00314102/step, 2.85222 hours remaining, 235.023438 MB of memory in use. ENERGY: 1731000 4080.9739 20565.2057 14362.7492 246.3991 -203901.1732 3033.9689 0.0000 0.0000 51918.7749 -109693.1016 298.3779 -161611.8764 -109343.9735 298.4604 19.3589 42.7828 761271.9103 -6.9364 -7.0103 PRESSURE: 1731200 -413.649 -209.341 169.618 -209.341 -170.82 -89.6032 169.618 -89.6031 -155.273 GPRESSURE: 1731200 -279.256 -104.178 233.456 -189.791 -185.544 -60.3899 50.2308 -80.7572 -195.176 PRESSAVG: 1731200 33.6838 -13.9797 -41.1029 -13.9797 -22.3742 -18.7998 -41.1028 -18.7998 10.4554 GPRESSAVG: 1731200 33.7309 -11.0398 -39.9499 -15.8561 -23.357 -17.9276 -42.1917 -20.7998 11.4626 TIMING: 1731200 CPU: 5409.31, 0.003139/step Wall: 5409.31, 0.003139/step, 2.85021 hours remaining, 235.023438 MB of memory in use. ENERGY: 1731200 4070.8088 20561.8534 14472.1974 232.2624 -203372.2382 2566.4814 0.0000 0.0000 51846.5587 -109622.0762 297.9629 -161468.6348 -109264.6783 298.3632 -246.5805 -219.9919 761418.7538 7.2550 7.2788 PRESSURE: 1731400 -289.246 211.832 -152.873 211.832 -78.7794 -112.087 -152.874 -112.087 -259.033 GPRESSURE: 1731400 -243.15 247.863 -54.4226 119.688 -89.8716 -45.9727 -28.5737 -103.327 -207.028 PRESSAVG: 1731400 5.99102 16.718 -10.7919 16.718 -10.3275 -47.193 -10.7918 -47.193 -0.484616 GPRESSAVG: 1731400 5.22363 13.9944 -11.4586 18.1222 -9.47812 -47.557 -8.33037 -45.6694 -0.452713 TIMING: 1731400 CPU: 5409.94, 0.0031278/step Wall: 5409.94, 0.0031278/step, 2.83987 hours remaining, 235.023438 MB of memory in use. ENERGY: 1731400 4018.1252 20638.0040 14429.2507 216.7558 -203144.9937 2534.5607 0.0000 0.0000 51775.3959 -109532.9014 297.5539 -161308.2973 -109170.1861 298.3448 -209.0194 -180.0163 761958.5637 -1.6070 -1.5691 PRESSURE: 1731600 -104.584 -88.374 -52.5532 -88.3732 -333.554 -16.4081 -52.5532 -16.4094 -115.776 GPRESSURE: 1731600 -125.326 -64.8294 -131.814 -76.5509 -210.062 -32.426 -68.1135 84.1692 -141.46 PRESSAVG: 1731600 -29.9529 -9.00913 -34.1512 -9.00912 31.4413 -34.6459 -34.1511 -34.6459 0.46743 GPRESSAVG: 1731600 -30.5878 -7.99702 -32.8139 -7.06472 30.5246 -35.1559 -36.3957 -33.7304 1.42768 TIMING: 1731600 CPU: 5410.56, 0.00313308/step Wall: 5410.56, 0.00313308/step, 2.84449 hours remaining, 235.023438 MB of memory in use. ENERGY: 1731600 4037.6306 20517.9908 14376.5352 232.3880 -203347.8472 2751.8943 0.0000 0.0000 52061.2647 -109370.1435 299.1968 -161431.4083 -109004.3765 298.8938 -184.6379 -158.9492 762821.1589 0.6519 0.4548 PRESSURE: 1731800 -115.209 -129.109 72.6705 -129.109 175.539 -105.421 72.671 -105.421 -146.579 GPRESSURE: 1731800 -61.997 -97.9108 166.429 -130.62 264.066 -113.271 107.991 -82.3593 -193.965 PRESSAVG: 1731800 29.7586 -28.8079 -8.93269 -28.8079 20.6299 -2.51309 -8.9327 -2.51301 -4.73732 GPRESSAVG: 1731800 30.9193 -29.0095 -11.2554 -29.6079 20.9442 -4.31194 -10.4466 -1.92734 -5.98733 TIMING: 1731800 CPU: 5411.19, 0.00313715/step Wall: 5411.19, 0.00313715/step, 2.84801 hours remaining, 235.023438 MB of memory in use. ENERGY: 1731800 4059.1176 20624.0955 14425.3048 247.1056 -203345.7717 2810.8473 0.0000 0.0000 52070.8032 -109108.4976 299.2516 -161179.3008 -108755.8768 298.6959 -28.7499 2.7014 762344.1337 15.2170 15.2921 PRESSURE: 1732000 154.565 -42.3751 -109.225 -42.3755 142.789 -203.032 -109.225 -203.032 197.989 GPRESSURE: 1732000 139.01 -8.22451 -78.5688 21.983 229.702 -165.224 -23.1465 -201.316 212.98 PRESSAVG: 1732000 7.22888 -31.9384 -21.573 -31.9385 -5.53823 23.8073 -21.5729 23.8073 -18.5717 GPRESSAVG: 1732000 6.28275 -32.6981 -20.3638 -31.6253 -4.87815 24.2076 -20.66 21.9362 -17.8753 TIMING: 1732000 CPU: 5411.82, 0.0031315/step Wall: 5411.82, 0.0031315/step, 2.8427 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1732000 4022.9609 20415.6478 14411.7104 257.7170 -203006.0258 2544.4236 0.0000 0.0000 52353.7900 -108999.7759 300.8780 -161353.5660 -108641.0826 299.5689 165.1143 193.8974 762734.5314 -5.6270 -5.4902 PRESSURE: 1732200 -207.15 -186.234 51.3603 -186.234 40.9739 -31.552 51.36 -31.5522 440.351 GPRESSURE: 1732200 -106.426 -175.106 -3.96106 -132.542 96.4685 71.7409 121.545 -90.4901 353.266 PRESSAVG: 1732200 -35.236 -65.2726 -23.2314 -65.2726 27.4606 -20.1378 -23.2314 -20.1379 2.70111 GPRESSAVG: 1732200 -33.9602 -65.4111 -24.1161 -66.6591 26.8844 -18.3416 -21.9645 -18.6122 2.74189 TIMING: 1732200 CPU: 5412.44, 0.00312344/step Wall: 5412.44, 0.00312344/step, 2.83522 hours remaining, 235.023438 MB of memory in use. ENERGY: 1732200 4036.3183 20566.3744 14422.4022 238.1045 -203077.9093 2964.4233 0.0000 0.0000 51880.6038 -108969.6829 298.1585 -160850.2866 -108614.5829 299.2752 91.3920 114.4361 763309.1767 -1.6914 -1.4446 LDB: ============= START OF LOAD BALANCING ============== 5424.92 LDB: ============== END OF LOAD BALANCING =============== 5424.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5424.92 LDB: ============= START OF LOAD BALANCING ============== 5425.24 LDB: Largest compute 6972 load 0.030360 is 15.6% of average load 0.195034 LDB: Average compute 0.004385 is 2.2% of average load 0.195034 LDB: TIME 5425.24 LOAD: AVG 0.195034 MAX 0.216098 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.051 MB LDB: TIME 5425.24 LOAD: AVG 0.195034 MAX 0.216098 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.051 MB LDB: TIME 5425.24 LOAD: AVG 0.195034 MAX 0.216098 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.051 MB LDB: ============== END OF LOAD BALANCING =============== 5425.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5425.25 PRESSURE: 1732400 -244.982 19.6572 145.986 19.6562 -251.604 -199.272 145.986 -199.272 -542.097 GPRESSURE: 1732400 -249.39 4.53365 118.068 -22.7459 -193.219 -187.33 189.469 -191.704 -504.091 PRESSAVG: 1732400 -81.9015 -32.3958 -14.5239 -32.3959 45.9982 -52.1123 -14.5239 -52.1124 16.1978 GPRESSAVG: 1732400 -83.2987 -31.5423 -14.6087 -33.0347 46.4454 -53.1353 -15.3411 -52.7373 17.2345 TIMING: 1732400 CPU: 5413.08, 0.00319103/step Wall: 5413.08, 0.00319103/step, 2.89639 hours remaining, 234.820312 MB of memory in use. ENERGY: 1732400 3987.7715 20670.0249 14463.1746 243.1678 -202634.7997 2520.0503 0.0000 0.0000 51792.9672 -108957.6432 297.6549 -160750.6105 -108596.0411 299.4873 -346.2278 -315.5665 764797.6078 -6.5685 -6.5396 PRESSURE: 1732600 -64.7286 -203.301 -76.9317 -203.301 203.858 128.492 -76.933 128.492 106.307 GPRESSURE: 1732600 36.8929 -246.643 -6.89046 -154.089 197.027 140.346 -64.6904 36.7588 83.7732 PRESSAVG: 1732600 -75.0053 -17.8178 62.796 -17.8178 79.9293 20.307 62.796 20.307 19.2936 GPRESSAVG: 1732600 -73.5073 -17.5553 63.1694 -17.2447 79.7765 20.584 61.4757 20.8913 17.7647 TIMING: 1732600 CPU: 5413.71, 0.00313258/step Wall: 5413.71, 0.00313258/step, 2.84316 hours remaining, 234.820312 MB of memory in use. ENERGY: 1732600 4067.7130 20543.2971 14385.1772 262.2311 -203403.7343 3014.3429 0.0000 0.0000 52283.6633 -108847.3097 300.4749 -161130.9730 -108481.9947 299.6310 81.8121 105.8978 763579.2902 8.0725 8.0113 PRESSURE: 1732800 -115.721 10.8143 63.6087 10.815 37.3116 52.5169 63.6088 52.5179 -66.7266 GPRESSURE: 1732800 -102.229 -42.9353 96.3771 -16.615 128.922 23.8296 8.74542 51.5633 -64.3449 PRESSAVG: 1732800 5.7232 -19.3272 45.3037 -19.3272 -20.3346 0.0979078 45.3036 0.0979013 10.1462 GPRESSAVG: 1732800 4.9509 -17.5792 46.5808 -19.1986 -19.7214 2.0349 44.7219 -0.596501 10.6863 TIMING: 1732800 CPU: 5414.34, 0.0031467/step Wall: 5414.34, 0.0031467/step, 2.85581 hours remaining, 234.820312 MB of memory in use. ENERGY: 1732800 4025.0651 20483.0684 14388.4218 236.4190 -203359.8754 2974.1190 0.0000 0.0000 52193.7713 -109059.0108 299.9583 -161252.7821 -108692.1284 299.5994 -48.3788 -12.5507 763959.4161 -1.4884 -1.3614 PRESSURE: 1733000 -175.922 -185.834 -144.255 -185.834 263.726 -4.30604 -144.255 -4.30602 250.868 GPRESSURE: 1733000 -126.394 -287.188 -99.9925 -158.887 265.199 60.4766 -148.08 -76.748 292.05 PRESSAVG: 1733000 -7.01175 -1.18406 18.4602 -1.18411 22.2224 -36.306 18.4603 -36.3059 5.74818 GPRESSAVG: 1733000 -7.72683 -1.04022 16.693 -1.34347 22.7005 -37.5091 19.9494 -35.089 5.96743 TIMING: 1733000 CPU: 5414.96, 0.00314071/step Wall: 5414.96, 0.00314071/step, 2.8502 hours remaining, 234.820312 MB of memory in use. ENERGY: 1733000 3973.6873 20586.3962 14437.4063 239.1184 -203223.4096 2858.3520 0.0000 0.0000 52081.7438 -109046.7056 299.3145 -161128.4494 -108690.0208 299.2833 112.8907 143.6181 763070.0812 6.9863 6.9804 PRESSURE: 1733200 208.53 -196.195 46.4267 -196.195 282.161 -23.3184 46.4265 -23.3166 94.3308 GPRESSURE: 1733200 202.775 -48.4357 -24.7032 -238.228 327.203 -16.2817 88.718 -172.432 133.877 PRESSAVG: 1733200 10.9105 17.8271 22.0011 17.8271 -25.8209 28.2937 22.0011 28.2938 -7.4119 GPRESSAVG: 1733200 11.1427 16.5613 23.014 17.2632 -26.3218 25.9133 22.8804 28.8406 -6.99655 TIMING: 1733200 CPU: 5415.59, 0.00311745/step Wall: 5415.59, 0.00311745/step, 2.82891 hours remaining, 234.820312 MB of memory in use. ENERGY: 1733200 4020.7113 20498.9371 14445.0206 257.5749 -203202.6689 2947.8589 0.0000 0.0000 52045.4321 -108987.1341 299.1058 -161032.5662 -108633.7613 299.3176 195.0071 221.2849 762613.4144 -7.4408 -7.3919 PRESSURE: 1733400 -128.103 -12.8929 -114.106 -12.8935 94.6526 -108.549 -114.106 -108.548 87.8213 GPRESSURE: 1733400 -73.148 23.9198 -133.719 -21.6359 121.384 -72.7667 -106.541 -29.2929 102.073 PRESSAVG: 1733400 19.7567 4.87908 7.87618 4.8791 -20.8926 -4.46301 7.87612 -4.46302 5.22026 GPRESSAVG: 1733400 19.6235 5.41559 6.3754 6.27284 -21.2867 -2.07804 8.09552 -5.1112 5.43938 TIMING: 1733400 CPU: 5416.21, 0.00312905/step Wall: 5416.21, 0.00312905/step, 2.83926 hours remaining, 234.820312 MB of memory in use. ENERGY: 1733400 4061.1684 20593.4235 14453.3929 275.2758 -203550.0192 3036.4907 0.0000 0.0000 52197.6971 -108932.5707 299.9809 -161130.2679 -108566.0968 299.7475 18.1236 50.1031 763892.7467 1.3614 1.2587 PRESSURE: 1733600 174.962 100.378 47.1474 100.379 66.8934 -110.358 47.1477 -110.358 -86.9069 GPRESSURE: 1733600 212.926 84.1205 69.8235 143.849 65.1096 -119.617 5.78047 -52.5227 -18.8328 PRESSAVG: 1733600 18.8822 33.0861 1.45628 33.0861 9.38734 48.0893 1.45627 48.0894 -7.89911 GPRESSAVG: 1733600 19.0172 32.2185 4.3826 33.3252 8.80597 47.0726 2.14707 49.0636 -7.47204 TIMING: 1733600 CPU: 5416.84, 0.00313346/step Wall: 5416.84, 0.00313346/step, 2.84309 hours remaining, 234.820312 MB of memory in use. ENERGY: 1733600 4059.7663 20559.9769 14431.4733 264.5541 -203459.9281 3016.7863 0.0000 0.0000 52020.4113 -109106.9600 298.9620 -161127.3713 -108746.4343 299.9597 51.6495 86.4009 764138.8221 6.7902 6.7837 PRESSURE: 1733800 -72.7412 -21.2777 -15.8359 -21.278 97.8232 300.466 -15.8354 300.466 103.72 GPRESSURE: 1733800 -159.912 -34.0791 43.4237 16.0861 185.078 299.073 -87.3094 -5.74476 185.674 PRESSAVG: 1733800 -26.7123 33.5918 70.0511 33.5918 -12.4093 -14.6077 70.0511 -14.6076 -12.8969 GPRESSAVG: 1733800 -26.2706 32.987 69.0041 35.7349 -12.2828 -14.9274 67.3568 -16.5742 -13.55 TIMING: 1733800 CPU: 5417.47, 0.003126/step Wall: 5417.47, 0.003126/step, 2.83615 hours remaining, 234.820312 MB of memory in use. ENERGY: 1733800 4054.9058 20534.8738 14557.8107 258.1969 -203835.4494 3185.8909 0.0000 0.0000 52148.4600 -109095.3112 299.6979 -161243.7712 -108734.8028 298.9848 42.9341 70.2802 763977.9477 -17.3395 -17.3678 PRESSURE: 1734000 -279.326 150.592 103.41 150.591 44.6186 -521.186 103.41 -521.186 -26.425 GPRESSURE: 1734000 -102.299 120.37 33.3332 229.871 0.933451 -397.802 16.8408 -442.264 -70.426 PRESSAVG: 1734000 -14.431 9.49757 -10.7799 9.49757 68.6415 -21.071 -10.7799 -21.071 18.0067 GPRESSAVG: 1734000 -14.2495 11.2285 -11.279 7.99494 68.3854 -19.1995 -10.5515 -21.6958 18.1756 TIMING: 1734000 CPU: 5418.09, 0.0031318/step Wall: 5418.09, 0.0031318/step, 2.84124 hours remaining, 234.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1734000 4013.5103 20541.5743 14423.7203 253.2972 -203206.0074 2804.8759 0.0000 0.0000 51844.9813 -109324.0480 297.9538 -161169.0293 -108963.2294 299.1146 -87.0440 -57.2640 764223.0988 24.0724 24.1038 PRESSURE: 1734200 -77.6634 157.333 -86.9241 157.332 196.781 -224.163 -86.9234 -224.162 -150.392 GPRESSURE: 1734200 -49.7279 113.795 6.92174 182.076 268.235 -176.756 -133.916 -150.174 -173.439 PRESSAVG: 1734200 -30.3418 22.4822 1.47247 22.4821 23.4882 -13.3894 1.4725 -13.3894 9.74662 GPRESSAVG: 1734200 -30.7468 20.4765 2.46724 23.6592 23.8571 -15.3771 1.82335 -9.6405 9.84759 TIMING: 1734200 CPU: 5418.72, 0.0031246/step Wall: 5418.72, 0.0031246/step, 2.83454 hours remaining, 234.820312 MB of memory in use. ENERGY: 1734200 3961.1766 20725.6579 14472.6665 235.1306 -202936.0023 2584.1415 0.0000 0.0000 51830.0691 -109127.1601 297.8681 -160957.2292 -108763.3048 298.9797 -10.4247 15.0225 762958.2382 0.9643 0.9860 PRESSURE: 1734400 34.5195 -58.8693 -173.789 -58.8694 -261.442 128.794 -173.789 128.794 77.0552 GPRESSURE: 1734400 -28.9295 -83.9993 -222.768 -144.098 -188.533 137.316 -10.8557 27.4792 135.128 PRESSAVG: 1734400 -27.0107 23.1979 -16.2045 23.1979 36.4904 26.6101 -16.2046 26.6101 -8.38767 GPRESSAVG: 1734400 -26.5561 24.5495 -17.1764 21.8713 37.0098 28.8731 -16.9813 23.931 -9.09621 TIMING: 1734400 CPU: 5419.34, 0.00313509/step Wall: 5419.34, 0.00313509/step, 2.84387 hours remaining, 234.820312 MB of memory in use. ENERGY: 1734400 4003.2115 20451.4972 14392.0954 242.2542 -203417.4206 2863.4106 0.0000 0.0000 51955.6934 -109509.2583 298.5901 -161464.9517 -109149.6648 298.7554 -49.9556 -27.4448 763998.8997 0.3640 0.4525 PRESSURE: 1734600 206.553 -54.3451 50.8042 -54.3447 296.948 153.157 50.8035 153.158 -118.623 GPRESSURE: 1734600 255.273 -80.0142 94.218 -113.199 276.801 182.461 77.8823 219.077 -56.4889 PRESSAVG: 1734600 -25.3582 -14.8155 -11.2617 -14.8155 12.4834 -2.52178 -11.2617 -2.52186 -5.715 GPRESSAVG: 1734600 -26.151 -14.2817 -9.77062 -16.1191 11.8222 -4.53894 -10.9037 -2.11502 -4.69297 TIMING: 1734600 CPU: 5419.97, 0.00312199/step Wall: 5419.97, 0.00312199/step, 2.83182 hours remaining, 234.820312 MB of memory in use. ENERGY: 1734600 3970.5871 20425.4663 14391.9093 231.2944 -203508.3459 3006.0446 0.0000 0.0000 51985.1289 -109497.9154 298.7593 -161483.0443 -109141.3680 298.2996 128.2929 158.5287 763288.6110 -6.1966 -6.3406 PRESSURE: 1734800 -87.1751 -67.2955 39.1544 -67.296 -298.01 52.229 39.1539 52.229 246.075 GPRESSURE: 1734800 -134.403 -73.5772 108.049 -30.2869 -225.078 56.4076 35.1008 52.752 322.118 PRESSAVG: 1734800 23.651 -26.7996 1.80381 -26.7997 9.13792 -7.62347 1.80385 -7.62342 -3.48197 GPRESSAVG: 1734800 24.1623 -26.846 1.3446 -28.4692 8.9622 -6.05445 2.76316 -9.72711 -4.27708 TIMING: 1734800 CPU: 5420.6, 0.00314156/step Wall: 5420.6, 0.00314156/step, 2.8494 hours remaining, 234.820312 MB of memory in use. ENERGY: 1734800 3992.3337 20399.3457 14434.0105 244.7171 -203015.8917 2507.3163 0.0000 0.0000 52129.8343 -109308.3341 299.5909 -161438.1684 -108942.0864 298.5074 -46.3699 -12.4543 762806.8615 9.7690 9.6158 PRESSURE: 1735000 376.669 69.173 20.9217 69.1738 273.047 -185.007 20.9226 -185.007 14.5267 GPRESSURE: 1735000 354.145 41.9408 29.9705 50.9417 264.458 -163.49 -3.74026 -238.484 130.863 PRESSAVG: 1735000 16.2653 -7.71568 -20.9389 -7.71564 -3.50452 12.5681 -20.9389 12.5681 -5.01536 GPRESSAVG: 1735000 15.7063 -8.36464 -20.8402 -4.97122 -3.06431 10.507 -21.5278 15.4838 -5.00436 TIMING: 1735000 CPU: 5421.22, 0.00313405/step Wall: 5421.22, 0.00313405/step, 2.84241 hours remaining, 234.820312 MB of memory in use. ENERGY: 1735000 4013.2136 20516.1395 14460.5153 257.6674 -203444.5518 3117.8398 0.0000 0.0000 51832.3965 -109246.7797 297.8815 -161079.1762 -108888.9444 298.6697 221.4144 249.8217 762568.7182 2.5818 2.5459 PRESSURE: 1735200 -5.41082 -34.9116 -36.3331 -34.9117 265.141 -90.1953 -36.3335 -90.1954 -32.127 GPRESSURE: 1735200 -5.58102 -36.6291 20.9851 6.28073 349.221 -111.693 53.8632 -54.9863 -21.0586 PRESSAVG: 1735200 31.6173 -37.7115 37.0682 -37.7114 -34.8443 14.5593 37.0682 14.5593 0.197437 GPRESSAVG: 1735200 31.935 -37.2883 36.3846 -39.9348 -34.1484 14.8599 36.579 13.7834 -0.80455 TIMING: 1735200 CPU: 5421.85, 0.00313186/step Wall: 5421.85, 0.00313186/step, 2.84025 hours remaining, 234.820312 MB of memory in use. ENERGY: 1735200 3995.6790 20472.4951 14449.7067 246.0689 -202951.2195 2566.9249 0.0000 0.0000 52046.9822 -109173.3626 299.1147 -161220.3448 -108811.0624 298.7814 75.8677 107.5272 761952.5095 -1.0099 -1.0060 PRESSURE: 1735400 -26.3097 -103.463 10.7411 -103.462 256.735 86.3428 10.7415 86.3421 0.384484 GPRESSURE: 1735400 18.5639 -142.427 13.7076 -68.3927 253.928 -44.1856 -108.4 66.748 42.8115 PRESSAVG: 1735400 -12.3996 -5.5734 -20.3758 -5.57336 11.9225 2.87931 -20.3758 2.87936 7.49676 GPRESSAVG: 1735400 -12.3761 -4.64584 -20.6498 -4.3307 11.0285 3.3197 -18.7973 4.10952 8.85311 TIMING: 1735400 CPU: 5422.48, 0.00313533/step Wall: 5422.48, 0.00313533/step, 2.84322 hours remaining, 234.820312 MB of memory in use. ENERGY: 1735400 3964.2932 20586.8735 14443.6286 263.2094 -203513.5850 2833.3277 0.0000 0.0000 52109.8427 -109312.4099 299.4760 -161422.2526 -108955.0970 298.6157 76.9365 105.1011 762562.5536 2.3399 2.5018 PRESSURE: 1735600 130.58 -99.4792 40.6064 -99.4796 -42.8328 46.3985 40.6053 46.3983 129.369 GPRESSURE: 1735600 -8.81546 -136.389 -58.2662 -109.02 65.5264 44.2263 19.2698 45.5434 240.847 PRESSAVG: 1735600 32.7222 -68.9074 -2.05816 -68.9074 -25.7302 19.9266 -2.05822 19.9266 9.72634 GPRESSAVG: 1735600 31.9984 -70.9272 -1.42111 -68.1831 -25.7906 20.5519 -2.91912 16.2341 10.5166 TIMING: 1735600 CPU: 5423.11, 0.00313903/step Wall: 5423.11, 0.00313903/step, 2.8464 hours remaining, 234.820312 MB of memory in use. ENERGY: 1735600 3968.6243 20435.3651 14465.9852 261.1509 -203342.5432 2995.9409 0.0000 0.0000 52371.0998 -108844.3770 300.9774 -161215.4768 -108477.0847 299.5149 72.3722 99.1860 763824.7240 5.5728 5.5748 PRESSURE: 1735800 103.897 -251.755 133.501 -251.755 73.2388 -68.3712 133.501 -68.372 139.218 GPRESSURE: 1735800 164.177 -222.78 163.907 -149.522 107.77 -58.3807 50.5467 -93.3926 131.161 PRESSAVG: 1735800 56.4521 -47.2057 18.6389 -47.2058 -25.5581 -18.5625 18.6389 -18.5624 7.14816 GPRESSAVG: 1735800 56.8561 -46.9295 18.2518 -49.4615 -25.0826 -18.5188 19.6236 -17.3454 6.22195 TIMING: 1735800 CPU: 5423.73, 0.00314873/step Wall: 5423.73, 0.00314873/step, 2.85502 hours remaining, 234.820312 MB of memory in use. ENERGY: 1735800 3909.7876 20504.7059 14455.6246 242.4007 -203386.8880 2924.4866 0.0000 0.0000 52282.8961 -109066.9865 300.4705 -161349.8825 -108699.3978 299.7665 105.4513 134.3693 763499.7910 12.6807 12.6652 PRESSURE: 1736000 154.555 -36.9055 -113.578 -36.9067 -177.248 197.017 -113.577 197.018 329.839 GPRESSURE: 1736000 134.166 -29.0744 -173.717 -54.819 -79.822 152.855 -15.4988 215.897 330.958 PRESSAVG: 1736000 9.7503 -63.9084 3.39866 -63.9083 -4.9494 -13.6745 3.39866 -13.6745 -15.0172 GPRESSAVG: 1736000 9.77791 -63.0622 4.30161 -62.8655 -5.2387 -14.674 2.72777 -12.7096 -14.4439 TIMING: 1736000 CPU: 5424.36, 0.00314368/step Wall: 5424.36, 0.00314368/step, 2.85027 hours remaining, 234.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1736000 3941.9193 20484.7929 14388.7026 282.6674 -203116.9056 2734.9763 0.0000 0.0000 52253.8237 -109030.0234 300.3034 -161283.8470 -108660.5281 299.3935 102.3818 128.4338 763014.9208 -3.4054 -3.3016 PRESSURE: 1736200 65.6594 -220.496 -259.393 -220.497 -122.909 -1.05793 -259.394 -1.05692 157.682 GPRESSURE: 1736200 145.342 -253.476 -275.41 -220.538 -110.319 -44.9638 -157.743 137.946 141.08 PRESSAVG: 1736200 -40.5147 -61.5052 3.6556 -61.5053 69.9353 77.2561 3.65559 77.2561 21.5885 GPRESSAVG: 1736200 -40.2637 -62.2347 2.76811 -61.3189 70.6963 76.8012 4.50446 76.6367 20.2865 TIMING: 1736200 CPU: 5424.99, 0.00312382/step Wall: 5424.99, 0.00312382/step, 2.83209 hours remaining, 234.820312 MB of memory in use. ENERGY: 1736200 3968.3328 20560.7492 14426.8509 256.5623 -202917.8307 2584.0576 0.0000 0.0000 52251.2909 -108869.9870 300.2889 -161121.2780 -108517.5191 300.1279 33.4773 58.7009 761229.8862 17.0030 16.9064 LDB: ============= START OF LOAD BALANCING ============== 5437.47 LDB: ============== END OF LOAD BALANCING =============== 5437.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5437.47 LDB: ============= START OF LOAD BALANCING ============== 5437.78 LDB: Largest compute 6985 load 0.029414 is 15.1% of average load 0.195004 LDB: Average compute 0.004390 is 2.3% of average load 0.195004 LDB: TIME 5437.78 LOAD: AVG 0.195004 MAX 0.214232 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.027 MB LDB: TIME 5437.79 LOAD: AVG 0.195004 MAX 0.214232 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.027 MB LDB: TIME 5437.79 LOAD: AVG 0.195004 MAX 0.214232 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.027 MB LDB: ============== END OF LOAD BALANCING =============== 5437.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5437.79 PRESSURE: 1736400 39.6594 -133.863 181.264 -133.863 -326.895 -294.73 181.263 -294.732 -583.163 GPRESSURE: 1736400 27.0656 -134.551 215.282 -122.862 -233.47 -271.121 114.391 -199.149 -571.641 PRESSAVG: 1736400 7.73361 -31.006 7.28342 -31.006 21.9446 -39.3738 7.28341 -39.3737 1.22639 GPRESSAVG: 1736400 9.51403 -31.1707 7.35952 -31.5649 20.5957 -39.8915 5.13727 -37.2566 0.858936 TIMING: 1736400 CPU: 5425.63, 0.0031925/step Wall: 5425.63, 0.0031925/step, 2.89418 hours remaining, 235.593750 MB of memory in use. ENERGY: 1736400 4057.5199 20615.2761 14424.4434 247.6333 -203052.0145 2605.3716 0.0000 0.0000 52102.1008 -108999.6693 299.4315 -161101.7702 -108634.4410 300.0712 -290.1327 -259.3485 761316.4793 10.3015 10.3229 PRESSURE: 1736600 282.562 -18.1244 110.4 -18.1235 -67.1928 -202.033 110.401 -202.032 186.707 GPRESSURE: 1736600 277.74 -110.472 131.896 -85.548 -0.0417497 -203.095 148.908 -190.831 197.034 PRESSAVG: 1736600 14.3962 -79.482 -1.56059 -79.482 7.22472 -42.7372 -1.56057 -42.7371 18.3584 GPRESSAVG: 1736600 11.9478 -76.6196 -1.51841 -79.7928 9.25678 -39.9784 -2.09087 -45.334 19.0933 TIMING: 1736600 CPU: 5426.25, 0.00313527/step Wall: 5426.25, 0.00313527/step, 2.84212 hours remaining, 235.792969 MB of memory in use. ENERGY: 1736600 3959.3529 20733.3004 14473.4143 252.9708 -203638.2573 2918.3599 0.0000 0.0000 52424.3122 -108876.5467 301.2832 -161300.8589 -108514.4103 300.3026 134.0254 158.2441 760059.6315 13.3264 13.4326 PRESSURE: 1736800 198.377 -6.36963 -338.282 -6.36958 120.722 324.114 -338.282 324.114 -204.074 GPRESSURE: 1736800 275.143 -16.593 -376.096 -39.0857 91.8563 356.013 -373.833 239.528 -171.584 PRESSAVG: 1736800 30.8633 -26.8739 -25.3901 -26.8739 -24.2966 -65.2239 -25.3901 -65.224 -8.2905 GPRESSAVG: 1736800 31.1855 -31.7982 -25.4979 -23.526 -26.0084 -66.6873 -22.5861 -64.1668 -6.91506 TIMING: 1736800 CPU: 5426.88, 0.00311915/step Wall: 5426.88, 0.00311915/step, 2.82734 hours remaining, 235.792969 MB of memory in use. ENERGY: 1736800 3923.3537 20557.4820 14418.4779 257.9552 -203146.3760 2659.5274 0.0000 0.0000 52328.1422 -109001.4376 300.7306 -161329.5799 -108631.6594 300.4740 38.3415 65.1383 761865.1334 -0.5746 -0.5793 PRESSURE: 1737000 18.3405 -60.1435 10.4291 -60.1432 -50.7009 44.5366 10.4297 44.5357 145.577 GPRESSURE: 1737000 15.4863 -23.3699 2.03607 34.9264 46.3472 102.835 -96.6213 -129.733 142.415 PRESSAVG: 1737000 1.16779 -77.9001 -31.5292 -77.9001 -44.1542 -51.4047 -31.5292 -51.4046 21.1597 GPRESSAVG: 1737000 1.80201 -77.0619 -31.2378 -80.3601 -44.5739 -51.1037 -34.0907 -51.4176 20.6537 TIMING: 1737000 CPU: 5427.5, 0.00311603/step Wall: 5427.5, 0.00311603/step, 2.82434 hours remaining, 235.792969 MB of memory in use. ENERGY: 1737000 4018.0764 20501.7333 14504.9708 240.3289 -202994.9363 2603.3445 0.0000 0.0000 52030.6994 -109095.7830 299.0211 -161126.4824 -108728.9181 299.3363 37.7388 68.0828 763671.8940 -7.2756 -7.3727 PRESSURE: 1737200 -85.6045 4.9477 30.4093 4.94776 -98.8027 -66.3246 30.4094 -66.3257 -287.893 GPRESSURE: 1737200 -37.3559 -64.5719 -8.53231 26.2948 -70.6606 -6.6578 91.2377 -71.8038 -293.313 PRESSAVG: 1737200 -5.26865 -18.4418 -81.9246 -18.4418 -10.8383 -23.7505 -81.9246 -23.7505 24.3219 GPRESSAVG: 1737200 -5.35028 -16.8446 -80.6209 -14.9671 -10.2522 -23.1331 -81.326 -23.6572 23.58 TIMING: 1737200 CPU: 5428.12, 0.00311906/step Wall: 5428.12, 0.00311906/step, 2.82691 hours remaining, 235.792969 MB of memory in use. ENERGY: 1737200 4026.0612 20520.4047 14367.9459 250.5180 -203050.5649 2796.1845 0.0000 0.0000 51962.9245 -109126.5261 298.6316 -161089.4507 -108767.4519 299.4899 -157.4334 -133.7765 762912.8892 2.7383 2.6592 PRESSURE: 1737400 310.785 -143.881 -74.3651 -143.881 50.006 -61.9831 -74.3657 -61.9828 373.999 GPRESSURE: 1737400 337.747 -33.5247 -81.6592 -191.287 125.44 -40.121 -18.1201 30.8468 349.224 PRESSAVG: 1737400 -3.67568 -57.7693 6.1336 -57.7693 -23.0781 30.6632 6.13365 30.6631 -10.4833 GPRESSAVG: 1737400 -3.25351 -56.9616 5.34994 -60.5779 -23.22 29.8687 7.82644 32.0217 -10.6758 TIMING: 1737400 CPU: 5428.75, 0.00312676/step Wall: 5428.75, 0.00312676/step, 2.83371 hours remaining, 235.792969 MB of memory in use. ENERGY: 1737400 3914.6625 20515.1587 14442.1817 240.5196 -203128.2285 2763.3836 0.0000 0.0000 51953.8553 -109298.4671 298.5795 -161252.3224 -108946.3948 299.0180 244.9297 270.8035 762829.3581 -12.4124 -12.3831 PRESSURE: 1737600 -193.413 -189.099 242.96 -189.099 59.05 84.6489 242.96 84.6481 -14.6492 GPRESSURE: 1737600 -182.664 -114.769 196.916 -301.099 42.0944 138.859 223.988 112.619 62.4117 PRESSAVG: 1737600 -11.3921 -51.9131 -27.2245 -51.9131 -0.338582 -45.4794 -27.2245 -45.4794 17.3448 GPRESSAVG: 1737600 -11.5969 -53.6128 -27.6237 -51.5037 0.146704 -46.4935 -29.4277 -44.1687 17.591 TIMING: 1737600 CPU: 5429.38, 0.00312912/step Wall: 5429.38, 0.00312912/step, 2.83568 hours remaining, 235.792969 MB of memory in use. ENERGY: 1737600 3984.3982 20540.7846 14421.4428 248.2013 -202959.1794 2515.6299 0.0000 0.0000 51894.6167 -109354.1058 298.2391 -161248.7225 -108996.6505 299.0375 -49.6707 -26.0525 764241.1986 1.8714 2.0469 PRESSURE: 1737800 91.0732 186.328 84.195 186.328 226.677 42.2884 84.1949 42.2879 165.069 GPRESSURE: 1737800 207.157 263.338 89.7308 220.013 196.376 18.6338 133.078 -21.8253 168.961 PRESSAVG: 1737800 -40.7145 -38.3433 37.4885 -38.3433 51.5382 -3.62528 37.4885 -3.62528 -23.1916 GPRESSAVG: 1737800 -39.5992 -38.8944 36.8174 -36.9256 49.793 -4.06699 38.41 -3.81783 -23.033 TIMING: 1737800 CPU: 5430, 0.00312462/step Wall: 5430, 0.00312462/step, 2.83143 hours remaining, 235.792969 MB of memory in use. ENERGY: 1737800 3922.5567 20479.9677 14436.5820 246.7430 -203256.3862 2915.8765 0.0000 0.0000 51924.0872 -109330.5731 298.4084 -161254.6603 -108974.8285 298.4605 160.9398 190.8317 763296.1947 -4.1226 -4.2797 PRESSURE: 1738000 202.731 -18.3867 40.4612 -18.3857 28.2213 -45.8333 40.4617 -45.8337 -33.2406 GPRESSURE: 1738000 316.2 -54.326 -77.589 20.2086 24.8198 -6.49558 -5.02344 -78.0286 -41.1206 PRESSAVG: 1738000 -7.7183 -54.6485 -28.274 -54.6485 14.4684 -6.13101 -28.274 -6.131 15.8448 GPRESSAVG: 1738000 -8.54412 -52.6355 -27.999 -57.1286 16.3711 -4.91554 -28.2729 -8.36064 14.8771 TIMING: 1738000 CPU: 5430.62, 0.0031158/step Wall: 5430.62, 0.0031158/step, 2.82326 hours remaining, 235.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1738000 3982.8738 20418.4916 14483.3823 259.4165 -203543.1332 2933.4735 0.0000 0.0000 52172.3809 -109293.1147 299.8354 -161465.4955 -108936.5231 299.1431 65.9039 99.9664 762195.5828 7.5316 7.5680 PRESSURE: 1738200 93.3778 46.5525 103.422 46.5524 -58.1259 -84.0041 103.422 -84.0039 -209.344 GPRESSURE: 1738200 97.2399 6.70993 80.7935 127.425 57.7618 -29.1363 168.519 -111.439 -260.951 PRESSAVG: 1738200 13.4056 -22.9813 24.0392 -22.9813 12.7575 -57.1632 24.0391 -57.1632 -1.6863 GPRESSAVG: 1738200 13.1757 -25.5587 25.1907 -20.3476 12.0158 -57.6057 23.9956 -56.1277 -1.18397 TIMING: 1738200 CPU: 5431.25, 0.00311989/step Wall: 5431.25, 0.00311989/step, 2.82679 hours remaining, 235.792969 MB of memory in use. ENERGY: 1738200 3969.3545 20399.5273 14479.8677 249.5750 -203448.6306 2817.2062 0.0000 0.0000 52142.1069 -109390.9931 299.6614 -161533.1000 -109019.6153 298.6725 -58.0308 -35.3164 764411.0599 8.1589 8.0025 PRESSURE: 1738400 -124.161 47.1771 -129.194 47.1775 -6.10396 193.917 -129.194 193.917 150.144 GPRESSURE: 1738400 -64.008 58.9799 -196.403 -64.2457 18.5823 212.629 -132.372 183.978 157.034 PRESSAVG: 1738400 -2.28499 -51.8423 50.7476 -51.8424 -23.9766 -8.2905 50.7476 -8.29054 -3.20498 GPRESSAVG: 1738400 -0.989411 -50.4671 50.2791 -55.0722 -26.1891 -7.73328 49.5705 -10.7584 -2.60408 TIMING: 1738400 CPU: 5431.87, 0.00311501/step Wall: 5431.87, 0.00311501/step, 2.8222 hours remaining, 235.792969 MB of memory in use. ENERGY: 1738400 4046.3596 20449.6717 14401.9930 257.2001 -203803.9029 3004.0868 0.0000 0.0000 52082.6583 -109561.9335 299.3198 -161644.5918 -109203.7102 298.4966 6.6261 37.2027 763577.0876 -9.8222 -9.9275 PRESSURE: 1738600 -392.503 -73.6502 -118.911 -73.6501 -501.362 96.5384 -118.911 96.5385 -17.7565 GPRESSURE: 1738600 -365.245 -41.1614 -115.522 -63.9945 -352.286 4.02176 -13.8207 141.785 -98.6965 PRESSAVG: 1738600 31.0438 -8.68078 13.842 -8.68079 -48.0304 28.5456 13.842 28.5456 13.9246 GPRESSAVG: 1738600 29.5343 -8.77722 12.6256 -6.00673 -46.491 28.2452 15.1182 30.4264 13.5786 TIMING: 1738600 CPU: 5432.5, 0.00312682/step Wall: 5432.5, 0.00312682/step, 2.83273 hours remaining, 235.792969 MB of memory in use. ENERGY: 1738600 3938.2835 20430.1206 14523.5714 242.2911 -203374.2271 2494.2124 0.0000 0.0000 52016.0275 -109729.7207 298.9368 -161745.7482 -109358.1168 299.0491 -303.8739 -272.0758 764068.3060 -1.0207 -1.1260 PRESSURE: 1738800 53.0453 -27.6893 49.967 -27.6886 121.468 116.517 49.9673 116.517 428.674 GPRESSURE: 1738800 112.021 -107.777 -32.497 39.3976 107.779 161.405 45.4804 25.3415 453.136 PRESSAVG: 1738800 -12.5189 -5.43619 -22.012 -5.43618 22.76 8.76464 -22.0119 8.76467 7.66481 GPRESSAVG: 1738800 -12.9308 -4.9541 -20.3223 -7.21597 23.5594 9.44908 -23.3186 7.68754 7.38569 TIMING: 1738800 CPU: 5433.12, 0.00313416/step Wall: 5433.12, 0.00313416/step, 2.8392 hours remaining, 235.792969 MB of memory in use. ENERGY: 1738800 3987.1973 20401.3080 14461.9144 263.7640 -203389.1541 2688.8229 0.0000 0.0000 51838.2839 -109747.8638 297.9153 -161586.1477 -109389.7538 298.2334 201.0626 224.3123 763122.6876 5.9686 6.0048 PRESSURE: 1739000 -115.349 -116.803 -64.2577 -116.803 -57.3011 98.9476 -64.2577 98.9478 -26.2537 GPRESSURE: 1739000 -69.3781 -16.2247 -72.7943 -137.364 -77.4403 84.6337 -89.0556 211.887 31.2237 PRESSAVG: 1739000 -16.815 -17.4633 -50.8705 -17.4633 -20.0239 27.2003 -50.8705 27.2003 34.0356 GPRESSAVG: 1739000 -16.8295 -17.8295 -53.2672 -16.93 -21.86 26.3259 -48.9494 29.5597 35.7405 TIMING: 1739000 CPU: 5433.75, 0.00312089/step Wall: 5433.75, 0.00312089/step, 2.82701 hours remaining, 235.792969 MB of memory in use. ENERGY: 1739000 4007.3222 20606.6624 14425.4357 246.1127 -203259.5378 2574.2070 0.0000 0.0000 51763.1011 -109636.6967 297.4833 -161399.7979 -109281.7416 297.9705 -66.3012 -38.5316 762581.5630 -0.9344 -0.9830 PRESSURE: 1739200 103.762 145.859 -51.0692 145.858 269.011 -180.34 -51.0689 -180.34 -301.163 GPRESSURE: 1739200 125.169 29.7247 -40.5629 148.48 288.311 -227.188 -91.9014 -217.357 -248.098 PRESSAVG: 1739200 2.74682 -4.20258 -59.0515 -4.20258 15.9856 26.2263 -59.0515 26.2263 -5.38136 GPRESSAVG: 1739200 2.74425 -3.20133 -57.2822 -3.71065 17.0626 25.9643 -59.0825 24.4684 -6.72606 TIMING: 1739200 CPU: 5434.38, 0.00313958/step Wall: 5434.38, 0.00313958/step, 2.84376 hours remaining, 235.792969 MB of memory in use. ENERGY: 1739200 4068.2322 20343.0013 14476.8136 259.4859 -203690.4182 2933.9574 0.0000 0.0000 51940.6019 -109668.3258 298.5034 -161608.9277 -109309.8225 298.4987 23.8695 55.1272 763120.9025 4.4504 4.3603 PRESSURE: 1739400 9.36689 -20.4064 -23.5716 -20.4054 -241.164 117.168 -23.5719 117.168 -1.87411 GPRESSURE: 1739400 -2.07426 71.513 -53.7317 57.4207 -194.529 162.335 41.5726 -50.8244 29.1262 PRESSAVG: 1739400 6.96239 32.0909 -26.6508 32.091 0.0407431 20.4912 -26.6507 20.4912 22.7421 GPRESSAVG: 1739400 7.13481 30.18 -27.4681 32.0776 0.0308506 19.2343 -27.3229 21.5534 22.1811 TIMING: 1739400 CPU: 5435, 0.00311909/step Wall: 5435, 0.00311909/step, 2.82503 hours remaining, 235.792969 MB of memory in use. ENERGY: 1739400 4000.8613 20428.9896 14439.9844 270.8588 -203213.7958 2604.3404 0.0000 0.0000 51821.8915 -109646.8697 297.8211 -161468.7613 -109285.6523 298.4749 -77.8903 -55.8258 764402.6577 9.9151 9.7823 PRESSURE: 1739600 246.695 154.183 109.539 154.182 387.735 147.097 109.539 147.096 685.306 GPRESSURE: 1739600 311.953 165.602 170.001 151.83 429.352 217.706 -3.97136 242.68 657.079 PRESSAVG: 1739600 14.5395 -9.9101 -6.62299 -9.91014 -3.79306 5.60729 -6.62301 5.6073 -16.4602 GPRESSAVG: 1739600 14.8964 -9.63904 -5.45165 -9.70946 -3.86317 6.30021 -5.80052 4.67157 -17.0726 TIMING: 1739600 CPU: 5435.63, 0.00314167/step Wall: 5435.63, 0.00314167/step, 2.84531 hours remaining, 235.792969 MB of memory in use. ENERGY: 1739600 3947.3568 20509.9947 14456.9975 258.6576 -203839.2447 3158.2792 0.0000 0.0000 51861.4348 -109646.5241 298.0484 -161507.9589 -109291.2541 298.2514 439.9121 466.1281 761586.8928 -1.9046 -2.0131 PRESSURE: 1739800 -400.05 90.7251 -147.864 90.7252 -225.024 -32.2925 -147.864 -32.2922 -66.9926 GPRESSURE: 1739800 -365.736 227.963 -158.518 85.99 -85.6902 -12.2968 -202.061 -56.7941 -150.208 PRESSAVG: 1739800 -11.9089 -9.25446 6.4465 -9.2545 -16.1814 -30.2391 6.44656 -30.2391 -16.2375 GPRESSAVG: 1739800 -10.4004 -8.46491 5.96725 -9.19208 -16.6712 -31.3444 5.91007 -30.026 -17.3208 TIMING: 1739800 CPU: 5436.25, 0.00313383/step Wall: 5436.25, 0.00313383/step, 2.83803 hours remaining, 235.792969 MB of memory in use. ENERGY: 1739800 3956.2062 20598.4413 14393.7409 256.6038 -203267.1580 2502.7196 0.0000 0.0000 52003.1056 -109556.3407 298.8626 -161559.4463 -109207.4410 298.6975 -230.6890 -200.5448 763407.4164 -14.7759 -14.7975 PRESSURE: 1740000 -2.51584 -168.205 -31.666 -168.205 182.942 -91.142 -31.666 -91.1415 76.8506 GPRESSURE: 1740000 36.2401 -164.589 -59.9529 -169.728 169.461 -59.0814 195.774 -40.3185 140.461 PRESSAVG: 1740000 -3.24034 -56.6207 16.1644 -56.6206 15.8475 -4.79727 16.1644 -4.79731 18.0253 GPRESSAVG: 1740000 -5.55667 -56.7398 15.1361 -58.0224 16.3777 -4.16306 18.4257 -3.49655 19.6083 TIMING: 1740000 CPU: 5436.88, 0.00312046/step Wall: 5436.88, 0.00312046/step, 2.82575 hours remaining, 235.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1740000 4032.6438 20596.2166 14407.9028 239.3831 -203690.4201 2884.8191 0.0000 0.0000 51879.9903 -109649.4643 298.1550 -161529.4546 -109286.3824 298.0245 85.7589 115.3873 763989.9117 10.2108 10.1431 PRESSURE: 1740200 -305.973 -130.508 -246.709 -130.508 259.645 174.055 -246.71 174.056 292.486 GPRESSURE: 1740200 -192.322 -110.081 -252.658 46.509 192.417 198.917 -270.751 154.089 328.277 PRESSAVG: 1740200 -64.1288 -8.76721 -31.6241 -8.76722 56.8085 43.5662 -31.6242 43.5661 12.8937 GPRESSAVG: 1740200 -62.4715 -8.92344 -31.1831 -6.80613 55.4938 44.0535 -32.9943 42.3198 12.3176 TIMING: 1740200 CPU: 5437.51, 0.00314201/step Wall: 5437.51, 0.00314201/step, 2.84509 hours remaining, 235.792969 MB of memory in use. ENERGY: 1740200 3992.5399 20479.8128 14432.7727 254.1041 -203369.2455 2704.1032 0.0000 0.0000 51932.9329 -109572.9801 298.4593 -161505.9130 -109214.6499 298.1011 82.0526 109.4573 760648.2519 1.8578 1.7800 LDB: ============= START OF LOAD BALANCING ============== 5449.99 LDB: ============== END OF LOAD BALANCING =============== 5449.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5449.99 LDB: ============= START OF LOAD BALANCING ============== 5450.3 LDB: Largest compute 6972 load 0.029833 is 15.3% of average load 0.195073 LDB: Average compute 0.004391 is 2.3% of average load 0.195073 LDB: TIME 5450.31 LOAD: AVG 0.195073 MAX 0.217157 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.309 MB LDB: TIME 5450.31 LOAD: AVG 0.195073 MAX 0.217157 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.516 MB LDB: TIME 5450.31 LOAD: AVG 0.195073 MAX 0.217157 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.516 MB LDB: ============== END OF LOAD BALANCING =============== 5450.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5450.31 PRESSURE: 1740400 359.593 221.123 -54.8718 221.123 507.984 144.534 -54.8723 144.534 243.652 GPRESSURE: 1740400 285.425 266.877 78.9964 130.753 598.926 49.1223 -64.9112 132.229 293.362 PRESSAVG: 1740400 -4.86066 87.6599 14.7648 87.66 -5.36173 22.1586 14.7648 22.1586 -6.01796 GPRESSAVG: 1740400 -5.03753 87.255 15.8102 87.0626 -3.56081 21.0462 13.0055 22.1547 -7.38997 TIMING: 1740400 CPU: 5438.15, 0.00320704/step Wall: 5438.15, 0.00320704/step, 2.90379 hours remaining, 234.050781 MB of memory in use. ENERGY: 1740400 3942.9790 20524.5073 14447.1131 253.8102 -203386.4177 2829.9287 0.0000 0.0000 52073.8442 -109314.2353 299.2691 -161388.0795 -108950.8944 298.6692 370.4098 392.5710 759970.6873 -5.4134 -5.3294 PRESSURE: 1740600 -251.549 70.4112 29.8592 70.4117 -68.4774 -92.4101 29.8583 -92.4102 -431.472 GPRESSURE: 1740600 -152.179 112.819 54.9773 39.6532 -130.017 -110.659 -27.0552 -43.0635 -391.934 PRESSAVG: 1740600 -54.9973 67.5745 20.8585 67.5745 35.8286 5.52615 20.8585 5.52622 -18.2576 GPRESSAVG: 1740600 -56.1795 66.8318 18.757 68.5771 35.6596 7.34363 20.9395 5.06568 -16.5945 TIMING: 1740600 CPU: 5438.77, 0.00310578/step Wall: 5438.77, 0.00310578/step, 2.81194 hours remaining, 234.050781 MB of memory in use. ENERGY: 1740600 4010.2040 20602.6689 14448.7924 251.2405 -203323.0657 2448.1482 0.0000 0.0000 52020.7778 -109541.2339 298.9641 -161562.0116 -109175.8088 298.6853 -250.4995 -224.7103 761621.8373 -12.4754 -12.3715 PRESSURE: 1740800 -272.707 -24.8062 -346.293 -24.8062 32.2209 -90.4737 -346.292 -90.474 262.092 GPRESSURE: 1740800 -151.306 113.402 -282.304 -71.1996 67.8524 -112.102 -416.398 -113.158 181.935 PRESSAVG: 1740800 -14.5925 23.0194 -2.15287 23.0194 -5.09993 18.8875 -2.15289 18.8874 21.8835 GPRESSAVG: 1740800 -13.1049 23.8584 -0.317764 23.1007 -5.60771 17.0507 -3.25668 20.9321 21.1543 TIMING: 1740800 CPU: 5439.4, 0.00313785/step Wall: 5439.4, 0.00313785/step, 2.8408 hours remaining, 234.050781 MB of memory in use. ENERGY: 1740800 4052.6403 20487.2017 14465.1765 258.2476 -203567.3603 2927.1433 0.0000 0.0000 52017.8447 -109359.1062 298.9473 -161376.9509 -108998.6882 298.7506 7.2020 32.8272 762205.9118 0.7304 0.8139 PRESSURE: 1741000 143.467 66.3655 131.937 66.3656 -118.114 143.214 131.936 143.215 -288.723 GPRESSURE: 1741000 169.74 50.1764 104.643 147.05 -67.8194 14.9444 152.663 47.3317 -277.048 PRESSAVG: 1741000 5.17433 18.9436 -25.5624 18.9435 23.6267 -32.5709 -25.5625 -32.5709 -3.35852 GPRESSAVG: 1741000 4.89598 16.9121 -26.9858 17.9209 23.5491 -31.7705 -25.642 -33.1527 -3.02098 TIMING: 1741000 CPU: 5440.02, 0.00311924/step Wall: 5440.02, 0.00311924/step, 2.82378 hours remaining, 234.050781 MB of memory in use. ENERGY: 1741000 3988.1249 20734.0781 14471.0507 246.6748 -203822.8646 2989.0623 0.0000 0.0000 51915.2668 -109478.6071 298.3578 -161393.8739 -109123.2594 298.6477 -87.7898 -58.3759 763401.0238 8.4808 8.4747 PRESSURE: 1741200 -241.037 160.321 -1.66299 160.322 -89.1986 -73.9035 -1.66323 -73.9052 -101.376 GPRESSURE: 1741200 -170.809 142.295 0.745023 -12.5087 -63.8487 -24.9227 7.88658 15.098 -124.338 PRESSAVG: 1741200 -15.8168 -13.2642 -26.8429 -13.2643 -9.86134 -52.9524 -26.8428 -52.9525 32.8415 GPRESSAVG: 1741200 -16.09 -10.2224 -25.9435 -14.2037 -9.04137 -52.1462 -26.5966 -51.9963 32.6537 TIMING: 1741200 CPU: 5440.65, 0.00312598/step Wall: 5440.65, 0.00312598/step, 2.8297 hours remaining, 234.050781 MB of memory in use. ENERGY: 1741200 3980.4133 20549.0727 14447.1827 236.4222 -203580.0135 2872.9838 0.0000 0.0000 52022.5318 -109471.4070 298.9742 -161493.9388 -109111.8372 298.7591 -143.8707 -119.6652 762987.1672 2.3878 2.5075 PRESSURE: 1741400 151.4 28.8924 -13.8033 28.8924 130.451 -31.2682 -13.8035 -31.2683 -305.766 GPRESSURE: 1741400 169.398 -59.2435 -77.3831 18.1093 158.527 -37.8411 -39.0853 -46.6852 -267.473 PRESSAVG: 1741400 -12.5107 33.7614 24.5815 33.7614 26.9133 -23.5471 24.5815 -23.547 -23.5882 GPRESSAVG: 1741400 -13.9667 33.642 25.3582 34.2671 28.5127 -23.6501 24.661 -25.8906 -23.1527 TIMING: 1741400 CPU: 5441.27, 0.00312829/step Wall: 5441.27, 0.00312829/step, 2.83162 hours remaining, 234.050781 MB of memory in use. ENERGY: 1741400 3894.8771 20674.0259 14441.0423 252.8984 -203846.9519 3122.1499 0.0000 0.0000 51573.0466 -109888.9116 296.3910 -161461.9582 -109528.3828 298.2926 -7.9718 20.1505 763395.0170 -3.0619 -2.8689 PRESSURE: 1741600 103.617 102.186 -90.1999 102.184 -66.72 -188.644 -90.1996 -188.645 146.337 GPRESSURE: 1741600 136.842 -6.64912 -24.3685 3.48917 11.2658 -148.976 -25.2656 -70.2248 110.847 PRESSAVG: 1741600 -29.1577 16.2978 26.7944 16.2978 39.9012 -62.7747 26.7944 -62.7747 5.22348 GPRESSAVG: 1741600 -28.0455 16.4991 25.3928 16.1467 39.247 -62.3691 26.6096 -60.5246 5.27731 TIMING: 1741600 CPU: 5441.9, 0.00315228/step Wall: 5441.9, 0.00315228/step, 2.85316 hours remaining, 234.050781 MB of memory in use. ENERGY: 1741600 3993.4499 20548.5448 14485.7631 251.1729 -203806.1201 2946.2937 0.0000 0.0000 51856.8092 -109724.0864 298.0218 -161580.8957 -109363.1517 297.9693 61.0779 86.3184 763115.8443 5.3223 5.4929 PRESSURE: 1741800 125.991 -19.777 -78.369 -19.7765 -252.854 67.9239 -78.3705 67.9245 98.0676 GPRESSURE: 1741800 146.873 -81.1911 -164.014 -19.6292 -167.278 20.5931 -122.646 178.768 74.3043 PRESSAVG: 1741800 54.0121 21.2334 -10.7063 21.2334 -25.8122 -39.9186 -10.7064 -39.9185 -15.5764 GPRESSAVG: 1741800 54.3659 24.3405 -9.93773 21.1379 -26.1447 -41.6069 -11.3511 -39.5363 -15.8968 TIMING: 1741800 CPU: 5442.52, 0.00311386/step Wall: 5442.52, 0.00311386/step, 2.81821 hours remaining, 234.050781 MB of memory in use. ENERGY: 1741800 3975.4470 20521.4922 14490.5429 270.6240 -203043.9666 2582.0446 0.0000 0.0000 51816.8366 -109386.9792 297.7921 -161203.8158 -109021.5960 298.2329 -9.5984 17.9666 762070.8959 4.2078 4.1082 PRESSURE: 1742000 -310.813 -30.7313 78.5112 -30.7316 -236.747 100.183 78.5114 100.184 148.262 GPRESSURE: 1742000 -249.623 -65.9245 118.907 -157.562 -234.483 1.88218 160.838 99.4449 165.315 PRESSAVG: 1742000 -24.9384 -1.4391 22.4692 -1.43915 19.8526 -18.9386 22.4692 -18.9386 8.97797 GPRESSAVG: 1742000 -24.6653 -2.76049 21.0677 -0.124697 19.8947 -18.3487 23.9589 -20.3679 8.45091 TIMING: 1742000 CPU: 5443.15, 0.00313152/step Wall: 5443.15, 0.00313152/step, 2.83403 hours remaining, 234.050781 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: 1742000 4004.7185 20412.1921 14489.4990 239.1510 -203302.3208 2633.1144 0.0000 0.0000 52317.4665 -109206.1792 300.6692 -161523.6457 -108840.8533 299.4105 -133.0993 -106.2638 761954.9756 1.2974 1.2268 PRESSURE: 1742200 -33.9617 -16.9023 26.4975 -16.902 141.927 -108.534 26.497 -108.533 -409.919 GPRESSURE: 1742200 -29.4292 -35.8219 45.1901 163.329 160.196 -98.5282 -6.76986 -100.996 -361.353 PRESSAVG: 1742200 4.27396 -22.3526 -3.71002 -22.3526 6.23573 32.4011 -3.71002 32.4011 7.07262 GPRESSAVG: 1742200 4.23042 -22.5517 -1.87673 -23.1671 5.66326 30.9812 -4.22564 32.7935 7.67408 TIMING: 1742200 CPU: 5443.78, 0.00312434/step Wall: 5443.78, 0.00312434/step, 2.82735 hours remaining, 234.050781 MB of memory in use. ENERGY: 1742200 4051.0933 20560.7285 14439.4051 240.9519 -203544.9705 2907.4992 0.0000 0.0000 52165.0834 -109180.2091 299.7935 -161345.2925 -108814.5045 299.4671 -100.6512 -76.8624 762115.5416 5.8608 5.8559 PRESSURE: 1742400 117.455 -146.598 27.9466 -146.599 -88.6633 48.4502 27.9466 48.4487 109.372 GPRESSURE: 1742400 139.845 -90.5163 2.96788 -179.506 28.9783 41.4627 41.5104 125.219 53.7416 PRESSAVG: 1742400 17.6597 25.287 -23.0396 25.287 -25.6108 5.75865 -23.0396 5.75872 12.4131 GPRESSAVG: 1742400 17.9091 25.1567 -26.3587 26.767 -25.4361 7.40466 -20.884 5.73353 11.8888 TIMING: 1742400 CPU: 5444.4, 0.00311335/step Wall: 5444.4, 0.00311335/step, 2.81724 hours remaining, 234.050781 MB of memory in use. ENERGY: 1742400 4020.1761 20544.3084 14354.7719 251.2745 -202950.3976 2746.7832 0.0000 0.0000 52102.0404 -108931.0430 299.4311 -161033.0834 -108567.6720 299.3734 46.0544 74.1881 763741.0189 1.4873 1.4539 PRESSURE: 1742600 67.7668 135.413 6.39344 135.413 380.984 88.1375 6.39292 88.1381 143.475 GPRESSURE: 1742600 156.393 143.506 56.1036 68.325 317.43 140.928 24.6588 26.3379 206.876 PRESSAVG: 1742600 -7.85982 -0.819539 3.75271 -0.819543 34.1809 -34.5163 3.75267 -34.5163 18.384 GPRESSAVG: 1742600 -8.32593 -2.89634 6.11176 -0.847501 34.7051 -35.4389 2.21131 -34.3739 18.5235 TIMING: 1742600 CPU: 5445.02, 0.00312542/step Wall: 5445.02, 0.00312542/step, 2.82798 hours remaining, 234.050781 MB of memory in use. ENERGY: 1742600 3954.1621 20534.6230 14453.0441 248.0710 -203388.8085 2878.0008 0.0000 0.0000 52449.4402 -108871.4673 301.4277 -161320.9075 -108501.9090 300.0040 197.4085 226.8996 761616.6555 14.9017 14.9676 PRESSURE: 1742800 -36.3171 -58.0392 143.817 -58.0397 499.396 68.9585 143.817 68.9571 -121.164 GPRESSURE: 1742800 93.2044 -99.7259 67.9364 -25.5269 391.927 68.6732 164.808 81.0281 -52.5972 PRESSAVG: 1742800 -85.5417 -34.808 -25.1482 -34.808 75.0547 -15.3171 -25.1482 -15.3172 8.1668 GPRESSAVG: 1742800 -85.1722 -34.6705 -25.163 -32.6017 73.7295 -15.1504 -25.1844 -17.0575 9.32052 TIMING: 1742800 CPU: 5445.65, 0.00313171/step Wall: 5445.65, 0.00313171/step, 2.8335 hours remaining, 234.050781 MB of memory in use. ENERGY: 1742800 4026.9717 20572.6838 14483.7740 259.4091 -203242.0953 2913.7960 0.0000 0.0000 51950.5796 -109034.8812 298.5607 -160985.4607 -108681.3591 299.4465 113.9716 144.1779 762458.7281 -0.7734 -0.7074 PRESSURE: 1743000 -13.7998 113.133 -23.8443 113.133 54.974 -77.7294 -23.8433 -77.728 2.34413 GPRESSURE: 1743000 37.0757 19.4739 -18.0891 46.5617 69.2374 -45.1137 -76.8304 54.2899 28.8363 PRESSAVG: 1743000 -22.427 -50.7603 -37.3308 -50.7604 3.58886 -1.74709 -37.3307 -1.74702 -12.7884 GPRESSAVG: 1743000 -24.2892 -51.1562 -36.107 -52.6191 4.90684 -0.103895 -39.2982 -0.507064 -12.8325 TIMING: 1743000 CPU: 5446.28, 0.00313994/step Wall: 5446.28, 0.00313994/step, 2.84078 hours remaining, 234.050781 MB of memory in use. ENERGY: 1743000 3992.9632 20447.7425 14504.5781 241.7303 -202838.8549 2683.4171 0.0000 0.0000 52126.4284 -108841.9953 299.5713 -160968.4237 -108476.9492 299.2816 14.5061 45.0498 762724.4355 -10.5422 -10.7383 PRESSURE: 1743200 -200.765 -58.3726 126.328 -58.3726 171.165 190.052 126.328 190.052 -500.175 GPRESSURE: 1743200 -170.052 79.9968 146.978 70.5895 97.1494 238.984 155.788 97.9658 -373.842 PRESSAVG: 1743200 -67.8731 -11.3661 -24.9869 -11.366 28.2249 48.994 -24.9869 48.9941 -0.49485 GPRESSAVG: 1743200 -66.3124 -10.8036 -26.4426 -12.5053 26.795 47.4228 -22.3679 50.4329 -0.490923 TIMING: 1743200 CPU: 5446.9, 0.00313116/step Wall: 5446.9, 0.00313116/step, 2.83266 hours remaining, 234.050781 MB of memory in use. ENERGY: 1743200 4009.0116 20648.8342 14482.7473 237.8883 -202991.5561 2563.8544 0.0000 0.0000 52079.6492 -108969.5710 299.3025 -161049.2202 -108615.7371 299.9329 -176.5914 -148.9148 765166.1338 -13.3810 -13.3361 PRESSURE: 1743400 103.246 -103.157 -17.0263 -103.156 -41.5633 -214.455 -17.0277 -214.456 210.74 GPRESSURE: 1743400 102.091 2.99991 28.334 -190.481 -14.9477 -124.956 -16.2114 -81.0264 253.814 PRESSAVG: 1743400 -71.2621 -61.584 -20.6197 -61.584 72.4084 0.722643 -20.6197 0.722566 34.0028 GPRESSAVG: 1743400 -71.2564 -62.1806 -19.0983 -58.8932 73.646 0.921323 -21.9971 -1.71794 32.9203 TIMING: 1743400 CPU: 5447.53, 0.00313728/step Wall: 5447.53, 0.00313728/step, 2.83802 hours remaining, 234.050781 MB of memory in use. ENERGY: 1743400 3978.4427 20703.2841 14435.6575 235.7739 -203323.9773 2899.0950 0.0000 0.0000 51930.3046 -109141.4196 298.4442 -161071.7241 -108785.5572 299.7171 90.8074 113.6523 764186.8316 11.7163 11.7700 PRESSURE: 1743600 -376.472 58.8206 29.6251 58.8213 -71 226.86 29.6263 226.86 51.9951 GPRESSURE: 1743600 -351.408 73.5331 65.3989 -19.1892 -47.9742 210.589 -38.9127 189.109 75.5925 PRESSAVG: 1743600 -58.9682 -49.1395 9.3101 -49.1395 26.8317 3.30916 9.31017 3.30916 -29.3849 GPRESSAVG: 1743600 -59.9803 -50.0533 8.31999 -51.2431 27.1849 1.33909 11.1802 4.50324 -28.5101 TIMING: 1743600 CPU: 5448.16, 0.00315051/step Wall: 5448.16, 0.00315051/step, 2.84981 hours remaining, 234.050781 MB of memory in use. ENERGY: 1743600 4044.8754 20525.3874 14477.5076 258.7823 -202985.9285 2623.5738 0.0000 0.0000 52041.9200 -109013.8820 299.0856 -161055.8020 -108648.7432 299.0892 -131.8257 -107.9298 764015.7255 -20.5071 -20.4351 PRESSURE: 1743800 359.159 51.9399 -55.8388 51.9397 32.4251 25.7795 -55.8399 25.7804 296.461 GPRESSURE: 1743800 376.67 -16.5287 4.00465 19.5069 49.0675 1.60332 -26.6543 -62.7737 347.466 PRESSAVG: 1743800 -61.3806 13.1301 54.944 13.1301 44.0547 -16.9326 54.9441 -16.9326 -17.0309 GPRESSAVG: 1743800 -61.4062 13.4225 56.0424 12.4417 45.6889 -14.728 53.3637 -17.7373 -17.8622 TIMING: 1743800 CPU: 5448.79, 0.0031308/step Wall: 5448.79, 0.0031308/step, 2.83181 hours remaining, 234.050781 MB of memory in use. ENERGY: 1743800 4008.7203 20532.3900 14458.1274 225.8602 -203159.4104 2934.8765 0.0000 0.0000 51923.4669 -109075.9690 298.4049 -160999.4359 -108710.9759 299.4441 229.3484 257.7347 761975.1972 -11.4523 -11.1931 PRESSURE: 1744000 24.2022 -184.294 -146.14 -184.294 56.1513 -97.6768 -146.14 -97.6758 -299.498 GPRESSURE: 1744000 -63.7587 -220.954 -178.74 -225.466 198.318 -98.9693 -95.1658 3.46172 -263.139 PRESSAVG: 1744000 -40.203 37.4025 14.2887 37.4025 73.1124 -17.394 14.2887 -17.3939 -15.0446 GPRESSAVG: 1744000 -40.2425 38.0652 14.54 38.8568 72.7094 -16.6587 13.8287 -16.7364 -14.3952 TIMING: 1744000 CPU: 5449.41, 0.00312084/step Wall: 5449.41, 0.00312084/step, 2.82263 hours remaining, 234.050781 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: 1744000 4010.5504 20532.7853 14428.7510 250.4509 -203211.9158 2864.6211 0.0000 0.0000 52118.0547 -109006.7024 299.5232 -161124.7571 -108635.7102 299.3253 -73.0481 -42.8596 763538.1937 5.9549 6.0239 PRESSURE: 1744200 243.269 72.8692 -80.2995 72.8689 41.3228 217.193 -80.2989 217.194 -132.234 GPRESSURE: 1744200 270.468 84.4252 -107.095 206.734 32.7975 290.711 -131.979 236.781 -77.3905 PRESSAVG: 1744200 -64.9141 36.6723 7.99531 36.6723 83.9055 35.0379 7.99518 35.038 -11.0923 GPRESSAVG: 1744200 -64.2833 35.2721 6.41762 38.4986 83.7296 32.8588 10.0881 35.4768 -11.2433 TIMING: 1744200 CPU: 5450.04, 0.00314621/step Wall: 5450.04, 0.00314621/step, 2.84539 hours remaining, 234.050781 MB of memory in use. ENERGY: 1744200 4004.4455 20483.2810 14467.6781 247.3518 -203282.2814 2850.7262 0.0000 0.0000 52167.5183 -109061.2806 299.8074 -161228.7989 -108692.5878 299.2699 50.7859 75.2917 763166.3920 2.6330 2.7343 LDB: ============= START OF LOAD BALANCING ============== 5462.52 LDB: ============== END OF LOAD BALANCING =============== 5462.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5462.52 LDB: ============= START OF LOAD BALANCING ============== 5462.83 LDB: Largest compute 6988 load 0.028839 is 14.8% of average load 0.195039 LDB: Average compute 0.004400 is 2.3% of average load 0.195039 LDB: TIME 5462.84 LOAD: AVG 0.195039 MAX 0.214651 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.594 MB LDB: TIME 5462.84 LOAD: AVG 0.195039 MAX 0.214651 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.793 MB LDB: TIME 5462.84 LOAD: AVG 0.195039 MAX 0.214651 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.793 MB LDB: ============== END OF LOAD BALANCING =============== 5462.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5462.84 PRESSURE: 1744400 -114.421 -16.7214 158.267 -16.7215 10.8574 25.9236 158.267 25.9235 101.695 GPRESSURE: 1744400 -88.7904 52.8191 150.139 -48.6666 -21.0487 -35.4383 56.2815 -143.881 187.074 PRESSAVG: 1744400 7.98673 58.1506 17.9725 58.1506 20.8221 25.8902 17.9725 25.8902 -19.1896 GPRESSAVG: 1744400 7.33377 58.7122 17.6616 55.8931 21.4347 26.7143 15.1084 22.0812 -18.8987 TIMING: 1744400 CPU: 5450.68, 0.00318887/step Wall: 5450.68, 0.00318887/step, 2.8838 hours remaining, 234.820312 MB of memory in use. ENERGY: 1744400 4043.3848 20480.4470 14391.7638 256.2537 -203469.1892 3014.5067 0.0000 0.0000 52303.8156 -108979.0178 300.5907 -161282.8334 -108617.8677 299.2268 -0.6229 25.7451 764116.7659 3.2064 3.2899 PRESSURE: 1744600 -339.156 65.796 -144.682 65.7963 176.944 -210.204 -144.682 -210.206 41.7144 GPRESSURE: 1744600 -268.234 139.046 -134.371 -18.1921 180.605 -176.343 57.3253 -126.657 46.7712 PRESSAVG: 1744600 -42.0914 7.84334 12.3579 7.84332 9.20626 -18.4592 12.3579 -18.4593 -9.10069 GPRESSAVG: 1744600 -40.55 9.66108 11.574 9.35914 7.94765 -18.9906 15.3105 -14.9086 -8.88165 TIMING: 1744600 CPU: 5451.3, 0.00312618/step Wall: 5451.3, 0.00312618/step, 2.82694 hours remaining, 235.023438 MB of memory in use. ENERGY: 1744600 3974.6036 20553.2058 14504.3852 248.4881 -202545.4831 2383.3980 0.0000 0.0000 52015.1760 -108866.2264 298.9319 -160881.4024 -108500.9162 299.7134 -40.1658 -13.6194 763172.4468 -13.9953 -13.8280 PRESSURE: 1744800 -251.654 -51.8188 -213.143 -51.8188 -548.337 -263.045 -213.144 -263.045 -58.9198 GPRESSURE: 1744800 -295.092 21.4031 -312.053 83.8234 -375.521 -239.913 -120.001 -211.529 -94.5297 PRESSAVG: 1744800 -23.255 22.5288 29.6082 22.5289 -15.6009 -41.0407 29.6082 -41.0407 -12.2106 GPRESSAVG: 1744800 -22.803 22.1071 30.1996 22.2003 -14.8621 -39.7009 29.2145 -41.2497 -13.465 TIMING: 1744800 CPU: 5451.93, 0.00313383/step Wall: 5451.93, 0.00313383/step, 2.83368 hours remaining, 235.023438 MB of memory in use. ENERGY: 1744800 3992.3678 20487.6217 14485.6528 254.2529 -202725.5391 2418.6878 0.0000 0.0000 52144.1122 -108942.8440 299.6729 -161086.9563 -108570.2211 299.8402 -286.3037 -255.0475 764554.2859 -17.0222 -17.0434 PRESSURE: 1745000 -86.3261 -26.3637 -7.00096 -26.3635 -65.4064 243.009 -7.00005 243.009 -14.1261 GPRESSURE: 1745000 -154.286 -78.8318 -93.2239 -17.855 31.3686 257.2 4.38381 129.475 41.3046 PRESSAVG: 1745000 5.46373 -0.91809 -9.35028 -0.918159 21.3169 -13.6959 -9.35028 -13.696 -13.3607 GPRESSAVG: 1745000 5.28451 -0.53431 -8.72229 -1.78165 20.4534 -13.3614 -10.0026 -14.4348 -12.6542 TIMING: 1745000 CPU: 5452.56, 0.0031327/step Wall: 5452.56, 0.0031327/step, 2.83248 hours remaining, 235.023438 MB of memory in use. ENERGY: 1745000 4061.8523 20452.6404 14375.6518 243.4394 -203484.7340 2999.3505 0.0000 0.0000 52427.2538 -108924.5457 301.3001 -161351.7995 -108562.4710 299.8971 -55.2862 -27.2044 762462.9970 4.4733 4.3612 PRESSURE: 1745200 264.78 68.6496 -123.759 68.6489 280.866 6.50609 -123.76 6.50626 -177.068 GPRESSURE: 1745200 292.721 -67.3786 -164.757 138.77 262.76 15.251 -65.1092 -31.3876 -121.596 PRESSAVG: 1745200 -39.3661 14.3518 -32.2713 14.3518 50.2743 -15.5567 -32.2713 -15.5567 -13.4927 GPRESSAVG: 1745200 -38.915 13.5751 -31.7343 13.238 49.1876 -15.9588 -33.6905 -14.2935 -13.2936 TIMING: 1745200 CPU: 5453.18, 0.00311588/step Wall: 5453.18, 0.00311588/step, 2.8171 hours remaining, 235.023438 MB of memory in use. ENERGY: 1745200 4015.8699 20492.6598 14457.6606 243.6740 -203120.8021 2642.1696 0.0000 0.0000 52380.1582 -108888.6101 301.0295 -161268.7683 -108516.8616 299.8673 122.8595 144.6281 762693.9854 -0.8615 -1.0070 PRESSURE: 1745400 73.3726 -151.431 -203.751 -151.431 -422.803 2.81448 -203.751 2.81391 66.4829 GPRESSURE: 1745400 49.0582 -118.809 -90.9962 -116.022 -343.167 5.01678 -139.233 60.7839 102.003 PRESSAVG: 1745400 1.00381 -12.6117 -7.83187 -12.6117 -17.5134 7.66084 -7.83187 7.66075 -17.9335 GPRESSAVG: 1745400 0.277482 -12.4016 -7.39424 -10.9237 -17.2106 8.00998 -6.31916 4.45307 -17.8294 TIMING: 1745400 CPU: 5453.81, 0.00314342/step Wall: 5453.81, 0.00314342/step, 2.84183 hours remaining, 235.023438 MB of memory in use. ENERGY: 1745400 3984.5369 20501.5511 14471.2255 234.8761 -203220.4568 2676.9868 0.0000 0.0000 52276.5969 -109074.6834 300.4343 -161351.2803 -108703.6345 300.0078 -94.3157 -64.0352 763992.9259 -11.4810 -11.5875 PRESSURE: 1745600 -227.2 -31.416 -9.45655 -31.4165 -250.361 -66.6323 -9.45652 -66.6334 -43.2502 GPRESSURE: 1745600 -167.847 41.4551 3.59628 -51.6577 -259.555 -150.099 -53.3817 43.9512 -20.5791 PRESSAVG: 1745600 -11.0467 -15.0987 -39.2649 -15.0988 55.3592 -55.5456 -39.2648 -55.5456 5.74881 GPRESSAVG: 1745600 -10.7125 -15.2813 -41.932 -13.821 56.4463 -57.2137 -37.923 -54.2557 4.43892 TIMING: 1745600 CPU: 5454.44, 0.00313268/step Wall: 5454.44, 0.00313268/step, 2.83195 hours remaining, 235.023438 MB of memory in use. ENERGY: 1745600 3967.2539 20633.4928 14474.8936 237.9960 -203169.6454 2604.2979 0.0000 0.0000 52103.0598 -109148.6514 299.4370 -161251.7112 -108790.0822 299.5684 -173.6039 -149.3270 763529.5526 16.6871 16.7242 PRESSURE: 1745800 -84.9618 306.639 -68.8345 306.639 73.6763 88.3363 -68.8344 88.3369 -215.808 GPRESSURE: 1745800 -94.858 249.845 -92.5781 304.439 108.979 30.2119 -2.73842 -80.1645 -152.464 PRESSAVG: 1745800 27.6054 16.2204 -81.4563 16.2204 12.6614 -19.1293 -81.4564 -19.1293 23.4695 GPRESSAVG: 1745800 27.1211 15.9181 -80.9526 16.1107 11.5165 -17.7666 -82.2599 -18.6553 24.9242 TIMING: 1745800 CPU: 5455.06, 0.00311739/step Wall: 5455.06, 0.00311739/step, 2.81794 hours remaining, 235.023438 MB of memory in use. ENERGY: 1745800 4064.9225 20816.4067 14484.5608 246.5540 -202804.7812 2228.3595 0.0000 0.0000 51929.1548 -109034.8229 298.4376 -160963.9777 -108674.9800 299.8895 -75.6980 -46.1144 764298.4883 21.2454 21.1873 PRESSURE: 1746000 -60.8503 62.7566 22.2824 62.7555 -14.0548 -98.1474 22.2815 -98.147 25.4096 GPRESSURE: 1746000 -8.55669 91.298 45.55 113.992 9.90645 -145.181 -121.114 -164.229 15.2916 PRESSAVG: 1746000 -19.9184 24.0771 -87.4424 24.077 18.8984 -1.60175 -87.4425 -1.60179 19.7261 GPRESSAVG: 1746000 -19.8344 26.1975 -87.3184 24.1959 19.5597 -1.45548 -86.3036 -2.488 18.6809 TIMING: 1746000 CPU: 5455.68, 0.00311951/step Wall: 5455.68, 0.00311951/step, 2.81969 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1746000 3926.3973 20578.1822 14557.1677 247.8202 -203087.4620 2614.3858 0.0000 0.0000 51983.3535 -109180.1554 298.7490 -161163.5089 -108810.7968 299.3521 -16.4985 5.5471 761440.6176 6.2353 6.1354 PRESSURE: 1746200 -308.292 -16.8772 -251.271 -16.8768 -202.235 -72.2369 -251.27 -72.2367 -248.034 GPRESSURE: 1746200 -310.577 -39.199 -221.174 55.0521 -236.562 -44.4144 -202.12 -4.53418 -127.932 PRESSAVG: 1746200 -37.3745 17.1895 -11.7524 17.1895 22.7501 2.53717 -11.7523 2.53707 20.0398 GPRESSAVG: 1746200 -37.8794 15.3702 -9.17492 16.7342 22.122 2.74727 -13.2512 1.87577 21.8746 TIMING: 1746200 CPU: 5456.31, 0.00313053/step Wall: 5456.31, 0.00313053/step, 2.82948 hours remaining, 235.023438 MB of memory in use. ENERGY: 1746200 4022.5814 20635.7184 14435.4313 248.8162 -203466.5610 2798.5120 0.0000 0.0000 52236.2075 -109089.2944 300.2022 -161325.5018 -108724.1590 299.2015 -252.8536 -225.0237 764389.7614 1.8052 2.0391 PRESSURE: 1746400 13.0721 293.975 95.4712 293.975 141.683 -183.459 95.4699 -183.459 -228.56 GPRESSURE: 1746400 78.538 247.97 149.008 264.308 125.624 -162.852 132.218 -196.512 -223.023 PRESSAVG: 1746400 -24.5563 21.6879 8.47787 21.6879 11.3348 -57.0047 8.47785 -57.0047 -24.586 GPRESSAVG: 1746400 -24.1289 23.0331 7.53491 22.6002 11.5623 -56.8098 8.82837 -53.8629 -24.9678 TIMING: 1746400 CPU: 5456.94, 0.00314305/step Wall: 5456.94, 0.00314305/step, 2.84062 hours remaining, 235.023438 MB of memory in use. ENERGY: 1746400 4043.3446 20520.5037 14518.9944 233.7676 -203213.9313 2576.7141 0.0000 0.0000 52423.1537 -108897.4532 301.2766 -161320.6069 -108530.1220 300.1729 -24.6016 -6.2869 763036.0072 -12.6025 -12.5115 PRESSURE: 1746600 39.9496 8.85983 -81.797 8.86009 -32.3588 124.681 -81.7966 124.682 -63.6929 GPRESSURE: 1746600 105.543 55.2837 39.0089 30.4766 30.0969 90.6045 -152.481 142.591 -116.538 PRESSAVG: 1746600 -9.22386 -0.737743 -31.0426 -0.7377 23.7997 -9.46837 -31.0426 -9.46835 11.6713 GPRESSAVG: 1746600 -8.71269 0.468423 -30.6603 -1.67246 22.7616 -13.1445 -30.4 -9.93767 11.8432 TIMING: 1746600 CPU: 5457.57, 0.00314668/step Wall: 5457.57, 0.00314668/step, 2.84372 hours remaining, 235.023438 MB of memory in use. ENERGY: 1746600 3977.9649 20603.2750 14411.8051 245.3356 -203719.5795 2963.2298 0.0000 0.0000 52330.3299 -109187.6392 300.7431 -161517.9691 -108815.3538 299.4677 -18.7007 6.3674 762331.4418 8.7490 8.6307 PRESSURE: 1746800 -301.433 -210.784 42.7091 -210.784 -161.808 -154.401 42.7089 -154.4 -143.346 GPRESSURE: 1746800 -279.808 -198.396 139.037 -284.539 -103.147 -117.322 -81.6429 -209.594 -113.298 PRESSAVG: 1746800 18.1444 -52.9853 10.6148 -52.9854 -20.8741 16.3664 10.6148 16.3664 -3.11525 GPRESSAVG: 1746800 17.6593 -56.1371 11.1626 -50.8869 -19.5246 20.3531 10.2184 13.4678 -2.86903 TIMING: 1746800 CPU: 5458.19, 0.00311836/step Wall: 5458.19, 0.00311836/step, 2.81796 hours remaining, 235.023438 MB of memory in use. ENERGY: 1746800 4020.9672 20611.1052 14442.4652 220.4450 -203332.3082 2870.0684 0.0000 0.0000 51943.3027 -109223.9545 298.5189 -161167.2572 -108868.1447 299.3693 -202.1955 -165.4177 765335.2324 -1.9483 -1.5781 PRESSURE: 1747000 -50.59 69.6592 6.70565 69.6588 -64.0651 -274.919 6.70541 -274.919 -209.039 GPRESSURE: 1747000 1.97671 38.1917 29.4314 90.1914 -59.7008 -279.341 22.1644 -91.3274 -165.049 PRESSAVG: 1747000 -23.4484 2.01962 -16.4048 2.0196 16.6025 -5.68083 -16.4048 -5.68086 -16.1728 GPRESSAVG: 1747000 -22.5649 3.12878 -18.9041 0.0991634 16.8428 -6.36765 -16.4071 -3.91376 -16.3407 TIMING: 1747000 CPU: 5458.82, 0.00312394/step Wall: 5458.82, 0.00312394/step, 2.82283 hours remaining, 235.023438 MB of memory in use. ENERGY: 1747000 4020.9085 20585.8902 14422.9371 250.2505 -203243.4423 2824.3115 0.0000 0.0000 51972.0948 -109167.0497 298.6843 -161139.1445 -108800.9603 299.0991 -107.8980 -74.2576 763320.9825 -7.6729 -7.3542 PRESSURE: 1747200 -159.3 -25.9793 229.947 -25.9801 -231.692 -80.4397 229.947 -80.4421 -135.148 GPRESSURE: 1747200 -194.745 -118.066 147.667 58.7176 -152.426 -44.0207 319.614 -1.20431 -99.4295 PRESSAVG: 1747200 -17.033 8.24109 -13.792 8.24106 25.4706 -33.5806 -13.792 -33.5806 -2.31282 GPRESSAVG: 1747200 -16.8936 6.13068 -12.6991 9.93105 24.9574 -34.1338 -13.9261 -31.8474 -2.26065 TIMING: 1747200 CPU: 5459.45, 0.00314783/step Wall: 5459.45, 0.00314783/step, 2.84424 hours remaining, 235.023438 MB of memory in use. ENERGY: 1747200 4090.8116 20692.3122 14474.5222 242.1109 -203364.7587 2744.2130 0.0000 0.0000 51982.9176 -109137.8711 298.7465 -161120.7888 -108783.6967 299.1923 -175.3799 -148.8669 762245.5730 2.0416 1.9344 PRESSURE: 1747400 115.666 298.145 -75.3808 298.145 -163.322 98.6084 -75.3802 98.6088 195.372 GPRESSURE: 1747400 134.764 245.9 -112.791 200.768 -103.893 68.1613 -168.475 0.0499138 193.19 PRESSAVG: 1747400 22.1963 -25.7439 20.1205 -25.7438 -21.9405 -2.93171 20.1205 -2.93173 -4.79988 GPRESSAVG: 1747400 22.2682 -22.5469 20.5569 -27.3334 -20.7227 -2.51254 20.5734 -3.19595 -5.78224 TIMING: 1747400 CPU: 5460.07, 0.00313451/step Wall: 5460.07, 0.00313451/step, 2.83203 hours remaining, 235.023438 MB of memory in use. ENERGY: 1747400 4012.5665 20663.3227 14355.3472 236.7506 -203503.8489 2887.3812 0.0000 0.0000 52190.3104 -109158.1702 299.9384 -161348.4806 -108792.8333 299.4983 49.2385 74.6869 763309.6302 -1.5147 -1.4122 PRESSURE: 1747600 -144.841 3.95348 -139.563 3.95421 -53.154 -20.8196 -139.563 -20.8197 -206.303 GPRESSURE: 1747600 -60.2789 43.1662 -167.846 32.2817 -12.5337 -50.2909 -165.935 42.5208 -247.074 PRESSAVG: 1747600 43.246 30.8796 -26.5544 30.8796 13.9116 14.3949 -26.5544 14.3949 -2.91567 GPRESSAVG: 1747600 43.7327 31.1107 -27.7694 30.6626 12.6853 12.4448 -26.2851 12.8719 -2.39446 TIMING: 1747600 CPU: 5460.7, 0.00314325/step Wall: 5460.7, 0.00314325/step, 2.83975 hours remaining, 235.023438 MB of memory in use. ENERGY: 1747600 4024.6790 20451.0769 14454.7208 234.3169 -203186.1712 2651.2181 0.0000 0.0000 52185.2277 -109184.9319 299.9092 -161370.1596 -108818.7643 299.1345 -134.7660 -106.6290 764077.2843 18.0806 18.0078 PRESSURE: 1747800 -111.411 -59.5443 112.19 -59.5446 -312.784 -52.8061 112.189 -52.8052 -209.817 GPRESSURE: 1747800 -53.3746 1.47672 78.0053 -104.528 -247.565 -23.5225 -10.0303 -76.1469 -261.047 PRESSAVG: 1747800 -17.8966 6.34127 -3.68041 6.34125 68.0544 2.86115 -3.68041 2.86109 -3.12763 GPRESSAVG: 1747800 -18.5338 2.98222 -4.87933 8.23387 68.4318 4.79237 -2.38482 2.21383 -2.56337 TIMING: 1747800 CPU: 5461.33, 0.00312829/step Wall: 5461.33, 0.00312829/step, 2.82606 hours remaining, 235.023438 MB of memory in use. ENERGY: 1747800 4099.0540 20615.3002 14422.0833 255.1824 -203865.4917 3128.1739 0.0000 0.0000 51941.6028 -109404.0951 298.5091 -161345.6978 -109046.3293 299.2219 -211.3372 -187.3288 762670.6274 15.6767 15.7782 PRESSURE: 1748000 80.8662 -181.844 67.6868 -181.844 -129.362 -12.918 67.6861 -12.9178 -11.0541 GPRESSURE: 1748000 70.8655 -176.972 62.7847 -69.3126 -0.581835 2.19199 51.9887 160.834 -48.4991 PRESSAVG: 1748000 25.5576 11.0065 -7.60965 11.0065 -18.0653 10.0831 -7.60962 10.0832 -8.43896 GPRESSAVG: 1748000 25.668 13.7752 -5.06578 11.3605 -18.595 9.89551 -11.4395 10.0814 -7.61309 TIMING: 1748000 CPU: 5461.95, 0.00313688/step Wall: 5461.95, 0.00313688/step, 2.83364 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1748000 3958.5053 20653.8006 14466.3192 253.3912 -203689.1722 2931.3818 0.0000 0.0000 52078.5212 -109347.2529 299.2960 -161425.7741 -108995.6159 298.6276 -19.8500 7.2615 762483.0168 -0.3156 -0.1800 PRESSURE: 1748200 244.416 -136.431 39.5998 -136.431 29.4285 57.7744 39.6008 57.7736 -472.087 GPRESSURE: 1748200 222.83 -179.596 -12.4778 -110.998 73.2437 -7.49572 89.5846 102.049 -383.933 PRESSAVG: 1748200 9.31539 -14.8538 11.2494 -14.8538 3.02585 18.5052 11.2494 18.5052 4.92508 GPRESSAVG: 1748200 8.75954 -15.2377 10.9185 -16.5309 3.02876 19.3173 10.9438 17.8513 4.67398 TIMING: 1748200 CPU: 5462.59, 0.00316211/step Wall: 5462.59, 0.00316211/step, 2.85626 hours remaining, 235.023438 MB of memory in use. ENERGY: 1748200 3948.9348 20600.7513 14553.0950 248.8876 -203676.5491 2975.6957 0.0000 0.0000 52028.8813 -109320.3035 299.0107 -161349.1848 -108960.1972 299.0376 -66.0808 -29.2866 763804.7144 5.7554 5.4874 LDB: ============= START OF LOAD BALANCING ============== 5475.07 LDB: ============== END OF LOAD BALANCING =============== 5475.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5475.07 LDB: ============= START OF LOAD BALANCING ============== 5475.38 LDB: Largest compute 6985 load 0.030768 is 15.8% of average load 0.194942 LDB: Average compute 0.004404 is 2.3% of average load 0.194942 LDB: TIME 5475.39 LOAD: AVG 0.194942 MAX 0.213758 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.176 MB LDB: TIME 5475.39 LOAD: AVG 0.194942 MAX 0.213758 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.383 MB LDB: TIME 5475.39 LOAD: AVG 0.194942 MAX 0.213758 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.383 MB LDB: ============== END OF LOAD BALANCING =============== 5475.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5475.39 PRESSURE: 1748400 -215.363 1.35265 30.3752 1.3533 -272.848 -121.875 30.3741 -121.876 0.942994 GPRESSURE: 1748400 -165.229 99.945 62.7179 -93.792 -176.372 -173.512 -5.82979 -206.891 -69.0428 PRESSAVG: 1748400 7.86323 2.08443 -0.645351 2.08447 -25.1562 -13.6685 -0.645395 -13.6685 -16.9628 GPRESSAVG: 1748400 8.0992 1.62521 -2.18694 2.62181 -25.1233 -15.1302 3.04497 -11.7934 -17.1039 TIMING: 1748400 CPU: 5463.23, 0.00321167/step Wall: 5463.23, 0.00321166/step, 2.90085 hours remaining, 235.277344 MB of memory in use. ENERGY: 1748400 4020.5788 20587.0068 14449.5349 243.3364 -203073.6101 2470.1508 0.0000 0.0000 51924.5296 -109378.4728 298.4110 -161303.0024 -109019.1790 298.9781 -162.4228 -136.8813 765198.1362 -11.4186 -11.3760 PRESSURE: 1748600 82.4776 -98.0944 18.4368 -98.0939 -199.403 115.629 18.4363 115.629 -233.845 GPRESSURE: 1748600 18.9803 -111.889 13.7917 -184.818 -91.7303 138.759 44.4293 -55.5062 -189.682 PRESSAVG: 1748600 -37.069 -20.5946 -9.35866 -20.5946 47.9262 -22.089 -9.35868 -22.089 20.6469 GPRESSAVG: 1748600 -37.2247 -19.9157 -8.43414 -21.4288 46.1961 -21.4093 -11.3644 -21.2451 22.7953 TIMING: 1748600 CPU: 5463.86, 0.00313911/step Wall: 5463.86, 0.00313911/step, 2.83514 hours remaining, 235.277344 MB of memory in use. ENERGY: 1748600 4049.0725 20483.1554 14475.2195 247.4459 -203380.2188 2770.5597 0.0000 0.0000 51978.2571 -109376.5087 298.7198 -161354.7658 -109015.5433 299.0685 -116.9235 -87.4773 764107.5488 10.5014 10.5889 PRESSURE: 1748800 187.544 56.3583 -183.113 56.358 500.197 -9.89844 -183.113 -9.89821 401.458 GPRESSURE: 1748800 260.741 171.675 -82.3101 68.3739 526.727 -134.53 -245.498 22.6776 404.889 PRESSAVG: 1748800 13.5072 22.7245 -37.5553 22.7244 10.5895 -44.2663 -37.5554 -44.2663 -7.60659 GPRESSAVG: 1748800 13.6013 22.3271 -37.4871 25.8475 13.2256 -43.5838 -37.7528 -45.349 -10.5215 TIMING: 1748800 CPU: 5464.48, 0.00312241/step Wall: 5464.48, 0.00312241/step, 2.81988 hours remaining, 235.277344 MB of memory in use. ENERGY: 1748800 3924.7952 20564.1237 14490.2062 263.6613 -203580.1399 2922.4283 0.0000 0.0000 52060.7074 -109354.2178 299.1936 -161414.9253 -108992.4856 299.0091 363.0662 397.4522 760804.5686 5.4967 5.4351 PRESSURE: 1749000 -51.6215 -41.3115 -45.0896 -41.3115 -31.7827 190.436 -45.0896 190.437 201.022 GPRESSURE: 1749000 33.8225 51.7985 21.1736 -37.7059 86.4368 166.115 -75.5317 120.308 88.9532 PRESSAVG: 1749000 -54.2508 -33.3727 -65.2036 -33.3728 35.3609 -51.3095 -65.2036 -51.3094 0.915504 GPRESSAVG: 1749000 -54.4567 -31.3501 -64.7074 -36.148 34.8724 -51.8995 -65.3744 -51.8342 1.18126 TIMING: 1749000 CPU: 5465.11, 0.00313069/step Wall: 5465.11, 0.00313069/step, 2.82719 hours remaining, 235.277344 MB of memory in use. ENERGY: 1749000 3979.4243 20539.6159 14524.2386 277.7910 -203634.5048 3063.2959 0.0000 0.0000 52140.2647 -109109.8745 299.6508 -161250.1392 -108750.3657 299.3315 39.2061 69.7375 761891.2649 -5.9915 -6.1343 PRESSURE: 1749200 -489.176 -25.9947 -116.561 -25.9949 -212.555 -76.0909 -116.56 -76.0917 -157.556 GPRESSURE: 1749200 -364.875 -54.0248 -51.7617 -103.326 -202.967 -26.721 -96.1551 -165.77 -221.429 PRESSAVG: 1749200 -63.9811 -28.6307 -10.9726 -28.6307 79.2793 22.1025 -10.9725 22.1024 -4.98401 GPRESSAVG: 1749200 -64.2323 -29.3182 -11.7897 -26.7853 78.8309 20.8278 -8.75593 21.8573 -4.29007 TIMING: 1749200 CPU: 5465.73, 0.00313464/step Wall: 5465.73, 0.00313464/step, 2.83058 hours remaining, 235.277344 MB of memory in use. ENERGY: 1749200 4052.3281 20582.2990 14485.5519 259.2687 -202584.5729 2232.8615 0.0000 0.0000 51828.6929 -109143.5708 297.8602 -160972.2637 -108780.2093 299.4938 -286.4292 -263.0901 761607.4230 3.4381 3.4362 PRESSURE: 1749400 -35.3591 99.3972 -105.161 99.3967 -182.538 130.402 -105.161 130.403 -349.033 GPRESSURE: 1749400 -5.52913 10.4285 -138.217 214.728 -138.107 -1.15658 -0.453209 155.943 -352.839 PRESSAVG: 1749400 -14.0901 -25.6465 -23.5396 -25.6465 -23.4955 -0.965881 -23.5395 -0.96595 -11.7528 GPRESSAVG: 1749400 -13.7966 -26.3478 -23.3014 -27.028 -23.5006 0.358973 -23.614 -0.413003 -12.5811 TIMING: 1749400 CPU: 5466.37, 0.00315728/step Wall: 5466.37, 0.00315728/step, 2.85084 hours remaining, 235.277344 MB of memory in use. ENERGY: 1749400 4050.8595 20507.6367 14430.3376 254.0530 -202923.0489 2397.1256 0.0000 0.0000 52056.6063 -109226.4302 299.1700 -161283.0365 -108863.1764 299.0075 -188.9764 -165.4917 762374.7405 -16.4461 -16.6261 PRESSURE: 1749600 -25.5051 144.224 -11.4565 144.224 -37.3907 90.2785 -11.4567 90.2775 333.453 GPRESSURE: 1749600 -4.55788 159.758 -74.0828 111.863 -5.81838 116.837 -14.1225 63.1332 350.98 PRESSAVG: 1749600 15.9171 -1.34538 16.6822 -1.34542 14.1305 -11.6304 16.6822 -11.6303 0.352044 GPRESSAVG: 1749600 15.7304 -0.252649 15.5055 -0.742257 13.7047 -10.8741 17.5979 -13.078 1.00044 TIMING: 1749600 CPU: 5466.99, 0.0031216/step Wall: 5466.99, 0.0031216/step, 2.81846 hours remaining, 235.277344 MB of memory in use. ENERGY: 1749600 4000.3021 20607.3240 14480.6510 242.6204 -203677.3031 2779.3071 0.0000 0.0000 52101.8299 -109465.2686 299.4299 -161567.0985 -109096.0063 299.4943 90.1858 113.5347 760717.2943 10.1332 10.1452 PRESSURE: 1749800 185.192 -86.149 72.6748 -86.1488 404.044 108.651 72.674 108.651 96.0135 GPRESSURE: 1749800 210.086 -34.3685 62.5744 -179.86 472.306 66.0475 25.3064 37.7134 82.6233 PRESSAVG: 1749800 -29.9683 7.25114 -16.2665 7.25114 26.6772 8.3814 -16.2666 8.38145 -17.6731 GPRESSAVG: 1749800 -29.5259 7.40255 -12.2885 5.23311 26.4911 5.68492 -20.8589 11.2474 -18.0281 TIMING: 1749800 CPU: 5467.61, 0.00310974/step Wall: 5467.61, 0.00310974/step, 2.80758 hours remaining, 235.277344 MB of memory in use. ENERGY: 1749800 4013.6216 20564.0346 14427.9849 243.2909 -203489.7286 2860.2609 0.0000 0.0000 51900.1343 -109480.4014 298.2708 -161380.5357 -109122.8840 298.1322 228.4165 255.0050 762092.6812 -6.9881 -7.0210 PRESSURE: 1750000 -146.791 53.5552 -191.145 53.5553 -181.018 -75.6559 -191.144 -75.6573 -141.016 GPRESSURE: 1750000 -137.63 -1.42071 -104.735 82.9235 -113.509 -90.976 -180.642 -58.7366 -146.85 PRESSAVG: 1750000 -73.3256 9.94193 -32.7803 9.94199 57.7186 15.5076 -32.7804 15.5076 -11.512 GPRESSAVG: 1750000 -74.5929 8.87783 -34.0046 11.4592 58.1901 18.1045 -30.9078 12.9355 -11.0376 TIMING: 1750000 CPU: 5468.24, 0.003123/step Wall: 5468.24, 0.003123/step, 2.81937 hours remaining, 235.277344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1750000 3920.6210 20411.0713 14424.6524 243.5221 -203182.1882 2607.5370 0.0000 0.0000 52131.9194 -109442.8649 299.6029 -161574.7843 -109064.6973 298.8691 -156.2750 -132.6631 761820.0223 -9.0397 -9.1468 PRESSURE: 1750200 -41.1029 -62.7635 -86.8037 -62.7637 274.443 -184.097 -86.8037 -184.097 -89.6967 GPRESSURE: 1750200 3.81144 -106.172 -90.7166 -19.9454 349.287 -252.541 -13.7487 -196.545 -119.813 PRESSAVG: 1750200 -74.793 3.2497 22.2163 3.2497 80.6185 -3.06736 22.2163 -3.06736 -30.2524 GPRESSAVG: 1750200 -73.3382 3.40963 21.9419 2.93177 79.4709 -4.13353 23.1804 -1.65787 -30.518 TIMING: 1750200 CPU: 5468.86, 0.00311332/step Wall: 5468.86, 0.00311332/step, 2.81047 hours remaining, 235.277344 MB of memory in use. ENERGY: 1750200 3957.6597 20505.0813 14382.5157 246.3174 -203269.3079 2658.4726 0.0000 0.0000 51999.1948 -109520.0664 298.8401 -161519.2612 -109175.2772 299.0104 47.8813 77.7618 762962.9045 -8.1423 -8.1284 PRESSURE: 1750400 268.301 -46.7181 -41.7902 -46.718 166.52 194.775 -41.7901 194.775 433.753 GPRESSURE: 1750400 314.866 -12.9491 -37.2548 -12.5453 191.772 209.819 -136.651 242.631 430.502 PRESSAVG: 1750400 -17.7221 -29.105 30.3958 -29.105 16.6894 -29.9086 30.3958 -29.9086 5.53294 GPRESSAVG: 1750400 -18.0784 -27.7444 27.7664 -29.0396 16.5945 -29.2132 30.711 -32.2196 5.95756 TIMING: 1750400 CPU: 5469.49, 0.00314199/step Wall: 5469.49, 0.00314199/step, 2.83617 hours remaining, 235.277344 MB of memory in use. ENERGY: 1750400 3922.6560 20602.9626 14382.5565 243.9803 -203217.9663 2885.2523 0.0000 0.0000 51760.2510 -109420.3075 297.4669 -161180.5585 -109065.3143 298.7361 289.5245 312.3802 763454.6989 1.5001 1.4912 PRESSURE: 1750600 145.383 95.8314 -179.121 95.8309 -344.628 179.059 -179.12 179.058 123.514 GPRESSURE: 1750600 268.075 153.422 -189.897 25.1128 -322.824 154.526 -251.73 125.127 88.3583 PRESSAVG: 1750600 -16.5771 25.265 -58.2939 25.265 23.0656 34.5736 -58.2939 34.5736 -12.7064 GPRESSAVG: 1750600 -17.1281 24.9086 -57.0926 24.8033 23.9748 32.3245 -58.7909 37.68 -12.2527 TIMING: 1750600 CPU: 5470.12, 0.00313801/step Wall: 5470.12, 0.00313801/step, 2.8324 hours remaining, 235.277344 MB of memory in use. ENERGY: 1750600 3987.2462 20513.1799 14423.1612 287.8327 -202845.9933 2588.0748 0.0000 0.0000 51718.5679 -109327.9306 297.2273 -161046.4984 -108968.4652 298.5900 -25.2436 11.2030 763597.2825 -2.0726 -1.8020 PRESSURE: 1750800 293.766 -102.476 194.509 -102.476 45.3518 -27.9303 194.508 -27.93 248.227 GPRESSURE: 1750800 373.85 -66.9714 177.188 -74.692 56.4275 -18.4006 170.211 -28.6703 229.39 PRESSAVG: 1750800 11.9496 2.34381 -6.09403 2.34386 -8.40425 20.3039 -6.09402 20.304 1.68063 GPRESSAVG: 1750800 12.4543 1.78087 -5.71244 2.52233 -7.1839 21.4411 -5.65209 18.2131 0.0157384 TIMING: 1750800 CPU: 5470.74, 0.00314301/step Wall: 5470.74, 0.00314301/step, 2.83674 hours remaining, 235.277344 MB of memory in use. ENERGY: 1750800 3912.7363 20537.1966 14447.5382 245.1307 -203320.7698 2951.3842 0.0000 0.0000 52239.8599 -108986.9239 300.2232 -161226.7838 -108621.7377 299.2395 195.7818 219.8891 762907.2417 1.7420 1.7620 PRESSURE: 1751000 133.847 82.2465 -97.7634 82.2468 87.1063 -47.8794 -97.7638 -47.8796 405.491 GPRESSURE: 1751000 204.978 58.966 -114.209 94.5262 90.3712 -72.8167 -9.63999 39.3127 436.933 PRESSAVG: 1751000 -2.73233 -14.8593 39.5487 -14.8593 -15.6291 26.1346 39.5488 26.1346 -9.15735 GPRESSAVG: 1751000 -2.31461 -15.6249 39.2212 -12.4871 -15.6883 27.0405 42.283 26.4459 -8.99612 TIMING: 1751000 CPU: 5471.37, 0.00311799/step Wall: 5471.37, 0.00311799/step, 2.81399 hours remaining, 235.277344 MB of memory in use. ENERGY: 1751000 3947.2744 20248.2129 14479.7574 246.5737 -203561.2265 3096.0994 0.0000 0.0000 52420.0594 -109123.2493 301.2588 -161543.3087 -108754.7821 299.9872 208.8148 244.0941 761378.7001 -9.1729 -8.9997 PRESSURE: 1751200 218.978 -134.214 14.1313 -134.214 136.315 19.6199 14.1308 19.6194 329.404 GPRESSURE: 1751200 225.543 -82.6996 -17.4401 -34.5219 106.973 65.2134 83.2411 33.1166 442.875 PRESSAVG: 1751200 -25.7858 29.7028 26.2606 29.7027 41.0364 20.1856 26.2605 20.1855 1.81521 GPRESSAVG: 1751200 -26.3548 30.2142 27.1819 29.3407 40.4754 20.9232 24.0955 22.2272 2.78158 TIMING: 1751200 CPU: 5471.99, 0.00312438/step Wall: 5471.99, 0.00312438/step, 2.81958 hours remaining, 235.277344 MB of memory in use. ENERGY: 1751200 3991.0263 20441.7293 14540.3312 273.4910 -203127.8456 2748.6414 0.0000 0.0000 51991.5278 -109141.0986 298.7960 -161132.6264 -108795.1560 299.4554 228.2320 258.4634 760722.0071 5.6886 5.6340 PRESSURE: 1751400 224.339 117.308 -132.731 117.307 58.4897 76.0568 -132.731 76.0572 54.4699 GPRESSURE: 1751400 285.494 60.8983 77.3463 112.553 108.656 28.7224 -123.609 18.5532 38.9539 PRESSAVG: 1751400 10.891 -6.09114 3.0605 -6.09106 11.5687 23.4986 3.06053 23.4986 15.3904 GPRESSAVG: 1751400 12.8988 -4.46323 3.69332 -7.82012 11.4025 22.7171 5.06718 22.6564 13.5049 TIMING: 1751400 CPU: 5472.61, 0.00310766/step Wall: 5472.61, 0.00310766/step, 2.80432 hours remaining, 235.277344 MB of memory in use. ENERGY: 1751400 4032.0551 20411.1114 14437.5466 246.7713 -203473.0414 2859.2265 0.0000 0.0000 52289.6832 -109196.6474 300.5095 -161486.3305 -108833.6117 299.7885 112.4329 144.3683 760425.0869 12.6167 12.6021 PRESSURE: 1751600 6.46035 -58.0612 -239.853 -58.0612 -80.9844 -24.2098 -239.851 -24.2091 36.8109 GPRESSURE: 1751600 -13.7417 44.1092 -278.253 -140.169 17.393 -21.2793 -310.817 -68.1023 52.6977 PRESSAVG: 1751600 -18.0825 25.3772 -11.7914 25.3772 -30.7903 11.043 -11.7914 11.043 -22.306 GPRESSAVG: 1751600 -19.2897 25.0126 -13.3075 23.9094 -30.5317 9.80164 -12.4707 11.8181 -21.3881 TIMING: 1751600 CPU: 5473.23, 0.00310351/step Wall: 5473.23, 0.00310351/step, 2.8004 hours remaining, 235.277344 MB of memory in use. ENERGY: 1751600 3998.0570 20395.6532 14469.9190 250.2212 -203452.0094 2866.6460 0.0000 0.0000 52135.2604 -109336.2526 299.6221 -161471.5130 -108973.2648 299.4273 -12.5711 18.7830 760654.4553 -23.7263 -23.7365 PRESSURE: 1751800 -173.258 -51.7913 -47.3868 -51.7919 260.792 -30.5929 -47.3867 -30.5913 74.9629 GPRESSURE: 1751800 -93.0792 53.6142 -27.3249 -93.7929 278.509 17.9208 -102.683 33.0843 41.7212 PRESSAVG: 1751800 -17.0848 -42.394 28.9989 -42.394 40.7308 4.94714 28.9988 4.94711 8.54154 GPRESSAVG: 1751800 -17.7146 -42.037 29.5528 -40.5945 40.8682 5.75967 26.4227 3.15667 9.157 TIMING: 1751800 CPU: 5473.86, 0.00311622/step Wall: 5473.86, 0.00311622/step, 2.8117 hours remaining, 235.277344 MB of memory in use. ENERGY: 1751800 3971.5862 20442.3386 14435.0924 241.4646 -203123.1748 2642.9812 0.0000 0.0000 52094.9168 -109294.7949 299.3902 -161389.7117 -108936.0256 299.4124 54.1656 75.7172 761171.5441 10.7292 10.7702 PRESSURE: 1752000 7.35116 -108.548 136.233 -108.549 95.7898 -112.761 136.233 -112.761 262.723 GPRESSURE: 1752000 88.2253 -128.309 127.395 -145.406 97.8221 -48.7887 218.176 -171.321 252.966 PRESSAVG: 1752000 -14.9819 -11.7144 13.4181 -11.7144 -7.34517 -15.7401 13.4181 -15.7401 9.02841 GPRESSAVG: 1752000 -13.8668 -11.8041 12.7796 -11.3938 -7.68339 -16.6484 14.1136 -15.0159 8.06026 TIMING: 1752000 CPU: 5474.48, 0.00312347/step Wall: 5474.48, 0.00312347/step, 2.81806 hours remaining, 235.277344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1752000 4001.3067 20608.8903 14411.2920 232.0743 -203308.8444 2837.4304 0.0000 0.0000 51953.3881 -109264.4626 298.5768 -161217.8507 -108912.1454 299.1156 121.9546 146.3379 761566.6268 -4.4329 -4.4966 PRESSURE: 1752200 187.928 -290.749 -255.591 -290.75 -107.534 -29.5826 -255.591 -29.5838 -165.293 GPRESSURE: 1752200 171.13 -335.696 -148.08 -342.163 -5.97355 -102.624 -198.65 -124.547 -159.804 PRESSAVG: 1752200 -30.2067 -70.5822 14.5815 -70.5821 -28.2276 -10.1739 14.5815 -10.1739 31.9405 GPRESSAVG: 1752200 -30.034 -73.3753 14.3189 -69.9312 -28.8178 -11.0907 14.2501 -10.5059 32.5737 TIMING: 1752200 CPU: 5475.11, 0.00313034/step Wall: 5475.11, 0.00313034/step, 2.82408 hours remaining, 235.277344 MB of memory in use. ENERGY: 1752200 3959.3025 20352.9332 14478.4347 244.1727 -203396.7228 2970.3726 0.0000 0.0000 52055.1934 -109336.3138 299.1619 -161391.5072 -108970.9931 298.8878 -28.2998 1.7840 763384.1426 -8.8313 -8.7593 LDB: ============= START OF LOAD BALANCING ============== 5487.59 LDB: ============== END OF LOAD BALANCING =============== 5487.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5487.59 LDB: ============= START OF LOAD BALANCING ============== 5487.91 LDB: Largest compute 6972 load 0.029782 is 15.3% of average load 0.194933 LDB: Average compute 0.004404 is 2.3% of average load 0.194933 LDB: TIME 5487.91 LOAD: AVG 0.194933 MAX 0.218655 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.023 MB LDB: TIME 5487.91 LOAD: AVG 0.194933 MAX 0.218655 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.023 MB LDB: TIME 5487.91 LOAD: AVG 0.194933 MAX 0.214056 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.023 MB LDB: ============== END OF LOAD BALANCING =============== 5487.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5487.92 PRESSURE: 1752400 -256.984 166.184 95.6909 166.183 -339.564 87.534 95.6923 87.5339 109.56 GPRESSURE: 1752400 -167.976 129.544 47.4585 141.044 -274.327 1.14163 40.0012 86.958 23.7777 PRESSAVG: 1752400 43.0289 -20.6616 -34.9432 -20.6616 -46.0457 -16.3789 -34.9432 -16.3788 3.41 GPRESSAVG: 1752400 42.0013 -18.1703 -35.5605 -21.9662 -45.9532 -16.1616 -31.2128 -16.2478 4.68731 TIMING: 1752400 CPU: 5475.75, 0.00322506/step Wall: 5475.75, 0.00322505/step, 2.90936 hours remaining, 235.281250 MB of memory in use. ENERGY: 1752400 3993.7687 20519.9615 14404.6780 264.8928 -203324.7677 2715.3883 0.0000 0.0000 52088.0191 -109338.0592 299.3506 -161426.0783 -108976.0222 298.4552 -162.3291 -139.5082 763985.8632 0.1311 0.2451 PRESSURE: 1752600 33.6633 -303.928 -41.8009 -303.928 293.811 44.5978 -41.8006 44.5977 17.8391 GPRESSURE: 1752600 74.0706 -231.452 -19.0232 -222.298 252.114 168.768 10.8277 -68.84 97.8127 PRESSAVG: 1752600 27.3849 1.48269 -18.54 1.48275 -9.53351 45.6687 -18.54 45.6688 19.0265 GPRESSAVG: 1752600 28.4141 0.677877 -16.2858 2.3373 -8.58625 47.6965 -22.4093 44.7659 16.6826 TIMING: 1752600 CPU: 5476.38, 0.00313167/step Wall: 5476.38, 0.00313167/step, 2.82494 hours remaining, 235.281250 MB of memory in use. ENERGY: 1752600 3971.5165 20361.2886 14508.6045 246.7723 -203320.4813 2865.1389 0.0000 0.0000 52057.7456 -109309.4148 299.1766 -161367.1605 -108946.5519 298.7512 115.1044 141.3326 762931.2426 12.2926 12.1702 PRESSURE: 1752800 -75.6303 138.136 -34.6511 138.136 -101.63 -249.24 -34.6512 -249.24 -48.5011 GPRESSURE: 1752800 -79.6088 114.375 -3.7471 169.903 -32.0088 -339.104 -101.394 -156.87 -6.02119 PRESSAVG: 1752800 8.90595 1.92748 18.8327 1.92748 -28.7387 20.6181 18.8327 20.6181 -15.9048 GPRESSAVG: 1752800 9.32601 2.77662 18.6624 1.31027 -30.3724 20.2098 19.7161 21.2552 -14.3248 TIMING: 1752800 CPU: 5477, 0.00311573/step Wall: 5477, 0.00311573/step, 2.81039 hours remaining, 235.281250 MB of memory in use. ENERGY: 1752800 4058.5852 20224.1737 14414.1292 281.0403 -203032.8677 2553.5938 0.0000 0.0000 52125.9891 -109375.3563 299.5688 -161501.3455 -109004.4586 298.7762 -75.2539 -39.2129 763214.9154 -11.9125 -11.7904 PRESSURE: 1753000 17.6331 -36.1374 162.877 -36.1384 -85.1679 85.0269 162.877 85.0262 -292.402 GPRESSURE: 1753000 13.1025 98.3608 251.104 14.8407 -14.6526 181.091 136.056 -44.2462 -279.028 PRESSAVG: 1753000 -8.44905 22.1664 -54.9686 22.1663 -21.4894 11.6736 -54.9688 11.6735 11.5903 GPRESSAVG: 1753000 -9.46184 23.1581 -55.2684 21.6956 -20.8061 11.1736 -54.1291 10.05 11.5384 TIMING: 1753000 CPU: 5477.63, 0.00312998/step Wall: 5477.63, 0.00312998/step, 2.82306 hours remaining, 235.281250 MB of memory in use. ENERGY: 1753000 3972.4519 20628.9986 14429.5889 250.7726 -203202.7053 2679.8247 0.0000 0.0000 52016.9957 -109224.0729 298.9424 -161241.0686 -108867.3885 299.1320 -119.9790 -93.5259 764248.6738 -6.1160 -6.2432 PRESSURE: 1753200 -190.8 224.626 -157.666 224.626 -37.606 -93.3534 -157.667 -93.3536 61.5355 GPRESSURE: 1753200 -145.176 93.3269 -202.047 236.046 -8.50649 -146.759 -201.019 -30.8721 73.4566 PRESSAVG: 1753200 -47.4697 -11.3378 -8.82795 -11.3379 46.669 54.1908 -8.82795 54.1908 -4.0267 GPRESSAVG: 1753200 -46.4279 -13.4923 -9.18361 -9.15911 46.5137 53.9408 -7.99568 54.5582 -4.51271 TIMING: 1753200 CPU: 5478.25, 0.00312845/step Wall: 5478.25, 0.00312845/step, 2.82152 hours remaining, 235.281250 MB of memory in use. ENERGY: 1753200 3958.0215 20686.1701 14500.0280 245.4673 -202990.1979 2500.7779 0.0000 0.0000 52018.3013 -109081.4318 298.9499 -161099.7331 -108719.6974 299.4962 -55.6236 -26.7421 763127.1571 -1.6092 -1.4756 PRESSURE: 1753400 215.67 158.995 52.2573 158.994 323.475 162.65 52.2571 162.65 117.29 GPRESSURE: 1753400 319.163 96.7105 -37.3903 129.462 311.492 299.69 41.3213 148.384 114.393 PRESSAVG: 1753400 -30.2904 -4.71765 -27.2062 -4.71772 80.2924 58.4049 -27.2062 58.4049 -12.8298 GPRESSAVG: 1753400 -30.7716 -3.04293 -26.8886 -7.99038 80.0267 59.2883 -28.4264 58.9832 -11.9172 TIMING: 1753400 CPU: 5478.88, 0.00313584/step Wall: 5478.88, 0.00313584/step, 2.82801 hours remaining, 235.281250 MB of memory in use. ENERGY: 1753400 3990.7367 20643.3789 14316.8965 241.7894 -203358.4131 2751.4488 0.0000 0.0000 52329.2975 -109084.8654 300.7372 -161414.1629 -108723.7385 299.7413 218.8116 248.3494 762217.4079 12.3907 12.4460 PRESSURE: 1753600 168.656 -77.4752 29.8101 -77.4756 -269.151 -124.539 29.81 -124.538 -38.7017 GPRESSURE: 1753600 73.5911 -176.481 109.487 -120.158 -223.847 -104.527 81.3169 -116.521 88.5044 PRESSAVG: 1753600 4.60239 34.3183 14.7467 34.3183 -6.21963 25.1857 14.7467 25.1857 19.6154 GPRESSAVG: 1753600 4.06476 34.3183 14.4777 34.1864 -5.77843 23.7294 13.5663 25.5773 19.4338 TIMING: 1753600 CPU: 5479.51, 0.00312704/step Wall: 5479.51, 0.00312704/step, 2.81989 hours remaining, 235.281250 MB of memory in use. ENERGY: 1753600 3912.4367 20591.8734 14443.0023 248.0304 -203257.9042 2883.0760 0.0000 0.0000 52471.9644 -108707.5211 301.5571 -161179.4854 -108345.1303 300.3925 -46.3988 -20.5839 762427.3339 5.9994 5.9067 PRESSURE: 1753800 136.984 93.3913 -146.691 93.3908 -413.141 138.259 -146.691 138.259 -233.999 GPRESSURE: 1753800 164.503 192.515 -107.3 63.2318 -297.684 230.925 -148.345 44.5567 -292.717 PRESSAVG: 1753800 6.75401 39.6272 -4.29122 39.6272 -3.07141 30.4223 -4.29123 30.4224 -11.5124 GPRESSAVG: 1753800 6.78141 38.3952 -5.20189 41.6479 -3.07102 31.1246 -4.91934 31.0652 -11.0923 TIMING: 1753800 CPU: 5480.14, 0.00314381/step Wall: 5480.14, 0.00314381/step, 2.83485 hours remaining, 235.281250 MB of memory in use. ENERGY: 1753800 4067.1508 20477.7761 14481.5402 224.9222 -203092.6521 2701.9053 0.0000 0.0000 52274.2916 -108865.0659 300.4211 -161139.3574 -108498.4669 300.6587 -170.0520 -141.9662 764681.2148 -2.6099 -2.4606 PRESSURE: 1754000 345.921 -12.8325 -102.972 -12.8326 129.636 145.59 -102.971 145.59 -200.491 GPRESSURE: 1754000 352.493 -124.877 -147.094 -15.032 264.452 83.1685 -100.818 106.412 -253.507 PRESSAVG: 1754000 36.6951 39.7945 -19.9907 39.7944 -30.1202 -4.32031 -19.9907 -4.32029 -7.43468 GPRESSAVG: 1754000 36.9874 40.6545 -18.924 37.3214 -29.1982 -6.27007 -19.5305 -5.56153 -9.45445 TIMING: 1754000 CPU: 5480.76, 0.00313836/step Wall: 5480.76, 0.00313836/step, 2.82976 hours remaining, 235.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1754000 4009.5286 20612.2810 14371.1820 237.5893 -203681.9960 3057.4815 0.0000 0.0000 52445.1763 -108948.7572 301.4031 -161393.9335 -108574.6089 300.5649 91.6888 121.1462 762652.7058 -0.2866 -0.5551 PRESSURE: 1754200 178.539 27.3711 -141.129 27.3713 95.9965 -18.0322 -141.13 -18.0342 407.335 GPRESSURE: 1754200 162.598 64.6348 -217.789 44.6885 111.707 -43.0173 103.547 4.15747 492.186 PRESSAVG: 1754200 -35.9158 -27.0064 -15.6764 -27.0064 21.9051 -11.9179 -15.6764 -11.9178 -12.448 GPRESSAVG: 1754200 -35.9168 -26.4604 -18.5032 -26.1016 20.2804 -9.42073 -12.7169 -12.4767 -11.0535 TIMING: 1754200 CPU: 5481.39, 0.00312376/step Wall: 5481.39, 0.00312376/step, 2.81642 hours remaining, 235.281250 MB of memory in use. ENERGY: 1754200 4050.4376 20490.7999 14508.4235 258.6231 -203306.8855 2832.5196 0.0000 0.0000 52133.1733 -109032.9084 299.6101 -161166.0817 -108680.0467 299.8264 227.2902 255.4969 761339.1161 -8.8196 -8.8967 PRESSURE: 1754400 -156.829 135.225 -34.6154 135.225 -160.681 75.4165 -34.6158 75.4152 -88.0282 GPRESSURE: 1754400 -179.837 151.218 -151.543 188.105 -55.6478 93.3594 -144.484 120.386 -75.7147 PRESSAVG: 1754400 -41.0478 -11.5646 -52.454 -11.5646 9.21712 14.0175 -52.4541 14.0174 -1.74122 GPRESSAVG: 1754400 -40.7994 -12.0108 -51.9138 -10.4474 9.82445 14.1818 -52.4067 14.4806 -2.19875 TIMING: 1754400 CPU: 5482.01, 0.00311433/step Wall: 5482.01, 0.00311433/step, 2.80774 hours remaining, 235.281250 MB of memory in use. ENERGY: 1754400 3971.1599 20495.2112 14436.5662 252.4140 -203039.7733 2628.1902 0.0000 0.0000 52295.5065 -108960.7253 300.5430 -161256.2318 -108602.5816 300.1876 -135.1796 -103.7331 765761.4359 -11.1906 -11.0579 PRESSURE: 1754600 -182.312 5.88598 -165.101 5.88585 33.9021 129.315 -165.101 129.315 -123.409 GPRESSURE: 1754600 -111.34 37.6823 -135.714 31.9972 1.00899 147.973 -202.698 138.528 -78.611 PRESSAVG: 1754600 -58.3343 13.5141 -72.5461 13.514 49.1717 34.604 -72.5461 34.604 22.6748 GPRESSAVG: 1754600 -57.7137 13.7 -70.2755 11.3236 47.6258 33.8616 -75.1317 36.6847 23.4906 TIMING: 1754600 CPU: 5482.64, 0.00312012/step Wall: 5482.64, 0.00312012/step, 2.81279 hours remaining, 235.281250 MB of memory in use. ENERGY: 1754600 4006.4429 20543.3558 14493.7887 263.5746 -202904.3262 2530.5061 0.0000 0.0000 52004.5775 -109062.0807 298.8710 -161066.6582 -108708.3140 299.3356 -90.6062 -62.9806 763483.3210 4.5041 4.4676 PRESSURE: 1754800 430.397 197.711 -11.4591 197.71 -238.11 -210.376 -11.4591 -210.376 139.503 GPRESSURE: 1754800 454.371 132.049 -112.04 212.087 -110.37 -204.711 75.5948 -164.88 77.4603 PRESSAVG: 1754800 5.98696 26.9943 -29.9881 26.9943 15.298 15.6916 -29.9881 15.6915 -13.9738 GPRESSAVG: 1754800 6.70768 26.0198 -31.3506 28.9246 16.788 16.4218 -28.5387 12.0823 -15.8898 TIMING: 1754800 CPU: 5483.26, 0.00311483/step Wall: 5483.26, 0.00311483/step, 2.80784 hours remaining, 235.281250 MB of memory in use. ENERGY: 1754800 3991.3652 20516.5440 14402.5900 241.3779 -203181.7797 2940.4416 0.0000 0.0000 51944.6325 -109144.8284 298.5265 -161089.4609 -108787.4320 299.5048 110.5965 140.4874 762200.3306 2.4371 2.5353 PRESSURE: 1755000 -130.804 -17.0833 24.6829 -17.0832 -327.22 2.15264 24.6831 2.15331 108.985 GPRESSURE: 1755000 -125.173 -29.1001 30.0497 48.5908 -259.669 -7.6123 -106.505 -115.923 107.695 PRESSAVG: 1755000 13.2038 -13.8083 -7.76493 -13.8084 -1.31054 14.3362 -7.76494 14.3362 10.8578 GPRESSAVG: 1755000 11.5708 -11.873 -7.56721 -14.1158 0.050347 12.5883 -7.9229 17.3041 10.7079 TIMING: 1755000 CPU: 5483.88, 0.00311495/step Wall: 5483.88, 0.00311495/step, 2.80778 hours remaining, 235.281250 MB of memory in use. ENERGY: 1755000 4014.0750 20521.5295 14389.3199 244.6330 -203171.6671 2836.0891 0.0000 0.0000 52039.1900 -109126.8306 299.0699 -161166.0206 -108777.6189 299.8303 -116.3466 -92.3824 761674.5270 7.5837 7.4430 PRESSURE: 1755200 281.876 -67.6531 -54.3527 -67.653 81.8859 -25.7759 -54.353 -25.7764 323.912 GPRESSURE: 1755200 338.281 10.8568 -27.2998 -120.668 95.9666 -26.7273 -29.0719 -33.0444 335.596 PRESSAVG: 1755200 -20.7586 8.86611 7.55113 8.86612 20.5421 -9.47786 7.55115 -9.4779 17.1573 GPRESSAVG: 1755200 -20.4882 6.99975 9.39842 8.90652 20.0618 -7.01618 8.05607 -11.9402 18.1451 TIMING: 1755200 CPU: 5484.5, 0.00310776/step Wall: 5484.5, 0.00310776/step, 2.80113 hours remaining, 235.281250 MB of memory in use. ENERGY: 1755200 3932.2561 20528.3468 14427.9808 262.8221 -203788.1469 3135.4827 0.0000 0.0000 52384.1751 -109117.0833 301.0526 -161501.2583 -108756.1209 299.8295 229.2247 256.6144 761716.2324 5.6469 5.9062 PRESSURE: 1755400 -383.528 -121.899 1.48276 -121.9 -5.13957 108.166 1.48227 108.166 149.651 GPRESSURE: 1755400 -337.427 -63.3809 4.51986 -32.2368 73.9577 118.333 -69.2382 45.7009 135.124 PRESSAVG: 1755400 40.5785 10.8254 17.3397 10.8254 -4.88164 27.4512 17.3397 27.4511 7.29924 GPRESSAVG: 1755400 41.2455 12.4206 16.7543 10.562 -5.62574 26.2664 17.4837 26.683 7.7852 TIMING: 1755400 CPU: 5485.12, 0.00310579/step Wall: 5485.12, 0.00310579/step, 2.79918 hours remaining, 235.281250 MB of memory in use. ENERGY: 1755400 3979.8022 20526.0388 14417.0927 233.4591 -203053.8163 2583.3466 0.0000 0.0000 52223.6686 -109090.4083 300.1301 -161314.0769 -108724.4816 300.0332 -79.6722 -42.7818 762513.0457 14.3320 14.4683 PRESSURE: 1755600 -20.9825 15.7314 -68.5808 15.7316 49.9513 -244.438 -68.5818 -244.437 -182.994 GPRESSURE: 1755600 25.6931 12.8624 -77.3689 -3.49608 59.2802 -258.69 1.88538 -157.578 -175.709 PRESSAVG: 1755600 -27.5413 7.95291 8.94692 7.95291 10.4879 36.4 8.94695 36.4 -10.2306 GPRESSAVG: 1755600 -27.484 7.16895 7.30576 7.48531 10.7224 36.0443 10.69 39.258 -10.4405 TIMING: 1755600 CPU: 5485.75, 0.00312642/step Wall: 5485.75, 0.00312642/step, 2.8176 hours remaining, 235.281250 MB of memory in use. ENERGY: 1755600 4013.7664 20587.0927 14492.1715 267.7003 -203514.6065 3039.4719 0.0000 0.0000 52063.2074 -109051.1964 299.2080 -161114.4038 -108695.1392 299.3738 -51.3417 -30.2453 762219.9079 -9.0947 -9.0673 PRESSURE: 1755800 -122.331 -198.911 27.7237 -198.911 -43.9741 312.546 27.7248 312.545 -174.85 GPRESSURE: 1755800 -54.4548 -177.288 68.7311 -196.029 -39.2566 399.458 12.3055 191.12 -185.104 PRESSAVG: 1755800 22.8803 -23.8161 50.4571 -23.8161 -23.7908 -41.834 50.4572 -41.834 -0.0833243 GPRESSAVG: 1755800 22.0807 -24.5255 50.7802 -25.5618 -22.6824 -41.6895 45.8728 -42.6074 -0.384544 TIMING: 1755800 CPU: 5486.37, 0.00312396/step Wall: 5486.37, 0.00312397/step, 2.81521 hours remaining, 235.281250 MB of memory in use. ENERGY: 1755800 3999.5380 20506.9723 14398.2048 255.7690 -203084.3480 2725.9606 0.0000 0.0000 52261.0420 -108936.8614 300.3449 -161197.9034 -108569.4008 299.9758 -113.7182 -92.9384 764242.0633 -0.3313 -0.3288 PRESSURE: 1756000 61.9388 54.6938 -65.4242 54.6932 -234.328 -142.62 -65.4242 -142.62 653.79 GPRESSURE: 1756000 56.8947 62.1529 -105.858 43.8536 -191.904 -125.161 12.953 -128.488 687.066 PRESSAVG: 1756000 15.4975 48.1813 8.47421 48.1813 -52.1222 27.2311 8.47423 27.2311 14.6623 GPRESSAVG: 1756000 16.3153 47.3692 8.01119 51.0693 -53.5253 28.2884 10.7802 27.767 15.2183 TIMING: 1756000 CPU: 5487, 0.0031387/step Wall: 5487, 0.0031387/step, 2.82832 hours remaining, 235.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1756000 3967.5623 20488.9908 14448.0409 237.0183 -203015.8433 2739.5815 0.0000 0.0000 52175.4958 -108959.1538 299.8533 -161134.6495 -108589.7367 299.9610 160.4669 184.0190 763629.2300 -7.3208 -7.3305 PRESSURE: 1756200 -118.899 -23.0686 -176.648 -23.0688 86.8098 -34.5375 -176.647 -34.5383 9.10112 GPRESSURE: 1756200 -28.4091 -89.4547 -62.0934 -58.5531 51.585 -36.4634 -261.072 24.8101 54.3998 PRESSAVG: 1756200 53.7731 16.22 6.82569 16.22 -19.0853 16.1903 6.8257 16.1903 -2.6753 GPRESSAVG: 1756200 53.4108 16.9079 9.05211 16.3283 -18.7943 15.0622 5.73061 15.8502 -2.98673 TIMING: 1756200 CPU: 5487.63, 0.0031306/step Wall: 5487.63, 0.0031306/step, 2.82084 hours remaining, 235.281250 MB of memory in use. ENERGY: 1756200 4020.4346 20472.2282 14448.1922 242.7988 -202820.4287 2574.9534 0.0000 0.0000 51935.8499 -109125.9715 298.4760 -161061.8214 -108773.4541 299.6889 -7.6628 25.8586 763216.2783 10.6709 10.5433 LDB: ============= START OF LOAD BALANCING ============== 5500.11 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5500.11 LDB: =============== DONE WITH MIGRATION ================ 5500.11 LDB: ============= START OF LOAD BALANCING ============== 5500.42 LDB: Largest compute 6972 load 0.031626 is 16.2% of average load 0.195117 LDB: Average compute 0.004398 is 2.3% of average load 0.195117 LDB: TIME 5500.43 LOAD: AVG 0.195117 MAX 0.21325 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.238 MB LDB: TIME 5500.43 LOAD: AVG 0.195117 MAX 0.21325 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.445 MB LDB: TIME 5500.43 LOAD: AVG 0.195117 MAX 0.21325 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.445 MB LDB: ============== END OF LOAD BALANCING =============== 5500.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5500.43 PRESSURE: 1756400 -12.853 98.1195 94.0101 98.1196 209.154 70.9015 94.0102 70.9001 -38.653 GPRESSURE: 1756400 -6.19059 52.0293 130.095 56.2119 193.289 140.468 30.1318 -136.408 42.2395 PRESSAVG: 1756400 50.057 -1.48121 33.4765 -1.4812 -25.3072 12.2759 33.4765 12.2759 2.17022 GPRESSAVG: 1756400 50.1682 -1.50423 30.7911 -5.33973 -26.7957 12.7832 32.4473 11.4804 2.90154 TIMING: 1756400 CPU: 5488.27, 0.00319748/step Wall: 5488.27, 0.00319748/step, 2.88093 hours remaining, 234.242188 MB of memory in use. ENERGY: 1756400 3948.2816 20566.5702 14448.7289 259.0662 -202988.5702 2547.8121 0.0000 0.0000 52217.4579 -109000.6534 300.0944 -161218.1113 -108640.6386 299.5285 52.5494 76.4459 762345.6067 8.9734 8.7580 PRESSURE: 1756600 -80.1025 19.5676 -66.1122 19.5682 -197.47 -136.48 -66.1136 -136.48 81.931 GPRESSURE: 1756600 -84.7535 -15.9635 6.38211 129.283 -45.68 -121.358 -48.8678 -112.833 15.6964 PRESSAVG: 1756600 5.50873 -48.264 -6.26182 -48.264 -1.28775 -3.75955 -6.26177 -3.7595 -1.07549 GPRESSAVG: 1756600 5.77392 -48.6071 -6.57976 -45.4033 -0.297636 -2.83137 -2.93178 -2.77882 -2.21971 TIMING: 1756600 CPU: 5488.89, 0.00312958/step Wall: 5488.89, 0.00312958/step, 2.81958 hours remaining, 234.445312 MB of memory in use. ENERGY: 1756600 4011.8300 20495.0711 14402.8723 260.5925 -203010.8305 2465.6690 0.0000 0.0000 52319.9518 -109054.8439 300.6835 -161374.7957 -108695.5996 299.8314 -65.2140 -38.2457 762157.3539 1.0485 1.0855 PRESSURE: 1756800 -166.782 60.1034 170.332 60.1032 -55.67 -12.0163 170.332 -12.0175 -153.278 GPRESSURE: 1756800 -154.484 93.8872 168.071 -54.7129 5.88629 29.17 0.727108 42.2922 -148.048 PRESSAVG: 1756800 -42.5799 -1.36822 45.6051 -1.36813 37.4164 47.1284 45.6052 47.1285 -10.5581 GPRESSAVG: 1756800 -43.1757 -0.952913 45.908 -0.66884 37.1504 45.7611 42.6215 47.6272 -10.2684 TIMING: 1756800 CPU: 5489.52, 0.00311818/step Wall: 5489.52, 0.00311818/step, 2.80913 hours remaining, 234.445312 MB of memory in use. ENERGY: 1756800 4061.6304 20584.0596 14363.8937 276.2559 -203302.6259 2756.3789 0.0000 0.0000 52258.8712 -109001.5362 300.3325 -161260.4074 -108641.4445 299.6241 -125.2434 -98.8821 762806.6752 -5.2405 -5.4312 PRESSURE: 1757000 330.18 -156.123 41.9279 -156.123 146.445 133.289 41.9282 133.291 -39.8955 GPRESSURE: 1757000 391.467 -13.893 -21.3478 -29.0972 97.7016 65.9613 168.229 23.8948 17.6113 PRESSAVG: 1757000 -64.1784 -8.46497 -64.6277 -8.46496 71.0809 46.8063 -64.6277 46.8064 -12.9823 GPRESSAVG: 1757000 -63.7178 -8.3451 -64.7685 -7.76976 70.8509 46.3574 -63.8673 46.3302 -13.1304 TIMING: 1757000 CPU: 5490.14, 0.00310698/step Wall: 5490.14, 0.00310698/step, 2.79887 hours remaining, 234.445312 MB of memory in use. ENERGY: 1757000 4056.8682 20343.3016 14407.8092 260.9315 -203235.6895 2791.5300 0.0000 0.0000 52298.4202 -109076.8289 300.5597 -161375.2491 -108705.4258 299.6760 145.5763 168.9265 761239.9870 -2.0266 -1.9991 PRESSURE: 1757200 -48.0935 42.8573 6.56189 42.8576 392.111 50.5412 6.563 50.5412 -101.18 GPRESSURE: 1757200 -11.7435 101.251 28.7516 72.2382 352.647 82.5508 -36.3934 34.2466 -16.5262 PRESSAVG: 1757200 -26.348 -32.7919 -31.0324 -32.7919 65.6602 42.2954 -31.0324 42.2953 -1.74184 GPRESSAVG: 1757200 -25.3232 -33.1065 -30.5133 -36.4437 64.8675 43.2209 -29.859 41.8051 -2.19691 TIMING: 1757200 CPU: 5490.76, 0.00312344/step Wall: 5490.76, 0.00312344/step, 2.81353 hours remaining, 234.445312 MB of memory in use. ENERGY: 1757200 4007.0804 20557.2610 14418.4489 238.4010 -203579.4256 3025.7815 0.0000 0.0000 51949.9867 -109382.4660 298.5573 -161332.4527 -109020.8301 299.4088 80.9460 108.1256 761466.2065 12.5234 12.4491 PRESSURE: 1757400 -322.429 33.0676 -54.2731 33.0684 -309.384 139.235 -54.2723 139.235 -284.83 GPRESSURE: 1757400 -250.591 58.2993 -71.6675 49.4415 -362.144 204.39 -44.6295 56.9075 -236.013 PRESSAVG: 1757400 -41.7084 8.59497 7.73428 8.59496 0.545573 57.9551 7.7343 57.9551 21.0411 GPRESSAVG: 1757400 -41.0854 9.15967 6.40097 11.4629 0.936993 59.1703 7.14943 57.4758 20.4333 TIMING: 1757400 CPU: 5491.39, 0.00311103/step Wall: 5491.39, 0.00311103/step, 2.80218 hours remaining, 234.445312 MB of memory in use. ENERGY: 1757400 4032.2415 20576.8193 14430.4032 265.3354 -203246.6273 2653.4690 0.0000 0.0000 51902.8255 -109385.5334 298.2863 -161288.3588 -109023.3869 298.9222 -305.5477 -282.9160 763781.3001 -6.7073 -6.5717 PRESSURE: 1757600 -292.018 29.9009 434.873 29.9003 -66.2507 85.1561 434.873 85.1564 97.646 GPRESSURE: 1757600 -245.108 95.6925 468.148 -19.8653 7.09428 69.4931 406.701 100.749 56.113 PRESSAVG: 1757600 -0.219348 -32.6994 54.2636 -32.6995 -14.4743 65.2748 54.2635 65.2747 -18.9693 GPRESSAVG: 1757600 -0.261692 -32.3438 54.7929 -31.7393 -14.0143 64.0092 54.8559 66.5874 -19.3808 TIMING: 1757600 CPU: 5492.01, 0.00311277/step Wall: 5492.01, 0.00311277/step, 2.80357 hours remaining, 234.445312 MB of memory in use. ENERGY: 1757600 3996.7288 20482.0868 14396.9674 228.9357 -203366.4864 2772.5922 0.0000 0.0000 52019.8026 -109469.3729 298.9585 -161489.1755 -109087.3483 298.6884 -86.8742 -60.6336 763959.5391 -11.2210 -11.2189 PRESSURE: 1757800 67.9197 -25.4011 9.03186 -25.4003 -345.113 71.6415 9.03095 71.6403 128.975 GPRESSURE: 1757800 19.3765 -57.6458 61.4398 -24.891 -219.086 20.4052 89.5248 64.0462 145.512 PRESSAVG: 1757800 -26.1531 -3.20913 47.4308 -3.20916 30.8816 36.3253 47.4307 36.3253 2.44346 GPRESSAVG: 1757800 -27.5957 -4.35491 49.3361 -4.64372 33.0504 35.6531 48.6965 36.7522 2.00719 TIMING: 1757800 CPU: 5492.63, 0.00309433/step Wall: 5492.63, 0.00309433/step, 2.78679 hours remaining, 234.445312 MB of memory in use. ENERGY: 1757800 3984.3958 20597.7269 14472.2589 236.7287 -203100.5577 2400.9283 0.0000 0.0000 52025.6247 -109382.8945 298.9920 -161408.5191 -109022.6562 299.0464 -49.4059 -18.0661 760779.7241 2.3907 2.4873 PRESSURE: 1758000 373.344 -29.288 189.783 -29.288 12.288 -96.381 189.783 -96.381 73.3056 GPRESSURE: 1758000 361.533 -43.9087 77.9345 99.44 63.0078 -154.862 191.617 -84.3107 104.478 PRESSAVG: 1758000 22.2277 -2.53564 -13.2397 -2.53569 -13.6729 42.975 -13.2396 42.975 3.30361 GPRESSAVG: 1758000 22.4826 -1.83685 -15.5373 -2.02426 -15.4983 44.7142 -13.6998 41.9425 4.97209 TIMING: 1758000 CPU: 5493.25, 0.00310799/step Wall: 5493.25, 0.00310799/step, 2.79891 hours remaining, 234.445312 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: 1758000 4020.0438 20604.4288 14382.2046 254.5752 -203522.3034 2825.0123 0.0000 0.0000 51912.0658 -109523.9729 298.3394 -161436.0387 -109163.9406 298.6010 152.9790 176.3395 761054.2743 3.9528 3.9855 PRESSURE: 1758200 -108.818 51.7395 -69.1057 51.7394 80.5522 101.24 -69.1055 101.24 -122.328 GPRESSURE: 1758200 -73.4727 168.461 -151.174 -74.5544 79.7291 75.4845 -37.7356 162.454 -77.3931 PRESSAVG: 1758200 0.958701 -25.9471 -23.7124 -25.9471 -32.2449 -13.539 -23.7125 -13.5389 0.350487 GPRESSAVG: 1758200 1.07658 -25.1248 -23.7332 -27.3417 -32.0444 -13.6266 -25.2778 -14.7407 0.270332 TIMING: 1758200 CPU: 5493.87, 0.0031214/step Wall: 5493.87, 0.0031214/step, 2.81082 hours remaining, 234.445312 MB of memory in use. ENERGY: 1758200 4075.7798 20482.5113 14372.4340 254.0619 -203296.4008 2736.9561 0.0000 0.0000 52037.5934 -109337.0643 299.0608 -161374.6576 -108977.6139 298.6074 -50.1979 -23.7122 761750.8476 -10.3119 -10.2325 PRESSURE: 1758400 101.768 -253.672 -31.9546 -253.672 481.081 95.9929 -31.9543 95.9925 200.843 GPRESSURE: 1758400 193.791 -162.084 -29.1416 -165.835 485.012 101.559 28.0698 68.7636 200.864 PRESSAVG: 1758400 -6.52647 -16.7768 -28.7076 -16.7769 16.1772 15.8082 -28.7076 15.8082 5.84647 GPRESSAVG: 1758400 -6.67249 -18.142 -27.4401 -13.8661 16.3502 17.0011 -29.3012 15.2171 5.58632 TIMING: 1758400 CPU: 5494.5, 0.00312987/step Wall: 5494.5, 0.00312987/step, 2.81827 hours remaining, 234.445312 MB of memory in use. ENERGY: 1758400 3982.1938 20479.0116 14483.2221 248.2602 -203559.1283 2801.8102 0.0000 0.0000 52176.1535 -109388.4770 299.8571 -161564.6305 -109031.4479 299.2926 261.2306 293.2224 760159.8517 5.1657 5.0880 PRESSURE: 1758600 39.2017 43.1512 -47.5732 43.151 -252.998 -188.41 -47.5731 -188.409 -64.6789 GPRESSURE: 1758600 109.929 -50.4454 0.505532 33.2615 -200.536 -125.065 -131.032 22.8869 -103.935 PRESSAVG: 1758600 34.0322 21.4938 -42.3996 21.4937 -58.45 52.478 -42.3996 52.4779 -3.46788 GPRESSAVG: 1758600 33.4069 19.9227 -42.868 21.0717 -59.011 50.1881 -42.6923 53.9365 -2.75779 TIMING: 1758600 CPU: 5495.12, 0.00311511/step Wall: 5495.12, 0.00311511/step, 2.80481 hours remaining, 234.445312 MB of memory in use. ENERGY: 1758600 3954.1633 20525.7663 14464.6032 245.6918 -203394.1656 2613.9638 0.0000 0.0000 52187.9478 -109402.0295 299.9249 -161589.9773 -109039.3259 298.9265 -92.8252 -64.8473 761224.7860 -9.2952 -9.4540 PRESSURE: 1758800 163.195 19.389 36.8033 19.3892 -383.443 -30.5164 36.8035 -30.5168 236.163 GPRESSURE: 1758800 248.681 69.4642 52.2169 112.909 -371.131 -27.4261 10.742 -63.876 197.359 PRESSAVG: 1758800 15.6842 54.3905 -42.4899 54.3905 13.3574 6.18638 -42.4899 6.18641 27.0032 GPRESSAVG: 1758800 17.2065 55.6232 -42.711 53.2325 12.243 5.69212 -42.95 8.4279 26.0959 TIMING: 1758800 CPU: 5495.75, 0.00312776/step Wall: 5495.75, 0.00312776/step, 2.81603 hours remaining, 234.445312 MB of memory in use. ENERGY: 1758800 3995.9880 20639.4771 14427.8375 258.9690 -203232.4161 2557.6583 0.0000 0.0000 51941.9956 -109410.4905 298.5114 -161352.4861 -109053.8506 299.0662 5.3050 24.9698 760805.2998 18.6816 18.5151 PRESSURE: 1759000 120.79 -123.363 -212.146 -123.362 213.035 -87.7293 -212.146 -87.7302 88.8773 GPRESSURE: 1759000 201.218 -55.4229 -142.806 -108.644 222.55 -52.8026 -203.105 -219.92 77.3592 PRESSAVG: 1759000 22.01 -28.3419 -24.8489 -28.342 29.897 35.4395 -24.8488 35.4394 19.2147 GPRESSAVG: 1759000 21.0695 -27.1421 -24.6433 -27.8416 31.4968 35.9836 -24.5858 32.4503 18.2973 TIMING: 1759000 CPU: 5496.37, 0.00313553/step Wall: 5496.37, 0.00313553/step, 2.82285 hours remaining, 234.445312 MB of memory in use. ENERGY: 1759000 4013.7859 20639.7648 14452.1405 251.5873 -203703.0841 2792.9086 0.0000 0.0000 52070.2930 -109482.6040 299.2487 -161552.8970 -109110.6443 298.7654 140.9006 167.0425 762348.0872 23.7072 23.6212 PRESSURE: 1759200 -128.513 -89.5479 54.0512 -89.5479 76.7341 22.7206 54.052 22.7197 -181.66 GPRESSURE: 1759200 -108.086 -104.667 72.5154 -103.325 93.0208 81.8465 70.3004 123.812 -158.188 PRESSAVG: 1759200 18.6339 11.5726 10.0571 11.5726 17.8054 63.398 10.0572 63.3981 5.50398 GPRESSAVG: 1759200 18.0207 11.0948 8.14284 10.66 18.5389 63.5668 9.48235 64.6348 5.30201 TIMING: 1759200 CPU: 5497, 0.00311541/step Wall: 5497, 0.00311541/step, 2.80457 hours remaining, 234.445312 MB of memory in use. ENERGY: 1759200 3938.9502 20549.0089 14420.6744 251.9663 -203222.7843 2601.1583 0.0000 0.0000 52165.9367 -109295.0896 299.7984 -161461.0262 -108926.7096 299.2705 -77.8130 -57.7512 760700.8709 13.9811 13.9539 PRESSURE: 1759400 -120.539 -344.035 -250.674 -344.035 -330.863 -16.9909 -250.674 -16.9913 40.7145 GPRESSURE: 1759400 -103.581 -447.592 -140.005 -196.517 -287.107 47.0764 -201.994 143.963 57.4095 PRESSAVG: 1759400 -23.552 10.1331 11.696 10.1332 20.1271 27.8834 11.6961 27.8834 -12.7215 GPRESSAVG: 1759400 -23.9035 10.6149 13.626 10.4263 19.7712 28.2624 13.4334 28.8591 -11.5997 TIMING: 1759400 CPU: 5497.62, 0.00309514/step Wall: 5497.62, 0.00309514/step, 2.78614 hours remaining, 234.445312 MB of memory in use. ENERGY: 1759400 3993.7293 20598.6111 14426.6218 247.6145 -203015.4413 2526.2523 0.0000 0.0000 51851.6874 -109370.9249 297.9924 -161222.6123 -108995.0872 299.1905 -136.8958 -111.0929 761976.2777 -5.3822 -5.2440 PRESSURE: 1759600 157.67 -133.258 -10.7229 -133.258 -127.813 -83.8284 -10.7222 -83.8277 -192.617 GPRESSURE: 1759600 137.682 -25.925 14.984 -243.387 3.28016 -37.0719 -15.0157 -103.906 -219.061 PRESSAVG: 1759600 -37.7092 -13.1096 -80.1723 -13.1097 28.3653 26.1896 -80.1724 26.1896 17.4019 GPRESSAVG: 1759600 -36.2887 -13.5701 -80.735 -12.478 27.297 26.869 -80.9145 22.912 17.1496 TIMING: 1759600 CPU: 5498.24, 0.00311057/step Wall: 5498.24, 0.00311057/step, 2.79986 hours remaining, 234.445312 MB of memory in use. ENERGY: 1759600 3963.2270 20661.8064 14391.8912 274.1534 -203654.7746 3042.3540 0.0000 0.0000 51964.2310 -109357.1116 298.6392 -161321.3426 -109005.5150 299.2640 -54.2535 -26.0329 762539.5203 2.6860 2.7193 PRESSURE: 1759800 -104.516 -166.874 156.317 -166.873 -244.251 148.759 156.317 148.76 170.538 GPRESSURE: 1759800 -162.854 -200.785 122.06 31.6277 -83.329 114.762 217.636 101.013 142.453 PRESSAVG: 1759800 -2.07722 -19.8421 -65.3035 -19.8421 -6.58101 14.4375 -65.3035 14.4376 -10.3237 GPRESSAVG: 1759800 -3.80952 -19.7386 -64.8643 -21.2109 -5.21473 13.0062 -63.8751 16.0167 -9.27871 TIMING: 1759800 CPU: 5498.87, 0.00313611/step Wall: 5498.87, 0.00313611/step, 2.82267 hours remaining, 234.445312 MB of memory in use. ENERGY: 1759800 3904.5948 20308.6550 14406.1339 252.0023 -203110.9859 2599.2869 0.0000 0.0000 52119.7210 -109520.5919 299.5328 -161640.3130 -109154.7193 298.6590 -59.4098 -34.5767 764514.4092 -6.3273 -6.1010 PRESSURE: 1760000 156.241 134.654 184.821 134.654 -188.812 58.2071 184.82 58.2076 -90.8415 GPRESSURE: 1760000 172.482 133.789 186.11 55.8148 -216.655 110.548 70.091 16.1881 14.3708 PRESSAVG: 1760000 -1.80935 -3.34727 -13.0572 -3.3473 -19.8098 66.8053 -13.0571 66.8054 -7.19482 GPRESSAVG: 1760000 -0.860213 -3.83163 -14.3696 -2.6787 -19.9926 67.1719 -14.8479 68.7663 -7.6316 TIMING: 1760000 CPU: 5499.49, 0.0031167/step Wall: 5499.49, 0.0031167/step, 2.80503 hours remaining, 234.445312 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: 1760000 3915.4515 20465.3946 14441.2506 229.4625 -203203.2384 2711.7923 0.0000 0.0000 51862.5581 -109577.3287 298.0548 -161439.8869 -109217.5678 298.4075 -41.1375 -9.9339 764147.7131 -9.6047 -9.4948 PRESSURE: 1760200 -368.578 59.5689 -133.11 59.5695 -578.37 -167.038 -133.11 -167.038 -456.15 GPRESSURE: 1760200 -385.924 -6.35987 -198.676 -1.04215 -538.819 -175.342 -40.1443 -178.082 -367.574 PRESSAVG: 1760200 61.4906 31.2068 9.13638 31.2068 -61.3046 -20.4938 9.13632 -20.4938 -7.2478 GPRESSAVG: 1760200 61.574 30.9411 10.2748 29.751 -62.3316 -21.6617 9.65362 -20.4786 -5.90895 TIMING: 1760200 CPU: 5500.11, 0.00310475/step Wall: 5500.11, 0.00310475/step, 2.7941 hours remaining, 234.445312 MB of memory in use. ENERGY: 1760200 3987.1600 20436.7113 14427.5445 229.1606 -203090.7708 2368.1525 0.0000 0.0000 51928.3503 -109713.6916 298.4329 -161642.0420 -109349.0915 298.0774 -467.6996 -430.7725 764488.3548 -2.3540 -2.2222 LDB: ============= START OF LOAD BALANCING ============== 5512.59 LDB: ============== END OF LOAD BALANCING =============== 5512.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5512.59 LDB: ============= START OF LOAD BALANCING ============== 5512.9 LDB: Largest compute 6972 load 0.031094 is 15.9% of average load 0.195007 LDB: Average compute 0.004400 is 2.3% of average load 0.195007 LDB: TIME 5512.91 LOAD: AVG 0.195007 MAX 0.214248 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.051 MB LDB: TIME 5512.91 LOAD: AVG 0.195007 MAX 0.214248 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.055 MB LDB: TIME 5512.91 LOAD: AVG 0.195007 MAX 0.214248 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.055 MB LDB: ============== END OF LOAD BALANCING =============== 5512.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5512.91 PRESSURE: 1760400 -99.7873 154.903 -83.9235 154.903 70.7987 -29.7943 -83.9231 -29.7944 -183.514 GPRESSURE: 1760400 -73.2593 151.536 -142.654 207.325 149.201 35.1203 -77.2366 -9.84969 -201.735 PRESSAVG: 1760400 -3.1008 15.6941 -52.0774 15.6941 -19.9459 49.5998 -52.0774 49.5998 -5.67342 GPRESSAVG: 1760400 -1.86729 14.0238 -51.7637 17.6129 -19.8842 52.0399 -51.5841 49.4789 -7.32084 TIMING: 1760400 CPU: 5500.75, 0.00318287/step Wall: 5500.75, 0.00318287/step, 2.86423 hours remaining, 234.312500 MB of memory in use. ENERGY: 1760400 3955.6862 20482.6449 14410.3452 253.7464 -203138.6258 2515.5845 0.0000 0.0000 51855.2225 -109665.3961 298.0127 -161520.6186 -109310.4369 298.1887 -70.8344 -41.9313 761893.3432 -9.5734 -9.6908 PRESSURE: 1760600 51.0445 -104.063 66.8367 -104.063 249.522 160.411 66.8371 160.411 85.3206 GPRESSURE: 1760600 130.874 -171.272 44.4333 28.3557 273.692 148.048 -17.4794 159.35 55.4918 PRESSAVG: 1760600 2.63204 1.74278 -62.7294 1.74273 -14.0993 22.5795 -62.7294 22.5795 20.5364 GPRESSAVG: 1760600 1.22388 2.83305 -62.8635 2.43999 -12.084 20.9683 -64.3312 21.5359 20.3399 TIMING: 1760600 CPU: 5501.37, 0.00311425/step Wall: 5501.37, 0.00311425/step, 2.80231 hours remaining, 234.312500 MB of memory in use. ENERGY: 1760600 3970.2056 20426.3045 14383.2333 260.6845 -203554.8823 2764.7863 0.0000 0.0000 52187.0925 -109562.5757 299.9199 -161749.6682 -109196.9465 298.5556 128.6290 153.3526 761112.6994 3.0231 3.1599 PRESSURE: 1760800 -104.772 84.5579 -109.226 84.5565 408.339 117.42 -109.226 117.418 562.789 GPRESSURE: 1760800 73.2051 76.9113 -131.856 98.3231 413.762 72.9851 -155.253 250.294 458.477 PRESSAVG: 1760800 36.2791 18.2148 -91.4577 18.2148 -43.6086 21.7074 -91.4578 21.7074 1.15918 GPRESSAVG: 1760800 37.3228 19.7326 -92.4748 17.3366 -45.2045 22.5184 -90.6868 22.4444 2.2438 TIMING: 1760800 CPU: 5501.99, 0.00311352/step Wall: 5501.99, 0.00311352/step, 2.80147 hours remaining, 234.312500 MB of memory in use. ENERGY: 1760800 3873.0338 20542.3293 14416.9499 264.6851 -203347.5150 2832.0769 0.0000 0.0000 52014.8786 -109403.5614 298.9302 -161418.4401 -109036.3356 299.1253 288.7854 315.1481 762885.0803 -2.0568 -1.8793 PRESSURE: 1761000 46.7763 149.188 -51.4717 149.188 -76.1475 128.087 -51.4714 128.085 -31.2434 GPRESSURE: 1761000 63.1232 24.2092 -35.3768 95.0706 -11.9531 226.481 -19.2072 150.204 -19.287 PRESSAVG: 1761000 6.67968 14.6901 8.11473 14.6901 -1.94933 39.8962 8.11466 39.8962 -4.63768 GPRESSAVG: 1761000 6.09967 12.9919 8.66387 14.2979 -1.68317 40.478 7.3771 39.3475 -4.35982 TIMING: 1761000 CPU: 5502.62, 0.00313587/step Wall: 5502.62, 0.00313587/step, 2.82141 hours remaining, 234.312500 MB of memory in use. ENERGY: 1761000 3874.7553 20513.5335 14348.3146 266.8058 -203050.1581 2722.9759 0.0000 0.0000 51962.1861 -109361.5869 298.6274 -161323.7730 -109002.2274 299.1081 -20.2049 10.6277 762954.1177 0.0309 0.0189 PRESSURE: 1761200 155.652 -69.7234 -81.5409 -69.7231 22.5144 -148.954 -81.5405 -148.954 116.157 GPRESSURE: 1761200 251.256 -143.817 -132.303 -73.192 50.2333 -84.6816 -92.5801 -77.4396 83.8832 PRESSAVG: 1761200 34.9335 -11.1614 -36.6155 -11.1614 -48.406 -7.6348 -36.6155 -7.63488 18.5093 GPRESSAVG: 1761200 35.7964 -10.6818 -36.681 -9.22583 -48.6704 -9.54239 -36.4966 -9.19374 17.7802 TIMING: 1761200 CPU: 5503.24, 0.00311867/step Wall: 5503.24, 0.00311867/step, 2.80577 hours remaining, 234.312500 MB of memory in use. ENERGY: 1761200 3980.5348 20399.6066 14424.3071 246.6671 -203412.3161 2959.0552 0.0000 0.0000 52086.2604 -109315.8849 299.3405 -161402.1453 -108956.2548 299.2512 98.1079 128.4574 763941.2026 1.6789 1.6354 PRESSURE: 1761400 -65.425 -78.3715 92.2753 -78.3718 -45.3024 170.304 92.2755 170.305 33.1529 GPRESSURE: 1761400 -4.27286 -119.207 165.143 -41.1058 -30.9456 211.599 -49.1131 131.604 34.011 PRESSAVG: 1761400 64.5551 6.20225 -61.1644 6.20223 -49.5901 13.0197 -61.1645 13.0197 26.9042 GPRESSAVG: 1761400 64.3889 4.5396 -63.0226 4.25486 -49.323 14.2214 -58.8139 15.654 26.4955 TIMING: 1761400 CPU: 5503.87, 0.00311298/step Wall: 5503.87, 0.00311298/step, 2.80048 hours remaining, 234.312500 MB of memory in use. ENERGY: 1761400 4069.8388 20541.3441 14387.6172 243.3567 -203400.0009 2888.1295 0.0000 0.0000 52161.4419 -109108.2727 299.7725 -161269.7146 -108759.6110 299.2357 -25.8582 -0.4025 763097.6755 13.9564 13.8538 PRESSURE: 1761600 56.95 52.1462 -73.595 52.147 -230.739 -15.3432 -73.5951 -15.343 1.0174 GPRESSURE: 1761600 30.6799 198.288 13.6146 27.0098 -195.654 59.0116 33.5639 -109.882 73.7746 PRESSAVG: 1761600 96.1286 8.91248 -24.4879 8.91249 -79.3628 5.1468 -24.4879 5.14683 -14.6699 GPRESSAVG: 1761600 95.1625 12.8108 -23.2393 7.83711 -79.1917 4.85367 -25.8443 3.85413 -13.4782 TIMING: 1761600 CPU: 5504.49, 0.00311159/step Wall: 5504.49, 0.00311159/step, 2.79905 hours remaining, 234.312500 MB of memory in use. ENERGY: 1761600 3890.5155 20692.4654 14396.4593 258.1720 -203214.2756 2544.6297 0.0000 0.0000 52154.0009 -109278.0328 299.7298 -161432.0337 -108911.2837 299.5061 -57.5905 -30.4000 763197.9373 0.6987 0.8309 PRESSURE: 1761800 75.6841 -143.797 154.181 -143.798 133.838 -27.953 154.181 -27.9529 -64.8895 GPRESSURE: 1761800 53.9723 -96.1652 179.956 -175.145 121.038 80.5496 54.2643 62.707 51.2227 PRESSAVG: 1761800 20.6267 -27.3591 -19.6954 -27.359 -11.5003 -5.40061 -19.6954 -5.40056 -8.53288 GPRESSAVG: 1761800 21.2353 -28.8341 -20.7073 -25.9038 -11.8567 -3.9286 -21.4894 -5.27627 -8.78486 TIMING: 1761800 CPU: 5505.11, 0.0031156/step Wall: 5505.11, 0.0031156/step, 2.80248 hours remaining, 234.312500 MB of memory in use. ENERGY: 1761800 4065.2409 20640.3334 14478.4293 228.8188 -203563.0929 3174.8821 0.0000 0.0000 51859.8674 -109115.5210 298.0394 -160975.3884 -108757.5270 299.5736 48.2109 75.4109 764095.9915 0.1978 0.1979 PRESSURE: 1762000 240.341 -5.1489 -78.5389 -5.14933 -68.2123 46.9696 -78.5382 46.9698 287.505 GPRESSURE: 1762000 258.721 5.31555 -94.5028 -56.4532 -37.4706 8.8307 -8.43013 54.0196 322.589 PRESSAVG: 1762000 84.9346 64.1944 -5.61816 64.1944 -37.9747 28.0099 -5.6181 28.0099 0.716708 GPRESSAVG: 1762000 85.399 62.7106 -4.21121 63.3382 -38.4353 24.0802 -3.21714 30.9892 0.567878 TIMING: 1762000 CPU: 5505.73, 0.00311706/step Wall: 5505.73, 0.00311706/step, 2.80362 hours remaining, 234.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1762000 4049.1147 20404.5553 14440.0832 243.5348 -203490.8293 2965.4102 0.0000 0.0000 52162.9186 -109225.2126 299.7810 -161388.1312 -108866.0120 299.7727 153.2112 181.2797 760935.6745 15.8922 15.8439 PRESSURE: 1762200 3.60396 -35.1606 -66.6366 -35.1602 -58.1705 235.541 -66.6367 235.542 -8.10399 GPRESSURE: 1762200 43.9511 -36.2949 -86.4572 126.686 -82.4012 287.351 -140.763 153.403 62.5257 PRESSAVG: 1762200 17.8745 -58.8011 -18.4594 -58.8012 -31.1842 -21.1596 -18.4594 -21.1596 -6.48836 GPRESSAVG: 1762200 17.9407 -56.7991 -19.3158 -56.3393 -31.5057 -18.2925 -19.5072 -24.7312 -6.05192 TIMING: 1762200 CPU: 5506.36, 0.00311281/step Wall: 5506.36, 0.00311281/step, 2.79963 hours remaining, 234.312500 MB of memory in use. ENERGY: 1762200 3961.9035 20485.0737 14408.9391 234.2521 -203108.2867 2620.5478 0.0000 0.0000 51912.8144 -109484.7560 298.3437 -161397.5704 -109121.0096 299.3836 -20.8902 8.0252 762094.2859 -6.5994 -6.5390 PRESSURE: 1762400 -94.4596 -22.3669 -126.013 -22.3661 -74.5588 -33.0433 -126.012 -33.0437 -238.47 GPRESSURE: 1762400 -36.2321 -64.561 -155.247 -31.0589 -51.9399 3.24036 -107.511 8.55343 -243.519 PRESSAVG: 1762400 -2.6892 -25.2945 -22.1784 -25.2945 27.377 37.9998 -22.1784 37.9997 -2.57874 GPRESSAVG: 1762400 -1.68846 -26.9518 -20.4725 -27.2149 27.3376 36.1434 -23.4743 37.3274 -3.81077 TIMING: 1762400 CPU: 5506.98, 0.00311653/step Wall: 5506.98, 0.00311652/step, 2.80279 hours remaining, 234.312500 MB of memory in use. ENERGY: 1762400 4018.2708 20516.4750 14393.4069 236.2269 -203557.7001 2816.3567 0.0000 0.0000 52135.1825 -109441.7814 299.6216 -161576.9639 -109072.7956 298.9689 -135.8295 -110.5637 761565.2396 7.3697 7.2795 PRESSURE: 1762600 203.22 -98.4948 -178.44 -98.4954 116.789 -164.962 -178.438 -164.962 191.613 GPRESSURE: 1762600 301.534 48.5538 -69.073 -117.686 203.161 -119.743 -152.555 -55.486 79.1964 PRESSAVG: 1762600 37.3362 -29.2433 -40.7649 -29.2433 1.45344 -11.3539 -40.7649 -11.3539 -7.59436 GPRESSAVG: 1762600 35.8178 -28.3663 -41.9671 -28.4052 1.89244 -8.96364 -38.3767 -8.60879 -5.97981 TIMING: 1762600 CPU: 5507.6, 0.00312088/step Wall: 5507.6, 0.00312088/step, 2.80654 hours remaining, 234.312500 MB of memory in use. ENERGY: 1762600 3923.3075 20441.5657 14425.6875 241.0793 -203411.1501 2702.0938 0.0000 0.0000 52159.4836 -109517.9327 299.7613 -161677.4163 -109153.5194 299.0876 170.5407 194.6305 760970.5069 10.3984 10.5768 PRESSURE: 1762800 56.8651 37.0106 75.0561 37.0098 -119.091 -111.412 75.0559 -111.412 118.177 GPRESSURE: 1762800 -1.9371 57.9586 17.2521 -51.3081 -27.4568 -122.968 81.4434 -125.456 188.756 PRESSAVG: 1762800 -4.31763 40.5208 -55.377 40.5208 -3.58032 13.1107 -55.3769 13.1107 12.0128 GPRESSAVG: 1762800 -2.83161 39.9063 -58.6157 40.1024 -3.53846 12.6933 -54.8297 10.8653 10.7458 TIMING: 1762800 CPU: 5508.23, 0.00310527/step Wall: 5508.23, 0.00310527/step, 2.79233 hours remaining, 234.312500 MB of memory in use. ENERGY: 1762800 3969.5697 20430.3025 14396.0213 261.5732 -203605.7562 2750.2897 0.0000 0.0000 52193.0766 -109604.9232 299.9543 -161797.9998 -109242.5064 299.0243 18.6502 53.1208 760629.9754 1.3716 1.4586 PRESSURE: 1763000 -341.202 -127.919 -282.53 -127.919 -318.508 44.2984 -282.53 44.2971 -274.744 GPRESSURE: 1763000 -322.534 -135.924 -243.297 -208.456 -308.543 11.7983 -408.082 -48.9159 -208.107 PRESSAVG: 1763000 -23.2903 -3.5256 -3.28637 -3.52563 21.6736 34.8438 -3.28639 34.8438 -12.8337 GPRESSAVG: 1763000 -24.5075 -3.28125 -0.798623 -4.59034 22.748 33.7661 -4.12543 38.8496 -13.1328 TIMING: 1763000 CPU: 5508.85, 0.00310866/step Wall: 5508.85, 0.00310866/step, 2.7952 hours remaining, 234.312500 MB of memory in use. ENERGY: 1763000 4025.7484 20607.2485 14396.8373 252.8685 -203199.4949 2577.8209 0.0000 0.0000 51955.5926 -109383.3787 298.5895 -161338.9713 -109025.0433 298.9638 -311.4844 -279.7279 762976.2228 -4.8168 -4.9641 PRESSURE: 1763200 91.6977 -98.569 -166.037 -98.568 261.067 155.691 -166.037 155.691 229.61 GPRESSURE: 1763200 123.252 -77.787 -192.389 78.4594 255.416 45.8008 -255.084 127.177 273.69 PRESSAVG: 1763200 -45.7057 -42.1803 -14.2191 -42.1803 33.7854 -23.8924 -14.2191 -23.8923 -8.89398 GPRESSAVG: 1763200 -45.6038 -40.5487 -14.0015 -40.4653 32.7318 -23.9867 -14.2232 -28.2744 -7.55951 TIMING: 1763200 CPU: 5509.47, 0.00310705/step Wall: 5509.47, 0.00310704/step, 2.79358 hours remaining, 234.312500 MB of memory in use. ENERGY: 1763200 4008.8339 20613.9698 14355.8115 228.6250 -203238.3005 2594.5871 0.0000 0.0000 51860.1693 -109576.3038 298.0411 -161436.4731 -109219.7361 298.5643 194.1247 217.4526 762496.1646 -6.9381 -6.8105 PRESSURE: 1763400 -49.2477 -85.3932 136.601 -85.3943 260.376 48.675 136.601 48.6765 -289.993 GPRESSURE: 1763400 44.5326 -64.8196 238.178 -104.794 201.008 110.347 113.789 140.596 -217.22 PRESSAVG: 1763400 -21.3388 -25.7361 9.97743 -25.7361 -14.2093 30.0795 9.97744 30.0795 9.51334 GPRESSAVG: 1763400 -20.2307 -26.2945 9.9314 -27.1922 -13.509 30.9329 8.57116 31.284 8.11989 TIMING: 1763400 CPU: 5510.09, 0.00312457/step Wall: 5510.09, 0.00312457/step, 2.80916 hours remaining, 234.312500 MB of memory in use. ENERGY: 1763400 4060.8402 20563.5437 14427.0064 241.4753 -203250.5234 2720.9977 0.0000 0.0000 51653.7204 -109582.9398 296.8546 -161236.6602 -109225.2795 298.2433 -26.2882 9.4400 763345.8845 -8.6782 -8.5399 PRESSURE: 1763600 -96.2828 111.492 -36.0784 111.493 -115.837 -90.8033 -36.0787 -90.8033 -429.763 GPRESSURE: 1763600 -102.163 24.2219 -96.7058 224.692 -43.6061 -74.724 83.1567 -0.971594 -409.465 PRESSAVG: 1763600 -8.62356 -49.5055 17.1379 -49.5055 12.4562 36.8525 17.1378 36.8525 15.9394 GPRESSAVG: 1763600 -8.30375 -49.7625 15.865 -49.1301 12.2463 36.1186 17.9649 39.4362 16.3029 TIMING: 1763600 CPU: 5510.72, 0.00311235/step Wall: 5510.72, 0.00311235/step, 2.798 hours remaining, 234.312500 MB of memory in use. ENERGY: 1763600 4124.8785 20517.3290 14408.2246 237.9865 -203270.5604 2518.2184 0.0000 0.0000 51952.6199 -109511.3035 298.5724 -161463.9234 -109149.5822 298.8440 -213.9611 -185.0779 763527.0277 6.5907 6.7485 PRESSURE: 1763800 -289.315 222.021 -6.51961 222.02 -36.696 -163.455 -6.51862 -163.455 10.476 GPRESSURE: 1763800 -267.65 157.221 -59.1114 137.084 -66.4338 -179.576 -8.18171 -129.31 86.0046 PRESSAVG: 1763800 24.8474 12.162 -21.8446 12.162 24.8249 20.2348 -21.8446 20.2349 14.0803 GPRESSAVG: 1763800 25.0828 11.4413 -21.0452 13.0542 24.9367 19.7349 -21.7938 17.2489 13.9149 TIMING: 1763800 CPU: 5511.34, 0.00314199/step Wall: 5511.34, 0.00314199/step, 2.82447 hours remaining, 234.312500 MB of memory in use. ENERGY: 1763800 3982.2322 20558.8418 14413.4540 266.4383 -203530.5293 2830.6252 0.0000 0.0000 52012.3491 -109466.5887 298.9157 -161478.9379 -109102.8851 299.4094 -105.1784 -82.6931 761560.8410 21.2509 21.3115 PRESSURE: 1764000 -140.622 -212.133 -2.64532 -212.132 41.5745 227.991 -2.64532 227.99 -370.189 GPRESSURE: 1764000 -83.3575 -208.826 67.0743 -254.813 51.0341 160.678 -136.826 208.086 -369.318 PRESSAVG: 1764000 46.0398 -40.8041 -15.3921 -40.8041 -46.0109 -14.0341 -15.3921 -14.0341 -5.79819 GPRESSAVG: 1764000 46.7105 -37.9846 -15.8603 -43.2 -46.7577 -13.4049 -15.4984 -13.5008 -5.74202 TIMING: 1764000 CPU: 5511.97, 0.00313277/step Wall: 5511.97, 0.00313277/step, 2.81601 hours remaining, 234.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1764000 4010.4724 20586.7702 14431.6233 226.3976 -203549.3984 2778.4862 0.0000 0.0000 52243.4433 -109272.2055 300.2438 -161515.6487 -108905.2242 299.1833 -156.4119 -133.8804 761943.2018 -1.9231 -1.9298 PRESSURE: 1764200 69.3611 -102.749 78.7111 -102.749 297.652 165.667 78.7106 165.668 239.159 GPRESSURE: 1764200 100.369 -40.9111 -18.7506 -107.185 329.294 215.044 93.6034 181.647 251.634 PRESSAVG: 1764200 6.63118 -21.714 -37.7391 -21.714 39.548 31.7182 -37.7391 31.7182 -1.82396 GPRESSAVG: 1764200 5.42988 -24.1942 -34.6417 -17.8279 40.2878 31.7165 -38.9348 30.7581 -1.60247 TIMING: 1764200 CPU: 5512.6, 0.00312762/step Wall: 5512.6, 0.00312762/step, 2.81121 hours remaining, 234.312500 MB of memory in use. ENERGY: 1764200 4013.9056 20684.2883 14461.7017 264.6810 -203370.3749 2762.0721 0.0000 0.0000 52265.8171 -108917.9092 300.3724 -161183.7263 -108552.2599 299.7874 202.0575 227.0989 761119.2098 14.7851 14.7051 LDB: ============= START OF LOAD BALANCING ============== 5525.07 LDB: ============== END OF LOAD BALANCING =============== 5525.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5525.08 LDB: ============= START OF LOAD BALANCING ============== 5525.39 LDB: Largest compute 6985 load 0.030806 is 15.8% of average load 0.195008 LDB: Average compute 0.004389 is 2.3% of average load 0.195008 LDB: TIME 5525.39 LOAD: AVG 0.195008 MAX 0.21573 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.512 MB LDB: TIME 5525.39 LOAD: AVG 0.195008 MAX 0.21573 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.512 MB LDB: TIME 5525.39 LOAD: AVG 0.195008 MAX 0.21573 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.512 MB LDB: ============== END OF LOAD BALANCING =============== 5525.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5525.4 PRESSURE: 1764400 38.3344 114.549 15.733 114.55 -107.223 -33.7317 15.7331 -33.731 124.047 GPRESSURE: 1764400 168.253 76.3953 -99.1371 94.7072 -86.8793 -25.4805 -2.49938 4.22126 59.4167 PRESSAVG: 1764400 -42.931 9.93803 -34.6791 9.93804 3.14761 42.6408 -34.6791 42.6407 -1.12199 GPRESSAVG: 1764400 -43.3135 11.5251 -36.708 9.04975 3.10445 43.1518 -36.3213 42.5163 -1.04924 TIMING: 1764400 CPU: 5513.23, 0.00318879/step Wall: 5513.23, 0.00318879/step, 2.86601 hours remaining, 234.824219 MB of memory in use. ENERGY: 1764400 3978.1819 20652.8245 14394.4946 248.7753 -203153.6673 2665.6616 0.0000 0.0000 51933.2157 -109280.5136 298.4609 -161213.7293 -108925.7001 299.9388 18.3863 46.9300 762296.6507 -13.6351 -13.7528 PRESSURE: 1764600 -318.129 -101.861 31.7605 -101.862 -121.6 -237.428 31.7616 -237.428 -237.117 GPRESSURE: 1764600 -301.861 -122.068 7.56943 -17.3662 -159.478 -190.985 144.418 -199.833 -132.469 PRESSAVG: 1764600 -15.9066 15.2226 20.0684 15.2226 -29.441 -21.9491 20.0684 -21.949 -10.4255 GPRESSAVG: 1764600 -15.1716 12.052 19.56 16.6431 -29.1918 -22.3948 23.2655 -21.6084 -11.5646 TIMING: 1764600 CPU: 5513.86, 0.00310796/step Wall: 5513.86, 0.00310796/step, 2.79319 hours remaining, 234.824219 MB of memory in use. ENERGY: 1764600 4064.7908 20636.0296 14480.9907 254.1273 -203273.2753 2563.2479 0.0000 0.0000 51928.8546 -109345.2344 298.4358 -161274.0890 -108990.1524 299.2463 -225.6156 -197.9358 762724.8029 -18.5910 -18.6427 PRESSURE: 1764800 281.936 -133.49 75.9721 -133.491 116.78 190.786 75.9714 190.788 -60.3395 GPRESSURE: 1764800 259.41 -60.0825 156.961 -294.793 163.9 142.996 -29.4177 118.68 1.07081 PRESSAVG: 1764800 61.8647 -6.5723 -43.249 -6.57231 -12.0357 -10.1111 -43.249 -10.1111 5.80605 GPRESSAVG: 1764800 60.7017 -4.95569 -42.5266 -7.95705 -12.2861 -10.1752 -44.6519 -12.2255 7.22588 TIMING: 1764800 CPU: 5514.48, 0.00310613/step Wall: 5514.48, 0.00310613/step, 2.79138 hours remaining, 234.824219 MB of memory in use. ENERGY: 1764800 4010.4768 20670.6106 14454.1452 252.0303 -203677.8586 2972.6632 0.0000 0.0000 51918.5686 -109399.3639 298.3767 -161317.9324 -109045.9380 299.3827 112.7924 141.4602 762528.0847 18.5450 18.5472 PRESSURE: 1765000 331.481 -99.6814 -265.451 -99.6812 -55.6717 71.6637 -265.452 71.6623 -123.987 GPRESSURE: 1765000 283.607 -36.6647 -331.477 8.31711 -63.0371 10.2788 -175.162 134.135 2.68847 PRESSAVG: 1765000 24.3214 -52.1455 -1.12325 -52.1456 -11.1119 62.5644 -1.12324 62.5644 -7.43999 GPRESSAVG: 1765000 24.7215 -50.0664 -0.173108 -51.1227 -10.9835 61.8741 -1.38771 64.4755 -7.83498 TIMING: 1765000 CPU: 5515.1, 0.00310755/step Wall: 5515.1, 0.00310755/step, 2.79248 hours remaining, 234.824219 MB of memory in use. ENERGY: 1765000 3924.5200 20629.1903 14479.1068 258.1552 -203684.5734 2894.9927 0.0000 0.0000 51910.4151 -109588.1933 298.3299 -161498.6084 -109232.0591 299.1352 50.6074 74.4194 761715.1508 1.9232 1.9677 PRESSURE: 1765200 -137.252 85.5125 8.48696 85.5119 118.158 -154.559 8.48649 -154.559 -88.8788 GPRESSURE: 1765200 -156.385 113.449 20.5697 27.7656 180.876 -96.0808 -154.562 -206.876 -65.5941 PRESSAVG: 1765200 -0.47935 -6.78341 -1.26536 -6.78341 -30.911 21.4956 -1.26534 21.4956 -3.0604 GPRESSAVG: 1765200 -1.3084 -7.4749 -2.55634 -7.52665 -30.9445 22.5075 -2.10666 21.6149 -2.28955 TIMING: 1765200 CPU: 5515.72, 0.00311086/step Wall: 5515.72, 0.00311086/step, 2.79528 hours remaining, 234.824219 MB of memory in use. ENERGY: 1765200 3957.0512 20584.3535 14490.5151 257.0237 -203722.7308 2802.3384 0.0000 0.0000 52070.7300 -109560.7189 299.2512 -161631.4489 -109203.5922 298.9301 -35.9909 -13.7009 762818.6664 -11.4836 -11.5141 PRESSURE: 1765400 -299.77 -34.8745 -313.723 -34.8743 107.92 161.261 -313.723 161.262 283.969 GPRESSURE: 1765400 -214.766 -48.1726 -275.663 -6.5192 87.5267 200.2 -139.613 144.226 292.234 PRESSAVG: 1765400 -21.1236 21.7243 -20.6247 21.7244 -1.10906 14.2077 -20.6247 14.2076 6.564 GPRESSAVG: 1765400 -20.0666 21.6589 -20.0846 21.7298 -1.4306 15.4334 -19.7118 13.9741 5.88649 TIMING: 1765400 CPU: 5516.34, 0.0031167/step Wall: 5516.34, 0.0031167/step, 2.80036 hours remaining, 234.824219 MB of memory in use. ENERGY: 1765400 3950.4879 20599.9113 14485.7525 257.0572 -203780.6096 2878.4488 0.0000 0.0000 52259.9499 -109349.0020 300.3387 -161608.9519 -108982.0414 299.3020 30.7065 54.9981 762409.7759 -5.2229 -5.2036 PRESSURE: 1765600 -33.6516 28.03 -129.434 28.0309 12.3642 -127.622 -129.434 -127.623 -534.138 GPRESSURE: 1765600 18.7172 41.1794 -94.1529 161.987 -31.0965 -88.6926 18.0074 -183.257 -467.402 PRESSAVG: 1765600 71.3702 20.0078 19.6538 20.0079 -17.6033 29.5055 19.6539 29.5055 4.5817 GPRESSAVG: 1765600 71.7491 18.3992 20.3361 20.9934 -16.8762 29.582 21.0246 28.9201 4.05006 TIMING: 1765600 CPU: 5516.97, 0.00310961/step Wall: 5516.97, 0.00310961/step, 2.79381 hours remaining, 234.824219 MB of memory in use. ENERGY: 1765600 4042.7165 20510.5487 14439.6967 257.9724 -203627.8769 2885.4838 0.0000 0.0000 52217.3208 -109274.1379 300.0937 -161491.4588 -108910.0721 300.0763 -185.1417 -159.9271 762752.4333 19.4496 19.6410 PRESSURE: 1765800 154.693 -40.2286 106.526 -40.2291 -10.2402 -210.741 106.525 -210.739 13.8389 GPRESSURE: 1765800 115.036 -184.595 99.7093 27.2308 47.6522 -294.035 153.408 -146.248 67.7219 PRESSAVG: 1765800 0.446198 67.8984 -15.6449 67.8984 -15.9805 -12.1201 -15.6449 -12.12 -0.812766 GPRESSAVG: 1765800 -1.26482 66.5187 -16.7122 67.9519 -16.3415 -14.3966 -15.0445 -11.0391 1.10806 TIMING: 1765800 CPU: 5517.59, 0.00312199/step Wall: 5517.59, 0.00312199/step, 2.80476 hours remaining, 234.824219 MB of memory in use. ENERGY: 1765800 4049.6193 20538.1169 14458.6554 243.2693 -203829.7886 2977.1060 0.0000 0.0000 52089.9814 -109473.0403 299.3618 -161563.0217 -109105.7510 299.6586 52.7639 76.8032 763403.3920 -5.4490 -5.4994 PRESSURE: 1766000 37.6836 -86.2387 304.824 -86.2386 27.2217 -218.547 304.824 -218.547 -211.656 GPRESSURE: 1766000 -17.4669 -21.2966 259.534 -50.9444 40.6097 -267.293 219.192 -182.587 -79.5061 PRESSAVG: 1766000 -17.8646 -28.6404 14.491 -28.6404 -18.1628 -21.2253 14.491 -21.2253 5.35576 GPRESSAVG: 1766000 -17.4325 -27.7178 15.6434 -29.9354 -18.8231 -21.3699 11.2662 -21.7513 5.39305 TIMING: 1766000 CPU: 5518.22, 0.00312552/step Wall: 5518.22, 0.00312552/step, 2.80776 hours remaining, 234.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1766000 4012.2400 20466.3728 14398.9492 254.7746 -203723.5363 2750.4120 0.0000 0.0000 52134.6948 -109706.0928 299.6188 -161840.7876 -109339.2738 299.4182 -48.9169 -18.7878 761335.4299 -10.2239 -10.2875 PRESSURE: 1766200 290.274 19.9984 -140.033 19.999 87.9478 -116.446 -140.034 -116.444 167.507 GPRESSURE: 1766200 373.967 86.2351 -152.681 83.2144 64.6302 -92.9483 -36.8294 -93.6035 177.035 PRESSAVG: 1766200 -3.5128 27.3058 -13.1634 27.3058 -5.07262 57.1437 -13.1635 57.1436 23.3265 GPRESSAVG: 1766200 -3.63616 28.4576 -14.5111 29.81 -5.05157 58.9667 -12.0626 57.8288 22.7133 TIMING: 1766200 CPU: 5518.84, 0.00310445/step Wall: 5518.84, 0.00310445/step, 2.78866 hours remaining, 234.824219 MB of memory in use. ENERGY: 1766200 3912.8440 20670.1108 14444.2778 231.0981 -204006.8600 2825.7205 0.0000 0.0000 52130.6097 -109792.1990 299.5953 -161922.8088 -109430.8109 298.5562 181.9096 205.2110 761689.7392 4.9137 4.6752 PRESSURE: 1766400 47.2521 -56.5617 -72.1976 -56.5617 165.2 -82.1505 -72.1986 -82.1513 546.501 GPRESSURE: 1766400 125.501 96.3773 -81.1833 -5.3669 171.446 -145.205 -136.547 -42.1624 542.352 PRESSAVG: 1766400 -17.7443 25.2755 30.7576 25.2755 30.2433 39.2426 30.7576 39.2426 -5.27535 GPRESSAVG: 1766400 -16.6473 23.9817 31.8328 23.3982 30.5197 36.5504 31.5189 39.8632 -7.2738 TIMING: 1766400 CPU: 5519.46, 0.0031082/step Wall: 5519.46, 0.0031082/step, 2.79186 hours remaining, 234.824219 MB of memory in use. ENERGY: 1766400 3935.3506 20411.2355 14464.7904 259.2632 -203966.8696 3176.2253 0.0000 0.0000 52101.7099 -109618.2948 299.4292 -161720.0047 -109246.7864 299.1036 252.9843 279.7662 761581.7439 2.4079 2.1995 PRESSURE: 1766600 -204.229 -89.8182 35.5209 -89.8177 -14.377 206.585 35.5211 206.585 93.3204 GPRESSURE: 1766600 -168.047 -134.928 60.9796 -86.452 41.8105 122.898 0.922317 233.233 66.24 PRESSAVG: 1766600 -27.5579 48.5766 -13.0109 48.5765 34.8011 30.8363 -13.0109 30.8364 -4.02034 GPRESSAVG: 1766600 -27.8899 46.7019 -14.4812 50.1119 34.4303 33.5906 -12.0924 30.6238 -3.5996 TIMING: 1766600 CPU: 5520.08, 0.00311424/step Wall: 5520.08, 0.00311424/step, 2.79711 hours remaining, 234.824219 MB of memory in use. ENERGY: 1766600 4010.0424 20652.1393 14370.5810 247.7843 -203235.9731 2561.1577 0.0000 0.0000 51934.1107 -109460.1576 298.4660 -161394.2683 -109103.7539 298.6641 -41.7617 -19.9990 762168.5375 1.0743 0.9803 PRESSURE: 1766800 2.36711 8.2488 -93.5697 8.24791 255.377 -90.9578 -93.5695 -90.958 -252.564 GPRESSURE: 1766800 41.5017 -11.407 8.11926 -28.9679 244.013 -134.816 -170.971 -121.229 -202.402 PRESSAVG: 1766800 -41.2562 -16.3574 2.54775 -16.3574 40.6014 -36.1259 2.54774 -36.1259 16.43 GPRESSAVG: 1766800 -42.3989 -13.9881 3.88534 -18.2729 39.6099 -38.1153 2.08471 -36.479 18.6104 TIMING: 1766800 CPU: 5520.7, 0.00310706/step Wall: 5520.7, 0.00310706/step, 2.79049 hours remaining, 234.824219 MB of memory in use. ENERGY: 1766800 3972.7935 20655.6662 14441.8775 243.5211 -203374.3037 2692.9185 0.0000 0.0000 51897.5995 -109469.9275 298.2562 -161367.5270 -109112.7619 299.3687 1.7269 27.7044 760757.2108 5.2584 5.2738 PRESSURE: 1767000 -12.4765 57.9067 19.0402 57.9075 -382.214 -27.3688 19.0404 -27.3702 98.5512 GPRESSURE: 1767000 -3.53905 -43.4599 33.2434 20.3371 -306.162 0.257407 140.561 -10.0355 70.6687 PRESSAVG: 1767000 27.923 9.10102 29.2354 9.10104 10.8508 42.7575 29.2354 42.7575 -0.0122343 GPRESSAVG: 1767000 28.9145 8.81083 29.0148 9.24364 11.1283 43.4339 28.2869 40.6987 -1.33792 TIMING: 1767000 CPU: 5521.32, 0.00311145/step Wall: 5521.32, 0.00311145/step, 2.79426 hours remaining, 234.824219 MB of memory in use. ENERGY: 1767000 4039.2704 20325.7266 14461.9394 237.4983 -203473.4313 2612.0828 0.0000 0.0000 52422.8318 -109374.0821 301.2747 -161796.9139 -109013.1909 298.9810 -98.7130 -79.6774 761695.4805 12.9205 12.9016 PRESSURE: 1767200 -200.402 122.884 -43.7653 122.881 -98.4254 -219.314 -43.7651 -219.314 -454.888 GPRESSURE: 1767200 -138.366 49.4352 79.8852 237.32 -55.19 -194.448 34.8596 -179.998 -474.799 PRESSAVG: 1767200 -21.1628 13.8947 37.854 13.8947 -22.0974 -9.66653 37.8539 -9.66652 20.1468 GPRESSAVG: 1767200 -21.4945 11.9595 37.6402 14.5759 -20.5889 -7.76052 39.1259 -7.45305 19.2955 TIMING: 1767200 CPU: 5521.95, 0.00313114/step Wall: 5521.95, 0.00313114/step, 2.81177 hours remaining, 234.824219 MB of memory in use. ENERGY: 1767200 4028.6951 20401.9455 14409.9709 244.9218 -203376.8266 2748.2332 0.0000 0.0000 52298.6590 -109244.4012 300.5611 -161543.0601 -108866.3615 299.2580 -251.2384 -222.7849 761168.8747 -7.7045 -7.5960 PRESSURE: 1767400 122.446 -157.15 -240.307 -157.149 284.189 -54.7054 -240.306 -54.7054 52.5442 GPRESSURE: 1767400 156.233 -133.384 -267.033 -115.338 283.569 -107.458 -140.268 -61.5448 111.508 PRESSAVG: 1767400 6.04428 -38.1334 -9.62925 -38.1334 -5.77524 -34.3698 -9.62926 -34.3698 14.2116 GPRESSAVG: 1767400 5.64105 -38.0478 -10.5828 -38.9095 -6.52835 -36.1565 -9.64013 -35.4 15.7912 TIMING: 1767400 CPU: 5522.57, 0.00310549/step Wall: 5522.57, 0.00310549/step, 2.78856 hours remaining, 234.824219 MB of memory in use. ENERGY: 1767400 4009.2347 20556.8545 14414.1052 258.1563 -203223.1032 2596.3123 0.0000 0.0000 52122.7526 -109265.6875 299.5502 -161388.4401 -108916.3176 299.4630 153.0597 183.7699 762148.6152 4.8269 4.9680 PRESSURE: 1767600 -121.052 181.585 -123.279 181.584 -120.179 14.6377 -123.279 14.6374 176.623 GPRESSURE: 1767600 42.0714 174.157 -105.706 199.544 -164.172 8.12343 -20.057 -88.7006 136.017 PRESSAVG: 1767600 14.595 17.9882 -19.3474 17.9882 -4.16727 20.5461 -19.3473 20.5462 -15.8783 GPRESSAVG: 1767600 15.5744 19.3737 -17.569 20.5753 -4.35775 21.7779 -19.4798 20.3522 -17.2698 TIMING: 1767600 CPU: 5523.19, 0.00310833/step Wall: 5523.19, 0.00310833/step, 2.79093 hours remaining, 234.824219 MB of memory in use. ENERGY: 1767600 4014.0810 20596.8639 14395.3764 243.5140 -203533.6346 2843.2451 0.0000 0.0000 52056.4932 -109384.0611 299.1694 -161440.5543 -109021.3037 299.7672 -21.5357 4.6390 760373.4934 -1.8169 -2.0177 PRESSURE: 1767800 -73.3109 -52.1845 -215.655 -52.1844 -153.985 150.947 -215.654 150.948 285.502 GPRESSURE: 1767800 18.0884 -148.978 -261.923 -64.9455 -155.933 100.607 -187.563 151.538 287.283 PRESSAVG: 1767800 47.4314 -6.86081 -51.4581 -6.86083 -34.2312 7.4446 -51.4581 7.4446 -8.96976 GPRESSAVG: 1767800 47.1325 -5.39791 -52.6288 -10.0825 -34.3473 6.84389 -51.5851 6.51576 -8.24862 TIMING: 1767800 CPU: 5523.82, 0.00311247/step Wall: 5523.82, 0.00311247/step, 2.79448 hours remaining, 234.824219 MB of memory in use. ENERGY: 1767800 3958.6576 20496.3728 14393.7457 250.2181 -203757.0439 3030.7694 0.0000 0.0000 52032.5123 -109594.7681 299.0316 -161627.2804 -109230.5479 299.1329 19.4020 49.8128 760050.2797 1.4102 1.5122 PRESSURE: 1768000 -15.425 -74.9769 -154.797 -74.9758 -207.165 -75.6738 -154.796 -75.6736 -114.73 GPRESSURE: 1768000 -80.8926 -74.832 -90.3282 -87.3681 -115.739 -45.0024 -111.249 53.6372 -75.1444 PRESSAVG: 1768000 21.8722 34.3431 -4.71322 34.3431 -5.3709 -14.1668 -4.71318 -14.1668 -0.404917 GPRESSAVG: 1768000 20.6421 34.0992 -3.82776 36.2276 -4.34206 -14.7673 -5.36724 -12.2298 0.0381937 TIMING: 1768000 CPU: 5524.44, 0.00311231/step Wall: 5524.44, 0.00311231/step, 2.79417 hours remaining, 234.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1768000 3981.7295 20508.8494 14456.3772 253.9915 -203098.8463 2549.2431 0.0000 0.0000 51677.5085 -109671.1472 296.9914 -161348.6556 -109311.8986 298.2615 -112.4398 -90.5919 762895.9152 5.3655 5.4461 PRESSURE: 1768200 -17.4991 55.524 -132.278 55.5242 -174.943 12.5306 -132.278 12.5306 -135.461 GPRESSURE: 1768200 -40.3541 43.5232 -122.826 -7.83663 -134.209 48.6654 -210.071 -106.214 -73.4886 PRESSAVG: 1768200 2.56798 3.63044 -14.0601 3.63041 24.85 18.0194 -14.0601 18.0194 21.3408 GPRESSAVG: 1768200 4.347 2.63042 -14.4069 3.8879 22.8792 18.9353 -13.8489 16.9771 21.1884 TIMING: 1768200 CPU: 5525.06, 0.00312331/step Wall: 5525.06, 0.00312331/step, 2.80387 hours remaining, 234.824219 MB of memory in use. ENERGY: 1768200 4022.1867 20543.6652 14450.2331 238.1437 -203504.6974 2730.5104 0.0000 0.0000 52049.4864 -109470.4718 299.1291 -161519.9582 -109104.0359 298.5918 -109.3011 -82.6838 763059.3271 16.2529 16.1382 LDB: ============= START OF LOAD BALANCING ============== 5537.54 LDB: ============== END OF LOAD BALANCING =============== 5537.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5537.54 LDB: ============= START OF LOAD BALANCING ============== 5537.85 LDB: Largest compute 6985 load 0.028730 is 14.7% of average load 0.195009 LDB: Average compute 0.004410 is 2.3% of average load 0.195009 LDB: TIME 5537.86 LOAD: AVG 0.195009 MAX 0.213713 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.023 MB LDB: TIME 5537.86 LOAD: AVG 0.195009 MAX 0.213713 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.09 MB LDB: TIME 5537.86 LOAD: AVG 0.195009 MAX 0.213713 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.09 MB LDB: ============== END OF LOAD BALANCING =============== 5537.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5537.86 PRESSURE: 1768400 251.058 14.6481 221.404 14.6477 -142.678 67.9565 221.404 67.9561 -53.3758 GPRESSURE: 1768400 298.809 70.6736 162.476 110.184 -79.8405 70.4198 125.623 63.1017 -69.5824 PRESSAVG: 1768400 29.3081 19.9205 17.8331 19.9205 -39.4146 -19.7471 17.8331 -19.747 -3.92401 GPRESSAVG: 1768400 29.367 21.21 16.4537 17.3804 -38.2712 -18.2973 15.7706 -19.1755 -4.30432 TIMING: 1768400 CPU: 5525.7, 0.00317175/step Wall: 5525.7, 0.00317175/step, 2.84717 hours remaining, 235.082031 MB of memory in use. ENERGY: 1768400 3989.5845 20529.3928 14446.8635 242.4078 -203605.3076 2707.9909 0.0000 0.0000 52091.7303 -109597.3376 299.3719 -161689.0679 -109244.2383 298.9359 18.3346 49.7954 760181.3721 -4.6769 -4.4029 PRESSURE: 1768600 100.723 327.827 -196.574 327.827 -202.52 -22.5943 -196.574 -22.5932 -253.276 GPRESSURE: 1768600 169.955 192.378 -212.03 338.204 -208.536 -20.0715 -126.066 -141.661 -219.857 PRESSAVG: 1768600 23.2329 12.0278 4.26528 12.0277 4.51606 16.3941 4.26533 16.3941 14.1839 GPRESSAVG: 1768600 23.6596 11.2209 5.95235 13.2375 2.9862 14.5412 5.04591 16.9052 14.9551 TIMING: 1768600 CPU: 5526.32, 0.00312595/step Wall: 5526.32, 0.00312595/step, 2.80589 hours remaining, 235.082031 MB of memory in use. ENERGY: 1768600 3984.0899 20359.7021 14412.7946 225.8573 -203250.2732 2558.7884 0.0000 0.0000 52192.6024 -109516.4386 299.9516 -161709.0410 -109146.1041 299.0288 -118.3574 -86.1461 762067.0349 13.9776 13.8670 PRESSURE: 1768800 408.394 -58.7536 -20.8813 -58.7532 197.305 -47.3192 -20.8816 -47.3185 156.503 GPRESSURE: 1768800 420.91 -51.5698 -31.9618 -89.4856 215.38 -58.8322 -25.6179 86.1131 237.659 PRESSAVG: 1768800 7.87603 0.691829 36.081 0.691866 30.9801 18.4153 36.081 18.4154 -17.6484 GPRESSAVG: 1768800 6.22778 0.291351 35.3209 1.18027 33.0959 18.3919 36.027 18.9105 -17.9779 TIMING: 1768800 CPU: 5526.95, 0.00311964/step Wall: 5526.95, 0.00311964/step, 2.80005 hours remaining, 235.082031 MB of memory in use. ENERGY: 1768800 3989.2749 20503.0388 14420.4325 243.7944 -203495.4091 2782.6533 0.0000 0.0000 52062.8263 -109493.3889 299.2058 -161556.2152 -109135.0403 299.0997 254.0673 291.3165 759624.7759 7.0692 7.1153 PRESSURE: 1769000 -94.5844 20.8147 11.0474 20.815 -69.5319 20.1647 11.0471 20.1643 -27.6155 GPRESSURE: 1769000 -10.5801 2.62816 25.9992 -3.681 -24.9338 13.8093 -17.1217 -38.4442 -78.5558 PRESSAVG: 1769000 10.4664 -21.8123 25.5722 -21.8123 -5.76517 25.7994 25.5723 25.7994 23.5828 GPRESSAVG: 1769000 11.318 -22.5558 27.2525 -21.5034 -5.72809 27.0271 26.6733 25.8215 22.3947 TIMING: 1769000 CPU: 5527.57, 0.00309393/step Wall: 5527.57, 0.00309393/step, 2.7768 hours remaining, 235.082031 MB of memory in use. ENERGY: 1769000 3952.6793 20395.1630 14483.9157 248.4922 -203557.9045 3090.1632 0.0000 0.0000 51904.4331 -109483.0581 298.2955 -161387.4912 -109109.1947 299.1730 -63.9106 -38.0232 762591.5692 9.4280 9.3282 PRESSURE: 1769200 -142.53 52.835 -208.598 52.8353 -167.269 116.844 -208.597 116.844 -283.614 GPRESSURE: 1769200 -229.652 83.9535 -208.631 10.8241 4.39602 58.7929 -105.89 130.964 -291.933 PRESSAVG: 1769200 -33.1782 -8.66201 14.5588 -8.66199 21.283 30.1876 14.5588 30.1877 -5.51161 GPRESSAVG: 1769200 -34.7091 -8.25189 11.8127 -9.52741 21.656 30.964 17.5843 29.6824 -4.79086 TIMING: 1769200 CPU: 5528.19, 0.0031/step Wall: 5528.19, 0.0031/step, 2.78208 hours remaining, 235.082031 MB of memory in use. ENERGY: 1769200 4042.2518 20573.4820 14484.1728 255.9246 -203595.1975 2722.0535 0.0000 0.0000 51963.1317 -109554.1810 298.6328 -161517.3128 -109200.1755 298.3059 -197.8043 -172.3965 763600.3505 -5.8023 -5.9480 PRESSURE: 1769400 145.623 -45.0341 15.9049 -45.0346 103.58 308.986 15.9045 308.987 8.79376 GPRESSURE: 1769400 149.409 -127.111 -20.0664 -28.2711 101.341 244.552 95.9309 297.518 91.1539 PRESSAVG: 1769400 -40.8631 -30.678 5.74146 -30.6779 25.5074 84.3837 5.74142 84.3838 3.01083 GPRESSAVG: 1769400 -40.4046 -30.7491 7.38716 -29.5005 24.1305 83.3493 5.39859 83.2646 3.8816 TIMING: 1769400 CPU: 5528.81, 0.0031188/step Wall: 5528.81, 0.0031188/step, 2.79878 hours remaining, 235.082031 MB of memory in use. ENERGY: 1769400 3936.9234 20505.7878 14457.4617 241.8696 -203883.6107 3055.0582 0.0000 0.0000 52154.3144 -109532.1956 299.7316 -161686.5100 -109153.0152 298.3710 85.9990 113.9681 762131.7396 -4.1150 -4.1308 PRESSURE: 1769600 -75.1008 -149.892 204.392 -149.892 -137.804 -32.5955 204.391 -32.5961 -270.324 GPRESSURE: 1769600 -62.9472 -169.487 221.242 -138.844 -113.384 113.337 133.628 -144.132 -228.212 PRESSAVG: 1769600 17.8736 -23.7258 34.8571 -23.7258 22.0712 50.5073 34.8571 50.5073 5.88395 GPRESSAVG: 1769600 19.1372 -21.8033 33.94 -25.0373 22.5055 50.4533 33.8117 51.9999 4.54575 TIMING: 1769600 CPU: 5529.43, 0.00310769/step Wall: 5529.43, 0.00310769/step, 2.78863 hours remaining, 235.082031 MB of memory in use. ENERGY: 1769600 3981.4375 20505.0583 14452.0643 228.3825 -203632.6669 2910.9155 0.0000 0.0000 52021.1195 -109533.6894 298.9661 -161554.8089 -109166.8627 298.8137 -161.0765 -134.8477 764248.9882 15.2763 15.3962 PRESSURE: 1769800 -389.092 -145.361 191.943 -145.362 117.924 -24.4161 191.943 -24.4161 -254.158 GPRESSURE: 1769800 -398.134 -142.062 176.396 -140.393 251.582 -26.019 250.308 -48.5897 -303.055 PRESSAVG: 1769800 -24.4485 -81.7883 -39.7171 -81.7883 -16.2468 24.6182 -39.7171 24.6182 -23.4018 GPRESSAVG: 1769800 -25.4289 -83.7721 -39.6288 -82.0247 -16.7052 25.1813 -39.8966 25.3881 -22.31 TIMING: 1769800 CPU: 5530.05, 0.00309845/step Wall: 5530.05, 0.00309845/step, 2.78017 hours remaining, 235.082031 MB of memory in use. ENERGY: 1769800 4009.6526 20536.2141 14433.5935 238.6681 -203701.8434 2947.5798 0.0000 0.0000 52024.0832 -109512.0521 298.9831 -161536.1353 -109151.4471 299.0173 -175.1084 -149.8693 763531.3474 -21.3657 -21.4813 PRESSURE: 1770000 -119.78 -29.867 72.4126 -29.8655 -271.397 -124.786 72.4126 -124.787 -304.042 GPRESSURE: 1770000 -112.482 41.4732 102.523 4.69034 -188.889 -91.5143 74.1123 -110.694 -292.279 PRESSAVG: 1770000 -7.4487 -29.1874 8.7757 -29.1874 41.3749 19.6489 8.77567 19.6489 7.84527 GPRESSAVG: 1770000 -6.89589 -27.9472 9.01229 -28.5069 41.0163 18.6891 9.54939 19.3102 7.26096 TIMING: 1770000 CPU: 5530.67, 0.003094/step Wall: 5530.67, 0.003094/step, 2.77601 hours remaining, 235.082031 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: 1770000 3987.1810 20693.8152 14467.5648 252.3819 -203413.4385 2715.5291 0.0000 0.0000 51667.3487 -109629.6179 296.9330 -161296.9666 -109270.3019 298.4435 -231.7398 -197.8831 763953.6192 13.9238 13.7938 PRESSURE: 1770200 -221.439 -1.84981 112.115 -1.85032 310.063 102.786 112.116 102.786 375.106 GPRESSURE: 1770200 -125.963 -102.012 118.142 -42.8825 318.302 84.3955 119.771 123.062 364.669 PRESSAVG: 1770200 -30.6429 -6.29856 33.0394 -6.29859 33.9487 -19.0894 33.0394 -19.0894 -2.32041 GPRESSAVG: 1770200 -31.7003 -6.64907 35.0498 -7.23268 35.0903 -18.3639 32.1081 -18.5015 -1.72214 TIMING: 1770200 CPU: 5531.29, 0.00310164/step Wall: 5531.29, 0.00310164/step, 2.78269 hours remaining, 235.082031 MB of memory in use. ENERGY: 1770200 3946.8029 20461.3665 14453.3867 250.2899 -203689.3271 2904.0389 0.0000 0.0000 52055.6912 -109617.7510 299.1648 -161673.4422 -109252.9180 298.5112 154.5765 185.6695 762706.5292 0.3285 0.5560 PRESSURE: 1770400 19.4766 114.198 -57.1898 114.198 -197.005 -98.0981 -57.1901 -98.0995 -482.034 GPRESSURE: 1770400 12.5942 113.368 66.1542 168.178 -173.76 -79.3552 -21.1543 -126.05 -425.217 PRESSAVG: 1770400 -14.1951 -38.4458 19.2919 -38.4458 18.7114 19.0415 19.2919 19.0416 20.2577 GPRESSAVG: 1770400 -13.4624 -40.5615 16.8053 -36.8398 17.3207 19.4836 18.9942 19.2693 20.4481 TIMING: 1770400 CPU: 5531.91, 0.00310736/step Wall: 5531.91, 0.00310736/step, 2.78765 hours remaining, 235.082031 MB of memory in use. ENERGY: 1770400 4024.9811 20628.2788 14404.4208 242.2507 -203374.5241 2632.5695 0.0000 0.0000 51856.5557 -109585.4676 298.0203 -161442.0233 -109228.6182 298.8362 -219.8541 -195.4609 762801.1963 8.2580 8.1021 PRESSURE: 1770600 0.713459 -57.4101 -13.4606 -57.4112 -222.017 74.5944 -13.4612 74.5944 271.79 GPRESSURE: 1770600 -36.226 -85.5576 23.8688 -30.2367 -195.861 79.0999 -67.9106 155.376 365.144 PRESSAVG: 1770600 -4.95892 -74.8675 47.8262 -74.8675 -9.00258 28.8901 47.8262 28.8901 5.22126 GPRESSAVG: 1770600 -4.83826 -71.9164 48.9544 -76.0789 -8.35283 26.469 49.9743 30.2069 4.32904 TIMING: 1770600 CPU: 5532.53, 0.00309091/step Wall: 5532.53, 0.00309091/step, 2.77272 hours remaining, 235.082031 MB of memory in use. ENERGY: 1770600 4053.8838 20520.2850 14467.7973 241.0837 -203419.3896 2535.7124 0.0000 0.0000 51969.9271 -109630.7003 298.6719 -161600.6274 -109269.0451 298.5931 16.8289 44.3521 762890.1296 -2.9134 -2.9540 PRESSURE: 1770800 22.3282 -10.5025 147.684 -10.5038 -17.7406 16.5172 147.683 16.5184 -294.118 GPRESSURE: 1770800 45.4659 -59.9034 206.078 3.27748 -4.48421 40.7885 122.932 0.0199547 -236.389 PRESSAVG: 1770800 42.5147 -39.4637 63.2561 -39.4636 -4.96169 53.1906 63.2561 53.1906 16.0388 GPRESSAVG: 1770800 43.1651 -41.3944 62.6465 -40.2965 -5.5401 53.4664 61.1136 52.8701 16.5657 TIMING: 1770800 CPU: 5533.15, 0.00310214/step Wall: 5533.15, 0.00310214/step, 2.78262 hours remaining, 235.082031 MB of memory in use. ENERGY: 1770800 3990.9452 20555.8039 14340.9950 244.2025 -204033.6529 3120.3409 0.0000 0.0000 51936.0049 -109845.3607 298.4769 -161781.3655 -109474.5433 298.1758 -96.5102 -65.1359 762445.3330 17.8639 18.0636 PRESSURE: 1771000 -350.194 -155.323 10.008 -155.324 90.0026 -79.824 10.0082 -79.8246 -93.147 GPRESSURE: 1771000 -301.124 -201.199 -45.4866 -263.623 101.041 -29.4873 95.5435 -60.6189 -68.9972 PRESSAVG: 1771000 14.0015 -55.1923 88.4063 -55.1923 -20.5706 41.1097 88.4063 41.1096 -6.80858 GPRESSAVG: 1771000 13.0864 -56.401 88.6114 -54.9196 -19.3478 43.0447 89.8456 37.9228 -7.32134 TIMING: 1771000 CPU: 5533.77, 0.00309606/step Wall: 5533.77, 0.00309606/step, 2.77699 hours remaining, 235.082031 MB of memory in use. ENERGY: 1771000 3973.1429 20494.8220 14370.9014 250.1921 -203219.1495 2550.6398 0.0000 0.0000 51814.8071 -109764.6441 297.7804 -161579.4512 -109393.9298 298.1028 -117.7793 -89.6932 762844.9490 -4.4592 -4.5276 PRESSURE: 1771200 -288.979 95.9407 266.938 95.941 -236.724 103.524 266.938 103.522 -97.7283 GPRESSURE: 1771200 -255.825 67.6672 152.965 39.5924 -144.327 96.3185 160.991 71.4276 -143.037 PRESSAVG: 1771200 -0.253096 -118.917 79.3936 -118.917 11.3955 53.2296 79.3937 53.2297 20.2727 GPRESSAVG: 1771200 -0.511323 -117.445 80.5573 -118.197 10.7107 50.9054 78.9409 55.7429 21.1956 TIMING: 1771200 CPU: 5534.39, 0.00311196/step Wall: 5534.39, 0.00311196/step, 2.79108 hours remaining, 235.082031 MB of memory in use. ENERGY: 1771200 4078.4653 20702.7275 14374.5054 248.5697 -203819.0203 2960.7502 0.0000 0.0000 51876.1255 -109577.8767 298.1328 -161454.0022 -109214.8780 298.2767 -207.8103 -181.0627 763006.1186 10.4717 10.4650 PRESSURE: 1771400 -76.0576 -161.264 90.6352 -161.264 108.891 60.2159 90.6357 60.2162 -39.8058 GPRESSURE: 1771400 23.4236 -85.2235 93.5033 -87.6856 113.388 48.8355 55.889 -20.6792 -42.8242 PRESSAVG: 1771400 -4.17575 -34.6067 50.9188 -34.6068 39.7214 31.0688 50.9188 31.0688 16.4076 GPRESSAVG: 1771400 -1.97316 -34.1572 48.6931 -35.9828 38.4191 31.5233 50.3731 30.218 15.5127 TIMING: 1771400 CPU: 5535.01, 0.00310878/step Wall: 5535.01, 0.00310878/step, 2.78806 hours remaining, 235.082031 MB of memory in use. ENERGY: 1771400 4017.3142 20570.6685 14460.9398 278.5079 -203750.4070 2794.3626 0.0000 0.0000 52049.9677 -109578.6464 299.1319 -161628.6141 -109205.8633 298.9141 -2.3243 31.3291 762820.5662 17.3178 17.3196 PRESSURE: 1771600 -211.259 -51.5462 -30.3277 -51.5461 -106.522 22.7185 -30.3277 22.7181 46.1288 GPRESSURE: 1771600 -230.844 -27.6818 -0.0555559 -72.7339 19.2214 8.48507 19.8512 27.0805 29.6448 PRESSAVG: 1771600 -24.7824 39.5622 21.3595 39.5622 63.6227 -16.8607 21.3595 -16.8607 5.90054 GPRESSAVG: 1771600 -25.8797 40.2113 23.3834 39.2549 64.6116 -15.3186 21.7024 -17.1316 6.54294 TIMING: 1771600 CPU: 5535.64, 0.00313324/step Wall: 5535.64, 0.00313324/step, 2.80982 hours remaining, 235.082031 MB of memory in use. ENERGY: 1771600 3991.2442 20562.7689 14541.6194 257.5404 -203899.9860 2709.5205 0.0000 0.0000 52286.6139 -109550.6787 300.4919 -161837.2926 -109182.6504 298.7262 -90.5507 -60.6592 762236.0199 14.9136 15.0916 PRESSURE: 1771800 150.463 -6.94683 13.7382 -6.94631 -42.5084 -6.53958 13.7385 -6.5403 -52.1644 GPRESSURE: 1771800 67.0238 -4.4585 -30.7495 42.2917 37.9801 -104.22 38.5987 88.078 44.0475 PRESSAVG: 1771800 -28.8065 10.2352 27.4648 10.2352 16.3487 -5.17231 27.4649 -5.17233 -19.1122 GPRESSAVG: 1771800 -29.19 9.41349 26.4624 9.69564 17.0143 -6.63005 29.1946 -5.40439 -19.7137 TIMING: 1771800 CPU: 5536.26, 0.00311062/step Wall: 5536.26, 0.00311062/step, 2.78936 hours remaining, 235.082031 MB of memory in use. ENERGY: 1771800 3940.0690 20585.7071 14467.7388 246.9395 -203803.3509 2883.2783 0.0000 0.0000 52060.4815 -109619.1367 299.1923 -161679.6182 -109255.1064 298.4776 18.5966 49.6838 764175.6403 -10.5233 -10.6298 PRESSURE: 1772000 -145.552 -26.3747 -35.8282 -26.3743 -279.32 -66.9922 -35.8281 -66.9924 281.047 GPRESSURE: 1772000 -173.549 49.2947 -35.3375 -11.5755 -134.632 -192.851 -77.8917 -42.1207 264.268 PRESSAVG: 1772000 -47.9734 -58.5883 9.69198 -58.5883 71.1141 -22.1477 9.69196 -22.1477 44.2271 GPRESSAVG: 1772000 -47.5017 -57.1376 9.91357 -57.1117 70.8916 -21.5815 8.17221 -21.1025 44.5107 TIMING: 1772000 CPU: 5536.88, 0.00310215/step Wall: 5536.88, 0.00310215/step, 2.78159 hours remaining, 235.082031 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: 1772000 3985.5757 20588.0280 14490.2373 253.5404 -203804.2937 3069.4537 0.0000 0.0000 51996.7374 -109420.7213 298.8260 -161417.4587 -109063.5448 298.7971 -47.9418 -14.6378 762231.9978 22.4560 22.6335 PRESSURE: 1772200 358.485 -143.716 -150.829 -143.717 153.826 -294.842 -150.829 -294.842 55.6312 GPRESSURE: 1772200 387.423 -88.1118 -189.854 -123.847 163.701 -282.629 -211.516 -328.198 89.3966 PRESSAVG: 1772200 -33.6807 7.05418 38.8512 7.0542 69.5838 7.0934 38.8512 7.09341 -24.7906 GPRESSAVG: 1772200 -34.5868 4.39524 37.4951 5.14496 69.3284 9.12553 39.564 5.50716 -23.6088 TIMING: 1772200 CPU: 5537.5, 0.00309942/step Wall: 5537.5, 0.00309942/step, 2.77898 hours remaining, 235.082031 MB of memory in use. ENERGY: 1772200 4038.2597 20651.7718 14470.7531 267.2457 -203739.3467 2969.4263 0.0000 0.0000 51836.9480 -109504.9421 297.9077 -161341.8901 -109134.0979 299.0499 189.3142 213.5069 762266.4139 3.7042 3.7109 LDB: ============= START OF LOAD BALANCING ============== 5549.98 LDB: ============== END OF LOAD BALANCING =============== 5549.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5549.98 LDB: ============= START OF LOAD BALANCING ============== 5550.29 LDB: Largest compute 6985 load 0.030175 is 15.5% of average load 0.195066 LDB: Average compute 0.004392 is 2.3% of average load 0.195066 LDB: TIME 5550.29 LOAD: AVG 0.195066 MAX 0.216859 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.793 MB LDB: TIME 5550.29 LOAD: AVG 0.195066 MAX 0.216859 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.793 MB LDB: TIME 5550.3 LOAD: AVG 0.195066 MAX 0.216859 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.793 MB LDB: ============== END OF LOAD BALANCING =============== 5550.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5550.3 PRESSURE: 1772400 -60.2539 -163.022 29.5647 -163.023 -269.088 15.4385 29.5645 15.4382 112.433 GPRESSURE: 1772400 -51.2786 -115.275 37.0296 -219.595 -207.823 -55.5575 175.961 36.0928 110.891 PRESSAVG: 1772400 9.56935 -3.66882 27.4859 -3.66891 -8.0003 22.7288 27.486 22.7288 30.1283 GPRESSAVG: 1772400 9.92707 -2.40406 29.6558 -2.62242 -6.47927 18.809 26.658 26.1604 28.087 TIMING: 1772400 CPU: 5538.14, 0.00317249/step Wall: 5538.14, 0.00317249/step, 2.84431 hours remaining, 234.753906 MB of memory in use. ENERGY: 1772400 4090.8216 20518.3522 14440.7873 253.4017 -203596.9722 2854.9482 0.0000 0.0000 51956.7337 -109481.9275 298.5961 -161438.6612 -109114.1981 298.4347 -72.3029 -49.4035 762401.5661 10.5658 10.5116 PRESSURE: 1772600 55.2462 250.538 1.21866 250.539 203.511 0.698683 1.21797 0.698809 -11.9567 GPRESSURE: 1772600 36.6225 139.186 40.8331 174.28 268.77 -39.8507 -35.092 -44.1964 21.3197 PRESSAVG: 1772600 15.3128 -12.1984 43.6068 -12.1983 -13.2922 18.4486 43.6068 18.4486 -25.9891 GPRESSAVG: 1772600 16.7052 -14.4034 43.9349 -13.0963 -14.3387 18.6307 42.5487 17.6991 -25.7144 TIMING: 1772600 CPU: 5538.76, 0.00309969/step Wall: 5538.76, 0.00309968/step, 2.77887 hours remaining, 234.957031 MB of memory in use. ENERGY: 1772600 4056.6332 20597.2390 14412.4547 255.9600 -203632.8143 3029.3769 0.0000 0.0000 51983.1590 -109297.9916 298.7479 -161281.1506 -108945.0444 299.1243 82.2669 108.9040 763548.1492 -7.9895 -7.7826 PRESSURE: 1772800 -322.582 -108.329 39.164 -108.329 128.063 143.317 39.1633 143.316 291.904 GPRESSURE: 1772800 -228.186 -73.7056 43.0352 -40.4648 112.269 80.5872 58.2571 85.7981 312.63 PRESSAVG: 1772800 -26.4669 13.7135 -41.4452 13.7135 10.1508 6.1122 -41.4453 6.11219 23.6651 GPRESSAVG: 1772800 -25.901 15.3557 -41.1598 12.4333 9.99284 7.01899 -40.276 5.17296 23.529 TIMING: 1772800 CPU: 5539.38, 0.00310073/step Wall: 5539.38, 0.00310073/step, 2.77964 hours remaining, 234.957031 MB of memory in use. ENERGY: 1772800 3998.5291 20302.9082 14475.5029 250.9154 -203633.5895 2923.1601 0.0000 0.0000 52258.2417 -109424.3322 300.3288 -161682.5738 -109070.1968 298.7719 32.4619 65.5711 763211.9216 2.4497 2.5403 PRESSURE: 1773000 198.763 147.953 72.449 147.953 -183.787 2.82178 72.449 2.82079 -165.596 GPRESSURE: 1773000 240.481 98.759 36.1031 164.04 -121.539 42.8386 144.519 -6.26444 -180.249 PRESSAVG: 1773000 2.63412 -40.4315 22.7636 -40.4315 3.63109 -19.1362 22.7636 -19.1362 -11.9726 GPRESSAVG: 1773000 1.52165 -41.4412 22.385 -38.0207 4.96441 -19.5445 23.2487 -18.811 -12.6793 TIMING: 1773000 CPU: 5540, 0.0031045/step Wall: 5540, 0.0031045/step, 2.78284 hours remaining, 234.957031 MB of memory in use. ENERGY: 1773000 4094.3307 20349.4566 14433.6686 234.2669 -203356.9389 2733.2980 0.0000 0.0000 52254.1633 -109257.7548 300.3054 -161511.9182 -108889.4492 299.3936 -50.2066 -20.4358 761847.0242 -1.9025 -2.0644 PRESSURE: 1773200 -368.99 -82.8249 -41.4461 -82.8244 58.8949 155.812 -41.4455 155.812 157.616 GPRESSURE: 1773200 -298.019 -259.9 -105.485 -130.234 66.057 160.559 23.8949 189.529 168.743 PRESSAVG: 1773200 21.8758 -16.6395 -54.7786 -16.6395 6.84735 34.2227 -54.7786 34.2227 14.6208 GPRESSAVG: 1773200 22.035 -17.8321 -53.8136 -18.1061 6.38608 35.7155 -57.363 31.9698 14.9043 TIMING: 1773200 CPU: 5540.62, 0.00311634/step Wall: 5540.62, 0.00311634/step, 2.79328 hours remaining, 234.957031 MB of memory in use. ENERGY: 1773200 4094.4341 20617.5139 14504.4563 229.0625 -203634.7210 3013.2808 0.0000 0.0000 52104.6899 -109071.2835 299.4464 -161175.9734 -108717.3583 299.8126 -50.8264 -21.0729 763251.2632 14.4480 14.4418 PRESSURE: 1773400 150.928 -68.7933 -97.6319 -68.7933 13.863 -47.3065 -97.6322 -47.3066 -155.975 GPRESSURE: 1773400 66.2784 85.0112 -78.2764 -64.4102 119 -50.8262 -109.612 -88.496 -108.516 PRESSAVG: 1773400 2.50969 -17.7867 -6.05872 -17.7867 9.61863 40.3359 -6.05875 40.3359 7.92979 GPRESSAVG: 1773400 1.79888 -14.7882 -7.93986 -18.059 9.99711 38.9161 -4.05038 42.145 7.23224 TIMING: 1773400 CPU: 5541.24, 0.0031085/step Wall: 5541.24, 0.0031085/step, 2.78608 hours remaining, 234.957031 MB of memory in use. ENERGY: 1773400 4008.7963 20449.9156 14474.0553 231.7969 -203555.7940 2877.6652 0.0000 0.0000 52260.5192 -109253.0455 300.3419 -161513.5647 -108884.5443 299.5890 2.9388 25.5875 763041.3998 6.6860 6.3427 PRESSURE: 1773600 -339.848 -7.84597 89.8463 -7.84604 -93.4565 -146.083 89.8464 -146.084 -330.912 GPRESSURE: 1773600 -249.87 -22.4556 84.0892 -67.8547 -107.884 -31.0018 218.361 -190.876 -304.486 PRESSAVG: 1773600 27.1808 44.8374 -24.7911 44.8374 -56.2946 8.85877 -24.7911 8.85874 8.00747 GPRESSAVG: 1773600 26.9751 42.7445 -23.786 47.0534 -57.4841 9.93968 -24.3439 6.13933 8.82389 TIMING: 1773600 CPU: 5541.87, 0.00311384/step Wall: 5541.87, 0.00311384/step, 2.79069 hours remaining, 234.957031 MB of memory in use. ENERGY: 1773600 3976.6007 20477.8805 14471.1792 262.1214 -203479.8603 2838.6183 0.0000 0.0000 52154.0233 -109299.4370 299.7299 -161453.4602 -108930.2728 299.5046 -254.7387 -220.7469 763231.0220 -7.0354 -7.2284 PRESSURE: 1773800 -333.785 -57.8319 -51.0752 -57.8316 -245.806 49.4768 -51.0747 49.4762 -87.329 GPRESSURE: 1773800 -226.249 -71.6025 35.8229 -17.0604 -234.037 -26.6488 -13.3528 59.3049 -128.444 PRESSAVG: 1773800 50.5792 -52.3666 0.78548 -52.3667 -66.4144 -32.3719 0.785484 -32.3719 -25.2197 GPRESSAVG: 1773800 49.4482 -51.1568 -0.520095 -52.9935 -65.8466 -33.0978 1.3635 -28.3019 -24.9038 TIMING: 1773800 CPU: 5542.49, 0.00310176/step Wall: 5542.49, 0.00310176/step, 2.77969 hours remaining, 234.957031 MB of memory in use. ENERGY: 1773800 3983.3986 20478.8147 14362.7422 252.9987 -203330.0593 2659.4589 0.0000 0.0000 51856.1132 -109736.5330 298.0178 -161592.6462 -109372.7051 298.7303 -222.3066 -196.2433 761582.5385 -13.6850 -13.7674 PRESSURE: 1774000 -82.3975 159.686 -140.687 159.686 16.7834 145.59 -140.687 145.592 -282.621 GPRESSURE: 1774000 -65.7777 91.1922 -137.589 72.581 42.6045 115.51 -143.124 107.889 -247.277 PRESSAVG: 1774000 31.3011 -4.39252 -38.6332 -4.39257 -17.9669 7.73766 -38.6332 7.73766 6.14946 GPRESSAVG: 1774000 31.6166 -6.32135 -39.0222 -6.55556 -18.7745 8.64462 -40.2614 5.79175 6.58399 TIMING: 1774000 CPU: 5543.1, 0.00309232/step Wall: 5543.1, 0.00309232/step, 2.77106 hours remaining, 234.957031 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: 1774000 3999.5432 20347.1767 14436.9868 236.4916 -203387.8465 2598.9617 0.0000 0.0000 52403.4303 -109365.2562 301.1632 -161768.6866 -109006.5930 299.0295 -116.0782 -90.1499 761271.6995 6.4945 6.4754 PRESSURE: 1774200 274.551 -52.1981 62.5164 -52.1983 -216.43 -22.8734 62.5166 -22.8733 -411.432 GPRESSURE: 1774200 159.796 54.5291 187.78 -43.7796 -119.898 -95.0576 102.943 1.18048 -338.669 PRESSAVG: 1774200 -28.8209 0.716246 -1.76407 0.716176 2.18871 73.9637 -1.7641 73.9636 -11.3738 GPRESSAVG: 1774200 -29.5521 2.90889 -1.85508 2.8943 3.66318 73.6775 0.581506 74.1 -12.0294 TIMING: 1774200 CPU: 5543.73, 0.0031052/step Wall: 5543.73, 0.0031052/step, 2.78243 hours remaining, 234.957031 MB of memory in use. ENERGY: 1774200 3966.0120 20475.8070 14442.1731 235.8398 -203417.8143 2543.1787 0.0000 0.0000 52173.7917 -109581.0119 299.8435 -161754.8036 -109212.6111 299.0659 -117.7701 -99.5903 762272.2243 -12.6687 -12.6394 PRESSURE: 1774400 403.289 -26.5321 143.855 -26.5331 75.0224 -163.128 143.855 -163.128 -178.337 GPRESSURE: 1774400 419.307 -35.1109 194.091 13.2956 100.246 -62.2894 178.156 -121.956 -144.836 PRESSAVG: 1774400 -28.1074 -2.81102 46.7988 -2.81102 2.1317 -3.35642 46.7987 -3.35641 -11.4595 GPRESSAVG: 1774400 -26.9853 -4.71973 47.1161 -2.30796 1.63328 -3.8557 46.0054 -3.2993 -13.0049 TIMING: 1774400 CPU: 5544.35, 0.00312099/step Wall: 5544.35, 0.00312099/step, 2.7964 hours remaining, 234.957031 MB of memory in use. ENERGY: 1774400 3904.3184 20567.3152 14364.5327 252.6404 -203410.2176 2713.7738 0.0000 0.0000 51926.4483 -109681.1889 298.4220 -161607.6372 -109316.9883 298.4543 99.9918 124.9056 763006.1195 -12.4784 -12.7857 PRESSURE: 1774600 265.988 147.757 -63.9807 147.757 -61.882 62.6175 -63.9815 62.618 -368.374 GPRESSURE: 1774600 271.793 48.328 -16.7065 91.076 -46.6208 48.1234 34.1212 31.5072 -308.669 PRESSAVG: 1774600 70.2472 -29.4696 11.1719 -29.4696 -46.2423 30.864 11.1719 30.8639 -14.4316 GPRESSAVG: 1774600 69.894 -29.0082 12.4581 -30.5824 -46.4693 30.4987 9.11734 31.1462 -14.2867 TIMING: 1774600 CPU: 5544.97, 0.00312518/step Wall: 5544.97, 0.00312518/step, 2.79999 hours remaining, 234.957031 MB of memory in use. ENERGY: 1774600 4026.2540 20328.7253 14489.8008 268.7171 -203570.7473 2666.5324 0.0000 0.0000 51932.7866 -109857.9311 298.4584 -161790.7177 -109499.1072 298.1342 -54.7558 -27.8320 760142.5320 3.1911 3.0460 PRESSURE: 1774800 263.541 109.262 -208.363 109.263 -9.27059 -97.816 -208.363 -97.8158 -358.071 GPRESSURE: 1774800 267.252 78.3915 -292.886 115.403 -5.4467 -112.147 -44.3691 -4.13903 -260.521 PRESSAVG: 1774800 16.5037 21.4667 -4.51847 21.4667 4.07519 5.31722 -4.51846 5.31726 11.2002 GPRESSAVG: 1774800 16.3052 22.0713 -6.54776 19.9935 3.25755 5.57915 -3.42005 5.36318 12.4984 TIMING: 1774800 CPU: 5545.6, 0.00311564/step Wall: 5545.6, 0.00311564/step, 2.79127 hours remaining, 234.957031 MB of memory in use. ENERGY: 1774800 3988.6801 20534.9975 14383.7842 243.0874 -203314.0760 2768.3212 0.0000 0.0000 51782.3752 -109612.8303 297.5940 -161395.2056 -109257.9522 298.3026 -34.6000 0.4284 761548.7589 10.5931 10.6870 PRESSURE: 1775000 499.689 88.6469 147.023 88.6475 176.121 32.9619 147.022 32.9621 -175.218 GPRESSURE: 1775000 474.907 150.317 66.4582 73.2424 234.243 128.447 223.437 -35.0661 -103.743 PRESSAVG: 1775000 33.2217 32.1023 24.6793 32.1022 -34.4511 41.1464 24.6793 41.1463 21.4383 GPRESSAVG: 1775000 32.653 33.3037 24.2253 31.7075 -33.9385 40.83 25.4094 39.4196 21.4419 TIMING: 1775000 CPU: 5546.22, 0.0031171/step Wall: 5546.22, 0.0031171/step, 2.7924 hours remaining, 234.957031 MB of memory in use. ENERGY: 1775000 3924.7672 20595.3024 14392.9223 240.9082 -203553.7827 2860.2781 0.0000 0.0000 51996.1117 -109543.4928 298.8224 -161539.6045 -109172.8252 298.6788 166.8637 201.8024 761630.4805 6.7363 6.7188 PRESSURE: 1775200 -26.035 109.97 41.2314 109.97 -28.5761 367.561 41.232 367.562 -17.5231 GPRESSURE: 1775200 14.608 143.392 7.47621 112.407 -21.5267 276.436 -15.0444 316.023 5.92301 PRESSAVG: 1775200 62.7235 31.6996 -63.1953 31.6996 -24.0155 -6.5678 -63.1953 -6.56781 1.9385 GPRESSAVG: 1775200 62.8244 30.684 -62.2948 34.2079 -24.3486 -8.45536 -65.227 -4.22376 1.78173 TIMING: 1775200 CPU: 5546.84, 0.00311408/step Wall: 5546.84, 0.00311408/step, 2.78952 hours remaining, 234.957031 MB of memory in use. ENERGY: 1775200 3968.2382 20575.0512 14490.9976 235.5419 -203578.2078 2838.4180 0.0000 0.0000 51862.0184 -109607.9426 298.0517 -161469.9609 -109245.1542 298.6642 -24.0448 -0.3319 762449.4560 13.5488 13.4192 PRESSURE: 1775400 17.1613 0.0912876 -5.5636 0.0909705 15.2149 -158.285 -5.56363 -158.284 -173.829 GPRESSURE: 1775400 51.7626 77.2715 -0.636293 0.733195 -22.8846 -146.695 88.691 -119.203 -91.6375 PRESSAVG: 1775400 -4.02864 -1.56095 -9.51021 -1.5609 35.8337 29.2248 -9.51029 29.2248 4.41077 GPRESSAVG: 1775400 -2.60598 -1.44728 -8.23561 -0.809782 34.5524 30.2372 -7.41271 28.4202 4.4907 TIMING: 1775400 CPU: 5547.47, 0.00310729/step Wall: 5547.47, 0.00310729/step, 2.78327 hours remaining, 234.957031 MB of memory in use. ENERGY: 1775400 3965.9939 20493.4004 14476.1943 258.7687 -203371.7813 2648.6472 0.0000 0.0000 51872.6959 -109656.0809 298.1131 -161528.7768 -109290.5881 298.2642 -47.1510 -20.9199 761623.0112 12.0719 12.1457 PRESSURE: 1775600 -213.548 -100.439 277.813 -100.438 -207.936 -94.4131 277.813 -94.4133 -262.574 GPRESSURE: 1775600 -230.158 -95.9466 214.161 -172.359 -182.177 -132.128 91.3647 -79.6685 -201.289 PRESSAVG: 1775600 24.2735 -4.88293 -13.491 -4.88293 -41.6879 16.4037 -13.4911 16.4037 -27.0492 GPRESSAVG: 1775600 24.47 -5.50792 -15.452 -6.35098 -40.8106 16.5815 -14.3674 16.9239 -28.1521 TIMING: 1775600 CPU: 5548.08, 0.00309819/step Wall: 5548.08, 0.00309819/step, 2.77495 hours remaining, 234.957031 MB of memory in use. ENERGY: 1775600 4027.5873 20522.6911 14408.4513 251.9940 -202909.4974 2634.6151 0.0000 0.0000 51695.0097 -109369.1489 297.0919 -161064.1586 -109021.1945 298.6168 -228.0194 -204.5415 763248.6930 -14.8212 -14.8309 PRESSURE: 1775800 20.9966 242.589 50.7333 242.589 -131.766 26.0155 50.7346 26.0157 131.264 GPRESSURE: 1775800 -3.57123 170.609 205.625 172.236 -104.684 22.7676 21.1055 -51.8582 230.774 PRESSAVG: 1775800 -24.8851 87.4873 7.63087 87.4873 21.3556 -1.23208 7.63089 -1.23202 -4.42715 GPRESSAVG: 1775800 -25.4908 88.262 11.074 85.9028 20.4575 0.352534 6.628 -2.16343 -3.49237 TIMING: 1775800 CPU: 5548.71, 0.00311277/step Wall: 5548.71, 0.00311277/step, 2.78783 hours remaining, 234.957031 MB of memory in use. ENERGY: 1775800 3932.6752 20516.8365 14396.2857 258.1626 -203538.0809 2843.8924 0.0000 0.0000 52286.6116 -109303.6169 300.4919 -161590.2285 -108940.0388 298.9348 6.8314 40.8396 762575.4512 -2.6522 -2.8419 PRESSURE: 1776000 185.838 156.707 -219.303 156.708 48.9023 157.366 -219.303 157.366 -219.833 GPRESSURE: 1776000 245.537 207.009 -313.575 289.54 64.7307 264.57 -188.378 104.859 -212.421 PRESSAVG: 1776000 4.70935 -19.842 -20.4175 -19.842 -24.1814 -35.2736 -20.4174 -35.2736 -4.304 GPRESSAVG: 1776000 3.70357 -20.1219 -22.7841 -18.8964 -23.232 -34.7414 -20.9031 -35.3889 -5.05819 TIMING: 1776000 CPU: 5549.33, 0.00311084/step Wall: 5549.33, 0.00311084/step, 2.78593 hours remaining, 234.957031 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: 1776000 3953.6864 20467.8895 14454.0860 245.0808 -203238.0380 2686.4273 0.0000 0.0000 51937.3718 -109493.4962 298.4848 -161430.8680 -109124.7921 298.7128 4.9690 32.6158 761117.6909 -7.9254 -8.1956 PRESSURE: 1776200 3.89472 -2.39673 -2.78351 -2.39772 213.022 59.3893 -2.78354 59.3898 16.8765 GPRESSURE: 1776200 87.4879 71.5559 -75.327 42.7391 180.211 75.3808 4.8653 112.929 63.2014 PRESSAVG: 1776200 17.9711 19.5068 -27.5269 19.5068 -27.9461 4.53632 -27.5269 4.53634 -8.28947 GPRESSAVG: 1776200 18.3018 17.9798 -28.1033 20.3315 -28.1464 3.75667 -25.7122 5.85819 -8.69421 TIMING: 1776200 CPU: 5549.95, 0.00311615/step Wall: 5549.95, 0.00311615/step, 2.79052 hours remaining, 234.957031 MB of memory in use. ENERGY: 1776200 3913.0241 20447.3532 14448.9965 243.7961 -203680.2164 2949.2919 0.0000 0.0000 51948.8227 -109728.9320 298.5506 -161677.7547 -109365.5910 298.3717 77.9310 110.3001 762297.6802 -6.0882 -6.1796 LDB: ============= START OF LOAD BALANCING ============== 5562.43 LDB: ============== END OF LOAD BALANCING =============== 5562.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5562.43 LDB: ============= START OF LOAD BALANCING ============== 5562.74 LDB: Largest compute 6985 load 0.030509 is 15.6% of average load 0.194976 LDB: Average compute 0.004387 is 2.3% of average load 0.194976 LDB: TIME 5562.75 LOAD: AVG 0.194976 MAX 0.214965 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.273 MB LDB: TIME 5562.75 LOAD: AVG 0.194976 MAX 0.214965 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.344 MB LDB: TIME 5562.75 LOAD: AVG 0.194976 MAX 0.214965 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.344 MB LDB: ============== END OF LOAD BALANCING =============== 5562.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5562.75 PRESSURE: 1776400 -410.687 -129.2 -109.011 -129.2 -185.523 -262.705 -109.011 -262.705 -375.444 GPRESSURE: 1776400 -353.125 -180.859 -160.7 -146.762 -198.733 -230.171 -61.4778 -170.756 -343.213 PRESSAVG: 1776400 5.06741 -11.3099 -15.1308 -11.3098 -2.0216 -49.1868 -15.1308 -49.1868 8.78111 GPRESSAVG: 1776400 5.64749 -11.0691 -14.5873 -10.7644 -2.11725 -50.9902 -15.5327 -51.1263 8.63067 TIMING: 1776400 CPU: 5550.59, 0.00317367/step Wall: 5550.59, 0.00317367/step, 2.84185 hours remaining, 235.277344 MB of memory in use. ENERGY: 1776400 4033.3057 20492.1051 14474.5427 241.9609 -202878.6307 2153.5894 0.0000 0.0000 52044.0342 -109439.0926 299.0978 -161483.1269 -109085.0562 299.1950 -323.8844 -298.3571 762471.7183 3.9423 4.0536 PRESSURE: 1776600 306.605 -89.0935 404.68 -89.0949 -561.102 -37.0898 404.679 -37.0883 -22.4103 GPRESSURE: 1776600 244.563 9.42176 486.146 -53.8096 -453.441 -19.7011 253.989 -48.1976 -1.05806 PRESSAVG: 1776600 55.7739 29.7627 2.47952 29.7627 -38.6879 -55.9587 2.47947 -55.9587 -10.0764 GPRESSAVG: 1776600 54.0627 30.4949 3.48646 30.165 -36.702 -54.8055 2.58604 -55.7125 -10.6709 TIMING: 1776600 CPU: 5551.21, 0.00312733/step Wall: 5551.21, 0.00312733/step, 2.80018 hours remaining, 235.476562 MB of memory in use. ENERGY: 1776600 3997.0310 20586.0322 14413.9129 265.7044 -203426.1932 2592.9427 0.0000 0.0000 52042.8159 -109527.7540 299.0908 -161570.5699 -109163.9229 298.9424 -92.3025 -69.9788 763086.4029 2.3366 2.2299 PRESSURE: 1776800 -59.9893 176.287 60.7285 176.287 -262.823 -74.9412 60.7287 -74.9412 -266.28 GPRESSURE: 1776800 -36.5809 109.221 -34.9736 174.988 -303.964 35.676 77.3545 20.0285 -160.482 PRESSAVG: 1776800 13.0889 23.552 68.4314 23.552 -21.7529 -40.6817 68.4314 -40.6816 -13.0535 GPRESSAVG: 1776800 15.3274 24.2316 65.5562 21.3423 -23.726 -40.3134 69.8059 -39.5626 -13.571 TIMING: 1776800 CPU: 5551.84, 0.00311826/step Wall: 5551.84, 0.00311826/step, 2.79188 hours remaining, 235.476562 MB of memory in use. ENERGY: 1776800 4051.0948 20516.0594 14431.2296 263.0676 -203317.1314 2716.1045 0.0000 0.0000 51856.0410 -109483.5345 298.0174 -161339.5755 -109123.4794 298.6109 -196.3638 -167.0090 762441.3075 -7.2392 -7.3232 PRESSURE: 1777000 79.3371 79.4842 -141.55 79.4846 -211.782 150.999 -141.55 150.999 162.992 GPRESSURE: 1777000 99.7711 103.656 -72.8049 67.8523 -106.134 167.514 -146.127 104.192 118.304 PRESSAVG: 1777000 26.1763 14.3552 -47.7787 14.3552 -59.3201 9.40154 -47.7788 9.40149 -3.82466 GPRESSAVG: 1777000 25.5544 11.854 -46.6045 15.4982 -59.8294 8.01127 -48.1941 9.28495 -3.0968 TIMING: 1777000 CPU: 5552.46, 0.00311352/step Wall: 5552.46, 0.00311351/step, 2.78746 hours remaining, 235.476562 MB of memory in use. ENERGY: 1777000 3998.0660 20363.7532 14420.6423 225.5856 -203365.9276 2657.8534 0.0000 0.0000 52042.9320 -109657.0951 299.0914 -161700.0271 -109299.9624 298.5200 10.1824 37.3136 764302.5673 -12.3228 -12.4573 PRESSURE: 1777200 78.2026 -77.4072 -22.7694 -77.4076 100.497 15.4099 -22.7712 15.4098 34.6156 GPRESSURE: 1777200 78.9143 -132.344 2.52531 -14.8511 153.569 -5.68603 20.7732 65.7036 61.5815 PRESSAVG: 1777200 -19.1396 -31.7767 15.2858 -31.7767 12.3332 26.8654 15.2857 26.8653 -13.1789 GPRESSAVG: 1777200 -19.7862 -31.5866 15.9728 -30.1196 13.3108 27.2594 17.1262 26.5485 -13.3878 TIMING: 1777200 CPU: 5553.08, 0.00311332/step Wall: 5553.08, 0.00311332/step, 2.78712 hours remaining, 235.476562 MB of memory in use. ENERGY: 1777200 4055.5088 20431.9804 14412.3761 242.4417 -203463.2896 2877.8773 0.0000 0.0000 52029.5078 -109413.5974 299.0143 -161443.1052 -109051.4914 298.4330 71.1050 98.0215 763150.6228 -6.6618 -6.6210 PRESSURE: 1777400 83.9873 -54.539 42.4779 -54.5394 156.546 60.5227 42.4778 60.5225 -1.47492 GPRESSURE: 1777400 49.7056 -59.4055 -68.2365 -112.978 260.27 94.829 83.7615 -28.2971 17.9707 PRESSAVG: 1777400 -17.2436 -6.49964 -7.98222 -6.49965 20.207 -2.98826 -7.98229 -2.98822 22.6186 GPRESSAVG: 1777400 -17.0448 -4.20564 -9.97558 -9.50039 19.3565 -1.36156 -9.2953 -4.71404 23.4918 TIMING: 1777400 CPU: 5553.7, 0.00311084/step Wall: 5553.7, 0.00311084/step, 2.78472 hours remaining, 235.476562 MB of memory in use. ENERGY: 1777400 4038.0701 20665.2379 14444.5765 240.5525 -203401.3947 2663.3914 0.0000 0.0000 52018.3187 -109331.2476 298.9500 -161349.5663 -108959.9484 299.0005 79.6860 109.3155 761493.6093 8.5273 8.6012 PRESSURE: 1777600 -295.346 162.416 -82.4601 162.415 -358.175 114.868 -82.4591 114.87 70.6114 GPRESSURE: 1777600 -206.932 126.805 -179.404 135.448 -344.587 140.637 -62.8856 25.1668 54.6084 PRESSAVG: 1777600 -52.9926 41.8072 3.38887 41.8073 -3.06236 -25.4304 3.38889 -25.4303 -8.13617 GPRESSAVG: 1777600 -53.583 41.5808 5.3094 42.7998 -2.66909 -26.7805 2.0876 -23.0115 -8.17074 TIMING: 1777600 CPU: 5554.33, 0.00311107/step Wall: 5554.33, 0.00311107/step, 2.78475 hours remaining, 235.476562 MB of memory in use. ENERGY: 1777600 4007.3433 20514.5650 14386.5353 227.7890 -203294.4268 2845.6198 0.0000 0.0000 51868.5997 -109443.9747 298.0896 -161312.5744 -109080.4691 298.9977 -194.3033 -165.6368 762463.1846 -21.3971 -21.4743 PRESSURE: 1777800 -725.408 -24.4701 -140.057 -24.4708 -410.291 52.1933 -140.058 52.1948 -285.758 GPRESSURE: 1777800 -632.528 -99.166 -169.286 69.0943 -436.709 -23.351 -53.4417 63.5704 -282.257 PRESSAVG: 1777800 -66.377 -5.03983 32.2917 -5.03985 60.3002 -16.5648 32.2917 -16.5648 -12.8323 GPRESSAVG: 1777800 -66.2459 -5.06623 31.9811 -5.24884 60.4972 -17.4237 34.8648 -17.6819 -13.5556 TIMING: 1777800 CPU: 5554.95, 0.00311649/step Wall: 5554.95, 0.00311649/step, 2.78943 hours remaining, 235.476562 MB of memory in use. ENERGY: 1777800 4015.1614 20600.8600 14379.7838 246.8061 -202862.2582 2281.4012 0.0000 0.0000 51957.5956 -109380.6500 298.6010 -161338.2457 -109013.2639 298.9046 -473.8192 -450.4980 762265.9256 -6.3030 -6.4347 PRESSURE: 1778000 91.2066 -115.8 -103.095 -115.799 381.182 -86.8978 -103.094 -86.8978 -122.435 GPRESSURE: 1778000 99.1882 -172.567 -70.271 -108.981 322.226 -140.01 -233.037 -52.8126 15.9196 PRESSAVG: 1778000 -32.1386 9.61432 -39.5113 9.61426 19.9012 -7.88094 -39.5113 -7.88084 13.9207 GPRESSAVG: 1778000 -31.8037 10.7169 -40.5381 8.33617 18.755 -6.97785 -40.9168 -6.59401 14.2181 TIMING: 1778000 CPU: 5555.57, 0.00311619/step Wall: 5555.57, 0.00311619/step, 2.78899 hours remaining, 235.476562 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: 1778000 3955.1869 20648.1790 14513.0788 242.6776 -203490.6729 2750.7614 0.0000 0.0000 51994.3070 -109386.4821 298.8120 -161380.7891 -109013.4333 299.2689 116.6512 145.7779 760103.6016 0.5611 0.3898 PRESSURE: 1778200 -23.8059 -55.8373 -66.2678 -55.8361 26.1865 -104.173 -66.2676 -104.173 -231.375 GPRESSURE: 1778200 -86.6326 -152.405 -113.059 -49.1447 82.4591 -88.2132 43.8978 -43.9974 -155.405 PRESSAVG: 1778200 -75.4326 -26.7106 -17.7715 -26.7106 43.5505 20.8308 -17.7715 20.8308 -21.5396 GPRESSAVG: 1778200 -74.6956 -30.0693 -17.8766 -25.7527 42.9428 22.2248 -17.4712 17.4475 -21.5135 TIMING: 1778200 CPU: 5556.2, 0.00311049/step Wall: 5556.2, 0.00311049/step, 2.78372 hours remaining, 235.476562 MB of memory in use. ENERGY: 1778200 4006.9785 20664.2077 14399.6988 263.5261 -203240.7402 2725.7773 0.0000 0.0000 51864.7392 -109315.8127 298.0674 -161180.5518 -108956.4808 298.9565 -76.3314 -53.1929 763165.8258 -17.8073 -17.7555 PRESSURE: 1778400 158.942 125.683 -9.72939 125.683 -344.564 186.53 -9.7306 186.529 35.5542 GPRESSURE: 1778400 151.35 169.455 -31.678 183.143 -243.526 169.93 25.3534 74.4761 28.4272 PRESSAVG: 1778400 -13.3209 -0.384246 -17.8328 -0.384321 -12.8616 11.2566 -17.8328 11.2566 11.8673 GPRESSAVG: 1778400 -14.4561 1.37581 -18.0532 -1.72465 -12.6474 10.1053 -16.548 12.7759 12.373 TIMING: 1778400 CPU: 5556.82, 0.00311025/step Wall: 5556.82, 0.00311025/step, 2.78333 hours remaining, 235.476562 MB of memory in use. ENERGY: 1778400 4024.2150 20536.3103 14371.0632 269.5065 -203570.6730 3031.0452 0.0000 0.0000 52176.3471 -109162.1857 299.8582 -161338.5328 -108784.2087 299.3440 -50.0227 -21.2495 762014.1732 -4.7717 -4.9102 PRESSURE: 1778600 106.25 -55.7436 144.153 -55.7436 111.967 -28.4074 144.153 -28.4079 253.479 GPRESSURE: 1778600 133.531 -37.6163 152.788 -27.4669 135.866 49.4379 31.1283 151.527 284.134 PRESSAVG: 1778600 -21.7851 -12.0982 -45.0199 -12.0982 46.4514 5.64141 -45.02 5.64145 12.4361 GPRESSAVG: 1778600 -20.7494 -12.9893 -43.3739 -11.225 46.3877 4.20737 -47.7094 7.17214 11.9936 TIMING: 1778600 CPU: 5557.44, 0.00312077/step Wall: 5557.44, 0.00312077/step, 2.79257 hours remaining, 235.476562 MB of memory in use. ENERGY: 1778600 4016.7931 20613.1405 14374.7681 246.2099 -203216.3354 2742.1201 0.0000 0.0000 51965.2807 -109258.0229 298.6452 -161223.3037 -108895.1191 299.7137 157.2320 184.5101 762702.2949 12.3675 12.5439 PRESSURE: 1778800 115.556 102.837 -206.693 102.837 306.605 88.3562 -206.693 88.3546 229.43 GPRESSURE: 1778800 179.784 168.78 -131.108 136.629 363.147 115.984 -150.934 13.0469 184.856 PRESSAVG: 1778800 -56.2849 -48.3696 -21.926 -48.3696 65.2567 39.596 -21.926 39.596 4.0338 GPRESSAVG: 1778800 -57.5763 -47.794 -22.4902 -48.6532 66.4255 39.8566 -19.3949 37.4447 4.34146 TIMING: 1778800 CPU: 5558.07, 0.00311877/step Wall: 5558.07, 0.00311877/step, 2.79061 hours remaining, 235.476562 MB of memory in use. ENERGY: 1778800 4019.5960 20696.9285 14388.1705 255.5001 -203253.4708 2748.1425 0.0000 0.0000 51798.2455 -109346.8876 297.6852 -161145.1331 -108985.3790 298.8847 217.1971 242.5956 762587.8316 4.3352 4.3969 PRESSURE: 1779000 221.717 53.0045 -37.9342 53.0041 -319.483 71.1608 -37.9339 71.1608 -66.9562 GPRESSURE: 1779000 271.871 98.3762 71.1467 -15.795 -265.543 155.982 -78.7746 36.7609 -81.384 PRESSAVG: 1779000 -54.9217 -7.02025 1.65538 -7.02027 20.7858 30.632 1.65543 30.632 17.8099 GPRESSAVG: 1779000 -54.0897 -3.85737 1.37527 -6.30621 19.9984 32.0459 0.603867 29.7524 18.1002 TIMING: 1779000 CPU: 5558.69, 0.0031146/step Wall: 5558.69, 0.0031146/step, 2.7867 hours remaining, 235.476562 MB of memory in use. ENERGY: 1779000 3996.5146 20558.1583 14375.1494 262.9676 -203330.8435 2821.2608 0.0000 0.0000 51829.7243 -109487.0685 297.8661 -161316.7928 -109133.1292 298.6335 -54.9074 -25.0186 763479.6838 -5.4420 -5.3304 PRESSURE: 1779200 89.7764 -88.3774 168.01 -88.3779 94.3711 -107.299 168.011 -107.3 282.116 GPRESSURE: 1779200 104.792 15.1251 176.616 -9.85336 118.169 -97.1345 124.94 58.5233 314.589 PRESSAVG: 1779200 -20.6354 -26.4926 23.4575 -26.4926 -11.1306 -2.73045 23.4575 -2.7305 -10.5605 GPRESSAVG: 1779200 -20.5766 -30.2404 24.9732 -26.6989 -11.0489 -4.58744 24.4999 -0.486241 -10.7972 TIMING: 1779200 CPU: 5559.31, 0.00310819/step Wall: 5559.31, 0.00310819/step, 2.78079 hours remaining, 235.476562 MB of memory in use. ENERGY: 1779200 4017.9097 20575.7921 14466.1900 256.1984 -203268.4482 2670.5031 0.0000 0.0000 51865.1094 -109416.7456 298.0695 -161281.8550 -109058.2254 298.4592 155.4211 179.1836 760765.4319 -14.1088 -14.1409 PRESSURE: 1779400 -208.07 8.81722 85.6092 8.81753 102.875 194.402 85.609 194.403 85.1137 GPRESSURE: 1779400 -72.5231 39.8123 84.7161 9.15125 112.838 171.279 -1.19492 159.941 40.8193 PRESSAVG: 1779400 43.714 -9.72257 -5.09738 -9.72261 -35.3756 -22.0351 -5.09743 -22.0352 4.5009 GPRESSAVG: 1779400 43.5509 -8.07395 -3.84696 -11.4189 -34.8773 -20.063 -6.54259 -24.0503 4.51504 TIMING: 1779400 CPU: 5559.93, 0.00312561/step Wall: 5559.93, 0.00312561/step, 2.79621 hours remaining, 235.476562 MB of memory in use. ENERGY: 1779400 4004.5620 20590.0359 14477.8995 247.7660 -203657.7692 2962.7606 0.0000 0.0000 52159.0349 -109215.7103 299.7587 -161374.7452 -108856.6389 298.9920 -6.6937 27.0446 761957.8055 4.2798 4.3962 PRESSURE: 1779600 -323.919 162.278 20.0912 162.277 -8.73034 18.1299 20.0916 18.1298 320.479 GPRESSURE: 1779600 -242.861 142.799 -56.9601 34.8206 1.10975 -55.8515 57.2247 -93.2538 327.905 PRESSAVG: 1779600 -26.7414 26.7047 21.6798 26.7047 -5.387 39.085 21.6797 39.0849 5.69958 GPRESSAVG: 1779600 -25.5239 24.7774 19.0218 31.2939 -6.6965 39.71 22.4224 38.7687 5.95082 TIMING: 1779600 CPU: 5560.56, 0.00310576/step Wall: 5560.56, 0.00310576/step, 2.77827 hours remaining, 235.476562 MB of memory in use. ENERGY: 1779600 3988.9487 20588.0080 14438.1221 236.3674 -203430.5415 2798.7245 0.0000 0.0000 52048.5075 -109331.8632 299.1235 -161380.3708 -108962.5496 299.3183 -4.0568 28.7179 761666.4294 -8.8096 -8.7565 PRESSURE: 1779800 -29.3744 -102.015 -5.95388 -102.015 137.483 -54.7528 -5.954 -54.7523 253.184 GPRESSURE: 1779800 -43.5638 -104.201 76.8908 -20.4582 152.532 34.3908 54.379 25.4295 317.882 PRESSAVG: 1779800 -51.264 11.7674 84.6011 11.7674 12.6132 48.1217 84.601 48.1217 -4.42739 GPRESSAVG: 1779800 -52.3489 11.4681 83.4683 10.5212 13.3494 47.5452 84.4266 48.5568 -4.17552 TIMING: 1779800 CPU: 5561.18, 0.00312074/step Wall: 5561.18, 0.00312073/step, 2.7915 hours remaining, 235.476562 MB of memory in use. ENERGY: 1779800 4026.8038 20632.9490 14428.3449 257.6068 -203595.7267 2907.3794 0.0000 0.0000 52032.5940 -109310.0488 299.0320 -161342.6429 -108949.6164 299.2270 120.4311 142.2832 762458.4416 -14.3594 -14.3917 PRESSURE: 1780000 -52.0866 30.7008 -149.274 30.7005 -146.867 -69.5469 -149.274 -69.5478 227.728 GPRESSURE: 1780000 1.25776 -15.6736 -177.095 -32.1009 -162.361 -119.996 -88.6204 -29.3122 277.369 PRESSAVG: 1780000 16.6876 -4.11419 1.28079 -4.11415 -10.9635 -9.29707 1.2808 -9.297 -2.7584 GPRESSAVG: 1780000 17.0403 -2.77221 3.10861 -5.65725 -10.7378 -8.5927 2.20026 -9.56006 -3.42811 TIMING: 1780000 CPU: 5561.8, 0.00311781/step Wall: 5561.8, 0.00311781/step, 2.7887 hours remaining, 235.476562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1780000 4015.8951 20384.0751 14430.9003 236.4941 -203316.9504 2590.4750 0.0000 0.0000 52299.2429 -109359.8678 300.5645 -161659.1107 -109002.4130 299.0705 9.5915 38.7553 761997.8828 0.9886 0.9581 PRESSURE: 1780200 307.509 -88.8669 195.932 -88.867 220.171 144.872 195.933 144.873 118.512 GPRESSURE: 1780200 460.635 -120.711 213.995 -106.162 233.229 178.578 101.704 93.7644 48.6792 PRESSAVG: 1780200 17.0425 -20.9428 37.1503 -20.9429 12.5371 -8.71292 37.1504 -8.71288 20.1862 GPRESSAVG: 1780200 17.5906 -20.8611 36.9731 -22.3497 12.2955 -8.60321 36.9198 -8.9755 20.4631 TIMING: 1780200 CPU: 5562.43, 0.00312252/step Wall: 5562.43, 0.00312252/step, 2.79275 hours remaining, 235.476562 MB of memory in use. ENERGY: 1780200 4110.4669 20533.2888 14405.2185 244.7782 -204230.2418 3230.6507 0.0000 0.0000 52206.3292 -109499.5094 300.0305 -161705.8386 -109147.5590 299.1242 215.3972 247.5145 760026.6806 16.5886 16.7831 LDB: ============= START OF LOAD BALANCING ============== 5574.91 LDB: ============== END OF LOAD BALANCING =============== 5574.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5574.91 LDB: ============= START OF LOAD BALANCING ============== 5575.22 LDB: Largest compute 6985 load 0.029203 is 15.0% of average load 0.195083 LDB: Average compute 0.004405 is 2.3% of average load 0.195083 LDB: TIME 5575.22 LOAD: AVG 0.195083 MAX 0.215123 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.742 MB LDB: TIME 5575.22 LOAD: AVG 0.195083 MAX 0.215123 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.836 MB LDB: TIME 5575.22 LOAD: AVG 0.195083 MAX 0.215123 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.836 MB LDB: ============== END OF LOAD BALANCING =============== 5575.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5575.23 PRESSURE: 1780400 152.693 52.2032 -13.7356 52.2039 -72.4607 -23.8727 -13.735 -23.8727 -356.214 GPRESSURE: 1780400 64.8817 -20.4277 10.1608 -117.53 -10.797 -31.6229 27.9729 -5.25783 -249.702 PRESSAVG: 1780400 47.0768 12.7661 -1.64057 12.7661 -9.99615 -38.5851 -1.64055 -38.5851 8.05788 GPRESSAVG: 1780400 45.8792 12.3294 -1.5201 14.2769 -9.7723 -39.8865 -2.2512 -35.8685 8.63202 TIMING: 1780400 CPU: 5563.06, 0.00317946/step Wall: 5563.06, 0.00317946/step, 2.8435 hours remaining, 234.765625 MB of memory in use. ENERGY: 1780400 4030.6402 20523.5593 14432.3358 240.0257 -203523.8903 2814.9615 0.0000 0.0000 51932.9308 -109549.4371 298.4593 -161482.3679 -109180.8665 298.9613 -91.9937 -65.2056 760874.6855 15.0462 14.9130 PRESSURE: 1780600 188.314 -239.214 -76.1471 -239.213 166.533 -306.06 -76.1476 -306.06 -377.959 GPRESSURE: 1780600 154.686 -127.511 -128.558 -222.203 251.444 -233.177 -24.8318 -248.229 -358.438 PRESSAVG: 1780600 -12.2876 -12.3247 -7.19006 -12.3246 -9.82256 -91.975 -7.19007 -91.975 5.12318 GPRESSAVG: 1780600 -12.5569 -12.425 -7.34539 -14.1102 -8.43417 -91.7756 -7.3778 -93.7129 4.19083 TIMING: 1780600 CPU: 5563.69, 0.00311671/step Wall: 5563.69, 0.00311672/step, 2.78721 hours remaining, 234.765625 MB of memory in use. ENERGY: 1780600 3920.9072 20708.5542 14398.4516 250.0586 -203791.6531 2756.4110 0.0000 0.0000 52008.0235 -109749.2468 298.8908 -161757.2703 -109384.5914 298.5882 -7.7039 15.8974 760927.1545 -5.6623 -5.6001 PRESSURE: 1780800 -87.7334 96.2733 -206.238 96.2745 173.216 26.459 -206.239 26.4593 -8.58802 GPRESSURE: 1780800 116.621 121.697 -167.291 -6.29768 128.517 86.9285 -32.4878 20.6727 -70.7221 PRESSAVG: 1780800 13.302 22.7777 -4.86125 22.7777 -6.71686 -37.8141 -4.86126 -37.8142 19.1071 GPRESSAVG: 1780800 14.8052 24.9308 -6.07784 22.7119 -8.46797 -38.2112 -2.23684 -37.8258 19.3884 TIMING: 1780800 CPU: 5564.31, 0.0031285/step Wall: 5564.31, 0.0031285/step, 2.79757 hours remaining, 234.765625 MB of memory in use. ENERGY: 1780800 4036.7832 20537.3962 14448.7353 255.9142 -203601.2678 2697.1538 0.0000 0.0000 51980.2537 -109645.0315 298.7312 -161625.2852 -109283.6687 298.9589 25.6316 58.1386 759845.8414 8.5641 8.5752 PRESSURE: 1781000 262.961 222.823 11.8694 222.823 -86.5884 112.825 11.8698 112.824 121.587 GPRESSURE: 1781000 253.366 145.282 -59.9855 232.123 -9.29814 38.3309 94.5396 139.495 137.226 PRESSAVG: 1781000 14.9176 -28.8547 -16.3431 -28.8547 -21.2685 -3.77691 -16.343 -3.77693 7.04464 GPRESSAVG: 1781000 14.0631 -32.0435 -16.8746 -28.8821 -19.6558 -3.30069 -17.0703 -4.77795 6.79516 TIMING: 1781000 CPU: 5564.94, 0.00312251/step Wall: 5564.94, 0.00312251/step, 2.79205 hours remaining, 234.765625 MB of memory in use. ENERGY: 1781000 4049.5260 20529.3232 14510.3018 237.3946 -203588.3432 2874.3203 0.0000 0.0000 51896.5381 -109490.9392 298.2501 -161387.4773 -109127.3565 298.9476 99.3196 127.0980 760213.3934 0.2312 0.4008 PRESSURE: 1781200 -75.966 264.199 -193.719 264.198 -100.384 182.571 -193.719 182.57 122.287 GPRESSURE: 1781200 -8.88281 286.203 -161.196 21.1459 -95.6046 101.292 -190.114 290.822 125.399 PRESSAVG: 1781200 6.04205 19.1094 -23.3258 19.1094 -19.2198 -12.3184 -23.3258 -12.3184 9.17878 GPRESSAVG: 1781200 5.92119 19.9411 -22.7975 19.4771 -19.4545 -13.1104 -23.8905 -11.003 9.34099 TIMING: 1781200 CPU: 5565.56, 0.00311934/step Wall: 5565.56, 0.00311934/step, 2.78904 hours remaining, 234.765625 MB of memory in use. ENERGY: 1781200 4006.1040 20651.7210 14440.9170 244.1015 -203045.1130 2348.3578 0.0000 0.0000 51878.2561 -109475.6556 298.1451 -161353.9117 -109123.1955 298.4778 -18.0210 6.9706 761382.1509 -1.3330 -1.3974 PRESSURE: 1781400 -78.3336 -162.598 -80.5977 -162.599 187.174 -20.0024 -80.5978 -20.0034 104.652 GPRESSURE: 1781400 -37.0306 -142.296 -228.228 -170.16 240.359 26.1963 -45.5594 -7.0389 98.9665 PRESSAVG: 1781400 27.8006 1.58873 2.99656 1.58872 -31.7476 -81.6514 2.99669 -81.6513 0.366005 GPRESSAVG: 1781400 28.2093 2.39483 2.79509 2.05521 -31.9228 -81.7664 3.75982 -83.0747 0.725939 TIMING: 1781400 CPU: 5566.18, 0.00310576/step Wall: 5566.18, 0.00310576/step, 2.77673 hours remaining, 234.765625 MB of memory in use. ENERGY: 1781400 3997.0271 20539.1058 14409.4172 262.4721 -203003.2558 2462.5002 0.0000 0.0000 52120.4182 -109212.3152 299.5368 -161332.7333 -108850.2224 298.9916 71.1643 100.7650 760881.7931 -1.1937 -0.9959 PRESSURE: 1781600 -427.892 86.284 81.4514 86.2834 -82.7179 117.63 81.4519 117.63 -488.938 GPRESSURE: 1781600 -423.708 47.6792 74.6058 52.7771 -51.9437 20.541 102.127 129.927 -436.616 PRESSAVG: 1781600 -0.774858 26.1533 62.1301 26.1533 -14.7151 -8.03217 62.1302 -8.03218 -2.98527 GPRESSAVG: 1781600 -1.19433 26.43 62.3533 23.9471 -13.8271 -7.52772 61.3105 -7.47689 -3.22196 TIMING: 1781600 CPU: 5566.81, 0.00311862/step Wall: 5566.81, 0.00311862/step, 2.78805 hours remaining, 234.765625 MB of memory in use. ENERGY: 1781600 4084.8821 20604.4114 14443.4812 239.6634 -203349.3792 2459.5090 0.0000 0.0000 52063.3842 -109454.0479 299.2090 -161517.4322 -109092.5177 299.3803 -333.1825 -304.0890 762929.2516 -6.1584 -6.0811 PRESSURE: 1781800 306.739 -91.0147 249.154 -91.0146 -201.759 114.697 249.154 114.697 -86.899 GPRESSURE: 1781800 324.099 -103.065 318.346 -49.4179 -174.366 103.044 121.548 122.443 -56.8902 PRESSAVG: 1781800 53.28 -36.7433 6.51436 -36.7433 -37.7333 27.8822 6.51436 27.8822 30.427 GPRESSAVG: 1781800 54.7691 -37.1003 7.86858 -36.6399 -37.5094 28.749 5.24355 27.7131 29.2467 TIMING: 1781800 CPU: 5567.43, 0.00311387/step Wall: 5567.43, 0.00311387/step, 2.78363 hours remaining, 234.765625 MB of memory in use. ENERGY: 1781800 4091.4146 20535.8943 14446.6512 257.2400 -203223.9212 2773.2211 0.0000 0.0000 51729.6550 -109389.8451 297.2910 -161119.5001 -109028.0333 298.6407 6.0270 30.9475 764269.1818 15.3245 15.5021 PRESSURE: 1782000 256.29 25.4587 -48.0869 25.4586 54.3461 -100.06 -48.0863 -100.061 315.877 GPRESSURE: 1782000 287.327 -27.8723 -70.7817 21.3173 188.787 -68.3055 55.292 -172.508 253.69 PRESSAVG: 1782000 20.7137 -36.6303 -8.61594 -36.6303 11.9928 -10.3222 -8.61593 -10.3222 -9.36009 GPRESSAVG: 1782000 20.6392 -37.504 -11.0287 -34.0982 11.1405 -11.426 -6.42394 -7.61691 -8.19726 TIMING: 1782000 CPU: 5568.05, 0.00311683/step Wall: 5568.05, 0.00311683/step, 2.7861 hours remaining, 234.765625 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: 1782000 3952.7034 20672.0129 14447.2646 265.3295 -203611.0898 2918.7445 0.0000 0.0000 51931.2870 -109423.7479 298.4498 -161355.0349 -109066.0023 298.8435 208.8375 243.2682 761822.8439 7.7821 7.8608 PRESSURE: 1782200 127.903 49.2398 29.8032 49.2401 -46.9481 -49.3093 29.8035 -49.3093 -303.593 GPRESSURE: 1782200 104.173 10.26 23.5481 34.6533 -23.9868 19.6908 60.9451 -36.2777 -214.393 PRESSAVG: 1782200 77.6888 5.98913 21.9836 5.98912 -78.9253 -11.9902 21.9837 -11.9903 8.87034 GPRESSAVG: 1782200 77.5014 7.55681 24.0274 3.35152 -78.591 -9.45773 22.1666 -14.1359 8.84251 TIMING: 1782200 CPU: 5568.67, 0.00311033/step Wall: 5568.67, 0.00311033/step, 2.78011 hours remaining, 234.765625 MB of memory in use. ENERGY: 1782200 3968.8312 20559.4247 14486.1698 252.8434 -203640.4131 2633.3875 0.0000 0.0000 52119.5702 -109620.1864 299.5319 -161739.7567 -109249.6311 298.9651 -74.2125 -44.7358 759799.5948 2.5446 2.5843 PRESSURE: 1782400 -12.0087 -91.0005 -47.3283 -91.0005 345.939 147.076 -47.3284 147.076 53.7871 GPRESSURE: 1782400 118.681 -37.4468 66.6194 31.9084 315.811 13.9281 -18.9652 51.7555 44.3307 PRESSAVG: 1782400 43.1652 -3.68515 28.9668 -3.68513 -47.6427 4.37968 28.9668 4.37972 -6.76295 GPRESSAVG: 1782400 42.6186 -2.88695 28.3284 -2.39754 -47.1908 1.72016 26.8114 5.65177 -7.14322 TIMING: 1782400 CPU: 5569.29, 0.00309998/step Wall: 5569.29, 0.00309998/step, 2.77069 hours remaining, 234.765625 MB of memory in use. ENERGY: 1782400 3995.8211 20640.6037 14535.2299 250.4614 -203601.6335 2623.4624 0.0000 0.0000 51997.9421 -109558.1127 298.8329 -161556.0549 -109186.5023 298.7465 129.2391 159.6074 759817.9625 -3.7468 -3.9051 PRESSURE: 1782600 -209.629 37.537 -76.8185 37.5371 -58.7078 -98.5798 -76.8183 -98.5787 -219.847 GPRESSURE: 1782600 -124.417 -20.3638 -25.8787 5.79104 -50.2311 -41.7854 -9.88016 -94.3113 -251.56 PRESSAVG: 1782600 62.7584 24.9785 -19.5159 24.9784 -28.6071 45.1069 -19.5159 45.1068 43.7408 GPRESSAVG: 1782600 63.5647 23.7533 -18.3313 25.6143 -29.4167 45.2508 -18.3278 46.0159 43.4589 TIMING: 1782600 CPU: 5569.92, 0.00310906/step Wall: 5569.92, 0.00310906/step, 2.77864 hours remaining, 234.765625 MB of memory in use. ENERGY: 1782600 4036.2388 20521.9792 14453.9488 236.5759 -203512.3256 2604.8403 0.0000 0.0000 52016.6151 -109642.1276 298.9402 -161658.7427 -109284.4019 298.4236 -162.7281 -142.0694 760011.1563 25.9640 25.8690 PRESSURE: 1782800 -149.118 90.4927 59.5875 90.4929 116.667 -53.0565 59.5868 -53.0571 -65.8026 GPRESSURE: 1782800 -69.729 68.1298 35.3411 137.438 138.951 -1.22561 -59.442 -75.5292 -85.1351 PRESSAVG: 1782800 -23.7521 16.2386 -14.6827 16.2386 17.4042 -17.7732 -14.6826 -17.7732 8.06622 GPRESSAVG: 1782800 -25.5369 14.9437 -13.3721 16.8834 16.5307 -15.4829 -15.9155 -20.3332 10.0913 TIMING: 1782800 CPU: 5570.54, 0.00311638/step Wall: 5570.54, 0.00311638/step, 2.78501 hours remaining, 234.765625 MB of memory in use. ENERGY: 1782800 3915.9083 20551.3856 14456.7865 225.1796 -203464.8784 2613.1289 0.0000 0.0000 52070.9608 -109631.5288 299.2525 -161702.4896 -109256.6878 298.3256 -32.7513 -5.3045 760128.8092 0.5728 0.3617 PRESSURE: 1783000 170.81 209.157 -187.163 209.157 -187.093 361.043 -187.163 361.044 -19.012 GPRESSURE: 1783000 216.232 260.292 -175.553 155.446 -209.513 254.609 -250.621 346.611 49.0632 PRESSAVG: 1783000 -5.99076 23.2198 -40.7677 23.2198 -25.1546 5.43378 -40.7677 5.43371 -1.35128 GPRESSAVG: 1783000 -4.81502 26.7206 -42.564 20.2345 -23.8593 3.88288 -42.3181 8.76173 -3.3355 TIMING: 1783000 CPU: 5571.16, 0.00309816/step Wall: 5571.16, 0.00309816/step, 2.76855 hours remaining, 234.765625 MB of memory in use. ENERGY: 1783000 3994.8472 20502.3475 14424.2733 265.8751 -203307.2682 2506.2461 0.0000 0.0000 52046.4424 -109567.2365 299.1116 -161613.6789 -109202.1143 298.5650 -11.7650 18.5938 761838.4824 -10.8322 -10.6700 PRESSURE: 1783200 201.988 -311.111 11.6419 -311.112 122.207 -283.841 11.6419 -283.841 329.705 GPRESSURE: 1783200 257.819 -240.51 -28.4023 -400.726 153.2 -332.684 37.348 -197.404 331.64 PRESSAVG: 1783200 1.34011 6.52183 25.2135 6.52186 6.2342 -5.35182 25.2135 -5.35181 37.4126 GPRESSAVG: 1783200 1.30892 4.06173 25.2081 9.01883 5.87046 -4.83651 26.2906 -7.32807 37.683 TIMING: 1783200 CPU: 5571.78, 0.00309489/step Wall: 5571.78, 0.00309489/step, 2.76546 hours remaining, 234.765625 MB of memory in use. ENERGY: 1783200 4003.8788 20649.7108 14458.5848 254.6010 -203479.2636 2695.9019 0.0000 0.0000 51937.2398 -109479.3465 298.4840 -161416.5862 -109112.3784 298.4094 217.9667 247.5531 760687.2906 14.9956 14.9541 PRESSURE: 1783400 471.151 52.0617 84.447 52.0612 -0.976675 -115.2 84.4472 -115.199 1.01175 GPRESSURE: 1783400 453.635 -106.669 16.8069 33.7658 103.259 -130.388 81.064 -139.946 14.8135 PRESSAVG: 1783400 -2.3418 -19.9004 24.0609 -19.9003 19.6885 -2.00142 24.0609 -2.00134 -33.6783 GPRESSAVG: 1783400 -3.04967 -20.6355 20.8507 -21.67 20.2941 -1.95802 26.3872 -1.99975 -33.7442 TIMING: 1783400 CPU: 5572.4, 0.00309805/step Wall: 5572.4, 0.00309805/step, 2.76811 hours remaining, 234.765625 MB of memory in use. ENERGY: 1783400 3936.0002 20670.0719 14494.3698 243.6480 -203191.9706 2758.9831 0.0000 0.0000 51736.5136 -109352.3840 297.3305 -161088.8976 -108985.5657 298.9534 157.0620 190.5692 761519.8362 -5.4439 -5.4999 PRESSURE: 1783600 -175.806 -27.8001 -84.4126 -27.7999 -75.705 -111.469 -84.412 -111.468 -6.49611 GPRESSURE: 1783600 -98.9593 -45.8262 -137.645 -36.3207 -85.0816 -155.173 -68.3427 -109.341 19.8842 PRESSAVG: 1783600 2.22327 -22.1643 -63.3006 -22.1643 -67.5016 19.8788 -63.3006 19.8788 -8.9713 GPRESSAVG: 1783600 0.845926 -20.0859 -62.8677 -22.0666 -66.6924 19.4994 -63.6905 20.8213 -8.7422 TIMING: 1783600 CPU: 5573.02, 0.00309426/step Wall: 5573.02, 0.00309426/step, 2.76455 hours remaining, 234.765625 MB of memory in use. ENERGY: 1783600 3997.4460 20564.6345 14540.7516 245.1252 -203257.4045 2540.8604 0.0000 0.0000 52139.2336 -109229.3532 299.6449 -161368.5867 -108867.3029 299.5169 -86.0023 -54.7189 760662.2704 -24.7499 -24.8629 PRESSURE: 1783800 24.3126 51.4438 48.5151 51.4437 -359.47 -12.1211 48.5151 -12.1213 293.189 GPRESSURE: 1783800 46.1863 69.9045 118.764 36.9906 -324.59 12.2439 78.0036 -19.4753 343.544 PRESSAVG: 1783800 -18.4453 -35.8918 19.9065 -35.8918 15.1929 3.4807 19.9065 3.4807 1.62947 GPRESSAVG: 1783800 -16.185 -35.9224 22.6796 -37.8677 13.6216 4.21327 20.6225 3.13177 0.766695 TIMING: 1783800 CPU: 5573.64, 0.00310088/step Wall: 5573.64, 0.00310088/step, 2.77029 hours remaining, 234.765625 MB of memory in use. ENERGY: 1783800 4025.4017 20479.0554 14515.2880 230.9449 -203272.5253 2453.4815 0.0000 0.0000 52052.2053 -109516.1484 299.1447 -161568.3537 -109152.7532 298.8384 -13.9894 21.7133 760858.6502 -0.5410 -0.5989 PRESSURE: 1784000 -128.942 42.0792 20.7715 42.0791 -173.087 93.7598 20.7704 93.7593 -371.35 GPRESSURE: 1784000 -226.741 67.6963 41.1407 134.17 -59.6751 18.264 -14.307 129.335 -300.556 PRESSAVG: 1784000 18.1332 4.80947 -5.25414 4.80949 -13.1631 2.3666 -5.2541 2.36652 -16.0339 GPRESSAVG: 1784000 17.2824 4.29438 -7.27534 6.27173 -13.7297 4.16321 -5.57746 3.13746 -14.4343 TIMING: 1784000 CPU: 5574.26, 0.00311691/step Wall: 5574.26, 0.00311691/step, 2.78444 hours remaining, 234.765625 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: 1784000 4029.7696 20582.5856 14439.1814 221.5936 -203297.9408 2539.8078 0.0000 0.0000 51927.2043 -109557.7986 298.4264 -161485.0028 -109189.6491 298.8360 -224.4597 -195.6573 761145.2511 -3.6879 -3.6272 PRESSURE: 1784200 -101.15 -102.156 152.359 -102.156 153.451 -162.239 152.359 -162.238 -157.627 GPRESSURE: 1784200 -87.7382 31.7775 83.7176 -161.7 187.48 -143.654 93.6889 22.9785 -124.522 PRESSAVG: 1784200 -33.1688 31.8791 2.53772 31.8791 -22.0281 -11.4171 2.53769 -11.4171 -2.28361 GPRESSAVG: 1784200 -33.6452 31.2428 3.51987 33.495 -22.3473 -14.9072 1.20268 -10.5958 -1.78252 TIMING: 1784200 CPU: 5574.88, 0.00311057/step Wall: 5574.88, 0.00311057/step, 2.77861 hours remaining, 234.765625 MB of memory in use. ENERGY: 1784200 4039.4187 20568.8654 14386.3144 235.0574 -203526.5660 2656.7661 0.0000 0.0000 51943.2419 -109696.9021 298.5185 -161640.1440 -109326.4428 298.0604 -35.1089 -8.2598 761838.6181 -19.1601 -19.2584 LDB: ============= START OF LOAD BALANCING ============== 5587.36 LDB: ============== END OF LOAD BALANCING =============== 5587.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5587.36 LDB: ============= START OF LOAD BALANCING ============== 5587.67 LDB: Largest compute 6985 load 0.028946 is 14.8% of average load 0.195111 LDB: Average compute 0.004397 is 2.3% of average load 0.195111 LDB: TIME 5587.68 LOAD: AVG 0.195111 MAX 0.216747 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.281 MB LDB: TIME 5587.68 LOAD: AVG 0.195111 MAX 0.216747 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.281 MB LDB: TIME 5587.68 LOAD: AVG 0.195111 MAX 0.216747 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.281 MB LDB: ============== END OF LOAD BALANCING =============== 5587.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5587.68 PRESSURE: 1784400 87.4909 38.5753 13.0553 38.5746 -98.8481 -65.4629 13.0554 -65.4617 -571.306 GPRESSURE: 1784400 119.656 25.601 17.3798 -0.876487 -105.898 -61.8953 11.9161 -23.4163 -516.42 PRESSAVG: 1784400 19.2101 25.0163 36.1181 25.0163 14.7996 -23.2599 36.1181 -23.2599 1.00292 GPRESSAVG: 1784400 19.6366 26.7283 35.7736 24.6245 15.9565 -20.9809 34.9449 -27.0738 0.036716 TIMING: 1784400 CPU: 5575.52, 0.00317646/step Wall: 5575.52, 0.00317646/step, 2.83728 hours remaining, 233.781250 MB of memory in use. ENERGY: 1784400 4199.0904 20589.5620 14404.7414 255.6024 -203773.2623 3023.2284 0.0000 0.0000 51682.9007 -109618.1371 297.0223 -161301.0379 -109262.1131 298.3678 -194.2211 -167.5542 759695.2497 11.6709 11.8766 PRESSURE: 1784600 136.888 24.746 -167.69 24.7456 94.8345 -30.3322 -167.689 -30.3326 172.692 GPRESSURE: 1784600 229.249 136.02 -76.3133 97.724 42.6856 -29.0497 -164.454 -194.553 198.344 PRESSAVG: 1784600 12.2531 -8.59428 -14.3297 -8.59424 -35.8893 -40.0493 -14.3297 -40.0493 -7.32611 GPRESSAVG: 1784600 12.0023 -10.2604 -13.1245 -8.17041 -36.0097 -41.5967 -11.9467 -37.1263 -6.81534 TIMING: 1784600 CPU: 5576.14, 0.00310014/step Wall: 5576.14, 0.00310014/step, 2.76894 hours remaining, 233.781250 MB of memory in use. ENERGY: 1784600 4003.9410 20409.5953 14440.7755 255.4563 -203467.2039 2584.0631 0.0000 0.0000 52164.0851 -109609.2876 299.7877 -161773.3727 -109233.8983 298.6452 134.8048 156.7595 761459.5134 -10.3208 -10.2743 PRESSURE: 1784800 459.677 144.627 -22.4402 144.627 -363.082 -163.131 -22.4402 -163.132 -38.745 GPRESSURE: 1784800 334.294 210.618 -14.6809 106.033 -152.847 -197.19 65.6355 -132.621 -23.4974 PRESSAVG: 1784800 28.8888 13.6156 -23.6812 13.6155 -11.2851 12.4142 -23.6812 12.4141 4.01021 GPRESSAVG: 1784800 30.3229 13.1427 -25.5126 14.2019 -11.0366 12.7724 -25.8684 11.4151 3.42322 TIMING: 1784800 CPU: 5576.76, 0.00311629/step Wall: 5576.76, 0.00311629/step, 2.78319 hours remaining, 233.781250 MB of memory in use. ENERGY: 1784800 4052.9546 20524.8918 14447.8785 252.9482 -203380.3024 2683.6089 0.0000 0.0000 51808.0600 -109609.9603 297.7416 -161418.0203 -109247.0645 298.4733 19.2833 52.6501 762603.7587 7.2046 7.5698 PRESSURE: 1785000 268.184 -61.0687 -177.636 -61.0689 225.246 143.573 -177.635 143.572 223.897 GPRESSURE: 1785000 236.379 -20.8033 -141.515 -145.367 249.352 119.387 -197.963 208.681 310.537 PRESSAVG: 1785000 3.45704 -10.8303 -19.3574 -10.8303 -2.39279 -16.099 -19.3574 -16.0989 -7.83564 GPRESSAVG: 1785000 1.70697 -10.7377 -18.3994 -11.0563 -1.60077 -14.6443 -19.4192 -15.9637 -7.04908 TIMING: 1785000 CPU: 5577.38, 0.00308552/step Wall: 5577.38, 0.00308552/step, 2.75554 hours remaining, 233.781250 MB of memory in use. ENERGY: 1785000 3999.2386 20555.9934 14447.6099 242.0128 -203238.2409 2629.2613 0.0000 0.0000 51977.7465 -109386.3783 298.7168 -161364.1248 -109024.3419 298.9421 239.1087 265.4222 762046.8717 -2.2571 -2.3143 PRESSURE: 1785200 -8.13184 -92.4911 82.4047 -92.4911 -379.058 0.672872 82.4042 0.672766 276.556 GPRESSURE: 1785200 -0.619883 -121.993 101.088 93.7099 -281.481 -58.491 68.4814 -11.3222 249.626 PRESSAVG: 1785200 -57.3042 -3.79456 -27.4849 -3.79458 34.5515 -20.5902 -27.4849 -20.5903 -8.19606 GPRESSAVG: 1785200 -56.4974 -4.69589 -27.0589 -4.28461 32.9281 -21.2233 -26.1533 -20.5902 -7.78761 TIMING: 1785200 CPU: 5578, 0.00310993/step Wall: 5578, 0.00310993/step, 2.77717 hours remaining, 233.781250 MB of memory in use. ENERGY: 1785200 3973.6158 20422.5286 14471.7023 254.0623 -203227.6949 2578.8135 0.0000 0.0000 52117.6476 -109409.3249 299.5208 -161526.9725 -109051.0108 299.1061 -36.8779 -10.8249 762608.7262 -10.3162 -10.4523 PRESSURE: 1785400 -745.72 -59.6068 -114.972 -59.6068 -438.116 -25.5851 -114.972 -25.5866 -235.169 GPRESSURE: 1785400 -777.953 -72.2444 -66.99 24.2348 -380.126 -30.5226 -159.878 -21.9721 -163.903 PRESSAVG: 1785400 10.9759 4.8836 -32.4701 4.8836 10.2566 -62.9543 -32.4701 -62.9543 -1.56069 GPRESSAVG: 1785400 12.485 6.48618 -30.4173 4.01628 10.7842 -65.305 -35.3258 -62.2149 -3.48963 TIMING: 1785400 CPU: 5578.62, 0.00310895/step Wall: 5578.62, 0.00310895/step, 2.77612 hours remaining, 233.781250 MB of memory in use. ENERGY: 1785400 4064.8284 20545.3873 14478.7205 249.5093 -202960.7628 2307.4781 0.0000 0.0000 52184.5889 -109130.2503 299.9055 -161314.8392 -108785.9782 299.1314 -473.0015 -440.6604 761344.6367 6.5573 6.5932 PRESSURE: 1785600 -113.325 -100.286 -153.639 -100.286 -77.1214 15.6406 -153.639 15.6398 151.416 GPRESSURE: 1785600 -183.048 -145.3 -62.366 -176.293 108.741 73.3706 -67.9239 -183.79 123.951 PRESSAVG: 1785600 -27.4655 -22.032 10.9056 -22.0319 -20.0344 -9.94678 10.9056 -9.94685 -5.01723 GPRESSAVG: 1785600 -27.8268 -22.8881 8.93089 -22.5205 -20.6482 -7.69278 14.9223 -12.2106 -4.22784 TIMING: 1785600 CPU: 5579.24, 0.00308935/step Wall: 5579.24, 0.00308935/step, 2.75845 hours remaining, 233.781250 MB of memory in use. ENERGY: 1785600 4055.4263 20495.4662 14496.4284 244.2544 -203160.1333 2629.1030 0.0000 0.0000 52184.2942 -109055.1608 299.9039 -161239.4550 -108704.0653 299.4697 -13.0099 16.5483 760628.4249 -17.5057 -17.5676 PRESSURE: 1785800 -171.172 13.7406 72.8848 13.7407 84.8606 -148.959 72.8855 -148.958 103.656 GPRESSURE: 1785800 -29.0244 15.7917 108.022 19.9189 40.8238 -207.865 -34.2227 -61.5891 99.2144 PRESSAVG: 1785800 7.2012 -16.7609 -24.389 -16.7609 -4.6644 -10.8125 -24.389 -10.8124 -1.65128 GPRESSAVG: 1785800 6.25678 -16.9907 -23.0226 -17.4886 -2.62434 -10.0881 -25.8606 -9.73194 -2.01365 TIMING: 1785800 CPU: 5579.86, 0.00311079/step Wall: 5579.86, 0.00311079/step, 2.77742 hours remaining, 233.781250 MB of memory in use. ENERGY: 1785800 3984.8771 20515.2339 14498.5008 236.7846 -202995.2202 2626.2110 0.0000 0.0000 51953.9484 -109179.6644 298.5801 -161133.6127 -108815.2414 299.3699 5.7814 37.0046 761231.8800 0.2952 0.5396 PRESSURE: 1786000 55.9364 -69.4065 -141.768 -69.406 -97.7757 -151.158 -141.767 -151.158 -117.727 GPRESSURE: 1786000 12.9658 -28.0552 -69.7295 -61.6015 33.3035 -97.492 -56.5553 -52.3329 -117.343 PRESSAVG: 1786000 18.8034 4.83298 18.6437 4.83299 -8.61559 1.90928 18.6437 1.90929 21.3778 GPRESSAVG: 1786000 17.6008 5.48698 15.8254 6.17044 -8.77267 1.04286 18.0814 2.96569 22.5966 TIMING: 1786000 CPU: 5580.49, 0.00311613/step Wall: 5580.49, 0.00311613/step, 2.78201 hours remaining, 233.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1786000 3912.3842 20517.8619 14519.2615 253.4392 -203085.7577 2630.7306 0.0000 0.0000 52181.9943 -109070.0860 299.8906 -161252.0803 -108701.1885 298.7583 -53.1888 -23.6913 762350.3984 10.5219 10.4749 PRESSURE: 1786200 -19.0486 90.1243 -92.7913 90.1234 -209.468 61.532 -92.7913 61.5308 188.482 GPRESSURE: 1786200 94.0051 195.302 26.5328 -5.68708 -219.55 -37.0618 -80.707 106.786 186.328 PRESSAVG: 1786200 21.2565 14.9001 -32.1586 14.9001 -10.5464 56.6881 -32.1586 56.6881 12.7371 GPRESSAVG: 1786200 21.7258 13.7098 -31.6053 14.2165 -10.9405 57.3364 -28.9971 56.4341 12.3717 TIMING: 1786200 CPU: 5581.11, 0.00310951/step Wall: 5581.11, 0.00310951/step, 2.77593 hours remaining, 233.781250 MB of memory in use. ENERGY: 1786200 4027.0399 20534.2860 14512.6328 233.4796 -202773.9439 2481.8874 0.0000 0.0000 51925.7399 -109058.8784 298.4179 -160984.6183 -108701.5783 299.1961 -13.3448 20.2613 760784.2666 7.8157 7.7190 PRESSURE: 1786400 -406.607 -214.393 205.213 -214.393 -420.075 -38.0091 205.212 -38.0107 -292.62 GPRESSURE: 1786400 -314.266 -93.1135 135.693 -211.403 -393.309 -16.3352 129.443 51.0891 -327.687 PRESSAVG: 1786400 5.6239 3.87334 19.4188 3.87335 -3.39624 6.77794 19.4188 6.77804 21.7058 GPRESSAVG: 1786400 6.4683 5.45076 20.4272 6.22047 -3.8125 5.66455 17.9189 7.49104 21.5951 TIMING: 1786400 CPU: 5581.73, 0.00310563/step Wall: 5581.73, 0.00310563/step, 2.77229 hours remaining, 233.781250 MB of memory in use. ENERGY: 1786400 3976.6412 20512.5520 14506.7000 249.1405 -202646.5626 2259.2492 0.0000 0.0000 52135.3884 -109006.8912 299.6228 -161142.2797 -108631.0455 299.3178 -373.1005 -345.0873 761706.8521 7.9778 8.0836 PRESSURE: 1786600 847.934 21.4835 89.1916 21.4832 -176.335 229.952 89.1916 229.952 294.197 GPRESSURE: 1786600 784.078 128.25 127.016 -40.9492 -5.21257 246.184 -6.16539 187.421 264.469 PRESSAVG: 1786600 -16.2929 49.8733 50.6031 49.8733 4.9318 -4.41425 50.6031 -4.41423 -13.2764 GPRESSAVG: 1786600 -17.4984 48.497 52.1921 48.1106 4.23596 -3.98256 50.105 -5.04533 -11.6892 TIMING: 1786600 CPU: 5582.35, 0.00309846/step Wall: 5582.35, 0.00309846/step, 2.76572 hours remaining, 233.781250 MB of memory in use. ENERGY: 1786600 4045.9500 20536.3242 14384.4265 239.6600 -202963.3965 2979.5057 0.0000 0.0000 52057.6017 -108719.9285 299.1758 -160777.5301 -108359.0011 299.3942 321.9319 347.7783 761617.2114 -8.2125 -8.3172 PRESSURE: 1786800 -240.065 178.301 47.7848 178.301 2.64605 -7.65753 47.7849 -7.65731 -248.697 GPRESSURE: 1786800 -214.075 69.5867 -41.6899 151.787 75.3995 -72.5145 24.4494 53.4875 -230.474 PRESSAVG: 1786800 17.9756 16.207 2.3884 16.207 -27.6998 11.1256 2.38835 11.1256 29.8736 GPRESSAVG: 1786800 19.4207 17.2099 1.12867 16.4822 -25.9857 11.1378 0.741288 11.6132 26.9992 TIMING: 1786800 CPU: 5582.97, 0.00309878/step Wall: 5582.97, 0.00309878/step, 2.76583 hours remaining, 233.781250 MB of memory in use. ENERGY: 1786800 3992.8857 20509.3577 14487.6979 236.5582 -202701.6741 2467.4050 0.0000 0.0000 52375.5618 -108632.2080 301.0031 -161007.7697 -108272.3940 300.0697 -162.0389 -123.0496 760505.6465 6.7165 6.8114 PRESSURE: 1787000 -237.591 104.297 -240.316 104.297 -324.9 -88.1499 -240.317 -88.1498 -883.776 GPRESSURE: 1787000 -302.523 173.083 -191.746 188.298 -220.878 -24.5397 -105.751 -156.514 -825.344 PRESSAVG: 1787000 -2.1497 7.09217 -8.28239 7.09217 -18.8298 31.0736 -8.2824 31.0736 -7.87628 GPRESSAVG: 1787000 -3.31038 6.73784 -9.15708 5.56157 -18.3213 30.5087 -6.73302 29.267 -7.14612 TIMING: 1787000 CPU: 5583.59, 0.00310383/step Wall: 5583.59, 0.00310383/step, 2.77017 hours remaining, 233.781250 MB of memory in use. ENERGY: 1787000 3965.9160 20514.0788 14476.3088 239.5363 -202663.3070 2346.1340 0.0000 0.0000 52147.9904 -108973.3428 299.6952 -161121.3332 -108612.0666 299.9801 -482.0890 -449.5816 763439.2592 -9.6186 -9.5926 PRESSURE: 1787200 -328.844 42.1319 261.909 42.1328 -368.422 26.4285 261.909 26.4287 -37.1582 GPRESSURE: 1787200 -236.968 136.046 235.398 71.1747 -339.975 -7.32877 93.6518 20.3034 -75.4209 PRESSAVG: 1787200 71.7196 -25.1641 -2.83183 -25.1641 -2.30319 -12.5892 -2.83178 -12.5892 9.53088 GPRESSAVG: 1787200 73.3042 -24.8149 -1.49956 -24.0389 -4.31873 -11.7519 -6.06305 -10.7689 9.76905 TIMING: 1787200 CPU: 5584.21, 0.00312288/step Wall: 5584.21, 0.00312288/step, 2.78699 hours remaining, 233.781250 MB of memory in use. ENERGY: 1787200 3935.1431 20492.7930 14371.1531 249.8026 -203048.3003 2557.0279 0.0000 0.0000 52264.2517 -109178.1288 300.3634 -161442.3806 -108808.5419 299.5614 -244.8081 -217.4549 761903.1320 26.3158 26.2515 PRESSURE: 1787400 -488.213 30.6422 -204.698 30.6424 -152.323 20.606 -204.698 20.6072 3.69147 GPRESSURE: 1787400 -442.426 -152.877 -193.211 141.171 -148.088 32.8414 -162.403 -151.021 45.6728 PRESSAVG: 1787400 -15.4652 35.9864 -42.7031 35.9864 -32.7348 -20.6677 -42.7031 -20.6677 5.64182 GPRESSAVG: 1787400 -16.3775 34.7522 -42.331 35.1279 -32.2412 -20.5958 -39.5434 -21.3966 5.78939 TIMING: 1787400 CPU: 5584.83, 0.00310931/step Wall: 5584.83, 0.00310931/step, 2.77472 hours remaining, 233.781250 MB of memory in use. ENERGY: 1787400 3977.2058 20593.0136 14463.6655 250.7160 -202953.0630 2391.3153 0.0000 0.0000 52098.1022 -109179.0446 299.4085 -161277.1468 -108827.2080 299.4415 -212.2814 -181.6140 762583.8019 -14.1861 -14.2764 PRESSURE: 1787600 -72.0179 -171.609 199.684 -171.609 60.9942 -406.648 199.683 -406.648 260.856 GPRESSURE: 1787600 -51.3999 -149.018 187.543 -195.64 139.054 -328.886 80.5249 -365.996 230.591 PRESSAVG: 1787600 -73.2454 -9.33658 -3.78946 -9.33664 67.6026 -32.8051 -3.78952 -32.8052 -8.10953 GPRESSAVG: 1787600 -73.7002 -8.72024 -4.41065 -7.439 69.1533 -33.3446 -4.77552 -33.7707 -9.00646 TIMING: 1787600 CPU: 5585.46, 0.00310358/step Wall: 5585.46, 0.00310358/step, 2.76943 hours remaining, 233.781250 MB of memory in use. ENERGY: 1787600 4017.7901 20547.5197 14449.6329 236.8069 -203310.6942 2659.0259 0.0000 0.0000 51907.5509 -109492.3678 298.3134 -161399.9187 -109127.6848 299.4063 83.2775 106.0815 760526.8407 -4.5841 -4.5178 PRESSURE: 1787800 24.1168 -8.1613 -53.1266 -8.1619 -137.522 -356.436 -53.1256 -356.436 -158.182 GPRESSURE: 1787800 95.004 -29.53 -109.423 -166.711 -192.933 -461.466 83.6501 -81.5562 -109.052 PRESSAVG: 1787800 -36.6205 20.7851 24.3117 20.785 72.3339 -22.2403 24.3118 -22.2403 -12.8975 GPRESSAVG: 1787800 -36.1887 21.0297 23.7898 18.0388 71.7194 -23.318 24.4918 -19.4109 -12.3844 TIMING: 1787800 CPU: 5586.08, 0.00310889/step Wall: 5586.08, 0.00310889/step, 2.77399 hours remaining, 233.781250 MB of memory in use. ENERGY: 1787800 4067.5643 20550.3160 14496.1469 240.2584 -203233.3376 2585.6518 0.0000 0.0000 51834.8544 -109458.5456 297.8956 -161293.4000 -109094.9331 299.0030 -90.5289 -68.9935 763230.3709 7.6053 7.7154 PRESSURE: 1788000 -51.4016 15.9386 -195.003 15.9384 58.2946 88.2354 -195.002 88.2351 -238.76 GPRESSURE: 1788000 14.7734 -36.5757 -134.407 -13.403 36.1843 141.517 -176.476 67.58 -211.238 PRESSAVG: 1788000 6.4506 2.48349 12.5803 2.48342 5.64541 -28.3516 12.5803 -28.3516 9.88712 GPRESSAVG: 1788000 7.75457 0.67463 12.5671 4.24079 4.75192 -26.1112 14.1404 -29.2941 9.52262 TIMING: 1788000 CPU: 5586.7, 0.00310641/step Wall: 5586.7, 0.00310641/step, 2.77161 hours remaining, 233.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1788000 3998.6803 20692.7453 14463.1011 262.9895 -203535.0969 2897.4865 0.0000 0.0000 51913.6370 -109306.4571 298.3484 -161220.0941 -108945.9124 299.1068 -77.2890 -53.4267 761447.4696 7.3277 7.3430 PRESSURE: 1788200 -355.23 -232.677 81.3831 -232.677 9.42902 -231.904 81.3829 -231.905 -423.944 GPRESSURE: 1788200 -300.83 -195.629 -6.50385 -98.5452 72.1799 -161.016 -1.79908 -375.988 -454.057 PRESSAVG: 1788200 -6.75534 -37.0813 -5.91948 -37.0813 29.8373 -43.4772 -5.91948 -43.4771 -18.7355 GPRESSAVG: 1788200 -6.7369 -35.9073 -4.51533 -36.8848 32.0083 -44.5558 -7.93985 -44.6134 -20.2308 TIMING: 1788200 CPU: 5587.32, 0.00310315/step Wall: 5587.32, 0.00310315/step, 2.76853 hours remaining, 233.781250 MB of memory in use. ENERGY: 1788200 4017.4617 20430.8748 14446.5018 232.2513 -203527.8654 2690.3907 0.0000 0.0000 52165.8952 -109544.4900 299.7981 -161710.3852 -109184.1212 299.0750 -256.5817 -227.5689 761562.0939 1.4488 1.6802 LDB: ============= START OF LOAD BALANCING ============== 5599.79 LDB: ============== END OF LOAD BALANCING =============== 5599.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5599.8 LDB: ============= START OF LOAD BALANCING ============== 5600.11 LDB: Largest compute 6985 load 0.030186 is 15.5% of average load 0.195074 LDB: Average compute 0.004420 is 2.3% of average load 0.195074 LDB: TIME 5600.11 LOAD: AVG 0.195074 MAX 0.211874 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.781 MB LDB: TIME 5600.11 LOAD: AVG 0.195074 MAX 0.211874 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.984 MB LDB: TIME 5600.11 LOAD: AVG 0.195074 MAX 0.211874 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.984 MB LDB: ============== END OF LOAD BALANCING =============== 5600.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5600.12 PRESSURE: 1788400 -44.5506 103.531 207.421 103.531 -199.731 194.483 207.421 194.483 -370.812 GPRESSURE: 1788400 -44.5462 68.0302 83.6945 50.1876 -171.165 203.393 260.368 143.964 -321.355 PRESSAVG: 1788400 -2.4876 -48.7183 -4.18566 -48.7184 0.523957 -43.9308 -4.18567 -43.9308 -1.40054 GPRESSAVG: 1788400 -2.89898 -47.874 -5.53674 -49.6392 -0.687539 -45.2311 -1.77137 -45.077 0.474421 TIMING: 1788400 CPU: 5587.95, 0.00316439/step Wall: 5587.95, 0.00316438/step, 2.82298 hours remaining, 235.339844 MB of memory in use. ENERGY: 1788400 4057.6319 20534.6801 14421.9032 256.3764 -203534.1525 3028.6518 0.0000 0.0000 51860.8124 -109374.0966 298.0448 -161234.9090 -109020.8495 298.6097 -205.0311 -179.0222 762127.8224 -1.1214 -1.0374 PRESSURE: 1788600 80.632 -41.8789 21.9648 -41.8796 -263.188 155.776 21.9639 155.776 -15.6021 GPRESSURE: 1788600 56.1288 -49.4467 24.8638 9.76479 -209.496 158.03 -1.83918 196.658 32.3241 PRESSAVG: 1788600 -53.9857 -39.744 15.0752 -39.7439 50.7212 -3.06674 15.0751 -3.06673 -11.3889 GPRESSAVG: 1788600 -54.0663 -40.7063 16.1123 -38.427 49.9295 -2.02924 14.3928 0.768834 -10.79 TIMING: 1788600 CPU: 5588.57, 0.0030986/step Wall: 5588.57, 0.0030986/step, 2.76412 hours remaining, 235.339844 MB of memory in use. ENERGY: 1788600 3995.4949 20547.6292 14399.5150 252.7463 -203185.4330 2622.7663 0.0000 0.0000 52016.7132 -109350.5681 298.9408 -161367.2813 -108989.4742 299.2794 -66.0528 -40.3476 761935.2739 -4.8845 -4.9756 PRESSURE: 1788800 356.017 40.7925 -105.982 40.793 132.421 -118.439 -105.983 -118.438 -276.212 GPRESSURE: 1788800 417.112 16.9496 -123.865 130.072 124.897 -59.3943 -91.2644 -166.767 -259.372 PRESSAVG: 1788800 50.6739 -7.20986 32.4735 -7.20983 -2.42956 -34.4048 32.4736 -34.4049 17.3602 GPRESSAVG: 1788800 50.3194 -5.45877 32.0242 -6.08433 -1.20329 -34.7978 31.0595 -35.9161 16.3278 TIMING: 1788800 CPU: 5589.19, 0.00310706/step Wall: 5589.19, 0.00310706/step, 2.77149 hours remaining, 235.339844 MB of memory in use. ENERGY: 1788800 4017.3315 20567.5884 14392.2452 261.1649 -202884.6541 2349.0021 0.0000 0.0000 52184.0972 -109113.2249 299.9027 -161297.3221 -108749.9782 299.4662 70.7422 94.2124 760276.8808 21.8682 21.8147 PRESSURE: 1789000 330.678 101.182 263.378 101.182 -134.045 -116.999 263.378 -116.998 -94.7599 GPRESSURE: 1789000 320.538 101.15 293.002 -23.7016 -59.7813 -170.549 178.933 -138.854 -53.9688 PRESSAVG: 1789000 -29.5118 18.4299 -31.0791 18.4299 4.44729 9.29714 -31.0791 9.29725 -3.09822 GPRESSAVG: 1789000 -29.2827 17.9996 -31.1179 16.6032 4.36737 10.455 -30.5759 6.74434 -2.86225 TIMING: 1789000 CPU: 5589.81, 0.00309915/step Wall: 5589.81, 0.00309915/step, 2.76427 hours remaining, 235.339844 MB of memory in use. ENERGY: 1789000 3983.2091 20485.0062 14530.0609 258.9956 -202809.7642 2620.7817 0.0000 0.0000 52009.1313 -108922.5793 298.8972 -160931.7107 -108555.5138 299.8954 33.9578 68.9293 760393.2897 -9.3876 -9.2592 PRESSURE: 1789200 -69.8186 -215.551 239.825 -215.552 -12.7573 -94.0427 239.825 -94.043 -154.989 GPRESSURE: 1789200 11.6847 -282.214 243.739 -136.554 -29.8574 -113.076 296.596 3.63762 -126.184 PRESSAVG: 1789200 17.8916 -72.7363 51.0355 -72.7363 8.10156 31.3262 51.0354 31.3262 7.41973 GPRESSAVG: 1789200 18.1692 -72.9856 49.4042 -71.9439 6.84781 31.8399 53.0847 33.3539 7.88442 TIMING: 1789200 CPU: 5590.44, 0.00311422/step Wall: 5590.44, 0.00311422/step, 2.77754 hours remaining, 235.339844 MB of memory in use. ENERGY: 1789200 4030.1643 20555.0112 14424.6374 248.7644 -203056.7992 2611.3854 0.0000 0.0000 52346.5975 -108840.2390 300.8366 -161186.8365 -108471.9420 299.8905 -79.1883 -48.1188 762906.6277 11.1376 10.9672 PRESSURE: 1789400 -299.301 -77.5134 -130.122 -77.5127 -386.263 152.694 -130.122 152.695 -163.712 GPRESSURE: 1789400 -139.496 -50.4986 -25.5873 -60.1712 -373.043 111.37 -96.1746 144.064 -270.847 PRESSAVG: 1789400 -45.8586 -42.0755 49.8828 -42.0755 49.4706 -19.3169 49.8827 -19.317 -13.0156 GPRESSAVG: 1789400 -44.8855 -42.9541 52.0469 -44.5657 48.7336 -19.2773 48.5841 -19.5204 -13.2621 TIMING: 1789400 CPU: 5591.06, 0.00310602/step Wall: 5591.06, 0.00310602/step, 2.77005 hours remaining, 235.339844 MB of memory in use. ENERGY: 1789400 4049.6278 20517.8719 14389.0554 258.5358 -202793.1318 2601.3692 0.0000 0.0000 52017.9676 -108958.7041 298.9480 -160976.6716 -108590.2560 299.4398 -283.0920 -261.1288 764703.2920 -3.1346 -3.1380 PRESSURE: 1789600 25.8167 -53.0343 -178.812 -53.0352 133.082 90.0206 -178.812 90.0198 -51.1158 GPRESSURE: 1789600 -12.8123 -133.337 -151.011 -10.9726 97.4727 128.636 -195.257 10.197 96.6353 PRESSAVG: 1789600 -28.5197 -56.1802 -27.4125 -56.1802 -3.945 5.1061 -27.4125 5.10612 -11.4129 GPRESSAVG: 1789600 -28.3231 -57.6527 -29.0409 -52.5985 -3.98067 2.86984 -28.1064 5.72423 -11.7118 TIMING: 1789600 CPU: 5591.68, 0.0031021/step Wall: 5591.68, 0.0031021/step, 2.76638 hours remaining, 235.339844 MB of memory in use. ENERGY: 1789600 4007.9180 20578.5835 14481.5235 252.5992 -203050.6579 2726.6917 0.0000 0.0000 52059.9718 -108943.3701 299.1894 -161003.3420 -108587.3663 299.1450 35.9277 60.4319 763158.8937 -14.6259 -14.6718 PRESSURE: 1789800 -344.182 -12.6901 123.367 -12.6902 -349.369 95.4647 123.366 95.4635 -514.839 GPRESSURE: 1789800 -273.324 -55.0228 -1.5467 6.25212 -303.906 145.819 141.208 178.812 -537.275 PRESSAVG: 1789800 48.0388 -20.8972 -13.4994 -20.8972 -55.1897 27.7277 -13.4994 27.7277 -10.9196 GPRESSAVG: 1789800 47.3457 -19.8185 -12.4039 -22.801 -53.346 30.6111 -12.8654 28.8682 -11.6929 TIMING: 1789800 CPU: 5592.3, 0.00310181/step Wall: 5592.3, 0.00310181/step, 2.76595 hours remaining, 235.339844 MB of memory in use. ENERGY: 1789800 4052.7141 20591.5493 14380.6405 244.0768 -203046.6951 2648.0904 0.0000 0.0000 52174.4790 -108955.1451 299.8474 -161129.6241 -108589.7096 299.3612 -402.7965 -371.5017 763496.4981 -6.0235 -5.8977 PRESSURE: 1790000 184.179 89.2827 45.7947 89.2832 -133.553 -30.2175 45.7953 -30.2168 204.57 GPRESSURE: 1790000 136.371 -83.919 35.3531 57.277 24.8476 -18.6102 17.8943 -133.451 205.854 PRESSAVG: 1790000 40.7313 -44.2301 29.4819 -44.2301 -44.2897 -17.1226 29.482 -17.1227 -2.44217 GPRESSAVG: 1790000 39.8539 -45.6699 29.2674 -44.0533 -44.5273 -18.4774 28.8819 -19.5136 -1.58583 TIMING: 1790000 CPU: 5592.92, 0.0030966/step Wall: 5592.92, 0.0030966/step, 2.76114 hours remaining, 235.339844 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: 1790000 3891.7014 20367.4900 14520.0563 252.5955 -203413.8353 2942.3421 0.0000 0.0000 52337.4038 -109102.2462 300.7838 -161439.6500 -108733.6284 299.1821 85.0652 122.3574 761116.7643 -2.0002 -2.0864 PRESSURE: 1790200 284.59 34.6864 -165.611 34.6866 73.5119 -180.45 -165.612 -180.45 290.43 GPRESSURE: 1790200 293.957 -5.35641 -59.3947 55.3682 58.978 -89.8202 -82.1309 -242.614 388.689 PRESSAVG: 1790200 -10.9179 -2.58575 -15.6344 -2.58578 21.5733 -26.4845 -15.6344 -26.4845 27.3169 GPRESSAVG: 1790200 -10.2898 -0.451245 -15.328 -4.32786 21.6287 -26.925 -16.3797 -25.3138 26.9699 TIMING: 1790200 CPU: 5593.54, 0.00310241/step Wall: 5593.54, 0.0031024/step, 2.76614 hours remaining, 235.339844 MB of memory in use. ENERGY: 1790200 3866.2962 20309.1183 14640.5521 285.0868 -203552.1074 3027.6612 0.0000 0.0000 52161.5556 -109261.8373 299.7732 -161423.3929 -108898.0882 299.0198 216.1774 247.2079 763269.6307 12.6574 12.7696 PRESSURE: 1790400 -162.489 -171.131 2.19709 -171.132 -375.966 114.843 2.19694 114.843 -84 GPRESSURE: 1790400 -145.713 -81.2202 19.2077 -56.7633 -266.829 41.915 99.6254 134.917 -132.71 PRESSAVG: 1790400 28.1015 -39.5859 2.26985 -39.5859 -38.6183 -50.2625 2.26988 -50.2625 -9.26035 GPRESSAVG: 1790400 27.5717 -39.3101 1.91483 -37.3418 -38.9272 -50.5689 2.77221 -51.1644 -8.89596 TIMING: 1790400 CPU: 5594.16, 0.00311693/step Wall: 5594.16, 0.00311694/step, 2.77892 hours remaining, 235.339844 MB of memory in use. ENERGY: 1790400 4021.5991 20476.0323 14481.1862 252.5418 -202898.1901 2455.8533 0.0000 0.0000 52097.0107 -109113.9666 299.4022 -161210.9773 -108747.6446 299.2273 -207.4849 -181.7508 761261.1343 -6.5924 -6.7505 PRESSURE: 1790600 207.23 -68.3635 15.8169 -68.3623 72.543 130.781 15.8166 130.781 296.102 GPRESSURE: 1790600 302.326 -55.9042 -16.8554 -178.176 165.789 137.436 -64.5938 -60.4443 196.343 PRESSAVG: 1790600 -20.5717 -69.7162 -54.5764 -69.7162 -20.2058 0.55474 -54.5764 0.554694 -2.11703 GPRESSAVG: 1790600 -20.1668 -69.4262 -54.5547 -69.8894 -20.3719 1.00128 -54.7016 0.107553 -2.14833 TIMING: 1790600 CPU: 5594.78, 0.00311151/step Wall: 5594.78, 0.00311151/step, 2.77391 hours remaining, 235.339844 MB of memory in use. ENERGY: 1790600 3956.5845 20372.2125 14483.7829 251.6775 -202834.1503 2553.8296 0.0000 0.0000 52114.2835 -109101.7798 299.5015 -161216.0633 -108721.1424 299.4964 191.9582 221.4859 762631.9205 -14.2982 -14.2290 PRESSURE: 1790800 75.2651 -21.1837 290.938 -21.1833 144.24 -91.6048 290.938 -91.6047 105.626 GPRESSURE: 1790800 125.502 23.4981 315.143 -182.802 220.656 -66.9036 283.554 20.4477 82.1977 PRESSAVG: 1790800 0.240746 -67.8124 -55.8776 -67.8124 2.27301 17.1317 -55.8776 17.1317 18.7223 GPRESSAVG: 1790800 0.82008 -69.048 -55.1752 -68.6681 1.12844 17.2321 -57.9113 15.9986 19.0865 TIMING: 1790800 CPU: 5595.41, 0.00311487/step Wall: 5595.41, 0.00311487/step, 2.77673 hours remaining, 235.339844 MB of memory in use. ENERGY: 1790800 3912.1323 20545.7716 14478.5897 243.0107 -202989.7497 2647.4963 0.0000 0.0000 51901.1978 -109261.5513 298.2769 -161162.7491 -108909.0317 299.1552 108.3773 142.7854 761182.6934 7.0787 7.0117 PRESSURE: 1791000 -336.3 298.397 37.6245 298.396 154.433 114.387 37.6251 114.387 -118.708 GPRESSURE: 1791000 -227.862 221.938 -27.8658 232.213 127.631 67.6409 153.647 138.362 -112.654 PRESSAVG: 1791000 -4.22522 -42.058 -22.6804 -42.058 14.2629 -31.8513 -22.6805 -31.8512 -4.85934 GPRESSAVG: 1791000 -3.47741 -41.7571 -23.4608 -42.0156 14.3232 -30.5221 -19.9286 -30.4297 -6.17153 TIMING: 1791000 CPU: 5596.03, 0.00313472/step Wall: 5596.03, 0.00313472/step, 2.79426 hours remaining, 235.339844 MB of memory in use. ENERGY: 1791000 3998.2183 20534.3878 14381.1262 238.5592 -203230.0688 2594.9196 0.0000 0.0000 52183.9397 -109298.9179 299.9018 -161482.8576 -108935.3430 299.1757 -100.1921 -70.9618 762501.7472 1.7261 1.5581 PRESSURE: 1791200 331.384 -118.615 375.206 -118.615 147.739 92.1314 375.206 92.1314 416.556 GPRESSURE: 1791200 368.788 -60.8844 345.074 -33.7428 250.102 131.698 197.105 100.442 351.009 PRESSAVG: 1791200 -10.5596 -35.0015 1.80803 -35.0015 3.6836 -4.33901 1.80809 -4.33893 -22.3226 GPRESSAVG: 1791200 -12.0371 -34.2382 2.19878 -33.8512 3.50909 -6.04187 1.04731 -2.36098 -21.2481 TIMING: 1791200 CPU: 5596.65, 0.00310722/step Wall: 5596.65, 0.00310722/step, 2.76957 hours remaining, 235.339844 MB of memory in use. ENERGY: 1791200 4001.0755 20566.4897 14398.2170 231.6905 -203439.6962 2678.5028 0.0000 0.0000 52090.3060 -109473.4146 299.3637 -161563.7206 -109117.0814 298.9697 298.5596 323.2994 760055.4096 -9.7329 -9.9254 PRESSURE: 1791400 -184.979 235.99 -307.537 235.99 39.0021 114.957 -307.537 114.956 -139.161 GPRESSURE: 1791400 -191.004 274.709 -409.027 242.75 52.5334 75.8186 -121.921 139.363 -60.0579 PRESSAVG: 1791400 -26.6704 -13.8857 -28.4141 -13.8857 23.8387 45.3282 -28.4142 45.3283 -12.6255 GPRESSAVG: 1791400 -25.7346 -14.32 -28.138 -15.6399 23.4519 45.9987 -28.5524 41.8235 -13.3486 TIMING: 1791400 CPU: 5597.28, 0.00311749/step Wall: 5597.28, 0.00311749/step, 2.77855 hours remaining, 235.339844 MB of memory in use. ENERGY: 1791400 4051.2893 20579.3363 14410.3102 268.9920 -203192.8662 2616.2571 0.0000 0.0000 51710.1827 -109556.4985 297.1791 -161266.6812 -109197.6063 298.5350 -95.0460 -66.1761 761170.9404 -5.1524 -5.2104 PRESSURE: 1791600 90.9631 -117.797 -61.0836 -117.797 -134.871 -171.103 -61.0835 -171.101 -264.564 GPRESSURE: 1791600 106.091 -106.964 -24.167 -53.9889 -114.813 -193.589 -102.664 40.0562 -236.286 PRESSAVG: 1791600 44.7079 -13.2213 -30.4486 -13.2212 16.6538 24.6891 -30.4486 24.6891 8.49589 GPRESSAVG: 1791600 42.9562 -15.7655 -30.8712 -11.8145 16.0579 26.0047 -26.9751 26.7632 10.6859 TIMING: 1791600 CPU: 5597.9, 0.00313385/step Wall: 5597.9, 0.00313385/step, 2.79296 hours remaining, 235.339844 MB of memory in use. ENERGY: 1791600 3970.1863 20568.4414 14424.0052 244.0785 -203688.7649 2881.1174 0.0000 0.0000 52427.2963 -109173.6397 301.3004 -161600.9360 -108807.4786 299.2925 -102.8239 -81.6693 760482.4963 23.2859 23.2333 PRESSURE: 1791800 251.037 0.615891 -41.8277 0.61627 283.463 212.813 -41.8268 212.814 33.608 GPRESSURE: 1791800 292.991 -31.1151 -47.6452 -28.9145 302.564 205.273 -19.9599 153.218 48.2921 PRESSAVG: 1791800 10.5676 -37.4251 3.75574 -37.4252 21.5416 35.859 3.75565 35.8589 14.832 GPRESSAVG: 1791800 9.58984 -34.8009 5.36505 -38.5169 23.1661 34.2299 0.451703 33.7176 13.4988 TIMING: 1791800 CPU: 5598.53, 0.00313243/step Wall: 5598.53, 0.00313243/step, 2.79152 hours remaining, 235.339844 MB of memory in use. ENERGY: 1791800 3960.5936 20485.2454 14528.2956 259.6010 -203696.8444 2903.9758 0.0000 0.0000 52359.8888 -109199.2444 300.9130 -161559.1331 -108823.4206 299.7893 189.3693 214.6157 760693.2151 15.6471 15.4183 PRESSURE: 1792000 -107.976 87.8484 -311.952 87.8484 283.644 159.211 -311.953 159.211 -558.582 GPRESSURE: 1792000 -54.4992 133.37 -294.875 45.2129 200.386 62.8318 -195.489 198.866 -451.183 PRESSAVG: 1792000 -44.1045 -14.8995 25.3678 -14.8995 12.5484 17.7698 25.3678 17.7699 -14.6182 GPRESSAVG: 1792000 -42.7168 -15.5316 24.5165 -13.7377 11.7673 18.2185 28.631 19.4984 -15.0682 TIMING: 1792000 CPU: 5599.16, 0.00312639/step Wall: 5599.16, 0.00312639/step, 2.78596 hours remaining, 235.339844 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: 1792000 4027.8834 20443.0994 14496.3525 253.6020 -203301.0435 2752.6925 0.0000 0.0000 52229.0814 -109098.3323 300.1612 -161327.4137 -108734.9864 299.1332 -127.6380 -101.7656 762161.6939 -15.3914 -15.3392 PRESSURE: 1792200 210.12 -166.629 61.5934 -166.63 -286.447 -154.107 61.5937 -154.106 21.6393 GPRESSURE: 1792200 122.768 -107.155 92.9198 -249.361 -138.896 -164.457 40.3709 -112.909 65.6347 PRESSAVG: 1792200 -77.0103 -48.2229 18.9043 -48.2229 61.6137 26.7346 18.9042 26.7346 -0.540984 GPRESSAVG: 1792200 -77.2033 -50.1673 19.9784 -48.9739 61.5483 28.576 16.461 25.2165 -0.1472 TIMING: 1792200 CPU: 5599.78, 0.00311391/step Wall: 5599.78, 0.00311391/step, 2.77466 hours remaining, 235.339844 MB of memory in use. ENERGY: 1792200 4026.3827 20366.8562 14471.4212 243.6596 -203434.1634 2885.2972 0.0000 0.0000 52329.9673 -109110.5792 300.7410 -161440.5464 -108742.0191 299.9802 -18.2291 16.5025 761273.5969 -5.3125 -5.2674 LDB: ============= START OF LOAD BALANCING ============== 5612.26 LDB: ============== END OF LOAD BALANCING =============== 5612.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5612.26 LDB: ============= START OF LOAD BALANCING ============== 5612.58 LDB: Largest compute 6972 load 0.030136 is 15.4% of average load 0.195064 LDB: Average compute 0.004414 is 2.3% of average load 0.195064 LDB: TIME 5612.58 LOAD: AVG 0.195064 MAX 0.218197 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.598 MB LDB: TIME 5612.58 LOAD: AVG 0.195064 MAX 0.218197 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.602 MB LDB: TIME 5612.58 LOAD: AVG 0.195064 MAX 0.215579 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.602 MB LDB: ============== END OF LOAD BALANCING =============== 5612.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5612.59 PRESSURE: 1792400 208.947 -9.15416 91.5521 -9.15464 -86.9884 26.8051 91.5524 26.8051 147.634 GPRESSURE: 1792400 184.428 -17.0774 200.093 -29.5443 -52.8552 68.0666 2.10533 -55.4183 231.83 PRESSAVG: 1792400 -14.7035 -45.2961 38.7119 -45.2961 -2.95248 27.9385 38.7119 27.9386 -1.59901 GPRESSAVG: 1792400 -14.9069 -42.1806 37.7186 -47.5182 -2.7226 25.3902 39.5903 29.5143 -2.48479 TIMING: 1792400 CPU: 5600.42, 0.00320632/step Wall: 5600.42, 0.00320632/step, 2.85683 hours remaining, 235.281250 MB of memory in use. ENERGY: 1792400 3980.6654 20690.9264 14378.3674 260.2616 -203289.1938 2699.5221 0.0000 0.0000 52332.5042 -108946.9469 300.7556 -161279.4511 -108587.2064 300.3837 89.8643 121.1343 762760.1577 -6.4183 -6.7048 PRESSURE: 1792600 185.986 22.272 -39.6592 22.272 218.478 80.6303 -39.659 80.6302 465.61 GPRESSURE: 1792600 227.467 -9.97206 -47.932 -1.50832 227.24 86.3424 97.3607 12.5399 484.481 PRESSAVG: 1792600 25.5843 -38.4867 8.75293 -38.4868 -40.5731 -33.639 8.75292 -33.6389 13.7992 GPRESSAVG: 1792600 26.2824 -39.8287 9.5013 -37.6089 -41.0499 -35.6833 7.74257 -35.3877 13.8508 TIMING: 1792600 CPU: 5601.04, 0.00311149/step Wall: 5601.04, 0.00311149/step, 2.77217 hours remaining, 235.484375 MB of memory in use. ENERGY: 1792600 3911.3844 20681.0222 14495.8098 236.7023 -203050.0097 2646.2331 0.0000 0.0000 52156.5333 -108922.3246 299.7443 -161078.8579 -108563.9010 300.4145 290.0249 313.0624 761391.1428 -0.3965 -0.3056 PRESSURE: 1792800 204.767 -86.9967 -198.016 -86.9969 -12.0429 -277.131 -198.016 -277.132 218.968 GPRESSURE: 1792800 229.98 -170.638 -239.962 -73.1335 38.0669 -291.649 -215.122 -331.927 219.244 PRESSAVG: 1792800 48.2576 -12.9007 7.01305 -12.9006 -19.5817 40.2211 7.01305 40.2211 8.29442 GPRESSAVG: 1792800 47.0198 -14.2395 8.11479 -11.6065 -18.8689 44.4219 6.90567 39.1363 8.72681 TIMING: 1792800 CPU: 5601.67, 0.00311519/step Wall: 5601.67, 0.00311518/step, 2.77528 hours remaining, 235.484375 MB of memory in use. ENERGY: 1792800 3958.6861 20669.9707 14446.7353 253.5649 -203125.4050 2486.4972 0.0000 0.0000 52424.6259 -108885.3249 301.2850 -161309.9508 -108525.0636 300.1072 137.2308 162.4304 761884.0424 12.3235 12.2925 PRESSURE: 1793000 -150.253 -59.0282 209.311 -59.0282 -59.379 -238.22 209.311 -238.219 79.9147 GPRESSURE: 1793000 -92.7553 42.5854 307.27 35.6806 -128.304 -151.234 137.824 -383.561 170.391 PRESSAVG: 1793000 79.8825 -25.5232 13.5507 -25.5231 -29.983 -25.1742 13.5507 -25.1742 0.452405 GPRESSAVG: 1793000 80.7904 -26.1085 11.6416 -25.8548 -31.2543 -26.6636 15.9558 -23.4289 0.56999 TIMING: 1793000 CPU: 5602.29, 0.00311852/step Wall: 5602.29, 0.00311853/step, 2.77809 hours remaining, 235.484375 MB of memory in use. ENERGY: 1793000 3944.8073 20561.8224 14532.5061 237.0913 -202819.2026 2490.9807 0.0000 0.0000 52037.3870 -109014.6079 299.0596 -161051.9949 -108655.3919 300.4473 -43.2391 -16.8895 762973.5299 16.7840 16.7020 PRESSURE: 1793200 -194.842 -206.13 -253.651 -206.13 26.6836 -54.181 -253.651 -54.1808 182.013 GPRESSURE: 1793200 -203.95 -195.816 -224.13 -240.258 45.1093 -91.7039 -320.762 -32.6334 277.204 PRESSAVG: 1793200 -16.046 12.3389 41.3944 12.3389 3.37686 -41.3645 41.3944 -41.3646 14.221 GPRESSAVG: 1793200 -15.6939 13.3636 41.6545 13.1176 3.18916 -42.6264 40.0799 -39.9587 13.656 TIMING: 1793200 CPU: 5602.91, 0.00310451/step Wall: 5602.91, 0.00310451/step, 2.76543 hours remaining, 235.484375 MB of memory in use. ENERGY: 1793200 4052.5344 20509.3109 14509.5677 233.5396 -203274.6963 2774.3587 0.0000 0.0000 52126.7498 -109068.6351 299.5731 -161195.3849 -108702.5141 299.7299 4.6185 39.4545 760511.8316 0.5173 0.3837 PRESSURE: 1793400 45.8771 -80.9359 56.5788 -80.9361 -255.588 18.6639 56.5796 18.6634 20.4491 GPRESSURE: 1793400 90.5136 -186.987 154.891 -115.655 -269.537 44.3925 74.0696 77.7567 84.3422 PRESSAVG: 1793400 -22.9571 -13.4572 0.80319 -13.4572 24.391 -38.6642 0.803199 -38.6642 11.0318 GPRESSAVG: 1793400 -24.0306 -13.5315 0.905014 -15.4752 24.6888 -36.2572 0.981523 -40.3692 11.5936 TIMING: 1793400 CPU: 5603.53, 0.00310234/step Wall: 5603.53, 0.00310234/step, 2.76332 hours remaining, 235.484375 MB of memory in use. ENERGY: 1793400 4058.5976 20685.0763 14407.0111 218.7498 -203650.9852 2947.8380 0.0000 0.0000 52182.4640 -109151.2484 299.8933 -161333.7125 -108784.6868 299.6177 -63.0871 -31.5603 762630.9499 4.1552 4.0839 PRESSURE: 1793600 -143.011 -120.213 8.3398 -120.213 -522.314 -78.152 8.33975 -78.1516 -56.8745 GPRESSURE: 1793600 -49.5206 -80.2347 33.4609 -32.5975 -454.593 -157.348 66.2254 -43.4203 -140.26 PRESSAVG: 1793600 -8.02317 -41.0693 -8.12649 -41.0694 -43.3957 -82.0491 -8.12641 -82.0491 0.116524 GPRESSAVG: 1793600 -6.33988 -40.5705 -8.55989 -39.6269 -44.1514 -82.8953 -8.33374 -80.7805 -0.473904 TIMING: 1793600 CPU: 5604.16, 0.00313144/step Wall: 5604.16, 0.00313144/step, 2.78907 hours remaining, 235.484375 MB of memory in use. ENERGY: 1793600 3980.2475 20638.4275 14441.9661 248.2987 -203187.9396 2560.6999 0.0000 0.0000 52426.6725 -108891.6275 301.2968 -161318.3000 -108527.0532 299.5684 -240.7334 -214.7911 763464.1651 -17.1008 -16.9884 PRESSURE: 1793800 13.2082 130.27 -328.344 130.269 318.311 100.698 -328.344 100.697 -317.747 GPRESSURE: 1793800 16.5904 160.486 -297.888 71.8114 310.706 174.623 -203.696 45.3171 -223.1 PRESSAVG: 1793800 20.4854 -19.955 -12.8715 -19.9549 -47.3107 -10.6236 -12.8715 -10.6236 12.7119 GPRESSAVG: 1793800 19.2561 -20.2774 -13.1312 -19.0986 -45.4892 -10.2285 -13.8859 -12.3312 11.6085 TIMING: 1793800 CPU: 5604.78, 0.00312172/step Wall: 5604.78, 0.00312172/step, 2.78024 hours remaining, 235.484375 MB of memory in use. ENERGY: 1793800 4056.4436 20670.2245 14446.5489 264.6450 -203323.6263 2827.5750 0.0000 0.0000 52094.7517 -108963.4377 299.3893 -161058.1893 -108601.4212 299.7349 4.5905 34.7321 761240.9750 -4.7044 -4.8748 PRESSURE: 1794000 39.0881 71.4341 327.529 71.4349 -263.493 10.8751 327.53 10.8745 85.2313 GPRESSURE: 1794000 -2.16925 148.235 288.439 144.292 -131.485 -54.7542 228.773 43.7894 61.9123 PRESSAVG: 1794000 17.6972 7.79523 -5.34139 7.79527 -11.5669 0.738653 -5.34146 0.738672 -0.0283002 GPRESSAVG: 1794000 17.7503 8.29657 -6.40353 6.20579 -13.3968 -1.18913 -3.56716 2.93288 2.01914 TIMING: 1794000 CPU: 5605.4, 0.00311135/step Wall: 5605.4, 0.00311135/step, 2.77083 hours remaining, 235.484375 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: 1794000 3998.3168 20631.6014 14496.3380 268.3394 -202961.0124 2573.4304 0.0000 0.0000 51883.8442 -109109.1423 298.1772 -160992.9864 -108740.0533 299.8020 -46.3912 -23.9140 762329.5263 2.0340 2.1242 PRESSURE: 1794200 51.4543 153.754 -71.4083 153.754 -102.164 22.0178 -71.4084 22.0173 138.933 GPRESSURE: 1794200 168.65 120.638 -77.5397 131.464 -169.568 66.8662 -36.2287 -15.8118 148.992 PRESSAVG: 1794200 65.8287 11.4273 -43.2483 11.4272 -73.0922 5.19408 -43.2483 5.19404 1.78378 GPRESSAVG: 1794200 67.0612 11.1144 -41.4049 10.1199 -73.2764 8.21019 -44.8844 1.70432 0.973531 TIMING: 1794200 CPU: 5606.03, 0.00313083/step Wall: 5606.03, 0.00313083/step, 2.78801 hours remaining, 235.484375 MB of memory in use. ENERGY: 1794200 3978.8011 20756.7395 14477.8127 256.6787 -203097.3694 2662.4106 0.0000 0.0000 51958.3737 -109006.5531 298.6055 -160964.9268 -108645.2966 299.9705 29.4078 49.3579 762351.7905 -1.8265 -1.7472 PRESSURE: 1794400 -24.1402 -137.877 -149.82 -137.876 319.611 -292.247 -149.821 -292.246 113.349 GPRESSURE: 1794400 51.5718 -6.4428 -168.057 -203.085 317.229 -200.44 -92.6861 -289.05 131.335 PRESSAVG: 1794400 31.834 26.5683 -54.2923 26.5683 -40.68 13.6743 -54.2922 13.6743 -7.98871 GPRESSAVG: 1794400 31.7299 27.333 -54.3766 27.0761 -40.3913 11.1812 -54.3243 17.2762 -8.68671 TIMING: 1794400 CPU: 5606.65, 0.00311095/step Wall: 5606.65, 0.00311095/step, 2.77013 hours remaining, 235.484375 MB of memory in use. ENERGY: 1794400 3998.8516 20697.6327 14443.3189 241.4729 -203796.0962 2982.1451 0.0000 0.0000 52426.1108 -109006.5642 301.2936 -161432.6750 -108631.9999 299.6694 136.2734 166.7116 761466.9476 -5.6116 -5.7827 PRESSURE: 1794600 -291.016 102.254 -47.3475 102.254 -164.411 -80.675 -47.3476 -80.6743 387.988 GPRESSURE: 1794600 -211.735 126.32 -54.7722 121.053 -37.2179 -120.826 -69.6853 -99.3116 288.118 PRESSAVG: 1794600 17.4387 0.697101 -36.1956 0.697111 -14.7834 -6.32839 -36.1956 -6.32845 3.03597 GPRESSAVG: 1794600 16.1125 0.886402 -36.3815 1.68218 -13.1613 -6.49685 -36.4048 -9.58412 3.60171 TIMING: 1794600 CPU: 5607.27, 0.00310956/step Wall: 5607.27, 0.00310956/step, 2.76872 hours remaining, 235.484375 MB of memory in use. ENERGY: 1794600 3952.9676 20603.7654 14392.2774 264.4601 -203132.3413 2643.0355 0.0000 0.0000 52330.3859 -108945.4493 300.7434 -161275.8352 -108577.2398 300.2283 -22.4799 13.0551 762476.5280 1.8971 2.1843 PRESSURE: 1794800 4.23613 -48.4898 -106.658 -48.49 -13.6897 -270.284 -106.66 -270.285 139.74 GPRESSURE: 1794800 -34.6615 -46.4443 -106.489 -30.1887 85.7731 -267.462 -33.5773 -221.974 192.53 PRESSAVG: 1794800 -45.111 30.3885 -61.0329 30.3885 25.5728 16.983 -61.0329 16.9829 -9.34906 GPRESSAVG: 1794800 -43.4595 29.1179 -60.89 31.4719 23.8532 17.6916 -60.3448 20.0191 -9.04553 TIMING: 1794800 CPU: 5607.9, 0.00311019/step Wall: 5607.9, 0.00311019/step, 2.7691 hours remaining, 235.484375 MB of memory in use. ENERGY: 1794800 4072.3323 20691.3947 14540.9661 258.8199 -202919.4726 2536.3817 0.0000 0.0000 51984.1519 -108835.4261 298.7536 -160819.5779 -108472.8259 300.0106 43.4287 81.2138 761562.9203 -9.6291 -9.5506 PRESSURE: 1795000 -121.928 -185.442 68.4172 -185.442 146.563 222.118 68.4182 222.117 33.7163 GPRESSURE: 1795000 -52.9685 -85.4892 111.418 -164.546 127.618 222.663 59.7254 110.8 76.28 PRESSAVG: 1795000 -40.5335 -20.8261 -50.1207 -20.8261 13.3712 -11.9131 -50.1207 -11.9132 -20.8746 GPRESSAVG: 1795000 -41.1845 -19.5488 -52.0696 -21.5467 13.0151 -11.3834 -49.291 -13.3781 -20.1561 TIMING: 1795000 CPU: 5608.52, 0.00311326/step Wall: 5608.52, 0.00311326/step, 2.77166 hours remaining, 235.484375 MB of memory in use. ENERGY: 1795000 4038.9841 20539.8144 14462.7734 230.1688 -203178.9474 2916.8579 0.0000 0.0000 52043.1352 -108947.2135 299.0926 -160990.3488 -108579.5749 299.9393 19.4505 50.3098 762065.8877 -16.0123 -16.1085 PRESSURE: 1795200 -1.36738 55.7215 211.05 55.7221 -76.9187 -6.17422 211.051 -6.17279 417.047 GPRESSURE: 1795200 -26.8729 50.2691 180.924 -35.7704 -16.9593 -14.5971 224.478 -87.8109 450.87 PRESSAVG: 1795200 19.1223 10.2026 32.4956 10.2026 -6.46717 -63.3794 32.4956 -63.3793 20.7661 GPRESSAVG: 1795200 18.4195 8.15716 33.8163 9.51625 -5.51414 -63.9425 32.5336 -63.3468 20.3679 TIMING: 1795200 CPU: 5609.14, 0.00310999/step Wall: 5609.14, 0.00310999/step, 2.76858 hours remaining, 235.484375 MB of memory in use. ENERGY: 1795200 4001.9598 20489.1148 14483.7191 231.2178 -203205.1360 2789.9977 0.0000 0.0000 52211.0214 -108998.1055 300.0575 -161209.1269 -108632.2244 299.8191 112.9204 135.6793 761916.0463 11.1404 11.0911 PRESSURE: 1795400 -200.689 134.382 -79.5926 134.382 15.3285 101.731 -79.5939 101.731 77.9934 GPRESSURE: 1795400 -249.902 160.727 -136.886 245.485 26.5634 146.962 -163.796 97.1012 203.522 PRESSAVG: 1795400 -74.1699 -52.523 -5.82245 -52.5229 58.0941 -2.67729 -5.82248 -2.67736 -11.57 GPRESSAVG: 1795400 -74.0775 -51.517 -4.4338 -52.3159 57.3907 -2.08125 -6.4537 -5.01626 -10.3997 TIMING: 1795400 CPU: 5609.77, 0.00312219/step Wall: 5609.77, 0.00312219/step, 2.77927 hours remaining, 235.484375 MB of memory in use. ENERGY: 1795400 4025.6539 20620.4341 14442.3672 249.2663 -203584.6368 2914.7185 0.0000 0.0000 52212.2440 -109119.9528 300.0645 -161332.1968 -108771.8598 299.7212 -35.7892 -6.6056 761555.1368 -9.2153 -9.0288 PRESSURE: 1795600 -381.797 -220.405 -37.4231 -220.405 -43.3951 82.0948 -37.4217 82.0952 -320.336 GPRESSURE: 1795600 -292.845 -71.3185 -123.056 -176.42 -65.1026 93.1832 83.58 103.447 -280.297 PRESSAVG: 1795600 -60.5763 33.2419 -13.968 33.2419 84.7551 27.9213 -13.968 27.9213 4.69605 GPRESSAVG: 1795600 -59.7463 32.836 -16.1093 35.2115 84.3029 28.9 -12.5185 30.3566 4.38181 TIMING: 1795600 CPU: 5610.39, 0.00312308/step Wall: 5610.39, 0.00312308/step, 2.77988 hours remaining, 235.484375 MB of memory in use. ENERGY: 1795600 4026.7417 20518.4176 14524.9160 260.9181 -202737.2704 2345.1104 0.0000 0.0000 52052.7325 -109008.4340 299.1478 -161061.1665 -108646.9631 299.5202 -248.5094 -212.7480 761703.1243 9.6250 9.6461 PRESSURE: 1795800 -287.891 54.3136 -14.0921 54.3131 218.617 258.396 -14.0917 258.396 194.88 GPRESSURE: 1795800 -89.2231 89.301 33.0407 171.21 102.284 247.261 -91.4331 114.936 205.429 PRESSAVG: 1795800 23.0214 -30.7336 -50.5888 -30.7337 -17.1881 1.91936 -50.5888 1.91937 10.2819 GPRESSAVG: 1795800 23.78 -29.6708 -50.0099 -33.5987 -17.1974 0.665264 -52.9023 0.989819 9.75974 TIMING: 1795800 CPU: 5611.01, 0.00311042/step Wall: 5611.01, 0.00311042/step, 2.76844 hours remaining, 235.484375 MB of memory in use. ENERGY: 1795800 3968.9078 20438.0142 14543.4251 243.3928 -202868.7210 2475.4691 0.0000 0.0000 52334.0909 -108865.4212 300.7647 -161199.5121 -108499.0967 299.9773 41.8683 72.8300 761975.0754 5.3717 5.4474 PRESSURE: 1796000 -287.656 -32.396 -51.8519 -32.3947 -247.828 -10.6771 -51.8521 -10.6778 86.458 GPRESSURE: 1796000 -352.491 -77.5258 27.5826 -20.49 -126.205 -66.6061 67.869 -86.4224 110.824 PRESSAVG: 1796000 23.8779 -26.9175 -10.466 -26.9175 -46.699 -56.9324 -10.4661 -56.9324 9.29699 GPRESSAVG: 1796000 23.2358 -25.8097 -9.27708 -25.1061 -46.5514 -56.0759 -10.7944 -56.039 9.77318 TIMING: 1796000 CPU: 5611.64, 0.00311949/step Wall: 5611.64, 0.00311949/step, 2.77635 hours remaining, 235.484375 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: 1796000 3968.3118 20635.3984 14452.7690 257.2865 -202671.9557 2377.0453 0.0000 0.0000 52353.4838 -108627.6610 300.8762 -160981.1448 -108257.4756 300.3639 -149.6752 -122.6243 762099.8393 -4.5080 -4.5141 PRESSURE: 1796200 324.256 -186.129 138.393 -186.127 -89.6893 74.5504 138.393 74.5502 177.619 GPRESSURE: 1796200 398.705 -148.954 130.808 -160.605 -103.967 -11.5441 307.642 125.269 177.914 PRESSAVG: 1796200 61.3763 0.0863438 -2.1269 0.0863174 -27.3288 -6.07192 -2.12691 -6.07204 -25.958 GPRESSAVG: 1796200 61.79 -1.43251 -3.21314 -1.06987 -27.8685 -6.60821 -1.28808 -6.84818 -26.1937 TIMING: 1796200 CPU: 5612.26, 0.00312619/step Wall: 5612.26, 0.00312619/step, 2.78214 hours remaining, 235.484375 MB of memory in use. ENERGY: 1796200 4012.8913 20489.0933 14464.3580 239.3427 -202776.2660 2647.9955 0.0000 0.0000 52384.6090 -108537.9763 301.0551 -160922.5853 -108182.9621 300.2278 137.3953 157.5508 762463.1672 2.6965 2.5759 LDB: ============= START OF LOAD BALANCING ============== 5624.74 LDB: ============== END OF LOAD BALANCING =============== 5624.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5624.74 LDB: ============= START OF LOAD BALANCING ============== 5625.05 LDB: Largest compute 6985 load 0.030770 is 15.8% of average load 0.194950 LDB: Average compute 0.004420 is 2.3% of average load 0.194950 LDB: TIME 5625.06 LOAD: AVG 0.19495 MAX 0.213805 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 5625.06 LOAD: AVG 0.19495 MAX 0.213805 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.348 MB LDB: TIME 5625.06 LOAD: AVG 0.19495 MAX 0.213805 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.348 MB LDB: ============== END OF LOAD BALANCING =============== 5625.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5625.06 PRESSURE: 1796400 -317.853 355.849 -41.5256 355.849 -42.6662 -206.748 -41.5262 -206.749 -639.164 GPRESSURE: 1796400 -312.382 405.947 -75.4628 366.607 -38.2445 -202.772 -9.49765 -89.5345 -573.102 PRESSAVG: 1796400 72.4093 38.1057 7.31113 38.1057 -35.4534 39.2545 7.31115 39.2545 -8.44376 GPRESSAVG: 1796400 71.2813 37.2402 8.4072 39.4328 -34.2267 38.7512 7.57297 40.8195 -8.9391 TIMING: 1796400 CPU: 5612.9, 0.00318944/step Wall: 5612.9, 0.00318944/step, 2.83825 hours remaining, 235.023438 MB of memory in use. ENERGY: 1796400 4072.2326 20708.0637 14479.6123 254.6500 -202853.3164 2588.5007 0.0000 0.0000 52149.8098 -108600.4474 299.7057 -160750.2572 -108235.0806 300.5795 -333.2275 -307.9096 762071.5326 9.5040 9.3719 PRESSURE: 1796600 -227.531 168.871 152.585 168.871 -3.16495 63.635 152.585 63.6341 -228.232 GPRESSURE: 1796600 -285.021 56.8539 147.976 177.784 118.519 -9.90154 124.609 40.0556 -213.319 PRESSAVG: 1796600 -18.0033 34.643 8.09992 34.6431 -16.7055 -28.8794 8.0999 -28.8795 17.6263 GPRESSAVG: 1796600 -17.9975 35.6485 6.19308 33.5522 -16.9252 -29.0929 8.16348 -29.7261 17.9235 TIMING: 1796600 CPU: 5613.52, 0.00310897/step Wall: 5613.52, 0.00310897/step, 2.76646 hours remaining, 235.023438 MB of memory in use. ENERGY: 1796600 4001.5864 20525.4777 14414.2279 259.7985 -202521.0211 2442.4964 0.0000 0.0000 52087.2826 -108790.1516 299.3463 -160877.4343 -108426.1439 300.1446 -152.9759 -126.6069 763466.4717 -5.6942 -5.6664 PRESSURE: 1796800 450.285 69.3857 132.584 69.3859 252.842 -80.0608 132.585 -80.0619 -44.2207 GPRESSURE: 1796800 349.717 56.4187 156.26 67.0732 328.279 -93.5101 94.7822 -15.9788 71.1606 PRESSAVG: 1796800 -35.5997 18.0325 -10.3623 18.0325 57.8625 -24.554 -10.3623 -24.554 4.12556 GPRESSAVG: 1796800 -35.618 20.111 -7.592 15.6521 56.7814 -23.4715 -11.4593 -25.5755 5.0372 TIMING: 1796800 CPU: 5614.14, 0.00311042/step Wall: 5614.14, 0.00311042/step, 2.76758 hours remaining, 235.023438 MB of memory in use. ENERGY: 1796800 4081.4481 20493.5641 14443.1144 232.6483 -202874.1961 2647.2856 0.0000 0.0000 52406.9847 -108569.1511 301.1837 -160976.1358 -108212.4796 300.7664 219.6356 249.7188 761553.1102 8.7961 8.7335 PRESSURE: 1797000 449.865 -127.907 111.225 -127.908 107.494 -80.0292 111.226 -80.0285 216.489 GPRESSURE: 1797000 477.616 -174.779 138.785 -118.201 134.001 -93.9732 125.768 -76.4225 254.11 PRESSAVG: 1797000 20.3528 -13.6294 1.0359 -13.6295 -6.05937 -27.4984 1.03596 -27.4984 -10.7716 GPRESSAVG: 1797000 21.0945 -14.297 -0.556512 -10.4038 -5.20454 -27.105 1.90678 -26.6215 -11.898 TIMING: 1797000 CPU: 5614.76, 0.00310662/step Wall: 5614.76, 0.00310662/step, 2.76403 hours remaining, 235.023438 MB of memory in use. ENERGY: 1797000 4007.2889 20597.8255 14456.0186 260.7062 -203210.7635 2826.0026 0.0000 0.0000 52276.3522 -108786.5695 300.4329 -161062.9217 -108426.9369 300.7459 257.9493 288.5755 762016.2632 1.1739 1.3306 PRESSURE: 1797200 49.2239 -145.348 28.1378 -145.349 281.25 -149.394 28.1375 -149.393 267.162 GPRESSURE: 1797200 134.415 27.3493 63.0491 -199.729 261.35 -167.348 -172.626 -168.493 310.832 PRESSAVG: 1797200 33.5609 -42.5953 0.476141 -42.5953 -79.9662 -25.5748 0.476074 -25.5749 -5.72132 GPRESSAVG: 1797200 34.0677 -41.7255 0.629383 -44.199 -79.8256 -27.3643 -2.19989 -24.545 -6.22427 TIMING: 1797200 CPU: 5615.39, 0.00311428/step Wall: 5615.39, 0.00311428/step, 2.77067 hours remaining, 235.023438 MB of memory in use. ENERGY: 1797200 3953.4060 20584.0550 14449.4063 228.4212 -203090.3376 2828.1407 0.0000 0.0000 52036.6653 -109010.2430 299.0554 -161046.9083 -108650.0836 299.3702 199.2121 235.5327 761992.1807 -17.3755 -17.3274 PRESSURE: 1797400 164.555 1.41457 -83.8024 1.41384 44.1588 174.54 -83.8026 174.539 -489.005 GPRESSURE: 1797400 64.9713 10.9762 -238.251 -33.9206 143.847 166.756 3.65816 275.812 -383.713 PRESSAVG: 1797400 15.7491 -56.894 16.2708 -56.8939 -19.2104 21.1556 16.2708 21.1556 -16.8587 GPRESSAVG: 1797400 15.0721 -58.9087 16.1386 -55.9252 -18.0449 21.3829 19.3292 19.8449 -17.4792 TIMING: 1797400 CPU: 5616.01, 0.00313206/step Wall: 5616.01, 0.00313206/step, 2.78632 hours remaining, 235.023438 MB of memory in use. ENERGY: 1797400 3990.8759 20490.1313 14481.9952 250.1528 -202849.8990 2532.5889 0.0000 0.0000 52391.1806 -108712.9743 301.0928 -161104.1549 -108350.0927 299.9764 -93.4303 -58.2983 763743.3616 -6.7734 -6.8173 PRESSURE: 1797600 596.498 -210.111 -32.6757 -210.111 134.909 -127.573 -32.6765 -127.573 -328.75 GPRESSURE: 1797600 586.616 -247.22 63.2311 -226.959 180.196 -77.2314 -93.1415 -211.859 -276.177 PRESSAVG: 1797600 26.1554 10.1437 22.1488 10.1437 -7.96137 -16.7574 22.1488 -16.7574 4.3127 GPRESSAVG: 1797600 25.7747 8.71087 23.2031 11.3294 -8.57794 -15.5255 21.9105 -17.8664 5.50722 TIMING: 1797600 CPU: 5616.64, 0.00311678/step Wall: 5616.64, 0.00311677/step, 2.77254 hours remaining, 235.023438 MB of memory in use. ENERGY: 1797600 4024.0634 20495.7742 14489.7236 255.5788 -202863.8041 2814.3872 0.0000 0.0000 52138.6157 -108645.6612 299.6413 -160784.2769 -108282.8583 300.1831 134.2191 163.5451 762598.3082 7.5022 7.5680 PRESSURE: 1797800 -3.95897 -5.77802 78.6674 -5.77814 -106.725 -40.4373 78.6671 -40.4366 78.004 GPRESSURE: 1797800 2.56261 -35.991 65.616 69.8457 -44.776 -163.998 91.2071 -124.07 93.8432 PRESSAVG: 1797800 22.5704 -49.2965 -36.078 -49.2964 -8.89321 -24.6085 -36.0779 -24.6086 5.82636 GPRESSAVG: 1797800 23.595 -46.8519 -35.5132 -51.287 -10.0199 -25.3566 -37.4731 -25.4239 5.68136 TIMING: 1797800 CPU: 5617.26, 0.00311566/step Wall: 5617.26, 0.00311566/step, 2.77138 hours remaining, 235.023438 MB of memory in use. ENERGY: 1797800 3959.3931 20573.0928 14522.3160 233.6200 -202854.9909 2827.1715 0.0000 0.0000 52152.0700 -108587.3274 299.7187 -160739.3974 -108223.8717 300.1778 -10.8934 17.2099 763717.0554 6.5012 6.4188 PRESSURE: 1798000 178.693 114.9 -288.918 114.9 -525.673 -11.08 -288.917 -11.0792 -143.876 GPRESSURE: 1798000 207.345 82.6821 -296.837 53.2764 -509.518 0.424507 -381.461 32.9758 -107.465 PRESSAVG: 1798000 22.8245 -16.8351 -62.8176 -16.8351 -15.486 -13.7086 -62.8176 -13.7086 8.01879 GPRESSAVG: 1798000 22.8514 -18.665 -64.4559 -16.5089 -16.0043 -14.231 -60.2501 -12.6307 8.84918 TIMING: 1798000 CPU: 5617.88, 0.00312337/step Wall: 5617.88, 0.00312337/step, 2.77807 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1798000 3960.5562 20610.1594 14543.4670 241.2878 -203194.4117 2926.0246 0.0000 0.0000 52148.8783 -108764.0385 299.7003 -160912.9167 -108398.8337 300.3863 -163.6185 -136.5461 765307.8210 5.1191 5.2321 PRESSURE: 1798200 -125.767 -63.5754 -228.028 -63.5759 -292.799 -11.0208 -228.028 -11.022 -428.853 GPRESSURE: 1798200 -118.349 -42.9784 -213.775 -8.41758 -249.452 14.9713 -126.492 12.3949 -385.136 PRESSAVG: 1798200 32.0158 -25.4941 -45.99 -25.4942 -53.4361 -47.6773 -45.99 -47.6773 14.0922 GPRESSAVG: 1798200 32.9578 -23.2327 -45.1639 -25.7031 -54.1993 -47.8058 -48.143 -46.2789 13.6405 TIMING: 1798200 CPU: 5618.51, 0.00311709/step Wall: 5618.51, 0.00311709/step, 2.7723 hours remaining, 235.023438 MB of memory in use. ENERGY: 1798200 4082.3163 20526.8547 14476.9065 232.4362 -202972.8751 2704.0137 0.0000 0.0000 52256.2764 -108694.0711 300.3175 -160950.3476 -108333.6568 300.0970 -282.4732 -250.9791 763581.1560 -2.4427 -2.5337 PRESSURE: 1798400 -45.3856 -112.666 42.7958 -112.666 -216.931 248.114 42.7959 248.114 -138.864 GPRESSURE: 1798400 -66.9234 -117.126 5.08188 -165.281 -90.5331 219.902 57.5495 292.098 -161.447 PRESSAVG: 1798400 54.7802 12.0175 23.5301 12.0175 -28.2175 -27.1481 23.5301 -27.148 -35.5368 GPRESSAVG: 1798400 52.6431 9.26654 24.3444 14.1304 -27.6102 -25.9502 24.0287 -27.6863 -34.0544 TIMING: 1798400 CPU: 5619.13, 0.00311002/step Wall: 5619.13, 0.00311002/step, 2.76584 hours remaining, 235.023438 MB of memory in use. ENERGY: 1798400 4005.9500 20479.3987 14567.2790 245.0326 -202528.8856 2459.5961 0.0000 0.0000 52151.0407 -108620.5885 299.7127 -160771.6292 -108253.9241 300.0774 -133.7269 -106.3010 762455.3808 -2.9914 -3.0071 PRESSURE: 1798600 371.657 256.951 196.239 256.951 -126.588 17.2024 196.239 17.2023 -300.275 GPRESSURE: 1798600 390.789 185.25 256.974 293.899 -26.4471 -27.4778 55.6621 4.20128 -327.738 PRESSAVG: 1798600 44.2432 -16.7823 13.8898 -16.7823 -73.1199 7.9492 13.8898 7.9492 -2.13791 GPRESSAVG: 1798600 45.0835 -17.8325 13.8263 -17.4029 -72.7559 7.58244 14.3928 8.1853 -3.24474 TIMING: 1798600 CPU: 5619.75, 0.00312031/step Wall: 5619.75, 0.00312031/step, 2.77482 hours remaining, 235.023438 MB of memory in use. ENERGY: 1798600 3963.5748 20646.7085 14461.3167 252.0197 -202961.7371 2684.5164 0.0000 0.0000 52368.4688 -108585.1322 300.9623 -160953.6010 -108225.2414 300.5058 -18.4023 12.2013 763516.7324 -10.3382 -10.3057 PRESSURE: 1798800 -337.376 82.8759 -212.056 82.8766 -157.717 -24.9509 -212.057 -24.9511 -9.94435 GPRESSURE: 1798800 -319.676 -51.0279 -244.688 30.1343 -111.737 -79.7626 -188.966 -76.0477 7.14875 PRESSAVG: 1798800 -6.00819 -5.22638 2.67056 -5.22637 23.3971 -12.1486 2.67058 -12.1486 -15.3158 GPRESSAVG: 1798800 -5.20033 -3.84021 1.14647 -5.62376 22.8663 -10.1294 3.63613 -15.0451 -15.5589 TIMING: 1798800 CPU: 5620.38, 0.00310958/step Wall: 5620.38, 0.00310958/step, 2.7651 hours remaining, 235.023438 MB of memory in use. ENERGY: 1798800 4038.8227 20496.3533 14589.8268 261.5541 -202483.9242 2225.3837 0.0000 0.0000 52357.3494 -108514.6342 300.8984 -160871.9836 -108149.4926 300.4825 -168.3457 -141.4212 763383.6702 0.6910 0.7024 PRESSURE: 1799000 274.434 105.989 -227.105 105.989 182.741 28.6656 -227.105 28.665 290.135 GPRESSURE: 1799000 315.049 76.6915 -191.6 72.4753 190.367 68.1953 -170.639 26.6122 309.355 PRESSAVG: 1799000 22.7775 -29.6982 -18.3701 -29.6982 3.37381 -62.9358 -18.3702 -62.9358 -20.995 GPRESSAVG: 1799000 22.0159 -28.1752 -16.8844 -30.6126 3.67007 -64.3331 -19.5825 -59.6882 -21.2239 TIMING: 1799000 CPU: 5621, 0.00310951/step Wall: 5621, 0.00310951/step, 2.76487 hours remaining, 235.023438 MB of memory in use. ENERGY: 1799000 4073.7939 20599.7444 14563.6906 251.7922 -203266.2249 2885.6676 0.0000 0.0000 52374.5630 -108516.9732 300.9973 -160891.5362 -108158.2812 300.3827 249.1035 271.5906 760426.3368 1.7188 1.4874 PRESSURE: 1799200 225.968 -68.3147 -46.4948 -68.314 -143.267 55.625 -46.4944 55.6252 -251.034 GPRESSURE: 1799200 186.527 -209.285 -33.7222 -60.7127 -27.4339 7.2955 -62.839 -49.7679 -249.181 PRESSAVG: 1799200 59.0868 -56.3085 11.3313 -56.3084 -52.3431 32.5841 11.3313 32.584 -2.51057 GPRESSAVG: 1799200 58.696 -57.3295 10.1553 -55.2541 -52.162 32.9546 10.8005 31.5207 -2.57207 TIMING: 1799200 CPU: 5621.62, 0.00311344/step Wall: 5621.62, 0.00311344/step, 2.76819 hours remaining, 235.023438 MB of memory in use. ENERGY: 1799200 4041.1130 20645.8336 14509.9447 245.1173 -203048.5323 2630.5726 0.0000 0.0000 52423.7651 -108552.1861 301.2801 -160975.9511 -108186.5845 300.9390 -56.1110 -30.0292 763530.7247 1.4111 1.3206 PRESSURE: 1799400 -226.353 -68.2506 -174.178 -68.2512 -113.141 -0.480464 -174.178 -0.480777 -148.77 GPRESSURE: 1799400 -100.374 -29.132 -183.914 -14.5979 -181.405 -61.2725 -141.277 151.16 -125.918 PRESSAVG: 1799400 -23.6521 -26.1201 -44.7219 -26.12 -8.36813 89.0293 -44.7218 89.0293 6.46269 GPRESSAVG: 1799400 -22.8963 -24.8587 -43.6842 -25.351 -8.95147 90.422 -43.4333 88.4322 6.41496 TIMING: 1799400 CPU: 5622.24, 0.00310396/step Wall: 5622.24, 0.00310396/step, 2.75959 hours remaining, 235.023438 MB of memory in use. ENERGY: 1799400 3937.3572 20476.8776 14498.6880 257.9176 -202510.7205 2346.5028 0.0000 0.0000 52372.3182 -108621.0591 300.9844 -160993.3773 -108248.1986 300.2643 -162.7548 -135.8989 762887.9381 -8.5192 -8.4776 PRESSURE: 1799600 -219.749 -61.5014 78.2116 -61.5012 428.901 141.089 78.2123 141.089 178.919 GPRESSURE: 1799600 -83.2608 -185.441 -22.9285 -75.1049 423.975 108.02 140.038 60.1059 134.583 PRESSAVG: 1799600 31.7908 -21.7282 -1.8837 -21.7282 1.11704 35.1725 -1.88368 35.1724 10.0389 GPRESSAVG: 1799600 32.1335 -23.0027 -1.90009 -21.4671 0.510809 33.3408 -1.04187 37.6363 9.9477 TIMING: 1799600 CPU: 5622.86, 0.00309374/step Wall: 5622.86, 0.00309374/step, 2.75033 hours remaining, 235.023438 MB of memory in use. ENERGY: 1799600 3914.5347 20632.8024 14618.3010 225.4929 -203185.5888 2828.6736 0.0000 0.0000 52166.7335 -108799.0507 299.8029 -160965.7842 -108448.2800 300.3464 129.3571 158.4322 763135.1765 14.3156 14.1973 PRESSURE: 1799800 -57.0246 189.355 -129.932 189.355 -177.095 55.9769 -129.932 55.9759 88.0292 GPRESSURE: 1799800 -123.981 148.301 -156.627 109.519 -52.5188 108.772 -35.4798 148.744 124.01 PRESSAVG: 1799800 4.15985 -1.16011 -52.1762 -1.16012 11.5776 20.0059 -52.1763 20.006 -1.98798 GPRESSAVG: 1799800 4.69144 0.995858 -51.5253 -1.34661 12.2879 22.1244 -53.7185 17.7923 -2.57256 TIMING: 1799800 CPU: 5623.48, 0.00311206/step Wall: 5623.48, 0.00311206/step, 2.76645 hours remaining, 235.023438 MB of memory in use. ENERGY: 1799800 3947.2395 20660.9750 14467.2134 263.4668 -203216.0529 2860.8932 0.0000 0.0000 52339.8758 -108676.3892 300.7980 -161016.2650 -108315.3190 300.4520 -48.6967 -17.4966 763172.1108 4.5831 4.8023 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1800000 WRITING COORDINATES TO RESTART FILE AT STEP 1800000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1800000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1800000 36.1681 113.605 166.044 113.606 -148.71 12.3017 166.044 12.3016 168.155 GPRESSURE: 1800000 101.454 67.1746 209.785 84.2364 -93.558 13.6442 191.493 206.897 135.769 PRESSAVG: 1800000 36.9354 0.805102 17.1477 0.805125 -30.9017 -23.0682 17.1477 -23.0681 0.44355 GPRESSAVG: 1800000 35.5582 -0.515268 16.3847 -0.470331 -29.5588 -25.7558 16.569 -19.2375 0.37191 TIMING: 1800000 CPU: 5624.17, 0.00342171/step Wall: 5624.17, 0.00342171/step, 3.04152 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1800000 4047.0864 20351.8504 14440.2364 222.3451 -203046.2577 2778.1159 0.0000 0.0000 52369.6263 -108836.9972 300.9690 -161206.6236 -108466.1151 300.4003 18.5376 47.8882 764439.0217 2.1591 2.1238 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1800000 PRESSURE: 1800200 -277.949 -18.8576 -116.068 -18.8584 -88.8904 -38.2161 -116.069 -38.2162 209.866 GPRESSURE: 1800200 -258.254 28.2385 -109.529 -4.14989 6.84446 18.5435 -101.915 -65.0254 186.093 PRESSAVG: 1800200 14.6237 13.2564 -8.51358 13.2564 15.677 -25.427 -8.51361 -25.4271 -17.5981 GPRESSAVG: 1800200 15.1035 10.7939 -8.7457 14.1274 14.4446 -25.3913 -9.19356 -28.6162 -16.9788 TIMING: 1800200 CPU: 5624.82, 0.0032665/step Wall: 5624.82, 0.0032665/step, 2.90338 hours remaining, 235.023438 MB of memory in use. ENERGY: 1800200 4024.6478 20484.4306 14462.6214 225.9067 -202830.6165 2663.8091 0.0000 0.0000 52027.9088 -108941.2921 299.0051 -160969.2009 -108594.8417 299.4703 -52.3244 -21.7721 762655.7545 4.2342 4.1898 LDB: ============= START OF LOAD BALANCING ============== 5637.3 LDB: ============== END OF LOAD BALANCING =============== 5637.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5637.3 LDB: ============= START OF LOAD BALANCING ============== 5637.61 LDB: Largest compute 6985 load 0.029777 is 15.3% of average load 0.195040 LDB: Average compute 0.004417 is 2.3% of average load 0.195040 LDB: TIME 5637.61 LOAD: AVG 0.19504 MAX 0.211427 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.539 MB LDB: TIME 5637.61 LOAD: AVG 0.19504 MAX 0.211427 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.539 MB LDB: TIME 5637.61 LOAD: AVG 0.19504 MAX 0.211427 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.539 MB LDB: ============== END OF LOAD BALANCING =============== 5637.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5637.62 PRESSURE: 1800400 8.15285 -117.924 -153.591 -117.925 -129.913 22.3557 -153.592 22.3548 198.27 GPRESSURE: 1800400 -32.3723 -94.4534 -212.839 -107.036 -4.38791 -38.863 -55.2125 87.9339 198.498 PRESSAVG: 1800400 22.5266 -8.69334 -7.5229 -8.69332 12.2863 -55.5647 -7.52292 -55.5648 -4.87956 GPRESSAVG: 1800400 22.964 -7.48354 -8.17553 -6.22294 11.258 -54.439 -6.01248 -53.9835 -3.60349 TIMING: 1800400 CPU: 5625.45, 0.00315877/step Wall: 5625.45, 0.00315877/step, 2.80744 hours remaining, 233.742188 MB of memory in use. ENERGY: 1800400 4000.5586 20308.8532 14514.3858 258.2472 -203115.5414 2880.1814 0.0000 0.0000 52143.2144 -109010.1008 299.6678 -161153.3152 -108640.3824 299.7446 25.5032 53.9125 762564.8191 9.9778 10.2062 PRESSURE: 1800600 -212.569 277.122 -158.231 277.123 -3.17784 85.4857 -158.232 85.4845 -336.58 GPRESSURE: 1800600 -214.329 279.138 -151.577 263.766 49.5552 84.267 -96.2497 -47.1254 -309.88 PRESSAVG: 1800600 2.50537 -25.6621 -48.1317 -25.6621 -8.56799 -52.1371 -48.1317 -52.137 5.36784 GPRESSAVG: 1800600 1.39109 -25.937 -48.0572 -27.6154 -8.1292 -53.9834 -50.406 -52.6584 5.76282 TIMING: 1800600 CPU: 5626.07, 0.00310476/step Wall: 5626.07, 0.00310476/step, 2.75927 hours remaining, 233.742188 MB of memory in use. ENERGY: 1800600 3999.7133 20522.3988 14450.9534 230.7406 -203233.3697 2707.5094 0.0000 0.0000 52342.0891 -108979.9651 300.8107 -161322.0542 -108616.4552 299.0986 -184.1091 -158.2179 763004.3804 -0.2316 -0.3251 PRESSURE: 1800800 -327.082 90.1577 -123.929 90.1585 -87.219 -43.8475 -123.93 -43.8482 -313.435 GPRESSURE: 1800800 -334.515 -28.5542 -82.1144 196.324 -94.9605 9.19915 -213.004 -74.3279 -217.582 PRESSAVG: 1800800 24.8921 58.4301 18.9157 58.4301 21.977 -41.7635 18.9156 -41.7635 12.2915 GPRESSAVG: 1800800 25.6536 60.7799 19.4869 60.9646 21.4051 -39.4092 20.6091 -42.4285 12.1405 TIMING: 1800800 CPU: 5626.69, 0.00310664/step Wall: 5626.69, 0.00310664/step, 2.76077 hours remaining, 233.742188 MB of memory in use. ENERGY: 1800800 4024.8144 20520.6487 14475.7758 242.5342 -202600.8434 2307.7668 0.0000 0.0000 52096.5439 -108932.7596 299.3996 -161029.3035 -108562.7475 299.9351 -242.5789 -215.6857 764547.0205 19.7202 19.7331 PRESSURE: 1801000 125.774 -86.837 -22.9901 -86.837 -107.277 50.8508 -22.9896 50.8504 -144.668 GPRESSURE: 1801000 45.0924 -111.479 -2.72189 -187.97 -26.7744 49.4686 21.3699 -77.7878 -52.629 PRESSAVG: 1801000 34.3499 4.67591 41.7546 4.67581 23.5741 -25.3618 41.7547 -25.3618 8.46495 GPRESSAVG: 1801000 34.0033 2.59643 42.4589 1.62766 25.9029 -25.8065 42.764 -25.5435 7.07619 TIMING: 1801000 CPU: 5627.32, 0.00311397/step Wall: 5627.32, 0.00311397/step, 2.76711 hours remaining, 233.742188 MB of memory in use. ENERGY: 1801000 3986.3247 20468.5533 14455.5984 259.6633 -203053.3804 2523.8301 0.0000 0.0000 52406.8722 -108952.5384 301.1830 -161359.4107 -108584.1217 299.4269 -42.0572 -11.4370 761834.1152 22.1297 22.3275 PRESSURE: 1801200 26.6269 -53.6662 -191.275 -53.6667 -224.279 -144.394 -191.275 -144.394 293.404 GPRESSURE: 1801200 -4.74043 1.69426 -205.015 -50.3977 -56.043 -81.9065 -233.842 -142.285 235.373 PRESSAVG: 1801200 2.99723 3.01488 60.4944 3.01481 15.2291 26.4 60.4944 26.4 9.63432 GPRESSAVG: 1801200 4.22238 4.05224 58.6536 3.61973 14.5191 27.9798 59.0703 26.2399 9.17902 TIMING: 1801200 CPU: 5627.94, 0.00311414/step Wall: 5627.94, 0.00311414/step, 2.76709 hours remaining, 233.742188 MB of memory in use. ENERGY: 1801200 4006.1038 20261.5499 14475.2411 234.0191 -203146.3635 2986.8271 0.0000 0.0000 52172.2602 -109010.3623 299.8347 -161182.6225 -108655.2170 299.5420 31.9174 58.1966 763509.0894 9.2869 9.3068 PRESSURE: 1801400 -87.2963 -223.831 -152.344 -223.83 42.2957 -212.656 -152.344 -212.655 50.6419 GPRESSURE: 1801400 14.2492 -231.445 -90.7744 -83.2483 -3.21625 -229.004 -110.79 -82.8549 64.8495 PRESSAVG: 1801400 12.8485 11.9119 29.0802 11.912 -34.1677 31.3299 29.0802 31.3298 32.9761 GPRESSAVG: 1801400 11.2573 10.7215 28.0378 10.4931 -34.5612 29.185 28.157 32.0237 34.4839 TIMING: 1801400 CPU: 5628.56, 0.00310762/step Wall: 5628.56, 0.00310762/step, 2.76112 hours remaining, 233.742188 MB of memory in use. ENERGY: 1801400 3931.8274 20296.7970 14419.0633 256.1188 -203331.2850 2918.1777 0.0000 0.0000 52356.8428 -109152.4581 300.8955 -161509.3009 -108789.1025 299.4003 1.8804 25.2942 762203.1559 3.8857 3.7267 PRESSURE: 1801600 23.2003 149.353 0.757159 149.352 -74.1427 8.02898 0.756964 8.02779 351.213 GPRESSURE: 1801600 167.821 72.6414 59.5853 86.773 -29.6141 75.3426 56.1766 -65.5314 262.644 PRESSAVG: 1801600 15.8826 -5.39763 -9.64592 -5.39766 -11.1236 -11.6258 -9.64588 -11.6258 8.31028 GPRESSAVG: 1801600 16.9002 -6.82211 -8.66492 -5.1973 -10.5916 -12.5713 -6.5062 -10.001 6.96755 TIMING: 1801600 CPU: 5629.18, 0.00310041/step Wall: 5629.18, 0.00310041/step, 2.75454 hours remaining, 233.742188 MB of memory in use. ENERGY: 1801600 4027.1635 20370.6644 14383.5346 234.3486 -202923.9251 2524.7041 0.0000 0.0000 52225.5163 -109157.9937 300.1408 -161383.5100 -108797.4296 299.2423 100.0903 133.6168 761242.7312 4.3565 4.4254 PRESSURE: 1801800 549.677 17.935 156.283 17.9358 -6.04175 -61.3914 156.284 -61.392 385.5 GPRESSURE: 1801800 525.338 82.6867 172.552 -20.9239 73.1937 -14.3506 116.458 39.9419 410.906 PRESSAVG: 1801800 -29.4524 40.8926 -5.43632 40.8925 -41.2256 8.4428 -5.43634 8.44276 -3.76382 GPRESSAVG: 1801800 -30.3379 42.1618 -5.07062 43.6768 -41.4652 9.39644 -6.69897 7.53333 -2.92126 TIMING: 1801800 CPU: 5629.8, 0.00311409/step Wall: 5629.8, 0.00311409/step, 2.76652 hours remaining, 233.742188 MB of memory in use. ENERGY: 1801800 3984.0590 20373.6396 14437.8189 246.5943 -203323.8387 2917.5807 0.0000 0.0000 52012.6627 -109351.4835 298.9175 -161364.1462 -108993.4698 299.3880 309.7118 336.4792 762101.9510 -24.8139 -24.9081 PRESSURE: 1802000 -438.894 -28.2246 66.4119 -28.2243 -128.415 154.711 66.412 154.711 -279.222 GPRESSURE: 1802000 -428.386 -38.1895 75.6925 -12.0371 -114.961 83.6267 152.748 209.864 -213.944 PRESSAVG: 1802000 38.7246 -2.55764 -50.8486 -2.5577 -71.52 -40.1741 -50.8485 -40.1741 11.493 GPRESSAVG: 1802000 39.8286 -1.26803 -49.1469 -3.59131 -72.2137 -40.2385 -51.998 -40.583 10.7317 TIMING: 1802000 CPU: 5630.43, 0.00311991/step Wall: 5630.43, 0.00311991/step, 2.77152 hours remaining, 233.742188 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: 1802000 4005.7240 20302.8744 14426.8194 230.3985 -202886.5568 2424.1762 0.0000 0.0000 52082.7689 -109413.7953 299.3204 -161496.5642 -109046.7052 298.9177 -282.1773 -252.4302 762033.7314 -7.1008 -7.2178 PRESSURE: 1802200 -132.422 67.3908 16.8482 67.39 -231.03 -111.471 16.8476 -111.471 -227.836 GPRESSURE: 1802200 -140.687 38.5351 31.1344 50.3063 -121.856 -149.951 74.4543 -5.58646 -202.239 PRESSAVG: 1802200 13.9973 3.7129 19.3128 3.71284 20.601 55.4152 19.3128 55.4152 5.57704 GPRESSAVG: 1802200 14.8316 1.7628 16.829 2.77444 20.0053 54.8112 21.1268 56.3251 6.12097 TIMING: 1802200 CPU: 5631.05, 0.00310783/step Wall: 5631.05, 0.00310783/step, 2.76062 hours remaining, 233.742188 MB of memory in use. ENERGY: 1802200 3900.4386 20339.7172 14449.0351 248.6372 -202562.5308 2227.6851 0.0000 0.0000 51867.2458 -109529.7719 298.0818 -161397.0176 -109164.1687 298.1530 -197.0959 -154.9273 763110.4799 13.3918 13.6526 PRESSURE: 1802400 294.983 143.364 -193.539 143.364 264.135 -54.9627 -193.539 -54.9634 374.594 GPRESSURE: 1802400 274.006 266.783 -158.976 72.0022 268.441 -23.5192 -226.654 73.7147 470.855 PRESSAVG: 1802400 -17.3516 17.0283 -7.54523 17.0283 30.3211 -20.0408 -7.54527 -20.0408 7.89676 GPRESSAVG: 1802400 -17.6945 18.5353 -6.08506 16.6053 31.2915 -19.6 -9.13042 -20.6157 7.63248 TIMING: 1802400 CPU: 5631.67, 0.00310662/step Wall: 5631.67, 0.00310662/step, 2.75937 hours remaining, 233.742188 MB of memory in use. ENERGY: 1802400 3952.9440 20374.6126 14474.5547 246.2820 -203592.2983 2927.7612 0.0000 0.0000 51955.5499 -109660.5939 298.5893 -161616.1438 -109300.1067 298.3765 311.2374 337.7673 763116.1708 6.9554 7.0765 PRESSURE: 1802600 -101.997 -141.566 21.0477 -141.566 -325.067 -38.5992 21.0486 -38.5987 -27.5705 GPRESSURE: 1802600 -46.3033 -268.695 72.3165 -151.854 -288.472 -24.638 83.6673 -56.1775 -22.9352 PRESSAVG: 1802600 24.9224 0.338487 -16.4679 0.338542 -52.4715 30.9095 -16.4678 30.9095 -12.9823 GPRESSAVG: 1802600 24.5213 -1.06766 -16.2339 1.67662 -53.4497 31.2471 -17.9498 31.0722 -12.0371 TIMING: 1802600 CPU: 5632.29, 0.00311349/step Wall: 5632.29, 0.00311349/step, 2.76529 hours remaining, 233.742188 MB of memory in use. ENERGY: 1802600 3991.0349 20339.6990 14445.5812 216.3282 -203128.7166 2516.8101 0.0000 0.0000 51966.1491 -109653.1141 298.6502 -161619.2631 -109283.7157 298.0481 -151.5447 -119.2367 762500.1903 -13.5105 -13.6551 PRESSURE: 1802800 217.375 -321.799 -54.4105 -321.8 57.6449 -31.5022 -54.4116 -31.5027 -137.625 GPRESSURE: 1802800 250.789 -228.598 -47.0838 -285.597 117.796 -36.5845 65.0348 3.59696 -153.249 PRESSAVG: 1802800 21.1835 -27.4461 7.70286 -27.4462 -34.8821 52.3197 7.70285 52.3197 -20.4871 GPRESSAVG: 1802800 20.9877 -26.6717 8.06953 -27.5393 -33.3393 51.8457 9.65961 54.063 -21.6429 TIMING: 1802800 CPU: 5632.92, 0.00310522/step Wall: 5632.92, 0.00310522/step, 2.75778 hours remaining, 233.742188 MB of memory in use. ENERGY: 1802800 3997.6537 20500.9490 14412.8180 228.9976 -203082.9625 2631.3353 0.0000 0.0000 52004.6936 -109306.5155 298.8717 -161311.2090 -108946.0901 298.2716 45.7984 71.7783 763078.8001 -11.3952 -11.3315 PRESSURE: 1803000 -80.953 -78.1369 -109.112 -78.1367 -97.8469 169.154 -109.111 169.152 93.928 GPRESSURE: 1803000 -23.0839 -15.6818 -38.4456 -51.1161 -138.005 154.383 -123.752 73.2309 154.425 PRESSAVG: 1803000 3.56356 5.5902 61.1145 5.59025 -77.5006 -33.9236 61.1145 -33.9236 -3.36488 GPRESSAVG: 1803000 3.83511 6.2385 60.5711 5.85636 -79.3403 -33.6233 62.2917 -33.8369 -1.6712 TIMING: 1803000 CPU: 5633.54, 0.00311868/step Wall: 5633.54, 0.00311868/step, 2.76956 hours remaining, 233.742188 MB of memory in use. ENERGY: 1803000 4020.5919 20553.7920 14433.4425 252.4737 -202670.3838 2410.2138 0.0000 0.0000 51972.1905 -109027.6794 298.6849 -160999.8699 -108671.4074 299.4064 -28.2906 -2.2212 764917.5694 -25.7673 -25.7255 PRESSURE: 1803200 -137.826 -33.0349 -58.2358 -33.0347 -60.2434 -6.14338 -58.2352 -6.14316 -570.382 GPRESSURE: 1803200 -167.779 -54.6743 -82.8754 57.8839 -35.3308 1.78606 28.9048 11.7613 -482.658 PRESSAVG: 1803200 46.4213 11.099 3.02671 11.0991 0.324504 -25.1199 3.0267 -25.1199 -10.5891 GPRESSAVG: 1803200 45.6543 12.181 4.30489 8.44574 1.46564 -25.3001 0.779698 -25.4512 -10.4447 TIMING: 1803200 CPU: 5634.16, 0.00311662/step Wall: 5634.16, 0.00311662/step, 2.76756 hours remaining, 233.742188 MB of memory in use. ENERGY: 1803200 3941.7223 20593.0802 14548.2884 249.7864 -203097.3681 2579.3620 0.0000 0.0000 51959.8378 -109225.2911 298.6139 -161185.1289 -108867.1621 298.8135 -256.1504 -228.5895 764336.7770 12.0522 12.2251 PRESSURE: 1803400 -347.116 -238.151 91.8181 -238.15 -16.7223 13.7077 91.8179 13.7077 253.031 GPRESSURE: 1803400 -223.521 -156.123 102.426 -241.569 21.3094 -25.6208 58.1955 22.8911 178.485 PRESSAVG: 1803400 26.5391 9.4925 14.8133 9.49253 0.332989 -16.1194 14.8133 -16.1193 0.771868 GPRESSAVG: 1803400 28.0488 8.79356 15.4204 12.8231 -0.100767 -17.4912 14.0773 -16.9706 -0.131208 TIMING: 1803400 CPU: 5634.78, 0.00310772/step Wall: 5634.78, 0.00310772/step, 2.75949 hours remaining, 233.742188 MB of memory in use. ENERGY: 1803400 3994.5364 20450.8590 14429.9291 242.4859 -203016.6429 2496.2975 0.0000 0.0000 51987.8008 -109414.7341 298.7746 -161402.5349 -109055.3232 299.0224 -36.9358 -7.9089 763279.6684 9.2147 9.2723 PRESSURE: 1803600 -252.298 -74.9967 -104.158 -74.9968 -37.3056 170.705 -104.159 170.704 327.827 GPRESSURE: 1803600 -158.392 -110.235 -100.466 -2.19622 -113.662 96.7441 -39.2248 141.796 373.351 PRESSAVG: 1803600 22.4116 29.0727 26.7328 29.0727 -26.6753 -42.1487 26.7328 -42.1487 -16.9307 GPRESSAVG: 1803600 22.1344 28.7131 24.3297 27.3881 -26.0555 -39.7444 27.1085 -41.8854 -17.0603 TIMING: 1803600 CPU: 5635.41, 0.00310865/step Wall: 5635.41, 0.00310865/step, 2.76014 hours remaining, 233.742188 MB of memory in use. ENERGY: 1803600 3964.1900 20540.5492 14474.1085 260.9005 -203333.6107 2606.7694 0.0000 0.0000 51993.4139 -109493.6792 298.8069 -161487.0931 -109133.2427 298.6261 12.7410 33.7657 761808.1378 -7.0648 -6.9938 PRESSURE: 1803800 -67.1934 87.9032 183.986 87.9036 -232.449 128.452 183.988 128.453 -253.958 GPRESSURE: 1803800 -29.8891 149.578 114.849 68.0863 -238.316 142.772 150.489 172.921 -201.943 PRESSAVG: 1803800 10.7707 -0.849914 4.69524 -0.849905 -33.3196 -11.9139 4.69522 -11.9139 9.45831 GPRESSAVG: 1803800 10.1876 0.880732 4.28723 1.93805 -35.0998 -12.3259 5.03416 -11.9053 11.235 TIMING: 1803800 CPU: 5636.03, 0.0031122/step Wall: 5636.03, 0.0031122/step, 2.76312 hours remaining, 233.742188 MB of memory in use. ENERGY: 1803800 3906.9585 20474.6951 14506.3874 257.2485 -202985.4672 2380.6949 0.0000 0.0000 51814.8713 -109644.6116 297.7808 -161459.4829 -109275.7522 298.5496 -184.5337 -156.7161 763539.4866 -4.3635 -4.5591 PRESSURE: 1804000 -88.6562 -81.5612 -394.511 -81.562 -147.133 -161.132 -394.51 -161.132 -117.203 GPRESSURE: 1804000 -147.523 23.5315 -366.111 -175.305 -45.8785 -38.8733 -346.243 56.7695 -67.6381 PRESSAVG: 1804000 16.6956 -2.40562 17.3038 -2.40565 -24.1146 1.41851 17.3039 1.41849 -16.6541 GPRESSAVG: 1804000 17.594 -3.4064 19.6497 -3.8187 -22.5825 0.352382 17.0826 2.48822 -18.1477 TIMING: 1804000 CPU: 5636.65, 0.0031/step Wall: 5636.65, 0.0031/step, 2.75211 hours remaining, 233.742188 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: 1804000 4002.0489 20492.7851 14449.3650 250.0164 -203154.6256 2498.8981 0.0000 0.0000 51923.8430 -109537.6692 298.4070 -161461.5121 -109178.4889 298.4552 -117.6641 -87.0133 761433.9670 -8.0244 -7.7121 PRESSURE: 1804200 456.699 68.6374 80.9018 68.6362 370.46 27.847 80.9005 27.8476 -107.206 GPRESSURE: 1804200 466.641 -40.6596 107.784 77.0316 359.294 13.1482 72.6841 -82.6774 -14.2304 PRESSAVG: 1804200 27.9261 13.3424 3.25268 13.3424 -13.3077 -56.7056 3.25267 -56.7056 29.3435 GPRESSAVG: 1804200 28.439 12.7132 2.01613 12.077 -14.0642 -56.7155 3.63891 -58.1407 29.4353 TIMING: 1804200 CPU: 5637.27, 0.00309708/step Wall: 5637.27, 0.00309708/step, 2.74934 hours remaining, 233.742188 MB of memory in use. ENERGY: 1804200 3947.7677 20455.9953 14407.0266 239.0231 -202929.2371 2392.9854 0.0000 0.0000 51996.3313 -109490.1077 298.8236 -161486.4390 -109118.3583 298.6055 239.9846 270.5681 762566.8360 14.6539 14.6034 LDB: ============= START OF LOAD BALANCING ============== 5649.74 LDB: ============== END OF LOAD BALANCING =============== 5649.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5649.74 LDB: ============= START OF LOAD BALANCING ============== 5650.05 LDB: Largest compute 7007 load 0.029779 is 15.3% of average load 0.195089 LDB: Average compute 0.004406 is 2.3% of average load 0.195089 LDB: TIME 5650.06 LOAD: AVG 0.195089 MAX 0.212845 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.277 MB LDB: TIME 5650.06 LOAD: AVG 0.195089 MAX 0.212845 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.48 MB LDB: TIME 5650.06 LOAD: AVG 0.195089 MAX 0.212845 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.48 MB LDB: ============== END OF LOAD BALANCING =============== 5650.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5650.06 PRESSURE: 1804400 -137.719 -283.123 -90.632 -283.124 1.75238 60.8408 -90.6323 60.8413 -353.757 GPRESSURE: 1804400 -134.41 -267.791 -117.391 -262.242 -15.0503 91.7724 -86.2118 -21.8336 -265.688 PRESSAVG: 1804400 10.685 -27.2227 14.1895 -27.2227 -15.0402 4.16928 14.1895 4.16929 2.80377 GPRESSAVG: 1804400 10.2975 -25.0471 13.219 -28.8278 -15.0662 5.65843 15.6672 2.71571 3.22181 TIMING: 1804400 CPU: 5637.9, 0.00315999/step Wall: 5637.9, 0.00315999/step, 2.80502 hours remaining, 235.277344 MB of memory in use. ENERGY: 1804400 4046.5113 20524.2185 14485.2354 249.9234 -203355.1386 2716.6791 0.0000 0.0000 52038.9525 -109293.6184 299.0686 -161332.5709 -108933.1100 298.8568 -163.2413 -138.3826 762356.1042 -0.5171 -0.5156 PRESSURE: 1804600 13.2013 88.8674 70.4169 88.8669 -166.179 35.0246 70.4175 35.0256 180.602 GPRESSURE: 1804600 37.8864 -12.2181 7.93108 114.765 -35.3262 78.9871 21.148 112.768 110.305 PRESSAVG: 1804600 -47.5638 -23.0503 11.7942 -23.0503 30.1639 13.5169 11.7942 13.5169 17.6031 GPRESSAVG: 1804600 -47.4647 -23.5406 11.6064 -22.1295 31.389 13.1249 9.70726 16.0582 16.4938 TIMING: 1804600 CPU: 5638.52, 0.00309893/step Wall: 5638.52, 0.00309893/step, 2.75065 hours remaining, 235.480469 MB of memory in use. ENERGY: 1804600 4025.3172 20565.7541 14449.1257 263.2879 -203511.3122 2668.0322 0.0000 0.0000 52279.1464 -109260.6488 300.4490 -161539.7952 -108889.2985 299.3011 9.2081 37.6217 761608.6107 0.0677 0.1394 PRESSURE: 1804800 -355.005 129.604 -9.06464 129.604 -128.384 -18.899 -9.06489 -18.8985 83.0897 GPRESSURE: 1804800 -225.593 110.771 57.8611 121.042 -195.569 -101.744 -5.73776 -14.1275 131.088 PRESSAVG: 1804800 -22.0682 -0.785505 36.2025 -0.7855 -4.92806 82.4487 36.2025 82.4487 14.2677 GPRESSAVG: 1804800 -21.9225 -1.32178 37.3118 1.25558 -5.50774 81.7475 35.9658 80.5166 14.4116 TIMING: 1804800 CPU: 5639.14, 0.00311566/step Wall: 5639.14, 0.00311566/step, 2.76532 hours remaining, 235.480469 MB of memory in use. ENERGY: 1804800 3966.0127 20627.5271 14497.0996 249.0593 -203051.7978 2514.4979 0.0000 0.0000 51878.1695 -109319.4318 298.1446 -161197.6012 -108951.3499 299.3450 -133.4331 -96.6915 763603.4896 -4.2429 -4.3396 PRESSURE: 1805000 6.11619 -15.4002 -14.2541 -15.4004 -6.30627 143.437 -14.2538 143.437 96.1575 GPRESSURE: 1805000 116.099 -44.718 22.9276 57.2167 -9.78999 173.067 26.0059 -23.7474 94.911 PRESSAVG: 1805000 -33.5937 -9.33372 75.189 -9.33367 25.1951 26.0713 75.189 26.0713 -4.10417 GPRESSAVG: 1805000 -33.7355 -9.24991 77.7269 -10.6995 25.3327 26.1127 74.4405 27.5798 -3.96721 TIMING: 1805000 CPU: 5639.76, 0.00310801/step Wall: 5639.76, 0.00310801/step, 2.75836 hours remaining, 235.480469 MB of memory in use. ENERGY: 1805000 4042.4570 20664.8305 14433.1651 242.4445 -203447.0709 2696.4203 0.0000 0.0000 52074.9341 -109292.8194 299.2754 -161367.7535 -108934.5966 299.3780 31.9891 67.0734 762145.5489 -4.1676 -4.1233 PRESSURE: 1805200 -152.286 65.2389 92.635 65.2378 -233.098 53.8974 92.6358 53.8958 -143.279 GPRESSURE: 1805200 -145.99 24.0492 60.1312 -17.5447 -222.475 59.4837 217.697 50.6037 -86.1358 PRESSAVG: 1805200 71.978 -32.3143 70.8855 -32.3143 -45.3723 62.2138 70.8855 62.2137 12.6714 GPRESSAVG: 1805200 71.1141 -33.2563 67.7938 -31.6663 -44.3522 62.7706 72.6016 61.7655 11.6974 TIMING: 1805200 CPU: 5640.39, 0.00311442/step Wall: 5640.39, 0.00311442/step, 2.76387 hours remaining, 235.480469 MB of memory in use. ENERGY: 1805200 4010.9394 20511.3034 14449.3283 257.6421 -203249.2116 2483.0836 0.0000 0.0000 52137.8639 -109399.0509 299.6370 -161536.9148 -109039.8623 299.4155 -176.2214 -151.5338 761966.1131 13.0924 12.8198 PRESSURE: 1805400 -79.59 -314.081 305.609 -314.082 -384.939 -50.2627 305.609 -50.2623 -109.413 GPRESSURE: 1805400 -13.4957 -298.679 299.138 -338.729 -400.875 -66.9044 232.765 -17.2986 -80.5928 PRESSAVG: 1805400 23.707 7.25158 33.3251 7.25162 -72.2308 45.8537 33.3251 45.8538 13.7221 GPRESSAVG: 1805400 24.0734 7.16872 33.6193 5.79225 -73.8583 45.8333 34.6693 45.2951 14.4626 TIMING: 1805400 CPU: 5641, 0.00309035/step Wall: 5641, 0.00309035/step, 2.74234 hours remaining, 235.480469 MB of memory in use. ENERGY: 1805400 3980.0685 20548.5032 14460.1663 249.9239 -203482.7207 2749.2980 0.0000 0.0000 51994.5766 -109500.1842 298.8135 -161494.7608 -109143.8067 298.9309 -191.3141 -164.9878 763334.9498 -11.6006 -11.7741 PRESSURE: 1805600 324.902 -63.7424 18.1309 -63.7434 -37.7372 -116.821 18.1318 -116.821 147.95 GPRESSURE: 1805600 357.859 -17.427 -54.3275 23.3846 32.4571 -70.811 -40.3197 -218.937 164.242 PRESSAVG: 1805600 28.5585 -63.6772 44.0808 -63.6772 7.87407 4.17247 44.0808 4.17244 -18.53 GPRESSAVG: 1805600 28.6457 -62.9638 45.2267 -63.2621 7.80932 3.99434 41.7935 6.07993 -18.5558 TIMING: 1805600 CPU: 5641.63, 0.00310662/step Wall: 5641.63, 0.00310662/step, 2.75661 hours remaining, 235.480469 MB of memory in use. ENERGY: 1805600 3963.3154 20444.2160 14469.7981 246.5207 -203393.8507 2550.5493 0.0000 0.0000 52155.8897 -109563.5615 299.7406 -161719.4512 -109191.7961 299.0521 145.0382 184.8525 761156.9824 5.9675 5.9664 PRESSURE: 1805800 18.96 157.562 -16.2606 157.563 -66.1607 209.874 -16.2605 209.874 -142.118 GPRESSURE: 1805800 40.8434 -78.1665 -56.6089 42.057 -19.4251 136.71 111.246 182.329 -102.431 PRESSAVG: 1805800 -10.88 6.88559 76.012 6.88558 -20.4385 18.5548 76.0121 18.5548 -0.847016 GPRESSAVG: 1805800 -11.5905 6.33537 75.7209 5.99874 -19.6342 18.8865 74.9135 15.4495 -1.18979 TIMING: 1805800 CPU: 5642.25, 0.00312445/step Wall: 5642.25, 0.00312445/step, 2.77225 hours remaining, 235.480469 MB of memory in use. ENERGY: 1805800 4048.6921 20587.8325 14459.5364 249.2379 -203973.7961 2968.6291 0.0000 0.0000 52032.8727 -109626.9954 299.0336 -161659.8680 -109268.4892 298.7646 -63.1062 -27.0043 759831.6536 -10.7218 -10.8048 PRESSURE: 1806000 -273.482 -153.175 -80.917 -153.174 -170.701 -157.908 -80.9159 -157.909 -221.182 GPRESSURE: 1806000 -284.608 -236.916 -94.5072 -83.0422 -94.7655 -105.017 -106.899 -72.2859 -226.601 PRESSAVG: 1806000 83.2905 26.6713 -7.17273 26.6714 -85.5289 -9.3221 -7.17275 -9.32207 -40.3024 GPRESSAVG: 1806000 82.7636 26.9026 -8.48823 27.8848 -86.2274 -10.0095 -6.00636 -8.27522 -39.3041 TIMING: 1806000 CPU: 5642.88, 0.0031255/step Wall: 5642.88, 0.0031255/step, 2.77302 hours remaining, 235.480469 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: 1806000 3965.1460 20580.1344 14485.5129 259.5987 -203253.9367 2462.6805 0.0000 0.0000 51992.9039 -109507.9604 298.8039 -161500.8643 -109132.8960 299.1235 -221.7881 -201.9915 762185.2270 -14.1803 -14.2560 PRESSURE: 1806200 54.8939 -103.1 76.6326 -103.1 6.146 87.06 76.6323 87.0598 -146.667 GPRESSURE: 1806200 104.018 -71.0574 -55.449 -105.063 6.24876 34.9497 15.9356 71.9957 -134.305 PRESSAVG: 1806200 6.23323 -48.6276 -41.1539 -48.6277 -26.0199 0.502302 -41.1539 0.502292 22.4234 GPRESSAVG: 1806200 6.03728 -49.8062 -40.3838 -48.2224 -25.0632 0.435146 -40.889 1.30765 21.8489 TIMING: 1806200 CPU: 5643.5, 0.00311926/step Wall: 5643.5, 0.00311926/step, 2.76731 hours remaining, 235.480469 MB of memory in use. ENERGY: 1806200 4049.3045 20719.0836 14475.4514 254.0968 -203254.2331 2418.7640 0.0000 0.0000 51914.6181 -109422.9148 298.3540 -161337.5329 -109061.1908 298.9506 -28.5425 -8.0125 761496.9396 0.8789 0.9410 PRESSURE: 1806400 25.428 -82.5143 -173.522 -82.5148 81.9744 -241.857 -173.523 -241.858 15.0978 GPRESSURE: 1806400 77.6624 -182.556 -215.799 38.1312 134.425 -295.074 -226.35 -240.888 -7.73109 PRESSAVG: 1806400 -74.0283 -47.9856 -6.85637 -47.9856 8.75946 -5.81532 -6.85638 -5.81524 -9.93194 GPRESSAVG: 1806400 -72.7217 -46.9479 -7.1653 -46.601 7.68172 -6.63468 -7.56366 -8.07089 -9.99195 TIMING: 1806400 CPU: 5644.12, 0.00311775/step Wall: 5644.12, 0.00311775/step, 2.76579 hours remaining, 235.480469 MB of memory in use. ENERGY: 1806400 3948.5798 20643.1607 14417.9378 252.0415 -203412.7196 2726.8666 0.0000 0.0000 52091.1550 -109332.9781 299.3686 -161424.1332 -108969.9525 299.4050 40.8334 68.1187 761410.2179 -25.0669 -25.0106 PRESSURE: 1806600 174.839 -57.4861 229.404 -57.4874 -197.273 -49.7707 229.403 -49.7722 -187.101 GPRESSURE: 1806600 195.859 -2.18849 114.33 -149.472 -148.152 -91.7295 283.333 -99.7657 -160.117 PRESSAVG: 1806600 16.0708 21.4298 -4.40595 21.4298 10.1229 30.7139 -4.40602 30.7138 -10.1923 GPRESSAVG: 1806600 15.8964 20.8798 -4.01256 21.1364 10.6789 31.8324 -4.00224 31.0876 -10.5497 TIMING: 1806600 CPU: 5644.75, 0.00311567/step Wall: 5644.75, 0.00311567/step, 2.76378 hours remaining, 235.480469 MB of memory in use. ENERGY: 1806600 3999.1844 20573.7037 14460.5014 252.8125 -203315.3971 2531.4010 0.0000 0.0000 52063.1831 -109434.6110 299.2078 -161497.7940 -109077.5222 299.3621 -69.8451 -37.4700 760794.5161 5.3338 5.3419 PRESSURE: 1806800 -155.757 171.937 -65.3822 171.938 299.504 23.3196 -65.3823 23.3207 164.984 GPRESSURE: 1806800 -95.9177 69.8429 20.4719 174.099 375.758 -2.73527 31.3843 -12.0912 115.438 PRESSAVG: 1806800 29.739 -25.8271 60.0953 -25.8271 -16.0306 2.72028 60.0953 2.7203 -20.2063 GPRESSAVG: 1806800 29.1528 -24.9268 61.2453 -27.467 -16.0251 0.953163 59.6323 4.55315 -19.9788 TIMING: 1806800 CPU: 5645.37, 0.00312935/step Wall: 5645.37, 0.00312935/step, 2.77573 hours remaining, 235.480469 MB of memory in use. ENERGY: 1806800 3995.4841 20551.8676 14405.6022 251.7966 -203722.4556 2926.9101 0.0000 0.0000 52094.9022 -109495.8928 299.3901 -161590.7950 -109135.1899 299.1997 102.9103 131.7595 759359.2579 -2.1660 -2.2837 PRESSURE: 1807000 97.5832 257.82 341.103 257.82 -256.461 -92.9671 341.103 -92.967 -113.254 GPRESSURE: 1807000 164.339 255.316 322.155 299.386 -262.749 -177.71 279.939 -66.6936 -85.856 PRESSAVG: 1807000 6.8544 47.2285 41.9111 47.2285 -13.8869 -13.8358 41.9111 -13.8358 -3.99312 GPRESSAVG: 1807000 8.44222 46.6224 40.7487 48.2308 -15.5004 -12.2832 41.5439 -16.6136 -4.0534 TIMING: 1807000 CPU: 5646, 0.00311977/step Wall: 5646, 0.00311977/step, 2.76706 hours remaining, 235.480469 MB of memory in use. ENERGY: 1807000 3998.8259 20481.5658 14379.4955 240.7212 -203247.9194 2497.6593 0.0000 0.0000 52342.3925 -109307.2592 300.8124 -161649.6516 -108938.3387 299.6670 -90.7104 -61.4221 761164.3257 -3.6752 -3.7039 PRESSURE: 1807200 -236.349 1.43026 -250.112 1.43042 -264.047 16.9487 -250.112 16.9484 -291.145 GPRESSURE: 1807200 -211.614 -60.556 -275.211 -32.0563 -252.624 58.0985 -11.5595 13.438 -248.463 PRESSAVG: 1807200 33.0478 27.0223 51.7548 27.0222 -29.6336 -15.0655 51.7548 -15.0654 6.29925 GPRESSAVG: 1807200 32.4088 26.5988 50.9766 26.7713 -27.5758 -15.2354 53.3487 -13.9605 4.95137 TIMING: 1807200 CPU: 5646.62, 0.0031195/step Wall: 5646.62, 0.0031195/step, 2.76665 hours remaining, 235.480469 MB of memory in use. ENERGY: 1807200 4010.8134 20625.5414 14416.9693 258.4512 -202916.2311 2358.9294 0.0000 0.0000 52151.9480 -109093.5784 299.7180 -161245.5265 -108725.9231 299.9675 -263.8471 -237.5669 760641.1343 3.2378 3.2615 PRESSURE: 1807400 -211.277 106.655 127.573 106.655 -297.182 196.541 127.574 196.541 39.9087 GPRESSURE: 1807400 -182.496 139.226 187.731 68.0304 -150.897 181.719 -31.802 185.122 -59.0268 PRESSAVG: 1807400 10.6389 19.8206 19.3986 19.8206 -3.02931 23.338 19.3986 23.3379 22.5826 GPRESSAVG: 1807400 10.8222 20.7082 20.5152 18.5461 -3.21484 21.9806 17.2379 23.8795 22.1645 TIMING: 1807400 CPU: 5647.24, 0.00311693/step Wall: 5647.24, 0.00311693/step, 2.7642 hours remaining, 235.480469 MB of memory in use. ENERGY: 1807400 3971.9333 20546.4967 14480.1664 251.7225 -203097.3135 2506.5672 0.0000 0.0000 52335.2427 -109005.1847 300.7714 -161340.4274 -108634.5992 300.0704 -156.1834 -130.8064 762529.4028 10.0641 9.9240 PRESSURE: 1807600 -357.678 33.0045 -17.3069 33.0052 -578.867 139.41 -17.3066 139.411 -506.357 GPRESSURE: 1807600 -392.066 87.4301 36.9781 35.6203 -532.615 107.186 -93.803 99.2517 -439.869 PRESSAVG: 1807600 2.50567 46.9133 -0.972207 46.9133 2.57031 4.03108 -0.972308 4.03108 -12.9033 GPRESSAVG: 1807600 2.92894 44.6005 -2.30332 49.0277 1.75759 4.37897 -0.712174 5.34396 -11.8137 TIMING: 1807600 CPU: 5647.87, 0.0031247/step Wall: 5647.87, 0.0031247/step, 2.77091 hours remaining, 235.480469 MB of memory in use. ENERGY: 1807600 3950.8363 20756.4579 14486.4045 235.0497 -202778.7291 2324.0581 0.0000 0.0000 52017.0640 -109008.8585 298.9428 -161025.9225 -108653.4723 299.9662 -480.9676 -454.8500 761907.2080 -2.6091 -2.3757 PRESSURE: 1807800 -212.546 119.492 22.3233 119.492 -118.809 -270.996 22.3237 -270.996 -244.516 GPRESSURE: 1807800 -185.168 -22.065 117.659 124.374 -73.3623 -376.847 40.8195 -207.059 -234.665 PRESSAVG: 1807800 -6.02711 2.02862 -27.6564 2.0286 11.3646 -37.5365 -27.6564 -37.5365 -3.78563 GPRESSAVG: 1807800 -7.21123 3.41284 -28.4178 0.89673 11.2254 -37.7723 -27.5703 -37.9989 -2.38639 TIMING: 1807800 CPU: 5648.49, 0.00311656/step Wall: 5648.49, 0.00311656/step, 2.76352 hours remaining, 235.480469 MB of memory in use. ENERGY: 1807800 3990.2806 20611.5861 14514.7811 234.4922 -202821.0482 2503.8903 0.0000 0.0000 52011.8422 -108954.1757 298.9128 -160966.0179 -108592.4109 299.7385 -191.9569 -164.3983 764355.5399 0.5173 0.5426 PRESSURE: 1808000 16.2081 43.8433 274.846 43.8431 -52.3283 85.8317 274.845 85.8308 296.699 GPRESSURE: 1808000 14.6448 -28.2454 245.125 103.257 34.9112 51.2649 371.55 -91.2942 306.327 PRESSAVG: 1808000 -1.01953 -2.30691 24.6546 -2.30693 -1.32977 -81.0566 24.6546 -81.0566 -15.3436 GPRESSAVG: 1808000 -2.0506 -0.556899 24.2837 -3.24599 0.509764 -79.4657 25.8333 -81.4116 -15.9496 TIMING: 1808000 CPU: 5649.12, 0.00311701/step Wall: 5649.12, 0.00311701/step, 2.76375 hours remaining, 235.480469 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: 1808000 3945.9548 20502.3011 14535.5369 261.7546 -203242.8188 2957.4075 0.0000 0.0000 52154.6654 -108885.1986 299.7336 -161039.8640 -108521.8721 299.9670 86.8596 118.6276 761008.5270 -5.8976 -5.8301 PRESSURE: 1808200 515.808 -116.054 -19.2436 -116.053 426.901 -143.026 -19.2441 -143.025 -111.729 GPRESSURE: 1808200 591.34 -47.0814 -99.354 -91.545 463.272 -104.155 37.303 -62.5815 -161.081 PRESSAVG: 1808200 18.9762 58.0527 19.411 58.0527 -4.0564 -38.6442 19.411 -38.6442 22.3766 GPRESSAVG: 1808200 21.1887 56.4942 20.3523 59.2947 -4.5564 -39.2829 17.3365 -39.3574 20.8306 TIMING: 1808200 CPU: 5649.74, 0.00311021/step Wall: 5649.74, 0.00311021/step, 2.75755 hours remaining, 235.480469 MB of memory in use. ENERGY: 1808200 3942.7176 20485.8283 14475.3811 246.6959 -203412.3267 2887.4855 0.0000 0.0000 52532.5958 -108841.6224 301.9056 -161374.2182 -108482.1918 300.2998 276.9932 297.8437 760899.6717 12.4321 12.4876 LDB: ============= START OF LOAD BALANCING ============== 5662.22 LDB: ============== END OF LOAD BALANCING =============== 5662.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5662.22 LDB: ============= START OF LOAD BALANCING ============== 5662.53 LDB: Largest compute 6985 load 0.029514 is 15.1% of average load 0.195029 LDB: Average compute 0.004406 is 2.3% of average load 0.195029 LDB: TIME 5662.53 LOAD: AVG 0.195029 MAX 0.216726 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.793 MB LDB: TIME 5662.53 LOAD: AVG 0.195029 MAX 0.216726 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236 MB LDB: TIME 5662.53 LOAD: AVG 0.195029 MAX 0.216726 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236 MB LDB: ============== END OF LOAD BALANCING =============== 5662.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5662.54 PRESSURE: 1808400 138.288 149.029 -175.671 149.029 378.898 -175.204 -175.671 -175.204 266.625 GPRESSURE: 1808400 198.954 181.798 -210.389 195.582 436.675 -175.179 15.0095 -28.4927 235.006 PRESSAVG: 1808400 16.8541 0.823774 38.6906 0.823781 -20.4353 -29.4774 38.6907 -29.4773 -3.0248 GPRESSAVG: 1808400 15.9142 1.94276 38.4712 2.17416 -20.44 -29.0532 40.0346 -25.4492 -2.34814 TIMING: 1808400 CPU: 5650.37, 0.00318059/step Wall: 5650.37, 0.00318059/step, 2.81977 hours remaining, 234.253906 MB of memory in use. ENERGY: 1808400 4020.3084 20467.0817 14520.0667 246.4060 -203191.1312 2710.8832 0.0000 0.0000 52164.6753 -109061.7099 299.7911 -161226.3852 -108693.3085 299.7969 261.2706 290.2119 760007.5589 -2.2020 -2.2913 PRESSURE: 1808600 -168.855 -19.3638 235.335 -19.3642 -169.88 96.5678 235.334 96.5682 -332.33 GPRESSURE: 1808600 -61.2031 10.0746 183.574 -125.74 -212.978 71.6953 170.344 -14.8657 -310.831 PRESSAVG: 1808600 23.5129 26.7728 26.8982 26.7728 -46.4475 0.993789 26.8983 0.993798 12.1264 GPRESSAVG: 1808600 23.4336 28.6604 27.7799 24.2672 -46.1171 0.0406588 27.6138 -0.308274 12.3574 TIMING: 1808600 CPU: 5651, 0.00312413/step Wall: 5651, 0.00312413/step, 2.76954 hours remaining, 234.457031 MB of memory in use. ENERGY: 1808600 3970.4705 20460.6749 14435.6532 241.7636 -202663.8754 2257.8442 0.0000 0.0000 52193.9660 -109103.5030 299.9594 -161297.4690 -108737.5756 299.6953 -223.6884 -195.0042 762177.1082 -3.6028 -3.4420 PRESSURE: 1808800 -10.4239 -39.3514 -90.7366 -39.3511 -231.355 71.1933 -90.7369 71.1925 75.6291 GPRESSURE: 1808800 -11.9646 -70.5391 -56.5444 -70.601 -132.974 71.75 -37.1653 96.0494 54.1604 PRESSAVG: 1808800 33.2139 -34.8791 42.5932 -34.8792 -43.0803 41.3401 42.5932 41.34 13.4646 GPRESSAVG: 1808800 33.3138 -36.602 41.9836 -34.5343 -43.0226 41.447 41.9815 40.9215 12.8957 TIMING: 1808800 CPU: 5651.62, 0.00312/step Wall: 5651.62, 0.00312/step, 2.76571 hours remaining, 234.457031 MB of memory in use. ENERGY: 1808800 4021.6725 20458.3409 14498.7328 230.4158 -202867.9981 2547.8632 0.0000 0.0000 51870.9449 -109240.0280 298.1030 -161110.9729 -108882.9826 299.4983 -55.3833 -30.2594 761315.6510 1.1994 1.0623 PRESSURE: 1809000 -130.046 -8.45433 15.5112 -8.45347 -84.1026 -43.8892 15.5111 -43.8895 24.2415 GPRESSURE: 1809000 -78.0859 -89.7478 -37.1159 116.624 -107.063 -92.0262 65.5945 -58.2711 78.402 PRESSAVG: 1809000 55.4338 24.7453 5.91383 24.7453 -47.3535 52.7118 5.91387 52.7119 13.0518 GPRESSAVG: 1809000 54.4529 24.0612 8.42338 25.2907 -47.8277 53.7406 4.7343 54.4199 14.1029 TIMING: 1809000 CPU: 5652.24, 0.00309913/step Wall: 5652.24, 0.00309913/step, 2.74703 hours remaining, 234.457031 MB of memory in use. ENERGY: 1809000 3936.8025 20361.4854 14541.3373 233.3175 -203056.9643 2611.4303 0.0000 0.0000 52252.2719 -109120.3194 300.2945 -161372.5913 -108752.6144 299.5226 -63.3023 -35.5823 761735.7726 7.0440 6.9093 PRESSURE: 1809200 -235.362 -51.5998 -120.045 -51.5987 -423.846 238.494 -120.045 238.494 -138.379 GPRESSURE: 1809200 -224.784 91.3147 -146.01 -37.8752 -336.007 199.986 -207.072 184.286 -133.485 PRESSAVG: 1809200 25.4337 -0.348802 -4.5303 -0.348821 -17.3715 10.8368 -4.53028 10.8368 3.74967 GPRESSAVG: 1809200 26.4568 1.02288 -6.70091 0.781733 -16.7858 10.1925 -2.57665 7.67041 2.60173 TIMING: 1809200 CPU: 5652.86, 0.00310584/step Wall: 5652.86, 0.00310584/step, 2.75281 hours remaining, 234.457031 MB of memory in use. ENERGY: 1809200 3865.2401 20370.6485 14490.5693 252.6274 -202476.8129 2274.7314 0.0000 0.0000 51975.0490 -109247.9473 298.7013 -161222.9963 -108877.5733 299.1793 -265.8622 -231.4251 762147.5584 3.9373 4.0909 PRESSURE: 1809400 -216 1.07422 -18.4405 1.07592 -215.571 210.366 -18.4405 210.366 -19.9595 GPRESSURE: 1809400 -144.537 2.83766 28.6841 -46.1576 -188.1 160.983 -33.5692 295.598 -31.811 PRESSAVG: 1809400 -6.33314 -24.1011 7.95738 -24.1011 -48.4644 9.26255 7.95731 9.26251 7.26754 GPRESSAVG: 1809400 -5.64666 -26.8462 9.24127 -23.232 -48.2674 8.7227 5.74638 9.78839 5.86992 TIMING: 1809400 CPU: 5653.49, 0.00310935/step Wall: 5653.49, 0.00310935/step, 2.75575 hours remaining, 234.457031 MB of memory in use. ENERGY: 1809400 4019.5350 20289.8681 14516.4490 274.0829 -203047.9013 2507.5785 0.0000 0.0000 52321.2941 -109119.0937 300.6912 -161440.3877 -108743.1060 299.1328 -150.5101 -121.4827 761166.5495 -15.8434 -16.0147 PRESSURE: 1809600 40.9764 -86.6223 104.97 -86.6215 74.107 -21.3496 104.97 -21.349 -56.7936 GPRESSURE: 1809600 71.8888 -249.164 16.9236 11.8947 96.2883 -45.6528 104.472 51.4311 -27.7459 PRESSAVG: 1809600 16.6063 -18.8205 -0.0409388 -18.8206 2.71614 26.7478 -0.0409372 26.7477 7.72844 GPRESSAVG: 1809600 15.5119 -18.8308 -1.89203 -21.9541 2.59407 25.8826 2.40026 26.4158 8.54084 TIMING: 1809600 CPU: 5654.11, 0.00310783/step Wall: 5654.11, 0.00310783/step, 2.75423 hours remaining, 234.457031 MB of memory in use. ENERGY: 1809600 4009.8700 20511.1861 14556.9113 240.8075 -203110.1219 2752.9160 0.0000 0.0000 51719.6366 -109318.7944 297.2335 -161038.4310 -108973.4045 299.0222 19.4299 46.8104 761934.6182 9.0170 8.8823 PRESSURE: 1809800 -202.49 42.3309 63.7304 42.3309 -7.52452 -167.136 63.7306 -167.136 -152.433 GPRESSURE: 1809800 -91.929 70.7191 127.924 74.4718 -1.73301 -111.228 100.522 -129.91 -183.294 PRESSAVG: 1809800 -50.1684 8.29907 3.76718 8.29906 17.911 -0.495522 3.76715 -0.495537 18.1688 GPRESSAVG: 1809800 -50.4508 9.59625 3.94908 10.4762 17.6451 3.31014 4.52598 -1.06619 18.5392 TIMING: 1809800 CPU: 5654.73, 0.00311256/step Wall: 5654.73, 0.00311256/step, 2.75825 hours remaining, 234.457031 MB of memory in use. ENERGY: 1809800 4007.6713 20450.6801 14535.2222 246.0495 -203439.6929 2895.5143 0.0000 0.0000 52042.7156 -109261.8399 299.0902 -161304.5554 -108901.4909 298.5858 -120.8159 -92.3186 763705.8292 -4.6962 -4.7555 PRESSURE: 1810000 -266.687 54.9776 -47.1149 54.9773 55.831 221.961 -47.1156 221.96 -152.746 GPRESSURE: 1810000 -236.215 61.0901 -5.9837 22.7144 12.7266 121.027 -82.1959 195.019 -58.7763 PRESSAVG: 1810000 8.81257 -3.41692 -9.51138 -3.41694 4.73452 53.8852 -9.51142 53.8852 20.4638 GPRESSAVG: 1810000 9.89397 -3.63526 -8.98006 -3.08719 5.01312 51.3596 -10.9084 54.2226 18.7959 TIMING: 1810000 CPU: 5655.35, 0.00311398/step Wall: 5655.35, 0.00311398/step, 2.75934 hours remaining, 234.457031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1810000 3985.0208 20338.6477 14518.8970 247.3152 -203092.3916 2638.8249 0.0000 0.0000 52209.7589 -109153.9270 300.0502 -161363.6860 -108784.4533 299.2919 -121.2005 -94.0883 763137.2328 11.3370 11.2343 PRESSURE: 1810200 -10.0624 -30.9014 -239.021 -30.9016 457.569 -162.105 -239.021 -162.105 -457.051 GPRESSURE: 1810200 83.4854 -138.717 -262.901 15.29 414.792 -109.955 -109.481 -39.6078 -414.455 PRESSAVG: 1810200 -26.7065 -28.053 -58.2823 -28.053 20.9024 33.8795 -58.2823 33.8794 12.9338 GPRESSAVG: 1810200 -26.3519 -28.9009 -59.1036 -29.7107 19.5652 34.8042 -57.2085 34.7226 13.9312 TIMING: 1810200 CPU: 5655.97, 0.00311226/step Wall: 5655.97, 0.00311226/step, 2.75763 hours remaining, 234.457031 MB of memory in use. ENERGY: 1810200 3963.8304 20411.5624 14497.9063 241.0364 -203017.2958 2678.9939 0.0000 0.0000 52101.4614 -109122.5050 299.4278 -161223.9665 -108766.2182 299.1656 -3.1814 27.9406 762887.6725 2.3766 2.3815 PRESSURE: 1810400 -54.8129 -37.9684 12.1592 -37.9674 -0.847357 -140.638 12.1593 -140.637 17.2494 GPRESSURE: 1810400 -64.1036 19.2623 -62.7044 -19.7694 46.6012 -170.754 30.9805 -24.8114 60.5727 PRESSAVG: 1810400 -27.5174 -3.78181 -0.0782998 -3.78175 56.4107 -28.987 -0.078257 -28.9871 18.6603 GPRESSAVG: 1810400 -27.8464 -2.77331 -0.270773 -3.03621 56.9097 -29.4885 -1.62976 -27.4268 18.3617 TIMING: 1810400 CPU: 5656.6, 0.00311821/step Wall: 5656.6, 0.00311821/step, 2.76273 hours remaining, 234.457031 MB of memory in use. ENERGY: 1810400 3969.2363 20446.7920 14448.3889 235.5456 -202866.8905 2542.5500 0.0000 0.0000 51870.1582 -109354.2194 298.0985 -161224.3777 -108993.5533 298.8145 -12.8036 14.3568 762611.3977 15.8512 15.8083 PRESSURE: 1810600 54.2165 -113.801 141.42 -113.801 -96.4342 26.8921 141.42 26.8916 56.311 GPRESSURE: 1810600 129.648 -121.062 205.719 -212.46 -125.605 76.613 113.621 80.2735 89.6255 PRESSAVG: 1810600 7.88943 24.6889 68.1283 24.6889 -8.9494 30.1451 68.1284 30.145 22.7946 GPRESSAVG: 1810600 6.53237 23.2689 69.1224 24.9285 -7.74938 28.3115 67.3112 29.6339 22.8136 TIMING: 1810600 CPU: 5657.22, 0.00310992/step Wall: 5657.22, 0.00310992/step, 2.75522 hours remaining, 234.457031 MB of memory in use. ENERGY: 1810600 3991.8111 20605.1127 14502.8096 226.4490 -203177.0238 2714.5777 0.0000 0.0000 52038.7321 -109097.5316 299.0673 -161136.2637 -108744.8701 299.5590 4.6978 31.2228 763191.6147 7.2449 7.1989 PRESSURE: 1810800 0.484457 -38.3275 -106.253 -38.3279 554.385 127.627 -106.252 127.627 275.572 GPRESSURE: 1810800 51.3769 11.3594 -101.07 -77.6455 530.789 170.957 -55.0368 97.2364 313.113 PRESSAVG: 1810800 -28.1252 -17.4117 6.61342 -17.4118 7.56182 37.683 6.61338 37.683 -8.78403 GPRESSAVG: 1810800 -26.6405 -15.8024 6.6748 -16.7146 5.91395 40.5244 6.97442 37.0965 -8.41477 TIMING: 1810800 CPU: 5657.84, 0.00310674/step Wall: 5657.84, 0.00310674/step, 2.75223 hours remaining, 234.457031 MB of memory in use. ENERGY: 1810800 3926.4726 20503.0490 14479.3523 244.5849 -203102.4853 2580.5565 0.0000 0.0000 52063.1035 -109305.3664 299.2074 -161368.4700 -108940.1817 299.0036 276.8138 298.4263 762198.5391 -9.7825 -9.7138 PRESSURE: 1811000 -414.589 50.7001 73.4854 50.7009 223.681 -104.739 73.4856 -104.739 -102.593 GPRESSURE: 1811000 -400.839 -78.4417 2.87147 -61.1191 292.401 -15.7812 1.77157 -54.229 -92.0328 PRESSAVG: 1811000 39.588 4.02392 6.77092 4.02396 2.33421 20.7888 6.77093 20.7888 -2.15809 GPRESSAVG: 1811000 38.3307 2.73586 4.91272 3.80046 4.10974 20.4161 8.55034 19.8993 -3.24829 TIMING: 1811000 CPU: 5658.47, 0.00311819/step Wall: 5658.47, 0.00311819/step, 2.7622 hours remaining, 234.457031 MB of memory in use. ENERGY: 1811000 3959.8730 20441.2353 14421.1853 230.3278 -203075.4833 2657.2734 0.0000 0.0000 51990.3184 -109375.2700 298.7891 -161365.5884 -109013.9101 299.2942 -97.8339 -66.8235 764350.9391 13.2547 13.0641 PRESSURE: 1811200 131.853 -122.044 380.891 -122.043 -164.306 -68.044 380.89 -68.0436 184.678 GPRESSURE: 1811200 191.771 -105.299 341.104 -162.507 -135.324 -58.4816 359.572 -109.466 178.796 PRESSAVG: 1811200 -27.6219 -5.28144 35.639 -5.2814 0.431953 38.6092 35.639 38.6091 -6.86247 GPRESSAVG: 1811200 -26.979 -4.67814 36.3626 -5.9011 -1.20149 37.8981 32.251 40.1537 -6.55287 TIMING: 1811200 CPU: 5659.09, 0.00312127/step Wall: 5659.09, 0.00312127/step, 2.76475 hours remaining, 234.457031 MB of memory in use. ENERGY: 1811200 4005.0406 20411.2647 14481.4029 251.0395 -203145.9517 2677.5168 0.0000 0.0000 51929.2287 -109390.4586 298.4380 -161319.6873 -109031.2306 298.7391 50.7417 78.4141 762729.4994 -11.3508 -11.5778 PRESSURE: 1811400 41.0771 -73.0933 145.576 -73.0939 -368.094 24.0478 145.577 24.0473 53.1059 GPRESSURE: 1811400 28.1975 -42.4525 178.137 -88.3065 -283.048 -14.7676 47.2192 48.2503 56.974 PRESSAVG: 1811400 59.4542 34.1666 46.9139 34.1666 -59.8008 4.50472 46.9139 4.50476 0.549313 GPRESSAVG: 1811400 59.39 33.5325 46.6335 35.2601 -60.2427 3.93563 50.7416 2.11579 0.93984 TIMING: 1811400 CPU: 5659.71, 0.00312348/step Wall: 5659.71, 0.00312348/step, 2.76654 hours remaining, 234.457031 MB of memory in use. ENERGY: 1811400 3899.4267 20538.0519 14512.0771 248.4443 -202977.4309 2665.7268 0.0000 0.0000 51621.7268 -109491.9774 296.6708 -161113.7042 -109142.8274 299.1490 -91.3036 -65.9587 763976.0046 0.0676 0.0291 PRESSURE: 1811600 -288.849 -110.809 75.3831 -110.809 -203.102 116.652 75.383 116.652 -48.96 GPRESSURE: 1811600 -250.475 -162.23 26.4869 -164.217 -184.274 152.468 94.657 102.801 -15.0878 PRESSAVG: 1811600 53.6639 -29.344 -5.18563 -29.3439 -70.0811 15.5223 -5.18563 15.5223 9.3546 GPRESSAVG: 1811600 52.9704 -27.355 -6.11471 -32.232 -69.4663 15.8545 -5.59894 19.1217 9.07577 TIMING: 1811600 CPU: 5660.34, 0.00314083/step Wall: 5660.34, 0.00314082/step, 2.78172 hours remaining, 234.457031 MB of memory in use. ENERGY: 1811600 3946.5639 20432.3437 14432.9205 244.7153 -202924.2192 2483.0144 0.0000 0.0000 51943.6678 -109440.9936 298.5210 -161384.6614 -109076.9721 298.7943 -180.3036 -149.9459 764167.7889 -2.3542 -2.4734 PRESSURE: 1811800 -254.044 330.073 -139.65 330.073 -38.1975 -42.6422 -139.65 -42.6414 54.4106 GPRESSURE: 1811800 -192.559 341.839 -120.74 331.527 -50.1132 40.8625 -268.614 -88.6626 91.0885 PRESSAVG: 1811800 0.256504 4.66518 50.6502 4.66518 -5.5 52.0528 50.6501 52.0529 -12.4664 GPRESSAVG: 1811800 1.19449 2.88935 51.0346 7.12191 -5.44383 52.1606 49.486 49.5565 -13.0859 TIMING: 1811800 CPU: 5660.97, 0.00313044/step Wall: 5660.97, 0.00313044/step, 2.77235 hours remaining, 234.457031 MB of memory in use. ENERGY: 1811800 3929.2298 20444.6683 14403.2619 243.7917 -202777.2686 2484.6495 0.0000 0.0000 51938.1016 -109333.5658 298.4890 -161271.6674 -108970.1970 298.4352 -79.2769 -50.5280 762930.2047 -5.9033 -5.7784 PRESSURE: 1812000 -109.935 -11.5324 52.7892 -11.531 205.632 -153.634 52.7894 -153.634 -38.5536 GPRESSURE: 1812000 -82.2527 94.0233 30.7117 -77.5937 260.39 -166.792 130.676 70.7287 -22.5457 PRESSAVG: 1812000 12.8514 -20.9893 -34.4602 -20.9893 -27.6505 36.0753 -34.4602 36.0753 7.28802 GPRESSAVG: 1812000 12.1238 -20.5639 -32.2241 -21.907 -25.9582 37.4131 -35.7378 36.6525 6.92133 TIMING: 1812000 CPU: 5661.59, 0.00312116/step Wall: 5661.59, 0.00312116/step, 2.76396 hours remaining, 234.457031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1812000 4006.2429 20473.4326 14427.8493 236.6392 -202999.4231 2680.6494 0.0000 0.0000 52150.5324 -109024.0774 299.7098 -161174.6098 -108665.3257 299.1038 19.0478 51.8640 762327.9292 -2.5037 -2.3044 PRESSURE: 1812200 40.0873 83.1701 134.02 83.171 191.625 195.459 134.02 195.459 507.966 GPRESSURE: 1812200 133.403 13.8367 113.169 188.165 238.315 135.072 100.516 76.142 478.57 PRESSAVG: 1812200 -5.25072 -27.2923 33.7854 -27.2923 29.4857 9.22039 33.7855 9.22043 -0.810423 GPRESSAVG: 1812200 -5.61365 -28.4113 32.46 -27.076 28.9478 8.30001 35.0239 9.28077 -0.156803 TIMING: 1812200 CPU: 5662.22, 0.00312421/step Wall: 5662.22, 0.00312421/step, 2.76648 hours remaining, 234.457031 MB of memory in use. ENERGY: 1812200 3888.8737 20541.6218 14532.1692 262.5749 -202835.3642 2477.8548 0.0000 0.0000 52243.5920 -108888.6776 300.2446 -161132.2697 -108534.6239 299.8625 246.5594 283.4293 761184.9874 7.8082 7.7258 LDB: ============= START OF LOAD BALANCING ============== 5674.7 LDB: ============== END OF LOAD BALANCING =============== 5674.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5674.7 LDB: ============= START OF LOAD BALANCING ============== 5675.01 LDB: Largest compute 6998 load 0.029332 is 15.0% of average load 0.195019 LDB: Average compute 0.004414 is 2.3% of average load 0.195019 LDB: TIME 5675.01 LOAD: AVG 0.195019 MAX 0.214287 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 5675.02 LOAD: AVG 0.195019 MAX 0.214287 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.457 MB LDB: TIME 5675.02 LOAD: AVG 0.195019 MAX 0.214287 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.457 MB LDB: ============== END OF LOAD BALANCING =============== 5675.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5675.02 PRESSURE: 1812400 -120.781 176.847 382.312 176.846 134.08 -8.23051 382.312 -8.22974 201.947 GPRESSURE: 1812400 -78.8583 119.787 364.981 121.168 127.301 90.0477 306.858 -77.876 244.973 PRESSAVG: 1812400 53.5318 -4.74745 33.8185 -4.74741 5.85102 -28.3643 33.8184 -28.3644 -24.1352 GPRESSAVG: 1812400 53.8385 -4.73479 33.281 -3.71927 4.14093 -28.5142 33.9715 -26.9641 -23.8837 TIMING: 1812400 CPU: 5662.86, 0.00319383/step Wall: 5662.86, 0.00319383/step, 2.82796 hours remaining, 233.742188 MB of memory in use. ENERGY: 1812400 3943.7661 20592.1849 14437.0286 249.6143 -202750.0116 2524.4593 0.0000 0.0000 52122.3102 -108880.6481 299.5476 -161002.9584 -108530.4868 299.8912 71.7485 97.8053 761908.2328 11.7492 11.3653 PRESSURE: 1812600 -339.441 117.623 302.79 117.622 283.392 -38.3165 302.789 -38.3165 -84.9846 GPRESSURE: 1812600 -202.82 2.1923 272.105 174.731 216.962 -47.8473 247.434 -63.0477 -79.8552 PRESSAVG: 1812600 -66.1754 24.3699 40.6135 24.3698 -9.19229 -33.8329 40.6135 -33.8329 -9.77964 GPRESSAVG: 1812600 -66.2177 26.1394 41.2725 22.0555 -8.65448 -33.4528 38.2151 -35.6286 -10.7532 TIMING: 1812600 CPU: 5663.48, 0.00312876/step Wall: 5663.48, 0.00312876/step, 2.77017 hours remaining, 233.742188 MB of memory in use. ENERGY: 1812600 3916.0236 20561.8176 14497.7699 246.3550 -202868.5778 2583.2622 0.0000 0.0000 52079.9002 -108983.4493 299.3039 -161063.3496 -108623.4213 299.3565 -47.0111 -21.9045 764240.9665 -28.3825 -28.5418 PRESSURE: 1812800 52.952 -28.9158 -171.707 -28.9155 -272.361 46.721 -171.707 46.7213 -501.656 GPRESSURE: 1812800 122.096 -6.01263 -122.962 -62.7799 -259.823 56.801 -111.276 57.9067 -493.383 PRESSAVG: 1812800 -23.6004 7.06917 41.1322 7.06911 -11.3434 -48.483 41.1322 -48.4831 21.6238 GPRESSAVG: 1812800 -22.4182 5.52607 40.5366 9.20463 -12.3523 -49.3997 44.4512 -47.2918 22.06 TIMING: 1812800 CPU: 5664.11, 0.00312333/step Wall: 5664.11, 0.00312333/step, 2.76519 hours remaining, 233.742188 MB of memory in use. ENERGY: 1812800 4001.3285 20548.1297 14494.8169 247.5734 -202671.0519 2376.4053 0.0000 0.0000 52048.4023 -108954.3959 299.1229 -161002.7981 -108599.1083 299.4073 -240.3550 -210.3700 763010.8611 -4.4400 -4.2368 PRESSURE: 1813000 299.67 -125.424 215.546 -125.424 -479.797 -140.138 215.546 -140.138 257.598 GPRESSURE: 1813000 212.036 -148.844 74.4613 -135.704 -367.199 -51.14 199.228 -227.567 327.09 PRESSAVG: 1813000 42.8606 -0.30413 51.7855 -0.304118 32.0686 -35.7433 51.7855 -35.7433 -22.0345 GPRESSAVG: 1813000 42.1108 -0.213572 52.4121 -0.531878 32.8506 -35.9175 49.3142 -35.6747 -21.875 TIMING: 1813000 CPU: 5664.73, 0.00312068/step Wall: 5664.73, 0.00312067/step, 2.76266 hours remaining, 233.742188 MB of memory in use. ENERGY: 1813000 3982.3636 20376.1577 14554.5227 242.0857 -202768.3652 2736.8794 0.0000 0.0000 52189.0461 -108687.3099 299.9312 -160876.3561 -108327.2276 300.0574 25.8234 57.3089 761959.2950 17.6316 17.6955 PRESSURE: 1813200 -271.437 -74.8821 76.7869 -74.8825 61.3613 -49.9515 76.7878 -49.9511 181.334 GPRESSURE: 1813200 -242.245 -95.2774 63.0701 -92.1942 100.37 18.8226 -80.5528 -113.603 199.074 PRESSAVG: 1813200 -13.2251 -32.2235 -50.312 -32.2235 -3.38042 -35.7062 -50.3119 -35.7061 -10.1051 GPRESSAVG: 1813200 -13.5862 -31.681 -51.4313 -32.2393 -2.36527 -33.2974 -48.8086 -37.354 -10.7923 TIMING: 1813200 CPU: 5665.36, 0.00312372/step Wall: 5665.36, 0.00312372/step, 2.76519 hours remaining, 233.742188 MB of memory in use. ENERGY: 1813200 3924.7409 20616.3487 14491.3774 250.4104 -202448.8743 2408.5049 0.0000 0.0000 52076.8510 -108680.6411 299.2864 -160757.4920 -108313.6199 300.2456 -9.5804 19.0665 762978.2393 -8.9036 -8.9146 PRESSURE: 1813400 -14.2796 -22.7552 152.343 -22.7547 -52.6533 63.8013 152.342 63.8 26.8142 GPRESSURE: 1813400 38.8798 53.0102 113.228 -47.5205 -58.2673 123.558 107.127 41.4458 57.19 PRESSAVG: 1813400 -2.36226 -44.168 -11.6901 -44.168 11.2982 -33.8363 -11.6901 -33.8362 1.09989 GPRESSAVG: 1813400 -2.55807 -44.2917 -11.1438 -45.7162 10.5054 -34.4487 -10.4656 -30.8937 2.35868 TIMING: 1813400 CPU: 5665.98, 0.00312759/step Wall: 5665.98, 0.00312759/step, 2.76844 hours remaining, 233.742188 MB of memory in use. ENERGY: 1813400 3974.1975 20599.9799 14398.5862 249.8868 -202517.9452 2531.7125 0.0000 0.0000 52188.0123 -108575.5701 299.9252 -160763.5824 -108205.6284 300.7024 -13.3729 12.6008 763033.7872 3.3453 3.4353 PRESSURE: 1813600 146.8 27.9242 31.0826 27.9246 16.577 37.7084 31.083 37.7086 26.5318 GPRESSURE: 1813600 242.079 94.8894 67.0176 81.0751 44.8884 14.5514 115.517 153.299 -16.1791 PRESSAVG: 1813600 19.0691 -51.8124 58.1574 -51.8125 -10.3625 -7.14245 58.1574 -7.14251 -28.3295 GPRESSAVG: 1813600 19.5692 -52.0424 57.7536 -49.3662 -9.28883 -8.01407 58.0077 -8.4573 -29.3071 TIMING: 1813600 CPU: 5666.61, 0.00312352/step Wall: 5666.61, 0.00312352/step, 2.76466 hours remaining, 233.742188 MB of memory in use. ENERGY: 1813600 3997.1428 20539.8547 14421.4972 243.8726 -203028.9997 2972.7108 0.0000 0.0000 52284.4772 -108569.4444 300.4796 -160853.9217 -108197.9744 300.9909 63.3030 90.2628 761975.9693 -6.5410 -6.3422 PRESSURE: 1813800 -188.545 -121.395 -79.2144 -121.395 -125.47 -188.499 -79.2149 -188.498 -223.194 GPRESSURE: 1813800 -263.289 -135.86 -42.364 -92.4596 -87.873 -210.168 -113.107 -166.042 -105.189 PRESSAVG: 1813800 17.5124 -20.1096 1.01513 -20.1096 -17.7005 -26.9452 1.01519 -26.9453 17.7074 GPRESSAVG: 1813800 17.3359 -20.7733 0.68417 -21.0877 -18.7125 -28.5252 1.86824 -26.1182 18.1841 TIMING: 1813800 CPU: 5667.23, 0.00311167/step Wall: 5667.23, 0.00311167/step, 2.754 hours remaining, 233.742188 MB of memory in use. ENERGY: 1813800 4058.9117 20487.5722 14438.3225 265.6412 -202571.5744 2477.4143 0.0000 0.0000 52136.4837 -108707.2287 299.6291 -160843.7124 -108336.5077 300.5581 -179.0697 -152.1171 763767.2310 5.8397 5.6025 PRESSURE: 1814000 -38.5363 -33.2336 -67.8675 -33.2346 -104.294 -61.2763 -67.8673 -61.2764 -380.029 GPRESSURE: 1814000 -12.8769 -16.7182 3.12381 -42.355 -39.3785 -104.452 -56.5431 -90.4785 -388.345 PRESSAVG: 1814000 -14.7042 -16.5826 13.2459 -16.5828 -10.2938 -34.8261 13.2459 -34.8261 -14.3693 GPRESSAVG: 1814000 -15.1484 -17.0761 14.5674 -17.0174 -9.01549 -33.4069 11.6776 -35.7094 -14.8792 TIMING: 1814000 CPU: 5667.85, 0.00310606/step Wall: 5667.85, 0.00310606/step, 2.74886 hours remaining, 233.742188 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: 1814000 4056.2737 20420.0709 14424.0892 270.3362 -202606.9614 2445.6712 0.0000 0.0000 52329.5062 -108661.0140 300.7384 -160990.5202 -108283.6129 300.1025 -174.2864 -146.8669 764168.0631 -13.1224 -13.0144 PRESSURE: 1814200 127.471 -33.3017 -193.453 -33.3021 -204.804 270.099 -193.454 270.098 -15.2294 GPRESSURE: 1814200 123.673 -108.526 -166.536 -7.372 -152.685 299.504 -128.712 311.893 36.1075 PRESSAVG: 1814200 20.8894 -3.61666 47.6525 -3.61665 -42.737 22.3676 47.6526 22.3676 11.9995 GPRESSAVG: 1814200 21.1949 -3.32416 46.9466 -1.49183 -43.1841 23.4138 47.8416 23.4069 12.1028 TIMING: 1814200 CPU: 5668.47, 0.0031119/step Wall: 5668.47, 0.0031119/step, 2.75386 hours remaining, 233.742188 MB of memory in use. ENERGY: 1814200 4006.8763 20490.7505 14347.8753 245.6186 -202421.3515 2474.9692 0.0000 0.0000 52031.3770 -108823.8846 299.0250 -160855.2616 -108463.7940 299.7468 -30.8542 2.3652 762396.9494 -3.2827 -3.2955 PRESSURE: 1814400 -215.336 -8.27125 -59.2914 -8.27139 -360.842 61.9221 -59.2913 61.9213 -26.1645 GPRESSURE: 1814400 -227.673 42.2504 -102.709 56.1198 -295.847 162.8 -36.6378 25.005 4.83479 PRESSAVG: 1814400 38.7239 24.8231 5.75595 24.8231 10.9265 -5.36003 5.75596 -5.36003 -14.5551 GPRESSAVG: 1814400 37.9616 25.5075 4.6335 23.9324 10.5969 -6.68292 8.10995 -4.63109 -13.3562 TIMING: 1814400 CPU: 5669.1, 0.00312494/step Wall: 5669.1, 0.00312494/step, 2.76522 hours remaining, 233.742188 MB of memory in use. ENERGY: 1814400 4009.8338 20490.1621 14413.9091 260.6003 -202342.2015 2287.9680 0.0000 0.0000 52141.8604 -108737.8678 299.6600 -160879.7282 -108377.4907 299.7963 -200.7809 -172.8949 762379.9666 11.6984 11.7341 PRESSURE: 1814600 13.3749 -77.3026 83.68 -77.3029 -471.944 -162.918 83.6798 -162.918 -83.5917 GPRESSURE: 1814600 29.1557 10.0055 112.104 6.50127 -423.648 -270.919 48.6093 -153.25 -80.0715 PRESSAVG: 1814600 54.3747 -17.0209 -50.959 -17.0209 -29.8723 9.7026 -50.9591 9.70262 5.79885 GPRESSAVG: 1814600 54.2293 -17.6637 -50.2708 -18.5838 -29.8544 10.7518 -52.6387 6.19577 5.86854 TIMING: 1814600 CPU: 5669.73, 0.00315364/step Wall: 5669.73, 0.00315365/step, 2.79045 hours remaining, 233.742188 MB of memory in use. ENERGY: 1814600 4066.3362 20379.0537 14484.8004 257.7487 -202440.0079 2367.3164 0.0000 0.0000 52344.1268 -108540.6257 300.8224 -160884.7525 -108173.6036 300.3795 -180.7202 -158.1879 762958.8788 10.1004 10.0811 PRESSURE: 1814800 -351.591 89.7639 -58.5813 89.764 -230.004 69.2295 -58.5817 69.2299 2.52468 GPRESSURE: 1814800 -340.361 -3.35072 -87.6955 61.7382 -116.253 15.1183 14.4886 109.677 -45.1266 PRESSAVG: 1814800 41.7156 31.2221 -3.16201 31.2221 26.4344 12.2416 -3.16196 12.2416 21.087 GPRESSAVG: 1814800 41.1639 31.433 -2.94417 31.1568 27.0531 10.9961 -2.47822 14.4756 21.1335 TIMING: 1814800 CPU: 5670.35, 0.00313428/step Wall: 5670.35, 0.00313428/step, 2.77314 hours remaining, 233.742188 MB of memory in use. ENERGY: 1814800 4020.1259 20426.0463 14469.8535 229.3440 -202493.4897 2526.2047 0.0000 0.0000 52357.5011 -108464.4141 300.8993 -160821.9152 -108094.7001 300.7774 -193.0233 -167.2467 763286.8000 29.7457 29.7835 PRESSURE: 1815000 128.132 -92.9091 248.781 -92.9095 -354.737 -252.343 248.78 -252.342 -39.469 GPRESSURE: 1815000 113.174 -162.655 118.051 55.3438 -321.86 -284.004 155.194 -183.762 37.2392 PRESSAVG: 1815000 -22.7263 -24.3179 52.0124 -24.318 -2.83228 36.6214 52.0124 36.6215 11.8945 GPRESSAVG: 1815000 -22.9748 -24.6755 51.9922 -22.1208 -1.70531 37.2674 50.2088 36.1985 11.1287 TIMING: 1815000 CPU: 5670.98, 0.00312119/step Wall: 5670.98, 0.00312119/step, 2.76138 hours remaining, 233.742188 MB of memory in use. ENERGY: 1815000 4002.8723 20534.7532 14469.7115 246.2706 -202388.3892 2450.1883 0.0000 0.0000 52217.4486 -108467.1448 300.0944 -160684.5934 -108106.1187 300.9435 -88.6914 -57.1489 764399.0919 -4.5547 -4.5171 PRESSURE: 1815200 -535.272 165.31 -68.6129 165.309 -60.2141 -64.5696 -68.6118 -64.5697 -82.066 GPRESSURE: 1815200 -490.876 227.891 -112.554 155.047 -63.8076 -105.836 2.56162 -135.775 -29.4359 PRESSAVG: 1815200 26.6059 -40.9711 3.16414 -40.9711 -45.5818 -30.3292 3.16413 -30.3292 2.75415 GPRESSAVG: 1815200 28.3112 -39.9184 2.00324 -41.2381 -46.3488 -30.0118 4.7741 -30.1626 2.20461 TIMING: 1815200 CPU: 5671.61, 0.00313581/step Wall: 5671.61, 0.00313581/step, 2.77415 hours remaining, 233.742188 MB of memory in use. ENERGY: 1815200 4012.2013 20573.1318 14449.0344 252.9816 -202590.5770 2504.8438 0.0000 0.0000 52316.3708 -108482.0134 300.6629 -160798.3842 -108112.6040 300.8042 -225.8508 -194.7066 763162.1438 -5.4072 -5.2777 PRESSURE: 1815400 -61.2347 58.925 -90.8308 58.9249 -40.362 -148.235 -90.8312 -148.236 -158.067 GPRESSURE: 1815400 -30.1419 -36.5989 10.7809 46.9173 -12.1282 -101.866 -107.295 -66.6274 -142.553 PRESSAVG: 1815400 36.6451 5.382 49.1725 5.382 21.4726 6.29792 49.1725 6.2979 -3.31889 GPRESSAVG: 1815400 36.5183 4.03939 51.6068 4.70437 21.5947 5.27666 48.1153 5.57972 -3.75807 TIMING: 1815400 CPU: 5672.23, 0.00311695/step Wall: 5672.23, 0.00311695/step, 2.75729 hours remaining, 233.742188 MB of memory in use. ENERGY: 1815400 4014.3010 20573.8662 14355.6905 229.4808 -202520.9321 2534.1831 0.0000 0.0000 52255.6630 -108557.7475 300.3140 -160813.4105 -108191.1448 300.8720 -86.5544 -61.6076 762974.9728 18.2663 18.1183 PRESSURE: 1815600 158.381 166.59 -61.078 166.59 10.9006 291.585 -61.0779 291.586 223.025 GPRESSURE: 1815600 162.116 77.6953 -84.6015 226.674 67.8091 258.961 -37.0977 167.427 254.608 PRESSAVG: 1815600 -8.1066 -32.7713 -19.1943 -32.7713 -32.3298 -24.2092 -19.1942 -24.2092 -0.985009 GPRESSAVG: 1815600 -8.0068 -32.698 -20.9045 -32.7511 -33.5836 -23.184 -18.7837 -24.13 0.330754 TIMING: 1815600 CPU: 5672.86, 0.0031347/step Wall: 5672.86, 0.0031347/step, 2.77282 hours remaining, 233.742188 MB of memory in use. ENERGY: 1815600 3889.4470 20443.0655 14422.6014 262.0981 -202567.8529 2626.0558 0.0000 0.0000 52248.3333 -108676.2518 300.2719 -160924.5851 -108306.5270 300.1973 130.7689 161.5113 763166.4432 -13.8071 -13.7532 PRESSURE: 1815800 195.323 254.216 40.8312 254.216 289.316 135.697 40.8311 135.697 -33.5889 GPRESSURE: 1815800 248.839 212.275 79.066 206.713 242.663 153.553 87.9876 138.727 57.0248 PRESSAVG: 1815800 61.149 -18.906 28.817 -18.906 -10.9779 -23.0013 28.817 -23.0012 31.9165 GPRESSAVG: 1815800 61.0007 -18.3515 30.5569 -19.5911 -10.9637 -23.1065 28.2481 -24.8275 31.9525 TIMING: 1815800 CPU: 5673.48, 0.00312487/step Wall: 5673.48, 0.00312487/step, 2.76395 hours remaining, 233.742188 MB of memory in use. ENERGY: 1815800 3983.3786 20418.6478 14365.6917 265.3091 -203029.8923 2881.1667 0.0000 0.0000 52173.4218 -108942.2766 299.8414 -161115.6984 -108584.6879 299.9121 150.3499 182.8422 761353.3924 27.3625 27.3298 PRESSURE: 1816000 -8.48033 27.525 46.0719 27.5237 -212.614 176.434 46.0721 176.434 -146.67 GPRESSURE: 1816000 36.3754 20.3393 -9.85128 72.3709 -149.151 95.159 -44.3785 168.325 -173.125 PRESSAVG: 1816000 11.019 2.35252 31.1303 2.35255 -69.8441 -17.7396 31.1303 -17.7396 -12.8882 GPRESSAVG: 1816000 10.347 3.00474 30.0604 3.01326 -68.5924 -18.9142 30.9246 -14.7828 -13.368 TIMING: 1816000 CPU: 5674.11, 0.00313409/step Wall: 5674.11, 0.00313409/step, 2.77192 hours remaining, 233.742188 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: 1816000 4011.3347 20422.1090 14375.1606 243.6647 -202664.0325 2506.1273 0.0000 0.0000 52239.0231 -108866.6131 300.2184 -161105.6363 -108518.1801 299.5744 -122.5882 -95.3001 763340.9613 -23.9044 -23.8711 PRESSURE: 1816200 -99.1221 115.709 -109.279 115.709 -123.732 -96.8141 -109.278 -96.814 40.9609 GPRESSURE: 1816200 33.5542 123.323 -94.0166 101.184 -90.6673 -129.213 -244.884 97.8063 -41.3099 PRESSAVG: 1816200 -35.5242 47.5368 -30.6705 47.5368 82.3608 -27.3591 -30.6705 -27.3592 -5.09975 GPRESSAVG: 1816200 -35.0912 48.5094 -29.8838 46.3015 82.6651 -26.694 -31.0983 -27.3907 -6.06753 TIMING: 1816200 CPU: 5674.73, 0.00311089/step Wall: 5674.73, 0.00311089/step, 2.75124 hours remaining, 233.742188 MB of memory in use. ENERGY: 1816200 4053.8292 20401.1371 14404.9102 249.7373 -203007.3670 2872.2333 0.0000 0.0000 52230.7997 -108794.7201 300.1711 -161025.5198 -108422.9967 299.9628 -60.6312 -32.8077 762101.5911 13.9123 13.8355 LDB: ============= START OF LOAD BALANCING ============== 5687.21 LDB: ============== END OF LOAD BALANCING =============== 5687.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5687.21 LDB: ============= START OF LOAD BALANCING ============== 5687.52 LDB: Largest compute 6998 load 0.029241 is 15.0% of average load 0.194996 LDB: Average compute 0.004412 is 2.3% of average load 0.194996 LDB: TIME 5687.52 LOAD: AVG 0.194996 MAX 0.21382 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.742 MB LDB: TIME 5687.52 LOAD: AVG 0.194996 MAX 0.21382 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.742 MB LDB: TIME 5687.52 LOAD: AVG 0.194996 MAX 0.21382 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.742 MB LDB: ============== END OF LOAD BALANCING =============== 5687.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5687.53 PRESSURE: 1816400 -178.209 163.323 158.694 163.324 -177.553 -45.4303 158.694 -45.4315 -17.1119 GPRESSURE: 1816400 -72.5453 160.512 237.492 66.7192 -199.057 -127.381 89.324 -177.004 -1.85893 PRESSAVG: 1816400 5.80077 -4.84497 -23.0461 -4.84493 -0.347684 10.9769 -23.046 10.9769 -10.422 GPRESSAVG: 1816400 5.77214 -5.82688 -25.1464 -4.32227 -1.66617 12.1487 -19.7711 10.5269 -9.03133 TIMING: 1816400 CPU: 5675.37, 0.00317617/step Wall: 5675.37, 0.00317617/step, 2.8088 hours remaining, 234.253906 MB of memory in use. ENERGY: 1816400 4056.7196 20510.1495 14379.5590 245.9349 -202642.7840 2521.2644 0.0000 0.0000 51994.9844 -108934.1722 298.8159 -160929.1566 -108577.0271 299.4130 -124.2911 -91.1537 763439.5250 -1.6563 -1.6418 PRESSURE: 1816600 160.079 75.9449 -260.941 75.9443 25.3796 399.798 -260.941 399.798 -17.1995 GPRESSURE: 1816600 160.328 95.3222 -226.033 116.308 121.07 370.51 -207.982 297.545 -24.2826 PRESSAVG: 1816600 -40.1287 -1.97801 2.57016 -1.97801 -9.91023 -0.428943 2.57008 -0.428821 -1.70877 GPRESSAVG: 1816600 -40.597 -1.80032 3.62002 -1.47683 -9.59624 -0.898506 0.619056 -3.5063 -1.56393 TIMING: 1816600 CPU: 5675.99, 0.00312813/step Wall: 5675.99, 0.00312813/step, 2.76614 hours remaining, 234.253906 MB of memory in use. ENERGY: 1816600 3955.6292 20371.3826 14349.8209 239.4021 -202984.4526 2656.7131 0.0000 0.0000 52243.0921 -109168.4125 300.2418 -161411.5046 -108801.3439 299.2589 56.0865 85.7050 762070.0147 -17.2492 -17.2524 PRESSURE: 1816800 -19.8293 145.842 -124.204 145.842 -230.326 -149.092 -124.204 -149.092 -409.404 GPRESSURE: 1816800 27.2391 148.339 -58.6736 101.901 -272.123 -51.5716 -46.9253 -206.889 -331.416 PRESSAVG: 1816800 69.7819 20.8673 26.6285 20.8673 -24.4405 23.8077 26.6285 23.8076 9.66382 GPRESSAVG: 1816800 69.528 21.3506 27.231 20.0808 -23.5996 24.9542 27.8034 25.4934 8.17 TIMING: 1816800 CPU: 5676.62, 0.00313584/step Wall: 5676.62, 0.00313584/step, 2.77278 hours remaining, 234.253906 MB of memory in use. ENERGY: 1816800 3986.6300 20430.3447 14448.0410 228.6143 -203007.2468 2548.8792 0.0000 0.0000 52154.0639 -109210.6738 299.7301 -161364.7376 -108839.4078 298.9619 -219.8529 -192.0999 762623.4865 18.3351 18.0328 PRESSURE: 1817000 -22.8228 -36.9816 -73.7685 -36.9823 -37.1502 52.7549 -73.7689 52.7544 312.964 GPRESSURE: 1817000 94.8422 -46.7605 -42.7251 -12.1324 10.7254 42.5471 -89.5142 -35.5408 245.865 PRESSAVG: 1817000 -0.496025 -15.0541 2.67152 -15.0541 12.6894 27.6731 2.67154 27.6732 15.9747 GPRESSAVG: 1817000 0.19888 -15.9178 1.65714 -15.6028 11.8022 27.4541 2.84272 28.6436 16.7809 TIMING: 1817000 CPU: 5677.24, 0.00312556/step Wall: 5677.24, 0.00312556/step, 2.76352 hours remaining, 234.253906 MB of memory in use. ENERGY: 1817000 4027.5265 20372.1679 14377.9059 246.7944 -202799.4435 2617.9185 0.0000 0.0000 52078.8833 -109078.2469 299.2981 -161157.1302 -108709.1679 299.0160 84.3302 117.1443 763062.0903 9.3894 9.5940 PRESSURE: 1817200 179.332 -108.439 194.127 -108.438 -2.65413 103.535 194.127 103.536 20.0884 GPRESSURE: 1817200 166.657 -192.234 244.977 -27.0246 139.923 23.0983 54.8039 71.0742 -25.1752 PRESSAVG: 1817200 11.113 -37.7927 54.4651 -37.7926 18.2082 -34.0105 54.4652 -34.0104 -22.6379 GPRESSAVG: 1817200 11.8313 -35.4199 54.221 -38.5385 18.7262 -36.1719 53.6549 -33.1072 -22.9723 TIMING: 1817200 CPU: 5677.87, 0.00312109/step Wall: 5677.87, 0.00312109/step, 2.75939 hours remaining, 234.253906 MB of memory in use. ENERGY: 1817200 3958.4237 20438.7266 14443.2317 259.9472 -202794.6235 2561.3248 0.0000 0.0000 52095.6118 -109037.3579 299.3942 -161132.9697 -108669.3538 299.2392 65.5889 93.8017 763348.1496 2.2278 2.5284 PRESSURE: 1817400 -90.6217 99.2922 -225.916 99.2927 93.4033 97.9173 -225.916 97.9171 5.82533 GPRESSURE: 1817400 -120.261 103.742 -214.723 2.80148 156.646 136.06 -236.715 91.2439 37.8288 PRESSAVG: 1817400 22.9784 5.65639 -41.6054 5.65635 -5.04292 23.0146 -41.6054 23.0147 -17.1858 GPRESSAVG: 1817400 21.8513 4.72571 -39.515 7.50972 -5.52738 23.1249 -42.2942 22.9138 -15.9338 TIMING: 1817400 CPU: 5678.49, 0.00312937/step Wall: 5678.49, 0.00312937/step, 2.76654 hours remaining, 234.253906 MB of memory in use. ENERGY: 1817400 4012.8380 20382.3114 14417.6566 249.0786 -202665.1970 2526.5239 0.0000 0.0000 52104.3650 -108972.4234 299.4445 -161076.7884 -108614.3473 299.1871 2.8690 24.7378 765230.3703 0.2499 0.1300 PRESSURE: 1817600 25.8182 -76.6567 177.569 -76.6565 -1.47082 -81.0492 177.569 -81.0487 -29.3611 GPRESSURE: 1817600 138.871 -39.9727 260.643 -134.066 -29.9411 -80.7746 60.981 -112.502 -25.9793 PRESSAVG: 1817600 20.6259 0.318505 -54.5833 0.318466 -18.4976 -12.8298 -54.5834 -12.8298 -11.2166 GPRESSAVG: 1817600 21.5072 2.24154 -56.7012 -0.61386 -18.1805 -10.5206 -54.8837 -13.6686 -12.2688 TIMING: 1817600 CPU: 5679.12, 0.00311827/step Wall: 5679.12, 0.00311827/step, 2.75655 hours remaining, 234.253906 MB of memory in use. ENERGY: 1817600 4010.8166 20334.1070 14426.9380 251.6771 -203131.2835 2860.0762 0.0000 0.0000 52244.2314 -109003.4373 300.2483 -161247.6687 -108639.5491 299.2661 -1.6712 27.6503 764239.6520 -3.0294 -2.9807 PRESSURE: 1817800 -94.2096 52.3987 -61.9055 52.3988 -207.816 -262.515 -61.9047 -262.514 -448.122 GPRESSURE: 1817800 -118.223 37.6887 -44.8026 -60.2345 -91.3907 -145.877 -80.6245 -459.835 -449.285 PRESSAVG: 1817800 -21.8308 -6.52403 9.71052 -6.52401 15.2859 -5.76602 9.71053 -5.76609 14.5435 GPRESSAVG: 1817800 -22.4697 -6.61636 9.06846 -7.20501 16.1133 -4.75724 12.0542 -5.74569 13.8813 TIMING: 1817800 CPU: 5679.74, 0.00312225/step Wall: 5679.74, 0.00312225/step, 2.7599 hours remaining, 234.253906 MB of memory in use. ENERGY: 1817800 4068.9281 20473.5695 14374.7332 223.0459 -202327.4933 2410.5997 0.0000 0.0000 52015.7239 -108760.8930 298.9351 -160776.6169 -108408.3492 298.9899 -250.0494 -219.6329 763784.0400 2.6662 2.5083 PRESSURE: 1818000 152.718 -47.9456 123.542 -47.9452 81.8915 -13.8643 123.542 -13.8639 -31.4606 GPRESSURE: 1818000 182.612 -147.464 156.004 -98.0045 153.388 -162.566 45.5692 75.0667 -40.2282 PRESSAVG: 1818000 -24.4448 -7.50987 -18.3263 -7.50985 32.8268 -23.3671 -18.3262 -23.3671 -19.5782 GPRESSAVG: 1818000 -24.8144 -9.0135 -17.9254 -5.41508 32.0198 -25.0466 -21.5617 -23.4182 -18.791 TIMING: 1818000 CPU: 5680.37, 0.00313017/step Wall: 5680.37, 0.00313016/step, 2.76672 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1818000 4066.3616 20515.8212 14424.1635 251.4127 -202616.9676 2610.8356 0.0000 0.0000 52020.7888 -108727.5842 298.9642 -160748.3729 -108360.5038 299.7064 67.7164 98.5905 764039.2935 -3.7321 -3.8619 PRESSURE: 1818200 -208.078 115.895 -63.5284 115.895 275.233 82.2009 -63.5289 82.2008 22.1771 GPRESSURE: 1818200 -81.3001 65.776 25.5768 186.814 229.531 130.218 -147.263 -4.35065 37.345 PRESSAVG: 1818200 -9.05448 -4.59795 -0.350404 -4.59792 24.7973 14.2302 -0.350302 14.2302 14.9584 GPRESSAVG: 1818200 -8.01482 -4.28743 1.19476 -4.32976 23.8917 14.6438 0.328777 12.4521 14.5021 TIMING: 1818200 CPU: 5680.99, 0.00313617/step Wall: 5680.99, 0.00313617/step, 2.77185 hours remaining, 234.253906 MB of memory in use. ENERGY: 1818200 3954.8371 20685.1847 14424.5834 241.6908 -202927.2684 2749.3428 0.0000 0.0000 52226.8265 -108644.8030 300.1483 -160871.6296 -108294.1605 300.2384 29.7773 61.8586 764145.1372 10.2337 10.1263 PRESSURE: 1818400 -370.581 -22.2071 -52.3472 -22.2075 -10.3073 -25.4412 -52.3474 -25.4421 -341.128 GPRESSURE: 1818400 -303.449 -81.2443 55.3236 -86.3693 -1.07709 -156.119 -0.439708 17.9733 -343.121 PRESSAVG: 1818400 -26.189 -47.1359 -40.6758 -47.136 18.1453 13.2529 -40.6758 13.253 -20.3187 GPRESSAVG: 1818400 -27.9164 -48.3829 -42.1896 -46.9919 19.1113 12.9796 -38.4567 16.0879 -20.4873 TIMING: 1818400 CPU: 5681.62, 0.0031206/step Wall: 5681.62, 0.0031206/step, 2.75791 hours remaining, 234.253906 MB of memory in use. ENERGY: 1818400 3989.7711 20448.2325 14508.6529 236.3654 -202847.5911 2448.6189 0.0000 0.0000 52382.4970 -108833.4533 301.0429 -161215.9503 -108467.9363 299.9355 -240.6723 -215.8825 763785.5920 -9.4541 -9.7641 PRESSURE: 1818600 109.75 7.10254 65.2778 7.10257 0.0267768 -75.4405 65.278 -75.4402 -361.786 GPRESSURE: 1818600 80.0839 -8.20693 -16.1475 18.9682 55.292 -83.3365 33.0909 -1.71396 -303.609 PRESSAVG: 1818600 -43.0337 0.109617 41.2565 0.109587 34.5967 21.1213 41.2565 21.1213 8.48773 GPRESSAVG: 1818600 -43.4659 1.38523 42.0059 -2.27621 34.3485 19.9004 39.4412 21.1123 9.45756 TIMING: 1818600 CPU: 5682.24, 0.00312424/step Wall: 5682.24, 0.00312424/step, 2.76096 hours remaining, 234.253906 MB of memory in use. ENERGY: 1818600 3951.1230 20626.1283 14389.7750 256.2532 -202957.3131 2540.7356 0.0000 0.0000 52244.5209 -108948.7772 300.2500 -161193.2980 -108578.9267 300.3993 -84.0030 -56.0778 761886.3575 0.0169 0.1134 PRESSURE: 1818800 -379.729 -47.008 68.0864 -47.0079 6.12344 46.5916 68.086 46.5908 221.553 GPRESSURE: 1818800 -305.991 5.10653 -9.27528 50.7609 32.4197 -14.6585 44.0176 -38.4546 211.656 PRESSAVG: 1818800 56.2072 -37.3019 -3.1139 -37.3019 -15.9368 -24.8638 -3.11392 -24.8638 16.9892 GPRESSAVG: 1818800 56.6689 -39.2253 -5.23038 -36.3481 -15.535 -23.8441 -1.81881 -24.2193 15.8529 TIMING: 1818800 CPU: 5682.87, 0.00312406/step Wall: 5682.87, 0.00312406/step, 2.76063 hours remaining, 234.253906 MB of memory in use. ENERGY: 1818800 4022.0549 20616.8125 14354.7237 240.6523 -202921.0176 2650.1038 0.0000 0.0000 52265.8828 -108770.7876 300.3727 -161036.6704 -108417.8308 300.1508 -50.6841 -20.6383 764079.7094 19.0865 18.9956 PRESSURE: 1819000 -39.9457 99.4213 -93.413 99.4219 157.606 196.665 -93.4133 196.665 222.262 GPRESSURE: 1819000 -50.4931 55.043 -13.5565 83.5234 93.5818 204.694 31.7888 147.865 365.044 PRESSAVG: 1819000 23.1854 1.97344 16.5404 1.97347 -31.0022 -6.59833 16.5405 -6.59834 4.86644 GPRESSAVG: 1819000 22.0491 1.45805 18.338 4.13211 -31.2489 -6.52511 14.8108 -7.53993 5.60975 TIMING: 1819000 CPU: 5683.49, 0.00313096/step Wall: 5683.49, 0.00313096/step, 2.76655 hours remaining, 234.253906 MB of memory in use. ENERGY: 1819000 3966.5348 20652.5160 14481.4374 255.9815 -202955.0895 2816.1703 0.0000 0.0000 52034.3341 -108748.1153 299.0420 -160782.4494 -108390.0027 299.7348 113.3077 136.0444 763223.2176 -0.9835 -1.1967 PRESSURE: 1819200 150.694 110.874 30.4105 110.875 34.8513 -170.448 30.4111 -170.45 360.381 GPRESSURE: 1819200 270.243 12.9695 157.137 18.3648 43.9865 -161.869 -17.9629 -216.1 312.07 PRESSAVG: 1819200 46.1146 16.9093 35.2415 16.9093 42.7408 6.18905 35.2415 6.18909 10.6605 GPRESSAVG: 1819200 46.2462 19.0617 36.3004 14.8578 43.228 6.97969 35.9973 5.16234 9.81347 TIMING: 1819200 CPU: 5684.12, 0.00314028/step Wall: 5684.12, 0.00314028/step, 2.77461 hours remaining, 234.253906 MB of memory in use. ENERGY: 1819200 3992.3207 20455.7449 14486.2925 246.4829 -203036.1713 2748.9638 0.0000 0.0000 52229.0526 -108877.3140 300.1611 -161106.3665 -108501.4366 300.1261 181.9757 208.7666 761335.3371 33.1720 33.0959 PRESSURE: 1819400 -199.473 -159.445 -78.8024 -159.445 371.476 -42.5851 -78.8023 -42.5857 -184.865 GPRESSURE: 1819400 -111.294 -239.251 -123.562 -210.384 336.612 -47.078 -49.1722 -54.6847 -133.101 PRESSAVG: 1819400 20.553 -59.9824 -3.2207 -59.9825 5.72281 30.1 -3.22066 30.0999 -6.50602 GPRESSAVG: 1819400 21.4735 -61.7026 -5.27239 -60.906 4.44533 29.4712 -1.96483 30.4838 -6.5331 TIMING: 1819400 CPU: 5684.75, 0.00312332/step Wall: 5684.75, 0.00312332/step, 2.75945 hours remaining, 234.253906 MB of memory in use. ENERGY: 1819400 4001.5017 20523.2104 14419.7588 251.4453 -202790.7531 2485.6761 0.0000 0.0000 52158.5032 -108950.6576 299.7556 -161109.1608 -108575.6805 299.5592 -4.2876 30.7389 762495.9434 6.5899 6.4619 PRESSURE: 1819600 382.497 0.668695 -0.455102 0.668351 -127.311 243.897 -0.455135 243.897 257.665 GPRESSURE: 1819600 402.284 3.30869 -15.0135 -71.6105 -18.6376 207.97 43.5861 129.976 238.717 PRESSAVG: 1819600 -30.3696 -51.8628 21.5629 -51.8628 47.6933 35.7605 21.5629 35.7604 -7.09369 GPRESSAVG: 1819600 -31.1604 -51.8755 23.149 -51.6077 48.7707 33.8559 17.9592 35.412 -7.10775 TIMING: 1819600 CPU: 5685.37, 0.00313827/step Wall: 5685.37, 0.00313827/step, 2.77249 hours remaining, 234.253906 MB of memory in use. ENERGY: 1819600 4056.6255 20628.0079 14387.0337 271.2360 -202968.3567 2608.4364 0.0000 0.0000 52200.1792 -108816.8379 299.9951 -161017.0171 -108461.1030 299.9281 170.9503 207.4545 760563.1068 3.4100 3.5008 PRESSURE: 1819800 323.741 -17.1897 228.239 -17.1898 88.8155 197.248 228.239 197.247 7.15387 GPRESSURE: 1819800 279.921 -102.206 242.729 -41.6643 169.105 130.039 172.25 143.653 75.9584 PRESSAVG: 1819800 -40.0002 -30.3331 -31.8012 -30.3331 18.5511 26.6496 -31.8012 26.6497 -3.77033 GPRESSAVG: 1819800 -40.5711 -29.7462 -31.9994 -30.0855 18.4794 29.0401 -30.4673 25.2552 -2.92492 TIMING: 1819800 CPU: 5686, 0.0031152/step Wall: 5686, 0.0031152/step, 2.75193 hours remaining, 234.253906 MB of memory in use. ENERGY: 1819800 4026.2242 20654.5947 14387.2720 246.4015 -202957.3940 2635.3212 0.0000 0.0000 52158.7858 -108848.7946 299.7573 -161007.5804 -108494.5301 299.3787 139.9036 174.9949 762153.4387 -8.4065 -8.3389 PRESSURE: 1820000 143.334 -18.5062 -20.4412 -18.5055 189.346 5.93261 -20.4415 5.93361 38.1354 GPRESSURE: 1820000 222.059 -4.11644 -3.47776 53.2382 246.671 -0.429853 146.734 131.515 -28.6681 PRESSAVG: 1820000 31.6523 -45.7195 26.384 -45.7194 18.7663 38.9152 26.384 38.9152 4.95496 GPRESSAVG: 1820000 33.1184 -44.9641 24.7063 -46.1034 19.3612 37.4086 29.3704 39.7238 3.87368 TIMING: 1820000 CPU: 5686.62, 0.00312221/step Wall: 5686.62, 0.00312221/step, 2.75795 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1820000 3994.0674 20487.1966 14381.3899 232.1280 -202969.8206 2664.4022 0.0000 0.0000 52383.7642 -108826.8723 301.0502 -161210.6365 -108457.8803 299.8947 123.6052 146.6872 762767.1902 18.4578 18.7844 PRESSURE: 1820200 131.355 -107.527 -114.645 -107.527 -150.635 3.43961 -114.645 3.43942 -517.485 GPRESSURE: 1820200 81.2788 -136.132 -150.726 -82.2446 -116.94 -40.004 -115.823 -44.5014 -406.88 PRESSAVG: 1820200 67.3177 -7.17657 2.70777 -7.17659 -34.6631 33.7027 2.70781 33.7026 -14.9181 GPRESSAVG: 1820200 65.8723 -8.13511 3.66107 -6.95313 -34.459 35.5751 -0.560548 34.6696 -14.2612 TIMING: 1820200 CPU: 5687.25, 0.00311543/step Wall: 5687.25, 0.00311543/step, 2.75179 hours remaining, 234.253906 MB of memory in use. ENERGY: 1820200 4082.1449 20611.1050 14428.0530 253.0290 -202572.4647 2329.1900 0.0000 0.0000 52020.2066 -108848.7362 298.9608 -160868.9427 -108483.5425 300.0954 -178.9217 -147.5138 763634.5403 5.9122 5.7174 LDB: ============= START OF LOAD BALANCING ============== 5699.72 LDB: ============== END OF LOAD BALANCING =============== 5699.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5699.73 LDB: ============= START OF LOAD BALANCING ============== 5700.04 LDB: Largest compute 6998 load 0.029390 is 15.1% of average load 0.194854 LDB: Average compute 0.004456 is 2.3% of average load 0.194854 LDB: TIME 5700.04 LOAD: AVG 0.194854 MAX 0.216189 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.023 MB LDB: TIME 5700.04 LOAD: AVG 0.194854 MAX 0.216189 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.023 MB LDB: TIME 5700.04 LOAD: AVG 0.194854 MAX 0.216189 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.023 MB LDB: ============== END OF LOAD BALANCING =============== 5700.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5700.05 PRESSURE: 1820400 -89.4723 149.795 -51.0948 149.795 -151.941 -167.337 -51.094 -167.337 -20.3241 GPRESSURE: 1820400 -45.9 102.63 -63.3358 164.098 -79.4187 -178.683 -14.5209 -255.218 -44.4646 PRESSAVG: 1820400 55.4746 -56.8576 10.7913 -56.8575 -54.7213 -42.2276 10.7912 -42.2275 3.63729 GPRESSAVG: 1820400 56.5374 -54.9232 11.7753 -56.6577 -55.1785 -43.7784 12.4477 -42.1696 3.34268 TIMING: 1820400 CPU: 5687.88, 0.00319215/step Wall: 5687.88, 0.00319215/step, 2.81938 hours remaining, 234.687500 MB of memory in use. ENERGY: 1820400 4043.8800 20644.5346 14449.5524 263.9965 -202892.0863 2487.6156 0.0000 0.0000 52075.8132 -108926.6940 299.2804 -161002.5072 -108569.1971 299.9657 -87.2458 -56.5944 762430.8107 1.4635 1.5672 PRESSURE: 1820600 -6.76005 -202.406 -149.504 -202.406 -196.875 212.567 -149.503 212.567 167.459 GPRESSURE: 1820600 -26.7294 -128.512 -219.557 -35.5231 -50.1035 229.784 -17.3754 348.952 105.497 PRESSAVG: 1820600 22.9487 -85.621 -1.7824 -85.621 -4.01151 4.54392 -1.78247 4.54389 -10.5391 GPRESSAVG: 1820600 22.9223 -89.6127 -2.7873 -84.6067 -4.21498 6.18211 -2.13107 4.50534 -10.8127 TIMING: 1820600 CPU: 5688.51, 0.00312043/step Wall: 5688.51, 0.00312043/step, 2.75586 hours remaining, 234.886719 MB of memory in use. ENERGY: 1820600 3998.5871 20601.7484 14508.9894 247.4641 -202872.1048 2419.1164 0.0000 0.0000 52233.5176 -108862.6817 300.1867 -161096.1994 -108500.5696 299.5131 -12.0585 9.5549 762670.9273 2.7994 2.6315 PRESSURE: 1820800 -62.8723 -138.724 84.9771 -138.724 -602.727 -70.9333 84.9775 -70.9339 -314.177 GPRESSURE: 1820800 -78.5939 -67.2962 36.1584 -136.339 -595.346 -81.3064 272.254 -124.023 -207.933 PRESSAVG: 1820800 -11.3973 -15.8348 7.42783 -15.8348 32.9325 4.7675 7.42784 4.76746 -17.1888 GPRESSAVG: 1820800 -11.5072 -15.2081 7.3652 -15.6548 31.7789 4.68437 7.73788 3.06829 -15.8328 TIMING: 1820800 CPU: 5689.13, 0.00313194/step Wall: 5689.13, 0.00313194/step, 2.76585 hours remaining, 234.886719 MB of memory in use. ENERGY: 1820800 3937.8494 20711.8117 14407.7171 249.3388 -202329.4859 2136.6642 0.0000 0.0000 52069.4945 -108816.6101 299.2441 -160886.1046 -108446.0904 299.7746 -326.5921 -293.9578 764106.9513 1.4488 1.4796 PRESSURE: 1821000 21.7559 -3.12451 -114.258 -3.1244 355.01 -183.041 -114.259 -183.041 202.12 GPRESSURE: 1821000 88.0841 -36.5971 -246.785 -42.8643 367.156 -176.53 -161.795 -173.243 202.02 PRESSAVG: 1821000 -37.3919 -58.9348 37.7679 -58.9348 18.9821 1.44864 37.7679 1.4487 8.01148 GPRESSAVG: 1821000 -37.8352 -57.5452 36.7391 -61.2954 20.4697 0.840641 38.1022 3.13206 7.40147 TIMING: 1821000 CPU: 5689.76, 0.00312235/step Wall: 5689.76, 0.00312235/step, 2.75721 hours remaining, 234.886719 MB of memory in use. ENERGY: 1821000 3949.4573 20551.9212 14452.6656 251.7975 -203112.4892 2845.2795 0.0000 0.0000 52225.2661 -108836.1021 300.1393 -161061.3682 -108475.8652 299.8293 192.9621 219.0866 762471.0950 -3.4661 -3.3214 PRESSURE: 1821200 -265.674 -135.865 -131.28 -135.865 45.21 64.2648 -131.281 64.2658 251.76 GPRESSURE: 1821200 -211.994 -118.255 -114.51 -124.368 61.544 69.0842 -7.792 49.7068 248.512 PRESSAVG: 1821200 15.7391 0.702919 10.6066 0.702917 13.5008 8.90938 10.6065 8.90937 -17.2788 GPRESSAVG: 1821200 16.906 0.93151 10.945 0.601328 13.0179 7.27389 10.6439 8.15095 -17.7126 TIMING: 1821200 CPU: 5690.38, 0.00312973/step Wall: 5690.38, 0.00312973/step, 2.76355 hours remaining, 234.886719 MB of memory in use. ENERGY: 1821200 3905.1471 20778.4645 14483.9585 241.1434 -203060.2953 2678.1414 0.0000 0.0000 51890.3234 -109083.1171 298.2144 -160973.4405 -108726.2327 299.3325 10.4319 32.6871 764504.6684 3.9870 4.0704 PRESSURE: 1821400 5.49031 105.675 37.0038 105.675 -113.971 36.0107 37.0042 36.0113 232.011 GPRESSURE: 1821400 19.8904 152.557 -31.3472 105.258 -113.326 9.94009 6.37099 -38.8699 310.075 PRESSAVG: 1821400 9.75543 3.74581 -11.481 3.74582 -11.3196 -35.3127 -11.481 -35.3128 -22.5186 GPRESSAVG: 1821400 9.74586 3.12029 -10.732 6.0611 -11.0258 -34.4515 -15.0001 -36.7967 -22.748 TIMING: 1821400 CPU: 5691.01, 0.00313379/step Wall: 5691.01, 0.00313379/step, 2.76696 hours remaining, 234.886719 MB of memory in use. ENERGY: 1821400 4011.1320 20504.0520 14411.4260 239.8653 -203129.9341 2658.3790 0.0000 0.0000 52414.5894 -108890.4903 301.2274 -161305.0797 -108536.8508 299.5841 41.1766 72.2131 764076.7273 -8.0276 -8.0093 PRESSURE: 1821600 201.888 -282.404 -64.4301 -282.405 -6.3907 -4.77429 -64.4306 -4.77305 24.6687 GPRESSURE: 1821600 232.134 -237.416 -56.1635 -159.797 18.298 -39.0026 -95.7324 -3.19237 62.7596 PRESSAVG: 1821600 -9.31759 -29.5466 7.6185 -29.5465 -13.6259 17.9731 7.61853 17.9731 4.83742 GPRESSAVG: 1821600 -10.2623 -30.0829 6.94956 -30.8644 -13.5119 16.0052 12.6504 18.8504 5.88079 TIMING: 1821600 CPU: 5691.64, 0.00313444/step Wall: 5691.64, 0.00313444/step, 2.76736 hours remaining, 234.886719 MB of memory in use. ENERGY: 1821600 3999.8626 20549.6964 14452.2178 266.3211 -203086.9627 2661.5744 0.0000 0.0000 52161.4362 -108995.8543 299.7725 -161157.2905 -108637.3827 300.2745 73.3887 104.3972 761178.3326 -6.0354 -5.9645 PRESSURE: 1821800 -507.478 99.1211 70.1856 99.1215 -4.92381 1.06041 70.1854 1.06043 376.118 GPRESSURE: 1821800 -464.939 117.171 110.663 107.186 51.8799 -3.14957 78.516 26.4018 357.672 PRESSAVG: 1821800 -34.0312 -21.0495 -9.02443 -21.0496 11.8729 5.29989 -9.02439 5.29998 21.0722 GPRESSAVG: 1821800 -34.3399 -19.9575 -7.6948 -21.4208 12.6799 8.18044 -10.4428 5.77467 20.9177 TIMING: 1821800 CPU: 5692.27, 0.00313923/step Wall: 5692.27, 0.00313923/step, 2.77141 hours remaining, 234.886719 MB of memory in use. ENERGY: 1821800 4057.3962 20730.5270 14462.8559 241.0451 -203300.1312 2422.8863 0.0000 0.0000 52331.0265 -109054.3941 300.7471 -161385.4207 -108693.2823 299.9567 -45.4280 -18.4625 760742.5052 -0.3620 -0.2474 PRESSURE: 1822000 -192.466 46.0233 -43.797 46.0239 -488.153 3.54557 -43.7971 3.54453 -97.7821 GPRESSURE: 1822000 -239.299 -50.1892 -94.4253 47.6636 -436.434 88.3933 -37.8763 -88.1796 -14.5965 PRESSAVG: 1822000 30.2451 28.3251 23.6926 28.3252 -20.5689 42.8134 23.6926 42.8134 -8.33866 GPRESSAVG: 1822000 31.2703 26.4681 22.525 26.5659 -21.7897 41.8326 23.5476 42.1654 -8.06893 TIMING: 1822000 CPU: 5692.89, 0.00313686/step Wall: 5692.89, 0.00313686/step, 2.76915 hours remaining, 234.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1822000 4027.4373 20631.0448 14392.4289 231.4682 -202834.5074 2380.3290 0.0000 0.0000 52223.8696 -108947.9294 300.1313 -161171.7991 -108592.4861 300.1391 -259.4668 -230.1099 762373.8803 0.4458 0.4706 PRESSURE: 1822200 -18.0577 -59.961 105.725 -59.9608 -89.5161 151.166 105.725 151.167 267.999 GPRESSURE: 1822200 -27.2908 38.321 45.1775 -69.1104 -8.08036 193.327 86.6642 136.276 266.203 PRESSAVG: 1822200 7.75268 6.03858 16.1257 6.03864 -1.57564 -8.02739 16.1258 -8.02739 4.14524 GPRESSAVG: 1822200 7.93476 8.1778 14.9607 6.7122 -1.68738 -8.3532 15.4799 -7.36976 4.39173 TIMING: 1822200 CPU: 5693.52, 0.00311555/step Wall: 5693.52, 0.00311555/step, 2.75016 hours remaining, 234.886719 MB of memory in use. ENERGY: 1822200 4003.0755 20607.5418 14441.6268 239.4153 -202965.8533 2518.5368 0.0000 0.0000 52124.5728 -109031.0844 299.5606 -161155.6572 -108664.5177 299.8372 53.4750 76.9438 761704.9881 3.4408 3.5464 PRESSURE: 1822400 -571.279 77.4276 240.587 77.4279 -209.21 209.587 240.587 209.587 -57.8198 GPRESSURE: 1822400 -381.356 -83.0779 248.26 50.4744 -277.204 232.866 172.763 178.777 -76.9897 PRESSAVG: 1822400 -63.1223 -7.40895 -8.58716 -7.40894 55.4008 75.9286 -8.58716 75.9285 16.8545 GPRESSAVG: 1822400 -62.618 -8.24461 -7.21394 -6.19972 55.3449 77.1481 -8.47332 74.8195 16.4348 TIMING: 1822400 CPU: 5694.15, 0.0031552/step Wall: 5694.15, 0.0031552/step, 2.78499 hours remaining, 234.886719 MB of memory in use. ENERGY: 1822400 3963.0123 20495.5384 14396.8737 242.5626 -202482.2533 2306.1475 0.0000 0.0000 51977.5753 -109100.5435 298.7158 -161078.1188 -108736.7933 299.5348 -279.4363 -245.1832 763788.6992 3.0443 3.0539 PRESSURE: 1822600 -152.29 75.6051 -383.83 75.6057 97.6235 -31.0763 -383.831 -31.0758 -768.202 GPRESSURE: 1822600 -177.334 13.41 -419.936 69.3059 51.2339 28.9142 -370.081 -54.7542 -612.072 PRESSAVG: 1822600 3.18588 22.8685 -17.6437 22.8684 -34.9464 56.6792 -17.6437 56.6791 7.51251 GPRESSAVG: 1822600 2.8444 21.2764 -16.0872 24.6244 -34.7131 56.1643 -16.9282 58.5028 7.48395 TIMING: 1822600 CPU: 5694.78, 0.00313902/step Wall: 5694.78, 0.00313902/step, 2.77053 hours remaining, 234.886719 MB of memory in use. ENERGY: 1822600 3994.3509 20376.4158 14380.4324 244.0252 -202725.9727 2406.7274 0.0000 0.0000 52187.8145 -109136.2065 299.9241 -161324.0211 -108767.3648 299.3856 -274.2893 -246.0574 763527.6872 -8.0827 -8.1283 PRESSURE: 1822800 -87.7278 44.9484 -91.4046 44.9484 199.48 206.651 -91.4048 206.65 -104.319 GPRESSURE: 1822800 -44.5608 11.3902 -30.3492 -30.6664 164.861 217.426 -84.4909 142.406 -33.3754 PRESSAVG: 1822800 -1.94555 -74.5557 19.4209 -74.5557 -3.07984 11.7415 19.4209 11.7415 10.8613 GPRESSAVG: 1822800 -1.39798 -72.4039 17.1858 -75.5581 -3.86001 10.8082 19.4734 11.3382 10.5241 TIMING: 1822800 CPU: 5695.4, 0.0031336/step Wall: 5695.4, 0.0031336/step, 2.76558 hours remaining, 234.886719 MB of memory in use. ENERGY: 1822800 4066.4731 20471.6821 14305.1964 244.9448 -203369.7419 2986.4193 0.0000 0.0000 52174.2747 -109120.7515 299.8463 -161295.0262 -108761.6128 299.0611 2.4777 28.9751 763841.3008 1.9453 1.7554 PRESSURE: 1823000 -15.9872 -218.954 -44.0604 -218.954 -145.997 104.991 -44.0606 104.991 152.889 GPRESSURE: 1823000 -24.3832 -241.39 -24.7169 -126.046 -69.3183 63.7719 -76.9156 73.2724 182.855 PRESSAVG: 1823000 17.8838 -10.879 16.1829 -10.8789 -11.4857 -2.18971 16.183 -2.18974 -12.4217 GPRESSAVG: 1823000 16.7717 -11.051 15.7229 -10.5528 -10.3128 -0.922261 16.9761 -3.56249 -11.7717 TIMING: 1823000 CPU: 5696.03, 0.00312477/step Wall: 5696.03, 0.00312477/step, 2.75761 hours remaining, 234.886719 MB of memory in use. ENERGY: 1823000 3926.4406 20458.5578 14347.3801 230.9605 -203070.5181 2713.9732 0.0000 0.0000 52042.3380 -109350.8680 299.0880 -161393.2060 -108978.7292 299.3542 -3.0319 29.7178 763766.6202 -2.0078 -1.7709 PRESSURE: 1823200 141.349 30.2925 -92.4361 30.2918 270.851 8.2877 -92.436 8.28824 -307 GPRESSURE: 1823200 220.033 -33.0476 -21.2254 57.296 247.097 49.4033 -77.2749 -101.254 -277.707 PRESSAVG: 1823200 3.08172 -34.7524 -20.9341 -34.7525 1.73414 -29.3483 -20.9342 -29.3484 19.0681 GPRESSAVG: 1823200 5.03799 -34.8682 -20.1329 -34.774 0.498282 -32.0877 -22.4625 -28.8621 18.6445 TIMING: 1823200 CPU: 5696.65, 0.00313742/step Wall: 5696.65, 0.00313742/step, 2.7686 hours remaining, 234.886719 MB of memory in use. ENERGY: 1823200 3936.0456 20713.5411 14430.1659 266.9980 -203225.6673 2727.7395 0.0000 0.0000 51856.4649 -109294.7123 298.0198 -161151.1772 -108936.2129 298.9006 35.0665 63.1410 762359.5135 7.9613 8.0603 PRESSURE: 1823400 171.924 89.5971 20.6705 89.5964 273.564 -188.576 20.6704 -188.575 -54.8734 GPRESSURE: 1823400 253.178 67.1702 24.9632 82.2957 153.661 -171.143 47.4287 -116.947 56.6762 PRESSAVG: 1823400 -7.45481 -16.2695 53.7904 -16.2695 -13.2488 -29.8982 53.7903 -29.8981 3.54109 GPRESSAVG: 1823400 -8.14006 -15.1126 53.4484 -17.9577 -13.1344 -28.4695 54.682 -29.0094 3.97148 TIMING: 1823400 CPU: 5697.28, 0.00312467/step Wall: 5697.28, 0.00312468/step, 2.75718 hours remaining, 234.886719 MB of memory in use. ENERGY: 1823400 3978.1460 20485.2026 14392.2534 240.0328 -203222.4780 2840.6525 0.0000 0.0000 51984.8525 -109301.3383 298.7577 -161286.1908 -108942.8332 299.1242 130.2048 154.5050 764201.4144 -5.7208 -5.7677 PRESSURE: 1823600 31.6226 -79.3075 294.752 -79.3077 74.9811 143.159 294.752 143.158 66.4664 GPRESSURE: 1823600 78.3233 -185.65 277.359 6.50472 107.094 187.747 337.75 128.166 85.843 PRESSAVG: 1823600 -12.9931 -26.1988 24.6784 -26.1988 57.9953 6.58991 24.6784 6.58993 -26.0879 GPRESSAVG: 1823600 -13.1762 -27.1639 25.4028 -25.145 58.6152 7.23196 23.2599 5.74954 -25.8616 TIMING: 1823600 CPU: 5697.91, 0.003147/step Wall: 5697.91, 0.003147/step, 2.77671 hours remaining, 234.886719 MB of memory in use. ENERGY: 1823600 3989.5808 20694.5686 14369.9408 236.1150 -203467.3669 2968.4756 0.0000 0.0000 52028.3328 -109180.3532 299.0075 -161208.6860 -108817.7040 299.2179 57.6900 90.4200 761893.5944 6.3048 6.5258 PRESSURE: 1823800 -30.7795 232.223 -332.866 232.223 69.8384 -126.926 -332.866 -126.927 -212.112 GPRESSURE: 1823800 -8.54071 229.245 -336.655 268.482 61.7089 -163.636 -307.538 -28.5527 -138.699 PRESSAVG: 1823800 71.0422 -21.7507 -20.3175 -21.7507 -24.4676 -44.9509 -20.3174 -44.9509 14.0881 GPRESSAVG: 1823800 72.9357 -22.0786 -21.7902 -21.5725 -25.9209 -43.6153 -18.8175 -45.1103 13.3198 TIMING: 1823800 CPU: 5698.54, 0.00313669/step Wall: 5698.54, 0.00313669/step, 2.76743 hours remaining, 234.886719 MB of memory in use. ENERGY: 1823800 3928.1605 20429.5337 14397.7289 237.1662 -202970.7657 2473.8306 0.0000 0.0000 52063.9062 -109440.4395 299.2120 -161504.3457 -109078.0420 298.8189 -57.6845 -28.5103 760838.1691 20.2209 20.1116 PRESSURE: 1824000 -180.243 104.7 -36.6877 104.701 -453.096 -194.764 -36.688 -194.764 151.509 GPRESSURE: 1824000 -167.598 90.7704 -114.022 49.9137 -363.069 -276.958 -25.907 -91.4806 120.241 PRESSAVG: 1824000 27.418 -39.6894 -5.72601 -39.6894 -53.6971 -8.29955 -5.72605 -8.29953 -0.486414 GPRESSAVG: 1824000 25.6356 -39.4012 -5.28123 -40.6101 -53.2792 -9.54079 -6.06037 -6.56633 0.834319 TIMING: 1824000 CPU: 5699.16, 0.00313174/step Wall: 5699.16, 0.00313174/step, 2.76289 hours remaining, 234.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1824000 3927.9998 20475.3916 14432.9913 234.4224 -202875.2139 2469.3295 0.0000 0.0000 52086.9476 -109248.1318 299.3444 -161335.0794 -108883.9108 298.7896 -160.6096 -136.8086 761797.3454 -8.9219 -8.9364 PRESSURE: 1824200 262.085 98.4076 -106.979 98.408 86.4048 -212.286 -106.979 -212.286 107.173 GPRESSURE: 1824200 211.922 9.72629 -157.303 197.39 181.605 -263.279 -30.9865 -112.013 151.918 PRESSAVG: 1824200 28.5555 -36.3524 -26.3647 -36.3524 -9.31219 -56.7136 -26.3648 -56.7135 13.054 GPRESSAVG: 1824200 27.6112 -36.7208 -26.4078 -37.0849 -7.98479 -56.9756 -26.1816 -58.1641 11.8537 TIMING: 1824200 CPU: 5699.79, 0.00314263/step Wall: 5699.79, 0.00314263/step, 2.77233 hours remaining, 234.886719 MB of memory in use. ENERGY: 1824200 4020.5209 20486.9873 14378.4612 263.4086 -203462.9124 2919.4153 0.0000 0.0000 52138.9703 -109255.1487 299.6434 -161394.1190 -108877.3947 298.7845 151.8876 181.8150 759509.4126 10.7658 10.4934 LDB: ============= START OF LOAD BALANCING ============== 5712.27 LDB: ============== END OF LOAD BALANCING =============== 5712.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5712.28 LDB: ============= START OF LOAD BALANCING ============== 5712.59 LDB: Largest compute 6998 load 0.030004 is 15.4% of average load 0.194992 LDB: Average compute 0.004429 is 2.3% of average load 0.194992 LDB: TIME 5712.59 LOAD: AVG 0.194992 MAX 0.215752 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.82 MB LDB: TIME 5712.59 LOAD: AVG 0.194992 MAX 0.215752 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.887 MB LDB: TIME 5712.59 LOAD: AVG 0.194992 MAX 0.215752 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.887 MB LDB: ============== END OF LOAD BALANCING =============== 5712.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5712.6 PRESSURE: 1824400 59.8662 127.131 -26.5512 127.131 -277.232 28.9754 -26.5515 28.9742 5.23602 GPRESSURE: 1824400 61.9255 89.8494 46.4354 96.7995 -266.774 29.0872 -114.714 77.8529 90.027 PRESSAVG: 1824400 -19.5312 40.3923 -33.1184 40.3922 1.78337 -10.4055 -33.1184 -10.4054 4.20844 GPRESSAVG: 1824400 -18.3428 41.9933 -33.3362 42.3898 0.228022 -10.9036 -35.9498 -10.8276 4.48776 TIMING: 1824400 CPU: 5700.44, 0.00322349/step Wall: 5700.44, 0.00322349/step, 2.84347 hours remaining, 235.132812 MB of memory in use. ENERGY: 1824400 4036.7045 20534.9532 14406.0545 274.1307 -203133.5927 2658.7451 0.0000 0.0000 51923.2833 -109299.7214 298.4038 -161223.0047 -108948.3892 298.8452 -70.7100 -38.2739 760475.4963 -4.5131 -4.5423 PRESSURE: 1824600 25.9042 -179.973 -80.4398 -179.973 -255.797 139.016 -80.4405 139.016 -275.749 GPRESSURE: 1824600 57.9326 -142.847 -192.395 -206.393 -158.955 184.224 73.124 31.7655 -322.177 PRESSAVG: 1824600 30.5484 -3.49934 -49.3604 -3.49937 -18.3078 1.58401 -49.3605 1.58396 6.93287 GPRESSAVG: 1824600 30.6306 -5.72922 -49.9109 -5.15886 -17.5923 1.37746 -47.5724 3.58551 6.17383 TIMING: 1824600 CPU: 5701.06, 0.0031398/step Wall: 5701.06, 0.0031398/step, 2.76948 hours remaining, 235.332031 MB of memory in use. ENERGY: 1824600 4042.6825 20411.6643 14357.2015 250.9020 -202637.6930 2462.5683 0.0000 0.0000 51936.7902 -109175.8841 298.4814 -161112.6744 -108809.8051 299.4297 -168.5474 -141.0664 761586.2936 6.3912 6.4041 PRESSURE: 1824800 -305.579 78.9888 -10.3252 78.9888 -27.4171 -35.7155 -10.3248 -35.715 -375.205 GPRESSURE: 1824800 -208.568 89.6187 -37.8085 36.3042 -15.0851 40.3117 -173.029 15.3659 -405.644 PRESSAVG: 1824800 22.3328 -30.3322 -25.5161 -30.3322 -9.06297 39.4602 -25.5161 39.4602 26.7672 GPRESSAVG: 1824800 22.1385 -28.6295 -24.9705 -30.6556 -8.90818 40.2716 -25.6797 39.193 27.4012 TIMING: 1824800 CPU: 5701.69, 0.00313158/step Wall: 5701.69, 0.00313158/step, 2.76206 hours remaining, 235.332031 MB of memory in use. ENERGY: 1824800 4076.8968 20571.3625 14412.8026 221.5459 -203055.0362 2530.5540 0.0000 0.0000 51983.5518 -109258.3225 298.7502 -161241.8744 -108884.2783 299.1126 -236.0669 -209.7658 761300.6803 13.3457 13.5438 PRESSURE: 1825000 -143.941 323.525 -139.897 323.526 174.805 -35.6153 -139.898 -35.6141 -28.4075 GPRESSURE: 1825000 -109.925 185.681 -112.814 184.29 93.3701 -15.0076 -31.8738 -108.411 83.68 PRESSAVG: 1825000 1.81719 31.5772 -27.1874 31.5772 -9.81004 30.1254 -27.1875 30.1254 25.9943 GPRESSAVG: 1825000 2.31176 32.9022 -25.9764 32.0866 -10.2855 29.9898 -27.4168 29.8336 25.898 TIMING: 1825000 CPU: 5702.31, 0.00311706/step Wall: 5702.31, 0.00311706/step, 2.74907 hours remaining, 235.332031 MB of memory in use. ENERGY: 1825000 3966.1827 20554.7375 14434.6349 248.8336 -203440.2154 2718.4788 0.0000 0.0000 52043.2857 -109474.0621 299.0935 -161517.3478 -109116.9947 298.8049 0.8187 22.3750 760858.1894 6.0005 5.9748 PRESSURE: 1825200 135.512 -48.9383 -257.582 -48.9377 31.6514 166.483 -257.582 166.483 114.557 GPRESSURE: 1825200 85.5252 -17.789 -305.413 -59.0673 137.473 181.063 -296.993 237.704 132.939 PRESSAVG: 1825200 39.4519 30.6507 -58.137 30.6507 -50.0978 78.1168 -58.137 78.1168 13.2711 GPRESSAVG: 1825200 37.9905 28.8783 -60.8339 30.6956 -50.3872 78.983 -55.2239 78.7961 14.7705 TIMING: 1825200 CPU: 5702.94, 0.00313275/step Wall: 5702.94, 0.00313275/step, 2.76274 hours remaining, 235.332031 MB of memory in use. ENERGY: 1825200 4066.4422 20553.2286 14390.5607 254.5151 -203622.0728 2910.0620 0.0000 0.0000 52086.8634 -109360.4007 299.3439 -161447.2641 -108997.6293 298.6842 93.9068 118.6459 761109.0820 0.8750 0.7913 PRESSURE: 1825400 -20.4275 -112.572 -178.502 -112.572 108.034 -164.624 -178.503 -164.623 344.437 GPRESSURE: 1825400 76.1305 -23.8022 -137.029 -157.077 152.723 -200.698 -187.028 -137.207 288.608 PRESSAVG: 1825400 -37.7527 -23.3265 -101.855 -23.3265 30.9966 -10.4618 -101.855 -10.4619 7.3195 GPRESSAVG: 1825400 -36.6759 -24.1063 -99.7902 -21.9193 31.7673 -10.197 -104.783 -10.1552 5.82128 TIMING: 1825400 CPU: 5703.57, 0.00312848/step Wall: 5703.57, 0.00312848/step, 2.7588 hours remaining, 235.332031 MB of memory in use. ENERGY: 1825400 4027.6413 20534.5005 14385.0245 236.3938 -203394.9028 2883.0870 0.0000 0.0000 51888.5346 -109439.7211 298.2041 -161328.2557 -109085.1423 299.2177 144.0145 172.4872 762658.6142 0.1878 0.3042 PRESSURE: 1825600 -129.731 92.9793 357.916 92.9792 11.821 10.2065 357.915 10.2058 213.683 GPRESSURE: 1825600 -64.7362 101.821 347.735 63.0164 51.4299 81.9785 259.215 15.8151 179.36 PRESSAVG: 1825600 33.7825 -1.59413 -28.2633 -1.59409 8.73832 -36.3982 -28.2634 -36.3981 -5.91072 GPRESSAVG: 1825600 33.3622 -0.226604 -30.077 -3.26069 8.36016 -36.2906 -25.2815 -38.8086 -5.66937 TIMING: 1825600 CPU: 5704.19, 0.00312163/step Wall: 5704.19, 0.00312163/step, 2.75258 hours remaining, 235.332031 MB of memory in use. ENERGY: 1825600 4071.4631 20292.0630 14449.0589 245.2786 -203854.5826 3019.6001 0.0000 0.0000 52162.5999 -109614.5191 299.7792 -161777.1190 -109245.2192 298.4157 31.9243 55.3512 762990.7207 12.2034 12.0177 PRESSURE: 1825800 96.3477 -23.6925 -81.3046 -23.6914 -235.779 129.747 -81.3052 129.748 -302.542 GPRESSURE: 1825800 78.5269 50.644 -112.452 -91.9179 -232.078 48.2637 -53.4834 95.909 -212.795 PRESSAVG: 1825800 37.8759 15.2707 4.61581 15.2706 -10.8594 37.7453 4.61584 37.7453 -7.54706 GPRESSAVG: 1825800 37.3746 15.2017 4.67 14.2303 -10.0917 40.0567 2.66115 36.7956 -7.82559 TIMING: 1825800 CPU: 5704.82, 0.00312679/step Wall: 5704.82, 0.00312679/step, 2.75696 hours remaining, 235.332031 MB of memory in use. ENERGY: 1825800 3990.2951 20520.3290 14433.3177 240.9477 -203402.4393 2760.5929 0.0000 0.0000 51801.4601 -109655.4968 297.7037 -161456.9570 -109301.0080 298.5813 -147.3244 -122.1156 763007.8880 6.4898 6.4858 PRESSURE: 1826000 111.781 -186.039 111.416 -186.039 126.479 8.31515 111.417 8.31497 7.11706 GPRESSURE: 1826000 53.618 -112.904 96.2103 -59.4795 262.427 -47.4385 112.007 2.68541 11.5542 PRESSAVG: 1826000 -24.3091 -15.334 -19.8837 -15.334 12.9359 -31.4321 -19.8837 -31.4322 15.7111 GPRESSAVG: 1826000 -23.2591 -15.361 -19.2549 -13.3586 12.0884 -35.6632 -18.4731 -29.8729 15.4608 TIMING: 1826000 CPU: 5705.44, 0.00312228/step Wall: 5705.44, 0.00312228/step, 2.75281 hours remaining, 235.332031 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: 1826000 3913.5428 20455.5466 14443.7029 226.3401 -203456.8995 2737.7856 0.0000 0.0000 52191.3566 -109488.6249 299.9444 -161679.9815 -109123.7220 298.2968 81.7923 109.1998 764217.2769 1.4460 1.4300 PRESSURE: 1826200 -95.5311 -93.1324 129.373 -93.1324 20.0089 19.005 129.373 19.0047 413.476 GPRESSURE: 1826200 -51.9579 -21.7313 63.0606 -166.85 -32.565 -19.7404 -2.66929 31.4467 489.491 PRESSAVG: 1826200 15.1 11.362 9.75366 11.362 24.5977 67.9964 9.75362 67.9964 16.0631 GPRESSAVG: 1826200 13.8435 12.1695 10.8461 10.6403 25.5294 68.4789 6.59862 67.0597 16.5631 TIMING: 1826200 CPU: 5706.06, 0.00310218/step Wall: 5706.06, 0.00310218/step, 2.73492 hours remaining, 235.332031 MB of memory in use. ENERGY: 1826200 3948.3692 20478.9435 14449.4038 226.5971 -203553.3175 2859.3968 0.0000 0.0000 51923.6913 -109666.9158 298.4062 -161590.6071 -109308.0353 298.4192 112.6511 134.9894 763847.2402 18.5869 18.6454 PRESSURE: 1826400 64.1636 -363.306 -156.265 -363.305 17.5773 -19.5512 -156.265 -19.5519 -73.4745 GPRESSURE: 1826400 166.036 -351.506 -152.96 -260.762 -84.3337 4.76393 -193.117 -2.24046 5.02497 PRESSAVG: 1826400 -25.7933 4.9919 -30.7403 4.9919 -19.2945 36.4293 -30.7403 36.4292 -11.7497 GPRESSAVG: 1826400 -25.2522 3.23262 -30.509 6.66615 -20.2211 38.0965 -29.5362 38.1933 -11.7822 TIMING: 1826400 CPU: 5706.68, 0.0031066/step Wall: 5706.68, 0.0031066/step, 2.73864 hours remaining, 235.332031 MB of memory in use. ENERGY: 1826400 3951.3739 20427.1610 14518.6771 252.6542 -203434.9263 2689.3809 0.0000 0.0000 51829.1285 -109766.5506 297.8627 -161595.6791 -109412.8238 297.6801 2.7555 28.9092 761120.1385 -18.9459 -19.0852 PRESSURE: 1826600 2.68457 106.323 106.913 106.323 -209.816 213.295 106.913 213.296 -37.7004 GPRESSURE: 1826600 98.6627 -17.0884 46.6984 142.71 -185.101 110.004 109.24 307.047 -76.7524 PRESSAVG: 1826600 12.6755 -14.5422 24.4964 -14.5422 -10.4227 -5.82178 24.4963 -5.82179 10.7051 GPRESSAVG: 1826600 13.9529 -13.8492 23.9054 -16.2783 -10.2464 -6.31427 24.8998 -7.78627 9.33212 TIMING: 1826600 CPU: 5707.31, 0.00313491/step Wall: 5707.31, 0.00313491/step, 2.76343 hours remaining, 235.332031 MB of memory in use. ENERGY: 1826600 3992.4954 20558.5915 14455.1480 243.0772 -203694.1816 2850.8949 0.0000 0.0000 51875.3950 -109718.5796 298.1286 -161593.9746 -109356.7667 298.3017 -81.6105 -54.3968 762065.0640 4.3193 4.3462 PRESSURE: 1826800 -2.62834 112.776 -78.7055 112.777 -69.5284 62.9546 -78.7053 62.9543 167.095 GPRESSURE: 1826800 -5.86482 92.0662 -38.4647 99.667 -16.0636 20.1971 -148.947 24.9663 201.518 PRESSAVG: 1826800 -8.49954 19.0405 -10.9316 19.0405 5.67157 71.4496 -10.9316 71.4495 8.23937 GPRESSAVG: 1826800 -10.9991 20.3307 -11.4967 21.8715 6.68338 69.9616 -9.91684 72.4797 9.25475 TIMING: 1826800 CPU: 5707.93, 0.00313136/step Wall: 5707.93, 0.00313136/step, 2.76012 hours remaining, 235.332031 MB of memory in use. ENERGY: 1826800 3998.3254 20576.9139 14468.4489 230.8780 -203598.5382 2917.3236 0.0000 0.0000 51687.0862 -109719.5621 297.0464 -161406.6484 -109356.8607 298.0538 31.6460 59.8631 761171.3559 1.8038 1.6463 PRESSURE: 1827000 -59.4472 268.242 10.9371 268.242 -6.22852 -163.595 10.9366 -163.596 13.5832 GPRESSURE: 1827000 -76.4166 216.751 -13.013 227.24 79.1801 -120.958 -124.55 -110.648 23.7613 PRESSAVG: 1827000 8.28047 28.543 -33.6857 28.5431 13.2349 0.116745 -33.6857 0.116763 -0.081279 GPRESSAVG: 1827000 8.21407 28.148 -33.5141 25.9712 14.2759 2.62865 -34.3497 -1.02311 -0.945358 TIMING: 1827000 CPU: 5708.56, 0.00312983/step Wall: 5708.56, 0.00312983/step, 2.7586 hours remaining, 235.332031 MB of memory in use. ENERGY: 1827000 4014.5851 20386.4889 14457.6558 252.6810 -203761.7892 2862.4230 0.0000 0.0000 52111.0130 -109676.9424 299.4827 -161787.9554 -109322.2590 298.2294 -17.3642 8.8416 762312.6655 7.1447 7.1815 PRESSURE: 1827200 -352.624 -125.904 -291.482 -125.904 -24.4544 -21.1444 -291.483 -21.1444 -508.641 GPRESSURE: 1827200 -271.667 -25.6099 -272.148 -135.66 -120.865 -55.8215 -135.089 24.7202 -431.204 PRESSAVG: 1827200 17.0538 6.19931 11.3243 6.19932 -9.58 0.405217 11.3243 0.405339 6.58103 GPRESSAVG: 1827200 18.1835 7.79182 11.4692 4.97185 -12.1931 -0.867597 10.0757 1.43012 7.33758 TIMING: 1827200 CPU: 5709.19, 0.00314506/step Wall: 5709.19, 0.00314506/step, 2.77184 hours remaining, 235.332031 MB of memory in use. ENERGY: 1827200 4015.1373 20460.7818 14418.0290 244.8431 -203316.7296 2786.0383 0.0000 0.0000 51839.0191 -109552.8811 297.9196 -161391.9002 -109211.8338 298.5003 -295.2399 -274.5784 763572.6221 4.6850 4.4426 PRESSURE: 1827400 -14.9338 -2.47301 71.7956 -2.47242 -460.142 -15.6027 71.7958 -15.6029 126.509 GPRESSURE: 1827400 -53.6521 34.0117 121.628 -20.8066 -358.014 7.56905 -42.8126 -33.724 172.379 PRESSAVG: 1827400 -8.48762 -7.12835 6.31885 -7.12828 0.478691 39.0615 6.31881 39.0615 14.0671 GPRESSAVG: 1827400 -9.26879 -7.97186 5.82525 -5.39279 1.90213 39.7845 7.24111 39.357 13.5249 TIMING: 1827400 CPU: 5709.82, 0.00313908/step Wall: 5709.82, 0.00313908/step, 2.7664 hours remaining, 235.332031 MB of memory in use. ENERGY: 1827400 3998.9851 20638.2069 14438.8358 237.6735 -203389.5428 2649.3113 0.0000 0.0000 51926.4930 -109500.0371 298.4223 -161426.5302 -109150.5710 298.5571 -116.1889 -79.7623 761962.8227 2.0194 2.0527 PRESSURE: 1827600 -203.007 -109.46 107.781 -109.46 -129.048 174.187 107.782 174.189 -192.498 GPRESSURE: 1827600 -160.912 -64.652 96.7905 -61.4728 -96.4379 294.783 -27.7794 100.22 -176.591 PRESSAVG: 1827600 -37.2631 -36.7849 -13.7675 -36.7848 57.8834 16.9483 -13.7675 16.9484 22.7259 GPRESSAVG: 1827600 -36.5802 -37.6657 -14.4728 -37.491 57.1582 15.3411 -15.345 16.0667 23.6411 TIMING: 1827600 CPU: 5710.44, 0.00313069/step Wall: 5710.44, 0.00313069/step, 2.75883 hours remaining, 235.332031 MB of memory in use. ENERGY: 1827600 4050.5008 20563.0384 14499.7342 241.1541 -203381.7911 2699.5935 0.0000 0.0000 52040.5659 -109287.2042 299.0778 -161327.7701 -108927.3395 298.4726 -174.8507 -144.6471 763096.3965 14.4487 14.7397 PRESSURE: 1827800 -185.998 220.516 31.1749 220.517 211.623 122.791 31.1755 122.791 156.969 GPRESSURE: 1827800 -55.4856 189.723 8.78619 171.252 271.45 191.379 65.4705 -76.3684 53.8737 PRESSAVG: 1827800 -31.8933 -44.7322 9.80243 -44.7322 7.39903 36.9422 9.80252 36.9422 20.551 GPRESSAVG: 1827800 -30.8235 -43.8185 11.2181 -44.1472 6.8324 38.4653 10.4611 36.3879 19.7785 TIMING: 1827800 CPU: 5711.07, 0.00312464/step Wall: 5711.07, 0.00312464/step, 2.75333 hours remaining, 235.332031 MB of memory in use. ENERGY: 1827800 3967.6579 20664.9299 14472.7077 244.4774 -203494.9453 2894.5230 0.0000 0.0000 51864.8201 -109385.8293 298.0678 -161250.6494 -109025.3446 299.0472 60.8645 89.9459 760910.0795 -1.3144 -1.4042 PRESSURE: 1828000 -271.885 -126.362 112.129 -126.363 279.646 -12.0704 112.13 -12.0709 53.0417 GPRESSURE: 1828000 -218.662 -33.8468 122.015 -102.961 320.331 -32.9249 -33.185 -63.7479 65.6651 PRESSAVG: 1828000 9.38114 -2.38889 9.52816 -2.38892 52.2087 -31.4791 9.52815 -31.4792 -4.08799 GPRESSAVG: 1828000 7.58957 -3.37566 8.13954 -0.559943 53.3269 -32.9649 9.91794 -30.7485 -3.1935 TIMING: 1828000 CPU: 5711.69, 0.00310296/step Wall: 5711.69, 0.00310296/step, 2.73405 hours remaining, 235.332031 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: 1828000 3981.5105 20469.5760 14416.4527 251.8267 -203478.6868 2939.5273 0.0000 0.0000 52047.2170 -109372.5766 299.1161 -161419.7936 -109002.6766 299.2555 20.2674 55.7779 762631.8756 19.1673 19.2410 PRESSURE: 1828200 -84.67 -76.0263 241.186 -76.0259 -2.40887 122.933 241.186 122.935 148.514 GPRESSURE: 1828200 76.1752 -10.0099 308.251 -162.865 -8.59356 168.222 484.564 96.4976 97.2702 PRESSAVG: 1828200 -21.7843 4.80933 64.5304 4.80924 37.246 44.488 64.5305 44.488 -9.9265 GPRESSAVG: 1828200 -19.5205 6.5091 64.9599 3.43416 36.1941 46.3749 66.1582 42.7652 -11.2374 TIMING: 1828200 CPU: 5712.31, 0.00311689/step Wall: 5712.31, 0.00311689/step, 2.74615 hours remaining, 235.332031 MB of memory in use. ENERGY: 1828200 3984.1978 20457.9132 14489.5327 250.8318 -203579.8733 2752.6402 0.0000 0.0000 52149.4201 -109495.3375 299.7034 -161644.7576 -109121.6360 299.3827 20.4785 54.9506 763804.4013 1.8451 1.8121 LDB: ============= START OF LOAD BALANCING ============== 5724.79 LDB: ============== END OF LOAD BALANCING =============== 5724.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5724.79 LDB: ============= START OF LOAD BALANCING ============== 5725.11 LDB: Largest compute 7007 load 0.029211 is 15.0% of average load 0.194932 LDB: Average compute 0.004421 is 2.3% of average load 0.194932 LDB: TIME 5725.11 LOAD: AVG 0.194932 MAX 0.216665 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.82 MB LDB: TIME 5725.11 LOAD: AVG 0.194932 MAX 0.216665 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.887 MB LDB: TIME 5725.11 LOAD: AVG 0.194932 MAX 0.216665 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.887 MB LDB: ============== END OF LOAD BALANCING =============== 5725.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5725.12 PRESSURE: 1828400 -319.795 -129.005 50.874 -129.004 -392.354 229.036 50.8743 229.037 -317.893 GPRESSURE: 1828400 -282.364 -158.874 181.29 -60.0764 -371.779 190.556 -77.9714 173.087 -298.325 PRESSAVG: 1828400 -13.9418 11.7671 25.8282 11.7671 -6.48311 24.6537 25.8281 24.6537 -12.0045 GPRESSAVG: 1828400 -15.0534 12.5337 28.5257 11.0277 -6.24673 25.1058 23.9777 23.9039 -10.7261 TIMING: 1828400 CPU: 5712.95, 0.00319955/step Wall: 5712.95, 0.00319955/step, 2.8188 hours remaining, 233.847656 MB of memory in use. ENERGY: 1828400 4070.0001 20695.6620 14482.0381 230.7314 -203646.2614 2872.3450 0.0000 0.0000 52043.9832 -109251.5015 299.0975 -161295.4848 -108885.4778 299.4238 -343.3470 -317.4892 762770.4723 -10.8098 -10.6754 PRESSURE: 1828600 -109.785 179.343 100.917 179.343 -279.398 -14.6672 100.917 -14.6679 106.068 GPRESSURE: 1828600 -20.8395 127.56 58.6006 178.877 -266.565 -142.223 160.586 192.432 102.279 PRESSAVG: 1828600 -11.3118 35.6474 -20.4287 35.6473 0.00374187 13.6601 -20.4287 13.66 16.4033 GPRESSAVG: 1828600 -12.5923 32.8863 -23.5303 36.9764 1.08253 12.6897 -19.1522 14.9395 16.382 TIMING: 1828600 CPU: 5713.58, 0.00312636/step Wall: 5713.58, 0.00312636/step, 2.75415 hours remaining, 234.046875 MB of memory in use. ENERGY: 1828600 4002.5861 20696.3658 14432.9648 241.8710 -203394.9374 2549.3368 0.0000 0.0000 52046.3440 -109425.4690 299.1111 -161471.8130 -109073.8581 299.5260 -94.3715 -61.7087 761256.9494 1.6984 1.6241 PRESSURE: 1828800 205.682 -147.056 122.99 -147.056 340.692 -104.223 122.991 -104.221 57.9555 GPRESSURE: 1828800 214.662 -145.076 237.948 -245.698 321.588 -15.8786 55.8137 -87.139 177.155 PRESSAVG: 1828800 -28.2106 -40.4681 2.55985 -40.4681 45.1467 -4.00541 2.55985 -4.00536 19.3144 GPRESSAVG: 1828800 -27.8311 -38.2178 2.19927 -42.4385 43.7009 -4.51329 0.29773 -0.328285 19.7372 TIMING: 1828800 CPU: 5714.2, 0.00310336/step Wall: 5714.2, 0.00310336/step, 2.73371 hours remaining, 234.046875 MB of memory in use. ENERGY: 1828800 3924.8681 20563.7524 14430.1770 241.6119 -203593.6808 3105.2742 0.0000 0.0000 52169.9532 -109158.0439 299.8214 -161327.9971 -108793.8888 299.2817 201.4434 237.8018 763440.3189 12.0835 11.8690 PRESSURE: 1829000 -251.015 -31.1622 -162.288 -31.1622 -500.363 -70.9083 -162.288 -70.9095 -249.838 GPRESSURE: 1829000 -222.393 -59.1909 -227.722 73.5927 -469.416 -29.1758 -51.1427 -120.052 -220.918 PRESSAVG: 1829000 12.8384 18.5839 -15.806 18.5839 -38.6068 1.12512 -15.806 1.12519 15.5572 GPRESSAVG: 1829000 14.3499 16.7658 -14.3964 21.0177 -38.6017 0.884078 -16.0393 -0.118105 13.3607 TIMING: 1829000 CPU: 5714.83, 0.00314859/step Wall: 5714.83, 0.00314859/step, 2.77339 hours remaining, 234.046875 MB of memory in use. ENERGY: 1829000 4022.9929 20689.5270 14460.7747 260.6328 -203585.6576 2653.8312 0.0000 0.0000 52303.0817 -109194.8173 300.5865 -161497.8989 -108833.4566 299.2595 -333.7386 -304.2423 763692.7312 -3.4037 -3.6303 PRESSURE: 1829200 176 -6.46656 -87.3068 -6.46729 -133.175 116.194 -87.3075 116.194 230.322 GPRESSURE: 1829200 153.521 54.2075 -122.756 -1.9805 -73.7082 94.0242 33.7211 -65.1398 300.423 PRESSAVG: 1829200 -9.43034 21.2061 70.5532 21.2061 -11.3353 -23.6088 70.5532 -23.6088 16.4662 GPRESSAVG: 1829200 -11.9915 22.6806 70.9442 19.8599 -10.8427 -21.4328 70.8224 -25.6602 18.3196 TIMING: 1829200 CPU: 5715.46, 0.00313745/step Wall: 5715.46, 0.00313745/step, 2.7634 hours remaining, 234.046875 MB of memory in use. ENERGY: 1829200 3977.5502 20665.5532 14433.3557 265.7434 -203306.7403 2788.5985 0.0000 0.0000 52013.9964 -109161.9429 298.9252 -161175.9392 -108790.2504 299.2513 91.0489 126.7453 761252.4070 -1.4331 -1.5049 PRESSURE: 1829400 -85.019 -35.4118 -135.882 -35.4118 154.727 -23.7414 -135.882 -23.7419 -47.668 GPRESSURE: 1829400 -77.5458 33.7251 -180.838 41.4208 182.531 -3.08443 -48.1661 47.5024 -2.32934 PRESSAVG: 1829400 52.0293 24.8694 29.9597 24.8694 -48.1884 -11.5501 29.9599 -11.5501 5.67473 GPRESSAVG: 1829400 53.2949 24.6018 30.1267 24.9103 -48.9552 -11.9323 31.7161 -12.5653 5.09939 TIMING: 1829400 CPU: 5716.08, 0.0031361/step Wall: 5716.08, 0.0031361/step, 2.76203 hours remaining, 234.046875 MB of memory in use. ENERGY: 1829400 4022.0359 20610.1962 14508.0508 243.5705 -203577.5075 2669.8010 0.0000 0.0000 52261.7810 -109262.0720 300.3492 -161523.8530 -108889.4901 299.7578 7.3468 34.2187 759982.1723 3.1719 3.1463 PRESSURE: 1829600 187.345 -24.1576 -140.71 -24.1575 -243.344 -7.15442 -140.71 -7.15473 -2.35186 GPRESSURE: 1829600 244.874 47.2373 -114.437 -85.6786 -220.311 -11.3077 -104.753 -11.744 -16.6797 PRESSAVG: 1829600 31.7487 33.1362 -11.1143 33.1361 -0.999499 44.5751 -11.1144 44.5752 17.4243 GPRESSAVG: 1829600 31.025 32.8688 -11.256 31.8495 -0.477859 43.8978 -11.9993 46.5722 17.4496 TIMING: 1829600 CPU: 5716.71, 0.00312641/step Wall: 5716.71, 0.00312641/step, 2.75333 hours remaining, 234.046875 MB of memory in use. ENERGY: 1829600 3989.8897 20405.2659 14462.2378 239.4507 -203562.5547 2783.9639 0.0000 0.0000 52208.9825 -109472.7642 300.0457 -161681.7467 -109103.9983 298.8719 -19.4501 2.6277 762151.2826 16.0579 15.9989 PRESSURE: 1829800 67.4431 209.628 5.26161 209.628 66.3008 -155.971 5.26136 -155.97 -252.073 GPRESSURE: 1829800 27.3535 267.356 49.3232 57.1328 159.816 -80.6796 -17.9769 -211.818 -222.687 PRESSAVG: 1829800 3.99769 62.4086 -22.8523 62.4086 -9.71186 -33.731 -22.8523 -33.731 -6.73802 GPRESSAVG: 1829800 4.82747 62.523 -24.643 62.1557 -10.9845 -34.2882 -21.191 -31.9703 -6.26596 TIMING: 1829800 CPU: 5717.33, 0.00312567/step Wall: 5717.33, 0.00312567/step, 2.7525 hours remaining, 234.046875 MB of memory in use. ENERGY: 1829800 3983.9105 20526.6803 14440.3355 250.6792 -203657.7943 2890.4162 0.0000 0.0000 51956.1077 -109609.6649 298.5925 -161565.7726 -109243.4751 298.8647 -39.4429 -11.8392 760923.7192 -4.1507 -4.1410 PRESSURE: 1830000 -296.551 -56.2619 72.5964 -56.2627 -81.8814 226.402 72.5964 226.403 -104.658 GPRESSURE: 1830000 -259.75 -46.3809 136.59 -117.565 -35.6464 195.994 16.4525 307.758 -99.6363 PRESSAVG: 1830000 -22.3171 -0.457952 90.7161 -0.457924 15.8693 25.2719 90.716 25.2719 -14.0856 GPRESSAVG: 1830000 -23.4122 0.557346 91.7133 -0.17117 17.7434 27.6166 90.2897 21.045 -14.7505 TIMING: 1830000 CPU: 5717.96, 0.00313792/step Wall: 5717.96, 0.00313792/step, 2.76311 hours remaining, 234.046875 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: 1830000 4075.3253 20463.7862 14466.0320 221.8446 -203393.7791 2504.8106 0.0000 0.0000 51946.2553 -109715.7250 298.5358 -161661.9803 -109351.1331 298.4892 -161.0299 -131.6775 762260.5998 -6.8444 -6.8064 PRESSURE: 1830200 7.70433 -145.166 -21.0831 -145.166 106.707 183.273 -21.0834 183.273 214.36 GPRESSURE: 1830200 45.4885 -247.126 -38.6126 -151.749 130.672 226.637 -56.4612 199.283 262.901 PRESSAVG: 1830200 -59.4122 39.0514 -27.8172 39.0515 18.5217 16.3796 -27.8172 16.3796 -2.01521 GPRESSAVG: 1830200 -58.9602 38.1728 -27.0509 40.9921 17.6158 14.1568 -28.6211 19.3293 -1.71335 TIMING: 1830200 CPU: 5718.59, 0.00313545/step Wall: 5718.59, 0.00313545/step, 2.76076 hours remaining, 234.046875 MB of memory in use. ENERGY: 1830200 3971.9695 20505.8444 14479.4204 253.9587 -203806.2248 2823.3018 0.0000 0.0000 52121.8755 -109649.8545 299.5451 -161771.7300 -109296.0360 298.5669 109.5907 146.3537 762983.5395 -14.3019 -14.3526 PRESSURE: 1830400 17.5388 -66.4002 -234.714 -66.4 221.083 142.511 -234.715 142.512 145.882 GPRESSURE: 1830400 43.3035 -105.588 -255.889 -78.0478 227.699 164.266 -340.128 246.467 216.006 PRESSAVG: 1830400 57.4849 1.25301 28.8342 1.25299 -23.5447 34.9544 28.8341 34.9544 -8.84777 GPRESSAVG: 1830400 58.8054 0.428162 29.1949 0.253437 -24.1667 36.7269 28.2433 33.271 -9.47021 TIMING: 1830400 CPU: 5719.21, 0.00313014/step Wall: 5719.21, 0.00313014/step, 2.75591 hours remaining, 234.046875 MB of memory in use. ENERGY: 1830400 3962.9214 20586.0345 14553.7998 264.8894 -203643.9823 2723.7472 0.0000 0.0000 52050.3545 -109502.2355 299.1341 -161552.5900 -109141.6344 298.5099 128.1677 162.3362 761290.9670 8.3642 8.3895 PRESSURE: 1830600 152.446 3.31076 -8.97522 3.30968 -47.072 -23.9197 -8.97607 -23.9205 124.753 GPRESSURE: 1830600 188.228 -33.2969 -67.6352 11.7364 38.0997 -70.5646 48.1487 -48.7236 82.7478 PRESSAVG: 1830600 36.6344 43.6103 -10.9617 43.6103 -37.0055 68.3956 -10.9617 68.3957 -8.7439 GPRESSAVG: 1830600 34.667 43.0444 -12.3148 45.7313 -36.2496 67.3975 -9.26089 69.9471 -7.76013 TIMING: 1830600 CPU: 5719.84, 0.00312627/step Wall: 5719.84, 0.00312627/step, 2.75234 hours remaining, 234.046875 MB of memory in use. ENERGY: 1830600 3913.4037 20514.3684 14518.9285 259.5458 -203688.3122 2954.1256 0.0000 0.0000 52028.7900 -109499.1501 299.0102 -161527.9401 -109132.9002 299.0496 76.7092 103.0253 761830.0193 -3.0383 -3.1143 PRESSURE: 1830800 336.102 57.291 164.752 57.2917 265.104 -446.078 164.752 -446.078 129.801 GPRESSURE: 1830800 369.286 -90.2174 186.141 37.4439 319.975 -375.566 74.0095 -340.301 125.878 PRESSAVG: 1830800 25.2668 -3.14533 41.0897 -3.14534 -22.615 16.8159 41.0897 16.8159 9.40554 GPRESSAVG: 1830800 25.5161 -1.91107 41.1282 -4.21041 -22.9641 18.2404 40.5837 15.985 9.4745 TIMING: 1830800 CPU: 5720.46, 0.00311923/step Wall: 5720.46, 0.00311923/step, 2.74596 hours remaining, 234.046875 MB of memory in use. ENERGY: 1830800 3950.9039 20572.9117 14450.9862 237.9956 -203610.3866 2892.2615 0.0000 0.0000 52113.3118 -109392.0158 299.4959 -161505.3277 -109036.7806 298.9363 243.6690 271.7130 760062.6736 4.0191 4.0089 PRESSURE: 1831000 101.791 -32.0374 -160.673 -32.0368 -177.424 140.793 -160.672 140.793 -72.9456 GPRESSURE: 1831000 62.3829 -65.1046 -230.289 1.41905 -80.8317 97.1008 -166.158 220.513 -43.9407 PRESSAVG: 1831000 -43.1324 -29.8971 0.665993 -29.897 43.4398 16.7796 0.666051 16.7796 3.27049 GPRESSAVG: 1831000 -42.0765 -30.1225 0.870337 -30.1753 43.1716 14.2559 0.641477 18.7008 1.99825 TIMING: 1831000 CPU: 5721.09, 0.0031234/step Wall: 5721.09, 0.0031234/step, 2.74946 hours remaining, 234.046875 MB of memory in use. ENERGY: 1831000 4091.2113 20518.4972 14381.9200 241.7156 -203528.5175 2893.9051 0.0000 0.0000 51951.7973 -109449.4711 298.5677 -161401.2684 -109083.9506 298.8678 -49.5264 -20.7965 762971.3172 1.1926 1.0311 PRESSURE: 1831200 -221.949 -65.8592 7.01984 -65.8588 102.879 -98.6377 7.01936 -98.6366 71.3137 GPRESSURE: 1831200 -166.933 -71.6183 -24.9028 -32.2613 75.2886 -104.182 58.1038 -94.9346 136.959 PRESSAVG: 1831200 -69.6605 0.450512 20.2565 0.450561 66.0804 29.5536 20.2565 29.5536 5.55276 GPRESSAVG: 1831200 -70.5926 0.566037 19.9747 1.0969 66.5286 31.6132 18.8534 27.6479 6.2753 TIMING: 1831200 CPU: 5721.71, 0.00312274/step Wall: 5721.71, 0.00312273/step, 2.7487 hours remaining, 234.046875 MB of memory in use. ENERGY: 1831200 4012.4045 20621.5466 14379.6248 255.7150 -203472.4404 2803.4675 0.0000 0.0000 52088.9266 -109310.7554 299.3558 -161399.6820 -108956.3031 299.2641 -15.9186 15.1049 761300.5105 0.6575 0.7371 PRESSURE: 1831400 -179.262 11.1081 -287.715 11.1077 118.114 164.189 -287.715 164.189 -30.3874 GPRESSURE: 1831400 -161.186 -9.11063 -220.706 49.4934 110.199 144.725 -204.673 181.473 46.6046 PRESSAVG: 1831400 -46.7457 -25.4727 -5.30502 -25.4727 56.5528 6.45655 -5.30507 6.45664 -10.2111 GPRESSAVG: 1831400 -47.3337 -24.8841 -3.35204 -25.3359 56.4685 4.21883 -3.26648 6.34088 -9.43544 TIMING: 1831400 CPU: 5722.34, 0.00313218/step Wall: 5722.34, 0.00313218/step, 2.75684 hours remaining, 234.046875 MB of memory in use. ENERGY: 1831400 3953.3024 20451.5165 14439.1217 251.8651 -203344.7831 3087.3302 0.0000 0.0000 52074.5244 -109087.1228 299.2730 -161161.6472 -108735.6346 299.3927 -30.5117 -1.4610 763150.7626 -0.1347 -0.1002 PRESSURE: 1831600 -388.336 -238.274 117.505 -238.273 -306.865 497.87 117.505 497.87 -151.832 GPRESSURE: 1831600 -356.132 -186.869 23.8895 -246.745 -301.055 437.182 -73.319 458.165 -89.5122 PRESSAVG: 1831600 -2.96061 -41.0094 -5.07078 -41.0094 -42.6763 31.4957 -5.07073 31.4957 -1.77546 GPRESSAVG: 1831600 -3.07606 -42.5229 -5.36575 -41.2559 -42.3577 32.8491 -7.04133 32.5807 -1.93979 TIMING: 1831600 CPU: 5722.97, 0.00313023/step Wall: 5722.97, 0.00313023/step, 2.75495 hours remaining, 234.046875 MB of memory in use. ENERGY: 1831600 4008.6739 20614.8560 14432.4723 242.6279 -202691.6548 2451.0205 0.0000 0.0000 51870.2646 -109071.7396 298.0991 -160942.0042 -108708.4909 299.7163 -282.3440 -248.8998 763765.8843 -15.8041 -15.7912 PRESSURE: 1831800 -305.6 13.7112 -98.7343 13.7109 -261.155 -139.719 -98.7342 -139.719 -118.528 GPRESSURE: 1831800 -255.539 101.425 -113.158 -59.8535 -242.54 -78.8066 -5.1507 -132.109 -106.238 PRESSAVG: 1831800 -57.4497 -36.21 -28.3272 -36.21 29.2494 -11.7728 -28.3272 -11.7728 6.77648 GPRESSAVG: 1831800 -57.1683 -35.4384 -29.3796 -36.1632 28.635 -12.995 -26.2603 -12.5247 6.39123 TIMING: 1831800 CPU: 5723.59, 0.00312738/step Wall: 5723.59, 0.00312738/step, 2.75227 hours remaining, 234.046875 MB of memory in use. ENERGY: 1831800 3986.2852 20553.0597 14443.6174 264.9553 -203012.1823 2617.2685 0.0000 0.0000 51987.1177 -109159.8785 298.7707 -161146.9963 -108799.5115 299.3244 -228.4273 -201.4387 762355.8766 -7.1412 -7.3807 PRESSURE: 1832000 -238.781 147.791 92.8749 147.791 -100.731 -211.175 92.8754 -211.175 -189.412 GPRESSURE: 1832000 -142.463 136.245 55.0541 201.734 -31.0578 -195.475 43.5721 -189.719 -274.24 PRESSAVG: 1832000 -34.082 22.039 -49.3733 22.0391 -14.7685 -0.853125 -49.3734 -0.853084 10.591 GPRESSAVG: 1832000 -34.2761 22.053 -50.1781 20.2534 -13.9353 -0.13628 -52.4308 -1.75455 9.84042 TIMING: 1832000 CPU: 5724.22, 0.00313849/step Wall: 5724.22, 0.00313849/step, 2.76187 hours remaining, 234.046875 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: 1832000 4006.8857 20496.9302 14469.4405 253.7481 -202813.5104 2360.6595 0.0000 0.0000 51945.7300 -109280.1164 298.5328 -161225.8463 -108915.1133 298.7673 -176.3078 -149.2538 762958.9994 -12.7532 -12.7903 PRESSURE: 1832200 -158.198 155.375 -123.837 155.376 -252.665 5.82554 -123.839 5.82531 -85.1346 GPRESSURE: 1832200 -138.128 249.021 -42.2837 207.77 -265.011 91.98 -171.746 100.098 -21.0809 PRESSAVG: 1832200 -85.293 0.51612 -30.8287 0.516118 68.4176 -19.5983 -30.8288 -19.5983 -10.5616 GPRESSAVG: 1832200 -84.6983 1.37669 -29.7837 3.44357 67.462 -17.9219 -29.77 -19.5625 -10.3109 TIMING: 1832200 CPU: 5724.85, 0.00314394/step Wall: 5724.85, 0.00314394/step, 2.76649 hours remaining, 234.046875 MB of memory in use. ENERGY: 1832200 4002.0823 20478.6445 14435.2443 245.9317 -203018.7568 2516.9728 0.0000 0.0000 52208.2804 -109131.6009 300.0417 -161339.8813 -108777.5006 299.1869 -165.3326 -141.4068 761805.4576 -9.1457 -9.1824 LDB: ============= START OF LOAD BALANCING ============== 5737.33 LDB: ============== END OF LOAD BALANCING =============== 5737.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5737.33 LDB: ============= START OF LOAD BALANCING ============== 5737.64 LDB: Largest compute 6972 load 0.029640 is 15.2% of average load 0.194959 LDB: Average compute 0.004410 is 2.3% of average load 0.194959 LDB: TIME 5737.65 LOAD: AVG 0.194959 MAX 0.214191 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.336 MB LDB: TIME 5737.65 LOAD: AVG 0.194959 MAX 0.214191 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.336 MB LDB: TIME 5737.65 LOAD: AVG 0.194959 MAX 0.214191 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.336 MB LDB: ============== END OF LOAD BALANCING =============== 5737.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5737.65 PRESSURE: 1832400 61.7076 70.7719 -112.329 70.7728 -27.3624 -74.8058 -112.329 -74.8074 336.591 GPRESSURE: 1832400 40.3879 20.9152 -118.052 14.0121 54.2977 -85.1612 -243.644 0.333482 348.6 PRESSAVG: 1832400 -34.1802 -18.259 14.3172 -18.2589 53.3755 -27.6837 14.3172 -27.6837 14.3553 GPRESSAVG: 1832400 -33.716 -18.8557 13.9247 -21.1187 53.6725 -30.4754 14.2103 -24.9967 13.4849 TIMING: 1832400 CPU: 5725.49, 0.00320023/step Wall: 5725.49, 0.00320023/step, 2.81585 hours remaining, 234.164062 MB of memory in use. ENERGY: 1832400 3977.5051 20533.8651 14436.0589 257.6415 -202833.4577 2443.0440 0.0000 0.0000 52200.6351 -108984.7079 299.9978 -161185.3430 -108615.6959 299.5032 123.6453 147.7619 762252.7616 11.1835 11.1471 PRESSURE: 1832600 297.121 -27.5992 -85.1398 -27.5992 107.4 -244.023 -85.1395 -244.024 114.488 GPRESSURE: 1832600 271.448 -30.4681 -136.51 -110.73 152.842 -196.373 19.5845 -397.562 182.615 PRESSAVG: 1832600 24.0809 -36.3187 -20.0924 -36.3186 0.0956315 -40.3608 -20.0924 -40.3607 -2.49216 GPRESSAVG: 1832600 23.0111 -33.5864 -20.8295 -34.9482 -0.740764 -39.2637 -17.3654 -41.2015 -1.29033 TIMING: 1832600 CPU: 5726.11, 0.00311632/step Wall: 5726.11, 0.00311632/step, 2.74184 hours remaining, 234.367188 MB of memory in use. ENERGY: 1832600 3949.2216 20559.4697 14371.4385 229.1040 -203008.6566 2693.1953 0.0000 0.0000 52166.6109 -109039.6165 299.8022 -161206.2274 -108677.6656 299.9710 173.0030 202.3015 762303.5584 7.2281 6.9933 PRESSURE: 1832800 -276.402 -230.275 193.002 -230.275 -80.6111 124.269 193.002 124.27 -152.704 GPRESSURE: 1832800 -291.35 -249.193 275.561 -129.055 -11.852 86.0354 176.242 141.511 -121.096 PRESSAVG: 1832800 27.3282 -33.1311 34.8584 -33.1311 2.33706 2.76136 34.8584 2.76135 14.6365 GPRESSAVG: 1832800 27.524 -33.8358 36.9964 -33.995 2.12125 1.18362 33.096 1.38762 15.0839 TIMING: 1832800 CPU: 5726.73, 0.00312075/step Wall: 5726.73, 0.00312075/step, 2.74556 hours remaining, 234.367188 MB of memory in use. ENERGY: 1832800 4009.8777 20678.0440 14459.9191 239.2759 -202612.2503 2497.1782 0.0000 0.0000 51761.0980 -108966.8574 297.4717 -160727.9554 -108626.4228 299.2783 -169.9055 -141.4326 764012.8408 14.7672 14.9097 PRESSURE: 1833000 -198.152 59.6965 28.9375 59.6962 -266.002 75.4073 28.9379 75.4067 98.6901 GPRESSURE: 1833000 -145.546 84.4354 -11.9384 -65.0265 -172.029 -3.2645 103.402 101.218 23.9622 PRESSAVG: 1833000 -26.3282 -41.9211 16.5983 -41.9211 19.8172 10.2109 16.5982 10.2109 12.8698 GPRESSAVG: 1833000 -26.2492 -42.6294 16.1726 -42.9102 20.9699 11.0118 17.813 10.8368 11.4519 TIMING: 1833000 CPU: 5727.36, 0.00312238/step Wall: 5727.36, 0.00312238/step, 2.74683 hours remaining, 234.367188 MB of memory in use. ENERGY: 1833000 4028.3574 20409.7845 14359.8066 251.0277 -202780.4208 2534.9579 0.0000 0.0000 52211.4993 -108984.9874 300.0602 -161196.4867 -108619.0041 299.3626 -121.8213 -97.8712 763198.8740 2.1196 2.0575 PRESSURE: 1833200 111.491 99.46 -25.5727 99.4598 253.272 74.8026 -25.5728 74.8027 -155.337 GPRESSURE: 1833200 166.971 50.9993 16.0552 88.091 236.823 49.3314 -76.7338 111.952 -111.514 PRESSAVG: 1833200 -11.6733 11.2918 76.468 11.2919 -0.910352 20.632 76.468 20.6319 -18.1175 GPRESSAVG: 1833200 -11.4934 10.6186 76.9749 13.1205 -1.62995 21.0578 75.4242 22.6858 -17.5785 TIMING: 1833200 CPU: 5727.99, 0.00313759/step Wall: 5727.99, 0.00313759/step, 2.76004 hours remaining, 234.367188 MB of memory in use. ENERGY: 1833200 3965.0244 20490.0378 14383.8630 258.8000 -202760.4451 2470.7434 0.0000 0.0000 52226.1400 -108965.8365 300.1443 -161191.9765 -108600.0281 299.9294 69.8085 97.4265 760900.7818 -10.2337 -10.2340 PRESSURE: 1833400 -407.142 -269.038 -395.147 -269.038 -142.951 90.9945 -395.147 90.9941 -379.112 GPRESSURE: 1833400 -392.113 -180.066 -288.82 -203.839 -38.6431 105.124 -304.752 20.3754 -404.792 PRESSAVG: 1833400 13.782 12.8951 10.3999 12.8952 32.5666 62.0565 10.3999 62.0565 -5.39827 GPRESSAVG: 1833400 12.8985 11.7013 10.0543 15.1155 32.6316 62.402 10.9114 58.8127 -4.82547 TIMING: 1833400 CPU: 5728.61, 0.00314243/step Wall: 5728.61, 0.00314243/step, 2.76412 hours remaining, 234.367188 MB of memory in use. ENERGY: 1833400 4038.9041 20424.2357 14506.0205 247.2394 -202627.8160 2470.6630 0.0000 0.0000 52166.0145 -108774.7387 299.7988 -160940.7532 -108415.7080 300.0007 -309.7351 -278.5160 762978.7135 13.6501 13.5682 PRESSURE: 1833600 -247.649 105.904 -202.784 105.904 200.92 7.77856 -202.783 7.77826 42.1182 GPRESSURE: 1833600 -213.627 111.447 -178.849 36.8999 267.916 -3.36509 -84.6688 59.5258 14.1599 PRESSAVG: 1833600 -68.8285 56.5066 8.97781 56.5067 60.9912 -27.6316 8.97778 -27.6317 -23.1409 GPRESSAVG: 1833600 -68.2525 56.0151 7.9953 54.9422 61.5482 -28.696 10.3824 -26.0711 -24.5305 TIMING: 1833600 CPU: 5729.24, 0.00312902/step Wall: 5729.24, 0.00312902/step, 2.75215 hours remaining, 234.367188 MB of memory in use. ENERGY: 1833600 4016.2936 20369.2228 14421.9581 241.4850 -202995.1099 2892.2643 0.0000 0.0000 52127.5539 -108926.3323 299.5778 -161053.8862 -108564.3067 299.4895 -1.5369 22.8163 763464.6742 -10.3260 -10.4116 PRESSURE: 1833800 234.004 -225.455 318.938 -225.455 177.14 -47.1916 318.937 -47.1908 162.78 GPRESSURE: 1833800 311.768 -185.106 285.424 -293.623 162.398 -0.455389 143.594 41.179 168.555 PRESSAVG: 1833800 -39.7612 -7.47461 14.9913 -7.47461 0.471562 15.9764 14.9913 15.9764 5.31786 GPRESSAVG: 1833800 -39.8009 -2.97298 15.5989 -9.41866 -1.07882 16.8521 14.4941 17.2533 6.36473 TIMING: 1833800 CPU: 5729.87, 0.00312752/step Wall: 5729.87, 0.00312752/step, 2.75066 hours remaining, 234.367188 MB of memory in use. ENERGY: 1833800 3898.3877 20463.7705 14421.9646 273.0200 -203030.0560 2846.4039 0.0000 0.0000 52143.1218 -108983.3875 299.6672 -161126.5093 -108620.8782 299.6213 191.3082 214.2406 764209.1980 -11.3239 -11.5050 PRESSURE: 1834000 120.251 77.8982 28.8081 77.8986 53.2425 89.562 28.8083 89.5627 283.514 GPRESSURE: 1834000 107.253 -37.8372 67.843 -7.96541 94.6713 251.489 9.67084 62.7434 333.798 PRESSAVG: 1834000 -30.9947 -34.467 20.8741 -34.467 56.6729 28.5007 20.8741 28.5008 -1.80415 GPRESSAVG: 1834000 -30.9519 -38.6303 19.9433 -33.5024 57.7977 29.2756 19.1867 27.0839 -2.84319 TIMING: 1834000 CPU: 5730.49, 0.00313298/step Wall: 5730.49, 0.00313298/step, 2.75528 hours remaining, 234.367188 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: 1834000 3956.3584 20350.4981 14473.1268 237.8061 -202958.9835 3036.1314 0.0000 0.0000 52050.5646 -108854.4981 299.1353 -160905.0627 -108491.3536 299.5607 152.3356 178.5740 763517.1205 7.9580 8.0009 PRESSURE: 1834200 -359.883 -137.965 3.22075 -137.964 83.5046 172.133 3.22171 172.131 -231.167 GPRESSURE: 1834200 -419.333 -156.823 37.0123 -52.2828 200.327 120.794 94.6164 131.188 -187.807 PRESSAVG: 1834200 -42.7783 23.71 -55.2691 23.7101 46.9114 49.8795 -55.2691 49.8795 10.0283 GPRESSAVG: 1834200 -43.8728 24.3163 -53.237 24.6583 48.0113 47.2384 -54.023 51.3666 10.2404 TIMING: 1834200 CPU: 5731.12, 0.00314403/step Wall: 5731.12, 0.00314403/step, 2.76482 hours remaining, 234.367188 MB of memory in use. ENERGY: 1834200 4047.2328 20397.0832 14348.7205 219.8436 -202641.2006 2468.3840 0.0000 0.0000 52199.5724 -108960.3642 299.9917 -161159.9365 -108587.2487 299.3734 -169.1817 -135.6042 763310.6621 4.7205 4.7930 PRESSURE: 1834400 128.293 36.5803 -91.0797 36.5787 61.621 4.40227 -91.079 4.40216 245.309 GPRESSURE: 1834400 291.899 122.623 -140.94 -84.4767 0.497868 -64.7748 -129.295 135.632 242.051 PRESSAVG: 1834400 1.44504 -28.8661 1.92454 -28.8661 13.5943 65.4036 1.92458 65.4036 15.4536 GPRESSAVG: 1834400 1.97186 -30.3903 1.26066 -28.7868 12.5554 66.3436 2.23192 62.5431 15.5173 TIMING: 1834400 CPU: 5731.75, 0.00314765/step Wall: 5731.75, 0.00314765/step, 2.76783 hours remaining, 234.367188 MB of memory in use. ENERGY: 1834400 3991.0160 20418.9473 14396.9926 251.6418 -202577.1742 2551.9267 0.0000 0.0000 51922.1499 -109044.4998 298.3973 -160966.6497 -108689.3942 299.4174 145.0744 178.1492 763397.5916 10.1643 10.0149 PRESSURE: 1834600 -47.2837 142.121 67.4415 142.121 -240.457 210.009 67.4412 210.009 -192.729 GPRESSURE: 1834600 -57.6462 131.524 27.2387 154.708 -171.697 214.361 202.92 163.648 -151.151 PRESSAVG: 1834600 -22.3247 3.4059 2.44109 3.40596 14.6369 28.3129 2.44103 28.3128 1.34203 GPRESSAVG: 1834600 -22.646 5.55267 2.08653 3.82067 13.9541 29.0134 0.264336 30.3878 2.10221 TIMING: 1834600 CPU: 5732.38, 0.00313299/step Wall: 5732.38, 0.00313299/step, 2.75477 hours remaining, 234.367188 MB of memory in use. ENERGY: 1834600 3990.3810 20421.1289 14495.0014 285.0870 -203274.4204 2920.4667 0.0000 0.0000 52283.4447 -108878.9106 300.4737 -161162.3554 -108514.8854 299.5090 -160.1564 -126.8312 761670.9804 -2.1153 -2.1966 PRESSURE: 1834800 104.999 26.3362 -119.395 26.3361 -69.5128 -103.189 -119.395 -103.188 532.219 GPRESSURE: 1834800 254.243 -93.0678 -145.523 37.7594 -75.9354 -37.0922 -1.27338 -25.9878 477.399 PRESSAVG: 1834800 37.0443 24.3687 -18.3881 24.3688 -17.9304 73.6178 -18.3881 73.6177 -10.9038 GPRESSAVG: 1834800 36.5369 24.6726 -18.9444 23.3753 -17.4973 73.3873 -16.765 75.0718 -11.4518 TIMING: 1834800 CPU: 5733.01, 0.00314163/step Wall: 5733.01, 0.00314163/step, 2.76219 hours remaining, 234.367188 MB of memory in use. ENERGY: 1834800 3964.3121 20535.5967 14450.3425 233.4920 -202942.2141 2741.7194 0.0000 0.0000 52243.2928 -108773.4586 300.2429 -161016.7513 -108413.3405 300.2930 189.2349 218.5689 760917.8409 2.7367 2.5292 PRESSURE: 1835000 -220.808 177.826 91.8032 177.827 95.8878 459.785 91.8042 459.786 -120.691 GPRESSURE: 1835000 -159.217 74.1677 183.615 94.1617 81.3365 471.488 75.8828 395.219 -57.5102 PRESSAVG: 1835000 8.16386 27.2881 39.3267 27.288 -20.4906 30.7552 39.3267 30.7552 15.1063 GPRESSAVG: 1835000 8.31927 25.3386 40.5818 26.6688 -20.3209 30.7959 38.8976 30.2272 15.6149 TIMING: 1835000 CPU: 5733.63, 0.00312658/step Wall: 5733.63, 0.00312658/step, 2.74878 hours remaining, 234.367188 MB of memory in use. ENERGY: 1835000 4059.4244 20604.6228 14457.3407 242.8559 -203355.9054 2896.5550 0.0000 0.0000 52116.0916 -108979.0151 299.5119 -161095.1067 -108618.7247 300.1395 -81.8702 -45.1301 761224.8628 0.9265 1.2044 PRESSURE: 1835200 27.5561 -166.65 112.485 -166.649 -116.025 -173.766 112.485 -173.767 58.056 GPRESSURE: 1835200 21.8607 -103.589 107.82 -148.737 -88.2479 -155.134 122.59 -240.266 96.5264 PRESSAVG: 1835200 -3.13246 67.2872 28.6777 67.2873 -14.1224 -1.03665 28.6777 -1.03672 10.3338 GPRESSAVG: 1835200 -4.09392 67.0661 27.6273 68.0934 -13.2681 -0.241106 29.0145 -2.32779 10.1444 TIMING: 1835200 CPU: 5734.26, 0.00312257/step Wall: 5734.26, 0.00312257/step, 2.74509 hours remaining, 234.367188 MB of memory in use. ENERGY: 1835200 3939.3252 20515.9519 14466.0560 242.3893 -203202.7925 2763.9553 0.0000 0.0000 52353.4291 -108921.6857 300.8759 -161275.1148 -108559.8599 300.3218 -10.1377 10.0464 761245.5022 -2.3070 -2.4059 PRESSURE: 1835400 79.1181 260.214 -5.71737 260.215 158.074 172.61 -5.71683 172.61 156.733 GPRESSURE: 1835400 8.66344 273.05 -31.5369 159.085 207.111 162.08 21.6891 135.82 263.736 PRESSAVG: 1835400 -41.4554 24.6575 49.0908 24.6575 16.0967 -28.4527 49.0908 -28.4527 -3.88788 GPRESSAVG: 1835400 -40.4735 27.1901 50.2729 23.9794 15.3378 -29.5238 49.9091 -29.8214 -4.66379 TIMING: 1835400 CPU: 5734.88, 0.00310814/step Wall: 5734.88, 0.00310814/step, 2.73223 hours remaining, 234.367188 MB of memory in use. ENERGY: 1835400 3954.4195 20552.2461 14529.0590 236.4956 -202941.4605 2550.2187 0.0000 0.0000 52273.7249 -108845.2968 300.4178 -161119.0216 -108475.9904 300.2984 131.3083 159.8366 762359.4061 -9.7488 -9.9332 PRESSURE: 1835600 -75.067 -0.343052 -75.7275 -0.343455 -327.339 -413.811 -75.7279 -413.811 -115.273 GPRESSURE: 1835600 -79.3971 -116.47 -51.2462 85.1881 -235.195 -397.639 -162.395 -349.876 -125.643 PRESSAVG: 1835600 43.2099 21.3623 16.8003 21.3623 -28.2157 -11.9358 16.8003 -11.9358 -2.68561 GPRESSAVG: 1835600 42.5802 19.5121 15.5743 21.907 -29.0452 -12.1629 15.957 -8.00461 -1.39058 TIMING: 1835600 CPU: 5735.5, 0.00311978/step Wall: 5735.5, 0.00311978/step, 2.74229 hours remaining, 234.367188 MB of memory in use. ENERGY: 1835600 3950.3719 20639.7462 14446.2780 250.2782 -203097.9138 2639.3811 0.0000 0.0000 52338.3262 -108833.5322 300.7891 -161171.8584 -108463.7264 299.9227 -172.5596 -146.7448 762493.5118 4.1029 4.0481 PRESSURE: 1835800 -167.851 157.226 48.0294 157.227 -143.826 198.864 48.0293 198.865 -408.783 GPRESSURE: 1835800 -101.188 41.4412 -22.4263 251.439 -177.107 71.8183 101.071 97.0087 -356.02 PRESSAVG: 1835800 -9.01899 -50.4852 34.4146 -50.4852 9.02806 30.5864 34.4145 30.5864 -29.8822 GPRESSAVG: 1835800 -8.06496 -49.4483 35.2438 -49.0055 9.18633 29.5725 36.5439 28.6131 -31.0368 TIMING: 1835800 CPU: 5736.12, 0.00311365/step Wall: 5736.12, 0.00311365/step, 2.73673 hours remaining, 234.367188 MB of memory in use. ENERGY: 1835800 4077.2565 20415.9028 14331.5467 248.1913 -203094.0023 2727.7149 0.0000 0.0000 52019.8772 -109273.5131 298.9589 -161293.3903 -108914.9958 299.5350 -240.1533 -211.4384 761705.9507 -9.9577 -9.9718 PRESSURE: 1836000 48.0244 -273.866 -69.8061 -273.866 40.085 -16.9545 -69.8072 -16.9547 121.696 GPRESSURE: 1836000 95.8038 -201.313 -85.708 -293.854 106.425 -27.4186 -68.5226 -109.106 83.2162 PRESSAVG: 1836000 27.6483 -38.3652 59.6413 -38.3653 -14.1184 15.3256 59.6413 15.3257 9.33552 GPRESSAVG: 1836000 26.2675 -37.9547 59.9629 -39.999 -13.4371 19.8423 56.8696 14.9162 10.3303 TIMING: 1836000 CPU: 5736.75, 0.00310858/step Wall: 5736.75, 0.00310858/step, 2.7321 hours remaining, 234.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1836000 3949.5841 20609.8896 14429.1138 248.1132 -203131.6195 2617.4135 0.0000 0.0000 51950.8929 -109326.6124 298.5625 -161277.5053 -108958.4665 299.3836 69.9352 95.1482 761150.1121 7.6218 7.7202 PRESSURE: 1836200 352.778 11.2729 -148.924 11.2723 64.5967 112.687 -148.923 112.687 450.746 GPRESSURE: 1836200 310.875 75.4337 -163.408 11.3644 181.856 79.7793 -95.7718 107.74 458.713 PRESSAVG: 1836200 37.5324 -37.2744 14.6246 -37.2744 5.17679 11.7809 14.6246 11.7809 4.31793 GPRESSAVG: 1836200 37.7244 -36.3925 14.8036 -36.6875 5.77868 9.14676 15.1641 11.8243 3.4963 TIMING: 1836200 CPU: 5737.37, 0.00310683/step Wall: 5737.37, 0.00310683/step, 2.73038 hours remaining, 234.367188 MB of memory in use. ENERGY: 1836200 3965.6742 20455.6508 14391.5804 234.1238 -203227.5480 2623.0229 0.0000 0.0000 52165.1275 -109392.3683 299.7937 -161557.4958 -109026.7867 298.9626 289.3736 317.1479 760369.2569 15.6757 15.6665 LDB: ============= START OF LOAD BALANCING ============== 5749.85 LDB: ============== END OF LOAD BALANCING =============== 5749.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5749.85 LDB: ============= START OF LOAD BALANCING ============== 5750.16 LDB: Largest compute 6985 load 0.029777 is 15.3% of average load 0.194990 LDB: Average compute 0.004402 is 2.3% of average load 0.194990 LDB: TIME 5750.17 LOAD: AVG 0.19499 MAX 0.215135 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.395 MB LDB: TIME 5750.17 LOAD: AVG 0.19499 MAX 0.215135 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.395 MB LDB: TIME 5750.17 LOAD: AVG 0.19499 MAX 0.215135 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.395 MB LDB: ============== END OF LOAD BALANCING =============== 5750.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5750.17 PRESSURE: 1836400 -102.287 171.66 3.59671 171.66 237.569 -72.9571 3.59653 -72.9575 31.0925 GPRESSURE: 1836400 -16.9416 188.793 68.4896 -5.75527 173.077 14.5793 -111.362 -130.217 87.9159 PRESSAVG: 1836400 -6.53296 17.6392 13.0899 17.6392 -35.3749 -5.07881 13.0899 -5.07879 -8.53655 GPRESSAVG: 1836400 -6.68545 17.4112 12.0983 15.8406 -35.9634 -4.84319 11.877 -5.80673 -8.16683 TIMING: 1836400 CPU: 5738.01, 0.00320125/step Wall: 5738.01, 0.00320125/step, 2.81319 hours remaining, 233.656250 MB of memory in use. ENERGY: 1836400 3981.8099 20524.9327 14452.6681 254.8658 -203170.7720 2822.2985 0.0000 0.0000 51871.5013 -109262.6958 298.1062 -161134.1970 -108900.3537 299.0075 55.4582 81.3505 762362.3859 -16.8148 -16.9386 PRESSURE: 1836600 -728.337 135.027 -91.4616 135.029 4.47728 34.882 -91.4614 34.8808 -364.24 GPRESSURE: 1836600 -769.252 108.039 0.427769 60.3602 38.7705 37.2593 -88.2228 140.819 -274.631 PRESSAVG: 1836600 47.866 0.731867 -39.4291 0.73183 -7.3377 -6.10267 -39.429 -6.10271 5.31668 GPRESSAVG: 1836600 47.6682 -0.326396 -37.7726 0.189675 -7.43373 -7.25196 -36.9107 -3.97301 5.51981 TIMING: 1836600 CPU: 5738.63, 0.00311107/step Wall: 5738.63, 0.00311107/step, 2.73377 hours remaining, 233.656250 MB of memory in use. ENERGY: 1836600 4073.2554 20432.5212 14455.3959 287.9378 -203060.8349 2638.8518 0.0000 0.0000 51911.2375 -109261.6353 298.3346 -161172.8728 -108918.0076 299.5886 -362.6999 -335.0376 763132.7074 15.2817 15.2514 PRESSURE: 1836800 -484.119 -135.169 -53.4206 -135.169 52.9432 125.686 -53.4211 125.686 131.824 GPRESSURE: 1836800 -283.971 -113.598 -1.27718 -233.804 79.6877 86.8914 -28.0376 63.5982 15.4876 PRESSAVG: 1836800 -33.725 17.2764 7.42715 17.2765 52.2457 -0.77679 7.42714 -0.776752 -8.89199 GPRESSAVG: 1836800 -32.6907 17.0555 7.21897 20.0458 52.933 -0.487566 6.55548 -2.51788 -9.66326 TIMING: 1836800 CPU: 5739.25, 0.0031138/step Wall: 5739.25, 0.0031138/step, 2.73599 hours remaining, 233.656250 MB of memory in use. ENERGY: 1836800 4017.9238 20629.2691 14445.1286 263.1470 -203031.6410 2678.2381 0.0000 0.0000 51611.0847 -109386.8497 296.6096 -160997.9344 -109035.2833 298.6877 -99.7837 -62.9320 763535.6086 3.2096 3.5264 PRESSURE: 1837000 68.9702 179.457 75.3134 179.457 9.85949 183.556 75.3141 183.557 -90.2063 GPRESSURE: 1837000 101.205 109.211 125.179 193.518 53.3856 153.723 24.9407 57.4019 -77.7351 PRESSAVG: 1837000 -29.5769 38.9656 18.4157 38.9656 22.4596 7.84523 18.4157 7.84524 -16.4623 GPRESSAVG: 1837000 -30.3544 40.6609 18.2658 37.4385 22.9763 9.25967 18.1509 8.13436 -16.1429 TIMING: 1837000 CPU: 5739.88, 0.00311319/step Wall: 5739.88, 0.00311319/step, 2.73528 hours remaining, 233.656250 MB of memory in use. ENERGY: 1837000 3987.6725 20552.3105 14443.6720 231.3781 -203385.7373 2741.5121 0.0000 0.0000 52178.6469 -109250.5451 299.8714 -161429.1920 -108887.2202 298.7934 -3.7922 25.6184 760880.3575 -7.8599 -7.8403 PRESSURE: 1837200 -9.232 129.904 -86.4788 129.905 159.129 -142.506 -86.4789 -142.506 206.761 GPRESSURE: 1837200 29.7641 81.7347 -116.93 138.842 122.688 -86.4837 -124.551 -107.539 293.279 PRESSAVG: 1837200 23.2134 23.8341 14.4565 23.8342 -49.8257 -12.0363 14.4566 -12.0363 2.42736 GPRESSAVG: 1837200 24.0702 24.6193 14.3717 23.2279 -50.6448 -12.4863 11.7864 -12.2074 1.92788 TIMING: 1837200 CPU: 5740.5, 0.00311856/step Wall: 5740.5, 0.00311856/step, 2.73983 hours remaining, 233.656250 MB of memory in use. ENERGY: 1837200 4007.6252 20527.3197 14378.2722 253.7151 -203700.4365 3049.2652 0.0000 0.0000 52077.8036 -109406.4356 299.2919 -161484.2391 -109046.5334 299.1203 118.8859 148.5770 761649.3044 -8.0616 -8.2156 PRESSURE: 1837400 280.854 -143.944 -310.273 -143.944 59.0657 -6.55312 -310.274 -6.55155 -162.266 GPRESSURE: 1837400 255.734 -191.676 -339.653 -243.422 154.94 -85.6537 -245.702 1.00418 -124.885 PRESSAVG: 1837400 25.2095 -10.6 -49.2835 -10.6 -70.1087 13.9741 -49.2835 13.9741 28.6226 GPRESSAVG: 1837400 24.9095 -11.5672 -49.0171 -9.69806 -69.8326 12.7943 -46.4827 12.8331 28.5142 TIMING: 1837400 CPU: 5741.12, 0.00312601/step Wall: 5741.12, 0.00312601/step, 2.7462 hours remaining, 233.656250 MB of memory in use. ENERGY: 1837400 3920.0657 20349.5896 14460.7791 234.8205 -203402.2250 2852.4512 0.0000 0.0000 52412.1583 -109172.3606 301.2134 -161584.5189 -108809.6803 299.5424 59.2181 95.2630 760514.2144 -5.4255 -5.4696 PRESSURE: 1837600 -356.675 108.274 143.338 108.274 -282.877 -216.056 143.338 -216.054 5.37583 GPRESSURE: 1837600 -394.139 -8.78304 142.776 36.7918 -209.574 -143.976 37.5021 -117.396 46.3282 PRESSAVG: 1837600 -10.0029 -32.1535 -11.0641 -32.1534 14.2925 -15.86 -11.0641 -15.8599 -17.8755 GPRESSAVG: 1837600 -10.4368 -32.617 -11.6849 -33.9054 14.2328 -16.4603 -12.5943 -13.8599 -17.2935 TIMING: 1837600 CPU: 5741.75, 0.00313827/step Wall: 5741.75, 0.00313827/step, 2.7568 hours remaining, 233.656250 MB of memory in use. ENERGY: 1837600 3983.6529 20530.3787 14475.6978 260.3194 -202991.3630 2544.8794 0.0000 0.0000 52077.7033 -109118.7314 299.2913 -161196.4347 -108760.9877 299.6619 -211.3922 -185.7947 761753.8540 -4.5286 -4.4992 PRESSURE: 1837800 52.9892 -111.839 -44.308 -111.84 -61.2298 109.271 -44.3079 109.271 -55.6784 GPRESSURE: 1837800 174 -151.799 -55.7598 -185.655 -35.3043 126.981 -89.5676 -10.2218 -128.39 PRESSAVG: 1837800 26.4556 -57.865 8.92125 -57.865 0.448155 -2.32934 8.92133 -2.32929 -20.0175 GPRESSAVG: 1837800 27.9324 -57.6195 9.27993 -56.572 -0.589765 -1.11218 7.77526 -3.91155 -20.2668 TIMING: 1837800 CPU: 5742.38, 0.00311807/step Wall: 5742.38, 0.00311807/step, 2.73888 hours remaining, 233.656250 MB of memory in use. ENERGY: 1837800 3988.9877 20637.0588 14460.5123 248.6790 -203255.1263 2624.3689 0.0000 0.0000 52113.8032 -109181.7164 299.4987 -161295.5196 -108826.9876 299.3448 -21.3064 3.4352 761369.5022 2.2954 2.3586 PRESSURE: 1838000 225.783 287.537 253.324 287.536 137.44 -17.4546 253.325 -17.4543 -216.418 GPRESSURE: 1838000 190.71 334.768 225.867 257.112 204.696 -23.946 195.039 -203.291 -180.878 PRESSAVG: 1838000 12.7696 8.26023 12.9388 8.2602 -52.3958 -1.69553 12.9389 -1.69552 12.7107 GPRESSAVG: 1838000 12.5121 8.41648 14.3045 11.6543 -50.8814 -2.78861 14.0393 -1.51509 11.6805 TIMING: 1838000 CPU: 5743, 0.00312877/step Wall: 5743, 0.00312877/step, 2.7481 hours remaining, 233.656250 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: 1838000 3967.9418 20600.8755 14359.0448 228.2430 -203974.5740 3111.2083 0.0000 0.0000 52285.5044 -109421.7561 300.4855 -161707.2605 -109059.9641 299.4157 48.9349 71.5090 760133.1803 -8.9718 -8.8963 PRESSURE: 1838200 -53.0729 91.0082 -260.56 91.007 214.481 -14.8824 -260.559 -14.8813 129.014 GPRESSURE: 1838200 54.3604 32.9649 -269.252 63.4566 230.477 76.5774 -220.29 150.231 71.7222 PRESSAVG: 1838200 20.4147 62.8519 -5.27988 62.8519 8.88277 15.5748 -5.27989 15.5749 38.9552 GPRESSAVG: 1838200 19.7541 60.4738 -4.90096 60.9537 9.14371 17.7353 -5.26873 14.2266 39.6639 TIMING: 1838200 CPU: 5743.63, 0.00312347/step Wall: 5743.63, 0.00312347/step, 2.74327 hours remaining, 233.656250 MB of memory in use. ENERGY: 1838200 3956.2739 20446.8904 14471.2906 245.3921 -204113.0482 3123.5909 0.0000 0.0000 52180.1242 -109689.4862 299.8799 -161869.6104 -109325.8906 298.7644 96.8075 118.8531 760204.1188 22.7509 22.8539 PRESSURE: 1838400 135.789 -217.265 -36.3451 -217.265 -77.0307 -50.3051 -36.3452 -50.3039 233.685 GPRESSURE: 1838400 159.367 -157.599 -57.9994 -232.639 -31.1243 -35.0124 73.9287 -78.9299 249.088 PRESSAVG: 1838400 37.8574 23.1132 -28.6493 23.1132 -8.5934 -2.11199 -28.6493 -2.11192 -12.8867 GPRESSAVG: 1838400 37.7441 26.118 -29.739 23.4509 -9.01569 -4.71399 -26.7386 0.30211 -12.9423 TIMING: 1838400 CPU: 5744.25, 0.00311907/step Wall: 5744.25, 0.00311907/step, 2.73924 hours remaining, 233.656250 MB of memory in use. ENERGY: 1838400 4007.6722 20452.2676 14442.5993 237.1825 -203785.6028 2918.6812 0.0000 0.0000 51960.8545 -109766.3457 298.6197 -161727.2001 -109407.6657 298.5348 97.4809 125.7767 760525.5993 5.4591 5.2620 PRESSURE: 1838600 30.8662 -114.01 56.8606 -114.009 -23.696 -0.159241 56.8598 -0.158348 99.0927 GPRESSURE: 1838600 18.4335 -55.6179 53.7994 -128.018 109.052 30.7343 40.1124 40.7809 75.3691 PRESSAVG: 1838600 -45.0098 25.1748 3.43124 25.1747 -3.43602 -18.3549 3.43125 -18.3548 18.5861 GPRESSAVG: 1838600 -44.3862 22.7656 2.87978 25.1825 -4.11572 -15.9294 2.39958 -20.8697 18.8679 TIMING: 1838600 CPU: 5744.87, 0.00311013/step Wall: 5744.87, 0.00311013/step, 2.73122 hours remaining, 233.656250 MB of memory in use. ENERGY: 1838600 4001.4291 20486.1572 14417.7342 249.5926 -203874.1661 2843.1234 0.0000 0.0000 51920.1965 -109955.9330 298.3861 -161876.1295 -109602.3079 298.0985 35.4210 67.6182 760315.2694 -9.9532 -9.8780 PRESSURE: 1838800 -94.1714 214.053 -123.963 214.052 -229.933 144.269 -123.963 144.27 179.71 GPRESSURE: 1838800 -73.2898 237.119 -134.753 232.766 -214.808 19.2154 -91.0435 181.252 218.448 PRESSAVG: 1838800 12.99 18.2694 -31.7908 18.2694 -19.8113 -5.51367 -31.7907 -5.51366 36.9649 GPRESSAVG: 1838800 12.1553 19.121 -32.502 18.3163 -18.6065 -4.85797 -31.6346 -4.36131 36.5461 TIMING: 1838800 CPU: 5745.49, 0.00311544/step Wall: 5745.49, 0.00311544/step, 2.7357 hours remaining, 233.656250 MB of memory in use. ENERGY: 1838800 3905.2817 20502.5471 14462.6977 259.5922 -203814.0281 2702.5109 0.0000 0.0000 51887.9491 -110093.4493 298.2008 -161981.3984 -109736.6170 297.9011 -48.1314 -23.2167 759565.3786 10.0479 10.0316 PRESSURE: 1839000 -13.4086 -78.1982 59.7887 -78.1984 -17.831 -303.678 59.7892 -303.678 162.763 GPRESSURE: 1839000 63.8859 4.32433 143.273 -36.2699 -7.82274 -213.406 32.9281 -177.159 139.223 PRESSAVG: 1839000 23.0638 57.1155 19.7142 57.1155 -67.8591 -16.4471 19.7142 -16.4471 8.62273 GPRESSAVG: 1839000 22.2866 56.7618 20.1575 53.728 -67.0772 -17.2903 19.5448 -13.7201 8.78648 TIMING: 1839000 CPU: 5746.12, 0.00312605/step Wall: 5746.12, 0.00312605/step, 2.74484 hours remaining, 233.656250 MB of memory in use. ENERGY: 1839000 3848.9204 20537.7733 14445.2012 232.9803 -203282.6049 2391.2136 0.0000 0.0000 51635.4325 -110191.0835 296.7495 -161826.5160 -109827.0655 297.3521 43.8413 65.0954 760831.7560 -12.0575 -12.0014 PRESSURE: 1839200 82.7258 -135.658 -123.769 -135.658 -28.5566 -67.6292 -123.769 -67.6297 -7.71784 GPRESSURE: 1839200 49.6064 -115.113 -92.7245 -30.3821 92.0729 -78.2171 -126.29 -171.023 -9.26382 PRESSAVG: 1839200 -34.0067 64.8359 39.0468 64.8359 94.3678 36.1453 39.0468 36.1453 11.6571 GPRESSAVG: 1839200 -32.447 66.5381 38.318 65.6691 92.3958 35.3338 37.4626 34.7475 12.2657 TIMING: 1839200 CPU: 5746.75, 0.00314175/step Wall: 5746.75, 0.00314175/step, 2.75846 hours remaining, 233.656250 MB of memory in use. ENERGY: 1839200 3962.5571 20368.3613 14447.7822 224.8799 -203836.7461 2981.3905 0.0000 0.0000 51837.7667 -110014.0082 297.9124 -161851.7749 -109653.5332 297.6491 15.4838 44.1385 761313.3112 24.0060 24.0715 PRESSURE: 1839400 145.616 47.5583 -60.9966 47.5578 43.4724 16.2448 -60.9969 16.244 -75.7803 GPRESSURE: 1839400 198.105 60.8845 -45.464 33.916 101.71 -19.5551 12.5302 62.7967 -106.545 PRESSAVG: 1839400 -6.12232 23.3597 -27.8455 23.3599 -7.152 4.78636 -27.8456 4.78629 14.8121 GPRESSAVG: 1839400 -7.14289 22.697 -28.2471 24.1905 -4.15938 3.64736 -24.7123 7.52006 13.0984 TIMING: 1839400 CPU: 5747.37, 0.00312872/step Wall: 5747.37, 0.00312872/step, 2.74684 hours remaining, 233.656250 MB of memory in use. ENERGY: 1839400 4048.0373 20407.1528 14426.7454 236.1421 -203641.3623 2926.4984 0.0000 0.0000 51663.9134 -109932.8729 296.9132 -161596.7863 -109575.2424 297.7862 37.7695 64.4237 762358.7318 0.5126 0.5987 PRESSURE: 1839600 -390.548 -81.6567 -78.4063 -81.6571 -405.598 -261.074 -78.4067 -261.075 164.21 GPRESSURE: 1839600 -289.145 -104.175 -32.9558 -59.5616 -341.763 -181.523 -97.1075 -410.174 74.3382 PRESSAVG: 1839600 16.381 0.926478 -18.6113 0.926496 -15.3593 33.0685 -18.6113 33.0685 -30.1236 GPRESSAVG: 1839600 16.1194 0.638329 -17.1976 3.15721 -17.6058 34.3573 -20.1327 30.5135 -28.0268 TIMING: 1839600 CPU: 5748.01, 0.00316589/step Wall: 5748.01, 0.00316589/step, 2.7793 hours remaining, 233.656250 MB of memory in use. ENERGY: 1839600 3943.7625 20474.1374 14376.6365 259.2234 -202964.6577 2382.9814 0.0000 0.0000 51607.0910 -109920.8254 296.5867 -161527.9164 -109562.5638 297.1339 -210.6456 -185.5234 763441.8078 -9.7006 -9.8377 PRESSURE: 1839800 93.3549 -35.3852 -205.78 -35.385 68.2934 -79.0455 -205.781 -79.0457 -71.5146 GPRESSURE: 1839800 131.562 -24.9779 -146.788 -131.65 67.2951 -16.1191 -88.7575 24.9734 -48.175 PRESSAVG: 1839800 8.99943 -0.300285 -17.1218 -0.300327 -31.5472 0.421679 -17.1217 0.421639 4.45716 GPRESSAVG: 1839800 8.92861 -0.861429 -16.9277 0.00682877 -31.2034 0.85033 -16.2274 0.462231 4.35811 TIMING: 1839800 CPU: 5748.64, 0.00315808/step Wall: 5748.64, 0.00315808/step, 2.77227 hours remaining, 233.656250 MB of memory in use. ENERGY: 1839800 4010.5941 20334.3442 14456.8315 229.4870 -203927.3654 2932.5171 0.0000 0.0000 51912.3760 -110051.2154 298.3411 -161963.5915 -109691.8089 297.4704 30.0446 50.2275 760337.0021 -6.0302 -5.9722 PRESSURE: 1840000 -57.0132 -105.166 -15.0361 -105.166 32.1274 -23.6415 -15.0365 -23.6406 482.127 GPRESSURE: 1840000 -66.8081 -117.18 6.95323 30.6357 111.563 -36.2166 -96.5775 63.2534 495.532 PRESSAVG: 1840000 -10.839 45.7203 -19.6903 45.7203 1.55145 6.9227 -19.6903 6.92266 -9.79092 GPRESSAVG: 1840000 -10.0082 44.9487 -20.8252 45.0328 1.46541 6.61869 -18.3126 5.88957 -10.0711 TIMING: 1840000 CPU: 5749.27, 0.00313336/step Wall: 5749.27, 0.00313336/step, 2.7504 hours remaining, 233.656250 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: 1840000 3898.3584 20364.3328 14430.7668 234.3662 -203216.5881 2649.6531 0.0000 0.0000 51787.6703 -109851.4405 297.6245 -161639.1108 -109478.0015 297.0916 152.4137 180.0956 761321.4069 -6.3595 -6.2046 PRESSURE: 1840200 -36.9079 -157.434 273.871 -157.435 -247.75 -55.5054 273.871 -55.5058 -75.7694 GPRESSURE: 1840200 -64.5363 48.3096 243.952 -205.05 -159.667 -58.699 372.659 -91.1659 -45.4413 PRESSAVG: 1840200 -19.3683 32.3756 13.0622 32.3756 20.4258 -0.398176 13.0623 -0.398166 1.14662 GPRESSAVG: 1840200 -19.019 35.0056 13.367 31.9918 19.5164 -0.788257 12.6591 -0.237958 1.44015 TIMING: 1840200 CPU: 5749.89, 0.00314099/step Wall: 5749.89, 0.00314099/step, 2.75691 hours remaining, 233.656250 MB of memory in use. ENERGY: 1840200 4005.9117 20187.2198 14493.6641 256.0618 -203345.7823 2596.1724 0.0000 0.0000 51942.2682 -109864.4842 298.5129 -161806.7524 -109500.6090 297.9511 -120.1423 -89.8816 763092.3526 0.7347 0.6459 LDB: ============= START OF LOAD BALANCING ============== 5762.37 LDB: ============== END OF LOAD BALANCING =============== 5762.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5762.38 LDB: ============= START OF LOAD BALANCING ============== 5762.69 LDB: Largest compute 6998 load 0.030542 is 15.7% of average load 0.194902 LDB: Average compute 0.004417 is 2.3% of average load 0.194902 LDB: TIME 5762.69 LOAD: AVG 0.194902 MAX 0.216081 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.367 MB LDB: TIME 5762.7 LOAD: AVG 0.194902 MAX 0.216081 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.57 MB LDB: TIME 5762.7 LOAD: AVG 0.194902 MAX 0.216081 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.57 MB LDB: ============== END OF LOAD BALANCING =============== 5762.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5762.7 PRESSURE: 1840400 -81.6561 -4.80315 -107.957 -4.80312 33.5805 67.0792 -107.957 67.079 -39.5612 GPRESSURE: 1840400 -14.0402 -59.8902 -94.5674 59.5785 35.0885 -73.5522 -193.843 4.12875 -40.6032 PRESSAVG: 1840400 -18.9146 15.1605 10.9026 15.1606 5.83636 -37.3063 10.9026 -37.3063 -10.3634 GPRESSAVG: 1840400 -19.3563 15.599 11.443 13.374 5.96713 -39.0966 9.5249 -36.9395 -10.6696 TIMING: 1840400 CPU: 5750.54, 0.00321308/step Wall: 5750.54, 0.00321308/step, 2.82001 hours remaining, 234.765625 MB of memory in use. ENERGY: 1840400 4011.6233 20439.1874 14500.7752 240.0803 -203141.5021 2508.2738 0.0000 0.0000 51888.8455 -109552.7166 298.2059 -161441.5620 -109197.2537 298.4736 -29.2123 -6.5183 762207.1169 -7.8139 -8.0196 PRESSURE: 1840600 38.387 -13.6909 -20.5734 -13.691 15.0602 -304.895 -20.5743 -304.895 61.8184 GPRESSURE: 1840600 98.7629 48.9233 70.6423 33.7733 48.4361 -178.087 -20.7211 -188.584 56.1648 PRESSAVG: 1840600 2.75409 16.8464 6.67286 16.8464 34.1462 -6.90474 6.67288 -6.90475 2.01481 GPRESSAVG: 1840600 2.87929 17.1843 6.77666 18.421 34.1767 -5.3306 3.95362 -8.24724 1.89577 TIMING: 1840600 CPU: 5751.17, 0.00314887/step Wall: 5751.17, 0.00314887/step, 2.76349 hours remaining, 235.023438 MB of memory in use. ENERGY: 1840600 3995.1191 20325.4706 14504.8404 233.5864 -203583.3530 2902.9641 0.0000 0.0000 52012.3973 -109608.9749 298.9160 -161621.3722 -109254.0492 298.6272 38.4219 67.7879 762117.1459 12.9717 12.9839 PRESSURE: 1840800 -8.68674 17.6864 -229.659 17.686 12.9127 1.44825 -229.659 1.44729 94.7138 GPRESSURE: 1840800 59.8443 48.8209 -214.028 -6.43486 -28.5324 18.8573 -234.045 39.8011 142.556 PRESSAVG: 1840800 -83.687 29.1009 14.2705 29.1009 66.6989 -6.85522 14.2705 -6.85524 -4.2218 GPRESSAVG: 1840800 -84.3664 28.0415 14.2182 28.6697 66.3189 -7.05241 18.323 -5.15798 -3.44537 TIMING: 1840800 CPU: 5751.8, 0.00314757/step Wall: 5751.8, 0.00314757/step, 2.76217 hours remaining, 235.023438 MB of memory in use. ENERGY: 1840800 4004.4331 20440.9167 14436.8604 238.3860 -203130.8448 2638.2170 0.0000 0.0000 52126.0043 -109246.0273 299.5689 -161372.0315 -108877.1120 298.9868 32.9799 57.9559 763966.0484 -7.0700 -7.1643 PRESSURE: 1841000 -297.194 -78.6311 96.0198 -78.6317 472.174 -42.3841 96.0201 -42.3846 -5.41195 GPRESSURE: 1841000 -117.252 -30.7324 88.8119 -160.377 420.83 -152.503 -147.201 22.6925 -76.5812 PRESSAVG: 1841000 -28.9713 -2.9855 -13.1455 -2.98553 44.6777 0.209004 -13.1455 0.209027 -14.6099 GPRESSAVG: 1841000 -27.2907 -3.87094 -13.8983 -2.29403 44.7786 0.741243 -13.5062 0.815863 -16.5696 TIMING: 1841000 CPU: 5752.42, 0.00313921/step Wall: 5752.42, 0.0031392/step, 2.75465 hours remaining, 235.023438 MB of memory in use. ENERGY: 1841000 3992.4028 20537.5660 14455.0446 243.1335 -203423.7480 2898.1482 0.0000 0.0000 52108.1392 -109189.3137 299.4662 -161297.4530 -108836.7500 299.3112 56.5229 75.6656 762386.5433 0.3655 0.3061 PRESSURE: 1841200 -448.755 205.214 -206.318 205.214 -1.48584 142.141 -206.318 142.14 101.322 GPRESSURE: 1841200 -348.843 161.494 -213.612 231.415 142.675 152.394 -171.05 151.519 -26.3841 PRESSAVG: 1841200 -43.1647 10.5777 -26.9276 10.5777 57.7175 35.6525 -26.9276 35.6526 -4.73854 GPRESSAVG: 1841200 -45.1061 9.90711 -25.7936 11.2902 57.7998 35.3665 -27.3325 35.5969 -2.65772 TIMING: 1841200 CPU: 5753.05, 0.00311895/step Wall: 5753.05, 0.00311895/step, 2.73671 hours remaining, 235.023438 MB of memory in use. ENERGY: 1841200 4015.8296 20484.6546 14458.5045 250.2600 -203081.0483 2640.2551 0.0000 0.0000 52179.4735 -109052.0709 299.8762 -161231.5444 -108690.7940 299.8829 -116.3063 -77.5173 761085.5387 3.2714 3.3453 PRESSURE: 1841400 290.731 -192.272 -260.727 -192.272 296.02 163.05 -260.726 163.051 -260.167 GPRESSURE: 1841400 331.305 -64.103 -261.257 -208.589 360.418 115.115 -263.596 142.712 -277.856 PRESSAVG: 1841400 -28.4024 27.7703 -30.1719 27.7704 -1.96404 16.1038 -30.1719 16.1038 8.38224 GPRESSAVG: 1841400 -27.9591 29.0084 -31.7875 28.1141 -1.92122 15.0043 -30.0251 15.0522 8.42645 TIMING: 1841400 CPU: 5753.67, 0.0031249/step Wall: 5753.67, 0.0031249/step, 2.74175 hours remaining, 235.023438 MB of memory in use. ENERGY: 1841400 3968.8756 20527.7378 14473.2266 233.9020 -203782.5004 3327.2472 0.0000 0.0000 52124.0344 -109127.4769 299.5575 -161251.5112 -108764.6243 299.4051 108.8614 137.9558 761874.5408 -7.3281 -7.1513 PRESSURE: 1841600 27.7844 61.3674 -110.901 61.368 -113.682 45.1435 -110.901 45.1444 319.078 GPRESSURE: 1841600 165.529 -91.8213 -149.384 1.48073 -157.008 76.976 -99.3059 -29.3468 288.295 PRESSAVG: 1841600 73.4634 14.0631 -27.5736 14.0631 -38.6293 -27.0415 -27.5736 -27.0415 -19.8303 GPRESSAVG: 1841600 73.6046 13.1484 -27.8536 12.0145 -38.6231 -25.2153 -26.7856 -28.5666 -19.9785 TIMING: 1841600 CPU: 5754.3, 0.00314062/step Wall: 5754.3, 0.00314062/step, 2.75537 hours remaining, 235.023438 MB of memory in use. ENERGY: 1841600 4009.2253 20288.3240 14420.0790 242.5724 -203522.9873 3042.7544 0.0000 0.0000 52243.3767 -109276.6556 300.2434 -161520.0323 -108902.6835 299.4860 77.7268 98.9386 762297.7611 5.0013 5.0010 PRESSURE: 1841800 -483.139 37.772 -108.029 37.7719 -169.288 -189.63 -108.029 -189.63 -181.732 GPRESSURE: 1841800 -430.821 17.3633 -100.794 13.7659 -54.9563 -165.708 -128.526 -146.982 -269.266 PRESSAVG: 1841800 13.8502 -22.9081 -31.0083 -22.9081 -10.2056 -70.7143 -31.0083 -70.7142 4.00022 GPRESSAVG: 1841800 13.8198 -23.3431 -30.7614 -20.7162 -8.76431 -72.6929 -30.7154 -68.1772 2.62703 TIMING: 1841800 CPU: 5754.93, 0.00313554/step Wall: 5754.93, 0.00313554/step, 2.75074 hours remaining, 235.023438 MB of memory in use. ENERGY: 1841800 4031.6400 20492.7559 14469.4838 239.5767 -202897.5047 2458.5640 0.0000 0.0000 51974.4274 -109231.0568 298.6977 -161205.4842 -108879.7164 299.2524 -278.0529 -251.6813 763037.0966 2.5483 2.5608 PRESSURE: 1842000 -39.189 16.4269 -57.932 16.4267 229.327 44.2933 -57.9327 44.294 91.5688 GPRESSURE: 1842000 48.5643 117.119 -12.397 91.24 175.046 34.8996 -19.133 -11.2863 135.769 PRESSAVG: 1842000 5.8245 42.2197 -62.7734 42.2197 -25.7519 -11.0149 -62.7734 -11.0149 -8.33105 GPRESSAVG: 1842000 6.51597 44.5219 -63.5916 40.4111 -28.0128 -9.45104 -62.5251 -11.7245 -6.39636 TIMING: 1842000 CPU: 5755.55, 0.00313404/step Wall: 5755.55, 0.00313404/step, 2.74925 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1842000 4016.3173 20386.3041 14493.5713 265.7372 -203095.7783 2709.3311 0.0000 0.0000 51979.0778 -109245.4395 298.7245 -161224.5172 -108890.3846 298.7886 93.9021 119.7929 763010.5619 -9.4195 -9.2977 PRESSURE: 1842200 53.7438 -48.2983 112.587 -48.2984 -2.49411 104.604 112.585 104.604 303.857 GPRESSURE: 1842200 57.1948 51.5098 161.119 -61.2884 38.9937 88.8119 9.86383 106.11 324.218 PRESSAVG: 1842200 12.0091 -14.3962 81.2899 -14.3962 -6.92393 39.9023 81.2899 39.9023 7.99301 GPRESSAVG: 1842200 11.7162 -13.7077 83.118 -15.1334 -4.89718 40.6546 78.4617 38.0138 6.05422 TIMING: 1842200 CPU: 5756.18, 0.00313065/step Wall: 5756.18, 0.00313065/step, 2.7461 hours remaining, 235.023438 MB of memory in use. ENERGY: 1842200 3950.2519 20452.0758 14482.2622 247.5435 -203403.8961 2802.3133 0.0000 0.0000 51957.8756 -109511.5738 298.6026 -161469.4494 -109149.8841 298.6971 118.3687 140.1357 763010.8786 4.3594 4.2911 PRESSURE: 1842400 13.4508 -46.852 -47.2192 -46.852 -62.7995 14.9675 -47.2187 14.9671 174.259 GPRESSURE: 1842400 27.975 -110.075 -23.4541 -95.7575 9.61075 -55.3364 20.2352 117.326 174.455 PRESSAVG: 1842400 27.2234 41.5933 61.8835 41.5932 -36.5912 44.219 61.8835 44.219 -0.631515 GPRESSAVG: 1842400 27.8359 40.2947 60.3847 44.5152 -37.6671 43.3775 63.2995 46.4961 -0.418347 TIMING: 1842400 CPU: 5756.81, 0.00312751/step Wall: 5756.81, 0.00312751/step, 2.74318 hours remaining, 235.023438 MB of memory in use. ENERGY: 1842400 4023.0469 20276.6316 14417.3238 237.4141 -203009.2464 2672.2774 0.0000 0.0000 51792.8965 -109589.6561 297.6545 -161382.5526 -109229.1291 297.8880 41.6367 70.6802 763821.2557 -3.3331 -3.4165 PRESSURE: 1842600 120.605 -101.287 109.613 -101.287 -160.697 -17.1418 109.612 -17.1426 -433.762 GPRESSURE: 1842600 80.329 -71.2901 108.173 -168.931 -58.5825 8.07456 118.457 -115.985 -418.512 PRESSAVG: 1842600 32.5829 6.55311 -9.65091 6.55313 -10.5504 -13.4138 -9.65084 -13.4137 -3.87928 GPRESSAVG: 1842600 32.176 5.26254 -8.82423 6.03859 -9.80282 -13.7833 -9.82613 -14.5381 -4.60546 TIMING: 1842600 CPU: 5757.43, 0.00313134/step Wall: 5757.43, 0.00313135/step, 2.74636 hours remaining, 235.023438 MB of memory in use. ENERGY: 1842600 4020.2204 20348.7507 14559.3883 251.6741 -203048.0780 2644.7857 0.0000 0.0000 51894.6167 -109328.6421 298.2391 -161223.2588 -108968.0590 298.3161 -157.9516 -132.2552 762538.7537 6.0511 5.9226 PRESSURE: 1842800 -221.145 -31.5506 175.585 -31.55 -125.375 -40.5739 175.584 -40.5733 -525.452 GPRESSURE: 1842800 -114.098 -12.6537 260.115 -31.6476 -105.19 -38.5932 83.256 44.9753 -536.543 PRESSAVG: 1842800 83.7555 -19.961 39.5366 -19.961 -34.1907 -20.3985 39.5366 -20.3985 -30.7107 GPRESSAVG: 1842800 82.9695 -18.3685 41.262 -21.3156 -33.3725 -19.5948 37.7829 -20.2024 -30.0023 TIMING: 1842800 CPU: 5758.06, 0.00312977/step Wall: 5758.06, 0.00312977/step, 2.74481 hours remaining, 235.023438 MB of memory in use. ENERGY: 1842800 3905.4736 20615.7038 14479.1490 235.4659 -203066.2902 2603.0302 0.0000 0.0000 52025.8398 -109201.6280 298.9932 -161227.4678 -108849.3803 299.1489 -290.6574 -251.9434 763660.0822 6.2847 6.5316 PRESSURE: 1843000 115.124 95.7912 40.4302 95.7915 151.616 -195.802 40.4297 -195.802 287.86 GPRESSURE: 1843000 178.88 38.8063 21.0986 111.848 195.45 -239.039 -79.1887 -165.736 258.324 PRESSAVG: 1843000 39.7169 22.5516 -21.3889 22.5517 -9.64365 14.5215 -21.3889 14.5216 -3.17812 GPRESSAVG: 1843000 40.2925 23.0211 -23.922 23.4545 -10.4778 13.6217 -19.6421 13.944 -3.04178 TIMING: 1843000 CPU: 5758.68, 0.0031331/step Wall: 5758.68, 0.0031331/step, 2.74756 hours remaining, 235.023438 MB of memory in use. ENERGY: 1843000 4025.1199 20521.0047 14433.0607 261.0509 -203212.6217 2957.6734 0.0000 0.0000 52037.9308 -108976.7813 299.0627 -161014.7121 -108627.0008 299.9524 184.8666 210.8848 763143.6045 8.9650 8.9243 PRESSURE: 1843200 -249.753 -67.2258 -42.9426 -67.2251 -142.034 25.164 -42.9423 25.164 -90.8978 GPRESSURE: 1843200 -280.07 -144.147 45.5487 -47.269 -7.35542 -76.7234 50.0662 47.8107 -117.326 PRESSAVG: 1843200 5.08252 36.6612 7.26725 36.6612 27.7912 -85.4734 7.26725 -85.4733 24.9072 GPRESSAVG: 1843200 5.29453 35.2666 8.94963 37.8833 28.0766 -84.6276 6.52965 -85.3519 24.2422 TIMING: 1843200 CPU: 5759.31, 0.00312227/step Wall: 5759.31, 0.00312227/step, 2.73788 hours remaining, 235.023438 MB of memory in use. ENERGY: 1843200 3962.5681 20490.1994 14434.2365 271.1598 -202779.6198 2591.0490 0.0000 0.0000 52119.9814 -108910.4255 299.5342 -161030.4069 -108547.2430 299.9950 -160.8949 -134.9171 764079.1882 19.2603 19.2044 PRESSURE: 1843400 -120.691 386.539 -105.961 386.54 522.16 -39.4328 -105.96 -39.4332 34.1505 GPRESSURE: 1843400 -53.2921 180.85 -115.048 276.379 503.231 -140.11 229.43 75.0208 81.0739 PRESSAVG: 1843400 -29.258 -9.19852 -22.4043 -9.19852 32.0363 -80.7169 -22.4043 -80.7169 7.41204 GPRESSAVG: 1843400 -29.6926 -10.6398 -21.4523 -11.1076 31.6547 -80.9365 -20.7113 -80.3514 8.65766 TIMING: 1843400 CPU: 5759.94, 0.00314804/step Wall: 5759.94, 0.00314804/step, 2.76031 hours remaining, 235.023438 MB of memory in use. ENERGY: 1843400 3934.0959 20383.1560 14496.3388 253.3338 -203442.1685 3006.9565 0.0000 0.0000 52374.7077 -108993.5798 300.9982 -161368.2875 -108635.4836 299.6307 145.2066 177.0041 761673.5132 3.3968 3.5399 PRESSURE: 1843600 -18.3298 -2.41345 57.3377 -2.41315 36.4874 -197.125 57.3379 -197.125 251.268 GPRESSURE: 1843600 60.6404 -7.5532 -43.3387 -5.8525 18.4687 -132.595 -41.2808 -227.119 259.441 PRESSAVG: 1843600 -19.2572 18.1793 -1.4001 18.1794 3.30348 -123.861 -1.40013 -123.861 9.12516 GPRESSAVG: 1843600 -19.7702 18.9335 -3.79183 18.5973 2.83841 -123.569 -1.30141 -123.432 9.67414 TIMING: 1843600 CPU: 5760.57, 0.00313641/step Wall: 5760.57, 0.00313641/step, 2.74994 hours remaining, 235.023438 MB of memory in use. ENERGY: 1843600 3934.7329 20533.6339 14459.3118 249.2321 -203098.5332 2853.7319 0.0000 0.0000 52144.6811 -108923.2097 299.6762 -161067.8908 -108557.7461 299.8652 89.8086 112.8500 763129.8785 -2.2762 -2.4192 PRESSURE: 1843800 -90.985 6.18977 -234.838 6.18974 72.6965 -149.625 -234.837 -149.626 -141.206 GPRESSURE: 1843800 -23.7218 12.4585 -215.351 22.9525 135.204 -178.898 -244.465 -127.696 -185.241 PRESSAVG: 1843800 -26.6693 38.4046 -45.3026 38.4047 47.21 -10.4016 -45.3026 -10.4016 0.621496 GPRESSAVG: 1843800 -26.376 39.6936 -44.221 38.6757 48.8292 -10.6966 -45.9142 -9.94232 -0.758183 TIMING: 1843800 CPU: 5761.19, 0.00313791/step Wall: 5761.19, 0.00313791/step, 2.75108 hours remaining, 235.023438 MB of memory in use. ENERGY: 1843800 4009.6628 20448.3268 14439.1393 262.8153 -202920.1889 2622.4209 0.0000 0.0000 52061.5590 -109076.2647 299.1985 -161137.8237 -108708.6678 299.4427 -53.1649 -24.5864 761144.3587 7.0541 7.2317 PRESSURE: 1844000 -401.268 -2.15627 -10.1245 -2.15632 -62.7337 -44.4632 -10.125 -44.464 -272.71 GPRESSURE: 1844000 -337.668 10.7359 -81.397 47.9902 -91.5949 -4.99297 53.0396 -13.1839 -233.439 PRESSAVG: 1844000 -8.9483 32.0188 -8.56389 32.0188 17.1225 -23.1571 -8.5639 -23.157 -0.365975 GPRESSAVG: 1844000 -8.30696 32.1304 -8.92917 33.4908 16.2252 -22.5761 -9.1059 -24.2509 -0.0194445 TIMING: 1844000 CPU: 5761.82, 0.00312919/step Wall: 5761.82, 0.00312919/step, 2.74326 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1844000 4008.3894 20545.2447 14525.7469 236.2888 -202973.7383 2531.3219 0.0000 0.0000 52015.0638 -109111.6828 298.9313 -161126.7466 -108768.9651 299.3927 -245.5706 -220.9005 760553.4971 2.6027 2.6329 PRESSURE: 1844200 112.111 6.25681 -205.839 6.25627 59.3506 69.128 -205.838 69.1278 146.447 GPRESSURE: 1844200 102.744 -68.7583 -216.803 -4.4687 51.4634 50.3396 -118.193 30.0441 240.706 PRESSAVG: 1844200 -46.8498 37.0533 -2.97056 37.0533 30.926 -15.3016 -2.97054 -15.3016 0.843033 GPRESSAVG: 1844200 -47.3691 37.0136 -3.91203 32.9109 30.5985 -15.0559 -1.28262 -15.4205 1.81245 TIMING: 1844200 CPU: 5762.44, 0.00311518/step Wall: 5762.44, 0.00311518/step, 2.7308 hours remaining, 235.023438 MB of memory in use. ENERGY: 1844200 3916.0528 20535.4757 14432.6136 257.1628 -203038.4527 2898.4886 0.0000 0.0000 52245.2495 -108753.4098 300.2542 -160998.6594 -108394.1582 300.0145 105.9693 131.6379 764729.8728 -5.0269 -4.9860 LDB: ============= START OF LOAD BALANCING ============== 5774.92 LDB: ============== END OF LOAD BALANCING =============== 5774.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5774.92 LDB: ============= START OF LOAD BALANCING ============== 5775.24 LDB: Largest compute 7041 load 0.028376 is 14.6% of average load 0.194984 LDB: Average compute 0.004422 is 2.3% of average load 0.194984 LDB: TIME 5775.24 LOAD: AVG 0.194984 MAX 0.21505 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.535 MB LDB: TIME 5775.24 LOAD: AVG 0.194984 MAX 0.21505 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.535 MB LDB: TIME 5775.24 LOAD: AVG 0.194984 MAX 0.21505 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.535 MB LDB: ============== END OF LOAD BALANCING =============== 5775.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5775.25 PRESSURE: 1844400 -171.146 -54.31 -12.786 -54.3095 251.143 133.295 -12.7865 133.296 -113.234 GPRESSURE: 1844400 17.4646 -19.1363 18.3059 -88.1519 150.655 129.023 -75.4378 78.7953 -136.309 PRESSAVG: 1844400 19.8001 18.6801 -27.7875 18.6801 -9.308 -25.887 -27.7875 -25.8869 -1.26706 GPRESSAVG: 1844400 20.6919 18.7548 -25.5594 20.9609 -10.7267 -27.4457 -29.0343 -25.9349 -1.3475 TIMING: 1844400 CPU: 5763.08, 0.00319424/step Wall: 5763.08, 0.00319423/step, 2.79992 hours remaining, 235.457031 MB of memory in use. ENERGY: 1844400 4006.7987 20593.2696 14482.9598 233.3438 -203208.7561 2766.9807 0.0000 0.0000 52285.2842 -108840.1193 300.4842 -161125.4035 -108473.9679 300.0674 -11.0790 10.6033 763727.4517 3.0750 2.8726 PRESSURE: 1844600 -9.66104 56.0289 185.299 56.0291 -149.312 -5.89444 185.299 -5.89335 -108.534 GPRESSURE: 1844600 61.3276 -1.66363 95.0876 49.6426 -153.996 -51.5795 142.552 -40.4534 -81.1866 PRESSAVG: 1844600 -58.1957 -17.5413 -55.2764 -17.5413 64.0301 9.80096 -55.2764 9.80096 -4.46082 GPRESSAVG: 1844600 -58.0168 -19.1574 -56.1849 -16.5929 64.6521 11.2569 -56.036 10.7546 -5.15091 TIMING: 1844600 CPU: 5763.71, 0.00313423/step Wall: 5763.71, 0.00313423/step, 2.74716 hours remaining, 235.656250 MB of memory in use. ENERGY: 1844600 4009.0180 20548.0885 14465.9109 257.2224 -203115.6932 2755.8068 0.0000 0.0000 52142.0731 -108937.5735 299.6612 -161079.6466 -108580.6184 300.0663 -89.1688 -57.9518 763540.6499 0.4579 0.4948 PRESSURE: 1844800 21.8892 -168.546 -93.1765 -168.546 42.646 135.849 -93.1777 135.848 267.726 GPRESSURE: 1844800 -2.70645 -189.732 -28.3049 -13.3363 111.277 118.458 -65.6985 114.385 304.803 PRESSAVG: 1844800 -12.1076 -51.4008 -4.29158 -51.4008 41.308 16.973 -4.29154 16.9731 11.0906 GPRESSAVG: 1844800 -12.5231 -51.2768 -3.23772 -49.7256 42.4967 17.3049 -3.3111 14.8758 10.173 TIMING: 1844800 CPU: 5764.33, 0.00310683/step Wall: 5764.33, 0.00310683/step, 2.72296 hours remaining, 235.656250 MB of memory in use. ENERGY: 1844800 4005.1864 20530.2992 14446.9704 254.1392 -202835.8375 2650.4667 0.0000 0.0000 51949.0587 -108999.7168 298.5520 -160948.7756 -108633.5533 299.4920 110.7538 137.7914 763733.5810 13.4303 13.3822 PRESSURE: 1845000 86.894 66.1556 -133.651 66.1552 -200.769 339.739 -133.651 339.74 -312.607 GPRESSURE: 1845000 98.0577 104.251 -184.325 62.8427 -62.5713 398.838 -145.395 320.476 -366.808 PRESSAVG: 1845000 -9.36433 -29.341 -5.9609 -29.3411 24.9507 70.4739 -5.96084 70.4739 1.21575 GPRESSAVG: 1845000 -10.4196 -29.123 -7.0977 -32.0381 24.8327 68.9194 -6.00148 72.9924 2.05772 TIMING: 1845000 CPU: 5764.95, 0.00311051/step Wall: 5764.95, 0.00311051/step, 2.72602 hours remaining, 235.656250 MB of memory in use. ENERGY: 1845000 4004.8803 20395.2447 14488.1640 243.9792 -202762.4028 2314.7319 0.0000 0.0000 52345.5410 -108969.8617 300.8305 -161315.4028 -108599.3591 299.6703 -142.1607 -110.4405 761912.6360 5.6007 5.4903 PRESSURE: 1845200 -80.233 22.1641 70.9041 22.1645 -106.227 126.204 70.9035 126.203 -645.494 GPRESSURE: 1845200 -103.741 -9.78504 87.5926 6.7651 -30.0016 41.5586 58.2236 96.5322 -606.83 PRESSAVG: 1845200 -2.11778 -24.2443 -50.8198 -24.2444 -1.59849 46.5768 -50.8199 46.5768 10.596 GPRESSAVG: 1845200 -2.32397 -26.0333 -49.8528 -22.2944 -1.96629 47.1347 -51.1732 45.5458 11.4202 TIMING: 1845200 CPU: 5765.58, 0.00311956/step Wall: 5765.58, 0.00311956/step, 2.73377 hours remaining, 235.656250 MB of memory in use. ENERGY: 1845200 4032.2444 20505.6998 14383.6527 237.9218 -202854.5924 2457.4236 0.0000 0.0000 52083.8060 -109153.8440 299.3263 -161237.6500 -108798.0930 299.3339 -277.3181 -246.8576 761843.2456 2.2932 2.3766 PRESSURE: 1845400 -267.154 138.331 210.2 138.331 10.7764 -74.8456 210.2 -74.8455 -219.92 GPRESSURE: 1845400 -197.121 131.442 188.685 181.678 -17.1171 -54.2275 228.838 -84.5861 -181.469 PRESSAVG: 1845400 -3.99226 19.4315 18.0489 19.4314 3.88572 60.7766 18.0488 60.7766 16.044 GPRESSAVG: 1845400 -3.09475 20.887 15.8754 18.4354 4.46964 61.2919 18.7936 60.0242 14.7466 TIMING: 1845400 CPU: 5766.2, 0.00310182/step Wall: 5766.2, 0.00310182/step, 2.71806 hours remaining, 235.656250 MB of memory in use. ENERGY: 1845400 3974.9303 20491.0451 14387.5660 247.6460 -203185.1706 2847.8829 0.0000 0.0000 51894.3480 -109341.7524 298.2375 -161236.1004 -108977.8035 299.1104 -158.7657 -131.9025 762135.3247 5.3125 5.3738 PRESSURE: 1845600 -206.264 -4.06908 -77.6093 -4.06947 413.985 63.6081 -77.6109 63.6072 351.186 GPRESSURE: 1845600 -184.033 -11.5912 -114.638 112.423 500.77 21.7915 -187.612 73.0766 341.168 PRESSAVG: 1845600 16.9066 -19.844 -19.994 -19.8439 5.20793 27.5326 -19.994 27.5325 -12.6046 GPRESSAVG: 1845600 17.0186 -22.2208 -18.9386 -20.4974 5.09809 26.8796 -20.7944 28.545 -12.4666 TIMING: 1845600 CPU: 5766.82, 0.00311416/step Wall: 5766.82, 0.00311416/step, 2.7287 hours remaining, 235.656250 MB of memory in use. ENERGY: 1845600 3977.5667 20488.0227 14430.6954 242.3062 -203580.1069 2973.4843 0.0000 0.0000 52313.5364 -109154.4952 300.6466 -161468.0316 -108786.8103 299.0785 186.3026 219.3017 762768.2936 3.1700 3.2167 PRESSURE: 1845800 -290.214 -162.459 37.8131 -162.46 81.665 169.429 37.8136 169.429 174.793 GPRESSURE: 1845800 -167.281 -29.187 -21.5572 22.234 26.3303 78.2256 16.3855 109.028 201.25 PRESSAVG: 1845800 -17.7719 6.44283 -10.285 6.44273 38.06 28.559 -10.285 28.5591 -21.6347 GPRESSAVG: 1845800 -16.5819 8.59181 -11.2803 8.22808 36.6306 30.0414 -10.7414 28.5066 -21.2516 TIMING: 1845800 CPU: 5767.45, 0.00313104/step Wall: 5767.45, 0.00313104/step, 2.74331 hours remaining, 235.656250 MB of memory in use. ENERGY: 1845800 3957.8536 20614.2799 14456.1638 231.0812 -203798.8483 3197.8068 0.0000 0.0000 52188.9537 -109152.7093 299.9306 -161341.6630 -108785.2058 299.5893 -11.2520 20.0998 763953.2505 -0.4489 -0.4010 PRESSURE: 1846000 -36.6337 75.5571 -17.0158 75.5568 57.2116 -41.5613 -17.0163 -41.56 -50.8991 GPRESSURE: 1846000 -87.2549 43.8557 46.5922 -2.8256 149.651 -48.8563 -30.6042 -100.875 2.56913 PRESSAVG: 1846000 0.538254 -15.5139 -13.7352 -15.5139 -65.7073 -58.5748 -13.7352 -58.5748 -2.68921 GPRESSAVG: 1846000 -0.183993 -15.6299 -11.7297 -15.9391 -65.015 -59.3705 -14.8496 -59.1715 -2.77351 TIMING: 1846000 CPU: 5768.07, 0.00311406/step Wall: 5768.07, 0.00311406/step, 2.72826 hours remaining, 235.656250 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: 1846000 3955.1623 20615.0168 14408.5957 250.7111 -202950.8395 2643.4804 0.0000 0.0000 52009.0852 -109068.7879 298.8969 -161077.8732 -108707.2522 299.1135 -10.1071 21.6551 763060.9343 -22.6194 -22.6575 PRESSURE: 1846200 -83.2053 55.2191 5.63678 55.2201 242.595 254.319 5.63747 254.319 -365.177 GPRESSURE: 1846200 -47.0179 139.178 51.8665 16.7927 245.645 238.398 59.3653 233.518 -330.262 PRESSAVG: 1846200 -2.32945 3.30062 37.4885 3.30062 18.0571 -11.6145 37.4884 -11.6145 -0.411368 GPRESSAVG: 1846200 -1.80381 3.29918 36.3117 1.55612 17.2637 -12.8072 38.4977 -9.42891 -0.444414 TIMING: 1846200 CPU: 5768.69, 0.00311539/step Wall: 5768.69, 0.00311539/step, 2.72925 hours remaining, 235.656250 MB of memory in use. ENERGY: 1846200 3942.5090 20614.4948 14431.5974 266.6636 -203544.3971 2809.0200 0.0000 0.0000 52037.8066 -109442.3056 299.0620 -161480.1122 -109087.3090 299.1448 -68.5959 -43.8783 762317.2568 5.1054 5.0052 PRESSURE: 1846400 263.509 23.4891 -133.202 23.4892 78.3155 66.0028 -133.203 66.0017 -98.3086 GPRESSURE: 1846400 288.833 7.84316 -188.196 75.5191 87.0117 138.45 -182.947 39.1089 -47.9144 PRESSAVG: 1846400 7.19366 -2.53335 -3.75683 -2.53331 -14.1709 -28.7589 -3.75684 -28.7589 -1.37645 GPRESSAVG: 1846400 6.68759 -2.93509 -4.86818 -0.836648 -12.517 -25.8432 -4.62926 -30.3556 -2.90527 TIMING: 1846400 CPU: 5769.32, 0.00312571/step Wall: 5769.32, 0.00312571/step, 2.73812 hours remaining, 235.656250 MB of memory in use. ENERGY: 1846400 3946.6277 20551.0882 14428.4775 235.1337 -202895.7678 2407.6868 0.0000 0.0000 51778.3128 -109548.4410 297.5707 -161326.7538 -109195.7199 298.9662 81.1720 109.3100 762651.2590 -2.7846 -2.9115 PRESSURE: 1846600 111.668 -73.8929 244.422 -73.8929 -139.916 33.0033 244.423 33.0042 -247.831 GPRESSURE: 1846600 106.817 -29.0975 246.628 -44.8414 -131.099 -83.6866 255.545 39.3636 -186.898 PRESSAVG: 1846600 39.5513 4.35115 -11.2549 4.35115 -29.1934 -7.00023 -11.2549 -7.00025 -10.69 GPRESSAVG: 1846600 38.9385 5.01068 -10.4764 4.1171 -28.8228 -8.67423 -10.1902 -7.65064 -10.8427 TIMING: 1846600 CPU: 5769.94, 0.00312214/step Wall: 5769.94, 0.00312214/step, 2.73482 hours remaining, 235.656250 MB of memory in use. ENERGY: 1846600 4045.2024 20360.7016 14403.0821 233.3632 -203092.8290 2541.8432 0.0000 0.0000 52134.6190 -109374.0175 299.6184 -161508.6364 -109013.0908 298.6812 -92.0264 -70.3934 762228.2797 -0.1107 -0.2423 PRESSURE: 1846800 -168.638 58.7865 23.0928 58.7865 -30.1317 291.644 23.0935 291.645 267.577 GPRESSURE: 1846800 -115.235 40.5857 67.9736 34.9615 -13.6235 247.596 37.0283 306.806 287.279 PRESSAVG: 1846800 36.3386 26.0563 4.31744 26.0562 -54.4647 14.8417 4.31744 14.8418 21.8296 GPRESSAVG: 1846800 36.1426 25.4232 4.92023 26.4363 -55.5164 14.6085 2.75193 15.0544 23.2404 TIMING: 1846800 CPU: 5770.57, 0.00313513/step Wall: 5770.57, 0.00313513/step, 2.74603 hours remaining, 235.656250 MB of memory in use. ENERGY: 1846800 3937.2475 20469.4654 14385.7575 245.5648 -203247.8362 2711.5144 0.0000 0.0000 52116.8645 -109381.4222 299.5163 -161498.2867 -109014.0528 299.3340 22.9359 52.8066 761938.6480 1.2345 1.2889 PRESSURE: 1847000 -78.4035 -33.2217 -248.533 -33.2209 -312.579 61.499 -248.532 61.499 -73.5358 GPRESSURE: 1847000 -125.601 -36.0175 -177.02 -74.1604 -164.241 -47.6347 -134.771 117.081 -86.3078 PRESSAVG: 1847000 43.4333 60.5824 13.4108 60.5824 -84.1637 19.8154 13.4108 19.8153 -1.16615 GPRESSAVG: 1847000 44.3092 61.6995 14.1527 60.4042 -84.0021 19.4283 14.0664 21.0446 -2.0373 TIMING: 1847000 CPU: 5771.19, 0.00313572/step Wall: 5771.19, 0.00313572/step, 2.74636 hours remaining, 235.656250 MB of memory in use. ENERGY: 1847000 3895.9329 20485.3788 14374.7380 248.9756 -203006.6715 2454.9153 0.0000 0.0000 52200.1382 -109346.5927 299.9949 -161546.7309 -108979.6694 299.6467 -154.8396 -125.3831 763539.1289 -13.9655 -13.9101 PRESSURE: 1847200 -127.93 278.059 25.2544 278.059 -455.588 -15.8471 25.2543 -15.8472 306.141 GPRESSURE: 1847200 -52.2207 247.992 39.643 126.052 -414.467 -30.1606 156.085 114.407 255.272 PRESSAVG: 1847200 34.7575 40.5402 -40.3183 40.5402 -22.3807 77.737 -40.3182 77.7369 20.783 GPRESSAVG: 1847200 34.7756 40.9578 -42.4934 39.1883 -22.2672 77.9424 -40.2943 75.9428 20.5346 TIMING: 1847200 CPU: 5771.82, 0.00312696/step Wall: 5771.82, 0.00312696/step, 2.73852 hours remaining, 235.656250 MB of memory in use. ENERGY: 1847200 4004.0738 20525.4670 14441.9260 236.9234 -203498.3056 2734.8051 0.0000 0.0000 52043.4984 -109511.6118 299.0947 -161555.1103 -109154.6389 299.3219 -92.4588 -70.4719 762061.2601 11.0533 11.0143 PRESSURE: 1847400 197.187 -252.808 8.65289 -252.809 26.1687 -204.426 8.65349 -204.426 -235.275 GPRESSURE: 1847400 189.501 -175.982 26.9618 -204.31 53.8904 -254.691 -17.4666 -200.965 -173.267 PRESSAVG: 1847400 77.7826 11.3769 -61.3219 11.3769 -48.2749 26.5274 -61.3219 26.5274 -15.5675 GPRESSAVG: 1847400 76.6629 9.27583 -59.743 12.4198 -47.6516 27.1178 -59.9519 27.726 -14.576 TIMING: 1847400 CPU: 5772.45, 0.00312988/step Wall: 5772.45, 0.00312988/step, 2.7409 hours remaining, 235.656250 MB of memory in use. ENERGY: 1847400 3988.3603 20500.0359 14465.1259 238.3530 -203442.9591 2788.5356 0.0000 0.0000 51996.1459 -109466.4025 298.8226 -161462.5484 -109102.8190 298.7433 -3.9733 23.3746 761527.5018 4.6468 4.8118 PRESSURE: 1847600 -67.4681 187.595 -28.0263 187.595 -70.3498 273.495 -28.0258 273.494 -235.829 GPRESSURE: 1847600 -10.2926 273.708 -81.7104 262.591 -78.4943 207.417 17.0863 274.857 -209.67 PRESSAVG: 1847600 42.5332 51.4334 1.99101 51.4334 -34.6074 24.9872 1.99103 24.9872 -13.3567 GPRESSAVG: 1847600 43.0492 53.383 -0.0867388 52.774 -34.9535 25.8329 2.69479 26.6851 -13.5315 TIMING: 1847600 CPU: 5773.07, 0.00311633/step Wall: 5773.07, 0.00311633/step, 2.72886 hours remaining, 235.656250 MB of memory in use. ENERGY: 1847600 4005.6043 20506.3045 14448.6123 235.0788 -203465.3467 2708.5572 0.0000 0.0000 51844.7868 -109716.4028 297.9527 -161561.1896 -109351.5778 298.6064 -124.5489 -99.4856 762723.1946 -1.8103 -1.8119 PRESSURE: 1847800 166.406 99.2823 -288.769 99.2817 -34.844 -97.94 -288.768 -97.9397 -120.581 GPRESSURE: 1847800 158.267 62.9392 -274.483 -44.2699 -8.67379 -83.187 -229.011 -46.1333 -64.6446 PRESSAVG: 1847800 79.152 51.6589 -1.23759 51.6589 -30.797 26.1103 -1.23758 26.1103 10.2536 GPRESSAVG: 1847800 79.7617 52.322 1.00451 49.1318 -30.5542 25.3528 -3.08582 25.2374 9.59891 TIMING: 1847800 CPU: 5773.7, 0.00312923/step Wall: 5773.7, 0.00312923/step, 2.73999 hours remaining, 235.656250 MB of memory in use. ENERGY: 1847800 4012.6881 20444.3677 14452.6123 243.3653 -203315.3357 2549.7814 0.0000 0.0000 51862.2781 -109750.2428 298.0532 -161612.5209 -109394.4571 298.2174 3.6605 28.3161 760986.6183 19.5362 19.6021 PRESSURE: 1848000 0.778341 -290.536 -21.148 -290.536 -133.334 -102.992 -21.1487 -102.992 6.98394 GPRESSURE: 1848000 -35.1791 -328.642 46.5941 -224.858 -60.6885 -75.8048 -64.1673 -51.8971 49.5389 PRESSAVG: 1848000 21.8002 35.0164 -20.7393 35.0164 -4.81923 -2.81374 -20.7393 -2.81377 -12.2157 GPRESSAVG: 1848000 21.43 31.228 -19.9157 36.3519 -5.39358 -2.97647 -19.5447 -3.12625 -11.6212 TIMING: 1848000 CPU: 5774.32, 0.00311976/step Wall: 5774.32, 0.00311976/step, 2.73153 hours remaining, 235.656250 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: 1848000 4064.0461 20466.1965 14451.5232 251.9876 -203688.4352 2898.1001 0.0000 0.0000 51932.0134 -109624.5683 298.4540 -161556.5816 -109259.2397 298.2482 -41.8572 -15.4429 761496.2275 1.5884 1.4718 PRESSURE: 1848200 312.847 51.4749 283.797 51.4747 -189.315 -118.079 283.797 -118.078 -305.297 GPRESSURE: 1848200 393.615 207.661 319.215 109.546 -204.682 -169.945 202.181 -9.37288 -267.272 PRESSAVG: 1848200 16.4778 4.69722 -14.2256 4.6972 -14.477 -11.5967 -14.2257 -11.5967 -36.8878 GPRESSAVG: 1848200 16.9995 6.30447 -14.6058 6.10668 -14.7188 -11.6171 -14.4042 -10.444 -36.7637 TIMING: 1848200 CPU: 5774.94, 0.00312577/step Wall: 5774.94, 0.00312577/step, 2.73661 hours remaining, 235.656250 MB of memory in use. ENERGY: 1848200 4009.0359 20556.2919 14467.3763 263.4796 -203133.1848 2596.1760 0.0000 0.0000 51665.4776 -109575.3475 296.9222 -161240.8251 -109214.0381 298.8298 -60.5880 -26.1129 763391.8345 -11.6290 -11.4943 LDB: ============= START OF LOAD BALANCING ============== 5787.42 LDB: ============== END OF LOAD BALANCING =============== 5787.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5787.42 LDB: ============= START OF LOAD BALANCING ============== 5787.74 LDB: Largest compute 6998 load 0.029773 is 15.3% of average load 0.194851 LDB: Average compute 0.004417 is 2.3% of average load 0.194851 LDB: TIME 5787.74 LOAD: AVG 0.194851 MAX 0.214622 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.113 MB LDB: TIME 5787.74 LOAD: AVG 0.194851 MAX 0.214622 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.113 MB LDB: TIME 5787.74 LOAD: AVG 0.194851 MAX 0.214622 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.113 MB LDB: ============== END OF LOAD BALANCING =============== 5787.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5787.75 PRESSURE: 1848400 7.61046 -226.714 279.522 -226.714 86.387 103.214 279.522 103.215 195.901 GPRESSURE: 1848400 37.7217 -150.884 249.5 -202.22 68.7238 104.033 248.117 138.555 264.704 PRESSAVG: 1848400 -34.5119 73.112 37.5105 73.1119 24.0474 -20.1121 37.5105 -20.112 13.2028 GPRESSAVG: 1848400 -33.8236 74.0414 37.5571 72.3723 23.608 -19.4201 35.8799 -21.1722 13.2035 TIMING: 1848400 CPU: 5775.58, 0.00319173/step Wall: 5775.58, 0.00319173/step, 2.79418 hours remaining, 235.988281 MB of memory in use. ENERGY: 1848400 4000.0118 20535.2514 14413.7541 259.0070 -203522.1376 2784.6193 0.0000 0.0000 51996.3981 -109533.0960 298.8240 -161529.4941 -109172.5351 298.2652 96.6329 123.7165 762221.5892 0.9128 0.9959 PRESSURE: 1848600 154.81 56.6197 -50.455 56.6205 273.776 -102.025 -50.4537 -102.026 -76.3936 GPRESSURE: 1848600 64.3794 35.6846 -16.5272 53.564 418.178 -140.203 -31.2837 -145.805 -73.7425 PRESSAVG: 1848600 28.1991 63.5792 44.9932 63.5792 -32.219 -43.6085 44.9932 -43.6085 -8.69185 GPRESSAVG: 1848600 27.8608 63.6447 44.9595 62.3638 -32.0854 -43.7024 47.3888 -43.8873 -8.96684 TIMING: 1848600 CPU: 5776.21, 0.00313161/step Wall: 5776.21, 0.00313162/step, 2.74138 hours remaining, 235.988281 MB of memory in use. ENERGY: 1848600 3994.8630 20571.7935 14452.3764 261.8857 -203632.3411 2900.2572 0.0000 0.0000 52128.6756 -109322.4897 299.5842 -161451.1652 -108942.8737 298.5195 117.3974 136.2717 761830.4426 -4.2372 -4.3971 PRESSURE: 1848800 -47.5446 -342.185 66.9008 -342.184 38.0222 -71.5002 66.8992 -71.5002 -296.956 GPRESSURE: 1848800 -11.1775 -296.241 28.5622 -282.864 50.7514 -25.9177 94.9325 -90.3651 -245.804 PRESSAVG: 1848800 1.10196 27.048 9.19196 27.0481 -9.46387 -42.4862 9.19197 -42.4863 2.44409 GPRESSAVG: 1848800 1.26928 25.3833 7.8343 28.3849 -8.59801 -44.235 6.63029 -42.1727 1.68407 TIMING: 1848800 CPU: 5776.84, 0.00313922/step Wall: 5776.84, 0.00313922/step, 2.74787 hours remaining, 235.988281 MB of memory in use. ENERGY: 1848800 3948.1733 20504.1380 14460.2304 258.4647 -203086.9654 2483.0235 0.0000 0.0000 52182.9416 -109249.9939 299.8961 -161432.9355 -108893.3563 299.2030 -102.1596 -68.7432 763029.8351 -1.9726 -1.8816 PRESSURE: 1849000 414.94 124.258 -151.204 124.258 -37.2699 -186.583 -151.204 -186.583 421.194 GPRESSURE: 1849000 484.232 105.592 -80.446 42.5171 68.217 -93.5385 -108.184 -135.007 358.926 PRESSAVG: 1849000 32.3179 24.0799 -31.1551 24.0799 14.8959 14.5918 -31.1551 14.5919 23.4496 GPRESSAVG: 1849000 31.2407 25.9721 -29.4447 23.3571 16.0618 15.6697 -28.7962 16.4893 23.6158 TIMING: 1849000 CPU: 5777.47, 0.0031441/step Wall: 5777.47, 0.0031441/step, 2.75197 hours remaining, 235.988281 MB of memory in use. ENERGY: 1849000 4057.9953 20660.0997 14469.9052 236.4571 -203559.3018 2983.8515 0.0000 0.0000 52192.6331 -108958.3599 299.9518 -161150.9930 -108605.8094 299.7643 266.2882 303.7918 761644.9314 23.5545 23.6394 PRESSURE: 1849200 315.665 -50.9306 181.366 -50.9311 87.7183 -6.18316 181.366 -6.18417 110.597 GPRESSURE: 1849200 350.502 -51.4177 79.1759 -26.7681 55.4155 61.4374 147.537 -81.7292 197.183 PRESSAVG: 1849200 9.32835 7.29726 20.6843 7.29721 -26.708 -45.6101 20.6844 -45.6102 5.85261 GPRESSAVG: 1849200 9.85408 4.79532 16.9807 9.64256 -28.3991 -43.6264 21.6847 -47.2914 7.16825 TIMING: 1849200 CPU: 5778.09, 0.00312651/step Wall: 5778.09, 0.00312651/step, 2.73639 hours remaining, 235.988281 MB of memory in use. ENERGY: 1849200 3943.2631 20486.9821 14457.5402 240.5301 -203276.4826 2847.5121 0.0000 0.0000 52246.8562 -109053.7987 300.2634 -161300.6549 -108683.8291 299.9583 171.3270 201.0337 763211.2494 -3.8423 -3.7922 PRESSURE: 1849400 -93.0279 221.615 -212.338 221.615 68.6337 -38.7028 -212.34 -38.7023 -158.227 GPRESSURE: 1849400 -135.545 308.362 -171.035 274.804 177.047 -89.936 -111.485 -56.5692 -146.15 PRESSAVG: 1849400 -9.67404 52.531 -9.17944 52.531 -6.3247 -30.2951 -9.17943 -30.2952 10.087 GPRESSAVG: 1849400 -9.93173 55.2018 -7.99912 50.8996 -4.79807 -33.1721 -11.0259 -30.0438 9.42436 TIMING: 1849400 CPU: 5778.71, 0.00311529/step Wall: 5778.71, 0.00311529/step, 2.7264 hours remaining, 235.988281 MB of memory in use. ENERGY: 1849400 3955.4820 20519.9157 14517.8613 262.2686 -202743.8613 2344.5846 0.0000 0.0000 51864.7600 -109278.9891 298.0675 -161143.7491 -108910.2494 299.4789 -60.8737 -34.8827 763610.7623 -1.9706 -1.7685 PRESSURE: 1849600 122.64 195.873 94.8326 195.874 358.371 101.692 94.8325 101.692 -126.56 GPRESSURE: 1849600 133.128 202.185 198.659 85.6361 353.57 -54.7741 130.79 125.246 -62.4179 PRESSAVG: 1849600 29.727 39.6982 15.8937 39.6982 -36.8879 -24.5785 15.8937 -24.5785 -16.3048 GPRESSAVG: 1849600 31.3374 38.3326 16.6095 39.354 -38.3536 -23.6821 13.5531 -24.3547 -16.1951 TIMING: 1849600 CPU: 5779.34, 0.00310732/step Wall: 5779.34, 0.00310732/step, 2.71925 hours remaining, 235.988281 MB of memory in use. ENERGY: 1849600 3973.0385 20626.8806 14415.8875 248.1187 -203260.0052 2730.4819 0.0000 0.0000 51900.5169 -109365.0811 298.2730 -161265.5980 -109002.1438 299.1160 118.1503 141.4265 763126.3192 -7.8219 -7.7371 PRESSURE: 1849800 -112.105 64.9395 -4.22635 64.9388 -311.488 83.2762 -4.22649 83.2746 -24.8986 GPRESSURE: 1849800 -55.8856 -2.08819 -122.585 50.4392 -233.167 111.657 190.808 32.7084 -89.1139 PRESSAVG: 1849800 -11.0346 39.3931 0.992107 39.3931 -16.2744 -54.6933 0.992099 -54.6933 13.3212 GPRESSAVG: 1849800 -11.785 37.6376 0.556132 42.7705 -16.0857 -54.4056 4.5051 -54.5813 13.9902 TIMING: 1849800 CPU: 5779.96, 0.00310928/step Wall: 5779.96, 0.00310928/step, 2.72079 hours remaining, 235.988281 MB of memory in use. ENERGY: 1849800 3969.0223 20570.0739 14433.2223 230.9229 -203482.6349 2858.3021 0.0000 0.0000 52056.8124 -109364.2790 299.1712 -161421.0915 -109009.4454 298.9452 -149.4971 -126.0556 762826.7255 -4.6626 -4.6268 PRESSURE: 1850000 74.5994 -184.143 -101.029 -184.143 146.91 -72.9529 -101.028 -72.9531 -138.707 GPRESSURE: 1850000 71.1144 -249.328 -47.7607 -216.854 160.451 -8.11841 39.506 -65.529 -67.842 PRESSAVG: 1850000 11.918 -12.4129 -15.8201 -12.4129 -18.8819 0.0395971 -15.8202 0.0397313 4.47211 GPRESSAVG: 1850000 11.7121 -10.3605 -15.6743 -12.2395 -18.8733 0.467093 -14.8663 -1.59762 4.1641 TIMING: 1850000 CPU: 5780.58, 0.00312137/step Wall: 5780.58, 0.00312137/step, 2.7312 hours remaining, 235.988281 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: 1850000 3982.1390 20469.3362 14428.6246 249.6214 -203476.4550 2936.9987 0.0000 0.0000 52049.0745 -109360.6607 299.1267 -161409.7352 -108997.8595 299.3932 27.6009 54.5744 762293.7461 -0.8306 -0.9991 PRESSURE: 1850200 -301.186 169.297 33.6996 169.297 -330.753 -2.76216 33.6989 -2.76256 -297.45 GPRESSURE: 1850200 -185.184 275.246 -17.378 148.825 -346.657 55.6656 -110.865 -84.3268 -315.049 PRESSAVG: 1850200 23.5366 47.1632 -22.1806 47.1631 -25.121 17.6254 -22.1806 17.6255 -9.33295 GPRESSAVG: 1850200 23.3725 49.0801 -23.3524 42.4688 -24.9495 17.2317 -24.602 17.7801 -9.16635 TIMING: 1850200 CPU: 5781.2, 0.00309756/step Wall: 5781.2, 0.00309756/step, 2.71019 hours remaining, 235.988281 MB of memory in use. ENERGY: 1850200 3969.5037 20413.2475 14494.0279 254.1058 -203300.9807 2473.2378 0.0000 0.0000 52223.1501 -109473.7079 300.1272 -161696.8580 -109102.9176 299.1702 -309.7965 -282.2966 762852.4962 -3.6391 -3.5811 PRESSURE: 1850400 -210.071 58.6993 -144.85 58.6992 150.128 99.2189 -144.85 99.2195 -153.062 GPRESSURE: 1850400 -167.689 17.3393 -198.301 151.497 132.092 28.107 -134.639 86.0669 -72.8204 PRESSAVG: 1850400 22.4245 26.5206 -53.9308 26.5207 -31.0459 -13.8633 -53.9309 -13.8633 -14.4604 GPRESSAVG: 1850400 22.0789 23.251 -51.8461 28.191 -31.1207 -14.8454 -54.0781 -14.6342 -13.5143 TIMING: 1850400 CPU: 5781.82, 0.0031111/step Wall: 5781.82, 0.0031111/step, 2.72187 hours remaining, 235.988281 MB of memory in use. ENERGY: 1850400 3986.7817 20527.3549 14481.7867 239.5475 -203640.6904 2860.7442 0.0000 0.0000 52199.1678 -109345.3076 299.9893 -161544.4754 -108984.4609 299.0391 -71.0019 -36.1392 762870.2102 -7.6939 -7.5187 PRESSURE: 1850600 131.829 21.4236 -96.8956 21.4235 -340.377 13.8099 -96.8948 13.8097 89.5173 GPRESSURE: 1850600 170.441 80.8221 -81.7504 -42.1602 -271.306 -37.5768 -53.4617 74.7808 72.2516 PRESSAVG: 1850600 -16.6125 48.7865 -47.2491 48.7866 8.97695 -31.7745 -47.2492 -31.7746 33.2609 GPRESSAVG: 1850600 -15.8728 51.4628 -49.0345 50.2116 8.60198 -31.7742 -44.913 -30.0407 33.0263 TIMING: 1850600 CPU: 5782.45, 0.00312702/step Wall: 5782.45, 0.00312702/step, 2.73562 hours remaining, 235.988281 MB of memory in use. ENERGY: 1850600 4110.5748 20574.3721 14411.4495 239.6917 -203261.3623 2581.2489 0.0000 0.0000 51759.3247 -109584.7007 297.4616 -161344.0254 -109229.5257 298.8488 -39.6767 -9.5376 762492.6098 8.5418 8.5852 PRESSURE: 1850800 -172.777 -108.803 138.609 -108.803 67.2492 -118.446 138.61 -118.445 65.6098 GPRESSURE: 1850800 -125.408 -21.7339 66.0602 39.6652 85.5596 -86.9035 131.878 -152.757 73.8041 PRESSAVG: 1850800 29.3574 8.98197 -54.1657 8.98189 37.8295 -7.05955 -54.1658 -7.05959 8.14672 GPRESSAVG: 1850800 30.1287 6.17054 -52.5224 8.39302 38.1334 -6.40396 -54.7013 -6.1885 6.95933 TIMING: 1850800 CPU: 5783.07, 0.00311556/step Wall: 5783.07, 0.00311557/step, 2.72543 hours remaining, 235.988281 MB of memory in use. ENERGY: 1850800 4017.2510 20534.9434 14472.8623 245.2180 -203636.0956 2753.0945 0.0000 0.0000 52022.3977 -109590.3289 298.9734 -161612.7266 -109222.2228 298.9425 -13.3058 11.3185 762777.0293 25.1112 25.0738 PRESSURE: 1851000 197.57 86.8519 -6.18318 86.8512 520.237 61.1223 -6.18334 61.1231 98.7065 GPRESSURE: 1851000 262.046 67.2341 6.00795 192.109 549.206 9.68557 37.0244 9.30761 70.2896 PRESSAVG: 1851000 -36.041 71.4406 -37.501 71.4405 13.1394 15.4293 -37.501 15.4293 -10.2326 GPRESSAVG: 1851000 -37.5384 71.7085 -36.3852 71.0151 14.3191 15.9296 -40.0659 13.1544 -9.78216 TIMING: 1851000 CPU: 5783.69, 0.00311495/step Wall: 5783.69, 0.00311495/step, 2.72472 hours remaining, 235.988281 MB of memory in use. ENERGY: 1851000 3943.0861 20506.5482 14420.9151 252.3377 -203534.1963 2796.1193 0.0000 0.0000 51902.3571 -109712.8328 298.2836 -161615.1900 -109347.7618 298.3223 272.1715 293.8470 763880.9470 -11.0447 -11.0005 PRESSURE: 1851200 32.2443 87.5156 65.6019 87.516 -6.31862 -269.613 65.6021 -269.612 8.3631 GPRESSURE: 1851200 27.9307 191.737 75.4245 120.697 121.095 -230.653 90.9778 -105.221 -47.3169 PRESSAVG: 1851200 -53.2543 8.98616 -37.3801 8.98614 61.0726 0.569045 -37.3801 0.569041 -10.7816 GPRESSAVG: 1851200 -52.6593 10.6172 -38.6799 8.97532 60.4726 1.83594 -36.1452 1.9869 -10.4383 TIMING: 1851200 CPU: 5784.32, 0.00310621/step Wall: 5784.32, 0.00310621/step, 2.7169 hours remaining, 235.988281 MB of memory in use. ENERGY: 1851200 3966.0545 20569.5023 14390.4037 245.7366 -203692.8265 2867.8456 0.0000 0.0000 52038.5945 -109614.6895 299.0665 -161653.2839 -109240.1442 298.7106 11.4296 33.9030 762835.9657 -0.9878 -0.8750 PRESSURE: 1851400 316.576 -45.2944 71.4815 -45.294 68.4717 -205.94 71.4817 -205.94 -120.378 GPRESSURE: 1851400 320.691 -88.4932 129.332 -46.0111 133.432 -237.524 94.4315 -177.394 -105.287 PRESSAVG: 1851400 11.0905 18.7733 -20.8721 18.7734 -24.3281 58.9446 -20.8721 58.9446 3.55578 GPRESSAVG: 1851400 11.6622 19.9999 -19.4065 20.6014 -24.8376 56.1166 -20.0982 59.8645 3.54974 TIMING: 1851400 CPU: 5784.94, 0.00310236/step Wall: 5784.94, 0.00310235/step, 2.71335 hours remaining, 235.988281 MB of memory in use. ENERGY: 1851400 3988.9825 20530.5430 14488.1543 252.7661 -203816.5045 2964.8371 0.0000 0.0000 52005.5319 -109585.6895 298.8765 -161591.2214 -109227.8398 298.3221 88.2235 116.2783 762379.6611 -3.2273 -3.2086 PRESSURE: 1851600 -90.0472 309.703 -39.7496 309.703 -202.98 -114.395 -39.75 -114.394 -46.7247 GPRESSURE: 1851600 -43.4573 214.731 12.5634 245.001 -256.452 -52.4486 -101.33 -4.09279 30.9497 PRESSAVG: 1851600 -47.9828 6.58329 -9.29713 6.58327 29.7913 14.183 -9.29716 14.183 -3.87979 GPRESSAVG: 1851600 -49.0749 5.47353 -12.0073 4.30111 29.3755 13.3232 -10.7505 16.0518 -2.53933 TIMING: 1851600 CPU: 5785.56, 0.0031221/step Wall: 5785.56, 0.0031221/step, 2.73045 hours remaining, 235.988281 MB of memory in use. ENERGY: 1851600 4093.6889 20470.9751 14519.7378 257.7719 -203483.0155 2689.9382 0.0000 0.0000 52244.7618 -109206.1418 300.2514 -161450.9036 -108836.7994 299.3061 -113.2507 -89.6531 762153.5453 -7.3571 -7.4129 PRESSURE: 1851800 -31.4392 -71.0791 -301.756 -71.0787 -117.477 29.5925 -301.756 29.5933 243.255 GPRESSURE: 1851800 50.5633 -35.0523 -242.771 -25.0085 -73.139 6.66965 -226.822 90.2563 185.004 PRESSAVG: 1851800 19.3461 -17.698 -23.2982 -17.698 -8.09492 36.2769 -23.2983 36.2769 -15.9718 GPRESSAVG: 1851800 19.2798 -16.3767 -20.875 -16.8459 -6.90656 39.6364 -23.9785 33.4198 -17.3181 TIMING: 1851800 CPU: 5786.18, 0.00311598/step Wall: 5786.18, 0.00311598/step, 2.72493 hours remaining, 235.988281 MB of memory in use. ENERGY: 1851800 4078.9757 20408.6492 14447.7966 253.0351 -203459.8978 2769.9188 0.0000 0.0000 52118.5442 -109382.9783 299.5260 -161501.5225 -109026.2006 299.7832 31.4464 54.1427 762888.2325 -1.5735 -1.6483 PRESSURE: 1852000 -121.892 -113.946 -191.089 -113.945 -398.666 94.1337 -191.088 94.1349 -136.02 GPRESSURE: 1852000 -146.638 -151.796 -241.74 -163.612 -375.677 117.073 25.5707 75.4276 -71.0582 PRESSAVG: 1852000 -19.9383 -50.844 -7.64585 -50.844 -0.90458 -10.9988 -7.6459 -10.9988 4.98456 GPRESSAVG: 1852000 -18.9374 -51.6231 -8.71598 -50.5922 -2.64717 -12.664 -8.65488 -10.9727 5.46395 TIMING: 1852000 CPU: 5786.81, 0.00312672/step Wall: 5786.81, 0.00312672/step, 2.73414 hours remaining, 235.988281 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: 1852000 4030.3698 20528.5874 14494.5234 246.3846 -203033.1085 2594.4527 0.0000 0.0000 51837.4724 -109301.3182 297.9107 -161138.7906 -108946.6373 298.9396 -218.8593 -197.7910 764783.3645 -5.2861 -5.3735 PRESSURE: 1852200 -38.2185 47.8901 -166.616 47.8908 -130.245 -139.939 -166.616 -139.939 257.438 GPRESSURE: 1852200 -16.1488 58.4046 -118.51 -1.39009 -75.6924 -168.881 -166.05 -87.359 260.936 PRESSAVG: 1852200 21.671 -26.7364 -78.4121 -26.7364 -15.1123 -13.5058 -78.4122 -13.5058 12.9602 GPRESSAVG: 1852200 22.2563 -24.6294 -77.0129 -29.9086 -14.1431 -14.7687 -77.8678 -12.8705 11.1955 TIMING: 1852200 CPU: 5787.43, 0.00312587/step Wall: 5787.43, 0.00312587/step, 2.73323 hours remaining, 235.988281 MB of memory in use. ENERGY: 1852200 4007.3468 20568.7206 14521.4445 231.0406 -203482.7112 3048.1825 0.0000 0.0000 51655.2708 -109450.7054 296.8636 -161105.9763 -109088.1074 298.7153 29.6581 56.3651 763347.3952 6.5063 6.4362 LDB: ============= START OF LOAD BALANCING ============== 5799.91 LDB: ============== END OF LOAD BALANCING =============== 5799.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5799.91 LDB: ============= START OF LOAD BALANCING ============== 5800.23 LDB: Largest compute 6998 load 0.029462 is 15.1% of average load 0.194918 LDB: Average compute 0.004406 is 2.3% of average load 0.194918 LDB: TIME 5800.23 LOAD: AVG 0.194918 MAX 0.214685 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.758 MB LDB: TIME 5800.23 LOAD: AVG 0.194918 MAX 0.214685 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.961 MB LDB: TIME 5800.23 LOAD: AVG 0.194918 MAX 0.214685 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.961 MB LDB: ============== END OF LOAD BALANCING =============== 5800.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5800.24 PRESSURE: 1852400 155.587 26.0521 241.494 26.0521 62.3619 -95.8287 241.495 -95.8286 266.171 GPRESSURE: 1852400 179.135 -57.1232 251.213 -18.1094 159.685 -141.516 275.753 -57.0011 230.219 PRESSAVG: 1852400 -33.4122 30.8934 33.4954 30.8934 30.0615 -31.0064 33.4954 -31.0064 -15.8947 GPRESSAVG: 1852400 -33.7246 27.4243 31.037 31.9521 30.2919 -29.5766 36.714 -32.1373 -15.8602 TIMING: 1852400 CPU: 5788.07, 0.00317811/step Wall: 5788.07, 0.00317811/step, 2.77873 hours remaining, 234.250000 MB of memory in use. ENERGY: 1852400 3986.2513 20234.1441 14473.4584 230.5806 -203589.5736 2921.8471 0.0000 0.0000 52068.0839 -109675.2082 299.2360 -161743.2922 -109306.9516 298.2449 161.3735 189.6795 762298.5306 -6.4151 -6.4310 PRESSURE: 1852600 -16.4631 65.7977 185.421 65.7984 -221.537 56.0471 185.42 56.0467 -20.8249 GPRESSURE: 1852600 -23.5663 183.416 313.694 71.6488 -163.435 140.621 170.988 -63.3528 10.0603 PRESSAVG: 1852600 11.4685 28.0101 30.8063 28.0101 16.403 70.2712 30.8063 70.2713 4.984 GPRESSAVG: 1852600 10.3075 31.3871 30.4724 28.1633 16.0757 69.6458 29.3798 70.0308 5.6815 TIMING: 1852600 CPU: 5788.69, 0.00310417/step Wall: 5788.69, 0.00310417/step, 2.71391 hours remaining, 234.250000 MB of memory in use. ENERGY: 1852600 3989.8904 20436.4386 14503.4741 246.6327 -203443.3018 2805.2732 0.0000 0.0000 51569.1329 -109892.4598 296.3685 -161461.5927 -109536.3326 297.8933 -86.2750 -58.9804 762762.5273 10.9518 10.6883 PRESSURE: 1852800 54.6549 -24.4153 -44.8837 -24.4143 -221.488 224.745 -44.8836 224.747 -22.261 GPRESSURE: 1852800 126.729 18.3968 -103.271 -88.0627 -178.851 256.317 -37.1768 199.448 -30.7476 PRESSAVG: 1852800 26.6153 33.2578 63.6316 33.2578 2.30353 43.8369 63.6316 43.8369 10.9755 GPRESSAVG: 1852800 28.0029 31.9858 62.685 35.5257 0.88204 43.257 64.32 45.8696 10.833 TIMING: 1852800 CPU: 5789.31, 0.00310914/step Wall: 5789.31, 0.00310914/step, 2.71808 hours remaining, 234.250000 MB of memory in use. ENERGY: 1852800 4020.4542 20441.4943 14481.8568 249.2884 -203858.2317 3056.5429 0.0000 0.0000 51689.8354 -109918.7597 297.0622 -161608.5951 -109565.7991 297.7117 -63.0315 -27.6232 761696.8483 13.2981 13.2393 PRESSURE: 1853000 -81.5293 -122.356 206.544 -122.356 -101.452 -20.5851 206.543 -20.585 -270.461 GPRESSURE: 1853000 -43.7998 -208.104 268.212 -151.035 -38.8924 -33.2126 90.0528 -58.1199 -248.881 PRESSAVG: 1853000 34.0856 30.368 4.92863 30.3679 2.33579 30.2123 4.92861 30.2123 3.70304 GPRESSAVG: 1853000 34.283 28.8021 6.14899 30.5357 3.3636 30.5365 5.45917 28.7362 3.58166 TIMING: 1853000 CPU: 5789.94, 0.00311889/step Wall: 5789.94, 0.00311889/step, 2.72643 hours remaining, 234.250000 MB of memory in use. ENERGY: 1853000 3988.9292 20472.7866 14425.9571 233.5965 -203031.5924 2502.5548 0.0000 0.0000 51560.7948 -109846.9734 296.3206 -161407.7682 -109495.4052 297.7819 -151.1476 -110.5245 759939.6836 13.3748 13.7427 PRESSURE: 1853200 260.159 36.1946 361.676 36.1939 -175.79 -167.965 361.675 -167.964 -162.485 GPRESSURE: 1853200 298.422 -1.40653 396.691 39.2409 -166.851 -130.933 306.07 -209.451 -136.664 PRESSAVG: 1853200 19.6832 -16.3318 5.10799 -16.3318 4.41052 0.944275 5.10802 0.944273 14.3913 GPRESSAVG: 1853200 18.6426 -13.9439 6.9389 -18.0766 4.46359 0.127866 4.11437 1.76954 14.886 TIMING: 1853200 CPU: 5790.56, 0.00310869/step Wall: 5790.56, 0.00310869/step, 2.71734 hours remaining, 234.250000 MB of memory in use. ENERGY: 1853200 4010.1778 20461.3582 14454.0894 269.5865 -203263.4920 2502.7277 0.0000 0.0000 51682.3120 -109883.2405 297.0190 -161565.5525 -109526.7761 297.9475 -26.0387 -1.6975 760822.3338 12.8283 12.6640 PRESSURE: 1853400 -74.6103 -124.301 -18.0522 -124.301 -465.488 67.7445 -18.0517 67.7449 -159.229 GPRESSURE: 1853400 -86.8872 47.4599 13.9027 -134.396 -367.402 15.4801 58.4597 59.198 -161.393 PRESSAVG: 1853400 24.3277 -26.1579 35.8401 -26.1579 -18.3478 29.2741 35.8401 29.2741 -2.26232 GPRESSAVG: 1853400 25.5522 -27.3234 33.7795 -23.9228 -18.6988 29.774 37.5403 28.2092 -2.61087 TIMING: 1853400 CPU: 5791.18, 0.00311637/step Wall: 5791.18, 0.00311637/step, 2.72388 hours remaining, 234.250000 MB of memory in use. ENERGY: 1853400 3993.0476 20296.9771 14460.0346 236.2504 -203550.9861 2721.4469 0.0000 0.0000 51997.7420 -109845.4875 298.8317 -161843.2295 -109479.0631 297.6393 -233.1093 -205.2272 762116.7341 1.2392 1.4142 PRESSURE: 1853600 69.3438 165.731 -96.37 165.731 343.83 -253.879 -96.3704 -253.879 437.802 GPRESSURE: 1853600 112.093 116.357 -77.8249 112.358 356.054 -237.684 -73.5077 -206.183 461.854 PRESSAVG: 1853600 -47.367 64.6332 -10.2957 64.6333 10.5604 62.3109 -10.2957 62.3109 -21.7575 GPRESSAVG: 1853600 -47.4582 62.6754 -9.54806 66.2007 10.7494 61.6252 -10.818 62.4889 -22.1803 TIMING: 1853600 CPU: 5791.8, 0.00310001/step Wall: 5791.8, 0.00310001/step, 2.70941 hours remaining, 234.250000 MB of memory in use. ENERGY: 1853600 3894.9860 20412.3751 14518.6435 240.4329 -203812.1142 2922.2137 0.0000 0.0000 52048.8543 -109774.6087 299.1255 -161823.4630 -109413.6547 298.4020 283.6585 310.0004 761527.9997 -19.5214 -19.6297 PRESSURE: 1853800 -125.321 -97.3509 -42.2403 -97.3512 84.0443 60.4074 -42.2406 60.4081 448.665 GPRESSURE: 1853800 -32.1685 -95.2983 -69.9837 -45.3158 121.528 37.7124 52.9737 11.4459 400.894 PRESSAVG: 1853800 -18.6282 30.8745 -40.3862 30.8745 0.0937085 22.0189 -40.3862 22.0189 8.01913 GPRESSAVG: 1853800 -19.0186 31.8754 -39.8687 26.3558 1.06382 21.8737 -39.7836 22.5944 7.94769 TIMING: 1853800 CPU: 5792.42, 0.00310049/step Wall: 5792.42, 0.00310049/step, 2.70966 hours remaining, 234.250000 MB of memory in use. ENERGY: 1853800 3943.2583 20537.3881 14467.3913 251.0313 -203380.4776 2642.7306 0.0000 0.0000 51812.5777 -109726.1003 297.7676 -161538.6780 -109368.5766 298.4928 135.7962 163.4180 761200.0069 -3.5051 -3.3357 PRESSURE: 1854000 -168.786 89.3005 93.036 89.3009 127.337 46.7677 93.035 46.7675 -139.629 GPRESSURE: 1854000 -76.2233 1.48389 141.982 73.625 136.062 -3.77193 44.8551 57.5688 -151.308 PRESSAVG: 1854000 -54.2449 4.93302 17.9081 4.93299 73.0802 10.2104 17.9081 10.2104 11.9384 GPRESSAVG: 1854000 -53.178 4.98855 16.4843 7.05926 70.8201 10.3277 16.4883 8.80279 12.8928 TIMING: 1854000 CPU: 5793.04, 0.00310878/step Wall: 5793.04, 0.00310878/step, 2.71672 hours remaining, 234.250000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1854000 3936.4946 20589.7797 14456.5070 254.6986 -203168.9839 2626.6909 0.0000 0.0000 51598.6071 -109706.2060 296.5379 -161304.8131 -109342.3599 297.9597 -60.3596 -30.4897 761631.8354 10.2579 10.1783 PRESSURE: 1854200 -110.217 54.5034 198.866 54.5032 -361.886 209.593 198.867 209.592 -448.063 GPRESSURE: 1854200 -88.2087 142.487 172.288 -54.4511 -266.994 129.298 52.6674 333.289 -471.092 PRESSAVG: 1854200 7.26053 17.7528 11.429 17.7528 37.4303 48.4305 11.429 48.4304 -2.63127 GPRESSAVG: 1854200 7.09697 18.7942 12.601 19.8018 38.1335 48.607 8.9897 48.089 -3.223 TIMING: 1854200 CPU: 5793.67, 0.00311302/step Wall: 5793.67, 0.00311302/step, 2.72026 hours remaining, 234.250000 MB of memory in use. ENERGY: 1854200 3981.9626 20610.9775 14441.3235 233.1151 -203113.1953 2336.0849 0.0000 0.0000 51831.2034 -109678.5282 297.8746 -161509.7316 -109332.9442 298.1167 -306.7219 -275.4314 762837.6301 14.0198 14.0025 PRESSURE: 1854400 -93.3217 17.1855 143.506 17.185 1.78248 142.728 143.506 142.729 -196.241 GPRESSURE: 1854400 -152.375 63.9753 109.728 33.0288 125.128 181.959 104.417 -48.7743 -153.4 PRESSAVG: 1854400 -39.9967 22.263 77.6101 22.2631 37.5857 47.7433 77.6101 47.7434 -11.7599 GPRESSAVG: 1854400 -40.0532 22.459 76.4058 20.1464 39.7338 48.2459 80.1256 49.325 -13.1157 TIMING: 1854400 CPU: 5794.29, 0.00310808/step Wall: 5794.29, 0.00310808/step, 2.71577 hours remaining, 234.250000 MB of memory in use. ENERGY: 1854400 3973.5329 20434.1019 14405.7577 247.5749 -203102.5825 2655.2508 0.0000 0.0000 51950.7013 -109435.6629 298.5614 -161386.3642 -109067.3596 298.6265 -95.9267 -60.2156 762256.7128 -4.7236 -4.4783 PRESSURE: 1854600 39.9569 -5.26771 -43.1658 -5.26698 392.613 -18.8241 -43.1654 -18.823 407.519 GPRESSURE: 1854600 151.862 -27.2344 -7.61543 84.6487 413.672 -109.155 -67.7614 91.7227 378.153 PRESSAVG: 1854600 -43.267 -5.3364 -3.73459 -5.33643 47.7853 13.7758 -3.73457 13.7759 24.4398 GPRESSAVG: 1854600 -42.4795 -6.74882 -1.35939 -5.51745 46.327 13.9393 -3.60253 13.7054 24.6232 TIMING: 1854600 CPU: 5794.91, 0.00310888/step Wall: 5794.91, 0.00310888/step, 2.7163 hours remaining, 234.250000 MB of memory in use. ENERGY: 1854600 3994.9450 20559.8538 14397.2425 250.1136 -203399.0277 3002.7073 0.0000 0.0000 51838.2112 -109355.9543 297.9149 -161194.1655 -108997.6025 298.6815 280.0297 314.5623 760356.1282 9.6527 9.4902 PRESSURE: 1854800 -12.4973 -178.669 101.012 -178.67 -393.308 76.1715 101.011 76.1726 60.7253 GPRESSURE: 1854800 55.6882 -125.567 80.985 -122.11 -367.39 -38.3527 106.027 25.3986 57.413 PRESSAVG: 1854800 -34.1877 25.3619 10.0686 25.3618 -0.744871 24.3501 10.0687 24.3501 -12.0358 GPRESSAVG: 1854800 -35.2835 26.2491 8.62886 27.8468 -1.58694 24.022 9.79226 24.2325 -10.3928 TIMING: 1854800 CPU: 5795.53, 0.00310311/step Wall: 5795.53, 0.00310311/step, 2.71109 hours remaining, 234.250000 MB of memory in use. ENERGY: 1854800 4012.6368 20485.1811 14421.4528 246.7749 -202676.5352 2235.8862 0.0000 0.0000 51920.2411 -109354.3622 298.3863 -161274.6033 -108990.2179 298.7611 -115.0266 -84.7628 762630.4419 -15.6561 -15.7544 PRESSURE: 1855000 -99.5679 -73.8073 161.681 -73.8073 -275.278 104.98 161.68 104.98 65.2106 GPRESSURE: 1855000 -27.4121 -13.9203 154.35 -166.973 -269.71 125.308 278.519 97.9645 91.51 PRESSAVG: 1855000 3.2979 -11.3731 -10.1442 -11.3731 36.2077 -17.3982 -10.1441 -17.3981 19.2857 GPRESSAVG: 1855000 3.80194 -13.235 -10.6496 -14.9054 36.2537 -16.1908 -8.8533 -20.2274 18.9481 TIMING: 1855000 CPU: 5796.16, 0.00312451/step Wall: 5796.16, 0.00312451/step, 2.72961 hours remaining, 234.250000 MB of memory in use. ENERGY: 1855000 4015.9584 20423.3151 14456.0216 234.2029 -203387.6308 2944.7450 0.0000 0.0000 52110.3595 -109203.0283 299.4790 -161313.3878 -108838.9216 299.1975 -103.2118 -68.5375 763249.6952 19.5971 19.6679 PRESSURE: 1855200 -195.554 -60.5136 -59.3834 -60.5137 93.7287 212.558 -59.3826 212.558 53.3863 GPRESSURE: 1855200 -98.057 -20.5439 -13.835 -96.2504 92.7716 200.822 -45.2413 149.386 47.1067 PRESSAVG: 1855200 -26.4327 -34.2496 6.01031 -34.2496 29.2614 54.749 6.01036 54.749 1.20019 GPRESSAVG: 1855200 -26.3859 -30.9016 5.74013 -34.7817 29.6227 54.0148 4.19059 56.6297 1.14286 TIMING: 1855200 CPU: 5796.78, 0.00312629/step Wall: 5796.78, 0.00312629/step, 2.73099 hours remaining, 234.250000 MB of memory in use. ENERGY: 1855200 3938.2700 20485.0521 14446.1881 243.5889 -203219.5910 2662.2851 0.0000 0.0000 52280.8313 -109163.3754 300.4587 -161444.2067 -108803.5182 299.6286 -16.1462 13.9405 763656.3881 1.3430 1.4599 PRESSURE: 1855400 -26.8463 -52.2739 6.2905 -52.2739 171.988 76.421 6.291 76.4202 282.709 GPRESSURE: 1855400 -5.62766 -30.5368 -76.3977 23.6708 247.264 -2.01809 8.30949 79.8602 245.691 PRESSAVG: 1855400 15.9133 8.41417 62.0163 8.4142 -17.6255 -5.27587 62.0163 -5.27588 6.54441 GPRESSAVG: 1855400 17.4488 6.7792 62.7995 10.2107 -19.0867 -6.03596 61.286 -3.54564 6.5014 TIMING: 1855400 CPU: 5797.41, 0.00312585/step Wall: 5797.41, 0.00312585/step, 2.73043 hours remaining, 234.250000 MB of memory in use. ENERGY: 1855400 3966.9981 20592.2106 14491.6148 261.1649 -203498.2206 2703.5021 0.0000 0.0000 52263.7987 -109218.9315 300.3608 -161482.7302 -108852.1056 299.2768 142.6169 162.4424 762438.0464 1.6107 1.6212 PRESSURE: 1855600 61.0139 143.507 30.0604 143.506 208.868 -29.0229 30.0605 -29.0221 200.879 GPRESSURE: 1855600 5.46497 145.02 99.0636 114.451 287.113 -71.9324 104.506 -95.0985 267.763 PRESSAVG: 1855600 -10.7845 -1.90011 8.96775 -1.90019 6.58298 -27.98 8.96774 -27.98 20.596 GPRESSAVG: 1855600 -10.95 -1.66086 8.10448 -3.15685 7.47545 -27.2543 12.3186 -29.1973 19.7366 TIMING: 1855600 CPU: 5798.03, 0.00312499/step Wall: 5798.03, 0.00312499/step, 2.72951 hours remaining, 234.250000 MB of memory in use. ENERGY: 1855600 4049.8630 20498.1826 14508.8660 245.9746 -203479.0389 2900.4624 0.0000 0.0000 52244.8735 -109030.8170 300.2520 -161275.6904 -108679.3751 299.1929 156.9201 186.7802 762040.7490 5.4648 5.4207 PRESSURE: 1855800 6.52718 -28.5116 120.878 -28.5099 -257.589 -92.2496 120.877 -92.248 -225.85 GPRESSURE: 1855800 31.3293 -61.3879 94.4695 0.806828 -162.242 -126.844 71.0026 -4.45775 -245.5 PRESSAVG: 1855800 -22.1198 76.4127 -11.8161 76.4127 9.25581 51.6106 -11.8161 51.6105 -8.70431 GPRESSAVG: 1855800 -23.2696 74.6403 -12.4869 77.3446 10.9457 51.6358 -13.9396 52.1677 -8.55088 TIMING: 1855800 CPU: 5798.65, 0.00311005/step Wall: 5798.65, 0.00311005/step, 2.71628 hours remaining, 234.250000 MB of memory in use. ENERGY: 1855800 4129.2639 20507.7863 14393.7762 250.3899 -203394.0309 2909.3254 0.0000 0.0000 52261.1488 -108942.3404 300.3455 -161203.4892 -108587.4828 299.8512 -158.9706 -125.4707 762452.0070 -7.1894 -6.9582 PRESSURE: 1856000 -393.79 48.4641 19.168 48.4638 -227.96 29.8299 19.1677 29.8309 346.209 GPRESSURE: 1856000 -359.41 129.841 122.796 2.47004 -147.492 114.516 -27.409 -14.1575 317.934 PRESSAVG: 1856000 -42.5393 54.2366 -20.7534 54.2365 56.2463 -28.1327 -20.7534 -28.1327 18.1066 GPRESSAVG: 1856000 -41.247 57.5944 -20.8865 53.8073 54.6286 -28.3412 -18.163 -27.5892 18.2908 TIMING: 1856000 CPU: 5799.27, 0.00311089/step Wall: 5799.27, 0.00311089/step, 2.71684 hours remaining, 234.250000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1856000 3987.9938 20590.9941 14503.8518 240.5149 -202889.9538 2643.1038 0.0000 0.0000 52137.4668 -108786.0286 299.6347 -160923.4954 -108425.9550 299.7834 -91.8469 -62.9893 763133.0219 10.6046 10.5575 PRESSURE: 1856200 -29.2014 -195.526 252.677 -195.526 -202.219 36.163 252.677 36.1636 -151.424 GPRESSURE: 1856200 -118.165 -149.492 269.89 -77.6847 -79.8305 -47.6366 177.224 115.245 -96.0118 PRESSAVG: 1856200 -78.9272 -17.0448 66.4464 -17.0448 67.7306 -27.9204 66.4464 -27.9203 -1.42128 GPRESSAVG: 1856200 -79.5644 -18.4343 67.6487 -15.9854 68.5815 -28.1193 63.5939 -31.5753 -1.69184 TIMING: 1856200 CPU: 5799.9, 0.00311295/step Wall: 5799.9, 0.00311295/step, 2.71847 hours remaining, 234.250000 MB of memory in use. ENERGY: 1856200 3933.0414 20544.6267 14507.6156 246.0922 -202958.3947 2485.8560 0.0000 0.0000 52381.5682 -108859.5946 301.0376 -161241.1629 -108490.9855 299.8205 -127.6148 -98.0025 762987.9237 -4.2059 -4.2249 LDB: ============= START OF LOAD BALANCING ============== 5812.37 LDB: ============== END OF LOAD BALANCING =============== 5812.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5812.38 LDB: ============= START OF LOAD BALANCING ============== 5812.69 LDB: Largest compute 6985 load 0.030317 is 15.5% of average load 0.195031 LDB: Average compute 0.004399 is 2.3% of average load 0.195031 LDB: TIME 5812.69 LOAD: AVG 0.195031 MAX 0.214106 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.543 MB LDB: TIME 5812.69 LOAD: AVG 0.195031 MAX 0.214106 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.547 MB LDB: TIME 5812.69 LOAD: AVG 0.195031 MAX 0.214106 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.547 MB LDB: ============== END OF LOAD BALANCING =============== 5812.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5812.7 PRESSURE: 1856400 13.3496 -86.5962 35.6175 -86.5957 -362.377 133.379 35.6168 133.378 -209.673 GPRESSURE: 1856400 65.3414 -99.3092 91.6062 -77.9976 -341.971 142.07 -71.0327 159.032 -183.853 PRESSAVG: 1856400 -19.5302 32.6003 47.753 32.6002 5.83848 59.113 47.753 59.113 1.56896 GPRESSAVG: 1856400 -19.82 31.1347 47.5408 33.3782 5.75603 58.1239 48.4088 60.277 2.63111 TIMING: 1856400 CPU: 5800.53, 0.00317826/step Wall: 5800.53, 0.00317826/step, 2.77533 hours remaining, 236.300781 MB of memory in use. ENERGY: 1856400 3970.2671 20556.9873 14511.4178 246.2522 -203033.0021 2635.9351 0.0000 0.0000 52271.9141 -108840.2285 300.4074 -161112.1425 -108468.8292 299.9932 -186.2337 -153.4941 764324.0721 -4.0409 -3.8109 PRESSURE: 1856600 -158.829 -59.6357 145.44 -59.6366 117.953 -449.402 145.44 -449.401 -579.899 GPRESSURE: 1856600 -224.9 40.3732 103.547 42.3769 71.7691 -377.713 -3.64876 -388.329 -397.245 PRESSAVG: 1856600 39.3227 34.1027 -21.5003 34.1027 -7.88843 6.10693 -21.5003 6.10699 -10.6252 GPRESSAVG: 1856600 39.95 33.9252 -22.2328 33.1931 -9.22915 10.0797 -19.9587 5.15358 -10.5296 TIMING: 1856600 CPU: 5801.16, 0.00311204/step Wall: 5801.16, 0.00311204/step, 2.71733 hours remaining, 236.500000 MB of memory in use. ENERGY: 1856600 4076.7972 20485.5661 14490.2756 253.1354 -203082.1348 2653.2222 0.0000 0.0000 52190.2399 -108932.8986 299.9380 -161123.1385 -108563.3904 300.4664 -206.9253 -183.4584 764225.4148 6.9363 6.7304 PRESSURE: 1856800 142.886 -23.9623 276.349 -23.9615 14.2858 -139.555 276.349 -139.555 -171.021 GPRESSURE: 1856800 162.161 42.2484 301.657 42.3959 73.1893 -115.077 204.576 -56.2059 -156.913 PRESSAVG: 1856800 -80.3502 14.6351 11.5929 14.6351 17.3378 -34.8468 11.5929 -34.8469 9.11896 GPRESSAVG: 1856800 -80.8442 16.2288 12.4391 14.4731 18.5564 -37.7329 8.35281 -31.4711 8.20769 TIMING: 1856800 CPU: 5801.78, 0.00312344/step Wall: 5801.78, 0.00312344/step, 2.72711 hours remaining, 236.500000 MB of memory in use. ENERGY: 1856800 3944.2231 20460.5025 14500.2661 231.2406 -203009.1712 2723.3039 0.0000 0.0000 52155.9162 -108993.7187 299.7408 -161149.6350 -108628.0235 300.1420 -4.6163 26.1459 764755.8602 -17.9645 -18.0267 PRESSURE: 1857000 87.1359 -27.5387 -35.0229 -27.5385 404.189 -51.0297 -35.0231 -51.0297 -6.72097 GPRESSURE: 1857000 83.3143 -15.0594 -18.0088 -2.56467 422.865 -57.0951 -36.7376 -48.7865 66.969 PRESSAVG: 1857000 22.4364 12.7708 -9.51283 12.7708 12.8588 -19.6703 -9.5129 -19.6702 1.0953 GPRESSAVG: 1857000 22.887 12.7258 -8.21571 12.2991 12.2621 -19.5534 -7.02116 -20.3546 1.25523 TIMING: 1857000 CPU: 5802.41, 0.00313609/step Wall: 5802.41, 0.00313609/step, 2.73798 hours remaining, 236.500000 MB of memory in use. ENERGY: 1857000 3998.9439 20608.4706 14464.5462 231.2018 -202931.8294 2768.1692 0.0000 0.0000 51907.3681 -108953.1295 298.3124 -160860.4976 -108590.1930 299.6375 161.5347 191.0493 761830.5159 12.1302 12.1348 PRESSURE: 1857200 -193.534 58.8032 73.2999 58.804 58.4818 201.608 73.2995 201.608 -60.9759 GPRESSURE: 1857200 -92.8026 93.4346 -43.267 -41.722 -38.309 141.321 166.725 313.735 11.4144 PRESSAVG: 1857200 43.4503 -13.7291 -8.09167 -13.7291 -81.3984 4.48858 -8.09163 4.48856 -2.71772 GPRESSAVG: 1857200 42.8428 -14.1869 -7.08121 -14.2303 -80.7125 5.52438 -10.179 3.82695 -2.74844 TIMING: 1857200 CPU: 5803.03, 0.0031172/step Wall: 5803.03, 0.0031172/step, 2.72132 hours remaining, 236.500000 MB of memory in use. ENERGY: 1857200 4039.5115 20506.6802 14438.9606 241.9247 -202907.3787 2558.9954 0.0000 0.0000 52176.1475 -108945.1589 299.8570 -161121.3063 -108592.7068 299.8446 -65.3427 -39.8991 762167.4242 -13.5553 -13.5394 PRESSURE: 1857400 -129.225 -38.2667 -47.4426 -38.2663 45.0917 -71.4728 -47.4418 -71.472 306.012 GPRESSURE: 1857400 -68.7834 -20.0809 -165.115 -151.425 86.7697 -97.1507 -148.615 8.79286 278.762 PRESSAVG: 1857400 -17.8474 -11.6953 -68.0159 -11.6953 60.3914 -22.7047 -68.0159 -22.7046 -4.68515 GPRESSAVG: 1857400 -17.2665 -11.163 -70.2706 -12.3286 60.2116 -24.5145 -66.5848 -22.2112 -5.2324 TIMING: 1857400 CPU: 5803.65, 0.00312023/step Wall: 5803.65, 0.00312023/step, 2.72379 hours remaining, 236.500000 MB of memory in use. ENERGY: 1857400 3993.3522 20472.9931 14507.1192 243.5350 -202775.0754 2656.4306 0.0000 0.0000 52211.6950 -108689.9503 300.0613 -160901.6453 -108329.2723 299.8744 73.9595 98.9161 763907.2746 12.6196 12.5709 PRESSURE: 1857600 77.5269 -123.891 -86.4794 -123.891 -43.5932 27.395 -86.4786 27.395 363.146 GPRESSURE: 1857600 72.8994 -97.2336 -76.137 -128.464 105.09 118.525 -161.096 -44.7243 331.041 PRESSAVG: 1857600 -36.2327 -33.1769 -15.7124 -33.1769 35.5274 -15.1167 -15.7124 -15.1167 7.29464 GPRESSAVG: 1857600 -35.9328 -34.7108 -12.5965 -32.7213 34.9797 -12.9176 -18.6825 -16.7137 7.41239 TIMING: 1857600 CPU: 5804.28, 0.00311963/step Wall: 5804.28, 0.00311963/step, 2.72309 hours remaining, 236.500000 MB of memory in use. ENERGY: 1857600 3926.4615 20676.9137 14513.7666 240.2432 -202913.3672 2678.1198 0.0000 0.0000 52143.7603 -108734.1021 299.6709 -160877.8623 -108366.8417 300.3454 132.3598 169.6767 764496.5982 2.1965 2.1531 PRESSURE: 1857800 -482.481 -51.1025 109.681 -51.1021 -234.435 103.815 109.681 103.815 282.452 GPRESSURE: 1857800 -534.014 -64.0689 55.7674 -83.1927 -32.9722 120.358 94.6166 185.061 227.202 PRESSAVG: 1857800 -1.85826 -26.3438 39.5461 -26.3437 24.1544 12.4418 39.5461 12.4418 -2.09184 GPRESSAVG: 1857800 -2.93989 -25.5934 36.5063 -27.1878 25.0416 11.7543 41.0075 13.6675 -1.91075 TIMING: 1857800 CPU: 5804.9, 0.00311347/step Wall: 5804.9, 0.00311347/step, 2.71754 hours remaining, 236.500000 MB of memory in use. ENERGY: 1857800 4027.2812 20604.3488 14543.9003 241.7911 -203280.7743 2739.9201 0.0000 0.0000 52430.4729 -108693.0600 301.3186 -161123.5329 -108326.4644 300.6215 -144.8215 -113.2613 761685.8032 6.7348 6.7303 PRESSURE: 1858000 -64.6731 -86.6391 -75.7448 -86.6398 287.388 -37.4181 -75.7443 -37.4178 -20.3111 GPRESSURE: 1858000 -58.6422 -156.124 -80.9794 -14.329 330.213 -8.47282 5.91618 -53.2582 6.61098 PRESSAVG: 1858000 -17.913 -3.75439 17.7802 -3.75444 -26.1523 11.2783 17.7802 11.2783 16.3044 GPRESSAVG: 1858000 -18.6831 -1.59976 17.0868 -3.87922 -26.6688 9.98336 18.971 13.0927 17.1237 TIMING: 1858000 CPU: 5805.52, 0.00311549/step Wall: 5805.52, 0.00311549/step, 2.71913 hours remaining, 236.500000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1858000 3993.7549 20515.1124 14444.7345 274.9829 -203025.0053 2731.4140 0.0000 0.0000 52131.9885 -108933.0182 299.6033 -161065.0067 -108565.5249 300.1023 67.4678 92.7274 763245.3900 -9.2536 -9.4094 PRESSURE: 1858200 292.162 -24.0248 -97.719 -24.0259 158.53 -114.561 -97.7197 -114.56 -145.806 GPRESSURE: 1858200 350.535 79.7777 -143.317 -91.427 127.032 -15.4572 40.2971 -102.582 -82.1156 PRESSAVG: 1858200 22.1139 -9.93138 -3.47871 -9.9314 -10.3286 -12.6111 -3.47866 -12.6111 -14.3026 GPRESSAVG: 1858200 23.1654 -12.2343 -2.26757 -10.5369 -11.9112 -11.2302 -5.31404 -15.0933 -14.0603 TIMING: 1858200 CPU: 5806.15, 0.00311145/step Wall: 5806.15, 0.00311145/step, 2.71543 hours remaining, 236.500000 MB of memory in use. ENERGY: 1858200 4135.4356 20504.5227 14437.6795 254.3693 -203596.2455 2947.0966 0.0000 0.0000 52300.9770 -109016.1648 300.5744 -161317.1418 -108657.3875 300.1549 101.6287 131.8172 761945.7006 -0.8391 -0.9354 PRESSURE: 1858400 -17.0996 129.733 53.7904 129.732 -253.685 72.7181 53.7902 72.7187 -50.0657 GPRESSURE: 1858400 48.4047 144.31 85.2369 150.645 -195.117 53.2986 -33.7012 96.5935 -100.118 PRESSAVG: 1858400 -14.5798 7.4637 -12.6504 7.46368 3.91004 -3.5774 -12.6505 -3.57744 1.02388 GPRESSAVG: 1858400 -12.9105 7.09578 -11.7613 9.37969 2.45084 -4.12311 -13.6074 -4.1587 0.584143 TIMING: 1858400 CPU: 5806.77, 0.00309519/step Wall: 5806.77, 0.00309519/step, 2.70107 hours remaining, 236.500000 MB of memory in use. ENERGY: 1858400 4043.1816 20583.6977 14421.4619 271.5238 -202877.4501 2397.7252 0.0000 0.0000 52072.9684 -109086.8915 299.2641 -161159.8599 -108723.9238 300.4307 -106.9501 -82.2769 763378.1644 -3.2153 -3.2918 PRESSURE: 1858600 110.203 149.938 24.8115 149.938 184.33 237.865 24.8109 237.865 497.793 GPRESSURE: 1858600 103.758 214.427 59.97 201.843 249.797 243.947 118.091 194.04 515.237 PRESSAVG: 1858600 -46.8005 27.5754 1.17452 27.5754 43.7441 -6.25231 1.1746 -6.2523 -22.3797 GPRESSAVG: 1858600 -47.2596 30.1713 1.48933 26.8914 44.9376 -7.44715 2.33493 -5.11211 -23.3525 TIMING: 1858600 CPU: 5807.39, 0.00311527/step Wall: 5807.39, 0.00311527/step, 2.71842 hours remaining, 236.500000 MB of memory in use. ENERGY: 1858600 3933.3615 20564.2848 14474.3978 243.9222 -203389.3020 2873.5785 0.0000 0.0000 52230.6267 -109069.1304 300.1701 -161299.7571 -108706.6367 299.9059 264.1086 289.5971 761471.0425 -8.4787 -8.5582 PRESSURE: 1858800 91.0213 149.339 -82.4428 149.34 204.596 34.511 -82.4429 34.5103 195.581 GPRESSURE: 1858800 114.062 100.302 -139.307 142.309 304.059 81.3199 -4.28885 18.1075 158.768 PRESSAVG: 1858800 22.2804 8.25464 -9.14763 8.25463 -24.7542 -11.491 -9.14764 -11.4911 -23.6486 GPRESSAVG: 1858800 21.6266 8.46026 -8.72862 9.11743 -24.7319 -10.7347 -9.45016 -11.2666 -23.404 TIMING: 1858800 CPU: 5808.01, 0.00310328/step Wall: 5808.01, 0.00310328/step, 2.70779 hours remaining, 236.500000 MB of memory in use. ENERGY: 1858800 3974.4943 20391.6561 14448.4636 270.9907 -203348.1870 2726.7244 0.0000 0.0000 52086.7099 -109449.1481 299.3430 -161535.8580 -109080.4506 299.5125 163.7328 192.2964 760341.9730 -8.7074 -8.8364 PRESSURE: 1859000 -115.105 -87.1132 -131.413 -87.1136 222.403 36.9426 -131.414 36.9411 -41.0829 GPRESSURE: 1859000 -89.445 -45.4586 -98.2621 -59.0007 230.248 -33.9616 -76.3823 -11.9977 13.5616 PRESSAVG: 1859000 16.3837 -25.6709 31.8077 -25.671 -1.28334 7.70094 31.8077 7.70102 14.3467 GPRESSAVG: 1859000 16.4437 -27.723 30.6361 -24.4775 -2.03776 6.94857 33.2795 7.62451 14.57 TIMING: 1859000 CPU: 5808.63, 0.00309552/step Wall: 5808.63, 0.00309552/step, 2.70084 hours remaining, 236.500000 MB of memory in use. ENERGY: 1859000 4008.7082 20684.5397 14489.3737 259.6949 -203474.1575 2735.2656 0.0000 0.0000 52180.9101 -109115.6653 299.8844 -161296.5754 -108761.6456 299.3620 22.0717 51.4550 760712.0531 9.8157 9.6587 PRESSURE: 1859200 68.9194 -31.9387 13.4073 -31.9389 -43.1413 39.1485 13.4071 39.1482 262.169 GPRESSURE: 1859200 49.9706 -23.1412 46.5196 -175.147 2.39433 -34.512 -15.1125 58.5065 302.05 PRESSAVG: 1859200 -8.41053 25.0295 -6.76904 25.0295 32.4236 -40.2186 -6.76911 -40.2185 -2.49698 GPRESSAVG: 1859200 -9.36592 24.9769 -6.74899 23.0958 32.7089 -38.4275 -8.7279 -40.7458 -2.18993 TIMING: 1859200 CPU: 5809.25, 0.00310922/step Wall: 5809.25, 0.00310922/step, 2.71262 hours remaining, 236.500000 MB of memory in use. ENERGY: 1859200 3967.1374 20493.8011 14479.6028 264.6987 -203323.4394 2833.1013 0.0000 0.0000 52296.3757 -108988.7224 300.5480 -161285.0981 -108619.2799 300.1272 95.9825 118.1382 762694.5678 7.1720 7.0510 PRESSURE: 1859400 -9.29097 35.1787 -124.853 35.1792 1.29546 123.183 -124.853 123.183 -33.8252 GPRESSURE: 1859400 56.869 -52.1823 -133.277 84.3632 34.7052 148.897 -211.673 159.317 -45.9437 PRESSAVG: 1859400 23.8463 -59.6049 -14.3359 -59.6049 6.25268 -7.11262 -14.3359 -7.11265 -14.2233 GPRESSAVG: 1859400 23.6736 -59.355 -15.0639 -59.0128 6.21819 -8.35246 -13.0575 -7.26468 -14.4436 TIMING: 1859400 CPU: 5809.87, 0.00310957/step Wall: 5809.87, 0.00310957/step, 2.71275 hours remaining, 236.500000 MB of memory in use. ENERGY: 1859400 3975.7329 20675.7290 14448.4680 269.1452 -202800.6333 2433.7490 0.0000 0.0000 52062.3278 -108935.4813 299.2029 -160997.8091 -108578.1650 299.8939 -13.9402 15.2102 763096.4960 5.2919 5.1494 PRESSURE: 1859600 40.515 39.1657 135.733 39.1656 -67.7171 -13.8931 135.733 -13.894 55.4365 GPRESSURE: 1859600 111.575 189.122 -4.56012 -15.4336 11.7409 -62.2008 253.194 95.8445 -10.4421 PRESSAVG: 1859600 11.5407 18.4431 -29.4621 18.4431 39.7712 3.36913 -29.4621 3.36912 19.7325 GPRESSAVG: 1859600 13.3074 18.7333 -29.6122 17.3681 38.9532 4.07199 -29.9019 2.83732 18.9071 TIMING: 1859600 CPU: 5810.5, 0.00311457/step Wall: 5810.5, 0.00311457/step, 2.71694 hours remaining, 236.500000 MB of memory in use. ENERGY: 1859600 3949.5651 20594.3737 14504.4790 235.5200 -202701.4515 2372.8747 0.0000 0.0000 52123.8235 -108920.8155 299.5563 -161044.6390 -108556.6897 300.1697 9.4115 37.6245 762845.5429 23.6814 23.7226 PRESSURE: 1859800 210.47 10.291 105.804 10.2902 -85.5629 -124.946 105.804 -124.946 -124.778 GPRESSURE: 1859800 214.705 93.6265 175.463 55.1622 -68.0607 -64.9927 58.5282 -42.0846 -78.713 PRESSAVG: 1859800 -41.7708 -8.41509 -17.7937 -8.4151 36.3457 26.6754 -17.7937 26.6753 -8.34423 GPRESSAVG: 1859800 -42.5621 -7.12931 -17.7917 -8.97192 35.3275 26.9484 -18.2148 27.8869 -7.14201 TIMING: 1859800 CPU: 5811.12, 0.00311019/step Wall: 5811.12, 0.00311019/step, 2.71295 hours remaining, 236.500000 MB of memory in use. ENERGY: 1859800 3974.7025 20620.0521 14456.3388 260.2766 -203595.2816 2983.8464 0.0000 0.0000 52216.9260 -109083.1393 300.0914 -161300.0653 -108710.3864 300.0456 0.0433 22.6438 760314.2096 -4.5898 -4.7922 PRESSURE: 1860000 -143.745 16.7681 -52.1794 16.7678 -206.35 3.29382 -52.1791 3.29442 -213.649 GPRESSURE: 1860000 -138.002 -41.9723 -72.5392 30.0875 -183.092 -31.4109 34.3024 -88.9933 -157.58 PRESSAVG: 1860000 30.7212 20.1439 -34.7096 20.144 -4.40678 47.4637 -34.7096 47.4636 27.8014 GPRESSAVG: 1860000 28.8596 18.2113 -32.1153 21.1731 -3.37897 47.0047 -35.3108 47.9759 27.6969 TIMING: 1860000 CPU: 5811.74, 0.00311282/step Wall: 5811.74, 0.00311282/step, 2.71507 hours remaining, 236.500000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1860000 4003.4117 20833.0837 14465.7881 242.7357 -203095.6795 2496.0401 0.0000 0.0000 51888.7128 -109165.9073 298.2051 -161054.6201 -108799.2278 299.8854 -187.9147 -159.5580 761259.9524 18.0386 17.7259 PRESSURE: 1860200 38.1449 -112.079 208.944 -112.08 -178.787 -26.2208 208.945 -26.2222 -255.449 GPRESSURE: 1860200 24.2871 -64.0567 220.122 -91.5025 -100.645 -53.4539 124.45 -110.589 -242.845 PRESSAVG: 1860200 -6.67639 -8.71564 -19.1957 -8.7156 -14.7228 33.2194 -19.1957 33.2193 3.67858 GPRESSAVG: 1860200 -5.63756 -9.86851 -20.7344 -10.3164 -14.2401 31.9818 -19.3209 28.9147 2.31007 TIMING: 1860200 CPU: 5812.36, 0.00311767/step Wall: 5812.36, 0.00311767/step, 2.71912 hours remaining, 236.500000 MB of memory in use. ENERGY: 1860200 3930.4188 20689.9104 14416.4920 246.9196 -203006.4144 2576.0403 0.0000 0.0000 51885.9642 -109260.6691 298.1893 -161146.6333 -108906.4463 299.3120 -132.0305 -106.4010 762133.2895 -5.9069 -5.8559 LDB: ============= START OF LOAD BALANCING ============== 5824.84 LDB: ============== END OF LOAD BALANCING =============== 5824.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5824.84 LDB: ============= START OF LOAD BALANCING ============== 5825.16 LDB: Largest compute 6985 load 0.031763 is 16.3% of average load 0.194982 LDB: Average compute 0.004406 is 2.3% of average load 0.194982 LDB: TIME 5825.16 LOAD: AVG 0.194982 MAX 0.211918 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.945 MB LDB: TIME 5825.16 LOAD: AVG 0.194982 MAX 0.211918 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.945 MB LDB: TIME 5825.16 LOAD: AVG 0.194982 MAX 0.211918 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.945 MB LDB: ============== END OF LOAD BALANCING =============== 5825.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5825.17 PRESSURE: 1860400 -378.645 -183.998 49.7673 -183.998 -169.326 158.256 49.7679 158.257 -207.278 GPRESSURE: 1860400 -297.902 -230.848 -58.9351 -220.796 -169.914 73.4422 1.2081 243.014 -218.552 PRESSAVG: 1860400 1.61897 -21.9095 40.3813 -21.9095 -20.1448 16.2289 40.3813 16.2289 -5.99659 GPRESSAVG: 1860400 0.238451 -19.1345 40.0985 -22.1609 -20.2096 16.5068 40.9599 18.2128 -5.25866 TIMING: 1860400 CPU: 5813, 0.00319164/step Wall: 5813, 0.00319164/step, 2.78347 hours remaining, 234.550781 MB of memory in use. ENERGY: 1860400 3951.0947 20648.3747 14436.9781 244.6295 -202449.3160 2108.7801 0.0000 0.0000 51981.7654 -109077.6935 298.7399 -161059.4589 -108707.1758 299.0463 -251.7498 -228.7891 762938.0698 -8.1741 -8.4099 PRESSURE: 1860600 -43.8338 82.1505 -61.3197 82.1499 165.185 -114.77 -61.3199 -114.77 325.796 GPRESSURE: 1860600 14.5444 132.211 2.36241 45.0127 238.184 -213.698 -56.3471 129.832 267.697 PRESSAVG: 1860600 -32.3414 7.92791 25.7831 7.92784 63.022 22.4005 25.783 22.4004 2.9535 GPRESSAVG: 1860600 -32.0731 6.25542 25.9236 7.58228 62.1121 22.7514 27.2314 24.2297 3.32278 TIMING: 1860600 CPU: 5813.63, 0.00311786/step Wall: 5813.63, 0.00311786/step, 2.71895 hours remaining, 234.550781 MB of memory in use. ENERGY: 1860600 3979.9815 20583.5865 14472.1664 237.7183 -203261.1463 2638.0164 0.0000 0.0000 52056.3620 -109293.3153 299.1686 -161349.6773 -108932.2760 299.3680 149.0492 173.4753 760139.8634 11.2114 11.1206 PRESSURE: 1860800 80.8871 -72.9333 -157.546 -72.9333 -37.6406 195.845 -157.546 195.845 145.888 GPRESSURE: 1860800 176.861 21.6259 -129.816 -194.413 -50.9922 183.576 -206.808 226.491 160.981 PRESSAVG: 1860800 -8.06719 -42.8526 -44.2055 -42.8526 28.7273 26.8653 -44.2056 26.8653 11.2596 GPRESSAVG: 1860800 -9.4621 -41.699 -44.2583 -43.2129 29.7034 27.7646 -44.5406 25.0369 11.0444 TIMING: 1860800 CPU: 5814.25, 0.00310912/step Wall: 5814.25, 0.00310912/step, 2.71115 hours remaining, 234.550781 MB of memory in use. ENERGY: 1860800 4030.1114 20572.3732 14395.1422 215.6504 -203298.7952 2788.4834 0.0000 0.0000 52073.0874 -109223.9472 299.2647 -161297.0346 -108857.4768 299.5748 63.0447 95.6166 760774.5111 10.6399 10.4286 PRESSURE: 1861000 155.432 -38.8537 11.7483 -38.8543 -0.18095 4.32819 11.7479 4.32851 443.913 GPRESSURE: 1861000 163.009 54.5693 -63.4779 151.112 46.2243 -6.54812 -20.232 114.601 471.67 PRESSAVG: 1861000 -14.2229 -49.1334 -9.83999 -49.1333 50.8133 51.065 -9.84002 51.065 13.2335 GPRESSAVG: 1861000 -13.1266 -49.0331 -10.3583 -46.6698 49.2305 50.6512 -10.3412 52.6566 13.013 TIMING: 1861000 CPU: 5814.87, 0.00310905/step Wall: 5814.87, 0.00310905/step, 2.71092 hours remaining, 234.550781 MB of memory in use. ENERGY: 1861000 3995.5943 20602.3266 14453.9091 262.2990 -203437.6663 2689.5780 0.0000 0.0000 51998.7645 -109435.1948 298.8376 -161433.9592 -109067.8937 298.9393 199.7213 226.9676 761337.0540 16.6080 16.3723 PRESSURE: 1861200 -477.351 36.2735 112.321 36.2729 -48.3639 210.983 112.32 210.983 -275.276 GPRESSURE: 1861200 -369.446 -18.5176 88.3024 20.2961 -61.7216 285.466 -9.1065 120.075 -294.755 PRESSAVG: 1861200 -55.5145 20.5712 10.6707 20.5712 56.0186 15.9213 10.6708 15.9213 5.54207 GPRESSAVG: 1861200 -56.3627 18.8138 9.69071 18.3916 57.0482 16.5034 9.56856 13.4089 4.86628 TIMING: 1861200 CPU: 5815.5, 0.00313312/step Wall: 5815.5, 0.00313312/step, 2.73173 hours remaining, 234.550781 MB of memory in use. ENERGY: 1861200 4041.4586 20631.5165 14479.4693 253.1162 -203269.1916 2380.3092 0.0000 0.0000 52045.5446 -109437.7772 299.1065 -161483.3217 -109077.2659 299.1314 -266.9970 -241.9744 762123.3409 2.0154 1.8506 PRESSURE: 1861400 110.598 360.087 40.2986 360.088 -18.5787 -163.378 40.298 -163.379 -207.313 GPRESSURE: 1861400 72.1344 303.837 58.5264 204.113 137.161 -191.74 56.4204 -160.274 -239.665 PRESSAVG: 1861400 -12.1814 34.8118 -4.20204 34.8118 22.2116 31.1315 -4.20198 31.1316 -16.9867 GPRESSAVG: 1861400 -11.4204 35.7581 -2.849 34.5965 21.4169 30.6521 -4.23783 32.5283 -17.256 TIMING: 1861400 CPU: 5816.12, 0.00313554/step Wall: 5816.12, 0.00313554/step, 2.73367 hours remaining, 234.550781 MB of memory in use. ENERGY: 1861400 4022.3572 20571.2685 14517.1555 261.4255 -203137.1970 2405.4289 0.0000 0.0000 52325.9341 -109033.6271 300.7179 -161359.5612 -108672.3767 299.1589 -38.4313 -10.1232 761606.1300 -2.3188 -2.4198 PRESSURE: 1861600 176.582 -131.948 -214.929 -131.949 -87.1787 102.77 -214.929 102.77 -9.47602 GPRESSURE: 1861600 267.511 -94.5489 -187.212 -151.397 -125.452 20.7574 -281.493 41.5848 7.31395 PRESSAVG: 1861600 -20.0367 17.0314 -70.3591 17.0314 15.8506 -69.9977 -70.3591 -69.9977 17.5801 GPRESSAVG: 1861600 -20.257 16.7294 -70.4732 17.5128 15.5843 -67.5852 -68.9806 -71.3376 17.9799 TIMING: 1861600 CPU: 5816.75, 0.00313789/step Wall: 5816.75, 0.00313789/step, 2.73554 hours remaining, 234.550781 MB of memory in use. ENERGY: 1861600 3978.3784 20634.3993 14415.6536 258.8791 -202849.3529 2466.0059 0.0000 0.0000 52290.6710 -108805.3657 300.5152 -161096.0367 -108446.5337 299.8272 26.6425 49.7912 760786.3542 4.4647 4.4357 PRESSURE: 1861800 -193.38 -178.375 -40.287 -178.375 90.9138 139.205 -40.2865 139.207 -222.288 GPRESSURE: 1861800 -131.196 -142.003 -15.2451 -174.961 63.2655 153.848 3.37046 -28.5606 -184.887 PRESSAVG: 1861800 -11.9833 -44.4545 11.9719 -44.4545 -43.1953 18.877 11.9719 18.8769 1.9928 GPRESSAVG: 1861800 -11.5545 -45.2299 11.1583 -43.8976 -43.5808 16.1125 11.6869 20.1011 2.03717 TIMING: 1861800 CPU: 5817.38, 0.0031245/step Wall: 5817.38, 0.0031245/step, 2.72369 hours remaining, 234.550781 MB of memory in use. ENERGY: 1861800 4058.5666 20603.1663 14427.8210 251.3053 -203180.7293 2506.1364 0.0000 0.0000 52198.8387 -109134.8949 299.9874 -161333.7336 -108782.6670 300.0211 -108.2513 -84.2727 761226.9899 -17.7286 -17.6994 PRESSURE: 1862000 228.892 -171.59 63.571 -171.59 143.544 -12.0854 63.5711 -12.086 9.26499 GPRESSURE: 1862000 182.323 -85.8079 -39.0363 -42.7036 239.735 78.287 -4.25355 48.8561 63.7135 PRESSAVG: 1862000 0.896584 -3.81608 23.6278 -3.81607 11.6216 26.845 23.6278 26.8449 -7.76738 GPRESSAVG: 1862000 -0.544531 -3.96554 21.9867 -2.75443 13.2941 29.2762 23.3913 25.9092 -8.21068 TIMING: 1862000 CPU: 5818, 0.00311124/step Wall: 5818, 0.00311124/step, 2.71196 hours remaining, 234.550781 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: 1862000 3921.7955 20446.5413 14487.4614 267.9464 -203602.6389 3081.1266 0.0000 0.0000 52082.6267 -109315.1410 299.3196 -161397.7677 -108940.0898 299.2992 127.2336 161.9240 762368.6141 1.5836 1.5130 PRESSURE: 1862200 -130.072 134.784 -186.062 134.784 190.046 -187.638 -186.061 -187.638 -220.16 GPRESSURE: 1862200 -79.9229 124.098 -194.145 35.5038 90.4318 -131.398 -98.1382 -167.336 -109.5 PRESSAVG: 1862200 6.86901 -2.01121 21.0665 -2.01113 -5.41262 -4.15933 21.0665 -4.15931 6.32768 GPRESSAVG: 1862200 7.53937 -1.06333 20.8884 -2.44989 -6.4082 -5.68528 22.0322 -2.17489 6.67588 TIMING: 1862200 CPU: 5818.62, 0.00310859/step Wall: 5818.62, 0.00310859/step, 2.70948 hours remaining, 234.550781 MB of memory in use. ENERGY: 1862200 4005.8870 20699.8779 14462.6615 245.7888 -203458.2175 2685.4778 0.0000 0.0000 52140.0025 -109218.5221 299.6493 -161358.5246 -108859.6148 299.4279 -53.3953 -32.9970 761128.7654 2.5947 2.6024 PRESSURE: 1862400 -454.561 74.2408 -211.946 74.2411 -268.433 246.465 -211.947 246.465 -504.56 GPRESSURE: 1862400 -417.083 11.1278 -119.723 -8.21488 -281.016 292.419 -269.48 159.999 -440.409 PRESSAVG: 1862400 -20.9347 -18.8683 14.0849 -18.8683 7.55165 -25.1706 14.0849 -25.1706 -7.01101 GPRESSAVG: 1862400 -19.6493 -18.7435 16.0092 -18.5306 7.34156 -24.8764 11.9724 -26.6934 -7.61969 TIMING: 1862400 CPU: 5819.24, 0.00312613/step Wall: 5819.24, 0.00312613/step, 2.72459 hours remaining, 234.550781 MB of memory in use. ENERGY: 1862400 4024.5580 20707.6976 14512.1511 254.1367 -203621.6996 2664.7576 0.0000 0.0000 52053.5402 -109404.8583 299.1524 -161458.3985 -109037.1412 299.5279 -409.1847 -379.5029 762146.1603 -6.7980 -6.6425 PRESSURE: 1862600 -276.471 270.215 -66.032 270.215 -110.573 -124.76 -66.0317 -124.76 -413.904 GPRESSURE: 1862600 -259.196 212.281 -136.357 228.085 -3.69145 -210.399 -39.4268 -29.0664 -449.988 PRESSAVG: 1862600 5.68126 -26.8364 -7.9617 -26.8364 -42.8909 -4.59478 -7.96168 -4.5948 -22.8963 GPRESSAVG: 1862600 4.55123 -26.9759 -8.95841 -28.8414 -42.4529 -6.09784 -8.40492 -5.0725 -22.3507 TIMING: 1862600 CPU: 5819.87, 0.00313744/step Wall: 5819.87, 0.00313744/step, 2.73428 hours remaining, 234.550781 MB of memory in use. ENERGY: 1862600 4078.2177 20531.4744 14503.2675 241.1431 -203497.3197 2778.9152 0.0000 0.0000 51930.2636 -109434.0382 298.4439 -161364.3018 -109077.2405 298.6658 -266.9829 -237.6249 761451.3499 -20.0353 -20.0841 PRESSURE: 1862800 -0.901777 53.6412 -3.87134 53.6414 -54.1182 -157.75 -3.87165 -157.75 -688.803 GPRESSURE: 1862800 30.6778 65.4194 -73.4638 108.936 43.0329 -116.177 -60.5628 -124.707 -720.195 PRESSAVG: 1862800 -94.3789 21.4193 -35.485 21.4192 89.4174 -30.0449 -35.485 -30.0449 11.9551 GPRESSAVG: 1862800 -94.9762 22.9023 -34.8993 22.7537 89.7662 -29.1655 -32.1989 -28.8731 11.9598 TIMING: 1862800 CPU: 5820.5, 0.00312661/step Wall: 5820.5, 0.00312661/step, 2.72466 hours remaining, 234.550781 MB of memory in use. ENERGY: 1862800 3983.4591 20685.3639 14396.6947 248.0403 -203171.8013 2589.8439 0.0000 0.0000 52062.2890 -109206.1104 299.2027 -161268.3994 -108836.6830 299.0588 -247.9409 -215.4949 761735.9317 2.3312 2.2499 PRESSURE: 1863000 162.897 181.756 201.651 181.757 68.6235 66.9683 201.651 66.9698 68.8921 GPRESSURE: 1863000 238.73 96.408 201.078 103.032 65.1309 137.349 163.538 -46.7479 103.55 PRESSAVG: 1863000 38.0759 -20.2783 -59.0735 -20.2782 -40.3404 17.7653 -59.0735 17.7653 -7.52102 GPRESSAVG: 1863000 38.8265 -21.7018 -59.7569 -21.1624 -40.2817 17.1995 -61.2199 17.9036 -8.05462 TIMING: 1863000 CPU: 5821.12, 0.00309977/step Wall: 5821.12, 0.00309977/step, 2.70111 hours remaining, 234.550781 MB of memory in use. ENERGY: 1863000 4039.8277 20688.8802 14471.5307 253.1002 -203754.1419 3064.0208 0.0000 0.0000 52178.2773 -109058.5050 299.8693 -161236.7823 -108701.1576 299.1824 100.1375 135.8038 761659.6312 -3.2618 -3.1699 PRESSURE: 1863200 174.836 127.678 -159.903 127.678 -50.4584 59.1466 -159.903 59.1465 177.038 GPRESSURE: 1863200 230.418 212.122 -134.881 106.661 -21.9851 50.4172 -177.963 2.32879 195.479 PRESSAVG: 1863200 7.32345 -5.89899 -37.7631 -5.89892 36.1677 25.5527 -37.7631 25.5527 -22.8521 GPRESSAVG: 1863200 7.15658 -5.89229 -37.5513 -6.34582 34.8219 25.4427 -36.7507 25.912 -21.396 TIMING: 1863200 CPU: 5821.74, 0.00310723/step Wall: 5821.74, 0.00310723/step, 2.70743 hours remaining, 234.550781 MB of memory in use. ENERGY: 1863200 3973.4572 20649.3176 14428.9082 254.0836 -203852.9664 3167.0521 0.0000 0.0000 52218.8329 -109161.3148 300.1024 -161380.1476 -108802.2076 299.7748 100.4717 134.6372 761070.6362 6.8797 6.8608 PRESSURE: 1863400 -349.923 -23.8597 -8.39994 -23.859 -241.984 209.807 -8.39997 209.809 -32.0979 GPRESSURE: 1863400 -251.817 -95.0375 -11.378 -1.82703 -253.54 202.542 79.0241 175.251 -38.1584 PRESSAVG: 1863400 13.0013 -23.3926 28.7546 -23.3926 6.21381 62.5669 28.7545 62.5669 7.0452 GPRESSAVG: 1863400 12.8798 -24.0718 28.5382 -21.011 6.57632 64.4047 27.5431 62.1035 6.81298 TIMING: 1863400 CPU: 5822.36, 0.00312286/step Wall: 5822.36, 0.00312286/step, 2.72088 hours remaining, 234.550781 MB of memory in use. ENERGY: 1863400 4017.4149 20527.0431 14463.6908 262.7634 -202852.6257 2366.6360 0.0000 0.0000 51996.5395 -109218.5379 298.8248 -161215.0774 -108860.8673 299.0688 -208.0015 -181.1720 761479.2820 8.7535 8.7564 PRESSURE: 1863600 117.878 26.313 289.904 26.3128 285.705 79.214 289.903 79.2153 -253.937 GPRESSURE: 1863600 128.054 39.8745 172.176 -38.247 266.717 50.278 246.442 -20.6343 -183.343 PRESSAVG: 1863600 33.9013 -28.4023 70.2691 -28.4023 -16.3589 33.8912 70.2691 33.8912 -2.06533 GPRESSAVG: 1863600 33.7499 -29.0705 71.2748 -28.0059 -16.5822 32.5009 70.3009 31.4266 -1.59794 TIMING: 1863600 CPU: 5822.98, 0.0030958/step Wall: 5822.98, 0.0030958/step, 2.69713 hours remaining, 234.550781 MB of memory in use. ENERGY: 1863600 4056.3106 20677.1915 14405.7726 253.3735 -203534.4433 2753.1177 0.0000 0.0000 52165.8958 -109222.7816 299.7981 -161388.6774 -108868.9976 299.7084 49.8820 70.4763 760832.5489 5.1590 5.1899 PRESSURE: 1863800 131.929 -67.8211 -13.2149 -67.8221 -101.227 -17.9491 -13.215 -17.9497 -359.911 GPRESSURE: 1863800 129.886 60.2578 -15.3258 13.0325 -44.4097 -113.003 24.8917 49.9556 -327.068 PRESSAVG: 1863800 -3.61219 -49.0464 -1.23573 -49.0464 -2.29484 -14.6934 -1.23574 -14.6934 1.89431 GPRESSAVG: 1863800 -4.28206 -45.4866 -1.39913 -50.0655 -0.267716 -16 -1.60405 -10.6406 0.0937882 TIMING: 1863800 CPU: 5823.6, 0.00309786/step Wall: 5823.6, 0.00309786/step, 2.69875 hours remaining, 234.550781 MB of memory in use. ENERGY: 1863800 3975.4650 20525.2436 14492.3968 244.3273 -203451.2368 2643.0765 0.0000 0.0000 52215.4407 -109355.2870 300.0829 -161570.7277 -108988.4489 299.9289 -109.7363 -80.5304 761657.6336 -1.3376 -1.4853 PRESSURE: 1864000 -144.723 -180.949 84.4017 -180.949 -23.5916 145.055 84.4013 145.054 228.395 GPRESSURE: 1864000 -102.942 -47.9919 161.434 -62.5012 -76.0531 90.2245 49.2446 204.146 321.436 PRESSAVG: 1864000 -34.5734 -23.9453 45.5022 -23.9453 24.3968 26.8087 45.5023 26.8086 -20.9198 GPRESSAVG: 1864000 -34.0825 -24.0765 44.6988 -25.0421 23.5944 28.4268 46.0791 25.5666 -20.0421 TIMING: 1864000 CPU: 5824.23, 0.00311872/step Wall: 5824.23, 0.00311872/step, 2.71675 hours remaining, 234.550781 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: 1864000 3901.0020 20642.6395 14451.8514 265.9245 -203199.0118 2682.5810 0.0000 0.0000 52010.4862 -109244.5272 298.9050 -161255.0135 -108872.1337 299.2342 20.0268 47.4802 761919.4008 -10.3655 -10.1767 PRESSURE: 1864200 70.3626 8.0294 151.087 8.02968 210.099 86.7085 151.087 86.7083 -109.198 GPRESSURE: 1864200 101.277 -65.0564 151.626 -67.7908 222.555 90.6888 39.951 42.7348 -76.3641 PRESSAVG: 1864200 -38.2675 -27.1626 22.8951 -27.1626 43.456 17.571 22.8951 17.5711 7.92366 GPRESSAVG: 1864200 -38.1329 -28.0369 22.6648 -29.2203 43.3351 17.5708 22.7057 19.6061 7.5339 TIMING: 1864200 CPU: 5824.85, 0.00311937/step Wall: 5824.85, 0.00311937/step, 2.71715 hours remaining, 234.550781 MB of memory in use. ENERGY: 1864200 3968.2470 20484.1230 14493.9170 247.5977 -203456.4716 2711.8373 0.0000 0.0000 52539.2931 -109011.4565 301.9440 -161550.7496 -108647.3336 299.7697 57.0879 82.4891 765595.3109 4.3707 4.2454 LDB: ============= START OF LOAD BALANCING ============== 5837.33 LDB: ============== END OF LOAD BALANCING =============== 5837.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5837.33 LDB: ============= START OF LOAD BALANCING ============== 5837.64 LDB: Largest compute 6972 load 0.029866 is 15.3% of average load 0.194907 LDB: Average compute 0.004421 is 2.3% of average load 0.194907 LDB: TIME 5837.65 LOAD: AVG 0.194907 MAX 0.214658 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.98 MB LDB: TIME 5837.65 LOAD: AVG 0.194907 MAX 0.214658 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.984 MB LDB: TIME 5837.65 LOAD: AVG 0.194907 MAX 0.214658 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.984 MB LDB: ============== END OF LOAD BALANCING =============== 5837.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5837.65 PRESSURE: 1864400 -322.34 -86.7096 -146.079 -86.7096 -263.588 241.128 -146.079 241.128 100.729 GPRESSURE: 1864400 -197.489 -50.1252 -65.3924 -59.6464 -302.655 228.614 -71.4554 156.839 94.5484 PRESSAVG: 1864400 -5.92762 71.0346 -38.4248 71.0346 -0.217021 54.7926 -38.4248 54.7925 -22.5601 GPRESSAVG: 1864400 -6.42833 70.2011 -37.9811 74.8669 0.0771074 54.7497 -38.7026 53.3339 -22.7377 TIMING: 1864400 CPU: 5825.49, 0.0031876/step Wall: 5825.49, 0.0031876/step, 2.7764 hours remaining, 235.011719 MB of memory in use. ENERGY: 1864400 4020.3363 20570.4441 14504.6107 250.8528 -203279.6099 2641.0812 0.0000 0.0000 52239.1625 -109053.1223 300.2192 -161292.2848 -108687.3857 299.7227 -161.7331 -135.1984 763860.4526 -9.5682 -9.6963 PRESSURE: 1864600 174.181 -89.5512 -56.368 -89.5514 -38.089 -164.546 -56.3676 -164.545 17.3409 GPRESSURE: 1864600 197.256 -224.468 -39.3235 -174.959 -10.5131 -143.301 37.6736 -165.951 29.4631 PRESSAVG: 1864600 0.951429 -13.9646 -23.3103 -13.9646 5.41532 26.813 -23.3103 26.813 16.7784 GPRESSAVG: 1864600 0.892626 -14.7736 -22.1804 -13.866 5.05494 25.8653 -22.1453 27.3459 17.2134 TIMING: 1864600 CPU: 5826.11, 0.00312516/step Wall: 5826.11, 0.00312516/step, 2.72184 hours remaining, 235.011719 MB of memory in use. ENERGY: 1864600 4017.7810 20632.6820 14459.0016 235.8641 -202977.6852 2717.2378 0.0000 0.0000 52019.0143 -108896.1045 298.9540 -160915.1188 -108549.8670 299.3792 51.1444 72.0687 762645.8361 7.7150 7.7203 PRESSURE: 1864800 -86.4248 -112.086 -47.4247 -112.085 235.335 22.8111 -47.4259 22.8099 -1.72098 GPRESSURE: 1864800 -48.5468 -147.069 -86.339 -36.6276 276.199 15.1598 -39.792 25.6204 -9.62163 PRESSAVG: 1864800 -41.2793 48.2263 26.5292 48.2263 36.9658 -32.7476 26.5292 -32.7476 -4.15291 GPRESSAVG: 1864800 -41.8759 50.9441 24.1242 46.3296 37.8643 -31.7552 25.4923 -31.4341 -4.04462 TIMING: 1864800 CPU: 5826.74, 0.00311842/step Wall: 5826.74, 0.00311842/step, 2.71579 hours remaining, 235.011719 MB of memory in use. ENERGY: 1864800 3938.1328 20602.4547 14501.4934 241.4040 -202857.2878 2623.3487 0.0000 0.0000 52178.6854 -108771.7687 299.8716 -160950.4542 -108418.0753 299.6863 49.0630 72.6767 764471.8322 -2.8221 -2.6854 PRESSURE: 1865000 151.965 23.7105 -159.246 23.7118 -192.836 126.954 -159.246 126.952 -530.361 GPRESSURE: 1865000 95.2962 -51.0158 -167.359 -7.40782 -123.099 116.553 -69.3032 142.564 -453.473 PRESSAVG: 1865000 -70.9073 52.7186 8.66691 52.7186 46.0219 49.9118 8.66694 49.9118 2.29966 GPRESSAVG: 1865000 -69.9743 48.8458 8.25561 53.335 45.2058 49.8695 11.9044 46.7474 1.83342 TIMING: 1865000 CPU: 5827.36, 0.00311826/step Wall: 5827.36, 0.00311826/step, 2.71549 hours remaining, 235.011719 MB of memory in use. ENERGY: 1865000 4051.3554 20480.3727 14444.3812 251.1101 -202783.8489 2387.0405 0.0000 0.0000 52252.9730 -108916.6161 300.2986 -161169.5891 -108548.1867 300.2035 -190.4108 -160.4253 763032.2068 -7.5286 -7.6450 PRESSURE: 1865200 -99.0419 -75.1885 -81.6792 -75.1887 -143.112 114.854 -81.6792 114.854 330.39 GPRESSURE: 1865200 -7.87854 -172.641 51.303 14.4184 -94.1847 118.051 -186.263 67.8913 277.552 PRESSAVG: 1865200 -58.6453 25.0405 2.90751 25.0403 28.8205 16.4245 2.90751 16.4245 1.81411 GPRESSAVG: 1865200 -57.9959 26.9282 4.74591 26.6009 27.3853 15.5229 2.06382 17.83 2.80542 TIMING: 1865200 CPU: 5827.98, 0.00310203/step Wall: 5827.98, 0.00310203/step, 2.70118 hours remaining, 235.011719 MB of memory in use. ENERGY: 1865200 3946.1290 20457.6442 14471.7153 253.7051 -202874.0277 2671.6019 0.0000 0.0000 52073.6196 -108999.6127 299.2678 -161073.2323 -108638.3628 299.5284 29.4119 58.4961 762279.1781 -9.3369 -9.2684 PRESSURE: 1865400 -2.25828 -41.1696 -188.158 -41.1702 -244.707 92.6742 -188.158 92.6742 294.357 GPRESSURE: 1865400 14.8599 23.7313 -245.077 -76.7451 -171.042 25.8488 -217.106 2.86512 305.813 PRESSAVG: 1865400 9.87081 -67.2944 11.5938 -67.2944 -21.0415 14.2722 11.5938 14.2722 -12.0451 GPRESSAVG: 1865400 9.38412 -68.4179 11.3038 -67.2954 -18.8675 14.6215 9.8268 13.4839 -13.6814 TIMING: 1865400 CPU: 5828.6, 0.00310286/step Wall: 5828.6, 0.00310286/step, 2.70173 hours remaining, 235.011719 MB of memory in use. ENERGY: 1865400 3982.5707 20509.4402 14552.6501 246.7433 -202920.7272 2586.5254 0.0000 0.0000 51996.1913 -109046.6061 298.8228 -161042.7974 -108681.7495 299.2211 15.7973 49.8769 760993.8470 -7.7386 -7.7216 PRESSURE: 1865600 -108.041 159.485 99.2792 159.485 147.464 6.92641 99.2793 6.92791 68.3929 GPRESSURE: 1865600 -141.434 -34.2293 54.9304 161.283 216.462 40.6986 115.919 -113.588 131.379 PRESSAVG: 1865600 85.2295 -82.5072 20.3845 -82.5072 -60.3013 9.83067 20.3845 9.83074 6.78684 GPRESSAVG: 1865600 84.612 -80.5487 21.1673 -83.6828 -62.1265 9.87926 20.7898 10.8604 8.71537 TIMING: 1865600 CPU: 5829.23, 0.00312351/step Wall: 5829.23, 0.00312351/step, 2.71954 hours remaining, 235.011719 MB of memory in use. ENERGY: 1865600 3902.7195 20547.8323 14440.9927 259.6625 -202889.5072 2589.5107 0.0000 0.0000 52299.0674 -108849.7222 300.5635 -161148.7896 -108482.7068 300.2176 35.9385 68.8024 762969.1621 10.5717 10.4003 PRESSURE: 1865800 -35.9911 -22.1918 -18.0949 -22.1917 -146.975 117.69 -18.0948 117.691 -248.192 GPRESSURE: 1865800 -106.889 -47.8628 10.1727 53.0065 -124.179 85.8938 170.404 103.983 -119.444 PRESSAVG: 1865800 -18.4098 -3.11963 25.1308 -3.11962 18.54 -9.81289 25.1309 -9.81285 26.1385 GPRESSAVG: 1865800 -18.8063 -4.51745 25.6721 -4.88156 19.1615 -8.51103 24.3408 -10.3562 26.2759 TIMING: 1865800 CPU: 5829.85, 0.00312072/step Wall: 5829.85, 0.00312072/step, 2.71693 hours remaining, 235.011719 MB of memory in use. ENERGY: 1865800 3970.7959 20585.3278 14431.8342 267.6952 -202862.4519 2512.4029 0.0000 0.0000 52266.7980 -108827.5979 300.3780 -161094.3960 -108471.1946 300.4367 -143.7193 -116.8372 762978.7376 8.7562 8.8770 PRESSURE: 1866000 627.108 -37.794 88.0093 -37.7943 -69.7462 -170.797 88.0091 -170.797 458.017 GPRESSURE: 1866000 605.447 7.12809 39.1337 -41.0293 35.7325 -170.81 122.781 -47.0076 453.106 PRESSAVG: 1866000 13.5598 -19.8158 34.2925 -19.8157 -24.6188 2.6368 34.2925 2.63682 -11.449 GPRESSAVG: 1866000 13.9989 -16.8763 34.0991 -17.4512 -24.4887 2.60219 35.821 2.17477 -12.2336 TIMING: 1866000 CPU: 5830.47, 0.00310763/step Wall: 5830.47, 0.00310763/step, 2.70536 hours remaining, 235.011719 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: 1866000 3961.8005 20513.5821 14536.8593 244.5651 -203282.2522 2736.0215 0.0000 0.0000 52153.9828 -109135.4410 299.7297 -161289.4238 -108783.8217 299.6169 338.4595 364.7617 762860.2482 -7.5026 -7.5745 PRESSURE: 1866200 -47.6302 39.3838 118.294 39.383 -289.445 -162.208 118.294 -162.208 132.57 GPRESSURE: 1866200 -55.4272 38.8308 87.479 -67.8574 -205.762 -168.309 90.2842 -251.113 137.945 PRESSAVG: 1866200 -30.7602 -8.20753 30.3635 -8.20755 37.7968 -40.4593 30.3635 -40.4593 8.11102 GPRESSAVG: 1866200 -31.4627 -8.00996 30.9274 -9.5276 38.1537 -39.4554 26.5629 -39.7238 7.60209 TIMING: 1866200 CPU: 5831.09, 0.00309649/step Wall: 5831.09, 0.00309649/step, 2.69549 hours remaining, 235.011719 MB of memory in use. ENERGY: 1866200 3978.5705 20517.3201 14503.1849 243.1162 -202964.9152 2454.4939 0.0000 0.0000 52021.4477 -109246.7819 298.9680 -161268.2295 -108880.9895 299.2156 -68.1685 -41.0814 763166.4797 5.0492 4.7644 PRESSURE: 1866400 -245.745 86.4398 -7.45333 86.4399 -273.161 -50.5335 -7.45362 -50.5326 -76.3173 GPRESSURE: 1866400 -190.782 -7.30536 -43.31 37.138 -279.671 -81.1963 153.312 -94.02 -32.1779 PRESSAVG: 1866400 -6.33526 24.5332 7.26116 24.5332 37.0592 -45.2712 7.26114 -45.2712 4.27723 GPRESSAVG: 1866400 -6.50555 22.7508 5.68189 25.8074 37.2215 -48.8968 11.1782 -44.8447 4.59765 TIMING: 1866400 CPU: 5831.72, 0.003126/step Wall: 5831.72, 0.003126/step, 2.72101 hours remaining, 235.011719 MB of memory in use. ENERGY: 1866400 4028.0106 20484.9466 14422.2135 249.9048 -203128.0076 2540.0318 0.0000 0.0000 52023.9403 -109378.9600 298.9823 -161402.9003 -109025.1628 299.0756 -198.4077 -167.5437 761575.1416 11.6671 11.7712 PRESSURE: 1866600 -553.384 -102.618 -162.234 -102.619 2.36264 295.261 -162.234 295.262 -17.8325 GPRESSURE: 1866600 -403.032 -131.946 -242.051 -1.33674 -71.662 237.223 -139.634 348.814 -9.67956 PRESSAVG: 1866600 38.9687 0.0455289 -4.39763 0.0455053 -70.2839 -6.41235 -4.39763 -6.41241 0.978943 GPRESSAVG: 1866600 39.2042 2.51718 -4.67625 -1.65127 -70.7183 -4.7942 -4.96436 -6.57947 1.43267 TIMING: 1866600 CPU: 5832.34, 0.00313439/step Wall: 5832.34, 0.00313439/step, 2.72814 hours remaining, 235.011719 MB of memory in use. ENERGY: 1866600 3995.1633 20654.3616 14410.5798 262.8541 -202920.0782 2326.4982 0.0000 0.0000 51895.5233 -109375.0978 298.2443 -161270.6211 -109012.6670 298.9618 -189.6181 -161.4579 762702.6926 -10.1121 -10.0272 PRESSURE: 1866800 -271.186 -179.146 -18.903 -179.146 -95.8054 -63.1859 -18.9033 -63.1864 -226.784 GPRESSURE: 1866800 -192.428 -182.627 -2.97729 -209.913 -145.723 -84.6921 -16.5405 -56.1047 -179.537 PRESSAVG: 1866800 2.27655 24.7389 -35.3187 24.739 19.2986 23.5452 -35.3187 23.5452 10.9465 GPRESSAVG: 1866800 3.50829 22.8551 -34.1693 27.3438 17.0085 25.3066 -35.8919 23.3313 11.8356 TIMING: 1866800 CPU: 5832.97, 0.0031388/step Wall: 5832.97, 0.0031388/step, 2.73181 hours remaining, 235.011719 MB of memory in use. ENERGY: 1866800 3984.4808 20400.0452 14517.7214 265.6386 -202873.4103 2350.1761 0.0000 0.0000 52102.0885 -109253.2597 299.4314 -161355.3482 -108885.8633 299.0919 -197.9251 -172.5624 762977.6554 10.8406 10.7841 PRESSURE: 1867000 -89.0842 291.896 -81.2449 291.897 197.566 -24.2325 -81.2455 -24.2337 193.708 GPRESSURE: 1867000 -84.0503 243.629 -48.3953 306.411 190.851 -6.38218 -47.0209 35.653 260.335 PRESSAVG: 1867000 25.1215 33.2985 27.064 33.2986 34.3993 -9.96344 27.0641 -9.96344 10.9 GPRESSAVG: 1867000 24.8696 31.3892 27.3188 33.0944 35.8037 -11.6257 26.5099 -9.86594 9.40203 TIMING: 1867000 CPU: 5833.6, 0.0031275/step Wall: 5833.6, 0.0031275/step, 2.72179 hours remaining, 235.011719 MB of memory in use. ENERGY: 1867000 4115.5523 20471.1782 14528.3059 250.2812 -203908.2211 3054.0259 0.0000 0.0000 51995.4778 -109493.3998 298.8187 -161488.8777 -109139.6782 298.7583 100.7300 122.3784 761494.3966 23.4736 23.3584 PRESSURE: 1867200 91.9347 78.955 -11.196 78.9556 378.871 -57.4384 -11.195 -57.4378 -559.968 GPRESSURE: 1867200 134.368 -47.9222 26.043 27.7754 379.827 -59.9941 -92.9633 -138.111 -508.844 PRESSAVG: 1867200 -10.0385 -7.93722 -6.87746 -7.93724 29.9744 -17.0945 -6.87744 -17.0945 12.6824 GPRESSAVG: 1867200 -11.294 -9.30851 -6.08661 -7.355 31.0618 -16.8453 -7.45483 -17.9333 13.0414 TIMING: 1867200 CPU: 5834.22, 0.00312143/step Wall: 5834.22, 0.00312143/step, 2.71634 hours remaining, 235.011719 MB of memory in use. ENERGY: 1867200 4035.9898 20566.3558 14409.9928 254.4485 -203237.7799 2439.1485 0.0000 0.0000 52184.6095 -109347.2349 299.9057 -161531.8444 -108986.0113 298.8495 -29.7210 1.7836 761631.3831 10.8728 10.9364 PRESSURE: 1867400 326.858 137.573 -32.7005 137.574 219.22 -32.8975 -32.7017 -32.8969 -88.616 GPRESSURE: 1867400 367.131 102.62 -47.8769 148.669 287.61 -73.0033 11.3889 179.135 -114.412 PRESSAVG: 1867400 -43.3635 -27.1337 -74.2544 -27.1337 35.8096 -6.70966 -74.2545 -6.70966 5.97862 GPRESSAVG: 1867400 -42.9084 -26.2295 -75.5941 -26.9389 35.0987 -7.19558 -73.529 -5.85516 6.25973 TIMING: 1867400 CPU: 5834.84, 0.00312033/step Wall: 5834.84, 0.00312033/step, 2.71521 hours remaining, 235.011719 MB of memory in use. ENERGY: 1867400 4017.3390 20477.9453 14487.8068 253.3671 -203784.0339 3098.5225 0.0000 0.0000 52153.2544 -109295.7989 299.7255 -161449.0533 -108929.5095 299.1192 152.4873 180.1100 761310.1371 -0.5251 -0.5166 PRESSURE: 1867600 -273.571 -12.539 105.723 -12.539 257.476 183.09 105.723 183.091 -5.27983 GPRESSURE: 1867600 -179.143 38.253 60.2305 102.151 141.181 148.968 125.297 2.29852 93.3957 PRESSAVG: 1867600 -54.9923 -2.54474 -34.096 -2.54474 85.3802 29.6932 -34.096 29.6931 2.74587 GPRESSAVG: 1867600 -56.1692 -2.18743 -33.7696 -4.13077 84.9571 30.3593 -35.82 30.4448 3.35988 TIMING: 1867600 CPU: 5835.47, 0.00311813/step Wall: 5835.47, 0.00311813/step, 2.71312 hours remaining, 235.011719 MB of memory in use. ENERGY: 1867600 3997.0193 20554.4629 14460.4099 247.8099 -203424.7846 2547.2108 0.0000 0.0000 52254.0827 -109363.7891 300.3049 -161617.8719 -109000.2325 299.6098 -7.1248 18.4781 760390.6641 11.0446 10.7159 PRESSURE: 1867800 -238.606 52.7388 -45.8593 52.7386 -50.5714 133.814 -45.8599 133.813 -26.8456 GPRESSURE: 1867800 -244.862 148.195 16.823 -30.3979 49.6832 105.274 -78.2968 -46.0575 -12.7765 PRESSAVG: 1867800 -24.8385 25.1001 -36.8583 25.1001 49.8728 2.3057 -36.8582 2.30563 2.49601 GPRESSAVG: 1867800 -23.4007 27.1945 -37.5674 25.797 50.0626 0.492718 -35.6746 0.0129097 0.994093 TIMING: 1867800 CPU: 5836.09, 0.0031249/step Wall: 5836.09, 0.0031249/step, 2.71884 hours remaining, 235.011719 MB of memory in use. ENERGY: 1867800 3961.0395 20548.2168 14474.8836 252.8899 -203146.1664 2506.1531 0.0000 0.0000 52245.5439 -109157.4397 300.2559 -161402.9835 -108790.7747 299.8771 -105.3411 -69.3185 762192.2823 9.1768 9.2187 PRESSURE: 1868000 -36.003 227.217 72.6894 227.217 -23.4496 48.1431 72.6894 48.1437 175.407 GPRESSURE: 1868000 -103.322 66.0383 115.94 210.576 90.8639 20.4817 76.6013 115.307 191.663 PRESSAVG: 1868000 -29.691 12.9406 -14.1035 12.9406 21.7524 46.7572 -14.1035 46.7572 -53.6177 GPRESSAVG: 1868000 -30.1046 11.1996 -13.8844 12.9214 21.4955 48.017 -16.8309 48.8558 -53.1033 TIMING: 1868000 CPU: 5836.72, 0.00312502/step Wall: 5836.72, 0.00312502/step, 2.71876 hours remaining, 235.011719 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: 1868000 3910.8307 20613.6836 14591.3980 272.4070 -203638.8152 2920.6852 0.0000 0.0000 52175.6645 -109154.1463 299.8543 -161329.8108 -108791.4214 299.3511 38.6513 59.7350 762153.8246 -20.5188 -20.5708 PRESSURE: 1868200 -1.16185 120.797 -36.1396 120.798 119.422 -93.4256 -36.1388 -93.426 -307.568 GPRESSURE: 1868200 28.1688 234.396 -6.06163 -24.1906 100.778 -72.3198 -68.8794 -185.076 -220.379 PRESSAVG: 1868200 -47.6818 60.1533 -11.4768 60.1534 61.2616 66.213 -11.4767 66.213 19.9608 GPRESSAVG: 1868200 -48.8388 60.7182 -11.1234 58.3824 62.3077 66.0574 -8.25691 65.4813 19.8639 TIMING: 1868200 CPU: 5837.34, 0.00312581/step Wall: 5837.34, 0.00312581/step, 2.71928 hours remaining, 235.011719 MB of memory in use. ENERGY: 1868200 3996.8707 20417.9643 14536.9237 239.8383 -203698.2255 2612.8500 0.0000 0.0000 52425.3969 -109468.3815 301.2895 -161893.7784 -109102.9510 299.3074 -63.1025 -30.4776 761570.7683 11.1802 11.1109 LDB: ============= START OF LOAD BALANCING ============== 5849.82 LDB: ============== END OF LOAD BALANCING =============== 5849.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5849.82 LDB: ============= START OF LOAD BALANCING ============== 5850.13 LDB: Largest compute 6998 load 0.029050 is 14.9% of average load 0.194974 LDB: Average compute 0.004415 is 2.3% of average load 0.194974 LDB: TIME 5850.14 LOAD: AVG 0.194974 MAX 0.211667 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.301 MB LDB: TIME 5850.14 LOAD: AVG 0.194974 MAX 0.211667 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.301 MB LDB: TIME 5850.14 LOAD: AVG 0.194974 MAX 0.211667 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.301 MB LDB: ============== END OF LOAD BALANCING =============== 5850.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5850.14 PRESSURE: 1868400 -183.441 -40.6094 -174.501 -40.6095 0.608887 -39.8924 -174.501 -39.8915 -23.6381 GPRESSURE: 1868400 -153.874 -2.41669 -136.719 -101.705 43.343 11.1341 -302.463 55.6934 -4.05781 PRESSAVG: 1868400 -48.3297 12.9954 -13.636 12.9955 86.8962 35.7304 -13.636 35.7304 -8.67997 GPRESSAVG: 1868400 -46.8592 11.8576 -12.6622 13.1699 85.7494 35.4716 -14.8044 36.6811 -9.4971 TIMING: 1868400 CPU: 5837.98, 0.00318087/step Wall: 5837.98, 0.00318087/step, 2.76701 hours remaining, 234.253906 MB of memory in use. ENERGY: 1868400 4039.4813 20559.2715 14500.2019 223.8520 -203437.3942 2620.2579 0.0000 0.0000 52149.7687 -109344.5608 299.7054 -161494.3296 -108981.3393 298.7413 -68.8236 -38.1961 761376.0132 9.9622 9.7977 PRESSURE: 1868600 -154.902 -7.05257 -15.4716 -7.05267 77.9078 154.384 -15.4712 154.384 -115.401 GPRESSURE: 1868600 -22.1895 98.5627 19.1587 -76.2046 106.508 86.2767 -54.4734 136.251 -182.774 PRESSAVG: 1868600 -37.2372 -16.6028 -12.5178 -16.6027 83.5778 51.8904 -12.5178 51.8903 -0.343554 GPRESSAVG: 1868600 -36.9792 -17.534 -13.5879 -15.0249 83.146 53.7515 -13.0253 50.6029 -0.545754 TIMING: 1868600 CPU: 5838.6, 0.0031252/step Wall: 5838.6, 0.0031252/step, 2.7184 hours remaining, 234.253906 MB of memory in use. ENERGY: 1868600 4104.8183 20515.9762 14542.2268 239.9279 -203177.8228 2460.7178 0.0000 0.0000 51934.2885 -109379.8674 298.4671 -161314.1559 -109019.2016 299.2384 -64.1318 -32.8186 761503.6277 15.3323 15.2070 PRESSURE: 1868800 -101.279 20.6028 -130.124 20.6023 -141.641 106.339 -130.124 106.339 -343.589 GPRESSURE: 1868800 -109.496 49.4502 -136.942 48.5517 -20.1144 114.993 -101.757 54.4918 -375.274 PRESSAVG: 1868800 -1.66769 10.4037 29.7926 10.4037 -1.00726 11.9968 29.7927 11.9968 -0.156974 GPRESSAVG: 1868800 -3.99171 11.4259 31.7715 10.8376 0.832942 11.3531 30.0098 14.0272 0.811089 TIMING: 1868800 CPU: 5839.23, 0.0031276/step Wall: 5839.23, 0.0031276/step, 2.72032 hours remaining, 234.253906 MB of memory in use. ENERGY: 1868800 4089.6664 20411.4481 14466.7140 241.7614 -203033.1811 2396.6349 0.0000 0.0000 52149.9900 -109276.9663 299.7067 -161426.9563 -108906.8461 298.7316 -195.5028 -168.2946 762571.3610 -0.9440 -0.7826 PRESSURE: 1869000 411.373 215.336 -2.9179 215.337 195.955 119.311 -2.91745 119.31 -85.2168 GPRESSURE: 1869000 448.845 163.689 52.7313 261.323 237.354 100.29 -45.393 10.9368 -79.29 PRESSAVG: 1869000 48.2549 41.8046 22.1208 41.8047 -40.1019 0.277543 22.1208 0.27752 3.06714 GPRESSAVG: 1869000 49.8599 42.1764 21.2765 40.9414 -41.0202 -0.0159361 22.5133 -2.07776 2.32307 TIMING: 1869000 CPU: 5839.85, 0.00312827/step Wall: 5839.85, 0.00312827/step, 2.72072 hours remaining, 234.253906 MB of memory in use. ENERGY: 1869000 4060.5260 20491.5154 14417.1097 240.4707 -203123.8094 2734.2429 0.0000 0.0000 52030.4954 -109149.4492 299.0200 -161179.9446 -108785.9841 299.0231 174.0369 202.3030 760950.0193 3.7401 3.7209 PRESSURE: 1869200 204.311 -123.595 2.45772 -123.596 268.72 9.02042 2.45833 9.0204 -48.7106 GPRESSURE: 1869200 200.64 -1.11378 -65.623 -120.441 316.918 -40.1532 35.1665 93.6259 6.59455 PRESSAVG: 1869200 -1.48736 -53.5988 5.86584 -53.5988 2.48764 1.91876 5.8659 1.91874 4.15345 GPRESSAVG: 1869200 0.182218 -52.2116 5.40719 -52.621 0.223388 2.83253 5.68817 2.66253 4.88491 TIMING: 1869200 CPU: 5840.48, 0.0031122/step Wall: 5840.48, 0.0031122/step, 2.70658 hours remaining, 234.253906 MB of memory in use. ENERGY: 1869200 3947.7364 20319.3846 14418.3138 246.9151 -203155.4747 2805.1724 0.0000 0.0000 52307.3060 -109110.6466 300.6108 -161417.9526 -108735.9295 299.3997 141.4400 174.7177 761947.1179 1.7179 1.7635 PRESSURE: 1869400 58.0082 42.798 4.06596 42.7976 -449.807 -87.5319 4.06642 -87.5321 -194.941 GPRESSURE: 1869400 113.063 2.60267 -95.315 83.4069 -451.392 -125.456 73.4559 -190.799 -167.44 PRESSAVG: 1869400 7.32781 26.0252 2.47375 26.0253 16.9865 -31.3301 2.47376 -31.3301 -17.3229 GPRESSAVG: 1869400 5.7803 25.9631 3.09401 26.2949 18.4546 -33.2773 2.02599 -32.7205 -17.0959 TIMING: 1869400 CPU: 5841.1, 0.00313093/step Wall: 5841.1, 0.00313092/step, 2.72269 hours remaining, 234.253906 MB of memory in use. ENERGY: 1869400 3913.8721 20583.0792 14509.1769 238.1296 -203083.9942 2389.5306 0.0000 0.0000 52008.3625 -109441.8434 298.8928 -161450.2060 -109076.5050 299.1826 -195.5801 -168.5898 762211.8510 2.3305 2.3797 PRESSURE: 1869600 155.441 60.3965 24.8195 60.397 -280.756 -91.9457 24.8198 -91.9454 -54.1999 GPRESSURE: 1869600 230.268 -9.35505 46.751 24.2901 -219.136 -55.0789 71.4171 25.151 -111.7 PRESSAVG: 1869600 -0.149395 -0.198293 38.6578 -0.198285 -4.09947 -25.1875 38.6579 -25.1875 -18.3106 GPRESSAVG: 1869600 0.710545 -2.2964 39.3688 -0.273708 -3.78406 -23.8238 37.8059 -23.9546 -19.5203 TIMING: 1869600 CPU: 5841.73, 0.00312941/step Wall: 5841.73, 0.00312941/step, 2.7212 hours remaining, 234.253906 MB of memory in use. ENERGY: 1869600 3995.4911 20494.2437 14446.9475 279.0506 -203457.4493 2705.5815 0.0000 0.0000 52134.3315 -109401.8035 299.6167 -161536.1350 -109038.7404 298.6991 -59.8382 -33.5225 762819.8543 -7.5198 -7.5313 PRESSURE: 1869800 -18.3682 -40.849 -258.84 -40.8486 29.9091 -87.3926 -258.841 -87.3912 -88.4279 GPRESSURE: 1869800 117.68 29.4301 -188.734 10.9773 -70.7024 -116.522 -317.315 -157.217 -48.6934 PRESSAVG: 1869800 -32.6298 -5.0914 -54.1597 -5.09138 33.0888 -8.76203 -54.1597 -8.762 -12.5885 GPRESSAVG: 1869800 -32.9386 -4.99405 -56.2757 -6.31509 33.5519 -9.40777 -52.3208 -9.57085 -12.3848 TIMING: 1869800 CPU: 5842.36, 0.0031381/step Wall: 5842.36, 0.0031381/step, 2.72858 hours remaining, 234.253906 MB of memory in use. ENERGY: 1869800 3955.5066 20575.6676 14456.0111 238.8418 -202959.1498 2538.0521 0.0000 0.0000 51607.6111 -109587.4594 296.5897 -161195.0705 -109230.0796 298.5774 -25.6290 -0.5718 764059.0217 -4.0431 -3.9238 PRESSURE: 1870000 -49.7731 36.4189 -143.167 36.4192 178.282 185.773 -143.167 185.773 -515.998 GPRESSURE: 1870000 -62.4664 -51.5338 -55.0055 -55.2635 221.499 216.01 -138.582 94.386 -468.497 PRESSAVG: 1870000 -1.06905 -1.21453 7.1705 -1.21452 -0.603393 4.18842 7.17052 4.18849 -9.38402 GPRESSAVG: 1870000 -1.92712 -0.453773 6.85464 -0.530867 -0.568325 4.41101 8.58239 5.17568 -8.59359 TIMING: 1870000 CPU: 5842.98, 0.00312285/step Wall: 5842.98, 0.00312285/step, 2.71515 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1870000 4030.5934 20501.1755 14428.4856 242.1062 -203540.6216 2919.0507 0.0000 0.0000 51972.8588 -109446.3514 298.6887 -161419.2102 -109083.3298 298.6317 -129.1632 -103.1549 764385.6492 -3.6855 -3.6963 PRESSURE: 1870200 -99.1615 27.7459 22.6744 27.7458 -182.525 -35.2568 22.6743 -35.2576 147.503 GPRESSURE: 1870200 -27.5487 16.162 49.4524 -33.5468 -183.281 -67.578 -101.665 -16.1969 153.027 PRESSAVG: 1870200 10.4523 -26.6135 -30.1214 -26.6135 10.6404 10.5532 -30.1215 10.5532 -4.71023 GPRESSAVG: 1870200 9.43577 -26.3323 -27.3915 -26.5695 12.9168 10.3858 -32.5738 10.5289 -5.48403 TIMING: 1870200 CPU: 5843.61, 0.0031278/step Wall: 5843.61, 0.0031278/step, 2.71928 hours remaining, 234.253906 MB of memory in use. ENERGY: 1870200 3972.9725 20362.8496 14454.3960 240.2308 -203209.8166 2730.6235 0.0000 0.0000 52153.8986 -109294.8456 299.7292 -161448.7442 -108927.1450 298.9262 -44.7281 -19.2675 764568.8696 5.4608 5.6228 PRESSURE: 1870400 167.92 -18.8269 -58.6298 -18.8266 186.27 116.162 -58.6298 116.162 6.45287 GPRESSURE: 1870400 162.15 -16.0082 -123.274 51.6792 279.995 108.727 -170.94 179.002 -13.9491 PRESSAVG: 1870400 -65.208 93.8966 -28.1668 93.8967 64.2959 -39.8773 -28.1668 -39.8773 -4.73036 GPRESSAVG: 1870400 -63.866 93.6239 -29.3534 93.3052 62.9792 -39.9892 -29.3836 -40.3698 -4.92252 TIMING: 1870400 CPU: 5844.23, 0.00312109/step Wall: 5844.23, 0.00312109/step, 2.71326 hours remaining, 234.253906 MB of memory in use. ENERGY: 1870400 4024.1199 20331.4437 14496.0058 241.2699 -203560.6400 3164.9007 0.0000 0.0000 52062.0889 -109240.8111 299.2015 -161302.9000 -108871.1214 299.0627 120.2144 142.7320 763107.1843 -1.8808 -1.9364 PRESSURE: 1870600 148.644 -71.1359 -296.344 -71.1364 174.376 -162.983 -296.343 -162.981 -302.118 GPRESSURE: 1870600 186.891 130.397 -227.869 -25.9859 153.233 -94.2229 -204.803 -173.971 -224.606 PRESSAVG: 1870600 -8.27769 31.8544 18.0395 31.8543 46.3523 5.02905 18.0395 5.02908 -16.093 GPRESSAVG: 1870600 -7.58718 32.4614 17.8974 31.7179 46.3713 6.88638 20.2892 6.08772 -16.4706 TIMING: 1870600 CPU: 5844.86, 0.00313108/step Wall: 5844.86, 0.00313108/step, 2.72178 hours remaining, 234.253906 MB of memory in use. ENERGY: 1870600 4048.7372 20441.0704 14516.2113 229.5707 -203443.3470 2840.4587 0.0000 0.0000 51878.4691 -109488.8295 298.1463 -161367.2986 -109136.2908 298.9039 6.9674 38.5060 761768.5039 7.3272 7.4378 PRESSURE: 1870800 -268.643 -85.7819 23.8735 -85.7817 -217.207 141.631 23.8728 141.631 -581.07 GPRESSURE: 1870800 -332.185 -138.296 -67.0266 -160.924 -150.862 222.264 175.49 68.9113 -514.783 PRESSAVG: 1870800 -33.9895 48.5464 21.0996 48.5464 27.75 -50.3812 21.0996 -50.3812 -12.6559 GPRESSAVG: 1870800 -34.4223 49.4015 20.8805 48.3428 27.7025 -51.3227 21.6075 -51.7232 -12.5163 TIMING: 1870800 CPU: 5845.48, 0.00312879/step Wall: 5845.48, 0.00312879/step, 2.71961 hours remaining, 234.253906 MB of memory in use. ENERGY: 1870800 3982.8278 20514.0876 14515.2013 255.1765 -203187.8602 2429.1350 0.0000 0.0000 52007.6139 -109483.8180 298.8885 -161491.4319 -109118.6040 298.6605 -355.6397 -332.6099 761808.3265 -6.2985 -6.4120 PRESSURE: 1871000 -284.202 230.331 -73.3461 230.331 -75.0112 57.3079 -73.3462 57.3068 -265.084 GPRESSURE: 1871000 -200.287 207.631 -92.357 254.527 -144.516 42.8956 -67.1801 138.491 -198.575 PRESSAVG: 1871000 -45.0427 71.389 -20.5078 71.389 76.6541 50.5219 -20.5079 50.5219 -0.712654 GPRESSAVG: 1871000 -46.3937 71.8773 -20.7896 72.5809 77.3837 48.0181 -22.2655 51.7178 -0.113989 TIMING: 1871000 CPU: 5846.11, 0.00312065/step Wall: 5846.11, 0.00312065/step, 2.71237 hours remaining, 234.253906 MB of memory in use. ENERGY: 1871000 4025.9025 20459.8929 14482.7089 241.2477 -203270.4258 2559.6481 0.0000 0.0000 52066.7054 -109434.3202 299.2281 -161501.0256 -109076.3819 299.2214 -208.0991 -181.1263 762501.9616 10.2996 10.2920 PRESSURE: 1871200 -115.972 176.735 158.716 176.736 -242.476 -48.7625 158.716 -48.7623 -165.754 GPRESSURE: 1871200 -87.9736 213.293 192.165 197.322 -209.802 -2.60369 9.6243 -222.671 -150.021 PRESSAVG: 1871200 -16.4843 66.6089 -39.0087 66.6088 52.1808 -42.2165 -39.0087 -42.2165 23.5194 GPRESSAVG: 1871200 -15.4442 63.6981 -38.3829 65.3355 50.6875 -39.7671 -40.2995 -44.7089 24.1376 TIMING: 1871200 CPU: 5846.73, 0.00311776/step Wall: 5846.73, 0.00311776/step, 2.70968 hours remaining, 234.253906 MB of memory in use. ENERGY: 1871200 4055.4370 20584.2305 14463.3970 246.3531 -203373.7637 2731.6620 0.0000 0.0000 51795.8593 -109496.8247 297.6715 -161292.6841 -109137.3709 298.7643 -174.7340 -149.2655 761675.3575 19.7387 19.7936 PRESSURE: 1871400 139.24 -162.634 -101.623 -162.634 251.902 -187.926 -101.624 -187.926 199.052 GPRESSURE: 1871400 97.2314 -93.5639 -68.1342 -46.7699 409.447 -118.098 -22.7523 -48.9873 168.924 PRESSAVG: 1871400 -86.8672 -11.8898 -14.2599 -11.8897 58.5222 -12.7576 -14.26 -12.7576 -5.40351 GPRESSAVG: 1871400 -86.2711 -11.3718 -14.3525 -10.1259 59.1647 -12.6136 -14.2776 -11.4605 -6.51271 TIMING: 1871400 CPU: 5847.35, 0.00311966/step Wall: 5847.35, 0.00311966/step, 2.71115 hours remaining, 234.253906 MB of memory in use. ENERGY: 1871400 4007.5183 20410.4373 14445.0155 275.5892 -203567.0370 2888.3754 0.0000 0.0000 52017.8342 -109522.2671 298.9472 -161540.1013 -109164.8367 298.7573 196.7313 225.2010 762568.8243 -11.2495 -11.2064 PRESSURE: 1871600 -654.215 -8.72629 -39.4016 -8.72657 -18.2664 79.9721 -39.4009 79.9729 -369.66 GPRESSURE: 1871600 -629.743 -73.7317 79.2195 -63.883 -3.66086 33.9604 -201.839 49.5446 -332.243 PRESSAVG: 1871600 -74.3361 53.9979 30.9695 53.9979 18.3853 -1.23248 30.9695 -1.23251 -2.43166 GPRESSAVG: 1871600 -75.3526 53.9835 32.4098 52.5174 19.2756 -1.87324 30.9305 -1.97999 -2.33375 TIMING: 1871600 CPU: 5847.98, 0.00311371/step Wall: 5847.98, 0.00311371/step, 2.70582 hours remaining, 234.253906 MB of memory in use. ENERGY: 1871600 4083.8206 20319.3418 14440.2503 256.6536 -203039.9714 2393.3391 0.0000 0.0000 52088.9358 -109457.6302 299.3558 -161546.5660 -109101.1104 298.5288 -347.3804 -321.8823 762912.3034 -19.4608 -19.4702 PRESSURE: 1871800 -138.44 -91.9173 -55.3598 -91.9174 69.5571 16.6803 -55.3599 16.6806 241.953 GPRESSURE: 1871800 -126.162 -172.112 -68.6093 -112.719 197.131 -29.6441 44.9454 43.9672 178.398 PRESSAVG: 1871800 -51.8902 0.352008 -31.964 0.352014 37.2536 -50.261 -31.964 -50.2611 -1.86515 GPRESSAVG: 1871800 -50.9268 1.1059 -34.2239 2.44869 36.4566 -51.4485 -31.2645 -49.4274 -1.69674 TIMING: 1871800 CPU: 5848.6, 0.0031263/step Wall: 5848.6, 0.0031263/step, 2.71658 hours remaining, 234.253906 MB of memory in use. ENERGY: 1871800 4006.9084 20456.1327 14399.7138 264.2414 -202939.7599 2540.6963 0.0000 0.0000 52228.0138 -109044.0536 300.1551 -161272.0674 -108689.9686 299.2393 57.6900 83.1227 761823.0936 -5.5006 -5.3890 PRESSURE: 1872000 -182.56 -96.4621 65.3233 -96.4626 -97.8826 -195.657 65.3226 -195.658 -26.3213 GPRESSURE: 1872000 -221.776 32.3083 36.862 9.88859 20.9971 -84.801 79.1477 -321.862 4.57326 PRESSAVG: 1872000 -11.4332 -42.8802 -5.91456 -42.8801 35.8067 -2.16774 -5.91456 -2.1678 -5.02105 GPRESSAVG: 1872000 -13.6113 -41.2969 -4.62608 -42.475 37.2837 -0.205928 -5.42795 -2.15762 -4.3916 TIMING: 1872000 CPU: 5849.23, 0.00312224/step Wall: 5849.23, 0.00312224/step, 2.71288 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1872000 4004.8952 20572.4341 14401.9823 258.1103 -203032.8744 2568.0631 0.0000 0.0000 52005.1858 -109222.2035 298.8745 -161227.3893 -108874.6908 299.7531 -102.2546 -65.4018 763218.5100 6.4508 6.4269 PRESSURE: 1872200 -168.977 -54.1021 114.987 -54.1022 112.842 -286.806 114.987 -286.805 -48.3648 GPRESSURE: 1872200 -78.7766 -123.032 62.8825 4.54278 83.6586 -205.385 211.439 -331.229 -38.8983 PRESSAVG: 1872200 -55.0337 -25.3676 2.84529 -25.3676 40.2428 -61.4819 2.84529 -61.4819 -24.7758 GPRESSAVG: 1872200 -53.7878 -28.1085 3.41461 -25.8105 38.4289 -62.4531 2.18145 -61.007 -24.5464 TIMING: 1872200 CPU: 5849.85, 0.00312864/step Wall: 5849.85, 0.00312864/step, 2.71827 hours remaining, 234.253906 MB of memory in use. ENERGY: 1872200 4017.3023 20467.8362 14491.0863 248.0538 -202937.1511 2546.2758 0.0000 0.0000 51918.5246 -109248.0720 298.3765 -161166.5967 -108885.6699 299.3947 -34.8332 -11.3388 762006.8811 -13.1889 -13.3018 LDB: ============= START OF LOAD BALANCING ============== 5862.33 LDB: ============== END OF LOAD BALANCING =============== 5862.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5862.33 LDB: ============= START OF LOAD BALANCING ============== 5862.64 LDB: Largest compute 6998 load 0.032197 is 16.5% of average load 0.194983 LDB: Average compute 0.004403 is 2.3% of average load 0.194983 LDB: TIME 5862.65 LOAD: AVG 0.194983 MAX 0.214072 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.441 MB LDB: TIME 5862.65 LOAD: AVG 0.194983 MAX 0.214072 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.445 MB LDB: TIME 5862.65 LOAD: AVG 0.194983 MAX 0.214072 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.445 MB LDB: ============== END OF LOAD BALANCING =============== 5862.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5862.65 PRESSURE: 1872400 -39.9015 -154.862 157.566 -154.861 230.043 -83.0713 157.566 -83.0718 -29.0476 GPRESSURE: 1872400 -35.7452 -140.874 214.695 -84.8724 253.122 -66.0811 58.3849 -64.9898 20.9336 PRESSAVG: 1872400 -39.8971 -0.986911 -26.0434 -0.986952 32.1564 18.8346 -26.0434 18.8346 -7.45712 GPRESSAVG: 1872400 -39.7873 0.490046 -26.6047 -2.03716 32.8636 19.69 -25.563 17.9337 -8.02871 TIMING: 1872400 CPU: 5850.49, 0.00317858/step Wall: 5850.49, 0.00317858/step, 2.76148 hours remaining, 234.253906 MB of memory in use. ENERGY: 1872400 3983.4518 20492.8846 14424.4546 246.0619 -203510.2614 2954.3752 0.0000 0.0000 52162.7217 -109246.3117 299.7799 -161409.0334 -108890.1416 299.3728 53.6980 79.4369 761869.8504 -5.0659 -4.9841 PRESSURE: 1872600 -149.727 172.04 7.84906 172.039 0.273978 110.03 7.84899 110.03 222.465 GPRESSURE: 1872600 -50.9374 197.339 -1.92997 240.002 1.97478 69.5692 -129.861 -72.7731 193.661 PRESSAVG: 1872600 -65.6964 -26.6645 -37.3945 -26.6644 59.0542 -17.5324 -37.3944 -17.5324 8.40807 GPRESSAVG: 1872600 -65.2542 -28.5462 -38.2229 -25.5665 58.6601 -18.2102 -38.4648 -17.1586 7.98341 TIMING: 1872600 CPU: 5851.11, 0.0031204/step Wall: 5851.11, 0.0031204/step, 2.71076 hours remaining, 234.457031 MB of memory in use. ENERGY: 1872600 3969.6621 20411.7682 14443.2400 254.6342 -203193.2363 2640.6899 0.0000 0.0000 52279.6232 -109193.6186 300.4517 -161473.2417 -108834.0235 299.4030 24.3373 48.2327 764002.0694 0.5886 0.4631 PRESSURE: 1872800 229.85 46.2477 -51.5192 46.2476 239.473 21.2267 -51.5196 21.2266 179.354 GPRESSURE: 1872800 242.629 -80.3757 -19.5176 25.4169 243.522 48.2205 169.715 -1.09099 247.616 PRESSAVG: 1872800 -41.163 -42.6378 -2.59475 -42.6378 97.6718 -15.8645 -2.59474 -15.8645 12.4847 GPRESSAVG: 1872800 -42.291 -40.4432 0.00348975 -46.2862 97.189 -14.7556 -3.30994 -14.9693 13.8886 TIMING: 1872800 CPU: 5851.74, 0.00312082/step Wall: 5851.74, 0.00312082/step, 2.71095 hours remaining, 234.457031 MB of memory in use. ENERGY: 1872800 3989.7447 20429.5975 14446.9357 248.1322 -203318.2633 2781.2318 0.0000 0.0000 52250.3851 -109172.2365 300.2837 -161422.6215 -108808.6910 299.8199 216.2255 244.5887 761989.8988 22.9979 22.9289 PRESSURE: 1873000 54.9653 -32.5318 176.732 -32.5323 -315.669 114.22 176.732 114.221 -7.21728 GPRESSURE: 1873000 52.6471 -34.4858 144.777 -77.3268 -176.533 94.7036 280.426 26.7161 -46.2803 PRESSAVG: 1873000 -16.7756 51.3173 -45.3143 51.3172 6.2236 21.469 -45.3144 21.469 4.923 GPRESSAVG: 1873000 -16.3244 51.3109 -46.6502 52.81 7.06327 21.405 -43.6897 21.4166 3.39575 TIMING: 1873000 CPU: 5852.36, 0.00313706/step Wall: 5852.36, 0.00313706/step, 2.72489 hours remaining, 234.457031 MB of memory in use. ENERGY: 1873000 4026.4485 20557.8421 14429.9623 230.3415 -202955.2248 2505.1500 0.0000 0.0000 52084.4306 -109121.0498 299.3299 -161205.4804 -108757.6243 299.8584 -89.3070 -56.7219 761221.4342 -1.8763 -1.9551 PRESSURE: 1873200 -25.2535 -260.977 87.8189 -260.976 37.4894 -94.3133 87.8191 -94.314 -182.32 GPRESSURE: 1873200 29.7443 -177.576 89.2816 -194.019 52.7276 -197.175 181.242 9.66121 -164.854 PRESSAVG: 1873200 -12.1781 16.5048 -8.68181 16.5047 18.1173 49.6255 -8.68181 49.6254 5.62761 GPRESSAVG: 1873200 -12.9853 16.0776 -10.2389 18.5478 17.8004 49.822 -9.03483 47.9595 6.49271 TIMING: 1873200 CPU: 5852.99, 0.00313008/step Wall: 5852.99, 0.00313008/step, 2.71865 hours remaining, 234.457031 MB of memory in use. ENERGY: 1873200 3952.4667 20454.9305 14451.3786 238.7849 -203311.3522 2728.0095 0.0000 0.0000 52345.1648 -109140.6173 300.8284 -161485.7820 -108769.1135 300.0233 -56.6946 -27.4606 761327.8900 3.8556 3.7693 PRESSURE: 1873400 59.9382 -167.968 4.94461 -167.967 227.981 100.004 4.94446 100.004 20.4939 GPRESSURE: 1873400 46.8131 -80.6424 31.7261 -88.0558 232.123 44.5909 -107.87 232.599 84.4955 PRESSAVG: 1873400 27.5751 9.48389 -17.9702 9.48387 28.2526 11.4974 -17.9702 11.4975 -5.88061 GPRESSAVG: 1873400 27.9298 9.59117 -19.429 8.70131 27.9836 9.13895 -17.696 11.5865 -5.85012 TIMING: 1873400 CPU: 5853.61, 0.00311704/step Wall: 5853.61, 0.00311704/step, 2.70715 hours remaining, 234.457031 MB of memory in use. ENERGY: 1873400 3937.5154 20696.4789 14500.9366 248.6823 -203084.9384 2543.7820 0.0000 0.0000 52122.9201 -109034.6231 299.5511 -161157.5432 -108677.6744 300.2578 102.8043 121.1438 762268.3091 16.6490 16.6877 PRESSURE: 1873600 102.899 -91.284 118.531 -91.284 335.265 -257.843 118.531 -257.842 308.194 GPRESSURE: 1873600 141.883 -85.1077 98.0663 -146.68 411.317 -201.225 -25.5765 -141.515 278.678 PRESSAVG: 1873600 17.7594 -15.1359 -47.2093 -15.1358 0.320336 -22.7954 -47.2094 -22.7953 -1.62656 GPRESSAVG: 1873600 18.4954 -16.3991 -45.6568 -16.0359 -0.311098 -22.6431 -47.8392 -20.3964 -2.27311 TIMING: 1873600 CPU: 5854.24, 0.00313943/step Wall: 5854.24, 0.00313943/step, 2.72642 hours remaining, 234.457031 MB of memory in use. ENERGY: 1873600 3989.3071 20498.2083 14490.8827 250.5796 -203826.2495 3195.8268 0.0000 0.0000 52376.5410 -109024.9038 301.0087 -161401.4449 -108666.0773 299.8317 248.7860 277.2925 762891.9513 5.4844 5.3037 PRESSURE: 1873800 -309.895 136.591 -175.605 136.59 -29.3043 -2.56851 -175.605 -2.56967 -174.844 GPRESSURE: 1873800 -255.486 68.1457 -182.159 43.8155 -6.6596 -38.9745 -59.5671 -99.8918 -156.926 PRESSAVG: 1873800 -59.8784 26.3991 -23.1217 26.3992 84.0196 29.6546 -23.1218 29.6546 -9.42257 GPRESSAVG: 1873800 -60.8427 24.9458 -22.5051 26.6297 85.7834 32.3796 -21.9266 28.9965 -9.86395 TIMING: 1873800 CPU: 5854.87, 0.00312528/step Wall: 5854.87, 0.00312528/step, 2.71396 hours remaining, 234.457031 MB of memory in use. ENERGY: 1873800 3966.4812 20523.9829 14442.0284 248.8771 -203068.3612 2565.1766 0.0000 0.0000 52049.8447 -109271.9703 299.1312 -161321.8150 -108915.9871 299.4586 -171.3476 -139.6907 763072.0113 4.9062 5.0256 PRESSURE: 1874000 -102.912 105.813 -208.085 105.813 -132.406 -147.249 -208.085 -147.25 350.101 GPRESSURE: 1874000 -71.1419 44.154 -119.294 65.5707 -55.5685 -152.64 -132.748 -221.479 330.276 PRESSAVG: 1874000 -61.1664 26.1096 -12.0949 26.1096 83.3676 3.09584 -12.0949 3.09586 -4.96853 GPRESSAVG: 1874000 -61.0839 27.954 -11.6641 25.0026 81.9787 2.37885 -14.1062 1.77572 -4.19078 TIMING: 1874000 CPU: 5855.49, 0.00313982/step Wall: 5855.49, 0.00313982/step, 2.72641 hours remaining, 234.457031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1874000 3921.9386 20528.7413 14502.8647 241.4131 -203052.3998 2638.2975 0.0000 0.0000 52069.8795 -109149.2651 299.2463 -161219.1446 -108792.9419 299.6094 38.2609 67.8552 762101.5522 5.7442 5.5680 PRESSURE: 1874200 -20.9428 152.356 -10.6015 152.355 309.982 -70.7225 -10.6006 -70.7215 -54.6184 GPRESSURE: 1874200 -41.0683 122.416 70.4802 163.916 344.165 -19.9927 -56.1892 -95.503 16.8484 PRESSAVG: 1874200 -56.0067 -13.1432 -3.55113 -13.1432 33.3224 -27.724 -3.55116 -27.724 -0.806752 GPRESSAVG: 1874200 -57.9713 -13.3817 -3.22363 -14.3773 35.4182 -26.7893 -3.2245 -28.6049 -1.00795 TIMING: 1874200 CPU: 5856.12, 0.00314426/step Wall: 5856.12, 0.00314426/step, 2.73009 hours remaining, 234.457031 MB of memory in use. ENERGY: 1874200 3945.8998 20425.1437 14400.7511 220.8115 -203072.0670 2723.8102 0.0000 0.0000 52149.8200 -109205.8307 299.7057 -161355.6507 -108840.8859 299.2313 78.1403 106.6482 762465.0133 -7.8303 -7.8537 PRESSURE: 1874400 -5.1837 87.056 89.5951 87.0564 -184.324 -29.8864 89.5948 -29.8867 -117.108 GPRESSURE: 1874400 3.78561 127.119 60.507 109.092 -129.159 0.823965 5.66826 -22.227 -102.296 PRESSAVG: 1874400 -58.7319 6.74286 -15.5241 6.74281 46.3695 7.75992 -15.5241 7.75995 6.06398 GPRESSAVG: 1874400 -58.3552 8.84089 -17.0251 9.86434 45.6735 6.61396 -15.5804 10.4119 5.86888 TIMING: 1874400 CPU: 5856.75, 0.00312176/step Wall: 5856.75, 0.00312176/step, 2.71038 hours remaining, 234.457031 MB of memory in use. ENERGY: 1874400 3965.4347 20493.5174 14441.8280 256.2174 -203258.4223 2645.1555 0.0000 0.0000 51969.6200 -109486.6493 298.6701 -161456.2693 -109120.1756 299.2406 -102.2052 -75.8896 762249.8272 -2.0995 -2.2709 PRESSURE: 1874600 -165.135 29.866 77.04 29.8665 191.962 44.6629 77.0397 44.6619 160.568 GPRESSURE: 1874600 -47.6961 -46.2766 126.02 32.6655 213.741 21.8424 107.684 108.514 125.165 PRESSAVG: 1874600 -36.1714 21.0609 -28.2568 21.0609 75.7791 3.37406 -28.2569 3.37408 -44.429 GPRESSAVG: 1874600 -35.8892 20.4534 -29.2122 19.8365 74.9581 3.67655 -26.6911 2.38485 -43.7613 TIMING: 1874600 CPU: 5857.38, 0.00314/step Wall: 5857.38, 0.00314/step, 2.72604 hours remaining, 234.457031 MB of memory in use. ENERGY: 1874600 4001.1532 20495.9631 14465.1826 241.1950 -203773.1784 2925.9091 0.0000 0.0000 52187.3157 -109456.4598 299.9212 -161643.7755 -109100.1727 298.8750 62.4651 97.0701 761911.6454 -1.6071 -1.5642 PRESSURE: 1874800 -53.0061 -45.3201 -48.916 -45.3208 391.027 101.666 -48.9153 101.666 372.42 GPRESSURE: 1874800 -84.9123 -132.387 -30.5121 -62.1705 455.763 -9.87973 -76.6546 59.6897 442.407 PRESSAVG: 1874800 -51.4562 15.1804 14.5096 15.1804 60.4129 7.448 14.5097 7.44799 14.2153 GPRESSAVG: 1874800 -50.8183 13.8772 14.6054 14.5436 60.0357 8.85581 12.9931 6.13346 13.6961 TIMING: 1874800 CPU: 5858, 0.00314073/step Wall: 5858, 0.00314072/step, 2.7265 hours remaining, 234.457031 MB of memory in use. ENERGY: 1874800 3894.2165 20325.7437 14505.5425 252.8594 -203326.7541 2685.2806 0.0000 0.0000 52216.4539 -109446.6575 300.0887 -161663.1113 -109079.2252 299.0252 236.8137 271.0858 762077.8994 7.7240 7.6378 PRESSURE: 1875000 -219.202 -3.62711 -413.281 -3.62694 85.9385 -87.6144 -413.282 -87.6139 -334.962 GPRESSURE: 1875000 -166.359 -14.607 -363.91 36.1574 75.5639 -80.8044 -470.757 -96.1942 -314.6 PRESSAVG: 1875000 0.939212 -11.8849 43.1175 -11.8849 23.7516 -2.52409 43.1174 -2.52411 -12.6909 GPRESSAVG: 1875000 -0.353738 -8.16327 45.6263 -11.837 24.2409 -4.30967 43.8748 -2.51723 -11.9806 TIMING: 1875000 CPU: 5858.63, 0.00312782/step Wall: 5858.63, 0.00312782/step, 2.71512 hours remaining, 234.457031 MB of memory in use. ENERGY: 1875000 4026.5452 20628.1872 14499.9064 265.7016 -202942.8379 2292.7413 0.0000 0.0000 51750.7726 -109478.9838 297.4124 -161229.7564 -109130.2117 298.4760 -156.0754 -135.1316 762669.6263 4.0000 3.9689 PRESSURE: 1875200 -40.5326 19.913 -35.3356 19.9132 139.382 -125.838 -35.3359 -125.838 159.626 GPRESSURE: 1875200 -3.75639 87.1375 16.1679 -70.4909 171.728 55.0498 -16.1131 -159.092 155.108 PRESSAVG: 1875200 -90.5437 -18.3438 30.2346 -18.3438 111.511 -45.8182 30.2346 -45.8181 -41.9717 GPRESSAVG: 1875200 -90.4161 -20.643 30.3655 -17.5403 110.538 -44.6111 28.0546 -46.0868 -41.781 TIMING: 1875200 CPU: 5859.25, 0.00312356/step Wall: 5859.25, 0.00312356/step, 2.71125 hours remaining, 234.457031 MB of memory in use. ENERGY: 1875200 4059.4309 20520.9184 14487.3989 260.0252 -203068.7587 2661.4714 0.0000 0.0000 51870.2956 -109209.2182 298.0993 -161079.5138 -108856.0067 299.2056 86.1585 107.6934 763400.7892 -7.0015 -7.2198 PRESSURE: 1875400 37.1848 121.145 219.093 121.144 -298.594 84.4052 219.093 84.4051 -76.0006 GPRESSURE: 1875400 60.7909 165.936 281.848 133.096 -256.893 152.205 226.068 32.8488 -33.8598 PRESSAVG: 1875400 -16.4821 -2.23767 -23.8024 -2.23771 -31.4565 -23.3148 -23.8024 -23.3149 40.2819 GPRESSAVG: 1875400 -16.8136 -2.72618 -24.5851 -1.42555 -30.4488 -24.1331 -22.6521 -20.8591 40.2966 TIMING: 1875400 CPU: 5859.88, 0.00313363/step Wall: 5859.88, 0.00313363/step, 2.71982 hours remaining, 234.457031 MB of memory in use. ENERGY: 1875400 4019.4761 20424.1277 14507.1599 234.4319 -203040.3802 2643.3487 0.0000 0.0000 51959.2736 -109252.5624 298.6107 -161211.8359 -108893.5713 299.1630 -112.4700 -76.6540 764536.0965 -2.5522 -2.3220 PRESSURE: 1875600 293.069 216.869 -74.2319 216.869 -66.8208 324.432 -74.2324 324.433 160.493 GPRESSURE: 1875600 236.708 292.311 -75.547 188.891 34.9576 229.17 -2.44662 289.254 192.054 PRESSAVG: 1875600 -84.1504 11.621 -12.1853 11.6211 67.6937 -6.00192 -12.1854 -6.00191 -8.08526 GPRESSAVG: 1875600 -83.0027 12.7454 -12.5061 8.37685 68.1155 -5.50239 -11.1096 -7.90705 -8.97868 TIMING: 1875600 CPU: 5860.51, 0.00312567/step Wall: 5860.51, 0.00312567/step, 2.71274 hours remaining, 234.457031 MB of memory in use. ENERGY: 1875600 4014.1488 20363.1692 14546.0757 263.0473 -203387.0008 2837.5498 0.0000 0.0000 51852.7673 -109510.2426 297.9986 -161363.0099 -109141.0421 298.7707 128.9137 154.5731 763224.6008 -8.1806 -7.9553 PRESSURE: 1875800 142.234 144.508 -263.818 144.508 101.601 -153.352 -263.818 -153.351 70.7246 GPRESSURE: 1875800 157.083 98.2604 -144.411 146.354 156.28 6.00228 -273.67 -81.1921 77.0154 PRESSAVG: 1875800 -16.9741 -30.9712 -7.55776 -30.9712 38.5934 55.7618 -7.55777 55.7618 -11.1113 GPRESSAVG: 1875800 -16.6017 -31.2389 -6.73556 -28.706 37.5463 55.3447 -10.4641 56.7636 -10.4294 TIMING: 1875800 CPU: 5861.13, 0.00312318/step Wall: 5861.13, 0.00312318/step, 2.7104 hours remaining, 234.457031 MB of memory in use. ENERGY: 1875800 3924.6462 20616.3445 14462.1226 236.2258 -203351.3775 2601.9089 0.0000 0.0000 51887.5743 -109622.5551 298.1986 -161510.1295 -109271.0160 298.2478 104.8531 130.1262 762457.4008 3.5027 3.5051 PRESSURE: 1876000 -76.2484 -135.695 -258.066 -135.695 -213.981 14.1809 -258.065 14.181 -39.3723 GPRESSURE: 1876000 -33.6751 3.51581 -215.717 -73.5134 -218.681 -58.6243 -201 70 -7.49651 PRESSAVG: 1876000 -74.7896 -26.6613 -2.60763 -26.6612 19.5411 -16.423 -2.60759 -16.423 6.80085 GPRESSAVG: 1876000 -76.618 -27.5163 -2.4565 -25.9529 19.8206 -15.4488 -1.58437 -16.2596 7.94556 TIMING: 1876000 CPU: 5861.76, 0.00312315/step Wall: 5861.76, 0.00312315/step, 2.7102 hours remaining, 234.457031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1876000 3963.6650 20426.1325 14494.9910 266.4699 -202978.6972 2620.9399 0.0000 0.0000 51874.8682 -109331.6307 298.1256 -161206.4989 -108967.7692 298.5765 -109.8673 -86.6175 764459.1097 -16.1492 -16.2840 PRESSURE: 1876200 -115.921 -124.003 106.273 -124.003 455.096 47.0575 106.274 47.0575 79.7966 GPRESSURE: 1876200 -35.3665 -68.0349 84.576 -66.4436 420.021 92.7258 113.53 -141.576 128.662 PRESSAVG: 1876200 -25.9026 58.3876 7.0548 58.3877 4.19135 -20.8867 7.05474 -20.8866 6.53404 GPRESSAVG: 1876200 -25.1105 61.6093 4.94982 55.4891 4.78629 -20.0289 6.70117 -23.7494 5.69806 TIMING: 1876200 CPU: 5862.38, 0.00312866/step Wall: 5862.38, 0.00312866/step, 2.71481 hours remaining, 234.457031 MB of memory in use. ENERGY: 1876200 4022.3541 20419.5223 14559.2552 240.2943 -203985.9536 3147.8816 0.0000 0.0000 52344.0478 -109252.5983 300.8220 -161596.6461 -108896.4907 298.8681 139.6571 171.1056 760576.2320 -5.0591 -4.8754 LDB: ============= START OF LOAD BALANCING ============== 5874.86 LDB: ============== END OF LOAD BALANCING =============== 5874.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5874.86 LDB: ============= START OF LOAD BALANCING ============== 5875.17 LDB: Largest compute 6988 load 0.029100 is 14.9% of average load 0.194998 LDB: Average compute 0.004421 is 2.3% of average load 0.194998 LDB: TIME 5875.18 LOAD: AVG 0.194998 MAX 0.214804 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 5875.18 LOAD: AVG 0.194998 MAX 0.214804 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: TIME 5875.18 LOAD: AVG 0.194998 MAX 0.214804 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: ============== END OF LOAD BALANCING =============== 5875.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5875.19 PRESSURE: 1876400 230.168 155.627 159.352 155.627 -70.6826 -181.453 159.352 -181.453 -28.222 GPRESSURE: 1876400 249.122 78.2676 124.74 91.3868 -38.7237 -151.454 123.077 -86.445 2.45158 PRESSAVG: 1876400 -74.3431 3.52361 -13.9605 3.5236 26.0559 -5.64904 -13.9604 -5.64897 15.088 GPRESSAVG: 1876400 -73.6232 1.01357 -12.5541 5.33624 25.8948 -4.76579 -13.4737 -4.91593 14.112 TIMING: 1876400 CPU: 5863.02, 0.00319067/step Wall: 5863.02, 0.00319067/step, 2.76844 hours remaining, 234.562500 MB of memory in use. ENERGY: 1876400 3959.6621 20512.4262 14481.5326 243.7560 -203270.8797 2829.4055 0.0000 0.0000 52047.6776 -109196.4199 299.1187 -161244.0975 -108831.4101 299.3547 43.7545 70.9500 762919.6920 -11.0664 -11.2055 PRESSURE: 1876600 89.5266 63.6931 -210.269 63.6941 -128.92 37.2049 -210.268 37.2053 50.1558 GPRESSURE: 1876600 121.619 40.7037 -173.181 14.5646 -131.812 94.3476 -246.34 -77.6683 102.512 PRESSAVG: 1876600 13.1377 -20.761 -38.8978 -20.761 12.4089 21.7586 -38.8978 21.7586 -6.97621 GPRESSAVG: 1876600 12.6019 -20.9706 -39.1919 -21.3257 12.6349 19.4868 -39.853 21.6448 -6.18393 TIMING: 1876600 CPU: 5863.64, 0.003115/step Wall: 5863.64, 0.003115/step, 2.70261 hours remaining, 234.761719 MB of memory in use. ENERGY: 1876600 4029.1104 20514.3283 14500.3748 227.8162 -203308.8131 2569.8922 0.0000 0.0000 52011.8312 -109455.4601 298.9127 -161467.2913 -109091.1001 299.0407 3.5874 30.7730 762315.0268 6.1901 6.3510 PRESSURE: 1876800 -180.904 146.97 -191.184 146.971 60.7129 214.051 -191.183 214.051 -149.582 GPRESSURE: 1876800 -199.545 238.808 -89.2915 226.787 76.0173 273.134 -146.868 217.573 -73.3763 PRESSAVG: 1876800 11.712 25.5927 -20.3002 25.5927 -7.21891 6.66786 -20.3002 6.6679 12.5857 GPRESSAVG: 1876800 11.4402 27.2229 -20.5754 27.6655 -6.50365 7.41227 -19.2756 8.22734 11.3969 TIMING: 1876800 CPU: 5864.27, 0.00312664/step Wall: 5864.27, 0.00312664/step, 2.71254 hours remaining, 234.761719 MB of memory in use. ENERGY: 1876800 4017.0980 20656.0929 14498.2226 242.0545 -203104.0578 2420.9728 0.0000 0.0000 51846.7626 -109422.8545 297.9641 -161269.6171 -109057.5222 299.1113 -89.9242 -65.6346 763120.9584 5.6929 5.4445 PRESSURE: 1877000 -34.4477 -96.4583 282.344 -96.458 258.756 283.369 282.344 283.369 51.4998 GPRESSURE: 1877000 -13.5008 -28.9239 282.656 -188.321 278.085 272.23 303.005 222.696 115.565 PRESSAVG: 1877000 -34.4051 -0.307594 9.45467 -0.307575 85.9394 60.2801 9.45471 60.2801 -25.1258 GPRESSAVG: 1877000 -33.532 -0.424433 9.82616 -2.70053 84.5488 61.6932 9.4661 59.39 -24.7778 TIMING: 1877000 CPU: 5864.89, 0.00313631/step Wall: 5864.89, 0.00313631/step, 2.72075 hours remaining, 234.761719 MB of memory in use. ENERGY: 1877000 3966.0586 20423.6219 14454.8199 229.7057 -202881.5251 2743.6856 0.0000 0.0000 51699.9272 -109363.7062 297.1202 -161063.6334 -109006.7130 298.6171 91.9359 126.7164 763894.1093 8.8028 8.7463 PRESSURE: 1877200 -28.1861 -4.506 56.3451 -4.5056 61.8029 -196.418 56.3445 -196.417 -158.677 GPRESSURE: 1877200 36.3941 -47.6796 18.0232 -16.9668 126.307 -117.1 68.5683 -122.417 -217.225 PRESSAVG: 1877200 -10.4902 13.4998 37.5893 13.4998 13.039 62.5631 37.5893 62.5631 -16.6039 GPRESSAVG: 1877200 -10.1434 13.6216 38.6151 12.5926 13.1244 60.014 37.8275 62.3403 -17.1799 TIMING: 1877200 CPU: 5865.52, 0.00314153/step Wall: 5865.52, 0.00314153/step, 2.72511 hours remaining, 234.761719 MB of memory in use. ENERGY: 1877200 3969.1125 20535.0457 14525.2201 243.8174 -203166.5171 2726.9605 0.0000 0.0000 52070.0816 -109096.2792 299.2475 -161166.3608 -108735.2775 299.0114 -41.6866 -18.1749 763680.9688 -4.6850 -4.7329 PRESSURE: 1877400 -50.1803 131.886 -169.115 131.886 108.359 21.8256 -169.115 21.8247 207.938 GPRESSURE: 1877400 -43.2026 90.4395 -166.709 208.016 189.793 -10.674 -182.02 -39.4193 184.34 PRESSAVG: 1877400 14.4679 7.57121 21.683 7.57113 3.84057 -15.8875 21.683 -15.8876 -15.3783 GPRESSAVG: 1877400 14.7821 8.06733 20.4672 8.07522 4.1056 -17.1364 22.7869 -13.7236 -15.6523 TIMING: 1877400 CPU: 5866.15, 0.00313173/step Wall: 5866.15, 0.00313173/step, 2.71642 hours remaining, 234.761719 MB of memory in use. ENERGY: 1877400 3949.0337 20396.8963 14411.9168 245.7060 -202865.2729 2686.2340 0.0000 0.0000 52014.0655 -109161.4205 298.9255 -161175.4861 -108798.1297 299.0015 88.7054 110.3103 765259.7277 0.9768 1.0785 PRESSURE: 1877600 -435.569 -84.0075 239.247 -84.0087 -221.626 167.741 239.247 167.74 420.428 GPRESSURE: 1877600 -390.577 -159.524 197.915 -108.767 -146.103 137.095 124.56 119.652 395.312 PRESSAVG: 1877600 -25.9545 -58.452 -32.7127 -58.452 17.2163 -3.97843 -32.7127 -3.97846 -2.02089 GPRESSAVG: 1877600 -26.5191 -60.1168 -33.198 -58.1802 17.8601 -0.64908 -34.0304 -5.70832 -2.02855 TIMING: 1877600 CPU: 5866.78, 0.00314194/step Wall: 5866.78, 0.00314194/step, 2.72511 hours remaining, 234.761719 MB of memory in use. ENERGY: 1877600 4005.8499 20343.5842 14517.8645 240.7092 -202792.1411 2637.9402 0.0000 0.0000 51698.4836 -109347.7094 297.1119 -161046.1930 -108997.7086 298.5542 -78.9221 -47.1226 765636.5608 -3.5864 -3.5625 PRESSURE: 1877800 -90.4496 21.6756 -42.3462 21.6764 -263.016 91.3207 -42.3462 91.3211 -294.195 GPRESSURE: 1877800 -49.0989 57.9075 -73.7008 177.23 -219.363 136.828 -88.6793 -18.3555 -288.553 PRESSAVG: 1877800 -38.4955 -18.8201 -14.8175 -18.8202 14.3054 40.4361 -14.8175 40.4361 -12.5766 GPRESSAVG: 1877800 -39.8373 -19.1572 -14.3631 -18.1722 14.9954 39.0418 -13.2434 40.0084 -11.7353 TIMING: 1877800 CPU: 5867.41, 0.00314025/step Wall: 5867.41, 0.00314025/step, 2.72347 hours remaining, 234.761719 MB of memory in use. ENERGY: 1877800 3908.2305 20401.4124 14484.5128 233.0641 -202897.5883 2497.6719 0.0000 0.0000 51956.4705 -109416.2261 298.5945 -161372.6966 -109045.8862 297.9680 -215.8870 -185.6716 764601.0235 -12.2556 -12.1924 PRESSURE: 1878000 30.8881 71.7735 -191.447 71.7735 276.358 -55.6853 -191.447 -55.6844 200.867 GPRESSURE: 1878000 101.659 -30.8051 -233.916 215.225 230.237 -46.4633 -201.466 52.8149 251.242 PRESSAVG: 1878000 -5.75953 -51.7638 -4.65589 -51.7639 -33.8432 9.81142 -4.65587 9.8114 -9.62023 GPRESSAVG: 1878000 -3.77842 -52.2781 -3.27456 -53.035 -35.6386 9.50341 -7.67088 10.7944 -9.80665 TIMING: 1878000 CPU: 5868.03, 0.0031271/step Wall: 5868.03, 0.0031271/step, 2.71189 hours remaining, 234.761719 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: 1878000 3958.9592 20378.7350 14492.3840 232.2407 -202915.4985 2601.9613 0.0000 0.0000 51770.5949 -109480.6233 297.5263 -161251.2182 -109131.5261 298.2653 169.3710 194.3793 764736.4332 -16.4077 -16.4079 PRESSURE: 1878200 -45.6966 218.546 -80.5519 218.547 -148.629 236.968 -80.5509 236.968 -293.644 GPRESSURE: 1878200 80.7342 205.963 27.5967 164.042 -202.215 184.72 -54.2954 184.677 -279.912 PRESSAVG: 1878200 43.178 17.9877 -25.5819 17.9876 -49.4954 -0.183524 -25.5819 -0.183585 1.97324 GPRESSAVG: 1878200 41.8593 21.5513 -27.7358 16.461 -49.6037 0.0474592 -22.3112 -2.19351 3.79972 TIMING: 1878200 CPU: 5868.66, 0.00312898/step Wall: 5868.66, 0.00312898/step, 2.71335 hours remaining, 234.761719 MB of memory in use. ENERGY: 1878200 4085.9296 20593.1008 14393.1414 252.6340 -203294.9052 2673.2170 0.0000 0.0000 51785.9100 -109510.9724 297.6143 -161296.8824 -109151.9966 298.2152 -162.6565 -133.7975 764362.9118 -1.4481 -1.3149 PRESSURE: 1878400 3.06751 205.896 -177.249 205.897 -343.242 64.1577 -177.248 64.1584 -94.4753 GPRESSURE: 1878400 74.5709 106.132 -146.714 87.0515 -399.813 100.585 -205.334 1.79591 -7.04137 PRESSAVG: 1878400 18.316 40.4852 -15.0757 40.4853 19.1785 34.886 -15.0757 34.8861 2.30426 GPRESSAVG: 1878400 19.0391 38.6799 -15.3686 41.5193 21.1487 33.5111 -14.5754 35.14 0.216918 TIMING: 1878400 CPU: 5869.28, 0.00312953/step Wall: 5869.28, 0.00312953/step, 2.71365 hours remaining, 234.761719 MB of memory in use. ENERGY: 1878400 4020.9247 20365.1904 14478.3196 232.7007 -202851.6307 2352.4316 0.0000 0.0000 51933.4891 -109468.5748 298.4625 -161402.0638 -109116.0154 298.2540 -144.8834 -110.7611 763284.0045 13.2662 13.4682 PRESSURE: 1878600 -173.057 -47.3875 82.4903 -47.3877 19.6121 174.042 82.4901 174.042 29.7094 GPRESSURE: 1878600 -123.653 48.4907 67.4373 97.1223 49.8159 100.179 27.5471 219.975 8.05744 PRESSAVG: 1878600 -49.7833 5.00502 28.3276 5.00502 50.544 7.83099 28.3276 7.83104 -27.0489 GPRESSAVG: 1878600 -49.0223 5.98417 27.949 5.62642 49.0394 9.59984 28.4579 7.69817 -27.2522 TIMING: 1878600 CPU: 5869.91, 0.00314366/step Wall: 5869.91, 0.00314366/step, 2.72573 hours remaining, 234.761719 MB of memory in use. ENERGY: 1878600 4022.1332 20447.2739 14471.2237 263.3860 -202957.0833 2416.1357 0.0000 0.0000 52060.8750 -109276.0558 299.1946 -161336.9309 -108913.5090 299.0248 -41.2451 -21.9267 761716.3848 -8.7627 -9.0784 PRESSURE: 1878800 -16.8021 -141.109 -233.08 -141.109 416.005 -147.785 -233.081 -147.785 5.74159 GPRESSURE: 1878800 8.13192 -68.322 -151.393 1.83109 409.974 -155.195 -240.829 -133.358 72.3084 PRESSAVG: 1878800 -33.3003 -12.7827 29.2719 -12.7827 28.1436 -34.5173 29.2719 -34.5173 10.1349 GPRESSAVG: 1878800 -33.8002 -14.5522 30.8631 -11.429 27.8887 -36.3624 26.9057 -31.2666 10.8574 TIMING: 1878800 CPU: 5870.54, 0.00312065/step Wall: 5870.54, 0.00312065/step, 2.7056 hours remaining, 234.761719 MB of memory in use. ENERGY: 1878800 4012.5544 20459.1980 14491.4041 257.2931 -203488.4241 2869.8652 0.0000 0.0000 52101.3190 -109296.7903 299.4270 -161398.1093 -108935.9414 299.3210 134.9815 163.4714 761927.3230 1.6594 1.6486 PRESSURE: 1879000 -447.595 -77.7231 -39.4007 -77.7222 205.532 -88.2861 -39.4015 -88.2854 423.259 GPRESSURE: 1879000 -317.618 -183.957 -69.4973 -44.4033 223.453 -142.481 -114.763 -19.3949 357.803 PRESSAVG: 1879000 6.19797 -11.0143 23.9126 -11.0143 -11.2552 -0.47877 23.9125 -0.478762 4.42915 GPRESSAVG: 1879000 6.34981 -9.83866 23.2808 -13.1469 -11.1342 0.362363 23.9248 -1.04049 3.93732 TIMING: 1879000 CPU: 5871.17, 0.00315023/step Wall: 5871.17, 0.00315023/step, 2.73108 hours remaining, 234.761719 MB of memory in use. ENERGY: 1879000 4007.5856 20410.2130 14464.1359 244.4836 -203367.2742 3051.2888 0.0000 0.0000 51679.8950 -109509.6723 297.0051 -161189.5673 -109155.7387 299.0112 60.3988 87.8793 763052.6374 -0.2094 -0.2823 PRESSURE: 1879200 187.069 -33.8461 52.3825 -33.8463 -252.018 -58.224 52.3828 -58.2252 -364.822 GPRESSURE: 1879200 228.836 -105.569 30.0119 -78.0161 -300.351 -19.2555 8.94556 -72.1094 -270.353 PRESSAVG: 1879200 -11.1603 -52.2919 40.3709 -52.2919 -6.53005 -30.6023 40.3709 -30.6023 0.426217 GPRESSAVG: 1879200 -12.2625 -53.0452 40.3652 -51.09 -6.97079 -30.4113 40.8433 -30.8549 1.26367 TIMING: 1879200 CPU: 5871.79, 0.00314415/step Wall: 5871.79, 0.00314415/step, 2.72563 hours remaining, 234.761719 MB of memory in use. ENERGY: 1879200 3905.2813 20437.5854 14449.1104 249.3876 -203304.5028 2657.2869 0.0000 0.0000 52093.5469 -109512.3041 299.3823 -161605.8511 -109152.3736 298.8091 -143.2568 -113.9560 762898.5322 -5.7547 -5.9899 PRESSURE: 1879400 -109.249 117.695 72.951 117.695 76.2828 -153.963 72.951 -153.964 -296.627 GPRESSURE: 1879400 -167.943 188.938 16.2019 86.477 189.37 -149.879 39.4037 -246.389 -253.4 PRESSAVG: 1879400 -24.1978 -28.3894 -5.29945 -28.3894 11.2132 8.77304 -5.29944 8.77299 2.35799 GPRESSAVG: 1879400 -23.881 -27.7019 -6.92787 -28.9209 11.7454 11.0139 -4.45593 5.50334 1.23897 TIMING: 1879400 CPU: 5872.43, 0.00316597/step Wall: 5872.43, 0.00316597/step, 2.74437 hours remaining, 234.761719 MB of memory in use. ENERGY: 1879400 4049.7377 20318.9455 14469.1447 244.6599 -203408.2763 2728.1825 0.0000 0.0000 51980.9916 -109616.6144 298.7355 -161597.6061 -109259.6749 298.5650 -109.8643 -77.3242 760465.3671 -3.5422 -3.6322 PRESSURE: 1879600 -151.961 126.843 71.7782 126.842 -181.472 73.4312 71.7775 73.4311 111.207 GPRESSURE: 1879600 -188.569 146.809 95.8671 173.084 -110.042 40.5288 90.6829 30.675 148.173 PRESSAVG: 1879600 -8.87379 33.9585 -7.941 33.9585 -33.8003 -6.61267 -7.94102 -6.61264 0.653565 GPRESSAVG: 1879600 -10.4903 35.3422 -6.78351 34.0848 -32.1745 -8.20692 -9.86651 -3.36673 0.424064 TIMING: 1879600 CPU: 5873.06, 0.0031482/step Wall: 5873.06, 0.0031482/step, 2.72879 hours remaining, 234.761719 MB of memory in use. ENERGY: 1879600 4033.4489 20421.5961 14472.4681 261.5241 -203059.5942 2599.1272 0.0000 0.0000 51929.9980 -109341.4317 298.4424 -161271.4297 -108991.7660 298.5515 -74.0750 -50.1456 761917.3661 -14.0068 -14.0802 PRESSURE: 1879800 167.226 -25.1116 74.3066 -25.1125 93.7492 26.2432 74.3059 26.2435 176.413 GPRESSURE: 1879800 216.174 108.591 76.0328 18.9336 27.7974 26.4773 95.0332 -11.9133 262.843 PRESSAVG: 1879800 -50.1949 18.0746 -22.2982 18.0746 3.03213 -15.0288 -22.2983 -15.0288 8.32645 GPRESSAVG: 1879800 -48.3608 17.232 -23.0767 18.1828 -0.0299629 -15.8931 -19.2811 -15.2675 9.48096 TIMING: 1879800 CPU: 5873.69, 0.00314244/step Wall: 5873.69, 0.00314244/step, 2.72362 hours remaining, 234.761719 MB of memory in use. ENERGY: 1879800 3907.0793 20478.6899 14464.0191 262.1533 -203439.3637 2964.6358 0.0000 0.0000 52025.5513 -109337.2349 298.9916 -161362.7862 -108981.5012 298.3061 145.7961 168.9379 761719.1705 -12.9454 -12.9699 PRESSURE: 1880000 -290.009 85.7591 -7.65925 85.7598 -274.066 -160.49 -7.66005 -160.489 -247.938 GPRESSURE: 1880000 -276.106 57.2801 27.2857 100.138 -227.83 -120.958 77.3493 -142.528 -224.217 PRESSAVG: 1880000 49.1399 12.5136 -55.6675 12.5136 -0.324808 40.9937 -55.6675 40.9938 3.10735 GPRESSAVG: 1880000 48.2254 13.5346 -54.8477 9.8879 1.41114 40.863 -57.7277 39.5789 2.09057 TIMING: 1880000 CPU: 5874.32, 0.00314421/step Wall: 5874.32, 0.00314421/step, 2.72498 hours remaining, 234.761719 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: 1880000 3885.7149 20572.0355 14474.1172 263.0632 -202811.6926 2397.4524 0.0000 0.0000 51977.4189 -109241.8904 298.7149 -161219.3093 -108895.0499 299.1090 -270.6709 -242.7179 763078.1484 17.3075 17.2424 PRESSURE: 1880200 5.05604 56.2762 202.148 56.2764 13.75 -222.707 202.148 -222.707 -341.599 GPRESSURE: 1880200 83.6733 87.9694 107.59 20.2341 106.993 -258.055 220.689 -318.021 -437.617 PRESSAVG: 1880200 -22.7021 -21.175 33.8999 -21.175 -14.7523 -0.352693 33.8998 -0.352691 -34.626 GPRESSAVG: 1880200 -23.7508 -21.8534 34.1147 -17.9738 -14.529 0.486033 34.0111 -0.833074 -33.8657 TIMING: 1880200 CPU: 5874.94, 0.00314244/step Wall: 5874.94, 0.00314244/step, 2.72327 hours remaining, 234.761719 MB of memory in use. ENERGY: 1880200 4064.8593 20549.7142 14463.1286 240.1470 -202484.9837 2404.4762 0.0000 0.0000 51637.5171 -109125.1413 296.7615 -160762.6584 -108769.6778 298.8852 -107.5977 -82.3171 765085.3546 -24.0268 -24.0485 LDB: ============= START OF LOAD BALANCING ============== 5887.42 LDB: ============== END OF LOAD BALANCING =============== 5887.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5887.42 LDB: ============= START OF LOAD BALANCING ============== 5887.74 LDB: Largest compute 6972 load 0.033338 is 17.1% of average load 0.194991 LDB: Average compute 0.004419 is 2.3% of average load 0.194991 LDB: TIME 5887.74 LOAD: AVG 0.194991 MAX 0.21563 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.332 MB LDB: TIME 5887.74 LOAD: AVG 0.194991 MAX 0.21563 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.402 MB LDB: TIME 5887.75 LOAD: AVG 0.194991 MAX 0.21563 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.402 MB LDB: ============== END OF LOAD BALANCING =============== 5887.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5887.75 PRESSURE: 1880400 -112.334 -29.5503 -75.3453 -29.5512 -4.16912 20.2607 -75.3452 20.2601 -182.788 GPRESSURE: 1880400 -132.908 -23.7284 -92.6951 -32.3061 -19.8936 -6.51676 -73.9549 58.9194 -63.1641 PRESSAVG: 1880400 -18.1254 44.2986 47.0707 44.2986 23.5708 -8.78592 47.0707 -8.78582 -9.07667 GPRESSAVG: 1880400 -17.0874 44.7195 46.163 43.8289 22.8087 -8.00128 47.0138 -8.52841 -9.61809 TIMING: 1880400 CPU: 5875.59, 0.00321483/step Wall: 5875.59, 0.00321483/step, 2.78583 hours remaining, 233.539062 MB of memory in use. ENERGY: 1880400 4068.1488 20372.9192 14460.0046 246.4876 -202999.0813 2664.4019 0.0000 0.0000 51847.1392 -109339.9800 297.9662 -161187.1192 -108981.4200 299.0629 -99.7637 -71.9885 762265.6861 -1.2104 -1.2989 PRESSURE: 1880600 -77.2198 134.386 53.6932 134.386 -174.65 -134.759 53.6946 -134.758 -408.707 GPRESSURE: 1880600 -93.1551 169.86 36.6833 176.444 -148.979 -122.357 115.327 -175.813 -344.105 PRESSAVG: 1880600 -39.1591 63.2311 33.0845 63.2311 31.0929 44.1312 33.0844 44.1312 24.4694 GPRESSAVG: 1880600 -39.1152 62.7182 33.5884 63.8691 31.9169 44.373 34.2523 45.0985 23.7391 TIMING: 1880600 CPU: 5876.22, 0.00314449/step Wall: 5876.22, 0.0031445/step, 2.72471 hours remaining, 233.742188 MB of memory in use. ENERGY: 1880600 3951.1367 20466.4868 14454.8592 246.2868 -203226.0769 2607.8603 0.0000 0.0000 52187.8705 -109311.5766 299.9244 -161499.4470 -108947.5081 298.9979 -220.1921 -195.4132 762741.9626 5.4678 5.5136 PRESSURE: 1880800 -97.0068 112.562 10.0045 112.562 25.2588 -378.245 10.0052 -378.245 0.825695 GPRESSURE: 1880800 -152.481 68.5025 -19.7675 113.331 107.748 -313.321 32.6595 -394.38 79.6418 PRESSAVG: 1880800 -45.192 -21.378 -16.8462 -21.378 34.5777 -21.2113 -16.8462 -21.2114 -22.3846 GPRESSAVG: 1880800 -45.096 -21.4883 -17.3534 -25.2941 34.3338 -22.5738 -18.8812 -22.6832 -22.289 TIMING: 1880800 CPU: 5876.84, 0.00314125/step Wall: 5876.84, 0.00314125/step, 2.72172 hours remaining, 233.742188 MB of memory in use. ENERGY: 1880800 4006.7653 20501.6985 14494.8946 260.0303 -203228.2751 2802.7734 0.0000 0.0000 51856.6735 -109305.4394 298.0210 -161162.1129 -108946.3761 299.2721 -23.6408 11.6361 761883.9472 -10.9996 -11.0171 PRESSURE: 1881000 -197.274 -489.333 -188.964 -489.332 -114.146 -181.572 -188.963 -181.573 257.802 GPRESSURE: 1881000 -150.504 -471.805 -208.001 -333.501 -26.4587 -270.661 -93.9824 -223.887 193.708 PRESSAVG: 1881000 -7.91533 -23.5319 -1.23681 -23.5319 -4.58293 -64.8479 -1.23682 -64.8479 32.1175 GPRESSAVG: 1881000 -8.262 -25.1391 -0.934828 -19.7029 -4.08022 -64.913 -0.0759558 -65.0681 31.9977 TIMING: 1881000 CPU: 5877.47, 0.00313866/step Wall: 5877.47, 0.00313866/step, 2.7193 hours remaining, 233.742188 MB of memory in use. ENERGY: 1881000 3944.5906 20491.9170 14547.1288 236.1764 -202932.1667 2467.4892 0.0000 0.0000 52104.5560 -109140.3087 299.4456 -161244.8647 -108778.4554 299.1824 -17.8730 5.5817 761598.1602 6.5397 6.5518 PRESSURE: 1881200 -96.6963 -200.252 74.3996 -200.253 172.993 -174.564 74.3996 -174.565 -33.3472 GPRESSURE: 1881200 -96.1802 -133.973 33.5375 -141.295 170.985 -58.8363 145.425 -233.368 43.9383 PRESSAVG: 1881200 -4.786 -3.64103 -55.3485 -3.64109 38.9341 26.0465 -55.3485 26.0465 17.7059 GPRESSAVG: 1881200 -3.00494 -2.63186 -54.1159 -3.67146 38.1138 27.5535 -54.8372 26.1195 17.2059 TIMING: 1881200 CPU: 5878.1, 0.00312226/step Wall: 5878.1, 0.00312226/step, 2.70492 hours remaining, 233.742188 MB of memory in use. ENERGY: 1881200 4014.7748 20506.6715 14456.7276 220.4812 -202603.7643 2413.4032 0.0000 0.0000 52014.1418 -108977.5641 298.9260 -160991.7059 -108600.7496 299.9191 14.3165 39.5812 761215.5820 17.2847 17.4383 PRESSURE: 1881400 -248.605 -15.3326 -8.24801 -15.3323 45.553 32.3369 -8.24713 32.3358 -117.551 GPRESSURE: 1881400 -211.854 -130.674 -50.3511 110.586 34.91 26.738 -139.465 -44.4147 -66.4727 PRESSAVG: 1881400 -1.0675 -2.17716 -8.23289 -2.17717 26.0636 46.1581 -8.23287 46.1581 2.37335 GPRESSAVG: 1881400 -2.03935 -2.37399 -9.65771 -3.56485 26.6525 44.9799 -8.38726 46.4314 2.30155 TIMING: 1881400 CPU: 5878.72, 0.00312555/step Wall: 5878.72, 0.00312555/step, 2.70759 hours remaining, 233.742188 MB of memory in use. ENERGY: 1881400 4005.9959 20562.6819 14550.2815 246.2596 -203015.1643 2831.2271 0.0000 0.0000 51788.3648 -109030.3536 297.6284 -160818.7183 -108683.0064 299.4145 -106.8675 -81.1387 763136.5884 9.1232 8.9716 PRESSURE: 1881600 -478.128 -74.4518 143.845 -74.4517 249.65 75.171 143.845 75.1706 -298.241 GPRESSURE: 1881600 -361.892 -60.0665 145.433 -34.6392 202.567 91.6595 208.13 54.3728 -307.161 PRESSAVG: 1881600 -57.3378 -55.2078 -16.9026 -55.2077 64.4666 -6.93828 -16.9026 -6.93834 10.6909 GPRESSAVG: 1881600 -57.021 -51.5202 -16.0314 -56.4351 63.0731 -5.96804 -17.8471 -6.32968 11.2807 TIMING: 1881600 CPU: 5879.35, 0.00312654/step Wall: 5879.35, 0.00312654/step, 2.70828 hours remaining, 233.742188 MB of memory in use. ENERGY: 1881600 4005.9834 20476.4925 14583.9148 252.6907 -203143.7730 2661.7707 0.0000 0.0000 52014.5343 -109148.3867 298.9282 -161162.9210 -108789.6687 299.4296 -175.5728 -155.4952 762517.8065 5.9399 5.7776 PRESSURE: 1881800 43.1901 -40.446 -88.4713 -40.4456 -35.4501 -42.7809 -88.4717 -42.7797 279.795 GPRESSURE: 1881800 49.9095 -27.3436 -69.2016 -131.207 5.98727 16.5897 -10.7093 50.7528 302.856 PRESSAVG: 1881800 -35.7875 -0.0386719 -7.94447 -0.0386308 91.6179 11.3126 -7.94446 11.3126 5.7173 GPRESSAVG: 1881800 -36.2324 -2.82195 -7.18133 0.1184 93.3832 9.21505 -7.7027 11.5837 4.70155 TIMING: 1881800 CPU: 5879.98, 0.0031484/step Wall: 5879.98, 0.0031484/step, 2.72704 hours remaining, 233.742188 MB of memory in use. ENERGY: 1881800 4027.4256 20471.2329 14468.6671 231.8357 -202903.8400 2665.5615 0.0000 0.0000 52002.7562 -109036.3609 298.8606 -161039.1172 -108677.4630 299.0354 95.8449 119.5841 761856.4031 20.5159 20.6174 PRESSURE: 1882000 26.9878 -63.4154 24.5827 -63.4156 113.133 -63.7764 24.5828 -63.7764 13.5423 GPRESSURE: 1882000 48.9253 -121.418 51.2161 50.6999 158.15 18.1172 -69.463 -100.26 48.2373 PRESSAVG: 1882000 -19.0768 -27.7383 -41.6338 -27.7383 36.8994 -19.0296 -41.6339 -19.0296 15.2995 GPRESSAVG: 1882000 -20.0117 -26.9026 -42.125 -27.6268 37.5224 -18.7566 -43.0383 -22.2068 15.6315 TIMING: 1882000 CPU: 5880.6, 0.00312662/step Wall: 5880.6, 0.00312662/step, 2.708 hours remaining, 233.742188 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: 1882000 4072.3062 20307.6585 14468.1641 267.4151 -202876.0192 2624.2935 0.0000 0.0000 52155.0731 -108981.1086 299.7359 -161136.1818 -108622.8301 299.1488 51.2211 85.1042 761944.1357 11.0407 11.0474 PRESSURE: 1882200 -289.996 -65.4544 -106.139 -65.4539 -47.6956 -83.1247 -106.14 -83.1244 -345.832 GPRESSURE: 1882200 -305.653 -23.7439 -107.034 -135.386 17.0773 -148.446 -83.4109 -83.0163 -304.978 PRESSAVG: 1882200 2.12273 -28.3636 -6.8857 -28.3637 22.0822 2.62193 -6.88571 2.62181 21.6806 GPRESSAVG: 1882200 3.28346 -31.5801 -6.55027 -28.1939 20.04 2.07147 -6.66421 4.48516 22.1112 TIMING: 1882200 CPU: 5881.23, 0.00312582/step Wall: 5881.23, 0.00312582/step, 2.70714 hours remaining, 233.742188 MB of memory in use. ENERGY: 1882200 4012.4861 20501.4640 14538.3611 264.8476 -202966.5404 2282.2883 0.0000 0.0000 52331.6173 -109035.4760 300.7505 -161367.0933 -108656.0778 299.3901 -227.8413 -197.8512 763000.3650 15.2952 15.1449 PRESSURE: 1882400 -153.339 -94.1769 4.22631 -94.1763 88.6624 -253.53 4.22729 -253.528 -149.844 GPRESSURE: 1882400 -174.54 -135.918 -53.0363 -32.262 110.772 -270.339 137.711 -61.4435 -71.4391 PRESSAVG: 1882400 -70.6257 -10.0697 -15.4539 -10.0696 72.9067 -20.5127 -15.454 -20.5126 -22.4471 GPRESSAVG: 1882400 -71.1384 -7.75942 -15.2315 -9.22734 73.9084 -21.1935 -13.2825 -18.8973 -22.9257 TIMING: 1882400 CPU: 5881.85, 0.00313924/step Wall: 5881.85, 0.00313924/step, 2.71858 hours remaining, 233.742188 MB of memory in use. ENERGY: 1882400 3985.2099 20390.6812 14483.9277 240.9445 -203129.4986 2821.5986 0.0000 0.0000 52119.8591 -109087.2775 299.5335 -161207.1366 -108719.9713 299.7506 -71.5070 -45.0691 763187.2820 -6.7220 -6.7186 PRESSURE: 1882600 12.3564 131.215 -5.31466 131.214 -80.5332 -82.8169 -5.314 -82.8177 310.508 GPRESSURE: 1882600 87.0531 139.905 91.4102 -70.7986 -26.518 -115.718 -10.2746 -7.56215 268.079 PRESSAVG: 1882600 -30.731 -22.061 28.8249 -22.061 81.6034 80.0526 28.8249 80.0527 9.61176 GPRESSAVG: 1882600 -30.4602 -24.8443 29.3246 -22.3897 81.7771 80.2185 26.7182 80.0838 9.16376 TIMING: 1882600 CPU: 5882.48, 0.00313123/step Wall: 5882.48, 0.00313123/step, 2.71147 hours remaining, 233.742188 MB of memory in use. ENERGY: 1882600 3963.0310 20461.0913 14496.1633 239.0139 -202976.5498 2508.6309 0.0000 0.0000 52306.6665 -109001.9528 300.6071 -161308.6194 -108638.5964 299.6242 80.7770 109.5381 762966.4505 20.1614 20.1602 PRESSURE: 1882800 -65.4285 19.0624 -34.6173 19.062 94.1034 170.184 -34.6187 170.184 -50.8821 GPRESSURE: 1882800 -45.7275 47.6644 -44.6044 16.3681 133.611 274.328 -24.8313 95.8392 -43.2494 PRESSAVG: 1882800 -0.256692 19.4799 5.40071 19.4799 23.7502 -20.9252 5.40061 -20.9252 14.5805 GPRESSAVG: 1882800 -0.0103393 21.2754 2.99691 19.5165 22.4482 -18.844 8.5247 -22.4365 15.8819 TIMING: 1882800 CPU: 5883.1, 0.00311705/step Wall: 5883.1, 0.00311705/step, 2.69902 hours remaining, 233.742188 MB of memory in use. ENERGY: 1882800 3929.8403 20545.2216 14482.1282 243.1123 -203126.8253 2600.8309 0.0000 0.0000 52447.7300 -108877.9620 301.4178 -161325.6920 -108505.2114 299.9993 -7.4024 14.8781 762897.6593 12.6913 12.7732 PRESSURE: 1883000 64.648 121.569 155.264 121.569 343.759 83.4486 155.264 83.4492 218.961 GPRESSURE: 1883000 101.485 108.217 99.7938 175.028 343.106 227.195 115.784 132.857 247.117 PRESSAVG: 1883000 -32.7114 64.7439 -34.9512 64.7439 48.5565 -4.37205 -34.9512 -4.3719 7.8596 GPRESSAVG: 1883000 -32.112 63.4692 -33.6193 64.2943 49.2863 -4.87967 -38.5909 -6.1158 6.9171 TIMING: 1883000 CPU: 5883.73, 0.00311988/step Wall: 5883.73, 0.00311988/step, 2.7013 hours remaining, 233.742188 MB of memory in use. ENERGY: 1883000 4002.2609 20630.3682 14522.2901 244.5978 -203166.6996 2922.8756 0.0000 0.0000 51969.7313 -108874.5757 298.6708 -160844.3070 -108508.3238 300.0480 209.1228 230.5696 762513.4381 7.9016 8.0305 PRESSURE: 1883200 -114.937 52.041 -357.671 52.0406 -72.5155 162.867 -357.67 162.867 122.348 GPRESSURE: 1883200 -34.0672 -5.29964 -370.037 78.4669 -76.7348 133.651 -247.668 90.4867 113.297 PRESSAVG: 1883200 -33.8552 6.27417 -29.0763 6.27414 52.6376 14.9183 -29.0762 14.9183 -18.5783 GPRESSAVG: 1883200 -34.2337 6.0061 -31.5289 5.39931 53.2006 13.78 -27.124 15.84 -18.6157 TIMING: 1883200 CPU: 5884.35, 0.00310632/step Wall: 5884.35, 0.00310632/step, 2.68938 hours remaining, 233.742188 MB of memory in use. ENERGY: 1883200 4003.4276 20648.8872 14515.3928 254.4473 -203119.1871 2838.6263 0.0000 0.0000 52155.3401 -108703.0656 299.7375 -160858.4057 -108341.1482 300.5553 -21.7015 0.8316 765282.1685 0.0680 0.1171 PRESSURE: 1883400 -224.056 -129.387 -103.749 -129.388 47.232 61.8304 -103.75 61.8313 -272.756 GPRESSURE: 1883400 -251.841 -30.9453 -156.987 -196.444 91.9277 70.6146 31.3902 84.1157 -218.118 PRESSAVG: 1883400 -74.5397 -25.5488 -30.6551 -25.5488 73.7093 22.1819 -30.6551 22.1819 11.9279 GPRESSAVG: 1883400 -77.0845 -21.7643 -29.6988 -25.862 75.2156 23.3671 -30.7835 22.7861 12.854 TIMING: 1883400 CPU: 5884.97, 0.00312722/step Wall: 5884.97, 0.00312722/step, 2.7073 hours remaining, 233.742188 MB of memory in use. ENERGY: 1883400 4002.0271 20507.5613 14592.6906 234.8187 -203745.3753 3083.9233 0.0000 0.0000 52511.7059 -108812.6484 301.7855 -161324.3543 -108449.6623 300.2414 -149.8600 -126.0104 762508.3158 3.6992 3.6617 PRESSURE: 1883600 -168.582 -269.999 51.7684 -269.999 -402.79 59.212 51.7683 59.2129 -228.641 GPRESSURE: 1883600 -120.237 -307.998 23.6978 -240.989 -390.217 33.0061 -3.28349 138.248 -214.263 PRESSAVG: 1883600 -81.8553 -50.6989 -27.3211 -50.6989 41.7439 16.8303 -27.3211 16.8302 -4.10384 GPRESSAVG: 1883600 -80.6856 -52.0468 -27.4637 -50.7017 40.3494 15.7237 -27.7793 14.1661 -4.7565 TIMING: 1883600 CPU: 5885.6, 0.00314461/step Wall: 5885.6, 0.00314461/step, 2.72219 hours remaining, 233.742188 MB of memory in use. ENERGY: 1883600 4023.0791 20650.6538 14480.9728 245.2817 -202907.2719 2489.7364 0.0000 0.0000 51920.7796 -109096.7685 298.3894 -161017.5481 -108732.5271 300.1773 -266.6711 -241.5725 763922.5634 -14.7384 -15.0309 PRESSURE: 1883800 -348.662 -152.565 23.9637 -152.565 100.766 145.372 23.9636 145.372 -192.213 GPRESSURE: 1883800 -348.525 -152.276 77.5648 -127.46 148.335 35.9612 84.0423 136.306 -161.037 PRESSAVG: 1883800 2.05558 -50.6475 21.8872 -50.6476 50.7217 14.2367 21.8872 14.2367 1.05144 GPRESSAVG: 1883800 3.33272 -51.8308 22.3755 -49.519 49.3778 14.0553 23.8833 15.8636 1.53321 TIMING: 1883800 CPU: 5886.23, 0.00310911/step Wall: 5886.23, 0.00310911/step, 2.69128 hours remaining, 233.742188 MB of memory in use. ENERGY: 1883800 3929.6309 20535.7369 14483.3481 260.5887 -203190.8345 2643.7688 0.0000 0.0000 52236.2195 -109101.5415 300.2023 -161337.7611 -108733.6599 299.5883 -146.7031 -120.4091 763811.3039 17.9429 18.0812 PRESSURE: 1884000 -174.255 -247.116 49.4706 -247.116 64.985 138.331 49.471 138.33 41.2969 GPRESSURE: 1884000 -173.585 -182.128 86.9077 -345.149 72.5421 199.768 -102.829 86.9167 121.847 PRESSAVG: 1884000 -66.514 -10.031 -43.7397 -10.0311 29.7007 32.6031 -43.7397 32.6031 -9.74837 GPRESSAVG: 1884000 -67.7145 -8.01119 -43.0643 -10.5335 30.6886 32.9262 -45.2675 32.3803 -9.41187 TIMING: 1884000 CPU: 5886.85, 0.00311955/step Wall: 5886.85, 0.00311955/step, 2.70015 hours remaining, 233.742188 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: 1884000 3936.7195 20480.0506 14504.0668 244.4581 -203003.8958 2624.5300 0.0000 0.0000 51961.5103 -109252.5605 298.6235 -161214.0708 -108879.6790 299.1475 -22.6576 6.9345 762599.3363 -15.5206 -15.4793 PRESSURE: 1884200 -202.802 -114.605 113.642 -114.606 28.9596 -78.5386 113.642 -78.5392 225.732 GPRESSURE: 1884200 -163.077 -191.81 113.154 -201.06 69.1235 -63.4829 50.7082 -79.2109 223.665 PRESSAVG: 1884200 -20.3378 3.83838 23.97 3.83835 34.6536 38.0694 23.9701 38.0694 -9.2523 GPRESSAVG: 1884200 -21.2013 3.11267 23.2927 3.29881 35.4437 37.9974 23.0928 39.2886 -9.30917 TIMING: 1884200 CPU: 5887.48, 0.00313365/step Wall: 5887.48, 0.00313365/step, 2.71217 hours remaining, 233.742188 MB of memory in use. ENERGY: 1884200 3951.3333 20545.1335 14501.9484 248.0211 -202970.7967 2507.7107 0.0000 0.0000 52210.7824 -109005.8673 300.0561 -161216.6497 -108638.8701 298.9715 17.2965 43.2370 762512.5606 1.6878 1.6444 LDB: ============= START OF LOAD BALANCING ============== 5899.96 LDB: ============== END OF LOAD BALANCING =============== 5899.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5899.96 LDB: ============= START OF LOAD BALANCING ============== 5900.27 LDB: Largest compute 7007 load 0.029401 is 15.1% of average load 0.195098 LDB: Average compute 0.004407 is 2.3% of average load 0.195098 LDB: TIME 5900.28 LOAD: AVG 0.195098 MAX 0.215861 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.051 MB LDB: TIME 5900.28 LOAD: AVG 0.195098 MAX 0.215861 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.051 MB LDB: TIME 5900.28 LOAD: AVG 0.195098 MAX 0.215861 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.051 MB LDB: ============== END OF LOAD BALANCING =============== 5900.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5900.28 PRESSURE: 1884400 156.396 -30.5141 105.258 -30.5145 114.963 -159.237 105.258 -159.236 47.7812 GPRESSURE: 1884400 221.613 -104.643 119.794 -66.1998 94.2408 -157.368 83.0612 -121.94 82.4613 PRESSAVG: 1884400 -59.4306 10.7618 -1.94447 10.7618 85.0856 -28.9246 -1.94447 -28.9247 2.20676 GPRESSAVG: 1884400 -58.5439 9.57309 -0.13521 10.8764 84.1858 -29.0057 -2.47794 -30.085 1.85584 TIMING: 1884400 CPU: 5888.12, 0.00320224/step Wall: 5888.12, 0.00320224/step, 2.77136 hours remaining, 235.082031 MB of memory in use. ENERGY: 1884400 4047.0092 20544.4712 14422.8979 232.8603 -203181.5305 2876.4929 0.0000 0.0000 52015.0355 -109042.7634 298.9311 -161057.7989 -108683.4814 299.1902 106.3801 132.7716 762162.6285 9.2873 9.1659 PRESSURE: 1884600 -22.8025 -181.877 -108.446 -181.878 -28.7771 84.3828 -108.446 84.384 -113.011 GPRESSURE: 1884600 66.9103 -41.0318 -132.162 -69.3614 -16.9067 154.537 -164.669 4.87453 -128.64 PRESSAVG: 1884600 -36.6695 -44.9769 9.58242 -44.9769 24.7663 11.1096 9.58248 11.1096 0.949218 GPRESSAVG: 1884600 -36.164 -46.0321 7.32686 -42.8016 25.8268 10.5017 10.1738 12.5969 -0.695473 TIMING: 1884600 CPU: 5888.74, 0.00312794/step Wall: 5888.74, 0.00312794/step, 2.70688 hours remaining, 235.285156 MB of memory in use. ENERGY: 1884600 4039.4211 20700.6746 14438.0275 248.7048 -203104.7586 2619.7709 0.0000 0.0000 52171.3061 -108886.8535 299.8292 -161058.1597 -108528.4683 299.1949 -54.8634 -26.2121 765513.4069 -3.6513 -3.6776 PRESSURE: 1884800 -73.6004 74.2693 228.443 74.2692 202.195 -60.155 228.442 -60.1549 42.045 GPRESSURE: 1884800 40.0476 13.7268 138.73 170.32 183.443 -170.621 162.239 0.136622 39.488 PRESSAVG: 1884800 -80.4349 -33.829 1.79654 -33.8291 87.8956 -11.7336 1.79652 -11.7335 -5.74157 GPRESSAVG: 1884800 -81.5899 -33.9224 3.31157 -33.7718 87.3268 -13.071 3.04399 -12.9656 -4.2274 TIMING: 1884800 CPU: 5889.37, 0.00312986/step Wall: 5889.37, 0.00312986/step, 2.70837 hours remaining, 235.285156 MB of memory in use. ENERGY: 1884800 3917.9846 20491.6295 14528.1584 258.6895 -203573.0114 3110.5652 0.0000 0.0000 52104.2402 -109161.7440 299.4438 -161265.9842 -108799.8733 299.5057 56.8797 87.6595 764064.8118 0.5730 0.5032 PRESSURE: 1885000 -80.7243 -48.06 91.9527 -48.0599 -217.842 -7.71846 91.9536 -7.7198 -361.539 GPRESSURE: 1885000 -97.9672 15.2041 111.142 17.2112 -169.894 -1.11943 114.517 -10.087 -307.155 PRESSAVG: 1885000 -65.6676 -15.6066 20.6558 -15.6066 46.0539 -63.6063 20.6557 -63.6063 -0.797359 GPRESSAVG: 1885000 -65.2635 -13.5256 20.2978 -17.4949 45.1882 -61.2329 19.0213 -64.6101 -0.685954 TIMING: 1885000 CPU: 5889.99, 0.00312237/step Wall: 5889.99, 0.00312237/step, 2.70172 hours remaining, 235.285156 MB of memory in use. ENERGY: 1885000 3970.5541 20561.2290 14432.4854 254.9003 -202685.8615 2288.9122 0.0000 0.0000 51886.6479 -109291.1326 298.1933 -161177.7805 -108928.8174 298.7857 -220.0348 -191.6722 764260.9060 -6.8037 -6.9204 PRESSURE: 1885200 -301.557 -44.6254 160.219 -44.6254 -70.7149 71.8467 160.219 71.848 -271.635 GPRESSURE: 1885200 -340.958 -29.7576 113.037 -29.4488 46.586 65.8742 50.9219 53.8288 -272.252 PRESSAVG: 1885200 -27.6423 -32.7921 -44.1024 -32.7921 35.6156 -16.1606 -44.1024 -16.1606 6.57867 GPRESSAVG: 1885200 -29.1568 -32.5663 -45.5038 -31.1188 36.9943 -17.0756 -44.5175 -16.1783 7.10343 TIMING: 1885200 CPU: 5890.62, 0.00312397/step Wall: 5890.62, 0.00312397/step, 2.70293 hours remaining, 235.285156 MB of memory in use. ENERGY: 1885200 3969.8977 20423.7095 14459.2818 243.2084 -202906.3266 2398.7697 0.0000 0.0000 52135.7864 -109275.6730 299.6251 -161411.4594 -108901.7964 298.5259 -214.6356 -188.8745 762982.2002 4.8507 4.9803 PRESSURE: 1885400 -356.57 -52.3843 225.84 -52.3842 149.393 93.1057 225.841 93.1059 372.235 GPRESSURE: 1885400 -358.912 7.42533 188 -33.969 149.993 82.9556 240.527 52.678 457.089 PRESSAVG: 1885400 -72.9193 -21.2212 5.88758 -21.2212 47.2178 -0.354754 5.88754 -0.354689 -5.61198 GPRESSAVG: 1885400 -71.4596 -22.0294 6.72886 -22.4022 45.7968 -1.32158 6.94474 -0.399226 -5.16849 TIMING: 1885400 CPU: 5891.24, 0.00310716/step Wall: 5891.24, 0.00310716/step, 2.68821 hours remaining, 235.285156 MB of memory in use. ENERGY: 1885400 3994.4287 20484.6982 14441.7681 250.7739 -202771.9002 2408.0401 0.0000 0.0000 51770.4492 -109421.7420 297.5255 -161192.1912 -109052.7573 298.5468 55.0193 82.7234 762029.2669 -10.4378 -10.2771 PRESSURE: 1885600 -366.952 -23.6158 -134.101 -23.6153 -31.7615 17.2095 -134.1 17.2088 -148.775 GPRESSURE: 1885600 -316.508 12.3217 -209.069 -55.9226 0.579119 25.8488 -16.8567 146.554 -144.056 PRESSAVG: 1885600 -61.8318 -46.7763 -58.1711 -46.7764 33.949 -58.167 -58.1711 -58.167 -3.5884 GPRESSAVG: 1885600 -62.288 -46.7974 -57.2766 -46.3568 34.1634 -56.0384 -57.6512 -57.3685 -3.74852 TIMING: 1885600 CPU: 5891.87, 0.00314003/step Wall: 5891.87, 0.00314003/step, 2.71648 hours remaining, 235.285156 MB of memory in use. ENERGY: 1885600 4014.7783 20506.9855 14537.3087 243.2815 -203165.2252 2572.5384 0.0000 0.0000 51958.2391 -109332.0937 298.6047 -161290.3328 -108970.3143 298.5290 -182.4963 -153.3283 763170.5832 -10.4904 -10.6244 PRESSURE: 1885800 -86.9494 176.424 -61.8975 176.424 -209.213 -351.545 -61.8977 -351.544 -314.157 GPRESSURE: 1885800 -44.3142 208.137 -88.1277 177.1 -167.852 -346.803 -171.35 -212.872 -302.972 PRESSAVG: 1885800 -40.86 14.4302 -11.4586 14.4302 28.6344 -52.3406 -11.4586 -52.3406 20.0549 GPRESSAVG: 1885800 -41.0165 14.914 -11.9886 13.1961 29.1543 -52.8821 -12.5738 -52.1812 19.6741 TIMING: 1885800 CPU: 5892.49, 0.00311826/step Wall: 5892.49, 0.00311826/step, 2.69746 hours remaining, 235.285156 MB of memory in use. ENERGY: 1885800 3987.2677 20526.1369 14351.0830 239.4839 -203270.2486 2507.7263 0.0000 0.0000 52211.9571 -109446.5936 300.0628 -161658.5507 -109085.8877 298.9434 -203.4398 -171.7130 762427.1651 2.6097 2.6040 PRESSURE: 1886000 184.029 -38.5797 123.643 -38.5794 329.523 5.60861 123.645 5.60834 184.013 GPRESSURE: 1886000 151.45 49.5786 64.6702 -145.272 339.056 29.8222 149.32 -11.2045 284.758 PRESSAVG: 1886000 -65.4996 -26.9057 -2.30713 -26.9057 69.3208 -39.608 -2.30715 -39.608 -3.14282 GPRESSAVG: 1886000 -64.4872 -27.5746 -4.09739 -25.0166 68.4949 -41.3603 0.223891 -39.6849 -3.45552 TIMING: 1886000 CPU: 5893.11, 0.0031214/step Wall: 5893.11, 0.0031214/step, 2.70001 hours remaining, 235.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1886000 3990.5360 20566.9094 14483.5494 248.0469 -203347.0416 2924.9404 0.0000 0.0000 51812.6804 -109320.3791 297.7682 -161133.0595 -108955.1568 299.0830 232.5221 258.4214 762708.5235 0.2261 0.1840 PRESSURE: 1886200 61.9109 127.905 -109.922 127.905 119.162 -28.1911 -109.922 -28.1916 272.935 GPRESSURE: 1886200 126.489 -74.7466 -117.975 198.18 133.753 -69.2087 -3.46547 -220.566 284.469 PRESSAVG: 1886200 -51.4091 -6.1646 9.3599 -6.16459 33.898 -9.40831 9.35988 -9.40839 0.620617 GPRESSAVG: 1886200 -52.8078 -5.92816 9.44823 -5.61173 34.5491 -9.12012 9.11607 -8.17455 1.32019 TIMING: 1886200 CPU: 5893.74, 0.00312208/step Wall: 5893.74, 0.00312208/step, 2.70043 hours remaining, 235.285156 MB of memory in use. ENERGY: 1886200 4009.9546 20474.2274 14473.8194 255.5715 -202987.9266 2628.9732 0.0000 0.0000 51712.2363 -109433.1443 297.1909 -161145.3805 -109080.5938 298.6312 151.3360 181.5704 762423.2213 -5.6301 -5.6462 PRESSURE: 1886400 -179.498 -158.134 -6.96811 -158.134 -159.324 -102.737 -6.96834 -102.737 -75.5837 GPRESSURE: 1886400 -141.979 -145.959 41.6046 -185.319 -210.234 -173.345 -73.7985 -137.231 5.23491 PRESSAVG: 1886400 -66.2712 -35.9687 14.2198 -35.9686 77.3232 -14.7025 14.2198 -14.7026 14.6481 GPRESSAVG: 1886400 -64.6009 -36.8998 16.3859 -35.5532 77.6039 -15.3689 13.3923 -15.368 13.3726 TIMING: 1886400 CPU: 5894.37, 0.00314268/step Wall: 5894.37, 0.00314268/step, 2.71807 hours remaining, 235.285156 MB of memory in use. ENERGY: 1886400 4034.0870 20509.5412 14477.9197 234.1786 -203262.7664 2839.4645 0.0000 0.0000 51708.5415 -109459.0339 297.1697 -161167.5754 -109109.9820 298.5304 -138.1352 -115.6594 763084.9228 8.5667 8.7919 PRESSURE: 1886600 -227.211 24.3222 -225.516 24.3221 232.15 -194.729 -225.516 -194.728 50.1419 GPRESSURE: 1886600 -158.571 -82.8311 -278.212 -104.541 168.685 -220.84 -179.32 -170.108 107.818 PRESSAVG: 1886600 -44.6597 -5.818 -27.9235 -5.81806 39.6071 -19.3859 -27.9236 -19.3859 -3.25064 GPRESSAVG: 1886600 -44.9621 -6.37161 -28.6817 -7.1432 38.2542 -17.6327 -29.2739 -21.6644 -1.88702 TIMING: 1886600 CPU: 5895, 0.00314722/step Wall: 5895, 0.00314722/step, 2.72182 hours remaining, 235.285156 MB of memory in use. ENERGY: 1886600 3949.5519 20492.0600 14426.9477 222.3977 -202970.0965 2677.9384 0.0000 0.0000 51782.6525 -109418.5484 297.5956 -161201.2009 -109063.8517 298.7763 18.3603 39.3108 762902.9610 -2.7677 -2.8650 PRESSURE: 1886800 137.368 33.5603 -57.0727 33.5606 -87.3638 229.353 -57.0725 229.352 -335.033 GPRESSURE: 1886800 132.815 143.344 -72.677 -4.05333 -42.969 258.832 -146.626 213.077 -272.559 PRESSAVG: 1886800 -11.8017 3.46773 -30.7329 3.46785 11.3229 -59.599 -30.7328 -59.5991 -14.4842 GPRESSAVG: 1886800 -11.6796 5.92752 -31.5198 2.93564 11.1723 -61.6241 -29.8512 -59.2172 -14.152 TIMING: 1886800 CPU: 5895.62, 0.0031355/step Wall: 5895.62, 0.0031355/step, 2.71151 hours remaining, 235.285156 MB of memory in use. ENERGY: 1886800 3970.7124 20547.2679 14408.1443 252.8362 -202712.5304 2443.8899 0.0000 0.0000 51524.7742 -109564.9055 296.1136 -161089.6798 -109204.0737 298.2429 -95.0095 -60.9040 763668.6675 -4.9877 -4.8864 PRESSURE: 1887000 -269.492 -60.632 -77.5561 -60.6321 58.068 -40.2684 -77.5557 -40.2691 -243.255 GPRESSURE: 1887000 -264.583 42.5512 -11.5021 158.095 125.477 -76.1683 47.3825 -105.883 -242.715 PRESSAVG: 1887000 -12.5381 -3.21857 17.4526 -3.21858 14.8915 6.28118 17.4526 6.28117 0.502959 GPRESSAVG: 1887000 -13.0351 -3.90121 20.0208 -3.78331 17.1242 6.69232 17.3707 8.20228 -0.888049 TIMING: 1887000 CPU: 5896.25, 0.00313347/step Wall: 5896.25, 0.00313347/step, 2.70958 hours remaining, 235.285156 MB of memory in use. ENERGY: 1887000 3964.9273 20457.5959 14409.8217 256.5925 -203388.8697 2698.7910 0.0000 0.0000 52001.0371 -109600.1042 298.8507 -161601.1414 -109243.0988 297.9488 -151.5597 -127.2740 762006.6820 0.9521 1.0670 PRESSURE: 1887200 270.739 -26.0475 102.324 -26.0465 -417.766 105.7 102.324 105.7 171.244 GPRESSURE: 1887200 303.696 3.62109 114.47 -162.556 -353.462 32.335 45.0357 70.3133 159.911 PRESSAVG: 1887200 -21.6707 -56.165 -22.2223 -56.165 40.9485 -14.3626 -22.2223 -14.3625 -8.48029 GPRESSAVG: 1887200 -21.7434 -55.2425 -22.8761 -55.9179 40.5359 -11.5591 -22.1693 -15.5737 -8.32211 TIMING: 1887200 CPU: 5896.88, 0.00312242/step Wall: 5896.88, 0.00312242/step, 2.69986 hours remaining, 235.285156 MB of memory in use. ENERGY: 1887200 4044.3962 20470.1008 14402.9197 256.4397 -202996.4664 2601.6778 0.0000 0.0000 51817.0449 -109403.8872 297.7933 -161220.9321 -109042.0246 298.4647 8.0726 36.7148 761426.3311 3.5992 3.4901 PRESSURE: 1887400 -368.156 60.2252 -82.0273 60.2243 478.111 14.6989 -82.0277 14.6988 -192.943 GPRESSURE: 1887400 -386.081 -21.7276 -74.6708 87.6907 599.434 27.8977 -56.1168 -89.5985 -194.532 PRESSAVG: 1887400 -21.6481 -51.8097 13.813 -51.8097 39.5475 -9.71471 13.813 -9.71463 3.83839 GPRESSAVG: 1887400 -21.4495 -53.4303 12.2237 -50.2339 39.8844 -13.8307 13.9297 -8.12847 4.25442 TIMING: 1887400 CPU: 5897.5, 0.00313716/step Wall: 5897.5, 0.00313716/step, 2.71242 hours remaining, 235.285156 MB of memory in use. ENERGY: 1887400 4038.2090 20561.4145 14408.6839 239.4446 -203165.7341 2597.4404 0.0000 0.0000 51665.6226 -109654.9190 296.9230 -161320.5416 -109298.3673 298.5967 -27.6630 6.2736 760789.6548 7.2459 7.5631 PRESSURE: 1887600 197.305 -115.621 -43.3262 -115.62 -273.482 -75.2176 -43.3261 -75.2175 512.753 GPRESSURE: 1887600 267.291 -93.2916 -107.748 -133.319 -224.283 -160.362 -60.3531 -89.0558 477.318 PRESSAVG: 1887600 -15.7381 -8.15303 -25.173 -8.15304 46.7211 -26.3854 -25.173 -26.3855 8.94142 GPRESSAVG: 1887600 -15.3298 -5.524 -26.4591 -12.1076 45.8745 -23.3971 -24.1918 -28.5876 9.7808 TIMING: 1887600 CPU: 5898.13, 0.00313707/step Wall: 5898.13, 0.00313707/step, 2.71217 hours remaining, 235.285156 MB of memory in use. ENERGY: 1887600 3937.2026 20500.9662 14420.0487 248.9172 -203264.6788 2390.3351 0.0000 0.0000 52070.5868 -109696.6221 299.2504 -161767.2090 -109339.7728 297.9519 145.5255 173.4420 761072.2922 13.3082 13.4418 PRESSURE: 1887800 -49.0946 -4.92749 -92.3081 -4.92772 -59.9665 5.5083 -92.3081 5.50755 -251.764 GPRESSURE: 1887800 -110.14 -64.963 -104.842 -25.3543 -41.1316 32.0784 -169.029 6.63848 -145.484 PRESSAVG: 1887800 -34.7751 -15.9232 41.4813 -15.9232 12.2286 3.86628 41.4812 3.86627 -4.37289 GPRESSAVG: 1887800 -36.2452 -18.2407 43.8256 -12.585 13.2727 2.90589 39.1411 4.97487 -4.08231 TIMING: 1887800 CPU: 5898.76, 0.00312469/step Wall: 5898.76, 0.00312469/step, 2.7013 hours remaining, 235.285156 MB of memory in use. ENERGY: 1887800 4007.7630 20509.1625 14470.2364 247.8741 -203072.7665 2472.8905 0.0000 0.0000 51754.5302 -109610.3097 297.4340 -161364.8399 -109265.6812 297.8898 -120.2750 -98.9186 761531.0626 -8.9731 -9.0183 PRESSURE: 1888000 -98.6476 79.4285 -61.4792 79.4286 -14.7143 18.5232 -61.4796 18.5236 -63.5495 GPRESSURE: 1888000 -53.5258 88.8109 -189.391 149.181 -4.42597 -99.5079 60.3747 15.2752 -35.8016 PRESSAVG: 1888000 -15.9796 6.98278 12.459 6.9828 18.8756 -6.70121 12.459 -6.70119 0.577074 GPRESSAVG: 1888000 -14.7117 8.15742 11.7806 5.98081 17.6395 -5.31738 13.0732 -8.45541 0.713479 TIMING: 1888000 CPU: 5899.38, 0.00313885/step Wall: 5899.38, 0.00313885/step, 2.71336 hours remaining, 235.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1888000 3965.9522 20381.2007 14429.4452 252.4147 -203181.5488 2724.1999 0.0000 0.0000 52130.4733 -109297.8628 299.5945 -161428.3361 -108933.6053 298.8631 -58.9705 -31.2511 761230.5239 1.1577 1.2138 PRESSURE: 1888200 30.0782 -90.9827 166.445 -90.9824 164.866 47.0705 166.445 47.072 175.774 GPRESSURE: 1888200 105.612 -42.9864 132.203 -51.2124 203.773 142.554 249.28 60.3197 139.973 PRESSAVG: 1888200 48.2914 30.5164 46.9867 30.5164 -17.0887 50.0161 46.9867 50.0161 -19.0962 GPRESSAVG: 1888200 47.8905 29.8075 46.166 31.6191 -16.8471 49.4182 48.0264 50.443 -18.8036 TIMING: 1888200 CPU: 5900.01, 0.00313418/step Wall: 5900.01, 0.00313418/step, 2.70915 hours remaining, 235.285156 MB of memory in use. ENERGY: 1888200 4032.3113 20485.7442 14426.8786 262.4892 -203311.7854 2783.5522 0.0000 0.0000 52036.3574 -109284.4527 299.0537 -161320.8100 -108923.0479 299.5933 123.5730 149.7859 763610.9225 4.0355 4.0800 LDB: ============= START OF LOAD BALANCING ============== 5912.49 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5912.49 LDB: =============== DONE WITH MIGRATION ================ 5912.49 LDB: ============= START OF LOAD BALANCING ============== 5912.81 LDB: Largest compute 6998 load 0.030552 is 15.7% of average load 0.194957 LDB: Average compute 0.004426 is 2.3% of average load 0.194957 LDB: TIME 5912.81 LOAD: AVG 0.194957 MAX 0.214852 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.742 MB LDB: TIME 5912.81 LOAD: AVG 0.194957 MAX 0.214852 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.742 MB LDB: TIME 5912.81 LOAD: AVG 0.194957 MAX 0.214852 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.742 MB LDB: ============== END OF LOAD BALANCING =============== 5912.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5912.82 PRESSURE: 1888400 -54.2938 -70.2585 45.7753 -70.2583 -8.66093 106.096 45.7759 106.095 -113.618 GPRESSURE: 1888400 -18.9862 40.8496 69.4462 -18.5499 -51.1253 94.5024 82.424 164.763 -39.2322 PRESSAVG: 1888400 -43.3792 -13.2792 13.3067 -13.2793 34.8682 -3.13358 13.3067 -3.13355 -17.099 GPRESSAVG: 1888400 -41.3059 -13.4841 12.9451 -14.1899 34.838 -4.55272 12.3472 -2.58222 -19.0421 TIMING: 1888400 CPU: 5900.65, 0.00321562/step Wall: 5900.65, 0.00321562/step, 2.77936 hours remaining, 236.621094 MB of memory in use. ENERGY: 1888400 3920.1247 20425.5615 14399.5192 263.1205 -202863.1341 2685.3459 0.0000 0.0000 51965.7114 -109203.7509 298.6477 -161169.4623 -108845.3643 298.8949 -58.8577 -36.4479 763498.0499 -8.5367 -8.5033 PRESSURE: 1888600 -361.669 46.5375 173.554 46.5379 327.133 13.3798 173.555 13.3801 551.48 GPRESSURE: 1888600 -237.252 -50.7657 155.772 -61.2552 301.107 63.019 153.024 30.6595 552.432 PRESSAVG: 1888600 5.97175 7.51083 73.3311 7.51084 6.51919 -4.94566 73.3311 -4.94566 -7.66992 GPRESSAVG: 1888600 4.13246 7.4524 74.1292 8.28977 6.05613 -4.83472 73.6599 -2.85093 -5.83548 TIMING: 1888600 CPU: 5901.28, 0.00313504/step Wall: 5901.28, 0.00313504/step, 2.70954 hours remaining, 236.691406 MB of memory in use. ENERGY: 1888600 3931.2698 20574.9547 14450.8077 248.8621 -203008.2450 2790.0980 0.0000 0.0000 51918.9680 -109093.2848 298.3790 -161012.2528 -108739.6049 299.2182 172.3145 205.4291 763367.8598 1.6070 1.4510 PRESSURE: 1888800 -55.7797 376.993 95.3154 376.993 -29.0299 137.323 95.3155 137.322 -5.07573 GPRESSURE: 1888800 -28.2526 302.744 121.086 437.165 61.1156 135.209 -83.0585 134.654 -35.9776 PRESSAVG: 1888800 0.495636 14.6244 38.5692 14.6244 -7.53986 -29.5689 38.5692 -29.5689 -14.3883 GPRESSAVG: 1888800 -0.180072 13.3422 38.1557 15.1562 -6.02313 -28.7737 37.3458 -31.5128 -14.8581 TIMING: 1888800 CPU: 5901.91, 0.00314093/step Wall: 5901.91, 0.00314093/step, 2.71446 hours remaining, 236.691406 MB of memory in use. ENERGY: 1888800 3972.7068 20302.1522 14416.6902 246.7955 -203027.8738 2763.6060 0.0000 0.0000 52082.0982 -109243.8250 299.3165 -161325.9232 -108871.8884 298.5411 -29.9618 -1.0382 763953.2926 -7.1442 -7.0204 PRESSURE: 1889000 29.4305 -344.391 -39.6439 -344.391 -134.814 -134.485 -39.6443 -134.484 -328.033 GPRESSURE: 1889000 89.9972 -236.678 66.7673 -349.936 -102.819 -124.504 -90.4245 5.96113 -325.672 PRESSAVG: 1889000 -40.7042 -24.5911 24.3091 -24.5912 60.5029 23.7656 24.3091 23.7656 18.7091 GPRESSAVG: 1889000 -39.3057 -25.2252 24.9001 -23.3947 60.1341 25.2823 24.8835 24.7525 17.8293 TIMING: 1889000 CPU: 5902.54, 0.00314931/step Wall: 5902.54, 0.00314931/step, 2.72153 hours remaining, 236.691406 MB of memory in use. ENERGY: 1889000 3904.3915 20501.5786 14483.8307 243.3250 -203138.8959 2614.3394 0.0000 0.0000 52143.1534 -109248.2772 299.6674 -161391.4306 -108881.6995 298.8635 -144.4721 -112.8312 761496.4538 12.8359 12.8859 PRESSURE: 1889200 -167.418 -19.2972 -110.28 -19.2975 292.655 -78.3199 -110.281 -78.3202 102.514 GPRESSURE: 1889200 -4.46929 -88.2458 -171.933 -115.521 228.876 -60.633 -148.899 -89.9113 92.8501 PRESSAVG: 1889200 -69.5162 -19.454 -29.5138 -19.4539 38.1853 8.6675 -29.5139 8.66744 13.5793 GPRESSAVG: 1889200 -69.1024 -17.5684 -28.9154 -19.1899 37.2528 7.54917 -30.0929 9.43669 13.6487 TIMING: 1889200 CPU: 5903.17, 0.00315028/step Wall: 5903.17, 0.00315028/step, 2.72219 hours remaining, 236.691406 MB of memory in use. ENERGY: 1889200 3888.4113 20390.3376 14403.1696 235.4116 -202564.8174 2405.0485 0.0000 0.0000 51839.3015 -109403.1372 297.9212 -161242.4387 -109033.3248 299.1669 75.9167 105.7523 764063.7331 -5.9172 -6.0669 PRESSURE: 1889400 -209.404 -206.014 -77.1218 -206.014 417.86 312.648 -77.1232 312.647 -214.446 GPRESSURE: 1889400 -85.2577 -216.612 -21.9432 -167.108 353.393 221.23 -95.3927 256.166 -186.577 PRESSAVG: 1889400 -16.883 -12.9358 3.28759 -12.9358 42.5898 71.3272 3.28757 71.3273 -2.64222 GPRESSAVG: 1889400 -18.1916 -12.916 3.81752 -14.6549 42.7076 73.0561 2.63139 70.8567 -1.77815 TIMING: 1889400 CPU: 5903.8, 0.0031603/step Wall: 5903.8, 0.0031603/step, 2.73068 hours remaining, 236.691406 MB of memory in use. ENERGY: 1889400 3984.0580 20411.9456 14393.2439 244.9516 -202757.0995 2473.7531 0.0000 0.0000 51880.5818 -109368.5655 298.1584 -161249.1472 -109001.1683 298.7576 -1.9967 27.1859 763569.5799 7.6882 7.5793 PRESSURE: 1889600 -119.04 6.02081 -4.74068 6.02191 -421.466 188.643 -4.74081 188.642 -290.165 GPRESSURE: 1889600 -102.367 20.5813 -113.009 74.2733 -415.405 195.691 33.2359 165.709 -239.902 PRESSAVG: 1889600 -28.4548 3.79557 32.0938 3.79556 -4.59555 24.2938 32.0938 24.2937 -10.0678 GPRESSAVG: 1889600 -28.3727 1.81119 30.3096 2.61117 -4.33567 23.7829 34.2614 22.4252 -10.4558 TIMING: 1889600 CPU: 5904.43, 0.00314663/step Wall: 5904.43, 0.00314663/step, 2.71869 hours remaining, 236.691406 MB of memory in use. ENERGY: 1889600 4059.2378 20567.3663 14444.4124 249.4238 -203261.5754 2515.2912 0.0000 0.0000 51889.6926 -109536.1514 298.2108 -161425.8440 -109182.0085 298.6713 -276.8906 -252.5580 762219.8120 -14.3727 -14.3881 PRESSURE: 1889800 -268.88 115.177 109.89 115.178 -220.205 105.601 109.891 105.602 64.7865 GPRESSURE: 1889800 -201.656 116.073 54.3245 114.551 -170.332 100.859 87.7432 141.865 31.7675 PRESSAVG: 1889800 -16.314 -22.9354 38.3424 -22.9354 26.3588 -5.54515 38.3424 -5.5451 9.15793 GPRESSAVG: 1889800 -14.971 -20.3766 39.0862 -21.1388 25.9052 -6.72079 38.1907 -3.50774 8.18198 TIMING: 1889800 CPU: 5905.06, 0.00314568/step Wall: 5905.06, 0.00314568/step, 2.71769 hours remaining, 236.691406 MB of memory in use. ENERGY: 1889800 3997.6882 20584.8416 14519.8191 250.5770 -203514.6117 2661.0301 0.0000 0.0000 51781.2183 -109719.4373 297.5874 -161500.6556 -109361.2114 298.6392 -141.4329 -113.4069 761268.3589 6.4009 6.3721 PRESSURE: 1890000 206.756 -33.3915 -73.9982 -33.3921 -85.1355 -46.9369 -73.9994 -46.9374 23.862 GPRESSURE: 1890000 210.028 -82.9209 -64.0924 -41.4355 -10.3557 -25.4473 -116.924 -97.5862 27.1003 PRESSAVG: 1890000 9.11164 -9.05438 55.715 -9.05441 17.1101 -1.99848 55.7149 -1.99848 -5.42826 GPRESSAVG: 1890000 7.43158 -10.629 55.8016 -9.46353 17.8561 -2.00095 55.4597 -1.58002 -4.42811 TIMING: 1890000 CPU: 5905.69, 0.00314032/step Wall: 5905.69, 0.00314032/step, 2.71289 hours remaining, 236.691406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1890000 3990.3979 20509.1906 14506.0670 227.4296 -203213.8294 2562.1492 0.0000 0.0000 51848.2659 -109570.3293 297.9727 -161418.5951 -109223.1786 298.5315 48.4940 75.5910 760332.6178 6.9312 6.9532 PRESSURE: 1890200 -19.0713 -199.149 128.13 -199.149 -67.7517 -48.9471 128.129 -48.9475 88.0349 GPRESSURE: 1890200 -97.2702 -145.325 203.672 -85.0506 118.781 74.3865 187.295 -43.9107 55.1852 PRESSAVG: 1890200 -12.2189 -8.78778 5.90896 -8.78781 -25.3632 19.0378 5.90893 19.0378 20.872 GPRESSAVG: 1890200 -12.8253 -9.30125 5.78902 -7.63792 -25.3429 18.1131 7.04059 18.9249 21.2088 TIMING: 1890200 CPU: 5906.31, 0.00314029/step Wall: 5906.31, 0.00314029/step, 2.71269 hours remaining, 236.691406 MB of memory in use. ENERGY: 1890200 3948.8295 20492.7620 14387.7971 253.1817 -203356.0586 2731.1299 0.0000 0.0000 51825.9718 -109716.3865 297.8446 -161542.3583 -109356.0384 298.4076 0.4039 25.5653 761166.9542 -5.5700 -5.6532 PRESSURE: 1890400 94.4001 -28.6965 66.8185 -28.6955 -192.348 68.3541 66.8187 68.3545 -521.736 GPRESSURE: 1890400 67.4346 73.3121 0.302878 -43.8294 -105.589 10.3888 59.0438 1.96364 -498.708 PRESSAVG: 1890400 -9.37934 2.18565 17.2446 2.18562 -9.89729 -22.1186 17.2446 -22.1185 5.39928 GPRESSAVG: 1890400 -9.74422 2.17258 16.8599 0.557707 -9.1768 -19.2866 16.6326 -23.9628 5.26863 TIMING: 1890400 CPU: 5906.94, 0.00313722/step Wall: 5906.94, 0.00313722/step, 2.70986 hours remaining, 236.691406 MB of memory in use. ENERGY: 1890400 4002.7573 20279.7059 14496.6805 259.2615 -203411.4870 2689.3345 0.0000 0.0000 51848.1812 -109835.5660 297.9722 -161683.7472 -109473.8879 297.7364 -206.5614 -178.9541 760479.5122 -4.6258 -4.5508 PRESSURE: 1890600 -119.846 199.682 56.127 199.682 256.809 -62.0473 56.1262 -62.0485 214.126 GPRESSURE: 1890600 -58.2193 34.1187 0.985745 165.057 250.754 -107.492 30.1016 -20.6191 250.188 PRESSAVG: 1890600 -79.9123 13.5773 2.24401 13.5773 39.9709 -2.94495 2.24397 -2.94493 19.3741 GPRESSAVG: 1890600 -79.5936 13.4882 2.20131 13.2744 39.3961 -3.73895 1.93087 -2.84425 19.6823 TIMING: 1890600 CPU: 5907.56, 0.00311423/step Wall: 5907.56, 0.00311423/step, 2.68983 hours remaining, 236.691406 MB of memory in use. ENERGY: 1890600 3913.1218 20486.6928 14385.7698 245.2113 -203160.1089 2586.8970 0.0000 0.0000 51567.8235 -109974.5927 296.3610 -161542.4162 -109619.3528 297.6024 117.0294 147.5742 761650.4562 -6.8557 -6.8384 PRESSURE: 1890800 -231.235 -279.65 153.727 -279.65 128.779 -86.0483 153.727 -86.0494 -428.009 GPRESSURE: 1890800 -213.239 -330.648 154.605 -229.644 104.608 -164.846 122.854 -52.9139 -330.199 PRESSAVG: 1890800 8.26617 30.9576 -40.0982 30.9575 11.4 -8.6466 -40.0983 -8.6466 -9.57192 GPRESSAVG: 1890800 7.52359 30.9092 -40.113 32.2043 12.1077 -9.62636 -40.6879 -7.52892 -8.76292 TIMING: 1890800 CPU: 5908.19, 0.00312651/step Wall: 5908.19, 0.00312651/step, 2.70026 hours remaining, 236.691406 MB of memory in use. ENERGY: 1890800 3921.2321 20350.3967 14448.5416 232.4303 -203449.6813 2618.3380 0.0000 0.0000 51685.6370 -110193.1056 297.0381 -161878.7426 -109826.5721 297.3905 -176.8219 -146.2765 761150.7947 3.3648 3.6228 PRESSURE: 1891000 -163.372 213.507 47.5901 213.508 -262.707 -111.709 47.5919 -111.71 251.208 GPRESSURE: 1891000 -117.243 227.619 -35.4808 166.788 -221.705 -76.0359 99.81 -10.9683 244.161 PRESSAVG: 1891000 -9.81415 -10.4721 -14.0139 -10.4722 -19.6781 49.3254 -14.0138 49.3254 6.52711 GPRESSAVG: 1891000 -7.98173 -9.82275 -14.1337 -11.59 -20.6971 50.096 -15.0833 50.084 5.75924 TIMING: 1891000 CPU: 5908.82, 0.00312814/step Wall: 5908.82, 0.00312814/step, 2.7015 hours remaining, 236.691406 MB of memory in use. ENERGY: 1891000 3986.7531 20417.5207 14407.6599 238.9647 -203444.9677 2752.9223 0.0000 0.0000 51698.4719 -109942.6751 297.1118 -161641.1470 -109581.5467 297.1520 -58.2901 -31.5956 760902.4361 -7.6551 -7.6399 PRESSURE: 1891200 -9.77401 4.76321 -25.261 4.76279 453.882 -175.967 -25.2604 -175.968 -113.172 GPRESSURE: 1891200 -17.256 -10.1306 -66.0326 37.7292 510.248 -152.053 17.4813 -212.76 -84.4235 PRESSAVG: 1891200 -37.3482 -13.7111 10.4136 -13.7111 17.5417 -23.4659 10.4136 -23.4659 0.980322 GPRESSAVG: 1891200 -37.1314 -12.868 11.0377 -15.0358 16.9239 -23.009 11.477 -24.7312 1.26375 TIMING: 1891200 CPU: 5909.44, 0.00314212/step Wall: 5909.44, 0.00314212/step, 2.71339 hours remaining, 236.691406 MB of memory in use. ENERGY: 1891200 3931.5028 20530.5391 14398.0506 260.7312 -203993.7468 2905.0322 0.0000 0.0000 51956.5900 -110011.3009 298.5952 -161967.8910 -109644.0069 298.0028 110.3120 136.1897 761615.7504 -6.2754 -6.3146 PRESSURE: 1891400 234.833 188.791 58.0421 188.791 -120.542 81.2566 58.0419 81.2565 143.465 GPRESSURE: 1891400 184.34 141.649 84.2518 188.638 5.89376 99.6602 -6.02487 109.579 148.599 PRESSAVG: 1891400 -27.7873 -3.46152 -24.7222 -3.46151 34.0531 2.53369 -24.7222 2.53373 8.06781 GPRESSAVG: 1891400 -28.4449 -5.69127 -24.2068 -1.65044 34.9591 2.82756 -25.1489 3.37415 8.04154 TIMING: 1891400 CPU: 5910.07, 0.00314661/step Wall: 5910.07, 0.00314661/step, 2.7171 hours remaining, 236.691406 MB of memory in use. ENERGY: 1891400 3954.4802 20319.0209 14527.6929 246.8600 -203944.9180 2885.9791 0.0000 0.0000 52069.9879 -109940.8968 299.2469 -162010.8847 -109585.0422 297.9060 85.9187 112.9443 762820.9856 4.7779 4.8519 PRESSURE: 1891600 279.399 -63.899 25.7662 -63.8997 62.9868 -13.0348 25.7668 -13.0346 326.507 GPRESSURE: 1891600 274.035 -153.55 81.4294 -1.70211 139.641 -52.3864 84.3589 -81.1726 341.517 PRESSAVG: 1891600 -38.2851 -45.1179 -15.4447 -45.1179 69.4582 25.1689 -15.4448 25.169 -6.17839 GPRESSAVG: 1891600 -37.5026 -44.2967 -16.5521 -44.7916 69.0037 22.6548 -15.2902 25.6919 -5.98859 TIMING: 1891600 CPU: 5910.7, 0.00313009/step Wall: 5910.7, 0.00313009/step, 2.70266 hours remaining, 236.691406 MB of memory in use. ENERGY: 1891600 3961.7248 20363.8445 14397.3395 246.3515 -203764.7300 2854.8643 0.0000 0.0000 52140.3905 -109800.2149 299.6515 -161940.6054 -109440.4580 298.2270 222.9643 251.7312 760835.8970 8.3316 8.5042 PRESSURE: 1891800 438.123 -169.322 -104.077 -169.323 -255.065 42.7984 -104.077 42.7977 168.993 GPRESSURE: 1891800 481.218 -42.1792 -96.1562 -122.862 -126.115 -82.0523 -206.999 64.3619 86.7343 PRESSAVG: 1891800 21.9869 -32.0537 25.9147 -32.0536 -14.7194 -3.52612 25.9146 -3.52618 17.2541 GPRESSAVG: 1891800 20.8662 -31.4632 25.1029 -33.3018 -14.1821 -1.36631 23.7241 -4.55889 17.7467 TIMING: 1891800 CPU: 5911.33, 0.00312897/step Wall: 5911.33, 0.00312897/step, 2.70152 hours remaining, 236.691406 MB of memory in use. ENERGY: 1891800 3972.3736 20413.0206 14395.8820 250.9346 -203344.0538 2805.4448 0.0000 0.0000 51825.2197 -109681.1786 297.8402 -161506.3983 -109321.5528 298.1019 117.3506 147.2789 762822.6464 8.1738 8.1436 PRESSURE: 1892000 -13.5396 -238.067 237.413 -238.068 76.1522 -75.9225 237.414 -75.9231 387.26 GPRESSURE: 1892000 57.3379 -177.997 237.434 -162.118 102.261 6.72279 152.415 11.6901 372.514 PRESSAVG: 1892000 4.91799 9.15068 78.3036 9.15067 -14.4329 17.8516 78.3036 17.8517 2.6261 GPRESSAVG: 1892000 4.4609 7.28169 79.1677 10.5687 -13.7634 16.7351 80.4024 19.6682 3.07271 TIMING: 1892000 CPU: 5911.95, 0.00312713/step Wall: 5911.95, 0.00312713/step, 2.69976 hours remaining, 236.691406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1892000 4015.8777 20404.5585 14526.7010 249.1318 -203785.1593 3068.8387 0.0000 0.0000 51891.4304 -109628.6212 298.2208 -161520.0516 -109268.8809 297.7319 149.9577 177.3709 762352.7182 -2.2963 -2.0766 PRESSURE: 1892200 379.449 57.9101 290.214 57.909 200.442 276.871 290.214 276.871 147.896 GPRESSURE: 1892200 399.373 33.9096 248.028 26.2851 203.141 230.433 272.622 163.589 202.314 PRESSAVG: 1892200 17.1322 20.8594 41.553 20.8594 23.5093 -23.6248 41.553 -23.6248 2.09429 GPRESSAVG: 1892200 17.6908 21.5585 42.1399 22.3335 23.2812 -22.7775 41.9967 -26.012 2.32654 TIMING: 1892200 CPU: 5912.58, 0.00314153/step Wall: 5912.58, 0.00314153/step, 2.71202 hours remaining, 236.691406 MB of memory in use. ENERGY: 1892200 3997.8746 20391.0869 14448.3909 231.3880 -203031.4456 2554.7958 0.0000 0.0000 51654.7537 -109753.1557 296.8606 -161407.9093 -109397.0812 297.6551 242.5956 268.2761 762421.6838 14.2452 14.4329 LDB: ============= START OF LOAD BALANCING ============== 5925.06 LDB: ============== END OF LOAD BALANCING =============== 5925.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5925.06 LDB: ============= START OF LOAD BALANCING ============== 5925.38 LDB: Largest compute 6972 load 0.031333 is 16.1% of average load 0.195003 LDB: Average compute 0.004410 is 2.3% of average load 0.195003 LDB: TIME 5925.38 LOAD: AVG 0.195003 MAX 0.215793 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.27 MB LDB: TIME 5925.38 LOAD: AVG 0.195003 MAX 0.215793 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.477 MB LDB: TIME 5925.38 LOAD: AVG 0.195003 MAX 0.215793 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.477 MB LDB: ============== END OF LOAD BALANCING =============== 5925.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5925.39 PRESSURE: 1892400 -285.708 -69.889 -31.1016 -69.8901 -290.048 -5.80055 -31.1018 -5.80045 -27.6586 GPRESSURE: 1892400 -210.042 -44.0092 60.0859 -93.7509 -306.741 25.5193 -16.0038 -80.427 -19.3781 PRESSAVG: 1892400 68.5176 -43.5344 16.3272 -43.5344 -69.5595 -38.2542 16.3271 -38.2541 -8.88971 GPRESSAVG: 1892400 68.4308 -42.3597 15.3333 -47.3093 -69.9104 -38.8041 15.7408 -37.3564 -8.35783 TIMING: 1892400 CPU: 5913.22, 0.00322196/step Wall: 5913.22, 0.00322196/step, 2.78126 hours remaining, 234.246094 MB of memory in use. ENERGY: 1892400 3962.4440 20528.3777 14477.3098 259.7326 -203385.0616 2577.0343 0.0000 0.0000 51883.1727 -109696.9906 298.1733 -161580.1633 -109326.7039 297.7866 -201.1380 -178.7204 763092.4446 -3.3105 -3.2792 PRESSURE: 1892600 189.707 -77.6676 -73.2895 -77.6664 -3.7443 111.599 -73.2892 111.599 -132.096 GPRESSURE: 1892600 240.675 -161.894 -65.0497 -91.7942 6.07462 95.5048 -14.6372 82.9678 -129.771 PRESSAVG: 1892600 40.4511 -28.7231 15.7721 -28.7231 -19.7945 -1.38168 15.772 -1.38174 22.964 GPRESSAVG: 1892600 40.0227 -28.6963 16.6236 -28.8414 -19.3875 -1.23542 15.8115 -2.05233 22.6097 TIMING: 1892600 CPU: 5913.85, 0.00314213/step Wall: 5913.85, 0.00314213/step, 2.71218 hours remaining, 234.246094 MB of memory in use. ENERGY: 1892600 3917.5694 20446.7237 14441.7291 243.5655 -203552.0944 2843.8910 0.0000 0.0000 52029.2983 -109629.3174 299.0131 -161658.6157 -109269.1088 298.4629 17.9559 38.9926 763413.2194 14.5402 14.4150 PRESSURE: 1892800 24.1481 -38.1407 369.631 -38.1406 -165.42 -260.009 369.631 -260.008 -118.72 GPRESSURE: 1892800 120.28 -59.1786 277.032 -52.6448 -278.64 -213.96 223.886 -199.786 -29.4126 PRESSAVG: 1892800 38.6505 7.10092 25.1808 7.10093 33.9476 8.53138 25.1808 8.53131 -3.24504 GPRESSAVG: 1892800 39.0293 7.57129 25.9269 7.00708 33.1092 9.33474 25.1526 10.3151 -3.19966 TIMING: 1892800 CPU: 5914.48, 0.00312407/step Wall: 5914.48, 0.00312407/step, 2.69642 hours remaining, 234.246094 MB of memory in use. ENERGY: 1892800 3927.0405 20486.0910 14461.7863 230.8329 -203293.6317 2603.8485 0.0000 0.0000 52129.9856 -109454.0470 299.5917 -161584.0326 -109087.8231 298.7791 -86.6639 -62.5910 762559.6691 23.1177 22.9796 PRESSURE: 1893000 -70.0649 138.992 240.928 138.992 181.142 -42.4763 240.927 -42.4754 238.694 GPRESSURE: 1893000 -51.6218 145.549 223.496 42.7306 180.894 -38.3729 130.254 0.285554 294.413 PRESSAVG: 1893000 60.131 34.2574 -15.3435 34.2574 -52.0946 -33.2728 -15.3435 -33.2727 14.1196 GPRESSAVG: 1893000 60.1566 33.1385 -15.1268 33.9645 -51.8336 -33.5541 -15.5826 -35.3859 13.9759 TIMING: 1893000 CPU: 5915.1, 0.00312685/step Wall: 5915.1, 0.00312685/step, 2.69865 hours remaining, 234.246094 MB of memory in use. ENERGY: 1893000 4003.3753 20588.8647 14503.6110 249.6526 -203228.5138 2732.4239 0.0000 0.0000 51890.1919 -109260.3944 298.2136 -161150.5863 -108900.2277 299.0933 116.5904 141.2284 762736.7996 7.3854 7.4330 PRESSURE: 1893200 694.757 -195.331 34.7548 -195.332 42.1757 82.9794 34.7541 82.9808 245.007 GPRESSURE: 1893200 683.877 -77.3592 7.70326 -170.34 56.1611 64.0529 -61.3374 -70.4152 303.899 PRESSAVG: 1893200 19.239 -24.8342 -17.8798 -24.8342 -33.3741 -51.9904 -17.8798 -51.9903 -7.17756 GPRESSAVG: 1893200 17.9821 -22.8801 -18.9839 -23.4095 -32.5568 -51.6046 -16.5401 -51.2506 -6.89206 TIMING: 1893200 CPU: 5915.73, 0.00312832/step Wall: 5915.73, 0.00312832/step, 2.69974 hours remaining, 234.246094 MB of memory in use. ENERGY: 1893200 4032.1817 20442.8864 14461.4233 242.7465 -203558.5654 3000.1029 0.0000 0.0000 51931.7431 -109447.4815 298.4524 -161379.2246 -109080.4305 299.1667 327.3134 347.9789 760665.5401 -7.1042 -7.1556 PRESSURE: 1893400 -418.747 -207.496 -78.8479 -207.495 -147.316 211.567 -78.8481 211.567 154.905 GPRESSURE: 1893400 -350.806 -143.974 -20.3553 -162.743 -123.99 198.893 -11.7555 -2.7433 171.306 PRESSAVG: 1893400 -17.1758 3.51065 56.0375 3.51063 47.2054 -15.6843 56.0375 -15.6843 10.7515 GPRESSAVG: 1893400 -15.8669 0.346291 57.3024 4.49442 45.6582 -19.7455 54.7236 -15.2926 11.4263 TIMING: 1893400 CPU: 5916.35, 0.0031243/step Wall: 5916.35, 0.0031243/step, 2.6961 hours remaining, 234.246094 MB of memory in use. ENERGY: 1893400 3958.3056 20564.7473 14532.8209 240.8634 -203284.0364 2595.4679 0.0000 0.0000 52109.9177 -109281.9137 299.4764 -161391.8314 -108925.9052 299.5564 -137.0526 -101.1631 763333.0277 13.5937 13.7392 PRESSURE: 1893600 320.432 2.36597 -93.8759 2.36549 -2.03434 71.42 -93.8754 71.4203 216.604 GPRESSURE: 1893600 306.123 -6.33623 -123.07 36.8986 88.8836 132.743 -170.244 -55.1692 245.459 PRESSAVG: 1893600 35.0853 29.1198 -0.815088 29.1197 -10.0749 -11.7977 -0.815059 -11.7978 -20.8395 GPRESSAVG: 1893600 34.9767 29.1525 -2.01035 28.8023 -8.84039 -10.4996 2.86749 -11.4033 -22.0994 TIMING: 1893600 CPU: 5916.98, 0.0031358/step Wall: 5916.98, 0.0031358/step, 2.70585 hours remaining, 234.246094 MB of memory in use. ENERGY: 1893600 3932.5121 20321.9032 14465.4112 250.1107 -203098.2380 2570.5057 0.0000 0.0000 52092.9112 -109464.8839 299.3787 -161557.7951 -109095.1156 299.4927 178.3338 213.4886 762418.7463 1.3903 1.3456 PRESSURE: 1893800 401.028 4.88492 143.978 4.88528 -169.454 110.341 143.978 110.341 312.8 GPRESSURE: 1893800 370.008 66.094 132.467 101.16 -115.799 79.0013 87.3482 184.436 372.537 PRESSAVG: 1893800 -35.3047 -17.1761 46.6563 -17.1762 21.4003 -46.718 46.6564 -46.7181 -14.7624 GPRESSAVG: 1893800 -36.2815 -14.6607 47.391 -16.0679 21.8929 -45.2686 41.8052 -45.5309 -14.0644 TIMING: 1893800 CPU: 5917.6, 0.00312549/step Wall: 5917.6, 0.00312549/step, 2.69678 hours remaining, 234.246094 MB of memory in use. ENERGY: 1893800 3993.9793 20547.2717 14458.3353 265.9697 -203563.7709 2969.5463 0.0000 0.0000 51893.9985 -109434.6702 298.2355 -161328.6687 -109083.3369 298.9405 181.4580 208.9155 761825.0282 -9.5556 -9.4844 PRESSURE: 1894000 342.776 148.932 192.53 148.931 17.3801 -145.755 192.53 -145.755 471.663 GPRESSURE: 1894000 411.19 154.352 127.464 196.552 -43.6202 -125.962 226.45 -145.715 534.301 PRESSAVG: 1894000 -25.3773 34.0319 -6.47244 34.0319 -2.9805 26.8849 -6.4724 26.8849 -4.98361 GPRESSAVG: 1894000 -24.1913 34.8591 -7.54747 31.4726 -4.6916 27.3452 -4.46042 26.4092 -4.88216 TIMING: 1894000 CPU: 5918.23, 0.0031136/step Wall: 5918.23, 0.0031136/step, 2.68635 hours remaining, 234.246094 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: 1894000 3955.1722 20416.2394 14520.3006 251.8416 -203560.4519 2766.6744 0.0000 0.0000 52153.7645 -109496.4591 299.7284 -161650.2236 -109134.0247 298.9337 277.2731 300.6234 760259.9892 -11.1138 -11.2550 PRESSURE: 1894200 -332.682 58.6318 -254.296 58.6321 -237.487 -159.105 -254.296 -159.106 352.948 GPRESSURE: 1894200 -204.833 94.0775 -215.684 63.3541 -242.18 -188.763 -267.32 -80.7309 289.486 PRESSAVG: 1894200 -21.6166 18.2079 -72.9904 18.2079 0.488458 -20.2296 -72.9904 -20.2296 0.53002 GPRESSAVG: 1894200 -21.9674 15.8661 -70.9808 18.35 1.24895 -22.0447 -75.2771 -18.8116 0.300109 TIMING: 1894200 CPU: 5918.85, 0.00313408/step Wall: 5918.85, 0.00313408/step, 2.70384 hours remaining, 234.246094 MB of memory in use. ENERGY: 1894200 3959.8531 20390.2816 14465.4041 245.3573 -203409.8994 2815.1601 0.0000 0.0000 51992.3210 -109541.5221 298.8006 -161533.8431 -109178.4962 298.2900 -72.4072 -52.5089 763601.0506 -6.8660 -6.8061 PRESSURE: 1894400 85.7475 -194.494 -141.911 -194.495 -19.0553 -47.6865 -141.911 -47.6856 -478.178 GPRESSURE: 1894400 76.6211 -274.922 -146.815 -226.332 -41.7369 -146.73 -114.46 -41.7361 -369.619 PRESSAVG: 1894400 38.3725 -28.4307 56.5489 -28.4306 -37.8188 -20.7292 56.549 -20.7291 -9.45895 GPRESSAVG: 1894400 37.5879 -28.1097 55.1312 -25.9021 -37.5176 -19.431 59.8599 -21.6737 -8.81921 TIMING: 1894400 CPU: 5919.48, 0.00312583/step Wall: 5919.48, 0.00312583/step, 2.69655 hours remaining, 234.246094 MB of memory in use. ENERGY: 1894400 4071.2278 20425.3294 14405.4702 231.2937 -203073.0706 2461.8185 0.0000 0.0000 52012.1718 -109465.7593 298.9147 -161477.9311 -109102.7521 298.9134 -137.1618 -111.5781 764254.8462 -2.9684 -2.9163 PRESSURE: 1894600 -63.2071 106.123 133.436 106.124 -65.1938 -123.719 133.436 -123.718 -268.48 GPRESSURE: 1894600 -77.4786 42.205 148.378 79.3926 64.855 -140.607 90.509 -105.135 -284.479 PRESSAVG: 1894600 34.0838 41.842 9.57638 41.842 -6.8799 -47.3526 9.57638 -47.3526 10.6939 GPRESSAVG: 1894600 34.5943 42.1363 9.85205 40.0685 -5.97139 -47.1815 7.91188 -48.7885 9.80108 TIMING: 1894600 CPU: 5920.11, 0.00313537/step Wall: 5920.11, 0.00313537/step, 2.70461 hours remaining, 234.246094 MB of memory in use. ENERGY: 1894600 3930.8447 20418.5954 14436.1215 253.2398 -203422.7348 2862.2288 0.0000 0.0000 51937.2518 -109584.4528 298.4841 -161521.7047 -109222.0230 297.9510 -132.2938 -99.0342 763618.7997 12.6326 12.8080 PRESSURE: 1894800 -395.31 -11.5615 -48.5097 -11.5615 -149.399 218.392 -48.5085 218.391 -8.06985 GPRESSURE: 1894800 -348.031 -14.8886 -61.5567 27.1428 -112.246 182.919 -93.258 140.87 -9.7123 PRESSAVG: 1894800 -43.362 28.9787 -9.91529 28.9786 -15.2986 -20.5194 -9.91523 -20.5195 -10.9555 GPRESSAVG: 1894800 -42.7653 28.4386 -9.00412 28.7241 -16.824 -21.3748 -8.34864 -21.4038 -9.87539 TIMING: 1894800 CPU: 5920.73, 0.00313124/step Wall: 5920.73, 0.00313124/step, 2.70087 hours remaining, 234.246094 MB of memory in use. ENERGY: 1894800 3929.1204 20527.2268 14444.0877 255.5608 -203164.7767 2491.0850 0.0000 0.0000 51999.4766 -109518.2194 298.8417 -161517.6960 -109154.8834 298.2088 -184.2596 -156.6632 763493.1426 -23.2054 -23.1549 PRESSURE: 1895000 162.426 444.792 -62.0451 444.792 -54.7894 -140.805 -62.045 -140.805 546.368 GPRESSURE: 1895000 273.156 340.846 -59.1631 370.686 -131.266 -168.263 -195.081 -84.798 593.814 PRESSAVG: 1895000 44.6359 4.40737 17.2552 4.40737 -38.3676 -15.7557 17.2552 -15.7556 -4.50437 GPRESSAVG: 1895000 44.1501 3.4271 16.4293 4.64269 -38.7473 -16.3998 16.1797 -13.8129 -3.5824 TIMING: 1895000 CPU: 5921.36, 0.00314464/step Wall: 5921.36, 0.00314464/step, 2.71225 hours remaining, 234.246094 MB of memory in use. ENERGY: 1895000 3972.6736 20461.4946 14542.8650 256.2793 -203592.7169 2978.9213 0.0000 0.0000 51959.3880 -109421.0949 298.6113 -161380.4830 -109066.9829 298.2332 218.0016 245.2346 761809.1505 0.5880 0.6068 PRESSURE: 1895200 -81.8564 273.248 -70.0845 273.248 -326.232 -82.9903 -70.0847 -82.9908 -189.388 GPRESSURE: 1895200 24.5786 309.474 -114.51 145.438 -258.036 3.74916 -117.635 -127.439 -270.949 PRESSAVG: 1895200 3.94447 31.0883 -26.2141 31.0884 20.5341 -8.27289 -26.2142 -8.27288 12.2911 GPRESSAVG: 1895200 4.62377 32.5488 -27.0153 30.8488 21.6738 -9.25093 -25.9361 -8.14565 10.1465 TIMING: 1895200 CPU: 5921.99, 0.00313636/step Wall: 5921.99, 0.00313636/step, 2.70493 hours remaining, 234.246094 MB of memory in use. ENERGY: 1895200 3983.5952 20561.8746 14516.5784 258.5938 -203128.4773 2513.7898 0.0000 0.0000 51981.4568 -109312.5888 298.7381 -161294.0455 -108954.8150 298.8520 -199.1589 -168.1357 762459.8020 12.2566 12.1480 PRESSURE: 1895400 387.58 95.4864 -37.2295 95.4863 83.1107 40.2914 -37.2301 40.2903 198.344 GPRESSURE: 1895400 332.771 87.6847 -6.78872 112.916 122.325 -53.9233 -143.491 -52.9941 308.387 PRESSAVG: 1895400 -18.4958 32.1261 13.1825 32.1261 38.5075 -4.6776 13.1825 -4.67767 9.22517 GPRESSAVG: 1895400 -18.3557 31.8079 14.0387 31.1857 38.3248 -3.2785 11.9519 -4.50855 9.63933 TIMING: 1895400 CPU: 5922.62, 0.00313251/step Wall: 5922.62, 0.00313251/step, 2.70144 hours remaining, 234.246094 MB of memory in use. ENERGY: 1895400 4032.9900 20622.1805 14447.8683 255.3440 -203516.3657 2790.9046 0.0000 0.0000 51876.4837 -109490.5946 298.1349 -161367.0782 -109119.9587 298.9206 223.0117 254.4942 761470.8468 9.7456 9.8695 PRESSURE: 1895600 -130.472 -181.407 171.306 -181.406 12.7215 -146.754 171.306 -146.754 149.216 GPRESSURE: 1895600 -214.499 -155.176 133.964 -75.561 136.385 -41.0846 168.105 -263.137 182.97 PRESSAVG: 1895600 35.501 56.2099 -26.2349 56.2099 -6.337 10.4147 -26.2348 10.4147 6.50213 GPRESSAVG: 1895600 35.1712 57.0947 -26.7086 57.3573 -6.47925 10.7239 -23.5808 10.9315 6.69509 TIMING: 1895600 CPU: 5923.24, 0.00313956/step Wall: 5923.24, 0.00313956/step, 2.70735 hours remaining, 234.246094 MB of memory in use. ENERGY: 1895600 3993.7804 20735.0681 14439.1241 230.0318 -203532.2963 2831.5093 0.0000 0.0000 51915.0575 -109387.7251 298.3565 -161302.7826 -109023.7659 298.8536 10.4884 34.9519 762671.8019 11.8887 11.7957 PRESSURE: 1895800 -265.494 -81.6205 81.4817 -81.6215 151.592 25.4635 81.4822 25.4626 255.547 GPRESSURE: 1895800 -135.769 -87.7096 124.652 -98.1256 78.9443 162.574 102.282 -67.5315 262.506 PRESSAVG: 1895800 -54.5444 -21.8632 -27.847 -21.8633 44.9297 22.0099 -27.847 22.0098 -4.28732 GPRESSAVG: 1895800 -54.5814 -22.9342 -27.2605 -22.2606 45.0226 21.9969 -29.4953 20.7449 -4.42844 TIMING: 1895800 CPU: 5923.87, 0.00312281/step Wall: 5923.87, 0.00312281/step, 2.69273 hours remaining, 234.246094 MB of memory in use. ENERGY: 1895800 3962.3747 20653.2452 14445.9949 262.0753 -203303.8559 2641.7254 0.0000 0.0000 52107.3118 -109231.1286 299.4614 -161338.4404 -108856.8955 299.2580 47.2150 68.5602 762231.8997 -4.6340 -4.6624 PRESSURE: 1896000 -21.2001 -312.809 -55.4719 -312.809 -204.946 -77.1888 -55.4728 -77.1894 146.424 GPRESSURE: 1896000 13.7794 -283.115 -72.7685 -185.049 -174.249 2.28655 -128.988 -161.136 159.409 PRESSAVG: 1896000 -22.2245 45.5077 76.3585 45.5078 25.8517 39.55 76.3585 39.5499 -18.3042 GPRESSAVG: 1896000 -21.6813 45.7119 77.0196 45.8694 25.2502 39.2565 76.0684 39.0729 -19.0988 TIMING: 1896000 CPU: 5924.49, 0.00311734/step Wall: 5924.49, 0.00311734/step, 2.68784 hours remaining, 234.246094 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: 1896000 4100.4839 20498.2427 14458.4091 232.1065 -203175.4987 2667.8491 0.0000 0.0000 51968.0956 -109250.3118 298.6614 -161218.4074 -108879.0477 299.1829 -26.5739 -0.3534 762691.3587 -4.8924 -5.1766 PRESSURE: 1896200 44.3466 63.0734 39.758 63.0736 -142.678 134.607 39.7578 134.607 4.81765 GPRESSURE: 1896200 97.9948 38.8692 63.607 159.873 -140.196 -62.8234 30.9079 59.6018 28.3655 PRESSAVG: 1896200 41.5994 36.3137 42.8592 36.3136 28.3025 28.9998 42.8592 28.9999 14.7178 GPRESSAVG: 1896200 40.7977 36.5905 41.2697 35.7948 28.5348 29.0027 43.8156 30.4955 15.6733 TIMING: 1896200 CPU: 5925.12, 0.00312753/step Wall: 5925.12, 0.00312754/step, 2.69646 hours remaining, 234.246094 MB of memory in use. ENERGY: 1896200 4003.7898 20742.0707 14493.5190 232.8807 -203286.1202 2759.9040 0.0000 0.0000 51907.1561 -109146.7999 298.3111 -161053.9560 -108790.0060 298.8321 -31.1712 -4.6120 760533.5712 28.2066 28.3352 LDB: ============= START OF LOAD BALANCING ============== 5937.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5937.6 LDB: =============== DONE WITH MIGRATION ================ 5937.6 LDB: ============= START OF LOAD BALANCING ============== 5937.91 LDB: Largest compute 6985 load 0.029320 is 15.0% of average load 0.195086 LDB: Average compute 0.004412 is 2.3% of average load 0.195086 LDB: TIME 5937.91 LOAD: AVG 0.195086 MAX 0.219312 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.562 MB LDB: TIME 5937.91 LOAD: AVG 0.195086 MAX 0.219312 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.562 MB LDB: TIME 5937.91 LOAD: AVG 0.195086 MAX 0.217439 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.562 MB LDB: ============== END OF LOAD BALANCING =============== 5937.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5937.92 PRESSURE: 1896400 266.226 -205.846 -11.4861 -205.847 -102.21 66.3634 -11.4857 66.3645 46.7159 GPRESSURE: 1896400 256.571 -184.507 34.419 -108.198 45.3561 127.707 -16.8336 80.3078 -0.923163 PRESSAVG: 1896400 -26.8137 -36.6679 8.38198 -36.6679 -13.3962 -11.7001 8.38196 -11.7002 -1.73708 GPRESSAVG: 1896400 -27.2726 -36.4643 8.9235 -37.8618 -14.3007 -12.5299 8.03415 -12.4543 -0.817292 TIMING: 1896400 CPU: 5925.76, 0.00319145/step Wall: 5925.76, 0.00319145/step, 2.75138 hours remaining, 234.949219 MB of memory in use. ENERGY: 1896400 4013.3426 20678.8774 14395.1683 263.5544 -203536.4372 2972.1054 0.0000 0.0000 52081.8042 -109131.5849 299.3148 -161213.3891 -108781.4933 299.5548 70.2441 100.3345 762360.9807 -13.9823 -14.1302 PRESSURE: 1896600 -237.031 103.042 -70.0454 103.043 -133.538 -141.059 -70.0468 -141.059 153.059 GPRESSURE: 1896600 -153.054 -58.0934 -50.3931 18.4612 -114.045 -151.626 -42.1283 -137.608 119.338 PRESSAVG: 1896600 -7.74617 -48.9976 -34.1985 -48.9975 18.1911 -9.22007 -34.1985 -9.21999 10.9324 GPRESSAVG: 1896600 -8.01811 -48.0934 -33.9351 -48.2104 19.94 -7.54661 -34.2351 -9.67563 9.31923 TIMING: 1896600 CPU: 5926.38, 0.00311658/step Wall: 5926.38, 0.00311657/step, 2.68666 hours remaining, 235.152344 MB of memory in use. ENERGY: 1896600 3982.2565 20572.8406 14514.5193 269.1896 -203216.5288 2669.2326 0.0000 0.0000 52055.4437 -109153.0465 299.1634 -161208.4902 -108784.4669 299.4447 -72.5033 -49.2539 762380.9974 7.1258 7.0804 PRESSURE: 1896800 115.426 -168.258 -360.021 -168.256 -152.886 -173.288 -360.022 -173.288 545.812 GPRESSURE: 1896800 113.095 -148.741 -330.014 -139.25 -110.777 -136.476 -176.879 -46.2949 589.893 PRESSAVG: 1896800 16.5935 -47.6983 -28.4101 -47.6983 -29.6325 9.96099 -28.41 9.96103 -14.3668 GPRESSAVG: 1896800 16.8037 -46.9427 -29.3181 -49.1654 -30.5944 9.17804 -28.5895 11.3966 -13.4933 TIMING: 1896800 CPU: 5927, 0.00312394/step Wall: 5927, 0.00312394/step, 2.69283 hours remaining, 235.152344 MB of memory in use. ENERGY: 1896800 3952.8008 20618.2004 14411.7705 243.0070 -203112.4044 2761.8575 0.0000 0.0000 51974.3611 -109150.4071 298.6974 -161124.7682 -108785.0169 299.3851 169.4506 197.4038 763176.5342 -9.1353 -9.0947 PRESSURE: 1897000 -136.707 -75.7955 -48.7133 -75.7954 -95.223 139.643 -48.7141 139.645 -130.434 GPRESSURE: 1897000 -79.0432 -95.8059 -88.6438 -98.3386 -39.3256 106.37 16.2905 77.6307 -146.957 PRESSAVG: 1897000 -60.965 41.8941 -12.0259 41.8941 45.4218 -2.93936 -12.0258 -2.93937 -24.9412 GPRESSAVG: 1897000 -62.3069 41.7022 -11.3753 43.6856 46.3174 -2.93756 -12.037 -3.37785 -24.5282 TIMING: 1897000 CPU: 5927.63, 0.00311287/step Wall: 5927.63, 0.00311287/step, 2.68312 hours remaining, 235.152344 MB of memory in use. ENERGY: 1897000 4003.0451 20377.0172 14470.0233 255.2446 -203426.2421 2903.3008 0.0000 0.0000 52025.2598 -109392.3514 298.9899 -161417.6111 -109032.5528 298.8468 -120.7880 -88.4420 762807.4229 -13.4948 -13.5059 PRESSURE: 1897200 143.938 -119.85 -24.4272 -119.85 110.275 -178.422 -24.4262 -178.423 74.3299 GPRESSURE: 1897200 183.191 -12.0658 -14.8223 -215.015 121.228 -154.567 -87.4695 -263.099 110.268 PRESSAVG: 1897200 -10.396 -90.0033 2.67153 -90.0032 8.43399 -14.2783 2.67159 -14.2783 4.31264 GPRESSAVG: 1897200 -9.36849 -91.7988 2.32509 -90.4088 6.96519 -14.6641 0.113403 -13.8674 4.58615 TIMING: 1897200 CPU: 5928.26, 0.00314735/step Wall: 5928.26, 0.00314735/step, 2.71267 hours remaining, 235.152344 MB of memory in use. ENERGY: 1897200 3969.1151 20372.8656 14540.7682 253.6715 -203188.8874 2647.1431 0.0000 0.0000 51937.5674 -109467.7566 298.4859 -161405.3240 -109101.3180 298.8939 109.5145 138.2289 762214.6122 0.7836 0.7276 PRESSURE: 1897400 -61.8475 -45.3567 209.402 -45.3569 -17.3217 121.926 209.402 121.926 263.499 GPRESSURE: 1897400 -22.7903 -20.768 211.509 60.9765 -64.7777 126.075 208.629 34.4245 350.669 PRESSAVG: 1897400 -49.4976 -48.4888 25.2696 -48.4888 61.978 -3.70872 25.2696 -3.70877 -4.66362 GPRESSAVG: 1897400 -48.9277 -48.7993 24.2352 -46.5023 61.7118 -4.26172 27.784 -4.02405 -5.00517 TIMING: 1897400 CPU: 5928.88, 0.00312741/step Wall: 5928.88, 0.00312741/step, 2.6953 hours remaining, 235.152344 MB of memory in use. ENERGY: 1897400 4045.3207 20422.9937 14492.3769 250.1180 -203158.7420 2591.8893 0.0000 0.0000 52064.1747 -109291.8688 299.2135 -161356.0435 -108930.5799 298.6017 61.4432 87.7003 762441.2720 2.6056 2.5930 PRESSURE: 1897600 -82.7717 -46.4175 304.472 -46.4184 -479.779 -103.872 304.472 -103.871 163.826 GPRESSURE: 1897600 -189.666 -28.2522 265.919 -68.6729 -318.43 -114.036 289.161 -113.973 157.331 PRESSAVG: 1897600 13.8773 -3.03021 12.3344 -3.03016 13.4177 -0.276829 12.3343 -0.276862 -1.5545 GPRESSAVG: 1897600 13.7044 -1.97986 13.4903 -4.06353 12.8352 0.598461 10.8341 -0.571479 -0.848621 TIMING: 1897600 CPU: 5929.5, 0.00310322/step Wall: 5929.5, 0.00310322/step, 2.67429 hours remaining, 235.152344 MB of memory in use. ENERGY: 1897600 3995.3702 20546.8789 14495.6254 245.2391 -203463.9917 2892.4939 0.0000 0.0000 52143.2822 -109145.1021 299.6682 -161288.3843 -108781.8854 299.0374 -132.9083 -116.9216 765224.4453 8.5802 8.5637 PRESSURE: 1897800 -581.583 223.671 -92.0298 223.671 -42.9963 -15.1311 -92.0291 -15.1316 -312.669 GPRESSURE: 1897800 -471.751 199.243 -62.2007 71.6132 -42.2785 -2.87654 -78.3665 -47.4801 -339.925 PRESSAVG: 1897800 18.438 -34.5013 3.37627 -34.5013 -48.2347 38.0897 3.37629 38.0897 8.83699 GPRESSAVG: 1897800 17.2017 -34.3114 3.53648 -34.5951 -45.7883 37.4438 4.80268 40.3573 7.55092 TIMING: 1897800 CPU: 5930.12, 0.00310986/step Wall: 5930.12, 0.00310986/step, 2.67984 hours remaining, 235.152344 MB of memory in use. ENERGY: 1897800 3976.4014 20577.9337 14422.6256 240.3635 -203138.8479 2649.6857 0.0000 0.0000 52123.2013 -109148.6368 299.5528 -161271.8380 -108785.0585 299.1503 -312.4161 -284.6516 765899.7824 -6.9866 -7.0119 PRESSURE: 1898000 -318.212 -124.634 54.3242 -124.635 -234.465 -144.984 54.3247 -144.984 85.2105 GPRESSURE: 1898000 -258.138 -160.192 41.1446 -22.9596 -165.785 -94.2433 16.1168 -66.6633 61.6913 PRESSAVG: 1898000 11.0437 -26.4458 -23.0373 -26.4459 -34.0453 10.2073 -23.0373 10.2073 -14.6318 GPRESSAVG: 1898000 11.9448 -26.4099 -22.8919 -25.4688 -34.7975 9.7177 -23.5152 8.33677 -14.986 TIMING: 1898000 CPU: 5930.75, 0.00311195/step Wall: 5930.75, 0.00311195/step, 2.68146 hours remaining, 235.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1898000 4030.8584 20476.7408 14481.5122 235.3094 -203298.2150 2818.2037 0.0000 0.0000 52370.3052 -108885.2851 300.9729 -161255.5903 -108517.8159 299.3548 -155.8220 -120.7440 764305.1276 -12.5445 -12.6129 PRESSURE: 1898200 -152.391 -19.9097 -1.2153 -19.9104 -260.584 -106.566 -1.21477 -106.566 159.129 GPRESSURE: 1898200 -165.98 60.0207 34.3436 -1.2374 -211.799 32.2955 -37.6465 -112.71 239.92 PRESSAVG: 1898200 25.8932 20.003 50.4454 20.003 -71.7056 -15.0593 50.4453 -15.0593 -3.68542 GPRESSAVG: 1898200 25.5305 20.193 49.7755 18.5437 -72.5848 -15.7946 48.9403 -13.2793 -2.47393 TIMING: 1898200 CPU: 5931.37, 0.00310492/step Wall: 5931.37, 0.00310492/step, 2.67523 hours remaining, 235.152344 MB of memory in use. ENERGY: 1898200 3944.1101 20667.3131 14449.2488 238.4337 -202941.2698 2690.4241 0.0000 0.0000 52254.6766 -108697.0634 300.3083 -160951.7400 -108341.2483 299.6305 -84.6153 -45.9531 763877.6047 -16.4993 -16.5094 PRESSURE: 1898400 54.8013 -13.4778 -95.8581 -13.4779 -471.227 -131.609 -95.8572 -131.608 42.5569 GPRESSURE: 1898400 8.32035 -106.396 0.553636 8.86535 -355.016 -109.371 -134.92 -216.66 57.395 PRESSAVG: 1898400 -3.62671 -45.0366 35.1971 -45.0366 0.51316 -15.8795 35.1971 -15.8795 -16.6613 GPRESSAVG: 1898400 -2.79163 -45.3636 36.0701 -42.5468 -0.882777 -14.4141 34.4597 -16.2965 -16.2406 TIMING: 1898400 CPU: 5931.99, 0.00310926/step Wall: 5931.99, 0.00310926/step, 2.6788 hours remaining, 235.152344 MB of memory in use. ENERGY: 1898400 4044.2252 20438.9506 14477.7773 259.8929 -202775.9158 2614.5880 0.0000 0.0000 52101.7773 -108838.7046 299.4296 -160940.4819 -108467.6746 299.9376 -124.6230 -96.4335 764559.1353 -6.5916 -6.6383 PRESSURE: 1898600 -36.0846 172.228 58.122 172.227 -66.9768 -137.894 58.1211 -137.894 -77.1635 GPRESSURE: 1898600 -52.8251 40.1695 14.3048 233.678 37.2908 14.2793 103.578 -152.222 -77.7732 PRESSAVG: 1898600 -0.773332 -3.83611 -12.1223 -3.83614 3.9847 -16.3439 -12.1223 -16.3439 5.30181 GPRESSAVG: 1898600 -1.60846 -1.44738 -12.2973 -6.39256 5.34149 -17.7645 -11.8899 -16.8381 4.44035 TIMING: 1898600 CPU: 5932.61, 0.00311845/step Wall: 5932.61, 0.00311845/step, 2.68654 hours remaining, 235.152344 MB of memory in use. ENERGY: 1898600 3997.3258 20606.5373 14423.7978 261.6508 -203011.7653 2721.6214 0.0000 0.0000 51906.5751 -109094.2572 298.3078 -161000.8323 -108740.8436 299.6905 -60.0750 -31.1025 765142.1666 2.8377 2.7245 PRESSURE: 1898800 327.978 -107.521 -59.8541 -107.52 -91.4084 -16.0434 -59.8535 -16.0439 -6.41512 GPRESSURE: 1898800 362.121 -94.9616 -167.494 -135.493 -49.553 119.009 -49.2128 -67.2668 -7.10409 PRESSAVG: 1898800 30.555 18.5646 -13.5494 18.5646 11.226 -56.1025 -13.5494 -56.1024 -4.24685 GPRESSAVG: 1898800 30.178 17.2357 -15.0387 19.5229 11.3518 -54.4428 -11.4687 -54.6176 -4.74109 TIMING: 1898800 CPU: 5933.24, 0.00313077/step Wall: 5933.24, 0.00313077/step, 2.69698 hours remaining, 235.152344 MB of memory in use. ENERGY: 1898800 4039.8215 20559.3337 14395.2119 243.3137 -203299.2034 2821.0768 0.0000 0.0000 52201.4864 -109038.9595 300.0027 -161240.4458 -108684.1650 299.3265 76.7182 101.8213 763955.6530 12.5114 12.2629 PRESSURE: 1899000 -233.571 -58.0358 252.312 -58.0359 17.2579 -96.7979 252.311 -96.7982 -368.891 GPRESSURE: 1899000 -219.427 -187.488 359.189 17.3846 15.2667 -117.059 129.616 -178.902 -297.128 PRESSAVG: 1899000 -88.55 -12.8245 16.2865 -12.8244 53.4424 -28.841 16.2865 -28.8409 6.06829 GPRESSAVG: 1899000 -88.2884 -14.7254 17.3856 -12.3059 52.857 -29.3967 15.4076 -29.8172 6.17877 TIMING: 1899000 CPU: 5933.87, 0.00313299/step Wall: 5933.87, 0.00313299/step, 2.69872 hours remaining, 235.152344 MB of memory in use. ENERGY: 1899000 3895.0489 20465.5992 14425.2342 234.7873 -203437.1101 2979.9985 0.0000 0.0000 52272.4964 -109163.9456 300.4108 -161436.4420 -108796.5729 299.0467 -195.0678 -167.0959 764505.2500 -9.6798 -9.7509 PRESSURE: 1899200 -182.943 231.828 61.7056 231.828 -69.2304 -42.2001 61.7071 -42.2 -71.6607 GPRESSURE: 1899200 -115.493 287.945 32.1305 226.07 -82.5692 -136.186 55.0061 12.4919 -37.7577 PRESSAVG: 1899200 -50.5936 -5.37498 -15.142 -5.37501 6.77053 -22.8303 -15.142 -22.8303 -8.35267 GPRESSAVG: 1899200 -51.5024 -1.49116 -13.1327 -6.49319 6.51285 -23.3547 -17.2303 -19.9285 -7.23523 TIMING: 1899200 CPU: 5934.49, 0.00311856/step Wall: 5934.49, 0.00311857/step, 2.68612 hours remaining, 235.152344 MB of memory in use. ENERGY: 1899200 4030.0307 20394.9454 14483.8607 239.8227 -203189.3264 2812.0986 0.0000 0.0000 52122.5856 -109105.9826 299.5492 -161228.5682 -108744.1811 298.9627 -107.9446 -78.6065 764223.8632 -17.3919 -17.4083 PRESSURE: 1899400 61.5356 -173.137 -95.9284 -173.137 36.0274 137.146 -95.9291 137.146 197.754 GPRESSURE: 1899400 162.04 -229.387 -134.056 -69.5272 117.565 146.858 -55.6928 100.797 99.6507 PRESSAVG: 1899400 -68.3658 -11.9417 57.4207 -11.9416 33.2602 17.0886 57.4207 17.0886 1.90554 GPRESSAVG: 1899400 -66.8552 -15.5433 56.2472 -10.0419 32.3769 17.3428 58.2896 14.6899 0.86059 TIMING: 1899400 CPU: 5935.11, 0.00311663/step Wall: 5935.11, 0.00311663/step, 2.68428 hours remaining, 235.152344 MB of memory in use. ENERGY: 1899400 4027.2748 20602.5745 14454.5809 248.6161 -203573.7009 2984.1791 0.0000 0.0000 51926.2320 -109330.2436 298.4208 -161256.4756 -108980.9077 299.0400 98.4391 126.4184 762900.0120 -11.0667 -11.2059 PRESSURE: 1899600 -40.6204 20.1159 88.799 20.1151 -161.483 -69.4138 88.7982 -69.4145 94.016 GPRESSURE: 1899600 -66.5688 71.868 4.3886 85.3587 20.5444 -56.1924 107.621 -8.42496 32.0931 PRESSAVG: 1899600 -35.4541 -4.69121 27.0286 -4.69126 67.6999 47.5724 27.0286 47.5724 2.54531 GPRESSAVG: 1899600 -36.4315 -5.22318 25.5819 -2.65409 68.8232 46.4217 27.7917 48.6789 2.68513 TIMING: 1899600 CPU: 5935.74, 0.00311607/step Wall: 5935.74, 0.00311607/step, 2.68363 hours remaining, 235.152344 MB of memory in use. ENERGY: 1899600 3912.9802 20335.7696 14511.1951 243.5801 -203313.8334 2831.2917 0.0000 0.0000 51920.1755 -109558.8412 298.3860 -161479.0167 -109187.5239 297.9302 -36.0290 -4.6437 762439.2499 11.5970 11.6923 PRESSURE: 1899800 -294.278 27.0363 -14.5705 27.0359 -0.94699 19.5878 -14.5707 19.5878 184.808 GPRESSURE: 1899800 -286.833 94.3408 -39.7629 -0.147207 47.1111 0.758972 5.67178 -46.6474 206.612 PRESSAVG: 1899800 -41.75 -17.8617 3.61131 -17.8617 24.9047 -4.28376 3.61137 -4.28382 14.138 GPRESSAVG: 1899800 -40.8827 -17.2617 4.8903 -19.1912 24.0908 -5.64088 3.71278 -3.72198 14.7053 TIMING: 1899800 CPU: 5936.36, 0.00312289/step Wall: 5936.36, 0.00312289/step, 2.68933 hours remaining, 235.152344 MB of memory in use. ENERGY: 1899800 3993.1170 20416.7717 14524.4183 255.0042 -203137.8768 2720.5823 0.0000 0.0000 51931.8580 -109296.1254 298.4531 -161227.9834 -108928.2866 298.0180 -36.8058 -11.0365 762560.2112 -0.9024 -0.6955 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1900000 WRITING COORDINATES TO RESTART FILE AT STEP 1900000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1900000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1900000 -514.543 -29.4483 -109.793 -29.449 -283.021 -34.3153 -109.793 -34.3159 -242.922 GPRESSURE: 1900000 -483.493 -72.7349 -91.5492 32.0069 -292.409 -4.28951 -124.884 -112.724 -197.922 PRESSAVG: 1900000 -4.27754 49.5304 -39.9062 49.5304 -8.69706 31.1573 -39.9063 31.1573 10.0347 GPRESSAVG: 1900000 -6.20935 48.5491 -41.2902 47.7415 -7.98722 33.7293 -38.4016 29.4401 10.6483 TIMING: 1900000 CPU: 5937, 0.00322237/step Wall: 5937, 0.00322237/step, 2.77482 hours remaining, 235.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1900000 3983.4273 20359.3244 14537.0939 248.4795 -202981.8555 2454.1589 0.0000 0.0000 52041.6992 -109357.6723 299.0844 -161399.3715 -108994.3728 298.6863 -346.8287 -324.6082 763367.3871 -0.9800 -1.1828 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1900000 PRESSURE: 1900200 -78.6831 -54.1293 69.0668 -54.1297 160.072 69.3728 69.0663 69.3744 -60.0181 GPRESSURE: 1900200 -64.0807 -47.4984 189.64 -106.995 187.761 52.6682 48.6867 55.7701 -5.89136 PRESSAVG: 1900200 -42.0035 15.4953 -30.6696 15.4953 23.9262 13.4425 -30.6696 13.4424 7.79543 GPRESSAVG: 1900200 -41.4335 17.2942 -30.493 16.0578 23.9055 13.4633 -29.6706 12.8647 7.63505 TIMING: 1900200 CPU: 5937.63, 0.00311609/step Wall: 5937.63, 0.00311609/step, 2.68313 hours remaining, 235.152344 MB of memory in use. ENERGY: 1900200 3943.9095 20637.9987 14459.1811 268.8185 -203052.3153 2443.5525 0.0000 0.0000 51846.3139 -109452.5410 297.9615 -161298.8550 -109096.6742 298.6330 7.1236 39.2631 762799.1003 -3.4273 -3.2976 LDB: ============= START OF LOAD BALANCING ============== 5950.11 LDB: ============== END OF LOAD BALANCING =============== 5950.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5950.11 LDB: ============= START OF LOAD BALANCING ============== 5950.42 LDB: Largest compute 6985 load 0.031202 is 16.0% of average load 0.195014 LDB: Average compute 0.004405 is 2.3% of average load 0.195014 LDB: TIME 5950.42 LOAD: AVG 0.195014 MAX 0.21375 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.023 MB LDB: TIME 5950.42 LOAD: AVG 0.195014 MAX 0.21375 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.223 MB LDB: TIME 5950.42 LOAD: AVG 0.195014 MAX 0.21375 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.223 MB LDB: ============== END OF LOAD BALANCING =============== 5950.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5950.43 PRESSURE: 1900400 -25.5995 -34.8268 121.038 -34.8274 150.85 -64.3465 121.038 -64.3463 205.682 GPRESSURE: 1900400 -39.9129 -24.5686 73.27 -145.061 182.104 -44.0193 32.2406 120.322 266.8 PRESSAVG: 1900400 -39.775 38.4698 -13.0053 38.4699 47.1879 48.3859 -13.0053 48.386 22.5615 GPRESSAVG: 1900400 -39.3617 36.7248 -12.8025 37.924 47.0411 47.0603 -16.6983 49.2943 21.669 TIMING: 1900400 CPU: 5938.26, 0.00318542/step Wall: 5938.26, 0.00318542/step, 2.74265 hours remaining, 234.312500 MB of memory in use. ENERGY: 1900400 3938.2848 20450.3027 14450.8301 238.3019 -203209.1934 2738.3105 0.0000 0.0000 51984.7141 -109408.4493 298.7569 -161393.1634 -109047.5382 298.5734 110.3108 136.3303 763261.6358 9.9915 9.7828 PRESSURE: 1900600 -337.45 -91.5543 15.6561 -91.5537 92.8173 -8.8161 15.6568 -8.81638 -253.696 GPRESSURE: 1900600 -228.505 -115.506 66.5487 -90.5417 50.4362 23.2004 -48.44 8.35876 -259.974 PRESSAVG: 1900600 -40.6463 5.34285 -55.3784 5.34284 48.9314 53.4176 -55.3784 53.4176 17.769 GPRESSAVG: 1900600 -39.8107 6.47428 -54.5245 6.88745 48.9625 54.3531 -54.8251 53.6313 17.045 TIMING: 1900600 CPU: 5938.89, 0.00311217/step Wall: 5938.89, 0.00311217/step, 2.6794 hours remaining, 234.312500 MB of memory in use. ENERGY: 1900600 3973.4314 20554.8959 14500.3000 263.8939 -203307.0469 2737.4659 0.0000 0.0000 51967.1927 -109309.8672 298.6562 -161277.0598 -108958.9940 298.3531 -166.1095 -146.0143 764156.4571 8.6847 8.7323 PRESSURE: 1900800 -67.2242 -35.7895 -69.0613 -35.7897 -45.9603 120.446 -69.0615 120.446 -86.4405 GPRESSURE: 1900800 -65.5977 112.615 86.3704 -101.633 21.0524 71.2577 -4.22906 38.2685 -68.0659 PRESSAVG: 1900800 -21.2551 34.0276 -15.0162 34.0276 38.7495 -2.80253 -15.0162 -2.80257 -1.64317 GPRESSAVG: 1900800 -22.409 33.203 -13.8883 33.1156 38.8701 -3.97727 -15.0237 -2.92157 -0.253716 TIMING: 1900800 CPU: 5939.51, 0.0031233/step Wall: 5939.51, 0.00312329/step, 2.68881 hours remaining, 234.312500 MB of memory in use. ENERGY: 1900800 4089.8752 20455.5354 14549.4426 254.9130 -203246.9534 2709.6396 0.0000 0.0000 51832.1254 -109355.4222 297.8799 -161187.5476 -108988.2784 298.3706 -66.5417 -37.5371 762721.9680 5.2838 5.4025 PRESSURE: 1901000 -233.474 143.406 157.832 143.405 172.238 4.17726 157.833 4.17634 -123.499 GPRESSURE: 1901000 -99.2223 34.2864 128.228 59.198 187.373 29.7577 -34.6899 -92.8968 -191.597 PRESSAVG: 1901000 -68.113 -13.742 -6.7928 -13.742 56.4144 8.90997 -6.7927 8.90998 -4.1283 GPRESSAVG: 1901000 -67.7733 -11.5542 -7.55705 -15.7444 56.9581 9.79397 -6.48698 7.40195 -5.41026 TIMING: 1901000 CPU: 5940.13, 0.00309787/step Wall: 5940.13, 0.00309787/step, 2.66675 hours remaining, 234.312500 MB of memory in use. ENERGY: 1901000 3985.1846 20408.9823 14516.7062 263.2776 -202921.6348 2429.9139 0.0000 0.0000 51870.0262 -109447.5440 298.0978 -161317.5702 -109080.8090 298.1137 -61.5784 -34.4821 762833.6325 -5.2756 -5.4085 PRESSURE: 1901200 92.7992 26.8116 227.887 26.8109 56.1743 57.7115 227.886 57.7111 -4.1359 GPRESSURE: 1901200 101.743 -25.0953 216.423 149.931 87.6712 44.9653 144.506 87.7637 58.6059 PRESSAVG: 1901200 -46.4087 -17.708 16.4942 -17.7079 74.0836 20.9085 16.4943 20.9085 30.4074 GPRESSAVG: 1901200 -45.7382 -19.886 15.5834 -16.3438 73.6147 20.5248 16.9814 22.3414 30.7735 TIMING: 1901200 CPU: 5940.75, 0.00309283/step Wall: 5940.75, 0.00309283/step, 2.66224 hours remaining, 234.312500 MB of memory in use. ENERGY: 1901200 4029.3890 20353.4505 14442.0812 236.6485 -203488.5746 2846.9572 0.0000 0.0000 51952.7635 -109627.2846 298.5732 -161580.0481 -109258.8119 298.1083 48.2792 82.6734 761818.7107 19.3608 19.5500 PRESSURE: 1901400 -205.792 44.2821 134.843 44.2825 348.177 -116.284 134.843 -116.283 73.915 GPRESSURE: 1901400 -118.795 -24.1223 55.3335 -26.1469 348.575 -67.6064 92.2081 -176.162 73.7723 PRESSAVG: 1901400 -9.70867 7.89483 79.3557 7.89485 34.4119 29.5666 79.3558 29.5665 -34.826 GPRESSAVG: 1901400 -9.40709 8.26409 79.4109 9.84176 33.6412 30.5788 80.9493 28.0148 -34.3463 TIMING: 1901400 CPU: 5941.37, 0.00311727/step Wall: 5941.37, 0.00311727/step, 2.6831 hours remaining, 234.312500 MB of memory in use. ENERGY: 1901400 3969.2623 20368.1106 14480.4274 238.4676 -203130.3666 2766.7205 0.0000 0.0000 51918.5558 -109388.8225 298.3767 -161307.3783 -109025.1638 298.0945 72.0999 101.1842 762120.0157 -3.3743 -3.3707 PRESSURE: 1901600 -101.59 92.3132 0.665293 92.3127 -490.39 199.661 0.665336 199.66 -400.213 GPRESSURE: 1901600 -124.795 4.44062 -71.1997 98.639 -440.991 200.009 86.0151 159.016 -332.032 PRESSAVG: 1901600 21.7878 -23.662 10.5656 -23.662 -33.5001 13.6407 10.5656 13.6406 8.73684 GPRESSAVG: 1901600 20.1989 -23.9593 13.3779 -25.3464 -32.405 12.867 8.44212 12.1259 9.51861 TIMING: 1901600 CPU: 5942, 0.00311306/step Wall: 5942, 0.00311306/step, 2.67931 hours remaining, 234.312500 MB of memory in use. ENERGY: 1901600 4028.4492 20488.4198 14572.6768 247.1947 -203277.7844 2534.1702 0.0000 0.0000 52166.2134 -109240.6603 299.7999 -161406.8737 -108880.9612 298.9201 -330.7310 -299.2731 764088.1021 -0.9918 -0.8958 PRESSURE: 1901800 -108.425 54.338 215.668 54.338 -75.4722 -240.33 215.668 -240.33 -521.726 GPRESSURE: 1901800 -120.709 28.1641 157.755 100.406 -62.1698 -241.777 244.015 -302.453 -457.15 PRESSAVG: 1901800 13.3609 -34.2845 9.48061 -34.2845 -34.0367 -22.1895 9.48062 -22.1895 -17.0719 GPRESSAVG: 1901800 13.3478 -33.0688 7.03877 -35.3816 -33.6848 -22.0369 9.92862 -19.3089 -17.2518 TIMING: 1901800 CPU: 5942.62, 0.00311179/step Wall: 5942.62, 0.00311179/step, 2.67804 hours remaining, 234.312500 MB of memory in use. ENERGY: 1901800 4084.5170 20640.8184 14438.3991 275.8391 -203579.3797 2789.4337 0.0000 0.0000 52018.8893 -109331.4830 298.9533 -161350.3724 -108979.7698 299.2807 -235.2076 -213.3428 761774.8043 -12.5825 -12.5296 PRESSURE: 1902000 -174.382 -238.471 -25.4547 -238.471 -5.05331 -57.3744 -25.4549 -57.3736 54.7529 GPRESSURE: 1902000 -122.27 -159.03 -69.2822 -308.93 30.0864 11.2377 26.0222 -42.6405 60.6898 PRESSAVG: 1902000 -58.666 -84.9096 22.8764 -84.9096 50.7713 -4.29811 22.8763 -4.29816 -6.25766 GPRESSAVG: 1902000 -58.3604 -83.356 24.0775 -83.688 50.0246 -5.03729 22.3627 -5.53264 -6.57328 TIMING: 1902000 CPU: 5943.24, 0.00310508/step Wall: 5943.24, 0.00310508/step, 2.67209 hours remaining, 234.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1902000 4072.0521 20473.0480 14460.4717 263.4612 -203497.5304 2933.0658 0.0000 0.0000 51991.8263 -109303.6053 298.7977 -161295.4316 -108934.3404 299.4144 -41.5607 -10.4978 762674.3517 -4.7174 -4.9697 PRESSURE: 1902200 -352.259 72.4446 233.183 72.4445 -53.4817 -39.3295 233.184 -39.3303 -439.076 GPRESSURE: 1902200 -255.121 73.5562 148.944 65.9115 -57.3635 -53.999 121.736 -104.751 -450.126 PRESSAVG: 1902200 -22.1603 -53.5755 27.7366 -53.5754 25.3749 -5.57874 27.7366 -5.57874 -20.3796 GPRESSAVG: 1902200 -23.508 -55.9879 26.8254 -54.315 26.1624 -5.69167 26.3713 -3.99443 -20.2797 TIMING: 1902200 CPU: 5943.86, 0.00311033/step Wall: 5943.86, 0.00311033/step, 2.67644 hours remaining, 234.312500 MB of memory in use. ENERGY: 1902200 4061.0970 20471.1370 14480.6280 263.7178 -203121.3313 2600.3294 0.0000 0.0000 52041.3867 -109203.0355 299.0826 -161244.4222 -108841.8560 298.9950 -281.6056 -254.2033 764289.5794 -5.7217 -5.8751 PRESSURE: 1902400 -293.604 165.418 -60.2956 165.418 -138.812 124.974 -60.295 124.975 -130.886 GPRESSURE: 1902400 -198.185 161.205 -96.2624 144.361 -200.264 141.24 -122.553 127.647 -60.4213 PRESSAVG: 1902400 -71.4642 4.32038 29.6569 4.3204 60.6132 -42.8543 29.6568 -42.8543 -6.11442 GPRESSAVG: 1902400 -70.1131 4.30989 29.6973 5.26167 59.8348 -41.1924 30.578 -44.0149 -6.39599 TIMING: 1902400 CPU: 5944.48, 0.0031163/step Wall: 5944.48, 0.0031163/step, 2.6814 hours remaining, 234.312500 MB of memory in use. ENERGY: 1902400 4027.3838 20620.6244 14455.3007 244.4769 -203469.9706 2721.7464 0.0000 0.0000 52165.2116 -109235.2269 299.7942 -161400.4385 -108879.7864 299.3272 -187.7673 -152.9568 763229.2944 -5.6551 -5.5581 PRESSURE: 1902600 -119.353 -97.2154 -104.279 -97.2159 -34.5406 176.825 -104.279 176.825 30.2767 GPRESSURE: 1902600 -161.898 -89.3237 -86.2087 -104.658 9.42037 165.345 -220.116 3.94292 97.285 PRESSAVG: 1902600 -54.2695 33.5287 3.53373 33.5287 68.0351 -58.5773 3.53385 -58.5772 4.95121 GPRESSAVG: 1902600 -55.0469 34.5655 4.01779 33.2711 68.718 -60.1045 5.27717 -58.4002 4.9124 TIMING: 1902600 CPU: 5945.11, 0.00310535/step Wall: 5945.11, 0.00310535/step, 2.67181 hours remaining, 234.312500 MB of memory in use. ENERGY: 1902600 3969.5687 20661.4996 14552.2854 245.7453 -203084.7803 2461.8355 0.0000 0.0000 51915.9916 -109277.8542 298.3619 -161193.8458 -108918.3954 299.4244 -41.2055 -18.3974 762752.1410 6.2389 6.1945 PRESSURE: 1902800 -172.578 269.984 -8.07773 269.984 103.447 95.356 -8.07683 95.3547 -71.7547 GPRESSURE: 1902800 -141.652 32.9042 0.484041 277.761 141.782 186.607 -67.9835 202.403 -65.2098 PRESSAVG: 1902800 10.0325 44.8355 -15.8409 44.8355 -24.0386 18.6011 -15.8408 18.6011 20.3035 GPRESSAVG: 1902800 9.16114 42.993 -14.3064 43.7585 -23.1619 20.7088 -16.7518 17.1831 20.372 TIMING: 1902800 CPU: 5945.73, 0.00311827/step Wall: 5945.73, 0.00311827/step, 2.68275 hours remaining, 234.312500 MB of memory in use. ENERGY: 1902800 3943.9872 20546.0309 14504.3111 250.0515 -203551.5888 2816.4633 0.0000 0.0000 52216.7570 -109273.9878 300.0904 -161490.7448 -108904.9629 298.7557 -46.9620 -21.6934 761792.5974 2.0991 2.1238 PRESSURE: 1903000 96.5726 -49.131 -118.132 -49.131 379.41 -295.259 -118.132 -295.259 445.963 GPRESSURE: 1903000 164.154 25.5237 -88.473 -105.634 338.511 -232.332 -163.578 -262.079 505.165 PRESSAVG: 1903000 15.1804 23.4163 -30.6187 23.4164 74.294 76.0576 -30.6187 76.0576 6.72395 GPRESSAVG: 1903000 15.9658 24.1919 -32.9829 23.8127 74.255 75.1683 -31.7034 77.0639 5.53932 TIMING: 1903000 CPU: 5946.35, 0.00311252/step Wall: 5946.35, 0.00311252/step, 2.67763 hours remaining, 234.312500 MB of memory in use. ENERGY: 1903000 3973.5893 20693.7074 14504.1427 244.4727 -203249.4011 2715.9516 0.0000 0.0000 51940.8368 -109176.7005 298.5047 -161117.5373 -108822.3817 299.3586 307.3150 335.9432 761872.7295 32.0661 31.9200 PRESSURE: 1903200 -318.903 211.314 34.0043 211.314 -81.9268 -19.2723 34.0048 -19.2729 108.62 GPRESSURE: 1903200 -150.433 278.393 76.7897 251.824 -128.043 -38.7177 89.2844 -164.383 62.2399 PRESSAVG: 1903200 46.8024 9.7965 33.189 9.79646 -0.186679 -16.8085 33.1891 -16.8085 31.5317 GPRESSAVG: 1903200 47.3881 10.2779 35.4006 9.73592 -2.79546 -17.4316 36.7983 -17.261 32.6848 TIMING: 1903200 CPU: 5946.98, 0.00312589/step Wall: 5946.98, 0.00312589/step, 2.68896 hours remaining, 234.312500 MB of memory in use. ENERGY: 1903200 3987.1396 20620.7393 14526.9485 255.8220 -203475.0236 2677.4426 0.0000 0.0000 52065.4790 -109341.4526 299.2210 -161406.9316 -108985.5522 299.2405 -97.4034 -72.0787 763136.8693 26.0491 25.7591 PRESSURE: 1903400 -270.826 47.8018 31.2497 47.8021 -371.931 30.0348 31.2487 30.0344 -174.022 GPRESSURE: 1903400 -305.799 -14.9116 -1.50342 9.4224 -245.364 102.647 12.8046 23.5739 -173.345 PRESSAVG: 1903400 26.5953 2.71883 -3.50086 2.71885 -16.8702 39.3009 -3.50079 39.3009 19.3253 GPRESSAVG: 1903400 25.4867 3.01418 -3.21114 4.31439 -14.8153 40.4963 -4.52059 40.3649 18.11 TIMING: 1903400 CPU: 5947.6, 0.00312648/step Wall: 5947.6, 0.00312648/step, 2.6893 hours remaining, 234.312500 MB of memory in use. ENERGY: 1903400 3944.6580 20605.4305 14447.4552 247.3350 -203312.1219 2676.9050 0.0000 0.0000 52091.5932 -109298.7451 299.3711 -161390.3383 -108947.7441 299.1742 -272.2595 -241.5024 763943.7513 9.6835 9.5938 PRESSURE: 1903600 -343.794 -18.2631 337.84 -18.2629 -379.641 150.093 337.84 150.092 85.2196 GPRESSURE: 1903600 -245.839 122.865 428.995 34.8381 -349.374 190.542 238.767 30.7274 50.7695 PRESSAVG: 1903600 -21.5428 0.716876 -6.99574 0.71687 -22.3269 38.6074 -6.99576 38.6075 -2.67367 GPRESSAVG: 1903600 -21.4323 1.08707 -8.28498 0.722306 -22.9824 38.2948 -9.64687 38.2152 -1.8659 TIMING: 1903600 CPU: 5948.23, 0.0031282/step Wall: 5948.23, 0.0031282/step, 2.6906 hours remaining, 234.312500 MB of memory in use. ENERGY: 1903600 4055.5920 20440.2540 14557.7184 251.6289 -204046.5385 3177.7876 0.0000 0.0000 52173.8182 -109389.7394 299.8437 -161563.5576 -109021.4323 299.0421 -212.7386 -181.4810 762122.0265 -15.5145 -15.4269 PRESSURE: 1903800 49.6371 -20.7892 -277.622 -20.7879 -250.348 -73.218 -277.623 -73.218 -165.346 GPRESSURE: 1903800 131.202 -21.9925 -308.28 -53.9762 -217.648 -142.219 -245.104 83.9433 -197.234 PRESSAVG: 1903800 -6.48202 -15.9042 -34.5551 -15.9042 27.8106 -6.57713 -34.555 -6.57721 -0.411247 GPRESSAVG: 1903800 -6.05894 -16.7407 -34.0405 -15.9026 28.2786 -6.90615 -33.4843 -6.23982 -1.14489 TIMING: 1903800 CPU: 5948.85, 0.00311425/step Wall: 5948.85, 0.00311425/step, 2.67842 hours remaining, 234.312500 MB of memory in use. ENERGY: 1903800 4084.5163 20693.3069 14539.5438 223.4041 -203715.6147 3005.1708 0.0000 0.0000 52090.2993 -109079.3736 299.3637 -161169.6730 -108716.9174 299.3424 -122.0190 -94.5598 762542.2658 6.9725 7.0249 PRESSURE: 1904000 -25.63 -186.15 -21.964 -186.15 168.743 -26.3721 -21.9639 -26.3723 193.382 GPRESSURE: 1904000 168.339 -209.795 7.9151 -124.418 124.242 -133.091 -62.218 45.5882 115.477 PRESSAVG: 1904000 13.8048 25.8485 -29.025 25.8485 11.0362 -25.3641 -29.025 -25.3641 22.9408 GPRESSAVG: 1904000 13.8556 27.8637 -29.7412 23.2912 11.8305 -24.8157 -27.9402 -24.6648 22.8425 TIMING: 1904000 CPU: 5949.47, 0.00311935/step Wall: 5949.47, 0.00311935/step, 2.68264 hours remaining, 234.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1904000 4081.9522 20677.1759 14475.6447 250.5820 -203461.2541 2798.8595 0.0000 0.0000 52123.3553 -109053.6845 299.5536 -161177.0398 -108692.7462 299.5175 112.1649 136.0192 761635.4287 15.9273 16.1762 PRESSURE: 1904200 -43.2403 49.2643 213.826 49.2643 35.1294 146.869 213.826 146.869 -62.5103 GPRESSURE: 1904200 -1.61725 104.03 246.206 12.1539 69.6474 145.611 188.676 219.019 -46.4448 PRESSAVG: 1904200 33.1407 58.3576 -31.1213 58.3577 10.6417 14.9845 -31.1213 14.9845 -8.22692 GPRESSAVG: 1904200 33.988 58.5679 -30.5679 58.8165 8.89345 14.7073 -32.5057 13.5384 -7.58257 TIMING: 1904200 CPU: 5950.1, 0.00312845/step Wall: 5950.1, 0.00312845/step, 2.6903 hours remaining, 234.312500 MB of memory in use. ENERGY: 1904200 4097.9525 20587.2136 14532.7574 265.5429 -203186.7169 2728.8553 0.0000 0.0000 52126.2040 -108848.1912 299.5700 -160974.3952 -108473.7562 299.6955 -23.5404 7.1951 762627.3073 11.8518 11.7663 LDB: ============= START OF LOAD BALANCING ============== 5962.58 LDB: ============== END OF LOAD BALANCING =============== 5962.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5962.58 LDB: ============= START OF LOAD BALANCING ============== 5962.89 LDB: Largest compute 6985 load 0.030020 is 15.4% of average load 0.195055 LDB: Average compute 0.004418 is 2.3% of average load 0.195055 LDB: TIME 5962.89 LOAD: AVG 0.195055 MAX 0.21555 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.742 MB LDB: TIME 5962.89 LOAD: AVG 0.195055 MAX 0.21555 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.746 MB LDB: TIME 5962.89 LOAD: AVG 0.195055 MAX 0.21555 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.746 MB LDB: ============== END OF LOAD BALANCING =============== 5962.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5962.9 PRESSURE: 1904400 161.922 92.5073 208.859 92.5075 10.6559 -101.448 208.86 -101.448 519.14 GPRESSURE: 1904400 189.287 95.977 243.93 -27.5202 61.5522 -117.805 258.519 -151.439 533.77 PRESSAVG: 1904400 -48.7287 48.7036 29.2925 48.7036 24.7547 23.0094 29.2925 23.0094 18.0337 GPRESSAVG: 1904400 -50.2388 45.9138 29.6563 49.5729 24.8753 22.8139 30.9977 24.9994 18.6175 TIMING: 1904400 CPU: 5950.74, 0.00317364/step Wall: 5950.74, 0.00317364/step, 2.72898 hours remaining, 233.742188 MB of memory in use. ENERGY: 1904400 3996.2339 20594.9763 14490.7322 258.1475 -203274.6518 2906.2636 0.0000 0.0000 52147.9294 -108880.3689 299.6949 -161028.2983 -108523.4413 299.9479 230.5727 261.5364 763279.1314 -1.9801 -2.2487 PRESSURE: 1904600 63.8518 -28.921 -57.2274 -28.9208 101.796 -1.75994 -57.2272 -1.75908 260.857 GPRESSURE: 1904600 1.34536 187.685 -112.906 13.2478 243.219 -48.5058 -12.697 26.7758 258.019 PRESSAVG: 1904600 7.40919 91.7152 7.78252 91.7153 16.4417 -27.5089 7.78247 -27.5089 -21.3729 GPRESSAVG: 1904600 6.53551 90.4339 7.63443 91.7298 18.3762 -28.4734 8.27787 -29.0283 -22.3849 TIMING: 1904600 CPU: 5951.36, 0.00312085/step Wall: 5951.36, 0.00312085/step, 2.68341 hours remaining, 233.742188 MB of memory in use. ENERGY: 1904600 3934.5688 20646.7745 14452.5740 237.1016 -202891.2680 2607.6773 0.0000 0.0000 52226.9590 -108785.6127 300.1491 -161012.5717 -108431.1074 300.2569 142.1682 167.5277 763849.6582 0.8260 0.8423 PRESSURE: 1904800 -49.7399 60.0078 -20.714 60.0078 336.519 133.586 -20.7144 133.586 -29.3287 GPRESSURE: 1904800 38.3269 38.6872 36.5345 149.396 305.201 162.731 -1.93235 0.406704 11.9773 PRESSAVG: 1904800 -19.7436 4.28545 26.2211 4.28546 22.8217 14.1022 26.2211 14.1021 -8.53783 GPRESSAVG: 1904800 -19.3354 3.43746 26.7194 5.91355 21.7535 15.7503 24.58 14.5255 -8.04001 TIMING: 1904800 CPU: 5951.99, 0.00313087/step Wall: 5951.99, 0.00313087/step, 2.69185 hours remaining, 233.742188 MB of memory in use. ENERGY: 1904800 4091.7015 20702.7969 14449.8333 229.6840 -203086.9041 2671.1025 0.0000 0.0000 52430.0020 -108511.7839 301.3159 -160941.7859 -108152.6225 300.6815 85.8167 118.5017 762143.4222 -1.8199 -1.8740 PRESSURE: 1905000 -175.479 -59.8652 55.4251 -59.8656 -345.449 -209.435 55.4247 -209.435 -48.8729 GPRESSURE: 1905000 -161.683 -119.539 57.8458 110.417 -196.619 -135.987 9.62661 -119.852 -124.584 PRESSAVG: 1905000 5.02089 -9.31353 46.7242 -9.31353 14.8699 -1.09835 46.7242 -1.09832 24.4092 GPRESSAVG: 1905000 5.2542 -7.2692 46.7328 -10.0845 14.9956 -0.0605955 47.5715 0.406418 23.4939 TIMING: 1905000 CPU: 5952.61, 0.00311741/step Wall: 5952.61, 0.00311741/step, 2.6801 hours remaining, 233.742188 MB of memory in use. ENERGY: 1905000 4040.0917 20616.5765 14505.7923 266.3311 -202674.4763 2410.6388 0.0000 0.0000 52184.0852 -108650.9608 299.9027 -160835.0460 -108283.9204 301.2654 -189.9335 -160.9620 764519.5063 14.7667 14.5812 PRESSURE: 1905200 12.6533 -21.7518 -197.635 -21.7512 136.092 388.581 -197.635 388.581 -0.947336 GPRESSURE: 1905200 87.0354 -105.806 -81.841 81.2178 113.247 380.49 -161.172 408.603 43.9757 PRESSAVG: 1905200 -57.9965 4.89352 16.4302 4.89354 52.2546 17.4385 16.4303 17.4385 11.1708 GPRESSAVG: 1905200 -57.8126 4.65061 15.3734 6.36822 51.6054 16.7823 16.2074 14.9107 11.7519 TIMING: 1905200 CPU: 5953.23, 0.00311294/step Wall: 5953.23, 0.00311294/step, 2.67609 hours remaining, 233.742188 MB of memory in use. ENERGY: 1905200 3991.7468 20772.1743 14525.8370 258.0348 -203503.9254 2920.3262 0.0000 0.0000 52158.3494 -108877.4568 299.7548 -161035.8063 -108518.3418 300.5562 49.2661 81.4195 763347.7739 1.8096 1.8482 PRESSURE: 1905400 -184.469 -63.1079 60.0321 -63.1084 146.636 65.3921 60.0327 65.3921 60.7737 GPRESSURE: 1905400 -108.262 -107.041 -21.6134 -55.6468 167.443 83.5724 1.27033 185.131 43.9834 PRESSAVG: 1905400 3.24637 26.0292 19.7917 26.0291 10.5656 23.8117 19.7917 23.8117 10.4677 GPRESSAVG: 1905400 3.13314 25.4884 20.2565 26.1836 10.3102 24.0147 19.1822 24.6679 11.237 TIMING: 1905400 CPU: 5953.86, 0.00313207/step Wall: 5953.86, 0.00313207/step, 2.69236 hours remaining, 233.742188 MB of memory in use. ENERGY: 1905400 3910.6179 20627.3947 14560.6900 246.4642 -203259.4315 2720.8830 0.0000 0.0000 52264.4275 -108928.9542 300.3644 -161193.3817 -108549.9577 300.4916 7.6469 34.3881 763193.6064 8.0932 8.2268 PRESSURE: 1905600 -51.778 -71.7761 -130.614 -71.7773 -293.082 40.5809 -130.612 40.5812 -89.8252 GPRESSURE: 1905600 35.6563 -126.09 -128.63 -147.335 -244.696 41.2134 -149.917 -18.488 -150.639 PRESSAVG: 1905600 7.33292 46.8722 17.5864 46.8722 23.5699 -6.80987 17.5864 -6.80993 -2.58723 GPRESSAVG: 1905600 6.87211 47.654 18.8444 45.7279 23.9671 -6.19092 16.5702 -7.02227 -2.42086 TIMING: 1905600 CPU: 5954.48, 0.00312783/step Wall: 5954.48, 0.00312783/step, 2.68855 hours remaining, 233.742188 MB of memory in use. ENERGY: 1905600 4010.2316 20679.4301 14481.2988 248.6396 -202822.8881 2374.8056 0.0000 0.0000 52009.8989 -109018.5834 298.9016 -161028.4823 -108653.8483 300.2241 -144.8950 -119.8930 763370.2752 9.4385 9.4728 PRESSURE: 1905800 -30.0817 -127.091 288.99 -127.091 -153.844 19.6043 288.99 19.603 73.9476 GPRESSURE: 1905800 -66.919 -173.68 270.454 -86.5999 -59.2169 -22.3828 357.027 -68.3573 110.333 PRESSAVG: 1905800 9.02833 -1.82788 -26.6612 -1.82784 5.31105 31.3038 -26.6611 31.3038 1.94519 GPRESSAVG: 1905800 8.44647 -2.48204 -28.3011 -1.19875 6.08292 30.8487 -24.0507 30.1233 1.98057 TIMING: 1905800 CPU: 5955.11, 0.00312544/step Wall: 5955.11, 0.00312544/step, 2.68631 hours remaining, 233.742188 MB of memory in use. ENERGY: 1905800 4092.0390 20590.0283 14501.3049 267.1614 -203440.3488 2847.2603 0.0000 0.0000 52102.2656 -109040.2893 299.4324 -161142.5549 -108667.8052 299.5565 -36.6595 -5.2676 763496.7430 5.4282 5.5033 PRESSURE: 1906000 -107.771 -184.381 -1.27174 -184.381 -111.955 50.0373 -1.27295 50.037 -211.387 GPRESSURE: 1906000 1.48722 -19.7678 -23.9097 -111.564 -130.191 66.7428 68.7775 -110.632 -240.63 PRESSAVG: 1906000 4.88209 -12.7831 28.9352 -12.7831 10.9341 14.1197 28.9353 14.1197 10.0836 GPRESSAVG: 1906000 5.17618 -10.041 28.1681 -14.2655 11.9989 13.3078 28.4391 15.6498 8.62186 TIMING: 1906000 CPU: 5955.73, 0.00312808/step Wall: 5955.73, 0.00312808/step, 2.68841 hours remaining, 233.742188 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: 1906000 4025.1457 20388.0817 14534.9399 232.2664 -203230.3542 2587.9454 0.0000 0.0000 52447.1342 -109014.8410 301.4144 -161461.9752 -108636.5460 299.6620 -143.7045 -123.1112 762490.4604 8.6333 8.5990 PRESSURE: 1906200 339.749 -111.283 -82.2236 -111.283 -264.543 -200.639 -82.2235 -200.638 152.029 GPRESSURE: 1906200 296.589 -145.077 -118.17 -214.812 -172.102 -251.26 22.4598 -180.641 183.963 PRESSAVG: 1906200 55.799 31.3398 53.4868 31.3398 -37.9537 -18.4085 53.4868 -18.4085 -6.33345 GPRESSAVG: 1906200 55.71 29.0406 55.1447 32.2784 -38.8846 -18.622 52.3932 -18.598 -5.25054 TIMING: 1906200 CPU: 5956.36, 0.00311789/step Wall: 5956.36, 0.00311789/step, 2.67948 hours remaining, 233.742188 MB of memory in use. ENERGY: 1906200 3988.6624 20633.6808 14509.4676 253.8561 -203083.3502 2762.6106 0.0000 0.0000 51878.6683 -109056.4045 298.1474 -160935.0727 -108686.9877 299.7440 75.7451 102.8166 763225.8104 3.8373 3.8583 PRESSURE: 1906400 -137.565 -75.3838 -41.8225 -75.3834 -226.082 -51.6005 -41.8223 -51.6003 -242.361 GPRESSURE: 1906400 -56.1809 -143.754 -76.9854 -5.91517 -237.686 -59.6435 37.1832 -14.0018 -237.543 PRESSAVG: 1906400 28.3461 68.8522 -59.206 68.8523 -25.584 67.3179 -59.206 67.318 0.918094 GPRESSAVG: 1906400 28.1473 69.2015 -59.6075 70.2426 -25.1094 66.8737 -58.034 68.2028 1.34316 TIMING: 1906400 CPU: 5956.99, 0.00313692/step Wall: 5956.99, 0.00313692/step, 2.69566 hours remaining, 233.742188 MB of memory in use. ENERGY: 1906400 3978.7753 20864.4049 14412.8117 260.2289 -202877.0563 2378.3966 0.0000 0.0000 52098.0947 -108884.3442 299.4085 -160982.4389 -108521.3944 299.0287 -202.0026 -177.1367 763012.3549 1.2267 1.4603 PRESSURE: 1906600 -17.4415 -123.414 -138.248 -123.414 78.2447 36.9201 -138.247 36.9192 313.812 GPRESSURE: 1906600 -8.64457 -92.2691 -5.19867 -174.11 145.494 -48.6557 -64.0736 54.6409 322.446 PRESSAVG: 1906600 4.95992 9.5133 37.2884 9.51329 -0.127715 61.4911 37.2884 61.4911 16.9858 GPRESSAVG: 1906600 4.97723 11.1447 36.8026 8.06006 -0.236884 61.2361 36.6152 60.485 17.2909 TIMING: 1906600 CPU: 5957.61, 0.00312256/step Wall: 5957.61, 0.00312256/step, 2.68315 hours remaining, 233.742188 MB of memory in use. ENERGY: 1906600 4046.4695 20829.9445 14478.7048 253.9190 -203224.7861 2540.3969 0.0000 0.0000 52242.1689 -108833.1825 300.2365 -161075.3514 -108474.2551 300.1918 124.8717 153.0983 763618.3264 7.2727 7.3438 PRESSURE: 1906800 118.688 49.9752 39.913 49.9752 -245.094 -180.553 39.9142 -180.553 -319.965 GPRESSURE: 1906800 121.34 17.9341 -23.3607 -83.0027 -224.477 -147.181 135.499 -260.734 -255.041 PRESSAVG: 1906800 10.1892 -24.5568 38.1703 -24.5569 -48.1932 21.3926 38.1703 21.3926 -5.64283 GPRESSAVG: 1906800 9.34914 -24.9478 39.3426 -24.8165 -47.3778 23.1835 38.2348 21.7946 -5.46452 TIMING: 1906800 CPU: 5958.23, 0.00312451/step Wall: 5958.23, 0.00312451/step, 2.68465 hours remaining, 233.742188 MB of memory in use. ENERGY: 1906800 4002.0458 20767.8609 14471.4063 249.6846 -202285.8068 2138.2677 0.0000 0.0000 51995.5030 -108661.0386 298.8189 -160656.5415 -108302.7168 299.9152 -148.7900 -119.3926 764213.8156 -14.5490 -14.4977 PRESSURE: 1907000 136.556 -17.1657 -104.492 -17.1653 373.315 -181.883 -104.491 -181.882 399.735 GPRESSURE: 1907000 229.264 89.7474 -93.2223 -93.0201 302.634 -133.736 -24.2771 -273.717 463.415 PRESSAVG: 1907000 55.6742 -6.09037 58.6564 -6.0903 -45.5408 -12.0002 58.6563 -12.0002 18.0286 GPRESSAVG: 1907000 56.9589 -7.6181 57.1718 -4.48296 -47.2203 -12.6295 58.6676 -10.5163 17.975 TIMING: 1907000 CPU: 5958.86, 0.00310829/step Wall: 5958.86, 0.00310829/step, 2.67054 hours remaining, 233.742188 MB of memory in use. ENERGY: 1907000 4018.9257 20726.7167 14533.6075 219.6722 -203391.4374 2787.8649 0.0000 0.0000 52381.1329 -108723.5175 301.0351 -161104.6504 -108361.9053 300.4900 303.2021 331.7711 761475.3182 9.3873 9.2379 PRESSURE: 1907200 91.6559 -2.07362 -63.0753 -2.07316 -106.546 -238.244 -63.075 -238.245 -54.1689 GPRESSURE: 1907200 212.655 -39.3352 -58.964 13.695 -104.974 -183.428 -88.9819 -242.245 -90.8817 PRESSAVG: 1907200 19.9644 11.0783 38.862 11.0783 -2.71047 3.36441 38.8621 3.36444 6.5738 GPRESSAVG: 1907200 18.4619 10.4228 39.0024 11.1412 -0.96075 4.69983 37.7374 3.94739 7.10945 TIMING: 1907200 CPU: 5959.48, 0.00311256/step Wall: 5959.48, 0.00311256/step, 2.67404 hours remaining, 233.742188 MB of memory in use. ENERGY: 1907200 4004.5011 20707.9235 14508.9419 249.0904 -203126.6236 2854.1423 0.0000 0.0000 51846.9034 -108955.1211 297.9649 -160802.0244 -108593.2923 299.8705 -23.0195 5.5997 763728.4982 7.9426 8.2035 PRESSURE: 1907400 344.107 -242.323 -63.8905 -242.323 -46.119 36.5235 -63.8913 36.5233 -143.873 GPRESSURE: 1907400 296.711 -256.361 -107.031 -139.284 1.17242 -0.622371 -1.66572 56.4472 -46.9443 PRESSAVG: 1907400 20.5491 26.1682 -54.7303 26.1682 -36.7279 25.2552 -54.7302 25.2552 -24.7386 GPRESSAVG: 1907400 20.9174 27.9157 -55.8275 24.219 -36.6769 25.1533 -53.7795 24.6782 -25.3475 TIMING: 1907400 CPU: 5960.1, 0.00311542/step Wall: 5960.1, 0.00311542/step, 2.67632 hours remaining, 233.742188 MB of memory in use. ENERGY: 1907400 4046.7920 20611.9498 14516.5635 248.0753 -202681.2236 2516.4892 0.0000 0.0000 52074.0542 -108667.2997 299.2703 -160741.3538 -108300.8840 299.5459 51.3715 83.6463 762797.6950 -13.6391 -13.7023 PRESSURE: 1907600 -133.139 -140.473 -149.934 -140.474 5.63691 102.059 -149.934 102.059 -112.248 GPRESSURE: 1907600 -46.5717 13.8535 -156.149 -187.385 -15.0071 103.696 -83.8579 136.826 -109.158 PRESSAVG: 1907600 53.5852 35.3678 -14.4101 35.3679 -53.5348 4.7826 -14.4101 4.7826 6.65449 GPRESSAVG: 1907600 54.6366 34.8765 -12.2616 34.766 -54.4414 4.25133 -15.773 4.47932 6.47484 TIMING: 1907600 CPU: 5960.73, 0.00313296/step Wall: 5960.73, 0.00313296/step, 2.69122 hours remaining, 233.742188 MB of memory in use. ENERGY: 1907600 4028.0120 20566.6803 14521.0194 244.4822 -202793.8933 2458.3275 0.0000 0.0000 52068.9592 -108906.4127 299.2410 -160975.3720 -108546.7535 299.3125 -79.9166 -56.9123 763523.4954 2.2350 2.2233 PRESSURE: 1907800 141.828 137.527 -87.5063 137.528 85.6718 213.675 -87.5063 213.674 -53.4634 GPRESSURE: 1907800 116.793 110.787 29.7439 120.439 83.8006 233.277 -140.347 252.418 34.6964 PRESSAVG: 1907800 -26.9158 31.2739 -29.4171 31.2739 11.1302 17.5381 -29.417 17.5381 3.74183 GPRESSAVG: 1907800 -26.5781 28.8963 -29.48 33.1448 11.6374 17.7698 -28.4224 18.5521 3.11903 TIMING: 1907800 CPU: 5961.35, 0.00312777/step Wall: 5961.35, 0.00312777/step, 2.68658 hours remaining, 233.742188 MB of memory in use. ENERGY: 1907800 3959.3109 20619.6953 14461.8547 249.2323 -202963.2181 2490.1458 0.0000 0.0000 52151.6309 -109031.3481 299.7161 -161182.9791 -108667.0762 299.0972 58.0120 78.4300 763014.1370 -4.0146 -3.9406 PRESSURE: 1908000 -36.0076 -77.3431 98.4205 -77.3428 -182.494 -71.4229 98.4207 -71.4225 51.0476 GPRESSURE: 1908000 -86.3072 3.50853 141.766 -116.424 -100.252 -147.715 260.776 -148.873 112.817 PRESSAVG: 1908000 -21.436 3.15865 -54.9626 3.15865 35.5804 55.4085 -54.9626 55.4085 15.3057 GPRESSAVG: 1908000 -21.9324 5.29659 -55.5458 2.27464 34.8704 55.6155 -55.7239 54.6502 16.4882 TIMING: 1908000 CPU: 5961.98, 0.00311075/step Wall: 5961.98, 0.00311075/step, 2.67179 hours remaining, 233.742188 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: 1908000 3989.9258 20702.1784 14561.5990 254.2929 -203232.2190 2734.4939 0.0000 0.0000 51852.5052 -109137.2237 297.9971 -160989.7289 -108772.6369 299.2143 -55.8180 -24.5809 763336.1609 9.8167 9.8087 PRESSURE: 1908200 66.101 200.149 -188.283 200.15 6.82198 3.05106 -188.283 3.05063 242.419 GPRESSURE: 1908200 131.75 272.795 -180.481 187.755 -33.8932 -31.4201 -245.902 -100.357 303.372 PRESSAVG: 1908200 -47.8997 54.1866 -71.6463 54.1866 6.13406 -7.27816 -71.6463 -7.27808 -0.364194 GPRESSAVG: 1908200 -46.3539 54.8546 -71.3426 53.7949 6.32196 -6.90233 -70.1399 -8.84357 -2.34542 TIMING: 1908200 CPU: 5962.6, 0.00312945/step Wall: 5962.6, 0.00312945/step, 2.68768 hours remaining, 233.742188 MB of memory in use. ENERGY: 1908200 4042.8681 20571.5269 14563.2433 244.2712 -203549.0699 2838.0052 0.0000 0.0000 52231.7841 -109057.3711 300.1768 -161289.1552 -108704.1423 299.1411 105.1141 133.7429 762974.9057 -14.0433 -14.1258 LDB: ============= START OF LOAD BALANCING ============== 5975.08 LDB: ============== END OF LOAD BALANCING =============== 5975.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5975.08 LDB: ============= START OF LOAD BALANCING ============== 5975.4 LDB: Largest compute 6985 load 0.029611 is 15.2% of average load 0.195138 LDB: Average compute 0.004392 is 2.3% of average load 0.195138 LDB: TIME 5975.4 LOAD: AVG 0.195138 MAX 0.216874 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.742 MB LDB: TIME 5975.4 LOAD: AVG 0.195138 MAX 0.216874 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.742 MB LDB: TIME 5975.4 LOAD: AVG 0.195138 MAX 0.216874 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.742 MB LDB: ============== END OF LOAD BALANCING =============== 5975.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5975.41 PRESSURE: 1908400 80.5157 -126.885 61.5641 -126.885 -25.4551 87.2238 61.5632 87.2245 -41.5461 GPRESSURE: 1908400 38.6099 -145.721 19.3649 -101.851 -2.74627 144.436 108.406 120.157 74.6818 PRESSAVG: 1908400 44.3668 27.9067 -2.55058 27.9067 -22.3649 -17.4028 -2.55065 -17.4028 -8.94786 GPRESSAVG: 1908400 43.7565 26.3669 -1.46095 29.2113 -21.7044 -17.9017 -4.3799 -16.721 -8.83739 TIMING: 1908400 CPU: 5963.24, 0.00319285/step Wall: 5963.24, 0.00319285/step, 2.74195 hours remaining, 236.304688 MB of memory in use. ENERGY: 1908400 3948.0661 20745.4553 14503.4135 251.7014 -203215.1936 2549.0330 0.0000 0.0000 52052.3870 -109165.1374 299.1458 -161217.5244 -108807.6253 299.6668 4.5048 36.8485 761531.3683 4.3513 4.4049 PRESSURE: 1908600 333.085 -114.107 -203.775 -114.107 147.306 121.936 -203.774 121.934 -189.923 GPRESSURE: 1908600 371.504 -162.197 -182.467 -27.3286 192.187 125.506 -330.234 199.316 -194.056 PRESSAVG: 1908600 -14.0879 62.4103 -20.7169 62.4103 43.1424 17.0492 -20.7169 17.0492 14.3482 GPRESSAVG: 1908600 -14.3086 64.2298 -21.3624 61.841 43.1241 16.819 -20.2272 16.4265 14.5858 TIMING: 1908600 CPU: 5963.86, 0.00312026/step Wall: 5963.86, 0.00312026/step, 2.67943 hours remaining, 236.375000 MB of memory in use. ENERGY: 1908600 3988.2472 20567.5908 14506.3707 248.8315 -203605.2103 2849.7065 0.0000 0.0000 52216.5069 -109227.9568 300.0890 -161444.4637 -108871.1360 299.2233 96.8225 123.2116 762223.5687 14.4676 14.4671 PRESSURE: 1908800 214.162 7.32875 -90.2615 7.32743 -90.6947 -101.64 -90.2617 -101.639 221.468 GPRESSURE: 1908800 282.049 -85.5951 -55.8758 33.7954 -68.0041 -177.231 38.168 -49.166 216.741 PRESSAVG: 1908800 -4.14957 63.5681 -14.9164 63.5681 -2.03171 4.95566 -14.9164 4.95574 -14.0612 GPRESSAVG: 1908800 -5.0521 63.7259 -15.0044 61.9974 -2.15864 4.87419 -14.5729 5.1557 -13.3148 TIMING: 1908800 CPU: 5964.49, 0.00312221/step Wall: 5964.49, 0.00312221/step, 2.68094 hours remaining, 236.375000 MB of memory in use. ENERGY: 1908800 3908.0358 20550.6976 14576.2949 255.4624 -202929.1615 2493.0150 0.0000 0.0000 52051.0463 -109094.6096 299.1381 -161145.6558 -108720.5231 299.1451 114.9784 143.5954 762317.1327 -6.7475 -6.8418 PRESSURE: 1909000 -201.759 136.227 43.7516 136.227 239.714 82.0978 43.7518 82.0979 157.466 GPRESSURE: 1909000 -126.515 194.052 -17.6781 87.0853 232.061 31.5699 174.247 204.808 152.619 PRESSAVG: 1909000 32.8618 48.7111 -31.8582 48.7112 3.23386 14.8436 -31.8582 14.8436 -16.4559 GPRESSAVG: 1909000 33.0776 45.1299 -33.3233 50.2475 2.82381 15.3835 -31.8723 16.0227 -16.2766 TIMING: 1909000 CPU: 5965.11, 0.00312573/step Wall: 5965.11, 0.00312573/step, 2.68379 hours remaining, 236.375000 MB of memory in use. ENERGY: 1909000 4070.7529 20513.3505 14503.0322 228.4914 -203079.5669 2628.2526 0.0000 0.0000 51972.3966 -109163.2906 298.6861 -161135.6872 -108793.5835 299.4650 65.1405 86.0549 763555.8836 6.5466 6.5416 PRESSURE: 1909200 179.51 27.175 -46.2314 27.1745 203.257 -59.6804 -46.2309 -59.6811 -146.989 GPRESSURE: 1909200 225.407 -20.6681 -16.0722 -133.158 248.597 -102.383 -75.9572 -110.23 -171.448 PRESSAVG: 1909200 69.7383 -14.166 -22.2248 -14.1661 -23.3153 -26.242 -22.2248 -26.242 3.34826 GPRESSAVG: 1909200 69.9098 -12.8834 -20.7064 -15.6025 -24.0281 -26.465 -20.9213 -27.475 3.66759 TIMING: 1909200 CPU: 5965.74, 0.00312545/step Wall: 5965.74, 0.00312545/step, 2.68338 hours remaining, 236.375000 MB of memory in use. ENERGY: 1909200 3981.3002 20706.6578 14532.2805 238.3653 -203527.7639 2808.1171 0.0000 0.0000 51978.1012 -109282.9419 298.7189 -161261.0431 -108929.1089 298.7919 78.5928 100.8521 761840.1833 16.5904 16.5164 PRESSURE: 1909400 -248.694 -58.1477 145.614 -58.1473 -151.307 -231.395 145.615 -231.394 182.176 GPRESSURE: 1909400 -148.003 -87.2369 144.857 -73.1994 -68.2352 -187.857 58.9888 -303.336 81.0542 PRESSAVG: 1909400 83.3484 -47.698 -43.9753 -47.698 -19.3665 -15.9443 -43.9753 -15.9443 7.22765 GPRESSAVG: 1909400 82.5477 -47.8608 -43.7483 -47.3999 -17.986 -15.2102 -44.3335 -16.6992 6.76546 TIMING: 1909400 CPU: 5966.37, 0.00313086/step Wall: 5966.37, 0.00313086/step, 2.68784 hours remaining, 236.375000 MB of memory in use. ENERGY: 1909400 4039.3718 20401.4467 14518.0329 242.1862 -203016.9313 2284.2598 0.0000 0.0000 52154.7867 -109376.8472 299.7343 -161531.6339 -109017.5920 298.9553 -72.6082 -45.0612 762742.6800 23.7365 23.7757 PRESSURE: 1909600 -245.55 10.3422 -175.126 10.3422 -100.179 127.591 -175.126 127.592 -357.567 GPRESSURE: 1909600 -162.751 -23.6916 -173.721 22.2326 -99.3655 100.603 -65.0469 145.715 -352.271 PRESSAVG: 1909600 -14.3809 21.8525 -7.93798 21.8525 10.42 29.3059 -7.93797 29.3059 0.146808 GPRESSAVG: 1909600 -13.0423 23.4786 -9.52874 21.8684 10.1368 28.8599 -8.75402 31.7568 -0.657981 TIMING: 1909600 CPU: 5966.99, 0.00313093/step Wall: 5966.99, 0.00313093/step, 2.68773 hours remaining, 236.375000 MB of memory in use. ENERGY: 1909600 4020.6123 20450.0175 14492.1232 240.2751 -202985.4134 2357.6156 0.0000 0.0000 52012.4642 -109412.3054 298.9163 -161424.7696 -109039.9153 298.8678 -234.4320 -204.7958 763368.8047 -1.2714 -1.1878 PRESSURE: 1909800 155.752 124.075 -186.923 124.074 -65.1134 -20.496 -186.923 -20.4956 -50.5185 GPRESSURE: 1909800 210.223 160.651 -117.561 174.291 -23.1099 -67.1346 -127.995 42.1225 -79.0912 PRESSAVG: 1909800 -17.1253 54.4968 -39.3919 54.4968 -0.463845 -28.4756 -39.3919 -28.4756 -1.30061 GPRESSAVG: 1909800 -17.5709 53.1832 -38.2378 55.332 -1.1658 -29.0041 -37.7459 -29.0804 -0.402797 TIMING: 1909800 CPU: 5967.62, 0.00312898/step Wall: 5967.62, 0.00312898/step, 2.68588 hours remaining, 236.375000 MB of memory in use. ENERGY: 1909800 4003.2962 20584.5076 14505.8923 229.0388 -203416.6998 2866.4541 0.0000 0.0000 52070.9002 -109156.6107 299.2522 -161227.5109 -108808.7944 299.1269 13.3733 36.0072 763445.1490 -6.2966 -6.3798 PRESSURE: 1910000 -189.135 -106.313 -141.698 -106.313 -175.533 22.9052 -141.698 22.9039 69.6777 GPRESSURE: 1910000 -166.563 -68.5983 -22.7892 -84.006 -59.9796 84.8867 -238.947 1.29816 22.0037 PRESSAVG: 1910000 -18.7133 16.5694 -33.3272 16.5693 31.8808 23.3321 -33.3271 23.3321 -10.8033 GPRESSAVG: 1910000 -18.3315 15.9082 -32.6697 17.7362 32.253 25.1242 -36.3751 21.7808 -11.6939 TIMING: 1910000 CPU: 5968.24, 0.00311457/step Wall: 5968.24, 0.00311457/step, 2.67334 hours remaining, 236.375000 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: 1910000 3917.9768 20496.7893 14390.5714 241.7036 -203306.9732 2687.7680 0.0000 0.0000 52425.9011 -109146.2629 301.2924 -161572.1640 -108780.6200 299.0363 -98.3303 -68.1797 763817.8603 0.7881 0.7425 PRESSURE: 1910200 36.8483 -43.8297 -183.414 -43.8294 -103.916 342.249 -183.415 342.248 452.096 GPRESSURE: 1910200 212.275 18.4887 -256.031 -1.4851 -91.5645 302.498 -132.771 187.154 339.051 PRESSAVG: 1910200 -0.789053 -62.6075 -76.5293 -62.6075 42.1244 -15.4278 -76.5293 -15.4279 -14.0473 GPRESSAVG: 1910200 -1.34143 -62.0075 -77.0933 -64.4831 42.4546 -16.5856 -73.8116 -13.2686 -13.442 TIMING: 1910200 CPU: 5968.87, 0.00312254/step Wall: 5968.87, 0.00312254/step, 2.68001 hours remaining, 236.375000 MB of memory in use. ENERGY: 1910200 3895.9674 20551.8829 14486.8529 259.0475 -203157.8845 2668.3744 0.0000 0.0000 52185.3631 -109110.3963 299.9100 -161295.7594 -108748.6615 298.8960 128.3429 153.2540 762193.2199 9.0960 9.2237 PRESSURE: 1910400 -68.931 -72.768 233.557 -72.7679 -189.251 -214.559 233.557 -214.56 264.154 GPRESSURE: 1910400 -31.928 48.4728 266.776 -38.5001 -210.459 -147.694 345.46 -134.886 317.964 PRESSAVG: 1910400 -13.0522 46.3865 80.3908 46.3865 14.4212 -1.18666 80.3908 -1.18674 -4.36664 GPRESSAVG: 1910400 -12.3358 47.2631 79.8325 48.5316 13.6812 -0.249246 78.7184 -1.5844 -3.8759 TIMING: 1910400 CPU: 5969.49, 0.00312111/step Wall: 5969.49, 0.00312111/step, 2.67861 hours remaining, 236.375000 MB of memory in use. ENERGY: 1910400 3936.7475 20553.3785 14481.8283 258.2542 -203150.1947 2704.7174 0.0000 0.0000 52189.0007 -109026.2681 299.9309 -161215.2688 -108664.4228 298.9762 1.9906 25.1922 764299.4279 -0.9992 -0.8435 PRESSURE: 1910600 -36.2118 124.064 -47.3849 124.064 -248.453 -188.337 -47.3858 -188.337 279.561 GPRESSURE: 1910600 -106.326 -5.2258 -58.4745 204.161 -121.53 -137.507 -68.0323 -50.1996 312.457 PRESSAVG: 1910600 -35.2139 -9.21863 3.093 -9.21861 45.5036 21.0363 3.09296 21.0362 -5.46992 GPRESSAVG: 1910600 -35.0131 -12.3676 3.04679 -9.96282 46.2189 19.462 2.79263 19.2916 -6.11034 TIMING: 1910600 CPU: 5970.11, 0.00311754/step Wall: 5970.11, 0.00311754/step, 2.67537 hours remaining, 236.375000 MB of memory in use. ENERGY: 1910600 3926.7226 20477.0973 14505.1502 252.1681 -202845.8342 2656.6909 0.0000 0.0000 51996.8793 -109031.1258 298.8268 -161028.0051 -108673.6291 299.1953 -1.7011 28.2005 763988.5555 1.6066 1.6985 PRESSURE: 1910800 114.687 -11.6175 -175.945 -11.618 397.375 -9.67769 -175.944 -9.6779 215.444 GPRESSURE: 1910800 268.971 -69.6294 -113.016 -49.7958 302.257 -12.8359 -102.984 36.2412 232.538 PRESSAVG: 1910800 -46.5924 11.1951 11.5903 11.1951 46.9259 46.6571 11.5903 46.6571 -4.31323 GPRESSAVG: 1910800 -46.4367 11.7846 10.523 11.6616 46.4913 47.5845 12.9002 49.373 -4.18531 TIMING: 1910800 CPU: 5970.73, 0.003108/step Wall: 5970.73, 0.003108/step, 2.66701 hours remaining, 236.375000 MB of memory in use. ENERGY: 1910800 3961.3587 20599.1280 14615.0497 258.8110 -203079.7276 2827.4566 0.0000 0.0000 51897.6334 -108920.2902 298.2564 -160817.9236 -108563.7021 299.4599 242.5020 267.9220 762916.1253 -1.3266 -1.3769 PRESSURE: 1911000 143.861 -75.8966 273.757 -75.8961 -142.973 277.538 273.757 277.539 413.168 GPRESSURE: 1911000 140.435 -114.27 157.091 -18.5293 -62.765 246.498 241.856 210.942 437.85 PRESSAVG: 1911000 22.1497 -8.46796 -35.0131 -8.46799 -10.0935 41.6021 -35.013 41.6021 3.3049 GPRESSAVG: 1911000 23.2806 -7.55194 -34.4938 -9.88003 -9.67335 42.5749 -36.7138 39.1116 1.93167 TIMING: 1911000 CPU: 5971.36, 0.00311711/step Wall: 5971.36, 0.00311711/step, 2.67466 hours remaining, 236.375000 MB of memory in use. ENERGY: 1911000 3988.4526 20539.0951 14577.0713 232.2374 -203514.5116 2889.6356 0.0000 0.0000 52104.3823 -109183.6372 299.4446 -161288.0196 -108819.4881 299.3798 138.0187 171.8401 763224.0389 5.1204 5.1796 PRESSURE: 1911200 326.423 86.5647 -167.947 86.5643 -114.441 -64.7715 -167.947 -64.7708 -254.743 GPRESSURE: 1911200 343.649 70.6113 -180.736 105.784 -28.8927 -31.9504 -129.156 -166.762 -276.211 PRESSAVG: 1911200 -36.6318 4.96719 85.99 4.96718 86.1029 9.6366 85.99 9.63668 -5.68138 GPRESSAVG: 1911200 -37.1963 5.58642 86.3609 7.10838 85.7654 9.37629 85.398 10.075 -4.77937 TIMING: 1911200 CPU: 5971.98, 0.0031076/step Wall: 5971.98, 0.0031076/step, 2.66632 hours remaining, 236.375000 MB of memory in use. ENERGY: 1911200 3896.1348 20522.2083 14546.7045 247.4649 -203534.5383 2987.1523 0.0000 0.0000 52210.9098 -109123.9637 300.0568 -161334.8736 -108770.1074 298.9062 -14.2536 12.8485 762933.4764 14.5966 14.5966 PRESSURE: 1911400 -143.731 99.6514 -64.7218 99.6505 -130.336 -99.8431 -64.7226 -99.8441 -388.828 GPRESSURE: 1911400 -113.826 21.1586 -121.864 -12.11 -107.559 -105.39 -36.2053 -158.66 -364.397 PRESSAVG: 1911400 -41.5178 20.2191 4.97953 20.2192 68.5681 35.6168 4.9795 35.6168 -17.6211 GPRESSAVG: 1911400 -41.1454 19.9742 6.78566 18.5356 68.692 33.7883 6.23234 34.8488 -17.5123 TIMING: 1911400 CPU: 5972.6, 0.0031085/step Wall: 5972.6, 0.0031085/step, 2.66692 hours remaining, 236.375000 MB of memory in use. ENERGY: 1911400 4011.1217 20406.9066 14537.4602 249.4163 -202988.4757 2586.2668 0.0000 0.0000 51992.9046 -109204.3994 298.8039 -161197.3040 -108837.5168 299.2432 -220.9651 -195.2608 763491.7421 3.1431 3.3448 PRESSURE: 1911600 -109.718 38.2244 -61.0462 38.224 88.0087 -114.313 -61.0459 -114.312 3.24418 GPRESSURE: 1911600 -73.5555 43.0037 -29.8829 -3.97928 166.815 -76.3556 -119.176 -119.723 -24.4655 PRESSAVG: 1911600 -53.3531 5.58562 48.8148 5.58554 23.1235 -13.7422 48.8148 -13.7422 8.59634 GPRESSAVG: 1911600 -53.7028 8.02405 48.5267 2.4328 24.3262 -12.6725 46.5492 -13.3751 7.99479 TIMING: 1911600 CPU: 5973.23, 0.00311994/step Wall: 5973.23, 0.00311994/step, 2.67656 hours remaining, 236.375000 MB of memory in use. ENERGY: 1911600 3989.7222 20385.9256 14535.9000 262.6491 -203422.8450 2752.1183 0.0000 0.0000 52013.2822 -109483.2476 298.9210 -161496.5298 -109120.4926 298.3710 -6.1552 22.9313 762420.8870 -7.2111 -7.1273 PRESSURE: 1911800 -44.6891 -132.522 -13.6267 -132.523 -151.3 151.83 -13.6261 151.83 54.4859 GPRESSURE: 1911800 -58.443 14.9229 59.5139 -121.13 -106.301 142.582 7.56246 165.181 120.826 PRESSAVG: 1911800 -59.1788 -12.6747 1.39734 -12.6748 54.425 -35.1422 1.39734 -35.1422 5.33978 GPRESSAVG: 1911800 -58.5633 -15.2587 0.18215 -8.0534 52.9481 -34.3601 3.02871 -35.5688 6.44098 TIMING: 1911800 CPU: 5973.85, 0.00312018/step Wall: 5973.85, 0.00312017/step, 2.67659 hours remaining, 236.375000 MB of memory in use. ENERGY: 1911800 3955.1271 20448.2564 14509.6864 242.9168 -203006.0071 2544.9527 0.0000 0.0000 52148.6262 -109156.4414 299.6989 -161305.0676 -108794.1290 299.0917 -47.1678 -14.6394 763350.8771 0.1953 0.2753 PRESSURE: 1912000 -200.988 -53.8217 -126.846 -53.8227 195.498 -209.268 -126.846 -209.27 241.619 GPRESSURE: 1912000 -185.333 -116.048 -149.86 12.2731 295.607 -197.3 -195.297 -173.142 194.996 PRESSAVG: 1912000 -64.6684 -30.4169 42.7779 -30.4169 36.81 -12.2284 42.7779 -12.2285 0.207739 GPRESSAVG: 1912000 -64.6069 -29.6931 43.9977 -31.1002 36.9376 -13.0122 41.1152 -10.8189 0.790602 TIMING: 1912000 CPU: 5974.48, 0.00313119/step Wall: 5974.48, 0.00313119/step, 2.68586 hours remaining, 236.375000 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: 1912000 3946.7355 20481.7550 14519.4725 254.4361 -202983.5290 2679.1782 0.0000 0.0000 52005.2051 -109096.7465 298.8746 -161101.9516 -108724.7896 298.9365 78.7098 101.7567 763850.3999 -9.2169 -8.9596 PRESSURE: 1912200 -31.3817 110.04 239.562 110.04 -241.028 -63.6282 239.562 -63.6282 -45.7586 GPRESSURE: 1912200 -75.9572 58.9852 154.329 115.884 -128.099 -29.9911 313.321 -121.563 -41.8248 PRESSAVG: 1912200 -11.8879 -32.5966 -42.4819 -32.5966 30.1085 14.4084 -42.482 14.4084 -25.7413 GPRESSAVG: 1912200 -13.7367 -31.0023 -44.6552 -32.2074 31.7731 13.6145 -40.6733 13.7902 -26.1389 TIMING: 1912200 CPU: 5975.1, 0.00312742/step Wall: 5975.1, 0.00312742/step, 2.68246 hours remaining, 236.375000 MB of memory in use. ENERGY: 1912200 4014.0541 20476.3661 14589.5900 251.4165 -203144.0109 2571.3675 0.0000 0.0000 52174.7577 -109066.4590 299.8490 -161241.2167 -108696.8200 299.0975 -106.0561 -81.9605 764807.3451 -2.5069 -2.7008 LDB: ============= START OF LOAD BALANCING ============== 5987.58 LDB: ============== END OF LOAD BALANCING =============== 5987.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5987.58 LDB: ============= START OF LOAD BALANCING ============== 5987.89 LDB: Largest compute 6998 load 0.031230 is 16.0% of average load 0.195004 LDB: Average compute 0.004395 is 2.3% of average load 0.195004 LDB: TIME 5987.9 LOAD: AVG 0.195004 MAX 0.214298 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 232.824 MB LDB: TIME 5987.9 LOAD: AVG 0.195004 MAX 0.214298 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.824 MB LDB: TIME 5987.9 LOAD: AVG 0.195004 MAX 0.214298 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.824 MB LDB: ============== END OF LOAD BALANCING =============== 5987.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5987.91 PRESSURE: 1912400 142.295 51.0657 247.701 51.0658 167.028 -0.778311 247.7 -0.778635 -124.103 GPRESSURE: 1912400 138.589 64.9155 226.443 -24.9826 182.828 -8.28167 185.492 106.465 -59.2003 PRESSAVG: 1912400 -28.5168 53.9952 50.8445 53.9952 -18.8024 45.0622 50.8446 45.0622 5.59955 GPRESSAVG: 1912400 -27.1992 54.7728 51.5824 52.0744 -20.0315 46.8243 50.0777 46.6279 5.26282 TIMING: 1912400 CPU: 5975.74, 0.0031937/step Wall: 5975.74, 0.0031937/step, 2.73913 hours remaining, 234.109375 MB of memory in use. ENERGY: 1912400 3943.5079 20535.5800 14593.6000 251.8806 -203279.0566 2890.0955 0.0000 0.0000 52051.5946 -109012.7980 299.1412 -161064.3926 -108657.3836 299.1502 61.7399 87.4057 763881.4227 -13.9065 -13.9893 PRESSURE: 1912600 -20.2317 76.0489 73.3032 76.049 -196.415 -6.51649 73.3024 -6.51544 -524.581 GPRESSURE: 1912600 19.0892 49.0612 70.1496 130.317 -98.6174 -116.994 86.6895 -38.9321 -570.735 PRESSAVG: 1912600 0.504887 59.9541 17.2313 59.9541 30.6743 19.4913 17.2313 19.4913 0.35179 GPRESSAVG: 1912600 0.451952 59.284 18.5589 59.913 30.6412 17.3707 18.1942 19.4514 0.776565 TIMING: 1912600 CPU: 5976.36, 0.00311885/step Wall: 5976.36, 0.00311885/step, 2.67476 hours remaining, 234.109375 MB of memory in use. ENERGY: 1912600 4021.5932 20593.4517 14556.3689 246.7574 -203201.0879 2533.4898 0.0000 0.0000 52281.4049 -108968.0220 300.4620 -161249.4269 -108602.1336 299.3983 -247.0759 -216.7543 762990.2760 10.5103 10.6232 PRESSURE: 1912800 -251.672 9.39708 185.716 9.39687 366.708 -223.376 185.716 -223.375 1.15767 GPRESSURE: 1912800 -209.513 -29.4063 201.13 -16.2098 385.576 -252.635 98.5149 -183.214 6.33045 PRESSAVG: 1912800 -36.6076 66.9376 -9.5899 66.9377 -38.2313 6.66246 -9.58991 6.66243 -4.90639 GPRESSAVG: 1912800 -37.1268 67.2479 -11.1044 67.4516 -37.1067 6.76474 -9.98633 6.14677 -5.90117 TIMING: 1912800 CPU: 5976.99, 0.003123/step Wall: 5976.99, 0.003123/step, 2.67814 hours remaining, 234.109375 MB of memory in use. ENERGY: 1912800 3972.0330 20728.9374 14544.8320 230.1117 -202890.6151 2468.8855 0.0000 0.0000 52178.0449 -108767.7707 299.8679 -160945.8156 -108404.6339 299.7047 38.7313 60.7976 764185.1549 -26.5817 -26.7116 PRESSURE: 1913000 -129.098 8.26551 13.9279 8.26463 -307.231 -131.813 13.9285 -131.813 -246.487 GPRESSURE: 1913000 -90.1196 75.7401 60.2376 0.405826 -278.286 -87.5713 52.8009 16.2078 -246.942 PRESSAVG: 1913000 1.37836 5.06241 -40.0704 5.06242 -15.0683 -33.4769 -40.0704 -33.4769 14.4039 GPRESSAVG: 1913000 0.314484 5.35145 -38.5116 5.50168 -14.8272 -34.0667 -41.454 -35.084 15.6905 TIMING: 1913000 CPU: 5977.61, 0.00312853/step Wall: 5977.61, 0.00312853/step, 2.68271 hours remaining, 234.109375 MB of memory in use. ENERGY: 1913000 3991.7360 20660.4839 14534.5200 251.7823 -202785.1377 2366.2451 0.0000 0.0000 52107.4541 -108872.9161 299.4623 -160980.3702 -108510.4199 300.0063 -227.6056 -205.1159 764081.0799 0.2380 0.3926 PRESSURE: 1913200 -195.952 98.6857 153.518 98.6863 -28.2239 1.81585 153.518 1.81667 226.178 GPRESSURE: 1913200 -56.0339 185.549 43.3897 70.9085 -55.7324 9.29313 252.949 -2.66531 208.95 PRESSAVG: 1913200 27.4126 47.8149 22.5411 47.8148 31.4984 7.94484 22.5411 7.94491 -4.36004 GPRESSAVG: 1913200 27.4308 48.588 20.4147 47.3702 30.6208 9.55939 23.1974 9.49057 -3.20483 TIMING: 1913200 CPU: 5978.24, 0.00311544/step Wall: 5978.24, 0.00311544/step, 2.67132 hours remaining, 234.109375 MB of memory in use. ENERGY: 1913200 3982.7989 20527.0368 14539.2013 255.6853 -202951.8346 2494.8463 0.0000 0.0000 52126.6318 -109025.6341 299.5725 -161152.2659 -108664.8971 299.6372 0.6675 32.3945 762294.3142 18.1837 18.2823 PRESSURE: 1913400 -156.347 -98.5865 -253.4 -98.5869 -25.4605 -207.815 -253.4 -207.814 346.711 GPRESSURE: 1913400 -68.2159 -82.0339 -249.13 -247.385 -30.9871 -166.958 -261.991 -240.379 352.697 PRESSAVG: 1913400 -17.7233 -25.3007 -82.5064 -25.3005 -24.8924 4.0241 -82.5064 4.02421 -2.97144 GPRESSAVG: 1913400 -16.8067 -27.8212 -78.7164 -26.4617 -23.9153 4.41642 -83.4617 3.10954 -4.41099 TIMING: 1913400 CPU: 5978.86, 0.00312039/step Wall: 5978.86, 0.00312039/step, 2.67538 hours remaining, 234.109375 MB of memory in use. ENERGY: 1913400 3931.6174 20513.7043 14486.9159 243.5792 -203030.8587 2622.2669 0.0000 0.0000 52191.6966 -109041.0783 299.9464 -161232.7749 -108670.5597 298.9361 54.9681 84.4980 763765.6451 -15.1957 -15.0443 PRESSURE: 1913600 -182.222 -7.77764 252.971 -7.77669 -316.128 -185.366 252.971 -185.365 -119.563 GPRESSURE: 1913600 -139.817 57.3251 186.415 -19.3367 -266.489 -296.655 167.507 -4.73443 -114.305 PRESSAVG: 1913600 11.4926 11.4285 -17.5628 11.4285 10.0002 -49.9025 -17.5627 -49.9025 12.1694 GPRESSAVG: 1913600 12.0205 13.6687 -21.9616 12.7879 9.46128 -50.3384 -18.3327 -50.4006 11.9008 TIMING: 1913600 CPU: 5979.49, 0.00314245/step Wall: 5979.49, 0.00314245/step, 2.69413 hours remaining, 234.109375 MB of memory in use. ENERGY: 1913600 4003.0100 20504.4923 14531.4360 250.8840 -203078.7174 2655.9535 0.0000 0.0000 52116.3726 -109016.5691 299.5135 -161132.9417 -108656.1750 299.6344 -205.9707 -173.5370 763877.4590 11.2207 11.1275 PRESSURE: 1913800 171.558 307.144 109.664 307.144 -114.351 -199.513 109.664 -199.513 -490.641 GPRESSURE: 1913800 219.953 347.362 -12.6316 183.486 -60.1345 -167.716 186.445 -100.818 -510.859 PRESSAVG: 1913800 -1.20568 22.4003 29.5283 22.4002 3.72762 -20.3952 29.5283 -20.3951 -20.2167 GPRESSAVG: 1913800 -2.62663 21.9764 31.3675 22.6284 3.03252 -20.769 30.5118 -19.3385 -18.6451 TIMING: 1913800 CPU: 5980.12, 0.00313397/step Wall: 5980.12, 0.00313397/step, 2.68668 hours remaining, 234.109375 MB of memory in use. ENERGY: 1913800 4091.8614 20600.4058 14566.5358 263.0383 -203220.8041 2737.6261 0.0000 0.0000 52177.2696 -108784.0672 299.8635 -160961.3368 -108427.5844 299.9338 -144.4780 -117.0134 763672.3149 -5.8982 -6.0797 PRESSURE: 1914000 -132.351 144.212 -34.6341 144.212 167.903 41.1221 -34.6349 41.1218 -221.844 GPRESSURE: 1914000 -113.372 124.776 -5.63054 197.527 240.071 -21.4695 -31.1037 42.7466 -227.926 PRESSAVG: 1914000 -15.6044 14.3015 18.8805 14.3015 27.8337 16.6093 18.8805 16.6092 9.94641 GPRESSAVG: 1914000 -14.6414 14.6311 18.9481 13.8838 27.1243 16.4502 18.1563 15.1188 9.52317 TIMING: 1914000 CPU: 5980.74, 0.00310826/step Wall: 5980.74, 0.00310826/step, 2.66447 hours remaining, 234.109375 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: 1914000 3931.7300 20685.8497 14511.3830 262.4784 -202884.8361 2519.1409 0.0000 0.0000 52138.1919 -108836.0622 299.6389 -160974.2541 -108470.8507 300.3044 -62.0971 -33.7423 763917.3803 7.3919 7.3354 PRESSURE: 1914200 -65.3217 -33.4473 72.266 -33.4476 45.3389 -134.535 72.2659 -134.534 179.444 GPRESSURE: 1914200 -107.907 -13.5529 37.4954 95.0993 8.61298 -205.856 55.5288 -81.4834 321.997 PRESSAVG: 1914200 2.24436 -30.7964 -39.9087 -30.7965 -11.9025 -58.4715 -39.9087 -58.4714 -6.55641 GPRESSAVG: 1914200 1.44822 -33.0851 -39.9145 -30.7511 -10.859 -57.6145 -38.518 -57.4908 -7.14708 TIMING: 1914200 CPU: 5981.36, 0.00312239/step Wall: 5981.36, 0.00312239/step, 2.67641 hours remaining, 234.109375 MB of memory in use. ENERGY: 1914200 3977.8709 20718.5515 14573.7127 242.7590 -203261.7407 2799.8616 0.0000 0.0000 52284.5570 -108664.4280 300.4801 -160948.9850 -108301.9764 300.5117 53.1536 74.2345 763187.0629 -5.4048 -5.5193 PRESSURE: 1914400 -304.817 63.1856 173.335 63.1857 198.67 131.782 173.336 131.781 302.639 GPRESSURE: 1914400 -152.689 27.4274 137.449 82.2319 97.4374 163.855 300.876 173.387 338.723 PRESSAVG: 1914400 16.2572 -7.7692 7.55104 -7.76918 23.4863 -32.2517 7.55103 -32.2517 16.9143 GPRESSAVG: 1914400 16.9275 -4.16943 7.71354 -8.06574 21.6038 -31.4569 8.06173 -32.9986 18.2803 TIMING: 1914400 CPU: 5981.99, 0.00311948/step Wall: 5981.99, 0.00311948/step, 2.67374 hours remaining, 234.109375 MB of memory in use. ENERGY: 1914400 3956.2525 20615.2704 14551.6696 238.6163 -203190.3532 2780.5178 0.0000 0.0000 52457.0468 -108590.9798 301.4714 -161048.0265 -108224.7350 300.6029 65.4976 94.4904 763324.4396 18.8859 18.9372 PRESSURE: 1914600 -97.3062 64.4703 -26.7346 64.4708 -109.052 47.4423 -26.734 47.4412 211.196 GPRESSURE: 1914600 -25.2413 97.5048 -47.8688 47.051 -60.4178 -37.6061 95.9732 190.784 175.932 PRESSAVG: 1914600 -53.067 0.489272 18.6202 0.489336 -24.6603 -30.8397 18.6201 -30.8397 7.43003 GPRESSAVG: 1914600 -53.6565 -1.23708 18.4531 2.6752 -22.7772 -32.4536 19.3277 -29.7723 5.7686 TIMING: 1914600 CPU: 5982.61, 0.00312212/step Wall: 5982.61, 0.00312212/step, 2.67583 hours remaining, 234.109375 MB of memory in use. ENERGY: 1914600 3980.5442 20761.2686 14498.9009 232.1060 -202764.6053 2693.8029 0.0000 0.0000 52134.1393 -108463.8434 299.6156 -160597.9827 -108101.3300 300.3944 1.6127 30.0908 763986.5000 -23.4324 -23.5550 PRESSURE: 1914800 37.7868 214.285 -14.4015 214.286 -121.106 109.378 -14.402 109.378 114.396 GPRESSURE: 1914800 53.9635 272.235 -22.0144 74.1129 -44.6378 114.337 -83.176 21.5588 113.611 PRESSAVG: 1914800 -4.37137 12.3318 39.6956 12.3318 31.3821 -32.5163 39.6956 -32.5163 -20.4305 GPRESSAVG: 1914800 -4.59499 12.38 40.2046 10.3786 30.236 -30.0766 39.7209 -34.0855 -19.1743 TIMING: 1914800 CPU: 5983.23, 0.00311944/step Wall: 5983.23, 0.00311944/step, 2.67336 hours remaining, 234.109375 MB of memory in use. ENERGY: 1914800 3911.0907 20627.0453 14459.9794 227.6180 -203006.9770 2923.9178 0.0000 0.0000 52434.2843 -108423.0416 301.3406 -160857.3259 -108056.0088 300.6050 10.3589 40.9790 763571.8691 2.1934 2.1556 PRESSURE: 1915000 -162.048 -107.284 -146.244 -107.283 246.398 58.07 -146.244 58.0698 -339.122 GPRESSURE: 1915000 -156.607 -98.727 -129.39 -108.117 254.29 71.1608 -213.044 38.4109 -273.718 PRESSAVG: 1915000 6.56597 0.827007 -21.7277 0.827039 -12.9562 -95.7739 -21.7277 -95.7739 21.29 GPRESSAVG: 1915000 6.04629 -0.679888 -21.2119 0.823959 -12.4184 -96.1011 -24.1438 -94.9447 21.6223 TIMING: 1915000 CPU: 5983.86, 0.00313558/step Wall: 5983.86, 0.00313559/step, 2.68702 hours remaining, 234.109375 MB of memory in use. ENERGY: 1915000 4061.7199 20627.5553 14486.4947 228.3375 -202751.5052 2751.4290 0.0000 0.0000 52203.7946 -108392.1742 300.0159 -160595.9689 -108028.3245 300.9337 -84.9241 -58.6785 766389.6063 4.9666 5.0834 PRESSURE: 1915200 -128.318 183.613 -66.0703 183.613 -299.309 -95.3381 -66.0707 -95.3387 134.847 GPRESSURE: 1915200 -175.022 268.721 -5.30868 149.39 -122.254 -112.732 -47.2275 66.4405 93.6528 PRESSAVG: 1915200 6.29113 -32.2073 14.1367 -32.2073 19.9965 -67.2109 14.1367 -67.211 28.1326 GPRESSAVG: 1915200 5.43788 -29.4545 12.9341 -33.3681 21.0057 -68.1681 14.5815 -63.9622 27.6479 TIMING: 1915200 CPU: 5984.49, 0.00315179/step Wall: 5984.49, 0.00315179/step, 2.70074 hours remaining, 234.109375 MB of memory in use. ENERGY: 1915200 4010.4024 20596.5566 14514.9815 262.4789 -202425.4705 2153.2059 0.0000 0.0000 52596.1852 -108291.6599 302.2710 -160887.8451 -107918.6507 301.2951 -97.5935 -67.8744 762774.8750 18.1401 18.0305 PRESSURE: 1915400 352.125 -146.206 57.7239 -146.206 59.595 84.9406 57.7247 84.9406 388.507 GPRESSURE: 1915400 330.799 -81.9521 -6.6947 -174.92 176.843 108.109 75.2601 166.174 363.387 PRESSAVG: 1915400 3.47352 -1.34291 14.5952 -1.34291 0.53879 28.9317 14.5952 28.9317 -14.9297 GPRESSAVG: 1915400 4.78588 -1.95033 17.0073 -0.0413123 -0.572846 27.2018 14.8755 26.2815 -14.8859 TIMING: 1915400 CPU: 5985.12, 0.00313355/step Wall: 5985.12, 0.00313355/step, 2.68493 hours remaining, 234.109375 MB of memory in use. ENERGY: 1915400 4026.3362 20607.0233 14624.1242 265.1101 -203042.6562 2689.2953 0.0000 0.0000 52444.1953 -108386.5719 301.3975 -160830.7672 -108018.8339 300.9402 266.7424 290.3430 761367.6603 -3.6391 -3.5576 PRESSURE: 1915600 -402.101 85.7332 -55.442 85.7324 115.183 32.6751 -55.4417 32.6763 222.826 GPRESSURE: 1915600 -293.067 135.683 -120.702 -11.5337 54.7416 53.7233 -21.7722 -81.2969 268.931 PRESSAVG: 1915600 -33.7157 -30.3114 -8.53084 -30.3115 45.5372 54.2023 -8.53086 54.2024 19.3205 GPRESSAVG: 1915600 -33.2434 -28.6212 -9.00488 -31.5542 46.257 56.0074 -8.61645 54.3803 18.5303 TIMING: 1915600 CPU: 5985.74, 0.00312281/step Wall: 5985.74, 0.00312281/step, 2.67555 hours remaining, 234.109375 MB of memory in use. ENERGY: 1915600 4034.8409 20812.2912 14492.6023 248.0429 -203380.9359 2866.6510 0.0000 0.0000 52427.5500 -108498.9576 301.3019 -160926.5076 -108139.3777 301.6227 -21.3640 10.2019 762612.8360 10.3807 10.5146 PRESSURE: 1915800 -259.65 53.4478 166.23 53.448 -205.953 51.3543 166.229 51.3544 -95.904 GPRESSURE: 1915800 -281.788 78.1584 292.143 -115.391 -123.746 99.2819 188.031 102.863 -59.9484 PRESSAVG: 1915800 41.0041 40.463 -67.4484 40.4629 -37.0761 48.0273 -67.4484 48.0272 3.11657 GPRESSAVG: 1915800 41.6278 36.4848 -67.5899 43.1042 -37.5066 45.2972 -67.999 48.0363 3.63122 TIMING: 1915800 CPU: 5986.37, 0.00311506/step Wall: 5986.37, 0.00311506/step, 2.66874 hours remaining, 234.109375 MB of memory in use. ENERGY: 1915800 4017.8945 20698.0898 14497.0639 234.3089 -203062.2543 2724.0437 0.0000 0.0000 52187.4624 -108703.3912 299.9221 -160890.8536 -108348.1923 300.5130 -187.1691 -155.1607 764792.1636 2.3482 2.5841 PRESSURE: 1916000 -319.063 138.504 44.2478 138.505 -356.703 148.19 44.2477 148.191 -214.191 GPRESSURE: 1916000 -341.189 159.006 4.96811 92.7921 -235.358 94.3101 108.376 127.815 -233.982 PRESSAVG: 1916000 -25.647 -6.10501 22.0189 -6.10502 30.793 19.2134 22.019 19.2133 2.82147 GPRESSAVG: 1916000 -26.1766 -5.54892 19.9236 -5.15365 31.3402 21.5663 23.1702 19.9408 2.52177 TIMING: 1916000 CPU: 5986.99, 0.00311993/step Wall: 5986.99, 0.00311993/step, 2.67274 hours remaining, 234.109375 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: 1916000 4045.2301 20816.8549 14453.9971 257.5123 -203119.5451 2726.4401 0.0000 0.0000 52190.8177 -108628.6929 299.9413 -160819.5106 -108262.7787 300.3009 -296.6522 -270.1762 764311.7378 2.6558 2.5618 PRESSURE: 1916200 -64.3154 -157.852 -75.9773 -157.853 211.092 -191.798 -75.9764 -191.798 15.8564 GPRESSURE: 1916200 -68.6649 -78.6168 -77.7712 -125.793 207.378 -196.753 -76.304 -152.212 107.651 PRESSAVG: 1916200 -4.4953 8.96877 -27.8844 8.96873 4.39117 -19.7465 -27.8844 -19.7464 -4.06395 GPRESSAVG: 1916200 -5.48567 10.9656 -25.3446 5.25906 3.93715 -19.3128 -29.5516 -21.3553 -2.81876 TIMING: 1916200 CPU: 5987.62, 0.00313151/step Wall: 5987.62, 0.00313151/step, 2.68249 hours remaining, 234.109375 MB of memory in use. ENERGY: 1916200 3978.6986 20719.4328 14550.9447 248.5439 -203346.4200 2876.8664 0.0000 0.0000 52481.7151 -108490.2185 301.6131 -160971.9336 -108129.9898 300.2000 54.2109 82.1214 764042.0779 -1.3894 -1.4558 LDB: ============= START OF LOAD BALANCING ============== 6000.09 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6000.09 LDB: =============== DONE WITH MIGRATION ================ 6000.1 LDB: ============= START OF LOAD BALANCING ============== 6000.41 LDB: Largest compute 7007 load 0.031112 is 15.9% of average load 0.195110 LDB: Average compute 0.004428 is 2.3% of average load 0.195110 LDB: TIME 6000.41 LOAD: AVG 0.19511 MAX 0.216283 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.391 MB LDB: TIME 6000.41 LOAD: AVG 0.19511 MAX 0.216283 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.391 MB LDB: TIME 6000.41 LOAD: AVG 0.19511 MAX 0.216283 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.391 MB LDB: ============== END OF LOAD BALANCING =============== 6000.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6000.42 PRESSURE: 1916400 4.1903 3.1205 -134.872 3.11923 280.285 -5.11087 -134.873 -5.11192 177.743 GPRESSURE: 1916400 13.8027 111.196 -136.053 101.948 393.317 110.043 -50.7803 111.481 129.875 PRESSAVG: 1916400 -29.6412 54.0688 31.0461 54.0687 48.899 34.933 31.0462 34.9329 18.6323 GPRESSAVG: 1916400 -30.0762 52.7706 30.7418 55.7713 49.4126 34.44 34.2625 35.9081 18.1879 TIMING: 1916400 CPU: 5988.25, 0.00318571/step Wall: 5988.25, 0.00318571/step, 2.72874 hours remaining, 234.167969 MB of memory in use. ENERGY: 1916400 3917.7530 20500.4781 14530.6099 244.8030 -202700.5402 2726.7077 0.0000 0.0000 52299.3995 -108480.7890 300.5654 -160780.1885 -108103.8223 300.7971 154.0725 178.9981 765836.5096 12.6300 12.5081 PRESSURE: 1916600 -270.967 45.5401 283.834 45.5394 -295.749 131.682 283.833 131.683 21.4008 GPRESSURE: 1916600 -287.126 123.943 245.174 71.6139 -219.046 179.189 334.274 49.2412 49.0105 PRESSAVG: 1916600 -27.4151 67.9928 31.4823 67.9928 46.0913 29.9936 31.4822 29.9935 3.01649 GPRESSAVG: 1916600 -26.8677 68.5813 31.3877 68.084 45.908 28.7813 29.0446 30.2184 3.13589 TIMING: 1916600 CPU: 5988.88, 0.00312772/step Wall: 5988.88, 0.00312772/step, 2.6789 hours remaining, 234.167969 MB of memory in use. ENERGY: 1916600 4038.9076 20594.3644 14493.6390 258.6016 -202525.5468 2455.8119 0.0000 0.0000 52099.7238 -108584.4985 299.4178 -160684.2222 -108216.9243 300.5243 -181.7719 -152.3874 765406.7776 7.2309 7.3921 PRESSURE: 1916800 -118.776 125.904 299.629 125.904 -232.957 -219.428 299.629 -219.428 -248.67 GPRESSURE: 1916800 -141.899 97.4472 304.905 71.2317 -142.667 -134.799 225.423 -164.25 -256.786 PRESSAVG: 1916800 -10.8676 29.5231 52.3776 29.5231 79.6479 18.9849 52.3776 18.9849 2.48407 GPRESSAVG: 1916800 -10.8436 29.0856 52.5173 29.7578 79.1538 19.8202 52.0317 18.9663 2.57785 TIMING: 1916800 CPU: 5989.5, 0.00311585/step Wall: 5989.5, 0.00311585/step, 2.66855 hours remaining, 234.167969 MB of memory in use. ENERGY: 1916800 4057.9047 20578.3716 14570.5740 247.1261 -202757.5386 2686.2906 0.0000 0.0000 52339.9446 -108277.3270 300.7984 -160617.2716 -107925.5155 300.8419 -200.1344 -180.4507 765128.1539 23.7548 23.6294 PRESSURE: 1917000 -72.8071 86.3192 -57.7403 86.3179 12.8549 -110.146 -57.7408 -110.146 205.621 GPRESSURE: 1917000 -81.8923 61.5002 -54.3593 3.97363 94.8813 -21.1365 -49.9545 -171.924 200.152 PRESSAVG: 1917000 -26.4107 -22.1986 108.83 -22.1986 22.2008 -28.7111 108.83 -28.7111 0.0285015 GPRESSAVG: 1917000 -26.3576 -22.68 109.341 -21.4774 21.1319 -26.8057 107.833 -29.6898 0.969597 TIMING: 1917000 CPU: 5990.12, 0.00311071/step Wall: 5990.12, 0.00311071/step, 2.66398 hours remaining, 234.167969 MB of memory in use. ENERGY: 1917000 3989.1708 20654.7262 14558.1655 254.3822 -203077.2384 2962.7861 0.0000 0.0000 52204.9031 -108453.1046 300.0223 -160658.0077 -108105.1227 301.0211 48.5563 71.0470 763965.3244 -1.3938 -1.4187 PRESSURE: 1917200 -64.9814 184.294 -1.22057 184.295 458.921 17.7365 -1.22071 17.7365 -73.5683 GPRESSURE: 1917200 11.539 -10.5137 -72.0187 295.776 405.906 0.284611 28.3142 72.7224 -18.6169 PRESSAVG: 1917200 -74.8454 55.2026 26.9679 55.2027 70.4649 -13.1513 26.9678 -13.1512 5.02166 GPRESSAVG: 1917200 -75.4347 54.6012 25.9428 53.872 71.4315 -15.9365 27.0533 -13.2641 4.89902 TIMING: 1917200 CPU: 5990.75, 0.00311977/step Wall: 5990.75, 0.00311977/step, 2.67157 hours remaining, 234.167969 MB of memory in use. ENERGY: 1917200 4025.7730 20486.1453 14553.0970 252.3480 -203143.5520 2928.3974 0.0000 0.0000 52424.0713 -108473.7200 301.2819 -160897.7913 -108103.6597 300.9058 106.7905 132.9428 764663.7766 0.2137 0.2986 PRESSURE: 1917400 -290.624 238.637 -120.996 238.637 59.8787 -15.9529 -120.996 -15.9539 -198.266 GPRESSURE: 1917400 -188.052 192.442 3.0125 290.213 52.6629 -20.6746 -96.977 45.4155 -202.153 PRESSAVG: 1917400 -85.4842 74.5576 -38.2112 74.5576 24.1708 0.882944 -38.2112 0.882888 -4.25979 GPRESSAVG: 1917400 -84.8326 76.5215 -37.5731 75.0806 23.8941 0.3267 -38.4268 3.50541 -4.61357 TIMING: 1917400 CPU: 5991.37, 0.00313108/step Wall: 5991.37, 0.00313108/step, 2.68107 hours remaining, 234.167969 MB of memory in use. ENERGY: 1917400 3992.0509 20478.9694 14527.7223 251.8763 -202902.1577 2760.2554 0.0000 0.0000 52421.6856 -108469.5977 301.2681 -160891.2833 -108102.6178 300.6650 -143.0038 -112.5142 765015.0586 -21.8577 -21.8507 PRESSURE: 1917600 90.7687 154.226 -16.9868 154.227 -29.5812 131.583 -16.987 131.583 -17.0511 GPRESSURE: 1917600 66.523 100.506 -0.220041 238.724 49.9512 206.75 -20.4855 13.1397 -10.379 PRESSAVG: 1917600 -16.2691 31.9959 30.0314 31.9959 32.8908 -3.55342 30.0314 -3.55335 -28.6056 GPRESSAVG: 1917600 -16.2298 32.7719 29.427 32.4199 32.2826 -1.36754 32.8498 -6.80136 -28.5385 TIMING: 1917600 CPU: 5992, 0.00312884/step Wall: 5992, 0.00312884/step, 2.67898 hours remaining, 234.167969 MB of memory in use. ENERGY: 1917600 4035.1937 20557.7148 14579.7524 243.9700 -203270.2766 2835.5462 0.0000 0.0000 52369.4468 -108648.6527 300.9679 -161018.0995 -108273.0772 300.4538 14.7121 35.3651 763334.3790 -3.9947 -4.1619 PRESSURE: 1917800 -216.688 -72.251 105.899 -72.2514 208.669 -69.2056 105.899 -69.2043 -123.26 GPRESSURE: 1917800 -197.334 -99.49 43.555 -94.5369 260.08 -61.4163 63.8113 -85.8347 -102.338 PRESSAVG: 1917800 8.45063 10.9962 54.8422 10.9962 0.576776 8.37363 54.8422 8.37363 12.6621 GPRESSAVG: 1917800 8.08431 10.8114 55.5146 10.4295 2.1273 7.85569 52.8866 9.64042 11.9102 TIMING: 1917800 CPU: 5992.62, 0.00311774/step Wall: 5992.62, 0.00311774/step, 2.66931 hours remaining, 234.167969 MB of memory in use. ENERGY: 1917800 4007.8222 20542.4247 14519.9583 256.8851 -202599.5725 2400.1294 0.0000 0.0000 52208.5887 -108663.7640 300.0435 -160872.3527 -108288.4399 300.4477 -43.7598 -13.1975 762933.3273 7.2298 7.3739 PRESSURE: 1918000 78.3163 -24.6831 158.848 -24.6834 -10.3295 18.8917 158.849 18.891 66.0109 GPRESSURE: 1918000 37.3342 -6.8556 30.5032 -51.7572 61.7021 -35.2419 219.597 21.8168 115.768 PRESSAVG: 1918000 -95.5763 17.7205 -11.0898 17.7205 58.272 20.5027 -11.0898 20.5027 -21.9739 GPRESSAVG: 1918000 -95.2721 16.4625 -11.4733 17.3231 57.3534 21.1365 -12.119 20.445 -21.4932 TIMING: 1918000 CPU: 5993.25, 0.00313189/step Wall: 5993.25, 0.00313189/step, 2.68124 hours remaining, 234.167969 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: 1918000 4014.4292 20672.5956 14553.2929 247.6537 -203209.4937 3013.0238 0.0000 0.0000 52053.1952 -108655.3033 299.1504 -160708.4985 -108288.0555 300.3288 44.6659 71.6016 763046.4211 -19.7594 -19.8040 PRESSURE: 1918200 -248.723 1.51402 -40.7389 1.51372 124.97 -169.96 -40.739 -169.961 73.417 GPRESSURE: 1918200 -271.522 -45.3817 -116.734 -32.7794 262.331 -87.594 -61.1354 -77.7859 49.1002 PRESSAVG: 1918200 -46.284 5.27993 -0.254398 5.27991 63.6647 1.07214 -0.254399 1.07221 4.1655 GPRESSAVG: 1918200 -45.8542 5.64093 -1.72322 6.62349 63.0834 1.56194 0.0824534 -0.550334 4.21116 TIMING: 1918200 CPU: 5993.88, 0.00314033/step Wall: 5993.88, 0.00314033/step, 2.68829 hours remaining, 234.167969 MB of memory in use. ENERGY: 1918200 3993.6464 20443.2496 14542.9083 255.6795 -202905.3230 2727.9598 0.0000 0.0000 52307.0482 -108634.8312 300.6093 -160941.8794 -108265.8132 299.9068 -16.7786 13.3032 764502.2533 7.1821 7.1468 PRESSURE: 1918400 160.044 -183.04 -104.115 -183.04 -198.828 -162.577 -104.115 -162.577 168.48 GPRESSURE: 1918400 92.7803 -5.01267 -79.1839 -207.538 -88.0803 -184.966 -35.68 -234.151 216.368 PRESSAVG: 1918400 -45.3049 19.4376 -38.7895 19.4376 -4.17386 -24.239 -38.7894 -24.239 4.44344 GPRESSAVG: 1918400 -46.8258 19.9915 -36.8059 18.0035 -3.69114 -25.6772 -37.9006 -22.4942 4.33355 TIMING: 1918400 CPU: 5994.5, 0.00312925/step Wall: 5994.5, 0.00312925/step, 2.67864 hours remaining, 234.167969 MB of memory in use. ENERGY: 1918400 3929.0026 20616.7380 14460.8926 247.3943 -202858.3462 2930.3554 0.0000 0.0000 52162.3467 -108511.6166 299.7777 -160673.9633 -108149.1302 300.0116 43.2318 73.6895 763944.7996 -15.0118 -15.3945 PRESSURE: 1918600 -141.832 190.541 -265.419 190.541 133.466 -130.641 -265.42 -130.64 66.532 GPRESSURE: 1918600 -151.394 244.23 -261.788 237.501 94.9807 -131.339 -268.192 -55.8624 190.173 PRESSAVG: 1918600 29.9902 5.56605 -7.67449 5.56612 -42.5506 27.309 -7.67459 27.309 14.0076 GPRESSAVG: 1918600 31.4433 5.81857 -9.75968 6.60025 -42.8485 26.7952 -6.49965 25.6964 12.7256 TIMING: 1918600 CPU: 5995.13, 0.00312396/step Wall: 5995.13, 0.00312396/step, 2.67393 hours remaining, 234.167969 MB of memory in use. ENERGY: 1918600 4077.5454 20678.8564 14462.5626 235.0872 -202957.8472 3015.7143 0.0000 0.0000 52168.6810 -108319.4003 299.8141 -160488.0814 -107959.5769 300.1123 19.3888 44.5866 765186.8653 0.4824 0.4401 PRESSURE: 1918800 -103.849 -20.0735 42.37 -20.0733 -2.49987 262.706 42.3699 262.707 119.473 GPRESSURE: 1918800 -8.86589 -33.1883 -50.3322 85.3631 41.5562 309.611 20.7607 144.954 56.545 PRESSAVG: 1918800 -31.7109 64.5408 31.7275 64.5408 14.9041 48.0635 31.7275 48.0635 -23.961 GPRESSAVG: 1918800 -32.5584 64.7739 30.7982 63.9883 15.8744 48.0824 31.5471 48.4779 -23.9141 TIMING: 1918800 CPU: 5995.75, 0.00312323/step Wall: 5995.75, 0.00312323/step, 2.67314 hours remaining, 234.167969 MB of memory in use. ENERGY: 1918800 3936.7205 20484.5537 14525.4768 252.8289 -202723.6894 2647.1326 0.0000 0.0000 52646.1761 -108230.8008 302.5583 -160876.9769 -107865.2988 300.7311 4.3748 29.7451 764405.2749 -13.5893 -13.5327 PRESSURE: 1919000 -165.181 162.476 15.9768 162.477 46.024 -7.2036 15.9763 -7.20484 127.125 GPRESSURE: 1919000 -89.3949 115.652 4.85484 203.477 81.5781 3.39298 -96.929 -42.8843 99.3562 PRESSAVG: 1919000 3.4368 -11.0813 6.33517 -11.0813 20.9781 13.497 6.33518 13.4971 -5.22228 GPRESSAVG: 1919000 4.37328 -12.9115 9.04243 -9.06625 20.5958 13.9717 4.77779 12.443 -5.51946 TIMING: 1919000 CPU: 5996.38, 0.00311727/step Wall: 5996.38, 0.00311726/step, 2.66786 hours remaining, 234.167969 MB of memory in use. ENERGY: 1919000 4088.0634 20360.5970 14615.5756 266.2077 -202441.8124 2437.2213 0.0000 0.0000 52277.0510 -108397.0963 300.4369 -160674.1473 -108032.1648 300.6049 2.6559 30.5132 763848.5594 6.3975 6.4832 PRESSURE: 1919200 126.381 3.58324 -24.4839 3.58326 114.583 68.6685 -24.4831 68.6691 -69.7594 GPRESSURE: 1919200 62.8616 -52.4884 66.5105 -41.6963 228.951 7.75519 -61.832 145.798 -33.3144 PRESSAVG: 1919200 6.93395 41.5803 23.4642 41.5803 24.6452 -3.74597 23.4642 -3.74595 -26.192 GPRESSAVG: 1919200 6.01773 42.2279 22.7179 39.456 24.7872 -4.42829 22.6946 -0.377422 -25.3634 TIMING: 1919200 CPU: 5997, 0.00312501/step Wall: 5997, 0.00312501/step, 2.67431 hours remaining, 234.167969 MB of memory in use. ENERGY: 1919200 4014.7510 20638.8082 14538.3570 240.1050 -202971.0530 2858.2399 0.0000 0.0000 52213.3038 -108467.4882 300.0706 -160680.7920 -108102.8678 300.2931 57.0681 86.1659 764567.3319 1.7957 1.8138 PRESSURE: 1919400 -300.349 -117.89 -22.2058 -117.89 93.3304 244.797 -22.2063 244.796 362.044 GPRESSURE: 1919400 -170.921 -58.7191 -55.6713 -102.172 89.5739 207.904 58.604 188.775 311.368 PRESSAVG: 1919400 18.4726 20.0304 1.0072 20.0304 -18.3349 -31.2795 1.0072 -31.2795 -17.0331 GPRESSAVG: 1919400 19.8466 19.7044 0.256875 21.5416 -19.0096 -30.3654 2.5755 -32.7729 -17.627 TIMING: 1919400 CPU: 5997.63, 0.0031153/step Wall: 5997.63, 0.0031153/step, 2.66583 hours remaining, 234.167969 MB of memory in use. ENERGY: 1919400 3921.4209 20476.3284 14698.9072 247.0407 -203006.3215 2742.3308 0.0000 0.0000 52295.5239 -108624.7696 300.5431 -160920.2935 -108265.4785 300.4727 51.6752 76.6736 763526.8871 -5.6318 -5.5967 PRESSURE: 1919600 -61.3911 -181.362 -173.852 -181.362 4.38226 156.431 -173.852 156.43 53.0148 GPRESSURE: 1919600 -33.9578 -178.755 -164.164 -92.9186 82.5061 138.337 -138.362 74.211 46.1917 PRESSAVG: 1919600 -22.3093 -33.5341 -50.8223 -33.5341 -23.9191 -22.8181 -50.8222 -22.8181 3.12308 GPRESSAVG: 1919600 -23.1072 -32.49 -50.0598 -34.5063 -22.5506 -21.9976 -49.9164 -21.2199 2.95229 TIMING: 1919600 CPU: 5998.25, 0.00310127/step Wall: 5998.25, 0.00310127/step, 2.65365 hours remaining, 234.167969 MB of memory in use. ENERGY: 1919600 3973.4533 20379.5306 14640.7444 262.9317 -203286.8785 2988.6012 0.0000 0.0000 52301.2086 -108740.4087 300.5758 -161041.6173 -108377.2338 299.9211 -1.3314 31.5800 766229.1939 -14.3684 -14.2352 PRESSURE: 1919800 -148.056 138.407 -132.321 138.407 179.906 4.9132 -132.321 4.9128 336.555 GPRESSURE: 1919800 -81.7022 68.9413 -229.963 214.683 169.578 -79.9851 -76.8707 52.6939 365.683 PRESSAVG: 1919800 -32.6968 2.89104 -0.841405 2.891 12.6102 61.2307 -0.841443 61.2307 -12.3265 GPRESSAVG: 1919800 -33.4252 2.13137 -1.62685 4.43641 12.1379 59.7191 -1.15895 58.5184 -11.4487 TIMING: 1919800 CPU: 5998.87, 0.00312237/step Wall: 5998.87, 0.00312237/step, 2.67153 hours remaining, 234.167969 MB of memory in use. ENERGY: 1919800 3892.3256 20426.1905 14574.0793 255.5381 -202754.0681 2695.5413 0.0000 0.0000 51991.1787 -108919.2146 298.7940 -160910.3932 -108554.4978 299.5180 122.8013 151.1865 767746.8149 -10.8044 -10.9120 PRESSURE: 1920000 112.446 65.4915 180.854 65.4914 139.461 51.681 180.853 51.6815 131.01 GPRESSURE: 1920000 164.794 -8.34012 273.824 62.0079 128.308 11.8843 139.86 89.7351 172.687 PRESSAVG: 1920000 13.3991 1.76354 11.4111 1.76356 -32.7799 -21.2117 11.411 -21.2116 12.7951 GPRESSAVG: 1920000 13.4358 0.65704 13.2688 1.33856 -32.3538 -21.0617 11.5189 -19.7172 12.7306 TIMING: 1920000 CPU: 5999.49, 0.00311509/step Wall: 5999.49, 0.00311509/step, 2.66513 hours remaining, 234.167969 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: 1920000 3933.0695 20459.2061 14555.4126 261.7121 -203242.8382 3012.8128 0.0000 0.0000 52091.2408 -108929.3843 299.3691 -161020.6251 -108567.6090 298.6654 127.6389 155.2631 763639.6217 -2.1952 -2.0624 PRESSURE: 1920200 321.659 354.356 -198.241 354.356 -133.958 -9.54533 -198.241 -9.5443 -79.6906 GPRESSURE: 1920200 317.568 245.265 -210.473 269.195 -104.035 39.2619 -284.343 -120.689 -26.3791 PRESSAVG: 1920200 3.22333 11.9824 -16.0184 11.9824 33.622 24.6805 -16.0184 24.6806 10.8638 GPRESSAVG: 1920200 3.72975 11.8359 -14.4503 11.5063 32.2954 24.6981 -16.6542 25.2147 10.6735 TIMING: 1920200 CPU: 6000.12, 0.00312629/step Wall: 6000.12, 0.00312629/step, 2.67454 hours remaining, 234.167969 MB of memory in use. ENERGY: 1920200 4042.8086 20548.2749 14569.9349 230.1939 -202990.2305 2777.8338 0.0000 0.0000 52313.3153 -108507.8689 300.6453 -160821.1842 -108155.2151 299.6521 36.0036 62.3848 763951.6154 15.9030 15.5662 LDB: ============= START OF LOAD BALANCING ============== 6012.6 LDB: ============== END OF LOAD BALANCING =============== 6012.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6012.6 LDB: ============= START OF LOAD BALANCING ============== 6012.91 LDB: Largest compute 6998 load 0.031142 is 16.0% of average load 0.194918 LDB: Average compute 0.004411 is 2.3% of average load 0.194918 LDB: TIME 6012.91 LOAD: AVG 0.194918 MAX 0.2163 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.086 MB LDB: TIME 6012.91 LOAD: AVG 0.194918 MAX 0.2163 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.086 MB LDB: TIME 6012.91 LOAD: AVG 0.194918 MAX 0.2163 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.086 MB LDB: ============== END OF LOAD BALANCING =============== 6012.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6012.92 PRESSURE: 1920400 -179.671 -123.11 90.1429 -123.11 338.203 -127.374 90.1426 -127.374 -189.481 GPRESSURE: 1920400 -132.612 39.5421 61.0223 -116.706 354.307 -148.334 68.6676 -10.8759 -168.483 PRESSAVG: 1920400 -31.4358 27.8513 14.4597 27.8513 38.3017 57.7367 14.4598 57.7368 -14.7524 GPRESSAVG: 1920400 -31.8856 27.6045 14.1354 29.3894 39.0234 58.8374 12.6121 54.2145 -14.9912 TIMING: 1920400 CPU: 6000.76, 0.00319009/step Wall: 6000.76, 0.00319009/step, 2.72895 hours remaining, 234.109375 MB of memory in use. ENERGY: 1920400 4107.9826 20528.0572 14549.7978 276.2019 -202438.2367 2474.6935 0.0000 0.0000 52028.1878 -108473.3159 299.0067 -160501.5038 -108116.8436 300.1028 -10.3162 17.7377 764393.2295 -2.6289 -2.6178 PRESSURE: 1920600 -6.14166 -111.795 -163.846 -111.796 50.2102 52.211 -163.847 52.2098 140.354 GPRESSURE: 1920600 -17.1218 14.6992 -88.632 -84.8704 96.6694 104.403 -113.355 74.6797 166.647 PRESSAVG: 1920600 -52.611 11.8758 -3.51773 11.8758 29.0672 34.5085 -3.51769 34.5084 12.7475 GPRESSAVG: 1920600 -51.8009 13.7814 -5.47362 9.64735 28.2764 32.4829 -1.79971 37.9931 12.4499 TIMING: 1920600 CPU: 6001.38, 0.00311519/step Wall: 6001.38, 0.00311519/step, 2.6647 hours remaining, 234.109375 MB of memory in use. ENERGY: 1920600 4001.9114 20609.7767 14509.3410 235.6298 -203168.2291 2895.6116 0.0000 0.0000 52177.8686 -108738.0899 299.8669 -160915.9585 -108371.6355 299.5845 61.4742 82.0648 763847.5413 -3.5987 -3.6915 PRESSURE: 1920800 149.595 -21.0539 289.249 -21.054 39.4685 -156.535 289.249 -156.534 109.234 GPRESSURE: 1920800 150.456 -43.4731 217.184 13.2432 108.674 -115.237 117.691 -140.377 101.703 PRESSAVG: 1920800 29.7268 21.9926 -10.5015 21.9926 -55.4848 17.0287 -10.5015 17.0287 -25.0256 GPRESSAVG: 1920800 29.7558 18.3775 -11.0256 26.0814 -54.843 17.5218 -12.0017 15.3968 -25.8642 TIMING: 1920800 CPU: 6002.01, 0.0031384/step Wall: 6002.01, 0.00313839/step, 2.68437 hours remaining, 234.109375 MB of memory in use. ENERGY: 1920800 3934.7093 20536.5282 14546.8246 222.0379 -202785.8694 2797.1055 0.0000 0.0000 52095.8502 -108652.8137 299.3956 -160748.6639 -108294.4829 299.8596 99.4326 120.2777 764646.5071 -16.9279 -16.9838 PRESSURE: 1921000 -286.18 38.4449 -362.678 38.4438 -9.54056 112.558 -362.677 112.559 12.0862 GPRESSURE: 1921000 -199.523 35.1139 -371.889 -146.096 -13.7453 35.8213 -275.143 99.0287 20.3655 PRESSAVG: 1921000 -65.0123 17.6032 -24.4076 17.6032 54.9703 46.9755 -24.4076 46.9756 4.60283 GPRESSAVG: 1921000 -66.9045 19.8628 -23.8088 13.3689 54.9556 47.384 -22.4285 47.3077 5.88907 TIMING: 1921000 CPU: 6002.63, 0.00312028/step Wall: 6002.63, 0.00312028/step, 2.6687 hours remaining, 234.109375 MB of memory in use. ENERGY: 1921000 4056.7400 20573.6519 14625.0576 250.4761 -203133.6596 2723.3853 0.0000 0.0000 52319.2198 -108585.1288 300.6793 -160904.3486 -108219.7848 300.4255 -94.5447 -64.3010 764161.5322 -1.8130 -2.0200 PRESSURE: 1921200 -488.584 120.894 -219.356 120.894 -182.092 -5.20488 -219.355 -5.20451 -417.896 GPRESSURE: 1921200 -361.673 160.304 -152.164 255.106 -161.096 76.822 -183.03 124.393 -482.894 PRESSAVG: 1921200 -36.2691 15.085 56.9333 15.085 11.4948 22.3747 56.9333 22.3746 -6.61649 GPRESSAVG: 1921200 -35.1212 14.088 55.4857 17.4605 11.8637 22.5921 57.2884 23.6223 -7.51092 TIMING: 1921200 CPU: 6003.26, 0.00312407/step Wall: 6003.26, 0.00312407/step, 2.67178 hours remaining, 234.109375 MB of memory in use. ENERGY: 1921200 4036.0990 20548.6084 14558.7080 245.1562 -202769.3642 2626.6236 0.0000 0.0000 52305.0450 -108449.1239 300.5978 -160754.1689 -108086.5326 300.1869 -362.8571 -335.2209 765271.0044 -10.4636 -10.2562 PRESSURE: 1921400 -104.159 -36.3789 -43.5351 -36.3788 44.9242 90.9862 -43.5347 90.9864 -138.932 GPRESSURE: 1921400 -108.529 33.8421 -22.7237 -8.82309 129.146 74.5499 -131.869 181.085 -136.482 PRESSAVG: 1921400 -34.0255 -9.00134 -8.50634 -9.0013 56.8238 50.0456 -8.50629 50.0456 17.8259 GPRESSAVG: 1921400 -35.3116 -7.24706 -5.574 -8.20045 56.7799 48.8995 -10.6507 50.5875 19.1288 TIMING: 1921400 CPU: 6003.89, 0.00315833/step Wall: 6003.89, 0.00315833/step, 2.7009 hours remaining, 234.109375 MB of memory in use. ENERGY: 1921400 3963.4892 20768.6857 14585.0618 250.0262 -202925.7079 2639.0427 0.0000 0.0000 52088.9347 -108630.4676 299.3558 -160719.4023 -108265.2036 300.4012 -66.0555 -38.6216 764373.2833 13.5414 13.5324 PRESSURE: 1921600 28.1388 74.0016 65.1354 74.0022 188.859 -35.0192 65.1343 -35.0198 159.354 GPRESSURE: 1921600 55.4966 57.5406 69.4997 63.3329 247.39 -78.3847 75.7614 -64.4611 143.718 PRESSAVG: 1921600 -33.4059 33.6976 -65.3777 33.6977 39.0754 55.3737 -65.3778 55.3735 -28.4127 GPRESSAVG: 1921600 -33.7145 32.8208 -66.3426 32.26 39.0878 56.6979 -64.1724 53.4418 -28.3254 TIMING: 1921600 CPU: 6004.51, 0.00311931/step Wall: 6004.51, 0.00311931/step, 2.66735 hours remaining, 234.109375 MB of memory in use. ENERGY: 1921600 3985.3794 20608.8105 14583.4832 228.1996 -203275.4687 2966.7897 0.0000 0.0000 52331.0798 -108571.7265 300.7474 -160902.8063 -108217.0810 299.9067 125.4504 148.8683 763292.9013 -7.5811 -7.6507 PRESSURE: 1921800 520.822 327.455 28.5541 327.455 -13.9046 303.979 28.5545 303.979 79.253 GPRESSURE: 1921800 494.993 223.045 110.741 237.886 69.6328 291.106 -31.0472 172.197 99.9988 PRESSAVG: 1921800 -2.86702 32.4483 3.97912 32.4483 49.2615 -1.30005 3.9791 -1.30013 23.1178 GPRESSAVG: 1921800 -1.69152 31.074 3.40345 32.1158 48.631 -3.11298 3.49273 -3.10076 22.4558 TIMING: 1921800 CPU: 6005.13, 0.00311402/step Wall: 6005.13, 0.00311402/step, 2.66266 hours remaining, 234.109375 MB of memory in use. ENERGY: 1921800 4006.5753 20483.2307 14510.9542 255.0118 -203588.2586 3366.7844 0.0000 0.0000 52319.7054 -108645.9968 300.6821 -160965.7022 -108278.8765 299.9182 195.3901 221.5417 763574.1245 23.1708 23.1318 PRESSURE: 1922000 188.884 285.286 -87.2411 285.286 -23.3392 -186.889 -87.2412 -186.889 4.53685 GPRESSURE: 1922000 146.374 278.342 -112.006 258.515 41.1584 -171.507 -69.0511 -26.6192 60.1106 PRESSAVG: 1922000 -79.9866 31.8609 -41.618 31.861 50.7632 35.3475 -41.618 35.3475 -7.25963 GPRESSAVG: 1922000 -80.7105 32.2821 -41.091 33.7282 51.0701 35.9151 -40.607 38.549 -6.80575 TIMING: 1922000 CPU: 6005.76, 0.00311935/step Wall: 6005.76, 0.00311935/step, 2.66704 hours remaining, 234.109375 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: 1922000 4016.5491 20545.7599 14599.2318 242.0760 -203359.6767 2887.8282 0.0000 0.0000 52324.1173 -108744.1143 300.7074 -161068.2316 -108370.4885 299.7948 56.6938 82.5477 763878.0162 -12.1610 -12.1487 PRESSURE: 1922200 -243.337 67.7213 -55.3264 67.7218 -255.457 -23.8139 -55.3255 -23.8129 -243.269 GPRESSURE: 1922200 -227.831 10.1586 -102.275 83.0926 -203.555 -31.5023 -46.0761 52.891 -219.795 PRESSAVG: 1922200 -46.5803 68.0073 -29.7532 68.0074 30.7919 24.9775 -29.7532 24.9775 24.6231 GPRESSAVG: 1922200 -47.2147 67.6816 -31.2252 66.3925 31.6203 23.629 -29.2785 24.3628 23.9793 TIMING: 1922200 CPU: 6006.38, 0.00310395/step Wall: 6006.38, 0.00310395/step, 2.65371 hours remaining, 234.109375 MB of memory in use. ENERGY: 1922200 3996.1632 20541.5569 14616.0792 259.3358 -202908.9287 2605.4317 0.0000 0.0000 52150.2869 -108740.0749 299.7084 -160890.3619 -108374.5607 299.6290 -247.3545 -217.0601 764091.9827 2.9449 2.7950 PRESSURE: 1922400 22.4516 209.275 122.298 209.274 109.633 -65.5962 122.297 -65.5944 26.1984 GPRESSURE: 1922400 37.2522 10.447 55.6272 140.787 225.579 7.20098 206.982 -187.707 -29.54 PRESSAVG: 1922400 8.63657 -11.6366 -5.83232 -11.6365 14.0101 -21.3526 -5.83237 -21.3526 13.3713 GPRESSAVG: 1922400 9.31006 -12.2193 -5.42055 -9.86972 14.1346 -19.0535 -7.37962 -22.7276 13.1977 TIMING: 1922400 CPU: 6007, 0.00311366/step Wall: 6007, 0.00311366/step, 2.66183 hours remaining, 234.109375 MB of memory in use. ENERGY: 1922400 3958.3860 20615.2217 14557.4843 262.5410 -203171.9802 3015.0137 0.0000 0.0000 51974.5459 -108788.7876 298.6984 -160763.3336 -108431.1448 299.8492 52.7609 77.7636 762043.4628 12.0060 12.2141 PRESSURE: 1922600 -94.0914 -4.48616 42.9504 -4.48595 -17.2338 54.6453 42.9503 54.6458 -377.294 GPRESSURE: 1922600 -82.1372 18.9282 64.9541 -135.905 18.1365 99.5582 -65.8767 71.1971 -357.293 PRESSAVG: 1922600 -98.0181 10.2639 -12.2129 10.2639 79.4403 -12.3344 -12.2129 -12.3344 14.9161 GPRESSAVG: 1922600 -98.1138 11.6863 -9.67542 9.55717 78.6607 -15.0274 -13.4905 -9.48068 15.6601 TIMING: 1922600 CPU: 6007.63, 0.00312366/step Wall: 6007.63, 0.00312366/step, 2.67021 hours remaining, 234.109375 MB of memory in use. ENERGY: 1922600 3994.0172 20611.1084 14532.3362 276.0243 -203052.4650 2658.0846 0.0000 0.0000 52056.1962 -108924.6982 299.1677 -160980.8944 -108562.9433 299.3499 -162.8732 -140.4313 764620.7082 -1.2206 -1.2643 PRESSURE: 1922800 115.057 88.8729 -192.42 88.872 351.688 -54.8589 -192.42 -54.8588 308.886 GPRESSURE: 1922800 183.071 107.92 -222.86 74.553 372.356 -31.8975 -95.0346 1.80198 308.177 PRESSAVG: 1922800 -21.3223 34.6532 -13.3778 34.6532 11.8162 -45.401 -13.3778 -45.4011 -13.1066 GPRESSAVG: 1922800 -21.3986 36.6555 -15.8055 34.0023 12.5703 -45.0591 -12.0062 -47.5554 -13.1549 TIMING: 1922800 CPU: 6008.25, 0.00312554/step Wall: 6008.25, 0.00312554/step, 2.67164 hours remaining, 234.109375 MB of memory in use. ENERGY: 1922800 3930.7234 20431.5368 14525.6110 246.9862 -203398.8744 2985.3262 0.0000 0.0000 52127.4814 -109151.2093 299.5774 -161278.6907 -108790.2936 298.9386 258.5434 287.8677 764261.8029 -7.5376 -7.3277 PRESSURE: 1923000 -576.252 55.9933 47.4881 55.9936 -195.132 101.14 47.4884 101.14 181.142 GPRESSURE: 1923000 -464.103 148.419 4.86586 179.043 -184.607 58.8937 30.2714 58.4094 155.905 PRESSAVG: 1923000 -65.5534 47.7347 -1.80134 47.7347 38.5355 -0.391887 -1.80134 -0.391931 25.3552 GPRESSAVG: 1923000 -65.2915 44.8466 -0.943271 48.9951 36.9116 -0.264494 -1.3569 0.0366457 26.3831 TIMING: 1923000 CPU: 6008.88, 0.00313401/step Wall: 6008.88, 0.00313401/step, 2.67871 hours remaining, 234.109375 MB of memory in use. ENERGY: 1923000 4058.5944 20420.8206 14581.9092 261.7335 -203056.4370 2546.5200 0.0000 0.0000 51808.9524 -109377.9069 297.7468 -161186.8593 -109012.5252 298.5573 -196.7473 -164.2682 764923.1851 -0.5542 -0.6656 PRESSURE: 1923200 -156.231 -64.0487 -256.077 -64.0485 77.7391 -15.8169 -256.077 -15.8177 523.622 GPRESSURE: 1923200 -84.0224 -67.7816 -195.419 -117.852 137.577 29.2538 -198.937 -86.7061 488.065 PRESSAVG: 1923200 -50.1576 61.9894 -29.2704 61.9894 29.8992 -30.4684 -29.2703 -30.4684 3.22983 GPRESSAVG: 1923200 -49.6663 63.1853 -29.1164 60.4633 30.8168 -29.8332 -29.6106 -29.694 1.98663 TIMING: 1923200 CPU: 6009.51, 0.00315746/step Wall: 6009.51, 0.00315746/step, 2.69857 hours remaining, 234.109375 MB of memory in use. ENERGY: 1923200 4016.9877 20663.9719 14523.2413 227.8612 -203782.7131 3002.2906 0.0000 0.0000 51894.8680 -109453.4923 298.2405 -161348.3603 -109095.7513 298.2523 148.3769 180.5398 762945.6132 -5.6762 -5.6209 PRESSURE: 1923400 -142.987 104.12 21.8152 104.12 -199.053 -251.919 21.815 -251.919 -432.118 GPRESSURE: 1923400 -136.279 80.6729 -25.0653 70.8793 -171.647 -282.466 -7.13484 -118.811 -394.737 PRESSAVG: 1923400 -13.8373 68.5282 9.8336 68.5283 -2.97672 -1.74955 9.83351 -1.74952 -3.84462 GPRESSAVG: 1923400 -14.835 69.0135 9.79037 68.0916 -2.15907 -1.20232 11.12 -0.935823 -3.83032 TIMING: 1923400 CPU: 6010.14, 0.00312784/step Wall: 6010.14, 0.00312784/step, 2.67308 hours remaining, 234.109375 MB of memory in use. ENERGY: 1923400 4047.7566 20571.7085 14562.8509 261.4788 -203307.5299 2572.5740 0.0000 0.0000 51899.1332 -109392.0278 298.2650 -161291.1610 -109034.0399 298.5013 -258.0526 -234.2209 764030.9336 -6.8862 -6.9415 PRESSURE: 1923600 -268.939 -101.692 123.456 -101.693 -261.003 164.029 123.456 164.031 -258.404 GPRESSURE: 1923600 -273.877 8.91116 94.1134 -4.41955 -228.696 156.018 -83.4774 86.2585 -193.62 PRESSAVG: 1923600 -10.2882 21.9859 -21.5885 21.9859 -2.18841 -47.5462 -21.5885 -47.5462 -3.02105 GPRESSAVG: 1923600 -10.573 23.1371 -21.7521 22.1321 -0.564038 -48.463 -23.2371 -46.9353 -4.18302 TIMING: 1923600 CPU: 6010.76, 0.00312961/step Wall: 6010.76, 0.00312961/step, 2.67443 hours remaining, 234.109375 MB of memory in use. ENERGY: 1923600 4031.4809 20583.2472 14373.4031 240.2036 -203335.0245 2681.4721 0.0000 0.0000 52054.9351 -109370.2824 299.1604 -161425.2175 -108994.6167 298.2445 -262.7821 -232.0645 764319.1522 -5.1659 -5.1067 PRESSURE: 1923800 -26.2729 68.9563 174.912 68.9563 81.8106 229.842 174.912 229.842 3.96253 GPRESSURE: 1923800 -13.2826 115.325 169.302 46.9319 154.283 271.336 141.556 137.066 4.39489 PRESSAVG: 1923800 10.6502 29.2525 26.9907 29.2525 -38.8478 44.9453 26.9907 44.9453 -0.319159 GPRESSAVG: 1923800 10.001 26.7218 27.1925 28.0758 -39.4905 44.7316 27.8249 42.7922 0.878043 TIMING: 1923800 CPU: 6011.39, 0.00313527/step Wall: 6011.39, 0.00313527/step, 2.67909 hours remaining, 234.109375 MB of memory in use. ENERGY: 1923800 3964.5799 20639.5069 14553.7577 255.1262 -203292.9114 2832.7792 0.0000 0.0000 51873.4649 -109173.6965 298.1175 -161047.1614 -108797.5796 298.6758 19.8334 48.4651 764109.2030 -9.5056 -9.5372 PRESSURE: 1924000 -3.82581 -131.795 -173.928 -131.796 -26.3902 -96.5886 -173.928 -96.589 -84.7627 GPRESSURE: 1924000 40.5641 -244.561 -170.083 -51.334 -37.6452 -99.0435 -142.472 -176.772 -40.0158 PRESSAVG: 1924000 47.0739 -6.60471 48.5736 -6.60475 -25.229 -38.8241 48.5737 -38.8241 -6.22309 GPRESSAVG: 1924000 48.0195 -4.68509 47.112 -7.41574 -25.8354 -39.5482 49.0614 -38.2669 -6.43435 TIMING: 1924000 CPU: 6012.01, 0.00311901/step Wall: 6012.01, 0.00311901/step, 2.66502 hours remaining, 234.109375 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: 1924000 3990.2673 20617.1093 14589.4450 251.8870 -203733.6958 3049.2587 0.0000 0.0000 52027.8139 -109207.9147 299.0046 -161235.7285 -108848.2284 299.0526 -38.3263 -12.3657 764018.9408 5.2073 5.2499 PRESSURE: 1924200 10.9449 -179.117 -223.048 -179.117 -419.359 -83.1817 -223.048 -83.182 201.736 GPRESSURE: 1924200 -18.9281 -221.583 -201.624 -130.914 -311.461 -97.7712 -186.957 -112.728 215.116 PRESSAVG: 1924200 -0.100578 -29.4506 -32.833 -29.4507 2.28409 -74.9348 -32.833 -74.9348 9.73765 GPRESSAVG: 1924200 2.14306 -30.1436 -31.693 -26.5027 1.53097 -74.3012 -32.2199 -72.8949 8.44366 TIMING: 1924200 CPU: 6012.64, 0.003119/step Wall: 6012.64, 0.003119/step, 2.66484 hours remaining, 234.109375 MB of memory in use. ENERGY: 1924200 3957.5279 20419.4153 14490.5564 256.5808 -203059.0461 2617.8505 0.0000 0.0000 52018.6312 -109298.4840 298.9518 -161317.1152 -108929.2054 298.9207 -68.8927 -38.4243 763543.7711 3.9737 4.0392 LDB: ============= START OF LOAD BALANCING ============== 6025.12 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6025.12 LDB: =============== DONE WITH MIGRATION ================ 6025.12 LDB: ============= START OF LOAD BALANCING ============== 6025.43 LDB: Largest compute 6985 load 0.030574 is 15.7% of average load 0.195004 LDB: Average compute 0.004404 is 2.3% of average load 0.195004 LDB: TIME 6025.43 LOAD: AVG 0.195004 MAX 0.219066 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.598 MB LDB: TIME 6025.43 LOAD: AVG 0.195004 MAX 0.219066 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.598 MB LDB: TIME 6025.43 LOAD: AVG 0.195004 MAX 0.216577 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.598 MB LDB: ============== END OF LOAD BALANCING =============== 6025.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6025.44 PRESSURE: 1924400 -28.6368 -115.615 -130.63 -115.615 -261.636 53.8426 -130.63 53.8432 90.6332 GPRESSURE: 1924400 -33.0627 -103.079 -238.703 -209.327 -202.87 109.549 36.7298 -39.3672 113.349 PRESSAVG: 1924400 -12.7987 25.9346 6.25404 25.9346 25.7521 -51.42 6.25403 -51.42 45.6161 GPRESSAVG: 1924400 -14.9652 25.3493 5.2561 25.3882 26.3872 -50.547 5.61863 -54.1754 46.5796 TIMING: 1924400 CPU: 6013.28, 0.00320119/step Wall: 6013.28, 0.00320119/step, 2.73488 hours remaining, 234.367188 MB of memory in use. ENERGY: 1924400 3982.7694 20457.3835 14553.4827 231.4750 -203131.6205 2653.6036 0.0000 0.0000 51944.2206 -109308.6858 298.5241 -161252.9063 -108941.5505 298.3964 -66.5466 -40.8613 762317.0764 19.5232 19.3339 PRESSURE: 1924600 47.4143 -53.4363 -4.22459 -53.4372 -209.273 31.4768 -4.22326 31.4768 -3.91074 GPRESSURE: 1924600 81.0409 -18.1919 66.9725 -46.8742 -78.1048 -29.5845 30.5591 36.8397 -75.1212 PRESSAVG: 1924600 75.3506 40.8774 -22.961 40.8774 -70.8043 6.72207 -22.9611 6.72209 1.48964 GPRESSAVG: 1924600 76.4677 38.9899 -21.2667 41.3954 -70.523 7.35255 -24.8636 6.51087 0.397591 TIMING: 1924600 CPU: 6013.9, 0.00313525/step Wall: 6013.9, 0.00313525/step, 2.67838 hours remaining, 234.367188 MB of memory in use. ENERGY: 1924600 4022.2091 20379.0637 14422.1213 262.9790 -203392.8371 2652.9841 0.0000 0.0000 52134.1510 -109519.3291 299.6157 -161653.4800 -109154.5628 298.3208 -55.2565 -24.0617 761507.8157 2.0120 2.1141 PRESSURE: 1924800 162.927 42.2115 -22.8948 42.2117 0.396727 -178.936 -22.8949 -178.936 -169.237 GPRESSURE: 1924800 151.013 89.3525 -109.313 79.333 17.3731 -115.772 -202.823 -96.23 -114.19 PRESSAVG: 1924800 -1.1592 31.686 -24.7056 31.6859 19.6968 -32.533 -24.7056 -32.5329 17.8628 GPRESSAVG: 1924800 -2.05379 34.5097 -24.9203 30.4701 18.5245 -33.595 -22.2216 -32.7381 19.7732 TIMING: 1924800 CPU: 6014.53, 0.00313318/step Wall: 6014.53, 0.00313318/step, 2.67643 hours remaining, 234.367188 MB of memory in use. ENERGY: 1924800 3964.4045 20724.1867 14342.2556 263.3421 -203239.5523 2644.1087 0.0000 0.0000 51966.7625 -109334.4922 298.6537 -161301.2546 -108969.8778 298.5751 -1.9712 18.0652 760516.1081 12.1334 12.0813 PRESSURE: 1925000 -48.3659 21.2035 13.4874 21.2036 248.825 -151.839 13.4873 -151.839 6.29533 GPRESSURE: 1925000 65.0228 -119.944 48.3566 -15.1223 213.335 -213.986 122.166 -46.1981 20.7448 PRESSAVG: 1925000 33.4391 4.86232 69.9437 4.86231 -16.011 -29.8771 69.9437 -29.877 -14.221 GPRESSAVG: 1925000 33.7901 4.99122 70.891 5.46118 -14.9935 -28.5715 67.8164 -28.5695 -15.3387 TIMING: 1925000 CPU: 6015.15, 0.0031091/step Wall: 6015.15, 0.0031091/step, 2.65569 hours remaining, 234.367188 MB of memory in use. ENERGY: 1925000 4010.2302 20481.8982 14452.9402 235.3639 -203603.9873 2888.1733 0.0000 0.0000 51888.2722 -109647.1093 298.2026 -161535.3815 -109279.0021 298.3744 68.9183 99.7010 760563.2759 1.0690 1.1526 PRESSURE: 1925200 14.6823 52.737 0.118554 52.7366 -197.536 41.1671 0.119197 41.1688 -121.42 GPRESSURE: 1925200 15.6628 79.8203 53.7292 62.8599 -115.305 63.4864 -56.6617 30.1012 -129.867 PRESSAVG: 1925200 -14.1114 42.6194 23.3101 42.6194 -8.91809 4.47532 23.31 4.47532 -6.58818 GPRESSAVG: 1925200 -13.7075 42.9518 24.4585 42.5961 -9.20545 1.39152 23.1535 6.91815 -6.398 TIMING: 1925200 CPU: 6015.78, 0.00312076/step Wall: 6015.78, 0.00312076/step, 2.66547 hours remaining, 234.367188 MB of memory in use. ENERGY: 1925200 3927.3674 20330.2314 14506.0575 258.9103 -202997.7155 2432.8402 0.0000 0.0000 51894.9994 -109647.3092 298.2413 -161542.3087 -109287.7059 298.3746 -101.4244 -76.5033 761524.4772 -9.8726 -9.7703 PRESSURE: 1925400 -235.194 224.939 186.959 224.939 -114.8 88.8984 186.96 88.898 46.7362 GPRESSURE: 1925400 -262.854 195.668 195.559 198.182 -33.4183 167.674 166.525 142.897 78.2351 PRESSAVG: 1925400 6.13003 34.0118 -31.8553 34.0118 0.885993 -25.7655 -31.8553 -25.7656 -13.9505 GPRESSAVG: 1925400 4.84089 32.3508 -33.0858 35.4207 1.89356 -24.3248 -31.4389 -27.4547 -13.7406 TIMING: 1925400 CPU: 6016.4, 0.00312653/step Wall: 6016.4, 0.00312653/step, 2.67023 hours remaining, 234.367188 MB of memory in use. ENERGY: 1925400 3927.4555 20410.9365 14528.9239 270.6462 -203167.8328 2485.8158 0.0000 0.0000 51780.8985 -109763.1564 297.5855 -161544.0549 -109400.8406 297.9347 -101.0861 -72.6791 760983.1121 -2.3115 -2.3354 PRESSURE: 1925600 143.354 -42.0938 -6.97545 -42.0937 -22.6246 317.64 -6.97579 317.639 110.012 GPRESSURE: 1925600 220.408 -89.8104 -49.8329 -102.952 12.749 319.549 62.0693 240.379 84.3474 PRESSAVG: 1925600 -59.1636 66.1035 -28.8792 66.1035 -1.96761 34.135 -28.8793 34.1349 -14.7348 GPRESSAVG: 1925600 -58.8111 68.2191 -30.4777 64.5936 -2.95933 34.3834 -28.605 31.1287 -14.0417 TIMING: 1925600 CPU: 6017.02, 0.00311817/step Wall: 6017.02, 0.00311817/step, 2.66292 hours remaining, 234.367188 MB of memory in use. ENERGY: 1925600 3951.9131 20459.6503 14522.7791 229.6564 -203328.3463 2526.8620 0.0000 0.0000 51974.4659 -109663.0195 298.6980 -161637.4854 -109301.1200 298.2318 76.9138 105.8348 762761.7495 -25.2887 -25.2707 PRESSURE: 1925800 106.099 296.423 41.643 296.423 -46.8565 -55.0504 41.6431 -55.0486 574.461 GPRESSURE: 1925800 120.578 234.386 86.5836 244.939 44.0552 -37.936 -9.11692 -106.486 550.796 PRESSAVG: 1925800 -7.44559 67.8665 4.22228 67.8665 18.7237 19.3404 4.22224 19.3404 -11.471 GPRESSAVG: 1925800 -6.81643 65.5948 3.03931 68.6637 19.1602 18.4864 6.06328 20.4346 -11.8328 TIMING: 1925800 CPU: 6017.65, 0.00311381/step Wall: 6017.65, 0.00311381/step, 2.65902 hours remaining, 234.367188 MB of memory in use. ENERGY: 1925800 3980.3303 20325.9577 14496.1135 242.9494 -203627.0209 2888.9447 0.0000 0.0000 51996.7871 -109695.9383 298.8263 -161692.7254 -109333.1080 298.4629 211.2344 238.4764 762869.6102 -0.0643 0.1703 PRESSURE: 1926000 231.962 -33.1872 352.914 -33.1864 -112.753 -27.0694 352.912 -27.0691 -231.348 GPRESSURE: 1926000 161.97 -71.6317 272.817 64.8511 -82.0089 -26.2821 249.317 24.8509 -119.931 PRESSAVG: 1926000 59.9405 54.184 1.91962 54.184 -37.1349 58.8175 1.91957 58.8176 -2.67172 GPRESSAVG: 1926000 59.3035 55.6458 3.29783 52.7596 -36.844 58.9762 0.0185828 61.1121 -2.45928 TIMING: 1926000 CPU: 6018.27, 0.00313556/step Wall: 6018.27, 0.00313556/step, 2.67742 hours remaining, 234.367188 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: 1926000 4039.3926 20479.4042 14437.3168 246.1986 -203505.0764 2899.5998 0.0000 0.0000 51884.8608 -109518.3036 298.1830 -161403.1644 -109162.5598 298.6005 -37.3795 -13.3232 763930.5551 6.7113 6.6667 PRESSURE: 1926200 24.9027 29.5816 -339.593 29.5817 -41.3607 -77.4896 -339.592 -77.4902 -233.701 GPRESSURE: 1926200 48.6768 98.7068 -351.219 5.85225 -6.00187 -125.634 -187.139 -80.1399 -194.453 PRESSAVG: 1926200 -8.34115 17.6892 -3.7126 17.6891 18.9994 46.9466 -3.71261 46.9466 23.2101 GPRESSAVG: 1926200 -7.40815 17.418 -3.79141 19.0784 19.6476 48.2927 -4.34413 44.3984 22.0383 TIMING: 1926200 CPU: 6018.9, 0.0031376/step Wall: 6018.9, 0.0031376/step, 2.67899 hours remaining, 234.367188 MB of memory in use. ENERGY: 1926200 3956.9267 20463.0134 14512.3121 243.1135 -203345.5198 2574.5230 0.0000 0.0000 52113.9494 -109481.6818 299.4996 -161595.6312 -109115.8634 298.5824 -83.3862 -50.5926 762318.9768 11.2894 11.4259 PRESSURE: 1926400 196.502 123.127 94.7864 123.127 172.833 14.6003 94.7872 14.6003 -51.7351 GPRESSURE: 1926400 189.725 106.135 132.398 -1.02138 241.355 72.9416 65.8489 38.0905 -10.752 PRESSAVG: 1926400 2.62359 53.4902 -22.4254 53.4901 -7.26425 13.2372 -22.4254 13.2371 3.70227 GPRESSAVG: 1926400 1.87185 53.619 -21.5865 53.3272 -7.52295 11.9189 -21.2398 13.507 4.68605 TIMING: 1926400 CPU: 6019.53, 0.00314271/step Wall: 6019.53, 0.00314271/step, 2.68317 hours remaining, 234.367188 MB of memory in use. ENERGY: 1926400 4028.0170 20516.1868 14480.5076 249.4711 -203505.1141 2865.4568 0.0000 0.0000 52112.3111 -109253.1638 299.4902 -161365.4749 -108895.7094 298.8447 105.8667 140.1091 763583.6639 -0.3128 -0.3217 PRESSURE: 1926600 -202.805 36.6627 109.753 36.6628 -88.0654 4.36579 109.753 4.36588 188.687 GPRESSURE: 1926600 -150.401 -116.197 112.906 -134.129 -45.8109 -0.344568 51.503 -80.4254 162.757 PRESSAVG: 1926600 15.4896 35.4993 87.7483 35.4993 -32.5358 96.5988 87.7483 96.5987 -2.95612 GPRESSAVG: 1926600 15.7716 34.9229 88.2718 33.7515 -32.1671 97.5962 87.2972 97.5435 -3.42201 TIMING: 1926600 CPU: 6020.15, 0.00311937/step Wall: 6020.15, 0.00311937/step, 2.66308 hours remaining, 234.367188 MB of memory in use. ENERGY: 1926600 4046.3474 20471.1039 14457.2007 247.8395 -203546.0667 2740.2621 0.0000 0.0000 52141.7592 -109441.5538 299.6594 -161583.3131 -109078.2470 298.8017 -34.0613 -11.1516 764464.2770 -6.6674 -6.6058 PRESSURE: 1926800 142.443 146.228 -196.541 146.228 -10.3861 69.3779 -196.541 69.3785 177.832 GPRESSURE: 1926800 93.3856 83.2756 -192.773 118.168 104.891 22.5865 -292.717 1.40776 178.545 PRESSAVG: 1926800 12.5153 18.9708 31.8943 18.9707 -45.4206 59.7111 31.8943 59.711 11.1846 GPRESSAVG: 1926800 11.3994 20.1355 29.4237 19.9451 -45.1085 60.1315 33.1306 56.4741 12.2952 TIMING: 1926800 CPU: 6020.79, 0.00316207/step Wall: 6020.79, 0.00316207/step, 2.69936 hours remaining, 234.367188 MB of memory in use. ENERGY: 1926800 4010.0206 20507.6081 14536.9798 237.4947 -203227.4976 2755.3542 0.0000 0.0000 51755.0269 -109425.0133 297.4369 -161180.0402 -109064.5744 298.8975 103.2961 125.6073 762675.6705 -7.2403 -7.1380 PRESSURE: 1927000 -48.7767 -69.7598 36.3317 -69.7593 -78.3963 273.702 36.3314 273.701 -38.8204 GPRESSURE: 1927000 30.8483 -207.357 23.9266 -35.1749 -52.5042 246.127 76.5317 261.044 -69.0258 PRESSAVG: 1927000 -12.4056 71.1543 24.9462 71.1544 11.2262 42.5027 24.9462 42.5027 0.844327 GPRESSAVG: 1927000 -10.777 68.8325 25.8943 72.728 9.98597 40.8674 23.6666 44.3343 0.32032 TIMING: 1927000 CPU: 6021.42, 0.00315292/step Wall: 6021.42, 0.00315292/step, 2.69137 hours remaining, 234.367188 MB of memory in use. ENERGY: 1927000 4017.7590 20302.6979 14540.0113 242.7181 -203404.7702 2664.3703 0.0000 0.0000 52093.2041 -109544.0096 299.3804 -161637.2136 -109175.8205 298.4795 -55.3311 -30.2272 762943.4653 -0.1117 -0.1569 PRESSURE: 1927200 40.9053 -152.86 21.0051 -152.86 12.4346 178.917 21.0046 178.918 248.586 GPRESSURE: 1927200 -35.8815 -185.22 -41.2586 -213.605 188.897 198.612 0.215224 107.889 247.825 PRESSAVG: 1927200 28.6821 54.8717 39.278 54.8717 -11.4077 25.5703 39.2779 25.5704 -8.7144 GPRESSAVG: 1927200 28.8726 55.6706 40.8139 53.9902 -12.161 25.5171 39.3593 27.4525 -8.41687 TIMING: 1927200 CPU: 6022.05, 0.00314096/step Wall: 6022.05, 0.00314096/step, 2.68098 hours remaining, 234.367188 MB of memory in use. ENERGY: 1927200 3990.4282 20514.5787 14568.2374 256.7412 -203342.3471 2937.6131 0.0000 0.0000 51732.9262 -109341.8223 297.3098 -161074.7485 -108989.6812 298.1218 100.6420 133.6136 762931.9920 2.8534 2.7649 PRESSURE: 1927400 -282.628 130.698 6.17507 130.697 257.29 -21.5234 6.1755 -21.5239 126.091 GPRESSURE: 1927400 -213.485 34.2422 -1.48354 140.793 271.641 -25.5085 24.2533 60.4587 129.634 PRESSAVG: 1927400 -15.5301 50.9501 -28.6392 50.9501 42.6301 -24.4714 -28.6392 -24.4714 0.804688 GPRESSAVG: 1927400 -15.7892 52.0651 -28.578 48.9004 42.9804 -24.3527 -29.9512 -25.4801 1.17117 TIMING: 1927400 CPU: 6022.67, 0.003138/step Wall: 6022.67, 0.003138/step, 2.67828 hours remaining, 234.367188 MB of memory in use. ENERGY: 1927400 3995.9547 20460.4770 14541.2414 251.3904 -203163.7230 2580.4860 0.0000 0.0000 52166.0526 -109168.1210 299.7990 -161334.1736 -108802.8294 298.8685 33.5843 62.5966 763185.6319 9.3016 9.4541 PRESSURE: 1927600 -34.6756 88.2705 -147.378 88.2712 -514.385 76.7382 -147.377 76.7382 121.497 GPRESSURE: 1927600 37.9248 149.501 -34.4844 40.3659 -549.556 9.34738 -82.1831 73.1226 150.968 PRESSAVG: 1927600 18.3107 14.2586 -27.4828 14.2586 -41.5981 15.8478 -27.4828 15.8477 -15.2513 GPRESSAVG: 1927600 18.5495 12.8822 -25.471 14.8122 -40.9847 18.9878 -27.3159 14.8209 -16.3671 TIMING: 1927600 CPU: 6023.3, 0.00313566/step Wall: 6023.3, 0.00313566/step, 2.67611 hours remaining, 234.367188 MB of memory in use. ENERGY: 1927600 3947.1984 20561.5533 14550.0271 262.1614 -203320.6464 2596.7110 0.0000 0.0000 52238.1972 -109164.7980 300.2136 -161402.9952 -108802.3821 299.2770 -142.5214 -120.2211 765340.9460 -12.8462 -12.9341 PRESSURE: 1927800 -319.757 147.671 63.18 147.67 141.664 103.799 63.179 103.799 347.622 GPRESSURE: 1927800 -295.884 212.881 48.0188 222.125 194.092 104.944 48.1044 -31.0759 345.32 PRESSAVG: 1927800 -9.80659 31.6264 11.3346 31.6264 -36.5289 17.3031 11.3346 17.303 -12.5082 GPRESSAVG: 1927800 -9.49798 33.8259 10.1574 33.6219 -37.854 15.855 11.6775 15.272 -11.2343 TIMING: 1927800 CPU: 6023.93, 0.00312936/step Wall: 6023.93, 0.00312936/step, 2.67056 hours remaining, 234.367188 MB of memory in use. ENERGY: 1927800 3992.6929 20550.8930 14558.3590 239.7108 -202994.1192 2757.8369 0.0000 0.0000 51710.1366 -109184.4901 297.1789 -160894.6267 -108824.5014 298.8276 56.5098 81.1763 764064.4572 -19.6146 -19.5288 PRESSURE: 1928000 -7.57415 163.242 32.183 163.241 201.398 -64.8035 32.1833 -64.8043 -115.799 GPRESSURE: 1928000 23.2336 217.271 111.443 165.76 242.374 -176.265 100.937 148.142 -115.892 PRESSAVG: 1928000 -39.7022 35.9707 -15.2852 35.9708 25.6279 38.9226 -15.2851 38.9226 15.8011 GPRESSAVG: 1928000 -39.6242 34.6315 -16.3339 34.6175 26.8951 38.6092 -14.1232 42.4006 14.2651 TIMING: 1928000 CPU: 6024.55, 0.00312437/step Wall: 6024.55, 0.00312437/step, 2.66613 hours remaining, 234.367188 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: 1928000 4013.6582 20493.5933 14508.0344 265.8701 -203522.0197 3048.5206 0.0000 0.0000 52092.0151 -109100.3280 299.3735 -161192.3431 -108741.3555 299.0793 26.0080 49.9053 764301.1322 0.5756 0.5120 PRESSURE: 1928200 362.047 -147.827 44.3893 -147.827 -60.585 -132.741 44.3888 -132.741 106.084 GPRESSURE: 1928200 371.569 -128.235 78.0904 -85.4679 13.4935 -40.9543 -14.8483 -106.096 96.7855 PRESSAVG: 1928200 47.3903 -3.35553 33.2289 -3.35557 -39.6519 41.8801 33.2289 41.8801 8.73611 GPRESSAVG: 1928200 47.111 -2.56726 35.6862 -2.81154 -38.6735 41.4285 31.4796 43.1787 8.24031 TIMING: 1928200 CPU: 6025.17, 0.00311032/step Wall: 6025.17, 0.00311032/step, 2.65396 hours remaining, 234.367188 MB of memory in use. ENERGY: 1928200 3914.8047 20467.9288 14511.9361 246.9669 -203295.4200 3066.5076 0.0000 0.0000 52039.4603 -109047.8156 299.0715 -161087.2759 -108686.8478 299.2974 135.8489 160.6161 764224.4189 5.4915 5.5593 LDB: ============= START OF LOAD BALANCING ============== 6037.65 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6037.65 LDB: =============== DONE WITH MIGRATION ================ 6037.65 LDB: ============= START OF LOAD BALANCING ============== 6037.96 LDB: Largest compute 7007 load 0.031182 is 16.0% of average load 0.194927 LDB: Average compute 0.004433 is 2.3% of average load 0.194927 LDB: TIME 6037.97 LOAD: AVG 0.194927 MAX 0.216969 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.395 MB LDB: TIME 6037.97 LOAD: AVG 0.194927 MAX 0.216969 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.395 MB LDB: TIME 6037.97 LOAD: AVG 0.194927 MAX 0.216969 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.395 MB LDB: ============== END OF LOAD BALANCING =============== 6037.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6037.97 PRESSURE: 1928400 -227.248 -49.4237 106.848 -49.4229 -165.655 187.874 106.849 187.874 -262.549 GPRESSURE: 1928400 -202.471 26.1192 35.0099 -54.4192 -103.513 150.758 60.26 123.109 -256.44 PRESSAVG: 1928400 29.8562 27.98 49.6485 27.98 -17.8823 -4.87701 49.6485 -4.877 -8.55693 GPRESSAVG: 1928400 29.5157 28.2865 47.7625 26.1044 -18.6523 -5.09705 50.1532 -5.58142 -7.22948 TIMING: 1928400 CPU: 6025.81, 0.00317406/step Wall: 6025.81, 0.00317406/step, 2.70817 hours remaining, 234.109375 MB of memory in use. ENERGY: 1928400 4017.9804 20538.3783 14572.6955 264.5336 -203351.9720 3047.8317 0.0000 0.0000 51929.2685 -108981.2841 298.4382 -160910.5527 -108624.2622 299.5721 -218.4838 -187.4749 766010.1806 1.1390 1.2113 PRESSURE: 1928600 -155.388 -151.933 20.398 -151.932 -200.119 105.907 20.3975 105.905 88.2615 GPRESSURE: 1928600 -140.006 -205.269 -94.3841 -73.1424 -157.694 114.534 193.503 14.8259 120.588 PRESSAVG: 1928600 2.44341 -10.0087 42.7716 -10.0087 -37.1429 0.655922 42.7716 0.655879 3.68687 GPRESSAVG: 1928600 4.06875 -10.706 41.2969 -7.72699 -37.8433 2.90002 43.4508 -2.01127 3.00133 TIMING: 1928600 CPU: 6026.43, 0.00312597/step Wall: 6026.43, 0.00312597/step, 2.66698 hours remaining, 234.308594 MB of memory in use. ENERGY: 1928600 3980.6142 20556.9043 14620.1807 244.2541 -203331.7940 2656.9833 0.0000 0.0000 52311.7803 -108961.0771 300.6365 -161272.8574 -108596.5081 299.6400 -89.0820 -59.0371 765070.1145 -10.3375 -10.2577 PRESSURE: 1928800 -113.859 -42.6048 -58.9124 -42.6042 -167.98 57.16 -58.911 57.1616 -203.377 GPRESSURE: 1928800 -38.708 -42.1919 -83.2433 -5.49306 -220.339 121.223 -43.7654 102.201 -154.161 PRESSAVG: 1928800 30.8829 -14.6537 -6.1487 -14.6537 -59.2203 11.1898 -6.14872 11.1898 -5.18104 GPRESSAVG: 1928800 30.3744 -16.2541 -6.67972 -15.6933 -58.5634 9.83483 -5.9639 12.0347 -5.14593 TIMING: 1928800 CPU: 6027.06, 0.00313268/step Wall: 6027.06, 0.00313268/step, 2.67253 hours remaining, 234.308594 MB of memory in use. ENERGY: 1928800 4023.7269 20367.3905 14589.1305 237.6154 -203449.6740 2797.4773 0.0000 0.0000 52314.8732 -109119.4602 300.6543 -161434.3335 -108754.0251 300.0898 -161.7383 -137.7360 762967.7389 -11.1728 -11.1116 PRESSURE: 1929000 -19.5748 131.152 -77.7525 131.151 3.85903 -111.431 -77.7525 -111.431 236.846 GPRESSURE: 1929000 -55.7644 186.35 -60.6559 135.115 126.768 -138.459 -0.210166 -12.5271 240.82 PRESSAVG: 1929000 44.2377 38.5879 -26.4461 38.5878 -9.05954 3.37625 -26.4461 3.37625 7.11761 GPRESSAVG: 1929000 42.7991 39.7527 -25.12 37.9692 -7.62142 2.66535 -28.5697 3.82942 7.27637 TIMING: 1929000 CPU: 6027.68, 0.00312303/step Wall: 6027.68, 0.00312303/step, 2.66412 hours remaining, 234.308594 MB of memory in use. ENERGY: 1929000 3941.2958 20390.0025 14516.5152 247.6331 -203699.5477 2810.6084 0.0000 0.0000 52402.7401 -109390.7526 301.1593 -161793.4927 -109016.9402 298.8899 73.7102 103.9411 762343.5607 14.0986 14.1513 PRESSURE: 1929200 247.695 219.643 112.806 219.643 290.06 -115.088 112.806 -115.089 386.482 GPRESSURE: 1929200 304.388 212.876 44.1612 376.154 204.939 -142.182 39.2923 -32.6167 489.603 PRESSAVG: 1929200 8.78538 39.8457 1.64264 39.8457 -9.53637 -34.7849 1.64257 -34.7849 4.46999 GPRESSAVG: 1929200 10.1723 42.9253 0.821817 41.0479 -11.1608 -33.278 1.9645 -34.402 5.19842 TIMING: 1929200 CPU: 6028.31, 0.00313338/step Wall: 6028.31, 0.00313338/step, 2.67277 hours remaining, 234.308594 MB of memory in use. ENERGY: 1929200 3903.3166 20435.0092 14504.1341 256.1105 -203679.9098 2900.9297 0.0000 0.0000 51946.5591 -109733.8506 298.5376 -161680.4097 -109372.7133 298.7627 308.0788 332.9768 762917.2215 1.2397 1.4033 PRESSURE: 1929400 15.311 -10.9354 114.223 -10.9347 102.886 -159.716 114.223 -159.716 400.08 GPRESSURE: 1929400 68.3235 -124.316 108.788 29.851 103.451 -225.255 69.456 -21.101 423.585 PRESSAVG: 1929400 16.065 96.4344 -26.6465 96.4343 23.9314 -14.8194 -26.6464 -14.8194 3.63012 GPRESSAVG: 1929400 14.857 92.2416 -25.3915 97.9709 25.0885 -15.645 -28.9285 -15.3192 3.21276 TIMING: 1929400 CPU: 6028.94, 0.00313295/step Wall: 6028.94, 0.00313295/step, 2.67223 hours remaining, 234.308594 MB of memory in use. ENERGY: 1929400 3963.9815 20572.0038 14613.2642 250.9216 -203645.0664 2907.5124 0.0000 0.0000 51863.1162 -109474.2667 298.0580 -161337.3828 -109112.0284 298.1202 172.7592 198.4532 761635.0005 14.5422 14.3861 PRESSURE: 1929600 -524.911 -109.081 36.3663 -109.081 94.5493 123.686 36.3658 123.685 43.8876 GPRESSURE: 1929600 -476.245 -135.702 56.1034 -124.798 142.978 143.93 48.9181 139.564 25.4683 PRESSAVG: 1929600 -67.2672 80.6099 -16.1419 80.6099 46.646 -1.15296 -16.1419 -1.15299 1.18517 GPRESSAVG: 1929600 -66.3393 81.2152 -16.2983 78.0805 45.9144 -0.988299 -13.8685 0.831237 0.887616 TIMING: 1929600 CPU: 6029.56, 0.00313254/step Wall: 6029.56, 0.00313254/step, 2.67171 hours remaining, 234.308594 MB of memory in use. ENERGY: 1929600 4001.9869 20403.0653 14526.4925 252.7713 -203141.0217 2665.7867 0.0000 0.0000 51680.1177 -109610.8013 297.0063 -161290.9191 -109258.2870 297.9829 -128.8247 -102.5995 764479.4820 -6.4787 -6.5124 PRESSURE: 1929800 -114.919 64.8709 17.942 64.8711 28.4926 55.4457 17.9421 55.4476 178.085 GPRESSURE: 1929800 -11.3968 42.8274 28.7126 172.746 -29.8802 34.9431 -37.5833 11.386 230.59 PRESSAVG: 1929800 -4.6407 75.9505 23.3243 75.9505 -24.6376 -28.102 23.3244 -28.1019 -21.6529 GPRESSAVG: 1929800 -5.1582 77.1075 22.9466 76.2208 -23.9175 -27.3555 23.1264 -30.7167 -21.8157 TIMING: 1929800 CPU: 6030.19, 0.00313094/step Wall: 6030.19, 0.00313094/step, 2.67017 hours remaining, 234.308594 MB of memory in use. ENERGY: 1929800 3987.6077 20482.7296 14537.5278 251.8693 -203322.1944 2779.5539 0.0000 0.0000 51901.0673 -109381.8388 298.2761 -161282.9061 -109023.1835 297.9814 30.5526 63.1042 764517.6110 -16.9771 -16.9638 PRESSURE: 1930000 -140.582 -248.584 178.807 -248.584 -21.2068 9.68986 178.808 9.69011 152.959 GPRESSURE: 1930000 -27.5901 -269.002 88.3205 -87.7003 -30.709 14.5891 181.432 81.0379 149.974 PRESSAVG: 1930000 45.3541 -17.6658 43.5195 -17.6657 -38.0427 5.63116 43.5195 5.63119 -13.2651 GPRESSAVG: 1930000 45.8075 -18.6105 41.9014 -16.7638 -38.7651 4.41748 44.9461 4.81223 -13.1146 TIMING: 1930000 CPU: 6030.81, 0.00311077/step Wall: 6030.81, 0.00311077/step, 2.65279 hours remaining, 234.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1930000 3909.7251 20400.8615 14510.2050 232.0787 -203257.0567 2850.0947 0.0000 0.0000 51753.3988 -109600.6929 297.4275 -161354.0917 -109238.2359 298.1555 -2.9432 30.5585 762281.0098 -1.9846 -2.0241 PRESSURE: 1930200 -439.743 241.349 -144.206 241.349 -503.654 219.573 -144.207 219.572 -124.582 GPRESSURE: 1930200 -360.376 171.559 -173.856 296.139 -417.585 354.573 -86.6681 140.163 -218.339 PRESSAVG: 1930200 -6.25015 74.9944 60.4814 74.9944 -7.61559 16.1865 60.4814 16.1865 10.7643 GPRESSAVG: 1930200 -6.20108 75.3105 61.6602 72.3507 -7.37211 18.0874 61.0814 16.5898 10.9095 TIMING: 1930200 CPU: 6031.44, 0.0031196/step Wall: 6031.44, 0.0031196/step, 2.66016 hours remaining, 234.308594 MB of memory in use. ENERGY: 1930200 4010.2647 20408.7650 14559.0503 239.8942 -203023.7752 2326.6782 0.0000 0.0000 51780.9795 -109698.1432 297.5860 -161479.1227 -109336.8605 297.6940 -355.9928 -332.1000 761803.9187 -1.0338 -0.8879 PRESSURE: 1930400 128.583 -78.805 -171.465 -78.8039 -90.7663 185.792 -171.464 185.792 -316.728 GPRESSURE: 1930400 94.4409 -11.6787 -95.5329 -57.3561 -57.4016 165.27 -143.393 222.815 -242.864 PRESSAVG: 1930400 4.47204 9.09243 -12.3178 9.09235 26.8135 -8.19161 -12.3178 -8.19157 -5.09744 GPRESSAVG: 1930400 1.89218 8.63904 -10.455 11.6372 28.0128 -9.53071 -13.6208 -7.35236 -3.9786 TIMING: 1930400 CPU: 6032.06, 0.00310129/step Wall: 6032.06, 0.00310129/step, 2.64436 hours remaining, 234.308594 MB of memory in use. ENERGY: 1930400 3978.3923 20418.7018 14559.7252 239.5293 -203312.5901 2778.3455 0.0000 0.0000 51620.4688 -109717.4272 296.6635 -161337.8960 -109353.9352 297.8180 -92.9705 -68.6082 762749.8735 8.7294 8.6421 PRESSURE: 1930600 -147.847 -144.25 144.285 -144.25 205.123 -45.8682 144.285 -45.8681 207.882 GPRESSURE: 1930600 -23.1581 -100.053 181.999 -199.106 244.744 -14.468 124.191 16.8812 131.885 PRESSAVG: 1930600 34.4453 -10.086 -32.9851 -10.086 -54.3921 -12.009 -32.9851 -12.0089 2.65823 GPRESSAVG: 1930600 35.3209 -7.29089 -34.181 -10.7611 -54.5841 -11.9566 -34.1425 -11.8808 1.80782 TIMING: 1930600 CPU: 6032.68, 0.00310986/step Wall: 6032.68, 0.00310986/step, 2.6515 hours remaining, 234.308594 MB of memory in use. ENERGY: 1930600 3887.0840 20518.5058 14497.5394 264.1538 -203256.3866 2845.9958 0.0000 0.0000 51570.7921 -109672.3156 296.3781 -161243.1077 -109311.4768 298.0551 88.3858 117.8237 762786.3855 -5.7628 -5.8185 PRESSURE: 1930800 -76.6031 -276.276 -152.577 -276.275 -29.0962 245.157 -152.577 245.157 105.823 GPRESSURE: 1930800 -71.0131 -214.41 -98.6268 -302.87 60.2048 240.688 -187.221 121.906 116.497 PRESSAVG: 1930800 24.2123 -3.24368 -20.929 -3.24373 8.69552 42.7562 -20.929 42.7561 0.932124 GPRESSAVG: 1930800 24.1698 -5.3204 -19.6789 -3.28025 8.49953 44.5509 -20.7821 40.9459 1.78474 TIMING: 1930800 CPU: 6033.3, 0.00309954/step Wall: 6033.3, 0.00309954/step, 2.64253 hours remaining, 234.308594 MB of memory in use. ENERGY: 1930800 3905.5738 20434.3431 14516.8803 254.6330 -203586.7754 2910.8026 0.0000 0.0000 51938.5389 -109626.0038 298.4915 -161564.5427 -109267.3180 298.0315 0.0413 35.2295 761941.1891 11.2800 11.4847 PRESSURE: 1931000 258.639 -115.945 -12.2677 -115.945 0.645976 -135.895 -12.2679 -135.896 88.3897 GPRESSURE: 1931000 243.517 -91.2719 -29.1611 -38.0746 6.68187 -45.9545 33.9018 -44.7152 175.682 PRESSAVG: 1931000 -38.1122 29.6984 27.5947 29.6984 37.1729 58.7345 27.5946 58.7345 0.465623 GPRESSAVG: 1931000 -37.3256 29.9918 26.4325 30.5499 37.2569 56.392 28.2414 59.9288 -0.756232 TIMING: 1931000 CPU: 6033.92, 0.00308873/step Wall: 6033.92, 0.00308873/step, 2.63314 hours remaining, 234.308594 MB of memory in use. ENERGY: 1931000 4022.5426 20219.9876 14569.3852 248.1104 -203453.4414 2999.3827 0.0000 0.0000 51910.4267 -109483.6064 298.3299 -161394.0331 -109119.5025 298.2861 115.8915 141.9603 761448.3685 -0.1579 -0.2750 PRESSURE: 1931200 -74.4316 -203.257 145.81 -203.257 63.5583 59.3556 145.81 59.3559 -561.878 GPRESSURE: 1931200 -54.409 -128.59 176.213 -186.968 82.1731 41.5095 86.2931 151.387 -532.927 PRESSAVG: 1931200 -17.4501 -2.12014 -31.9091 -2.12018 -13.037 7.38749 -31.9091 7.3875 6.51471 GPRESSAVG: 1931200 -18.4582 -2.70296 -30.6968 -2.43439 -12.6399 7.85724 -33.2284 5.81785 7.00578 TIMING: 1931200 CPU: 6034.54, 0.0031119/step Wall: 6034.54, 0.00311189/step, 2.65272 hours remaining, 234.308594 MB of memory in use. ENERGY: 1931200 3947.7277 20551.2240 14568.7563 240.7534 -203590.8824 2805.8985 0.0000 0.0000 51942.9673 -109533.5553 298.5169 -161476.5226 -109179.9594 298.1277 -190.9172 -168.3875 762492.6650 -7.9908 -8.0308 PRESSURE: 1931400 124.991 19.0047 -168.584 19.0051 92.4087 53.3378 -168.585 53.3388 249.169 GPRESSURE: 1931400 245.132 50.5014 -218.89 -9.85567 106.441 30.5238 -88.5029 19.6312 196.552 PRESSAVG: 1931400 22.4243 -83.2594 20.1667 -83.2594 -41.8824 11.543 20.1667 11.5429 -16.0706 GPRESSAVG: 1931400 21.5894 -82.33 17.7187 -83.9123 -41.5588 12.0674 21.5383 12.863 -15.9426 TIMING: 1931400 CPU: 6035.16, 0.00310173/step Wall: 6035.16, 0.00310173/step, 2.64388 hours remaining, 234.308594 MB of memory in use. ENERGY: 1931400 3947.5405 20406.8456 14514.3944 265.2449 -203249.6470 2768.8003 0.0000 0.0000 52012.5936 -109334.2277 298.9171 -161346.8212 -108972.1070 298.4611 155.5231 182.7081 764071.8607 -11.8429 -11.9707 PRESSURE: 1931600 -187.765 -53.2833 -258.14 -53.2836 -137.702 314.371 -258.141 314.372 -208.292 GPRESSURE: 1931600 -214.19 -59.887 -143.068 -110.776 -29.611 267.878 -178.735 98.5482 -226.597 PRESSAVG: 1931600 78.5197 -14.6648 -25.6789 -14.6648 -40.2557 -30.699 -25.6789 -30.6991 5.00701 GPRESSAVG: 1931600 79.257 -16.0808 -24.5675 -14.1334 -40.9346 -32.2723 -24.2604 -30.2701 5.17118 TIMING: 1931600 CPU: 6035.78, 0.00310984/step Wall: 6035.78, 0.00310984/step, 2.65062 hours remaining, 234.308594 MB of memory in use. ENERGY: 1931600 4051.9664 20427.0978 14550.4903 246.3225 -203056.4417 2595.7767 0.0000 0.0000 51978.8431 -109205.9448 298.7231 -161184.7879 -108854.4260 299.3254 -177.9196 -156.7993 763610.7250 14.4237 14.4978 PRESSURE: 1931800 -80.1202 -99.676 40.0799 -99.6757 -146.891 96.8511 40.0807 96.8509 -55.1771 GPRESSURE: 1931800 -56.1039 -15.5304 79.8501 -185.604 -86.3611 205.909 128.273 37.7318 -60.281 PRESSAVG: 1931800 11.6462 -20.1466 -40.6462 -20.1467 -35.6938 4.39679 -40.6462 4.39681 -12.5285 GPRESSAVG: 1931800 11.4853 -17.0351 -39.5779 -20.6991 -36.9963 5.16399 -43.0693 4.3811 -11.9478 TIMING: 1931800 CPU: 6036.4, 0.00311284/step Wall: 6036.4, 0.00311284/step, 2.653 hours remaining, 234.308594 MB of memory in use. ENERGY: 1931800 3997.6076 20411.7810 14435.7322 258.4641 -202993.6314 2687.4713 0.0000 0.0000 52093.6304 -109108.9449 299.3828 -161202.5752 -108743.5223 299.4528 -94.0627 -67.5820 761978.7340 -12.1920 -12.4863 PRESSURE: 1932000 -186.69 15.214 7.01356 15.2138 -158.098 70.6758 7.01316 70.6752 -263.153 GPRESSURE: 1932000 -211.508 27.5532 90.0095 123.754 1.45867 7.81143 -112.196 67.5393 -308.993 PRESSAVG: 1932000 42.1141 2.39672 -29.1015 2.39675 -4.55954 20.4784 -29.1015 20.4785 -7.45841 GPRESSAVG: 1932000 43.5915 3.57382 -29.363 2.35494 -3.16708 19.8566 -27.3887 20.312 -8.96721 TIMING: 1932000 CPU: 6037.03, 0.00311806/step Wall: 6037.03, 0.00311806/step, 2.65728 hours remaining, 234.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1932000 4055.8900 20436.2122 14492.2120 261.2014 -202923.9809 2639.1588 0.0000 0.0000 51858.9226 -109180.3839 298.0339 -161039.3065 -108823.4032 299.2354 -202.6469 -173.0143 762575.4184 10.0320 10.4857 PRESSURE: 1932200 -242.827 -3.62951 23.1168 -3.62898 -102.911 154.706 23.1169 154.705 -404.412 GPRESSURE: 1932200 -240.409 -8.60128 90.8589 104.912 -116.648 120.679 84.4903 167.083 -300.365 PRESSAVG: 1932200 -39.3317 -19.8899 10.8952 -19.8899 55.3013 27.3607 10.8952 27.3607 -19.0823 GPRESSAVG: 1932200 -41.624 -20.5856 11.9327 -19.5044 55.8125 28.5343 7.67756 27.4261 -17.9145 TIMING: 1932200 CPU: 6037.65, 0.00311858/step Wall: 6037.65, 0.00311858/step, 2.65755 hours remaining, 234.308594 MB of memory in use. ENERGY: 1932200 4030.6672 20427.2672 14629.9143 262.0060 -202844.1379 2602.5673 0.0000 0.0000 51700.4733 -109191.2426 297.1233 -160891.7159 -108836.9394 299.3260 -250.0499 -219.1406 762892.8626 -1.0376 -1.2420 LDB: ============= START OF LOAD BALANCING ============== 6050.13 LDB: ============== END OF LOAD BALANCING =============== 6050.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6050.13 LDB: ============= START OF LOAD BALANCING ============== 6050.44 LDB: Largest compute 6984 load 0.029760 is 15.3% of average load 0.195065 LDB: Average compute 0.004406 is 2.3% of average load 0.195065 LDB: TIME 6050.44 LOAD: AVG 0.195065 MAX 0.21685 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.84 MB LDB: TIME 6050.45 LOAD: AVG 0.195065 MAX 0.21685 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.043 MB LDB: TIME 6050.45 LOAD: AVG 0.195065 MAX 0.21685 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.043 MB LDB: ============== END OF LOAD BALANCING =============== 6050.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6050.45 PRESSURE: 1932400 228.801 143.432 167.923 143.433 -86.4584 -136.099 167.922 -136.099 -169.128 GPRESSURE: 1932400 283.647 79.5817 157.738 200.206 -73.448 -52.6306 214.141 -133.859 -154.481 PRESSAVG: 1932400 79.1768 -8.55736 -12.1651 -8.55737 -6.86415 58.4979 -12.165 58.4978 -8.12906 GPRESSAVG: 1932400 80.2173 -8.84223 -13.5951 -8.76934 -7.09533 58.8786 -7.78553 59.4682 -9.42767 TIMING: 1932400 CPU: 6038.29, 0.00317796/step Wall: 6038.29, 0.00317796/step, 2.70797 hours remaining, 235.007812 MB of memory in use. ENERGY: 1932400 4003.3126 20565.4045 14491.7109 247.7563 -202973.5011 2522.6101 0.0000 0.0000 52220.9793 -108921.7274 300.1147 -161142.7067 -108563.7560 299.1971 -8.9283 18.5729 761400.4032 21.3945 21.2314 PRESSURE: 1932600 168.783 211.816 -61.787 211.816 60.9586 153.698 -61.7874 153.698 -95.0925 GPRESSURE: 1932600 137.493 244.721 -37.7558 161.488 121.662 142.158 -10.0926 197.117 -55.5421 PRESSAVG: 1932600 -28.6368 26.5447 73.9514 26.5446 14.8551 6.25083 73.9514 6.25083 11.8619 GPRESSAVG: 1932600 -28.8408 26.9835 75.4518 24.7702 14.7925 5.65887 72.5459 5.21704 12.1314 TIMING: 1932600 CPU: 6038.91, 0.00310681/step Wall: 6038.91, 0.00310681/step, 2.64717 hours remaining, 235.007812 MB of memory in use. ENERGY: 1932600 3991.0265 20452.3881 14482.5586 239.8542 -203433.2796 2853.2038 0.0000 0.0000 52340.4165 -109073.8319 300.8011 -161414.2485 -108701.2776 299.6928 44.8832 67.8709 763584.8311 -0.6399 -0.6390 PRESSURE: 1932800 -410.178 -174.09 56.8378 -174.089 -174.034 67.7463 56.8379 67.7464 -54.3894 GPRESSURE: 1932800 -287.071 -135.415 117.176 -178.833 -193.523 29.9235 -10.7882 111.505 -49.026 PRESSAVG: 1932800 56.933 -0.485881 36.9988 -0.485839 -24.0984 -14.793 36.9988 -14.793 -18.3011 GPRESSAVG: 1932800 55.686 0.332691 37.4301 -0.899286 -23.4028 -15.4295 35.687 -14.4429 -18.0752 TIMING: 1932800 CPU: 6039.53, 0.00311618/step Wall: 6039.53, 0.00311618/step, 2.65498 hours remaining, 235.007812 MB of memory in use. ENERGY: 1932800 3954.7737 20517.4872 14553.0182 239.4114 -203371.6488 2780.7840 0.0000 0.0000 52146.7132 -109179.4611 299.6879 -161326.1743 -108817.2294 299.6544 -212.8671 -176.5400 762731.7852 4.8445 4.7360 PRESSURE: 1933000 -71.9295 108.341 65.5682 108.341 77.8288 -60.0899 65.5673 -60.0901 -144.285 GPRESSURE: 1933000 10.4298 38 152.963 26.5909 58.9245 -77.9974 97.1945 22.4602 -126.302 PRESSAVG: 1933000 17.7727 22.8025 39.7844 22.8024 -16.4353 27.2906 39.7844 27.2907 11.3154 GPRESSAVG: 1933000 19.5158 20.5721 38.5592 24.4419 -17.9165 28.3882 40.4946 26.5146 10.3164 TIMING: 1933000 CPU: 6040.15, 0.00310734/step Wall: 6040.15, 0.00310734/step, 2.64728 hours remaining, 235.007812 MB of memory in use. ENERGY: 1933000 3991.5421 20415.4305 14596.9413 260.3690 -203418.3211 2852.4530 0.0000 0.0000 52128.0561 -109173.5290 299.5807 -161301.5852 -108812.4165 299.4369 -46.1286 -18.9826 762044.6669 4.2176 3.9719 PRESSURE: 1933200 -48.4164 -165.743 -42.2637 -165.742 -226.766 -130.709 -42.2642 -130.708 -545.992 GPRESSURE: 1933200 -20.6005 -71.1152 -23.8181 -145.188 -211.071 -13.1115 -91.8553 -34.8035 -503.704 PRESSAVG: 1933200 0.487607 -17.3595 -38.6525 -17.3595 -17.991 -13.8258 -38.6525 -13.8257 -29.2603 GPRESSAVG: 1933200 -0.665581 -17.3118 -39.8109 -17.5358 -16.3796 -13.2993 -38.7729 -14.0221 -29.835 TIMING: 1933200 CPU: 6040.77, 0.00310927/step Wall: 6040.77, 0.00310927/step, 2.64875 hours remaining, 235.007812 MB of memory in use. ENERGY: 1933200 4001.3794 20496.4658 14547.9794 246.2207 -203087.4590 2485.1283 0.0000 0.0000 52226.7286 -109083.5567 300.1477 -161310.2853 -108726.9464 299.2827 -273.7248 -245.1251 762939.3404 -15.5879 -15.6267 PRESSURE: 1933400 307.559 107.883 90.3834 107.883 -78.6056 230.861 90.3833 230.861 -119.993 GPRESSURE: 1933400 263.069 26.336 89.4511 105.706 -42.2287 241.949 25.4852 99.2518 -44.8961 PRESSAVG: 1933400 19.1703 -47.2035 48.0056 -47.2035 32.027 22.1851 48.0056 22.185 3.56518 GPRESSAVG: 1933400 17.8182 -48.2022 47.5134 -47.5237 31.7977 23.3407 47.9605 22.5715 5.34126 TIMING: 1933400 CPU: 6041.4, 0.0031078/step Wall: 6041.4, 0.0031078/step, 2.64733 hours remaining, 235.007812 MB of memory in use. ENERGY: 1933400 3975.1620 20503.3646 14614.3879 241.6591 -202945.6325 2614.2221 0.0000 0.0000 52010.2186 -108986.6182 298.9034 -160996.8368 -108620.5420 299.6971 36.3200 58.6482 764027.0805 18.2542 18.3190 PRESSURE: 1933600 -30.9519 -119.529 -62.7522 -119.529 -67.0107 -108.684 -62.7528 -108.685 91.3792 GPRESSURE: 1933600 99.915 -175.024 -13.004 -62.1784 -22.3683 -78.5294 -51.8981 -97.3681 -1.38425 PRESSAVG: 1933600 -6.09174 -62.6401 -2.44928 -62.6401 -17.0765 24.9382 -2.44927 24.9382 9.82103 GPRESSAVG: 1933600 -4.38552 -60.5157 -1.17298 -63.8721 -16.7348 23.8081 -0.383994 24.9567 7.94676 TIMING: 1933600 CPU: 6042.02, 0.00313598/step Wall: 6042.02, 0.00313598/step, 2.67116 hours remaining, 235.007812 MB of memory in use. ENERGY: 1933600 4000.3587 20405.5745 14547.2977 261.3887 -203169.2745 2768.9184 0.0000 0.0000 51896.8502 -109288.8863 298.2519 -161185.7365 -108916.2324 299.0281 -2.1945 25.3875 764265.2499 -4.4491 -4.3912 PRESSURE: 1933800 -9.99676 5.14578 164.139 5.14461 -210.843 173.834 164.14 173.834 -190.549 GPRESSURE: 1933800 -20.4472 106.764 284.134 -119.563 -292.603 243.615 161.603 141.274 -19.7692 PRESSAVG: 1933800 24.3662 -35.4142 -11.0142 -35.4143 -12.9825 5.03491 -11.0142 5.03498 -15.2456 GPRESSAVG: 1933800 25.0286 -36.5895 -10.5749 -32.398 -15.8022 2.97312 -14.9997 6.13571 -13.8572 TIMING: 1933800 CPU: 6042.65, 0.00312446/step Wall: 6042.65, 0.00312446/step, 2.66117 hours remaining, 235.007812 MB of memory in use. ENERGY: 1933800 3973.1740 20592.7176 14539.2383 270.7288 -203277.3332 2941.2516 0.0000 0.0000 51925.5399 -109034.6831 298.4168 -160960.2230 -108673.0763 299.2050 -137.1298 -110.9397 764326.4882 -1.2873 -1.5436 PRESSURE: 1934000 -218.532 211.958 56.5307 211.959 164.171 -111.927 56.5305 -111.926 28.2008 GPRESSURE: 1934000 -185.661 150.493 98.4332 150.714 298.867 -171.905 28.6379 -98.1518 -43.6498 PRESSAVG: 1934000 -32.9928 7.46127 5.35797 7.46119 23.9401 43.5795 5.35802 43.5795 15.4731 GPRESSAVG: 1934000 -33.0515 7.78946 4.08859 5.8809 25.1438 45.0636 9.50969 45.1376 14.8802 TIMING: 1934000 CPU: 6043.27, 0.00311207/step Wall: 6043.27, 0.00311207/step, 2.65045 hours remaining, 235.007812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1934000 3970.4356 20562.9429 14537.0209 255.5361 -203329.0090 2911.9369 0.0000 0.0000 51955.2528 -109135.8837 298.5876 -161091.1365 -108780.6462 299.2627 -8.7202 23.1854 763448.1128 2.1402 2.3242 PRESSURE: 1934200 -622.142 100.83 85.6525 100.83 -108.45 -215.812 85.6532 -215.812 82.0366 GPRESSURE: 1934200 -519.696 132.426 5.84763 123.691 -125.228 -179.589 30.5562 -197.393 43.4277 PRESSAVG: 1934200 -39.0233 1.56934 35.584 1.56936 -7.52298 -24.9889 35.584 -24.9888 8.56213 GPRESSAVG: 1934200 -40.9451 2.35196 37.7905 1.62925 -6.22531 -25.2641 32.5132 -27.7922 9.27672 TIMING: 1934200 CPU: 6043.89, 0.00312004/step Wall: 6043.89, 0.00312004/step, 2.65706 hours remaining, 235.007812 MB of memory in use. ENERGY: 1934200 3987.7734 20582.5304 14527.3944 252.7600 -202897.0209 2372.4523 0.0000 0.0000 52089.5904 -109084.5201 299.3596 -161174.1105 -108721.2063 298.9847 -216.1851 -200.4989 763034.9391 -12.6614 -12.6312 PRESSURE: 1934400 214.699 123.731 94.2469 123.731 -250.427 -54.0686 94.2457 -54.0691 234.422 GPRESSURE: 1934400 279.737 111.377 27.8004 -11.8652 -186.001 -69.4489 158.21 3.88909 167.856 PRESSAVG: 1934400 27.5363 18.1752 44.7897 18.1753 -10.4761 20.9959 44.7898 20.9958 -14.8444 GPRESSAVG: 1934400 30.1861 14.4795 42.9065 20.614 -13.0902 19.7881 46.1097 22.3133 -15.2221 TIMING: 1934400 CPU: 6044.52, 0.00311154/step Wall: 6044.52, 0.00311154/step, 2.64965 hours remaining, 235.007812 MB of memory in use. ENERGY: 1934400 3957.3726 20507.2162 14503.5624 237.4284 -203014.2343 2592.0929 0.0000 0.0000 52080.8736 -109135.6882 299.3095 -161216.5618 -108762.3606 299.3728 66.2315 87.1974 762623.1105 0.7386 0.6246 PRESSURE: 1934600 -35.7958 -106.311 255.711 -106.311 -175.21 57.4766 255.711 57.4786 -359.462 GPRESSURE: 1934600 -49.4689 -212.021 243.757 -118.316 -12 -60.0774 176.243 37.1499 -406.834 PRESSAVG: 1934600 -63.9967 1.39855 46.1314 1.39856 103.954 1.30652 46.1315 1.3066 5.22542 GPRESSAVG: 1934600 -64.4795 3.05807 46.0002 -1.77757 104.896 1.49493 46.5195 1.62848 5.71076 TIMING: 1934600 CPU: 6045.14, 0.00310973/step Wall: 6045.14, 0.00310973/step, 2.64794 hours remaining, 235.007812 MB of memory in use. ENERGY: 1934600 4008.9368 20452.6207 14589.9894 233.0111 -203154.5598 2575.7266 0.0000 0.0000 52183.4008 -109110.8743 299.8987 -161294.2752 -108747.2683 299.1823 -190.1556 -156.1009 762423.1310 15.0611 15.3758 PRESSURE: 1934800 -369.726 -97.3016 257.111 -97.3016 -263.614 -64.3312 257.111 -64.3317 -128.322 GPRESSURE: 1934800 -361.06 -65.5869 138.508 -124.354 -213.886 -57.5188 243.425 -31.4205 -103.642 PRESSAVG: 1934800 11.4476 -23.0616 37.7317 -23.0616 0.0166866 2.87947 37.7317 2.87949 -24.3724 GPRESSAVG: 1934800 9.2534 -22.0736 35.7402 -23.9324 1.08934 2.31464 37.2962 2.25129 -23.6115 TIMING: 1934800 CPU: 6045.76, 0.00310917/step Wall: 6045.76, 0.00310917/step, 2.64729 hours remaining, 235.007812 MB of memory in use. ENERGY: 1934800 3990.4045 20605.0455 14512.4438 252.0358 -203071.4946 2746.4937 0.0000 0.0000 51947.2712 -109017.8002 298.5417 -160965.0714 -108668.2570 299.0301 -253.8874 -226.1962 764342.9074 -4.3027 -4.4229 PRESSURE: 1935000 -341.643 54.9968 -22.1337 54.9962 313.802 -121.204 -22.1332 -121.205 187.114 GPRESSURE: 1935000 -254.534 52.729 -38.9311 13.8677 355.78 -97.6026 64.9507 -151.095 154.201 PRESSAVG: 1935000 -88.172 -2.86528 38.0133 -2.86531 31.4797 0.421372 38.0134 0.421378 9.16547 GPRESSAVG: 1935000 -86.6254 -3.47703 38.9764 -1.42439 30.2358 1.86121 39.7178 -0.710669 8.67865 TIMING: 1935000 CPU: 6046.38, 0.00310396/step Wall: 6046.38, 0.00310396/step, 2.64268 hours remaining, 235.007812 MB of memory in use. ENERGY: 1935000 3957.2458 20624.9518 14553.9136 276.2130 -202531.9358 2434.9673 0.0000 0.0000 51994.8837 -108689.7605 298.8153 -160684.6442 -108329.7321 299.5952 53.0911 85.1491 764198.2536 -15.8423 -15.9037 PRESSURE: 1935200 15.2708 97.4767 124.848 97.4778 119.089 -163.296 124.848 -163.296 -141.522 GPRESSURE: 1935200 81.226 -2.82977 87.077 148.82 76.7186 -186.958 75.7523 -161.681 -110.228 PRESSAVG: 1935200 -9.49623 3.4361 19.1053 3.43612 41.7969 1.56029 19.1053 1.56032 7.31926 GPRESSAVG: 1935200 -8.71781 4.97055 18.3421 3.52056 41.9325 1.94272 17.251 1.83631 6.24054 TIMING: 1935200 CPU: 6047, 0.00308805/step Wall: 6047, 0.00308805/step, 2.62896 hours remaining, 235.007812 MB of memory in use. ENERGY: 1935200 3961.2112 20645.3080 14585.4575 232.5868 -203203.4800 2694.7993 0.0000 0.0000 52178.6455 -108905.4718 299.8714 -161084.1173 -108542.0019 299.8597 -2.3872 15.9057 763777.0320 13.2066 13.1517 PRESSURE: 1935400 -100.401 -158.331 110.867 -158.332 24.5081 -25.4486 110.867 -25.4487 183.944 GPRESSURE: 1935400 -155.71 -107.259 69.8501 -123.834 159.829 35.4419 66.4728 -149.004 194.214 PRESSAVG: 1935400 -35.7313 -29.2334 13.4219 -29.2335 29.5734 -36.2142 13.4219 -36.2143 -18.8947 GPRESSAVG: 1935400 -36.1938 -28.8189 13.5044 -32.8816 29.4773 -37.3661 10.9884 -34.8179 -18.7218 TIMING: 1935400 CPU: 6047.62, 0.00309229/step Wall: 6047.62, 0.00309229/step, 2.6324 hours remaining, 235.007812 MB of memory in use. ENERGY: 1935400 4008.4418 20549.1799 14474.3073 253.0887 -203130.5618 2746.1865 0.0000 0.0000 52137.3706 -108961.9870 299.6342 -161099.3576 -108594.0694 299.6222 36.0170 66.1109 764140.6167 -8.3509 -8.4795 PRESSURE: 1935600 -213.439 -121.003 -199.586 -121.003 100.665 131.437 -199.586 131.439 150.605 GPRESSURE: 1935600 -200.29 -153.226 -124.335 -246.66 128.876 128.165 -149.832 97.6921 176.994 PRESSAVG: 1935600 -65.7572 -30.4402 72.5563 -30.4401 53.4522 20.6156 72.5562 20.6157 7.19262 GPRESSAVG: 1935600 -65.1442 -31.2929 74.1195 -28.5789 53.1651 21.4522 73.917 19.0513 6.63701 TIMING: 1935600 CPU: 6048.24, 0.00309872/step Wall: 6048.24, 0.00309872/step, 2.6377 hours remaining, 235.007812 MB of memory in use. ENERGY: 1935600 3975.2067 20612.8699 14522.1512 241.0030 -203129.1453 2630.3127 0.0000 0.0000 52144.2996 -109003.3023 299.6740 -161147.6019 -108639.9219 299.9369 12.6103 35.1934 761837.6384 -1.7041 -1.7807 PRESSURE: 1935800 -26.4657 181.021 85.5781 181.022 -50.8836 54.3327 85.5786 54.3326 129.54 GPRESSURE: 1935800 -53.0895 185.877 187.119 127.867 -1.94522 -54.7445 -16.0617 28.8738 184.693 PRESSAVG: 1935800 9.14834 23.4856 -6.31061 23.4855 22.456 30.1844 -6.31061 30.1844 11.2264 GPRESSAVG: 1935800 8.33385 23.7766 -5.81045 24.087 23.4084 28.0326 -6.54146 32.2883 10.9059 TIMING: 1935800 CPU: 6048.86, 0.00310039/step Wall: 6048.86, 0.00310039/step, 2.63895 hours remaining, 235.007812 MB of memory in use. ENERGY: 1935800 4015.3503 20632.2000 14509.8137 243.9073 -203281.1723 2607.9404 0.0000 0.0000 52252.1669 -109019.7937 300.2939 -161271.9606 -108650.9875 299.3686 17.3969 43.2196 764272.9484 14.2769 14.2161 PRESSURE: 1936000 -162.54 -11.6806 -195.505 -11.6804 -124.345 281.547 -195.504 281.547 171.713 GPRESSURE: 1936000 -52.9278 -46.5083 -199.222 -46.6588 -71.1032 225.038 -177.24 77.1059 72.473 PRESSAVG: 1936000 -79.3462 28.5482 9.87564 28.5482 50.064 -2.90707 9.87566 -2.9071 32.4463 GPRESSAVG: 1936000 -78.9802 25.7765 8.24595 28.1248 48.9842 -2.09325 11.1196 -4.15679 33.6472 TIMING: 1936000 CPU: 6049.48, 0.00310271/step Wall: 6049.48, 0.00310271/step, 2.64075 hours remaining, 235.007812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1936000 3991.1906 20524.6180 14540.3378 253.4412 -203027.0569 2764.1623 0.0000 0.0000 52039.2000 -108914.1070 299.0700 -160953.3070 -108547.0572 299.7012 -38.3907 -17.1860 762796.9258 1.0547 1.2171 PRESSURE: 1936200 -342.412 -44.0284 149.823 -44.0279 -198.585 3.03218 149.822 3.03238 47.2987 GPRESSURE: 1936200 -260.485 20.6388 71.906 -53.7549 -169.808 16.9985 73.0728 75.4514 1.75556 PRESSAVG: 1936200 6.51817 -10.5796 24.3305 -10.5796 0.897548 31.4301 24.3305 31.4301 2.46387 GPRESSAVG: 1936200 5.88755 -5.4918 23.126 -11.4836 2.47591 31.895 24.3756 33.0314 1.13699 TIMING: 1936200 CPU: 6050.1, 0.00309824/step Wall: 6050.1, 0.00309824/step, 2.63677 hours remaining, 235.007812 MB of memory in use. ENERGY: 1936200 3990.9103 20409.1051 14502.9988 240.3775 -202759.7880 2436.9212 0.0000 0.0000 52188.1828 -108991.2923 299.9262 -161179.4751 -108631.2810 299.8811 -164.5663 -142.8458 765417.8665 3.2932 3.1668 LDB: ============= START OF LOAD BALANCING ============== 6062.58 LDB: ============== END OF LOAD BALANCING =============== 6062.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6062.58 LDB: ============= START OF LOAD BALANCING ============== 6062.89 LDB: Largest compute 6998 load 0.032152 is 16.5% of average load 0.195032 LDB: Average compute 0.004406 is 2.3% of average load 0.195032 LDB: TIME 6062.89 LOAD: AVG 0.195032 MAX 0.21781 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.578 MB LDB: TIME 6062.89 LOAD: AVG 0.195032 MAX 0.21781 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.672 MB LDB: TIME 6062.89 LOAD: AVG 0.195032 MAX 0.216553 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.672 MB LDB: ============== END OF LOAD BALANCING =============== 6062.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6062.9 PRESSURE: 1936400 -225.306 -183.747 214.745 -183.747 -189.144 -27.1324 214.745 -27.1324 130.794 GPRESSURE: 1936400 -267.573 -170.555 240.673 -185.079 -112.801 -54.7576 95.8911 66.4368 180.225 PRESSAVG: 1936400 -11.5464 17.0294 -25.4094 17.0295 3.57432 9.68266 -25.4095 9.68263 9.99423 GPRESSAVG: 1936400 -10.3996 13.9524 -24.4537 20.0243 1.20267 10.572 -24.7598 10.9689 11.0663 TIMING: 1936400 CPU: 6050.74, 0.00319249/step Wall: 6050.74, 0.00319249/step, 2.71681 hours remaining, 234.171875 MB of memory in use. ENERGY: 1936400 3955.8419 20504.3132 14485.2322 252.1892 -202842.7516 2600.7835 0.0000 0.0000 52073.6996 -108970.6919 299.2683 -161044.3915 -108603.5497 299.5429 -94.5518 -66.7164 763674.2083 0.6741 0.6231 PRESSURE: 1936600 -147.083 -168.96 28.4548 -168.96 -111.906 0.791703 28.4549 0.792625 -301.58 GPRESSURE: 1936600 -185.021 -189.077 87.458 -155.565 -26.6808 -89.8997 -47.1751 7.54184 -276.266 PRESSAVG: 1936600 39.1223 4.58433 -77.2505 4.58427 -9.77064 17.317 -77.2504 17.317 -18.0197 GPRESSAVG: 1936600 38.3187 5.71206 -76.1938 2.28501 -8.55108 17.0625 -79.3145 13.9402 -18.6629 TIMING: 1936600 CPU: 6051.36, 0.00310219/step Wall: 6051.36, 0.00310219/step, 2.63979 hours remaining, 234.375000 MB of memory in use. ENERGY: 1936600 4046.2347 20588.9447 14531.0218 256.4909 -203173.9321 2734.0690 0.0000 0.0000 51847.4082 -109169.7627 297.9678 -161017.1709 -108819.2033 299.3012 -186.8561 -162.6560 764065.0091 3.7773 3.7016 PRESSURE: 1936800 -44.4276 238.918 -33.9851 238.917 -146.778 58.2603 -33.9856 58.2607 22.6129 GPRESSURE: 1936800 16.3291 237.176 -65.4972 199.428 -104.978 40.3083 9.88105 121.847 -13.7001 PRESSAVG: 1936800 -3.44613 1.25693 -35.008 1.25701 -30.1364 38.5047 -35.0081 38.5048 2.50579 GPRESSAVG: 1936800 -4.0402 -1.86955 -34.2799 2.78585 -31.2427 37.9586 -33.6706 40.3969 4.44666 TIMING: 1936800 CPU: 6051.97, 0.00308699/step Wall: 6051.97, 0.00308699/step, 2.62669 hours remaining, 234.375000 MB of memory in use. ENERGY: 1936800 3989.6529 20660.5935 14451.1123 243.0697 -203469.7968 2837.8527 0.0000 0.0000 52301.7238 -108985.7919 300.5787 -161287.5157 -108621.7842 299.5245 -56.1975 -34.1164 762671.6430 -10.3589 -10.2788 PRESSURE: 1937000 245.801 -53.1109 186.697 -53.1105 85.7194 -235.56 186.697 -235.56 149.144 GPRESSURE: 1937000 317.289 -0.0934089 217.745 -71.9756 33.7074 -293.984 106.822 -188.534 192.624 PRESSAVG: 1937000 -6.1287 17.4375 -20.5878 17.4375 24.0319 19.2876 -20.5878 19.2876 -2.55775 GPRESSAVG: 1937000 -4.75142 18.9926 -20.5039 17.7267 23.9853 20.745 -21.6458 17.9778 -3.90623 TIMING: 1937000 CPU: 6052.59, 0.00309621/step Wall: 6052.59, 0.00309621/step, 2.63436 hours remaining, 234.375000 MB of memory in use. ENERGY: 1937000 3889.5214 20435.3071 14573.1645 252.4949 -202941.5077 2684.1636 0.0000 0.0000 52206.4486 -108900.4075 300.0312 -161106.8561 -108531.4421 299.7589 160.2216 181.2070 763145.8129 5.1151 5.1092 PRESSURE: 1937200 85.3647 137.401 -123.316 137.402 154.9 96.3332 -123.316 96.3325 -91.7318 GPRESSURE: 1937200 215.068 182.331 -110.207 160.813 174.671 74.2113 -132.825 149.744 -148.048 PRESSAVG: 1937200 34.9987 -21.0374 5.93212 -21.0374 -0.471179 57.3027 5.93215 57.3027 -12.6394 GPRESSAVG: 1937200 34.2469 -19.5444 2.82554 -24.1546 0.198393 56.0523 6.81561 57.0308 -12.9019 TIMING: 1937200 CPU: 6053.21, 0.00310206/step Wall: 6053.21, 0.00310206/step, 2.63916 hours remaining, 234.375000 MB of memory in use. ENERGY: 1937200 4012.5312 20371.5432 14464.7175 249.6838 -203271.2017 2937.6937 0.0000 0.0000 52285.9988 -108949.0335 300.4884 -161235.0322 -108588.4124 299.7931 49.5109 80.5636 763099.1306 7.2960 7.1811 PRESSURE: 1937400 -130.022 -40.0802 100.834 -40.0802 -82.922 7.86135 100.835 7.86174 80.6563 GPRESSURE: 1937400 -169.294 31.0614 67.7946 -104.204 27.6088 36.4435 28.8865 -44.4927 105.015 PRESSAVG: 1937400 47.5248 13.4718 15.0462 13.4718 -38.2911 63.5504 15.0463 63.5504 16.8337 GPRESSAVG: 1937400 48.6955 14.7236 17.4205 13.9242 -39.1012 64.85 13.3315 63.3503 16.3797 TIMING: 1937400 CPU: 6053.84, 0.00311428/step Wall: 6053.84, 0.00311428/step, 2.64939 hours remaining, 234.375000 MB of memory in use. ENERGY: 1937400 3904.0754 20503.7716 14493.2488 229.1179 -202755.5486 2424.2225 0.0000 0.0000 52027.3754 -109173.7369 299.0020 -161201.1122 -108808.1498 299.0055 -44.0959 -12.2233 762722.7833 8.6891 8.6580 PRESSURE: 1937600 -253.705 -33.5036 -3.38706 -33.504 -201.011 -10.2744 -3.3873 -10.2742 -22.2278 GPRESSURE: 1937600 -203.213 -46.2738 -49.3494 -114.558 -112.947 -38.0114 30.3612 -31.4386 -94.6828 PRESSAVG: 1937600 21.9421 -37.3325 23.4699 -37.3326 -1.47491 -0.463661 23.4699 -0.463596 -15.5892 GPRESSAVG: 1937600 21.1279 -40.4961 21.8967 -34.6065 -1.34634 -2.72008 25.1687 -0.324919 -14.6689 TIMING: 1937600 CPU: 6054.46, 0.00311405/step Wall: 6054.46, 0.00311405/step, 2.64902 hours remaining, 234.375000 MB of memory in use. ENERGY: 1937600 3971.8872 20364.6055 14591.4815 255.3217 -202928.1304 2410.1576 0.0000 0.0000 52271.0348 -109063.6420 300.4024 -161334.6768 -108695.4486 299.2114 -158.9814 -136.9476 763005.7361 1.6260 1.7042 PRESSURE: 1937800 111.983 110.268 128.678 110.267 -251.493 -48.7355 128.678 -48.7359 224.486 GPRESSURE: 1937800 130.763 140.716 119.876 131.4 -141.653 -97.7826 46.4791 -99.6206 172.327 PRESSAVG: 1937800 0.702608 -25.5825 5.80216 -25.5825 -34.3864 -1.17788 5.80221 -1.17798 12.0757 GPRESSAVG: 1937800 0.671692 -23.8244 7.58803 -26.0577 -34.2457 -0.798266 6.14552 -0.84731 11.4991 TIMING: 1937800 CPU: 6055.08, 0.0031044/step Wall: 6055.08, 0.0031044/step, 2.64064 hours remaining, 234.375000 MB of memory in use. ENERGY: 1937800 4006.2097 20349.5151 14510.4090 261.6220 -203111.5037 2688.5029 0.0000 0.0000 52196.8755 -109098.3696 299.9762 -161295.2451 -108726.9292 299.8644 28.3255 53.8124 761605.0078 -7.2027 -7.3583 PRESSURE: 1938000 43.3444 49.4504 194.402 49.4502 -29.7196 13.9858 194.403 13.9862 -287.911 GPRESSURE: 1938000 140.798 71.6208 98.8767 65.7406 -18.2559 -17.5268 106.157 74.7473 -311.35 PRESSAVG: 1938000 24.3963 -38.5683 -2.52779 -38.5683 -36.4532 27.4849 -2.5278 27.4849 42.2187 GPRESSAVG: 1938000 24.008 -37.3029 -4.90252 -38.8235 -35.9114 30.3288 -2.80337 26.4513 42.3785 TIMING: 1938000 CPU: 6055.7, 0.0031071/step Wall: 6055.7, 0.0031071/step, 2.64276 hours remaining, 234.375000 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: 1938000 3898.5837 20672.3700 14537.9471 235.6011 -203026.6208 2632.3800 0.0000 0.0000 51936.1743 -109113.5646 298.4779 -161049.7389 -108756.1727 299.4505 -91.4288 -62.9362 764385.0923 10.0539 10.1584 PRESSURE: 1938200 -76.7359 -25.6533 -16.7784 -25.6527 -226.681 -57.8972 -16.7777 -57.8983 -307.17 GPRESSURE: 1938200 9.732 -3.65414 -77.6886 33.7088 -206.905 -4.48173 94.4965 6.11737 -328.044 PRESSAVG: 1938200 7.86814 -44.4055 8.71411 -44.4055 27.6537 -0.272489 8.71417 -0.272419 -14.358 GPRESSAVG: 1938200 8.10113 -45.9461 8.31595 -43.8677 27.3784 -2.43731 9.00751 1.67361 -14.8553 TIMING: 1938200 CPU: 6056.32, 0.00310938/step Wall: 6056.32, 0.00310938/step, 2.64453 hours remaining, 234.375000 MB of memory in use. ENERGY: 1938200 3985.9446 20547.5642 14482.0544 254.6602 -203072.4520 2249.3290 0.0000 0.0000 52245.1739 -109307.7257 300.2537 -161552.8996 -108945.3391 299.4910 -203.5287 -175.0725 761555.8030 7.0546 6.8747 PRESSURE: 1938400 27.9555 -10.1186 -26.7708 -10.1181 489.185 2.63596 -26.7707 2.63675 -287.293 GPRESSURE: 1938400 -42.8261 59.8669 -54.9878 2.1697 505.088 18.3115 -74.2259 20.0043 -166.364 PRESSAVG: 1938400 18.1891 9.58497 16.7559 9.58494 11.7875 28.8258 16.7558 28.8257 -1.5355 GPRESSAVG: 1938400 17.2326 10.9862 16.9139 7.31864 11.2791 29.3938 17.9944 26.4149 0.097785 TIMING: 1938400 CPU: 6056.94, 0.00310037/step Wall: 6056.94, 0.00310037/step, 2.6367 hours remaining, 234.375000 MB of memory in use. ENERGY: 1938400 3988.3908 20535.6839 14537.1729 244.7619 -203140.5949 2631.8842 0.0000 0.0000 52100.0215 -109102.6797 299.4195 -161202.7012 -108727.8289 299.2302 76.6159 98.6325 762165.7842 9.4804 9.5365 PRESSURE: 1938600 -33.7983 156.163 -322.605 156.163 -162.497 -33.5272 -322.605 -33.5273 -116.66 GPRESSURE: 1938600 -20.8518 133.412 -260.971 136.19 -124.321 10.3733 -138.601 12.2377 -95.8835 PRESSAVG: 1938600 62.499 33.8348 -71.5524 33.8349 -6.51616 55.9877 -71.5524 55.9876 2.74808 GPRESSAVG: 1938600 63.5957 33.3233 -70.3916 34.5477 -6.38644 55.8784 -74.9701 56.9597 1.78134 TIMING: 1938600 CPU: 6057.56, 0.00309591/step Wall: 6057.56, 0.00309591/step, 2.63273 hours remaining, 234.375000 MB of memory in use. ENERGY: 1938600 4003.0533 20608.9804 14508.8339 242.7032 -202834.5293 2324.0334 0.0000 0.0000 51936.3066 -109210.6185 298.4787 -161146.9252 -108851.8381 299.4377 -104.3184 -80.3521 764118.8797 19.5770 19.6635 PRESSURE: 1938800 -96.2357 112.417 271.233 112.417 14.8139 79.7299 271.232 79.7308 232.966 GPRESSURE: 1938800 -87.5855 -6.69143 272.356 157.933 5.04249 -0.231986 177.362 54.6209 327.581 PRESSAVG: 1938800 -66.9677 -0.852907 -20.4693 -0.852945 79.3306 10.2012 -20.4693 10.2012 9.16395 GPRESSAVG: 1938800 -68.2807 -2.99309 -20.6783 0.49885 80.3542 10.519 -19.2572 8.54543 9.59332 TIMING: 1938800 CPU: 6058.18, 0.00310208/step Wall: 6058.18, 0.00310208/step, 2.6378 hours remaining, 234.375000 MB of memory in use. ENERGY: 1938800 3991.5479 20636.1395 14472.1799 247.5081 -203432.6633 2708.2471 0.0000 0.0000 52236.5143 -109140.5263 300.2040 -161377.0407 -108775.8018 299.5407 50.5146 81.6794 762535.4047 7.1756 7.2223 PRESSURE: 1939000 -189.976 -108.589 231.328 -108.588 231.115 68.0497 231.329 68.0498 392.702 GPRESSURE: 1939000 -154.247 -128.529 198.857 -76.8098 306.651 103.967 252.514 233.608 356.364 PRESSAVG: 1939000 -7.83645 47.6527 -16.216 47.6527 17.8115 37.191 -16.216 37.1911 16.2494 GPRESSAVG: 1939000 -6.70474 48.4825 -15.7436 47.3737 17.0848 36.589 -13.5143 38.6436 16.2501 TIMING: 1939000 CPU: 6058.8, 0.00310456/step Wall: 6058.8, 0.00310456/step, 2.63973 hours remaining, 234.375000 MB of memory in use. ENERGY: 1939000 3969.8385 20454.6253 14541.7901 256.6182 -203137.7430 2534.9956 0.0000 0.0000 52168.1007 -109211.7746 299.8108 -161379.8753 -108846.3422 299.7278 144.6138 169.5894 761459.9927 8.7415 8.8767 PRESSURE: 1939200 337.029 26.3238 100.426 26.3245 -132.298 -51.1926 100.425 -51.1926 -37.1816 GPRESSURE: 1939200 263.213 60.1684 69.3487 -25.8136 -86.7833 -67.4907 148.377 56.5508 67.162 PRESSAVG: 1939200 -12.5841 47.2417 -31.5177 47.2417 20.6951 25.3166 -31.5177 25.3166 -11.4012 GPRESSAVG: 1939200 -11.8886 46.5278 -31.5134 47.6028 20.182 26.172 -32.6649 23.0525 -11.9985 TIMING: 1939200 CPU: 6059.43, 0.00310856/step Wall: 6059.43, 0.00310856/step, 2.64297 hours remaining, 234.375000 MB of memory in use. ENERGY: 1939200 3984.0941 20801.5656 14483.8835 243.0940 -203201.6834 2557.8099 0.0000 0.0000 51953.9617 -109177.2745 298.5801 -161131.2362 -108817.0481 299.5594 55.8498 81.1973 761928.9684 -1.0967 -1.2350 PRESSURE: 1939400 -126.695 40.7899 38.074 40.7902 125.922 -312.009 38.0743 -312.011 93.3181 GPRESSURE: 1939400 -124.745 123.095 107.001 4.66853 127.056 -341.908 25.3716 -274.885 148.218 PRESSAVG: 1939400 -35.8979 36.8358 3.46366 36.8358 -7.79998 -27.6342 3.46359 -27.6343 15.8424 GPRESSAVG: 1939400 -38.4589 37.373 4.11909 35.6108 -7.26539 -28.532 4.90668 -26.305 17.4941 TIMING: 1939400 CPU: 6060.05, 0.00310359/step Wall: 6060.05, 0.00310359/step, 2.63857 hours remaining, 234.375000 MB of memory in use. ENERGY: 1939400 4009.5145 20528.3227 14531.4458 257.3889 -203270.5620 2776.4667 0.0000 0.0000 52037.2973 -109130.1261 299.0591 -161167.4234 -108760.9710 299.3314 30.8482 50.1763 762216.5874 -9.2851 -9.4101 PRESSURE: 1939600 227.939 151.632 241.694 151.632 -368.726 -55.99 241.694 -55.9881 261.058 GPRESSURE: 1939600 206.64 6.14079 346.451 234.232 -279.73 -95.7353 167.377 -162.864 252.274 PRESSAVG: 1939600 10.0375 20.5408 -4.23493 20.5408 -19.7265 -10.7407 -4.23497 -10.7407 10.4869 GPRESSAVG: 1939600 12.5737 20.2703 -3.97991 22.3823 -21.8635 -10.7578 -4.92111 -12.8425 9.91924 TIMING: 1939600 CPU: 6060.67, 0.00310333/step Wall: 6060.67, 0.00310333/step, 2.63818 hours remaining, 234.375000 MB of memory in use. ENERGY: 1939600 3980.1761 20440.8143 14518.5158 256.4834 -203318.0130 2659.9275 0.0000 0.0000 52161.6663 -109300.4296 299.7738 -161462.0959 -108926.5524 299.2993 40.0905 59.7279 760919.7962 0.2660 0.2098 PRESSURE: 1939800 -386.338 53.6638 -72.5682 53.6639 -104.339 -2.43006 -72.5676 -2.43053 -240.745 GPRESSURE: 1939800 -318.723 60.9777 -115.838 -79.398 -70.5261 -24.8576 24.9201 -99.2126 -263.987 PRESSAVG: 1939800 -9.39679 36.9748 21.4588 36.9748 6.95197 -16.1493 21.4588 -16.1494 6.88496 GPRESSAVG: 1939800 -8.89467 37.62 19.2107 33.7499 7.84182 -17.7605 22.2303 -14.1752 5.49178 TIMING: 1939800 CPU: 6061.28, 0.00308875/step Wall: 6061.28, 0.00308875/step, 2.62561 hours remaining, 234.375000 MB of memory in use. ENERGY: 1939800 4082.4398 20388.4259 14495.7651 249.5566 -202877.8780 2456.2457 0.0000 0.0000 52098.4862 -109106.9587 299.4107 -161205.4449 -108745.3339 299.3068 -243.8072 -217.7453 762584.7105 1.4800 1.4796 PRESSURE: 1940000 167.756 -24.4873 205.625 -24.4864 178.41 228.95 205.625 228.95 141.18 GPRESSURE: 1940000 157.296 45.1843 264.446 -50.6091 201.549 144.479 244.831 328.562 192.803 PRESSAVG: 1940000 -40.6846 6.24012 49.6314 6.24012 9.20405 -33.2834 49.6314 -33.2834 -12.5272 GPRESSAVG: 1940000 -42.2125 8.78635 49.5045 6.1914 8.1855 -32.5632 47.8411 -32.2536 -9.82129 TIMING: 1940000 CPU: 6061.9, 0.00309361/step Wall: 6061.9, 0.00309361/step, 2.62957 hours remaining, 234.375000 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: 1940000 3941.8428 20660.8316 14472.8540 240.7803 -203443.5226 2980.3904 0.0000 0.0000 51947.3871 -109199.4363 298.5423 -161146.8235 -108831.5272 299.6060 162.4487 183.8827 761862.3531 -14.6692 -14.6161 PRESSURE: 1940200 -182.446 119.634 144.178 119.634 75.2849 -233.738 144.179 -233.738 61.5734 GPRESSURE: 1940200 -89.219 92.2697 159.344 44.6319 90.6426 -234.982 225.938 -67.2552 34.9305 PRESSAVG: 1940200 13.3834 40.8467 21.1143 40.8466 -28.3291 0.882474 21.1143 0.88247 -1.08187 GPRESSAVG: 1940200 15.2318 38.8624 22.0737 40.6525 -28.2526 1.37419 22.4113 -0.968689 -2.43635 TIMING: 1940200 CPU: 6062.53, 0.00311281/step Wall: 6062.53, 0.00311281/step, 2.64572 hours remaining, 234.375000 MB of memory in use. ENERGY: 1940200 3987.2809 20430.1462 14501.0514 230.3910 -203638.8371 2915.7764 0.0000 0.0000 52204.0334 -109370.1578 300.0173 -161574.1912 -109013.8022 299.3239 -15.1960 12.1180 762508.1082 -5.3425 -5.1524 LDB: ============= START OF LOAD BALANCING ============== 6075 LDB: ============== END OF LOAD BALANCING =============== 6075 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6075 LDB: ============= START OF LOAD BALANCING ============== 6075.32 LDB: Largest compute 6998 load 0.031092 is 15.9% of average load 0.195157 LDB: Average compute 0.004417 is 2.3% of average load 0.195157 LDB: TIME 6075.32 LOAD: AVG 0.195157 MAX 0.217235 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.453 MB LDB: TIME 6075.32 LOAD: AVG 0.195157 MAX 0.217235 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.453 MB LDB: TIME 6075.32 LOAD: AVG 0.195157 MAX 0.217235 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.453 MB LDB: ============== END OF LOAD BALANCING =============== 6075.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6075.33 PRESSURE: 1940400 -365.872 168.224 126.955 168.224 -274.254 74.3126 126.954 74.3129 112.501 GPRESSURE: 1940400 -322.907 186.506 83.559 219.881 -187.674 116.227 175.5 -16.9926 81.7764 PRESSAVG: 1940400 1.55048 44.8616 24.6502 44.8616 20.6194 -9.88578 24.6503 -9.88577 18.2075 GPRESSAVG: 1940400 -0.149385 43.9218 25.0698 45.5453 22.0665 -8.90133 24.7122 -9.16206 19.1369 TIMING: 1940400 CPU: 6063.16, 0.00317067/step Wall: 6063.16, 0.00317067/step, 2.69472 hours remaining, 233.660156 MB of memory in use. ENERGY: 1940400 4112.7310 20359.2679 14546.9130 249.6748 -203183.9732 2577.5845 0.0000 0.0000 52033.5955 -109304.2065 299.0378 -161337.8020 -108944.8758 299.3586 -175.8750 -142.9351 762394.8553 13.4591 13.6847 PRESSURE: 1940600 -30.492 29.4296 -185.616 29.4285 -52.2259 200.081 -185.616 200.081 -91.7934 GPRESSURE: 1940600 32.9062 34.1223 -78.303 13.6477 -32.5226 229.689 -207.979 182.73 -93.8786 PRESSAVG: 1940600 38.9432 24.507 30.0267 24.5071 -40.5904 -19.8111 30.0267 -19.8111 -4.44739 GPRESSAVG: 1940600 39.7816 23.9073 30.8089 23.8139 -40.6561 -21.5585 28.4693 -19.9734 -4.76201 TIMING: 1940600 CPU: 6063.78, 0.00308337/step Wall: 6063.78, 0.00308337/step, 2.62035 hours remaining, 233.660156 MB of memory in use. ENERGY: 1940600 3923.1910 20562.1271 14500.6097 262.0750 -203471.3681 2865.3513 0.0000 0.0000 52042.2369 -109315.7772 299.0875 -161358.0141 -108951.1550 299.1201 -58.1704 -31.1650 761443.3501 -2.0315 -1.8788 PRESSURE: 1940800 69.8597 -41.3983 66.5728 -41.3991 344.983 -56.736 66.5724 -56.7356 155.152 GPRESSURE: 1940800 169.149 -29.1421 36.456 81.8297 297.725 -91.9055 112.737 28.7021 178.287 PRESSAVG: 1940800 76.4878 18.0021 24.5383 18.0021 -63.4066 -14.4948 24.5382 -14.4948 -24.4366 GPRESSAVG: 1940800 77.182 21.5398 22.4706 18.2822 -63.8079 -13.3913 24.7677 -14.0992 -24.9491 TIMING: 1940800 CPU: 6064.4, 0.00310159/step Wall: 6064.4, 0.00310159/step, 2.63567 hours remaining, 233.660156 MB of memory in use. ENERGY: 1940800 3960.6112 20626.4385 14538.9967 246.8275 -203322.5051 2796.2854 0.0000 0.0000 51703.2594 -109450.0863 297.1393 -161153.3458 -109089.7169 299.1605 189.9981 215.0538 761189.5644 -3.7852 -3.8583 PRESSURE: 1941000 417.9 -134.076 -66.8613 -134.076 -58.7148 -45.2964 -66.8622 -45.2974 -445.943 GPRESSURE: 1941000 413.432 -182.501 -74.9066 -156.965 -24.4307 -25.0559 -140.506 -33.6061 -403.796 PRESSAVG: 1941000 5.42933 -30.4688 -22.5881 -30.4689 22.8215 -67.9678 -22.5881 -67.9678 0.430466 GPRESSAVG: 1941000 4.02555 -34.5696 -22.1167 -28.7139 23.2926 -66.0197 -22.794 -68.7057 1.7091 TIMING: 1941000 CPU: 6065.02, 0.00309673/step Wall: 6065.02, 0.00309673/step, 2.63136 hours remaining, 233.660156 MB of memory in use. ENERGY: 1941000 3956.4957 20806.4817 14542.4759 257.6008 -203977.7650 3103.0633 0.0000 0.0000 52079.5859 -109232.0617 299.3021 -161311.6476 -108872.3454 299.1135 -28.9193 -4.9314 761636.5514 9.5604 9.6757 PRESSURE: 1941200 216.386 -147.875 64.601 -147.875 74.1444 -97.329 64.6009 -97.3302 310.271 GPRESSURE: 1941200 274.372 -179.437 63.1198 -183.278 100.48 -170.985 78.5076 -15.5842 325.16 PRESSAVG: 1941200 21.5467 -6.1599 26.2036 -6.15993 -4.48769 -67.3583 26.2036 -67.3584 9.19405 GPRESSAVG: 1941200 21.5159 -5.08964 26.6226 -6.78991 -3.90672 -69.1602 25.7072 -66.0969 8.82888 TIMING: 1941200 CPU: 6065.63, 0.00309063/step Wall: 6065.63, 0.00309063/step, 2.626 hours remaining, 233.660156 MB of memory in use. ENERGY: 1941200 3857.4872 20580.8279 14530.9787 229.8705 -203518.5977 2672.1150 0.0000 0.0000 52218.4071 -109428.9113 300.0999 -161647.3184 -109063.8458 298.9440 200.2672 233.3373 760313.7119 8.7510 8.8127 PRESSURE: 1941400 303.854 207.848 55.0052 207.848 64.0462 -208.333 55.005 -208.333 85.9235 GPRESSURE: 1941400 346.454 132.511 25.7909 241.453 142.279 -201.614 -76.6756 -136.433 61.4235 PRESSAVG: 1941400 13.2939 13.4978 15.514 13.4977 -22.1998 -56.0766 15.514 -56.0766 2.04605 GPRESSAVG: 1941400 14.857 12.8213 16.087 13.4148 -23.8843 -55.8471 15.2816 -56.1569 1.98409 TIMING: 1941400 CPU: 6066.25, 0.00309251/step Wall: 6066.25, 0.00309251/step, 2.62743 hours remaining, 233.660156 MB of memory in use. ENERGY: 1941400 3912.8642 20558.1474 14493.1491 249.3790 -203718.2332 2972.4262 0.0000 0.0000 52226.8511 -109305.4162 300.1484 -161532.2673 -108938.3400 299.1915 151.2747 183.3854 761363.9196 -2.2866 -2.3477 PRESSURE: 1941600 53.4647 -24.4183 -19.9441 -24.4179 -178.334 42.3353 -19.9442 42.335 -401.709 GPRESSURE: 1941600 104.327 -76.1134 -49.7336 0.949333 -154.567 -16.506 68.4593 164.646 -375.343 PRESSAVG: 1941600 40.2863 23.1617 55.882 23.1617 -30.0742 -52.8887 55.882 -52.8887 7.01446 GPRESSAVG: 1941600 40.5356 23.842 56.1365 22.5597 -29.9214 -53.5144 57.4417 -52.6108 7.47095 TIMING: 1941600 CPU: 6066.87, 0.00309496/step Wall: 6066.87, 0.00309496/step, 2.62934 hours remaining, 233.660156 MB of memory in use. ENERGY: 1941600 4000.7684 20626.2823 14546.6516 255.7102 -203427.8434 2668.2633 0.0000 0.0000 52267.6073 -109062.5603 300.3827 -161330.1676 -108712.4843 299.5148 -175.5261 -141.8610 762440.3808 5.7422 6.0284 PRESSURE: 1941800 -451.784 -41.7249 140.581 -41.7253 -16.7841 -135.493 140.581 -135.492 -100.435 GPRESSURE: 1941800 -410.528 7.09387 162.964 -69.2899 -48.3264 -105.397 50.3853 -88.2855 -50.4197 PRESSAVG: 1941800 41.1375 13.1307 51.7206 13.1307 -27.0894 3.22358 51.7205 3.22372 23.1787 GPRESSAVG: 1941800 40.7097 10.8086 50.391 15.1656 -26.6435 3.22666 52.3195 2.99636 23.3078 TIMING: 1941800 CPU: 6067.49, 0.0031025/step Wall: 6067.49, 0.0031025/step, 2.63557 hours remaining, 233.660156 MB of memory in use. ENERGY: 1941800 4029.9831 20754.0090 14503.3704 266.6390 -203340.4721 2738.2891 0.0000 0.0000 52253.1636 -108795.0180 300.2996 -161048.1815 -108434.5407 299.8799 -189.6678 -169.7581 763458.7612 12.4090 12.4580 PRESSURE: 1942000 -430.216 88.5321 23.4419 88.5317 522.97 19.016 23.4414 19.017 33.5994 GPRESSURE: 1942000 -287.735 114.363 -25.5198 63.2255 450.405 42.1187 100.119 48.5495 34.1054 PRESSAVG: 1942000 -35.0635 -9.57244 44.0244 -9.57242 59.2648 -23.1348 44.0244 -23.1348 3.73503 GPRESSAVG: 1942000 -35.2728 -8.96498 43.6049 -11.4304 59.9308 -23.049 43.4859 -22.5076 4.14841 TIMING: 1942000 CPU: 6068.11, 0.00310129/step Wall: 6068.11, 0.00310129/step, 2.63437 hours remaining, 233.660156 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: 1942000 3979.3917 20332.6731 14543.5855 244.8870 -203235.3512 3047.9015 0.0000 0.0000 52130.3034 -108956.6090 299.5936 -161086.9124 -108596.1402 299.9405 42.1179 65.5921 766205.0930 9.3121 9.6021 PRESSURE: 1942200 44.6841 -132.174 7.11192 -132.174 36.0053 -157.075 7.11145 -157.075 330.999 GPRESSURE: 1942200 -2.24171 -79.1827 78.8488 -230.934 115.59 -94.6392 -16.1923 -204.482 387.179 PRESSAVG: 1942200 -97.1238 1.25139 27.6403 1.2514 55.1538 2.47655 27.6402 2.47656 -17.0949 GPRESSAVG: 1942200 -96.2426 1.87369 29.1803 2.54453 55.7057 1.86996 26.7473 1.36077 -18.1724 TIMING: 1942200 CPU: 6068.73, 0.00307967/step Wall: 6068.73, 0.00307967/step, 2.61584 hours remaining, 233.660156 MB of memory in use. ENERGY: 1942200 4025.8748 20562.0727 14492.0483 260.5635 -203442.3261 3160.0587 0.0000 0.0000 51998.7915 -108942.9166 298.8378 -160941.7081 -108592.4585 299.5199 137.2295 166.8425 764768.0273 -19.6883 -19.5698 PRESSURE: 1942400 13.1901 90.0977 -318.577 90.0979 55.3789 112.153 -318.577 112.153 24.0516 GPRESSURE: 1942400 -36.1628 97.0469 -341.436 242.655 79.0781 4.23412 -120.87 55.4677 142.098 PRESSAVG: 1942400 -35.7622 -14.2967 50.0529 -14.2967 9.43714 -26.1263 50.0529 -26.1264 14.3035 GPRESSAVG: 1942400 -37.7614 -13.2695 48.7809 -16.0914 8.4476 -24.3745 51.4174 -29.0405 17.3341 TIMING: 1942400 CPU: 6069.35, 0.00309121/step Wall: 6069.35, 0.00309121/step, 2.62546 hours remaining, 233.660156 MB of memory in use. ENERGY: 1942400 3937.7507 20519.8248 14468.2783 243.3094 -203323.1738 3114.2042 0.0000 0.0000 52236.7310 -108803.0754 300.2052 -161039.8065 -108436.5777 299.3063 30.8735 61.6710 764857.2038 -4.0072 -3.9932 PRESSURE: 1942600 -224.532 -280.906 -17.0869 -280.905 -284.524 -120.927 -17.0865 -120.928 429.137 GPRESSURE: 1942600 -75.9623 -319.783 -82.0655 -210.988 -253.687 -192.775 9.26585 -68.119 344.545 PRESSAVG: 1942600 -32.0792 -30.4212 -41.8293 -30.4212 30.803 -44.1161 -41.8293 -44.1161 0.568103 GPRESSAVG: 1942600 -30.455 -32.1482 -39.8909 -30.0425 31.3169 -44.5682 -42.8663 -42.0415 -1.35524 TIMING: 1942600 CPU: 6069.96, 0.00308219/step Wall: 6069.96, 0.00308219/step, 2.61763 hours remaining, 233.660156 MB of memory in use. ENERGY: 1942600 4016.5441 20506.9582 14528.5066 252.6105 -202981.2539 2990.1537 0.0000 0.0000 51917.0952 -108769.3856 298.3683 -160686.4808 -108416.1129 299.7435 -26.6396 4.9653 765752.1595 -0.2360 -0.1644 PRESSURE: 1942800 -71.5203 242.492 12.4838 242.491 96.3022 213.664 12.484 213.663 172.625 GPRESSURE: 1942800 -37.7139 291.33 -42.504 268.68 125.489 217.043 160.087 222.099 186.942 PRESSAVG: 1942800 -54.4818 6.89595 -47.7119 6.89594 21.3083 8.35001 -47.7119 8.35004 6.35942 GPRESSAVG: 1942800 -54.9098 8.58235 -49.4084 6.63785 22.4385 8.49786 -47.159 8.83971 5.69572 TIMING: 1942800 CPU: 6070.58, 0.00308089/step Wall: 6070.58, 0.00308089/step, 2.61636 hours remaining, 233.660156 MB of memory in use. ENERGY: 1942800 3983.7160 20537.7944 14396.5834 251.9301 -203003.2390 2812.4457 0.0000 0.0000 52310.6510 -108710.1184 300.6300 -161020.7694 -108343.8282 299.6764 65.8025 91.5723 764568.7202 -8.9380 -8.9252 PRESSURE: 1943000 16.1204 105.721 48.3185 105.721 -36.3799 176.989 48.3182 176.989 -64.4304 GPRESSURE: 1943000 79.5154 119.269 56.433 -20.5814 16.4916 242.449 -72.9153 64.8413 -95.8608 PRESSAVG: 1943000 -21.9308 -18.6766 -7.67693 -18.6766 47.9427 -39.9777 -7.6769 -39.9778 -8.36332 GPRESSAVG: 1943000 -19.8744 -19.4846 -7.75115 -18.8353 45.1283 -39.2251 -8.36339 -40.2971 -7.69657 TIMING: 1943000 CPU: 6071.2, 0.00308504/step Wall: 6071.2, 0.00308504/step, 2.61971 hours remaining, 233.660156 MB of memory in use. ENERGY: 1943000 4024.1374 20667.0641 14544.1538 238.8506 -203381.8753 3131.3621 0.0000 0.0000 51953.2222 -108823.0850 298.5759 -160776.3073 -108461.1639 299.9931 -28.2300 0.0487 762571.7885 5.8829 5.8525 PRESSURE: 1943200 73.8612 -43.6014 -16.543 -43.6013 -43.8809 -162.701 -16.5432 -162.701 -297.981 GPRESSURE: 1943200 159.178 96.1031 -74.4947 -22.936 -51.3247 -80.2367 136.423 -43.8253 -303.162 PRESSAVG: 1943200 -9.49308 -27.2257 5.49574 -27.2258 8.51628 -0.814376 5.49575 -0.814407 7.78534 GPRESSAVG: 1943200 -11.6805 -26.8069 4.79138 -28.0095 9.9995 0.391892 7.58878 -2.58874 8.25505 TIMING: 1943200 CPU: 6071.81, 0.00308936/step Wall: 6071.81, 0.00308936/step, 2.62321 hours remaining, 233.660156 MB of memory in use. ENERGY: 1943200 3971.9953 20484.6951 14547.8731 231.5252 -203278.9688 2704.9911 0.0000 0.0000 52416.1150 -108921.7740 301.2361 -161337.8890 -108549.4032 299.2127 -89.3334 -65.1027 763187.1279 2.2695 2.1914 PRESSURE: 1943400 -69.315 22.4047 20.1986 22.4059 332.741 -205.812 20.1986 -205.813 31.5051 GPRESSURE: 1943400 -31.5465 76.0596 -35.5435 34.2672 341.274 -166.679 -161.557 -156.259 71.6026 PRESSAVG: 1943400 -0.666342 -27.2074 -41.2714 -27.2073 -24.888 -64.6496 -41.2714 -64.6496 -9.7277 GPRESSAVG: 1943400 -0.979332 -26.5708 -38.9388 -25.7986 -25.0447 -65.2899 -44.2311 -63.1591 -9.43535 TIMING: 1943400 CPU: 6072.43, 0.00309609/step Wall: 6072.43, 0.00309609/step, 2.62875 hours remaining, 233.660156 MB of memory in use. ENERGY: 1943400 4011.2459 20511.1207 14515.1567 242.8307 -203255.7931 2925.1375 0.0000 0.0000 52183.1517 -108867.1499 299.8973 -161050.3016 -108504.9214 299.7852 98.3104 127.1099 764399.9001 -11.7607 -11.8198 PRESSURE: 1943600 68.7253 97.6328 -4.45582 97.6335 -127.767 -18.8199 -4.45658 -18.8187 -180.19 GPRESSURE: 1943600 141.584 82.9708 44.8121 61.9068 -204.955 -109.425 69.2423 -1.25645 -105.3 PRESSAVG: 1943600 35.8981 14.7286 -29.8613 14.7286 -8.03259 -26.7146 -29.8613 -26.7147 2.34623 GPRESSAVG: 1943600 35.8817 14.6467 -31.7685 12.9467 -7.62121 -28.5892 -27.8012 -24.1754 2.56411 TIMING: 1943600 CPU: 6073.05, 0.00309008/step Wall: 6073.05, 0.00309008/step, 2.62348 hours remaining, 233.660156 MB of memory in use. ENERGY: 1943600 3972.7354 20664.7987 14552.1073 258.5804 -203159.1889 2764.5317 0.0000 0.0000 52423.3508 -108523.0846 301.2777 -160946.4354 -108166.6191 300.3219 -79.7439 -56.2237 764214.0423 10.0706 10.2749 PRESSURE: 1943800 -61.7454 60.3231 -80.412 60.3231 199.38 1.06895 -80.4129 1.06868 41.0345 GPRESSURE: 1943800 36.1368 157.145 -37.1755 100.792 205.04 -61.871 -94.7037 87.4108 14.1361 PRESSAVG: 1943800 -26.9064 -8.78728 -18.8307 -8.78729 28.1099 -70.276 -18.8307 -70.276 -4.89653 GPRESSAVG: 1943800 -25.5858 -10.138 -17.6342 -7.94903 27.9068 -71.1044 -18.5361 -70.4199 -6.31306 TIMING: 1943800 CPU: 6073.67, 0.00310563/step Wall: 6073.67, 0.00310563/step, 2.63651 hours remaining, 233.660156 MB of memory in use. ENERGY: 1943800 4028.8007 20745.9680 14543.0436 266.8838 -202778.2160 2573.3996 0.0000 0.0000 52295.4399 -108324.6805 300.5426 -160620.1204 -107960.3386 300.5667 59.5562 85.1042 762670.2824 -1.2310 -1.3307 PRESSURE: 1944000 -40.221 171.003 -75.5403 171.004 -34.7245 63.0886 -75.5399 63.0888 79.8681 GPRESSURE: 1944000 50.617 55.6703 -150.641 81.7651 71.3536 79.0264 39.5458 130.864 -27.2389 PRESSAVG: 1944000 -35.7723 11.011 -7.50032 11.011 12.7422 -26.4507 -7.50034 -26.4508 -16.051 GPRESSAVG: 1944000 -37.4397 11.9473 -6.94027 7.94677 13.0951 -24.9308 -9.27099 -28.1761 -15.0178 TIMING: 1944000 CPU: 6074.29, 0.00310643/step Wall: 6074.29, 0.00310643/step, 2.63702 hours remaining, 233.660156 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: 1944000 4001.1782 20543.8537 14451.4726 233.8504 -202634.1726 2862.5193 0.0000 0.0000 52266.5924 -108274.7060 300.3768 -160541.2983 -107923.3200 301.2362 1.6409 31.5772 764265.7974 -13.0270 -13.1208 PRESSURE: 1944200 -136.699 -77.8785 138.452 -77.8784 153.682 -125.536 138.452 -125.536 -69.9449 GPRESSURE: 1944200 -155.521 -62.5589 152.341 -166.98 161.346 -139.923 103.489 -133.795 6.86366 PRESSAVG: 1944200 13.2685 -18.947 -1.91781 -18.947 -19.0065 -24.8883 -1.91785 -24.8884 10.0143 GPRESSAVG: 1944200 14.0078 -20.8554 -1.18274 -14.7451 -18.7946 -25.3575 -2.52221 -26.1104 9.06376 TIMING: 1944200 CPU: 6074.91, 0.00309809/step Wall: 6074.91, 0.00309809/step, 2.62976 hours remaining, 233.660156 MB of memory in use. ENERGY: 1944200 3952.7389 20744.7909 14587.2389 231.2831 -202788.4831 2688.3761 0.0000 0.0000 52293.9708 -108290.0843 300.5342 -160584.0551 -107930.5928 301.0789 -17.6540 4.2296 763515.8713 1.4254 1.4257 LDB: ============= START OF LOAD BALANCING ============== 6087.39 LDB: ============== END OF LOAD BALANCING =============== 6087.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6087.39 LDB: ============= START OF LOAD BALANCING ============== 6087.7 LDB: Largest compute 6998 load 0.030362 is 15.6% of average load 0.195041 LDB: Average compute 0.004415 is 2.3% of average load 0.195041 LDB: TIME 6087.71 LOAD: AVG 0.195041 MAX 0.219983 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.945 MB LDB: TIME 6087.71 LOAD: AVG 0.195041 MAX 0.219983 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.945 MB LDB: TIME 6087.71 LOAD: AVG 0.195041 MAX 0.217019 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.945 MB LDB: ============== END OF LOAD BALANCING =============== 6087.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6087.71 PRESSURE: 1944400 -181.442 -71.9012 157.457 -71.9011 -11.2145 -107.47 157.457 -107.47 -499.049 GPRESSURE: 1944400 -172.601 -87.1499 215.265 -56.599 50.7286 -94.1341 135.818 -84.8246 -477.521 PRESSAVG: 1944400 -24.362 -4.61548 6.04006 -4.61548 24.3435 24.5355 6.03999 24.5355 -16.8888 GPRESSAVG: 1944400 -25.4735 -1.77322 3.54903 -8.01284 25.9324 25.2571 7.6653 24.6704 -16.7946 TIMING: 1944400 CPU: 6075.55, 0.00317161/step Wall: 6075.55, 0.00317161/step, 2.69199 hours remaining, 235.792969 MB of memory in use. ENERGY: 1944400 4015.5086 20712.5404 14500.6550 242.4700 -202546.5494 2519.1242 0.0000 0.0000 52177.9314 -108378.3198 299.8673 -160556.2512 -108015.1527 300.7930 -230.5683 -199.7979 765327.1251 -5.6358 -5.4452 PRESSURE: 1944600 -330.503 93.3202 -140.922 93.3211 -261.173 -90.3092 -140.922 -90.3088 56.3198 GPRESSURE: 1944600 -253.535 164.409 -64.1392 75.6509 -155.604 -66.2246 -85.6415 -144.039 -39.6239 PRESSAVG: 1944600 -10.1407 -9.02642 22.4342 -9.02643 25.1168 -10.2647 22.4342 -10.2647 -0.655087 GPRESSAVG: 1944600 -9.56177 -11.9042 24.1541 -6.08536 23.3875 -9.76103 21.1811 -8.64566 0.29769 TIMING: 1944600 CPU: 6076.17, 0.00309005/step Wall: 6076.17, 0.00309005/step, 2.62259 hours remaining, 235.792969 MB of memory in use. ENERGY: 1944600 3960.1280 20689.3671 14511.9418 241.4683 -202777.3523 2606.4215 0.0000 0.0000 52327.0514 -108440.9742 300.7243 -160768.0255 -108083.6431 300.5349 -178.4523 -149.5877 764093.6784 4.7737 4.7078 PRESSURE: 1944800 -188.004 -6.69649 -142.495 -6.69666 -115.022 -38.2845 -142.494 -38.2851 33.5664 GPRESSURE: 1944800 -222.196 68.9994 -160.438 40.8199 -35.5617 -62.2454 69.6667 128.59 87.9108 PRESSAVG: 1944800 30.8016 18.6808 -8.43363 18.6807 -44.6968 -35.5001 -8.43363 -35.5001 -1.74726 GPRESSAVG: 1944800 30.6773 20.5777 -7.38712 18.3978 -43.9632 -36.256 -8.01021 -34.8609 -1.99437 TIMING: 1944800 CPU: 6076.78, 0.00308327/step Wall: 6076.78, 0.00308327/step, 2.61667 hours remaining, 236.050781 MB of memory in use. ENERGY: 1944800 3963.1921 20516.5190 14491.0200 252.2834 -202779.7356 2567.5282 0.0000 0.0000 52264.2935 -108724.8993 300.3636 -160989.1929 -108360.4792 300.4064 -89.8200 -56.6157 763345.4926 -5.2142 -5.0934 PRESSURE: 1945000 97.869 112.718 -82.5605 112.718 178.538 -83.1823 -82.5614 -83.183 275.483 GPRESSURE: 1945000 157.754 92.0698 -98.4767 60.5614 137.73 -114.031 -77.4024 -69.1506 324.344 PRESSAVG: 1945000 0.38521 28.0956 -33.492 28.0957 -11.85 -9.31324 -33.4921 -9.3133 -29.2458 GPRESSAVG: 1945000 1.40008 27.2287 -35.6072 29.1011 -12.3493 -9.07386 -33.4932 -10.4932 -29.1764 TIMING: 1945000 CPU: 6077.4, 0.00309621/step Wall: 6077.4, 0.00309621/step, 2.62748 hours remaining, 236.050781 MB of memory in use. ENERGY: 1945000 3934.9118 20421.3681 14472.0478 249.8616 -203095.7700 2663.8442 0.0000 0.0000 52390.5632 -108963.1732 301.0893 -161353.7364 -108587.6270 299.7688 183.9632 206.6093 763034.4432 -13.5702 -13.3752 PRESSURE: 1945200 368.079 -253.075 -55.6804 -253.075 -29.9402 129.699 -55.6802 129.699 65.508 GPRESSURE: 1945200 428.122 -189.145 -59.5487 -196.406 34.8135 135.842 26.7564 90.4523 33.3563 PRESSAVG: 1945200 -9.85375 49.1894 35.6 49.1894 -1.11245 -15.2428 35.5999 -15.2429 0.954488 GPRESSAVG: 1945200 -10.2407 47.5456 34.4344 49.5424 -1.2614 -15.9509 35.2009 -13.3306 1.16621 TIMING: 1945200 CPU: 6078.02, 0.00310081/step Wall: 6078.02, 0.00310081/step, 2.63121 hours remaining, 236.050781 MB of memory in use. ENERGY: 1945200 3997.8657 20728.4781 14477.3623 255.4025 -202955.6253 2640.5458 0.0000 0.0000 51951.8034 -108904.1674 298.5677 -160855.9708 -108541.7260 299.3293 134.5489 165.4305 763132.9526 -3.3372 -3.4453 PRESSURE: 1945400 -33.4936 -92.8006 -27.6112 -92.8008 -95.6195 105.573 -27.61 105.573 -121.139 GPRESSURE: 1945400 -66.3554 -119.264 -78.6481 -98.1246 29.47 157.42 -14.7752 -28.3168 -149.892 PRESSAVG: 1945400 -43.0184 -9.05222 -14.1741 -9.05215 18.8008 -9.37406 -14.1741 -9.37405 -37.8565 GPRESSAVG: 1945400 -44.6168 -6.65946 -13.2055 -8.51019 21.2656 -10.2118 -13.6396 -10.8357 -38.5866 TIMING: 1945400 CPU: 6078.64, 0.00311241/step Wall: 6078.64, 0.00311241/step, 2.64088 hours remaining, 236.050781 MB of memory in use. ENERGY: 1945400 3971.0884 20590.4474 14483.4271 258.4066 -202765.8433 2625.2139 0.0000 0.0000 51967.1961 -108870.0638 298.6562 -160837.2599 -108496.1643 299.6965 -83.4173 -62.2590 763776.5229 -20.6913 -20.6459 PRESSURE: 1945600 -451.353 -113.059 -142.298 -113.059 -34.8406 -75.8355 -142.298 -75.8359 -28.3811 GPRESSURE: 1945600 -286.614 -123.502 -122.144 4.30584 -93.1321 -28.5561 -176.213 -94.8951 -60.625 PRESSAVG: 1945600 15.9945 4.38424 -30.0676 4.38428 -10.8514 -13.4982 -30.0676 -13.4982 -2.06619 GPRESSAVG: 1945600 18.3221 4.66803 -27.711 2.50695 -13.1321 -10.1725 -30.4875 -13.4171 -2.6873 TIMING: 1945600 CPU: 6079.27, 0.00311327/step Wall: 6079.27, 0.00311327/step, 2.64144 hours remaining, 236.050781 MB of memory in use. ENERGY: 1945600 4053.1990 20513.0672 14514.9482 260.1975 -202619.9306 2434.5361 0.0000 0.0000 51890.9503 -108953.0323 298.2180 -160843.9826 -108591.7524 299.4712 -171.5250 -146.7903 762954.0755 1.0257 0.8342 PRESSURE: 1945800 249.59 150.319 -18.0096 150.32 123.269 -50.3338 -18.0085 -50.3342 -140.31 GPRESSURE: 1945800 300.726 17.8406 -72.2499 207.816 152.049 -69.3032 -46.4716 68.6794 -131.322 PRESSAVG: 1945800 20.037 66.3772 -33.205 66.3773 -22.3974 -28.9563 -33.205 -28.9563 16.2179 GPRESSAVG: 1945800 20.2455 64.6612 -34.9884 65.9549 -23.6299 -30.4427 -32.3316 -29.6903 17.2625 TIMING: 1945800 CPU: 6079.89, 0.00311433/step Wall: 6079.89, 0.00311433/step, 2.64216 hours remaining, 236.050781 MB of memory in use. ENERGY: 1945800 3928.1313 20538.5338 14458.3433 249.7753 -202958.1817 2735.5520 0.0000 0.0000 52152.2075 -108895.6385 299.7195 -161047.8461 -108530.6812 299.6464 77.5164 107.1510 762777.0849 4.6192 4.6260 PRESSURE: 1946000 131.774 -38.9434 -52.7942 -38.9429 -5.10502 24.1144 -52.7946 24.1148 471.309 GPRESSURE: 1946000 211.433 -22.1557 -28.9918 55.9129 57.908 -3.65754 70.2799 127.541 436.963 PRESSAVG: 1946000 45.0978 15.9209 -34.7996 15.921 -23.9641 12.8898 -34.7997 12.8898 -28.4737 GPRESSAVG: 1946000 42.1334 17.166 -34.1955 14.8813 -21.0462 12.9246 -36.159 13.9365 -27.9711 TIMING: 1946000 CPU: 6080.51, 0.00311493/step Wall: 6080.51, 0.00311493/step, 2.6425 hours remaining, 236.050781 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: 1946000 3933.6414 20465.0809 14394.0908 253.7055 -202962.7449 2953.1409 0.0000 0.0000 52117.2134 -108845.8718 299.5183 -160963.0853 -108483.6429 299.6196 199.3261 235.4349 763238.0132 -2.4467 -2.2946 PRESSURE: 1946200 -44.6234 -50.4378 99.7514 -50.4374 -406.865 29.474 99.7511 29.4743 -360.831 GPRESSURE: 1946200 -63.7378 -67.6609 179.454 -144.845 -342.08 -0.263216 30.1312 -21.3869 -327.997 PRESSAVG: 1946200 -37.1605 -17.7473 -23.7972 -17.7474 -0.575062 -37.15 -23.7972 -37.15 15.6499 GPRESSAVG: 1946200 -36.5298 -17.5804 -22.9756 -16.0649 -1.63582 -37.3829 -19.7202 -38.3718 15.7831 TIMING: 1946200 CPU: 6081.13, 0.00310652/step Wall: 6081.13, 0.00310652/step, 2.63519 hours remaining, 236.050781 MB of memory in use. ENERGY: 1946200 3952.1594 20704.6763 14499.2548 245.0526 -202359.4806 2253.9475 0.0000 0.0000 51914.7555 -108789.6345 298.3548 -160704.3900 -108424.6603 300.1358 -270.7733 -244.6047 764241.6444 -7.3619 -7.4608 PRESSURE: 1946400 -137.574 -16.0527 92.0905 -16.0527 -469.708 -99.3033 92.0906 -99.3039 -444.732 GPRESSURE: 1946400 -50.7534 23.0859 66.092 -23.0209 -417.998 -62.9051 32.9951 60.3214 -487.731 PRESSAVG: 1946400 -28.2724 16.2014 44.0868 16.2014 4.64906 12.3327 44.0868 12.3328 -1.94717 GPRESSAVG: 1946400 -27.1569 16.5025 41.9091 17.0486 4.62918 12.2313 41.0902 14.9538 -2.99827 TIMING: 1946400 CPU: 6081.75, 0.00310115/step Wall: 6081.75, 0.00310115/step, 2.63046 hours remaining, 236.050781 MB of memory in use. ENERGY: 1946400 3928.9453 20529.5435 14503.3433 258.6585 -202588.3777 2306.1516 0.0000 0.0000 52338.2744 -108723.4611 300.7888 -161061.7355 -108354.6874 299.8709 -350.6712 -318.8275 762791.1787 -8.5235 -8.5087 PRESSURE: 1946600 -551.245 -35.2282 -210.146 -35.2271 -198.21 -60.9863 -210.146 -60.9875 338.144 GPRESSURE: 1946600 -465.343 -18.3978 -272.699 50.1828 -221.565 -79.671 -120.689 -241.615 361.031 PRESSAVG: 1946600 15.8537 54.5636 -23.0405 54.5635 -20.0955 3.5575 -23.0405 3.55746 11.9009 GPRESSAVG: 1946600 15.9173 54.0379 -23.1063 53.2178 -19.9836 4.04277 -21.6515 1.96302 11.692 TIMING: 1946600 CPU: 6082.37, 0.00309685/step Wall: 6082.37, 0.00309685/step, 2.62664 hours remaining, 236.050781 MB of memory in use. ENERGY: 1946600 4011.3508 20303.8992 14474.5785 244.1309 -202666.5794 2396.1646 0.0000 0.0000 52276.9492 -108959.5062 300.4363 -161236.4554 -108598.9533 299.7968 -137.1037 -108.6260 762321.4541 2.5530 2.5419 PRESSURE: 1946800 4.49068 -18.7365 -71.8262 -18.7357 180.264 -69.9375 -71.8262 -69.9377 48.2683 GPRESSURE: 1946800 4.19651 -98.0268 -1.24326 -7.22301 198.039 -25.6123 -52.437 -137.457 129.503 PRESSAVG: 1946800 -42.9867 -8.2255 33.5968 -8.22549 42.3921 -12.2251 33.5968 -12.2251 6.22637 GPRESSAVG: 1946800 -42.9093 -7.08601 33.6812 -8.74129 42.4578 -14.619 34.6844 -9.56671 6.53672 TIMING: 1946800 CPU: 6082.99, 0.00310433/step Wall: 6082.99, 0.00310433/step, 2.63282 hours remaining, 236.050781 MB of memory in use. ENERGY: 1946800 4036.4541 20447.2313 14510.7805 236.4568 -202899.6788 2872.9124 0.0000 0.0000 52087.3216 -108708.5221 299.3466 -160795.8437 -108351.8015 299.9241 77.6743 110.5795 763899.0691 1.8773 2.0284 PRESSURE: 1947000 -168.481 -147.555 67.0418 -147.555 -29.0318 -47.2045 67.0407 -47.2049 -476.161 GPRESSURE: 1947000 -96.4363 -241.243 74.8375 -73.7757 -179.397 -13.5445 155.199 -158.164 -308.174 PRESSAVG: 1947000 -60.9762 0.434709 -11.6953 0.434702 29.6868 -5.45349 -11.6954 -5.45351 -14.5717 GPRESSAVG: 1947000 -60.0567 -0.912024 -10.2926 -0.192103 28.202 -4.03701 -12.4907 -8.02059 -14.2286 TIMING: 1947000 CPU: 6083.62, 0.0031124/step Wall: 6083.62, 0.0031124/step, 2.63949 hours remaining, 236.050781 MB of memory in use. ENERGY: 1947000 4045.1234 20444.0936 14550.3563 258.5998 -203202.8082 2671.2646 0.0000 0.0000 52180.2809 -109053.0895 299.8808 -161233.3704 -108695.8450 299.7364 -224.5579 -194.6692 763187.6841 -15.2870 -15.3611 PRESSURE: 1947200 -141.083 -36.1837 -389.48 -36.1827 101.873 48.1782 -389.48 48.1784 -74.7604 GPRESSURE: 1947200 -93.9209 -125.584 -364.744 28.5721 156.696 124.973 -376.209 -46.4906 -104.729 PRESSAVG: 1947200 0.079318 -13.7211 -5.93178 -13.721 15.8146 -40.1977 -5.93182 -40.1977 16.9993 GPRESSAVG: 1947200 -1.06621 -11.1642 -5.34842 -12.725 17.5302 -38.4727 -6.56883 -39.9909 15.7698 TIMING: 1947200 CPU: 6084.24, 0.00309926/step Wall: 6084.24, 0.00309926/step, 2.62817 hours remaining, 236.050781 MB of memory in use. ENERGY: 1947200 4047.6233 20466.1740 14435.2967 258.7300 -203481.9986 2913.7062 0.0000 0.0000 51987.6915 -109372.7769 298.7740 -161360.4684 -109009.0066 299.1622 -37.9900 -13.9844 761727.3544 10.9644 10.7446 PRESSURE: 1947400 111.366 221.092 93.9075 221.092 250.608 76.4917 93.9078 76.4917 126.123 GPRESSURE: 1947400 64.9867 87.3879 55.4376 344.611 354.264 97.6016 -13.2031 45.0926 158.367 PRESSAVG: 1947400 3.22163 -11.6417 2.39252 -11.6417 -29.9775 -9.10033 2.39248 -9.10034 4.43991 GPRESSAVG: 1947400 3.30999 -12.6536 1.97282 -10.4756 -29.8339 -9.00215 1.24581 -10.3563 4.42536 TIMING: 1947400 CPU: 6084.86, 0.00309435/step Wall: 6084.86, 0.00309434/step, 2.62383 hours remaining, 236.050781 MB of memory in use. ENERGY: 1947400 3991.7286 20370.9243 14481.6870 253.2326 -203448.8591 2852.5260 0.0000 0.0000 52006.7072 -109492.0534 298.8833 -161498.7606 -109125.0355 298.4474 162.6989 192.5391 763472.5787 -7.4386 -7.3662 PRESSURE: 1947600 321.015 207.066 -149.828 207.066 179.5 -6.34679 -149.829 -6.34752 114.023 GPRESSURE: 1947600 334.188 311.841 -102.407 27.7833 281.704 9.36961 -113.968 59.687 89.7635 PRESSAVG: 1947600 13.9031 -39.6419 -13.7959 -39.642 28.3896 -11.7231 -13.7959 -11.7231 3.25823 GPRESSAVG: 1947600 13.562 -39.5803 -14.801 -41.8777 29.3234 -13.1025 -9.9699 -9.78637 2.88898 TIMING: 1947600 CPU: 6085.47, 0.003093/step Wall: 6085.47, 0.003093/step, 2.62252 hours remaining, 236.050781 MB of memory in use. ENERGY: 1947600 3910.3413 20482.1418 14486.9900 242.6195 -203470.0621 2891.7894 0.0000 0.0000 51922.1844 -109533.9957 298.3975 -161456.1801 -109176.2459 298.5951 204.8458 235.2183 762180.1060 15.1836 15.2581 PRESSURE: 1947800 -141.111 -52.4018 -39.103 -52.4013 -54.3532 53.977 -39.1033 53.9754 75.6925 GPRESSURE: 1947800 -113.43 -22.4396 -12.5713 -31.8571 6.66604 84.1786 -35.9813 65.0391 65.206 PRESSAVG: 1947800 -46.7995 -17.4483 -62.5893 -17.4483 67.9032 -14.9962 -62.5893 -14.9963 -4.51004 GPRESSAVG: 1947800 -46.3044 -18.3082 -62.417 -16.5016 68.004 -13.7233 -65.8402 -15.1334 -4.6111 TIMING: 1947800 CPU: 6086.1, 0.00310316/step Wall: 6086.1, 0.00310316/step, 2.63096 hours remaining, 236.050781 MB of memory in use. ENERGY: 1947800 3987.7585 20342.1884 14421.2341 234.9093 -203228.0722 2804.9533 0.0000 0.0000 51705.2324 -109731.7963 297.1507 -161437.0288 -109382.5493 297.9941 -39.9238 -13.8528 764797.9938 5.5312 5.6962 PRESSURE: 1948000 81.8743 -167.466 141.851 -167.466 282.896 -12.9775 141.85 -12.9774 -162.1 GPRESSURE: 1948000 154.225 -175.391 135.361 -146.236 354.801 70.2735 88.6219 -48.5364 -238.522 PRESSAVG: 1948000 -80.6471 25.4749 -22.5701 25.4748 22.8561 -10.6568 -22.5701 -10.6569 -4.17276 GPRESSAVG: 1948000 -81.2525 25.0416 -22.6794 25.9717 22.6038 -9.68566 -20.9309 -11.847 -3.40136 TIMING: 1948000 CPU: 6086.72, 0.00310894/step Wall: 6086.72, 0.00310894/step, 2.63569 hours remaining, 236.050781 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: 1948000 3939.6293 20540.3930 14436.6164 264.3544 -203714.5126 3060.2547 0.0000 0.0000 51987.6817 -109485.5832 298.7739 -161473.2649 -109131.3306 297.8727 67.5567 90.1681 764115.4113 -20.6546 -20.6833 PRESSURE: 1948200 -22.5072 212.874 -54.6333 212.874 451.954 -31.2381 -54.6327 -31.2368 174.436 GPRESSURE: 1948200 47.1992 134.227 -89.8448 152.491 426.305 15.8454 -138.77 -117.841 217.41 PRESSAVG: 1948200 -62.9329 -4.04143 -27.3213 -4.04145 35.1748 -49.4825 -27.3214 -49.4825 -18.3117 GPRESSAVG: 1948200 -63.1029 -1.15706 -27.2061 -4.94391 33.4978 -50.5268 -26.0545 -49.3895 -16.922 TIMING: 1948200 CPU: 6087.34, 0.00311377/step Wall: 6087.34, 0.00311377/step, 2.63961 hours remaining, 236.050781 MB of memory in use. ENERGY: 1948200 3993.9150 20396.5718 14460.0182 242.7626 -203526.7139 3062.4346 0.0000 0.0000 51855.5227 -109515.4890 298.0144 -161371.0118 -109155.1359 298.5531 201.2943 230.3046 763767.8510 -15.3566 -15.5090 LDB: ============= START OF LOAD BALANCING ============== 6099.82 LDB: ============== END OF LOAD BALANCING =============== 6099.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6099.82 LDB: ============= START OF LOAD BALANCING ============== 6100.13 LDB: Largest compute 7069 load 0.030585 is 15.7% of average load 0.194995 LDB: Average compute 0.004426 is 2.3% of average load 0.194995 LDB: TIME 6100.13 LOAD: AVG 0.194995 MAX 0.213491 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.891 MB LDB: TIME 6100.13 LOAD: AVG 0.194995 MAX 0.213491 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.895 MB LDB: TIME 6100.13 LOAD: AVG 0.194995 MAX 0.213491 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.895 MB LDB: ============== END OF LOAD BALANCING =============== 6100.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6100.14 PRESSURE: 1948400 -165.32 269.481 -26.8981 269.482 -158.235 158.585 -26.8971 158.586 -205.135 GPRESSURE: 1948400 -105.701 95.7129 -111.345 292.81 -92.0203 198.224 112.603 175.886 -257.731 PRESSAVG: 1948400 -42.0191 93.7206 -22.9885 93.7207 3.20835 -65.4 -22.9886 -65.3999 9.52778 GPRESSAVG: 1948400 -41.6922 90.7171 -22.4471 94.5072 3.57005 -66.7039 -23.7481 -66.1735 8.80112 TIMING: 1948400 CPU: 6087.98, 0.00317826/step Wall: 6087.98, 0.00317826/step, 2.6941 hours remaining, 235.023438 MB of memory in use. ENERGY: 1948400 3983.1550 20393.4168 14512.9073 249.2058 -203217.7856 2767.1001 0.0000 0.0000 51792.3080 -109519.6925 297.6511 -161312.0006 -109159.7037 298.7365 -176.2299 -151.8174 763692.2196 -9.7610 -9.7737 PRESSURE: 1948600 387.795 253.884 12.8293 253.884 -165.409 -227.475 12.8292 -227.474 32.0928 GPRESSURE: 1948600 383.936 210.658 -35.8035 264.417 -136.973 -220.009 95.5977 -142.86 90.0027 PRESSAVG: 1948600 1.54595 23.6404 1.20381 23.6404 -9.51938 -84.7973 1.20382 -84.7973 3.93927 GPRESSAVG: 1948600 1.75993 23.5501 0.341068 24.3168 -9.1863 -83.1936 2.20942 -81.6216 3.3334 TIMING: 1948600 CPU: 6088.6, 0.00310526/step Wall: 6088.6, 0.00310526/step, 2.63205 hours remaining, 235.226562 MB of memory in use. ENERGY: 1948600 4008.2511 20539.2139 14428.7959 225.1087 -203023.5833 2652.8567 0.0000 0.0000 51956.4661 -109212.8909 298.5945 -161169.3570 -108849.2188 298.8643 84.8262 112.3220 765133.9847 -1.3447 -1.3643 PRESSURE: 1948800 -190.781 22.1896 213.024 22.1889 -15.7892 -322.732 213.024 -322.732 -81.4585 GPRESSURE: 1948800 -96.752 -40.3849 261.096 88.2694 -45.4519 -364.341 209.351 -277.995 -66.4591 PRESSAVG: 1948800 -11.14 13.1384 -5.05349 13.1382 32.2821 -38.0403 -5.05345 -38.0403 -6.63276 GPRESSAVG: 1948800 -11.7718 13.7506 -4.41662 11.6385 31.7321 -38.8785 -7.93874 -37.8009 -6.04891 TIMING: 1948800 CPU: 6089.22, 0.00311089/step Wall: 6089.22, 0.00311089/step, 2.63665 hours remaining, 235.226562 MB of memory in use. ENERGY: 1948800 4021.4771 20467.6435 14505.6713 233.4634 -203151.2642 2690.8620 0.0000 0.0000 52170.7262 -109061.4207 299.8259 -161232.1468 -108709.5303 299.5371 -96.0094 -69.5543 763785.3192 4.8365 4.6371 PRESSURE: 1949000 82.5735 274.025 -132.051 274.025 -70.0006 126.447 -132.051 126.447 -90.2164 GPRESSURE: 1949000 65.8989 171.653 -105.939 261.032 20.0013 96.326 11.8465 149.244 -82.0902 PRESSAVG: 1949000 24.983 33.7136 19.1136 33.7135 6.15784 20.8636 19.1136 20.8636 8.07233 GPRESSAVG: 1949000 23.7156 32.5991 20.1763 34.3543 8.04883 20.8471 19.0572 17.3587 7.1845 TIMING: 1949000 CPU: 6089.84, 0.00311221/step Wall: 6089.84, 0.00311221/step, 2.6376 hours remaining, 235.226562 MB of memory in use. ENERGY: 1949000 3996.7693 20612.6401 14416.3645 260.3370 -202902.3861 2411.3291 0.0000 0.0000 52001.0012 -109203.9449 298.8505 -161204.9461 -108837.9178 299.3944 -25.8812 1.2700 764472.6341 13.0711 12.9830 PRESSURE: 1949200 -404.044 -171.834 49.168 -171.833 -330.13 255.282 49.1679 255.284 -1.581 GPRESSURE: 1949200 -321.327 -119.921 -45.4788 -115.663 -334.085 151.202 -46.0592 204.998 8.16087 PRESSAVG: 1949200 6.1272 -16.4368 -1.81664 -16.4368 -27.4944 12.6809 -1.81665 12.6809 9.84446 GPRESSAVG: 1949200 7.26984 -17.108 -1.88734 -15.7008 -29.0676 12.8522 -2.4716 12.218 10.1057 TIMING: 1949200 CPU: 6090.46, 0.0030908/step Wall: 6090.46, 0.0030908/step, 2.61928 hours remaining, 235.226562 MB of memory in use. ENERGY: 1949200 4019.4203 20481.2541 14515.9482 238.8386 -203253.4326 2770.7408 0.0000 0.0000 52198.1939 -109029.0367 299.9837 -161227.2306 -108661.5676 299.4068 -245.2517 -215.7504 763564.8327 -3.8409 -3.8974 PRESSURE: 1949400 -51.1168 153.545 -251.775 153.544 -218.824 4.22535 -251.774 4.22634 19.9858 GPRESSURE: 1949400 -55.713 121.54 -195.876 227.989 -173.624 -54.3234 -154.277 -1.11618 80.5115 PRESSAVG: 1949400 -0.325549 -14.7135 -16.9129 -14.7134 7.13953 43.0558 -16.9129 43.0559 10.5018 GPRESSAVG: 1949400 -0.949235 -15.1918 -16.9881 -15.2577 7.46105 43.1256 -13.7002 43.8479 11.0482 TIMING: 1949400 CPU: 6091.08, 0.00309591/step Wall: 6091.08, 0.00309591/step, 2.62344 hours remaining, 235.226562 MB of memory in use. ENERGY: 1949400 3971.2810 20634.0585 14466.0226 237.9959 -203276.4225 2776.0121 0.0000 0.0000 52129.0757 -109061.9767 299.5865 -161191.0524 -108697.8295 299.8826 -83.3184 -49.6085 762783.5246 5.7719 5.8533 PRESSURE: 1949600 -71.2227 144.219 -96.9431 144.219 214.478 105.029 -96.9432 105.029 315.037 GPRESSURE: 1949600 -122.162 49.5153 -52.2461 7.60918 208.636 77.861 -87.1443 9.89572 429.079 PRESSAVG: 1949600 -27.311 68.7515 0.138986 68.7515 18.1238 -16.4829 0.138915 -16.4828 4.37495 GPRESSAVG: 1949600 -27.83 72.2127 0.587452 66.9574 18.1718 -16.727 -1.18987 -17.0041 4.53283 TIMING: 1949600 CPU: 6091.7, 0.0031107/step Wall: 6091.7, 0.0031107/step, 2.6358 hours remaining, 235.226562 MB of memory in use. ENERGY: 1949600 4021.8391 20543.5833 14417.3644 258.3887 -203206.1184 2778.3169 0.0000 0.0000 51802.3911 -109384.2349 297.7091 -161186.6260 -109032.4057 299.3453 152.7639 171.8513 762492.2579 -1.6041 -1.7085 PRESSURE: 1949800 -121.452 55.6617 42.0196 55.6615 -515.81 83.3451 42.019 83.3455 118.1 GPRESSURE: 1949800 -74.1113 -77.512 56.8615 60.5436 -490.982 165.161 -126.928 102.196 118.769 PRESSAVG: 1949800 22.7264 -42.1126 -30.5373 -42.1127 -13.192 -40.6719 -30.5373 -40.6719 -5.34023 GPRESSAVG: 1949800 23.5584 -43.7406 -32.1635 -39.1719 -13.2027 -40.1523 -31.3552 -38.99 -6.02279 TIMING: 1949800 CPU: 6092.33, 0.00313968/step Wall: 6092.33, 0.00313968/step, 2.66018 hours remaining, 235.226562 MB of memory in use. ENERGY: 1949800 3992.3346 20431.9795 14460.1200 256.3531 -202881.0037 2513.1229 0.0000 0.0000 51776.9169 -109450.1767 297.5627 -161227.0936 -109095.8215 298.7543 -173.0539 -148.7745 763867.1025 1.3981 1.4443 PRESSURE: 1950000 87.353 46.2074 -222.782 46.2079 -154.948 34.061 -222.782 34.06 -476.402 GPRESSURE: 1950000 12.3485 73.9314 -222.409 35.4726 -62.4363 3.33952 -93.423 -15.9649 -421.071 PRESSAVG: 1950000 -2.26558 13.3765 29.2175 13.3765 17.1402 3.905 29.2175 3.90494 12.4204 GPRESSAVG: 1950000 -2.57445 14.3166 29.6202 11.7274 17.7743 2.98102 30.3041 2.87385 11.9236 TIMING: 1950000 CPU: 6092.95, 0.00311743/step Wall: 6092.95, 0.00311743/step, 2.64116 hours remaining, 235.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1950000 4009.8746 20638.3628 14441.8740 248.0750 -203636.6972 2952.2223 0.0000 0.0000 52086.9493 -109259.3394 299.3444 -161346.2886 -108888.3632 298.6180 -181.3322 -157.0529 762460.4508 9.0984 9.0412 PRESSURE: 1950200 40.7978 -153.29 70.8167 -153.291 14.6018 -57.0626 70.8158 -57.0621 -63.906 GPRESSURE: 1950200 93.1809 -133.313 -0.959683 -253.155 -31.2585 -91.1617 -53.5582 -70.9664 -13.9487 PRESSAVG: 1950200 -62.4448 10.2878 -62.8239 10.2878 39.381 -78.0483 -62.8239 -78.0483 -6.38744 GPRESSAVG: 1950200 -62.0792 10.6064 -61.6929 11.9745 37.9628 -77.9787 -65.8559 -76.505 -5.04273 TIMING: 1950200 CPU: 6093.57, 0.00309992/step Wall: 6093.57, 0.00309992/step, 2.62615 hours remaining, 235.226562 MB of memory in use. ENERGY: 1950200 3945.8054 20607.5448 14473.6321 255.8689 -203227.7772 2785.5280 0.0000 0.0000 52022.0185 -109137.3795 298.9713 -161159.3979 -108785.5499 298.7125 -2.8355 15.9912 763862.8396 -9.8171 -9.7197 PRESSURE: 1950400 -84.4805 36.8437 -31.7087 36.8433 61.7163 -82.1713 -31.7084 -82.171 -289.196 GPRESSURE: 1950400 -166.053 35.6629 2.6197 116.185 31.6264 -92.621 27.4177 -76.5736 -93.8957 PRESSAVG: 1950400 -21.2269 -15.2172 13.5613 -15.2172 12.2789 7.08736 13.5614 7.08735 12.7101 GPRESSAVG: 1950400 -21.2259 -15.8368 12.8827 -14.747 12.0007 7.21654 15.425 6.06396 13.1861 TIMING: 1950400 CPU: 6094.19, 0.00310155/step Wall: 6094.19, 0.00310155/step, 2.62736 hours remaining, 235.226562 MB of memory in use. ENERGY: 1950400 3987.9163 20569.4868 14454.7257 252.4547 -203249.6553 2790.5181 0.0000 0.0000 52138.2734 -109056.2803 299.6394 -161194.5537 -108698.2575 299.4366 -103.9868 -76.1076 762913.8196 1.2540 1.3203 PRESSURE: 1950600 16.0619 -200.02 -76.187 -200.019 -40.6352 -140.998 -76.1872 -140.998 269.784 GPRESSURE: 1950600 14.127 -80.0205 -158.89 -200.495 51.7761 -17.3184 -7.2686 -83.1556 242.314 PRESSAVG: 1950600 77.4772 16.5517 16.3591 16.5517 -21.6176 1.36256 16.359 1.36263 -23.7184 GPRESSAVG: 1950600 77.8493 17.2681 17.4992 16.8746 -20.3651 1.50892 17.4627 1.39257 -25.3576 TIMING: 1950600 CPU: 6094.81, 0.0030921/step Wall: 6094.81, 0.0030921/step, 2.61918 hours remaining, 235.226562 MB of memory in use. ENERGY: 1950600 3929.4606 20557.1101 14468.9557 276.0833 -203006.4532 2759.3626 0.0000 0.0000 51816.0947 -109199.3862 297.7878 -161015.4809 -108840.8885 299.5108 81.7367 102.7391 762955.2133 10.7137 10.7089 PRESSURE: 1950800 -2.45261 -205.05 339.912 -205.049 6.71311 195.059 339.911 195.059 -147.123 GPRESSURE: 1950800 -9.34126 -218.402 339.399 -143.173 44.2263 236.192 279.329 158.138 -85.0457 PRESSAVG: 1950800 29.6055 21.6542 23.599 21.6542 -37.1451 57.2061 23.599 57.2061 8.51549 GPRESSAVG: 1950800 28.0646 19.001 21.8756 20.869 -35.8509 57.5824 23.7579 55.7571 9.28741 TIMING: 1950800 CPU: 6095.43, 0.00310709/step Wall: 6095.43, 0.00310709/step, 2.6317 hours remaining, 235.226562 MB of memory in use. ENERGY: 1950800 4041.1706 20568.1677 14474.0494 238.2944 -203289.3170 2754.7062 0.0000 0.0000 51957.3955 -109255.5332 298.5999 -161212.9287 -108904.7820 298.8137 -47.6207 -16.7202 764101.9112 0.3253 0.5004 PRESSURE: 1951000 -86.046 68.6502 -175.216 68.6503 82.1419 33.1323 -175.217 33.1317 -226.802 GPRESSURE: 1951000 -21.7058 -72.7098 -210.713 23.9461 126.855 70.2536 -144.137 -30.3009 -262.025 PRESSAVG: 1951000 -26.1197 -6.36773 -30.085 -6.36776 -7.50322 5.34843 -30.085 5.34841 -7.11198 GPRESSAVG: 1951000 -25.5411 -5.09328 -30.6564 -7.10114 -8.60469 5.66028 -30.8216 6.70679 -6.78084 TIMING: 1951000 CPU: 6096.05, 0.00309186/step Wall: 6096.05, 0.00309186/step, 2.61864 hours remaining, 235.226562 MB of memory in use. ENERGY: 1951000 3990.9119 20499.7004 14481.9034 243.9626 -203084.9392 2625.2131 0.0000 0.0000 51972.9842 -109270.2636 298.6895 -161243.2478 -108910.7181 298.8800 -76.9020 -52.2916 764157.7470 -13.5783 -13.6422 PRESSURE: 1951200 72.1638 1.67653 -309.018 1.67582 -118.161 -67.8179 -309.019 -67.8181 96.8513 GPRESSURE: 1951200 29.666 -60.7981 -369.187 51.4012 -96.3606 -172.836 -265.92 77.8411 195.346 PRESSAVG: 1951200 -49.3869 -5.91584 -32.7102 -5.91581 64.2765 3.92475 -32.7102 3.92477 3.99154 GPRESSAVG: 1951200 -49.4179 -5.88459 -33.133 -6.11595 64.5317 3.98352 -32.4788 3.08653 3.43195 TIMING: 1951200 CPU: 6096.67, 0.00308758/step Wall: 6096.67, 0.00308758/step, 2.61484 hours remaining, 235.226562 MB of memory in use. ENERGY: 1951200 3982.4842 20450.8430 14480.7811 235.7028 -203685.7899 2878.0984 0.0000 0.0000 52267.4438 -109390.4366 300.3817 -161657.8804 -109025.8286 298.9645 16.9513 42.8838 763878.2171 6.2937 6.1819 PRESSURE: 1951400 24.8784 -131.509 -70.4107 -131.508 74.5789 -217.122 -70.4108 -217.122 85.0641 GPRESSURE: 1951400 76.2168 -9.74873 28.7467 -91.1112 135.816 -185.294 -62.8808 -46.3365 57.5458 PRESSAVG: 1951400 -32.9548 -61.3391 -54.4978 -61.3391 17.9389 -25.1461 -54.4978 -25.1461 17.4212 GPRESSAVG: 1951400 -32.8581 -61.8562 -54.3219 -61.017 17.9122 -26.5694 -54.3811 -23.1649 17.7032 TIMING: 1951400 CPU: 6097.29, 0.00310035/step Wall: 6097.29, 0.00310035/step, 2.62548 hours remaining, 235.226562 MB of memory in use. ENERGY: 1951400 3954.4716 20508.6468 14429.0306 258.0210 -203576.6269 2978.3110 0.0000 0.0000 52207.4088 -109240.7370 300.0367 -161448.1458 -108876.5114 299.2282 61.5071 89.8594 765153.2500 0.8018 0.9191 PRESSURE: 1951600 155.192 71.202 187.905 71.2015 47.9895 82.1909 187.905 82.1903 36.1691 GPRESSURE: 1951600 133.052 65.548 237.958 60.3557 178.664 138.511 157.437 4.67463 10.4456 PRESSAVG: 1951600 60.7754 21.7686 11.1492 21.7686 -51.8229 -32.6898 11.1492 -32.6898 -3.37294 GPRESSAVG: 1951600 62.4731 23.0235 12.9781 21.4712 -52.3397 -32.7998 9.63887 -31.6651 -4.43608 TIMING: 1951600 CPU: 6097.91, 0.00308879/step Wall: 6097.91, 0.00308879/step, 2.61552 hours remaining, 235.226562 MB of memory in use. ENERGY: 1951600 4020.5758 20566.5328 14492.4471 223.6216 -203484.6482 3085.6697 0.0000 0.0000 51926.9514 -109168.8499 298.4249 -161095.8012 -108803.8094 299.3605 79.7834 107.3874 764501.6032 1.8599 1.8991 PRESSURE: 1951800 -92.5099 21.9459 -40.842 21.9466 212.901 169.279 -40.8433 169.28 -608.903 GPRESSURE: 1951800 -6.84363 61.3604 15.808 164.282 121.139 159.234 33.6442 71.6433 -510.725 PRESSAVG: 1951800 -13.2732 -5.02982 -2.92712 -5.02983 -8.54134 15.479 -2.92715 15.479 -23.7313 GPRESSAVG: 1951800 -14.0124 -5.09636 -5.07668 -3.34676 -8.75761 15.6901 -1.45501 13.2514 -22.9449 TIMING: 1951800 CPU: 6098.52, 0.00307931/step Wall: 6098.52, 0.00307931/step, 2.60732 hours remaining, 235.226562 MB of memory in use. ENERGY: 1951800 4058.0149 20646.5474 14481.0041 240.4955 -203246.4528 2800.0847 0.0000 0.0000 52047.4945 -108972.8117 299.1177 -161020.3063 -108607.5043 299.2694 -162.8376 -132.1430 764757.2996 -15.1820 -15.2383 PRESSURE: 1952000 88.7455 39.5129 -162.037 39.513 154.594 -47.8212 -162.037 -47.8213 -245.498 GPRESSURE: 1952000 179.861 49.6441 -210.249 -56.2331 181.074 -63.0963 -145.394 -86.8947 -273.136 PRESSAVG: 1952000 -51.9404 82.4357 -79.1144 82.4358 52.9642 -21.2476 -79.1143 -21.2476 1.04857 GPRESSAVG: 1952000 -52.7858 84.4245 -78.8783 81.3468 53.6421 -20.2286 -79.8847 -20.7568 1.43125 TIMING: 1952000 CPU: 6099.14, 0.00309864/step Wall: 6099.14, 0.00309864/step, 2.62351 hours remaining, 235.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1952000 3979.5957 20595.4624 14506.1971 245.2348 -203863.3034 3275.4229 0.0000 0.0000 52135.0974 -109126.2930 299.6211 -161261.3904 -108763.8713 299.7195 -0.7193 29.2664 761883.3405 0.6908 0.7625 PRESSURE: 1952200 -352.951 -7.20886 -71.9579 -7.20944 215.537 279.133 -71.9589 279.133 -106.147 GPRESSURE: 1952200 -314.767 -118.643 -36.8244 -37.4986 116.809 268.613 -28.5309 235.986 4.84607 PRESSAVG: 1952200 -39.2304 11.6931 -40.1747 11.693 41.4075 19.027 -40.1747 19.0269 -5.9844 GPRESSAVG: 1952200 -38.9316 7.70876 -40.3415 13.4433 41.0085 19.3194 -39.8096 19.3143 -5.98572 TIMING: 1952200 CPU: 6099.76, 0.00310926/step Wall: 6099.76, 0.00310926/step, 2.63234 hours remaining, 235.226562 MB of memory in use. ENERGY: 1952200 4030.2863 20560.6749 14494.7151 242.1482 -203539.6822 2790.5660 0.0000 0.0000 52159.7777 -109261.5140 299.7630 -161421.2918 -108906.3239 299.0988 -81.1869 -64.3704 763472.1545 -1.2691 -1.3030 LDB: ============= START OF LOAD BALANCING ============== 6112.24 LDB: ============== END OF LOAD BALANCING =============== 6112.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6112.24 LDB: ============= START OF LOAD BALANCING ============== 6112.55 LDB: Largest compute 7069 load 0.029196 is 15.0% of average load 0.195110 LDB: Average compute 0.004400 is 2.3% of average load 0.195110 LDB: TIME 6112.56 LOAD: AVG 0.19511 MAX 0.216876 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.742 MB LDB: TIME 6112.56 LOAD: AVG 0.19511 MAX 0.216876 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.742 MB LDB: TIME 6112.56 LOAD: AVG 0.19511 MAX 0.216876 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.742 MB LDB: ============== END OF LOAD BALANCING =============== 6112.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6112.56 PRESSURE: 1952400 149.362 -131.186 -77.4175 -131.186 -318.369 51.2252 -77.4173 51.2259 -361.712 GPRESSURE: 1952400 173.369 -143.521 -51.2593 -33.1594 -262.107 -16.3447 -134.062 32.6531 -366.193 PRESSAVG: 1952400 -6.8654 24.7803 33.5999 24.7803 14.6955 16.9423 33.6 16.9422 6.23925 GPRESSAVG: 1952400 -6.55384 26.4391 34.7858 23.7836 15.2787 14.9125 35.132 17.0779 5.42598 TIMING: 1952400 CPU: 6100.4, 0.00316695/step Wall: 6100.4, 0.00316695/step, 2.681 hours remaining, 233.742188 MB of memory in use. ENERGY: 1952400 4063.1501 20585.8558 14410.3637 254.0235 -203541.6209 2926.5143 0.0000 0.0000 52008.5998 -109293.1136 298.8941 -161301.7133 -108938.2272 298.9621 -176.9066 -151.6434 763476.8780 4.6898 4.7169 PRESSURE: 1952600 -111.007 51.1675 -191.871 51.1676 107.198 -189.292 -191.872 -189.292 203.936 GPRESSURE: 1952600 -76.0525 171.859 -205.358 14.0639 147.368 -167.522 -50.2321 -231.528 205.259 PRESSAVG: 1952600 -8.79339 -2.31261 -38.3658 -2.31255 18.0451 21.4033 -38.3657 21.4034 -24.1519 GPRESSAVG: 1952600 -7.3376 -0.840636 -37.9426 -1.8596 17.8609 22.7083 -39.1964 20.2878 -24.6015 TIMING: 1952600 CPU: 6101.02, 0.00309804/step Wall: 6101.02, 0.00309804/step, 2.62249 hours remaining, 233.742188 MB of memory in use. ENERGY: 1952600 4051.4557 20670.4025 14517.6884 229.4420 -203573.5173 2971.5478 0.0000 0.0000 52055.6711 -109077.3098 299.1647 -161132.9810 -108719.8392 299.4573 66.7090 92.1915 762257.4366 -4.9667 -4.6927 PRESSURE: 1952800 -14.5144 76.3448 -26.4033 76.3452 228.08 -63.6688 -26.4023 -63.6681 -24.0071 GPRESSURE: 1952800 -1.28439 129.567 -57.1876 75.1772 298.358 -76.3646 -7.76978 -73.4156 -23.3827 PRESSAVG: 1952800 -23.5626 29.2343 -63.67 29.2343 30.785 -6.66032 -63.6701 -6.66027 3.87303 GPRESSAVG: 1952800 -25.0207 29.2413 -63.7053 26.9849 31.461 -6.83858 -63.4181 -6.73205 4.54205 TIMING: 1952800 CPU: 6101.64, 0.00310332/step Wall: 6101.64, 0.00310331/step, 2.62678 hours remaining, 233.742188 MB of memory in use. ENERGY: 1952800 4010.2931 20488.5373 14424.9190 259.5726 -203329.5486 2866.2049 0.0000 0.0000 52378.7383 -108901.2833 301.0213 -161280.0217 -108534.6564 299.7963 63.1861 91.2303 763245.1882 3.6985 3.6608 PRESSURE: 1953000 -110.297 -62.5974 -39.9628 -62.597 -13.5723 200.845 -39.9622 200.845 143.879 GPRESSURE: 1953000 -9.2214 -6.02419 -26.546 -15.7793 -28.3137 157.079 -158.968 137.325 139.493 PRESSAVG: 1953000 -27.4386 11.2814 -4.48299 11.2814 18.15 10.3235 -4.48297 10.3234 -14.7672 GPRESSAVG: 1953000 -27.5126 8.31524 -5.59264 14.7131 17.2747 9.90535 -4.9561 11.1842 -13.9848 TIMING: 1953000 CPU: 6102.26, 0.00310411/step Wall: 6102.26, 0.00310411/step, 2.62728 hours remaining, 233.742188 MB of memory in use. ENERGY: 1953000 4054.1537 20375.3198 14528.7463 240.5609 -202856.9441 2557.8152 0.0000 0.0000 52120.2723 -108980.0758 299.5359 -161100.3481 -108619.1305 299.1987 6.6697 33.9860 763795.8139 -8.0186 -8.0742 PRESSURE: 1953200 124.579 -29.7305 61.1098 -29.7303 -127.208 -116 61.1096 -116.001 -133.886 GPRESSURE: 1953200 107.194 123.881 51.5795 -11.5618 -65.2936 99.9412 35.0785 -137.836 -101.157 PRESSAVG: 1953200 -27.0588 82.2464 -1.04858 82.2464 25.8568 -8.95088 -1.04861 -8.95096 37.9811 GPRESSAVG: 1953200 -26.9669 84.1114 0.324856 81.4687 26.5997 -7.45635 -0.540558 -9.1448 37.7907 TIMING: 1953200 CPU: 6102.88, 0.00311086/step Wall: 6102.88, 0.00311086/step, 2.63282 hours remaining, 233.742188 MB of memory in use. ENERGY: 1953200 3982.0972 20496.6350 14385.1867 241.4501 -202659.4630 2395.5894 0.0000 0.0000 52144.1573 -109014.3473 299.6732 -161158.5046 -108639.7407 299.1626 -45.5048 -19.7519 763931.3578 12.2597 12.4745 PRESSURE: 1953400 188.47 22.2244 -135.723 22.2234 77.4547 -125.043 -135.722 -125.043 244.095 GPRESSURE: 1953400 210.471 -21.6346 -114.791 11.8959 167.125 -165.444 -204.666 -55.0385 192.008 PRESSAVG: 1953400 34.3844 -11.3843 -18.967 -11.3843 -31.6119 -0.969972 -18.9671 -0.969976 -8.89768 GPRESSAVG: 1953400 34.5914 -12.0135 -18.9321 -13.612 -31.9075 -1.32276 -19.8754 -0.207228 -8.57832 TIMING: 1953400 CPU: 6103.5, 0.00311868/step Wall: 6103.5, 0.00311868/step, 2.63927 hours remaining, 233.742188 MB of memory in use. ENERGY: 1953400 3982.2257 20592.0105 14460.1633 242.7948 -203243.9418 2828.2415 0.0000 0.0000 52252.3315 -108886.1746 300.2949 -161138.5061 -108504.1513 300.0487 170.0063 189.8682 761183.5598 -2.0417 -1.9648 PRESSURE: 1953600 43.3994 -227.551 250.029 -227.551 113.769 100.332 250.029 100.332 -199.618 GPRESSURE: 1953600 62.7998 -188.852 282.294 -114.471 140.421 44.4411 348.231 192.071 -141.991 PRESSAVG: 1953600 -5.86361 -60.4561 -39.4394 -60.4561 -5.92375 -9.79768 -39.4394 -9.79765 -23.2244 GPRESSAVG: 1953600 -5.73866 -60.9735 -39.5236 -57.6739 -5.38432 -10.7816 -38.6031 -9.23833 -23.5919 TIMING: 1953600 CPU: 6104.13, 0.00312299/step Wall: 6104.13, 0.003123/step, 2.64275 hours remaining, 233.742188 MB of memory in use. ENERGY: 1953600 3970.1150 20531.1629 14461.2522 248.8597 -202979.5001 2507.1484 0.0000 0.0000 52222.0174 -109038.9444 300.1207 -161260.9619 -108687.3595 299.9566 -14.1499 20.4100 761982.3334 -11.6706 -11.5716 PRESSURE: 1953800 -217.1 -67.3261 -326.559 -67.3264 -222.723 95.745 -326.56 95.7456 42.6311 GPRESSURE: 1953800 -178.405 -45.2863 -319.974 -134.066 -147.236 66.4637 -278.301 188.429 23.5209 PRESSAVG: 1953800 0.548555 -17.2563 -1.08566 -17.2563 4.84632 60.0547 -1.0856 60.0548 -5.16824 GPRESSAVG: 1953800 0.415442 -15.6508 -0.640206 -20.3327 5.03917 60.8248 0.411599 60.7257 -5.09995 TIMING: 1953800 CPU: 6104.75, 0.00311049/step Wall: 6104.75, 0.00311049/step, 2.63199 hours remaining, 233.742188 MB of memory in use. ENERGY: 1953800 3980.5245 20536.3851 14490.5582 268.0167 -203105.3707 2428.0440 0.0000 0.0000 52292.1471 -109109.6952 300.5237 -161401.8423 -108738.8216 299.5320 -132.3975 -100.7068 762961.6171 0.0755 0.1182 PRESSURE: 1954000 -19.412 204.759 -55.9397 204.759 108.79 -156.778 -55.94 -156.779 -377.155 GPRESSURE: 1954000 -14.0791 182.43 12.4447 222.971 110.98 -116.895 -97.0763 -81.3691 -309.364 PRESSAVG: 1954000 12.5439 8.94245 25.1554 8.94238 -50.5809 66.1108 25.1554 66.1108 -14.5266 GPRESSAVG: 1954000 12.2105 8.20915 25.7192 10.883 -49.8796 67.8068 22.5061 64.6334 -15.129 TIMING: 1954000 CPU: 6105.38, 0.00313739/step Wall: 6105.38, 0.00313739/step, 2.65458 hours remaining, 233.742188 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: 1954000 3901.3944 20656.7940 14540.3619 266.1593 -202920.7745 2367.3911 0.0000 0.0000 52079.7368 -109108.9369 299.3030 -161188.6737 -108751.3552 299.8872 -95.9255 -70.8210 761560.4554 -17.5212 -17.5994 PRESSURE: 1954200 -45.5329 -115.379 -75.4705 -115.378 189.916 -313.458 -75.4706 -313.458 -104.152 GPRESSURE: 1954200 157.297 -190.971 -39.974 -78.7806 75.7043 -285.268 -80.0625 -295.871 -118.184 PRESSAVG: 1954200 27.4092 12.2185 51.6609 12.2185 14.9744 60.6442 51.6608 60.6443 -9.10229 GPRESSAVG: 1954200 28.0534 11.4113 49.9549 12.3607 13.7541 58.2209 53.0845 61.0737 -8.52724 TIMING: 1954200 CPU: 6106, 0.00312951/step Wall: 6106, 0.00312952/step, 2.64774 hours remaining, 233.742188 MB of memory in use. ENERGY: 1954200 3969.7008 20631.4938 14489.4609 234.9598 -202861.0106 2573.9295 0.0000 0.0000 51783.5123 -109177.9533 297.6006 -160961.4657 -108826.0289 299.5330 13.4106 38.2725 764097.8610 11.0938 11.0934 PRESSURE: 1954400 -4.81907 -81.1759 42.7175 -81.1764 31.1886 1.78334 42.7176 1.78414 530.997 GPRESSURE: 1954400 56.7485 -28.1829 58.8356 13.8378 47.8599 12.025 136.456 119.122 544.89 PRESSAVG: 1954400 -25.7628 47.9479 4.628 47.9479 -11.8413 16.5457 4.62803 16.5455 14.9222 GPRESSAVG: 1954400 -24.6678 47.7386 4.4137 47.4235 -11.6657 17.9107 4.3038 15.5269 13.889 TIMING: 1954400 CPU: 6106.63, 0.0031325/step Wall: 6106.63, 0.0031325/step, 2.65009 hours remaining, 233.742188 MB of memory in use. ENERGY: 1954400 4006.5534 20609.0855 14413.1340 278.2553 -203263.6512 2845.7031 0.0000 0.0000 51972.6373 -109138.2826 298.6875 -161110.9200 -108783.0322 299.3086 185.7890 216.4996 764105.9013 -7.5606 -7.4815 PRESSURE: 1954600 231.72 -51.7624 196.852 -51.763 98.9889 -4.63875 196.852 -4.63836 432.832 GPRESSURE: 1954600 254.891 -77.491 198.536 -43.7017 219.306 65.9186 238.863 -74.5255 385.069 PRESSAVG: 1954600 -33.8029 -4.03442 3.34837 -4.03449 59.6903 1.68166 3.34836 1.68163 2.39521 GPRESSAVG: 1954600 -34.6543 -3.83158 3.05502 -3.25658 60.1595 1.57848 3.16071 2.90378 3.357 TIMING: 1954600 CPU: 6107.26, 0.00313587/step Wall: 6107.26, 0.00313587/step, 2.65277 hours remaining, 233.742188 MB of memory in use. ENERGY: 1954600 3934.7592 20579.1497 14429.7959 259.4633 -203425.3660 3028.0502 0.0000 0.0000 52022.6452 -109171.5025 298.9749 -161194.1477 -108804.7691 299.1319 254.5136 286.4218 764108.3166 9.4276 9.6207 PRESSURE: 1954800 -103.105 -128.295 171.542 -128.295 -47.7799 17.9609 171.542 17.962 -199.845 GPRESSURE: 1954800 -72.9903 -5.89199 134.515 -154.052 -72.0747 -63.9553 183.567 -67.3445 -130.926 PRESSAVG: 1954800 -33.7072 16.2111 8.52759 16.2112 17.4597 61.7069 8.52759 61.7068 -15.6693 GPRESSAVG: 1954800 -33.9169 17.9427 9.16623 16.4414 17.1645 62.7916 7.95565 58.3869 -15.1558 TIMING: 1954800 CPU: 6107.88, 0.00311196/step Wall: 6107.88, 0.00311196/step, 2.63237 hours remaining, 233.742188 MB of memory in use. ENERGY: 1954800 3960.1731 20636.7979 14502.3689 246.3486 -202886.9287 2610.3562 0.0000 0.0000 51844.0125 -109086.8715 297.9483 -160930.8840 -108715.4483 298.8580 -116.9100 -91.9970 763380.8730 -10.6390 -10.6361 PRESSURE: 1955000 265.313 25.2146 -47.267 25.2147 25.8193 -134.985 -47.2679 -134.983 -481.176 GPRESSURE: 1955000 302.136 85.3623 -30.8862 48.6121 51.6549 -73.2295 35.7678 -172.713 -469.616 PRESSAVG: 1955000 -28.9799 0.538457 -45.9609 0.538501 38.3171 -27.5823 -45.9609 -27.5822 14.2904 GPRESSAVG: 1955000 -29.9746 -0.125706 -47.1178 -1.3536 38.392 -29.145 -46.0606 -24.2422 15.0401 TIMING: 1955000 CPU: 6108.5, 0.00311835/step Wall: 6108.5, 0.00311835/step, 2.6376 hours remaining, 233.742188 MB of memory in use. ENERGY: 1955000 4021.2810 20542.6020 14586.1811 265.7279 -202919.8591 2581.3288 0.0000 0.0000 52048.1777 -108874.5605 299.1216 -160922.7382 -108516.5181 299.2009 -63.3481 -38.6083 763098.8793 7.8759 7.8192 PRESSURE: 1955200 107.159 84.1683 192.864 84.169 34.7481 108.621 192.863 108.621 71.5136 GPRESSURE: 1955200 134.4 65.5975 226.66 -33.3068 29.4992 125.513 223.054 111.906 133.842 PRESSAVG: 1955200 -29.7994 38.2942 -39.4815 38.2942 39.971 9.32136 -39.4815 9.32133 19.1839 GPRESSAVG: 1955200 -28.65 39.9376 -38.4692 38.0693 40.9622 9.83104 -37.5649 6.82804 17.3392 TIMING: 1955200 CPU: 6109.13, 0.0031196/step Wall: 6109.13, 0.0031196/step, 2.63849 hours remaining, 233.742188 MB of memory in use. ENERGY: 1955200 3995.6960 20567.1326 14488.8218 245.0909 -203199.7704 2747.6311 0.0000 0.0000 52057.8066 -109097.5914 299.1769 -161155.3981 -108733.7393 299.7908 71.1401 99.2471 762901.7589 9.7852 9.8838 PRESSURE: 1955400 -58.0635 -57.5583 16.7804 -57.5585 -59.9758 -97.166 16.7808 -97.1662 -389.392 GPRESSURE: 1955400 -71.633 -93.0673 23.0912 -45.3399 3.77093 -94.454 -59.9375 -46.7927 -351.78 PRESSAVG: 1955400 10.6284 55.5274 35.8513 55.5274 13.3944 -2.59275 35.8513 -2.59274 9.90281 GPRESSAVG: 1955400 10.5367 54.8222 37.3086 57.1615 12.2572 -1.71019 34.1456 -2.67013 11.1365 TIMING: 1955400 CPU: 6109.75, 0.00310786/step Wall: 6109.75, 0.00310786/step, 2.62838 hours remaining, 233.742188 MB of memory in use. ENERGY: 1955400 3990.4381 20611.3941 14544.7622 247.0189 -203105.7792 2688.7272 0.0000 0.0000 51918.7473 -109104.6914 298.3778 -161023.4387 -108748.0916 299.1737 -169.1439 -139.8805 762285.9032 11.3085 11.3101 PRESSURE: 1955600 -133.692 188.485 110.659 188.485 79.7034 -270.651 110.659 -270.65 -434.799 GPRESSURE: 1955600 -63.6823 296.824 87.1243 107.074 117.671 -233.409 110.811 -186.383 -463.153 PRESSAVG: 1955600 -91.9627 -12.1513 6.93258 -12.1513 73.4979 -11.6595 6.93257 -11.6595 -6.3759 GPRESSAVG: 1955600 -92.7231 -9.62746 5.73853 -12.9975 74.0263 -12.8407 7.27981 -10.0985 -6.4348 TIMING: 1955600 CPU: 6110.37, 0.00310855/step Wall: 6110.37, 0.00310855/step, 2.6288 hours remaining, 233.742188 MB of memory in use. ENERGY: 1955600 3995.4616 20545.7928 14488.6763 244.5605 -203250.4342 2814.1876 0.0000 0.0000 51865.8251 -109295.9304 298.0736 -161161.7554 -108936.8481 299.3864 -162.9293 -136.3879 764932.4504 -8.2802 -8.3772 PRESSURE: 1955800 -195.072 2.48043 132.103 2.48045 -316.016 -29.3372 132.102 -29.337 -53.5673 GPRESSURE: 1955800 -146.695 4.42484 139.411 -91.8455 -272.514 -33.3263 143.814 46.2748 -64.5024 PRESSAVG: 1955800 -42.3002 20.9432 14.6422 20.9431 65.4123 3.39247 14.6422 3.39244 -16.7315 GPRESSAVG: 1955800 -41.4133 18.5266 13.7357 22.3886 64.8526 2.6191 14.6806 3.93335 -17.1569 TIMING: 1955800 CPU: 6110.99, 0.00311247/step Wall: 6110.99, 0.00311248/step, 2.63194 hours remaining, 233.742188 MB of memory in use. ENERGY: 1955800 4043.1802 20624.3221 14485.0437 262.5793 -203143.7926 2527.5111 0.0000 0.0000 52077.7384 -109123.4178 299.2915 -161201.1562 -108767.4015 299.5441 -188.2185 -161.2370 761816.0054 2.1269 2.0941 PRESSURE: 1956000 -8.3303 -134.704 -134.054 -134.704 -39.2224 -119.592 -134.055 -119.592 -217.572 GPRESSURE: 1956000 -12.4827 -248.753 -62.2292 -100.096 -28.8767 -44.0469 -197.729 -177.899 -130.931 PRESSAVG: 1956000 -41.0819 -15.9368 6.9543 -15.9367 19.2008 49.7268 6.9543 49.7269 -14.5605 GPRESSAVG: 1956000 -42.0303 -15.8501 7.45811 -19.528 19.4658 49.6096 6.82741 50.4787 -13.6476 TIMING: 1956000 CPU: 6111.62, 0.00311541/step Wall: 6111.62, 0.00311541/step, 2.63426 hours remaining, 233.742188 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: 1956000 4010.8944 20580.9764 14539.4935 237.7464 -202986.8038 2774.7348 0.0000 0.0000 51710.9351 -109132.0230 297.1835 -160842.9581 -108776.2718 298.8476 -88.3750 -57.4303 763149.2291 -12.1472 -12.0707 PRESSURE: 1956200 -96.3667 -51.3557 -66.8239 -51.3564 420.62 276.047 -66.8241 276.048 232.221 GPRESSURE: 1956200 2.36263 -75.2151 -60.967 -18.3435 440.91 206.089 -87.0989 297.937 188.474 PRESSAVG: 1956200 -85.8212 -7.23807 28.8943 -7.23811 70.1046 16.5233 28.8943 16.5234 11.926 GPRESSAVG: 1956200 -85.2402 -8.23933 28.2558 -4.5016 70.0487 17.3001 28.4487 14.7566 10.7665 TIMING: 1956200 CPU: 6112.24, 0.00311995/step Wall: 6112.24, 0.00311995/step, 2.63792 hours remaining, 233.742188 MB of memory in use. ENERGY: 1956200 4059.8374 20293.6231 14485.4428 254.6822 -203417.1143 2925.2963 0.0000 0.0000 52165.8892 -109232.3434 299.7981 -161398.2325 -108859.2434 299.1393 185.4915 210.5822 762271.7854 -1.2636 -1.4750 LDB: ============= START OF LOAD BALANCING ============== 6124.72 LDB: ============== END OF LOAD BALANCING =============== 6124.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6124.72 LDB: ============= START OF LOAD BALANCING ============== 6125.03 LDB: Largest compute 6998 load 0.028737 is 14.7% of average load 0.195064 LDB: Average compute 0.004406 is 2.3% of average load 0.195064 LDB: TIME 6125.04 LOAD: AVG 0.195064 MAX 0.21619 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.699 MB LDB: TIME 6125.04 LOAD: AVG 0.195064 MAX 0.21619 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.898 MB LDB: TIME 6125.04 LOAD: AVG 0.195064 MAX 0.21619 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.898 MB LDB: ============== END OF LOAD BALANCING =============== 6125.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6125.04 PRESSURE: 1956400 50.5019 192.599 -101.306 192.6 -270.779 -136.155 -101.306 -136.155 160.156 GPRESSURE: 1956400 33.9891 97.4155 -102.363 189.125 -191.369 -215.949 -20.5929 -131.186 183.665 PRESSAVG: 1956400 1.94368 4.29287 3.17786 4.29285 -25.8228 4.44847 3.17785 4.44852 13.3104 GPRESSAVG: 1956400 1.98628 4.21721 3.30502 2.25619 -26.2099 3.81456 5.43115 4.91153 13.4635 TIMING: 1956400 CPU: 6112.88, 0.00319313/step Wall: 6112.88, 0.00319313/step, 2.69961 hours remaining, 234.312500 MB of memory in use. ENERGY: 1956400 3981.4070 20595.3630 14508.0017 253.7100 -203438.8081 2751.5248 0.0000 0.0000 52088.7313 -109260.0702 299.3547 -161348.8015 -108901.3968 298.8064 -20.0402 8.7617 762755.8402 -3.5229 -3.5867 PRESSURE: 1956600 -161.623 -6.88356 -38.4735 -6.88295 -473.648 -140.108 -38.4745 -140.108 -42.8806 GPRESSURE: 1956600 -146.957 -157.387 -82.0192 28.5891 -370.016 -153.825 3.06335 -148.591 -72.7302 PRESSAVG: 1956600 3.21438 31.7359 14.4646 31.7359 -6.58638 7.82762 14.4646 7.82772 1.06793 GPRESSAVG: 1956600 3.76859 31.2754 16.1531 32.1753 -7.08382 10.6419 14.4059 7.76806 1.43359 TIMING: 1956600 CPU: 6113.5, 0.00309757/step Wall: 6113.5, 0.00309757/step, 2.61865 hours remaining, 234.515625 MB of memory in use. ENERGY: 1956600 4090.5515 20460.3392 14459.9608 255.0875 -203294.7750 2633.5898 0.0000 0.0000 52224.9693 -109170.2769 300.1376 -161395.2462 -108810.5783 299.5535 -226.0508 -196.5678 761903.2347 -0.7680 -0.6272 PRESSURE: 1956800 264.513 -200.628 93.6107 -200.628 297.318 -93.8091 93.6111 -93.8107 206.259 GPRESSURE: 1956800 276.681 -136.535 97.1722 -218.206 294.748 -34.7835 25.2435 -102.908 265.424 PRESSAVG: 1956800 -22.9069 52.1467 -44.0708 52.1467 6.80363 35.0254 -44.0708 35.0254 -3.99545 GPRESSAVG: 1956800 -23.2519 52.5912 -45.5587 51.2641 6.0175 33.6853 -45.4444 35.6024 -3.36837 TIMING: 1956800 CPU: 6114.12, 0.00310379/step Wall: 6114.12, 0.00310379/step, 2.62374 hours remaining, 234.515625 MB of memory in use. ENERGY: 1956800 3990.6967 20246.6706 14512.9987 235.8284 -203096.9283 2792.2482 0.0000 0.0000 52191.7598 -109126.7259 299.9468 -161318.4857 -108761.7250 299.9469 256.0297 278.9512 761002.3106 -6.6996 -6.8676 PRESSURE: 1957000 -21.7894 -80.3016 77.901 -80.3018 -14.4291 290.572 77.9012 290.571 -530.588 GPRESSURE: 1957000 28.6967 -4.92384 40.5377 -36.4948 14.4198 232.255 63.4801 327.476 -525.122 PRESSAVG: 1957000 -68.0469 23.8916 5.83191 23.8915 24.7547 -10.9297 5.83192 -10.9298 -8.93677 GPRESSAVG: 1957000 -68.9939 24.021 4.65363 24.6893 26.6033 -9.99998 5.44815 -10.7569 -9.28114 TIMING: 1957000 CPU: 6114.74, 0.00308924/step Wall: 6114.74, 0.00308924/step, 2.61127 hours remaining, 234.515625 MB of memory in use. ENERGY: 1957000 4040.0975 20620.9998 14499.9108 251.0005 -203003.4107 2525.2328 0.0000 0.0000 52166.1435 -108900.0258 299.7995 -161066.1692 -108537.0412 299.9104 -188.9356 -160.6685 762616.4837 -17.4096 -17.2239 PRESSURE: 1957200 -3.79296 -147.814 -232.145 -147.816 -75.9843 -40.0687 -232.144 -40.0693 -163.281 GPRESSURE: 1957200 14.8695 -55.3953 -278.416 -64.2752 -43.8471 -29.4023 -220.111 103.619 -156.487 PRESSAVG: 1957200 -20.339 43.8159 38.4698 43.8158 10.8614 10.2481 38.4698 10.2482 -15.1411 GPRESSAVG: 1957200 -19.3499 44.1628 39.9643 44.3909 9.79592 8.03043 38.2538 9.34147 -15.218 TIMING: 1957200 CPU: 6115.36, 0.00309838/step Wall: 6115.36, 0.00309838/step, 2.61882 hours remaining, 234.515625 MB of memory in use. ENERGY: 1957200 3983.9893 20607.5320 14542.5487 240.8103 -203046.7790 2545.5723 0.0000 0.0000 52120.1386 -109006.1878 299.5352 -161126.3264 -108648.1637 300.0531 -81.0193 -61.8215 762127.2380 -8.2062 -8.2573 PRESSURE: 1957400 -106.148 -107.179 -205.257 -107.178 197.519 -208.829 -205.257 -208.83 -185.492 GPRESSURE: 1957400 -120.303 -108.587 -106.125 -169.358 307.116 -208.509 -173.544 -221.462 -199.006 PRESSAVG: 1957400 29.1548 55.364 -5.33181 55.364 20.0945 -33.8801 -5.33178 -33.8801 26.8839 GPRESSAVG: 1957400 28.8228 55.2462 -6.51658 56.715 20.5633 -32.9633 -2.01879 -35.3204 26.3403 TIMING: 1957400 CPU: 6115.98, 0.00309797/step Wall: 6115.98, 0.00309797/step, 2.6183 hours remaining, 234.515625 MB of memory in use. ENERGY: 1957400 3980.8609 20543.5825 14507.2420 256.3261 -202900.1694 2626.5343 0.0000 0.0000 51737.4914 -109248.1321 297.3361 -160985.6235 -108883.6608 298.8533 -31.3735 -4.0642 762573.8475 25.3777 25.2422 PRESSURE: 1957600 -97.3776 55.7976 150.815 55.7975 503.023 -32.1449 150.815 -32.1442 -65.2573 GPRESSURE: 1957600 -13.1972 -87.4183 78.187 152.757 488.683 26.2648 173.103 2.69669 -45.96 PRESSAVG: 1957600 0.435517 32.6785 53.0046 32.6785 -15.8821 -18.9411 53.0046 -18.9411 2.05604 GPRESSAVG: 1957600 0.0367032 33.4437 52.4233 33.0019 -15.4053 -18.5494 50.8063 -17.2143 2.10897 TIMING: 1957600 CPU: 6116.6, 0.00312323/step Wall: 6116.6, 0.00312323/step, 2.63948 hours remaining, 234.515625 MB of memory in use. ENERGY: 1957600 3893.2609 20506.5868 14521.3076 248.2587 -203306.2613 2884.9535 0.0000 0.0000 51874.5761 -109377.3176 298.1239 -161251.8937 -109011.7492 298.1996 113.4626 143.1753 762086.2030 -4.4635 -4.4199 PRESSURE: 1957800 243.327 129.787 -193.021 129.786 -119.095 27.7825 -193.022 27.7813 -124.676 GPRESSURE: 1957800 209.986 43.6895 -219.098 98.2194 -119.103 18.0226 -223.457 -76.5674 -20.5591 PRESSAVG: 1957800 -55.0572 73.8776 35.0954 73.8776 45.3866 46.8744 35.0955 46.8743 -4.19695 GPRESSAVG: 1957800 -53.8917 73.3978 35.5805 72.6169 44.5296 46.7123 34.6952 47.6405 -4.21128 TIMING: 1957800 CPU: 6117.23, 0.00312987/step Wall: 6117.23, 0.00312987/step, 2.64492 hours remaining, 234.515625 MB of memory in use. ENERGY: 1957800 3975.4852 20600.7783 14482.5812 268.9766 -203138.5040 2653.6896 0.0000 0.0000 51794.4369 -109362.5561 297.6633 -161156.9930 -109004.4585 298.5505 -0.1478 23.4414 762702.5430 -4.6225 -4.5245 PRESSURE: 1958000 -187.556 1.52778 118.974 1.52731 371.075 -487.819 118.974 -487.819 22.5587 GPRESSURE: 1958000 -267.302 -46.7594 123.542 -87.7936 500.891 -484.366 66.2775 -396.492 58.9388 PRESSAVG: 1958000 -16.2525 44.8536 25.0667 44.8536 -11.9193 -29.934 25.0666 -29.934 19.9818 GPRESSAVG: 1958000 -17.0135 46.7 26.863 42.1291 -11.5413 -29.5688 23.2508 -32.6572 20.3919 TIMING: 1958000 CPU: 6117.85, 0.00310195/step Wall: 6117.85, 0.00310195/step, 2.62115 hours remaining, 234.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1958000 3934.4227 20589.6765 14543.1920 247.0181 -203598.2529 2957.9687 0.0000 0.0000 52029.7031 -109296.2719 299.0154 -161325.9750 -108932.2281 298.8695 68.6926 97.5090 761688.4780 -2.7300 -2.7210 PRESSURE: 1958200 174.447 -50.9355 -7.72039 -50.9361 119.113 7.23185 -7.71977 7.23233 -175.396 GPRESSURE: 1958200 208.045 -18.7873 -18.3625 -78.8468 141.961 64.7641 7.68542 -90.0249 -150.381 PRESSAVG: 1958200 8.06017 -0.133111 -19.7914 -0.13323 15.3352 4.98751 -19.7913 4.98755 6.88111 GPRESSAVG: 1958200 7.54427 -0.526619 -21.7371 2.66191 15.9492 5.14 -18.3408 6.80472 6.46384 TIMING: 1958200 CPU: 6118.47, 0.00311451/step Wall: 6118.47, 0.00311451/step, 2.63159 hours remaining, 234.515625 MB of memory in use. ENERGY: 1958200 3951.8577 20610.9024 14581.8689 265.8633 -203443.0750 2886.4414 0.0000 0.0000 52044.6246 -109101.5168 299.1012 -161146.1414 -108736.2395 298.6902 39.3879 66.5416 761924.5280 10.0922 9.9858 PRESSURE: 1958400 155.649 -89.8012 -118.486 -89.8007 91.6093 166.152 -118.487 166.151 120.297 GPRESSURE: 1958400 207.066 23.7468 -45.2838 -163.88 39.7154 189.706 -181.29 43.9742 203.999 PRESSAVG: 1958400 -26.2459 25.7996 -58.1046 25.7996 94.5626 -58.7133 -58.1047 -58.7133 -6.78025 GPRESSAVG: 1958400 -25.4551 23.9928 -57.4541 26.2737 93.5851 -60.7117 -57.9584 -59.6191 -6.14776 TIMING: 1958400 CPU: 6119.1, 0.00312612/step Wall: 6119.1, 0.00312612/step, 2.64122 hours remaining, 234.515625 MB of memory in use. ENERGY: 1958400 3996.3744 20669.6864 14470.0176 245.5387 -203601.8203 2856.5421 0.0000 0.0000 52260.8225 -109102.8387 300.3437 -161363.6612 -108751.9923 299.0622 122.5187 150.2599 761632.7957 20.5122 20.6608 PRESSURE: 1958600 -551.78 -97.0918 113.517 -97.0917 -100.853 -119.03 113.517 -119.029 -11.6329 GPRESSURE: 1958600 -472.008 -127.342 53.614 -48.4352 -106.562 -159.709 -33.5104 -46.0087 -4.26962 PRESSAVG: 1958600 -42.7759 1.64903 -2.01822 1.64906 26.318 -1.96617 -2.01819 -1.96623 -26.4618 GPRESSAVG: 1958600 -43.226 2.21197 -1.76754 2.27135 26.8739 -1.03338 -5.3592 -1.73671 -26.6258 TIMING: 1958600 CPU: 6119.72, 0.00312943/step Wall: 6119.72, 0.00312943/step, 2.64385 hours remaining, 234.515625 MB of memory in use. ENERGY: 1958600 3964.8428 20556.7594 14487.6694 239.1905 -202753.2040 2364.8394 0.0000 0.0000 51908.3466 -109231.5558 298.3180 -161139.9024 -108868.5412 299.0987 -221.4220 -194.2797 765583.8209 -14.3066 -14.3260 PRESSURE: 1958800 97.7275 276.063 -164.317 276.064 129.562 273.068 -164.318 273.068 48.4614 GPRESSURE: 1958800 95.9767 245.404 -174.769 102.451 173.339 218.5 -119.96 223.816 95.1349 PRESSAVG: 1958800 -6.81665 36.8341 -11.6703 36.8341 34.6973 16.9672 -11.6704 16.9671 12.2237 GPRESSAVG: 1958800 -7.03747 37.434 -11.9862 34.8187 34.4266 17.1829 -9.84411 16.102 12.2849 TIMING: 1958800 CPU: 6120.35, 0.00313117/step Wall: 6120.35, 0.00313117/step, 2.64514 hours remaining, 234.515625 MB of memory in use. ENERGY: 1958800 4031.6799 20453.8979 14515.4005 254.1557 -203628.5451 2929.7409 0.0000 0.0000 52224.2944 -109219.3757 300.1337 -161443.6701 -108863.5117 298.6789 91.9170 121.4834 762604.9216 13.3681 13.2247 PRESSURE: 1959000 -360.113 -133.634 22.1035 -133.634 160.28 -128.495 22.1044 -128.496 -4.00685 GPRESSURE: 1959000 -428.193 -130.396 86.2134 -162.404 344.881 -213.37 -27.8115 -53.999 -54.9497 PRESSAVG: 1959000 -85.0505 20.0698 6.53022 20.0698 64.5888 49.9407 6.53025 49.9408 -0.226548 GPRESSAVG: 1959000 -84.7127 19.9416 7.69721 21.9679 65.3321 49.7691 6.14374 51.6576 -1.02409 TIMING: 1959000 CPU: 6120.97, 0.00312603/step Wall: 6120.97, 0.00312603/step, 2.64062 hours remaining, 234.515625 MB of memory in use. ENERGY: 1959000 4022.8845 20536.1531 14486.8205 255.5786 -202897.4106 2397.7765 0.0000 0.0000 52183.2197 -109014.9777 299.8977 -161198.1974 -108647.6197 299.4465 -67.9466 -46.0873 762645.5926 -6.8961 -6.8016 PRESSURE: 1959200 60.6656 -39.0768 135.655 -39.0772 215.349 -39.7537 135.655 -39.7539 131.855 GPRESSURE: 1959200 113.651 -15.3075 70.9267 -89.3862 232.492 -41.3885 158.859 -121.929 163.844 PRESSAVG: 1959200 -52.3599 5.83491 -22.9246 5.83495 31.8749 -58.5121 -22.9245 -58.5121 -6.06791 GPRESSAVG: 1959200 -53.5308 3.53186 -24.8937 6.91406 32.845 -59.7422 -20.1432 -59.4613 -5.47237 TIMING: 1959200 CPU: 6121.6, 0.00312095/step Wall: 6121.6, 0.00312095/step, 2.63616 hours remaining, 234.515625 MB of memory in use. ENERGY: 1959200 4011.3327 20521.3957 14505.4261 238.7825 -202727.9733 2591.9388 0.0000 0.0000 51937.1587 -108921.9388 298.4836 -160859.0975 -108552.9070 299.3257 135.9566 169.9955 763919.3641 -8.8510 -8.7194 PRESSURE: 1959400 -407.621 -55.5244 7.26196 -55.5243 -72.9631 68.3757 7.2619 68.377 -434.839 GPRESSURE: 1959400 -366.205 37.7417 54.2414 -64.5274 -52.0048 70.892 -94.6515 161.034 -388.54 PRESSAVG: 1959400 7.36855 6.66487 -50.3395 6.66488 -26.2061 33.1091 -50.3396 33.109 0.459736 GPRESSAVG: 1959400 6.4459 7.09258 -50.0959 6.83462 -26.7407 32.6043 -52.4506 35.3027 2.08759 TIMING: 1959400 CPU: 6122.22, 0.00312605/step Wall: 6122.22, 0.00312605/step, 2.6403 hours remaining, 234.515625 MB of memory in use. ENERGY: 1959400 4021.6735 20393.3442 14462.5324 250.0390 -202930.6041 2333.5597 0.0000 0.0000 52499.8361 -108969.6193 301.7173 -161469.4554 -108601.9905 299.4680 -305.1411 -268.9166 764346.9846 -6.1259 -6.0691 PRESSURE: 1959600 45.4565 -37.0893 -372.209 -37.0901 402.45 210.124 -372.209 210.124 578.801 GPRESSURE: 1959600 78.285 2.61099 -258.202 -24.1813 449.443 164.497 -343.249 206.866 573.429 PRESSAVG: 1959600 -67.3189 -28.5664 0.105972 -28.5663 51.3276 15.9667 0.105988 15.9666 -2.51679 GPRESSAVG: 1959600 -66.5108 -28.3608 0.117814 -30.5206 50.987 18.838 -0.0414282 13.8258 -3.36431 TIMING: 1959600 CPU: 6122.84, 0.00310835/step Wall: 6122.84, 0.00310835/step, 2.62517 hours remaining, 234.515625 MB of memory in use. ENERGY: 1959600 3973.1890 20616.0490 14531.5546 251.9788 -203766.8167 3204.3433 0.0000 0.0000 52078.3355 -109111.3664 299.2949 -161189.7020 -108759.7936 299.4429 342.2358 367.0525 762269.9450 -6.1694 -6.2960 PRESSURE: 1959800 -231.954 159.035 -82.9251 159.035 -39.5116 -29.4502 -82.9247 -29.4509 -111.011 GPRESSURE: 1959800 -195.869 135.81 3.07269 136.618 -36.9137 63.5775 -147.162 15.0839 -68.1291 PRESSAVG: 1959800 15.6096 11.4562 -17.2282 11.4562 20.4059 25.911 -17.2282 25.911 0.619053 GPRESSAVG: 1959800 16.439 12.9215 -15.8848 10.2341 21.541 25.4768 -15.4399 25.1906 -1.28602 TIMING: 1959800 CPU: 6123.47, 0.00311172/step Wall: 6123.47, 0.00311172/step, 2.62785 hours remaining, 234.515625 MB of memory in use. ENERGY: 1959800 4047.4545 20468.8311 14487.4415 238.9762 -203317.6094 2708.2076 0.0000 0.0000 52174.4608 -109192.2377 299.8473 -161366.6986 -108816.9492 299.4820 -127.4922 -100.3038 762839.4944 12.2115 12.2313 PRESSURE: 1960000 -117.669 -67.6252 52.5096 -67.625 -37.5089 -15.9467 52.5094 -15.9475 -65.0005 GPRESSURE: 1960000 -124.627 -2.68037 44.3703 39.2626 60.6202 -77.0304 57.8043 -295.612 -56.4014 PRESSAVG: 1960000 -34.754 28.3815 77.5645 28.3815 57.7229 30.7821 77.5645 30.7821 -16.3493 GPRESSAVG: 1960000 -34.0052 26.8514 77.8184 29.5413 56.2649 29.3272 75.3998 30.7436 -15.0855 TIMING: 1960000 CPU: 6124.09, 0.00311892/step Wall: 6124.09, 0.00311892/step, 2.63375 hours remaining, 234.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1960000 4022.4795 20556.8908 14426.2717 258.2127 -203291.6441 2671.6802 0.0000 0.0000 52149.8592 -109206.2499 299.7060 -161356.1091 -108840.7053 299.2163 -73.3928 -40.1360 763347.4404 2.2065 2.3914 PRESSURE: 1960200 -312.714 170.439 -16.2421 170.439 -141.269 42.2824 -16.2414 42.2815 258.019 GPRESSURE: 1960200 -138.633 182.027 -18.0225 172.697 -137.852 43.503 62.3108 66.3557 171.311 PRESSAVG: 1960200 -18.1388 -16.3128 -13.4695 -16.3128 -8.52421 13.5154 -13.4695 13.5155 25.624 GPRESSAVG: 1960200 -18.2916 -19.4901 -14.1273 -15.0608 -8.69633 14.428 -12.5765 15.4232 25.48 TIMING: 1960200 CPU: 6124.71, 0.00310783/step Wall: 6124.71, 0.00310783/step, 2.62421 hours remaining, 234.515625 MB of memory in use. ENERGY: 1960200 3924.8157 20422.0269 14470.6661 250.6926 -203249.8825 2827.1690 0.0000 0.0000 52042.7654 -109311.7469 299.0905 -161354.5123 -108949.9645 298.8699 -65.3213 -35.0581 763961.3369 -0.3463 -0.5026 LDB: ============= START OF LOAD BALANCING ============== 6137.19 LDB: ============== END OF LOAD BALANCING =============== 6137.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6137.19 LDB: ============= START OF LOAD BALANCING ============== 6137.5 LDB: Largest compute 7007 load 0.030875 is 15.8% of average load 0.195043 LDB: Average compute 0.004439 is 2.3% of average load 0.195043 LDB: TIME 6137.51 LOAD: AVG 0.195043 MAX 0.21615 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.445 MB LDB: TIME 6137.51 LOAD: AVG 0.195043 MAX 0.21615 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.648 MB LDB: TIME 6137.51 LOAD: AVG 0.195043 MAX 0.21615 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.648 MB LDB: ============== END OF LOAD BALANCING =============== 6137.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6137.51 PRESSURE: 1960400 -214.384 44.6886 143.916 44.6883 34.9217 -283.05 143.915 -283.049 371.14 GPRESSURE: 1960400 -103.369 168.621 167.101 29.8681 43.9476 -345.16 48.8359 -251.23 335.694 PRESSAVG: 1960400 -18.9806 49.0398 7.77401 49.0397 43.4943 -4.37735 7.77402 -4.37732 -8.84823 GPRESSAVG: 1960400 -18.2578 52.9651 8.08512 47.0716 43.246 -4.0851 7.73297 -5.48448 -8.77561 TIMING: 1960400 CPU: 6125.35, 0.00318254/step Wall: 6125.35, 0.00318254/step, 2.68713 hours remaining, 234.253906 MB of memory in use. ENERGY: 1960400 3987.1221 20553.9222 14493.1989 244.0408 -203542.9737 3092.3135 0.0000 0.0000 51882.8167 -109289.5595 298.1713 -161172.3762 -108930.2123 298.7477 63.8928 92.0911 762059.0861 5.2218 5.4042 PRESSURE: 1960600 -240.726 -32.0722 67.2108 -32.0733 -127.348 -189.967 67.211 -189.967 -435.058 GPRESSURE: 1960600 -237.265 52.2362 55.2995 -40.613 -94.3725 -190.043 46.9111 -278.346 -383.954 PRESSAVG: 1960600 17.5684 -9.75786 19.6105 -9.75786 -8.45481 -23.6069 19.6105 -23.6068 -15.5925 GPRESSAVG: 1960600 16.52 -8.2117 18.0163 -5.66687 -7.92167 -24.9032 19.4423 -22.9318 -14.9309 TIMING: 1960600 CPU: 6125.97, 0.00312787/step Wall: 6125.97, 0.00312787/step, 2.64079 hours remaining, 234.253906 MB of memory in use. ENERGY: 1960600 3906.9847 20528.0949 14449.1148 241.1510 -202953.5025 2568.2496 0.0000 0.0000 52011.6169 -109248.2906 298.9115 -161259.9075 -108898.7469 299.3461 -267.7108 -238.5304 762979.3096 -2.1596 -2.1109 PRESSURE: 1960800 -293.952 201.768 -106.112 201.768 -171.697 -223.862 -106.112 -223.862 -121.537 GPRESSURE: 1960800 -248.676 205.132 -28.1946 141.357 -53.9334 -256.899 -149.298 -249.423 -175.146 PRESSAVG: 1960800 -28.6976 10.0131 -58.3216 10.0131 59.8288 -51.8711 -58.3216 -51.871 -0.0966591 GPRESSAVG: 1960800 -28.3295 8.38365 -56.5273 5.84139 60.6677 -51.2809 -58.4638 -52.4878 -1.00894 TIMING: 1960800 CPU: 6126.6, 0.0031214/step Wall: 6126.6, 0.0031214/step, 2.63516 hours remaining, 234.253906 MB of memory in use. ENERGY: 1960800 3966.9555 20415.2727 14438.9886 251.2373 -202953.6269 2709.5013 0.0000 0.0000 51956.3660 -109215.3055 298.5939 -161171.6715 -108852.6616 299.3050 -195.7287 -159.2517 763421.2956 10.3449 10.4431 PRESSURE: 1961000 -199.946 -14.0817 -183.314 -14.0819 -340.918 116.706 -183.314 116.707 -97.4632 GPRESSURE: 1961000 -280.716 8.97958 -224.09 -138.026 -185.073 117.471 -191.827 112.869 -97.7611 PRESSAVG: 1961000 -23.0131 18.4315 -29.3889 18.4315 53.3321 -5.40845 -29.3889 -5.40845 12.4618 GPRESSAVG: 1961000 -23.4699 18.2268 -30.2345 18.849 53.6693 -5.30791 -28.9131 -5.21089 12.8299 TIMING: 1961000 CPU: 6127.22, 0.00313272/step Wall: 6127.22, 0.00313272/step, 2.64454 hours remaining, 234.253906 MB of memory in use. ENERGY: 1961000 3973.1221 20204.8007 14429.8300 235.6712 -202847.0852 2448.5543 0.0000 0.0000 52094.4522 -109460.6547 299.3875 -161555.1069 -109094.5129 298.9071 -212.7757 -187.8499 763284.8795 14.2603 14.3431 PRESSURE: 1961200 -47.3099 -46.9686 -173.283 -46.9678 -169.906 10.0213 -173.282 10.021 0.243959 GPRESSURE: 1961200 -33.0144 84.3376 -147.541 -38.215 -147.794 103.91 -121.875 -23.2089 37.1259 PRESSAVG: 1961200 -39.6983 -4.49237 -11.2026 -4.49242 21.4992 -32.4242 -11.2025 -32.4242 -9.515 GPRESSAVG: 1961200 -38.5955 -4.56074 -10.9509 -3.11483 19.703 -30.9918 -11.5327 -33.9331 -8.9412 TIMING: 1961200 CPU: 6127.85, 0.0031144/step Wall: 6127.85, 0.0031144/step, 2.6289 hours remaining, 234.253906 MB of memory in use. ENERGY: 1961200 4028.5715 20273.6700 14548.7810 255.1212 -202868.9637 2498.3682 0.0000 0.0000 51837.5271 -109426.9247 297.9110 -161264.4519 -109060.8181 298.2102 -72.3241 -47.8943 761121.1388 -9.2381 -9.2779 PRESSURE: 1961400 -372.412 -48.8865 155.011 -48.886 -121.259 239.35 155.011 239.35 -202.567 GPRESSURE: 1961400 -300.308 -63.9451 137.596 1.79002 -182.935 252.99 159.889 153.276 -136.312 PRESSAVG: 1961400 5.33937 -20.2496 -78.0145 -20.2496 3.59981 13.0322 -78.0144 13.0322 2.19425 GPRESSAVG: 1961400 4.77143 -20.4728 -76.5867 -19.9059 4.30481 14.4787 -78.7424 12.688 1.90341 TIMING: 1961400 CPU: 6128.47, 0.00310666/step Wall: 6128.47, 0.00310666/step, 2.62219 hours remaining, 234.253906 MB of memory in use. ENERGY: 1961400 4040.7669 20465.1050 14389.3849 226.5711 -203404.6323 2808.0615 0.0000 0.0000 52217.9741 -109256.7687 300.0974 -161474.7428 -108902.2809 298.7755 -232.0794 -206.5184 762742.6497 3.7111 3.6599 PRESSURE: 1961600 -260.807 178.967 -199.471 178.967 18.8507 69.2684 -199.471 69.2689 91.869 GPRESSURE: 1961600 -166.529 222.547 -169.048 130.107 85.4082 53.3223 -117.573 82.3374 21.1877 PRESSAVG: 1961600 -6.21169 21.2571 -50.5973 21.257 5.43803 33.207 -50.5973 33.2071 -0.902901 GPRESSAVG: 1961600 -5.89153 21.8803 -50.0269 19.6057 4.61474 31.9574 -50.3048 34.1015 -0.329678 TIMING: 1961600 CPU: 6129.09, 0.00310612/step Wall: 6129.09, 0.00310612/step, 2.62157 hours remaining, 234.253906 MB of memory in use. ENERGY: 1961600 3990.1216 20521.1174 14455.6698 237.7581 -203110.2023 2803.1408 0.0000 0.0000 52113.4083 -108988.9862 299.4965 -161102.3946 -108631.9912 299.4549 -50.0291 -19.9777 762773.6738 -0.5589 -0.5355 PRESSURE: 1961800 -543.303 326.28 -15.9275 326.28 71.2133 68.7061 -15.9282 68.7066 4.07589 GPRESSURE: 1961800 -506.418 296.919 -68.5342 300.677 134.75 12.4336 -170.708 104.327 -19.9305 PRESSAVG: 1961800 -52.3992 16.2309 -84.5714 16.2308 19.1567 3.53752 -84.5714 3.53744 0.0417073 GPRESSAVG: 1961800 -53.7237 15.3648 -87.4705 17.2425 20.3465 3.1834 -82.9032 3.51169 0.0458632 TIMING: 1961800 CPU: 6129.72, 0.00312935/step Wall: 6129.72, 0.00312935/step, 2.641 hours remaining, 234.253906 MB of memory in use. ENERGY: 1961800 3995.7929 20596.1992 14491.7968 251.9797 -203162.2547 2906.5274 0.0000 0.0000 52214.5236 -108705.4351 300.0776 -160919.9587 -108348.8142 300.0327 -156.0048 -130.5329 762414.0695 -11.0669 -11.1104 PRESSURE: 1962000 -499.929 147.522 33.0946 147.522 21.027 -140.459 33.0955 -140.459 100.046 GPRESSURE: 1962000 -375.597 129.239 70.7499 195.408 -13.2936 -203.985 93.6655 -143.399 80.7693 PRESSAVG: 1962000 -63.5603 49.3434 -24.9881 49.3434 51.6055 -27.2154 -24.9881 -27.2155 8.54089 GPRESSAVG: 1962000 -63.063 50.0049 -23.3215 49.1128 51.726 -28.1078 -27.7715 -25.6415 8.37307 TIMING: 1962000 CPU: 6130.34, 0.0031234/step Wall: 6130.34, 0.0031234/step, 2.6358 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1962000 4010.8442 20503.9287 14539.6454 246.1465 -203138.8682 2901.6801 0.0000 0.0000 51985.7124 -108950.9110 298.7626 -160936.6233 -108578.1265 299.5562 -126.2855 -102.7070 763457.8539 -1.1380 -0.9880 PRESSURE: 1962200 68.6718 -186.097 146.001 -186.097 191.062 67.9908 146 67.9917 -15.0403 GPRESSURE: 1962200 70.2104 -153.781 115.671 -213.803 213.385 121.286 93.5255 18.3272 54.8786 PRESSAVG: 1962200 5.97747 47.099 -48.7202 47.0991 8.57131 27.8992 -48.7202 27.8991 -1.42395 GPRESSAVG: 1962200 7.17239 47.8088 -47.9857 48.5132 7.50473 27.6681 -45.9094 27.7372 -1.66304 TIMING: 1962200 CPU: 6130.96, 0.00310122/step Wall: 6130.96, 0.00310122/step, 2.61691 hours remaining, 234.253906 MB of memory in use. ENERGY: 1962200 3944.5508 20677.8629 14436.8630 243.4873 -203197.5883 2716.2829 0.0000 0.0000 51968.4947 -109210.0467 298.6637 -161178.5414 -108853.5195 299.2712 81.5646 112.8248 762904.4752 4.3749 4.3380 PRESSURE: 1962400 -188.672 -41.6473 -4.05969 -41.648 77.4892 183.826 -4.05847 183.825 -86.7513 GPRESSURE: 1962400 -98.8235 62.3561 20.9248 -124.172 71.4167 245.151 18.5502 201.267 -69.942 PRESSAVG: 1962400 -46.7735 -23.8366 -8.27753 -23.8366 26.1821 64.2151 -8.27754 64.2151 -11.2834 GPRESSAVG: 1962400 -46.8115 -26.0987 -11.0765 -24.6185 26.3402 63.4699 -10.3619 64.5863 -10.8402 TIMING: 1962400 CPU: 6131.58, 0.0031157/step Wall: 6131.58, 0.00311569/step, 2.62895 hours remaining, 234.253906 MB of memory in use. ENERGY: 1962400 3962.6475 20331.0025 14524.3647 262.9960 -203040.8393 2805.3073 0.0000 0.0000 51846.3045 -109308.2168 297.9614 -161154.5213 -108951.0911 298.9377 -65.9781 -32.4496 763666.6981 -10.6250 -10.4372 PRESSURE: 1962600 -405.596 298.291 43.3003 298.291 -255.383 -66.3066 43.3002 -66.3056 -26.1328 GPRESSURE: 1962600 -359.759 139.91 -5.05756 333.455 -188.875 -60.571 49.8827 -2.25353 -61.2901 PRESSAVG: 1962600 -27.4242 32.444 -25.6392 32.444 39.9951 15.9087 -25.6392 15.9086 7.99555 GPRESSAVG: 1962600 -28.2143 34.7741 -24.1407 31.1374 41.0228 16.4045 -23.861 16.8513 7.62389 TIMING: 1962600 CPU: 6132.21, 0.00310587/step Wall: 6132.21, 0.00310587/step, 2.62049 hours remaining, 234.253906 MB of memory in use. ENERGY: 1962600 3989.5258 20359.3347 14482.7769 250.7529 -202766.1121 2403.2439 0.0000 0.0000 52072.5847 -109207.8931 299.2619 -161280.4778 -108845.0087 298.7929 -229.0374 -203.3079 764498.9345 6.8555 6.8108 PRESSURE: 1962800 96.2714 -57.1059 -61.5461 -57.1052 81.9986 179.934 -61.5461 179.933 -52.1302 GPRESSURE: 1962800 171.709 71.5809 -40.0731 -0.873461 121.861 181.253 -34.9941 163.673 -85.4913 PRESSAVG: 1962800 8.25383 25.277 -42.0614 25.277 -29.7044 34.456 -42.0614 34.456 -14.6163 GPRESSAVG: 1962800 9.86109 25.9234 -42.5713 26.4256 -31.5208 36.0105 -42.7029 33.1696 -13.7874 TIMING: 1962800 CPU: 6132.83, 0.00311705/step Wall: 6132.83, 0.00311705/step, 2.62975 hours remaining, 234.253906 MB of memory in use. ENERGY: 1962800 3991.5238 20442.3483 14449.8154 270.6343 -203189.1672 2820.7898 0.0000 0.0000 51990.7756 -109223.2799 298.7917 -161214.0555 -108870.1954 298.4913 42.0466 69.3597 763989.8269 -12.0223 -11.8157 PRESSURE: 1963000 266.381 -107.742 -270.724 -107.742 -152.095 -85.953 -270.724 -85.9526 -133.812 GPRESSURE: 1963000 269.826 -125.132 -326.252 -165.217 -115.802 -20.8259 -219.821 -112.071 -83.4648 PRESSAVG: 1963000 20.1701 40.7166 4.70673 40.7167 -20.7394 -21.6114 4.70664 -21.6113 17.0746 GPRESSAVG: 1963000 19.2982 39.6808 4.04097 39.3094 -19.1597 -21.8934 5.51469 -22.6029 16.5585 TIMING: 1963000 CPU: 6133.45, 0.00313109/step Wall: 6133.45, 0.00313109/step, 2.64143 hours remaining, 234.253906 MB of memory in use. ENERGY: 1963000 3929.8759 20535.0385 14367.9806 238.3180 -203672.7157 3106.6559 0.0000 0.0000 52119.4399 -109375.4069 299.5311 -161494.8468 -109020.3130 298.8128 -6.5088 23.5197 761492.6608 5.5017 5.5657 PRESSURE: 1963200 24.417 123.207 -16.6831 123.206 59.6932 104.792 -16.6832 104.793 156.803 GPRESSURE: 1963200 59.1313 226.479 -15.6306 92.1083 42.6165 93.6496 -87.7793 87.9201 206.016 PRESSAVG: 1963200 5.91669 68.7905 -37.9215 68.7906 4.49275 18.8911 -37.9215 18.8911 31.3043 GPRESSAVG: 1963200 5.75862 69.0343 -37.2996 71.3991 4.674 18.3768 -37.1858 20.0734 31.0275 TIMING: 1963200 CPU: 6134.08, 0.00313408/step Wall: 6134.08, 0.00313408/step, 2.64377 hours remaining, 234.253906 MB of memory in use. ENERGY: 1963200 3871.4781 20503.8682 14384.1490 244.7825 -203250.1590 2824.9824 0.0000 0.0000 52152.6068 -109268.2919 299.7217 -161420.8987 -108907.0872 298.9258 80.3045 102.5878 762634.1243 13.9046 13.8201 PRESSURE: 1963400 -297.676 237.956 228.349 237.957 248.443 -15.6217 228.349 -15.6218 69.1508 GPRESSURE: 1963400 -104.812 146.15 226.638 215.598 188.035 -0.979146 117.458 -62.0228 10.3233 PRESSAVG: 1963400 59.8117 37.5195 1.65595 37.5195 -17.2541 64.3637 1.65594 64.3636 9.16935 GPRESSAVG: 1963400 59.9164 35.6643 1.44095 36.2105 -17.8552 65.626 0.251254 61.4322 9.03651 TIMING: 1963400 CPU: 6134.7, 0.00310333/step Wall: 6134.7, 0.00310333/step, 2.61766 hours remaining, 234.253906 MB of memory in use. ENERGY: 1963400 4000.7931 20493.2577 14464.9023 265.7889 -203717.4925 2993.8432 0.0000 0.0000 52179.5342 -109319.3732 299.8765 -161498.9073 -108950.3935 299.2263 6.6393 31.1823 761163.5084 17.2423 17.0326 PRESSURE: 1963600 -298.473 54.4566 -164.448 54.4567 -430.735 145.303 -164.449 145.304 146.861 GPRESSURE: 1963600 -316.289 199.258 -160.774 -112.181 -336.98 152.586 -195.608 179.79 165.477 PRESSAVG: 1963600 34.684 98.0243 -58.9706 98.0243 -14.255 37.6834 -58.9706 37.6835 -8.17812 GPRESSAVG: 1963600 34.7265 99.8934 -58.3498 97.8087 -13.7219 36.9713 -58.9246 40.6204 -8.6478 TIMING: 1963600 CPU: 6135.32, 0.00310629/step Wall: 6135.32, 0.00310629/step, 2.61999 hours remaining, 234.253906 MB of memory in use. ENERGY: 1963600 4053.2155 20566.2073 14491.6587 235.8403 -203187.7074 2602.8131 0.0000 0.0000 51825.4490 -109412.5235 297.8416 -161237.9724 -109058.1115 298.8760 -194.1154 -162.5972 760710.2556 4.0836 4.1189 PRESSURE: 1963800 -200.143 201.811 81.317 201.812 -510.384 -0.260179 81.3168 -0.260467 -182.551 GPRESSURE: 1963800 -130.361 162.611 48.1888 188.454 -532.661 -63.6399 108.676 -23.9899 -158.786 PRESSAVG: 1963800 65.7333 67.3029 -13.0517 67.3028 -77.3146 15.1676 -13.0516 15.1677 17.5277 GPRESSAVG: 1963800 66.0089 66.6877 -13.7371 68.6202 -76.0652 15.5077 -13.5881 13.0271 15.4824 TIMING: 1963800 CPU: 6135.95, 0.00311596/step Wall: 6135.95, 0.00311596/step, 2.62797 hours remaining, 234.253906 MB of memory in use. ENERGY: 1963800 3949.0180 20480.9189 14419.6726 236.3982 -203125.0907 2453.4334 0.0000 0.0000 52212.0259 -109373.6236 300.0632 -161585.6495 -109005.2578 299.0174 -297.6924 -273.9361 763008.9622 1.9821 1.8087 PRESSURE: 1964000 -130.12 -130.799 -7.06188 -130.799 154.17 -251.276 -7.0603 -251.275 -230.533 GPRESSURE: 1964000 -13.5637 -36.2356 -25.5137 -231.437 35.3563 -90.3334 -1.04135 -136.922 -140.824 PRESSAVG: 1964000 100.374 19.5159 -35.2635 19.5159 -42.9352 -31.2826 -35.2635 -31.2826 4.36799 GPRESSAVG: 1964000 99.9611 19.7799 -35.3183 18.3916 -45.4553 -30.9166 -34.2883 -26.9739 6.6759 TIMING: 1964000 CPU: 6136.57, 0.00311108/step Wall: 6136.57, 0.00311108/step, 2.62368 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1964000 3965.6162 20514.7965 14440.8282 262.0157 -203148.6713 2482.6460 0.0000 0.0000 51906.8624 -109575.9062 298.3095 -161482.7687 -109220.1017 298.1802 -68.8277 -39.6770 762431.9895 20.6022 20.3939 PRESSURE: 1964200 -59.1995 -212.956 30.3759 -212.955 -198.929 -67.4085 30.3756 -67.4073 -21.5071 GPRESSURE: 1964200 59.2844 -140.937 68.4941 -270.686 -226.321 -96.1163 80.4372 -2.41137 -36.3548 PRESSAVG: 1964200 3.83285 35.3575 -36.182 35.3576 -32.1184 41.2013 -36.1821 41.2013 -6.84251 GPRESSAVG: 1964200 3.90962 33.8554 -35.7038 36.7718 -31.0157 40.0841 -37.1309 38.6212 -8.19497 TIMING: 1964200 CPU: 6137.2, 0.00313604/step Wall: 6137.2, 0.00313604/step, 2.64455 hours remaining, 234.253906 MB of memory in use. ENERGY: 1964200 3996.2474 20446.0183 14390.3404 243.3525 -203074.8519 2612.3248 0.0000 0.0000 51865.1092 -109521.4593 298.0695 -161386.5685 -109151.8046 297.8879 -93.2118 -67.7973 763698.0827 -11.7094 -11.7670 LDB: ============= START OF LOAD BALANCING ============== 6149.67 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6149.67 LDB: =============== DONE WITH MIGRATION ================ 6149.68 LDB: ============= START OF LOAD BALANCING ============== 6149.99 LDB: Largest compute 7058 load 0.031529 is 16.2% of average load 0.194867 LDB: Average compute 0.004445 is 2.3% of average load 0.194867 LDB: TIME 6149.99 LOAD: AVG 0.194867 MAX 0.215562 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.281 MB LDB: TIME 6149.99 LOAD: AVG 0.194867 MAX 0.215562 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.348 MB LDB: TIME 6149.99 LOAD: AVG 0.194867 MAX 0.215562 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.348 MB LDB: ============== END OF LOAD BALANCING =============== 6150 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 PRESSURE: 1964400 0.857318 81.4956 -238.827 81.4954 -79.0447 156.316 -238.827 156.316 -271.835 GPRESSURE: 1964400 22.54 57.0766 -338.747 184.704 16.8626 84.2865 -222.121 -27.3862 -307.41 PRESSAVG: 1964400 13.7995 -32.72 -27.7765 -32.72 -29.4745 82.0109 -27.7765 82.0109 -17.5968 GPRESSAVG: 1964400 12.4923 -32.8379 -27.7044 -32.8917 -28.8287 82.4964 -25.8735 79.8155 -16.8003 TIMING: 1964400 CPU: 6137.83, 0.00319272/step Wall: 6137.83, 0.00319272/step, 2.69217 hours remaining, 234.050781 MB of memory in use. ENERGY: 1964400 4012.2180 20360.6514 14489.2453 258.8546 -203647.6325 2936.9640 0.0000 0.0000 52077.1083 -109512.5909 299.2879 -161589.6991 -109149.1340 298.1568 -116.6741 -89.3359 764491.3077 -11.0906 -11.0456 PRESSURE: 1964600 -84.8712 80.0716 48.5924 80.0711 -212.836 148.042 48.5925 148.044 -88.1499 GPRESSURE: 1964600 -30.8528 46.0006 21.7647 51.8542 -190.588 231.429 104.66 116.439 -55.7053 PRESSAVG: 1964600 32.3594 34.4134 -97.4421 34.4134 -18.634 67.4372 -97.4421 67.4372 -9.56419 GPRESSAVG: 1964600 32.8266 33.8187 -96.5944 35.2595 -17.8629 67.9081 -98.238 68.8933 -10.5404 TIMING: 1964600 CPU: 6138.46, 0.00312456/step Wall: 6138.46, 0.00312456/step, 2.63452 hours remaining, 234.050781 MB of memory in use. ENERGY: 1964600 3956.6728 20439.8654 14425.1650 231.9093 -203672.6167 2794.0712 0.0000 0.0000 52110.9659 -109713.9671 299.4824 -161824.9330 -109346.8708 298.6061 -128.6190 -92.3820 763167.2050 1.3871 1.4744 PRESSURE: 1964800 -85.8671 -167.324 1.01061 -167.324 194.653 -36.6969 1.00999 -36.698 395.813 GPRESSURE: 1964800 -18.3885 -90.6309 38.4735 -18.8395 292.884 -20.2995 -16.8268 27.3195 314.152 PRESSAVG: 1964800 -14.694 -27.4422 -20.4263 -27.4422 24.8297 50.4264 -20.4263 50.4264 24.1903 GPRESSAVG: 1964800 -13.8912 -24.5931 -21.7551 -28.8181 23.2283 49.5271 -20.5139 51.1985 24.3362 TIMING: 1964800 CPU: 6139.08, 0.00312463/step Wall: 6139.08, 0.00312463/step, 2.63441 hours remaining, 234.050781 MB of memory in use. ENERGY: 1964800 4046.8767 20425.4520 14407.8778 240.4380 -203437.9096 3025.3568 0.0000 0.0000 51923.0688 -109368.8394 298.4026 -161291.9082 -109007.4378 298.3604 168.1994 196.2159 761613.3958 11.4420 11.2244 PRESSURE: 1965000 -211.376 -45.0151 27.9416 -45.0152 -162.674 -98.8354 27.9411 -98.8349 -61.6509 GPRESSURE: 1965000 -258.552 10.6278 82.5862 -16.4223 -15.7079 -122.622 64.9249 -243.742 -74.5426 PRESSAVG: 1965000 -5.86539 -7.58849 -33.7954 -7.58844 -16.7778 -21.7299 -33.7955 -21.73 0.866026 GPRESSAVG: 1965000 -7.39834 -10.0631 -33.6 -2.89183 -16.6771 -21.0234 -34.0362 -23.1285 2.12517 TIMING: 1965000 CPU: 6139.71, 0.00313678/step Wall: 6139.71, 0.00313678/step, 2.64448 hours remaining, 234.050781 MB of memory in use. ENERGY: 1965000 4011.3019 20392.0824 14394.6236 254.2316 -203100.9901 2837.8247 0.0000 0.0000 51873.7706 -109337.1552 298.1193 -161210.9258 -108976.1026 298.5845 -145.2335 -116.2675 762608.3598 -7.2590 -7.3168 PRESSURE: 1965200 56.2522 90.9587 288.426 90.958 316.015 133.043 288.427 133.043 63.8772 GPRESSURE: 1965200 22.7855 106.307 275.782 48.2767 317.224 143.387 182.168 99.6517 153.97 PRESSAVG: 1965200 -35.3997 26.901 -20.6734 26.9009 18.3661 4.64432 -20.6734 4.64434 -6.67114 GPRESSAVG: 1965200 -34.8855 27.6129 -20.8978 23.7284 17.8515 3.61114 -20.1565 3.66851 -7.15333 TIMING: 1965200 CPU: 6140.34, 0.0031313/step Wall: 6140.34, 0.0031313/step, 2.63969 hours remaining, 234.050781 MB of memory in use. ENERGY: 1965200 3929.3892 20603.2287 14458.3155 243.8274 -202805.1161 2556.9346 0.0000 0.0000 51842.8975 -109170.5233 297.9418 -161013.4207 -108817.4911 299.0284 145.3816 164.6598 763171.2856 -7.9016 -8.0624 PRESSURE: 1965400 -321.942 -62.9294 -317.528 -62.9289 -378.727 -77.3158 -317.529 -77.316 -115.804 GPRESSURE: 1965400 -279.846 -88.2842 -276.307 -17.3223 -417.665 -80.0235 -285.847 -33.1186 -27.5558 PRESSAVG: 1965400 3.94944 53.8326 -9.2796 53.8327 9.87603 31.4561 -9.27958 31.456 18.0085 GPRESSAVG: 1965400 3.55096 52.3006 -8.44037 55.7379 9.89932 29.9564 -12.2925 34.2141 19.0156 TIMING: 1965400 CPU: 6140.96, 0.0031297/step Wall: 6140.96, 0.0031297/step, 2.63816 hours remaining, 234.050781 MB of memory in use. ENERGY: 1965400 3994.1244 20529.2327 14444.7596 245.8424 -203138.1965 2721.8355 0.0000 0.0000 51934.7008 -109267.7011 298.4694 -161202.4019 -108907.7964 298.8582 -272.1578 -241.6891 763264.1351 10.6113 10.8220 PRESSURE: 1965600 5.82449 8.23857 105.115 8.23865 -152.714 472.079 105.115 472.079 -478.362 GPRESSURE: 1965600 35.2234 8.60222 103.919 151.953 -144.932 477.441 39.9184 374.598 -425.949 PRESSAVG: 1965600 38.3332 8.91302 5.99543 8.91303 -39.6357 86.8197 5.99545 86.8197 -6.66436 GPRESSAVG: 1965600 38.3814 10.7752 7.16105 5.52393 -38.5891 86.6729 7.40124 84.68 -7.61806 TIMING: 1965600 CPU: 6141.59, 0.00314922/step Wall: 6141.59, 0.00314922/step, 2.65445 hours remaining, 234.050781 MB of memory in use. ENERGY: 1965600 4055.4789 20602.9438 14450.2937 247.2266 -203552.2798 2905.8932 0.0000 0.0000 51944.3703 -109346.0732 298.5250 -161290.4435 -108996.1653 298.9020 -208.4172 -178.5525 763680.1303 -2.6556 -2.6086 PRESSURE: 1965800 -182.327 140.335 161.89 140.334 -317.152 -81.1376 161.891 -81.1374 232.64 GPRESSURE: 1965800 -143.984 64.9376 130.157 154.49 -314.078 -44.8609 334.308 -3.32248 262.158 PRESSAVG: 1965800 35.1521 8.47423 4.83185 8.4742 12.9802 37.6149 4.83184 37.6149 1.42169 GPRESSAVG: 1965800 36.866 9.14387 3.01581 8.22561 11.9617 38.4951 5.48192 37.6288 0.968075 TIMING: 1965800 CPU: 6142.22, 0.003122/step Wall: 6142.22, 0.003122/step, 2.63133 hours remaining, 234.050781 MB of memory in use. ENERGY: 1965800 4039.7586 20603.2360 14484.0674 243.8475 -203183.2513 2683.4947 0.0000 0.0000 52012.8422 -109116.0050 298.9185 -161128.8471 -108755.8212 298.8301 -88.9465 -65.3012 764669.3627 16.5180 16.5986 PRESSURE: 1966000 63.2884 -122.814 66.7338 -122.814 -75.2635 19.9234 66.7331 19.923 -126.14 GPRESSURE: 1966000 40.0227 -21.1076 37.7046 -178.063 -12.764 -41.303 106.992 43.2467 -70.8142 PRESSAVG: 1966000 -21.6884 2.08545 18.8093 2.08547 -7.75086 31.9342 18.8092 31.9342 15.9576 GPRESSAVG: 1966000 -23.0639 2.08742 18.6285 3.16967 -6.655 29.9488 18.1048 32.6666 16.9431 TIMING: 1966000 CPU: 6142.84, 0.00312202/step Wall: 6142.84, 0.00312202/step, 2.63117 hours remaining, 234.050781 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: 1966000 4083.4502 20639.9293 14483.0453 228.8234 -203345.4809 2865.4385 0.0000 0.0000 51714.8972 -109329.8969 297.2062 -161044.7942 -108981.9628 298.7953 -46.0385 -14.5185 763779.7602 -4.4939 -4.2586 PRESSURE: 1966200 -78.5744 -52.6099 -5.56896 -52.6094 181.835 -74.7125 -5.56853 -74.7134 -78.7629 GPRESSURE: 1966200 -128.16 -76.9463 -2.99597 -67.1002 179.469 -102.52 -62.2983 -168.556 61.9409 PRESSAVG: 1966200 -5.8739 14.4314 -26.7654 14.4314 -7.95461 18.4534 -26.7654 18.4534 -12.7148 GPRESSAVG: 1966200 -6.10154 12.6184 -27.0171 15.3143 -7.32497 21.2732 -28.4799 19.799 -12.6491 TIMING: 1966200 CPU: 6143.47, 0.00313181/step Wall: 6143.47, 0.00313181/step, 2.63924 hours remaining, 234.050781 MB of memory in use. ENERGY: 1966200 4006.5867 20458.9183 14412.4142 243.6018 -203205.2824 2772.7970 0.0000 0.0000 51978.9695 -109331.9948 298.7239 -161310.9643 -108968.3989 298.2038 8.1658 37.7499 763048.5967 -8.8478 -8.6919 PRESSURE: 1966400 129.359 -159.198 -137.879 -159.198 -150.753 -262.046 -137.879 -262.046 215.002 GPRESSURE: 1966400 168.253 -201.434 -223.325 -63.1858 -98.4338 -312.292 28.5975 -190.442 215.589 PRESSAVG: 1966400 -17.4181 -12.7029 -23.1607 -12.7029 18.8848 1.69071 -23.1608 1.69069 2.03185 GPRESSAVG: 1966400 -18.1321 -12.872 -23.2593 -13.9459 19.5637 0.387195 -22.5964 0.570436 1.91463 TIMING: 1966400 CPU: 6144.09, 0.00312636/step Wall: 6144.09, 0.00312636/step, 2.63448 hours remaining, 234.050781 MB of memory in use. ENERGY: 1966400 4050.1263 20515.9777 14439.9253 240.3635 -203039.9499 2683.7794 0.0000 0.0000 51905.8582 -109203.9195 298.3037 -161109.7777 -108850.0315 298.7402 64.5363 95.1360 762793.2348 1.1662 1.1154 PRESSURE: 1966600 -52.006 43.0714 319.779 43.0709 191.743 128.262 319.779 128.263 15.6838 GPRESSURE: 1966600 52.5475 -97.9296 373.702 48.5069 175.652 229.387 297.172 101.451 20.5268 PRESSAVG: 1966600 26.9416 -28.4823 -6.57964 -28.4823 12.6813 -19.8955 -6.57962 -19.8955 -22.885 GPRESSAVG: 1966600 27.9634 -27.8738 -6.59053 -29.7468 11.2361 -18.602 -6.63576 -19.9694 -22.3705 TIMING: 1966600 CPU: 6144.72, 0.00310389/step Wall: 6144.72, 0.00310389/step, 2.61537 hours remaining, 234.050781 MB of memory in use. ENERGY: 1966600 3916.3546 20543.8622 14408.2393 274.4348 -203118.1545 2600.5082 0.0000 0.0000 52128.1444 -109246.6110 299.5812 -161374.7554 -108882.1220 299.1717 51.8068 82.9089 763768.4053 5.5793 5.6096 PRESSURE: 1966800 -59.3896 -257.805 11.7176 -257.804 69.0832 -11.6269 11.7172 -11.6262 -27.0842 GPRESSURE: 1966800 -69.4003 -263.319 -20.2978 -156.191 139.401 109.669 -16.4086 -9.73385 -10.6071 PRESSAVG: 1966800 -67.0499 -4.12412 -28.1219 -4.12411 59.0839 47.2054 -28.1219 47.2054 1.18449 GPRESSAVG: 1966800 -67.4245 -3.31612 -26.7817 -4.04153 60.4152 46.7816 -27.5214 43.8621 0.347487 TIMING: 1966800 CPU: 6145.34, 0.00310063/step Wall: 6145.34, 0.00310063/step, 2.61245 hours remaining, 234.050781 MB of memory in use. ENERGY: 1966800 3936.0379 20420.2911 14412.2312 271.4438 -202428.1144 2458.5312 0.0000 0.0000 51932.1613 -108997.4180 298.4548 -160929.5793 -108631.1562 298.9581 -5.7968 19.7980 765376.4189 -2.2605 -2.2206 PRESSURE: 1967000 277.205 -27.9548 45.2061 -27.9545 354.765 -253.388 45.2062 -253.389 -403.595 GPRESSURE: 1967000 344.092 -39.3601 20.8203 -42.6217 308.402 -213.073 -52.7387 -118.14 -338.182 PRESSAVG: 1967000 -53.1139 -54.3595 -18.3109 -54.3594 24.6164 -29.2418 -18.3109 -29.2418 6.6391 GPRESSAVG: 1967000 -52.9388 -55.134 -19.1428 -52.3574 24.0411 -30.0808 -17.079 -24.6447 6.9817 TIMING: 1967000 CPU: 6145.95, 0.0030988/step Wall: 6145.95, 0.0030988/step, 2.61074 hours remaining, 234.050781 MB of memory in use. ENERGY: 1967000 3959.3852 20438.5546 14404.3009 248.4226 -203437.3809 3027.5358 0.0000 0.0000 52153.9729 -109205.2090 299.7296 -161359.1819 -108835.0327 298.7679 76.1248 104.7708 762350.5866 -7.2861 -7.3053 PRESSURE: 1967200 42.8366 108.973 -58.2552 108.972 -195.637 -247.515 -58.2551 -247.514 -39.9235 GPRESSURE: 1967200 111.505 124.51 -19.8457 200.088 -200.869 -253.478 -121.756 -258.639 -27.4339 PRESSAVG: 1967200 8.07783 -16.9183 27.077 -16.9183 19.5509 -64.0328 27.0769 -64.0328 -0.0432136 GPRESSAVG: 1967200 8.15425 -16.5619 27.1525 -18.405 18.9007 -63.6871 23.633 -65.5086 0.229673 TIMING: 1967200 CPU: 6146.58, 0.00310131/step Wall: 6146.58, 0.00310131/step, 2.61268 hours remaining, 234.050781 MB of memory in use. ENERGY: 1967200 3917.7581 20471.9038 14445.8781 255.1718 -203300.1151 2909.0119 0.0000 0.0000 52093.2104 -109207.1809 299.3804 -161300.3913 -108840.8336 298.5172 -64.2414 -38.9325 763459.6205 9.1952 9.0949 PRESSURE: 1967400 0.965116 148.842 31.4863 148.842 92.3128 -6.55779 31.4859 -6.55735 174.462 GPRESSURE: 1967400 95.2905 141.355 55.6067 67.7603 113.446 -35.1153 135.307 71.0911 162.733 PRESSAVG: 1967400 8.27387 -13.0001 -13.2461 -13 4.51976 -32.3534 -13.246 -32.3534 -14.4394 GPRESSAVG: 1967400 7.85057 -13.6912 -13.4554 -13.6671 5.27945 -31.7075 -10.3655 -32.4723 -15.1275 TIMING: 1967400 CPU: 6147.2, 0.00310066/step Wall: 6147.2, 0.00310066/step, 2.61196 hours remaining, 234.050781 MB of memory in use. ENERGY: 1967400 4061.9258 20450.6771 14449.9848 241.1871 -203439.8448 3079.2071 0.0000 0.0000 51892.8962 -109263.9667 298.2292 -161156.8629 -108905.6851 299.2610 89.2467 123.8233 763997.5087 -0.5486 -0.6658 PRESSURE: 1967600 -182.184 28.0675 -70.1025 28.0676 -357.053 78.7175 -70.1028 78.7186 -68.021 GPRESSURE: 1967600 -140.771 126.348 20.2186 -31.8202 -275.708 -44.6205 -123.164 54.4872 -103.429 PRESSAVG: 1967600 9.01067 0.114456 -3.40108 0.114481 -47.1297 38.611 -3.40111 38.611 10.9937 GPRESSAVG: 1967600 9.72179 1.4767 -2.6389 -0.876049 -47.178 37.736 -3.20708 38.6158 10.3564 TIMING: 1967600 CPU: 6147.82, 0.00310561/step Wall: 6147.82, 0.00310561/step, 2.61596 hours remaining, 234.050781 MB of memory in use. ENERGY: 1967600 3982.3808 20496.4313 14539.9577 261.9420 -203117.1760 2643.2107 0.0000 0.0000 51898.0159 -109295.2377 298.2586 -161193.2536 -108931.2274 298.9615 -202.4195 -173.3028 765808.4583 -9.0418 -9.0333 PRESSURE: 1967800 -232.092 29.8473 -55.6627 29.8468 -92.2529 366.315 -55.6635 366.315 -57.2162 GPRESSURE: 1967800 -233.386 37.5515 -72.2153 99.9071 -95.5849 316.928 -20.5159 356.546 34.4944 PRESSAVG: 1967800 -31.7197 -15.8443 -30.3672 -15.8444 -9.83103 -46.9 -30.3673 -46.9001 3.17115 GPRESSAVG: 1967800 -32.0185 -14.5068 -31.2968 -15.3271 -10.8056 -47.0803 -29.3017 -47.7217 4.3294 TIMING: 1967800 CPU: 6148.43, 0.00308746/step Wall: 6148.43, 0.00308746/step, 2.6005 hours remaining, 234.050781 MB of memory in use. ENERGY: 1967800 3933.2421 20587.1705 14523.0377 272.8994 -203429.2794 2767.0864 0.0000 0.0000 51960.9296 -109384.9137 298.6202 -161345.8434 -109025.3420 298.5048 -127.1871 -98.1588 762677.4213 -12.7932 -12.8316 PRESSURE: 1968000 68.0095 -54.7776 -69.0914 -54.7773 -288.827 -62.5601 -69.0914 -62.5611 669.528 GPRESSURE: 1968000 39.8678 -49.9177 -25.3383 -57.2015 -118.428 -76.3567 -14.2492 -120.464 580.076 PRESSAVG: 1968000 10.6121 -0.389697 -16.4782 -0.389666 39.7001 25.8282 -16.4782 25.8281 18.6302 GPRESSAVG: 1968000 11.1798 -1.5081 -16.1408 0.615389 39.2708 26.0961 -17.333 25.8951 18.1904 TIMING: 1968000 CPU: 6149.05, 0.00308619/step Wall: 6149.05, 0.00308619/step, 2.59926 hours remaining, 234.050781 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: 1968000 3882.8586 20416.8333 14502.6504 244.6665 -203281.4353 2876.8848 0.0000 0.0000 51846.9356 -109510.6060 297.9651 -161357.5416 -109157.8721 298.3404 149.5701 167.1720 766104.4113 22.9808 22.8803 PRESSURE: 1968200 115.068 123.898 29.037 123.897 -162.971 160.524 29.0374 160.523 -172.72 GPRESSURE: 1968200 183.331 71.2038 65.7804 84.8459 -110.358 213.085 -56.5967 186.512 -207.446 PRESSAVG: 1968200 47.4055 16.5077 19.785 16.5076 -29.3323 -18.0503 19.785 -18.0503 3.71169 GPRESSAVG: 1968200 45.7652 14.6089 19.4248 17.463 -27.4031 -18.5132 20.9455 -17.4718 3.60932 TIMING: 1968200 CPU: 6149.67, 0.0030931/step Wall: 6149.67, 0.0030931/step, 2.6049 hours remaining, 234.050781 MB of memory in use. ENERGY: 1968200 3894.5259 20526.2775 14493.7043 239.8855 -203594.4049 3058.9780 0.0000 0.0000 52039.3435 -109341.6902 299.0708 -161381.0337 -108983.4163 297.8875 -73.5407 -44.8242 762883.1796 7.2616 7.3238 LDB: ============= START OF LOAD BALANCING ============== 6162.15 LDB: ============== END OF LOAD BALANCING =============== 6162.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6162.15 LDB: ============= START OF LOAD BALANCING ============== 6162.46 LDB: Largest compute 7007 load 0.031152 is 16.0% of average load 0.194936 LDB: Average compute 0.004448 is 2.3% of average load 0.194936 LDB: TIME 6162.46 LOAD: AVG 0.194936 MAX 0.215292 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.984 MB LDB: TIME 6162.46 LOAD: AVG 0.194936 MAX 0.215292 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.988 MB LDB: TIME 6162.46 LOAD: AVG 0.194936 MAX 0.215292 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.988 MB LDB: ============== END OF LOAD BALANCING =============== 6162.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6162.47 PRESSURE: 1968400 36.0219 -110.838 -95.2044 -110.838 66.2745 -134.089 -95.204 -134.088 295.255 GPRESSURE: 1968400 142.962 -42.977 -135.088 -75.8507 14.1062 -191.104 -16.0439 -59.6209 319.687 PRESSAVG: 1968400 26.5845 11.804 3.08179 11.8041 -53.5625 -36.8632 3.08181 -36.8632 2.45212 GPRESSAVG: 1968400 27.1756 11.4317 2.55393 10.2362 -55.8219 -36.1017 3.06198 -34.2467 3.81246 TIMING: 1968400 CPU: 6150.3, 0.00317469/step Wall: 6150.3, 0.00317469/step, 2.67344 hours remaining, 233.984375 MB of memory in use. ENERGY: 1968400 3971.7750 20359.9924 14505.9772 251.9410 -203429.9192 3013.1031 0.0000 0.0000 51890.7752 -109436.3553 298.2170 -161327.1305 -109073.7312 298.0981 132.5172 158.9185 763668.8923 -8.1753 -8.2779 PRESSURE: 1968600 -212.391 100.822 66.0116 100.822 318.29 -99.1217 66.0115 -99.1212 161.227 GPRESSURE: 1968600 -47.6779 90.7295 -3.26706 127.406 259.797 -77.0033 131.664 -232.64 152.85 PRESSAVG: 1968600 -40.8478 -24.4179 -14.2077 -24.4179 62.3448 -13.9044 -14.2077 -13.9045 11.4289 GPRESSAVG: 1968600 -40.3592 -23.2642 -14.2711 -23.0597 62.5045 -14.7178 -16.3202 -17.6644 10.7444 TIMING: 1968600 CPU: 6150.93, 0.00310816/step Wall: 6150.93, 0.00310816/step, 2.61725 hours remaining, 233.984375 MB of memory in use. ENERGY: 1968600 4006.3127 20384.0694 14437.8025 226.0271 -203338.9856 3128.7262 0.0000 0.0000 51885.3378 -109270.7098 298.1857 -161156.0476 -108913.2585 298.4524 89.0418 121.6565 763965.5646 10.9753 10.9632 PRESSURE: 1968800 -88.4071 -62.3132 144.363 -62.313 253.095 -42.5859 144.363 -42.585 411.075 GPRESSURE: 1968800 -66.6124 -122.494 271.231 -46.8447 324.994 48.7202 84.4038 -49.4726 416.61 PRESSAVG: 1968800 -30.6989 4.29975 -1.48775 4.29973 -8.69157 -59.9707 -1.48773 -59.9707 20.7247 GPRESSAVG: 1968800 -31.4234 3.67912 0.663753 5.20871 -8.30684 -58.2841 0.349115 -59.8727 21.4226 TIMING: 1968800 CPU: 6151.55, 0.00310691/step Wall: 6151.55, 0.00310691/step, 2.61602 hours remaining, 233.984375 MB of memory in use. ENERGY: 1968800 3885.4266 20485.0749 14453.7704 224.1427 -203395.4082 3104.3752 0.0000 0.0000 51982.0668 -109260.5517 298.7417 -161242.6185 -108895.5782 298.2565 191.9210 224.9974 763161.2136 -6.2219 -6.1025 PRESSURE: 1969000 -150.372 48.7702 -227.362 48.7708 -370.367 81.6719 -227.362 81.6726 417.429 GPRESSURE: 1969000 -164.815 36.7422 -226.794 91.817 -271.043 14.3661 -179.929 79.8147 430.55 PRESSAVG: 1969000 -66.1983 0.429756 -2.59375 0.429773 25.1069 -17.1364 -2.59376 -17.1364 -9.26021 GPRESSAVG: 1969000 -66.4031 0.763065 -4.8639 -0.586629 25.9116 -18.229 -1.59077 -15.8437 -10.192 TIMING: 1969000 CPU: 6152.17, 0.00312034/step Wall: 6152.17, 0.00312034/step, 2.62716 hours remaining, 233.984375 MB of memory in use. ENERGY: 1969000 3999.3967 20419.9913 14432.3737 240.6010 -203666.5716 3002.1019 0.0000 0.0000 52202.9479 -109369.1591 300.0111 -161572.1071 -108993.3330 298.8259 -34.4366 -1.7695 764912.8766 -16.7839 -16.8945 PRESSURE: 1969200 -126.034 -64.9744 98.5862 -64.9751 38.9066 -170.222 98.586 -170.223 221.559 GPRESSURE: 1969200 -71.6905 -42.1581 32.3165 44.5919 70.8262 -146.433 129.799 -163.963 194.698 PRESSAVG: 1969200 0.123968 -12.692 -47.7675 -12.692 4.81631 -13.9824 -47.7675 -13.9824 -9.8946 GPRESSAVG: 1969200 1.13513 -12.9267 -46.4153 -11.9957 4.50061 -12.2361 -48.6034 -12.9132 -10.253 TIMING: 1969200 CPU: 6152.8, 0.0031244/step Wall: 6152.8, 0.0031244/step, 2.6304 hours remaining, 233.984375 MB of memory in use. ENERGY: 1969200 4004.0380 20309.6181 14468.8657 260.4901 -203632.4314 3033.5247 0.0000 0.0000 52240.4332 -109315.4616 300.2265 -161555.8948 -108938.8860 298.5651 44.8105 64.6114 761544.2706 -1.6514 -1.5391 PRESSURE: 1969400 -8.42408 22.0429 22.5023 22.0442 -96.7837 127.562 22.5034 127.561 278.355 GPRESSURE: 1969400 41.022 173.802 -75.116 -69.4341 19.7826 76.7624 -108.645 154.034 199.638 PRESSAVG: 1969400 18.8707 -29.9371 -34.8215 -29.937 10.8711 -34.3889 -34.8215 -34.3888 8.58875 GPRESSAVG: 1969400 19.624 -28.8011 -34.2348 -31.33 10.2467 -37.4108 -35.8694 -34.0054 8.1761 TIMING: 1969400 CPU: 6153.42, 0.00311063/step Wall: 6153.42, 0.00311063/step, 2.61863 hours remaining, 233.984375 MB of memory in use. ENERGY: 1969400 4057.2548 20531.3676 14454.4273 263.7345 -203508.6734 2858.6446 0.0000 0.0000 52136.7576 -109206.4870 299.6307 -161343.2446 -108847.2593 298.9534 57.7158 86.8141 761614.8494 12.7769 12.6823 PRESSURE: 1969600 -71.9289 -223.529 1.08141 -223.528 -278.649 162.144 1.08166 162.145 -204.014 GPRESSURE: 1969600 -99.01 -247.224 -8.74716 -293.143 -192.46 139.721 -111.463 42.4133 -182.694 PRESSAVG: 1969600 -4.52904 -117.223 39.2489 -117.223 -2.07299 -15.7913 39.2488 -15.7913 -5.10305 GPRESSAVG: 1969600 -6.80526 -119.027 36.9739 -118.488 -2.1406 -13.8622 41.0535 -17.9485 -3.58391 TIMING: 1969600 CPU: 6154.05, 0.00313488/step Wall: 6154.05, 0.00313488/step, 2.63887 hours remaining, 233.984375 MB of memory in use. ENERGY: 1969600 3934.5597 20569.2884 14558.8716 252.5363 -202781.5799 2322.4412 0.0000 0.0000 51936.4284 -109207.4542 298.4794 -161143.8826 -108841.4372 299.1091 -184.8641 -158.0546 763213.5268 -3.9017 -4.1766 PRESSURE: 1969800 -2.18805 -190.734 29.593 -190.734 118.223 -63.8298 29.5927 -63.8289 185.629 GPRESSURE: 1969800 -14.4407 -160.248 61.6158 -159.842 174.511 23.5533 51.1521 -71.5724 225.346 PRESSAVG: 1969800 -43.0594 -85.075 16.4051 -85.0751 35.642 7.06086 16.4052 7.06089 -3.49098 GPRESSAVG: 1969800 -42.7137 -83.2303 18.8879 -85.1358 36.4922 7.26069 16.0933 7.43622 -4.72186 TIMING: 1969800 CPU: 6154.67, 0.00314214/step Wall: 6154.67, 0.00314214/step, 2.64481 hours remaining, 233.984375 MB of memory in use. ENERGY: 1969800 4017.1625 20336.3032 14462.7799 234.0831 -203487.2857 2799.6274 0.0000 0.0000 52347.5853 -109289.7442 300.8423 -161637.3295 -108925.8367 299.1432 100.5549 128.4718 761012.2224 -3.6361 -3.6478 PRESSURE: 1970000 136.523 -18.6155 -83.4224 -18.6158 -695.645 8.55702 -83.4219 8.55757 -162.612 GPRESSURE: 1970000 114.657 -55.5742 -5.52291 -40.1913 -555.723 16.7494 -94.5657 -25.4477 -199.61 PRESSAVG: 1970000 -14.1279 -9.65666 -9.4488 -9.65658 9.23681 -55.6649 -9.44883 -55.6649 17.8442 GPRESSAVG: 1970000 -13.9393 -11.7259 -11.966 -6.23776 9.84565 -56.2858 -9.08823 -55.1965 17.1608 TIMING: 1970000 CPU: 6155.3, 0.0031133/step Wall: 6155.3, 0.0031133/step, 2.62036 hours remaining, 233.984375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1970000 4058.4842 20516.0189 14456.6807 239.1781 -203018.9845 2543.3829 0.0000 0.0000 52219.0819 -108986.1578 300.1038 -161205.2397 -108625.5379 299.3758 -240.5777 -213.5587 763237.9918 4.3177 4.3557 PRESSURE: 1970200 105.153 180.168 32.7219 180.168 281.7 139.854 32.7216 139.854 -129.339 GPRESSURE: 1970200 179.981 194.573 -28.3192 308.282 272.99 226.842 49.7612 143.057 -115.439 PRESSAVG: 1970200 -25.5022 3.2129 -19.6501 3.21295 -24.2497 7.59852 -19.6501 7.59855 -0.662809 GPRESSAVG: 1970200 -25.5114 4.98082 -18.9302 1.30703 -25.3852 6.94839 -19.9554 8.04028 0.267417 TIMING: 1970200 CPU: 6155.92, 0.00312202/step Wall: 6155.92, 0.00312202/step, 2.62753 hours remaining, 233.984375 MB of memory in use. ENERGY: 1970200 4042.3835 20476.5287 14484.9303 239.8610 -203146.1393 2610.4908 0.0000 0.0000 52226.0446 -109065.9004 300.1438 -161291.9450 -108694.1018 299.2907 85.8378 112.5110 763077.1788 -16.8049 -16.8764 PRESSURE: 1970400 248.06 -86.8322 83.0627 -86.8326 49.3204 -151.815 83.0631 -151.816 180.844 GPRESSURE: 1970400 297.989 -45.7953 46.0116 -90.8987 29.3025 -195.867 143.178 -141.029 218.536 PRESSAVG: 1970400 8.87032 -7.6373 -42.6232 -7.63724 6.83256 -54.4623 -42.6232 -54.4624 -39.7084 GPRESSAVG: 1970400 8.93681 -7.12762 -42.1739 -7.78927 6.52905 -53.6467 -44.1022 -55.729 -39.0141 TIMING: 1970400 CPU: 6156.54, 0.0031133/step Wall: 6156.54, 0.0031133/step, 2.62002 hours remaining, 233.984375 MB of memory in use. ENERGY: 1970400 3976.3819 20529.7692 14432.6562 258.2948 -203081.9797 2665.8269 0.0000 0.0000 52203.1544 -109015.8963 300.0122 -161219.0507 -108658.0192 299.8836 159.4083 181.9424 763108.2195 -8.0018 -7.8494 PRESSURE: 1970600 -204.277 -26.3469 65.3507 -26.3466 72.0242 -26.8265 65.3503 -26.8266 149.628 GPRESSURE: 1970600 -152.202 -162.045 -6.60746 -68.9562 108.657 -184.557 -46.72 -37.7738 123.372 PRESSAVG: 1970600 -57.3948 -36.3722 -45.2925 -36.3723 16.7589 -24.0712 -45.2925 -24.0711 9.10431 GPRESSAVG: 1970600 -56.036 -38.891 -46.2185 -35.8636 15.4992 -23.4157 -44.1558 -22.346 8.5128 TIMING: 1970600 CPU: 6157.17, 0.00311066/step Wall: 6157.17, 0.00311066/step, 2.61762 hours remaining, 233.984375 MB of memory in use. ENERGY: 1970600 3993.6966 20565.6366 14478.2065 243.7486 -203453.6521 2900.8886 0.0000 0.0000 52182.1464 -109089.3289 299.8915 -161271.4753 -108724.7232 299.3699 5.7915 26.6091 762844.0410 -10.5105 -10.6747 PRESSURE: 1970800 -296.574 32.2824 -87.4621 32.2832 -117.879 -54.4203 -87.4619 -54.4208 61.4593 GPRESSURE: 1970800 -269.316 155.333 -98.2154 60.2206 -85.0805 -87.4142 72.8907 -32.6109 71.9954 PRESSAVG: 1970800 -40.1703 -16.4845 6.65427 -16.4844 6.40558 -65.841 6.65432 -65.841 -13.0755 GPRESSAVG: 1970800 -41.3094 -12.531 6.39284 -18.1602 8.6989 -66.1648 7.23971 -65.8914 -14.2208 TIMING: 1970800 CPU: 6157.79, 0.00310633/step Wall: 6157.79, 0.00310633/step, 2.6138 hours remaining, 233.984375 MB of memory in use. ENERGY: 1970800 3975.2436 20497.5513 14508.2754 245.6655 -203031.3783 2478.4991 0.0000 0.0000 52315.3905 -109010.7530 300.6573 -161326.1435 -108645.3104 299.8613 -117.6646 -94.1338 762236.3400 -15.6134 -15.6104 PRESSURE: 1971000 14.4962 44.0482 256.129 44.0487 301.639 -0.954326 256.129 -0.953267 -141.23 GPRESSURE: 1971000 158.305 -19.7115 104.467 71.9277 224.773 76.15 240.545 -111.955 -134.185 PRESSAVG: 1971000 -36.5375 -28.3267 6.91894 -28.3268 44.2319 -14.3464 6.91894 -14.3464 11.3742 GPRESSAVG: 1971000 -35.7716 -30.5852 7.41554 -27.2701 42.8596 -14.5403 6.26263 -14.3023 12.389 TIMING: 1971000 CPU: 6158.41, 0.00312273/step Wall: 6158.41, 0.00312273/step, 2.62743 hours remaining, 233.984375 MB of memory in use. ENERGY: 1971000 4051.8482 20534.3093 14496.2735 256.9314 -203108.5924 2631.2642 0.0000 0.0000 51980.4375 -109157.5283 298.7323 -161137.9659 -108793.0901 299.5681 58.3016 82.9645 763064.9514 6.3562 6.4923 PRESSURE: 1971200 -104.624 -15.7506 -227.904 -15.7499 81.5647 -270.34 -227.903 -270.34 -399.079 GPRESSURE: 1971200 -34.9255 -18.6841 -224.436 -95.3311 152.393 -410.409 -126.922 -239.573 -460.604 PRESSAVG: 1971200 -21.956 -23.6267 -5.01873 -23.6267 20.7503 -24.1264 -5.01875 -24.1265 22.4651 GPRESSAVG: 1971200 -21.966 -22.516 -3.93546 -24.2209 21.7708 -26.52 -7.26804 -25.0771 22.5748 TIMING: 1971200 CPU: 6159.03, 0.00310182/step Wall: 6159.03, 0.00310181/step, 2.60966 hours remaining, 233.984375 MB of memory in use. ENERGY: 1971200 4078.6553 20620.8270 14477.8009 234.0516 -203260.7611 2544.9470 0.0000 0.0000 52037.2747 -109267.2046 299.0589 -161304.4793 -108911.5366 298.9243 -140.7127 -114.3791 762585.4147 7.0865 7.4599 PRESSURE: 1971400 -70.053 96.8777 51.4139 96.8766 399.846 -191.467 51.4127 -191.467 -87.5462 GPRESSURE: 1971400 -40.4979 174.173 17.1907 185.178 493.991 -214.944 -110.347 -179.961 -120.232 PRESSAVG: 1971400 -47.5065 -37.0897 -22.4403 -37.0896 50.8585 -69.4431 -22.4403 -69.4431 24.1682 GPRESSAVG: 1971400 -47.1351 -36.4297 -22.8517 -37.5665 50.8489 -66.6593 -20.8585 -69.1744 23.2479 TIMING: 1971400 CPU: 6159.65, 0.0031027/step Wall: 6159.65, 0.0031027/step, 2.61024 hours remaining, 233.984375 MB of memory in use. ENERGY: 1971400 3967.0033 20586.2077 14518.7638 250.8900 -203364.6211 2735.0566 0.0000 0.0000 52040.5535 -109266.1463 299.0778 -161306.6998 -108903.4227 299.1822 80.7490 111.0868 761244.3630 9.1734 8.9872 PRESSURE: 1971600 -316.903 6.11173 -254.4 6.11334 158.338 -147.649 -254.4 -147.649 18.2582 GPRESSURE: 1971600 -267.204 13.191 -162.062 37.667 140.206 -131.011 -140.419 -54.3753 65.5793 PRESSAVG: 1971600 -34.4104 -48.5601 -8.84162 -48.56 43.5542 -32.7817 -8.84162 -32.7818 11.8672 GPRESSAVG: 1971600 -35.3489 -48.9381 -7.76145 -47.2796 43.0902 -33.2822 -10.4266 -32.6654 13.2045 TIMING: 1971600 CPU: 6160.27, 0.00308894/step Wall: 6160.27, 0.00308894/step, 2.59848 hours remaining, 233.984375 MB of memory in use. ENERGY: 1971600 3999.4054 20518.9735 14469.6114 255.0233 -203228.9768 2555.5906 0.0000 0.0000 51948.0137 -109482.3590 298.5459 -161430.3726 -109115.9551 298.9510 -46.7688 -20.4729 761943.3573 7.0037 6.9819 PRESSURE: 1971800 40.038 60.968 -210.96 60.9693 -76.9027 -138.647 -210.96 -138.648 -383.218 GPRESSURE: 1971800 47.5923 66.8988 -176.479 144.887 -45.5659 -123.46 -20.6046 -108.873 -335.504 PRESSAVG: 1971800 -82.0815 -7.58044 -50.3107 -7.5804 49.8645 -35.3902 -50.3106 -35.3901 10.5352 GPRESSAVG: 1971800 -82.4278 -8.73176 -51.1259 -5.73327 50.103 -34.7212 -47.3006 -33.5212 10.8309 TIMING: 1971800 CPU: 6160.89, 0.00309665/step Wall: 6160.89, 0.00309666/step, 2.6048 hours remaining, 233.984375 MB of memory in use. ENERGY: 1971800 3971.3617 20676.6369 14477.8090 237.2216 -203445.0427 2717.9660 0.0000 0.0000 52014.0571 -109349.9905 298.9255 -161364.0475 -108991.6000 299.1917 -140.0276 -111.1593 763038.7306 -7.2273 -7.1646 PRESSURE: 1972000 106.076 -50.3748 170.614 -50.3738 -283.637 60.2251 170.614 60.2261 -303.307 GPRESSURE: 1972000 136.512 -69.6277 165.049 19.0543 -277.901 93.6398 38.2684 57.3124 -266.85 PRESSAVG: 1972000 11.9602 -15.1552 -52.6152 -15.1551 6.42524 -58.7398 -52.6152 -58.7397 17.6109 GPRESSAVG: 1972000 11.6619 -15.0801 -53.3705 -16.4787 6.88176 -59.3705 -52.5191 -61.7944 16.7556 TIMING: 1972000 CPU: 6161.51, 0.00310612/step Wall: 6161.51, 0.00310612/step, 2.61259 hours remaining, 233.984375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1972000 4080.6475 20563.6772 14442.8729 232.5549 -203278.1820 2485.2990 0.0000 0.0000 52038.6016 -109434.5290 299.0666 -161473.1306 -109083.6348 299.3170 -160.2896 -136.0798 762220.9659 11.9988 11.7664 PRESSURE: 1972200 56.1723 191.797 -106.796 191.797 42.4547 -198.594 -106.797 -198.594 7.00257 GPRESSURE: 1972200 135.715 174.279 -72.7129 125.724 71.601 -120.161 -53.2471 22.3009 1.71101 PRESSAVG: 1972200 27.6924 -3.42026 -37.3332 -3.42022 7.9171 -18.8563 -37.3332 -18.8562 -18.9521 GPRESSAVG: 1972200 29.8277 -3.05836 -35.5731 -2.14564 6.13282 -19.3467 -37.936 -18.0504 -19.2939 TIMING: 1972200 CPU: 6162.13, 0.00310402/step Wall: 6162.13, 0.00310402/step, 2.61066 hours remaining, 233.984375 MB of memory in use. ENERGY: 1972200 3991.3661 20485.6218 14408.6322 263.0373 -203675.5418 3025.5416 0.0000 0.0000 52059.8478 -109441.4950 299.1887 -161501.3428 -109078.5747 298.9400 35.2099 69.6755 761444.5973 5.5524 5.5555 LDB: ============= START OF LOAD BALANCING ============== 6174.61 LDB: ============== END OF LOAD BALANCING =============== 6174.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6174.61 LDB: ============= START OF LOAD BALANCING ============== 6174.92 LDB: Largest compute 7007 load 0.029791 is 15.3% of average load 0.195081 LDB: Average compute 0.004409 is 2.3% of average load 0.195081 LDB: TIME 6174.93 LOAD: AVG 0.195081 MAX 0.212902 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.016 MB LDB: TIME 6174.93 LOAD: AVG 0.195081 MAX 0.212902 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.016 MB LDB: TIME 6174.93 LOAD: AVG 0.195081 MAX 0.212902 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.016 MB LDB: ============== END OF LOAD BALANCING =============== 6174.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6174.93 PRESSURE: 1972400 286.864 295.211 17.2093 295.211 -93.4801 32.6213 17.2093 32.6217 -360.858 GPRESSURE: 1972400 259.234 185.542 6.23233 396.417 -2.59516 -36.3721 -71.6201 67.7485 -343.378 PRESSAVG: 1972400 -29.7733 -11.568 -24.635 -11.568 24.3676 17.3893 -24.6349 17.3894 7.22033 GPRESSAVG: 1972400 -30.8517 -12.1049 -25.1613 -12.9666 26.8125 17.1336 -25.4469 16.9143 6.06825 TIMING: 1972400 CPU: 6162.77, 0.00318105/step Wall: 6162.77, 0.00318105/step, 2.67526 hours remaining, 234.304688 MB of memory in use. ENERGY: 1972400 4011.5863 20522.6436 14407.3557 232.9797 -203566.2778 2813.5734 0.0000 0.0000 52024.6409 -109553.4983 298.9863 -161578.1392 -109180.7772 298.4603 -55.8248 -28.9130 761631.1710 0.6049 0.6763 PRESSURE: 1972600 -79.3621 50.8762 -44.5582 50.8756 72.3612 -179.564 -44.5583 -179.564 -63.4824 GPRESSURE: 1972600 -208.134 -43.9903 -45.1221 -130.679 89.8281 -240.004 -61.6053 -62.538 103.986 PRESSAVG: 1972600 -59.2392 13.6189 -18.0908 13.6188 30.606 -15.0998 -18.0908 -15.0999 -29.669 GPRESSAVG: 1972600 -60.4004 13.1876 -18.2069 13.2065 30.4254 -14.8857 -19.2837 -15.2322 -28.2711 TIMING: 1972600 CPU: 6163.39, 0.00309485/step Wall: 6163.39, 0.00309485/step, 2.6026 hours remaining, 234.304688 MB of memory in use. ENERGY: 1972600 3892.0407 20687.9545 14410.5285 256.3026 -203195.5214 2455.6021 0.0000 0.0000 52130.1681 -109362.9249 299.5928 -161493.0930 -108999.3947 298.8794 -23.4944 -4.7735 763180.7371 -19.4341 -19.4154 PRESSURE: 1972800 496.721 -84.8502 42.3775 -84.8499 351.872 -5.07903 42.3781 -5.07973 189.172 GPRESSURE: 1972800 507.297 -35.6313 37.4891 2.55348 363.934 23.8749 86.1942 -95.3619 225.644 PRESSAVG: 1972800 -3.08359 -18.7932 11.8075 -18.7932 4.34688 -19.9413 11.8075 -19.9413 -7.84218 GPRESSAVG: 1972800 -1.3453 -17.0843 11.6106 -19.7126 2.18884 -19.0285 14.0062 -19.8686 -6.97097 TIMING: 1972800 CPU: 6164.01, 0.00310966/step Wall: 6164.01, 0.00310966/step, 2.61487 hours remaining, 234.304688 MB of memory in use. ENERGY: 1972800 4018.4856 20726.1947 14440.0767 237.7496 -203786.9829 3205.6910 0.0000 0.0000 52025.0564 -109133.7290 298.9887 -161158.7853 -108771.0646 299.4966 345.9216 365.6251 761576.2397 -2.1930 -2.0425 PRESSURE: 1973000 241.177 -31.8432 234.728 -31.8432 -15.5549 -90.7563 234.728 -90.7563 -137.924 GPRESSURE: 1973000 200.096 -81.6316 213.768 90.843 64.9704 -144.329 140.041 -23.2025 -106.454 PRESSAVG: 1973000 -49.538 19.5954 -47.7618 19.5953 60.7455 -23.2025 -47.7618 -23.2025 0.558232 GPRESSAVG: 1973000 -50.1048 17.7443 -48.6738 21.1008 62.8896 -24.3759 -48.4631 -21.6544 -0.510136 TIMING: 1973000 CPU: 6164.63, 0.00309921/step Wall: 6164.63, 0.00309921/step, 2.60592 hours remaining, 234.304688 MB of memory in use. ENERGY: 1973000 3940.9081 20574.6603 14395.1205 252.5155 -202766.8068 2516.6809 0.0000 0.0000 52095.4259 -108991.4956 299.3931 -161086.9215 -108621.1753 299.6768 29.2327 52.8706 763312.8711 3.9219 4.0915 PRESSURE: 1973200 -293.713 -19.3886 -34.0188 -19.3886 5.65269 87.6737 -34.0191 87.673 59.9503 GPRESSURE: 1973200 -169.822 -103.091 -50.3625 54.2782 -47.5039 -5.35642 -83.9782 -8.83586 65.4126 PRESSAVG: 1973200 -53.1714 -5.48669 13.5751 -5.48672 58.989 -2.1106 13.5751 -2.11065 -3.25734 GPRESSAVG: 1973200 -53.2853 -6.20217 14.578 -4.67944 57.7253 -1.66359 10.8871 -4.55338 -1.69942 TIMING: 1973200 CPU: 6165.25, 0.00310615/step Wall: 6165.25, 0.00310615/step, 2.61158 hours remaining, 234.304688 MB of memory in use. ENERGY: 1973200 4034.9860 20573.0151 14413.3412 236.6171 -203270.6766 2994.3229 0.0000 0.0000 52164.4440 -108853.9502 299.7898 -161018.3942 -108500.6096 300.0595 -76.0367 -50.6379 763688.6203 0.8534 0.9135 PRESSURE: 1973400 -403.073 259.864 -73.1102 259.864 -145.405 -126.89 -73.1102 -126.891 34.5008 GPRESSURE: 1973400 -283.655 187.714 -111.488 416.222 -158.625 -147.988 -153.154 69.5886 17.9076 PRESSAVG: 1973400 -68.4885 40.911 -1.01494 40.911 79.2869 -5.49563 -1.01497 -5.49556 12.2046 GPRESSAVG: 1973400 -67.5782 42.7941 -0.521962 40.9573 78.307 -5.00533 0.281035 -3.82285 12.0289 TIMING: 1973400 CPU: 6165.87, 0.0031/step Wall: 6165.87, 0.0031/step, 2.60624 hours remaining, 234.304688 MB of memory in use. ENERGY: 1973400 4045.5857 20632.0919 14519.4002 237.3894 -203046.7290 2704.6601 0.0000 0.0000 52184.5996 -108723.0021 299.9056 -160907.6017 -108364.0932 300.3952 -171.3257 -141.4574 764680.4378 7.6677 7.5859 PRESSURE: 1973600 -39.8993 -63.0373 87.3242 -63.0375 40.6203 -82.5402 87.3242 -82.5396 288.627 GPRESSURE: 1973600 -2.97351 -38.0566 59.3715 -2.60473 113.133 -52.8862 71.8002 -101.053 277.865 PRESSAVG: 1973600 -33.8967 55.7432 -18.7319 55.7432 51.4735 -14.9855 -18.732 -14.9855 -0.710399 GPRESSAVG: 1973600 -34.0434 54.7512 -20.8714 54.9324 52.7593 -14.1419 -17.6608 -15.6224 -1.59469 TIMING: 1973600 CPU: 6166.49, 0.00311156/step Wall: 6166.49, 0.00311156/step, 2.61579 hours remaining, 234.304688 MB of memory in use. ENERGY: 1973600 3959.7254 20464.9653 14542.8998 252.3427 -203140.0036 2689.0181 0.0000 0.0000 52377.8562 -108853.1960 301.0163 -161231.0522 -108476.5413 300.1017 96.4495 129.3415 762318.0483 5.6221 5.7071 PRESSURE: 1973800 -72.9471 -64.2724 -93.1264 -64.2719 -2.4549 -132.149 -93.1261 -132.149 268.595 GPRESSURE: 1973800 -10.0949 -10.0581 -103.208 -83.7824 23.8606 -135.902 1.74595 -193.822 240.156 PRESSAVG: 1973800 -65.4686 47.1393 -1.5565 47.1393 88.466 -43.357 -1.55654 -43.3571 -5.74973 GPRESSAVG: 1973800 -65.2305 46.895 -0.0473199 46.6432 88.0107 -43.0946 -1.39744 -45.1467 -5.67449 TIMING: 1973800 CPU: 6167.11, 0.00311138/step Wall: 6167.11, 0.00311138/step, 2.61546 hours remaining, 234.304688 MB of memory in use. ENERGY: 1973800 3980.5358 20424.9015 14521.9442 247.0538 -202732.5490 2527.7527 0.0000 0.0000 51937.0820 -109093.2790 298.4831 -161030.3611 -108729.1821 299.9245 64.3977 84.6406 763461.1498 5.7492 5.7019 PRESSURE: 1974000 61.9434 140.306 -189.117 140.306 38.1742 -131.422 -189.116 -131.422 404.548 GPRESSURE: 1974000 107.564 164.712 -204.542 142.05 48.6906 -185.308 -77.1373 -158.641 414.922 PRESSAVG: 1974000 -62.8138 27.2932 -19.6083 27.2933 17.4304 -32.1005 -19.6083 -32.1004 -0.90265 GPRESSAVG: 1974000 -62.2198 28.8567 -20.3738 27.8385 17.9011 -34.2489 -19.2983 -28.5482 -1.86586 TIMING: 1974000 CPU: 6167.74, 0.00311518/step Wall: 6167.74, 0.00311518/step, 2.61848 hours remaining, 234.304688 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: 1974000 3907.6639 20457.1434 14467.3834 257.1166 -202999.3842 2600.5665 0.0000 0.0000 52103.8112 -109205.6992 299.4413 -161309.5104 -108856.4352 298.6563 168.2218 190.3920 763741.4620 -15.4287 -15.3949 PRESSURE: 1974200 11.3922 73.6251 -123.6 73.6237 -68.2647 36.6717 -123.6 36.6718 116.982 GPRESSURE: 1974200 -51.9182 -8.2527 -88.65 58.4189 55.1386 22.1368 21.3687 75.926 143.557 PRESSAVG: 1974200 -13.5756 31.8928 -77.9729 31.8927 13.0375 45.1075 -77.9728 45.1076 -12.9949 GPRESSAVG: 1974200 -14.5553 34.3526 -76.5747 30.4466 12.6898 47.1529 -77.5529 42.125 -11.3037 TIMING: 1974200 CPU: 6168.36, 0.00311685/step Wall: 6168.36, 0.00311685/step, 2.61971 hours remaining, 234.304688 MB of memory in use. ENERGY: 1974200 3867.0927 20407.0957 14493.6838 251.3523 -202939.4247 2774.8743 0.0000 0.0000 51966.5219 -109178.8039 298.6523 -161145.3259 -108819.4032 298.4232 20.0363 48.9257 764134.8551 -4.5110 -4.3897 PRESSURE: 1974400 -281.431 -142.852 35.3646 -142.851 32.5099 38.8936 35.3637 38.8938 -76.4319 GPRESSURE: 1974400 -234.173 -142.692 56.7679 -190.644 -43.1989 52.6471 27.5544 42.5839 42.7849 PRESSAVG: 1974400 -18.2215 -6.47546 -38.0076 -6.4755 12.4209 -50.5683 -38.0076 -50.5683 7.48533 GPRESSAVG: 1974400 -16.8996 -10.1015 -38.612 -6.37262 12.4795 -52.2562 -38.9049 -49.5252 6.80707 TIMING: 1974400 CPU: 6168.98, 0.00310703/step Wall: 6168.98, 0.00310703/step, 2.61128 hours remaining, 234.304688 MB of memory in use. ENERGY: 1974400 3956.1382 20346.9428 14470.8442 265.1702 -202895.7195 2690.0381 0.0000 0.0000 51997.6733 -109168.9127 298.8313 -161166.5860 -108802.6763 298.2671 -108.4510 -78.1955 764866.2939 0.5616 0.7957 PRESSURE: 1974600 245.945 -272.747 35.478 -272.748 4.31676 117.119 35.4796 117.119 -187.648 GPRESSURE: 1974600 249.79 -197.649 55.2633 -238 7.59673 129.359 90.6468 102.524 -101.796 PRESSAVG: 1974600 18.1776 -10.6206 14.9073 -10.6206 -18.5166 -13.1845 14.9073 -13.1846 11.2679 GPRESSAVG: 1974600 18.6876 -8.87403 14.9508 -7.3249 -19.3587 -12.4173 14.5416 -13.8281 11.6638 TIMING: 1974600 CPU: 6169.61, 0.00313067/step Wall: 6169.61, 0.00313067/step, 2.63098 hours remaining, 234.304688 MB of memory in use. ENERGY: 1974600 3953.8486 20553.4698 14455.4149 233.9623 -202837.7401 2652.0338 0.0000 0.0000 51908.8872 -109080.1235 298.3211 -160989.0107 -108724.8169 299.2461 20.8713 51.8637 766430.1004 3.6430 3.6642 PRESSURE: 1974800 -173.715 -95.0652 287.181 -95.0652 226.756 -91.2129 287.181 -91.2119 49.6716 GPRESSURE: 1974800 -152.633 -163.011 289.2 -129.911 259.287 -70.5137 132.159 -98.0496 82.2579 PRESSAVG: 1974800 -21.3544 -33.1735 53.4655 -33.1735 40.183 12.3076 53.4655 12.3077 -6.91026 GPRESSAVG: 1974800 -22.7784 -32.8674 53.2983 -33.545 41.9285 11.7932 53.5216 15.5305 -7.28695 TIMING: 1974800 CPU: 6170.23, 0.00312432/step Wall: 6170.23, 0.00312432/step, 2.62547 hours remaining, 234.304688 MB of memory in use. ENERGY: 1974800 3915.2484 20561.3866 14500.0415 234.8841 -203106.2625 2762.7867 0.0000 0.0000 51903.1705 -109228.7447 298.2882 -161131.9152 -108865.3166 299.2172 34.2376 62.9706 762339.3534 3.9728 3.9544 PRESSURE: 1975000 332.165 -3.23059 -33.7977 -3.23018 355.102 -156.806 -33.7979 -156.807 -216.286 GPRESSURE: 1975000 290.369 -52.4995 -35.0785 -61.116 331.711 -232.487 -70.6222 -6.85192 -87.5643 PRESSAVG: 1975000 -26.86 -5.00714 15.7876 -5.00718 35.4115 18.0032 15.7876 18.0032 -13.4198 GPRESSAVG: 1975000 -26.3711 -5.23499 15.3342 -7.09757 34.214 19.2769 16.3535 15.9309 -12.3923 TIMING: 1975000 CPU: 6170.86, 0.00310919/step Wall: 6170.86, 0.0031092/step, 2.61259 hours remaining, 234.304688 MB of memory in use. ENERGY: 1975000 3951.3141 20624.2944 14441.8870 261.9227 -203123.1898 2752.3630 0.0000 0.0000 51930.1618 -109161.2469 298.4434 -161091.4087 -108805.8335 298.9400 156.9936 178.1719 764500.8798 -1.6228 -1.5165 PRESSURE: 1975200 -287.419 93.2123 -190.786 93.2115 -115.917 84.3036 -190.786 84.3032 74.8141 GPRESSURE: 1975200 -206.836 -26.1397 -149.523 246.579 -3.19177 86.8935 -36.9587 45.3329 -34.9271 PRESSAVG: 1975200 -41.2568 7.6594 4.72416 7.65943 78.2992 -7.24916 4.72415 -7.24916 23.2789 GPRESSAVG: 1975200 -40.8346 7.02237 5.74619 8.97242 78.9722 -7.07833 5.72571 -6.16717 22.6851 TIMING: 1975200 CPU: 6171.48, 0.00312196/step Wall: 6171.48, 0.00312196/step, 2.62314 hours remaining, 234.304688 MB of memory in use. ENERGY: 1975200 3972.1393 20446.7653 14344.3927 248.1336 -202679.6281 2458.2839 0.0000 0.0000 52198.6041 -109011.3092 299.9861 -161209.9133 -108643.1667 299.2056 -109.5074 -81.6517 763912.4764 20.1071 20.2742 PRESSURE: 1975400 97.5879 -135.745 -61.2469 -135.744 -314.94 -28.074 -61.2471 -28.0738 -384.552 GPRESSURE: 1975400 108.667 -150.634 29.5204 -145.582 -211.452 -45.6762 -128.507 7.69447 -399.426 PRESSAVG: 1975400 47.6937 11.1016 -15.4957 11.1017 22.4344 -21.9399 -15.4957 -21.9399 -9.161 GPRESSAVG: 1975400 47.7722 10.1699 -15.5191 12.0709 22.5029 -21.5503 -14.8268 -22.624 -9.44151 TIMING: 1975400 CPU: 6172.11, 0.00313135/step Wall: 6172.11, 0.00313135/step, 2.63086 hours remaining, 234.304688 MB of memory in use. ENERGY: 1975400 4026.9147 20438.0284 14510.4412 229.6859 -203310.0286 2901.9281 0.0000 0.0000 52140.3995 -109062.6308 299.6516 -161203.0302 -108703.6215 299.2808 -200.6347 -167.4039 762540.1220 20.3224 20.2779 PRESSURE: 1975600 -337.233 -108.097 -101.771 -108.096 -470.126 -16.5468 -101.772 -16.5478 -158.3 GPRESSURE: 1975600 -360.74 -107.187 -100.743 -35.2494 -402.87 98.9841 -103.406 19.7379 -98.7484 PRESSAVG: 1975600 -0.290662 32.4336 12.9137 32.4336 9.13746 12.691 12.9137 12.6911 -1.92393 GPRESSAVG: 1975600 -1.79764 33.3561 13.9559 30.9173 9.64297 11.8506 8.91437 13.065 -1.15672 TIMING: 1975600 CPU: 6172.73, 0.00311166/step Wall: 6172.73, 0.00311166/step, 2.61414 hours remaining, 234.304688 MB of memory in use. ENERGY: 1975600 3994.5220 20598.0449 14413.3846 240.0706 -202649.7934 2415.6034 0.0000 0.0000 52068.3665 -108919.8015 299.2376 -160988.1679 -108568.6343 299.3097 -321.8863 -287.4528 764678.1467 2.3076 2.2295 PRESSURE: 1975800 219.51 -145.507 -48.5723 -145.507 65.8184 60.3825 -48.5719 60.3838 207.625 GPRESSURE: 1975800 188.177 -88.742 31.2379 -152.802 174.901 125.272 -121.734 30.6538 215.02 PRESSAVG: 1975800 -25.5849 5.91649 0.275817 5.91652 41.2901 -10.8609 0.275897 -10.8608 7.79938 GPRESSAVG: 1975800 -25.4946 6.65383 -1.02139 7.30925 40.6085 -9.44192 1.95823 -11.1461 8.81583 TIMING: 1975800 CPU: 6173.35, 0.00312108/step Wall: 6173.35, 0.00312108/step, 2.62188 hours remaining, 234.304688 MB of memory in use. ENERGY: 1975800 3983.9114 20515.2010 14480.2344 256.2428 -202982.8686 2732.5347 0.0000 0.0000 52181.0268 -108833.7175 299.8851 -161014.7443 -108461.6575 299.7419 164.3179 192.6994 764595.6461 7.8349 7.9766 PRESSURE: 1976000 -499.818 88.6362 21.165 88.6368 322.542 -12.9878 21.1648 -12.9885 231.354 GPRESSURE: 1976000 -365.631 62.1705 16.0668 31.6637 396.465 -154.007 70.0127 103.421 132.984 PRESSAVG: 1976000 43.0504 18.7903 -31.1186 18.7903 -7.2272 -1.37408 -31.1185 -1.37401 9.47718 GPRESSAVG: 1976000 44.0688 17.9811 -32.3193 17.4696 -6.19293 -2.41396 -32.2926 -2.12867 7.36517 TIMING: 1976000 CPU: 6173.98, 0.00312704/step Wall: 6173.98, 0.00312704/step, 2.62671 hours remaining, 234.304688 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: 1976000 4011.1929 20396.7499 14455.0812 272.5605 -202717.1091 2558.2810 0.0000 0.0000 52067.9197 -108955.3238 299.2351 -161023.2435 -108593.8236 299.9631 18.0259 54.6061 763115.5316 15.1001 15.0804 PRESSURE: 1976200 -162.903 32.1341 -308.63 32.1346 191.844 -97.4058 -308.63 -97.4068 -205.917 GPRESSURE: 1976200 -106.417 42.636 -301.985 -35.3054 195.844 -220.007 -353.132 39.4723 -183.629 PRESSAVG: 1976200 -35.1337 39.7541 -73.8426 39.7541 64.416 -15.7454 -73.8425 -15.7454 11.6998 GPRESSAVG: 1976200 -35.8926 40.4249 -72.6869 39.5936 63.2299 -16.1704 -73.1031 -14.4032 13.7408 TIMING: 1976200 CPU: 6174.6, 0.00311713/step Wall: 6174.6, 0.00311713/step, 2.61822 hours remaining, 234.304688 MB of memory in use. ENERGY: 1976200 3975.2615 20475.5724 14399.8922 251.2005 -202542.8448 2456.7325 0.0000 0.0000 51930.6639 -109053.5218 298.4462 -160984.1858 -108695.8637 299.3614 -58.9916 -31.4006 764010.4862 13.6607 13.6927 LDB: ============= START OF LOAD BALANCING ============== 6187.08 LDB: ============== END OF LOAD BALANCING =============== 6187.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6187.08 LDB: ============= START OF LOAD BALANCING ============== 6187.39 LDB: Largest compute 7007 load 0.031258 is 16.0% of average load 0.195032 LDB: Average compute 0.004424 is 2.3% of average load 0.195032 LDB: TIME 6187.4 LOAD: AVG 0.195032 MAX 0.216328 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.188 MB LDB: TIME 6187.4 LOAD: AVG 0.195032 MAX 0.216328 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.188 MB LDB: TIME 6187.4 LOAD: AVG 0.195032 MAX 0.216328 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.188 MB LDB: ============== END OF LOAD BALANCING =============== 6187.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6187.4 PRESSURE: 1976400 -223.942 -65.4005 254.974 -65.3993 66.5668 47.1672 254.974 47.1683 347.459 GPRESSURE: 1976400 -155.024 -3.38664 281.982 -91.9433 66.8484 34.668 118.047 95.4945 370.482 PRESSAVG: 1976400 -45.7612 -4.18163 13.3996 -4.18152 16.5653 -5.32633 13.3996 -5.32634 13.6496 GPRESSAVG: 1976400 -43.8879 -5.24594 12.9723 -2.58369 16.701 -4.82517 14.5459 -6.87582 11.6736 TIMING: 1976400 CPU: 6175.24, 0.00318215/step Wall: 6175.24, 0.00318215/step, 2.67266 hours remaining, 233.675781 MB of memory in use. ENERGY: 1976400 3893.1614 20438.3665 14469.8118 252.1980 -202866.3265 2591.4417 0.0000 0.0000 52226.2971 -108995.0499 300.1452 -161221.3471 -108634.8940 298.9956 63.3612 94.1022 763418.7035 -5.1821 -5.1711 PRESSURE: 1976600 51.3821 -211.538 -116.091 -211.537 141.089 78.3376 -116.092 78.3365 87.9817 GPRESSURE: 1976600 87.1164 -123.354 -165.351 -142.691 99.7867 72.5172 -169.037 86.3071 158.405 PRESSAVG: 1976600 -71.2462 -4.03649 -2.02161 -4.03651 25.927 -20.4457 -2.0216 -20.4458 -15.7821 GPRESSAVG: 1976600 -70.9683 -1.33574 -2.63259 -5.68869 25.8039 -18.4547 -2.72654 -21.5307 -15.4802 TIMING: 1976600 CPU: 6175.86, 0.00311474/step Wall: 6175.86, 0.00311474/step, 2.61587 hours remaining, 233.675781 MB of memory in use. ENERGY: 1976600 3972.9648 20497.0915 14532.9425 248.4100 -203314.6337 2973.4190 0.0000 0.0000 52019.1761 -109070.6297 298.9549 -161089.8059 -108726.0908 298.9123 93.4844 115.1026 763311.3769 -20.3671 -20.2149 PRESSURE: 1976800 -557.25 89.152 -112.341 89.1512 -108.368 420.828 -112.34 420.827 -412.457 GPRESSURE: 1976800 -493.001 135.067 -98.0691 121.744 -44.791 412.748 -57.9449 404.219 -467.432 PRESSAVG: 1976800 -27.6307 -33.7066 -2.6154 -33.7067 -7.60283 -27.078 -2.61537 -27.0779 -4.80655 GPRESSAVG: 1976800 -28.3578 -35.6442 -1.72591 -31.9258 -6.33948 -28.7511 -2.34319 -25.4767 -5.28546 TIMING: 1976800 CPU: 6176.48, 0.00311404/step Wall: 6176.48, 0.00311404/step, 2.6151 hours remaining, 233.675781 MB of memory in use. ENERGY: 1976800 4019.3783 20352.8257 14548.8509 243.2623 -202686.4141 2533.9777 0.0000 0.0000 52002.2493 -108985.8699 298.8576 -160988.1192 -108622.0078 299.0388 -359.3584 -335.0748 764228.4918 -13.3467 -13.3276 PRESSURE: 1977000 -18.1263 47.5685 -211.801 47.5675 -243.094 82.9194 -211.801 82.9186 -48.5805 GPRESSURE: 1977000 -1.57486 54.1272 -213.814 51.3255 -168.868 115.318 -257.473 107.838 -56.1363 PRESSAVG: 1977000 11.6563 1.17118 -15.9363 1.17111 45.4169 43.3328 -15.9363 43.3328 -7.01594 GPRESSAVG: 1977000 12.0202 -0.606125 -16.4308 0.812926 44.7349 45.3802 -17.6195 41.9477 -6.66676 TIMING: 1977000 CPU: 6177.11, 0.00312831/step Wall: 6177.11, 0.00312831/step, 2.62691 hours remaining, 233.675781 MB of memory in use. ENERGY: 1977000 3968.9275 20209.4482 14543.6673 261.8058 -202988.9928 2898.5800 0.0000 0.0000 52084.5931 -109021.9708 299.3309 -161106.5639 -108658.5885 299.0083 -103.2670 -75.5263 763902.9932 16.6858 16.6961 PRESSURE: 1977200 -235.028 166.6 -77.873 166.6 28.1098 -34.7318 -77.8735 -34.7313 -118.718 GPRESSURE: 1977200 -135.623 179.99 -98.0004 228.098 5.51296 4.0402 6.02224 77.0853 -111.346 PRESSAVG: 1977200 4.05306 -4.51948 -28.6512 -4.51948 -15.4083 8.93404 -28.6512 8.93401 -10.6342 GPRESSAVG: 1977200 3.1561 -0.913147 -27.9842 -4.61844 -16.2312 7.10917 -26.7259 11.3 -9.31204 TIMING: 1977200 CPU: 6177.73, 0.00311648/step Wall: 6177.73, 0.00311648/step, 2.6168 hours remaining, 233.675781 MB of memory in use. ENERGY: 1977200 3991.4419 20424.7241 14508.5981 260.5621 -203155.4796 2770.0159 0.0000 0.0000 52174.5027 -109025.6349 299.8476 -161200.1376 -108657.8383 299.2417 -108.5454 -80.4853 763325.0676 -7.3298 -7.4624 PRESSURE: 1977400 214.209 41.1489 -28.1896 41.1477 394.373 -159.946 -28.1896 -159.946 -51.2926 GPRESSURE: 1977400 219.537 -43.705 -74.9451 -24.9202 483.928 -167.12 177.125 -166.375 -59.0367 PRESSAVG: 1977400 -48.1774 -4.55438 34.1148 -4.55444 58.0205 -26.3462 34.1148 -26.3463 -18.4902 GPRESSAVG: 1977400 -47.7943 -7.5245 32.6687 -5.2247 57.904 -27.2247 35.8586 -28.3191 -19.5199 TIMING: 1977400 CPU: 6178.36, 0.00311664/step Wall: 6178.36, 0.00311664/step, 2.61676 hours remaining, 233.675781 MB of memory in use. ENERGY: 1977400 4001.6752 20347.2145 14515.1673 243.8253 -203332.6495 2977.9044 0.0000 0.0000 52071.5927 -109175.2702 299.2562 -161246.8629 -108821.9714 299.2971 185.7634 214.8093 762920.5021 -2.8823 -3.1367 PRESSURE: 1977600 84.2878 -61.4719 101.674 -61.4719 -128.205 161.225 101.674 161.225 166.052 GPRESSURE: 1977600 82.8994 -141.858 174.134 -69.2405 -102.311 112.031 -96.6882 139.148 234.335 PRESSAVG: 1977600 -36.033 -1.55886 37.2022 -1.55878 48.2948 3.3917 37.2022 3.39171 2.54312 GPRESSAVG: 1977600 -35.7514 -3.00048 39.0501 -0.411482 48.3228 2.32369 35.8746 4.75435 2.02515 TIMING: 1977600 CPU: 6178.98, 0.00312625/step Wall: 6178.98, 0.00312625/step, 2.62466 hours remaining, 233.675781 MB of memory in use. ENERGY: 1977600 4047.5710 20306.0384 14480.1094 269.2798 -202765.8749 2755.3469 0.0000 0.0000 51917.2434 -108990.2861 298.3691 -160907.5295 -108626.5034 299.3069 40.7115 71.6413 765499.3965 4.9350 4.8655 PRESSURE: 1977800 -56.1482 -147.669 119.482 -147.669 451.783 30.8472 119.483 30.8475 -94.1438 GPRESSURE: 1977800 20.5466 -251.098 78.4096 -287.614 445.333 108.14 60.3329 -14.7052 -83.1339 PRESSAVG: 1977800 -32.2581 28.1862 -26.5466 28.1863 57.2532 49.3488 -26.5466 49.3489 -16.2679 GPRESSAVG: 1977800 -32.7668 30.472 -28.4982 26.9317 57.0885 50.8772 -25.4855 47.5012 -15.2805 TIMING: 1977800 CPU: 6179.61, 0.00312258/step Wall: 6179.61, 0.00312258/step, 2.62141 hours remaining, 233.675781 MB of memory in use. ENERGY: 1977800 4001.5211 20356.9845 14443.8398 222.6340 -203301.0587 3016.7989 0.0000 0.0000 51995.0306 -109264.2498 298.8162 -161259.2804 -108899.8781 298.6130 100.4971 127.5819 763426.7201 2.9091 3.0137 PRESSURE: 1978000 -107.615 -192.099 200.085 -192.1 -304.055 -11.1526 200.085 -11.1518 -162.361 GPRESSURE: 1978000 -55.9059 -257.143 207.186 -137.321 -226.703 60.847 283.763 -171.098 -220.182 PRESSAVG: 1978000 -73.9636 -29.7584 -2.58736 -29.7584 70.2169 62.6245 -2.58734 62.6245 17.2834 GPRESSAVG: 1978000 -73.5364 -30.4527 -1.3678 -30.7538 70.9241 62.9115 -3.36435 61.3831 15.8558 TIMING: 1978000 CPU: 6180.23, 0.00312735/step Wall: 6180.23, 0.00312735/step, 2.62524 hours remaining, 233.675781 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: 1978000 3997.0692 20520.7471 14551.2526 242.9912 -203232.9029 2544.9788 0.0000 0.0000 51991.7556 -109384.1085 298.7973 -161375.8640 -109029.0449 298.4830 -191.3433 -167.5970 764005.0908 4.5122 4.4145 PRESSURE: 1978200 142.499 50.0071 -8.35406 50.0067 656.117 -25.5681 -8.3538 -25.5696 371.378 GPRESSURE: 1978200 271.329 3.75499 -0.657904 43.2698 575.294 2.47039 11.6402 20.4314 422.777 PRESSAVG: 1978200 -74.5884 -2.25812 -1.95208 -2.25815 40.5653 -32.1893 -1.95213 -32.1893 -28.6798 GPRESSAVG: 1978200 -75.2635 -2.58332 -1.45444 -1.92958 39.1041 -33.5141 -4.10667 -30.3097 -26.7024 TIMING: 1978200 CPU: 6180.86, 0.00312765/step Wall: 6180.86, 0.00312765/step, 2.62531 hours remaining, 233.675781 MB of memory in use. ENERGY: 1978200 3969.1320 20342.0046 14403.8435 258.3933 -203554.7113 3102.8185 0.0000 0.0000 52065.2815 -109413.2380 299.2199 -161478.5194 -109054.2640 297.8761 389.9980 423.1334 763563.9998 -20.9009 -20.9539 PRESSURE: 1978400 95.1183 117.03 7.66046 117.03 -127.618 188.808 7.66056 188.809 463.119 GPRESSURE: 1978400 59.9843 5.77082 108.664 114.168 -72.7421 82.0557 42.9699 370.816 532.648 PRESSAVG: 1978400 -27.9499 -1.31972 78.79 -1.31971 27.686 19.8623 78.79 19.8624 -4.84005 GPRESSAVG: 1978400 -28.6123 -1.35308 78.5757 -1.55948 28.7503 21.4043 79.0966 19.4192 -5.52991 TIMING: 1978400 CPU: 6181.48, 0.0031346/step Wall: 6181.48, 0.0031346/step, 2.63097 hours remaining, 233.675781 MB of memory in use. ENERGY: 1978400 3886.9891 20381.0347 14447.7592 249.0266 -203774.0561 3184.6613 0.0000 0.0000 52010.8416 -109613.7437 298.9070 -161624.5852 -109261.9677 298.1392 143.5399 173.2969 763383.3720 -1.7013 -1.7973 PRESSURE: 1978600 -179.332 9.26229 80.6128 9.26238 203.071 -35.875 80.6127 -35.8748 -81.2081 GPRESSURE: 1978600 -129.709 8.89066 -41.3932 76.2137 280.028 -19.7373 90.2238 -14.7179 -123.016 PRESSAVG: 1978600 -44.3018 -23.0568 58.1045 -23.0569 84.9997 48.3528 58.1045 48.3528 -9.18594 GPRESSAVG: 1978600 -43.3974 -21.4914 58.4267 -23.1513 84.1959 47.8066 59.1327 50.2095 -9.29178 TIMING: 1978600 CPU: 6182.11, 0.00311435/step Wall: 6182.11, 0.00311435/step, 2.61381 hours remaining, 233.675781 MB of memory in use. ENERGY: 1978600 3904.1980 20398.2697 14481.5130 254.1599 -203486.6916 2849.8531 0.0000 0.0000 51881.5707 -109717.1271 298.1641 -161598.6979 -109360.9798 297.7850 -19.1566 9.1010 761321.0505 10.5040 10.5023 PRESSURE: 1978800 -86.8764 78.2779 143.739 78.2785 -218.891 -153.627 143.739 -153.627 179.521 GPRESSURE: 1978800 -33.8784 45.6002 151.953 191.805 -221.207 -253.166 86.8751 -169.22 221.845 PRESSAVG: 1978800 -40.6014 20.122 19.7317 20.122 18.692 31.5467 19.7318 31.5468 29.3897 GPRESSAVG: 1978800 -41.9168 19.3528 18.0097 19.3457 20.6079 32.7943 22.1156 30.9565 28.9917 TIMING: 1978800 CPU: 6182.73, 0.00312105/step Wall: 6182.73, 0.00312105/step, 2.61925 hours remaining, 233.675781 MB of memory in use. ENERGY: 1978800 3978.1869 20559.8061 14477.0674 236.2029 -203623.3891 2947.4671 0.0000 0.0000 51912.0800 -109512.5788 298.3394 -161424.6588 -109168.9582 298.2796 -42.0824 -11.0801 761614.8801 2.4934 2.5609 PRESSURE: 1979000 -457.291 257.93 -3.18057 257.931 143.722 -5.48147 -3.18046 -5.48134 -43.0533 GPRESSURE: 1979000 -549.768 259.708 -15.7796 218.437 187.694 -9.82131 94.8348 -47.2499 88.144 PRESSAVG: 1979000 -73.7971 15.9809 -6.98513 15.9808 92.3107 36.4643 -6.98506 36.4643 -2.85647 GPRESSAVG: 1979000 -72.8392 16.1857 -4.01797 18.2056 90.0962 36.9234 -8.69035 36.4039 -1.47217 TIMING: 1979000 CPU: 6183.36, 0.00312413/step Wall: 6183.36, 0.00312413/step, 2.62167 hours remaining, 233.675781 MB of memory in use. ENERGY: 1979000 3959.1534 20378.7222 14506.8342 254.2639 -203114.4434 2580.9519 0.0000 0.0000 51757.4454 -109677.0724 297.4508 -161434.5178 -109312.8338 298.1337 -118.8742 -91.3100 761647.0286 5.2191 5.2616 PRESSURE: 1979200 -118.246 -59.2392 -98.5903 -59.2397 129.24 -7.7576 -98.5909 -7.75838 -342.227 GPRESSURE: 1979200 -73.9232 -158.161 -48.4558 60.1874 168.052 -1.80902 3.7572 -23.1428 -339.523 PRESSAVG: 1979200 -42.9145 32.5551 6.99305 32.5551 99.2931 33.5267 6.99311 33.5267 7.89886 GPRESSAVG: 1979200 -42.8911 32.9363 5.66537 31.938 100.421 33.4639 8.00144 32.669 6.41954 TIMING: 1979200 CPU: 6183.98, 0.00313167/step Wall: 6183.98, 0.00313167/step, 2.62782 hours remaining, 233.675781 MB of memory in use. ENERGY: 1979200 3903.6570 20313.0255 14493.3779 247.3008 -203323.8204 2724.0404 0.0000 0.0000 51813.3075 -109829.1112 297.7718 -161642.4187 -109468.5977 298.0442 -110.4111 -81.7979 762118.6155 21.4258 21.3166 PRESSURE: 1979400 26.4984 -267.287 -3.45211 -267.287 -75.3177 30.7485 -3.45275 30.7476 473.909 GPRESSURE: 1979400 -2.06397 -236.46 -0.901271 -286.56 34.904 11.1985 -166.928 -124.95 481.346 PRESSAVG: 1979400 24.835 35.741 -52.1579 35.741 29.6054 34.6135 -52.1579 34.6135 -11.0808 GPRESSAVG: 1979400 23.9258 35.6929 -51.3648 36.2331 29.5939 32.6887 -54.8268 34.8009 -9.94628 TIMING: 1979400 CPU: 6184.61, 0.00311792/step Wall: 6184.61, 0.00311792/step, 2.61611 hours remaining, 233.675781 MB of memory in use. ENERGY: 1979400 3903.7482 20348.4906 14422.4466 239.8069 -203764.0471 3065.1098 0.0000 0.0000 51877.8663 -109906.5787 298.1428 -161784.4450 -109545.3435 297.4744 141.6967 171.3952 763380.0331 14.4532 14.5245 PRESSURE: 1979600 39.9574 166.988 16.7451 166.988 2.19648 -247.323 16.7456 -247.322 -81.4483 GPRESSURE: 1979600 69.1414 192.823 34.9675 198.877 44.5956 -218.052 -90.0332 -103.657 -82.1175 PRESSAVG: 1979600 -49.7541 -7.6221 -46.2974 -7.6221 12.065 28.7253 -46.2974 28.7254 -9.12813 GPRESSAVG: 1979600 -48.316 -8.05219 -47.5736 -9.20248 11.4408 29.1973 -45.6728 31.1493 -9.85617 TIMING: 1979600 CPU: 6185.23, 0.00312347/step Wall: 6185.23, 0.00312347/step, 2.62059 hours remaining, 233.675781 MB of memory in use. ENERGY: 1979600 3964.7978 20467.4781 14439.9722 227.0374 -203430.6061 2792.4564 0.0000 0.0000 51622.1631 -109916.7012 296.6733 -161538.8643 -109561.5024 297.3704 -13.0981 10.5398 762550.1041 -15.6057 -15.5771 PRESSURE: 1979800 71.7345 76.418 -293.784 76.4178 -144.511 -3.97369 -293.784 -3.97493 -107.615 GPRESSURE: 1979800 63.6276 35.717 -242.024 12.9195 -98.2099 -27.8995 -111.316 8.99794 -77.2209 PRESSAVG: 1979800 5.27048 33.5826 -37.0084 33.5826 9.57063 -9.64337 -37.0085 -9.64337 -1.17111 GPRESSAVG: 1979800 5.77075 32.9952 -37.3921 33.9862 7.77715 -8.44226 -36.3563 -9.58071 0.187939 TIMING: 1979800 CPU: 6185.85, 0.00310193/step Wall: 6185.85, 0.00310193/step, 2.60235 hours remaining, 233.675781 MB of memory in use. ENERGY: 1979800 3965.6678 20381.1627 14498.2501 253.3048 -203415.9396 2769.8061 0.0000 0.0000 51805.4924 -109742.2557 297.7269 -161547.7481 -109377.0369 297.6813 -60.1306 -37.2677 761581.5305 4.5567 4.5786 PRESSURE: 1980000 185.468 121.829 152.391 121.829 75.6848 -68.2924 152.391 -68.2917 329.632 GPRESSURE: 1980000 222.696 75.5921 241.207 103.666 106.528 -134.364 108.677 -154.183 353.334 PRESSAVG: 1980000 -30.0498 25.1537 36.539 25.1537 59.944 16.7943 36.539 16.7943 3.69038 GPRESSAVG: 1980000 -31.389 24.9594 37.6779 25.9714 61.7429 15.9525 36.3032 16.4229 2.95511 TIMING: 1980000 CPU: 6186.47, 0.0031152/step Wall: 6186.47, 0.0031152/step, 2.61331 hours remaining, 233.675781 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: 1980000 3894.5153 20306.9085 14398.0964 264.8178 -203727.3985 3005.7685 0.0000 0.0000 51940.7661 -109916.5258 298.5043 -161857.2919 -109553.6931 297.4149 196.9280 227.5189 761760.5143 11.1949 11.1030 PRESSURE: 1980200 8.55168 64.4371 -0.359601 64.4374 31.9799 -233.273 -0.359206 -233.272 295.629 GPRESSURE: 1980200 92.855 84.747 8.84437 90.1024 83.8327 -191.883 40.7042 -187.497 237.255 PRESSAVG: 1980200 12.8665 -61.5865 -11.8557 -61.5865 11.15 28.3663 -11.8558 28.3664 -15.5218 GPRESSAVG: 1980200 12.2778 -59.6838 -13.2798 -63.6456 12.6326 27.5911 -10.8874 27.4098 -16.524 TIMING: 1980200 CPU: 6187.1, 0.0031086/step Wall: 6187.1, 0.0031086/step, 2.6076 hours remaining, 233.675781 MB of memory in use. ENERGY: 1980200 3951.7369 20363.3433 14378.2071 231.6003 -203498.1024 2913.3730 0.0000 0.0000 51767.7352 -109892.1067 297.5099 -161659.8419 -109545.3925 297.6950 112.0536 137.9807 761054.2089 2.8316 2.7955 LDB: ============= START OF LOAD BALANCING ============== 6199.57 LDB: ============== END OF LOAD BALANCING =============== 6199.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6199.58 LDB: ============= START OF LOAD BALANCING ============== 6199.89 LDB: Largest compute 7007 load 0.029930 is 15.3% of average load 0.194996 LDB: Average compute 0.004399 is 2.3% of average load 0.194996 LDB: TIME 6199.89 LOAD: AVG 0.194996 MAX 0.213488 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.676 MB LDB: TIME 6199.89 LOAD: AVG 0.194996 MAX 0.213488 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.676 MB LDB: TIME 6199.89 LOAD: AVG 0.194996 MAX 0.213488 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.676 MB LDB: ============== END OF LOAD BALANCING =============== 6199.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6199.9 PRESSURE: 1980400 -291.136 -166.588 -190.014 -166.587 60.5357 69.2521 -190.014 69.2522 -127.895 GPRESSURE: 1980400 -226.426 -118.949 -109.33 -124.949 34.8417 15.5805 -248.863 182.002 -67.3619 PRESSAVG: 1980400 -15.5741 24.6428 -15.3586 24.6427 27.6472 -9.34248 -15.3587 -9.34254 7.36395 GPRESSAVG: 1980400 -14.1507 24.0941 -13.4185 25.6834 25.8776 -8.33553 -16.7131 -10.4519 8.0005 TIMING: 1980400 CPU: 6187.73, 0.00318989/step Wall: 6187.73, 0.00318989/step, 2.67561 hours remaining, 235.468750 MB of memory in use. ENERGY: 1980400 4049.5496 20274.6403 14432.5616 222.1377 -203700.5373 2808.7192 0.0000 0.0000 52031.4449 -109881.4839 299.0254 -161912.9288 -109508.5712 297.4989 -119.4983 -86.3154 762418.8024 6.4790 6.5758 PRESSURE: 1980600 -16.7581 198.848 -195.924 198.847 66.2034 161.397 -195.924 161.396 193.206 GPRESSURE: 1980600 85.8698 288.055 -216.895 168.784 47.5053 134.574 -94.6967 192.06 189.562 PRESSAVG: 1980600 -37.7494 -9.41848 -16.953 -9.41844 52.3007 53.1011 -16.953 53.1011 12.2983 GPRESSAVG: 1980600 -36.4387 -9.22512 -18.8326 -8.63108 51.8103 52.2213 -16.9187 54.2407 11.4239 TIMING: 1980600 CPU: 6188.36, 0.00312995/step Wall: 6188.36, 0.00312995/step, 2.62516 hours remaining, 235.667969 MB of memory in use. ENERGY: 1980600 3983.4424 20392.6753 14471.2866 219.9882 -203666.5743 2846.7792 0.0000 0.0000 51899.1005 -109853.3022 298.2648 -161752.4027 -109493.8428 297.7832 80.8837 107.6457 761172.7823 8.9499 8.9318 PRESSURE: 1980800 91.482 -206.277 -162.684 -206.277 88.024 48.9297 -162.684 48.9304 6.83296 GPRESSURE: 1980800 84.9236 -187.937 -187.758 -210.222 54.9899 65.4337 19.0646 -9.69147 127.691 PRESSAVG: 1980800 8.94196 -37.4389 53.3462 -37.4389 7.30643 -2.38771 53.3462 -2.38777 7.62416 GPRESSAVG: 1980800 7.6829 -37.5448 54.5546 -37.4208 6.71499 -3.32371 55.3849 -2.00385 9.39912 TIMING: 1980800 CPU: 6188.98, 0.00310892/step Wall: 6188.98, 0.00310892/step, 2.60735 hours remaining, 235.667969 MB of memory in use. ENERGY: 1980800 3996.4746 20425.3276 14421.8399 263.8888 -203755.3908 2958.6357 0.0000 0.0000 51795.4336 -109893.7906 297.6691 -161689.2242 -109537.8380 298.0029 62.1130 89.2016 761253.2456 7.9575 7.9323 PRESSURE: 1981000 -117.163 -144.825 115.068 -144.825 -262.28 173.671 115.068 173.671 -639.055 GPRESSURE: 1981000 -37.0141 -144.755 138.103 -94.527 -256.309 168.971 61.9269 385.083 -649.42 PRESSAVG: 1981000 4.9706 -36.8629 -6.44939 -36.8628 -37.5871 22.5972 -6.44938 22.5971 -13.2439 GPRESSAVG: 1981000 3.98436 -38.4318 -6.22359 -36.8451 -35.4809 23.2306 -6.60916 23.0222 -14.5135 TIMING: 1981000 CPU: 6189.6, 0.00310551/step Wall: 6189.6, 0.00310551/step, 2.60432 hours remaining, 235.667969 MB of memory in use. ENERGY: 1981000 4020.9752 20451.6468 14415.0522 234.8633 -203659.6931 2760.1794 0.0000 0.0000 51891.8312 -109885.1449 298.2231 -161776.9762 -109520.8491 297.5299 -339.4992 -314.2477 763181.8867 -15.2868 -15.3367 PRESSURE: 1981200 -10.7218 194.691 -123.035 194.691 -247.663 -161.945 -123.035 -161.947 8.3231 GPRESSURE: 1981200 24.3519 52.1464 -105.593 168.125 -304.94 -292.263 -14.3305 -187.367 102.317 PRESSAVG: 1981200 -15.5007 -11.6757 -25.6597 -11.6757 17.5621 22.8087 -25.6596 22.8087 7.99514 GPRESSAVG: 1981200 -15.2239 -11.0963 -26.2483 -12.5243 17.198 22.6341 -25.9381 21.6263 8.14941 TIMING: 1981200 CPU: 6190.22, 0.0031105/step Wall: 6190.22, 0.0031105/step, 2.60833 hours remaining, 235.667969 MB of memory in use. ENERGY: 1981200 3971.0200 20386.4614 14444.4859 247.3926 -203696.0143 2892.5646 0.0000 0.0000 51583.7221 -110170.3677 296.4524 -161754.0898 -109806.6458 297.5827 -83.3538 -59.4236 762625.2015 3.3522 3.3745 PRESSURE: 1981400 372.73 77.9797 -181.793 77.9793 229.267 55.0352 -181.793 55.0351 220.174 GPRESSURE: 1981400 429.892 32.4104 -194.121 83.0628 175.524 94.6382 -104.758 48.9808 300.016 PRESSAVG: 1981400 54.2608 41.7408 -8.0158 41.7408 -36.177 -1.20902 -8.01581 -1.20902 -5.25298 GPRESSAVG: 1981400 55.3583 41.9333 -8.30589 42.1507 -37.2896 -0.374333 -7.98558 -0.81566 -4.50825 TIMING: 1981400 CPU: 6190.85, 0.00311124/step Wall: 6190.85, 0.00311124/step, 2.60878 hours remaining, 235.667969 MB of memory in use. ENERGY: 1981400 3919.6519 20413.9543 14397.7484 260.0754 -203944.8237 2943.4101 0.0000 0.0000 51929.8034 -110080.1803 298.4413 -162009.9837 -109704.0619 297.2386 274.0570 301.8105 762054.4161 4.2769 4.5201 PRESSURE: 1981600 -47.889 -283.966 377.145 -283.965 250.617 38.2349 377.145 38.2343 -154.913 GPRESSURE: 1981600 -49.6192 -243.476 211.206 -224.17 292.882 61.3273 456.804 1.38483 -113.698 PRESSAVG: 1981600 -21.791 37.3476 -22.3381 37.3475 49.5053 13.348 -22.3382 13.348 -0.336392 GPRESSAVG: 1981600 -22.4834 38.2359 -22.6584 36.8056 50.1443 14.9394 -20.9079 12.7057 -0.132034 TIMING: 1981600 CPU: 6191.47, 0.00311131/step Wall: 6191.47, 0.00311131/step, 2.60866 hours remaining, 235.667969 MB of memory in use. ENERGY: 1981600 4049.3869 20553.1812 14493.1581 229.0194 -203519.6226 2760.1023 0.0000 0.0000 51470.9618 -109963.8130 295.8043 -161434.7748 -109612.3119 297.4990 15.9384 43.1883 760745.5800 9.1260 9.1763 PRESSURE: 1981800 68.6289 -136.528 18.7746 -136.528 -31.305 155.372 18.7744 155.371 508.297 GPRESSURE: 1981800 144.095 -260.194 32.6039 -187.866 17.0324 169.325 41.9222 256.635 483.03 PRESSAVG: 1981800 -22.8053 -41.0672 -53.9011 -41.0672 37.5312 34.1489 -53.901 34.1491 9.49388 GPRESSAVG: 1981800 -22.3355 -44.069 -54.1897 -40.3864 37.6208 32.6991 -54.8673 35.9456 8.60045 TIMING: 1981800 CPU: 6192.1, 0.00313434/step Wall: 6192.1, 0.00313434/step, 2.6278 hours remaining, 235.667969 MB of memory in use. ENERGY: 1981800 3915.3127 20478.7047 14472.2776 247.3745 -204005.2539 2923.0915 0.0000 0.0000 51764.2601 -110204.2328 297.4899 -161968.4928 -109836.8945 297.1922 181.8737 214.7192 759615.0987 8.0733 7.9619 PRESSURE: 1982000 107.747 -219.951 -171.233 -219.951 51.3951 -110.487 -171.233 -110.486 -129.699 GPRESSURE: 1982000 163.161 -295.613 -110.542 -158.29 117.914 -30.1258 -299.104 -122.306 -176.834 PRESSAVG: 1982000 9.11386 -37.6739 -21.021 -37.6739 -6.52244 20.0596 -21.021 20.0595 -6.87409 GPRESSAVG: 1982000 8.87332 -37.0495 -20.3981 -40.9416 -6.09209 19.6602 -22.0158 18.7094 -7.30422 TIMING: 1982000 CPU: 6192.72, 0.00313322/step Wall: 6192.72, 0.00313322/step, 2.62668 hours remaining, 235.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1982000 3935.9461 20298.8184 14363.0426 274.8400 -203893.8572 2811.6383 0.0000 0.0000 51818.9918 -110390.5799 297.8045 -162209.5717 -110026.8942 297.1459 9.8145 34.7472 760392.2053 -1.4276 -1.5077 PRESSURE: 1982200 273.776 -105.965 67.72 -105.964 252.794 96.0521 67.7206 96.0511 253.649 GPRESSURE: 1982200 323.537 44.0472 22.2126 -110.625 268.846 103.102 108.177 230.122 271.8 PRESSAVG: 1982200 -24.3652 -51.2588 -30.3828 -51.2587 19.661 72.5042 -30.3829 72.5043 23.7795 GPRESSAVG: 1982200 -24.5442 -48.8516 -29.9615 -49.3795 19.017 72.3295 -29.4604 69.8423 24.402 TIMING: 1982200 CPU: 6193.35, 0.00313714/step Wall: 6193.35, 0.00313714/step, 2.62979 hours remaining, 235.667969 MB of memory in use. ENERGY: 1982200 4029.1424 20347.2820 14426.5563 235.7616 -203924.9154 2988.2310 0.0000 0.0000 51868.5557 -110029.3864 298.0893 -161897.9420 -109666.4915 297.1026 260.0727 288.0612 759270.9256 6.3584 6.2916 PRESSURE: 1982400 -428.794 114.774 -227.639 114.774 38.819 415.591 -227.639 415.592 -256.591 GPRESSURE: 1982400 -441.11 -38.4247 -122.322 35.564 118.843 348.301 -209.427 200.045 -235.502 PRESSAVG: 1982400 -28.8937 -19.0419 -30.5702 -19.0419 17.8175 -5.67019 -30.5703 -5.67015 16.6251 GPRESSAVG: 1982400 -28.1876 -21.4252 -29.862 -19.6043 18.0806 -4.90344 -31.2093 -3.84077 15.8161 TIMING: 1982400 CPU: 6193.98, 0.00312785/step Wall: 6193.98, 0.00312785/step, 2.62183 hours remaining, 235.667969 MB of memory in use. ENERGY: 1982400 3981.9070 20440.4342 14423.0320 253.1051 -203814.6041 3064.9777 0.0000 0.0000 51901.7288 -109749.4193 298.2799 -161651.1481 -109377.6129 297.8414 -215.5220 -185.9231 762372.3068 1.8497 1.9030 PRESSURE: 1982600 193.731 40.002 -63.1832 40.0014 296.324 -244.828 -63.1833 -244.828 -414.722 GPRESSURE: 1982600 223.417 94.3623 -87.2376 -21.5555 326.269 -187.036 -193.994 -198.45 -394.467 PRESSAVG: 1982600 -41.1597 24.8832 26.6847 24.8832 44.6636 -36.0126 26.6846 -36.0125 -17.5347 GPRESSAVG: 1982600 -42.9505 25.8232 25.1962 26.6235 45.1548 -35.5307 26.3714 -36.9766 -16.5602 TIMING: 1982600 CPU: 6194.6, 0.00313164/step Wall: 6194.6, 0.00313165/step, 2.62484 hours remaining, 235.667969 MB of memory in use. ENERGY: 1982600 4020.4176 20443.7104 14476.2399 238.2761 -203957.6801 2896.3889 0.0000 0.0000 51956.6499 -109925.9974 298.5956 -161882.6473 -109565.5985 298.0874 25.1111 51.7393 760567.8601 -4.6769 -4.7853 PRESSURE: 1982800 63.609 -6.42525 150.616 -6.42515 66.963 66.3731 150.617 66.374 390.922 GPRESSURE: 1982800 89.0788 -87.811 136.522 -85.4733 54.6315 117.829 180.715 -73.6738 456.139 PRESSAVG: 1982800 -9.5513 -30.8577 -13.5386 -30.8578 41.384 -5.1772 -13.5385 -5.17702 25.8608 GPRESSAVG: 1982800 -9.85814 -29.9534 -13.724 -31.5393 40.3276 -6.41632 -13.3592 -3.77002 27.0562 TIMING: 1982800 CPU: 6195.23, 0.00313844/step Wall: 6195.23, 0.00313844/step, 2.63036 hours remaining, 235.667969 MB of memory in use. ENERGY: 1982800 3958.6265 20691.9968 14495.2508 252.8189 -203814.2481 2755.2715 0.0000 0.0000 51739.7040 -109920.5798 297.3488 -161660.2838 -109560.9614 298.3489 173.8315 199.9499 760986.0276 19.2312 19.1752 PRESSURE: 1983000 113.641 -42.3371 -89.4685 -42.3373 -221.623 207.104 -89.4679 207.104 130.131 GPRESSURE: 1983000 99.4437 -118.179 -108.454 12.9955 -87.7416 166.003 3.47669 155.186 95.027 PRESSAVG: 1983000 48.3541 17.9068 2.39228 17.9068 -31.0003 30.6598 2.39222 30.6597 -8.02746 GPRESSAVG: 1983000 50.0155 17.2805 1.86528 16.198 -31.1522 30.7415 3.52238 30.2648 -9.70082 TIMING: 1983000 CPU: 6195.86, 0.00314005/step Wall: 6195.86, 0.00314005/step, 2.63154 hours remaining, 235.667969 MB of memory in use. ENERGY: 1983000 4007.0283 20134.9862 14451.2523 245.1277 -203998.5350 3037.2488 0.0000 0.0000 51980.5779 -110142.3138 298.7331 -162122.8917 -109774.4310 297.8509 7.3833 35.5764 760035.8389 3.1088 3.0542 PRESSURE: 1983200 37.137 102.181 -21.1503 102.181 57.5504 -165.118 -21.1498 -165.118 -198.522 GPRESSURE: 1983200 66.7299 137.651 -33.9635 10.2511 89.5727 -234.368 49.7431 -124.132 -154.864 PRESSAVG: 1983200 68.2283 17.5156 -15.1403 17.5156 -101.754 60.5712 -15.1403 60.5712 -6.05873 GPRESSAVG: 1983200 66.527 17.5042 -13.6447 18.0098 -100.995 58.7868 -17.2374 62.8424 -5.43138 TIMING: 1983200 CPU: 6196.49, 0.00314941/step Wall: 6196.49, 0.00314941/step, 2.6392 hours remaining, 235.667969 MB of memory in use. ENERGY: 1983200 3893.2684 20367.3752 14471.1350 255.9579 -203567.2515 2571.0533 0.0000 0.0000 51846.2330 -110162.2286 297.9610 -162008.4616 -109792.2237 297.7363 -34.6117 0.4795 761449.5412 -13.1948 -13.2998 PRESSURE: 1983400 163.758 81.6882 75.3114 81.6878 18.4173 -147.415 75.312 -147.415 530.555 GPRESSURE: 1983400 240.301 21.1495 2.9848 111.507 71.8912 -146.635 145.14 -15.0364 493.723 PRESSAVG: 1983400 -6.42469 59.2995 25.2703 59.2995 20.704 8.13009 25.2703 8.13005 24.5998 GPRESSAVG: 1983400 -5.5766 57.3942 25.2691 60.0167 21.3736 9.35318 26.1032 7.21244 22.5665 TIMING: 1983400 CPU: 6197.12, 0.0031525/step Wall: 6197.12, 0.0031525/step, 2.64162 hours remaining, 235.667969 MB of memory in use. ENERGY: 1983400 3963.9067 20327.1191 14396.6249 227.8431 -204075.3447 3208.4312 0.0000 0.0000 51775.0355 -110176.3842 297.5518 -161951.4197 -109815.8772 297.6506 237.5767 268.6382 759483.0723 12.9597 12.7878 PRESSURE: 1983600 -298.709 -81.7555 -75.0441 -81.7564 409.211 -31.5785 -75.0439 -31.5792 477.652 GPRESSURE: 1983600 -149.656 -187.123 5.70467 -69.3403 340.237 18.9173 -159.868 23.1424 479.086 PRESSAVG: 1983600 -13.5137 -43.7161 -9.99342 -43.7162 29.682 50.704 -9.99346 50.7039 -13.2143 GPRESSAVG: 1983600 -13.6799 -43.3703 -9.31339 -42.4097 28.2202 52.3092 -11.1155 51.4238 -12.0801 TIMING: 1983600 CPU: 6197.75, 0.00315536/step Wall: 6197.75, 0.00315536/step, 2.64384 hours remaining, 235.667969 MB of memory in use. ENERGY: 1983600 3990.9615 20439.0430 14409.3980 252.2072 -204133.4191 3025.8548 0.0000 0.0000 51648.7627 -110367.1919 296.8261 -162015.9546 -110004.3550 297.0530 196.0512 223.2222 761632.1116 0.9847 0.8201 PRESSURE: 1983800 439.29 120.599 47.7033 120.598 -184.345 173.82 47.7035 173.821 244.345 GPRESSURE: 1983800 527.413 185.581 19.9773 178.257 -124.182 67.2524 25.3077 109.111 181.589 PRESSAVG: 1983800 -50.2101 7.05178 11.7788 7.05173 30.2848 85.8314 11.7788 85.8315 37.8365 GPRESSAVG: 1983800 -50.3576 8.84631 10.8632 4.3898 30.8216 85.3917 15.7667 84.9885 38.0705 TIMING: 1983800 CPU: 6198.38, 0.00314336/step Wall: 6198.38, 0.00314336/step, 2.63361 hours remaining, 235.667969 MB of memory in use. ENERGY: 1983800 3999.6215 20418.7241 14444.4248 235.6742 -204191.3044 3286.0195 0.0000 0.0000 51589.0102 -110217.8301 296.4828 -161806.8403 -109857.3732 297.3731 166.4304 194.9401 762143.3437 5.9704 6.1782 PRESSURE: 1984000 10.132 97.4394 91.4507 97.4397 97.1089 -136.555 91.4507 -136.554 -148.511 GPRESSURE: 1984000 -35.9236 62.5057 62.9009 8.77321 190.824 -111.173 53.5942 -51.7599 -112.265 PRESSAVG: 1984000 -20.2616 -16.6254 -24.7011 -16.6254 39.5162 30.5741 -24.701 30.5742 -23.6129 GPRESSAVG: 1984000 -21.3247 -17.3306 -23.7272 -14.6638 40.0864 30.3714 -29.2536 29.6222 -22.9918 TIMING: 1984000 CPU: 6199, 0.00313449/step Wall: 6199, 0.00313449/step, 2.62601 hours remaining, 235.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1984000 4009.2536 20340.3835 14426.9122 267.5907 -203756.5002 2739.2017 0.0000 0.0000 51930.8074 -110042.3510 298.4471 -161973.1584 -109675.1786 297.7044 -13.7569 14.2119 761453.3797 -1.4528 -1.4100 PRESSURE: 1984200 156.379 -4.36868 107.015 -4.3689 -95.5663 -6.50813 107.014 -6.50945 -196.271 GPRESSURE: 1984200 160.377 38.4529 111.999 -95.1053 -22.6772 -0.285175 41.2227 132.874 -164.18 PRESSAVG: 1984200 58.6784 27.6777 -11.2031 27.6777 -69.3394 23.1866 -11.2031 23.1865 -2.74585 GPRESSAVG: 1984200 60.3094 28.0521 -12.0957 27.0144 -69.5573 22.5305 -7.48098 25.5895 -3.30042 TIMING: 1984200 CPU: 6199.63, 0.00314045/step Wall: 6199.63, 0.00314045/step, 2.63083 hours remaining, 235.667969 MB of memory in use. ENERGY: 1984200 4099.4736 20628.6029 14461.7331 250.2859 -203648.7076 2549.2598 0.0000 0.0000 51607.9953 -110051.3571 296.5919 -161659.3524 -109701.4078 297.7062 -45.1527 -8.8266 762831.3377 -4.4690 -4.1828 LDB: ============= START OF LOAD BALANCING ============== 6212.11 LDB: ============== END OF LOAD BALANCING =============== 6212.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6212.11 LDB: ============= START OF LOAD BALANCING ============== 6212.43 LDB: Largest compute 6985 load 0.031706 is 16.3% of average load 0.194953 LDB: Average compute 0.004398 is 2.3% of average load 0.194953 LDB: TIME 6212.43 LOAD: AVG 0.194953 MAX 0.21364 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.496 MB LDB: TIME 6212.43 LOAD: AVG 0.194953 MAX 0.21364 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.699 MB LDB: TIME 6212.43 LOAD: AVG 0.194953 MAX 0.21364 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.699 MB LDB: ============== END OF LOAD BALANCING =============== 6212.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6212.44 PRESSURE: 1984400 -63.4061 -111.573 399.523 -111.573 150.404 -88.6642 399.523 -88.6648 90.8052 GPRESSURE: 1984400 20.057 -75.6244 453.324 -187.23 203.879 -38.3764 279.181 -149.793 36.1044 PRESSAVG: 1984400 -26.3946 48.2709 39.1369 48.2709 6.86176 9.23568 39.1368 9.23568 0.662399 GPRESSAVG: 1984400 -25.7903 48.1398 39.2099 49.9386 6.53107 10.5116 37.3595 8.56848 0.00139335 TIMING: 1984400 CPU: 6200.27, 0.00321094/step Wall: 6200.27, 0.00321094/step, 2.68969 hours remaining, 234.300781 MB of memory in use. ENERGY: 1984400 3999.7957 20444.8750 14463.9171 241.7852 -203946.9166 2948.0593 0.0000 0.0000 51662.9895 -110185.4948 296.9079 -161848.4843 -109819.5007 297.8020 59.2677 86.6802 761323.5836 -6.2901 -6.4193 PRESSURE: 1984600 61.4386 -144.004 69.8813 -144.004 266.75 9.15711 69.882 9.15604 -430.516 GPRESSURE: 1984600 139.146 -204.329 65.4409 -127.801 267.83 -9.11705 94.2897 0.0560974 -419.805 PRESSAVG: 1984600 -20.3747 -8.15939 47.7271 -8.15938 18.796 2.65757 47.727 2.65769 3.92546 GPRESSAVG: 1984600 -20.9207 -10.1301 45.8421 -8.57713 19.0994 2.18883 48.704 1.96298 3.64203 TIMING: 1984600 CPU: 6200.9, 0.00314157/step Wall: 6200.9, 0.00314157/step, 2.63141 hours remaining, 234.300781 MB of memory in use. ENERGY: 1984600 3863.1055 20524.0819 14387.1636 254.1740 -203552.9189 2730.6080 0.0000 0.0000 51867.9121 -109925.8738 298.0856 -161793.7859 -109554.0253 297.4939 -34.1091 -4.2764 760807.9623 0.7823 0.6069 PRESSURE: 1984800 -53.2122 53.6064 -114.894 53.6064 -265.84 3.61101 -114.895 3.61112 267.224 GPRESSURE: 1984800 -20.9829 -45.7336 -66.8439 141.639 -135.881 121.735 -117.311 0.858586 192.393 PRESSAVG: 1984800 -45.6389 -13.5174 9.57979 -13.5175 2.62452 7.02043 9.57974 7.02037 -3.63706 GPRESSAVG: 1984800 -46.0586 -12.6228 12.3767 -15.0881 2.40544 7.94881 10.1329 5.197 -3.03688 TIMING: 1984800 CPU: 6201.53, 0.00315566/step Wall: 6201.53, 0.00315566/step, 2.64304 hours remaining, 234.300781 MB of memory in use. ENERGY: 1984800 4017.1548 20545.9315 14414.1995 253.8927 -203894.7661 2882.4272 0.0000 0.0000 51873.5545 -109907.6058 298.1180 -161781.1603 -109540.0431 297.6980 -17.2762 11.8431 760675.7933 -15.5505 -15.5633 PRESSURE: 1985000 -43.3121 -121.665 -82.6014 -121.664 60.7042 56.7864 -82.6014 56.7872 -197.934 GPRESSURE: 1985000 -68.6247 -41.6683 -38.9798 -87.4655 141.387 98.1973 -105.046 -125.481 -182.045 PRESSAVG: 1985000 21.3289 -63.0529 18.0537 -63.053 -19.8442 -18.3803 18.0537 -18.3803 -18.9218 GPRESSAVG: 1985000 21.6521 -61.9232 17.3271 -61.3114 -19.9585 -20.7841 16.9571 -19.3215 -19.3155 TIMING: 1985000 CPU: 6202.16, 0.00313469/step Wall: 6202.16, 0.00313469/step, 2.62531 hours remaining, 234.300781 MB of memory in use. ENERGY: 1985000 3968.7545 20683.8935 14474.9914 248.8256 -203714.0767 2662.1114 0.0000 0.0000 51917.5233 -109757.9770 298.3707 -161675.5003 -109399.7775 297.9956 -60.1806 -36.4278 761044.0896 -5.8124 -5.8740 PRESSURE: 1985200 -116.784 106.824 161.677 106.825 -44.6083 62.7554 161.678 62.7545 -1.28999 GPRESSURE: 1985200 20.1529 13.8594 161.101 19.2771 -64.351 44.3338 52.6665 20.8483 -14.9348 PRESSAVG: 1985200 -12.8795 18.1234 31.7482 18.1233 69.6469 9.06425 31.7482 9.0642 4.21601 GPRESSAVG: 1985200 -12.6258 16.6944 31.2283 17.0657 68.7839 9.63121 31.3084 12.7431 4.38294 TIMING: 1985200 CPU: 6202.79, 0.00313576/step Wall: 6202.79, 0.00313576/step, 2.62603 hours remaining, 234.300781 MB of memory in use. ENERGY: 1985200 3896.0697 20465.3123 14509.1798 249.6206 -203752.0480 3081.0475 0.0000 0.0000 52050.7302 -109500.0878 299.1363 -161550.8180 -109131.0843 298.8255 -54.2274 -19.7110 763635.0669 20.3278 20.1804 PRESSURE: 1985400 -290.795 123.425 182.018 123.425 -268.592 143.687 182.019 143.686 78.493 GPRESSURE: 1985400 -200.818 63.92 134.891 221.56 -273.887 150.158 236.168 243.593 76.7208 PRESSAVG: 1985400 0.990434 -12.7687 -5.75307 -12.7686 -8.12667 37.1665 -5.75304 37.1666 18.4411 GPRESSAVG: 1985400 0.990906 -10.9598 -6.40785 -11.7579 -8.58662 37.3577 -4.45718 38.053 18.7819 TIMING: 1985400 CPU: 6203.42, 0.00314142/step Wall: 6203.42, 0.00314142/step, 2.63059 hours remaining, 234.300781 MB of memory in use. ENERGY: 1985400 4042.1116 20539.5506 14443.9721 246.5835 -203316.3878 2667.3463 0.0000 0.0000 52047.9301 -109328.8936 299.1202 -161376.8238 -108958.0754 299.0711 -160.2980 -132.6616 762808.9945 3.7683 3.7287 PRESSURE: 1985600 -466.656 69.1275 135.345 69.1267 202.62 130.569 135.345 130.568 163.647 GPRESSURE: 1985600 -280.06 26.4135 99.7911 118.537 119.387 160.898 151.325 28.7561 133.266 PRESSAVG: 1985600 -16.4119 74.5333 15.3766 74.5333 15.8902 7.02151 15.3766 7.02153 16.8993 GPRESSAVG: 1985600 -16.6597 71.7039 15.9778 74.6155 16.8631 8.21771 14.1701 3.56673 16.4007 TIMING: 1985600 CPU: 6204.04, 0.0031324/step Wall: 6204.04, 0.00313239/step, 2.62286 hours remaining, 234.300781 MB of memory in use. ENERGY: 1985600 4000.3753 20602.8334 14500.5389 247.4260 -203090.3657 2578.2732 0.0000 0.0000 51902.8290 -109258.0899 298.2863 -161160.9190 -108902.4361 299.1981 -33.4630 -9.1354 762552.0265 5.4592 5.5347 PRESSURE: 1985800 295.425 -188.446 -38.9009 -188.446 27.9742 221.839 -38.902 221.838 216.216 GPRESSURE: 1985800 370.968 -204.938 -59.0123 -202.858 104.29 184.711 -53.5652 115.734 159.666 PRESSAVG: 1985800 -11.7392 -40.8296 -4.67528 -40.8296 10.3406 36.437 -4.67527 36.4369 -18.7842 GPRESSAVG: 1985800 -12.5624 -37.5511 -3.97396 -42.3047 11.1427 36.0314 -5.00305 39.1533 -18.7052 TIMING: 1985800 CPU: 6204.67, 0.00314278/step Wall: 6204.67, 0.00314278/step, 2.63138 hours remaining, 234.300781 MB of memory in use. ENERGY: 1985800 3986.4838 20660.3600 14572.1863 228.4331 -203282.9166 2645.5820 0.0000 0.0000 51930.3988 -109259.4725 298.4447 -161189.8713 -108895.7550 298.9269 179.8719 211.6417 762912.5831 -6.7276 -6.7083 PRESSURE: 1986000 -118.28 -198.13 -13.7116 -198.13 -229.113 105.601 -13.7115 105.602 -298.04 GPRESSURE: 1986000 -158.937 -121.141 -138.662 -175.855 -143.1 138.862 90.4271 153.868 -250.608 PRESSAVG: 1986000 -2.90176 -43.7596 -11.5408 -43.7596 -22.0387 14.2607 -11.5408 14.2607 -15.8932 GPRESSAVG: 1986000 -2.19254 -47.0297 -11.9583 -42.1261 -22.494 12.7049 -9.78852 14.57 -16.6922 TIMING: 1986000 CPU: 6205.3, 0.00314242/step Wall: 6205.3, 0.00314242/step, 2.6309 hours remaining, 234.300781 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: 1986000 3960.8680 20503.9184 14475.2892 248.6906 -203188.1586 2461.8694 0.0000 0.0000 52364.6067 -109172.9163 300.9401 -161537.5230 -108794.2742 299.6845 -215.1442 -184.2147 763059.7904 -13.6112 -13.7929 PRESSURE: 1986200 -59.2703 -229.65 66.8498 -229.65 13.5784 -64.2757 66.8503 -64.2762 -143.337 GPRESSURE: 1986200 -190.327 -159.308 27.6164 -94.7795 127.219 -15.1974 85.1271 -133.697 -51.6092 PRESSAVG: 1986200 -36.9222 -62.5156 -11.6127 -62.5157 41.0797 -3.71127 -11.6127 -3.71126 15.2974 GPRESSAVG: 1986200 -37.3794 -59.8459 -11.5044 -62.3269 40.4234 -3.4589 -13.6826 -2.94937 15.9944 TIMING: 1986200 CPU: 6205.93, 0.00313136/step Wall: 6205.93, 0.00313136/step, 2.62147 hours remaining, 234.300781 MB of memory in use. ENERGY: 1986200 4030.0892 20526.0232 14497.9021 249.3967 -203366.6086 2652.5681 0.0000 0.0000 52085.7743 -109324.8549 299.3377 -161410.6293 -108955.8098 299.2806 -63.0098 -38.2389 763940.0266 6.4850 6.3461 PRESSURE: 1986400 137.851 93.5468 -19.7567 93.547 118.663 90.9516 -19.7565 90.9519 -206.831 GPRESSURE: 1986400 149.859 18.3064 -22.1196 55.2693 143.194 99.2387 40.1087 -165.433 -149.912 PRESSAVG: 1986400 36.9729 9.66479 8.07743 9.6648 -28.7009 -14.2435 8.07735 -14.2434 26.1557 GPRESSAVG: 1986400 35.6204 8.98715 6.61188 7.50849 -28.1943 -13.2219 9.5379 -18.228 26.6562 TIMING: 1986400 CPU: 6206.55, 0.00313676/step Wall: 6206.55, 0.00313676/step, 2.62582 hours remaining, 234.300781 MB of memory in use. ENERGY: 1986400 3997.7861 20617.7330 14481.0457 262.0783 -203582.3262 2757.1488 0.0000 0.0000 52185.3018 -109281.2326 299.9096 -161466.5343 -108916.7360 299.3860 16.5614 47.7139 763753.3743 11.4759 11.3608 PRESSURE: 1986600 60.3935 -306.248 14.8751 -306.248 -233.411 -64.8877 14.8747 -64.8881 -404.158 GPRESSURE: 1986600 94.1428 -234.295 -80.4602 -340.533 -229.794 -115.874 -30.492 25.3214 -349.293 PRESSAVG: 1986600 37.4716 10.8217 15.8661 10.8217 34.9154 -5.68727 15.8661 -5.68728 -8.11244 GPRESSAVG: 1986600 39.8987 11.7464 17.0258 10.4176 34.4463 -5.69705 14.7725 -5.39542 -10.1689 TIMING: 1986600 CPU: 6207.18, 0.00312648/step Wall: 6207.18, 0.00312648/step, 2.61704 hours remaining, 234.300781 MB of memory in use. ENERGY: 1986600 4051.3924 20320.8357 14480.9891 274.6390 -203547.2708 2810.9171 0.0000 0.0000 52159.7674 -109448.7299 299.7629 -161608.4974 -109076.7959 299.9188 -192.3919 -161.6481 762542.4245 21.4249 21.3920 PRESSURE: 1986800 64.0467 -16.9999 372.918 -17.0002 50.6497 -272.121 372.919 -272.122 342.963 GPRESSURE: 1986800 97.3957 -87.6235 325.252 -62.4924 57.9394 -282.74 410.587 -163.553 401.219 PRESSAVG: 1986800 -58.6363 -13.8662 -8.50908 -13.8662 22.1151 0.533967 -8.50915 0.533937 -15.0572 GPRESSAVG: 1986800 -60.3311 -13.2771 -8.52445 -12.8335 22.4043 1.15012 -9.62041 1.77771 -13.507 TIMING: 1986800 CPU: 6207.8, 0.0031271/step Wall: 6207.8, 0.0031271/step, 2.61738 hours remaining, 234.300781 MB of memory in use. ENERGY: 1986800 4057.7485 20421.4393 14525.4768 248.3773 -203335.8752 2802.6610 0.0000 0.0000 51903.1823 -109376.9901 298.2883 -161280.1724 -109004.8800 299.2601 152.5533 185.5182 763611.8530 -17.1928 -17.1446 PRESSURE: 1987000 -104.597 -36.8376 -25.348 -36.8365 -88.3941 34.5952 -25.3491 34.5951 -200.468 GPRESSURE: 1987000 -124.113 -47.4217 -65.2368 -48.7006 10.3736 87.821 -83.9542 72.5379 -194.093 PRESSAVG: 1987000 -17.2611 -30.7707 -7.30027 -30.7707 31.8235 -35.8839 -7.30033 -35.8839 -10.0175 GPRESSAVG: 1987000 -15.8361 -32.2125 -6.87467 -29.3775 30.2988 -35.6212 -6.24641 -35.3975 -9.9827 TIMING: 1987000 CPU: 6208.43, 0.00313645/step Wall: 6208.43, 0.00313645/step, 2.62503 hours remaining, 234.300781 MB of memory in use. ENERGY: 1987000 4001.8517 20342.8927 14490.5635 240.8778 -203278.8891 2577.9871 0.0000 0.0000 52218.6217 -109406.0945 300.1011 -161624.7162 -109028.2462 298.7443 -131.1530 -102.6108 762982.6578 1.5149 1.4933 PRESSURE: 1987200 122.663 -29.084 -69.371 -29.083 94.8244 135.277 -69.3705 135.277 -279.495 GPRESSURE: 1987200 84.3887 -9.91369 -182.632 92.7106 139.907 165.743 70.6974 22.1549 -195.039 PRESSAVG: 1987200 56.5015 -55.1831 -20.9192 -55.1831 -34.4762 43.758 -20.9192 43.758 -2.00127 GPRESSAVG: 1987200 55.9205 -54.2055 -21.5868 -54.5502 -33.4751 42.1934 -21.993 44.0492 -1.83426 TIMING: 1987200 CPU: 6209.06, 0.00311751/step Wall: 6209.06, 0.00311751/step, 2.60901 hours remaining, 234.300781 MB of memory in use. ENERGY: 1987200 3915.0857 20568.3912 14535.5927 247.7885 -203206.6501 2654.6140 0.0000 0.0000 51793.2847 -109491.8933 297.6567 -161285.1780 -109119.6447 298.3200 -20.6693 9.7524 762239.2698 6.6747 6.8704 PRESSURE: 1987400 113.553 -48.1657 153.81 -48.1646 45.6631 72.9775 153.809 72.977 -377.87 GPRESSURE: 1987400 99.4451 -164.589 136.258 33.3526 43.5134 11.6095 188.955 -10.4781 -285.539 PRESSAVG: 1987400 -11.8417 -44.397 18.2609 -44.397 72.4465 56.0346 18.2609 56.0347 7.18813 GPRESSAVG: 1987400 -11.1211 -44.3732 18.0555 -47.3536 71.8837 57.2538 19.409 54.5018 7.28774 TIMING: 1987400 CPU: 6209.68, 0.00314301/step Wall: 6209.68, 0.00314301/step, 2.63017 hours remaining, 234.300781 MB of memory in use. ENERGY: 1987400 4007.5939 20487.5851 14564.6066 240.8421 -203484.0153 2858.2863 0.0000 0.0000 51831.7409 -109493.3604 297.8777 -161325.1014 -109122.6792 298.7272 -72.8846 -47.5270 763011.7346 22.5977 22.6834 PRESSURE: 1987600 378.447 -48.3022 -85.3457 -48.3024 274.045 -164.668 -85.3463 -164.668 261.178 GPRESSURE: 1987600 332.293 -21.0542 -146.039 -173.467 410.927 -109.938 -28.9971 -206.606 252.86 PRESSAVG: 1987600 -0.370304 -42.4852 -23.2715 -42.4852 -53.6048 75.6281 -23.2715 75.6282 -12.3191 GPRESSAVG: 1987600 -0.995374 -43.575 -23.9658 -42.7083 -52.4248 74.599 -21.5092 77.3966 -12.8445 TIMING: 1987600 CPU: 6210.31, 0.00312635/step Wall: 6210.31, 0.00312635/step, 2.61606 hours remaining, 234.300781 MB of memory in use. ENERGY: 1987600 3996.8249 20450.5826 14513.1612 254.2942 -203695.2167 3161.0540 0.0000 0.0000 51911.6764 -109407.6234 298.3371 -161319.2998 -109054.4620 298.1847 304.5567 332.0267 761795.1473 -22.0981 -22.0882 PRESSURE: 1987800 -129.565 -109.774 103.222 -109.773 -287.09 154.819 103.222 154.819 -164.974 GPRESSURE: 1987800 -66.6326 -124.482 88.3544 -102.392 -238.278 202.157 162.481 250.473 -199.711 PRESSAVG: 1987800 -42.4528 -15.9579 -10.2258 -15.9579 -41.5996 67.3755 -10.2258 67.3755 20.9422 GPRESSAVG: 1987800 -42.4344 -13.8987 -8.50219 -15.4225 -41.2486 68.2526 -11.1725 66.104 20.7214 TIMING: 1987800 CPU: 6210.93, 0.00311986/step Wall: 6210.93, 0.00311986/step, 2.61045 hours remaining, 234.300781 MB of memory in use. ENERGY: 1987800 4009.6344 20525.5616 14523.5626 231.5213 -203474.2783 2732.8762 0.0000 0.0000 52020.6103 -109430.5118 298.9632 -161451.1221 -109062.9421 298.5881 -193.8761 -168.2070 762615.3785 -21.0367 -20.9872 PRESSURE: 1988000 -103.936 51.5616 -97.3177 51.5612 340.117 32.3488 -97.3175 32.3489 82.6933 GPRESSURE: 1988000 -15.0753 42.79 -129.452 -85.9876 347.028 43.683 11.8579 -101.989 59.0436 PRESSAVG: 1988000 -51.5593 -5.12249 6.81881 -5.12252 35.0023 24.6962 6.81877 24.6962 26.1956 GPRESSAVG: 1988000 -51.1297 -8.34549 7.30336 -4.05644 34.043 26.1591 7.69571 24.3594 26.1849 TIMING: 1988000 CPU: 6211.56, 0.00311948/step Wall: 6211.56, 0.00311948/step, 2.60997 hours remaining, 234.300781 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: 1988000 4050.2245 20624.0116 14515.9973 243.7762 -203287.4193 2629.9192 0.0000 0.0000 51947.5874 -109275.9031 298.5435 -161223.4905 -108911.0687 298.8747 106.2916 130.3320 763113.3706 3.2128 3.0327 PRESSURE: 1988200 170.689 24.7106 318.126 24.71 49.1342 -42.3742 318.126 -42.3741 49.7105 GPRESSURE: 1988200 201.041 142.177 339.829 36.2265 126.235 -16.4076 228.134 68.0449 45.8004 PRESSAVG: 1988200 -8.6232 11.6854 31.1976 11.6854 22.9278 25.1277 31.1976 25.1278 -12.0711 GPRESSAVG: 1988200 -9.15787 14.5859 29.9538 12.7779 22.9532 23.268 30.4009 25.4038 -11.8617 TIMING: 1988200 CPU: 6212.18, 0.00311588/step Wall: 6212.18, 0.00311588/step, 2.60678 hours remaining, 234.300781 MB of memory in use. ENERGY: 1988200 3956.5746 20481.7787 14486.6482 249.7078 -203389.0220 2847.7053 0.0000 0.0000 51978.4385 -109388.1690 298.7208 -161366.6075 -109029.9881 299.0126 89.8446 124.3586 762460.5306 0.7445 0.6445 LDB: ============= START OF LOAD BALANCING ============== 6224.66 LDB: ============== END OF LOAD BALANCING =============== 6224.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6224.66 LDB: ============= START OF LOAD BALANCING ============== 6224.98 LDB: Largest compute 7058 load 0.031078 is 15.9% of average load 0.194933 LDB: Average compute 0.004421 is 2.3% of average load 0.194933 LDB: TIME 6224.98 LOAD: AVG 0.194933 MAX 0.213628 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.012 MB LDB: TIME 6224.98 LOAD: AVG 0.194933 MAX 0.213628 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.082 MB LDB: TIME 6224.98 LOAD: AVG 0.194933 MAX 0.213628 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.082 MB LDB: ============== END OF LOAD BALANCING =============== 6224.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6224.99 PRESSURE: 1988400 -104.831 -112.452 178.152 -112.452 -332.769 207.769 178.152 207.769 -168.958 GPRESSURE: 1988400 -208.357 -30.9492 179.141 -47.3652 -154.099 257.08 129.055 194.912 -136.197 PRESSAVG: 1988400 -24.5103 -7.53498 -3.77093 -7.53497 -6.06777 42.119 -3.77091 42.119 12.4054 GPRESSAVG: 1988400 -23.49 -6.49917 -3.06877 -8.3374 -7.09593 43.3898 -3.92061 43.1128 12.6799 TIMING: 1988400 CPU: 6212.82, 0.0032048/step Wall: 6212.82, 0.0032048/step, 2.68099 hours remaining, 234.300781 MB of memory in use. ENERGY: 1988400 4025.8310 20377.4669 14448.2782 268.4422 -203232.0645 2666.7172 0.0000 0.0000 52045.4591 -109399.8699 299.1060 -161445.3290 -109034.1815 298.7226 -202.1861 -166.2176 762685.3111 -6.0576 -5.9687 PRESSURE: 1988600 -34.3432 170.141 -75.5763 170.141 -8.16632 -21.4442 -75.5765 -21.4441 47.2226 GPRESSURE: 1988600 -1.96488 44.3748 -51.92 262.635 -4.92013 83.4023 5.84429 -157.431 101.287 PRESSAVG: 1988600 17.1264 22.4893 -15.1581 22.4893 -7.81447 18.841 -15.1582 18.841 -14.0588 GPRESSAVG: 1988600 17.3219 20.4375 -15.0155 20.8266 -8.84347 17.8536 -15.009 19.037 -13.4481 TIMING: 1988600 CPU: 6213.45, 0.0031267/step Wall: 6213.45, 0.0031267/step, 2.61548 hours remaining, 234.500000 MB of memory in use. ENERGY: 1988600 3944.9568 20475.9050 14426.6936 245.5825 -203449.0076 2890.8613 0.0000 0.0000 52046.5010 -109418.5073 299.1120 -161465.0083 -109060.6736 298.5234 1.5710 31.4673 763445.1614 -1.5823 -1.6566 PRESSURE: 1988800 -363.117 -64.8888 -234.622 -64.8886 -31.096 -81.6302 -234.622 -81.6298 187.258 GPRESSURE: 1988800 -269.595 -26.6809 -276.519 -60.4451 21.3069 -206.487 -135.544 -22.4561 123.878 PRESSAVG: 1988800 -32.9074 42.8735 -6.47399 42.8736 30.1451 64.1653 -6.47397 64.1652 -14.4957 GPRESSAVG: 1988800 -33.8045 42.6846 -6.38528 43.5595 32.5052 63.6884 -6.19903 61.7923 -15.6055 TIMING: 1988800 CPU: 6214.07, 0.00311468/step Wall: 6214.07, 0.00311468/step, 2.60526 hours remaining, 234.500000 MB of memory in use. ENERGY: 1988800 3921.7019 20585.3603 14480.1353 233.3086 -203462.6811 2890.3944 0.0000 0.0000 52082.6699 -109269.1106 299.3198 -161351.7805 -108911.0024 298.6355 -68.9852 -41.4699 762593.5736 -5.7527 -5.6349 PRESSURE: 1989000 179.931 371.124 -52.5964 371.123 341.629 175.504 -52.5956 175.503 -279.741 GPRESSURE: 1989000 182.686 192.096 15.9216 389.05 417.889 157.242 -26.7448 96.2788 -270.991 PRESSAVG: 1989000 -66.8921 -41.158 -7.80901 -41.158 5.29032 38.6566 -7.80899 38.6565 -26.4608 GPRESSAVG: 1989000 -66.4022 -42.99 -8.83443 -40.3694 4.52551 41.6718 -7.29818 39.4029 -26.4639 TIMING: 1989000 CPU: 6214.7, 0.00315434/step Wall: 6214.7, 0.00315434/step, 2.63825 hours remaining, 234.500000 MB of memory in use. ENERGY: 1989000 3944.5172 20596.3545 14430.7699 259.5798 -203580.2314 2857.5461 0.0000 0.0000 52071.0960 -109420.3679 299.2533 -161491.4639 -109052.3274 299.2154 80.6062 109.8616 760991.4514 -29.3542 -29.4469 PRESSURE: 1989200 -54.7907 25.9775 -8.96143 25.9772 -210.931 -133.67 -8.96211 -133.67 -295.433 GPRESSURE: 1989200 -45.785 133.855 8.73724 62.419 -185.722 -146.416 53.2361 -14.5411 -248.45 PRESSAVG: 1989200 25.4637 -30.8251 -0.596122 -30.8251 -0.749514 38.7778 -0.596082 38.7778 4.57389 GPRESSAVG: 1989200 24.9969 -29.3563 0.126548 -31.4794 -1.39493 37.3562 -2.09908 39.5049 5.3032 TIMING: 1989200 CPU: 6215.33, 0.00313307/step Wall: 6215.33, 0.00313307/step, 2.62029 hours remaining, 234.500000 MB of memory in use. ENERGY: 1989200 4060.2629 20513.0340 14521.1460 239.1777 -203534.4004 2698.9390 0.0000 0.0000 52291.6552 -109210.1855 300.5209 -161501.8408 -108845.4126 299.1255 -187.0516 -159.9857 761594.5452 9.7627 9.6350 PRESSURE: 1989400 -29.1597 -170.372 75.2721 -170.373 -319.444 133.229 75.2729 133.229 -256.658 GPRESSURE: 1989400 -39.5516 -217.102 61.1617 -150.579 -320.393 121.136 80.5844 152.31 -153.518 PRESSAVG: 1989400 -38.6832 -12.8958 -5.00456 -12.8957 28.5605 -69.4547 -5.00453 -69.4547 -10.2723 GPRESSAVG: 1989400 -38.4982 -13.3375 -5.41909 -11.3396 28.2067 -68.8518 -2.1851 -70.7933 -10.5637 TIMING: 1989400 CPU: 6215.96, 0.00315719/step Wall: 6215.96, 0.00315719/step, 2.64029 hours remaining, 234.500000 MB of memory in use. ENERGY: 1989400 3980.5912 20564.8561 14516.5113 250.0621 -203225.3764 2578.8224 0.0000 0.0000 52046.8344 -109287.6989 299.1139 -161334.5333 -108939.9339 299.3092 -201.7539 -171.1541 763025.9857 -6.7983 -6.9517 PRESSURE: 1989600 -119.608 196.383 -31.563 196.383 117.812 -144.705 -31.5635 -144.705 363.551 GPRESSURE: 1989600 -49.1656 184.039 -11.6684 246.275 148.573 -150.193 -39.0227 -251.965 347.69 PRESSAVG: 1989600 -35.57 -1.93089 32.2911 -1.93087 34.5023 -52.94 32.291 -52.9401 14.4759 GPRESSAVG: 1989600 -35.2539 0.00949262 34.2328 -2.44429 34.5573 -54.7399 30.1289 -50.4548 14.3093 TIMING: 1989600 CPU: 6216.59, 0.00315891/step Wall: 6216.59, 0.00315891/step, 2.64155 hours remaining, 234.500000 MB of memory in use. ENERGY: 1989600 3930.6494 20690.5357 14568.1379 246.5984 -203464.6517 2811.2898 0.0000 0.0000 51990.8282 -109226.6124 298.7920 -161217.4406 -108865.2085 299.0368 120.5848 149.0325 763029.0861 4.4694 4.5376 PRESSURE: 1989800 22.59 -136.136 35.8399 -136.137 160.071 98.89 35.8399 98.8906 193.585 GPRESSURE: 1989800 136.283 -96.4783 -74.1168 -116.958 111.438 114.033 135.472 -5.65556 203.93 PRESSAVG: 1989800 -38.7492 31.0191 -2.98161 31.0191 32.2999 -9.12179 -2.98166 -9.12178 -1.39929 GPRESSAVG: 1989800 -38.782 29.3222 -3.90581 31.1631 31.4901 -8.40117 -1.24911 -10.0392 -0.805279 TIMING: 1989800 CPU: 6217.21, 0.00311969/step Wall: 6217.21, 0.00311969/step, 2.60858 hours remaining, 234.500000 MB of memory in use. ENERGY: 1989800 3962.4982 20454.7890 14561.6556 244.2388 -203570.1044 2958.2939 0.0000 0.0000 51988.1752 -109400.4535 298.7768 -161388.6287 -109037.8830 298.6361 125.4152 150.5503 761480.4065 -2.6162 -2.6991 PRESSURE: 1990000 -414.351 -8.41329 56.4987 -8.41355 -4.30451 -294.633 56.4986 -294.635 6.93178 GPRESSURE: 1990000 -362.378 -119.49 26.9552 67.8547 14.246 -230.14 135.375 -286.312 15.7008 PRESSAVG: 1990000 -40.2296 3.20388 2.817 3.20387 62.354 65.8823 2.81697 65.8822 24.1034 GPRESSAVG: 1990000 -39.8486 2.7487 3.37721 3.15362 62.7143 65.4854 2.23365 67.1535 23.1843 TIMING: 1990000 CPU: 6217.83, 0.00309839/step Wall: 6217.83, 0.00309839/step, 2.5906 hours remaining, 234.500000 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: 1990000 3989.2107 20360.4626 14503.1442 247.8062 -203305.1520 2697.5087 0.0000 0.0000 51998.5063 -109508.5132 298.8361 -161507.0196 -109152.9834 298.9397 -137.2412 -110.8105 762346.5385 15.4093 15.3500 PRESSURE: 1990200 296.903 38.6428 60.4831 38.643 610.128 26.4007 60.4834 26.4015 -49.5256 GPRESSURE: 1990200 319.066 1.69763 152.347 164.25 583.297 27.1726 71.3184 132.779 42.8607 PRESSAVG: 1990200 -46.4555 27.7392 15.5466 27.7391 33.4246 25.3542 15.5466 25.3542 -5.7295 GPRESSAVG: 1990200 -46.8664 29.9183 16.3464 25.5706 34.0734 27.1871 15.52 23.9767 -5.77101 TIMING: 1990200 CPU: 6218.46, 0.00312656/step Wall: 6218.46, 0.00312656/step, 2.61398 hours remaining, 234.500000 MB of memory in use. ENERGY: 1990200 3882.9600 20600.2050 14484.7616 251.2736 -203803.9827 3027.5382 0.0000 0.0000 52038.4273 -109518.8169 299.0656 -161557.2442 -109149.0709 298.6384 285.8353 315.0744 761223.5003 -6.2535 -6.1880 PRESSURE: 1990400 -466.977 36.9832 11.8716 36.9829 -35.8579 -62.5556 11.8709 -62.5562 -212.356 GPRESSURE: 1990400 -412.426 -20.4348 40.749 63.9991 59.0245 -48.113 -12.017 -72.1836 -292.299 PRESSAVG: 1990400 -45.3983 4.62672 -17.8635 4.62673 9.07057 85.6565 -17.8635 85.6565 16.6351 GPRESSAVG: 1990400 -44.3621 3.38783 -19.4215 7.4665 9.04938 85.5688 -17.2025 85.4978 15.7745 TIMING: 1990400 CPU: 6219.08, 0.00311677/step Wall: 6219.08, 0.00311677/step, 2.60562 hours remaining, 234.500000 MB of memory in use. ENERGY: 1990400 3984.1416 20562.1335 14555.2621 240.5171 -203424.8237 2646.7856 0.0000 0.0000 51991.5218 -109444.4620 298.7960 -161435.9838 -109083.2322 298.4995 -238.3968 -215.2335 762068.1333 -6.5642 -6.5127 PRESSURE: 1990600 -65.6878 -303.79 70.3149 -303.79 -53.2114 4.30471 70.3149 4.306 107.26 GPRESSURE: 1990600 40.9784 -345.207 92.0455 -291.78 6.91918 -64.8384 40.3315 -41.8989 30.3562 PRESSAVG: 1990600 8.03225 3.87042 -25.7887 3.87036 14.3826 21.8027 -25.7886 21.8027 -17.5191 GPRESSAVG: 1990600 8.83103 4.70688 -25.2438 3.47395 12.9742 20.9431 -26.7546 22.0764 -17.0356 TIMING: 1990600 CPU: 6219.7, 0.00311383/step Wall: 6219.7, 0.00311383/step, 2.60299 hours remaining, 234.500000 MB of memory in use. ENERGY: 1990600 3909.0174 20447.9971 14540.4177 261.5722 -203178.7856 2489.0754 0.0000 0.0000 52019.7716 -109510.9340 298.9583 -161530.7056 -109140.8439 298.7969 -3.8798 26.0846 763377.1105 1.6319 1.5899 PRESSURE: 1990800 18.7038 -4.29449 64.097 -4.29465 249.536 -184.977 64.0976 -184.976 -345.379 GPRESSURE: 1990800 47.9573 124.325 129.172 10.1937 307.048 -118.746 71.5732 -114.258 -345.533 PRESSAVG: 1990800 -21.627 32.6014 12.7261 32.6013 38.6612 2.76407 12.726 2.76415 -2.29555 GPRESSAVG: 1990800 -22.84 33.3761 12.9082 33.99 39.7388 3.1674 13.697 1.29904 -2.32754 TIMING: 1990800 CPU: 6220.33, 0.00310923/step Wall: 6220.33, 0.00310923/step, 2.59897 hours remaining, 234.500000 MB of memory in use. ENERGY: 1990800 4000.8197 20439.6058 14520.7560 241.5944 -203195.7093 2623.0903 0.0000 0.0000 52082.0073 -109287.8358 299.3160 -161369.8432 -108923.5530 298.8545 -25.7133 3.1574 762888.4250 4.9129 4.8571 PRESSURE: 1991000 -84.106 123.578 -59.3962 123.577 124.054 23.1662 -59.3966 23.1663 359.097 GPRESSURE: 1991000 -42.7649 103.707 28.9879 76.6373 149.903 54.35 -153.444 16.4675 368.288 PRESSAVG: 1991000 -0.448036 19.6085 -19.3869 19.6085 57.0201 32.8804 -19.3869 32.8804 0.0958715 GPRESSAVG: 1991000 -0.620371 19.45 -18.1628 17.8363 55.9081 32.9405 -20.3043 34.9335 0.593393 TIMING: 1991000 CPU: 6220.95, 0.00310942/step Wall: 6220.95, 0.00310942/step, 2.59896 hours remaining, 234.500000 MB of memory in use. ENERGY: 1991000 3940.2771 20634.4488 14450.1245 250.7835 -203294.1038 2857.3093 0.0000 0.0000 51753.4619 -109407.6986 297.4279 -161161.1605 -109048.9067 299.2791 133.0148 158.4752 762698.6882 18.8893 18.6271 PRESSURE: 1991200 -218.013 107.493 277.218 107.494 153.387 -11.3351 277.218 -11.3355 -291.164 GPRESSURE: 1991200 -90.6195 119.498 279.68 4.70514 99.8742 -21.2265 351.857 -44.2523 -277.473 PRESSAVG: 1991200 -37.2433 16.2721 6.81012 16.2721 27.6644 27.9146 6.81012 27.9146 -19.2693 GPRESSAVG: 1991200 -36.5246 16.6494 4.44851 16.5208 27.3778 27.1931 6.48156 26.4011 -19.2913 TIMING: 1991200 CPU: 6221.57, 0.00311116/step Wall: 6221.57, 0.00311116/step, 2.60024 hours remaining, 234.500000 MB of memory in use. ENERGY: 1991200 3965.7267 20533.7745 14480.8522 251.8016 -203036.5686 2596.0457 0.0000 0.0000 51917.5930 -109290.7749 298.3711 -161208.3679 -108927.9308 298.8515 -118.5964 -89.4060 763426.3253 -9.6161 -9.4794 PRESSURE: 1991400 -110.335 -42.7614 90.7305 -42.7606 -264.114 85.0616 90.7305 85.0627 22.7363 GPRESSURE: 1991400 -49.2308 -81.595 20.7718 -34.8176 -289.645 58.2413 156.534 54.5283 79.5371 PRESSAVG: 1991400 5.51036 -6.58285 27.6725 -6.58289 24.6367 -31.9712 27.6725 -31.9711 7.24403 GPRESSAVG: 1991400 4.50405 -6.76333 27.7051 -6.12893 25.0533 -32.0918 28.4106 -32.2074 7.83041 TIMING: 1991400 CPU: 6222.19, 0.00311843/step Wall: 6222.19, 0.00311843/step, 2.60614 hours remaining, 234.500000 MB of memory in use. ENERGY: 1991400 3988.5616 20512.8675 14484.4608 248.0209 -203163.6622 2699.4757 0.0000 0.0000 52012.6469 -109217.6288 298.9174 -161230.2757 -108865.1976 299.4774 -117.2374 -86.4462 762069.6254 12.4637 12.4626 PRESSURE: 1991600 -208.782 -160.272 165.978 -160.272 26.472 -35.0854 165.979 -35.0845 -178.9 GPRESSURE: 1991600 -212.391 -170.493 232.079 -167.454 87.735 -28.6786 157.768 -56.7265 -146.257 PRESSAVG: 1991600 -20.9419 -15.6497 24.2564 -15.6497 13.8211 -18.4173 24.2565 -18.4172 0.992718 GPRESSAVG: 1991600 -21.2111 -15.6053 25.3784 -14.7542 14.0478 -16.2822 22.6006 -18.0968 0.325964 TIMING: 1991600 CPU: 6222.82, 0.00311104/step Wall: 6222.82, 0.00311104/step, 2.59979 hours remaining, 234.500000 MB of memory in use. ENERGY: 1991600 3946.9520 20511.2320 14485.6453 259.9708 -203302.1585 2696.7525 0.0000 0.0000 51919.8603 -109481.7456 298.3842 -161401.6059 -109123.8530 299.1892 -120.4033 -90.3045 761789.1951 -2.0427 -2.2791 PRESSURE: 1991800 -132.068 -31.0364 -203.586 -31.036 358.069 82.4252 -203.586 82.4255 377.947 GPRESSURE: 1991800 -32.2265 74.3353 -240.598 -5.01587 395.127 213.595 -81.8466 256.387 315.823 PRESSAVG: 1991800 -53.4245 10.0216 21.8427 10.0216 22.2115 34.6859 21.8426 34.686 12.0861 GPRESSAVG: 1991800 -53.1742 12.5986 22.4524 5.67009 22.9041 33.8627 23.8121 34.5806 11.6747 TIMING: 1991800 CPU: 6223.44, 0.0031147/step Wall: 6223.44, 0.0031147/step, 2.60268 hours remaining, 234.500000 MB of memory in use. ENERGY: 1991800 3838.0270 20496.3569 14453.1676 251.0807 -203121.2210 2580.4714 0.0000 0.0000 51823.0551 -109679.0623 297.8278 -161502.1175 -109319.2946 298.0177 201.3163 226.2409 761131.3653 -6.3756 -6.1985 PRESSURE: 1992000 -43.0204 60.5912 -211.762 60.5912 -219.269 72.1514 -211.761 72.1497 -51.4239 GPRESSURE: 1992000 51.1451 16.7481 -198.588 33.3975 -249.515 58.7412 -176.486 -1.99471 -38.5191 PRESSAVG: 1992000 -12.1441 28.8593 -24.7863 28.8594 44.3456 48.1292 -24.7863 48.1292 -15.9834 GPRESSAVG: 1992000 -12.335 26.7024 -26.8536 32.3982 44.1433 48.352 -24.4808 49.5818 -15.6711 TIMING: 1992000 CPU: 6224.07, 0.00314488/step Wall: 6224.07, 0.00314488/step, 2.62772 hours remaining, 234.500000 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: 1992000 4018.6303 20484.7593 14470.8156 229.9564 -203686.9803 2751.2480 0.0000 0.0000 52014.3226 -109717.2480 298.9270 -161731.5706 -109359.5025 297.9060 -104.5710 -78.9630 762998.4728 5.4060 5.3790 PRESSURE: 1992200 -0.710448 170.789 124.432 170.789 53.9424 -219.919 124.431 -219.918 254.817 GPRESSURE: 1992200 18.196 115.041 162.839 116.841 138.444 -219.863 141.045 -148.648 203.802 PRESSAVG: 1992200 -37.5447 68.439 -64.6082 68.4391 15.0845 17.4083 -64.6081 17.4084 21.9293 GPRESSAVG: 1992200 -38.6062 68.0531 -62.7229 69.0674 16.1855 15.9647 -68.0715 18.576 21.9737 TIMING: 1992200 CPU: 6224.69, 0.00313043/step Wall: 6224.69, 0.00313043/step, 2.61548 hours remaining, 234.500000 MB of memory in use. ENERGY: 1992200 4086.3300 20337.6018 14384.2123 249.2144 -203631.9049 3099.8104 0.0000 0.0000 52085.9776 -109388.7584 299.3388 -161474.7360 -109031.3511 298.5946 102.6828 120.1475 764437.1805 -0.1770 -0.1490 LDB: ============= START OF LOAD BALANCING ============== 6237.17 LDB: ============== END OF LOAD BALANCING =============== 6237.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6237.18 LDB: ============= START OF LOAD BALANCING ============== 6237.49 LDB: Largest compute 6985 load 0.030288 is 15.5% of average load 0.194982 LDB: Average compute 0.004398 is 2.3% of average load 0.194982 LDB: TIME 6237.49 LOAD: AVG 0.194982 MAX 0.214099 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.172 MB LDB: TIME 6237.49 LOAD: AVG 0.194982 MAX 0.214099 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.172 MB LDB: TIME 6237.49 LOAD: AVG 0.194982 MAX 0.214099 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.172 MB LDB: ============== END OF LOAD BALANCING =============== 6237.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6237.5 PRESSURE: 1992400 -394.77 59.9517 38.7252 59.9523 -232.099 482.054 38.7251 482.054 -305.162 GPRESSURE: 1992400 -270.367 79.2881 2.73468 7.53072 -268.946 483.275 96.936 377.773 -305.183 PRESSAVG: 1992400 17.5956 26.2458 0.969212 26.2458 16.9506 65.1361 0.969195 65.1361 5.36216 GPRESSAVG: 1992400 18.5227 25.28 0.765963 26.5113 16.3989 65.6441 3.9517 63.3484 4.71308 TIMING: 1992400 CPU: 6225.33, 0.00319206/step Wall: 6225.33, 0.00319206/step, 2.66679 hours remaining, 233.230469 MB of memory in use. ENERGY: 1992400 3930.6146 20285.4279 14512.7796 255.6283 -203621.0158 3106.0677 0.0000 0.0000 52078.8592 -109451.6386 299.2979 -161530.4977 -109087.3401 298.3159 -310.6771 -281.4985 765274.0676 13.3028 13.2116 PRESSURE: 1992600 280.176 -134.336 220.217 -134.335 -258.076 -56.9596 220.217 -56.9603 -181.141 GPRESSURE: 1992600 254.323 -107.603 145.829 37.2006 -208.691 -40.3692 179.161 67.0376 -119.814 PRESSAVG: 1992600 -14.9312 13.4349 15.898 13.4349 28.2173 4.00559 15.898 4.00565 -2.23511 GPRESSAVG: 1992600 -14.1697 14.7725 15.4985 13.4972 26.2973 3.14794 13.5313 5.45424 -1.36995 TIMING: 1992600 CPU: 6225.96, 0.00311801/step Wall: 6225.96, 0.00311801/step, 2.60475 hours remaining, 233.230469 MB of memory in use. ENERGY: 1992600 4002.1365 20309.5905 14508.4350 225.7134 -203766.0740 3007.9841 0.0000 0.0000 52186.9611 -109525.2535 299.9192 -161712.2145 -109156.3805 298.2753 -53.0138 -24.7273 762286.5589 3.6837 3.5859 PRESSURE: 1992800 20.9796 -13.879 -162.576 -13.8786 20.6855 306.542 -162.576 306.542 -401.045 GPRESSURE: 1992800 -0.756514 29.1522 -169.953 -120.711 22.0179 324.08 -153.95 292.451 -306.815 PRESSAVG: 1992800 12.6082 19.6386 -0.942947 19.6387 -21.1721 28.6519 -0.942974 28.652 13.562 GPRESSAVG: 1992800 11.4555 21.0039 0.533796 19.0006 -19.8572 28.8694 -1.00363 28.3877 13.1564 TIMING: 1992800 CPU: 6226.58, 0.00313515/step Wall: 6226.58, 0.00313515/step, 2.61889 hours remaining, 233.230469 MB of memory in use. ENERGY: 1992800 4025.3279 20377.1761 14518.9206 227.6969 -203192.4595 2800.3027 0.0000 0.0000 51876.9153 -109366.1199 298.1373 -161243.0352 -109006.7115 298.9457 -119.7934 -95.1845 763019.7427 1.6660 1.5849 PRESSURE: 1993000 134.299 51.8313 29.3586 51.8318 42.4344 -493.601 29.3588 -493.601 312.8 GPRESSURE: 1993000 201.325 -59.7336 37.8496 -27.8342 196.293 -528.602 -78.7655 -378.751 181.855 PRESSAVG: 1993000 14.9623 5.49641 48.0343 5.49655 1.50522 47.5182 48.0343 47.5182 22.1102 GPRESSAVG: 1993000 15.6384 1.18879 46.3984 6.11554 1.85089 49.7522 50.6462 45.8276 21.2848 TIMING: 1993000 CPU: 6227.21, 0.00311727/step Wall: 6227.21, 0.00311727/step, 2.60379 hours remaining, 233.230469 MB of memory in use. ENERGY: 1993000 4008.0425 20335.1617 14478.2130 236.7412 -203582.6138 3013.4588 0.0000 0.0000 52018.8234 -109492.1733 298.9529 -161510.9967 -109134.3842 298.4767 163.1780 193.1578 762982.0725 12.8593 12.9247 PRESSURE: 1993200 -77.9279 241.505 71.6616 241.505 -33.344 18.4989 71.6608 18.4986 -187.473 GPRESSURE: 1993200 -34.0336 308.375 25.5218 155.363 -72.8959 -64.6666 41.3794 83.4065 -127.794 PRESSAVG: 1993200 25.2619 21.6588 7.43427 21.6587 5.31261 1.57094 7.43431 1.57088 -12.1722 GPRESSAVG: 1993200 25.2247 25.6897 8.49441 20.6541 3.55119 0.54246 4.71327 4.40509 -10.576 TIMING: 1993200 CPU: 6227.83, 0.00311222/step Wall: 6227.83, 0.00311222/step, 2.59939 hours remaining, 233.230469 MB of memory in use. ENERGY: 1993200 4037.9930 20416.0333 14481.8912 245.7697 -203267.9155 2851.4653 0.0000 0.0000 51712.4093 -109522.3537 297.1919 -161234.7631 -109157.1953 298.3769 -99.5816 -78.2411 763381.4762 6.1341 6.0667 PRESSURE: 1993400 83.5686 216.285 -50.6109 216.284 -322.791 51.2085 -50.6106 51.2094 -380.874 GPRESSURE: 1993400 -22.7 257.706 -21.8033 352.463 -198.742 118.814 -28.5595 -29.075 -309.488 PRESSAVG: 1993400 -34.2299 -46.357 19.9289 -46.357 -1.49252 36.0154 19.929 36.0155 -16.8585 GPRESSAVG: 1993400 -34.979 -48.5978 20.0928 -45.1101 0.378664 33.7116 21.9323 34.7618 -18.146 TIMING: 1993400 CPU: 6228.46, 0.00313829/step Wall: 6228.46, 0.00313829/step, 2.621 hours remaining, 233.230469 MB of memory in use. ENERGY: 1993400 3972.1642 20528.9151 14479.4153 256.0043 -203217.1630 2580.3945 0.0000 0.0000 52125.1137 -109275.1559 299.5637 -161400.2695 -108916.3108 298.1803 -206.6990 -176.9767 764392.7852 -17.5270 -17.5821 PRESSURE: 1993600 -163.511 -9.1443 80.3109 -9.14371 86.1816 42.94 80.311 42.9391 -19.9909 GPRESSURE: 1993600 -104.821 128.973 49.6737 -82.3885 52.6019 -15.8166 140.484 8.81705 33.1616 PRESSAVG: 1993600 -12.5324 7.97649 -47.7748 7.97651 53.4179 26.0722 -47.7748 26.0721 7.00403 GPRESSAVG: 1993600 -13.4845 9.76328 -47.6539 7.16492 53.6733 28.9493 -49.2332 24.715 7.38939 TIMING: 1993600 CPU: 6229.08, 0.00311633/step Wall: 6229.08, 0.00311633/step, 2.60248 hours remaining, 233.230469 MB of memory in use. ENERGY: 1993600 4010.7840 20362.9960 14373.9677 256.5273 -203303.4267 2852.9467 0.0000 0.0000 51880.0661 -109566.1389 298.1555 -161446.2050 -109199.1102 298.9139 -32.4401 -6.3526 764503.7523 15.9632 15.8594 PRESSURE: 1993800 -530.187 9.70361 -65.6817 9.703 61.0481 8.77478 -65.6827 8.77395 197.283 GPRESSURE: 1993800 -392.1 5.01425 -124.567 -76.1277 73.1543 140.768 11.4585 18.3466 140.189 PRESSAVG: 1993800 19.7347 53.9873 -11.7149 53.9873 -46.7691 6.19274 -11.7149 6.19284 2.32879 GPRESSAVG: 1993800 21.4075 52.5189 -12.5685 54.4802 -47.7609 5.40297 -10.6496 6.49367 1.75762 TIMING: 1993800 CPU: 6229.71, 0.00312434/step Wall: 6229.71, 0.00312434/step, 2.60899 hours remaining, 233.230469 MB of memory in use. ENERGY: 1993800 4012.3139 20509.7068 14424.3300 260.8065 -203512.0859 2805.0299 0.0000 0.0000 51756.3358 -109743.5629 297.4444 -161499.8987 -109375.9472 297.9978 -90.6185 -59.5856 762982.8999 -8.2352 -8.1986 PRESSURE: 1994000 -68.3649 63.0381 -131.489 63.0375 -127.879 50.0857 -131.49 50.0863 -69.694 GPRESSURE: 1994000 -52.6744 3.82537 -189.327 68.8987 -145.419 159.124 -75.0585 36.0696 33.9106 PRESSAVG: 1994000 -22.4195 27.8476 17.7168 27.8476 -3.94844 24.7682 17.7167 24.7682 9.97732 GPRESSAVG: 1994000 -22.3811 28.9283 14.9126 27.9174 -3.71288 24.7636 19.5846 25.3292 9.89285 TIMING: 1994000 CPU: 6230.33, 0.00312391/step Wall: 6230.33, 0.00312391/step, 2.60846 hours remaining, 233.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1994000 3997.5342 20351.2851 14455.2475 244.6385 -203510.7567 2725.6869 0.0000 0.0000 51967.1833 -109769.1812 298.6561 -161736.3645 -109407.8043 297.6766 -88.6461 -54.7277 761559.5553 -5.4635 -5.4004 PRESSURE: 1994200 -238.543 65.7171 73.8195 65.7177 -410.746 -2.01198 73.8192 -2.0121 -370.86 GPRESSURE: 1994200 -270.768 150.176 142.904 51.8443 -363.214 12.8823 176.167 80.3507 -328.629 PRESSAVG: 1994200 -3.27016 -4.29782 -58.5053 -4.29779 -21.4117 40.3915 -58.5053 40.3916 3.7638 GPRESSAVG: 1994200 -4.18239 -3.50636 -55.8774 -5.621 -20.8598 39.0477 -59.8179 41.634 4.10281 TIMING: 1994200 CPU: 6230.95, 0.00312194/step Wall: 6230.95, 0.00312194/step, 2.60664 hours remaining, 233.230469 MB of memory in use. ENERGY: 1994200 4016.3356 20561.9513 14468.3555 242.4597 -203307.4447 2571.3523 0.0000 0.0000 51743.2231 -109703.7671 297.3690 -161446.9903 -109344.1368 297.3518 -340.0498 -320.8703 763462.8721 -6.9727 -6.9798 PRESSURE: 1994400 -1.43272 -167.521 210.545 -167.521 72.8676 137.838 210.544 137.837 -50.946 GPRESSURE: 1994400 63.3615 -166.822 138.543 -160.538 113.581 215.538 117.953 27.7218 -81.2911 PRESSAVG: 1994400 -51.5357 -26.0781 1.7956 -26.0781 32.3968 75.2325 1.7956 75.2325 -23.0561 GPRESSAVG: 1994400 -52.8956 -27.281 -0.20118 -23.8466 33.5085 76.2637 3.01534 72.343 -23.4774 TIMING: 1994400 CPU: 6231.58, 0.00311056/step Wall: 6231.58, 0.00311056/step, 2.59697 hours remaining, 233.230469 MB of memory in use. ENERGY: 1994400 4030.2157 20594.3487 14414.6522 249.1097 -203174.7775 2780.9506 0.0000 0.0000 51728.5811 -109376.9196 297.2849 -161105.5007 -109007.9625 297.6441 6.8296 31.8838 763513.7069 -14.0650 -14.2882 PRESSURE: 1994600 19.7401 26.3466 -169.479 26.3466 174.241 37.8156 -169.479 37.8151 19.045 GPRESSURE: 1994600 45.2558 53.2429 -148.537 61.2409 216.539 27.5252 -71.146 22.4274 36.0701 PRESSAVG: 1994600 4.99257 40.6868 14.2794 40.6868 6.62143 21.5583 14.2795 21.5582 7.5593 GPRESSAVG: 1994600 6.74212 42.4074 16.6345 39.7064 4.01122 21.424 14.8919 22.649 7.53329 TIMING: 1994600 CPU: 6232.2, 0.00310548/step Wall: 6232.2, 0.00310548/step, 2.59256 hours remaining, 233.230469 MB of memory in use. ENERGY: 1994600 3989.5202 20539.4289 14412.8157 242.6046 -203522.8407 3017.7518 0.0000 0.0000 52124.4457 -109196.2738 299.5599 -161320.7195 -108826.3481 298.8645 71.0087 99.2882 762032.7073 6.3911 6.0955 PRESSURE: 1994800 296.88 57.7927 143.927 57.7935 -75.3985 43.5249 143.927 43.5235 -17.7045 GPRESSURE: 1994800 269.745 52.2932 196.885 133.463 16.6615 23.4307 235.522 25.036 -13.4782 PRESSAVG: 1994800 -19.3446 -10.1012 28.6191 -10.1012 8.84113 43.261 28.6191 43.261 4.57577 GPRESSAVG: 1994800 -19.7165 -9.10946 28.8 -11.4414 9.12453 44.2888 27.6783 44.4087 4.95831 TIMING: 1994800 CPU: 6232.82, 0.00310384/step Wall: 6232.82, 0.00310384/step, 2.59101 hours remaining, 233.230469 MB of memory in use. ENERGY: 1994800 4010.1376 20532.7204 14346.9062 247.1982 -203146.9072 2864.2628 0.0000 0.0000 52101.6335 -109044.0486 299.4288 -161145.6821 -108684.0526 299.0070 67.9256 90.9760 761569.4432 -1.9759 -1.8779 PRESSURE: 1995000 -179.517 36.2803 -144.869 36.2802 -59.4776 -49.8878 -144.87 -49.8874 -108.986 GPRESSURE: 1995000 -108.065 74.6315 -268.948 -13.0236 -86.1897 -26.8767 -50.6267 40.9672 -93.5533 PRESSAVG: 1995000 -40.1423 30.1037 -10.1674 30.1038 27.6053 62.4924 -10.1674 62.4924 7.60995 GPRESSAVG: 1995000 -39.8315 31.077 -11.0083 30.331 27.716 61.2127 -10.4789 62.7867 7.35771 TIMING: 1995000 CPU: 6233.44, 0.003124/step Wall: 6233.44, 0.003124/step, 2.60767 hours remaining, 233.230469 MB of memory in use. ENERGY: 1995000 3992.5751 20590.2010 14482.4201 239.0172 -203313.4661 2708.0827 0.0000 0.0000 52185.7378 -109115.4321 299.9122 -161301.1700 -108750.3277 298.8167 -115.9938 -95.9360 762467.4337 -1.6423 -1.5859 PRESSURE: 1995200 -121.162 -103.364 -185.14 -103.365 -198.101 132.5 -185.14 132.502 -325.783 GPRESSURE: 1995200 -80.023 -70.9348 -126.645 -231.274 -188.885 87.6698 -250.653 205.02 -293.88 PRESSAVG: 1995200 3.16946 32.74 -23.6029 32.74 11.3835 65.8522 -23.6029 65.8523 -13.4961 GPRESSAVG: 1995200 3.68878 30.6866 -24.7465 33.4194 10.1731 66.4763 -25.1066 65.6829 -13.3362 TIMING: 1995200 CPU: 6234.07, 0.00312013/step Wall: 6234.07, 0.00312013/step, 2.60427 hours remaining, 233.230469 MB of memory in use. ENERGY: 1995200 3987.8762 20509.4914 14514.8346 229.7549 -202967.9792 2607.2162 0.0000 0.0000 52161.3085 -108957.4975 299.7718 -161118.8060 -108595.4939 299.7000 -215.0153 -187.5962 764123.7254 0.3523 0.1752 PRESSURE: 1995400 -48.2217 -46.2818 128.466 -46.2801 40.3883 115.968 128.467 115.969 -9.46929 GPRESSURE: 1995400 -34.0355 -180.568 109.885 -5.57188 101.569 81.7555 38.0921 20.5795 -12.6766 PRESSAVG: 1995400 -3.01683 6.57874 -24.5729 6.57867 -2.45009 33.4693 -24.573 33.4693 -19.7432 GPRESSAVG: 1995400 -3.50939 5.09951 -23.6564 7.14276 -0.746493 32.2663 -23.4193 32.4822 -21.014 TIMING: 1995400 CPU: 6234.69, 0.00313551/step Wall: 6234.69, 0.00313551/step, 2.61694 hours remaining, 233.230469 MB of memory in use. ENERGY: 1995400 3983.7404 20506.3706 14496.8126 269.1138 -203206.0921 2796.8741 0.0000 0.0000 52229.0160 -108924.1646 300.1609 -161153.1806 -108555.7953 299.4902 -5.7676 18.2855 763741.5483 -8.4034 -8.4233 PRESSURE: 1995600 -142.699 -56.1538 -44.9849 -56.1534 -59.9743 -65.6421 -44.9849 -65.6413 -514.019 GPRESSURE: 1995600 12.048 -118.379 -55.3466 -52.7192 -137.179 -25.395 -1.5273 -26.0075 -512.755 PRESSAVG: 1995600 6.01577 -66.6251 1.69642 -66.6251 -15.7849 0.904337 1.69638 0.904343 13.9978 GPRESSAVG: 1995600 5.83151 -64.1715 1.72773 -66.5775 -16.7519 2.38987 1.81456 1.15357 15.3173 TIMING: 1995600 CPU: 6235.32, 0.0031344/step Wall: 6235.32, 0.0031344/step, 2.61583 hours remaining, 233.230469 MB of memory in use. ENERGY: 1995600 3991.7243 20574.5361 14520.0422 254.9476 -202669.1891 2390.6776 0.0000 0.0000 52131.8167 -108805.4446 299.6023 -160937.2613 -108433.8791 299.8652 -238.8975 -212.6285 762967.5527 1.4095 1.4656 PRESSURE: 1995800 -253.74 -67.1496 15.4079 -67.1496 -66.0243 179.932 15.4082 179.933 12.356 GPRESSURE: 1995800 -272.726 -139.992 -44.8645 -90.4749 30.3423 113.533 106.804 69.3897 24.5299 PRESSAVG: 1995800 -6.23595 -5.29554 -17.2788 -5.2956 -7.13021 9.27627 -17.2788 9.27635 3.10932 GPRESSAVG: 1995800 -6.36546 -6.02934 -18.4454 -5.57007 -6.14536 9.33522 -18.3159 11.1016 2.54057 TIMING: 1995800 CPU: 6235.94, 0.00310959/step Wall: 6235.94, 0.00310959/step, 2.59495 hours remaining, 233.230469 MB of memory in use. ENERGY: 1995800 4038.9862 20513.1529 14559.6684 237.0346 -202440.1090 2236.8274 0.0000 0.0000 52085.8157 -108768.6238 299.3379 -160854.4395 -108390.2021 300.0224 -102.4693 -72.6181 761269.4335 -3.4189 -3.3234 PRESSURE: 1996000 -162.558 -222.168 -41.8339 -222.168 15.6212 321.148 -41.8327 321.147 -16.3301 GPRESSURE: 1996000 -35.4324 -216.365 -25.9162 -242.16 -10.317 291.034 -115.718 241.11 -23.0917 PRESSAVG: 1996000 48.3565 8.61815 -13.4884 8.61814 -36.1725 58.5385 -13.4884 58.5385 -2.51111 GPRESSAVG: 1996000 48.9529 8.45494 -12.0455 6.19867 -37.9922 57.6855 -16.4697 57.4691 -1.65452 TIMING: 1996000 CPU: 6236.57, 0.00312479/step Wall: 6236.57, 0.00312479/step, 2.60747 hours remaining, 233.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1996000 4001.1779 20426.4446 14501.0722 241.5203 -202400.8094 2419.2564 0.0000 0.0000 52113.8647 -108697.4734 299.4991 -160811.3381 -108336.1372 300.3376 -54.4223 -22.9471 763417.2028 3.2243 3.1021 PRESSURE: 1996200 -3.09776 -37.725 146.066 -37.7255 165.017 215.467 146.065 215.469 37.9098 GPRESSURE: 1996200 14.326 -166.916 89.5998 -32.9585 237 163.57 166.185 262.295 30.6546 PRESSAVG: 1996200 -1.40301 -33.0418 0.086129 -33.0418 33.874 39.2039 0.0861018 39.204 -8.91689 GPRESSAVG: 1996200 -2.00206 -33.053 -0.876304 -31.3427 35.514 39.2044 1.51324 39.8088 -9.83671 TIMING: 1996200 CPU: 6237.19, 0.00312847/step Wall: 6237.19, 0.00312847/step, 2.61036 hours remaining, 233.230469 MB of memory in use. ENERGY: 1996200 3994.6225 20665.7232 14454.1283 257.5124 -202868.8870 2574.1930 0.0000 0.0000 52242.1512 -108680.5562 300.2364 -160922.7074 -108324.1856 300.6416 66.6098 93.9936 762681.4718 7.8514 7.8917 LDB: ============= START OF LOAD BALANCING ============== 6249.67 LDB: ============== END OF LOAD BALANCING =============== 6249.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6249.67 LDB: ============= START OF LOAD BALANCING ============== 6249.99 LDB: Largest compute 6985 load 0.031856 is 16.3% of average load 0.194982 LDB: Average compute 0.004424 is 2.3% of average load 0.194982 LDB: TIME 6249.99 LOAD: AVG 0.194982 MAX 0.217017 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 6249.99 LOAD: AVG 0.194982 MAX 0.217017 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.348 MB LDB: TIME 6249.99 LOAD: AVG 0.194982 MAX 0.217017 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.348 MB LDB: ============== END OF LOAD BALANCING =============== 6249.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6250 PRESSURE: 1996400 226.042 -300.484 97.5995 -300.484 -231.623 -411.152 97.6002 -411.15 -136.499 GPRESSURE: 1996400 374.671 -262.984 73.6435 -135.653 -218.961 -355.606 6.24598 -319.696 -222.09 PRESSAVG: 1996400 -21.3671 0.140768 29.9575 0.140682 -22.0941 18.9508 29.9575 18.9508 6.38063 GPRESSAVG: 1996400 -19.7902 2.23943 29.5447 0.718226 -23.4834 19.7386 33.7982 17.446 6.25308 TIMING: 1996400 CPU: 6237.83, 0.00318904/step Wall: 6237.83, 0.00318903/step, 2.66072 hours remaining, 235.535156 MB of memory in use. ENERGY: 1996400 4053.0498 20565.0354 14570.4018 256.1014 -202767.4638 2624.9235 0.0000 0.0000 52112.1338 -108585.8181 299.4891 -160697.9519 -108229.2201 300.2119 -47.3599 -22.1266 763678.5615 -12.3602 -12.3402 PRESSURE: 1996600 -55.0405 46.3116 -112.297 46.3124 5.47157 68.4481 -112.297 68.4487 446.895 GPRESSURE: 1996600 -51.6124 -77.8955 -60.8809 21.3108 71.0846 149.344 38.7415 -22.9253 438.802 PRESSAVG: 1996600 34.6854 -6.29318 15.7853 -6.29314 7.37043 26.4084 15.7853 26.4084 4.03933 GPRESSAVG: 1996600 33.4323 -11.252 18.0342 -4.69705 8.8497 25.462 13.1859 28.6271 3.69279 TIMING: 1996600 CPU: 6238.45, 0.00309577/step Wall: 6238.45, 0.00309577/step, 2.58274 hours remaining, 235.535156 MB of memory in use. ENERGY: 1996600 4001.0829 20455.7924 14494.7986 247.5806 -202629.9404 2436.9677 0.0000 0.0000 52040.9025 -108952.8156 299.0798 -160993.7181 -108583.6819 300.1274 132.4420 152.7579 762965.1877 15.3650 15.3249 PRESSURE: 1996800 -67.4797 -135.971 48.964 -135.971 18.2402 59.2967 48.9647 59.2962 -191.512 GPRESSURE: 1996800 -109.228 -212.757 -85.0681 -35.7156 57.9501 72.8572 129.627 126.09 -82.1689 PRESSAVG: 1996800 -14.3057 -3.67911 -0.493685 -3.67912 -32.4278 -29.1097 -0.493679 -29.1098 17.3483 GPRESSAVG: 1996800 -14.6875 -1.82499 -1.90986 -4.3546 -33.6207 -30.1136 0.884296 -28.4663 19.2472 TIMING: 1996800 CPU: 6239.07, 0.00311335/step Wall: 6239.07, 0.00311335/step, 2.59722 hours remaining, 235.535156 MB of memory in use. ENERGY: 1996800 4088.9459 20516.4742 14508.7061 241.4127 -202729.5218 2493.1122 0.0000 0.0000 52041.5129 -108839.3577 299.0833 -160880.8706 -108474.5629 299.8652 -80.2505 -44.4821 764586.2383 -9.7951 -9.6870 PRESSURE: 1997000 32.3079 -162.815 -219.882 -162.815 -86.1901 79.1488 -219.881 79.1485 -410.764 GPRESSURE: 1997000 18.8669 -63.4744 -231.324 -175.254 -78.5851 61.2035 -180.222 38.0977 -318.731 PRESSAVG: 1997000 19.6096 -41.3985 15.9191 -41.3984 -2.4388 -24.9609 15.9191 -24.9609 -6.55645 GPRESSAVG: 1997000 19.9202 -39.661 15.3695 -42.2839 -2.55085 -24.2421 15.5217 -27.7924 -6.93393 TIMING: 1997000 CPU: 6239.7, 0.00312661/step Wall: 6239.7, 0.00312661/step, 2.60812 hours remaining, 235.535156 MB of memory in use. ENERGY: 1997000 4026.4572 20507.4230 14517.7229 225.2656 -202855.1705 2777.6627 0.0000 0.0000 51979.4445 -108821.1946 298.7266 -160800.6390 -108454.8975 299.2730 -154.8821 -126.1497 763021.6092 3.5381 3.4785 PRESSURE: 1997200 -330.221 -164.382 206.582 -164.383 83.6199 -67.2524 206.582 -67.2524 61.3537 GPRESSURE: 1997200 -292.177 -175.933 132.605 -185.921 98.2787 -80.9583 215.314 -103.792 102.708 PRESSAVG: 1997200 3.81423 11.4081 36.5085 11.4081 15.8693 16.599 36.5085 16.599 -9.95176 GPRESSAVG: 1997200 4.41906 9.94831 37.0859 12.2086 15.6896 17.0402 36.3927 17.6599 -10.4811 TIMING: 1997200 CPU: 6240.32, 0.00311253/step Wall: 6240.32, 0.00311253/step, 2.5962 hours remaining, 235.535156 MB of memory in use. ENERGY: 1997200 3995.6552 20525.3714 14490.6144 229.7114 -202920.9720 2524.4845 0.0000 0.0000 52231.0564 -108924.0786 300.1726 -161155.1350 -108565.8237 299.5216 -61.7490 -30.3967 764012.7483 3.2439 3.2092 PRESSURE: 1997400 180.958 -34.9822 110.926 -34.9817 -189.08 155.445 110.925 155.447 417.437 GPRESSURE: 1997400 197.049 -32.3744 150.407 -19.7104 -78.9825 42.5829 108.479 33.7553 377.807 PRESSAVG: 1997400 21.6187 -32.682 47.6064 -32.682 -1.41799 57.4661 47.6064 57.4662 -10.0065 GPRESSAVG: 1997400 22.073 -32.7995 46.4246 -32.1481 -1.8015 57.554 48.3273 59.1425 -10.7552 TIMING: 1997400 CPU: 6240.94, 0.00311651/step Wall: 6240.94, 0.00311651/step, 2.59934 hours remaining, 235.535156 MB of memory in use. ENERGY: 1997400 3977.9881 20482.5546 14508.0528 236.4676 -202826.7627 2742.8095 0.0000 0.0000 52214.3464 -108664.5436 300.0766 -160878.8901 -108297.5171 299.7035 136.4385 165.2915 762712.5442 3.3980 3.1721 PRESSURE: 1997600 -154.534 -35.0804 1.84772 -35.0804 12.4067 171.516 1.84782 171.516 218.927 GPRESSURE: 1997600 -94.6454 -69.3744 74.0768 10.3111 56.9375 153.239 73.9692 23.9706 190.008 PRESSAVG: 1997600 13.9782 -9.20795 14.9061 -9.20795 -34.4986 12.6243 14.906 12.6243 -0.129264 GPRESSAVG: 1997600 13.4944 -8.89427 15.474 -9.2579 -34.6076 10.162 14.1218 11.2751 0.146111 TIMING: 1997600 CPU: 6241.57, 0.00312465/step Wall: 6241.57, 0.00312465/step, 2.60596 hours remaining, 235.535156 MB of memory in use. ENERGY: 1997600 4048.1329 20580.4572 14548.2087 265.1421 -202965.2981 2558.6158 0.0000 0.0000 52154.2539 -108810.4875 299.7312 -160964.7414 -108465.4291 299.9578 25.6000 50.7666 762197.2920 -6.8832 -6.9890 PRESSURE: 1997800 294.078 -31.4575 41.8535 -31.4577 169.658 -164.453 41.8537 -164.451 97.3983 GPRESSURE: 1997800 232.057 -19.9759 29.3041 -138.424 218.3 -361.1 254.052 -233.68 202.914 PRESSAVG: 1997800 -49.1802 4.33664 -31.7847 4.33661 39.5053 26.0743 -31.7847 26.0743 22.7216 GPRESSAVG: 1997800 -49.8368 5.17791 -31.3881 4.28988 39.2214 26.9642 -30.2045 26.3602 23.0211 TIMING: 1997800 CPU: 6242.19, 0.00311096/step Wall: 6242.19, 0.00311096/step, 2.59437 hours remaining, 235.535156 MB of memory in use. ENERGY: 1997800 3961.9045 20692.4926 14438.3407 232.3352 -203236.9653 2866.7911 0.0000 0.0000 52392.5991 -108652.5021 301.1010 -161045.1012 -108287.2586 300.2939 187.0446 217.7567 761558.8347 4.3489 4.1353 PRESSURE: 1998000 -62.9682 -207.542 21.8765 -207.542 -271.012 -82.0372 21.8761 -82.0371 61.214 GPRESSURE: 1998000 -26.7721 -171.694 48.9503 -224.001 -183.252 -16.5808 33.26 91.4138 7.06425 PRESSAVG: 1998000 -45.1986 -23.2721 24.0357 -23.2721 16.7026 28.8109 24.0357 28.8108 -13.2382 GPRESSAVG: 1998000 -44.8635 -23.8364 25.9737 -22.5674 16.1084 30.6048 24.7603 29.357 -12.791 TIMING: 1998000 CPU: 6242.82, 0.00312003/step Wall: 6242.82, 0.00312003/step, 2.60176 hours remaining, 235.535156 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: 1998000 4104.6768 20621.3669 14529.0085 230.0810 -202760.3590 2391.2841 0.0000 0.0000 52186.7803 -108697.1615 299.9181 -160883.9418 -108328.6378 300.5399 -90.9222 -67.6533 762047.1954 -13.9114 -13.8487 PRESSURE: 1998200 194.531 36.5882 33.4218 36.5876 36.4098 -4.99188 33.4226 -4.99123 282.587 GPRESSURE: 1998200 255.018 112.753 9.20213 -16.7146 98.2582 -83.48 51.9877 23.4548 258.567 PRESSAVG: 1998200 31.0268 32.0945 4.50446 32.0946 -2.92986 38.1236 4.50449 38.1235 8.34597 GPRESSAVG: 1998200 29.9466 32.5254 2.58902 32.3548 -1.6544 35.378 1.83863 39.9022 8.04982 TIMING: 1998200 CPU: 6243.44, 0.00310343/step Wall: 6243.44, 0.00310342/step, 2.58774 hours remaining, 235.535156 MB of memory in use. ENERGY: 1998200 3977.2142 20523.4679 14444.8952 257.5679 -203564.1628 3057.8516 0.0000 0.0000 52380.1320 -108923.0340 301.0293 -161303.1660 -108554.6891 300.4175 171.1761 203.9479 760629.1989 12.1477 12.1140 PRESSURE: 1998400 253.688 6.6036 109.227 6.60379 -202.663 36.4752 109.227 36.4757 315.589 GPRESSURE: 1998400 292.088 51.6804 135.88 -55.1056 -170.836 34.2756 100.909 85.6129 343.489 PRESSAVG: 1998400 10.7027 -0.23079 19.6127 -0.230774 -1.49823 -1.63513 19.6127 -1.63511 8.39756 GPRESSAVG: 1998400 11.2994 0.00410853 18.7386 -1.81402 -2.36359 -0.626659 23.227 -3.50727 8.68724 TIMING: 1998400 CPU: 6244.06, 0.00311231/step Wall: 6244.06, 0.00311231/step, 2.59497 hours remaining, 235.535156 MB of memory in use. ENERGY: 1998400 3986.9628 20468.9793 14609.2637 253.3889 -203115.1531 2664.7226 0.0000 0.0000 52124.1742 -109007.6616 299.5583 -161131.8357 -108654.8917 299.9612 122.2046 154.9137 761889.2935 5.8673 5.8743 PRESSURE: 1998600 262.204 35.9837 -134.398 35.9832 462.098 -127.425 -134.399 -127.426 250.433 GPRESSURE: 1998600 259.486 -42.7791 -134.429 149.959 512.172 -180.042 -63.9139 -103.35 298.498 PRESSAVG: 1998600 -43.5097 -2.46574 61.3477 -2.46572 16.8829 9.44435 61.3477 9.44431 -11.1331 GPRESSAVG: 1998600 -43.3645 -3.55177 60.349 0.196656 16.2522 9.71575 58.3932 10.5033 -10.7302 TIMING: 1998600 CPU: 6244.68, 0.00311977/step Wall: 6244.68, 0.00311977/step, 2.60102 hours remaining, 235.535156 MB of memory in use. ENERGY: 1998600 4048.3207 20448.2268 14596.5979 252.6089 -203400.8544 3090.5843 0.0000 0.0000 52255.9076 -108708.6081 300.3154 -160964.5157 -108344.7201 299.4431 324.9118 356.7187 762976.7725 -12.5866 -12.6141 PRESSURE: 1998800 6.63068 16.077 -81.5756 16.0775 -306.224 62.3556 -81.5757 62.3554 444.225 GPRESSURE: 1998800 55.0892 -49.1148 -102.224 -70.0765 -319.608 -52.2769 -80.3771 -33.4173 490.315 PRESSAVG: 1998800 -9.34989 -22.1725 23.7568 -22.1726 9.28145 -12.6315 23.7568 -12.6316 -10.0378 GPRESSAVG: 1998800 -9.4451 -22.3664 23.9752 -23.4493 9.22566 -13.2556 25.1385 -14.0657 -10.2392 TIMING: 1998800 CPU: 6245.3, 0.0031039/step Wall: 6245.3, 0.0031039/step, 2.58762 hours remaining, 235.535156 MB of memory in use. ENERGY: 1998800 3977.8947 20549.9174 14518.1925 261.4434 -202935.9840 2728.4121 0.0000 0.0000 52096.5578 -108803.5661 299.3996 -160900.1239 -108431.9186 300.1075 48.2106 75.2655 764457.4292 -3.3688 -3.4862 PRESSURE: 1999000 -351.906 69.7449 -57.7987 69.7454 -258.463 166.308 -57.7985 166.307 -122.337 GPRESSURE: 1999000 -341.426 169.633 -84.9481 40.6479 -205.407 237.065 -101.112 85.7689 -107.884 PRESSAVG: 1999000 -78.1064 21.6469 31.2014 21.647 26.4414 -9.39814 31.2013 -9.39812 -12.052 GPRESSAVG: 1999000 -77.3595 22.5718 32.4405 20.2397 27.1849 -9.00165 30.2079 -8.74067 -13.1397 TIMING: 1999000 CPU: 6245.93, 0.00312075/step Wall: 6245.93, 0.00312075/step, 2.60149 hours remaining, 235.535156 MB of memory in use. ENERGY: 1999000 4019.2153 20522.4468 14588.9252 259.1859 -203028.5795 2712.6238 0.0000 0.0000 51918.1555 -109008.0269 298.3744 -160926.1824 -108645.9320 299.6438 -244.2353 -218.2391 764578.0026 -21.2390 -21.1048 PRESSURE: 1999200 111.593 175.818 -95.445 175.818 -38.9987 35.8508 -95.446 35.8515 403.778 GPRESSURE: 1999200 109.506 107.612 -75.9953 150.915 24.5087 130.631 -54.2631 16.9685 404.276 PRESSAVG: 1999200 -12.9854 -11.8497 17.1163 -11.8497 21.3969 17.3908 17.1163 17.3909 25.6118 GPRESSAVG: 1999200 -13.9567 -12.3397 18.1814 -10.3955 21.7196 18.2374 16.227 17.3959 26.2684 TIMING: 1999200 CPU: 6246.55, 0.00310273/step Wall: 6246.55, 0.00310273/step, 2.5863 hours remaining, 235.535156 MB of memory in use. ENERGY: 1999200 4012.1079 20557.1546 14530.7155 251.5361 -203438.7022 2882.2461 0.0000 0.0000 52142.0736 -109062.8685 299.6612 -161204.9420 -108701.9078 299.1286 158.7908 179.4300 761663.1295 11.3411 11.3438 PRESSURE: 1999400 -50.5511 22.47 -148.292 22.4693 -194.585 75.8264 -148.292 75.8265 -32.8848 GPRESSURE: 1999400 -108.599 -55.6682 -70.4227 -35.3895 -198.508 -0.679016 -280.684 63.9977 113.425 PRESSAVG: 1999400 1.76673 29.1387 39.6218 29.1387 34.1921 23.4761 39.6217 23.4762 10.6602 GPRESSAVG: 1999400 1.524 29.8915 39.5376 29.3751 34.2696 23.1596 39.6015 21.1585 10.952 TIMING: 1999400 CPU: 6247.17, 0.00308809/step Wall: 6247.17, 0.00308809/step, 2.57392 hours remaining, 235.535156 MB of memory in use. ENERGY: 1999400 3961.2493 20583.4093 14511.8361 261.3407 -202962.6594 2642.3202 0.0000 0.0000 51947.0491 -109055.4547 298.5404 -161002.5038 -108704.5800 298.8830 -92.6735 -64.5608 764002.2008 15.5397 15.5819 PRESSURE: 1999600 -259.512 -37.6648 77.1437 -37.6652 -93.7467 190.934 77.1435 190.933 -120.954 GPRESSURE: 1999600 -302.69 -77.1257 17.9493 30.9081 -32.2811 164.291 5.33443 177.768 -46.7595 PRESSAVG: 1999600 -4.01896 -9.44085 -20.6255 -9.44084 -17.9994 -3.91849 -20.6256 -3.91848 -32.8747 GPRESSAVG: 1999600 -3.99474 -7.02547 -20.6648 -10.0754 -17.9365 -4.14621 -19.8229 -5.9788 -32.613 TIMING: 1999600 CPU: 6247.79, 0.00311073/step Wall: 6247.79, 0.00311073/step, 2.59262 hours remaining, 235.535156 MB of memory in use. ENERGY: 1999600 4002.6268 20572.4784 14484.3671 258.4507 -202688.8343 2349.6485 0.0000 0.0000 51720.5158 -109300.7470 297.2385 -161021.2628 -108947.2815 298.9305 -158.0709 -127.2434 763362.3496 -18.2977 -18.1814 PRESSURE: 1999800 477.35 81.1177 -9.36874 81.1172 289.044 78.3357 -9.36883 78.3363 18.0627 GPRESSURE: 1999800 533.333 214.052 -22.3041 14.0042 343.022 69.8985 -76.9721 100.607 -13.5138 PRESSAVG: 1999800 0.604381 8.91457 51.3637 8.91453 -14.115 26.2559 51.3637 26.2559 10.6872 GPRESSAVG: 1999800 1.8292 6.94038 51.2016 11.47 -13.8818 26.3074 53.3537 27.9003 10.0309 TIMING: 1999800 CPU: 6248.41, 0.00311183/step Wall: 6248.41, 0.00311183/step, 2.59336 hours remaining, 235.535156 MB of memory in use. ENERGY: 1999800 3966.8529 20560.1112 14480.5805 234.4049 -203177.5155 2962.5104 0.0000 0.0000 51845.6398 -109127.4158 297.9576 -160973.0556 -108768.2303 298.3363 261.4858 287.6138 762635.1760 -0.9411 -0.6739 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2000000 WRITING COORDINATES TO RESTART FILE AT STEP 2000000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2000000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2000000 68.7429 -199.126 -73.7067 -199.126 10.4824 -138.708 -73.706 -138.708 155.867 GPRESSURE: 2000000 66.7153 -241.107 26.0471 -116.646 80.1023 -91.4833 31.173 49.3876 176.969 PRESSAVG: 2000000 -43.615 8.6121 56.9286 8.61217 44.8278 -28.3639 56.9285 -28.364 -20.5694 GPRESSAVG: 2000000 -44.0321 9.99402 57.3404 5.369 44.4844 -28.6421 54.3484 -24.0947 -20.203 TIMING: 2000000 CPU: 6249.06, 0.00324373/step Wall: 6249.06, 0.00324373/step, 2.70311 hours remaining, 235.535156 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: 2000000 3988.4764 20521.9350 14567.3852 256.3936 -202969.8277 2517.4127 0.0000 0.0000 51849.7207 -109268.5041 297.9811 -161118.2248 -108908.0211 298.9561 78.3640 107.9289 763308.4254 -6.4522 -6.5835 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2000000 PRESSURE: 2000200 -226.875 -42.207 52.2764 -42.2089 -548.912 -170.557 52.2765 -170.557 -53.4242 GPRESSURE: 2000200 -191.073 70.7516 134.341 -114.629 -469.757 -160.454 -75.9991 -123.479 -62.2769 PRESSAVG: 2000200 3.57014 23.3308 46.9497 23.3308 6.4905 15.4813 46.9497 15.4813 -1.91803 GPRESSAVG: 2000200 2.90275 21.2615 48.424 23.6114 6.99514 16.4894 46.595 14.2698 -1.48901 TIMING: 2000200 CPU: 6249.68, 0.0031126/step Wall: 6249.68, 0.0031126/step, 2.59366 hours remaining, 235.535156 MB of memory in use. ENERGY: 2000200 4017.5414 20470.1926 14488.2862 244.4206 -203513.2821 2886.4747 0.0000 0.0000 52013.5746 -109392.7920 298.9227 -161406.3666 -109029.7941 298.9048 -276.4040 -241.0354 764543.0537 2.7142 2.8030 LDB: ============= START OF LOAD BALANCING ============== 6262.16 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6262.16 LDB: =============== DONE WITH MIGRATION ================ 6262.16 LDB: ============= START OF LOAD BALANCING ============== 6262.47 LDB: Largest compute 6985 load 0.029778 is 15.3% of average load 0.195061 LDB: Average compute 0.004391 is 2.3% of average load 0.195061 LDB: TIME 6262.47 LOAD: AVG 0.195061 MAX 0.217159 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.281 MB LDB: TIME 6262.47 LOAD: AVG 0.195061 MAX 0.217159 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.348 MB LDB: TIME 6262.47 LOAD: AVG 0.195061 MAX 0.217159 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.348 MB LDB: ============== END OF LOAD BALANCING =============== 6262.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6262.48 PRESSURE: 2000400 -301.779 9.95907 107.48 9.95888 -289.304 283.611 107.48 283.611 -271.622 GPRESSURE: 2000400 -252.086 69.8034 97.3388 -25.4482 -229.16 250.594 82.5651 106.857 -296.737 PRESSAVG: 2000400 46.3555 0.277617 52.288 0.277629 -56.8636 -13.6601 52.288 -13.6601 10.8712 GPRESSAVG: 2000400 45.9164 1.30781 50.405 -0.828491 -55.152 -14.8793 52.3834 -15.5907 9.56926 TIMING: 2000400 CPU: 6250.32, 0.00317126/step Wall: 6250.32, 0.00317126/step, 2.64236 hours remaining, 233.742188 MB of memory in use. ENERGY: 2000400 4048.7241 20525.3467 14519.6098 233.2608 -203422.9952 2864.1654 0.0000 0.0000 51808.6880 -109423.2005 297.7452 -161231.8885 -109063.5353 298.9278 -287.5679 -259.3277 762641.1134 0.1210 0.1112 PRESSURE: 2000600 -1.08452 156.35 -120.071 156.349 -124.157 -13.3617 -120.07 -13.3615 -288.485 GPRESSURE: 2000600 -27.4261 132.713 -33.7798 143.35 -66.2034 -17.6439 -169.826 -4.03664 -249.027 PRESSAVG: 2000600 -1.3406 32.6163 -20.7348 32.6164 16.2146 5.87944 -20.7348 5.87949 -29.0263 GPRESSAVG: 2000600 -0.210912 31.8762 -19.6244 33.2717 15.1351 8.26381 -20.4005 5.43329 -28.6299 TIMING: 2000600 CPU: 6250.94, 0.00312992/step Wall: 6250.94, 0.00312992/step, 2.60775 hours remaining, 233.742188 MB of memory in use. ENERGY: 2000600 4092.8493 20616.0284 14520.3003 239.2405 -203576.5729 2787.5111 0.0000 0.0000 51903.4905 -109417.1528 298.2901 -161320.6432 -109063.3470 298.8768 -137.9086 -114.2189 762433.5247 -4.7174 -4.5686 PRESSURE: 2000800 -415.472 59.9353 169.086 59.9362 331.244 -137.21 169.086 -137.209 -134.976 GPRESSURE: 2000800 -290.568 93.5917 31.6352 43.7001 242.098 -161.508 191.627 -50.935 -77.8541 PRESSAVG: 2000800 6.39387 12.024 35.9787 12.024 -3.87694 13.5494 35.9787 13.5494 1.10954 GPRESSAVG: 2000800 6.54897 12.8807 34.4513 12.0649 -4.55777 11.678 36.227 15.639 1.9343 TIMING: 2000800 CPU: 6251.56, 0.00311224/step Wall: 6251.56, 0.00311224/step, 2.59284 hours remaining, 233.742188 MB of memory in use. ENERGY: 2000800 3969.5615 20387.1418 14521.6081 246.8380 -203508.9433 2732.0026 0.0000 0.0000 52257.9256 -109393.8657 300.3270 -161651.7913 -109020.8311 299.0117 -73.0682 -42.1079 762019.1077 1.2088 1.3085 PRESSURE: 2001000 -67.3646 34.9572 41.8368 34.9565 203.258 149.055 41.8364 149.056 -430.226 GPRESSURE: 2001000 -69.4324 87.8295 43.7756 58.6615 225.167 107.076 105.683 39.908 -354.349 PRESSAVG: 2001000 17.1006 63.0417 39.9381 63.0417 24.0688 44.5271 39.9381 44.5271 10.3233 GPRESSAVG: 2001000 17.0353 63.6209 42.4728 64.6273 23.419 43.6369 38.0788 44.0786 10.3951 TIMING: 2001000 CPU: 6252.19, 0.00311002/step Wall: 6252.19, 0.00311002/step, 2.59082 hours remaining, 233.742188 MB of memory in use. ENERGY: 2001000 3955.3922 20641.2247 14521.9748 244.6466 -203280.9350 2754.9723 0.0000 0.0000 51932.0428 -109230.6817 298.4542 -161162.7245 -108871.1594 298.9414 -98.1106 -66.2047 762269.8268 17.1642 16.9498 PRESSURE: 2001200 227.083 -119.685 234.127 -119.685 -50.8544 198.62 234.127 198.619 61.4251 GPRESSURE: 2001200 215.738 -85.0162 180.029 -252.828 29.8024 211.999 251.949 321.914 56.6601 PRESSAVG: 2001200 -30.7937 -28.8594 39.402 -28.8594 46.6186 23.2553 39.402 23.2554 19.4377 GPRESSAVG: 2001200 -31.7807 -30.4326 37.7504 -31.2728 48.0703 23.8014 40.3578 23.5015 18.9558 TIMING: 2001200 CPU: 6252.82, 0.00314295/step Wall: 6252.82, 0.00314295/step, 2.61808 hours remaining, 233.742188 MB of memory in use. ENERGY: 2001200 4070.6455 20748.6006 14498.1080 256.4116 -203293.6266 2768.0772 0.0000 0.0000 51654.1652 -109297.6186 296.8572 -160951.7838 -108944.7450 299.0997 79.2178 100.7336 761909.1528 11.7542 11.7485 PRESSURE: 2001400 -118.916 -69.9944 -217.071 -69.9944 -201.69 52.7584 -217.071 52.7592 -256.347 GPRESSURE: 2001400 -134.408 -30.6635 -208.372 24.1227 -141.6 162.187 -146.473 -41.4055 -220.59 PRESSAVG: 2001400 3.64281 -4.12243 60.921 -4.12239 52.0221 -26.3136 60.921 -26.3135 33.2966 GPRESSAVG: 2001400 4.18004 -2.12291 61.7563 -3.20478 51.37 -26.2438 61.0646 -25.5989 33.2324 TIMING: 2001400 CPU: 6253.44, 0.00313642/step Wall: 6253.44, 0.00313642/step, 2.61246 hours remaining, 233.742188 MB of memory in use. ENERGY: 2001400 4135.2962 20611.6350 14411.6065 226.9000 -203490.5332 2845.8712 0.0000 0.0000 52055.1997 -109204.0245 299.1619 -161259.2241 -108843.1950 299.0385 -192.3175 -165.5324 761314.2215 29.6538 29.5941 PRESSURE: 2001600 -109.88 144.96 123.606 144.96 -104.855 -88.9021 123.606 -88.9014 -227.01 GPRESSURE: 2001600 -119.086 196.387 35.9258 99.7337 -63.6902 -24.2346 128.597 -238.141 -174.144 PRESSAVG: 2001600 -19.4215 40.8325 23.4953 40.8325 10.3075 -34.4272 23.4953 -34.4272 14.9615 GPRESSAVG: 2001600 -18.7017 39.9634 22.8354 41.4007 10.2368 -34.7522 24.4552 -35.8662 14.032 TIMING: 2001600 CPU: 6254.07, 0.00312736/step Wall: 6254.07, 0.00312736/step, 2.60474 hours remaining, 233.742188 MB of memory in use. ENERGY: 2001600 4003.2841 20755.6521 14509.9072 246.3297 -203437.2242 2918.3612 0.0000 0.0000 51881.1130 -109122.5770 298.1615 -161003.6899 -108768.3396 298.9457 -147.2482 -118.9733 763893.0826 1.9492 1.8557 PRESSURE: 2001800 -251.134 74.8074 71.5649 74.8076 134.67 -141.842 71.5653 -141.842 -103.734 GPRESSURE: 2001800 -191.426 14.0037 76.0246 94.5871 114.876 -140.817 -29.1238 -137.542 -55.9887 PRESSAVG: 2001800 -9.16341 28.749 41.2725 28.749 -5.05313 -27.8813 41.2725 -27.8813 -5.11466 GPRESSAVG: 2001800 -9.30203 25.4844 42.3173 28.1128 -5.42077 -26.9616 39.0988 -29.1472 -4.89192 TIMING: 2001800 CPU: 6254.7, 0.00316378/step Wall: 6254.7, 0.00316378/step, 2.6349 hours remaining, 233.742188 MB of memory in use. ENERGY: 2001800 4031.8773 20567.8333 14501.8895 247.5143 -203110.8140 2588.9481 0.0000 0.0000 52121.4714 -109051.2801 299.5428 -161172.7515 -108682.8558 299.2374 -73.3994 -44.1795 762254.6455 -6.4437 -6.5382 PRESSURE: 2002000 -82.6188 46.8117 86.3494 46.8121 167.218 138.591 86.3491 138.59 -308.378 GPRESSURE: 2002000 17.2031 -17.1517 81.4535 -102.778 132.537 111.501 86.5314 58.8301 -272.282 PRESSAVG: 2002000 45.3903 -18.6697 19.4523 -18.6698 -36.6653 -15.6384 19.4522 -15.6384 2.87089 GPRESSAVG: 2002000 46.4067 -17.1921 17.3955 -17.757 -38.0401 -15.0093 19.6055 -16.0102 2.51712 TIMING: 2002000 CPU: 6255.33, 0.00313178/step Wall: 6255.33, 0.00313178/step, 2.60808 hours remaining, 233.742188 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: 2002000 4030.4520 20596.1703 14533.9442 242.7410 -203348.5392 2930.5709 0.0000 0.0000 51917.1140 -109097.5467 298.3684 -161014.6607 -108740.3190 299.8258 -74.5930 -40.8472 762857.5239 3.8653 3.6279 PRESSURE: 2002200 235.582 265.142 -261.292 265.142 211.214 -164.244 -261.291 -164.245 168.857 GPRESSURE: 2002200 198 315.596 -209.187 333.442 232.123 -116.033 -202.341 -25.9724 259.741 PRESSAVG: 2002200 12.819 5.62092 -13.427 5.62097 10.2517 12.1453 -13.427 12.1454 -2.68246 GPRESSAVG: 2002200 11.3771 6.44028 -11.8799 5.84075 10.9422 11.5299 -11.3877 14.1837 -1.97023 TIMING: 2002200 CPU: 6255.95, 0.003119/step Wall: 6255.95, 0.003119/step, 2.59726 hours remaining, 233.742188 MB of memory in use. ENERGY: 2002200 3994.7977 20643.6987 14480.9201 241.6899 -203844.0490 3138.8549 0.0000 0.0000 52149.6966 -109194.3910 299.7050 -161344.0876 -108835.1544 299.7415 205.2179 229.9549 759462.7810 6.7961 6.7830 PRESSURE: 2002400 -64.4336 -124.237 174.725 -124.238 157.961 -68.4414 174.725 -68.4417 -282.48 GPRESSURE: 2002400 -52.2937 -123.745 215.77 -157.421 219.032 -123.095 47.9613 -112.252 -274.375 PRESSAVG: 2002400 33.8422 6.39864 -58.4487 6.39862 21.8805 -27.7922 -58.4486 -27.7922 6.88175 GPRESSAVG: 2002400 34.6234 6.65333 -59.5966 6.44058 22.0348 -28.6461 -59.1723 -29.211 5.64426 TIMING: 2002400 CPU: 6256.57, 0.00311388/step Wall: 6256.57, 0.00311388/step, 2.59283 hours remaining, 233.742188 MB of memory in use. ENERGY: 2002400 4041.1297 20569.9384 14530.7121 249.9195 -203431.8201 2726.5327 0.0000 0.0000 51905.3125 -109408.2752 298.3005 -161313.5877 -109038.2011 298.8453 -62.9840 -35.8788 761119.6344 20.8681 20.7675 PRESSURE: 2002600 -14.8336 -130.872 75.0024 -130.872 -197.732 84.0174 75.0027 84.0174 -156.876 GPRESSURE: 2002600 17.2624 -204.33 33.7888 -128.619 -207.32 98.7448 73.5545 -39.6755 -102.332 PRESSAVG: 2002600 -43.2801 -60.8542 -51.4217 -60.8542 19.8968 -5.41916 -51.4218 -5.41913 -5.67791 GPRESSAVG: 2002600 -42.8973 -61.8775 -49.6921 -61.4021 19.6526 -4.18606 -51.3622 -5.60561 -5.95053 TIMING: 2002600 CPU: 6257.2, 0.00311406/step Wall: 6257.2, 0.00311406/step, 2.5928 hours remaining, 233.742188 MB of memory in use. ENERGY: 2002600 3997.2566 20582.3777 14451.7681 260.4269 -203216.4472 2533.6458 0.0000 0.0000 51830.7571 -109560.2150 297.8721 -161390.9721 -109203.3913 298.3176 -123.1474 -97.4631 762535.5006 -9.6871 -9.7317 PRESSURE: 2002800 9.04228 149.904 -369.558 149.904 -352.521 -5.06447 -369.557 -5.06421 -546.841 GPRESSURE: 2002800 63.9445 127.512 -393.688 65.8612 -294.475 3.05811 -378.172 -66.6483 -575.603 PRESSAVG: 2002800 63.1123 -29.1076 -54.0438 -29.1076 -28.6809 -9.55846 -54.0438 -9.55845 26.3126 GPRESSAVG: 2002800 61.4113 -27.9079 -58.0328 -31.1663 -27.2139 -11.3847 -52.1088 -8.86826 26.5859 TIMING: 2002800 CPU: 6257.82, 0.00310612/step Wall: 6257.82, 0.00310612/step, 2.58602 hours remaining, 233.742188 MB of memory in use. ENERGY: 2002800 4058.0238 20624.3742 14541.0092 238.4637 -203313.1728 2551.0915 0.0000 0.0000 51800.6241 -109499.5864 297.6989 -161300.2105 -109149.1657 298.2778 -296.7733 -268.7111 762183.0399 20.2480 20.2611 PRESSURE: 2003000 -148.169 230.353 105.107 230.354 98.2185 49.3817 105.107 49.3813 -217.257 GPRESSURE: 2003000 -74.891 175.177 142.563 283.989 172.022 87.4139 19.0565 -23.8006 -267.726 PRESSAVG: 2003000 15.3157 -9.79029 -22.9656 -9.79029 21.5767 57.0539 -22.9655 57.054 -9.8752 GPRESSAVG: 2003000 14.8809 -7.17361 -19.2652 -8.34619 20.9031 58.8192 -25.684 56.4224 -9.44934 TIMING: 2003000 CPU: 6258.44, 0.00310783/step Wall: 6258.44, 0.00310783/step, 2.58727 hours remaining, 233.742188 MB of memory in use. ENERGY: 2003000 3974.7986 20545.1213 14460.1973 250.5556 -203805.3928 2819.3771 0.0000 0.0000 52152.5954 -109602.7476 299.7217 -161755.3430 -109239.0635 298.8453 -89.0691 -56.8648 760505.5579 9.0057 8.7782 PRESSURE: 2003200 -353.795 -10.8573 27.0324 -10.8565 -514.419 -30.3917 27.032 -30.3904 131.643 GPRESSURE: 2003200 -356.147 -81.4006 0.512552 -65.8424 -402.28 39.1362 40.6259 -133.461 97.7423 PRESSAVG: 2003200 17.4444 94.257 24.3235 94.2571 0.320435 16.9502 24.3236 16.9503 -6.02784 GPRESSAVG: 2003200 18.3585 92.5552 24.0873 94.3953 0.0939041 16.0597 24.8279 18.2179 -6.33588 TIMING: 2003200 CPU: 6259.07, 0.00313662/step Wall: 6259.07, 0.00313662/step, 2.61106 hours remaining, 233.742188 MB of memory in use. ENERGY: 2003200 3917.0759 20349.9636 14486.7127 271.4907 -203493.8701 2517.0443 0.0000 0.0000 52123.7994 -109827.7837 299.5562 -161951.5831 -109460.7437 298.7748 -245.5234 -220.2285 762729.7187 3.9123 4.0388 PRESSURE: 2003400 -56.5863 -7.18515 -81.5403 -7.18435 -140.413 54.2742 -81.5411 54.2754 -333.119 GPRESSURE: 2003400 -60.0377 68.9777 -102.616 30.2102 -134.551 174.702 -116.71 -34.3619 -258.442 PRESSAVG: 2003400 19.6606 5.93212 -50.1012 5.93218 -16.2335 39.229 -50.1012 39.2291 5.36218 GPRESSAVG: 2003400 19.4003 5.87823 -50.649 4.25141 -16.5929 39.4093 -47.6397 39.0787 5.82219 TIMING: 2003400 CPU: 6259.69, 0.00311348/step Wall: 6259.69, 0.00311348/step, 2.59163 hours remaining, 233.742188 MB of memory in use. ENERGY: 2003400 4004.1648 20514.8559 14440.8303 237.6654 -203359.9018 2671.8677 0.0000 0.0000 51493.5640 -109996.9537 295.9342 -161490.5177 -109648.2336 298.0684 -176.7061 -151.0103 762079.1044 2.9297 2.8765 PRESSURE: 2003600 -267.822 29.1505 10.6117 29.1513 38.6662 13.3177 10.6116 13.3174 -304.254 GPRESSURE: 2003600 -295.841 129.643 73.0525 -47.1322 90.3907 0.382003 -22.8483 55.6042 -251.338 PRESSAVG: 2003600 -12.6442 39.3388 -12.8892 39.3388 19.9726 31.6163 -12.8892 31.6164 1.85252 GPRESSAVG: 2003600 -11.9757 39.2081 -13.1673 41.1001 18.7273 31.2061 -14.5775 30.798 2.80627 TIMING: 2003600 CPU: 6260.31, 0.0031194/step Wall: 6260.31, 0.0031194/step, 2.59638 hours remaining, 233.742188 MB of memory in use. ENERGY: 2003600 4042.8071 20237.3909 14459.4337 238.8553 -203541.3114 2669.6200 0.0000 0.0000 51848.7958 -110044.4085 297.9757 -161893.2043 -109677.5678 297.3372 -177.8033 -152.2630 762515.3410 3.0603 3.1859 PRESSURE: 2003800 271.668 118.83 276.784 118.83 -338.722 90.4051 276.783 90.4053 -235.679 GPRESSURE: 2003800 246.636 75.5501 299.946 78.5357 -203.651 127.206 244.528 200.958 -255.835 PRESSAVG: 2003800 26.5749 30.6489 -19.1833 30.6489 -51.7135 28.073 -19.1832 28.073 30.8959 GPRESSAVG: 2003800 26.1144 30.3757 -19.3646 30.6388 -49.6393 27.9697 -17.4167 29.7277 29.9619 TIMING: 2003800 CPU: 6260.94, 0.00311843/step Wall: 6260.94, 0.00311843/step, 2.5954 hours remaining, 233.742188 MB of memory in use. ENERGY: 2003800 4020.4432 20290.9367 14513.7860 234.4824 -203772.8190 2893.1664 0.0000 0.0000 51933.9181 -109886.0863 298.4649 -161820.0043 -109518.6053 297.3892 -100.9110 -70.9499 761178.3619 1.9191 2.1457 PRESSURE: 2004000 23.2016 130.981 -52.8628 130.982 275.508 -23.321 -52.8628 -23.3209 -37.4793 GPRESSURE: 2004000 75.5953 176.996 -34.0005 265.071 373.522 -56.9285 -33.9562 67.9011 -96.5816 PRESSAVG: 2004000 -44.2461 27.4086 -44.1149 27.4086 22.4877 -12.481 -44.115 -12.481 -5.15945 GPRESSAVG: 2004000 -43.9301 26.5697 -43.1905 28.8961 21.8751 -12.4845 -45.5566 -11.8188 -4.44675 TIMING: 2004000 CPU: 6261.56, 0.00310661/step Wall: 6261.56, 0.00310661/step, 2.58539 hours remaining, 233.742188 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: 2004000 3942.9585 20522.5770 14513.1364 231.5156 -203708.8118 2921.3327 0.0000 0.0000 51753.8519 -109823.4399 297.4301 -161577.2917 -109456.6816 297.2306 87.0769 117.5119 761681.1564 -8.9726 -8.8339 PRESSURE: 2004200 -52.8299 78.1714 -83.1822 78.1722 -100.321 -229.125 -83.1821 -229.124 -123.948 GPRESSURE: 2004200 -45.5445 99.6534 -102.233 25.2638 -111.651 -268.623 -50.4048 -155.111 -36.0266 PRESSAVG: 2004200 -45.4656 23.1446 13.1131 23.1447 38.2679 15.0443 13.1131 15.0442 34.5341 GPRESSAVG: 2004200 -44.3786 24.5901 12.3293 20.2489 37.9359 14.6328 15.0286 13.4243 33.498 TIMING: 2004200 CPU: 6262.18, 0.003107/step Wall: 6262.18, 0.003107/step, 2.58554 hours remaining, 233.742188 MB of memory in use. ENERGY: 2004200 4042.9942 20451.2957 14491.4291 261.8382 -203153.3458 2611.7884 0.0000 0.0000 51558.9256 -109735.0747 296.3099 -161294.0003 -109382.0924 297.8262 -92.3661 -64.4073 760608.3121 9.1121 9.0184 LDB: ============= START OF LOAD BALANCING ============== 6274.66 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6274.66 LDB: =============== DONE WITH MIGRATION ================ 6274.66 LDB: ============= START OF LOAD BALANCING ============== 6274.97 LDB: Largest compute 6985 load 0.032029 is 16.4% of average load 0.194952 LDB: Average compute 0.004416 is 2.3% of average load 0.194952 LDB: TIME 6274.97 LOAD: AVG 0.194952 MAX 0.217833 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.793 MB LDB: TIME 6274.97 LOAD: AVG 0.194952 MAX 0.217833 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.793 MB LDB: TIME 6274.97 LOAD: AVG 0.194952 MAX 0.217152 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.793 MB LDB: ============== END OF LOAD BALANCING =============== 6274.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6274.98 PRESSURE: 2004400 -34.4085 126.995 -22.1595 126.994 -322.504 -293.843 -22.1593 -293.843 78.3241 GPRESSURE: 2004400 60.0662 102.662 -130.208 171.898 -308.19 -188.715 12.5699 -263.277 33.4988 PRESSAVG: 2004400 14.3306 -25.7083 22.3102 -25.7083 23.6511 8.77011 22.3102 8.77014 12.1087 GPRESSAVG: 2004400 13.6333 -25.5414 21.124 -22.0455 24.037 9.53973 21.3593 9.00857 12.2464 TIMING: 2004400 CPU: 6262.81, 0.00316528/step Wall: 6262.81, 0.00316528/step, 2.63387 hours remaining, 234.050781 MB of memory in use. ENERGY: 2004400 3927.0997 20452.2521 14480.3471 248.3601 -203420.5817 2643.3710 0.0000 0.0000 51922.5936 -109746.5580 298.3999 -161669.1516 -109380.7264 297.9341 -92.8629 -71.5416 761542.6924 16.6968 16.6389 PRESSURE: 2004600 -145.513 159.568 42.5872 159.568 -73.0127 132.299 42.5875 132.301 -346.324 GPRESSURE: 2004600 -77.6686 48.1362 96.5887 162.309 -66.0071 3.60065 164.385 127.37 -346.394 PRESSAVG: 2004600 -43.0235 26.295 18.2213 26.295 49.2587 -12.488 18.2212 -12.488 -17.5146 GPRESSAVG: 2004600 -42.1007 26.3834 19.4443 24.1734 47.6016 -12.837 18.0536 -14.7163 -16.5691 TIMING: 2004600 CPU: 6263.44, 0.00311953/step Wall: 6263.44, 0.00311953/step, 2.59563 hours remaining, 234.050781 MB of memory in use. ENERGY: 2004600 3925.9953 20501.2877 14478.0057 229.4651 -202965.3462 2432.4271 0.0000 0.0000 51920.4246 -109477.7406 298.3874 -161398.1652 -109117.6746 297.9937 -188.2832 -163.3567 762056.9629 -3.7598 -3.6894 PRESSURE: 2004800 -177.953 114.393 51.5508 114.393 -54.8078 122.927 51.5514 122.927 377.793 GPRESSURE: 2004800 -135.841 26.5033 9.08893 102.181 -5.75111 90.1645 72.2797 197.453 364.439 PRESSAVG: 2004800 -26.9267 -10.7076 8.53163 -10.7076 56.8669 -0.308432 8.53163 -0.308372 15.4873 GPRESSAVG: 2004800 -26.2007 -11.3986 9.20647 -10.7284 57.6568 0.584181 8.55546 -1.50356 14.1855 TIMING: 2004800 CPU: 6264.07, 0.00314569/step Wall: 6264.07, 0.00314569/step, 2.61721 hours remaining, 234.050781 MB of memory in use. ENERGY: 2004800 4012.1980 20437.8838 14457.8407 245.2563 -203149.6653 2639.9903 0.0000 0.0000 51919.4440 -109437.0522 298.3818 -161356.4962 -109083.9428 298.2675 48.3442 74.2824 762327.4339 15.1425 15.2139 PRESSURE: 2005000 -146.348 -41.0661 89.9218 -41.0654 -237.31 11.2965 89.9212 11.2972 100.464 GPRESSURE: 2005000 -148.928 41.1431 149.672 -114.538 -138.076 42.9828 35.9068 40.5872 76.6117 PRESSAVG: 2005000 7.80195 -4.54455 25.106 -4.54457 28.008 16.2397 25.1059 16.2397 -10.8619 GPRESSAVG: 2005000 6.94374 -4.10774 24.6342 -2.64399 29.1169 15.9791 23.512 19.7834 -11.3136 TIMING: 2005000 CPU: 6264.69, 0.00314149/step Wall: 6264.69, 0.00314149/step, 2.61355 hours remaining, 234.050781 MB of memory in use. ENERGY: 2005000 4097.8556 20415.4711 14471.8994 247.2427 -203652.0236 2973.4896 0.0000 0.0000 52016.0328 -109430.0324 298.9369 -161446.0652 -109064.5198 298.5577 -94.3979 -70.1306 762367.2311 8.3160 8.2490 PRESSURE: 2005200 386.416 -281.63 -54.447 -281.63 301.708 261.93 -54.4472 261.931 53.1008 GPRESSURE: 2005200 451.539 -209.08 -139.957 -172.702 298.962 229.962 -32.6162 119.647 72.4243 PRESSAVG: 2005200 -47.4026 -11.4324 -32.5757 -11.4324 85.268 -8.33627 -32.5757 -8.33628 -7.4404 GPRESSAVG: 2005200 -47.8019 -13.194 -34.0038 -13.1624 83.7299 -9.36976 -31.3126 -8.98605 -6.3607 TIMING: 2005200 CPU: 6265.32, 0.00313075/step Wall: 6265.32, 0.00313075/step, 2.60444 hours remaining, 234.050781 MB of memory in use. ENERGY: 2005200 3998.4495 20661.0823 14474.5039 235.5620 -203638.9929 2944.3378 0.0000 0.0000 52101.4429 -109223.6145 299.4277 -161325.0574 -108871.7593 299.3573 247.0748 274.3085 760981.2803 10.1417 9.8558 PRESSURE: 2005400 -115.888 -288.001 31.504 -288.001 -129.723 -18.2922 31.5039 -18.2916 51.7614 GPRESSURE: 2005400 -100.437 -284.267 -23.7007 -190.735 -77.3385 -10.0885 21.9494 -45.1756 73.6372 PRESSAVG: 2005400 -26.9153 -40.1261 -3.55487 -40.1261 28.3948 0.352341 -3.55493 0.352396 -5.90742 GPRESSAVG: 2005400 -27.3379 -39.4612 -2.49903 -38.8669 30.8425 0.500504 -5.33175 -0.133936 -7.60522 TIMING: 2005400 CPU: 6265.94, 0.00310945/step Wall: 6265.94, 0.00310945/step, 2.58654 hours remaining, 234.050781 MB of memory in use. ENERGY: 2005400 4029.2186 20530.4163 14510.0541 246.2718 -202988.0535 2521.0151 0.0000 0.0000 51777.4138 -109373.6638 297.5655 -161151.0776 -109015.1006 299.0151 -64.6167 -34.7128 760950.1355 -1.4760 -1.3669 PRESSURE: 2005600 110.88 2.54841 100.167 2.54848 -234.667 81.6072 100.167 81.6071 103.724 GPRESSURE: 2005600 145.137 -50.7293 37.1594 -68.5428 -187.677 89.4991 82.8466 125.477 98.7047 PRESSAVG: 2005600 15.3741 -38.2621 -35.1805 -38.2621 13.5319 -34.2977 -35.1804 -34.2978 2.07312 GPRESSAVG: 2005600 14.7294 -37.1235 -35.0808 -40.3108 12.8848 -34.0885 -35.016 -31.529 2.93929 TIMING: 2005600 CPU: 6266.56, 0.0031124/step Wall: 6266.56, 0.0031124/step, 2.58883 hours remaining, 234.050781 MB of memory in use. ENERGY: 2005600 3948.1516 20464.5988 14519.4454 246.8166 -203335.5348 2745.6658 0.0000 0.0000 52089.6250 -109321.2316 299.3598 -161410.8566 -108954.4529 299.1523 -6.6878 18.7216 758697.6329 10.3264 10.1845 PRESSURE: 2005800 -312.243 -51.0031 -123.21 -51.0024 235.995 8.69183 -123.209 8.69125 -119.33 GPRESSURE: 2005800 -178.163 -33.6723 -180.974 -36.5799 143.185 30.1034 -74.5681 -62.9351 -73.2644 PRESSAVG: 2005800 -56.9807 -52.572 -84.7505 -52.572 52.3461 70.6365 -84.7505 70.6365 -8.37319 GPRESSAVG: 2005800 -54.3748 -53.9526 -84.6144 -51.2556 49.4912 71.5254 -85.0922 67.7369 -8.12976 TIMING: 2005800 CPU: 6267.19, 0.00310744/step Wall: 6267.19, 0.00310744/step, 2.58453 hours remaining, 234.050781 MB of memory in use. ENERGY: 2005800 4049.3201 20483.2616 14464.0188 247.0819 -203344.6675 2636.8090 0.0000 0.0000 52251.0716 -109213.1044 300.2876 -161464.1760 -108847.3396 299.1334 -65.1926 -36.0806 759814.3176 -4.3359 -4.3378 PRESSURE: 2006000 0.391273 -79.6131 -88.1811 -79.6137 -145.548 -32.9709 -88.1819 -32.9701 285.629 GPRESSURE: 2006000 94.2419 41.2832 -157.046 -156.442 -110.314 -55.8627 4.6916 -52.3361 239.605 PRESSAVG: 2006000 -38.8807 -3.867 -18.3819 -3.86701 28.3503 36.5848 -18.3818 36.5847 2.56204 GPRESSAVG: 2006000 -41.6982 -2.31217 -18.583 -3.36511 30.1525 36.0468 -14.892 35.2317 2.81592 TIMING: 2006000 CPU: 6267.81, 0.00311585/step Wall: 6267.81, 0.00311585/step, 2.59135 hours remaining, 234.050781 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: 2006000 4078.7685 20556.6780 14473.1589 246.7027 -203236.5345 2678.3383 0.0000 0.0000 51725.3978 -109477.4905 297.2666 -161202.8883 -109125.2213 299.1891 46.8241 74.5110 761745.5335 -2.6561 -2.9099 PRESSURE: 2006200 -258.942 -150.062 18.1469 -150.062 -355.204 184.234 18.1466 184.233 -375.986 GPRESSURE: 2006200 -290.106 -174.578 34.4628 -151.792 -300.808 125.329 176.484 198.417 -302.384 PRESSAVG: 2006200 18.6772 0.608133 3.04037 0.608126 42.0539 51.7678 3.04029 51.7677 -0.0810897 GPRESSAVG: 2006200 19.7129 0.224988 4.2665 -0.338867 41.0562 51.8155 -1.22257 53.7969 -0.117843 TIMING: 2006200 CPU: 6268.43, 0.00310873/step Wall: 6268.43, 0.00310873/step, 2.58525 hours remaining, 234.050781 MB of memory in use. ENERGY: 2006200 3986.9103 20520.4846 14504.9136 236.7907 -203012.4721 2163.5197 0.0000 0.0000 52094.7668 -109505.0863 299.3893 -161599.8531 -109143.2934 298.6433 -330.0439 -297.7661 761762.4261 20.2166 20.2171 PRESSURE: 2006400 -224.56 -3.49805 47.2204 -3.49783 -259.585 -163.543 47.2201 -163.544 200.908 GPRESSURE: 2006400 -165.214 -57.7896 43.8702 -42.2556 -184.347 -107.851 79.8967 -64.7162 153.984 PRESSAVG: 2006400 -36.9271 -47.3387 -47.1541 -47.3387 56.0687 28.569 -47.1541 28.569 -0.95921 GPRESSAVG: 2006400 -36.3231 -48.1288 -49.0314 -47.7378 56.2168 28.4294 -44.412 29.2782 -1.82537 TIMING: 2006400 CPU: 6269.05, 0.00311132/step Wall: 6269.05, 0.00311132/step, 2.58724 hours remaining, 234.050781 MB of memory in use. ENERGY: 2006400 4017.0469 20494.0021 14487.4637 239.0573 -203492.9418 2822.0181 0.0000 0.0000 51826.4333 -109606.9206 297.8472 -161433.3539 -109247.6606 298.6024 -94.4123 -65.1925 761257.7470 6.0608 6.0228 PRESSURE: 2006600 41.7877 62.9535 84.2411 62.9534 -196.357 68.5442 84.2405 68.5448 -38.7413 GPRESSURE: 2006600 16.557 -33.0366 90.0722 126.412 -54.9732 -5.05586 154.258 7.13319 -84.5654 PRESSAVG: 2006600 21.2799 -25.2145 26.8955 -25.2145 4.86903 2.67063 26.8955 2.67067 -18.623 GPRESSAVG: 2006600 18.9303 -26.409 28.5833 -24.7628 6.59825 2.40411 25.34 1.37923 -17.7873 TIMING: 2006600 CPU: 6269.68, 0.00311445/step Wall: 6269.68, 0.00311445/step, 2.58967 hours remaining, 234.050781 MB of memory in use. ENERGY: 2006600 3967.4969 20564.1606 14519.7967 249.5801 -203887.9486 3073.8637 0.0000 0.0000 51787.0777 -109725.9728 297.6210 -161513.0505 -109370.4471 298.6248 -64.4370 -40.9939 763879.7198 2.5087 2.5804 PRESSURE: 2006800 30.6539 253.203 146.662 253.204 121.449 163.986 146.662 163.985 181.6 GPRESSURE: 2006800 71.2577 206.309 117.415 133.987 165.682 123.078 209.415 200.287 191.798 PRESSAVG: 2006800 -52.8857 -23.6933 -5.42035 -23.6933 73.7005 50.1675 -5.42037 50.1676 -0.547954 GPRESSAVG: 2006800 -51.1601 -20.6825 -8.22196 -24.7799 71.1664 49.3161 -2.58156 50.731 -0.109956 TIMING: 2006800 CPU: 6270.3, 0.00311102/step Wall: 6270.3, 0.00311102/step, 2.58664 hours remaining, 234.050781 MB of memory in use. ENERGY: 2006800 3963.3110 20455.8003 14437.9924 228.2698 -203695.0592 3009.3781 0.0000 0.0000 51817.7163 -109782.5912 297.7971 -161600.3074 -109426.0777 298.1872 111.2345 142.9126 762143.1065 6.7556 6.6321 PRESSURE: 2007000 159.406 73.5598 196.885 73.5591 475.958 100.177 196.884 100.176 336.446 GPRESSURE: 2007000 166.801 137.384 187.252 148.655 496.035 89.8842 99.6999 -16.4983 399.258 PRESSAVG: 2007000 45.4032 12.3252 77.0678 12.3252 -0.00543931 44.126 77.0678 44.1261 -23.5658 GPRESSAVG: 2007000 44.7523 10.1386 78.9913 14.7737 1.27441 43.4459 76.1631 44.6639 -24.1434 TIMING: 2007000 CPU: 6270.92, 0.00310531/step Wall: 6270.92, 0.00310531/step, 2.58172 hours remaining, 234.050781 MB of memory in use. ENERGY: 2007000 3858.2275 20569.4442 14532.9628 214.9744 -203824.7287 3040.2507 0.0000 0.0000 51821.5439 -109787.3252 297.8191 -161608.8691 -109433.0539 298.2903 323.9369 354.0315 760806.3018 7.2773 7.2945 PRESSURE: 2007200 336.482 -109.902 48.6892 -109.902 118.394 109.528 48.6891 109.528 -110.707 GPRESSURE: 2007200 350.075 -69.9068 19.75 -49.544 188.682 213.943 -50.506 19.2451 -109.699 PRESSAVG: 2007200 24.7304 -1.73674 -1.67302 -1.73683 -33.4927 -47.0324 -1.673 -47.0324 -4.95247 GPRESSAVG: 2007200 25.0141 -0.0815078 -1.84424 -2.3884 -33.9194 -43.556 -4.55434 -49.4334 -5.28459 TIMING: 2007200 CPU: 6271.54, 0.00310492/step Wall: 6271.54, 0.00310492/step, 2.58123 hours remaining, 234.050781 MB of memory in use. ENERGY: 2007200 3975.3213 20610.8204 14414.1573 248.4842 -203703.7891 2964.9735 0.0000 0.0000 51909.0847 -109580.9475 298.3222 -161490.0322 -109218.5107 298.2465 114.7227 143.0196 762351.0158 -4.5716 -4.7300 PRESSURE: 2007400 -315.636 -95.0118 74.3986 -95.012 64.7151 -33.2647 74.398 -33.2643 -233.938 GPRESSURE: 2007400 -194.311 20.1627 75.0907 13.9402 53.9432 20.7797 2.83857 -68.3537 -255.974 PRESSAVG: 2007400 -13.9811 1.43897 -30.2369 1.43896 -14.5344 -42.9276 -30.237 -42.9276 11.351 GPRESSAVG: 2007400 -14.3995 -0.692041 -30.6217 2.38972 -14.3394 -43.9209 -27.8132 -44.3787 11.6848 TIMING: 2007400 CPU: 6272.16, 0.00309431/step Wall: 6272.16, 0.00309431/step, 2.57223 hours remaining, 234.050781 MB of memory in use. ENERGY: 2007400 4022.3418 20366.3061 14393.2871 244.8631 -203238.6904 2656.4609 0.0000 0.0000 51638.5624 -109916.8690 296.7675 -161555.4314 -109550.7004 297.6656 -161.6195 -132.1140 764821.5415 -5.7215 -5.6847 PRESSURE: 2007600 -321.659 86.8522 -169.881 86.8512 -281.439 -75.9884 -169.88 -75.9875 157.821 GPRESSURE: 2007600 -294.9 -31.2837 -180.707 74.9402 -226.378 -101.671 -141.079 -158.515 149.669 PRESSAVG: 2007600 9.32778 -52.8836 -20.1578 -52.8837 30.1956 -11.927 -20.1578 -11.927 -18.1222 GPRESSAVG: 2007600 7.96149 -50.9256 -20.8084 -54.2574 31.0781 -12.672 -21.4244 -11.5837 -17.4184 TIMING: 2007600 CPU: 6272.78, 0.00309262/step Wall: 6272.78, 0.00309262/step, 2.57065 hours remaining, 234.050781 MB of memory in use. ENERGY: 2007600 3959.9468 20508.6893 14478.1013 234.5014 -203766.3831 2959.0502 0.0000 0.0000 51650.9083 -109975.1858 296.8385 -161626.0941 -109622.4304 297.6032 -148.4258 -123.8699 762698.2707 7.1337 7.2070 PRESSURE: 2007800 -75.7225 -64.71 -126.188 -64.7103 43.0345 -97.9868 -126.189 -97.9861 194.498 GPRESSURE: 2007800 -14.492 -95.7499 -171.187 -109.032 67.181 -114.275 16.0275 -86.0888 185.978 PRESSAVG: 2007800 -36.9999 3.98851 -37.7769 3.98854 36.7163 -19.1833 -37.7769 -19.1833 16.5525 GPRESSAVG: 2007800 -36.7338 1.83342 -38.0671 3.60197 36.2768 -19.931 -36.3556 -15.9308 16.7554 TIMING: 2007800 CPU: 6273.4, 0.00312152/step Wall: 6273.4, 0.00312152/step, 2.5945 hours remaining, 234.050781 MB of memory in use. ENERGY: 2007800 4041.9812 20501.2670 14507.2061 231.5604 -204158.1873 3185.4856 0.0000 0.0000 51881.9648 -109808.7221 298.1664 -161690.6869 -109445.9534 297.6405 53.9367 79.5556 763412.6550 5.4230 5.4328 PRESSURE: 2008000 -95.6585 210.924 -12.6556 210.925 -217.683 142.562 -12.6551 142.563 -237.963 GPRESSURE: 2008000 -74.2717 169.402 -81.6044 180.11 -119.676 174.548 -72.4579 176.83 -262.3 PRESSAVG: 2008000 -14.7051 26.2577 -37.6051 26.2577 15.1641 -0.000574307 -37.605 -0.00058104 -1.01776 GPRESSAVG: 2008000 -12.3407 26.5844 -35.4281 26.1718 14.52 -0.0360054 -38.9036 -0.229676 -2.45848 TIMING: 2008000 CPU: 6274.02, 0.00310861/step Wall: 6274.02, 0.00310861/step, 2.5836 hours remaining, 234.050781 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: 2008000 3975.8470 20625.8520 14482.4602 236.8061 -203781.4401 2706.4024 0.0000 0.0000 52048.5942 -109705.4782 299.1240 -161754.0724 -109338.2253 298.5081 -183.7683 -152.0825 762279.0412 -0.1863 -0.0931 PRESSURE: 2008200 -80.2366 32.0837 225.459 32.0828 -97.9855 -42.4343 225.459 -42.4345 -405.348 GPRESSURE: 2008200 -30.7812 29.7059 169.763 78.6665 -61.9984 -49.099 262.284 -140.883 -419.307 PRESSAVG: 2008200 11.7618 3.83242 18.6735 3.83244 -10.8068 12.4932 18.6735 12.4931 5.53395 GPRESSAVG: 2008200 10.7044 6.38339 16.1786 4.95934 -10.4289 13.5872 19.1669 11.7751 5.80687 TIMING: 2008200 CPU: 6274.65, 0.00312622/step Wall: 6274.65, 0.00312623/step, 2.59807 hours remaining, 234.050781 MB of memory in use. ENERGY: 2008200 3990.8223 20536.1626 14488.9002 228.0463 -203817.6539 2967.1997 0.0000 0.0000 51991.9835 -109614.5394 298.7986 -161606.5229 -109254.1608 298.9208 -194.5233 -170.6956 762462.8849 2.1630 2.0274 LDB: ============= START OF LOAD BALANCING ============== 6287.13 LDB: ============== END OF LOAD BALANCING =============== 6287.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6287.13 LDB: ============= START OF LOAD BALANCING ============== 6287.44 LDB: Largest compute 7058 load 0.030173 is 15.5% of average load 0.195015 LDB: Average compute 0.004392 is 2.3% of average load 0.195015 LDB: TIME 6287.44 LOAD: AVG 0.195015 MAX 0.214468 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.824 MB LDB: TIME 6287.44 LOAD: AVG 0.195015 MAX 0.214468 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.031 MB LDB: TIME 6287.44 LOAD: AVG 0.195015 MAX 0.214468 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.031 MB LDB: ============== END OF LOAD BALANCING =============== 6287.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6287.45 PRESSURE: 2008400 -8.77302 1.38482 27.4899 1.38365 -42.2638 -238.248 27.4894 -238.247 210.033 GPRESSURE: 2008400 33.9 20.9219 24.1704 -31.5671 19.4392 -308.258 21.0449 -274.335 184.339 PRESSAVG: 2008400 21.3228 -7.3246 -9.29584 -7.32469 39.7827 -6.78326 -9.29585 -6.78319 -11.7684 GPRESSAVG: 2008400 20.3377 -7.61606 -8.83705 -9.7575 39.242 -8.84029 -9.89693 -6.3197 -10.6399 TIMING: 2008400 CPU: 6275.28, 0.00316807/step Wall: 6275.28, 0.00316807/step, 2.63267 hours remaining, 235.535156 MB of memory in use. ENERGY: 2008400 3966.8009 20602.0913 14488.1230 241.0595 -203733.1351 2983.3434 0.0000 0.0000 52060.8417 -109390.8752 299.1944 -161451.7169 -109019.2729 298.7508 52.9988 79.2259 761797.1593 16.4457 16.3133 PRESSURE: 2008600 -299.804 -8.07406 -14.0624 -8.07466 97.9819 173.358 -14.0619 173.359 -378.617 GPRESSURE: 2008600 -315.673 69.6189 68.4726 -8.57541 108.526 161.834 64.6172 251.177 -293.258 PRESSAVG: 2008600 -2.69108 -27.0575 40.5051 -27.0575 -4.75295 -21.4159 40.5051 -21.4159 4.08956 GPRESSAVG: 2008600 -2.49091 -28.6885 41.4091 -24.4169 -3.77873 -19.9047 42.7665 -19.2883 3.62934 TIMING: 2008600 CPU: 6275.91, 0.00311396/step Wall: 6275.91, 0.00311396/step, 2.58752 hours remaining, 235.738281 MB of memory in use. ENERGY: 2008600 3924.4995 20524.8852 14445.2626 243.6986 -203370.1131 2634.8157 0.0000 0.0000 52130.3371 -109466.6144 299.5938 -161596.9515 -109100.1321 299.2277 -193.4798 -166.8015 763768.7008 -1.1182 -0.8801 PRESSURE: 2008800 543.451 4.12678 0.382073 4.12672 570.593 209.843 0.38188 209.843 -76.2962 GPRESSURE: 2008800 481.718 15.3735 -98.5615 -13.2753 608.766 203.524 -44.1408 7.31344 40.4258 PRESSAVG: 2008800 -12.467 -21.4713 -16.5497 -21.4713 47.0679 14.4654 -16.5496 14.4654 -2.73078 GPRESSAVG: 2008800 -12.6061 -21.6102 -16.9545 -24.8525 46.9196 14.3251 -19.3462 12.4026 -2.42155 TIMING: 2008800 CPU: 6276.53, 0.00311739/step Wall: 6276.53, 0.00311739/step, 2.5902 hours remaining, 235.738281 MB of memory in use. ENERGY: 2008800 3969.8336 20615.8495 14531.9906 270.2243 -203839.0362 3089.2209 0.0000 0.0000 52003.4302 -109358.4871 298.8644 -161361.9173 -108999.2252 298.8185 345.9161 376.9697 761038.5492 10.6234 10.6306 PRESSURE: 2009000 -30.4788 -41.8791 318.267 -41.8791 148.921 146.001 318.268 146 -17.8011 GPRESSURE: 2009000 144.232 -60.6858 179.945 -108.456 125.562 133.911 381.213 190.676 -96.8282 PRESSAVG: 2009000 -66.6597 61.2852 -3.95384 61.2851 -9.2758 -25.2254 -3.95385 -25.2254 3.48726 GPRESSAVG: 2009000 -65.489 61.8717 -5.24711 63.3769 -10.1477 -25.2471 -4.03621 -25.643 3.01734 TIMING: 2009000 CPU: 6277.15, 0.00312654/step Wall: 6277.15, 0.00312654/step, 2.59764 hours remaining, 235.738281 MB of memory in use. ENERGY: 2009000 4013.9172 20734.7305 14459.5191 255.0987 -203754.9999 2925.1810 0.0000 0.0000 51936.5931 -109429.9603 298.4803 -161366.5534 -109087.9680 298.6942 33.5469 57.6552 761736.3534 -24.1494 -24.2064 PRESSURE: 2009200 -308.607 -0.251861 151.746 -0.252008 -41.4982 -20.7801 151.745 -20.7804 -462.068 GPRESSURE: 2009200 -218.454 85.1261 132.749 -6.03297 -115.624 -22.7455 161.16 -79.5723 -388.66 PRESSAVG: 2009200 8.95863 30.1674 12.8929 30.1674 39.34 58.5566 12.8929 58.5565 -12.1263 GPRESSAVG: 2009200 8.99002 29.6775 14.2073 28.8293 38.9784 59.0845 12.7598 59.628 -11.9632 TIMING: 2009200 CPU: 6277.78, 0.00313508/step Wall: 6277.78, 0.00313508/step, 2.60455 hours remaining, 235.738281 MB of memory in use. ENERGY: 2009200 3893.5595 20527.8023 14470.4593 246.6333 -203244.5343 2570.5252 0.0000 0.0000 52234.9770 -109300.5777 300.1951 -161535.5546 -108933.6350 298.9725 -270.7246 -240.9127 763872.3471 12.0575 12.0017 PRESSURE: 2009400 -163.339 -109.665 -192.498 -109.665 -429.143 -174.167 -192.498 -174.167 -229.487 GPRESSURE: 2009400 -165.506 -151.361 -53.4829 47.6072 -315.536 -62.2797 -196.733 -162.115 -273.317 PRESSAVG: 2009400 -27.6393 -14.1356 41.9687 -14.1355 31.016 25.1623 41.9687 25.1623 -13.7149 GPRESSAVG: 2009400 -27.8899 -14.6083 43.4498 -13.2791 30.5305 24.0813 42.476 24.2997 -13.2494 TIMING: 2009400 CPU: 6278.4, 0.00311413/step Wall: 6278.4, 0.00311413/step, 2.58698 hours remaining, 235.738281 MB of memory in use. ENERGY: 2009400 3972.9872 20671.1107 14497.7653 247.8239 -203462.7613 2592.8010 0.0000 0.0000 52181.8762 -109298.3970 299.8900 -161480.2732 -108935.7450 299.3136 -273.9898 -251.4533 765505.0032 -3.4461 -3.5363 PRESSURE: 2009600 146.442 -41.4769 -86.3929 -41.4772 -205.347 -49.5495 -86.3926 -49.5488 4.02561 GPRESSURE: 2009600 113.463 -55.8136 -2.20138 63.3088 -132.548 -155.474 -197.848 -71.1322 67.4811 PRESSAVG: 2009600 -29.3646 -39.9536 -2.49028 -39.9536 22.9112 -22.3792 -2.49031 -22.3791 10.6644 GPRESSAVG: 2009600 -30.0274 -37.1487 -4.99679 -41.137 23.3133 -20.7435 -3.95773 -24.5411 10.6119 TIMING: 2009600 CPU: 6279.03, 0.00312356/step Wall: 6279.03, 0.00312356/step, 2.59464 hours remaining, 235.738281 MB of memory in use. ENERGY: 2009600 4034.2430 20676.8246 14556.2735 239.4921 -203595.5121 2861.0607 0.0000 0.0000 52147.1361 -109080.4821 299.6903 -161227.6182 -108717.1800 299.4201 -18.2931 16.1321 764050.5350 1.4037 1.2992 PRESSURE: 2009800 187.655 -129.505 -19.7006 -129.506 37.0348 -199.81 -19.7005 -199.81 179.187 GPRESSURE: 2009800 164.408 -168.045 -45.1816 -187.151 221.795 -231.012 -88.5367 -28.0333 109.021 PRESSAVG: 2009800 16.9737 -10.4604 24.624 -10.4604 -37.0112 -7.11098 24.624 -7.11092 14.1149 GPRESSAVG: 2009800 17.6725 -12.6575 25.2832 -10.9154 -36.8642 -7.3487 25.7848 -5.44839 13.4256 TIMING: 2009800 CPU: 6279.65, 0.00309162/step Wall: 6279.65, 0.00309162/step, 2.56793 hours remaining, 235.738281 MB of memory in use. ENERGY: 2009800 4002.6772 20364.4654 14510.4307 253.2107 -203606.0133 2957.1399 0.0000 0.0000 52111.2214 -109406.8679 299.4839 -161518.0893 -109033.3315 299.7309 134.6258 165.0748 764220.5373 -1.9742 -1.9220 PRESSURE: 2010000 57.5144 66.797 104.817 66.7971 128.058 74.2253 104.818 74.2245 241.088 GPRESSURE: 2010000 99.1395 60.2867 -3.63706 68.5853 167.321 -0.389769 214.618 33.4939 243.41 PRESSAVG: 2010000 12.8274 20.9136 27.2217 20.9136 -14.8413 -5.64309 27.2218 -5.64315 -0.0589788 GPRESSAVG: 2010000 13.822 21.114 25.636 23.2013 -16.3491 -4.83076 26.4357 -6.90007 0.163241 TIMING: 2010000 CPU: 6280.27, 0.00311476/step Wall: 6280.27, 0.00311476/step, 2.58698 hours remaining, 235.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2010000 3961.8169 20558.8482 14429.1641 234.4458 -203509.6956 2925.9235 0.0000 0.0000 52034.6722 -109364.8249 299.0440 -161399.4971 -109009.3638 299.0448 142.2199 169.9570 763813.0696 -0.6910 -0.7879 PRESSURE: 2010200 17.8928 -41.0635 139.239 -41.0634 -138.906 -46.4145 139.24 -46.4145 -100.407 GPRESSURE: 2010200 58.0587 2.49201 122.22 60.7209 -81.7726 -50.006 97.016 -130.072 -120.84 PRESSAVG: 2010200 -25.7015 60.9433 24.5909 60.9433 -6.5175 -20.8769 24.5909 -20.8769 1.9987 GPRESSAVG: 2010200 -26.6554 61.5972 26.707 58.8419 -5.91125 -22.9955 25.2652 -18.7941 2.46816 TIMING: 2010200 CPU: 6280.89, 0.00312342/step Wall: 6280.89, 0.00312342/step, 2.594 hours remaining, 235.738281 MB of memory in use. ENERGY: 2010200 4061.8665 20364.4461 14453.0759 234.4665 -203136.1245 2319.4439 0.0000 0.0000 52262.5924 -109440.2332 300.3538 -161702.8256 -109073.4674 298.7398 -73.8064 -48.1847 763752.5985 -10.0734 -10.0328 PRESSURE: 2010400 -152.535 173.995 -157.303 173.996 -521.273 -40.2423 -157.303 -40.242 -150.632 GPRESSURE: 2010400 -154.423 130.65 -230.979 136.605 -477.625 -90.0834 -174.872 -96.0342 -90.1733 PRESSAVG: 2010400 -25.8444 8.51581 -8.77611 8.51585 8.13884 -12.9344 -8.77616 -12.9343 -4.94252 GPRESSAVG: 2010400 -25.709 5.62218 -11.9642 12.2868 8.2479 -13.3553 -8.29119 -13.4205 -4.83083 TIMING: 2010400 CPU: 6281.51, 0.00309796/step Wall: 6281.51, 0.00309795/step, 2.57268 hours remaining, 235.738281 MB of memory in use. ENERGY: 2010400 4082.3880 20464.8207 14423.6784 228.2926 -202932.7070 2445.6087 0.0000 0.0000 52041.7598 -109246.1588 299.0847 -161287.9186 -108889.4767 299.3502 -274.8134 -240.7403 763055.7069 -7.5494 -7.4306 PRESSURE: 2010600 11.9527 58.9098 -76.9464 58.9087 83.5597 -48.6115 -76.9463 -48.6114 -180.888 GPRESSURE: 2010600 82.6418 157.552 -26.2711 221.71 107.019 66.9029 -32.0787 -90.2981 -193.074 PRESSAVG: 2010600 -2.46887 24.0094 20.5471 24.0094 28.9199 -36.0016 20.5471 -36.0016 11.6171 GPRESSAVG: 2010600 -1.97579 24.38 22.9606 23.4395 28.8308 -34.8394 19.7849 -37.0634 11.082 TIMING: 2010600 CPU: 6282.14, 0.00313794/step Wall: 6282.14, 0.00313794/step, 2.60571 hours remaining, 235.738281 MB of memory in use. ENERGY: 2010600 4027.7508 20643.0880 14455.6147 231.5667 -203343.5810 2531.5595 0.0000 0.0000 52256.6167 -109197.3846 300.3195 -161454.0012 -108838.5731 299.2221 -28.4585 -1.1378 761853.9207 12.6894 12.6457 PRESSURE: 2010800 26.2524 -85.542 7.58652 -85.5419 52.6005 -11.6742 7.58674 -11.6735 -348.961 GPRESSURE: 2010800 -10.0001 12.0322 40.2037 -87.2508 114.178 -57.684 -0.65559 18.6399 -291.688 PRESSAVG: 2010800 -5.2102 62.7399 22.152 62.7399 35.0087 -23.0011 22.152 -23.0011 -1.9571 GPRESSAVG: 2010800 -6.86292 66.0436 21.1028 62.0018 35.1618 -22.7545 22.9858 -22.5386 -1.31686 TIMING: 2010800 CPU: 6282.76, 0.00310896/step Wall: 6282.76, 0.00310896/step, 2.58148 hours remaining, 235.738281 MB of memory in use. ENERGY: 2010800 4016.6067 20514.1524 14478.3090 248.5263 -203289.4184 2712.6056 0.0000 0.0000 52004.7254 -109314.4930 298.8719 -161319.2184 -108951.3940 299.2375 -90.0361 -62.5034 763314.2196 9.2805 8.9940 PRESSURE: 2011000 -240.946 158.705 15.0926 158.704 -104.465 2.21922 15.0931 2.21928 -433.663 GPRESSURE: 2011000 -214.065 127.125 -20.0434 27.3654 -121.766 -47.551 87.7235 75.854 -355.866 PRESSAVG: 2011000 -4.49208 -0.190619 3.71427 -0.190592 14.0322 0.881827 3.71424 0.881769 3.63972 GPRESSAVG: 2011000 -4.74857 -0.411821 4.38647 -1.44026 14.4429 0.0786907 2.62233 1.7562 3.49466 TIMING: 2011000 CPU: 6283.39, 0.00310855/step Wall: 6283.39, 0.00310855/step, 2.58096 hours remaining, 235.738281 MB of memory in use. ENERGY: 2011000 4004.3942 20679.9364 14491.7802 267.2861 -203489.9508 2900.5788 0.0000 0.0000 52023.5548 -109122.4203 298.9801 -161145.9751 -108769.0956 299.1498 -259.6912 -230.5657 762289.6983 4.3933 4.3963 PRESSURE: 2011200 -88.2166 -236.377 -95.8595 -236.376 111.481 -116.554 -95.8597 -116.554 211.302 GPRESSURE: 2011200 -67.0252 -193.567 -104.152 -221.766 111.613 -224.701 -87.6387 -97.2128 285.884 PRESSAVG: 2011200 -89.9796 -9.40505 49.0961 -9.40505 74.737 -9.13858 49.096 -9.13864 14.5578 GPRESSAVG: 2011200 -89.6948 -11.971 50.7631 -10.9054 73.7735 -6.98552 48.7396 -12.2044 15.0084 TIMING: 2011200 CPU: 6284.01, 0.0031044/step Wall: 6284.01, 0.0031044/step, 2.57734 hours remaining, 235.738281 MB of memory in use. ENERGY: 2011200 4009.7854 20617.4081 14532.2091 239.6579 -203225.2261 2763.0004 0.0000 0.0000 52063.0157 -109000.1496 299.2069 -161063.1653 -108638.6918 299.6906 78.1889 110.1571 762452.0454 -0.2283 -0.3043 PRESSURE: 2011400 144.483 -210.817 -37.4233 -210.817 63.308 121.826 -37.4225 121.825 -218.283 GPRESSURE: 2011400 134.824 -103.479 101.822 -193.426 181.049 106.276 -162.474 62.7281 -227.571 PRESSAVG: 2011400 -35.0634 -38.3622 4.30392 -38.3623 56.4194 51.8933 4.30397 51.8934 1.48456 GPRESSAVG: 2011400 -33.9474 -36.3613 3.98309 -37.2251 55.9478 51.7476 3.86217 52.1282 0.617675 TIMING: 2011400 CPU: 6284.63, 0.00310537/step Wall: 6284.63, 0.00310537/step, 2.57797 hours remaining, 235.738281 MB of memory in use. ENERGY: 2011400 3955.8405 20577.4869 14554.3027 235.4381 -203392.6725 2924.5838 0.0000 0.0000 52056.5687 -109088.4518 299.1698 -161145.0205 -108729.5585 299.4945 -3.4974 29.4337 763177.3589 7.6135 7.5393 PRESSURE: 2011600 -82.6706 112.003 -140.306 112.003 -143.422 -27.7098 -140.307 -27.709 288.656 GPRESSURE: 2011600 41.8423 353.821 -130.082 132.234 -195.819 -81.7058 -101.52 17.4534 295.087 PRESSAVG: 2011600 -3.90764 -30.2609 -48.0189 -30.2609 71.6333 6.83443 -48.019 6.83442 -4.2931 GPRESSAVG: 2011600 -5.10804 -30.1487 -48.1978 -30.8027 73.4338 4.14513 -47.4474 8.68816 -4.75079 TIMING: 2011600 CPU: 6285.25, 0.00312403/step Wall: 6285.25, 0.00312403/step, 2.59329 hours remaining, 235.738281 MB of memory in use. ENERGY: 2011600 3970.4100 20670.1535 14442.1599 257.2092 -203185.8156 2714.2128 0.0000 0.0000 51875.1152 -109256.5550 298.1270 -161131.6702 -108901.8593 299.1346 20.8546 47.0368 763742.5715 21.1442 21.1917 PRESSURE: 2011800 94.8231 129.268 -0.641749 129.269 62.9075 125.198 -0.641064 125.199 325.292 GPRESSURE: 2011800 156.194 108.323 -15.5127 97.928 16.869 209.675 89.4351 86.2966 395.561 PRESSAVG: 2011800 -13.5858 11.0116 -15.9363 11.0116 9.34519 -19.9717 -15.9363 -19.9717 -15.2288 GPRESSAVG: 2011800 -13.7324 10.7869 -17.8811 11.5996 8.24838 -18.588 -15.4933 -18.8134 -13.6851 TIMING: 2011800 CPU: 6285.88, 0.00312094/step Wall: 6285.88, 0.00312094/step, 2.59055 hours remaining, 235.738281 MB of memory in use. ENERGY: 2011800 3919.3044 20593.7976 14494.9450 246.4058 -203495.6643 2916.4055 0.0000 0.0000 51976.9753 -109347.8309 298.7124 -161324.8061 -108988.9622 298.7265 161.0074 189.5413 763700.5355 -6.4898 -6.3897 PRESSURE: 2012000 -16.5993 62.905 -133.927 62.9064 213.851 -16.7135 -133.926 -16.7145 491.363 GPRESSURE: 2012000 82.3377 96.085 -51.9536 -21.8726 208.154 72.2083 -103.567 126.708 487.556 PRESSAVG: 2012000 -28.1031 -20.606 0.0635487 -20.606 35.9916 -8.91494 0.0635396 -8.91487 20.9681 GPRESSAVG: 2012000 -27.4544 -23.0451 2.39412 -19.7864 36.4219 -8.6815 0.921628 -10.6281 19.47 TIMING: 2012000 CPU: 6286.5, 0.00313219/step Wall: 6286.5, 0.00313219/step, 2.59972 hours remaining, 235.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2012000 3970.3416 20530.2743 14437.8361 245.8447 -203756.4995 3146.1904 0.0000 0.0000 52194.8729 -109231.1395 299.9647 -161426.0124 -108865.9462 298.9571 229.5382 259.3496 763176.4470 9.6188 9.4791 PRESSURE: 2012200 -24.4207 125.99 -72.911 125.991 -150.773 54.1162 -72.9109 54.1162 181.127 GPRESSURE: 2012200 12.8681 210.089 -23.1991 135.644 -115.429 72.6791 -67.7154 138.177 188.525 PRESSAVG: 2012200 -8.98861 39.1776 8.73027 39.1776 -20.4262 -13.2827 8.73028 -13.2828 13.0746 GPRESSAVG: 2012200 -8.42975 40.0302 5.16735 38.7395 -21.2837 -12.754 9.65067 -12.9257 13.0211 TIMING: 2012200 CPU: 6287.13, 0.00311436/step Wall: 6287.13, 0.00311436/step, 2.58474 hours remaining, 235.738281 MB of memory in use. ENERGY: 2012200 3956.7791 20610.9302 14383.7224 224.2522 -203673.6783 2966.7829 0.0000 0.0000 52173.0475 -109358.1639 299.8392 -161531.2114 -108992.6805 298.8705 1.9780 28.6546 762079.7655 -5.4467 -5.5641 LDB: ============= START OF LOAD BALANCING ============== 6299.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6299.6 LDB: =============== DONE WITH MIGRATION ================ 6299.6 LDB: ============= START OF LOAD BALANCING ============== 6299.91 LDB: Largest compute 7037 load 0.030187 is 15.5% of average load 0.195110 LDB: Average compute 0.004404 is 2.3% of average load 0.195110 LDB: TIME 6299.92 LOAD: AVG 0.19511 MAX 0.217706 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.379 MB LDB: TIME 6299.92 LOAD: AVG 0.19511 MAX 0.217706 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.379 MB LDB: TIME 6299.92 LOAD: AVG 0.19511 MAX 0.217706 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.379 MB LDB: ============== END OF LOAD BALANCING =============== 6299.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6299.93 PRESSURE: 2012400 -259.226 -59.9802 347.293 -59.9802 -243.883 -115.027 347.292 -115.026 -79.913 GPRESSURE: 2012400 -203.662 -55.3189 439.32 -119.457 -166.014 -21.289 318.546 -152.837 -135.5 PRESSAVG: 2012400 25.0067 -19.4062 26.1267 -19.4062 14.7032 50.1737 26.1267 50.1737 -1.82217 GPRESSAVG: 2012400 24.6788 -18.349 28.7019 -19.148 14.8795 49.8597 23.4433 49.3974 -1.91595 TIMING: 2012400 CPU: 6287.76, 0.00317064/step Wall: 6287.76, 0.00317064/step, 2.63128 hours remaining, 234.253906 MB of memory in use. ENERGY: 2012400 4051.2585 20424.4469 14457.1158 256.4055 -203232.2055 2705.5692 0.0000 0.0000 52139.5895 -109197.8201 299.6469 -161337.4095 -108830.3245 298.5940 -194.3409 -168.3920 764059.6368 12.6292 12.5474 PRESSURE: 2012600 49.494 -7.63938 294.862 -7.64005 158.521 99.3801 294.862 99.3801 167.502 GPRESSURE: 2012600 22.2748 -106.925 311.041 -124.368 232.096 99.2638 257.509 66.61 210.75 PRESSAVG: 2012600 47.0958 0.170818 66.1592 0.170727 -54.1781 38.6846 66.1591 38.6847 -6.03824 GPRESSAVG: 2012600 47.5866 0.334094 64.5331 -1.06955 -54.5595 38.5261 67.4857 39.482 -6.00296 TIMING: 2012600 CPU: 6288.38, 0.00311256/step Wall: 6288.38, 0.00311256/step, 2.58291 hours remaining, 234.253906 MB of memory in use. ENERGY: 2012600 4058.9177 20511.7107 14465.5298 249.8142 -203403.4729 2922.0882 0.0000 0.0000 51973.2659 -109222.1464 298.6911 -161195.4123 -108866.0390 298.7395 125.1724 155.0403 763218.1857 -4.3735 -4.3253 PRESSURE: 2012800 -12.0582 18.5601 -135.512 18.56 -124.045 84.0669 -135.511 84.0673 356.829 GPRESSURE: 2012800 87.953 -46.6342 -91.1762 -85.1781 -128.134 131.619 -137.217 89.9801 340.45 PRESSAVG: 2012800 -12.2859 27.8517 17.4375 27.8517 27.057 11.7028 17.4375 11.7028 0.536426 GPRESSAVG: 2012800 -13.0494 28.5456 18.1831 28.4175 27.619 10.8155 17.2106 11.1998 0.401543 TIMING: 2012800 CPU: 6289, 0.00309633/step Wall: 6289, 0.00309633/step, 2.56926 hours remaining, 234.253906 MB of memory in use. ENERGY: 2012800 4072.3537 20647.7957 14471.3734 252.9042 -203584.2608 3224.9134 0.0000 0.0000 51873.7226 -109041.1978 298.1190 -160914.9204 -108686.6725 299.0162 73.5753 100.0897 763183.5507 5.1025 4.9904 PRESSURE: 2013000 -262.594 69.9279 124.908 69.9278 -83.1991 -27.1989 124.907 -27.1985 2.91868 GPRESSURE: 2013000 -158.738 65.621 99.9629 146.594 -85.8066 -17.3276 115.186 -122.381 3.7334 PRESSAVG: 2013000 -2.79151 -25.8257 -20.5002 -25.8257 -14.5807 14.2622 -20.5002 14.2622 -3.3292 GPRESSAVG: 2013000 -1.16182 -27.9003 -20.8954 -24.7806 -16.2479 13.9592 -20.6725 15.4689 -3.09329 TIMING: 2013000 CPU: 6289.63, 0.0031306/step Wall: 6289.63, 0.0031306/step, 2.59753 hours remaining, 234.253906 MB of memory in use. ENERGY: 2013000 4053.7420 20674.6469 14477.7462 270.8428 -203147.2068 2808.2010 0.0000 0.0000 52002.3329 -108859.6950 298.8581 -160862.0279 -108501.8591 299.8331 -114.2913 -80.2704 764370.2777 -6.9005 -6.8343 PRESSURE: 2013200 -185.025 76.9205 -111.83 76.9205 -9.30037 21.0002 -111.829 20.9998 -178.685 GPRESSURE: 2013200 -119.794 -39.9133 -95.5684 157.409 -14.6706 -4.46452 -15.4323 -37.1399 -134.597 PRESSAVG: 2013200 -39.377 -37.2879 41.4071 -37.2879 61.7556 31.9442 41.4071 31.9442 18.242 GPRESSAVG: 2013200 -41.2875 -36.8359 42.4481 -38.5778 63.5473 32.5026 41.6987 31.1487 18.1871 TIMING: 2013200 CPU: 6290.25, 0.00309604/step Wall: 6290.25, 0.00309604/step, 2.56868 hours remaining, 234.253906 MB of memory in use. ENERGY: 2013200 4019.5090 20543.7499 14420.9110 249.2886 -203411.5773 2953.2889 0.0000 0.0000 52205.5510 -109019.2790 300.0260 -161224.8300 -108654.0393 299.6242 -124.3368 -89.6871 763660.8964 13.5402 13.4823 PRESSURE: 2013400 -80.1634 20.4227 180.937 20.4222 -36.9521 16.0826 180.937 16.0826 0.974366 GPRESSURE: 2013400 -39.672 -5.67748 228.127 -35.7419 -55.1903 82.45 107.502 -54.4324 55.1868 PRESSAVG: 2013400 24.9482 13.465 2.05643 13.4651 -2.14516 85.5788 2.05641 85.5788 34.4024 GPRESSAVG: 2013400 25.8253 14.2376 0.236788 13.4321 -2.55164 86.2524 0.912094 86.5652 33.8482 TIMING: 2013400 CPU: 6290.87, 0.0031032/step Wall: 6290.87, 0.0031032/step, 2.57445 hours remaining, 234.253906 MB of memory in use. ENERGY: 2013400 3914.9033 20583.7395 14425.9415 245.6329 -202998.2168 2741.8844 0.0000 0.0000 51997.3755 -109088.7396 298.8296 -161086.1151 -108716.6911 299.7262 -38.7137 -13.2252 763725.7976 19.0685 19.0406 PRESSURE: 2013600 44.4735 100.78 -224.216 100.781 -162.854 59.9386 -224.216 59.9383 -64.2956 GPRESSURE: 2013600 -63.2351 41.7715 -224.694 220.093 -15.7803 36.2644 -154.298 -125.444 -2.72544 PRESSAVG: 2013600 7.13363 -22.4946 -22.2417 -22.4946 59.123 74.6521 -22.2418 74.6521 -19.9896 GPRESSAVG: 2013600 6.34993 -24.0105 -21.0154 -21.7779 59.1179 74.2156 -21.7817 72.2601 -19.5408 TIMING: 2013600 CPU: 6291.49, 0.00309845/step Wall: 6291.49, 0.00309845/step, 2.57033 hours remaining, 234.253906 MB of memory in use. ENERGY: 2013600 3962.9908 20460.1491 14479.4482 267.0705 -203073.4418 2734.4398 0.0000 0.0000 52254.0723 -108915.2710 300.3049 -161169.3434 -108550.3630 299.4995 -60.8921 -27.2470 763518.0051 15.4223 15.3090 PRESSURE: 2013800 19.4895 25.5306 25.7737 25.5309 489.276 -10.7296 25.7735 -10.7301 117.316 GPRESSURE: 2013800 167.734 -27.2428 86.1657 124.984 422.668 58.6483 4.79668 98.652 99.0885 PRESSAVG: 2013800 -15.4344 -0.0587369 35.2307 -0.0587576 4.54661 -23.7387 35.2307 -23.7387 7.77865 GPRESSAVG: 2013800 -15.1223 1.47135 34.7448 -2.58815 4.27795 -22.6224 34.3802 -22.8076 7.95521 TIMING: 2013800 CPU: 6292.11, 0.00309752/step Wall: 6292.11, 0.00309752/step, 2.56939 hours remaining, 234.253906 MB of memory in use. ENERGY: 2013800 3975.0441 20503.7994 14374.3879 233.2307 -203360.0856 2987.0876 0.0000 0.0000 52173.0805 -109113.4554 299.8394 -161286.5358 -108743.8062 299.3803 208.6940 229.8302 764371.6317 -1.0364 -0.9631 PRESSURE: 2014000 -152.073 -133.06 -58.5247 -133.06 179.841 -9.56314 -58.5246 -9.56375 4.07828 GPRESSURE: 2014000 -178.286 -110.136 -94.4169 -42.5776 284.174 0.162024 11.5072 -34.5508 5.55396 PRESSAVG: 2014000 -29.1638 2.5031 12.908 2.50306 75.6802 19.7713 12.908 19.7713 -15.9681 GPRESSAVG: 2014000 -28.7016 1.3443 13.3332 3.46245 76.3633 18.0486 13.12 19.256 -16.9058 TIMING: 2014000 CPU: 6292.73, 0.00310747/step Wall: 6292.73, 0.00310747/step, 2.57748 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2014000 4065.3105 20476.5744 14453.4527 269.3725 -202951.2261 2710.4963 0.0000 0.0000 52108.6657 -108867.3540 299.4692 -160976.0197 -108511.9005 299.8869 10.6157 37.1475 763238.0195 10.1828 10.2520 PRESSURE: 2014200 305.98 -41.342 1.92056 -41.34 186.536 8.14255 1.92145 8.14195 -443.826 GPRESSURE: 2014200 361.459 -79.9733 66.4568 -0.0385307 177.372 10.6072 -28.5176 36.5683 -419.126 PRESSAVG: 2014200 -18.8582 -46.942 50.9504 -46.942 31.4019 28.6129 50.9503 28.6128 14.0765 GPRESSAVG: 2014200 -18.4699 -46.5298 50.8334 -45.4912 30.7659 29.5128 52.2852 30.4279 14.4492 TIMING: 2014200 CPU: 6293.35, 0.00311018/step Wall: 6293.35, 0.00311018/step, 2.57955 hours remaining, 234.253906 MB of memory in use. ENERGY: 2014200 4033.5725 20639.3403 14501.0277 226.8587 -203046.2897 2727.8358 0.0000 0.0000 51793.2358 -109124.4189 297.6564 -160917.6547 -108769.1284 299.5121 16.2301 39.9020 763736.9438 8.8734 8.9151 PRESSURE: 2014400 -49.9153 135.546 47.0415 135.546 23.066 41.7973 47.0418 41.798 -415.104 GPRESSURE: 2014400 -34.5687 -21.3823 19.1574 76.1501 37.6941 102.229 34.4401 61.8524 -370.846 PRESSAVG: 2014400 -5.73748 -37.2561 104.155 -37.2561 18.9418 13.4212 104.155 13.4212 -5.05081 GPRESSAVG: 2014400 -6.23547 -36.8232 102.471 -37.1002 19.8528 13.4997 103.272 12.5405 -5.06578 TIMING: 2014400 CPU: 6293.97, 0.00310575/step Wall: 6293.97, 0.00310575/step, 2.5757 hours remaining, 234.253906 MB of memory in use. ENERGY: 2014400 4056.2669 20610.1544 14437.2865 244.5413 -203348.6567 2710.4473 0.0000 0.0000 51940.3998 -109349.5603 298.5022 -161289.9601 -108977.9535 298.7944 -147.3178 -122.5734 763100.9651 2.7178 2.8505 PRESSURE: 2014600 -89.7635 -202.04 107.911 -202.041 157.21 105.041 107.912 105.042 -82.2952 GPRESSURE: 2014600 -7.20216 -95.8791 115.526 -297.166 159.226 82.0222 145.048 3.74981 -99.8065 PRESSAVG: 2014600 -48.9082 39.2428 10.7354 39.2429 69.7443 98.2608 10.7354 98.2608 -4.93312 GPRESSAVG: 2014600 -49.3765 38.5367 12.3865 39.5793 68.9621 98.2477 9.01249 98.587 -4.30198 TIMING: 2014600 CPU: 6294.59, 0.00310602/step Wall: 6294.59, 0.00310602/step, 2.57575 hours remaining, 234.253906 MB of memory in use. ENERGY: 2014600 3998.6879 20444.8118 14531.7233 234.6764 -203181.0616 2475.3023 0.0000 0.0000 52218.4177 -109277.4423 300.1000 -161495.8600 -108909.8166 298.8018 -4.9497 17.4059 762726.5773 5.3010 5.0945 PRESSURE: 2014800 -27.5281 -22.7288 62.9045 -22.7291 -377.816 -48.9164 62.9047 -48.9162 42.9405 GPRESSURE: 2014800 -117.518 -125.684 101.575 -94.4058 -257.331 -201.711 96.1719 -74.0488 113.63 PRESSAVG: 2014800 -25.2777 21.7286 39.1275 21.7286 35.8334 -36.7074 39.1274 -36.7075 15.9411 GPRESSAVG: 2014800 -25.1459 21.2483 39.5208 22.7943 35.2071 -36.4615 40.4508 -36.5449 16.6396 TIMING: 2014800 CPU: 6295.22, 0.00312021/step Wall: 6295.22, 0.00312021/step, 2.58734 hours remaining, 234.253906 MB of memory in use. ENERGY: 2014800 4005.2354 20379.5742 14459.1473 260.6615 -203291.2660 2745.5499 0.0000 0.0000 51978.1665 -109462.9312 298.7192 -161441.0978 -109098.5619 298.5491 -120.8012 -87.0731 762985.1972 8.8323 8.9003 PRESSURE: 2015000 -114.881 -268.834 -66.5605 -268.835 -231.453 -108.478 -66.5604 -108.478 67.0394 GPRESSURE: 2015000 -129.421 -190.176 -70.8191 -209.747 -193.03 -202.565 -82.3194 -38.3751 116.033 PRESSAVG: 2015000 20.8067 -52.576 -15.3539 -52.5761 9.77635 -33.7539 -15.354 -33.7538 8.46988 GPRESSAVG: 2015000 20.2814 -52.541 -16.4353 -52.9144 11.6431 -34.751 -15.2043 -33.7292 6.97133 TIMING: 2015000 CPU: 6295.84, 0.00312526/step Wall: 6295.84, 0.00312526/step, 2.59136 hours remaining, 234.253906 MB of memory in use. ENERGY: 2015000 3980.5111 20749.2446 14483.3829 246.8518 -203494.6080 2654.5644 0.0000 0.0000 51706.6302 -109673.4229 297.1587 -161380.0532 -109307.2976 297.9937 -93.0981 -68.8061 762943.4228 13.0177 12.9653 PRESSURE: 2015200 -327.37 233.697 -61.5329 233.697 -9.84145 -56.089 -61.5325 -56.0889 -35.5711 GPRESSURE: 2015200 -266.621 123.02 -35.2111 359.725 32.8362 -80.614 -92.0577 -87.7419 -44.0285 PRESSAVG: 2015200 -47.2257 -15.0311 -28.6583 -15.0311 11.8628 -38.1972 -28.6583 -38.1973 -13.6888 GPRESSAVG: 2015200 -46.1729 -15.4867 -27.1648 -18.0715 9.45695 -39.7185 -28.4272 -37.7094 -12.6965 TIMING: 2015200 CPU: 6296.47, 0.00313017/step Wall: 6296.47, 0.00313017/step, 2.59526 hours remaining, 234.253906 MB of memory in use. ENERGY: 2015200 3993.7318 20376.7364 14432.6715 262.6127 -203188.7612 2674.8708 0.0000 0.0000 51954.2197 -109493.9184 298.5816 -161448.1381 -109131.2317 298.2610 -124.2609 -92.6043 763162.3319 -16.3506 -16.4708 PRESSURE: 2015400 -195.958 34.2913 153.819 34.2913 45.1681 -18.263 153.819 -18.2638 250.993 GPRESSURE: 2015400 -85.1331 -126.704 162.127 -78.2479 65.9593 -35.7994 92.7914 -13.1779 207.476 PRESSAVG: 2015400 12.6507 -13.6528 -3.11295 -13.6528 4.96001 -30.7791 -3.113 -30.7791 -10.4016 GPRESSAVG: 2015400 12.8461 -10.7762 -4.13938 -13.5295 4.90324 -28.5144 -4.48063 -31.7506 -10.6216 TIMING: 2015400 CPU: 6297.1, 0.00315625/step Wall: 6297.1, 0.00315625/step, 2.61671 hours remaining, 234.253906 MB of memory in use. ENERGY: 2015400 4016.9551 20538.4609 14463.6636 234.2037 -203443.0828 2989.6245 0.0000 0.0000 51930.5314 -109269.6435 298.4455 -161200.1748 -108911.3684 298.9795 33.4011 62.7674 761853.5595 2.4030 2.3759 PRESSURE: 2015600 326.847 -110.93 -45.436 -110.929 -29.4309 -81.074 -45.4369 -81.0752 -131.778 GPRESSURE: 2015600 294.63 -67.019 -76.757 -194.489 87.2189 -151.131 8.72759 -119.05 -139.479 PRESSAVG: 2015600 21.2325 -31.9995 -38.2198 -31.9995 -0.669338 -2.18392 -38.2199 -2.18385 -33.6289 GPRESSAVG: 2015600 20.2218 -34.4294 -37.8896 -32.576 0.670394 -2.83721 -37.487 -0.293088 -34.4941 TIMING: 2015600 CPU: 6297.73, 0.00315192/step Wall: 6297.73, 0.00315192/step, 2.61294 hours remaining, 234.253906 MB of memory in use. ENERGY: 2015600 4107.5474 20544.1626 14408.6092 236.9232 -202966.8466 2527.9013 0.0000 0.0000 51951.2191 -109190.4838 298.5644 -161141.7030 -108844.5340 298.8974 55.2127 80.7900 761673.9449 -4.3552 -4.5340 PRESSURE: 2015800 43.5468 -2.1988 128.794 -2.19869 2.47084 41.4297 128.794 41.4284 -110.163 GPRESSURE: 2015800 124.205 -17.5889 106.768 -0.157601 6.54532 37.9888 191.598 128.313 -126.946 PRESSAVG: 2015800 19.287 -13.7026 -48.1419 -13.7025 -12.5993 24.4955 -48.1419 24.4955 2.86599 GPRESSAVG: 2015800 20.2685 -12.9091 -48.7204 -11.7462 -12.3576 24.7134 -47.6307 21.6322 1.72314 TIMING: 2015800 CPU: 6298.36, 0.00314486/step Wall: 6298.36, 0.00314486/step, 2.60691 hours remaining, 234.253906 MB of memory in use. ENERGY: 2015800 4076.2841 20507.5947 14395.4959 256.2747 -203502.7181 2988.4319 0.0000 0.0000 52031.6158 -109247.0209 299.0264 -161278.6368 -108885.7960 298.4832 -21.3819 1.2681 761379.0415 3.1846 3.2113 PRESSURE: 2016000 97.905 171.816 6.76574 171.815 -481.601 -29.1486 6.76606 -29.1474 -191.639 GPRESSURE: 2016000 120.971 131.307 -36.8183 84.1 -483.051 49.6925 53.5208 -1.44483 -137.125 PRESSAVG: 2016000 47.3634 27.0831 -45.8198 27.0831 -76.6425 4.79807 -45.8198 4.79813 4.44262 GPRESSAVG: 2016000 47.4126 26.5605 -45.8297 27.4116 -77.94 5.01994 -47.0124 5.37073 5.51766 TIMING: 2016000 CPU: 6298.99, 0.00316405/step Wall: 6298.99, 0.00316405/step, 2.62264 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2016000 4074.6753 20734.2409 14397.4583 244.3440 -203219.7931 2465.5881 0.0000 0.0000 52095.3931 -109208.0933 299.3929 -161303.4864 -108841.1769 299.1291 -191.7782 -166.4018 763147.9561 -8.2788 -8.3366 PRESSURE: 2016200 149.95 -71.1722 37.4487 -71.1716 -110.604 334.253 37.4486 334.254 200.622 GPRESSURE: 2016200 246.661 -43.8307 26.8108 -112.167 -45.6704 297.341 50.0992 208.085 123.433 PRESSAVG: 2016200 10.6206 -38.8013 -14.2505 -38.8012 10.7529 43.4747 -14.2505 43.4748 26.6629 GPRESSAVG: 2016200 9.64359 -36.8072 -14.0779 -41.0857 12.3864 42.5553 -14.0245 43.0866 25.5183 TIMING: 2016200 CPU: 6299.62, 0.00312665/step Wall: 6299.62, 0.00312665/step, 2.59148 hours remaining, 234.253906 MB of memory in use. ENERGY: 2016200 3991.4155 20490.9723 14451.0873 272.5960 -203357.4113 2800.2663 0.0000 0.0000 52085.5065 -109265.5674 299.3361 -161351.0739 -108903.8480 298.8292 79.9892 108.1413 762450.7031 16.0122 15.8494 LDB: ============= START OF LOAD BALANCING ============== 6312.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6312.1 LDB: =============== DONE WITH MIGRATION ================ 6312.1 LDB: ============= START OF LOAD BALANCING ============== 6312.41 LDB: Largest compute 6985 load 0.031624 is 16.2% of average load 0.195079 LDB: Average compute 0.004403 is 2.3% of average load 0.195079 LDB: TIME 6312.42 LOAD: AVG 0.195079 MAX 0.215458 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.281 MB LDB: TIME 6312.42 LOAD: AVG 0.195079 MAX 0.215458 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.281 MB LDB: TIME 6312.42 LOAD: AVG 0.195079 MAX 0.215458 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.281 MB LDB: ============== END OF LOAD BALANCING =============== 6312.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6312.42 PRESSURE: 2016400 -392.288 71.6986 -288.511 71.6992 -174.808 58.0272 -288.51 58.0264 353.313 GPRESSURE: 2016400 -318.339 63.8253 -286.437 124.069 -65.2153 62.8107 -244.254 -50.3076 258.825 PRESSAVG: 2016400 8.80888 -63.4931 -45.3739 -63.4932 -15.391 57.4165 -45.3739 57.4166 -4.61297 GPRESSAVG: 2016400 8.66815 -64.7569 -45.089 -62.0607 -15.7096 58.0579 -44.1784 57.3142 -3.66154 TIMING: 2016400 CPU: 6300.26, 0.00320517/step Wall: 6300.26, 0.00320517/step, 2.65637 hours remaining, 233.980469 MB of memory in use. ENERGY: 2016400 3970.1232 20550.0614 14473.7668 244.7926 -202775.2999 2501.7737 0.0000 0.0000 51997.4508 -109037.3313 298.8301 -161034.7821 -108673.3462 298.6154 -71.2611 -41.5764 763809.7997 -3.7317 -3.5677 PRESSURE: 2016600 -266.265 -112.325 23.4104 -112.325 -11.4663 63.3071 23.4097 63.3088 -146.393 GPRESSURE: 2016600 -198.172 5.81079 -24.1093 -342.787 -32.7447 -55.6272 97.8583 145.382 -130.757 PRESSAVG: 2016600 -31.271 -28.7524 -0.282278 -28.7523 67.5372 19.579 -0.282386 19.579 13.9755 GPRESSAVG: 2016600 -29.9707 -28.1419 -0.889175 -30.4865 66.6973 20.1456 -3.00857 19.8506 13.1397 TIMING: 2016600 CPU: 6300.88, 0.00311761/step Wall: 6300.88, 0.00311761/step, 2.58363 hours remaining, 234.183594 MB of memory in use. ENERGY: 2016600 4032.1912 20590.9656 14398.8803 256.2701 -202898.9434 2522.3899 0.0000 0.0000 51967.9120 -109130.3343 298.6603 -161098.2462 -108772.6956 299.3615 -141.3745 -120.5581 762302.3233 16.7472 16.6221 PRESSURE: 2016800 -325.171 -170.378 24.1001 -170.377 176.082 -155.132 24.1001 -155.132 -364.397 GPRESSURE: 2016800 -285.454 -248.694 4.22744 -215.477 140.919 -193.752 8.58475 -116.176 -299.109 PRESSAVG: 2016800 -19.5324 -72.8605 13.4724 -72.8605 38.7087 21.8452 13.4724 21.8453 -16.0697 GPRESSAVG: 2016800 -21.5677 -73.5144 13.0119 -70.9909 38.9758 21.9191 14.5762 22.4268 -14.7702 TIMING: 2016800 CPU: 6301.5, 0.00310816/step Wall: 6301.5, 0.00310816/step, 2.57563 hours remaining, 234.183594 MB of memory in use. ENERGY: 2016800 3985.5906 20614.3606 14427.2085 253.5217 -202882.6598 2399.4214 0.0000 0.0000 52070.5002 -109132.0569 299.2499 -161202.5571 -108768.2566 298.9052 -171.1623 -147.8813 761351.7800 1.0355 0.8793 PRESSURE: 2017000 1.24477 -194.654 -40.143 -194.655 -227.789 -150.592 -40.1422 -150.591 -696.925 GPRESSURE: 2017000 29.5956 -55.8031 68.8772 -200.744 -191.872 -128.392 -75.5309 -54.6683 -684.535 PRESSAVG: 2017000 -31.8799 -31.1706 16.0406 -31.1706 23.3096 -19.8064 16.0406 -19.8065 5.56744 GPRESSAVG: 2017000 -31.9454 -29.6208 15.5396 -33.3955 23.2973 -19.4904 16.678 -19.59 5.80202 TIMING: 2017000 CPU: 6302.13, 0.00311425/step Wall: 6302.13, 0.00311425/step, 2.5805 hours remaining, 234.183594 MB of memory in use. ENERGY: 2017000 3994.5243 20618.2971 14533.1361 236.4713 -202523.8746 2113.0286 0.0000 0.0000 51896.7581 -109131.6590 298.2514 -161028.4171 -108788.0946 298.8605 -307.8229 -282.2705 762308.7228 -1.0010 -0.9487 PRESSURE: 2017200 -41.7466 24.3882 113.728 24.3893 -322.198 -93.8941 113.728 -93.8941 -22.5157 GPRESSURE: 2017200 -6.76115 93.7865 92.7227 -127.474 -230.32 -114.387 109.398 -133.02 -70.1239 PRESSAVG: 2017200 17.1201 -36.0719 13.5309 -36.0718 -10.9464 20.2464 13.5309 20.2464 -25.5814 GPRESSAVG: 2017200 19.0589 -36.1991 13.9511 -35.2208 -11.1829 20.5338 13.0937 18.4311 -27.2854 TIMING: 2017200 CPU: 6302.75, 0.00311628/step Wall: 6302.75, 0.00311628/step, 2.58201 hours remaining, 234.183594 MB of memory in use. ENERGY: 2017200 3918.3342 20450.3823 14502.1928 250.1008 -202611.2601 2417.8288 0.0000 0.0000 51986.0791 -109086.3420 298.7647 -161072.4211 -108719.7013 298.7114 -128.8202 -102.4018 762554.3092 -6.4692 -6.4698 PRESSURE: 2017400 -102.11 57.4641 120.696 57.4636 78.1402 -239.985 120.696 -239.985 16.8521 GPRESSURE: 2017400 -106.954 49.5931 103.938 -28.1351 155.964 -230.997 128.096 -184.06 48.8228 PRESSAVG: 2017400 -4.1118 -3.12487 61.6468 -3.12481 17.5963 -9.69442 61.6468 -9.69444 -6.16532 GPRESSAVG: 2017400 -6.5845 -3.03745 61.8914 -4.36949 18.5865 -9.08649 59.9336 -8.14257 -4.99699 TIMING: 2017400 CPU: 6303.37, 0.00311282/step Wall: 6303.37, 0.00311282/step, 2.57897 hours remaining, 234.183594 MB of memory in use. ENERGY: 2017400 3956.9841 20680.8362 14443.5947 266.5108 -202821.3364 2606.3015 0.0000 0.0000 51963.6341 -108903.4751 298.6357 -160867.1092 -108561.0830 299.1313 -2.3727 32.6110 762243.2897 2.4397 2.3350 PRESSURE: 2017600 6.13048 15.189 -31.3696 15.1895 58.7931 206.849 -31.3691 206.85 -189.057 GPRESSURE: 2017600 -15.953 65.2448 -108.237 35.0442 83.6845 137.023 34.8498 261.183 -114.4 PRESSAVG: 2017600 -33.6553 -16.6813 15.3097 -16.6812 34.7957 13.8753 15.3097 13.8753 19.7227 GPRESSAVG: 2017600 -33.0761 -19.1126 14.5709 -13.5582 33.6761 11.8247 17.5898 12.7724 20.1279 TIMING: 2017600 CPU: 6304, 0.00313536/step Wall: 6304, 0.00313536/step, 2.59747 hours remaining, 234.183594 MB of memory in use. ENERGY: 2017600 3970.9279 20609.0519 14443.4818 239.5430 -203220.8626 2974.4286 0.0000 0.0000 52204.3325 -108779.0972 300.0190 -160983.4296 -108425.4794 300.1721 -41.3777 -15.5563 763500.7131 6.9544 6.9093 PRESSURE: 2017800 -347.333 220.99 -71.2917 220.99 -83.8815 -128.685 -71.2915 -128.685 -316.448 GPRESSURE: 2017800 -295.13 197.576 86.888 136.592 -50.0501 -145.039 -58.0869 -67.7317 -340.566 PRESSAVG: 2017800 16.3886 -7.18552 37.2034 -7.18552 -6.03704 54.2713 37.2034 54.2714 -23.4558 GPRESSAVG: 2017800 16.4465 -5.92481 38.2633 -9.12667 -5.95172 56.5568 36.3466 56.5115 -23.0242 TIMING: 2017800 CPU: 6304.63, 0.00314771/step Wall: 6304.63, 0.00314771/step, 2.60753 hours remaining, 234.183594 MB of memory in use. ENERGY: 2017800 3916.8483 20607.3091 14437.2910 245.6088 -202516.5889 2236.1371 0.0000 0.0000 52235.9625 -108837.4322 300.2008 -161073.3947 -108472.6516 299.5839 -249.2210 -228.5819 764433.2373 -4.3681 -4.1765 PRESSURE: 2018000 -152.837 -16.762 -7.05172 -16.7611 -8.57205 114.764 -7.0518 114.765 396.532 GPRESSURE: 2018000 -56.077 -50.2337 -36.3729 -68.9205 30.4116 27.7026 9.25156 -56.204 341.909 PRESSAVG: 2018000 7.15673 38.0159 -46.0055 38.016 -6.36016 69.9568 -46.0054 69.9569 7.79928 GPRESSAVG: 2018000 6.59083 36.6269 -47.7862 40.3801 -4.11665 68.5983 -42.8407 68.6766 5.84081 TIMING: 2018000 CPU: 6305.25, 0.00312578/step Wall: 6305.25, 0.00312578/step, 2.58919 hours remaining, 234.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2018000 3958.8522 20491.1573 14442.2357 252.9665 -202715.9426 2633.1826 0.0000 0.0000 52115.5173 -108822.0311 299.5086 -160937.5484 -108456.2589 298.8202 78.3742 105.4144 763824.5717 2.8653 2.7717 PRESSURE: 2018200 -6.06181 -107.229 -39.8102 -107.229 -103.413 19.5427 -39.8099 19.5417 -370.024 GPRESSURE: 2018200 -28.9964 10.7158 22.0064 -127.664 -23.7251 13.172 -27.9949 7.82747 -329.45 PRESSAVG: 2018200 87.3516 -5.24871 27.5526 -5.24868 -33.8197 30.4371 27.5526 30.4371 0.82384 GPRESSAVG: 2018200 86.7391 -4.7041 29.201 -7.84631 -34.8294 31.0813 26.8551 29.647 2.40591 TIMING: 2018200 CPU: 6305.88, 0.00313467/step Wall: 6305.88, 0.00313467/step, 2.59638 hours remaining, 234.183594 MB of memory in use. ENERGY: 2018200 3989.1925 20569.9739 14383.1052 231.2348 -203080.5871 2795.6515 0.0000 0.0000 52135.7291 -108975.7003 299.6248 -161111.4294 -108615.2804 299.5849 -159.8329 -127.3906 762983.1265 18.1186 18.1052 PRESSURE: 2018400 -124.069 100.427 -89.7576 100.428 -46.0998 -59.5668 -89.7577 -59.5681 37.3232 GPRESSURE: 2018400 -26.6669 75.7782 35.4475 88.2782 -30.7174 48.8489 -94.3671 -86.3117 8.62535 PRESSAVG: 2018400 10.1457 -14.0574 -15.132 -14.0573 -36.5407 -29.3482 -15.132 -29.3481 7.08882 GPRESSAVG: 2018400 11.1831 -13.3681 -14.6028 -14.3128 -37.9037 -29.68 -17.0969 -28.4644 7.212 TIMING: 2018400 CPU: 6306.51, 0.00314737/step Wall: 6306.51, 0.00314737/step, 2.60672 hours remaining, 234.183594 MB of memory in use. ENERGY: 2018400 3992.6640 20483.6017 14456.2789 257.0749 -203154.9927 2754.5914 0.0000 0.0000 52232.6490 -108978.1328 300.1818 -161210.7818 -108602.0208 299.5709 -44.2818 -16.2530 762227.7605 -6.4354 -6.5029 PRESSURE: 2018600 14.8891 -37.6639 84.1656 -37.664 -91.1349 65.2316 84.1659 65.2313 -379.656 GPRESSURE: 2018600 55.0612 -115.518 92.3298 -78.0765 -20.4695 94.9495 46.1881 -82.6412 -424.32 PRESSAVG: 2018600 33.962 -35.9305 -73.0054 -35.9306 -1.94612 -23.8006 -73.0054 -23.8007 4.94692 GPRESSAVG: 2018600 34.5978 -37.8394 -72.9183 -35.7359 -1.75419 -22.0103 -73.9955 -25.0778 4.01558 TIMING: 2018600 CPU: 6307.13, 0.00311367/step Wall: 6307.13, 0.00311367/step, 2.57864 hours remaining, 234.183594 MB of memory in use. ENERGY: 2018600 4023.2753 20513.2187 14505.4642 239.7196 -202971.0971 2471.4292 0.0000 0.0000 52063.3717 -109154.6184 299.2089 -161217.9901 -108789.4780 298.9980 -151.9673 -129.9094 761743.0765 12.3209 12.2864 PRESSURE: 2018800 -132.44 -163.549 65.3752 -163.548 -309.711 186.948 65.3748 186.949 485.233 GPRESSURE: 2018800 -96.0871 -57.5499 58.2065 -132.129 -278.03 248.773 70.0542 234.444 503.34 PRESSAVG: 2018800 -1.77699 22.6767 -40.2246 22.6767 -0.38941 21.6272 -40.2246 21.6272 -1.92099 GPRESSAVG: 2018800 -2.35457 23.762 -41.1463 23.6712 -0.69215 21.4029 -38.3724 22.2185 -0.267355 TIMING: 2018800 CPU: 6307.76, 0.00312248/step Wall: 6307.76, 0.00312248/step, 2.58576 hours remaining, 234.183594 MB of memory in use. ENERGY: 2018800 4032.9920 20526.2969 14470.3671 234.4475 -202854.4395 2542.5998 0.0000 0.0000 51958.6579 -109089.0784 298.6071 -161047.7363 -108725.0004 299.3345 14.3605 43.0744 760509.0926 -1.3625 -1.1047 PRESSURE: 2019000 218.799 79.265 -142.841 79.2658 209.445 229.729 -142.84 229.728 101.036 GPRESSURE: 2019000 264.133 -13.4551 -133.629 23.0262 222.085 258.632 -163.071 231.188 116.956 PRESSAVG: 2019000 32.5483 -27.8666 -16.6035 -27.8666 -0.182322 48.0095 -16.6035 48.0094 3.30419 GPRESSAVG: 2019000 33.6014 -27.4863 -15.7551 -28.936 1.03935 48.5581 -17.4689 49.0577 1.02422 TIMING: 2019000 CPU: 6308.38, 0.00310952/step Wall: 6308.38, 0.00310952/step, 2.57485 hours remaining, 234.183594 MB of memory in use. ENERGY: 2019000 3961.6861 20685.5047 14399.6223 254.2299 -203271.9432 2883.5396 0.0000 0.0000 51961.5598 -109125.8008 298.6238 -161087.3606 -108770.3166 299.5582 176.4269 201.0584 762490.4572 11.8901 11.8883 PRESSURE: 2019200 210.226 -44.7479 164.503 -44.7487 -84.8655 -150.984 164.503 -150.983 253.155 GPRESSURE: 2019200 145.176 -82.6119 114.62 -40.277 0.961331 -203.784 173.734 -175.667 290.625 PRESSAVG: 2019200 -47.6573 -8.56626 -32.7069 -8.56631 58.9613 39.5509 -32.7069 39.551 -14.1697 GPRESSAVG: 2019200 -48.0635 -10.813 -34.1491 -8.48962 59.0102 37.8458 -32.6861 38.5695 -13.4882 TIMING: 2019200 CPU: 6309, 0.00311809/step Wall: 6309, 0.00311809/step, 2.58178 hours remaining, 234.183594 MB of memory in use. ENERGY: 2019200 3922.4903 20533.7743 14416.3191 241.4886 -202957.8509 2697.4746 0.0000 0.0000 51840.9631 -109305.3409 297.9307 -161146.3039 -108929.3375 298.5097 126.1718 145.5876 763011.0227 -0.9552 -0.8472 PRESSURE: 2019400 -63.6193 -228.533 66.9467 -228.533 392.099 228.479 66.9467 228.479 6.97742 GPRESSURE: 2019400 47.0289 -150.336 3.07565 -104.142 377.345 248.835 31.2727 207.912 11.3166 PRESSAVG: 2019400 36.6864 -34.9305 -57.8126 -34.9305 -94.7294 15.9542 -57.8126 15.9542 17.9385 GPRESSAVG: 2019400 37.2322 -34.5623 -58.0694 -34.3031 -94.9886 16.6723 -57.4736 17.6184 17.9537 TIMING: 2019400 CPU: 6309.62, 0.0031041/step Wall: 6309.62, 0.0031041/step, 2.57002 hours remaining, 234.183594 MB of memory in use. ENERGY: 2019400 3966.9263 20591.3474 14410.0981 254.3262 -203279.2821 2671.0237 0.0000 0.0000 52128.8193 -109256.7411 299.5850 -161385.5604 -108891.4739 298.9020 111.8189 145.2300 761275.6200 -13.3681 -13.2676 PRESSURE: 2019600 32.7324 196.124 -24.703 196.123 75.61 251.738 -24.7035 251.737 -431.545 GPRESSURE: 2019600 134.655 263.414 -120.406 75.7034 -20.0227 167.309 77.9048 290.909 -306.689 PRESSAVG: 2019600 -37.194 25.8624 -40.807 25.8624 6.94718 11.7688 -40.8071 11.7688 6.21846 GPRESSAVG: 2019600 -37.2043 27.7854 -39.2277 25.3271 5.72413 11.5896 -43.0157 11.3425 6.99641 TIMING: 2019600 CPU: 6310.26, 0.00317192/step Wall: 6310.26, 0.00317192/step, 2.626 hours remaining, 234.183594 MB of memory in use. ENERGY: 2019600 3964.6414 20503.0819 14395.2339 241.2161 -202915.2379 2561.5266 0.0000 0.0000 52207.5496 -109041.9883 300.0375 -161249.5380 -108683.0753 299.0122 -107.7343 -64.0190 762141.3161 -8.0095 -8.1613 PRESSURE: 2019800 -260.581 18.8794 50.0914 18.8803 -108.682 -64.6125 50.091 -64.6123 25.9601 GPRESSURE: 2019800 -149.28 14.1284 76.2232 -137.695 -79.5933 15.1315 -54.5112 -106.701 -41.3524 PRESSAVG: 2019800 -41.0257 23.2241 -24.1227 23.2241 54.6242 -22.24 -24.1226 -22.24 0.337666 GPRESSAVG: 2019800 -41.3846 23.156 -25.6082 23.208 55.4311 -22.6507 -22.0934 -22.9189 -0.574824 TIMING: 2019800 CPU: 6310.89, 0.00314174/step Wall: 6310.89, 0.00314174/step, 2.60084 hours remaining, 234.183594 MB of memory in use. ENERGY: 2019800 3987.7797 20443.8212 14434.8957 265.0242 -203112.9068 2699.5836 0.0000 0.0000 52242.5781 -109039.2244 300.2388 -161281.8025 -108668.4101 300.0171 -114.4340 -90.0754 762592.0539 4.6454 4.4906 PRESSURE: 2020000 26.9497 202.206 -105.216 202.206 11.4451 207.932 -105.216 207.932 -280.462 GPRESSURE: 2020000 16.7462 43.3539 -93.757 154.732 44.512 229.689 -24.6949 116.589 -206.213 PRESSAVG: 2020000 17.4001 2.8119 5.63621 2.81187 1.52266 -23.8584 5.63614 -23.8583 -9.95297 GPRESSAVG: 2020000 16.9156 1.85973 5.76073 1.1689 1.82136 -23.0313 6.05402 -24.2677 -9.17271 TIMING: 2020000 CPU: 6311.51, 0.00313868/step Wall: 6311.51, 0.00313868/step, 2.59813 hours remaining, 234.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2020000 3969.3289 20499.5379 14458.3506 231.1963 -203277.3879 2845.0209 0.0000 0.0000 52147.6882 -109126.2651 299.6935 -161273.9534 -108759.4485 299.1406 -80.6890 -48.3182 763488.6923 2.9899 3.1881 PRESSURE: 2020200 -103.648 -107.715 -60.255 -107.715 -69.7668 29.9907 -60.2556 29.991 -192.979 GPRESSURE: 2020200 -56.4742 -72.8818 -13.5167 -114.789 -127.892 41.1785 -58.2267 89.5354 -131.308 PRESSAVG: 2020200 -24.7981 -32.7704 -42.2373 -32.7704 27.8017 -41.821 -42.2373 -41.8211 44.209 GPRESSAVG: 2020200 -24.4632 -31.5117 -44.0199 -33.6576 28.3422 -43.13 -42.393 -40.1437 44.1109 TIMING: 2020200 CPU: 6312.13, 0.00310673/step Wall: 6312.13, 0.00310673/step, 2.57151 hours remaining, 234.183594 MB of memory in use. ENERGY: 2020200 3968.2452 20576.8280 14389.2431 258.7006 -202873.8342 2597.1837 0.0000 0.0000 52018.7524 -109064.8812 298.9525 -161083.6336 -108693.4113 299.1866 -122.1314 -105.2249 762478.1694 15.7376 15.9966 LDB: ============= START OF LOAD BALANCING ============== 6324.61 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6324.61 LDB: =============== DONE WITH MIGRATION ================ 6324.61 LDB: ============= START OF LOAD BALANCING ============== 6324.92 LDB: Largest compute 7007 load 0.029657 is 15.2% of average load 0.195037 LDB: Average compute 0.004392 is 2.3% of average load 0.195037 LDB: TIME 6324.93 LOAD: AVG 0.195037 MAX 0.215414 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.469 MB LDB: TIME 6324.93 LOAD: AVG 0.195037 MAX 0.215414 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.562 MB LDB: TIME 6324.93 LOAD: AVG 0.195037 MAX 0.215414 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.562 MB LDB: ============== END OF LOAD BALANCING =============== 6324.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6324.93 PRESSURE: 2020400 -421.903 -127.252 -225.122 -127.252 -88.6959 151.946 -225.122 151.947 -149.909 GPRESSURE: 2020400 -326.771 -44.8869 -269.326 -225.318 -116.864 128.512 -97.7162 214.224 -118.651 PRESSAVG: 2020400 52.5116 -30.0775 24.9169 -30.0776 -15.869 4.53838 24.9169 4.53839 -28.2297 GPRESSAVG: 2020400 53.4331 -32.0832 25.4557 -28.3571 -16.6728 6.10987 25.2915 3.53228 -27.8133 TIMING: 2020400 CPU: 6312.77, 0.00316589/step Wall: 6312.77, 0.00316588/step, 2.6203 hours remaining, 233.730469 MB of memory in use. ENERGY: 2020400 3989.2374 20644.1859 14422.7578 256.0774 -203008.1781 2703.8375 0.0000 0.0000 51871.0198 -109121.0624 298.1035 -160992.0822 -108761.9316 299.0214 -220.1694 -187.4284 764010.0207 2.8043 2.9823 PRESSURE: 2020600 -92.5053 -100.291 110.631 -100.291 -137.853 76.7169 110.631 76.7172 -303.522 GPRESSURE: 2020600 -70.788 -33.7123 117.419 -77.2445 -28.6364 56.2374 183.432 24.6153 -345.887 PRESSAVG: 2020600 -27.2011 -55.1173 15.6095 -55.1172 25.0776 -25.7479 15.6096 -25.7478 4.2524 GPRESSAVG: 2020600 -27.1816 -54.2899 15.9337 -53.9537 25.9137 -26.9338 16.9286 -26.112 3.7661 TIMING: 2020600 CPU: 6313.39, 0.00310722/step Wall: 6313.39, 0.00310722/step, 2.57157 hours remaining, 233.730469 MB of memory in use. ENERGY: 2020600 4081.4467 20536.0462 14458.4549 254.5789 -202935.1688 2623.6384 0.0000 0.0000 52194.4120 -108786.5918 299.9620 -160981.0037 -108422.5654 299.5738 -177.9601 -148.4370 762649.8640 0.7096 0.8327 PRESSURE: 2020800 -246.588 -100.484 262.084 -100.485 316.851 147.552 262.084 147.552 307.83 GPRESSURE: 2020800 -221.348 -135.757 324.937 -98.9013 370.842 53.5565 157.1 133.839 319.658 PRESSAVG: 2020800 -26.1779 -64.2234 59.0023 -64.2234 13.492 -10.7816 59.0023 -10.7815 -3.80175 GPRESSAVG: 2020800 -26.1155 -65.0933 60.1326 -64.8409 13.5768 -10.1552 58.2205 -9.45613 -4.00584 TIMING: 2020800 CPU: 6314.01, 0.00312269/step Wall: 6314.01, 0.00312269/step, 2.5842 hours remaining, 233.730469 MB of memory in use. ENERGY: 2020800 4020.8167 20635.3631 14527.6437 251.5193 -203654.3005 3109.1052 0.0000 0.0000 52153.9093 -108955.9432 299.7292 -161109.8525 -108594.5314 299.8193 126.0311 156.3839 761586.1602 -5.4959 -5.5148 PRESSURE: 2021000 170.422 -69.9135 176.49 -69.9136 294.866 147.14 176.489 147.14 -22.6306 GPRESSURE: 2021000 217.608 -121.767 252.921 11.5731 280.674 203.94 92.229 130.076 33.3676 PRESSAVG: 2021000 -49.7473 -7.25599 -6.29795 -7.25608 62.8043 -16.1181 -6.29801 -16.1181 -1.12892 GPRESSAVG: 2021000 -50.2799 -7.61528 -5.83757 -7.20657 62.3755 -15.786 -8.42428 -16.1554 -0.325439 TIMING: 2021000 CPU: 6314.64, 0.00314744/step Wall: 6314.64, 0.00314744/step, 2.60451 hours remaining, 233.730469 MB of memory in use. ENERGY: 2021000 3967.2482 20530.1715 14478.8499 244.5042 -203595.6217 2957.2267 0.0000 0.0000 52347.5660 -109070.0552 300.8422 -161417.6213 -108692.6232 299.7510 147.5525 177.2165 762478.7021 3.9760 3.9234 PRESSURE: 2021200 341.005 -119.851 -12.1154 -119.852 -185.99 -187.315 -12.1152 -187.314 -5.40903 GPRESSURE: 2021200 315.367 -181.525 45.0239 -134.016 -132.065 -195.397 18.9615 -315.514 36.1527 PRESSAVG: 2021200 -46.63 -16.0166 12.4311 -16.0165 22.0954 -89.518 12.4311 -89.518 25.7572 GPRESSAVG: 2021200 -46.1363 -14.815 13.0238 -16.8844 22.379 -89.653 13.5302 -90.9741 25.2333 TIMING: 2021200 CPU: 6315.28, 0.00317767/step Wall: 6315.28, 0.00317767/step, 2.62934 hours remaining, 233.730469 MB of memory in use. ENERGY: 2021200 3961.6050 20768.6521 14514.7978 243.6245 -203521.3046 2901.3200 0.0000 0.0000 52089.9144 -109041.3908 299.3615 -161131.3052 -108670.1820 299.9164 49.8685 73.1516 763502.8365 0.4076 0.4920 PRESSURE: 2021400 206.976 36.0583 -232.69 36.0573 -5.37466 -276.171 -232.691 -276.171 106.931 GPRESSURE: 2021400 224.867 169.747 -264.421 21.7166 61.6046 -227.719 -219.227 -166.841 103.141 PRESSAVG: 2021400 -42.5482 -18.4054 -40.7408 -18.4054 49.8722 -15.6411 -40.7408 -15.6412 -15.2409 GPRESSAVG: 2021400 -42.9874 -17.982 -42.06 -18.6783 50.3924 -17.6499 -40.0132 -12.9463 -15.4331 TIMING: 2021400 CPU: 6315.91, 0.00316251/step Wall: 6315.91, 0.00316251/step, 2.61663 hours remaining, 233.730469 MB of memory in use. ENERGY: 2021400 3999.8463 20691.7722 14491.9464 242.7084 -203536.8516 3199.0528 0.0000 0.0000 51947.4192 -108964.1064 298.5425 -160911.5255 -108602.7923 299.8346 102.8441 129.8708 763553.4864 -2.6390 -2.6760 PRESSURE: 2021600 -403.391 -108.444 162.107 -108.444 50.3431 140.051 162.107 140.051 -37.9108 GPRESSURE: 2021600 -264.643 26.7891 184.65 -201.671 -25.3817 37.5204 136.799 141.181 -34.343 PRESSAVG: 2021600 -56.8735 -17.7199 21.8689 -17.7199 95.3493 -67.4788 21.8688 -67.4789 5.56628 GPRESSAVG: 2021600 -56.068 -16.0871 23.107 -18.1585 95.1769 -66.0703 20.081 -67.6927 5.06046 TIMING: 2021600 CPU: 6316.55, 0.00318461/step Wall: 6316.55, 0.00318461/step, 2.63473 hours remaining, 233.730469 MB of memory in use. ENERGY: 2021600 3925.5328 20684.5770 14436.3364 229.5704 -203002.8613 2866.3572 0.0000 0.0000 51876.6728 -108983.8148 298.1360 -160860.4876 -108624.1239 299.7334 -130.3195 -108.1225 763943.7847 14.6807 14.7231 PRESSURE: 2021800 47.9686 -106.861 -49.411 -106.86 -223.903 69.8269 -49.4112 69.8269 -246.443 GPRESSURE: 2021800 17.237 -24.6668 0.239438 -42.1979 -115.53 55.4132 -43.7228 169.224 -255.481 PRESSAVG: 2021800 -17.9616 -26.4958 -33.1084 -26.4957 55.2545 -12.5691 -33.1085 -12.569 -23.0436 GPRESSAVG: 2021800 -18.4037 -27.9547 -33.7819 -22.9879 55.1338 -11.1708 -30.1996 -13.1959 -22.2155 TIMING: 2021800 CPU: 6317.18, 0.00317113/step Wall: 6317.18, 0.00317113/step, 2.6234 hours remaining, 233.730469 MB of memory in use. ENERGY: 2021800 4014.8291 20609.8890 14482.6152 241.8090 -202790.8276 2500.1019 0.0000 0.0000 51894.5908 -109046.9924 298.2389 -160941.5833 -108679.9180 299.4437 -140.7926 -117.9246 763615.0268 4.7498 4.8382 PRESSURE: 2022000 -293.506 20.5084 -274.59 20.5083 -287.404 29.6843 -274.591 29.6841 172.902 GPRESSURE: 2022000 -315.853 -131.516 -235.51 -3.52042 -227.396 -41.8901 -134.69 75.8336 213.166 PRESSAVG: 2022000 -63.4447 7.52242 -8.30524 7.52245 36.16 -27.2111 -8.30519 -27.2111 -7.71721 GPRESSAVG: 2022000 -63.0212 5.60178 -7.179 7.99105 36.5865 -29.585 -8.9386 -27.7232 -8.36052 TIMING: 2022000 CPU: 6317.81, 0.00312912/step Wall: 6317.81, 0.00312912/step, 2.58848 hours remaining, 233.730469 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: 2022000 3960.8725 20576.6485 14506.1452 255.1402 -203303.2022 2939.3945 0.0000 0.0000 52127.6967 -108937.3046 299.5786 -161065.0013 -108582.0143 299.5530 -136.0027 -110.0280 764200.6672 -11.6673 -11.5984 PRESSURE: 2022200 -115.784 -38.937 466.455 -38.9368 -166.018 3.75514 466.455 3.75474 -508.068 GPRESSURE: 2022200 -95.612 8.84858 401.443 -50.6236 -118.937 -29.6416 450.99 -82.1016 -486.418 PRESSAVG: 2022200 -40.2707 24.4851 12.8814 24.4852 7.97351 -32.8855 12.8813 -32.8855 34.0535 GPRESSAVG: 2022200 -41.2161 26.1967 11.5222 23.3794 8.29168 -31.6205 12.0854 -33.2438 34.1763 TIMING: 2022200 CPU: 6318.43, 0.00311043/step Wall: 6318.43, 0.00311043/step, 2.57285 hours remaining, 233.730469 MB of memory in use. ENERGY: 2022200 4003.2393 20412.3568 14409.6240 235.9544 -202854.9920 2620.3065 0.0000 0.0000 52432.3552 -108741.1558 301.3295 -161173.5110 -108366.3301 299.9444 -263.2899 -233.6554 764169.3601 0.5854 0.4173 PRESSURE: 2022400 199.566 39.9941 -168.976 39.9936 335.119 -108.864 -168.976 -108.863 301.956 GPRESSURE: 2022400 265.855 77.4946 -229.316 104.118 334.252 -66.3749 -102.112 -207.339 338.449 PRESSAVG: 2022400 -29.1492 31.4476 17.0583 31.4476 -4.28211 -31.3494 17.0583 -31.3494 -4.27221 GPRESSAVG: 2022400 -28.3506 30.9758 16.626 28.5543 -5.30293 -33.3843 16.826 -32.1281 -4.02038 TIMING: 2022400 CPU: 6319.05, 0.00310858/step Wall: 6319.05, 0.00310858/step, 2.57114 hours remaining, 233.730469 MB of memory in use. ENERGY: 2022400 3962.8394 20571.0861 14447.0291 252.3946 -203103.6881 2797.4393 0.0000 0.0000 52271.8393 -108801.0605 300.4070 -161072.8997 -108435.1508 300.2366 278.8805 312.8519 762045.1083 -12.5678 -12.5580 PRESSURE: 2022600 -496.552 -54.8217 -88.6532 -54.8211 -234.185 75.1373 -88.6531 75.1368 -414.713 GPRESSURE: 2022600 -594.595 -125.026 -101.569 7.07658 -120.169 97.134 -145.135 135.356 -352.238 PRESSAVG: 2022600 -47.0622 -0.280666 3.56705 -0.280662 55.6536 -19.4322 3.56708 -19.4322 -1.58545 GPRESSAVG: 2022600 -47.6827 0.416238 4.15708 1.61534 56.8114 -18.4051 3.66791 -16.3961 -1.77379 TIMING: 2022600 CPU: 6319.68, 0.00311535/step Wall: 6319.68, 0.00311535/step, 2.57657 hours remaining, 233.730469 MB of memory in use. ENERGY: 2022600 4001.9262 20571.0514 14414.0572 269.5686 -203237.2293 2710.1307 0.0000 0.0000 52286.7231 -108983.7722 300.4925 -161270.4952 -108621.7461 300.0807 -381.8166 -355.6673 763561.4142 2.3353 2.4517 PRESSURE: 2022800 -277.822 -14.537 -104.042 -14.5374 -389.333 -87.1146 -104.043 -87.1149 -26.816 GPRESSURE: 2022800 -214.514 40.8383 -111.427 -53.4032 -379.262 -25.4581 -164.881 -122.222 -24.6389 PRESSAVG: 2022800 -59.029 36.1612 -55.2532 36.1612 42.3531 47.8595 -55.2531 47.8595 -18.6298 GPRESSAVG: 2022800 -59.2897 36.9633 -53.3146 36.276 42.7103 48.8744 -55.6482 46.463 -19.1656 TIMING: 2022800 CPU: 6320.3, 0.00312614/step Wall: 6320.3, 0.00312614/step, 2.58532 hours remaining, 233.730469 MB of memory in use. ENERGY: 2022800 3958.3920 20672.0722 14404.1690 231.1905 -203304.7416 2646.6217 0.0000 0.0000 52214.4491 -109177.8471 300.0772 -161392.2962 -108810.1104 299.5534 -231.3237 -206.1380 763275.1744 -11.7686 -11.9150 PRESSURE: 2023000 -71.9469 -63.5033 29.14 -63.5029 12.7919 -94.6326 29.1396 -94.6326 -265.467 GPRESSURE: 2023000 -14.1992 -68.7459 -149.306 -72.2852 -11.5916 -95.3295 -90.37 -16.0722 -222.861 PRESSAVG: 2023000 7.42982 28.9081 -5.44448 28.9081 36.6859 39.3768 -5.44442 39.3769 16.0035 GPRESSAVG: 2023000 8.28125 28.1564 -7.63347 28.2148 35.799 38.9151 -3.64461 38.3886 15.8919 TIMING: 2023000 CPU: 6320.93, 0.00314519/step Wall: 6320.93, 0.00314519/step, 2.6009 hours remaining, 233.730469 MB of memory in use. ENERGY: 2023000 3949.7137 20677.5144 14368.1380 246.5041 -203512.7040 3086.6307 0.0000 0.0000 52131.7677 -109052.4354 299.6020 -161184.2030 -108690.2446 299.7232 -108.2074 -82.8840 762853.4245 20.0397 19.9907 PRESSURE: 2023200 -463.975 97.103 -163.907 97.1028 190.319 -5.00433 -163.907 -5.00581 179.494 GPRESSURE: 2023200 -284.335 107.871 -129.897 72.8434 132.637 -19.3207 -133.568 -128.815 146.578 PRESSAVG: 2023200 -62.0842 37.0983 -25.2343 37.0984 47.736 9.61607 -25.2343 9.61604 16.1437 GPRESSAVG: 2023200 -63.8629 36.5599 -27.0901 37.1712 49.4587 10.0434 -23.7692 10.1532 15.6843 TIMING: 2023200 CPU: 6321.56, 0.00314194/step Wall: 6321.56, 0.00314194/step, 2.59803 hours remaining, 233.730469 MB of memory in use. ENERGY: 2023200 3959.2542 20690.4804 14497.3420 252.7992 -202940.8254 2531.4617 0.0000 0.0000 52224.8518 -108784.6361 300.1369 -161009.4879 -108428.4317 299.9856 -31.3872 -1.7066 763126.1537 0.5985 0.4267 PRESSURE: 2023400 61.3538 17.2558 205.441 17.257 -44.8423 6.52299 205.441 6.52352 -208.108 GPRESSURE: 2023400 23.9081 -66.7149 246.896 160.156 15.4221 -52.9003 195.466 131.599 -152.894 PRESSAVG: 2023400 16.0114 48.33 23.0366 48.33 -11.4069 37.3554 23.0366 37.3554 -2.00248 GPRESSAVG: 2023400 15.6086 47.7487 25.2322 47.6976 -11.5511 35.7823 22.3618 38.7927 -1.56065 TIMING: 2023400 CPU: 6322.18, 0.00313372/step Wall: 6322.18, 0.00313372/step, 2.59107 hours remaining, 233.730469 MB of memory in use. ENERGY: 2023400 4047.1145 20612.0827 14431.9504 246.9854 -202670.8204 2530.0116 0.0000 0.0000 52085.9576 -108716.7182 299.3387 -160802.6758 -108349.0204 299.7728 -63.8656 -37.8547 762172.9903 0.8674 0.8323 PRESSURE: 2023600 222.717 81.7682 -374.838 81.7694 80.7438 135.842 -374.838 135.842 30.0796 GPRESSURE: 2023600 206.89 76.3133 -341.083 103.409 162.964 134.889 -437.811 123.661 54.7552 PRESSAVG: 2023600 2.11579 15.7436 29.37 15.7436 14.8339 -1.53889 29.37 -1.53886 18.6987 GPRESSAVG: 2023600 2.11609 15.9979 30.2591 19.1712 14.9875 0.191284 26.2954 -5.00066 18.6037 TIMING: 2023600 CPU: 6322.81, 0.00313019/step Wall: 6322.81, 0.00313019/step, 2.58797 hours remaining, 233.730469 MB of memory in use. ENERGY: 2023600 3981.0446 20611.4169 14454.0051 233.7715 -202857.9676 2688.1979 0.0000 0.0000 52176.2435 -108713.2881 299.8576 -160889.5315 -108353.8867 299.8590 111.1801 141.5366 762740.7063 11.8828 11.9024 PRESSURE: 2023800 241.717 66.0208 142.437 66.021 -163.807 -29.3087 142.437 -29.3085 348.91 GPRESSURE: 2023800 268.018 -48.0564 127.516 67.7246 -103.894 -82.3398 182.664 73.0932 343.568 PRESSAVG: 2023800 -57.0207 -18.8516 -5.84433 -18.8516 25.3249 -34.7402 -5.84435 -34.7401 -11.7115 GPRESSAVG: 2023800 -57.2972 -18.6819 -7.14514 -20.9025 25.3657 -35.9984 -3.7907 -31.9628 -11.9671 TIMING: 2023800 CPU: 6323.44, 0.00314356/step Wall: 6323.44, 0.00314356/step, 2.59885 hours remaining, 233.730469 MB of memory in use. ENERGY: 2023800 3966.0450 20740.6899 14467.9951 244.3049 -202443.4361 2384.4462 0.0000 0.0000 51906.5999 -108733.3552 298.3079 -160639.9551 -108374.1157 299.7777 142.2732 169.2306 763246.3412 -14.4691 -14.6329 PRESSURE: 2024000 120.453 180.006 6.95358 180.007 223.523 -104.714 6.95348 -104.713 200.958 GPRESSURE: 2024000 175.466 109.939 10.9872 154.127 269.592 -138.122 26.8955 -20.0925 196.775 PRESSAVG: 2024000 -26.0659 28.1997 6.28612 28.1997 11.879 11.9259 6.28617 11.926 5.41413 GPRESSAVG: 2024000 -25.6881 27.4764 6.88899 27.6911 11.6475 11.6252 6.26973 12.1225 4.88968 TIMING: 2024000 CPU: 6324.07, 0.00315355/step Wall: 6324.07, 0.00315355/step, 2.60693 hours remaining, 233.730469 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: 2024000 4026.7235 20509.4442 14416.3658 237.9065 -203071.9051 2859.4884 0.0000 0.0000 52176.6459 -108845.3309 299.8599 -161021.9767 -108490.0493 299.3776 181.6443 213.9443 763926.1945 -2.9243 -3.0503 PRESSURE: 2024200 -307.906 -15.8821 -53.6625 -15.8818 -318.86 -189.017 -53.6626 -189.018 -264.731 GPRESSURE: 2024200 -257.169 152.148 -8.66585 20.2765 -361.708 -74.5182 -2.58032 -305.438 -188.135 PRESSAVG: 2024200 -5.71179 75.9795 -11.7498 75.9795 11.9625 -10.0334 -11.7498 -10.0334 11.7209 GPRESSAVG: 2024200 -6.43949 77.3084 -11.417 77.2468 12.0925 -9.32198 -12.2954 -10.8884 12.7175 TIMING: 2024200 CPU: 6324.69, 0.00312075/step Wall: 6324.69, 0.00312075/step, 2.57964 hours remaining, 233.730469 MB of memory in use. ENERGY: 2024200 3970.7029 20541.0738 14490.7456 252.8805 -202840.7380 2691.0011 0.0000 0.0000 52047.7532 -108846.5809 299.1192 -160894.3341 -108479.3272 299.6220 -297.1658 -269.0041 765528.3067 5.9905 6.1235 LDB: ============= START OF LOAD BALANCING ============== 6337.17 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6337.17 LDB: =============== DONE WITH MIGRATION ================ 6337.17 LDB: ============= START OF LOAD BALANCING ============== 6337.48 LDB: Largest compute 7006 load 0.029362 is 15.0% of average load 0.195151 LDB: Average compute 0.004396 is 2.3% of average load 0.195151 LDB: TIME 6337.49 LOAD: AVG 0.195151 MAX 0.214521 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.82 MB LDB: TIME 6337.49 LOAD: AVG 0.195151 MAX 0.214521 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.82 MB LDB: TIME 6337.49 LOAD: AVG 0.195151 MAX 0.214521 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.82 MB LDB: ============== END OF LOAD BALANCING =============== 6337.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6337.5 PRESSURE: 2024400 -65.7653 -101.415 -156.191 -101.414 -56.996 -70.0617 -156.192 -70.0608 193.236 GPRESSURE: 2024400 -116.235 -130.403 -236.78 -155.632 64.6146 -54.7618 -84.1832 -158.726 196.914 PRESSAVG: 2024400 -37.1637 63.1174 -25.35 63.1175 -29.0766 -3.12954 -25.35 -3.12955 -11.605 GPRESSAVG: 2024400 -35.1907 61.0914 -25.3179 63.4148 -30.2684 -1.52629 -27.5605 -1.64417 -12.3428 TIMING: 2024400 CPU: 6325.33, 0.00317481/step Wall: 6325.33, 0.00317481/step, 2.62416 hours remaining, 233.539062 MB of memory in use. ENERGY: 2024400 3959.3253 20630.5687 14456.8973 237.9369 -202996.3542 2667.8880 0.0000 0.0000 51951.4625 -109092.2754 298.5658 -161043.7379 -108723.6598 299.2872 23.4916 48.4313 764771.8570 -25.9484 -25.9340 PRESSURE: 2024600 -13.8504 295.708 -44.6486 295.708 -62.6802 231.223 -44.6485 231.223 17.0921 GPRESSURE: 2024600 61.8008 282.341 -117.274 311.94 -48.2749 221.701 22.7044 189.218 13.4003 PRESSAVG: 2024600 52.7147 -19.4587 28.9048 -19.4587 -41.1915 35.9253 28.9048 35.9252 -22.888 GPRESSAVG: 2024600 52.4542 -17.904 28.6136 -20.3966 -40.7587 35.5192 29.4442 35.8542 -23.448 TIMING: 2024600 CPU: 6325.95, 0.00312186/step Wall: 6325.95, 0.00312187/step, 2.58022 hours remaining, 233.539062 MB of memory in use. ENERGY: 2024600 3930.6634 20640.8566 14484.2264 236.5263 -203240.9067 2821.1684 0.0000 0.0000 52087.2514 -109040.2141 299.3461 -161127.4655 -108686.3067 299.1723 -19.8128 8.9754 762006.1114 -3.7883 -3.9175 PRESSURE: 2024800 85.6486 -37.062 117.859 -37.0623 -93.5102 -89.708 117.859 -89.7092 201.497 GPRESSURE: 2024800 179.929 -8.11138 118.091 -65.6687 -90.8556 -150.424 129.969 -59.0796 186.04 PRESSAVG: 2024800 43.385 -5.9784 9.08572 -5.97836 3.42384 -25.6529 9.08576 -25.6528 21.1888 GPRESSAVG: 2024800 42.8912 -4.60478 8.05461 -5.29706 2.49857 -25.5692 10.8032 -26.731 22.5773 TIMING: 2024800 CPU: 6326.58, 0.0031219/step Wall: 6326.58, 0.0031219/step, 2.58008 hours remaining, 233.539062 MB of memory in use. ENERGY: 2024800 4042.2324 20581.9443 14442.6012 246.4815 -203103.6158 2711.1649 0.0000 0.0000 51960.2257 -109118.9659 298.6161 -161079.1916 -108764.4747 299.4517 64.5452 91.7044 761578.6686 22.6659 22.6557 PRESSURE: 2025000 -35.1483 144.172 -248.119 144.171 -80.1432 9.6811 -248.119 9.68074 27.4133 GPRESSURE: 2025000 0.347255 207.518 -343.744 146.191 -29.1391 -53.5621 -199.731 39.7887 21.3094 PRESSAVG: 2025000 56.4727 7.8493 -41.1786 7.84929 -16.2729 7.97764 -41.1786 7.97758 -33.0613 GPRESSAVG: 2025000 57.1383 5.89457 -40.2509 7.88354 -15.7711 5.66089 -41.1991 8.37634 -34.2367 TIMING: 2025000 CPU: 6327.2, 0.0031266/step Wall: 6327.2, 0.0031266/step, 2.58379 hours remaining, 233.539062 MB of memory in use. ENERGY: 2025000 3909.6197 20532.9816 14456.7077 244.3085 -202944.2521 2468.4058 0.0000 0.0000 52160.7368 -109171.4920 299.7685 -161332.2288 -108800.9448 298.9050 -29.2927 -2.4942 762452.0362 2.3795 2.3769 PRESSURE: 2025200 -98.9715 -33.199 123.412 -33.1987 69.2028 96.7491 123.412 96.7495 77.2933 GPRESSURE: 2025200 9.44529 33.089 91.956 -89.158 123.425 33.4267 80.0584 63.139 -16.1338 PRESSAVG: 2025200 -13.5395 88.8484 -60.3288 88.8484 10.4027 -25.5011 -60.3288 -25.501 18.5303 GPRESSAVG: 2025200 -14.5464 90.5983 -62.6034 87.7353 11.0585 -24.5899 -61.6961 -26.6206 18.4234 TIMING: 2025200 CPU: 6327.83, 0.00312292/step Wall: 6327.83, 0.00312292/step, 2.58057 hours remaining, 233.539062 MB of memory in use. ENERGY: 2025200 4029.8769 20572.7286 14478.3364 262.8416 -203496.9081 2982.9825 0.0000 0.0000 52184.2103 -108985.9318 299.9034 -161170.1421 -108615.5418 299.2188 15.8416 38.9121 761121.8748 5.1312 4.9785 PRESSURE: 2025400 202.667 -22.3661 77.6971 -22.3655 80.9754 -130.428 77.697 -130.429 -25.2088 GPRESSURE: 2025400 175.218 -125.053 77.0442 -20.9959 124.633 -74.7154 139.533 63.1759 44.6679 PRESSAVG: 2025400 64.7373 23.1354 -39.2343 23.1353 -55.2562 -4.3428 -39.2343 -4.34284 17.6743 GPRESSAVG: 2025400 65.0356 20.2523 -37.142 23.2224 -55.5338 -5.18746 -40.4636 -3.18947 17.8679 TIMING: 2025400 CPU: 6328.45, 0.00312688/step Wall: 6328.45, 0.00312688/step, 2.58367 hours remaining, 233.539062 MB of memory in use. ENERGY: 2025400 3970.9487 20603.6335 14444.6677 266.7527 -203277.4966 2656.5079 0.0000 0.0000 52159.3784 -109175.6077 299.7607 -161334.9862 -108812.0559 299.7228 86.1446 114.8395 762645.3668 9.0518 9.1232 PRESSURE: 2025600 -121.222 -66.9237 -136.663 -66.9234 -376.37 388.357 -136.663 388.359 -200.487 GPRESSURE: 2025600 -103.763 -140.005 -62.5243 -57.1467 -329.517 353.795 -180.599 331.182 -187.905 PRESSAVG: 2025600 71.3645 2.94546 -25.2482 2.94547 -77.0115 15.7873 -25.2481 15.7872 17.1982 GPRESSAVG: 2025600 71.5227 5.93044 -24.3837 3.02716 -76.6599 17.0642 -24.6406 15.6121 16.1896 TIMING: 2025600 CPU: 6329.08, 0.00311979/step Wall: 6329.08, 0.00311979/step, 2.57764 hours remaining, 233.539062 MB of memory in use. ENERGY: 2025600 3997.5851 20510.4893 14511.9230 251.8715 -203078.0314 2528.0653 0.0000 0.0000 52050.2700 -109227.8273 299.1336 -161278.0972 -108862.7172 299.1499 -232.6930 -207.0617 763737.4279 3.8504 3.6841 PRESSURE: 2025800 271.51 -93.6965 -83.1983 -93.6956 156.92 250.009 -83.1988 250.008 417.689 GPRESSURE: 2025800 329.291 -253.738 -99.5734 -92.7357 152.445 206.121 -121.696 264.437 463.549 PRESSAVG: 2025800 49.7683 -5.26314 -18.828 -5.26314 -12.8294 26.1357 -18.828 26.1358 -4.40179 GPRESSAVG: 2025800 50.6042 -6.54553 -19.9425 -6.01945 -13.4594 27.2687 -18.0935 26.5878 -3.93367 TIMING: 2025800 CPU: 6329.7, 0.00310791/step Wall: 6329.7, 0.00310791/step, 2.56765 hours remaining, 233.539062 MB of memory in use. ENERGY: 2025800 4000.8555 20549.7491 14448.9167 270.7023 -203407.3516 3006.6111 0.0000 0.0000 51941.0571 -109189.4599 298.5060 -161130.5170 -108836.8884 299.2991 282.0398 315.0950 763018.8950 10.8457 11.0704 PRESSURE: 2026000 309.904 70.7464 185.521 70.746 -87.6132 -34.6761 185.522 -34.6766 328 GPRESSURE: 2026000 258.236 106.7 164.19 121.225 5.6591 81.9658 223.265 -41.9505 371.373 PRESSAVG: 2026000 -4.06856 50.3209 -4.20681 50.3209 -51.7703 11.7199 -4.20682 11.7199 -11.6532 GPRESSAVG: 2026000 -3.24047 50.8633 -3.33838 51.478 -51.5554 11.837 -4.6304 10.7538 -12.7121 TIMING: 2026000 CPU: 6330.32, 0.00310374/step Wall: 6330.32, 0.00310374/step, 2.56403 hours remaining, 233.539062 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: 2026000 3963.6432 20709.7706 14429.3198 268.0617 -203276.1928 2824.2484 0.0000 0.0000 51936.3201 -109144.8292 298.4787 -161081.1493 -108790.6979 299.0644 183.4303 211.7560 763024.1865 -22.4974 -22.5027 PRESSURE: 2026200 3.62631 193.669 276.038 193.67 69.0027 -214.57 276.039 -214.57 299.497 GPRESSURE: 2026200 147.426 194.546 275.325 222.704 53.4282 -148.885 394.961 -256.992 266.917 PRESSAVG: 2026200 18.3681 10.8154 7.56109 10.8155 12.9794 -6.10798 7.56112 -6.10793 -24.3305 GPRESSAVG: 2026200 17.7207 11.8482 6.51064 11.4742 11.9779 -6.42503 9.06659 -6.17072 -23.1811 TIMING: 2026200 CPU: 6330.95, 0.00315177/step Wall: 6330.95, 0.00315177/step, 2.60354 hours remaining, 233.539062 MB of memory in use. ENERGY: 2026200 3953.7071 20684.8375 14460.8900 262.9556 -202992.3650 2627.1275 0.0000 0.0000 51994.2194 -109008.6279 298.8115 -161002.8473 -108644.7230 299.6124 124.0419 155.9236 760699.0863 2.3390 2.1725 PRESSURE: 2026400 324.766 -28.068 -20.7129 -28.0681 -208.987 26.0268 -20.7133 26.0267 -51.8971 GPRESSURE: 2026400 324.884 36.9146 -42.4194 -46.758 -184.305 -10.4537 -32.795 50.0149 33.6251 PRESSAVG: 2026400 22.8909 25.3124 1.22776 25.3124 2.0638 -41.3733 1.22774 -41.3733 -10.4235 GPRESSAVG: 2026400 22.8154 23.4737 1.40043 24.4591 2.69025 -40.7955 0.614063 -43.1314 -11.1294 TIMING: 2026400 CPU: 6331.58, 0.00316816/step Wall: 6331.58, 0.00316816/step, 2.6169 hours remaining, 233.539062 MB of memory in use. ENERGY: 2026400 4011.1310 20734.2516 14422.0515 246.5244 -203037.7699 2658.8075 0.0000 0.0000 51783.7701 -109181.2338 297.6020 -160965.0039 -108820.8018 299.3222 21.2940 58.0682 763759.3306 4.8437 4.7921 PRESSURE: 2026600 262.54 -136.771 142.685 -136.772 123.738 -70.4317 142.686 -70.4313 -10.2956 GPRESSURE: 2026600 293.064 -81.016 206.77 -151.855 167.385 -9.41763 227.517 -125.774 -0.363328 PRESSAVG: 2026600 -15.2042 5.31307 -16.9635 5.31301 2.24629 41.5725 -16.9635 41.5724 -2.05107 GPRESSAVG: 2026600 -16.5557 5.5905 -17.0025 3.60624 1.40075 40.1684 -17.4573 42.7813 -0.412769 TIMING: 2026600 CPU: 6332.21, 0.00314762/step Wall: 6332.21, 0.00314762/step, 2.59976 hours remaining, 233.539062 MB of memory in use. ENERGY: 2026600 3847.6158 20640.0065 14456.3781 243.9223 -203316.5800 2820.6824 0.0000 0.0000 52107.1216 -109200.8534 299.4603 -161307.9750 -108852.0050 298.9070 125.3275 153.3618 762217.5349 -5.0030 -5.1892 PRESSURE: 2026800 -436.006 238.526 -196.449 238.525 46.2902 -30.4005 -196.45 -30.4004 -18.2611 GPRESSURE: 2026800 -455.985 292.608 -176.373 141.296 172.579 -39.4927 -261.992 -5.41707 -56.6951 PRESSAVG: 2026800 -4.95335 33.6509 49.1723 33.6509 49.2516 -39.7955 49.1724 -39.7954 -30.8318 GPRESSAVG: 2026800 -4.21729 33.5072 48.6361 34.5548 49.9712 -39.1446 49.5407 -39.892 -32.6532 TIMING: 2026800 CPU: 6332.84, 0.00311432/step Wall: 6332.84, 0.00311432/step, 2.57208 hours remaining, 233.539062 MB of memory in use. ENERGY: 2026800 3976.4693 20428.4620 14486.5854 233.4850 -202974.5884 2460.9186 0.0000 0.0000 52125.8853 -109262.7828 299.5682 -161388.6681 -108895.7920 299.0304 -135.9923 -113.3673 761544.0345 4.4888 4.3669 PRESSURE: 2027000 -426.468 283.852 507.826 283.852 -196.988 -111.6 507.827 -111.599 211.53 GPRESSURE: 2027000 -367.218 229.16 517.151 287.327 -184.656 -65.9838 482.06 -207.337 212.447 PRESSAVG: 2027000 -26.0696 17.4718 -3.25381 17.4718 33.0808 -134.789 -3.25382 -134.789 13.302 GPRESSAVG: 2027000 -26.3179 16.7041 -1.94874 19.3305 32.9785 -134.689 -4.98609 -133.54 13.3406 TIMING: 2027000 CPU: 6333.46, 0.00312182/step Wall: 6333.46, 0.00312183/step, 2.57811 hours remaining, 233.539062 MB of memory in use. ENERGY: 2027000 4004.6063 20435.0676 14419.0314 256.4547 -203008.8851 2538.5129 0.0000 0.0000 52140.4240 -109214.7881 299.6517 -161355.2122 -108853.6808 299.0401 -137.3086 -113.1424 763525.2125 6.7711 6.6671 PRESSURE: 2027200 -239.598 31.861 -138.762 31.8604 -19.9379 -156.41 -138.762 -156.41 -364.861 GPRESSURE: 2027200 -140.502 19.33 -75.0819 -115.063 5.64299 -72.6492 -176.811 -5.98866 -386.565 PRESSAVG: 2027200 7.95037 -15.2056 46.8112 -15.2055 -7.23978 -19.618 46.8112 -19.6179 -10.745 GPRESSAVG: 2027200 8.66777 -15.0949 45.6788 -18.2079 -8.06298 -20.1816 48.0959 -20.8387 -11.2277 TIMING: 2027200 CPU: 6334.09, 0.00314135/step Wall: 6334.09, 0.00314135/step, 2.59406 hours remaining, 233.539062 MB of memory in use. ENERGY: 2027200 3992.8333 20763.3963 14483.4232 245.1414 -203399.9838 2714.9960 0.0000 0.0000 52090.0237 -109110.1699 299.3621 -161200.1936 -108757.2880 299.2954 -208.1323 -173.8078 763149.6192 -3.3448 -3.5410 PRESSURE: 2027400 169.751 228.026 1.66131 228.026 34.4183 -131.7 1.66157 -131.699 -12.748 GPRESSURE: 2027400 230.116 328.625 -127.76 178.473 70.5493 -88.3043 77.5978 -181.692 -9.82453 PRESSAVG: 2027400 -29.8894 10.9072 38.4548 10.9072 -18.9189 -65.1731 38.4547 -65.1731 16.626 GPRESSAVG: 2027400 -29.408 12.5272 38.4981 9.81637 -20.0132 -65.8178 40.0053 -63.6816 17.4922 TIMING: 2027400 CPU: 6334.72, 0.00314202/step Wall: 6334.72, 0.00314202/step, 2.59444 hours remaining, 233.539062 MB of memory in use. ENERGY: 2027400 3988.6919 20538.4230 14484.5837 240.3512 -203304.5483 2900.1437 0.0000 0.0000 51985.8777 -109166.4770 298.7636 -161152.3548 -108807.5853 299.1057 63.8070 96.9469 762434.4801 -10.7274 -10.6430 PRESSURE: 2027600 -380.872 -218.46 96.2877 -218.46 -8.84501 -19.5879 96.2878 -19.5867 -49.8522 GPRESSURE: 2027600 -342.636 -177.799 92.1314 -125.005 4.43357 -82.3523 6.20416 19.645 -17.624 PRESSAVG: 2027600 14.8355 -21.3418 68.9999 -21.3418 26.2629 17.2472 68.9999 17.2473 -3.53689 GPRESSAVG: 2027600 13.6715 -22.1147 70.7812 -19.4355 27.8522 17.6253 65.4633 15.5036 -4.37539 TIMING: 2027600 CPU: 6335.35, 0.0031691/step Wall: 6335.35, 0.0031691/step, 2.61662 hours remaining, 233.539062 MB of memory in use. ENERGY: 2027600 4009.1018 20568.5908 14404.9276 262.0118 -202853.2487 2512.8546 0.0000 0.0000 52031.7145 -109064.0477 299.0270 -161095.7622 -108696.0561 299.6497 -146.5230 -118.6089 763249.6670 12.5205 12.3828 PRESSURE: 2027800 36.0228 -184.171 44.1827 -184.172 126.285 -25.6118 44.183 -25.6124 263.167 GPRESSURE: 2027800 128.391 -178.072 49.1618 -218.641 90.8702 -59.416 100.828 -54.7355 282.001 PRESSAVG: 2027800 11.6334 8.6119 56.7971 8.61187 -27.3699 -65.128 56.7971 -65.128 11.0229 GPRESSAVG: 2027800 12.1416 9.04089 56.5067 7.39463 -27.6797 -63.8951 58.1172 -65.3938 11.1601 TIMING: 2027800 CPU: 6335.98, 0.00316653/step Wall: 6335.98, 0.00316653/step, 2.61432 hours remaining, 233.539062 MB of memory in use. ENERGY: 2027800 3892.8105 20617.9018 14420.4049 241.1924 -202984.5881 2527.6818 0.0000 0.0000 52228.0272 -109056.5695 300.1552 -161284.5966 -108685.7489 299.7922 141.8250 167.0874 761585.1852 -1.5712 -1.4593 PRESSURE: 2028000 -77.0081 -2.9055 -3.74017 -2.90593 -56.1849 -174.883 -3.74065 -174.884 115.164 GPRESSURE: 2028000 65.9637 -64.1245 60.3805 101.922 -89.1503 -208.796 -9.23287 -4.36436 89.4277 PRESSAVG: 2028000 1.0823 -29.4014 -21.2217 -29.4014 -20.8519 -39.9133 -21.2217 -39.9134 3.51195 GPRESSAVG: 2028000 0.83412 -31.2609 -21.0552 -28.1541 -20.9859 -40.6792 -18.982 -39.1978 3.59721 TIMING: 2028000 CPU: 6336.61, 0.00314022/step Wall: 6336.61, 0.00314022/step, 2.59243 hours remaining, 233.539062 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: 2028000 3963.3906 20498.4350 14468.0694 245.5464 -203085.6924 2718.3429 0.0000 0.0000 52153.3392 -109038.5689 299.7260 -161191.9081 -108665.2536 299.8498 -6.0096 22.0804 763146.4822 -5.4192 -5.5182 PRESSURE: 2028200 -214.692 -237.625 114.032 -237.626 30.0834 17.6321 114.033 17.6328 -129.254 GPRESSURE: 2028200 -250.422 -144.416 113.394 -225.688 148.289 45.7197 175.065 -63.8876 -137.396 PRESSAVG: 2028200 36.0133 4.36 -39.4988 4.36002 -36.1635 -12.0453 -39.4989 -12.0454 -6.79925 GPRESSAVG: 2028200 35.4456 4.54431 -39.4072 3.06492 -36.4381 -13.2753 -40.5938 -12.928 -5.61047 TIMING: 2028200 CPU: 6337.24, 0.00313782/step Wall: 6337.24, 0.00313782/step, 2.59027 hours remaining, 233.539062 MB of memory in use. ENERGY: 2028200 3995.9038 20657.9911 14407.7683 251.2210 -203443.2964 2712.4210 0.0000 0.0000 52113.8876 -109304.1036 299.4992 -161417.9912 -108939.1736 299.9948 -104.6209 -79.8430 761888.8419 -2.3165 -2.2010 LDB: ============= START OF LOAD BALANCING ============== 6349.72 LDB: ============== END OF LOAD BALANCING =============== 6349.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6349.72 LDB: ============= START OF LOAD BALANCING ============== 6350.04 LDB: Largest compute 7069 load 0.031076 is 15.9% of average load 0.194991 LDB: Average compute 0.004391 is 2.3% of average load 0.194991 LDB: TIME 6350.04 LOAD: AVG 0.194991 MAX 0.215106 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.051 MB LDB: TIME 6350.04 LOAD: AVG 0.194991 MAX 0.215106 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.16 MB LDB: TIME 6350.04 LOAD: AVG 0.194991 MAX 0.215106 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.16 MB LDB: ============== END OF LOAD BALANCING =============== 6350.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6350.05 PRESSURE: 2028400 -215.717 -60.8488 43.6654 -60.849 11.3675 -70.9017 43.6655 -70.9008 97.5745 GPRESSURE: 2028400 -193.621 -49.6616 126.789 -65.086 41.9643 -70.9191 -7.08705 -106.333 120.708 PRESSAVG: 2028400 -19.9156 1.51549 45.6863 1.51555 -26.4639 -43.8215 45.6863 -43.8215 5.57002 GPRESSAVG: 2028400 -18.9689 2.68858 46.1389 -0.11163 -26.7341 -42.9804 46.9939 -43.5253 4.81057 TIMING: 2028400 CPU: 6337.88, 0.00320798/step Wall: 6337.88, 0.00320799/step, 2.64801 hours remaining, 233.539062 MB of memory in use. ENERGY: 2028400 4012.3760 20514.2672 14377.2888 244.3350 -203453.6904 2823.5519 0.0000 0.0000 51937.8807 -109543.9907 298.4877 -161481.8714 -109183.0095 298.7292 -35.5915 -10.3163 760901.1553 -13.6032 -13.6308 PRESSURE: 2028600 256.296 6.60901 -448.166 6.60808 146.519 22.2468 -448.166 22.2467 112.581 GPRESSURE: 2028600 262.565 -28.007 -367.022 61.6468 137.332 57.319 -437.258 -47.7153 206.18 PRESSAVG: 2028600 5.82259 -34.4642 32.9527 -34.4643 -51.1077 16.1833 32.9527 16.1832 -19.8627 GPRESSAVG: 2028600 5.14704 -35.5144 32.8699 -31.2867 -51.2186 14.6396 32.3648 16.1569 -19.2932 TIMING: 2028600 CPU: 6338.51, 0.00312909/step Wall: 6338.51, 0.00312909/step, 2.58272 hours remaining, 233.539062 MB of memory in use. ENERGY: 2028600 3983.8784 20546.2492 14464.7601 267.5407 -203582.0243 2690.7577 0.0000 0.0000 51922.1428 -109706.6954 298.3973 -161628.8382 -109349.7494 298.4406 171.7987 202.0253 761702.1727 -21.7159 -21.7882 PRESSURE: 2028800 -82.3746 68.1142 213.458 68.1139 -97.0437 414.496 213.458 414.496 210.678 GPRESSURE: 2028800 57.6421 2.0334 258.237 54.3542 -67.3349 526.093 310.072 226.755 125.974 PRESSAVG: 2028800 -40.568 17.0955 -2.50708 17.0955 18.5529 -52.2602 -2.50708 -52.2603 -2.91287 GPRESSAVG: 2028800 -40.6159 18.211 -3.54706 15.5795 19.7821 -50.519 -2.43221 -51.7114 -3.91684 TIMING: 2028800 CPU: 6339.13, 0.00312475/step Wall: 6339.13, 0.00312475/step, 2.57896 hours remaining, 233.539062 MB of memory in use. ENERGY: 2028800 3962.5487 20391.9084 14365.0334 240.4641 -203452.0865 2812.2452 0.0000 0.0000 52083.9476 -109595.9390 299.3272 -161679.8866 -109232.9468 298.8588 10.4197 38.7604 760894.4092 -8.3093 -8.2502 PRESSURE: 2029000 -14.8028 147.241 88.8036 147.242 -95.7184 16.1311 88.8037 16.1318 -114.318 GPRESSURE: 2029000 31.8032 80.2075 80.4518 91.1645 -76.8155 -21.2382 99.1964 -25.0947 -84.1769 PRESSAVG: 2029000 -21.6494 6.91699 4.26191 6.91698 -0.91615 -40.0616 4.26192 -40.0616 10.4729 GPRESSAVG: 2029000 -21.0835 7.30204 5.21209 7.09955 -0.85495 -40.6123 3.25238 -39.9007 9.61889 TIMING: 2029000 CPU: 6339.76, 0.00313659/step Wall: 6339.76, 0.00313659/step, 2.58855 hours remaining, 233.539062 MB of memory in use. ENERGY: 2029000 3953.0760 20502.4736 14401.8905 245.3711 -203488.6162 2864.3160 0.0000 0.0000 51988.2362 -109533.2529 298.7771 -161521.4891 -109172.8106 298.8785 -74.9463 -43.0630 761888.9492 -4.0309 -4.1065 PRESSURE: 2029200 -461.284 -40.8158 210.169 -40.8155 -393.888 -111.28 210.169 -111.281 -365.481 GPRESSURE: 2029200 -421.896 -88.2676 213.243 -131.648 -368.935 -94.6644 163.53 -155.415 -346.785 PRESSAVG: 2029200 -16.317 -29.7005 41.4115 -29.7005 5.82398 -56.5856 41.4114 -56.5856 11.9653 GPRESSAVG: 2029200 -16.386 -28.7244 41.4339 -28.6924 6.07263 -56.613 42.4095 -56.9089 12.9142 TIMING: 2029200 CPU: 6340.38, 0.00310936/step Wall: 6340.38, 0.00310936/step, 2.56592 hours remaining, 233.539062 MB of memory in use. ENERGY: 2029200 4031.2624 20552.2430 14325.4732 256.3951 -203382.7663 2571.4984 0.0000 0.0000 52165.1471 -109480.7470 299.7938 -161645.8941 -109110.8773 299.0076 -406.8845 -379.2053 761049.1241 0.4908 0.8669 PRESSURE: 2029400 115.9 20.3704 -206.254 20.3701 -20.0989 -37.6991 -206.254 -37.6989 51.7823 GPRESSURE: 2029400 153.005 46.7711 -212.922 -32.2976 6.81393 -58.0552 -94.9452 2.73957 55.8365 PRESSAVG: 2029400 -6.49782 0.888065 32.61 0.888114 -18.5951 -15.6224 32.6101 -15.6224 -14.1815 GPRESSAVG: 2029400 -5.86327 -1.2606 33.0297 2.20692 -19.4089 -15.588 32.2866 -14.3677 -14.1959 TIMING: 2029400 CPU: 6341, 0.00311194/step Wall: 6341, 0.00311194/step, 2.56787 hours remaining, 233.539062 MB of memory in use. ENERGY: 2029400 3878.9864 20739.8070 14316.8910 259.0808 -203299.2227 2612.0301 0.0000 0.0000 51961.7479 -109530.6796 298.6249 -161492.4275 -109170.6460 298.6831 49.1943 71.8850 761471.0779 -13.0915 -13.1560 PRESSURE: 2029600 -209.213 -229.437 153.539 -229.436 -196.314 -180.614 153.539 -180.614 -58.592 GPRESSURE: 2029600 -269.392 -299.082 163.907 -197.915 -70.2103 -161.417 91.1306 -30.3477 -56.8805 PRESSAVG: 2029600 29.3945 3.97096 22.2369 3.97097 -7.35984 31.5044 22.237 31.5043 25.792 GPRESSAVG: 2029600 27.9416 5.32432 20.9635 1.72043 -6.57435 31.8436 21.3283 31.292 26.1717 TIMING: 2029600 CPU: 6341.63, 0.00313171/step Wall: 6341.63, 0.00313171/step, 2.58401 hours remaining, 233.539062 MB of memory in use. ENERGY: 2029600 3990.7652 20552.1907 14434.0151 250.8407 -203302.3747 2618.1542 0.0000 0.0000 52020.3043 -109436.1045 298.9614 -161456.4088 -109070.5376 298.8938 -154.7062 -132.1610 761152.8772 15.9422 15.8463 PRESSURE: 2029800 205.803 -67.7134 -186.174 -67.7133 -56.122 11.6668 -186.173 11.6663 -29.1778 GPRESSURE: 2029800 75.7326 13.8505 -166.427 -73.1327 72.4156 61.1865 -210.863 -179.223 36.8934 PRESSAVG: 2029800 16.9139 -47.3427 -14.0368 -47.3427 -59.8034 -40.3059 -14.0367 -40.306 -8.89185 GPRESSAVG: 2029800 16.9224 -46.6693 -12.1771 -48.0549 -60.1264 -41.107 -13.4465 -42.8951 -8.88527 TIMING: 2029800 CPU: 6342.26, 0.00312513/step Wall: 6342.26, 0.00312513/step, 2.5784 hours remaining, 233.539062 MB of memory in use. ENERGY: 2029800 3964.8903 20417.0395 14355.8360 243.9272 -202825.1509 2388.4599 0.0000 0.0000 52049.9376 -109405.0603 299.1317 -161454.9979 -109046.8466 298.7456 40.1676 61.6805 762424.9743 -17.2605 -17.3631 PRESSURE: 2030000 -281.6 -283.414 -127.958 -283.415 -232.557 14.3534 -127.958 14.3525 -465.103 GPRESSURE: 2030000 -283.972 -194.197 -80.5512 -153.564 -194.209 110.196 -202.044 -44.0185 -416.525 PRESSAVG: 2030000 -2.20459 -7.19925 -53.546 -7.19919 1.78742 -28.197 -53.5461 -28.1969 -7.5781 GPRESSAVG: 2030000 -1.27876 -8.33053 -53.6302 -6.58635 0.565232 -29.2899 -54.9415 -26.5898 -7.52269 TIMING: 2030000 CPU: 6342.88, 0.00311411/step Wall: 6342.88, 0.00311411/step, 2.56914 hours remaining, 233.539062 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: 2030000 4046.5717 20636.2908 14371.7510 246.1745 -202992.2203 2440.9653 0.0000 0.0000 51828.0509 -109422.4161 297.8565 -161250.4670 -109066.8804 299.3281 -326.4202 -298.2352 763770.0595 -2.6651 -2.7454 PRESSURE: 2030200 8.20629 -178.49 -199.419 -178.49 -406.212 -17.1301 -199.419 -17.1296 116.483 GPRESSURE: 2030200 94.3923 -153.445 -160.573 -95.2065 -335.421 -55.8689 -39.826 -28.2277 64.0652 PRESSAVG: 2030200 35.7058 -17.9212 -5.88135 -17.9212 -84.7454 7.84016 -5.8814 7.84015 5.76927 GPRESSAVG: 2030200 36.1361 -16.9513 -7.37011 -17.6397 -82.9165 8.34716 -4.22206 7.58753 4.06137 TIMING: 2030200 CPU: 6343.5, 0.00312487/step Wall: 6343.5, 0.00312487/step, 2.57784 hours remaining, 233.539062 MB of memory in use. ENERGY: 2030200 4047.3291 20470.1763 14396.2228 235.4062 -202964.0976 2452.6139 0.0000 0.0000 51733.1368 -109629.2125 297.3110 -161362.3492 -109270.5064 298.5526 -93.8408 -58.9877 762310.9174 -14.4235 -14.2397 PRESSURE: 2030400 -77.1141 -102.936 24.8209 -102.936 -70.0751 11.8723 24.8203 11.8714 -28.51 GPRESSURE: 2030400 -134.681 -63.0513 22.4833 -27.2442 29.8482 3.76858 71.8589 14.3574 -5.93532 PRESSAVG: 2030400 15.0251 -2.08842 -22.9566 -2.0884 -38.1875 -0.210706 -22.9567 -0.210737 -12.1577 GPRESSAVG: 2030400 16.252 -3.82995 -21.7564 0.178836 -38.8741 -0.121652 -23.7469 -1.38157 -12.5436 TIMING: 2030400 CPU: 6344.13, 0.00312646/step Wall: 6344.13, 0.00312645/step, 2.57898 hours remaining, 233.539062 MB of memory in use. ENERGY: 2030400 3991.8617 20440.2846 14363.9433 249.6072 -203250.1235 2711.0190 0.0000 0.0000 52024.7357 -109468.6722 298.9869 -161493.4078 -109104.0477 298.8591 -58.5664 -36.9226 760965.0975 -11.7734 -11.7219 PRESSURE: 2030600 -180.185 272.239 -5.69328 272.239 358.523 -205.8 -5.69265 -205.8 37.4357 GPRESSURE: 2030600 -117.138 174.019 -7.61659 230.683 367.075 -273.083 -47.7058 -48.8231 39.5428 PRESSAVG: 2030600 12.0012 -5.94679 -20.1658 -5.94673 -19.7853 -32.6823 -20.1658 -32.6823 -11.2834 GPRESSAVG: 2030600 10.561 -5.31847 -20.7023 -7.02327 -18.7066 -31.8432 -18.0665 -30.9477 -10.4604 TIMING: 2030600 CPU: 6344.75, 0.0031233/step Wall: 6344.75, 0.0031233/step, 2.57621 hours remaining, 233.539062 MB of memory in use. ENERGY: 2030600 3946.1060 20668.3507 14410.9337 240.2194 -204013.1699 3106.2527 0.0000 0.0000 52189.0475 -109452.2599 299.9312 -161641.3074 -109095.8951 299.2661 71.9247 96.4933 760372.5062 -6.3559 -6.2020 PRESSURE: 2030800 166.449 108.464 40.4219 108.463 194.044 -326.452 40.4229 -326.452 -376.098 GPRESSURE: 2030800 203.836 190.019 61.0744 141.825 172.62 -346.016 -62.2884 -259.962 -331.892 PRESSAVG: 2030800 -26.6112 30.9593 -13.4109 30.9592 22.4377 -4.14481 -13.4109 -4.14476 -2.05806 GPRESSAVG: 2030800 -25.5642 34.2212 -12.689 29.7974 21.9149 -4.27603 -15.4838 -5.0161 -2.04064 TIMING: 2030800 CPU: 6345.38, 0.00314089/step Wall: 6345.38, 0.00314089/step, 2.59054 hours remaining, 233.539062 MB of memory in use. ENERGY: 2030800 3953.6466 20687.5869 14351.9541 261.6378 -203443.0213 2765.3096 0.0000 0.0000 52041.7494 -109381.1368 299.0846 -161422.8862 -109028.7493 298.6249 -5.2019 14.8548 761095.1277 -2.0772 -1.8966 PRESSURE: 2031000 235.169 -78.4184 111.905 -78.418 255.247 -166.561 111.905 -166.562 73.6579 GPRESSURE: 2031000 215.526 -82.8834 148.396 -52.3819 304.6 -131.396 18.5847 -169.814 148.798 PRESSAVG: 2031000 -17.7668 -17.2835 35.4585 -17.2835 -2.3929 9.69227 35.4585 9.69229 -0.41946 GPRESSAVG: 2031000 -18.3302 -19.6916 34.2669 -17.8075 -3.1145 9.15908 35.4901 10.0487 0.504354 TIMING: 2031000 CPU: 6346.01, 0.00314949/step Wall: 6346.01, 0.00314949/step, 2.59745 hours remaining, 233.539062 MB of memory in use. ENERGY: 2031000 4008.7156 20536.5371 14411.5671 235.2693 -203308.0585 2741.1414 0.0000 0.0000 51894.3883 -109480.4397 298.2378 -161374.8280 -109111.3380 299.2767 188.0248 222.9746 760353.6753 -6.8597 -6.9801 PRESSURE: 2031200 -371.24 -18.0285 -68.5852 -18.028 -39.7621 118.364 -68.5845 118.364 -164.826 GPRESSURE: 2031200 -329.399 -41.3589 -79.3219 -187.02 -4.8213 112.571 -71.0454 79.7253 -168.864 PRESSAVG: 2031200 23.1428 20.4494 32.6166 20.4495 -25.261 -76.9746 32.6166 -76.9746 14.9603 GPRESSAVG: 2031200 22.6138 22.3277 32.5659 21.1779 -23.349 -76.8948 32.2531 -77.3395 13.8436 TIMING: 2031200 CPU: 6346.64, 0.00313432/step Wall: 6346.64, 0.00313432/step, 2.58477 hours remaining, 233.539062 MB of memory in use. ENERGY: 2031200 3999.6725 20547.3540 14438.6077 262.1351 -203292.6056 2546.0133 0.0000 0.0000 52168.8190 -109330.0041 299.8149 -161498.8230 -108960.7145 299.0149 -191.9428 -167.6948 762152.0791 4.2807 4.3695 PRESSURE: 2031400 74.2841 -149.609 86.2249 -149.609 -60.7212 122.988 86.2248 122.989 171.619 GPRESSURE: 2031400 100.715 -12.0373 -26.5592 -262.928 6.71576 7.15743 201.584 -7.54102 161.291 PRESSAVG: 2031400 42.0046 -4.97122 -50.9011 -4.97127 -7.52182 9.11489 -50.9011 9.11492 14.4243 GPRESSAVG: 2031400 43.6842 -6.857 -51.2926 -3.94553 -8.998 9.98122 -49.599 9.00159 14.2637 TIMING: 2031400 CPU: 6347.26, 0.00312588/step Wall: 6347.26, 0.00312588/step, 2.57763 hours remaining, 233.539062 MB of memory in use. ENERGY: 2031400 3984.4881 20569.6581 14521.5465 235.5634 -203638.4797 2871.9842 0.0000 0.0000 52260.4009 -109194.8385 300.3412 -161455.2394 -108826.8274 299.5634 61.7272 89.5740 761395.9241 16.3024 16.3166 PRESSURE: 2031600 301.667 41.0807 -70.0122 41.0811 182.74 -255.906 -70.0113 -255.907 -51.9346 GPRESSURE: 2031600 270.831 84.5523 -47.7904 151.995 212.843 -163.789 -159.947 -141.926 40.6698 PRESSAVG: 2031600 -2.37259 4.27251 -40.7356 4.27255 -14.7901 -21.8686 -40.7355 -21.8686 0.159178 GPRESSAVG: 2031600 -4.13059 5.35011 -40.6716 2.39217 -14.1676 -21.9943 -39.0059 -22.2101 1.4549 TIMING: 2031600 CPU: 6347.89, 0.00312427/step Wall: 6347.89, 0.00312427/step, 2.57614 hours remaining, 233.539062 MB of memory in use. ENERGY: 2031600 4020.7846 20502.8402 14534.7427 250.2825 -203294.7774 2852.2726 0.0000 0.0000 52137.0060 -108996.8489 299.6321 -161133.8549 -108629.0232 299.1659 144.1573 174.7812 761898.2336 -5.6678 -5.6144 PRESSURE: 2031800 -193.69 -165.11 -80.4153 -165.11 -547.397 44.6447 -80.4151 44.6451 -484.139 GPRESSURE: 2031800 -253.989 -20.7 -114.693 -51.3829 -354.705 43.1002 49.5822 92.9626 -503.09 PRESSAVG: 2031800 -12.4968 -82.2396 -26.7682 -82.2396 14.9262 29.4945 -26.7682 29.4946 6.04581 GPRESSAVG: 2031800 -11.1975 -82.2595 -24.573 -79.6883 14.2699 30.7429 -29.1744 30.4009 5.01122 TIMING: 2031800 CPU: 6348.51, 0.00311031/step Wall: 6348.51, 0.00311031/step, 2.56445 hours remaining, 233.539062 MB of memory in use. ENERGY: 2031800 4036.5993 20593.8074 14437.6401 250.0431 -203043.4596 2662.1954 0.0000 0.0000 52331.1983 -108731.9758 300.7481 -161063.1741 -108374.0249 299.9854 -408.4088 -370.5946 762033.2850 2.8251 2.6945 PRESSURE: 2032000 44.2572 -154.316 41.3935 -154.316 -103.019 -63.8534 41.3934 -63.8533 116.365 GPRESSURE: 2032000 48.4174 -142.601 79.3553 -172.781 -114.052 2.85847 7.62878 -161.783 200.601 PRESSAVG: 2032000 -23.0753 -43.5976 17.2344 -43.5975 -10.9926 -24.3523 17.2343 -24.3522 0.538872 GPRESSAVG: 2032000 -23.5251 -45.3016 16.7305 -42.9609 -11.1826 -25.0659 18.9096 -24.6843 1.11144 TIMING: 2032000 CPU: 6349.14, 0.00313648/step Wall: 6349.14, 0.00313647/step, 2.58585 hours remaining, 233.539062 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: 2032000 4070.8730 20513.9154 14397.9369 264.2533 -203020.1170 2881.8004 0.0000 0.0000 52156.7905 -108734.5475 299.7458 -160891.3380 -108389.3600 300.7257 19.2009 44.9887 761955.6279 -11.1763 -11.1987 PRESSURE: 2032200 -170.212 -353.592 -73.091 -353.592 65.919 35.0883 -73.0903 35.0891 301.363 GPRESSURE: 2032200 -62.6255 -448.449 -101.5 -460.38 47.3284 76.676 -42.353 101.519 299.151 PRESSAVG: 2032200 1.73121 -16.9679 85.7465 -16.9678 6.38725 13.9936 85.7465 13.9936 27.6291 GPRESSAVG: 2032200 1.17309 -15.5933 84.69 -18.4866 6.41498 13.1479 85.8135 14.4117 27.8219 TIMING: 2032200 CPU: 6349.77, 0.00314769/step Wall: 6349.77, 0.00314769/step, 2.59492 hours remaining, 233.539062 MB of memory in use. ENERGY: 2032200 4050.8874 20563.8441 14346.1735 236.8457 -203293.2699 2884.7956 0.0000 0.0000 52238.7247 -108971.9989 300.2167 -161210.7236 -108608.2508 300.3317 65.6899 94.6178 761798.4575 11.9158 11.8033 LDB: ============= START OF LOAD BALANCING ============== 6362.24 LDB: ============== END OF LOAD BALANCING =============== 6362.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6362.25 LDB: ============= START OF LOAD BALANCING ============== 6362.56 LDB: Largest compute 7007 load 0.031026 is 15.9% of average load 0.195081 LDB: Average compute 0.004405 is 2.3% of average load 0.195081 LDB: TIME 6362.56 LOAD: AVG 0.195081 MAX 0.218594 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.539 MB LDB: TIME 6362.56 LOAD: AVG 0.195081 MAX 0.218594 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.539 MB LDB: TIME 6362.56 LOAD: AVG 0.195081 MAX 0.21749 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.539 MB LDB: ============== END OF LOAD BALANCING =============== 6362.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6362.57 PRESSURE: 2032400 -198.967 -71.9464 -117.261 -71.9472 -64.0075 -83.7991 -117.262 -83.7989 -278.097 GPRESSURE: 2032400 -175.566 -66.4754 -173.469 -35.6141 -84.911 -31.4442 16.1636 -73.8406 -185.884 PRESSAVG: 2032400 5.0965 26.6829 -1.63411 26.6828 -29.4823 -53.482 -1.63412 -53.482 -16.2921 GPRESSAVG: 2032400 5.87211 25.4842 0.758106 26.5275 -29.6688 -52.2962 -2.93041 -54.14 -16.7282 TIMING: 2032400 CPU: 6350.41, 0.00319373/step Wall: 6350.41, 0.00319373/step, 2.6327 hours remaining, 233.539062 MB of memory in use. ENERGY: 2032400 3916.9322 20656.2928 14430.9018 263.6613 -202908.4408 2360.7310 0.0000 0.0000 52261.0660 -109018.8557 300.3451 -161279.9218 -108652.3391 299.6160 -180.3572 -148.7869 761650.8292 -13.5593 -13.5083 PRESSURE: 2032600 15.3615 -69.6892 -111.92 -69.6876 -162.778 79.997 -111.919 79.9973 9.60666 GPRESSURE: 2032600 41.7329 -9.29898 -96.2245 -8.80148 -86.9022 31.4968 -42.9039 -44.9974 -9.85227 PRESSAVG: 2032600 -36.8285 -0.674892 -7.97387 -0.674931 24.8963 1.24503 -7.97383 1.24508 -11.918 GPRESSAVG: 2032600 -36.6845 -0.371232 -10.3404 0.0723533 24.9413 -1.34577 -7.06425 1.94745 -12.4853 TIMING: 2032600 CPU: 6351.03, 0.00313386/step Wall: 6351.03, 0.00313386/step, 2.58317 hours remaining, 233.742188 MB of memory in use. ENERGY: 2032600 3860.6822 20567.4742 14379.9183 235.5924 -202871.3712 2308.9581 0.0000 0.0000 52392.7547 -109125.9913 301.1019 -161518.7460 -108755.3145 299.4621 -45.9367 -18.3405 761764.9243 -7.9501 -8.0762 PRESSURE: 2032800 -231.559 144.213 -97.4149 144.214 -203.696 170.716 -97.4146 170.715 56.7915 GPRESSURE: 2032800 -227.328 170.219 -144.377 125.588 -141.016 228.131 -38.5558 78.0949 64.6989 PRESSAVG: 2032800 -24.6247 4.96054 -0.458805 4.96063 -22.0269 -12.5443 -0.458767 -12.5444 -1.71869 GPRESSAVG: 2032800 -25.9906 6.52512 1.44108 3.37805 -21.8496 -12.4178 -1.60715 -12.8558 -0.439263 TIMING: 2032800 CPU: 6351.66, 0.00312032/step Wall: 6351.66, 0.00312032/step, 2.57183 hours remaining, 233.742188 MB of memory in use. ENERGY: 2032800 3899.1460 20509.4512 14411.0005 264.7954 -203007.6449 2534.9704 0.0000 0.0000 51958.9588 -109429.3226 298.6089 -161388.2814 -109070.6999 299.6870 -126.1546 -101.2151 763778.7028 -16.1234 -16.0931 PRESSURE: 2033000 -29.5662 75.7267 281.77 75.7264 -61.0047 -40.2047 281.77 -40.2054 15.716 GPRESSURE: 2033000 2.49808 -6.64149 225.39 22.8871 18.2548 -113.382 112.589 -70.0113 -0.961662 PRESSAVG: 2033000 37.463 -2.73993 47.6094 -2.73996 -37.9016 -9.10567 47.6094 -9.10566 7.2059 GPRESSAVG: 2033000 38.7941 -4.93148 48.3336 -1.95298 -37.8955 -8.14617 46.0876 -8.75713 5.38772 TIMING: 2033000 CPU: 6352.28, 0.00312391/step Wall: 6352.28, 0.00312391/step, 2.57462 hours remaining, 233.742188 MB of memory in use. ENERGY: 2033000 3938.3220 20409.2611 14369.7484 235.0169 -203348.5501 2592.1117 0.0000 0.0000 52199.5686 -109604.5215 299.9916 -161804.0901 -109243.2294 298.8325 -24.9516 6.5971 761087.0131 2.2558 2.0954 PRESSURE: 2033200 280.618 10.1056 28.1475 10.104 225.032 5.2166 28.1466 5.21617 -68.5908 GPRESSURE: 2033200 277.044 62.0062 55.4474 79.3956 291.074 -106.294 -106.536 -15.5953 -52.9487 PRESSAVG: 2033200 26.8624 48.9696 -31.5798 48.9696 -42.7736 -35.5034 -31.5797 -35.5035 12.9471 GPRESSAVG: 2033200 25.7761 50.8619 -33.2667 48.7285 -43.5456 -35.307 -31.0791 -36.1213 13.6843 TIMING: 2033200 CPU: 6352.9, 0.00311585/step Wall: 6352.9, 0.00311585/step, 2.5678 hours remaining, 233.742188 MB of memory in use. ENERGY: 2033200 3980.2403 20558.0335 14345.7381 263.8036 -203895.4379 3084.7583 0.0000 0.0000 52124.8840 -109537.9802 299.5624 -161662.8642 -109181.7766 298.4101 145.6864 171.7232 762835.7723 -0.9880 -1.3617 PRESSURE: 2033400 57.7892 100.196 -169.732 100.196 241.665 -164.657 -169.731 -164.657 -12.0509 GPRESSURE: 2033400 78.9951 139.71 -216.837 61.7406 284.692 -111.146 -39.8275 -288.75 16.8117 PRESSAVG: 2033400 16.5375 45.1183 48.7336 45.1183 -22.859 -39.0961 48.7336 -39.0961 4.1648 GPRESSAVG: 2033400 17.0291 44.7968 48.8757 44.1498 -23.0488 -38.1568 50.8091 -39.5582 4.07731 TIMING: 2033400 CPU: 6353.53, 0.00311045/step Wall: 6353.53, 0.00311045/step, 2.56318 hours remaining, 233.742188 MB of memory in use. ENERGY: 2033400 3981.0821 20554.5775 14415.0370 236.4010 -203435.1480 2930.6365 0.0000 0.0000 51927.4268 -109389.9871 298.4276 -161317.4139 -109033.7686 299.0191 95.8012 126.8331 761105.1935 -0.7189 -0.6475 PRESSURE: 2033600 -27.8956 -129.484 189.361 -129.485 -328.511 -155.687 189.361 -155.687 -95.9585 GPRESSURE: 2033600 54.2523 -78.8853 167.558 -49.5618 -322.825 -157.783 162.482 -200.245 -117.646 PRESSAVG: 2033600 -12.9822 61.3636 40.2522 61.3636 37.2707 -54.3664 40.2522 -54.3664 -1.10299 GPRESSAVG: 2033600 -13.2533 61.1553 38.7198 62.4207 36.6491 -54.8684 39.7278 -54.3817 -0.608013 TIMING: 2033600 CPU: 6354.16, 0.00315484/step Wall: 6354.16, 0.00315484/step, 2.59958 hours remaining, 233.742188 MB of memory in use. ENERGY: 2033600 4069.6899 20433.7908 14391.6762 245.1551 -203164.8816 2569.2579 0.0000 0.0000 51959.6449 -109495.6668 298.6128 -161455.3117 -109140.6834 298.8937 -150.7884 -128.7396 760979.2237 7.7285 7.5959 PRESSURE: 2033800 4.00775 -82.6089 -50.2986 -82.6089 -115.501 -239.688 -50.2996 -239.688 -244.617 GPRESSURE: 2033800 59.6757 -102.522 -14.0322 -81.8482 -188.335 -182.174 54.0047 -362.238 -142.759 PRESSAVG: 2033800 -26.6829 3.12817 70.4805 3.12821 59.8326 -55.8313 70.4805 -55.8313 -1.82228 GPRESSAVG: 2033800 -26.4327 3.46335 71.0353 1.83721 60.5848 -55.6173 72.5199 -57.3314 -2.482 TIMING: 2033800 CPU: 6354.79, 0.00315201/step Wall: 6354.79, 0.00315201/step, 2.59708 hours remaining, 233.742188 MB of memory in use. ENERGY: 2033800 4017.9853 20272.0581 14501.1542 233.8112 -203233.8503 2662.4323 0.0000 0.0000 51987.4869 -109558.9223 298.7728 -161546.4092 -109201.0851 298.5226 -118.7036 -90.4727 762217.8702 10.4425 10.5567 PRESSURE: 2034000 133.134 70.6419 317.681 70.6423 -576.329 -17.8531 317.68 -17.8524 205.635 GPRESSURE: 2034000 139.935 -6.188 320.225 8.11244 -424.135 -129.035 246.688 125.223 131.18 PRESSAVG: 2034000 7.70404 -10.9063 35.2873 -10.9063 14.7095 -54.6246 35.2873 -54.6247 12.5657 GPRESSAVG: 2034000 8.16216 -13.1613 36.3124 -10.6494 14.7991 -54.644 33.0206 -53.445 12.2048 TIMING: 2034000 CPU: 6355.42, 0.00315901/step Wall: 6355.42, 0.00315901/step, 2.60267 hours remaining, 233.742188 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: 2034000 3978.4095 20456.5053 14468.2834 272.0393 -203381.0710 2923.9950 0.0000 0.0000 51876.8500 -109404.9885 298.1370 -161281.8385 -109029.4723 298.7347 -79.1870 -51.0065 762075.5246 11.6598 11.7220 PRESSURE: 2034200 61.6033 -159.301 14.1004 -159.301 29.4172 -82.5035 14.1012 -82.5038 20.8289 GPRESSURE: 2034200 96.2644 -78.8187 -22.6029 -24.1223 10.2463 -163.736 65.3142 47.0276 98.072 PRESSAVG: 2034200 -57.3473 -35.4351 6.75183 -35.4352 13.6958 -0.173481 6.75175 -0.173432 -16.5608 GPRESSAVG: 2034200 -56.4776 -33.6758 6.87873 -35.6548 12.8743 -3.17325 6.00492 2.21523 -16.2848 TIMING: 2034200 CPU: 6356.05, 0.00316637/step Wall: 6356.05, 0.00316637/step, 2.60856 hours remaining, 233.742188 MB of memory in use. ENERGY: 2034200 3989.3767 20328.0632 14483.8810 239.8500 -203202.1895 2922.5517 0.0000 0.0000 51933.7782 -109304.6887 298.4641 -161238.4668 -108938.3767 298.9717 37.2831 68.1942 761716.5542 -20.0708 -19.9627 PRESSURE: 2034400 232.674 128.789 159.052 128.789 234.876 -128.528 159.052 -128.529 221.29 GPRESSURE: 2034400 246.523 101.249 212.343 157.93 322.066 -104.88 72.3243 -157.788 207.583 PRESSAVG: 2034400 37.6023 -41.5857 25.2852 -41.5858 -24.0467 -36.6017 25.2852 -36.6017 17.1931 GPRESSAVG: 2034400 35.9759 -42.0787 23.6 -41.0418 -22.7336 -33.4997 28.4642 -37.5249 17.8046 TIMING: 2034400 CPU: 6356.68, 0.00313684/step Wall: 6356.68, 0.00313684/step, 2.58406 hours remaining, 233.742188 MB of memory in use. ENERGY: 2034400 3974.2194 20493.8624 14429.6406 265.1233 -203163.7272 2600.5355 0.0000 0.0000 52083.8063 -109316.5398 299.3264 -161400.3461 -108951.4560 298.5390 229.6135 258.7241 761112.7526 10.2496 10.3490 PRESSURE: 2034600 -13.0829 -64.584 -72.6344 -64.5851 150.37 -238.227 -72.6333 -238.227 33.1217 GPRESSURE: 2034600 -54.832 -85.4008 -46.529 -48.5683 242.76 -274.191 -62.8882 -349.869 74.0962 PRESSAVG: 2034600 -61.9658 37.5749 15.7984 37.5749 29.5614 -9.26826 15.7984 -9.26825 -11.5126 GPRESSAVG: 2034600 -61.0558 34.627 17.8266 38.9053 29.1379 -11.3323 13.4896 -8.39909 -12.1717 TIMING: 2034600 CPU: 6357.3, 0.00312286/step Wall: 6357.3, 0.00312286/step, 2.57237 hours remaining, 233.742188 MB of memory in use. ENERGY: 2034600 3947.0836 20604.6562 14398.3450 242.3123 -203060.9207 2801.9987 0.0000 0.0000 51989.4450 -109077.0799 298.7841 -161066.5248 -108719.3747 299.1351 56.8029 87.3413 761615.7787 -14.6390 -14.6965 PRESSURE: 2034800 86.7046 146.869 177.043 146.869 -143.234 -68.3022 177.043 -68.3031 -230.01 GPRESSURE: 2034800 87.7421 99.5662 210.031 115.226 -57.0709 25.2385 13.637 47.6898 -218.467 PRESSAVG: 2034800 -15.4823 -23.5039 -4.24353 -23.5039 8.41856 -29.3409 -4.2435 -29.3409 20.1148 GPRESSAVG: 2034800 -16.2964 -20.8206 -5.06555 -26.2497 8.77521 -28.1196 -2.18371 -32.1268 20.4731 TIMING: 2034800 CPU: 6357.93, 0.00311273/step Wall: 6357.93, 0.00311273/step, 2.56385 hours remaining, 233.742188 MB of memory in use. ENERGY: 2034800 4033.7600 20423.8588 14392.9386 249.5817 -203007.7395 2593.0630 0.0000 0.0000 52174.3283 -109140.2091 299.8466 -161314.5374 -108777.7229 299.4561 -95.5132 -62.5986 762840.1343 4.3503 4.3173 PRESSURE: 2035000 189.51 -425.311 312.256 -425.311 3.61251 37.0199 312.257 37.0194 -236.466 GPRESSURE: 2035000 231.466 -279.257 198.001 -420.111 -67.0373 38.2928 228.011 62.9474 -118.756 PRESSAVG: 2035000 39.5068 2.26094 18.3968 2.26097 -2.82744 1.39532 18.3968 1.39536 -16.1948 GPRESSAVG: 2035000 39.7792 2.23865 18.4859 2.98672 -3.48466 3.22166 15.6179 2.00628 -15.9753 TIMING: 2035000 CPU: 6358.55, 0.00312162/step Wall: 6358.55, 0.00312162/step, 2.571 hours remaining, 233.742188 MB of memory in use. ENERGY: 2035000 4012.1065 20612.7669 14406.3476 255.9074 -202935.2033 2452.6300 0.0000 0.0000 52118.9903 -109076.4544 299.5286 -161195.4447 -108726.5686 299.4518 -14.4479 15.2241 762304.1070 6.8282 6.7731 PRESSURE: 2035200 86.3848 131.773 12.7507 131.773 -0.242273 120.8 12.7511 120.801 7.30732 GPRESSURE: 2035200 49.1794 22.2526 -60.8336 78.2241 78.3683 150.949 69.8573 100.966 54.9048 PRESSAVG: 2035200 33.2552 34.1273 8.42375 34.1273 -13.0023 -23.6646 8.42378 -23.6645 -6.32537 GPRESSAVG: 2035200 33.8319 31.8884 7.65123 33.2982 -13.4503 -25.3717 8.29011 -23.2447 -6.70494 TIMING: 2035200 CPU: 6359.17, 0.00311156/step Wall: 6359.17, 0.00311156/step, 2.56254 hours remaining, 233.742188 MB of memory in use. ENERGY: 2035200 3979.5044 20734.8228 14471.8794 248.8674 -203430.1373 2855.8292 0.0000 0.0000 52130.4095 -109008.8245 299.5942 -161139.2341 -108647.0675 299.8754 31.1499 60.8175 763252.6513 4.6425 4.5589 PRESSURE: 2035400 84.6815 -17.4797 -163.415 -17.4796 -132.701 14.3038 -163.416 14.3049 -175.838 GPRESSURE: 2035400 161.754 82.9697 -164.77 14.2968 -131.003 53.9326 -36.3114 -50.3254 -165.13 PRESSAVG: 2035400 30.2742 -45.201 -11.27 -45.201 -36.2239 4.487 -11.27 4.48703 3.56584 GPRESSAVG: 2035400 31.3033 -43.9497 -11.434 -43.4047 -35.6399 5.5432 -9.23627 3.44467 2.27654 TIMING: 2035400 CPU: 6359.8, 0.00312731/step Wall: 6359.8, 0.00312731/step, 2.57534 hours remaining, 233.742188 MB of memory in use. ENERGY: 2035400 4061.2898 20656.2812 14415.8597 228.7387 -202868.0827 2548.4370 0.0000 0.0000 51902.1393 -109055.3372 298.2823 -160957.4765 -108697.4579 300.1694 -74.6192 -44.7933 764101.3466 -0.7946 -0.6867 PRESSURE: 2035600 -100.82 -80.0025 -2.29519 -80.0036 0.237496 -193.802 -2.29478 -193.801 280.212 GPRESSURE: 2035600 23.1573 -89.4828 37.1135 -130.224 -86.6067 -224.768 85.9269 -181.341 327.929 PRESSAVG: 2035600 24.3847 -31.6588 26.894 -31.6588 -18.2333 -1.42335 26.894 -1.42333 8.0434 GPRESSAVG: 2035600 22.3744 -31.2574 26.4895 -32.4813 -18.2777 -0.868696 25.7012 -1.11557 9.64557 TIMING: 2035600 CPU: 6360.42, 0.0031224/step Wall: 6360.42, 0.0031224/step, 2.57113 hours remaining, 233.742188 MB of memory in use. ENERGY: 2035600 4124.1934 20628.3256 14445.9391 236.8047 -203728.0065 2917.7905 0.0000 0.0000 52071.3788 -109303.5744 299.2549 -161374.9532 -108948.0570 299.1461 59.8764 88.1598 762183.9373 4.7316 4.5807 PRESSURE: 2035800 364.139 -127.51 -363.029 -127.51 -148.323 23.7025 -363.03 23.7011 151.504 GPRESSURE: 2035800 283.999 -196.554 -435.08 -118.068 -4.64358 23.8003 -166.504 -92.3327 185.34 PRESSAVG: 2035800 -21.4585 -51.1784 -11.7782 -51.1784 61.6929 -26.5707 -11.7782 -26.5706 1.27534 GPRESSAVG: 2035800 -21.3373 -49.782 -10.176 -52.0039 61.4171 -27.3405 -12.0176 -24.5748 1.15741 TIMING: 2035800 CPU: 6361.05, 0.0031483/step Wall: 6361.05, 0.0031483/step, 2.59228 hours remaining, 233.742188 MB of memory in use. ENERGY: 2035800 4038.3391 20416.6428 14393.4221 242.2540 -203371.5958 2733.6946 0.0000 0.0000 52065.1858 -109482.0574 299.2193 -161547.2432 -109119.5361 299.0906 122.4401 154.8986 760506.2068 13.8365 13.7457 PRESSURE: 2036000 -139.624 -257.136 193.686 -257.136 -233.303 19.5102 193.686 19.5111 -69.5753 GPRESSURE: 2036000 -74.3322 -312.816 217.926 -368.355 -216.075 68.2743 155.677 69.6724 -51.1835 PRESSAVG: 2036000 -5.8216 -92.0555 6.34556 -92.0556 31.5621 -20.1283 6.34551 -20.1283 17.415 GPRESSAVG: 2036000 -5.61231 -94.8703 6.03279 -91.3235 31.2526 -20.1471 6.9434 -21.009 17.6503 TIMING: 2036000 CPU: 6361.69, 0.00318476/step Wall: 6361.69, 0.00318476/step, 2.62212 hours remaining, 233.742188 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: 2036000 4014.4459 20617.3530 14414.2588 229.2704 -203482.4938 2917.5418 0.0000 0.0000 51992.1676 -109297.4564 298.7997 -161289.6239 -108930.9044 299.5784 -147.5007 -113.8636 762550.3186 14.3852 14.4302 PRESSURE: 2036200 182.485 96.2975 131.811 96.2971 192.428 -8.41518 131.811 -8.41503 95.7824 GPRESSURE: 2036200 238.712 172.053 174.8 125.172 147.107 49.0237 101.069 -112.529 150.382 PRESSAVG: 2036200 -23.2979 -32.4617 23.1946 -32.4617 2.33607 -35.5824 23.1945 -35.5825 -5.28963 GPRESSAVG: 2036200 -23.2519 -32.8214 25.1103 -30.9287 3.63351 -35.7906 20.5121 -35.0462 -6.5514 TIMING: 2036200 CPU: 6362.32, 0.00313731/step Wall: 6362.32, 0.00313731/step, 2.58288 hours remaining, 233.742188 MB of memory in use. ENERGY: 2036200 4003.6240 20394.3270 14457.1253 241.0991 -203684.1005 2939.9142 0.0000 0.0000 52271.8077 -109376.2032 300.4068 -161648.0109 -109009.7405 298.8822 156.8985 178.7338 762893.2534 -8.7505 -8.7233 LDB: ============= START OF LOAD BALANCING ============== 6374.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6374.8 LDB: =============== DONE WITH MIGRATION ================ 6374.8 LDB: ============= START OF LOAD BALANCING ============== 6375.11 LDB: Largest compute 7007 load 0.030234 is 15.5% of average load 0.195135 LDB: Average compute 0.004420 is 2.3% of average load 0.195135 LDB: TIME 6375.11 LOAD: AVG 0.195135 MAX 0.217887 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.742 MB LDB: TIME 6375.11 LOAD: AVG 0.195135 MAX 0.217887 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.949 MB LDB: TIME 6375.11 LOAD: AVG 0.195135 MAX 0.21778 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.949 MB LDB: ============== END OF LOAD BALANCING =============== 6375.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6375.12 PRESSURE: 2036400 -131.096 85.2886 -10.1976 85.2887 -187.862 -90.9571 -10.1971 -90.9567 -388.816 GPRESSURE: 2036400 -113.634 128.641 -87.9703 42.0276 -142.93 -138.436 9.27172 -154.361 -356.12 PRESSAVG: 2036400 -40.521 -12.8239 25.9511 -12.8239 65.6839 -53.5161 25.9512 -53.5162 -4.28424 GPRESSAVG: 2036400 -41.0102 -12.5386 24.3393 -13.1062 65.7417 -54.0477 27.9542 -53.859 -3.99709 TIMING: 2036400 CPU: 6362.95, 0.00317661/step Wall: 6362.95, 0.00317661/step, 2.61506 hours remaining, 234.253906 MB of memory in use. ENERGY: 2036400 4001.9237 20518.3001 14363.2956 261.9377 -203159.7539 2698.4784 0.0000 0.0000 51960.4325 -109355.3860 298.6173 -161315.8186 -109004.6635 299.5433 -235.9249 -204.2280 763176.8097 6.9595 6.9115 PRESSURE: 2036600 163.852 68.9675 -193.955 68.9669 507.977 -252.708 -193.955 -252.708 146.195 GPRESSURE: 2036600 291.91 79.9761 -253.479 48.7647 414.629 -246.284 -68.6541 -252.984 190.341 PRESSAVG: 2036600 -12.8082 -0.521739 -29.9743 -0.521745 26.2465 -105.486 -29.9743 -105.485 26.859 GPRESSAVG: 2036600 -12.3266 -0.247716 -29.5572 -1.00905 25.1786 -105.174 -31.1772 -106.913 27.7556 TIMING: 2036600 CPU: 6363.58, 0.00312664/step Wall: 6363.58, 0.00312664/step, 2.57375 hours remaining, 234.453125 MB of memory in use. ENERGY: 2036600 3908.4530 20560.5314 14361.8690 232.9092 -203496.5500 3005.0391 0.0000 0.0000 52084.8048 -109342.9435 299.3321 -161427.7483 -108987.0150 299.5939 272.6745 298.9601 760744.9617 13.4324 13.5359 PRESSURE: 2036800 -82.5887 -192.432 77.4965 -192.432 38.6997 -217.508 77.497 -217.508 -253.14 GPRESSURE: 2036800 -109.812 -90.4009 112.547 -93.3006 133.365 -153.897 -7.64074 -279.098 -235.925 PRESSAVG: 2036800 -15.4925 14.3149 -27.9658 14.3148 31.4495 -26.8919 -27.9657 -26.892 7.92011 GPRESSAVG: 2036800 -15.8424 16.4018 -27.4753 13.99 32.54 -27.5044 -28.6724 -24.2988 6.90019 TIMING: 2036800 CPU: 6364.2, 0.00310753/step Wall: 6364.2, 0.00310753/step, 2.55784 hours remaining, 234.453125 MB of memory in use. ENERGY: 2036800 4036.6632 20484.4945 14330.6328 242.0810 -203283.5865 2815.0892 0.0000 0.0000 52144.5884 -109230.0376 299.6757 -161374.6259 -108866.5653 299.1395 -99.0098 -70.7908 762462.7084 7.9590 7.8659 PRESSURE: 2037000 -40.4615 12.8404 -60.191 12.8392 210.242 -5.41406 -60.1906 -5.41364 455.506 GPRESSURE: 2037000 13.1136 54.9751 -81.4978 -107.664 163.458 66.7407 -58.5348 50.5556 524.102 PRESSAVG: 2037000 -50.304 -48.434 -6.65063 -48.4341 46.7427 -41.6185 -6.65064 -41.6184 -9.89776 GPRESSAVG: 2037000 -50.1354 -48.6085 -7.53387 -51.3511 45.6395 -41.0543 -5.09727 -41.5861 -9.06665 TIMING: 2037000 CPU: 6364.82, 0.00308917/step Wall: 6364.82, 0.00308917/step, 2.54256 hours remaining, 234.453125 MB of memory in use. ENERGY: 2037000 4006.9156 20515.6287 14423.7808 238.2932 -203629.5010 2982.8550 0.0000 0.0000 52263.1848 -109198.8430 300.3572 -161462.0278 -108831.2222 299.5495 208.4291 233.5578 762722.6566 -4.4863 -4.5208 PRESSURE: 2037200 -38.5086 -137.413 -71.617 -137.413 5.77791 238.873 -71.6168 238.874 59.8545 GPRESSURE: 2037200 31.8972 -87.065 -16.5012 -130.378 -23.8717 163.841 -149.55 85.5849 85.0708 PRESSAVG: 2037200 -16.618 -65.1075 54.8455 -65.1075 42.1526 -34.1348 54.8455 -34.1348 -13.7708 GPRESSAVG: 2037200 -16.3938 -67.4911 54.6832 -60.9151 43.3962 -35.3676 54.9194 -36.6534 -14.8745 TIMING: 2037200 CPU: 6365.44, 0.00311183/step Wall: 6365.44, 0.00311183/step, 2.56103 hours remaining, 234.453125 MB of memory in use. ENERGY: 2037200 4047.3510 20504.5253 14458.0786 256.2554 -203306.1279 2883.3156 0.0000 0.0000 52014.1880 -109142.4142 298.9263 -161156.6022 -108782.2800 299.8485 9.0413 31.0321 763524.2305 3.9213 4.0426 PRESSURE: 2037400 69.5404 -58.9348 46.8745 -58.9339 263.408 8.03906 46.8758 8.03931 -229.551 GPRESSURE: 2037400 216.403 -221.276 125.854 -85.2449 165.247 -26.8791 83.98 51.3458 -200.774 PRESSAVG: 2037400 -40.6105 -86.5208 37.6699 -86.5209 23.0643 -46.8553 37.6699 -46.8552 -8.09647 GPRESSAVG: 2037400 -40.8134 -86.1259 36.8631 -90.5457 23.3707 -46.338 36.459 -44.6801 -7.81428 TIMING: 2037400 CPU: 6366.06, 0.0031176/step Wall: 6366.06, 0.0031176/step, 2.56561 hours remaining, 234.453125 MB of memory in use. ENERGY: 2037400 3947.8628 20731.8628 14426.6345 269.1704 -203543.3967 3036.6616 0.0000 0.0000 51948.8815 -109182.3230 298.5509 -161131.2045 -108822.0919 299.7949 34.4658 60.2922 763574.6400 -8.5476 -8.4190 PRESSURE: 2037600 64.0227 70.3033 -133.851 70.3036 24.2415 75.7146 -133.85 75.7152 350.311 GPRESSURE: 2037600 120.19 -70.7711 -191.154 54.6506 66.8788 34.4528 60.3226 68.1457 323.192 PRESSAVG: 2037600 -43.6371 -9.67956 13.9369 -9.67956 37.6674 31.262 13.9369 31.262 -15.0434 GPRESSAVG: 2037600 -42.6793 -10.253 13.4473 -7.1961 36.4365 32.3871 15.5651 29.1567 -14.8159 TIMING: 2037600 CPU: 6366.69, 0.00310901/step Wall: 6366.69, 0.00310901/step, 2.55837 hours remaining, 234.453125 MB of memory in use. ENERGY: 2037600 4014.7533 20570.6434 14325.3673 245.7546 -203656.4370 3124.8149 0.0000 0.0000 52361.0155 -109014.0880 300.9195 -161375.1034 -108651.7941 299.7454 146.1919 170.0870 764774.0658 -7.0044 -7.0195 PRESSURE: 2037800 36.9904 -148.317 125.165 -148.316 -183.857 -11.1613 125.165 -11.1599 -51.5 GPRESSURE: 2037800 62.0296 -62.6489 171.302 -209.723 -150.187 -9.35721 138.099 6.14401 -24.4398 PRESSAVG: 2037800 -13.3013 16.2671 72.7802 16.2671 -6.37914 -22.2504 72.7802 -22.2505 -11.0937 GPRESSAVG: 2037800 -14.085 17.8977 73.3228 14.5128 -5.08974 -22.2194 73.6461 -22.7737 -11.4635 TIMING: 2037800 CPU: 6367.31, 0.00311069/step Wall: 6367.31, 0.00311069/step, 2.55958 hours remaining, 234.453125 MB of memory in use. ENERGY: 2037800 3986.5170 20546.8202 14330.7713 229.1045 -203097.8991 2767.3854 0.0000 0.0000 52221.8617 -109015.4390 300.1198 -161237.3007 -108646.2587 299.9612 -66.1222 -37.5324 764966.1053 -10.2580 -10.2127 PRESSURE: 2038000 -286.167 240.252 232.185 240.252 -61.0438 156.831 232.186 156.832 -425.781 GPRESSURE: 2038000 -200.147 370.805 293.225 91.1498 -74.0904 73.4492 250.087 85.1484 -408.332 PRESSAVG: 2038000 30.0677 21.1085 32.9159 21.1085 -24.3078 -53.9155 32.9159 -53.9154 -8.86635 GPRESSAVG: 2038000 29.857 20.7629 32.9821 21.8923 -24.6644 -54.5281 32.0617 -50.6814 -8.09953 TIMING: 2038000 CPU: 6367.93, 0.00313468/step Wall: 6367.93, 0.00313468/step, 2.57915 hours remaining, 234.453125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2038000 3976.1444 20530.0565 14435.9474 241.2613 -202628.2392 2340.4259 0.0000 0.0000 52090.3919 -109014.0117 299.3642 -161104.4037 -108637.7590 300.1314 -257.6640 -227.5232 763359.3065 -1.0355 -0.9690 PRESSURE: 2038200 311.336 -91.018 72.5905 -91.0176 54.1412 17.0459 72.5909 17.0458 538.604 GPRESSURE: 2038200 353.474 -141.773 152.766 -12.1257 106.945 -16.371 -148.937 87.9149 505.096 PRESSAVG: 2038200 -14.9243 22.2055 41.9767 22.2055 -10.1431 10.381 41.9767 10.381 -15.6215 GPRESSAVG: 2038200 -12.9036 21.1893 42.4577 23.653 -11.0611 10.4576 41.882 10.3627 -16.6262 TIMING: 2038200 CPU: 6368.56, 0.00311008/step Wall: 6368.56, 0.00311008/step, 2.55873 hours remaining, 234.453125 MB of memory in use. ENERGY: 2038200 3991.8388 20493.1232 14439.0562 255.5227 -203171.8299 2988.5317 0.0000 0.0000 52239.1741 -108764.5832 300.2193 -161003.7573 -108394.5469 300.1444 301.3603 321.8382 762282.4683 -13.5630 -13.5303 PRESSURE: 2038400 85.5206 131.134 -190.304 131.135 -71.6983 9.31381 -190.303 9.31376 56.685 GPRESSURE: 2038400 224.348 73.9446 -133.509 -18.1114 -93.87 26.841 -193.533 8.66115 36.0152 PRESSAVG: 2038400 -27.7955 33.5549 -16.1445 33.5549 7.32046 30.1263 -16.1445 30.1264 -5.54948 GPRESSAVG: 2038400 -29.7091 33.0379 -15.342 31.1734 8.52601 29.8307 -17.1236 26.9308 -4.84382 TIMING: 2038400 CPU: 6369.18, 0.00311224/step Wall: 6369.18, 0.00311224/step, 2.56034 hours remaining, 234.453125 MB of memory in use. ENERGY: 2038400 3929.9378 20635.7211 14412.2728 254.8007 -202854.2458 2609.1836 0.0000 0.0000 52087.0203 -108925.3095 299.3448 -161012.3298 -108564.6828 300.3483 23.5024 55.4978 764053.4458 -8.6748 -8.6756 PRESSURE: 2038600 208.044 -186.675 217.96 -186.675 -71.7638 -33.4354 217.96 -33.4362 20.707 GPRESSURE: 2038600 255.257 -73.4532 322.134 -203.056 -22.5325 48.9431 168.546 -95.5804 0.446048 PRESSAVG: 2038600 1.247 27.6078 -24.2773 27.6078 -13.7061 -7.93575 -24.2772 -7.93573 8.48014 GPRESSAVG: 2038600 1.98851 28.0642 -24.6341 27.5947 -14.7278 -6.86812 -22.1514 -5.50921 8.49748 TIMING: 2038600 CPU: 6369.8, 0.0030977/step Wall: 6369.8, 0.0030977/step, 2.5482 hours remaining, 234.453125 MB of memory in use. ENERGY: 2038600 3932.8020 20504.5168 14308.6830 248.0214 -203082.5504 2816.4800 0.0000 0.0000 52222.3479 -109049.6993 300.1226 -161272.0472 -108687.7563 300.1540 52.3292 77.7235 762420.5605 -1.3263 -1.4139 PRESSURE: 2038800 130.305 -195.263 7.42311 -195.264 95.4575 -93.6492 7.4222 -93.6494 138.623 GPRESSURE: 2038800 158.438 -152.933 -51.4658 -154.26 122.23 4.94401 162.836 24.309 151.619 PRESSAVG: 2038800 33.1132 7.85315 3.39638 7.85312 24.9509 -23.8011 3.39634 -23.8011 10.934 GPRESSAVG: 2038800 34.1682 9.29844 2.08897 9.364 25.1404 -24.7496 3.70764 -25.4424 9.84897 TIMING: 2038800 CPU: 6370.42, 0.003098/step Wall: 6370.42, 0.003098/step, 2.54828 hours remaining, 234.453125 MB of memory in use. ENERGY: 2038800 3944.8272 20442.0540 14331.9616 248.7764 -203202.0061 2809.7790 0.0000 0.0000 52098.2416 -109326.3664 299.4093 -161424.6080 -108955.5235 299.3675 121.4617 144.0957 761828.4030 22.9994 23.0525 PRESSURE: 2039000 214.681 169.6 221.975 169.601 -118.095 -37.7869 221.976 -37.7866 260.806 GPRESSURE: 2039000 288.406 205.919 216.903 226.334 -84.6113 51.8845 187.258 37.5131 238.392 PRESSAVG: 2039000 -39.9782 66.5183 3.88936 66.5183 62.3176 -48.5505 3.88935 -48.5505 -6.61376 GPRESSAVG: 2039000 -40.6395 66.9882 4.32094 66.6642 62.0372 -48.021 1.12603 -47.2809 -5.91822 TIMING: 2039000 CPU: 6371.04, 0.00311188/step Wall: 6371.04, 0.00311188/step, 2.55952 hours remaining, 234.453125 MB of memory in use. ENERGY: 2039000 3983.3419 20478.4292 14419.8399 240.4808 -203160.7684 2694.6116 0.0000 0.0000 52013.9353 -109330.1299 298.9248 -161344.0652 -108971.6487 299.5514 119.1305 147.3955 762702.8046 5.2419 5.1598 PRESSURE: 2039200 456.737 126.742 -94.8554 126.742 -235.208 -48.7276 -94.8558 -48.7278 -6.2352 GPRESSURE: 2039200 328.103 -28.4248 -164.974 277.912 -73.3189 -68.7321 43.4345 -135.514 29.0748 PRESSAVG: 2039200 13.7146 42.9297 9.83982 42.9296 -23.2241 -51.7644 9.83983 -51.7644 -2.15832 GPRESSAVG: 2039200 12.483 40.587 10.3436 41.9253 -23.1767 -49.9395 12.7891 -54.1042 -1.5679 TIMING: 2039200 CPU: 6371.66, 0.00311282/step Wall: 6371.66, 0.00311282/step, 2.56012 hours remaining, 234.453125 MB of memory in use. ENERGY: 2039200 3972.5239 20554.7082 14390.3167 247.6827 -203290.1901 2690.7507 0.0000 0.0000 51882.0188 -109552.1890 298.1667 -161434.2079 -109183.8620 298.7702 71.7643 94.6197 762639.9364 -3.8893 -4.0872 PRESSURE: 2039400 -132.067 25.3697 126.433 25.3691 96.7181 -36.3531 126.433 -36.3527 51.9947 GPRESSURE: 2039400 -40.9733 44.231 168.958 92.0546 86.8942 -48.5321 51.705 -78.9855 44.7437 PRESSAVG: 2039400 -39.7283 53.3007 -0.463819 53.3007 49.5138 -33.8599 -0.463822 -33.8599 10.1389 GPRESSAVG: 2039400 -39.92 53.0024 -1.39658 53.0174 50.3937 -35.3051 -3.19628 -33.6134 9.85156 TIMING: 2039400 CPU: 6372.29, 0.00311672/step Wall: 6372.29, 0.00311672/step, 2.56316 hours remaining, 234.453125 MB of memory in use. ENERGY: 2039400 3984.3405 20492.5859 14351.3153 245.2444 -203681.4463 2876.1484 0.0000 0.0000 52069.3876 -109662.4243 299.2435 -161731.8119 -109295.5405 298.4693 5.5487 30.2215 762819.2634 6.6414 6.7751 PRESSURE: 2039600 -321.987 4.60545 -153.301 4.60606 -100.98 -63.888 -153.301 -63.8882 -578.767 GPRESSURE: 2039600 -331.902 51.7491 -170.531 20.0999 -26.1608 -44.2257 -140.896 -80.9081 -548.627 PRESSAVG: 2039600 -71.5816 4.48639 -0.14124 4.4864 69.3195 -34.3573 -0.141202 -34.3572 -9.36193 GPRESSAVG: 2039600 -71.9061 7.47525 0.602646 5.46706 69.919 -33.0249 2.58728 -34.1 -9.7252 TIMING: 2039600 CPU: 6372.91, 0.00312898/step Wall: 6372.91, 0.00312898/step, 2.57306 hours remaining, 234.453125 MB of memory in use. ENERGY: 2039600 4049.3463 20561.4067 14280.8186 254.8433 -203346.5726 2784.9493 0.0000 0.0000 52041.0011 -109374.2071 299.0803 -161415.2082 -109022.4645 298.6437 -333.9115 -302.2301 763052.9682 -3.8747 -3.9041 PRESSURE: 2039800 110.889 56.5236 -88.1741 56.5244 -258.709 71.5367 -88.1741 71.5377 -60.129 GPRESSURE: 2039800 15.1478 103.229 -85.9546 27.3527 -34.7146 83.5939 -236.359 -100.694 -101.862 PRESSAVG: 2039800 17.7554 -12.1849 -22.6164 -12.1849 12.7772 28.3177 -22.6163 28.3177 -14.6181 GPRESSAVG: 2039800 17.1064 -13.6087 -22.591 -13.6722 14.0649 25.8766 -22.2237 28.5847 -14.6867 TIMING: 2039800 CPU: 6373.54, 0.00312062/step Wall: 6373.54, 0.00312062/step, 2.56601 hours remaining, 234.453125 MB of memory in use. ENERGY: 2039800 4005.2490 20477.7528 14441.9154 243.0828 -203440.1665 2805.8547 0.0000 0.0000 51957.0654 -109509.2463 298.5980 -161466.3117 -109150.9100 299.3473 -69.3166 -40.4762 760916.6749 5.3048 5.4949 PRESSURE: 2040000 147.553 282.088 -123.989 282.087 337.793 -120.714 -123.989 -120.713 34.342 GPRESSURE: 2040000 169.88 152.098 -52.5536 372.616 431.619 -105.861 -161.689 18.5724 -0.935318 PRESSAVG: 2040000 17.215 24.2427 13.2123 24.2427 25.1558 -16.1458 13.2123 -16.1458 32.3138 GPRESSAVG: 2040000 17.8224 24.6202 14.5582 24.9238 24.3294 -14.4541 12.2669 -15.2507 32.4922 TIMING: 2040000 CPU: 6374.16, 0.00310032/step Wall: 6374.16, 0.00310032/step, 2.54915 hours remaining, 234.453125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2040000 4068.4716 20442.5545 14424.2627 241.6029 -203802.1808 3149.4917 0.0000 0.0000 51944.5899 -109531.2076 298.5263 -161475.7974 -109165.1744 298.5988 173.2294 200.1881 760886.3028 24.8949 24.8813 PRESSURE: 2040200 -354.91 104.111 101.524 104.111 -137.213 -126.858 101.524 -126.859 117.573 GPRESSURE: 2040200 -210.257 61.6866 52.0126 151.277 -178.041 -103.702 154.409 -114.364 107.035 PRESSAVG: 2040200 -34.3048 37.4846 -23.9758 37.4845 13.4438 -48.8702 -23.9758 -48.8702 13.2962 GPRESSAVG: 2040200 -33.0795 36.651 -25.6395 36.991 12.1013 -48.1961 -23.6464 -50.8933 13.211 TIMING: 2040200 CPU: 6374.78, 0.00310273/step Wall: 6374.78, 0.00310273/step, 2.55096 hours remaining, 234.453125 MB of memory in use. ENERGY: 2040200 3940.3656 20413.0775 14409.7483 236.7024 -203509.6685 2781.1523 0.0000 0.0000 52102.9104 -109625.7121 299.4361 -161728.6224 -109253.4673 298.5141 -124.8501 -93.7541 762928.6786 -2.5216 -2.5890 LDB: ============= START OF LOAD BALANCING ============== 6387.25 LDB: ============== END OF LOAD BALANCING =============== 6387.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6387.26 LDB: ============= START OF LOAD BALANCING ============== 6387.57 LDB: Largest compute 7078 load 0.030710 is 15.7% of average load 0.195046 LDB: Average compute 0.004407 is 2.3% of average load 0.195046 LDB: TIME 6387.57 LOAD: AVG 0.195046 MAX 0.21833 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.281 MB LDB: TIME 6387.57 LOAD: AVG 0.195046 MAX 0.21833 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.297 MB LDB: TIME 6387.57 LOAD: AVG 0.195046 MAX 0.217521 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.297 MB LDB: ============== END OF LOAD BALANCING =============== 6387.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6387.58 PRESSURE: 2040400 -299.942 43.5213 11.038 43.5213 -111.025 25.1949 11.0386 25.1945 68.2136 GPRESSURE: 2040400 -288.156 127.177 61.9103 52.7338 -31.9124 40.774 6.37441 6.59166 60.795 PRESSAVG: 2040400 -9.99716 32.1231 26.159 32.1231 14.1125 -15.2671 26.1589 -15.2671 4.08633 GPRESSAVG: 2040400 -10.3314 32.1089 27.808 32.3453 14.5867 -15.4746 22.9102 -13.374 3.67579 TIMING: 2040400 CPU: 6375.41, 0.00316884/step Wall: 6375.41, 0.00316884/step, 2.60514 hours remaining, 234.765625 MB of memory in use. ENERGY: 2040400 4016.3718 20440.5970 14387.1522 238.2137 -203298.6739 2741.0940 0.0000 0.0000 51862.8976 -109612.3476 298.0568 -161475.2452 -109258.2489 298.0301 -114.2510 -86.4245 762022.1387 2.7339 2.6437 PRESSURE: 2040600 -406.016 -226.968 157.653 -226.967 -392.259 -108.337 157.653 -108.337 -49.3156 GPRESSURE: 2040600 -411.759 -158.615 106.784 -238.486 -332.261 -63.439 228.071 -31.4972 -12.0069 PRESSAVG: 2040600 -14.1503 -40.2366 24.8001 -40.2367 31.8809 19.5944 24.8001 19.5944 7.64922 GPRESSAVG: 2040600 -15.1888 -38.8425 23.7412 -40.6394 33.1624 18.7569 26.5526 20.2268 7.6545 TIMING: 2040600 CPU: 6376.04, 0.00313248/step Wall: 6376.04, 0.00313248/step, 2.57508 hours remaining, 234.964844 MB of memory in use. ENERGY: 2040600 4025.0382 20452.2532 14415.4212 253.6965 -203320.4851 2479.0260 0.0000 0.0000 52156.6268 -109538.4233 299.7449 -161695.0501 -109170.9448 299.0506 -282.5303 -252.0090 761665.8478 8.4599 8.5427 PRESSURE: 2040800 -65.7335 58.8769 -37.1134 58.8757 -157.81 161.019 -37.1136 161.018 -555.542 GPRESSURE: 2040800 -1.34246 1.79511 -22.3305 -27.9052 -107.545 144.789 6.81978 19.7517 -561.648 PRESSAVG: 2040800 15.4162 10.2063 7.064 10.2062 -54.1605 46.555 7.06402 46.5551 20.6506 GPRESSAVG: 2040800 16.7011 8.67434 7.29794 10.4246 -55.7481 46.6468 5.37471 44.4075 20.9593 TIMING: 2040800 CPU: 6376.66, 0.00312765/step Wall: 6376.66, 0.00312765/step, 2.57093 hours remaining, 234.964844 MB of memory in use. ENERGY: 2040800 4050.0543 20383.5006 14390.1222 251.1371 -203543.4080 2831.9502 0.0000 0.0000 52025.4852 -109611.1585 298.9912 -161636.6436 -109252.9005 298.7196 -259.6952 -223.5117 762341.1288 -6.0312 -6.0292 PRESSURE: 2041000 92.9028 10.7363 -139.111 10.7357 143.444 -91.6336 -139.111 -91.634 14.0751 GPRESSURE: 2041000 191.2 -104.565 -113.928 -59.4955 92.6565 -45.3228 -137.045 29.2437 62.7059 PRESSAVG: 2041000 28.2392 21.4426 -4.86221 21.4427 -23.305 -30.7969 -4.86222 -30.797 0.295148 GPRESSAVG: 2041000 29.1685 22.9994 -4.21002 21.2493 -22.6515 -30.328 -2.69593 -29.5263 -0.492339 TIMING: 2041000 CPU: 6377.29, 0.00312822/step Wall: 6377.29, 0.00312822/step, 2.57123 hours remaining, 234.964844 MB of memory in use. ENERGY: 2041000 3922.2553 20563.3891 14336.5974 243.3371 -203194.1302 2736.1098 0.0000 0.0000 51912.9854 -109479.4561 298.3446 -161392.4415 -109123.0533 298.6663 83.4740 115.5208 763254.0342 1.7431 2.0082 PRESSURE: 2041200 -198.669 160.947 116.087 160.947 68.742 -185.073 116.087 -185.073 -73.6094 GPRESSURE: 2041200 -173.433 76.4671 99.6354 106.51 74.2819 -211.234 198.223 -134.698 -35.4408 PRESSAVG: 2041200 -7.86188 37.8565 68.2598 37.8565 -18.6071 41 68.2598 41 -23.3707 GPRESSAVG: 2041200 -9.7721 35.1702 68.2107 38.1286 -18.4194 40.0856 66.2645 40.7842 -21.607 TIMING: 2041200 CPU: 6377.91, 0.00310467/step Wall: 6377.91, 0.00310467/step, 2.55169 hours remaining, 234.964844 MB of memory in use. ENERGY: 2041200 4037.9640 20426.2539 14440.8906 240.7680 -203362.9140 2945.4182 0.0000 0.0000 51913.3968 -109358.2225 298.3470 -161271.6193 -108991.7488 298.8477 -67.8455 -44.8640 761357.2763 -16.6132 -16.5995 PRESSURE: 2041400 -45.105 -34.4786 32.4941 -34.4783 -23.9511 23.3234 32.4937 23.3232 60.7047 GPRESSURE: 2041400 -5.43821 5.64915 28.2654 -54.0799 -16.809 -4.48192 164.851 -93.9194 94.2766 PRESSAVG: 2041400 40.2065 -20.1378 22.4126 -20.1378 -16.3624 24.0698 22.4126 24.0698 11.9645 GPRESSAVG: 2041400 41.3333 -19.9628 21.9894 -19.4407 -16.3637 24.64 25.0627 23.5117 11.2683 TIMING: 2041400 CPU: 6378.54, 0.00313425/step Wall: 6378.54, 0.00313425/step, 2.57583 hours remaining, 234.964844 MB of memory in use. ENERGY: 2041400 3935.4855 20532.0702 14379.1443 239.9472 -202908.8034 2615.3561 0.0000 0.0000 52217.0080 -108989.7921 300.0919 -161206.8001 -108620.8038 299.4068 -2.7838 24.0098 761857.0003 11.9362 12.0793 PRESSURE: 2041600 -119.415 28.9715 64.2638 28.9712 -64.779 -88.8752 64.2641 -88.8747 -167.343 GPRESSURE: 2041600 -38.8589 -18.9068 135.383 -43.7632 -73.6038 -82.8961 70.9151 -31.6357 -147.411 PRESSAVG: 2041600 -4.3573 6.23894 67.5376 6.23896 26.9036 -7.81431 67.5377 -7.8143 14.963 GPRESSAVG: 2041600 -3.74908 7.43057 67.4292 5.80337 27.2521 -7.93214 66.9821 -9.49809 15.0322 TIMING: 2041600 CPU: 6379.17, 0.00314355/step Wall: 6379.17, 0.00314355/step, 2.5833 hours remaining, 234.964844 MB of memory in use. ENERGY: 2041600 3971.0295 20496.3158 14387.0170 251.5389 -203328.0340 2838.0658 0.0000 0.0000 52124.3706 -109259.6964 299.5595 -161384.0669 -108897.9020 299.6466 -117.1789 -86.6246 761605.5841 12.5031 12.8451 PRESSURE: 2041800 -38.0091 -144.549 3.86467 -144.549 107.026 49.3559 3.86456 49.3558 -139.298 GPRESSURE: 2041800 -64.7892 -174.72 33.8176 -54.9958 151.623 83.9256 -7.86117 74.3966 -73.7925 PRESSAVG: 2041800 26.0706 31.796 8.10454 31.7959 -46.4321 -2.43943 8.1045 -2.43948 -4.32111 GPRESSAVG: 2041800 25.033 33.7715 7.28049 31.0838 -45.8158 -2.54804 7.1156 -0.758947 -3.67866 TIMING: 2041800 CPU: 6379.78, 0.00309428/step Wall: 6379.78, 0.00309428/step, 2.54264 hours remaining, 234.964844 MB of memory in use. ENERGY: 2041800 4000.7063 20415.9302 14353.0332 253.3611 -203258.6605 2924.3968 0.0000 0.0000 51766.6461 -109544.5867 297.5036 -161311.2328 -109182.7108 298.7678 -23.4271 4.3470 762391.4085 -8.2275 -8.1538 PRESSURE: 2042000 36.7467 -228.023 -48.1633 -228.023 -396.644 -93.8082 -48.1638 -93.8072 -81.8592 GPRESSURE: 2042000 -44.508 -148.571 -91.6505 -74.8068 -233.922 -137.597 103.294 -18.0702 -67.8682 PRESSAVG: 2042000 35.7426 -32.4555 10.0791 -32.4555 -35.8647 9.96192 10.0791 9.962 -7.24502 GPRESSAVG: 2042000 35.5879 -34.0158 10.9057 -31.6413 -35.9187 10.5965 10.2077 10.4901 -7.31321 TIMING: 2042000 CPU: 6380.41, 0.00312273/step Wall: 6380.41, 0.00312273/step, 2.56584 hours remaining, 234.964844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2042000 3986.6818 20404.9325 14393.2215 238.3672 -203262.6493 2809.9009 0.0000 0.0000 51985.6954 -109443.8501 298.7625 -161429.5455 -109087.2893 298.5859 -147.2522 -115.4327 761933.2732 -2.4557 -2.5480 PRESSURE: 2042200 -108.435 -224.471 61.6 -224.471 -17.268 227.558 61.5996 227.559 -66.6354 GPRESSURE: 2042200 40.1359 -149.444 196.913 -371 3.56099 173.797 -74.2179 265.012 -147.357 PRESSAVG: 2042200 30.4847 -75.5193 0.110597 -75.5194 -42.5331 92.0395 0.110594 92.0395 26.3334 GPRESSAVG: 2042200 32.0267 -75.1855 0.859236 -74.2346 -43.9595 92.0308 0.156178 90.7072 26.3437 TIMING: 2042200 CPU: 6381.04, 0.00314622/step Wall: 6381.04, 0.00314623/step, 2.58497 hours remaining, 234.964844 MB of memory in use. ENERGY: 2042200 4057.5053 20562.2864 14447.4519 226.9222 -203251.0020 2647.9575 0.0000 0.0000 52079.5408 -109229.3380 299.3018 -161308.8788 -108870.5465 298.9709 -64.1127 -34.5534 762353.6774 4.7616 4.8036 PRESSURE: 2042400 -507.919 -26.8282 -11.0247 -26.8283 4.89689 -15.9813 -11.026 -15.9812 162.338 GPRESSURE: 2042400 -519.012 -20.6497 -82.9357 -82.7999 56.4681 -86.1058 -97.8307 -4.58682 202.151 PRESSAVG: 2042400 17.6174 -40.9294 5.72477 -40.9294 -24.0275 109.553 5.72469 109.553 14.4249 GPRESSAVG: 2042400 17.5165 -41.2013 6.25171 -42.4688 -22.9192 111.022 4.40184 111.553 13.4888 TIMING: 2042400 CPU: 6381.66, 0.00311832/step Wall: 6381.66, 0.00311831/step, 2.56187 hours remaining, 234.964844 MB of memory in use. ENERGY: 2042400 3976.8982 20528.6293 14427.2720 232.6667 -203084.3765 2667.2177 0.0000 0.0000 51998.5418 -109253.1507 298.8363 -161251.6924 -108888.2261 298.6497 -113.5613 -86.7978 761507.0053 2.6716 2.6953 PRESSURE: 2042600 167.127 64.5777 323.726 64.5769 -257.355 67.5409 323.726 67.5403 -50.303 GPRESSURE: 2042600 155.932 61.7982 349.137 175.323 -129.686 61.1137 338.054 34.0554 -57.3424 PRESSAVG: 2042600 -21.1851 -56.5987 -25.5967 -56.5987 19.4948 37.2317 -25.5967 37.2317 -0.693483 GPRESSAVG: 2042600 -22.1118 -58.3044 -26.64 -55.0835 19.8621 35.7816 -25.5472 36.5138 -0.0106387 TIMING: 2042600 CPU: 6382.28, 0.00311378/step Wall: 6382.28, 0.00311378/step, 2.55797 hours remaining, 234.964844 MB of memory in use. ENERGY: 2042600 3961.0856 20708.3063 14413.4258 233.1811 -202984.0763 2478.2328 0.0000 0.0000 51979.6163 -109210.2284 298.7276 -161189.8447 -108853.2647 299.1977 -46.8434 -10.3656 762401.1239 -0.7946 -0.7534 PRESSURE: 2042800 45.388 -8.26581 -213.055 -8.26503 -99.0086 5.72883 -213.055 5.72841 -195.489 GPRESSURE: 2042800 94.1721 73.9182 -142.945 -42.2347 -68.1004 7.06468 -126.125 -2.41476 -198.759 PRESSAVG: 2042800 21.6537 60.399 52.9063 60.3991 -40.6344 13.0247 52.9063 13.0247 -9.04002 GPRESSAVG: 2042800 21.8537 62.3014 53.1073 59.3879 -41.4323 13.4522 53.304 13.4966 -8.94969 TIMING: 2042800 CPU: 6382.91, 0.00311648/step Wall: 6382.91, 0.00311648/step, 2.56001 hours remaining, 234.964844 MB of memory in use. ENERGY: 2042800 3995.2470 20471.5443 14376.5356 259.9844 -203015.9841 2732.3866 0.0000 0.0000 52108.7631 -109071.5231 299.4698 -161180.2862 -108718.1712 299.3747 -83.0364 -57.5625 763435.4378 -9.3402 -9.5094 PRESSURE: 2043000 -308.656 -106.443 53.4381 -106.443 86.0479 113.774 53.4384 113.774 203.882 GPRESSURE: 2043000 -233.671 -96.3854 2.83369 -167.029 81.0553 114.232 105.221 55.4683 233.915 PRESSAVG: 2043000 -22.7398 9.00156 -26.1828 9.00162 -10.1762 47.5243 -26.1828 47.5244 -1.02785 GPRESSAVG: 2043000 -22.4109 8.5979 -25.7562 8.50415 -9.46779 47.8461 -24.7362 47.3861 -2.40735 TIMING: 2043000 CPU: 6383.53, 0.00310099/step Wall: 6383.53, 0.00310099/step, 2.54712 hours remaining, 234.964844 MB of memory in use. ENERGY: 2043000 3978.8182 20651.6961 14385.2315 252.8383 -202938.2922 2649.6181 0.0000 0.0000 52024.3560 -108995.7341 298.9847 -161020.0901 -108635.7214 299.0164 -6.2422 27.0998 762743.9372 -11.3146 -11.4287 PRESSURE: 2043200 -120.373 30.2935 -172.722 30.2936 -196.818 181.501 -172.721 181.502 -347.173 GPRESSURE: 2043200 23.4131 -53.118 -106.522 100.049 -230.124 164.18 -238.81 173.765 -389.48 PRESSAVG: 2043200 47.0388 -37.8971 -64.9372 -37.8972 -70.0355 61.1613 -64.9373 61.1614 0.140496 GPRESSAVG: 2043200 46.9282 -37.3131 -64.91 -37.4555 -70.3074 61.1764 -66.4699 58.7684 0.19036 TIMING: 2043200 CPU: 6384.15, 0.00312047/step Wall: 6384.15, 0.00312047/step, 2.56295 hours remaining, 234.964844 MB of memory in use. ENERGY: 2043200 4039.8796 20493.8149 14477.0886 238.4391 -203441.7010 3005.3941 0.0000 0.0000 52113.5035 -109073.5812 299.4970 -161187.0847 -108719.8067 299.7382 -221.4546 -198.7303 763121.1806 -7.6187 -7.7296 PRESSURE: 2043400 -5.56968 -25.2681 49.6741 -25.2675 -241.271 135.741 49.6743 135.742 -214.562 GPRESSURE: 2043400 -13.3567 60.7592 88.9549 -43.0156 -183.468 98.3363 -29.3747 111.167 -193.51 PRESSAVG: 2043400 -2.66048 -20.9047 -42.7714 -20.9047 2.83788 14.6532 -42.7714 14.6531 3.40954 GPRESSAVG: 2043400 -2.87167 -20.7787 -41.6241 -21.6302 2.09347 13.7493 -42.7316 15.8424 3.83586 TIMING: 2043400 CPU: 6384.78, 0.00311703/step Wall: 6384.78, 0.00311703/step, 2.55995 hours remaining, 234.964844 MB of memory in use. ENERGY: 2043400 4034.1120 20647.0628 14476.0922 262.3559 -202882.2972 2561.1819 0.0000 0.0000 52048.3194 -108853.1731 299.1224 -160901.4925 -108498.1104 299.9073 -153.8007 -130.1116 764235.1546 1.1956 1.0192 PRESSURE: 2043600 -139.297 63.0292 190.586 63.0301 -35.3283 190.596 190.587 190.596 326.085 GPRESSURE: 2043600 -86.9123 119.617 173.843 126.52 -12.5654 179.786 -53.5644 159.219 339.24 PRESSAVG: 2043600 1.88094 8.30031 2.61443 8.30032 -13.5806 1.89949 2.6144 1.89945 0.193371 GPRESSAVG: 2043600 1.89894 9.01138 2.62309 8.33298 -13.6178 2.3169 2.54374 0.606196 1.01576 TIMING: 2043600 CPU: 6385.4, 0.00310491/step Wall: 6385.4, 0.00310491/step, 2.54982 hours remaining, 234.964844 MB of memory in use. ENERGY: 2043600 3952.5834 20523.1883 14398.6452 251.7197 -203255.5575 2718.3843 0.0000 0.0000 52225.2433 -109185.7934 300.1392 -161411.0367 -108829.8914 299.7958 50.4864 79.9208 762122.3643 -3.8354 -3.5677 PRESSURE: 2043800 -66.1797 9.58149 -36.1511 9.58048 -146.279 256.427 -36.1512 256.427 391.945 GPRESSURE: 2043800 -10.6855 -25.6952 -52.6056 -48.9586 -89.3103 184.565 82.4755 192.14 349.856 PRESSAVG: 2043800 -22.9891 43.8577 -2.31017 43.8577 5.34819 8.91477 -2.31026 8.91478 -12.6695 GPRESSAVG: 2043800 -22.5913 41.9461 -4.42981 44.2172 5.50145 8.20652 -2.04598 9.87082 -13.4909 TIMING: 2043800 CPU: 6386.02, 0.00311359/step Wall: 6386.02, 0.00311359/step, 2.55678 hours remaining, 234.964844 MB of memory in use. ENERGY: 2043800 3971.2419 20483.2698 14450.9331 230.3400 -203245.0715 2699.8008 0.0000 0.0000 51954.9307 -109454.5553 298.5857 -161409.4860 -109071.2472 298.5328 59.8288 83.2868 764214.8372 -10.1035 -10.1936 PRESSURE: 2044000 22.0541 189.166 -78.9979 189.165 88.7489 -27.3748 -78.9979 -27.3748 750.665 GPRESSURE: 2044000 79.7237 204.619 -123.771 162.401 115.165 -31.1424 -85.4472 139.343 740.722 PRESSAVG: 2044000 -35.7887 22.489 17.4757 22.4889 -34.1792 64.6423 17.4757 64.6423 12.3602 GPRESSAVG: 2044000 -36.8799 24.0699 17.7802 21.2748 -34.8776 65.073 18.2494 63.6578 14.121 TIMING: 2044000 CPU: 6386.64, 0.00309234/step Wall: 6386.64, 0.00309234/step, 2.53916 hours remaining, 234.964844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2044000 3944.2095 20420.7226 14434.7378 251.1610 -203441.7011 2947.6696 0.0000 0.0000 51937.6710 -109505.5297 298.4865 -161443.2007 -109152.1352 298.4916 287.1560 311.8704 762568.1916 -19.2026 -19.2122 PRESSURE: 2044200 67.6698 -161.621 82.1133 -161.621 155.193 160.521 82.114 160.522 -39.3251 GPRESSURE: 2044200 101.003 -140.268 30.9424 -219.596 139.535 175.72 -74.9084 157.268 20.0585 PRESSAVG: 2044200 -30.0632 67.2065 -15.6704 67.2065 40.497 43.8699 -15.6704 43.87 18.8733 GPRESSAVG: 2044200 -29.317 66.5273 -15.1135 67.6747 40.4127 44.7609 -16.9099 45.6111 18.064 TIMING: 2044200 CPU: 6387.26, 0.00311453/step Wall: 6387.26, 0.00311453/step, 2.5572 hours remaining, 234.964844 MB of memory in use. ENERGY: 2044200 4027.5381 20394.0814 14432.1543 244.4491 -202924.2730 2552.9101 0.0000 0.0000 51979.7287 -109293.4112 298.7282 -161273.1400 -108928.2155 298.3233 61.1793 86.8653 762165.7627 9.7690 9.7199 LDB: ============= START OF LOAD BALANCING ============== 6399.74 LDB: ============== END OF LOAD BALANCING =============== 6399.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6399.74 LDB: ============= START OF LOAD BALANCING ============== 6400.06 LDB: Largest compute 7058 load 0.030142 is 15.5% of average load 0.195047 LDB: Average compute 0.004371 is 2.2% of average load 0.195047 LDB: TIME 6400.06 LOAD: AVG 0.195047 MAX 0.216282 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 6400.06 LOAD: AVG 0.195047 MAX 0.216282 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.457 MB LDB: TIME 6400.06 LOAD: AVG 0.195047 MAX 0.216282 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.457 MB LDB: ============== END OF LOAD BALANCING =============== 6400.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6400.07 PRESSURE: 2044400 -235.878 51.7643 58.1192 51.7644 -38.3867 -42.3626 58.1203 -42.3624 -17.1523 GPRESSURE: 2044400 -282.138 23.096 16.7442 61.7591 -1.43012 -111.177 199.133 -17.3638 69.2565 PRESSAVG: 2044400 -40.7391 -25.2351 12.0503 -25.2351 52.8305 35.9605 12.0503 35.9606 -16.7563 GPRESSAVG: 2044400 -41.0382 -25.1678 13.0269 -25.2684 53.0419 35.9979 14.7534 33.7705 -17.05 TIMING: 2044400 CPU: 6387.9, 0.00320732/step Wall: 6387.9, 0.00320732/step, 2.63321 hours remaining, 234.050781 MB of memory in use. ENERGY: 2044400 3961.7200 20745.0047 14372.3763 240.7779 -202988.5473 2581.8383 0.0000 0.0000 51757.0450 -109329.7851 297.4484 -161086.8301 -108977.8051 298.6290 -97.1390 -71.4373 764365.4956 -1.5550 -1.6821 PRESSURE: 2044600 -233.118 -106.784 71.0454 -106.783 -150.784 138.45 71.0456 138.452 155.749 GPRESSURE: 2044600 -179.993 -189.554 133.824 -67.7984 -40.3972 72.2403 2.06123 55.3255 76.0321 PRESSAVG: 2044600 -33.4339 -20.2712 -16.7094 -20.2713 24.8303 -13.627 -16.7094 -13.627 -0.948148 GPRESSAVG: 2044600 -32.856 -19.0231 -18.0224 -20.8154 25.6867 -14.1362 -17.2906 -12.1852 -1.93679 TIMING: 2044600 CPU: 6388.53, 0.00312505/step Wall: 6388.53, 0.00312505/step, 2.56549 hours remaining, 234.050781 MB of memory in use. ENERGY: 2044600 3971.0467 20657.7381 14379.9194 252.4092 -203308.1517 2608.8716 0.0000 0.0000 52036.4155 -109401.7511 299.0540 -161438.1666 -109050.0840 298.7365 -76.0511 -48.1195 762922.6543 -3.1839 -3.0353 PRESSURE: 2044800 -71.623 -238.622 23.743 -238.623 -122.407 -18.8849 23.7431 -18.8838 98.5991 GPRESSURE: 2044800 29.6332 -189.755 79.3994 -217.521 -190.552 -85.4845 35.7511 -33.4475 146.405 PRESSAVG: 2044800 -3.00824 5.96141 -19.4457 5.96139 15.7798 2.31121 -19.4457 2.31132 -21.6387 GPRESSAVG: 2044800 -3.34494 3.62892 -16.9545 7.5355 15.3906 -0.0217868 -21.0787 2.24786 -20.3585 TIMING: 2044800 CPU: 6389.15, 0.00310674/step Wall: 6389.15, 0.00310674/step, 2.55029 hours remaining, 234.050781 MB of memory in use. ENERGY: 2044800 3964.7003 20519.7894 14347.7821 229.6745 -203034.0510 2533.6566 0.0000 0.0000 52268.4085 -109170.0396 300.3873 -161438.4482 -108812.1931 299.5603 -31.8102 -4.8380 763164.4094 -2.9557 -2.7709 PRESSURE: 2045000 -384.934 -225.368 65.6635 -225.368 -449.79 265.191 65.6639 265.193 -281.555 GPRESSURE: 2045000 -307.325 -311.196 58.2454 -219.249 -383.431 173.607 147.391 158.096 -332.688 PRESSAVG: 2045000 -9.48926 -46.5395 16.7753 -46.5395 -24.1062 50.3847 16.7753 50.3847 0.0323148 GPRESSAVG: 2045000 -8.17803 -43.8422 14.6322 -45.6989 -24.0875 51.8614 18.3289 50.7172 -0.99977 TIMING: 2045000 CPU: 6389.77, 0.00313396/step Wall: 6389.77, 0.00313396/step, 2.57246 hours remaining, 234.050781 MB of memory in use. ENERGY: 2045000 4079.1160 20402.5833 14401.4354 253.8757 -203013.3491 2667.1005 0.0000 0.0000 52122.2955 -109086.9428 299.5475 -161209.2383 -108720.2909 299.3798 -372.0931 -341.1479 765054.2961 -11.1877 -11.0884 PRESSURE: 2045200 181.624 137.642 -227.173 137.642 284.2 -63.4594 -227.172 -63.4586 89.7994 GPRESSURE: 2045200 268.746 86.7686 -126.782 204.336 199.363 92.6591 -288.702 -120.037 146.256 PRESSAVG: 2045200 7.27072 -38.2672 8.38221 -38.2672 16.4092 57.3206 8.38214 57.3207 11.7387 GPRESSAVG: 2045200 7.09584 -39.0662 10.2862 -39.869 15.272 57.8214 8.19957 55.801 12.7018 TIMING: 2045200 CPU: 6390.4, 0.00311937/step Wall: 6390.4, 0.00311937/step, 2.56031 hours remaining, 234.050781 MB of memory in use. ENERGY: 2045200 4050.3590 20522.4508 14412.8679 231.9722 -203354.3489 3065.2391 0.0000 0.0000 51960.8178 -109110.6420 298.6195 -161071.4598 -108756.2808 299.7172 185.2076 204.7882 762950.5545 11.8062 11.6899 PRESSURE: 2045400 -201.723 -174.773 122.181 -174.773 143.52 17.7894 122.182 17.7914 -29.564 GPRESSURE: 2045400 -162.027 -98.7719 65.9625 -115.266 200.762 36.9156 100.214 117.936 -41.5584 PRESSAVG: 2045400 -21.7461 -11.2147 -28.4997 -11.2147 3.17254 -28.6222 -28.4997 -28.6222 -2.75228 GPRESSAVG: 2045400 -22.7204 -11.4028 -30.4754 -10.2804 4.36284 -28.9591 -29.5844 -26.8594 -2.60354 TIMING: 2045400 CPU: 6391.02, 0.00311562/step Wall: 6391.02, 0.00311562/step, 2.55706 hours remaining, 234.050781 MB of memory in use. ENERGY: 2045400 4001.0820 20461.2887 14381.1869 238.6474 -203331.2779 2806.3249 0.0000 0.0000 52249.4953 -109193.2529 300.2786 -161442.7482 -108827.7929 299.1322 -29.2556 -0.9413 763253.5492 -7.1086 -6.9870 PRESSURE: 2045600 -3.59275 153.48 75.0687 153.481 228.104 -42.501 75.0692 -42.5014 275.378 GPRESSURE: 2045600 23.0305 128.601 88.8929 116.643 222.209 -60.4489 99.6107 -190.774 341.883 PRESSAVG: 2045600 17.4806 -31.147 -46.8843 -31.147 -20.2916 -26.601 -46.8843 -26.601 -26.4985 GPRESSAVG: 2045600 18.2744 -28.5689 -45.3955 -34.0314 -20.6291 -25.6514 -45.2051 -28.0761 -26.0709 TIMING: 2045600 CPU: 6391.64, 0.00310314/step Wall: 6391.64, 0.00310314/step, 2.54665 hours remaining, 234.050781 MB of memory in use. ENERGY: 2045600 3910.5820 20609.6876 14505.7711 258.3638 -203274.2245 2784.9577 0.0000 0.0000 51999.1127 -109205.7497 298.8396 -161204.8624 -108853.2890 299.2672 166.6299 195.7076 762087.0988 -9.7698 -9.4752 PRESSURE: 2045800 -74.1997 59.9696 -88.6906 59.9707 37.457 -59.74 -88.6898 -59.7395 -337.527 GPRESSURE: 2045800 -71.7848 41.7058 -67.6337 -11.1227 77.0095 -155.676 -48.5778 -22.9219 -304.273 PRESSAVG: 2045800 -20.2188 -14.262 -16.4157 -14.262 27.2178 -55.8357 -16.4157 -55.8358 47.6795 GPRESSAVG: 2045800 -19.2323 -16.5573 -17.7399 -13.0121 26.2823 -57.4626 -15.5417 -54.0608 47.3007 TIMING: 2045800 CPU: 6392.27, 0.00312569/step Wall: 6392.27, 0.00312569/step, 2.56498 hours remaining, 234.050781 MB of memory in use. ENERGY: 2045800 4022.4763 20575.5303 14450.3601 227.7929 -203356.9644 2740.2797 0.0000 0.0000 52114.8095 -109225.7157 299.5045 -161340.5252 -108866.1284 299.6042 -124.7564 -99.6829 761849.2006 18.2261 18.1169 PRESSURE: 2046000 -341.796 53.8266 56.9841 53.8274 -45.689 -13.8281 56.9834 -13.829 -247.616 GPRESSURE: 2046000 -316.379 92.8727 49.9425 105.322 -63.9684 13.1176 42.5497 -83.9026 -165.865 PRESSAVG: 2046000 -1.17549 -21.2697 3.01453 -21.2697 -18.483 31.2239 3.01455 31.2239 -4.16334 GPRESSAVG: 2046000 -2.01977 -20.7794 4.43016 -21.6314 -18.4338 32.1622 3.11173 28.265 -2.91992 TIMING: 2046000 CPU: 6392.89, 0.00311928/step Wall: 6392.89, 0.00311928/step, 2.55955 hours remaining, 234.050781 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: 2046000 4000.4854 20477.4285 14446.4098 248.0978 -203400.9126 3081.7801 0.0000 0.0000 51978.2989 -109168.4122 298.7200 -161146.7111 -108807.2948 299.1988 -211.7002 -182.0707 764417.3768 -7.9406 -7.7912 PRESSURE: 2046200 -110.313 129.638 47.2587 129.639 23.9722 -208.178 47.2579 -208.177 -153.824 GPRESSURE: 2046200 -100.186 112.614 45.2937 144.945 58.5363 -239.42 -5.54586 -191.525 -130.426 PRESSAVG: 2046200 -20.3587 0.164584 19.6759 0.164626 32.5464 -36.404 19.6759 -36.404 17.2202 GPRESSAVG: 2046200 -19.7123 1.82995 18.6067 -0.470449 34.1001 -36.6473 17.8653 -32.8004 14.7418 TIMING: 2046200 CPU: 6393.51, 0.0031086/step Wall: 6393.51, 0.0031086/step, 2.5506 hours remaining, 234.050781 MB of memory in use. ENERGY: 2046200 4040.2386 20334.0566 14466.6103 221.9799 -203025.5112 2794.8677 0.0000 0.0000 52049.4760 -109118.2822 299.1291 -161167.7581 -108753.8481 299.2594 -80.0551 -57.3586 765065.3641 9.8026 9.7099 PRESSURE: 2046400 -132.512 76.9056 21.9583 76.9061 -410.02 -132.935 21.9577 -132.935 -131.606 GPRESSURE: 2046400 -90.569 4.03921 -34.9275 44.9761 -360.672 -126.337 7.70363 -67.9495 -138.607 PRESSAVG: 2046400 -26.7378 28.4007 28.1417 28.4007 14.5656 -65.4414 28.1417 -65.4415 -7.21878 GPRESSAVG: 2046400 -26.8334 26.1745 29.8208 28.2454 12.4398 -64.0074 28.8856 -66.952 -4.97351 TIMING: 2046400 CPU: 6394.13, 0.00310316/step Wall: 6394.13, 0.00310316/step, 2.54597 hours remaining, 234.050781 MB of memory in use. ENERGY: 2046400 4006.6436 20441.9332 14460.9487 222.5190 -202994.1216 2458.5515 0.0000 0.0000 52176.6325 -109226.8931 299.8598 -161403.5256 -108863.2653 298.6975 -224.7126 -196.6162 763956.5718 -6.4637 -6.4557 PRESSURE: 2046600 -223.786 -97.7248 35.632 -97.7247 -102.649 113.536 35.6316 113.537 36.4607 GPRESSURE: 2046600 -185.739 -15.2455 -3.45793 -76.2203 -98.1976 159.879 90.4333 16.966 77.1969 PRESSAVG: 2046600 -51.3218 -56.2951 -10.8012 -56.2951 20.0493 63.2388 -10.8012 63.2388 20.4119 GPRESSAVG: 2046600 -51.0394 -53.8482 -11.6193 -56.9568 20.9589 61.2649 -9.65531 63.9147 19.4115 TIMING: 2046600 CPU: 6394.76, 0.00313661/step Wall: 6394.76, 0.00313661/step, 2.57324 hours remaining, 234.050781 MB of memory in use. ENERGY: 2046600 4021.8204 20674.0122 14512.8122 255.8471 -203410.3076 2764.1069 0.0000 0.0000 51850.2257 -109331.4830 297.9840 -161181.7088 -108973.6279 299.3220 -96.6581 -68.9132 763833.1648 -3.6202 -3.5563 PRESSURE: 2046800 114.275 169.999 57.3786 169.998 143.244 -68.9152 57.379 -68.9145 123.173 GPRESSURE: 2046800 117.223 234.824 29.7301 172.545 137.915 34.1628 121.595 14.0619 185.069 PRESSAVG: 2046800 -55.731 34.2964 52.3964 34.2964 46.8134 -30.0763 52.3963 -30.0762 -10.701 GPRESSAVG: 2046800 -56.5985 31.273 50.7569 35.8496 47.7549 -29.7551 52.1819 -29.3678 -11.281 TIMING: 2046800 CPU: 6395.39, 0.00313858/step Wall: 6395.39, 0.00313858/step, 2.57468 hours remaining, 234.050781 MB of memory in use. ENERGY: 2046800 3922.1269 20535.7416 14606.4036 238.5488 -203302.7489 2893.8160 0.0000 0.0000 51868.4399 -109237.6721 298.0886 -161106.1120 -108877.0091 299.0933 126.8971 146.7357 762172.5929 -6.5395 -6.7082 PRESSURE: 2047000 -157.268 -76.2134 151.215 -76.2135 -321.758 312.331 151.216 312.331 -22.9714 GPRESSURE: 2047000 -167.555 -103.002 130.67 -126.242 -312.894 293.091 158.143 266.907 66.1734 PRESSAVG: 2047000 6.48047 27.8234 49.2946 27.8234 -8.64652 52.4055 49.2946 52.4053 -7.8009 GPRESSAVG: 2047000 6.36176 25.9722 51.4061 28.6564 -9.35385 53.0839 48.7646 50.2822 -6.96985 TIMING: 2047000 CPU: 6396.01, 0.0031229/step Wall: 6396.01, 0.0031229/step, 2.56164 hours remaining, 234.050781 MB of memory in use. ENERGY: 2047000 3981.2721 20460.2545 14487.7469 249.9687 -202898.1930 2490.5152 0.0000 0.0000 51918.6207 -109309.8149 298.3770 -161228.4356 -108956.5994 298.7022 -167.3327 -138.0921 763914.3490 -3.3223 -3.3206 PRESSURE: 2047200 81.8104 -24.5679 -188.227 -24.5673 -117.578 185.298 -188.226 185.297 258.703 GPRESSURE: 2047200 111.321 -95.1009 -302.816 132.049 -47.5766 142.227 -8.79734 242.125 237.383 PRESSAVG: 2047200 -33.298 30.4827 12.7787 30.4827 56.1646 12.7734 12.7786 12.7735 -19.1714 GPRESSAVG: 2047200 -32.2726 33.578 13.1234 29.6591 56.3855 12.1307 11.869 13.8855 -20.047 TIMING: 2047200 CPU: 6396.63, 0.00310475/step Wall: 6396.63, 0.00310475/step, 2.54659 hours remaining, 234.050781 MB of memory in use. ENERGY: 2047200 3953.8483 20456.4036 14404.7447 238.3176 -203014.5324 2624.5852 0.0000 0.0000 51983.7864 -109352.8466 298.7515 -161336.6330 -108986.6827 298.6526 74.3117 100.3758 761682.0819 1.2317 1.3553 PRESSURE: 2047400 168.935 -55.0519 12.2454 -55.0524 56.7293 -22.9172 12.2452 -22.9163 147.257 GPRESSURE: 2047400 195.448 -7.73855 -7.51562 -49.2514 148.534 104.592 -15.564 -53.9575 103.235 PRESSAVG: 2047400 9.53815 -10.7687 -16.7627 -10.7688 -29.5848 -14.4118 -16.7627 -14.4118 10.2306 GPRESSAVG: 2047400 9.84742 -9.82881 -17.4579 -10.7967 -31.4793 -15.12 -17.1229 -13.4695 11.3568 TIMING: 2047400 CPU: 6397.26, 0.00311962/step Wall: 6397.26, 0.00311962/step, 2.55861 hours remaining, 234.050781 MB of memory in use. ENERGY: 2047400 4032.7298 20503.2025 14380.9615 239.2031 -203024.0143 2538.4774 0.0000 0.0000 52004.5953 -109324.8446 298.8711 -161329.4399 -108969.1673 298.7316 124.3069 149.0726 762594.1033 -3.2720 -3.4250 PRESSURE: 2047600 -186.872 153.145 113.759 153.145 -219.399 -24.9036 113.759 -24.9038 -201.219 GPRESSURE: 2047600 -121.484 117.36 155.46 8.30406 -247.717 -38.6119 103.079 -82.6187 -142.206 PRESSAVG: 2047600 22.0189 14.2264 7.73716 14.2264 -49.9774 -0.979537 7.73721 -0.979496 -26.176 GPRESSAVG: 2047600 20.4397 13.0234 7.43504 14.7441 -48.3416 -0.123248 8.97374 -0.744824 -26.5947 TIMING: 2047600 CPU: 6397.88, 0.00310789/step Wall: 6397.88, 0.00310789/step, 2.54881 hours remaining, 234.050781 MB of memory in use. ENERGY: 2047600 4046.0104 20485.9149 14430.2305 229.0030 -202959.0428 2444.0568 0.0000 0.0000 51893.5701 -109430.2572 298.2331 -161323.8272 -109077.0218 298.8991 -202.4967 -170.4689 763688.1128 -18.0448 -18.1655 PRESSURE: 2047800 -43.4167 -261.425 165.82 -261.425 -89.1363 66.329 165.821 66.329 -410.409 GPRESSURE: 2047800 -58.5342 -193.877 126.339 -205.802 -60.6926 139.449 182.029 73.7265 -338.82 PRESSAVG: 2047800 -24.9793 0.0677725 18.0954 0.067788 -26.2878 -19.9821 18.0954 -19.9821 -9.33513 GPRESSAVG: 2047800 -25.4253 -0.455755 17.2448 -0.946909 -26.0131 -18.7111 18.4632 -20.4602 -9.11448 TIMING: 2047800 CPU: 6398.5, 0.00310415/step Wall: 6398.5, 0.00310415/step, 2.54558 hours remaining, 234.050781 MB of memory in use. ENERGY: 2047800 4004.1503 20321.1150 14371.8411 246.9105 -202855.7139 2649.8822 0.0000 0.0000 51828.3871 -109433.4277 297.8585 -161261.8148 -109067.1650 298.4885 -180.9875 -152.6823 762896.8247 -20.2007 -20.1843 PRESSURE: 2048000 150.871 -26.428 18.7903 -26.4266 -151.919 124.751 18.7907 124.751 184.017 GPRESSURE: 2048000 171.269 123.161 -20.5392 -24.7397 -91.8426 142.336 34.6018 158.541 201.362 PRESSAVG: 2048000 32.8171 -3.25797 14.071 -3.25796 1.56194 68.6306 14.071 68.6306 8.99528 GPRESSAVG: 2048000 32.9148 -0.155682 16.3981 -3.7822 1.54391 66.3142 11.7559 68.9401 9.18625 TIMING: 2048000 CPU: 6399.13, 0.0031237/step Wall: 6399.13, 0.0031237/step, 2.56143 hours remaining, 234.050781 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: 2048000 4024.1495 20282.1028 14415.4901 236.8503 -203047.6268 2725.5498 0.0000 0.0000 51659.2956 -109704.1888 296.8867 -161363.4844 -109347.5536 298.0991 60.9898 93.5962 761655.1755 14.4581 14.5483 PRESSURE: 2048200 -118.947 30.9241 -430.375 30.9237 -164.847 -136.431 -430.374 -136.43 -134.043 GPRESSURE: 2048200 -60.5335 44.946 -445.447 102.216 -216.84 -75.6537 -345.293 -125.067 -54.6396 PRESSAVG: 2048200 87.7589 81.8116 -63.3189 81.8116 -33.4592 -6.33039 -63.3189 -6.33029 -3.97279 GPRESSAVG: 2048200 89.1235 79.9798 -64.6899 82.1081 -34.2841 -4.56487 -63.0985 -6.72816 -4.48478 TIMING: 2048200 CPU: 6399.75, 0.00310922/step Wall: 6399.75, 0.00310922/step, 2.54939 hours remaining, 234.050781 MB of memory in use. ENERGY: 2048200 3925.9543 20453.7065 14397.8696 248.2521 -203033.3266 2377.6164 0.0000 0.0000 52080.0453 -109549.8825 299.3047 -161629.9278 -109191.5858 298.4390 -139.2790 -110.6711 761603.3634 16.7757 16.7849 LDB: ============= START OF LOAD BALANCING ============== 6412.23 LDB: ============== END OF LOAD BALANCING =============== 6412.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6412.23 LDB: ============= START OF LOAD BALANCING ============== 6412.54 LDB: Largest compute 7077 load 0.030280 is 15.5% of average load 0.194977 LDB: Average compute 0.004405 is 2.3% of average load 0.194977 LDB: TIME 6412.54 LOAD: AVG 0.194977 MAX 0.214651 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 237.391 MB LDB: TIME 6412.54 LOAD: AVG 0.194977 MAX 0.214651 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.43 MB LDB: TIME 6412.55 LOAD: AVG 0.194977 MAX 0.214651 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.43 MB LDB: ============== END OF LOAD BALANCING =============== 6412.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6412.55 PRESSURE: 2048400 16.1132 -265.245 86.0455 -265.245 173.316 162.236 86.0454 162.236 22.9991 GPRESSURE: 2048400 125.359 -279.291 67.3544 -187.006 61.2353 174.714 121.721 175.048 112.607 PRESSAVG: 2048400 64.6346 -7.7535 27.1581 -7.75352 -19.385 11.3315 27.1581 11.3315 25.2324 GPRESSAVG: 2048400 64.1536 -9.80276 26.2516 -5.8919 -19.0504 11.5961 28.4255 10.1727 24.9372 TIMING: 2048400 CPU: 6400.39, 0.00319542/step Wall: 6400.39, 0.00319542/step, 2.61989 hours remaining, 234.050781 MB of memory in use. ENERGY: 2048400 3962.0606 20640.9868 14454.3466 255.1108 -203347.0040 2683.0123 0.0000 0.0000 52069.2513 -109282.2355 299.2427 -161351.4869 -108925.7203 298.8778 70.8093 99.7337 760200.8487 23.4940 23.3468 PRESSURE: 2048600 337.161 -9.0135 -47.4962 -9.01248 111.43 -16.7129 -47.4964 -16.7131 54.6006 GPRESSURE: 2048600 443.071 -12.9404 30.8263 86.9186 173.396 -107.03 78.5352 -122.461 -39.7538 PRESSAVG: 2048600 62.3409 59.8849 24.9709 59.885 -61.9236 -36.2989 24.971 -36.2989 -11.5389 GPRESSAVG: 2048600 61.7809 60.2837 25.6953 58.834 -62.3275 -37.4174 24.7107 -35.5412 -10.8217 TIMING: 2048600 CPU: 6401.01, 0.00311769/step Wall: 6401.01, 0.00311769/step, 2.55599 hours remaining, 234.050781 MB of memory in use. ENERGY: 2048600 3991.6264 20491.2412 14465.8962 243.5146 -203453.5415 2985.0248 0.0000 0.0000 52005.7359 -109270.5024 298.8777 -161276.2383 -108907.1206 298.8829 167.7306 192.2376 761311.9548 -3.7072 -3.7894 PRESSURE: 2048800 292.208 -37.5241 117.115 -37.5241 197.771 183.293 117.115 183.294 241.52 GPRESSURE: 2048800 245.322 -45.3988 147.858 -79.9047 263.428 158.332 -36.0568 133.39 299.72 PRESSAVG: 2048800 40.2331 -1.21459 35.1675 -1.21456 -6.7196 -45.595 35.1675 -45.5951 -15.9146 GPRESSAVG: 2048800 39.1396 -0.115739 34.6137 -2.52206 -5.23855 -47.6891 36.4313 -46.2876 -15.4057 TIMING: 2048800 CPU: 6401.63, 0.00312169/step Wall: 6401.63, 0.00312169/step, 2.55909 hours remaining, 234.050781 MB of memory in use. ENERGY: 2048800 3999.3824 20199.2590 14391.0971 248.0402 -203390.4569 2953.8259 0.0000 0.0000 52196.7833 -109402.0692 299.9756 -161598.8524 -109032.3094 299.2138 243.8330 269.4901 763087.8544 5.8663 6.1651 PRESSURE: 2049000 -81.6044 -7.32215 86.0953 -7.32271 -191.296 -173.864 86.0949 -173.864 -52.1074 GPRESSURE: 2049000 -97.2433 33.6878 18.3565 32.9234 -149.68 -154.414 80.7302 -90.2574 11.9309 PRESSAVG: 2049000 -8.80741 38.1883 65.8776 38.1882 12.0152 3.09483 65.8777 3.09484 20.6794 GPRESSAVG: 2049000 -8.20476 37.1321 65.2221 39.4226 10.7959 4.77345 65.222 3.63633 20.8291 TIMING: 2049000 CPU: 6402.26, 0.00312111/step Wall: 6402.26, 0.00312111/step, 2.55844 hours remaining, 234.050781 MB of memory in use. ENERGY: 2049000 3968.2671 20474.2486 14425.7349 258.1088 -203350.2266 2764.5225 0.0000 0.0000 51999.2549 -109460.0898 298.8404 -161459.3447 -109103.3049 298.7090 -108.3360 -78.3309 761950.5126 7.9624 7.8068 PRESSURE: 2049200 -178.645 -73.1318 67.0385 -73.1323 -130.95 -2.13488 67.0386 -2.13582 -295.829 GPRESSURE: 2049200 -169.753 127.811 80.3917 -62.685 -79.8937 55.8799 105.186 29.9645 -274.716 PRESSAVG: 2049200 9.72454 48.2517 6.41872 48.2517 20.6171 -7.8654 6.41862 -7.86542 3.26557 GPRESSAVG: 2049200 9.78577 48.164 8.2098 47.9891 20.4746 -6.99387 5.34948 -10.1457 3.44148 TIMING: 2049200 CPU: 6402.88, 0.00312258/step Wall: 6402.88, 0.00312258/step, 2.55948 hours remaining, 234.050781 MB of memory in use. ENERGY: 2049200 3909.6406 20469.5488 14447.2273 231.9285 -203064.1644 2559.2308 0.0000 0.0000 52009.0666 -109437.5219 298.8968 -161446.5885 -109077.5786 298.9633 -201.8078 -174.7875 762658.8737 11.2024 11.2340 PRESSURE: 2049400 37.9315 -38.6688 -85.5394 -38.6688 61.6727 -72.2928 -85.5402 -72.2933 -84.5738 GPRESSURE: 2049400 62.6266 -42.5443 -22.8646 -15.2945 66.8387 -57.2361 -12.7698 -24.9565 -22.2371 PRESSAVG: 2049400 30.5851 49.1176 3.35777 49.1176 -0.40885 15.3576 3.35779 15.3574 -2.11073 GPRESSAVG: 2049400 30.6789 48.0204 3.03106 49.0209 0.340775 14.4759 5.38248 17.4388 -2.74954 TIMING: 2049400 CPU: 6403.51, 0.00313642/step Wall: 6403.51, 0.00313642/step, 2.57064 hours remaining, 234.050781 MB of memory in use. ENERGY: 2049400 4082.4853 20438.1209 14454.2362 236.4564 -203601.9142 2984.3107 0.0000 0.0000 52068.4533 -109337.8515 299.2381 -161406.3048 -108981.6631 299.1209 5.0101 35.7427 762228.0248 9.3552 9.4234 PRESSURE: 2049600 135.546 -30.8139 -30.0554 -30.8137 60.8627 -79.9704 -30.0547 -79.9703 176.833 GPRESSURE: 2049600 140.917 0.758397 -126.72 3.52398 124.189 -51.5071 28.4176 -52.9374 176.259 PRESSAVG: 2049600 -44.7434 25.8072 -4.38342 25.8071 -4.30794 -20.6721 -4.38347 -20.672 4.50293 GPRESSAVG: 2049600 -45.2698 25.3356 -3.86822 27.8342 -4.83576 -19.1994 -5.07608 -22.205 5.61453 TIMING: 2049600 CPU: 6404.14, 0.00312746/step Wall: 6404.14, 0.00312746/step, 2.56313 hours remaining, 234.050781 MB of memory in use. ENERGY: 2049600 3877.8448 20484.6896 14436.9526 236.2131 -203284.8940 2712.1264 0.0000 0.0000 52006.2697 -109530.7979 298.8807 -161537.0676 -109169.3553 298.9521 124.4137 147.1214 762234.1137 -14.8495 -14.8303 PRESSURE: 2049800 267.962 185.299 -79.7388 185.299 506.717 -178.771 -79.7389 -178.77 248.576 GPRESSURE: 2049800 377.52 100.8 -58.7212 89.9675 521.728 -204.867 -11.2969 -106.219 200.162 PRESSAVG: 2049800 -8.13349 63.48 19.3067 63.48 -2.13655 -59.5497 19.3067 -59.5496 20.9331 GPRESSAVG: 2049800 -6.91422 65.02 18.3854 60.5316 -2.34827 -61.755 19.7584 -57.4601 19.5313 TIMING: 2049800 CPU: 6404.76, 0.00311984/step Wall: 6404.76, 0.00311984/step, 2.55671 hours remaining, 234.050781 MB of memory in use. ENERGY: 2049800 3970.5562 20307.3466 14477.9042 259.5171 -203343.3479 2934.4745 0.0000 0.0000 52166.6070 -109226.9423 299.8022 -161393.5493 -108861.5117 298.7766 341.0849 366.4699 762837.9026 3.5543 3.4229 PRESSURE: 2050000 -255.042 -180.051 -65.7582 -180.051 -37.5737 81.1742 -65.7585 81.1747 127.263 GPRESSURE: 2050000 -245.391 -94.6445 -41.4975 -159.816 -59.966 109.016 -135.845 92.0378 210.919 PRESSAVG: 2050000 -17.2127 -8.90582 17.6187 -8.90578 -2.736 40.9969 17.6187 40.9969 33.7615 GPRESSAVG: 2050000 -17.135 -8.12495 16.6955 -7.43152 -2.9121 41.2406 15.2355 39.8371 34.2052 TIMING: 2050000 CPU: 6405.38, 0.00311589/step Wall: 6405.38, 0.00311589/step, 2.5533 hours remaining, 234.050781 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: 2050000 3948.1152 20547.1603 14433.5138 239.9300 -203130.5332 2675.1523 0.0000 0.0000 51901.9966 -109384.6650 298.2815 -161286.6615 -109024.2731 299.0259 -55.1175 -31.4793 762328.8479 4.6043 4.7194 PRESSURE: 2050200 184.683 -0.100279 -192.566 -0.0997798 -52.1241 285.167 -192.567 285.169 -119.207 GPRESSURE: 2050200 273.681 21.3524 -97.7939 21.9593 14.6997 270.261 -83.7851 304.816 -167.134 PRESSAVG: 2050200 11.1645 74.9088 4.51197 74.9089 -12.2259 -2.16784 4.51195 -2.16788 -2.34846 GPRESSAVG: 2050200 11.7132 74.5236 4.02737 74.3505 -13.1757 -2.55038 5.54858 -1.95556 -1.54694 TIMING: 2050200 CPU: 6406.01, 0.00311451/step Wall: 6406.01, 0.00311451/step, 2.552 hours remaining, 234.050781 MB of memory in use. ENERGY: 2050200 4009.4674 20438.1028 14412.0888 244.2181 -203258.0693 2701.9410 0.0000 0.0000 52009.1901 -109443.0610 298.8975 -161452.2511 -109080.0686 298.9551 4.4506 40.4155 762766.8331 -1.1366 -1.0031 PRESSURE: 2050400 293.363 -76.9509 -0.00225497 -76.951 324.45 22.177 -0.00289939 22.1761 101.766 GPRESSURE: 2050400 268.099 -88.7726 37.7315 -118.07 418.693 20.8968 75.7098 27.1598 119.822 PRESSAVG: 2050400 31.9611 23.6386 -1.38625 23.6386 -24.8679 -11.3918 -1.38628 -11.3917 -5.46859 GPRESSAVG: 2050400 30.9075 23.5904 0.678814 24.0272 -23.7352 -10.0971 0.798786 -10.7251 -5.51466 TIMING: 2050400 CPU: 6406.63, 0.00309928/step Wall: 6406.63, 0.00309928/step, 2.53934 hours remaining, 234.050781 MB of memory in use. ENERGY: 2050400 3936.4728 20550.3971 14421.9858 265.7470 -203689.0149 2959.1164 0.0000 0.0000 51923.4811 -109631.8145 298.4050 -161555.2957 -109278.2103 298.4424 239.8596 268.8712 761265.6114 0.5415 0.5525 PRESSURE: 2050600 -192.443 253.128 162.789 253.128 56.8727 68.334 162.789 68.3331 340.098 GPRESSURE: 2050600 -177.696 221.733 207.727 306.069 118.062 103.843 60.5007 41.3371 330.1 PRESSAVG: 2050600 -21.3141 80.2816 5.79802 80.2817 13.437 16.833 5.79797 16.833 -9.26814 GPRESSAVG: 2050600 -20.2662 80.652 5.86251 79.2799 13.1238 15.0712 5.0676 16.8191 -10.0296 TIMING: 2050600 CPU: 6407.25, 0.00312334/step Wall: 6407.25, 0.00312334/step, 2.55888 hours remaining, 234.050781 MB of memory in use. ENERGY: 2050600 3986.1826 20265.9305 14493.8556 252.7091 -203153.6888 2538.7925 0.0000 0.0000 52167.9994 -109448.2191 299.8102 -161616.2185 -109070.1696 298.3933 68.1757 90.1554 762767.0366 -5.7151 -5.7240 PRESSURE: 2050800 -204.584 49.3643 -19.2484 49.3644 144.09 -10.7076 -19.2483 -10.7074 -104.91 GPRESSURE: 2050800 -197.271 -9.24452 -13.8014 20.1961 216.501 -13.8781 -121.327 25.3391 -115.931 PRESSAVG: 2050800 -36.5097 42.1405 -22.3089 42.1405 11.0577 -32.8419 -22.3089 -32.8419 -22.9818 GPRESSAVG: 2050800 -37.2752 40.5395 -23.569 42.5977 11.908 -32.4359 -26.4415 -31.8781 -22.7985 TIMING: 2050800 CPU: 6407.87, 0.00311842/step Wall: 6407.87, 0.00311842/step, 2.55468 hours remaining, 234.050781 MB of memory in use. ENERGY: 2050800 3962.8461 20453.9790 14439.4107 259.9152 -203010.5940 2509.3873 0.0000 0.0000 52052.6270 -109332.4287 299.1472 -161385.0558 -108970.4971 299.0614 -55.1346 -32.2338 763044.8227 -16.1446 -16.0552 PRESSURE: 2051000 -346.136 170.038 7.19304 170.038 -40.0207 14.1655 7.19412 14.1661 -190.33 GPRESSURE: 2051000 -236.082 251.471 85.4193 142.606 -77.4987 96.362 -40.9837 9.41564 -164.256 PRESSAVG: 2051000 -25.9876 8.23449 3.86442 8.23454 39.6598 -15.075 3.86442 -15.0749 14.12 GPRESSAVG: 2051000 -26.144 11.7005 2.99836 6.8535 39.5472 -14.292 6.95444 -15.9172 14.41 TIMING: 2051000 CPU: 6408.5, 0.00311738/step Wall: 6408.5, 0.00311738/step, 2.55366 hours remaining, 234.050781 MB of memory in use. ENERGY: 2051000 3988.4244 20540.4246 14428.4476 253.0998 -203039.2828 2679.3309 0.0000 0.0000 51760.9778 -109388.5778 297.4711 -161149.5556 -109028.6566 298.8938 -192.1622 -159.2790 763762.8996 9.2641 9.2711 PRESSURE: 2051200 -311.283 44.4174 -167.253 44.4171 -116.007 115.747 -167.253 115.747 1.21044 GPRESSURE: 2051200 -207.702 36.0713 -94.8034 2.12626 -141.019 120.667 -60.8915 97.1255 0.271154 PRESSAVG: 2051200 -0.77469 38.6781 -37.6616 38.6782 -4.67423 -3.60945 -37.6617 -3.60944 -35.8322 GPRESSAVG: 2051200 -0.0541673 35.1807 -36.3605 40.0136 -5.58886 -5.02435 -37.0195 -2.60357 -35.3698 TIMING: 2051200 CPU: 6409.12, 0.0031002/step Wall: 6409.12, 0.0031002/step, 2.53941 hours remaining, 234.050781 MB of memory in use. ENERGY: 2051200 3998.3386 20504.0024 14388.8374 236.4281 -203430.2135 2618.8375 0.0000 0.0000 52092.6543 -109591.1152 299.3772 -161683.7696 -109215.5870 299.0059 -142.0266 -116.1501 762017.1238 -13.7604 -13.6709 PRESSURE: 2051400 -111.357 30.2712 -30.1653 30.272 -60.1582 125.79 -30.1648 125.79 118.401 GPRESSURE: 2051400 -66.5484 97.3637 -92.5136 -11.6095 -35.6338 3.88607 -27.5781 119.939 119.519 PRESSAVG: 2051400 -37.9512 -23.4315 -15.7544 -23.4315 58.4138 9.9837 -15.7544 9.98374 2.6135 GPRESSAVG: 2051400 -37.2464 -23.3212 -15.891 -22.5826 58.2874 10.4361 -16.1215 8.84264 1.94444 TIMING: 2051400 CPU: 6409.73, 0.00308624/step Wall: 6409.73, 0.00308624/step, 2.5278 hours remaining, 234.050781 MB of memory in use. ENERGY: 2051400 3977.4698 20439.3480 14466.9882 266.9567 -203342.1023 2743.5286 0.0000 0.0000 51789.8895 -109657.9214 297.6372 -161447.8109 -109295.5743 298.1610 -17.7048 5.7788 762216.3109 7.6921 7.6618 PRESSURE: 2051600 189.128 -158.275 -79.4529 -158.274 84.8418 -160.377 -79.4516 -160.376 -351.404 GPRESSURE: 2051600 172.663 -143.327 -53.4742 -67.6681 94.2237 -186.051 -25.432 -139.921 -267.733 PRESSAVG: 2051600 23.7791 -1.41076 -38.6801 -1.41068 -46.9514 -21.5697 -38.6801 -21.5695 2.40029 GPRESSAVG: 2051600 22.1543 0.211391 -38.1835 -1.68401 -47.4528 -22.3112 -39.0404 -20.0533 4.36801 TIMING: 2051600 CPU: 6410.35, 0.00309626/step Wall: 6410.35, 0.00309626/step, 2.53584 hours remaining, 234.050781 MB of memory in use. ENERGY: 2051600 3945.1909 20473.9484 14444.8990 233.4190 -203617.4856 2928.1378 0.0000 0.0000 51982.3545 -109609.5359 298.7433 -161591.8905 -109235.7185 298.4944 -25.8116 -0.2823 762186.4222 -6.9240 -6.9768 PRESSURE: 2051800 -18.433 81.6571 -54.4204 81.6581 -248.926 -84.5985 -54.42 -84.5981 196.972 GPRESSURE: 2051800 87.571 50.7099 -41.924 112.971 -219.926 -49.6133 10.3224 -89.6943 137.951 PRESSAVG: 2051800 26.3826 -0.52284 21.106 -0.522841 -20.8433 -33.35 21.106 -33.35 -9.78935 GPRESSAVG: 2051800 25.6141 -1.10847 19.9583 -0.424118 -18.3155 -30.1492 21.3326 -35.5686 -11.1027 TIMING: 2051800 CPU: 6410.98, 0.00311606/step Wall: 6410.98, 0.00311606/step, 2.55188 hours remaining, 234.050781 MB of memory in use. ENERGY: 2051800 4020.8596 20485.1938 14435.5016 238.6721 -203235.2765 2541.7445 0.0000 0.0000 51966.7741 -109546.5308 298.6538 -161513.3049 -109181.8997 298.8083 -23.4626 1.8653 763176.7076 -1.4167 -1.2680 PRESSURE: 2052000 14.5653 22.789 -89.3768 22.7887 -237.473 105.262 -89.3769 105.262 -416.021 GPRESSURE: 2052000 37.5829 48.5315 -41.5743 34.0443 -185.408 3.65251 -166.638 114.207 -401.955 PRESSAVG: 2052000 -35.1818 33.5075 -12.1691 33.5074 13.9546 -55.4773 -12.1691 -55.4773 5.1044 GPRESSAVG: 2052000 -35.2811 32.6138 -10.7907 32.6708 13.0037 -57.8714 -12.748 -51.5929 5.93802 TIMING: 2052000 CPU: 6411.6, 0.00311815/step Wall: 6411.6, 0.00311815/step, 2.55342 hours remaining, 234.050781 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: 2052000 3972.7351 20386.4256 14385.5623 233.4470 -203593.4450 2759.7559 0.0000 0.0000 52344.2053 -109511.3138 300.8229 -161855.5191 -109142.6827 298.5034 -212.9762 -183.2601 763190.7108 -5.3743 -5.4465 PRESSURE: 2052200 4.0142 90.1235 127.62 90.123 95.8917 143.429 127.62 143.429 -278.678 GPRESSURE: 2052200 72.1516 171.996 167.175 -28.3742 74.4112 108.697 203.543 106.691 -241.231 PRESSAVG: 2052200 30.1926 28.5707 29.181 28.5707 -21.562 8.62807 29.181 8.62806 -0.819101 GPRESSAVG: 2052200 30.9798 29.9894 30.3868 28.8303 -21.0629 9.27253 28.4847 5.83141 -1.8583 TIMING: 2052200 CPU: 6412.22, 0.0031191/step Wall: 6412.22, 0.0031191/step, 2.55403 hours remaining, 234.050781 MB of memory in use. ENERGY: 2052200 4004.7848 20558.5784 14451.0710 254.8968 -203298.7582 2720.1754 0.0000 0.0000 51924.9904 -109384.2615 298.4136 -161309.2519 -109018.8199 299.1540 -59.5907 -31.5562 761329.4030 2.6038 2.6862 LDB: ============= START OF LOAD BALANCING ============== 6424.7 LDB: ============== END OF LOAD BALANCING =============== 6424.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6424.7 LDB: ============= START OF LOAD BALANCING ============== 6425.02 LDB: Largest compute 6998 load 0.029352 is 15.1% of average load 0.194971 LDB: Average compute 0.004399 is 2.3% of average load 0.194971 LDB: TIME 6425.02 LOAD: AVG 0.194971 MAX 0.214219 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.312 MB LDB: TIME 6425.02 LOAD: AVG 0.194971 MAX 0.214219 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.316 MB LDB: TIME 6425.02 LOAD: AVG 0.194971 MAX 0.214219 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.316 MB LDB: ============== END OF LOAD BALANCING =============== 6425.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6425.03 PRESSURE: 2052400 -90.8354 7.88214 195.159 7.8819 -134.899 -98.8851 195.159 -98.8855 183.306 GPRESSURE: 2052400 -5.7488 50.7679 216.943 -13.919 -49.3052 -204.379 88.3658 49.9391 79.5061 PRESSAVG: 2052400 18.3419 0.821564 31.3022 0.821538 9.88927 -7.11176 31.3023 -7.11179 0.913474 GPRESSAVG: 2052400 19.8647 1.4135 29.9416 -1.20781 7.91456 -6.37638 32.1595 -9.12235 1.44445 TIMING: 2052400 CPU: 6412.86, 0.00319407/step Wall: 6412.86, 0.00319408/step, 2.61524 hours remaining, 234.511719 MB of memory in use. ENERGY: 2052400 4023.9531 20596.2270 14448.5608 234.0452 -203756.2282 2825.6503 0.0000 0.0000 52223.5982 -109404.1937 300.1297 -161627.7919 -109055.7447 299.7610 -14.1429 8.1507 760295.3698 9.7149 9.7412 PRESSURE: 2052600 -13.7982 -0.462209 -161.871 -0.461554 26.9782 -293.994 -161.87 -293.994 21.9776 GPRESSURE: 2052600 52.1823 50.6756 -100.666 -66.959 18.8822 -158.358 -229.134 -330.92 43.9559 PRESSAVG: 2052600 62.8384 42.2641 11.0612 42.264 -25.7781 -40.5619 11.0612 -40.5618 -42.9354 GPRESSAVG: 2052600 61.0106 40.6015 11.5463 45.5888 -24.6286 -41.1119 9.54834 -36.9858 -42.6173 TIMING: 2052600 CPU: 6413.49, 0.00312237/step Wall: 6413.49, 0.00312237/step, 2.55636 hours remaining, 234.511719 MB of memory in use. ENERGY: 2052600 3988.3391 20598.9486 14428.2818 247.3151 -203529.9374 2675.3095 0.0000 0.0000 52219.8253 -109371.9180 300.1081 -161591.7433 -109010.0390 299.2576 11.7192 38.3401 761129.8724 -1.9584 -2.0784 PRESSURE: 2052800 31.6048 127.537 5.36681 127.537 -142.876 -34.4604 5.36625 -34.4609 82.2925 GPRESSURE: 2052800 31.9982 53.5694 10.2833 -31.499 -92.9601 17.7333 -127.756 4.90318 128.97 PRESSAVG: 2052800 10.7719 9.71845 6.57598 9.71844 34.3424 13.8083 6.57598 13.8083 19.0898 GPRESSAVG: 2052800 10.5387 9.82407 5.77374 8.03194 33.8428 15.0401 8.65374 12.2566 19.544 TIMING: 2052800 CPU: 6414.11, 0.00312804/step Wall: 6414.11, 0.00312804/step, 2.56082 hours remaining, 234.511719 MB of memory in use. ENERGY: 2052800 3910.9061 20449.9332 14324.0476 246.7098 -202992.8959 2527.8279 0.0000 0.0000 52096.2616 -109437.2096 299.3979 -161533.4713 -109072.6274 299.2641 -9.6595 22.6694 763180.5059 21.4014 21.3085 PRESSURE: 2053000 -315.918 -130.334 123.98 -130.334 -264.243 -82.4986 123.98 -82.4977 -272.772 GPRESSURE: 2053000 -250.77 -14.8091 52.3265 -89.1837 -297.376 -115.062 167.838 -27.2665 -222.227 PRESSAVG: 2053000 -31.9491 -2.89806 14.256 -2.89811 -9.24896 16.2758 14.256 16.2758 -10.4779 GPRESSAVG: 2053000 -30.5283 -3.103 15.4652 -2.5203 -8.81512 16.215 14.1359 16.3814 -12.4508 TIMING: 2053000 CPU: 6414.74, 0.003137/step Wall: 6414.74, 0.00313701/step, 2.56799 hours remaining, 234.511719 MB of memory in use. ENERGY: 2053000 4018.2533 20587.6625 14500.4005 247.1879 -203358.3969 2458.3243 0.0000 0.0000 52172.8462 -109373.7223 299.8381 -161546.5684 -109011.8106 299.5177 -284.3109 -256.7909 763135.2388 -17.2253 -17.2647 PRESSURE: 2053200 -234.284 98.5263 -66.7787 98.5267 -102.072 126.438 -66.7777 126.437 -189.394 GPRESSURE: 2053200 -217.185 57.9348 -87.8213 108.646 -48.216 149.433 -150.166 32.5107 -173.871 PRESSAVG: 2053200 5.26082 -17.2458 -30.4227 -17.2459 17.5308 -81.48 -30.4226 -81.4801 9.24189 GPRESSAVG: 2053200 5.62548 -15.5237 -30.7742 -18.6733 16.9514 -82.244 -30.4609 -80.8248 9.76919 TIMING: 2053200 CPU: 6415.36, 0.00311473/step Wall: 6415.36, 0.00311473/step, 2.54958 hours remaining, 234.511719 MB of memory in use. ENERGY: 2053200 3995.0242 20482.3714 14520.4026 222.9112 -203264.8032 2779.7848 0.0000 0.0000 51864.2544 -109400.0545 298.0646 -161264.3089 -109026.6550 299.5628 -175.2501 -146.4240 764639.4535 10.6779 10.7820 PRESSURE: 2053400 -85.5851 -121.667 180.446 -121.666 -85.5945 -43.351 180.446 -43.351 -114.229 GPRESSURE: 2053400 -119.266 -42.2718 110.726 -108.664 67.9679 42.8316 189.687 -126.829 -135.027 PRESSAVG: 2053400 20.1829 -5.46398 22.0918 -5.46395 -39.5818 -19.835 22.0917 -19.835 9.14038 GPRESSAVG: 2053400 19.2223 -6.6754 22.2857 -2.95447 -38.7129 -18.4046 21.1898 -21.7096 9.11027 TIMING: 2053400 CPU: 6415.99, 0.00311393/step Wall: 6415.99, 0.00311393/step, 2.54875 hours remaining, 234.511719 MB of memory in use. ENERGY: 2053400 4029.5881 20513.7149 14381.4556 266.9150 -203063.8406 2637.6199 0.0000 0.0000 51929.8492 -109304.6978 298.4416 -161234.5470 -108937.1389 298.9932 -95.1361 -62.1083 764219.4504 -3.4195 -3.4601 PRESSURE: 2053600 202.66 -46.428 133.904 -46.4281 -75.5423 198.832 133.904 198.832 -80.3291 GPRESSURE: 2053600 185.693 63.0312 194.971 -5.43899 -47.2587 272.069 104.072 116.611 -12.2604 PRESSAVG: 2053600 5.98305 29.0225 11.1446 29.0225 -23.8341 8.64828 11.1445 8.64831 -3.63249 GPRESSAVG: 2053600 4.8822 28.7551 10.63 26.9156 -23.0473 8.63889 10.0253 9.29319 -3.34395 TIMING: 2053600 CPU: 6416.61, 0.00310335/step Wall: 6416.61, 0.00310335/step, 2.53992 hours remaining, 234.511719 MB of memory in use. ENERGY: 2053600 3965.9150 20370.3170 14436.7805 251.8549 -203092.1033 2702.9531 0.0000 0.0000 52009.6107 -109354.6721 298.8999 -161364.2828 -108998.8355 299.2389 15.5961 42.0581 763004.0138 -7.1612 -7.1697 PRESSURE: 2053800 -170.829 -131.154 -206.267 -131.155 211.089 -209.541 -206.267 -209.542 -205.325 GPRESSURE: 2053800 -191.143 -130.163 -190.046 -282.508 248.912 -279.809 70.5443 -101.122 -161.32 PRESSAVG: 2053800 -28.8668 -24.5815 -34.2553 -24.5815 -2.5275 14.6899 -34.2552 14.6899 3.18787 GPRESSAVG: 2053800 -27.7189 -25.8747 -33.5683 -23.2577 -3.81729 13.5042 -33.4188 16.6747 3.30605 TIMING: 2053800 CPU: 6417.23, 0.00312511/step Wall: 6417.23, 0.00312511/step, 2.55756 hours remaining, 234.511719 MB of memory in use. ENERGY: 2053800 4002.4472 20372.9438 14399.5007 257.3236 -202578.5743 2324.5192 0.0000 0.0000 52029.9520 -109191.8879 299.0168 -161221.8399 -108831.9704 298.9748 -55.0218 -34.5170 762842.8072 -9.4021 -9.4101 PRESSURE: 2054000 -261.988 -23.161 30.1196 -23.1605 -85.005 20.1452 30.1193 20.1445 -354.687 GPRESSURE: 2054000 -134.655 47.9624 48.1784 -13.4145 -69.5215 13.3131 58.0759 -19.6236 -397.465 PRESSAVG: 2054000 -1.73385 -19.8854 -53.8366 -19.8854 21.4197 -0.219452 -53.8365 -0.219521 19.2845 GPRESSAVG: 2054000 -0.446079 -20.146 -54.0335 -18.9304 22.6722 1.71015 -52.6975 -2.92997 17.5466 TIMING: 2054000 CPU: 6417.86, 0.00311972/step Wall: 6417.86, 0.00311972/step, 2.55297 hours remaining, 234.511719 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: 2054000 4049.2133 20342.0508 14464.1792 224.3454 -203179.3855 2799.5031 0.0000 0.0000 51992.9891 -109307.1047 298.8044 -161300.0938 -108946.4740 299.3690 -233.8931 -200.5472 761709.0723 12.9901 13.2576 PRESSURE: 2054200 261.21 239.207 -177.276 239.207 -462.032 169.342 -177.276 169.343 157.805 GPRESSURE: 2054200 231.624 233.33 -105.972 39.4914 -349.746 141.965 -17.6969 195.438 165.048 PRESSAVG: 2054200 38.5353 52.2204 13.8801 52.2205 -36.3357 -2.6041 13.8802 -2.60419 17.8271 GPRESSAVG: 2054200 37.3358 54.6558 13.3172 49.9419 -35.6834 -4.2788 12.6951 -1.06815 18.5961 TIMING: 2054200 CPU: 6418.48, 0.00311704/step Wall: 6418.48, 0.00311704/step, 2.55061 hours remaining, 234.511719 MB of memory in use. ENERGY: 2054200 3959.7223 20559.6567 14474.2306 265.2011 -203299.4973 2836.3994 0.0000 0.0000 51942.4538 -109261.8333 298.5140 -161204.2871 -108901.2379 299.2434 -14.3392 15.6420 762890.7655 6.6756 6.7495 PRESSURE: 2054400 -54.6005 84.2561 98.5006 84.2563 84.0699 -51.7497 98.5005 -51.7504 301.511 GPRESSURE: 2054400 33.3098 52.0393 135.079 68.6655 46.378 38.9786 125.703 -40.7365 312.366 PRESSAVG: 2054400 21.4901 34.9523 -22.0768 34.9522 -19.6143 9.16818 -22.0768 9.1682 0.221511 GPRESSAVG: 2054400 22.5506 32.5448 -22.0826 36.7672 -20.8427 9.31124 -21.757 9.08712 0.554835 TIMING: 2054400 CPU: 6419.1, 0.00310736/step Wall: 6419.1, 0.00310736/step, 2.54251 hours remaining, 234.511719 MB of memory in use. ENERGY: 2054400 4020.4491 20227.8235 14404.0252 252.7205 -203518.9495 2820.6531 0.0000 0.0000 52179.0399 -109614.2382 299.8737 -161793.2781 -109254.6256 299.0630 110.3269 130.6846 762017.0941 0.6991 0.7542 PRESSURE: 2054600 -85.8587 -152.092 266.261 -152.093 -286.237 38.9873 266.26 38.9875 -370.426 GPRESSURE: 2054600 -2.88692 -106.512 318.595 -84.6677 -275.278 105.18 315.704 -86.3125 -401.417 PRESSAVG: 2054600 48.6799 13.1033 8.24077 13.1034 -38.2457 51.6392 8.24075 51.6393 12.9758 GPRESSAVG: 2054600 47.1294 14.9505 10.549 12.3079 -39.1594 50.4366 6.8429 51.5312 15.109 TIMING: 2054600 CPU: 6419.72, 0.00311769/step Wall: 6419.72, 0.00311769/step, 2.55079 hours remaining, 234.511719 MB of memory in use. ENERGY: 2054600 3987.9001 20447.8640 14408.9414 243.3325 -203429.4238 2688.4818 0.0000 0.0000 51793.9104 -109858.9936 297.6603 -161652.9041 -109500.6307 298.3587 -247.5076 -226.5275 761449.5865 7.8033 7.6930 PRESSURE: 2054800 -402.858 145.557 175.881 145.558 -244.024 -194.846 175.88 -194.846 -301.364 GPRESSURE: 2054800 -284.483 139.662 138.931 125.48 -332.556 -182.792 168.403 -181.675 -233.102 PRESSAVG: 2054800 1.22934 -26.6815 70.1146 -26.6815 -16.5555 35.3345 70.1146 35.3345 -26.8535 GPRESSAVG: 2054800 2.14226 -27.7063 68.6564 -27.2606 -16.2511 35.73 70.2576 35.8945 -28.0017 TIMING: 2054800 CPU: 6420.35, 0.00311143/step Wall: 6420.35, 0.00311143/step, 2.5455 hours remaining, 234.511719 MB of memory in use. ENERGY: 2054800 4073.3100 20326.5186 14380.0580 243.3988 -203743.7680 2974.6463 0.0000 0.0000 51888.4573 -109857.3790 298.2037 -161745.8364 -109499.1584 298.1539 -316.0822 -283.3805 762099.2359 -14.0599 -14.0369 PRESSURE: 2055000 240.147 -261.612 4.58888 -261.613 78.5502 29.9705 4.58855 29.9698 -103.92 GPRESSURE: 2055000 323.06 -211.483 7.04359 -149.328 48.9886 114.149 -103.574 -79.8149 -74.8046 PRESSAVG: 2055000 55.123 -50.9187 14.7887 -50.9187 -28.7911 1.55634 14.7887 1.55628 -9.20983 GPRESSAVG: 2055000 55.5425 -49.557 14.4105 -49.9424 -28.4451 1.93831 15.1258 1.18702 -10.053 TIMING: 2055000 CPU: 6420.97, 0.00311791/step Wall: 6420.97, 0.00311791/step, 2.55063 hours remaining, 234.511719 MB of memory in use. ENERGY: 2055000 4010.0630 20379.3560 14449.6573 248.0363 -203791.1553 3015.6106 0.0000 0.0000 52052.5605 -109635.8716 299.1468 -161688.4321 -109274.8984 298.4231 71.5923 99.0812 762860.9307 5.7074 5.6814 PRESSURE: 2055200 132.129 5.56314 16.2667 5.56328 193.806 -98.9094 16.2664 -98.9092 81.2655 GPRESSURE: 2055200 174.229 -20.0118 -29.7219 31.1583 178.018 -91.4911 68.5397 -131.334 131.946 PRESSAVG: 2055200 51.9507 -10.3845 0.728144 -10.3844 -57.9945 -32.7095 0.728104 -32.7095 -5.6919 GPRESSAVG: 2055200 51.3059 -10.8007 0.246487 -10.2734 -57.6539 -32.4114 2.84562 -33.3673 -5.65147 TIMING: 2055200 CPU: 6421.59, 0.0031151/step Wall: 6421.59, 0.0031151/step, 2.54815 hours remaining, 234.511719 MB of memory in use. ENERGY: 2055200 4019.7648 20611.8051 14472.9246 253.0898 -203562.5024 2855.7643 0.0000 0.0000 51732.9602 -109616.1935 297.3100 -161349.1537 -109277.5632 298.7410 135.7335 161.3974 761100.0263 -3.9119 -3.9998 PRESSURE: 2055400 220.548 89.3898 240.594 89.3899 -9.58339 -14.7514 240.594 -14.7509 -296.335 GPRESSURE: 2055400 364.022 116.063 78.6569 -42.1339 -164.551 15.1324 178.074 25.6125 -209.113 PRESSAVG: 2055400 15.3818 -15.3942 44.4621 -15.3941 -23.708 -38.8705 44.4622 -38.8706 5.83427 GPRESSAVG: 2055400 16.1736 -16.1843 46.471 -16.8288 -25.1028 -38.842 40.6384 -38.5556 6.44312 TIMING: 2055400 CPU: 6422.22, 0.0031216/step Wall: 6422.22, 0.0031216/step, 2.55329 hours remaining, 234.511719 MB of memory in use. ENERGY: 2055400 4019.2606 20521.1509 14474.1246 246.1445 -203607.4199 2763.1995 0.0000 0.0000 51830.7314 -109752.8085 297.8719 -161583.5399 -109392.9717 298.3518 -28.4568 -3.2139 761931.4674 -0.8307 -0.8287 PRESSURE: 2055600 -322.813 -100.865 44.801 -100.865 -257.916 211.472 44.801 211.472 -486.54 GPRESSURE: 2055600 -372.576 -87.0974 17.1828 -155.002 -173.737 264.558 39.3539 143.376 -446.741 PRESSAVG: 2055600 -16.2346 -68.0991 -22.3408 -68.0992 -34.2672 -10.1702 -22.3408 -10.1703 6.64609 GPRESSAVG: 2055600 -16.1742 -68.1373 -22.4906 -67.5553 -34.5463 -10.6747 -21.7133 -10.1241 7.02585 TIMING: 2055600 CPU: 6422.85, 0.00314741/step Wall: 6422.85, 0.00314741/step, 2.57423 hours remaining, 234.511719 MB of memory in use. ENERGY: 2055600 4006.1385 20359.8223 14401.6083 238.7301 -203214.1194 2613.0619 0.0000 0.0000 51692.2361 -109902.5221 297.0760 -161594.7582 -109540.0986 297.8535 -355.7568 -331.0181 762581.9429 -14.6186 -14.5649 PRESSURE: 2055800 43.3746 -41.3355 32.1971 -41.3349 -161.477 121.629 32.1968 121.628 270.798 GPRESSURE: 2055800 30.654 -67.3072 -3.43556 -27.7155 -23.5988 89.7701 93.4252 -19.228 222.056 PRESSAVG: 2055800 86.7638 -11.0346 -9.61002 -11.0346 -40.8935 53.1566 -9.61 53.1565 9.5767 GPRESSAVG: 2055800 87.1892 -10.9771 -9.52746 -10.9342 -39.4933 50.7552 -9.27762 55.8303 7.67786 TIMING: 2055800 CPU: 6423.47, 0.00312846/step Wall: 6423.47, 0.00312846/step, 2.55856 hours remaining, 234.511719 MB of memory in use. ENERGY: 2055800 3948.7180 20440.1818 14453.6657 234.5926 -203703.2046 2923.1964 0.0000 0.0000 51893.7203 -109809.1299 298.2339 -161702.8502 -109451.1424 298.0971 50.8985 76.3705 761391.5257 18.4823 18.4579 PRESSURE: 2056000 1.68271 -140.239 200.629 -140.237 212.256 -61.5433 200.628 -61.5434 235.088 GPRESSURE: 2056000 -1.71747 -112.664 141.839 -149.148 292.608 -93.3315 197.454 -29.2661 271.395 PRESSAVG: 2056000 22.9523 -27.9111 1.54016 -27.9112 -51.9281 35.1489 1.54015 35.1489 -1.99623 GPRESSAVG: 2056000 22.0939 -27.3867 1.2338 -26.7637 -51.329 38.2637 0.946489 31.5363 -1.58775 TIMING: 2056000 CPU: 6424.1, 0.00313837/step Wall: 6424.1, 0.00313837/step, 2.56649 hours remaining, 234.511719 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: 2056000 3893.6898 20485.8178 14370.9050 254.0506 -203653.8657 2868.5947 0.0000 0.0000 51838.6984 -109942.1093 297.9177 -161780.8077 -109578.7705 298.0285 149.6754 187.4285 762234.7139 -10.3240 -10.2743 PRESSURE: 2056200 268.287 221.136 -96.5725 221.136 -302.249 -69.4503 -96.5732 -69.45 -120.882 GPRESSURE: 2056200 199.525 177.003 -148.279 209.837 -189.509 -25.0891 -2.56601 72.8271 -90.7263 PRESSAVG: 2056200 38.5812 -4.85804 6.24985 -4.85798 -45.7548 2.4356 6.24983 2.43565 4.99497 GPRESSAVG: 2056200 37.7269 -6.4337 4.63926 -4.18065 -46.2093 1.99677 7.40262 4.18453 6.20537 TIMING: 2056200 CPU: 6424.72, 0.00311535/step Wall: 6424.72, 0.00311535/step, 2.54749 hours remaining, 234.511719 MB of memory in use. ENERGY: 2056200 3981.6204 20517.5357 14442.6661 238.6585 -203313.8456 2507.4273 0.0000 0.0000 51701.2892 -109924.6484 297.1280 -161625.9376 -109561.9355 298.1673 -51.6148 -26.9033 763107.3034 -0.7262 -0.7590 LDB: ============= START OF LOAD BALANCING ============== 6437.2 LDB: ============== END OF LOAD BALANCING =============== 6437.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6437.2 LDB: ============= START OF LOAD BALANCING ============== 6437.51 LDB: Largest compute 7058 load 0.030843 is 15.8% of average load 0.195043 LDB: Average compute 0.004380 is 2.2% of average load 0.195043 LDB: TIME 6437.52 LOAD: AVG 0.195043 MAX 0.213445 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.539 MB LDB: TIME 6437.52 LOAD: AVG 0.195043 MAX 0.213445 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.742 MB LDB: TIME 6437.52 LOAD: AVG 0.195043 MAX 0.213445 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.742 MB LDB: ============== END OF LOAD BALANCING =============== 6437.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6437.53 PRESSURE: 2056400 28.7267 -89.545 52.4055 -89.5453 53.414 -122.211 52.4057 -122.212 -107.882 GPRESSURE: 2056400 70.916 15.6019 135.601 -80.7648 115.821 -186.317 -20.3977 -189.426 -107.383 PRESSAVG: 2056400 20.9949 11.2303 2.54857 11.2303 -34.9597 45.7739 2.54852 45.7739 -0.895678 GPRESSAVG: 2056400 21.8044 13.0463 5.59898 10.0068 -35.3838 46.4468 -0.800573 44.9745 -1.24276 TIMING: 2056400 CPU: 6425.36, 0.00317744/step Wall: 6425.36, 0.00317744/step, 2.59809 hours remaining, 234.570312 MB of memory in use. ENERGY: 2056400 4032.8724 20531.1292 14455.4886 244.8114 -203481.1217 2687.1883 0.0000 0.0000 51795.9538 -109733.6779 297.6721 -161529.6317 -109386.9412 298.1875 -8.5806 26.4513 760476.1099 -4.9535 -4.9407 PRESSURE: 2056600 5.35172 324.628 -53.9236 324.628 156.273 20.8619 -53.9228 20.8612 344.335 GPRESSURE: 2056600 74.4875 259.913 39.4567 232.559 170.507 188.828 -74.6577 85.7946 319.993 PRESSAVG: 2056600 20.957 -4.26489 8.10415 -4.26492 -25.6538 -15.704 8.10419 -15.7041 -12.668 GPRESSAVG: 2056600 21.6644 -5.02805 5.57698 -4.19463 -25.6769 -16.0797 10.5382 -14.139 -13.4461 TIMING: 2056600 CPU: 6425.99, 0.00313345/step Wall: 6425.99, 0.00313345/step, 2.56194 hours remaining, 234.570312 MB of memory in use. ENERGY: 2056600 3990.6785 20523.9262 14473.0247 256.9491 -204203.4714 3154.7210 0.0000 0.0000 51970.0092 -109834.1627 298.6724 -161804.1719 -109488.8594 298.1629 168.6530 188.3289 759362.5745 -5.7883 -5.8195 PRESSURE: 2056800 -155.93 -65.9083 129.409 -65.9089 -408.302 356.775 129.41 356.776 101.575 GPRESSURE: 2056800 -129.334 33.6742 80.7728 -136.87 -374.626 316.294 171.556 274.073 134.281 PRESSAVG: 2056800 27.7633 26.3223 51.0626 26.3222 -38.0022 -4.6255 51.0627 -4.62548 24.4041 GPRESSAVG: 2056800 28.615 25.3994 51.3283 27.8405 -38.6651 -5.06228 52.0783 -4.97121 24.8963 TIMING: 2056800 CPU: 6426.61, 0.00313427/step Wall: 6426.61, 0.00313427/step, 2.56244 hours remaining, 234.570312 MB of memory in use. ENERGY: 2056800 3930.5214 20511.5662 14420.7664 255.2283 -203492.7312 2696.9315 0.0000 0.0000 52026.8116 -109650.9059 298.9988 -161677.7175 -109291.5887 298.3325 -154.2191 -123.2267 762049.4395 4.7217 4.9487 PRESSURE: 2057000 -280.387 101.353 -84.1504 101.353 -97.1701 249.775 -84.1505 249.777 14.3655 GPRESSURE: 2057000 -182.796 -14.6626 -90.3574 210.011 -86.1349 232.162 92.1504 152.43 0.829037 PRESSAVG: 2057000 -0.76965 16.813 42.5733 16.8131 -16.7855 -10.9373 42.5733 -10.9372 -6.67089 GPRESSAVG: 2057000 -2.43458 16.6172 43.4635 15.454 -16.1311 -10.398 42.4996 -12.0903 -6.50017 TIMING: 2057000 CPU: 6427.24, 0.00313585/step Wall: 6427.24, 0.00313585/step, 2.56356 hours remaining, 234.570312 MB of memory in use. ENERGY: 2057000 3957.2144 20389.2322 14453.1067 244.6518 -203292.9529 2817.5763 0.0000 0.0000 51720.3649 -109710.8065 297.2376 -161431.1715 -109347.2197 298.5546 -121.0639 -89.3674 760969.2324 -8.0753 -8.3553 PRESSURE: 2057200 220.743 -114.636 186.834 -114.636 -220.554 74.4036 186.834 74.404 -139.186 GPRESSURE: 2057200 252.975 17.3204 159.304 -49.9868 -164.045 32.1915 165.519 86.8516 -120.933 PRESSAVG: 2057200 36.4687 24.5706 7.40876 24.5706 -45.7679 -47.5713 7.4088 -47.5712 -16.005 GPRESSAVG: 2057200 37.2618 25.5026 7.51923 25.9988 -46.2873 -45.4627 7.3684 -48.5994 -15.6282 TIMING: 2057200 CPU: 6427.86, 0.00311214/step Wall: 6427.86, 0.00311214/step, 2.544 hours remaining, 234.570312 MB of memory in use. ENERGY: 2057200 4001.7762 20387.2484 14447.4222 263.2252 -203775.5400 2883.7216 0.0000 0.0000 52219.6150 -109572.5314 300.1068 -161792.1464 -109207.3900 298.6209 -46.3323 -10.6677 758753.2112 -8.4347 -8.2179 PRESSURE: 2057400 101.047 112.263 135.511 112.264 -552.467 16.3954 135.512 16.3954 -20.2538 GPRESSURE: 2057400 39.2389 158.813 176.347 112.842 -404.98 7.09522 37.8889 32.9914 -0.926884 PRESSAVG: 2057400 -1.71162 6.23043 90.6295 6.23043 -6.24149 6.4864 90.6296 6.48647 -6.40654 GPRESSAVG: 2057400 -2.4328 6.50848 90.2877 6.0545 -6.40661 5.28984 90.0488 6.37717 -6.10949 TIMING: 2057400 CPU: 6428.49, 0.00312091/step Wall: 6428.49, 0.00312091/step, 2.551 hours remaining, 234.570312 MB of memory in use. ENERGY: 2057400 4050.4723 20518.4823 14404.7875 256.1166 -203308.5730 2678.2234 0.0000 0.0000 52129.8322 -109270.6587 299.5909 -161400.4909 -108900.5028 299.4298 -157.2246 -122.2227 763812.7888 -4.7865 -4.9830 PRESSURE: 2057600 -70.5109 156.427 -108.591 156.428 -302.468 -184.673 -108.592 -184.673 -402.987 GPRESSURE: 2057600 -137.716 125.306 -135.595 195.492 -215.273 -183.006 -54.0028 -201.696 -349.101 PRESSAVG: 2057600 42.4689 43.9998 40.1891 43.9997 -41.722 8.14003 40.1891 8.14003 21.745 GPRESSAVG: 2057600 41.7566 43.0484 40.0384 45.0348 -40.9249 6.41144 40.3766 11.3058 21.578 TIMING: 2057600 CPU: 6429.11, 0.00310549/step Wall: 6429.11, 0.00310549/step, 2.53822 hours remaining, 234.570312 MB of memory in use. ENERGY: 2057600 3977.8359 20623.8882 14394.1959 210.8719 -203488.5521 2869.2014 0.0000 0.0000 52132.7696 -109279.7891 299.6077 -161412.5588 -108920.0959 299.3705 -258.6554 -234.0301 762371.7230 7.4973 7.4699 PRESSURE: 2057800 8.48242 -31.9631 -133.504 -31.962 -280.877 74.0054 -133.504 74.0068 -84.7233 GPRESSURE: 2057800 26.3384 -139.816 -108.375 -90.3235 -237.902 -11.2037 -140.798 0.569737 -52.5876 PRESSAVG: 2057800 5.01715 40.6885 73.7001 40.6886 8.84643 3.6584 73.7001 3.65834 -21.9448 GPRESSAVG: 2057800 6.30171 41.1805 73.6795 38.2696 9.03127 4.83497 73.9949 -0.633588 -23.4862 TIMING: 2057800 CPU: 6429.73, 0.00311247/step Wall: 6429.73, 0.00311247/step, 2.54376 hours remaining, 234.570312 MB of memory in use. ENERGY: 2057800 4015.1057 20727.5212 14458.2092 218.1401 -203613.9981 2621.0670 0.0000 0.0000 52149.9293 -109424.0255 299.7064 -161573.9549 -109068.3721 299.0661 -119.0394 -88.0505 761017.5202 -2.6938 -2.7177 PRESSURE: 2058000 -208.63 94.6604 41.4591 94.662 144.942 -176.383 41.4594 -176.383 -312.308 GPRESSURE: 2058000 -145.295 29.7896 64.6985 80.6613 128.405 -224.072 69.5496 -60.1271 -282.702 PRESSAVG: 2058000 -17.3594 14.0675 -23.2643 14.0675 15.8967 -42.1512 -23.2643 -42.1512 5.70863 GPRESSAVG: 2058000 -18.3475 14.1568 -23.6895 13.8768 15.2627 -41.1879 -23.7167 -39.6321 6.98214 TIMING: 2058000 CPU: 6430.35, 0.00308511/step Wall: 6430.35, 0.00308511/step, 2.52122 hours remaining, 234.570312 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: 2058000 4021.3692 20505.6082 14414.8630 237.1395 -203358.1178 2814.0043 0.0000 0.0000 51927.1106 -109438.0229 298.4258 -161365.1335 -109067.6368 298.7645 -125.3322 -99.8641 762806.9287 1.4153 1.2991 PRESSURE: 2058200 298.491 -254.937 52.7586 -254.937 19.01 395.494 52.7589 395.494 352.919 GPRESSURE: 2058200 254.943 -83.6391 -3.02698 -195.988 139.717 410.766 18.662 190.989 371.846 PRESSAVG: 2058200 -1.01878 15.0744 -8.08824 15.0744 42.5683 -7.71197 -8.08828 -7.71193 -24.1158 GPRESSAVG: 2058200 -1.56896 13.2153 -6.37988 16.9039 42.5673 -8.82985 -9.40833 -7.31812 -23.1423 TIMING: 2058200 CPU: 6430.97, 0.00310087/step Wall: 6430.97, 0.00310087/step, 2.53393 hours remaining, 234.570312 MB of memory in use. ENERGY: 2058200 3978.2794 20657.2694 14399.9911 256.0126 -203608.1199 2873.2483 0.0000 0.0000 52197.2155 -109246.1036 299.9781 -161443.3190 -108893.8785 299.5884 223.4735 255.5021 761129.5813 5.8113 5.9520 PRESSURE: 2058400 -244.923 -9.90904 58.1077 -9.90895 -387.113 164.415 58.1073 164.415 63.2821 GPRESSURE: 2058400 -213.19 -46.1937 81.1378 -26.8888 -326.071 237.522 78.3503 -24.6261 51.6389 PRESSAVG: 2058400 21.8225 33.3096 47.6937 33.3095 -36.1496 -47.4947 47.6937 -47.4947 5.6625 GPRESSAVG: 2058400 22.6751 37.2016 45.867 31.8984 -36.3028 -47.6445 50.2841 -49.1341 4.89754 TIMING: 2058400 CPU: 6431.59, 0.00310208/step Wall: 6431.59, 0.00310208/step, 2.53475 hours remaining, 234.570312 MB of memory in use. ENERGY: 2058400 4004.2223 20565.8785 14341.1704 265.5941 -203231.7295 2554.1445 0.0000 0.0000 51974.8304 -109525.8893 298.7001 -161500.7197 -109161.1545 299.2950 -189.5846 -162.5405 762044.2856 -2.8882 -2.9101 PRESSURE: 2058600 197.11 134.364 286.966 134.363 -172.202 -170.771 286.966 -170.772 87.2403 GPRESSURE: 2058600 234.634 98.6192 262.729 24.2587 -200.392 -257.628 236.569 -59.3735 167.113 PRESSAVG: 2058600 50.495 12.6323 -11.8838 12.6322 -55.1198 -12.3624 -11.8838 -12.3623 6.93797 GPRESSAVG: 2058600 49.7091 11.1264 -11.1107 13.1674 -55.0039 -11.7758 -12.3585 -9.92782 7.39305 TIMING: 2058600 CPU: 6432.21, 0.00311569/step Wall: 6432.21, 0.00311569/step, 2.54569 hours remaining, 234.570312 MB of memory in use. ENERGY: 2058600 3978.8758 20608.9185 14455.7872 256.2930 -203118.0888 2720.4253 0.0000 0.0000 51963.9544 -109133.8346 298.6376 -161097.7890 -108763.8030 299.2604 37.3828 67.1186 762655.4024 0.7711 0.6994 PRESSURE: 2058800 164.782 -41.1914 93.4733 -41.1913 -201.626 91.1246 93.4731 91.1247 -487.426 GPRESSURE: 2058800 168.07 -14.2759 -24.9947 -146.86 -84.5455 19.8679 90.1292 60.3192 -502.409 PRESSAVG: 2058800 20.5057 58.1333 3.18806 58.1334 8.89029 -28.2842 3.18808 -28.2842 -10.8854 GPRESSAVG: 2058800 20.5869 56.9748 1.97763 58.56 8.57907 -28.0771 2.81842 -30.2213 -10.2501 TIMING: 2058800 CPU: 6432.84, 0.0031304/step Wall: 6432.84, 0.00313041/step, 2.55754 hours remaining, 234.570312 MB of memory in use. ENERGY: 2058800 4053.0429 20593.2335 14393.8160 248.3966 -203041.3504 2481.7519 0.0000 0.0000 51949.8213 -109321.2882 298.5563 -161271.1095 -108966.7791 299.1148 -174.7567 -139.6282 762528.3520 6.1702 6.3053 PRESSURE: 2059000 -63.8987 117.015 -58.2118 117.013 -274.054 -64.0569 -58.2117 -64.0561 174.281 GPRESSURE: 2059000 38.309 91.9154 -14.5869 106.811 -339.231 -107.436 -119.524 29.9699 215.199 PRESSAVG: 2059000 35.89 -0.7951 -28.9142 -0.795018 -9.7922 25.6152 -28.9142 25.6153 -0.360381 GPRESSAVG: 2059000 37.6876 -0.102977 -28.1374 -1.15309 -9.12207 25.7046 -29.864 24.1921 -2.26182 TIMING: 2059000 CPU: 6433.46, 0.00312459/step Wall: 6433.46, 0.00312459/step, 2.55262 hours remaining, 234.570312 MB of memory in use. ENERGY: 2059000 3987.8386 20808.3447 14431.8517 216.7624 -203247.9177 2394.1878 0.0000 0.0000 51913.8335 -109495.0989 298.3495 -161408.9324 -109133.2717 299.0456 -54.5572 -28.5746 760742.3799 8.5791 8.7679 PRESSURE: 2059200 -11.0749 197.087 -191.502 197.087 32.2527 -28.672 -191.503 -28.6704 -342.227 GPRESSURE: 2059200 56.6703 231.762 -146.312 -14.2477 -4.67016 -104.329 -143.53 -80.3393 -298.603 PRESSAVG: 2059200 93.0493 41.2612 -38.7765 41.2612 -63.5476 -5.86578 -38.7765 -5.86577 15.8691 GPRESSAVG: 2059200 92.6526 42.8597 -38.7138 41.7325 -64.5176 -4.77596 -36.5308 -5.86857 16.7291 TIMING: 2059200 CPU: 6434.09, 0.0031213/step Wall: 6434.09, 0.0031213/step, 2.54975 hours remaining, 234.570312 MB of memory in use. ENERGY: 2059200 3989.9563 20456.4675 14450.3391 231.1008 -203287.9162 2571.3015 0.0000 0.0000 52061.2839 -109527.4671 299.1969 -161588.7510 -109155.8578 298.9793 -107.0164 -82.2011 760424.7193 15.1236 14.9547 PRESSURE: 2059400 -168.127 126.679 -58.4228 126.678 293.282 -12.2025 -58.4221 -12.2024 360.392 GPRESSURE: 2059400 -134.682 64.0385 -120.393 59.5296 325.663 53.8793 -101.118 -12.5584 355.7 PRESSAVG: 2059400 28.3689 56.5926 -20.1146 56.5926 -37.4103 7.06987 -20.1146 7.06983 -4.70793 GPRESSAVG: 2059400 27.5293 56.6122 -19.4777 54.9126 -37.5011 6.13488 -21.4263 7.18857 -4.71357 TIMING: 2059400 CPU: 6434.71, 0.00312438/step Wall: 6434.71, 0.00312438/step, 2.5521 hours remaining, 234.570312 MB of memory in use. ENERGY: 2059400 3955.4852 20528.1170 14390.7068 235.3563 -203660.2049 2960.5462 0.0000 0.0000 51960.0481 -109629.9454 298.6151 -161589.9935 -109260.3716 298.9474 161.8489 182.2266 760282.5549 -4.5831 -4.8951 PRESSURE: 2059600 112.308 13.3438 -33.9866 13.3427 -292.016 116.166 -33.987 116.166 -477.782 GPRESSURE: 2059600 47.4239 33.9262 -74.8011 94.1204 -99.1994 69.5268 -42.9408 165.269 -505.713 PRESSAVG: 2059600 39.0993 -13.6315 -19.1538 -13.6315 -47.2942 -37.3646 -19.1539 -37.3646 0.668187 GPRESSAVG: 2059600 38.3457 -13.2761 -19.9751 -13.0823 -46.5184 -38.2181 -19.5477 -37.696 1.00158 TIMING: 2059600 CPU: 6435.33, 0.00310639/step Wall: 6435.33, 0.00310639/step, 2.53723 hours remaining, 234.570312 MB of memory in use. ENERGY: 2059600 3901.3831 20482.0214 14400.9207 234.8432 -203643.9158 2850.6614 0.0000 0.0000 52052.6750 -109721.4110 299.1474 -161774.0860 -109362.1588 298.7577 -219.1632 -185.8296 761527.4240 -2.5089 -2.3904 PRESSURE: 2059800 -105.29 -4.4208 -100.627 -4.42052 -325.496 2.74951 -100.628 2.74948 -430.215 GPRESSURE: 2059800 -174.137 154.823 -29.3174 -76.2344 -190.396 -18.4724 -175.649 -42.4513 -387.736 PRESSAVG: 2059800 25.5584 6.70697 6.65548 6.70697 17.8037 0.292684 6.65546 0.29271 -10.1505 GPRESSAVG: 2059800 26.3487 7.74616 8.03955 4.28549 17.3168 1.6321 6.30379 1.63996 -10.2457 TIMING: 2059800 CPU: 6435.96, 0.00312855/step Wall: 6435.96, 0.00312855/step, 2.55516 hours remaining, 234.570312 MB of memory in use. ENERGY: 2059800 4011.2246 20601.9166 14398.6730 226.5753 -203762.0065 2788.2771 0.0000 0.0000 52191.2373 -109544.1026 299.9438 -161735.3399 -109187.3096 299.0465 -287.0002 -250.7560 762743.2403 11.0705 11.1399 PRESSURE: 2060000 -89.5166 121.988 -245.845 121.989 11.1 264.103 -245.846 264.102 411.259 GPRESSURE: 2060000 -25.7599 10.3962 -272.536 74.8118 52.0464 210.321 -205.311 258.055 374.786 PRESSAVG: 2060000 -45.0544 8.35307 -25.315 8.35309 25.0165 13.1064 -25.315 13.1064 -6.80879 GPRESSAVG: 2060000 -44.3352 4.85602 -24.5321 10.3885 25.3675 12.7718 -26.3443 14.2741 -7.67718 TIMING: 2060000 CPU: 6436.58, 0.003119/step Wall: 6436.58, 0.003119/step, 2.54718 hours remaining, 234.570312 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: 2060000 4043.4841 20571.3389 14420.9461 259.6563 -203500.4333 2851.9954 0.0000 0.0000 52085.8553 -109267.1573 299.3381 -161353.0125 -108914.6564 298.7491 110.9476 133.6907 763774.2131 -8.9489 -8.8816 PRESSURE: 2060200 218.218 -6.65473 -48.9865 -6.65471 -165.637 114.508 -48.9867 114.507 101.288 GPRESSURE: 2060200 102.605 159.849 -72.5352 8.79577 49.7154 37.2959 -99.4863 88.2726 91.1145 PRESSAVG: 2060200 30.1112 -13.8832 -19.5174 -13.8832 -21.6227 27.0868 -19.5175 27.0869 -8.98571 GPRESSAVG: 2060200 30.258 -12.3521 -19.7897 -14.3912 -22.5413 25.3873 -19.0749 26.8012 -8.15169 TIMING: 2060200 CPU: 6437.2, 0.00311105/step Wall: 6437.2, 0.00311105/step, 2.54052 hours remaining, 234.570312 MB of memory in use. ENERGY: 2060200 4047.1671 20347.4870 14468.5564 230.7995 -202999.8928 2592.8459 0.0000 0.0000 52112.3588 -109200.6780 299.4904 -161313.0368 -108840.2136 299.0089 51.2897 81.1448 763124.0533 -0.1657 -0.1450 LDB: ============= START OF LOAD BALANCING ============== 6449.68 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6449.68 LDB: =============== DONE WITH MIGRATION ================ 6449.68 LDB: ============= START OF LOAD BALANCING ============== 6450 LDB: Largest compute 6972 load 0.029918 is 15.3% of average load 0.195107 LDB: Average compute 0.004417 is 2.3% of average load 0.195107 LDB: TIME 6450 LOAD: AVG 0.195107 MAX 0.213758 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.051 MB LDB: TIME 6450 LOAD: AVG 0.195107 MAX 0.213758 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.145 MB LDB: TIME 6450 LOAD: AVG 0.195107 MAX 0.213758 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.145 MB LDB: ============== END OF LOAD BALANCING =============== 6450 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6450.01 PRESSURE: 2060400 -124.194 126.312 269.538 126.313 -37.7916 -174.425 269.539 -174.425 -187.836 GPRESSURE: 2060400 -181.863 80.1769 191.22 138.788 27.9662 -184.585 143.702 -97.5542 -102.347 PRESSAVG: 2060400 -2.24278 38.6828 38.0631 38.6828 20.2553 -6.69533 38.0631 -6.69526 0.36846 GPRESSAVG: 2060400 -3.27742 39.344 36.9486 38.2637 20.6104 -5.9124 39.1238 -7.89808 1.24242 TIMING: 2060400 CPU: 6437.84, 0.00318865/step Wall: 6437.84, 0.00318865/step, 2.60371 hours remaining, 236.238281 MB of memory in use. ENERGY: 2060400 4061.4287 20529.0096 14473.1766 263.3681 -203386.1916 2752.7821 0.0000 0.0000 52009.8030 -109296.6236 298.9011 -161306.4266 -108947.6990 299.4567 -116.6074 -85.4146 762261.4614 6.1270 6.1918 PRESSURE: 2060600 289.318 -114.413 91.5752 -114.414 108.319 -212.145 91.5752 -212.144 -195.708 GPRESSURE: 2060600 375.535 -55.8375 42.0647 -66.1678 175.428 -243.605 163.097 -266.376 -249.851 PRESSAVG: 2060600 29.3832 36.1008 39.8723 36.1008 7.35415 -3.78873 39.8723 -3.78879 24.8022 GPRESSAVG: 2060600 30.2859 35.5642 38.9969 37.1457 7.74005 -3.00262 42.154 -4.04323 23.6664 TIMING: 2060600 CPU: 6438.47, 0.00313842/step Wall: 6438.47, 0.00313842/step, 2.56252 hours remaining, 236.238281 MB of memory in use. ENERGY: 2060600 3922.3222 20577.1356 14493.3488 256.9616 -203880.4320 3014.0302 0.0000 0.0000 52203.7877 -109412.8459 300.0159 -161616.6336 -109047.0270 299.4670 67.3098 100.3704 761769.7429 20.5132 20.5641 PRESSURE: 2060800 -12.5777 -122.788 -91.2651 -122.788 297.562 -131.788 -91.2652 -131.789 -4.92129 GPRESSURE: 2060800 26.5825 -224.846 -9.70007 -48.7041 349.906 -198.097 -124.146 -108.598 -10.5751 PRESSAVG: 2060800 -15.5224 -28.4268 56.4346 -28.4268 29.3208 1.9864 56.4345 1.9863 11.9651 GPRESSAVG: 2060800 -16.2008 -29.1294 56.072 -27.5947 30.6922 2.4057 55.2025 0.83653 11.4655 TIMING: 2060800 CPU: 6439.1, 0.00313438/step Wall: 6439.1, 0.00313438/step, 2.55905 hours remaining, 236.238281 MB of memory in use. ENERGY: 2060800 3958.3865 20411.2938 14394.1049 250.8768 -203241.3149 2972.6949 0.0000 0.0000 52195.3486 -109058.6096 299.9674 -161253.9581 -108696.9894 299.4400 93.3544 121.9711 763984.6483 8.5879 8.6523 PRESSURE: 2061000 -182.883 21.2525 128.081 21.2523 -0.901582 112.316 128.082 112.315 282.655 GPRESSURE: 2061000 -161.331 93.4154 35.67 71.3158 68.0168 204.058 163.836 22.6713 262.784 PRESSAVG: 2061000 -67.9293 -7.52415 19.1748 -7.52419 65.2283 -16.0041 19.1748 -16.0041 14.5599 GPRESSAVG: 2061000 -68.0075 -5.98602 21.8186 -7.85824 63.81 -18.5589 18.4371 -14.1167 15.8934 TIMING: 2061000 CPU: 6439.72, 0.00312884/step Wall: 6439.72, 0.00312884/step, 2.55435 hours remaining, 236.238281 MB of memory in use. ENERGY: 2061000 3962.0330 20713.0755 14452.2868 247.8428 -203327.4924 2660.5217 0.0000 0.0000 52286.7835 -109004.9490 300.4929 -161291.7325 -108640.7688 299.8260 32.9566 56.4900 762246.5012 3.9529 3.8986 PRESSURE: 2061200 -100.686 -135.395 243.35 -135.395 -321.121 96.693 243.351 96.6931 -165.796 GPRESSURE: 2061200 -98.1547 -39.1865 254.533 -126.917 -260.967 -24.9608 201.053 19.5889 -165.588 PRESSAVG: 2061200 18.3061 1.43758 45.2618 1.4376 -13.1085 72.0533 45.2617 72.0532 -31.725 GPRESSAVG: 2061200 18.4781 0.865057 43.9124 -0.0292322 -11.4547 74.4132 45.6106 70.0602 -33.7203 TIMING: 2061200 CPU: 6440.35, 0.00312407/step Wall: 6440.35, 0.00312407/step, 2.55028 hours remaining, 236.238281 MB of memory in use. ENERGY: 2061200 3966.9168 20582.0626 14407.8729 239.9676 -202726.6655 2511.7655 0.0000 0.0000 52207.2440 -108810.8361 300.0357 -161018.0802 -108450.5430 299.8816 -195.8677 -174.9034 763025.8074 -8.8425 -8.8990 PRESSURE: 2061400 -307.115 18.0721 -4.1777 18.0727 -202.439 15.6962 -4.17665 15.695 175.015 GPRESSURE: 2061400 -249.511 -17.8958 -48.9609 125.127 -185.658 127.503 -8.40477 -8.54224 188.185 PRESSAVG: 2061400 26.1062 25.5474 -14.3652 25.5475 -18.3179 18.4099 -14.3651 18.4098 -5.31091 GPRESSAVG: 2061400 25.7799 24.9617 -14.1996 26.633 -19.7587 19.1045 -15.6863 17.7745 -3.83201 TIMING: 2061400 CPU: 6440.97, 0.00313023/step Wall: 6440.97, 0.00313023/step, 2.55514 hours remaining, 236.238281 MB of memory in use. ENERGY: 2061400 4055.4502 20534.6024 14415.9565 244.2956 -203039.6112 2927.7834 0.0000 0.0000 52180.0320 -108681.4910 299.8794 -160861.5230 -108318.3963 300.1687 -111.5129 -82.3281 763210.5737 0.8258 0.7297 PRESSURE: 2061600 -76.7772 142.492 57.8585 142.492 -308.883 -91.2085 57.8579 -91.2084 315.775 GPRESSURE: 2061600 -38.5553 99.415 115.459 112.931 -182.679 -160.729 -93.9663 87.1217 254.047 PRESSAVG: 2061600 51.971 -38.316 -44.376 -38.316 -61.9912 -11.8272 -44.3759 -11.8272 24.8264 GPRESSAVG: 2061600 52.231 -39.6377 -43.8534 -39.2948 -61.3854 -15.1935 -42.5875 -9.3038 23.9016 TIMING: 2061600 CPU: 6441.61, 0.00316149/step Wall: 6441.61, 0.00316149/step, 2.58047 hours remaining, 236.238281 MB of memory in use. ENERGY: 2061600 4030.4419 20422.7871 14432.8506 246.9007 -202882.1736 2782.0074 0.0000 0.0000 52185.1434 -108782.0426 299.9087 -160967.1860 -108419.2215 299.8851 -23.2950 10.9377 764673.7560 4.9354 4.9157 PRESSURE: 2061800 141.352 -141.335 52.8453 -141.336 31.2025 -122.291 52.8459 -122.291 -48.3862 GPRESSURE: 2061800 119.423 -97.9609 26.1326 -135.032 33.4396 -84.7915 46.2438 -79.5836 60.7345 PRESSAVG: 2061800 -10.6966 -27.9026 -17.624 -27.9025 -0.475496 19.7685 -17.6241 19.7684 -9.05837 GPRESSAVG: 2061800 -10.3073 -27.3079 -18.2532 -27.5098 -1.51658 22.0551 -18.9847 19.781 -8.71307 TIMING: 2061800 CPU: 6442.24, 0.00314881/step Wall: 6442.24, 0.00314881/step, 2.56996 hours remaining, 236.238281 MB of memory in use. ENERGY: 2061800 3960.9795 20504.9740 14436.9346 252.9155 -203197.8852 2884.0176 0.0000 0.0000 52065.9461 -109092.1181 299.2237 -161158.0641 -108728.4218 299.6628 41.3895 71.1991 763068.8850 -6.7435 -6.8457 PRESSURE: 2062000 -5.17452 -166.502 25.9351 -166.502 -53.216 191.234 25.9353 191.235 -128.993 GPRESSURE: 2062000 94.4729 -99.8365 -40.6064 -90.8531 -50.6418 148.34 100.488 132.459 -141.718 PRESSAVG: 2062000 -37.026 -42.9803 -60.1895 -42.9803 -9.00539 10.5271 -60.1895 10.5271 -5.13567 GPRESSAVG: 2062000 -37.2197 -43.8105 -61.0937 -40.5531 -8.49965 9.56384 -59.6001 9.92769 -5.43809 TIMING: 2062000 CPU: 6442.87, 0.00315228/step Wall: 6442.87, 0.00315228/step, 2.57261 hours remaining, 236.238281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2062000 3952.7977 20542.4727 14399.8770 249.5986 -202797.0205 2536.1755 0.0000 0.0000 52106.5623 -109009.5369 299.4571 -161116.0992 -108648.5131 299.8156 -62.4610 -32.6288 762803.7057 -17.0557 -17.0525 PRESSURE: 2062200 108.803 54.0785 -52.1703 54.0787 -41.6764 106.792 -52.1695 106.792 142.965 GPRESSURE: 2062200 25.5608 54.872 -98.9976 -47.2151 38.3842 80.0089 -108.717 68.8886 222.594 PRESSAVG: 2062200 37.6093 -3.38007 -0.138804 -3.38005 22.9938 -1.65862 -0.138788 -1.65866 0.243438 GPRESSAVG: 2062200 36.5939 -3.07936 1.10894 -3.88256 22.9656 -1.73294 -2.11136 -1.35692 0.638286 TIMING: 2062200 CPU: 6443.5, 0.00315117/step Wall: 6443.5, 0.00315117/step, 2.57153 hours remaining, 236.238281 MB of memory in use. ENERGY: 2062200 3882.7687 20311.5107 14401.3645 241.4946 -203021.6899 2872.8825 0.0000 0.0000 52161.3973 -109150.2716 299.7723 -161311.6689 -108785.2324 299.6667 70.0306 95.5128 762925.6000 20.2822 20.0659 PRESSURE: 2062400 -128.228 83.0338 63.8827 83.0324 226.411 162.319 63.8829 162.32 513.591 GPRESSURE: 2062400 -58.9394 41.4812 35.527 125.039 236.847 170.54 53.3029 300.811 511.244 PRESSAVG: 2062400 12.1694 23.0988 -31.9397 23.0988 18.3839 86.1757 -31.9397 86.1757 23.5216 GPRESSAVG: 2062400 13.6691 23.0804 -32.5297 20.8947 16.9155 87.2836 -31.1985 86.2933 22.8161 TIMING: 2062400 CPU: 6444.13, 0.00314677/step Wall: 6444.13, 0.00314677/step, 2.56777 hours remaining, 236.238281 MB of memory in use. ENERGY: 2062400 3967.4910 20498.9824 14393.2824 250.5310 -202849.3391 2921.2755 0.0000 0.0000 51802.8369 -109014.9399 297.7116 -160817.7768 -108661.2640 299.4853 203.9247 229.7173 762615.1254 18.0250 17.8002 PRESSURE: 2062600 127.876 -200.633 98.8485 -200.633 117.002 134.329 98.8473 134.329 -32.2776 GPRESSURE: 2062600 53.1672 -169.422 17.1413 -159.719 294.043 98.5214 -20.0873 84.1306 -46.6932 PRESSAVG: 2062600 -71.4431 -31.1757 35.1637 -31.1758 9.83399 45.6527 35.1636 45.6527 9.06027 GPRESSAVG: 2062600 -71.8475 -31.5774 35.9551 -31.0513 9.16392 45.1173 36.6536 45.7271 10.4303 TIMING: 2062600 CPU: 6444.75, 0.00311289/step Wall: 6444.75, 0.00311289/step, 2.53995 hours remaining, 236.238281 MB of memory in use. ENERGY: 2062600 4000.5638 20409.3971 14405.3507 237.5112 -203654.2073 3032.1696 0.0000 0.0000 52427.7925 -109141.4224 301.3032 -161569.2149 -108792.1113 299.3814 70.8668 100.1723 762555.4601 -17.5163 -17.4178 PRESSURE: 2062800 -342.284 -174.394 -57.4999 -174.393 -154.687 202.158 -57.5004 202.157 107.475 GPRESSURE: 2062800 -294.882 -230.132 -77.5447 -199.944 -108.945 146.913 -78.8258 329.859 100.721 PRESSAVG: 2062800 2.27732 9.97298 -6.41923 9.97298 19.5137 26.3125 -6.41919 26.3125 3.29029 GPRESSAVG: 2062800 1.90416 9.21559 -5.17906 10.7511 22.1109 25.5885 -8.62296 26.7443 1.2069 TIMING: 2062800 CPU: 6445.37, 0.00311418/step Wall: 6445.37, 0.00311418/step, 2.54083 hours remaining, 236.238281 MB of memory in use. ENERGY: 2062800 4070.5884 20472.4695 14411.4408 241.0303 -202988.7105 2694.8357 0.0000 0.0000 52063.2741 -109035.0716 299.2084 -161098.3457 -108679.9517 299.4921 -129.8322 -101.0352 763321.4488 8.3605 8.4073 PRESSURE: 2063000 -22.2914 -173.67 18.0143 -173.67 -214.96 -56.3759 18.0132 -56.3767 346.146 GPRESSURE: 2063000 25.0539 -194.353 22.3221 -106.513 -205.153 -21.7899 76.6948 22.0281 365.59 PRESSAVG: 2063000 -26.7532 -64.2175 27.8672 -64.2174 -14.9302 36.5325 27.8672 36.5325 -15.1112 GPRESSAVG: 2063000 -27.6455 -63.5174 26.8198 -64.5241 -15.1799 38.541 28.9858 35.35 -14.0076 TIMING: 2063000 CPU: 6445.99, 0.00311306/step Wall: 6445.99, 0.00311306/step, 2.53974 hours remaining, 236.238281 MB of memory in use. ENERGY: 2063000 4022.6647 20430.4683 14344.8759 245.6329 -202757.6998 2699.5232 0.0000 0.0000 52192.6174 -108821.9174 299.9517 -161014.5348 -108444.4826 299.8527 36.2983 61.8301 762360.4349 -18.9316 -18.9443 PRESSURE: 2063200 -171.998 32.2791 -38.0637 32.2796 -231.881 -260.039 -38.0641 -260.041 -13.6709 GPRESSURE: 2063200 -124.776 51.1103 -81.4284 -1.53032 -213.309 -252.196 -21.8248 -202.482 17.4823 PRESSAVG: 2063200 12.1676 -35.1141 20.0737 -35.1141 -22.7539 24.2924 20.0736 24.2924 15.3412 GPRESSAVG: 2063200 12.8066 -35.5713 21.4524 -34.4942 -23.3838 22.9279 22.1294 24.231 15.5935 TIMING: 2063200 CPU: 6446.62, 0.00311081/step Wall: 6446.62, 0.00311081/step, 2.53773 hours remaining, 236.238281 MB of memory in use. ENERGY: 2063200 3908.6576 20523.6315 14454.6451 235.3724 -202894.0208 2693.1454 0.0000 0.0000 52201.3709 -108877.1980 300.0020 -161078.5689 -108511.7562 299.8343 -139.1833 -106.8675 763415.8058 1.5850 1.6721 PRESSURE: 2063400 -71.7123 -64.0601 333.614 -64.0607 -192.757 147.985 333.613 147.984 -287.864 GPRESSURE: 2063400 -0.165727 25.3229 288.93 -32.4506 -117.736 160.139 227.1 142.559 -329.133 PRESSAVG: 2063400 -15.1965 -46.3 -9.61549 -46.3 -21.5118 -58.625 -9.61545 -58.625 -11.5144 GPRESSAVG: 2063400 -14.5312 -45.6299 -10.5073 -46.3711 -21.2574 -58.4057 -11.3075 -58.4177 -12.4959 TIMING: 2063400 CPU: 6447.24, 0.0031301/step Wall: 6447.24, 0.0031301/step, 2.55329 hours remaining, 236.238281 MB of memory in use. ENERGY: 2063400 3950.3794 20568.2744 14445.1044 232.1821 -202786.3763 2456.3726 0.0000 0.0000 52167.5269 -108966.5365 299.8075 -161134.0633 -108604.2242 299.8621 -184.1112 -149.0117 764467.8139 -16.0742 -16.0948 PRESSURE: 2063600 -206.554 56.5789 -5.67903 56.5787 -111.567 125.17 -5.67834 125.171 116.785 GPRESSURE: 2063600 -189.917 55.8927 -61.6503 71.8168 -42.4833 70.6248 61.1377 181.469 102.825 PRESSAVG: 2063600 10.9615 9.60275 -11.7167 9.60275 -49.516 -8.34756 -11.7167 -8.34756 -9.30639 GPRESSAVG: 2063600 9.55649 10.3109 -12.758 9.33848 -48.9909 -8.15302 -10.4092 -8.73191 -8.7309 TIMING: 2063600 CPU: 6447.87, 0.00314178/step Wall: 6447.87, 0.00314178/step, 2.56265 hours remaining, 236.238281 MB of memory in use. ENERGY: 2063600 3930.5613 20480.9228 14497.4656 237.4427 -202882.2546 2609.3719 0.0000 0.0000 52016.8109 -109109.6794 298.9413 -161126.4903 -108752.2418 299.4890 -67.1120 -43.1916 763423.5255 -15.9537 -16.0551 PRESSURE: 2063800 -163.632 -118.17 -107.006 -118.17 49.9944 32.0958 -107.007 32.0957 336.171 GPRESSURE: 2063800 -98.0831 8.51361 -182.748 -294.464 47.465 -51.4652 -130.72 215.175 334.491 PRESSAVG: 2063800 1.25655 9.59704 26.6445 9.59709 -21.4097 5.11047 26.6444 5.11043 16.12 GPRESSAVG: 2063800 1.74665 10.4096 26.83 7.864 -21.6123 6.16762 24.9817 7.96488 15.7231 TIMING: 2063800 CPU: 6448.49, 0.0031237/step Wall: 6448.49, 0.00312369/step, 2.54772 hours remaining, 236.238281 MB of memory in use. ENERGY: 2063800 3994.0373 20460.4829 14376.2402 252.6382 -203091.3518 2772.6710 0.0000 0.0000 52137.9484 -109097.3338 299.6375 -161235.2822 -108737.5321 299.1723 74.1775 94.6243 763016.5857 -1.3444 -1.3808 PRESSURE: 2064000 -72.4178 57.0657 -37.9603 57.0653 -258.312 -180.174 -37.96 -180.175 -129 GPRESSURE: 2064000 6.27617 -96.791 9.3965 45.1708 -145.456 -111.064 -90.4905 -123.307 -223.092 PRESSAVG: 2064000 24.9477 -14.6609 -24.3185 -14.6609 -52.58 -30.1455 -24.3185 -30.1454 -8.1911 GPRESSAVG: 2064000 26.2219 -16.8666 -23.9593 -14.0514 -53.929 -31.2088 -24.8093 -30.0104 -8.82634 TIMING: 2064000 CPU: 6449.12, 0.0031299/step Wall: 6449.12, 0.0031299/step, 2.55261 hours remaining, 236.238281 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: 2064000 3970.5388 20567.2720 14339.6590 254.4873 -202894.4990 2507.6241 0.0000 0.0000 52042.9001 -109212.0177 299.0913 -161254.9178 -108852.0075 299.5517 -153.2435 -120.7575 764038.5593 -11.9412 -12.1778 PRESSURE: 2064200 -11.2414 -105.697 65.0108 -105.697 63.0168 -62.0001 65.0109 -62.0005 -577.654 GPRESSURE: 2064200 5.00918 -99.8167 28.2309 -95.2816 108.842 -68.8428 67.379 -55.4625 -542.328 PRESSAVG: 2064200 -49.3623 -11.9385 37.6614 -11.9385 65.0963 -8.85293 37.6614 -8.85284 -8.3541 GPRESSAVG: 2064200 -50.2226 -12.0288 38.2897 -10.6359 66.7819 -8.39792 39.649 -12.0058 -8.68676 TIMING: 2064200 CPU: 6449.74, 0.00311602/step Wall: 6449.74, 0.00311602/step, 2.54111 hours remaining, 236.238281 MB of memory in use. ENERGY: 2064200 4014.5759 20415.3826 14433.6252 245.0378 -203227.8132 2836.7972 0.0000 0.0000 52189.0611 -109093.3334 299.9313 -161282.3945 -108735.9918 299.4084 -175.2930 -142.8258 762019.1121 2.4600 2.6242 LDB: ============= START OF LOAD BALANCING ============== 6462.22 LDB: ============== END OF LOAD BALANCING =============== 6462.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6462.22 LDB: ============= START OF LOAD BALANCING ============== 6462.54 LDB: Largest compute 7058 load 0.031279 is 16.0% of average load 0.195008 LDB: Average compute 0.004411 is 2.3% of average load 0.195008 LDB: TIME 6462.54 LOAD: AVG 0.195008 MAX 0.214907 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.293 MB LDB: TIME 6462.54 LOAD: AVG 0.195008 MAX 0.214907 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.297 MB LDB: TIME 6462.54 LOAD: AVG 0.195008 MAX 0.214907 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.297 MB LDB: ============== END OF LOAD BALANCING =============== 6462.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6462.55 PRESSURE: 2064400 -122.342 -165.847 -51.225 -165.848 -233.858 -52.4378 -51.2249 -52.4379 -108.419 GPRESSURE: 2064400 -59.7836 -175.12 -59.1546 -194.337 -212.983 -186.683 32.7905 15.4922 -112.498 PRESSAVG: 2064400 69.9433 -23.3573 -22.1866 -23.3573 -42.5444 -44.9652 -22.1866 -44.9652 22.5164 GPRESSAVG: 2064400 68.8655 -23.3917 -21.4716 -23.0897 -44.0581 -45.2235 -27.0451 -44.1252 24.3013 TIMING: 2064400 CPU: 6450.38, 0.00319658/step Wall: 6450.38, 0.00319658/step, 2.60664 hours remaining, 235.535156 MB of memory in use. ENERGY: 2064400 4097.9997 20481.3599 14439.5987 240.0957 -203261.6874 2747.1069 0.0000 0.0000 51861.3370 -109394.1895 298.0478 -161255.5265 -109025.1813 299.1212 -154.8728 -128.4216 762507.3785 16.6384 16.3696 PRESSURE: 2064600 -100.567 -248.835 -54.4228 -248.835 149.252 148.045 -54.4231 148.045 26.2416 GPRESSURE: 2064600 -50.282 -177.256 -6.5024 -109.882 94.9066 79.1213 -169.254 168.655 128.973 PRESSAVG: 2064600 32.6842 -71.7995 -36.7641 -71.7995 -28.9223 -21.1546 -36.7641 -21.1546 9.2266 GPRESSAVG: 2064600 33.9624 -71.3738 -37.9917 -72.7125 -29.5395 -20.8724 -33.9698 -21.4908 8.61436 TIMING: 2064600 CPU: 6451.01, 0.00314017/step Wall: 6451.01, 0.00314017/step, 2.56046 hours remaining, 235.601562 MB of memory in use. ENERGY: 2064600 3989.6924 20475.3327 14411.3720 251.3985 -203280.9818 2840.2471 0.0000 0.0000 51996.2111 -109316.7280 298.8229 -161312.9391 -108961.3801 298.7487 24.9754 57.8657 764361.6113 4.3295 4.3457 PRESSURE: 2064800 -173.713 128.842 99.483 128.842 -176.349 99.6586 99.4836 99.6571 -85.2656 GPRESSURE: 2064800 -162.332 170.924 123.457 80.9214 -151.444 29.4493 64.7008 141.028 -37.7984 PRESSAVG: 2064800 73.1327 -79.2508 -6.8106 -79.2508 5.06807 45.3292 -6.81054 45.3292 -0.112651 GPRESSAVG: 2064800 72.8264 -80.1337 -5.9544 -77.9306 5.8209 45.3574 -8.64427 46.5218 -0.725436 TIMING: 2064800 CPU: 6451.64, 0.00316154/step Wall: 6451.64, 0.00316154/step, 2.57771 hours remaining, 235.601562 MB of memory in use. ENERGY: 2064800 3941.4429 20639.4573 14467.1065 264.2249 -202958.6142 2353.6721 0.0000 0.0000 51943.5774 -109349.1331 298.5205 -161292.7105 -108987.3225 298.9056 -145.1091 -117.1914 762638.0097 26.0294 25.9739 PRESSURE: 2065000 -194.641 -71.2686 -118.461 -71.2691 144.282 -190.16 -118.461 -190.161 18.5198 GPRESSURE: 2065000 -96.5325 -168.609 -45.7235 -10.1132 138.836 -245.865 -167.934 -37.5537 3.96832 PRESSAVG: 2065000 -4.23612 -59.2842 -3.49095 -59.2842 24.9138 4.83529 -3.49096 4.83534 12.0208 GPRESSAVG: 2065000 -4.07522 -59.2293 -4.04619 -60.2278 24.1786 4.33639 -2.03131 4.63011 13.0195 TIMING: 2065000 CPU: 6452.27, 0.00312249/step Wall: 6452.27, 0.00312249/step, 2.5457 hours remaining, 235.601562 MB of memory in use. ENERGY: 2065000 4055.3086 20566.3803 14435.4386 251.8497 -203273.4525 2780.6651 0.0000 0.0000 51960.6066 -109223.2036 298.6183 -161183.8103 -108872.0500 299.2282 -10.6131 15.4238 762610.7762 10.8995 11.0410 PRESSURE: 2065200 329.277 -21.3528 -156.521 -21.3528 -87.3237 53.1003 -156.521 53.0996 14.8379 GPRESSURE: 2065200 257.331 25.9707 -152.403 -43.675 -12.8035 -0.592247 -73.2811 99.5805 95.6888 PRESSAVG: 2065200 -76.5071 -12.3595 -25.08 -12.3596 68.9294 -26.5015 -25.0799 -26.5015 -22.9931 GPRESSAVG: 2065200 -77.331 -12.2115 -25.0831 -11.9226 68.4392 -25.8056 -25.9822 -27.6201 -22.1126 TIMING: 2065200 CPU: 6452.89, 0.0031156/step Wall: 6452.89, 0.0031156/step, 2.53991 hours remaining, 235.601562 MB of memory in use. ENERGY: 2065200 3935.6079 20651.9101 14493.6856 233.3282 -203376.1169 2850.0434 0.0000 0.0000 52069.2671 -109142.2746 299.2428 -161211.5417 -108790.3023 299.7476 85.5970 113.4055 764289.7505 -10.1903 -10.3348 PRESSURE: 2065400 -261.448 -12.5571 -138.584 -12.5578 -362.533 -30.2871 -138.585 -30.2857 -10.2085 GPRESSURE: 2065400 -231.67 -114.099 -178.959 102.95 -362.454 -40.2992 -156.767 -4.38897 42.8169 PRESSAVG: 2065400 15.4329 4.77877 6.02776 4.77872 -24.6092 -8.87826 6.02772 -8.87822 15.2443 GPRESSAVG: 2065400 15.2167 5.8189 3.46856 4.36452 -24.0748 -7.99658 8.31905 -9.79218 14.7724 TIMING: 2065400 CPU: 6453.51, 0.00311955/step Wall: 6453.51, 0.00311955/step, 2.54295 hours remaining, 235.601562 MB of memory in use. ENERGY: 2065400 4055.1423 20532.8549 14448.0819 241.8840 -203281.9839 2836.9988 0.0000 0.0000 52095.2901 -109071.7318 299.3923 -161167.0219 -108707.1810 299.6862 -211.3967 -183.7691 764294.7508 2.0226 1.9714 PRESSURE: 2065600 -250.525 53.6799 48.4879 53.6803 -298.121 88.0073 48.4876 88.0069 248.915 GPRESSURE: 2065600 -197.625 103.838 38.641 29.6118 -228.553 210.417 -40.8954 12.8096 196.663 PRESSAVG: 2065600 68.9893 -5.80358 -19.2664 -5.80356 -30.5583 -2.29959 -19.2664 -2.29968 -11.957 GPRESSAVG: 2065600 69.8569 -6.45504 -17.029 -8.42768 -30.1847 -3.50105 -19.1375 -1.36921 -13.4546 TIMING: 2065600 CPU: 6454.14, 0.00312682/step Wall: 6454.14, 0.00312682/step, 2.54871 hours remaining, 235.601562 MB of memory in use. ENERGY: 2065600 3929.2196 20408.7129 14449.8756 247.4738 -202881.9576 2419.3950 0.0000 0.0000 52290.6059 -109136.6748 300.5148 -161427.2807 -108762.9745 299.4965 -99.9104 -76.5053 763273.1871 8.8247 8.7392 PRESSURE: 2065800 -48.5277 -257.591 123.504 -257.591 34.8583 215.872 123.504 215.873 -494.265 GPRESSURE: 2065800 9.95843 -176.833 168.051 -214.936 -34.7587 216.58 -20.1942 304.666 -405.958 PRESSAVG: 2065800 -32.2113 -23.7806 -2.52356 -23.7806 -16.8783 28.6969 -2.52355 28.6969 1.69244 GPRESSAVG: 2065800 -34.3976 -21.5142 -2.31668 -22.2641 -16.5912 27.6067 -3.80823 30.0226 3.63923 TIMING: 2065800 CPU: 6454.77, 0.00313995/step Wall: 6454.77, 0.00313995/step, 2.55924 hours remaining, 235.601562 MB of memory in use. ENERGY: 2065800 3991.4058 20553.7535 14441.6636 230.3027 -203020.3303 2481.3235 0.0000 0.0000 51978.6970 -109343.1841 298.7223 -161321.8811 -108986.7839 299.0584 -169.3115 -143.5862 762917.8382 -15.7990 -15.7832 PRESSURE: 2066000 130.159 -1.52172 222.247 -1.52144 77.6492 -23.0738 222.247 -23.0736 98.7412 GPRESSURE: 2066000 178.188 -4.28952 151.02 -44.1223 64.9554 23.9283 311.444 -25.4785 162.015 PRESSAVG: 2066000 40.6677 -59.7947 -22.1307 -59.7948 -39.4831 -28.8972 -22.1306 -28.8972 0.318453 GPRESSAVG: 2066000 41.8145 -59.9018 -23.3456 -60.114 -40.1545 -28.5572 -19.8151 -30.0568 -0.206766 TIMING: 2066000 CPU: 6455.39, 0.00312387/step Wall: 6455.39, 0.00312387/step, 2.54595 hours remaining, 235.601562 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: 2066000 4028.4297 20435.6402 14442.1815 225.8114 -203241.9531 2846.6222 0.0000 0.0000 51978.2405 -109285.0275 298.7197 -161263.2681 -108925.0614 298.8718 102.1830 135.0525 762057.1115 0.5010 0.4844 PRESSURE: 2066200 -386.596 -6.36136 30.7206 -6.36153 -145.218 -80.1645 30.7202 -80.1645 -149.473 GPRESSURE: 2066200 -244.449 -33.5007 -32.5422 40.6186 -172.447 -72.8498 37.8042 -81.2525 -167.212 PRESSAVG: 2066200 21.9029 15.1771 -3.06698 15.1771 12.4061 -8.21104 -3.06701 -8.21115 -12.3424 GPRESSAVG: 2066200 20.6368 13.7408 -3.41611 16.9576 13.6132 -9.18347 -3.65228 -6.69391 -12.281 TIMING: 2066200 CPU: 6456.02, 0.00313169/step Wall: 6456.02, 0.00313169/step, 2.55215 hours remaining, 235.601562 MB of memory in use. ENERGY: 2066200 3947.6464 20499.0277 14505.1286 251.5816 -203343.2102 2628.9624 0.0000 0.0000 52184.5718 -109326.2917 299.9055 -161510.8635 -108970.5921 298.9356 -227.0957 -194.7028 762476.9019 7.3222 7.3230 PRESSURE: 2066400 217.298 -193.438 -111.099 -193.437 337.509 177.721 -111.099 177.72 -174.564 GPRESSURE: 2066400 315.013 -161.552 -160.272 -185.264 322.949 101.992 -174.541 132.86 -161.624 PRESSAVG: 2066400 -15.4578 -19.3428 7.22371 -19.3428 -5.11116 -1.91934 7.22367 -1.91935 15.2022 GPRESSAVG: 2066400 -14.5418 -19.6088 7.59346 -22.0908 -5.05519 -1.84244 7.6134 -2.5835 14.0856 TIMING: 2066400 CPU: 6456.64, 0.00312782/step Wall: 6456.64, 0.00312782/step, 2.54882 hours remaining, 235.601562 MB of memory in use. ENERGY: 2066400 3944.5641 20463.2814 14421.5700 233.9340 -203299.7127 2858.7309 0.0000 0.0000 51981.8430 -109395.7893 298.7404 -161377.6323 -109047.3944 298.8153 126.7474 158.7795 762700.9701 -1.7889 -1.8371 PRESSURE: 2066600 84.9132 -138.74 116.544 -138.74 38.6822 45.4467 116.544 45.447 3.29931 GPRESSURE: 2066600 103.482 -73.8341 84.1659 -131.709 -13.368 -71.802 220.086 -60.6672 109.582 PRESSAVG: 2066600 4.87434 -16.3906 -8.88512 -16.3907 -9.77164 -2.59695 -8.88521 -2.59695 -7.77072 GPRESSAVG: 2066600 5.7595 -16.3501 -8.30519 -14.2267 -11.6078 -2.53036 -9.60079 -3.91057 -6.72282 TIMING: 2066600 CPU: 6457.27, 0.00312616/step Wall: 6457.27, 0.00312616/step, 2.5473 hours remaining, 235.601562 MB of memory in use. ENERGY: 2066600 3925.9331 20517.7932 14384.2080 251.6501 -203349.2135 2693.3602 0.0000 0.0000 52103.0519 -109473.2169 299.4370 -161576.2688 -109114.0746 298.7994 42.2982 66.5654 763575.6746 -4.2227 -4.1904 PRESSURE: 2066800 66.0338 46.0827 155.246 46.0837 -94.7215 -101.415 155.245 -101.416 283.832 GPRESSURE: 2066800 95.7693 38.8074 189.754 78.406 -10.6123 -59.5565 138.502 -3.41624 249.496 PRESSAVG: 2066800 59.2399 -18.8095 16.702 -18.8094 -89.1884 17.0549 16.702 17.0549 17.0817 GPRESSAVG: 2066800 58.4755 -18.2232 15.5545 -20.4497 -87.4652 17.7161 16.6337 17.2358 16.3914 TIMING: 2066800 CPU: 6457.9, 0.00312958/step Wall: 6457.9, 0.00312958/step, 2.54991 hours remaining, 235.601562 MB of memory in use. ENERGY: 2066800 3925.9661 20554.9655 14448.6784 259.8313 -203125.0617 2717.3359 0.0000 0.0000 51744.0023 -109474.2822 297.3735 -161218.2845 -109117.8559 298.6444 85.0481 111.5510 763174.9008 -4.2889 -4.1994 PRESSURE: 2067000 378.576 -115.299 58.7933 -115.3 8.31376 19.8662 58.7933 19.8669 458.338 GPRESSURE: 2067000 419.08 -134.695 -9.4728 -104.17 9.83705 17.605 50.8711 101.203 492.228 PRESSAVG: 2067000 19.7824 -29.7859 -3.25066 -29.7859 -28.0217 -37.283 -3.25066 -37.283 13.9059 GPRESSAVG: 2067000 19.2069 -29.8149 -3.06027 -28.1996 -27.8039 -36.7031 -3.77319 -36.7635 14.5957 TIMING: 2067000 CPU: 6458.52, 0.00313499/step Wall: 6458.52, 0.00313499/step, 2.55414 hours remaining, 235.601562 MB of memory in use. ENERGY: 2067000 4000.9724 20461.6526 14376.1909 240.5064 -203411.4799 2659.4480 0.0000 0.0000 51931.0613 -109741.6483 298.4485 -161672.7096 -109381.3970 298.6948 281.7429 307.0483 762208.1001 1.8889 1.9996 PRESSURE: 2067200 31.2882 -85.2073 -236.597 -85.207 -238.738 65.1321 -236.598 65.1334 134.929 GPRESSURE: 2067200 50.8476 63.5076 -183.412 -44.5107 -115.522 142.98 -287.469 -104.951 67.8758 PRESSAVG: 2067200 3.73285 -40.5159 6.84781 -40.5159 25.6933 19.1887 6.8478 19.1887 -1.34726 GPRESSAVG: 2067200 3.67095 -40.5336 6.93595 -42.4155 25.7777 19.5036 7.87991 18.454 -1.6999 TIMING: 2067200 CPU: 6459.15, 0.00312852/step Wall: 6459.15, 0.00312852/step, 2.5487 hours remaining, 235.601562 MB of memory in use. ENERGY: 2067200 3949.7211 20404.7024 14353.2096 238.0707 -203393.9141 2898.1007 0.0000 0.0000 51891.1858 -109658.9237 298.2194 -161550.1096 -109299.2301 298.2109 -24.1736 1.0672 763978.3543 9.3596 9.2496 PRESSURE: 2067400 -91.7562 -38.151 164.945 -38.151 -135.337 -171.514 164.945 -171.515 -41.3774 GPRESSURE: 2067400 -3.22005 -4.81548 130.923 0.185466 -178.955 -38.1469 131.882 -202.69 -17.0089 PRESSAVG: 2067400 4.88719 20.8783 -6.44684 20.8782 -61.4005 -26.6051 -6.44678 -26.6051 -22.7959 GPRESSAVG: 2067400 6.08162 22.8266 -6.63273 20.5466 -62.4633 -26.1729 -8.73285 -27.9324 -22.4326 TIMING: 2067400 CPU: 6459.77, 0.00311399/step Wall: 6459.77, 0.00311399/step, 2.53669 hours remaining, 235.601562 MB of memory in use. ENERGY: 2067400 3985.5683 20352.4333 14371.5640 249.2921 -203504.5809 2821.5138 0.0000 0.0000 52210.7612 -109513.4483 300.0560 -161724.2094 -109145.9651 297.8943 -89.4904 -66.3948 763888.3697 -26.4364 -26.2714 PRESSURE: 2067600 -144.315 211.84 -66.2054 211.839 -45.2263 -37.9699 -66.2048 -37.9698 -41.1742 GPRESSURE: 2067600 -112.687 179.376 -90.2678 115.373 -2.50983 -37.44 35.9324 1.6532 -45.3546 PRESSAVG: 2067600 -19.7285 -8.32826 -32.1948 -8.32829 13.2508 8.33775 -32.1947 8.33773 17.6954 GPRESSAVG: 2067600 -20.2506 -10.1109 -30.7021 -7.61665 15.309 6.12237 -29.4249 10.1217 16.2686 TIMING: 2067600 CPU: 6460.4, 0.0031242/step Wall: 6460.4, 0.00312419/step, 2.54483 hours remaining, 235.601562 MB of memory in use. ENERGY: 2067600 3994.8598 20549.8820 14378.8160 243.1635 -203569.5498 2780.9135 0.0000 0.0000 51849.9374 -109771.9776 297.9823 -161621.9150 -109418.0265 298.7108 -76.9051 -53.5170 763618.1519 3.7393 3.7757 PRESSURE: 2067800 -350.516 -133.485 -20.8365 -133.483 -347.319 115.468 -20.837 115.467 -142.691 GPRESSURE: 2067800 -312.012 -91.9451 56.5092 -51.9878 -267.855 81.1977 -3.51397 176.034 -182.193 PRESSAVG: 2067800 -16.5397 -22.8214 -18.8737 -22.8214 44.2486 33.5852 -18.8738 33.5853 -0.232811 GPRESSAVG: 2067800 -16.6328 -23.5633 -19.8074 -20.7745 43.1473 35.3452 -21.0643 31.6102 0.333575 TIMING: 2067800 CPU: 6461.02, 0.00312874/step Wall: 6461.02, 0.00312874/step, 2.54836 hours remaining, 235.601562 MB of memory in use. ENERGY: 2067800 3989.1637 20463.5201 14469.5768 245.1282 -203477.7037 2725.5681 0.0000 0.0000 51967.8144 -109616.9324 298.6597 -161584.7468 -109261.0732 298.2975 -280.1752 -254.0202 764550.9877 9.1587 8.9493 PRESSURE: 2068000 -220.652 -73.6553 114.975 -73.6552 287.601 -128.729 114.975 -128.729 -120.48 GPRESSURE: 2068000 -155.321 -69.3506 101.368 -73.1863 294.623 -84.4084 6.06687 -225.987 -119.081 PRESSAVG: 2068000 -29.991 -26.6798 -25.8872 -26.6799 29.5768 -44.7031 -25.8871 -44.7031 -4.34782 GPRESSAVG: 2068000 -31.0749 -24.4846 -26.0573 -28.6982 29.7124 -44.8074 -24.63 -43.1217 -4.017 TIMING: 2068000 CPU: 6461.65, 0.00313188/step Wall: 6461.65, 0.00313188/step, 2.55074 hours remaining, 235.601562 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: 2068000 3976.0143 20532.3763 14401.5574 260.0228 -203275.6198 2815.4440 0.0000 0.0000 51639.9486 -109650.2562 296.7755 -161290.2049 -109290.4227 298.5959 -17.8437 6.7404 764057.7987 -1.5873 -1.7932 PRESSURE: 2068200 -329.723 -61.7177 -82.7579 -61.7187 -257.331 77.3423 -82.7581 77.3428 -295.114 GPRESSURE: 2068200 -293.466 -156.787 -87.8429 11.0782 -95.7489 88.0292 -77.8302 116.181 -411.318 PRESSAVG: 2068200 -10.6098 -19.016 -21.6722 -19.016 79.1522 -35.7643 -21.6723 -35.7644 17.1579 GPRESSAVG: 2068200 -9.88673 -21.2355 -20.4382 -19.3266 78.6052 -37.1134 -20.8802 -35.6472 16.7328 TIMING: 2068200 CPU: 6462.27, 0.00312205/step Wall: 6462.27, 0.00312205/step, 2.54257 hours remaining, 235.601562 MB of memory in use. ENERGY: 2068200 4056.5840 20445.5345 14362.7222 228.4077 -203145.4632 2607.4336 0.0000 0.0000 51963.2349 -109481.5464 298.6334 -161444.7813 -109126.4584 298.8210 -294.0557 -266.8442 761203.9684 28.5667 28.4837 LDB: ============= START OF LOAD BALANCING ============== 6474.75 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6474.75 LDB: =============== DONE WITH MIGRATION ================ 6474.75 LDB: ============= START OF LOAD BALANCING ============== 6475.06 LDB: Largest compute 7007 load 0.030964 is 15.9% of average load 0.195147 LDB: Average compute 0.004372 is 2.2% of average load 0.195147 LDB: TIME 6475.07 LOAD: AVG 0.195147 MAX 0.215664 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.824 MB LDB: TIME 6475.07 LOAD: AVG 0.195147 MAX 0.215664 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.824 MB LDB: TIME 6475.07 LOAD: AVG 0.195147 MAX 0.215664 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.824 MB LDB: ============== END OF LOAD BALANCING =============== 6475.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6475.08 PRESSURE: 2068400 -203.103 33.5285 -71.6069 33.5293 -331.58 -94.7406 -71.6068 -94.7404 210.267 GPRESSURE: 2068400 -202.387 52.7027 -23.1316 79.8882 -218.984 -68.2255 37.2786 -85.3834 166.99 PRESSAVG: 2068400 2.95831 -53.5088 -4.42158 -53.5088 30.2475 27.1953 -4.42158 27.1953 -0.914981 GPRESSAVG: 2068400 3.40778 -50.5795 -5.03853 -53.9639 30.4439 29.5046 -5.02074 26.9159 -1.45401 TIMING: 2068400 CPU: 6462.91, 0.00318349/step Wall: 6462.91, 0.00318349/step, 2.59242 hours remaining, 235.535156 MB of memory in use. ENERGY: 2068400 4036.5119 20536.4697 14475.5203 266.3225 -203178.1505 2621.8989 0.0000 0.0000 51867.4748 -109373.9524 298.0831 -161241.4272 -109011.5582 298.8063 -108.1383 -84.7936 761773.7594 10.7636 10.7992 PRESSURE: 2068600 112.833 78.974 14.0685 78.9745 5.04811 -3.62885 14.0686 -3.62995 -42.0357 GPRESSURE: 2068600 117.481 113.48 -12.6315 112.905 177.686 -175.129 -82.7417 -63.5525 -148.468 PRESSAVG: 2068600 -1.29227 -27.8361 -14.0763 -27.8361 -18.6981 -6.47606 -14.0764 -6.47609 14.788 GPRESSAVG: 2068600 -2.45335 -31.1257 -13.2858 -25.4157 -18.1279 -7.6898 -13.6728 -7.57575 15.5434 TIMING: 2068600 CPU: 6463.54, 0.00315687/step Wall: 6463.54, 0.00315687/step, 2.57057 hours remaining, 235.738281 MB of memory in use. ENERGY: 2068600 4049.5961 20670.0972 14445.3237 247.1013 -203261.7643 2676.1334 0.0000 0.0000 52089.6325 -109083.8801 299.3598 -161173.5127 -108730.6363 299.2195 25.2819 48.8996 761401.0306 -1.7341 -1.6793 PRESSURE: 2068800 125.366 -79.8584 -59.5818 -79.8581 390.007 -49.461 -59.583 -49.4595 169.691 GPRESSURE: 2068800 117.307 -13.0159 -86.6473 -35.7516 453.783 -66.9216 -111.602 -4.63137 207.189 PRESSAVG: 2068800 15.5845 -15.4617 -33.1271 -15.4617 34.2829 -77.115 -33.127 -77.1151 3.10423 GPRESSAVG: 2068800 16.653 -16.3402 -33.7496 -15.8496 35.1523 -78.0065 -31.8649 -75.6854 1.9055 TIMING: 2068800 CPU: 6464.17, 0.00316456/step Wall: 6464.17, 0.00316456/step, 2.57666 hours remaining, 235.738281 MB of memory in use. ENERGY: 2068800 3967.6786 20611.7681 14399.8201 256.9547 -203448.7993 3061.8985 0.0000 0.0000 52046.2454 -109104.4339 299.1105 -161150.6793 -108738.1072 299.6926 228.3547 259.4264 760634.7556 17.6572 17.9036 PRESSURE: 2069000 22.1714 114.643 111.917 114.643 -372.007 -77.4199 111.917 -77.4198 -496.403 GPRESSURE: 2069000 119.792 200.013 174.288 80.6559 -359.832 -144.47 43.1077 54.7565 -496.737 PRESSAVG: 2069000 12.4611 -102.413 -31.6353 -102.413 1.41706 11.7671 -31.6353 11.7671 -1.05183 GPRESSAVG: 2069000 10.9305 -102.349 -32.7432 -101.813 1.07325 12.7021 -32.6672 11.2753 0.617608 TIMING: 2069000 CPU: 6464.8, 0.00313654/step Wall: 6464.8, 0.00313654/step, 2.55367 hours remaining, 235.738281 MB of memory in use. ENERGY: 2069000 4029.1217 20549.9847 14417.3301 258.5775 -203062.3112 2600.1126 0.0000 0.0000 52141.3709 -109065.8137 299.6572 -161207.1846 -108695.8727 299.3499 -282.0796 -245.5924 761616.7998 4.2754 4.2071 PRESSURE: 2069200 -69.2301 -114.558 -38.8124 -114.558 -85.8628 124.647 -38.8126 124.646 -239.868 GPRESSURE: 2069200 74.1996 -154.623 -66.2873 -83.2385 -95.9453 111.385 -95.1172 183.173 -270.611 PRESSAVG: 2069200 -3.42555 -96.9679 34.4729 -96.9679 1.2559 6.57777 34.473 6.57781 21.8744 GPRESSAVG: 2069200 -1.43889 -96.4557 36.1065 -98.5312 -0.967648 6.69864 33.9488 7.3767 21.3571 TIMING: 2069200 CPU: 6465.42, 0.00311209/step Wall: 6465.42, 0.00311209/step, 2.53359 hours remaining, 235.738281 MB of memory in use. ENERGY: 2069200 4025.6083 20560.0178 14430.0759 226.2970 -203171.1213 2792.1597 0.0000 0.0000 52142.8249 -108994.1377 299.6655 -161136.9626 -108634.6501 299.5959 -131.6537 -97.4524 763313.2889 6.5683 6.3169 PRESSURE: 2069400 -88.4997 40.878 99.572 40.8793 -138.601 251.364 99.572 251.364 -323.424 GPRESSURE: 2069400 -13.5809 46.7572 124.749 -2.41918 -174.049 200.41 12.15 147.638 -285.159 PRESSAVG: 2069400 22.0106 -10.9838 30.0535 -10.9838 0.152205 52.3798 30.0535 52.3798 -5.83415 GPRESSAVG: 2069400 21.3702 -12.5145 28.5136 -10.0891 1.25145 51.4423 30.6721 51.2583 -6.96418 TIMING: 2069400 CPU: 6466.04, 0.00309178/step Wall: 6466.04, 0.00309178/step, 2.51688 hours remaining, 235.738281 MB of memory in use. ENERGY: 2069400 4117.0812 20611.1694 14404.1609 241.9519 -203272.9180 2767.8315 0.0000 0.0000 51990.0453 -109140.6778 298.7875 -161130.7232 -108783.6737 299.4278 -183.5080 -157.5963 762162.5656 5.4429 5.2192 PRESSURE: 2069600 -88.8026 117.118 155.684 117.118 -73.5565 -280.906 155.684 -280.906 53.8197 GPRESSURE: 2069600 79.2292 64.0289 172.733 158.563 -79.2036 -277.159 156.991 -300.548 -15.1344 PRESSAVG: 2069600 16.9059 6.00647 -27.6688 6.00646 22.2016 -9.52298 -27.6687 -9.52301 -6.14751 GPRESSAVG: 2069600 17.598 7.91869 -25.7897 3.95383 20.1342 -8.81145 -27.2227 -9.06369 -4.33196 TIMING: 2069600 CPU: 6466.67, 0.00312438/step Wall: 6466.67, 0.00312438/step, 2.54325 hours remaining, 235.738281 MB of memory in use. ENERGY: 2069600 4043.8574 20517.8690 14483.4809 262.1962 -203296.7646 2592.0668 0.0000 0.0000 52193.9297 -109203.3645 299.9592 -161397.2942 -108841.8986 299.6904 -36.1798 -5.0362 760317.7266 10.9866 11.1334 PRESSURE: 2069800 -183.191 -189.388 37.4457 -189.388 72.2061 401.311 37.4456 401.31 -286.15 GPRESSURE: 2069800 -102.537 -89.7019 107.942 -99.4936 97.2009 396.941 63.6426 424.239 -298.628 PRESSAVG: 2069800 -11.3558 -1.35174 1.87895 -1.35177 0.0249428 42.5128 1.87903 42.5128 4.00974 GPRESSAVG: 2069800 -12.4347 -1.36064 1.07121 1.93622 2.17913 43.1064 2.67776 40.2788 3.69505 TIMING: 2069800 CPU: 6467.29, 0.00310556/step Wall: 6467.29, 0.00310556/step, 2.52776 hours remaining, 235.738281 MB of memory in use. ENERGY: 2069800 4029.2591 20517.9538 14469.4548 230.2152 -203290.7749 2585.4370 0.0000 0.0000 52210.2267 -109248.2283 300.0529 -161458.4550 -108881.9508 299.5610 -132.3781 -101.3215 761052.1667 -2.4404 -2.1868 PRESSURE: 2070000 431.72 -57.3278 41.4426 -57.328 69.6783 1.16255 41.4424 1.16161 -284.256 GPRESSURE: 2070000 488.573 50.4202 124.937 -43.8466 100.975 4.90351 55.1231 25.3168 -284.137 PRESSAVG: 2070000 16.8697 15.0486 26.0651 15.0486 -65.2712 42.6405 26.0651 42.6405 -24.4819 GPRESSAVG: 2070000 17.7648 13.6863 26.0359 14.4791 -65.2391 41.8978 23.4188 43.7141 -24.8364 TIMING: 2070000 CPU: 6467.91, 0.00310456/step Wall: 6467.91, 0.00310456/step, 2.52677 hours remaining, 235.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2070000 3943.7880 20580.1471 14435.6804 234.2895 -203208.7942 2593.5116 0.0000 0.0000 51948.5251 -109472.8524 298.5489 -161421.3775 -109111.0887 298.9289 72.3809 101.8039 762532.5020 -24.2945 -24.1036 PRESSURE: 2070200 200.529 -76.0684 -38.9101 -76.0691 101.572 96.5511 -38.91 96.5505 -27.1892 GPRESSURE: 2070200 189.335 -59.3908 -14.8463 -141.292 102.609 114.379 6.94697 39.8837 52.3996 PRESSAVG: 2070200 30.2892 -62.0988 -59.1666 -62.0988 7.56995 -21.2121 -59.1666 -21.2121 -16.2806 GPRESSAVG: 2070200 30.5049 -59.4394 -59.2778 -63.8878 6.58755 -20.5179 -57.494 -20.5444 -15.8561 TIMING: 2070200 CPU: 6468.53, 0.00310738/step Wall: 6468.53, 0.00310738/step, 2.52889 hours remaining, 235.738281 MB of memory in use. ENERGY: 2070200 4072.9405 20517.0088 14416.2154 255.0125 -203276.8387 2822.9798 0.0000 0.0000 52022.9287 -109169.7530 298.9765 -161192.6816 -108808.7157 299.0336 91.6375 114.7814 761357.7562 7.1929 7.0788 PRESSURE: 2070400 271.426 55.9379 -48.4741 55.9377 238.717 -94.9717 -48.4733 -94.9718 -0.181673 GPRESSURE: 2070400 295.903 16.2873 -18.9908 44.717 155.509 -120.571 -76.9631 -75.3855 130.674 PRESSAVG: 2070400 18.9826 -30.022 24.6061 -30.022 15.3643 6.17711 24.6062 6.17705 -7.90474 GPRESSAVG: 2070400 18.8125 -31.6626 23.3512 -29.322 14.2306 3.76545 23.5254 6.00792 -7.13161 TIMING: 2070400 CPU: 6469.16, 0.00312904/step Wall: 6469.16, 0.00312904/step, 2.54634 hours remaining, 235.738281 MB of memory in use. ENERGY: 2070400 4067.4057 20517.3801 14395.0781 250.7876 -203324.8365 2770.9968 0.0000 0.0000 52113.3220 -109209.8662 299.4960 -161323.1882 -108858.2738 299.5223 169.9871 194.0286 761921.4538 8.8141 8.6372 PRESSURE: 2070600 -63.4108 20.6847 -13.8768 20.6841 9.43982 -78.0277 -13.8762 -78.0279 -260.18 GPRESSURE: 2070600 -27.3021 147.645 24.3284 4.40587 41.7243 -50.7705 -22.5054 -59.8028 -227.548 PRESSAVG: 2070600 9.13214 5.09946 0.467277 5.0994 3.59468 43.8494 0.467238 43.8495 23.5556 GPRESSAVG: 2070600 9.26146 6.98595 1.17 4.34052 3.86924 45.3168 0.044655 44.7879 23.43 TIMING: 2070600 CPU: 6469.78, 0.00311817/step Wall: 6469.78, 0.00311817/step, 2.53732 hours remaining, 235.738281 MB of memory in use. ENERGY: 2070600 3939.6241 20376.6127 14460.2555 232.9669 -202870.8720 2547.6854 0.0000 0.0000 52166.8543 -109146.8731 299.8036 -161313.7274 -108775.2847 299.3974 -104.7171 -71.0420 760046.5743 12.0941 12.1869 PRESSURE: 2070800 88.6788 -225.624 -106.598 -225.625 -95.0209 226.956 -106.598 226.956 75.2277 GPRESSURE: 2070800 178.976 -142.589 -170.414 -315.787 33.2885 153.206 40.2018 237.497 -54.9382 PRESSAVG: 2070800 20.4257 -13.1411 10.8154 -13.1411 -1.92028 -16.5766 10.8153 -16.5766 7.99187 GPRESSAVG: 2070800 19.2611 -13.7356 11.9104 -12.9703 0.448677 -17.4559 13.1442 -15.6252 6.69464 TIMING: 2070800 CPU: 6470.4, 0.00310208/step Wall: 6470.4, 0.00310208/step, 2.52406 hours remaining, 235.738281 MB of memory in use. ENERGY: 2070800 4052.1016 20515.5234 14401.9482 253.6227 -202532.0880 2515.5072 0.0000 0.0000 51883.3868 -108909.9981 298.1745 -160793.3849 -108546.7502 299.5242 22.9619 52.4422 761833.8164 8.8324 8.8015 PRESSURE: 2071000 -3.03329 81.3043 190.69 81.3042 -93.2492 -32.9769 190.689 -32.9773 -310.978 GPRESSURE: 2071000 12.3985 100.903 167.225 72.0535 -112.15 -28.9264 83.1525 62.013 -225.182 PRESSAVG: 2071000 22.1862 -1.87439 1.47258 -1.87434 1.72891 5.79927 1.47261 5.79924 -8.96892 GPRESSAVG: 2071000 23.2341 -3.71004 -0.277294 -0.153666 -0.0499747 7.39857 -0.867472 3.15467 -7.98978 TIMING: 2071000 CPU: 6471.02, 0.00311486/step Wall: 6471.02, 0.00311486/step, 2.53428 hours remaining, 235.738281 MB of memory in use. ENERGY: 2071000 3994.7775 20439.8454 14456.0461 238.1915 -202478.6881 2356.2341 0.0000 0.0000 52133.6682 -108859.9254 299.6129 -160993.5936 -108499.4483 299.1118 -135.7535 -108.3114 762793.7921 4.9821 5.0648 PRESSURE: 2071200 -63.1685 -215.324 -22.0204 -215.324 154.969 -153.52 -22.0201 -153.52 240.483 GPRESSURE: 2071200 -19.8405 -223.041 -42.5814 -141.111 200.607 -94.939 71.1733 -105.576 246.745 PRESSAVG: 2071200 -33.1071 -2.33144 15.6789 -2.33143 -4.00692 19.0269 15.6789 19.027 -3.10888 GPRESSAVG: 2071200 -33.0953 -1.5005 17.3631 -4.04583 -4.38212 18.3717 16.1399 22.2024 -3.06032 TIMING: 2071200 CPU: 6471.65, 0.00311058/step Wall: 6471.65, 0.00311058/step, 2.53063 hours remaining, 235.738281 MB of memory in use. ENERGY: 2071200 3984.8199 20356.6506 14485.1384 243.5456 -203075.3435 3017.3863 0.0000 0.0000 52172.8070 -108814.9957 299.8378 -160987.8028 -108461.0565 299.4147 110.7612 142.5038 764521.2710 -13.4076 -13.5126 PRESSURE: 2071400 -83.4658 59.69 -64.1761 59.69 -61.2997 300.053 -64.1749 300.053 -479.562 GPRESSURE: 2071400 -98.9186 -51.0582 -31.4415 99.7453 -15.5676 234.357 -31.4255 156.271 -405.021 PRESSAVG: 2071400 -9.87223 -47.7262 -51.1566 -47.7262 34.5371 52.5886 -51.1566 52.5886 -2.33338 GPRESSAVG: 2071400 -11.4669 -47.8345 -51.9786 -47.5546 35.5666 51.6604 -50.1444 52.7902 -1.74389 TIMING: 2071400 CPU: 6472.27, 0.00310326/step Wall: 6472.27, 0.00310326/step, 2.5245 hours remaining, 235.738281 MB of memory in use. ENERGY: 2071400 4015.2978 20445.5923 14504.5341 254.8801 -203137.2354 2741.0664 0.0000 0.0000 52270.8218 -108905.0430 300.4011 -161175.8649 -108537.8650 299.4702 -208.1092 -173.1690 762723.7368 7.4438 7.4519 PRESSURE: 2071600 -316.924 -145.511 -222.76 -145.511 -170.955 51.9026 -222.76 51.9032 43.7365 GPRESSURE: 2071600 -222.415 -38.2547 -228.51 -115.097 -181.229 -35.552 -175.287 133.639 30.6048 PRESSAVG: 2071600 -69.6942 -20.0711 -0.250504 -20.0712 72.3018 42.0624 -0.250432 42.0625 -18.2075 GPRESSAVG: 2071600 -68.3296 -20.7861 -0.997742 -20.328 71.6832 43.1172 -0.784241 40.07 -18.934 TIMING: 2071600 CPU: 6472.89, 0.00310559/step Wall: 6472.89, 0.00310559/step, 2.52622 hours remaining, 235.738281 MB of memory in use. ENERGY: 2071600 4036.6600 20538.0876 14496.5176 235.5994 -202773.4382 2532.2327 0.0000 0.0000 52135.4240 -108798.9169 299.6230 -160934.3409 -108440.2108 299.9766 -148.0476 -124.3461 763442.1085 -5.2000 -5.1935 PRESSURE: 2071800 100.337 35.9091 -153.581 35.9088 -106.107 148.844 -153.581 148.845 -4.82578 GPRESSURE: 2071800 111.169 63.0601 -177.433 88.6605 -92.1795 165.07 -158.85 244.4 48.7042 PRESSAVG: 2071800 37.3486 -11.8315 -36.775 -11.8316 -32.0781 39.4217 -36.775 39.4216 8.38843 GPRESSAVG: 2071800 36.6256 -9.68847 -35.8524 -11.6942 -31.6146 38.8572 -38.3298 41.2152 7.64729 TIMING: 2071800 CPU: 6473.51, 0.00313539/step Wall: 6473.51, 0.00313539/step, 2.55029 hours remaining, 235.738281 MB of memory in use. ENERGY: 2071800 3981.3862 20560.8720 14466.8473 242.7354 -202913.3633 2566.5994 0.0000 0.0000 52050.5854 -109044.3376 299.1354 -161094.9230 -108684.1947 299.6884 -3.5318 22.5645 762092.9910 4.5530 4.2194 PRESSURE: 2072000 -118.79 -154.521 -78.3698 -154.52 -124.004 -59.076 -78.3701 -59.076 -266.439 GPRESSURE: 2072000 -43.5286 -112.99 -82.7865 -46.7831 -96.2066 19.5551 51.9796 -35.9167 -277.209 PRESSAVG: 2072000 -17.3389 5.09767 -29.4107 5.09766 28.9483 7.01044 -29.4107 7.01047 17.9366 GPRESSAVG: 2072000 -18.4358 3.29005 -30.403 6.39406 30.8427 9.29998 -28.5736 3.91387 17.5921 TIMING: 2072000 CPU: 6474.14, 0.00315392/step Wall: 6474.14, 0.00315392/step, 2.56519 hours remaining, 235.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2072000 3958.7502 20373.6078 14460.7043 262.8320 -202796.5351 2569.4872 0.0000 0.0000 52124.0945 -109047.0592 299.5579 -161171.1537 -108680.5303 299.1575 -169.7443 -138.9814 763847.0959 9.8487 9.9997 PRESSURE: 2072200 -156.363 -30.7664 255.411 -30.7668 -37.6559 -66.2634 255.411 -66.2638 -90.4934 GPRESSURE: 2072200 -192.388 -44.3432 199.943 -111.762 9.26802 -37.3087 77.9329 -54.4915 -11.9155 PRESSAVG: 2072200 10.8341 2.82805 -8.33328 2.82803 -58.2313 -8.49075 -8.3333 -8.49063 -1.03886 GPRESSAVG: 2072200 11.0623 2.52602 -8.32927 1.36714 -60.4758 -9.86764 -8.62456 -7.28447 0.824209 TIMING: 2072200 CPU: 6474.77, 0.00314877/step Wall: 6474.77, 0.00314877/step, 2.56082 hours remaining, 235.738281 MB of memory in use. ENERGY: 2072200 4024.7974 20497.1094 14396.9157 237.2698 -202927.4080 2726.5488 0.0000 0.0000 51934.7783 -109109.9886 298.4699 -161044.7669 -108759.2912 299.0502 -94.8373 -65.0119 762527.2513 -16.1454 -16.1964 LDB: ============= START OF LOAD BALANCING ============== 6487.25 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6487.25 LDB: =============== DONE WITH MIGRATION ================ 6487.25 LDB: ============= START OF LOAD BALANCING ============== 6487.57 LDB: Largest compute 7058 load 0.032381 is 16.6% of average load 0.195207 LDB: Average compute 0.004383 is 2.2% of average load 0.195207 LDB: TIME 6487.57 LOAD: AVG 0.195207 MAX 0.215622 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.312 MB LDB: TIME 6487.57 LOAD: AVG 0.195207 MAX 0.215622 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.41 MB LDB: TIME 6487.57 LOAD: AVG 0.195207 MAX 0.215622 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.41 MB LDB: ============== END OF LOAD BALANCING =============== 6487.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6487.58 PRESSURE: 2072400 -235.555 151.789 195.867 151.789 -353.309 178.631 195.866 178.63 -25.9215 GPRESSURE: 2072400 -209.631 134.257 264.614 129.756 -331.366 205.017 211.446 119.458 24.8734 PRESSAVG: 2072400 -5.47304 -24.8318 -3.27831 -24.8318 -27.0391 29.0781 -3.27837 29.0781 -6.47303 GPRESSAVG: 2072400 -4.52641 -23.9771 -0.95018 -25.2868 -27.1481 28.7211 -2.94653 29.6399 -7.18287 TIMING: 2072400 CPU: 6475.41, 0.00318134/step Wall: 6475.41, 0.00318134/step, 2.58714 hours remaining, 233.742188 MB of memory in use. ENERGY: 2072400 3978.9915 20461.6283 14400.3083 260.6862 -203250.5962 2735.5348 0.0000 0.0000 52312.6164 -109100.8306 300.6413 -161413.4471 -108735.5098 299.2175 -204.9286 -172.0412 761388.6888 -12.9951 -12.9525 PRESSURE: 2072600 25.9485 18.148 -74.4516 18.1475 -64.6655 -50.0147 -74.4517 -50.0154 -59.9018 GPRESSURE: 2072600 47.5218 -4.42726 -71.6141 100.36 -62.3217 -71.2259 -90.389 -91.6264 9.40552 PRESSAVG: 2072600 -35.2001 -72.7018 43.3929 -72.7018 -6.94701 6.88509 43.3929 6.88511 -8.40861 GPRESSAVG: 2072600 -35.0364 -73.0586 44.3988 -72.4537 -6.89974 7.27349 42.0675 4.72679 -8.55398 TIMING: 2072600 CPU: 6476.04, 0.0031413/step Wall: 6476.04, 0.0031413/step, 2.5544 hours remaining, 233.742188 MB of memory in use. ENERGY: 2072600 3964.5927 20477.9137 14304.9116 255.3446 -203481.0846 2908.8967 0.0000 0.0000 52130.4727 -109438.9525 299.5945 -161569.4252 -109071.6644 298.9608 -32.8729 -1.7981 762835.9078 -16.8519 -16.8301 PRESSURE: 2072800 -57.6593 -148.427 134.976 -148.427 -5.64206 153.124 134.976 153.123 243.319 GPRESSURE: 2072800 -108.395 -54.3038 186.559 -188.042 166.06 201.42 201.47 267.843 209.755 PRESSAVG: 2072800 3.71539 -40.088 35.9369 -40.088 15.3771 8.39264 35.9369 8.39258 19.6008 GPRESSAVG: 2072800 2.20665 -39.9701 32.1978 -42.045 16.5637 8.58459 38.7335 9.44861 19.4229 TIMING: 2072800 CPU: 6476.67, 0.00314031/step Wall: 6476.67, 0.00314031/step, 2.55342 hours remaining, 233.742188 MB of memory in use. ENERGY: 2072800 3976.6439 20541.7421 14514.3181 247.8232 -203502.6244 2726.8585 0.0000 0.0000 52050.8708 -109444.3678 299.1371 -161495.2385 -109076.5151 299.1050 60.0059 89.1398 760410.5331 12.8978 12.7311 PRESSURE: 2073000 -388.07 -8.10048 81.6656 -8.09939 -309.812 95.5669 81.666 95.5667 -323.833 GPRESSURE: 2073000 -389.229 -93.0511 57.1503 95.547 -205.601 106.108 149.041 82.7248 -339.836 PRESSAVG: 2073000 36.4763 -31.146 7.80897 -31.146 -55.583 -10.9482 7.80902 -10.9481 -2.30119 GPRESSAVG: 2073000 38.0738 -30.1382 8.68053 -31.0833 -56.8087 -13.3609 8.13167 -9.65294 -2.1556 TIMING: 2073000 CPU: 6477.3, 0.00315128/step Wall: 6477.3, 0.00315128/step, 2.56217 hours remaining, 233.742188 MB of memory in use. ENERGY: 2073000 4045.6206 20520.0982 14380.4382 261.7108 -203183.3146 2479.2610 0.0000 0.0000 52138.9907 -109357.1950 299.6435 -161496.1857 -108993.8085 299.1900 -340.5718 -311.5555 762261.6285 -7.1360 -6.9635 PRESSURE: 2073200 69.1725 92.2289 149.601 92.2284 167.157 -62.8084 149.601 -62.8085 117.36 GPRESSURE: 2073200 85.3042 191.872 102.707 108.316 171.187 -73.0626 146.5 -100.247 183.994 PRESSAVG: 2073200 49.6227 -38.279 3.49614 -38.279 -78.382 14.4368 3.49611 14.4369 -10.9505 GPRESSAVG: 2073200 50.2603 -40.6109 4.21141 -36.0611 -78.2368 15.6257 3.73698 13.0101 -11.1322 TIMING: 2073200 CPU: 6477.92, 0.00312548/step Wall: 6477.92, 0.00312548/step, 2.54102 hours remaining, 233.742188 MB of memory in use. ENERGY: 2073200 3917.7041 20514.2624 14453.7275 242.8355 -203392.6913 2961.5297 0.0000 0.0000 51973.0020 -109329.6300 298.6896 -161302.6320 -108960.2353 299.0395 117.8962 146.8281 761915.2289 -13.2366 -13.0362 PRESSURE: 2073400 9.75582 -198.101 85.9827 -198.101 384.122 121.781 85.9832 121.779 -47.8744 GPRESSURE: 2073400 91.38 -129.865 98.9819 -116.918 367.309 168.726 197.95 103.449 -42.4841 PRESSAVG: 2073400 -37.0788 -20.7669 -5.18072 -20.7669 10.9003 55.621 -5.1807 55.621 -15.8623 GPRESSAVG: 2073400 -39.0568 -18.8053 -4.78527 -19.44 11.9389 57.665 -5.93318 53.6673 -14.6878 TIMING: 2073400 CPU: 6478.55, 0.00315395/step Wall: 6478.55, 0.00315395/step, 2.56398 hours remaining, 233.742188 MB of memory in use. ENERGY: 2073400 3961.5438 20756.5498 14395.3724 266.2294 -203361.6147 2841.0858 0.0000 0.0000 52047.4816 -109093.3518 299.1176 -161140.8335 -108749.8540 299.4270 115.3345 138.7350 763300.9215 -14.0136 -13.9353 PRESSURE: 2073600 -40.6794 -54.5876 -220.675 -54.587 -305.446 -126.567 -220.674 -126.566 341.727 GPRESSURE: 2073600 -96.4118 20.048 -193.563 -105.998 -143.967 -121.065 -167.011 -138.434 320.189 PRESSAVG: 2073600 -20.7206 -6.86469 39.6924 -6.86466 33.9514 39.372 39.6924 39.3721 -5.87771 GPRESSAVG: 2073600 -20.2538 -7.04433 37.968 -8.27087 34.4174 38.1407 40.8554 42.0512 -7.11283 TIMING: 2073600 CPU: 6479.18, 0.00314624/step Wall: 6479.18, 0.00314624/step, 2.55755 hours remaining, 233.742188 MB of memory in use. ENERGY: 2073600 3892.8607 20466.1416 14454.9246 253.5039 -202880.4482 2531.4470 0.0000 0.0000 52157.5877 -109123.9827 299.7504 -161281.5704 -108763.0098 299.4147 -1.4661 26.6035 763972.8004 2.4510 2.3503 PRESSURE: 2073800 -182.243 -66.7533 -218.736 -66.753 -11.9914 -21.0603 -218.736 -21.0611 -248.68 GPRESSURE: 2073800 -137.256 -80.3955 -138.455 -57.01 14.922 -39.5553 -148.541 -90.5167 -219.937 PRESSAVG: 2073800 45.7228 -17.7723 17.9222 -17.7723 -45.5732 58.9539 17.9221 58.9538 -20.5647 GPRESSAVG: 2073800 46.208 -16.5586 20.2865 -18.2176 -47.0476 58.3708 16.4418 59.3418 -19.8223 TIMING: 2073800 CPU: 6479.81, 0.00315364/step Wall: 6479.81, 0.00315364/step, 2.56338 hours remaining, 233.742188 MB of memory in use. ENERGY: 2073800 3972.6104 20467.5856 14465.3250 246.9164 -202768.8564 2452.7715 0.0000 0.0000 52305.7389 -108857.9086 300.6018 -161163.6475 -108499.6095 299.6737 -147.6382 -114.0903 763548.8649 -6.8050 -6.8873 PRESSURE: 2074000 141.453 -214.471 -145.588 -214.472 -30.2013 75.5677 -145.589 75.5676 339.954 GPRESSURE: 2074000 238.042 -283.863 -70.7125 -195.736 -24.9515 59.9089 -41.6847 103.198 308.665 PRESSAVG: 2074000 20.7621 -61.4444 -21.6659 -61.4443 -15.7921 4.23783 -21.6659 4.23779 32.3093 GPRESSAVG: 2074000 20.6559 -62.2195 -22.8036 -60.9892 -14.8504 4.36578 -20.3364 3.70751 31.7148 TIMING: 2074000 CPU: 6480.45, 0.00316162/step Wall: 6480.45, 0.00316162/step, 2.5697 hours remaining, 233.742188 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: 2074000 3971.9711 20515.3344 14456.6313 250.9102 -202927.0269 2722.6637 0.0000 0.0000 51981.0899 -109028.4264 298.7360 -161009.5163 -108666.6682 299.7574 150.4017 173.9184 762099.1509 12.4264 12.5067 PRESSURE: 2074200 147.093 -253.451 38.6411 -253.452 -31.2417 65.7112 38.643 65.7116 -22.0229 GPRESSURE: 2074200 257.591 -222.319 -1.85006 -307.557 -16.5068 117.341 -26.7806 -84.7272 -71.1564 PRESSAVG: 2074200 -6.54443 -34.433 -20.8938 -34.4331 34.8983 52.701 -20.8937 52.7011 -13.4581 GPRESSAVG: 2074200 -7.75064 -33.6778 -19.6438 -35.31 35.0497 53.0457 -24.9053 52.062 -12.8871 TIMING: 2074200 CPU: 6481.07, 0.00314633/step Wall: 6481.07, 0.00314633/step, 2.55709 hours remaining, 233.742188 MB of memory in use. ENERGY: 2074200 3936.7490 20417.1975 14393.1015 248.6025 -203148.9352 2593.8912 0.0000 0.0000 52450.6497 -109108.7439 301.4346 -161559.3936 -108738.6649 299.7973 31.2762 56.6424 761977.3597 4.9652 4.8040 PRESSURE: 2074400 204.498 -24.1229 -92.8539 -24.1225 -166.684 104.453 -92.8536 104.453 15.9064 GPRESSURE: 2074400 123.676 -63.8189 -122.151 -45.4379 -15.0028 124.373 -120.222 77.0558 35.7031 PRESSAVG: 2074400 -29.3643 -43.2519 -21.0345 -43.2519 33.0739 55.8735 -21.0345 55.8735 17.1721 GPRESSAVG: 2074400 -28.3462 -43.9657 -22.2584 -44.5693 31.8292 57.5284 -19.0509 53.3197 17.668 TIMING: 2074400 CPU: 6481.71, 0.00315111/step Wall: 6481.71, 0.00315111/step, 2.5608 hours remaining, 233.742188 MB of memory in use. ENERGY: 2074400 4052.1806 20438.6911 14421.2214 251.4133 -203226.7842 2647.3283 0.0000 0.0000 52421.0083 -108994.9413 301.2643 -161415.9496 -108644.9259 300.0001 17.9068 48.1255 761745.5991 6.9606 7.0504 PRESSURE: 2074600 258.888 104.097 -105.849 104.097 406.522 -230.112 -105.849 -230.112 3.81073 GPRESSURE: 2074600 291.871 89.0344 -82.0576 97.7271 394.457 -287.408 -18.2104 -145.672 74.4005 PRESSAVG: 2074600 -0.928239 0.377943 -40.1358 0.377954 72.1696 7.32373 -40.1358 7.32365 -4.47536 GPRESSAVG: 2074600 -1.05835 0.715479 -40.6406 1.50413 73.6146 5.2546 -37.3467 9.063 -5.72165 TIMING: 2074600 CPU: 6482.34, 0.00316144/step Wall: 6482.34, 0.00316144/step, 2.56902 hours remaining, 233.742188 MB of memory in use. ENERGY: 2074600 3990.1125 20477.3221 14422.7516 256.4281 -203556.6500 3039.7449 0.0000 0.0000 52149.8499 -109220.4409 299.7059 -161370.2909 -108860.3060 299.9300 223.0737 253.5761 761371.9241 22.2553 22.2782 PRESSURE: 2074800 -155.439 44.2279 -19.1547 44.2277 218.345 420.331 -19.1548 420.331 161.819 GPRESSURE: 2074800 -86.4086 70.4604 0.0958211 110.541 116.647 354.54 -126.306 428.757 266.595 PRESSAVG: 2074800 -52.6124 -11.4093 14.6287 -11.4094 24.5571 92.9962 14.6287 92.9962 4.69983 GPRESSAVG: 2074800 -52.3227 -11.4975 16.2036 -11.6397 24.3029 93.3961 10.8464 93.2791 5.24676 TIMING: 2074800 CPU: 6482.97, 0.00314718/step Wall: 6482.97, 0.00314718/step, 2.55726 hours remaining, 233.742188 MB of memory in use. ENERGY: 2074800 3961.0687 20713.1474 14422.0244 247.6649 -203191.4257 2684.8982 0.0000 0.0000 52092.9136 -109069.7085 299.3787 -161162.6221 -108709.4158 299.6909 74.9081 98.9446 762432.2010 -7.7852 -7.5910 PRESSURE: 2075000 328.752 24.8208 111.983 24.8215 6.52258 -78.3743 111.982 -78.3748 521.134 GPRESSURE: 2075000 308.63 21.7261 107.405 6.9428 122.235 -26.8933 90.0658 -97.9377 489.226 PRESSAVG: 2075000 44.278 1.74597 -33.7097 1.74598 15.724 30.0186 -33.7097 30.0186 -14.01 GPRESSAVG: 2075000 42.8897 0.609594 -34.2483 2.94781 16.8536 27.8658 -32.2255 30.4017 -13.4388 TIMING: 2075000 CPU: 6483.6, 0.00315346/step Wall: 6483.6, 0.00315346/step, 2.56219 hours remaining, 233.742188 MB of memory in use. ENERGY: 2075000 3916.2327 20620.0551 14434.4365 240.6579 -203239.7760 2769.2448 0.0000 0.0000 52297.9668 -108961.1822 300.5571 -161259.1490 -108603.9857 300.0466 285.4695 306.6970 762375.7245 15.3307 15.4348 PRESSURE: 2075200 -51.2961 -98.9532 144.47 -98.9533 -618.208 58.9262 144.471 58.9256 -18.493 GPRESSURE: 2075200 -58.1081 9.6529 131.372 -65.3793 -511.49 64.2988 231.029 56.1276 -34.733 PRESSAVG: 2075200 -25.8078 -63.1423 11.3268 -63.1423 -11.9488 22.0318 11.3267 22.0318 -0.603666 GPRESSAVG: 2075200 -24.6781 -60.9447 11.1006 -65.2956 -11.5266 22.7388 11.4457 22.4244 -1.71949 TIMING: 2075200 CPU: 6484.22, 0.00313337/step Wall: 6484.22, 0.00313337/step, 2.54569 hours remaining, 233.742188 MB of memory in use. ENERGY: 2075200 3997.2148 20550.0766 14399.9218 242.2251 -202701.7863 2545.6738 0.0000 0.0000 52012.5738 -108954.1005 298.9170 -160966.6743 -108595.3919 299.9684 -229.3325 -201.4436 762607.4661 -12.7868 -12.6414 PRESSURE: 2075400 22.6926 -206.865 26.2829 -206.864 164.853 -9.44043 26.2821 -9.43966 -125.715 GPRESSURE: 2075400 80.2175 -156.2 82.6221 -194.61 148.362 7.7515 42.5211 -35.8823 -93.949 PRESSAVG: 2075400 -16.2174 -12.3189 -3.31438 -12.3189 39.545 25.8629 -3.31442 25.8629 -3.77505 GPRESSAVG: 2075400 -15.6779 -11.0427 -4.19822 -10.988 37.6611 26.1446 -3.91089 25.133 -2.29728 TIMING: 2075400 CPU: 6484.85, 0.00311967/step Wall: 6484.85, 0.00311967/step, 2.53439 hours remaining, 233.742188 MB of memory in use. ENERGY: 2075400 4011.3033 20539.5787 14418.0898 265.2226 -202927.7371 2547.8684 0.0000 0.0000 52160.5929 -108985.0813 299.7676 -161145.6742 -108619.7453 299.6111 20.6101 44.8767 764184.1386 6.5175 6.5619 PRESSURE: 2075600 -226.166 -99.7546 -196.849 -99.754 -204.768 -117.78 -196.85 -117.781 17.0957 GPRESSURE: 2075600 -215.26 -55.6066 -167.146 -79.2739 -156.426 -155.163 -181.503 -70.5174 41.0671 PRESSAVG: 2075600 -1.00837 24.3803 16.5121 24.3802 -23.5336 -32.2888 16.512 -32.2889 15.2247 GPRESSAVG: 2075600 -1.42111 22.7241 18.6583 24.8699 -22.6182 -30.7777 17.7134 -29.5323 14.9302 TIMING: 2075600 CPU: 6485.47, 0.00311505/step Wall: 6485.47, 0.00311505/step, 2.53046 hours remaining, 233.742188 MB of memory in use. ENERGY: 2075600 4018.4693 20701.3170 14399.2550 225.2286 -202964.5470 2669.5059 0.0000 0.0000 51980.2435 -108970.5277 298.7312 -160950.7712 -108607.3852 299.6238 -137.9459 -110.2062 764145.1147 -3.1057 -3.0363 PRESSURE: 2075800 -202.186 -220.769 119.129 -220.769 -135.087 -82.6081 119.128 -82.6078 81.1728 GPRESSURE: 2075800 -239.154 -239.384 92.4898 -167.291 -47.249 -32.508 88.3821 -26.7524 89.3908 PRESSAVG: 2075800 -16.8209 -40.4103 21.1769 -40.4103 -15.2688 11.0543 21.1768 11.0543 11.1008 GPRESSAVG: 2075800 -16.5257 -40.5689 20.757 -40.6734 -15.7041 11.1499 18.5645 8.23092 11.4125 TIMING: 2075800 CPU: 6486.1, 0.0031391/step Wall: 6486.1, 0.0031391/step, 2.54982 hours remaining, 233.742188 MB of memory in use. ENERGY: 2075800 3932.6787 20515.5251 14422.6641 245.9280 -202133.4077 2108.6830 0.0000 0.0000 51959.9100 -108948.0188 298.6143 -160907.9287 -108579.5821 299.9520 -85.3668 -65.6707 762702.9867 -6.9963 -6.9391 PRESSURE: 2076000 -306.391 -6.33345 8.05462 -6.33256 15.7411 101.146 8.05416 101.147 -525.448 GPRESSURE: 2076000 -196.317 57.406 22.401 73.6319 3.19197 -1.68682 26.1547 152.251 -525.591 PRESSAVG: 2076000 21.3566 20.0362 -47.0475 20.0363 -30.9994 -23.4666 -47.0475 -23.4665 -14.9509 GPRESSAVG: 2076000 20.3924 21.6201 -48.2288 19.56 -30.6081 -24.4521 -46.0351 -22.2184 -14.7277 TIMING: 2076000 CPU: 6486.73, 0.00314754/step Wall: 6486.73, 0.00314754/step, 2.5565 hours remaining, 233.742188 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: 2076000 4083.4088 20321.9780 14503.7649 233.0062 -202789.8676 2480.8241 0.0000 0.0000 52129.5512 -109037.3344 299.5892 -161166.8856 -108669.6103 299.6284 -272.0327 -239.5721 762055.1341 -8.1979 -8.3145 PRESSURE: 2076200 129.514 -226.894 78.8774 -226.894 -33.9506 148.751 78.8775 148.751 -196.656 GPRESSURE: 2076200 242.466 -139.7 106.26 -178.973 -18.138 157.201 0.18435 172.418 -227.98 PRESSAVG: 2076200 13.0602 -33.7411 15.7165 -33.7412 28.0531 -25.1617 15.7164 -25.1618 -9.49507 GPRESSAVG: 2076200 14.1796 -36.8301 17.5568 -31.2634 26.7425 -25.6112 14.5196 -25.7353 -9.2332 TIMING: 2076200 CPU: 6487.36, 0.0031554/step Wall: 6487.36, 0.0031554/step, 2.56271 hours remaining, 233.742188 MB of memory in use. ENERGY: 2076200 4039.1269 20521.6995 14519.8127 264.8726 -203373.3966 2806.9808 0.0000 0.0000 52113.7188 -109107.1854 299.4983 -161220.9042 -108743.2369 299.7516 -33.6978 -1.2173 761926.9673 10.5394 10.5630 LDB: ============= START OF LOAD BALANCING ============== 6499.84 LDB: ============== END OF LOAD BALANCING =============== 6499.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6499.85 LDB: ============= START OF LOAD BALANCING ============== 6500.16 LDB: Largest compute 7058 load 0.031595 is 16.2% of average load 0.195077 LDB: Average compute 0.004413 is 2.3% of average load 0.195077 LDB: TIME 6500.17 LOAD: AVG 0.195077 MAX 0.215234 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 6500.17 LOAD: AVG 0.195077 MAX 0.215234 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.258 MB LDB: TIME 6500.17 LOAD: AVG 0.195077 MAX 0.215234 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.258 MB LDB: ============== END OF LOAD BALANCING =============== 6500.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6500.17 PRESSURE: 2076400 160.966 -8.41311 33.2268 -8.41282 86.4491 78.7033 33.2256 78.7041 93.1947 GPRESSURE: 2076400 99.7674 -89.6428 7.07341 28.4861 164.523 93.6317 71.3898 116.276 143.938 PRESSAVG: 2076400 10.0489 -52.932 38.7651 -52.9319 -22.7965 -16.464 38.7651 -16.4639 11.1317 GPRESSAVG: 2076400 9.89139 -52.0123 36.8337 -52.5881 -21.3292 -14.8915 39.3505 -16.5685 8.92146 TIMING: 2076400 CPU: 6488.01, 0.00324197/step Wall: 6488.01, 0.00324197/step, 2.63284 hours remaining, 234.253906 MB of memory in use. ENERGY: 2076400 3945.1384 20577.1424 14471.2995 253.7869 -203548.8920 2997.0911 0.0000 0.0000 52203.4713 -109100.9625 300.0141 -161304.4338 -108725.6819 299.2972 113.5366 136.0763 759975.3861 -0.5386 -0.8388 PRESSURE: 2076600 -310.862 163.291 -242.774 163.291 -301.822 -208.201 -242.774 -208.201 -174.902 GPRESSURE: 2076600 -257.098 177.664 -201.113 -2.98095 -301.131 -186.28 -139.02 -303.356 -143.466 PRESSAVG: 2076600 15.5442 -7.98797 45.7849 -7.988 -5.9477 -38.5819 45.7849 -38.5819 -16.4879 GPRESSAVG: 2076600 15.5782 -9.55055 45.9955 -8.81957 -6.04699 -39.8463 49.8239 -37.8677 -15.7809 TIMING: 2076600 CPU: 6488.64, 0.00315455/step Wall: 6488.64, 0.00315455/step, 2.56167 hours remaining, 234.457031 MB of memory in use. ENERGY: 2076600 3984.7365 20627.6991 14422.6612 238.5275 -203033.8189 2402.9101 0.0000 0.0000 52299.8783 -109057.4063 300.5681 -161357.2846 -108679.2027 299.7848 -262.5285 -233.8984 762877.1205 -2.2971 -2.0832 PRESSURE: 2076800 55.3039 112.689 200.101 112.69 102.69 -10.7325 200.101 -10.7329 218.298 GPRESSURE: 2076800 107.842 74.3495 249.73 81.7518 147.492 -61.9179 206.511 8.91278 189.527 PRESSAVG: 2076800 36.1579 -91.6694 6.19412 -91.6694 -30.6164 25.7578 6.19417 25.7578 7.69834 GPRESSAVG: 2076800 35.8627 -90.8925 7.47747 -92.8051 -30.1819 25.5433 3.66703 27.0189 8.19239 TIMING: 2076800 CPU: 6489.27, 0.0031495/step Wall: 6489.27, 0.0031495/step, 2.55739 hours remaining, 234.457031 MB of memory in use. ENERGY: 2076800 4011.8513 20531.1022 14418.9543 254.7015 -203389.0976 2889.4157 0.0000 0.0000 52109.6616 -109173.4110 299.4749 -161283.0727 -108809.9274 299.5989 125.4307 148.2869 761513.9109 4.4133 4.6244 PRESSURE: 2077000 -97.6989 2.64218 155.946 2.6414 -137.358 -104.416 155.946 -104.417 -361.168 GPRESSURE: 2077000 -100.958 -151.887 180.937 -33.0794 -82.7155 -86.3613 146.963 -113.546 -336.663 PRESSAVG: 2077000 -1.10668 -60.1499 11.1161 -60.1499 -18.1322 -27.9446 11.1161 -27.9446 -27.5758 GPRESSAVG: 2077000 -1.97395 -60.2651 12.0989 -59.9894 -17.3217 -26.3855 9.64769 -30.1491 -27.8269 TIMING: 2077000 CPU: 6489.9, 0.00315402/step Wall: 6489.9, 0.00315402/step, 2.56089 hours remaining, 234.457031 MB of memory in use. ENERGY: 2077000 3954.1656 20583.4221 14504.8106 250.0491 -202968.0979 2480.0213 0.0000 0.0000 51904.6254 -109291.0038 298.2966 -161195.6291 -108917.2016 299.6802 -198.7417 -173.4454 762386.4803 -15.6049 -15.7075 PRESSURE: 2077200 -295.523 47.3963 -253.813 47.3967 93.4188 67.9063 -253.813 67.9082 -360.97 GPRESSURE: 2077200 -237.438 119.218 -229.087 4.64279 54.2064 51.2002 -280.499 35.1098 -292.838 PRESSAVG: 2077200 -31.9533 -78.7887 13.9231 -78.7887 9.12498 -42.5106 13.9231 -42.5106 9.47238 GPRESSAVG: 2077200 -30.6969 -78.0474 12.4989 -79.634 6.86766 -44.2864 14.9568 -41.5194 10.5253 TIMING: 2077200 CPU: 6490.53, 0.00315581/step Wall: 6490.53, 0.00315581/step, 2.56217 hours remaining, 234.457031 MB of memory in use. ENERGY: 2077200 4014.6853 20365.1321 14509.8787 253.6510 -203318.0627 2527.0606 0.0000 0.0000 52167.6076 -109480.0474 299.8080 -161647.6550 -109124.8157 299.0074 -187.6913 -158.6900 761780.6052 -4.4520 -4.4346 PRESSURE: 2077400 100.558 101.097 145.331 101.096 -288.619 -164.788 145.331 -164.788 -225.587 GPRESSURE: 2077400 90.3066 51.5527 155.111 85.1398 -192.301 -209.994 123.923 -50.4558 -225.666 PRESSAVG: 2077400 -3.57614 -46.7727 11.8141 -46.7727 -28.4063 26.8358 11.814 26.8358 -3.35274 GPRESSAVG: 2077400 -3.51525 -45.2758 12.1599 -44.166 -26.629 28.4 13.6062 26.9882 -5.68633 TIMING: 2077400 CPU: 6491.16, 0.00314051/step Wall: 6491.16, 0.00314051/step, 2.54957 hours remaining, 234.457031 MB of memory in use. ENERGY: 2077400 4030.0735 20468.8347 14447.7608 244.8852 -203298.5808 2723.1857 0.0000 0.0000 52043.6661 -109340.1748 299.0957 -161383.8409 -108977.3753 299.0597 -137.8826 -109.2202 761449.2403 -11.7784 -11.9435 PRESSURE: 2077600 -197.924 28.4685 64.069 28.4681 -356.958 145.814 64.0697 145.814 -432.604 GPRESSURE: 2077600 -68.8304 152.393 -51.2395 21.2455 -373.672 110.328 233.478 112.684 -458.18 PRESSAVG: 2077600 31.1063 -52.7052 32.8699 -52.7052 -30.3409 -35.8262 32.8699 -35.8262 -0.100812 GPRESSAVG: 2077600 30.7782 -53.2773 33.4077 -54.4876 -31.114 -38.7985 30.8395 -36.245 1.03584 TIMING: 2077600 CPU: 6491.78, 0.00311682/step Wall: 6491.78, 0.00311682/step, 2.53016 hours remaining, 234.457031 MB of memory in use. ENERGY: 2077600 3969.3471 20546.6763 14324.6822 225.9072 -202457.4812 2293.1808 0.0000 0.0000 51918.7393 -109178.9483 298.3777 -161097.6876 -108813.8646 299.1129 -329.1621 -300.2273 764067.9827 0.2215 0.2333 PRESSURE: 2077800 113.606 -77.0377 77.1923 -77.0374 153.058 16.0613 77.192 16.0594 -3.05546 GPRESSURE: 2077800 190.856 -136.844 87.2488 -89.0039 82.0576 -38.3122 73.4626 18.672 78.0555 PRESSAVG: 2077800 14.0604 -39.1485 48.2319 -39.1484 46.0707 -10.4402 48.232 -10.4402 16.33 GPRESSAVG: 2077800 14.6566 -39.095 48.4373 -38.8904 46.0329 -8.52007 49.5471 -10.573 15.7888 TIMING: 2077800 CPU: 6492.4, 0.00310511/step Wall: 6492.4, 0.00310511/step, 2.52049 hours remaining, 234.457031 MB of memory in use. ENERGY: 2077800 3990.0644 20538.3276 14463.5336 237.9007 -202932.8919 2634.3938 0.0000 0.0000 51906.1691 -109162.5027 298.3055 -161068.6718 -108795.9040 299.0319 87.8694 116.9896 760851.9859 25.4871 25.4927 PRESSURE: 2078000 -44.9947 -134.983 75.927 -134.983 -158.755 -269.941 75.9272 -269.941 101.246 GPRESSURE: 2078000 -73.1067 -119.907 64.9493 -197.272 -17.8989 -156.501 151.683 -151.244 65.5766 PRESSAVG: 2078000 -25.1517 -35.3722 20.4123 -35.3722 -9.30475 -11.1729 20.4123 -11.1728 6.89417 GPRESSAVG: 2078000 -27.0295 -35.4752 18.8796 -35.5386 -9.0387 -9.38198 21.0167 -10.7909 8.28623 TIMING: 2078000 CPU: 6493.03, 0.00312096/step Wall: 6493.03, 0.00312096/step, 2.53318 hours remaining, 234.457031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2078000 4016.9777 20368.4436 14433.2452 236.6700 -203183.4837 2668.5065 0.0000 0.0000 52183.8863 -109275.7544 299.9015 -161459.6407 -108912.1587 299.4272 -34.1679 -8.4763 760350.8452 -9.1874 -9.2607 PRESSURE: 2078200 -139.961 228.479 97.9194 228.478 153.673 -246.621 97.9186 -246.621 -122.221 GPRESSURE: 2078200 -77.6029 218.48 21.6624 241.719 125.689 -274.126 82.3937 -288.215 -84.1572 PRESSAVG: 2078200 -51.3437 -45.3343 -29.8343 -45.3343 60.368 -21.6525 -29.8343 -21.6526 23.4167 GPRESSAVG: 2078200 -49.8843 -44.2043 -29.3072 -44.7694 59.45 -23.8296 -30.0228 -20.3517 22.5329 TIMING: 2078200 CPU: 6493.66, 0.00314359/step Wall: 6493.66, 0.00314359/step, 2.55137 hours remaining, 234.457031 MB of memory in use. ENERGY: 2078200 4029.3848 20508.4067 14443.7260 271.4841 -203067.5019 2487.0000 0.0000 0.0000 52272.5962 -109054.9042 300.4113 -161327.5003 -108680.5092 300.0738 -36.1697 -12.0238 760044.7121 10.8137 10.6995 PRESSURE: 2078400 -8.75037 238.637 88.5182 238.637 -47.8944 204.489 88.5186 204.487 -31.7147 GPRESSURE: 2078400 98.1517 226.015 181.548 43.2203 -66.8479 209.758 27.3066 45.4409 -31.3158 PRESSAVG: 2078400 34.6184 -19.1097 72.6293 -19.1097 -0.254151 -37.0921 72.6292 -37.0921 5.25791 GPRESSAVG: 2078400 34.1786 -19.1228 73.7308 -18.9781 0.291847 -36.8216 72.2814 -37.3469 5.62922 TIMING: 2078400 CPU: 6494.29, 0.00315692/step Wall: 6494.29, 0.00315692/step, 2.56202 hours remaining, 234.457031 MB of memory in use. ENERGY: 2078400 3980.6524 20592.8425 14459.6705 244.9256 -202926.2173 2647.9565 0.0000 0.0000 52042.6317 -108957.5379 299.0897 -161000.1696 -108591.7522 300.2990 -29.4531 -0.0040 762951.5429 13.2074 13.3666 PRESSURE: 2078600 -485.254 -50.4675 -23.1496 -50.4672 -96.7449 -88.8732 -23.1492 -88.8734 47.6693 GPRESSURE: 2078600 -400.609 -174.208 26.6338 -27.883 -43.9306 -109.045 -77.0883 29.3818 -20.1892 PRESSAVG: 2078600 -21.6603 -34.0891 59.096 -34.0891 -48.1494 -31.6144 59.096 -31.6144 9.87564 GPRESSAVG: 2078600 -22.4137 -35.5355 60.6968 -33.7235 -47.0135 -32.0757 57.248 -32.6982 9.65502 TIMING: 2078600 CPU: 6494.92, 0.00314265/step Wall: 6494.92, 0.00314265/step, 2.55026 hours remaining, 234.457031 MB of memory in use. ENERGY: 2078600 3968.7741 20503.8045 14431.0069 238.7473 -203030.2888 2462.1624 0.0000 0.0000 52240.3481 -109185.4455 300.2260 -161425.7936 -108821.9473 299.5169 -178.1100 -154.9096 762340.6985 -19.9780 -19.9241 PRESSURE: 2078800 322.4 -214.6 -53.2488 -214.6 -19.3658 -236.976 -53.2479 -236.976 48.5394 GPRESSURE: 2078800 289.975 -195.697 -108.983 -259.163 56.4267 -278.504 -123.842 -307.705 97.2592 PRESSAVG: 2078800 -97.7142 -25.7632 18.6707 -25.7633 74.7183 -36.1401 18.6706 -36.1401 9.62075 GPRESSAVG: 2078800 -97.599 -26.1887 16.5697 -25.3487 74.7459 -34.9683 19.6554 -35.1563 9.72203 TIMING: 2078800 CPU: 6495.55, 0.00315488/step Wall: 6495.55, 0.00315488/step, 2.56001 hours remaining, 234.457031 MB of memory in use. ENERGY: 2078800 4022.4984 20486.2055 14362.1328 267.2266 -203310.6726 2773.8780 0.0000 0.0000 51896.1238 -109502.6075 298.2477 -161398.7314 -109130.9310 299.4089 117.1914 147.8869 760429.6177 -4.4584 -4.3770 PRESSURE: 2079000 -511.601 160.296 -2.51809 160.295 131.699 -54.2869 -2.51766 -54.2863 -651.903 GPRESSURE: 2079000 -344.859 226.233 -3.61238 -2.09559 21.2193 -60.4397 -97.0429 -44.9543 -628.49 PRESSAVG: 2079000 -26.7673 1.13208 -0.574638 1.13207 57.3941 -36.3909 -0.574629 -36.391 0.500118 GPRESSAVG: 2079000 -26.035 3.77319 -0.13686 -1.12183 56.8741 -36.4835 -0.675187 -36.6671 0.803066 TIMING: 2079000 CPU: 6496.17, 0.00312639/step Wall: 6496.17, 0.00312639/step, 2.53672 hours remaining, 234.457031 MB of memory in use. ENERGY: 2079000 4047.1865 20445.0590 14324.0374 264.0226 -203112.3538 2468.2236 0.0000 0.0000 51991.9573 -109571.8674 298.7985 -161563.8247 -109209.2408 298.5350 -343.9351 -317.3765 762338.1577 10.3757 10.5474 PRESSURE: 2079200 -52.3795 6.01436 53.8241 6.01494 158.791 -105.7 53.823 -105.701 -143.996 GPRESSURE: 2079200 -27.7463 5.06365 -30.0369 60.44 210.543 -128.743 104.034 -9.19682 -165.29 PRESSAVG: 2079200 -0.122103 -7.99651 -41.17 -7.99644 -7.85718 -46.8403 -41.17 -46.8404 14.0664 GPRESSAVG: 2079200 1.31457 -8.13599 -40.8965 -7.32179 -9.35176 -47.9632 -40.2459 -46.6632 14.0943 TIMING: 2079200 CPU: 6496.8, 0.00314874/step Wall: 6496.8, 0.00314874/step, 2.55467 hours remaining, 234.457031 MB of memory in use. ENERGY: 2079200 4037.6989 20396.0825 14392.5449 243.1789 -203380.0186 2636.9165 0.0000 0.0000 51953.2012 -109720.3958 298.5758 -161673.5970 -109357.1759 298.1362 -12.5284 5.8357 760450.2700 2.0290 2.0190 PRESSURE: 2079400 -258.864 -4.87827 -33.2259 -4.87795 -213.735 133.058 -33.2251 133.058 -67.0006 GPRESSURE: 2079400 -268.483 -25.2825 3.48727 -91.219 -102.861 203.982 -66.3394 205.032 -93.6512 PRESSAVG: 2079400 -10.5762 -3.86206 -29.9196 -3.862 18.199 -71.655 -29.9196 -71.6551 -12.093 GPRESSAVG: 2079400 -13.4311 -4.52678 -31.8545 -3.25176 20.8252 -69.771 -29.4685 -72.4101 -11.9134 TIMING: 2079400 CPU: 6497.44, 0.00317799/step Wall: 6497.44, 0.00317799/step, 2.57823 hours remaining, 234.457031 MB of memory in use. ENERGY: 2079400 3980.2854 20296.5703 14396.6281 230.8887 -202942.8611 2339.1579 0.0000 0.0000 52108.2510 -109591.0796 299.4668 -161699.3307 -109216.4334 298.1779 -179.8668 -154.9984 762409.0236 -1.4901 -1.5064 PRESSURE: 2079600 -127.6 -251.568 -102.504 -251.569 -191.147 -163.981 -102.503 -163.982 -418.821 GPRESSURE: 2079600 -82.0847 -142.614 -54.7047 -196.543 -227.987 -158.485 25.19 -82.641 -351.055 PRESSAVG: 2079600 -44.4243 12.0096 5.74298 12.0096 72.9211 -58.4669 5.74301 -58.4669 1.75528 GPRESSAVG: 2079600 -42.9796 10.371 8.02713 13.492 71.2269 -59.6597 4.71521 -58.5853 2.28585 TIMING: 2079600 CPU: 6498.07, 0.00316154/step Wall: 6498.07, 0.00316154/step, 2.56471 hours remaining, 234.457031 MB of memory in use. ENERGY: 2079600 4076.4964 20360.0578 14328.3720 254.8240 -203345.1360 2671.8620 0.0000 0.0000 51893.3903 -109760.1334 298.2320 -161653.5237 -109404.4277 298.5119 -245.8559 -220.3756 762508.6325 10.0840 10.1777 PRESSURE: 2079800 -478.464 -1.24999 138.213 -1.25062 -271.819 -137.952 138.214 -137.952 -535.803 GPRESSURE: 2079800 -361.098 0.911408 136.297 -63.5505 -215.957 -119.941 100.786 -192.974 -627.021 PRESSAVG: 2079800 -38.4451 -19.1306 56.818 -19.1306 24.037 -60.0283 56.818 -60.0282 6.75294 GPRESSAVG: 2079800 -38.8384 -17.2205 55.6565 -21.0869 24.6471 -60.127 56.0087 -59.3392 6.78899 TIMING: 2079800 CPU: 6498.69, 0.00312392/step Wall: 6498.69, 0.00312392/step, 2.53402 hours remaining, 234.457031 MB of memory in use. ENERGY: 2079800 4051.9295 20402.4231 14430.9302 230.0538 -203351.5439 2596.9155 0.0000 0.0000 51872.8579 -109766.4339 298.1140 -161639.2918 -109413.5834 298.0538 -428.6953 -401.3583 764402.7175 -2.5517 -2.4675 PRESSURE: 2080000 -204.352 103.443 69.3693 103.443 -68.7514 -211.641 69.3683 -211.64 -170.373 GPRESSURE: 2080000 -155.613 69.4848 111.898 138.761 18.0991 -188.086 91.6766 -248.687 -224.956 PRESSAVG: 2080000 1.49137 -53.1444 16.8803 -53.1443 73.1721 -29.9469 16.8802 -29.9469 -3.89562 GPRESSAVG: 2080000 1.92922 -54.7793 16.0461 -51.3566 74.1407 -30.3974 19.3174 -28.5531 -4.83586 TIMING: 2080000 CPU: 6499.32, 0.00313523/step Wall: 6499.32, 0.00313523/step, 2.54302 hours remaining, 234.457031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2080000 4067.7924 20498.1292 14434.6142 260.9769 -203414.7103 2749.5056 0.0000 0.0000 51631.7253 -109771.9667 296.7282 -161403.6920 -109417.7383 298.4100 -147.8254 -120.8235 762681.0264 23.5893 23.7447 PRESSURE: 2080200 45.0946 -139.386 105.111 -139.386 61.1045 -69.6111 105.111 -69.6111 -184.054 GPRESSURE: 2080200 101.79 -114.887 50.0219 -171.291 49.9151 -93.4206 32.1527 -78.8145 -159.721 PRESSAVG: 2080200 -8.32599 -20.3228 -3.59341 -20.3228 3.5997 -59.7318 -3.59339 -59.7319 1.63794 GPRESSAVG: 2080200 -8.26837 -20.1728 -2.53179 -21.792 3.67125 -58.0184 -6.62184 -61.9533 1.88896 TIMING: 2080200 CPU: 6499.95, 0.00315798/step Wall: 6499.95, 0.00315798/step, 2.5613 hours remaining, 234.457031 MB of memory in use. ENERGY: 2080200 3960.0575 20416.8514 14429.6231 250.5548 -203351.3084 2673.2976 0.0000 0.0000 51991.1697 -109629.7543 298.7940 -161620.9240 -109265.0407 298.4878 -25.9517 -2.6721 762625.3745 -1.0294 -0.9027 LDB: ============= START OF LOAD BALANCING ============== 6512.44 LDB: ============== END OF LOAD BALANCING =============== 6512.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6512.44 LDB: ============= START OF LOAD BALANCING ============== 6512.75 LDB: Largest compute 6985 load 0.030163 is 15.5% of average load 0.195061 LDB: Average compute 0.004391 is 2.3% of average load 0.195061 LDB: TIME 6512.75 LOAD: AVG 0.195061 MAX 0.216129 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 6512.75 LOAD: AVG 0.195061 MAX 0.216129 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.324 MB LDB: TIME 6512.75 LOAD: AVG 0.195061 MAX 0.216129 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.324 MB LDB: ============== END OF LOAD BALANCING =============== 6512.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6512.76 PRESSURE: 2080400 81.1651 -144.566 -252.978 -144.566 264.506 -62.2138 -252.978 -62.2133 -10.9633 GPRESSURE: 2080400 122.299 -138.508 -225.56 -199.712 287.634 -91.5588 -249.59 -105.556 -1.99119 PRESSAVG: 2080400 -28.4498 -14.9077 20.3802 -14.9076 49.2949 -28.4158 20.3802 -28.4158 -9.66341 GPRESSAVG: 2080400 -28.7805 -15.7895 19.5528 -15.2674 48.7727 -28.802 22.0118 -29.3715 -8.83364 TIMING: 2080400 CPU: 6500.6, 0.00320969/step Wall: 6500.6, 0.00320969/step, 2.60306 hours remaining, 233.742188 MB of memory in use. ENERGY: 2080400 3948.6167 20404.5791 14379.5647 243.4708 -203124.1685 2558.2077 0.0000 0.0000 51951.6449 -109638.0846 298.5668 -161589.7295 -109272.2806 298.5853 111.5691 135.9804 761525.1189 3.7272 3.7195 PRESSURE: 2080600 45.5548 -59.7802 81.3996 -59.7802 135.795 189.861 81.4003 189.863 -240.002 GPRESSURE: 2080600 129.62 -47.1683 63.8143 -134.11 197.976 125.511 125.763 168.495 -272.768 PRESSAVG: 2080600 26.9442 30.3252 -42.3153 30.3253 5.27783 -25.9161 -42.3152 -25.9161 -5.28039 GPRESSAVG: 2080600 27.205 31.731 -41.664 28.9159 5.22735 -26.833 -41.6678 -23.2146 -5.37026 TIMING: 2080600 CPU: 6501.22, 0.00313206/step Wall: 6501.22, 0.00313206/step, 2.53993 hours remaining, 233.742188 MB of memory in use. ENERGY: 2080600 3983.6745 20500.9743 14439.4507 269.7953 -203531.2393 2737.2479 0.0000 0.0000 52039.4792 -109560.6174 299.0716 -161600.0966 -109210.0347 298.2297 -19.5505 18.2762 762498.4254 8.9806 9.0207 PRESSURE: 2080800 0.156591 -144.121 -63.3714 -144.12 -176.607 145.3 -63.3716 145.3 118.245 GPRESSURE: 2080800 -44.3957 -136.018 -68.2638 -120.069 -86.4522 75.2573 -6.69359 208.156 142.743 PRESSAVG: 2080800 0.921355 -9.49538 -31.0061 -9.49539 -50.4128 -36.7674 -31.0062 -36.7675 -2.26475 GPRESSAVG: 2080800 0.768946 -10.4156 -32.9002 -7.98179 -50.6475 -36.6797 -30.983 -38.1626 -1.47848 TIMING: 2080800 CPU: 6501.86, 0.00317631/step Wall: 6501.86, 0.00317631/step, 2.57563 hours remaining, 233.742188 MB of memory in use. ENERGY: 2080800 3936.1839 20520.4446 14417.2148 238.9888 -203611.3779 2835.6268 0.0000 0.0000 52251.6685 -109411.2505 300.2911 -161662.9190 -109045.9282 298.7741 -19.4019 3.9652 761929.0093 -17.2521 -17.1190 PRESSURE: 2081000 86.2119 202.647 -159.516 202.647 123.776 26.0238 -159.516 26.0246 202.688 GPRESSURE: 2081000 217.9 209.148 -146.525 225.936 55.5035 72.2901 -86.6609 -36.2693 203.562 PRESSAVG: 2081000 -29.8665 -1.44025 -36.4258 -1.4403 42.451 -39.1717 -36.4257 -39.1717 -21.6356 GPRESSAVG: 2081000 -30.907 -1.00432 -35.527 -0.715599 43.5283 -38.3626 -36.4312 -40.1724 -20.9795 TIMING: 2081000 CPU: 6502.49, 0.00316435/step Wall: 6502.49, 0.00316435/step, 2.56576 hours remaining, 233.742188 MB of memory in use. ENERGY: 2081000 3950.4992 20572.4783 14430.4497 243.7633 -203591.8239 2637.9066 0.0000 0.0000 51936.2461 -109820.4806 298.4783 -161756.7267 -109460.4208 298.3350 137.5586 158.9882 761239.7579 -3.0170 -2.7861 PRESSURE: 2081200 14.8553 -47.6861 64.6016 -47.6856 18.369 -113.353 64.6012 -113.353 -25.295 GPRESSURE: 2081200 -8.42153 -23.817 16.5583 -44.5285 101.164 -38.4883 23.6536 -126.905 -11.0931 PRESSAVG: 2081200 24.3015 -1.12896 -38.7495 -1.12896 -20.843 22.542 -38.7495 22.5419 1.99894 GPRESSAVG: 2081200 25.389 -0.885903 -37.7214 -3.04094 -20.1544 22.9878 -39.5936 22.5355 0.595073 TIMING: 2081200 CPU: 6503.12, 0.00314654/step Wall: 6503.12, 0.00314654/step, 2.55115 hours remaining, 233.742188 MB of memory in use. ENERGY: 2081200 4047.6926 20358.3202 14390.7112 256.0442 -203253.6860 2358.3097 0.0000 0.0000 51951.3173 -109891.2907 298.5649 -161842.6080 -109514.1296 298.2110 2.6431 27.2166 761665.0340 1.8192 1.9432 PRESSURE: 2081400 214.749 179.012 -21.2287 179.013 -307.263 -129.336 -21.2285 -129.337 229.387 GPRESSURE: 2081400 222.202 195.209 8.67081 204.189 -147.088 -49.8347 -183.072 -187.962 130.579 PRESSAVG: 2081400 7.24443 2.8063 -3.97918 2.80632 11.1637 -29.5199 -3.97916 -29.5199 13.1566 GPRESSAVG: 2081400 8.52874 2.31829 -5.70557 4.40347 10.5905 -30.9548 -4.06878 -27.056 12.6203 TIMING: 2081400 CPU: 6503.75, 0.00317067/step Wall: 6503.75, 0.00317067/step, 2.57053 hours remaining, 233.742188 MB of memory in use. ENERGY: 2081400 4059.4812 20397.3507 14465.9521 248.8604 -203584.4206 2731.3022 0.0000 0.0000 52156.6679 -109524.8061 299.7451 -161681.4740 -109156.5938 298.7074 45.6243 68.5643 761150.2044 10.5216 10.5798 PRESSURE: 2081600 -148.152 3.67953 -100.279 3.67968 -118.117 100.238 -100.279 100.237 -5.94619 GPRESSURE: 2081600 -78.0315 32.6556 -59.1075 29.5452 -86.3011 32.1983 -5.04699 9.52998 -16.4539 PRESSAVG: 2081600 -15.1699 23.0048 17.3965 23.0049 -12.3171 4.53758 17.3965 4.53746 13.0908 GPRESSAVG: 2081600 -15.6889 23.2873 20.0722 22.1203 -12.3999 4.30829 16.7604 0.186739 13.0941 TIMING: 2081600 CPU: 6504.38, 0.00314965/step Wall: 6504.38, 0.00314965/step, 2.55331 hours remaining, 233.742188 MB of memory in use. ENERGY: 2081600 4012.5054 20371.8034 14502.2923 247.4132 -203148.6870 2503.2648 0.0000 0.0000 52267.2020 -109244.2058 300.3803 -161511.4078 -108870.2653 299.5802 -90.7385 -60.2622 760475.8129 -4.7987 -4.9982 PRESSURE: 2081800 -228.094 -26.013 -54.2158 -26.0122 -410.517 -224.78 -54.2155 -224.779 272.587 GPRESSURE: 2081800 -275.902 62.4329 2.0945 14.9668 -334.616 -184.541 -10.4402 -71.7963 315.291 PRESSAVG: 2081800 4.93723 12.6007 19.2649 12.6007 16.5917 -20.4016 19.2648 -20.4016 0.983028 GPRESSAVG: 2081800 4.89215 12.8457 17.2697 12.6399 16.8386 -19.8662 19.3283 -16.759 0.619329 TIMING: 2081800 CPU: 6505.01, 0.0031421/step Wall: 6505.01, 0.0031421/step, 2.54702 hours remaining, 233.742188 MB of memory in use. ENERGY: 2081800 3940.5986 20728.1731 14469.8413 251.3197 -203165.5370 2435.2696 0.0000 0.0000 52092.6334 -109247.7014 299.3771 -161340.3348 -108891.7070 299.7491 -122.0080 -98.4089 761445.7748 7.5040 7.4500 PRESSURE: 2082000 77.6536 -55.6648 139.717 -55.665 -144.828 -104.461 139.717 -104.462 86.9926 GPRESSURE: 2082000 57.0997 -54.518 176.208 -76.8895 -62.7573 -187.432 109.624 -168.302 124.692 PRESSAVG: 2082000 -27.9289 17.1534 93.01 17.1534 12.5808 -47.3974 93.0099 -47.3975 31.636 GPRESSAVG: 2082000 -28.2962 17.0833 92.9334 18.432 12.2337 -48.6299 93.1763 -48.8908 32.438 TIMING: 2082000 CPU: 6505.63, 0.00310819/step Wall: 6505.63, 0.0031082/step, 2.51937 hours remaining, 233.742188 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: 2082000 3933.4910 20713.6752 14377.3051 237.5681 -202486.7984 2323.7384 0.0000 0.0000 51831.9754 -109069.0451 297.8791 -160901.0206 -108711.1799 299.3085 6.6060 39.6782 761598.4443 5.4293 5.4585 PRESSURE: 2082200 128.602 63.0446 90.8139 63.044 357.979 -93.9469 90.8141 -93.9475 324.323 GPRESSURE: 2082200 130.253 1.05672 10.9911 148.774 429.063 -55.0042 149.558 -49.5213 319.021 PRESSAVG: 2082200 5.67433 -9.4113 49.4937 -9.41135 1.84507 -46.8368 49.4937 -46.8369 -5.49829 GPRESSAVG: 2082200 5.3663 -8.32873 50.4332 -11.9508 2.69294 -44.032 50.3594 -49.3511 -6.51715 TIMING: 2082200 CPU: 6506.26, 0.00313327/step Wall: 6506.26, 0.00313327/step, 2.53951 hours remaining, 233.742188 MB of memory in use. ENERGY: 2082200 3982.7856 20644.3551 14451.7358 256.4676 -203234.9199 2875.8575 0.0000 0.0000 51981.7455 -109041.9729 298.7398 -161023.7184 -108677.3156 299.6281 270.3013 292.7790 760491.8548 0.6737 0.5140 PRESSURE: 2082400 53.7391 106.062 7.78334 106.063 501.755 32.8445 7.78383 32.8448 146.872 GPRESSURE: 2082400 191.013 16.043 -30.5015 56.7712 373.305 -44.9779 28.7753 114.782 220.4 PRESSAVG: 2082400 -62.4717 -71.4723 105.168 -71.4724 0.475515 -19.6796 105.168 -19.6795 -11.3854 GPRESSAVG: 2082400 -62.6095 -71.7953 104.483 -70.5077 -0.523514 -23.2362 103.967 -17.098 -9.68707 TIMING: 2082400 CPU: 6506.89, 0.00317416/step Wall: 6506.89, 0.00317416/step, 2.57248 hours remaining, 233.742188 MB of memory in use. ENERGY: 2082400 3954.6288 20410.3861 14376.4269 257.9746 -203009.2739 2768.9150 0.0000 0.0000 52327.9910 -108912.9514 300.7297 -161240.9425 -108548.7017 299.5809 234.1217 261.5728 761032.2322 -24.4605 -24.2734 PRESSURE: 2082600 381.553 35.3785 -39.6467 35.3791 -204.401 190.328 -39.6461 190.326 13.5706 GPRESSURE: 2082600 356.771 84.8188 -109.019 -2.00782 -119.298 176.604 -20.7105 289.45 29.9399 PRESSAVG: 2082600 -13.7786 1.01658 8.27159 1.01656 42.0824 0.629403 8.27158 0.62939 4.03758 GPRESSAVG: 2082600 -13.7289 0.817752 8.90283 0.958661 42.8661 -0.0176531 7.66832 0.0262517 2.86159 TIMING: 2082600 CPU: 6507.53, 0.00317213/step Wall: 6507.53, 0.00317213/step, 2.57066 hours remaining, 233.742188 MB of memory in use. ENERGY: 2082600 4018.4902 20579.8855 14504.6672 242.4731 -202911.6683 2628.4203 0.0000 0.0000 51967.2543 -108970.4778 298.6565 -160937.7321 -108605.1510 299.8659 63.5741 89.1377 762230.8052 10.7804 10.6663 PRESSURE: 2082800 -224.186 -138.347 -137.126 -138.346 -92.4877 144.105 -137.125 144.104 -296.257 GPRESSURE: 2082800 -197.821 -74.9756 -102.267 -160.662 -26.3544 100.282 -224.404 159.717 -296.923 PRESSAVG: 2082800 18.8595 20.1462 18.2922 20.1461 15.6161 19.8875 18.2921 19.8875 -12.2637 GPRESSAVG: 2082800 17.8225 21.2831 17.7288 19.5208 16.4506 20.7003 18.5857 21.5564 -12.1563 TIMING: 2082800 CPU: 6508.16, 0.00316794/step Wall: 6508.16, 0.00316794/step, 2.56708 hours remaining, 233.742188 MB of memory in use. ENERGY: 2082800 4087.8576 20468.4232 14441.1884 260.9270 -202931.4068 2396.6677 0.0000 0.0000 52196.4234 -109079.9194 299.9736 -161276.3428 -108724.1607 299.7117 -204.3103 -173.6993 762688.8432 7.4040 7.3723 PRESSURE: 2083000 299.915 1.59701 -106.144 1.59658 459.128 200.608 -106.144 200.606 422.286 GPRESSURE: 2083000 376.649 -65.0816 -84.6392 -152.488 407.074 244.492 -8.93411 54.1631 475.114 PRESSAVG: 2083000 -6.83419 -13.3631 -20.2051 -13.3631 6.64421 -8.17852 -20.2051 -8.17855 10.4922 GPRESSAVG: 2083000 -5.05506 -14.6625 -20.0429 -12.7837 4.89053 -6.83273 -18.8561 -10.6354 9.89222 TIMING: 2083000 CPU: 6508.8, 0.00318362/step Wall: 6508.8, 0.00318362/step, 2.57962 hours remaining, 233.742188 MB of memory in use. ENERGY: 2083000 3966.8887 20513.1205 14384.7583 227.6948 -203336.0449 2902.2690 0.0000 0.0000 52267.3589 -109073.9546 300.3812 -161341.3134 -108711.3041 298.9587 393.7765 419.6125 761185.1243 3.4341 3.2426 PRESSURE: 2083200 -318.015 -42.084 -259.253 -42.0839 -406.137 -134.468 -259.253 -134.468 -373.311 GPRESSURE: 2083200 -348.295 -66.4896 -158.136 -31.8298 -364.018 -126.516 -198.482 -185.408 -309.659 PRESSAVG: 2083200 -31.4142 -72.0788 -11.5233 -72.0788 19.1787 15.0855 -11.5233 15.0856 -3.37458 GPRESSAVG: 2083200 -33.655 -70.034 -11.2229 -73.1158 20.6946 13.3764 -12.3118 16.7225 -3.31708 TIMING: 2083200 CPU: 6509.44, 0.00319766/step Wall: 6509.44, 0.00319766/step, 2.59082 hours remaining, 233.742188 MB of memory in use. ENERGY: 2083200 4015.3758 20619.8003 14414.2949 251.2137 -202809.9640 2323.6491 0.0000 0.0000 52220.6792 -108964.9510 300.1130 -161185.6302 -108614.7813 299.3591 -365.8210 -340.6573 764200.3500 -5.2034 -5.4258 PRESSURE: 2083400 -49.6128 202.438 -41.0758 202.438 34.0723 222.379 -41.0751 222.379 189.307 GPRESSURE: 2083400 18.1179 106.327 50.1527 110.289 80.881 245.302 -214.484 105.723 159.715 PRESSAVG: 2083400 15.13 13.0896 31.2531 13.0896 0.951758 -10.7018 31.2532 -10.7018 -12.4596 GPRESSAVG: 2083400 16.0021 12.8224 31.408 11.816 1.67777 -9.82087 30.6294 -12.431 -13.7988 TIMING: 2083400 CPU: 6510.07, 0.00316668/step Wall: 6510.07, 0.00316668/step, 2.56554 hours remaining, 233.742188 MB of memory in use. ENERGY: 2083400 3998.3649 20554.9017 14477.4747 235.0517 -203025.9793 2725.1246 0.0000 0.0000 51992.3297 -109042.7320 298.8006 -161035.0617 -108679.0002 299.2245 57.9223 86.2380 764087.2146 1.2074 1.2937 PRESSURE: 2083600 -335.023 296.223 -185.806 296.224 -32.2627 34.2898 -185.806 34.2901 -39.2978 GPRESSURE: 2083600 -230.105 176.387 -180.761 331.436 -10.021 -2.9487 -146.067 84.8133 -89.8882 PRESSAVG: 2083600 11.9452 27.657 6.95172 27.6571 16.6316 22.2448 6.95167 22.2447 34.011 GPRESSAVG: 2083600 12.0049 24.5221 6.92428 30.6985 15.4418 22.6022 7.08941 22.9585 34.6029 TIMING: 2083600 CPU: 6510.7, 0.00316003/step Wall: 6510.7, 0.00316003/step, 2.55997 hours remaining, 233.742188 MB of memory in use. ENERGY: 2083600 3982.9732 20548.4622 14465.1465 262.9153 -202908.0538 2480.6081 0.0000 0.0000 52273.7247 -108894.2238 300.4178 -161167.9486 -108528.6295 299.4448 -135.5278 -110.0047 762690.4389 20.8626 20.6832 PRESSURE: 2083800 132.546 -59.0973 55.1211 -59.0972 71.6418 150.402 55.1205 150.402 -107.501 GPRESSURE: 2083800 68.3265 -98.3106 8.13126 -82.3759 144.061 150.384 161.66 32.9925 -39.2244 PRESSAVG: 2083800 10.812 22.5146 3.40235 22.5146 14.5088 9.25861 3.4023 9.25849 10.4878 GPRESSAVG: 2083800 10.9341 25.5474 2.61435 20.577 14.1149 8.91773 2.5983 9.69084 11.3492 TIMING: 2083800 CPU: 6511.34, 0.00315752/step Wall: 6511.34, 0.00315752/step, 2.55777 hours remaining, 233.742188 MB of memory in use. ENERGY: 2083800 3987.2124 20412.1263 14391.3097 235.9511 -202720.9339 2451.0836 0.0000 0.0000 52124.9376 -109118.3132 299.5627 -161243.2508 -108743.5799 299.4458 32.2289 57.7210 761844.0972 11.9362 12.1327 PRESSURE: 2084000 341.111 31.0592 34.1349 31.0594 -256.241 -201.637 34.1358 -201.637 186.895 GPRESSURE: 2084000 301.284 73.6869 27.6565 -29.4072 -189.63 -158.759 -146.7 -140.45 216.063 PRESSAVG: 2084000 -12.724 -34.971 -0.221216 -34.971 -69.5875 -35.0402 -0.221277 -35.0402 -8.97906 GPRESSAVG: 2084000 -12.7318 -35.8808 0.520494 -35.6843 -70.0739 -35.7067 0.719334 -34.1115 -8.70149 TIMING: 2084000 CPU: 6511.97, 0.00315554/step Wall: 6511.97, 0.00315554/step, 2.55599 hours remaining, 233.742188 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: 2084000 4011.5434 20545.5824 14469.8752 227.7191 -203024.6401 2636.1974 0.0000 0.0000 52212.1955 -108921.5272 300.0642 -161133.7227 -108558.3022 299.3410 90.5886 109.2388 761661.0925 -30.4302 -30.5024 PRESSURE: 2084200 -45.0987 -241.507 -218.839 -241.506 -202.486 -360.807 -218.839 -360.806 171.338 GPRESSURE: 2084200 15.731 -235.014 -224.073 -138.592 -233.118 -333.811 -325.765 -256.652 216.395 PRESSAVG: 2084200 35.2102 15.7184 -22.7926 15.7183 -11.6103 -19.3364 -22.7926 -19.3363 0.116414 GPRESSAVG: 2084200 34.4841 14.1986 -22.611 18.1156 -11.043 -18.9484 -24.0402 -20.0427 -0.200735 TIMING: 2084200 CPU: 6512.6, 0.00314408/step Wall: 6512.6, 0.00314408/step, 2.54653 hours remaining, 233.742188 MB of memory in use. ENERGY: 2084200 3963.7841 20621.7350 14392.9978 246.8272 -202688.7625 2412.3597 0.0000 0.0000 51950.2249 -109100.8338 298.5587 -161051.0587 -108745.8856 299.8679 -25.4154 -0.3307 760939.9018 7.9054 7.7468 LDB: ============= START OF LOAD BALANCING ============== 6525.08 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6525.08 LDB: =============== DONE WITH MIGRATION ================ 6525.08 LDB: ============= START OF LOAD BALANCING ============== 6525.39 LDB: Largest compute 6985 load 0.030635 is 15.7% of average load 0.194964 LDB: Average compute 0.004402 is 2.3% of average load 0.194964 LDB: TIME 6525.4 LOAD: AVG 0.194964 MAX 0.215868 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.023 MB LDB: TIME 6525.4 LOAD: AVG 0.194964 MAX 0.215868 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.117 MB LDB: TIME 6525.4 LOAD: AVG 0.194964 MAX 0.215868 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.117 MB LDB: ============== END OF LOAD BALANCING =============== 6525.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6525.4 PRESSURE: 2084400 287.379 1.02917 -314.556 1.02925 -211.964 57.5601 -314.556 57.56 -75.9133 GPRESSURE: 2084400 336.37 -28.9076 -205.717 68.1346 -174.712 -20.5548 -276.637 179.179 -88.2844 PRESSAVG: 2084400 30.8754 1.31183 1.93387 1.31182 -9.08897 -26.2147 1.93393 -26.2147 1.60602 GPRESSAVG: 2084400 30.8348 1.08349 0.621531 0.876973 -8.5817 -25.0647 2.66797 -24.8705 1.4161 TIMING: 2084400 CPU: 6513.24, 0.00320898/step Wall: 6513.24, 0.00320898/step, 2.59892 hours remaining, 234.109375 MB of memory in use. ENERGY: 2084400 3993.6427 20527.0202 14402.2289 252.0545 -203100.6425 2600.3933 0.0000 0.0000 52453.0252 -108872.2776 301.4483 -161325.3029 -108508.4165 299.5872 -0.1660 24.4577 760729.2008 7.7975 7.8897 PRESSURE: 2084600 36.4669 -84.1765 -19.8448 -84.176 -332.02 -75.8848 -19.845 -75.8839 -101.123 GPRESSURE: 2084600 48.808 -202.946 -47.0515 -215.494 -330.623 -183.83 -65.1952 -21.8316 -14.4745 PRESSAVG: 2084600 4.24169 18.4641 26.4831 18.4641 -20.7874 39.0999 26.4831 39.0999 -0.485594 GPRESSAVG: 2084600 5.08451 17.8636 28.1631 16.7531 -20.6282 37.3625 26.5394 38.7303 -0.97462 TIMING: 2084600 CPU: 6513.87, 0.00317883/step Wall: 6513.87, 0.00317883/step, 2.57432 hours remaining, 234.312500 MB of memory in use. ENERGY: 2084600 4044.6865 20611.0648 14420.8319 260.0357 -202683.0468 2658.6651 0.0000 0.0000 51894.6752 -108793.0876 298.2394 -160687.7628 -108431.0537 299.8099 -132.2254 -98.7632 761949.5821 -5.6771 -5.5061 PRESSURE: 2084800 15.3235 205.225 -52.6253 205.224 72.9527 -133.382 -52.6259 -133.383 -415.675 GPRESSURE: 2084800 101.045 280.641 -50.7855 177.13 29.8796 -105.141 -61.4545 -121.363 -377.473 PRESSAVG: 2084800 -3.1527 37.1406 -14.404 37.1406 -16.8018 -47.4778 -14.4039 -47.4777 -7.1728 GPRESSAVG: 2084800 -2.11256 39.0298 -15.0546 34.7323 -17.7405 -46.9642 -13.0929 -48.1395 -6.80238 TIMING: 2084800 CPU: 6514.51, 0.00318318/step Wall: 6514.51, 0.00318318/step, 2.57767 hours remaining, 234.312500 MB of memory in use. ENERGY: 2084800 4009.5587 20641.5900 14389.2404 238.1277 -203086.3039 2781.7584 0.0000 0.0000 52153.8909 -108872.1378 299.7291 -161026.0287 -108509.3531 300.2146 -109.1331 -82.1828 761912.7549 -9.0424 -8.8851 PRESSURE: 2085000 -171.821 50.5145 162.543 50.5139 177.863 40.0298 162.544 40.0293 -18.2414 GPRESSURE: 2085000 -83.6188 127.822 141.773 36.0261 177.552 20.5139 94.8291 -7.29625 -6.52354 PRESSAVG: 2085000 -5.45018 9.51174 -57.138 9.51179 -18.1357 -12.1992 -57.138 -12.1991 2.53229 GPRESSAVG: 2085000 -6.32097 10.037 -58.3159 11.3588 -17.7923 -12.5215 -55.0573 -13.4474 3.1767 TIMING: 2085000 CPU: 6515.15, 0.00318213/step Wall: 6515.15, 0.00318213/step, 2.57664 hours remaining, 234.312500 MB of memory in use. ENERGY: 2085000 4011.7146 20605.1975 14333.1344 253.5280 -203157.8501 2646.0393 0.0000 0.0000 52245.9678 -109062.2685 300.2583 -161308.2363 -108699.2051 299.9696 -4.0666 29.1366 762341.4272 -7.0179 -6.9789 PRESSURE: 2085200 -93.9882 -197.132 -5.13558 -197.131 -442.733 161.818 -5.13569 161.818 -204.607 GPRESSURE: 2085200 -132.381 -270.814 14.6678 -73.6628 -403.389 88.9037 -19.1136 150.783 -133.848 PRESSAVG: 2085200 38.4 -1.31635 17.964 -1.31648 -33.036 -44.1708 17.9641 -44.1707 11.6086 GPRESSAVG: 2085200 38.493 -2.6116 18.5225 -0.0529268 -33.7536 -42.661 16.4543 -43.0878 11.6943 TIMING: 2085200 CPU: 6515.79, 0.00321283/step Wall: 6515.79, 0.00321283/step, 2.60132 hours remaining, 234.312500 MB of memory in use. ENERGY: 2085200 4041.2193 20255.0072 14425.9903 246.6899 -203013.1428 2557.3166 0.0000 0.0000 52281.7226 -109205.1971 300.4638 -161486.9196 -108833.7707 299.2804 -247.1094 -223.2062 762597.1105 5.6575 5.4779 PRESSURE: 2085400 -323.255 23.1212 134.582 23.1213 58.4611 -8.48114 134.582 -8.48099 -247.152 GPRESSURE: 2085400 -279.338 -95.1421 127.13 -50.8178 91.592 -1.12 182.275 -127.123 -242.724 PRESSAVG: 2085400 18.9789 -43.599 18.9595 -43.599 3.08228 29.986 18.9595 29.9861 12.7271 GPRESSAVG: 2085400 19.4506 -45.3284 19.7411 -44.8465 3.94662 29.1388 17.1513 29.5961 11.5685 TIMING: 2085400 CPU: 6516.42, 0.00316764/step Wall: 6516.42, 0.00316764/step, 2.56455 hours remaining, 234.312500 MB of memory in use. ENERGY: 2085400 3946.2376 20621.8609 14393.6466 230.7319 -203350.0507 2781.1493 0.0000 0.0000 52201.0180 -109175.4065 300.0000 -161376.4245 -108813.0309 298.9217 -170.6485 -143.4900 761786.2622 11.5961 11.6553 PRESSURE: 2085600 -145.941 -117.138 72.8482 -117.138 -126.356 -24.5612 72.8483 -24.5602 -133.925 GPRESSURE: 2085600 -93.9507 -131.393 -24.7959 -121.312 -23.0535 68.9488 16.8157 -46.1574 -200.123 PRESSAVG: 2085600 -49.5283 -77.4527 -6.76066 -77.4527 -1.75269 -65.5607 -6.76063 -65.5607 -12.3049 GPRESSAVG: 2085600 -50.9717 -76.1526 -6.25436 -74.8778 -1.43868 -66.2052 -7.32226 -61.8912 -11.6648 TIMING: 2085600 CPU: 6517.06, 0.00317756/step Wall: 6517.06, 0.00317756/step, 2.57241 hours remaining, 234.312500 MB of memory in use. ENERGY: 2085600 3951.7793 20511.4629 14284.5305 233.6050 -203265.1644 2969.7262 0.0000 0.0000 52127.6266 -109186.4339 299.5782 -161314.0605 -108825.0374 299.0329 -135.4074 -105.7091 763183.5960 -21.1953 -21.3584 PRESSURE: 2085800 -296.452 167.9 -163.056 167.9 -308.265 176.357 -163.057 176.356 -433.933 GPRESSURE: 2085800 -296.323 231.965 -190.9 220.935 -265.371 151.655 -122.889 114.254 -381.361 PRESSAVG: 2085800 -1.35608 -23.5855 36.9419 -23.5856 36.2144 2.46559 36.9418 2.46557 5.95411 GPRESSAVG: 2085800 -1.57014 -22.482 36.2441 -26.9788 36.3297 4.27023 38.1218 -1.22026 6.40281 TIMING: 2085800 CPU: 6517.7, 0.00318809/step Wall: 6517.7, 0.00318808/step, 2.58075 hours remaining, 234.312500 MB of memory in use. ENERGY: 2085800 3959.6182 20406.6354 14321.3974 219.4218 -203008.6471 2600.8869 0.0000 0.0000 52166.5186 -109334.1688 299.8017 -161500.6874 -108965.1591 299.3249 -346.2165 -314.3515 761609.8164 13.6041 13.7208 PRESSURE: 2086000 383.047 89.9863 107.585 89.9855 71.7282 43.2388 107.585 43.2381 -328.414 GPRESSURE: 2086000 505.713 -26.7067 131.648 143.697 50.9876 5.03495 76.5242 95.5796 -349.582 PRESSAVG: 2086000 -35.528 5.93632 -20.7123 5.93636 11.7002 16.2765 -20.7122 16.2765 20.4709 GPRESSAVG: 2086000 -33.821 4.58609 -19.6297 7.81424 10.6614 15.3357 -20.688 15.5455 19.8048 TIMING: 2086000 CPU: 6518.33, 0.00316888/step Wall: 6518.33, 0.00316888/step, 2.56503 hours remaining, 234.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2086000 3910.8402 20473.6337 14401.6237 233.6129 -202797.9214 2649.4123 0.0000 0.0000 51879.6849 -109249.1138 298.1533 -161128.7987 -108888.9816 298.6596 42.1204 69.0398 762419.4591 -1.1190 -1.1183 PRESSURE: 2086200 -103.847 -15.3333 -63.4378 -15.3331 -142.322 -11.7115 -63.4367 -11.7099 -169.283 GPRESSURE: 2086200 -78.9877 44.8755 16.8837 -134.218 -108.322 -9.54233 -80.1337 28.5655 -149.742 PRESSAVG: 2086200 88.7237 38.1213 50.2877 38.1213 -53.4899 -2.98286 50.2877 -2.98287 6.82427 GPRESSAVG: 2086200 89.0292 39.5442 47.9023 36.0809 -53.2565 -4.16249 50.8634 -1.17893 6.49763 TIMING: 2086200 CPU: 6518.96, 0.00314378/step Wall: 6518.96, 0.00314378/step, 2.54454 hours remaining, 234.312500 MB of memory in use. ENERGY: 2086200 4024.2948 20632.9161 14376.3364 262.2581 -203443.9946 2899.7858 0.0000 0.0000 52113.0242 -109135.3793 299.4943 -161248.4034 -108777.3939 299.1856 -138.4840 -112.3508 762014.5387 14.0193 14.0901 PRESSURE: 2086400 43.0008 -27.8628 -413.346 -27.8634 -378.629 81.413 -413.345 81.4141 -217.124 GPRESSURE: 2086400 33.7834 51.4025 -431.592 21.6933 -260.275 169.161 -306.999 -1.47726 -268.143 PRESSAVG: 2086400 34.2084 -9.13728 -1.85114 -9.13728 -43.5727 -41.7052 -1.85115 -41.7053 -12.8116 GPRESSAVG: 2086400 32.6184 -11.0702 -0.615107 -8.43594 -42.9319 -39.0649 -1.78085 -41.2152 -11.8413 TIMING: 2086400 CPU: 6519.59, 0.00314689/step Wall: 6519.59, 0.00314689/step, 2.54688 hours remaining, 234.312500 MB of memory in use. ENERGY: 2086400 4011.9691 20480.9594 14324.4548 256.1154 -203071.0351 2507.0921 0.0000 0.0000 52352.5164 -109137.9279 300.8706 -161490.4443 -108770.0902 299.9173 -184.2509 -164.8783 762299.4792 -7.3920 -7.3849 PRESSURE: 2086600 -184.116 -153.79 -32.5906 -153.791 -302.1 -127.36 -32.5909 -127.359 -25.6094 GPRESSURE: 2086600 -179.694 -121.203 -44.9276 -258.558 -211.54 -95.0457 -77.0084 15.5321 -21.0318 PRESSAVG: 2086600 65.4837 -20.5715 -52.9749 -20.5715 -26.2046 -11.1233 -52.9748 -11.1232 9.07876 GPRESSAVG: 2086600 67.491 -20.2915 -52.3373 -19.6737 -27.2239 -11.7831 -53.7348 -10.69 7.93326 TIMING: 2086600 CPU: 6520.22, 0.00316644/step Wall: 6520.22, 0.00316644/step, 2.56253 hours remaining, 234.312500 MB of memory in use. ENERGY: 2086600 4029.0268 20516.8269 14358.8839 251.3300 -203051.5130 2577.4770 0.0000 0.0000 52043.0695 -109274.8989 299.0922 -161317.9684 -108912.2675 299.3320 -170.6086 -137.4220 762002.8637 16.1193 16.0668 PRESSURE: 2086800 37.2889 261.276 6.67522 261.277 -96.9246 -259.79 6.67467 -259.789 -242.218 GPRESSURE: 2086800 31.9978 224.59 37.7176 174.22 1.94482 -201.586 114.249 -302.162 -231.72 PRESSAVG: 2086800 -7.94157 -36.3393 -9.69844 -36.3393 -6.35552 -9.36183 -9.69841 -9.36187 -4.05208 GPRESSAVG: 2086800 -9.36934 -37.6505 -10.3054 -37.8497 -5.94467 -9.08139 -9.5314 -10.1055 -2.89778 TIMING: 2086800 CPU: 6520.85, 0.00315462/step Wall: 6520.85, 0.00315462/step, 2.55279 hours remaining, 234.312500 MB of memory in use. ENERGY: 2086800 3985.6575 20722.5043 14490.7151 252.3512 -203543.4598 2894.9130 0.0000 0.0000 52036.6066 -109160.7122 299.0551 -161197.3189 -108807.7726 299.4597 -100.6179 -65.9258 762221.1396 -6.1164 -6.0706 PRESSURE: 2087000 160.699 121.937 76.8468 121.937 -67.9664 -67.6645 76.8469 -67.6653 -211.225 GPRESSURE: 2087000 305.337 131.047 -13.9549 76.2056 -176.04 -124.014 63.2006 -95.4774 -154.605 PRESSAVG: 2087000 6.24999 1.02457 51.033 1.0246 19.111 -31.1173 51.033 -31.1172 -17.9207 GPRESSAVG: 2087000 5.73302 2.41815 50.3667 0.992409 19.0116 -33.4885 51.6361 -32.6214 -17.3281 TIMING: 2087000 CPU: 6521.49, 0.00317087/step Wall: 6521.49, 0.00317086/step, 2.56576 hours remaining, 234.312500 MB of memory in use. ENERGY: 2087000 4030.4983 20592.8965 14447.9904 244.6623 -203328.5346 2543.7271 0.0000 0.0000 52303.6420 -109165.1181 300.5897 -161468.7601 -108805.7999 300.0527 -39.4976 -8.4363 762226.0838 2.4801 2.4722 PRESSURE: 2087200 19.7369 -154.345 -104.621 -154.345 -261.07 -62.6394 -104.622 -62.6375 113.511 GPRESSURE: 2087200 96.4689 -96.7841 -55.6691 -105.768 -264.769 -195.261 -127.556 20.6964 129.657 PRESSAVG: 2087200 2.14303 2.12181 -3.57259 2.12181 -11.9549 14.8926 -3.57264 14.8926 16.1718 GPRESSAVG: 2087200 4.65667 1.20388 -3.70583 3.80107 -13.2696 13.5375 -3.35451 15.6482 15.1996 TIMING: 2087200 CPU: 6522.12, 0.00317101/step Wall: 6522.12, 0.00317101/step, 2.5657 hours remaining, 234.312500 MB of memory in use. ENERGY: 2087200 3933.7010 20698.2164 14451.9143 242.6578 -203166.2864 2512.5705 0.0000 0.0000 52183.4001 -109143.8262 299.8987 -161327.2264 -108783.4078 299.9534 -42.6075 -12.8812 761910.9510 2.1200 2.1956 PRESSURE: 2087400 18.5882 -226.711 184.049 -226.711 -212.515 -52.9499 184.049 -52.9509 77.385 GPRESSURE: 2087400 43.7519 -316.743 170.714 -325.459 -151.594 -125.168 118.698 8.02512 68.5896 PRESSAVG: 2087400 55.5157 -84.4238 25.4589 -84.4238 -33.294 3.58046 25.4589 3.58051 -5.54069 GPRESSAVG: 2087400 53.9331 -84.1088 26.5628 -84.7228 -32.1662 6.61699 22.8095 1.8387 -5.47312 TIMING: 2087400 CPU: 6522.75, 0.00314737/step Wall: 6522.75, 0.00314737/step, 2.54639 hours remaining, 234.312500 MB of memory in use. ENERGY: 2087400 3994.3705 20724.9649 14386.5686 246.5102 -203030.8453 2237.9475 0.0000 0.0000 52256.1312 -109184.3523 300.3167 -161440.4835 -108818.7697 299.0708 -38.8472 -13.0841 760509.0989 5.5603 5.4313 PRESSURE: 2087600 339.749 15.5974 -5.02651 15.5982 208.413 212.207 -5.02673 212.208 -103.018 GPRESSURE: 2087600 291.821 108.907 28.4002 39.6225 310.121 239.517 -104.15 91.9645 -90.2763 PRESSAVG: 2087600 106.725 -95.2317 -33.9629 -95.2316 -31.1527 -10.626 -33.9628 -10.6261 40.7132 GPRESSAVG: 2087600 106.455 -95.5128 -35.3555 -95.2707 -31.1836 -10.2218 -31.3698 -9.73524 40.8509 TIMING: 2087600 CPU: 6523.38, 0.00317389/step Wall: 6523.38, 0.00317389/step, 2.56768 hours remaining, 234.312500 MB of memory in use. ENERGY: 2087600 3969.2780 20675.6589 14478.4815 261.2663 -203346.8806 2665.4357 0.0000 0.0000 52110.7209 -109186.0393 299.4810 -161296.7602 -108824.8011 299.6321 148.3813 170.5551 761238.3145 38.7617 38.7075 PRESSURE: 2087800 -228.865 -178.11 -1.02104 -178.11 -151.262 -9.86934 -1.02057 -9.86943 -554.783 GPRESSURE: 2087800 -236.23 -181.765 -7.98414 -138.622 -122.882 40.8852 62.4679 73.1881 -501.596 PRESSAVG: 2087800 -6.09709 -42.3035 2.25379 -42.3035 28.0765 47.1602 2.25386 47.1601 -22.786 GPRESSAVG: 2087800 -6.15116 -39.7255 4.04474 -42.5589 26.9641 45.9977 1.32019 47.318 -22.0685 TIMING: 2087800 CPU: 6524.02, 0.00315478/step Wall: 6524.02, 0.00315478/step, 2.55204 hours remaining, 234.312500 MB of memory in use. ENERGY: 2087800 4035.7260 20502.4875 14406.1177 244.0491 -203157.0245 2721.4749 0.0000 0.0000 52226.0332 -109021.1360 300.1437 -161247.1692 -108656.2203 299.8443 -311.6369 -286.9027 763682.7603 -0.2689 -0.4185 PRESSURE: 2088000 -111.894 95.1479 -41.2839 95.1478 -420.569 -16.2269 -41.2839 -16.2265 -227.314 GPRESSURE: 2088000 -201.862 201.305 29.5809 101.574 -261.57 -35.5825 26.535 -101.484 -207.294 PRESSAVG: 2088000 59.4287 7.79394 -6.35798 7.79395 -7.94793 -15.7758 -6.35794 -15.7758 23.7117 GPRESSAVG: 2088000 59.538 5.76418 -6.1185 8.30973 -6.98498 -14.1376 -6.66925 -16.9136 22.5157 TIMING: 2088000 CPU: 6524.65, 0.00315868/step Wall: 6524.65, 0.00315868/step, 2.55502 hours remaining, 234.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2088000 3989.7186 20725.2617 14380.8324 255.1903 -203175.3506 2460.5849 0.0000 0.0000 52340.3125 -109023.4502 300.8005 -161363.7627 -108660.9665 300.1400 -253.2591 -223.5756 763541.1363 25.0642 25.0229 PRESSURE: 2088200 -355.194 -69.0658 -105.587 -69.0667 4.71973 -54.184 -105.586 -54.1854 260.494 GPRESSURE: 2088200 -278.701 -54.2573 -116.604 -32.5972 -34.2335 -209.958 -30.2939 44.8921 311.403 PRESSAVG: 2088200 -98.4417 -13.8762 -30.4885 -13.8762 80.6434 6.53979 -30.4885 6.53974 24.861 GPRESSAVG: 2088200 -99.028 -15.4361 -32.5803 -12.563 80.6442 6.21028 -28.2864 8.16552 25.4453 TIMING: 2088200 CPU: 6525.28, 0.00315965/step Wall: 6525.28, 0.00315965/step, 2.55563 hours remaining, 234.312500 MB of memory in use. ENERGY: 2088200 4054.1141 20616.9865 14424.5575 256.0361 -203113.6820 2498.9698 0.0000 0.0000 52107.8960 -109155.1219 299.4648 -161263.0179 -108790.1499 299.9299 -29.9932 -0.5105 762885.9087 2.3542 2.3538 LDB: ============= START OF LOAD BALANCING ============== 6537.76 LDB: ============== END OF LOAD BALANCING =============== 6537.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6537.76 LDB: ============= START OF LOAD BALANCING ============== 6538.07 LDB: Largest compute 7058 load 0.032316 is 16.6% of average load 0.195025 LDB: Average compute 0.004396 is 2.3% of average load 0.195025 LDB: TIME 6538.08 LOAD: AVG 0.195025 MAX 0.215174 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.824 MB LDB: TIME 6538.08 LOAD: AVG 0.195025 MAX 0.215174 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.828 MB LDB: TIME 6538.08 LOAD: AVG 0.195025 MAX 0.215174 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.828 MB LDB: ============== END OF LOAD BALANCING =============== 6538.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6538.09 PRESSURE: 2088400 -553.072 182.398 102.598 182.397 -14.5408 -84.7952 102.597 -84.7949 330.664 GPRESSURE: 2088400 -459.137 232.081 189.053 175.369 38.4983 -71.3134 193.084 71.0877 256.516 PRESSAVG: 2088400 -23.8801 36.6055 16.2204 36.6055 8.54092 -60.187 16.2205 -60.1869 15.4695 GPRESSAVG: 2088400 -23.3133 37.7465 17.2558 35.2707 7.57864 -61.9649 14.6905 -59.756 15.5244 TIMING: 2088400 CPU: 6525.92, 0.00320161/step Wall: 6525.92, 0.00320161/step, 2.58939 hours remaining, 235.792969 MB of memory in use. ENERGY: 2088400 4025.8344 20693.6069 14410.0563 236.1760 -203617.5218 2953.3313 0.0000 0.0000 52002.0687 -109296.4483 298.8566 -161298.5170 -108935.4255 299.6512 -78.9831 -54.7077 762820.0250 0.0434 -0.0701 PRESSURE: 2088600 -47.2927 98.3059 40.0458 98.3071 -7.75526 79.5489 40.0458 79.549 -166.877 GPRESSURE: 2088600 48.007 82.4013 9.46864 105.328 -22.5261 48.0287 169.878 33.5701 -184.731 PRESSAVG: 2088600 -61.2652 75.1251 -11.9389 75.125 49.4856 -54.2495 -11.9389 -54.2495 -5.93645 GPRESSAVG: 2088600 -62.5005 73.2441 -12.0612 73.22 49.4869 -53.5009 -9.15257 -53.6934 -5.10458 TIMING: 2088600 CPU: 6526.55, 0.00314877/step Wall: 6526.55, 0.00314877/step, 2.54648 hours remaining, 235.996094 MB of memory in use. ENERGY: 2088600 4053.7719 20541.4059 14413.3782 252.0837 -203524.8663 2974.8507 0.0000 0.0000 52067.5607 -109221.8150 299.2330 -161289.3757 -108861.9733 299.6255 -73.9748 -53.0833 762850.3418 -5.9054 -6.0394 PRESSURE: 2088800 53.1729 -204.86 -30.9459 -204.86 322.697 67.3774 -30.9457 67.3777 57.8716 GPRESSURE: 2088800 90.1714 -91.4487 1.31824 -136.548 398.704 31.3435 -194.68 18.9101 16.0037 PRESSAVG: 2088800 -16.0658 -12.261 -15.8072 -12.261 21.6348 -0.182311 -15.8072 -0.18237 26.5727 GPRESSAVG: 2088800 -14.4368 -10.6223 -15.0008 -8.49148 20.2512 1.22204 -19.235 -2.26575 26.382 TIMING: 2088800 CPU: 6527.18, 0.00312997/step Wall: 6527.18, 0.00312997/step, 2.5311 hours remaining, 235.996094 MB of memory in use. ENERGY: 2088800 4017.7877 20666.6567 14428.7071 255.3309 -203198.7525 2764.9283 0.0000 0.0000 51914.6660 -109150.6758 298.3543 -161065.3418 -108792.9167 299.8608 144.5806 168.2932 761977.7942 10.7139 10.7321 PRESSURE: 2089000 396.797 239.478 61.7314 239.477 -139.331 -6.56858 61.7326 -6.56792 7.27866 GPRESSURE: 2089000 448.604 191.953 24.3379 159.83 50.656 57.6443 -18.0088 -12.9981 -146.225 PRESSAVG: 2089000 -43.2067 21.095 -11.6548 21.095 14.8013 14.2051 -11.6548 14.2052 3.98516 GPRESSAVG: 2089000 -44.123 23.1602 -11.6229 16.2604 16.6374 13.6095 -10.455 13.6552 2.83125 TIMING: 2089000 CPU: 6527.8, 0.00312633/step Wall: 6527.8, 0.00312633/step, 2.52798 hours remaining, 235.996094 MB of memory in use. ENERGY: 2089000 3925.3551 20578.2147 14417.5882 241.0451 -204065.6592 3225.4946 0.0000 0.0000 52171.4978 -109506.4637 299.8303 -161677.9615 -109142.7196 299.3757 88.2479 117.6782 761010.0969 -8.1401 -8.2181 PRESSURE: 2089200 72.6657 125.003 -142.104 125.004 -73.8562 171.637 -142.103 171.636 -192.822 GPRESSURE: 2089200 65.1541 -2.06133 -118.033 100.467 -95.9036 194.698 -8.68921 87.1369 -84.049 PRESSAVG: 2089200 24.3057 23.346 18.9733 23.346 17.4928 45.3112 18.9733 45.3113 -11.3714 GPRESSAVG: 2089200 23.8541 20.1989 18.0787 25.6013 16.4924 44.7569 18.8885 46.6529 -10.4787 TIMING: 2089200 CPU: 6528.42, 0.00311298/step Wall: 6528.42, 0.00311298/step, 2.51701 hours remaining, 235.996094 MB of memory in use. ENERGY: 2089200 3986.1911 20469.0010 14450.5190 249.0255 -203622.1958 2868.2909 0.0000 0.0000 52231.5101 -109367.6581 300.1752 -161599.1682 -108995.0065 298.9661 -64.6709 -38.2662 763267.6942 10.1424 9.9559 PRESSURE: 2089400 -193.93 119.067 37.2883 119.067 -59.9465 48.6258 37.288 48.6246 -248.494 GPRESSURE: 2089400 -33.9472 124.246 129.115 3.26212 -77.259 84.7367 -3.66059 -42.2035 -299.31 PRESSAVG: 2089400 34.1966 17.1277 -20.3406 17.1277 -10.1649 29.6147 -20.3407 29.6148 16.1738 GPRESSAVG: 2089400 35.3846 20.8616 -19.4 15.6766 -10.5502 29.3248 -21.9161 28.1848 15.3446 TIMING: 2089400 CPU: 6529.05, 0.0031514/step Wall: 6529.05, 0.0031514/step, 2.54791 hours remaining, 235.996094 MB of memory in use. ENERGY: 2089400 3993.0182 20474.2851 14425.1616 260.4566 -202976.8347 2562.3459 0.0000 0.0000 52075.0279 -109186.5393 299.2759 -161261.5672 -108826.6013 299.3137 -167.4570 -136.8388 762897.3598 13.4019 13.3930 PRESSURE: 2089600 264.894 -129.303 -97.1746 -129.303 189.011 27.2301 -97.1743 27.2295 -154.961 GPRESSURE: 2089600 304.03 -75.9183 -107.88 -113.97 163.906 -55.1909 -124.236 184.367 -84.3027 PRESSAVG: 2089600 -3.69014 -28.804 -65.4659 -28.804 30.7103 23.4662 -65.4659 23.4662 -9.22911 GPRESSAVG: 2089600 -5.96619 -30.4575 -66.7669 -27.0613 32.2874 22.0895 -63.4541 23.5143 -8.67952 TIMING: 2089600 CPU: 6529.68, 0.00315499/step Wall: 6529.68, 0.00315499/step, 2.55063 hours remaining, 235.996094 MB of memory in use. ENERGY: 2089600 3994.0803 20552.3873 14486.2543 242.9607 -203214.8528 2752.3703 0.0000 0.0000 52083.2233 -109103.5767 299.3230 -161186.8000 -108747.4542 299.6512 99.6478 127.8775 760491.4459 5.9303 5.8806 PRESSURE: 2089800 -311.416 -161.328 -147.249 -161.328 51.1541 -156.922 -147.248 -156.922 -376.906 GPRESSURE: 2089800 -172.426 -117.42 -232.657 -154.793 -27.3645 -106.564 -74.079 -151.074 -346.25 PRESSAVG: 2089800 27.5278 4.74631 -64.2071 4.74628 -16.365 37.6582 -64.207 37.6582 -0.904961 GPRESSAVG: 2089800 27.8001 4.36357 -63.4552 4.5045 -17.3502 40.1797 -63.8097 38.2993 0.168895 TIMING: 2089800 CPU: 6530.31, 0.00313924/step Wall: 6530.31, 0.00313924/step, 2.53773 hours remaining, 235.996094 MB of memory in use. ENERGY: 2089800 3935.5533 20563.7490 14474.5585 243.3603 -202876.7353 2286.5464 0.0000 0.0000 52267.2910 -109105.6769 300.3808 -161372.9679 -108728.2107 300.1269 -212.3892 -182.0133 761043.1707 3.4193 3.5396 PRESSURE: 2090000 80.2359 49.6331 97.368 49.6337 -23.0032 -43.3497 97.3678 -43.3499 -326.005 GPRESSURE: 2090000 69.0986 45.6903 172.589 9.52331 -20.8929 -4.07879 70.6544 -37.8275 -254.808 PRESSAVG: 2090000 -32.1217 17.7288 -20.7367 17.7287 12.0454 12.0818 -20.7367 12.0818 37.073 GPRESSAVG: 2090000 -31.5305 16.1353 -20.9425 17.5981 11.5653 11.3823 -20.8036 12.1878 36.9034 TIMING: 2090000 CPU: 6530.94, 0.00315042/step Wall: 6530.94, 0.00315042/step, 2.54659 hours remaining, 235.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2090000 4037.5766 20662.0093 14500.8044 239.8891 -202995.1988 2373.8738 0.0000 0.0000 52075.8230 -109105.2227 299.2805 -161181.0457 -108739.0234 299.8284 -89.5908 -68.8673 762124.3712 5.6655 5.6460 PRESSURE: 2090200 275.083 22.4611 179.128 22.4621 147.612 84.4746 179.129 84.4745 32.1979 GPRESSURE: 2090200 293.467 54.5075 196.818 -74.7251 167.878 88.3233 106.89 112.664 88.726 PRESSAVG: 2090200 -22.2665 -34.4331 6.25478 -34.433 5.76961 7.45247 6.25479 7.45249 -5.36115 GPRESSAVG: 2090200 -22.281 -34.7419 5.80952 -33.9843 7.2882 6.54311 7.14487 8.29366 -6.63856 TIMING: 2090200 CPU: 6531.57, 0.00315571/step Wall: 6531.57, 0.00315571/step, 2.55069 hours remaining, 235.996094 MB of memory in use. ENERGY: 2090200 4002.0750 20550.1883 14406.2140 232.7250 -203270.3072 2918.8344 0.0000 0.0000 52220.3003 -108939.9701 300.1108 -161160.2704 -108573.3649 299.8864 151.6308 183.3571 761766.7646 -7.2860 -7.2105 PRESSURE: 2090400 470.064 -319.619 19.0699 -319.619 152.409 129.868 19.0695 129.869 -20.4759 GPRESSURE: 2090400 502.287 -117.909 -66.1968 -193.735 138.99 243.108 248.095 108.035 52.1545 PRESSAVG: 2090400 32.9933 14.7271 -15.5957 14.7271 -27.7458 24.0665 -15.5957 24.0664 27.7098 GPRESSAVG: 2090400 32.4029 16.1021 -15.8436 15.8563 -27.2084 24.0574 -18.9333 25.1282 27.9758 TIMING: 2090400 CPU: 6532.21, 0.00315984/step Wall: 6532.21, 0.00315984/step, 2.55386 hours remaining, 235.996094 MB of memory in use. ENERGY: 2090400 4043.6420 20486.0660 14430.6850 243.8832 -202916.4789 2809.7284 0.0000 0.0000 52000.2832 -108902.1911 298.8463 -160902.4743 -108537.4790 300.1309 200.6657 231.1438 761304.3304 10.9858 11.0568 PRESSURE: 2090600 26.2252 19.4721 28.8835 19.4721 50.0807 48.4035 28.884 48.4024 -317.675 GPRESSURE: 2090600 100.646 49.8937 -9.8626 11.5115 100.424 66.9065 69.7474 59.0558 -348.684 PRESSAVG: 2090600 62.0897 5.45055 -61.6513 5.45059 -71.8344 22.4179 -61.6513 22.4179 0.47658 GPRESSAVG: 2090600 64.1771 5.29155 -61.6977 4.22234 -72.9825 23.5889 -59.8741 22.3529 -0.237937 TIMING: 2090600 CPU: 6532.83, 0.0031481/step Wall: 6532.83, 0.0031481/step, 2.54419 hours remaining, 235.996094 MB of memory in use. ENERGY: 2090600 3976.9187 20580.9559 14404.5798 236.4814 -203093.8848 2697.0679 0.0000 0.0000 52102.0850 -109095.7961 299.4314 -161197.8811 -108737.2312 299.7970 -80.4563 -49.2046 762083.2012 -3.0894 -3.0144 PRESSURE: 2090800 -89.5663 31.5439 -41.1959 31.5437 21.5456 -144.266 -41.1954 -144.265 -96.1777 GPRESSURE: 2090800 -42.5234 104.804 -8.44166 -126.264 84.9324 -119.857 -17.435 -284.487 -105.885 PRESSAVG: 2090800 10.4641 1.3503 -87.4116 1.35028 -10.98 -12.2032 -87.4116 -12.2032 2.75333 GPRESSAVG: 2090800 8.47079 3.04748 -88.3063 1.97788 -9.87738 -12.2054 -87.915 -15.1311 3.58693 TIMING: 2090800 CPU: 6533.47, 0.00315312/step Wall: 6533.47, 0.00315312/step, 2.54807 hours remaining, 235.996094 MB of memory in use. ENERGY: 2090800 4025.4051 20512.4433 14430.5683 258.8585 -202764.5123 2377.9546 0.0000 0.0000 52059.8276 -109099.4550 299.1885 -161159.2826 -108722.8130 300.1893 -54.7328 -21.1586 761437.2523 0.7458 0.7268 PRESSURE: 2091000 134.295 168.86 51.7507 168.861 -214.282 245.138 51.7503 245.137 227.395 GPRESSURE: 2091000 166.903 154.849 55.4903 109.161 -130.936 210.374 156.586 205.46 196.457 PRESSAVG: 2091000 40.8563 36.5218 -50.4634 36.5218 -25.7597 -7.98631 -50.4634 -7.98626 -4.33937 GPRESSAVG: 2091000 41.8405 33.4805 -49.7457 36.09 -26.1554 -8.72636 -49.8416 -8.89928 -5.22981 TIMING: 2091000 CPU: 6534.1, 0.00316156/step Wall: 6534.1, 0.00316156/step, 2.55471 hours remaining, 235.996094 MB of memory in use. ENERGY: 2091000 3956.6546 20484.0776 14406.7935 271.5954 -202736.9379 2459.4131 0.0000 0.0000 51958.1729 -109200.2308 298.6043 -161158.4037 -108835.3405 299.4854 49.1361 77.4747 762300.4851 3.5857 3.4851 PRESSURE: 2091200 -64.5201 -51.3878 -19.4457 -51.3878 -54.2519 -233.329 -19.4454 -233.329 134.859 GPRESSURE: 2091200 -68.3086 -30.4395 -86.9121 151.459 1.12061 -136.206 -4.44338 -49.7519 161.46 PRESSAVG: 2091200 20.8868 -62.7404 -62.2454 -62.7404 1.88933 53.6008 -62.2454 53.6008 -16.8309 GPRESSAVG: 2091200 21.5919 -61.1709 -63.1065 -62.1009 1.2094 54.8593 -62.8308 54.811 -16.4376 TIMING: 2091200 CPU: 6534.73, 0.00314384/step Wall: 6534.73, 0.00314384/step, 2.54023 hours remaining, 235.996094 MB of memory in use. ENERGY: 2091200 3890.5337 20527.1956 14347.0596 260.9727 -202720.4205 2495.4694 0.0000 0.0000 52190.6970 -109008.4924 299.9407 -161199.1894 -108634.0441 299.3410 5.3624 31.4239 763035.3948 1.9817 2.1212 PRESSURE: 2091400 0.635252 -132.848 48.0218 -132.848 102.612 -289.764 48.0197 -289.765 -233.482 GPRESSURE: 2091400 -18.8031 -120.418 47.7318 -123.843 252.769 -261.029 -4.29363 -304.461 -295.388 PRESSAVG: 2091400 18.9662 -16.389 -33.7873 -16.3891 -12.5298 -38.5639 -33.7873 -38.5639 31.14 GPRESSAVG: 2091400 16.9365 -17.778 -32.505 -16.6679 -11.0189 -40.0357 -34.0479 -38.7208 31.6565 TIMING: 2091400 CPU: 6535.35, 0.00314046/step Wall: 6535.35, 0.00314046/step, 2.53732 hours remaining, 235.996094 MB of memory in use. ENERGY: 2091400 3980.9376 20523.8668 14396.1070 248.8317 -203182.3164 2874.5594 0.0000 0.0000 52123.5202 -109034.4938 299.5546 -161158.0140 -108672.2681 299.4934 -43.4113 -20.4742 764273.6021 12.5255 12.5247 PRESSURE: 2091600 -214.851 180.979 236.269 180.98 -169.353 -33.2847 236.269 -33.2832 5.71904 GPRESSURE: 2091600 -107.79 178.162 164.319 224.365 -184.05 -122.733 134.43 1.52729 1.90549 PRESSAVG: 2091600 27.2464 -31.0364 26.5405 -31.0364 -11.1063 48.2865 26.5405 48.2865 -0.234643 GPRESSAVG: 2091600 28.8239 -29.283 26.7424 -31.9484 -12.1349 47.773 27.4878 48.7476 -1.28567 TIMING: 2091600 CPU: 6535.98, 0.00315091/step Wall: 6535.98, 0.00315091/step, 2.54558 hours remaining, 235.996094 MB of memory in use. ENERGY: 2091600 4003.0033 20451.2626 14372.4379 214.3557 -203088.9510 2763.3687 0.0000 0.0000 52289.9755 -108994.5473 300.5112 -161284.5228 -108623.6440 299.6578 -126.1619 -96.6449 764034.6300 5.3018 5.1345 PRESSURE: 2091800 -209.441 -226.937 267.542 -226.937 53.617 25.6327 267.542 25.6327 -120.348 GPRESSURE: 2091800 -181.516 -276.53 263.581 -89.8026 71.61 38.5874 279.491 159.969 -78.6951 PRESSAVG: 2091800 -35.7445 37.5599 23.7705 37.5599 35.3943 -5.48507 23.7704 -5.48505 -17.7199 GPRESSAVG: 2091800 -36.1159 33.7051 21.7967 41.262 35.6806 -3.07482 23.1629 -3.30846 -17.5218 TIMING: 2091800 CPU: 6536.61, 0.00313579/step Wall: 6536.61, 0.00313579/step, 2.5332 hours remaining, 235.996094 MB of memory in use. ENERGY: 2091800 3921.6584 20524.2433 14426.6181 233.0400 -202674.4020 2459.3713 0.0000 0.0000 52075.1939 -109034.2770 299.2769 -161109.4709 -108668.0248 299.5501 -92.0571 -62.8671 764175.9811 -6.0234 -5.9857 PRESSURE: 2092000 431.921 -1.76703 -310.673 -1.76726 482.084 -18.7135 -310.674 -18.7137 152.541 GPRESSURE: 2092000 464.094 31.4693 -321.345 -71.4468 454.159 36.3213 -267.428 -99.2334 249.924 PRESSAVG: 2092000 -5.86759 -81.2132 5.88414 -81.2132 -0.287139 -29.6924 5.88415 -29.6924 4.99333 GPRESSAVG: 2092000 -5.64432 -78.9666 6.86826 -83.105 -0.63764 -31.2979 8.73961 -31.1378 5.09178 TIMING: 2092000 CPU: 6537.23, 0.00311431/step Wall: 6537.23, 0.00311431/step, 2.51567 hours remaining, 235.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2092000 3992.8820 20440.4728 14435.8873 248.1993 -203390.1354 2951.3801 0.0000 0.0000 52240.6673 -109080.6466 300.2278 -161321.3140 -108716.2511 299.3914 355.5155 389.3924 762202.0375 -0.3871 -0.3967 PRESSURE: 2092200 -101.105 274.424 32.8655 274.424 -140.455 362.98 32.8653 362.979 148.865 GPRESSURE: 2092200 -209.897 209.367 -25.9529 192.675 -38.5828 334.197 83.8929 322.356 237.576 PRESSAVG: 2092200 -30.0948 -9.25621 61.0758 -9.25617 45.1889 39.7551 61.0758 39.7552 -12.3991 GPRESSAVG: 2092200 -30.6222 -8.05908 59.9042 -11.8222 44.9266 38.022 58.5919 39.3259 -11.7412 TIMING: 2092200 CPU: 6537.86, 0.00311985/step Wall: 6537.86, 0.00311985/step, 2.51997 hours remaining, 235.996094 MB of memory in use. ENERGY: 2092200 4017.0930 20353.6694 14353.6375 242.4277 -202486.7211 2353.5101 0.0000 0.0000 52193.1897 -108973.1937 299.9550 -161166.3834 -108606.3422 299.1061 -30.8982 -3.6345 761935.2040 0.8983 0.8544 LDB: ============= START OF LOAD BALANCING ============== 6550.34 LDB: ============== END OF LOAD BALANCING =============== 6550.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6550.34 LDB: ============= START OF LOAD BALANCING ============== 6550.65 LDB: Largest compute 6985 load 0.029672 is 15.2% of average load 0.195090 LDB: Average compute 0.004393 is 2.3% of average load 0.195090 LDB: TIME 6550.66 LOAD: AVG 0.19509 MAX 0.212843 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.309 MB LDB: TIME 6550.66 LOAD: AVG 0.19509 MAX 0.212843 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.309 MB LDB: TIME 6550.66 LOAD: AVG 0.19509 MAX 0.212843 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.309 MB LDB: ============== END OF LOAD BALANCING =============== 6550.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6550.66 PRESSURE: 2092400 -421.965 10.0563 -54.492 10.0557 -178.349 39.9206 -54.4921 39.9207 -147.667 GPRESSURE: 2092400 -253.516 70.2822 -4.96966 4.67095 -199.527 22.3422 41.6419 11.279 -212.296 PRESSAVG: 2092400 4.70322 -14.1668 61.8191 -14.1668 30.9304 20.4975 61.8191 20.4975 -4.84731 GPRESSAVG: 2092400 5.49224 -14.7817 65.0962 -12.9364 31.8131 23.0118 61.7613 19.1173 -7.26577 TIMING: 2092400 CPU: 6538.5, 0.00320124/step Wall: 6538.5, 0.00320124/step, 2.58554 hours remaining, 234.562500 MB of memory in use. ENERGY: 2092400 4021.5168 20408.9473 14352.4792 234.1955 -203054.2284 2790.9879 0.0000 0.0000 52266.0227 -108980.0791 300.3736 -161246.1018 -108621.7001 298.9383 -249.3272 -221.7793 762626.4149 10.2621 10.0132 PRESSURE: 2092600 88.9178 114.063 150.374 114.063 47.4836 -158.403 150.374 -158.403 333.926 GPRESSURE: 2092600 80.1669 43.6931 53.6519 211.105 85.6925 -138.697 96.4011 -59.0351 381.517 PRESSAVG: 2092600 -33.7349 19.7236 -18.3733 19.7236 43.5324 13.1841 -18.3732 13.184 16.2797 GPRESSAVG: 2092600 -34.1624 20.4682 -21.4278 21.3638 43.1099 11.7004 -18.5838 13.6603 16.9765 TIMING: 2092600 CPU: 6539.12, 0.00312538/step Wall: 6539.12, 0.00312538/step, 2.52409 hours remaining, 234.562500 MB of memory in use. ENERGY: 2092600 3922.9002 20511.4432 14375.9705 238.7645 -203215.3765 2902.3742 0.0000 0.0000 52317.7723 -108946.1517 300.6710 -161263.9240 -108585.2942 299.6370 156.7756 182.4588 760134.1410 8.6924 8.6413 PRESSURE: 2092800 54.8798 -6.60261 -74.3364 -6.6036 -102.571 -202.228 -74.3361 -202.229 192.396 GPRESSURE: 2092800 23.2486 -65.186 -58.891 135.692 -17.1777 -156.23 -50.3973 -55.826 228.461 PRESSAVG: 2092800 14.4312 27.5777 -8.73333 27.5777 -60.8662 -48.6945 -8.73333 -48.6945 -3.91216 GPRESSAVG: 2092800 14.3245 28.7608 -9.38868 26.5009 -61.1244 -50.1725 -6.29482 -47.0985 -3.67001 TIMING: 2092800 CPU: 6539.75, 0.00310865/step Wall: 6539.75, 0.00310865/step, 2.51041 hours remaining, 234.562500 MB of memory in use. ENERGY: 2092800 3960.6032 20482.4945 14343.8727 241.9347 -202648.0766 2682.4946 0.0000 0.0000 52015.8860 -108920.7909 298.9360 -160936.6769 -108561.7026 299.8591 48.2348 78.1774 761588.2199 -16.7824 -16.8233 PRESSURE: 2093000 -318.759 59.5845 6.13083 59.5859 -261.165 61.9335 6.13212 61.9337 -8.42431 GPRESSURE: 2093000 -232.857 122.259 50.2382 1.08637 -256.747 115.342 -40.5375 23.2787 -14.3143 PRESSAVG: 2093000 9.25332 35.6741 -43.6935 35.6741 37.1957 24.463 -43.6935 24.463 -29.1627 GPRESSAVG: 2093000 9.56637 32.3538 -43.1099 35.2433 36.713 27.24 -45.4872 23.2784 -28.4551 TIMING: 2093000 CPU: 6540.37, 0.00310509/step Wall: 6540.37, 0.00310509/step, 2.50736 hours remaining, 234.562500 MB of memory in use. ENERGY: 2093000 4082.9686 20520.2578 14411.1596 251.7588 -202980.3468 2607.9845 0.0000 0.0000 52084.7155 -109021.5020 299.3316 -161106.2174 -108679.4934 300.0093 -196.1160 -167.9728 764051.4872 5.7621 5.9414 PRESSURE: 2093200 -206.113 -132.627 137.212 -132.628 88.7757 129.295 137.212 129.296 96.8722 GPRESSURE: 2093200 -119.31 -198.537 91.5755 -111.176 124.983 120.342 11.363 111.782 49.1504 PRESSAVG: 2093200 -25.86 -11.978 -21.7522 -11.978 0.745032 37.3467 -21.7522 37.3466 7.87219 GPRESSAVG: 2093200 -24.6079 -9.57259 -20.9384 -10.3773 0.931002 35.8365 -22.5029 36.9829 6.24492 TIMING: 2093200 CPU: 6540.99, 0.00312752/step Wall: 6540.99, 0.00312753/step, 2.5253 hours remaining, 234.562500 MB of memory in use. ENERGY: 2093200 4095.5853 20613.5734 14360.2767 240.4407 -203276.8789 2895.4362 0.0000 0.0000 52062.8199 -109008.7468 299.2057 -161071.5666 -108651.4072 299.6863 -6.8217 18.2744 761010.6521 -5.7476 -5.8107 PRESSURE: 2093400 157.449 -25.7471 -82.6165 -25.7478 250.874 -27.3809 -82.6177 -27.3803 -25.0546 GPRESSURE: 2093400 127.629 49.0617 -124.996 22.4529 318.639 -5.24836 -144.808 46.7926 21.7046 PRESSAVG: 2093400 0.645163 -19.1974 -5.7274 -19.1975 29.9344 33.5681 -5.72741 33.568 12.3311 GPRESSAVG: 2093400 -1.15838 -19.5952 -5.3369 -19.0608 30.3004 33.731 -5.07158 35.0653 13.8773 TIMING: 2093400 CPU: 6541.62, 0.00314483/step Wall: 6541.62, 0.00314483/step, 2.5391 hours remaining, 234.562500 MB of memory in use. ENERGY: 2093400 3970.8627 20514.4386 14424.0997 267.6685 -203384.4687 2971.9592 0.0000 0.0000 52083.7224 -109151.7177 299.3259 -161235.4401 -108790.7680 299.7228 127.7563 155.9909 761425.5944 14.3035 14.3398 PRESSURE: 2093600 -310.828 -98.6548 38.8057 -98.6538 -229.347 157.221 38.8056 157.22 194.936 GPRESSURE: 2093600 -255.858 -86.3844 122.374 -10.9381 -237.723 136.148 -135.932 138.366 250.665 PRESSAVG: 2093600 31.4504 -22.2465 27.2681 -22.2465 -34.9913 21.3351 27.2681 21.3352 7.66545 GPRESSAVG: 2093600 30.7388 -21.1064 27.6824 -23.5114 -35.1973 22.216 25.8203 20.6496 8.2177 TIMING: 2093600 CPU: 6542.25, 0.00312023/step Wall: 6542.25, 0.00312023/step, 2.51907 hours remaining, 234.562500 MB of memory in use. ENERGY: 2093600 3979.8474 20501.4316 14399.7401 231.2978 -203248.2816 2748.5090 0.0000 0.0000 52059.8933 -109327.5625 299.1889 -161387.4557 -108961.8229 300.1852 -115.0799 -80.9723 760462.6780 1.3748 1.2531 PRESSURE: 2093800 -226.953 -27.0171 58.0657 -27.0173 -50.7337 -112.451 58.0648 -112.451 74.0504 GPRESSURE: 2093800 -181.269 -43.9138 49.7343 64.4501 34.6054 -139.086 41.534 -53.3892 32.9649 PRESSAVG: 2093800 -14.4674 -70.1905 25.3718 -70.1905 33.2562 8.686 25.3717 8.68608 16.4447 GPRESSAVG: 2093800 -14.0041 -70.9019 24.5285 -71.8844 34.5062 7.78186 26.7682 8.08126 14.7267 TIMING: 2093800 CPU: 6542.87, 0.00314098/step Wall: 6542.87, 0.00314098/step, 2.53564 hours remaining, 234.562500 MB of memory in use. ENERGY: 2093800 4031.1859 20423.5262 14324.9380 243.2694 -203687.0419 2728.1347 0.0000 0.0000 52429.1793 -109506.8085 301.3112 -161935.9877 -109136.2242 299.5214 -67.8789 -37.8996 760232.8591 11.7445 11.7429 PRESSURE: 2094000 -196.698 -162.283 162.09 -162.284 -223.7 -41.0243 162.09 -41.0247 -137.887 GPRESSURE: 2094000 -176.052 -114.634 73.1027 -264.646 -185.862 -49.7158 139.072 -6.45175 -107.54 PRESSAVG: 2094000 -10.7746 -5.18831 35.8245 -5.18827 8.16291 32.1276 35.8245 32.1275 6.16257 GPRESSAVG: 2094000 -11.6385 -4.38706 34.8585 -3.37665 7.95428 31.4488 37.436 34.692 6.47284 TIMING: 2094000 CPU: 6543.5, 0.00311511/step Wall: 6543.5, 0.00311511/step, 2.51459 hours remaining, 234.562500 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: 2094000 4022.4375 20642.9956 14396.0006 248.6338 -203640.6595 2795.5960 0.0000 0.0000 52049.8554 -109485.1405 299.1312 -161534.9959 -109128.1070 299.2514 -186.0949 -156.4848 761113.6785 1.1836 0.9295 PRESSURE: 2094200 -143.053 96.4869 84.463 96.4867 -109.862 96.3007 84.4628 96.2998 27.9255 GPRESSURE: 2094200 -64.4697 158.089 138.952 97.5585 -33.6867 174.38 -54.3204 24.9654 -27.954 PRESSAVG: 2094200 8.39811 -31.447 -31.906 -31.447 20.5553 -21.0768 -31.9061 -21.0769 1.55163 GPRESSAVG: 2094200 10.0024 -29.8526 -29.9771 -31.6672 19.2179 -18.9817 -35.5512 -22.7492 1.62717 TIMING: 2094200 CPU: 6544.12, 0.0031328/step Wall: 6544.12, 0.0031328/step, 2.52869 hours remaining, 234.562500 MB of memory in use. ENERGY: 2094200 3979.6461 20590.3734 14485.0152 254.0504 -203230.9037 2428.9268 0.0000 0.0000 51793.7830 -109699.1088 297.6596 -161492.8918 -109343.2226 299.0466 -74.9967 -42.0368 761269.5284 10.1683 10.2825 PRESSURE: 2094400 -130.217 142.158 123.522 142.158 -5.33651 118.732 123.523 118.732 -324.645 GPRESSURE: 2094400 -127.616 38.0252 164.505 171.675 14.7762 200.978 147.789 50.3391 -264.331 PRESSAVG: 2094400 -58.0389 -41.8785 7.79715 -41.8785 -0.830273 37.4902 7.79716 37.4903 -27.0574 GPRESSAVG: 2094400 -58.1146 -42.6104 7.83859 -39.9842 -0.719661 35.1057 10.0533 37.452 -27.5103 TIMING: 2094400 CPU: 6544.75, 0.00312272/step Wall: 6544.75, 0.00312272/step, 2.52038 hours remaining, 234.562500 MB of memory in use. ENERGY: 2094400 4056.1503 20542.2038 14468.6792 228.0987 -203239.2410 2622.4113 0.0000 0.0000 51736.8832 -109584.8146 297.3326 -161321.6978 -109224.8445 298.1517 -153.3994 -125.7238 761502.4452 -28.6422 -28.7815 PRESSURE: 2094600 -503.21 153.842 -20.835 153.843 379.488 -32.1906 -20.8341 -32.1921 367.217 GPRESSURE: 2094600 -372.597 194.23 -97.2186 141.792 358.536 3.18819 -0.659221 91.6698 351.85 PRESSAVG: 2094600 -57.9011 5.13073 -3.04911 5.13074 56.1757 -37.8845 -3.0491 -37.8845 4.79742 GPRESSAVG: 2094600 -58.7627 3.83178 -3.19553 1.98328 56.2301 -35.9038 -1.08625 -36.9384 5.81251 TIMING: 2094600 CPU: 6545.38, 0.0031589/step Wall: 6545.38, 0.0031589/step, 2.54941 hours remaining, 234.562500 MB of memory in use. ENERGY: 2094600 3954.4222 20570.9061 14441.2911 249.0144 -203397.0019 2680.0851 0.0000 0.0000 51942.4834 -109558.7997 298.5142 -161501.2831 -109188.6688 298.7768 81.1648 112.5963 762351.6102 1.0240 1.0933 PRESSURE: 2094800 -216.86 165.215 11.6892 165.215 -69.952 -48.3391 11.6892 -48.3389 -92.1501 GPRESSURE: 2094800 -277.268 89.9623 -53.536 109.184 10.5525 -112.049 58.7501 -32.8057 -41.1972 PRESSAVG: 2094800 -31.3034 15.9429 43.1804 15.9429 -1.43696 -27.8016 43.1804 -27.8017 -27.5554 GPRESSAVG: 2094800 -30.0342 15.9049 42.2355 16.9161 -0.520689 -28.888 41.4575 -27.4015 -29.5778 TIMING: 2094800 CPU: 6546.01, 0.00313506/step Wall: 6546.01, 0.00313506/step, 2.53 hours remaining, 234.562500 MB of memory in use. ENERGY: 2094800 4017.1049 20342.0956 14397.1488 244.3794 -203275.7258 2432.9464 0.0000 0.0000 52270.3357 -109571.7151 300.3983 -161842.0507 -109197.6375 298.5138 -126.3207 -102.6375 762520.2229 -20.0986 -20.0442 PRESSURE: 2095000 21.4469 87.7573 -142.47 87.7571 104.608 19.4934 -142.47 19.494 -330.463 GPRESSURE: 2095000 21.635 -5.97018 -144.134 72.5861 132.443 -73.0511 -179.653 -12.0115 -273.131 PRESSAVG: 2095000 30.9643 -46.2466 8.98895 -46.2466 -16.9767 -29.3184 8.98896 -29.3185 -6.75848 GPRESSAVG: 2095000 30.1169 -45.382 8.33684 -46.3228 -17.8377 -27.3129 9.71134 -30.6046 -5.23587 TIMING: 2095000 CPU: 6546.64, 0.00314844/step Wall: 6546.64, 0.00314844/step, 2.54061 hours remaining, 234.562500 MB of memory in use. ENERGY: 2095000 4065.3368 20458.7678 14381.3870 244.7366 -203504.7075 2724.2231 0.0000 0.0000 51955.3142 -109674.9420 298.5879 -161630.2562 -109304.7939 298.8121 -68.1361 -39.6845 761076.8982 2.4097 2.3478 PRESSURE: 2095200 -47.0009 35.84 -36.8265 35.84 217.052 23.125 -36.8271 23.1241 -160.139 GPRESSURE: 2095200 -76.7394 28.2091 9.38627 114.04 301.498 71.2388 -17.6039 -5.90755 -123.747 PRESSAVG: 2095200 41.5048 -51.2938 -22.9972 -51.2938 -27.1871 -12.0741 -22.9973 -12.074 19.7057 GPRESSAVG: 2095200 41.4877 -53.8315 -22.25 -49.9657 -26.9295 -13.4086 -24.4937 -12.1056 19.2666 TIMING: 2095200 CPU: 6547.26, 0.0031144/step Wall: 6547.26, 0.0031144/step, 2.51297 hours remaining, 234.562500 MB of memory in use. ENERGY: 2095200 3991.8548 20490.6049 14389.8440 229.0641 -203688.6957 2933.2188 0.0000 0.0000 51903.4481 -109750.6610 298.2898 -161654.1091 -109386.9735 298.3181 3.3040 33.6706 762948.8534 11.3412 11.2749 PRESSURE: 2095400 -289.961 -130.614 -26.3846 -130.615 -115.732 -10.2634 -26.3846 -10.2643 -227.254 GPRESSURE: 2095400 -234.767 62.1527 -118.647 -7.96472 -139.696 37.9253 33.052 89.562 -174.771 PRESSAVG: 2095400 27.7251 -76.2366 26.5469 -76.2365 -10.9605 -12.2123 26.547 -12.2123 -0.519991 GPRESSAVG: 2095400 27.9596 -73.0383 26.6235 -78.6192 -11.2691 -10.5162 27.5464 -14.119 -0.334743 TIMING: 2095400 CPU: 6547.88, 0.00311547/step Wall: 6547.88, 0.00311547/step, 2.51366 hours remaining, 234.562500 MB of memory in use. ENERGY: 2095400 3977.3257 20545.2640 14419.7648 256.9569 -203363.5031 2615.7271 0.0000 0.0000 52195.2667 -109353.1980 299.9669 -161548.4647 -108997.9617 298.8189 -210.9823 -183.0779 763695.9642 5.4149 5.4519 PRESSURE: 2095600 -155.648 -9.41524 50.8773 -9.41549 293.668 -36.7758 50.877 -36.7764 32.9802 GPRESSURE: 2095600 -147.017 -46.8082 30.7243 24.2528 356.488 -81.8054 87.0743 77.807 44.0345 PRESSAVG: 2095600 -34.9124 -40.4389 16.715 -40.439 42.3093 -13.2136 16.7149 -13.2136 -29.2727 GPRESSAVG: 2095600 -35.2764 -40.3759 16.801 -36.5626 43.7914 -11.9249 16.3055 -12.0883 -30.2342 TIMING: 2095600 CPU: 6548.51, 0.00314534/step Wall: 6548.51, 0.00314534/step, 2.53759 hours remaining, 234.562500 MB of memory in use. ENERGY: 2095600 3983.9061 20651.4604 14340.5754 242.1528 -203790.8533 3127.1173 0.0000 0.0000 52243.4980 -109202.1433 300.2441 -161445.6413 -108845.3021 299.3888 57.0001 84.5018 763303.7014 -7.2920 -7.2398 PRESSURE: 2095800 -138.827 61.7981 96.7576 61.797 -154.18 -120.484 96.7589 -120.484 -128.234 GPRESSURE: 2095800 -100.271 -51.3252 95.0233 -21.1157 -97.4447 -232.958 74.0053 -122.377 -134.189 PRESSAVG: 2095800 9.20426 7.21924 -17.569 7.2192 36.4327 -26.7305 -17.569 -26.7305 12.3518 GPRESSAVG: 2095800 9.07778 5.17104 -16.42 5.01718 35.3615 -28.9079 -17.3183 -25.5456 13.6037 TIMING: 2095800 CPU: 6549.14, 0.00312874/step Wall: 6549.14, 0.00312874/step, 2.52403 hours remaining, 234.562500 MB of memory in use. ENERGY: 2095800 3958.1075 20528.4070 14405.4095 249.4086 -203551.3778 2748.5519 0.0000 0.0000 52266.9692 -109394.5241 300.3790 -161661.4933 -109032.4378 298.8721 -140.4138 -110.6349 761516.3697 19.3296 19.3477 PRESSURE: 2096000 -292.266 167.958 -228.837 167.959 141.667 198.221 -228.837 198.22 -100.759 GPRESSURE: 2096000 -255.424 217.449 -212.428 162.105 118.068 251.978 -208.925 158.594 -27.2164 PRESSAVG: 2096000 -36.3357 17.0567 -63.6276 17.0567 53.4506 53.304 -63.6276 53.3041 17.3341 GPRESSAVG: 2096000 -37.3042 17.2751 -63.5283 18.5503 54.7355 53.3243 -65.3982 51.2898 17.0791 TIMING: 2096000 CPU: 6549.76, 0.00312257/step Wall: 6549.76, 0.00312257/step, 2.51887 hours remaining, 234.562500 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: 2096000 4026.5870 20496.3999 14412.0936 224.2438 -203542.4722 2910.5401 0.0000 0.0000 51843.8186 -109628.7891 297.9471 -161472.6077 -109276.3028 299.2067 -83.7857 -54.8574 761550.4407 11.4830 11.5035 PRESSURE: 2096200 -150.627 -258.28 202.604 -258.281 -44.4003 37.1934 202.604 37.1935 142.599 GPRESSURE: 2096200 -154.948 -213.946 191.239 -142.888 39.6842 13.9265 193.44 13.0249 168.889 PRESSAVG: 2096200 -5.54584 -46.2166 35.5666 -46.2167 51.2377 -5.65788 35.5666 -5.65777 -14.6904 GPRESSAVG: 2096200 -4.83979 -44.5096 35.7729 -48.2733 51.3878 -5.94287 37.0224 -3.41099 -15.7198 TIMING: 2096200 CPU: 6550.39, 0.00313001/step Wall: 6550.39, 0.00313001/step, 2.5247 hours remaining, 234.562500 MB of memory in use. ENERGY: 2096200 4025.8940 20467.3201 14454.5274 232.2409 -202901.0384 2691.4987 0.0000 0.0000 51883.6124 -109145.9449 298.1758 -161029.5573 -108794.9711 299.2633 -17.4759 17.8750 764399.8222 10.3338 10.2761 LDB: ============= START OF LOAD BALANCING ============== 6562.86 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6562.86 LDB: =============== DONE WITH MIGRATION ================ 6562.86 LDB: ============= START OF LOAD BALANCING ============== 6563.18 LDB: Largest compute 7058 load 0.030320 is 15.5% of average load 0.195105 LDB: Average compute 0.004387 is 2.2% of average load 0.195105 LDB: TIME 6563.18 LOAD: AVG 0.195105 MAX 0.219148 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.82 MB LDB: TIME 6563.18 LOAD: AVG 0.195105 MAX 0.219148 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.82 MB LDB: TIME 6563.18 LOAD: AVG 0.195105 MAX 0.213091 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.82 MB LDB: ============== END OF LOAD BALANCING =============== 6563.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6563.19 PRESSURE: 2096400 -36.934 236.358 -46.879 236.359 58.168 -21.9235 -46.8787 -21.9234 245.39 GPRESSURE: 2096400 66.8017 218.137 -35.3319 65.2498 62.3214 -9.23804 -107.406 -58.5347 222.206 PRESSAVG: 2096400 25.3833 -48.5814 6.97497 -48.5814 2.7519 21.8876 6.97499 21.8877 7.29582 GPRESSAVG: 2096400 26.0523 -49.7787 6.98377 -46.7504 2.72417 19.8722 6.98472 21.2569 7.50407 TIMING: 2096400 CPU: 6551.02, 0.00316234/step Wall: 6551.02, 0.00316234/step, 2.5506 hours remaining, 234.621094 MB of memory in use. ENERGY: 2096400 3974.1341 20612.0116 14446.8130 237.0767 -203873.0939 3133.1937 0.0000 0.0000 52177.1119 -109292.7529 299.8626 -161469.8648 -108923.0401 299.5892 88.8747 117.1096 762555.0090 11.8104 12.0935 PRESSURE: 2096600 -138.986 81.6777 105.736 81.6777 -134.386 93.3677 105.737 93.369 75.8566 GPRESSURE: 2096600 -161.022 170.797 184.607 147.437 -111.157 118.116 -29.6644 54.9196 143.692 PRESSAVG: 2096600 -50.2907 11.7223 -38.1999 11.7223 29.0101 -12.3245 -38.1999 -12.3244 7.8296 GPRESSAVG: 2096600 -50.6317 13.1304 -38.8006 11.4895 29.0338 -10.3813 -38.6973 -13.2941 8.47293 TIMING: 2096600 CPU: 6551.65, 0.00315219/step Wall: 6551.65, 0.00315219/step, 2.54224 hours remaining, 234.621094 MB of memory in use. ENERGY: 2096600 4011.4933 20625.1673 14408.2362 234.6277 -203567.4497 2714.5230 0.0000 0.0000 52437.5576 -109135.8446 301.3594 -161573.4022 -108769.4923 299.8576 -65.8385 -42.8289 764580.3766 -4.4837 -4.3750 PRESSURE: 2096800 -306.959 253.806 -93.3123 253.806 -176.478 -246.645 -93.3126 -246.645 -500.173 GPRESSURE: 2096800 -214.99 251.79 -98.1785 158.056 -226.905 -177.443 -202.957 -199.723 -461.535 PRESSAVG: 2096800 23.4048 -6.45718 82.7658 -6.45723 41.1469 -41.7228 82.7659 -41.7229 9.00067 GPRESSAVG: 2096800 22.5167 -6.52499 80.7889 -9.45432 41.7524 -41.5651 82.1301 -41.8147 9.05702 TIMING: 2096800 CPU: 6552.27, 0.00310989/step Wall: 6552.27, 0.00310989/step, 2.50796 hours remaining, 234.621094 MB of memory in use. ENERGY: 2096800 4027.3065 20540.0132 14405.3252 234.5134 -203182.1383 2878.7801 0.0000 0.0000 52064.8363 -109031.3636 299.2173 -161096.1999 -108660.9343 300.2386 -327.8698 -301.1432 765483.7129 24.5175 24.4421 PRESSURE: 2097000 -37.0329 -56.9735 -35.0789 -56.9736 -297.146 31.7959 -35.0797 31.7966 -35.9012 GPRESSURE: 2097000 -76.9317 -102.918 -65.7387 -106.897 -236.975 24.199 96.5306 35.4447 34.8699 PRESSAVG: 2097000 13.4898 5.79898 18.845 5.79893 -10.7969 -24.0625 18.845 -24.0625 10.4516 GPRESSAVG: 2097000 13.0263 4.7613 20.4026 9.0635 -10.9368 -24.5443 20.3845 -23.9987 11.1339 TIMING: 2097000 CPU: 6552.89, 0.00310904/step Wall: 6552.89, 0.00310903/step, 2.50709 hours remaining, 234.621094 MB of memory in use. ENERGY: 2097000 4030.3722 20699.7913 14461.3253 255.7521 -203366.6806 2810.6669 0.0000 0.0000 52331.0197 -108777.7532 300.7471 -161108.7728 -108418.7862 300.3017 -123.3600 -93.0123 764967.4104 4.3815 4.4078 PRESSURE: 2097200 -241.442 -88.7666 277.681 -88.7666 222.049 28.0437 277.681 28.0453 -19.9847 GPRESSURE: 2097200 -97.4418 39.7852 297.07 -94.514 240.837 -64.1613 210.955 115.752 -116.569 PRESSAVG: 2097200 -51.6153 -57.3821 22.7082 -57.3821 31.1194 -12.7594 22.7081 -12.7595 20.4274 GPRESSAVG: 2097200 -51.6844 -57.065 22.8062 -60.4682 31.6857 -12.6766 22.4494 -13.4968 19.9838 TIMING: 2097200 CPU: 6553.52, 0.00313376/step Wall: 6553.52, 0.00313377/step, 2.52686 hours remaining, 234.621094 MB of memory in use. ENERGY: 2097200 3993.5937 20530.2944 14384.3575 255.8496 -203261.0221 2942.4215 0.0000 0.0000 52389.5386 -108764.9667 301.0834 -161154.5053 -108391.9184 300.8371 -13.1261 8.9421 766024.1772 -0.0228 -0.0050 PRESSURE: 2097400 162.191 86.6638 -24.2126 86.6621 47.4246 -65.193 -24.2124 -65.1929 -210.994 GPRESSURE: 2097400 177.976 48.6618 67.663 83.5888 33.73 12.2682 -86.6726 -29.4187 -128.642 PRESSAVG: 2097400 -29.0917 -5.19484 55.9336 -5.19478 59.968 59.0819 55.9336 59.0819 1.88768 GPRESSAVG: 2097400 -27.9992 -5.35645 54.8085 -2.67971 59.6142 59.1278 54.6027 59.8919 1.40068 TIMING: 2097400 CPU: 6554.15, 0.00313556/step Wall: 6554.15, 0.00313556/step, 2.52813 hours remaining, 234.621094 MB of memory in use. ENERGY: 2097400 4032.5605 20812.3414 14467.9427 230.4069 -203366.5665 2657.0899 0.0000 0.0000 52234.4241 -108931.8009 300.1920 -161166.2250 -108581.0777 300.5855 -0.4594 27.6879 762826.6351 10.9213 11.0052 PRESSURE: 2097600 -202.477 116.734 -0.764269 116.734 -311.921 -199.095 -0.764511 -199.095 -304.345 GPRESSURE: 2097600 -165.62 -2.49248 14.1063 -26.8077 -307.293 -140.302 25.5558 -87.0049 -255.058 PRESSAVG: 2097600 -59.1285 25.1064 22.9232 25.1064 46.4196 39.9604 22.9231 39.9604 11.4463 GPRESSAVG: 2097600 -59.6369 25.1405 24.1734 24.7965 44.965 39.7745 21.3862 39.0136 12.8559 TIMING: 2097600 CPU: 6554.77, 0.00311389/step Wall: 6554.77, 0.00311389/step, 2.51049 hours remaining, 234.621094 MB of memory in use. ENERGY: 2097600 4004.3066 20674.5606 14442.1040 245.2670 -202999.9186 2762.8009 0.0000 0.0000 51976.6556 -108894.2239 298.7106 -160870.8795 -108536.6259 299.9944 -272.9143 -242.6570 765626.0147 -0.4209 -0.6053 PRESSURE: 2097800 -131.191 -160.773 110.778 -160.773 -199.333 -124.108 110.778 -124.108 -75.6426 GPRESSURE: 2097800 -159.093 -75.4171 124.73 -82.0931 -22.3115 -131.168 -36.8878 -156.914 -147.078 PRESSAVG: 2097800 -19.4461 -1.23415 28.1694 -1.23414 35.6255 18.7622 28.1694 18.7622 -8.09537 GPRESSAVG: 2097800 -19.5077 -0.332007 27.0566 -0.946236 37.3646 19.0299 29.4711 19.0143 -9.44125 TIMING: 2097800 CPU: 6555.4, 0.00312103/step Wall: 6555.4, 0.00312103/step, 2.51607 hours remaining, 234.621094 MB of memory in use. ENERGY: 2097800 4023.5277 20595.4158 14426.5510 248.1719 -203222.6186 2790.1381 0.0000 0.0000 52313.4230 -108825.3912 300.6460 -161138.8142 -108466.9121 300.2209 -135.3887 -109.4939 763792.5175 2.6947 2.8052 PRESSURE: 2098000 7.53904 47.778 -8.1766 47.778 -59.8113 -52.4012 -8.17787 -52.4016 166.565 GPRESSURE: 2098000 19.8406 86.7201 -24.8572 21.5099 -15.5046 -143.912 -49.007 -21.2592 201.924 PRESSAVG: 2098000 -34.592 -29.7101 1.70966 -29.7101 46.0902 -8.27527 1.70965 -8.27522 -1.81397 GPRESSAVG: 2098000 -33.9295 -30.027 2.20766 -30.4497 45.4093 -8.75718 2.32583 -6.72668 -1.7437 TIMING: 2098000 CPU: 6556.02, 0.00312342/step Wall: 6556.02, 0.00312342/step, 2.51782 hours remaining, 234.621094 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: 2098000 4017.5445 20549.7839 14490.9823 236.4320 -203009.9640 2844.1899 0.0000 0.0000 52172.1944 -108698.8369 299.8343 -160871.0313 -108328.0697 300.1942 38.0975 68.7533 764124.6763 3.2281 3.2454 PRESSURE: 2098200 -284.039 -298.152 65.2316 -298.152 -321.333 210.606 65.2322 210.606 -146.986 GPRESSURE: 2098200 -289.936 -236.04 84.4064 -284.174 -259.606 99.2417 160.648 165.171 -109.738 PRESSAVG: 2098200 -16.4767 -23.4254 -55.5843 -23.4254 2.89395 -27.6943 -55.5842 -27.6942 -10.7891 GPRESSAVG: 2098200 -16.6319 -25.6876 -57.3058 -22.6085 3.21324 -26.7887 -53.2823 -29.8225 -10.6759 TIMING: 2098200 CPU: 6556.64, 0.00310206/step Wall: 6556.64, 0.00310206/step, 2.50043 hours remaining, 234.621094 MB of memory in use. ENERGY: 2098200 4095.9664 20453.7548 14468.8988 249.6680 -203298.7222 2705.2496 0.0000 0.0000 52368.2946 -108956.8899 300.9613 -161325.1845 -108587.8556 300.5463 -250.7861 -219.7602 763577.7628 -8.1240 -8.0315 PRESSURE: 2098400 261.749 -97.279 112.372 -97.2775 65.1186 14.3074 112.372 14.3068 569.27 GPRESSURE: 2098400 229.945 -58.4252 125.67 -81.2541 178.271 -62.9275 -85.0694 -23.021 575.303 PRESSAVG: 2098400 -35.1742 29.4056 -5.79087 29.4056 17.9437 -24.3907 -5.79088 -24.3907 13.8393 GPRESSAVG: 2098400 -36.5214 30.913 -4.77962 30.5156 17.7249 -26.446 -7.56501 -23.0534 14.53 TIMING: 2098400 CPU: 6557.26, 0.00311241/step Wall: 6557.26, 0.00311241/step, 2.5086 hours remaining, 234.621094 MB of memory in use. ENERGY: 2098400 4048.3546 20582.0285 14422.0713 272.8044 -203432.7593 2853.8513 0.0000 0.0000 52303.9051 -108949.7442 300.5913 -161253.6493 -108589.5436 299.7785 298.7125 327.8398 761227.3700 -1.1304 -1.4221 PRESSURE: 2098600 183.013 -179.691 -88.6252 -179.691 400.713 -98.1636 -88.625 -98.1633 178.223 GPRESSURE: 2098600 189.246 -241.921 -36.2804 -69.4929 385.295 7.06867 -69.1824 -35.6036 263.759 PRESSAVG: 2098600 58.8612 -58.9288 -30.5042 -58.9289 -58.3406 19.5457 -30.5042 19.5458 10.138 GPRESSAVG: 2098600 58.933 -60.3932 -30.2637 -59.3692 -57.5056 21.7098 -32.8945 19.7416 9.56673 TIMING: 2098600 CPU: 6557.89, 0.00312032/step Wall: 6557.89, 0.00312032/step, 2.5148 hours remaining, 234.621094 MB of memory in use. ENERGY: 2098600 3910.1506 20565.2286 14486.0800 229.8681 -203913.6277 2963.0540 0.0000 0.0000 52582.4510 -109176.7954 302.1921 -161759.2464 -108808.7858 300.0847 253.9832 279.4331 760824.4325 3.5529 3.6647 PRESSURE: 2098800 42.4682 -207.763 167.302 -207.762 -90.2631 -71.6146 167.302 -71.6138 140.718 GPRESSURE: 2098800 79.6885 -252.296 233.946 -70.0693 -28.1918 -17.1984 93.8442 -69.7478 138.692 PRESSAVG: 2098800 -46.3404 -112.958 26.8094 -112.958 63.2912 -29.0992 26.8095 -29.0992 -9.87563 GPRESSAVG: 2098800 -45.3873 -112.609 26.5141 -113.044 62.7864 -28.6399 29.0428 -30.3218 -10.2694 TIMING: 2098800 CPU: 6558.52, 0.00315019/step Wall: 6558.52, 0.00315019/step, 2.5387 hours remaining, 234.621094 MB of memory in use. ENERGY: 2098800 4034.8961 20547.2838 14418.0883 232.9913 -203307.9210 2819.1691 0.0000 0.0000 52114.7449 -109140.7474 299.5042 -161255.4923 -108789.2381 299.5554 30.9743 63.3962 763711.0717 2.3584 2.3766 PRESSURE: 2099000 210.782 34.5893 134.964 34.5885 55.1334 -69.0667 134.964 -69.0662 64.4119 GPRESSURE: 2099000 278.794 6.57064 113.38 -29.3922 39.5453 -1.78364 78.8135 -99.0265 87.3092 PRESSAVG: 2099000 43.3263 -74.6524 41.9165 -74.6524 -41.9465 -21.348 41.9165 -21.3481 17.5087 GPRESSAVG: 2099000 43.9186 -73.7261 41.2925 -73.6887 -42.7746 -21.7481 42.2476 -22.2696 18.7734 TIMING: 2099000 CPU: 6559.15, 0.00315549/step Wall: 6559.15, 0.00315549/step, 2.5428 hours remaining, 234.621094 MB of memory in use. ENERGY: 2099000 4079.9652 20374.0180 14393.5287 254.9018 -203239.3939 2893.7648 0.0000 0.0000 52119.0020 -109124.2133 299.5286 -161243.2154 -108756.7492 299.8264 110.1092 135.2161 763410.8752 6.2962 6.6391 PRESSURE: 2099200 89.5101 -176.198 -73.2642 -176.198 144.097 211.59 -73.2636 211.59 468.603 GPRESSURE: 2099200 90.3745 -164.435 -9.72144 -107.632 233.333 138.604 -18.8572 81.4522 464.589 PRESSAVG: 2099200 -1.90582 -58.2944 -2.88381 -58.2944 -16.1271 -18.7629 -2.88382 -18.7629 11.3221 GPRESSAVG: 2099200 -2.49891 -58.096 -2.40081 -59.707 -13.6075 -19.4688 -2.82683 -16.58 10.2374 TIMING: 2099200 CPU: 6559.77, 0.00313248/step Wall: 6559.77, 0.00313248/step, 2.52408 hours remaining, 234.621094 MB of memory in use. ENERGY: 2099200 3900.1236 20378.9282 14485.5236 255.3692 -203208.2084 2885.1456 0.0000 0.0000 52055.7330 -109247.3851 299.1650 -161303.1182 -108888.0562 298.5994 234.0702 262.7657 760836.2865 -2.2369 -1.9564 PRESSURE: 2099400 31.2916 -61.0536 35.9582 -61.0532 416.129 -7.66921 35.9569 -7.66866 264.342 GPRESSURE: 2099400 50.8686 -45.617 73.9942 23.1373 447.698 53.7622 153.275 14.6947 302.036 PRESSAVG: 2099400 -1.58129 -40.0198 25.6089 -40.0199 -7.34491 -5.15286 25.609 -5.15288 6.24245 GPRESSAVG: 2099400 -2.50533 -39.9229 26.0421 -40.1741 -7.91657 -5.76835 27.303 -8.1759 8.14692 TIMING: 2099400 CPU: 6560.4, 0.00312904/step Wall: 6560.4, 0.00312903/step, 2.52113 hours remaining, 234.621094 MB of memory in use. ENERGY: 2099400 3963.2823 20534.8160 14395.0227 253.4941 -203554.4750 2791.6605 0.0000 0.0000 52260.0393 -109356.1601 300.3392 -161616.1994 -108988.9617 298.7909 237.2541 266.8675 760523.6731 -0.8946 -0.7583 PRESSURE: 2099600 -171.555 -197.506 1.3233 -197.505 26.6026 3.64322 1.32357 3.64344 -10.8742 GPRESSURE: 2099600 44.5708 -112.706 -9.62853 -260.78 -138.658 5.11938 59.3047 -21.2106 20.8522 PRESSAVG: 2099600 -12.1356 -43.6178 36.2534 -43.6178 10.0167 4.45905 36.2534 4.45906 -28.3988 GPRESSAVG: 2099600 -10.3793 -43.4731 35.352 -44.0752 8.20957 5.78259 32.0843 4.74883 -28.7486 TIMING: 2099600 CPU: 6561.02, 0.00310395/step Wall: 6561.02, 0.00310396/step, 2.50075 hours remaining, 234.621094 MB of memory in use. ENERGY: 2099600 3982.1258 20588.2236 14456.7554 246.8920 -203284.2366 2478.8636 0.0000 0.0000 52224.9863 -109306.3898 300.1377 -161531.3762 -108938.2410 299.3777 -51.9421 -24.4115 761100.1343 -10.1725 -10.3061 PRESSURE: 2099800 -3.78004 -10.9535 -85.6614 -10.9533 307.275 -121.605 -85.6614 -121.604 15.0037 GPRESSURE: 2099800 152.395 12 -184.153 79.4666 244.752 -41.8219 48.0812 -315.343 3.57158 PRESSAVG: 2099800 3.30324 -58.2648 -0.602676 -58.2648 4.07349 -62.6425 -0.602588 -62.6425 17.2198 GPRESSAVG: 2099800 4.16654 -59.0186 0.0239926 -57.1858 4.68407 -62.0217 1.69571 -61.3471 16.3757 TIMING: 2099800 CPU: 6561.64, 0.00310567/step Wall: 6561.64, 0.00310567/step, 2.50196 hours remaining, 234.621094 MB of memory in use. ENERGY: 2099800 3945.0675 20627.8377 14411.7300 263.6178 -203444.6660 2700.0751 0.0000 0.0000 52024.4573 -109471.8805 298.9853 -161496.3379 -109106.1034 299.6603 106.1661 133.5728 759144.5482 8.1988 8.4088 PRESSURE: 2100000 -149.375 -83.6044 93.3672 -83.6041 268.646 -33.3545 93.3666 -33.3555 249.018 GPRESSURE: 2100000 -92.65 -120.477 138.818 66.1938 306.407 -18.7845 85.4055 -57.9873 238.382 PRESSAVG: 2100000 -24.0052 -44.496 27.4215 -44.4959 55.0861 -36.0716 27.4215 -36.0716 -1.11237 GPRESSAVG: 2100000 -25.1962 -45.9919 27.1415 -43.4131 56.1549 -36.984 27.1759 -37.5188 -1.28463 TIMING: 2100000 CPU: 6562.27, 0.00314526/step Wall: 6562.27, 0.00314526/step, 2.53368 hours remaining, 234.621094 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: 2100000 4032.7589 20466.0753 14404.9527 245.0366 -203582.7825 2862.7953 0.0000 0.0000 52001.2729 -109569.8907 298.8520 -161571.1636 -109200.4206 299.4897 122.7629 150.7132 761126.9825 9.9895 9.8914 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2100000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2100000 WRITING COORDINATES TO RESTART FILE AT STEP 2100000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2100000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2100200 -92.1732 -62.831 -4.3518 -62.8308 39.341 -227.365 -4.35166 -227.366 300.312 GPRESSURE: 2100200 -129.003 -9.77033 -37.9698 -78.3586 97.7682 -159.866 17.6388 -169.006 346.328 PRESSAVG: 2100200 -99.6116 -8.7464 49.3138 -8.74639 35.0523 2.02862 49.3138 2.02858 -2.13677 GPRESSAVG: 2100200 -99.7084 -5.8241 50.0246 -10.9025 35.0074 1.55422 49.5162 5.20579 -2.60987 TIMING: 2100200 CPU: 6562.91, 0.00319729/step Wall: 6562.91, 0.00319729/step, 2.57542 hours remaining, 234.746094 MB of memory in use. ENERGY: 2100200 3955.5236 20688.7141 14436.8200 244.1866 -203604.9420 2964.0431 0.0000 0.0000 51792.4868 -109523.1679 297.6521 -161315.6547 -109148.1562 298.3242 82.4934 105.0310 762001.8289 -22.2320 -22.4369 LDB: ============= START OF LOAD BALANCING ============== 6575.39 LDB: ============== END OF LOAD BALANCING =============== 6575.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6575.39 LDB: ============= START OF LOAD BALANCING ============== 6575.7 LDB: Largest compute 7078 load 0.029949 is 15.4% of average load 0.194967 LDB: Average compute 0.004384 is 2.2% of average load 0.194967 LDB: TIME 6575.7 LOAD: AVG 0.194967 MAX 0.216143 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.648 MB LDB: TIME 6575.7 LOAD: AVG 0.194967 MAX 0.216143 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.852 MB LDB: TIME 6575.7 LOAD: AVG 0.194967 MAX 0.216143 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.852 MB LDB: ============== END OF LOAD BALANCING =============== 6575.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6575.71 PRESSURE: 2100400 -133.433 39.7976 25.5543 39.7975 249.787 142.731 25.5541 142.732 116.091 GPRESSURE: 2100400 -60.8339 21.5721 -66.5506 86.5283 258.033 115.069 56.232 74.7086 114.689 PRESSAVG: 2100400 -53.4554 -33.7321 77.0905 -33.7321 32.792 30.8634 77.0906 30.8634 -3.15499 GPRESSAVG: 2100400 -53.3852 -36.5309 75.7366 -32.1872 32.72 30.6941 76.4792 29.4042 -3.01231 TIMING: 2100400 CPU: 6563.54, 0.00316098/step Wall: 6563.54, 0.00316098/step, 2.546 hours remaining, 234.679688 MB of memory in use. ENERGY: 2100400 4051.8313 20518.1728 14459.9180 254.1877 -203681.5559 2926.8357 0.0000 0.0000 52098.1063 -109372.5041 299.4085 -161470.6104 -109027.7115 298.7481 77.4816 103.9627 760059.5332 -7.9395 -7.8925 PRESSURE: 2100600 -371.635 -147.495 -38.6782 -147.494 -118.262 -126.881 -38.6777 -126.88 -649.579 GPRESSURE: 2100600 -304.618 -201.762 -105.91 -216.277 -105.424 -121.973 8.41274 -94.2546 -639.776 PRESSAVG: 2100600 -36.3393 -50.057 87.8813 -50.057 -8.98657 -1.21792 87.8814 -1.21793 -4.94057 GPRESSAVG: 2100600 -36.2557 -50.1155 87.982 -49.5409 -9.52818 -1.89148 86.704 -1.09784 -4.55773 TIMING: 2100600 CPU: 6564.17, 0.00311302/step Wall: 6564.17, 0.00311303/step, 2.5072 hours remaining, 234.882812 MB of memory in use. ENERGY: 2100600 4082.7492 20510.0009 14415.8972 264.2599 -203180.5350 2426.4860 0.0000 0.0000 52142.1319 -109339.0098 299.6615 -161481.1417 -108973.7484 298.9854 -379.8254 -349.9394 762501.8242 -16.7555 -16.7806 PRESSURE: 2100800 -196.539 142.314 72.8755 142.314 440.133 -19.844 72.8756 -19.843 140.144 GPRESSURE: 2100800 -111.95 202.658 159.153 102.162 455.723 -84.2198 139.048 123.161 132.339 PRESSAVG: 2100800 -20.6145 -18.5769 72.5688 -18.5769 43.6617 16.4156 72.5688 16.4157 14.8277 GPRESSAVG: 2100800 -20.914 -18.8839 72.2019 -19.177 43.2134 18.0047 74.2775 15.838 15.6856 TIMING: 2100800 CPU: 6564.79, 0.00311896/step Wall: 6564.79, 0.00311896/step, 2.5118 hours remaining, 234.882812 MB of memory in use. ENERGY: 2100800 3995.3878 20546.4080 14496.7668 239.1804 -203599.6484 2858.0879 0.0000 0.0000 52099.3637 -109364.4538 299.4158 -161463.8175 -109002.0241 299.2114 127.9128 158.7041 760162.2304 12.6250 12.6617 PRESSURE: 2101000 84.1879 149.519 -38.3178 149.519 261.168 241.012 -38.3178 241.013 325.177 GPRESSURE: 2101000 255.912 54.0021 -4.8724 113.051 177.038 280.067 94.3412 156.318 310.165 PRESSAVG: 2101000 -21.0956 -2.91686 42.7166 -2.91686 23.0858 26.5094 42.7165 26.5095 -19.1808 GPRESSAVG: 2101000 -20.4222 -3.23985 44.3802 -2.4516 24.148 24.5722 42.5818 27.191 -20.7922 TIMING: 2101000 CPU: 6565.42, 0.00314126/step Wall: 6565.42, 0.00314126/step, 2.52959 hours remaining, 234.882812 MB of memory in use. ENERGY: 2101000 3971.2618 20537.1654 14462.7618 244.9342 -203680.6888 2806.5273 0.0000 0.0000 52310.8033 -109347.2349 300.6309 -161658.0383 -108980.7939 299.1732 223.5108 247.7051 761475.0570 -5.7302 -5.6888 PRESSURE: 2101200 67.9904 157.315 6.56871 157.315 237.221 -92.6803 6.56821 -92.6799 429.9 GPRESSURE: 2101200 151.133 222.47 -137.965 152.465 193.449 -148.347 112.223 -35.8805 476.758 PRESSAVG: 2101200 -24.9557 -32.713 25.4635 -32.713 31.1386 -15.1062 25.4634 -15.1061 -26.1187 GPRESSAVG: 2101200 -24.7166 -31.7376 24.8406 -33.9488 30.6954 -14.3805 25.0509 -15.856 -25.6879 TIMING: 2101200 CPU: 6566.04, 0.00312865/step Wall: 6566.04, 0.00312865/step, 2.51926 hours remaining, 234.882812 MB of memory in use. ENERGY: 2101200 3944.1468 20266.2494 14474.5225 257.4062 -203204.2117 2716.5149 0.0000 0.0000 52407.6690 -109137.7028 301.1876 -161545.3718 -108767.7227 299.8865 245.0369 273.7801 761528.9020 -6.6452 -6.5697 PRESSURE: 2101400 -0.959285 73.0632 142.7 73.0623 -98.4427 4.69527 142.7 4.6954 -390.891 GPRESSURE: 2101400 4.85388 105.082 123.602 16.8971 -41.1945 33.8911 -31.9887 -4.03182 -368.022 PRESSAVG: 2101400 0.827346 -28.9141 -5.27637 -28.9141 56.3762 -8.17249 -5.27636 -8.17243 -29.3617 GPRESSAVG: 2101400 -0.016088 -28.8274 -5.76204 -27.1805 56.7446 -9.00023 -6.48455 -9.61356 -28.8092 TIMING: 2101400 CPU: 6566.67, 0.00311447/step Wall: 6566.67, 0.00311447/step, 2.50767 hours remaining, 234.882812 MB of memory in use. ENERGY: 2101400 4004.7416 20693.0292 14440.9982 235.9609 -202975.3531 2443.0764 0.0000 0.0000 51839.4406 -109318.1063 297.9220 -161157.5469 -108957.3814 299.6695 -163.4309 -134.7876 761001.1621 9.2806 9.3064 PRESSURE: 2101600 598.449 -139.14 70.3064 -139.14 144.223 -210.427 70.3071 -210.426 192.207 GPRESSURE: 2101600 521.904 -136.742 -48.6593 -115.851 234.003 -236.112 18.3659 -243.219 256.492 PRESSAVG: 2101600 -5.95359 -28.412 -8.66512 -28.412 -9.52633 -4.30381 -8.66506 -4.30389 1.93779 GPRESSAVG: 2101600 -6.78482 -28.0461 -7.85508 -27.5086 -8.73156 -2.94704 -7.1709 -4.36072 1.79462 TIMING: 2101600 CPU: 6567.29, 0.00310628/step Wall: 6567.29, 0.00310628/step, 2.5009 hours remaining, 234.882812 MB of memory in use. ENERGY: 2101600 3928.2720 20478.1526 14476.9224 254.3066 -203466.6505 2788.7159 0.0000 0.0000 52151.0272 -109389.2538 299.7127 -161540.2811 -109022.4216 299.3009 311.6263 337.4663 762269.4871 -4.5140 -4.5739 PRESSURE: 2101800 286.847 -63.0456 197.329 -63.0445 483.296 30.2866 197.328 30.2863 499.644 GPRESSURE: 2101800 430.152 -40.3894 290.078 -77.1054 465.462 26.7995 181.258 25.9244 456.646 PRESSAVG: 2101800 32.4372 -25.0048 25.0821 -25.0048 9.61442 -75.3593 25.0821 -75.3593 14.5529 GPRESSAVG: 2101800 34.775 -24.9036 23.9294 -26.4718 8.47252 -75.775 24.5066 -74.2004 13.296 TIMING: 2101800 CPU: 6567.91, 0.00311468/step Wall: 6567.91, 0.00311468/step, 2.50749 hours remaining, 234.882812 MB of memory in use. ENERGY: 2101800 3992.8793 20510.2471 14457.0773 242.4255 -203214.4730 2704.6460 0.0000 0.0000 52118.8078 -109188.3899 299.5275 -161307.1978 -108823.2697 298.8029 423.2621 450.7535 761629.4940 18.8682 18.8478 PRESSURE: 2102000 -83.9232 -51.5961 97.3326 -51.5959 -170.081 -245.771 97.3319 -245.771 -82.3637 GPRESSURE: 2102000 -109.572 -48.989 96.0495 155.857 -96.8116 -327.823 35.9788 -246.426 -47.5489 PRESSAVG: 2102000 -4.9131 -70.4066 -30.2799 -70.4065 10.7789 -45.5064 -30.2799 -45.5064 -14.0145 GPRESSAVG: 2102000 -6.34699 -70.9025 -29.3053 -68.3857 11.9982 -46.6217 -29.9948 -44.7554 -13.5027 TIMING: 2102000 CPU: 6568.54, 0.00312845/step Wall: 6568.54, 0.00312845/step, 2.5184 hours remaining, 234.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2102000 4009.8749 20589.6810 14491.6072 232.8610 -203202.5488 2709.1792 0.0000 0.0000 52159.3144 -109010.0310 299.7603 -161169.3454 -108655.8928 299.8189 -112.1227 -84.6441 761527.8419 -2.7162 -2.6172 PRESSURE: 2102200 31.5786 144.641 -106.284 144.642 96.8677 -172.852 -106.284 -172.853 136.872 GPRESSURE: 2102200 120.598 133.448 -151.229 233.099 86.6567 -147.225 -83.0463 -126.437 145.8 PRESSAVG: 2102200 -53.1613 5.03383 -18.1942 5.03379 54.3758 -5.62344 -18.1942 -5.62348 11.3864 GPRESSAVG: 2102200 -53.866 5.40247 -18.2876 2.70485 54.9629 -4.28065 -19.1297 -5.5249 11.352 TIMING: 2102200 CPU: 6569.16, 0.00311849/step Wall: 6569.16, 0.00311849/step, 2.51021 hours remaining, 234.882812 MB of memory in use. ENERGY: 2102200 4077.7942 20426.2054 14436.5494 259.5719 -203421.7267 2719.6434 0.0000 0.0000 52470.0781 -109031.8843 301.5463 -161501.9624 -108672.3582 300.5989 88.4393 117.6847 761299.4096 4.2003 4.1496 PRESSURE: 2102400 -187.466 1.11921 257.943 1.11954 -23.4204 -22.7182 257.943 -22.7174 84.5753 GPRESSURE: 2102400 -169.108 49.1974 183.558 -77.1199 -15.9592 -20.1802 257.304 -87.8117 129.809 PRESSAVG: 2102400 -42.7698 29.0815 3.415 29.0815 38.6129 5.19959 3.41497 5.19954 24.0557 GPRESSAVG: 2102400 -40.9885 30.0224 4.14878 30.2138 36.5673 7.27141 5.75911 3.48686 24.5667 TIMING: 2102400 CPU: 6569.78, 0.00310033/step Wall: 6569.78, 0.00310033/step, 2.49542 hours remaining, 234.882812 MB of memory in use. ENERGY: 2102400 4009.5304 20559.7696 14458.4276 240.0211 -202936.3354 2546.7862 0.0000 0.0000 51916.8659 -109204.9347 298.3669 -161121.8005 -108845.9117 300.0911 -42.1038 -18.4194 761223.9985 6.6329 6.7151 PRESSURE: 2102600 -96.9096 34.4596 94.1196 34.4589 -242.674 -26.6692 94.12 -26.6697 -206.804 GPRESSURE: 2102600 -79.2193 16.9706 100.949 -10.8078 -198.318 -35.482 98.7156 -49.2943 -205.345 PRESSAVG: 2102600 -79.2331 -26.216 49.0238 -26.216 43.2828 3.48003 49.0238 3.48008 -13.6358 GPRESSAVG: 2102600 -80.722 -27.9265 49.6828 -24.4786 44.3048 1.66636 48.8517 2.36355 -13.9593 TIMING: 2102600 CPU: 6570.4, 0.00309683/step Wall: 6570.4, 0.00309683/step, 2.49243 hours remaining, 234.882812 MB of memory in use. ENERGY: 2102600 3967.0767 20581.3087 14425.9047 250.7486 -202868.7474 2398.6955 0.0000 0.0000 51981.1674 -109263.8459 298.7365 -161245.0133 -108897.3915 299.4486 -182.1292 -160.9609 761094.4363 -16.5287 -16.7921 PRESSURE: 2102800 -270.1 -261.169 -91.5355 -261.17 -326.145 28.3896 -91.5352 28.3898 -369.716 GPRESSURE: 2102800 -225.682 -295.722 -133.297 -129.392 -288.168 105.566 -34.4769 -16.3984 -368.456 PRESSAVG: 2102800 -14.6253 -32.9547 32.798 -32.9547 59.5203 -12.7831 32.798 -12.783 -10.805 GPRESSAVG: 2102800 -14.8968 -32.1598 32.4863 -35.6287 59.43 -14.6148 31.913 -10.5977 -10.3911 TIMING: 2102800 CPU: 6571.02, 0.00310384/step Wall: 6571.02, 0.00310384/step, 2.4979 hours remaining, 234.882812 MB of memory in use. ENERGY: 2102800 3995.2238 20515.8577 14533.4797 254.3732 -203134.0752 2529.7333 0.0000 0.0000 52216.8758 -109088.5316 300.0911 -161305.4074 -108718.2249 300.2621 -321.9867 -294.1018 761607.5365 11.3633 11.3807 PRESSURE: 2103000 24.0063 -0.0574238 -107.284 -0.0585045 33.4339 -28.6648 -107.283 -28.6648 -12.513 GPRESSURE: 2103000 93.853 -18.0139 -99.9554 0.9293 53.0238 24.7769 -134.004 -22.2243 1.34379 PRESSAVG: 2103000 45.945 -16.0555 25.3229 -16.0556 -23.6687 -59.6656 25.3229 -59.6655 4.82569 GPRESSAVG: 2103000 47.0134 -15.423 23.6996 -15.8389 -23.9789 -58.5251 25.0233 -59.6082 4.41622 TIMING: 2103000 CPU: 6571.64, 0.0030999/step Wall: 6571.64, 0.0030999/step, 2.49456 hours remaining, 234.882812 MB of memory in use. ENERGY: 2103000 4046.1522 20396.5835 14532.0937 253.3648 -203621.7201 2937.5465 0.0000 0.0000 52221.0018 -109234.9775 300.1148 -161455.9793 -108869.5763 300.0726 14.9757 49.4069 761028.2642 9.0340 9.1502 PRESSURE: 2103200 49.1047 136.284 138.548 136.285 -27.2898 -470.386 138.547 -470.387 -157.162 GPRESSURE: 2103200 20.3519 169.982 198.142 105.28 16.5188 -506.853 62.4525 -378.902 -84.3794 PRESSAVG: 2103200 -69.2596 8.37846 41.5308 8.37855 44.2228 -19.9654 41.5307 -19.9654 6.97236 GPRESSAVG: 2103200 -68.9252 6.4458 43.738 11.0386 43.4048 -18.0988 43.882 -20.2924 6.29373 TIMING: 2103200 CPU: 6572.26, 0.00310801/step Wall: 6572.26, 0.00310801/step, 2.50091 hours remaining, 234.882812 MB of memory in use. ENERGY: 2103200 3980.3570 20410.9974 14452.6085 244.9554 -202973.1321 2588.3509 0.0000 0.0000 51936.6902 -109359.1727 298.4809 -161295.8629 -108997.0978 299.2841 -45.1157 -15.8362 762103.6738 -6.0215 -6.4089 PRESSURE: 2103400 132.483 118.324 120.995 118.323 1.99953 -38.9374 120.995 -38.9376 254.811 GPRESSURE: 2103400 218.021 89.133 153.475 61.3572 -28.3005 -8.20767 28.3954 -45.037 261.651 PRESSAVG: 2103400 22.1097 -30.0994 23.0258 -30.0994 -36.7975 2.32196 23.0259 2.32196 0.565014 GPRESSAVG: 2103400 22.0223 -30.2711 23.2457 -32.8528 -35.8001 2.01242 21.2626 2.53112 0.175172 TIMING: 2103400 CPU: 6572.89, 0.00312045/step Wall: 6572.89, 0.00312045/step, 2.51075 hours remaining, 234.882812 MB of memory in use. ENERGY: 2103400 3904.8243 20545.8760 14458.7732 253.7935 -203091.5870 2715.3192 0.0000 0.0000 51981.6794 -109231.3212 298.7394 -161213.0006 -108870.7545 299.0450 129.7643 150.4572 762516.3393 -4.7076 -4.5342 PRESSURE: 2103600 -211.527 -202.33 61.2697 -202.331 -400.166 -89.8561 61.2701 -89.8564 -164.14 GPRESSURE: 2103600 -246.252 -110.231 80.5609 -93.3364 -340.818 -55.5575 63.7924 -72.4047 -125.149 PRESSAVG: 2103600 -22.0315 -38.1756 -9.66909 -38.1757 8.90593 -3.45273 -9.66912 -3.45263 -10.5471 GPRESSAVG: 2103600 -23.8372 -36.1445 -10.4088 -37.995 9.65785 -5.5025 -9.31905 -5.58529 -9.6608 TIMING: 2103600 CPU: 6573.52, 0.00314882/step Wall: 6573.52, 0.00314882/step, 2.5334 hours remaining, 234.882812 MB of memory in use. ENERGY: 2103600 3998.4517 20387.1272 14429.6735 247.2838 -202624.4851 2413.4834 0.0000 0.0000 52102.4525 -109046.0130 299.4335 -161148.4655 -108689.1449 299.3842 -258.6112 -237.4063 764577.2989 -7.8909 -7.9467 PRESSURE: 2103800 75.902 144.353 -99.7558 144.353 -3.99982 85.55 -99.7555 85.5501 -117.621 GPRESSURE: 2103800 71.6348 96.7567 -200.789 74.6553 -12.9359 49.3722 -67.782 51.4506 -0.61754 PRESSAVG: 2103800 -18.0955 -17.9961 5.68775 -17.9962 55.6269 24.2352 5.68772 24.2353 -4.86195 GPRESSAVG: 2103800 -16.5592 -18.8567 5.77254 -19.3324 53.9629 25.4181 3.70262 25.4134 -3.828 TIMING: 2103800 CPU: 6574.14, 0.00314104/step Wall: 6574.14, 0.00314104/step, 2.52697 hours remaining, 234.882812 MB of memory in use. ENERGY: 2103800 3929.5892 20455.7202 14423.7346 248.6314 -202999.3554 2552.0213 0.0000 0.0000 52156.9328 -109232.7259 299.7466 -161389.6588 -108880.0675 299.3144 -15.2397 19.3605 761056.6849 10.8898 11.1919 PRESSURE: 2104000 -43.4703 -130.156 91.9179 -130.156 -45.9413 11.71 91.9176 11.7108 -174.35 GPRESSURE: 2104000 -70.9119 -53.4522 87.2856 -130.86 51.4668 52.0203 -4.16127 -40.8938 -147.913 PRESSAVG: 2104000 -73.0158 -11.0819 -35.287 -11.0818 38.4843 -21.2489 -35.287 -21.2488 8.15213 GPRESSAVG: 2104000 -73.0712 -10.6785 -37.1402 -8.78196 39.4347 -21.3926 -33.6485 -19.0202 7.39294 TIMING: 2104000 CPU: 6574.77, 0.00314291/step Wall: 6574.77, 0.00314291/step, 2.5283 hours remaining, 234.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2104000 4008.6524 20512.9645 14474.0481 246.5804 -203022.5708 2577.3126 0.0000 0.0000 52053.6931 -109149.3197 299.1533 -161203.0129 -108792.7576 299.1684 -87.9206 -55.7862 763631.7691 -8.7931 -8.7478 PRESSURE: 2104200 -120.702 -136.048 155.439 -136.047 170.114 129.129 155.439 129.13 179.29 GPRESSURE: 2104200 -25.2185 -58.2877 119.674 -124.107 130.981 81.8344 115.748 105.946 187.426 PRESSAVG: 2104200 -50.2445 -20.7492 1.44234 -20.7491 41.0168 29.6331 1.4423 29.6331 0.0644063 GPRESSAVG: 2104200 -49.3492 -20.656 4.0008 -19.8731 40.4419 29.6167 0.263925 25.6198 -0.212834 TIMING: 2104200 CPU: 6575.4, 0.00314388/step Wall: 6575.4, 0.00314388/step, 2.5289 hours remaining, 234.882812 MB of memory in use. ENERGY: 2104200 4032.1968 20367.5478 14445.0310 252.6492 -203233.1473 2739.9955 0.0000 0.0000 52276.2858 -109119.4412 300.4325 -161395.7269 -108753.2904 298.9105 76.2340 97.7294 761653.0951 -3.0544 -3.0400 LDB: ============= START OF LOAD BALANCING ============== 6587.88 LDB: ============== END OF LOAD BALANCING =============== 6587.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6587.88 LDB: ============= START OF LOAD BALANCING ============== 6588.19 LDB: Largest compute 7058 load 0.030289 is 15.5% of average load 0.195142 LDB: Average compute 0.004383 is 2.2% of average load 0.195142 LDB: TIME 6588.19 LOAD: AVG 0.195142 MAX 0.217551 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.742 MB LDB: TIME 6588.19 LOAD: AVG 0.195142 MAX 0.217551 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.742 MB LDB: TIME 6588.19 LOAD: AVG 0.195142 MAX 0.217551 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.742 MB LDB: ============== END OF LOAD BALANCING =============== 6588.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6588.2 PRESSURE: 2104400 -67.0644 110.451 -177.421 110.451 203.729 -97.6127 -177.422 -97.6119 -139.629 GPRESSURE: 2104400 -5.73514 170.864 -218.252 -4.45827 165.799 -162.231 -180.756 -163.927 -80.4501 PRESSAVG: 2104400 -20.8226 -3.7883 37.1747 -3.78826 40.5728 -7.92014 37.1747 -7.9201 -15.196 GPRESSAVG: 2104400 -21.8833 -4.35092 37.7829 -5.17587 40.4567 -8.64521 36.8571 -8.03302 -13.9872 TIMING: 2104400 CPU: 6576.03, 0.00316863/step Wall: 6576.03, 0.00316863/step, 2.54864 hours remaining, 234.039062 MB of memory in use. ENERGY: 2104400 4023.6480 20400.4226 14436.0655 251.4175 -202737.4080 2474.4885 0.0000 0.0000 52185.2519 -108966.1139 299.9094 -161151.3659 -108605.9448 299.7678 -0.9882 26.5381 764424.0107 1.5181 1.5287 PRESSURE: 2104600 -268.856 -36.9877 155.025 -36.9879 -188.714 -97.9325 155.025 -97.9325 197.081 GPRESSURE: 2104600 -244.82 96.478 172.385 -31.9703 -47.8723 -3.2 154.309 -98.9584 140.409 PRESSAVG: 2104600 -56.0561 25.5161 -38.2222 25.5162 49.6404 -22.3802 -38.2222 -22.3802 3.39041 GPRESSAVG: 2104600 -55.5297 23.8692 -38.9921 26.0783 49.6723 -22.9535 -38.002 -21.98 2.73483 TIMING: 2104600 CPU: 6576.66, 0.00310931/step Wall: 6576.66, 0.00310931/step, 2.50075 hours remaining, 234.039062 MB of memory in use. ENERGY: 2104600 4023.5689 20490.7141 14452.3952 254.5152 -202477.4061 2363.2427 0.0000 0.0000 52202.1339 -108690.8360 300.0064 -160892.9699 -108325.9787 300.1766 -86.8294 -50.7610 763495.8653 -1.0084 -1.0409 PRESSURE: 2104800 -171.72 -124.225 139.36 -124.225 -176.459 168.68 139.36 168.68 -86.3663 GPRESSURE: 2104800 -146.595 -13.2125 148.575 -61.3713 -159.791 105.046 112.994 233.403 -46.1346 PRESSAVG: 2104800 -89.8772 6.18054 23.6611 6.18059 69.4016 -2.09999 23.6611 -2.09998 -10.8043 GPRESSAVG: 2104800 -88.5962 9.15022 23.4355 5.57548 68.6766 0.426441 24.8596 -0.0206267 -11.802 TIMING: 2104800 CPU: 6577.28, 0.00312/step Wall: 6577.28, 0.00312/step, 2.50917 hours remaining, 234.039062 MB of memory in use. ENERGY: 2104800 3952.0258 20285.4570 14466.8390 217.1633 -202594.1834 2512.1237 0.0000 0.0000 52002.4450 -109158.1296 298.8588 -161160.5746 -108796.5003 299.2030 -144.8482 -117.5069 762945.1444 -10.4266 -10.5739 PRESSURE: 2105000 113.157 95.8239 -61.2826 95.8239 -36.3108 -52.9526 -61.2823 -52.9531 99.3858 GPRESSURE: 2105000 168.166 146.229 16.3878 129.053 8.02064 3.56005 -113.215 -78.5704 77.93 PRESSAVG: 2105000 -64.9961 -20.2305 38.3444 -20.2305 74.8485 -2.23382 38.3444 -2.23383 14.9623 GPRESSAVG: 2105000 -66.3869 -22.7326 39.0614 -20.0007 76.0163 -1.37398 37.967 -4.73513 15.1775 TIMING: 2105000 CPU: 6577.9, 0.00310636/step Wall: 6577.9, 0.00310636/step, 2.49803 hours remaining, 234.039062 MB of memory in use. ENERGY: 2105000 3977.7908 20257.1372 14452.6818 237.7731 -203059.1506 2704.1960 0.0000 0.0000 52195.6446 -109233.9271 299.9691 -161429.5717 -108876.3881 299.0494 58.7440 84.7056 764208.1873 8.2716 8.2690 PRESSURE: 2105200 -145.176 204.436 301.781 204.437 81.7339 109.778 301.782 109.779 46.1131 GPRESSURE: 2105200 -87.2058 197.202 252.216 159.384 122.89 79.4207 276.63 -7.03105 46.3179 PRESSAVG: 2105200 4.49084 -1.22241 35.0042 -1.22249 24.8795 -58.5806 35.0042 -58.5806 -7.29779 GPRESSAVG: 2105200 5.8286 2.46981 34.2759 -1.53753 23.2786 -60.5093 35.3099 -56.3551 -7.02401 TIMING: 2105200 CPU: 6578.52, 0.00311311/step Wall: 6578.52, 0.00311311/step, 2.50329 hours remaining, 234.039062 MB of memory in use. ENERGY: 2105200 3896.9164 20388.0769 14521.9654 264.5486 -203175.8455 2739.5036 0.0000 0.0000 52158.9929 -109205.8418 299.7584 -161364.8346 -108841.9676 299.0832 -5.7762 27.3342 762957.7498 7.3575 7.3611 PRESSURE: 2105400 -85.5818 50.1919 -133.347 50.1915 -192.541 -420.096 -133.346 -420.097 -22.0184 GPRESSURE: 2105400 -168.681 -140.71 -204.456 43.3463 -49.903 -277.704 -142.494 -284.185 -2.27792 PRESSAVG: 2105400 -21.2987 -35.1041 -21.1328 -35.1041 -15.1946 -79.307 -21.1328 -79.307 21.383 GPRESSAVG: 2105400 -22.7527 -39.4714 -21.727 -33.4297 -13.8318 -80.5748 -22.2837 -79.2445 21.6689 TIMING: 2105400 CPU: 6579.15, 0.00310339/step Wall: 6579.15, 0.00310339/step, 2.4953 hours remaining, 234.039062 MB of memory in use. ENERGY: 2105400 3910.1958 20539.6640 14421.6811 237.4643 -202863.7622 2447.1395 0.0000 0.0000 51945.3875 -109362.2300 298.5309 -161307.6176 -109011.3659 298.9707 -100.0470 -73.6207 762467.8639 -5.0368 -4.9718 PRESSURE: 2105600 458.589 13.6447 53.0447 13.6452 -22.7418 -32.9334 53.0445 -32.9333 49.8464 GPRESSURE: 2105600 338.089 173.638 125.156 -27.849 112.335 -15.8705 70.0065 87.0896 105.228 PRESSAVG: 2105600 -13.0276 -41.9156 15.3602 -41.9157 -5.93175 -53.838 15.3603 -53.838 -13.9908 GPRESSAVG: 2105600 -11.7467 -39.0184 15.9555 -43.5552 -5.29026 -52.7988 16.9394 -53.7048 -15.9246 TIMING: 2105600 CPU: 6579.77, 0.00311463/step Wall: 6579.77, 0.00311463/step, 2.50416 hours remaining, 234.039062 MB of memory in use. ENERGY: 2105600 3954.1693 20435.2603 14444.2534 270.0033 -203121.5586 2561.0156 0.0000 0.0000 52122.5456 -109334.3111 299.5490 -161456.8566 -108966.9940 298.8728 161.8979 185.2173 762152.1600 -10.9834 -10.9872 PRESSURE: 2105800 476.242 -131.713 353.067 -131.713 147.929 57.168 353.067 57.168 186.927 GPRESSURE: 2105800 556.484 -121.915 342.094 -151.096 139.085 8.97927 319.079 93.1746 208.605 PRESSAVG: 2105800 -34.1124 1.34151 50.7016 1.34154 56.2935 -35.7199 50.7016 -35.7198 0.517977 GPRESSAVG: 2105800 -33.6928 -0.193588 51.4254 2.92678 55.1822 -38.1717 51.3522 -36.4959 1.61339 TIMING: 2105800 CPU: 6580.39, 0.00311656/step Wall: 6580.39, 0.00311656/step, 2.50554 hours remaining, 234.039062 MB of memory in use. ENERGY: 2105800 3997.1158 20442.5211 14450.1437 259.9344 -203391.3453 2967.4473 0.0000 0.0000 51970.9053 -109303.2776 298.6775 -161274.1829 -108938.7330 298.9751 270.3659 301.3914 760622.3827 7.5664 7.7009 PRESSURE: 2106000 -323.355 -54.6373 -67.3661 -54.6364 -70.8574 -50.5626 -67.3652 -50.5632 -16.4867 GPRESSURE: 2106000 -298.311 0.42007 -131.184 36.5735 -31.2966 -70.0842 -49.361 34.5257 -2.17722 PRESSAVG: 2106000 19.2746 -49.9911 -10.4029 -49.9911 -1.59442 -19.3619 -10.4029 -19.362 -5.21122 GPRESSAVG: 2106000 19.6496 -48.1803 -11.3022 -50.3268 -1.3735 -18.0629 -11.379 -18.6204 -5.7261 TIMING: 2106000 CPU: 6581.01, 0.0031057/step Wall: 6581.01, 0.0031057/step, 2.49664 hours remaining, 234.039062 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: 2106000 3960.4860 20534.1489 14479.1928 252.1226 -203357.4911 2656.3764 0.0000 0.0000 52067.4872 -109407.6772 299.2326 -161475.1644 -109049.1413 299.0380 -136.8996 -110.5948 762320.6137 4.1563 4.1833 PRESSURE: 2106200 95.6194 -7.89618 -41.701 -7.89614 128.994 -55.8301 -41.7009 -55.8293 -258.588 GPRESSURE: 2106200 68.8982 58.2093 -47.3909 15.9519 159.986 -121.096 -11.0159 103.469 -185.499 PRESSAVG: 2106200 -20.0764 22.0452 18.8645 22.0452 25.6262 -47.7846 18.8645 -47.7847 13.9535 GPRESSAVG: 2106200 -21.0067 21.9371 17.1912 22.9087 26.2089 -46.6927 19.6161 -49.2008 14.501 TIMING: 2106200 CPU: 6581.63, 0.00310174/step Wall: 6581.63, 0.00310174/step, 2.49328 hours remaining, 234.039062 MB of memory in use. ENERGY: 2106200 3976.8061 20476.5948 14468.6375 243.3677 -203125.4390 2529.2915 0.0000 0.0000 52080.9431 -109349.7982 299.3099 -161430.7413 -108981.7374 299.0272 -11.3248 14.4618 762920.5685 6.5011 6.5677 PRESSURE: 2106400 208.145 -74.2029 23.175 -74.2015 -156.258 -73.3163 23.1747 -73.317 177.671 GPRESSURE: 2106400 269.43 -91.2594 -46.7275 -27.347 -179.627 35.0304 -1.61995 -108.907 228.781 PRESSAVG: 2106400 -31.6631 23.1476 -26.4433 23.1476 54.9346 31.0905 -26.4434 31.0905 -4.41035 GPRESSAVG: 2106400 -31.8897 20.1496 -27.0255 23.4059 55.1612 30.2734 -26.8524 33.9098 -4.14072 TIMING: 2106400 CPU: 6582.26, 0.00312233/step Wall: 6582.26, 0.00312233/step, 2.50966 hours remaining, 234.039062 MB of memory in use. ENERGY: 2106400 3945.2646 20534.3889 14504.9365 222.5182 -203493.2491 2779.9323 0.0000 0.0000 52127.7069 -109378.5017 299.5786 -161506.2085 -109018.9354 299.0222 76.5192 106.1949 760695.7101 6.2871 6.3769 PRESSURE: 2106600 1.47694 -53.3997 -5.37071 -53.3995 -220.407 55.0671 -5.3716 55.066 -312.698 GPRESSURE: 2106600 -1.40371 -44.0302 88.4492 -4.3662 -182.848 40.8428 27.6284 95.0719 -266.126 PRESSAVG: 2106600 -27.7097 -18.2163 -14.3854 -18.2164 37.9352 -7.70687 -14.3854 -7.70692 -11.8032 GPRESSAVG: 2106600 -27.1339 -14.3607 -14.4312 -19.2437 37.3742 -5.85428 -13.4455 -9.0746 -12.6397 TIMING: 2106600 CPU: 6582.89, 0.00314191/step Wall: 6582.89, 0.00314191/step, 2.52522 hours remaining, 234.039062 MB of memory in use. ENERGY: 2106600 4043.5970 20600.6779 14548.1196 240.6235 -202777.2148 2282.1577 0.0000 0.0000 51961.3867 -109100.6523 298.6228 -161062.0390 -108748.9138 299.4913 -177.2093 -150.1259 761757.3170 -0.5259 -0.7998 PRESSURE: 2106800 -71.6331 -51.846 -118.188 -51.8457 -113.331 -124.118 -118.188 -124.118 207.805 GPRESSURE: 2106800 7.02858 25.116 -132.177 22.8916 -142.802 -128.589 -127.466 -91.8686 229.213 PRESSAVG: 2106800 -41.6216 49.019 15.1713 49.0189 51.5483 -16.6738 15.1713 -16.6738 12.2148 GPRESSAVG: 2106800 -41.7971 47.749 15.5067 49.7128 50.9254 -19.3404 15.1119 -15.6676 12.5048 TIMING: 2106800 CPU: 6583.51, 0.00310618/step Wall: 6583.51, 0.00310618/step, 2.49634 hours remaining, 234.039062 MB of memory in use. ENERGY: 2106800 4052.1693 20402.1381 14451.8437 224.5027 -203561.6809 2896.3528 0.0000 0.0000 52216.8861 -109317.7881 300.0912 -161534.6742 -108968.0185 299.7397 7.6136 31.1463 761495.9507 7.3805 7.2111 PRESSURE: 2107000 -346.227 -104.413 71.102 -104.412 -2.95188 -22.4376 71.1018 -22.4368 290.423 GPRESSURE: 2107000 -157.991 -81.1779 2.77046 24.6734 25.1663 2.56329 34.6448 -9.46748 156.944 PRESSAVG: 2107000 7.22462 -7.06906 -23.5076 -7.06905 0.545281 -55.6692 -23.5075 -55.6692 -29.6253 GPRESSAVG: 2107000 8.04401 -7.05279 -21.4696 -8.35363 0.0399391 -53.816 -26.2471 -55.4141 -29.5881 TIMING: 2107000 CPU: 6584.13, 0.00311825/step Wall: 6584.13, 0.00311825/step, 2.50586 hours remaining, 234.039062 MB of memory in use. ENERGY: 2107000 4024.4794 20613.6139 14490.3762 255.0668 -203691.4180 2803.3241 0.0000 0.0000 52262.9861 -109241.5715 300.3561 -161504.5575 -108888.2755 299.2432 -19.5854 8.0396 760704.9085 -7.2851 -7.1680 PRESSURE: 2107200 446.901 -77.2104 -66.6816 -77.2101 360.454 -29.3851 -66.6823 -29.3841 -279.02 GPRESSURE: 2107200 424.596 -174.445 -67.9671 -78.0352 376.927 -53.4395 -127.078 -169.532 -189.156 PRESSAVG: 2107200 -55.7539 -22.3608 -49.5565 -22.3608 35.784 -16.7257 -49.5565 -16.7256 -15.4234 GPRESSAVG: 2107200 -55.8163 -23.8287 -50.1375 -22.0866 36.1398 -14.9701 -47.8504 -17.8328 -15.5988 TIMING: 2107200 CPU: 6584.75, 0.00311614/step Wall: 6584.75, 0.00311614/step, 2.50399 hours remaining, 234.039062 MB of memory in use. ENERGY: 2107200 3992.3570 20555.6193 14476.1764 267.5523 -203455.8406 2789.1682 0.0000 0.0000 52071.9665 -109303.0010 299.2583 -161374.9675 -108944.3010 299.8056 176.1121 204.1221 761760.2591 -11.7977 -11.7584 PRESSURE: 2107400 103.402 -206.179 101.886 -206.178 384.779 156.121 101.885 156.121 -5.93787 GPRESSURE: 2107400 96.5831 -236.095 107.543 -160.433 439.5 104.849 94.9717 225.402 1.83287 PRESSAVG: 2107400 -4.01967 -63.8128 -22.4262 -63.8128 16.8103 -4.02826 -22.4262 -4.0283 -7.74158 GPRESSAVG: 2107400 -4.16486 -61.953 -23.8615 -65.2752 17.2265 -6.48632 -20.7934 -5.6531 -8.23037 TIMING: 2107400 CPU: 6585.38, 0.0031064/step Wall: 6585.38, 0.0031064/step, 2.49599 hours remaining, 234.039062 MB of memory in use. ENERGY: 2107400 3996.9605 20799.9646 14575.7153 263.2627 -203642.7289 2984.4866 0.0000 0.0000 51855.0968 -109167.2425 298.0120 -161022.3392 -108816.1779 299.7847 160.7478 179.3052 761418.2322 1.6830 1.6104 PRESSURE: 2107600 -373.351 -130.508 -118.92 -130.507 0.420699 94.693 -118.92 94.6939 -206.253 GPRESSURE: 2107600 -357.579 75.3066 -71.1129 -152.399 91.8707 37.867 -241.259 13.1591 -201.996 PRESSAVG: 2107600 -74.7596 23.0864 60.256 23.0863 23.902 20.3787 60.2559 20.3788 -16.2045 GPRESSAVG: 2107600 -75.045 21.947 60.8964 25.097 23.8718 21.7233 58.1025 22.6503 -15.463 TIMING: 2107600 CPU: 6586, 0.00312003/step Wall: 6586, 0.00312003/step, 2.50677 hours remaining, 234.039062 MB of memory in use. ENERGY: 2107600 4145.9204 20560.3340 14495.0692 240.7101 -203740.1631 2949.1417 0.0000 0.0000 51957.3876 -109391.6002 298.5998 -161348.9878 -109025.4349 298.9401 -193.0612 -155.9015 763230.0976 -22.3541 -22.2120 PRESSURE: 2107800 -242.341 -154.944 262.96 -154.943 101.437 21.3877 262.96 21.3878 278.508 GPRESSURE: 2107800 -104.979 -314 228.009 -64.2496 80.0073 151.783 211.579 -40.2649 240.708 PRESSAVG: 2107800 -49.2297 -50.6907 27.2629 -50.6907 35.8707 11.5401 27.2628 11.54 7.18227 GPRESSAVG: 2107800 -49.4303 -50.3092 28.3612 -51.6472 37.2068 11.3542 25.3718 12.3899 6.93306 TIMING: 2107800 CPU: 6586.62, 0.00311904/step Wall: 6586.62, 0.00311904/step, 2.5058 hours remaining, 234.039062 MB of memory in use. ENERGY: 2107800 3996.5677 20520.3519 14523.8419 262.5441 -203802.6652 2853.2629 0.0000 0.0000 52035.6482 -109610.4485 299.0496 -161646.0968 -109248.8703 299.0799 45.8681 71.9121 761344.5458 -2.0589 -1.7635 PRESSURE: 2108000 281.467 219.024 304.446 219.023 323.497 102.883 304.445 102.882 115.939 GPRESSURE: 2108000 314.62 205.508 250.898 232.677 301.817 102.403 283.784 -20.8412 181.565 PRESSAVG: 2108000 -42.5525 -25.7734 55.4711 -25.7734 50.0651 -2.25967 55.4711 -2.2596 -31.3214 GPRESSAVG: 2108000 -43.06 -25.155 54.1458 -27.6244 49.2311 -2.5274 55.9299 -2.31361 -30.5728 TIMING: 2108000 CPU: 6587.25, 0.00311944/step Wall: 6587.25, 0.00311944/step, 2.50595 hours remaining, 234.039062 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: 2108000 4016.9955 20646.7945 14430.7858 244.3758 -203767.1429 3126.8987 0.0000 0.0000 51785.2281 -109516.0644 297.6104 -161301.2926 -109150.8448 299.0217 240.3011 266.0010 761672.3938 -7.9363 -8.1339 PRESSURE: 2108200 -95.1331 -29.5495 54.4567 -29.5496 115.301 -32.7337 54.4562 -32.7349 150.154 GPRESSURE: 2108200 -0.390376 85.3028 -23.1386 35.885 130.12 -14.1365 46.1886 54.8647 131.43 PRESSAVG: 2108200 -33.5398 -46.8648 23.5335 -46.8648 22.7448 35.2442 23.5335 35.2442 24.4678 GPRESSAVG: 2108200 -33.0841 -49.1973 24.2474 -42.4665 22.9869 36.3741 24.9535 34.27 23.757 TIMING: 2108200 CPU: 6587.87, 0.00311888/step Wall: 6587.87, 0.00311888/step, 2.50533 hours remaining, 234.039062 MB of memory in use. ENERGY: 2108200 3935.4478 20506.6073 14412.6746 277.8711 -203551.3793 2685.7029 0.0000 0.0000 52091.1031 -109641.9724 299.3683 -161733.0756 -109264.0270 298.6746 56.7742 87.0530 762871.6278 4.5576 4.5532 LDB: ============= START OF LOAD BALANCING ============== 6600.35 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6600.35 LDB: =============== DONE WITH MIGRATION ================ 6600.35 LDB: ============= START OF LOAD BALANCING ============== 6600.66 LDB: Largest compute 6985 load 0.030790 is 15.8% of average load 0.195052 LDB: Average compute 0.004393 is 2.3% of average load 0.195052 LDB: TIME 6600.66 LOAD: AVG 0.195052 MAX 0.217269 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.301 MB LDB: TIME 6600.66 LOAD: AVG 0.195052 MAX 0.217269 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.301 MB LDB: TIME 6600.66 LOAD: AVG 0.195052 MAX 0.217269 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.301 MB LDB: ============== END OF LOAD BALANCING =============== 6600.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6600.67 PRESSURE: 2108400 111.882 120.465 29.3327 120.465 126.98 80.963 29.3333 80.9634 418.847 GPRESSURE: 2108400 203.927 63.145 52.878 149.299 97.7925 71.1333 -155.53 59.9528 458.98 PRESSAVG: 2108400 -39.8181 -9.45515 -31.9503 -9.45519 66.1271 22.2089 -31.9503 22.2089 -27.7246 GPRESSAVG: 2108400 -38.8276 -8.00889 -32.1584 -10.7808 67.0984 22.5086 -31.9681 20.7015 -29.2292 TIMING: 2108400 CPU: 6588.51, 0.00317626/step Wall: 6588.51, 0.00317626/step, 2.55124 hours remaining, 234.937500 MB of memory in use. ENERGY: 2108400 4024.4771 20437.4974 14446.6113 259.1678 -203633.8890 2732.3139 0.0000 0.0000 51987.7296 -109746.0920 298.7742 -161733.8216 -109388.9580 298.6198 219.2365 253.5665 758616.5454 -0.4719 -0.3195 PRESSURE: 2108600 204.724 75.7229 -188.805 75.7226 47.4084 -2.55911 -188.805 -2.55982 317.313 GPRESSURE: 2108600 253.897 82.1728 -260.754 190.018 180.577 -31.8153 -276.988 -62.3061 218.965 PRESSAVG: 2108600 -61.5375 -28.9697 -34.0144 -28.9697 32.8106 -28.2941 -34.0145 -28.2941 13.3755 GPRESSAVG: 2108600 -60.7097 -29.0589 -34.646 -30.1076 32.3641 -29.0403 -34.0771 -27.2946 12.6785 TIMING: 2108600 CPU: 6589.13, 0.00311843/step Wall: 6589.13, 0.00311843/step, 2.50462 hours remaining, 234.937500 MB of memory in use. ENERGY: 2108600 3966.6696 20459.8138 14449.4916 262.7715 -203681.6671 2933.9644 0.0000 0.0000 51933.8628 -109675.0934 298.4646 -161608.9562 -109315.7144 298.9973 189.8152 217.8129 759686.8600 -5.1171 -5.2224 PRESSURE: 2108800 -115.864 -288.434 199.55 -288.435 227.255 -285.993 199.55 -285.994 342.161 GPRESSURE: 2108800 -62.9961 -146.237 198.984 -228.887 303.007 -261.735 194.475 -311.583 306.512 PRESSAVG: 2108800 -68.1456 -66.1956 20.3348 -66.1956 77.1632 37.9468 20.3349 37.9469 6.53153 GPRESSAVG: 2108800 -70.5437 -64.682 20.0691 -65.2557 78.594 38.8475 19.8001 36.6563 7.33255 TIMING: 2108800 CPU: 6589.75, 0.00310062/step Wall: 6589.75, 0.00310062/step, 2.49014 hours remaining, 234.937500 MB of memory in use. ENERGY: 2108800 3960.5151 20459.6638 14396.1039 253.1472 -203553.9110 2899.4164 0.0000 0.0000 52129.7520 -109455.3126 299.5904 -161585.0646 -109096.7247 298.6567 151.1841 182.1741 762337.2029 5.1830 5.1276 PRESSURE: 2109000 -460.745 -74.1988 -344.954 -74.1992 -326.727 8.39665 -344.954 8.39704 -244.869 GPRESSURE: 2109000 -386.393 -92.1574 -229.39 -55.0536 -415.095 55.6892 -386.946 18.0295 -169.09 PRESSAVG: 2109000 -51.7833 -20.2119 26.0567 -20.2118 69.9165 29.951 26.0567 29.9509 17.764 GPRESSAVG: 2109000 -49.2593 -22.5266 26.3035 -19.5516 69.3614 30.2219 26.32 29.805 16.6175 TIMING: 2109000 CPU: 6590.37, 0.00310414/step Wall: 6590.37, 0.00310414/step, 2.4928 hours remaining, 234.937500 MB of memory in use. ENERGY: 2109000 4044.7903 20522.5849 14443.2455 237.2458 -203134.4438 2427.8374 0.0000 0.0000 51968.8091 -109489.9307 298.6655 -161458.7398 -109130.0062 299.0423 -344.1137 -323.5262 762925.1855 11.9657 12.2399 PRESSURE: 2109200 27.8367 -175.764 104.188 -175.764 -94.6612 -9.3703 104.188 -9.37003 32.051 GPRESSURE: 2109200 -3.12704 -170.945 132.413 -157.75 -7.7563 -70.6368 67.1464 -20.7877 33.3878 PRESSAVG: 2109200 -55.1105 34.0683 -15.2476 34.0683 63.2772 72.9056 -15.2476 72.9055 -2.47197 GPRESSAVG: 2109200 -56.6454 37.951 -15.5722 30.4006 63.8865 73.0655 -16.6841 74.0889 -1.90732 TIMING: 2109200 CPU: 6590.99, 0.00309318/step Wall: 6590.99, 0.00309318/step, 2.48382 hours remaining, 234.937500 MB of memory in use. ENERGY: 2109200 3969.6068 20568.1373 14482.3340 247.3616 -203329.2148 2689.4290 0.0000 0.0000 51978.6726 -109393.6734 298.7221 -161372.3461 -109031.0184 298.8195 -11.5912 7.5015 762869.1449 1.8982 1.7779 PRESSURE: 2109400 -205.456 -20.5443 195.385 -20.5453 357.792 433.708 195.385 433.708 303.339 GPRESSURE: 2109400 -113.578 70.0091 134.124 -130.526 404.605 371.594 87.9023 301.708 250.383 PRESSAVG: 2109400 -59.8811 -10.1382 26.7365 -10.1381 33.5921 18.6797 26.7365 18.6798 39.5826 GPRESSAVG: 2109400 -60.0937 -12.1843 26.5721 -8.99223 33.7047 16.7437 26.1402 19.0996 40.1352 TIMING: 2109400 CPU: 6591.61, 0.00310034/step Wall: 6591.61, 0.00310034/step, 2.4894 hours remaining, 234.937500 MB of memory in use. ENERGY: 2109400 4003.7596 20415.1414 14475.0517 236.4778 -203637.1836 3060.7110 0.0000 0.0000 51884.9905 -109561.0516 298.1838 -161446.0421 -109192.6322 298.2249 151.8917 180.4701 764194.7553 4.4312 4.5820 PRESSURE: 2109600 -339.052 -71.7829 -61.7927 -71.783 66.1938 -44.2965 -61.7936 -44.2972 -210.396 GPRESSURE: 2109600 -277.392 -66.2491 -125.756 -45.2469 66.6805 -30.8412 -32.3308 -97.0196 -193.663 PRESSAVG: 2109600 -50.96 -45.3618 -11.8462 -45.3617 40.112 34.0768 -11.8462 34.0768 10.9046 GPRESSAVG: 2109600 -50.8438 -45.4474 -12.672 -45.4394 39.6374 35.2339 -10.6269 32.9869 11.0785 TIMING: 2109600 CPU: 6592.23, 0.00310712/step Wall: 6592.23, 0.00310712/step, 2.49467 hours remaining, 234.937500 MB of memory in use. ENERGY: 2109600 4030.1544 20401.6353 14477.3435 236.4945 -203125.8385 2614.3819 0.0000 0.0000 51942.0997 -109423.7292 298.5120 -161365.8289 -109072.4057 298.7452 -161.0847 -134.7915 761836.6782 0.0189 -0.0426 PRESSURE: 2109800 -1.47227 86.1752 52.9989 86.1762 0.419605 -36.3385 52.9992 -36.3371 -460.795 GPRESSURE: 2109800 9.5685 149.287 113.102 82.0953 57.4287 -4.99024 122.867 34.8342 -449.517 PRESSAVG: 2109800 -50.7767 -43.5987 13.1031 -43.5986 32.4429 0.697629 13.1031 0.697636 6.07398 GPRESSAVG: 2109800 -52.5402 -42.4834 14.2433 -43.8379 33.0696 2.33762 14.1021 1.65277 7.27021 TIMING: 2109800 CPU: 6592.85, 0.00310998/step Wall: 6592.85, 0.00310998/step, 2.4968 hours remaining, 234.937500 MB of memory in use. ENERGY: 2109800 4036.2999 20559.4811 14466.0397 249.2922 -203309.4401 2774.1204 0.0000 0.0000 52019.2017 -109205.0050 298.9551 -161224.2067 -108849.7007 299.0391 -153.9491 -127.5066 762875.2598 -4.0866 -4.0668 PRESSURE: 2110000 -165.426 89.7926 21.8276 89.7929 77.7985 -99.5701 21.8273 -99.5698 -281.323 GPRESSURE: 2110000 -169.945 79.7903 97.9528 15.4679 187.508 -124.966 44.2339 -87.9299 -320.017 PRESSAVG: 2110000 -48.206 -27.1933 21.4414 -27.1933 28.3475 19.8886 21.4414 19.8887 8.95512 GPRESSAVG: 2110000 -47.1034 -29.5318 21.0397 -24.8648 28.2752 17.7112 21.2802 19.1054 7.72705 TIMING: 2110000 CPU: 6593.47, 0.00309862/step Wall: 6593.47, 0.00309862/step, 2.4875 hours remaining, 234.937500 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: 2110000 3987.8242 20555.0155 14473.6888 232.9188 -203028.2189 2410.3483 0.0000 0.0000 52104.4424 -109263.9809 299.4449 -161368.4233 -108893.1403 299.3805 -122.9836 -100.8179 761674.2022 -3.6345 -3.7004 PRESSURE: 2110200 -148.271 -18.9063 -86.6303 -18.9058 -24.5187 26.375 -86.6299 26.3749 179.941 GPRESSURE: 2110200 -80.8049 -43.1742 -51.6532 -125.024 64.5942 -86.4687 -4.199 -13.3031 116.207 PRESSAVG: 2110200 -18.9634 1.42388 -12.8992 1.42388 40.0307 13.4497 -12.8992 13.4497 -9.01908 GPRESSAVG: 2110200 -18.0927 2.78828 -10.2395 -0.0262223 39.8606 12.613 -14.3067 13.8036 -10.0912 TIMING: 2110200 CPU: 6594.09, 0.00310422/step Wall: 6594.09, 0.00310422/step, 2.49183 hours remaining, 234.937500 MB of memory in use. ENERGY: 2110200 3986.0353 20557.1779 14470.6235 228.1435 -202937.5189 2496.0648 0.0000 0.0000 51980.8252 -109218.6487 298.7345 -161199.4739 -108862.6007 299.5466 2.3839 33.3321 761917.9104 4.0161 3.8922 PRESSURE: 2110400 -138.072 65.2015 67.9201 65.201 319.385 -43.2169 67.9198 -43.216 581.683 GPRESSURE: 2110400 -33.7914 12.7064 -50.9594 -6.81231 263.295 40.25 131.901 -14.7597 604.026 PRESSAVG: 2110400 -61.7783 30.6421 -3.69082 30.6421 74.4957 -1.8999 -3.69083 -1.89993 -1.71322 GPRESSAVG: 2110400 -62.7838 29.423 -5.51337 30.1906 75.1536 0.519762 -3.39321 -1.53995 -0.909544 TIMING: 2110400 CPU: 6594.71, 0.00310591/step Wall: 6594.71, 0.00310591/step, 2.49301 hours remaining, 234.937500 MB of memory in use. ENERGY: 2110400 3958.7362 20588.8260 14494.2198 254.4261 -203480.8903 2740.9485 0.0000 0.0000 51867.7808 -109575.9530 298.0848 -161443.7337 -109215.3756 298.9422 254.3319 277.8433 761930.9255 3.6680 3.8201 PRESSURE: 2110600 122.127 20.47 114.312 20.4708 260.585 -3.71028 114.311 -3.71141 -12.4974 GPRESSURE: 2110600 179.979 -10.4969 169.62 210.672 283.955 35.2638 66.7714 -155.048 -4.7517 PRESSAVG: 2110600 -45.4332 25.3934 42.353 25.3934 66.9399 -4.77064 42.353 -4.77069 -12.7303 GPRESSAVG: 2110600 -45.0843 25.5431 41.8124 27.166 66.4312 -5.72127 43.9759 -3.97936 -12.7049 TIMING: 2110600 CPU: 6595.34, 0.00312432/step Wall: 6595.34, 0.00312432/step, 2.50761 hours remaining, 234.937500 MB of memory in use. ENERGY: 2110600 3989.6147 20531.4902 14469.1414 248.6499 -203612.6154 2838.5320 0.0000 0.0000 52135.9771 -109399.2102 299.6262 -161535.1872 -109032.2566 298.9626 123.4048 153.0609 761639.0119 2.9255 2.8807 PRESSURE: 2110800 -89.9418 49.4311 -54.6693 49.4304 -451.861 63.2523 -54.67 63.2518 17.1844 GPRESSURE: 2110800 -64.0615 150.559 37.2797 88.7357 -408.87 48.5098 -95.9161 134.397 20.875 PRESSAVG: 2110800 -43.0891 -25.0005 9.53738 -25.0005 13.998 33.4461 9.53733 33.4461 -5.15577 GPRESSAVG: 2110800 -42.6117 -24.3977 11.1766 -25.8883 13.8434 32.9992 5.75742 33.7883 -5.7958 TIMING: 2110800 CPU: 6595.97, 0.00313141/step Wall: 6595.97, 0.00313141/step, 2.51313 hours remaining, 234.937500 MB of memory in use. ENERGY: 2110800 4016.7258 20717.8129 14464.5432 233.3664 -203530.8255 2724.3883 0.0000 0.0000 52010.4836 -109363.5054 298.9050 -161373.9890 -108995.0818 298.8841 -174.8729 -150.6854 762955.2250 -11.4156 -11.5214 PRESSURE: 2111000 208.294 44.5386 -172.019 44.539 156.234 -60.4509 -172.019 -60.4513 -48.0615 GPRESSURE: 2111000 279.376 51.0869 -232.538 -123.037 207.476 -73.1987 -25.4593 -86.702 -88.6922 PRESSAVG: 2111000 11.6432 28.8731 56.0728 28.8731 41.2425 31.9526 56.0728 31.9526 20.4839 GPRESSAVG: 2111000 10.7347 29.2904 53.9991 28.3554 41.9086 33.0662 57.9796 29.686 20.6968 TIMING: 2111000 CPU: 6596.6, 0.00315103/step Wall: 6596.6, 0.00315103/step, 2.5287 hours remaining, 234.937500 MB of memory in use. ENERGY: 2111000 3990.0229 20374.3824 14497.8032 251.0337 -203673.2814 2657.4370 0.0000 0.0000 52349.9679 -109552.6342 300.8560 -161902.6021 -109169.1110 298.8703 105.4886 132.7200 760268.7871 24.4565 24.4467 PRESSURE: 2111200 70.2447 5.79965 158.063 5.80005 -266.032 -15.0276 158.063 -15.028 -72.3968 GPRESSURE: 2111200 53.9609 -57.9946 137.244 -94.1206 -165.399 -7.52656 111.496 36.4109 -82.1304 PRESSAVG: 2111200 -11.5274 -2.92289 26.1124 -2.92291 9.12903 13.9194 26.1124 13.9193 -6.25077 GPRESSAVG: 2111200 -12.1409 -2.70607 26.3432 -4.04357 9.90094 12.2469 27.1313 16.651 -6.44213 TIMING: 2111200 CPU: 6597.23, 0.00314747/step Wall: 6597.23, 0.00314747/step, 2.52567 hours remaining, 234.937500 MB of memory in use. ENERGY: 2111200 4072.1188 20408.4673 14487.7756 252.1032 -203392.9250 2687.4962 0.0000 0.0000 52064.0122 -109420.9516 299.2126 -161484.9638 -109059.2750 298.8996 -89.3946 -64.5230 760919.8435 -2.8830 -2.8940 PRESSURE: 2111400 306.147 161.506 -183.353 161.507 18.994 68.2446 -183.353 68.2442 26.1526 GPRESSURE: 2111400 361.067 183.721 -204.342 289.593 20.5505 26.033 -96.4212 200.958 45.4097 PRESSAVG: 2111400 7.47716 -6.3488 8.22273 -6.34882 25.3797 36.1267 8.2227 36.1267 -8.51626 GPRESSAVG: 2111400 8.25688 -6.67235 6.98347 -2.78797 23.017 37.3168 8.03664 34.4272 -7.303 TIMING: 2111400 CPU: 6597.85, 0.00314707/step Wall: 6597.85, 0.00314707/step, 2.52518 hours remaining, 234.937500 MB of memory in use. ENERGY: 2111400 3955.7126 20520.0526 14520.2683 253.5570 -203559.5886 2864.6777 0.0000 0.0000 51926.2429 -109519.0776 298.4208 -161445.3205 -109163.5370 298.6284 117.0978 142.3423 761298.3980 8.1135 7.9903 PRESSURE: 2111600 131.803 -163.186 5.96071 -163.186 -127.31 37.264 5.96017 37.2645 141.255 GPRESSURE: 2111600 161.075 -104.198 18.2548 -74.0885 -41.5688 41.346 -94.5138 -0.889951 113.059 PRESSAVG: 2111600 -4.48965 -40.5687 41.7955 -40.5686 27.7678 23.1088 41.7956 23.1088 -10.7022 GPRESSAVG: 2111600 -5.56016 -39.2596 43.6501 -43.7348 28.4931 22.5148 40.5105 23.7933 -10.5123 TIMING: 2111600 CPU: 6598.48, 0.00312873/step Wall: 6598.48, 0.00312873/step, 2.51028 hours remaining, 234.937500 MB of memory in use. ENERGY: 2111600 3921.6985 20328.6725 14430.4088 230.8300 -203082.0877 2518.4872 0.0000 0.0000 51872.5080 -109779.4826 298.1120 -161651.9906 -109409.9272 298.0438 48.5825 77.5216 761323.2794 4.1920 4.1402 PRESSURE: 2111800 -135.122 23.2189 -84.4793 23.2186 0.772268 32.9019 -84.4789 32.9018 399.3 GPRESSURE: 2111800 -45.0736 -9.07684 -83.669 72.5819 56.2445 40.8177 29.3249 17.2858 349.585 PRESSAVG: 2111800 -16.7364 -3.7329 -11.4018 -3.73291 9.78278 32.2457 -11.4018 32.2458 3.56851 GPRESSAVG: 2111800 -14.6101 -3.89789 -11.1818 0.24447 9.98247 31.1869 -10.909 33.3826 1.44649 TIMING: 2111800 CPU: 6599.11, 0.00312661/step Wall: 6599.11, 0.00312661/step, 2.50841 hours remaining, 234.937500 MB of memory in use. ENERGY: 2111800 4037.1926 20447.0562 14490.3131 256.2641 -203439.8190 2723.1511 0.0000 0.0000 51909.2386 -109576.6033 298.3231 -161485.8419 -109212.2647 298.3643 88.3168 120.2521 760826.0893 -1.1284 -1.0604 PRESSURE: 2112000 -151.14 -98.2936 -1.9904 -98.294 -152.958 -46.0796 -1.99052 -46.0786 -487.322 GPRESSURE: 2112000 -215.696 -27.6324 23.2038 -30.5021 -117.865 -70.1632 70.2516 -45.6362 -363.392 PRESSAVG: 2112000 -12.9477 35.4235 19.8711 35.4235 18.8564 37.4307 19.8712 37.4307 -20.487 GPRESSAVG: 2112000 -14.6269 35.2803 19.1487 33.6291 19.0108 38.4178 21.5226 36.4562 -18.9027 TIMING: 2112000 CPU: 6599.73, 0.00312274/step Wall: 6599.73, 0.00312274/step, 2.50513 hours remaining, 234.937500 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: 2112000 4050.9820 20706.1858 14416.9868 254.7216 -203615.7068 2701.4507 0.0000 0.0000 51955.0598 -109530.3202 298.5864 -161485.3800 -109167.0398 298.3842 -263.8070 -232.3178 761440.5390 -4.8594 -4.8396 PRESSURE: 2112200 127.351 116.908 79.2257 116.908 522.039 17.3655 79.2259 17.3662 39.6936 GPRESSURE: 2112200 167.809 2.68082 4.73412 73.5515 493.799 -18.8378 22.021 138.415 93.7642 PRESSAVG: 2112200 -13.1336 1.22788 1.90418 1.22784 40.1992 21.6782 1.90409 21.6781 14.8713 GPRESSAVG: 2112200 -12.5466 0.173389 2.23746 0.284896 39.2053 21.2946 2.36848 22.1417 14.5887 TIMING: 2112200 CPU: 6600.35, 0.00309875/step Wall: 6600.35, 0.00309875/step, 2.48571 hours remaining, 234.937500 MB of memory in use. ENERGY: 2112200 3899.2245 20723.8841 14380.0332 252.3021 -203789.6686 3016.2983 0.0000 0.0000 51875.2277 -109642.6988 298.1276 -161517.9265 -109276.2135 299.1131 229.6946 251.7906 761127.5243 13.9790 13.7491 LDB: ============= START OF LOAD BALANCING ============== 6612.83 LDB: ============== END OF LOAD BALANCING =============== 6612.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6612.83 LDB: ============= START OF LOAD BALANCING ============== 6613.14 LDB: Largest compute 7078 load 0.030169 is 15.5% of average load 0.194998 LDB: Average compute 0.004388 is 2.3% of average load 0.194998 LDB: TIME 6613.14 LOAD: AVG 0.194998 MAX 0.215317 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.227 MB LDB: TIME 6613.14 LOAD: AVG 0.194998 MAX 0.215317 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.227 MB LDB: TIME 6613.14 LOAD: AVG 0.194998 MAX 0.215317 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.227 MB LDB: ============== END OF LOAD BALANCING =============== 6613.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6613.15 PRESSURE: 2112400 142.255 45.8395 45.2057 45.8393 -443.6 109.315 45.2057 109.314 -324.233 GPRESSURE: 2112400 64.441 3.96692 39.094 76.9765 -340.843 113.918 -73.0062 25.3801 -253.639 PRESSAVG: 2112400 -12.6307 3.02021 17.4069 3.02018 29.8122 10.9366 17.4069 10.9365 -5.41093 GPRESSAVG: 2112400 -12.4184 3.44002 17.6066 4.30053 30.4549 12.0391 16.1021 10.2672 -6.05616 TIMING: 2112400 CPU: 6600.98, 0.00317356/step Wall: 6600.98, 0.00317356/step, 2.54555 hours remaining, 233.539062 MB of memory in use. ENERGY: 2112400 3967.2575 20450.1736 14440.1616 257.2907 -203467.2203 2744.2390 0.0000 0.0000 52178.9028 -109429.1951 299.8729 -161608.0979 -109060.5571 298.5798 -208.5260 -176.6802 762120.7012 3.9235 3.9934 PRESSURE: 2112600 -276.569 -54.6003 265.606 -54.6 39.8683 5.38165 265.607 5.38068 127.975 GPRESSURE: 2112600 -168.472 -71.4233 353.996 -37.085 -10.7442 58.6314 234.026 49.2751 154.332 PRESSAVG: 2112600 -64.5535 43.3727 59.5314 43.3727 -14.138 -1.60614 59.5313 -1.60614 -19.8245 GPRESSAVG: 2112600 -64.2919 43.1739 58.3822 41.5376 -14.3296 -3.54098 59.3327 -2.22316 -19.2463 TIMING: 2112600 CPU: 6601.6, 0.00310006/step Wall: 6601.6, 0.00310006/step, 2.48642 hours remaining, 233.539062 MB of memory in use. ENERGY: 2112600 3988.8813 20572.6439 14441.8803 249.6694 -203474.7106 2759.0674 0.0000 0.0000 52152.0697 -109310.4986 299.7187 -161462.5682 -108955.0033 299.1896 -36.2417 -8.2947 760946.6158 -32.8387 -32.6226 PRESSURE: 2112800 -171.221 -314.288 -167.794 -314.287 159.338 -103.553 -167.793 -103.553 -237.083 GPRESSURE: 2112800 -112.324 -353.281 -149.989 -241.225 161.53 -117.913 -218.331 -57.6004 -188.5 PRESSAVG: 2112800 46.7081 35.1945 69.5332 35.1946 4.85579 10.4961 69.5333 10.4962 -10.6488 GPRESSAVG: 2112800 47.0296 35.6679 69.7265 36.6379 5.35682 10.7741 69.6568 12.3468 -10.7886 TIMING: 2112800 CPU: 6602.23, 0.00310386/step Wall: 6602.23, 0.00310386/step, 2.4893 hours remaining, 233.539062 MB of memory in use. ENERGY: 2112800 4023.7051 20356.3898 14543.8518 274.3274 -203361.3181 2754.2062 0.0000 0.0000 52237.6363 -109171.2015 300.2104 -161408.8379 -108800.6018 299.5910 -82.9888 -46.4315 762626.1273 13.6384 13.8659 PRESSURE: 2113000 13.1209 -129.184 -243.194 -129.183 -240.245 61.6079 -243.195 61.6071 -105.061 GPRESSURE: 2113000 10.9679 -134.013 -181.982 -68.0085 -237.794 -15.0198 -147.992 36.7817 -40.3385 PRESSAVG: 2113000 -10.1212 -14.3618 10.5628 -14.3618 21.1297 42.8208 10.5627 42.8208 -12.4464 GPRESSAVG: 2113000 -10.7665 -14.2349 11.0239 -13.8616 21.1154 43.8697 12.1694 41.7062 -11.3003 TIMING: 2113000 CPU: 6602.85, 0.00311612/step Wall: 6602.85, 0.00311612/step, 2.49895 hours remaining, 233.539062 MB of memory in use. ENERGY: 2113000 3984.1627 20465.2061 14518.6711 259.1258 -203231.2545 2587.6938 0.0000 0.0000 51904.6374 -109511.7575 298.2967 -161416.3949 -109141.2952 299.1472 -110.7285 -89.0548 762220.3638 -0.4793 -0.3171 PRESSURE: 2113200 -498.367 233.632 138.067 233.632 -56.2333 36.8994 138.068 36.8999 150.247 GPRESSURE: 2113200 -490.958 279.111 51.9859 215.746 -8.06231 74.8638 150.975 102.218 164.254 PRESSAVG: 2113200 23.4968 9.00669 18.8535 9.00668 16.9757 48.3426 18.8535 48.3427 8.10844 GPRESSAVG: 2113200 24.3986 7.69436 18.1405 9.47199 17.1364 47.9886 17.5275 48.5474 6.96346 TIMING: 2113200 CPU: 6603.47, 0.00310283/step Wall: 6603.47, 0.00310283/step, 2.48812 hours remaining, 233.539062 MB of memory in use. ENERGY: 2113200 3997.8510 20585.7413 14388.6191 252.6776 -203354.3167 2511.2893 0.0000 0.0000 52153.2540 -109464.8844 299.7255 -161618.1384 -109106.6623 299.0200 -134.7844 -111.5888 762348.9614 16.1936 16.1661 PRESSURE: 2113400 -258.458 81.4307 -61.7232 81.4305 -119.667 -33.0302 -61.7228 -33.0298 131.716 GPRESSURE: 2113400 -200.968 -81.3929 4.96837 51.1299 -49.3235 0.125381 81.4243 60.4989 85.9209 PRESSAVG: 2113400 -48.4505 -34.6289 -1.09754 -34.629 55.6206 -1.7884 -1.09752 -1.78841 6.25048 GPRESSAVG: 2113400 -48.518 -35.6644 -0.298437 -34.876 55.9021 -0.401302 1.33529 -1.86965 6.06194 TIMING: 2113400 CPU: 6604.09, 0.0030975/step Wall: 6604.09, 0.0030975/step, 2.48368 hours remaining, 233.539062 MB of memory in use. ENERGY: 2113400 3949.5377 20668.7511 14465.3074 262.7754 -203785.9685 2941.7221 0.0000 0.0000 52056.6667 -109441.2081 299.1704 -161497.8749 -109078.6153 299.3737 -82.1364 -54.7902 761407.4077 4.4736 4.4820 PRESSURE: 2113600 -345.031 -82.8426 101.481 -82.8424 -553.327 43.3445 101.48 43.3449 -259.036 GPRESSURE: 2113600 -362.585 -142.744 48.4965 -46.1179 -504.739 91.8997 115.18 6.23256 -206.166 PRESSAVG: 2113600 -20.8212 1.36899 35.1638 1.36901 34.9135 11.3523 35.1638 11.3523 21.1843 GPRESSAVG: 2113600 -22.4178 1.98151 35.1819 1.53811 35.425 9.1596 33.1256 11.8928 22.1202 TIMING: 2113600 CPU: 6604.71, 0.00311016/step Wall: 6604.71, 0.00311016/step, 2.49365 hours remaining, 233.539062 MB of memory in use. ENERGY: 2113600 4004.3970 20506.0669 14483.0358 247.4208 -203097.0468 2405.2573 0.0000 0.0000 51819.4598 -109631.4092 297.8071 -161450.8690 -109267.3534 298.7652 -385.7979 -357.8302 762018.5347 11.7589 11.7091 PRESSURE: 2113800 -112.152 108.417 -65.7078 108.417 -155.985 -39.328 -65.7079 -39.3283 238.037 GPRESSURE: 2113800 -40.4842 -22.7638 -51.585 109.751 -169.43 -162.203 -5.26761 13.1884 268.782 PRESSAVG: 2113800 -2.24277 -6.05029 7.57613 -6.05025 5.3525 -85.5666 7.57616 -85.5667 15.6819 GPRESSAVG: 2113800 -1.26642 -5.65805 8.12681 -6.74634 4.43448 -84.5728 7.35543 -86.0609 15.6993 TIMING: 2113800 CPU: 6605.33, 0.00309492/step Wall: 6605.33, 0.00309492/step, 2.48127 hours remaining, 233.539062 MB of memory in use. ENERGY: 2113800 3969.8333 20584.4161 14452.8427 246.3176 -203207.9924 2608.9689 0.0000 0.0000 51743.0260 -109602.5877 297.3679 -161345.6137 -109253.9531 298.1504 -10.0333 19.6227 763789.8855 6.2639 6.2891 PRESSURE: 2114000 -346.086 -76.0758 -54.3636 -76.0759 -312.89 -269.147 -54.3631 -269.148 246.284 GPRESSURE: 2114000 -249.906 7.99144 -5.07607 -71.6141 -257.518 -302.72 -43.0421 -250.652 188.503 PRESSAVG: 2114000 -62.5788 -11.316 -8.56646 -11.316 15.5169 -19.9339 -8.5665 -19.9339 5.31021 GPRESSAVG: 2114000 -63.9596 -9.93046 -9.88517 -12.697 15.534 -19.3821 -7.16975 -19.9054 6.49038 TIMING: 2114000 CPU: 6605.95, 0.00310854/step Wall: 6605.95, 0.00310854/step, 2.49201 hours remaining, 233.539062 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: 2114000 3995.2570 20469.6395 14459.1346 237.2680 -203719.7463 3046.6485 0.0000 0.0000 51908.1786 -109603.6201 298.3170 -161511.7987 -109261.9440 298.3641 -137.5641 -106.3072 762529.8095 -13.9173 -13.9784 PRESSURE: 2114200 -140.062 -142.235 -70.1308 -142.236 -231.061 74.8268 -70.1312 74.8264 -349.716 GPRESSURE: 2114200 -94.2263 -110.648 -59.6023 -232.286 -222.462 19.3302 3.73304 27.8945 -305.843 PRESSAVG: 2114200 -15.2917 31.3022 30.4305 31.3022 3.16834 -45.5639 30.4305 -45.5639 12.081 GPRESSAVG: 2114200 -14.8723 28.9429 32.174 32.9128 4.05144 -46.1136 29.6931 -47.3447 11.315 TIMING: 2114200 CPU: 6606.57, 0.00310408/step Wall: 6606.57, 0.00310408/step, 2.48826 hours remaining, 233.539062 MB of memory in use. ENERGY: 2114200 3953.6687 20464.1102 14516.7094 247.9941 -202907.8668 2373.2819 0.0000 0.0000 51798.8942 -109553.2083 297.6890 -161352.1025 -109193.0242 298.3951 -240.2797 -207.5103 760361.9022 -0.0141 0.1647 PRESSURE: 2114400 229.093 -69.6709 -53.1455 -69.6711 90.777 26.6624 -53.1462 26.6624 119.196 GPRESSURE: 2114400 187.816 -177.575 -88.9595 -132.404 65.6825 86.0323 47.6522 168.215 260.187 PRESSAVG: 2114400 -1.75981 1.9597 -62.0261 1.95976 11.3111 18.8235 -62.0261 18.8236 -12.9607 GPRESSAVG: 2114400 -1.25106 2.4559 -63.7013 2.09381 11.7902 19.5452 -61.2905 18.6143 -13.6965 TIMING: 2114400 CPU: 6607.2, 0.00313085/step Wall: 6607.2, 0.00313085/step, 2.50955 hours remaining, 233.539062 MB of memory in use. ENERGY: 2114400 3977.4713 20471.1094 14484.7650 262.7528 -202928.1326 2238.6620 0.0000 0.0000 52005.3034 -109488.0687 298.8752 -161493.3721 -109129.2003 298.3054 146.3552 171.2285 761480.6840 -1.1364 -1.0525 PRESSURE: 2114600 -101.675 -22.3659 128.996 -22.366 198.045 17.3797 128.996 17.3793 225.946 GPRESSURE: 2114600 74.787 -17.7069 128.997 42.7069 167.099 14.9164 22.0214 -66.9772 151.353 PRESSAVG: 2114600 -8.69012 0.757409 25.8296 0.757418 27.0148 -13.7846 25.8296 -13.7846 14.6695 GPRESSAVG: 2114600 -7.9707 2.89073 25.1753 -0.328261 26.62 -13.6641 25.1256 -12.5073 15.0619 TIMING: 2114600 CPU: 6607.82, 0.00311732/step Wall: 6607.82, 0.00311732/step, 2.49853 hours remaining, 233.539062 MB of memory in use. ENERGY: 2114600 4076.4249 20422.5807 14417.9672 249.8248 -203413.0034 2684.4381 0.0000 0.0000 52106.7422 -109455.0255 299.4582 -161561.7677 -109088.7147 298.9053 107.4387 131.0795 760973.1081 10.9981 11.2371 PRESSURE: 2114800 5.29296 -46.7184 268.373 -46.7192 -127.33 66.0854 268.372 66.0844 4.18008 GPRESSURE: 2114800 45.6861 -71.6136 232.679 33.4655 -159.018 119.673 273.29 77.625 83.7788 PRESSAVG: 2114800 -55.29 -39.2879 44.4477 -39.2879 39.3486 10.8665 44.4477 10.8666 -0.144311 GPRESSAVG: 2114800 -56.397 -40.9909 44.4525 -39.5069 39.9859 9.75059 42.938 9.95306 0.118516 TIMING: 2114800 CPU: 6608.45, 0.00312669/step Wall: 6608.45, 0.00312669/step, 2.50587 hours remaining, 233.539062 MB of memory in use. ENERGY: 2114800 3994.2782 20504.5776 14380.3387 235.1472 -203090.9729 2552.8518 0.0000 0.0000 51916.8291 -109506.9503 298.3667 -161423.7794 -109155.3218 298.7630 -39.2858 -9.8511 761673.3317 -5.3619 -5.4309 PRESSURE: 2115000 6.30198 269.714 14.0616 269.714 -1.76666 -45.4362 14.0616 -45.4361 -148.242 GPRESSURE: 2115000 14.8647 218.922 8.01273 151.771 72.7727 1.30291 6.2137 -113.912 -143.592 PRESSAVG: 2115000 -3.74155 50.1901 0.113117 50.1901 35.0797 21.8165 0.113103 21.8165 4.57086 GPRESSAVG: 2115000 -3.88947 50.5007 2.1855 50.6048 34.1111 23.6693 -0.576203 22.5939 5.84541 TIMING: 2115000 CPU: 6609.07, 0.00312297/step Wall: 6609.07, 0.00312297/step, 2.50271 hours remaining, 233.539062 MB of memory in use. ENERGY: 2115000 3898.7160 20632.7145 14437.4348 238.8803 -203049.6796 2348.8933 0.0000 0.0000 52149.9588 -109343.0819 299.7065 -161493.0407 -108986.4018 299.1151 -47.9022 -18.6516 762642.4585 11.9697 12.0223 PRESSURE: 2115200 -264.249 -169.14 120.952 -169.14 -408.018 63.705 120.952 63.7066 -168.311 GPRESSURE: 2115200 -279.204 -194.299 150.264 -156.131 -313.285 66.3162 2.77172 -46.3266 -147.356 PRESSAVG: 2115200 -22.5685 -3.31978 44.3736 -3.31975 22.0366 -43.6744 44.3736 -43.6744 9.48324 GPRESSAVG: 2115200 -20.9604 -4.02671 42.9533 -3.96898 21.8227 -43.7706 43.5076 -43.8199 7.81025 TIMING: 2115200 CPU: 6609.69, 0.00309695/step Wall: 6609.69, 0.00309695/step, 2.48169 hours remaining, 233.539062 MB of memory in use. ENERGY: 2115200 4045.3622 20365.9337 14350.0633 234.6400 -202969.0048 2237.8668 0.0000 0.0000 52200.0702 -109535.0687 299.9945 -161735.1389 -109174.0291 298.9282 -280.1927 -246.6149 762339.2591 2.9838 2.8909 PRESSURE: 2115400 -49.6522 103.325 -2.76069 103.324 -32.1395 4.20245 -2.76175 4.20331 -12.1235 GPRESSURE: 2115400 -1.94184 107.171 -79.3935 205.718 -46.1764 21.0065 76.8158 -20.5346 36.3454 PRESSAVG: 2115400 35.0854 5.58148 49.5086 5.58145 -22.0782 -38.4678 49.5086 -38.4678 -17.6353 GPRESSAVG: 2115400 34.8552 4.15372 49.3385 8.39952 -22.533 -40.0729 51.1783 -38.3577 -16.9558 TIMING: 2115400 CPU: 6610.31, 0.00310752/step Wall: 6610.31, 0.00310752/step, 2.48998 hours remaining, 233.539062 MB of memory in use. ENERGY: 2115400 3964.8526 20458.3386 14449.0370 264.8359 -203132.6350 2666.2678 0.0000 0.0000 51701.7807 -109627.5225 297.1308 -161329.3033 -109257.6829 299.0399 -31.3051 -3.9243 762534.8715 -1.5427 -1.5446 PRESSURE: 2115600 -188.767 -37.6846 102.944 -37.6831 33.8329 48.7627 102.944 48.7625 -201.572 GPRESSURE: 2115600 -130.202 -44.5131 54.0055 63.0133 65.1694 87.292 1.37527 -15.9234 -213.289 PRESSAVG: 2115600 -7.73647 40.0967 48.722 40.0968 13.632 31.79 48.722 31.79 -13.1322 GPRESSAVG: 2115600 -7.34791 40.9466 50.7652 37.9158 13.3451 33.1211 46.1179 32.3037 -13.1781 TIMING: 2115600 CPU: 6610.93, 0.00310449/step Wall: 6610.93, 0.00310449/step, 2.48739 hours remaining, 233.539062 MB of memory in use. ENERGY: 2115600 3973.9827 20556.1987 14465.3047 258.6070 -204094.6906 3060.5080 0.0000 0.0000 51881.8759 -109898.2136 298.1659 -161780.0895 -109536.3357 298.2171 -118.8353 -92.7738 761041.5390 -2.4122 -2.3936 PRESSURE: 2115800 53.261 100.767 156.365 100.768 -90.895 -221.061 156.365 -221.061 423.46 GPRESSURE: 2115800 -2.30581 138.912 121.676 74.1434 32.4491 -258.419 53.697 -24.5662 428.111 PRESSAVG: 2115800 -30.6791 17.3033 60.1373 17.3033 61.2223 23.9161 60.1373 23.9161 5.01101 GPRESSAVG: 2115800 -31.1287 19.3489 57.7903 18.1848 61.2318 22.4966 61.0378 24.1231 5.26316 TIMING: 2115800 CPU: 6611.56, 0.00310797/step Wall: 6611.56, 0.00310797/step, 2.49 hours remaining, 233.539062 MB of memory in use. ENERGY: 2115800 3934.2648 20609.5325 14410.5984 280.7458 -203754.2417 2838.2202 0.0000 0.0000 51866.8743 -109814.0058 298.0796 -161680.8801 -109456.4531 298.2819 128.6088 152.7513 762049.8197 11.8514 11.7888 PRESSURE: 2116000 123.051 -204.445 -15.109 -204.446 209.76 -336.482 -15.108 -336.481 -466.192 GPRESSURE: 2116000 126.396 -17.5507 44.2276 -230.616 234.11 -309.449 -118.569 -249.102 -417.616 PRESSAVG: 2116000 2.48882 29.9118 44.6802 29.9118 25.0073 -21.8794 44.6802 -21.8794 -3.54311 GPRESSAVG: 2116000 0.713649 30.1752 44.7315 29.792 26.6913 -22.6515 47.7915 -21.4573 -3.62498 TIMING: 2116000 CPU: 6612.18, 0.00310126/step Wall: 6612.18, 0.00310126/step, 2.48445 hours remaining, 233.539062 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: 2116000 4033.4979 20494.5144 14415.7528 239.3090 -203938.9199 2955.2839 0.0000 0.0000 52024.1254 -109776.4366 298.9834 -161800.5620 -109426.1066 298.8865 -44.4603 -19.0367 761422.3208 7.9843 7.9266 PRESSURE: 2116200 148.319 -248.131 25.8099 -248.131 31.762 -13.0621 25.8101 -13.0613 -183.231 GPRESSURE: 2116200 184.067 -223.422 120.66 -230.055 126.13 -6.35289 -60.6852 23.8308 -235.667 PRESSAVG: 2116200 8.17264 31.5295 -24.3461 31.5295 19.2637 3.43694 -24.3461 3.43701 -11.1295 GPRESSAVG: 2116200 10.4183 30.3777 -23.3854 31.9864 18.1507 5.30569 -24.4207 3.68999 -11.9275 TIMING: 2116200 CPU: 6612.8, 0.00310477/step Wall: 6612.8, 0.00310477/step, 2.48709 hours remaining, 233.539062 MB of memory in use. ENERGY: 2116200 3947.3647 20271.2749 14387.3074 259.9586 -203520.0261 2792.8775 0.0000 0.0000 51922.8895 -109938.3535 298.4016 -161861.2430 -109566.3831 297.8197 -1.0500 24.8434 763065.6631 5.4356 5.5472 LDB: ============= START OF LOAD BALANCING ============== 6625.27 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6625.27 LDB: =============== DONE WITH MIGRATION ================ 6625.27 LDB: ============= START OF LOAD BALANCING ============== 6625.59 LDB: Largest compute 7041 load 0.029154 is 14.9% of average load 0.195070 LDB: Average compute 0.004403 is 2.3% of average load 0.195070 LDB: TIME 6625.59 LOAD: AVG 0.19507 MAX 0.218415 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.332 MB LDB: TIME 6625.59 LOAD: AVG 0.19507 MAX 0.218415 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.535 MB LDB: TIME 6625.59 LOAD: AVG 0.19507 MAX 0.216074 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.535 MB LDB: ============== END OF LOAD BALANCING =============== 6625.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6625.6 PRESSURE: 2116400 -181.518 -15.0499 -2.30154 -15.0495 54.1461 -139.553 -2.30215 -139.552 -69.9925 GPRESSURE: 2116400 -178.771 -107.299 29.8387 32.1921 34.5364 -161.641 -87.1577 -35.9789 23.9324 PRESSAVG: 2116400 -11.7064 -22.2656 24.0592 -22.2656 20.0156 13.0953 24.0593 13.0953 -22.2117 GPRESSAVG: 2116400 -13.1155 -22.2927 23.8236 -24.4332 20.4042 14.843 23.507 10.3054 -21.4921 TIMING: 2116400 CPU: 6613.43, 0.00317259/step Wall: 6613.43, 0.00317259/step, 2.54125 hours remaining, 235.082031 MB of memory in use. ENERGY: 2116400 3949.4818 20367.6195 14382.9888 257.9193 -203528.8340 2575.3667 0.0000 0.0000 51908.8063 -110086.6516 298.3206 -161995.4579 -109718.7157 297.9195 -65.7880 -40.1007 762012.1567 -4.6341 -4.7345 PRESSURE: 2116600 -222.447 46.4317 248.238 46.4321 236.593 93.3644 248.238 93.365 210.853 GPRESSURE: 2116600 -64.5858 78.5815 226.159 90.5454 185.727 62.147 206.918 -47.9427 198.914 PRESSAVG: 2116600 22.7121 4.52524 -25.3304 4.52524 16.1547 20.7854 -25.3303 20.7854 44.2583 GPRESSAVG: 2116600 22.7492 2.66364 -25.9961 7.26118 15.5032 17.9813 -25.7419 21.5243 44.5784 TIMING: 2116600 CPU: 6614.06, 0.00312563/step Wall: 6614.06, 0.00312563/step, 2.50345 hours remaining, 235.082031 MB of memory in use. ENERGY: 2116600 3990.3723 20390.0044 14462.1966 254.5765 -203766.2812 2873.9089 0.0000 0.0000 51701.0769 -110094.1455 297.1268 -161795.2224 -109741.7353 297.5397 74.9997 106.6849 761733.1394 27.7083 27.6103 PRESSURE: 2116800 -60.7688 71.3291 89.3007 71.3293 26.7514 -24.633 89.301 -24.6326 -168.451 GPRESSURE: 2116800 -9.42903 11.5527 36.056 139.348 30.5425 -146.83 -12.0372 -198.061 -124.939 PRESSAVG: 2116800 -6.03848 33.2949 -10.5338 33.2949 -23.7165 -18.8796 -10.5337 -18.8796 -19.2363 GPRESSAVG: 2116800 -5.15319 34.2395 -10.7429 31.6186 -24.0343 -18.2178 -9.7472 -20.9195 -19.431 TIMING: 2116800 CPU: 6614.68, 0.00312671/step Wall: 6614.68, 0.00312671/step, 2.50414 hours remaining, 235.082031 MB of memory in use. ENERGY: 2116800 3952.1925 20389.1459 14504.2430 237.2175 -203865.3594 2837.7643 0.0000 0.0000 51844.4565 -110100.3397 297.9508 -161944.7962 -109741.8337 297.5696 -67.4895 -34.6084 761169.4440 -16.3304 -16.2062 PRESSURE: 2117000 -493.193 215.291 -26.1682 215.291 -323.874 143.686 -26.1689 143.687 1.99483 GPRESSURE: 2117000 -488.269 168.937 37.91 238.125 -212.027 100.454 -102.896 80.5689 -12.8693 PRESSAVG: 2117000 -6.22834 -6.53344 15.4898 -6.53345 22.797 -21.2941 15.4897 -21.2941 3.53978 GPRESSAVG: 2117000 -6.55862 -6.13967 17.752 -7.47796 24.1195 -20.1596 14.2828 -20.458 2.62402 TIMING: 2117000 CPU: 6615.31, 0.00312625/step Wall: 6615.31, 0.00312625/step, 2.50361 hours remaining, 235.082031 MB of memory in use. ENERGY: 2117000 3999.0216 20456.6247 14467.4585 254.8434 -203930.8827 3025.9450 0.0000 0.0000 51713.4504 -110013.5391 297.1979 -161726.9895 -109654.2422 297.6329 -271.6906 -237.7216 762945.6135 6.7028 6.7283 PRESSURE: 2117200 -180.589 11.4507 -317.652 11.4513 -350.15 -140.488 -317.651 -140.489 -456.044 GPRESSURE: 2117200 -186.619 -42.546 -276.696 -119.248 -323.042 -113.943 -276.071 -181.58 -412.779 PRESSAVG: 2117200 -10.2797 15.8726 -28.5464 15.8727 -25.9212 22.6377 -28.5465 22.6378 -2.71701 GPRESSAVG: 2117200 -9.78161 16.1999 -31.3143 14.7587 -25.2259 23.516 -27.1966 26.29 -3.68961 TIMING: 2117200 CPU: 6615.93, 0.00309395/step Wall: 6615.93, 0.00309395/step, 2.47756 hours remaining, 235.082031 MB of memory in use. ENERGY: 2117200 3933.0071 20504.8350 14440.6366 248.9567 -203990.9312 2958.5423 0.0000 0.0000 51862.4083 -110042.5450 298.0540 -161904.9533 -109682.2470 297.7216 -328.9274 -307.4801 763622.3476 -12.9726 -12.8991 PRESSURE: 2117400 -36.2383 138.56 21.9307 138.56 -180.474 226.112 21.9313 226.113 148.265 GPRESSURE: 2117400 -69.0295 105.276 17.2329 187.288 -56.9663 171.583 47.359 186.606 128.753 PRESSAVG: 2117400 -10.1993 -2.10091 -1.62143 -2.10092 15.9785 12.7151 -1.62144 12.7152 -12.973 GPRESSAVG: 2117400 -10.1317 -3.35041 0.214427 -0.00757196 15.8099 11.245 -1.01298 9.79277 -12.8872 TIMING: 2117400 CPU: 6616.55, 0.00310491/step Wall: 6616.55, 0.00310491/step, 2.48617 hours remaining, 235.082031 MB of memory in use. ENERGY: 2117400 3943.8484 20430.9356 14529.2066 254.2899 -204105.6784 3058.3742 0.0000 0.0000 51756.0356 -110132.9880 297.4426 -161889.0236 -109781.7817 297.0830 -22.8158 0.9189 761831.2556 -2.3979 -2.4030 PRESSURE: 2117600 125.709 168.813 105.775 168.813 -419.61 67.5552 105.776 67.5565 105.628 GPRESSURE: 2117600 112.348 279.102 75.2778 104.096 -296.717 73.1849 118.901 75.3312 64.151 PRESSAVG: 2117600 -26.4736 5.52298 11.0897 5.52307 22.778 -22.0953 11.0896 -22.0953 5.96992 GPRESSAVG: 2117600 -27.8037 5.9414 11.6604 6.59821 23.9191 -22.2885 9.67937 -20.8808 6.44858 TIMING: 2117600 CPU: 6617.17, 0.00311205/step Wall: 6617.17, 0.00311204/step, 2.49171 hours remaining, 235.082031 MB of memory in use. ENERGY: 2117600 4006.6251 20543.2553 14450.8718 263.4364 -203787.6032 2870.6970 0.0000 0.0000 51754.1655 -109898.5522 297.4319 -161652.7177 -109545.8806 297.5851 -62.7577 -40.0727 762306.5473 0.7581 0.8547 PRESSURE: 2117800 -56.2673 151.438 -131.615 151.438 -172.658 156.683 -131.615 156.683 -693.082 GPRESSURE: 2117800 70.2676 171.158 -112.094 63.6125 -173.426 135.85 -83.9972 95.2276 -731.571 PRESSAVG: 2117800 28.7107 -40.7125 -29.04 -40.7125 -32.3464 -5.29082 -29.04 -5.29086 -17.8187 GPRESSAVG: 2117800 29.2584 -40.3002 -28.7095 -42.4172 -33.696 -5.31747 -30.0846 -5.24811 -17.3217 TIMING: 2117800 CPU: 6617.79, 0.00310256/step Wall: 6617.79, 0.00310256/step, 2.48395 hours remaining, 235.082031 MB of memory in use. ENERGY: 2117800 4050.2817 20475.2595 14392.0673 233.6246 -203675.9545 2743.4906 0.0000 0.0000 51983.6205 -109797.6103 298.7506 -161781.2308 -109435.8178 297.7771 -307.3358 -278.2432 763980.2548 -7.1515 -7.2531 PRESSURE: 2118000 -521.337 82.0376 -263.029 82.0377 -283.978 40.2283 -263.028 40.2283 -24.0667 GPRESSURE: 2118000 -467.575 -2.25602 -252.831 104.673 -263.69 75.3147 -165.832 -50.4978 -14.1943 PRESSAVG: 2118000 -23.1632 13.0466 -20.0519 13.0467 0.921002 15.0471 -20.052 15.047 -8.65757 GPRESSAVG: 2118000 -21.5201 13.0135 -21.0342 12.6669 -0.101918 14.7199 -17.7237 15.4671 -9.49345 TIMING: 2118000 CPU: 6618.41, 0.003112/step Wall: 6618.41, 0.003112/step, 2.49133 hours remaining, 235.082031 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: 2118000 3959.8085 20415.6782 14430.5805 259.4107 -203226.8133 2535.9113 0.0000 0.0000 52018.0801 -109607.3440 298.9486 -161625.4241 -109241.5912 297.8450 -276.4606 -248.4862 764363.6132 -10.2999 -10.3718 PRESSURE: 2118200 196.628 -59.3508 119.874 -59.3517 -622.916 -63.1661 119.875 -63.1667 230.586 GPRESSURE: 2118200 153.9 -78.3807 206.136 -122.28 -489.116 -66.6629 106.472 -157.924 209.978 PRESSAVG: 2118200 9.74163 77.1073 -17.402 77.1074 -4.13587 20.3737 -17.4021 20.3737 -9.69703 GPRESSAVG: 2118200 8.65732 76.9601 -15.9506 78.4635 -3.84649 18.8088 -17.9446 20.1373 -8.69065 TIMING: 2118200 CPU: 6619.03, 0.00311601/step Wall: 6619.03, 0.003116/step, 2.49436 hours remaining, 235.082031 MB of memory in use. ENERGY: 2118200 4041.7958 20506.5119 14416.0769 247.9717 -203595.3633 2868.4055 0.0000 0.0000 51991.9577 -109522.6439 298.7985 -161514.6016 -109156.6314 298.4158 -65.2340 -41.7456 761674.2981 -1.3638 -1.2933 PRESSURE: 2118400 -15.3082 163.992 101.883 163.992 -177.972 -253.411 101.884 -253.411 343.203 GPRESSURE: 2118400 -31.517 60.1801 94.3353 53.2741 -74.8141 -226.408 80.8152 -203.903 331.585 PRESSAVG: 2118400 48.4677 9.25886 19.3662 9.25889 -44.9193 25.6258 19.3662 25.6258 -10.4667 GPRESSAVG: 2118400 47.8034 8.76411 17.5599 7.71236 -43.036 26.6055 19.6918 28.3402 -12.0223 TIMING: 2118400 CPU: 6619.66, 0.00310914/step Wall: 6619.66, 0.00310914/step, 2.4887 hours remaining, 235.082031 MB of memory in use. ENERGY: 2118400 3940.1343 20548.8387 14518.6913 236.3252 -203636.8274 2920.9382 0.0000 0.0000 51880.1581 -109591.7416 298.1560 -161471.8998 -109239.3887 298.6107 49.9742 75.0846 760759.6645 -2.3061 -2.4183 PRESSURE: 2118600 139.729 -192.877 80.9446 -192.878 -69.9273 54.6166 80.9446 54.6167 439.709 GPRESSURE: 2118600 171.843 -202.719 57.4822 -118.829 -6.03885 116.647 -25.6166 42.5573 421.144 PRESSAVG: 2118600 19.84 11.3861 -14.1932 11.3861 17.925 24.0519 -14.1932 24.0519 -0.91664 GPRESSAVG: 2118600 19.9521 10.4283 -13.5059 12.16 17.0216 24.305 -15.7449 22.01 -0.441044 TIMING: 2118600 CPU: 6620.28, 0.0031087/step Wall: 6620.28, 0.0031087/step, 2.48817 hours remaining, 235.082031 MB of memory in use. ENERGY: 2118600 3974.0608 20461.9093 14515.4994 237.6715 -203381.3216 2632.4059 0.0000 0.0000 52118.3986 -109441.3762 299.5252 -161559.7748 -109066.5180 298.8098 169.8370 195.6494 760649.2873 12.2828 12.1775 PRESSURE: 2118800 -13.1416 121.623 -226.361 121.624 -375.112 143.397 -226.361 143.398 -91.3808 GPRESSURE: 2118800 34.4883 102.974 -227.225 45.4587 -257.035 207.844 -167.527 44.5202 -148.4 PRESSAVG: 2118800 -17.7268 34.1486 -53.3029 34.1487 14.7156 89.0632 -53.3029 89.0633 10.9642 GPRESSAVG: 2118800 -17.5439 36.4728 -52.8085 33.4075 15.6307 89.7366 -53.2418 87.2834 10.9667 TIMING: 2118800 CPU: 6620.9, 0.00310733/step Wall: 6620.9, 0.00310733/step, 2.4869 hours remaining, 235.082031 MB of memory in use. ENERGY: 2118800 4058.2850 20636.5499 14559.8652 239.7235 -203999.8536 2986.7120 0.0000 0.0000 52355.2550 -109163.4631 300.8864 -161518.7181 -108805.1204 299.5025 -159.8780 -123.6489 760079.6129 2.6510 3.0178 PRESSURE: 2119000 -77.8503 94.3156 -137.057 94.3158 -36.1162 -134.258 -137.057 -134.258 34.4712 GPRESSURE: 2119000 18.276 66.0306 -193.285 69.1577 -12.0085 -113.971 -26.9169 -213.926 7.63097 PRESSAVG: 2119000 -48.6067 5.02134 -0.46031 5.02138 31.1912 41.0167 -0.46027 41.0167 -5.47458 GPRESSAVG: 2119000 -47.6099 4.0881 0.167449 4.45409 29.516 39.661 -1.75458 42.7568 -4.87784 TIMING: 2119000 CPU: 6621.52, 0.00309218/step Wall: 6621.52, 0.00309218/step, 2.47461 hours remaining, 235.082031 MB of memory in use. ENERGY: 2119000 4007.0856 20627.7266 14595.7781 268.2507 -203630.4251 2793.3475 0.0000 0.0000 52268.6546 -109069.5820 300.3887 -161338.2366 -108708.0765 300.2286 -26.4984 4.6328 761203.4539 -7.6300 -7.6572 PRESSURE: 2119200 42.4854 -134.891 -130.082 -134.892 -19.68 142.177 -130.083 142.177 -119.589 GPRESSURE: 2119200 -72.7633 -126.35 -131.16 -8.85995 69.0539 220.477 -155.404 321.914 -17.1488 PRESSAVG: 2119200 10.3018 -15.8368 -47.8643 -15.8368 -30.1632 65.9146 -47.8642 65.9146 -6.13092 GPRESSAVG: 2119200 9.92167 -18.1446 -50.0508 -16.0992 -30.7382 64.7818 -45.0283 66.393 -5.34104 TIMING: 2119200 CPU: 6622.14, 0.00309356/step Wall: 6622.14, 0.00309356/step, 2.47554 hours remaining, 235.082031 MB of memory in use. ENERGY: 2119200 3990.6368 20652.9879 14510.2865 265.1253 -203424.9626 2763.7634 0.0000 0.0000 52119.6697 -109122.4929 299.5325 -161242.1626 -108757.7416 299.8917 -32.2613 -6.9527 762144.5353 -8.6641 -8.7192 PRESSURE: 2119400 225.247 82.81 89.97 82.8096 -149.814 219.631 89.97 219.631 -462.963 GPRESSURE: 2119400 178.476 114.821 106.337 80.6668 0.420614 210.981 26.2023 131.14 -478.886 PRESSAVG: 2119400 87.5362 -38.6897 -37.4202 -38.6897 -69.6458 43.8002 -37.4202 43.8002 2.92213 GPRESSAVG: 2119400 86.3534 -36.2672 -36.0823 -39.0474 -67.2062 45.2731 -39.7137 44.7613 1.58475 TIMING: 2119400 CPU: 6622.76, 0.00309909/step Wall: 6622.76, 0.00309909/step, 2.47979 hours remaining, 235.082031 MB of memory in use. ENERGY: 2119400 4012.3297 20568.6168 14526.9440 257.4848 -203435.8824 2685.4724 0.0000 0.0000 52409.1610 -108975.8737 301.1962 -161385.0347 -108614.0269 300.1090 -129.1765 -99.9966 763037.0362 6.9375 6.9107 PRESSURE: 2119600 6.81863 50.9801 -219.564 50.9811 -125.521 114.414 -219.564 114.415 251.805 GPRESSURE: 2119600 -23.0428 8.47054 -315.152 47.3155 27.2411 192.419 -226.351 128.036 214.486 PRESSAVG: 2119600 37.6138 -42.6918 6.4198 -42.6918 9.14597 42.4298 6.41982 42.4298 -15.9466 GPRESSAVG: 2119600 37.5007 -45.1926 5.64388 -40.7111 7.62316 42.3848 7.65034 40.0002 -14.7416 TIMING: 2119600 CPU: 6623.38, 0.00309984/step Wall: 6623.38, 0.00309984/step, 2.48021 hours remaining, 235.082031 MB of memory in use. ENERGY: 2119600 3983.3638 20582.0698 14523.9635 270.2285 -203369.1480 2594.4277 0.0000 0.0000 52337.4305 -109077.6642 300.7839 -161415.0946 -108711.3806 300.3896 44.3677 72.8949 762671.9755 10.2711 10.1274 PRESSURE: 2119800 -143.322 126.655 165.633 126.654 -97.8348 121.64 165.634 121.639 457.249 GPRESSURE: 2119800 18.3268 30.2236 109.783 41.2073 -35.6242 88.7465 15.4863 103.88 320.675 PRESSAVG: 2119800 28.2279 7.45881 -37.1233 7.45886 -11.3224 4.9964 -37.1232 4.99637 34.0316 GPRESSAVG: 2119800 27.6183 8.58769 -35.9319 6.52085 -10.0371 5.45153 -36.9712 6.22852 33.0514 TIMING: 2119800 CPU: 6624, 0.00310881/step Wall: 6624, 0.00310881/step, 2.48722 hours remaining, 235.082031 MB of memory in use. ENERGY: 2119800 4062.8136 20531.7008 14458.0998 246.8009 -203455.5151 2907.1781 0.0000 0.0000 52199.5432 -109049.3786 299.9915 -161248.9218 -108685.9784 299.9923 72.0309 101.1259 762128.0722 16.9790 16.8775 PRESSURE: 2120000 206.141 -207.166 -36.4446 -207.166 -70.3174 -19.3788 -36.4453 -19.3777 -98.0151 GPRESSURE: 2120000 207.204 -130.485 -98.398 -146.301 -30.1632 -36.5863 47.9943 -12.9973 -57.7273 PRESSAVG: 2120000 -25.5897 -23.399 -15.3225 -23.3991 -21.7216 -18.5459 -15.3225 -18.5459 32.0814 GPRESSAVG: 2120000 -24.8756 -23.0261 -15.3259 -22.4233 -23.5625 -19.2562 -15.227 -17.6244 33.1761 TIMING: 2120000 CPU: 6624.62, 0.0031261/step Wall: 6624.62, 0.0031261/step, 2.50088 hours remaining, 235.082031 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: 2120000 3933.0697 20800.0842 14487.3647 249.2792 -203324.8260 2636.4331 0.0000 0.0000 52060.9236 -109157.6714 299.1948 -161218.5950 -108796.1770 299.9158 12.6028 39.7713 763202.6478 -5.0766 -5.0873 PRESSURE: 2120200 -238.314 38.544 -27.5093 38.5444 -393.535 29.9389 -27.5095 29.9382 190.027 GPRESSURE: 2120200 -199.046 237.475 23.672 94.9072 -386.077 -65.278 -51.7583 -22.6161 209.441 PRESSAVG: 2120200 37.9393 17.6704 -67.6463 17.6703 -69.6494 -3.0795 -67.6464 -3.07954 4.78305 GPRESSAVG: 2120200 38.1924 15.2037 -67.3063 17.6515 -69.269 -3.1231 -68.3098 -2.54469 3.93066 TIMING: 2120200 CPU: 6625.25, 0.00313914/step Wall: 6625.25, 0.00313914/step, 2.51114 hours remaining, 235.082031 MB of memory in use. ENERGY: 2120200 4002.3800 20720.9111 14390.0565 243.8001 -203551.8964 2966.0767 0.0000 0.0000 52020.0497 -109208.6224 298.9599 -161228.6721 -108834.5883 299.5573 -147.2740 -125.2274 764155.7896 -8.9757 -9.0487 LDB: ============= START OF LOAD BALANCING ============== 6637.73 LDB: ============== END OF LOAD BALANCING =============== 6637.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6637.73 LDB: ============= START OF LOAD BALANCING ============== 6638.05 LDB: Largest compute 7058 load 0.029377 is 15.1% of average load 0.195075 LDB: Average compute 0.004388 is 2.2% of average load 0.195075 LDB: TIME 6638.05 LOAD: AVG 0.195075 MAX 0.21385 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.742 MB LDB: TIME 6638.05 LOAD: AVG 0.195075 MAX 0.21385 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.836 MB LDB: TIME 6638.05 LOAD: AVG 0.195075 MAX 0.21385 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.836 MB LDB: ============== END OF LOAD BALANCING =============== 6638.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6638.06 PRESSURE: 2120400 -31.9435 182.009 -28.5653 182.009 135.753 149.737 -28.5664 149.736 226.147 GPRESSURE: 2120400 45.4518 135.623 100.335 164.848 147.67 116.502 -104.632 67.4631 206.624 PRESSAVG: 2120400 -19.7506 30.6885 7.05792 30.6885 66.626 17.0935 7.0579 17.0935 -1.6255 GPRESSAVG: 2120400 -20.1355 31.6373 7.76403 29.3542 67.1953 17.3511 4.93122 16.0031 -1.57686 TIMING: 2120400 CPU: 6625.89, 0.0032017/step Wall: 6625.89, 0.0032017/step, 2.56101 hours remaining, 233.742188 MB of memory in use. ENERGY: 2120400 4102.3105 20719.5044 14364.1331 227.3868 -203435.4435 2833.7901 0.0000 0.0000 52372.0304 -108816.2881 300.9828 -161188.3186 -108463.7153 299.9732 109.9856 133.2485 762771.1166 15.0833 15.1610 PRESSURE: 2120600 -14.0002 254.043 103.54 254.043 -3.85029 116.465 103.541 116.464 -80.7951 GPRESSURE: 2120600 1.19072 138.973 127.354 184.774 29.4269 17.2722 216.54 96.0941 -64.0381 PRESSAVG: 2120600 -39.5038 58.0121 20.8573 58.0121 28.2376 61.4632 20.8573 61.4631 3.80917 GPRESSAVG: 2120600 -40.0766 59.4646 19.8911 55.6803 29.1249 60.3135 25.8134 61.8271 3.78429 TIMING: 2120600 CPU: 6626.52, 0.00311648/step Wall: 6626.52, 0.00311648/step, 2.49266 hours remaining, 233.945312 MB of memory in use. ENERGY: 2120600 4043.0597 20671.3483 14489.7567 275.6488 -203559.1744 2801.4239 0.0000 0.0000 52445.1026 -108832.8345 301.4027 -161277.9371 -108463.5643 300.6348 -32.8819 -11.1402 761171.5262 -2.4857 -2.3891 PRESSURE: 2120800 -115.603 -77.4369 -211.381 -77.4369 75.2328 167.685 -211.382 167.685 -142.333 GPRESSURE: 2120800 -64.472 29.5499 -228.146 -33.5672 137.929 149.191 -120.184 222.948 -171.206 PRESSAVG: 2120800 -51.6105 30.6502 25.421 30.6502 -1.33199 72.1574 25.421 72.1573 -18.9049 GPRESSAVG: 2120800 -51.6458 30.3564 25.4081 34.1588 -1.8098 72.7133 23.7118 70.86 -18.4806 TIMING: 2120800 CPU: 6627.14, 0.00311586/step Wall: 6627.14, 0.00311586/step, 2.49199 hours remaining, 233.945312 MB of memory in use. ENERGY: 2120800 3932.0652 20580.1918 14543.5999 237.4816 -203133.2805 2524.7120 0.0000 0.0000 52316.6100 -108998.6201 300.6643 -161315.2300 -108619.8116 300.6114 -60.9009 -32.5828 763168.9392 -23.9491 -23.9787 PRESSURE: 2121000 -128.027 -133.094 -36.1695 -133.096 -200.191 -54.0626 -36.1693 -54.0632 -20.4611 GPRESSURE: 2121000 -41.0584 -46.7068 -111.566 -163.379 -252.812 3.77541 -20.344 -0.476674 2.98175 PRESSAVG: 2121000 -10.0992 27.4461 -13.488 27.446 -15.9711 64.7821 -13.4881 64.7821 7.29498 GPRESSAVG: 2121000 -8.46135 26.6633 -14.4179 28.3853 -16.6747 64.636 -12.2721 65.7818 6.33257 TIMING: 2121000 CPU: 6627.76, 0.00311127/step Wall: 6627.76, 0.00311127/step, 2.48815 hours remaining, 233.945312 MB of memory in use. ENERGY: 2121000 4015.1242 20658.4570 14470.7390 268.2289 -203299.7327 2692.5819 0.0000 0.0000 52159.3479 -109035.2538 299.7605 -161194.6017 -108666.7770 300.2806 -116.2264 -96.9630 763195.0083 -6.2584 -6.2678 PRESSURE: 2121200 -147.166 48.5695 -229.61 48.5698 -27.3307 -166.175 -229.611 -166.174 66.5735 GPRESSURE: 2121200 -137.121 -50.2466 -286.897 23.3303 50.6941 -113.372 -209.407 -193.067 54.7697 PRESSAVG: 2121200 40.9368 33.4057 -11.243 33.4057 8.92519 43.4733 -11.243 43.4734 8.10672 GPRESSAVG: 2121200 39.3135 33.4304 -9.31005 33.1732 9.48315 42.7991 -12.8736 45.1897 9.71582 TIMING: 2121200 CPU: 6628.38, 0.00310136/step Wall: 6628.38, 0.00310136/step, 2.48005 hours remaining, 233.945312 MB of memory in use. ENERGY: 2121200 3945.7597 20595.7319 14566.1216 236.5334 -203452.3314 2740.2967 0.0000 0.0000 52249.2131 -109118.6751 300.2769 -161367.8882 -108746.5799 300.0311 -35.9744 -10.5524 761758.3635 19.3229 19.5042 PRESSURE: 2121400 51.345 -77.8999 202.919 -77.9007 208.419 -115.985 202.919 -115.986 166.647 GPRESSURE: 2121400 47.7331 -167.589 138.457 -48.8133 284.198 -71.7868 209.686 -48.3333 188 PRESSAVG: 2121400 0.632984 -1.04669 -15.5935 -1.04677 -13.8088 11.4567 -15.5935 11.4567 22.3038 GPRESSAVG: 2121400 1.57315 -1.62079 -18.0263 1.0669 -14.1308 9.79429 -15.9653 10.7793 21.7532 TIMING: 2121400 CPU: 6629.01, 0.00312125/step Wall: 6629.01, 0.00312125/step, 2.49578 hours remaining, 233.945312 MB of memory in use. ENERGY: 2121400 4059.1865 20571.4316 14542.5332 223.4056 -203683.0487 2958.6043 0.0000 0.0000 52140.5354 -109187.3521 299.6524 -161327.8875 -108831.3031 299.5052 142.1369 173.3105 762866.9937 3.0426 3.0652 PRESSURE: 2121600 -405.356 165.928 41.4505 165.928 192.516 -34.395 41.4505 -34.3938 59.6578 GPRESSURE: 2121600 -360.245 147.661 -82.1846 101.826 224.343 -46.0657 110.521 29.7527 88.0851 PRESSAVG: 2121600 -33.4499 23.3125 25.5614 23.3125 39.19 4.05448 25.5614 4.05451 5.41869 GPRESSAVG: 2121600 -33.1635 26.0851 27.2424 19.8818 38.0806 6.82046 25.4589 2.96859 6.58353 TIMING: 2121600 CPU: 6629.63, 0.00312705/step Wall: 6629.63, 0.00312705/step, 2.50025 hours remaining, 233.945312 MB of memory in use. ENERGY: 2121600 3985.6101 20774.0013 14410.4026 232.7259 -203249.2876 2744.4228 0.0000 0.0000 51842.1620 -109259.9630 297.9376 -161102.1250 -108901.6662 299.6397 -51.0605 -15.9389 762999.8885 3.7196 3.8335 PRESSURE: 2121800 -168.538 34.1437 155.918 34.1438 92.8453 57.0113 155.919 57.0107 298.302 GPRESSURE: 2121800 -47.7952 42.8012 134.528 61.8981 159.694 20.8342 96.9509 81.1984 202.017 PRESSAVG: 2121800 -39.2927 1.03763 -0.371763 1.03761 43.6562 36.7498 -0.371786 36.7498 7.64349 GPRESSAVG: 2121800 -39.0083 -0.145853 -1.73165 2.41366 43.9037 37.3051 0.368694 33.7631 7.2572 TIMING: 2121800 CPU: 6630.25, 0.00311816/step Wall: 6630.25, 0.00311816/step, 2.49297 hours remaining, 233.945312 MB of memory in use. ENERGY: 2121800 3891.0973 20447.1886 14498.4032 263.1244 -203838.2589 3016.9074 0.0000 0.0000 52256.5694 -109464.9686 300.3192 -161721.5380 -109087.2632 299.2315 74.2030 104.6386 761298.3185 4.0023 4.0509 PRESSURE: 2122000 -87.6748 291.077 136.153 291.077 -91.1498 129.809 136.152 129.809 61.976 GPRESSURE: 2122000 -77.4566 213.123 132.387 306.271 -75.9112 119.092 121.692 144.321 98.2411 PRESSAVG: 2122000 -66.3269 4.44353 -42.7109 4.44349 92.2532 -26.6132 -42.7108 -26.6131 -17.9054 GPRESSAVG: 2122000 -66.0303 6.66516 -42.7128 3.57527 91.8698 -27.1264 -41.4995 -25.9693 -17.8096 TIMING: 2122000 CPU: 6630.88, 0.00312645/step Wall: 6630.88, 0.00312645/step, 2.49943 hours remaining, 233.945312 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: 2122000 3961.7977 20532.5084 14437.9276 245.7041 -203402.5999 2636.6190 0.0000 0.0000 52156.1919 -109431.8514 299.7424 -161588.0433 -109067.3113 298.5365 -38.9495 -18.3756 762013.7491 2.6736 2.6767 PRESSURE: 2122200 -226.073 -106.406 -296.318 -106.405 -230.421 -14.7663 -296.319 -14.7663 150.083 GPRESSURE: 2122200 -172.238 -85.1025 -307.802 -159.61 -188.397 -32.0777 -288.97 18.0683 141.061 PRESSAVG: 2122200 -38.4786 63.2481 1.12015 63.2481 11.421 28.6436 1.12018 28.6435 -8.63896 GPRESSAVG: 2122200 -38.7997 59.572 1.04187 63.5523 11.9832 28.2778 -0.447368 33.5734 -9.00003 TIMING: 2122200 CPU: 6631.5, 0.0031239/step Wall: 6631.5, 0.0031239/step, 2.49721 hours remaining, 233.945312 MB of memory in use. ENERGY: 2122200 4002.0122 20521.8062 14475.6746 253.7699 -203422.2037 2793.6621 0.0000 0.0000 52163.1783 -109212.1005 299.7825 -161375.2787 -108854.1986 298.8233 -102.1369 -73.1913 761434.4694 -11.8988 -11.9388 PRESSURE: 2122400 324.502 55.4073 -113.063 55.4071 -135.25 143.39 -113.063 143.391 135.001 GPRESSURE: 2122400 349.935 118.797 -187.556 16.9408 -116.432 222.584 51.99 175.877 152.33 PRESSAVG: 2122400 -29.8454 35.9735 -66.2747 35.9735 -33.4689 18.7281 -66.2747 18.728 -18.519 GPRESSAVG: 2122400 -29.3872 36.7021 -65.6932 35.7264 -33.6638 20.0911 -64.498 16.688 -19.0992 TIMING: 2122400 CPU: 6632.13, 0.00311882/step Wall: 6632.13, 0.00311882/step, 2.49298 hours remaining, 233.945312 MB of memory in use. ENERGY: 2122400 3988.0571 20658.5966 14504.4065 265.7938 -203490.2332 2789.1022 0.0000 0.0000 51756.0229 -109528.2540 297.4426 -161284.2769 -109174.3319 298.3307 108.0840 128.6111 761676.1704 -27.2777 -27.3834 PRESSURE: 2122600 -297.702 90.4766 -93.9579 90.4774 -124.696 -126.028 -93.958 -126.029 -192.591 GPRESSURE: 2122600 -225.515 46.7062 -128.148 23.2465 -113.281 -153.601 -114.836 -130.536 -176.738 PRESSAVG: 2122600 24.8897 49.385 -1.32019 49.3851 0.876207 -50.9935 -1.32019 -50.9935 8.37502 GPRESSAVG: 2122600 23.6654 50.9128 1.01403 49.6495 1.89956 -51.5027 -4.41686 -52.9329 9.17526 TIMING: 2122600 CPU: 6632.75, 0.00310807/step Wall: 6632.75, 0.00310807/step, 2.48421 hours remaining, 233.945312 MB of memory in use. ENERGY: 2122600 3975.5647 20449.5926 14528.0194 255.4334 -203484.1943 2831.8061 0.0000 0.0000 51857.8077 -109585.9704 298.0275 -161443.7781 -109216.5952 297.9859 -204.9966 -171.8447 761062.9110 11.3803 11.5801 PRESSURE: 2122800 -464.429 228.417 -43.1213 228.417 309.037 -57.4519 -43.1215 -57.451 583.435 GPRESSURE: 2122800 -324.021 146.434 -54.7557 234.113 336.75 -38.3631 -27.3047 55.9852 500.34 PRESSAVG: 2122800 16.2874 -5.64159 5.6805 -5.64159 16.7916 14.8336 5.68048 14.8337 9.73682 GPRESSAVG: 2122800 16.2966 -7.92618 4.20036 -5.70545 16.5616 14.1209 4.27231 16.4928 9.29614 TIMING: 2122800 CPU: 6633.37, 0.00310937/step Wall: 6633.37, 0.00310937/step, 2.48508 hours remaining, 233.945312 MB of memory in use. ENERGY: 2122800 3963.3890 20716.3044 14473.2215 275.2759 -204031.6588 3020.9100 0.0000 0.0000 52206.7101 -109375.8479 300.0327 -161582.5580 -109016.1561 298.5388 142.6810 171.0230 760563.8938 14.2719 14.0514 PRESSURE: 2123000 97.9596 162.952 245.429 162.951 -294.969 -47.2369 245.429 -47.2367 -379.16 GPRESSURE: 2123000 67.9373 134.71 174.12 119.902 -210.369 76.9893 128.338 -69.5196 -371.355 PRESSAVG: 2123000 -0.497914 33.8739 -23.5495 33.8738 8.81305 -24.0535 -23.5495 -24.0535 -13.0261 GPRESSAVG: 2123000 0.0477369 34.2663 -22.9024 32.2212 6.56516 -22.6831 -20.3243 -23.256 -10.9178 TIMING: 2123000 CPU: 6633.99, 0.00309682/step Wall: 6633.99, 0.00309682/step, 2.47487 hours remaining, 233.945312 MB of memory in use. ENERGY: 2123000 4006.0278 20471.3037 14520.7186 239.4042 -203377.5336 2845.7086 0.0000 0.0000 51962.7790 -109331.5918 298.6308 -161294.3707 -108979.8408 298.7387 -192.0565 -171.2620 761354.0204 -1.5703 -1.4350 PRESSURE: 2123200 56.2248 243.348 -218.355 243.349 -282.992 -30.0305 -218.355 -30.0305 27.7625 GPRESSURE: 2123200 69.949 288.682 -195.878 212.601 -203.07 -137.692 -179.608 -62.3948 31.134 PRESSAVG: 2123200 28.2119 35.603 5.37623 35.6029 -19.7332 -13.5002 5.37625 -13.5002 12.8194 GPRESSAVG: 2123200 28.1982 36.0563 4.8759 35.7638 -17.4924 -13.8711 4.63084 -15.0003 10.4122 TIMING: 2123200 CPU: 6634.61, 0.00311239/step Wall: 6634.61, 0.00311239/step, 2.48715 hours remaining, 233.945312 MB of memory in use. ENERGY: 2123200 3969.5493 20541.0989 14529.9188 232.5141 -203219.3983 2583.7749 0.0000 0.0000 52053.0367 -109309.5055 299.1495 -161362.5423 -108945.0749 298.5393 -66.3347 -33.9957 763596.2915 7.0993 7.0393 PRESSURE: 2123400 -101.038 -81.4982 -97.0636 -81.498 132.188 173.556 -97.0636 173.556 107.967 GPRESSURE: 2123400 8.94992 43.2107 -6.09525 -105.314 137.079 182.69 40.3321 -85.6353 89.3588 PRESSAVG: 2123400 7.91754 -10.9719 -1.06983 -10.9719 5.2151 7.06618 -1.06981 7.06617 1.1937 GPRESSAVG: 2123400 8.19248 -8.16534 -0.397066 -10.6255 5.11623 7.08359 -2.17692 4.39086 1.04417 TIMING: 2123400 CPU: 6635.24, 0.00311127/step Wall: 6635.24, 0.00311127/step, 2.48607 hours remaining, 233.945312 MB of memory in use. ENERGY: 2123400 3946.0639 20436.3225 14519.4763 238.0305 -202923.4710 2661.8416 0.0000 0.0000 51966.6388 -109155.0974 298.6530 -161121.7362 -108786.6643 298.3710 46.3726 78.4626 764483.0016 4.7754 4.7843 PRESSURE: 2123600 67.2234 -61.896 39.8796 -61.8958 586.557 -145.329 39.8795 -145.329 127.068 GPRESSURE: 2123600 164.191 -95.3393 44.2257 -36.2899 599.475 -185.519 -44.1884 -124.409 102.016 PRESSAVG: 2123600 -14.8173 -3.89925 38.9381 -3.89921 -10.3101 26.5384 38.9381 26.5384 -8.20657 GPRESSAVG: 2123600 -14.7416 -5.80639 36.1388 -3.97618 -11.8323 23.6727 40.1713 27.4422 -6.77197 TIMING: 2123600 CPU: 6635.85, 0.0030869/step Wall: 6635.85, 0.0030869/step, 2.46643 hours remaining, 233.945312 MB of memory in use. ENERGY: 2123600 3951.8238 20488.4671 14500.2414 247.2986 -203082.7446 2815.4044 0.0000 0.0000 52143.7568 -108935.7525 299.6709 -161079.5093 -108580.3591 299.1788 260.2825 288.5607 761711.1572 -11.1113 -11.1153 PRESSURE: 2123800 534.293 -116.075 -90.1207 -116.075 383.289 -129.98 -90.1207 -129.98 409.718 GPRESSURE: 2123800 504.666 -149.818 -142.816 -54.8047 409.793 -91.1277 -78.3379 -138.857 495.666 PRESSAVG: 2123800 -46.9406 -13.1181 13.1818 -13.1181 -13.115 2.90494 13.1817 2.90496 11.6948 GPRESSAVG: 2123800 -47.1958 -13.0661 15.1875 -13.3546 -12.6243 6.743 11.9835 4.40567 11.2182 TIMING: 2123800 CPU: 6636.47, 0.00310484/step Wall: 6636.47, 0.00310484/step, 2.4806 hours remaining, 233.945312 MB of memory in use. ENERGY: 2123800 3947.1383 20657.0124 14509.0173 245.2582 -203478.8502 2911.2893 0.0000 0.0000 52203.7078 -109005.4269 300.0154 -161209.1347 -108637.6797 299.6788 442.4333 470.0418 761203.6836 -16.1203 -16.2006 PRESSURE: 2124000 -9.4295 -277.595 -269.738 -277.596 -22.2613 -0.194937 -269.738 -0.195527 322.643 GPRESSURE: 2124000 0.315266 -238.794 -274.437 -209.902 86.3077 -84.5257 -265.98 -53.6466 278.167 PRESSAVG: 2124000 14.3975 28.5722 9.89045 28.5722 -0.989213 -45.7688 9.89045 -45.7688 39.1859 GPRESSAVG: 2124000 14.6652 29.9962 9.99583 29.739 -0.799185 -47.9157 9.8157 -45.3805 38.7585 TIMING: 2124000 CPU: 6637.1, 0.00311325/step Wall: 6637.1, 0.00311325/step, 2.48714 hours remaining, 233.945312 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: 2124000 3986.7603 20591.3295 14443.1155 238.2892 -203641.1206 2951.9214 0.0000 0.0000 52351.6619 -109078.0429 300.8657 -161429.7048 -108725.0333 299.4622 96.9840 121.5966 762192.3802 17.5314 17.5415 PRESSURE: 2124200 21.4729 12.7856 164.213 12.7851 294.933 -61.1259 164.213 -61.1266 -442.624 GPRESSURE: 2124200 16.5574 44.4144 89.163 33.0107 321.631 -25.5322 77.2178 -44.5653 -384.763 PRESSAVG: 2124200 -13.8995 -26.517 14.556 -26.517 66.8532 -7.24861 14.5561 -7.24861 -27.7782 GPRESSAVG: 2124200 -14.0553 -27.3202 14.6163 -26.4324 67.7685 -7.15159 16.6472 -6.16409 -28.3916 TIMING: 2124200 CPU: 6637.72, 0.00310772/step Wall: 6637.72, 0.00310772/step, 2.48255 hours remaining, 233.945312 MB of memory in use. ENERGY: 2124200 3945.4526 20664.1460 14495.6143 242.9608 -203106.7314 2761.2546 0.0000 0.0000 52068.3629 -108928.9402 299.2376 -160997.3031 -108578.8616 299.3930 -42.0727 -15.5249 760995.8595 8.3918 8.4405 LDB: ============= START OF LOAD BALANCING ============== 6650.2 LDB: ============== END OF LOAD BALANCING =============== 6650.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6650.2 LDB: ============= START OF LOAD BALANCING ============== 6650.51 LDB: Largest compute 7058 load 0.031162 is 16.0% of average load 0.195063 LDB: Average compute 0.004418 is 2.3% of average load 0.195063 LDB: TIME 6650.51 LOAD: AVG 0.195063 MAX 0.215368 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.766 MB LDB: TIME 6650.51 LOAD: AVG 0.195063 MAX 0.215368 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.766 MB LDB: TIME 6650.51 LOAD: AVG 0.195063 MAX 0.215368 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.766 MB LDB: ============== END OF LOAD BALANCING =============== 6650.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6650.52 PRESSURE: 2124400 -452.782 49.8875 -156.974 49.8886 -240.558 -190.595 -156.974 -190.594 -266.529 GPRESSURE: 2124400 -282.938 9.89156 -212.071 60.7308 -276.403 -235.978 -110.196 -110.28 -321.57 PRESSAVG: 2124400 10.9355 13.746 -45.7151 13.7459 -0.350361 -48.9963 -45.7151 -48.9962 -5.6218 GPRESSAVG: 2124400 10.6153 14.3782 -47.1008 11.9001 -0.486688 -48.0911 -47.5029 -49.8111 -5.05398 TIMING: 2124400 CPU: 6638.35, 0.00316848/step Wall: 6638.35, 0.00316848/step, 2.53091 hours remaining, 233.265625 MB of memory in use. ENERGY: 2124400 4011.1798 20559.8520 14498.3313 238.3733 -203074.1925 2459.2191 0.0000 0.0000 52198.3280 -109108.9089 299.9845 -161307.2369 -108734.9859 299.7049 -319.9560 -293.6370 761999.2556 1.6544 1.6916 PRESSURE: 2124600 -89.5224 57.5547 -58.5872 57.5549 93.086 -234.307 -58.5867 -234.308 30.5019 GPRESSURE: 2124600 -33.4099 -67.2505 -0.77924 48.6627 140.967 -111.493 -8.45184 -152.875 19.4355 PRESSAVG: 2124600 31.3168 -19.2127 -42.1513 -19.2128 -66.2536 19.0994 -42.1513 19.0993 30.4789 GPRESSAVG: 2124600 32.3396 -20.7599 -42.1921 -18.3896 -66.7113 17.8565 -40.8999 20.008 29.9033 TIMING: 2124600 CPU: 6638.97, 0.00309755/step Wall: 6638.97, 0.00309755/step, 2.47408 hours remaining, 233.335938 MB of memory in use. ENERGY: 2124600 3922.8655 20498.5435 14456.2414 273.9296 -203062.7085 2763.4119 0.0000 0.0000 52051.9467 -109095.7699 299.1433 -161147.7167 -108734.0561 299.5048 11.3552 42.3308 764020.6867 -1.4859 -1.4895 PRESSURE: 2124800 -197.129 -85.3772 -42.7281 -85.378 266.76 158.362 -42.7275 158.361 -116.782 GPRESSURE: 2124800 -129.237 1.12469 -63.179 42.4824 222.658 84.0869 -50.1766 185.228 -66.736 PRESSAVG: 2124800 -13.3662 -20.8415 -16.8084 -20.8415 13.5199 17.4996 -16.8085 17.4996 -10.5909 GPRESSAVG: 2124800 -13.8423 -18.8698 -16.3427 -21.248 14.3624 17.9019 -16.563 18.0434 -10.7567 TIMING: 2124800 CPU: 6639.59, 0.00308881/step Wall: 6639.59, 0.00308881/step, 2.46693 hours remaining, 233.335938 MB of memory in use. ENERGY: 2124800 4030.7383 20406.8660 14453.3750 249.2892 -203164.5990 2724.8304 0.0000 0.0000 52338.2652 -108961.2350 300.7887 -161299.5002 -108586.6484 299.5548 -15.7171 8.8951 762821.9306 -3.4791 -3.4122 PRESSURE: 2125000 -192.389 -92.0716 201.039 -92.0713 -74.1039 -105.089 201.039 -105.089 205.92 GPRESSURE: 2125000 -181.136 -12.7898 206.006 73.7272 43.4784 -100.814 87.3158 -46.426 139.7 PRESSAVG: 2125000 -20.0696 -2.98332 -32.3325 -2.98324 8.23774 46.6472 -32.3325 46.6472 45.3601 GPRESSAVG: 2125000 -20.7352 -1.97261 -31.9885 -2.88407 8.42187 46.8658 -31.8118 44.4365 45.905 TIMING: 2125000 CPU: 6640.21, 0.0031009/step Wall: 6640.21, 0.0031009/step, 2.47641 hours remaining, 233.335938 MB of memory in use. ENERGY: 2125000 4027.8851 20552.7703 14516.5517 249.0493 -203090.5953 2698.2638 0.0000 0.0000 52133.3056 -108912.7696 299.6108 -161046.0751 -108545.8933 299.6121 -20.1909 0.6807 762463.7312 11.1761 11.1972 PRESSURE: 2125200 104.972 74.9383 -246.931 74.9379 303.49 -94.0283 -246.93 -94.0277 -52.1544 GPRESSURE: 2125200 165.755 29.0786 -320.686 -4.45085 283.866 -80.0767 -156.679 -57.5959 -9.14016 PRESSAVG: 2125200 -6.37803 -32.9838 -24.209 -32.9838 5.36566 -27.7462 -24.2089 -27.7462 -8.5723 GPRESSAVG: 2125200 -6.42724 -35.9299 -23.6159 -30.8905 4.42638 -28.1859 -24.3067 -25.8184 -7.8794 TIMING: 2125200 CPU: 6640.83, 0.00311618/step Wall: 6640.83, 0.00311618/step, 2.48844 hours remaining, 233.335938 MB of memory in use. ENERGY: 2125200 3947.9485 20571.6211 14546.4594 235.8487 -203363.1568 2968.2757 0.0000 0.0000 52157.5943 -108935.4090 299.7504 -161093.0033 -108563.0107 299.7800 118.7690 146.8269 762740.8146 -3.1949 -3.2934 PRESSURE: 2125400 168.13 -184.638 -118.809 -184.638 306.333 -70.04 -118.809 -70.0392 180.87 GPRESSURE: 2125400 216.364 -121.102 -108.285 -43.6936 273.78 30.4018 -59.0958 -119.446 239.483 PRESSAVG: 2125400 8.57867 -9.49864 -19.1781 -9.49862 -0.461667 -6.94398 -19.1781 -6.94396 41.5199 GPRESSAVG: 2125400 8.96743 -8.32416 -19.3926 -11.4817 -1.73294 -5.53153 -18.7899 -8.73063 42.7514 TIMING: 2125400 CPU: 6641.45, 0.00309426/step Wall: 6641.45, 0.00309426/step, 2.47076 hours remaining, 233.335938 MB of memory in use. ENERGY: 2125400 3967.3695 20521.4641 14564.5562 247.7785 -203423.7753 3124.8417 0.0000 0.0000 52037.7550 -108960.0103 299.0617 -160997.7653 -108602.2719 299.2669 218.4443 243.2092 763734.0183 16.5456 16.6620 PRESSURE: 2125600 166.848 -12.0594 120.117 -12.0588 -7.99894 64.9731 120.116 64.9718 -195.189 GPRESSURE: 2125600 180.854 -90.3775 66.0504 40.6187 -53.707 50.4582 153.616 112.035 -79.4749 PRESSAVG: 2125600 20.0392 -68.6893 41.4935 -68.6893 4.84886 -7.3443 41.4935 -7.34435 -13.1012 GPRESSAVG: 2125600 20.3164 -69.6102 41.5226 -68.1416 6.7157 -9.33169 40.6873 -6.57384 -15.7204 TIMING: 2125600 CPU: 6642.07, 0.00310316/step Wall: 6642.07, 0.00310316/step, 2.4777 hours remaining, 233.335938 MB of memory in use. ENERGY: 2125600 4019.7335 20369.1109 14495.2064 252.0932 -203295.4412 2944.1535 0.0000 0.0000 52062.6734 -109152.4704 299.2049 -161215.1438 -108784.6495 299.3173 -12.1136 15.8907 765172.6899 3.9289 3.7706 PRESSURE: 2125800 257.428 183.917 110.788 183.916 84.7752 -17.4305 110.787 -17.4302 -83.0181 GPRESSURE: 2125800 290.944 123.214 115.137 121.211 106.851 -92.9123 -39.003 -1.49504 -34.0749 PRESSAVG: 2125800 -1.36256 -54.9682 -23.2886 -54.9682 3.0492 -15.6816 -23.2886 -15.6816 29.9149 GPRESSAVG: 2125800 -1.98445 -53.7742 -24.4644 -54.1206 2.16401 -13.593 -24.9465 -15.7088 31.3463 TIMING: 2125800 CPU: 6642.7, 0.00312091/step Wall: 6642.7, 0.00312091/step, 2.4917 hours remaining, 233.335938 MB of memory in use. ENERGY: 2125800 3952.6670 20440.9270 14487.9392 244.0525 -203538.5516 2894.0212 0.0000 0.0000 52269.5022 -109249.4424 300.3935 -161518.9446 -108883.6562 298.9937 86.3950 121.2401 762441.5569 10.5339 10.5086 PRESSURE: 2126000 -10.9912 120.466 108.418 120.465 376.222 66.6388 108.418 66.6379 -94.7839 GPRESSURE: 2126000 38.2902 -4.68152 193.494 213.013 333.794 56.1748 115.725 104.488 -20.7324 PRESSAVG: 2126000 1.38984 25.7984 -24.7697 25.7984 -43.9268 -41.1163 -24.7697 -41.1164 13.3798 GPRESSAVG: 2126000 2.78475 24.408 -24.7425 23.7966 -45.533 -42.5199 -22.2491 -41.3786 13.9634 TIMING: 2126000 CPU: 6643.32, 0.00310473/step Wall: 6643.32, 0.00310473/step, 2.47861 hours remaining, 233.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2126000 4018.7205 20566.2776 14513.0881 240.9674 -203459.4518 2996.4675 0.0000 0.0000 52097.2952 -109026.6354 299.4039 -161123.9306 -108672.3181 299.1476 90.1490 117.1172 762535.3760 -9.7191 -9.5950 PRESSURE: 2126200 -353.169 -34.4954 11.8559 -34.4949 144.159 -80.037 11.8558 -80.0366 296.597 GPRESSURE: 2126200 -305.329 -45.4018 48.8825 -22.5397 203.676 -98.3065 -55.867 40.9542 266.745 PRESSAVG: 2126200 -65.2289 16.4829 18.7901 16.4829 60.1001 -28.5441 18.7901 -28.544 -0.624196 GPRESSAVG: 2126200 -67.0229 17.006 18.8485 18.3795 61.4973 -28.0505 18.6854 -28.0015 -0.64124 TIMING: 2126200 CPU: 6643.94, 0.00312392/step Wall: 6643.94, 0.00312392/step, 2.49376 hours remaining, 233.335938 MB of memory in use. ENERGY: 2126200 3953.5323 20514.4918 14445.0376 237.4988 -202798.2162 2447.7477 0.0000 0.0000 52051.6421 -109148.2660 299.1415 -161199.9081 -108774.7159 299.2450 29.1959 55.0306 762938.2676 -1.9177 -2.0556 PRESSURE: 2126400 -3.57134 167.237 -152.096 167.237 -250.264 3.99248 -152.096 3.99214 384.917 GPRESSURE: 2126400 -28.462 326.084 -82.1244 188.633 -75.3492 -5.40754 -148.443 -20.3001 311.263 PRESSAVG: 2126400 -56.0345 36.2736 11.2815 36.2737 36.5842 22.2611 11.2815 22.2611 11.1247 GPRESSAVG: 2126400 -54.7026 35.849 12.9472 37.111 36.7121 20.9173 11.3422 21.3897 9.67591 TIMING: 2126400 CPU: 6644.56, 0.0031113/step Wall: 6644.56, 0.00311129/step, 2.4835 hours remaining, 233.335938 MB of memory in use. ENERGY: 2126400 4067.2146 20306.2926 14487.4687 243.5009 -203087.7271 2575.8425 0.0000 0.0000 52147.5671 -109259.8408 299.6928 -161407.4079 -108896.2475 298.9059 43.6936 69.1507 761840.4292 -2.7752 -2.7715 PRESSURE: 2126600 -107.913 26.5657 96.6572 26.5659 -7.17717 170.275 96.6576 170.274 294.274 GPRESSURE: 2126600 -118.363 4.53459 9.02717 8.19405 104.055 19.0541 196.105 175.398 277.48 PRESSAVG: 2126600 2.54735 -16.1383 27.9964 -16.1383 4.90552 7.60223 27.9965 7.60226 -12.3221 GPRESSAVG: 2126600 0.369022 -16.2253 28.7603 -16.5695 5.80516 8.41454 26.8555 4.24222 -11.3644 TIMING: 2126600 CPU: 6645.19, 0.00310738/step Wall: 6645.19, 0.00310738/step, 2.48021 hours remaining, 233.335938 MB of memory in use. ENERGY: 2126600 3926.7925 20603.6668 14524.7647 261.4742 -203438.0484 2737.2167 0.0000 0.0000 51892.0947 -109492.0388 298.2246 -161384.1335 -109134.1226 298.7990 59.7280 87.7240 763103.4077 -1.6231 -1.7301 PRESSURE: 2126800 120.384 -43.97 8.05156 -43.9705 298.643 48.5605 8.0517 48.561 142.494 GPRESSURE: 2126800 154.155 62.576 80.8674 123.712 374.964 33.8346 -46.8016 20.549 147.949 PRESSAVG: 2126800 -13.6804 33.5237 84.615 33.5236 12.7225 1.41116 84.615 1.41117 18.6861 GPRESSAVG: 2126800 -11.8671 35.4516 84.1361 32.1657 10.1295 0.904923 83.3536 6.86363 19.3373 TIMING: 2126800 CPU: 6645.81, 0.00310934/step Wall: 6645.81, 0.00310934/step, 2.4816 hours remaining, 233.335938 MB of memory in use. ENERGY: 2126800 3958.9420 20413.2737 14503.7461 257.7221 -203138.3727 2692.5473 0.0000 0.0000 51850.7223 -109461.4193 297.9868 -161312.1416 -109102.9079 298.5300 187.1734 225.6893 762531.8226 5.9094 5.8666 PRESSURE: 2127000 -186.108 -82.1787 -83.1393 -82.1792 -85.7793 33.2341 -83.1394 33.2357 -211.495 GPRESSURE: 2127000 -203.606 -2.21421 -0.556983 -87.5507 44.0872 109.311 -103.112 -54.1168 -221.224 PRESSAVG: 2127000 40.9681 -39.7674 34.3704 -39.7674 -43.4701 2.7555 34.3704 2.75558 5.72024 GPRESSAVG: 2127000 39.3015 -39.4492 32.0054 -39.5167 -41.6137 3.26647 37.2745 0.73179 5.64968 TIMING: 2127000 CPU: 6646.43, 0.00312861/step Wall: 6646.43, 0.00312861/step, 2.4968 hours remaining, 233.335938 MB of memory in use. ENERGY: 2127000 3949.6122 20514.0845 14501.3365 245.6016 -203455.5333 2626.8567 0.0000 0.0000 52170.6387 -109447.4031 299.8254 -161618.0418 -109071.9981 298.8425 -161.1276 -126.9143 763431.9957 1.0728 1.1125 PRESSURE: 2127200 -133.368 99.0453 136.837 99.0455 7.86489 -62.9987 136.836 -62.9984 263.488 GPRESSURE: 2127200 -12.5736 42.6416 158.141 -3.3108 -3.07796 -79.8859 166.69 1.30017 243.685 PRESSAVG: 2127200 13.6966 -16.6851 18.0317 -16.6851 -25.0778 7.72877 18.0317 7.72882 -5.73307 GPRESSAVG: 2127200 13.9954 -16.5785 18.9126 -19.5673 -25.7683 7.97844 17.826 7.86306 -6.06332 TIMING: 2127200 CPU: 6647.06, 0.00313748/step Wall: 6647.06, 0.00313748/step, 2.50371 hours remaining, 233.335938 MB of memory in use. ENERGY: 2127200 3938.5234 20610.4309 14579.8470 239.8047 -203400.7627 2766.4960 0.0000 0.0000 51844.2519 -109421.4087 297.9496 -161265.6607 -109049.4207 298.5197 45.9950 76.0110 764925.4810 -5.7048 -5.9454 PRESSURE: 2127400 238.651 -163.096 -61.9605 -163.096 88.2325 184.62 -61.961 184.619 -251.382 GPRESSURE: 2127400 205.624 -308.883 -46.9749 3.92699 127.285 203.635 -141.855 178.213 -184.504 PRESSAVG: 2127400 -59.941 -2.86221 78.953 -2.86219 37.9178 -17.1856 78.9529 -17.1856 -4.96454 GPRESSAVG: 2127400 -58.7571 -5.56966 79.3361 0.161329 36.8673 -17.1606 77.9189 -17.2808 -5.39951 TIMING: 2127400 CPU: 6647.69, 0.00312728/step Wall: 6647.69, 0.00312728/step, 2.49539 hours remaining, 233.335938 MB of memory in use. ENERGY: 2127400 3990.6215 20628.3677 14503.8686 239.3243 -203702.2766 2998.9909 0.0000 0.0000 52118.8397 -109222.2641 299.5277 -161341.1037 -108862.5664 299.1506 25.1673 49.4684 763343.7078 -8.9959 -9.0965 PRESSURE: 2127600 -97.2374 81.1007 102.589 81.1013 49.9108 58.5599 102.588 58.5603 68.3407 GPRESSURE: 2127600 -96.6918 28.46 192.68 31.0042 114.648 -3.7388 -41.0128 57.4732 90.4329 PRESSAVG: 2127600 -17.4984 41.6248 36.8244 41.6248 2.45583 -7.9897 36.8244 -7.98971 5.28412 GPRESSAVG: 2127600 -18.2344 43.7128 37.5685 38.3983 2.76876 -7.5599 37.4119 -8.4604 5.45488 TIMING: 2127600 CPU: 6648.31, 0.00312304/step Wall: 6648.31, 0.00312305/step, 2.49184 hours remaining, 233.335938 MB of memory in use. ENERGY: 2127600 4027.9086 20493.5665 14458.9402 267.7423 -203586.6120 2829.7649 0.0000 0.0000 52070.8684 -109437.8210 299.2520 -161508.6894 -109073.4804 298.7456 7.0047 36.1298 761548.9779 -3.2528 -3.3369 PRESSURE: 2127800 -173.398 -362.49 -30.8968 -362.49 2.93094 -114.98 -30.8966 -114.979 -345.594 GPRESSURE: 2127800 -92.6438 -308.923 -59.53 -398.484 9.38535 -72.3374 54.6758 -24.4615 -343.514 PRESSAVG: 2127800 46.0099 -3.19214 34.6489 -3.19215 -38.9858 -18.8153 34.6489 -18.8153 -9.73661 GPRESSAVG: 2127800 45.2303 -5.10214 33.2594 0.646866 -39.205 -19.9646 35.3759 -16.7647 -8.20936 TIMING: 2127800 CPU: 6648.93, 0.00311689/step Wall: 6648.93, 0.00311689/step, 2.48676 hours remaining, 233.335938 MB of memory in use. ENERGY: 2127800 4015.7416 20584.1193 14481.9575 251.6389 -203708.9815 3010.6720 0.0000 0.0000 52066.8766 -109297.9756 299.2291 -161364.8522 -108936.5168 299.3646 -172.0202 -142.2574 762718.1118 -0.9041 -0.7280 PRESSURE: 2128000 187.219 -185.696 78.414 -185.697 -223.914 99.3984 78.4138 99.3984 97.1081 GPRESSURE: 2128000 134.178 -143.758 65.184 -124.958 -123.268 101.533 -29.2791 22.7583 130.177 PRESSAVG: 2128000 38.3761 -72.4317 -28.3377 -72.4317 -62.6376 -11.0995 -28.3377 -11.0994 10.7401 GPRESSAVG: 2128000 39.6225 -70.4713 -28.0127 -73.9446 -63.1826 -10.29 -29.7038 -10.8784 9.94194 TIMING: 2128000 CPU: 6649.56, 0.00310795/step Wall: 6649.56, 0.00310795/step, 2.47946 hours remaining, 233.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2128000 4013.5154 20630.6612 14451.7329 258.1388 -203609.0646 2986.7822 0.0000 0.0000 51991.7452 -109276.4889 298.7973 -161268.2342 -108907.8345 299.1898 20.1378 47.0293 763067.9688 -4.5071 -4.5394 PRESSURE: 2128200 193.608 -193.255 -98.4371 -193.254 217.523 261.284 -98.4371 261.283 -110.314 GPRESSURE: 2128200 244.119 -83.5519 -93.4299 -163.211 216.316 219.767 -75.9946 248.137 -71.1141 PRESSAVG: 2128200 50.7964 32.3846 4.79131 32.3846 -47.3688 0.14042 4.79129 0.140494 1.98533 GPRESSAVG: 2128200 50.2689 33.1583 5.67894 33.1704 -46.8344 0.653664 7.17497 -1.15265 2.12496 TIMING: 2128200 CPU: 6650.18, 0.00311589/step Wall: 6650.18, 0.00311589/step, 2.48562 hours remaining, 233.335938 MB of memory in use. ENERGY: 2128200 4034.7988 20453.7598 14495.2692 257.9435 -203150.7813 2687.0920 0.0000 0.0000 52051.0367 -109170.8814 299.1380 -161221.9181 -108805.3341 299.2147 100.2722 129.7736 762678.2095 1.8043 1.8532 LDB: ============= START OF LOAD BALANCING ============== 6662.66 LDB: ============== END OF LOAD BALANCING =============== 6662.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6662.66 LDB: ============= START OF LOAD BALANCING ============== 6662.97 LDB: Largest compute 6985 load 0.029011 is 14.9% of average load 0.195074 LDB: Average compute 0.004385 is 2.2% of average load 0.195074 LDB: TIME 6662.97 LOAD: AVG 0.195074 MAX 0.216096 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.621 MB LDB: TIME 6662.97 LOAD: AVG 0.195074 MAX 0.216096 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.824 MB LDB: TIME 6662.97 LOAD: AVG 0.195074 MAX 0.216096 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.824 MB LDB: ============== END OF LOAD BALANCING =============== 6662.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6662.98 PRESSURE: 2128400 -284.655 101.591 37.728 101.591 169.912 -47.2604 37.7288 -47.2605 -162.987 GPRESSURE: 2128400 -221.285 -12.4975 0.0220816 102.218 181.389 -39.0742 12.2112 2.41842 -161.78 PRESSAVG: 2128400 67.1227 -11.1959 12.2853 -11.1959 -23.8002 -36.1898 12.2853 -36.1898 13.1369 GPRESSAVG: 2128400 67.9943 -13.6848 12.8173 -9.30678 -23.5698 -36.9525 7.66577 -36.0586 12.0323 TIMING: 2128400 CPU: 6650.81, 0.00317825/step Wall: 6650.81, 0.00317825/step, 2.53518 hours remaining, 234.878906 MB of memory in use. ENERGY: 2128400 4053.0055 20462.8790 14512.1174 243.4965 -203700.0172 2811.7866 0.0000 0.0000 52426.6250 -109190.1072 301.2965 -161616.7321 -108824.3264 299.3590 -92.5766 -67.2251 762696.1705 18.8198 18.8189 PRESSURE: 2128600 5.84416 -13.2646 -114.407 -13.2654 -253.264 -60.0397 -114.407 -60.0397 98.1232 GPRESSURE: 2128600 45.4443 12.0265 -205.004 -28.1498 -167.296 -79.8593 -81.7369 -171.319 76.7689 PRESSAVG: 2128600 32.2327 31.0371 20.3289 31.0371 -15.6613 4.42432 20.3289 4.42429 3.986 GPRESSAVG: 2128600 31.5068 34.5158 16.2682 28.6521 -14.6525 4.09499 24.7054 4.65642 4.05265 TIMING: 2128600 CPU: 6651.44, 0.003122/step Wall: 6651.44, 0.003122/step, 2.49014 hours remaining, 234.949219 MB of memory in use. ENERGY: 2128600 3935.4673 20451.4334 14416.5001 247.6183 -203156.8643 2669.2550 0.0000 0.0000 52274.7995 -109161.7906 300.4240 -161436.5901 -108795.0181 299.4061 -49.7657 -15.0276 764115.9760 6.8525 6.9690 PRESSURE: 2128800 -29.3354 -53.815 -47.9293 -53.8143 98.0806 -298.43 -47.9296 -298.43 -156.049 GPRESSURE: 2128800 7.42178 74.7045 132.026 -44.0434 150.2 -299.589 -206.697 -194.152 -167.473 PRESSAVG: 2128800 -7.86794 23.8563 -42.6961 23.8563 27.4653 51.7654 -42.6961 51.7654 -0.159791 GPRESSAVG: 2128800 -7.29942 23.0087 -40.6438 23.6564 26.6785 52.7869 -45.4096 51.7102 -0.142576 TIMING: 2128800 CPU: 6652.07, 0.00313026/step Wall: 6652.07, 0.00313026/step, 2.49655 hours remaining, 234.949219 MB of memory in use. ENERGY: 2128800 4020.1168 20475.0772 14444.1028 278.0597 -203453.1238 2927.3557 0.0000 0.0000 51902.8300 -109405.5815 298.2863 -161308.4115 -109047.5340 299.3218 -29.1013 -3.2838 763444.9942 6.4792 6.4122 PRESSURE: 2129000 -144.074 -31.4502 -57.9095 -31.45 14.2832 294.531 -57.9104 294.532 -74.7239 GPRESSURE: 2129000 -68.9506 95.0369 -14.3642 -151.291 31.7962 319.098 32.8735 393.554 -84.387 PRESSAVG: 2129000 7.87879 -28.6909 -44.2357 -28.6909 -13.5125 -17.1393 -44.2357 -17.1393 -4.24998 GPRESSAVG: 2129000 7.71812 -27.7813 -43.9526 -29.6761 -13.6561 -18.7843 -44.2912 -15.3001 -4.00645 TIMING: 2129000 CPU: 6652.69, 0.0031198/step Wall: 6652.69, 0.0031198/step, 2.48804 hours remaining, 234.949219 MB of memory in use. ENERGY: 2129000 4027.6932 20383.1613 14471.1488 240.3686 -203409.1934 2561.3141 0.0000 0.0000 52250.2332 -109475.2743 300.2828 -161725.5075 -109114.1044 298.5390 -68.1716 -40.5138 763348.0841 -3.2946 -3.3148 PRESSURE: 2129200 -159.228 28.2867 -146.654 28.2861 -20.827 -11.4181 -146.653 -11.4183 428.836 GPRESSURE: 2129200 -121.081 33.0222 -145.083 -24.275 76.5489 -82.9855 -112.999 32.7083 371.205 PRESSAVG: 2129200 16.8095 5.25845 20.0452 5.2584 -39.9161 27.7985 20.0452 27.7985 -32.699 GPRESSAVG: 2129200 17.1935 3.98268 21.0574 6.85696 -40.2655 30.0968 21.7865 24.9107 -32.4856 TIMING: 2129200 CPU: 6653.31, 0.00312729/step Wall: 6653.31, 0.00312729/step, 2.49384 hours remaining, 234.949219 MB of memory in use. ENERGY: 2129200 4003.8277 20576.0830 14532.2390 249.1995 -203421.7431 2889.6025 0.0000 0.0000 52095.3624 -109075.4289 299.3928 -161170.7913 -108717.0154 299.1897 82.9268 108.8907 762887.2740 -18.6019 -18.5192 PRESSURE: 2129400 -183.43 -189.718 37.5792 -189.718 171.8 -6.54641 37.5789 -6.54722 393.045 GPRESSURE: 2129400 -82.4188 -229.185 92.9439 -188.944 272.351 57.2267 -107.075 -81.8854 294.585 PRESSAVG: 2129400 -16.7098 -6.47717 0.657849 -6.47716 16.4951 49.9097 0.657816 49.9097 6.04627 GPRESSAVG: 2129400 -17.4122 -7.95425 -0.0162383 -6.75553 18.713 47.2236 -1.00565 50.8138 5.19244 TIMING: 2129400 CPU: 6653.94, 0.00311294/step Wall: 6653.94, 0.00311294/step, 2.48223 hours remaining, 234.949219 MB of memory in use. ENERGY: 2129400 3938.7523 20307.7122 14411.4542 257.0802 -203337.1898 2892.8037 0.0000 0.0000 52296.9066 -109232.4804 300.5510 -161529.3870 -108865.3687 299.6591 127.1384 161.5058 761703.5990 1.9439 2.1644 PRESSURE: 2129600 132.732 176.888 -34.2823 176.887 237.468 92.7433 -34.2825 92.7428 -244.154 GPRESSURE: 2129600 202.904 103.813 -18.6153 69.034 191.675 -68.0705 -9.81832 136.039 -184.993 PRESSAVG: 2129600 -22.9527 -13.6566 17.6809 -13.6565 8.84477 -9.65722 17.681 -9.65729 6.49978 GPRESSAVG: 2129600 -22.7398 -12.6378 19.0831 -13.3852 7.23874 -9.39842 17.5397 -8.2118 7.75387 TIMING: 2129600 CPU: 6654.56, 0.00312472/step Wall: 6654.56, 0.00312472/step, 2.49145 hours remaining, 234.949219 MB of memory in use. ENERGY: 2129600 3915.6123 20394.7971 14479.7228 241.2084 -202922.2771 2594.0173 0.0000 0.0000 52132.7397 -109164.1795 299.6076 -161296.9192 -108790.0576 298.7550 42.0152 69.8619 762465.2545 -2.5360 -2.5824 PRESSURE: 2129800 -362.328 -264.569 -11.8299 -264.569 -142.408 -24.221 -11.8303 -24.2214 -503.335 GPRESSURE: 2129800 -307.87 -197.823 84.11 -238.615 -115.261 -82.8641 -8.58518 -16.9258 -493.159 PRESSAVG: 2129800 -29.7552 -12.3544 -15.7655 -12.3544 4.84952 31.4241 -15.7654 31.4241 -9.87352 GPRESSAVG: 2129800 -29.4669 -13.9458 -17.5842 -10.6686 4.03208 31.7332 -14.9637 29.2834 -8.75841 TIMING: 2129800 CPU: 6655.19, 0.0031274/step Wall: 6655.19, 0.0031274/step, 2.49341 hours remaining, 234.949219 MB of memory in use. ENERGY: 2129800 4058.8259 20487.2367 14478.1557 244.2183 -203000.1065 2637.0593 0.0000 0.0000 51861.9918 -109232.6189 298.0516 -161094.6107 -108874.7082 299.3221 -336.0236 -305.4301 763334.6047 -11.5931 -11.3977 PRESSURE: 2130000 -26.5743 240.508 67.7668 240.509 -1.53701 195.868 67.766 195.868 -68.9511 GPRESSURE: 2130000 -15.6814 243.143 26.4303 233.938 93.8391 198.782 153.014 199.142 -103.651 PRESSAVG: 2130000 -6.87515 45.0604 10.6234 45.0603 -24.0537 68.0932 10.6235 68.0932 3.56622 GPRESSAVG: 2130000 -5.66105 46.7259 11.4155 42.6882 -23.7222 69.3729 11.2892 70.4375 2.36745 TIMING: 2130000 CPU: 6655.81, 0.00312173/step Wall: 6655.81, 0.00312173/step, 2.48871 hours remaining, 234.949219 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: 2130000 3944.5253 20534.5979 14521.9801 241.6609 -203770.6196 2974.8848 0.0000 0.0000 52181.3347 -109371.6359 299.8868 -161552.9707 -109020.8287 298.8780 -32.3541 -8.4977 764070.6862 -9.1209 -9.0053 PRESSURE: 2130200 166.584 -195.263 37.5139 -195.263 -75.4154 98.4723 37.5134 98.4727 -9.00958 GPRESSURE: 2130200 162.145 -164.363 85.798 -43.7784 31.0066 118.658 58.9606 55.2988 -36.2668 PRESSAVG: 2130200 3.25457 -7.18156 32.8101 -7.18151 -22.6048 17.6791 32.8101 17.6791 -10.7061 GPRESSAVG: 2130200 2.65127 -7.45147 33.1659 -3.46248 -22.9092 17.9359 31.0652 17.5173 -9.60098 TIMING: 2130200 CPU: 6656.44, 0.00313876/step Wall: 6656.44, 0.00313876/step, 2.50212 hours remaining, 234.949219 MB of memory in use. ENERGY: 2130200 3981.7021 20407.5862 14491.8727 261.2821 -203471.3660 2822.1834 0.0000 0.0000 52148.3162 -109358.4234 299.6971 -161506.7396 -108983.4962 298.8193 27.3862 52.2949 762112.9655 -10.0188 -9.9530 PRESSURE: 2130400 -2.46487 9.89394 -66.4963 9.89424 -226.308 166.945 -66.4969 166.944 86.8143 GPRESSURE: 2130400 20.4639 -74.3834 1.69108 43.7367 -170.463 106.966 -132.721 183.511 86.0438 PRESSAVG: 2130400 12.9234 27.7996 -34.3595 27.7995 13.2939 3.10889 -34.3595 3.10887 13.4147 GPRESSAVG: 2130400 12.6454 28.3827 -35.7219 25.7203 15.0759 1.68857 -32.2238 2.90917 12.4301 TIMING: 2130400 CPU: 6657.06, 0.00311515/step Wall: 6657.06, 0.00311515/step, 2.48312 hours remaining, 234.949219 MB of memory in use. ENERGY: 2130400 3959.6193 20520.5290 14564.2661 251.7247 -203348.9603 2766.3911 0.0000 0.0000 52048.5854 -109237.8448 299.1239 -161286.4302 -108872.7042 298.8672 -47.3196 -21.3184 762711.3254 13.2107 13.3838 PRESSURE: 2130600 42.4944 269.364 -75.5569 269.363 -37.746 -181.348 -75.5572 -181.347 81.7959 GPRESSURE: 2130600 110.049 173.853 -93.6466 159.025 32.6954 -96.807 58.3677 -272.117 29.4164 PRESSAVG: 2130600 49.7435 40.6418 5.2259 40.6418 -47.3913 40.7953 5.2259 40.7953 -9.61561 GPRESSAVG: 2130600 50.8058 39.9794 5.21037 39.4833 -48.6107 41.1272 3.72053 39.0127 -9.00485 TIMING: 2130600 CPU: 6657.69, 0.00311185/step Wall: 6657.69, 0.00311185/step, 2.48032 hours remaining, 234.949219 MB of memory in use. ENERGY: 2130600 4031.3261 20560.2124 14441.1591 230.2302 -203681.4685 2872.5155 0.0000 0.0000 52132.7476 -109413.2775 299.6076 -161546.0251 -109046.0163 298.9172 28.8481 57.3870 762896.5507 -2.4211 -2.2699 PRESSURE: 2130800 -44.3535 -63.8998 -164.335 -63.8997 -64.6053 11.42 -164.336 11.4201 -98.9056 GPRESSURE: 2130800 -14.0872 85.7497 -122.643 122.309 -32.4444 29.4728 -267.556 31.8684 -71.8654 PRESSAVG: 2130800 -4.41201 -19.4295 31.2384 -19.4294 -8.33571 19.3266 31.2385 19.3266 -22.0484 GPRESSAVG: 2130800 -4.322 -17.6708 33.585 -20.4592 -6.51775 20.4437 32.0845 18.7635 -23.778 TIMING: 2130800 CPU: 6658.31, 0.00312271/step Wall: 6658.31, 0.00312271/step, 2.4888 hours remaining, 234.949219 MB of memory in use. ENERGY: 2130800 4030.1267 20350.7553 14496.6925 242.9251 -203277.8840 2794.3891 0.0000 0.0000 51948.9864 -109414.0088 298.5515 -161362.9953 -109048.2609 298.4355 -69.2882 -39.4657 762090.0490 -11.5987 -11.5393 PRESSURE: 2131000 110.515 212.055 110.589 212.055 -11.7384 -133.841 110.589 -133.842 129.134 GPRESSURE: 2131000 77.0136 254.24 64.2454 101.893 85.3207 -212.381 167.878 -54.0378 107.325 PRESSAVG: 2131000 21.1307 -30.4362 14.2983 -30.4361 -8.29246 -15.9771 14.2983 -15.9771 9.47863 GPRESSAVG: 2131000 20.1896 -31.602 12.3409 -30.8305 -7.73107 -17.8397 13.7216 -14.2661 9.94578 TIMING: 2131000 CPU: 6658.93, 0.00311333/step Wall: 6658.93, 0.00311333/step, 2.48115 hours remaining, 234.949219 MB of memory in use. ENERGY: 2131000 3956.8701 20666.0342 14465.6512 255.7711 -203335.9987 2769.6742 0.0000 0.0000 51725.7318 -109496.2660 297.2685 -161221.9978 -109138.8343 298.3911 75.9703 89.8865 762791.2357 7.4390 7.4681 PRESSURE: 2131200 194.075 43.2982 79.5025 43.2983 158.548 134.737 79.5023 134.737 247.604 GPRESSURE: 2131200 136.211 4.91801 -2.26593 52.2359 333.783 126.073 -53.0422 83.2265 200.818 PRESSAVG: 2131200 -20.7696 -17.2986 31.0427 -17.2986 -7.9167 -26.0044 31.0427 -26.0044 -3.39479 GPRESSAVG: 2131200 -21.7453 -17.698 30.1838 -15.8663 -8.62477 -23.8799 30.427 -25.8063 -1.8613 TIMING: 2131200 CPU: 6659.56, 0.00315784/step Wall: 6659.56, 0.00315784/step, 2.51645 hours remaining, 234.949219 MB of memory in use. ENERGY: 2131200 3911.8478 20539.4127 14454.8141 275.0014 -203266.5978 2946.9387 0.0000 0.0000 51910.7062 -109227.8770 298.3315 -161138.5831 -108867.9268 298.5118 200.0758 223.6042 762919.0186 -10.6937 -10.7438 PRESSURE: 2131400 -219.697 275.615 -167.635 275.617 207.906 77.7766 -167.635 77.7766 -125.961 GPRESSURE: 2131400 -115.263 358.915 -190.775 181.34 161.426 65.6513 -295.665 64.5477 -94.0469 PRESSAVG: 2131400 -11.7842 31.9003 23.2414 31.9003 32.6599 -11.4886 23.2414 -11.4885 17.9577 GPRESSAVG: 2131400 -8.9035 31.4329 23.8621 31.5125 31.1063 -12.6261 22.9237 -10.8926 16.7806 TIMING: 2131400 CPU: 6660.19, 0.00313365/step Wall: 6660.19, 0.00313365/step, 2.497 hours remaining, 234.949219 MB of memory in use. ENERGY: 2131400 3960.1176 20570.0975 14530.9126 237.7871 -203206.1489 2852.9292 0.0000 0.0000 51953.9147 -109100.3902 298.5799 -161054.3049 -108736.7805 299.0397 -45.9174 -15.9611 761910.4415 12.9445 12.9945 PRESSURE: 2131600 189.007 36.4409 -170.599 36.4409 37.7037 -187.431 -170.599 -187.431 234.614 GPRESSURE: 2131600 297.794 44.7843 -189.139 -32.0549 18.2678 -131.48 -78.5246 -235.08 238.01 PRESSAVG: 2131600 0.30618 11.5666 -33.4691 11.5666 -34.3206 -4.81075 -33.4691 -4.81074 7.75335 GPRESSAVG: 2131600 -1.10597 10.1545 -33.8041 13.6387 -33.3154 -3.96073 -32.008 -4.2322 8.57412 TIMING: 2131600 CPU: 6660.81, 0.00310328/step Wall: 6660.81, 0.00310328/step, 2.47263 hours remaining, 234.949219 MB of memory in use. ENERGY: 2131600 3989.6511 20707.6030 14436.9009 236.6574 -202892.7066 2799.4419 0.0000 0.0000 52016.4692 -108705.9829 298.9394 -160722.4521 -108347.5585 299.6894 153.7748 184.6904 761738.9287 -8.7537 -8.6158 PRESSURE: 2131800 -229.243 197.145 -102.687 197.145 129.538 43.3598 -102.687 43.3593 -241.47 GPRESSURE: 2131800 -120.495 188.94 -159.462 163.821 75.546 4.50822 -150.915 5.58471 -232.01 PRESSAVG: 2131800 0.163186 38.2019 -3.10906 38.2019 14.0559 21.5136 -3.10903 21.5135 -4.09936 GPRESSAVG: 2131800 0.740371 38.7555 -0.724976 36.7095 13.1466 21.8759 -6.23861 20.8917 -3.53326 TIMING: 2131800 CPU: 6661.43, 0.00310046/step Wall: 6661.43, 0.00310046/step, 2.47021 hours remaining, 234.949219 MB of memory in use. ENERGY: 2131800 4034.5049 20532.4946 14516.7309 259.0062 -203244.4413 2914.0011 0.0000 0.0000 52094.2626 -108893.4410 299.3864 -160987.7037 -108517.9826 299.7686 -113.7249 -92.3196 762128.0869 3.3733 3.4512 PRESSURE: 2132000 11.2774 -41.5937 -22.0088 -41.595 -293.605 -97.0869 -22.0083 -97.0872 339.82 GPRESSURE: 2132000 -29.4871 -49.244 42.5548 7.1874 -157.907 -103.244 -28.1387 1.16664 317.343 PRESSAVG: 2132000 19.0173 34.9956 -3.70919 34.9956 -8.33863 -2.37453 -3.7092 -2.37459 20.0341 GPRESSAVG: 2132000 19.0361 36.1457 -5.13584 34.6544 -7.11838 -3.7224 0.669469 -3.08937 18.822 TIMING: 2132000 CPU: 6662.05, 0.00310746/step Wall: 6662.05, 0.00310746/step, 2.47561 hours remaining, 234.949219 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: 2132000 4043.8920 20386.7106 14449.1474 260.5641 -202664.7485 2463.4338 0.0000 0.0000 52175.7736 -108885.2268 299.8549 -161061.0005 -108517.5887 299.5720 19.1641 43.3165 763018.1131 10.2376 10.2466 PRESSURE: 2132200 -27.7748 182.968 156.577 182.968 26.6157 152.924 156.576 152.924 57.4565 GPRESSURE: 2132200 -59.256 227.501 96.1385 136.294 158.938 90.9985 129.107 274.382 25.3451 PRESSAVG: 2132200 14.5708 -13.8475 22.2561 -13.8475 -32.1896 35.6168 22.2562 35.6168 12.1093 GPRESSAVG: 2132200 13.0145 -14.2671 22.42 -13.5772 -31.6423 36.9068 20.2296 35.3056 12.896 TIMING: 2132200 CPU: 6662.68, 0.00311436/step Wall: 6662.68, 0.00311436/step, 2.48093 hours remaining, 234.949219 MB of memory in use. ENERGY: 2132200 3950.1513 20693.1061 14487.0601 244.0799 -203233.6790 2678.3873 0.0000 0.0000 52166.6212 -109014.2732 299.8023 -161180.8944 -108662.3243 299.7006 18.7658 41.6758 762009.2532 -1.8365 -1.9106 LDB: ============= START OF LOAD BALANCING ============== 6675.15 LDB: ============== END OF LOAD BALANCING =============== 6675.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6675.15 LDB: ============= START OF LOAD BALANCING ============== 6675.46 LDB: Largest compute 6985 load 0.030605 is 15.7% of average load 0.195059 LDB: Average compute 0.004409 is 2.3% of average load 0.195059 LDB: TIME 6675.47 LOAD: AVG 0.195059 MAX 0.218078 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.312 MB LDB: TIME 6675.47 LOAD: AVG 0.195059 MAX 0.218078 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.312 MB LDB: TIME 6675.47 LOAD: AVG 0.195059 MAX 0.21245 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.312 MB LDB: ============== END OF LOAD BALANCING =============== 6675.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6675.47 PRESSURE: 2132400 -447.875 -102.028 97.4913 -102.028 209.196 70.1556 97.4917 70.1563 -121.266 GPRESSURE: 2132400 -317.744 -84.5239 156.999 -113.02 217.42 7.56579 109.913 -69.2066 -195.873 PRESSAVG: 2132400 0.332508 33.2004 50.4488 33.2003 -25.7458 12.763 50.4488 12.7629 40.5637 GPRESSAVG: 2132400 1.95847 33.7453 50.7351 34.1849 -27.106 11.91 50.2341 13.392 40.5713 TIMING: 2132400 CPU: 6663.31, 0.00316599/step Wall: 6663.31, 0.00316599/step, 2.52188 hours remaining, 233.539062 MB of memory in use. ENERGY: 2132400 4010.4537 20534.9124 14494.1331 240.4519 -202872.1226 2476.1824 0.0000 0.0000 52158.8313 -108957.1578 299.7575 -161115.9891 -108593.9387 299.8327 -119.9813 -98.7322 760976.7756 5.0501 5.1412 PRESSURE: 2132600 148.743 135.135 -137.945 135.136 87.8355 -186.047 -137.944 -186.047 -5.60697 GPRESSURE: 2132600 106.23 116.41 -182.221 114.202 109.231 -192.632 -19.3791 -206.703 77.8439 PRESSAVG: 2132600 -20.4168 29.0688 16.6105 29.0689 23.6665 -44.7802 16.6104 -44.7802 3.86781 GPRESSAVG: 2132600 -21.2686 29.1535 15.1132 28.8617 24.3192 -45.4503 17.5608 -45.0843 4.60781 TIMING: 2132600 CPU: 6663.93, 0.00312829/step Wall: 6663.93, 0.00312829/step, 2.49168 hours remaining, 233.742188 MB of memory in use. ENERGY: 2132600 3862.0591 20593.9449 14496.1429 247.4883 -203141.6722 2871.6539 0.0000 0.0000 52160.4423 -108909.9408 299.7668 -161070.3831 -108556.8143 299.8498 76.9906 97.7684 761746.4420 2.3725 2.5528 PRESSURE: 2132800 197.954 -73.0727 20.637 -73.0723 284.57 -81.3643 20.6369 -81.3643 81.5663 GPRESSURE: 2132800 144.012 -151.066 -13.0688 -71.5544 370.904 -63.7411 -58.5089 120.964 116.271 PRESSAVG: 2132800 16.8196 48.5479 8.27964 48.5479 -35.4296 -35.7104 8.27958 -35.7104 9.66955 GPRESSAVG: 2132800 15.6709 46.2843 8.19815 47.4121 -34.5573 -35.3758 7.94889 -33.8097 9.47611 TIMING: 2132800 CPU: 6664.56, 0.00311004/step Wall: 6664.56, 0.00311004/step, 2.47698 hours remaining, 233.742188 MB of memory in use. ENERGY: 2132800 3935.8915 20565.6705 14444.3655 254.4967 -203447.4349 3030.2464 0.0000 0.0000 52173.4014 -109043.3630 299.8413 -161216.7644 -108683.3440 299.6585 188.0301 210.3955 762087.4247 -2.9801 -3.1368 PRESSURE: 2133000 -107.27 84.2147 -75.0367 84.2138 195.3 190.152 -75.0366 190.151 -355.333 GPRESSURE: 2133000 -25.7682 19.4485 -118.753 113.463 200.551 145.084 -21.1254 48.597 -340.697 PRESSAVG: 2133000 -28.5967 -29.2479 -37.8462 -29.2479 33.9352 -34.0208 -37.8462 -34.0208 9.93428 GPRESSAVG: 2133000 -26.3464 -27.5159 -36.814 -28.429 32.4661 -34.8193 -39.593 -34.3668 9.33858 TIMING: 2133000 CPU: 6665.18, 0.00310655/step Wall: 6665.18, 0.00310655/step, 2.47402 hours remaining, 233.742188 MB of memory in use. ENERGY: 2133000 4012.1845 20617.3097 14504.3184 268.6644 -203463.3054 2966.9506 0.0000 0.0000 52142.0315 -108951.8463 299.6610 -161093.8778 -108595.9254 299.5118 -89.1011 -55.3047 763774.2216 5.0909 5.1528 PRESSURE: 2133200 -161.574 -10.2569 50.3324 -10.2567 270.559 -74.5304 50.3326 -74.5293 174.263 GPRESSURE: 2133200 -90.1887 -8.89422 62.6159 5.07704 232.944 -14.2239 161.929 -22.1311 235.906 PRESSAVG: 2133200 12.3792 52.6303 55.8161 52.6302 -5.22762 19.7851 55.8162 19.7851 -14.0144 GPRESSAVG: 2133200 11.1376 51.2219 56.814 54.3796 -4.72398 20.2149 54.5899 18.4765 -13.1856 TIMING: 2133200 CPU: 6665.8, 0.00312529/step Wall: 6665.8, 0.00312529/step, 2.48877 hours remaining, 233.742188 MB of memory in use. ENERGY: 2133200 3916.7100 20499.2979 14476.4920 233.5784 -203461.0328 2789.4376 0.0000 0.0000 52248.8444 -109296.6725 300.2748 -161545.5169 -108928.3414 299.1526 94.4161 126.2204 761604.3752 -2.2876 -2.2573 PRESSURE: 2133400 -351.275 -48.2609 227.968 -48.2617 -383.97 -138.885 227.969 -138.886 -341.275 GPRESSURE: 2133400 -335.967 13.6471 195.588 51.9842 -272.887 -44.3454 218.841 -105.684 -385.948 PRESSAVG: 2133400 -13.132 14.9574 30.98 14.9574 20.3564 -21.0317 30.9801 -21.0319 -7.93186 GPRESSAVG: 2133400 -12.2621 15.267 31.3248 14.69 19.8916 -20.0502 32.1364 -21.3374 -8.29767 TIMING: 2133400 CPU: 6666.43, 0.00313744/step Wall: 6666.43, 0.00313744/step, 2.49827 hours remaining, 233.742188 MB of memory in use. ENERGY: 2133400 4016.0175 20578.1940 14447.5207 254.1198 -203345.1206 2751.7299 0.0000 0.0000 52575.0203 -108722.5183 302.1494 -161297.5386 -108355.9087 300.2836 -358.8398 -331.6008 762383.2486 -0.2358 -0.2227 PRESSURE: 2133600 -297.638 -61.1457 145.289 -61.1459 -498.111 123.017 145.287 123.018 -423.368 GPRESSURE: 2133600 -249.952 -48.66 154.484 5.9641 -457.427 39.0501 211.656 102.879 -418.4 PRESSAVG: 2133600 21.8722 3.0641 4.7537 3.06414 -35.9686 -22.2146 4.75372 -22.2146 2.37398 GPRESSAVG: 2133600 22.5718 5.12122 3.15993 2.02667 -35.7362 -20.9948 4.96507 -21.8456 1.77299 TIMING: 2133600 CPU: 6667.05, 0.00310595/step Wall: 6667.05, 0.00310595/step, 2.47303 hours remaining, 233.742188 MB of memory in use. ENERGY: 2133600 4030.7167 20480.1277 14468.4712 249.1518 -202852.8482 2463.2115 0.0000 0.0000 52373.8606 -108787.3089 300.9933 -161161.1695 -108419.1964 300.4724 -406.3723 -375.2598 764107.0002 -3.9075 -3.7971 PRESSURE: 2133800 -141.576 -58.7478 -67.6572 -58.748 -107.028 155.79 -67.6567 155.791 -13.3607 GPRESSURE: 2133800 -146.145 -10.7227 25.382 -8.81086 -112.082 225.047 -16.1208 52.1434 65.0175 PRESSAVG: 2133800 0.238509 36.9413 19.4666 36.9413 11.3429 33.0205 19.4666 33.0206 -8.91439 GPRESSAVG: 2133800 -0.995271 37.2736 18.655 35.3392 11.7979 31.2487 21.3215 31.6638 -8.31615 TIMING: 2133800 CPU: 6667.67, 0.00310211/step Wall: 6667.67, 0.00310211/step, 2.46979 hours remaining, 233.742188 MB of memory in use. ENERGY: 2133800 4034.2442 20655.6567 14532.6027 276.5810 -203109.3823 2730.9728 0.0000 0.0000 52424.9788 -108454.3460 301.2871 -160879.3248 -108098.6627 300.4046 -87.3215 -64.4031 763522.5640 0.8890 0.8288 PRESSURE: 2134000 -198.731 -156.502 -90.0046 -156.503 -155.78 -223.134 -90.0045 -223.133 -144.431 GPRESSURE: 2134000 -224.561 -124.225 -110.505 -128.698 -78.1742 -112.084 -57.0071 -189.149 -124.634 PRESSAVG: 2134000 -46.3427 -51.9716 25.3434 -51.9716 69.3366 -2.34006 25.3434 -2.34007 -12.545 GPRESSAVG: 2134000 -47.2036 -52.9322 25.599 -50.5493 70.189 -1.55073 23.8287 -0.221146 -12.3438 TIMING: 2134000 CPU: 6668.3, 0.003128/step Wall: 6668.3, 0.003128/step, 2.49023 hours remaining, 233.742188 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: 2134000 4043.3000 20583.6842 14483.9185 257.6952 -202380.3604 2435.0631 0.0000 0.0000 52121.4852 -108455.2142 299.5429 -160576.6994 -108095.9233 300.6173 -166.3140 -142.4564 763434.6737 3.4829 3.5472 PRESSURE: 2134200 97.167 -137.628 53.522 -137.628 187.96 215.897 53.5223 215.897 -153.539 GPRESSURE: 2134200 109.899 -212.908 21.4045 -289.412 217.744 253.308 26.2634 248.27 -106.04 PRESSAVG: 2134200 -56.903 11.7466 -11.4703 11.7466 -9.05067 -4.01231 -11.4702 -4.01225 1.49088 GPRESSAVG: 2134200 -56.0661 11.2715 -9.90066 10.1772 -10.1303 -6.07521 -10.78 -4.65778 1.66081 TIMING: 2134200 CPU: 6668.92, 0.00312338/step Wall: 6668.92, 0.00312338/step, 2.48639 hours remaining, 233.742188 MB of memory in use. ENERGY: 2134200 3975.8057 20606.7541 14421.1690 254.0141 -202632.5812 2582.3116 0.0000 0.0000 52284.2382 -108508.2885 300.4782 -160792.5267 -108140.8772 300.6392 43.8628 73.8675 764028.8802 -21.4876 -21.5119 PRESSURE: 2134400 -296.473 -22.6641 -106.415 -22.6645 -485.753 -55.1672 -106.416 -55.1674 -388.555 GPRESSURE: 2134400 -360.832 -86.6176 -35.0496 -64.2658 -414.779 -62.8856 -217.67 -42.4663 -329.206 PRESSAVG: 2134400 33.2116 30.1018 3.85759 30.1018 7.97453 19.5336 3.85769 19.5336 5.50004 GPRESSAVG: 2134400 32.0708 28.19 2.58516 29.4187 8.59109 20.0983 4.18848 19.8531 5.25619 TIMING: 2134400 CPU: 6669.54, 0.00310855/step Wall: 6669.54, 0.00310855/step, 2.47441 hours remaining, 233.742188 MB of memory in use. ENERGY: 2134400 3991.4904 20638.5914 14495.1941 256.9596 -202933.5351 2814.1791 0.0000 0.0000 52150.1684 -108586.9522 299.7077 -160737.1206 -108212.7739 301.0583 -390.2603 -368.2726 764369.8886 15.5621 15.3060 PRESSURE: 2134600 219.099 45.7981 25.4577 45.7986 16.9187 218.173 25.4585 218.173 -292.51 GPRESSURE: 2134600 211.898 -3.88412 -1.73801 116.07 67.2492 194.101 35.0563 175.57 -263.329 PRESSAVG: 2134600 -54.1211 -18.197 11.3802 -18.1969 30.7453 42.2781 11.3802 42.2781 -9.44851 GPRESSAVG: 2134600 -54.1414 -16.8648 9.15535 -17.071 30.5923 42.7702 12.18 41.138 -9.07195 TIMING: 2134600 CPU: 6670.17, 0.00311075/step Wall: 6670.17, 0.00311075/step, 2.47598 hours remaining, 233.742188 MB of memory in use. ENERGY: 2134600 4027.1946 20576.2941 14460.4417 235.9137 -203100.2981 2941.5236 0.0000 0.0000 52303.8959 -108555.0345 300.5912 -160858.9305 -108197.8296 300.6687 -18.8307 5.2728 763419.0746 -10.9414 -10.8737 PRESSURE: 2134800 -256.499 -14.7418 201.889 -14.7432 -188.328 -37.7737 201.89 -37.7745 -208.994 GPRESSURE: 2134800 -228.84 -126.628 123.646 -22.0935 -107.906 0.348979 74.8338 52.0526 -229.686 PRESSAVG: 2134800 11.8644 -4.09786 31.6695 -4.09793 -31.8828 7.86001 31.6695 7.85998 -12.2375 GPRESSAVG: 2134800 11.412 -2.21734 33.4663 -5.10366 -32.3084 7.33834 31.4459 9.27787 -11.0614 TIMING: 2134800 CPU: 6670.79, 0.00311052/step Wall: 6670.79, 0.00311052/step, 2.47563 hours remaining, 233.742188 MB of memory in use. ENERGY: 2134800 3985.4362 20605.7294 14468.7005 245.6085 -203332.1380 2989.9933 0.0000 0.0000 52315.1090 -108721.5610 300.6557 -161036.6700 -108363.0127 299.9947 -217.9402 -188.8106 765498.5862 -10.7520 -10.6526 PRESSURE: 2135000 38.7953 -247.353 41.6414 -247.353 274.622 16.9789 41.6419 16.9793 -101.22 GPRESSURE: 2135000 73.1738 -21.8363 51.9746 -292.752 226.34 -63.4195 56.791 119.113 9.56205 PRESSAVG: 2135000 -76.9766 -8.73439 24.0578 -8.73443 26.0393 41.5331 24.0578 41.533 11.0305 GPRESSAVG: 2135000 -74.8662 -9.21357 23.1599 -8.56021 25.4423 40.7825 23.6653 39.7112 9.55866 TIMING: 2135000 CPU: 6671.41, 0.00309431/step Wall: 6671.41, 0.00309431/step, 2.46255 hours remaining, 233.742188 MB of memory in use. ENERGY: 2135000 4036.9035 20538.1098 14467.6100 258.2780 -203061.5321 2918.8616 0.0000 0.0000 52020.3849 -108821.3842 298.9619 -160841.7691 -108461.7161 299.4653 70.7322 103.0251 763498.5873 -13.3022 -13.2884 PRESSURE: 2135200 -274.488 -107.783 4.06095 -107.783 -320.985 178.085 4.06156 178.086 85.8119 GPRESSURE: 2135200 -142.89 -166.282 85.788 45.3623 -340.539 94.7455 11.5194 96.7583 66.9505 PRESSAVG: 2135200 -4.74236 -20.2165 -19.1545 -20.2165 37.6377 6.85792 -19.1545 6.85794 -0.970731 GPRESSAVG: 2135200 -5.68758 -22.9825 -16.9059 -19.9361 38.6974 6.56758 -20.3198 6.63688 -0.826026 TIMING: 2135200 CPU: 6672.03, 0.00309306/step Wall: 6672.03, 0.00309306/step, 2.46139 hours remaining, 233.742188 MB of memory in use. ENERGY: 2135200 3971.4041 20507.4948 14380.8124 233.9523 -202639.9337 2393.4526 0.0000 0.0000 52462.5279 -108690.2896 301.5029 -161152.8174 -108334.0307 299.7118 -169.8871 -138.8259 763382.1482 10.6415 10.7279 PRESSURE: 2135400 -205.345 94.0841 1.47612 94.0855 114.485 21.8433 1.47616 21.8438 439.006 GPRESSURE: 2135400 -240.667 156.068 31.3088 105 229.905 44.4882 -142.294 5.9896 445.626 PRESSAVG: 2135400 13.5521 -5.61578 -5.38137 -5.61573 -4.67704 41.6136 -5.38132 41.6136 -9.58635 GPRESSAVG: 2135400 12.2213 -3.0234 -4.5095 -5.69774 -3.85507 42.4413 -5.64553 44.3887 -9.52494 TIMING: 2135400 CPU: 6672.65, 0.00313491/step Wall: 6672.65, 0.00313491/step, 2.49452 hours remaining, 233.742188 MB of memory in use. ENERGY: 2135400 4000.3623 20464.6997 14510.4894 241.3249 -203070.7895 2727.3043 0.0000 0.0000 52131.0511 -108995.5579 299.5979 -161126.6090 -108630.8269 300.1512 116.0486 144.9548 763762.4800 -0.2371 -0.3862 PRESSURE: 2135600 -322.084 -39.0418 -11.711 -39.0426 -29.4528 183.621 -11.7106 183.621 -142.924 GPRESSURE: 2135600 -189.315 -102.743 -73.0858 30.9389 -77.1283 267.961 37.4744 98.6699 -156.542 PRESSAVG: 2135600 19.0895 -13.3033 -33.8141 -13.3034 -24.2011 57.0437 -33.814 57.0437 -2.02112 GPRESSAVG: 2135600 19.4581 -12.7378 -35.6742 -12.3418 -24.4108 57.0552 -32.9646 55.8858 -1.95082 TIMING: 2135600 CPU: 6673.27, 0.00310512/step Wall: 6673.27, 0.00310512/step, 2.47064 hours remaining, 233.742188 MB of memory in use. ENERGY: 2135600 3975.1516 20500.4255 14444.6366 243.5776 -202845.2578 2606.9136 0.0000 0.0000 52200.3239 -108874.2290 299.9960 -161074.5529 -108517.9124 299.2966 -164.8203 -140.9952 764865.7612 -2.3776 -2.3012 PRESSURE: 2135800 23.0294 -206.084 -115.436 -206.084 278.968 -41.3787 -115.435 -41.3777 111.26 GPRESSURE: 2135800 104.814 -58.9433 -93.3002 -220.578 291.532 7.9142 -65.5454 -43.651 115.408 PRESSAVG: 2135800 -17.4413 -34.3977 -6.22213 -34.3977 29.0794 -23.5172 -6.22219 -23.5172 -10.3299 GPRESSAVG: 2135800 -16.6479 -35.0566 -4.62934 -34.5374 27.8007 -23.0844 -6.77189 -25.4511 -9.95831 TIMING: 2135800 CPU: 6673.89, 0.00310164/step Wall: 6673.89, 0.00310164/step, 2.4677 hours remaining, 233.742188 MB of memory in use. ENERGY: 2135800 3914.4143 20531.2871 14518.6522 251.7211 -202705.0268 2664.7400 0.0000 0.0000 52009.0700 -108815.1419 298.8968 -160824.2119 -108456.0893 299.6450 137.7525 170.5848 762167.9095 0.4360 0.3982 PRESSURE: 2136000 -95.6296 15.5549 -99.3864 15.5551 -48.5803 230.84 -99.3852 230.839 2.473 GPRESSURE: 2136000 -130.631 2.58063 -128.518 -0.167477 45.8995 191.05 -60.9955 240.457 47.6777 PRESSAVG: 2136000 11.4224 -54.7482 5.07004 -54.7482 -23.5273 37.9312 5.07004 37.9312 -19.1777 GPRESSAVG: 2136000 9.98133 -57.1416 3.61809 -53.7067 -22.2134 36.5228 6.80384 39.3096 -19.3979 TIMING: 2136000 CPU: 6674.51, 0.00309013/step Wall: 6674.51, 0.00309013/step, 2.45837 hours remaining, 233.742188 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: 2136000 3965.7333 20448.5388 14451.3074 248.7259 -203155.5992 2840.7860 0.0000 0.0000 52254.3978 -108946.1100 300.3067 -161200.5078 -108574.8792 299.5328 -47.2457 -12.3513 762526.0476 -10.4276 -10.5433 PRESSURE: 2136200 -159.721 -24.4627 -138.75 -24.4628 156.417 1.58983 -138.752 1.58986 171.597 GPRESSURE: 2136200 -99.3846 -118.357 -149.671 65.9016 93.072 -23.9297 -226.561 55.9322 260.118 PRESSAVG: 2136200 -28.107 -19.8464 14.5192 -19.8464 30.0744 8.94443 14.5192 8.94438 -19.3875 GPRESSAVG: 2136200 -27.4555 -17.8511 12.8488 -20.3276 29.4573 8.95569 14.0407 8.9137 -19.8628 TIMING: 2136200 CPU: 6675.13, 0.00309018/step Wall: 6675.13, 0.00309018/step, 2.45824 hours remaining, 233.742188 MB of memory in use. ENERGY: 2136200 4050.0678 20753.2612 14412.4514 246.8791 -203436.9230 2887.2644 0.0000 0.0000 52099.7715 -108987.2275 299.4181 -161086.9990 -108632.9710 299.8025 56.0975 84.6016 762894.9057 -5.8067 -5.9537 LDB: ============= START OF LOAD BALANCING ============== 6687.61 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6687.61 LDB: =============== DONE WITH MIGRATION ================ 6687.61 LDB: ============= START OF LOAD BALANCING ============== 6687.92 LDB: Largest compute 6985 load 0.028946 is 14.8% of average load 0.195055 LDB: Average compute 0.004393 is 2.3% of average load 0.195055 LDB: TIME 6687.92 LOAD: AVG 0.195055 MAX 0.214125 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.023 MB LDB: TIME 6687.92 LOAD: AVG 0.195055 MAX 0.214125 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.23 MB LDB: TIME 6687.92 LOAD: AVG 0.195055 MAX 0.214125 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.23 MB LDB: ============== END OF LOAD BALANCING =============== 6687.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6687.93 PRESSURE: 2136400 -307.036 -245.934 -44.9378 -245.935 114.704 218.081 -44.9382 218.081 269.893 GPRESSURE: 2136400 -205.942 -108.479 -40.4215 -171.891 172.644 205.554 71.2681 259.288 195.372 PRESSAVG: 2136400 -47.9337 15.8001 11.9937 15.8001 54.5809 28.4782 11.9936 28.4781 9.58178 GPRESSAVG: 2136400 -47.4106 15.8216 14.2647 13.316 53.9833 29.6208 11.5816 26.2407 9.52223 TIMING: 2136400 CPU: 6675.76, 0.00316495/step Wall: 6675.76, 0.00316495/step, 2.51754 hours remaining, 233.742188 MB of memory in use. ENERGY: 2136400 4071.5195 20482.9284 14388.9062 259.7077 -203066.2081 2562.9030 0.0000 0.0000 52231.9392 -109068.3040 300.1777 -161300.2432 -108711.5462 299.8234 25.8537 54.0246 764224.6021 5.4097 5.3650 PRESSURE: 2136600 99.0075 -193.176 44.9176 -193.176 -61.2736 -93.0774 44.9177 -93.0762 80.9959 GPRESSURE: 2136600 53.9961 -90.0408 7.58189 -203.448 43.5852 -244.408 120.084 -74.2464 98.4929 PRESSAVG: 2136600 19.9887 -8.51288 4.80423 -8.51289 -25.6676 46.2478 4.80427 46.2478 3.77072 GPRESSAVG: 2136600 19.8537 -9.06655 5.83246 -6.05984 -25.0382 44.6753 4.65367 48.5422 2.79397 TIMING: 2136600 CPU: 6676.39, 0.0031242/step Wall: 6676.39, 0.0031242/step, 2.48496 hours remaining, 233.742188 MB of memory in use. ENERGY: 2136600 3941.4074 20779.1661 14417.7159 253.5880 -203503.1862 3045.0022 0.0000 0.0000 52029.0476 -109037.2589 299.0117 -161066.3066 -108681.1359 299.7462 39.5766 65.3581 762456.4128 -0.6361 -0.7968 PRESSURE: 2136800 -28.821 -61.0889 -200.12 -61.0898 245.277 77.537 -200.12 77.5378 64.9057 GPRESSURE: 2136800 73.5754 -94.7464 -164.524 -146.44 257.38 167.151 -209.082 22.3351 38.6703 PRESSAVG: 2136800 -47.4336 -58.5672 -39.7756 -58.5672 36.1628 43.4856 -39.7757 43.4856 0.606989 GPRESSAVG: 2136800 -47.5557 -57.5169 -41.233 -60.3077 35.9742 43.4511 -38.185 44.9441 0.475423 TIMING: 2136800 CPU: 6677.01, 0.00310346/step Wall: 6677.01, 0.00310346/step, 2.46828 hours remaining, 233.742188 MB of memory in use. ENERGY: 2136800 4021.0213 20572.5912 14400.0773 264.2817 -203306.3420 2888.7256 0.0000 0.0000 52039.8246 -109119.8202 299.0736 -161159.6449 -108747.1007 299.4908 93.7873 123.2086 762811.0283 -3.5546 -3.7020 PRESSURE: 2137000 242.16 18.332 10.4333 18.3315 -77.451 181.054 10.4344 181.054 -140.294 GPRESSURE: 2137000 219.434 43.5255 -21.19 8.77729 -40.404 107.866 -38.2369 271.132 -74.5961 PRESSAVG: 2137000 -44.1155 -31.5392 9.49217 -31.5392 31.4957 -21.4599 9.49214 -21.4599 5.41648 GPRESSAVG: 2137000 -44.7399 -31.5524 7.61242 -31.0221 31.6686 -20.1577 7.01144 -21.535 5.05594 TIMING: 2137000 CPU: 6677.63, 0.00308529/step Wall: 6677.63, 0.00308529/step, 2.45366 hours remaining, 233.742188 MB of memory in use. ENERGY: 2137000 3997.6189 20548.5488 14397.7444 265.8156 -203679.0794 3089.5092 0.0000 0.0000 52262.9746 -109116.8679 300.3560 -161379.8425 -108756.7801 299.8775 8.1382 34.8112 762647.8918 -2.4011 -2.6718 PRESSURE: 2137200 226.302 140.348 -99.961 140.349 -33.9937 31.5129 -99.9611 31.5116 14.7626 GPRESSURE: 2137200 173.538 127.412 -74.4918 -61.8067 60.3062 103.667 -135.378 78.0747 52.9865 PRESSAVG: 2137200 0.229933 -48.458 -17.782 -48.458 -28.7337 18.1212 -17.782 18.1211 14.3454 GPRESSAVG: 2137200 -0.49401 -51.1003 -15.8167 -49.2936 -27.9355 16.4254 -17.6597 17.9977 14.3651 TIMING: 2137200 CPU: 6678.25, 0.00310489/step Wall: 6678.25, 0.00310489/step, 2.46908 hours remaining, 233.742188 MB of memory in use. ENERGY: 2137200 3947.7868 20556.1005 14445.9778 270.0654 -203023.6791 2670.5374 0.0000 0.0000 52189.0115 -108944.1998 299.9310 -161133.2112 -108580.5822 299.5783 69.0238 95.6102 762890.1858 -4.7195 -4.6881 PRESSURE: 2137400 101.857 216.861 56.8214 216.862 107.12 -133.091 56.8214 -133.091 2.49441 GPRESSURE: 2137400 76.7666 234.999 67.8195 163.638 136.688 -229.147 38.8963 -203.328 69.4723 PRESSAVG: 2137400 -40.4068 -20.266 -28.4594 -20.266 37.131 10.0762 -28.4594 10.0762 -3.0673 GPRESSAVG: 2137400 -41.2089 -18.7469 -27.6291 -19.0638 36.8399 10.9923 -28.4734 12.5828 -2.1928 TIMING: 2137400 CPU: 6678.87, 0.00311383/step Wall: 6678.87, 0.00311383/step, 2.47601 hours remaining, 233.742188 MB of memory in use. ENERGY: 2137400 3984.0918 20591.9545 14476.7493 264.8472 -203043.1778 2649.7637 0.0000 0.0000 52408.2488 -108667.5226 301.1909 -161075.7714 -108295.2623 300.1152 70.4904 94.3091 764251.0426 -2.1144 -2.1873 PRESSURE: 2137600 26.2788 -16.7464 -154.516 -16.7459 261.042 102.857 -154.517 102.857 109.653 GPRESSURE: 2137600 126.228 -50.9541 -227.532 -63.0027 260.804 142.469 -139.673 43.1332 91.4552 PRESSAVG: 2137600 -21.3784 -32.4938 -37.6397 -32.4938 -20.0172 -19.7984 -37.6397 -19.7984 8.422 GPRESSAVG: 2137600 -20.0512 -31.1611 -37.3261 -33.2682 -21.3169 -19.9567 -36.4414 -21.5967 8.17276 TIMING: 2137600 CPU: 6679.49, 0.0031189/step Wall: 6679.49, 0.0031189/step, 2.47987 hours remaining, 233.742188 MB of memory in use. ENERGY: 2137600 4011.3694 20491.8205 14487.1004 245.6282 -203475.0157 3207.7465 0.0000 0.0000 52172.2987 -108859.0520 299.8349 -161031.3507 -108499.5349 299.5197 132.3245 159.4959 763974.8808 -10.9912 -11.0651 PRESSURE: 2137800 460.004 -231.957 -40.9964 -231.957 -148.904 82.0249 -40.9963 82.0239 -23.3767 GPRESSURE: 2137800 350.982 -207.537 51.8527 -150.578 -38.2292 232.217 104.469 12.8313 47.4385 PRESSAVG: 2137800 -33.6662 1.21118 12.9242 1.21115 52.572 -57.1548 12.9242 -57.1548 -3.63933 GPRESSAVG: 2137800 -33.0512 2.10873 11.1348 1.72477 52.6311 -55.489 12.409 -57.0268 -4.42098 TIMING: 2137800 CPU: 6680.11, 0.00310583/step Wall: 6680.11, 0.00310583/step, 2.46931 hours remaining, 233.742188 MB of memory in use. ENERGY: 2137800 4041.3500 20536.9259 14514.3618 243.6099 -203045.1534 2908.0930 0.0000 0.0000 51960.8186 -108839.9942 298.6195 -160800.8129 -108475.4398 299.7978 95.9076 120.0638 764891.8808 5.0888 5.0530 PRESSURE: 2138000 76.6731 15.964 265.551 15.965 216.758 8.61049 265.552 8.60962 -59.8846 GPRESSURE: 2138000 154.675 98.339 292.646 -13.021 242.099 2.27454 147.881 31.1131 -77.7937 PRESSAVG: 2138000 -21.6419 28.1504 -49.0035 28.1504 -29.4386 61.9071 -49.0035 61.907 -14.2711 GPRESSAVG: 2138000 -21.9008 27.3745 -48.6756 27.4447 -28.5441 62.1974 -49.4506 60.7778 -14.3963 TIMING: 2138000 CPU: 6680.74, 0.00310286/step Wall: 6680.74, 0.00310286/step, 2.46678 hours remaining, 233.742188 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: 2138000 3979.3560 20545.1404 14461.1714 257.2829 -203405.6010 3021.7659 0.0000 0.0000 52169.2223 -108971.6622 299.8172 -161140.8845 -108598.1219 299.3619 77.8489 106.3269 763712.2196 -21.7839 -21.6137 PRESSURE: 2138200 122.981 119.942 -213.918 119.94 -21.4776 -110.558 -213.918 -110.558 189.159 GPRESSURE: 2138200 168.935 186.931 -230.687 171.831 -26.2306 -176.773 -193.843 -128.881 218.462 PRESSAVG: 2138200 35.3598 28.129 7.12217 28.129 -33.5961 -4.85919 7.12216 -4.85922 -6.92851 GPRESSAVG: 2138200 33.9494 27.6083 7.83943 29.1816 -33.633 -5.49681 7.14035 -3.96599 -5.97759 TIMING: 2138200 CPU: 6681.35, 0.00309642/step Wall: 6681.35, 0.00309642/step, 2.46148 hours remaining, 233.742188 MB of memory in use. ENERGY: 2138200 3963.5424 20594.2817 14426.3444 252.8282 -203202.6386 2782.6902 0.0000 0.0000 52010.9924 -109171.9593 298.9079 -161182.9517 -108812.2734 299.0897 96.8876 120.3888 763906.1795 -1.7216 -1.8871 PRESSURE: 2138400 -212.695 205.304 -214.543 205.304 -514.166 -123.536 -214.543 -123.536 15.6787 GPRESSURE: 2138400 -159.461 239.357 -159.651 187.779 -469.88 -102.241 -256.145 -71.8676 -8.98129 PRESSAVG: 2138400 40.4755 57.2196 27.3493 57.2196 -56.5386 23.7185 27.3493 23.7185 36.0795 GPRESSAVG: 2138400 41.7061 56.6564 27.4813 56.5841 -58.3164 23.3964 24.7501 24.6968 35.9535 TIMING: 2138400 CPU: 6681.98, 0.00311214/step Wall: 6681.98, 0.00311214/step, 2.4738 hours remaining, 233.742188 MB of memory in use. ENERGY: 2138400 4037.8571 20722.3414 14417.3742 280.2950 -203221.1937 2669.5441 0.0000 0.0000 51925.2942 -109168.4878 298.4154 -161093.7820 -108805.4686 299.1256 -237.0606 -212.7739 762470.6612 6.6721 6.4478 PRESSURE: 2138600 75.0346 50.6849 -92.4485 50.6849 -148.157 -62.002 -92.4493 -62.0021 -69.9883 GPRESSURE: 2138600 244.075 -58.3706 -37.3755 -80.7489 -203.152 44.1471 -49.9345 -48.7632 -98.154 PRESSAVG: 2138600 10.4249 -5.79467 31.363 -5.79468 -5.30062 -40.8625 31.363 -40.8625 -20.0706 GPRESSAVG: 2138600 9.93652 -5.23926 31.2974 -6.98697 -4.60767 -39.8826 33.7937 -43.5677 -20.4543 TIMING: 2138600 CPU: 6682.6, 0.00309718/step Wall: 6682.6, 0.00309718/step, 2.46174 hours remaining, 233.742188 MB of memory in use. ENERGY: 2138600 3980.6931 20598.9178 14445.3078 258.4153 -203532.9062 2845.8383 0.0000 0.0000 52065.5411 -109338.1928 299.2214 -161403.7339 -108963.1501 299.0516 -47.7037 -19.0773 761340.0676 -4.9821 -5.0418 PRESSURE: 2138800 -111.889 -9.5701 -50.587 -9.57024 -40.214 33.5325 -50.587 33.5316 -106.673 GPRESSURE: 2138800 -0.766358 -129.983 -22.8957 -21.614 -63.5499 -0.893815 -24.7594 47.9537 -131.577 PRESSAVG: 2138800 62.123 -44.2819 35.252 -44.2819 -26.1186 64.0349 35.2521 64.0348 -11.6105 GPRESSAVG: 2138800 60.9545 -45.0703 36.0161 -45.3698 -26.214 63.8273 38.179 63.6229 -10.4836 TIMING: 2138800 CPU: 6683.22, 0.00311248/step Wall: 6683.22, 0.00311248/step, 2.47373 hours remaining, 233.742188 MB of memory in use. ENERGY: 2138800 4049.3839 20667.9272 14467.1037 252.0887 -203371.5952 2767.2798 0.0000 0.0000 51978.3815 -109189.4304 298.7205 -161167.8118 -108825.7889 299.1118 -86.2586 -65.2976 761784.1286 8.1313 8.0856 PRESSURE: 2139000 -169.131 95.0572 -12.331 95.0573 -175.694 46.57 -12.3303 46.5682 -173.748 GPRESSURE: 2139000 6.80676 92.6877 -19.6472 102.577 -213.958 63.3173 83.6031 37.0621 -211.244 PRESSAVG: 2139000 -2.47558 -76.4485 26.1617 -76.4485 8.12121 7.8923 26.1617 7.89234 2.60626 GPRESSAVG: 2139000 -0.613223 -78.1783 26.4205 -74.5322 7.78593 8.0387 23.0629 8.56273 1.69975 TIMING: 2139000 CPU: 6683.84, 0.00310348/step Wall: 6683.84, 0.00310348/step, 2.46641 hours remaining, 233.742188 MB of memory in use. ENERGY: 2139000 3907.1011 20438.2025 14399.0151 245.5105 -203031.3276 2506.3471 0.0000 0.0000 52325.0779 -109210.0735 300.7129 -161535.1513 -108832.1754 298.9421 -172.8573 -139.4651 764513.9923 2.7506 2.9575 PRESSURE: 2139200 -39.9034 26.7117 -18.6071 26.7113 -137.56 -107.314 -18.606 -107.314 11.3121 GPRESSURE: 2139200 -26.5045 85.6454 -21.2594 -120.184 0.705236 2.69146 -67.0675 -122.311 -77.5787 PRESSAVG: 2139200 -31.3227 3.64155 22.1184 3.64156 24.7 0.861095 22.1185 0.861105 26.2839 GPRESSAVG: 2139200 -33.2876 6.57359 19.2779 2.71378 26.1247 0.0290913 22.8485 2.42218 26.7089 TIMING: 2139200 CPU: 6684.46, 0.00310149/step Wall: 6684.46, 0.00310149/step, 2.46465 hours remaining, 233.742188 MB of memory in use. ENERGY: 2139200 4086.3060 20493.1958 14527.7025 267.3150 -203242.3070 2632.6531 0.0000 0.0000 52040.7671 -109194.3675 299.0790 -161235.1345 -108838.4684 299.2788 -55.3838 -34.4593 762771.2177 6.5537 6.5153 PRESSURE: 2139400 324.721 61.959 -11.7657 61.9588 -226.886 -118.492 -11.7656 -118.494 -97.522 GPRESSURE: 2139400 286.932 62.8876 -72.4305 -93.385 -185.609 -60.5471 -54.5513 -103.063 -9.47405 PRESSAVG: 2139400 -33.7876 -53.444 -0.941863 -53.444 13.8559 27.0635 -0.941841 27.0634 -7.91742 GPRESSAVG: 2139400 -32.7026 -54.5359 0.334357 -53.7022 12.9241 26.5933 -2.23287 23.8795 -8.40366 TIMING: 2139400 CPU: 6685.08, 0.00311488/step Wall: 6685.08, 0.00311488/step, 2.47512 hours remaining, 233.742188 MB of memory in use. ENERGY: 2139400 4017.5814 20509.8674 14448.5001 244.0540 -203360.0727 2735.2473 0.0000 0.0000 52114.6175 -109290.2051 299.5034 -161404.8226 -108916.2273 299.7290 0.1045 30.6161 761109.0886 -9.2830 -9.3941 PRESSURE: 2139600 -108.99 76.3931 2.18654 76.394 -49.0247 -86.6514 2.18724 -86.6514 -36.2375 GPRESSURE: 2139600 -89.1722 67.7519 -36.7492 6.24575 -12.8654 -172.339 147.332 -97.2149 -15.2694 PRESSAVG: 2139600 44.6915 -25.2318 -36.9604 -25.2318 -25.798 -24.4003 -36.9604 -24.4003 17.5227 GPRESSAVG: 2139600 44.4957 -24.0395 -36.5704 -24.4666 -27.2919 -25.0341 -34.9132 -20.1527 18.8531 TIMING: 2139600 CPU: 6685.7, 0.00309809/step Wall: 6685.7, 0.00309809/step, 2.4616 hours remaining, 233.742188 MB of memory in use. ENERGY: 2139600 4018.8626 20660.8811 14508.2554 249.5743 -203371.8501 2393.7304 0.0000 0.0000 52180.9584 -109359.5879 299.8847 -161540.5463 -108994.7034 299.4626 -64.7508 -39.1023 761521.9895 12.1387 12.0189 PRESSURE: 2139800 115.182 1.83239 -47.0663 1.83257 -581.605 -161.037 -47.0662 -161.038 91.9857 GPRESSURE: 2139800 65.0625 86.4968 -18.1589 55.1287 -398.77 -182.944 -16.8142 -119.1 20.5316 PRESSAVG: 2139800 32.3594 11.8636 8.66864 11.8635 -12.846 -5.68029 8.6686 -5.68034 7.97686 GPRESSAVG: 2139800 33.1661 8.83805 8.09223 12.6573 -10.4749 -2.95089 8.90795 -7.80183 4.88564 TIMING: 2139800 CPU: 6686.32, 0.00308771/step Wall: 6686.32, 0.00308771/step, 2.45319 hours remaining, 233.742188 MB of memory in use. ENERGY: 2139800 3997.9798 20737.3035 14571.4355 254.8773 -203612.8534 2771.6384 0.0000 0.0000 52078.0122 -109201.6067 299.2931 -161279.6189 -108843.7395 299.6761 -124.8125 -104.3919 761127.9460 9.1634 9.1923 PRESSURE: 2140000 368.903 -58.1528 114.456 -58.1525 213.858 -185.815 114.456 -185.815 14.7914 GPRESSURE: 2140000 283.578 94.8649 190.366 -45.99 395.585 -107.475 -64.9935 -83.4923 8.80083 PRESSAVG: 2140000 -1.43811 10.1505 -15.3057 10.1506 -28.3475 10.4063 -15.3057 10.4063 26.4744 GPRESSAVG: 2140000 -2.54966 12.5622 -16.045 11.425 -27.7806 11.511 -16.7893 11.0196 26.9965 TIMING: 2140000 CPU: 6686.94, 0.00310675/step Wall: 6686.94, 0.00310675/step, 2.46814 hours remaining, 233.742188 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: 2140000 3961.8477 20627.1628 14456.9096 241.4606 -203751.0060 2935.9942 0.0000 0.0000 52160.2798 -109367.3512 299.7658 -161527.6310 -109003.0187 299.0721 199.1841 229.3213 761192.9495 -1.1037 -1.1112 PRESSURE: 2140200 -88.5769 33.8731 -44.1987 33.8727 140.07 199.079 -44.199 199.08 -266.556 GPRESSURE: 2140200 -74.4527 26.0381 -52.9092 6.09354 169.024 168.607 -33.7873 180.443 -210.229 PRESSAVG: 2140200 -13.9004 30.9921 -24.9019 30.9921 7.15054 -13.3037 -24.9019 -13.3037 15.5192 GPRESSAVG: 2140200 -15.0166 30.5284 -24.7758 28.0635 6.79042 -15.8827 -25.6719 -13.0876 17.6119 TIMING: 2140200 CPU: 6687.56, 0.00310005/step Wall: 6687.56, 0.00310005/step, 2.46265 hours remaining, 233.742188 MB of memory in use. ENERGY: 2140200 4002.9816 20382.5349 14460.6721 257.4128 -203058.0331 2608.5128 0.0000 0.0000 51844.8381 -109501.0808 297.9530 -161345.9189 -109138.8514 299.1998 -71.6874 -38.5526 762643.3966 2.9231 3.1286 LDB: ============= START OF LOAD BALANCING ============== 6700.04 LDB: ============== END OF LOAD BALANCING =============== 6700.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6700.04 LDB: ============= START OF LOAD BALANCING ============== 6700.35 LDB: Largest compute 7058 load 0.031695 is 16.2% of average load 0.195066 LDB: Average compute 0.004382 is 2.2% of average load 0.195066 LDB: TIME 6700.35 LOAD: AVG 0.195066 MAX 0.21757 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 6700.35 LOAD: AVG 0.195066 MAX 0.21757 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.457 MB LDB: TIME 6700.35 LOAD: AVG 0.195066 MAX 0.21757 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.457 MB LDB: ============== END OF LOAD BALANCING =============== 6700.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6700.36 PRESSURE: 2140400 61.765 55.1272 -91.2134 55.1271 207.909 -30.0431 -91.2132 -30.0431 -120.639 GPRESSURE: 2140400 134.299 -11.314 -107.829 50.7454 239.28 8.31531 -54.5264 48.0598 -140.025 PRESSAVG: 2140400 12.4358 -12.7723 -42.8263 -12.7723 67.4271 -34.1833 -42.8263 -34.1835 -9.46804 GPRESSAVG: 2140400 12.6583 -13.6761 -41.3737 -10.9106 67.3406 -33.7283 -41.4665 -33.1359 -9.6505 TIMING: 2140400 CPU: 6688.19, 0.00315401/step Wall: 6688.19, 0.00315401/step, 2.50533 hours remaining, 234.253906 MB of memory in use. ENERGY: 2140400 3943.6695 20448.2555 14414.4586 263.4269 -203696.8422 3036.9566 0.0000 0.0000 52021.7721 -109568.3030 298.9698 -161590.0752 -109201.5371 298.4512 49.6783 77.8512 762423.2427 23.4649 23.4495 PRESSURE: 2140600 -566.341 -188.478 -14.7794 -188.477 -169.412 82.4852 -14.7797 82.4847 223.216 GPRESSURE: 2140600 -393.897 -155.633 -17.824 -292.806 -251.532 82.5955 36.8954 81.4936 223.527 PRESSAVG: 2140600 26.7422 -45.1717 16.3185 -45.1717 -34.488 18.2393 16.3184 18.2393 37.6665 GPRESSAVG: 2140600 28.5058 -43.9247 13.7441 -46.4783 -35.6747 18.3413 17.7055 15.773 37.3831 TIMING: 2140600 CPU: 6688.82, 0.003123/step Wall: 6688.82, 0.00312301/step, 2.48053 hours remaining, 234.253906 MB of memory in use. ENERGY: 2140600 3941.2151 20560.6858 14490.3873 240.5578 -203474.4249 2770.6571 0.0000 0.0000 51931.3530 -109539.5689 298.4502 -161470.9218 -109183.8401 298.5891 -170.8457 -140.6339 762649.3386 9.9736 10.0714 PRESSURE: 2140800 55.3936 -98.1602 11.8073 -98.161 207.17 -14.5688 11.8079 -14.5684 112.497 GPRESSURE: 2140800 57.9816 -60.0697 -70.5655 -124.659 318.386 -42.2975 101.394 45.5835 91.5805 PRESSAVG: 2140800 9.12845 -3.42585 -47.7577 -3.42586 -14.4785 65.9426 -47.7578 65.9426 20.7168 GPRESSAVG: 2140800 7.85492 -3.80777 -46.434 -2.07859 -12.8744 65.039 -48.6523 66.6528 20.1143 TIMING: 2140800 CPU: 6689.45, 0.00314823/step Wall: 6689.45, 0.00314823/step, 2.50039 hours remaining, 234.253906 MB of memory in use. ENERGY: 2140800 4094.7018 20445.5520 14434.7661 261.0339 -203296.9069 2882.5584 0.0000 0.0000 51790.7338 -109387.5609 297.6421 -161178.2947 -109039.4632 298.5543 125.0202 155.9828 761721.7222 5.1222 5.0316 PRESSURE: 2141000 119.761 -65.8474 7.0509 -65.8471 151.083 115.397 7.05149 115.397 280.414 GPRESSURE: 2141000 127.849 -155.759 15.7007 134.005 226.913 193.078 -20.2416 142.647 275.89 PRESSAVG: 2141000 2.15197 26.1318 -28.7545 26.1318 -29.6416 -8.05261 -28.7545 -8.05263 11.0889 GPRESSAVG: 2141000 1.52767 27.4362 -29.6866 25.9693 -29.7581 -8.40181 -28.5953 -7.03921 11.9 TIMING: 2141000 CPU: 6690.07, 0.00310856/step Wall: 6690.07, 0.00310855/step, 2.46871 hours remaining, 234.253906 MB of memory in use. ENERGY: 2141000 4028.8726 20426.0175 14426.4886 224.8240 -203695.0410 3381.5955 0.0000 0.0000 52184.8162 -109022.4267 299.9069 -161207.2429 -108683.8268 299.2012 183.7527 210.2172 764025.6433 -5.4669 -5.4435 PRESSURE: 2141200 -77.8491 -62.1994 -54.3092 -62.2003 -143.201 -161.419 -54.3103 -161.419 -62.6226 GPRESSURE: 2141200 -19.7355 -31.0553 -23.5541 -10.7907 -107.808 -256.386 -116.303 -191.495 -74.6261 PRESSAVG: 2141200 -34.5497 -7.30304 -33.2769 -7.30299 36.1475 -9.59026 -33.277 -9.59031 -2.52873 GPRESSAVG: 2141200 -33.0626 -5.88814 -32.441 -8.55472 34.687 -8.94335 -34.7305 -11.2002 -2.7184 TIMING: 2141200 CPU: 6690.69, 0.00310573/step Wall: 6690.69, 0.00310573/step, 2.4663 hours remaining, 234.253906 MB of memory in use. ENERGY: 2141200 3986.9879 20401.6360 14439.0075 237.0557 -202987.8650 2589.1641 0.0000 0.0000 52028.9406 -109305.0732 299.0110 -161334.0138 -108934.7367 298.8341 -94.5575 -67.3899 763112.7926 -0.3103 -0.3646 PRESSURE: 2141400 -316.633 -42.6884 -40.7669 -42.6884 170.421 -8.01234 -40.7667 -8.01259 -167.751 GPRESSURE: 2141400 -300.018 7.60266 -181.747 67.7337 164.576 48.6113 29.6623 95.2179 -104.155 PRESSAVG: 2141400 -49.4641 15.0057 -74.2713 15.0056 51.0116 -40.526 -74.2713 -40.5259 10.3994 GPRESSAVG: 2141400 -49.4802 13.529 -73.8396 16.591 51.7146 -40.5699 -72.4572 -39.281 10.0268 TIMING: 2141400 CPU: 6691.31, 0.00310671/step Wall: 6691.31, 0.00310671/step, 2.4669 hours remaining, 234.253906 MB of memory in use. ENERGY: 2141400 3911.0722 20486.0327 14466.2334 262.4274 -203302.6206 2785.2880 0.0000 0.0000 51786.8340 -109604.7330 297.6196 -161391.5670 -109244.3156 298.5517 -104.6544 -79.8658 763138.7027 3.9823 4.0871 PRESSURE: 2141600 -249.211 -1.60972 -420.304 -1.6098 -439.619 -162.196 -420.304 -162.196 -206.572 GPRESSURE: 2141600 -289.169 -59.1494 -347.04 6.82402 -228.445 -183.418 -323.735 -203.061 -293.792 PRESSAVG: 2141600 -12.8762 -1.32631 -7.34108 -1.32631 28.3246 -63.8993 -7.34104 -63.8993 -16.7478 GPRESSAVG: 2141600 -13.2701 -1.06516 -8.70267 -3.31929 28.4689 -63.3113 -6.43884 -62.9829 -16.2873 TIMING: 2141600 CPU: 6691.93, 0.00311898/step Wall: 6691.93, 0.00311898/step, 2.47647 hours remaining, 234.253906 MB of memory in use. ENERGY: 2141600 3971.8469 20408.2221 14492.1125 245.7602 -203042.9729 2369.6166 0.0000 0.0000 52161.6206 -109393.7941 299.7736 -161555.4147 -109038.3381 298.5669 -298.4670 -270.4687 762003.8580 -0.4332 -0.3628 PRESSURE: 2141800 -350.825 495.01 37.234 495.011 -276.026 -67.007 37.2338 -67.007 171.143 GPRESSURE: 2141800 -229.211 400.173 -22.371 394.384 -296.595 -128.023 -72.5868 -35.1188 171.373 PRESSAVG: 2141800 -7.52628 46.3815 -31.1354 46.3816 26.6355 -24.4027 -31.1354 -24.4026 15.5142 GPRESSAVG: 2141800 -8.33979 43.578 -29.9405 48.652 27.688 -27.0456 -32.6105 -25.769 15.235 TIMING: 2141800 CPU: 6692.56, 0.00312652/step Wall: 6692.56, 0.00312652/step, 2.48229 hours remaining, 234.253906 MB of memory in use. ENERGY: 2141800 3921.6453 20491.3964 14482.1667 258.6024 -203185.8827 2472.7855 0.0000 0.0000 51973.6116 -109585.6748 298.6931 -161559.2864 -109220.1644 298.6833 -151.9027 -118.1443 761506.3317 11.5411 11.5277 PRESSURE: 2142000 -394.903 1.9168 -137.027 1.91645 -714.454 -52.3814 -137.028 -52.3811 -569.647 GPRESSURE: 2142000 -355.978 -3.0846 -186.024 5.79121 -721.33 -40.1116 -175.622 12.9124 -526.788 PRESSAVG: 2142000 5.41077 1.91187 -20.4077 1.91185 -1.16461 3.66673 -20.4077 3.66664 14.0346 GPRESSAVG: 2142000 5.85067 2.02342 -20.5479 2.89015 -1.20888 5.51636 -21.5908 2.72472 13.7338 TIMING: 2142000 CPU: 6693.18, 0.00311169/step Wall: 6693.18, 0.00311169/step, 2.47034 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2142000 4051.4788 20552.8296 14431.5555 243.2818 -203245.1622 2557.9916 0.0000 0.0000 51783.3092 -109624.7155 297.5994 -161408.0247 -109270.6786 298.3562 -559.6679 -534.6989 761835.1337 6.0936 6.1252 PRESSURE: 2142200 -98.8031 27.695 -178.935 27.6944 100.084 64.5174 -178.934 64.5173 -238.026 GPRESSURE: 2142200 -26.6572 99.5531 -131.43 9.99091 169.259 -81.6648 -168.79 77.5389 -309.061 PRESSAVG: 2142200 -38.9891 21.7058 3.26667 21.7058 20.5688 22.5476 3.26675 22.5476 8.63895 GPRESSAVG: 2142200 -38.2869 25.5027 3.83817 20.9458 20.2612 22.7 4.19404 23.4372 8.37808 TIMING: 2142200 CPU: 6693.8, 0.00310127/step Wall: 6693.8, 0.00310127/step, 2.46189 hours remaining, 234.253906 MB of memory in use. ENERGY: 2142200 3981.6965 20633.4578 14422.7263 241.6807 -203739.1817 2851.6549 0.0000 0.0000 51994.1575 -109613.8080 298.8111 -161607.9655 -109250.4907 298.8347 -78.9150 -55.4865 759911.9581 -3.2604 -3.2159 PRESSURE: 2142400 -394.308 229.734 -196.411 229.734 -102.426 97.0407 -196.412 97.0409 374.853 GPRESSURE: 2142400 -289.979 136.458 -175.898 127.436 -199.893 77.2825 -324.53 94.1285 464.055 PRESSAVG: 2142400 -26.6809 -18.5458 -19.1469 -18.5458 14.3514 -7.90466 -19.147 -7.90473 15.4954 GPRESSAVG: 2142400 -26.5117 -20.664 -20.5194 -19.8618 13.5445 -7.05056 -18.4142 -7.198 16.3037 TIMING: 2142400 CPU: 6694.42, 0.00311162/step Wall: 6694.42, 0.00311162/step, 2.46994 hours remaining, 234.253906 MB of memory in use. ENERGY: 2142400 4015.6345 20444.3647 14513.9190 269.7679 -203276.7133 2698.7682 0.0000 0.0000 51770.1467 -109564.1123 297.5237 -161334.2590 -109202.7294 298.4545 -40.6269 -8.6055 761830.5703 1.0553 1.1122 PRESSURE: 2142600 91.9516 72.766 428.948 72.7661 -326.692 57.5076 428.948 57.5073 -238.356 GPRESSURE: 2142600 141.7 -66.3863 467.272 73.9 -267.804 121.257 292.536 18.3941 -268.138 PRESSAVG: 2142600 -57.41 -2.77318 8.1243 -2.77321 68.6399 8.62886 8.12426 8.62885 -4.72359 GPRESSAVG: 2142600 -57.549 -4.69717 7.95961 -1.42225 69.1994 7.93547 7.76427 7.57607 -5.36641 TIMING: 2142600 CPU: 6695.04, 0.00310205/step Wall: 6695.04, 0.00310205/step, 2.46216 hours remaining, 234.253906 MB of memory in use. ENERGY: 2142600 3964.1889 20676.4466 14538.7183 272.8820 -203533.0759 2881.7469 0.0000 0.0000 51866.9473 -109332.1458 298.0801 -161199.0931 -108974.3191 298.9676 -157.6989 -131.4142 762463.5960 2.1688 2.0947 PRESSURE: 2142800 -229.707 -89.8583 -29.6701 -89.8579 382.571 -26.4671 -29.67 -26.4667 52.3272 GPRESSURE: 2142800 -171.49 -50.1121 -7.43178 -173.299 365.035 -6.0918 -52.6529 -68.7615 92.4864 PRESSAVG: 2142800 26.2221 -11.722 -46.9196 -11.722 -35.9699 -37.7852 -46.9196 -37.7851 17.0294 GPRESSAVG: 2142800 25.9595 -11.5648 -45.8143 -13.3448 -37.1586 -37.7842 -46.027 -37.8308 18.6611 TIMING: 2142800 CPU: 6695.67, 0.00311358/step Wall: 6695.67, 0.00311358/step, 2.47115 hours remaining, 234.253906 MB of memory in use. ENERGY: 2142800 4009.8764 20564.2758 14448.7951 242.6536 -202918.7726 2424.4970 0.0000 0.0000 52008.3241 -109220.3505 298.8926 -161228.6746 -108860.2189 299.1145 68.3971 95.3438 763421.0518 2.4272 2.4873 PRESSURE: 2143000 198.268 -48.8666 0.256622 -48.8668 -105.446 -267.047 0.257467 -267.047 289.875 GPRESSURE: 2143000 232.389 -27.2146 -35.5836 -5.82324 -91.2712 -160.135 -109.303 -228.713 316.048 PRESSAVG: 2143000 -6.86409 -38.7351 -54.7604 -38.7351 -53.4467 27.9961 -54.7604 27.9961 -16.3693 GPRESSAVG: 2143000 -7.00205 -38.3035 -56.2923 -36.4746 -53.2039 27.7629 -55.9046 28.5834 -16.4163 TIMING: 2143000 CPU: 6696.29, 0.00311599/step Wall: 6696.29, 0.00311599/step, 2.47288 hours remaining, 234.253906 MB of memory in use. ENERGY: 2143000 4065.1514 20457.1088 14488.5001 247.6686 -203131.6602 2671.9726 0.0000 0.0000 52046.2689 -109154.9898 299.1106 -161201.2587 -108792.9744 299.6939 127.5654 152.3884 761811.1629 -25.5600 -25.5408 PRESSURE: 2143200 -171.173 151.645 -100.226 151.644 -156.915 144.597 -100.226 144.597 14.2721 GPRESSURE: 2143200 -82.2739 181.506 -111.135 148.901 -138.524 92.3077 -46.1959 95.8114 -18.4789 PRESSAVG: 2143200 40.5311 -45.0253 -34.4376 -45.0254 -57.8509 15.5931 -34.4376 15.5932 -7.62117 GPRESSAVG: 2143200 41.4959 -46.7234 -34.4501 -46.4372 -57.8475 15.3179 -35.776 15.436 -8.10701 TIMING: 2143200 CPU: 6696.91, 0.00307739/step Wall: 6696.91, 0.00307739/step, 2.44208 hours remaining, 234.253906 MB of memory in use. ENERGY: 2143200 3939.2282 20570.8854 14458.7195 255.3426 -202886.3483 2428.1682 0.0000 0.0000 51995.3513 -109238.6531 298.8180 -161234.0044 -108881.4811 299.3525 -104.6052 -79.7588 762342.1196 -8.3137 -8.1529 PRESSURE: 2143400 -363.419 86.5248 58.2531 86.5257 -319.852 14.6324 58.2527 14.6322 -46.681 GPRESSURE: 2143400 -234.868 101.805 -5.73927 101.469 -310.113 -58.2933 265.614 88.4753 -97.7821 PRESSAVG: 2143400 -0.378031 38.3377 -49.5775 38.3377 -31.2607 -19.8064 -49.5776 -19.8064 -10.0198 GPRESSAVG: 2143400 -1.8222 41.1174 -49.2788 37.7702 -30.0316 -19.1022 -48.8796 -19.1535 -10.3093 TIMING: 2143400 CPU: 6697.52, 0.00309292/step Wall: 6697.52, 0.00309292/step, 2.45423 hours remaining, 234.253906 MB of memory in use. ENERGY: 2143400 4005.1437 20608.2557 14440.1892 236.3477 -202670.1968 2264.4143 0.0000 0.0000 52078.0611 -109037.7852 299.2933 -161115.8463 -108671.1394 299.5432 -243.3172 -214.2547 762134.2402 -13.8862 -14.0544 PRESSURE: 2143600 91.3197 18.4119 -35.0402 18.4128 -157.982 -167.512 -35.041 -167.512 -301.468 GPRESSURE: 2143600 112.413 -16.3499 -15.1051 35.9651 -101.266 -180.147 -46.978 -53.912 -272.872 PRESSAVG: 2143600 -23.5769 -30.0741 -48.4782 -30.0741 12.021 -40.7068 -48.4782 -40.7069 -2.38587 GPRESSAVG: 2143600 -23.4635 -31.114 -48.7605 -28.9809 11.9512 -40.9218 -47.9482 -40.4896 -2.02969 TIMING: 2143600 CPU: 6698.14, 0.00309104/step Wall: 6698.14, 0.00309104/step, 2.45257 hours remaining, 234.253906 MB of memory in use. ENERGY: 2143600 3977.6594 20537.6860 14478.2130 262.5825 -203281.2702 2794.3846 0.0000 0.0000 51968.8350 -109261.9097 298.6656 -161230.7447 -108896.0149 299.6778 -122.7102 -87.2415 761785.7708 -4.6473 -4.5140 PRESSURE: 2143800 107.152 71.9379 -105.239 71.9371 -165.711 97.9824 -105.239 97.9825 110.475 GPRESSURE: 2143800 -7.97454 74.536 -80.2513 26.5417 -34.8051 130.548 -27.7265 99.4248 182.617 PRESSAVG: 2143800 -9.22956 -37.8965 -10.2487 -37.8965 0.334957 -9.96322 -10.2487 -9.9632 2.37679 GPRESSAVG: 2143800 -8.89999 -39.5757 -9.77483 -37.4125 -0.992989 -11.0515 -9.83451 -9.18002 3.05324 TIMING: 2143800 CPU: 6698.76, 0.00307766/step Wall: 6698.76, 0.00307766/step, 2.44178 hours remaining, 234.253906 MB of memory in use. ENERGY: 2143800 4010.4515 20579.6302 14477.3849 247.9445 -203736.3827 3027.0646 0.0000 0.0000 52176.4228 -109217.4842 299.8586 -161393.9070 -108853.2770 299.3952 17.3054 46.6126 759988.7305 -2.1726 -2.2799 PRESSURE: 2144000 -126.59 -68.5232 -268.896 -68.5225 120.542 82.1955 -268.897 82.1954 292.979 GPRESSURE: 2144000 -145.34 18.7183 -267.568 -132.208 187.176 11.329 -303.7 48.6061 316.788 PRESSAVG: 2144000 -12.3404 -17.1378 -45.4048 -17.1378 -16.9693 0.0543418 -45.4048 0.0543338 -5.17457 GPRESSAVG: 2144000 -12.2467 -17.016 -44.2152 -18.1197 -16.2372 -0.319632 -46.708 -0.76718 -5.86425 TIMING: 2144000 CPU: 6699.38, 0.00311599/step Wall: 6699.38, 0.00311599/step, 2.47202 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2144000 3910.9661 20731.9568 14468.4882 230.8075 -203362.4353 2709.6629 0.0000 0.0000 52012.4122 -109298.1416 298.9160 -161310.5538 -108946.5576 299.8220 95.6436 119.5414 761013.9795 -11.4948 -11.4494 PRESSURE: 2144200 -209.958 -130.32 -111.804 -130.32 -417.196 99.7662 -111.804 99.7661 89.6728 GPRESSURE: 2144200 -109.709 -71.6746 -145.397 -132.008 -401.844 53.1703 -204.298 154.909 40.5788 PRESSAVG: 2144200 5.02332 -30.1905 -61.7392 -30.1906 25.7909 -32.9851 -61.7392 -32.985 3.63909 GPRESSAVG: 2144200 4.36912 -26.6944 -63.2252 -31.2043 26.6254 -31.1597 -59.9003 -36.2529 3.65797 TIMING: 2144200 CPU: 6700.01, 0.00311923/step Wall: 6700.01, 0.00311923/step, 2.47442 hours remaining, 234.253906 MB of memory in use. ENERGY: 2144200 4067.0578 20563.5027 14418.4168 270.6076 -203352.5216 2625.6422 0.0000 0.0000 52025.9610 -109381.3335 298.9939 -161407.2945 -109023.6648 299.2570 -179.1603 -156.9911 760534.7390 11.4844 11.5508 LDB: ============= START OF LOAD BALANCING ============== 6712.48 LDB: ============== END OF LOAD BALANCING =============== 6712.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6712.49 LDB: ============= START OF LOAD BALANCING ============== 6712.8 LDB: Largest compute 7006 load 0.028499 is 14.6% of average load 0.195135 LDB: Average compute 0.004377 is 2.2% of average load 0.195135 LDB: TIME 6712.8 LOAD: AVG 0.195135 MAX 0.214919 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.023 MB LDB: TIME 6712.8 LOAD: AVG 0.195135 MAX 0.214919 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.023 MB LDB: TIME 6712.8 LOAD: AVG 0.195135 MAX 0.214919 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.023 MB LDB: ============== END OF LOAD BALANCING =============== 6712.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6712.81 PRESSURE: 2144400 -52.7042 96.5129 165.099 96.5127 -138.93 -368.627 165.098 -368.628 44.8107 GPRESSURE: 2144400 8.58221 15.051 137.595 17.1128 -164.296 -247.562 45.7281 -222.428 72.136 PRESSAVG: 2144400 19.6728 -0.471218 -11.7628 -0.471189 -17.8438 -7.012 -11.7628 -7.01207 21.3893 GPRESSAVG: 2144400 20.7695 -2.57467 -11.1679 1.3356 -17.8611 -7.18422 -14.6993 -3.49114 20.9648 TIMING: 2144400 CPU: 6700.64, 0.00318758/step Wall: 6700.64, 0.00318758/step, 2.52846 hours remaining, 234.687500 MB of memory in use. ENERGY: 2144400 4066.0757 20745.6201 14427.9300 229.8368 -203033.8894 2640.7829 0.0000 0.0000 51744.8925 -109178.7514 297.3786 -160923.6439 -108832.1787 299.2104 -48.9411 -27.8592 762562.1739 7.7394 7.9578 PRESSURE: 2144600 -135.335 -50.161 -175.048 -50.1607 325.189 -191.214 -175.049 -191.214 152.659 GPRESSURE: 2144600 -66.9384 17.2337 -148.099 -27.2659 387.425 -184.375 -24.466 -49.1713 104.343 PRESSAVG: 2144600 -16.559 0.853474 41.943 0.853427 -36.0927 10.1631 41.9429 10.1632 -0.687365 GPRESSAVG: 2144600 -16.1214 0.878646 43.3897 0.10912 -36.1487 10.3464 42.4154 11.002 -0.324631 TIMING: 2144600 CPU: 6701.26, 0.00310727/step Wall: 6701.26, 0.00310726/step, 2.46458 hours remaining, 234.886719 MB of memory in use. ENERGY: 2144600 4002.4867 20594.0369 14461.1004 247.1702 -203520.1012 2934.6560 0.0000 0.0000 52119.7213 -109160.9297 299.5328 -161280.6510 -108806.7402 298.9456 114.1710 141.6100 761166.7675 -17.7797 -17.5315 PRESSURE: 2144800 11.2696 -118.603 -101.326 -118.604 -44.7373 34.8377 -101.327 34.8367 -114.657 GPRESSURE: 2144800 54.4054 -173.295 -157.312 -104.167 -39.4162 30.5493 -144.032 12.809 -64.4633 PRESSAVG: 2144800 6.47431 35.1238 -21.286 35.1238 -27.8809 -30.2712 -21.286 -30.2711 8.30917 GPRESSAVG: 2144800 6.32652 35.151 -21.7875 35.1274 -28.1204 -31.9955 -18.5704 -31.7137 8.34507 TIMING: 2144800 CPU: 6701.89, 0.00312674/step Wall: 6701.89, 0.00312674/step, 2.47985 hours remaining, 234.886719 MB of memory in use. ENERGY: 2144800 4004.7361 20511.8962 14531.8164 238.5000 -203035.1308 2455.6507 0.0000 0.0000 52029.1571 -109263.3743 299.0123 -161292.5314 -108896.2226 299.4197 -49.3751 -16.4914 761036.7796 -4.3658 -4.4829 PRESSURE: 2145000 -184.406 121.283 -95.2642 121.283 -9.64759 -57.292 -95.2644 -57.2911 320.722 GPRESSURE: 2145000 -159.247 197.606 -26.1953 203.389 46.8695 -56.2806 -95.2902 -35.4268 332.963 PRESSAVG: 2145000 25.6795 12.8484 20.5482 12.8484 9.46203 2.94013 20.5482 2.94016 9.91226 GPRESSAVG: 2145000 25.5948 12.6065 19.7156 13.4625 9.6606 5.34558 18.0251 3.6801 9.99331 TIMING: 2145000 CPU: 6702.52, 0.00313977/step Wall: 6702.52, 0.00313977/step, 2.49001 hours remaining, 234.886719 MB of memory in use. ENERGY: 2145000 4029.1555 20356.7799 14534.4339 240.3276 -204006.6572 3279.1340 0.0000 0.0000 52125.8842 -109440.9422 299.5682 -161566.8264 -109079.7942 298.9703 42.2226 73.5288 761445.9440 15.0179 15.0829 PRESSURE: 2145200 107.336 21.3795 -71.0512 21.3793 43.5442 94.5128 -71.0505 94.5128 -230.212 GPRESSURE: 2145200 107.367 -47.2948 -8.7858 61.9019 63.5361 -4.04104 -5.05546 66.0389 -164.602 PRESSAVG: 2145200 -15.2373 -19.4143 15.2394 -19.4144 -45.2996 -0.851188 15.2395 -0.851182 -8.39915 GPRESSAVG: 2145200 -16.1804 -21.6809 14.6712 -19.8664 -45.3645 -1.87015 15.1643 -1.88236 -7.26871 TIMING: 2145200 CPU: 6703.14, 0.00313433/step Wall: 6703.14, 0.00313433/step, 2.48553 hours remaining, 234.886719 MB of memory in use. ENERGY: 2145200 3994.2404 20356.2049 14480.3444 268.3690 -203258.3578 2710.3243 0.0000 0.0000 52199.7124 -109249.1623 299.9925 -161448.8747 -108885.0358 299.2025 -26.4440 2.1004 761580.2103 -22.9787 -22.9379 PRESSURE: 2145400 -68.8947 59.6582 19.0205 59.6581 -101.179 -18.9746 19.0204 -18.9742 248.95 GPRESSURE: 2145400 -84.3746 -5.094 116.599 60.0803 -39.068 -9.60898 171.971 -109.742 285.581 PRESSAVG: 2145400 67.0231 15.6101 36.4638 15.6101 -32.0598 26.808 36.4637 26.8079 10.661 GPRESSAVG: 2145400 68.166 19.1438 37.6506 15.1004 -32.1307 26.9331 37.6601 27.8357 9.69422 TIMING: 2145400 CPU: 6703.77, 0.00311831/step Wall: 6703.77, 0.00311831/step, 2.47264 hours remaining, 234.886719 MB of memory in use. ENERGY: 2145400 4011.8561 20639.8945 14482.1917 245.1439 -203430.3864 2755.7224 0.0000 0.0000 52205.5802 -109089.9975 300.0262 -161295.5777 -108739.5547 299.7113 26.2918 54.0461 760752.2340 15.2081 15.2432 PRESSURE: 2145600 52.9564 201.177 110.757 201.178 -39.3521 -43.2945 110.757 -43.2936 326.221 GPRESSURE: 2145600 58.1095 181.208 237.718 235.718 -34.1069 5.70244 55.7637 -77.2576 412.998 PRESSAVG: 2145600 20.0185 26.3937 38.889 26.3937 -5.148 -13.821 38.8889 -13.821 -12.4787 GPRESSAVG: 2145600 19.8513 22.813 38.1547 26.7375 -4.7633 -14.2091 39.2697 -13.0005 -12.3181 TIMING: 2145600 CPU: 6704.39, 0.00311645/step Wall: 6704.39, 0.00311645/step, 2.471 hours remaining, 234.886719 MB of memory in use. ENERGY: 2145600 4092.9409 20515.4237 14500.0212 245.4975 -203347.2018 2792.7014 0.0000 0.0000 52004.4478 -109196.1693 298.8703 -161200.6171 -108834.5568 299.3939 113.2750 145.6669 761328.9797 0.7973 0.9233 PRESSURE: 2145800 -186.502 60.8832 -133.467 60.8831 -301.248 141.491 -133.467 141.491 -234.348 GPRESSURE: 2145800 -87.8673 102.73 -140.105 116.053 -251.413 70.9544 -141.314 129.932 -294.077 PRESSAVG: 2145800 -1.33542 22.9108 0.573381 22.9108 11.3401 21.0993 0.57341 21.0993 1.50846 GPRESSAVG: 2145800 -1.63146 27.0332 0.965984 22.1428 11.7943 23.1498 0.818449 19.0841 1.21143 TIMING: 2145800 CPU: 6705.01, 0.00309744/step Wall: 6705.01, 0.00309744/step, 2.45575 hours remaining, 234.886719 MB of memory in use. ENERGY: 2145800 3984.3188 20610.3378 14506.6423 216.4894 -202947.6402 2459.7481 0.0000 0.0000 52215.4369 -108954.6671 300.0828 -161170.1039 -108592.6234 299.3303 -240.6994 -211.1191 763427.6399 3.8377 3.7914 PRESSURE: 2146000 -3.85456 13.6042 -39.3911 13.6047 22.9737 186.073 -39.3906 186.074 -51.6192 GPRESSURE: 2146000 6.3216 7.57026 -65.9347 24.6269 -8.32962 111.937 -28.8526 228.877 61.8166 PRESSAVG: 2146000 -28.6642 -24.6586 -27.5061 -24.6586 8.2707 26.164 -27.5062 26.164 -0.292332 GPRESSAVG: 2146000 -28.2797 -27.6967 -28.1701 -23.385 6.07742 24.556 -28.2513 27.4979 1.25127 TIMING: 2146000 CPU: 6705.63, 0.00311739/step Wall: 6705.63, 0.00311739/step, 2.47139 hours remaining, 234.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2146000 4024.1996 20504.8767 14497.6623 236.4505 -203112.6672 2726.3442 0.0000 0.0000 52274.8527 -108848.2812 300.4243 -161123.1340 -108491.5143 300.0063 -10.8334 19.9362 762523.0991 -6.8953 -6.9837 PRESSURE: 2146200 235.668 -154.377 -205.745 -154.378 -53.7108 140.262 -205.746 140.262 -110.016 GPRESSURE: 2146200 185.147 -139.317 -213.02 -78.595 63.1505 242.607 -184.156 218.749 -100.361 PRESSAVG: 2146200 32.6778 -32.297 16.3716 -32.2971 -18.4036 24.8375 16.3716 24.8375 -7.43489 GPRESSAVG: 2146200 32.7229 -31.1797 16.2131 -33.0809 -18.1646 23.9596 15.341 25.8519 -7.64708 TIMING: 2146200 CPU: 6706.26, 0.00311661/step Wall: 6706.26, 0.00311661/step, 2.47061 hours remaining, 234.886719 MB of memory in use. ENERGY: 2146200 3958.8887 20512.3454 14586.6441 247.4424 -202919.8726 2596.5558 0.0000 0.0000 52268.8679 -108749.1283 300.3899 -161017.9962 -108384.3408 299.9343 23.9805 49.3123 762846.7861 2.2798 2.3037 PRESSURE: 2146400 -54.3116 -132.731 39.9363 -132.731 28.5983 207.331 39.9366 207.33 46.0957 GPRESSURE: 2146400 -56.0513 -138.509 -13.2008 -33.6819 77.1034 182.166 83.021 93.9998 83.067 PRESSAVG: 2146400 18.0374 -4.15518 8.14194 -4.15517 -40.5066 28.6735 8.14195 28.6734 7.08637 GPRESSAVG: 2146400 18.2523 -1.8798 8.42505 -3.21278 -38.8926 29.7903 9.00968 26.9376 5.81823 TIMING: 2146400 CPU: 6706.89, 0.00314389/step Wall: 6706.89, 0.0031439/step, 2.49206 hours remaining, 234.886719 MB of memory in use. ENERGY: 2146400 4037.3049 20481.1671 14509.0660 244.3519 -203143.5299 2683.3392 0.0000 0.0000 52042.3196 -109145.9813 299.0879 -161188.3009 -108783.3736 300.0708 6.7941 34.7063 762447.2405 -5.1276 -4.9407 PRESSURE: 2146600 127.102 123.392 -27.9822 123.392 -257.565 15.6057 -27.9823 15.6061 329.943 GPRESSURE: 2146600 188.186 140.838 -43.7445 163.655 -218.577 -45 -8.11641 164.426 315.299 PRESSAVG: 2146600 23.0043 -9.72422 -65.7365 -9.7242 -74.964 16.3013 -65.7364 16.3015 8.83835 GPRESSAVG: 2146600 23.8016 -9.91277 -65.6376 -11.7113 -75.4289 16.8037 -65.88 17.6729 8.67124 TIMING: 2146600 CPU: 6707.51, 0.00312238/step Wall: 6707.51, 0.00312238/step, 2.47484 hours remaining, 234.886719 MB of memory in use. ENERGY: 2146600 3914.7794 20515.3619 14524.3314 257.3147 -203282.6214 2759.3140 0.0000 0.0000 52182.3226 -109129.1975 299.8925 -161311.5201 -108773.2190 299.4432 66.4934 94.9690 762178.0009 -14.3738 -14.3187 PRESSURE: 2146800 114.202 73.051 175.618 73.051 392.582 -112.244 175.617 -112.245 385.04 GPRESSURE: 2146800 121.09 49.0147 85.4224 50.0204 408.844 -86.5201 43.4072 -54.7113 441.841 PRESSAVG: 2146800 -26.5353 -5.5324 -57.3446 -5.53243 -12.9116 54.7185 -57.3446 54.7186 -6.18475 GPRESSAVG: 2146800 -27.492 -5.86236 -58.976 -3.90108 -13.2004 53.8548 -58.5165 56.4078 -4.8917 TIMING: 2146800 CPU: 6708.13, 0.00310907/step Wall: 6708.13, 0.00310907/step, 2.46411 hours remaining, 234.886719 MB of memory in use. ENERGY: 2146800 3938.3593 20545.9596 14493.8968 266.8065 -203407.1542 2967.6599 0.0000 0.0000 52124.2365 -109070.2356 299.5587 -161194.4722 -108721.5254 299.4095 297.2746 323.9254 761937.5091 -15.2105 -15.1947 PRESSURE: 2147000 -16.8522 283.484 -103.864 283.483 -112.096 8.17304 -103.863 8.17323 3.76875 GPRESSURE: 2147000 114.507 176.888 -76.1369 190.974 -74.4568 -11.4186 -54.799 42.7276 -58.727 PRESSAVG: 2147000 -50.3511 -26.9253 -29.4949 -26.9253 50.1141 26.6649 -29.4949 26.6649 -7.00761 GPRESSAVG: 2147000 -49.6411 -26.7914 -27.6859 -26.8143 49.7705 26.1942 -28.0613 22.9791 -7.02322 TIMING: 2147000 CPU: 6708.75, 0.0031042/step Wall: 6708.75, 0.0031042/step, 2.46008 hours remaining, 234.886719 MB of memory in use. ENERGY: 2147000 4013.4346 20493.4062 14497.9180 265.2418 -203108.9699 2779.7899 0.0000 0.0000 52290.7615 -108768.4178 300.5157 -161059.1793 -108406.4843 299.6851 -41.7263 -6.2255 762068.1157 -2.4149 -2.2980 PRESSURE: 2147200 15.0042 -310.896 -68.5333 -310.896 74.7564 -81.9027 -68.5329 -81.9026 -486.657 GPRESSURE: 2147200 -81.7802 -222.538 40.7818 -281.939 167.302 -170.172 -188.238 -39.1925 -394.348 PRESSAVG: 2147200 -14.1717 -37.526 3.64195 -37.5259 32.5732 61.82 3.64197 61.82 -9.27482 GPRESSAVG: 2147200 -14.0405 -36.5729 4.8137 -40.0962 32.6547 62.6378 3.56636 62.8801 -9.5995 TIMING: 2147200 CPU: 6709.37, 0.00310293/step Wall: 6709.37, 0.00310293/step, 2.4589 hours remaining, 234.886719 MB of memory in use. ENERGY: 2147200 4023.8653 20750.9515 14418.6491 221.4604 -203332.0478 2865.0587 0.0000 0.0000 52046.0202 -109006.0424 299.1092 -161052.0626 -108651.7735 299.9786 -132.2987 -102.9423 762095.7971 3.0422 3.0049 PRESSURE: 2147400 18.6228 -152.833 58.5888 -152.834 370.068 10.4472 58.589 10.4478 254.449 GPRESSURE: 2147400 -1.7984 -33.5874 9.9143 -83.0891 383.407 49.3714 166.598 19.9816 336.499 PRESSAVG: 2147400 26.7896 -53.5062 28.2969 -53.5063 16.7189 0.996665 28.2969 0.996632 30.7225 GPRESSAVG: 2147400 24.3463 -54.0335 27.5658 -51.97 17.4677 2.41347 27.4473 0.928468 32.3845 TIMING: 2147400 CPU: 6709.99, 0.00309195/step Wall: 6709.99, 0.00309195/step, 2.45002 hours remaining, 234.886719 MB of memory in use. ENERGY: 2147400 4002.3739 20422.5336 14521.5176 239.7150 -203271.4579 2580.8492 0.0000 0.0000 52227.0749 -109277.3936 300.1497 -161504.4685 -108900.7844 299.5027 214.3802 239.3694 761981.7741 24.7437 24.7328 PRESSURE: 2147600 448.903 131.593 188.886 131.593 161.099 15.5153 188.886 15.5156 -80.7541 GPRESSURE: 2147600 569.269 106.327 197.625 49.7218 135.449 13.6995 202.097 29.6237 -98.2043 PRESSAVG: 2147600 12.3295 -42.6502 -6.28248 -42.6501 1.45768 -26.7891 -6.28245 -26.7892 21.5353 GPRESSAVG: 2147600 13.1029 -42.6762 -5.84115 -42.5622 1.61132 -28.4307 -5.91092 -26.1107 20.008 TIMING: 2147600 CPU: 6710.61, 0.00309644/step Wall: 6710.61, 0.00309644/step, 2.45341 hours remaining, 234.886719 MB of memory in use. ENERGY: 2147600 4029.2811 20651.5306 14412.8227 237.4325 -203343.0527 2958.2382 0.0000 0.0000 51873.7561 -109179.9915 298.1192 -161053.7475 -108815.4609 298.7545 176.4158 202.1713 760949.8722 11.7742 11.5741 PRESSURE: 2147800 -78.5627 -181.722 -47.1987 -181.722 272.603 -98.062 -47.1992 -98.0612 26.3223 GPRESSURE: 2147800 -50.0067 -118.958 -43.8978 -219.093 273.996 -172.173 46.3322 -51.324 68.2287 PRESSAVG: 2147800 24.1179 19.2285 -31.9882 19.2284 3.16819 -13.679 -31.9882 -13.679 -0.0454658 GPRESSAVG: 2147800 25.9191 18.8242 -31.4385 20.2929 2.5118 -13.5603 -30.8281 -15.703 -0.634319 TIMING: 2147800 CPU: 6711.23, 0.00310753/step Wall: 6711.23, 0.00310753/step, 2.46203 hours remaining, 234.886719 MB of memory in use. ENERGY: 2147800 3966.1748 20664.3045 14414.5196 251.3524 -203724.0462 2957.6871 0.0000 0.0000 52113.0143 -109356.9937 299.4942 -161470.0079 -108991.4769 299.6315 73.4544 97.4059 761363.6129 9.0802 9.2655 PRESSURE: 2148000 173.753 -109.985 -35.6293 -109.985 -64.2336 -143.903 -35.6298 -143.903 582.438 GPRESSURE: 2148000 229.864 -64.2057 -12.5385 2.19048 -50.9203 -123.531 -54.0511 -96.3806 595.752 PRESSAVG: 2148000 12.1581 -9.84288 -28.5477 -9.84283 -7.37046 -29.529 -28.5476 -29.529 -6.81246 GPRESSAVG: 2148000 12.7342 -10.8701 -28.7935 -10.3626 -8.06141 -30.9892 -27.5704 -27.8562 -6.62052 TIMING: 2148000 CPU: 6711.85, 0.00310549/step Wall: 6711.85, 0.00310549/step, 2.46024 hours remaining, 234.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2148000 4004.6318 20466.3663 14500.2798 255.9095 -203623.2296 2824.3310 0.0000 0.0000 52203.8694 -109367.8418 300.0164 -161571.7112 -109005.8847 299.2828 230.6524 258.2317 760198.5423 -0.6749 -0.6492 PRESSURE: 2148200 -78.9272 183.119 -86.0426 183.119 420.217 6.57155 -86.0429 6.57166 -78.2838 GPRESSURE: 2148200 -45.6043 106.076 -125.258 376.242 399.102 49.4121 -7.37161 -111.17 -0.842003 PRESSAVG: 2148200 7.25995 24.8996 -57.0698 24.8996 3.04697 21.1403 -57.0698 21.1403 -19.8394 GPRESSAVG: 2148200 6.37087 26.1251 -57.1721 23.4898 2.93614 23.4418 -58.4493 19.0027 -19.0637 TIMING: 2148200 CPU: 6712.47, 0.00309275/step Wall: 6712.47, 0.00309275/step, 2.44997 hours remaining, 234.886719 MB of memory in use. ENERGY: 2148200 4084.8600 20596.0381 14465.9316 239.4175 -203021.0872 2673.8169 0.0000 0.0000 51887.0503 -109073.9727 298.1956 -160961.0231 -108708.4238 298.9594 87.6686 117.5520 762684.6419 -3.1775 -3.2522 LDB: ============= START OF LOAD BALANCING ============== 6724.95 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6724.95 LDB: =============== DONE WITH MIGRATION ================ 6724.95 LDB: ============= START OF LOAD BALANCING ============== 6725.26 LDB: Largest compute 7078 load 0.029812 is 15.3% of average load 0.195155 LDB: Average compute 0.004392 is 2.3% of average load 0.195155 LDB: TIME 6725.26 LOAD: AVG 0.195155 MAX 0.221991 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.824 MB LDB: TIME 6725.26 LOAD: AVG 0.195155 MAX 0.221991 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.824 MB LDB: TIME 6725.27 LOAD: AVG 0.195155 MAX 0.21622 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.824 MB LDB: ============== END OF LOAD BALANCING =============== 6725.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6725.27 PRESSURE: 2148400 258.986 3.83729 -43.7112 3.83749 -256.831 252.947 -43.7108 252.946 -309.854 GPRESSURE: 2148400 255.693 -111.918 -99.0801 -58.8958 -286.568 226.705 -72.89 247.108 -205.783 PRESSAVG: 2148400 -52.281 -19.9429 -12.509 -19.9429 38.9862 4.22773 -12.509 4.22764 -3.95624 GPRESSAVG: 2148400 -53.5833 -23.5765 -13.7467 -19.6837 41.4679 2.85663 -12.4554 5.86862 -4.68004 TIMING: 2148400 CPU: 6713.11, 0.00316237/step Wall: 6713.11, 0.00316237/step, 2.50495 hours remaining, 235.023438 MB of memory in use. ENERGY: 2148400 4104.2655 20522.9054 14535.0140 226.1751 -203152.1099 2775.4390 0.0000 0.0000 52154.0440 -108834.2669 299.7300 -160988.3109 -108460.5465 299.8257 -102.5663 -78.8859 763293.3260 -5.7504 -5.5985 PRESSURE: 2148600 321.075 -133.315 240.64 -133.315 59.013 70.4699 240.64 70.4707 48.8763 GPRESSURE: 2148600 369.19 -39.6707 294.032 -151.058 68.3489 -48.4439 191.949 -38.5203 58.0478 PRESSAVG: 2148600 -12.2646 -64.1477 -4.28438 -64.1477 10.3171 26.7879 -4.28439 26.7879 4.9084 GPRESSAVG: 2148600 -12.065 -60.2817 -3.54193 -62.5773 10.1738 27.6191 -3.53348 26.4044 4.42611 TIMING: 2148600 CPU: 6713.72, 0.0030881/step Wall: 6713.72, 0.0030881/step, 2.44594 hours remaining, 235.089844 MB of memory in use. ENERGY: 2148600 4054.1224 20675.5134 14537.6847 248.0774 -203004.9313 2901.5234 0.0000 0.0000 51909.6224 -108678.3875 298.3253 -160588.0100 -108316.3975 300.0666 142.9881 165.1955 765099.0038 0.9870 0.8450 PRESSURE: 2148800 -223.292 -29.2044 -17.8959 -29.2042 -144.539 11.3404 -17.8953 11.3408 -257.091 GPRESSURE: 2148800 -122.842 -41.6416 -13.3446 -142.422 -173.571 54.271 120.931 -45.3431 -225.747 PRESSAVG: 2148800 39.9305 -21.8741 -17.5306 -21.8742 -30.251 -3.65984 -17.5306 -3.65975 -9.73001 GPRESSAVG: 2148800 42.223 -21.6419 -16.7523 -23.3782 -31.8934 -3.55738 -17.0059 -3.51851 -9.60344 TIMING: 2148800 CPU: 6714.34, 0.00309288/step Wall: 6714.34, 0.00309288/step, 2.44956 hours remaining, 235.089844 MB of memory in use. ENERGY: 2148800 4005.3417 20587.3243 14466.8428 244.2515 -203047.2867 2661.2147 0.0000 0.0000 52238.6023 -108843.7093 300.2160 -161082.3116 -108476.3719 300.2113 -208.3072 -174.0534 765864.9667 -0.0168 0.2421 PRESSURE: 2149000 -86.8963 11.9458 172.054 11.9455 -48.8303 -124.875 172.054 -124.875 11.2276 GPRESSURE: 2149000 -44.157 -2.94879 191.434 -50.8636 6.42757 -189.347 176.957 -69.2108 10.0088 PRESSAVG: 2149000 -19.2908 2.50508 14.1161 2.50496 -15.4312 24.4311 14.116 24.4312 4.45477 GPRESSAVG: 2149000 -21.6052 -0.0859992 14.2602 4.43333 -14.7949 24.2414 13.9921 24.3101 5.5874 TIMING: 2149000 CPU: 6714.96, 0.0030859/step Wall: 6714.96, 0.0030859/step, 2.44386 hours remaining, 235.089844 MB of memory in use. ENERGY: 2149000 3941.5102 20553.5318 14504.4053 265.1428 -203484.9453 2769.4460 0.0000 0.0000 52510.4286 -108940.4807 301.7782 -161450.9093 -108576.6847 300.1700 -41.4996 -9.2402 762448.5408 -10.0891 -10.2709 PRESSURE: 2149200 -711.208 -170.052 247.755 -170.052 -87.6713 203.16 247.755 203.159 -489.045 GPRESSURE: 2149200 -656.115 -318.302 257.953 -85.6339 -34.342 133.709 80.4659 95.788 -501.559 PRESSAVG: 2149200 -11.4831 23.0676 4.29525 23.0676 33.103 10.2125 4.29521 10.2125 1.43281 GPRESSAVG: 2149200 -10.4156 25.144 3.28476 23.0677 33.9926 10.7753 2.46881 10.8293 -0.0700988 TIMING: 2149200 CPU: 6715.58, 0.00310242/step Wall: 6715.58, 0.00310242/step, 2.45677 hours remaining, 235.089844 MB of memory in use. ENERGY: 2149200 4088.6177 20587.7070 14463.0183 259.6756 -203196.9717 2657.1155 0.0000 0.0000 52295.6380 -108845.1996 300.5438 -161140.8376 -108489.4974 299.9478 -429.3081 -397.3387 763610.2245 7.6842 7.8356 PRESSURE: 2149400 166.138 89.5087 121.958 89.5085 -337.143 -68.0803 121.958 -68.0796 145.652 GPRESSURE: 2149400 101.784 152.566 47.1372 87.2468 -191.928 -69.9804 106.737 -117.95 121.501 PRESSAVG: 2149400 -1.77208 48.1436 19.9542 48.1436 26.0675 55.3612 19.9542 55.3612 12.8736 GPRESSAVG: 2149400 0.0092577 46.3778 18.4286 47.0397 23.9352 55.681 21.6529 56.9435 13.714 TIMING: 2149400 CPU: 6716.2, 0.00309667/step Wall: 6716.2, 0.00309667/step, 2.45205 hours remaining, 235.089844 MB of memory in use. ENERGY: 2149400 3993.5791 20730.6813 14501.5121 242.0229 -203514.5204 3155.8560 0.0000 0.0000 52154.1629 -108736.7061 299.7307 -160890.8689 -108373.4754 300.4353 -8.4510 10.4523 762777.8853 12.3897 12.5528 PRESSURE: 2149600 -381.909 145.884 42.8011 145.883 -184.761 2.90708 42.8009 2.90718 -42.3318 GPRESSURE: 2149600 -239.979 139.786 -8.76941 159.158 -192.732 -122.746 85.3109 126.855 -107.098 PRESSAVG: 2149600 -35.6483 47.9343 9.06029 47.9343 -18.7241 16.4697 9.06025 16.4697 -19.3131 GPRESSAVG: 2149600 -37.6787 48.1306 10.7298 48.9341 -18.2459 14.0319 6.61174 15.8697 -18.0722 TIMING: 2149600 CPU: 6716.82, 0.00309398/step Wall: 6716.82, 0.00309398/step, 2.44975 hours remaining, 235.089844 MB of memory in use. ENERGY: 2149600 3983.7628 20604.0969 14434.9729 246.2267 -203252.1600 2823.8154 0.0000 0.0000 52451.2327 -108708.0525 301.4380 -161159.2852 -108337.9996 300.6347 -203.0004 -179.9363 764353.7980 -24.5618 -24.6656 PRESSURE: 2149800 332.066 -144.927 68.1919 -144.927 21.8173 268.071 68.1913 268.072 124.456 GPRESSURE: 2149800 377.736 -80.2126 97.0669 -168.356 25.9363 251.712 192.055 279.035 155.208 PRESSAVG: 2149800 9.4373 -17.161 12.682 -17.161 -33.7805 48.3491 12.6819 48.3491 -8.92597 GPRESSAVG: 2149800 10.3014 -18.4708 11.7049 -16.6201 -34.1819 50.5628 15.1547 47.1622 -8.39006 TIMING: 2149800 CPU: 6717.44, 0.00309668/step Wall: 6717.44, 0.00309668/step, 2.45171 hours remaining, 235.089844 MB of memory in use. ENERGY: 2149800 4063.0303 20578.2992 14486.4118 226.6028 -203306.3024 2964.6905 0.0000 0.0000 52252.8139 -108734.4538 300.2976 -160987.2676 -108368.6549 300.6894 159.4466 186.2935 763331.7470 -11.0897 -10.7569 PRESSURE: 2150000 -281.791 -164.286 -66.2282 -164.287 -250.431 -166.712 -66.2278 -166.713 -497.062 GPRESSURE: 2150000 -146.318 -160.844 -37.3025 -171.978 -286.82 -105.963 1.58092 -119.407 -504.335 PRESSAVG: 2150000 3.37962 -21.733 63.7948 -21.7329 13.959 11.0289 63.7948 11.0288 8.01691 GPRESSAVG: 2150000 2.36996 -19.7356 64.8851 -20.7654 16.3118 10.5022 64.386 12.7089 6.85337 TIMING: 2150000 CPU: 6718.06, 0.00309697/step Wall: 6718.06, 0.00309697/step, 2.45177 hours remaining, 235.089844 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: 2150000 3964.6202 20617.2159 14416.6793 254.4144 -202925.1132 2498.0373 0.0000 0.0000 52247.5948 -108926.5511 300.2676 -161174.1460 -108565.3559 300.2189 -343.0948 -312.4912 762758.9591 8.4518 8.5117 PRESSURE: 2150200 487.318 -27.4113 13.932 -27.4112 -48.86 192.905 13.932 192.904 118.882 GPRESSURE: 2150200 393.904 -82.1638 -83.35 10.0923 57.6444 188.353 -65.9954 122.618 200.919 PRESSAVG: 2150200 -19.7484 -14.4383 20.5854 -14.4382 -17.9507 -30.1726 20.5854 -30.1725 47.2289 GPRESSAVG: 2150200 -19.6532 -13.3754 20.6022 -16.8076 -18.1283 -30.2377 19.895 -30.4398 47.6181 TIMING: 2150200 CPU: 6718.68, 0.00309511/step Wall: 6718.68, 0.00309511/step, 2.45012 hours remaining, 235.089844 MB of memory in use. ENERGY: 2150200 3912.1669 20701.6472 14519.1853 258.7359 -203445.1910 2945.6134 0.0000 0.0000 52183.6023 -108924.2400 299.8999 -161107.8423 -108560.6414 299.8581 185.7803 217.4891 761312.2355 3.1766 3.2789 PRESSURE: 2150400 -392.138 -116.526 3.02222 -116.526 -120.499 82.4877 3.02204 82.4868 89.5038 GPRESSURE: 2150400 -328.556 -125.633 -59.9326 -113.605 -78.7304 161.732 -8.24734 94.7626 64.9193 PRESSAVG: 2150400 4.01132 -10.1572 18.5625 -10.1572 9.6062 27.2959 18.5625 27.2959 -15.7743 GPRESSAVG: 2150400 3.90749 -12.7782 17.525 -8.37615 8.16292 28.9724 18.8288 25.5398 -14.4686 TIMING: 2150400 CPU: 6719.3, 0.00310175/step Wall: 6719.3, 0.00310175/step, 2.45521 hours remaining, 235.089844 MB of memory in use. ENERGY: 2150400 4055.7748 20570.2081 14525.3692 243.3765 -202758.0293 2549.1021 0.0000 0.0000 52011.7259 -108802.4727 298.9121 -160814.1986 -108443.2938 299.9456 -141.0445 -114.1225 761970.8398 -0.7189 -0.7994 PRESSURE: 2150600 -49.6465 -161.767 22.2859 -161.768 -138.573 -53.5225 22.2859 -53.5242 -79.3335 GPRESSURE: 2150600 103.027 -211.516 41.7709 -219.07 -151.626 -31.2136 32.4018 -65.1939 -135.781 PRESSAVG: 2150600 -26.8045 -6.44026 12.1243 -6.44033 -6.18916 49.9214 12.1243 49.9213 7.17507 GPRESSAVG: 2150600 -26.2377 -5.32496 13.1416 -8.93144 -4.68114 48.4368 12.5523 50.2683 5.40426 TIMING: 2150600 CPU: 6719.92, 0.00310124/step Wall: 6719.92, 0.00310124/step, 2.45463 hours remaining, 235.089844 MB of memory in use. ENERGY: 2150600 4122.7544 20561.8012 14472.0820 246.3470 -202681.3215 2617.1268 0.0000 0.0000 52118.2466 -108542.9635 299.5243 -160661.2101 -108178.8162 300.0817 -89.1844 -61.4600 765182.4877 -8.6062 -8.5049 PRESSURE: 2150800 -335.547 138.578 139.653 138.577 -306.023 21.8107 139.652 21.8103 -427.982 GPRESSURE: 2150800 -358.463 14.1766 43.5895 212.334 -234.477 -27.9355 120.909 -54.5483 -397.632 PRESSAVG: 2150800 18.9973 22.2006 48.4546 22.2007 -51.8318 27.4076 48.4546 27.4077 -11.2083 GPRESSAVG: 2150800 19.9831 20.0776 47.2326 24.9401 -53.2994 26.8861 45.6973 27.4459 -10.3726 TIMING: 2150800 CPU: 6720.54, 0.00310477/step Wall: 6720.54, 0.00310477/step, 2.45725 hours remaining, 235.089844 MB of memory in use. ENERGY: 2150800 4014.0594 20686.3166 14416.2382 240.8427 -202732.2020 2686.0755 0.0000 0.0000 52258.5202 -108430.1494 300.3304 -160688.6696 -108064.9931 300.8813 -356.5174 -330.1908 763543.4552 -14.6809 -14.5629 PRESSURE: 2151000 172.593 -34.1689 -121.135 -34.1692 79.1669 -53.1427 -121.135 -53.1421 163.863 GPRESSURE: 2151000 144.024 -30.7101 -181.483 19.1553 166.106 -9.71107 11.665 -73.0858 192.277 PRESSAVG: 2151000 8.71679 -17.6036 47.3102 -17.6036 3.16361 -22.3581 47.3102 -22.3581 0.349333 GPRESSAVG: 2151000 7.1989 -16.9543 48.463 -18.8813 3.68988 -21.0265 50.5731 -21.8344 1.3431 TIMING: 2151000 CPU: 6721.16, 0.00312968/step Wall: 6721.16, 0.00312968/step, 2.47679 hours remaining, 235.089844 MB of memory in use. ENERGY: 2151000 3984.0137 20726.7750 14390.4123 248.0676 -203102.7429 2753.2076 0.0000 0.0000 52556.6304 -108443.6363 302.0437 -161000.2667 -108072.4426 301.5270 138.5411 167.4692 763156.9024 4.0766 4.0773 PRESSURE: 2151200 -367.939 -36.8377 100.482 -36.8378 -354.847 -80.46 100.483 -80.4605 -70.8162 GPRESSURE: 2151200 -252.371 -18.2364 117.128 -115.536 -458.609 -74.4769 145.211 -59.6632 -7.81621 PRESSAVG: 2151200 18.6013 -23.9794 -6.14186 -23.9795 -42.5476 7.95565 -6.14198 7.95558 13.4603 GPRESSAVG: 2151200 20.6466 -24.3584 -6.83245 -24.4381 -43.6772 8.85057 -7.59712 6.25019 12.6643 TIMING: 2151200 CPU: 6721.79, 0.00312221/step Wall: 6721.79, 0.00312221/step, 2.47071 hours remaining, 235.089844 MB of memory in use. ENERGY: 2151200 3980.7684 20634.5939 14473.8841 227.5934 -202729.4358 2436.5814 0.0000 0.0000 52183.8439 -108792.1707 299.9013 -160976.0146 -108425.8383 300.2908 -264.5340 -239.5987 762764.4537 -3.4953 -3.4554 PRESSURE: 2151400 -346.949 -49.7696 -21.5657 -49.7695 -210.2 -68.7655 -21.5644 -68.7671 -361.709 GPRESSURE: 2151400 -273.178 -95.089 -69.7684 -119.835 -167.809 44.9716 20.6137 -47.8153 -381.472 PRESSAVG: 2151400 3.41968 -18.8313 -5.83713 -18.8312 -17.6195 10.3855 -5.83708 10.3855 22.1272 GPRESSAVG: 2151400 3.04579 -19.2622 -5.3069 -19.1192 -16.9237 8.78787 -6.68843 11.8691 21.486 TIMING: 2151400 CPU: 6722.41, 0.00312663/step Wall: 6722.41, 0.00312663/step, 2.47403 hours remaining, 235.089844 MB of memory in use. ENERGY: 2151400 4033.4166 20406.6511 14571.7295 269.0727 -203098.5174 2718.2244 0.0000 0.0000 52271.0488 -108828.3744 300.4024 -161099.4232 -108459.6545 300.2064 -306.2860 -274.1530 763235.2693 2.6425 2.5360 PRESSURE: 2151600 197.942 -47.7626 32.1531 -47.7625 -271.355 129.627 32.1514 129.627 73.025 GPRESSURE: 2151600 175.22 -36.5691 28.6256 -28.4528 -161.51 69.4502 74.5754 89.3078 71.1716 PRESSAVG: 2151600 -2.32374 -14.1283 34.1396 -14.1284 21.4885 27.1392 34.1395 27.1391 1.24942 GPRESSAVG: 2151600 -3.48834 -11.1281 35.487 -13.4347 21.8352 28.3829 34.2812 26.3624 1.14221 TIMING: 2151600 CPU: 6723.03, 0.00310171/step Wall: 6723.03, 0.00310171/step, 2.45414 hours remaining, 235.089844 MB of memory in use. ENERGY: 2151600 4105.9722 20670.2956 14495.4208 243.1624 -203513.0522 2876.1524 0.0000 0.0000 52068.5699 -109053.4790 299.2388 -161122.0489 -108702.8227 300.1209 -0.1291 28.2938 761443.0523 6.8047 6.4963 PRESSURE: 2151800 491.363 -132.092 120.122 -132.092 17.9445 -51.0733 120.122 -51.0735 -49.5078 GPRESSURE: 2151800 507.557 -93.9555 176.902 -134.681 94.2442 67.6996 -152.372 -19.8853 -57.0262 PRESSAVG: 2151800 16.2056 -62.6891 50.267 -62.6892 -22.9283 3.69479 50.267 3.69476 -8.66561 GPRESSAVG: 2151800 16.7269 -62.1741 50.0059 -62.787 -23.9809 3.67552 49.4486 4.71444 -7.75977 TIMING: 2151800 CPU: 6723.66, 0.00312739/step Wall: 6723.66, 0.00312738/step, 2.47428 hours remaining, 235.089844 MB of memory in use. ENERGY: 2151800 4015.3217 20458.0043 14439.4674 244.6239 -203417.8006 2967.8776 0.0000 0.0000 52224.8588 -109067.6470 300.1370 -161292.5058 -108701.5095 299.6489 153.2664 181.5917 762413.9057 -5.1294 -5.0046 PRESSURE: 2152000 -293.862 -148.326 101.154 -148.326 -482.244 140.597 101.154 140.598 -402.711 GPRESSURE: 2152000 -244.844 -1.60207 17.7842 -124.827 -417.043 86.1587 103.076 113.764 -435.102 PRESSAVG: 2152000 -21.3048 -75.1761 0.460959 -75.176 22.1439 46.3671 0.460876 46.3671 -9.08708 GPRESSAVG: 2152000 -22.5995 -76.0867 -2.03744 -74.0627 23.1914 45.9584 1.15421 45.0802 -9.47943 TIMING: 2152000 CPU: 6724.28, 0.00311573/step Wall: 6724.28, 0.00311573/step, 2.46489 hours remaining, 235.089844 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: 2152000 4092.4015 20548.1738 14548.2838 256.1033 -202971.3622 2578.9245 0.0000 0.0000 51756.3908 -109191.0845 297.4447 -160947.4753 -108832.8870 298.9286 -392.9390 -365.6629 763072.2876 -2.7493 -2.9625 PRESSURE: 2152200 -81.3798 -14.4978 54.043 -14.4982 111.445 151.625 54.0429 151.625 6.27659 GPRESSURE: 2152200 -12.7927 -26.4556 68.53 -45.6372 136.529 30.8414 63.926 161.427 9.06218 PRESSAVG: 2152200 14.1711 -27.9234 34.6197 -27.9234 -32.2307 7.18234 34.6197 7.18246 -1.95725 GPRESSAVG: 2152200 15.8409 -29.1314 37.4784 -27.0861 -32.1069 7.56971 36.6441 5.39594 -3.15376 TIMING: 2152200 CPU: 6724.91, 0.00312955/step Wall: 6724.91, 0.00312955/step, 2.47565 hours remaining, 235.089844 MB of memory in use. ENERGY: 2152200 3987.3365 20526.1799 14453.8461 257.3388 -203669.2809 3185.3611 0.0000 0.0000 51925.0089 -109334.2096 298.4137 -161259.2185 -108972.2415 298.9512 12.1140 44.2662 762279.4329 -6.6723 -6.4733 LDB: ============= START OF LOAD BALANCING ============== 6737.39 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6737.39 LDB: =============== DONE WITH MIGRATION ================ 6737.39 LDB: ============= START OF LOAD BALANCING ============== 6737.7 LDB: Largest compute 7078 load 0.030092 is 15.4% of average load 0.195063 LDB: Average compute 0.004415 is 2.3% of average load 0.195063 LDB: TIME 6737.7 LOAD: AVG 0.195063 MAX 0.219245 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.742 MB LDB: TIME 6737.71 LOAD: AVG 0.195063 MAX 0.219245 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.742 MB LDB: TIME 6737.71 LOAD: AVG 0.195063 MAX 0.215034 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.742 MB LDB: ============== END OF LOAD BALANCING =============== 6737.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6737.71 PRESSURE: 2152400 -163.014 -101.436 -77.7489 -101.436 -134.727 44.6551 -77.7486 44.654 69.8036 GPRESSURE: 2152400 -153.552 -20.5495 -90.6593 -159.044 -97.5567 63.4737 -87.0221 -81.1855 105.106 PRESSAVG: 2152400 -9.81475 -38.2771 2.81983 -38.2771 -25.1573 -5.3994 2.8198 -5.39936 24.3503 GPRESSAVG: 2152400 -11.0967 -37.8999 0.657569 -39.0794 -24.4153 -7.27849 1.56473 -3.9065 25.2923 TIMING: 2152400 CPU: 6725.55, 0.00319341/step Wall: 6725.55, 0.00319341/step, 2.52599 hours remaining, 234.253906 MB of memory in use. ENERGY: 2152400 4018.9908 20776.2410 14481.4250 258.1700 -203389.4323 2778.0882 0.0000 0.0000 52011.3511 -109065.1661 298.9099 -161076.5172 -108709.0783 299.2698 -75.9789 -48.6677 763706.7412 -3.5406 -3.4066 PRESSURE: 2152600 -283.853 265.981 -276.167 265.981 -335.519 135.619 -276.168 135.619 -138.258 GPRESSURE: 2152600 -209.23 270.95 -268.612 193.341 -329.248 150.66 -175.568 58.6806 -121.041 PRESSAVG: 2152600 48.6129 -56.5518 -36.5698 -56.5517 -31.1134 -39.3265 -36.5697 -39.3266 32.5289 GPRESSAVG: 2152600 49.4903 -56.5063 -35.9511 -58.8531 -31.9552 -40.3206 -34.835 -40.5084 32.5204 TIMING: 2152600 CPU: 6726.17, 0.00312619/step Wall: 6726.17, 0.00312619/step, 2.47264 hours remaining, 234.253906 MB of memory in use. ENERGY: 2152600 4009.5996 20485.7490 14474.8508 245.7887 -203126.3669 2566.0947 0.0000 0.0000 52111.8744 -109232.4096 299.4877 -161344.2840 -108859.4814 299.7065 -252.5433 -219.8396 762991.5987 16.6762 16.6852 PRESSURE: 2152800 -176.993 -43.4409 85.2726 -43.4408 -153.175 66.2716 85.2721 66.2722 -176.419 GPRESSURE: 2152800 -94.203 25.3185 77.3545 -70.5717 -197.494 124.916 161.715 108.478 -128.37 PRESSAVG: 2152800 -32.7848 -62.1964 8.42326 -62.1965 26.518 -44.1755 8.42322 -44.1755 -18.4933 GPRESSAVG: 2152800 -33.4329 -60.8324 9.10968 -61.4414 26.1943 -44.3059 7.69272 -41.4994 -17.2014 TIMING: 2152800 CPU: 6726.8, 0.00311794/step Wall: 6726.8, 0.00311794/step, 2.46594 hours remaining, 234.253906 MB of memory in use. ENERGY: 2152800 4063.5014 20407.4231 14427.0542 240.6199 -202898.7069 2619.8982 0.0000 0.0000 51911.7030 -109228.5071 298.3373 -161140.2100 -108871.8091 298.9033 -168.8626 -140.0221 762704.8220 -8.2534 -8.1466 PRESSURE: 2153000 288.308 57.3391 -59.0818 57.3391 -177.374 47.8645 -59.0818 47.8648 -106.866 GPRESSURE: 2153000 221.012 18.8885 -96.632 16.9467 -69.1895 28.6602 -31.5765 9.34962 -103.561 PRESSAVG: 2153000 -20.7839 -54.8317 -21.6139 -54.8317 40.428 -32.5436 -21.614 -32.5436 13.3016 GPRESSAVG: 2153000 -22.0877 -55.2826 -21.5486 -54.8924 41.8051 -29.9741 -23.438 -32.0596 13.2843 TIMING: 2153000 CPU: 6727.42, 0.00313677/step Wall: 6727.42, 0.00313677/step, 2.48067 hours remaining, 234.253906 MB of memory in use. ENERGY: 2153000 4005.0439 20601.8580 14430.5847 248.0705 -203065.1495 2601.9738 0.0000 0.0000 51891.4906 -109286.1280 298.2211 -161177.6186 -108927.6976 298.9552 1.3560 16.0872 761784.0979 10.9819 11.0005 PRESSURE: 2153200 21.286 -281.05 106.083 -281.049 -245.029 -93.9157 106.082 -93.9167 53.2036 GPRESSURE: 2153200 75.7182 -183.959 192.72 -218.697 -153.165 -112.517 -1.07385 -40.4974 1.98368 PRESSAVG: 2153200 -7.16806 -73.9793 -15.3243 -73.9793 32.9725 -65.5466 -15.3243 -65.5467 -22.9661 GPRESSAVG: 2153200 -6.53117 -74.5363 -13.1909 -73.0898 33.9504 -66.9003 -16.4792 -66.1248 -24.3964 TIMING: 2153200 CPU: 6728.05, 0.00312369/step Wall: 6728.05, 0.00312369/step, 2.47014 hours remaining, 234.253906 MB of memory in use. ENERGY: 2153200 4090.1663 20403.5552 14366.9262 242.6688 -203572.4154 3042.7958 0.0000 0.0000 52034.7958 -109391.5073 299.0447 -161426.3031 -109020.9192 298.6958 -56.8466 -25.1543 763314.2161 0.9461 1.0076 PRESSURE: 2153400 -211.526 21.7288 0.406384 21.7296 -73.342 -62.9801 0.406359 -62.9796 87.3604 GPRESSURE: 2153400 -148.365 88.7292 -56.2706 -34.7056 -58.2679 -89.7231 50.4766 -39.6551 111.066 PRESSAVG: 2153400 32.3111 -21.5291 30.38 -21.5292 -7.1857 5.07848 30.38 5.07843 39.8593 GPRESSAVG: 2153400 34.2014 -21.6269 26.0718 -21.3257 -8.13166 5.91382 32.1715 2.79812 39.5028 TIMING: 2153400 CPU: 6728.67, 0.00313427/step Wall: 6728.67, 0.00313427/step, 2.47834 hours remaining, 234.253906 MB of memory in use. ENERGY: 2153400 3956.2965 20420.2750 14496.4425 238.2885 -203308.7298 2700.7652 0.0000 0.0000 51938.2043 -109558.4577 298.4896 -161496.6620 -109189.1140 297.9881 -65.8359 -31.8558 762161.4051 21.6615 21.8575 PRESSURE: 2153600 16.6988 -132.597 -196.06 -132.597 -101.314 -34.0089 -196.06 -34.0096 141.387 GPRESSURE: 2153600 83.8587 -116.89 -165.778 -17.0191 -47.5652 33.0261 -111.885 -14.6677 109.599 PRESSAVG: 2153600 6.66619 -76.0663 35.1683 -76.0663 10.1402 -51.1229 35.1684 -51.1229 4.66328 GPRESSAVG: 2153600 5.68424 -75.9947 36.314 -77.1776 9.57157 -52.8408 34.7915 -47.9165 5.02383 TIMING: 2153600 CPU: 6729.3, 0.00313343/step Wall: 6729.3, 0.00313343/step, 2.4775 hours remaining, 234.253906 MB of memory in use. ENERGY: 2153600 3910.6029 20429.5348 14550.8922 271.8432 -203003.9541 2559.7669 0.0000 0.0000 51792.9243 -109488.3898 297.6546 -161281.3141 -109125.3819 297.9667 18.9239 48.6309 761508.9912 7.1566 6.7599 PRESSURE: 2153800 -362.48 40.8171 -18.819 40.817 -156.872 -125.337 -18.8194 -125.335 204.878 GPRESSURE: 2153800 -286.608 40.1583 -7.14444 65.2906 -86.9933 -138.05 -70.1404 30.7052 140.463 PRESSAVG: 2153800 18.1064 18.3295 -41.0936 18.3295 3.815 -62.5327 -41.0936 -62.5327 8.3043 GPRESSAVG: 2153800 18.0448 18.8517 -40.155 22.218 3.50813 -61.7181 -43.2888 -64.5527 8.50899 TIMING: 2153800 CPU: 6729.93, 0.00312828/step Wall: 6729.93, 0.00312828/step, 2.47326 hours remaining, 234.253906 MB of memory in use. ENERGY: 2153800 3993.3052 20351.0355 14515.7088 249.9237 -203208.2066 2785.4254 0.0000 0.0000 52053.1801 -109259.6280 299.1503 -161312.8080 -108893.0265 298.5310 -104.8246 -77.7128 762980.6335 10.0752 10.0206 PRESSURE: 2154000 -27.4288 11.6321 -201.914 11.6315 -25.4049 -213.179 -201.915 -213.179 233.991 GPRESSURE: 2154000 57.6187 28.9565 -154.494 115.633 -35.0757 -228.548 -220.034 -166.478 241.548 PRESSAVG: 2154000 -5.26825 -26.4067 35.163 -26.4067 -5.63841 -37.7516 35.163 -37.7516 2.56796 GPRESSAVG: 2154000 -5.28388 -27.6795 35.3777 -28.078 -5.43954 -38.3438 37.0452 -38.1629 2.05997 TIMING: 2154000 CPU: 6730.55, 0.00312547/step Wall: 6730.55, 0.00312547/step, 2.47086 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2154000 4048.6505 20574.5648 14389.9908 246.3294 -203110.0999 2649.4690 0.0000 0.0000 52010.0742 -109191.0212 298.9026 -161201.0954 -108829.9432 299.5175 60.3857 88.0303 761822.0846 -2.7796 -2.8878 PRESSURE: 2154200 -44.749 -95.5516 -0.432566 -95.5509 -304.057 85.9919 -0.432081 85.9916 -16.8767 GPRESSURE: 2154200 -5.59089 -60.2498 12.9991 14.6439 -267.72 137.081 35.6122 -92.7128 -4.03363 PRESSAVG: 2154200 -3.8015 -18.5749 -17.2095 -18.5749 -19.7949 17.8736 -17.2095 17.8737 14.1402 GPRESSAVG: 2154200 -3.32668 -17.5065 -18.3153 -20.0484 -20.4517 18.8655 -18.9816 18.0635 14.2838 TIMING: 2154200 CPU: 6731.18, 0.00313634/step Wall: 6731.18, 0.00313635/step, 2.47928 hours remaining, 234.253906 MB of memory in use. ENERGY: 2154200 4040.0148 20431.6848 14425.1161 253.4292 -202914.1867 2491.5054 0.0000 0.0000 52001.6285 -109270.8078 298.8541 -161272.4363 -108908.5095 298.6929 -121.8943 -92.4481 762444.0430 -3.1521 -3.1649 PRESSURE: 2154400 -130.21 109.284 -142.057 109.285 63.127 95.3716 -142.057 95.3719 -134.258 GPRESSURE: 2154400 -122.599 30.885 -173.764 150.21 113.128 123.583 -184.397 153.066 -123.879 PRESSAVG: 2154400 42.1125 -20.4266 -23.1336 -20.4266 -10.7518 25.5093 -23.1336 25.5092 -1.6587 GPRESSAVG: 2154400 43.0209 -22.9749 -22.2373 -19.3127 -10.7088 26.1068 -19.8728 25.8169 -1.93534 TIMING: 2154400 CPU: 6731.81, 0.00315121/step Wall: 6731.81, 0.00315121/step, 2.49086 hours remaining, 234.253906 MB of memory in use. ENERGY: 2154400 4035.8374 20509.6054 14504.7696 237.1621 -203221.9989 2948.6768 0.0000 0.0000 52042.0412 -108943.9063 299.0863 -160985.9475 -108583.1911 298.8469 -67.1139 -44.4499 761798.2358 9.9006 10.1256 PRESSURE: 2154600 -31.2575 -9.74462 182.768 -9.74493 -291.754 -100.253 182.768 -100.253 -33.287 GPRESSURE: 2154600 -56.7388 44.4199 158.666 -99.3873 -166.079 -134.246 270.832 13.8291 -59.5676 PRESSAVG: 2154600 27.4014 37.0447 19.1225 37.0448 9.23389 -20.5653 19.1225 -20.5654 -6.39098 GPRESSAVG: 2154600 26.1192 38.7543 18.5978 37.5078 9.61573 -20.8661 18.3641 -20.4372 -5.30888 TIMING: 2154600 CPU: 6732.44, 0.00317355/step Wall: 6732.44, 0.00317355/step, 2.50834 hours remaining, 234.253906 MB of memory in use. ENERGY: 2154600 4018.4134 20535.2033 14462.9124 236.8463 -202919.0523 2670.0589 0.0000 0.0000 52053.3955 -108942.2225 299.1516 -160995.6180 -108579.1082 299.6672 -118.7660 -94.1285 765953.9838 10.0815 10.1420 PRESSURE: 2154800 -326.393 -66.0849 135.899 -66.0845 -195.454 33.8523 135.9 33.8528 -294.553 GPRESSURE: 2154800 -298.024 -40.6213 102.666 -68.5717 -203.202 134.249 227.073 -12.715 -253.547 PRESSAVG: 2154800 5.46674 14.5316 14.399 14.5316 -37.3126 63.097 14.399 63.0969 -13.6331 GPRESSAVG: 2154800 4.92254 16.0978 13.2081 12.976 -37.1062 64.8749 15.0791 60.827 -14.0581 TIMING: 2154800 CPU: 6733.08, 0.00318932/step Wall: 6733.08, 0.00318932/step, 2.52063 hours remaining, 234.253906 MB of memory in use. ENERGY: 2154800 4009.0077 20539.6344 14492.1862 250.5985 -203396.7311 3070.8744 0.0000 0.0000 51941.1508 -109093.2791 298.5065 -161034.4299 -108725.2336 299.3556 -272.1334 -251.5914 764206.3666 -15.1597 -15.4139 PRESSURE: 2155000 -286.146 168.601 18.0279 168.601 -443.238 -131.77 18.0273 -131.771 88.2523 GPRESSURE: 2155000 -254.364 184.433 3.58962 120.781 -369.53 -120.383 59.3544 -47.704 59.5934 PRESSAVG: 2155000 4.92166 -0.948067 2.55617 -0.948079 11.48 -0.534304 2.55621 -0.534277 17.0625 GPRESSAVG: 2155000 6.03823 -2.93748 3.38504 -1.02068 11.9486 -1.73613 0.205674 1.75646 15.8388 TIMING: 2155000 CPU: 6733.71, 0.0031257/step Wall: 6733.71, 0.0031257/step, 2.47017 hours remaining, 234.253906 MB of memory in use. ENERGY: 2155000 4096.1625 20571.1980 14446.8409 254.0118 -203477.5959 2834.4414 0.0000 0.0000 52082.3291 -109192.6121 299.3179 -161274.9412 -108838.1378 299.0406 -213.7106 -188.1002 761133.4496 11.1547 11.2752 PRESSURE: 2155200 199.827 -106.627 140.366 -106.627 -267.756 148.594 140.366 148.594 289.036 GPRESSURE: 2155200 293.173 -57.8666 57.501 -102.876 -236.855 134.644 153.146 219.413 256.139 PRESSAVG: 2155200 29.6365 -44.9742 -34.9434 -44.9742 7.69673 21.0864 -34.9433 21.0863 -24.1881 GPRESSAVG: 2155200 29.2461 -44.9532 -34.8761 -43.966 7.1978 21.0888 -32.8358 21.7104 -22.7112 TIMING: 2155200 CPU: 6734.34, 0.00316073/step Wall: 6734.34, 0.00316073/step, 2.49768 hours remaining, 234.253906 MB of memory in use. ENERGY: 2155200 3926.2337 20643.0438 14407.7504 220.6053 -203306.9754 3005.5519 0.0000 0.0000 51727.9079 -109375.8825 297.2810 -161103.7904 -109007.1856 298.6633 73.7024 104.1524 762053.4924 4.3817 4.5776 PRESSURE: 2155400 186.305 -193.32 117.22 -193.32 -108.606 -140.209 117.22 -140.209 -188.334 GPRESSURE: 2155400 175.939 -139.467 66.6986 -194.07 -16.5085 -76.6006 73.1729 -266.018 -185.537 PRESSAVG: 2155400 15.7986 -3.33125 -17.0737 -3.33127 -29.6283 23.9213 -17.0737 23.9213 0.343129 GPRESSAVG: 2155400 16.5951 -3.54283 -17.2505 -5.14852 -29.4871 23.2644 -19.2864 23.9437 -0.819287 TIMING: 2155400 CPU: 6734.97, 0.00316821/step Wall: 6734.97, 0.00316821/step, 2.50341 hours remaining, 234.253906 MB of memory in use. ENERGY: 2155400 3988.3255 20627.7610 14502.5250 222.2889 -203371.0797 2706.7839 0.0000 0.0000 51990.3269 -109333.0686 298.7891 -161323.3955 -108968.3204 298.8154 -36.8782 -8.7024 761758.6760 -4.4955 -4.5704 PRESSURE: 2155600 413.462 -221.358 20.9466 -221.357 126.22 -12.6943 20.9462 -12.6937 71.8062 GPRESSURE: 2155600 377.997 -280.24 -49.7596 -224.152 193.631 -16.3382 79.4076 48.816 112.969 PRESSAVG: 2155600 44.0495 -22.8356 46.3044 -22.8357 -33.2185 -23.2029 46.3044 -23.2028 34.1255 GPRESSAVG: 2155600 43.0793 -23.7127 46.7474 -19.991 -32.1736 -23.7171 48.425 -23.1299 33.8737 TIMING: 2155600 CPU: 6735.6, 0.00316072/step Wall: 6735.6, 0.00316072/step, 2.49732 hours remaining, 234.253906 MB of memory in use. ENERGY: 2155600 4049.6733 20525.7978 14488.8807 244.8764 -203697.7064 2966.3476 0.0000 0.0000 52058.8050 -109363.3256 299.1827 -161422.1306 -108995.2261 299.3441 203.8293 228.1987 759821.4970 14.9855 14.9265 PRESSURE: 2155800 -361.348 -105.762 -11.2436 -105.761 57.9676 -21.6367 -11.2429 -21.6372 -312.973 GPRESSURE: 2155800 -289.368 -209.254 -59.5504 -87.9313 15.7412 -65.6998 -12.6345 10.3888 -275.652 PRESSAVG: 2155800 8.08292 -30.725 11.078 -30.725 -25.8466 29.2121 11.078 29.2121 12.3859 GPRESSAVG: 2155800 8.27428 -29.1939 11.6334 -33.9097 -27.204 29.6682 10.0696 28.9762 13.6719 TIMING: 2155800 CPU: 6736.24, 0.00315772/step Wall: 6736.24, 0.00315772/step, 2.49477 hours remaining, 234.253906 MB of memory in use. ENERGY: 2155800 3988.8315 20575.7695 14480.5097 252.7068 -203245.9361 2489.1104 0.0000 0.0000 51929.9614 -109529.0468 298.4422 -161459.0082 -109174.7542 298.8650 -205.4511 -183.0931 762738.6378 -1.7926 -1.7526 PRESSURE: 2156000 76.9512 237.752 -145.198 237.752 -84.696 -70.3365 -145.198 -70.3361 -31.9127 GPRESSURE: 2156000 42.8875 176.305 -161.118 255.144 -11.3727 -36.8803 -97.1069 -5.59143 4.10658 PRESSAVG: 2156000 18.5251 26.1391 -61.7299 26.1391 -20.2348 -25.4662 -61.7299 -25.4661 -11.1331 GPRESSAVG: 2156000 18.3002 26.7933 -62.5443 26.7022 -19.4491 -26.292 -61.2021 -24.9511 -11.9177 TIMING: 2156000 CPU: 6736.86, 0.00313707/step Wall: 6736.86, 0.00313707/step, 2.47829 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2156000 3975.4618 20599.9717 14507.4957 253.0436 -203796.4238 2900.8794 0.0000 0.0000 52021.4935 -109538.0780 298.9682 -161559.5715 -109172.4000 298.3573 -13.2192 11.8738 762533.9892 -4.2810 -4.3555 PRESSURE: 2156200 86.7408 140.156 -70.6591 140.157 -55.6958 -108.987 -70.6596 -108.986 292.909 GPRESSURE: 2156200 48.7295 264.062 59.4638 39.2333 1.39663 -72.4222 -189.844 -201.02 355.034 PRESSAVG: 2156200 25.5389 -14.2264 -33.7028 -14.2264 -17.1893 23.1498 -33.7027 23.1497 -7.34039 GPRESSAVG: 2156200 26.4253 -15.7046 -34.8226 -13.0006 -18.7097 23.0847 -32.8911 24.3673 -6.97675 TIMING: 2156200 CPU: 6737.49, 0.00312775/step Wall: 6737.49, 0.00312775/step, 2.47075 hours remaining, 234.253906 MB of memory in use. ENERGY: 2156200 3945.1931 20528.7872 14455.1492 255.1698 -203498.2038 2903.4296 0.0000 0.0000 51998.4795 -109411.9955 298.8360 -161410.4749 -109044.3768 298.3713 107.9845 135.0534 762423.0261 0.3364 0.2463 LDB: ============= START OF LOAD BALANCING ============== 6749.97 LDB: ============== END OF LOAD BALANCING =============== 6749.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6749.97 LDB: ============= START OF LOAD BALANCING ============== 6750.29 LDB: Largest compute 7058 load 0.030990 is 15.9% of average load 0.195012 LDB: Average compute 0.004412 is 2.3% of average load 0.195012 LDB: TIME 6750.29 LOAD: AVG 0.195012 MAX 0.213771 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 237.078 MB LDB: TIME 6750.29 LOAD: AVG 0.195012 MAX 0.213771 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.148 MB LDB: TIME 6750.29 LOAD: AVG 0.195012 MAX 0.213771 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.148 MB LDB: ============== END OF LOAD BALANCING =============== 6750.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6750.3 PRESSURE: 2156400 -152.293 -57.6358 -107.427 -57.6353 37.8977 68.1144 -107.428 68.1149 4.16594 GPRESSURE: 2156400 -120.217 -94.4481 -205.523 -83.7205 65.3713 -48.0776 -6.6853 140.388 27.2408 PRESSAVG: 2156400 47.7418 23.6318 5.54224 23.6318 -48.3612 -15.4839 5.54225 -15.4839 11.421 GPRESSAVG: 2156400 46.5318 23.9764 6.74666 23.3206 -47.3811 -16.6689 2.95608 -15.9956 12.1914 TIMING: 2156400 CPU: 6738.13, 0.00321681/step Wall: 6738.13, 0.00321681/step, 2.54092 hours remaining, 234.308594 MB of memory in use. ENERGY: 2156400 4027.9715 20616.5020 14442.9793 245.3853 -203577.3299 3043.4226 0.0000 0.0000 52015.7912 -109185.2780 298.9355 -161201.0691 -108836.0819 298.9044 -36.7431 -9.2016 763495.8154 3.6005 3.7807 PRESSURE: 2156600 -233.387 -10.9973 -126.2 -10.9978 -27.3867 -214.17 -126.199 -214.169 176.243 GPRESSURE: 2156600 -171.728 -100.988 -84.1919 -182.58 63.0051 -231.904 -16.1805 -104.146 120.79 PRESSAVG: 2156600 -15.3575 6.27413 -33.9818 6.27414 -22.1463 26.5474 -33.9818 26.5474 6.69616 GPRESSAVG: 2156600 -14.7999 6.12631 -33.6684 6.13818 -22.5457 28.3715 -32.6105 25.9632 6.51458 TIMING: 2156600 CPU: 6738.76, 0.00315477/step Wall: 6738.76, 0.00315477/step, 2.49175 hours remaining, 234.378906 MB of memory in use. ENERGY: 2156600 4017.7137 20366.1581 14401.0405 238.0544 -203112.1870 2768.7645 0.0000 0.0000 52143.5036 -109176.9521 299.6694 -161320.4557 -108805.6440 299.0329 -28.1766 4.0225 762372.9778 -10.2692 -10.2770 PRESSURE: 2156800 -242.676 54.2825 112.659 54.2832 125.527 38.5395 112.659 38.5396 -254.896 GPRESSURE: 2156800 -165.885 -28.7873 152.546 9.78331 153.651 18.3201 68.667 -47.2842 -281.981 PRESSAVG: 2156800 19.7981 -27.9254 21.3521 -27.9254 51.8985 29.7197 21.3522 29.7197 14.6255 GPRESSAVG: 2156800 20.4482 -30.1935 20.4616 -28.9705 51.6953 29.1058 21.2563 29.0197 13.8257 TIMING: 2156800 CPU: 6739.39, 0.00313967/step Wall: 6739.39, 0.00313967/step, 2.47964 hours remaining, 234.378906 MB of memory in use. ENERGY: 2156800 4011.4448 20681.9210 14398.1992 252.0257 -202866.3191 2555.6902 0.0000 0.0000 51807.7570 -109159.2812 297.7399 -160967.0381 -108803.0537 299.2960 -124.0151 -98.0717 763300.2334 28.7740 28.6564 PRESSURE: 2157000 255.286 130.197 -27.9399 130.196 -76.0595 143.617 -27.9395 143.618 80.2146 GPRESSURE: 2157000 183.012 139.331 2.36038 -21.7741 47.7922 210.204 -13.6901 94.1446 101.227 PRESSAVG: 2157000 -12.7553 1.38497 22.7142 1.38498 -2.01656 20.6099 22.7141 20.6099 -2.68515 GPRESSAVG: 2157000 -13.4578 3.83916 24.8015 1.36108 -1.49117 22.3821 22.3533 19.1686 -2.63812 TIMING: 2157000 CPU: 6740.02, 0.00315595/step Wall: 6740.02, 0.00315595/step, 2.49232 hours remaining, 234.378906 MB of memory in use. ENERGY: 2157000 4009.8966 20529.8586 14405.5114 228.0194 -203512.8902 2972.8340 0.0000 0.0000 52489.4204 -108877.3499 301.6574 -161366.7703 -108503.4265 299.6932 86.4805 110.6770 761226.0204 -5.8190 -5.8624 PRESSURE: 2157200 78.3678 -110.461 -41.2096 -110.461 -290.881 -142.626 -41.2096 -142.627 -347.312 GPRESSURE: 2157200 137.747 -35.991 -29.7602 -141.473 -315.51 -123.48 -70.9257 -48.7169 -285.149 PRESSAVG: 2157200 93.962 35.5022 -32.1519 35.5022 -47.8373 6.9556 -32.152 6.95564 -5.57402 GPRESSAVG: 2157200 94.1341 35.5716 -33.9245 34.3354 -48.6118 6.00083 -32.1888 7.04248 -4.6767 TIMING: 2157200 CPU: 6740.65, 0.00315131/step Wall: 6740.65, 0.00315131/step, 2.48848 hours remaining, 234.378906 MB of memory in use. ENERGY: 2157200 3945.7688 20432.3695 14577.0279 263.4444 -202851.9239 2372.9747 0.0000 0.0000 52444.6389 -108815.6997 301.4001 -161260.3386 -108443.6000 300.5024 -186.6082 -154.3041 761711.3165 13.5169 13.6152 PRESSURE: 2157400 350.779 -208.465 118.167 -208.465 75.2291 -11.6919 118.167 -11.6916 246.124 GPRESSURE: 2157400 340.835 -125.142 141.627 -162.99 89.7019 5.9811 184.345 -155.973 335.334 PRESSAVG: 2157400 59.9615 -17.6751 -5.78425 -17.6751 -40.5419 17.6382 -5.78426 17.6383 16.0439 GPRESSAVG: 2157400 59.1699 -17.4416 -6.32352 -14.585 -38.9943 16.4809 -6.79925 20.8693 15.231 TIMING: 2157400 CPU: 6741.28, 0.00313678/step Wall: 6741.28, 0.00313678/step, 2.47684 hours remaining, 234.378906 MB of memory in use. ENERGY: 2157400 4029.4515 20638.8267 14441.4358 242.4650 -203158.5385 2744.7745 0.0000 0.0000 52238.2766 -108823.3083 300.2141 -161061.5849 -108458.9935 300.2218 224.0438 255.2902 761904.5346 11.8212 11.8022 PRESSURE: 2157600 114.771 97.7376 -17.3237 97.738 -205.833 47.1331 -17.3239 47.1333 294.807 GPRESSURE: 2157600 164.478 -1.34837 34.0058 -0.32316 -152.846 54.4912 -74.148 154.035 295.032 PRESSAVG: 2157600 44.0027 5.80183 28.9312 5.80184 -2.55891 11.3761 28.9311 11.376 28.3655 GPRESSAVG: 2157600 44.6332 6.04009 30.8594 4.03219 -3.0789 11.7486 30.3189 9.20908 27.7152 TIMING: 2157600 CPU: 6741.91, 0.00312886/step Wall: 6741.91, 0.00312886/step, 2.47041 hours remaining, 234.378906 MB of memory in use. ENERGY: 2157600 3937.8187 20650.7117 14473.6780 250.8268 -202962.5660 2568.7743 0.0000 0.0000 52119.5021 -108961.2544 299.5315 -161080.7565 -108605.2834 300.2720 67.9151 102.2212 763409.4728 23.2698 23.0898 PRESSURE: 2157800 -278.696 -7.99874 -271.593 -7.99812 183.719 252.011 -271.593 252.011 19.4033 GPRESSURE: 2157800 -198.545 78.1347 -277.427 -18.3426 148.164 191.391 -238.562 216.032 52.3797 PRESSAVG: 2157800 100.961 -30.4004 -4.46565 -30.4003 -57.4072 -48.2155 -4.46567 -48.2155 -1.39099 GPRESSAVG: 2157800 101.764 -31.0382 -3.57985 -29.9617 -58.178 -48.3688 -7.63004 -46.8918 -1.12812 TIMING: 2157800 CPU: 6742.53, 0.00313922/step Wall: 6742.53, 0.00313922/step, 2.47842 hours remaining, 234.378906 MB of memory in use. ENERGY: 2157800 3995.6676 20743.5400 14474.0724 266.7983 -203049.4205 2682.0749 0.0000 0.0000 52005.5692 -108881.6980 298.8767 -160887.2673 -108514.0600 300.3374 -25.1912 0.6662 762245.8948 14.0544 14.1525 PRESSURE: 2158000 -94.7696 -72.0235 144.39 -72.0237 -141.104 157.279 144.39 157.279 -239.053 GPRESSURE: 2158000 -21.6521 -109.504 67.7861 -47.9206 -102.436 169.53 210.426 73.4428 -270.476 PRESSAVG: 2158000 39.568 -45.597 29.5886 -45.597 -68.6175 37.9197 29.5887 37.9197 16.2793 GPRESSAVG: 2158000 39.5152 -47.4068 26.9977 -44.7768 -68.5714 40.9374 32.3488 34.2681 15.7502 TIMING: 2158000 CPU: 6743.16, 0.00312362/step Wall: 6743.16, 0.00312362/step, 2.46592 hours remaining, 234.378906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2158000 4083.2979 20640.5632 14519.9643 243.8905 -203186.5368 2642.4572 0.0000 0.0000 52358.7063 -108697.6574 300.9062 -161056.3638 -108333.8522 300.3274 -158.3087 -131.5212 762153.7616 -4.2567 -4.4353 PRESSURE: 2158200 -23.1177 -131.838 78.0334 -131.838 188.777 96.159 78.0335 96.1591 193.828 GPRESSURE: 2158200 -31.9063 0.341695 183.733 -44.0728 227.305 60.6735 -15.8189 195.039 244.727 PRESSAVG: 2158200 34.9688 -8.54786 -6.6891 -8.54783 -34.944 33.1209 -6.68908 33.1208 9.06384 GPRESSAVG: 2158200 35.1073 -4.68604 -4.96794 -8.96954 -33.8777 31.2194 -7.1779 34.5123 8.56479 TIMING: 2158200 CPU: 6743.79, 0.00315696/step Wall: 6743.79, 0.00315696/step, 2.49207 hours remaining, 234.378906 MB of memory in use. ENERGY: 2158200 4055.9207 20584.4006 14531.4510 252.9596 -203219.7058 2672.0091 0.0000 0.0000 52234.6233 -108888.3416 300.1931 -161122.9648 -108520.0329 300.4168 119.8291 146.7088 761471.3435 3.0295 3.2648 PRESSURE: 2158400 124.626 243.657 -5.9676 243.657 125.675 -178.766 -5.96714 -178.765 264.01 GPRESSURE: 2158400 184.515 135.398 -83.84 225.516 124.419 -171.632 112.966 -50.6647 280.458 PRESSAVG: 2158400 81.2623 -10.5853 -0.785898 -10.5853 -63.6866 -12.2714 -0.785915 -12.2714 9.31712 GPRESSAVG: 2158400 79.6774 -14.2033 -2.09996 -12.2945 -63.9061 -11.7993 -0.764673 -11.3032 10.7022 TIMING: 2158400 CPU: 6744.42, 0.00314746/step Wall: 6744.42, 0.00314746/step, 2.4844 hours remaining, 234.378906 MB of memory in use. ENERGY: 2158400 4040.1803 20668.4339 14437.7932 225.9446 -202964.4264 2449.3410 0.0000 0.0000 52122.8439 -109019.8896 299.5507 -161142.7335 -108662.0593 300.4673 171.4368 196.4640 762512.9223 8.9643 8.8245 PRESSURE: 2158600 8.89069 -142.402 -19.6124 -142.403 194.601 -62.8896 -19.612 -62.8894 134.425 GPRESSURE: 2158600 108.689 -78.2372 -109.177 -199.11 223.173 -12.9651 -58.0382 -25.8433 71.9952 PRESSAVG: 2158600 16.6801 28.666 -8.09126 28.666 0.122436 17.6603 -8.09128 17.6603 -12.2314 GPRESSAVG: 2158600 17.7901 29.8581 -7.83793 29.4718 -0.64671 16.8703 -5.30288 17.2153 -12.0486 TIMING: 2158600 CPU: 6745.05, 0.00314419/step Wall: 6745.05, 0.00314419/step, 2.48164 hours remaining, 234.378906 MB of memory in use. ENERGY: 2158600 4038.8352 20748.5276 14449.1754 246.6013 -203640.8055 2699.5760 0.0000 0.0000 52162.3122 -109295.7778 299.7775 -161458.0900 -108943.9835 299.6518 112.6391 134.6192 760161.6921 1.5237 1.6983 PRESSURE: 2158800 -354.45 -109.653 -32.4594 -109.653 139.091 176.924 -32.4601 176.923 -96.3177 GPRESSURE: 2158800 -221.561 -66.9512 -58.9618 39.8611 66.792 109.422 -164.765 327.3 -73.7733 PRESSAVG: 2158800 -5.60589 20.0489 -40.1184 20.0489 -28.0889 15.32 -40.1184 15.32 13.5789 GPRESSAVG: 2158800 -5.46241 20.3024 -41.4103 20.9201 -27.9775 15.3946 -42.1461 14.7083 13.6687 TIMING: 2158800 CPU: 6745.67, 0.00311453/step Wall: 6745.67, 0.00311453/step, 2.45806 hours remaining, 234.378906 MB of memory in use. ENERGY: 2158800 4026.0481 20464.5860 14534.8066 247.1506 -202770.1128 2306.5558 0.0000 0.0000 52090.7630 -109100.2028 299.3663 -161190.9657 -108739.0400 299.5986 -103.8923 -76.1807 762628.6903 -6.7053 -6.5904 PRESSURE: 2159000 78.1469 336.542 -70.6002 336.542 -12.5161 279.618 -70.5995 279.617 -275.013 GPRESSURE: 2159000 130.896 270.379 -53.1733 324.516 51.6658 286.567 82.8566 264.239 -314.982 PRESSAVG: 2159000 31.1423 -4.45978 -32.9065 -4.45973 -22.5753 18.7818 -32.9064 18.7817 24.0867 GPRESSAVG: 2159000 30.4075 -5.61642 -31.6255 -3.77363 -22.2891 17.903 -30.992 18.9104 24.0679 TIMING: 2159000 CPU: 6746.3, 0.00313133/step Wall: 6746.3, 0.00313133/step, 2.47114 hours remaining, 234.378906 MB of memory in use. ENERGY: 2159000 3993.8635 20657.2737 14491.2371 239.8255 -203232.5120 2740.8485 0.0000 0.0000 51766.5491 -109342.9147 297.5031 -161109.4638 -108984.3481 299.2210 -69.7941 -44.1402 762630.1044 10.8845 10.7288 PRESSURE: 2159200 481.11 42.1668 266.212 42.1673 71.2149 -31.8812 266.211 -31.8813 -439.199 GPRESSURE: 2159200 476.521 62.8434 287.778 58.5796 135.317 22.7076 102.633 -153.388 -414.749 PRESSAVG: 2159200 -15.9209 -42.1507 -64.2991 -42.1507 0.0556957 -1.3221 -64.2991 -1.32206 3.43705 GPRESSAVG: 2159200 -14.9872 -41.7222 -65.0043 -41.5107 -0.681157 -0.183325 -66.1627 -1.24035 4.17486 TIMING: 2159200 CPU: 6746.93, 0.00314439/step Wall: 6746.93, 0.00314439/step, 2.48127 hours remaining, 234.378906 MB of memory in use. ENERGY: 2159200 4019.6474 20508.2106 14519.9530 240.5369 -203586.9196 3106.2311 0.0000 0.0000 51804.0011 -109388.3395 297.7183 -161192.3406 -109027.6292 298.5035 37.7085 65.6963 761099.9816 -4.1427 -3.8311 PRESSURE: 2159400 45.8631 -1.42953 -84.4024 -1.42943 -132.48 -221.587 -84.4022 -221.588 -141.264 GPRESSURE: 2159400 71.8099 -13.9066 -108.922 -5.3217 -78.179 -198.7 -182.288 -316.6 -142.663 PRESSAVG: 2159400 12.8583 -30.9893 1.72943 -30.9893 -16.2186 11.5754 1.72943 11.5755 -4.62935 GPRESSAVG: 2159400 11.8502 -32.24 2.86659 -33.5306 -15.3216 10.8377 -1.00576 10.9432 -4.82074 TIMING: 2159400 CPU: 6747.55, 0.00312385/step Wall: 6747.55, 0.00312384/step, 2.46489 hours remaining, 234.378906 MB of memory in use. ENERGY: 2159400 4047.5923 20480.5999 14471.5143 255.6690 -203490.6093 2872.1167 0.0000 0.0000 51887.6789 -109475.4382 298.1992 -161363.1171 -109127.4437 298.4658 -75.9602 -49.6774 762430.8412 -2.6632 -2.7640 PRESSURE: 2159600 -88.3583 62.547 77.0742 62.5478 -196.653 38.024 77.0747 38.0241 -94.084 GPRESSURE: 2159600 -24.7865 68.193 74.6022 251.824 -112.653 7.09642 101.385 73.9438 -144.5 PRESSAVG: 2159600 -4.30836 -19.2874 -47.7461 -19.2875 -27.0854 -35.5937 -47.746 -35.5936 8.36775 GPRESSAVG: 2159600 -3.84243 -18.2808 -48.9203 -18.5839 -27.8972 -35.792 -45.1541 -35.1987 8.38963 TIMING: 2159600 CPU: 6748.18, 0.00313078/step Wall: 6748.18, 0.00313078/step, 2.47019 hours remaining, 234.378906 MB of memory in use. ENERGY: 2159600 4008.8283 20363.8710 14445.1199 233.5933 -203696.0700 2939.6242 0.0000 0.0000 52164.9207 -109540.1125 299.7925 -161705.0332 -109184.8288 299.0865 -126.3652 -93.9798 763036.9684 -7.6753 -7.7833 PRESSURE: 2159800 265.534 -44.5852 -14.5512 -44.5849 -104.02 -292.758 -14.5503 -292.758 42.8317 GPRESSURE: 2159800 208.106 -37.1665 12.6575 -42.3021 6.92356 -327.841 86.9462 -174.943 90.5288 PRESSAVG: 2159800 -10.399 56.4364 0.180371 56.4364 -10.1565 32.0334 0.180404 32.0335 -9.84904 GPRESSAVG: 2159800 -11.4631 59.3064 0.450322 54.5046 -9.26945 31.8049 -0.135799 31.9123 -9.63621 TIMING: 2159800 CPU: 6748.81, 0.00315373/step Wall: 6748.81, 0.00315373/step, 2.48811 hours remaining, 234.378906 MB of memory in use. ENERGY: 2159800 3968.2548 20402.7763 14482.0008 249.0232 -203810.5245 3045.9108 0.0000 0.0000 52277.1852 -109385.3735 300.4377 -161662.5587 -109017.8112 299.0303 68.1151 101.8529 762166.4772 -10.1349 -10.1229 PRESSURE: 2160000 -152.598 104.432 -14.4308 104.433 -209.644 -12.9109 -14.4304 -12.912 -393.484 GPRESSURE: 2160000 -88.1847 30.676 -52.765 142.011 -164.47 -21.3321 22.5049 -77.4554 -410.154 PRESSAVG: 2160000 1.5419 -24.5566 -34.23 -24.5566 1.08223 -14.1784 -34.23 -14.1785 -1.55619 GPRESSAVG: 2160000 2.55272 -28.5788 -33.3594 -20.8639 1.09943 -13.8172 -35.01 -12.7287 -2.20568 TIMING: 2160000 CPU: 6749.43, 0.00313114/step Wall: 6749.43, 0.00313114/step, 2.47012 hours remaining, 234.378906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2160000 4030.4440 20468.6287 14570.1003 246.9467 -203110.4009 2416.6772 0.0000 0.0000 52019.4526 -109358.1515 298.9565 -161377.6041 -108996.2168 299.0353 -251.9086 -220.9363 762903.9943 0.3560 0.4822 PRESSURE: 2160200 196.763 5.37747 -98.8617 5.3774 3.81057 136.346 -98.8612 136.346 -257.909 GPRESSURE: 2160200 177.585 109.913 -76.4622 19.3929 -1.8793 131.304 -270.651 149.732 -149.992 PRESSAVG: 2160200 -56.7003 -37.0824 -58.7063 -37.0824 51.1414 23.1834 -58.7064 23.1835 -21.5068 GPRESSAVG: 2160200 -57.5655 -35.2787 -59.4497 -38.2957 51.1487 23.7683 -57.5277 23.3614 -20.4153 TIMING: 2160200 CPU: 6750.06, 0.00312064/step Wall: 6750.06, 0.00312064/step, 2.46167 hours remaining, 234.378906 MB of memory in use. ENERGY: 2160200 4050.1738 20408.1428 14536.2678 245.3966 -203485.4472 2914.6898 0.0000 0.0000 51806.7428 -109524.0336 297.7341 -161330.7764 -109179.2694 298.8821 -19.1119 8.5711 761876.1614 -9.0219 -8.9440 LDB: ============= START OF LOAD BALANCING ============== 6762.54 LDB: ============== END OF LOAD BALANCING =============== 6762.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6762.54 LDB: ============= START OF LOAD BALANCING ============== 6762.85 LDB: Largest compute 7078 load 0.031087 is 15.9% of average load 0.195047 LDB: Average compute 0.004408 is 2.3% of average load 0.195047 LDB: TIME 6762.85 LOAD: AVG 0.195047 MAX 0.214147 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.598 MB LDB: TIME 6762.85 LOAD: AVG 0.195047 MAX 0.214147 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.598 MB LDB: TIME 6762.85 LOAD: AVG 0.195047 MAX 0.214147 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.598 MB LDB: ============== END OF LOAD BALANCING =============== 6762.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6762.86 PRESSURE: 2160400 -112.364 97.7381 -232.605 97.7384 -159.4 -20.2159 -232.605 -20.2148 -117.761 GPRESSURE: 2160400 -50.7272 -45.1137 -219.793 -5.52227 -143.205 -110.849 -260.645 6.68107 -99.0209 PRESSAVG: 2160400 -46.0616 0.128813 -14.2001 0.12871 50.1515 5.43467 -14.2002 5.43464 21.3665 GPRESSAVG: 2160400 -44.6834 1.74095 -13.0466 -1.96946 50.6815 3.25804 -16.5586 5.56663 19.6441 TIMING: 2160400 CPU: 6750.7, 0.0031874/step Wall: 6750.7, 0.0031874/step, 2.51415 hours remaining, 234.050781 MB of memory in use. ENERGY: 2160400 4041.7064 20439.2682 14410.0845 239.7422 -203300.1249 2780.9327 0.0000 0.0000 52029.1321 -109359.2588 299.0121 -161388.3909 -108992.4851 299.1043 -129.8418 -97.6512 762690.6844 8.4854 8.5474 PRESSURE: 2160600 -315.425 -0.413691 416.346 -0.413856 357.017 -227.832 416.345 -227.832 -58.5154 GPRESSURE: 2160600 -202.522 -34.6411 351.265 -105.127 289.402 -274.767 395.619 -211.144 1.43593 PRESSAVG: 2160600 -24.4652 -16.3901 -40.0241 -16.3901 45.7303 -31.8034 -40.0242 -31.8035 10.5231 GPRESSAVG: 2160600 -24.0721 -17.9055 -40.5784 -16.3608 44.6568 -28.8855 -39.326 -33.608 11.2396 TIMING: 2160600 CPU: 6751.32, 0.00311517/step Wall: 6751.32, 0.00311517/step, 2.457 hours remaining, 234.050781 MB of memory in use. ENERGY: 2160600 4007.9133 20388.9178 14456.1984 245.9723 -203515.4078 2971.7009 0.0000 0.0000 52076.0101 -109368.6951 299.2815 -161444.7052 -109001.2188 299.2856 -5.6411 29.4388 761446.6528 10.5961 10.6081 PRESSURE: 2160800 88.1683 159.619 60.7411 159.618 -266.066 98.2206 60.7414 98.2211 -556.904 GPRESSURE: 2160800 70.628 106.091 59.1991 169.982 -272.06 -47.874 129.475 150.947 -448.483 PRESSAVG: 2160800 -47.4159 41.8749 13.5164 41.8749 8.7246 -2.5191 13.5163 -2.51911 6.03689 GPRESSAVG: 2160800 -47.8549 40.1206 13.4855 42.3158 9.54609 -3.99449 14.7776 -0.398822 6.2238 TIMING: 2160800 CPU: 6751.94, 0.00309712/step Wall: 6751.94, 0.00309712/step, 2.44259 hours remaining, 234.050781 MB of memory in use. ENERGY: 2160800 3908.9368 20627.1763 14476.1903 239.2065 -203216.5089 2592.3762 0.0000 0.0000 52097.9841 -109274.6386 299.4078 -161372.6228 -108905.1005 299.1678 -244.9339 -216.6384 761976.6594 -10.8848 -10.6950 PRESSURE: 2161000 -171.402 15.3894 62.4447 15.3889 -108.02 141.541 62.445 141.541 58.2589 GPRESSURE: 2161000 -170.096 45.2215 27.2483 133.884 -73.2212 159.296 29.7201 153.312 89.6154 PRESSAVG: 2161000 37.7653 -1.21527 -28.9204 -1.21529 -19.0641 48.0771 -28.9204 48.0771 -1.69647 GPRESSAVG: 2161000 37.5044 0.82525 -27.737 -0.125062 -19.9043 49.3756 -28.9786 46.8247 -0.377289 TIMING: 2161000 CPU: 6752.56, 0.00309051/step Wall: 6752.56, 0.00309051/step, 2.43721 hours remaining, 234.050781 MB of memory in use. ENERGY: 2161000 4003.7455 20733.4348 14530.1294 262.4969 -203219.1461 2650.0979 0.0000 0.0000 51940.4713 -109098.7702 298.5026 -161039.2415 -108729.9571 299.5114 -73.7211 -51.2341 763355.2556 5.6682 5.7409 PRESSURE: 2161200 -59.6244 260.636 -32.1956 260.636 -209.469 148.146 -32.1961 148.147 -34.4654 GPRESSURE: 2161200 -80.3824 191.557 -35.5293 233.636 -136.713 92.2445 59.5764 160.4 10.7696 PRESSAVG: 2161200 34.6502 31.0625 -40.4619 31.0624 -33.707 48.1215 -40.4618 48.1214 1.1243 GPRESSAVG: 2161200 33.9452 31.1241 -40.9725 29.7473 -33.1579 45.6851 -40.2728 47.2898 1.29295 TIMING: 2161200 CPU: 6753.18, 0.00312616/step Wall: 6753.18, 0.00312616/step, 2.46515 hours remaining, 234.050781 MB of memory in use. ENERGY: 2161200 4051.7960 20597.1864 14422.1847 258.9898 -203204.2090 2663.8651 0.0000 0.0000 52116.6747 -109093.5122 299.5152 -161210.1870 -108734.4515 299.3955 -101.1861 -68.7753 762343.4126 0.6892 0.6934 PRESSURE: 2161400 -295.553 -40.3066 -144.474 -40.3059 -362.22 -180.316 -144.475 -180.314 -150.287 GPRESSURE: 2161400 -246.809 -12.8495 -152.603 -124.691 -286.323 -187.702 -125.884 -116.814 -183.319 PRESSAVG: 2161400 19.8519 -22.2192 1.6097 -22.2192 -32.865 15.8057 1.60966 15.8057 17.4912 GPRESSAVG: 2161400 19.6751 -21.3519 -0.532571 -21.764 -31.9274 19.9609 2.15838 15.6483 16.9653 TIMING: 2161400 CPU: 6753.82, 0.00316668/step Wall: 6753.82, 0.00316668/step, 2.49693 hours remaining, 234.050781 MB of memory in use. ENERGY: 2161400 4049.6373 20625.2333 14514.2438 257.5659 -203311.0204 2612.8389 0.0000 0.0000 52160.8874 -109090.6138 299.7693 -161251.5012 -108727.2420 299.6508 -269.3532 -238.8172 763057.1818 1.4927 1.5710 PRESSURE: 2161600 335.336 13.7154 2.23534 13.7147 61.3944 51.4981 2.23526 51.4974 34.1764 GPRESSURE: 2161600 355.216 100.345 -50.7306 57.321 69.2218 73.2488 147.785 -76.1421 87.346 PRESSAVG: 2161600 -44.3596 4.81352 -5.33933 4.81356 -9.93194 -3.81564 -5.33938 -3.81562 25.1755 GPRESSAVG: 2161600 -44.1091 2.41311 -3.82008 6.13784 -9.86032 -4.68144 -6.47571 -3.36948 24.7212 TIMING: 2161600 CPU: 6754.45, 0.00316863/step Wall: 6754.45, 0.00316863/step, 2.49829 hours remaining, 234.050781 MB of memory in use. ENERGY: 2161600 3973.7281 20586.9056 14457.6742 245.9575 -203517.9058 3166.4475 0.0000 0.0000 51975.6011 -109111.5920 298.7045 -161087.1930 -108754.5408 299.7430 143.6356 170.5947 762868.4885 -9.7054 -9.7494 PRESSURE: 2161800 214.199 -62.2493 -4.39376 -62.2498 -178.23 127.396 -4.39403 127.396 -254.316 GPRESSURE: 2161800 298.827 -84.6589 -6.43887 67.1897 -147.304 195.392 35.0927 20.0638 -295.684 PRESSAVG: 2161800 9.60303 -22.5131 -25.0118 -22.5131 -20.8524 21.1983 -25.0117 21.1983 7.32122 GPRESSAVG: 2161800 9.71632 -22.326 -24.6735 -22.3556 -21.7591 21.9998 -24.7567 21.3513 7.14127 TIMING: 2161800 CPU: 6755.09, 0.0031857/step Wall: 6755.09, 0.00318569/step, 2.51157 hours remaining, 234.050781 MB of memory in use. ENERGY: 2161800 4005.0162 20543.6713 14400.5372 241.6135 -203522.5450 2876.5995 0.0000 0.0000 52231.1957 -109223.9115 300.1734 -161455.1072 -108860.1126 299.3939 -72.7821 -48.0538 762263.3040 -1.3094 -1.6338 PRESSURE: 2162000 -27.2899 106.567 13.8865 106.566 53.8136 -212.536 13.8859 -212.536 -57.0701 GPRESSURE: 2162000 -61.4378 153.151 113.403 110.484 97.1601 -170.696 64.3162 -120.947 31.9262 PRESSAVG: 2162000 -17.6468 -27.8615 19.293 -27.8615 88.1063 -77.7678 19.2931 -77.7678 9.43302 GPRESSAVG: 2162000 -17.6739 -26.7004 18.9294 -27.4986 88.0483 -79.3893 18.2479 -76.737 9.20581 TIMING: 2162000 CPU: 6755.71, 0.00313819/step Wall: 6755.71, 0.00313819/step, 2.47394 hours remaining, 234.050781 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: 2162000 3902.2476 20412.9044 14453.8214 229.9410 -203072.9580 2779.1288 0.0000 0.0000 52085.3768 -109209.5380 299.3354 -161294.9147 -108840.3030 299.4338 -10.1821 22.5495 761512.0764 26.6309 26.5268 PRESSURE: 2162200 259.931 108.64 -107.66 108.639 68.6055 22.2544 -107.661 22.2541 95.8977 GPRESSURE: 2162200 240.212 -1.04049 -129.129 17.6364 196.814 119.647 -210.576 6.17006 84.1619 PRESSAVG: 2162200 -53.2249 -26.4958 -9.92386 -26.4958 12.2654 -5.49847 -9.92394 -5.49841 -4.72444 GPRESSAVG: 2162200 -55.1503 -27.5909 -9.32656 -26.7642 12.892 -5.18309 -10.9041 -7.58336 -3.3274 TIMING: 2162200 CPU: 6756.34, 0.00312765/step Wall: 6756.34, 0.00312765/step, 2.46545 hours remaining, 234.050781 MB of memory in use. ENERGY: 2162200 3965.1156 20567.1550 14474.4558 247.4873 -203169.0707 2694.2819 0.0000 0.0000 51999.5139 -109221.0612 298.8419 -161220.5751 -108870.0691 299.0041 141.4780 173.7294 760275.9997 -15.2280 -15.1952 PRESSURE: 2162400 517.416 -0.781471 352.157 -0.782065 135.891 122.406 352.157 122.406 215.698 GPRESSURE: 2162400 543.293 22.8477 311.488 -101.708 185.579 65.2498 257.083 99.6304 231.664 PRESSAVG: 2162400 -47.1117 -6.38564 3.19642 -6.38568 13.2084 -12.7827 3.19641 -12.7828 -10.5656 GPRESSAVG: 2162400 -44.5427 -6.0582 3.63112 -8.32489 12.9143 -13.5955 4.06983 -11.6406 -12.8127 TIMING: 2162400 CPU: 6756.96, 0.00312281/step Wall: 6756.96, 0.00312281/step, 2.46147 hours remaining, 234.050781 MB of memory in use. ENERGY: 2162400 4054.9705 20588.2763 14443.3542 244.0904 -203676.5295 3030.3189 0.0000 0.0000 51969.2348 -109346.2845 298.6679 -161315.5193 -108987.4621 299.1978 289.6684 320.1788 761813.1457 -14.8230 -14.8137 PRESSURE: 2162600 268.821 159.088 -110.241 159.088 187.847 67.4077 -110.241 67.4083 5.57183 GPRESSURE: 2162600 293.679 64.0111 -113.921 235.962 199.123 -4.67667 -176.576 74.1735 23.6979 PRESSAVG: 2162600 -9.06574 -4.51527 -56.0722 -4.51525 -17.5335 -1.66465 -56.0723 -1.66465 8.87367 GPRESSAVG: 2162600 -9.78383 -4.81751 -56.8672 -2.79071 -17.1871 -1.89845 -55.0932 -2.19732 8.4276 TIMING: 2162600 CPU: 6757.59, 0.00312238/step Wall: 6757.59, 0.00312238/step, 2.46096 hours remaining, 234.050781 MB of memory in use. ENERGY: 2162600 3984.8015 20346.7599 14442.0993 258.2380 -203760.1956 2888.0260 0.0000 0.0000 52355.0996 -109485.1713 300.8855 -161840.2709 -109117.6063 298.6934 154.0801 172.1665 761364.3055 -5.9085 -6.1811 PRESSURE: 2162800 171.799 -111.316 150.39 -111.316 10.546 6.27776 150.39 6.27804 144.89 GPRESSURE: 2162800 59.7298 -65.4474 104.187 -132.276 82.7683 -20.1294 78.4575 53.9389 251.179 PRESSAVG: 2162800 -26.9947 -2.38661 -13.7708 -2.38658 14.4799 -3.46801 -13.7707 -3.46803 23.4156 GPRESSAVG: 2162800 -28.2868 -3.39493 -12.7262 -2.69164 14.7463 -4.10775 -14.9604 -2.94167 24.7313 TIMING: 2162800 CPU: 6758.21, 0.003117/step Wall: 6758.21, 0.003117/step, 2.45654 hours remaining, 234.050781 MB of memory in use. ENERGY: 2162800 3966.9177 20585.7932 14457.5334 252.6176 -203437.4927 2759.8807 0.0000 0.0000 52115.8701 -109298.8800 299.5106 -161414.7502 -108937.4350 299.1279 109.0784 131.2256 760701.6904 3.6336 3.7303 PRESSURE: 2163000 -279.825 263.619 -6.35836 263.618 105.955 1.76702 -6.35825 1.76654 138.366 GPRESSURE: 2163000 -296.619 313.601 -13.0798 95.668 251.633 63.1428 -37.7237 -78.9583 83.7026 PRESSAVG: 2163000 -28.2847 -18.7765 -8.23008 -18.7765 34.9962 -16.2032 -8.23009 -16.2032 -15.6853 GPRESSAVG: 2163000 -27.2228 -19.4079 -7.53137 -17.9847 35.0083 -14.5857 -8.55908 -18.1013 -15.8386 TIMING: 2163000 CPU: 6758.83, 0.00311536/step Wall: 6758.83, 0.00311536/step, 2.45508 hours remaining, 234.050781 MB of memory in use. ENERGY: 2163000 3963.4676 20493.8259 14387.4594 248.2754 -203562.4244 2597.6160 0.0000 0.0000 52282.5287 -109589.2513 300.4684 -161871.7800 -109227.5322 298.5138 -11.8342 12.9058 761773.0763 -2.9913 -2.6844 PRESSURE: 2163200 337.02 41.2882 -41.543 41.2876 69.2671 -74.3932 -41.5425 -74.3934 -64.2156 GPRESSURE: 2163200 277.576 -50.523 14.0943 -51.5067 199.955 -82.5297 -55.3739 -1.32468 -41.6083 PRESSAVG: 2163200 -16.8835 16.9161 -46.3961 16.9161 42.1241 18.2392 -46.396 18.2391 23.5197 GPRESSAVG: 2163200 -17.2927 17.8752 -48.2352 13.8529 43.2946 17.5452 -44.9579 17.1537 22.6894 TIMING: 2163200 CPU: 6759.46, 0.00310708/step Wall: 6759.46, 0.00310708/step, 2.44838 hours remaining, 234.050781 MB of memory in use. ENERGY: 2163200 3964.1418 20366.4806 14430.6834 236.5560 -203456.7778 2749.7559 0.0000 0.0000 52295.8358 -109413.3243 300.5449 -161709.1601 -109050.4623 299.1001 114.0239 145.3074 760991.3035 16.2535 16.2304 PRESSURE: 2163400 -67.3128 -42.7511 -124.943 -42.7514 63.0554 -139.407 -124.942 -139.407 -52.2574 GPRESSURE: 2163400 11.9796 -41.1222 -132.213 -122.701 49.8291 -103.006 -83.7955 -137.877 -25.2775 PRESSAVG: 2163400 -52.1399 -66.1404 -46.8501 -66.1404 37.7295 -32.4941 -46.8502 -32.494 -21.1279 GPRESSAVG: 2163400 -51.9436 -64.4321 -46.4186 -65.0447 35.9227 -31.1766 -45.083 -31.9159 -19.9151 TIMING: 2163400 CPU: 6760.08, 0.00313866/step Wall: 6760.08, 0.00313866/step, 2.47309 hours remaining, 234.050781 MB of memory in use. ENERGY: 2163400 3948.6811 20478.8571 14488.8470 241.6201 -203604.8745 2771.3865 0.0000 0.0000 52136.2304 -109539.2523 299.6276 -161675.4828 -109182.5618 299.2883 -18.8382 12.1771 761689.9965 -11.8461 -11.9787 PRESSURE: 2163600 -171.086 -62.1754 176.497 -62.1756 615.393 -183.34 176.496 -183.341 -63.4749 GPRESSURE: 2163600 2.60358 -130.471 152.346 -65.5956 508.584 -175.822 184.38 -261.829 -40.492 PRESSAVG: 2163600 21.2316 -6.68999 -20.9746 -6.69005 -39.9838 -13.4292 -20.9746 -13.4291 -1.28336 GPRESSAVG: 2163600 21.6383 -10.9109 -22.2528 -2.95851 -40.0089 -15.9452 -23.2637 -12.6558 -1.81113 TIMING: 2163600 CPU: 6760.71, 0.00313357/step Wall: 6760.71, 0.00313357/step, 2.46891 hours remaining, 234.050781 MB of memory in use. ENERGY: 2163600 3970.5101 20390.3430 14445.5137 253.2487 -203900.2844 3215.1450 0.0000 0.0000 51872.7991 -109752.7248 298.1137 -161625.5238 -109387.6167 298.3694 126.9441 156.8986 762915.6452 -6.6785 -6.7272 PRESSURE: 2163800 -307.372 -163.003 57.7501 -163.002 -126.863 362.512 57.7499 362.511 -5.10664 GPRESSURE: 2163800 -359.949 -205.193 93.299 -108.912 16.3393 371.674 93.253 338.977 -21.8786 PRESSAVG: 2163800 -59.1643 -24.5401 -25.9573 -24.5401 80.6595 20.6546 -25.9574 20.6545 -9.07202 GPRESSAVG: 2163800 -59.9421 -22.6139 -24.5868 -25.203 80.7505 21.7953 -25.7654 21.7526 -8.60596 TIMING: 2163800 CPU: 6761.34, 0.00314409/step Wall: 6761.34, 0.00314409/step, 2.47702 hours remaining, 234.050781 MB of memory in use. ENERGY: 2163800 3992.9694 20576.2532 14444.9216 246.0550 -202749.6073 2138.1841 0.0000 0.0000 51785.1792 -109566.0448 297.6101 -161351.2240 -109207.2420 298.0248 -146.4472 -121.8296 761549.0217 4.1411 4.0675 PRESSURE: 2164000 -241.497 -28.3472 -333.299 -28.3484 -8.67007 -254.551 -333.3 -254.551 65.2693 GPRESSURE: 2164000 -179.568 -16.646 -245.123 -52.2871 -1.34818 -301.533 -324.711 -170.118 81.5234 PRESSAVG: 2164000 -96.5555 -30.1236 -35.0179 -30.1236 36.5505 -24.5694 -35.018 -24.5694 2.40639 GPRESSAVG: 2164000 -95.3351 -29.8971 -34.3803 -33.3799 36.6269 -24.4514 -34.1176 -24.7044 1.52274 TIMING: 2164000 CPU: 6761.97, 0.0031454/step Wall: 6761.97, 0.0031454/step, 2.47788 hours remaining, 234.050781 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: 2164000 3943.4548 20548.0562 14463.7132 261.6551 -203533.6293 2732.4501 0.0000 0.0000 51850.1656 -109734.1343 297.9836 -161584.2999 -109374.8335 297.7746 -61.6327 -33.1309 761750.5038 -19.1995 -19.0618 PRESSURE: 2164200 -188.385 -241.143 82.1205 -241.143 166.486 35.6229 82.1211 35.6217 -311.22 GPRESSURE: 2164200 -85.2804 -206.215 60.2141 -186.146 87.2028 -93.2276 78.3391 97.1334 -240.927 PRESSAVG: 2164200 -97.1159 -77.6883 -14.2068 -77.6883 72.2932 28.5066 -14.2067 28.5066 9.16237 GPRESSAVG: 2164200 -97.3527 -75.8911 -15.4234 -77.1916 72.6401 26.8775 -16.2086 29.5635 9.2435 TIMING: 2164200 CPU: 6762.6, 0.00316823/step Wall: 6762.6, 0.00316823/step, 2.49568 hours remaining, 234.050781 MB of memory in use. ENERGY: 2164200 4026.9990 20430.6594 14575.6156 266.5419 -203531.4496 2689.0247 0.0000 0.0000 51923.4427 -109619.1662 298.4047 -161542.6090 -109254.0114 298.4794 -111.0398 -79.6682 760667.0593 -5.2201 -5.1564 LDB: ============= START OF LOAD BALANCING ============== 6775.08 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6775.08 LDB: =============== DONE WITH MIGRATION ================ 6775.08 LDB: ============= START OF LOAD BALANCING ============== 6775.4 LDB: Largest compute 7058 load 0.031469 is 16.1% of average load 0.195069 LDB: Average compute 0.004414 is 2.3% of average load 0.195069 LDB: TIME 6775.4 LOAD: AVG 0.195069 MAX 0.216586 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.82 MB LDB: TIME 6775.4 LOAD: AVG 0.195069 MAX 0.216586 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.82 MB LDB: TIME 6775.4 LOAD: AVG 0.195069 MAX 0.216586 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.82 MB LDB: ============== END OF LOAD BALANCING =============== 6775.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6775.41 PRESSURE: 2164400 23.1228 -187.249 -11.4265 -187.249 55.5946 -65.4135 -11.4245 -65.4137 67.6539 GPRESSURE: 2164400 -26.1324 -229.666 58.4306 -87.72 109.424 -40.5709 -10.8899 -102.878 150.335 PRESSAVG: 2164400 9.49194 2.31061 -20.1211 2.31062 55.0207 -30.4215 -20.121 -30.4215 7.8176 GPRESSAVG: 2164400 8.81397 1.64222 -18.3637 3.05801 54.6953 -29.1064 -17.9852 -31.819 8.78441 TIMING: 2164400 CPU: 6763.24, 0.00321308/step Wall: 6763.24, 0.00321308/step, 2.53084 hours remaining, 233.335938 MB of memory in use. ENERGY: 2164400 3961.2753 20394.4444 14446.7032 260.9100 -203407.9817 2808.5573 0.0000 0.0000 51778.2245 -109757.8670 297.5702 -161536.0915 -109398.7348 298.2416 48.7904 77.8754 761872.3419 24.1101 24.0979 PRESSURE: 2164600 29.737 453.441 -136.427 453.441 324.962 235.448 -136.427 235.447 -169.919 GPRESSURE: 2164600 101.135 430.287 -203.523 306.228 366.822 148.998 -93.6116 238.566 -198.177 PRESSAVG: 2164600 -6.78633 -26.282 -56.9268 -26.2819 -15.632 -43.962 -56.9268 -43.962 -16.1868 GPRESSAVG: 2164600 -5.39723 -25.0775 -59.7932 -27.6063 -15.868 -45.1898 -57.4538 -44.3878 -17.3002 TIMING: 2164600 CPU: 6763.87, 0.00313125/step Wall: 6763.87, 0.00313125/step, 2.46621 hours remaining, 233.335938 MB of memory in use. ENERGY: 2164600 4019.2023 20461.9753 14436.6738 238.4848 -203409.1994 2769.5861 0.0000 0.0000 51746.8026 -109736.4745 297.3896 -161483.2771 -109382.3543 298.0856 61.5931 89.9265 762277.3399 -12.8684 -12.8552 PRESSURE: 2164800 -53.5154 -4.48927 -42.3682 -4.48855 -372.659 -125.815 -42.3679 -125.816 -618.143 GPRESSURE: 2164800 -36.9573 26.0061 -16.8727 -9.09321 -280.155 -83.7509 -47.0714 -190.353 -611.057 PRESSAVG: 2164800 -48.0977 -40.1148 -44.4099 -40.1148 76.4525 -43.5754 -44.4099 -43.5755 -0.896976 GPRESSAVG: 2164800 -48.7932 -41.6884 -44.6418 -37.2734 76.4674 -42.2697 -42.6522 -44.3091 -0.599914 TIMING: 2164800 CPU: 6764.5, 0.00315197/step Wall: 6764.5, 0.00315197/step, 2.48235 hours remaining, 233.335938 MB of memory in use. ENERGY: 2164800 4058.4988 20447.8257 14343.5417 231.9595 -203386.7890 2681.1071 0.0000 0.0000 51954.8886 -109668.9676 298.5855 -161623.8562 -109310.0714 298.2252 -348.1058 -309.3897 762423.1500 9.1526 9.0248 PRESSURE: 2165000 -174.732 -57.3128 -51.3891 -57.3135 -45.085 62.7256 -51.3889 62.7251 -338.346 GPRESSURE: 2165000 -160.241 -117.096 -9.94841 -143.186 -54.7527 36.5608 -63.7003 51.9908 -260.958 PRESSAVG: 2165000 43.9901 10.5222 -54.5034 10.5223 24.8557 6.80282 -54.5034 6.80277 7.99432 GPRESSAVG: 2165000 43.6904 10.0891 -54.1128 9.10991 24.592 8.63839 -56.2879 8.30181 7.92974 TIMING: 2165000 CPU: 6765.12, 0.00311474/step Wall: 6765.12, 0.00311474/step, 2.45286 hours remaining, 233.335938 MB of memory in use. ENERGY: 2165000 4033.6365 20579.5289 14465.7949 223.0984 -203055.8432 2568.8095 0.0000 0.0000 51726.7478 -109458.2272 297.2743 -161184.9751 -109090.6793 298.7736 -186.0543 -158.6506 761856.8780 25.6134 25.4040 PRESSURE: 2165200 -343.651 -158.444 -100.888 -158.444 262.736 -119.201 -100.888 -119.201 -264.298 GPRESSURE: 2165200 -311.596 -116.022 -97.9394 -170.131 188.913 -167.827 -147.964 -17.3987 -153.785 PRESSAVG: 2165200 -16.3698 2.19223 -24.6297 2.19219 30.7063 42.8116 -24.6298 42.8117 14.8219 GPRESSAVG: 2165200 -15.5028 4.79174 -24.5742 2.98995 30.401 40.4215 -25.7431 43.3876 14.3367 TIMING: 2165200 CPU: 6765.76, 0.00316755/step Wall: 6765.76, 0.00316755/step, 2.49427 hours remaining, 233.335938 MB of memory in use. ENERGY: 2165200 3995.5912 20549.9634 14476.3664 250.6496 -203643.0470 2934.3464 0.0000 0.0000 51959.9496 -109476.1805 298.6145 -161436.1300 -109104.6609 298.8485 -115.0708 -92.1561 760903.7070 9.7195 9.7450 PRESSURE: 2165400 179.149 -11.2303 -47.1843 -11.2315 -192.685 60.4983 -47.1852 60.4988 -275.614 GPRESSURE: 2165400 149.358 -163.547 77.1158 140.421 -117.993 -43.3801 -10.621 -1.58901 -249.02 PRESSAVG: 2165400 -43.6591 -31.1286 18.5465 -31.1286 7.78484 67.8563 18.5465 67.8563 17.5825 GPRESSAVG: 2165400 -45.1661 -31.1243 18.5198 -32.7926 8.22554 67.3538 19.5517 67.7101 17.7209 TIMING: 2165400 CPU: 6766.39, 0.00314272/step Wall: 6766.39, 0.00314272/step, 2.47454 hours remaining, 233.335938 MB of memory in use. ENERGY: 2165400 4075.9144 20352.9767 14469.5904 245.0577 -203411.8737 2697.2767 0.0000 0.0000 52102.8445 -109468.2133 299.4358 -161571.0578 -109104.2090 298.5106 -96.3833 -72.5515 760884.8219 -6.0972 -6.4066 PRESSURE: 2165600 13.4355 -13.205 -57.9946 -13.2051 -30.7932 127.135 -57.9953 127.133 -76.4309 GPRESSURE: 2165600 36.9627 95.6986 -175.038 -100.822 49.9983 68.9903 32.055 132.718 -96.3399 PRESSAVG: 2165600 -36.5031 -3.64798 -67.6056 -3.64797 -12.5064 -1.54224 -67.6056 -1.54224 -4.49793 GPRESSAVG: 2165600 -36.0181 -3.87095 -67.2112 -1.33422 -11.1801 -1.91568 -67.7687 -3.91366 -5.40468 TIMING: 2165600 CPU: 6767.01, 0.00314151/step Wall: 6767.01, 0.00314151/step, 2.47341 hours remaining, 233.335938 MB of memory in use. ENERGY: 2165600 4089.5756 20523.3701 14431.0313 225.9763 -203290.8602 2734.3746 0.0000 0.0000 51873.8728 -109412.6595 298.1199 -161286.5323 -109064.8292 298.9442 -31.2629 -3.1263 763202.2945 -17.8358 -17.5343 PRESSURE: 2165800 -216.108 -29.4103 -100.512 -29.4101 -107.947 -26.851 -100.512 -26.8507 -47.465 GPRESSURE: 2165800 -185.988 -78.1011 -41.0675 29.8159 -49.2069 -51.9255 -154.593 168.646 -67.0618 PRESSAVG: 2165800 -18.9831 -55.0204 0.702193 -55.0204 10.3857 -11.9736 0.702266 -11.9736 -7.41157 GPRESSAVG: 2165800 -17.8443 -55.278 1.78247 -56.3028 9.18689 -10.0738 -0.00678424 -11.4788 -7.01959 TIMING: 2165800 CPU: 6767.64, 0.0031512/step Wall: 6767.64, 0.0031512/step, 2.48087 hours remaining, 233.335938 MB of memory in use. ENERGY: 2165800 3998.8934 20497.7988 14498.4130 235.8707 -203269.5704 2617.4914 0.0000 0.0000 51941.2145 -109479.8886 298.5069 -161421.1030 -109111.4654 298.5171 -123.8401 -100.7522 762887.9719 -5.3363 -5.2257 PRESSURE: 2166000 -182.384 -109.47 -121.7 -109.47 315.325 30.1961 -121.7 30.1964 240.628 GPRESSURE: 2166000 -73.3189 -11.7902 -145.883 -93.555 337.898 78.7352 17.0162 12.6838 183.549 PRESSAVG: 2166000 18.0409 -38.7318 -54.3978 -38.7318 -5.77095 -69.8178 -54.3978 -69.8178 -5.89223 GPRESSAVG: 2166000 17.5459 -39.0556 -54.9501 -39.235 -5.58198 -70.5131 -54.6765 -68.7972 -5.5578 TIMING: 2166000 CPU: 6768.27, 0.00315018/step Wall: 6768.27, 0.00315018/step, 2.47989 hours remaining, 233.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2166000 3991.4881 20406.8056 14463.7926 244.8816 -203578.2137 2917.1011 0.0000 0.0000 52046.2519 -109507.8928 299.1105 -161554.1447 -109144.1468 298.5667 124.5233 149.3760 761803.4383 2.1259 2.1354 PRESSURE: 2166200 -215.372 178.466 -123.616 178.466 278.414 36.9325 -123.617 36.9332 -282.045 GPRESSURE: 2166200 -152.933 103.365 -116.858 57.0209 206.559 1.08889 -77.7799 125.608 -208.504 PRESSAVG: 2166200 -15.1737 -55.6247 26.6956 -55.6247 20.2313 2.42997 26.6956 2.42996 -0.205661 GPRESSAVG: 2166200 -15.482 -55.2585 25.9494 -56.7651 19.8119 3.76754 27.1054 0.711687 0.559562 TIMING: 2166200 CPU: 6768.9, 0.00311603/step Wall: 6768.9, 0.00311603/step, 2.45283 hours remaining, 233.335938 MB of memory in use. ENERGY: 2166200 4010.8905 20551.7868 14481.8456 234.5380 -203289.6918 2564.8622 0.0000 0.0000 51735.1846 -109710.5840 297.3228 -161445.7686 -109345.7754 298.3973 -73.0010 -51.6259 761754.0646 1.6173 1.6298 PRESSURE: 2166400 -34.1107 148.454 99.7488 148.453 -22.732 -17.2726 99.7482 -17.2724 177.536 GPRESSURE: 2166400 116.349 111.231 10.7592 104.635 -102.985 87.5419 81.3364 -52.1309 190.254 PRESSAVG: 2166400 -31.3624 -28.8139 -11.9543 -28.8138 40.9129 42.4591 -11.9543 42.4591 -5.19708 GPRESSAVG: 2166400 -30.6632 -29.0003 -11.6478 -26.366 41.4617 42.7408 -11.5669 44.1533 -6.25608 TIMING: 2166400 CPU: 6769.53, 0.00314921/step Wall: 6769.53, 0.00314921/step, 2.47878 hours remaining, 233.335938 MB of memory in use. ENERGY: 2166400 3939.4629 20557.5676 14498.7156 226.9118 -203914.8849 3033.5772 0.0000 0.0000 51913.6533 -109744.9965 298.3485 -161658.6498 -109391.8743 298.3130 40.2313 67.8724 762372.5468 1.4512 1.5141 PRESSURE: 2166600 156.914 -0.467016 169.871 -0.467741 136.871 -138.791 169.87 -138.792 461.2 GPRESSURE: 2166600 228.148 -9.81758 108.532 -30.8617 110.207 -138.395 188.476 -142.253 510.192 PRESSAVG: 2166600 -26.0994 33.4151 18.5086 33.415 45.2185 12.9285 18.5086 12.9285 -4.95022 GPRESSAVG: 2166600 -27.263 32.8262 16.9061 33.0031 45.3818 11.9634 18.4144 15.044 -4.02741 TIMING: 2166600 CPU: 6770.15, 0.00311163/step Wall: 6770.15, 0.00311163/step, 2.44903 hours remaining, 233.335938 MB of memory in use. ENERGY: 2166600 3974.9399 20425.2968 14443.8003 247.3093 -203204.9294 2638.9701 0.0000 0.0000 51660.5746 -109814.0382 296.8940 -161474.6129 -109443.9344 297.9155 251.6617 282.8491 762237.8372 4.7230 4.6971 PRESSURE: 2166800 -124.585 28.3457 -25.1289 28.3451 -14.305 -224.808 -25.1291 -224.807 -379.837 GPRESSURE: 2166800 -106.795 81.6727 -44.3333 94.2182 116.359 -202.323 109.596 -142.741 -439.609 PRESSAVG: 2166800 -31.4151 -16.672 26.0752 -16.6721 50.5285 -16.4227 26.0752 -16.4228 -25.906 GPRESSAVG: 2166800 -29.5092 -17.6515 27.5162 -16.3954 49.8859 -16.193 27.0828 -18.6178 -26.6124 TIMING: 2166800 CPU: 6770.77, 0.00312016/step Wall: 6770.77, 0.00312016/step, 2.45556 hours remaining, 233.335938 MB of memory in use. ENERGY: 2166800 4065.5729 20447.8144 14418.5810 236.4634 -203546.7105 2777.1872 0.0000 0.0000 51967.3882 -109633.7034 298.6573 -161601.0916 -109279.4027 298.4642 -172.9089 -143.3482 762982.2724 -2.2642 -2.0786 PRESSURE: 2167000 -143.485 -198.771 25.5372 -198.771 300.01 72.1774 25.5365 72.1784 -167.356 GPRESSURE: 2167000 -161.67 -138.112 158.066 -103.439 346.745 47.022 145.736 29.3021 -112.152 PRESSAVG: 2167000 -52.4425 -7.41467 -10.0141 -7.41468 38.8635 -49.7 -10.014 -49.7 15.872 GPRESSAVG: 2167000 -53.1201 -6.51392 -7.47332 -8.33812 38.4775 -49.699 -12.897 -49.4059 17.5351 TIMING: 2167000 CPU: 6771.4, 0.00314536/step Wall: 6771.4, 0.00314536/step, 2.47522 hours remaining, 233.335938 MB of memory in use. ENERGY: 2167000 3971.6223 20439.4015 14459.1630 254.7074 -203512.9282 2744.3826 0.0000 0.0000 51906.8350 -109736.8164 298.3093 -161643.6514 -109380.5151 298.2623 -3.6102 24.3074 762834.0500 0.7643 0.9642 PRESSURE: 2167200 -153.656 90.6897 -73.3233 90.6906 -269.011 236.348 -73.3236 236.348 152.699 GPRESSURE: 2167200 -95.4091 131.631 -105.08 33.457 -210.884 227.084 -39.7896 226.377 107.746 PRESSAVG: 2167200 -18.5241 -18.048 -10.3244 -18.048 30.3936 -39.8745 -10.3244 -39.8745 0.787114 GPRESSAVG: 2167200 -18.4925 -17.9391 -11.996 -18.8396 31.8251 -39.5199 -10.9264 -40.3192 -0.399379 TIMING: 2167200 CPU: 6772.03, 0.00313121/step Wall: 6772.03, 0.00313121/step, 2.46391 hours remaining, 233.335938 MB of memory in use. ENERGY: 2167200 3987.9953 20410.1058 14417.1369 268.9353 -203232.9818 2626.5976 0.0000 0.0000 51748.2554 -109773.9555 297.3979 -161522.2109 -109422.1804 297.6001 -89.9893 -66.1823 762927.9160 4.2189 4.3111 PRESSURE: 2167400 -172.898 45.6439 188.289 45.6439 -208.064 -311.795 188.29 -311.796 302.991 GPRESSURE: 2167400 -143.405 -2.26644 269.962 57.4707 -201.326 -261.6 203.626 -179.346 353.498 PRESSAVG: 2167400 -19.3801 40.4025 -12.8758 40.4025 11.6006 -15.8057 -12.8758 -15.8056 3.0092 GPRESSAVG: 2167400 -19.2026 38.8341 -13.8588 39.9931 11.149 -16.7954 -9.22744 -15.3769 3.17138 TIMING: 2167400 CPU: 6772.65, 0.00311387/step Wall: 6772.65, 0.00311387/step, 2.4501 hours remaining, 233.335938 MB of memory in use. ENERGY: 2167400 3984.2867 20404.8157 14421.1023 230.4786 -203495.5758 2930.5891 0.0000 0.0000 52006.2465 -109518.0569 298.8806 -161524.3034 -109162.9303 298.1027 -25.9901 2.9222 762266.8349 -1.5901 -1.6274 PRESSURE: 2167600 209.159 -176.141 33.0849 -176.142 -11.189 -252.181 33.0851 -252.181 54.4931 GPRESSURE: 2167600 247.126 -186.343 32.2104 -218.953 -7.69255 -158.22 -70.3857 -180.474 98.5592 PRESSAVG: 2167600 -5.5501 -54.2805 17.1355 -54.2804 16.6069 -22.389 17.1355 -22.389 19.3571 GPRESSAVG: 2167600 -5.3503 -53.8007 16.8892 -51.8711 16.1883 -21.6249 16.7166 -22.9337 18.9154 TIMING: 2167600 CPU: 6773.28, 0.00312726/step Wall: 6773.28, 0.00312726/step, 2.46046 hours remaining, 233.335938 MB of memory in use. ENERGY: 2167600 3917.1239 20465.6452 14477.7185 249.1494 -203553.0640 3095.8200 0.0000 0.0000 52059.8304 -109287.7765 299.1886 -161347.6069 -108925.5191 298.3951 84.1544 112.6642 761244.7200 10.1380 9.9178 PRESSURE: 2167800 -42.396 0.418193 -202.716 0.418303 -194.188 44.2539 -202.716 44.2542 -35.454 GPRESSURE: 2167800 -22.6553 -8.40298 -92.2169 -95.9183 -51.7949 48.1705 -109.643 58.7023 -117.596 PRESSAVG: 2167800 -17.7787 8.61522 -19.7169 8.6152 6.82577 -5.9267 -19.7169 -5.92668 9.69555 GPRESSAVG: 2167800 -17.507 8.3645 -19.0621 8.45276 6.87215 -5.25327 -22.0522 -4.84334 9.58168 TIMING: 2167800 CPU: 6773.9, 0.00311311/step Wall: 6773.9, 0.00311311/step, 2.44915 hours remaining, 233.335938 MB of memory in use. ENERGY: 2167800 4003.7036 20583.5326 14462.7618 219.3322 -203866.4401 3043.7852 0.0000 0.0000 52177.6336 -109375.6911 299.8656 -161553.3247 -109005.8968 298.4745 -90.6794 -64.0153 762356.8699 -0.4191 -0.3510 PRESSURE: 2168000 274.971 -120.9 16.1703 -120.901 78.7649 -195.439 16.1702 -195.44 -353.363 GPRESSURE: 2168000 229.006 -215.651 -4.54903 -171.978 124.294 -155.524 78.4048 -214.671 -270.846 PRESSAVG: 2168000 -12.6797 -31.3517 -30.7355 -31.3516 18.2018 -25.8622 -30.7354 -25.8622 -7.29195 GPRESSAVG: 2168000 -14.2072 -30.2709 -29.2327 -31.4574 18.9804 -25.8922 -30.0304 -27.2574 -6.218 TIMING: 2168000 CPU: 6774.53, 0.00313039/step Wall: 6774.53, 0.00313039/step, 2.46257 hours remaining, 233.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2168000 4006.2496 20483.7915 14424.8821 254.6649 -203638.1434 2770.7241 0.0000 0.0000 52344.9044 -109352.9267 300.8269 -161697.8311 -108997.0566 298.9669 0.1241 27.4847 762886.4639 -0.5899 -0.4816 PRESSURE: 2168200 -221.45 -46.1993 -65.4736 -46.2001 196.738 -47.6562 -65.4739 -47.6565 -445.131 GPRESSURE: 2168200 -157.462 -45.3382 -106.803 1.70384 182.846 9.60697 -11.11 -134.346 -417.476 PRESSAVG: 2168200 31.5534 -62.2222 -24.6725 -62.2222 -31.1542 33.0541 -24.6725 33.0541 -14.8393 GPRESSAVG: 2168200 31.7266 -61.1793 -26.8633 -61.2111 -30.3881 33.7861 -25.8959 31.2687 -16.0229 TIMING: 2168200 CPU: 6775.15, 0.0031126/step Wall: 6775.15, 0.0031126/step, 2.44841 hours remaining, 233.335938 MB of memory in use. ENERGY: 2168200 3943.7796 20408.0068 14504.4859 236.8753 -203607.8833 2856.3542 0.0000 0.0000 52150.2823 -109508.0992 299.7084 -161658.3815 -109151.1857 298.8644 -156.6146 -130.6971 761968.4448 -4.8134 -4.8948 LDB: ============= START OF LOAD BALANCING ============== 6787.63 LDB: ============== END OF LOAD BALANCING =============== 6787.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6787.63 LDB: ============= START OF LOAD BALANCING ============== 6787.94 LDB: Largest compute 7058 load 0.030922 is 15.9% of average load 0.194948 LDB: Average compute 0.004412 is 2.3% of average load 0.194948 LDB: TIME 6787.95 LOAD: AVG 0.194948 MAX 0.220205 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.848 MB LDB: TIME 6787.95 LOAD: AVG 0.194948 MAX 0.220205 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.848 MB LDB: TIME 6787.95 LOAD: AVG 0.194948 MAX 0.216316 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.848 MB LDB: ============== END OF LOAD BALANCING =============== 6787.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6787.95 PRESSURE: 2168400 -536.792 -69.1164 -37.162 -69.1152 -51.0626 -10.1508 -37.1626 -10.1507 -92.3329 GPRESSURE: 2168400 -483.391 -90.3208 -3.69257 32.6528 9.88252 3.70279 -94.5918 7.69386 -114.852 PRESSAVG: 2168400 -47.9267 -1.42461 -49.2748 -1.42461 27.7273 -37.0581 -49.2749 -37.0581 -15.4716 GPRESSAVG: 2168400 -47.7565 -0.608163 -49.1274 -2.26739 27.9363 -37.2413 -47.4262 -35.3872 -15.728 TIMING: 2168400 CPU: 6775.79, 0.00319704/step Wall: 6775.79, 0.00319704/step, 2.51465 hours remaining, 233.539062 MB of memory in use. ENERGY: 2168400 4043.5484 20482.6091 14372.7378 239.5477 -203427.4469 2884.2925 0.0000 0.0000 51809.2679 -109595.4435 297.7486 -161404.7114 -109229.4340 298.6606 -226.7293 -196.1203 762786.2897 -11.8903 -11.8494 PRESSURE: 2168600 -159.346 -76.7398 -66.4333 -76.7407 130.261 -260.109 -66.4333 -260.109 -23.1004 GPRESSURE: 2168600 -63.7327 -20.0749 -127.727 -98.4312 61.0027 -264.29 -42.4289 -90.0659 18.2562 PRESSAVG: 2168600 -89.7478 -25.7207 29.3221 -25.7207 78.1179 -13.1156 29.322 -13.1158 -24.196 GPRESSAVG: 2168600 -88.8255 -25.6684 30.9234 -26.2814 76.2959 -16.3296 28.6265 -11.0372 -23.1799 TIMING: 2168600 CPU: 6776.41, 0.00311807/step Wall: 6776.41, 0.00311807/step, 2.45236 hours remaining, 233.539062 MB of memory in use. ENERGY: 2168600 3987.2730 20424.6695 14388.9365 245.3393 -203548.3523 2929.2930 0.0000 0.0000 51973.2565 -109599.5846 298.6910 -161572.8411 -109239.7438 298.0899 -17.3949 5.1754 763003.8382 -11.9420 -11.9032 PRESSURE: 2168800 -149.822 64.742 109.693 64.7427 -25.8685 -242.772 109.692 -242.772 217.06 GPRESSURE: 2168800 -138.847 61.7938 111.39 59.7638 17.2744 -152.278 55.2678 -277.593 251.111 PRESSAVG: 2168800 -13.304 48.4548 -59.6011 48.4548 29.7667 -47.915 -59.6011 -47.9151 5.70804 GPRESSAVG: 2168800 -13.8191 45.9772 -60.5867 48.3631 30.3815 -46.1312 -57.9347 -47.8166 5.54123 TIMING: 2168800 CPU: 6777.04, 0.00313593/step Wall: 6777.04, 0.00313593/step, 2.46624 hours remaining, 233.539062 MB of memory in use. ENERGY: 2168800 3975.0000 20464.9853 14462.6129 232.8871 -203505.9603 2906.2142 0.0000 0.0000 51752.1694 -109712.0916 297.4204 -161464.2609 -109361.9289 297.8467 13.7900 43.1793 761925.7059 7.3903 7.3679 PRESSURE: 2169000 15.6789 -203.443 231.699 -203.443 -3.68044 205.733 231.7 205.732 276.266 GPRESSURE: 2169000 -21.163 -106.211 274.13 -166.033 81.7582 65.6844 122.856 65.4292 318.304 PRESSAVG: 2169000 -30.5687 17.1327 26.7378 17.1327 58.1226 -58.2281 26.7377 -58.2281 -12.1277 GPRESSAVG: 2169000 -30.0862 18.1397 26.3488 16.6445 58.9242 -58.351 25.7819 -61.2366 -13.197 TIMING: 2169000 CPU: 6777.66, 0.00310893/step Wall: 6777.66, 0.00310893/step, 2.44483 hours remaining, 233.539062 MB of memory in use. ENERGY: 2169000 3999.4369 20515.7502 14385.8252 234.2732 -203453.4600 2902.0416 0.0000 0.0000 51951.4426 -109464.6903 298.5657 -161416.1329 -109104.5335 298.2638 96.0880 126.2996 762266.3652 5.1421 5.2137 PRESSURE: 2169200 -251.435 -28.3621 -52.5181 -28.3619 -380.128 -122.095 -52.5179 -122.095 181.652 GPRESSURE: 2169200 -230.61 17.9316 -48.9806 -43.0577 -288.508 -178.514 -27.5223 27.8878 160.513 PRESSAVG: 2169200 -63.2065 4.58006 1.87708 4.57998 66.5845 -41.9582 1.87707 -41.9583 -3.96872 GPRESSAVG: 2169200 -64.3429 3.73409 2.52804 6.01906 66.435 -42.3043 2.13977 -42.4809 -1.77078 TIMING: 2169200 CPU: 6778.29, 0.00314393/step Wall: 6778.29, 0.00314393/step, 2.47218 hours remaining, 233.539062 MB of memory in use. ENERGY: 2169200 4021.0258 20370.0482 14445.1268 282.3514 -203062.0711 2464.6165 0.0000 0.0000 52188.1112 -109290.7913 299.9258 -161478.9025 -108930.9551 298.9963 -149.9702 -119.5352 762625.7253 -0.1969 0.1071 PRESSURE: 2169400 -142.138 -107.726 162.527 -107.727 318.174 -81.7469 162.527 -81.7462 199.718 GPRESSURE: 2169400 -37.2891 -145.217 213.548 -44.6296 225.374 -21.9409 65.6904 -146.614 266.052 PRESSAVG: 2169400 4.64453 15.1517 -13.8855 15.1517 34.0474 -6.75372 -13.8856 -6.75368 1.15623 GPRESSAVG: 2169400 5.99916 16.2654 -13.2838 14.6896 33.6092 -5.09326 -15.6054 -4.80375 -0.0786271 TIMING: 2169400 CPU: 6778.92, 0.00315129/step Wall: 6778.92, 0.00315129/step, 2.47779 hours remaining, 233.539062 MB of memory in use. ENERGY: 2169400 4007.6405 20709.9685 14452.9468 239.9313 -203253.2273 2594.4303 0.0000 0.0000 51939.0065 -109309.3034 298.4942 -161248.3100 -108943.6396 299.0645 125.2515 151.3789 762497.5932 13.2827 13.1766 PRESSURE: 2169600 229.752 146.077 111.215 146.077 -11.4933 -179.895 111.215 -179.895 125.335 GPRESSURE: 2169600 245.686 246.3 130.337 78.704 100.775 -168.494 144.465 -271.785 99.187 PRESSAVG: 2169600 7.16278 30.0882 -6.1509 30.0882 30.1618 -15.1814 -6.15089 -15.1815 -5.27251 GPRESSAVG: 2169600 6.85641 31.5791 -6.15903 29.3777 31.1536 -16.9212 -4.19871 -14.416 -5.59259 TIMING: 2169600 CPU: 6779.55, 0.00315836/step Wall: 6779.55, 0.00315836/step, 2.48317 hours remaining, 233.539062 MB of memory in use. ENERGY: 2169600 3881.4642 20397.5248 14509.3555 251.3566 -203445.3576 2892.4102 0.0000 0.0000 52287.2573 -109225.9891 300.4956 -161513.2464 -108845.4951 299.0867 114.5311 148.5492 762198.8657 10.6840 10.8058 PRESSURE: 2169800 -36.4152 156.117 -148.99 156.118 -299.454 43.9424 -148.989 43.9426 -438.95 GPRESSURE: 2169800 78.216 53.5955 -148.475 137.595 -331.429 99.0775 -31.5561 -67.6844 -408.302 PRESSAVG: 2169800 8.39382 30.2264 -34.9245 30.2263 -19.5818 -41.767 -34.9245 -41.767 2.89672 GPRESSAVG: 2169800 8.65184 26.6189 -36.9974 31.525 -20.7336 -41.9372 -34.0489 -43.1768 4.01121 TIMING: 2169800 CPU: 6780.18, 0.00314888/step Wall: 6780.18, 0.00314888/step, 2.47554 hours remaining, 233.539062 MB of memory in use. ENERGY: 2169800 3954.6769 20524.8627 14418.9423 260.7190 -202771.6267 2525.7515 0.0000 0.0000 51958.5995 -109128.0747 298.6068 -161086.6743 -108762.1647 299.4899 -258.2732 -220.5050 763559.5352 -2.7638 -2.6902 PRESSURE: 2170000 -167.124 -99.9567 -50.5823 -99.9564 -7.82669 -202.754 -50.5826 -202.755 88.4434 GPRESSURE: 2170000 -125.063 -139.354 -44.0158 -142.124 57.723 -123.032 -68.6914 -169.52 64.9843 PRESSAVG: 2170000 38.4005 -2.13877 24.7556 -2.13873 -43.3314 7.36866 24.7556 7.36862 14.2586 GPRESSAVG: 2170000 38.4287 -0.669459 25.5257 -3.31632 -41.8882 8.14557 24.2114 8.91637 12.9345 TIMING: 2170000 CPU: 6780.81, 0.00315019/step Wall: 6780.81, 0.00315019/step, 2.4764 hours remaining, 233.539062 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: 2170000 3936.2771 20508.7212 14523.9130 240.4588 -203148.8736 2788.9320 0.0000 0.0000 52189.0034 -108961.5682 299.9309 -161150.5717 -108607.5652 299.5029 -28.8357 -0.7854 762731.2388 3.1093 3.1584 PRESSURE: 2170200 174.746 -118.968 143.036 -118.967 -332.627 202.897 143.037 202.896 43.7441 GPRESSURE: 2170200 128.275 -38.034 95.8995 9.41345 -264.938 102.348 24.8601 103.196 97.6094 PRESSAVG: 2170200 63.1518 -20.7605 -14.1963 -20.7605 -19.5255 -24.0847 -14.1963 -24.0847 23.6956 GPRESSAVG: 2170200 62.3001 -19.6557 -14.2223 -20.4905 -20.3492 -25.0215 -14.287 -25.3038 25.2376 TIMING: 2170200 CPU: 6781.44, 0.00314537/step Wall: 6781.44, 0.00314537/step, 2.47244 hours remaining, 233.539062 MB of memory in use. ENERGY: 2170200 3898.9010 20478.4427 14474.9663 229.5722 -203212.5520 2955.5876 0.0000 0.0000 52172.7085 -109002.3738 299.8373 -161175.0823 -108641.2901 299.5067 -38.0458 -13.0179 763992.4337 22.4406 22.3962 PRESSURE: 2170400 202.216 141.199 56.3097 141.199 280.846 146.048 56.31 146.048 350.826 GPRESSURE: 2170400 390.259 208.454 152.673 25.4749 223.508 69.6592 -123.582 93.862 296.742 PRESSAVG: 2170400 61.8493 -30.803 -26.7136 -30.8031 -63.7771 35.7801 -26.7136 35.7801 2.71978 GPRESSAVG: 2170400 62.6479 -30.5923 -27.9814 -31.0235 -63.9645 35.2183 -28.1202 34.6347 1.79537 TIMING: 2170400 CPU: 6782.07, 0.00313737/step Wall: 6782.07, 0.00313737/step, 2.46597 hours remaining, 233.539062 MB of memory in use. ENERGY: 2170400 3981.9238 20579.8947 14451.0760 248.5974 -203266.8972 3005.6914 0.0000 0.0000 52113.4681 -108886.2457 299.4968 -160999.7138 -108521.6474 299.8370 277.9628 303.5029 763265.6998 0.2640 0.1596 PRESSURE: 2170600 -432.941 113.862 -227.956 113.863 -97.0661 -216.906 -227.956 -216.905 -146.802 GPRESSURE: 2170600 -330.785 105.782 -124.953 74.4025 -166.805 -300.066 -236.169 -85.9101 -89.2437 PRESSAVG: 2170600 3.95048 39.572 9.63088 39.572 13.9283 32.1846 9.63096 32.1846 24.8819 GPRESSAVG: 2170600 3.15531 36.8941 12.0748 40.1627 13.6197 33.5936 9.58349 33.7662 25.9387 TIMING: 2170600 CPU: 6782.7, 0.00316335/step Wall: 6782.7, 0.00316335/step, 2.48622 hours remaining, 233.539062 MB of memory in use. ENERGY: 2170600 4024.8796 20556.5152 14422.7517 243.1653 -202965.1369 2553.3111 0.0000 0.0000 52303.9430 -108860.5711 300.5915 -161164.5141 -108489.4753 300.2148 -225.6029 -195.6111 762510.7318 14.2536 14.2379 PRESSURE: 2170800 -257.429 73.9946 92.4019 73.9943 -152.991 -42.7331 92.4009 -42.7335 105.969 GPRESSURE: 2170800 -232.965 124.576 102.877 177.752 -154.947 -79.1493 78.9318 -28.4128 153.804 PRESSAVG: 2170800 37.0315 14.9119 35.6728 14.9119 21.3733 16.9383 35.6728 16.9383 18.2847 GPRESSAVG: 2170800 36.7618 18.222 35.68 13.7793 21.7397 14.9462 35.8409 18.3207 18.6023 TIMING: 2170800 CPU: 6783.33, 0.0031534/step Wall: 6783.33, 0.0031534/step, 2.47822 hours remaining, 233.539062 MB of memory in use. ENERGY: 2170800 4050.1131 20570.8507 14435.0147 250.8052 -202513.8637 2382.6895 0.0000 0.0000 52053.0763 -108771.3141 299.1497 -160824.3904 -108425.8710 299.7737 -101.4839 -78.0361 763347.2931 25.5632 25.7013 PRESSURE: 2171000 -91.9417 -100.329 264.701 -100.33 84.7644 319.532 264.701 319.53 -193.194 GPRESSURE: 2171000 -46.0734 -104.284 284.143 -64.0851 95.844 265.888 143.315 298.664 -164.954 PRESSAVG: 2171000 15.3728 10.6104 18.071 10.6104 -7.29543 67.3074 18.071 67.3074 -1.8044 GPRESSAVG: 2171000 17.0278 9.76184 17.3576 10.6683 -7.04493 69.9349 17.841 63.9264 -3.29351 TIMING: 2171000 CPU: 6783.96, 0.00315481/step Wall: 6783.96, 0.00315482/step, 2.47916 hours remaining, 233.539062 MB of memory in use. ENERGY: 2171000 4032.3931 20551.2727 14456.1409 255.8093 -202933.2087 2538.3232 0.0000 0.0000 52393.3745 -108705.8951 301.1054 -161099.2696 -108346.6774 300.3884 -66.7905 -38.3946 762965.7460 2.0910 2.2298 PRESSURE: 2171200 -124.514 146.359 67.3905 146.359 -94.1067 158.411 67.3902 158.411 14.8002 GPRESSURE: 2171200 -131.885 205.183 144.163 225.497 -20.7403 246.807 104.875 105.191 16.9955 PRESSAVG: 2171200 44.3673 33.217 2.1011 33.217 -15.8882 5.21162 2.10111 5.21162 -21.6122 GPRESSAVG: 2171200 44.4728 32.2363 2.39046 33.9748 -17.0425 4.91855 3.16074 5.38171 -20.4343 TIMING: 2171200 CPU: 6784.6, 0.00317477/step Wall: 6784.6, 0.00317477/step, 2.49467 hours remaining, 233.539062 MB of memory in use. ENERGY: 2171200 3985.8351 20548.0328 14504.3577 233.2443 -203090.4583 2790.7474 0.0000 0.0000 52399.6691 -108628.5719 301.1416 -161028.2410 -108253.5724 300.3149 -67.9401 -45.2099 762068.2002 2.2889 2.3320 PRESSURE: 2171400 92.3177 31.2331 47.8064 31.2328 269.084 107.955 47.806 107.955 126.632 GPRESSURE: 2171400 144.068 -31.4496 50.1057 22.9744 274.339 121.934 -7.83869 77.6644 161.298 PRESSAVG: 2171400 60.3057 -17.3121 -0.226033 -17.3121 -80.1054 -16.2007 -0.226042 -16.2008 1.62832 GPRESSAVG: 2171400 59.676 -17.0243 -0.728385 -18.4615 -78.8564 -16.0162 -0.913198 -17.4961 1.37275 TIMING: 2171400 CPU: 6785.23, 0.00315459/step Wall: 6785.23, 0.00315459/step, 2.47863 hours remaining, 233.539062 MB of memory in use. ENERGY: 2171400 4055.0711 20500.7268 14488.4211 249.3212 -203034.3041 2905.2302 0.0000 0.0000 52292.5344 -108542.9994 300.5259 -160835.5338 -108184.2461 300.2258 162.6779 193.2352 762378.3365 -6.0571 -5.9359 PRESSURE: 2171600 94.9562 -208.695 305.139 -208.695 172.055 -140.342 305.139 -140.342 -22.5039 GPRESSURE: 2171600 165.2 -96.0575 279.543 -51.2619 159.819 -209.067 187.532 -197.93 28.1813 PRESSAVG: 2171600 15.5462 26.754 51.0551 26.754 -24.6514 -33.1647 51.055 -33.1646 -4.0573 GPRESSAVG: 2171600 16.8962 28.7564 50.8202 27.9039 -25.0886 -34.3606 51.9838 -32.1584 -4.85606 TIMING: 2171600 CPU: 6785.86, 0.00317528/step Wall: 6785.86, 0.00317528/step, 2.49471 hours remaining, 233.539062 MB of memory in use. ENERGY: 2171600 3978.6734 20379.9067 14404.8461 243.8260 -202874.7884 2949.2799 0.0000 0.0000 52131.2384 -108787.0179 299.5989 -160918.2564 -108423.4008 300.0683 81.5023 117.7333 762624.8125 -4.3875 -4.3495 PRESSURE: 2171800 350.843 -42.1353 -258.713 -42.1355 76.9397 -36.2179 -258.714 -36.2179 48.357 GPRESSURE: 2171800 317.594 32.7938 -232.378 -84.8557 129.915 -83.5792 -264.705 -107.518 92.5941 PRESSAVG: 2171800 46.7974 10.8468 45.7024 10.8468 52.5372 -30.5392 45.7024 -30.5391 -1.76543 GPRESSAVG: 2171800 46.0184 8.81471 46.6622 10.4098 52.8527 -29.0577 43.8561 -30.3465 -1.42699 TIMING: 2171800 CPU: 6786.5, 0.00316212/step Wall: 6786.5, 0.00316212/step, 2.4842 hours remaining, 233.539062 MB of memory in use. ENERGY: 2171800 3982.4447 20642.9032 14431.5410 225.1765 -203435.6641 3004.6592 0.0000 0.0000 52248.8846 -108900.0549 300.2751 -161148.9395 -108541.4804 299.6592 158.7131 180.0343 762120.9730 32.5231 32.4814 PRESSURE: 2172000 -52.2031 -37.3947 -185.83 -37.3953 -431.679 -50.0237 -185.829 -50.0237 -71.7761 GPRESSURE: 2172000 -67.3632 -40.4002 -139.765 -110.566 -342.716 -36.6664 -145.193 3.32432 -87.1104 PRESSAVG: 2172000 -34.1393 38.1147 5.79937 38.1147 4.5197 -33.9193 5.79933 -33.9193 5.74937 GPRESSAVG: 2172000 -35.0709 37.3663 6.5456 39.6172 5.2325 -35.247 7.31424 -35.0988 6.07004 TIMING: 2172000 CPU: 6787.13, 0.00317497/step Wall: 6787.13, 0.00317497/step, 2.49412 hours remaining, 233.796875 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: 2172000 3928.0000 20659.3426 14483.4491 258.7192 -203185.3227 2768.4734 0.0000 0.0000 52210.1340 -108877.2044 300.0524 -161087.3384 -108516.2686 299.9327 -185.2195 -165.7298 762048.9158 -7.9567 -7.9228 PRESSURE: 2172200 177.752 204.346 203.421 204.346 -38.3964 -206.289 203.421 -206.289 80.8734 GPRESSURE: 2172200 151.058 203.262 88.5181 244.563 12.6101 -228.239 167.1 -34.1453 153.055 PRESSAVG: 2172200 -7.77408 -50.9985 72.7554 -50.9985 16.1184 -44.8002 72.7553 -44.8002 14.6458 GPRESSAVG: 2172200 -8.24539 -50.5221 71.1394 -52.8988 16.7986 -43.6808 75.6005 -44.3408 14.7429 TIMING: 2172200 CPU: 6787.76, 0.00314332/step Wall: 6787.76, 0.00314332/step, 2.46908 hours remaining, 233.796875 MB of memory in use. ENERGY: 2172200 4067.4222 20624.2063 14555.1956 260.4133 -203245.9722 2832.8231 0.0000 0.0000 52076.7816 -108829.1300 299.2860 -160905.9116 -108474.6826 300.0892 73.4098 105.5744 760082.9138 7.6634 7.7653 LDB: ============= START OF LOAD BALANCING ============== 6800.24 LDB: ============== END OF LOAD BALANCING =============== 6800.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6800.25 LDB: ============= START OF LOAD BALANCING ============== 6800.56 LDB: Largest compute 7058 load 0.031353 is 16.1% of average load 0.195057 LDB: Average compute 0.004395 is 2.3% of average load 0.195057 LDB: TIME 6800.57 LOAD: AVG 0.195057 MAX 0.214199 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.82 MB LDB: TIME 6800.57 LOAD: AVG 0.195057 MAX 0.214199 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.023 MB LDB: TIME 6800.57 LOAD: AVG 0.195057 MAX 0.214199 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.023 MB LDB: ============== END OF LOAD BALANCING =============== 6800.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6800.57 PRESSURE: 2172400 -264.903 -88.4184 54.9647 -88.4184 -113.019 -86.6338 54.9643 -86.6347 -399.133 GPRESSURE: 2172400 -174.457 -93.5909 92.4351 2.34527 -55.812 -23.2584 83.0126 -39.2381 -464.635 PRESSAVG: 2172400 21.7654 -39.6236 5.3917 -39.6236 -22.2943 2.87218 5.39159 2.87212 4.59669 GPRESSAVG: 2172400 22.6295 -41.5349 5.8794 -39.9067 -23.8076 2.2204 4.25345 4.12813 4.94335 TIMING: 2172400 CPU: 6788.41, 0.00323834/step Wall: 6788.41, 0.00323834/step, 2.54354 hours remaining, 234.050781 MB of memory in use. ENERGY: 2172400 4049.5930 20319.0213 14462.5284 274.2470 -203083.5173 2745.6952 0.0000 0.0000 52510.6460 -108721.7865 301.7794 -161232.4325 -108352.0179 300.1573 -259.0184 -231.6346 763673.1452 1.3559 1.2551 PRESSURE: 2172600 -125.369 -112.815 38.2308 -112.815 7.48624 -175.081 38.2305 -175.081 -206.815 GPRESSURE: 2172600 -66.8404 -133.088 58.3387 -88.1192 35.7298 -129.874 5.56318 -160.173 -204.161 PRESSAVG: 2172600 11.5749 4.28518 28.1569 4.2851 15.7374 -9.27307 28.157 -9.27317 -20.9429 GPRESSAVG: 2172600 10.8086 4.5926 29.3729 5.72617 16.0949 -10.5018 26.1289 -8.61633 -20.6901 TIMING: 2172600 CPU: 6789.04, 0.00315191/step Wall: 6789.04, 0.00315191/step, 2.47548 hours remaining, 234.050781 MB of memory in use. ENERGY: 2172600 3970.2361 20765.3716 14460.7645 224.3892 -202905.9677 2573.4481 0.0000 0.0000 52102.6049 -108809.1533 299.4344 -160911.7582 -108452.0855 300.0621 -108.2327 -78.4237 764235.8578 2.1231 2.0711 PRESSURE: 2172800 -230.632 -106.405 -96.1074 -106.405 -31.5115 -80.8309 -96.1075 -80.8313 -270.063 GPRESSURE: 2172800 -124.838 -27.4182 -82.5906 -149.95 -36.7618 -113.919 -19.6259 -23.6592 -285.305 PRESSAVG: 2172800 -23.7925 9.50577 3.89508 9.50575 -13.1322 -16.7325 3.89508 -16.7325 -4.00685 GPRESSAVG: 2172800 -22.8023 10.8317 0.496832 10.547 -12.9059 -17.5693 4.56536 -16.8792 -5.05793 TIMING: 2172800 CPU: 6789.67, 0.0031575/step Wall: 6789.67, 0.0031575/step, 2.47969 hours remaining, 234.050781 MB of memory in use. ENERGY: 2172800 4077.4542 20958.3732 14409.3596 228.9294 -203183.2819 2653.9914 0.0000 0.0000 52032.0783 -108823.0958 299.0291 -160855.1742 -108457.2137 300.0285 -177.4021 -148.9683 762868.4083 -13.6439 -13.5887 PRESSURE: 2173000 73.251 22.265 -44.1384 22.265 85.0952 200.973 -44.1385 200.973 213.852 GPRESSURE: 2173000 93.3448 -2.08735 -77.2537 -30.986 222.259 172.039 -76.8858 242.059 145.246 PRESSAVG: 2173000 -7.01769 -19.6046 16.364 -19.6046 3.88439 -13.5771 16.3641 -13.5771 2.23016 GPRESSAVG: 2173000 -6.99052 -18.2175 18.5564 -24.3372 4.69122 -12.2552 18.0602 -15.6593 1.29191 TIMING: 2173000 CPU: 6790.3, 0.00314262/step Wall: 6790.3, 0.00314262/step, 2.46783 hours remaining, 234.050781 MB of memory in use. ENERGY: 2173000 4086.5727 20587.6944 14506.4904 247.5897 -203423.2000 2907.1873 0.0000 0.0000 51938.0578 -109149.6076 298.4887 -161087.6654 -108793.4011 299.7654 124.0659 153.6168 762502.7201 -0.3010 -0.3358 PRESSURE: 2173200 259.682 190.983 28.2469 190.983 -158.112 272.888 28.2463 272.887 -225.089 GPRESSURE: 2173200 201.196 125.133 -78.6394 98.5886 -82.6492 355.646 69.316 231.66 -151.884 PRESSAVG: 2173200 -11.5828 -14.2767 18.5315 -14.2767 13.9828 43.7891 18.5315 43.7891 -8.31487 GPRESSAVG: 2173200 -11.8615 -16.7477 18.3342 -10.4402 12.2574 43.358 16.0697 44.2501 -6.24017 TIMING: 2173200 CPU: 6790.92, 0.00313453/step Wall: 6790.92, 0.00313453/step, 2.4613 hours remaining, 234.050781 MB of memory in use. ENERGY: 2173200 3999.1170 20486.3884 14508.1550 237.5689 -203257.9428 2825.4680 0.0000 0.0000 52294.7250 -108906.5205 300.5385 -161201.2455 -108548.7759 299.5298 -41.1731 -11.1124 762382.4715 -1.9716 -1.9481 PRESSURE: 2173400 -665.82 -60.5485 -41.0105 -60.548 -18.8638 -208.406 -41.0117 -208.407 10.8246 GPRESSURE: 2173400 -561.703 -153.113 -41.4923 -134.152 44.9536 -211.324 -55.6702 -114.24 -48.9266 PRESSAVG: 2173400 -59.5842 6.44413 3.06526 6.44412 25.6684 25.2074 3.06527 25.2074 -0.146384 GPRESSAVG: 2173400 -58.6642 7.75844 2.3644 6.28447 25.9476 26.0825 5.63953 26.6149 -1.50209 TIMING: 2173400 CPU: 6791.54, 0.00309557/step Wall: 6791.54, 0.00309556/step, 2.43053 hours remaining, 234.050781 MB of memory in use. ENERGY: 2173400 4070.0772 20563.8992 14458.5941 253.8589 -203583.6742 2908.3544 0.0000 0.0000 52285.3354 -109043.5550 300.4845 -161328.8904 -108671.9237 300.0653 -224.6199 -188.5587 761830.2258 -11.3541 -11.4062 PRESSURE: 2173600 -375.858 -114.402 -53.0152 -114.402 -369.539 67.0448 -53.0151 67.0455 42.0835 GPRESSURE: 2173600 -391.244 -188.169 11.1736 -124.197 -333.118 4.41267 -31.0918 -92.076 83.5375 PRESSAVG: 2173600 -33.5741 25.152 -27.2797 25.1519 23.5422 1.66135 -27.2797 1.66129 -6.509 GPRESSAVG: 2173600 -33.0411 22.3229 -25.2789 24.2344 22.6105 2.60394 -28.3154 0.127165 -5.97325 TIMING: 2173600 CPU: 6792.17, 0.00313068/step Wall: 6792.17, 0.00313068/step, 2.45793 hours remaining, 234.050781 MB of memory in use. ENERGY: 2173600 3980.1918 20640.2310 14413.4344 234.8026 -202625.7724 2341.1525 0.0000 0.0000 52047.7240 -108968.2362 299.1190 -161015.9603 -108605.0943 300.0116 -234.4378 -213.6080 763834.3501 -5.5136 -5.4680 PRESSURE: 2173800 35.6579 -212.873 -116.751 -212.873 -4.42614 18.3923 -116.752 18.3914 -194.23 GPRESSURE: 2173800 -60.4324 -101.021 -154.297 -244.719 20.4179 0.390511 -5.42876 59.5967 -61.3489 PRESSAVG: 2173800 -32.1824 -0.929832 -7.07692 -0.929814 47.5249 66.2303 -7.07692 66.2302 7.43578 GPRESSAVG: 2173800 -34.1024 1.53731 -8.89994 -3.78075 49.1854 63.0954 -7.74338 67.8719 7.54184 TIMING: 2173800 CPU: 6792.8, 0.00314136/step Wall: 6792.8, 0.00314136/step, 2.46615 hours remaining, 234.050781 MB of memory in use. ENERGY: 2173800 3969.1618 20672.1772 14402.1881 250.6832 -203391.9591 2997.3330 0.0000 0.0000 52065.3956 -109035.0201 299.2205 -161100.4158 -108666.0736 299.9427 -54.3327 -33.7878 761926.7611 7.5928 7.5416 PRESSURE: 2174000 74.7334 12.1684 310.847 12.1692 315.576 -56.8991 310.847 -56.8991 231.455 GPRESSURE: 2174000 146.101 17.5442 216.861 -19.4826 298.297 -57.8426 126.012 -38.1396 272.395 PRESSAVG: 2174000 -42.1482 -14.8936 -9.03307 -14.8937 54.482 5.64851 -9.03308 5.64855 10.5563 GPRESSAVG: 2174000 -41.7456 -16.4263 -8.22888 -11.4326 53.6437 7.5713 -9.41308 5.8652 11.3358 TIMING: 2174000 CPU: 6793.42, 0.00311724/step Wall: 6793.42, 0.00311724/step, 2.44703 hours remaining, 234.050781 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: 2174000 3952.9569 20567.2221 14416.5311 262.5512 -203037.2634 2758.7085 0.0000 0.0000 52087.1885 -108992.1052 299.3458 -161079.2936 -108623.6140 299.9493 207.2548 238.9309 762397.1875 7.6300 7.7446 PRESSURE: 2174200 -262.928 188.109 109.466 188.11 -63.2069 -51.2448 109.465 -51.2449 -0.653743 GPRESSURE: 2174200 -277.981 153.042 118.953 110.472 -43.6252 -16.8725 128.696 -98.052 71.2604 PRESSAVG: 2174200 15.9227 13.2737 -12.8539 13.2737 -30.4832 26.5108 -12.8539 26.5109 14.0501 GPRESSAVG: 2174200 18.0294 14.62 -12.8306 12.7264 -32.4351 27.7737 -13.9223 25.4954 13.5749 TIMING: 2174200 CPU: 6794.04, 0.0031155/step Wall: 6794.04, 0.0031155/step, 2.4455 hours remaining, 234.050781 MB of memory in use. ENERGY: 2174200 3938.5708 20601.9294 14386.5636 237.5369 -202552.1925 2411.1448 0.0000 0.0000 52172.3656 -108804.0814 299.8353 -160976.4470 -108438.0912 300.3702 -108.9297 -83.4487 764089.7791 -0.1702 -0.2769 PRESSURE: 2174400 -269.008 -115.552 185.078 -115.552 286.222 -210.891 185.078 -210.891 -167.356 GPRESSURE: 2174400 -136.538 -318.986 178.988 -35.8676 223.75 -186.505 149.692 -88.9698 -164.906 PRESSAVG: 2174400 -59.2291 -14.7407 -41.9777 -14.7407 98.0208 -12.4353 -41.9777 -12.4353 -11.2552 GPRESSAVG: 2174400 -59.8009 -17.1159 -42.2836 -14.2854 97.5684 -13.2319 -42.6684 -11.1631 -11.0277 TIMING: 2174400 CPU: 6794.67, 0.00311653/step Wall: 6794.67, 0.00311653/step, 2.44613 hours remaining, 234.050781 MB of memory in use. ENERGY: 2174400 3934.1092 20609.0866 14438.4798 253.3362 -202857.9540 2507.6621 0.0000 0.0000 52422.6846 -108692.5957 301.2739 -161115.2802 -108328.4302 300.1215 -50.0473 -25.8980 762427.8162 9.1789 8.9133 PRESSURE: 2174600 121.878 324.301 40.0705 324.3 280.509 77.1099 40.0704 77.1103 -100.062 GPRESSURE: 2174600 111.879 253.507 72.819 242.299 382.714 1.0892 -1.49598 20.2173 -98.0724 PRESSAVG: 2174600 -7.02094 -18.1553 1.21871 -18.1553 62.0409 29.9144 1.21876 29.9144 -11.2139 GPRESSAVG: 2174600 -8.71441 -16.6158 2.15721 -18.7429 63.5363 29.3369 1.21249 29.9925 -11.1853 TIMING: 2174600 CPU: 6795.29, 0.00313013/step Wall: 6795.29, 0.00313013/step, 2.45663 hours remaining, 234.050781 MB of memory in use. ENERGY: 2174600 3957.1760 20637.1964 14422.8287 239.1370 -203011.3296 2573.1661 0.0000 0.0000 52259.1069 -108922.7186 300.3338 -161181.8255 -108564.5607 299.6230 100.7747 132.1734 762641.9197 14.6020 14.5455 PRESSURE: 2174800 81.2693 54.3589 -9.40802 54.3598 183.905 -56.7216 -9.40811 -56.7214 59.3271 GPRESSURE: 2174800 186.011 75.8785 -27.1691 78.5002 222.271 -148.935 -32.4406 46.6277 24.6115 PRESSAVG: 2174800 -32.552 34.2776 -18.9535 34.2776 46.4574 -18.2273 -18.9535 -18.2273 -12.5208 GPRESSAVG: 2174800 -31.6536 33.3076 -20.5236 36.1388 46.7305 -19.3926 -17.2823 -18.0361 -13.2249 TIMING: 2174800 CPU: 6795.92, 0.0031366/step Wall: 6795.92, 0.0031366/step, 2.46154 hours remaining, 234.050781 MB of memory in use. ENERGY: 2174800 4014.8809 20537.8318 14482.5895 249.0958 -203515.1899 3123.7303 0.0000 0.0000 52598.7011 -108508.3606 302.2855 -161107.0617 -108150.2363 299.9402 108.1670 144.2978 762688.3678 0.4616 0.6173 PRESSURE: 2175000 -279.327 7.0165 -97.8545 7.01628 -0.968409 -76.8383 -97.8538 -76.8385 -500.761 GPRESSURE: 2175000 -126.356 -8.28228 -87.0621 -55.5271 -123.467 -167.655 -166.751 89.4226 -420.611 PRESSAVG: 2175000 -27.3327 33.9573 -30.6915 33.9573 49.1332 8.61771 -30.6916 8.61773 -33.0813 GPRESSAVG: 2175000 -25.5305 35.8322 -29.4002 30.9615 47.3503 7.92525 -30.9034 8.48097 -33.5632 TIMING: 2175000 CPU: 6796.54, 0.00311437/step Wall: 6796.54, 0.00311437/step, 2.44391 hours remaining, 234.050781 MB of memory in use. ENERGY: 2175000 3984.6289 20342.0308 14460.2562 256.9170 -202096.2743 2223.4916 0.0000 0.0000 52227.8345 -108601.1152 300.1541 -160828.9498 -108217.7718 300.4877 -260.3523 -223.4780 764184.2826 -3.7603 -3.9145 PRESSURE: 2175200 168.951 74.7505 -32.3945 74.7498 194.599 15.6132 -32.3941 15.6134 114.903 GPRESSURE: 2175200 237.933 129.385 54.2111 -51.9095 143.403 24.2154 -26.3359 -67.422 173.046 PRESSAVG: 2175200 -31.4812 -3.0087 -24.1986 -3.00877 39.9267 24.0893 -24.1986 24.0893 -18.9962 GPRESSAVG: 2175200 -32.2823 -2.44692 -24.0409 -3.4062 39.6422 24.8386 -23.9867 23.1411 -17.8332 TIMING: 2175200 CPU: 6797.17, 0.00312393/step Wall: 6797.17, 0.00312392/step, 2.45124 hours remaining, 234.050781 MB of memory in use. ENERGY: 2175200 4004.9102 20588.9956 14493.9299 253.2342 -202608.8915 2490.5957 0.0000 0.0000 52244.7211 -108532.5048 300.2511 -160777.2260 -108167.1474 300.5710 159.4844 184.7938 763558.5591 -3.5169 -3.4911 PRESSURE: 2175400 -153.278 131.214 -104.48 131.213 -98.11 273.311 -104.482 273.311 -108.877 GPRESSURE: 2175400 -152.395 184.757 -25.3698 120.161 -7.63252 256.834 -98.3324 188.305 -126.229 PRESSAVG: 2175400 -74.2752 8.62501 -58.4638 8.62496 83.958 45.3763 -58.4637 45.3763 -4.24629 GPRESSAVG: 2175400 -74.9768 7.75932 -61.2692 11.0281 84.775 45.7695 -57.1722 42.1277 -4.78327 TIMING: 2175400 CPU: 6797.8, 0.00314004/step Wall: 6797.8, 0.00314004/step, 2.46371 hours remaining, 234.050781 MB of memory in use. ENERGY: 2175400 4039.6946 20621.9235 14495.6460 260.2225 -203007.0739 2886.9411 0.0000 0.0000 51951.8586 -108750.7875 298.5680 -160702.6462 -108382.5273 300.0853 -120.0886 -95.4188 764024.0669 1.8122 1.6716 PRESSURE: 2175600 14.8551 -101.92 -218.775 -101.92 112.861 75.7358 -218.776 75.7358 -241.772 GPRESSURE: 2175600 -2.44319 -50.9613 -185.071 -54.745 138.314 89.8973 -48.0585 25.0763 -147.441 PRESSAVG: 2175600 -81.6656 42.7318 -16.9037 42.7318 70.3399 -8.32466 -16.9037 -8.32469 18.131 GPRESSAVG: 2175600 -81.8827 42.1703 -15.6291 41.0498 69.4881 -8.92019 -15.0948 -7.2454 18.8324 TIMING: 2175600 CPU: 6798.43, 0.00314815/step Wall: 6798.43, 0.00314815/step, 2.4699 hours remaining, 234.050781 MB of memory in use. ENERGY: 2175600 4038.7835 20632.7078 14451.9995 235.4310 -202926.1123 2532.2707 0.0000 0.0000 52376.3754 -108658.5442 301.0077 -161034.9197 -108295.4170 300.2559 -38.0185 -3.8567 763697.8700 2.2684 2.1459 PRESSURE: 2175800 -58.6621 -155.961 -72.178 -155.961 92.7238 -67.2947 -72.1781 -67.2956 377.149 GPRESSURE: 2175800 -47.531 -163.699 -104.933 -135.793 199.477 -52.1429 -57.505 -151.725 346.224 PRESSAVG: 2175800 -28.8015 28.2598 -8.37296 28.2599 5.18947 4.48933 -8.37297 4.48933 9.27011 GPRESSAVG: 2175800 -27.6084 29.9084 -7.46714 29.4346 6.01284 3.83657 -11.6096 5.07659 7.94374 TIMING: 2175800 CPU: 6799.05, 0.00313414/step Wall: 6799.05, 0.00313414/step, 2.45874 hours remaining, 234.050781 MB of memory in use. ENERGY: 2175800 4036.7562 20605.1441 14439.7784 248.6123 -203110.4862 2951.6641 0.0000 0.0000 52476.5412 -108351.9899 301.5834 -160828.5311 -107981.8212 300.9048 137.0703 166.0565 763484.3547 -4.7807 -4.5506 PRESSURE: 2176000 -142.165 -233.778 98.9787 -233.778 -28.9826 -18.9233 98.9803 -18.9238 -410.033 GPRESSURE: 2176000 -64.2604 -178.887 85.2866 -178.134 -17.3222 -4.81833 7.11683 52.8991 -410.522 PRESSAVG: 2176000 -5.99823 36.2705 14.3191 36.2706 6.58738 25.4683 14.3191 25.4683 16.2616 GPRESSAVG: 2176000 -7.00539 36.0525 15.0825 35.8687 6.70652 24.4743 16.4835 26.3714 17.1345 TIMING: 2176000 CPU: 6799.69, 0.00316782/step Wall: 6799.69, 0.00316782/step, 2.48498 hours remaining, 234.050781 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: 2176000 4123.7233 20668.4589 14498.2077 240.4476 -203176.4925 2778.5906 0.0000 0.0000 52369.6798 -108497.3846 300.9693 -160867.0644 -108143.1809 300.8287 -193.7269 -164.0349 764236.3751 5.6169 5.6119 PRESSURE: 2176200 -217.438 -147.291 -47.1351 -147.291 40.5133 -143.81 -47.1346 -143.81 -134.845 GPRESSURE: 2176200 -146.565 -158.424 -98.4235 -22.5773 15.7634 -47.5778 -4.52451 -124.626 -102.553 PRESSAVG: 2176200 -36.5245 8.92031 29.3412 8.92032 -1.66208 -45.1766 29.3412 -45.1765 -10.8459 GPRESSAVG: 2176200 -37.6506 9.13526 29.9819 10.5336 -1.0336 -42.7491 28.3241 -45.1203 -10.1266 TIMING: 2176200 CPU: 6800.31, 0.00313293/step Wall: 6800.31, 0.00313293/step, 2.45743 hours remaining, 234.050781 MB of memory in use. ENERGY: 2176200 4006.0090 20676.9124 14449.6699 229.1275 -203238.7285 2666.5833 0.0000 0.0000 52476.1350 -108734.2913 301.5811 -161210.4263 -108361.7432 300.8462 -103.9232 -77.7849 762578.3141 -16.3442 -16.2703 LDB: ============= START OF LOAD BALANCING ============== 6812.79 LDB: ============== END OF LOAD BALANCING =============== 6812.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6812.79 LDB: ============= START OF LOAD BALANCING ============== 6813.11 LDB: Largest compute 6985 load 0.031302 is 16.0% of average load 0.195062 LDB: Average compute 0.004424 is 2.3% of average load 0.195062 LDB: TIME 6813.11 LOAD: AVG 0.195062 MAX 0.219023 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.051 MB LDB: TIME 6813.11 LOAD: AVG 0.195062 MAX 0.219023 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: TIME 6813.11 LOAD: AVG 0.195062 MAX 0.215991 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: ============== END OF LOAD BALANCING =============== 6813.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6813.12 PRESSURE: 2176400 -11.2357 -116.517 221.094 -116.517 -344.028 -179.715 221.094 -179.715 -254.603 GPRESSURE: 2176400 -38.3839 -19.4361 136.329 -156.59 -255.678 -226.172 189.509 -140.318 -233.774 PRESSAVG: 2176400 -27.9081 -26.0509 53.5563 -26.0509 7.9509 -12.5504 53.5564 -12.5504 15.7564 GPRESSAVG: 2176400 -27.457 -27.1127 51.1509 -25.1594 7.83158 -14.5075 53.4647 -12.6133 15.3507 TIMING: 2176400 CPU: 6800.95, 0.00319651/step Wall: 6800.95, 0.00319651/step, 2.50713 hours remaining, 234.820312 MB of memory in use. ENERGY: 2176400 3977.7281 20521.6382 14410.0271 243.2746 -203337.1374 3022.7058 0.0000 0.0000 52318.9759 -108842.7875 300.6779 -161161.7635 -108481.5352 300.3903 -203.2888 -175.9454 764076.2505 -1.4003 -1.4249 PRESSURE: 2176600 116.841 71.8553 -33.3431 71.8563 265.324 42.9138 -33.3427 42.9142 457.89 GPRESSURE: 2176600 170.579 35.3552 -13.4336 18.484 279.246 -45.6365 -100.732 54.3659 476.636 PRESSAVG: 2176600 -11.4109 27.115 14.1585 27.1151 24.8029 -36.5758 14.1584 -36.5757 -28.5026 GPRESSAVG: 2176600 -11.4368 27.6811 15.6958 24.4742 23.6172 -36.3876 13.1892 -37.782 -27.8853 TIMING: 2176600 CPU: 6801.58, 0.00313739/step Wall: 6801.58, 0.00313739/step, 2.46059 hours remaining, 235.023438 MB of memory in use. ENERGY: 2176600 3984.4382 20412.4877 14480.8697 254.2282 -203641.2782 3310.3650 0.0000 0.0000 52021.0960 -109177.7935 298.9660 -161198.8895 -108817.9036 299.8146 280.0183 308.8203 763398.8938 -5.0369 -5.2349 PRESSURE: 2176800 -331.247 -92.1432 97.921 -92.1429 -260.059 -204.188 97.9207 -204.189 -240.779 GPRESSURE: 2176800 -342.333 -111.526 93.8755 -69.4027 -99.7616 -205.261 107.818 -216.085 -291.105 PRESSAVG: 2176800 -54.076 -9.2645 54.6824 -9.26453 27.8579 -13.7093 54.6824 -13.7094 40.0162 GPRESSAVG: 2176800 -54.3268 -9.85507 54.3731 -6.70451 28.3083 -13.4231 54.4614 -11.0034 39.4572 TIMING: 2176800 CPU: 6802.21, 0.0031358/step Wall: 6802.21, 0.0031358/step, 2.45916 hours remaining, 235.023438 MB of memory in use. ENERGY: 2176800 3966.9239 20536.9226 14423.2904 249.0730 -202774.5172 2630.0788 0.0000 0.0000 52059.9369 -108908.2916 299.1892 -160968.2285 -108551.1267 299.3330 -277.3614 -244.3998 764429.5294 4.5994 4.4795 PRESSURE: 2177000 -169.821 4.15423 59.5258 4.15441 -76.1251 271.021 59.5257 271.021 -188.006 GPRESSURE: 2177000 -32.8278 -31.6778 72.7754 3.83058 -52.0249 195.267 5.2605 257.873 -240.623 PRESSAVG: 2177000 4.78865 6.05689 25.6221 6.05692 -2.54845 -34.7806 25.6222 -34.7807 -28.7588 GPRESSAVG: 2177000 4.96795 5.95627 25.9332 5.33214 -2.60631 -34.2997 27.5196 -38.3845 -29.5983 TIMING: 2177000 CPU: 6802.83, 0.003116/step Wall: 6802.83, 0.003116/step, 2.44346 hours remaining, 235.023438 MB of memory in use. ENERGY: 2177000 4004.4915 20386.2854 14523.3235 246.5954 -202937.0539 2545.2314 0.0000 0.0000 52305.9322 -108925.1944 300.6029 -161231.1266 -108556.3619 299.4877 -144.6508 -108.4919 762660.1970 -8.8395 -9.0789 PRESSURE: 2177200 9.2317 -96.1594 -77.8774 -96.1588 -306.592 -91.2365 -77.8777 -91.237 7.20702 GPRESSURE: 2177200 -34.5226 -115.287 -20.9617 -110.821 -266.401 -42.5172 -35.8302 -53.3456 102.809 PRESSAVG: 2177200 -30.1015 8.91673 13.8287 8.9167 -7.58852 -68.1237 13.8287 -68.1237 18.393 GPRESSAVG: 2177200 -30.064 8.24033 14.4126 9.2658 -8.36977 -68.0724 13.6415 -66.9958 18.766 TIMING: 2177200 CPU: 6803.45, 0.0031152/step Wall: 6803.45, 0.0031152/step, 2.44266 hours remaining, 235.023438 MB of memory in use. ENERGY: 2177200 4075.3252 20548.7547 14495.1685 247.0323 -203138.1264 2675.3900 0.0000 0.0000 52124.7372 -108971.7185 299.5616 -161096.4557 -108611.7493 299.5559 -96.7177 -66.0383 762488.0383 -6.4323 -6.5559 PRESSURE: 2177400 -60.3438 78.4804 -132.174 78.4803 38.0162 -149.88 -132.174 -149.881 -7.56015 GPRESSURE: 2177400 -25.2057 35.4098 -33.2217 -37.1936 97.6134 -213.31 -97.9259 -87.5629 -22.6779 PRESSAVG: 2177400 5.16724 4.04132 -43.0298 4.04125 -8.85857 -11.5602 -43.0297 -11.5602 4.87044 GPRESSAVG: 2177400 4.77876 3.99455 -42.0398 3.05941 -8.989 -12.8673 -43.8424 -10.8381 5.75354 TIMING: 2177400 CPU: 6804.09, 0.00316824/step Wall: 6804.09, 0.00316824/step, 2.48408 hours remaining, 235.023438 MB of memory in use. ENERGY: 2177400 3931.3240 20458.1679 14464.4927 268.6632 -203402.2389 2929.4571 0.0000 0.0000 52168.5776 -109181.5566 299.8135 -161350.1342 -108819.9038 299.8243 -9.9626 16.5766 763470.6842 0.3930 0.5144 PRESSURE: 2177600 -159.262 231.449 39.7788 231.448 -32.91 -204.256 39.7782 -204.255 -17.1613 GPRESSURE: 2177600 -84.0442 225.004 59.2359 200.011 -21.5156 -129.651 -43.8355 -203.669 -14.5748 PRESSAVG: 2177600 2.9701 55.1829 -31.8566 55.1829 8.2864 -37.3789 -31.8566 -37.3789 -5.90345 GPRESSAVG: 2177600 3.66043 56.3477 -33.8805 54.0749 7.86031 -35.9518 -30.5424 -37.9693 -6.48378 TIMING: 2177600 CPU: 6804.72, 0.00316173/step Wall: 6804.72, 0.00316173/step, 2.4788 hours remaining, 235.023438 MB of memory in use. ENERGY: 2177600 3975.1360 20730.5737 14476.7814 238.0868 -202820.9059 2674.1722 0.0000 0.0000 51736.8406 -108989.3150 297.3323 -160726.1556 -108637.7765 299.6025 -69.7777 -40.0449 763435.0735 1.7844 1.6790 PRESSURE: 2177800 -206.122 153.5 13.041 153.5 247.349 1.69994 13.0405 1.69962 -99.6906 GPRESSURE: 2177800 -131.568 79.2765 6.38973 81.9008 244.986 14.392 -30.9593 63.6874 -84.4036 PRESSAVG: 2177800 -37.4673 17.8921 -19.56 17.8921 55.9125 -46.2728 -19.56 -46.2729 13.9086 GPRESSAVG: 2177800 -37.8726 18.1277 -20.3161 20.8009 57.0495 -47.0974 -21.2388 -46.7555 13.2198 TIMING: 2177800 CPU: 6805.35, 0.00313551/step Wall: 6805.35, 0.00313551/step, 2.45807 hours remaining, 235.023438 MB of memory in use. ENERGY: 2177800 3984.5312 20511.1856 14451.2466 251.9788 -202620.6946 2421.1301 0.0000 0.0000 52018.3126 -108982.3097 298.9500 -161000.6223 -108626.8019 299.4731 -19.4877 9.6716 763393.9981 10.7846 10.7989 PRESSURE: 2178000 166.331 76.2595 -96.0865 76.2602 98.9855 -382.539 -96.0873 -382.539 230.443 GPRESSURE: 2178000 219.883 162.044 -43.083 -11.9801 35.0155 -396.048 -119.523 -353.826 316.867 PRESSAVG: 2178000 -26.6324 7.15389 12.608 7.15383 43.2157 -38.8523 12.6079 -38.8523 -6.41981 GPRESSAVG: 2178000 -27.1384 5.62977 13.4348 6.2969 42.7039 -38.2595 13.3376 -38.2976 -5.61412 TIMING: 2178000 CPU: 6805.97, 0.00312569/step Wall: 6805.97, 0.00312569/step, 2.45019 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2178000 3977.8084 20566.5030 14563.6568 239.3761 -203071.9486 2519.9935 0.0000 0.0000 52132.6770 -109071.9338 299.6072 -161204.6108 -108705.8080 299.3225 165.2532 190.5884 761142.2694 3.3878 3.3171 PRESSURE: 2178200 272.436 94.4062 49.0536 94.4064 77.762 10.1729 49.0536 10.1728 -51.2388 GPRESSURE: 2178200 371.469 132.997 44.8632 27.0183 65.7001 32.6709 80.6413 -2.73101 -51.5039 PRESSAVG: 2178200 -21.5736 22.2595 -0.48569 22.2596 25.4637 -31.9326 -0.48566 -31.9326 -21.5955 GPRESSAVG: 2178200 -20.8269 22.2043 0.107185 22.4004 25.2654 -31.694 -0.983538 -32.5582 -23.0557 TIMING: 2178200 CPU: 6806.6, 0.00312204/step Wall: 6806.6, 0.00312204/step, 2.44716 hours remaining, 235.023438 MB of memory in use. ENERGY: 2178200 4017.2592 20516.2099 14426.8669 243.3480 -203046.5953 2851.4556 0.0000 0.0000 51889.2659 -109102.1898 298.2083 -160991.4557 -108737.6761 298.9507 99.6531 128.5551 764586.9450 -5.9018 -6.2057 PRESSURE: 2178400 -34.9896 190.395 74.5321 190.394 -5.95899 35.1227 74.5319 35.1225 -239.055 GPRESSURE: 2178400 -63.2816 100.586 107.7 157.937 79.0022 22.7655 29.7532 -25.0106 -220.756 PRESSAVG: 2178400 10.6359 -9.18116 -26.0085 -9.18115 -7.45073 -42.5177 -26.0085 -42.5176 -12.3722 GPRESSAVG: 2178400 10.1661 -9.18013 -26.8477 -10.7949 -6.91726 -43.1777 -25.2392 -41.6792 -12.3463 TIMING: 2178400 CPU: 6807.22, 0.00311805/step Wall: 6807.22, 0.00311805/step, 2.44386 hours remaining, 235.023438 MB of memory in use. ENERGY: 2178400 3913.4166 20480.2494 14432.9340 255.4087 -203249.3760 2767.2844 0.0000 0.0000 52172.7570 -109227.3259 299.8376 -161400.0829 -108850.3536 299.1806 -93.3345 -68.3452 763800.5738 -3.0624 -3.0325 PRESSURE: 2178600 -346.922 10.9418 -152.337 10.9416 245.145 -49.6048 -152.338 -49.6046 135.154 GPRESSURE: 2178600 -258.319 35.9695 -167.842 -41.1848 184.823 -4.69123 -89.3194 -68.9808 191.281 PRESSAVG: 2178600 -25.3284 -14.67 -16.1715 -14.67 20.1731 -16.7516 -16.1716 -16.7517 10.0314 GPRESSAVG: 2178600 -24.6584 -12.1546 -16.4669 -12.9868 18.6249 -17.0759 -16.5147 -18.0671 10.5035 TIMING: 2178600 CPU: 6807.84, 0.00310667/step Wall: 6807.84, 0.00310667/step, 2.43477 hours remaining, 235.023438 MB of memory in use. ENERGY: 2178600 3925.2728 20580.0207 14373.2166 264.8216 -203446.1769 3061.2597 0.0000 0.0000 52173.3658 -109068.2197 299.8411 -161241.5854 -108699.9474 298.9783 11.1258 39.2614 763469.8885 1.6254 1.4900 PRESSURE: 2178800 144.671 -27.6003 -6.04879 -27.5997 273.117 119.706 -6.04855 119.706 338.91 GPRESSURE: 2178800 193.9 29.882 16.741 -11.0499 303.625 138.515 68.7743 137.809 353.273 PRESSAVG: 2178800 -3.94248 -31.7498 -7.32241 -31.7498 7.72679 -51.0972 -7.32239 -51.0971 -15.8027 GPRESSAVG: 2178800 -3.53688 -34.9159 -5.72431 -31.9173 6.96068 -51.1042 -7.30385 -50.0392 -15.4101 TIMING: 2178800 CPU: 6808.47, 0.0031259/step Wall: 6808.47, 0.0031259/step, 2.44966 hours remaining, 235.023438 MB of memory in use. ENERGY: 2178800 3982.8524 20340.8135 14521.1148 242.4686 -203061.2968 2882.7337 0.0000 0.0000 52006.0846 -109085.2293 298.8797 -161091.3138 -108710.4613 299.2008 252.2327 283.5993 763791.7872 -4.0061 -3.9954 PRESSURE: 2179000 -194.431 127.938 -60.7729 127.939 -25.1425 128.188 -60.7724 128.188 -390.732 GPRESSURE: 2179000 -159.896 87.492 21.6567 98.9607 24.1811 164.831 -90.2785 278.322 -408.558 PRESSAVG: 2179000 19.5525 -5.23476 -29.0094 -5.23473 57.5509 44.9927 -29.0095 44.9926 26.5401 GPRESSAVG: 2179000 18.1887 -6.33957 -30.3058 -5.89331 59.4781 45.7481 -29.2602 45.9317 25.8095 TIMING: 2179000 CPU: 6809.09, 0.00313665/step Wall: 6809.09, 0.00313665/step, 2.45791 hours remaining, 235.023438 MB of memory in use. ENERGY: 2179000 3945.0800 20385.5819 14464.5396 261.5394 -203107.2269 2567.6962 0.0000 0.0000 52051.4334 -109431.3565 299.1403 -161482.7898 -109064.6404 298.9117 -203.4350 -181.4243 763826.9867 34.5479 34.4921 PRESSURE: 2179200 3.33716 164.047 -19.13 164.047 96.8935 -31.7355 -19.1299 -31.7348 93.4262 GPRESSURE: 2179200 110.94 53.8226 -7.08921 93.5899 81.4477 -87.349 -42.6728 70.2734 77.2824 PRESSAVG: 2179200 1.45241 -3.62595 -0.73128 -3.62596 -19.8541 65.7772 -0.731269 65.7772 -0.80678 GPRESSAVG: 2179200 2.14419 -2.22229 -0.597475 -3.3952 -19.9554 64.6222 -0.254872 66.4138 -1.3634 TIMING: 2179200 CPU: 6809.72, 0.0031189/step Wall: 6809.72, 0.0031189/step, 2.44383 hours remaining, 235.148438 MB of memory in use. ENERGY: 2179200 4000.1195 20404.1336 14462.1677 248.5862 -203507.9573 3019.7633 0.0000 0.0000 52051.7862 -109321.4007 299.1423 -161373.1869 -108961.5696 298.5806 64.5523 89.8899 763595.1540 -6.4028 -6.3915 PRESSURE: 2179400 -193.926 18.1307 -139.641 18.1302 56.1455 7.47458 -139.643 7.4742 -229.645 GPRESSURE: 2179400 -132.927 95.8149 -141.293 -46.1465 14.2359 -36.3099 -139.988 8.62607 -153.798 PRESSAVG: 2179400 36.7657 -2.56917 -38.1314 -2.56921 -1.81851 20.8463 -38.1314 20.8464 -9.11629 GPRESSAVG: 2179400 37.3304 -2.61514 -36.1255 -3.83731 -2.82123 24.0526 -38.9187 18.5153 -8.34661 TIMING: 2179400 CPU: 6810.34, 0.00310307/step Wall: 6810.34, 0.00310307/step, 2.43126 hours remaining, 235.148438 MB of memory in use. ENERGY: 2179400 4028.2826 20507.5960 14471.8337 244.4885 -203000.7247 2370.7929 0.0000 0.0000 52057.8767 -109319.8543 299.1773 -161377.7310 -108951.5992 299.4218 -122.4751 -90.8297 763300.0652 8.6103 8.7208 PRESSURE: 2179600 95.6006 86.2978 -167.311 86.2982 41.3095 115.139 -167.311 115.14 -156.384 GPRESSURE: 2179600 111.168 91.0302 -247.949 -6.27007 102.048 5.35941 -132.95 223.841 -139.348 PRESSAVG: 2179600 11.4846 -27.6969 -7.73983 -27.6969 21.7122 50.8282 -7.73983 50.8282 -20.0754 GPRESSAVG: 2179600 10.1304 -26.6148 -9.22031 -26.7286 22.5674 48.7174 -9.09925 52.8053 -19.3546 TIMING: 2179600 CPU: 6810.96, 0.00312082/step Wall: 6810.96, 0.00312082/step, 2.44499 hours remaining, 235.148438 MB of memory in use. ENERGY: 2179600 4017.4458 20537.7184 14466.6262 243.1579 -202765.8394 2609.0257 0.0000 0.0000 51936.0545 -108955.8110 298.4772 -160891.8655 -108586.4064 299.3590 -6.4915 24.6226 763587.3265 4.3738 4.4477 PRESSURE: 2179800 278.234 86.6701 10.5259 86.6693 183.354 132.745 10.5258 132.744 36.1686 GPRESSURE: 2179800 309.474 116.37 -39.2492 231.241 243.073 98.3554 171.043 25.2268 37.592 PRESSAVG: 2179800 61.8786 24.6198 -41.499 24.6198 -87.462 49.949 -41.499 49.9491 -29.0598 GPRESSAVG: 2179800 63.1889 23.4576 -41.2852 24.9469 -87.8142 50.7316 -41.6254 48.389 -30.6733 TIMING: 2179800 CPU: 6811.59, 0.00314683/step Wall: 6811.59, 0.00314683/step, 2.46519 hours remaining, 235.148438 MB of memory in use. ENERGY: 2179800 3917.5762 20532.0633 14425.5905 268.3490 -203106.1126 2814.1207 0.0000 0.0000 52241.4409 -108906.9720 300.2323 -161148.4128 -108543.4834 299.3302 165.9190 196.7129 763005.2536 -18.2144 -18.4328 PRESSURE: 2180000 -215.646 219.295 36.1545 219.294 247.883 181.679 36.1546 181.679 -149.174 GPRESSURE: 2180000 -92.9645 143.119 -21.6353 129.342 251.712 156.228 -18.3939 121.393 -202.296 PRESSAVG: 2180000 1.54361 38.4771 -14.8402 38.4771 -28.2926 45.9803 -14.8402 45.9803 -22.341 GPRESSAVG: 2180000 1.27684 40.9202 -14.7294 39.2625 -28.437 44.4519 -14.0256 47.3072 -22.13 TIMING: 2180000 CPU: 6812.22, 0.00314364/step Wall: 6812.22, 0.00314364/step, 2.46252 hours remaining, 235.148438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2180000 3950.7095 20632.3419 14498.6955 240.9067 -203168.5966 2905.6477 0.0000 0.0000 51962.3316 -108977.9637 298.6282 -160940.2953 -108621.7687 299.5105 -38.9790 -14.5160 762413.5485 -16.3634 -16.4301 PRESSURE: 2180200 217.185 126.466 -31.0425 126.466 -125.923 -58.8629 -31.043 -58.8636 50.9088 GPRESSURE: 2180200 224.431 75.395 39.5249 95.0949 -72.3322 -42.0416 -93.084 -21.8112 52.8796 PRESSAVG: 2180200 22.1449 -7.48647 27.5914 -7.48643 -4.81103 11.6687 27.5914 11.6688 -7.12205 GPRESSAVG: 2180200 20.9987 -8.63127 26.1978 -10.7142 -3.6264 12.2246 28.0289 11.6452 -7.14005 TIMING: 2180200 CPU: 6812.84, 0.00311664/step Wall: 6812.84, 0.00311664/step, 2.44119 hours remaining, 235.148438 MB of memory in use. ENERGY: 2180200 4001.8433 20466.4577 14509.5067 238.9258 -203162.0149 2744.6447 0.0000 0.0000 52132.9421 -109067.6947 299.6087 -161200.6368 -108710.4885 299.9558 47.3901 68.3261 762986.5087 3.4040 3.4108 LDB: ============= START OF LOAD BALANCING ============== 6825.32 LDB: ============== END OF LOAD BALANCING =============== 6825.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6825.33 LDB: ============= START OF LOAD BALANCING ============== 6825.64 LDB: Largest compute 6985 load 0.029983 is 15.4% of average load 0.195034 LDB: Average compute 0.004431 is 2.3% of average load 0.195034 LDB: TIME 6825.65 LOAD: AVG 0.195034 MAX 0.213795 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.562 MB LDB: TIME 6825.65 LOAD: AVG 0.195034 MAX 0.213795 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.766 MB LDB: TIME 6825.65 LOAD: AVG 0.195034 MAX 0.213795 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.766 MB LDB: ============== END OF LOAD BALANCING =============== 6825.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6825.65 PRESSURE: 2180400 167.233 46.4262 175.809 46.4263 56.7236 -15.5743 175.808 -15.5737 97.5371 GPRESSURE: 2180400 255.419 1.98238 174.535 -17.0185 47.3476 -8.59608 214.718 -123.168 99.486 PRESSAVG: 2180400 4.4618 22.6498 10.3639 22.6498 -9.15542 37.8363 10.3639 37.8363 -17.0008 GPRESSAVG: 2180400 4.81178 22.9461 10.8822 23.3538 -10.8355 38.68 10.9936 36.829 -15.761 TIMING: 2180400 CPU: 6813.49, 0.0032156/step Wall: 6813.49, 0.0032156/step, 2.51853 hours remaining, 234.109375 MB of memory in use. ENERGY: 2180400 3936.7367 20510.9892 14516.3763 239.4997 -203352.7502 2890.6569 0.0000 0.0000 52303.1190 -108955.3723 300.5867 -161258.4913 -108598.1749 299.5179 107.1646 134.0841 764265.0372 -7.2315 -7.2616 PRESSURE: 2180600 46.3245 -88.8279 38.2594 -88.8282 250.327 117.669 38.2592 117.668 -37.8863 GPRESSURE: 2180600 105.065 11.0323 40.0587 -84.5488 236.9 128.795 -16.4871 116.933 17.0332 PRESSAVG: 2180600 35.8878 30.5834 6.66535 30.5833 -6.57647 -3.45127 6.66535 -3.45124 -20.8309 GPRESSAVG: 2180600 37.1703 31.3233 7.09975 31.8785 -6.96602 -2.52966 8.23366 -3.98885 -22.0746 TIMING: 2180600 CPU: 6814.11, 0.00312123/step Wall: 6814.11, 0.00312123/step, 2.44444 hours remaining, 234.109375 MB of memory in use. ENERGY: 2180600 3975.2815 20470.0756 14461.3637 246.4610 -203598.7267 3149.6952 0.0000 0.0000 52177.2226 -109118.6272 299.8632 -161295.8498 -108754.5962 299.8260 86.2550 119.6660 763909.5039 2.8268 2.7099 PRESSURE: 2180800 -688.053 -108.531 98.1221 -108.53 -272.736 -241.773 98.1219 -241.773 27.9169 GPRESSURE: 2180800 -559.46 -102.386 70.8681 -57.7504 -337.011 -345.809 88.3656 -216.443 48.712 PRESSAVG: 2180800 -39.9106 -26.7716 7.49395 -26.7717 9.80656 -54.4016 7.49404 -54.4015 2.0807 GPRESSAVG: 2180800 -42.4852 -26.4472 6.95547 -28.4192 10.5563 -56.1925 4.46804 -53.0104 3.881 TIMING: 2180800 CPU: 6814.74, 0.00312804/step Wall: 6814.74, 0.00312803/step, 2.4496 hours remaining, 234.109375 MB of memory in use. ENERGY: 2180800 4079.4836 20475.4164 14447.8846 216.1015 -203252.9296 2621.3023 0.0000 0.0000 52392.4380 -109020.3032 301.1001 -161412.7412 -108665.0666 299.6228 -310.9575 -282.5866 764808.1806 -9.3411 -9.3493 PRESSURE: 2181000 -223.82 -36.8384 -23.2432 -36.8377 33.5209 28.858 -23.242 28.8583 -238.308 GPRESSURE: 2181000 -163.983 -9.75707 -103.638 -153.593 1.94143 24.2557 -2.12974 138.629 -183.705 PRESSAVG: 2181000 -29.4451 33.3842 5.1141 33.3842 38.5348 30.7493 5.11415 30.7493 -7.31868 GPRESSAVG: 2181000 -28.4836 30.6639 4.29975 35.7058 38.3989 32.8247 4.26075 29.3227 -8.04788 TIMING: 2181000 CPU: 6815.36, 0.00312136/step Wall: 6815.36, 0.00312136/step, 2.4442 hours remaining, 234.109375 MB of memory in use. ENERGY: 2181000 4007.0054 20665.2472 14434.1000 234.9953 -203335.7066 2848.6985 0.0000 0.0000 52034.1422 -109111.5181 299.0409 -161145.6603 -108749.8319 299.5145 -142.8691 -115.2492 763320.1202 0.5903 0.6225 PRESSURE: 2181200 239.003 27.2883 -160.22 27.2882 -169.694 -1.55035 -160.22 -1.55067 222.837 GPRESSURE: 2181200 213.963 38.4976 -136.27 -20.6014 -141.106 -29.4396 -131.68 84.5814 292.649 PRESSAVG: 2181200 -40.4976 12.6803 8.08867 12.6802 43.9407 59.6212 8.08867 59.6212 11.7436 GPRESSAVG: 2181200 -40.4019 15.86 8.34546 11.2827 43.7624 57.9631 8.84196 60.4056 12.1164 TIMING: 2181200 CPU: 6815.99, 0.0031486/step Wall: 6815.99, 0.0031486/step, 2.46535 hours remaining, 234.109375 MB of memory in use. ENERGY: 2181200 3988.7826 20603.4896 14370.0909 257.3133 -203307.9790 2813.6738 0.0000 0.0000 52074.3034 -109200.3253 299.2717 -161274.6287 -108841.0303 299.2353 97.3821 121.8353 761876.4052 5.0622 5.1590 PRESSURE: 2181400 35.9958 -193.269 -33.3053 -193.268 387.781 88.725 -33.3058 88.7246 141.33 GPRESSURE: 2181400 136.522 -160.49 33.9612 -240.116 331.614 64.6735 -31.8138 33.214 173.214 PRESSAVG: 2181400 -37.9276 -13.9167 -5.88351 -13.9168 21.2438 -8.67442 -5.88356 -8.67429 11.8026 GPRESSAVG: 2181400 -38.041 -16.2352 -5.41916 -13.6529 20.9539 -8.71577 -7.25926 -7.30118 12.0195 TIMING: 2181400 CPU: 6816.62, 0.00313456/step Wall: 6816.62, 0.00313456/step, 2.45419 hours remaining, 234.109375 MB of memory in use. ENERGY: 2181400 3966.8583 20588.9204 14422.9779 238.8511 -203065.3627 2519.2300 0.0000 0.0000 52063.4045 -109265.1206 299.2091 -161328.5251 -108908.4425 298.8788 188.3691 213.7833 761933.6923 -1.6271 -1.6892 PRESSURE: 2181600 -112.784 -6.02676 -64.8275 -6.02683 77.7446 106.37 -64.8273 106.37 -305.849 GPRESSURE: 2181600 49.2227 92.292 -126.733 12.5235 51.6769 145.373 -77.8519 9.5697 -370.466 PRESSAVG: 2181600 -0.37778 21.4745 56.649 21.4745 -1.70017 -24.3305 56.6489 -24.3305 27.7195 GPRESSAVG: 2181600 -0.239192 23.6838 54.2995 21.7886 -1.59496 -22.4318 58.1015 -27.2922 27.1052 TIMING: 2181600 CPU: 6817.24, 0.00311433/step Wall: 6817.24, 0.00311433/step, 2.43817 hours remaining, 234.109375 MB of memory in use. ENERGY: 2181600 3960.8023 20499.8312 14532.3630 248.2624 -203111.3490 2666.5823 0.0000 0.0000 52082.7009 -109120.8068 299.3200 -161203.5077 -108752.8076 299.3990 -113.6294 -89.8555 764111.9372 8.5472 8.4237 PRESSURE: 2181800 195.563 -9.64313 46.7307 -9.64225 -185.685 -120.788 46.7303 -120.789 244.141 GPRESSURE: 2181800 206.259 -80.6505 96.5201 -159.532 -116.405 -99.3712 -121.931 -70.6744 233.943 PRESSAVG: 2181800 7.09875 -3.52263 -12.4776 -3.52258 -14.9623 -20.4159 -12.4776 -20.416 -29.2286 GPRESSAVG: 2181800 7.31414 -6.86298 -9.10151 -2.62296 -15.051 -20.9788 -14.8113 -18.7503 -29.3755 TIMING: 2181800 CPU: 6817.86, 0.00311361/step Wall: 6817.86, 0.00311361/step, 2.43743 hours remaining, 234.109375 MB of memory in use. ENERGY: 2181800 3998.9804 20561.4536 14435.0214 253.7931 -203768.4709 3158.8234 0.0000 0.0000 52262.8175 -109097.5814 300.3551 -161360.3989 -108731.0632 299.4363 84.6731 107.9322 762787.2429 -12.3640 -12.3708 PRESSURE: 2182000 -443.762 27.5833 168.848 27.584 -106.066 -3.77379 168.848 -3.77449 -92.2726 GPRESSURE: 2182000 -406.929 113.631 115.103 -39.2504 -114.6 -150.855 156.981 -24.1739 -37.8872 PRESSAVG: 2182000 65.2855 -21.6191 -15.9891 -21.6191 -36.6535 -58.7617 -15.9891 -58.7617 1.09123 GPRESSAVG: 2182000 64.3075 -19.9653 -15.795 -23.8471 -36.6477 -59.497 -14.7729 -58.0204 2.52961 TIMING: 2182000 CPU: 6818.49, 0.00314403/step Wall: 6818.49, 0.00314403/step, 2.46108 hours remaining, 234.109375 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: 2182000 4085.2132 20532.6387 14437.6839 235.9968 -203492.4271 2866.3596 0.0000 0.0000 52083.0234 -109251.5115 299.3219 -161334.5350 -108881.7592 299.5707 -214.0337 -186.4718 763177.9744 9.9078 10.0631 PRESSURE: 2182200 -85.326 -105.532 -216.414 -105.534 -460.769 83.6215 -216.414 83.6229 -88.1239 GPRESSURE: 2182200 -122.925 -47.9039 -226.922 -88.959 -389.44 113.676 -325.337 120.14 -33.4491 PRESSAVG: 2182200 -0.185924 17.4201 -10.0114 17.42 -14.7804 -16.4962 -10.0115 -16.4961 15.6417 GPRESSAVG: 2182200 0.193476 16.789 -11.005 19.7601 -14.4668 -13.8383 -12.8569 -17.6681 15.1015 TIMING: 2182200 CPU: 6819.12, 0.00314411/step Wall: 6819.12, 0.00314411/step, 2.46097 hours remaining, 234.109375 MB of memory in use. ENERGY: 2182200 4058.0733 20700.4715 14426.4480 255.2957 -203121.9314 2557.4808 0.0000 0.0000 51968.9103 -109155.2520 298.6660 -161124.1623 -108803.2220 299.4714 -211.4062 -181.9379 763183.1494 0.2251 0.2760 PRESSURE: 2182400 -90.1259 100.218 -97.9642 100.218 116.64 246.721 -97.9644 246.722 -206.411 GPRESSURE: 2182400 -79.577 147.012 -120.813 167.797 145.837 274.553 -70.7004 302.045 -174.065 PRESSAVG: 2182400 37.7207 -0.505421 -30.4112 -0.505404 -3.22284 -10.7507 -30.4112 -10.7507 11.4016 GPRESSAVG: 2182400 38.1293 0.705014 -30.3855 -2.41219 -2.94083 -13.7051 -29.4229 -8.36678 10.3234 TIMING: 2182400 CPU: 6819.75, 0.00314257/step Wall: 6819.75, 0.00314257/step, 2.45959 hours remaining, 234.109375 MB of memory in use. ENERGY: 2182400 4032.2292 20560.7804 14426.1326 241.2326 -203743.3488 3162.9321 0.0000 0.0000 52219.7605 -109100.2813 300.1077 -161320.0418 -108737.3556 299.8677 -59.9656 -35.9350 764777.2074 15.2998 15.1706 PRESSURE: 2182600 -90.7646 124.792 -120.536 124.792 -147.646 86.2097 -120.535 86.2103 -152.785 GPRESSURE: 2182600 -67.1137 128.825 -135.359 160.286 -176.682 92.9082 -123.7 49.8626 -50.7842 PRESSAVG: 2182600 -60.2151 -20.2363 -16.808 -20.2363 55.1188 -55.4615 -16.808 -55.4616 -8.3221 GPRESSAVG: 2182600 -60.7526 -21.5417 -18.3054 -18.7528 54.4605 -55.7726 -13.155 -58.3149 -7.01587 TIMING: 2182600 CPU: 6820.38, 0.003136/step Wall: 6820.38, 0.003136/step, 2.45427 hours remaining, 234.109375 MB of memory in use. ENERGY: 2182600 4017.6027 20578.4461 14426.0761 247.2428 -203422.8426 2791.9709 0.0000 0.0000 52322.0601 -109039.4440 300.6956 -161361.5041 -108672.0569 299.9898 -130.3985 -98.1933 763617.2897 -4.4728 -4.4360 PRESSURE: 2182800 -348.274 -50.0254 -43.4925 -50.0257 -259.832 9.86462 -43.4916 9.86412 -411.374 GPRESSURE: 2182800 -329.352 33.7934 18.1079 -47.7691 -155.404 58.5857 -88.5525 128.263 -456.925 PRESSAVG: 2182800 -8.92472 17.9317 7.48387 17.9317 2.44151 -57.0602 7.48385 -57.0601 3.4704 GPRESSAVG: 2182800 -9.08467 18.972 9.38151 16.1397 3.64617 -55.674 4.88498 -55.2187 2.31133 TIMING: 2182800 CPU: 6821.01, 0.00315205/step Wall: 6821.01, 0.00315205/step, 2.46665 hours remaining, 234.109375 MB of memory in use. ENERGY: 2182800 4073.6635 20680.8685 14505.7572 258.7794 -203299.9619 2638.7240 0.0000 0.0000 52227.4857 -108914.6835 300.1521 -161142.1692 -108549.3093 299.8049 -339.8267 -313.8936 763354.5718 -1.0043 -1.0424 PRESSURE: 2183000 98.3482 -97.7661 -72.713 -97.7652 173.821 -62.6928 -72.7133 -62.6928 338.078 GPRESSURE: 2183000 176.729 -178.57 -105.691 -105.057 181.151 -37.8477 -107.054 -86.1024 310.177 PRESSAVG: 2183000 6.94089 -0.274275 -4.7229 -0.274306 -7.40234 -19.1232 -4.72294 -19.1231 -3.70328 GPRESSAVG: 2183000 6.68526 -0.878759 -5.96239 0.0141803 -7.64502 -20.3147 -3.46958 -16.9508 -2.98922 TIMING: 2183000 CPU: 6821.64, 0.00314835/step Wall: 6821.64, 0.00314835/step, 2.46358 hours remaining, 234.109375 MB of memory in use. ENERGY: 2183000 4069.6090 20591.7580 14393.8466 246.9373 -203345.6375 2952.7055 0.0000 0.0000 52069.9209 -109020.8601 299.2466 -161090.7810 -108661.4479 300.1324 203.4157 222.6858 763849.5041 -1.3882 -1.3163 PRESSURE: 2183200 -641.472 187.627 -128.871 187.626 -201.014 -17.4015 -128.871 -17.4019 -592.863 GPRESSURE: 2183200 -575.727 278.261 -179.758 24.6722 -282.729 -48.5376 -48.2821 -136.784 -519.349 PRESSAVG: 2183200 -20.1742 56.6728 -21.8253 56.6728 -18.7445 9.02273 -21.8253 9.02266 30.7254 GPRESSAVG: 2183200 -19.404 56.3261 -19.8286 57.6754 -20.2672 9.46361 -23.366 6.9728 31.4682 TIMING: 2183200 CPU: 6822.26, 0.00313052/step Wall: 6822.26, 0.00313052/step, 2.44946 hours remaining, 234.109375 MB of memory in use. ENERGY: 2183200 3992.2361 20477.6611 14401.2443 246.6296 -202911.1332 2359.5276 0.0000 0.0000 52239.7192 -109194.1151 300.2224 -161433.8344 -108817.3874 299.5352 -478.4497 -459.2685 764329.4067 -2.7311 -2.7343 PRESSURE: 2183400 169.644 76.5633 -92.5599 76.5634 -72.3864 298.132 -92.5598 298.134 -185.784 GPRESSURE: 2183400 101.326 173.332 -129.659 64.7485 19.9072 173.186 -205.375 238.02 -125.454 PRESSAVG: 2183400 41.9793 -2.72699 -35.3852 -2.72693 -17.5488 20.0038 -35.3852 20.0038 7.61748 GPRESSAVG: 2183400 41.3856 -2.21918 -36.0473 -2.94406 -17.1489 18.2086 -35.6084 21.4267 7.93284 TIMING: 2183400 CPU: 6822.89, 0.00311232/step Wall: 6822.89, 0.00311232/step, 2.43505 hours remaining, 234.109375 MB of memory in use. ENERGY: 2183400 4013.9462 20666.0003 14439.8892 248.7262 -203225.0931 2723.3047 0.0000 0.0000 51880.8283 -109252.3982 298.1598 -161133.2265 -108883.4742 299.1373 -29.5089 -1.4070 763648.1094 10.6826 10.7232 PRESSURE: 2183600 -291.856 98.565 78.4446 98.5649 -159.565 22.8412 78.4448 22.841 -358.802 GPRESSURE: 2183600 -285.124 170.328 77.7217 11.7118 -186.154 49.6654 -54.213 150.311 -261.043 PRESSAVG: 2183600 10.3509 -1.26024 -22.1425 -1.26021 -35.4754 -8.82621 -22.1425 -8.82628 -13.9633 GPRESSAVG: 2183600 10.3852 -1.09533 -23.1472 -2.55201 -34.8234 -6.11276 -22.4805 -11.2538 -14.698 TIMING: 2183600 CPU: 6823.51, 0.00312776/step Wall: 6823.51, 0.00312776/step, 2.44695 hours remaining, 234.109375 MB of memory in use. ENERGY: 2183600 3957.9412 20543.0349 14449.7777 252.9095 -203426.0506 2843.9020 0.0000 0.0000 52005.8669 -109372.6185 298.8784 -161378.4854 -108999.9825 299.2494 -270.0739 -244.1068 763801.7617 -13.0293 -13.0454 PRESSURE: 2183800 25.8815 30.7182 -267.806 30.718 34.0553 -132.096 -267.807 -132.097 254.28 GPRESSURE: 2183800 131.009 -65.6927 -295.572 95.2775 8.68455 -30.8805 -203.75 -123.147 258.164 PRESSAVG: 2183800 -50.7222 -0.20526 -29.0008 -0.205276 55.1501 -8.14855 -29.0008 -8.14852 6.72922 GPRESSAVG: 2183800 -50.3315 0.11135 -26.7969 0.655961 53.2617 -8.46156 -30.1901 -7.12072 8.00609 TIMING: 2183800 CPU: 6824.13, 0.00310976/step Wall: 6824.13, 0.00310976/step, 2.4327 hours remaining, 234.109375 MB of memory in use. ENERGY: 2183800 3958.3641 20530.1328 14349.6607 233.9505 -203448.6216 2921.6476 0.0000 0.0000 52073.2412 -109381.6247 299.2656 -161454.8659 -109017.2231 299.2609 104.7388 132.6194 763328.9889 3.7191 3.6454 PRESSURE: 2184000 -152.662 -61.5256 -110.225 -61.5259 120.546 -76.5065 -110.225 -76.5073 226.559 GPRESSURE: 2184000 -4.29633 29.0542 -225.506 10.1834 111.892 -65.0081 -77.1095 -15.0128 192.534 PRESSAVG: 2184000 -11.2375 -75.5923 -9.12001 -75.5922 5.3185 -15.7572 -9.12001 -15.7573 -21.0729 GPRESSAVG: 2184000 -10.4477 -75.9579 -11.4895 -75.6196 6.48414 -16.7285 -8.04235 -15.0659 -22.9865 TIMING: 2184000 CPU: 6824.76, 0.00311306/step Wall: 6824.76, 0.00311306/step, 2.4351 hours remaining, 234.109375 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: 2184000 3906.4901 20437.7738 14418.2654 242.5472 -203520.1112 2935.4005 0.0000 0.0000 52000.3657 -109579.2685 298.8468 -161579.6342 -109227.5765 298.3572 64.8144 100.0435 762241.4913 -8.9973 -8.9834 PRESSURE: 2184200 -217.162 -22.3799 144.353 -22.3798 -73.3187 91.2112 144.353 91.2112 167.117 GPRESSURE: 2184200 -212.894 33.0689 94.0191 -95.0419 -35.0733 186.623 148.312 107.601 190.402 PRESSAVG: 2184200 -19.0047 -23.6981 -15.7598 -23.6981 9.66163 -21.1039 -15.7598 -21.104 -24.312 GPRESSAVG: 2184200 -19.6553 -25.0444 -14.8464 -23.1749 8.26961 -19.0318 -15.967 -22.1268 -22.7374 TIMING: 2184200 CPU: 6825.37, 0.00309749/step Wall: 6825.37, 0.00309749/step, 2.42276 hours remaining, 234.109375 MB of memory in use. ENERGY: 2184200 4002.6078 20566.0187 14521.6621 246.8706 -203129.0835 2618.4101 0.0000 0.0000 51651.5146 -109521.9997 296.8420 -161173.5143 -109165.8368 298.2563 -41.1212 -19.1887 764612.5567 -11.2183 -11.3744 LDB: ============= START OF LOAD BALANCING ============== 6837.85 LDB: ============== END OF LOAD BALANCING =============== 6837.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6837.85 LDB: ============= START OF LOAD BALANCING ============== 6838.16 LDB: Largest compute 6985 load 0.031184 is 16.0% of average load 0.195099 LDB: Average compute 0.004414 is 2.3% of average load 0.195099 LDB: TIME 6838.17 LOAD: AVG 0.195099 MAX 0.218013 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.852 MB LDB: TIME 6838.17 LOAD: AVG 0.195099 MAX 0.218013 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.055 MB LDB: TIME 6838.17 LOAD: AVG 0.195099 MAX 0.217627 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.055 MB LDB: ============== END OF LOAD BALANCING =============== 6838.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6838.17 PRESSURE: 2184400 -449.966 -22.1138 95.7944 -22.1138 27.7149 319.314 95.7932 319.314 -197.584 GPRESSURE: 2184400 -446.603 -93.287 70.3493 18.2359 133.212 233.371 36.6991 356.165 -234.245 PRESSAVG: 2184400 -46.6894 -19.1491 -10.9417 -19.1491 25.1966 -21.8953 -10.9418 -21.8953 11.1556 GPRESSAVG: 2184400 -47.494 -17.7811 -11.9478 -19.279 25.6024 -24.1835 -9.65418 -20.6154 11.3074 TIMING: 2184400 CPU: 6826.01, 0.00317128/step Wall: 6826.01, 0.00317128/step, 2.48029 hours remaining, 236.242188 MB of memory in use. ENERGY: 2184400 3954.3725 20493.4280 14464.9549 255.1513 -202819.0820 2502.3103 0.0000 0.0000 51857.4511 -109291.4139 298.0255 -161148.8651 -108930.0263 298.6453 -206.6116 -182.5452 765079.7416 -3.4457 -3.5281 PRESSURE: 2184600 -168.611 52.9661 -26.8208 52.9672 13.4644 77.8757 -26.8209 77.8761 -9.38308 GPRESSURE: 2184600 -65.923 78.1554 -49.1929 -76.1046 0.536155 65.7539 -66.4803 73.9165 -2.60418 PRESSAVG: 2184600 -10.2851 8.39601 1.62474 8.39601 -20.8362 21.5971 1.62476 21.5972 6.57826 GPRESSAVG: 2184600 -9.64867 7.11283 0.258468 6.6 -21.4705 22.6405 0.941103 18.762 5.99682 TIMING: 2184600 CPU: 6826.63, 0.00308222/step Wall: 6826.63, 0.00308222/step, 2.41047 hours remaining, 236.445312 MB of memory in use. ENERGY: 2184600 3987.6402 20600.7223 14397.6953 267.5611 -203490.0333 2891.9185 0.0000 0.0000 51954.4042 -109390.0916 298.5827 -161344.4958 -109039.6243 298.8361 -54.8434 -22.6637 763879.2800 -8.1810 -8.3741 PRESSURE: 2184800 -497.552 59.0548 -228.846 59.0552 37.6802 -173.82 -228.847 -173.82 -628.269 GPRESSURE: 2184800 -507.425 -121.294 -199.342 116.813 5.41731 -206.449 -266.5 -103.573 -500.832 PRESSAVG: 2184800 0.895091 -21.5842 -21.8945 -21.5841 30.2152 -49.5572 -21.8945 -49.5573 -0.33994 GPRESSAVG: 2184800 0.418127 -22.2914 -21.233 -18.8886 29.8719 -49.7127 -20.0589 -47.9235 0.370246 TIMING: 2184800 CPU: 6827.24, 0.0030857/step Wall: 6827.24, 0.0030857/step, 2.41302 hours remaining, 236.445312 MB of memory in use. ENERGY: 2184800 4008.6943 20446.2866 14440.7931 249.4170 -203124.6757 2509.7132 0.0000 0.0000 52140.7929 -109328.9786 299.6539 -161469.7715 -108952.3224 298.9756 -362.7135 -334.2799 762691.0352 10.2568 10.2201 PRESSURE: 2185000 253 116.514 15.2867 116.514 295.564 -21.6045 15.2867 -21.6038 173.067 GPRESSURE: 2185000 220.492 36.442 11.7554 9.31644 295.531 16.5256 1.96368 -101.773 283.672 PRESSAVG: 2185000 -11.8899 27.9206 60.88 27.9205 71.366 -37.6293 60.88 -37.6293 -16.5945 GPRESSAVG: 2185000 -13.4175 29.3968 63.2541 27.545 72.0251 -39.1222 59.3295 -36.7471 -16.5282 TIMING: 2185000 CPU: 6827.86, 0.00307767/step Wall: 6827.86, 0.00307767/step, 2.40657 hours remaining, 236.445312 MB of memory in use. ENERGY: 2185000 3942.6828 20435.0788 14480.9637 248.5447 -203347.0103 2934.4617 0.0000 0.0000 52031.1098 -109274.1688 299.0235 -161305.2786 -108903.0271 299.0282 240.5434 266.5650 761126.6760 14.2939 14.0264 PRESSURE: 2185200 22.8409 -57.3758 188.096 -57.3758 -240.142 65.5461 188.097 65.5449 161.357 GPRESSURE: 2185200 -1.12956 -25.002 127.355 -75.952 -161.22 77.4197 76.3551 61.7705 205.698 PRESSAVG: 2185200 -27.9502 -4.90773 79.5922 -4.90777 19.69 -22.9174 79.5922 -22.9173 -12.8675 GPRESSAVG: 2185200 -26.4848 -4.6211 78.9531 -4.84627 18.7955 -21.8756 77.3169 -22.5734 -13.639 TIMING: 2185200 CPU: 6828.48, 0.00308917/step Wall: 6828.48, 0.00308917/step, 2.41539 hours remaining, 236.445312 MB of memory in use. ENERGY: 2185200 3951.2268 20547.9092 14459.7021 253.7509 -203092.0769 2709.1292 0.0000 0.0000 52083.3333 -109087.0255 299.3236 -161170.3588 -108719.6225 299.5453 -18.6481 14.4497 761847.5345 -7.0426 -7.1094 PRESSURE: 2185400 -10.7653 33.1319 -245.694 33.1318 110.07 -29.7487 -245.694 -29.7489 230.035 GPRESSURE: 2185400 52.0141 -115.175 -218.334 60.3683 139.348 -71.1067 -132.748 -53.3805 224.428 PRESSAVG: 2185400 41.0404 -27.2416 -13.6127 -27.2416 -16.8778 -13.3744 -13.6128 -13.3745 7.24936 GPRESSAVG: 2185400 39.3988 -26.9247 -13.7138 -29.2106 -16.1363 -12.959 -11.0603 -15.2539 7.99767 TIMING: 2185400 CPU: 6829.09, 0.00308203/step Wall: 6829.09, 0.00308203/step, 2.40963 hours remaining, 236.445312 MB of memory in use. ENERGY: 2185400 3975.0586 20520.1492 14471.0309 245.3985 -203172.2492 2543.1175 0.0000 0.0000 52292.7501 -109124.7445 300.5272 -161417.4945 -108764.4855 300.3731 109.7799 138.5968 762211.6550 10.4707 10.4200 PRESSURE: 2185600 163.792 -80.0051 -114.712 -80.0043 269.96 95.7931 -114.712 95.7926 319.172 GPRESSURE: 2185600 212.756 -0.179189 -144.343 -95.7414 236.235 134.317 -8.87324 169.304 383.66 PRESSAVG: 2185600 -7.32711 -6.52374 -3.99163 -6.52374 -12.3743 -11.8176 -3.9917 -11.8177 0.911497 GPRESSAVG: 2185600 -6.95879 -6.69714 -3.81337 -5.71537 -12.4714 -11.8386 -1.97772 -9.93371 0.900827 TIMING: 2185600 CPU: 6829.71, 0.00308193/step Wall: 6829.71, 0.00308193/step, 2.40939 hours remaining, 236.445312 MB of memory in use. ENERGY: 2185600 4020.1182 20439.9458 14485.4597 245.9998 -203620.1130 3068.7270 0.0000 0.0000 52060.0437 -109299.8189 299.1898 -161359.8625 -108939.3075 299.4681 250.9748 277.5503 762539.7740 -6.2633 -6.1764 PRESSURE: 2185800 116.712 84.9953 -165.925 84.9956 68.6795 -125.757 -165.926 -125.757 568.602 GPRESSURE: 2185800 112.063 117.87 -189.653 69.2493 102.455 -200.497 -220.301 -26.1215 610.707 PRESSAVG: 2185800 28.7709 -47.4219 19.1077 -47.4219 -32.0086 2.3925 19.1077 2.39252 -4.99724 GPRESSAVG: 2185800 29.2362 -47.8605 19.2578 -48.4497 -31.4743 2.44635 17.1857 0.653176 -6.52359 TIMING: 2185800 CPU: 6830.33, 0.00308926/step Wall: 6830.33, 0.00308926/step, 2.41495 hours remaining, 236.445312 MB of memory in use. ENERGY: 2185800 3997.1860 20583.9724 14485.8518 253.7769 -203739.9155 3178.4203 0.0000 0.0000 51928.4895 -109312.2187 298.4337 -161240.7081 -108957.6381 299.4171 251.3312 275.0751 763970.3887 -2.7450 -2.9206 PRESSURE: 2186000 164.578 -121.391 8.89476 -121.392 -5.5643 167.295 8.8941 167.295 275.114 GPRESSURE: 2186000 159.764 -149.386 54.9665 -99.5155 86.8821 170.577 -18.4151 40.3933 260.981 PRESSAVG: 2186000 34.2943 0.249433 28.4646 0.249484 -54.3502 -7.93774 28.4646 -7.9377 11.1596 GPRESSAVG: 2186000 32.6439 0.797831 28.4312 4.32119 -53.5444 -9.4325 26.5739 -6.74971 11.82 TIMING: 2186000 CPU: 6830.95, 0.00310365/step Wall: 6830.95, 0.00310365/step, 2.42602 hours remaining, 236.445312 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: 2186000 4006.9617 20327.0294 14467.1228 252.6964 -203660.1162 3113.9927 0.0000 0.0000 52107.9692 -109384.3440 299.4652 -161492.3131 -109027.4299 298.9038 144.7094 169.2090 763176.0164 -2.9654 -3.0268 PRESSURE: 2186200 -29.3571 32.4571 -144.302 32.4565 149.936 130.875 -144.301 130.874 104.183 GPRESSURE: 2186200 46.4654 -108.567 -149.681 23.6561 74.7226 54.178 -57.571 188.204 166.919 PRESSAVG: 2186200 58.2435 -52.4358 -41.631 -52.4359 -53.3577 -22.8033 -41.631 -22.8033 -1.09818 GPRESSAVG: 2186200 60.4182 -53.505 -41.0361 -54.152 -54.6255 -22.7798 -39.489 -23.0705 -2.22492 TIMING: 2186200 CPU: 6831.56, 0.0030789/step Wall: 6831.56, 0.0030789/step, 2.4065 hours remaining, 236.445312 MB of memory in use. ENERGY: 2186200 4024.1117 20549.4325 14448.1883 232.7455 -203452.1864 2848.5569 0.0000 0.0000 51853.4180 -109495.7336 298.0023 -161349.1515 -109142.2638 298.8908 74.9205 96.0358 763877.6773 1.2626 1.1893 PRESSURE: 2186400 -59.6142 -142.674 125.758 -142.674 -215.058 167.35 125.758 167.35 310.067 GPRESSURE: 2186400 33.1032 -79.8359 138.032 -182.833 -176.278 142.47 75.5679 64.8553 256.185 PRESSAVG: 2186400 56.3198 -15.0497 -23.5881 -15.0497 1.03937 4.04259 -23.5881 4.04262 4.08258 GPRESSAVG: 2186400 54.7497 -15.7825 -24.2791 -15.9486 1.99697 4.27818 -22.9021 2.30823 4.39342 TIMING: 2186400 CPU: 6832.18, 0.00308166/step Wall: 6832.18, 0.00308166/step, 2.40849 hours remaining, 236.445312 MB of memory in use. ENERGY: 2186400 3981.9844 20468.6019 14439.9133 256.1888 -203476.3912 2886.1209 0.0000 0.0000 51988.1543 -109455.4275 298.7766 -161443.5818 -109094.7354 298.8385 11.7983 37.6699 763233.5966 20.4806 20.3800 PRESSURE: 2186600 279.869 -66.5715 -37.0474 -66.5706 60.48 78.9512 -37.0469 78.9508 162.434 GPRESSURE: 2186600 336.484 -92.0158 25.205 -39.2882 54.664 84.1203 -137.479 187.703 178.331 PRESSAVG: 2186600 -12.2423 -16.9849 10.0167 -16.9849 27.7788 -20.419 10.0167 -20.419 -3.28339 GPRESSAVG: 2186600 -11.9917 -14.4153 11.4364 -16.1874 27.3868 -20.2043 7.87677 -20.4817 -3.13656 TIMING: 2186600 CPU: 6832.79, 0.00306883/step Wall: 6832.79, 0.00306883/step, 2.39829 hours remaining, 236.445312 MB of memory in use. ENERGY: 2186600 3935.8013 20647.5113 14431.5119 260.0159 -203617.0605 2967.5701 0.0000 0.0000 51931.2945 -109443.3554 298.4499 -161374.6499 -109081.1071 298.7553 167.5943 189.8263 761889.9751 4.0844 4.0862 PRESSURE: 2186800 141.762 21.4907 -137.324 21.4911 195.752 -372.4 -137.325 -372.4 170.196 GPRESSURE: 2186800 76.3137 49.8526 -24.3852 89.5639 233.797 -362.066 -103.566 -250.34 280.697 PRESSAVG: 2186800 23.6843 -49.0665 -26.5303 -49.0666 -35.1128 8.52596 -26.5304 8.52596 -6.38572 GPRESSAVG: 2186800 22.2898 -49.7273 -28.2891 -50.2175 -34.7693 9.89662 -25.6126 10.5348 -5.39243 TIMING: 2186800 CPU: 6833.41, 0.00308261/step Wall: 6833.41, 0.00308262/step, 2.40889 hours remaining, 236.445312 MB of memory in use. ENERGY: 2186800 3924.4156 20516.3791 14468.4517 257.7213 -203471.8837 2921.0386 0.0000 0.0000 51996.3414 -109387.5362 298.8237 -161383.8775 -109020.3569 299.0795 169.2366 196.9357 763818.1777 -5.9381 -5.9573 PRESSURE: 2187000 -507.66 8.00393 -28.2354 8.0028 -162.683 -88.1058 -28.237 -88.1059 -192.745 GPRESSURE: 2187000 -309.977 146.405 -159.761 7.15777 -222.551 -131.092 -125.834 5.48036 -269.909 PRESSAVG: 2187000 -30.7785 -34.187 -18.5422 -34.187 -3.1319 -16.6828 -18.5422 -16.6828 9.24019 GPRESSAVG: 2187000 -28.3987 -35.5881 -17.8081 -33.3828 -3.44275 -17.2183 -19.3611 -17.5445 7.30404 TIMING: 2187000 CPU: 6834.03, 0.00309266/step Wall: 6834.03, 0.00309266/step, 2.41657 hours remaining, 236.445312 MB of memory in use. ENERGY: 2187000 3908.8655 20536.3843 14540.9836 255.7864 -202638.1234 2239.6260 0.0000 0.0000 51880.2710 -109276.2066 298.1566 -161156.4775 -108914.7029 298.9426 -287.6960 -267.4789 764527.5478 -8.2234 -8.1791 PRESSURE: 2187200 -77.2572 -32.5248 186.922 -32.5255 137.121 -100 186.922 -100 -177.101 GPRESSURE: 2187200 -23.3285 6.83193 94.172 26.4406 215.379 -55.2971 246.428 -119.231 -212.126 PRESSAVG: 2187200 -53.8808 -40.5232 16.8166 -40.5233 82.4757 27.1052 16.8166 27.1052 22.8851 GPRESSAVG: 2187200 -54.6639 -39.941 16.5727 -42.1986 82.8729 27.4867 18.7238 24.9607 23.3392 TIMING: 2187200 CPU: 6834.65, 0.00309893/step Wall: 6834.65, 0.00309893/step, 2.4213 hours remaining, 236.445312 MB of memory in use. ENERGY: 2187200 3982.0144 20329.7491 14523.2375 250.3373 -203132.4032 2664.3465 0.0000 0.0000 52298.2948 -109084.4236 300.5590 -161382.7183 -108724.1966 299.3857 -39.0791 -6.6920 762098.5611 17.1600 17.1827 PRESSURE: 2187400 197.827 79.6681 106.663 79.6675 151.918 -31.2176 106.664 -31.2169 170.52 GPRESSURE: 2187400 288.544 51.5086 98.9011 44.7954 161.707 -41.6567 41.9567 46.9957 163.404 PRESSAVG: 2187400 -16.4517 -40.3655 -8.20241 -40.3655 -5.2023 25.2633 -8.20239 25.2633 -21.0666 GPRESSAVG: 2187400 -15.1879 -40.5186 -7.62286 -38.4349 -6.18207 24.103 -9.73578 27.6289 -21.4397 TIMING: 2187400 CPU: 6835.27, 0.00309082/step Wall: 6835.27, 0.00309082/step, 2.41479 hours remaining, 236.445312 MB of memory in use. ENERGY: 2187400 3903.7219 20290.3940 14466.9716 236.0295 -202747.0733 2638.0549 0.0000 0.0000 51978.2833 -109233.6182 298.7199 -161211.9016 -108869.3399 299.3110 173.4216 204.5515 763069.5290 -14.2402 -14.2699 PRESSURE: 2187600 16.5889 -165.775 86.5486 -165.775 -84.8226 84.9452 86.5474 84.9452 -505.02 GPRESSURE: 2187600 -74.026 -142.702 30.2363 -112.12 47.4153 63.1793 71.3516 93.9323 -470.571 PRESSAVG: 2187600 -54.5149 -4.2101 1.92912 -4.21017 22.5709 23.3333 1.92911 23.3332 17.0024 GPRESSAVG: 2187600 -54.8878 -5.48279 1.55572 -5.0475 22.7049 24.8387 3.23529 22.8478 16.434 TIMING: 2187600 CPU: 6835.88, 0.0030847/step Wall: 6835.88, 0.0030847/step, 2.40984 hours remaining, 236.445312 MB of memory in use. ENERGY: 2187600 4064.7574 20481.2873 14432.5206 229.3323 -203257.0716 3110.6424 0.0000 0.0000 51787.3016 -109151.2300 297.6223 -160938.5316 -108791.7118 298.6943 -191.0846 -165.7271 766491.2987 -4.9805 -5.2496 PRESSURE: 2187800 -71.4586 33.5598 -153.099 33.5596 287.785 -302.168 -153.099 -302.167 93.8192 GPRESSURE: 2187800 -1.61141 61.0098 -164.402 26.9018 288.476 -245.276 -78.3563 -180.022 96.9341 PRESSAVG: 2187800 26.8224 23.5399 28.1609 23.5399 27.3506 -0.0713388 28.161 -0.0713518 -15.9907 GPRESSAVG: 2187800 25.0858 24.3043 27.8596 24.2207 28.1297 -0.511321 28.1903 -0.0128777 -15.2359 TIMING: 2187800 CPU: 6836.5, 0.00310823/step Wall: 6836.5, 0.00310823/step, 2.42805 hours remaining, 236.445312 MB of memory in use. ENERGY: 2187800 3982.9574 20602.6664 14461.6424 278.6545 -203198.8568 2874.1933 0.0000 0.0000 52015.9705 -108982.7722 298.9365 -160998.7427 -108622.3408 299.4297 103.3820 127.9327 763684.5882 12.7274 12.6599 PRESSURE: 2188000 192.377 -37.1192 65.3627 -37.1192 -211.405 -28.0158 65.3623 -28.0162 -164.178 GPRESSURE: 2188000 206.361 -139.26 86.867 -69.6403 -196.332 5.35703 211.753 8.6391 -117.087 PRESSAVG: 2188000 87.9046 11.7792 -38.3276 11.7792 -11.7833 4.1605 -38.3277 4.1605 16.725 GPRESSAVG: 2188000 89.5743 11.4064 -37.5956 10.9656 -12.5216 3.24503 -37.8578 4.13645 16.3069 TIMING: 2188000 CPU: 6837.12, 0.00309199/step Wall: 6837.12, 0.00309199/step, 2.41519 hours remaining, 236.445312 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: 2188000 3894.9934 20476.5866 14601.3162 250.6487 -203211.7580 2676.5165 0.0000 0.0000 52006.5642 -109305.1324 298.8824 -161311.6965 -108935.6705 299.3551 -61.0686 -35.6861 761368.0011 30.9488 31.1199 PRESSURE: 2188200 -167.232 -255.226 10.7184 -255.226 -212.32 170.966 10.7185 170.967 421.581 GPRESSURE: 2188200 -92.8705 -252.778 -35.6751 -165.054 -154.995 139.674 -103.179 291.366 383.123 PRESSAVG: 2188200 39.2263 -44.2616 -20.0799 -44.2616 3.16669 -9.95338 -20.0799 -9.95342 12.2205 GPRESSAVG: 2188200 38.1935 -43.4826 -19.8278 -44.9452 3.57419 -10.1942 -21.8194 -7.84284 12.9455 TIMING: 2188200 CPU: 6837.74, 0.00308119/step Wall: 6837.74, 0.00308119/step, 2.40658 hours remaining, 236.445312 MB of memory in use. ENERGY: 2188200 3973.8070 20334.5428 14505.5746 238.8423 -203566.4395 2987.1898 0.0000 0.0000 52226.4448 -109300.0382 300.1461 -161526.4830 -108937.2710 299.1604 14.0095 45.0859 763415.1521 18.2045 18.2377 LDB: ============= START OF LOAD BALANCING ============== 6850.21 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6850.21 LDB: =============== DONE WITH MIGRATION ================ 6850.22 LDB: ============= START OF LOAD BALANCING ============== 6850.53 LDB: Largest compute 7078 load 0.030200 is 15.5% of average load 0.195117 LDB: Average compute 0.004405 is 2.3% of average load 0.195117 LDB: TIME 6850.53 LOAD: AVG 0.195117 MAX 0.214632 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.75 MB LDB: TIME 6850.53 LOAD: AVG 0.195117 MAX 0.214632 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.789 MB LDB: TIME 6850.53 LOAD: AVG 0.195117 MAX 0.214632 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.789 MB LDB: ============== END OF LOAD BALANCING =============== 6850.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6850.54 PRESSURE: 2188400 -11.3698 -41.1901 -46.2892 -41.1898 -140.759 211.41 -46.2892 211.411 -283 GPRESSURE: 2188400 17.2622 -108.063 -49.2566 25.5016 -118.483 171.089 -50.6958 109.267 -244.816 PRESSAVG: 2188400 44.4577 -45.9839 5.77502 -45.9839 -32.7104 37.3159 5.775 37.3159 -7.0101 GPRESSAVG: 2188400 45.8471 -45.9747 4.19179 -45.9588 -32.9311 38.2869 7.60899 33.3033 -8.47457 TIMING: 2188400 CPU: 6838.37, 0.00315497/step Wall: 6838.37, 0.00315497/step, 2.46403 hours remaining, 234.500000 MB of memory in use. ENERGY: 2188400 3996.3647 20337.3839 14515.6780 233.6057 -202881.1214 2447.6099 0.0000 0.0000 52149.8628 -109200.6164 299.7060 -161350.4792 -108828.8630 299.2350 -145.0430 -115.3456 763748.7320 1.5791 1.4805 PRESSURE: 2188600 -354.92 156.897 113.76 156.898 -39.6028 4.25459 113.76 4.25444 -208.641 GPRESSURE: 2188600 -256.246 61.248 104.197 43.4523 -70.0537 -60.7037 -11.3971 142.007 -202.531 PRESSAVG: 2188600 7.24545 -26.1463 33.6399 -26.1462 10.9234 27.3377 33.6399 27.3377 17.136 GPRESSAVG: 2188600 7.35472 -27.9606 34.5018 -23.6806 10.7652 26.6042 32.474 29.5634 17.4343 TIMING: 2188600 CPU: 6838.99, 0.0030892/step Wall: 6838.99, 0.0030892/step, 2.41249 hours remaining, 234.500000 MB of memory in use. ENERGY: 2188600 4063.8924 20654.0810 14481.3304 234.7720 -202973.1066 2471.3641 0.0000 0.0000 52137.8134 -108929.8532 299.6367 -161067.6666 -108578.0202 299.1670 -201.0544 -176.2768 763036.5411 11.7683 11.8514 PRESSURE: 2188800 38.395 17.4946 131.219 17.4945 -475.788 -46.3225 131.219 -46.3234 -170.165 GPRESSURE: 2188800 7.13914 -1.16323 169.91 -48.6967 -446.63 -163.656 237.449 -13.9843 -96.9278 PRESSAVG: 2188800 78.5301 -19.1323 23.1354 -19.1323 -21.4394 -1.38533 23.1354 -1.38535 24.2848 GPRESSAVG: 2188800 78.0715 -16.3726 23.2857 -21.1164 -20.9029 -2.6229 23.8411 -1.75979 24.6072 TIMING: 2188800 CPU: 6839.6, 0.00308014/step Wall: 6839.6, 0.00308014/step, 2.40524 hours remaining, 234.500000 MB of memory in use. ENERGY: 2188800 3998.3176 20592.7075 14539.7665 254.7814 -203204.5476 2804.2710 0.0000 0.0000 51952.7247 -109061.9789 298.5730 -161014.7036 -108692.8967 299.6311 -202.5195 -178.8062 763349.0088 27.1252 27.2586 PRESSURE: 2189000 -76.0052 -66.7934 66.2908 -66.7935 -511.838 42.3282 66.2909 42.3282 -150.616 GPRESSURE: 2189000 -26.3716 6.86669 69.9867 -169.563 -498.09 -32.0842 51.2769 -6.78873 -144.973 PRESSAVG: 2189000 25.5478 11.3013 21.3668 11.3013 -50.5237 13.8159 21.3669 13.8159 0.126941 GPRESSAVG: 2189000 24.5911 12.1 21.3449 9.90847 -49.5498 15.9779 20.1195 13.1932 -0.13304 TIMING: 2189000 CPU: 6840.23, 0.00310632/step Wall: 6840.23, 0.00310632/step, 2.42551 hours remaining, 234.500000 MB of memory in use. ENERGY: 2189000 4012.6590 20676.1199 14475.1036 249.0583 -202960.6395 2500.6041 0.0000 0.0000 51985.5791 -109061.5153 298.7618 -161047.0944 -108696.6239 299.1672 -246.1530 -223.1448 764050.6087 -8.2830 -8.3639 PRESSURE: 2189200 -51.0548 -132.361 -103.862 -132.362 27.5019 11.9769 -103.862 11.9776 123.562 GPRESSURE: 2189200 -5.58638 -91.108 -34.0095 -202.937 54.8115 134.165 -87.2754 -141.976 129.55 PRESSAVG: 2189200 35.8508 -43.2089 30.654 -43.2089 -3.34463 49.6104 30.654 49.6105 5.77694 GPRESSAVG: 2189200 37.9532 -42.4129 31.1443 -41.6454 -4.25808 50.3499 29.8737 49.6087 4.80173 TIMING: 2189200 CPU: 6840.85, 0.00312881/step Wall: 6840.85, 0.00312881/step, 2.4429 hours remaining, 234.500000 MB of memory in use. ENERGY: 2189200 3977.3375 20526.3735 14499.4545 238.7774 -203400.4291 3069.0864 0.0000 0.0000 52109.2106 -108980.1893 299.4723 -161089.3998 -108618.6112 299.8499 33.3363 59.5916 764536.6710 12.7610 12.8323 PRESSURE: 2189400 -392.396 66.3658 -45.744 66.3658 -330.337 -177.314 -45.7434 -177.315 302.157 GPRESSURE: 2189400 -368.115 29.166 -22.4582 110.216 -227.245 -156.075 -98.5799 -217.894 254.01 PRESSAVG: 2189400 -18.8401 -29.1548 14.1217 -29.1548 20.6351 24.6884 14.1217 24.6884 24.5315 GPRESSAVG: 2189400 -21.3607 -31.3556 12.6879 -29.4261 21.899 24.6041 15.9824 24.596 25.5302 TIMING: 2189400 CPU: 6841.47, 0.00309751/step Wall: 6841.47, 0.00309751/step, 2.41829 hours remaining, 234.500000 MB of memory in use. ENERGY: 2189400 3961.5912 20486.2544 14460.4505 245.9874 -202901.3590 2453.5368 0.0000 0.0000 52084.5037 -109209.0351 299.3304 -161293.5387 -108845.7542 299.4041 -140.1921 -113.7833 764883.0868 8.7755 8.6895 PRESSURE: 2189600 -242.71 24.2655 -54.5463 24.2664 -199.877 122.676 -54.5463 122.677 -13.8533 GPRESSURE: 2189600 -187.088 80.6112 -142.449 -62.1133 -185.178 30.8747 -17.8065 141.498 -3.59453 PRESSAVG: 2189600 -36.8905 55.7478 6.17517 55.7478 10.4268 27.5115 6.17515 27.5114 33.9359 GPRESSAVG: 2189600 -34.8656 56.0777 6.37899 58.0738 8.66059 26.8036 5.52672 25.8768 33.8841 TIMING: 2189600 CPU: 6842.09, 0.00309183/step Wall: 6842.09, 0.00309183/step, 2.41369 hours remaining, 234.500000 MB of memory in use. ENERGY: 2189600 4037.4931 20450.3556 14535.2509 255.9734 -203042.8560 2641.8812 0.0000 0.0000 51892.2654 -109229.6364 298.2256 -161121.9018 -108873.5102 299.1646 -152.1468 -125.2871 764244.2038 2.4907 2.5597 PRESSURE: 2189800 -188.674 -98.121 90.3014 -98.1207 26.0704 34.9542 90.3013 34.9549 127.91 GPRESSURE: 2189800 -93.0834 -94.2739 27.0302 64.3065 98.4719 -43.1443 65.1137 57.9391 48.22 PRESSAVG: 2189800 8.05202 28.0063 -9.67756 28.0063 10.4691 17.354 -9.67757 17.354 9.27547 GPRESSAVG: 2189800 7.41667 27.1543 -8.66069 27.635 11.8212 17.1588 -10.6758 19.7668 8.67238 TIMING: 2189800 CPU: 6842.71, 0.00308571/step Wall: 6842.71, 0.00308571/step, 2.40874 hours remaining, 234.500000 MB of memory in use. ENERGY: 2189800 3883.1945 20626.3768 14492.6928 247.5614 -203495.8282 2957.9177 0.0000 0.0000 52053.4983 -109234.5867 299.1522 -161288.0850 -108863.4848 299.1583 -11.5647 17.8695 765148.9624 9.2655 9.3034 PRESSURE: 2190000 -40.9347 79.5739 248.768 79.5737 -217.132 -39.5089 248.767 -39.51 -146.224 GPRESSURE: 2190000 -19.8291 52.4149 227.561 26.5133 -159.308 -3.50491 249.512 -109.034 -129.68 PRESSAVG: 2190000 -27.4274 49.03 19.3174 49.03 49.7751 34.9985 19.3174 34.9986 -19.2326 GPRESSAVG: 2190000 -27.1256 48.7852 17.5215 47.1746 49.3095 34.8501 19.2699 33.6275 -19.1278 TIMING: 2190000 CPU: 6843.33, 0.0031173/step Wall: 6843.33, 0.0031173/step, 2.43323 hours remaining, 234.500000 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: 2190000 4048.1499 20653.8489 14469.1440 236.4835 -203576.9793 2851.2897 0.0000 0.0000 51911.3271 -109406.7362 298.3351 -161318.0633 -109045.6611 299.1948 -134.7637 -102.9390 763455.3671 1.0384 1.0187 PRESSURE: 2190200 -293.643 -159.151 -119.23 -159.151 -207.319 116.629 -119.23 116.63 99.688 GPRESSURE: 2190200 -314.816 -240.649 -2.61862 -181.911 -86.7909 141.523 -15.5763 -60.8311 53.2532 PRESSAVG: 2190200 43.7616 68.0078 -41.3953 68.0078 -46.4417 27.7236 -41.3953 27.7235 -2.81234 GPRESSAVG: 2190200 42.5472 69.307 -40.4381 66.2982 -45.3803 28.5987 -39.1485 27.5162 -3.18983 TIMING: 2190200 CPU: 6843.95, 0.00311325/step Wall: 6843.95, 0.00311325/step, 2.42989 hours remaining, 234.500000 MB of memory in use. ENERGY: 2190200 3933.8827 20666.1129 14511.1733 247.7476 -203340.3479 2867.5990 0.0000 0.0000 51837.9588 -109275.8738 297.9135 -161113.8326 -108914.8925 299.0686 -133.7581 -116.1178 763804.1306 -1.8308 -2.0076 PRESSURE: 2190400 277.924 -20.8216 -5.9935 -20.8219 133.391 -74.4758 -5.99416 -74.4758 -53.7899 GPRESSURE: 2190400 309.912 -124.271 2.99291 -115.733 225.85 -99.1566 -98.7966 -79.2976 -108.881 PRESSAVG: 2190400 44.4412 -18.7314 -15.6586 -18.7315 -53.8683 16.5659 -15.6586 16.566 -28.2594 GPRESSAVG: 2190400 45.3148 -20.0154 -16.4222 -15.8541 -55.4417 14.7866 -16.6472 15.8529 -27.5786 TIMING: 2190400 CPU: 6844.57, 0.00310233/step Wall: 6844.57, 0.00310233/step, 2.4212 hours remaining, 234.500000 MB of memory in use. ENERGY: 2190400 3926.6039 20348.9008 14501.3935 244.2611 -203335.9506 2979.7726 0.0000 0.0000 51729.1216 -109605.8970 297.2880 -161335.0187 -109250.0212 298.2616 119.1751 142.2934 763958.0602 -12.5622 -12.5685 PRESSURE: 2190600 -14.8544 -120.861 242.411 -120.861 11.3498 123.097 242.412 123.098 -95.6853 GPRESSURE: 2190600 32.6202 -147.199 194.307 39.3502 70.5443 186.21 187.276 89.3024 -122.598 PRESSAVG: 2190600 -14.0988 6.23545 -2.66556 6.23542 -21.9618 57.5525 -2.66554 57.5526 -16.8178 GPRESSAVG: 2190600 -14.2277 7.66528 -2.92019 3.76841 -21.8726 57.739 -0.370872 58.6494 -16.5303 TIMING: 2190600 CPU: 6845.19, 0.00310723/step Wall: 6845.19, 0.00310722/step, 2.42484 hours remaining, 234.500000 MB of memory in use. ENERGY: 2190600 3979.6170 20402.4399 14487.9980 264.8699 -203370.9550 2581.0526 0.0000 0.0000 51892.9172 -109762.0603 298.2293 -161654.9775 -109408.1873 297.8699 -33.0633 -6.4780 765008.0005 -17.6261 -17.5435 PRESSURE: 2190800 181.971 53.2991 -167.973 53.2996 112.16 -20.5902 -167.973 -20.59 148.414 GPRESSURE: 2190800 188.153 51.9926 -157.201 160.833 206.749 83.8748 -247.194 -194.706 136.228 PRESSAVG: 2190800 7.61133 -48.1677 3.4308 -48.1677 -20.1579 75.7189 3.43078 75.719 -18.948 GPRESSAVG: 2190800 8.2073 -50.0099 5.12014 -46.8571 -21.5112 76.5695 1.50987 76.0616 -18.2694 TIMING: 2190800 CPU: 6845.82, 0.00311387/step Wall: 6845.82, 0.00311387/step, 2.42986 hours remaining, 234.500000 MB of memory in use. ENERGY: 2190800 3946.7921 20389.9712 14449.4406 250.8623 -203910.7144 3060.8845 0.0000 0.0000 52163.7492 -109649.0144 299.7858 -161812.7637 -109286.6241 298.1575 147.5151 177.0435 764908.7911 -10.4982 -10.5245 PRESSURE: 2191000 66.5958 -59.1123 -14.3502 -59.1121 2.45281 3.40725 -14.3498 3.4082 -457.511 GPRESSURE: 2191000 80.2604 -15.6434 -63.1412 -3.31097 58.8011 -126.828 -47.2687 45.1649 -428.185 PRESSAVG: 2191000 33.4109 -19.4058 4.44193 -19.4058 -18.2592 -15.967 4.44192 -15.9671 2.27901 GPRESSAVG: 2191000 33.0707 -16.3555 4.60549 -21.0297 -16.4057 -17.5672 3.0947 -16.823 1.61213 TIMING: 2191000 CPU: 6846.44, 0.00310654/step Wall: 6846.44, 0.00310654/step, 2.42396 hours remaining, 234.500000 MB of memory in use. ENERGY: 2191000 3999.0451 20454.0348 14517.0370 237.1500 -203002.4880 2628.1083 0.0000 0.0000 51959.5011 -109207.6116 298.6120 -161167.1127 -108846.5205 298.7077 -129.4875 -96.3745 764065.5790 5.8102 6.0924 PRESSURE: 2191200 -49.2635 94.9225 -47.1654 94.9222 -439.287 32.4263 -47.1646 32.4262 66.9788 GPRESSURE: 2191200 -21.4171 126.121 -43.499 138.695 -318.383 38.9968 25.3507 -59.4267 3.91851 PRESSAVG: 2191200 26.0433 -7.64388 49.9638 -7.64391 4.08281 47.6199 49.9637 47.6199 6.46718 GPRESSAVG: 2191200 25.5493 -7.45291 50.8681 -6.79598 4.09748 49.0039 52.1548 46.5871 6.85959 TIMING: 2191200 CPU: 6847.06, 0.00310601/step Wall: 6847.06, 0.00310601/step, 2.42338 hours remaining, 234.500000 MB of memory in use. ENERGY: 2191200 4099.9109 20697.1518 14531.8605 237.5138 -203010.5272 2568.6023 0.0000 0.0000 51844.7366 -109030.7513 297.9524 -160875.4879 -108663.5364 299.3551 -140.5237 -111.9606 764939.9585 12.1978 12.1688 PRESSURE: 2191400 333.084 -94.1155 127.75 -94.1156 -322.475 246.527 127.75 246.527 425.339 GPRESSURE: 2191400 299.107 -14.7596 103.786 -76.0779 -230.792 136.48 108.958 192.111 435.037 PRESSAVG: 2191400 34.3362 -2.32631 17.0213 -2.32635 -57.8355 -8.7082 17.0213 -8.70826 15.7542 GPRESSAVG: 2191400 35.655 -4.0445 18.148 -0.898529 -59.28 -8.96297 15.8862 -6.25843 16.2229 TIMING: 2191400 CPU: 6847.68, 0.00309751/step Wall: 6847.68, 0.00309751/step, 2.41658 hours remaining, 234.500000 MB of memory in use. ENERGY: 2191400 3999.7994 20651.2356 14531.6995 239.9665 -203068.2835 2501.3554 0.0000 0.0000 52075.8524 -109068.3747 299.2806 -161144.2271 -108711.3295 299.0572 145.3158 167.7841 764594.9294 -2.5817 -2.4673 PRESSURE: 2191600 -321.748 -135.763 -151.228 -135.763 -399.8 -176.221 -151.229 -176.221 -50.1223 GPRESSURE: 2191600 -261.867 -217.099 -245.781 -112.372 -315.27 -230.575 41.7954 -204.624 -125.44 PRESSAVG: 2191600 37.0602 -29.6662 -0.981384 -29.6662 -33.6443 27.8475 -0.981403 27.8475 3.36445 GPRESSAVG: 2191600 37.4541 -30.7947 -2.18817 -29.4336 -32.8213 26.5883 -0.106298 26.5596 2.45943 TIMING: 2191600 CPU: 6848.3, 0.00309788/step Wall: 6848.3, 0.00309788/step, 2.41669 hours remaining, 234.500000 MB of memory in use. ENERGY: 2191600 4053.2612 20672.2150 14546.5998 268.4855 -203487.0130 2754.2967 0.0000 0.0000 51992.4101 -109199.7447 298.8011 -161192.1548 -108835.0157 299.6328 -257.2234 -234.1924 764590.6403 2.2601 2.3641 PRESSURE: 2191800 -47.0458 3.46645 114.812 3.46648 188.46 -91.7262 114.812 -91.7258 -93.9699 GPRESSURE: 2191800 79.3518 -32.5381 91.8437 40.5045 61.6848 -124.316 112.45 -72.1142 -37.1633 PRESSAVG: 2191800 94.8718 34.8867 0.985466 34.8867 -43.918 -8.25525 0.985478 -8.25514 -1.87344 GPRESSAVG: 2191800 95.4285 35.0408 -0.373545 34.3561 -44.7237 -7.99978 1.62497 -6.87105 -1.54361 TIMING: 2191800 CPU: 6848.92, 0.00309786/step Wall: 6848.92, 0.00309786/step, 2.41651 hours remaining, 234.500000 MB of memory in use. ENERGY: 2191800 3987.3042 20576.3481 14511.7754 256.8843 -203553.8636 2937.0116 0.0000 0.0000 52215.5995 -109068.9404 300.0838 -161284.5398 -108715.6347 299.3857 15.8148 34.6244 762796.7463 16.3601 16.3871 PRESSURE: 2192000 77.5873 39.0719 155.714 39.0721 135.024 26.0927 155.713 26.0941 21.2957 GPRESSURE: 2192000 92.9404 31.0176 120.129 -6.39938 220.94 33.3235 200.464 -63.3621 38.8102 PRESSAVG: 2192000 33.9855 3.12214 -11.2388 3.12219 -25.5923 -15.7338 -11.2389 -15.7338 28.9569 GPRESSAVG: 2192000 34.2334 4.17945 -10.1219 3.68269 -26.1005 -17.4832 -13.3729 -15.1057 29.4074 TIMING: 2192000 CPU: 6849.54, 0.00309463/step Wall: 6849.54, 0.00309463/step, 2.41381 hours remaining, 234.500000 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: 2192000 4062.6769 20492.7840 14530.0723 245.3533 -203197.2429 2879.6482 0.0000 0.0000 52082.0189 -108904.6893 299.3161 -160986.7082 -108560.2356 299.3280 77.9690 117.5634 762902.4944 12.4501 12.5134 PRESSURE: 2192200 -20.211 -44.4154 -78.9556 -44.4152 -324.592 44.9138 -78.9561 44.9143 -146.151 GPRESSURE: 2192200 -14.1197 -91.5269 -51.7669 24.1362 -242.482 68.5556 -6.66471 -75.3789 -147.088 PRESSAVG: 2192200 -41.5561 -29.7095 35.937 -29.7095 63.0754 -27.4657 35.937 -27.4657 -22.3124 GPRESSAVG: 2192200 -42.1053 -31.0046 36.2267 -30.1482 63.0768 -25.3217 36.3106 -29.7408 -21.5059 TIMING: 2192200 CPU: 6850.15, 0.00308285/step Wall: 6850.15, 0.00308285/step, 2.40445 hours remaining, 234.500000 MB of memory in use. ENERGY: 2192200 4027.8824 20385.8372 14358.4609 265.6538 -203012.7543 2843.6947 0.0000 0.0000 52150.7141 -108980.5111 299.7109 -161131.2253 -108613.2499 300.0140 -163.6515 -134.5632 762211.8738 -0.2644 -0.1781 LDB: ============= START OF LOAD BALANCING ============== 6862.63 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6862.63 LDB: =============== DONE WITH MIGRATION ================ 6862.63 LDB: ============= START OF LOAD BALANCING ============== 6862.94 LDB: Largest compute 7078 load 0.031395 is 16.1% of average load 0.195033 LDB: Average compute 0.004394 is 2.3% of average load 0.195033 LDB: TIME 6862.95 LOAD: AVG 0.195033 MAX 0.219931 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.082 MB LDB: TIME 6862.95 LOAD: AVG 0.195033 MAX 0.219931 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.082 MB LDB: TIME 6862.95 LOAD: AVG 0.195033 MAX 0.217046 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.082 MB LDB: ============== END OF LOAD BALANCING =============== 6862.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6862.95 PRESSURE: 2192400 68.1079 132.993 147.775 132.992 -36.7563 11.1242 147.775 11.1231 741.674 GPRESSURE: 2192400 143.826 135.019 132.301 184.348 -31.119 110.422 122.365 -62.7475 740.114 PRESSAVG: 2192400 16.8009 -62.5992 -37.1711 -62.5992 -17.7334 -56.5043 -37.1711 -56.5043 -43.6773 GPRESSAVG: 2192400 15.7807 -58.7535 -38.0748 -63.9338 -15.3405 -55.9814 -37.7598 -53.8342 -44.9105 TIMING: 2192400 CPU: 6850.79, 0.00316773/step Wall: 6850.79, 0.00316773/step, 2.47048 hours remaining, 235.023438 MB of memory in use. ENERGY: 2192400 3929.5922 20445.3050 14505.6431 232.5053 -203200.8883 2853.8695 0.0000 0.0000 52081.2974 -109152.6758 299.3119 -161233.9732 -108792.1536 299.5817 257.6753 284.2737 762843.4542 -14.8699 -14.8234 PRESSURE: 2192600 122.41 -367.814 61.4757 -367.813 32.274 -139.596 61.4759 -139.597 -52.6551 GPRESSURE: 2192600 181.485 -192.177 75.865 -294.722 124.016 -159 57.1408 -256.377 -134.673 PRESSAVG: 2192600 21.9675 -3.82734 1.26795 -3.82729 -0.796781 6.08223 1.26789 6.08223 10.0797 GPRESSAVG: 2192600 22.496 -8.00871 -0.189915 -2.23718 -0.996307 4.08709 0.980158 5.05448 10.3808 TIMING: 2192600 CPU: 6851.41, 0.0030958/step Wall: 6851.41, 0.0030958/step, 2.41421 hours remaining, 235.226562 MB of memory in use. ENERGY: 2192600 3994.1363 20581.3428 14507.1232 242.3426 -203629.7342 3064.3480 0.0000 0.0000 52116.0210 -109124.4204 299.5115 -161240.4414 -108762.1681 299.5188 34.0098 56.9426 761368.1465 10.4168 10.6268 PRESSURE: 2192800 -79.2716 254.178 41.9637 254.178 36.279 159.02 41.9622 159.019 -226.444 GPRESSURE: 2192800 -38.4736 38.3119 27.0781 179.564 10.2729 175.372 2.86841 80.9358 -162.83 PRESSAVG: 2192800 -28.224 28.7737 19.2964 28.7737 17.7603 -26.2203 19.2964 -26.2204 6.55063 GPRESSAVG: 2192800 -26.9538 28.8528 21.5346 28.1169 16.5634 -26.8922 20.2193 -25.7226 5.95849 TIMING: 2192800 CPU: 6852.02, 0.00308031/step Wall: 6852.02, 0.00308031/step, 2.40195 hours remaining, 235.226562 MB of memory in use. ENERGY: 2192800 4049.8493 20259.7752 14544.0134 256.1938 -203445.4912 2980.3359 0.0000 0.0000 52235.3082 -109120.0154 300.1970 -161355.3236 -108754.2885 299.5742 -89.8124 -63.6769 762712.2434 -1.3044 -1.4773 PRESSURE: 2193000 -79.0217 -148.645 32.7969 -148.646 -74.5812 141.907 32.7963 141.907 354.609 GPRESSURE: 2193000 -76.8021 -164.225 115.22 -74.3923 9.00212 3.32409 91.0013 152.005 344.246 PRESSAVG: 2193000 -18.0144 26.6278 34.6738 26.6278 14.7614 63.26 34.6738 63.2601 -2.25521 GPRESSAVG: 2193000 -18.6605 29.1714 33.4014 28.0536 15.1325 63.6009 35.0123 63.3244 -2.02221 TIMING: 2193000 CPU: 6852.64, 0.00308824/step Wall: 6852.64, 0.00308824/step, 2.40797 hours remaining, 235.226562 MB of memory in use. ENERGY: 2193000 4007.3286 20544.1513 14493.0564 228.5527 -202727.7382 2631.5561 0.0000 0.0000 51819.7168 -109003.3762 297.8086 -160823.0930 -108643.3360 299.2509 67.0020 92.1487 761665.3810 -1.8360 -1.8501 PRESSURE: 2193200 155.387 105.927 -205.275 105.928 -68.0043 11.4478 -205.275 11.4471 289.272 GPRESSURE: 2193200 200.284 227.775 -176.436 44.8081 -57.2641 48.1272 -119.699 -0.604213 313.024 PRESSAVG: 2193200 -1.80062 -32.0837 14.1222 -32.0837 36.7225 22.4861 14.1222 22.486 -4.89107 GPRESSAVG: 2193200 -0.539328 -32.004 13.9142 -32.482 35.7052 24.3536 15.0424 21.6926 -5.13172 TIMING: 2193200 CPU: 6853.26, 0.00308894/step Wall: 6853.26, 0.00308894/step, 2.40834 hours remaining, 235.226562 MB of memory in use. ENERGY: 2193200 4059.8210 20580.3093 14540.8336 246.9813 -203180.4846 2751.6545 0.0000 0.0000 51983.7884 -109017.0964 298.7515 -161000.8848 -108652.9958 299.1876 125.5515 152.0146 760485.4490 10.0103 10.0114 PRESSURE: 2193400 80.7028 -60.3005 77.13 -60.3004 7.43873 -38.3625 77.1304 -38.3617 210.354 GPRESSURE: 2193400 57.0145 8.46898 -62.5553 -156.973 90.7296 -26.9022 101.885 -63.1345 245.987 PRESSAVG: 2193400 30.9654 12.3008 24.6679 12.3008 -14.0231 3.24876 24.6679 3.24868 13.2664 GPRESSAVG: 2193400 28.7525 11.0262 23.5117 12.6671 -13.0971 2.40851 23.2536 4.93917 14.6811 TIMING: 2193400 CPU: 6853.88, 0.00312346/step Wall: 6853.88, 0.00312346/step, 2.43509 hours remaining, 235.226562 MB of memory in use. ENERGY: 2193400 3956.3991 20455.8179 14523.7429 250.3454 -202685.9553 2575.6376 0.0000 0.0000 51691.9534 -109232.0591 297.0744 -160924.0125 -108870.4223 298.9396 99.4985 131.2438 761065.7840 10.0696 10.1122 PRESSURE: 2193600 149.324 255.103 31.4528 255.102 227.731 -96.2188 31.4531 -96.2206 0.200746 GPRESSURE: 2193600 206.102 135.872 81.4941 118.989 155.418 -137.361 45.1989 -71.5007 82.7995 PRESSAVG: 2193600 -30.9247 5.28983 -30.139 5.28986 25.0999 18.3599 -30.1389 18.3599 -1.71938 GPRESSAVG: 2193600 -30.2438 3.13688 -28.509 6.33549 22.6882 17.8337 -30.2089 18.2928 -0.434012 TIMING: 2193600 CPU: 6854.5, 0.00310735/step Wall: 6854.5, 0.00310735/step, 2.42235 hours remaining, 235.226562 MB of memory in use. ENERGY: 2193600 3955.0964 20477.7917 14454.1863 257.1766 -203021.8948 2606.7396 0.0000 0.0000 52184.1693 -109086.7348 299.9031 -161270.9042 -108721.7141 298.7227 125.7521 148.1065 761970.2914 -2.5147 -2.6632 PRESSURE: 2193800 83.0818 235.14 -72.6583 235.14 140.109 -252.587 -72.6579 -252.586 -250.646 GPRESSURE: 2193800 129.864 140.283 -31.361 269.699 89.1017 -167.855 -82.9334 -135.65 -174.244 PRESSAVG: 2193800 -1.13164 -10.0261 21.0046 -10.0261 -9.30248 -0.497371 21.0046 -0.497354 11.5374 GPRESSAVG: 2193800 -0.869143 -8.83023 20.295 -11.515 -8.12787 1.57556 20.1864 -2.08491 9.58653 TIMING: 2193800 CPU: 6855.12, 0.00309834/step Wall: 6855.12, 0.00309834/step, 2.41516 hours remaining, 235.226562 MB of memory in use. ENERGY: 2193800 3959.1840 20503.8535 14386.7871 240.7413 -203147.2876 2697.1103 0.0000 0.0000 51939.7005 -109419.9109 298.4982 -161359.6113 -109060.3575 298.6635 -9.1518 14.9072 761261.1714 0.3677 0.1965 PRESSURE: 2194000 110.409 -67.4087 411.516 -67.4083 275.179 99.9829 411.516 99.9828 51.4243 GPRESSURE: 2194000 121.879 -12.1699 427.034 -13.1965 357.726 -1.19039 314.218 208.148 41.469 PRESSAVG: 2194000 11.5042 8.64666 24.7344 8.6467 -40.7238 -5.79095 24.7345 -5.79094 -22.4213 GPRESSAVG: 2194000 11.781 8.23898 25.2557 9.67756 -40.2954 -6.34531 24.0942 -4.51167 -22.5782 TIMING: 2194000 CPU: 6855.74, 0.0030943/step Wall: 6855.74, 0.0030943/step, 2.41184 hours remaining, 235.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2194000 4045.7051 20578.0586 14471.4126 248.8326 -203167.8572 2647.9882 0.0000 0.0000 51896.4917 -109279.3683 298.2499 -161175.8600 -108914.1853 298.4124 145.6707 173.6914 761976.4112 -17.2136 -17.0309 PRESSURE: 2194200 171.896 4.54638 59.397 4.54744 74.775 38.0167 59.3964 38.0165 -46.9564 GPRESSURE: 2194200 218.366 70.1247 52.2616 -60.7393 102.35 102.664 92.0818 15.5137 -28.0823 PRESSAVG: 2194200 23.0498 5.05061 51.8847 5.0506 -17.8762 30.1599 51.8845 30.1599 28.1716 GPRESSAVG: 2194200 23.1771 6.78789 51.2763 4.53728 -18.0277 29.5118 53.1041 29.0817 28.6698 TIMING: 2194200 CPU: 6856.36, 0.00308175/step Wall: 6856.36, 0.00308174/step, 2.40188 hours remaining, 235.226562 MB of memory in use. ENERGY: 2194200 4036.0928 20544.6151 14434.8574 244.5020 -203170.1172 2740.5795 0.0000 0.0000 52113.1589 -109056.3116 299.4950 -161169.4705 -108694.1093 299.2607 66.5714 97.5446 761702.5868 11.1151 11.2731 PRESSURE: 2194400 270.319 -33.0499 138.695 -33.0496 60.8756 94.0544 138.695 94.0559 -25.9924 GPRESSURE: 2194400 242.819 -143.213 206.459 -28.5972 129.686 66.3521 81.8481 141.968 33.805 PRESSAVG: 2194400 5.24496 16.024 54.2782 16.024 -23.8912 -38.9082 54.2782 -38.9082 13.6046 GPRESSAVG: 2194400 3.24206 14.912 55.155 14.7318 -22.1865 -39.1064 56.0186 -38.6195 14.348 TIMING: 2194400 CPU: 6856.98, 0.00310136/step Wall: 6856.98, 0.00310136/step, 2.41699 hours remaining, 235.226562 MB of memory in use. ENERGY: 2194400 3970.3034 20526.7291 14502.7322 265.1478 -202973.4548 2714.0747 0.0000 0.0000 52091.0805 -108903.3871 299.3682 -160994.4676 -108528.0335 299.5697 101.7340 135.4367 763693.0122 -1.6805 -1.5321 PRESSURE: 2194600 -399.852 37.748 12.7669 37.748 -107.661 -233.227 12.7663 -233.226 53.3145 GPRESSURE: 2194600 -280.431 38.7605 33.0898 -14.0981 -176.148 -110.904 -86.8955 -233.681 84.3493 PRESSAVG: 2194600 12.08 10.6117 -5.12825 10.6118 2.63826 52.9117 -5.12835 52.9117 15.8442 GPRESSAVG: 2194600 12.705 10.8498 -4.8313 12.6878 2.7207 53.5418 -6.3301 52.8282 14.8869 TIMING: 2194600 CPU: 6857.6, 0.00310368/step Wall: 6857.6, 0.00310368/step, 2.41863 hours remaining, 235.226562 MB of memory in use. ENERGY: 2194600 4020.4929 20486.6224 14491.8879 245.9261 -203049.8053 2636.7113 0.0000 0.0000 52062.9284 -109105.2362 299.2064 -161168.1646 -108729.7272 299.4256 -151.3995 -124.0764 764419.6267 10.1875 10.1042 PRESSURE: 2194800 -389.42 108.787 -41.7198 108.787 -197.085 195.256 -41.7197 195.256 -177.089 GPRESSURE: 2194800 -298.492 78.8033 -38.3612 39.0015 -224.72 199.596 -90.4079 114.226 -163.312 PRESSAVG: 2194800 -8.24278 1.46728 23.158 1.46728 42.5994 -15.1455 23.158 -15.1455 -14.6857 GPRESSAVG: 2194800 -6.79589 1.72948 22.1718 1.20823 41.3283 -14.8287 23.0199 -16.4953 -14.8438 TIMING: 2194800 CPU: 6858.22, 0.00311053/step Wall: 6858.22, 0.00311053/step, 2.42379 hours remaining, 235.226562 MB of memory in use. ENERGY: 2194800 4082.3212 20575.4226 14433.8561 223.8222 -203098.9585 2596.0915 0.0000 0.0000 52018.5886 -109168.8562 298.9515 -161187.4449 -108802.5636 299.2109 -254.5312 -228.8413 763299.9885 6.5570 6.5629 PRESSURE: 2195000 -144.874 -116.362 186.819 -116.363 -359.28 137.656 186.82 137.657 -121.355 GPRESSURE: 2195000 -12.8823 -205.226 150.463 -246.53 -379.516 130.595 221.843 124.62 -160.512 PRESSAVG: 2195000 -42.6621 2.96147 31.1374 2.96143 44.3728 -7.11162 31.1374 -7.11159 -9.48137 GPRESSAVG: 2195000 -42.7549 4.06564 30.9496 2.28711 43.7005 -7.18087 30.5565 -7.47379 -9.11056 TIMING: 2195000 CPU: 6858.84, 0.003097/step Wall: 6858.84, 0.003097/step, 2.41308 hours remaining, 235.226562 MB of memory in use. ENERGY: 2195000 4101.7841 20548.8324 14432.3031 252.0805 -203114.6714 2675.5061 0.0000 0.0000 51935.1652 -109169.0001 298.4721 -161104.1653 -108819.4718 299.3575 -208.5030 -184.3034 762816.9076 -2.5902 -2.7216 PRESSURE: 2195200 -339.57 -12.5306 -78.4623 -12.5307 75.6982 97.8905 -78.4617 97.8912 -129.79 GPRESSURE: 2195200 -300.4 -19.8838 -34.2046 -67.5888 45.5008 96.0406 -204.566 139.979 -33.2306 PRESSAVG: 2195200 -25.3178 -11.1605 50.0292 -11.1605 15.9341 7.75362 50.0292 7.75354 15.5742 GPRESSAVG: 2195200 -26.0511 -12.3099 50.7332 -12.5145 17.6408 6.93202 50.2493 9.74213 14.619 TIMING: 2195200 CPU: 6859.46, 0.0030892/step Wall: 6859.46, 0.0030892/step, 2.40683 hours remaining, 235.226562 MB of memory in use. ENERGY: 2195200 3978.8345 20481.9605 14518.7637 269.2502 -203269.7758 2769.2591 0.0000 0.0000 51990.4357 -109261.2721 298.7897 -161251.7078 -108888.4608 299.4298 -131.2206 -96.0432 761766.4363 2.0635 2.0696 PRESSURE: 2195400 107.605 -265.231 16.2385 -265.231 -22.0592 10.4766 16.2384 10.4772 327.448 GPRESSURE: 2195400 170.452 -182.743 37.5562 -163.046 9.21892 -1.29063 -20.921 -9.11272 330.48 PRESSAVG: 2195400 9.62149 -28.0425 -33.3126 -28.0426 7.47162 64.8277 -33.3126 64.8277 17.9276 GPRESSAVG: 2195400 10.7741 -27.233 -34.3139 -25.3113 6.22785 65.0303 -32.7745 62.0675 18.9209 TIMING: 2195400 CPU: 6860.08, 0.0031036/step Wall: 6860.08, 0.0031036/step, 2.41788 hours remaining, 235.226562 MB of memory in use. ENERGY: 2195400 4002.9716 20587.2729 14348.0172 212.8447 -203337.1399 2950.7968 0.0000 0.0000 52024.2798 -109210.9568 298.9843 -161235.2367 -108847.1213 299.0909 137.6646 170.0501 762342.7917 11.6736 11.9743 PRESSURE: 2195600 -121.224 85.3426 -87.7353 85.3425 14.6144 -327.7 -87.7358 -327.7 -53.3543 GPRESSURE: 2195600 -149.209 3.59073 -129.185 203.213 136.451 -200.055 -99.7391 -291.338 -52.3316 PRESSAVG: 2195600 -14.6121 -20.5943 -22.6716 -20.5943 -37.6367 0.0841388 -22.6716 0.0841266 0.436623 GPRESSAVG: 2195600 -15.0751 -20.6061 -22.4203 -21.3531 -37.2405 1.88758 -23.4596 0.661689 0.547245 TIMING: 2195600 CPU: 6860.7, 0.0031021/step Wall: 6860.7, 0.0031021/step, 2.41653 hours remaining, 235.226562 MB of memory in use. ENERGY: 2195600 4028.6776 20643.6939 14425.5841 258.4431 -203013.5286 2689.2847 0.0000 0.0000 51909.1223 -109058.7229 298.3224 -160967.8452 -108692.7632 299.0568 -53.3213 -21.6965 761492.6872 -17.2707 -17.2561 PRESSURE: 2195800 134.067 -87.8779 62.2807 -87.8779 -157.578 148.162 62.2803 148.163 -174.57 GPRESSURE: 2195800 90.9691 -138.823 41.7814 -34.7076 -71.2775 153.5 125.794 156.074 -118.16 PRESSAVG: 2195800 0.0733643 25.2442 -45.2141 25.2442 -35.9541 -28.2904 -45.2141 -28.2904 3.82049 GPRESSAVG: 2195800 -0.453782 25.7806 -46.3104 24.9972 -34.3441 -29.0006 -43.4285 -25.6574 3.22241 TIMING: 2195800 CPU: 6861.32, 0.00309831/step Wall: 6861.32, 0.00309831/step, 2.41341 hours remaining, 235.226562 MB of memory in use. ENERGY: 2195800 4054.7372 20608.6035 14523.4495 238.5797 -203477.2776 2996.0609 0.0000 0.0000 52190.8326 -108865.0142 299.9414 -161055.8468 -108499.5881 299.5705 -66.0271 -32.8228 761904.8616 -10.6867 -10.5251 PRESSURE: 2196000 -93.5952 -118.443 -82.1037 -118.444 -225.853 -185.352 -82.1035 -185.353 63.3586 GPRESSURE: 2196000 -26.5941 -152.825 -97.3391 -61.3048 -228.842 -213.342 -98.7513 -166.729 85.8438 PRESSAVG: 2196000 -17.617 -19.7195 -30.6069 -19.7194 2.70674 -23.965 -30.6069 -23.9651 -11.8152 GPRESSAVG: 2196000 -16.7298 -19.5326 -29.5484 -20.1129 1.76234 -23.4438 -30.9406 -27.6994 -11.5665 TIMING: 2196000 CPU: 6861.94, 0.00311019/step Wall: 6861.94, 0.00311019/step, 2.4225 hours remaining, 235.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2196000 3992.0844 20564.3156 14473.0833 238.0104 -203002.3724 2667.3967 0.0000 0.0000 52292.4745 -108775.0073 300.5256 -161067.4818 -108404.1981 300.1978 -85.3633 -56.5308 763638.1492 -8.9085 -8.8446 PRESSURE: 2196200 -174.834 -189.589 -148.225 -189.589 -202.866 282.075 -148.225 282.075 -362.035 GPRESSURE: 2196200 -80.6596 -61.5212 -165.299 -156.259 -240.615 279.007 -113.299 276.881 -327.574 PRESSAVG: 2196200 31.2003 -20.9334 44.4543 -20.9334 -47.4259 -20.8207 44.4544 -20.8207 -22.7379 GPRESSAVG: 2196200 32.0245 -22.3793 44.9813 -20.3577 -48.2719 -22.8998 42.7706 -18.5845 -22.7456 TIMING: 2196200 CPU: 6862.56, 0.00310446/step Wall: 6862.56, 0.00310446/step, 2.41785 hours remaining, 235.226562 MB of memory in use. ENERGY: 2196200 4033.8121 20810.1375 14514.0482 258.7811 -203386.0344 2755.7987 0.0000 0.0000 52266.1452 -108747.3115 300.3743 -161013.4567 -108387.5087 300.2229 -246.5783 -216.2832 762791.2865 -12.9878 -12.9976 LDB: ============= START OF LOAD BALANCING ============== 6875.04 LDB: ============== END OF LOAD BALANCING =============== 6875.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6875.04 LDB: ============= START OF LOAD BALANCING ============== 6875.35 LDB: Largest compute 7078 load 0.030078 is 15.4% of average load 0.195032 LDB: Average compute 0.004416 is 2.3% of average load 0.195032 LDB: TIME 6875.35 LOAD: AVG 0.195032 MAX 0.22085 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.332 MB LDB: TIME 6875.35 LOAD: AVG 0.195032 MAX 0.22085 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.535 MB LDB: TIME 6875.35 LOAD: AVG 0.195032 MAX 0.215694 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.535 MB LDB: ============== END OF LOAD BALANCING =============== 6875.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6875.36 PRESSURE: 2196400 44.3587 188.82 54.4503 188.82 302.919 -148.528 54.4484 -148.527 334.819 GPRESSURE: 2196400 45.4374 137.446 122.406 127.949 283.166 -183.057 233.239 -286.09 435.93 PRESSAVG: 2196400 -4.76614 -79.7912 3.33326 -79.7912 63.1291 21.6654 3.33318 21.6654 -5.91298 GPRESSAVG: 2196400 -4.99441 -77.9911 4.71078 -81.0956 62.5169 22.8402 5.47652 20.9658 -4.9076 TIMING: 2196400 CPU: 6863.2, 0.00316442/step Wall: 6863.2, 0.00316442/step, 2.46438 hours remaining, 235.339844 MB of memory in use. ENERGY: 2196400 3984.5398 20642.9143 14523.1396 250.2278 -203171.3788 2832.8182 0.0000 0.0000 51976.0370 -108961.7021 298.7070 -160937.7391 -108596.1748 299.8630 227.3655 254.8444 762475.0156 17.4833 17.5383 PRESSURE: 2196600 281.265 -144.803 228.879 -144.804 -169.718 -199.109 228.88 -199.109 94.0342 GPRESSURE: 2196600 237.712 -54.2933 201.503 -94.7478 -42.4537 -151.968 173.034 -271.672 82.3495 PRESSAVG: 2196600 39.8764 -46.8923 65.9711 -46.8923 -23.7861 17.383 65.9711 17.3831 6.17428 GPRESSAVG: 2196600 39.9056 -47.7437 63.9161 -44.9583 -22.0587 16.6585 65.4574 17.7668 4.93265 TIMING: 2196600 CPU: 6863.82, 0.0031101/step Wall: 6863.82, 0.0031101/step, 2.4219 hours remaining, 235.339844 MB of memory in use. ENERGY: 2196600 3979.1340 20656.8526 14548.6026 247.8755 -203071.9188 2669.3028 0.0000 0.0000 52322.2310 -108647.9203 300.6966 -160970.1513 -108280.7029 299.8899 68.5269 92.5358 762934.0773 7.4215 7.5932 PRESSURE: 2196800 -430.335 -166.296 91.9278 -166.297 315.693 -107.589 91.9283 -107.59 -447.416 GPRESSURE: 2196800 -292.938 -209.806 139.726 -167.693 244.711 -153.531 85.9173 57.9553 -443.864 PRESSAVG: 2196800 6.12202 -71.8376 17.993 -71.8376 -30.5474 8.21884 17.993 8.21881 -0.733682 GPRESSAVG: 2196800 7.43267 -72.6278 19.7944 -72.7239 -31.6565 6.80439 17.2916 13.3099 -0.253823 TIMING: 2196800 CPU: 6864.45, 0.00316366/step Wall: 6864.45, 0.00316366/step, 2.46344 hours remaining, 235.339844 MB of memory in use. ENERGY: 2196800 4130.0706 20544.4500 14593.8970 232.1333 -203421.9933 2864.6298 0.0000 0.0000 52512.7597 -108544.0529 301.7916 -161056.8126 -108186.1179 300.3330 -187.3529 -164.0303 763822.0188 -8.3864 -8.1592 PRESSURE: 2197000 -117.761 -235.591 -9.54567 -235.592 -49.5913 -279.87 -9.54566 -279.87 32.7801 GPRESSURE: 2197000 -86.5855 -134.456 -19.1891 -138.076 14.3406 -232.217 -66.2825 -261.508 26.9021 PRESSAVG: 2197000 18.3334 -40.8425 32.5972 -40.8425 -32.5137 18.3593 32.5972 18.3593 8.29268 GPRESSAVG: 2197000 16.5655 -38.935 31.1036 -39.1559 -31.2618 22.4267 33.8029 13.0766 9.22326 TIMING: 2197000 CPU: 6865.08, 0.00314346/step Wall: 6865.08, 0.00314346/step, 2.44753 hours remaining, 235.339844 MB of memory in use. ENERGY: 2197000 4016.9445 20678.1187 14498.4895 252.3087 -202993.2645 2808.5011 0.0000 0.0000 52360.7076 -108378.1944 300.9177 -160738.9020 -108008.3901 300.5705 -44.8572 -15.1143 763681.3306 -1.9625 -1.8244 PRESSURE: 2197200 24.4632 -64.3381 -131.986 -64.3369 128.089 -91.6724 -131.985 -91.6724 78.2596 GPRESSURE: 2197200 -20.8041 -24.5368 -131.82 -140.444 149.498 -79.7304 -37.8973 -42.7731 160.055 PRESSAVG: 2197200 8.92334 10.8826 27.9778 10.8826 49.4022 -37.0648 27.9778 -37.0647 -16.2512 GPRESSAVG: 2197200 9.6176 10.1643 27.1186 10.7014 49.2775 -38.6305 27.4567 -36.7316 -17.5197 TIMING: 2197200 CPU: 6865.71, 0.00313183/step Wall: 6865.71, 0.00313183/step, 2.4383 hours remaining, 235.339844 MB of memory in use. ENERGY: 2197200 4016.1445 20576.5260 14519.8513 252.5245 -202731.5820 2642.0836 0.0000 0.0000 52240.7841 -108483.6679 300.2285 -160724.4520 -108117.8874 300.6814 76.9375 96.2498 765389.7492 14.0248 13.7918 PRESSURE: 2197400 154.614 -69.3569 125.071 -69.357 -268.095 -79.8093 125.071 -79.809 86.8152 GPRESSURE: 2197400 128.521 -86.8214 129.863 -24.4779 -88.7081 -20.4922 226.887 -72.3446 23.2109 PRESSAVG: 2197400 5.84692 -6.62186 22.0183 -6.62189 23.2049 -22.243 22.0183 -22.243 2.84502 GPRESSAVG: 2197400 4.85913 -8.18586 22.1874 -7.02943 24.1362 -22.2825 22.8344 -22.2373 3.7693 TIMING: 2197400 CPU: 6866.33, 0.00311726/step Wall: 6866.33, 0.00311726/step, 2.42679 hours remaining, 235.339844 MB of memory in use. ENERGY: 2197400 3979.6822 20466.5024 14527.7328 272.1030 -202972.7522 2725.6822 0.0000 0.0000 52322.6853 -108678.3643 300.6992 -161001.0496 -108310.8134 300.4716 -8.8886 21.0079 763867.1449 10.6323 10.9216 PRESSURE: 2197600 -71.9844 -43.1646 223.112 -43.165 -156.855 -106.367 223.112 -106.366 -106.192 GPRESSURE: 2197600 -48.9878 -28.6272 178.797 -44.7323 -35.5752 -163.082 67.6089 -121.829 -148.55 PRESSAVG: 2197600 -46.1919 -45.4672 67.057 -45.4672 -45.5178 0.454671 67.057 0.454706 -17.8387 GPRESSAVG: 2197600 -44.8387 -44.0049 67.6581 -45.8532 -45.5696 0.0426886 66.9577 2.0408 -19.3412 TIMING: 2197600 CPU: 6866.95, 0.00311413/step Wall: 6866.95, 0.00311413/step, 2.42417 hours remaining, 235.339844 MB of memory in use. ENERGY: 2197600 4138.0299 20551.0153 14533.8307 251.5983 -203188.6783 2586.1215 0.0000 0.0000 52571.2542 -108556.8285 302.1277 -161128.0827 -108198.0724 300.0599 -111.6769 -77.7043 762820.6558 -36.5161 -36.5832 PRESSURE: 2197800 263.067 3.40663 -66.5548 3.40641 314.807 -31.5102 -66.5539 -31.5096 15.9791 GPRESSURE: 2197800 384.651 40.108 42.0312 -49.4451 295.016 -27.225 -60.2868 -43.6595 0.4005 PRESSAVG: 2197800 16.3197 -59.686 4.87684 -59.6859 0.178179 16.4415 4.87684 16.4415 -15.9328 GPRESSAVG: 2197800 16.0304 -60.1004 5.21779 -58.7746 -0.94288 15.7361 4.88718 16.7699 -14.1193 TIMING: 2197800 CPU: 6867.57, 0.00311248/step Wall: 6867.57, 0.00311248/step, 2.42272 hours remaining, 235.339844 MB of memory in use. ENERGY: 2197800 3976.3819 20637.7407 14516.7060 252.1680 -203179.2749 2818.7949 0.0000 0.0000 52393.9856 -108583.4979 301.1090 -160977.4835 -108221.3583 300.6482 197.9508 226.6892 764118.9592 0.1883 0.3227 PRESSURE: 2198000 315.913 96.581 -174.154 96.5806 -174.886 50.4072 -174.154 50.4064 -26.0833 GPRESSURE: 2198000 271.079 69.7111 -158.407 154.543 -140.108 64.9745 -160.546 17.2043 76.8194 PRESSAVG: 2198000 13.506 -9.29827 45.0299 -9.29831 8.82097 -23.6693 45.0299 -23.6694 2.85647 GPRESSAVG: 2198000 13.8948 -10.0174 44.5072 -8.8403 9.46841 -23.1525 44.8781 -24.5645 1.95535 TIMING: 2198000 CPU: 6868.19, 0.00309175/step Wall: 6868.19, 0.00309175/step, 2.40641 hours remaining, 235.339844 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: 2198000 4042.7539 20732.2668 14456.0543 249.5458 -203056.8325 2744.5337 0.0000 0.0000 52104.5994 -108727.0785 299.4458 -160831.6780 -108372.1261 301.0396 38.3147 69.2632 765135.0059 8.3945 8.4395 PRESSURE: 2198200 -21.425 108.92 -61.2892 108.92 22.641 -40.7966 -61.289 -40.7966 -148.409 GPRESSURE: 2198200 86.6983 160.446 -84.3221 48.656 -78.4619 27.5361 -107.401 -15.0814 -78.9553 PRESSAVG: 2198200 0.709621 -2.46494 21.3368 -2.46494 -3.02682 21.5537 21.3368 21.5537 13.1859 GPRESSAVG: 2198200 -0.0635431 -2.6254 20.8564 -2.84769 -3.45155 21.4818 21.1029 21.9782 14.2642 TIMING: 2198200 CPU: 6868.82, 0.0031129/step Wall: 6868.82, 0.0031129/step, 2.4227 hours remaining, 235.339844 MB of memory in use. ENERGY: 2198200 3950.0226 20634.4670 14554.7242 248.7844 -203497.6583 2917.6605 0.0000 0.0000 52335.8400 -108856.1597 300.7748 -161191.9997 -108493.0957 300.1388 -49.0643 -23.5730 764675.6399 3.6229 3.5830 PRESSURE: 2198400 247.117 -101.2 -148.848 -101.201 -73.1993 249.384 -148.85 249.384 74.0653 GPRESSURE: 2198400 259.866 -64.9754 -67.0886 -69.1529 -70.9744 291.514 -20.8116 158.35 131.894 PRESSAVG: 2198400 -37.4194 10.6408 15.6412 10.6408 -31.1239 15.534 15.6412 15.5341 -27.2002 GPRESSAVG: 2198400 -36.9336 8.91781 15.507 11.2087 -30.1477 16.2994 16.0726 14.5301 -28.5208 TIMING: 2198400 CPU: 6869.43, 0.00309698/step Wall: 6869.43, 0.00309698/step, 2.41014 hours remaining, 235.339844 MB of memory in use. ENERGY: 2198400 3976.4083 20607.2310 14507.3033 261.3929 -203346.5724 2995.5354 0.0000 0.0000 51907.5091 -109091.1924 298.3132 -160998.7015 -108730.0500 299.6462 82.6612 106.9285 762980.8182 -31.9145 -31.8674 PRESSURE: 2198600 438.285 20.7227 -40.4842 20.7226 265.683 -211.508 -40.4834 -211.509 224.716 GPRESSURE: 2198600 432.314 99.153 -41.0348 -41.6387 365.605 -221.765 12.576 -228.669 211.166 PRESSAVG: 2198600 -3.02904 24.0237 39.8768 24.0237 -41.5579 -22.7419 39.8768 -22.7419 19.515 GPRESSAVG: 2198600 -3.24456 25.4062 40.1111 22.6405 -42.0886 -24.1458 40.1482 -21.5347 20.0542 TIMING: 2198600 CPU: 6870.05, 0.00309826/step Wall: 6870.05, 0.00309826/step, 2.41096 hours remaining, 235.339844 MB of memory in use. ENERGY: 2198600 3965.5679 20488.7407 14499.1042 244.6419 -203564.7747 2973.2277 0.0000 0.0000 52297.9065 -109095.5858 300.5568 -161393.4923 -108729.5756 299.6259 309.5615 336.3617 762142.3357 -8.3573 -8.4263 PRESSURE: 2198800 216.808 9.90495 26.4421 9.90465 195.832 111.207 26.4431 111.207 77.1571 GPRESSURE: 2198800 336.567 51.5329 7.38669 -59.1168 99.0502 178.119 96.1639 10.5347 170.931 PRESSAVG: 2198800 -22.5792 6.51466 15.9387 6.51464 39.4793 43.3311 15.9387 43.3311 5.24318 GPRESSAVG: 2198800 -22.8747 5.60889 16.5131 6.1559 39.7182 45.0267 15.7077 44.3568 5.77025 TIMING: 2198800 CPU: 6870.67, 0.00309054/step Wall: 6870.67, 0.00309054/step, 2.40479 hours remaining, 235.339844 MB of memory in use. ENERGY: 2198800 4045.3599 20595.3717 14542.5347 259.5433 -203865.9314 3128.9639 0.0000 0.0000 52154.9512 -109139.2067 299.7352 -161294.1579 -108781.4755 300.2111 163.2657 202.1828 761125.4637 7.3811 7.5379 PRESSURE: 2199000 264.333 305.218 65.7813 305.218 -82.2266 -30.4801 65.7814 -30.4814 257.659 GPRESSURE: 2199000 156.044 222.792 5.68531 293.933 116.716 -79.3479 119.302 -30.7474 239.113 PRESSAVG: 2199000 -1.13988 -41.1043 -2.06631 -41.1044 15.6414 76.6162 -2.06638 76.6162 6.38926 GPRESSAVG: 2199000 -0.620855 -40.3203 -1.28945 -40.9187 15.9824 74.5861 -3.55296 75.9743 5.46542 TIMING: 2199000 CPU: 6871.29, 0.00310177/step Wall: 6871.29, 0.00310177/step, 2.41335 hours remaining, 235.339844 MB of memory in use. ENERGY: 2199000 3923.5365 20559.6739 14538.1511 261.7470 -203536.2131 2788.9105 0.0000 0.0000 52222.3227 -109241.8715 300.1224 -161464.1942 -108879.1051 300.0641 146.5885 170.6242 759836.1834 6.9636 6.9423 PRESSURE: 2199200 -61.9958 62.4785 -67.8476 62.4775 78.1365 255.636 -67.8478 255.636 -344.177 GPRESSURE: 2199200 -4.8158 -38.4107 -67.3543 98.7173 50.5139 122.159 -148.028 241.789 -287.854 PRESSAVG: 2199200 34.6149 11.6646 -26.0026 11.6646 -26.6501 48.742 -26.0026 48.742 3.92518 GPRESSAVG: 2199200 33.3206 11.1989 -26.7026 13.8958 -26.6099 49.4287 -24.8738 49.3079 5.10478 TIMING: 2199200 CPU: 6871.91, 0.00308685/step Wall: 6871.91, 0.00308685/step, 2.40157 hours remaining, 235.339844 MB of memory in use. ENERGY: 2199200 4030.3311 20814.1386 14464.3100 256.0696 -203450.9498 2640.0916 0.0000 0.0000 52169.8878 -109076.1211 299.8211 -161246.0089 -108718.8389 299.8333 -109.3454 -80.7187 761297.8415 3.9633 3.9385 PRESSURE: 2199400 -308.029 -271.157 -153.269 -271.157 -111.791 -110.014 -153.269 -110.013 -18.6618 GPRESSURE: 2199400 -258.291 -163.306 -158.848 -278.334 -37.174 -66.9309 -255.446 -152.644 -35.7543 PRESSAVG: 2199400 30.6195 -11.1044 -0.48654 -11.1044 -13.5989 13.8474 -0.486518 13.8474 -14.157 GPRESSAVG: 2199400 31.1172 -11.1685 -0.739552 -11.9867 -13.6425 15.505 -1.07342 11.3978 -14.1062 TIMING: 2199400 CPU: 6872.53, 0.00308206/step Wall: 6872.53, 0.00308206/step, 2.39768 hours remaining, 235.339844 MB of memory in use. ENERGY: 2199400 4022.0597 20557.3656 14513.7205 258.2363 -203399.1771 2803.9278 0.0000 0.0000 52203.5307 -109040.3363 300.0144 -161243.8670 -108673.8671 299.7781 -146.1607 -110.4066 763684.4148 0.9546 1.1228 PRESSURE: 2199600 -238.768 -148.164 -71.5781 -148.163 23.1057 265.014 -71.5775 265.013 -471.041 GPRESSURE: 2199600 -141.678 -148.938 48.203 10.4669 -26.9896 363.097 -99.0517 295.277 -440.814 PRESSAVG: 2199600 0.00634436 -28.4663 -47.0557 -28.4662 0.0921241 37.5752 -47.0557 37.5753 -4.1183 GPRESSAVG: 2199600 0.453947 -28.1399 -47.4153 -27.1716 -0.512931 37.9826 -46.5756 40.1913 -4.50979 TIMING: 2199600 CPU: 6873.15, 0.00311207/step Wall: 6873.15, 0.00311207/step, 2.42084 hours remaining, 235.339844 MB of memory in use. ENERGY: 2199600 4000.4816 20645.8370 14445.0633 248.6080 -203413.2183 2887.6294 0.0000 0.0000 52203.7548 -108981.8443 300.0157 -161185.5990 -108614.7761 299.6954 -228.9012 -203.1606 764258.3948 -1.3399 -1.5229 PRESSURE: 2199800 322.748 -24.7874 160.539 -24.7879 -159.392 -121.234 160.54 -121.234 280.342 GPRESSURE: 2199800 282.572 -63.0641 122.548 33.429 -9.34164 -189.547 124.585 -213.736 265.223 PRESSAVG: 2199800 -30.2283 -0.571592 15.7653 -0.571581 -1.77771 -35.8248 15.7652 -35.8248 -29.2631 GPRESSAVG: 2199800 -31.3353 0.609781 16.7134 -0.733359 -0.335484 -37.0636 15.3426 -38.1059 -29.1747 TIMING: 2199800 CPU: 6873.77, 0.00310362/step Wall: 6873.77, 0.00310363/step, 2.4141 hours remaining, 235.339844 MB of memory in use. ENERGY: 2199800 4016.4188 20643.3426 14460.2139 238.6326 -203445.5020 2635.5384 0.0000 0.0000 52320.7523 -109130.6033 300.6881 -161451.3556 -108766.5787 300.1121 147.8994 179.4845 762193.2589 -20.4230 -20.2818 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2200000 WRITING COORDINATES TO RESTART FILE AT STEP 2200000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2200000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2200000 6.91296 -263.211 131.718 -263.211 60.3899 151.315 131.717 151.315 85.0888 GPRESSURE: 2200000 28.5575 -296.694 -7.76042 -183.733 91.5062 141.099 38.238 103.571 116.993 PRESSAVG: 2200000 -6.96389 3.68718 -3.13065 3.68716 8.42227 17.7709 -3.13058 17.7709 13.0487 GPRESSAVG: 2200000 -6.39063 6.18441 -4.33937 2.07682 7.99244 18.1907 -1.79692 17.8632 13.077 TIMING: 2200000 CPU: 6874.41, 0.00321959/step Wall: 6874.41, 0.00321959/step, 2.50413 hours remaining, 235.339844 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: 2200000 3972.3603 20612.4236 14556.3446 255.2489 -204089.8773 3217.6273 0.0000 0.0000 52243.8412 -109232.0313 300.2461 -161475.8726 -108866.6176 299.9833 50.7972 79.0188 763384.7290 4.8357 4.8929 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2200000 PRESSURE: 2200200 -618.427 188.936 -66.1322 188.936 -75.7599 41.0155 -66.1322 41.0154 22.75 GPRESSURE: 2200200 -560.731 102.505 -21.1821 289.444 -34.9072 83.3603 -0.723834 -56.813 12.3939 PRESSAVG: 2200200 -11.9457 -5.90379 -16.8539 -5.90381 47.7722 20.2115 -16.8539 20.2115 -23.0098 GPRESSAVG: 2200200 -11.4632 -7.02977 -13.9787 -4.69279 48.0995 21.3133 -17.805 20.1753 -23.2029 TIMING: 2200200 CPU: 6875.04, 0.00313485/step Wall: 6875.04, 0.00313485/step, 2.43804 hours remaining, 235.339844 MB of memory in use. ENERGY: 2200200 4003.8978 20543.4427 14551.4826 240.3804 -203554.6941 2965.5780 0.0000 0.0000 52042.5247 -109207.3879 299.0891 -161249.9126 -108847.7690 299.4870 -223.8124 -194.4147 763742.7282 4.2723 4.4778 LDB: ============= START OF LOAD BALANCING ============== 6887.52 LDB: ============== END OF LOAD BALANCING =============== 6887.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6887.52 LDB: ============= START OF LOAD BALANCING ============== 6887.84 LDB: Largest compute 7078 load 0.030572 is 15.7% of average load 0.195076 LDB: Average compute 0.004408 is 2.3% of average load 0.195076 LDB: TIME 6887.84 LOAD: AVG 0.195076 MAX 0.218742 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.469 MB LDB: TIME 6887.84 LOAD: AVG 0.195076 MAX 0.218742 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.469 MB LDB: TIME 6887.84 LOAD: AVG 0.195076 MAX 0.217673 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.469 MB LDB: ============== END OF LOAD BALANCING =============== 6887.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6887.85 PRESSURE: 2200400 -44.8081 22.1319 -261.553 22.1328 148.031 111.782 -261.554 111.781 210.041 GPRESSURE: 2200400 -72.7382 8.49012 -223.853 9.25484 146.82 77.4921 -238.959 95.4539 326.747 PRESSAVG: 2200400 -8.64918 -19.8399 -8.89504 -19.84 -3.08396 86.1864 -8.89504 86.1865 -13.5924 GPRESSAVG: 2200400 -8.68047 -18.5432 -10.1835 -22.6317 -3.97129 87.3494 -9.23005 84.8883 -12.5401 TIMING: 2200400 CPU: 6875.68, 0.00319755/step Wall: 6875.68, 0.00319755/step, 2.48663 hours remaining, 233.730469 MB of memory in use. ENERGY: 2200400 3946.0151 20596.1888 14543.1621 248.2004 -203629.5109 3155.5596 0.0000 0.0000 51989.4846 -109150.9002 298.7843 -161140.3848 -108795.8837 299.0704 104.4214 133.6095 764049.5221 -8.4419 -8.3973 PRESSURE: 2200600 255.651 -204.754 -378.255 -204.753 157.776 -147.709 -378.254 -147.709 236.648 GPRESSURE: 2200600 251.691 -238.658 -323.127 -185.268 256.517 -212.648 -438.799 -50.1007 227.739 PRESSAVG: 2200600 -86.7798 -59.9142 31.578 -59.9142 74.5671 35.1688 31.5779 35.1688 -18.8274 GPRESSAVG: 2200600 -86.4497 -62.6818 30.1417 -57.7262 75.6079 34.4742 32.2231 38.4397 -19.9804 TIMING: 2200600 CPU: 6876.31, 0.00314326/step Wall: 6876.31, 0.00314326/step, 2.44423 hours remaining, 233.730469 MB of memory in use. ENERGY: 2200600 3958.8032 20572.1347 14562.0715 255.8042 -203624.3524 3121.6445 0.0000 0.0000 52292.1045 -108861.7897 300.5234 -161153.8943 -108500.6486 299.9217 216.6916 245.3157 763836.0614 -10.3467 -10.2740 PRESSURE: 2200800 15.154 11.7088 250.619 11.7082 233.827 -98.8622 250.619 -98.8615 9.9774 GPRESSURE: 2200800 2.36129 38.3452 125.519 -80.9602 247.913 -67.0632 272.703 -11.7358 88.9333 PRESSAVG: 2200800 -39.2061 12.3274 37.8357 12.3273 71.7136 39.6482 37.8358 39.6482 18.3547 GPRESSAVG: 2200800 -40.2687 14.1475 36.7216 11.0936 72.5437 38.5563 39.8191 37.9451 18.3507 TIMING: 2200800 CPU: 6876.93, 0.00310309/step Wall: 6876.93, 0.00310309/step, 2.41283 hours remaining, 233.730469 MB of memory in use. ENERGY: 2200800 3964.6747 20653.5248 14570.4898 238.7798 -203345.5611 2679.4346 0.0000 0.0000 52481.9206 -108756.7368 301.6143 -161238.6574 -108397.0265 300.1056 86.3196 113.0691 764203.1297 16.9540 16.8752 PRESSURE: 2201000 -157.545 -3.31753 -7.72072 -3.3176 336.537 -2.18169 -7.72051 -2.1823 -28.4333 GPRESSURE: 2201000 -88.6388 16.3744 91.1831 6.91673 349.467 -88.0908 38.578 -73.4504 -43.2046 PRESSAVG: 2201000 -22.4011 13.3253 32.3601 13.3253 20.7068 25.7519 32.3601 25.7518 31.99 GPRESSAVG: 2201000 -21.9692 12.0003 33.5992 13.5887 20.6963 26.6994 29.7245 24.5158 31.4187 TIMING: 2201000 CPU: 6877.56, 0.00316958/step Wall: 6877.56, 0.00316958/step, 2.46435 hours remaining, 233.730469 MB of memory in use. ENERGY: 2201000 3921.1059 20653.4278 14474.5295 239.7871 -203208.9840 2899.7734 0.0000 0.0000 52120.4341 -108899.9261 299.5369 -161020.3602 -108532.6845 300.0885 50.1861 72.5411 762687.7675 10.0986 10.0486 PRESSURE: 2201200 294.574 -175.622 25.4271 -175.623 185.736 225.769 25.4274 225.769 505.877 GPRESSURE: 2201200 315.246 -116.471 -6.83727 -215.754 184.055 196.226 40.0222 160.427 559.488 PRESSAVG: 2201200 -29.5463 9.32692 16.1584 9.32695 8.01668 36.531 16.1585 36.5311 14.29 GPRESSAVG: 2201200 -29.4972 9.68958 17.5984 7.82438 7.43287 35.7909 15.5467 37.732 15.2779 TIMING: 2201200 CPU: 6878.19, 0.00314666/step Wall: 6878.19, 0.00314666/step, 2.44635 hours remaining, 233.730469 MB of memory in use. ENERGY: 2201200 3904.6531 20705.2213 14560.8016 254.4158 -203125.6668 2695.6326 0.0000 0.0000 51934.8052 -109070.1371 298.4700 -161004.9423 -108706.3362 299.9299 328.7292 352.9296 763488.1062 -2.4132 -2.2621 PRESSURE: 2201400 -148.401 75.5535 93.0946 75.5537 -264.181 77.4881 93.0939 77.4873 254.314 GPRESSURE: 2201400 -118.409 213.089 59.7855 113.927 -245.569 10.4794 93.5767 40.1114 278.612 PRESSAVG: 2201400 22.6395 29.0203 -4.70307 29.0203 2.97928 29.8605 -4.70306 29.8604 32.6366 GPRESSAVG: 2201400 23.4492 28.6824 -6.80036 30.983 2.00225 30.9665 -4.11305 29.3696 32.8609 TIMING: 2201400 CPU: 6878.83, 0.00317197/step Wall: 6878.83, 0.00317197/step, 2.46585 hours remaining, 233.730469 MB of memory in use. ENERGY: 2201400 3987.0766 20706.0160 14469.1650 247.9864 -203042.9141 2565.6091 0.0000 0.0000 51951.8646 -109115.1964 298.5681 -161067.0610 -108759.9868 299.5032 -52.7558 -28.4554 763161.4118 19.4185 19.4375 PRESSURE: 2201600 -384.055 49.274 65.7542 49.2736 -373.863 100.995 65.7544 100.995 194.278 GPRESSURE: 2201600 -314.375 -20.4652 102.297 66.449 -250.233 127.135 51.1935 47.2425 98.5895 PRESSAVG: 2201600 19.6859 31.7897 0.036411 31.7897 -38.5345 -3.45732 0.0363748 -3.45731 -5.30493 GPRESSAVG: 2201600 18.6029 30.9245 0.813502 30.5871 -37.852 -4.47357 0.840342 -3.58632 -4.70845 TIMING: 2201600 CPU: 6879.46, 0.00316744/step Wall: 6879.46, 0.00316744/step, 2.46216 hours remaining, 233.730469 MB of memory in use. ENERGY: 2201600 3949.5134 20693.9508 14475.0363 257.7320 -202899.9778 2444.3742 0.0000 0.0000 52144.4548 -108934.9163 299.6749 -161079.3711 -108571.0627 299.5836 -187.8803 -155.3394 762322.5996 -8.0512 -7.9858 PRESSURE: 2201800 -24.8199 -59.6787 -199.163 -59.679 309.165 -155.168 -199.162 -155.167 131.682 GPRESSURE: 2201800 34.3776 18.6443 -193.722 -186.839 262.162 -134.92 -209.206 -85.6542 204.54 PRESSAVG: 2201800 -4.5947 -15.5518 1.65351 -15.5518 15.5762 11.7218 1.65353 11.7218 -12.5239 GPRESSAVG: 2201800 -2.84593 -15.1397 1.91382 -14.0412 14.5757 13.4692 1.76448 13.2653 -13.4139 TIMING: 2201800 CPU: 6880.09, 0.0031436/step Wall: 6880.09, 0.0031436/step, 2.44345 hours remaining, 233.730469 MB of memory in use. ENERGY: 2201800 3978.6013 20680.9952 14475.7908 252.6519 -203182.7756 2715.1091 0.0000 0.0000 52349.5889 -108730.0386 300.8538 -161079.6275 -108367.2939 299.4977 138.6755 167.0266 761550.6598 -0.5141 -0.5614 PRESSURE: 2202000 185.3 28.8158 39.1544 28.8151 -264.1 187.485 39.154 187.485 -10.3729 GPRESSURE: 2202000 186.8 -43.1266 23.2284 -43.5571 -160.069 84.6105 24.385 130.955 -37.8811 PRESSAVG: 2202000 -33.8055 -14.4624 -8.81085 -14.4624 13.8257 59.9342 -8.81081 59.9342 6.15771 GPRESSAVG: 2202000 -35.1416 -14.7326 -8.36691 -14.8311 14.0331 59.2482 -10.7438 57.3741 7.59055 TIMING: 2202000 CPU: 6880.72, 0.00314913/step Wall: 6880.72, 0.00314913/step, 2.44757 hours remaining, 233.730469 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: 2202000 4074.1999 20532.9930 14516.6045 266.4854 -203176.1884 2813.5063 0.0000 0.0000 51883.6478 -109088.7515 298.1760 -160972.3993 -108738.9245 299.2615 -29.7242 -3.7165 763088.2968 -4.6074 -4.5060 PRESSURE: 2202200 -454.236 151.948 325.76 151.948 -186.261 -238.75 325.759 -238.75 -141.93 GPRESSURE: 2202200 -461.332 263.349 245.646 129.474 -142.546 -306.718 278.983 -195.958 -101.871 PRESSAVG: 2202200 -26.1318 23.4824 28.7337 23.4824 17.731 28.9633 28.7337 28.9632 -10.366 GPRESSAVG: 2202200 -25.8377 24.8705 28.1803 23.9673 17.6851 28.4123 30.0561 29.0259 -10.7828 TIMING: 2202200 CPU: 6881.35, 0.00314395/step Wall: 6881.35, 0.00314395/step, 2.44338 hours remaining, 233.730469 MB of memory in use. ENERGY: 2202200 3933.6852 20486.9989 14472.8454 262.1543 -202830.3550 2459.2803 0.0000 0.0000 52002.0077 -109213.3832 298.8563 -161215.3909 -108854.1456 298.8615 -260.8094 -235.2499 764108.9333 -6.2556 -6.3118 PRESSURE: 2202400 -36.9925 58.057 -260.748 58.0577 -506.573 13.9254 -260.748 13.9266 115.944 GPRESSURE: 2202400 -35.5578 35.9387 -242.918 149.422 -393.166 147.809 -257.566 -104.215 67.2233 PRESSAVG: 2202400 -51.256 18.0748 40.1256 18.0748 5.6882 -9.62811 40.1256 -9.6281 -12.2134 GPRESSAVG: 2202400 -51.2782 17.4961 40.3307 18.5988 6.68943 -11.2762 40.2799 -8.76982 -13.1297 TIMING: 2202400 CPU: 6881.98, 0.00316125/step Wall: 6881.98, 0.00316124/step, 2.45664 hours remaining, 233.730469 MB of memory in use. ENERGY: 2202400 3953.5400 20539.7522 14379.3137 231.2241 -202751.6724 2502.6918 0.0000 0.0000 52095.6157 -109049.5349 299.3942 -161145.1506 -108694.0326 298.8396 -142.5403 -120.5002 764522.2064 -19.2604 -19.2395 PRESSURE: 2202600 88.5463 -50.4873 -35.8187 -50.4873 257.464 -113.435 -35.8194 -113.435 38.313 GPRESSURE: 2202600 234.266 -71.49 -19.1327 -19.6324 252.394 -131.53 -142.533 -56.59 2.763 PRESSAVG: 2202600 -11.6011 -9.24089 -27.5193 -9.24088 -15.2586 -15.8792 -27.5193 -15.8792 28.9818 GPRESSAVG: 2202600 -10.8802 -8.76142 -27.797 -10.466 -16.0032 -13.6468 -27.5418 -16.4627 28.8905 TIMING: 2202600 CPU: 6882.61, 0.00315948/step Wall: 6882.61, 0.00315948/step, 2.45509 hours remaining, 233.730469 MB of memory in use. ENERGY: 2202600 3968.7047 20463.0400 14531.0829 254.0897 -203415.2764 2895.8468 0.0000 0.0000 52143.9553 -109158.5570 299.6720 -161302.5123 -108795.0579 299.6602 128.1077 163.1407 762797.3773 0.7074 0.6690 PRESSURE: 2202800 -103.993 3.78427 -71.7143 3.78387 115.71 -166.458 -71.7145 -166.458 16.1153 GPRESSURE: 2202800 -148.626 -65.2213 -1.3002 91.3497 187.366 -154.958 -116.009 -136.499 42.316 PRESSAVG: 2202800 -26.9761 -7.75723 -27.5994 -7.75723 -4.9633 -0.271166 -27.5994 -0.271116 -0.28377 GPRESSAVG: 2202800 -27.3048 -8.54151 -27.1814 -7.93972 -5.30394 -0.408319 -27.2014 -1.57117 0.495275 TIMING: 2202800 CPU: 6883.24, 0.00314772/step Wall: 6883.24, 0.00314772/step, 2.44578 hours remaining, 233.730469 MB of memory in use. ENERGY: 2202800 3973.6611 20606.8385 14482.3417 229.9707 -202998.6286 2361.2874 0.0000 0.0000 52274.5240 -109070.0053 300.4224 -161344.5293 -108696.2202 299.6890 9.2775 27.0187 763447.2421 -10.7411 -10.7045 PRESSURE: 2203000 377.249 -158.853 -270.544 -158.854 175.081 62.3644 -270.543 62.3637 291.103 GPRESSURE: 2203000 367.242 34.2871 -251.713 -141.361 241.964 145.996 -262.448 64.1674 334.078 PRESSAVG: 2203000 -31.7649 -31.6798 -37.9049 -31.6797 8.76359 -23.0543 -37.9049 -23.0543 33.5118 GPRESSAVG: 2203000 -32.5664 -32.5095 -37.9528 -31.5625 9.57925 -22.9055 -38.8292 -23.0084 33.7569 TIMING: 2203000 CPU: 6883.87, 0.00314095/step Wall: 6883.87, 0.00314095/step, 2.44034 hours remaining, 233.730469 MB of memory in use. ENERGY: 2203000 3981.0566 20296.3768 14614.9657 243.9545 -203334.7441 3012.0952 0.0000 0.0000 52113.0398 -109073.2555 299.4944 -161186.2953 -108707.1051 299.4831 281.1445 314.4276 762406.5552 3.5035 3.5899 PRESSURE: 2203200 297.599 42.116 -86.0523 42.1146 31.4283 -136.757 -86.0516 -136.759 570.14 GPRESSURE: 2203200 330.57 97.2717 11.8067 24.1122 207.931 -118.972 30.6166 -238.185 450.499 PRESSAVG: 2203200 4.65818 -60.4859 -80.2565 -60.4859 -38.1865 -71.2731 -80.2565 -71.2731 -1.10176 GPRESSAVG: 2203200 5.46779 -58.855 -79.8577 -60.8283 -38.3298 -71.547 -80.3808 -70.8432 -2.55187 TIMING: 2203200 CPU: 6884.49, 0.00311483/step Wall: 6884.49, 0.00311483/step, 2.41988 hours remaining, 233.730469 MB of memory in use. ENERGY: 2203200 3910.2977 20542.1287 14588.2326 263.8617 -203399.4210 3003.4886 0.0000 0.0000 52054.1698 -109037.2420 299.1560 -161091.4118 -108681.9308 299.4762 299.7224 329.6669 761800.8066 -11.5434 -11.8046 PRESSURE: 2203400 -276.053 79.1445 -210.593 79.1443 -230.083 -130.77 -210.593 -130.772 -193.408 GPRESSURE: 2203400 -201.741 70.3759 -181.143 92.1036 -153.332 -28.633 -24.7519 -123.306 -244.514 PRESSAVG: 2203400 -9.07234 -25.2401 -26.1519 -25.2402 18.0613 -101.054 -26.1519 -101.054 13.4121 GPRESSAVG: 2203400 -9.43705 -25.6796 -27.3411 -25.0038 17.3327 -101.203 -24.6853 -101.79 14.312 TIMING: 2203400 CPU: 6885.11, 0.00310428/step Wall: 6885.11, 0.00310428/step, 2.41151 hours remaining, 233.730469 MB of memory in use. ENERGY: 2203400 4053.3308 20433.8549 14504.6527 255.1781 -202637.0161 2357.6371 0.0000 0.0000 52020.6839 -109011.6787 298.9636 -161032.3626 -108659.4462 299.2218 -233.1812 -199.8623 761970.7072 7.4670 7.4026 PRESSURE: 2203600 552.636 -73.5549 87.4277 -73.5543 551.652 64.5204 87.4265 64.5207 104.21 GPRESSURE: 2203600 596.898 -120.533 60.5131 -141.56 623.344 60.1949 134.249 34.9382 71.6081 PRESSAVG: 2203600 -39.2157 -17.7002 -29.9994 -17.7002 17.624 -63.9936 -29.9994 -63.9936 -10.9466 GPRESSAVG: 2203600 -38.7017 -16.6664 -28.2359 -16.7277 17.3374 -63.3362 -31.3633 -61.6429 -10.9827 TIMING: 2203600 CPU: 6885.74, 0.00312573/step Wall: 6885.74, 0.00312573/step, 2.428 hours remaining, 233.730469 MB of memory in use. ENERGY: 2203600 3923.9941 20588.2941 14534.9710 239.2436 -203588.2667 3128.1081 0.0000 0.0000 52254.8016 -108918.8543 300.3091 -161173.6559 -108565.9137 299.6839 402.8325 430.6166 761451.4826 -10.8461 -10.7823 PRESSURE: 2203800 -175.727 18.2237 -128.356 18.2239 -60.0056 -156.657 -128.355 -156.658 -43.3998 GPRESSURE: 2203800 -92.5356 -128.56 -170.297 -23.8694 -51.6932 -196.621 -221.397 -126.232 -58.358 PRESSAVG: 2203800 -1.31398 25.0923 -29.215 25.0924 24.3819 -15.1663 -29.215 -15.1663 27.0846 GPRESSAVG: 2203800 -1.6988 23.3786 -28.9995 25.1577 24.6535 -17.6077 -30.3107 -16.4902 27.098 TIMING: 2203800 CPU: 6886.36, 0.00312331/step Wall: 6886.36, 0.00312331/step, 2.42594 hours remaining, 233.730469 MB of memory in use. ENERGY: 2203800 4023.6048 20616.8916 14542.6184 247.8776 -202873.5493 2579.9644 0.0000 0.0000 52062.6382 -108799.9542 299.2047 -160862.5924 -108444.5125 300.1112 -93.0441 -67.5289 762707.5299 16.7175 16.6842 PRESSURE: 2204000 -96.1416 -98.4195 -76.3833 -98.4215 -207.338 -39.5607 -76.3834 -39.5612 -118.221 GPRESSURE: 2204000 -66.1422 -28.6796 -146.473 -96.375 -180.472 -32.0185 -108.05 22.3165 -85.3962 PRESSAVG: 2204000 -22.7166 0.609987 4.66 0.60999 32.1119 -12.4792 4.65997 -12.4793 24.1101 GPRESSAVG: 2204000 -23.1495 0.140235 4.87256 -1.10955 31.878 -10.0972 5.14034 -12.5554 24.7394 TIMING: 2204000 CPU: 6886.98, 0.0030964/step Wall: 6886.98, 0.0030964/step, 2.40487 hours remaining, 233.730469 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: 2204000 4003.6353 20687.7786 14496.4979 240.3280 -202690.9518 2386.6947 0.0000 0.0000 52166.5138 -108709.5035 299.8017 -160876.0173 -108350.5879 300.5468 -140.5670 -110.6701 763199.1397 11.1685 11.1560 PRESSURE: 2204200 -292.479 -68.7814 -168.63 -68.7819 90.5296 75.4114 -168.63 75.4111 229.967 GPRESSURE: 2204200 -190.027 -191.454 -68.4091 27.7738 46.8377 38.6155 -229.665 48.3758 252.917 PRESSAVG: 2204200 -22.8074 -27.7769 28.6197 -27.777 8.16204 -19.3658 28.6196 -19.3657 -19.505 GPRESSAVG: 2204200 -22.8027 -27.2745 28.8844 -26.8457 8.25567 -20.2966 27.739 -19.773 -19.6011 TIMING: 2204200 CPU: 6887.61, 0.00311675/step Wall: 6887.61, 0.00311675/step, 2.4205 hours remaining, 233.730469 MB of memory in use. ENERGY: 2204200 3908.7863 20670.6185 14447.4118 233.0532 -202858.6857 2659.9457 0.0000 0.0000 52201.3945 -108737.4756 300.0021 -160938.8702 -108368.6189 299.8536 9.3392 36.5758 763215.1002 -11.3835 -11.3827 LDB: ============= START OF LOAD BALANCING ============== 6900.08 LDB: ============== END OF LOAD BALANCING =============== 6900.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6900.09 LDB: ============= START OF LOAD BALANCING ============== 6900.4 LDB: Largest compute 7030 load 0.030540 is 15.7% of average load 0.194960 LDB: Average compute 0.004432 is 2.3% of average load 0.194960 LDB: TIME 6900.4 LOAD: AVG 0.19496 MAX 0.213785 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.445 MB LDB: TIME 6900.4 LOAD: AVG 0.19496 MAX 0.213785 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.648 MB LDB: TIME 6900.4 LOAD: AVG 0.19496 MAX 0.213785 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.648 MB LDB: ============== END OF LOAD BALANCING =============== 6900.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6900.41 PRESSURE: 2204400 -326.348 4.23181 71.4116 4.23099 114.258 -237.024 71.4128 -237.024 -144.755 GPRESSURE: 2204400 -206.867 96.5405 85.9822 -17.5831 99.7619 -294.808 66.4904 -112.245 -148.25 PRESSAVG: 2204400 -9.75583 -35.731 58.9724 -35.7311 -29.224 -3.73794 58.9724 -3.7379 -15.5644 GPRESSAVG: 2204400 -10.9793 -35.8673 57.7228 -38.5223 -29.0397 -4.5469 59.4133 -3.73685 -15.0216 TIMING: 2204400 CPU: 6888.25, 0.00319736/step Wall: 6888.25, 0.00319736/step, 2.48293 hours remaining, 235.464844 MB of memory in use. ENERGY: 2204400 3933.2645 20627.9975 14505.1118 253.6662 -203018.2667 2687.8972 0.0000 0.0000 52272.3897 -108737.9398 300.4101 -161010.3295 -108375.1263 299.8416 -118.9484 -85.1185 763852.0948 -18.1814 -18.3469 PRESSURE: 2204600 -56.8112 -119.656 62.8596 -119.655 -254.968 51.8752 62.8606 51.8752 64.7526 GPRESSURE: 2204600 -127.572 -136.891 1.94456 -58.4386 -107.384 97.3097 134.085 -6.13963 78.153 PRESSAVG: 2204600 3.96043 1.3664 4.17497 1.36645 25.1507 -4.30781 4.17497 -4.30776 2.55977 GPRESSAVG: 2204600 5.10926 -0.0264605 3.43105 4.38495 24.7036 -3.59526 5.98203 -3.77227 1.84577 TIMING: 2204600 CPU: 6888.87, 0.00312646/step Wall: 6888.87, 0.00312646/step, 2.42769 hours remaining, 235.667969 MB of memory in use. ENERGY: 2204600 4072.0996 20522.1505 14500.9796 252.7900 -203423.0164 3036.3973 0.0000 0.0000 52052.2339 -108986.3656 299.1449 -161038.5995 -108635.2840 299.4384 -82.3420 -52.2676 764052.0640 10.5570 10.5529 PRESSURE: 2204800 -148.579 8.63831 -32.6598 8.63817 -644.622 29.3844 -32.6598 29.3838 -64.5222 GPRESSURE: 2204800 -153.855 1.47036 -54.7152 163.926 -535.898 44.3253 57.757 24.4752 -61.9849 PRESSAVG: 2204800 21.1365 -4.61514 -8.86868 -4.61516 -36.2397 2.12853 -8.86863 2.12852 -44.4253 GPRESSAVG: 2204800 20.2641 -5.88131 -8.68512 -3.62565 -35.5569 2.85881 -11.6034 1.23588 -44.5822 TIMING: 2204800 CPU: 6889.5, 0.00312286/step Wall: 6889.5, 0.00312286/step, 2.42473 hours remaining, 235.667969 MB of memory in use. ENERGY: 2204800 3974.3086 20512.1450 14453.6114 230.8730 -202979.1267 2572.5246 0.0000 0.0000 52120.3581 -109115.3061 299.5364 -161235.6641 -108744.2584 299.5685 -285.9076 -250.5793 763614.5560 -19.8428 -19.9583 PRESSURE: 2205000 -264.686 67.4741 -127.6 67.4742 -10.6707 97.5271 -127.6 97.5285 102.333 GPRESSURE: 2205000 -209.017 -7.54475 -71.4285 -4.62503 49.9908 3.85716 -51.4851 30.4411 78.3931 PRESSAVG: 2205000 -30.5678 -1.07626 -22.9976 -1.07623 39.048 -3.1824 -22.9976 -3.18239 28.3448 GPRESSAVG: 2205000 -30.7442 2.33267 -22.9327 -2.82071 38.4179 -3.36808 -21.8314 -3.6946 28.6132 TIMING: 2205000 CPU: 6890.12, 0.0031181/step Wall: 6890.12, 0.0031181/step, 2.42086 hours remaining, 235.667969 MB of memory in use. ENERGY: 2205000 4070.7651 20720.7841 14426.6246 253.0457 -202917.1593 2469.9923 0.0000 0.0000 52092.6329 -108883.3146 299.3771 -160975.9475 -108528.9290 300.3188 -57.6745 -26.8776 762490.6486 12.2750 12.0956 PRESSURE: 2205200 -72.9744 39.4037 -60.9862 39.4047 127.608 132.182 -60.9867 132.182 69.7148 GPRESSURE: 2205200 -1.0963 32.9689 -22.5189 59.6575 41.0788 189.83 -166.473 -2.89294 160.674 PRESSAVG: 2205200 -39.1976 -46.4289 -52.3022 -46.4288 5.44126 -96.8343 -52.3022 -96.8344 24.5007 GPRESSAVG: 2205200 -38.3252 -48.2695 -52.9056 -49.1805 4.57368 -95.6359 -51.8635 -95.9483 24.4639 TIMING: 2205200 CPU: 6890.74, 0.00309848/step Wall: 6890.74, 0.00309848/step, 2.40545 hours remaining, 235.667969 MB of memory in use. ENERGY: 2205200 3990.1226 20733.0680 14472.5725 261.6597 -203540.3936 2862.4050 0.0000 0.0000 52315.1449 -108905.4209 300.6559 -161220.5658 -108547.1461 300.3391 41.4494 66.8857 762965.5079 -3.0852 -3.0959 PRESSURE: 2205400 -304.202 -171.922 -222.333 -171.922 63.4288 -171.553 -222.333 -171.553 -236.763 GPRESSURE: 2205400 -266.475 -83.0223 -180.219 -255.034 34.7787 -180.942 -213.711 -162.849 -165.024 PRESSAVG: 2205400 -3.65892 -47.8396 -61.4117 -47.8395 8.92325 -4.69865 -61.4117 -4.69867 -10.6213 GPRESSAVG: 2205400 -4.25015 -45.1606 -59.9185 -44.2292 8.41611 -4.62043 -62.809 -5.37759 -9.28199 TIMING: 2205400 CPU: 6891.36, 0.00312871/step Wall: 6891.36, 0.00312871/step, 2.42875 hours remaining, 235.667969 MB of memory in use. ENERGY: 2205400 4022.8659 20550.6736 14440.6428 262.8792 -203158.1785 2882.3351 0.0000 0.0000 51999.9257 -108998.8562 298.8443 -160998.7819 -108630.6896 299.6141 -159.1786 -132.2404 764382.5831 -1.7857 -1.7053 PRESSURE: 2205600 -474.922 -225.611 -21.868 -225.611 -356.411 136.685 -21.8682 136.685 -3.86679 GPRESSURE: 2205600 -528.876 -363.778 34.1258 -252.845 -185.373 159.397 -16.7662 111.869 -48.7708 PRESSAVG: 2205600 -0.793479 -68.6823 3.51969 -68.6823 16.582 1.80225 3.51975 1.80228 -13.604 GPRESSAVG: 2205600 -1.31848 -71.9999 3.88496 -68.6692 17.2028 1.47386 4.75032 0.394261 -14.0338 TIMING: 2205600 CPU: 6891.99, 0.00311941/step Wall: 6891.99, 0.00311941/step, 2.42136 hours remaining, 235.667969 MB of memory in use. ENERGY: 2205600 4072.5445 20471.0232 14435.8302 271.3269 -202856.5881 2627.5172 0.0000 0.0000 52049.8908 -108928.4552 299.1314 -160978.3461 -108569.2878 299.9826 -278.4000 -254.3399 765474.6019 0.7282 0.6168 PRESSURE: 2205800 377.574 -90.4683 236.644 -90.4685 70.3648 -102.312 236.645 -102.311 231.013 GPRESSURE: 2205800 334.917 -72.4702 289.625 -15.3375 167.579 -204.632 139.939 37.522 267.634 PRESSAVG: 2205800 -24.3169 -40.202 0.263014 -40.202 22.5578 -11.2134 0.262996 -11.2135 26.9981 GPRESSAVG: 2205800 -24.1041 -38.7024 0.0283281 -40.401 23.1454 -10.892 -1.22074 -9.38196 27.0713 TIMING: 2205800 CPU: 6892.61, 0.00312612/step Wall: 6892.61, 0.00312612/step, 2.42639 hours remaining, 235.667969 MB of memory in use. ENERGY: 2205800 3970.1006 20606.2655 14371.6517 258.6316 -203087.5047 2725.5306 0.0000 0.0000 51870.1745 -109285.1502 298.0986 -161155.3247 -108926.3863 299.4131 226.3172 256.7101 762275.3562 8.4130 8.7042 PRESSURE: 2206000 244.655 -153.368 10.9412 -153.368 52.9451 57.5032 10.9399 57.5029 -319.707 GPRESSURE: 2206000 304.739 -214.019 30.5423 -321.358 100.571 119.844 53.4315 -40.8152 -333.95 PRESSAVG: 2206000 -8.52127 -40.2064 -56.0831 -40.2064 -15.56 -32.3614 -56.0831 -32.3614 3.34044 GPRESSAVG: 2206000 -7.92506 -40.0471 -57.3326 -40.9234 -16.6204 -32.5528 -53.2787 -32.2354 3.53891 TIMING: 2206000 CPU: 6893.24, 0.00314242/step Wall: 6893.24, 0.00314242/step, 2.43887 hours remaining, 235.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2206000 3996.9540 20594.3913 14429.4229 259.2189 -203303.3492 2683.6547 0.0000 0.0000 51799.6814 -109540.0261 297.6935 -161339.7075 -109173.3928 298.4969 -7.3690 23.7868 763356.8634 -6.9136 -7.0022 PRESSURE: 2206200 -447.201 153.452 -48.9179 153.452 -393.89 -28.4479 -48.9184 -28.4475 68.5183 GPRESSURE: 2206200 -364.99 61.1136 -127.442 1.4974 -370.826 -17.0767 -106.701 26.8465 52.6464 PRESSAVG: 2206200 6.52682 -29.9113 9.14817 -29.9113 25.4418 -2.9511 9.14822 -2.95105 14.1803 GPRESSAVG: 2206200 5.82504 -33.5336 10.2579 -29.2308 25.3299 -5.71101 7.96043 -2.62406 14.7221 TIMING: 2206200 CPU: 6893.87, 0.00312598/step Wall: 6893.87, 0.00312598/step, 2.42593 hours remaining, 235.667969 MB of memory in use. ENERGY: 2206200 3962.1972 20513.6374 14467.7177 252.0653 -202977.3693 2727.0912 0.0000 0.0000 51847.6089 -109207.0517 297.9689 -161054.6606 -108845.8282 298.7692 -257.5243 -227.7231 763223.2502 15.3830 15.2923 PRESSURE: 2206400 -65.4514 -15.725 -180.329 -15.725 209.109 -292.396 -180.329 -292.395 116.484 GPRESSURE: 2206400 21.7473 -125.568 -166.736 77.4032 137.802 -221.031 -90.2018 -312.306 171.127 PRESSAVG: 2206400 -28.4058 17.4068 15.5291 17.4068 23.6689 13.0998 15.5292 13.0999 4.51097 GPRESSAVG: 2206400 -28.4955 19.8095 14.88 16.1546 23.2467 13.1872 14.1774 12.2938 4.66084 TIMING: 2206400 CPU: 6894.49, 0.00312452/step Wall: 6894.49, 0.00312452/step, 2.42463 hours remaining, 235.667969 MB of memory in use. ENERGY: 2206400 4040.7024 20558.0993 14481.0203 245.6462 -203122.3655 2646.4778 0.0000 0.0000 52040.0850 -109110.3345 299.0751 -161150.4195 -108748.4180 299.2428 86.7138 110.2254 761933.3929 -0.0753 -0.1960 PRESSURE: 2206600 25.3403 -75.5214 121.534 -75.5218 12.9433 -26.5266 121.533 -26.5284 179.35 GPRESSURE: 2206600 69.5987 -72.0116 136.19 -78.8752 105.07 8.26921 -5.56722 -63.3864 116.201 PRESSAVG: 2206600 -36.6786 7.8485 -27.0688 7.84847 54.791 -33.0686 -27.0688 -33.0687 13.123 GPRESSAVG: 2206600 -36.7217 8.42908 -25.8684 8.3007 56.8255 -31.2987 -26.8383 -34.3346 10.9126 TIMING: 2206600 CPU: 6895.11, 0.0031132/step Wall: 6895.11, 0.0031132/step, 2.41567 hours remaining, 235.667969 MB of memory in use. ENERGY: 2206600 4061.7122 20514.8952 14491.0537 249.4999 -203387.8926 2913.4565 0.0000 0.0000 51898.9416 -109258.3335 298.2639 -161157.2751 -108892.7268 299.0456 72.5444 96.9565 762623.0792 10.4118 10.3388 PRESSURE: 2206800 43.1108 -19.6361 171.553 -19.6357 74.0986 145.513 171.554 145.513 -390.926 GPRESSURE: 2206800 11.2469 -12.9352 174.001 8.08507 62.4979 189.222 150.219 162.649 -277.49 PRESSAVG: 2206800 -28.9275 -14.267 33.8921 -14.2669 47.7473 84.1278 33.8922 84.1278 -4.75106 GPRESSAVG: 2206800 -29.9044 -13.7787 32.8158 -14.2717 47.6467 83.0137 35.1747 86.0362 -3.44 TIMING: 2206800 CPU: 6895.74, 0.0031063/step Wall: 6895.74, 0.0031063/step, 2.41014 hours remaining, 235.667969 MB of memory in use. ENERGY: 2206800 3908.6057 20392.3028 14463.1363 243.2530 -203220.2338 2646.7347 0.0000 0.0000 52061.9206 -109504.2808 299.2006 -161566.2014 -109140.8555 298.6394 -91.2388 -67.9150 762934.8025 4.6896 4.7674 PRESSURE: 2207000 -81.757 -234.55 50.889 -234.55 154.799 64.2265 50.8887 64.2268 -117.867 GPRESSURE: 2207000 -68.5289 -171.449 33.1863 -267.495 228.324 2.1547 60.7055 -93.9618 -108.577 PRESSAVG: 2207000 -32.1608 -39.1738 22.4564 -39.1738 37.989 -53.6967 22.4564 -53.6967 -26.8398 GPRESSAVG: 2207000 -31.351 -40.2622 22.8089 -36.7229 37.1279 -53.6627 21.7651 -55.9835 -26.7847 TIMING: 2207000 CPU: 6896.36, 0.00311613/step Wall: 6896.36, 0.00311613/step, 2.4176 hours remaining, 235.667969 MB of memory in use. ENERGY: 2207000 4021.6027 20352.1175 14480.6388 262.6662 -203875.8776 3157.5783 0.0000 0.0000 52254.2078 -109347.0664 300.3057 -161601.2742 -108980.8800 298.8017 -14.9416 17.0727 763958.1166 -7.0039 -7.0026 PRESSURE: 2207200 -135.356 -100.754 1.49774 -100.755 -158.458 224.493 1.49743 224.492 -662.379 GPRESSURE: 2207200 -217.384 -196.916 -28.2212 -55.2071 -82.8143 182.425 89.912 168.375 -563.548 PRESSAVG: 2207200 -5.65971 -20.9823 -23.2223 -20.9824 48.6592 -24.825 -23.2223 -24.825 -16.1982 GPRESSAVG: 2207200 -5.41048 -21.8895 -25.1412 -24.693 48.5535 -23.4602 -22.7379 -23.871 -16.4074 TIMING: 2207200 CPU: 6896.98, 0.00311459/step Wall: 6896.98, 0.00311459/step, 2.41623 hours remaining, 235.667969 MB of memory in use. ENERGY: 2207200 3984.3956 20398.4367 14484.5769 249.7225 -203328.9109 2810.4231 0.0000 0.0000 52326.3323 -109075.0237 300.7202 -161401.3560 -108705.6127 299.6104 -318.7311 -287.9155 762463.7016 8.9338 8.9119 PRESSURE: 2207400 33.0954 -77.5048 -47.3035 -77.5048 58.3094 55.8134 -47.3042 55.813 123.014 GPRESSURE: 2207400 153.929 -53.5354 -3.52815 -75.1327 -15.8536 -2.94565 53.9507 21.1658 144.741 PRESSAVG: 2207400 47.1673 -28.3073 4.92803 -28.3073 8.68031 11.4794 4.92801 11.4794 4.30219 GPRESSAVG: 2207400 45.9559 -28.7212 7.10412 -26.9699 9.23344 11.5038 5.29645 12.818 4.57917 TIMING: 2207400 CPU: 6897.61, 0.00314101/step Wall: 6897.61, 0.00314101/step, 2.43655 hours remaining, 235.667969 MB of memory in use. ENERGY: 2207400 4020.5923 20645.0011 14450.9686 262.5723 -203276.0137 2878.6411 0.0000 0.0000 52130.4697 -108887.7688 299.5945 -161018.2385 -108524.2065 300.3025 71.4731 94.2722 764346.5365 20.0499 19.9228 PRESSURE: 2207600 147.145 -229.523 -49.8201 -229.523 -136.328 -63.8382 -49.8201 -63.8371 190.924 GPRESSURE: 2207600 252.782 -164.638 -38.6277 -207.762 -208.818 2.13912 -8.04697 -121.202 232 PRESSAVG: 2207600 -17.5848 -38.3641 37.722 -38.3641 2.96211 6.96744 37.722 6.96738 -10.1122 GPRESSAVG: 2207600 -16.595 -37.5351 38.0002 -38.5402 2.06941 6.22141 36.9426 7.44974 -9.82177 TIMING: 2207600 CPU: 6898.24, 0.00312714/step Wall: 6898.24, 0.00312714/step, 2.42562 hours remaining, 235.667969 MB of memory in use. ENERGY: 2207600 3989.2211 20686.5247 14523.9822 243.4722 -203614.3211 2893.6556 0.0000 0.0000 52298.8438 -108978.6214 300.5622 -161277.4652 -108609.8791 300.1105 67.2470 91.9879 762022.4747 -8.2450 -8.1158 PRESSURE: 2207800 -175.726 -55.4776 115.631 -55.4777 -31.4146 32.196 115.631 32.1962 -118.062 GPRESSURE: 2207800 -202.361 -68.3852 172.293 -81.3368 29.4974 26.4457 -6.80248 1.87211 -71.3996 PRESSAVG: 2207800 -15.2847 16.9756 22.4071 16.9756 18.4163 8.51478 22.4071 8.51477 -3.13716 GPRESSAVG: 2207800 -16.1352 16.4106 21.8743 17.0709 18.013 7.72613 22.252 8.08069 -1.66154 TIMING: 2207800 CPU: 6898.86, 0.00311226/step Wall: 6898.86, 0.00311226/step, 2.4139 hours remaining, 235.667969 MB of memory in use. ENERGY: 2207800 3994.3383 20566.6747 14500.1238 247.7109 -203001.3212 2583.7170 0.0000 0.0000 52070.0090 -109038.7476 299.2471 -161108.7565 -108669.1011 299.9871 -108.4007 -81.4212 762997.6669 -0.0018 0.0721 PRESSURE: 2208000 -265.981 197.334 -69.886 197.334 27.369 188.658 -69.8857 188.658 -61.2774 GPRESSURE: 2208000 -251.84 205.623 -40.635 244.501 55.9972 274.566 -23.0482 219.435 -36.8247 PRESSAVG: 2208000 -25.2753 32.9113 -36.1231 32.9114 22.351 13.5386 -36.1231 13.5386 -15.3449 GPRESSAVG: 2208000 -25.3419 33.0127 -35.1114 33.3849 23.4289 13.9932 -34.5532 13.2406 -16.4231 TIMING: 2208000 CPU: 6899.48, 0.00313072/step Wall: 6899.48, 0.00313072/step, 2.42805 hours remaining, 235.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2208000 3983.3288 20464.7525 14438.3355 245.9007 -203336.3906 2601.4295 0.0000 0.0000 52334.9400 -109267.7034 300.7696 -161602.6434 -108893.7663 299.0008 -99.9631 -77.5557 762723.9440 -6.0897 -6.1121 PRESSURE: 2208200 -82.9389 0.292477 134.999 0.292375 175.682 -92.5522 134.999 -92.5508 -93.8577 GPRESSURE: 2208200 -23.0006 97.3205 111.018 -64.775 243.373 -141.451 54.823 -101.502 -137.341 PRESSAVG: 2208200 -21.8929 -34.1498 25.7336 -34.1498 -6.53942 59.5574 25.7335 59.5574 16.5415 GPRESSAVG: 2208200 -21.7315 -32.9754 24.2711 -33.1666 -6.92492 60.5892 22.3665 59.6152 16.1353 TIMING: 2208200 CPU: 6900.11, 0.0031157/step Wall: 6900.11, 0.0031157/step, 2.41623 hours remaining, 235.667969 MB of memory in use. ENERGY: 2208200 3975.7017 20444.2974 14487.4392 235.3569 -203226.2610 2662.1090 0.0000 0.0000 52004.8226 -109416.5342 298.8724 -161421.3568 -109051.3354 299.3161 -0.3716 27.6772 761949.7491 -3.9636 -4.1737 LDB: ============= START OF LOAD BALANCING ============== 6912.59 LDB: ============== END OF LOAD BALANCING =============== 6912.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6912.59 LDB: ============= START OF LOAD BALANCING ============== 6912.9 LDB: Largest compute 7030 load 0.030033 is 15.4% of average load 0.194911 LDB: Average compute 0.004424 is 2.3% of average load 0.194911 LDB: TIME 6912.91 LOAD: AVG 0.194911 MAX 0.214429 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.309 MB LDB: TIME 6912.91 LOAD: AVG 0.194911 MAX 0.214429 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.512 MB LDB: TIME 6912.91 LOAD: AVG 0.194911 MAX 0.214429 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.512 MB LDB: ============== END OF LOAD BALANCING =============== 6912.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6912.91 PRESSURE: 2208400 30.4246 -42.3456 -30.8301 -42.3471 -339.17 -170.475 -30.8305 -170.475 -51.695 GPRESSURE: 2208400 -8.62365 -126.951 -49.8226 -60.103 -191.469 -207.501 54.4216 -105.619 -46.7572 PRESSAVG: 2208400 -57.8338 -22.7404 20.667 -22.7404 62.4859 22.7786 20.667 22.7786 -8.96124 GPRESSAVG: 2208400 -58.0774 -22.0082 21.9929 -24.1819 62.6151 20.9945 21.9615 22.1351 -8.56654 TIMING: 2208400 CPU: 6900.75, 0.0032042/step Wall: 6900.75, 0.0032042/step, 2.48468 hours remaining, 233.160156 MB of memory in use. ENERGY: 2208400 4033.6287 20564.7075 14451.3297 247.5821 -203822.4987 3152.8831 0.0000 0.0000 51914.2606 -109458.1070 298.3520 -161372.3676 -109096.5370 298.2424 -120.1469 -82.2831 763365.3592 -1.4364 -1.3430 PRESSURE: 2208600 234.194 -156.361 -150.415 -156.362 124.55 100.952 -150.415 100.952 26.8772 GPRESSURE: 2208600 223.86 -127.607 -101.687 -82.9197 229.833 149.111 -106.846 138.954 20.6994 PRESSAVG: 2208600 -10.0967 -35.0165 -8.31494 -35.0165 44.9609 36.7831 -8.31498 36.7831 8.32616 GPRESSAVG: 2208600 -9.88355 -33.6036 -8.27779 -35.338 46.037 38.7145 -7.6481 37.8613 8.06445 TIMING: 2208600 CPU: 6901.37, 0.00310642/step Wall: 6901.37, 0.00310642/step, 2.40868 hours remaining, 233.160156 MB of memory in use. ENERGY: 2208600 3948.6693 20285.3959 14422.9027 239.1343 -203658.4973 3150.3691 0.0000 0.0000 52152.6563 -109459.3696 299.7220 -161612.0260 -109093.2249 298.9283 128.5404 158.1307 762517.5478 14.3968 14.7393 PRESSURE: 2208800 125.746 -159.055 -151.747 -159.054 42.1161 -61.5621 -151.746 -61.5629 162.395 GPRESSURE: 2208800 179.241 -158.422 -79.1308 -165.092 29.3655 -147.264 -103.575 -143.958 198.023 PRESSAVG: 2208800 20.8651 -0.693597 -11.0611 -0.693629 -10.1519 -11.4998 -11.0611 -11.4999 7.58125 GPRESSAVG: 2208800 22.3397 -4.84898 -11.6701 0.986004 -11.7866 -11.8059 -12.0043 -11.4967 7.22118 TIMING: 2208800 CPU: 6901.99, 0.00310287/step Wall: 6901.99, 0.00310287/step, 2.40576 hours remaining, 233.160156 MB of memory in use. ENERGY: 2208800 4051.3488 20514.0349 14415.9951 241.1764 -203494.4377 2922.2504 0.0000 0.0000 52124.1188 -109225.5133 299.5580 -161349.6321 -108854.4341 298.9864 110.0859 135.5430 763210.7764 6.0981 5.9247 PRESSURE: 2209000 -62.7933 -217.36 -399.194 -217.359 -62.5152 -213.819 -399.194 -213.819 191.924 GPRESSURE: 2209000 -44.2731 -73.3187 -360.823 -142.488 -13.0983 -277.365 -369.983 -265.861 198.078 PRESSAVG: 2209000 7.74963 27.2171 -58.7126 27.2171 30.3432 -7.12906 -58.7126 -7.1291 -20.8556 GPRESSAVG: 2209000 5.63721 29.1655 -59.4267 27.6552 31.7014 -7.33511 -56.9344 -8.88597 -19.988 TIMING: 2209000 CPU: 6902.61, 0.00312254/step Wall: 6902.61, 0.00312254/step, 2.42084 hours remaining, 233.160156 MB of memory in use. ENERGY: 2209000 3974.8147 20456.1764 14495.4824 253.2368 -203358.5934 2756.5159 0.0000 0.0000 52065.0798 -109357.2874 299.2187 -161422.3672 -108989.6111 298.9980 22.2050 46.9023 761295.7613 5.7457 5.7835 PRESSURE: 2209200 110.129 89.4298 -59.821 89.4296 168.406 325.024 -59.8212 325.024 -519.376 GPRESSURE: 2209200 144.996 -2.49905 44.7626 -11.803 233.673 339.848 -116.702 217.104 -521.155 PRESSAVG: 2209200 20.0983 -0.190959 -87.9807 -0.190985 3.68124 20.2113 -87.9807 20.2112 33.2322 GPRESSAVG: 2209200 21.5432 -1.22718 -88.3158 -0.746919 2.6866 19.416 -91.2284 21.9441 32.7024 TIMING: 2209200 CPU: 6903.24, 0.00312741/step Wall: 6903.24, 0.00312741/step, 2.42443 hours remaining, 233.160156 MB of memory in use. ENERGY: 2209200 4015.0239 20647.9964 14505.7639 260.2125 -203359.1556 2793.2260 0.0000 0.0000 51840.1805 -109296.7523 297.9262 -161136.9329 -108933.9131 299.0255 -80.2805 -47.4953 762051.2241 19.0039 18.9774 PRESSURE: 2209400 -340.4 81.1482 2.29487 81.1485 -179.299 120.006 2.29516 120.006 -136.056 GPRESSURE: 2209400 -230.996 13.6618 -82.4383 115.137 -205.053 125.132 23.5941 174.724 -126.479 PRESSAVG: 2209400 -10.8998 21.0726 -46.7839 21.0726 3.59096 32.0991 -46.7839 32.0991 -8.72107 GPRESSAVG: 2209400 -11.6377 23.4499 -46.8944 19.9295 3.98775 31.2565 -41.972 32.4578 -8.80806 TIMING: 2209400 CPU: 6903.87, 0.00312767/step Wall: 6903.87, 0.00312767/step, 2.42446 hours remaining, 233.160156 MB of memory in use. ENERGY: 2209400 4122.5900 20517.4959 14464.0841 254.8925 -203604.9490 2897.6895 0.0000 0.0000 52028.6191 -109319.5780 299.0092 -161348.1971 -108956.3692 298.7905 -218.5850 -187.5093 763734.9702 -5.3433 -5.4860 PRESSURE: 2209600 -377.446 45.6482 70.4212 45.6484 -255.042 44.176 70.4213 44.1754 -227.742 GPRESSURE: 2209600 -269.595 89.3109 25.7875 51.0526 -230.442 -9.91098 -33.4651 49.0729 -291.345 PRESSAVG: 2209600 24.3159 -17.2128 -13.1228 -17.2128 -34.0974 7.46885 -13.1228 7.46894 -5.53849 GPRESSAVG: 2209600 24.2904 -19.0573 -12.228 -15.0587 -34.3526 7.97988 -16.9222 6.73442 -5.35555 TIMING: 2209600 CPU: 6904.49, 0.00312705/step Wall: 6904.49, 0.00312705/step, 2.42381 hours remaining, 233.160156 MB of memory in use. ENERGY: 2209600 4008.8171 20550.6229 14486.1160 247.9625 -203087.1633 2634.2235 0.0000 0.0000 51728.3245 -109431.0968 297.2834 -161159.4213 -109074.8189 298.5283 -286.7433 -263.7939 765758.0457 -5.1067 -5.1393 PRESSURE: 2209800 -267.731 -10.4891 -127.997 -10.4893 -219.619 273.1 -127.997 273.1 -248.182 GPRESSURE: 2209800 -188.381 17.5932 -201.743 40.8612 -165.698 421.031 -56.9588 197.833 -308.664 PRESSAVG: 2209800 4.95238 -50.7912 -25.0037 -50.7911 -8.44682 24.1229 -25.0036 24.1229 12.7031 GPRESSAVG: 2209800 4.17095 -48.7033 -26.6511 -49.7001 -8.30002 25.531 -22.6351 24.1926 13.517 TIMING: 2209800 CPU: 6905.12, 0.00313922/step Wall: 6905.12, 0.00313922/step, 2.43307 hours remaining, 233.160156 MB of memory in use. ENERGY: 2209800 4032.7490 20520.1341 14498.4450 254.2326 -203090.5330 2469.7023 0.0000 0.0000 51957.7430 -109357.5270 298.6019 -161315.2700 -109003.0037 298.3566 -245.1775 -220.9145 762694.5353 3.0696 3.1293 PRESSURE: 2210000 -174.355 -104.299 -27.846 -104.299 58.2625 130.924 -27.8468 130.924 -34.8119 GPRESSURE: 2210000 -118.624 -35.1622 -25.9977 -64.323 63.9322 32.3522 10.5913 105.914 -21.947 PRESSAVG: 2210000 -17.4873 -31.6611 -21.1818 -31.6611 62.7344 10.3136 -21.1819 10.3135 -32.5049 GPRESSAVG: 2210000 -16.5399 -31.6951 -20.6957 -33.5163 62.9229 11.4326 -23.3487 8.60444 -33.7523 TIMING: 2210000 CPU: 6905.75, 0.00313793/step Wall: 6905.75, 0.00313793/step, 2.4319 hours remaining, 233.160156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2210000 3983.0004 20653.1093 14410.8856 238.4072 -203016.6468 2743.4580 0.0000 0.0000 51581.6283 -109406.1580 296.4403 -160987.7863 -109057.5161 298.4138 -50.3013 -25.5462 764230.7961 4.2474 4.2102 PRESSURE: 2210200 -2.14 59.8099 -4.99902 59.8094 311.061 123.88 -4.99932 123.879 83.5679 GPRESSURE: 2210200 67.0763 95.0503 -66.2197 155.571 323.281 247.221 -60.7606 74.0467 80.3299 PRESSAVG: 2210200 18.0374 0.0206648 -4.63009 0.0207005 -6.90476 -19.0311 -4.63011 -19.0311 13.0153 GPRESSAVG: 2210200 18.0473 -0.40453 -5.49756 1.85014 -7.55861 -20.9943 -3.51828 -19.368 12.9985 TIMING: 2210200 CPU: 6906.37, 0.00313905/step Wall: 6906.37, 0.00313905/step, 2.43259 hours remaining, 233.160156 MB of memory in use. ENERGY: 2210200 4028.7945 20355.2985 14447.0445 256.0833 -203395.5399 2994.1198 0.0000 0.0000 51985.1559 -109329.0434 298.7594 -161314.1993 -108961.2963 298.1807 130.8297 156.8956 764443.7223 8.0493 7.8291 PRESSURE: 2210400 -422.828 -183.044 -335.672 -183.045 -24.6342 85.7339 -335.672 85.7345 45.5174 GPRESSURE: 2210400 -362.736 -145.459 -366.88 -186.798 -29.5729 93.1722 -227.528 14.7823 73.9756 PRESSAVG: 2210400 -16.1696 13.7154 0.231792 13.7153 22.0723 46.0927 0.23177 46.0928 4.50038 GPRESSAVG: 2210400 -16.1772 15.6493 0.480074 11.9496 21.4561 46.005 -0.326095 47.5742 4.89084 TIMING: 2210400 CPU: 6907.01, 0.0031557/step Wall: 6907.01, 0.0031557/step, 2.44531 hours remaining, 233.160156 MB of memory in use. ENERGY: 2210400 3957.4954 20462.3961 14338.0850 267.8789 -202950.5977 2637.4509 0.0000 0.0000 51874.3525 -109412.9389 298.1226 -161287.2914 -109055.4668 298.7507 -133.9815 -106.1110 763758.2957 3.4677 3.3899 PRESSURE: 2210600 287.054 -76.8739 -111.468 -76.8737 144.702 123.481 -111.467 123.48 -202.96 GPRESSURE: 2210600 266.182 -85.876 -151.233 -82.2143 159.23 143.924 -167.454 146.534 -112.7 PRESSAVG: 2210600 0.0866812 -22.358 -18.7533 -22.358 -26.6972 6.89819 -18.7533 6.89818 -4.36465 GPRESSAVG: 2210600 0.446537 -25.3799 -18.8416 -20.9902 -27.4987 7.35834 -16.7915 5.55925 -3.57348 TIMING: 2210600 CPU: 6907.63, 0.00312094/step Wall: 6907.63, 0.00312094/step, 2.41821 hours remaining, 233.160156 MB of memory in use. ENERGY: 2210600 3948.1441 20511.5002 14384.0520 245.8700 -203063.9233 2757.9554 0.0000 0.0000 51772.3777 -109444.0239 297.5366 -161216.4016 -109082.8168 297.8642 76.2654 104.2375 764050.5074 -10.3250 -10.2085 PRESSURE: 2210800 -139.104 -159.605 -54.8702 -159.606 -191.449 -91.6399 -54.8701 -91.6403 363.886 GPRESSURE: 2210800 -51.2764 -95.7714 -45.8809 -144.536 -167.086 -98.5935 30.3263 -46.9248 329.963 PRESSAVG: 2210800 -13.1302 -51.0808 -52.9729 -51.0808 2.94691 -55.1365 -52.9729 -55.1364 -4.82643 GPRESSAVG: 2210800 -14.2465 -49.9544 -50.8426 -51.0253 3.8075 -54.4112 -55.5732 -51.946 -4.44636 TIMING: 2210800 CPU: 6908.26, 0.00313529/step Wall: 6908.26, 0.00313529/step, 2.42915 hours remaining, 233.160156 MB of memory in use. ENERGY: 2210800 3944.5068 20495.5433 14512.2023 249.1838 -203237.4561 2684.5093 0.0000 0.0000 51874.1285 -109477.3822 298.1213 -161351.5107 -109117.8499 298.5097 11.1110 37.2001 762671.5521 -5.0032 -4.9618 PRESSURE: 2211000 -58.2455 -188.478 -36.6502 -188.478 -84.0485 -14.1027 -36.6497 -14.103 72.184 GPRESSURE: 2211000 -70.9663 -173.419 -41.3367 -156.156 -19.8044 8.02673 58.5565 144.433 106.664 PRESSAVG: 2211000 -29.6263 -19.1214 -28.3667 -19.1214 61.7059 3.92389 -28.3666 3.92394 -4.53033 GPRESSAVG: 2211000 -28.6265 -18.9856 -29.102 -19.7723 60.4172 0.181075 -27.1628 3.91841 -3.84286 TIMING: 2211000 CPU: 6908.88, 0.00312458/step Wall: 6908.88, 0.00312458/step, 2.42068 hours remaining, 233.160156 MB of memory in use. ENERGY: 2211000 4045.2722 20334.2285 14534.6997 235.7217 -203381.6007 2592.8456 0.0000 0.0000 52219.3014 -109419.5316 300.1050 -161638.8330 -109056.4475 298.2982 -23.3700 5.2976 762537.2654 9.1831 9.3159 PRESSURE: 2211200 48.7342 -349.601 270.44 -349.602 -186.662 -87.5637 270.44 -87.5634 -14.2865 GPRESSURE: 2211200 48.455 -259.703 303.73 -349.875 -95.6577 -91.2415 115.84 -107.969 -5.54989 PRESSAVG: 2211200 -13.1592 -78.5487 2.00656 -78.5487 3.1941 40.1426 2.00655 40.1426 -0.165529 GPRESSAVG: 2211200 -13.1682 -78.3137 2.55354 -77.9721 4.23673 44.3522 1.56569 38.0598 -0.938257 TIMING: 2211200 CPU: 6909.5, 0.00311349/step Wall: 6909.5, 0.00311349/step, 2.41191 hours remaining, 233.160156 MB of memory in use. ENERGY: 2211200 3911.5441 20462.8413 14443.4216 252.1513 -203075.5451 2828.7791 0.0000 0.0000 51784.7608 -109392.0468 297.6077 -161176.8076 -109038.2535 298.7040 -50.7380 -17.5842 763339.2694 -3.3769 -3.2899 PRESSURE: 2211400 73.8994 -61.0536 -174.683 -61.0543 -366.383 -71.9229 -174.683 -71.9236 -364.152 GPRESSURE: 2211400 61.8612 -131.325 -142.9 -139.033 -347.356 -57.5121 -186.565 20.2952 -267.973 PRESSAVG: 2211400 6.69641 -3.96682 -14.8355 -3.96677 2.96076 -10.2281 -14.8355 -10.2281 -12.7774 GPRESSAVG: 2211400 7.47341 -3.6598 -15.187 -7.48087 2.96626 -12.3039 -15.6089 -10.6269 -12.8767 TIMING: 2211400 CPU: 6910.13, 0.00311755/step Wall: 6910.13, 0.00311755/step, 2.41489 hours remaining, 233.160156 MB of memory in use. ENERGY: 2211400 3999.8709 20403.7607 14462.9082 253.7813 -203308.0007 2742.2864 0.0000 0.0000 52086.3919 -109359.0012 299.3412 -161445.3931 -109006.3128 298.7477 -218.8788 -184.4893 762817.6846 -1.0401 -0.8124 PRESSURE: 2211600 -379.348 117.714 112.28 117.714 169.53 79.3645 112.279 79.3644 -235.517 GPRESSURE: 2211600 -328.983 153.044 77.7585 78.5743 198.232 49.2033 139.721 199.468 -233.044 PRESSAVG: 2211600 5.36245 -29.8652 -23.5629 -29.8651 17.9228 -19.2994 -23.5628 -19.2994 16.2309 GPRESSAVG: 2211600 4.99209 -30.65 -25.4753 -25.9232 18.0662 -18.9723 -20.7447 -17.8856 16.4713 TIMING: 2211600 CPU: 6910.75, 0.00311778/step Wall: 6910.75, 0.00311778/step, 2.4149 hours remaining, 233.160156 MB of memory in use. ENERGY: 2211600 4000.6654 20425.9645 14486.7312 248.5802 -203366.4819 2959.8082 0.0000 0.0000 51778.5523 -109466.1802 297.5721 -161244.7325 -109112.7186 298.2989 -148.4451 -121.2649 764521.2572 13.1720 13.1765 PRESSURE: 2211800 -95.3175 -306.372 -24.1323 -306.371 237.339 -66.1073 -24.1322 -66.1071 -185.024 GPRESSURE: 2211800 -45.8273 -307.337 -46.1498 -229.151 222.671 9.93229 -32.8718 -124.736 -148.984 PRESSAVG: 2211800 -56.3051 2.20303 10.9996 2.20308 -11.0694 39.2947 10.9995 39.2947 23.7213 GPRESSAVG: 2211800 -56.344 1.8038 13.8145 0.725319 -10.386 38.6666 7.80806 39.0965 23.4312 TIMING: 2211800 CPU: 6911.37, 0.00310607/step Wall: 6911.37, 0.00310607/step, 2.40565 hours remaining, 233.160156 MB of memory in use. ENERGY: 2211800 3949.5670 20477.2619 14489.6208 242.2590 -203363.1819 2922.2980 0.0000 0.0000 51855.3621 -109426.8130 298.0135 -161282.1751 -109072.8462 298.2755 -14.3341 9.2865 763260.5613 -14.5511 -14.4329 PRESSURE: 2212000 301.747 197.017 18.2124 197.017 332.483 50.741 18.2121 50.7422 -57.0618 GPRESSURE: 2212000 232.28 72.084 -25.9888 374.414 388.441 -22.09 111.626 155.368 35.4832 PRESSAVG: 2212000 -2.03708 -11.2407 8.43809 -11.2407 44.1556 23.8 8.43806 23.8 37.4876 GPRESSAVG: 2212000 -2.44092 -11.3792 6.01385 -10.8245 44.0343 23.7049 10.3471 23.1374 38.6029 TIMING: 2212000 CPU: 6912, 0.00311891/step Wall: 6912, 0.00311891/step, 2.41542 hours remaining, 233.160156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2212000 3954.4030 20456.8003 14535.6958 251.8901 -203501.7031 3099.4387 0.0000 0.0000 51738.1834 -109465.2919 297.3401 -161203.4753 -109099.3408 298.2590 192.3894 218.7345 763185.2441 26.5354 26.7321 PRESSURE: 2212200 -310.444 101.96 8.83577 101.959 -139.169 -158.29 8.8363 -158.289 71.9156 GPRESSURE: 2212200 -251.423 128.023 -27.7245 -19.7463 -122.266 -98.7649 84.261 -222.091 60.3098 PRESSAVG: 2212200 -58.1836 2.73935 20.9218 2.73936 55.3786 -59.8697 20.9219 -59.8697 4.4942 GPRESSAVG: 2212200 -57.1536 2.18987 21.2811 3.77528 55.8477 -58.7683 18.782 -59.7062 3.16229 TIMING: 2212200 CPU: 6912.62, 0.00310666/step Wall: 6912.62, 0.00310666/step, 2.40576 hours remaining, 233.160156 MB of memory in use. ENERGY: 2212200 4061.1200 20426.7919 14465.4494 262.3104 -203199.6365 2559.9914 0.0000 0.0000 52102.5139 -109321.4594 299.4339 -161423.9733 -108960.7212 298.1738 -125.8992 -104.4597 764262.1673 0.5631 0.6188 LDB: ============= START OF LOAD BALANCING ============== 6925.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6925.1 LDB: =============== DONE WITH MIGRATION ================ 6925.1 LDB: ============= START OF LOAD BALANCING ============== 6925.41 LDB: Largest compute 7031 load 0.030912 is 15.8% of average load 0.195055 LDB: Average compute 0.004410 is 2.3% of average load 0.195055 LDB: TIME 6925.41 LOAD: AVG 0.195055 MAX 0.215354 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.953 MB LDB: TIME 6925.41 LOAD: AVG 0.195055 MAX 0.215354 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.047 MB LDB: TIME 6925.41 LOAD: AVG 0.195055 MAX 0.215354 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.047 MB LDB: ============== END OF LOAD BALANCING =============== 6925.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6925.42 PRESSURE: 2212400 46.6475 -52.938 -203.394 -52.9377 -97.353 -218.165 -203.394 -218.167 -75.0651 GPRESSURE: 2212400 58.882 -89.2969 -174.593 -92.3303 -44.8516 -151.247 -198.83 -96.0974 -59.1788 PRESSAVG: 2212400 -64.3932 -40.5686 20.6984 -40.5686 53.3701 -4.08508 20.6984 -4.08511 9.58386 GPRESSAVG: 2212400 -65.0524 -39.0472 21.4059 -44.3984 53.9227 -5.08861 21.2693 -5.59249 9.91947 TIMING: 2212400 CPU: 6913.25, 0.00317807/step Wall: 6913.25, 0.00317807/step, 2.46089 hours remaining, 235.535156 MB of memory in use. ENERGY: 2212400 4002.7780 20324.6976 14486.3403 259.0401 -203151.6530 2608.6243 0.0000 0.0000 52234.8439 -109235.3287 300.1944 -161470.1727 -108873.5416 299.1710 -41.9235 -15.0495 762287.4079 -0.4797 -0.4034 PRESSURE: 2212600 422.069 -244.824 -118.92 -244.824 190.246 11.0518 -118.92 11.0524 -46.282 GPRESSURE: 2212600 337.161 -156.33 -92.5902 -302.29 307.015 42.3821 -13.1062 72.3067 13.3352 PRESSAVG: 2212600 32.0134 -23.1838 18.7895 -23.1837 46.2088 -2.72916 18.7894 -2.72915 -5.95549 GPRESSAVG: 2212600 32.3285 -23.5906 18.5366 -22.5847 45.2694 -1.63009 19.954 -2.40805 -6.06218 TIMING: 2212600 CPU: 6913.87, 0.00309711/step Wall: 6913.87, 0.00309711/step, 2.39803 hours remaining, 235.535156 MB of memory in use. ENERGY: 2212600 3966.9339 20560.4118 14508.6035 234.2745 -203808.9684 3070.0519 0.0000 0.0000 52265.5865 -109203.1062 300.3710 -161468.6928 -108854.8962 299.0856 188.6777 219.1706 762203.4258 24.0889 23.8452 PRESSURE: 2212800 92.1426 -108.321 78.6177 -108.32 -99.84 -35.2685 78.6173 -35.2687 394.356 GPRESSURE: 2212800 189.861 -60.8441 85.5878 -81.4041 -60.316 -33.2947 24.2484 -36.276 339.288 PRESSAVG: 2212800 -7.36622 -78.989 -17.9055 -78.989 38.0242 -36.9385 -17.9054 -36.9384 11.6939 GPRESSAVG: 2212800 -7.45641 -79.5208 -15.5748 -77.5908 37.8229 -36.2681 -20.941 -36.0106 11.9815 TIMING: 2212800 CPU: 6914.5, 0.0031238/step Wall: 6914.5, 0.0031238/step, 2.41851 hours remaining, 235.535156 MB of memory in use. ENERGY: 2212800 4037.7508 20514.2871 14456.6611 254.0893 -203569.5971 2806.1298 0.0000 0.0000 52111.3096 -109389.3693 299.4844 -161500.6790 -109039.6478 299.4988 128.8863 156.2775 761338.0709 14.1173 14.1160 PRESSURE: 2213000 278.074 40.96 90.4517 40.9589 165.149 15.8903 90.4526 15.8901 279.769 GPRESSURE: 2213000 369.603 59.5697 57.0232 19.0646 112.477 50.2548 95.3731 36.9469 315.118 PRESSAVG: 2213000 -6.88361 10.3304 15.7532 10.3304 -2.96866 -2.10919 15.7532 -2.10921 12.9996 GPRESSAVG: 2213000 -6.80055 9.21935 14.1573 8.62729 -2.85314 -4.06047 18.8127 -2.02979 12.9801 TIMING: 2213000 CPU: 6915.12, 0.0031112/step Wall: 6915.12, 0.0031112/step, 2.40859 hours remaining, 235.535156 MB of memory in use. ENERGY: 2213000 3924.2304 20575.9546 14494.3852 253.3796 -203206.7087 2637.4692 0.0000 0.0000 52062.4282 -109258.8616 299.2035 -161321.2898 -108888.7234 298.9876 240.9972 265.7327 760901.1964 1.0491 1.1088 PRESSURE: 2213200 -82.9328 -140.209 62.4352 -140.209 94.9833 -98.1973 62.4353 -98.1977 86.7316 GPRESSURE: 2213200 -46.3609 -102.336 75.5481 -36.6545 76.5319 -165.599 117.179 -17.9382 146.152 PRESSAVG: 2213200 -64.6217 11.6838 22.8003 11.6839 33.1266 -19.2636 22.8002 -19.2637 31.6247 GPRESSAVG: 2213200 -65.0888 13.6702 22.971 13.6658 32.4294 -18.7259 22.8085 -19.4631 32.37 TIMING: 2213200 CPU: 6915.74, 0.00309978/step Wall: 6915.74, 0.00309978/step, 2.39957 hours remaining, 235.535156 MB of memory in use. ENERGY: 2213200 3985.0503 20365.6898 14446.3245 236.8703 -203119.6864 2701.7682 0.0000 0.0000 51922.8211 -109461.1623 298.4012 -161383.9834 -109109.7307 298.8532 32.9274 58.7744 762400.3930 0.0432 -0.0964 PRESSURE: 2213400 188.37 -125.114 18.3645 -125.116 -105.952 -89.2879 18.3652 -89.2889 -155.889 GPRESSURE: 2213400 162.61 -53.3134 8.18249 -240.143 -61.0437 -118.868 109.002 -167.749 -76.4199 PRESSAVG: 2213400 -29.6636 26.4521 23.597 26.452 34.6103 -13.3789 23.597 -13.379 15.716 GPRESSAVG: 2213400 -28.893 26.1645 22.1619 25.4548 35.4002 -13.0337 22.2895 -12.1176 14.97 TIMING: 2213400 CPU: 6916.36, 0.00309527/step Wall: 6916.36, 0.00309527/step, 2.39591 hours remaining, 235.535156 MB of memory in use. ENERGY: 2213400 3870.8103 20395.2858 14461.2627 270.2937 -202762.5967 2487.9839 0.0000 0.0000 52144.0393 -109132.9209 299.6725 -161276.9602 -108764.8486 298.8812 -24.4903 8.3819 762087.1012 6.8876 7.1591 PRESSURE: 2213600 -96.7682 -179.328 42.9903 -179.328 -5.23656 7.75113 42.9901 7.75123 220.447 GPRESSURE: 2213600 -117.644 -197.098 -34.5208 -124.241 65.9731 27.9328 16.9913 -85.3255 249.664 PRESSAVG: 2213600 1.50733 -6.71948 -3.55749 -6.71949 9.49055 -35.9745 -3.55741 -35.9745 2.70083 GPRESSAVG: 2213600 0.255638 -5.97202 -2.88321 -7.64795 8.55473 -37.8025 -4.46394 -37.3284 4.06718 TIMING: 2213600 CPU: 6916.97, 0.00307894/step Wall: 6916.97, 0.00307894/step, 2.3831 hours remaining, 235.535156 MB of memory in use. ENERGY: 2213600 3936.7557 20429.1831 14492.8607 250.7169 -202909.1011 2747.6091 0.0000 0.0000 52155.0399 -108896.9358 299.7357 -161051.9756 -108536.9892 299.4978 39.4808 65.9977 762565.0835 4.5662 4.2925 PRESSURE: 2213800 112.21 37.2872 181.387 37.2877 7.7245 -0.654763 181.388 -0.654215 -69.9184 GPRESSURE: 2213800 109.37 121.905 191.916 -67.2406 56.7452 -46.0605 211.454 -72.8007 -26.134 PRESSAVG: 2213800 -24.458 3.88181 18.8988 3.88182 39.992 0.885553 18.8988 0.885522 10.8478 GPRESSAVG: 2213800 -22.5011 2.77567 19.4955 4.21273 39.7644 2.80011 19.5012 1.43657 8.9557 TIMING: 2213800 CPU: 6917.59, 0.00309969/step Wall: 6917.59, 0.00309969/step, 2.39898 hours remaining, 235.535156 MB of memory in use. ENERGY: 2213800 3945.4123 20400.3821 14510.8094 264.1296 -202899.8077 2448.7605 0.0000 0.0000 52087.7210 -109242.5928 299.3488 -161330.3138 -108885.4804 299.1342 16.6721 46.6605 761912.1358 8.7939 8.7397 PRESSURE: 2214000 -2.78931 -222.445 -139.802 -222.446 -96.1499 197.203 -139.803 197.203 221.534 GPRESSURE: 2214000 -22.5109 -288.371 -167.911 -63.8706 42.5721 191.161 -33.5141 269.687 192.524 PRESSAVG: 2214000 -39.3489 8.75724 23.1821 8.75722 35.0965 -23.4801 23.1821 -23.4801 -2.20988 GPRESSAVG: 2214000 -40.9959 9.52531 22.141 9.81295 36.0032 -23.0789 24.6023 -24.109 -0.70315 TIMING: 2214000 CPU: 6918.22, 0.00310739/step Wall: 6918.22, 0.00310739/step, 2.40477 hours remaining, 235.535156 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: 2214000 3953.8251 20227.7422 14506.9966 275.8434 -203354.8341 2946.7190 0.0000 0.0000 52016.1377 -109427.5702 298.9375 -161443.7079 -109051.5723 298.7978 40.8650 70.8619 762173.5914 -2.1541 -1.8986 PRESSURE: 2214200 -8.97242 22.6874 70.3341 22.6873 -99.5866 -121.753 70.3337 -121.753 -135.692 GPRESSURE: 2214200 -15.3491 82.1906 87.14 45.089 -12.8696 -75.4031 148.681 -122.816 -128.677 PRESSAVG: 2214200 14.7889 9.48744 -13.8163 9.48745 1.08313 22.0478 -13.8164 22.0479 -12.0583 GPRESSAVG: 2214200 15.3069 8.009 -12.896 10.2302 1.34368 22.1408 -14.1032 23.2998 -13.1421 TIMING: 2214200 CPU: 6918.84, 0.00310617/step Wall: 6918.84, 0.00310617/step, 2.40366 hours remaining, 235.535156 MB of memory in use. ENERGY: 2214200 3964.3285 20606.1113 14511.5663 240.3024 -203176.4165 2736.7156 0.0000 0.0000 51711.9818 -109405.4105 297.1895 -161117.3923 -109065.3469 298.2389 -81.4169 -52.2985 762683.4060 1.2713 1.1695 PRESSURE: 2214400 -723.535 -168.187 89.0066 -168.188 -371.944 -139.112 89.0072 -139.113 -437.968 GPRESSURE: 2214400 -658.353 -98.1889 104.971 -239.154 -382.745 -135.542 186.042 -106.476 -409.801 PRESSAVG: 2214400 -94.2551 -2.89154 63.2301 -2.89149 73.2247 6.40081 63.23 6.40081 -6.49436 GPRESSAVG: 2214400 -95.1966 -1.13044 62.8356 -3.77801 73.6311 5.79556 63.3605 7.09483 -6.29751 TIMING: 2214400 CPU: 6919.46, 0.00311276/step Wall: 6919.46, 0.00311276/step, 2.40858 hours remaining, 235.535156 MB of memory in use. ENERGY: 2214400 4016.9648 20280.8310 14486.6421 232.0311 -202681.0548 2342.7180 0.0000 0.0000 51887.0612 -109434.8067 298.1957 -161321.8679 -109080.9093 298.3419 -511.1492 -483.6333 762800.8424 -9.1749 -9.2877 PRESSURE: 2214600 83.198 61.7998 65.9989 61.7996 41.4882 149.491 65.998 149.492 -329.895 GPRESSURE: 2214600 136.442 50.7881 22.3334 94.4162 24.9232 242.198 37.2469 143.804 -274.523 PRESSAVG: 2214600 -12.9795 -2.07713 32.3622 -2.07707 60.2175 -24.1009 32.3622 -24.101 2.03561 GPRESSAVG: 2214600 -12.4028 -2.04705 33.1946 -3.32688 58.7306 -24.8593 30.9875 -25.4156 2.64479 TIMING: 2214600 CPU: 6920.08, 0.00312135/step Wall: 6920.08, 0.00312135/step, 2.41506 hours remaining, 235.535156 MB of memory in use. ENERGY: 2214600 3973.8465 20527.7160 14499.0649 247.2088 -203696.6241 2920.0819 0.0000 0.0000 52133.8341 -109394.8718 299.6139 -161528.7059 -109031.2930 299.1026 -68.4028 -37.7196 761852.8172 16.4245 16.3242 PRESSURE: 2214800 209.572 30.7951 -68.2194 30.7944 27.2042 -179.929 -68.2197 -179.93 79.4762 GPRESSURE: 2214800 312.457 102.275 -26.5162 184.526 91.3772 -166.729 -75.7761 -149.408 3.29295 PRESSAVG: 2214800 17.0688 44.8825 -48.7387 44.8824 20.6443 -27.2475 -48.7387 -27.2476 19.8161 GPRESSAVG: 2214800 16.4832 43.6659 -50.5282 46.7688 22.4275 -26.8516 -49.7566 -27.5036 18.6677 TIMING: 2214800 CPU: 6920.72, 0.00316247/step Wall: 6920.72, 0.00316247/step, 2.4467 hours remaining, 235.535156 MB of memory in use. ENERGY: 2214800 3917.5509 20347.4508 14504.9338 236.2655 -203441.5903 3016.5648 0.0000 0.0000 52393.7832 -109025.0412 301.1078 -161418.8244 -108663.7857 299.6496 105.4176 135.7090 762795.3283 19.1764 19.1928 PRESSURE: 2215000 160.612 -166.672 -134.446 -166.672 49.7297 237.215 -134.446 237.215 30.2142 GPRESSURE: 2215000 115.451 -260.341 8.1717 -171.593 163.259 198.04 -151.138 58.8947 38.2162 PRESSAVG: 2215000 -15.8746 -56.1326 -60.2717 -56.1326 30.8611 9.2009 -60.2718 9.20084 -6.91 GPRESSAVG: 2215000 -15.5132 -53.9414 -58.4144 -58.4743 31.2723 8.17668 -59.2004 9.32445 -7.50214 TIMING: 2215000 CPU: 6921.35, 0.00314855/step Wall: 6921.35, 0.00314855/step, 2.43575 hours remaining, 235.535156 MB of memory in use. ENERGY: 2215000 3955.8720 20459.0663 14527.3048 254.1069 -203340.8503 3058.6164 0.0000 0.0000 51875.4678 -109210.4162 298.1290 -161085.8840 -108847.6287 299.4670 80.1853 105.6422 764396.1215 2.6922 2.7523 PRESSURE: 2215200 376.077 -202.085 -229.384 -202.086 -10.8215 -24.5244 -229.383 -24.5245 13.6767 GPRESSURE: 2215200 331.884 -81.9157 -128.057 -30.5469 22.4706 10.2051 -190.553 -65.5564 111.741 PRESSAVG: 2215200 -1.85354 6.30665 -28.3392 6.30662 34.5887 18.3165 -28.3391 18.3164 21.5871 GPRESSAVG: 2215200 -1.41249 4.51207 -29.1998 8.02743 33.723 20.1393 -28.3544 18.1602 21.6976 TIMING: 2215200 CPU: 6921.97, 0.00310572/step Wall: 6921.97, 0.00310572/step, 2.40245 hours remaining, 235.535156 MB of memory in use. ENERGY: 2215200 4041.2313 20498.0139 14465.5147 249.3359 -203287.5961 2883.0984 0.0000 0.0000 52154.4627 -108995.9392 299.7324 -161150.4019 -108634.5106 300.0720 126.3109 155.3653 763335.8030 18.1074 18.0027 PRESSURE: 2215400 -111.555 -51.5297 -287.716 -51.529 -284.611 33.6422 -287.716 33.6413 214.109 GPRESSURE: 2215400 -100.274 24.5569 -315.624 75.8054 -283.963 93.9955 -121.607 -31.5476 258.319 PRESSAVG: 2215400 -27.2472 13.0144 -19.523 13.0144 31.8799 30.3953 -19.5231 30.3954 5.05596 GPRESSAVG: 2215400 -29.2489 14.3837 -19.3111 11.5248 33.3075 30.7006 -18.027 30.2012 5.7577 TIMING: 2215400 CPU: 6922.59, 0.00311603/step Wall: 6922.59, 0.00311603/step, 2.41025 hours remaining, 235.535156 MB of memory in use. ENERGY: 2215400 4005.2432 20466.1284 14384.0881 231.3819 -203178.2238 2727.9412 0.0000 0.0000 51968.0343 -109395.4067 298.6610 -161363.4410 -109029.1530 299.0774 -60.6856 -41.9728 763032.6687 3.2296 3.2721 PRESSURE: 2215600 -191.636 -70.3695 76.1254 -70.3691 -139.303 -114.685 76.1247 -114.684 -28.7087 GPRESSURE: 2215600 -144.546 -48.6675 77.0112 -122.818 -49.7392 -236.097 105.969 -51.2923 -93.166 PRESSAVG: 2215600 -24.0628 5.37273 26.6477 5.37279 23.1187 28.878 26.6476 28.878 0.350275 GPRESSAVG: 2215600 -21.7693 5.26297 27.7978 6.36786 21.329 27.6634 23.3302 29.1727 -0.0337261 TIMING: 2215600 CPU: 6923.22, 0.003122/step Wall: 6923.22, 0.003122/step, 2.41469 hours remaining, 235.535156 MB of memory in use. ENERGY: 2215600 3973.0865 20499.4028 14500.7916 242.2353 -203026.5667 2605.8870 0.0000 0.0000 52013.1598 -109192.0036 298.9203 -161205.1634 -108831.5094 299.2178 -119.8825 -95.8170 763418.4484 -0.1979 -0.1580 PRESSURE: 2215800 -226.304 -4.28056 -103.826 -4.28143 -18.1577 -38.893 -103.827 -38.8933 -364.094 GPRESSURE: 2215800 -240.76 13.4258 -118.057 15.8245 -0.933773 84.552 -126.925 -107.147 -295.984 PRESSAVG: 2215800 -33.3992 -6.87347 -14.6824 -6.87347 65.2892 -21.8052 -14.6824 -21.8052 -6.21301 GPRESSAVG: 2215800 -34.1292 -7.93059 -14.7872 -6.97347 65.3619 -21.4602 -15.1379 -23.3303 -5.20795 TIMING: 2215800 CPU: 6923.84, 0.00313005/step Wall: 6923.84, 0.00313005/step, 2.42074 hours remaining, 235.535156 MB of memory in use. ENERGY: 2215800 4027.0672 20589.5333 14521.1434 248.1185 -203043.7608 2669.6664 0.0000 0.0000 51894.3831 -109093.8488 298.2377 -160988.2319 -108738.8984 299.1840 -202.8520 -179.2258 762502.7106 8.5590 8.6749 PRESSURE: 2216000 192.112 -161.246 -134.153 -161.247 259.711 -92.3342 -134.153 -92.3336 43.5979 GPRESSURE: 2216000 290.987 -200.105 -90.5235 -112.552 254.945 -62.3277 -268.651 -194.771 23.3469 PRESSAVG: 2216000 -2.92097 20.2908 26.0925 20.2908 11.7042 -22.519 26.0925 -22.519 7.6294 GPRESSAVG: 2216000 -1.08277 22.0776 24.854 20.6291 11.31 -22.2931 28.7367 -22.1952 6.27592 TIMING: 2216000 CPU: 6924.46, 0.00311507/step Wall: 6924.46, 0.00311507/step, 2.40899 hours remaining, 235.535156 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: 2216000 3953.8670 20455.5129 14459.3160 251.7126 -203021.6075 2612.1007 0.0000 0.0000 52286.0631 -109003.0352 300.4887 -161289.0983 -108634.8218 299.6566 165.1403 189.7597 763565.7792 5.4709 5.5010 PRESSURE: 2216200 -141.808 64.6265 -11.6986 64.6265 135.47 8.02494 -11.6989 8.02496 670.438 GPRESSURE: 2216200 -10.2107 -16.3776 -9.00513 2.93011 135.584 -5.29076 100.063 39.8036 590.235 PRESSAVG: 2216200 -47.547 -73.5259 2.76462 -73.526 63.2823 -16.8367 2.76455 -16.8366 -25.0119 GPRESSAVG: 2216200 -49.4023 -74.325 3.78253 -72.138 63.5851 -17.9058 0.0325992 -14.9728 -24.0376 TIMING: 2216200 CPU: 6925.08, 0.00310233/step Wall: 6925.08, 0.00310233/step, 2.39896 hours remaining, 235.535156 MB of memory in use. ENERGY: 2216200 4050.9488 20462.1850 14409.8928 268.4206 -203218.3855 2745.2949 0.0000 0.0000 52196.7584 -109084.8849 299.9755 -161281.6433 -108726.0775 299.1056 221.3669 238.5361 762381.7610 -3.0922 -3.2849 LDB: ============= START OF LOAD BALANCING ============== 6937.56 LDB: ============== END OF LOAD BALANCING =============== 6937.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6937.57 LDB: ============= START OF LOAD BALANCING ============== 6937.88 LDB: Largest compute 7078 load 0.030685 is 15.7% of average load 0.195092 LDB: Average compute 0.004412 is 2.3% of average load 0.195092 LDB: TIME 6937.88 LOAD: AVG 0.195092 MAX 0.21787 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.512 MB LDB: TIME 6937.88 LOAD: AVG 0.195092 MAX 0.21787 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.582 MB LDB: TIME 6937.88 LOAD: AVG 0.195092 MAX 0.216476 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.582 MB LDB: ============== END OF LOAD BALANCING =============== 6937.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6937.89 PRESSURE: 2216400 -85.7634 83.9754 124.42 83.9751 -268.946 23.8176 124.42 23.8181 -51.5193 GPRESSURE: 2216400 -5.64217 29.9183 142.475 107.875 -262.625 18.7312 70.2867 -25.5518 -50.8327 PRESSAVG: 2216400 -8.12334 -25.5512 2.63093 -25.5512 36.1492 -4.06613 2.63091 -4.06619 -7.58099 GPRESSAVG: 2216400 -8.13727 -27.1496 2.23163 -28.052 37.261 -3.31231 3.17685 -3.11417 -8.99789 TIMING: 2216400 CPU: 6925.72, 0.00317754/step Wall: 6925.72, 0.00317754/step, 2.45694 hours remaining, 234.050781 MB of memory in use. ENERGY: 2216400 3976.8371 20564.1902 14451.3702 229.1637 -203193.1304 2692.7999 0.0000 0.0000 51852.3421 -109426.4271 297.9961 -161278.7692 -109066.3292 299.0094 -135.4094 -106.3665 763281.2617 6.8150 6.7086 PRESSURE: 2216600 160.141 55.4838 -196.115 55.4838 -23.2013 156.006 -196.115 156.007 88.7267 GPRESSURE: 2216600 209.916 -25.6933 -198.826 115.987 -15.1625 241.381 -191.792 55.4486 111.907 PRESSAVG: 2216600 -8.91207 -27.3753 28.608 -27.3752 39.7537 24.907 28.608 24.9071 -13.8918 GPRESSAVG: 2216600 -8.52119 -27.2532 30.7439 -25.6935 39.64 26.1553 26.5833 22.3107 -14.1534 TIMING: 2216600 CPU: 6926.35, 0.00315092/step Wall: 6926.35, 0.00315092/step, 2.43619 hours remaining, 234.253906 MB of memory in use. ENERGY: 2216600 4041.7246 20468.6812 14467.8914 275.9928 -203137.2894 2621.5523 0.0000 0.0000 51878.9833 -109382.4638 298.1492 -161261.4471 -109023.7888 298.1601 75.2220 102.2203 762129.1654 5.6499 5.6552 PRESSURE: 2216800 -74.7218 -162.47 117.885 -162.471 153.755 -98.6708 117.885 -98.6717 263.647 GPRESSURE: 2216800 -32.7402 -120.677 154.803 -203.285 250.716 -125.984 233.343 -165.806 224.664 PRESSAVG: 2216800 -33.8703 -4.49907 -50.4744 -4.49909 37.0802 -33.0328 -50.4745 -33.0328 1.1821 GPRESSAVG: 2216800 -34.1161 -3.34067 -51.5341 -6.58569 35.709 -35.2574 -47.7353 -31.77 2.48806 TIMING: 2216800 CPU: 6926.98, 0.00313485/step Wall: 6926.98, 0.00313485/step, 2.42359 hours remaining, 234.253906 MB of memory in use. ENERGY: 2216800 3915.9149 20761.5727 14421.7391 269.5208 -203951.9562 3235.7359 0.0000 0.0000 51979.3556 -109368.1171 298.7261 -161347.4727 -109022.3716 298.6711 114.2269 147.5464 762563.4899 1.4640 1.3603 PRESSURE: 2217000 76.1706 -124.741 -59.572 -124.741 82.7729 79.64 -59.5721 79.6394 10.944 GPRESSURE: 2217000 77.6647 -82.8096 -133.804 -73.81 62.0456 102.338 -28.898 -59.5539 109.029 PRESSAVG: 2217000 -40.2479 20.4223 -48.1484 20.4223 -4.57664 -2.11135 -48.1484 -2.11129 -15.8012 GPRESSAVG: 2217000 -39.8569 19.7908 -48.4903 20.3947 -3.77278 -1.57153 -49.3412 -2.22692 -16.9126 TIMING: 2217000 CPU: 6927.6, 0.0031224/step Wall: 6927.6, 0.0031224/step, 2.41379 hours remaining, 234.253906 MB of memory in use. ENERGY: 2217000 4007.0572 20477.3033 14453.8047 243.9633 -203336.3447 2820.9577 0.0000 0.0000 51906.8259 -109426.4327 298.3092 -161333.2586 -109063.3457 298.9483 56.6292 82.9130 763271.8934 -20.2086 -20.1808 PRESSURE: 2217200 -360.618 -137.157 116.952 -137.156 3.29674 95.8584 116.951 95.8595 23.8552 GPRESSURE: 2217200 -263.523 -150.848 145.84 -127.527 24.4467 138.485 288.073 120.602 -0.214254 PRESSAVG: 2217200 -48.3966 1.32081 -45.1872 1.32085 44.9583 -0.834166 -45.1871 -0.834125 8.87608 GPRESSAVG: 2217200 -49.322 2.67989 -44.7726 2.20137 44.3367 0.535667 -44.4773 -4.04484 10.1633 TIMING: 2217200 CPU: 6928.23, 0.00312268/step Wall: 6928.23, 0.00312268/step, 2.41383 hours remaining, 234.253906 MB of memory in use. ENERGY: 2217200 4000.6849 20327.1433 14409.9572 243.6661 -203198.5806 2602.4985 0.0000 0.0000 51927.3819 -109687.2487 298.4274 -161614.6306 -109319.9962 298.7321 -111.1554 -79.7635 764412.2731 1.8126 1.7260 PRESSURE: 2217400 -164.049 -93.9992 -55.487 -93.9986 313.812 -285.8 -55.4868 -285.802 -521.655 GPRESSURE: 2217400 -126.959 -92.1789 83.588 -15.5853 287.239 -346.38 16.2083 -280.285 -454.319 PRESSAVG: 2217400 -45.5529 -30.0955 -4.54222 -30.0955 55.969 30.5377 -4.54219 30.5376 9.72093 GPRESSAVG: 2217400 -46.2573 -32.7064 -3.30827 -28.8609 56.6603 30.9168 -6.22489 33.459 9.90851 TIMING: 2217400 CPU: 6928.85, 0.00311418/step Wall: 6928.85, 0.00311418/step, 2.40709 hours remaining, 234.253906 MB of memory in use. ENERGY: 2217400 3988.0827 20531.2711 14510.5777 248.4583 -203239.0907 2644.0532 0.0000 0.0000 51863.1652 -109453.4826 298.0583 -161316.6478 -109095.9899 298.5679 -123.9637 -98.0134 763168.5524 6.7124 6.7705 PRESSURE: 2217600 123.697 -293.317 12.6507 -293.317 180.646 -43.1234 12.651 -43.1243 55.676 GPRESSURE: 2217600 146.749 -357.978 33.6279 -272.052 263.49 -46.4796 -65.5225 75.9334 36.0516 PRESSAVG: 2217600 -10.9982 -41.1655 20.7928 -41.1655 -2.32408 -22.2278 20.7928 -22.2278 -15.4815 GPRESSAVG: 2217600 -10.1927 -40.1612 18.1511 -42.216 -2.8808 -23.6394 21.0309 -21.7513 -15.6781 TIMING: 2217600 CPU: 6929.47, 0.0031158/step Wall: 6929.47, 0.0031158/step, 2.40817 hours remaining, 234.253906 MB of memory in use. ENERGY: 2217600 3939.3750 20459.9097 14502.2726 241.1469 -203500.6837 2709.2859 0.0000 0.0000 52147.2850 -109501.4086 299.6912 -161648.6936 -109141.1471 298.1753 120.0061 148.7635 763604.9777 -9.6013 -9.5839 PRESSURE: 2217800 -307.071 66.5757 -17.7947 66.5758 -466.242 -196.028 -17.7946 -196.029 199.102 GPRESSURE: 2217800 -280.531 74.2114 24.1851 32.4135 -396.419 -227.338 58.669 -76.8672 182.963 PRESSAVG: 2217800 -7.07753 10.8535 2.18241 10.8535 18.2556 6.07556 2.18247 6.07559 -2.86946 GPRESSAVG: 2217800 -6.50468 12.5596 2.49748 10.6625 18.1044 7.1774 4.34449 6.22556 -3.35261 TIMING: 2217800 CPU: 6930.1, 0.00314587/step Wall: 6930.1, 0.00314587/step, 2.43123 hours remaining, 234.253906 MB of memory in use. ENERGY: 2217800 4002.7634 20463.6756 14467.2253 249.1180 -202983.4912 2570.9169 0.0000 0.0000 51764.9203 -109464.8716 297.4937 -161229.7919 -109091.4281 298.3644 -191.4038 -164.6623 763570.4925 2.7695 2.7490 PRESSURE: 2218000 8.17401 -167.563 79.5607 -167.563 361.456 39.722 79.5606 39.7219 315.468 GPRESSURE: 2218000 121.215 -73.68 78.4486 -130.473 394.529 107.805 102.132 49.962 260.047 PRESSAVG: 2218000 4.46848 14.2452 9.515 14.2452 -64.0669 -22.5296 9.51501 -22.5295 -16.3802 GPRESSAVG: 2218000 6.61574 14.3512 9.20025 13.1313 -65.8552 -22.6198 7.16301 -23.1165 -17.1619 TIMING: 2218000 CPU: 6930.73, 0.00312928/step Wall: 6930.73, 0.00312928/step, 2.41824 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2218000 3998.3216 20284.1121 14470.1410 241.6364 -203221.0838 2871.5446 0.0000 0.0000 51769.8108 -109585.5173 297.5218 -161355.3281 -109225.7437 298.1610 228.3661 258.5970 762675.3491 -25.3262 -25.4671 PRESSURE: 2218200 -85.2038 -190.127 126.404 -190.127 -31.9711 -4.80069 126.404 -4.79981 342.846 GPRESSURE: 2218200 -22.236 -131.583 92.7678 -153.781 14.5694 38.0907 159.791 -73.6914 315.792 PRESSAVG: 2218200 -33.7073 33.1543 -12.0379 33.1544 -13.0812 1.43473 -12.0379 1.43471 -12.0623 GPRESSAVG: 2218200 -35.5697 31.9183 -12.4976 34.228 -12.0231 0.326183 -8.98856 1.2824 -11.1158 TIMING: 2218200 CPU: 6931.35, 0.00309876/step Wall: 6931.35, 0.00309876/step, 2.39448 hours remaining, 234.253906 MB of memory in use. ENERGY: 2218200 3995.7783 20523.1603 14389.2110 260.0171 -203354.4738 2793.9304 0.0000 0.0000 52024.7275 -109367.6492 298.9868 -161392.3767 -109016.2781 298.2221 75.2237 102.7085 764378.1195 -19.6170 -19.5696 PRESSURE: 2218400 -58.3234 -143.179 -69.7379 -143.18 331.523 -100.487 -69.7371 -100.486 98.5 GPRESSURE: 2218400 18.0211 -139.917 -75.5038 -62.8137 311.005 -90.6392 -53.5861 -103.12 143.369 PRESSAVG: 2218400 0.879748 2.82797 -14.8311 2.828 28.5217 6.06512 -14.8312 6.06509 0.219013 GPRESSAVG: 2218400 0.753809 4.08864 -13.7887 0.421348 28.6406 6.75408 -16.5798 6.71853 0.266918 TIMING: 2218400 CPU: 6931.96, 0.00308339/step Wall: 6931.96, 0.00308339/step, 2.38243 hours remaining, 234.253906 MB of memory in use. ENERGY: 2218400 3963.6080 20456.8271 14409.8383 266.7327 -203359.2379 2967.7486 0.0000 0.0000 51765.9112 -109528.5721 297.4994 -161294.4832 -109166.9281 298.5045 123.8998 157.4649 762065.1417 9.8735 9.8871 PRESSURE: 2218600 165.279 -62.3924 56.9741 -62.3926 34.3805 -87.083 56.9733 -87.0834 425.145 GPRESSURE: 2218600 167.841 -58.4385 127.991 -29.0328 160.379 -100.601 -51.7158 -74.7794 370.086 PRESSAVG: 2218600 -3.19474 10.4042 -10.0093 10.4042 -6.52273 -53.702 -10.0093 -53.7019 11.8157 GPRESSAVG: 2218600 -2.88367 8.57978 -10.4905 11.1212 -5.23198 -52.6844 -11.1282 -55.0195 10.4853 TIMING: 2218600 CPU: 6932.58, 0.00309295/step Wall: 6932.58, 0.00309295/step, 2.38965 hours remaining, 234.253906 MB of memory in use. ENERGY: 2218600 4049.4871 20380.1333 14469.3607 253.3157 -204118.1316 3384.8229 0.0000 0.0000 52000.1709 -109580.8410 298.8457 -161581.0119 -109213.1592 298.1792 208.2682 232.7686 762607.8743 0.6994 0.7899 PRESSURE: 2218800 160.13 73.3179 -53.2031 73.3184 -39.5964 133.019 -53.2031 133.018 145.148 GPRESSURE: 2218800 112.701 68.5516 -17.9416 28.5052 97.9529 223.846 -20.9471 82.8419 122.031 PRESSAVG: 2218800 -18.1217 47.164 12.9859 47.164 6.4002 2.54609 12.9859 2.54613 10.2366 GPRESSAVG: 2218800 -19.5822 48.0049 12.0373 48.0497 6.74693 1.95446 11.9773 4.24766 10.9475 TIMING: 2218800 CPU: 6933.2, 0.00309524/step Wall: 6933.2, 0.00309524/step, 2.39124 hours remaining, 234.253906 MB of memory in use. ENERGY: 2218800 3998.7571 20324.5048 14451.2073 269.0024 -203103.8002 2801.9562 0.0000 0.0000 51600.3501 -109658.0225 296.5479 -161258.3725 -109294.9109 298.1126 88.5607 110.8949 763663.9819 -0.4949 -0.6293 PRESSURE: 2219000 303.66 18.6438 -12.4134 18.6444 -79.2766 134.608 -12.4139 134.608 294.678 GPRESSURE: 2219000 325.534 124.631 46.7268 -34.5586 -61.7662 102.295 106.546 -45.8751 348.317 PRESSAVG: 2219000 -35.5316 -3.14181 -5.81406 -3.14175 9.91142 -30.6476 -5.81415 -30.6476 -3.58677 GPRESSAVG: 2219000 -35.9216 -4.78038 -2.81299 -3.56848 10.2547 -31.1206 -3.26427 -32.2055 -3.30991 TIMING: 2219000 CPU: 6933.82, 0.00310949/step Wall: 6933.82, 0.00310949/step, 2.40208 hours remaining, 234.253906 MB of memory in use. ENERGY: 2219000 3892.4769 20458.4930 14468.3093 248.3110 -203757.8191 2834.4595 0.0000 0.0000 52060.5858 -109795.1836 299.1929 -161855.7693 -109438.3196 298.0851 173.0205 204.0285 762539.7654 -9.7357 -9.6589 PRESSURE: 2219200 -301.628 19.9869 56.7446 19.9854 -414.666 -31.4134 56.7441 -31.4139 -4.78208 GPRESSURE: 2219200 -231.755 -67.4253 -43.4789 62.6154 -377.691 -14.7137 80.3162 -55.5359 -17.9162 PRESSAVG: 2219200 3.90079 8.62994 25.865 8.62998 11.481 -42.2397 25.865 -42.2397 0.568651 GPRESSAVG: 2219200 4.79835 8.24014 25.1714 9.43695 10.2117 -42.996 25.9419 -41.7688 1.14659 TIMING: 2219200 CPU: 6934.45, 0.00311807/step Wall: 6934.45, 0.00311807/step, 2.40854 hours remaining, 234.253906 MB of memory in use. ENERGY: 2219200 3960.2661 20348.3383 14491.0481 236.8578 -203352.7917 2617.7279 0.0000 0.0000 51904.5265 -109794.0270 298.2960 -161698.5534 -109421.7267 298.2107 -240.3588 -209.1208 762074.5038 5.3168 5.3855 PRESSURE: 2219400 -220.062 8.20974 113.914 8.20885 123.812 -19.1689 113.913 -19.1694 268.483 GPRESSURE: 2219400 -155.006 70.0636 143.682 97.3791 160.671 -17.448 81.4112 78.9287 248.391 PRESSAVG: 2219400 -12.0443 5.78782 21.7977 5.7878 53.8363 23.9654 21.7976 23.9656 29.3441 GPRESSAVG: 2219400 -12.2385 8.20773 20.1115 5.34028 53.383 22.9449 21.3608 25.2387 29.4545 TIMING: 2219400 CPU: 6935.07, 0.00313486/step Wall: 6935.07, 0.00313486/step, 2.42133 hours remaining, 234.253906 MB of memory in use. ENERGY: 2219400 4044.2062 20427.9584 14439.7486 227.9024 -203319.5254 2650.6009 0.0000 0.0000 51709.6330 -109819.4759 297.1760 -161529.1089 -109455.3694 298.3037 57.4109 84.6854 762219.4672 23.7120 23.5330 PRESSURE: 2219600 185.589 -24.8602 89.3191 -24.8606 -167.005 14.8394 89.319 14.8385 114.656 GPRESSURE: 2219600 173.849 42.2239 116.31 -106.26 -162.744 -1.9694 69.9901 -34.4798 184.645 PRESSAVG: 2219600 5.26069 41.866 20.897 41.866 19.313 -3.96834 20.897 -3.96831 19.8882 GPRESSAVG: 2219600 7.23226 41.5518 22.265 42.2613 18.431 -1.99545 20.2258 -6.16048 18.8889 TIMING: 2219600 CPU: 6935.7, 0.00311854/step Wall: 6935.7, 0.00311854/step, 2.40856 hours remaining, 234.253906 MB of memory in use. ENERGY: 2219600 3984.4842 20570.8150 14512.6999 263.9878 -204072.1511 3046.2420 0.0000 0.0000 52074.2947 -109619.6273 299.2717 -161693.9221 -109257.3843 298.2489 44.4133 65.2499 762341.4747 14.8206 14.8507 PRESSURE: 2219800 64.229 9.94724 141.724 9.94698 -312.766 -145.194 141.724 -145.194 -116.346 GPRESSURE: 2219800 55.6203 50.9998 107.389 -13.1537 -242.648 -176.282 83.8057 -137.46 -104.813 PRESSAVG: 2219800 2.90677 -7.62028 7.15964 -7.62025 -5.69907 62.3642 7.1596 62.3642 -4.97573 GPRESSAVG: 2219800 0.876081 -7.17983 5.30056 -8.74354 -3.60868 61.4678 8.12476 62.6708 -4.98417 TIMING: 2219800 CPU: 6936.32, 0.00311927/step Wall: 6936.32, 0.00311927/step, 2.40894 hours remaining, 234.253906 MB of memory in use. ENERGY: 2219800 3985.2734 20691.0400 14459.6243 239.8743 -203619.4380 2829.3235 0.0000 0.0000 51851.6603 -109562.6422 297.9922 -161414.3024 -109215.0379 298.6816 -121.6275 -97.2804 762693.9149 -2.5893 -2.5723 PRESSURE: 2220000 -20.572 -101.867 69.8379 -101.866 62.9958 -69.941 69.8386 -69.9409 -398.549 GPRESSURE: 2220000 40.388 -17.3726 44.4413 -212.376 80.3732 -14.8404 20.6011 8.55821 -400.307 PRESSAVG: 2220000 -14.4769 -4.41072 30.3948 -4.41069 0.834849 6.4731 30.3948 6.47305 -30.9334 GPRESSAVG: 2220000 -13.7497 -6.36483 31.0593 -5.51928 -1.28496 6.91961 31.3991 7.54756 -29.7596 TIMING: 2220000 CPU: 6936.94, 0.00310799/step Wall: 6936.94, 0.00310799/step, 2.40006 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2220000 3951.9038 20588.9153 14427.7797 240.7337 -203448.8071 2602.0242 0.0000 0.0000 51942.4407 -109695.0097 298.5139 -161637.4504 -109329.5384 298.5846 -118.7084 -93.1818 762109.9484 -14.8585 -14.9314 PRESSURE: 2220200 -118.829 297.562 97.9246 297.561 587.831 -53.4942 97.9244 -53.4937 108.188 GPRESSURE: 2220200 -25.3428 272.889 110.018 149.935 598.044 6.52619 5.90242 -55.6526 97.6389 PRESSAVG: 2220200 -8.96569 10.6232 -2.52977 10.6233 25.0702 20.7802 -2.52981 20.7802 -7.2591 GPRESSAVG: 2220200 -9.87404 11.8634 -0.968764 12.2861 27.3361 20.0408 -1.08668 19.2496 -8.86643 TIMING: 2220200 CPU: 6937.57, 0.00313016/step Wall: 6937.57, 0.00313016/step, 2.417 hours remaining, 234.253906 MB of memory in use. ENERGY: 2220200 3946.7316 20404.2788 14455.2323 247.1916 -203815.6147 3047.7786 0.0000 0.0000 52030.2574 -109684.1444 299.0186 -161714.4018 -109311.4194 298.3888 192.3966 223.4468 761920.3852 2.9485 2.8652 LDB: ============= START OF LOAD BALANCING ============== 6950.05 LDB: ============== END OF LOAD BALANCING =============== 6950.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6950.05 LDB: ============= START OF LOAD BALANCING ============== 6950.37 LDB: Largest compute 7078 load 0.032333 is 16.6% of average load 0.195065 LDB: Average compute 0.004427 is 2.3% of average load 0.195065 LDB: TIME 6950.37 LOAD: AVG 0.195065 MAX 0.217695 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.82 MB LDB: TIME 6950.37 LOAD: AVG 0.195065 MAX 0.217695 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.82 MB LDB: TIME 6950.37 LOAD: AVG 0.195065 MAX 0.217695 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.82 MB LDB: ============== END OF LOAD BALANCING =============== 6950.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6950.38 PRESSURE: 2220400 -209.987 -17.0745 7.17388 -17.0744 21.0783 -150.248 7.17453 -150.248 -150.278 GPRESSURE: 2220400 -163.891 28.8515 -60.0374 10.3545 -1.50714 -67.8105 -68.2873 -138.458 -65.4962 PRESSAVG: 2220400 22.786 3.94036 7.13046 3.94037 24.0907 -4.47929 7.13042 -4.47932 4.19828 GPRESSAVG: 2220400 23.3771 1.92735 7.13607 3.01863 21.9875 -3.77624 3.69315 -2.27539 5.49912 TIMING: 2220400 CPU: 6938.21, 0.00322466/step Wall: 6938.21, 0.00322466/step, 2.48979 hours remaining, 233.847656 MB of memory in use. ENERGY: 2220400 4043.3381 20488.8587 14463.2185 217.6908 -203286.7653 2432.1770 0.0000 0.0000 52143.3119 -109498.1703 299.6683 -161641.4823 -109141.9160 298.2570 -113.0623 -76.9646 761431.3857 17.0250 16.9546 PRESSURE: 2220600 197.446 128.555 -120.919 128.555 -49.5488 318.689 -120.919 318.688 307.947 GPRESSURE: 2220600 131.32 119.24 -10.49 67.5461 26.4242 310.112 -31.2404 315.384 392.329 PRESSAVG: 2220600 -4.62319 0.49518 12.5241 0.495148 -4.18182 -3.50427 12.5241 -3.50422 7.73383 GPRESSAVG: 2220600 -4.35759 1.79645 12.4137 0.130124 -3.56153 -4.39986 13.2783 -5.42506 7.58874 TIMING: 2220600 CPU: 6938.84, 0.00314999/step Wall: 6938.84, 0.00314999/step, 2.43197 hours remaining, 234.046875 MB of memory in use. ENERGY: 2220600 4005.6247 20404.5826 14503.4764 246.6844 -203153.4577 2539.1363 0.0000 0.0000 51877.0357 -109576.9176 298.1380 -161453.9533 -109216.5311 298.6192 151.9479 183.3578 760949.7524 -0.3571 -0.1101 PRESSURE: 2220800 207.459 -85.9383 -124.226 -85.938 -140.37 17.0184 -124.225 17.019 122.188 GPRESSURE: 2220800 179.533 -204.24 -117.01 -126.537 -60.6854 32.6235 -303.559 20.2542 158.243 PRESSAVG: 2220800 1.70439 30.0814 -59.6046 30.0814 26.9019 28.5004 -59.6046 28.5004 22.0543 GPRESSAVG: 2220800 1.81915 28.9848 -61.1121 29.2914 26.6283 28.7073 -59.7132 28.1201 22.4418 TIMING: 2220800 CPU: 6939.47, 0.00315365/step Wall: 6939.47, 0.00315365/step, 2.43462 hours remaining, 234.046875 MB of memory in use. ENERGY: 2220800 3974.3783 20547.1559 14457.0881 252.2356 -203559.2649 2640.0556 0.0000 0.0000 51981.3513 -109707.0000 298.7375 -161688.3513 -109352.3724 298.5109 63.0924 92.3635 761442.2692 16.8869 16.9631 PRESSURE: 2221000 -218.011 -239.06 -15.2272 -239.061 246.244 59.9654 -15.2267 59.9644 -351.301 GPRESSURE: 2221000 -73.5662 -270.182 -33.0274 -118.926 124.035 -3.50146 -95.2044 149.939 -293.696 PRESSAVG: 2221000 10.0729 35.6702 -17.3221 35.6701 -8.80599 27.0285 -17.3221 27.0284 -1.08351 GPRESSAVG: 2221000 11.0818 38.7886 -16.2103 36.4115 -9.17916 26.4669 -16.2511 27.6043 -1.61732 TIMING: 2221000 CPU: 6940.1, 0.00312497/step Wall: 6940.1, 0.00312497/step, 2.4123 hours remaining, 234.046875 MB of memory in use. ENERGY: 2221000 3973.8307 20417.6375 14426.0855 234.7556 -203923.4578 2934.2988 0.0000 0.0000 52185.0399 -109751.8098 299.9081 -161936.8497 -109388.6391 298.0739 -107.6891 -81.0757 760938.7759 0.0611 0.0951 PRESSURE: 2221200 -25.0891 -156.098 -229.826 -156.099 136.313 -244.48 -229.827 -244.48 -255.192 GPRESSURE: 2221200 -42.143 -146.625 -167.907 -83.3118 243.355 -179.814 -187.962 -219.249 -254.938 PRESSAVG: 2221200 0.551424 -37.1996 -27.9246 -37.1996 10.5093 108.814 -27.9246 108.814 -17.0661 GPRESSAVG: 2221200 -0.14309 -37.7123 -29.8009 -37.5466 11.9919 110.572 -28.7838 107.122 -18.4426 TIMING: 2221200 CPU: 6940.72, 0.00310029/step Wall: 6940.72, 0.00310029/step, 2.39308 hours remaining, 234.046875 MB of memory in use. ENERGY: 2221200 4002.0836 20459.3151 14477.0850 254.5937 -203533.5174 2684.2378 0.0000 0.0000 52058.2969 -109597.9053 299.1797 -161656.2022 -109236.5708 298.6252 -47.9892 -17.9089 761441.5038 -2.0018 -2.1979 PRESSURE: 2221400 46.7472 -35.4436 -80.6518 -35.4438 -140.363 290.269 -80.6517 290.269 94.4418 GPRESSURE: 2221400 60.9501 0.861154 18.0807 -37.0419 -116.889 297.452 -96.7584 101.244 153.217 PRESSAVG: 2221400 18.8416 11.2482 -0.0172431 11.2482 -40.9752 59.5411 -0.0171618 59.541 12.5734 GPRESSAVG: 2221400 19.1631 9.85322 2.70414 10.6448 -42.6983 58.7801 -0.103597 59.4079 13.298 TIMING: 2221400 CPU: 6941.34, 0.00310468/step Wall: 6941.34, 0.00310468/step, 2.3963 hours remaining, 234.046875 MB of memory in use. ENERGY: 2221400 3969.6186 20537.3992 14397.7375 267.4349 -203317.4737 2566.1160 0.0000 0.0000 52113.3609 -109465.8066 299.4962 -161579.1675 -109107.6523 299.1318 0.2754 32.4259 761539.5708 -3.1867 -3.4124 PRESSURE: 2221600 -118.294 -79.8152 -30.7781 -79.8147 234.149 76.9119 -30.7778 76.9119 60.6571 GPRESSURE: 2221600 -6.44259 -119.282 78.1774 -4.82181 177.357 -22.7957 -67.9116 101.068 84.3347 PRESSAVG: 2221600 -31.0405 -1.54017 26.448 -1.54018 13.7266 81.9126 26.448 81.9124 2.30228 GPRESSAVG: 2221600 -31.2014 -3.67295 25.9955 0.752123 13.7427 80.7768 26.246 83.7616 2.6058 TIMING: 2221600 CPU: 6941.97, 0.00312477/step Wall: 6941.97, 0.00312477/step, 2.41163 hours remaining, 234.046875 MB of memory in use. ENERGY: 2221600 3963.1363 20574.6326 14404.9585 243.3909 -203481.5800 2718.2953 0.0000 0.0000 52075.7444 -109501.4219 299.2800 -161577.1663 -109133.4998 298.7915 58.8375 85.0829 760151.5112 -5.0039 -4.9510 PRESSURE: 2221800 122.4 -35.7408 -59.6266 -35.7396 -92.4774 3.01374 -59.6269 3.01347 -33.3647 GPRESSURE: 2221800 215.12 -93.042 -67.1233 -118.459 -78.8567 -16.7558 -58.1781 11.1424 -40.8603 PRESSAVG: 2221800 12.7985 -43.3829 -5.05677 -43.3829 17.2953 0.7763 -5.0568 0.776287 5.3043 GPRESSAVG: 2221800 12.1094 -40.5128 -5.9814 -44.997 18.2305 1.63935 -5.40029 0.413337 5.34966 TIMING: 2221800 CPU: 6942.59, 0.00310827/step Wall: 6942.59, 0.00310827/step, 2.39872 hours remaining, 234.046875 MB of memory in use. ENERGY: 2221800 4026.4727 20618.9195 14440.9245 251.6963 -203392.6227 2668.5686 0.0000 0.0000 51969.8063 -109416.2348 298.6712 -161386.0411 -109053.7169 299.0696 -1.1474 31.8011 760683.3760 11.7994 11.8965 PRESSURE: 2222000 -126.436 115.927 -48.3014 115.927 -107.929 -19.8138 -48.3009 -19.8135 -78.6084 GPRESSURE: 2222000 -106.031 118.123 -133.562 17.725 -86.9823 42.8502 -79.1565 58.9406 -57.4778 PRESSAVG: 2222000 69.1423 8.71237 19.2244 8.71231 -14.9407 43.9856 19.2244 43.9856 -24.8669 GPRESSAVG: 2222000 69.3575 6.85098 17.6262 8.58647 -16.6646 42.4889 20.7583 45.0537 -23.9581 TIMING: 2222000 CPU: 6943.21, 0.00311428/step Wall: 6943.21, 0.00311428/step, 2.40318 hours remaining, 234.046875 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: 2222000 4066.2256 20548.6741 14518.9783 268.6513 -203267.8423 2355.9239 0.0000 0.0000 51997.2354 -109512.1537 298.8288 -161509.3890 -109158.8600 298.6652 -104.3245 -83.4971 762071.9824 9.7783 9.5783 PRESSURE: 2222200 -391.759 -37.0958 -90.6483 -37.0953 -185.947 15.6301 -90.6488 15.6308 -52.9757 GPRESSURE: 2222200 -229.023 -112.853 -129.603 4.1296 -286.981 156.656 -110.089 -118.895 -19.9951 PRESSAVG: 2222200 -51.3133 -15.6645 34.3301 -15.6644 -8.70622 36.9563 34.3301 36.9562 -11.8748 GPRESSAVG: 2222200 -51.0523 -16.1194 36.1752 -13.5547 -8.49095 39.0048 32.6444 36.0213 -12.6439 TIMING: 2222200 CPU: 6943.83, 0.00311456/step Wall: 6943.83, 0.00311456/step, 2.40323 hours remaining, 234.046875 MB of memory in use. ENERGY: 2222200 4039.0039 20622.1748 14435.8111 245.3254 -203422.2467 2550.9190 0.0000 0.0000 52003.7382 -109525.2743 298.8662 -161529.0125 -109165.7141 299.1855 -210.2270 -178.6664 762533.2514 -23.9648 -24.0624 PRESSURE: 2222400 5.53078 77.409 235.927 77.409 74.0698 41.9371 235.927 41.9377 210.233 GPRESSURE: 2222400 80.1752 148.637 150.603 117.811 129.761 4.70531 253.093 -135.766 152.591 PRESSAVG: 2222400 32.1128 35.9023 31.4186 35.9022 -33.147 60.8594 31.4187 60.8594 7.34528 GPRESSAVG: 2222400 32.208 37.2657 30.6143 32.3828 -32.9854 60.714 32.0972 58.6014 6.87933 TIMING: 2222400 CPU: 6944.46, 0.00311106/step Wall: 6944.46, 0.00311106/step, 2.40036 hours remaining, 234.046875 MB of memory in use. ENERGY: 2222400 3989.2673 20579.1097 14517.2210 248.9608 -203793.5680 2914.0763 0.0000 0.0000 51984.1006 -109560.8323 298.7533 -161544.9328 -109194.7203 298.8078 96.6113 120.8423 761610.0788 2.1037 2.0340 PRESSURE: 2222600 205.977 98.6643 -96.4922 98.6649 98.8841 10.4359 -96.4924 10.4366 47.8622 GPRESSURE: 2222600 166.38 49.3829 -61.4012 94.3092 228.092 22.9724 -197.508 27.987 62.4488 PRESSAVG: 2222600 -47.8033 -2.59258 3.24959 -2.5926 63.0046 42.3019 3.24952 42.302 -1.2822 GPRESSAVG: 2222600 -48.5467 -1.365 2.52207 -1.42563 63.6114 42.1991 3.67471 44.1123 -1.08471 TIMING: 2222600 CPU: 6945.07, 0.00309591/step Wall: 6945.07, 0.00309591/step, 2.3885 hours remaining, 234.046875 MB of memory in use. ENERGY: 2222600 3935.5147 20595.0091 14439.7652 250.5415 -203884.1120 3029.0323 0.0000 0.0000 52040.8128 -109593.4364 299.0793 -161634.2492 -109233.4793 298.7919 117.5746 152.3069 761734.6407 4.6397 4.6600 PRESSURE: 2222800 -303.757 -98.5509 32.5793 -98.551 274.844 -112.069 32.5785 -112.069 -481.042 GPRESSURE: 2222800 -203.639 4.73378 83.2986 -69.0191 224.701 -93.5729 148.018 -15.8295 -454.498 PRESSAVG: 2222800 -46.2619 57.4249 -25.0298 57.4249 60.6575 4.84475 -25.0299 4.8447 -3.86695 GPRESSAVG: 2222800 -44.897 56.6477 -24.7296 58.6662 59.8919 4.01284 -25.6646 6.17864 -4.25201 TIMING: 2222800 CPU: 6945.7, 0.00314037/step Wall: 6945.7, 0.00314037/step, 2.42262 hours remaining, 234.046875 MB of memory in use. ENERGY: 2222800 4019.4671 20439.2334 14469.2948 236.8566 -203456.7146 2629.7797 0.0000 0.0000 51654.8848 -110007.1982 296.8613 -161662.0830 -109652.9317 298.2627 -169.9853 -144.4785 761746.9607 3.5096 3.5810 PRESSURE: 2223000 255.62 8.95028 -226.344 8.9501 -412.678 -177.71 -226.344 -177.71 -252.743 GPRESSURE: 2223000 126.475 -83.4649 -278.553 -17.791 -291.976 -55.1053 -210.814 -103.808 -162.154 PRESSAVG: 2223000 -26.2601 -37.3004 -56.2182 -37.3005 8.3698 -52.661 -56.2182 -52.661 -17.2136 GPRESSAVG: 2223000 -27.0496 -37.6795 -55.4945 -38.2485 9.36334 -53.2871 -55.0592 -52.1366 -17.4806 TIMING: 2223000 CPU: 6946.32, 0.00310557/step Wall: 6946.32, 0.00310557/step, 2.3956 hours remaining, 234.046875 MB of memory in use. ENERGY: 2223000 3997.3240 20468.3240 14527.8789 259.2615 -203480.1017 2599.9569 0.0000 0.0000 51938.6765 -109688.6800 298.4923 -161627.3565 -109323.5685 297.6377 -136.6005 -109.2182 761772.0051 -11.7013 -11.7223 PRESSURE: 2223200 32.9961 231.874 211.357 231.873 110.218 0.296101 211.358 0.296611 14.5064 GPRESSURE: 2223200 108.22 164.2 249.406 232.579 88.8505 -18.1215 29.6288 -60.5161 32.2889 PRESSAVG: 2223200 -34.9435 19.2207 9.61822 19.2206 44.2066 -54.5167 9.6182 -54.5167 15.6152 GPRESSAVG: 2223200 -34.9098 18.5968 8.66651 17.6122 44.941 -53.6386 7.7306 -55.7218 15.6613 TIMING: 2223200 CPU: 6946.95, 0.0031092/step Wall: 6946.95, 0.0031092/step, 2.39823 hours remaining, 234.046875 MB of memory in use. ENERGY: 2223200 3947.7193 20601.4152 14408.9452 250.7700 -203593.7092 2736.1009 0.0000 0.0000 52179.5911 -109469.1674 299.8768 -161648.7585 -109099.9473 298.6714 52.5736 76.4531 762017.9937 8.2928 8.5642 PRESSURE: 2223400 -337.289 -38.4522 134.354 -38.4518 115.01 -179.611 134.353 -179.611 172.573 GPRESSURE: 2223400 -287.046 9.75869 198.13 112.244 216.427 -226.545 95.3755 -283.53 107.075 PRESSAVG: 2223400 -29.0229 -35.1264 19.7372 -35.1264 30.3838 37.171 19.7373 37.1709 6.04747 GPRESSAVG: 2223400 -29.6492 -34.985 21.696 -33.6954 30.5087 37.456 18.7726 35.6914 6.29919 TIMING: 2223400 CPU: 6947.57, 0.00313181/step Wall: 6947.57, 0.00313181/step, 2.4155 hours remaining, 234.046875 MB of memory in use. ENERGY: 2223400 3965.7265 20547.1679 14432.7043 245.3381 -203565.5748 2770.3218 0.0000 0.0000 52250.4691 -109353.8472 300.2842 -161604.3163 -108984.7334 299.1188 -16.5684 12.1522 761527.3827 2.4694 2.3862 PRESSURE: 2223600 30.9144 -162.675 -32.3607 -162.674 -34.1401 -144.086 -32.3609 -144.086 -13.9894 GPRESSURE: 2223600 17.496 -91.8427 -38.1444 -110.292 9.1076 -149.611 28.8346 -13.6281 14.3151 PRESSAVG: 2223600 -9.58543 37.0549 16.4056 37.0549 17.3879 -5.57514 16.4057 -5.57515 16.4196 GPRESSAVG: 2223600 -8.9662 38.5166 15.612 38.194 16.253 -6.64244 17.8658 -4.65297 16.3566 TIMING: 2223600 CPU: 6948.2, 0.00312535/step Wall: 6948.2, 0.00312535/step, 2.41034 hours remaining, 234.046875 MB of memory in use. ENERGY: 2223600 3937.8516 20520.9636 14447.2223 255.9659 -202856.7198 2434.2625 0.0000 0.0000 52046.9963 -109213.4576 299.1148 -161260.4539 -108852.0124 298.7314 -5.7384 13.6396 761138.4677 8.0740 7.8812 PRESSURE: 2223800 -40.333 111.811 -13.3414 111.811 -163.775 -253.928 -13.3419 -253.927 -488.702 GPRESSURE: 2223800 -67.603 118.4 -142.953 95.1485 -93.3219 -291.498 126.953 -224.644 -437.894 PRESSAVG: 2223800 24.9515 -10.9685 10.3148 -10.9685 9.83468 -26.7327 10.3147 -26.7327 8.77039 GPRESSAVG: 2223800 24.2362 -11.2083 9.23945 -12.4088 10.4262 -27.679 11.747 -25.4733 9.41721 TIMING: 2223800 CPU: 6948.82, 0.00310781/step Wall: 6948.82, 0.0031078/step, 2.39664 hours remaining, 234.046875 MB of memory in use. ENERGY: 2223800 4030.0521 20392.1311 14456.0252 251.8472 -202954.2096 2623.0661 0.0000 0.0000 51868.6385 -109332.4494 298.0898 -161201.0879 -108965.7002 299.0583 -230.9365 -199.6062 761919.5243 14.5188 14.6932 PRESSURE: 2224000 376.986 -162.867 -220.471 -162.868 244.406 -4.2731 -220.471 -4.27354 65.244 GPRESSURE: 2224000 347.862 -112.277 -147.828 -133.557 380.078 2.14956 -161.669 19.7753 52.2071 PRESSAVG: 2224000 -16.2911 34.5593 -0.919245 34.5593 33.3219 -20.7601 -0.91922 -20.7602 23.5097 GPRESSAVG: 2224000 -16.7766 32.9211 -0.720746 35.1319 35.0392 -20.1874 -1.76473 -21.7895 22.1203 TIMING: 2224000 CPU: 6949.44, 0.00311051/step Wall: 6949.44, 0.00311051/step, 2.39855 hours remaining, 234.046875 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: 2224000 3976.9907 20652.4520 14457.9678 241.9832 -203024.4968 2441.2322 0.0000 0.0000 52046.9198 -109206.9510 299.1144 -161253.8708 -108854.0401 299.3077 228.8786 260.0491 761290.4561 13.5135 13.4610 PRESSURE: 2224200 -39.314 2.24842 -55.4331 2.24756 84.9569 176.922 -55.4323 176.922 116.932 GPRESSURE: 2224200 39.7424 -69.2287 -3.38691 9.42588 144.029 224.045 -147.434 161.971 74.0233 PRESSAVG: 2224200 -20.9099 49.6747 3.98595 49.6748 13.7563 60.6146 3.9859 60.6147 14.5825 GPRESSAVG: 2224200 -20.2191 50.0703 4.15623 49.1025 12.3944 62.0424 3.19901 59.659 15.3667 TIMING: 2224200 CPU: 6950.07, 0.00312649/step Wall: 6950.07, 0.00312649/step, 2.4107 hours remaining, 234.046875 MB of memory in use. ENERGY: 2224200 4035.7153 20503.6055 14429.9475 254.5699 -203144.8551 2728.6756 0.0000 0.0000 52167.3538 -109024.9873 299.8065 -161192.3412 -108657.5291 299.6665 54.1917 85.9316 761726.9699 2.4763 2.5140 LDB: ============= START OF LOAD BALANCING ============== 6962.55 LDB: ============== END OF LOAD BALANCING =============== 6962.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6962.55 LDB: ============= START OF LOAD BALANCING ============== 6962.87 LDB: Largest compute 7078 load 0.034386 is 17.6% of average load 0.194931 LDB: Average compute 0.004416 is 2.3% of average load 0.194931 LDB: TIME 6962.87 LOAD: AVG 0.194931 MAX 0.220607 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.16 MB LDB: TIME 6962.87 LOAD: AVG 0.194931 MAX 0.220607 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.324 MB LDB: TIME 6962.87 LOAD: AVG 0.194931 MAX 0.21528 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.324 MB LDB: ============== END OF LOAD BALANCING =============== 6962.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6962.88 PRESSURE: 2224400 -95.6539 -63.9137 30.7518 -63.9129 -86.2314 -173.383 30.7525 -173.382 -76.7828 GPRESSURE: 2224400 -171.981 -12.9872 36.0445 -102.127 5.01237 -101.731 33.9288 -148.401 -15.2063 PRESSAVG: 2224400 12.0022 47.5465 12.6347 47.5465 12.5522 25.6217 12.6347 25.6217 5.8635 GPRESSAVG: 2224400 11.9186 48.007 12.8059 47.226 11.7908 27.4658 11.5725 27.38 7.00417 TIMING: 2224400 CPU: 6950.71, 0.0032227/step Wall: 6950.71, 0.0032227/step, 2.4847 hours remaining, 233.644531 MB of memory in use. ENERGY: 2224400 4049.0899 20447.8883 14436.5511 259.0321 -203030.8013 2589.0169 0.0000 0.0000 52102.2608 -109146.9623 299.4324 -161249.2230 -108801.5345 299.5159 -86.2227 -60.7251 762556.4333 10.1393 10.2379 PRESSURE: 2224600 -269.557 37.1751 151.138 37.1753 21.4979 -80.0383 151.137 -80.0375 317.248 GPRESSURE: 2224600 -165.879 12.3505 112.679 -60.9538 45.7554 -123.871 134.04 -55.8908 277.256 PRESSAVG: 2224600 -32.1498 24.2066 36.5101 24.2066 26.6254 -23.5297 36.5102 -23.5296 4.58279 GPRESSAVG: 2224600 -30.1311 25.471 35.6048 23.1153 25.9852 -23.293 39.2917 -24.4631 3.13492 TIMING: 2224600 CPU: 6951.34, 0.00316268/step Wall: 6951.34, 0.00316268/step, 2.43825 hours remaining, 233.843750 MB of memory in use. ENERGY: 2224600 4043.4718 20584.3711 14430.6766 240.8501 -203174.6963 2609.5729 0.0000 0.0000 52287.6039 -108978.1498 300.4976 -161265.7537 -108614.5237 299.5656 23.0629 52.3774 762550.9720 -0.3139 -0.3370 PRESSURE: 2224800 104.073 98.9317 -373.929 98.9324 438.495 -70.6389 -373.928 -70.6381 -393.612 GPRESSURE: 2224800 109.883 206.706 -299.198 50.9527 386.373 -75.0465 -357.878 -179.664 -269.743 PRESSAVG: 2224800 -39.2643 34.1922 -34.471 34.1923 -10.2143 3.04039 -34.471 3.04044 -6.67538 GPRESSAVG: 2224800 -41.0175 30.6242 -33.6148 36.8036 -9.07163 0.599528 -36.1407 2.17752 -5.94431 TIMING: 2224800 CPU: 6951.97, 0.00311959/step Wall: 6951.97, 0.00311959/step, 2.40485 hours remaining, 233.843750 MB of memory in use. ENERGY: 2224800 3973.1388 20575.4763 14518.6736 249.5478 -203231.9488 2800.6341 0.0000 0.0000 52101.3322 -109013.1460 299.4271 -161114.4782 -108647.8334 299.7388 49.6522 75.5043 762799.7614 -18.7180 -18.6778 PRESSURE: 2225000 -140.406 192.357 75.8629 192.358 -398.989 222.638 75.8623 222.639 181.54 GPRESSURE: 2225000 -202.944 229.192 191.135 169.315 -293.071 137.822 12.349 180.088 211.178 PRESSAVG: 2225000 -4.77181 -7.12427 14.5307 -7.12433 -16.3745 -45.8174 14.5307 -45.8175 -12.7684 GPRESSAVG: 2225000 -5.20207 -2.61296 16.1173 -7.20097 -16.7722 -45.788 13.6821 -44.5367 -12.1394 TIMING: 2225000 CPU: 6952.59, 0.00310253/step Wall: 6952.59, 0.00310253/step, 2.39154 hours remaining, 233.843750 MB of memory in use. ENERGY: 2225000 4015.2127 20731.3208 14397.2133 270.1567 -203198.4434 2452.4253 0.0000 0.0000 52466.9796 -108865.1350 301.5285 -161332.1146 -108508.7113 299.9805 -119.2851 -94.9458 762039.3218 -11.3049 -11.3712 PRESSURE: 2225200 -127.754 61.9614 240.606 61.9608 76.8291 -43.6583 240.605 -43.6574 258.702 GPRESSURE: 2225200 -63.7311 30.9817 199.797 -20.8256 78.3252 -71.0417 180.208 45.804 280.267 PRESSAVG: 2225200 -46.2124 39.2637 31.5596 39.2637 38.2628 -16.3164 31.5596 -16.3164 25.7906 GPRESSAVG: 2225200 -46.2809 36.2551 32.0446 39.7186 38.1423 -14.8328 32.0879 -17.0587 25.51 TIMING: 2225200 CPU: 6953.21, 0.00310681/step Wall: 6953.21, 0.00310681/step, 2.39466 hours remaining, 233.843750 MB of memory in use. ENERGY: 2225200 4059.0549 20699.2666 14447.1032 257.7948 -203298.7931 2915.2693 0.0000 0.0000 52104.9228 -108815.3815 299.4477 -160920.3043 -108459.4105 300.1253 69.2589 98.2872 763485.2890 5.9470 5.7905 PRESSURE: 2225400 146.018 -30.9892 -77.7621 -30.9897 -59.9172 223.349 -77.7622 223.348 28.8796 GPRESSURE: 2225400 144.743 -116.37 -19.6857 20.8716 70.9798 229.292 -152.22 233.57 -18.0652 PRESSAVG: 2225400 -31.7225 -14.4023 82.2563 -14.4023 22.0011 -9.32028 82.2562 -9.32029 -7.38613 GPRESSAVG: 2225400 -32.1744 -14.1686 78.2486 -15.5594 22.5065 -10.013 84.2763 -10.1998 -7.37747 TIMING: 2225400 CPU: 6953.83, 0.00312812/step Wall: 6953.83, 0.00312812/step, 2.41091 hours remaining, 233.843750 MB of memory in use. ENERGY: 2225400 3923.1477 20549.4470 14485.3388 255.5837 -202734.7660 2441.3462 0.0000 0.0000 52133.3996 -108946.5029 299.6114 -161079.9025 -108576.9069 299.8119 38.3266 65.8859 762621.2386 -5.7025 -5.6818 PRESSURE: 2225600 -150.267 -254.427 -100.204 -254.427 223.853 181.044 -100.205 181.043 31.5588 GPRESSURE: 2225600 -155.014 -128.796 -91.4577 -117.727 275.311 244.689 -32.8034 174.914 59.5405 PRESSAVG: 2225600 -21.9836 2.13355 56.8608 2.13362 66.3439 35.9065 56.8607 35.9065 -18.1959 GPRESSAVG: 2225600 -22.0257 4.35979 60.4024 2.52277 66.2529 35.8796 52.4489 37.4349 -18.0303 TIMING: 2225600 CPU: 6954.46, 0.00312064/step Wall: 6954.46, 0.00312064/step, 2.40497 hours remaining, 233.843750 MB of memory in use. ENERGY: 2225600 4023.3755 20623.7881 14455.3308 246.7176 -203534.5481 2942.3702 0.0000 0.0000 52100.0531 -109142.9127 299.4197 -161242.9658 -108775.4776 299.7271 35.0483 59.9461 762412.3823 8.7215 8.7323 PRESSURE: 2225800 -156.705 15.6756 164.944 15.6754 91.3919 -21.3334 164.944 -21.3339 -398.637 GPRESSURE: 2225800 -103.156 12.0532 56.7505 -9.82219 58.0922 -49.343 96.9983 32.7942 -339.111 PRESSAVG: 2225800 15.554 10.0583 35.2753 10.0583 18.5718 -21.9888 35.2754 -21.9887 14.327 GPRESSAVG: 2225800 16.0899 8.86319 33.3096 9.47994 17.946 -22.1203 38.936 -22.514 14.3648 TIMING: 2225800 CPU: 6955.09, 0.00314096/step Wall: 6955.09, 0.00314096/step, 2.42046 hours remaining, 233.843750 MB of memory in use. ENERGY: 2225800 3922.0800 20621.0629 14477.2884 239.1265 -202979.4262 2296.1975 0.0000 0.0000 52336.2134 -109087.4574 300.7769 -161423.6708 -108718.7968 299.4059 -154.6502 -128.0581 761684.0466 16.1510 16.1336 PRESSURE: 2226000 -259.609 -175.85 143.996 -175.849 -104.794 -96.0246 143.996 -96.0244 198.626 GPRESSURE: 2226000 -225.867 -203.72 190.853 -229.432 -162.256 -191.749 210.258 -70.6214 286.585 PRESSAVG: 2226000 -23.5289 36.5982 4.862 36.5982 -43.7091 16.1219 4.86194 16.122 -0.593242 GPRESSAVG: 2226000 -22.6383 37.9143 6.52414 37.12 -43.6794 15.3562 2.87406 15.7306 -0.972138 TIMING: 2226000 CPU: 6955.71, 0.00311982/step Wall: 6955.71, 0.00311982/step, 2.404 hours remaining, 233.843750 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: 2226000 4066.3185 20734.4007 14394.5043 246.4657 -203240.8411 2642.3284 0.0000 0.0000 51868.2274 -109288.5962 298.0874 -161156.8235 -108934.5628 299.4907 -55.2589 -33.8458 760955.2085 -22.6104 -22.4299 PRESSURE: 2226200 -381.605 168.835 -220.415 168.835 38.93 -130.531 -220.415 -130.532 295.819 GPRESSURE: 2226200 -341.291 131.985 -265.348 182.248 96.0217 -234.366 -295.852 -56.5291 277.57 PRESSAVG: 2226200 -24.9988 -9.7306 -23.1979 -9.73062 12.9362 -2.31037 -23.1979 -2.31037 8.35095 GPRESSAVG: 2226200 -26.6542 -12.7237 -24.6787 -9.1696 12.8709 -2.25388 -20.4164 -0.139771 9.42678 TIMING: 2226200 CPU: 6956.33, 0.00312117/step Wall: 6956.33, 0.00312117/step, 2.40486 hours remaining, 233.843750 MB of memory in use. ENERGY: 2226200 3984.3166 20441.6443 14510.2136 278.0673 -203200.1007 2411.5479 0.0000 0.0000 51996.1536 -109578.1574 298.8226 -161574.3110 -109218.8611 299.1683 -15.6184 10.7669 762492.1929 -1.2372 -1.4522 PRESSURE: 2226400 -197.488 28.3844 -100.21 28.3844 67.6116 153.613 -100.208 153.613 205.893 GPRESSURE: 2226400 -118.639 122.723 -87.0724 67.2624 51.0604 182.474 -137.802 55.5186 233.123 PRESSAVG: 2226400 -68.8218 30.0247 13.625 30.0247 80.0003 -52.7964 13.625 -52.7965 4.89821 GPRESSAVG: 2226400 -67.5979 31.509 14.4828 29.4317 79.9645 -52.1928 12.2118 -53.2704 3.12665 TIMING: 2226400 CPU: 6956.96, 0.00313666/step Wall: 6956.96, 0.00313666/step, 2.41662 hours remaining, 233.843750 MB of memory in use. ENERGY: 2226400 3961.1956 20478.8734 14452.5438 256.4208 -203287.7647 2571.6786 0.0000 0.0000 52041.8682 -109525.1844 299.0853 -161567.0526 -109167.0040 298.3192 25.3387 55.1814 760452.9976 5.3589 5.1644 PRESSURE: 2226600 -186.345 -40.2621 2.96753 -40.2621 293.785 87.5367 2.96743 87.5367 -272.127 GPRESSURE: 2226600 -101.71 -152.847 -16.9798 -13.8091 281.053 -31.4934 1.46322 50.6515 -246.471 PRESSAVG: 2226600 -26.2952 6.79013 -34.2086 6.79015 58.6428 -24.4469 -34.2085 -24.4469 -10.5709 GPRESSAVG: 2226600 -26.5878 5.86816 -35.244 7.96589 58.7696 -24.8143 -34.4168 -24.4839 -10.2243 TIMING: 2226600 CPU: 6957.59, 0.00311897/step Wall: 6957.59, 0.00311897/step, 2.40282 hours remaining, 233.843750 MB of memory in use. ENERGY: 2226600 3937.0642 20620.4947 14436.2845 268.7126 -203597.4969 2727.7624 0.0000 0.0000 51958.9935 -109648.1849 298.6090 -161607.1784 -109290.0237 299.1933 -54.8958 -22.3760 759257.5910 7.2589 7.3192 PRESSURE: 2226800 101.615 -14.9945 162.903 -14.9935 233.284 -168.092 162.905 -168.093 -100.468 GPRESSURE: 2226800 95.7205 -33.9017 224.927 0.274085 317.822 -164.031 204.206 -108.463 -97.0022 PRESSAVG: 2226800 -49.3056 -27.2202 9.33571 -27.2202 43.4647 -59.1457 9.33575 -59.1458 -22.1583 GPRESSAVG: 2226800 -50.4064 -25.1071 9.78788 -28.3628 44.0147 -58.0186 8.82588 -61.3851 -21.971 TIMING: 2226800 CPU: 6958.21, 0.00310355/step Wall: 6958.21, 0.00310355/step, 2.39077 hours remaining, 233.843750 MB of memory in use. ENERGY: 2226800 4012.4809 20390.9496 14561.8712 228.0023 -203377.0172 2668.6085 0.0000 0.0000 52077.9226 -109437.1822 299.2925 -161515.1047 -109075.3704 298.7137 78.1439 105.5134 759552.8634 -9.3331 -9.4542 PRESSURE: 2227000 239.651 158.075 -73.5901 158.075 -118.119 -178.527 -73.5907 -178.526 -152.873 GPRESSURE: 2227000 164.972 202.114 -210.692 110.059 -59.3129 -149.742 8.43566 -36.3293 -52.2016 PRESSAVG: 2227000 11.3565 1.7527 -36.5193 1.75264 -22.4078 -56.9882 -36.5192 -56.9883 0.888356 GPRESSAVG: 2227000 11.8991 -0.693542 -38.4186 5.00336 -23.3501 -58.22 -34.7092 -54.3929 1.0154 TIMING: 2227000 CPU: 6958.83, 0.00310614/step Wall: 6958.83, 0.00310614/step, 2.39259 hours remaining, 233.843750 MB of memory in use. ENERGY: 2227000 3962.0128 20561.2981 14423.0615 259.8775 -203287.0871 2677.7391 0.0000 0.0000 51775.0472 -109628.0509 297.5519 -161403.0981 -109262.5480 298.9732 -10.4469 17.8190 761950.9483 -3.3877 -3.4785 PRESSURE: 2227200 -3.21709 22.8385 -12.5784 22.8382 -61.3712 -180.073 -12.5775 -180.073 -154.467 GPRESSURE: 2227200 29.63 -76.351 37.6129 21.2544 1.65455 -159.602 37.8777 -147.382 -181.433 PRESSAVG: 2227200 -26.7523 -17.9046 6.41729 -17.9047 12.2855 -24.1464 6.41734 -24.1464 -3.88542 GPRESSAVG: 2227200 -26.6714 -17.1003 7.19158 -19.2511 13.1915 -22.9169 5.18731 -24.3866 -4.54578 TIMING: 2227200 CPU: 6959.45, 0.00311885/step Wall: 6959.45, 0.00311884/step, 2.4022 hours remaining, 233.843750 MB of memory in use. ENERGY: 2227200 3974.2875 20548.2262 14387.5495 251.2976 -203175.0055 2616.8175 0.0000 0.0000 51701.7438 -109695.0835 297.1306 -161396.8272 -109349.6132 297.8375 -73.0184 -50.0494 763757.6363 -6.1174 -6.0086 PRESSURE: 2227400 42.4414 -107.225 145.606 -107.225 -29.684 -30.3641 145.606 -30.3641 98.7087 GPRESSURE: 2227400 111.305 -124.74 154.253 -72.7444 -90.3803 54.2143 136.156 -40.4975 161.642 PRESSAVG: 2227400 -5.56783 2.99583 -3.95756 2.99587 8.70993 12.7808 -3.95755 12.7809 3.00736 GPRESSAVG: 2227400 -6.78828 3.38974 -2.36469 1.91195 9.12676 13.4707 -3.10362 12.2545 4.12854 TIMING: 2227400 CPU: 6960.07, 0.00309581/step Wall: 6960.07, 0.00309581/step, 2.38429 hours remaining, 233.843750 MB of memory in use. ENERGY: 2227400 3995.0086 20506.1778 14506.2239 241.6430 -203846.3577 3090.5935 0.0000 0.0000 51756.1506 -109750.5603 297.4433 -161506.7109 -109389.0444 298.2279 37.1554 60.8555 764149.4523 2.0498 2.1557 PRESSURE: 2227600 -195.699 -80.3041 149.985 -80.3042 -149.324 -251.966 149.985 -251.967 109.473 GPRESSURE: 2227600 -144.977 -77.0737 150.673 -126.437 -106.22 -209.487 -3.2777 -202.519 104.345 PRESSAVG: 2227600 39.292 -23.7845 27.2538 -23.7844 -5.25866 -16.9482 27.2538 -16.9482 14.7458 GPRESSAVG: 2227600 39.7525 -22.9582 25.8534 -21.6718 -5.18054 -16.7563 26.0899 -17.3796 13.7678 TIMING: 2227600 CPU: 6960.69, 0.00310393/step Wall: 6960.69, 0.00310393/step, 2.39037 hours remaining, 233.843750 MB of memory in use. ENERGY: 2227600 4017.3210 20464.6967 14488.9440 251.9914 -203516.4712 2785.5442 0.0000 0.0000 52054.7932 -109453.1807 299.1596 -161507.9739 -109083.8024 298.2680 -78.5167 -48.9505 765270.2829 16.2597 16.1133 PRESSURE: 2227800 13.611 -45.8511 117.856 -45.8512 -170.27 -156.009 117.856 -156.007 -60.2682 GPRESSURE: 2227800 27.1642 -133.942 172.394 46.9803 -165.511 -161.941 88.6361 -128.779 6.73253 PRESSAVG: 2227800 21.3696 -59.2148 61.3565 -59.2148 -43.1163 12.0954 61.3565 12.0954 -8.15802 GPRESSAVG: 2227800 22.5293 -61.0331 61.1511 -59.2399 -43.9636 11.1864 63.3866 11.5041 -8.22242 TIMING: 2227800 CPU: 6961.32, 0.00312171/step Wall: 6961.32, 0.00312171/step, 2.40389 hours remaining, 233.843750 MB of memory in use. ENERGY: 2227800 4073.7626 20570.8845 14517.8008 259.9981 -203646.7931 2965.7001 0.0000 0.0000 51871.3649 -109387.2821 298.1054 -161258.6470 -109037.9721 299.1469 -72.3090 -43.8715 764030.6680 -9.9682 -9.8856 PRESSURE: 2228000 -162.925 -245.799 41.855 -245.799 59.0302 217.288 41.8547 217.289 -200.081 GPRESSURE: 2228000 -57.1856 -126.411 -0.859783 -185.8 -27.7303 231.319 130.839 71.3156 -142.911 PRESSAVG: 2228000 -65.0782 7.74274 52.1454 7.74274 29.5377 -7.45763 52.1453 -7.45757 10.9962 GPRESSAVG: 2228000 -64.5327 8.47692 54.5681 7.79916 29.9533 -7.96681 50.3997 -4.78203 10.2597 TIMING: 2228000 CPU: 6961.94, 0.00311036/step Wall: 6961.94, 0.00311036/step, 2.39498 hours remaining, 233.843750 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: 2228000 3954.1919 20597.0361 14503.8915 253.6022 -202902.5469 2283.3170 0.0000 0.0000 51773.6181 -109536.8902 297.5437 -161310.5083 -109173.3771 298.3911 -101.3254 -75.9423 763606.3295 -8.1814 -8.1066 PRESSURE: 2228200 -37.9248 143.779 261.301 143.779 -486.067 40.6199 261.301 40.6193 35.455 GPRESSURE: 2228200 -67.9754 189.943 136.051 -41.1572 -393.969 11.6349 320.807 35.516 59.9368 PRESSAVG: 2228200 45.9568 -9.01024 70.1953 -9.01027 -16.079 5.30135 70.1953 5.30136 4.37587 GPRESSAVG: 2228200 45.4518 -7.21235 67.9132 -9.72789 -16.1314 4.54464 68.9241 3.99902 4.51896 TIMING: 2228200 CPU: 6962.56, 0.00312931/step Wall: 6962.56, 0.00312931/step, 2.40939 hours remaining, 233.843750 MB of memory in use. ENERGY: 2228200 3981.2753 20454.9597 14377.0859 243.6393 -203160.7739 2816.3724 0.0000 0.0000 51829.8257 -109457.6156 297.8667 -161287.4413 -109088.7789 298.0194 -162.8457 -134.0026 763697.4134 11.4179 11.2798 LDB: ============= START OF LOAD BALANCING ============== 6975.04 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6975.04 LDB: =============== DONE WITH MIGRATION ================ 6975.04 LDB: ============= START OF LOAD BALANCING ============== 6975.36 LDB: Largest compute 7078 load 0.033855 is 17.4% of average load 0.194963 LDB: Average compute 0.004414 is 2.3% of average load 0.194963 LDB: TIME 6975.36 LOAD: AVG 0.194963 MAX 0.21939 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.906 MB LDB: TIME 6975.37 LOAD: AVG 0.194963 MAX 0.21939 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234 MB LDB: TIME 6975.37 LOAD: AVG 0.194963 MAX 0.215384 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234 MB LDB: ============== END OF LOAD BALANCING =============== 6975.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6975.37 PRESSURE: 2228400 -195.235 -41.3958 -42.5599 -41.395 -343.97 -252.354 -42.5603 -252.355 -116.677 GPRESSURE: 2228400 -73.4034 -85.4479 -73.3741 3.97079 -391.181 -244.59 36.837 -188.665 -97.0455 PRESSAVG: 2228400 3.76835 15.5537 31.088 15.5537 40.963 -7.04603 31.088 -7.04606 6.69249 GPRESSAVG: 2228400 4.6161 13.0477 31.334 17.7277 40.3681 -4.77768 32.6835 -8.6019 6.8306 TIMING: 2228400 CPU: 6963.21, 0.00321343/step Wall: 6963.21, 0.00321343/step, 2.47398 hours remaining, 234.359375 MB of memory in use. ENERGY: 2228400 3936.2552 20531.1575 14418.7352 258.4731 -203251.3698 2595.7180 0.0000 0.0000 52003.5399 -109507.4908 298.8651 -161511.0307 -109154.8662 298.1781 -218.6274 -187.2100 762799.7909 17.1413 17.2716 PRESSURE: 2228600 127.072 184.707 53.293 184.708 -103.31 5.74277 53.2926 5.74238 -179.917 GPRESSURE: 2228600 149.135 336.137 98.5816 73.3825 -80.5902 -9.72195 112.131 87.0439 -154.856 PRESSAVG: 2228600 -29.1925 10.574 62.5045 10.574 9.71095 -8.57345 62.5045 -8.57347 -0.0232792 GPRESSAVG: 2228600 -30.7249 12.3154 63.0469 7.07121 9.82952 -9.43535 62.8676 -6.49212 0.911368 TIMING: 2228600 CPU: 6963.82, 0.00308722/step Wall: 6963.82, 0.00308722/step, 2.37664 hours remaining, 234.562500 MB of memory in use. ENERGY: 2228600 4025.9004 20742.0801 14419.8546 267.4592 -203533.1028 2751.5646 0.0000 0.0000 52004.4904 -109321.7533 298.8705 -161326.2437 -108965.6722 299.1069 -52.0518 -28.7704 761259.1943 -6.5016 -6.6613 PRESSURE: 2228800 -261.267 -155.312 147.784 -155.312 -55.1371 33.2174 147.784 33.2171 -54.906 GPRESSURE: 2228800 -288.002 -5.77801 150.716 -34.7862 24.8102 -6.06757 44.0059 -18.1285 -1.37333 PRESSAVG: 2228800 8.16995 38.1648 49.1469 38.1648 -7.68381 26.7071 49.147 26.7071 12.2555 GPRESSAVG: 2228800 9.37362 41.059 51.7111 38.2364 -7.58489 26.3295 46.5966 28.6816 10.9136 TIMING: 2228800 CPU: 6964.44, 0.00308508/step Wall: 6964.44, 0.00308508/step, 2.37483 hours remaining, 234.562500 MB of memory in use. ENERGY: 2228800 4050.6155 20501.6833 14374.5031 250.3494 -202866.8458 2380.3682 0.0000 0.0000 51956.0757 -109353.2504 298.5923 -161309.3261 -108994.8953 299.3384 -123.7701 -88.1883 762583.5244 4.2472 4.2341 PRESSURE: 2229000 -329.827 -18.3382 36.9426 -18.3383 143.579 -91.4983 36.9422 -91.4987 -147.024 GPRESSURE: 2229000 -337.157 -93.608 160.959 22.6128 135.025 -96.2538 7.01631 -108.745 -49.7285 PRESSAVG: 2229000 -5.61917 10.381 40.14 10.381 27.653 7.93269 40.14 7.93275 -15.0712 GPRESSAVG: 2229000 -6.63135 7.22443 38.1222 12.6675 28.0811 9.40287 39.9021 6.36107 -14.7527 TIMING: 2229000 CPU: 6965.06, 0.00307807/step Wall: 6965.06, 0.00307807/step, 2.36926 hours remaining, 234.562500 MB of memory in use. ENERGY: 2229000 3992.7691 20391.8193 14395.7651 251.3633 -203306.3467 2695.8820 0.0000 0.0000 52304.9078 -109273.8401 300.5970 -161578.7480 -108903.7811 298.9343 -111.0909 -83.9536 762528.6975 2.3209 2.2323 PRESSURE: 2229200 -149.25 -99.9364 -124.183 -99.9359 226.523 207.327 -124.183 207.326 -585.882 GPRESSURE: 2229200 -73.599 -161.267 -173.741 -7.49606 154.277 179.433 -152.484 314.269 -487.008 PRESSAVG: 2229200 -2.01229 22.5568 10.8196 22.5568 -14.8215 23.199 10.8195 23.1991 8.03948 GPRESSAVG: 2229200 -2.06203 22.9332 10.564 20.9187 -14.4428 22.6653 12.8579 20.6583 7.60652 TIMING: 2229200 CPU: 6965.68, 0.00310236/step Wall: 6965.68, 0.00310236/step, 2.38778 hours remaining, 234.562500 MB of memory in use. ENERGY: 2229200 4026.4241 20453.2034 14504.3837 237.6344 -203332.0467 2731.7037 0.0000 0.0000 52079.6516 -109299.0459 299.3025 -161378.6974 -108934.6120 298.8475 -169.5363 -135.4432 762366.3516 -2.9314 -2.9661 PRESSURE: 2229400 11.2912 36.013 -177.066 36.0132 -129.496 -229.107 -177.067 -229.107 -99.7067 GPRESSURE: 2229400 -75.1388 95.4254 -125.453 37.9659 49.6479 -206.248 -100.172 -104.551 -117.275 PRESSAVG: 2229400 -5.60367 13.5022 19.9253 13.5022 47.4616 29.6146 19.9252 29.6146 -17.801 GPRESSAVG: 2229400 -5.74396 14.9165 21.4349 14.1635 47.2043 30.3042 18.0134 31.1252 -17.3047 TIMING: 2229400 CPU: 6966.3, 0.0031086/step Wall: 6966.3, 0.0031086/step, 2.39241 hours remaining, 234.562500 MB of memory in use. ENERGY: 2229400 4017.5190 20515.3687 14443.9087 273.3587 -203204.4054 2797.1180 0.0000 0.0000 52072.6168 -109084.5156 299.2620 -161157.1323 -108710.1576 299.4654 -72.6373 -47.5886 763809.8302 8.0190 8.0519 PRESSURE: 2229600 339.631 -134.139 137.035 -134.138 70.7396 -178.543 137.035 -178.544 -132.202 GPRESSURE: 2229600 309.094 -164.91 87.0511 -10.9481 37.6367 -192.777 110.641 -77.5395 9.00377 PRESSAVG: 2229600 -61.5507 8.87019 21.3369 8.87017 90.2198 20.5133 21.3368 20.5133 3.36801 GPRESSAVG: 2229600 -60.5173 7.09824 20.6763 7.57497 89.6958 20.3131 23.4077 19.3805 2.35353 TIMING: 2229600 CPU: 6966.91, 0.00306628/step Wall: 6966.91, 0.00306628/step, 2.35967 hours remaining, 234.562500 MB of memory in use. ENERGY: 2229600 3963.6356 20790.7767 14481.1136 236.6927 -203440.5687 2948.8041 0.0000 0.0000 52033.2588 -108986.2874 299.0359 -161019.5461 -108619.7609 300.3065 92.7231 118.5782 762669.8578 10.6791 10.5107 PRESSURE: 2229800 442.312 89.3121 -104.385 89.3121 78.9126 65.6289 -104.385 65.6293 -74.7528 GPRESSURE: 2229800 425.32 13.7337 -130.948 112.222 142.083 51.7365 -98.7977 5.11577 -27.1915 PRESSAVG: 2229800 29.0605 91.2235 25.4004 91.2234 8.42585 68.2549 25.4003 68.255 -3.4808 GPRESSAVG: 2229800 29.1005 92.4662 24.6081 91.7412 8.92572 66.7074 25.9047 70.0724 -3.49878 TIMING: 2229800 CPU: 6967.53, 0.00307401/step Wall: 6967.53, 0.00307401/step, 2.36545 hours remaining, 234.562500 MB of memory in use. ENERGY: 2229800 4068.3785 20718.6999 14504.2483 240.1307 -203359.2309 2690.9619 0.0000 0.0000 52087.8041 -109049.0075 299.3493 -161136.8116 -108689.2772 299.7030 148.8241 180.0706 762489.5272 11.3352 11.5091 PRESSURE: 2230000 43.4236 1.73564 -3.21283 1.73639 -72.6654 -177.265 -3.21194 -177.265 236.324 GPRESSURE: 2230000 -4.34631 36.0749 16.3568 18.5931 -17.3279 -139.642 -10.0592 -99.8672 311.855 PRESSAVG: 2230000 -33.3213 70.0338 46.6464 70.0337 38.1151 -4.81914 46.6463 -4.81917 -0.161119 GPRESSAVG: 2230000 -34.5218 71.6642 48.0255 68.3986 39.5398 -1.99777 45.8045 -7.4174 -0.396619 TIMING: 2230000 CPU: 6968.15, 0.00310277/step Wall: 6968.15, 0.00310277/step, 2.38741 hours remaining, 234.562500 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: 2230000 3919.2372 20548.0149 14476.4496 263.7031 -203613.8366 2785.3260 0.0000 0.0000 52337.1966 -109283.9093 300.7826 -161621.1059 -108911.4439 299.6144 69.0274 96.7268 762054.4440 1.5442 1.5404 PRESSURE: 2230200 -453.017 -69.946 -91.984 -69.947 -218.359 -98.6503 -91.9838 -98.6505 155.328 GPRESSURE: 2230200 -472.19 -53.4282 -234.946 -8.52222 -100.771 15.6677 -9.66908 -284.215 146.921 PRESSAVG: 2230200 -30.7588 -23.6974 -31.7098 -23.6974 57.0126 15.9733 -31.7097 15.9733 -17.6768 GPRESSAVG: 2230200 -30.7311 -24.5905 -31.5652 -21.8596 56.683 14.9683 -32.9268 19.5224 -16.9144 TIMING: 2230200 CPU: 6968.76, 0.00307775/step Wall: 6968.76, 0.00307775/step, 2.36799 hours remaining, 234.562500 MB of memory in use. ENERGY: 2230200 4035.8541 20548.8515 14428.5014 266.8183 -203465.1537 2903.8658 0.0000 0.0000 52085.5085 -109195.7540 299.3361 -161281.2625 -108832.7838 299.7801 -172.0161 -142.0136 763498.4002 2.8590 3.0125 PRESSURE: 2230400 267.414 90.5189 205.034 90.5188 34.8065 57.5172 205.034 57.5165 107.731 GPRESSURE: 2230400 175.717 38.8531 70.5397 82.1516 173.982 82.2404 1.5975 -72.8221 141.708 PRESSAVG: 2230400 33.4709 12.411 -52.5334 12.411 7.8532 36.3451 -52.5334 36.345 17.1896 GPRESSAVG: 2230400 33.2109 9.27148 -52.1705 14.0876 8.0224 37.4673 -52.2794 33.566 16.8106 TIMING: 2230400 CPU: 6969.38, 0.00308607/step Wall: 6969.38, 0.00308607/step, 2.37422 hours remaining, 234.562500 MB of memory in use. ENERGY: 2230400 4010.6310 20586.9333 14428.1811 252.1720 -203687.1315 3024.1141 0.0000 0.0000 52282.5885 -109102.5116 300.4688 -161385.1001 -108737.4487 299.5857 136.6507 163.8022 761282.5731 19.5046 19.3480 PRESSURE: 2230600 163.049 -91.9147 56.6151 -91.9142 -181.774 -3.2993 56.6146 -3.29965 18.7108 GPRESSURE: 2230600 130.214 -108.017 7.80441 -83.8827 -89.4471 -20.51 -38.9294 -36.8631 35.3448 PRESSAVG: 2230600 -7.97558 -6.71227 -33.1567 -6.7123 49.4046 16.7584 -33.1567 16.7585 -6.67339 GPRESSAVG: 2230600 -9.33506 -3.2175 -35.5325 -7.80712 49.9112 15.8051 -33.1065 17.8265 -6.54194 TIMING: 2230600 CPU: 6970, 0.003096/step Wall: 6970, 0.003096/step, 2.38168 hours remaining, 234.562500 MB of memory in use. ENERGY: 2230600 4093.6738 20589.4448 14392.0336 246.6425 -203194.0378 2649.1072 0.0000 0.0000 52085.6904 -109137.4455 299.3372 -161223.1358 -108768.3439 300.0634 -0.0047 25.3707 762570.2991 11.5852 11.3447 PRESSURE: 2230800 -62.2307 -55.5209 -82.549 -55.5206 -224.874 113.448 -82.5488 113.448 -68.8859 GPRESSURE: 2230800 4.54297 -63.561 -31.0862 -75.48 -210.815 60.858 -155.792 42.7836 -60.5506 PRESSAVG: 2230800 -48.9136 -14.7209 -49.6131 -14.721 27.6793 2.20484 -49.6132 2.2048 -7.14476 GPRESSAVG: 2230800 -47.3956 -17.2168 -47.9748 -12.8719 25.8613 2.96448 -49.2101 -0.553123 -6.90992 TIMING: 2230800 CPU: 6970.62, 0.00308857/step Wall: 6970.62, 0.00308857/step, 2.37579 hours remaining, 234.562500 MB of memory in use. ENERGY: 2230800 3957.9263 20646.7558 14365.9431 256.3678 -202979.4068 2581.6055 0.0000 0.0000 52170.0358 -109000.7727 299.8219 -161170.8085 -108637.7355 299.4060 -118.6637 -88.9410 762310.6946 -9.4597 -9.4814 PRESSURE: 2231000 -62.7207 201.626 18.6237 201.627 -383.211 36.6955 18.6233 36.6944 -123.071 GPRESSURE: 2231000 -63.4086 122.371 94.7828 191.449 -364.88 37.182 -2.63206 62.5851 -42.2004 PRESSAVG: 2231000 95.9504 32.6808 -57.5685 32.6809 -42.4549 47.4312 -57.5686 47.4312 2.88658 GPRESSAVG: 2231000 95.8077 34.871 -57.2464 31.0785 -42.0189 47.1001 -56.4651 51.8012 2.92305 TIMING: 2231000 CPU: 6971.24, 0.00309461/step Wall: 6971.24, 0.00309461/step, 2.38027 hours remaining, 234.562500 MB of memory in use. ENERGY: 2231000 4027.3363 20359.6512 14367.2845 249.6981 -203610.4529 2844.9630 0.0000 0.0000 52433.8552 -109327.6646 301.3381 -161761.5198 -108973.5085 299.6598 -189.6673 -156.8296 762466.5186 18.7940 18.9039 PRESSURE: 2231200 -103.177 63.8642 0.797603 63.8647 -353.18 239.173 0.798036 239.173 -50.6172 GPRESSURE: 2231200 -81.9574 82.7247 5.18236 48.6139 -208.959 257.842 -35.2075 236.129 -119.549 PRESSAVG: 2231200 28.4751 -20.164 19.341 -20.164 -44.2214 11.5611 19.341 11.561 5.94349 GPRESSAVG: 2231200 27.9924 -21.5902 18.6195 -19.2425 -42.9705 11.8849 15.9755 9.15685 5.24431 TIMING: 2231200 CPU: 6971.85, 0.00309242/step Wall: 6971.85, 0.00309242/step, 2.37841 hours remaining, 234.562500 MB of memory in use. ENERGY: 2231200 4014.6107 20326.8810 14465.0811 236.5350 -203168.6747 2599.2514 0.0000 0.0000 52155.1486 -109371.1670 299.7364 -161526.3157 -109009.0837 299.4981 -168.9912 -136.8220 762482.6515 -3.2676 -3.2446 PRESSURE: 2231400 236.288 16.3708 16.5429 16.3713 -23.5202 -80.0879 16.5427 -80.0884 -329.522 GPRESSURE: 2231400 246.002 -132.593 51.4162 -34.4584 -0.944517 -117.053 38.007 -10.3572 -290.502 PRESSAVG: 2231400 6.31518 -6.27564 -4.84069 -6.27557 7.10067 54.1617 -4.84063 54.1616 -4.74615 GPRESSAVG: 2231400 6.93031 -6.34919 -3.27215 -7.90139 6.23286 52.6165 -3.03984 55.4148 -4.53711 TIMING: 2231400 CPU: 6972.48, 0.00310417/step Wall: 6972.48, 0.00310417/step, 2.38728 hours remaining, 234.562500 MB of memory in use. ENERGY: 2231400 4004.1000 20433.6227 14499.1461 260.3482 -203496.3207 2765.0271 0.0000 0.0000 52070.3228 -109463.7539 299.2489 -161534.0767 -109099.9393 298.8386 -38.9180 -15.1483 762679.7373 2.8899 2.8754 PRESSURE: 2231600 -292.905 178.034 166.328 178.032 -152.927 -236.506 166.328 -236.506 -4.1881 GPRESSURE: 2231600 -201.348 193.988 158.137 99.1264 -136.685 -194.088 199.829 -134.45 -26.8273 PRESSAVG: 2231600 -44.9195 17.833 -0.917924 17.833 20.3802 6.77812 -0.917989 6.77809 5.46748 GPRESSAVG: 2231600 -44.3344 18.2916 -0.757673 18.239 19.5128 6.35221 0.028633 6.26493 5.84623 TIMING: 2231600 CPU: 6973.1, 0.00312481/step Wall: 6973.1, 0.00312481/step, 2.40298 hours remaining, 234.562500 MB of memory in use. ENERGY: 2231600 4072.3235 20527.3326 14395.8685 249.7880 -203379.3170 2674.9210 0.0000 0.0000 52030.9463 -109428.1372 299.0226 -161459.0835 -109068.1306 298.6991 -150.0066 -121.6201 763137.1205 -6.3573 -6.3251 PRESSURE: 2231800 118.079 -110.616 328.275 -110.616 -137.856 368.032 328.275 368.031 8.29495 GPRESSURE: 2231800 165.399 -105.999 215.202 -45.5277 -135.809 377.869 427.42 514.141 37.6357 PRESSAVG: 2231800 -22.1336 -18.546 -10.1322 -18.546 23.1355 -7.38242 -10.1322 -7.38243 3.99663 GPRESSAVG: 2231800 -22.1372 -17.323 -11.9892 -19.6535 23.5997 -5.75139 -11.604 -7.74842 3.41227 TIMING: 2231800 CPU: 6973.72, 0.00311069/step Wall: 6973.72, 0.00311069/step, 2.39195 hours remaining, 234.562500 MB of memory in use. ENERGY: 2231800 4009.9114 20554.1703 14433.7273 242.8561 -203415.6382 3077.9695 0.0000 0.0000 52034.2565 -109062.7472 299.0416 -161097.0036 -108705.8341 298.7472 -3.8272 22.4085 763721.9170 1.6662 1.6249 PRESSURE: 2232000 -83.0094 132.016 123.16 132.016 113.211 -97.3475 123.161 -97.348 318.236 GPRESSURE: 2232000 -92.6446 49.231 136.102 160.594 198.867 -148.551 145.846 -43.5602 333.403 PRESSAVG: 2232000 -46.5255 -28.4561 56.7446 -28.456 42.5634 10.1778 56.7446 10.1778 0.188807 GPRESSAVG: 2232000 -48.3739 -30.664 58.1294 -25.8917 43.6092 11.4262 58.2614 9.0647 0.995881 TIMING: 2232000 CPU: 6974.34, 0.00310703/step Wall: 6974.34, 0.00310703/step, 2.38896 hours remaining, 234.562500 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: 2232000 3997.3501 20437.0947 14470.3366 229.6180 -203689.4669 3147.5535 0.0000 0.0000 52350.4407 -109057.0734 300.8587 -161407.5140 -108686.7097 299.7004 116.1459 146.5418 763551.2212 -1.2578 -1.2563 PRESSURE: 2232200 -256.801 185.816 -243.461 185.817 -134.689 32.6547 -243.461 32.6546 70.5357 GPRESSURE: 2232200 -143.405 138.902 -241.363 94.4443 -172.502 55.1577 -298.227 -0.0882873 76.2864 PRESSAVG: 2232200 -49.2018 69.9259 -3.52922 69.9258 16.602 1.12828 -3.52926 1.12822 7.85217 GPRESSAVG: 2232200 -47.9503 72.793 -3.40361 68.4591 16.2472 0.946378 -5.18873 2.05211 7.18062 TIMING: 2232200 CPU: 6974.97, 0.00311382/step Wall: 6974.97, 0.00311382/step, 2.39401 hours remaining, 234.562500 MB of memory in use. ENERGY: 2232200 3961.5016 20495.2596 14535.8075 245.2602 -202970.0954 2523.8711 0.0000 0.0000 52254.4856 -108953.9097 300.3072 -161208.3953 -108605.1702 299.6163 -106.9849 -79.8733 762854.7984 -8.2492 -8.1742 LDB: ============= START OF LOAD BALANCING ============== 6987.44 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6987.44 LDB: =============== DONE WITH MIGRATION ================ 6987.44 LDB: ============= START OF LOAD BALANCING ============== 6987.75 LDB: Largest compute 7078 load 0.032915 is 16.9% of average load 0.195010 LDB: Average compute 0.004429 is 2.3% of average load 0.195010 LDB: TIME 6987.76 LOAD: AVG 0.19501 MAX 0.215256 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.109 MB LDB: TIME 6987.76 LOAD: AVG 0.19501 MAX 0.215256 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.109 MB LDB: TIME 6987.76 LOAD: AVG 0.19501 MAX 0.215256 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.109 MB LDB: ============== END OF LOAD BALANCING =============== 6987.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6987.76 PRESSURE: 2232400 17.2223 -3.45563 -172.75 -3.45502 426.036 339.768 -172.749 339.768 -111.924 GPRESSURE: 2232400 57.4854 56.1089 -256.33 -5.88708 441.189 305.157 -169.261 265.285 -97.3652 PRESSAVG: 2232400 -5.40418 -6.87652 -7.85311 -6.87658 25.076 59.757 -7.85311 59.7571 6.93046 GPRESSAVG: 2232400 -5.78394 -9.70488 -8.09426 -4.86585 25.0484 59.9062 -7.9042 58.9171 7.22941 TIMING: 2232400 CPU: 6975.6, 0.00315453/step Wall: 6975.6, 0.00315453/step, 2.42513 hours remaining, 234.820312 MB of memory in use. ENERGY: 2232400 4045.7143 20590.3622 14517.5741 252.7530 -203176.5480 2820.6856 0.0000 0.0000 51944.0127 -109005.4461 298.5230 -160949.4588 -108651.1745 299.6380 110.4448 133.7696 762546.2692 8.8674 8.8313 PRESSURE: 2232600 -179.143 36.2128 73.3896 36.2122 -314.715 15.8766 73.3898 15.8779 2.26014 GPRESSURE: 2232600 -199.133 10.6653 29.8773 -55.9632 -254.976 44.2146 137.453 -223.184 27.2693 PRESSAVG: 2232600 3.98419 13.5722 49.218 13.5721 15.3036 11.467 49.218 11.467 0.694716 GPRESSAVG: 2232600 4.35312 14.9312 49.4503 12.7015 14.5288 12.0391 49.4456 10.1523 0.878815 TIMING: 2232600 CPU: 6976.22, 0.00310369/step Wall: 6976.22, 0.00310368/step, 2.38587 hours remaining, 234.820312 MB of memory in use. ENERGY: 2232600 4018.7702 20448.9735 14418.2573 233.8236 -203217.1163 2839.9199 0.0000 0.0000 52161.4291 -109095.9427 299.7725 -161257.3718 -108731.0660 299.6603 -163.8662 -142.2801 765330.6600 6.6608 6.5869 PRESSURE: 2232800 67.1788 -258.098 -119.809 -258.098 35.816 -4.15452 -119.809 -4.15346 70.1549 GPRESSURE: 2232800 120.447 -196.986 -121.89 -185.972 17.2439 -78.2469 -115.46 11.9734 108.457 PRESSAVG: 2232800 3.07404 11.9795 14.2269 11.9795 -9.62693 -24.7119 14.2269 -24.7119 -6.67354 GPRESSAVG: 2232800 4.51382 13.9486 13.4934 10.8578 -9.9653 -25.2913 15.3289 -22.8543 -7.8622 TIMING: 2232800 CPU: 6976.84, 0.00309079/step Wall: 6976.84, 0.0030908/step, 2.37579 hours remaining, 234.820312 MB of memory in use. ENERGY: 2232800 3953.2995 20352.1081 14497.4885 256.5364 -203281.2180 2783.8455 0.0000 0.0000 52087.8068 -109350.1332 299.3493 -161437.9399 -108992.5824 299.2770 57.7166 82.0494 763737.4747 -4.4088 -4.4379 PRESSURE: 2233000 -143.342 -6.95072 -56.6757 -6.94938 179.833 -18.1723 -56.6762 -18.1718 -282.497 GPRESSURE: 2233000 -108.678 83.7547 -79.6842 170.024 157.601 -37.4237 -0.811386 -71.6321 -206.07 PRESSAVG: 2233000 38.3747 7.74279 -3.31233 7.74285 -5.76771 28.0137 -3.3123 28.0138 -10.7141 GPRESSAVG: 2233000 36.4252 4.26338 -1.83391 10.6507 -5.05028 25.3651 -4.08528 28.904 -9.41756 TIMING: 2233000 CPU: 6977.45, 0.00306869/step Wall: 6977.45, 0.00306869/step, 2.35863 hours remaining, 234.820312 MB of memory in use. ENERGY: 2233000 3944.8260 20405.1395 14495.6228 235.5299 -203310.3773 2959.6107 0.0000 0.0000 51889.3155 -109380.3329 298.2086 -161269.6483 -109030.5520 298.6641 -82.0017 -52.3823 763938.7138 7.2976 7.3191 PRESSURE: 2233200 -157.135 -4.04475 108.184 -4.04489 -482.277 -98.1643 108.184 -98.1641 -202.389 GPRESSURE: 2233200 -186.844 6.04885 53.5893 5.09153 -428.457 -71.3593 207.842 -63.4016 -119.398 PRESSAVG: 2233200 -16.21 12.5883 16.1853 12.5883 -5.06493 -24.2925 16.1853 -24.2925 -9.71624 GPRESSAVG: 2233200 -16.2346 15.0372 14.1526 11.3295 -4.20998 -23.5526 15.1964 -23.0626 -9.98081 TIMING: 2233200 CPU: 6978.06, 0.00307273/step Wall: 6978.06, 0.00307273/step, 2.36157 hours remaining, 234.820312 MB of memory in use. ENERGY: 2233200 4051.8671 20350.2541 14394.9786 240.2866 -203257.7834 2718.2047 0.0000 0.0000 52186.2997 -109315.8927 299.9154 -161502.1923 -108949.9468 298.4762 -280.6003 -244.8995 763399.0558 -10.3304 -10.1418 PRESSURE: 2233400 -197.81 -63.2822 27.2823 -63.2813 -149.315 120.399 27.2825 120.399 -390.225 GPRESSURE: 2233400 -132.222 -195.718 71.551 -77.5191 -150.588 129.484 -23.5655 87.5234 -381.836 PRESSAVG: 2233400 28.6507 1.47366 3.41475 1.47364 9.16051 -48.9925 3.41478 -48.9926 6.56283 GPRESSAVG: 2233400 29.4817 0.708863 3.87193 0.83298 8.325 -48.8176 5.46657 -49.8003 6.25017 TIMING: 2233400 CPU: 6978.68, 0.00308934/step Wall: 6978.68, 0.00308934/step, 2.37416 hours remaining, 234.820312 MB of memory in use. ENERGY: 2233400 4017.5708 20556.1727 14424.6205 289.8174 -203055.3092 2935.1287 0.0000 0.0000 51703.4282 -109128.5710 297.1403 -160831.9992 -108773.2981 298.7499 -245.7832 -221.5486 764103.0633 14.7914 14.6856 PRESSURE: 2233600 78.8868 -40.1885 -164.556 -40.188 90.1004 138.854 -164.555 138.854 433.473 GPRESSURE: 2233600 124.568 -56.2783 -163.686 42.0586 190.032 125.698 -58.6381 170.383 378.49 PRESSAVG: 2233600 5.99895 26.592 7.41779 26.592 28.8103 -20.7944 7.41772 -20.7944 -10.1773 GPRESSAVG: 2233600 3.47231 27.8734 6.77914 26.0764 30.0816 -20.6762 6.83063 -21.1703 -9.45548 TIMING: 2233600 CPU: 6979.3, 0.00310281/step Wall: 6979.3, 0.00310281/step, 2.38434 hours remaining, 234.820312 MB of memory in use. ENERGY: 2233600 3883.1103 20429.6249 14404.0279 236.0844 -203182.3789 3065.9321 0.0000 0.0000 52089.1849 -109074.4145 299.3573 -161163.5993 -108712.9011 299.1032 200.8200 231.0296 764479.8762 8.2106 8.0328 PRESSURE: 2233800 83.305 131.92 180.28 131.919 -211.549 -90.5637 180.279 -90.5646 -27.7503 GPRESSURE: 2233800 103.415 142.908 147.488 82.7609 -135.424 -183.052 -7.44881 -89.3391 -54.061 PRESSAVG: 2233800 -9.39661 -29.3298 -4.39378 -29.3298 63.1576 11.8336 -4.39379 11.8336 -1.38822 GPRESSAVG: 2233800 -7.05127 -29.8804 -1.4671 -28.523 61.4977 12.3432 -5.42063 12.1694 -1.23789 TIMING: 2233800 CPU: 6979.93, 0.00311849/step Wall: 6979.93, 0.00311849/step, 2.39622 hours remaining, 234.820312 MB of memory in use. ENERGY: 2233800 3960.7331 20542.7647 14489.7692 255.0442 -203412.2505 2712.5803 0.0000 0.0000 52282.0517 -109169.3073 300.4657 -161451.3590 -108807.2998 299.0578 -51.9980 -28.6899 762627.6359 17.4576 17.7362 PRESSURE: 2234000 -246.359 -77.2901 323.594 -77.29 -86.2837 111.668 323.595 111.666 72.9517 GPRESSURE: 2234000 -159.822 -35.4594 247.93 -206.872 -109.405 117.451 318.119 75.0093 94.6714 PRESSAVG: 2234000 3.78603 -3.59366 36.055 -3.59367 28.5216 -4.42858 36.055 -4.4286 6.61537 GPRESSAVG: 2234000 4.09468 -3.15256 33.021 -5.74574 28.6456 -4.96799 37.3883 -5.82791 6.38146 TIMING: 2234000 CPU: 6980.55, 0.00309202/step Wall: 6980.55, 0.00309202/step, 2.3757 hours remaining, 234.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2234000 4064.2178 20548.3556 14465.2049 251.4792 -203583.8189 2986.0315 0.0000 0.0000 52140.4182 -109128.1117 299.6517 -161268.5299 -108772.8160 299.4730 -86.5637 -58.1851 762483.1588 12.9743 13.0406 PRESSURE: 2234200 -170.846 48.5317 -48.7657 48.5312 -6.15755 12.8541 -48.7665 12.8548 199.266 GPRESSURE: 2234200 -60.9372 2.88402 -42.7614 159.402 -31.7805 25.1452 22.5495 -47.6964 187.678 PRESSAVG: 2234200 46.0812 0.852964 8.9308 0.852943 -49.7899 -70.3649 8.93078 -70.365 7.28162 GPRESSAVG: 2234200 45.4931 1.99039 9.67386 2.9434 -50.4347 -70.2398 7.57376 -67.5621 8.45753 TIMING: 2234200 CPU: 6981.17, 0.00311677/step Wall: 6981.17, 0.00311677/step, 2.39454 hours remaining, 234.820312 MB of memory in use. ENERGY: 2234200 3945.4995 20368.0553 14449.2640 238.3528 -203402.8705 2835.9842 0.0000 0.0000 52347.5480 -109218.1666 300.8421 -161565.7147 -108842.9456 299.2090 7.4208 31.6533 763883.1436 1.1910 1.1720 PRESSURE: 2234400 5.38307 -14.6416 101.537 -14.6419 -189.986 -316.849 101.537 -316.849 289.66 GPRESSURE: 2234400 58.4534 -73.7873 101.602 60.5429 -218.086 -242.863 196.506 -377.857 323.707 PRESSAVG: 2234400 46.3539 -43.7977 1.90137 -43.7977 -35.4725 0.647229 1.90139 0.64719 -1.88452 GPRESSAVG: 2234400 47.3883 -45.1097 3.11727 -44.9869 -34.2874 2.33066 3.07217 -0.670553 -4.09322 TIMING: 2234400 CPU: 6981.79, 0.0030952/step Wall: 6981.79, 0.0030952/step, 2.3778 hours remaining, 234.820312 MB of memory in use. ENERGY: 2234400 3946.6724 20457.3345 14406.5648 257.7356 -203317.9655 2943.3032 0.0000 0.0000 52047.4989 -109258.8562 299.1177 -161306.3550 -108901.9602 299.2884 35.0190 54.6916 762309.3776 2.9990 3.0026 PRESSURE: 2234600 47.3217 114.964 109.254 114.964 -217.034 8.35664 109.253 8.35654 436.483 GPRESSURE: 2234600 86.7719 114.787 59.6585 132.79 -155.411 8.08213 41.4738 -63.8083 410.848 PRESSAVG: 2234600 2.22616 -66.1454 -9.75469 -66.1454 -1.3263 -8.92772 -9.7547 -8.92772 18.1436 GPRESSAVG: 2234600 2.38903 -66.5902 -9.02062 -66.0033 -2.19613 -9.85199 -11.0981 -9.75143 19.0955 TIMING: 2234600 CPU: 6982.4, 0.00307223/step Wall: 6982.4, 0.00307223/step, 2.35998 hours remaining, 234.820312 MB of memory in use. ENERGY: 2234600 4017.7168 20605.1393 14449.7293 227.3530 -203517.7695 2743.0074 0.0000 0.0000 52066.6934 -109408.1302 299.2280 -161474.8236 -109042.7261 299.1920 88.9237 114.0695 760827.8215 6.3478 6.4295 PRESSURE: 2234800 243.491 37.1727 -40.444 37.1719 323.315 175.51 -40.4439 175.511 -32.8536 GPRESSURE: 2234800 278.385 84.7339 -54.1016 41.9576 349.392 166.412 -35.9507 138.9 -20.9199 PRESSAVG: 2234800 7.09389 9.33249 16.585 9.33256 -28.2216 3.03503 16.585 3.03497 -7.84784 GPRESSAVG: 2234800 6.40429 8.32607 17.2129 9.27398 -26.3002 2.2113 16.4163 3.5474 -9.19691 TIMING: 2234800 CPU: 6983.02, 0.00308076/step Wall: 6983.02, 0.00308077/step, 2.36637 hours remaining, 234.820312 MB of memory in use. ENERGY: 2234800 4030.7017 20501.9704 14395.3969 239.4808 -203762.6533 3117.4238 0.0000 0.0000 52120.0341 -109357.6456 299.5346 -161477.6797 -108998.3420 299.1370 177.9842 202.2856 760697.5086 -9.6585 -9.6976 PRESSURE: 2235000 -89.566 359.185 78.2692 359.186 -121.859 173.674 78.2693 173.674 -161.006 GPRESSURE: 2235000 -27.4271 236.31 80.4603 354.62 -16.5145 126.703 126.075 160.209 -240.143 PRESSAVG: 2235000 30.6322 36.7208 -11.4641 36.7208 -24.3323 15.8357 -11.4642 15.8356 -19.7912 GPRESSAVG: 2235000 31.8921 40.1132 -12.0383 36.9226 -25.4863 17.51 -11.4759 14.9491 -20.1641 TIMING: 2235000 CPU: 6983.64, 0.00309053/step Wall: 6983.64, 0.00309053/step, 2.3737 hours remaining, 234.820312 MB of memory in use. ENERGY: 2235000 3997.8733 20455.9711 14388.4471 242.9963 -203291.2253 2725.5053 0.0000 0.0000 51942.2331 -109538.1991 298.5127 -161480.4322 -109164.7613 298.8632 -124.1434 -94.6950 762308.4886 -4.4971 -4.5861 PRESSURE: 2235200 -117.343 -40.0071 -65.2442 -40.0071 -335.565 -76.9255 -65.2449 -76.9268 -17.1308 GPRESSURE: 2235200 -39.9002 18.8954 -55.6847 -56.0772 -321.265 -121.287 -59.4396 10.0689 -23.7791 PRESSAVG: 2235200 46.7929 33.0721 18.6921 33.072 3.30788 -8.48532 18.6921 -8.48533 -4.74528 GPRESSAVG: 2235200 45.4292 30.2578 18.3786 31.6394 3.92485 -9.78567 20.3892 -6.40349 -4.25731 TIMING: 2235200 CPU: 6984.26, 0.00310029/step Wall: 6984.26, 0.00310029/step, 2.38102 hours remaining, 234.820312 MB of memory in use. ENERGY: 2235200 3960.5361 20485.5234 14522.7342 252.4023 -202880.8378 2547.0405 0.0000 0.0000 51873.6063 -109238.9950 298.1183 -161112.6013 -108881.4300 299.0262 -156.6797 -128.3148 764409.6393 15.1185 15.0322 PRESSURE: 2235400 -480.765 138.088 3.4771 138.088 123.1 132.46 3.47768 132.46 -256.707 GPRESSURE: 2235400 -451.579 135.055 45.2941 48.5802 175.635 163.211 82.901 46.7116 -252.134 PRESSAVG: 2235400 0.82045 4.28482 50.3452 4.28478 -29.8702 21.6536 50.3452 21.6536 9.2287 GPRESSAVG: 2235400 1.51135 5.53715 51.1434 5.86532 -31.133 21.0873 48.0185 19.9731 9.73106 TIMING: 2235400 CPU: 6984.88, 0.00312059/step Wall: 6984.88, 0.00312059/step, 2.39644 hours remaining, 234.820312 MB of memory in use. ENERGY: 2235400 4072.9623 20546.2159 14449.6996 269.6187 -203149.6493 2553.3270 0.0000 0.0000 51970.0249 -109287.8008 298.6724 -161257.8257 -108926.8578 298.9559 -204.7909 -176.0262 764572.5782 -6.6070 -6.6302 PRESSURE: 2235600 -193.283 61.5781 -95.136 61.5784 100.643 -67.3929 -95.1358 -67.3928 -190.941 GPRESSURE: 2235600 -188.388 36.522 -174.05 -37.8429 112.976 -150.159 -60.3185 46.9913 -129.551 PRESSAVG: 2235600 59.7628 0.771439 -35.5822 0.771487 -50.3501 17.0645 -35.5822 17.0646 16.0465 GPRESSAVG: 2235600 58.5769 1.24117 -36.961 0.616337 -50.4124 17.5015 -32.4842 17.6232 17.5643 TIMING: 2235600 CPU: 6985.5, 0.00310215/step Wall: 6985.5, 0.00310215/step, 2.38211 hours remaining, 234.820312 MB of memory in use. ENERGY: 2235600 4040.1298 20429.2599 14409.0750 229.7302 -203223.9930 2688.9307 0.0000 0.0000 52240.1604 -109186.7069 300.2249 -161426.8673 -108821.8121 298.9214 -94.5267 -68.3210 764938.8822 8.4864 8.5763 PRESSURE: 2235800 -294.618 109.545 28.4943 109.545 -228.551 -220.432 28.4953 -220.433 -102.489 GPRESSURE: 2235800 -178.179 97.4363 43.4424 89.3152 -212.611 -153.657 91.9175 -308.162 -153.936 PRESSAVG: 2235800 10.4359 4.34488 -45.5944 4.34493 -0.82212 -36.863 -45.5943 -36.863 -4.88987 GPRESSAVG: 2235800 11.8647 3.98637 -46.0167 5.77623 -0.160339 -34.3078 -45.2567 -35.4094 -6.02953 TIMING: 2235800 CPU: 6986.12, 0.00310728/step Wall: 6986.12, 0.00310728/step, 2.38587 hours remaining, 234.820312 MB of memory in use. ENERGY: 2235800 4034.7302 20533.1344 14450.8100 264.1241 -203464.5881 2643.7574 0.0000 0.0000 52270.6109 -109267.4212 300.3999 -161538.0322 -108892.3646 299.2319 -208.5528 -181.5757 761417.0253 1.5746 1.8916 PRESSURE: 2236000 -31.4359 -43.2328 248.991 -43.2334 -70.3071 -110.243 248.991 -110.244 -296.436 GPRESSURE: 2236000 62.2549 -190.529 264.558 -64.3706 -53.165 -53.7127 68.5584 -138.394 -307.216 PRESSAVG: 2236000 33.8991 -29.1911 -5.05226 -29.1912 21.1623 -52.0324 -5.05233 -52.0324 6.75719 GPRESSAVG: 2236000 34.7207 -31.0797 -4.99946 -31.3045 20.5199 -52.8627 -5.84629 -54.1734 6.21429 TIMING: 2236000 CPU: 6986.74, 0.00309519/step Wall: 6986.74, 0.00309519/step, 2.37642 hours remaining, 234.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2236000 3969.1542 20429.6600 14457.1922 262.2910 -202926.6188 2488.4281 0.0000 0.0000 51960.9956 -109358.8976 298.6206 -161319.8933 -108986.5410 299.8497 -132.7265 -99.3752 762482.4520 20.6062 20.4850 PRESSURE: 2236200 -2.79464 -167.951 -210.326 -167.951 -112.87 28.1479 -210.326 28.1489 23.9532 GPRESSURE: 2236200 25.3092 -184.734 -278.197 -60.1387 -78.3922 81.4844 -176.025 68.8344 33.6979 PRESSAVG: 2236200 25.9048 -23.1098 -40.97 -23.1098 14.2465 -31.4797 -40.97 -31.4798 1.05771 GPRESSAVG: 2236200 23.8419 -22.8527 -42.3095 -22.0446 15.6893 -32.9081 -41.815 -29.3549 1.93402 TIMING: 2236200 CPU: 6987.36, 0.00310191/step Wall: 6987.36, 0.00310191/step, 2.38141 hours remaining, 234.820312 MB of memory in use. ENERGY: 2236200 4055.3351 20621.5329 14426.4055 251.0082 -203383.7387 2641.1413 0.0000 0.0000 51987.6402 -109400.6755 298.7737 -161388.3157 -109045.8193 298.5487 -30.5705 -6.4617 762535.4767 13.7364 13.8217 LDB: ============= START OF LOAD BALANCING ============== 6999.84 LDB: ============== END OF LOAD BALANCING =============== 6999.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6999.84 LDB: ============= START OF LOAD BALANCING ============== 7000.15 LDB: Largest compute 7078 load 0.032161 is 16.5% of average load 0.195061 LDB: Average compute 0.004413 is 2.3% of average load 0.195061 LDB: TIME 7000.16 LOAD: AVG 0.195061 MAX 0.21926 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.461 MB LDB: TIME 7000.16 LOAD: AVG 0.195061 MAX 0.21926 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.555 MB LDB: TIME 7000.16 LOAD: AVG 0.195061 MAX 0.217145 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.555 MB LDB: ============== END OF LOAD BALANCING =============== 7000.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7000.16 PRESSURE: 2236400 -260.217 34.4437 220.17 34.4437 -567.257 -85.3598 220.17 -85.3603 -133.06 GPRESSURE: 2236400 -196.278 12.3989 122.935 20.4892 -525.257 16.4335 239.981 -21.6039 -155.235 PRESSAVG: 2236400 5.1576 1.83663 19.6776 1.83664 -24.5284 -6.06171 19.6775 -6.06175 1.58107 GPRESSAVG: 2236400 6.80913 2.84744 21.4809 1.6836 -25.3234 -5.0308 19.1879 -7.96486 0.795739 TIMING: 2236400 CPU: 6988, 0.00317463/step Wall: 6988, 0.00317463/step, 2.43706 hours remaining, 234.253906 MB of memory in use. ENERGY: 2236400 4002.5544 20563.6722 14450.4302 261.1575 -203232.1823 2286.5210 0.0000 0.0000 52176.7522 -109491.0947 299.8605 -161667.8469 -109130.4968 298.9953 -320.1780 -292.2567 762687.8162 -5.9299 -5.9062 PRESSURE: 2236600 89.3999 68.3914 -96.4558 68.3908 -305.861 26.3646 -96.4566 26.3651 -191.329 GPRESSURE: 2236600 133.47 56.5675 -87.2281 97.5952 -219.214 25.5075 -29.028 46.0934 -219.569 PRESSAVG: 2236600 44.0206 10.0661 -5.91625 10.0661 -83.7745 21.0112 -5.91619 21.0111 -2.47103 GPRESSAVG: 2236600 43.4329 8.34831 -5.75588 10.1758 -82.8952 20.1893 -5.3107 22.8397 -2.55058 TIMING: 2236600 CPU: 6988.62, 0.00309478/step Wall: 6988.62, 0.00309478/step, 2.37559 hours remaining, 234.253906 MB of memory in use. ENERGY: 2236600 3958.1050 20421.7984 14426.2012 254.4319 -203313.9917 2746.2228 0.0000 0.0000 52212.8953 -109294.3371 300.0682 -161507.2324 -108942.4295 298.8476 -135.9300 -101.7710 761647.2679 -14.0750 -14.0043 PRESSURE: 2236800 -12.6336 -310.044 17.121 -310.045 -211.59 -47.64 17.1211 -47.6409 -142.301 GPRESSURE: 2236800 -73.3297 -231.919 19.3064 -223.123 -85.1392 -23.5063 -144.556 -125.54 -130.157 PRESSAVG: 2236800 16.971 -36.4783 68.3516 -36.4783 20.7588 -36.0844 68.3516 -36.0844 9.53602 GPRESSAVG: 2236800 15.5465 -32.615 66.7058 -37.0792 21.2518 -35.0212 68.6786 -38.1317 9.82525 TIMING: 2236800 CPU: 6989.23, 0.00309395/step Wall: 6989.23, 0.00309395/step, 2.37478 hours remaining, 234.253906 MB of memory in use. ENERGY: 2236800 3904.7518 20477.6700 14466.5131 265.3403 -203259.0440 2645.0311 0.0000 0.0000 52030.0924 -109469.6453 299.0177 -161499.7376 -109102.1311 298.8722 -122.1748 -96.2088 761820.8359 15.7553 15.5412 PRESSURE: 2237000 312.633 -5.01482 222.278 -5.01458 20.8669 -47.5125 222.277 -47.5125 -13.7969 GPRESSURE: 2237000 321.61 -72.5471 334.062 10.3951 25.2217 -86.512 290.819 -15.3461 45.6429 PRESSAVG: 2237000 29.4157 9.79361 46.8181 9.79365 -35.982 32.1436 46.818 32.1436 -1.99217 GPRESSAVG: 2237000 31.176 6.48306 48.8594 10.1042 -37.9108 30.2935 45.121 34.9605 -1.35966 TIMING: 2237000 CPU: 6989.85, 0.00307931/step Wall: 6989.85, 0.00307931/step, 2.36337 hours remaining, 234.253906 MB of memory in use. ENERGY: 2237000 3997.2279 20491.8595 14416.5826 237.1876 -203465.2609 2716.5266 0.0000 0.0000 51998.9836 -109606.8933 298.8389 -161605.8768 -109254.9563 298.4977 106.5675 130.8249 762520.3915 -2.8528 -2.6981 PRESSURE: 2237200 -294.983 167.274 -170.892 167.274 -413.013 125.097 -170.892 125.097 -605.766 GPRESSURE: 2237200 -206.021 136.195 -215.485 211.771 -382.659 77.2225 -20.1425 276.672 -634.864 PRESSAVG: 2237200 51.351 9.86296 -16.4752 9.86302 -17.759 0.882319 -16.4752 0.882424 7.6847 GPRESSAVG: 2237200 50.6647 10.0405 -16.9509 11.2525 -17.4608 2.54514 -16.0765 0.0550042 7.60006 TIMING: 2237200 CPU: 6990.47, 0.00309764/step Wall: 6990.47, 0.00309764/step, 2.37727 hours remaining, 234.253906 MB of memory in use. ENERGY: 2237200 4000.0995 20607.3084 14463.3554 254.2893 -203187.6172 2576.0790 0.0000 0.0000 51674.3519 -109612.1336 296.9732 -161286.4855 -109261.5728 298.0093 -437.9206 -407.8478 763451.5440 13.7589 13.6013 PRESSURE: 2237400 -165.404 -116.006 -131.644 -116.006 111.809 -52.0869 -131.643 -52.0866 -157.669 GPRESSURE: 2237400 -177.155 -61.9916 -75.2456 -69.688 138.803 -64.0172 -197.648 -174.167 -73.264 PRESSAVG: 2237400 0.591041 -24.7376 -26.3422 -24.7377 -22.9066 -10.9647 -26.3421 -10.9647 -7.83193 GPRESSAVG: 2237400 0.594687 -25.502 -26.0486 -25.1238 -23.8899 -13.341 -27.7399 -9.78345 -7.08873 TIMING: 2237400 CPU: 6991.09, 0.00310787/step Wall: 6991.09, 0.00310788/step, 2.38495 hours remaining, 234.253906 MB of memory in use. ENERGY: 2237400 3936.8280 20417.0572 14467.9175 250.4287 -203337.9709 2727.6206 0.0000 0.0000 52029.6947 -109508.4242 299.0154 -161538.1189 -109141.3835 298.0354 -70.4213 -37.2054 762711.9187 -10.0491 -10.1280 PRESSURE: 2237600 304.997 40.8718 96.108 40.8717 254.727 43.2771 96.1082 43.2763 144.684 GPRESSURE: 2237600 290.588 33.3359 49.3698 75.7988 310.405 103.599 154.628 57.9512 187.719 PRESSAVG: 2237600 17.2883 -5.45106 -1.52078 -5.45108 -26.7998 13.523 -1.52077 13.5231 -6.86477 GPRESSAVG: 2237600 17.4097 -4.65892 -4.04213 -5.47866 -25.894 16.1741 -0.139931 11.1196 -8.41317 TIMING: 2237600 CPU: 6991.71, 0.00309218/step Wall: 6991.71, 0.00309218/step, 2.37273 hours remaining, 234.253906 MB of memory in use. ENERGY: 2237600 3906.4756 20431.1903 14423.5431 236.7427 -203887.2498 3207.6379 0.0000 0.0000 52157.6289 -109524.0315 299.7506 -161681.6603 -109162.5287 298.5236 234.8025 262.9037 764384.6119 -5.4587 -5.6325 PRESSURE: 2237800 -22.7464 258.559 -73.4015 258.56 89.9469 -0.597295 -73.4022 -0.597012 205.086 GPRESSURE: 2237800 -37.8748 274.299 -146.707 202.386 175.134 -38.924 27.1436 31.5492 208.007 PRESSAVG: 2237800 -30.5359 8.24835 22.7608 8.24828 -4.64985 53.8302 22.7607 53.8302 -6.76947 GPRESSAVG: 2237800 -30.5065 8.74336 25.2244 9.51168 -4.92694 52.9052 22.1871 55.7684 -6.4057 TIMING: 2237800 CPU: 6992.33, 0.00309528/step Wall: 6992.33, 0.00309528/step, 2.37494 hours remaining, 234.253906 MB of memory in use. ENERGY: 2237800 3874.0731 20544.6395 14404.7461 252.4803 -203519.3866 2767.7850 0.0000 0.0000 52146.3822 -109529.2804 299.6860 -161675.6626 -109170.0170 298.7847 90.7621 115.0887 762549.5277 -13.9851 -13.9464 PRESSURE: 2238000 -56.4532 -100.257 -159.806 -100.256 41.0039 96.5947 -159.807 96.5952 -336.409 GPRESSURE: 2238000 -66.4873 -147.845 -173.793 -92.9979 37.9722 70.1764 -205.79 126.679 -244.835 PRESSAVG: 2238000 -45.5329 27.1462 8.67181 27.1462 62.7987 -31.2948 8.67169 -31.2948 5.51882 GPRESSAVG: 2238000 -44.2021 30.4745 7.77952 23.969 61.9776 -30.4563 10.2888 -33.0771 4.80936 TIMING: 2238000 CPU: 6992.95, 0.00310358/step Wall: 6992.95, 0.00310358/step, 2.38113 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2238000 4039.3064 20619.8660 14386.5179 240.0840 -203142.7665 2642.6113 0.0000 0.0000 51904.4465 -109309.9345 298.2956 -161214.3810 -108952.9669 298.9646 -117.2862 -91.1166 763392.0706 7.5949 7.5283 PRESSURE: 2238200 3.39141 -402.303 77.6578 -402.303 -226.718 148.417 77.6579 148.416 -74.9262 GPRESSURE: 2238200 35.7049 -332.285 110.768 -420.117 -132.905 118.901 -43.6471 42.5453 -133.663 PRESSAVG: 2238200 -13.5744 25.2669 10.7132 25.2669 9.98493 -12.7157 10.7132 -12.7157 9.65211 GPRESSAVG: 2238200 -14.7339 23.6284 9.54069 26.8057 11.6099 -13.7915 9.47609 -13.2745 9.40004 TIMING: 2238200 CPU: 6993.57, 0.00311609/step Wall: 6993.57, 0.00311609/step, 2.39056 hours remaining, 234.253906 MB of memory in use. ENERGY: 2238200 3918.0750 20636.9918 14427.3872 238.0887 -202780.0888 2229.6812 0.0000 0.0000 52234.6034 -109095.2615 300.1930 -161329.8649 -108730.4137 299.2629 -99.4176 -76.9545 765334.8919 2.0209 2.0920 PRESSURE: 2238400 189.992 -55.2178 -152.906 -55.2182 -3.41924 -0.932253 -152.906 -0.932127 -40.8438 GPRESSURE: 2238400 254.959 24.4322 -101.946 -155.246 -32.7835 -20.6818 -92.337 -68.8703 1.64491 PRESSAVG: 2238400 -10.8131 -7.60708 -13.1505 -7.60711 -17.6051 18.706 -13.1505 18.7059 6.62328 GPRESSAVG: 2238400 -10.5462 -7.94675 -11.9167 -7.46342 -19.3762 19.7211 -12.002 19.816 7.6574 TIMING: 2238400 CPU: 6994.19, 0.00310643/step Wall: 6994.19, 0.00310643/step, 2.38297 hours remaining, 234.253906 MB of memory in use. ENERGY: 2238400 3994.6881 20520.3778 14474.9833 226.2107 -203438.6480 2836.1021 0.0000 0.0000 52155.4557 -109230.8302 299.7381 -161386.2859 -108868.1926 299.3159 48.5764 74.6069 760832.9219 -7.2650 -7.4217 PRESSURE: 2238600 -26.3395 -236.509 119.068 -236.509 475.195 11.2065 119.068 11.2047 -255.624 GPRESSURE: 2238600 -4.08627 -122.167 -1.24751 -218.973 490.593 -62.3321 207.683 -59.5925 -202.268 PRESSAVG: 2238600 -14.6897 -33.7184 -18.6159 -33.7185 16.33 -12.0004 -18.6158 -12.0005 -10.1058 GPRESSAVG: 2238600 -16.3914 -33.3554 -18.2957 -32.9732 18.1342 -12.2527 -18.1878 -12.1131 -10.1257 TIMING: 2238600 CPU: 6994.81, 0.00309311/step Wall: 6994.81, 0.00309311/step, 2.37259 hours remaining, 234.253906 MB of memory in use. ENERGY: 2238600 3975.1406 20582.8614 14427.1186 253.7652 -203502.8624 2924.3316 0.0000 0.0000 52035.9265 -109303.7185 299.0512 -161339.6450 -108952.7961 299.2476 64.4108 94.7464 762816.7402 -2.8218 -2.7943 PRESSURE: 2238800 -386.805 -150.997 24.5173 -150.997 -290.357 -150.648 24.5176 -150.647 -493.892 GPRESSURE: 2238800 -412.016 -65.1767 42.6411 -100.123 -312.795 -77.1246 2.91925 -127.875 -384.169 PRESSAVG: 2238800 -0.0493942 -8.00841 1.85984 -8.0084 -21.7083 22.8176 1.85991 22.8177 22.4061 GPRESSAVG: 2238800 1.24707 -5.5889 1.11934 -9.13698 -22.5324 23.215 0.560911 22.3983 22.1547 TIMING: 2238800 CPU: 6995.43, 0.003095/step Wall: 6995.43, 0.003095/step, 2.37386 hours remaining, 234.253906 MB of memory in use. ENERGY: 2238800 3995.7479 20510.4505 14443.9566 238.6486 -202989.8732 2386.0348 0.0000 0.0000 52043.8509 -109371.1839 299.0967 -161415.0348 -109005.6366 298.9135 -390.3515 -369.6599 761900.4430 0.2162 0.2898 PRESSURE: 2239000 178.433 -45.6926 135.826 -45.6912 -99.7841 -48.1482 135.825 -48.1486 -129.422 GPRESSURE: 2239000 97.7812 -96.5037 105.999 64.5443 -21.7858 -94.3392 112.453 -128.31 -82.7141 PRESSAVG: 2239000 14.3783 -29.6097 31.1893 -29.6097 -5.52163 -21.5601 31.1893 -21.5601 -10.5185 GPRESSAVG: 2239000 13.5947 -32.3323 32.5721 -29.9351 -6.29615 -22.1038 30.304 -19.4354 -9.42822 TIMING: 2239000 CPU: 6996.05, 0.00308407/step Wall: 6996.05, 0.00308407/step, 2.36531 hours remaining, 234.253906 MB of memory in use. ENERGY: 2239000 3998.0067 20481.7295 14397.7629 239.7986 -203173.9649 2670.7577 0.0000 0.0000 52015.0096 -109370.8999 298.9310 -161385.9095 -109008.5513 298.6764 -16.9243 -2.2396 761777.1484 -0.5540 -0.7099 PRESSURE: 2239200 285.842 113.025 127.051 113.025 -491.494 -73.7521 127.05 -73.7533 -221.555 GPRESSURE: 2239200 335.679 131.828 169.835 154.208 -464.74 -60.9033 20.2425 -92.3677 -209.285 PRESSAVG: 2239200 -5.9328 -1.14197 52.6128 -1.14197 8.84943 8.39091 52.6127 8.3909 -20.5725 GPRESSAVG: 2239200 -4.50005 1.66384 52.0211 -2.12796 9.15951 8.38119 52.8194 6.25898 -22.019 TIMING: 2239200 CPU: 6996.67, 0.0030852/step Wall: 6996.67, 0.0030852/step, 2.366 hours remaining, 234.253906 MB of memory in use. ENERGY: 2239200 3986.4661 20583.4325 14413.5919 253.8367 -203024.5755 2474.6351 0.0000 0.0000 51881.4637 -109431.1495 298.1635 -161312.6131 -109072.4359 298.5606 -142.4023 -112.7821 761806.3708 -5.8853 -5.7865 PRESSURE: 2239400 108.095 149.417 -0.833436 149.418 -42.2959 -228.663 -0.832082 -228.664 193.312 GPRESSURE: 2239400 67.1466 150.154 -3.63243 153.595 79.9 -290.384 2.54814 -149.495 225.246 PRESSAVG: 2239400 17.1823 -16.7827 25.7645 -16.7827 -35.8915 32.4983 25.7645 32.4983 3.09469 GPRESSAVG: 2239400 17.0248 -18.0334 23.7668 -15.3752 -35.3162 33.0246 28.0927 32.2545 3.32905 TIMING: 2239400 CPU: 6997.29, 0.0031031/step Wall: 6997.29, 0.0031031/step, 2.37956 hours remaining, 234.253906 MB of memory in use. ENERGY: 2239400 3961.8299 20473.6361 14430.0170 263.5298 -203455.6671 2860.3013 0.0000 0.0000 51998.2866 -109468.0665 298.8349 -161466.3531 -109096.6012 299.0555 86.3703 124.0974 760027.4725 -5.2048 -4.9875 PRESSURE: 2239600 -56.8943 108.221 208.118 108.22 251.277 187.527 208.118 187.527 19.6139 GPRESSURE: 2239600 2.63206 75.8238 193.224 71.3386 233.816 101.11 204.658 127.773 81.1218 PRESSAVG: 2239600 18.3021 -22.5348 25.1678 -22.5348 55.4295 -7.59441 25.1677 -7.59447 26.8194 GPRESSAVG: 2239600 17.3194 -24.9186 27.3418 -23.0266 54.3569 -10.4145 24.4257 -5.7163 28.893 TIMING: 2239600 CPU: 6997.9, 0.00309097/step Wall: 6997.9, 0.00309097/step, 2.37008 hours remaining, 234.253906 MB of memory in use. ENERGY: 2239600 4013.4141 20566.1522 14521.9737 245.3641 -203688.4113 2930.6862 0.0000 0.0000 52006.1034 -109404.7176 298.8798 -161410.8209 -109050.1003 299.5219 71.3321 105.8566 759705.3864 33.5170 33.5231 PRESSURE: 2239800 163.885 -97.3759 90.8769 -97.3745 234.676 67.4197 90.8784 67.4193 167.554 GPRESSURE: 2239800 140.657 -85.3656 43.3229 -206.753 251.212 56.2601 -96.1492 190.932 270.898 PRESSAVG: 2239800 21.3075 -10.0029 9.32277 -10.003 -3.63602 67.2659 9.32275 67.2659 16.9249 GPRESSAVG: 2239800 21.8133 -8.42539 8.78508 -10.4709 -2.29667 69.6997 7.70789 65.8627 15.2387 TIMING: 2239800 CPU: 6998.52, 0.0031018/step Wall: 6998.52, 0.0031018/step, 2.37822 hours remaining, 234.253906 MB of memory in use. ENERGY: 2239800 3949.4476 20530.6330 14429.0693 235.2953 -203623.9844 3092.9405 0.0000 0.0000 52139.2659 -109247.3328 299.6451 -161386.5987 -108889.7915 299.4998 188.7051 220.9226 760773.7546 11.5321 11.5851 PRESSURE: 2240000 45.9671 62.6628 15.7737 62.6628 -332.702 133.175 15.7738 133.175 -123.319 GPRESSURE: 2240000 13.0783 66.6601 57.1152 133.707 -246.394 52.3119 -92.8884 136.635 -92.3049 PRESSAVG: 2240000 28.1058 0.287741 -60.9054 0.287817 -5.59188 61.5878 -60.9054 61.5877 -11.6233 GPRESSAVG: 2240000 27.0324 -2.72855 -62.039 2.56166 -5.73 61.8428 -59.0589 62.2187 -10.4867 TIMING: 2240000 CPU: 6999.14, 0.00309736/step Wall: 6999.14, 0.00309736/step, 2.37464 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2240000 3977.5833 20535.0562 14334.9143 236.0000 -203295.6688 2742.6888 0.0000 0.0000 52032.8594 -109436.5668 299.0336 -161469.4261 -109074.6837 299.3825 -136.6846 -108.5403 762181.1806 3.6302 3.6052 PRESSURE: 2240200 151.9 71.7549 214.838 71.7552 53.6299 186.036 214.838 186.037 264.462 GPRESSURE: 2240200 182.045 122.731 208.88 50.9912 29.4818 186.134 144.974 150.24 333.216 PRESSAVG: 2240200 -85.9692 -11.3728 1.20814 -11.3728 71.6782 20.4851 1.20816 20.4852 8.07723 GPRESSAVG: 2240200 -85.0502 -9.13454 2.48162 -13.0315 71.0199 20.1944 0.347929 21.8444 7.82112 TIMING: 2240200 CPU: 6999.76, 0.00309228/step Wall: 6999.76, 0.00309228/step, 2.37057 hours remaining, 234.253906 MB of memory in use. ENERGY: 2240200 3969.0358 20460.2144 14439.4987 248.5328 -203295.0828 2704.4208 0.0000 0.0000 52092.2228 -109381.1574 299.3747 -161473.3802 -109028.7468 298.4240 156.6640 181.5808 762929.1989 -2.0712 -2.0697 LDB: ============= START OF LOAD BALANCING ============== 7012.24 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7012.24 LDB: =============== DONE WITH MIGRATION ================ 7012.24 LDB: ============= START OF LOAD BALANCING ============== 7012.56 LDB: Largest compute 7031 load 0.032934 is 16.9% of average load 0.195044 LDB: Average compute 0.004400 is 2.3% of average load 0.195044 LDB: TIME 7012.56 LOAD: AVG 0.195044 MAX 0.218803 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.023 MB LDB: TIME 7012.56 LOAD: AVG 0.195044 MAX 0.218803 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.023 MB LDB: TIME 7012.56 LOAD: AVG 0.195044 MAX 0.216281 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.023 MB LDB: ============== END OF LOAD BALANCING =============== 7012.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7012.57 PRESSURE: 2240400 244.858 27.6972 369.333 27.6973 91.2817 76.4815 369.333 76.4828 470.207 GPRESSURE: 2240400 318.696 -21.4604 285.608 108.604 100.927 98.8496 271.627 46.208 457.215 PRESSAVG: 2240400 54.5099 -21.5964 25.9724 -21.5963 -52.941 39.2896 25.9724 39.2895 12.9252 GPRESSAVG: 2240400 54.5385 -20.9581 25.5158 -22.1203 -52.2906 38.0061 25.5293 39.4105 12.649 TIMING: 2240400 CPU: 7000.4, 0.00319731/step Wall: 7000.4, 0.00319731/step, 2.45091 hours remaining, 234.511719 MB of memory in use. ENERGY: 2240400 3877.7926 20414.8746 14409.2106 251.4252 -203670.9780 3146.6509 0.0000 0.0000 52096.6712 -109474.3528 299.4003 -161571.0241 -109105.3006 298.6295 268.7822 292.2793 762091.5459 4.8314 4.9656 PRESSURE: 2240600 -54.0087 85.127 16.6596 85.1269 -21.4864 -160.138 16.6592 -160.139 -462.148 GPRESSURE: 2240600 12.5095 108.458 -37.6852 52.938 -23.7431 -119.794 13.3144 -93.8665 -450.071 PRESSAVG: 2240600 14.1223 -37.8219 29.7878 -37.822 -26.2066 10.9143 29.7878 10.9142 -24.0164 GPRESSAVG: 2240600 15.1667 -36.0523 29.9269 -38.0756 -26.6054 9.35676 29.4222 13.2586 -25.0371 TIMING: 2240600 CPU: 7001.03, 0.00311338/step Wall: 7001.03, 0.00311338/step, 2.38641 hours remaining, 234.511719 MB of memory in use. ENERGY: 2240600 3975.7668 20667.5839 14496.8165 228.0503 -203009.7387 2517.8363 0.0000 0.0000 51719.2695 -109404.4154 297.2314 -161123.6849 -109043.2050 298.5451 -179.2142 -153.7681 763121.1238 -12.0336 -12.1586 PRESSURE: 2240800 -263.805 -120.187 -153.112 -120.187 -80.3594 -99.9574 -153.112 -99.9567 310.159 GPRESSURE: 2240800 -188.125 -112.759 -113.434 -120.986 -7.21836 -117.559 -204.149 -53.013 250.694 PRESSAVG: 2240800 2.22383 18.1104 -20.594 18.1104 -31.2982 2.03342 -20.594 2.03338 -17.6179 GPRESSAVG: 2240800 1.62479 16.8766 -20.3329 18.5974 -31.1761 4.48478 -19.3965 -2.16738 -16.9894 TIMING: 2240800 CPU: 7001.64, 0.00309956/step Wall: 7001.64, 0.00309956/step, 2.37564 hours remaining, 234.511719 MB of memory in use. ENERGY: 2240800 3916.8835 20552.5511 14508.9715 236.0655 -202983.9092 2543.1772 0.0000 0.0000 51995.9554 -109230.3048 298.8215 -161226.2602 -108876.9486 298.3893 -11.3354 18.4502 763025.8273 -15.5641 -15.5136 PRESSURE: 2241000 -326.605 150.988 60.1204 150.987 -324.319 170.552 60.1203 170.551 -471.936 GPRESSURE: 2241000 -193.893 178.902 -42.3741 21.1566 -276.511 108.019 171.668 205.116 -583.814 PRESSAVG: 2241000 4.42307 -10.3278 13.3724 -10.3278 -23.9898 58.8073 13.3724 58.8072 10.1831 GPRESSAVG: 2241000 4.81762 -11.8043 12.8321 -9.9033 -24.017 58.0683 14.0484 61.556 9.52651 TIMING: 2241000 CPU: 7002.27, 0.00311284/step Wall: 7002.27, 0.00311284/step, 2.38564 hours remaining, 234.511719 MB of memory in use. ENERGY: 2241000 3997.1862 20328.4391 14438.5335 253.4495 -203304.8937 2657.2266 0.0000 0.0000 51963.4452 -109666.6136 298.6346 -161630.0588 -109302.1523 298.4390 -374.2867 -351.4058 763930.5717 -3.1279 -3.2243 PRESSURE: 2241200 72.6894 -214.906 -177.114 -214.906 241.192 -79.6404 -177.114 -79.6413 61.399 GPRESSURE: 2241200 93.3428 -227.802 -186.646 -200.361 197.2 -69.33 -225.168 -181.357 142.031 PRESSAVG: 2241200 -32.5945 25.7294 55.1009 25.7294 -13.218 -62.458 55.101 -62.4581 -5.15234 GPRESSAVG: 2241200 -33.2836 25.1455 54.7591 25.9934 -12.9378 -61.334 54.9271 -63.7245 -4.66085 TIMING: 2241200 CPU: 7002.89, 0.00310725/step Wall: 7002.89, 0.00310725/step, 2.38119 hours remaining, 234.511719 MB of memory in use. ENERGY: 2241200 4023.7900 20475.7353 14455.2207 252.5470 -203575.2340 3006.9712 0.0000 0.0000 51929.9493 -109431.0205 298.4421 -161360.9698 -109069.5946 298.4893 125.0935 144.1911 763493.6595 -16.9883 -16.9608 PRESSURE: 2241400 78.4413 98.2689 -137.504 98.2692 -210.555 2.87039 -137.505 2.87139 194.948 GPRESSURE: 2241400 89.0208 89.7405 -137.893 207.944 -204.957 38.8652 -238.84 30.1127 258.669 PRESSAVG: 2241400 25.6864 -0.0167477 8.90975 -0.0168159 -52.2733 -16.8915 8.90972 -16.8914 9.70529 GPRESSAVG: 2241400 25.6892 0.284368 10.8733 2.30579 -53.326 -18.0225 7.10513 -15.0762 10.7353 TIMING: 2241400 CPU: 7003.51, 0.00310654/step Wall: 7003.51, 0.00310654/step, 2.38047 hours remaining, 234.511719 MB of memory in use. ENERGY: 2241400 3946.6908 20661.6374 14474.1290 232.5812 -203215.2062 2873.8736 0.0000 0.0000 51611.3002 -109414.9941 296.6109 -161026.2943 -109058.4799 298.4622 20.9446 47.5775 763390.4274 -5.6272 -5.6338 PRESSURE: 2241600 24.9344 -155.013 -11.1275 -155.013 -13.5338 159.15 -11.1267 159.15 -225.891 GPRESSURE: 2241600 23.295 -149.627 1.43122 -84.9916 95.082 156.206 10.5947 171.673 -229.266 PRESSAVG: 2241600 -77.1583 11.9366 70.831 11.9366 74.1449 50.4247 70.831 50.4247 13.228 GPRESSAVG: 2241600 -75.9097 13.7097 68.5355 10.5913 74.0192 50.8092 72.571 48.9746 12.1865 TIMING: 2241600 CPU: 7004.13, 0.00309606/step Wall: 7004.13, 0.00309606/step, 2.37227 hours remaining, 234.511719 MB of memory in use. ENERGY: 2241600 4065.7247 20510.4061 14478.3242 257.1451 -203306.9972 2938.9437 0.0000 0.0000 51618.4293 -109438.0241 296.6518 -161056.4534 -109071.6618 298.2675 -71.4968 -36.9631 762755.2842 3.4048 3.4320 PRESSURE: 2241800 163.066 55.3831 61.5701 55.3824 -89.5029 -174.922 61.5703 -174.923 293.26 GPRESSURE: 2241800 118.5 -10.5412 -10.8405 -7.38337 5.8298 -194.04 14.3821 -145.506 341.956 PRESSAVG: 2241800 -13.105 -2.18078 -1.19759 -2.18083 24.3786 5.70033 -1.1976 5.70028 -1.07585 GPRESSAVG: 2241800 -14.6618 -2.012 -0.991706 -4.13035 25.3982 6.94027 -1.3609 4.69506 -0.79858 TIMING: 2241800 CPU: 7004.75, 0.00308935/step Wall: 7004.75, 0.00308935/step, 2.36696 hours remaining, 234.511719 MB of memory in use. ENERGY: 2241800 3899.3231 20252.1218 14471.0955 261.3144 -202941.7332 2662.2705 0.0000 0.0000 51967.1030 -109428.5049 298.6557 -161395.6079 -109052.6425 298.4396 122.2743 155.4283 762495.8535 3.3992 3.3126 PRESSURE: 2242000 -289.092 150.644 -255.131 150.645 -100.499 72.6526 -255.131 72.6522 160.978 GPRESSURE: 2242000 -271.115 161.439 -314.072 231.331 -65.3014 25.6978 -165.679 2.03888 196.332 PRESSAVG: 2242000 -10.5834 -51.1828 -4.6819 -51.1827 8.77697 38.2564 -4.68197 38.2564 -5.75246 GPRESSAVG: 2242000 -10.9346 -52.2831 -3.81861 -52.4357 8.27623 36.4726 -7.37095 41.7279 -4.66699 TIMING: 2242000 CPU: 7005.37, 0.00309236/step Wall: 7005.37, 0.00309236/step, 2.36909 hours remaining, 234.511719 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: 2242000 4005.5771 20572.9873 14478.1171 241.0475 -203174.5528 2636.1500 0.0000 0.0000 51975.9308 -109264.7430 298.7064 -161240.6738 -108899.9827 299.1297 -76.2042 -46.6950 762456.8190 -2.5196 -2.4418 PRESSURE: 2242200 -76.7501 286.861 -11.1731 286.861 -255.81 129.031 -11.173 129.032 -185.867 GPRESSURE: 2242200 -152.001 283.576 -61.0278 299.317 -174.521 133.622 93.7048 101.827 -104.054 PRESSAVG: 2242200 -4.00404 -32.0293 45.9572 -32.0293 42.2914 41.3933 45.9572 41.3933 19.9902 GPRESSAVG: 2242200 -2.90001 -32.2582 45.3215 -32.3235 42.3494 41.7962 49.0898 38.9472 18.8664 TIMING: 2242200 CPU: 7005.99, 0.00310753/step Wall: 7005.99, 0.00310753/step, 2.38054 hours remaining, 234.511719 MB of memory in use. ENERGY: 2242200 4034.4443 20565.8478 14464.5945 247.9642 -203504.2662 2912.6318 0.0000 0.0000 51898.2993 -109380.4842 298.2602 -161278.7835 -109029.5239 298.7907 -172.8087 -143.5253 762904.8172 19.4259 19.4386 PRESSURE: 2242400 -168.543 80.4591 40.512 80.46 76.9483 43.5881 40.5123 43.5875 138.698 GPRESSURE: 2242400 -71.9073 83.1862 53.6645 -76.6631 86.7943 68.7201 0.558747 -80.7321 124.147 PRESSAVG: 2242400 -110.53 -3.18255 5.64401 -3.18252 14.9092 -17.2338 5.64396 -17.2338 -17.4527 GPRESSAVG: 2242400 -109.702 -3.79186 6.27128 -0.638239 13.9356 -17.9454 5.66455 -16.5408 -17.5147 TIMING: 2242400 CPU: 7006.6, 0.00308624/step Wall: 7006.6, 0.00308624/step, 2.36406 hours remaining, 234.511719 MB of memory in use. ENERGY: 2242400 3990.0575 20432.1684 14435.0305 229.2724 -202968.0886 2789.9557 0.0000 0.0000 51846.6065 -109244.9976 297.9632 -161091.6041 -108899.5801 298.9881 15.7013 46.3447 763951.2165 -37.6911 -37.7604 PRESSURE: 2242600 255.424 -28.0996 -5.44086 -28.1 78.6974 169.837 -5.44068 169.839 -305.748 GPRESSURE: 2242600 71.4761 -75.7819 -8.18476 -23.8472 245.272 193.575 41.515 109.753 -198.854 PRESSAVG: 2242600 4.67442 -17.4093 5.50015 -17.4093 28.9043 84.574 5.50012 84.5741 -5.49443 GPRESSAVG: 2242600 3.55999 -18.1215 5.56603 -17.8928 29.8621 85.9406 4.50859 83.7706 -5.86482 TIMING: 2242600 CPU: 7007.22, 0.0030863/step Wall: 7007.22, 0.0030863/step, 2.36393 hours remaining, 234.511719 MB of memory in use. ENERGY: 2242600 3935.6537 20448.6557 14466.3292 237.3932 -203259.6391 2804.4809 0.0000 0.0000 52200.1479 -109166.9787 299.9950 -161367.1265 -108800.1161 299.2674 9.4578 39.2982 764670.9163 9.3614 9.1857 PRESSURE: 2242800 -210.785 133.53 109.593 133.53 -14.3666 -15.5231 109.593 -15.5233 50.6196 GPRESSURE: 2242800 -115.393 78.5942 -64.2057 146.283 -45.47 28.0433 67.1259 -123.262 55.384 PRESSAVG: 2242800 48.2347 -8.05903 38.148 -8.05899 -80.475 42.8927 38.148 42.8927 1.46119 GPRESSAVG: 2242800 46.9237 -7.35546 37.8607 -7.97922 -80.6572 43.7951 37.346 42.6945 2.26514 TIMING: 2242800 CPU: 7007.84, 0.00308096/step Wall: 7007.84, 0.00308096/step, 2.35967 hours remaining, 234.511719 MB of memory in use. ENERGY: 2242800 3977.5382 20482.6888 14472.9733 258.6625 -202854.8430 2370.9463 0.0000 0.0000 52219.8608 -109072.1731 300.1083 -161292.0339 -108712.3624 299.2500 -58.1773 -35.1597 764596.6424 -10.2597 -10.4895 PRESSURE: 2243000 -110.888 28.0977 27.5317 28.0979 -92.3856 52.1901 27.5315 52.1898 -250.602 GPRESSURE: 2243000 -40.9971 -14.7689 55.0486 -100.789 -42.5042 57.8008 75.0795 -3.42366 -275.8 PRESSAVG: 2243000 6.42571 57.0736 -20.6877 57.0736 -34.1725 -18.622 -20.6876 -18.6222 21.5957 GPRESSAVG: 2243000 5.71357 58.3955 -18.3885 55.3946 -32.6661 -19.2506 -21.2463 -18.5515 20.8326 TIMING: 2243000 CPU: 7008.46, 0.00309457/step Wall: 7008.46, 0.00309457/step, 2.36993 hours remaining, 234.511719 MB of memory in use. ENERGY: 2243000 3932.0960 20551.8917 14514.8611 234.2694 -203222.0402 2773.5842 0.0000 0.0000 52182.2581 -109033.0797 299.8922 -161215.3378 -108670.9918 299.6414 -151.2919 -119.7671 762508.1559 -2.0504 -2.0400 PRESSURE: 2243200 -120.977 -27.4393 -52.5152 -27.438 -432.052 -122.165 -52.5152 -122.165 -279.696 GPRESSURE: 2243200 -26.4765 10.1892 13.3629 48.8314 -392.672 -55.8712 -65.8174 -171.82 -331.617 PRESSAVG: 2243200 0.0497963 13.1187 -21.6992 13.1188 -22.3028 -28.5158 -21.6992 -28.5157 5.46854 GPRESSAVG: 2243200 0.907197 13.693 -23.6539 14.785 -22.1505 -28.6915 -19.3624 -27.9468 4.81738 TIMING: 2243200 CPU: 7009.07, 0.00308271/step Wall: 7009.07, 0.00308271/step, 2.36067 hours remaining, 234.511719 MB of memory in use. ENERGY: 2243200 3943.6868 20550.0998 14498.0641 242.4058 -203289.8603 2692.7226 0.0000 0.0000 52216.5527 -109146.3285 300.0892 -161362.8812 -108783.7862 299.7544 -277.5748 -250.2549 763378.8267 -5.5948 -5.4753 PRESSURE: 2243400 -101.908 212.54 -126.125 212.539 -43.9171 -70.8678 -126.124 -70.8669 -196.907 GPRESSURE: 2243400 9.42917 169.606 -111.476 200.217 -49.9132 -24.3785 -51.0529 -108.075 -215.633 PRESSAVG: 2243400 -18.4932 32.1423 -94.5437 32.1423 -11.4478 -9.88506 -94.5438 -9.88508 9.52718 GPRESSAVG: 2243400 -17.4557 31.3787 -94.9937 31.074 -12.3374 -10.3844 -94.032 -12.2587 9.468 TIMING: 2243400 CPU: 7009.69, 0.00310066/step Wall: 7009.69, 0.00310066/step, 2.37424 hours remaining, 234.511719 MB of memory in use. ENERGY: 2243400 3998.5345 20507.2260 14409.7265 263.9103 -203464.7418 2805.4912 0.0000 0.0000 52171.0679 -109308.7854 299.8278 -161479.8533 -108952.2929 299.6331 -114.2440 -85.3723 764706.4901 -6.8046 -6.7751 PRESSURE: 2243600 -76.9924 155.673 -59.4124 155.671 -357.383 -95.979 -59.4128 -95.9778 -23.3996 GPRESSURE: 2243600 -56.6128 188.416 -54.3763 135.969 -343.931 -31.8264 -117.743 -123.255 34.5544 PRESSAVG: 2243600 -3.84968 37.879 -34.3628 37.8789 -16.7031 13.2703 -34.3628 13.2703 -29.3585 GPRESSAVG: 2243600 -4.33012 38.6885 -33.7064 38.2025 -17.1982 13.9819 -36.7639 16.1934 -28.7424 TIMING: 2243600 CPU: 7010.31, 0.00309152/step Wall: 7010.31, 0.00309152/step, 2.36707 hours remaining, 234.511719 MB of memory in use. ENERGY: 2243600 3940.8043 20596.3947 14479.5489 257.7498 -203013.7294 2529.1942 0.0000 0.0000 52027.4410 -109182.5965 299.0024 -161210.0375 -108831.1673 299.2517 -152.5918 -121.9966 764317.7459 -16.6371 -16.7569 PRESSURE: 2243800 -11.684 130.786 -254.935 130.786 94.9666 -4.9053 -254.935 -4.90523 178.765 GPRESSURE: 2243800 -8.85259 139.341 -270.273 207.624 181.392 -13.5214 -107.529 -5.27255 166.7 PRESSAVG: 2243800 -51.6802 12.9785 -48.8364 12.9786 70.464 -42.4261 -48.8364 -42.426 12.9565 GPRESSAVG: 2243800 -51.9371 12.517 -49.5323 12.7553 70.399 -43.2294 -46.7286 -44.9437 13.1027 TIMING: 2243800 CPU: 7010.93, 0.00310815/step Wall: 7010.93, 0.00310815/step, 2.37963 hours remaining, 234.511719 MB of memory in use. ENERGY: 2243800 3964.2993 20461.6058 14530.5112 239.5466 -203248.8176 2885.6354 0.0000 0.0000 51924.4552 -109242.7640 298.4106 -161167.2193 -108876.2465 299.5135 87.3493 113.0797 764733.4009 10.5801 10.5215 PRESSURE: 2244000 -272.868 229.892 15.183 229.892 -43.8972 -84.2309 15.1838 -84.2312 -131.584 GPRESSURE: 2244000 -234.422 189.647 -9.59404 191.224 -65.9945 -61.9594 -125.701 28.3516 -59.5131 PRESSAVG: 2244000 -42.0941 21.2258 -31.6129 21.2258 -0.0174065 8.61137 -31.6129 8.61133 4.80419 GPRESSAVG: 2244000 -41.76 20.8228 -31.178 20.747 -0.496304 9.81372 -32.1923 8.6826 5.54893 TIMING: 2244000 CPU: 7011.55, 0.0031023/step Wall: 7011.55, 0.0031023/step, 2.37499 hours remaining, 234.511719 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: 2244000 3966.8522 20304.9526 14499.8092 252.9655 -203372.8689 2723.9695 0.0000 0.0000 52240.7725 -109383.5473 300.2284 -161624.3198 -109015.6860 299.0514 -149.4500 -119.9764 762555.3820 -12.4358 -12.2358 PRESSURE: 2244200 231.916 176.913 41.2454 176.912 94.2896 -85.7593 41.2452 -85.7597 -362.563 GPRESSURE: 2244200 350.542 140.495 65.9476 146.612 70.1677 -43.8694 152.763 -130.511 -372.919 PRESSAVG: 2244200 34.4603 14.3579 11.5137 14.3579 -70.6165 -39.096 11.5137 -39.0959 5.07195 GPRESSAVG: 2244200 35.623 13.7207 10.5601 13.7612 -70.5511 -39.4666 12.0316 -38.9696 4.06463 TIMING: 2244200 CPU: 7012.17, 0.00309056/step Wall: 7012.17, 0.00309056/step, 2.36582 hours remaining, 234.511719 MB of memory in use. ENERGY: 2244200 3957.8975 20503.9109 14453.9863 245.4854 -202985.0623 2765.1058 0.0000 0.0000 51923.2107 -109135.4657 298.4034 -161058.6764 -108776.9008 298.9058 -12.1190 15.9300 764026.9541 -10.3614 -10.2878 LDB: ============= START OF LOAD BALANCING ============== 7024.65 LDB: ============== END OF LOAD BALANCING =============== 7024.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7024.65 LDB: ============= START OF LOAD BALANCING ============== 7024.96 LDB: Largest compute 7031 load 0.032804 is 16.8% of average load 0.195061 LDB: Average compute 0.004417 is 2.3% of average load 0.195061 LDB: TIME 7024.96 LOAD: AVG 0.195061 MAX 0.217019 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.539 MB LDB: TIME 7024.96 LOAD: AVG 0.195061 MAX 0.217019 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.539 MB LDB: TIME 7024.96 LOAD: AVG 0.195061 MAX 0.217019 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.539 MB LDB: ============== END OF LOAD BALANCING =============== 7024.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7024.97 PRESSURE: 2244400 283.852 -16.5867 -86.878 -16.5859 89.0475 362.835 -86.8772 362.835 -195.609 GPRESSURE: 2244400 338.216 -88.8153 -3.07854 -42.253 99.3239 388.024 -114.101 291.86 -156.693 PRESSAVG: 2244400 25.6018 34.1709 -1.19371 34.1709 21.6093 -32.5367 -1.19369 -32.5367 -28.0585 GPRESSAVG: 2244400 24.6575 34.1513 1.23967 34.4082 21.6567 -33.1263 -2.03524 -32.9578 -26.9338 TIMING: 2244400 CPU: 7012.8, 0.00316006/step Wall: 7012.8, 0.00316006/step, 2.41885 hours remaining, 234.253906 MB of memory in use. ENERGY: 2244400 3955.4246 20357.7753 14520.1890 252.5458 -203476.2254 2865.7053 0.0000 0.0000 52283.8492 -109240.7361 300.4760 -161524.5854 -108867.3884 299.1785 59.0970 93.6157 762194.6145 6.3842 6.4601 PRESSURE: 2244600 -326.716 -65.8924 7.7642 -65.8926 -388.387 48.894 7.76391 48.894 293.575 GPRESSURE: 2244600 -315.669 92.5278 18.354 -12.9707 -367.865 106.034 -4.29837 125.232 332.987 PRESSAVG: 2244600 7.71024 -8.32139 25.7134 -8.32141 10.9109 3.05287 25.7133 3.0528 22.2737 GPRESSAVG: 2244600 7.36365 -5.61629 23.8185 -7.82808 10.6452 3.29149 26.0509 3.91297 22.0886 TIMING: 2244600 CPU: 7013.42, 0.00308932/step Wall: 7013.42, 0.00308932/step, 2.36453 hours remaining, 234.253906 MB of memory in use. ENERGY: 2244600 3941.9619 20427.0145 14406.5269 232.9655 -203016.0815 2562.7044 0.0000 0.0000 52210.6018 -109234.3064 300.0550 -161444.9082 -108858.7775 299.3479 -140.5095 -116.8489 761540.9493 13.6316 13.3658 PRESSURE: 2244800 -258.162 69.7468 89.0335 69.746 -160.074 -14.9782 89.0331 -14.9771 51.8959 GPRESSURE: 2244800 -212.776 165.282 44.3012 134.913 -141.039 -15.2925 164.753 -74.4513 60.8532 PRESSAVG: 2244800 -96.7883 3.01629 25.7527 3.01623 81.9747 -21.8864 25.7527 -21.8864 4.80361 GPRESSAVG: 2244800 -96.6964 -0.0995805 26.927 5.02672 81.6194 -23.5804 25.7042 -20.2901 4.83754 TIMING: 2244800 CPU: 7014.04, 0.00308439/step Wall: 7014.04, 0.00308439/step, 2.36059 hours remaining, 234.253906 MB of memory in use. ENERGY: 2244800 3970.1852 20434.7264 14455.2602 246.5732 -203039.4760 2616.2623 0.0000 0.0000 52022.9648 -109293.5038 298.9767 -161316.4686 -108923.9906 299.4614 -122.1134 -97.6538 763430.7402 -3.3367 -3.4132 PRESSURE: 2245000 -79.4779 -128.5 162.612 -128.499 -137.024 242.038 162.613 242.037 279.901 GPRESSURE: 2245000 28.3247 -141.652 115.114 -127.976 -160.357 213.935 91.1318 139.693 286.151 PRESSAVG: 2245000 -53.5183 32.71 2.13215 32.71 49.9001 -26.5214 2.13216 -26.5214 6.86225 GPRESSAVG: 2245000 -52.8632 32.8391 1.47304 30.3786 49.8732 -24.5108 3.39472 -27.3856 6.55816 TIMING: 2245000 CPU: 7014.66, 0.00309686/step Wall: 7014.66, 0.00309686/step, 2.36996 hours remaining, 234.253906 MB of memory in use. ENERGY: 2245000 3987.6891 20290.4080 14519.3632 236.8939 -202957.9312 2508.5030 0.0000 0.0000 52393.0124 -109022.0616 301.1034 -161415.0740 -108655.1960 298.9147 21.1332 51.3729 761712.6963 1.0813 1.1894 PRESSURE: 2245200 -90.7882 103.319 18.7208 103.319 65.5131 188.84 18.7206 188.84 174.737 GPRESSURE: 2245200 -67.1556 102.437 88.9599 122.854 153.481 223.162 -54.1755 38.5875 145.998 PRESSAVG: 2245200 -41.27 4.87747 32.4632 4.87758 20.7849 14.5441 32.4632 14.5441 1.52658 GPRESSAVG: 2245200 -41.4096 4.49748 32.8492 5.85356 20.6343 13.8365 29.8529 14.445 2.20701 TIMING: 2245200 CPU: 7015.28, 0.00309939/step Wall: 7015.28, 0.00309939/step, 2.37172 hours remaining, 234.253906 MB of memory in use. ENERGY: 2245200 4023.0998 20401.2683 14541.1447 222.6561 -202872.2064 2749.6989 0.0000 0.0000 51906.1994 -109028.1393 298.3056 -160934.3387 -108669.2698 299.4575 49.8206 77.4414 762694.3703 -6.3195 -6.1894 PRESSURE: 2245400 1.41967 -11.0104 -26.7352 -11.0092 293.354 116.477 -26.7339 116.477 -153.658 GPRESSURE: 2245400 28.1653 -17.4089 -118.222 -78.2046 331.279 23.4511 -55.9047 119.829 -123.579 PRESSAVG: 2245400 -73.3143 35.4393 15.1025 35.4393 88.3515 -11.0343 15.1025 -11.0343 -1.08582 GPRESSAVG: 2245400 -74.2868 36.0024 13.5311 34.4464 88.1391 -11.1499 16.1276 -11.4952 0.0972826 TIMING: 2245400 CPU: 7015.9, 0.00309395/step Wall: 7015.9, 0.00309395/step, 2.36738 hours remaining, 234.253906 MB of memory in use. ENERGY: 2245400 4043.3782 20452.1980 14512.3838 231.2545 -203126.7378 2959.3679 0.0000 0.0000 51978.4488 -108949.7066 298.7209 -160928.1554 -108594.5619 299.3726 47.0384 78.6216 763064.6844 4.6505 4.6499 PRESSURE: 2245600 260.256 -11.8398 -142.798 -11.8402 93.5999 -20.3967 -142.798 -20.3958 80.2194 GPRESSURE: 2245600 300.643 25.794 -108.841 122.452 115.314 -67.9081 -45.0797 68.6062 80.2318 PRESSAVG: 2245600 -48.3672 14.395 -5.48432 14.395 22.8627 -32.5844 -5.48426 -32.5844 20.0682 GPRESSAVG: 2245600 -47.4405 15.3738 -4.47032 15.5867 22.6499 -32.0695 -5.58657 -32.6985 19.1818 TIMING: 2245600 CPU: 7016.52, 0.0031006/step Wall: 7016.52, 0.0031006/step, 2.3723 hours remaining, 234.253906 MB of memory in use. ENERGY: 2245600 3997.3602 20325.7483 14503.8809 227.5100 -202827.5132 2577.2540 0.0000 0.0000 52434.1992 -108761.5608 301.3401 -161195.7599 -108389.8449 299.5779 144.6919 165.3962 762925.0473 -1.8121 -1.8696 PRESSURE: 2245800 -195.428 272.563 111.644 272.563 281.023 -193.834 111.644 -193.834 -80.8595 GPRESSURE: 2245800 -109.947 193.375 64.599 249.536 227.286 -200.831 61.798 -177.397 -37.8253 PRESSAVG: 2245800 13.9238 32.4643 12.1293 32.4643 -45.8379 24.5609 12.1293 24.561 -8.09075 GPRESSAVG: 2245800 13.345 33.3027 12.9859 31.2839 -44.7133 24.3668 12.1368 25.2938 -8.51431 TIMING: 2245800 CPU: 7017.14, 0.00312846/step Wall: 7017.14, 0.00312846/step, 2.39345 hours remaining, 234.253906 MB of memory in use. ENERGY: 2245800 4050.1826 20650.4651 14513.5351 230.9458 -202319.7563 2395.2013 0.0000 0.0000 51732.2458 -108747.1806 297.3059 -160479.4264 -108392.0600 299.3345 1.5783 26.5045 763302.8824 -13.3349 -13.2942 PRESSURE: 2246000 -25.3107 315.346 128.559 315.346 -242.213 -87.5594 128.559 -87.559 23.4769 GPRESSURE: 2246000 21.7621 180.765 120.684 239.993 -229.539 -76.6762 212.685 -168.541 55.2458 PRESSAVG: 2246000 32.6322 13.4515 31.2997 13.4515 7.25631 10.5851 31.2997 10.5851 -3.30846 GPRESSAVG: 2246000 32.7856 12.3329 30.5606 13.1484 7.48723 10.2742 28.1291 10.1107 -3.49306 TIMING: 2246000 CPU: 7017.77, 0.00311616/step Wall: 7017.77, 0.00311616/step, 2.38386 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2246000 4065.0642 20335.9993 14550.1516 230.0655 -202399.2206 2430.6709 0.0000 0.0000 51986.7736 -108800.4955 298.7687 -160787.2692 -108427.4668 299.5956 -81.3490 -50.8437 763563.8559 12.1933 12.2599 PRESSURE: 2246200 204.928 -77.8694 105.468 -77.8692 234.938 -70.772 105.469 -70.7715 -65.8585 GPRESSURE: 2246200 295.422 -48.1638 53.0149 -134.358 287.186 -54.7641 56.9147 180.679 -106.812 PRESSAVG: 2246200 -9.73222 9.87091 87.5415 9.87094 57.657 9.92067 87.5416 9.9206 -1.75053 GPRESSAVG: 2246200 -9.03776 8.36537 87.53 11.7807 56.1269 11.6535 90.6666 10.0505 -1.0478 TIMING: 2246200 CPU: 7018.39, 0.00311476/step Wall: 7018.39, 0.00311476/step, 2.38262 hours remaining, 234.253906 MB of memory in use. ENERGY: 2246200 3961.5140 20440.8942 14453.8933 261.9950 -202823.7798 2763.1649 0.0000 0.0000 52316.7630 -108625.5555 300.6652 -160942.3185 -108260.7767 300.1952 124.6694 158.5990 763601.5112 15.3914 15.3471 PRESSURE: 2246400 -213.313 -84.4256 -68.3619 -84.4245 -93.7995 144.991 -68.361 144.99 -582.598 GPRESSURE: 2246400 -247.831 14.3204 -83.5102 -11.6998 -35.7746 109.438 -30.1097 127.629 -542.62 PRESSAVG: 2246400 -12.0043 -8.52554 6.12197 -8.52558 21.8973 41.8457 6.12198 41.8457 -18.2544 GPRESSAVG: 2246400 -13.2379 -6.61926 6.43786 -8.23655 23.1877 41.2453 5.37437 43.032 -18.3097 TIMING: 2246400 CPU: 7019.01, 0.00312291/step Wall: 7019.01, 0.00312291/step, 2.38868 hours remaining, 234.253906 MB of memory in use. ENERGY: 2246400 3980.2586 20664.6836 14468.1681 252.4754 -202576.6434 2314.7861 0.0000 0.0000 52190.8836 -108705.3881 299.9417 -160896.2717 -108348.0253 300.3381 -296.5702 -275.4085 764036.8585 -2.7871 -2.7866 PRESSURE: 2246600 27.8678 107.508 187.803 107.508 -92.4955 159.885 187.802 159.885 9.50823 GPRESSURE: 2246600 60.3924 -58.3849 151.853 84.8414 -84.8846 128.489 87.7298 128.57 85.6225 PRESSAVG: 2246600 -2.15413 39.3675 31.8988 39.3675 4.35932 9.07145 31.8988 9.07131 17.4996 GPRESSAVG: 2246600 -1.968 39.1498 31.9583 38.7975 4.83942 7.96702 33.5488 8.598 17.704 TIMING: 2246600 CPU: 7019.64, 0.00312196/step Wall: 7019.64, 0.00312196/step, 2.38778 hours remaining, 234.253906 MB of memory in use. ENERGY: 2246600 3958.4130 20609.9680 14405.3366 254.9976 -202941.6729 2646.1828 0.0000 0.0000 52233.3450 -108833.4299 300.1858 -161066.7749 -108473.1390 300.2509 -18.3731 20.3768 762016.4106 6.5683 6.8585 PRESSURE: 2246800 -263.941 11.9969 -132.217 11.9977 -212.629 26.881 -132.217 26.8825 -336.324 GPRESSURE: 2246800 -209.956 55.0256 -168.561 0.288213 -226.362 105.811 19.5643 43.381 -313.41 PRESSAVG: 2246800 14.1956 8.77294 -17.1657 8.77298 -30.663 -1.03732 -17.1657 -1.0373 -1.83902 GPRESSAVG: 2246800 15.4795 9.09034 -18.9259 9.93125 -30.6587 0.475816 -18.005 -0.410672 -2.98605 TIMING: 2246800 CPU: 7020.26, 0.00310523/step Wall: 7020.26, 0.00310523/step, 2.37481 hours remaining, 234.253906 MB of memory in use. ENERGY: 2246800 3993.1233 20377.0556 14560.3647 234.6103 -202575.4656 2372.9261 0.0000 0.0000 52085.8576 -108951.5281 299.3381 -161037.3857 -108593.4187 299.8682 -270.9646 -249.9091 763781.3226 -6.1021 -6.0551 PRESSURE: 2247000 -273.448 32.779 132.917 32.7798 45.4381 45.9163 132.917 45.9163 -582.106 GPRESSURE: 2247000 -208.154 158.009 129.907 -37.2431 65.2408 163.652 217.039 73.6569 -579.691 PRESSAVG: 2247000 41.8609 -5.39279 43.7269 -5.39281 -25.482 -2.87009 43.7268 -2.87013 -2.26622 GPRESSAVG: 2247000 41.8601 -4.40482 43.0619 -7.44317 -26.0985 -3.84195 45.1464 -4.24082 -1.7622 TIMING: 2247000 CPU: 7020.88, 0.00308724/step Wall: 7020.88, 0.00308724/step, 2.36088 hours remaining, 234.253906 MB of memory in use. ENERGY: 2247000 4020.7186 20461.2390 14469.3520 254.0652 -202918.0483 2580.6277 0.0000 0.0000 52071.5617 -109060.4841 299.2560 -161132.0458 -108696.7207 299.6940 -270.0385 -240.8681 761473.6087 4.7042 4.6665 PRESSURE: 2247200 -1.90002 36.2298 114.613 36.2292 -76.2851 -210.008 114.614 -210.009 342.599 GPRESSURE: 2247200 64.892 -12.9983 114.129 -79.0265 -19.7696 -171.99 149.85 -156.967 303.931 PRESSAVG: 2247200 0.394981 -17.829 63.4379 -17.829 18.2621 -68.6425 63.4378 -68.6425 17.6513 GPRESSAVG: 2247200 0.551318 -17.5619 64.6295 -16.8993 18.3648 -69.8784 60.0423 -67.3866 16.9557 TIMING: 2247200 CPU: 7021.5, 0.00310511/step Wall: 7021.5, 0.00310511/step, 2.37437 hours remaining, 234.253906 MB of memory in use. ENERGY: 2247200 4015.0427 20433.8684 14444.4285 232.2473 -203062.6015 2508.2806 0.0000 0.0000 52028.7773 -109399.9568 299.0101 -161428.7341 -109033.5758 299.3279 88.1379 116.3512 760596.4383 12.1028 11.9573 PRESSURE: 2247400 -171.304 110.7 172.326 110.701 -202.212 246.187 172.326 246.188 271.529 GPRESSURE: 2247400 -120.764 84.8006 191.697 86.5422 -180.401 227.949 113.512 262.657 294.419 PRESSAVG: 2247400 -22.8901 -15.8336 46.9202 -15.8336 3.98254 -29.8923 46.9202 -29.8922 12.9817 GPRESSAVG: 2247400 -23.854 -16.6026 47.099 -17.1043 5.27056 -28.0343 46.6941 -29.8604 13.2069 TIMING: 2247400 CPU: 7022.12, 0.00309462/step Wall: 7022.12, 0.00309462/step, 2.36618 hours remaining, 234.253906 MB of memory in use. ENERGY: 2247400 3993.5478 20456.8503 14435.0913 256.7079 -203090.3094 2641.3765 0.0000 0.0000 51990.9647 -109315.7709 298.7928 -161306.7356 -108961.2107 299.2679 -33.9956 -2.2487 760296.1457 -1.9753 -1.7922 PRESSURE: 2247600 314.022 236.58 -44.303 236.581 192.016 -347.396 -44.3026 -347.396 506.719 GPRESSURE: 2247600 297.838 309.103 -44.5515 166.525 370.371 -340.164 -6.31621 -314.762 444.331 PRESSAVG: 2247600 33.4178 -36.4964 15.7566 -36.4963 39.9432 -13.9227 15.7566 -13.9227 10.5718 GPRESSAVG: 2247600 34.3114 -36.7374 15.7276 -34.6023 39.041 -14.3118 17.5756 -15.5961 10.5529 TIMING: 2247600 CPU: 7022.74, 0.00310946/step Wall: 7022.74, 0.00310946/step, 2.37736 hours remaining, 234.253906 MB of memory in use. ENERGY: 2247600 4005.2533 20509.8756 14431.8344 269.9790 -203172.9833 2625.8496 0.0000 0.0000 51886.7624 -109443.4289 298.1939 -161330.1913 -109077.5911 299.2081 337.5856 370.8466 759995.2830 27.9776 27.9684 PRESSURE: 2247800 -41.3563 70.3809 119.636 70.3809 75.9661 6.15058 119.636 6.15084 316.357 GPRESSURE: 2247800 -53.0076 92.7926 158.645 86.756 148.187 -17.3406 -31.2822 13.7004 352.785 PRESSAVG: 2247800 -29.1512 -4.30425 -12.375 -4.30429 36.0802 37.2733 -12.375 37.2734 5.57504 GPRESSAVG: 2247800 -27.9573 -3.70483 -11.5415 -4.03605 35.2941 36.9886 -14.665 37.5359 5.18313 TIMING: 2247800 CPU: 7023.36, 0.0031049/step Wall: 7023.36, 0.0031049/step, 2.3737 hours remaining, 234.253906 MB of memory in use. ENERGY: 2247800 3981.9705 20445.5677 14507.1554 245.3419 -203801.1973 2902.4483 0.0000 0.0000 52068.9558 -109649.7576 299.2410 -161718.7134 -109296.4739 298.6960 116.9888 149.3214 761142.0651 4.1680 4.1733 PRESSURE: 2248000 -243.547 51.9531 10.0332 51.9537 -158.964 185.435 10.0333 185.435 -336.136 GPRESSURE: 2248000 -278.473 98.7475 22.3025 16.6628 -188.676 121.072 75.5009 130.221 -184.185 PRESSAVG: 2248000 -15.1905 -0.406443 -7.68476 -0.406378 31.1062 6.7981 -7.68476 6.79818 -0.471651 GPRESSAVG: 2248000 -16.8756 -1.55432 -8.44725 -0.876591 31.5869 5.32345 -7.20703 8.02343 1.2393 TIMING: 2248000 CPU: 7023.98, 0.00308985/step Wall: 7023.98, 0.00308985/step, 2.36202 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2248000 4014.9263 20577.0766 14410.8836 263.9836 -203359.3677 2430.0712 0.0000 0.0000 51793.5675 -109868.8588 297.6583 -161662.4263 -109505.1746 298.1908 -246.2157 -217.1113 761371.0755 5.1480 5.3169 PRESSURE: 2248200 -381.745 55.634 -92.4732 55.634 -68.7672 -164.589 -92.473 -164.59 94.0047 GPRESSURE: 2248200 -309.846 116.142 -202.409 126.641 8.81389 -133.75 -8.48498 -203.875 46.2443 PRESSAVG: 2248200 8.04927 21.9946 11.8617 21.9947 2.68318 -7.01153 11.8617 -7.01162 -17.7038 GPRESSAVG: 2248200 8.30121 23.4014 12.4297 22.5946 2.729 -4.70059 12.0817 -9.81211 -18.3688 TIMING: 2248200 CPU: 7024.6, 0.00309652/step Wall: 7024.6, 0.00309652/step, 2.36695 hours remaining, 234.253906 MB of memory in use. ENERGY: 2248200 4012.6998 20423.1313 14449.9313 247.8331 -203522.3059 2631.1619 0.0000 0.0000 52003.0722 -109754.4763 298.8624 -161757.5485 -109400.8455 298.1321 -118.8358 -84.9294 760277.8443 -2.3238 -2.4462 LDB: ============= START OF LOAD BALANCING ============== 7037.07 LDB: ============== END OF LOAD BALANCING =============== 7037.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7037.07 LDB: ============= START OF LOAD BALANCING ============== 7037.39 LDB: Largest compute 7078 load 0.033795 is 17.3% of average load 0.195041 LDB: Average compute 0.004404 is 2.3% of average load 0.195041 LDB: TIME 7037.39 LOAD: AVG 0.195041 MAX 0.217847 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.23 MB LDB: TIME 7037.39 LOAD: AVG 0.195041 MAX 0.217847 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.23 MB LDB: TIME 7037.39 LOAD: AVG 0.195041 MAX 0.217532 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.23 MB LDB: ============== END OF LOAD BALANCING =============== 7037.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7037.4 PRESSURE: 2248400 220.834 63.2084 -21.807 63.2084 -14.9436 131.464 -21.8073 131.465 251.032 GPRESSURE: 2248400 230.649 34.7027 -34.0866 163.793 78.7737 108.942 70.3286 121.63 244.993 PRESSAVG: 2248400 -18.6773 5.53168 -12.3385 5.53169 10.3862 -44.8586 -12.3385 -44.8587 -16.5391 GPRESSAVG: 2248400 -18.6021 6.22584 -11.5337 2.86044 11.5785 -46.3881 -11.345 -44.1593 -17.8698 TIMING: 2248400 CPU: 7025.23, 0.00317913/step Wall: 7025.23, 0.00317913/step, 2.42991 hours remaining, 234.765625 MB of memory in use. ENERGY: 2248400 3987.3402 20602.8195 14438.9313 249.5951 -203239.1899 2495.1105 0.0000 0.0000 51911.6044 -109553.7889 298.3367 -161465.3932 -109202.1394 298.4400 152.3075 184.8052 760711.1895 -8.2767 -8.2978 PRESSURE: 2248600 21.924 90.7715 73.8324 90.7712 82.1495 -167.696 73.8318 -167.695 84.3475 GPRESSURE: 2248600 82.914 46.2914 95.3908 172.37 46.8603 -162.483 12.5231 -164.835 141.617 PRESSAVG: 2248600 -11.4703 2.421 -58.9239 2.42097 9.55083 -3.72907 -58.9239 -3.72904 5.29501 GPRESSAVG: 2248600 -11.7864 1.29877 -58.9995 3.55622 9.04582 -2.28911 -59.7173 -3.22135 5.85597 TIMING: 2248600 CPU: 7025.85, 0.00310468/step Wall: 7025.85, 0.00310468/step, 2.37284 hours remaining, 234.765625 MB of memory in use. ENERGY: 2248600 3906.4597 20523.0019 14465.6694 257.1637 -203398.2142 2703.1872 0.0000 0.0000 52204.9465 -109337.7859 300.0225 -161542.7324 -108969.8610 298.8563 62.8070 90.4636 762409.4196 1.1252 1.0385 PRESSURE: 2248800 -46.9578 -34.5756 -44.5507 -34.5756 -50.1058 -38.0182 -44.5506 -38.0187 70.0759 GPRESSURE: 2248800 15.4176 47.009 -44.2386 1.30993 10.4426 8.2665 120.178 -59.698 38.4324 PRESSAVG: 2248800 -44.4794 4.56064 -19.4802 4.56059 56.9068 21.5059 -19.4802 21.5059 -17.6743 GPRESSAVG: 2248800 -43.6957 5.50609 -20.0549 4.20055 55.5947 20.8329 -17.9458 21.4159 -17.3919 TIMING: 2248800 CPU: 7026.48, 0.00311697/step Wall: 7026.48, 0.00311697/step, 2.38206 hours remaining, 234.765625 MB of memory in use. ENERGY: 2248800 4044.8815 20529.2671 14443.6174 243.5632 -203160.3625 2458.2423 0.0000 0.0000 51903.6784 -109537.1125 298.2912 -161440.7909 -109184.4053 299.0873 -8.9959 21.4309 761489.0970 -1.7490 -1.8309 PRESSURE: 2249000 360.416 112.178 -106.303 112.178 56.8093 -78.5487 -106.303 -78.5483 -73.661 GPRESSURE: 2249000 311.172 61.6275 -210.154 70.759 193.638 -75.0797 -162.921 -116.612 -87.9947 PRESSAVG: 2249000 -90.0672 -20.4704 -28.3518 -20.4704 41.5048 59.0358 -28.3518 59.0357 13.2494 GPRESSAVG: 2249000 -90.8659 -22.6449 -28.909 -21.2977 41.5399 59.5689 -27.3016 59.2779 13.5784 TIMING: 2249000 CPU: 7027.1, 0.00310553/step Wall: 7027.1, 0.00310553/step, 2.37314 hours remaining, 234.765625 MB of memory in use. ENERGY: 2249000 4063.9927 20492.6373 14490.9203 261.6770 -203714.6408 2871.7073 0.0000 0.0000 51931.4509 -109602.2554 298.4508 -161533.7063 -109241.8345 298.6636 114.5215 138.9384 760298.3092 -11.7710 -11.9159 PRESSURE: 2249200 71.4086 -86.0774 -218.594 -86.0782 -235.219 -199.871 -218.593 -199.872 -264.867 GPRESSURE: 2249200 77.2329 -65.0894 -195.663 -160.052 -134.879 -61.986 -279.585 -117.087 -271.682 PRESSAVG: 2249200 10.9403 16.014 -32.0042 16.0139 -8.82022 14.6336 -32.0042 14.6336 -12.9036 GPRESSAVG: 2249200 9.6651 16.3104 -31.1919 17.4348 -7.46653 13.2239 -34.6717 15.2371 -13.2083 TIMING: 2249200 CPU: 7027.72, 0.0031132/step Wall: 7027.72, 0.0031132/step, 2.37883 hours remaining, 234.765625 MB of memory in use. ENERGY: 2249200 3995.9035 20552.2089 14497.0361 228.9351 -203425.7454 2751.0783 0.0000 0.0000 52031.7771 -109368.8064 299.0273 -161400.5836 -109005.1338 299.4438 -142.8925 -109.7760 761262.3774 -3.5945 -3.6699 PRESSURE: 2249400 148.789 46.5134 148.095 46.5143 -167.991 -185.709 148.095 -185.709 -162.536 GPRESSURE: 2249400 101.377 9.7612 130.322 -12.6122 -90.6736 -132.912 -6.61074 -191.008 -101.775 PRESSAVG: 2249400 -7.16456 -23.5005 -32.7674 -23.5005 13.3994 19.0721 -32.7674 19.0721 19.7157 GPRESSAVG: 2249400 -5.82139 -21.5908 -33.6966 -23.3196 12.7082 19.8101 -30.3791 19.8492 19.0554 TIMING: 2249400 CPU: 7028.35, 0.0031465/step Wall: 7028.35, 0.0031465/step, 2.4041 hours remaining, 234.765625 MB of memory in use. ENERGY: 2249400 3922.2126 20483.0550 14466.7524 248.0491 -203298.9065 2644.5219 0.0000 0.0000 52223.5026 -109310.8130 300.1292 -161534.3155 -108939.2577 299.6589 -60.5792 -30.3571 761708.3662 8.6502 8.6474 PRESSURE: 2249600 -412.535 53.0401 147.499 53.0402 37.3779 203.149 147.5 203.149 -263.004 GPRESSURE: 2249600 -286.273 123.404 199.321 19.7982 0.514357 152.122 186.547 185.357 -258.487 PRESSAVG: 2249600 30.265 13.1749 -9.92862 13.1748 -15.4834 16.2167 -9.92857 16.2166 -32.3628 GPRESSAVG: 2249600 29.863 13.0442 -9.67396 13.4967 -15.3089 18.1457 -10.7496 15.5697 -31.7811 TIMING: 2249600 CPU: 7028.98, 0.00314453/step Wall: 7028.98, 0.00314453/step, 2.40242 hours remaining, 234.765625 MB of memory in use. ENERGY: 2249600 4017.3747 20744.9380 14373.0215 245.9553 -202993.8447 2351.7081 0.0000 0.0000 52126.2759 -109134.5713 299.5704 -161260.8471 -108788.9401 299.5442 -212.7204 -181.4150 762047.1300 -5.8604 -5.7423 PRESSURE: 2249800 -10.5001 -21.7451 -18.3983 -21.7441 5.13495 142.775 -18.3991 142.774 -143.453 GPRESSURE: 2249800 21.4641 -63.1867 29.8746 -4.01674 82.2344 101.111 -10.4301 247.246 -170.999 PRESSAVG: 2249800 -8.78472 -36.3176 -40.6451 -36.3177 32.1344 14.578 -40.6451 14.5781 -3.67595 GPRESSAVG: 2249800 -7.38123 -38.0106 -39.5579 -36.5406 30.927 14.0894 -42.1026 13.6107 -3.65987 TIMING: 2249800 CPU: 7029.6, 0.00310609/step Wall: 7029.6, 0.00310609/step, 2.37288 hours remaining, 234.765625 MB of memory in use. ENERGY: 2249800 4001.6583 20579.1313 14453.9348 243.3657 -202939.9263 2388.6611 0.0000 0.0000 52048.9251 -109224.2500 299.1259 -161273.1751 -108861.6094 299.7483 -49.6060 -22.4336 761875.5160 6.5579 6.6286 PRESSURE: 2250000 276.685 -20.2716 18.5866 -20.2712 -61.7571 53.8429 18.5854 53.8425 90.128 GPRESSURE: 2250000 310.195 58.3421 61.2628 40.1179 -24.0582 187.402 -61.8006 7.34583 93.4589 PRESSAVG: 2250000 28.5474 34.4057 -30.5691 34.4057 19.0324 -60.3967 -30.569 -60.3968 5.75393 GPRESSAVG: 2250000 27.6618 36.0928 -30.7179 33.612 19.727 -61.0839 -31.6998 -61.253 6.14421 TIMING: 2250000 CPU: 7030.22, 0.00311714/step Wall: 7030.22, 0.00311714/step, 2.38115 hours remaining, 234.765625 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: 2250000 4007.4555 20630.5273 14390.1787 235.2515 -203470.7021 2720.4549 0.0000 0.0000 52207.2769 -109279.5573 300.0359 -161486.8342 -108919.3926 299.3788 101.6853 126.5319 760662.7712 17.7779 17.8444 PRESSURE: 2250200 -182.858 -306.066 129.574 -306.065 54.5482 -138.524 129.574 -138.524 35.5775 GPRESSURE: 2250200 -128.289 -184.119 104.716 -220.629 102.781 -161.607 79.1119 -17.4146 25.4436 PRESSAVG: 2250200 -11.1333 -16.0263 19.2234 -16.0263 -8.28627 -36.8138 19.2234 -36.8138 22.4729 GPRESSAVG: 2250200 -10.7105 -15.918 17.0648 -13.9386 -7.85701 -37.3735 19.8017 -35.7458 21.5115 TIMING: 2250200 CPU: 7030.85, 0.00313549/step Wall: 7030.85, 0.00313549/step, 2.395 hours remaining, 234.765625 MB of memory in use. ENERGY: 2250200 3961.7343 20587.6853 14413.6570 264.6190 -202897.8940 2474.4239 0.0000 0.0000 51997.7172 -109198.0573 298.8316 -161195.7745 -108840.6019 299.2455 -30.9108 -0.0217 761765.9217 1.0178 0.9813 PRESSURE: 2250400 -426.171 120.854 -211.417 120.854 -140.445 -43.38 -211.418 -43.3806 -638.139 GPRESSURE: 2250400 -501.732 32.2361 -197.899 158.548 -30.9041 -55.9498 -83.6934 -17.513 -592.297 PRESSAVG: 2250400 30.4181 -67.5645 -34.0318 -67.5645 -24.995 -17.0724 -34.0318 -17.0724 -4.07766 GPRESSAVG: 2250400 29.4426 -66.4006 -33.1681 -70.3917 -24.909 -17.7991 -30.3434 -16.2193 -3.80682 TIMING: 2250400 CPU: 7031.47, 0.00311493/step Wall: 7031.47, 0.00311493/step, 2.37912 hours remaining, 234.765625 MB of memory in use. ENERGY: 2250400 4081.4475 20482.9701 14468.2244 227.3862 -203387.5562 2695.2614 0.0000 0.0000 52190.6667 -109241.5999 299.9405 -161432.2666 -108873.7232 299.6178 -401.5850 -374.9778 763732.2445 0.4485 0.2423 PRESSURE: 2250600 141.979 229.797 -148.313 229.798 83.1712 -45.6891 -148.312 -45.6891 -60.3934 GPRESSURE: 2250600 152.044 197.995 -142.765 196.464 148.575 8.33445 -167.699 26.6609 -49.5057 PRESSAVG: 2250600 37.6625 -29.642 -58.2704 -29.6419 -71.1711 -9.6045 -58.2704 -9.6045 -14.5789 GPRESSAVG: 2250600 37.2486 -31.9022 -56.438 -28.8576 -72.0641 -7.81761 -61.1851 -10.2449 -13.5513 TIMING: 2250600 CPU: 7032.1, 0.0031197/step Wall: 7032.1, 0.0031197/step, 2.38258 hours remaining, 234.765625 MB of memory in use. ENERGY: 2250600 4041.4631 20582.7728 14370.7940 228.6924 -202901.0426 2584.9954 0.0000 0.0000 51728.3955 -109363.9294 297.2838 -161092.3249 -109006.7749 298.9535 54.9189 83.7042 762157.6183 -16.0291 -16.1223 PRESSURE: 2250800 -140.311 -70.9585 -109.809 -70.9587 -53.9854 -29.6858 -109.809 -29.6858 285.654 GPRESSURE: 2250800 -83.6458 -2.94132 -84.8378 -162.735 -28.7941 -73.4246 -139.538 35.2952 290.033 PRESSAVG: 2250800 15.3271 -50.0255 38.1984 -50.0255 27.6117 -36.2399 38.1984 -36.2399 1.52713 GPRESSAVG: 2250800 14.9133 -48.3701 35.3599 -48.9752 27.2601 -36.6389 39.3546 -37.7982 2.00443 TIMING: 2250800 CPU: 7032.72, 0.00311534/step Wall: 7032.72, 0.00311534/step, 2.37908 hours remaining, 234.765625 MB of memory in use. ENERGY: 2250800 4028.8805 20579.5892 14445.7271 254.2153 -203096.6718 2689.7589 0.0000 0.0000 51742.9400 -109355.5608 297.3674 -161098.5008 -108995.5421 298.9719 30.4523 59.1977 761852.4421 14.8220 14.7259 PRESSURE: 2251000 24.34 39.5059 42.3881 39.505 -39.6402 -34.5534 42.3876 -34.5533 235.212 GPRESSURE: 2251000 2.49662 -32.4185 10.8859 67.8803 70.148 -54.4284 -10.7021 -79.811 254.326 PRESSAVG: 2251000 -8.78282 -55.9508 -14.6271 -55.9509 7.98089 -36.6042 -14.627 -36.6042 1.2448 GPRESSAVG: 2251000 -8.18364 -57.5234 -12.8442 -56.8396 8.81643 -36.384 -15.1153 -36.2158 0.0141716 TIMING: 2251000 CPU: 7033.35, 0.0031296/step Wall: 7033.35, 0.0031296/step, 2.38979 hours remaining, 234.765625 MB of memory in use. ENERGY: 2251000 4042.1627 20545.0580 14415.0725 228.5867 -203055.5772 2546.7227 0.0000 0.0000 52021.1315 -109256.8431 298.9662 -161277.9747 -108900.5026 298.7216 73.3040 108.9904 761890.4229 0.1476 0.2157 PRESSURE: 2251200 422.215 139.946 -127.495 139.945 128.31 23.3411 -127.496 23.3413 -35.863 GPRESSURE: 2251200 423.743 131.656 -79.9892 171.882 163.13 65.7685 -23.7104 5.27035 9.24159 PRESSAVG: 2251200 -43.3121 -48.1017 -69.7263 -48.1017 59.5733 12.5626 -69.7264 12.5626 -7.55677 GPRESSAVG: 2251200 -44.3865 -47.5497 -67.752 -47.4723 60.5284 11.2294 -69.9322 14.1376 -7.50669 TIMING: 2251200 CPU: 7033.97, 0.00312983/step Wall: 7033.97, 0.00312983/step, 2.3898 hours remaining, 234.765625 MB of memory in use. ENERGY: 2251200 3962.1628 20483.2388 14459.1359 254.2935 -203443.7059 3021.2429 0.0000 0.0000 51983.7260 -109279.9061 298.7512 -161263.6320 -108913.7922 299.2981 171.5539 198.7046 762024.0548 2.9015 2.8784 PRESSURE: 2251400 122.934 64.1415 211.776 64.1415 111.254 -28.3545 211.777 -28.3544 -78.1632 GPRESSURE: 2251400 132.595 59.3744 101.896 11.5967 126.019 -124.058 358.525 112.058 -6.53522 PRESSAVG: 2251400 -24.5071 -20.2512 -54.4238 -20.2512 0.11659 -18.301 -54.4238 -18.301 -12.6551 GPRESSAVG: 2251400 -23.9762 -20.3454 -56.3887 -20.3353 -1.04218 -15.6005 -54.4293 -20.1686 -11.2635 TIMING: 2251400 CPU: 7034.6, 0.0031312/step Wall: 7034.6, 0.0031312/step, 2.39067 hours remaining, 234.765625 MB of memory in use. ENERGY: 2251400 4042.4667 20456.8035 14471.9024 243.7988 -203614.7750 3030.3083 0.0000 0.0000 52226.7763 -109142.7191 300.1480 -161369.4954 -108776.5804 299.2562 52.0084 84.0263 762627.4373 -12.3485 -12.0940 PRESSURE: 2251600 -244.634 -23.0227 175.475 -23.023 -294.581 -64.4748 175.476 -64.4741 -25.0109 GPRESSURE: 2251600 -148.297 -81.0825 161.222 51.9791 -226.666 -28.3115 268.037 -25.9317 -103.171 PRESSAVG: 2251600 -8.5463 -39.041 -0.0722397 -39.0409 -12.9947 45.3573 -0.0722548 45.3574 -2.70934 GPRESSAVG: 2251600 -9.53333 -40.6604 0.349708 -39.4317 -11.7725 42.7157 -0.37837 48.2962 -3.5015 TIMING: 2251600 CPU: 7035.22, 0.00311645/step Wall: 7035.22, 0.00311645/step, 2.37924 hours remaining, 234.765625 MB of memory in use. ENERGY: 2251600 4065.4177 20585.7147 14488.7520 244.0403 -202881.9769 2337.4587 0.0000 0.0000 52132.5098 -109028.0836 299.6063 -161160.5934 -108674.4575 299.6264 -188.0755 -159.3780 762586.1494 -8.0834 -8.2691 PRESSURE: 2251800 -85.4103 -69.8812 -65.3924 -69.882 16.1894 33.7539 -65.3923 33.7542 314.662 GPRESSURE: 2251800 -22.5042 -20.8467 -52.2343 -61.5519 66.6595 85.6634 -93.1428 21.5809 274.994 PRESSAVG: 2251800 -71.9328 5.4352 -32.7726 5.43513 44.6554 -4.27636 -32.7726 -4.27637 -4.81131 GPRESSAVG: 2251800 -70.3304 7.26415 -32.2116 5.43527 43.2071 -3.06637 -33.8548 -6.94537 -5.28054 TIMING: 2251800 CPU: 7035.85, 0.00312949/step Wall: 7035.85, 0.00312949/step, 2.38902 hours remaining, 234.765625 MB of memory in use. ENERGY: 2251800 4014.9006 20536.7550 14402.7771 243.3503 -202913.3036 2359.7756 0.0000 0.0000 52130.8778 -109224.8672 299.5969 -161355.7450 -108862.0570 299.7297 81.8138 106.3833 760766.9372 -10.6962 -10.8013 PRESSURE: 2252000 -155.49 52.0996 -50.5458 52.0996 -124.053 119.071 -50.5467 119.071 -375.855 GPRESSURE: 2252000 -156.738 -16.5231 20.0121 122.054 -67.9585 27.1137 15.5393 105.681 -350.224 PRESSAVG: 2252000 22.6129 -66.3662 -43.6647 -66.3662 77.0599 1.30189 -43.6648 1.30194 -18.8047 GPRESSAVG: 2252000 22.1944 -69.1901 -43.6249 -66.4987 77.0312 1.07697 -40.9643 2.62876 -18.84 TIMING: 2252000 CPU: 7036.47, 0.00313143/step Wall: 7036.47, 0.00313143/step, 2.39032 hours remaining, 234.765625 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: 2252000 3942.2233 20565.3223 14509.5242 253.3819 -203057.3364 2361.9864 0.0000 0.0000 52053.0617 -109371.8366 299.1497 -161424.8983 -109010.8297 299.9863 -218.4659 -191.6401 759953.8912 26.9560 26.7952 PRESSURE: 2252200 147.312 -82.865 200.571 -82.8656 -191.697 -59.686 200.571 -59.6859 -97.0423 GPRESSURE: 2252200 17.7519 -39.5753 250.104 -1.81906 -73.0805 8.81384 26.3162 -193.228 -4.73898 PRESSAVG: 2252200 -19.2781 14.0229 11.289 14.0229 82.1434 -17.1488 11.289 -17.1488 23.7804 GPRESSAVG: 2252200 -20.4735 15.8113 10.4506 14.361 83.3385 -15.6264 10.7725 -19.3787 23.7028 TIMING: 2252200 CPU: 7037.1, 0.00311521/step Wall: 7037.1, 0.00311521/step, 2.37777 hours remaining, 234.765625 MB of memory in use. ENERGY: 2252200 4019.3997 20560.9442 14456.2580 248.4267 -203097.9882 2556.8134 0.0000 0.0000 52329.7745 -108926.3718 300.7399 -161256.1463 -108569.4595 299.7453 -47.1426 -20.0225 760729.2248 28.8819 28.8559 LDB: ============= START OF LOAD BALANCING ============== 7049.57 LDB: ============== END OF LOAD BALANCING =============== 7049.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7049.58 LDB: ============= START OF LOAD BALANCING ============== 7049.89 LDB: Largest compute 7078 load 0.031538 is 16.2% of average load 0.195046 LDB: Average compute 0.004417 is 2.3% of average load 0.195046 LDB: TIME 7049.89 LOAD: AVG 0.195046 MAX 0.214418 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.766 MB LDB: TIME 7049.89 LOAD: AVG 0.195046 MAX 0.214418 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.973 MB LDB: TIME 7049.89 LOAD: AVG 0.195046 MAX 0.214418 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.973 MB LDB: ============== END OF LOAD BALANCING =============== 7049.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7049.9 PRESSURE: 2252400 -0.601942 -49.8307 -80.9631 -49.8316 -400.359 68.9362 -80.9629 68.9358 -42.5424 GPRESSURE: 2252400 95.3367 -130.141 0.330026 109.342 -328.433 110.443 -111.677 154.78 -115.243 PRESSAVG: 2252400 -59.4511 -48.4685 -31.5834 -48.4685 33.6183 26.6755 -31.5835 26.6755 -5.2626 GPRESSAVG: 2252400 -57.8158 -50.8126 -31.1931 -48.7807 30.869 24.7813 -31.0338 29.9481 -4.34942 TIMING: 2252400 CPU: 7037.73, 0.00317628/step Wall: 7037.73, 0.00317628/step, 2.42421 hours remaining, 233.742188 MB of memory in use. ENERGY: 2252400 3997.1639 20570.5721 14476.7763 249.7108 -203262.1445 2741.4514 0.0000 0.0000 52037.4419 -109189.0281 299.0599 -161226.4700 -108831.0719 299.6516 -147.8345 -116.1133 764634.5028 -10.3651 -10.4321 PRESSURE: 2252600 -84.4298 28.5306 -71.7115 28.5309 -119.012 3.50282 -71.7102 3.50329 44.7177 GPRESSURE: 2252600 -42.6121 -29.4297 -131.087 41.9695 -20.551 52.3787 176.731 68.6171 -9.63008 PRESSAVG: 2252600 7.47114 -8.13574 -49.6983 -8.13578 -4.31196 21.589 -49.6982 21.589 10.6895 GPRESSAVG: 2252600 7.20835 -4.45834 -49.9285 -8.41554 -1.64571 23.4915 -49.4836 19.1915 8.47891 TIMING: 2252600 CPU: 7038.35, 0.00310211/step Wall: 7038.35, 0.00310212/step, 2.36743 hours remaining, 233.742188 MB of memory in use. ENERGY: 2252600 4067.8733 20569.4892 14469.4778 228.9942 -203397.1603 2671.7440 0.0000 0.0000 52113.9340 -109275.6478 299.4995 -161389.5818 -108906.7856 299.3172 -52.9080 -24.2644 762736.3904 4.6162 4.6805 PRESSURE: 2252800 49.7407 7.97041 -13.374 7.97026 -82.3995 155.578 -13.3739 155.577 -128.857 GPRESSURE: 2252800 18.7345 121.845 -100.333 6.82544 -120.826 205.346 -50.7514 142.912 -7.71322 PRESSAVG: 2252800 -15.3605 -14.8047 3.50887 -14.8047 3.57625 -25.1946 3.5089 -25.1946 0.256776 GPRESSAVG: 2252800 -15.0923 -14.5822 3.25471 -16.3901 2.35153 -26.2368 2.52838 -24.5959 1.78678 TIMING: 2252800 CPU: 7038.97, 0.00311137/step Wall: 7038.97, 0.00311137/step, 2.37432 hours remaining, 233.742188 MB of memory in use. ENERGY: 2252800 3964.4891 20659.0768 14367.7867 260.5059 -202897.7636 2550.5493 0.0000 0.0000 51914.4440 -109180.9118 298.3530 -161095.3558 -108820.9765 299.0261 -53.8385 -36.6015 761911.7427 -3.8425 -3.6513 PRESSURE: 2253000 -73.0542 277.648 87.5148 277.648 -186.39 213.099 87.5141 213.1 -176.23 GPRESSURE: 2253000 -68.9843 171.753 31.3676 163.525 -14.5501 288.584 186.528 117.205 -255.319 PRESSAVG: 2253000 14.6418 -27.1879 -29.7775 -27.1879 0.765796 16.2427 -29.7775 16.2427 26.1166 GPRESSAVG: 2253000 14.5079 -26.4172 -29.5905 -26.8294 1.42565 15.1029 -29.0616 16.8927 25.2962 TIMING: 2253000 CPU: 7039.6, 0.00312005/step Wall: 7039.6, 0.00312005/step, 2.38077 hours remaining, 233.742188 MB of memory in use. ENERGY: 2253000 3980.3690 20354.1656 14469.7509 243.7933 -203033.4954 2582.7887 0.0000 0.0000 52001.8073 -109400.8207 298.8551 -161402.6280 -109041.9937 299.2934 -145.2249 -112.9510 761644.1503 13.8414 13.7432 PRESSURE: 2253200 -64.0729 -47.52 -5.79628 -47.5199 39.9701 133.89 -5.79507 133.891 -179.401 GPRESSURE: 2253200 -41.9003 10.1406 -0.504962 -164.947 102.953 216.57 7.62359 72.8914 -171.613 PRESSAVG: 2253200 -22.2119 -45.0974 -45.1895 -45.0974 41.8797 -31.0795 -45.1894 -31.0795 -7.84193 GPRESSAVG: 2253200 -23.134 -47.0384 -43.7346 -43.795 42.7744 -30.8824 -47.5631 -32.5521 -7.96479 TIMING: 2253200 CPU: 7040.22, 0.00311516/step Wall: 7040.22, 0.00311516/step, 2.37687 hours remaining, 233.742188 MB of memory in use. ENERGY: 2253200 3995.9116 20503.4418 14472.7800 233.8018 -203135.0065 2590.0371 0.0000 0.0000 51799.3553 -109539.6789 297.6916 -161339.0342 -109188.0606 298.6430 -67.8346 -36.8534 761532.3327 3.9420 3.8919 PRESSURE: 2253400 -148.253 -83.4016 -13.6869 -83.4012 347.564 -225.905 -13.6872 -225.905 -169.168 GPRESSURE: 2253400 -50.4054 -65.4126 -23.8867 55.3173 227.76 -167.737 -64.0131 -110.127 -94.9 PRESSAVG: 2253400 2.88786 -61.6125 -2.17764 -61.6125 35.5292 -21.9587 -2.17768 -21.9588 16.6631 GPRESSAVG: 2253400 4.85119 -60.108 -2.58951 -61.569 33.7676 -22.2181 -2.34922 -22.1904 16.7713 TIMING: 2253400 CPU: 7040.84, 0.00310972/step Wall: 7040.84, 0.00310972/step, 2.37255 hours remaining, 233.742188 MB of memory in use. ENERGY: 2253400 3979.5924 20493.7809 14459.6422 234.5797 -203494.4839 2776.8707 0.0000 0.0000 51981.1573 -109568.8607 298.7364 -161550.0181 -109221.9641 298.4703 10.0475 27.4848 763213.6721 18.3601 18.4634 PRESSURE: 2253600 22.2886 -186.084 -33.6297 -186.084 134.525 107.842 -33.6298 107.842 76.16 GPRESSURE: 2253600 7.09776 -50.7061 -15.4187 -77.4963 157.597 106.667 -77.6818 11.2928 129.843 PRESSAVG: 2253600 12.5956 -49.3382 -7.46617 -49.3382 -0.294639 52.3319 -7.46621 52.3319 11.8921 GPRESSAVG: 2253600 11.5242 -50.6159 -7.70727 -48.6874 0.139758 53.5147 -7.09311 53.6933 12.3405 TIMING: 2253600 CPU: 7041.46, 0.00310526/step Wall: 7041.46, 0.00310526/step, 2.36897 hours remaining, 233.742188 MB of memory in use. ENERGY: 2253600 3943.4607 20401.1497 14446.6247 250.1130 -203289.3492 2683.1775 0.0000 0.0000 52073.9340 -109490.8898 299.2696 -161564.8238 -109130.3919 298.9066 77.6578 98.1794 761467.6581 8.0643 8.0015 PRESSURE: 2253800 -138.467 103.897 47.7913 103.896 588.78 4.71607 47.7914 4.71591 234.89 GPRESSURE: 2253800 -41.5067 41.144 148.073 -62.1456 426.801 41.6627 74.9342 -36.5747 365.892 PRESSAVG: 2253800 -70.683 -30.049 24.0735 -30.0489 65.9178 15.1549 24.0735 15.1548 0.0626586 GPRESSAVG: 2253800 -70.8117 -29.5117 23.2576 -30.7989 66.4024 14.7507 25.0921 14.2875 -0.135275 TIMING: 2253800 CPU: 7042.09, 0.00310227/step Wall: 7042.09, 0.00310227/step, 2.36651 hours remaining, 233.742188 MB of memory in use. ENERGY: 2253800 3967.2569 20547.8016 14398.4418 242.3048 -203456.5345 2973.3689 0.0000 0.0000 51909.3735 -109417.9869 298.3239 -161327.3605 -109057.8191 298.6593 228.4006 250.3955 762161.6081 -1.5675 -1.5149 PRESSURE: 2254000 4.8025 -250.982 119.114 -250.982 131.882 175.942 119.114 175.941 -23.3126 GPRESSURE: 2254000 111.101 -270.409 131.816 -89.3649 108.267 92.7233 49.2459 120.561 -16.8603 PRESSAVG: 2254000 11.2097 -23.0782 74.5499 -23.0782 23.0166 -42.6813 74.5499 -42.6813 -20.9509 GPRESSAVG: 2254000 11.1943 -25.0725 74.5715 -22.3345 23.0017 -43.0133 74.3717 -41.5531 -21.1131 TIMING: 2254000 CPU: 7042.71, 0.00312033/step Wall: 7042.71, 0.00312033/step, 2.38012 hours remaining, 233.742188 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: 2254000 3966.4995 20430.3642 14418.1105 249.4626 -203337.4231 2767.9875 0.0000 0.0000 52017.6471 -109487.3518 298.9461 -161504.9989 -109125.1928 299.0510 37.7907 67.5027 762359.1578 4.4252 4.3610 PRESSURE: 2254200 -131.928 -71.6839 106.46 -71.6837 56.2362 -120.584 106.461 -120.584 -47.7318 GPRESSURE: 2254200 -189.978 -14.9665 110.94 -63.1433 150.046 -145.165 173.377 -25.7747 -4.00241 PRESSAVG: 2254200 25.138 -57.2288 0.525032 -57.2288 -32.6869 -43.2401 0.524975 -43.24 -0.373762 GPRESSAVG: 2254200 25.0723 -57.5093 1.74505 -57.8306 -32.8425 -45.2791 -0.0359701 -43.7022 -0.26771 TIMING: 2254200 CPU: 7043.33, 0.00311182/step Wall: 7043.33, 0.00311182/step, 2.37345 hours remaining, 233.742188 MB of memory in use. ENERGY: 2254200 3980.5153 20524.9243 14516.7522 264.3043 -203362.4726 2756.6338 0.0000 0.0000 52053.1824 -109266.1603 299.1504 -161319.3427 -108911.3707 298.7424 -41.1411 -14.6447 763270.1025 -2.6409 -2.6793 PRESSURE: 2254400 123.424 -3.10622 246.747 -3.10533 -93.3188 -130.06 246.747 -130.061 -115.578 GPRESSURE: 2254400 227.875 105.919 209.268 -4.73857 -155.277 -89.237 138.693 -131.65 -58.4088 PRESSAVG: 2254400 2.01289 -34.0459 -30.8842 -34.0459 22.8757 -71.1168 -30.8842 -71.1169 -11.0172 GPRESSAVG: 2254400 2.25529 -31.1766 -31.8001 -32.7458 22.7363 -68.541 -30.7227 -69.2049 -10.9936 TIMING: 2254400 CPU: 7043.95, 0.00310444/step Wall: 7043.95, 0.00310444/step, 2.36765 hours remaining, 233.742188 MB of memory in use. ENERGY: 2254400 3930.8389 20345.4032 14392.9198 242.5316 -203218.5125 2759.4628 0.0000 0.0000 52091.2393 -109456.1169 299.3691 -161547.3562 -109089.4785 299.1042 -28.4910 4.7298 763518.8585 4.6238 4.6660 PRESSURE: 2254600 23.3467 14.2073 105.689 14.2075 -66.6175 89.6154 105.689 89.6156 16.8608 GPRESSURE: 2254600 17.5448 103.29 40.9923 -4.93318 -31.834 175.905 138.653 -62.4391 89.26 PRESSAVG: 2254600 14.9158 -36.4485 18.9268 -36.4485 2.00702 -14.7189 18.9268 -14.7189 -13.1068 GPRESSAVG: 2254600 14.8579 -38.9161 19.507 -37.3465 1.81347 -13.9384 18.5657 -15.8354 -13.0557 TIMING: 2254600 CPU: 7044.57, 0.00310881/step Wall: 7044.57, 0.00310881/step, 2.37081 hours remaining, 233.742188 MB of memory in use. ENERGY: 2254600 3955.0265 20386.5892 14374.8056 250.2101 -203239.0138 2832.9473 0.0000 0.0000 52371.2024 -109068.2328 300.9780 -161439.4352 -108713.0952 299.4234 -8.8033 24.9903 763030.6490 1.2720 1.2052 PRESSURE: 2254800 -86.9015 -124.344 -3.89994 -124.344 -46.945 226.068 -3.90012 226.068 -43.9086 GPRESSURE: 2254800 -74.0501 -83.235 -15.5042 -97.1595 -89.5091 163.64 66.2271 240.495 31.508 PRESSAVG: 2254800 -14.1782 2.53837 -14.0566 2.5384 -19.108 17.3834 -14.0566 17.3833 12.4485 GPRESSAVG: 2254800 -14.6942 4.02507 -15.5179 1.94226 -19.3909 16.1351 -10.6723 16.9761 12.7635 TIMING: 2254800 CPU: 7045.19, 0.00309789/step Wall: 7045.19, 0.00309789/step, 2.36232 hours remaining, 233.742188 MB of memory in use. ENERGY: 2254800 3950.5174 20569.8076 14429.0711 230.3020 -202711.3168 2359.5351 0.0000 0.0000 52095.7508 -109076.3327 299.3950 -161172.0835 -108722.0885 299.7159 -59.2517 -44.0170 764364.2801 -6.9459 -7.1072 PRESSURE: 2255000 -336.134 112.265 240.599 112.265 -129.832 -234.782 240.599 -234.781 -244.669 GPRESSURE: 2255000 -273.123 134.931 221.319 7.26591 -178.574 -202.854 200.92 -230.009 -185.862 PRESSAVG: 2255000 -25.294 -24.6355 -18.3518 -24.6355 46.512 -4.27881 -18.3517 -4.27883 15.4721 GPRESSAVG: 2255000 -23.9775 -23.9405 -17.9289 -24.6463 46.5623 -5.72685 -22.3694 -2.23475 14.21 TIMING: 2255000 CPU: 7045.81, 0.00310289/step Wall: 7045.81, 0.00310289/step, 2.36595 hours remaining, 233.742188 MB of memory in use. ENERGY: 2255000 3992.1856 20610.1216 14475.4799 240.1972 -203092.0907 2466.5102 0.0000 0.0000 52162.8328 -109144.7635 299.7805 -161307.5963 -108781.0594 299.4434 -236.8784 -212.5193 763725.4818 12.2300 12.2650 PRESSURE: 2255200 -85.5779 -2.69466 123.675 -2.69536 47.884 -44.7168 123.675 -44.716 115.037 GPRESSURE: 2255200 -79.4832 -78.929 133.335 47.6194 154.821 -69.5019 89.9374 14.8414 79.6266 PRESSAVG: 2255200 28.9437 10.3379 10.2989 10.3378 -30.9204 -51.8623 10.299 -51.8623 6.59736 GPRESSAVG: 2255200 27.755 9.79001 10.9153 11.9401 -30.7529 -50.6019 10.1395 -54.1674 7.75054 TIMING: 2255200 CPU: 7046.44, 0.00311342/step Wall: 7046.44, 0.00311342/step, 2.37381 hours remaining, 233.742188 MB of memory in use. ENERGY: 2255200 3970.3067 20327.2818 14446.7316 245.3696 -202912.0080 2591.0874 0.0000 0.0000 52139.2390 -109191.9919 299.6449 -161331.2309 -108818.7968 299.4343 25.7810 51.6547 761647.0052 1.5402 1.5842 PRESSURE: 2255400 282.163 93.1857 -237.631 93.185 285.968 -165.377 -237.631 -165.378 135.533 GPRESSURE: 2255400 316.87 1.71438 -107.447 -55.7205 308.965 -150.908 -118.269 -131.78 156.073 PRESSAVG: 2255400 8.55175 -9.58089 14.0211 -9.58091 30.8459 3.25384 14.0211 3.25389 -14.143 GPRESSAVG: 2255400 9.07049 -8.32595 16.0068 -11.1213 31.6501 3.07111 14.897 4.26893 -14.837 TIMING: 2255400 CPU: 7047.06, 0.00310231/step Wall: 7047.06, 0.00310231/step, 2.36516 hours remaining, 233.742188 MB of memory in use. ENERGY: 2255400 3998.7247 20499.3189 14422.3517 241.0555 -203801.7016 3179.4186 0.0000 0.0000 52120.0535 -109340.7786 299.5347 -161460.8322 -108979.9351 298.8669 234.5545 260.6360 762026.2178 8.4182 8.6278 PRESSURE: 2255600 135.845 107.577 138.951 107.577 -157.987 140.858 138.951 140.856 -247.894 GPRESSURE: 2255600 247.868 129.42 135.112 79.3839 -168.085 10.4313 138.758 88.753 -265.25 PRESSAVG: 2255600 81.7536 -22.8819 61.867 -22.882 -80.0357 -4.73098 61.867 -4.73094 -6.67122 GPRESSAVG: 2255600 82.1132 -23.3659 60.4409 -22.8618 -81.4905 -2.91281 62.5562 -6.44364 -6.13765 TIMING: 2255600 CPU: 7047.68, 0.00310949/step Wall: 7047.68, 0.00310949/step, 2.37046 hours remaining, 233.742188 MB of memory in use. ENERGY: 2255600 3978.6474 20487.6017 14444.5478 234.9710 -203599.2840 3040.3699 0.0000 0.0000 51922.6807 -109490.4655 298.4004 -161413.1462 -109122.9383 298.9950 -90.0119 -61.8225 762651.5669 -1.6511 -1.8383 PRESSURE: 2255800 -291.634 -18.7995 1.55464 -18.7993 -64.0354 -136.231 1.55366 -136.231 205.346 GPRESSURE: 2255800 -219.24 -52.1807 -21.837 -15.9767 -59.0886 -136.461 -52.7543 -96.8842 195.288 PRESSAVG: 2255800 26.6873 -62.1725 -5.75436 -62.1725 -17.1332 -33.8171 -5.75434 -33.8171 1.45721 GPRESSAVG: 2255800 26.0338 -63.4799 -6.26527 -63.4372 -16.8219 -33.1968 -5.49993 -33.8635 1.40527 TIMING: 2255800 CPU: 7048.3, 0.00311838/step Wall: 7048.3, 0.00311838/step, 2.37707 hours remaining, 233.742188 MB of memory in use. ENERGY: 2255800 3937.1349 20517.3861 14440.9690 251.4602 -203384.7096 2725.1908 0.0000 0.0000 52000.4076 -109512.1611 298.8471 -161512.5686 -109153.5714 298.8423 -50.1076 -27.6801 762318.8749 3.6704 3.5391 PRESSURE: 2256000 -42.1375 40.9857 161.008 40.9861 86.42 -73.7222 161.008 -73.7229 -0.991619 GPRESSURE: 2256000 17.8831 -80.8516 193.561 140.702 110.883 -80.5385 208.049 -46.4304 -5.04307 PRESSAVG: 2256000 82.6581 -17.2456 -13.114 -17.2456 -32.6663 5.66762 -13.1141 5.66762 11.4941 GPRESSAVG: 2256000 82.5054 -18.7586 -14.5537 -13.2804 -33.2147 3.20167 -12.8779 6.68954 12.1684 TIMING: 2256000 CPU: 7048.93, 0.00311487/step Wall: 7048.93, 0.00311487/step, 2.37422 hours remaining, 233.742188 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: 2256000 3965.7365 20594.6695 14412.1584 251.5639 -203891.8922 2938.8002 0.0000 0.0000 52009.3346 -109719.6292 298.8984 -161728.9637 -109357.1984 298.6242 14.4303 41.2412 761059.4785 20.4953 20.4864 PRESSURE: 2256200 -297.914 28.7069 217.668 28.7061 47.9594 1.05697 217.668 1.05738 150.941 GPRESSURE: 2256200 -295.814 107.939 149.744 2.7866 125.144 9.93361 166.16 -77.3628 156.403 PRESSAVG: 2256200 14.3629 -4.64193 49.0402 -4.64197 -54.6166 6.24495 49.0402 6.24496 -0.710343 GPRESSAVG: 2256200 15.018 -1.75486 49.419 -7.86438 -53.9571 6.4236 48.7638 7.07107 -1.47608 TIMING: 2256200 CPU: 7049.55, 0.00311764/step Wall: 7049.55, 0.00311764/step, 2.37616 hours remaining, 233.742188 MB of memory in use. ENERGY: 2256200 4074.8192 20604.3945 14363.3729 255.7753 -203242.8579 2437.2096 0.0000 0.0000 51939.9609 -109567.3255 298.4997 -161507.2864 -109218.6767 298.6601 -33.0045 -4.7556 761837.8882 -13.6547 -13.4717 LDB: ============= START OF LOAD BALANCING ============== 7062.03 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7062.03 LDB: =============== DONE WITH MIGRATION ================ 7062.03 LDB: ============= START OF LOAD BALANCING ============== 7062.34 LDB: Largest compute 7058 load 0.030679 is 15.7% of average load 0.195178 LDB: Average compute 0.004395 is 2.3% of average load 0.195178 LDB: TIME 7062.35 LOAD: AVG 0.195178 MAX 0.216657 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.512 MB LDB: TIME 7062.35 LOAD: AVG 0.195178 MAX 0.216657 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.551 MB LDB: TIME 7062.35 LOAD: AVG 0.195178 MAX 0.216657 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.551 MB LDB: ============== END OF LOAD BALANCING =============== 7062.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7062.35 PRESSURE: 2256400 98.4121 -60.324 194.398 -60.3246 -111.506 -128.226 194.398 -128.227 19.4591 GPRESSURE: 2256400 166.075 -19.4203 189.011 2.57025 -80.9587 -185.843 171.634 -86.4068 0.104898 PRESSAVG: 2256400 30.2701 -21.7007 1.63919 -21.7007 -54.0113 -60.9008 1.63917 -60.9009 26.5062 GPRESSAVG: 2256400 29.7187 -22.0382 3.24353 -21.4224 -52.95 -60.8446 1.03702 -61.0222 26.3179 TIMING: 2256400 CPU: 7050.19, 0.00318438/step Wall: 7050.19, 0.00318438/step, 2.42685 hours remaining, 234.765625 MB of memory in use. ENERGY: 2256400 3974.8698 20483.4668 14513.8150 236.0850 -203439.4974 2781.8336 0.0000 0.0000 51919.2135 -109530.2138 298.3804 -161449.4273 -109166.7263 298.3508 2.1216 28.4071 762080.0765 0.9216 1.0289 PRESSURE: 2256600 126.487 -158.889 -315.038 -158.889 -759.352 111.244 -315.038 111.243 -620.643 GPRESSURE: 2256600 -4.81556 -107.656 -279.31 -240.325 -554.813 125.905 -285.345 236.26 -614.575 PRESSAVG: 2256600 62.4148 -26.9043 10.8936 -26.9043 -26.3912 -28.5306 10.8936 -28.5306 2.0591 GPRESSAVG: 2256600 62.5217 -26.3561 10.4791 -28.0648 -26.5309 -28.3403 9.69537 -30.4405 1.86109 TIMING: 2256600 CPU: 7050.81, 0.00310364/step Wall: 7050.81, 0.00310364/step, 2.36515 hours remaining, 234.964844 MB of memory in use. ENERGY: 2256600 4010.5095 20425.1919 14455.7309 224.3431 -203282.2097 2384.1644 0.0000 0.0000 52081.4643 -109700.8056 299.3129 -161782.2699 -109337.7270 298.4512 -417.8362 -391.4014 761097.5579 12.6942 12.6173 PRESSURE: 2256800 135.959 -99.1166 171.249 -99.1164 -73.6785 74.5304 171.249 74.5309 -6.47922 GPRESSURE: 2256800 126.724 -83.8068 135.371 -116.763 4.31997 36.8655 -52.1719 -53.8242 2.76958 PRESSAVG: 2256800 47.6915 16.6871 51.172 16.687 -50.223 40.7245 51.172 40.7245 -18.9776 GPRESSAVG: 2256800 46.0711 14.4326 50.7415 18.0303 -49.7947 39.9684 52.7894 42.6064 -18.1179 TIMING: 2256800 CPU: 7051.43, 0.00309955/step Wall: 7051.43, 0.00309955/step, 2.36185 hours remaining, 234.964844 MB of memory in use. ENERGY: 2256800 3920.5846 20518.3348 14477.0314 224.8620 -203284.1303 2638.5808 0.0000 0.0000 51997.2567 -109507.4799 298.8289 -161504.7366 -109137.7619 298.9912 18.6004 44.6045 760282.6490 -7.1697 -7.2805 PRESSURE: 2257000 103.385 22.2432 -107.022 22.2423 425.373 -4.27039 -107.022 -4.27095 -194.356 GPRESSURE: 2257000 188.625 -60.039 -64.1367 64.1485 349.584 -147.652 -120.419 -16.9456 -112.106 PRESSAVG: 2257000 -6.08646 3.97748 1.07616 3.97742 11.8714 5.3947 1.0762 5.39469 14.4478 GPRESSAVG: 2257000 -4.93979 3.06617 0.869156 3.42492 11.2619 4.41396 0.135367 4.3755 13.8135 TIMING: 2257000 CPU: 7052.05, 0.00310528/step Wall: 7052.05, 0.00310528/step, 2.36605 hours remaining, 234.964844 MB of memory in use. ENERGY: 2257000 3987.3278 20420.0404 14467.2784 238.5950 -203562.6727 2873.8151 0.0000 0.0000 51997.6183 -109577.9978 298.8310 -161575.6160 -109211.9287 298.9310 111.4675 142.0342 762033.9438 6.7443 6.7119 PRESSURE: 2257200 83.3169 -59.7598 67.118 -59.759 -255.96 -128.861 67.1177 -128.861 48.5044 GPRESSURE: 2257200 142.718 106.612 51.1069 -111.688 -227.926 -104.546 107.909 15.9648 35.2809 PRESSAVG: 2257200 -12.1733 -17.1423 11.6536 -17.1422 -27.1556 25.8155 11.6535 25.8155 4.07186 GPRESSAVG: 2257200 -13.2743 -14.0349 11.875 -16.2903 -26.699 27.8977 15.5256 27.0758 4.63511 TIMING: 2257200 CPU: 7052.67, 0.00311801/step Wall: 7052.67, 0.00311801/step, 2.37557 hours remaining, 234.964844 MB of memory in use. ENERGY: 2257200 4001.0546 20574.3201 14395.0723 247.5990 -203271.6189 2614.7452 0.0000 0.0000 51862.2537 -109576.5740 298.0531 -161438.8277 -109220.5501 298.5045 -41.3796 -16.6424 763710.3095 -11.7523 -11.7794 PRESSURE: 2257400 140.796 63.6387 138.973 63.6384 365.065 -75.67 138.973 -75.6704 128.187 GPRESSURE: 2257400 157.553 45.688 119.024 126.805 375.292 -72.5332 149.848 66.0277 193.483 PRESSAVG: 2257400 40.8342 -44.1217 0.789126 -44.1217 12.5371 28.3805 0.789123 28.3805 26.6398 GPRESSAVG: 2257400 42.7236 -44.0028 0.713001 -42.3167 11.8006 28.0006 -2.22368 29.4384 25.6452 TIMING: 2257400 CPU: 7053.3, 0.00311707/step Wall: 7053.3, 0.00311707/step, 2.37469 hours remaining, 234.964844 MB of memory in use. ENERGY: 2257400 3982.1070 20460.1386 14458.7248 252.6451 -203836.0167 2960.3470 0.0000 0.0000 52105.0290 -109617.0252 299.4483 -161722.0542 -109260.9010 298.5595 211.3495 242.1095 762665.5189 26.6704 26.7231 PRESSURE: 2257600 -51.903 -84.3222 -81.0286 -84.322 -264.395 53.9484 -81.0286 53.9482 -317.286 GPRESSURE: 2257600 -36.3732 -179.598 -120.553 -104.714 -211.323 -44.5521 -200.043 18.0321 -283.63 PRESSAVG: 2257600 -53.9987 -24.8205 -27.616 -24.8205 32.8746 43.6546 -27.616 43.6547 0.446077 GPRESSAVG: 2257600 -55.3746 -27.118 -27.5501 -25.9777 33.2659 44.4186 -26.855 41.6306 2.07153 TIMING: 2257600 CPU: 7053.92, 0.00311419/step Wall: 7053.92, 0.00311419/step, 2.37232 hours remaining, 234.964844 MB of memory in use. ENERGY: 2257600 3957.7996 20313.2918 14463.8383 239.3535 -203493.2936 2850.7812 0.0000 0.0000 52124.6823 -109543.5470 299.5613 -161668.2293 -109183.6003 298.5802 -211.1947 -177.1086 762580.7002 -6.8927 -6.6790 PRESSURE: 2257800 48.4438 -90.5025 -168.262 -90.5039 138.101 202.084 -168.261 202.083 543.77 GPRESSURE: 2257800 23.7646 -198.606 -55.4039 -196.054 260.749 185.411 -102.595 23.3941 509.943 PRESSAVG: 2257800 -24.9413 -47.8012 42.0957 -47.8011 22.1116 -11.0427 42.0956 -11.0427 -9.84039 GPRESSAVG: 2257800 -23.7001 -48.1949 43.0842 -48.6768 22.4278 -12.9553 42.0271 -8.44963 -11.0277 TIMING: 2257800 CPU: 7054.54, 0.00310722/step Wall: 7054.54, 0.00310722/step, 2.36684 hours remaining, 234.964844 MB of memory in use. ENERGY: 2257800 3979.5048 20466.1802 14458.2195 238.3058 -203762.4919 3052.0598 0.0000 0.0000 51897.3098 -109670.9120 298.2546 -161568.2218 -109293.5725 298.5721 243.4381 264.8190 762601.9225 -4.2233 -4.1000 PRESSURE: 2258000 -196.686 -180.539 150.927 -180.539 -7.46397 175.76 150.927 175.761 252.109 GPRESSURE: 2258000 -208.651 -111.111 88.949 -208.064 11.4499 194.489 149.809 162.652 329.282 PRESSAVG: 2258000 8.6522 -60.7294 -7.11745 -60.7294 22.8768 -49.3938 -7.11746 -49.394 7.29379 GPRESSAVG: 2258000 8.40333 -57.0968 -7.79883 -60.4705 21.3541 -48.3348 -6.86776 -53.4885 8.86209 TIMING: 2258000 CPU: 7055.16, 0.00311341/step Wall: 7055.16, 0.00311341/step, 2.37138 hours remaining, 234.964844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2258000 3984.2501 20476.4255 14433.4624 236.7385 -203639.4692 2918.3518 0.0000 0.0000 51859.0407 -109731.2001 298.0346 -161590.2408 -109369.1502 298.5185 15.9864 44.0272 762446.7064 12.9409 12.8732 PRESSURE: 2258200 -353.478 -88.331 -94.5777 -88.3318 -217.507 -54.9233 -94.5782 -54.9246 -501.817 GPRESSURE: 2258200 -287.719 -63.9745 -61.7007 -141.193 -207.938 -34.0846 -57.5354 -5.62812 -492.711 PRESSAVG: 2258200 19.6047 -60.0879 19.5072 -60.0879 7.10338 -1.68484 19.5072 -1.68481 -0.874591 GPRESSAVG: 2258200 18.861 -63.7837 20.1686 -61.3081 7.74588 -1.61258 18.2377 0.47871 -0.267883 TIMING: 2258200 CPU: 7055.78, 0.00310504/step Wall: 7055.78, 0.00310504/step, 2.36483 hours remaining, 234.964844 MB of memory in use. ENERGY: 2258200 3972.3718 20428.8247 14419.3686 250.9382 -203315.6062 2555.0671 0.0000 0.0000 52028.9872 -109660.0486 299.0113 -161689.0358 -109297.2994 298.5494 -357.6006 -329.4561 762223.2780 8.6112 8.7797 PRESSURE: 2258400 -211.699 -41.1108 96.6097 -41.1098 89.6779 -12.6063 96.6091 -12.6064 42.2802 GPRESSURE: 2258400 -139.855 9.41381 105.212 -57.9727 60.138 -4.46348 103.077 115.454 85.582 PRESSAVG: 2258400 3.74431 -15.7501 31.3619 -15.7501 8.38059 -39.3898 31.3619 -39.3897 -19.6911 GPRESSAVG: 2258400 4.35727 -14.1134 31.1399 -15.6405 9.21011 -39.3924 33.2745 -41.3332 -21.7247 TIMING: 2258400 CPU: 7056.4, 0.00310746/step Wall: 7056.4, 0.00310746/step, 2.3665 hours remaining, 234.964844 MB of memory in use. ENERGY: 2258400 4102.6673 20319.7090 14424.2164 249.9897 -203251.8382 2715.3920 0.0000 0.0000 51931.5926 -109508.2712 298.4516 -161439.8637 -109144.9050 298.3319 -26.5803 1.9551 761568.3719 -2.5221 -2.7191 PRESSURE: 2258600 143.076 -133.144 -34.6423 -133.144 198.163 60.498 -34.6418 60.4984 127.654 GPRESSURE: 2258600 241.242 -39.0775 -8.73837 -32.6931 255.074 90.6327 0.368655 -64.1761 55.9111 PRESSAVG: 2258600 -5.66329 -1.85236 26.7754 -1.85241 27.1867 -23.3522 26.7754 -23.3521 -16.456 GPRESSAVG: 2258600 -4.79075 -2.42142 27.162 -2.94831 25.8256 -23.6626 25.2605 -22.2016 -16.0537 TIMING: 2258600 CPU: 7057.02, 0.00309128/step Wall: 7057.02, 0.00309128/step, 2.35401 hours remaining, 234.964844 MB of memory in use. ENERGY: 2258600 3997.6828 20363.3932 14420.4360 236.0239 -203612.8275 2838.0086 0.0000 0.0000 52216.4268 -109540.8560 300.0885 -161757.2828 -109174.7281 298.9305 156.2977 184.0757 760612.7395 1.6891 1.6604 PRESSURE: 2258800 236.67 -31.657 -61.8419 -31.6566 238.946 -307.093 -61.8424 -307.092 116.434 GPRESSURE: 2258800 286.127 75.4541 -19.8688 -85.4159 253.917 -295.381 -130.64 -238.119 123.671 PRESSAVG: 2258800 26.6144 -42.2476 -14.181 -42.2476 12.8699 -10.5918 -14.181 -10.5917 -9.27495 GPRESSAVG: 2258800 25.8169 -41.6149 -16.6398 -41.3477 14.5338 -10.2193 -14.641 -9.09894 -9.79327 TIMING: 2258800 CPU: 7057.64, 0.00309439/step Wall: 7057.64, 0.00309439/step, 2.3562 hours remaining, 234.964844 MB of memory in use. ENERGY: 2258800 3958.5623 20419.1532 14406.0157 234.8437 -203458.5242 2879.9333 0.0000 0.0000 51983.4032 -109576.6129 298.7493 -161560.0161 -109211.5458 298.7016 197.3500 221.2382 761951.9887 10.0698 10.1858 PRESSURE: 2259000 -206.129 97.4727 24.8094 97.4728 -133.963 135.893 24.8082 135.893 108.311 GPRESSURE: 2259000 -158.321 187.593 -4.81682 136.21 -129.028 152.456 75.5826 117.874 106.677 PRESSAVG: 2259000 13.4578 -27.5497 14.0466 -27.5497 3.31409 14.641 14.0466 14.641 -8.21621 GPRESSAVG: 2259000 14.1512 -25.3914 14.409 -27.0863 1.76978 13.8731 13.6345 13.3323 -7.67943 TIMING: 2259000 CPU: 7058.26, 0.00310555/step Wall: 7058.26, 0.00310555/step, 2.36453 hours remaining, 234.964844 MB of memory in use. ENERGY: 2259000 3925.9347 20470.4073 14410.0779 241.1994 -202994.9099 2582.8669 0.0000 0.0000 51965.1623 -109399.2614 298.6445 -161364.4237 -109044.2393 298.8255 -77.2600 -60.2238 762952.4097 2.8519 2.7472 PRESSURE: 2259200 -100.17 57.949 -25.9597 57.9495 52.5372 77.3359 -25.9595 77.335 -43.5018 GPRESSURE: 2259200 -134.212 -6.86679 -28.0919 73.6216 107.276 128.506 -127.753 91.2732 -0.234672 PRESSAVG: 2259200 -46.6422 -21.2265 30.2033 -21.2265 61.5725 -29.7189 30.2033 -29.7188 -19.1931 GPRESSAVG: 2259200 -47.2305 -22.1141 30.3001 -21.9797 61.6365 -28.553 30.6856 -29.3272 -18.9394 TIMING: 2259200 CPU: 7058.89, 0.00311624/step Wall: 7058.89, 0.00311624/step, 2.3725 hours remaining, 234.964844 MB of memory in use. ENERGY: 2259200 4001.4978 20572.9309 14524.4234 263.7819 -203506.1127 2786.0722 0.0000 0.0000 51967.9563 -109389.4503 298.6606 -161357.4065 -109026.5228 298.8211 -30.3783 -9.0567 763293.0688 -1.4209 -1.5111 PRESSURE: 2259400 -147.312 29.8946 -46.4455 29.8947 -130.632 28.9097 -46.4454 28.9099 -383.786 GPRESSURE: 2259400 -76.3427 52.2631 -118.913 -30.5222 -153.509 -87.397 -81.6672 77.6522 -356.076 PRESSAVG: 2259400 -16.3989 -16.1134 17.962 -16.1134 18.8302 -26.6078 17.962 -26.6078 -4.77771 GPRESSAVG: 2259400 -16.7754 -16.7702 18.2955 -16.4888 19.4573 -28.595 16.9644 -25.2956 -5.20013 TIMING: 2259400 CPU: 7059.51, 0.00310906/step Wall: 7059.51, 0.00310906/step, 2.36686 hours remaining, 234.964844 MB of memory in use. ENERGY: 2259400 4045.5547 20558.1716 14457.4118 238.5225 -203757.8027 2808.2428 0.0000 0.0000 52182.4089 -109467.4904 299.8930 -161649.8993 -109098.6502 298.7842 -220.5765 -195.3093 764240.8326 -0.7821 -0.8394 PRESSURE: 2259600 -140.163 314.199 13.2704 314.198 -343.918 50.0804 13.2703 50.0796 -285.614 GPRESSURE: 2259600 -85.9464 175.731 6.71711 311.487 -269.064 70.298 41.8556 34.1291 -330.024 PRESSAVG: 2259600 4.31302 11.8525 1.84045 11.8525 -50.5382 -47.9374 1.84051 -47.9375 16.7821 GPRESSAVG: 2259600 5.77492 12.0118 2.02406 10.3688 -51.4612 -48.3693 1.62842 -46.8547 16.3554 TIMING: 2259600 CPU: 7060.13, 0.00311765/step Wall: 7060.13, 0.00311764/step, 2.37322 hours remaining, 234.964844 MB of memory in use. ENERGY: 2259600 3926.2351 20395.4035 14452.8593 260.7410 -202999.5161 2361.7850 0.0000 0.0000 52135.7663 -109466.7260 299.6250 -161602.4923 -109097.2370 298.8989 -256.5652 -228.3448 763817.2196 -9.8143 -9.7770 PRESSURE: 2259800 93.5648 59.4686 155.36 59.4685 -31.3388 -166.711 155.36 -166.711 -355.027 GPRESSURE: 2259800 55.861 29.941 87.8058 31.2732 58.2687 -201.817 258.645 -76.6302 -305.348 PRESSAVG: 2259800 41.2909 27.704 1.20487 27.7039 -46.3637 -26.2155 1.20483 -26.2155 8.90154 GPRESSAVG: 2259800 40.9958 26.8832 1.87189 28.7462 -45.4158 -25.6974 0.714475 -27.2845 8.12208 TIMING: 2259800 CPU: 7060.75, 0.00310845/step Wall: 7060.75, 0.00310845/step, 2.36605 hours remaining, 234.964844 MB of memory in use. ENERGY: 2259800 4007.2958 20386.5697 14464.6954 257.8067 -203286.0499 2556.6069 0.0000 0.0000 52152.4321 -109460.6434 299.7207 -161613.0755 -109105.9913 299.7813 -97.6002 -63.7394 763353.9448 1.2763 1.2340 PRESSURE: 2260000 137.993 95.6299 136.881 95.6295 371.622 -131.697 136.881 -131.696 182.194 GPRESSURE: 2260000 168.94 -5.25563 217.543 -57.0889 424.695 -142.052 157.008 -186.552 178.328 PRESSAVG: 2260000 -34.5291 52.6182 31.6918 52.6182 0.732641 -10.9635 31.6918 -10.9635 11.5326 GPRESSAVG: 2260000 -35.151 51.588 30.0263 51.9043 1.10976 -10.2391 34.0382 -9.89636 12.0668 TIMING: 2260000 CPU: 7061.38, 0.00312806/step Wall: 7061.38, 0.00312806/step, 2.3808 hours remaining, 234.964844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2260000 3983.9131 20336.6961 14439.8801 234.9300 -203517.9178 2974.9057 0.0000 0.0000 51976.6161 -109570.9766 298.7103 -161547.5927 -109213.1858 299.0622 230.6029 257.3210 763272.2335 -7.4213 -7.3248 PRESSURE: 2260200 25.3448 -33.0944 38.7548 -33.0949 128.73 -165.565 38.7552 -165.566 -538.591 GPRESSURE: 2260200 53.2132 -76.5271 72.7196 79.3921 148.848 -211.34 76.4906 -131.553 -504.42 PRESSAVG: 2260200 7.4796 -17.889 -8.31108 -17.889 6.92866 -28.1659 -8.31102 -28.166 -20.4586 GPRESSAVG: 2260200 7.58425 -15.3992 -7.64008 -16.6033 5.91982 -29.2621 -9.23545 -30.3038 -19.1975 TIMING: 2260200 CPU: 7062, 0.00311825/step Wall: 7062, 0.00311825/step, 2.37316 hours remaining, 234.964844 MB of memory in use. ENERGY: 2260200 3974.1498 20546.1842 14412.5490 241.7753 -203321.4602 2710.7170 0.0000 0.0000 51881.3199 -109554.7649 298.1627 -161436.0848 -109204.4222 298.3264 -128.1722 -100.7862 762647.6549 -2.0168 -1.8978 LDB: ============= START OF LOAD BALANCING ============== 7074.48 LDB: ============== END OF LOAD BALANCING =============== 7074.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7074.48 LDB: ============= START OF LOAD BALANCING ============== 7074.8 LDB: Largest compute 7068 load 0.029443 is 15.1% of average load 0.195063 LDB: Average compute 0.004420 is 2.3% of average load 0.195063 LDB: TIME 7074.8 LOAD: AVG 0.195063 MAX 0.216902 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.742 MB LDB: TIME 7074.8 LOAD: AVG 0.195063 MAX 0.216902 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.836 MB LDB: TIME 7074.8 LOAD: AVG 0.195063 MAX 0.216902 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.836 MB LDB: ============== END OF LOAD BALANCING =============== 7074.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7074.81 PRESSURE: 2260400 85.2328 114.344 194.714 114.345 195.445 -239.511 194.714 -239.51 95.4877 GPRESSURE: 2260400 149.583 26.0691 237.868 28.3388 159.351 -240.636 157.113 -368.663 136.991 PRESSAVG: 2260400 -84.9417 -30.8554 2.92645 -30.8554 50.3815 -12.2896 2.92648 -12.2897 34.3141 GPRESSAVG: 2260400 -84.1667 -30.7596 3.27069 -31.3526 50.8843 -11.3773 2.46804 -11.2086 32.9025 TIMING: 2260400 CPU: 7062.64, 0.00320248/step Wall: 7062.64, 0.00320248/step, 2.43709 hours remaining, 234.511719 MB of memory in use. ENERGY: 2260400 3962.4553 20589.7310 14397.3312 241.7310 -203644.6260 3045.2099 0.0000 0.0000 51872.1958 -109535.9718 298.1102 -161408.1676 -109181.9969 298.3956 125.3884 148.6413 762527.6242 -0.0821 -0.1266 PRESSURE: 2260600 241.81 92.0421 25.9447 92.0435 53.1596 34.7377 25.9447 34.7382 -468.155 GPRESSURE: 2260600 238.837 134.653 -27.741 224.039 75.9253 -17.5255 -2.83729 -46.5305 -409.498 PRESSAVG: 2260600 -27.4879 14.4425 24.8669 14.4424 64.2221 -44.1355 24.8669 -44.1355 -45.2387 GPRESSAVG: 2260600 -28.8844 14.3358 25.4549 15.186 65.2166 -43.6781 23.9439 -44.3791 -44.7694 TIMING: 2260600 CPU: 7063.27, 0.00311481/step Wall: 7063.27, 0.00311481/step, 2.3702 hours remaining, 234.714844 MB of memory in use. ENERGY: 2260600 4004.2398 20641.2364 14537.1011 258.2385 -203560.8684 2674.4082 0.0000 0.0000 51750.4247 -109695.2197 297.4104 -161445.6444 -109337.4883 298.4926 -57.7285 -31.5786 763119.0038 -2.8348 -2.8124 PRESSURE: 2260800 103.648 93.3364 262.55 93.3355 -174.081 -67.2286 262.551 -67.2276 131.084 GPRESSURE: 2260800 206.738 76.6017 291.03 5.49287 -260.46 95.5887 141.651 -96.2873 208.705 PRESSAVG: 2260800 -33.5738 -10.4506 -24.3613 -10.4505 1.29836 -50.1327 -24.3612 -50.1327 -0.894493 GPRESSAVG: 2260800 -32.118 -10.863 -25.8526 -11.2758 -1.08507 -50.186 -22.0035 -51.8947 0.163317 TIMING: 2260800 CPU: 7063.89, 0.00311133/step Wall: 7063.89, 0.00311133/step, 2.36738 hours remaining, 234.714844 MB of memory in use. ENERGY: 2260800 3982.9300 20587.0368 14467.8121 243.8158 -203570.9134 2810.5172 0.0000 0.0000 51799.1679 -109679.6338 297.6905 -161478.8016 -109321.4057 298.5565 20.2168 51.6612 761979.4874 -11.0566 -11.0132 PRESSURE: 2261000 -224.897 -59.0424 109.99 -59.0425 -272.149 73.1416 109.99 73.1412 -278.286 GPRESSURE: 2261000 -157.221 -59.4815 54.089 -23.954 -300.182 65.1381 177.5 4.92358 -232.641 PRESSAVG: 2261000 37.1841 -24.0507 9.32835 -24.0506 11.7051 -8.8924 9.32832 -8.89243 7.4274 GPRESSAVG: 2261000 36.4806 -23.7434 10.4839 -25.9624 11.5642 -7.96756 9.93526 -9.22317 7.94217 TIMING: 2261000 CPU: 7064.51, 0.00311773/step Wall: 7064.51, 0.00311773/step, 2.37208 hours remaining, 234.714844 MB of memory in use. ENERGY: 2261000 3965.9782 20529.8878 14504.4680 240.1122 -203547.5062 2702.2159 0.0000 0.0000 51733.8508 -109870.9932 297.3152 -161604.8440 -109510.6813 298.3319 -258.4439 -230.0148 763026.3384 18.7722 18.6623 PRESSURE: 2261200 -13.9881 -163.904 -20.3215 -163.904 69.1694 51.6178 -20.3209 51.617 -45.3538 GPRESSURE: 2261200 -8.77372 -195.603 36.9171 -85.2458 145.149 113.657 -5.8359 -67.1359 -21.5122 PRESSAVG: 2261200 -17.2124 -40.2401 -25.1261 -40.2401 11.7178 11.2761 -25.126 11.2761 1.77825 GPRESSAVG: 2261200 -18.1645 -41.908 -27.2598 -38.0528 14.7685 10.1659 -25.066 11.2986 -0.338678 TIMING: 2261200 CPU: 7065.14, 0.00312807/step Wall: 7065.14, 0.00312807/step, 2.37976 hours remaining, 234.714844 MB of memory in use. ENERGY: 2261200 4012.5484 20444.6819 14527.5596 231.5031 -203717.0186 2705.7955 0.0000 0.0000 51961.8741 -109833.0561 298.6256 -161794.9302 -109478.4588 298.5935 3.2758 38.2876 761718.1560 -1.2388 -1.2449 PRESSURE: 2261400 -222.801 -109.72 82.5139 -109.72 -255.79 -123.865 82.5135 -123.866 -198.062 GPRESSURE: 2261400 -169.353 -51.7644 83.1904 -82.8041 -166.879 -63.6279 77.9974 -118.693 -263.159 PRESSAVG: 2261400 -29.4439 4.09807 12.5559 4.098 73.2221 14.8547 12.556 14.8547 -9.57807 GPRESSAVG: 2261400 -28.7248 5.68863 13.861 3.58916 71.1151 13.9007 12.4942 18.5337 -8.63656 TIMING: 2261400 CPU: 7065.76, 0.00309048/step Wall: 7065.76, 0.00309048/step, 2.351 hours remaining, 234.714844 MB of memory in use. ENERGY: 2261400 4021.2820 20508.3041 14417.4004 233.1800 -203337.8991 2532.5612 0.0000 0.0000 52150.8774 -109474.2940 299.7118 -161625.1714 -109122.0519 298.6727 -225.5509 -199.7971 761706.3561 11.4000 11.2512 PRESSURE: 2261600 -291.355 -151.1 148.763 -151.1 49.6313 -77.5993 148.764 -77.5988 -197.827 GPRESSURE: 2261600 -199.187 -207.862 16.4028 -160.993 13.7157 -108.031 23.2811 -24.0212 -174.369 PRESSAVG: 2261600 13.788 -85.6554 69.3787 -85.6554 -8.59895 8.60646 69.3787 8.60647 -8.97312 GPRESSAVG: 2261600 14.9409 -86.4535 68.6453 -85.6739 -8.65944 9.35572 69.1528 5.30804 -9.59811 TIMING: 2261600 CPU: 7066.38, 0.00311403/step Wall: 7066.38, 0.00311403/step, 2.36874 hours remaining, 234.714844 MB of memory in use. ENERGY: 2261600 4043.9906 20588.4392 14397.3125 240.3123 -203839.0492 3063.8839 0.0000 0.0000 51927.9239 -109577.1868 298.4305 -161505.1107 -109213.5641 299.0754 -146.5169 -119.9466 761934.7850 -1.2614 -1.1055 PRESSURE: 2261800 69.7993 127.59 -41.5973 127.59 -140.254 89.0795 -41.5969 89.0801 181.083 GPRESSURE: 2261800 109.245 20.1146 63.0241 173.049 -35.0212 185.821 5.14985 96.2721 119.526 PRESSAVG: 2261800 -27.7046 22.3293 -31.0334 22.3293 28.1844 -56.5709 -31.0334 -56.5709 3.62116 GPRESSAVG: 2261800 -26.9693 21.1647 -31.0016 21.5122 28.0131 -54.5826 -32.6619 -54.9795 2.78919 TIMING: 2261800 CPU: 7067, 0.00311327/step Wall: 7067, 0.00311327/step, 2.36799 hours remaining, 234.714844 MB of memory in use. ENERGY: 2261800 3998.4649 20599.7749 14438.0871 254.6280 -203432.1235 2403.8544 0.0000 0.0000 52150.0711 -109587.2431 299.7072 -161737.3142 -109213.9544 298.9817 36.8761 64.5833 761368.5550 1.3670 1.2777 PRESSURE: 2262000 61.4761 64.7286 -132.096 64.7284 229.773 5.764 -132.096 5.76401 -171.177 GPRESSURE: 2262000 -3.52569 -72.7336 -92.6575 53.1929 261.107 -49.0941 -191.501 -101.089 -64.7 PRESSAVG: 2262000 -36.5644 16.086 -16.3643 16.086 24.9359 -27.7019 -16.3643 -27.702 -9.8644 GPRESSAVG: 2262000 -37.7197 15.7351 -14.4169 17.275 24.4227 -29.5 -16.0752 -28.0146 -8.3182 TIMING: 2262000 CPU: 7067.63, 0.00312236/step Wall: 7067.63, 0.00312236/step, 2.37473 hours remaining, 234.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2262000 4092.5723 20564.7940 14431.0101 256.0645 -203815.4721 2816.5041 0.0000 0.0000 51982.4638 -109672.0633 298.7439 -161654.5272 -109304.8260 298.8463 40.0241 64.2936 761501.4672 -7.1643 -7.2051 PRESSURE: 2262200 526.923 -40.9123 143.271 -40.9117 404.385 -86.4484 143.271 -86.4488 -34.0021 GPRESSURE: 2262200 530.331 -38.7409 164.874 -117.042 429.57 -151.514 151.788 -25.0887 10.9771 PRESSAVG: 2262200 5.96168 -41.7356 -3.4686 -41.7356 8.88204 -55.6531 -3.46866 -55.6531 -2.03497 GPRESSAVG: 2262200 5.14895 -41.3706 -3.64074 -43.5316 11.5181 -57.3689 -3.85522 -56.6048 -4.33739 TIMING: 2262200 CPU: 7068.25, 0.00311909/step Wall: 7068.25, 0.00311908/step, 2.37206 hours remaining, 234.714844 MB of memory in use. ENERGY: 2262200 4001.0099 20434.0092 14421.0679 240.6532 -203972.1793 2953.9716 0.0000 0.0000 51996.8192 -109924.6484 298.8264 -161921.4676 -109556.2745 298.5255 299.1021 323.6262 760698.2701 4.2696 4.1099 PRESSURE: 2262400 -105.145 50.242 -117.623 50.2424 211.114 166.137 -117.624 166.136 464.655 GPRESSURE: 2262400 -57.3863 -79.5749 -15.8632 -24.3714 162.938 132.074 -204.852 84.6107 551.922 PRESSAVG: 2262400 32.041 15.4475 -11.4112 15.4475 -27.4694 47.1038 -11.4112 47.104 -2.50784 GPRESSAVG: 2262400 33.2377 15.0675 -12.0069 15.4385 -30.6268 52.1892 -10.1494 43.6519 -0.425315 TIMING: 2262400 CPU: 7068.87, 0.00309775/step Wall: 7068.87, 0.00309775/step, 2.35566 hours remaining, 234.714844 MB of memory in use. ENERGY: 2262400 3955.0231 20550.7819 14473.0252 244.0411 -203925.4547 2809.6348 0.0000 0.0000 51811.6528 -110081.2957 297.7623 -161892.9485 -109719.9547 298.3765 190.2081 219.1580 760280.9829 0.6879 0.7286 PRESSURE: 2262600 -50.7803 -82.1711 -116.277 -82.1707 -219.854 -184.189 -116.277 -184.19 3.55684 GPRESSURE: 2262600 -51.5048 -11.5697 -176.31 -10.4986 -92.9489 -199.943 -74.2337 -176.545 -39.8259 PRESSAVG: 2262600 39.3785 -11.6603 -36.7716 -11.6602 -9.94552 1.96254 -36.7716 1.96262 20.7702 GPRESSAVG: 2262600 38.2949 -9.75413 -37.0953 -11.0411 -8.32826 -1.80198 -37.0673 5.02938 20.4556 TIMING: 2262600 CPU: 7069.49, 0.00311356/step Wall: 7069.49, 0.00311356/step, 2.36752 hours remaining, 234.714844 MB of memory in use. ENERGY: 2262600 3988.7804 20421.5503 14411.5107 252.2746 -203841.7225 2609.2600 0.0000 0.0000 51928.9895 -110229.3570 298.4366 -162158.3465 -109864.5201 297.3982 -89.0259 -61.4265 760660.5852 16.7344 16.8074 PRESSURE: 2262800 -139.572 50.5337 -59.6138 50.5337 -73.5268 101.448 -59.6144 101.449 99.9353 GPRESSURE: 2262800 -58.8431 -110.079 -46.4711 -1.64331 -25.2097 105.333 -63.2285 200.958 47.0886 PRESSAVG: 2262800 -17.4987 -43.8343 -32.5562 -43.8343 -30.1269 -41.2607 -32.5562 -41.2607 -27.6776 GPRESSAVG: 2262800 -16.9335 -43.3581 -33.2884 -43.0323 -29.2922 -40.5476 -34.3425 -40.9807 -29.1963 TIMING: 2262800 CPU: 7070.11, 0.00310565/step Wall: 7070.11, 0.00310565/step, 2.36133 hours remaining, 234.714844 MB of memory in use. ENERGY: 2262800 3978.1514 20421.5366 14515.0993 221.6157 -203941.4322 2859.7771 0.0000 0.0000 51867.9615 -110077.2907 298.0859 -161945.2522 -109709.5456 297.8011 -37.7212 -12.3214 762207.7126 -25.1011 -25.1407 PRESSURE: 2263000 445.9 69.3986 -4.96854 69.3978 246.5 103.023 -4.96859 103.022 259.017 GPRESSURE: 2263000 485.353 25.4238 10.7737 62.9041 227.514 101.49 -13.5026 154.562 342.007 PRESSAVG: 2263000 -10.6045 0.180897 -14.3126 0.18089 15.8355 -26.1212 -14.3126 -26.1212 -12.4906 GPRESSAVG: 2263000 -10.9847 -2.38923 -15.4652 -0.076198 15.1603 -27.5806 -13.7897 -24.1888 -10.9328 TIMING: 2263000 CPU: 7070.73, 0.0030966/step Wall: 7070.73, 0.0030966/step, 2.35428 hours remaining, 234.769531 MB of memory in use. ENERGY: 2263000 3977.2173 20440.1693 14448.0098 236.7128 -204199.6325 3223.9457 0.0000 0.0000 51941.4173 -109932.1604 298.5080 -161873.5777 -109571.5367 297.9026 317.1389 351.6249 763318.8116 -2.4199 -2.2524 PRESSURE: 2263200 -276.873 -192.092 -136.444 -192.092 152.686 -141.921 -136.445 -141.922 95.9791 GPRESSURE: 2263200 -196.676 -273.424 -90.8526 -178.373 114.913 -138.888 -201.037 -95.248 128.33 PRESSAVG: 2263200 -5.73232 -51.6649 -5.28661 -51.6649 -31.8759 -14.4085 -5.28663 -14.4085 -23.2439 GPRESSAVG: 2263200 -5.11757 -50.9515 -3.57364 -52.0455 -33.2412 -13.6442 -3.52794 -18.1483 -22.3759 TIMING: 2263200 CPU: 7071.35, 0.00309926/step Wall: 7071.35, 0.00309926/step, 2.35613 hours remaining, 234.769531 MB of memory in use. ENERGY: 2263200 4014.0564 20446.8815 14426.8444 235.2153 -203522.0638 2796.2125 0.0000 0.0000 51675.1075 -109927.7462 296.9776 -161602.8537 -109568.9157 297.9368 -9.4026 15.5219 763984.9042 -20.2840 -20.2449 PRESSURE: 2263400 -3.31344 -74.7674 -154.321 -74.7679 177.04 -59.626 -154.32 -59.6264 -36.5815 GPRESSURE: 2263400 129.101 -7.47738 -137.915 -34.6626 165.415 -61.563 -129.208 -50.9759 -41.8753 PRESSAVG: 2263400 -13.3502 -3.06583 0.222352 -3.06584 9.78393 -50.2261 0.222382 -50.2261 2.06926 GPRESSAVG: 2263400 -12.7623 -2.52444 0.976384 -2.58805 11.0677 -49.1651 0.0429793 -47.059 0.923211 TIMING: 2263400 CPU: 7071.97, 0.00310159/step Wall: 7071.97, 0.00310159/step, 2.35772 hours remaining, 234.769531 MB of memory in use. ENERGY: 2263400 3969.1052 20342.4783 14531.7997 236.8655 -203577.9156 2750.8170 0.0000 0.0000 51865.4690 -109881.3809 298.0716 -161746.8499 -109523.0824 298.0158 45.7151 84.2138 760852.5474 -0.4990 -0.2571 PRESSURE: 2263600 124.94 -263.958 90.3746 -263.957 -219.316 -63.2242 90.3746 -63.2244 -342.471 GPRESSURE: 2263600 143.561 -231.29 150.911 -336.203 -242.803 -29.2722 -73.5793 -84.0399 -245.526 PRESSAVG: 2263600 0.926869 -27.4589 -69.3271 -27.4589 -10.7882 -33.6658 -69.3271 -33.6659 -20.7258 GPRESSAVG: 2263600 0.878689 -28.511 -70.296 -27.0387 -10.6205 -35.0641 -69.1488 -34.7973 -20.5651 TIMING: 2263600 CPU: 7072.6, 0.00312012/step Wall: 7072.6, 0.00312012/step, 2.37164 hours remaining, 234.769531 MB of memory in use. ENERGY: 2263600 4073.1864 20569.9129 14484.3918 267.1036 -203866.9674 2895.6497 0.0000 0.0000 51840.8420 -109735.8810 297.9300 -161576.7230 -109369.5553 298.1768 -145.6157 -114.9227 762694.1894 -10.1957 -10.1023 PRESSURE: 2263800 -215.196 9.8293 -69.8274 9.82902 -349.776 -35.5169 -69.8276 -35.5184 -325.599 GPRESSURE: 2263800 -140.166 133.898 -87.534 32.9577 -398.563 -45.1719 -64.8481 60.9212 -271.163 PRESSAVG: 2263800 -43.7024 -26.9791 -25.618 -26.9791 37.6456 -50.0646 -25.618 -50.0646 9.48047 GPRESSAVG: 2263800 -44.0207 -27.2651 -24.2726 -28.4258 37.2933 -48.2297 -28.8387 -49.6898 10.0384 TIMING: 2263800 CPU: 7073.21, 0.00309172/step Wall: 7073.21, 0.00309172/step, 2.34988 hours remaining, 234.769531 MB of memory in use. ENERGY: 2263800 4019.3342 20543.5880 14447.2606 256.5332 -203535.6858 2701.6344 0.0000 0.0000 51832.5585 -109734.7768 297.8824 -161567.3353 -109373.5645 298.5118 -296.8570 -269.9640 763152.2104 1.1412 1.1037 PRESSURE: 2264000 -8.50895 307.502 -161.137 307.501 247.488 53.7532 -161.137 53.7535 144.167 GPRESSURE: 2264000 36.0699 230.876 -168.94 279.496 250.603 -17.8238 -137.613 116.074 185.265 PRESSAVG: 2264000 -32.0154 -18.6668 -61.3551 -18.6668 3.80722 -22.488 -61.3551 -22.4878 -1.12856 GPRESSAVG: 2264000 -30.7065 -19.4432 -61.7889 -17.8395 3.46319 -24.5565 -60.7673 -21.921 -2.03832 TIMING: 2264000 CPU: 7073.83, 0.00309636/step Wall: 7073.83, 0.00309636/step, 2.35324 hours remaining, 234.769531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2264000 4003.2451 20447.9806 14446.2258 241.7121 -203558.0002 2733.1140 0.0000 0.0000 51626.4959 -110059.2267 296.6982 -161685.7226 -109704.0565 297.6571 127.7153 157.3127 762304.3411 -9.7789 -9.7605 PRESSURE: 2264200 196.337 69.281 -28.8453 69.281 -286.701 -78.3271 -28.8449 -78.3276 177.574 GPRESSURE: 2264200 156.352 -52.9941 45.371 5.56359 -203.988 -29.6887 0.045036 -75.3406 217.112 PRESSAVG: 2264200 -30.533 33.5894 -20.0545 33.5893 68.8898 -21.099 -20.0545 -21.0989 -2.15223 GPRESSAVG: 2264200 -32.0986 35.0555 -19.3285 30.4383 68.0548 -20.082 -19.2524 -22.4921 0.358892 TIMING: 2264200 CPU: 7074.45, 0.003093/step Wall: 7074.45, 0.003093/step, 2.35051 hours remaining, 234.769531 MB of memory in use. ENERGY: 2264200 3911.8841 20545.5941 14480.7762 275.5884 -203831.7319 2762.2451 0.0000 0.0000 52062.3647 -109793.2793 299.2031 -161855.6440 -109429.2515 297.4504 29.0699 56.4918 761664.4382 12.0682 12.1050 LDB: ============= START OF LOAD BALANCING ============== 7086.93 LDB: ============== END OF LOAD BALANCING =============== 7086.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7086.93 LDB: ============= START OF LOAD BALANCING ============== 7087.24 LDB: Largest compute 7068 load 0.031482 is 16.1% of average load 0.195091 LDB: Average compute 0.004395 is 2.3% of average load 0.195091 LDB: TIME 7087.25 LOAD: AVG 0.195091 MAX 0.221105 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.93 MB LDB: TIME 7087.25 LOAD: AVG 0.195091 MAX 0.221105 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.934 MB LDB: TIME 7087.25 LOAD: AVG 0.195091 MAX 0.217235 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.934 MB LDB: ============== END OF LOAD BALANCING =============== 7087.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7087.25 PRESSURE: 2264400 -287.975 35.3504 56.7888 35.3504 142.876 195.251 56.7889 195.251 104.687 GPRESSURE: 2264400 -301.161 118.167 101.428 160.417 183.523 281.85 41.8322 17.0648 161.564 PRESSAVG: 2264400 -2.5028 -38.2191 -11.3356 -38.2191 18.9454 14.6925 -11.3356 14.6926 -10.8269 GPRESSAVG: 2264400 -2.11838 -37.836 -10.9191 -35.4417 20.9517 14.6166 -11.884 15.5927 -13.6062 TIMING: 2264400 CPU: 7075.09, 0.0031836/step Wall: 7075.09, 0.0031836/step, 2.41918 hours remaining, 233.742188 MB of memory in use. ENERGY: 2264400 4018.1681 20394.6387 14510.9174 266.9583 -203461.4667 2645.6263 0.0000 0.0000 51861.4630 -109763.6949 298.0485 -161625.1580 -109395.8109 298.4238 -13.4705 14.6416 762905.9070 1.8719 1.7424 PRESSURE: 2264600 91.1812 53.5639 -61.9979 53.5627 -261.241 70.2477 -61.9977 70.2484 -398.853 GPRESSURE: 2264600 13.4766 -34.2767 -59.1293 66.4753 -121.925 -9.84303 -58.2738 5.78437 -369.971 PRESSAVG: 2264600 2.93611 38.5542 -21.7944 38.5542 4.84879 41.8534 -21.7944 41.8534 -3.00894 GPRESSAVG: 2264600 2.10424 39.4294 -23.4717 37.7035 5.06429 42.4298 -21.1098 41.2281 -1.82697 TIMING: 2264600 CPU: 7075.71, 0.00310893/step Wall: 7075.71, 0.00310893/step, 2.36227 hours remaining, 233.742188 MB of memory in use. ENERGY: 2264600 3964.8087 20473.5468 14477.3988 263.6896 -203604.0147 2690.3232 0.0000 0.0000 51993.1762 -109741.0715 298.8055 -161734.2477 -109384.1676 298.3285 -189.6377 -159.4732 761399.3294 1.5920 1.7805 PRESSURE: 2264800 -167.249 -173.347 -176.792 -173.347 137.575 -35.2935 -176.792 -35.2941 -202.204 GPRESSURE: 2264800 -91.6713 -86.1632 -232.321 -173.097 123.995 -0.929901 -155.575 -29.3094 -157.282 PRESSAVG: 2264800 -47.4556 9.63237 -17.156 9.63235 73.1437 22.0068 -17.156 22.0069 6.27765 GPRESSAVG: 2264800 -45.7901 9.30928 -18.5337 10.1924 72.7312 21.5321 -14.8488 20.4669 5.78632 TIMING: 2264800 CPU: 7076.33, 0.00311338/step Wall: 7076.33, 0.00311338/step, 2.36547 hours remaining, 233.742188 MB of memory in use. ENERGY: 2264800 4035.8146 20484.4322 14468.1691 255.3774 -203892.2869 2908.9983 0.0000 0.0000 52199.9315 -109539.5639 299.9937 -161739.4954 -109175.5306 298.7944 -77.2924 -41.6528 760846.1311 10.6553 10.9091 PRESSURE: 2265000 143.877 14.7341 -267.382 14.7341 144.858 29.701 -267.383 29.7024 -140.022 GPRESSURE: 2265000 219.384 -27.8449 -173.764 -56.0046 192.832 20.3209 -142.035 -52.893 -183.018 PRESSAVG: 2265000 -39.5691 -19.5114 -16.7537 -19.5113 75.1675 -12.2551 -16.7538 -12.255 -21.8148 GPRESSAVG: 2265000 -39.4477 -19.5406 -14.9723 -19.621 75.2173 -13.517 -17.7888 -10.7405 -21.8857 TIMING: 2265000 CPU: 7076.95, 0.0030981/step Wall: 7076.95, 0.0030981/step, 2.35369 hours remaining, 233.742188 MB of memory in use. ENERGY: 2265000 3975.4534 20481.7659 14486.8603 237.0352 -203567.8438 2584.7647 0.0000 0.0000 52257.9310 -109544.0333 300.3270 -161801.9643 -109180.6582 299.3824 49.5710 76.3993 760301.4426 4.5945 4.6279 PRESSURE: 2265200 -46.5594 -131.19 148.544 -131.19 -411.434 -26.0797 148.544 -26.0798 11.0018 GPRESSURE: 2265200 1.67829 -88.2952 1.17479 -133.971 -400.275 -44.3079 17.7006 45.4979 42.7309 PRESSAVG: 2265200 -11.2288 34.9392 -20.9761 34.9392 -16.4203 -4.13332 -20.9761 -4.13335 10.1559 GPRESSAVG: 2265200 -11.7492 33.15 -23.2107 35.2035 -16.4125 -3.96596 -22.9847 -4.21899 10.0884 TIMING: 2265200 CPU: 7077.58, 0.00311798/step Wall: 7077.58, 0.00311798/step, 2.36863 hours remaining, 233.742188 MB of memory in use. ENERGY: 2265200 4003.1871 20310.4117 14543.4620 242.6294 -203841.8303 2930.1446 0.0000 0.0000 52337.5694 -109474.4262 300.7847 -161811.9955 -109113.0490 298.9950 -148.9972 -118.6221 761304.0029 -5.8311 -6.0244 PRESSURE: 2265400 22.9682 -51.0939 -133.312 -51.0934 190.583 -70.375 -133.313 -70.3756 -290.56 GPRESSURE: 2265400 63.8353 -108.059 -41.8227 115.629 216.462 -153.697 -41.3578 7.7438 -268.688 PRESSAVG: 2265400 -35.984 0.182446 -37.0097 0.182453 2.19283 32.4783 -37.0097 32.4783 -6.88805 GPRESSAVG: 2265400 -35.9591 -0.101251 -36.3291 1.49917 1.64169 33.7063 -35.2045 32.6 -6.65795 TIMING: 2265400 CPU: 7078.2, 0.00310831/step Wall: 7078.2, 0.00310831/step, 2.36111 hours remaining, 233.742188 MB of memory in use. ENERGY: 2265400 3981.5237 20508.3397 14386.3528 249.6801 -203493.2402 2786.9832 0.0000 0.0000 52263.2983 -109317.0623 300.3579 -161580.3607 -108951.5610 299.2160 -25.6695 3.8699 762072.6468 -13.5597 -13.6585 PRESSURE: 2265600 -130.494 66.7043 131.305 66.7054 520.58 62.9657 131.304 62.9654 562.705 GPRESSURE: 2265600 50.6911 123.087 156.603 180.472 499.078 42.5576 101.458 175.922 463.863 PRESSAVG: 2265600 -56.6409 -14.1905 -28.5533 -14.1905 14.0812 5.08793 -28.5533 5.08793 -0.6396 GPRESSAVG: 2265600 -55.8368 -11.3618 -28.9158 -16.2784 14.0659 2.88629 -29.9471 7.04673 -1.17268 TIMING: 2265600 CPU: 7078.82, 0.00312214/step Wall: 7078.82, 0.00312214/step, 2.37144 hours remaining, 233.742188 MB of memory in use. ENERGY: 2265600 3998.5810 20474.9915 14387.6462 247.8020 -203702.6309 3188.6904 0.0000 0.0000 52041.7384 -109363.1814 299.0846 -161404.9198 -108995.8311 298.9312 317.5972 337.8774 762738.9532 -14.3998 -14.3145 PRESSURE: 2265800 -253.464 93.7659 21.4781 93.7654 28.8561 114.726 21.4781 114.726 -249.323 GPRESSURE: 2265800 -179.872 114.752 -33.2281 3.81955 19.0157 136.44 27.7028 183.629 -228.878 PRESSAVG: 2265800 -19.3808 -18.222 -45.3131 -18.2219 38.8489 30.4232 -45.3132 30.4232 -5.14027 GPRESSAVG: 2265800 -19.4592 -18.7853 -43.4334 -17.2469 39.1185 31.9558 -43.7704 30.1574 -5.82054 TIMING: 2265800 CPU: 7079.44, 0.00309883/step Wall: 7079.44, 0.00309883/step, 2.35356 hours remaining, 233.742188 MB of memory in use. ENERGY: 2265800 3978.8440 20637.5878 14458.2527 253.1891 -203492.1474 2629.3173 0.0000 0.0000 52201.9343 -109333.0221 300.0052 -161534.9565 -108972.1567 299.4229 -157.9768 -129.9113 763088.1048 4.7759 4.6129 PRESSURE: 2266000 -257.322 -41.4458 -80.9445 -41.4456 10.0779 -43.5239 -80.9453 -43.5244 -131.356 GPRESSURE: 2266000 -171.885 -11.3496 -63.9336 33.7902 -18.9341 -114.219 12.347 115.002 -99.9481 PRESSAVG: 2266000 -26.7662 -2.23511 15.2721 -2.23516 11.8263 47.2188 15.272 47.2189 -18.0496 GPRESSAVG: 2266000 -26.9863 -0.977974 14.9617 -2.50528 11.1464 47.1353 15.0096 45.4174 -17.1679 TIMING: 2266000 CPU: 7080.06, 0.00309525/step Wall: 7080.06, 0.00309525/step, 2.35067 hours remaining, 233.742188 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: 2266000 3987.2852 20611.5975 14501.3404 238.2697 -203802.1453 3015.5645 0.0000 0.0000 52178.6785 -109269.4096 299.8716 -161448.0880 -108915.1524 299.6880 -126.1999 -96.9224 761515.3795 -10.9965 -11.0026 PRESSURE: 2266200 -388.404 92.9186 69.2516 92.9189 -44.4263 -44.5778 69.2517 -44.5777 145.283 GPRESSURE: 2266200 -299.206 12.0044 40.8543 27.7219 27.6363 -46.9116 109.426 45.8176 76.3407 PRESSAVG: 2266200 -18.025 33.91 2.4443 33.9099 24.5052 15.4521 2.4443 15.452 -6.86304 GPRESSAVG: 2266200 -16.6579 32.5993 1.50909 33.6831 24.1878 15.7428 2.06024 15.153 -7.53168 TIMING: 2266200 CPU: 7080.68, 0.00310614/step Wall: 7080.68, 0.00310614/step, 2.35877 hours remaining, 233.742188 MB of memory in use. ENERGY: 2266200 4030.6779 20623.7787 14402.3508 245.9914 -203513.0187 2815.8436 0.0000 0.0000 52010.4668 -109383.9095 298.9049 -161394.3763 -109023.0377 299.5148 -95.8492 -65.0763 763238.6632 -0.1276 -0.0006 PRESSURE: 2266400 207.722 100.429 -25.658 100.428 90.3218 -67.1023 -25.6573 -67.1016 -367.089 GPRESSURE: 2266400 185.704 118.065 5.34589 29.4391 167.071 -1.37877 110.028 -83.1965 -314.286 PRESSAVG: 2266400 29.9403 -40.4801 11.4863 -40.4801 -4.23475 3.53654 11.4862 3.53656 -23.6314 GPRESSAVG: 2266400 28.4204 -39.639 10.4365 -41.9659 -3.25989 2.31016 12.0225 4.59525 -21.8626 TIMING: 2266400 CPU: 7081.31, 0.00311025/step Wall: 7081.31, 0.00311025/step, 2.36172 hours remaining, 233.742188 MB of memory in use. ENERGY: 2266400 4030.7208 20402.5434 14416.0111 232.7023 -203576.3009 2778.6223 0.0000 0.0000 52215.8084 -109499.8926 300.0850 -161715.7010 -109131.5404 299.2881 -23.0150 12.8296 762767.1898 0.6914 1.0993 PRESSURE: 2266600 363.292 269.006 -45.7833 269.006 244.341 -219.762 -45.7835 -219.762 293.572 GPRESSURE: 2266600 340.831 278.946 -29.1526 190.325 310.592 -109.225 -81.5653 -100.023 353.258 PRESSAVG: 2266600 36.59 21.2401 -32.3862 21.24 -43.6739 -9.23131 -32.3863 -9.23126 -3.93154 GPRESSAVG: 2266600 37.2349 21.5239 -28.0633 23.506 -43.8622 -8.45255 -34.448 -7.76621 -4.32182 TIMING: 2266600 CPU: 7081.93, 0.00310949/step Wall: 7081.93, 0.00310949/step, 2.36097 hours remaining, 233.742188 MB of memory in use. ENERGY: 2266600 3993.6131 20365.3746 14461.4215 243.7580 -203868.1946 3144.2413 0.0000 0.0000 52366.5128 -109293.2732 300.9511 -161659.7860 -108926.4938 299.7448 300.4014 334.8936 760980.4664 -3.6718 -3.6497 PRESSURE: 2266800 -405.544 -33.6883 -214.445 -33.6892 116.892 253.622 -214.446 253.622 -78.7157 GPRESSURE: 2266800 -302.896 -111.497 -228.26 -137.319 176.704 150.049 -79.7287 251.336 -169.476 PRESSAVG: 2266800 -42.3773 4.43305 -65.6663 4.43309 1.02079 -12.406 -65.6663 -12.406 13.2029 GPRESSAVG: 2266800 -42.1487 4.08371 -68.3028 2.42969 0.701507 -12.0917 -65.0177 -14.2319 13.1208 TIMING: 2266800 CPU: 7082.55, 0.00312388/step Wall: 7082.55, 0.00312388/step, 2.37172 hours remaining, 233.742188 MB of memory in use. ENERGY: 2266800 4020.7194 20523.6505 14468.9131 243.6089 -202987.1864 2556.1623 0.0000 0.0000 52083.5675 -109090.5646 299.3250 -161174.1320 -108724.3461 299.9643 -122.4561 -98.5558 763930.6915 -9.3845 -9.4421 PRESSURE: 2267000 123.695 49.7456 321.325 49.7453 -24.3544 -76.9583 321.325 -76.9582 109.348 GPRESSURE: 2267000 142.625 123.877 233.291 -10.2479 12.008 -46.4756 230.198 -114.469 139.078 PRESSAVG: 2267000 -5.21088 -18.5675 11.0584 -18.5676 45.3593 27.0948 11.0584 27.0947 -8.40188 GPRESSAVG: 2267000 -4.5004 -19.9067 11.5668 -18.325 46.1519 27.1677 12.0589 26.5084 -9.12773 TIMING: 2267000 CPU: 7083.18, 0.00312975/step Wall: 7083.18, 0.00312975/step, 2.376 hours remaining, 233.742188 MB of memory in use. ENERGY: 2267000 4042.4649 20423.5301 14507.9546 258.3884 -203551.5111 2965.1511 0.0000 0.0000 52212.1608 -109141.8614 300.0640 -161354.0221 -108776.0124 299.9411 69.5629 97.9036 761418.7124 10.5822 10.8413 PRESSURE: 2267200 -273.204 -218.18 -126.182 -218.18 -255.699 -301.613 -126.183 -301.613 107.64 GPRESSURE: 2267200 -262.792 -103.618 -164.374 -133.248 -266.606 -324.281 -81.4888 -225.813 174.999 PRESSAVG: 2267200 -15.2681 54.4387 -66.5563 54.4387 3.05669 -10.9576 -66.5563 -10.9576 -17.5788 GPRESSAVG: 2267200 -14.1305 55.662 -68.3232 57.2768 2.35305 -10.4839 -67.6459 -11.4766 -17.8629 TIMING: 2267200 CPU: 7083.8, 0.00311766/step Wall: 7083.8, 0.00311766/step, 2.36665 hours remaining, 233.742188 MB of memory in use. ENERGY: 2267200 4197.0436 20613.0790 14495.6456 241.7426 -203482.4549 2739.7561 0.0000 0.0000 51907.3000 -109287.8880 298.3120 -161195.1880 -108925.0558 299.3771 -140.4208 -118.1330 763314.8427 -9.9301 -9.8801 PRESSURE: 2267400 -361.931 -2.20744 -241.093 -2.20789 -106.258 -201.563 -241.093 -201.562 -236.139 GPRESSURE: 2267400 -299.018 -32.1541 -270.341 -138.515 -106.461 -209.137 -194.888 -134.133 -229.932 PRESSAVG: 2267400 -13.9592 17.3393 -59.1481 17.3393 29.4511 3.76863 -59.1481 3.76866 -4.5636 GPRESSAVG: 2267400 -14.5581 16.3399 -58.7167 14.8104 30.3498 2.29688 -58.4593 6.80552 -5.23716 TIMING: 2267400 CPU: 7084.42, 0.00310094/step Wall: 7084.42, 0.00310094/step, 2.35378 hours remaining, 233.742188 MB of memory in use. ENERGY: 2267400 3946.9418 20588.8539 14456.2100 252.1947 -203395.1581 2712.2862 0.0000 0.0000 51979.6644 -109459.0071 298.7278 -161438.6715 -109101.4747 299.1512 -234.7759 -211.8039 763576.0307 3.6428 3.5182 PRESSURE: 2267600 -284.894 -108.134 149.19 -108.134 32.7449 -24.7118 149.191 -24.7118 78.1577 GPRESSURE: 2267600 -172.696 21.9369 159.688 -13.9046 38.162 -43.2646 156.875 66.6296 38.1961 PRESSAVG: 2267600 -90.2701 -71.2228 -74.1462 -71.2228 73.0994 0.176459 -74.1462 0.17642 -8.47046 GPRESSAVG: 2267600 -91.4033 -68.9912 -73.5564 -71.8047 73.1372 1.41016 -72.3922 -0.273839 -7.69789 TIMING: 2267600 CPU: 7085.04, 0.00310697/step Wall: 7085.04, 0.00310697/step, 2.35819 hours remaining, 233.742188 MB of memory in use. ENERGY: 2267600 3968.8865 20572.6450 14481.3430 246.3638 -203078.7505 2478.5736 0.0000 0.0000 52076.3470 -109254.5916 299.2835 -161330.9386 -108887.4857 298.8605 -57.9970 -32.1126 762605.5550 -8.5470 -8.6547 PRESSURE: 2267800 -237.466 -121.725 -124.209 -121.725 -85.8839 82.4967 -124.211 82.4969 129.722 GPRESSURE: 2267800 -182.6 -13.3877 -96.6671 71.6621 -74.086 68.8163 -206.057 -42.2981 128.115 PRESSAVG: 2267800 -96.4415 43.5688 6.42875 43.5688 78.1166 -42.0328 6.42876 -42.0328 -6.13377 GPRESSAVG: 2267800 -95.0212 41.1928 8.03592 46.5506 77.2676 -41.2325 4.54398 -43.273 -6.39379 TIMING: 2267800 CPU: 7085.67, 0.00312347/step Wall: 7085.67, 0.00312347/step, 2.37054 hours remaining, 233.742188 MB of memory in use. ENERGY: 2267800 3985.5567 20631.9407 14482.5018 241.0762 -203674.1629 2992.3470 0.0000 0.0000 52154.6434 -109186.0971 299.7335 -161340.7405 -108833.0746 299.6421 -64.5426 -42.8571 762754.7263 -8.1529 -8.0491 PRESSURE: 2268000 160.54 -30.5352 -59.5968 -30.5349 44.1658 214.901 -59.5976 214.901 -107.153 GPRESSURE: 2268000 141.197 15.1514 -156.107 -31.7108 115.994 179.304 -46.387 236.691 -73.4524 PRESSAVG: 2268000 -97.0221 34.8917 -11.8683 34.8917 63.5899 9.43274 -11.8684 9.43276 20.9468 GPRESSAVG: 2268000 -97.9835 34.365 -13.7619 33.614 64.2817 9.71244 -12.8328 9.7948 21.1362 TIMING: 2268000 CPU: 7086.3, 0.0031386/step Wall: 7086.3, 0.0031386/step, 2.38185 hours remaining, 233.742188 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: 2268000 3965.9681 20455.4117 14477.7510 249.7621 -203186.3567 2704.6542 0.0000 0.0000 52002.8766 -109329.9329 298.8612 -161332.8096 -108960.7644 299.2817 32.5177 61.2461 762696.0458 -4.1618 -4.1885 PRESSURE: 2268200 -396.844 64.4824 23.4747 64.4812 -322.849 266.409 23.4746 266.408 144.065 GPRESSURE: 2268200 -276.804 -4.89506 34.2386 -51.8251 -268.464 245.12 56.6596 222.543 58.1652 PRESSAVG: 2268200 -110.58 -14.0266 16.7014 -14.0266 58.913 -23.1492 16.7014 -23.1492 9.25224 GPRESSAVG: 2268200 -110.318 -14.8585 17.0573 -13.7928 58.3504 -23.5865 19.4597 -22.8769 9.35993 TIMING: 2268200 CPU: 7086.92, 0.00311845/step Wall: 7086.92, 0.00311845/step, 2.36638 hours remaining, 233.742188 MB of memory in use. ENERGY: 2268200 4031.6420 20455.8060 14497.9738 251.7191 -203241.6709 2526.9133 0.0000 0.0000 52213.9026 -109263.7142 300.0740 -161477.6168 -108896.2464 299.4016 -191.8762 -162.3675 764376.4480 -14.1382 -14.2024 LDB: ============= START OF LOAD BALANCING ============== 7099.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7099.4 LDB: =============== DONE WITH MIGRATION ================ 7099.4 LDB: ============= START OF LOAD BALANCING ============== 7099.71 LDB: Largest compute 7068 load 0.030577 is 15.7% of average load 0.195176 LDB: Average compute 0.004403 is 2.3% of average load 0.195176 LDB: TIME 7099.72 LOAD: AVG 0.195176 MAX 0.216109 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.742 MB LDB: TIME 7099.72 LOAD: AVG 0.195176 MAX 0.216109 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.742 MB LDB: TIME 7099.72 LOAD: AVG 0.195176 MAX 0.216109 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.742 MB LDB: ============== END OF LOAD BALANCING =============== 7099.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7099.72 PRESSURE: 2268400 -0.412148 -90.7533 6.40578 -90.7542 -16.1774 -166.624 6.40573 -166.625 -239.37 GPRESSURE: 2268400 51.1865 -94.3252 101.769 47.9932 -12.7739 -122.259 -100.547 -145.76 -197.764 PRESSAVG: 2268400 -21.6591 10.5459 29.4744 10.5459 -18.4602 7.73323 29.4744 7.73327 -0.426605 GPRESSAVG: 2268400 -22.1492 12.1307 30.6704 11.2868 -17.8763 7.29963 25.9974 8.64232 -0.537713 TIMING: 2268400 CPU: 7087.56, 0.00319268/step Wall: 7087.56, 0.00319268/step, 2.42254 hours remaining, 235.023438 MB of memory in use. ENERGY: 2268400 3985.4194 20682.6249 14462.7472 226.1792 -203233.1449 2655.3899 0.0000 0.0000 51999.5607 -109221.2235 298.8422 -161220.7842 -108869.1437 299.0005 -85.3197 -53.1173 763285.5179 -13.5153 -13.5211 PRESSURE: 2268600 383.03 -101.783 -69.4431 -101.784 196.541 23.0892 -69.4432 23.0898 -207.289 GPRESSURE: 2268600 538.368 -30.0711 -85.6422 32.5289 116.53 55.2304 -29.1384 106.874 -209.236 PRESSAVG: 2268600 -3.03637 -27.7261 19.3947 -27.726 64.3441 -17.2748 19.3947 -17.2748 51.6729 GPRESSAVG: 2268600 -1.2097 -29.3604 17.8434 -26.7215 63.0543 -17.8043 20.9774 -18.8404 50.6832 TIMING: 2268600 CPU: 7088.18, 0.00312023/step Wall: 7088.18, 0.00312023/step, 2.36739 hours remaining, 235.226562 MB of memory in use. ENERGY: 2268600 3957.8417 20678.4260 14548.6243 247.1466 -203779.1373 2965.8639 0.0000 0.0000 52086.2608 -109294.9741 299.3405 -161381.2349 -108931.4555 299.7414 124.0941 148.5541 762197.1762 37.6602 37.5093 PRESSURE: 2268800 -139.353 -18.1575 33.4116 -18.1585 -264.306 -53.4528 33.4117 -53.4532 204.438 GPRESSURE: 2268800 -111.466 -26.5601 -27.2308 -141.253 -257.726 -61.6115 67.5216 -4.22724 245.518 PRESSAVG: 2268800 -4.62265 -23.5828 38.7495 -23.5828 11.2308 -17.1755 38.7495 -17.1755 -7.08647 GPRESSAVG: 2268800 -5.90291 -21.6759 38.0987 -26.1655 12.4978 -17.3351 38.0364 -13.6751 -6.99647 TIMING: 2268800 CPU: 7088.8, 0.00310426/step Wall: 7088.8, 0.00310426/step, 2.3551 hours remaining, 235.226562 MB of memory in use. ENERGY: 2268800 4048.7027 20705.9815 14486.8465 262.4551 -203319.5486 2662.5321 0.0000 0.0000 52163.5894 -108989.4414 299.7849 -161153.0307 -108633.7337 299.8289 -66.4073 -41.2244 763642.8473 -0.1594 -0.1338 PRESSURE: 2269000 83.7121 -66.9644 36.287 -66.9638 -185.314 -169.182 36.2862 -169.182 93.4554 GPRESSURE: 2269000 78.9686 -26.7978 25.8886 -38.3423 -78.356 -191.968 107.599 -269.558 56.9955 PRESSAVG: 2269000 -25.7834 -7.60877 41.4201 -7.6087 -11.6178 10.8389 41.4201 10.8389 26.6297 GPRESSAVG: 2269000 -26.3287 -6.99551 42.2707 -8.99393 -11.6015 11.6707 41.5193 8.07571 27.2729 TIMING: 2269000 CPU: 7089.42, 0.00309456/step Wall: 7089.42, 0.00309456/step, 2.34757 hours remaining, 235.226562 MB of memory in use. ENERGY: 2269000 4031.4287 20502.0632 14504.8963 264.4628 -203476.0017 2760.4500 0.0000 0.0000 52232.8475 -109179.8532 300.1829 -161412.7007 -108809.6855 299.9715 -2.7156 19.2027 761657.6785 -3.5905 -3.5524 PRESSURE: 2269200 -198.849 186.773 -275.225 186.773 -88.4394 32.8888 -275.223 32.8889 222.052 GPRESSURE: 2269200 -152.454 191.044 -333.415 82.0388 -17.0045 68.8442 -250.723 89.3012 175.359 PRESSAVG: 2269200 -7.60025 13.6565 -34.0898 13.6565 24.6425 -20.1651 -34.0898 -20.165 -22.2544 GPRESSAVG: 2269200 -6.1311 12.9743 -33.2684 14.9044 23.6857 -21.3461 -33.1259 -19.754 -22.3756 TIMING: 2269200 CPU: 7090.04, 0.00309045/step Wall: 7090.04, 0.00309045/step, 2.34428 hours remaining, 235.226562 MB of memory in use. ENERGY: 2269200 4013.0214 20740.7921 14485.8014 274.9686 -203575.0443 2757.4779 0.0000 0.0000 52031.8721 -109271.1109 299.0279 -161302.9830 -108908.7431 299.8506 -21.7453 1.9669 763552.6722 -1.7374 -1.6070 PRESSURE: 2269400 93.3039 -0.187464 75.1784 -0.188012 -282.173 -152.495 75.1788 -152.495 -237.251 GPRESSURE: 2269400 94.602 -79.4972 85.1507 31.1994 -195.383 -147.732 -34.3392 -87.0596 -253.565 PRESSAVG: 2269400 -54.1915 -12.6366 -30.4709 -12.6366 9.66819 54.0767 -30.471 54.0766 9.696 GPRESSAVG: 2269400 -54.6729 -11.8284 -30.5894 -11.3253 9.53642 54.3064 -32.3081 54.3869 9.52275 TIMING: 2269400 CPU: 7090.66, 0.00309035/step Wall: 7090.66, 0.00309035/step, 2.34403 hours remaining, 235.226562 MB of memory in use. ENERGY: 2269400 3999.3216 20690.3716 14406.5120 233.0628 -203577.5505 2647.7286 0.0000 0.0000 52275.6914 -109324.8623 300.4291 -161600.5537 -108953.9641 299.3313 -142.0401 -118.1155 762552.9727 -11.6091 -11.8712 PRESSURE: 2269600 -293.743 -37.6652 -177.661 -37.6657 -320.96 -105.267 -177.66 -105.268 29.7281 GPRESSURE: 2269600 -248.848 127.817 -68.034 55.5163 -271.698 -115.885 -199.613 75.2127 3.8547 PRESSAVG: 2269600 -30.5359 24.3407 -11.7075 24.3407 35.5713 -16.1448 -11.7076 -16.1448 -0.69892 GPRESSAVG: 2269600 -31.3628 24.9624 -11.5745 24.1375 36.6846 -16.7436 -12.7633 -14.7118 -0.914039 TIMING: 2269600 CPU: 7091.28, 0.00311235/step Wall: 7091.28, 0.00311235/step, 2.36055 hours remaining, 235.226562 MB of memory in use. ENERGY: 2269600 4056.9443 20464.7548 14492.4122 250.4886 -203426.8940 2643.0568 0.0000 0.0000 52174.1962 -109345.0412 299.8458 -161519.2374 -108976.2796 299.4440 -194.9915 -172.2303 762499.8445 1.4455 1.4692 PRESSURE: 2269800 107.331 9.37847 -7.50337 9.37907 179.371 -290.586 -7.5032 -290.586 286.355 GPRESSURE: 2269800 183.261 18.34 62.3819 79.5205 166.982 -266.348 20.0424 -167.518 303.143 PRESSAVG: 2269800 -32.296 46.1254 -11.2974 46.1254 22.1457 2.51661 -11.2974 2.51665 -10.1794 GPRESSAVG: 2269800 -31.9238 44.1416 -12.004 47.3963 20.6774 4.87149 -7.95854 0.069278 -8.86942 TIMING: 2269800 CPU: 7091.9, 0.00310932/step Wall: 7091.9, 0.00310932/step, 2.35807 hours remaining, 235.226562 MB of memory in use. ENERGY: 2269800 4021.3609 20574.8096 14546.7490 277.5395 -203168.4812 2776.4970 0.0000 0.0000 51867.3560 -109104.1692 298.0824 -160971.5252 -108729.6309 299.2646 191.0190 217.7953 763626.6359 -6.7766 -6.7053 PRESSURE: 2270000 57.1409 -28.5533 15.8012 -28.5537 13.0196 152.699 15.8015 152.7 173.285 GPRESSURE: 2270000 144.115 25.3544 -23.7033 -25.4051 18.6942 110.205 42.4066 251.076 178.862 PRESSAVG: 2270000 -17.7676 19.766 -8.74366 19.766 39.2784 -32.9487 -8.74364 -32.9489 -22.8667 GPRESSAVG: 2270000 -17.93 20.1396 -8.8258 18.1545 39.4286 -33.1768 -7.90905 -33.3483 -22.4111 TIMING: 2270000 CPU: 7092.52, 0.00311225/step Wall: 7092.52, 0.00311225/step, 2.36012 hours remaining, 235.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2270000 4035.9079 20504.4617 14485.0851 256.8381 -203132.7752 2695.2865 0.0000 0.0000 51993.7025 -109161.4935 298.8085 -161155.1960 -108796.9852 299.2988 81.1485 113.8905 761434.9672 -0.4520 -0.3042 PRESSURE: 2270200 156.093 -7.64948 -21.5862 -7.64887 -247.105 29.7255 -21.5863 29.7246 -127.4 GPRESSURE: 2270200 105.376 76.5064 6.84216 16.805 -127.092 -25.803 -3.95316 -8.67284 -95.8102 PRESSAVG: 2270200 -20.3247 -40.0217 10.6226 -40.0217 28.859 -46.0518 10.6226 -46.0518 30.0447 GPRESSAVG: 2270200 -20.9717 -39.732 11.7255 -39.7691 31.6282 -45.4879 9.48453 -46.2793 28.0103 TIMING: 2270200 CPU: 7093.15, 0.00310566/step Wall: 7093.15, 0.00310566/step, 2.35495 hours remaining, 235.226562 MB of memory in use. ENERGY: 2270200 3995.5106 20635.2912 14472.1246 254.4860 -203292.2506 2817.2034 0.0000 0.0000 51963.1500 -109154.4847 298.6329 -161117.6348 -108785.7658 299.5405 -72.8041 -39.1753 763555.3802 12.8596 12.8889 PRESSURE: 2270400 79.3849 -135.597 59.7545 -135.598 187.567 136.635 59.7541 136.635 -5.46204 GPRESSURE: 2270400 174.007 -234.183 -15.4449 -131.688 139.761 20.7369 -36.6777 109.741 27.5158 PRESSAVG: 2270400 20.4107 24.4641 -37.0457 24.4641 -12.5786 12.433 -37.0457 12.4329 -22.3645 GPRESSAVG: 2270400 20.5407 26.0049 -38.2912 24.7624 -13.2232 12.1183 -36.1286 14.4055 -21.6526 TIMING: 2270400 CPU: 7093.77, 0.0030987/step Wall: 7093.77, 0.0030987/step, 2.34951 hours remaining, 235.226562 MB of memory in use. ENERGY: 2270400 4042.5921 20581.3223 14446.6810 262.2704 -203426.2628 2820.5813 0.0000 0.0000 51923.0131 -109349.8026 298.4023 -161272.8156 -108989.6847 299.4008 87.1634 113.7612 760570.6452 -4.8441 -4.7784 PRESSURE: 2270600 148.576 173.44 -115.518 173.439 79.9498 -48.6522 -115.518 -48.6519 80.9116 GPRESSURE: 2270600 83.7771 204.549 -43.3326 189.674 217.945 -102.221 -120.243 -107.489 103.117 PRESSAVG: 2270600 -17.3486 37.4055 -34.6774 37.4055 -45.0674 19.3305 -34.6774 19.3304 33.346 GPRESSAVG: 2270600 -17.0807 37.2783 -32.9671 38.662 -45.2456 19.6255 -37.4712 18.3138 33.3229 TIMING: 2270600 CPU: 7094.38, 0.00309586/step Wall: 7094.38, 0.00309586/step, 2.34718 hours remaining, 235.226562 MB of memory in use. ENERGY: 2270600 3992.8106 20443.7286 14464.1750 253.5535 -203494.7798 2730.3432 0.0000 0.0000 52146.2095 -109463.9593 299.6850 -161610.1688 -109100.2758 298.9128 103.1457 134.9465 762208.1374 -9.6900 -9.6678 PRESSURE: 2270800 -326.435 99.7261 -84.5212 99.726 -56.7195 -101.846 -84.5208 -101.845 31.5947 GPRESSURE: 2270800 -290.96 55.078 -85.2309 -46.0011 -68.6397 -112.955 -116.168 -122.45 75.4327 PRESSAVG: 2270800 -40.9193 3.23293 -33.2931 3.23299 -2.18034 24.8797 -33.2931 24.8798 -5.23356 GPRESSAVG: 2270800 -40.2872 2.93765 -35.753 1.36819 -2.95229 23.4388 -32.5589 25.3844 -5.12835 TIMING: 2270800 CPU: 7095.01, 0.00310464/step Wall: 7095.01, 0.00310464/step, 2.35366 hours remaining, 235.226562 MB of memory in use. ENERGY: 2270800 3984.5979 20660.1570 14454.1189 242.2448 -203192.0151 2551.7212 0.0000 0.0000 51786.6114 -109512.5638 297.6184 -161299.1752 -109157.3377 298.7138 -117.1867 -94.7222 763737.9425 -16.1111 -16.1226 PRESSURE: 2271000 -169.734 -303.813 -243.128 -303.813 56.131 -143.02 -243.128 -143.021 109.937 GPRESSURE: 2271000 -124.464 -308.338 -248.912 -286.479 133.563 -22.68 -123.13 -212.853 80.805 PRESSAVG: 2271000 -29.5977 18.1195 52.6563 18.1194 39.2454 -14.7984 52.6563 -14.7984 -1.90834 GPRESSAVG: 2271000 -29.6382 18.3725 54.5152 18.9904 39.7179 -15.2233 55.4383 -13.7427 -2.35617 TIMING: 2271000 CPU: 7095.63, 0.0031045/step Wall: 7095.63, 0.0031045/step, 2.35338 hours remaining, 235.226562 MB of memory in use. ENERGY: 2271000 4095.1376 20490.4920 14411.7561 230.1428 -203470.1571 2806.4402 0.0000 0.0000 51958.8248 -109477.3636 298.6081 -161436.1884 -109120.9459 298.8316 -1.2217 29.9681 761831.4278 2.5798 2.5745 PRESSURE: 2271200 297.953 -2.4399 -76.4997 -2.44082 133.99 -16.8235 -76.5001 -16.8241 -193.104 GPRESSURE: 2271200 464.711 -37.3725 -112.107 22.8078 34.4149 -2.63314 136.895 -72.5343 -184.171 PRESSAVG: 2271200 31.5405 -7.78249 -17.1983 -7.78247 -0.0447295 36.1908 -17.1983 36.1909 -27.0558 GPRESSAVG: 2271200 31.1861 -8.64421 -16.3913 -6.69986 -0.377177 38.1682 -19.069 34.648 -26.3671 TIMING: 2271200 CPU: 7096.25, 0.00309902/step Wall: 7096.25, 0.00309902/step, 2.34906 hours remaining, 235.226562 MB of memory in use. ENERGY: 2271200 3998.9644 20494.6173 14328.6544 238.0083 -203827.9786 3166.4019 0.0000 0.0000 52163.5725 -109437.7598 299.7848 -161601.3322 -109071.2381 298.8684 79.6128 104.9852 761719.7287 1.4800 1.4806 PRESSURE: 2271400 -176.468 9.62143 145.405 9.62048 -138.187 275.097 145.404 275.097 -384.101 GPRESSURE: 2271400 -178.605 -58.8412 112.126 64.3956 -76.4224 280.493 17.4787 185.269 -350.585 PRESSAVG: 2271400 17.9705 21.6558 -52.9185 21.6558 -25.3809 3.85025 -52.9185 3.85021 23.3496 GPRESSAVG: 2271400 17.8972 21.0285 -54.5904 21.553 -24.467 2.49981 -52.295 4.20414 23.1142 TIMING: 2271400 CPU: 7096.87, 0.00310625/step Wall: 7096.87, 0.00310625/step, 2.35436 hours remaining, 235.226562 MB of memory in use. ENERGY: 2271400 4011.7135 20487.7539 14544.1674 271.0374 -203234.3925 2827.1369 0.0000 0.0000 51744.1274 -109348.4560 297.3742 -161092.5835 -108995.5660 298.9803 -232.9189 -201.8711 763523.3381 5.3131 5.5148 PRESSURE: 2271600 -189.872 -0.433049 21.9314 -0.434392 -166.25 23.9716 21.9309 23.9715 193.565 GPRESSURE: 2271600 -202.549 41.9192 -43.3218 22.3979 -128.066 14.3692 -77.9989 78.264 263.537 PRESSAVG: 2271600 -36.0876 -13.6775 -4.50963 -13.6774 48.1866 -2.514 -4.5096 -2.51396 7.80968 GPRESSAVG: 2271600 -35.8632 -13.5067 -4.19223 -12.3354 47.9556 -2.82377 -5.34563 -1.23582 7.93056 TIMING: 2271600 CPU: 7097.49, 0.00310981/step Wall: 7097.49, 0.00310981/step, 2.35689 hours remaining, 235.226562 MB of memory in use. ENERGY: 2271600 3926.9060 20456.3564 14534.9265 259.2081 -203071.5970 2683.3517 0.0000 0.0000 52021.0262 -109189.8221 298.9656 -161210.8482 -108823.1607 299.3407 -54.1857 -22.3593 762439.0993 6.6362 6.6743 PRESSURE: 2271800 -228.23 -227.857 -379.285 -227.857 140.06 46.4516 -379.285 46.4514 -72.5328 GPRESSURE: 2271800 -224.811 -224.183 -455.3 -144.648 225.538 120.761 -247.974 6.07123 -97.8988 PRESSAVG: 2271800 -3.29601 -16.4995 16.5516 -16.4996 -7.53459 -3.1645 16.5516 -3.16441 37.4594 GPRESSAVG: 2271800 -3.14221 -16.316 18.0365 -18.7799 -8.17296 -1.58272 15.9587 -3.03323 37.6841 TIMING: 2271800 CPU: 7098.11, 0.00309446/step Wall: 7098.11, 0.00309446/step, 2.34509 hours remaining, 235.226562 MB of memory in use. ENERGY: 2271800 3975.9972 20531.4007 14445.5511 251.2613 -203465.3049 2883.5274 0.0000 0.0000 52250.9186 -109126.6486 300.2867 -161377.5672 -108764.1566 299.5799 -53.5677 -32.3905 761881.6964 8.8763 8.7896 PRESSURE: 2272000 -236.403 24.4471 -179.568 24.4464 -196.121 -239.533 -179.569 -239.533 -59.7827 GPRESSURE: 2272000 -189.732 14.4736 -233.774 -2.19112 -147.765 -254.507 -131.028 -90.6811 -54.0937 PRESSAVG: 2272000 -11.1327 31.439 12.8736 31.4389 -1.35961 -12.601 12.8735 -12.601 -16.0708 GPRESSAVG: 2272000 -11.7349 31.3137 13.7902 31.9545 -0.858215 -12.5398 12.7464 -14.6656 -15.9691 TIMING: 2272000 CPU: 7098.73, 0.003102/step Wall: 7098.73, 0.003102/step, 2.35063 hours remaining, 235.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2272000 4016.7764 20537.5659 14352.1010 251.9063 -203256.7624 2831.4482 0.0000 0.0000 51972.1703 -109294.7943 298.6848 -161266.9647 -108942.1621 299.8389 -164.1022 -130.5305 764915.8531 -9.5210 -9.5207 PRESSURE: 2272200 104.599 71.4621 63.6328 71.4627 -138.172 106.02 63.6327 106.02 62.6723 GPRESSURE: 2272200 178.347 190.528 199.227 149.556 -85.6371 167.925 -11.2616 60.766 27.0261 PRESSAVG: 2272200 33.8605 -34.1028 13.3344 -34.1028 -62.7602 -22.4378 13.3344 -22.4377 -12.4888 GPRESSAVG: 2272200 34.2701 -34.6702 11.0899 -34.9624 -63.0847 -22.0617 15.3337 -21.262 -13.2191 TIMING: 2272200 CPU: 7099.35, 0.00310367/step Wall: 7099.35, 0.00310367/step, 2.35172 hours remaining, 235.226562 MB of memory in use. ENERGY: 2272200 3920.7521 20433.1209 14397.1208 255.2796 -203474.3329 2927.3418 0.0000 0.0000 52176.6901 -109364.0275 299.8602 -161540.7176 -108993.0303 298.7748 9.6997 39.9119 762384.8424 -13.7962 -14.0112 LDB: ============= START OF LOAD BALANCING ============== 7111.82 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7111.83 LDB: =============== DONE WITH MIGRATION ================ 7111.83 LDB: ============= START OF LOAD BALANCING ============== 7112.14 LDB: Largest compute 7069 load 0.031567 is 16.2% of average load 0.195179 LDB: Average compute 0.004400 is 2.3% of average load 0.195179 LDB: TIME 7112.14 LOAD: AVG 0.195179 MAX 0.217431 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.582 MB LDB: TIME 7112.14 LOAD: AVG 0.195179 MAX 0.217431 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.582 MB LDB: TIME 7112.14 LOAD: AVG 0.195179 MAX 0.217431 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.582 MB LDB: ============== END OF LOAD BALANCING =============== 7112.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7112.15 PRESSURE: 2272400 -246.366 121.492 -72.9826 121.491 -162.322 -231.035 -72.9827 -231.035 -206.91 GPRESSURE: 2272400 -271.614 132.917 -110.772 188.097 -113.023 -253.087 -74.6765 -150.06 -160.514 PRESSAVG: 2272400 19.7493 -22.4505 -7.16085 -22.4505 -35.4131 14.0156 -7.1608 14.0155 13.1176 GPRESSAVG: 2272400 19.8275 -22.3226 -6.44925 -19.8119 -35.5545 11.9702 -9.18106 14.659 13.2932 TIMING: 2272400 CPU: 7099.98, 0.00317198/step Wall: 7099.98, 0.00317198/step, 2.4033 hours remaining, 233.230469 MB of memory in use. ENERGY: 2272400 3961.4716 20519.2665 14420.8377 253.0251 -203255.2744 2589.6561 0.0000 0.0000 52243.0815 -109267.9358 300.2417 -161511.0173 -108894.2025 298.8246 -205.1995 -181.7172 764558.1053 -0.8487 -0.8113 PRESSURE: 2272600 100.872 -263.004 -25.4923 -263.004 14.2465 17.4656 -25.4929 17.4661 243.49 GPRESSURE: 2272600 37.4797 -185.549 -80.2528 -124.408 94.7753 151.016 87.6687 -102.246 299.743 PRESSAVG: 2272600 8.03759 -48.3964 3.30566 -48.3965 -40.2719 -28.7397 3.30561 -28.7397 9.88003 GPRESSAVG: 2272600 7.35777 -48.5528 2.11402 -50.6301 -40.3661 -27.1558 7.44645 -30.5606 10.4998 TIMING: 2272600 CPU: 7100.6, 0.00309086/step Wall: 7100.6, 0.00309086/step, 2.34167 hours remaining, 233.230469 MB of memory in use. ENERGY: 2272600 3985.9712 20389.0847 14478.7316 236.5574 -203432.2307 2945.3507 0.0000 0.0000 52170.0838 -109226.4512 299.8222 -161396.5350 -108858.1221 298.9489 119.5362 143.9994 763325.9329 -7.4514 -7.5028 PRESSURE: 2272800 -292.307 97.1969 -45.2829 97.1962 -29.0701 -99.6427 -45.2837 -99.6423 -166.984 GPRESSURE: 2272800 -348.098 156.983 -58.6298 143.365 128.09 -176.552 -37.0397 56.5788 -175.816 PRESSAVG: 2272800 -15.5201 10.6684 -23.8086 10.6684 48.3306 -54.4559 -23.8087 -54.456 0.499267 GPRESSAVG: 2272800 -15.524 11.4321 -23.7123 11.3461 50.3755 -55.194 -27.4049 -54.5154 -0.931103 TIMING: 2272800 CPU: 7101.22, 0.003088/step Wall: 7101.22, 0.003088/step, 2.33933 hours remaining, 233.230469 MB of memory in use. ENERGY: 2272800 3993.2960 20511.7206 14458.0257 246.4704 -203158.9427 2783.3277 0.0000 0.0000 51899.2572 -109266.8451 298.2657 -161166.1023 -108911.5845 299.5028 -162.7869 -131.9413 763900.2747 11.1033 11.3068 PRESSURE: 2273000 172.303 248.878 -18.0045 248.878 -33.3381 -181.861 -18.0038 -181.861 -150.323 GPRESSURE: 2273000 218.7 235.364 -7.91506 303.375 -61.5291 -55.1772 -154.222 -176.772 -84.077 PRESSAVG: 2273000 31.9472 50.222 -18.8706 50.2219 -4.89741 -47.776 -18.8705 -47.7761 17.7243 GPRESSAVG: 2273000 33.725 50.1357 -16.6618 51.4687 -7.77367 -45.9292 -18.8328 -47.4578 18.5822 TIMING: 2273000 CPU: 7101.84, 0.00310858/step Wall: 7101.84, 0.00310859/step, 2.35475 hours remaining, 233.230469 MB of memory in use. ENERGY: 2273000 4056.3608 20298.1672 14468.2754 234.7372 -203500.9682 2969.3184 0.0000 0.0000 51950.4964 -109523.6127 298.5602 -161474.1091 -109160.8788 299.2459 -3.7860 24.3646 762987.6482 14.9247 14.8445 PRESSURE: 2273200 -151.831 18.0658 -47.1978 18.0665 -12.6756 -17.9731 -47.1978 -17.9722 -144.228 GPRESSURE: 2273200 -135.161 -3.57009 -56.1859 47.1571 -71.3063 41.8919 56.9906 -37.569 -12.4428 PRESSAVG: 2273200 11.5014 8.73048 -43.4533 8.7305 -19.4253 -32.7649 -43.4533 -32.7649 -6.42097 GPRESSAVG: 2273200 11.267 10.656 -44.5425 7.64429 -19.0958 -34.1562 -43.538 -31.2853 -6.79567 TIMING: 2273200 CPU: 7102.47, 0.00312221/step Wall: 7102.47, 0.00312221/step, 2.3649 hours remaining, 233.230469 MB of memory in use. ENERGY: 2273200 4013.1650 20525.0966 14424.2974 232.4580 -203663.2682 2874.4709 0.0000 0.0000 51832.3157 -109761.4646 297.8810 -161593.7803 -109408.3598 298.6574 -102.9116 -72.9701 763372.6824 -4.7816 -4.8748 PRESSURE: 2273400 94.1761 132.021 70.1465 132.021 -217.397 -2.68951 70.1474 -2.68947 482.819 GPRESSURE: 2273400 91.8331 159.085 47.2085 159.161 -151.884 -40.9914 45.9459 67.1714 504.945 PRESSAVG: 2273400 10.4875 36.9761 -30.4511 36.9761 1.77457 16.6495 -30.4511 16.6494 0.456207 GPRESSAVG: 2273400 9.73093 35.5261 -30.6091 37.3483 2.18719 16.4838 -28.0499 16.877 1.13663 TIMING: 2273400 CPU: 7103.09, 0.00310606/step Wall: 7103.09, 0.00310606/step, 2.3525 hours remaining, 233.230469 MB of memory in use. ENERGY: 2273400 3920.6311 20500.9744 14435.7849 244.2052 -203660.5517 2924.1767 0.0000 0.0000 51875.7781 -109759.0013 298.1308 -161634.7794 -109402.5099 297.8138 119.8658 148.2981 763093.6883 4.2394 4.3516 PRESSURE: 2273600 28.7171 5.2475 167.319 5.24779 -292.915 -269.15 167.319 -269.149 -436.204 GPRESSURE: 2273600 -51.0975 31.1459 87.1895 -49.8182 -183.082 -232.752 184.306 -366.714 -388.292 PRESSAVG: 2273600 -10.6756 -29.0213 -47.9237 -29.0213 31.087 -5.03782 -47.9236 -5.0378 20.9252 GPRESSAVG: 2273600 -8.6619 -28.5504 -47.7764 -29.5792 30.4589 -5.1807 -47.2424 -6.2644 19.7422 TIMING: 2273600 CPU: 7103.71, 0.00312174/step Wall: 7103.71, 0.00312174/step, 2.36419 hours remaining, 233.230469 MB of memory in use. ENERGY: 2273600 4039.2595 20450.0754 14444.7153 233.6321 -203273.2856 2639.6890 0.0000 0.0000 51859.2105 -109606.7038 298.0356 -161465.9144 -109251.9243 298.5730 -233.4675 -207.4908 763373.1639 13.7788 13.8464 PRESSURE: 2273800 141.337 -138.825 34.604 -138.825 -112.021 -44.6426 34.6042 -44.6426 13.9063 GPRESSURE: 2273800 110.824 -100.829 2.29951 -120.063 -48.5322 -15.4624 46.6682 -99.6557 70.2224 PRESSAVG: 2273800 -15.6927 8.90546 3.67447 8.90548 18.7312 7.43416 3.6745 7.43413 -26.9606 GPRESSAVG: 2273800 -17.7546 9.51447 2.89646 9.29901 20.0183 8.23554 2.12474 8.08126 -26.4743 TIMING: 2273800 CPU: 7104.34, 0.00312701/step Wall: 7104.34, 0.00312701/step, 2.36802 hours remaining, 233.230469 MB of memory in use. ENERGY: 2273800 4026.6552 20532.5105 14489.7201 263.4527 -203425.0260 2802.2865 0.0000 0.0000 51688.0100 -109622.3909 297.0517 -161310.4010 -109263.6963 298.4785 14.4073 44.1715 760713.4571 -7.9740 -8.0702 PRESSURE: 2274000 -292.278 -343.078 282.149 -343.078 -86.0752 45.2413 282.15 45.2409 279.827 GPRESSURE: 2274000 -158.966 -239.491 274.452 -289.106 -104.713 61.4062 367.988 42.0097 231.145 PRESSAVG: 2274000 -56.9691 0.106402 27.3463 0.106421 6.07376 -0.510766 27.3463 -0.510778 4.22544 GPRESSAVG: 2274000 -56.9708 -1.5232 27.2258 2.06841 5.21319 -1.2318 28.6521 -3.28645 4.82355 TIMING: 2274000 CPU: 7104.96, 0.00312777/step Wall: 7104.96, 0.00312777/step, 2.36842 hours remaining, 233.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2274000 3993.1922 20573.9435 14421.1751 250.4418 -203307.9392 2684.4157 0.0000 0.0000 51631.1417 -109753.6292 296.7249 -161384.7709 -109402.4164 298.0665 -32.8420 -10.8448 762586.3039 -15.5566 -15.6447 PRESSURE: 2274200 -20.1331 100.052 -33.7262 100.052 -12.428 -182.728 -33.7266 -182.728 136.967 GPRESSURE: 2274200 58.3897 11.6354 -93.3705 -29.5032 26.7462 -156.093 -71.6628 -165.041 89.2351 PRESSAVG: 2274200 -21.9163 50.1847 18.8276 50.1847 6.52624 8.86047 18.8276 8.86048 -12.0885 GPRESSAVG: 2274200 -22.3764 52.0471 17.9746 47.4729 6.94576 10.8189 16.2918 10.8479 -12.0285 TIMING: 2274200 CPU: 7105.59, 0.00311923/step Wall: 7105.59, 0.00311923/step, 2.36178 hours remaining, 233.230469 MB of memory in use. ENERGY: 2274200 4008.9896 20506.5972 14373.5191 265.9922 -203290.9449 2585.8388 0.0000 0.0000 51904.5556 -109645.4523 298.2962 -161550.0079 -109283.1618 298.1173 34.8019 58.1236 762112.1093 -9.1595 -9.1530 PRESSURE: 2274400 -111.269 155.865 53.9338 155.864 -83.179 -178.72 53.9345 -178.72 38.8081 GPRESSURE: 2274400 -77.2777 104.906 65.2169 143.93 -71.9297 -155.641 64.2769 -165.766 59.5738 PRESSAVG: 2274400 -10.989 69.0025 -13.7571 69.0025 -33.1003 -23.5296 -13.7572 -23.5297 -3.4685 GPRESSAVG: 2274400 -10.7247 66.8234 -12.5701 72.3922 -33.2627 -24.6577 -13.0704 -24.7318 -3.80227 TIMING: 2274400 CPU: 7106.21, 0.00310425/step Wall: 7106.21, 0.00310425/step, 2.35026 hours remaining, 233.230469 MB of memory in use. ENERGY: 2274400 4018.8658 20554.7615 14396.6871 265.4958 -203530.1595 2609.3165 0.0000 0.0000 52074.1003 -109610.9325 299.2706 -161685.0328 -109251.1615 298.2206 -51.8798 -29.8779 761804.7028 -15.8526 -15.9299 PRESSURE: 2274600 -54.1825 -225.818 -323.11 -225.818 -120.878 -174.761 -323.11 -174.76 -58.1181 GPRESSURE: 2274600 -84.1319 -299.362 -260.154 -151.167 -57.3175 -231.201 -343.34 -148.637 -25.3716 PRESSAVG: 2274600 33.6636 36.322 -64.7111 36.322 -32.2269 17.0803 -64.7111 17.0803 18.0232 GPRESSAVG: 2274600 33.0115 37.389 -63.783 35.2275 -31.5141 17.3978 -63.5115 18.5373 18.4227 TIMING: 2274600 CPU: 7106.83, 0.00310588/step Wall: 7106.83, 0.00310588/step, 2.35132 hours remaining, 233.230469 MB of memory in use. ENERGY: 2274600 3995.1482 20476.1046 14380.3290 244.7501 -203414.5425 2867.2631 0.0000 0.0000 51806.6751 -109644.2724 297.7337 -161450.9475 -109295.2793 298.1118 -77.7262 -55.6070 761647.5886 6.4866 6.6400 PRESSURE: 2274800 -126.531 0.392421 -249.977 0.392167 8.2982 -147.08 -249.976 -147.079 12.1006 GPRESSURE: 2274800 -53.2362 39.9537 -146.595 -43.5999 -45.1921 -42.4263 -214.739 -50.1593 70.1115 PRESSAVG: 2274800 -32.6656 -3.58041 -71.9238 -3.58047 32.2082 14.9376 -71.9238 14.9376 6.14756 GPRESSAVG: 2274800 -31.8778 -2.87271 -73.3827 -5.20371 32.4674 13.4451 -72.5166 13.6116 5.37926 TIMING: 2274800 CPU: 7107.45, 0.00311543/step Wall: 7107.45, 0.00311543/step, 2.35838 hours remaining, 233.230469 MB of memory in use. ENERGY: 2274800 4029.9032 20366.5372 14492.5036 252.3114 -203681.1327 2861.1115 0.0000 0.0000 52091.9027 -109586.8630 299.3729 -161678.7657 -109224.3427 298.9233 -35.3774 -9.4389 761358.8794 1.8967 1.9896 PRESSURE: 2275000 -324.571 -2.3491 74.6998 -2.34909 -80.8067 -58.6418 74.6997 -58.6423 -154.393 GPRESSURE: 2275000 -243.712 22.6584 79.9327 54.9155 -25.4316 -72.6054 49.2741 -84.1872 -203.614 PRESSAVG: 2275000 -14.1148 -18.3436 -49.9098 -18.3435 0.568234 -5.03073 -49.9098 -5.03071 -1.8612 GPRESSAVG: 2275000 -14.0063 -18.0763 -50.3575 -17.8489 0.389454 -5.01945 -52.4568 -4.85542 -1.34618 TIMING: 2275000 CPU: 7108.07, 0.00310728/step Wall: 7108.07, 0.00310728/step, 2.35204 hours remaining, 233.230469 MB of memory in use. ENERGY: 2275000 4026.7099 20601.1117 14512.2589 239.8127 -203504.6740 2580.0299 0.0000 0.0000 52004.8910 -109539.8600 298.8728 -161544.7510 -109177.8858 298.6969 -186.5901 -157.5858 763400.6145 -5.1359 -4.9877 PRESSURE: 2275200 -157.939 -345.139 -133.887 -345.138 -65.8705 43.2463 -133.887 43.2465 -178.39 GPRESSURE: 2275200 -118.379 -250.356 -83.3169 -310.12 -79.4492 62.5367 -285.3 85.1836 -133.265 PRESSAVG: 2275200 -29.563 -29.0117 -72.02 -29.0117 19.3242 -95.9782 -72.0201 -95.9783 -12.7674 GPRESSAVG: 2275200 -28.6938 -28.0949 -70.5067 -29.285 18.044 -94.5085 -70.5863 -95.4074 -11.9349 TIMING: 2275200 CPU: 7108.69, 0.00310807/step Wall: 7108.69, 0.00310807/step, 2.35246 hours remaining, 233.230469 MB of memory in use. ENERGY: 2275200 4055.2900 20479.3731 14459.3280 242.3329 -203681.9170 2833.5157 0.0000 0.0000 51983.8452 -109628.2321 298.7519 -161612.0773 -109277.0045 298.7051 -134.0663 -110.3644 763889.2774 -7.6687 -7.5282 PRESSURE: 2275400 -312.535 38.5258 -165.562 38.5262 -113.456 41.3516 -165.561 41.3522 -47.0956 GPRESSURE: 2275400 -273.019 -45.5588 -91.427 92.5016 -40.4712 9.12281 -58.4879 -27.6084 -78.1191 PRESSAVG: 2275400 7.84451 -8.72631 28.0938 -8.72632 -8.93192 -63.512 28.0938 -63.512 6.59469 GPRESSAVG: 2275400 7.72356 -8.36089 26.254 -9.64483 -8.74982 -64.9166 29.4148 -62.8419 6.00646 TIMING: 2275400 CPU: 7109.31, 0.0031006/step Wall: 7109.31, 0.0031006/step, 2.34663 hours remaining, 233.230469 MB of memory in use. ENERGY: 2275400 4138.9836 20345.9275 14529.3240 254.4542 -203638.2995 2798.3351 0.0000 0.0000 52148.1295 -109423.1455 299.6960 -161571.2751 -109057.2332 298.9206 -157.6954 -130.5363 763804.0356 1.8358 1.6601 PRESSURE: 2275600 -371.944 -51.9108 178.123 -51.9107 178.195 32.4245 178.123 32.4235 -125.589 GPRESSURE: 2275600 -295.937 21.1566 248.837 -114.892 129.058 74.286 -61.9909 -48.587 -71.1285 PRESSAVG: 2275600 -36.1472 15.5119 -18.8886 15.5119 61.8298 -51.2678 -18.8887 -51.2679 5.71492 GPRESSAVG: 2275600 -36.0136 12.8781 -18.3399 15.719 61.3933 -50.0638 -18.93 -51.6947 6.17144 TIMING: 2275600 CPU: 7109.94, 0.00310808/step Wall: 7109.94, 0.00310808/step, 2.35212 hours remaining, 233.230469 MB of memory in use. ENERGY: 2275600 3968.3831 20296.5895 14563.8166 235.7659 -203387.8064 2900.2591 0.0000 0.0000 52088.2150 -109334.7773 299.3517 -161422.9922 -108961.2493 298.7290 -106.4457 -79.3361 764169.3352 10.4659 10.5171 PRESSURE: 2275800 -122.232 -121.522 -55.2026 -121.523 339.677 74.5029 -55.2023 74.5026 116.133 GPRESSURE: 2275800 -20.0846 -148.605 -22.1791 -146.641 209.886 158.746 -3.29886 -51.3456 233.898 PRESSAVG: 2275800 -35.3907 -32.2683 -3.35871 -32.2683 58.2791 28.8862 -3.35873 28.8861 -11.4998 GPRESSAVG: 2275800 -35.8623 -32.4113 -4.01098 -31.1296 58.9811 29.1902 -2.99649 27.3 -12.2718 TIMING: 2275800 CPU: 7110.56, 0.00310303/step Wall: 7110.56, 0.00310303/step, 2.34813 hours remaining, 233.230469 MB of memory in use. ENERGY: 2275800 3992.3895 20536.6237 14566.5495 234.5541 -203452.3260 2748.2236 0.0000 0.0000 51884.8987 -109489.0868 298.1832 -161373.9856 -109124.9245 298.9368 111.1926 141.2329 762607.8332 3.7962 3.6157 PRESSURE: 2276000 -32.5993 235.627 140.345 235.627 189.605 136.29 140.346 136.29 85.055 GPRESSURE: 2276000 -3.04272 175.886 151.185 87.3243 256.383 140.344 170.101 215.42 61.4062 PRESSAVG: 2276000 -4.26803 -3.01983 23.2977 -3.01978 -18.0389 33.7622 23.2977 33.7623 -3.55281 GPRESSAVG: 2276000 -4.61714 -1.31628 24.2745 -4.26556 -18.8215 33.071 23.4997 34.5492 -2.49503 TIMING: 2276000 CPU: 7111.18, 0.00310014/step Wall: 7111.18, 0.00310014/step, 2.34578 hours remaining, 233.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2276000 3981.7622 20466.9863 14461.0571 237.6984 -203343.4002 2907.6261 0.0000 0.0000 52080.8318 -109207.4383 299.3093 -161288.2701 -108852.3226 299.2848 80.6868 104.9154 763530.0169 -8.6199 -8.6446 PRESSURE: 2276200 -508.323 51.781 -150.343 51.7815 -150.784 -48.2279 -150.344 -48.2288 -373.922 GPRESSURE: 2276200 -458.804 12.5314 -180.24 32.3316 -126.731 -6.3453 -152.41 -164.008 -373.823 PRESSAVG: 2276200 -38.3709 21.2849 15.8777 21.2849 -6.62005 58.4616 15.8777 58.4616 7.0761 GPRESSAVG: 2276200 -38.5719 19.0663 16.5293 21.8879 -6.54217 58.7453 15.1397 57.9664 6.23624 TIMING: 2276200 CPU: 7111.8, 0.00310576/step Wall: 7111.8, 0.00310576/step, 2.34985 hours remaining, 233.230469 MB of memory in use. ENERGY: 2276200 4074.8097 20580.8900 14485.7125 244.2574 -203396.4356 2728.3765 0.0000 0.0000 52308.7838 -108973.6057 300.6193 -161282.3895 -108606.7040 299.4855 -344.3432 -319.7859 764269.9370 -12.6383 -12.9593 LDB: ============= START OF LOAD BALANCING ============== 7124.27 LDB: ============== END OF LOAD BALANCING =============== 7124.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7124.28 LDB: ============= START OF LOAD BALANCING ============== 7124.59 LDB: Largest compute 7069 load 0.030528 is 15.6% of average load 0.195220 LDB: Average compute 0.004376 is 2.2% of average load 0.195220 LDB: TIME 7124.59 LOAD: AVG 0.19522 MAX 0.215396 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.766 MB LDB: TIME 7124.59 LOAD: AVG 0.19522 MAX 0.215396 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.766 MB LDB: TIME 7124.59 LOAD: AVG 0.19522 MAX 0.215396 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.766 MB LDB: ============== END OF LOAD BALANCING =============== 7124.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7124.6 PRESSURE: 2276400 83.3661 166.618 97.8811 166.618 -18.6543 -10.1525 97.8804 -10.1523 163.237 GPRESSURE: 2276400 143.365 90.6257 115.657 120.863 -53.7048 3.70098 63.5997 66.1895 216.382 PRESSAVG: 2276400 -78.1143 31.4142 -4.58738 31.4141 69.0026 30.1591 -4.58741 30.1591 -5.10634 GPRESSAVG: 2276400 -78.3021 31.9256 -5.60706 30.3549 69.2412 29.7124 -6.79319 31.6051 -5.77263 TIMING: 2276400 CPU: 7112.43, 0.00316346/step Wall: 7112.43, 0.00316346/step, 2.39334 hours remaining, 235.535156 MB of memory in use. ENERGY: 2276400 3987.7445 20603.3998 14422.8838 249.2917 -203447.2368 2952.4373 0.0000 0.0000 52058.8468 -109172.6329 299.1829 -161231.4797 -108807.1919 300.1883 75.9828 102.0139 764913.5611 -4.7394 -4.9445 PRESSURE: 2276600 55.9613 245.891 -269.51 245.891 91.5112 74.8883 -269.51 74.89 119.495 GPRESSURE: 2276600 173.664 275.855 -279.236 263.727 35.1678 120.274 -305.427 3.81499 129.401 PRESSAVG: 2276600 -18.0468 62.7438 -62.1472 62.7439 2.33258 5.53205 -62.1472 5.53208 -2.31807 GPRESSAVG: 2276600 -17.8887 62.6145 -62.7337 64.4903 0.695147 7.31308 -58.9179 3.06455 -1.4046 TIMING: 2276600 CPU: 7113.05, 0.00310942/step Wall: 7113.05, 0.00310942/step, 2.35228 hours remaining, 235.734375 MB of memory in use. ENERGY: 2276600 4005.1741 20737.3959 14410.8096 269.3906 -203455.7965 3000.5439 0.0000 0.0000 51972.3100 -109060.1724 298.6856 -161032.4824 -108697.0600 299.1753 88.9892 112.7442 764785.8141 -6.0108 -6.1994 PRESSURE: 2276800 -275.258 24.0021 44.7329 24.0021 -393.661 -127.503 44.7328 -127.503 23.4942 GPRESSURE: 2276800 -107.677 1.79621 38.9429 119.695 -416.53 -177.928 -27.9328 37.8495 -54.6312 PRESSAVG: 2276800 21.7829 -20.2809 -3.68952 -20.2808 5.19644 -16.0433 -3.68955 -16.0433 13.6318 GPRESSAVG: 2276800 21.9928 -21.6065 -2.57641 -19.6351 6.08762 -19.0662 -3.93392 -13.9114 12.3606 TIMING: 2276800 CPU: 7113.68, 0.00311461/step Wall: 7113.68, 0.00311461/step, 2.35603 hours remaining, 235.734375 MB of memory in use. ENERGY: 2276800 4055.3892 20571.8210 14415.6307 232.3826 -203218.2300 2770.8621 0.0000 0.0000 52194.7779 -108977.3664 299.9641 -161172.1444 -108618.2765 299.9766 -215.1415 -192.9461 766853.4536 13.5370 13.4803 PRESSURE: 2277000 -272.446 59.3489 -125.091 59.3483 126.132 -7.12432 -125.09 -7.12312 63.7219 GPRESSURE: 2277000 -236.785 134.301 -109.299 -14.3893 198.08 -94.8294 -20.1775 -123.084 62.0488 PRESSAVG: 2277000 30.5507 9.85253 -47.0953 9.85254 -25.4897 41.1881 -47.0953 41.188 -14.5936 GPRESSAVG: 2277000 30.1613 11.2325 -47.1021 8.51137 -25.87 42.3472 -47.207 41.6653 -13.3387 TIMING: 2277000 CPU: 7114.3, 0.0031054/step Wall: 7114.3, 0.0031054/step, 2.34889 hours remaining, 235.734375 MB of memory in use. ENERGY: 2277000 3926.8950 20251.0790 14428.8750 282.2482 -203292.8227 2867.3453 0.0000 0.0000 52343.2750 -109193.1051 300.8175 -161536.3802 -108819.5789 299.6267 -27.5307 7.7812 763685.6476 -3.1775 -3.0158 PRESSURE: 2277200 282.003 -51.9167 205.31 -51.9163 117.393 -270.122 205.31 -270.123 192.64 GPRESSURE: 2277200 279.537 -50.6551 181.85 -10.1222 218.806 -338.317 122.834 -175.282 162.433 PRESSAVG: 2277200 33.4947 -54.1298 10.5738 -54.1298 -61.9678 -16.8257 10.5738 -16.8257 15.4738 GPRESSAVG: 2277200 32.9372 -53.8864 10.9668 -54.1249 -60.5112 -15.9529 10.2386 -16.6572 14.9276 TIMING: 2277200 CPU: 7114.92, 0.00311473/step Wall: 7114.92, 0.00311473/step, 2.35578 hours remaining, 235.734375 MB of memory in use. ENERGY: 2277200 3922.1226 20443.9956 14460.1537 247.7739 -203297.9536 2954.4328 0.0000 0.0000 52213.1954 -109056.2795 300.0700 -161269.4749 -108687.1991 299.4310 197.3454 220.2586 765613.3063 -4.3331 -4.2155 PRESSURE: 2277400 270.938 36.9292 -150.792 36.9298 261.125 -16.4965 -150.792 -16.4967 45.4346 GPRESSURE: 2277400 220.504 115.01 -23.5262 -23.7767 299.504 -11.4253 -221.122 -150.472 121.394 PRESSAVG: 2277400 12.677 9.88138 -54.5918 9.88136 -18.3356 -18.7966 -54.5918 -18.7966 -9.61451 GPRESSAVG: 2277400 13.1756 9.78897 -55.7877 9.82627 -20.5739 -19.681 -53.7065 -19.199 -7.71054 TIMING: 2277400 CPU: 7115.54, 0.00311906/step Wall: 7115.54, 0.00311906/step, 2.35888 hours remaining, 235.734375 MB of memory in use. ENERGY: 2277400 3961.4470 20267.3251 14413.2259 230.5257 -202868.3127 2712.3371 0.0000 0.0000 52386.1608 -108897.2910 301.0640 -161283.4518 -108530.1776 299.7675 192.4994 213.8008 764963.1744 -5.0910 -5.0363 PRESSURE: 2277600 -65.7251 -88.125 -129.706 -88.124 23.0288 -137.021 -129.707 -137.021 -54.5745 GPRESSURE: 2277600 -23.4794 -110.426 13.1027 -170.378 94.762 -136.6 -137.471 -24.3343 -65.5756 PRESSAVG: 2277600 34.2417 -11.4887 74.6197 -11.4888 33.5011 32.1295 74.6196 32.1295 -10.8981 GPRESSAVG: 2277600 33.6878 -11.8049 75.6689 -11.9535 34.848 32.5022 72.4142 33.2001 -11.5519 TIMING: 2277600 CPU: 7116.17, 0.00312605/step Wall: 7116.17, 0.00312605/step, 2.36399 hours remaining, 235.734375 MB of memory in use. ENERGY: 2277600 3928.5397 20369.1149 14473.4138 252.9907 -202983.7452 2754.6425 0.0000 0.0000 52269.7193 -108935.3244 300.3948 -161205.0437 -108567.1265 299.2570 -32.4236 1.9023 765277.7956 18.9482 18.9947 PRESSURE: 2277800 32.8627 -36.6933 -17.3696 -36.6934 -121.83 30.4451 -17.3695 30.4454 -66.9779 GPRESSURE: 2277800 -37.9311 179.687 -49.5055 -86.7052 -24.107 94.5562 24.9218 -93.2147 -14.5841 PRESSAVG: 2277800 -10.5135 -3.77776 52.6578 -3.77779 2.71636 2.52362 52.6579 2.52367 17.5202 GPRESSAVG: 2277800 -9.99105 -0.89145 52.3648 -6.32609 3.54648 1.91662 54.1884 0.987869 16.5602 TIMING: 2277800 CPU: 7116.79, 0.00311342/step Wall: 7116.79, 0.00311342/step, 2.35426 hours remaining, 235.734375 MB of memory in use. ENERGY: 2277800 3900.8840 20515.6049 14367.4207 251.3251 -202915.9629 2792.5753 0.0000 0.0000 52244.9282 -108843.2247 300.2523 -161088.1529 -108479.6772 299.4482 -51.9816 -25.5407 764323.5982 3.2410 3.3719 PRESSURE: 2278000 360.484 -81.1204 121.996 -81.1203 98.7516 -30.9804 121.996 -30.9814 98.58 GPRESSURE: 2278000 325.089 -142.744 132.64 -71.9562 128.885 -94.3615 192.673 -79.2649 196.525 PRESSAVG: 2278000 -24.7044 -2.76996 33.8817 -2.76995 -31.0757 20.5843 33.8817 20.5843 -18.4941 GPRESSAVG: 2278000 -23.2923 -4.01903 33.031 -1.08398 -31.9847 21.7191 34.2334 20.3048 -19.0292 TIMING: 2278000 CPU: 7117.42, 0.00312734/step Wall: 7117.42, 0.00312734/step, 2.36462 hours remaining, 235.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2278000 3933.9682 20478.5635 14419.6397 239.5367 -203073.9212 2944.3532 0.0000 0.0000 52134.3521 -108923.5078 299.6168 -161057.8600 -108571.0676 299.8438 185.9387 216.8330 764076.9169 -24.7581 -24.7687 PRESSURE: 2278200 -49.5735 271.95 -32.1448 271.951 222.258 98.3991 -32.1454 98.3986 168.535 GPRESSURE: 2278200 -22.2635 208.176 -108.387 298.001 293.525 150.976 26.2493 22.3074 149.869 PRESSAVG: 2278200 -49.8468 13.4025 0.60432 13.4025 59.5055 -37.1515 0.604308 -37.1515 15.7932 GPRESSAVG: 2278200 -49.4457 13.2945 0.19487 13.6149 60.568 -38.8779 0.886695 -35.2547 14.367 TIMING: 2278200 CPU: 7118.04, 0.00313245/step Wall: 7118.04, 0.00313245/step, 2.36831 hours remaining, 235.734375 MB of memory in use. ENERGY: 2278200 3952.2802 20404.6872 14399.3998 252.7746 -203093.8662 2935.2096 0.0000 0.0000 52087.5641 -109061.9507 299.3479 -161149.5147 -108702.0650 299.4441 113.7397 140.3767 764235.0010 8.4840 8.4964 PRESSURE: 2278400 -119.038 -21.1507 -327.225 -21.151 -188.34 148.529 -327.225 148.53 371.812 GPRESSURE: 2278400 -117.452 37.6895 -349.408 -84.0245 -130.972 66.0535 -277.986 101.692 355.679 PRESSAVG: 2278400 -17.4096 -63.2152 -48.1585 -63.2151 11.2175 35.8575 -48.1585 35.8574 5.53213 GPRESSAVG: 2278400 -19.276 -63.7935 -47.6134 -62.6296 11.8141 37.791 -46.4893 32.0653 7.19616 TIMING: 2278400 CPU: 7118.67, 0.00312642/step Wall: 7118.67, 0.00312642/step, 2.36357 hours remaining, 235.734375 MB of memory in use. ENERGY: 2278400 3930.1933 20357.4483 14346.5038 239.5866 -203113.2428 2786.8886 0.0000 0.0000 52248.8920 -109203.7301 300.2751 -161452.6222 -108823.0850 298.9295 21.4783 35.7517 764593.6137 -0.2200 -0.0886 PRESSURE: 2278600 -82.5789 -19.428 12.4445 -19.4286 210.062 -223.323 12.4439 -223.323 -349.147 GPRESSURE: 2278600 -49.5827 22.9713 20.8846 -143.134 171.779 -214.301 30.9677 -65.3947 -261.126 PRESSAVG: 2278600 -72.6228 -15.8918 -31.2848 -15.8918 49.1107 31.2166 -31.2847 31.2166 14.014 GPRESSAVG: 2278600 -72.0972 -15.8146 -31.1276 -15.482 48.1127 31.1568 -33.3744 34.497 14.28 TIMING: 2278600 CPU: 7119.3, 0.00315846/step Wall: 7119.3, 0.00315846/step, 2.38762 hours remaining, 235.734375 MB of memory in use. ENERGY: 2278600 3925.8615 20371.4539 14411.6796 240.7533 -203076.7062 2771.0522 0.0000 0.0000 51896.7989 -109459.1069 298.2516 -161355.9058 -109090.4911 298.5834 -73.8879 -46.3101 762626.6036 -3.1660 -3.2348 PRESSURE: 2278800 42.1631 -13.2818 -70.5003 -13.2822 -112.218 53.6305 -70.4998 53.6308 165.175 GPRESSURE: 2278800 32.1746 -66.0048 -41.8265 42.3608 -119.503 79.5514 -123.868 93.1444 273.871 PRESSAVG: 2278800 1.37372 -56.5364 10.4841 -56.5364 37.119 -3.74556 10.4841 -3.74552 3.94336 GPRESSAVG: 2278800 1.99358 -55.1444 9.82816 -58.6275 36.7022 -5.79256 9.80507 -3.22103 3.1697 TIMING: 2278800 CPU: 7119.92, 0.00311941/step Wall: 7119.92, 0.00311941/step, 2.35793 hours remaining, 235.734375 MB of memory in use. ENERGY: 2278800 3961.1130 20324.8396 14365.0131 245.3755 -203306.3818 2913.0253 0.0000 0.0000 52060.9954 -109436.0200 299.1953 -161497.0154 -109074.5255 298.6571 31.7066 62.1811 763564.2658 14.1454 13.9552 PRESSURE: 2279000 -208.271 -123.851 -74.9102 -123.851 -52.3088 -174.46 -74.9103 -174.46 -403.786 GPRESSURE: 2279000 -223.923 -76.0538 -22.5699 -185.585 6.00508 -135.1 -166.916 -156.169 -339.445 PRESSAVG: 2279000 6.42804 -13.4225 -11.7342 -13.4225 91.8179 -7.47876 -11.7342 -7.47876 5.77681 GPRESSAVG: 2279000 6.35404 -14.1938 -10.8523 -12.5163 91.5176 -6.33158 -10.1909 -7.47979 6.41164 TIMING: 2279000 CPU: 7120.55, 0.00311923/step Wall: 7120.55, 0.00311923/step, 2.35762 hours remaining, 235.734375 MB of memory in use. ENERGY: 2279000 3927.1836 20353.2626 14363.1302 252.6290 -203035.5217 2668.4515 0.0000 0.0000 52119.2178 -109351.6470 299.5299 -161470.8648 -108988.4790 299.2468 -221.4554 -185.7878 763604.5807 34.6742 34.7611 PRESSURE: 2279200 -87.0426 263.12 256.068 263.12 -270.202 -106.515 256.069 -106.515 195.417 GPRESSURE: 2279200 -88.2455 294.633 266.865 235.475 -167.421 -189.507 151.395 -28.7917 167.025 PRESSAVG: 2279200 -74.1477 10.0809 -14.6327 10.0809 40.9498 20.0328 -14.6328 20.0327 -2.88607 GPRESSAVG: 2279200 -75.3049 10.449 -14.2253 11.1482 41.7014 18.2497 -14.4657 19.5627 -2.49323 TIMING: 2279200 CPU: 7121.17, 0.00311126/step Wall: 7121.17, 0.00311127/step, 2.35143 hours remaining, 235.734375 MB of memory in use. ENERGY: 2279200 3994.8002 20507.7562 14361.9172 215.1978 -202848.0487 2435.6875 0.0000 0.0000 51998.9100 -109333.7798 298.8385 -161332.6898 -108968.0918 298.3749 -53.9425 -29.5471 762240.7918 -12.0280 -12.0323 PRESSURE: 2279400 36.2229 267.125 -165.018 267.125 25.0313 -267.383 -165.018 -267.383 189.328 GPRESSURE: 2279400 52.3547 229.218 -216.146 154.482 145.155 -176.023 -187.404 -310.377 134.699 PRESSAVG: 2279400 -10.1473 38.5903 17.2061 38.5903 56.7666 12.1821 17.2062 12.182 19.4881 GPRESSAVG: 2279400 -9.82084 38.7875 16.9253 37.4813 57.0345 13.1426 17.2039 11.8063 18.9436 TIMING: 2279400 CPU: 7121.79, 0.00311277/step Wall: 7121.79, 0.00311277/step, 2.35239 hours remaining, 235.734375 MB of memory in use. ENERGY: 2279400 3977.1488 20284.6529 14378.2902 267.1958 -203432.6330 2989.3510 0.0000 0.0000 52046.8660 -109489.1283 299.1141 -161535.9943 -109121.6494 298.8692 83.5274 110.7362 762263.7677 22.0358 22.0524 PRESSURE: 2279600 462.556 96.9959 -87.9621 96.9959 255.108 -76.0241 -87.9605 -76.0245 -227.192 GPRESSURE: 2279600 375.237 79.2883 -154.113 33.2388 371.794 -6.64235 -39.2225 -109.207 -199.666 PRESSAVG: 2279600 -55.4479 1.67272 21.5202 1.67273 56.5972 -28.3897 21.5202 -28.3897 12.1728 GPRESSAVG: 2279600 -54.5621 1.72666 19.9916 0.953389 56.874 -28.4231 21.8055 -27.658 11.0246 TIMING: 2279600 CPU: 7122.41, 0.0030925/step Wall: 7122.41, 0.0030925/step, 2.3369 hours remaining, 235.734375 MB of memory in use. ENERGY: 2279600 4012.4327 20397.4612 14329.0535 232.0249 -203203.6702 2845.9477 0.0000 0.0000 51845.8129 -109540.9373 297.9586 -161386.7502 -109183.2145 298.5418 163.4907 182.4551 762810.4180 4.4407 4.4455 PRESSURE: 2279800 -326.358 32.6169 172.655 32.6169 -27.4267 -97.2857 172.655 -97.2855 -315.241 GPRESSURE: 2279800 -452.502 113.436 237.375 96.7953 69.5903 -92.417 259.288 -32.1911 -187.723 PRESSAVG: 2279800 -25.9298 -36.569 20.5817 -36.569 27.8537 -60.5067 20.5817 -60.5067 -5.21358 GPRESSAVG: 2279800 -26.328 -36.7519 22.7617 -37.2685 27.0934 -61.3738 20.9188 -60.4844 -3.4989 TIMING: 2279800 CPU: 7123.03, 0.00310058/step Wall: 7123.03, 0.00310058/step, 2.34283 hours remaining, 235.734375 MB of memory in use. ENERGY: 2279800 3981.5489 20482.5222 14330.2924 231.1614 -203407.2495 2800.4605 0.0000 0.0000 52012.7832 -109568.4809 298.9182 -161581.2641 -109201.6913 298.5608 -223.0085 -190.2113 763347.5245 -1.0966 -0.9112 PRESSURE: 2280000 253.338 51.2597 -111.208 51.2591 268.915 -127.097 -111.21 -127.098 -68.0457 GPRESSURE: 2280000 289.096 -58.3041 -21.9597 10.849 255.526 -81.3214 -106.713 -72.2711 4.88209 PRESSAVG: 2280000 -4.55209 -8.27162 32.1599 -8.27164 7.82474 11.8492 32.1599 11.8492 -24.5973 GPRESSAVG: 2280000 -3.90419 -10.5272 30.6714 -6.61171 8.08743 12.6312 33.0758 9.38446 -25.5006 TIMING: 2280000 CPU: 7123.65, 0.00311957/step Wall: 7123.65, 0.00311957/step, 2.35701 hours remaining, 235.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2280000 3987.2114 20582.4424 14390.1971 268.1369 -203559.5239 3011.8552 0.0000 0.0000 51855.2563 -109464.4246 298.0129 -161319.6809 -109092.6230 298.8435 151.4025 183.1683 763146.0103 -7.1082 -7.1058 PRESSURE: 2280200 -73.053 46.6367 28.7793 46.6372 188.275 -111.762 28.7792 -111.762 83.3855 GPRESSURE: 2280200 0.0436189 99.4712 74.3117 2.97297 234.93 -96.941 14.0824 16.801 63.4408 PRESSAVG: 2280200 -48.4011 -8.74944 -2.43264 -8.74937 88.1114 -6.41269 -2.43268 -6.41277 0.071207 GPRESSAVG: 2280200 -48.4144 -5.44178 -1.22381 -9.33325 87.8408 -6.56585 -3.66178 -3.5801 0.267574 TIMING: 2280200 CPU: 7124.28, 0.00311262/step Wall: 7124.28, 0.00311262/step, 2.35159 hours remaining, 235.734375 MB of memory in use. ENERGY: 2280200 4040.5630 20531.0895 14334.0058 236.3586 -203724.9557 3110.8221 0.0000 0.0000 52026.2232 -109445.8934 298.9954 -161472.1166 -109082.2364 298.4326 66.2026 99.4713 760816.7170 13.2605 13.2313 LDB: ============= START OF LOAD BALANCING ============== 7136.75 LDB: ============== END OF LOAD BALANCING =============== 7136.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7136.75 LDB: ============= START OF LOAD BALANCING ============== 7137.07 LDB: Largest compute 7069 load 0.029824 is 15.3% of average load 0.195193 LDB: Average compute 0.004384 is 2.2% of average load 0.195193 LDB: TIME 7137.07 LOAD: AVG 0.195193 MAX 0.222029 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.379 MB LDB: TIME 7137.07 LOAD: AVG 0.195193 MAX 0.222029 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.379 MB LDB: TIME 7137.07 LOAD: AVG 0.195193 MAX 0.217673 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.379 MB LDB: ============== END OF LOAD BALANCING =============== 7137.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7137.08 PRESSURE: 2280400 -326.27 212.539 -226.548 212.539 -164.745 -77.211 -226.547 -77.2109 -73.1521 GPRESSURE: 2280400 -251.822 216.9 -225.165 118.538 -132.363 -22.861 -79.6094 -67.5562 -78.1851 PRESSAVG: 2280400 -130.742 1.2278 -19.4153 1.22785 102.486 44.2116 -19.4153 44.2116 2.53226 GPRESSAVG: 2280400 -131.52 0.166749 -20.0234 2.25761 103.162 44.676 -19.2335 42.0018 2.28233 TIMING: 2280400 CPU: 7124.91, 0.00316484/step Wall: 7124.91, 0.00316484/step, 2.39086 hours remaining, 235.921875 MB of memory in use. ENERGY: 2280400 3957.2854 20363.8089 14484.3815 248.2396 -203108.5393 2513.3833 0.0000 0.0000 51909.1711 -109632.2696 298.3227 -161541.4407 -109269.7297 298.4934 -188.0555 -154.1234 762889.6822 -8.5745 -8.6917 PRESSURE: 2280600 298.948 -125.31 -109.87 -125.31 -198.867 15.4636 -109.87 15.4642 -94.2559 GPRESSURE: 2280600 306.496 -89.2798 38.1739 -121.629 -83.2218 14.1321 -178.86 65.1426 -114.517 PRESSAVG: 2280600 -67.7135 -25.0939 15.8261 -25.0938 49.8496 13.5341 15.8262 13.5342 11.9378 GPRESSAVG: 2280600 -66.9023 -26.1218 16.1039 -26.5264 50.1075 15.0823 14.6624 14.8559 10.8627 TIMING: 2280600 CPU: 7125.53, 0.00311838/step Wall: 7125.53, 0.00311838/step, 2.35559 hours remaining, 235.921875 MB of memory in use. ENERGY: 2280600 4036.0456 20426.0353 14324.6859 245.8529 -203640.7675 2717.1737 0.0000 0.0000 52315.8494 -109575.1247 300.6599 -161890.9741 -109202.1942 298.5208 1.9419 36.2522 762121.3190 -1.9754 -1.9774 PRESSURE: 2280800 -52.2389 130.326 62.1493 130.326 160.714 80.3881 62.1495 80.3869 -444.831 GPRESSURE: 2280800 -41.1378 209.67 2.63462 137.755 182.197 121.761 13.0866 7.229 -402.764 PRESSAVG: 2280800 -50.0312 4.99487 -8.81332 4.99482 52.3538 -26.0468 -8.81337 -26.0468 -8.6516 GPRESSAVG: 2280800 -49.7604 4.85809 -8.83966 7.46186 51.2769 -26.8169 -10.9253 -24.5458 -7.90931 TIMING: 2280800 CPU: 7126.16, 0.00311695/step Wall: 7126.16, 0.00311695/step, 2.35433 hours remaining, 235.921875 MB of memory in use. ENERGY: 2280800 4111.8282 20405.2977 14425.2583 242.7061 -203795.8238 2806.8602 0.0000 0.0000 52158.8481 -109645.0251 299.7576 -161803.8732 -109281.0011 298.9762 -112.1187 -87.2349 762448.8983 -2.1097 -2.1309 PRESSURE: 2281000 -120.21 142.245 39.6894 142.245 72.8339 10.0162 39.69 10.0164 -379.083 GPRESSURE: 2281000 -73.0658 253.79 17.4607 105.269 13.5969 -47.7396 45.2663 68.9338 -299.348 PRESSAVG: 2281000 -3.85673 36.5409 -15.5409 36.5409 26.708 -40.7075 -15.5409 -40.7076 -4.49305 GPRESSAVG: 2281000 -4.61988 35.5672 -15.2771 37.4588 27.3759 -40.8342 -11.5452 -41.1487 -4.49872 TIMING: 2281000 CPU: 7126.78, 0.00309921/step Wall: 7126.78, 0.00309921/step, 2.34076 hours remaining, 235.921875 MB of memory in use. ENERGY: 2281000 4043.6205 20353.4662 14488.3230 260.5974 -203650.4424 2869.2898 0.0000 0.0000 52059.4523 -109575.6931 299.1864 -161635.1454 -109208.8707 298.0916 -142.1533 -119.6056 762943.4497 6.1194 6.0858 PRESSURE: 2281200 -119.842 138.29 11.5383 138.29 211.511 -20.4714 11.5378 -20.4721 7.46598 GPRESSURE: 2281200 -81.1668 156.682 -24.0542 110.796 196.704 -31.5546 43.7428 -38.1698 54.1901 PRESSAVG: 2281200 -21.1885 65.8884 -20.638 65.8884 4.11597 -49.3852 -20.638 -49.3852 16.5283 GPRESSAVG: 2281200 -20.5413 69.7341 -21.6395 63.4364 3.86978 -49.041 -21.2337 -51.5509 16.425 TIMING: 2281200 CPU: 7127.39, 0.00308611/step Wall: 7127.39, 0.00308611/step, 2.3307 hours remaining, 235.921875 MB of memory in use. ENERGY: 2281200 4021.2339 20602.8581 14423.2364 268.0459 -203302.2416 2629.4540 0.0000 0.0000 51958.3633 -109399.0500 298.6054 -161357.4133 -109042.1806 299.0040 33.0450 56.5756 763028.5597 -0.1814 -0.0822 PRESSURE: 2281400 90.0352 -133.939 0.571278 -133.939 201.524 117.653 0.571831 117.655 -24.0303 GPRESSURE: 2281400 162.877 -61.9124 51.0115 -34.5283 253.863 195.659 -113.923 20.3887 -62.8238 PRESSAVG: 2281400 -21.997 8.04416 -18.1306 8.04412 27.7682 -52.5804 -18.1306 -52.5804 -1.90207 GPRESSAVG: 2281400 -21.8743 6.60817 -18.2954 8.38601 27.3657 -53.699 -19.1704 -50.9054 -1.55293 TIMING: 2281400 CPU: 7128.01, 0.00309186/step Wall: 7128.01, 0.00309186/step, 2.33487 hours remaining, 235.921875 MB of memory in use. ENERGY: 2281400 3994.8746 20555.6321 14317.7088 242.4570 -203260.2770 2927.2522 0.0000 0.0000 52026.3460 -109196.0063 298.9961 -161222.3523 -108840.4244 299.1522 89.1764 117.9722 763096.6609 1.2897 1.3128 PRESSURE: 2281600 111.928 -214.192 87.209 -214.193 -229.924 -16.0667 87.2082 -16.0653 -385.353 GPRESSURE: 2281600 155.904 -198.65 11.0934 -204.723 -267.633 -114.753 -59.3874 48.1998 -317.745 PRESSAVG: 2281600 -9.50685 17.8845 -22.0666 17.8845 14.6584 -57.6109 -22.0666 -57.6109 4.91036 GPRESSAVG: 2281600 -9.76255 17.6744 -22.3302 16.8049 14.359 -58.0594 -23.207 -57.5154 5.50992 TIMING: 2281600 CPU: 7128.63, 0.00308148/step Wall: 7128.63, 0.00308148/step, 2.32686 hours remaining, 235.921875 MB of memory in use. ENERGY: 2281600 4038.3320 20603.8135 14437.2884 252.4993 -203204.2950 2707.8378 0.0000 0.0000 51906.0083 -109258.5158 298.3045 -161164.5241 -108905.7370 299.5492 -167.7834 -143.1580 762962.7277 3.3540 3.3688 PRESSURE: 2281800 -42.4459 241.172 212.188 241.172 102.638 92.5337 212.189 92.5349 31.172 GPRESSURE: 2281800 76.8964 316.67 123.444 175.595 101.92 85.8037 149.016 170.116 7.5336 PRESSAVG: 2281800 13.6549 89.4197 -15.178 89.4197 -15.359 -68.0218 -15.178 -68.0216 -18.8476 GPRESSAVG: 2281800 14.4127 86.667 -15.4487 91.5821 -15.381 -67.5066 -13.2693 -68.0077 -19.8688 TIMING: 2281800 CPU: 7129.25, 0.00309978/step Wall: 7129.25, 0.00309978/step, 2.3405 hours remaining, 235.921875 MB of memory in use. ENERGY: 2281800 3957.3781 20451.9274 14422.0466 238.0042 -203168.3570 2659.6115 0.0000 0.0000 52047.4547 -109391.9346 299.1174 -161439.3892 -109024.7267 298.9328 30.4547 62.1166 764212.9243 -6.8506 -6.9457 PRESSURE: 2282000 12.4762 -14.6502 210.836 -14.6488 187.922 -37.682 210.838 -37.6825 305.911 GPRESSURE: 2282000 -60.87 -33.6012 97.7543 -42.078 264.868 -58.5182 262.223 -58.958 370.891 PRESSAVG: 2282000 23.8839 42.5095 14.5376 42.5095 3.88747 -19.3105 14.5377 -19.3105 3.39951 GPRESSAVG: 2282000 21.2696 43.5236 15.1551 42.479 5.98203 -21.1006 14.2858 -19.1169 4.14583 TIMING: 2282000 CPU: 7129.87, 0.0030918/step Wall: 7129.87, 0.0030918/step, 2.33431 hours remaining, 235.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2282000 4003.7419 20381.7825 14350.4789 254.9646 -203537.0720 2866.5903 0.0000 0.0000 52169.5095 -109510.0043 299.8189 -161679.5137 -109153.0981 298.6826 168.7695 191.6296 763125.1995 10.3903 10.4658 PRESSURE: 2282200 -67.3731 61.4255 -8.16878 61.4255 -16.9239 -47.0004 -8.1695 -46.9999 -358.276 GPRESSURE: 2282200 52.2974 36.7111 6.8185 4.44629 -25.7128 -43.4958 4.57913 60.5946 -370.441 PRESSAVG: 2282200 -20.8528 20.3383 26.1024 20.3383 16.0687 -5.75203 26.1024 -5.75197 18.1539 GPRESSAVG: 2282200 -19.9018 21.775 25.412 17.8121 15.687 -3.09389 26.4519 -7.50328 18.2121 TIMING: 2282200 CPU: 7130.49, 0.00312399/step Wall: 7130.49, 0.00312399/step, 2.35844 hours remaining, 235.921875 MB of memory in use. ENERGY: 2282200 4016.3927 20651.1225 14319.2090 239.5417 -203509.4811 2847.8407 0.0000 0.0000 51720.4338 -109714.9407 297.2380 -161435.3745 -109355.1178 298.7213 -147.5243 -114.6188 761478.5298 4.4566 4.6657 PRESSURE: 2282400 -86.8577 156.748 -56.4305 156.748 -467.002 51.6272 -56.4308 51.6279 -66.4068 GPRESSURE: 2282400 -21.3286 33.8781 -10.2986 104.208 -387.14 198.124 -92.9944 -56.4645 -125.891 PRESSAVG: 2282400 -49.7562 18.1465 -16.2293 18.1465 37.441 1.6317 -16.2293 1.6317 13.1157 GPRESSAVG: 2282400 -49.0618 19.1263 -15.4792 17.5785 37.9165 1.34857 -17.2517 2.62567 12.2169 TIMING: 2282400 CPU: 7131.11, 0.00310191/step Wall: 7131.11, 0.00310191/step, 2.3416 hours remaining, 235.921875 MB of memory in use. ENERGY: 2282400 4064.7411 20455.0643 14473.9140 255.9024 -203361.7942 2524.6770 0.0000 0.0000 51897.4248 -109690.0707 298.2552 -161587.4954 -109322.9556 298.5041 -206.7556 -178.1199 760971.8649 0.2668 0.3572 PRESSURE: 2282600 32.8345 -213.735 273.138 -213.735 -72.2916 -107.008 273.138 -107.007 -67.866 GPRESSURE: 2282600 40.2612 -214.963 299.076 -136.406 -12.7355 -119.993 154.119 -163.791 -47.1225 PRESSAVG: 2282600 45.098 -20.474 -23.1164 -20.4739 -6.45467 25.7572 -23.1164 25.7572 8.41938 GPRESSAVG: 2282600 45.0909 -21.2115 -22.1592 -18.0908 -7.9621 23.1692 -22.5569 25.4442 9.64613 TIMING: 2282600 CPU: 7131.73, 0.00310907/step Wall: 7131.73, 0.00310907/step, 2.34683 hours remaining, 235.921875 MB of memory in use. ENERGY: 2282600 3981.7193 20461.8459 14383.3056 265.5238 -203553.1320 2958.1771 0.0000 0.0000 51918.8769 -109583.6835 298.3785 -161502.5604 -109234.6227 298.1561 -35.7743 -6.5323 761134.1725 15.6876 15.5917 PRESSURE: 2282800 -89.3292 213.639 -146.684 213.638 95.1054 -36.8124 -146.684 -36.8123 313.785 GPRESSURE: 2282800 -18.9409 107.31 -74.0569 319.423 149.417 -16.1559 -272.312 -40.0588 266.488 PRESSAVG: 2282800 35.3625 1.70813 12.6769 1.7082 -16.6352 -23.0649 12.6768 -23.065 -5.51342 GPRESSAVG: 2282800 35.5453 1.49207 13.065 0.330054 -16.1107 -21.6047 11.0871 -23.5632 -6.57904 TIMING: 2282800 CPU: 7132.35, 0.0031001/step Wall: 7132.35, 0.0031001/step, 2.33989 hours remaining, 235.921875 MB of memory in use. ENERGY: 2282800 3971.2836 20566.1991 14371.7753 254.2088 -203153.0422 2646.2768 0.0000 0.0000 51911.8711 -109431.4276 298.3382 -161343.2986 -109057.2700 298.6171 106.5203 132.3212 760938.1078 4.4046 4.2852 PRESSURE: 2283000 -23.8424 -123.053 -130.239 -123.054 -338.642 44.3609 -130.239 44.3609 30.4527 GPRESSURE: 2283000 -69.9749 -99.0766 -45.802 -207.728 -275.058 65.8582 -234.319 -87.8905 97.4704 PRESSAVG: 2283000 26.9591 -39.1273 -2.78513 -39.1273 -16.0021 -15.1939 -2.78505 -15.194 3.04945 GPRESSAVG: 2283000 26.1981 -40.1662 -3.59693 -39.5165 -15.9001 -14.9399 -0.89252 -13.2981 4.15815 TIMING: 2283000 CPU: 7132.97, 0.00310265/step Wall: 7132.97, 0.00310265/step, 2.34164 hours remaining, 235.921875 MB of memory in use. ENERGY: 2283000 4035.7404 20573.6525 14443.0710 262.4852 -203369.8028 2506.4250 0.0000 0.0000 51949.3456 -109599.0831 298.5536 -161548.4287 -109240.7760 298.4460 -110.6773 -82.5210 759566.6380 4.6688 4.8187 PRESSURE: 2283200 106.818 93.3481 130.065 93.3477 -69.1825 -32.8734 130.065 -32.874 -114.041 GPRESSURE: 2283200 84.4082 1.67364 83.8286 67.5391 7.6378 -118.236 117.278 42.3936 -79.3019 PRESSAVG: 2283200 4.00496 -19.309 31.9716 -19.3091 7.21592 -30.0659 31.9716 -30.066 -17.4627 GPRESSAVG: 2283200 4.25742 -19.9986 30.6388 -17.8148 6.80668 -31.4067 30.9343 -30.3688 -17.7344 TIMING: 2283200 CPU: 7133.6, 0.00311106/step Wall: 7133.6, 0.00311106/step, 2.34781 hours remaining, 235.921875 MB of memory in use. ENERGY: 2283200 4024.1213 20482.2213 14433.1066 235.4564 -203856.9941 3044.8066 0.0000 0.0000 52064.3222 -109572.9597 299.2144 -161637.2819 -109209.8520 298.3668 -25.4686 4.2481 760276.4716 -2.0806 -2.2234 PRESSURE: 2283400 112.295 -205.77 -45.9818 -205.771 -310.856 219.144 -45.9809 219.144 584.689 GPRESSURE: 2283400 171.981 -175.687 -42.9364 -158.88 -342.475 230.477 -74.7286 130.182 654.084 PRESSAVG: 2283400 29.3784 -7.93114 6.69281 -7.9312 -16.8244 22.7249 6.69288 22.725 35.7195 GPRESSAVG: 2283400 30.1424 -8.22741 9.47895 -7.83479 -16.9128 24.3011 5.05553 19.3294 34.8932 TIMING: 2283400 CPU: 7134.22, 0.00312937/step Wall: 7134.22, 0.00312937/step, 2.36146 hours remaining, 235.921875 MB of memory in use. ENERGY: 2283400 3973.1122 20410.8588 14494.7697 270.3721 -203596.7647 2945.9509 0.0000 0.0000 51864.5814 -109637.1197 298.0665 -161501.7012 -109290.8006 298.9236 128.7095 161.1964 759912.7679 16.0912 16.0410 PRESSURE: 2283600 53.9197 -121.475 -258.115 -121.475 -71.5325 -164.795 -258.115 -164.793 31.8586 GPRESSURE: 2283600 53.5373 -98.3529 -238.848 -108.866 43.0048 -209.262 -292.841 -237.18 25.1072 PRESSAVG: 2283600 20.1138 9.16545 6.35104 9.16549 -16.6902 20.4661 6.35094 20.4661 1.67285 GPRESSAVG: 2283600 19.6708 12.2496 3.92026 7.34686 -16.7778 19.6679 7.50247 21.3058 2.72558 TIMING: 2283600 CPU: 7134.85, 0.00312772/step Wall: 7134.85, 0.00312772/step, 2.36004 hours remaining, 235.921875 MB of memory in use. ENERGY: 2283600 3974.7423 20377.2895 14418.5931 250.1237 -203801.7578 2923.1179 0.0000 0.0000 52237.4062 -109620.4851 300.2091 -161857.8913 -109257.3234 298.6814 4.7486 40.5498 761287.2515 1.6988 1.8729 PRESSURE: 2283800 -195.086 -84.692 4.44099 -84.6929 41.1644 -108.161 4.4411 -108.162 -43.7782 GPRESSURE: 2283800 -165.069 -108.435 -0.810712 -119.554 25.5624 -126.927 42.3889 -186.168 16.4525 PRESSAVG: 2283800 -42.2135 -5.89231 12.2568 -5.89233 24.9786 -16.9927 12.2568 -16.9927 -0.714041 GPRESSAVG: 2283800 -41.3434 -7.55608 12.7914 -4.23471 24.33 -16.6875 10.5226 -15.6416 -0.792553 TIMING: 2283800 CPU: 7135.47, 0.00311521/step Wall: 7135.47, 0.00311521/step, 2.35042 hours remaining, 235.921875 MB of memory in use. ENERGY: 2283800 3972.3564 20535.3576 14424.9305 254.7045 -203296.2705 2558.4875 0.0000 0.0000 51965.8247 -109584.6094 298.6483 -161550.4340 -109222.1257 299.0212 -65.9001 -41.0181 762057.9872 -5.9830 -5.9353 PRESSURE: 2284000 189.23 -41.1013 -53.4495 -41.1016 -176.856 22.8245 -53.4497 22.8238 -187.459 GPRESSURE: 2284000 239.968 -69.4837 -74.1296 66.3178 -203.042 -6.81252 -66.8166 21.3321 -125.489 PRESSAVG: 2284000 26.3904 -4.86495 -10.5257 -4.86496 -8.60166 -10.7794 -10.5258 -10.7794 -15.6408 GPRESSAVG: 2284000 26.7341 -5.135 -10.6762 -5.41937 -9.40688 -11.0221 -7.93535 -12.2951 -15.1994 TIMING: 2284000 CPU: 7136.09, 0.00311159/step Wall: 7136.09, 0.00311159/step, 2.34752 hours remaining, 235.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2284000 3986.0259 20388.4124 14437.0900 248.5329 -203109.3590 2729.2578 0.0000 0.0000 51941.8005 -109378.2396 298.5102 -161320.0401 -109018.1725 298.6148 -58.3614 -29.5210 762941.5072 0.7160 0.7092 PRESSURE: 2284200 258.614 -350.421 -22.2237 -350.421 -6.04291 -53.5007 -22.2229 -53.5007 52.893 GPRESSURE: 2284200 271.254 -316.302 20.5102 -326.187 5.12342 -33.8026 22.1264 -50.9228 115.667 PRESSAVG: 2284200 22.8031 -42.1667 -55.909 -42.1667 -30.7641 -24.6816 -55.909 -24.6816 9.32024 GPRESSAVG: 2284200 23.5536 -41.2721 -57.0103 -42.0458 -30.9912 -23.883 -54.5607 -23.3543 8.70438 TIMING: 2284200 CPU: 7136.72, 0.00312682/step Wall: 7136.72, 0.00312682/step, 2.35884 hours remaining, 235.921875 MB of memory in use. ENERGY: 2284200 3965.7297 20597.1283 14423.3059 232.2298 -203835.4782 2960.6368 0.0000 0.0000 52327.6881 -109328.7597 300.7279 -161656.4477 -108962.3966 299.1737 101.8214 130.6815 760160.4703 0.4531 0.4223 LDB: ============= START OF LOAD BALANCING ============== 7149.2 LDB: ============== END OF LOAD BALANCING =============== 7149.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7149.2 LDB: ============= START OF LOAD BALANCING ============== 7149.51 LDB: Largest compute 7069 load 0.030202 is 15.5% of average load 0.195125 LDB: Average compute 0.004394 is 2.3% of average load 0.195125 LDB: TIME 7149.51 LOAD: AVG 0.195125 MAX 0.215347 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.055 MB LDB: TIME 7149.51 LOAD: AVG 0.195125 MAX 0.215347 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.055 MB LDB: TIME 7149.51 LOAD: AVG 0.195125 MAX 0.215347 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.055 MB LDB: ============== END OF LOAD BALANCING =============== 7149.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7149.52 PRESSURE: 2284400 -35.5635 -37.4359 169.673 -37.4358 -171.645 33.1097 169.674 33.1101 -133.109 GPRESSURE: 2284400 -126.881 146.691 166.817 -122.302 -61.5296 -15.1094 142.629 -26.8554 -84.938 PRESSAVG: 2284400 -14.4934 -22.7862 1.82116 -22.7862 9.79589 47.6137 1.82113 47.6137 17.1273 GPRESSAVG: 2284400 -15.7001 -21.8451 2.51828 -23.6461 10.0892 47.7694 -0.0416187 46.0393 17.7572 TIMING: 2284400 CPU: 7137.36, 0.00318495/step Wall: 7137.36, 0.00318494/step, 2.40251 hours remaining, 233.542969 MB of memory in use. ENERGY: 2284400 3995.5274 20552.1281 14434.0315 225.3200 -203001.5126 2635.5772 0.0000 0.0000 52045.6230 -109113.3055 299.1069 -161158.9284 -108754.8531 299.6544 -113.4389 -91.1161 761416.7772 4.1433 4.0488 PRESSURE: 2284600 -405.015 -37.778 -109.534 -37.7777 -191.156 -88.7923 -109.535 -88.7923 -42.5208 GPRESSURE: 2284600 -406.046 -118.641 -147.989 36.6546 -138.789 -137.029 -92.043 -80.1729 -5.32108 PRESSAVG: 2284600 -22.4218 -14.7653 -46.0386 -14.7653 14.4609 21.6918 -46.0386 21.6918 -28.681 GPRESSAVG: 2284600 -22.8433 -15.6808 -46.4088 -14.1289 14.3746 21.7871 -46.0175 22.0703 -28.2337 TIMING: 2284600 CPU: 7137.98, 0.0031164/step Wall: 7137.98, 0.0031164/step, 2.35063 hours remaining, 233.542969 MB of memory in use. ENERGY: 2284600 3892.1975 20575.9285 14498.1490 253.9851 -202627.1767 2281.4544 0.0000 0.0000 52039.1779 -109086.2843 299.0699 -161125.4622 -108721.4397 299.3629 -212.8975 -183.3856 763733.6517 -12.2140 -12.2342 PRESSURE: 2284800 172.88 179.224 3.26858 179.224 -99.6782 253.703 3.2688 253.703 -147.028 GPRESSURE: 2284800 188.359 188.165 -30.5502 253.129 -78.8551 225.589 15.272 250.95 -107.961 PRESSAVG: 2284800 -34.3357 3.00787 -37.9237 3.00788 15.1327 25.8694 -37.9238 25.8694 -11.5464 GPRESSAVG: 2284800 -33.8931 2.15923 -37.5406 3.91829 16.4201 26.1246 -39.1135 27.9817 -12.9565 TIMING: 2284800 CPU: 7138.61, 0.0031305/step Wall: 7138.61, 0.0031305/step, 2.36109 hours remaining, 233.542969 MB of memory in use. ENERGY: 2284800 4035.9907 20439.5017 14424.8817 252.3249 -202927.1167 2578.1543 0.0000 0.0000 52136.6822 -109059.5812 299.6302 -161196.2634 -108693.9528 299.0000 -24.6089 0.5142 763240.2275 -10.2498 -10.1432 PRESSURE: 2285000 340.585 -33.4302 135.237 -33.4301 4.74596 -38.7428 135.237 -38.7426 -173.299 GPRESSURE: 2285000 349.641 9.92418 106.387 -0.911379 -34.6467 -104.69 140.182 70.7596 -49.259 PRESSAVG: 2285000 13.8446 48.458 -21.4948 48.458 -24.0647 -9.79561 -21.4947 -9.79566 1.3784 GPRESSAVG: 2285000 13.1671 50.0986 -23.1845 47.9721 -23.4108 -9.95869 -20.7523 -9.15295 2.19726 TIMING: 2285000 CPU: 7139.23, 0.00311652/step Wall: 7139.23, 0.00311652/step, 2.35038 hours remaining, 233.542969 MB of memory in use. ENERGY: 2285000 4066.4673 20477.5719 14339.9185 258.5318 -203153.0097 2855.8743 0.0000 0.0000 52099.8303 -109054.8154 299.4184 -161154.6458 -108698.3855 299.3438 57.3438 88.5784 761715.0108 -2.9472 -2.6821 PRESSURE: 2285200 -500.869 164.499 -110.59 164.499 53.3974 260.819 -110.59 260.82 -187.833 GPRESSURE: 2285200 -450.449 197.795 -65.0327 222.459 36.7968 138.144 -111.961 210.999 -138.302 PRESSAVG: 2285200 -25.7641 31.9508 0.347598 31.9509 -9.65075 -7.26922 0.347658 -7.26933 7.87694 GPRESSAVG: 2285200 -24.4594 31.6208 2.17124 32.0525 -11.1734 -7.5273 0.367617 -8.24924 7.7343 TIMING: 2285200 CPU: 7139.85, 0.00311656/step Wall: 7139.85, 0.00311656/step, 2.35023 hours remaining, 233.542969 MB of memory in use. ENERGY: 2285200 4039.0650 20620.0090 14436.4271 236.6013 -202635.2560 2318.2902 0.0000 0.0000 51821.0379 -109163.8255 297.8162 -160984.8634 -108807.5147 299.6670 -211.7683 -183.9847 763317.6654 -9.1793 -9.2995 PRESSURE: 2285400 -356.516 205.253 -82.7277 205.253 -118.208 270.637 -82.7279 270.637 -127.44 GPRESSURE: 2285400 -465.135 163.087 -3.98542 308.306 16.4401 206.286 -234.058 350.376 -88.3393 PRESSAVG: 2285400 -78.2037 41.5906 -38.5803 41.5906 52.1881 -2.23166 -38.5803 -2.23159 -8.68639 GPRESSAVG: 2285400 -80.6519 40.891 -38.5487 39.5843 54.0116 -4.53417 -37.7609 -2.4218 -8.17703 TIMING: 2285400 CPU: 7140.48, 0.00313593/step Wall: 7140.48, 0.00313593/step, 2.36467 hours remaining, 233.542969 MB of memory in use. ENERGY: 2285400 4013.7379 20482.4411 14435.9055 253.8984 -203169.7325 2720.4710 0.0000 0.0000 52292.1175 -108971.1612 300.5235 -161263.2786 -108600.3452 300.0723 -200.7213 -179.0114 763782.3623 -11.5673 -11.6058 PRESSURE: 2285600 -86.1801 8.26394 -182.151 8.26357 -61.6608 -16.2159 -182.151 -16.2162 48.9786 GPRESSURE: 2285600 1.11349 20.5385 -170.914 42.6902 -56.7099 91.6154 -120.821 99.6543 44.4897 PRESSAVG: 2285600 -82.4413 -8.23443 -68.2992 -8.23433 50.7004 37.3232 -68.2992 37.3232 -6.02727 GPRESSAVG: 2285600 -79.2987 -8.77218 -68.1107 -6.52437 48.4976 39.8045 -68.3892 38.3899 -7.23077 TIMING: 2285600 CPU: 7141.11, 0.0031288/step Wall: 7141.11, 0.0031288/step, 2.35911 hours remaining, 233.542969 MB of memory in use. ENERGY: 2285600 4082.6160 20512.0539 14387.8033 259.0402 -203238.9169 2791.9968 0.0000 0.0000 52314.1228 -108891.2839 300.6500 -161205.4067 -108526.6002 300.3645 -32.9541 -3.7022 762456.6379 -12.5894 -12.6773 PRESSURE: 2285800 -414.399 -74.568 -45.269 -74.5681 -147.636 -201.775 -45.2685 -201.774 -344.701 GPRESSURE: 2285800 -446.725 -68.7695 -125.613 -120.487 -56.6708 -166.681 -22.1951 -121.132 -314.913 PRESSAVG: 2285800 -14.2785 16.2733 -37.1302 16.2734 32.4098 13.5102 -37.1303 13.5102 4.34363 GPRESSAVG: 2285800 -15.854 18.7215 -37.5785 15.8968 33.2296 13.4166 -37.1699 11.9771 5.66032 TIMING: 2285800 CPU: 7141.73, 0.00310999/step Wall: 7141.73, 0.00310999/step, 2.34476 hours remaining, 233.542969 MB of memory in use. ENERGY: 2285800 4056.6722 20630.8280 14461.0805 243.2517 -203201.8713 2728.3460 0.0000 0.0000 52152.3809 -108929.3120 299.7204 -161081.6928 -108568.1092 300.9289 -302.2454 -272.7697 762131.9272 7.4917 7.6787 PRESSURE: 2286000 -112.84 120.335 161.445 120.335 -413.946 48.5044 161.445 48.504 -285.129 GPRESSURE: 2286000 -161.475 63.5415 175.063 77.6865 -424.325 52.719 152.278 -10.9234 -164.433 PRESSAVG: 2286000 2.22528 15.5072 -15.8605 15.5073 1.87398 11.337 -15.8605 11.337 5.01374 GPRESSAVG: 2286000 1.31401 13.8211 -15.471 17.009 2.26095 9.66662 -15.9022 10.481 4.58282 TIMING: 2286000 CPU: 7142.36, 0.00313948/step Wall: 7142.36, 0.00313948/step, 2.36682 hours remaining, 233.542969 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: 2286000 3951.5813 20627.8103 14453.5682 254.6089 -202745.6598 2378.9010 0.0000 0.0000 52328.7419 -108750.4481 300.7340 -161079.1900 -108384.4497 300.5891 -270.6385 -250.0781 763218.1230 3.0377 2.7193 PRESSURE: 2286200 -105.559 113.31 73.6447 113.31 94.0153 247.621 73.6443 247.621 74.1631 GPRESSURE: 2286200 22.6328 215.111 162.54 118.215 34.3094 219.58 67.8318 318.577 116.65 PRESSAVG: 2286200 -7.34864 -14.8972 -8.40413 -14.8972 -0.730544 -0.0986919 -8.40418 -0.098754 -5.96716 GPRESSAVG: 2286200 -6.26472 -15.4751 -9.68618 -15.2219 -1.96161 0.642477 -7.81268 1.84049 -5.31544 TIMING: 2286200 CPU: 7142.98, 0.00311985/step Wall: 7142.98, 0.00311985/step, 2.35185 hours remaining, 233.542969 MB of memory in use. ENERGY: 2286200 4029.8627 20511.7610 14391.7975 249.6471 -202913.0922 2691.9450 0.0000 0.0000 52182.4079 -108855.6711 299.8930 -161038.0790 -108504.5425 299.9547 20.8732 57.8639 762397.3856 -4.6821 -4.5139 PRESSURE: 2286400 -26.2079 299.894 246.088 299.894 -92.5624 94.8444 246.089 94.8437 221.131 GPRESSURE: 2286400 -5.56538 379.627 161.368 319.727 -19.4049 119.688 301.369 215.856 231.313 PRESSAVG: 2286400 -42.6629 23.67 48.387 23.6701 38.8165 -18.9031 48.387 -18.9031 -13.3517 GPRESSAVG: 2286400 -42.4877 23.6647 48.1775 20.9984 39.9852 -18.607 46.7846 -19.7709 -14.8177 TIMING: 2286400 CPU: 7143.6, 0.00311849/step Wall: 7143.6, 0.00311849/step, 2.35064 hours remaining, 233.542969 MB of memory in use. ENERGY: 2286400 3983.9825 20429.0188 14476.5340 249.6289 -202847.1335 2721.0587 0.0000 0.0000 52045.1777 -108941.7330 299.1044 -160986.9107 -108582.9518 300.3612 34.1203 68.7809 762117.2559 -5.7327 -5.7734 PRESSURE: 2286600 -59.9697 -14.0533 -14.977 -14.054 -463.245 -30.7244 -14.9777 -30.7246 -72.1799 GPRESSURE: 2286600 66.7594 -159.061 -50.8379 -69.1161 -439.757 95.4669 0.241118 11.7368 -127.54 PRESSAVG: 2286600 10.7015 35.1319 -14.3792 35.132 17.5226 17.1521 -14.3791 17.1521 5.53653 GPRESSAVG: 2286600 11.2884 35.6688 -11.6522 35.8076 16.9387 17.7993 -13.5928 17.2493 5.99169 TIMING: 2286600 CPU: 7144.22, 0.00310455/step Wall: 7144.22, 0.00310455/step, 2.33997 hours remaining, 233.542969 MB of memory in use. ENERGY: 2286600 4030.3972 20544.0339 14351.3716 252.1741 -203005.5983 2664.5991 0.0000 0.0000 52171.8047 -108991.2177 299.8321 -161163.0224 -108628.9821 299.6458 -198.4650 -166.8459 762929.1346 11.2535 11.4062 PRESSURE: 2286800 205.993 26.8995 202.43 26.8994 -6.20653 -83.5847 202.431 -83.5842 -7.55425 GPRESSURE: 2286800 249.325 -17.9566 269.247 -39.8153 43.5398 -72.9771 116.65 -104.296 -36.1056 PRESSAVG: 2286800 14.9629 -14.244 34.2472 -14.244 -50.2394 -67.3733 34.2471 -67.3733 -2.49393 GPRESSAVG: 2286800 14.5541 -13.9184 32.1439 -15.0597 -50.7082 -68.6184 34.2849 -69.4207 -2.60989 TIMING: 2286800 CPU: 7144.85, 0.00311848/step Wall: 7144.85, 0.00311848/step, 2.3503 hours remaining, 233.542969 MB of memory in use. ENERGY: 2286800 3995.2052 20534.7381 14380.4493 254.6529 -203210.2950 2789.0230 0.0000 0.0000 52192.6648 -109063.5616 299.9520 -161256.2264 -108705.4161 299.7242 64.0776 85.5865 763844.7597 -12.5901 -12.9213 PRESSURE: 2287000 -51.5904 20.8424 73.3279 20.8427 377.945 -131.556 73.3272 -131.556 81.7137 GPRESSURE: 2287000 19.83 44.4913 94.6784 32.8384 400.691 -161.11 24.9264 -152.497 59.4329 PRESSAVG: 2287000 36.8369 8.78961 36.2223 8.78957 -8.29316 -33.2282 36.2223 -33.2282 -11.552 GPRESSAVG: 2287000 37.1512 8.47279 38.2829 11.3384 -8.55643 -33.5132 34.3539 -31.7565 -11.6317 TIMING: 2287000 CPU: 7145.47, 0.00310955/step Wall: 7145.47, 0.00310955/step, 2.34339 hours remaining, 233.542969 MB of memory in use. ENERGY: 2287000 4004.4174 20437.5454 14424.9113 253.1967 -203218.8704 2641.3300 0.0000 0.0000 52365.7175 -109091.7520 300.9465 -161457.4695 -108723.3102 299.7732 136.0226 159.9847 761859.3130 5.6639 5.6543 PRESSURE: 2287200 -195.786 -19.201 76.0346 -19.2002 32.3454 209.492 76.0337 209.492 -189.757 GPRESSURE: 2287200 -332.631 32.4193 -48.3101 -58.8942 165.993 196.078 131.253 151.283 -102.669 PRESSAVG: 2287200 40.8394 22.2714 35.1547 22.2714 23.676 -75.1114 35.1547 -75.1113 20.0853 GPRESSAVG: 2287200 38.6643 22.8471 33.4226 20.8999 24.9822 -73.9787 36.1668 -75.5751 21.3404 TIMING: 2287200 CPU: 7146.09, 0.00311424/step Wall: 7146.09, 0.00311424/step, 2.34676 hours remaining, 233.542969 MB of memory in use. ENERGY: 2287200 4019.9948 20376.8570 14393.6123 264.2120 -203087.2348 2677.0736 0.0000 0.0000 52196.3430 -109159.1419 299.9731 -161355.4850 -108786.5915 299.5336 -117.7323 -89.7687 761837.9171 28.2002 28.3290 PRESSURE: 2287400 9.42236 -131.842 109.567 -131.841 -200.504 -164.273 109.568 -164.272 154.776 GPRESSURE: 2287400 -3.54367 -134.538 41.5257 -129.436 -40.7543 -99.1199 122.835 -144.006 99.6069 PRESSAVG: 2287400 -3.74672 -1.24569 36.9577 -1.24574 16.9066 -21.8583 36.9577 -21.8583 9.20495 GPRESSAVG: 2287400 -3.62229 -2.17793 36.038 -1.39364 17.4375 -22.1104 39.0307 -22.3745 8.19641 TIMING: 2287400 CPU: 7146.72, 0.0031245/step Wall: 7146.72, 0.0031245/step, 2.35431 hours remaining, 233.542969 MB of memory in use. ENERGY: 2287400 3979.7387 20427.8006 14383.8921 242.0252 -203261.8402 2927.2484 0.0000 0.0000 52287.0356 -109014.0996 300.4943 -161301.1351 -108639.0941 299.7351 -12.1017 18.4363 762492.9148 7.4549 7.3372 PRESSURE: 2287600 -3.42369 33.579 130.786 33.5791 125.197 203.737 130.786 203.737 126.797 GPRESSURE: 2287600 61.0781 -4.32337 115.905 83.9662 52.1254 133.315 75.1772 285.69 213.066 PRESSAVG: 2287600 -19.0486 21.4657 36.5387 21.4657 -5.39743 -20.2298 36.5386 -20.2297 -17.4974 GPRESSAVG: 2287600 -17.8188 21.7374 38.2033 18.6898 -7.61233 -19.8004 34.5397 -18.8118 -17.0258 TIMING: 2287600 CPU: 7147.34, 0.00313184/step Wall: 7147.34, 0.00313184/step, 2.35967 hours remaining, 233.542969 MB of memory in use. ENERGY: 2287600 4072.8549 20543.5224 14449.1243 236.8272 -203108.3329 2590.9373 0.0000 0.0000 52021.3630 -109193.7038 298.9675 -161215.0668 -108839.1681 299.9977 82.8567 108.7565 763335.7329 -13.9811 -14.1523 PRESSURE: 2287800 -248.179 -98.1998 4.95355 -98.1996 178.019 106.5 4.95274 106.501 118.049 GPRESSURE: 2287800 -99.3954 -40.5539 -11.0938 -80.2255 124.668 13.5206 -15.3197 -16.7549 112.644 PRESSAVG: 2287800 -45.0292 -17.5267 26.661 -17.5268 37.455 22.3419 26.661 22.3419 0.417743 GPRESSAVG: 2287800 -44.8251 -18.7977 25.256 -15.5105 37.8169 20.622 26.104 21.034 0.52713 TIMING: 2287800 CPU: 7147.97, 0.0031261/step Wall: 7147.97, 0.0031261/step, 2.35517 hours remaining, 233.542969 MB of memory in use. ENERGY: 2287800 4074.3690 20506.3339 14386.5454 226.2123 -203152.8456 2711.8682 0.0000 0.0000 52225.3338 -109022.1829 300.1397 -161247.5167 -108653.8769 299.5827 15.9633 45.9723 762717.5948 -2.3855 -2.1604 PRESSURE: 2288000 -254.55 -59.8904 366.606 -59.8901 -202.993 113.111 366.607 113.112 -481.581 GPRESSURE: 2288000 -285.532 -75.7272 295.076 68.6349 -59.7522 176.107 331.96 65.305 -530.279 PRESSAVG: 2288000 -35.3074 -33.9059 26.0774 -33.9058 5.01584 44.0245 26.0774 44.0245 7.35067 GPRESSAVG: 2288000 -36.0417 -33.3631 26.3719 -33.2763 5.65913 44.7578 26.1143 43.3558 7.42282 TIMING: 2288000 CPU: 7148.59, 0.00312376/step Wall: 7148.59, 0.00312376/step, 2.35324 hours remaining, 233.542969 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: 2288000 4009.3688 20489.7765 14431.4588 246.4813 -203383.2559 2520.4247 0.0000 0.0000 52396.9175 -109288.8283 301.1258 -161685.7458 -108919.6873 299.6237 -313.0412 -291.8546 764017.6062 -7.6470 -7.6533 PRESSURE: 2288200 92.7676 -36.1066 83.1721 -36.1068 41.6562 -39.775 83.1714 -39.7743 462.248 GPRESSURE: 2288200 127.988 47.6255 20.7689 -41.413 91.1889 3.36994 65.2892 -118.405 460.945 PRESSAVG: 2288200 -54.9702 -34.7641 31.2612 -34.7641 47.6584 1.35708 31.2611 1.35718 0.00194855 GPRESSAVG: 2288200 -54.5753 -33.8743 30.1076 -35.6422 46.7744 2.06464 30.989 1.55384 0.639964 TIMING: 2288200 CPU: 7149.22, 0.00311767/step Wall: 7149.22, 0.00311767/step, 2.34847 hours remaining, 233.542969 MB of memory in use. ENERGY: 2288200 3973.6675 20550.1173 14385.4082 239.7659 -203221.6044 2532.0643 0.0000 0.0000 52122.7154 -109417.8658 299.5500 -161540.5812 -109052.8708 299.4243 198.8905 226.7072 763374.4826 -2.4366 -2.3870 LDB: ============= START OF LOAD BALANCING ============== 7161.7 LDB: ============== END OF LOAD BALANCING =============== 7161.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7161.7 LDB: ============= START OF LOAD BALANCING ============== 7162.01 LDB: Largest compute 7069 load 0.030851 is 15.8% of average load 0.195031 LDB: Average compute 0.004402 is 2.3% of average load 0.195031 LDB: TIME 7162.01 LOAD: AVG 0.195031 MAX 0.217662 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.594 MB LDB: TIME 7162.01 LOAD: AVG 0.195031 MAX 0.217662 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.664 MB LDB: TIME 7162.01 LOAD: AVG 0.195031 MAX 0.217662 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.664 MB LDB: ============== END OF LOAD BALANCING =============== 7162.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7162.02 PRESSURE: 2288400 20.661 51.3939 -95.5092 51.3945 161.459 -111.164 -95.5089 -111.163 -50.5233 GPRESSURE: 2288400 203.113 -61.3992 -76.3129 49.938 116.628 -42.3578 20.9591 -120.814 -91.9693 PRESSAVG: 2288400 -1.98104 -29.8843 38.8585 -29.8843 37.0038 -0.0797299 38.8586 -0.0797593 4.19802 GPRESSAVG: 2288400 -2.1058 -29.8251 40.797 -31.1438 37.4499 0.490949 40.1771 0.325107 3.25058 TIMING: 2288400 CPU: 7149.85, 0.0031884/step Wall: 7149.85, 0.0031884/step, 2.40157 hours remaining, 234.812500 MB of memory in use. ENERGY: 2288400 4001.3921 20458.5035 14436.8221 276.0052 -202984.1062 2562.3925 0.0000 0.0000 51967.9644 -109281.0263 298.6606 -161248.9907 -108919.2383 298.9161 43.8654 75.9239 762969.3622 13.0736 12.8649 PRESSURE: 2288600 -201.188 -53.846 -34.3431 -53.846 -21.3639 179.883 -34.3439 179.883 20.9902 GPRESSURE: 2288600 -164.338 10.1011 22.0735 41.2084 -16.615 150.186 -84.2305 213.522 69.2966 PRESSAVG: 2288600 -44.3506 19.2301 -0.626767 19.2302 -1.3707 22.731 -0.626757 22.731 -1.7228 GPRESSAVG: 2288600 -44.5014 17.7778 -0.74005 21.4252 -2.05852 22.4989 -3.73198 23.5105 -0.643854 TIMING: 2288600 CPU: 7150.48, 0.00313191/step Wall: 7150.48, 0.00313191/step, 2.35885 hours remaining, 235.015625 MB of memory in use. ENERGY: 2288600 3948.1673 20503.4816 14345.0088 246.2228 -203143.7383 2626.4343 0.0000 0.0000 52091.7616 -109382.6618 299.3721 -161474.4235 -109017.9277 299.4131 -67.1874 -37.2188 762506.8498 -15.8147 -15.7346 PRESSURE: 2288800 -259.266 -78.8271 252.298 -78.8272 -209.899 -256.052 252.298 -256.053 91.5904 GPRESSURE: 2288800 -199.814 -89.088 154.631 -36.9123 -193.037 -275.084 211.612 -294.97 97.1513 PRESSAVG: 2288800 -16.4766 75.8287 30.5611 75.8288 33.3795 -8.82237 30.5611 -8.82242 6.64828 GPRESSAVG: 2288800 -15.9889 76.9697 30.0408 73.7254 33.9897 -9.29746 32.445 -8.09975 5.53925 TIMING: 2288800 CPU: 7151.11, 0.00312448/step Wall: 7151.11, 0.00312448/step, 2.35308 hours remaining, 235.015625 MB of memory in use. ENERGY: 2288800 3891.1907 20194.0561 14378.5506 246.5062 -202996.4749 2469.0897 0.0000 0.0000 52243.8054 -109573.2763 300.2459 -161817.0817 -109203.5545 299.4520 -125.8581 -98.5665 761882.9760 7.8504 7.8467 PRESSURE: 2289000 -143.156 -82.1348 64.7515 -82.1355 -44.4452 -35.0627 64.752 -35.0623 183.403 GPRESSURE: 2289000 -86.9555 -20.0066 113.018 -148.316 -37.954 -1.73118 121.908 -72.0483 188.277 PRESSAVG: 2289000 -26.1126 -6.31393 4.59555 -6.31388 77.6598 12.285 4.59554 12.2851 21.0895 GPRESSAVG: 2289000 -26.741 -6.22969 5.483 -5.90842 78.6572 12.5958 6.02665 9.25151 20.2147 TIMING: 2289000 CPU: 7151.73, 0.00312133/step Wall: 7151.73, 0.00312133/step, 2.35053 hours remaining, 235.015625 MB of memory in use. ENERGY: 2289000 3964.4040 20667.7459 14469.9042 250.2701 -204042.0194 2929.6051 0.0000 0.0000 52174.0386 -109586.0514 299.8449 -161760.0900 -109222.4115 298.9568 -1.3994 21.1224 760335.3557 24.2122 24.0436 PRESSURE: 2289200 -323.79 -111.673 83.128 -111.674 -208.058 -183.59 83.128 -183.59 -83.354 GPRESSURE: 2289200 -266.809 -138.536 178.265 -5.10162 -293.445 -179.122 68.372 -80.3779 29.04 PRESSAVG: 2289200 30.1227 50.3407 21.1405 50.3407 -23.613 -16.8157 21.1405 -16.8157 23.0848 GPRESSAVG: 2289200 29.4704 51.6985 20.9472 49.6719 -24.3731 -16.2393 19.3652 -15.7257 24.6135 TIMING: 2289200 CPU: 7152.35, 0.0031178/step Wall: 7152.35, 0.0031178/step, 2.3477 hours remaining, 235.015625 MB of memory in use. ENERGY: 2289200 3972.1260 20581.5028 14369.6319 231.5976 -203297.4664 2578.5895 0.0000 0.0000 52141.9930 -109422.0255 299.6608 -161564.0185 -109063.9373 299.1818 -205.0674 -177.0713 764358.6882 9.8649 9.9036 PRESSURE: 2289400 -37.9491 91.913 -94.3484 91.913 -158.731 -124.469 -94.3473 -124.469 172.138 GPRESSURE: 2289400 -71.8665 -8.95069 -123.599 177.439 -95.5893 -169.309 -30.9703 -1.52732 231.704 PRESSAVG: 2289400 -32.8059 27.5012 -15.8139 27.5012 38.2095 -29.9506 -15.8139 -29.9507 -20.5482 GPRESSAVG: 2289400 -32.2575 23.1637 -15.0869 31.7648 37.4802 -30.1721 -15.3751 -28.1236 -20.9275 TIMING: 2289400 CPU: 7152.98, 0.00312055/step Wall: 7152.98, 0.00312055/step, 2.3496 hours remaining, 235.015625 MB of memory in use. ENERGY: 2289400 3958.7059 20561.2441 14339.6972 239.1010 -203143.5602 2588.5287 0.0000 0.0000 52152.7385 -109303.5450 299.7225 -161456.2835 -108933.5621 299.5249 -8.1807 21.4159 763585.4869 -5.0482 -5.2350 PRESSURE: 2289600 -111.893 -15.7692 38.1122 -15.768 -41.7792 117.25 38.1128 117.25 271.416 GPRESSURE: 2289600 10.6938 -22.1649 68.2826 90.4828 -62.3759 61.0678 -10.3618 92.4883 261.916 PRESSAVG: 2289600 6.19988 15.514 44.1812 15.514 -35.1195 7.45535 44.1812 7.4553 -3.82871 GPRESSAVG: 2289600 7.34003 17.0037 42.3808 15.4171 -34.4272 7.90616 42.3276 4.23726 -5.54683 TIMING: 2289600 CPU: 7153.6, 0.00311598/step Wall: 7153.6, 0.00311598/step, 2.34598 hours remaining, 235.015625 MB of memory in use. ENERGY: 2289600 4048.6962 20506.3196 14402.1211 247.5443 -203158.4757 2817.5847 0.0000 0.0000 52138.9823 -108997.2275 299.6434 -161136.2098 -108627.8997 299.7331 39.2482 70.0779 763789.0201 -10.9161 -10.8780 PRESSURE: 2289800 334.262 -61.2612 37.476 -61.2615 264.919 323.601 37.4759 323.601 30.1759 GPRESSURE: 2289800 326.935 -77.2451 110.442 -113.559 376.451 435.676 105.621 255.624 12.8458 PRESSAVG: 2289800 2.91261 2.17013 21.7809 2.17013 -5.39078 41.5548 21.7808 41.5548 -6.03313 GPRESSAVG: 2289800 1.33247 2.0718 21.4482 -1.05501 -5.89663 40.9572 23.727 41.6284 -4.23117 TIMING: 2289800 CPU: 7154.22, 0.00309398/step Wall: 7154.22, 0.00309398/step, 2.32925 hours remaining, 235.015625 MB of memory in use. ENERGY: 2289800 3877.0083 20625.6637 14425.7496 236.3966 -203632.1021 3084.9144 0.0000 0.0000 52328.5183 -109053.8512 300.7327 -161382.3695 -108688.1076 300.0670 209.7854 238.7438 762135.8842 -2.8371 -2.9318 PRESSURE: 2290000 109.06 -173.271 -15.2865 -173.271 2.95021 -173.76 -15.2858 -173.76 -337.862 GPRESSURE: 2290000 160.631 -78.5678 7.33183 -189.518 -3.76179 -85.4269 68.1404 -125.37 -285.354 PRESSAVG: 2290000 18.3827 -0.694995 49.8097 -0.69498 72.8533 3.4598 49.8097 3.4598 5.32787 GPRESSAVG: 2290000 19.491 0.851625 51.3767 0.0601928 72.9156 3.98183 48.7911 6.67217 4.17769 TIMING: 2290000 CPU: 7154.84, 0.00309322/step Wall: 7154.84, 0.00309322/step, 2.32851 hours remaining, 235.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2290000 3993.5865 20630.8322 14410.9553 248.5014 -203182.8357 2768.0483 0.0000 0.0000 51824.2427 -109306.6693 297.8346 -161130.9120 -108942.4075 299.9537 -75.2839 -42.8281 761617.3831 32.1879 32.1948 PRESSURE: 2290200 20.9028 128.693 421.686 128.693 -65.9043 -31.6093 421.687 -31.6086 -99.0624 GPRESSURE: 2290200 -17.4937 204.901 380.363 117.685 58.3606 -49.0508 465.305 -19.7694 -105.656 PRESSAVG: 2290200 27.2993 3.9009 -22.2562 3.90088 -33.2082 -16.0522 -22.2562 -16.0523 11.7792 GPRESSAVG: 2290200 27.151 4.38696 -23.2049 5.17252 -33.3564 -17.4281 -20.9915 -16.3892 11.6949 TIMING: 2290200 CPU: 7155.46, 0.00310411/step Wall: 7155.46, 0.00310411/step, 2.33653 hours remaining, 235.015625 MB of memory in use. ENERGY: 2290200 3980.0021 20562.2586 14378.1050 247.7039 -203269.0392 2731.4380 0.0000 0.0000 51933.5958 -109435.9358 298.4631 -161369.5316 -109077.4268 298.8335 -48.0213 -21.5963 762472.4203 1.9568 1.8298 PRESSURE: 2290400 54.0994 128.364 58.8333 128.364 55.9754 89.9406 58.833 89.9412 -34.4454 GPRESSURE: 2290400 39.7465 160.788 64.3161 170.771 88.6017 1.34648 78.5259 101.585 19.7946 PRESSAVG: 2290400 -21.8292 -10.1174 64.9798 -10.1173 24.9894 40.9236 64.9798 40.9236 6.06982 GPRESSAVG: 2290400 -22.2197 -9.82898 63.4301 -10.5101 25.6435 39.8661 64.0157 39.1965 6.06257 TIMING: 2290400 CPU: 7156.08, 0.00312426/step Wall: 7156.08, 0.00312426/step, 2.35152 hours remaining, 235.015625 MB of memory in use. ENERGY: 2290400 4123.4014 20492.5357 14330.4426 236.0270 -203088.6432 2640.4268 0.0000 0.0000 51853.3146 -109412.4952 298.0017 -161265.8097 -109054.6359 299.2565 25.2098 49.3810 762209.3240 3.0767 3.1621 PRESSURE: 2290600 -253.054 16.309 33.1859 16.3086 -209.138 -15.8557 33.1861 -15.8551 -291.143 GPRESSURE: 2290600 -92.9779 -76.5668 18.5182 45.8901 -291.099 4.23419 -19.5003 26.487 -287.301 PRESSAVG: 2290600 25.184 -7.95148 44.6794 -7.95145 -35.8964 -21.6285 44.6794 -21.6286 -9.88406 GPRESSAVG: 2290600 25.4896 -9.15746 44.8062 -9.88698 -36.0414 -20.7883 44.482 -20.2626 -10.2652 TIMING: 2290600 CPU: 7156.71, 0.00310755/step Wall: 7156.71, 0.00310755/step, 2.33878 hours remaining, 235.015625 MB of memory in use. ENERGY: 2290600 3991.2083 20744.5794 14262.2067 249.2707 -203297.2387 2535.5763 0.0000 0.0000 52223.5876 -109290.8098 300.1297 -161514.3973 -108937.6660 299.2742 -251.1114 -223.7928 764094.4711 -6.8655 -6.9390 PRESSURE: 2290800 -251.893 -0.586408 99.7254 -0.587072 -453.522 -85.585 99.7254 -85.585 -122.152 GPRESSURE: 2290800 -219.265 169.498 132.592 47.9532 -387.561 69.5761 85.0952 -212.106 -137.082 PRESSAVG: 2290800 10.5893 23.3516 9.20483 23.3517 -13.2316 34.5715 9.20485 34.5714 -26.4213 GPRESSAVG: 2290800 9.93734 22.9099 8.9804 23.1526 -12.0327 35.5141 8.35654 33.5868 -26.7592 TIMING: 2290800 CPU: 7157.33, 0.00312381/step Wall: 7157.33, 0.00312381/step, 2.35084 hours remaining, 235.015625 MB of memory in use. ENERGY: 2290800 4138.6310 20493.1597 14382.1692 233.8310 -203355.6164 2850.9669 0.0000 0.0000 52002.6787 -109254.1798 298.8601 -161256.8585 -108881.3980 299.4634 -275.8558 -247.9692 764128.3308 -9.6878 -9.6182 PRESSURE: 2291000 102.852 67.3944 68.8021 67.3941 -120.557 41.4732 68.8024 41.4733 96.7951 GPRESSURE: 2291000 221.014 47.3981 48.4911 145.144 -158.806 50.8236 54.9595 126.677 104.54 PRESSAVG: 2291000 -25.532 -20.7976 -1.9788 -20.7976 -11.3091 -41.084 -1.97879 -41.084 -21.4877 GPRESSAVG: 2291000 -24.8552 -20.1445 -0.594629 -19.7894 -12.5734 -41.7324 -2.19843 -42.0846 -21.0184 TIMING: 2291000 CPU: 7157.95, 0.00310879/step Wall: 7157.95, 0.00310879/step, 2.33936 hours remaining, 235.015625 MB of memory in use. ENERGY: 2291000 3911.4123 20626.8167 14377.9545 247.4260 -203377.1980 2767.3925 0.0000 0.0000 52149.2682 -109296.9279 299.7026 -161446.1961 -108941.6094 299.6944 26.3634 55.5827 763129.7200 -19.4429 -19.4823 PRESSURE: 2291200 112.684 -237.368 219.69 -237.367 65.9721 182.999 219.69 182.999 4.49604 GPRESSURE: 2291200 79.7622 -197.404 257.868 -245.648 130.907 137.044 203.794 158.137 47.7949 PRESSAVG: 2291200 46.0772 -8.37404 -19.5409 -8.37407 -8.72076 7.64299 -19.5409 7.643 29.8994 GPRESSAVG: 2291200 45.2389 -8.83863 -20.3756 -11.2011 -8.05816 8.43332 -16.203 8.60893 30.1152 TIMING: 2291200 CPU: 7158.57, 0.00310366/step Wall: 7158.57, 0.00310366/step, 2.33533 hours remaining, 235.015625 MB of memory in use. ENERGY: 2291200 4008.1225 20543.2236 14393.9467 244.2473 -203067.8802 2593.3736 0.0000 0.0000 52146.8915 -109138.0750 299.6889 -161284.9666 -108766.1780 299.4891 61.0509 86.1546 761305.9539 22.4186 22.4320 PRESSURE: 2291400 -159.875 78.9335 -70.9926 78.9336 161.282 122.311 -70.9934 122.31 -51.7124 GPRESSURE: 2291400 -53.489 -21.3071 -17.9935 68.6647 166.409 84.4945 -2.28818 -7.16892 -86.0917 PRESSAVG: 2291400 -17.6025 15.6094 55.0662 15.6095 29.1073 10.406 55.0662 10.4061 3.72073 GPRESSAVG: 2291400 -17.1126 17.275 56.5806 18.2268 29.8196 9.54549 52.0046 8.06803 3.07155 TIMING: 2291400 CPU: 7159.2, 0.00312617/step Wall: 7159.2, 0.00312617/step, 2.3521 hours remaining, 235.015625 MB of memory in use. ENERGY: 2291400 3996.7556 20712.7133 14376.2514 244.9138 -203044.7163 2653.6765 0.0000 0.0000 51998.6125 -109061.7932 298.8367 -161060.4057 -108691.1621 300.2016 -16.7686 8.9427 763345.2798 5.0752 5.2595 PRESSURE: 2291600 103.647 9.51417 -71.5597 9.51312 55.3044 131.013 -71.5596 131.014 138.913 GPRESSURE: 2291600 97.2481 -11.4786 -182.04 63.5208 137.097 120.912 -26.6608 157.138 121.161 PRESSAVG: 2291600 -29.0726 11.6602 48.861 11.6602 24.2447 11.8932 48.861 11.8933 0.555601 GPRESSAVG: 2291600 -29.2664 9.04685 48.7378 13.7446 24.0081 12.6078 47.5623 13.0773 0.638127 TIMING: 2291600 CPU: 7159.82, 0.00311068/step Wall: 7159.82, 0.00311068/step, 2.34027 hours remaining, 235.015625 MB of memory in use. ENERGY: 2291600 3977.5066 20518.5402 14347.7163 245.7354 -203650.6903 3054.2485 0.0000 0.0000 52439.9610 -109066.9825 301.3732 -161506.9435 -108691.4719 300.4184 99.2884 118.5019 761963.1757 -1.4241 -1.5401 PRESSURE: 2291800 24.2695 -274.317 49.3136 -274.317 90.5614 93.1843 49.3148 93.1846 257.646 GPRESSURE: 2291800 -0.373488 -194.784 66.1264 -376.408 203.578 51.3402 -93.3104 17.1884 238.416 PRESSAVG: 2291800 -20.9692 -20.636 55.5676 -20.6361 -17.3272 -39.7918 55.5676 -39.7918 -18.6854 GPRESSAVG: 2291800 -21.605 -20.3819 56.0514 -20.4528 -17.3683 -40.6592 55.0578 -38.9304 -18.7306 TIMING: 2291800 CPU: 7160.44, 0.00311509/step Wall: 7160.44, 0.00311509/step, 2.34341 hours remaining, 235.015625 MB of memory in use. ENERGY: 2291800 3986.3658 20583.6263 14304.5960 250.2050 -203237.4472 2713.4194 0.0000 0.0000 52193.0418 -109206.1929 299.9541 -161399.2347 -108842.1920 299.6765 124.1590 147.2069 763558.4522 -18.9939 -19.2346 PRESSURE: 2292000 31.9989 -174.097 -159.25 -174.097 -334.863 125.319 -159.249 125.319 -57.429 GPRESSURE: 2292000 -19.2304 -50.1636 -99.1971 -127.706 -171.258 162.482 -118.96 180.832 -88.6244 PRESSAVG: 2292000 -24.5599 31.466 15.9528 31.466 46.2019 107.712 15.9528 107.712 -9.56534 GPRESSAVG: 2292000 -24.9494 32.8731 15.2189 31.1617 45.5065 109.865 17.5612 107.81 -8.31284 TIMING: 2292000 CPU: 7161.07, 0.00313084/step Wall: 7161.07, 0.00313084/step, 2.35509 hours remaining, 235.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2292000 3982.4222 20567.1444 14359.7209 242.7477 -203100.1030 2426.0525 0.0000 0.0000 52356.3524 -109165.6629 300.8927 -161522.0154 -108792.6559 300.2471 -120.0977 -93.0376 762726.7500 4.0256 4.0814 PRESSURE: 2292200 -276.198 206.078 132.844 206.079 -323.604 -113.277 132.845 -113.277 108.488 GPRESSURE: 2292200 -194.198 223.767 160.796 121.085 -326.612 -162.281 114.206 -127.153 113.436 PRESSAVG: 2292200 17.4247 28.7343 -23.1347 28.7343 -41.8957 63.5856 -23.1347 63.5856 15.7209 GPRESSAVG: 2292200 18.1473 28.1429 -21.9317 27.0051 -41.4868 61.2567 -22.907 62.655 14.629 TIMING: 2292200 CPU: 7161.69, 0.00310803/step Wall: 7161.69, 0.00310803/step, 2.33776 hours remaining, 235.015625 MB of memory in use. ENERGY: 2292200 4014.4234 20642.2608 14384.7268 250.1133 -203120.0787 2677.2701 0.0000 0.0000 52168.9573 -108982.3271 299.8157 -161151.2844 -108618.5712 300.2049 -163.7711 -135.7913 761718.9045 -2.9167 -2.9035 LDB: ============= START OF LOAD BALANCING ============== 7174.17 LDB: ============== END OF LOAD BALANCING =============== 7174.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7174.17 LDB: ============= START OF LOAD BALANCING ============== 7174.48 LDB: Largest compute 7069 load 0.032530 is 16.7% of average load 0.195157 LDB: Average compute 0.004392 is 2.3% of average load 0.195157 LDB: TIME 7174.48 LOAD: AVG 0.195157 MAX 0.215417 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.078 MB LDB: TIME 7174.48 LOAD: AVG 0.195157 MAX 0.215417 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.078 MB LDB: TIME 7174.48 LOAD: AVG 0.195157 MAX 0.215417 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.078 MB LDB: ============== END OF LOAD BALANCING =============== 7174.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7174.49 PRESSURE: 2292400 -107.34 267.144 32.8625 267.144 64.6155 154.525 32.8639 154.525 -440.355 GPRESSURE: 2292400 -5.81782 261.259 -83.5243 277.094 51.7151 151.828 -11.7272 99.1242 -437.178 PRESSAVG: 2292400 43.125 19.3875 -42.8155 19.3875 -30.8394 -23.0066 -42.8155 -23.0066 -25.8372 GPRESSAVG: 2292400 42.6424 20.5331 -45.4352 21.0408 -30.9358 -22.6224 -41.0323 -23.7279 -24.9962 TIMING: 2292400 CPU: 7162.32, 0.0031654/step Wall: 7162.32, 0.0031654/step, 2.38074 hours remaining, 234.253906 MB of memory in use. ENERGY: 2292400 4080.2221 20430.0255 14421.9497 240.7216 -203149.6200 2603.3569 0.0000 0.0000 52252.9452 -109120.3990 300.2984 -161373.3442 -108769.1109 299.7537 -161.0263 -130.4268 761689.6784 -4.5172 -4.4299 PRESSURE: 2292600 252.113 168.921 228.844 168.921 -97.7078 64.8604 228.844 64.8593 243.375 GPRESSURE: 2292600 235.147 223.56 348.201 62.4966 9.31544 98.9986 147.606 -40.8753 246.403 PRESSAVG: 2292600 -21.5286 32.8776 -10.7631 32.8776 24.7482 50.3362 -10.763 50.3361 8.41184 GPRESSAVG: 2292600 -20.9425 34.0911 -8.51634 31.8687 25.1221 49.833 -11.4202 51.0929 6.57861 TIMING: 2292600 CPU: 7162.95, 0.00312132/step Wall: 7162.95, 0.00312132/step, 2.34741 hours remaining, 234.253906 MB of memory in use. ENERGY: 2292600 3920.0137 20531.7303 14382.7343 278.3514 -203465.8310 2988.8327 0.0000 0.0000 52114.1109 -109250.0577 299.5005 -161364.1686 -108898.6179 299.8840 132.5935 163.6218 760789.4839 3.8772 3.5861 PRESSURE: 2292800 204.452 -136.825 -9.92686 -136.824 416.318 152.827 -9.92646 152.827 41.7551 GPRESSURE: 2292800 233.546 -107.701 35.2414 -148.264 448.946 131.499 -83.7841 143.803 64.29 PRESSAVG: 2292800 -51.9516 95.9269 17.479 95.9269 1.12046 -34.9929 17.479 -34.993 3.70372 GPRESSAVG: 2292800 -51.2514 93.3085 17.4455 96.7298 0.0760662 -34.6047 16.4896 -34.3089 4.31307 TIMING: 2292800 CPU: 7163.57, 0.00312085/step Wall: 7163.57, 0.00312085/step, 2.34688 hours remaining, 234.253906 MB of memory in use. ENERGY: 2292800 3882.4834 20610.1507 14413.7337 249.9797 -203038.3469 2777.0368 0.0000 0.0000 52022.2339 -109082.7287 298.9725 -161104.9626 -108719.0398 299.4221 220.8416 248.9272 761758.8785 -15.7091 -15.6208 PRESSURE: 2293000 -226.651 213.216 79.6112 213.217 27.706 96.2315 79.611 96.2314 120.84 GPRESSURE: 2293000 -205.326 92.1465 36.9171 128.468 112.399 20.3853 124.858 122.27 100.363 PRESSAVG: 2293000 -52.2105 -20.2501 31.3425 -20.2501 51.57 -4.72535 31.3425 -4.72525 -1.9645 GPRESSAVG: 2293000 -52.6949 -17.6466 30.2873 -22.8568 51.6475 -5.06943 31.7906 -5.27763 -2.19391 TIMING: 2293000 CPU: 7164.19, 0.00310486/step Wall: 7164.19, 0.00310486/step, 2.33468 hours remaining, 234.253906 MB of memory in use. ENERGY: 2293000 3984.8759 20401.9160 14277.6647 256.3030 -203135.8634 2747.7447 0.0000 0.0000 52190.9363 -109276.4230 299.9420 -161467.3593 -108911.4811 299.9426 -26.0352 2.4789 762341.5774 -0.8683 -1.0804 PRESSURE: 2293200 293.805 68.5157 -20.6268 68.5159 249.212 -92.7199 -20.6263 -92.7198 41.9341 GPRESSURE: 2293200 342.444 57.7902 -76.7039 72.6838 255.12 -73.1687 48.1074 25.3298 65.9237 PRESSAVG: 2293200 2.22595 17.1906 34.1987 17.1906 27.6118 -32.8287 34.1987 -32.8286 -2.30816 GPRESSAVG: 2293200 0.810816 13.0093 33.6865 19.5454 29.0747 -32.6984 34.1412 -34.151 -2.05428 TIMING: 2293200 CPU: 7164.82, 0.00311136/step Wall: 7164.82, 0.00311136/step, 2.3394 hours remaining, 234.253906 MB of memory in use. ENERGY: 2293200 4028.7469 20497.9470 14364.8865 243.6430 -203658.0524 3012.8762 0.0000 0.0000 51937.1003 -109572.8525 298.4832 -161509.9527 -109212.3870 299.1494 194.9839 221.1627 762061.4730 9.1765 9.2771 PRESSURE: 2293400 -137.217 44.6743 -175.41 44.6755 89.7454 -32.133 -175.41 -32.1335 -269.192 GPRESSURE: 2293400 -71.2687 56.4149 -109.08 78.3547 74.2976 37.882 -101.388 -77.3248 -244.747 PRESSAVG: 2293400 4.0843 30.4649 -41.9313 30.4649 37.737 -23.5636 -41.9312 -23.5636 -0.398659 GPRESSAVG: 2293400 5.33877 32.9668 -39.7338 29.2265 36.9481 -23.2978 -41.6034 -21.4876 -1.08743 TIMING: 2293400 CPU: 7165.44, 0.00312693/step Wall: 7165.44, 0.00312693/step, 2.35093 hours remaining, 234.253906 MB of memory in use. ENERGY: 2293400 3953.1607 20570.2625 14368.7260 251.3098 -203323.5790 2759.8329 0.0000 0.0000 51926.7431 -109493.5441 298.4237 -161420.2872 -109132.9802 299.2487 -105.5544 -80.5728 761913.2184 13.8076 13.7332 PRESSURE: 2293600 99.0505 20.71 77.3972 20.71 81.9947 -11.4208 77.3971 -11.4201 -146.4 GPRESSURE: 2293600 70.4052 88.5285 88.0576 61.3628 145.966 36.3373 -98.04 -34.5325 -113.845 PRESSAVG: 2293600 -13.7437 52.1332 -15.8513 52.1331 26.4656 35.8051 -15.8513 35.8051 -4.57262 GPRESSAVG: 2293600 -14.1242 54.5991 -16.811 51.6499 25.9941 36.2784 -15.9665 33.0535 -4.15397 TIMING: 2293600 CPU: 7166.07, 0.00312183/step Wall: 7166.07, 0.00312183/step, 2.34692 hours remaining, 234.253906 MB of memory in use. ENERGY: 2293600 3984.6276 20402.8866 14372.3588 259.8294 -203465.5536 2765.5643 0.0000 0.0000 51947.2634 -109733.0235 298.5416 -161680.2869 -109359.7328 298.5974 11.5485 34.1754 763048.8455 2.7164 2.5720 PRESSURE: 2293800 -336.464 -85.239 15.6799 -85.2389 360.486 -116.214 15.6814 -116.213 252.311 GPRESSURE: 2293800 -244.681 -127.332 -21.6587 -9.57535 329.123 -59.4956 201.102 -42.822 280.893 PRESSAVG: 2293800 -32.7041 -4.45243 -54.3063 -4.45243 12.3517 -54.9198 -54.3063 -54.9199 -18.4066 GPRESSAVG: 2293800 -32.6735 -5.60232 -56.8384 -4.29056 12.7376 -55.9624 -55.2538 -54.3659 -18.3456 TIMING: 2293800 CPU: 7166.69, 0.00313994/step Wall: 7166.69, 0.00313994/step, 2.36036 hours remaining, 234.253906 MB of memory in use. ENERGY: 2293800 3921.4786 20314.8854 14412.3664 250.1926 -203182.1480 2851.9736 0.0000 0.0000 51677.6479 -109753.6035 296.9922 -161431.2514 -109394.7187 298.1614 92.1112 121.7783 762935.7694 -12.9197 -12.7605 PRESSURE: 2294000 44.9795 -290.494 -101.249 -290.494 -153.454 106.262 -101.249 106.261 -93.4799 GPRESSURE: 2294000 155.467 -182.567 -143.343 -218.498 -175.923 187.346 34.3246 123.028 -112.986 PRESSAVG: 2294000 9.10079 -36.6107 -15.4188 -36.6108 -13.6166 -40.6686 -15.4188 -40.6686 -9.67023 GPRESSAVG: 2294000 9.77361 -38.9084 -13.2241 -35.5539 -13.8814 -41.6165 -15.8292 -40.0169 -10.4251 TIMING: 2294000 CPU: 7167.32, 0.00312477/step Wall: 7167.32, 0.00312477/step, 2.34878 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2294000 4088.0996 20456.7025 14391.0564 252.7401 -203093.2704 2548.9180 0.0000 0.0000 51478.3364 -109877.4175 295.8467 -161355.7539 -109523.9301 297.9472 -67.3181 -44.4808 761510.8086 -4.7287 -4.8443 PRESSURE: 2294200 70.0529 -82.2304 70.8793 -82.231 -342.859 -140.294 70.8794 -140.294 341.651 GPRESSURE: 2294200 58.8411 -101.57 118.272 -71.7032 -238.13 -225.287 0.601875 -3.21965 337.372 PRESSAVG: 2294200 -1.85927 -34.8346 1.50277 -34.8348 5.03281 1.90728 1.50278 1.90728 7.64725 GPRESSAVG: 2294200 -3.47575 -35.108 4.31095 -35.8038 5.88231 4.11475 0.735347 1.02294 8.69465 TIMING: 2294200 CPU: 7167.94, 0.00312556/step Wall: 7167.94, 0.00312556/step, 2.3492 hours remaining, 234.253906 MB of memory in use. ENERGY: 2294200 3920.7574 20235.3747 14438.2799 254.2052 -203288.4082 2463.1786 0.0000 0.0000 51973.0205 -110003.5918 298.6897 -161976.6123 -109628.6006 297.5608 22.9485 52.6944 760796.1931 3.6069 3.7004 PRESSURE: 2294400 299.246 8.29983 16.019 8.29954 40.8475 7.18087 16.0192 7.18172 68.3914 GPRESSURE: 2294400 271.835 -32.8416 -7.68926 116.271 127.65 -19.0434 37.5661 -54.8766 89.7361 PRESSAVG: 2294400 39.6143 -9.77407 -7.30222 -9.77411 28.2096 -27.2895 -7.30215 -27.2895 21.8982 GPRESSAVG: 2294400 39.2895 -10.6115 -9.62911 -6.7146 28.7652 -28.1507 -6.69205 -27.757 21.4147 TIMING: 2294400 CPU: 7168.57, 0.00312494/step Wall: 7168.57, 0.00312494/step, 2.34856 hours remaining, 234.253906 MB of memory in use. ENERGY: 2294400 3963.6723 20361.6507 14362.0689 223.3559 -203475.4661 2788.6169 0.0000 0.0000 51943.4042 -109832.6972 298.5195 -161776.1014 -109472.5618 298.3168 136.1617 163.0735 761393.1298 29.9073 29.8231 PRESSURE: 2294600 -35.0854 -71.0048 -234.401 -71.0056 260.677 68.432 -234.4 68.4321 54.7191 GPRESSURE: 2294600 39.7633 -50.5336 -148.409 -11.9324 183.088 82.7288 -152.311 43.8359 124.711 PRESSAVG: 2294600 -24.4847 -66.9405 -34.2992 -66.9405 32.316 -11.5594 -34.2992 -11.5595 8.06485 GPRESSAVG: 2294600 -22.606 -62.3627 -32.8247 -69.1821 30.7013 -12.1877 -32.838 -11.5615 8.00304 TIMING: 2294600 CPU: 7169.19, 0.00310734/step Wall: 7169.19, 0.00310734/step, 2.33516 hours remaining, 234.253906 MB of memory in use. ENERGY: 2294600 3930.1433 20711.0858 14361.8946 264.9545 -203498.5242 2831.8874 0.0000 0.0000 51613.4530 -109785.1056 296.6232 -161398.5586 -109436.0031 298.0727 93.4369 115.8542 762022.1838 5.2987 5.3661 PRESSURE: 2294800 -40.2024 -158.207 -1.35191 -158.206 171.723 -73.5657 -1.35124 -73.5656 286.518 GPRESSURE: 2294800 -53.4175 -150.979 -13.3572 -180.012 266.383 -120.968 -8.2516 -24.851 282.577 PRESSAVG: 2294800 23.6454 -55.5955 -31.1299 -55.5955 15.0724 -8.13898 -31.1299 -8.13895 8.548 GPRESSAVG: 2294800 22.5955 -57.8815 -30.619 -55.8873 17.527 -6.97632 -32.4733 -6.6594 7.05797 TIMING: 2294800 CPU: 7169.81, 0.00312374/step Wall: 7169.81, 0.00312374/step, 2.34732 hours remaining, 234.253906 MB of memory in use. ENERGY: 2294800 3922.2150 20568.8120 14347.9555 251.8143 -203545.3467 2755.5392 0.0000 0.0000 51910.4819 -109788.5288 298.3303 -161699.0107 -109421.8644 298.7006 139.3464 165.1808 761319.7396 15.7553 15.7268 PRESSURE: 2295000 78.5567 -242.858 -20.5544 -242.858 397.012 17.6375 -20.5549 17.6378 634.827 GPRESSURE: 2295000 54.8119 -198.315 -85.4364 -169.295 462.39 52.3663 -11.6117 -26.0131 669.039 PRESSAVG: 2295000 -21.7207 -46.6972 -8.26723 -46.6972 -1.03383 -1.01913 -8.26722 -1.0191 -13.349 GPRESSAVG: 2295000 -21.9807 -45.2981 -10.4439 -47.219 -3.1701 -2.85118 -7.44071 -0.915567 -11.1083 TIMING: 2295000 CPU: 7170.44, 0.00312059/step Wall: 7170.44, 0.00312059/step, 2.34478 hours remaining, 234.253906 MB of memory in use. ENERGY: 2295000 3921.0012 20670.5924 14392.7992 245.6707 -204003.9291 3056.5086 0.0000 0.0000 52009.4761 -109707.8808 298.8992 -161717.3569 -109351.2909 298.5969 370.1322 395.4137 760043.8248 -12.0345 -12.0864 PRESSURE: 2295200 -115.545 -138.324 197.031 -138.323 -409.151 -2.96465 197.031 -2.96443 124.988 GPRESSURE: 2295200 -20.1128 -84.9333 164.859 -97.0158 -392.664 -34.2801 181.064 62.9481 108.211 PRESSAVG: 2295200 -3.44341 -79.3048 22.887 -79.3048 -20.7263 -42.8483 22.887 -42.8483 39.7869 GPRESSAVG: 2295200 -2.18559 -80.4442 24.1927 -80.123 -19.6254 -43.2252 23.8187 -43.4429 37.793 TIMING: 2295200 CPU: 7171.06, 0.00311833/step Wall: 7171.06, 0.00311833/step, 2.3429 hours remaining, 234.253906 MB of memory in use. ENERGY: 2295200 4050.0047 20372.8359 14396.2238 244.5448 -203270.4367 2587.7827 0.0000 0.0000 51918.5424 -109700.5024 298.3766 -161619.0448 -109341.2774 298.2303 -133.2364 -101.5219 762992.2254 5.2057 5.3273 PRESSURE: 2295400 -394.091 -188.948 18.179 -188.947 -238.804 227.837 18.1796 227.837 -249.204 GPRESSURE: 2295400 -270.866 -92.2204 114.895 -165.361 -356.746 246.35 -86.7485 169.953 -178.331 PRESSAVG: 2295400 15.3822 30.7829 25.3875 30.7829 5.16101 -24.8682 25.3874 -24.8683 -35.2922 GPRESSAVG: 2295400 14.5296 31.3099 24.8009 31.8722 4.79781 -25.5863 22.4819 -24.4926 -33.9849 TIMING: 2295400 CPU: 7171.69, 0.00311839/step Wall: 7171.69, 0.00311839/step, 2.34277 hours remaining, 234.253906 MB of memory in use. ENERGY: 2295400 4072.1904 20548.5778 14335.4944 244.8967 -203566.7786 2477.0440 0.0000 0.0000 52097.6423 -109790.9331 299.4059 -161888.5753 -109426.6275 298.2221 -294.0328 -268.6473 762582.5750 -4.9163 -4.8858 PRESSURE: 2295600 -45.978 -18.0716 -316.802 -18.0713 180.796 13.6816 -316.803 13.6822 331.921 GPRESSURE: 2295600 72.554 -6.17551 -282.047 50.8537 97.7275 5.64479 -446.877 -50.2256 357.65 PRESSAVG: 2295600 -20.4318 25.192 5.963 25.1921 11.3438 -6.61942 5.96298 -6.61946 12.6636 GPRESSAVG: 2295600 -19.4101 24.9048 6.00124 25.1343 10.3696 -3.40029 9.72946 -9.03047 13.0018 TIMING: 2295600 CPU: 7172.31, 0.00311282/step Wall: 7172.31, 0.00311282/step, 2.33842 hours remaining, 234.253906 MB of memory in use. ENERGY: 2295600 4012.2263 20476.1235 14452.6070 243.3148 -203402.8036 2443.3400 0.0000 0.0000 52178.6522 -109596.5399 299.8714 -161775.1921 -109234.0423 298.4548 155.5795 175.9771 761352.5285 1.1919 1.3204 PRESSURE: 2295800 -134.578 -64.4121 275.879 -64.4115 103.269 -35.4176 275.878 -35.4177 -259.661 GPRESSURE: 2295800 -98.7702 -64.3095 260.585 -129.596 151.378 -57.5529 10.6393 -104.695 -232.274 PRESSAVG: 2295800 -45.4637 -1.67521 7.67408 -1.67523 50.0098 -12.969 7.67414 -12.9691 14.9572 GPRESSAVG: 2295800 -46.3893 -1.62324 8.77403 -0.143737 51.5815 -14.2229 2.78499 -12.1567 13.8425 TIMING: 2295800 CPU: 7172.93, 0.00310793/step Wall: 7172.93, 0.00310793/step, 2.33457 hours remaining, 234.253906 MB of memory in use. ENERGY: 2295800 4007.9829 20537.7636 14374.3943 252.2098 -203256.4952 2827.6137 0.0000 0.0000 51682.0699 -109574.4611 297.0176 -161256.5310 -109213.6471 298.9736 -96.9898 -59.8889 762135.8314 6.5011 6.3449 PRESSURE: 2296000 242.314 51.1565 -216.5 51.1557 215.82 109.513 -216.5 109.513 94.0384 GPRESSURE: 2296000 328.073 -6.23498 -183.667 10.5333 264.807 127.721 -137.287 223.909 52.5319 PRESSAVG: 2296000 -66.7553 38.405 -21.0185 38.405 40.5185 24.3117 -21.0185 24.3116 -16.5991 GPRESSAVG: 2296000 -65.847 39.8305 -22.1429 36.4553 39.633 23.5713 -16.7635 26.0151 -16.4806 TIMING: 2296000 CPU: 7173.55, 0.00311724/step Wall: 7173.55, 0.00311724/step, 2.34139 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2296000 4046.2688 20487.2657 14367.4704 237.2410 -203721.2670 2950.3940 0.0000 0.0000 52238.4341 -109394.1930 300.2150 -161632.6271 -109030.5837 299.0739 184.0572 215.1371 763359.3309 -14.2786 -14.2315 PRESSURE: 2296200 17.3242 30.7048 143.101 30.705 -71.8747 17.1692 143.101 17.1679 -250.803 GPRESSURE: 2296200 -10.8404 68.9898 114.065 50.958 -28.6499 -2.97565 128.395 -49.0273 -190.333 PRESSAVG: 2296200 -59.0233 1.93983 55.5673 1.93987 36.8188 -38.4331 55.5673 -38.4332 9.02105 GPRESSAVG: 2296200 -59.2269 -0.830009 54.355 2.03195 36.634 -39.4792 56.2421 -36.801 9.22385 TIMING: 2296200 CPU: 7174.18, 0.00312735/step Wall: 7174.18, 0.00312735/step, 2.34881 hours remaining, 234.253906 MB of memory in use. ENERGY: 2296200 3975.0512 20389.9314 14448.0944 274.4862 -203297.0116 2787.1675 0.0000 0.0000 52050.0571 -109372.2238 299.1324 -161422.2809 -109011.0071 298.9976 -101.7846 -76.6078 763982.5403 -4.3945 -4.4563 LDB: ============= START OF LOAD BALANCING ============== 7186.66 LDB: ============== END OF LOAD BALANCING =============== 7186.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7186.66 LDB: ============= START OF LOAD BALANCING ============== 7186.97 LDB: Largest compute 7069 load 0.030371 is 15.6% of average load 0.195176 LDB: Average compute 0.004404 is 2.3% of average load 0.195176 LDB: TIME 7186.97 LOAD: AVG 0.195176 MAX 0.214453 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.512 MB LDB: TIME 7186.97 LOAD: AVG 0.195176 MAX 0.214453 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.605 MB LDB: TIME 7186.97 LOAD: AVG 0.195176 MAX 0.214453 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.605 MB LDB: ============== END OF LOAD BALANCING =============== 7186.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7186.98 PRESSURE: 2296400 18.6247 -35.5952 153.969 -35.5949 3.36177 -58.7708 153.969 -58.7703 51.6022 GPRESSURE: 2296400 54.1561 34.1661 153.164 -47.451 45.1267 -193.531 96.0319 -45.0353 38.7728 PRESSAVG: 2296400 -47.7622 -21.3554 48.8345 -21.3555 15.5712 -13.6863 48.8345 -13.6863 26.6316 GPRESSAVG: 2296400 -47.8306 -19.1485 50.1931 -19.8644 16.0799 -12.2921 46.7563 -14.8015 26.2455 TIMING: 2296400 CPU: 7174.82, 0.00318147/step Wall: 7174.82, 0.00318147/step, 2.38929 hours remaining, 233.031250 MB of memory in use. ENERGY: 2296400 4015.7616 20516.4780 14396.7323 257.9865 -203704.3673 3033.1375 0.0000 0.0000 52315.0726 -109169.1986 300.6554 -161484.2713 -108805.9598 299.5764 24.5295 46.0185 761995.2932 -1.8531 -1.8350 PRESSURE: 2296600 160.129 4.79213 -133.38 4.79354 -88.9787 270.146 -133.38 270.145 22.7776 GPRESSURE: 2296600 179.001 -24.2526 -32.3031 -38.0337 -73.6757 269.596 -89.5234 303.51 67.6607 PRESSAVG: 2296600 14.3143 -12.9363 55.205 -12.9364 -9.17634 9.33129 55.2049 9.33124 1.72954 GPRESSAVG: 2296600 14.7071 -16.0414 55.5184 -14.3076 -9.06315 7.40643 55.2155 9.75663 0.897982 TIMING: 2296600 CPU: 7175.44, 0.00311793/step Wall: 7175.44, 0.00311793/step, 2.34139 hours remaining, 233.031250 MB of memory in use. ENERGY: 2296600 3957.3750 20473.4478 14403.1760 255.5871 -203253.8837 2757.3523 0.0000 0.0000 52247.4076 -109159.5380 300.2666 -161406.9456 -108801.5138 299.5687 31.3093 57.6621 763042.0249 2.2892 2.1807 PRESSURE: 2296800 -251.852 -62.9179 96.557 -62.9174 -92.639 123.33 96.5568 123.328 -263.973 GPRESSURE: 2296800 -221.946 8.09843 82.2451 -129.616 -119.757 95.8992 88.4734 47.6543 -164.155 PRESSAVG: 2296800 -10.2516 28.5701 54.2786 28.5701 29.9999 -32.9809 54.2787 -32.9808 22.049 GPRESSAVG: 2296800 -11.1245 30.0903 53.6844 28.6497 30.4783 -31.603 55.6521 -34.1282 22.4545 TIMING: 2296800 CPU: 7176.06, 0.00310387/step Wall: 7176.06, 0.00310387/step, 2.33066 hours remaining, 233.031250 MB of memory in use. ENERGY: 2296800 4023.1913 20454.3873 14338.2129 238.8189 -203131.2430 2734.3700 0.0000 0.0000 52180.8592 -109161.4034 299.8841 -161342.2626 -108803.8516 299.3237 -202.8212 -168.6194 764093.1830 13.9324 13.9361 PRESSURE: 2297000 -206.675 -64.9717 -22.4277 -64.972 -205.84 173.471 -22.4274 173.471 -149.087 GPRESSURE: 2297000 -151.904 -56.7278 -94.7015 28.2526 -75.2735 141.723 46.431 277.418 -236.126 PRESSAVG: 2297000 -62.9456 -2.5218 -13.1126 -2.52183 52.4575 27.1316 -13.1127 27.1315 -21.7777 GPRESSAVG: 2297000 -62.8025 -3.30409 -14.4464 -0.678258 52.2193 27.3475 -10.6651 27.1707 -21.6405 TIMING: 2297000 CPU: 7176.68, 0.00310426/step Wall: 7176.68, 0.00310426/step, 2.33078 hours remaining, 233.031250 MB of memory in use. ENERGY: 2297000 4004.0001 20375.2314 14362.5685 256.9028 -203109.2730 2661.3478 0.0000 0.0000 52023.1923 -109426.0302 298.9780 -161449.2225 -109057.1805 299.4270 -187.2010 -154.4343 764303.9828 -10.7553 -10.7412 PRESSURE: 2297200 -153.229 107.938 138.083 107.938 153.008 -65.3472 138.083 -65.3463 -283.662 GPRESSURE: 2297200 -136.86 90.2299 65.4579 83.3878 214.062 -84.2438 139.442 -45.9866 -277.454 PRESSAVG: 2297200 -9.02613 40.4725 74.8658 40.4725 43.5938 57.2755 74.8658 57.2755 -4.37336 GPRESSAVG: 2297200 -10.2298 38.891 75.9505 41.1867 42.9397 56.5745 71.8954 57.2749 -2.90684 TIMING: 2297200 CPU: 7177.3, 0.00311175/step Wall: 7177.3, 0.00311175/step, 2.33623 hours remaining, 233.031250 MB of memory in use. ENERGY: 2297200 4110.9975 20338.4148 14373.3622 241.2120 -203495.2756 2961.2818 0.0000 0.0000 51808.9312 -109661.0762 297.7466 -161470.0074 -109301.6449 298.8855 -94.6278 -66.7507 763371.3357 10.0648 9.9343 PRESSURE: 2297400 -262.533 -126.238 107.843 -126.238 63.28 90.3781 107.843 90.3779 35.6802 GPRESSURE: 2297400 -99.861 -66.8115 108.168 -64.1109 -11.3905 106.814 141.224 36.2076 46.0939 PRESSAVG: 2297400 -27.3831 -29.4789 24.1754 -29.4789 59.7178 -51.4052 24.1755 -51.4051 -0.24364 GPRESSAVG: 2297400 -26.3173 -27.8401 24.831 -30.9629 60.5445 -50.4762 24.4995 -52.7091 -2.25534 TIMING: 2297400 CPU: 7177.93, 0.00311386/step Wall: 7177.93, 0.00311386/step, 2.33764 hours remaining, 233.031250 MB of memory in use. ENERGY: 2297400 3979.7377 20359.3319 14439.2826 244.6465 -203714.8799 2871.7035 0.0000 0.0000 52071.1537 -109749.0239 299.2536 -161820.1776 -109377.8901 298.2917 -54.5242 -21.7192 762743.3615 10.6970 10.6573 PRESSURE: 2297600 -371.956 40.0785 -147.87 40.0791 -66.095 77.0511 -147.871 77.0515 -174.501 GPRESSURE: 2297600 -319.983 37.2682 -164.798 -28.093 -106.492 126.463 -66.5805 -10.7397 -88.4843 PRESSAVG: 2297600 -37.8609 47.4375 20.4646 47.4374 68.9606 18.6278 20.4647 18.6278 21.6931 GPRESSAVG: 2297600 -36.4812 49.4605 20.2754 47.1962 68.0908 19.234 19.3574 18.9491 21.1952 TIMING: 2297600 CPU: 7178.55, 0.0031035/step Wall: 7178.55, 0.0031035/step, 2.32969 hours remaining, 233.031250 MB of memory in use. ENERGY: 2297600 4007.5223 20371.3618 14317.3101 260.9137 -203405.2032 2586.3616 0.0000 0.0000 52110.9934 -109750.7403 299.4826 -161861.7337 -109387.7807 298.3956 -204.1839 -171.6530 762425.4723 17.5976 17.6016 PRESSURE: 2297800 -29.9992 -62.2865 246.564 -62.2858 484.567 -21.6267 246.564 -21.6278 30.042 GPRESSURE: 2297800 -3.31892 -55.4393 288.945 -118.564 445.001 -117.84 254.784 22.075 124.336 PRESSAVG: 2297800 -38.6301 19.5092 2.20481 19.5092 46.8197 30.2095 2.20482 30.2095 -0.15148 GPRESSAVG: 2297800 -39.092 19.292 1.69767 19.0587 47.179 29.0197 2.72088 30.378 0.0705893 TIMING: 2297800 CPU: 7179.17, 0.00311687/step Wall: 7179.17, 0.00311687/step, 2.33956 hours remaining, 233.031250 MB of memory in use. ENERGY: 2297800 3918.0849 20411.2362 14451.9117 265.2888 -203549.5703 2928.5969 0.0000 0.0000 51839.9899 -109734.4618 297.9251 -161574.4517 -109379.9675 298.6508 161.5365 188.6728 762561.7518 2.6794 2.7192 PRESSURE: 2298000 -149.071 126.786 -27.3526 126.787 244.344 -34.4422 -27.3523 -34.442 -311.835 GPRESSURE: 2298000 -134.816 20.067 -64.5502 127.49 256.039 -27.8462 -40.7214 3.82241 -254.725 PRESSAVG: 2298000 6.52094 -36.4724 8.10058 -36.4724 34.3594 -4.22968 8.10058 -4.22972 12.8286 GPRESSAVG: 2298000 5.60591 -37.4115 9.5222 -36.4565 33.7374 -4.47306 8.96715 -2.17339 14.4147 TIMING: 2298000 CPU: 7179.8, 0.00314407/step Wall: 7179.8, 0.00314407/step, 2.3598 hours remaining, 233.031250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2298000 3996.2633 20449.3668 14347.0122 246.4503 -203588.0654 2832.8534 0.0000 0.0000 52005.2152 -109710.9042 298.8747 -161716.1194 -109351.7990 299.0267 -72.1876 -44.5008 762877.8563 17.9030 17.9194 PRESSURE: 2298200 265.894 -91.7494 253.062 -91.7491 126.664 47.8515 253.062 47.8516 -212.283 GPRESSURE: 2298200 257.802 -116.145 199.109 -74.2794 147.509 11.4812 220.794 -24.4645 -115.512 PRESSAVG: 2298200 -36.8908 -10.4427 16.3092 -10.4427 35.2759 -5.41408 16.3092 -5.41411 -9.42286 GPRESSAVG: 2298200 -36.8155 -10.8605 15.2638 -10.1974 35.7973 -5.34522 15.1878 -6.95992 -10.0045 TIMING: 2298200 CPU: 7180.42, 0.00312257/step Wall: 7180.42, 0.00312257/step, 2.34349 hours remaining, 233.031250 MB of memory in use. ENERGY: 2298200 3993.3173 20430.2374 14377.3077 257.9096 -203560.2792 2671.8370 0.0000 0.0000 52091.0563 -109738.6139 299.3680 -161829.6702 -109374.9635 298.7962 60.0913 96.5997 761932.6336 -3.6792 -3.6742 PRESSURE: 2298400 -0.469581 -235.213 -134.752 -235.213 305.355 120.685 -134.752 120.685 -69.5042 GPRESSURE: 2298400 53.3157 -172.224 -103.966 -256.189 364.472 89.1485 -90.2528 129.027 -110.022 PRESSAVG: 2298400 -26.0137 -30.2476 28.5585 -30.2477 26.0552 45.3711 28.5585 45.3711 -8.53253 GPRESSAVG: 2298400 -25.6035 -29.302 26.3224 -30.0174 26.1298 46.0214 29.6035 45.3674 -8.92954 TIMING: 2298400 CPU: 7181.04, 0.00310399/step Wall: 7181.04, 0.00310399/step, 2.32937 hours remaining, 233.031250 MB of memory in use. ENERGY: 2298400 3897.6201 20360.6195 14405.9856 219.4017 -203536.9249 2689.7724 0.0000 0.0000 52135.6883 -109827.8372 299.6245 -161963.5255 -109460.0169 298.3252 78.4606 102.5886 761340.6142 -2.8303 -2.8011 PRESSURE: 2298600 14.2682 -186.837 -80.8469 -186.835 409.128 -208.412 -80.8471 -208.412 71.1161 GPRESSURE: 2298600 139.054 -241.851 -121.478 -168.878 367.207 -251.537 -107.314 -164.611 89.9596 PRESSAVG: 2298600 6.82282 -27.4108 -25.221 -27.4108 5.51328 46.0552 -25.2209 46.0553 -3.39648 GPRESSAVG: 2298600 5.51069 -29.3624 -22.5527 -27.5773 5.97029 46.0246 -28.6581 45.3744 -2.44502 TIMING: 2298600 CPU: 7181.67, 0.00311024/step Wall: 7181.67, 0.00311024/step, 2.33389 hours remaining, 233.031250 MB of memory in use. ENERGY: 2298600 3960.7469 20408.1798 14369.8969 235.0517 -203715.8614 3202.6264 0.0000 0.0000 51857.1009 -109682.2587 298.0235 -161539.3596 -109314.2108 298.5370 164.8373 198.7401 760685.1802 2.9799 3.0120 PRESSURE: 2298800 104.747 5.92624 68.7915 5.92627 43.5464 -93.4195 68.792 -93.4195 -119.009 GPRESSURE: 2298800 109.934 27.3001 113.996 128.647 95.1568 -40.6021 32.6932 -30.5425 -104.311 PRESSAVG: 2298800 -1.99142 -30.8584 38.0385 -30.8585 0.464156 11.3706 38.0385 11.3705 8.16887 GPRESSAVG: 2298800 -0.186419 -27.8424 36.9901 -31.2196 -0.418534 10.032 40.6755 13.7751 7.29041 TIMING: 2298800 CPU: 7182.29, 0.00311709/step Wall: 7182.29, 0.00311709/step, 2.33886 hours remaining, 233.031250 MB of memory in use. ENERGY: 2298800 3984.2281 20466.4347 14326.6876 234.3014 -203065.0039 2466.8813 0.0000 0.0000 51872.2416 -109714.2293 298.1105 -161586.4709 -109362.9973 298.1905 9.7615 33.5931 762532.4834 2.2139 2.2285 PRESSURE: 2299000 44.7986 -15.7714 -15.0272 -15.7711 -294.468 56.1537 -15.0272 56.1524 53.2947 GPRESSURE: 2299000 48.5233 6.71739 36.3701 -68.1746 -242.604 146.663 -71.501 187.746 57.79 PRESSAVG: 2299000 -26.167 -29.712 -27.2044 -29.712 -3.19732 26.0956 -27.2044 26.0956 5.99251 GPRESSAVG: 2299000 -26.1431 -31.5974 -27.0259 -28.5376 -2.70443 27.1237 -26.2394 24.9175 5.226 TIMING: 2299000 CPU: 7182.91, 0.00309622/step Wall: 7182.91, 0.00309622/step, 2.32302 hours remaining, 233.031250 MB of memory in use. ENERGY: 2299000 3951.3195 20276.3941 14380.4962 220.6960 -203380.1897 2744.7804 0.0000 0.0000 52016.9749 -109789.5285 298.9423 -161806.5034 -109420.2468 297.9147 -65.4584 -45.4302 763569.5914 -7.7906 -7.8738 PRESSURE: 2299200 -34.9472 -54.9997 -39.2816 -54.9985 236.334 304.453 -39.2821 304.453 251.308 GPRESSURE: 2299200 11.4018 -41.3458 -98.6037 -6.27764 184.119 340.769 44.165 186.317 362.781 PRESSAVG: 2299200 -55.2176 -22.9391 -7.415 -22.9391 63.5964 38.9866 -7.415 38.9865 -4.09514 GPRESSAVG: 2299200 -55.8435 -22.9338 -5.8825 -22.7419 62.7298 39.0269 -8.78659 36.872 -2.7409 TIMING: 2299200 CPU: 7183.53, 0.00312766/step Wall: 7183.53, 0.00312766/step, 2.34644 hours remaining, 233.031250 MB of memory in use. ENERGY: 2299200 3935.0304 20430.6732 14399.5111 235.8961 -203422.5728 2970.8551 0.0000 0.0000 51669.1959 -109781.4110 296.9436 -161450.6068 -109420.6874 297.8255 150.8983 186.1005 763256.8926 1.4279 1.3818 PRESSURE: 2299400 332.2 67.3232 8.70438 67.3232 321.566 -204.197 8.70467 -204.197 378.746 GPRESSURE: 2299400 343.67 43.0051 -27.7186 12.8539 302.705 -193.472 26.853 13.0612 454.549 PRESSAVG: 2299400 -63.1242 -16.0154 -6.19442 -16.0154 56.8462 10.4179 -6.19443 10.4179 21.4815 GPRESSAVG: 2299400 -64.0568 -16.2908 -6.78335 -17.8132 57.6553 10.0295 -6.29252 13.2939 21.546 TIMING: 2299400 CPU: 7184.16, 0.00310977/step Wall: 7184.16, 0.00310977/step, 2.33284 hours remaining, 233.031250 MB of memory in use. ENERGY: 2299400 3969.5809 20344.7331 14410.8268 262.4280 -203513.9145 2991.4081 0.0000 0.0000 51907.2862 -109627.6513 298.3119 -161534.9376 -109264.7274 298.0528 344.1703 366.9747 762017.5100 5.0678 5.0482 PRESSURE: 2299600 26.4261 66.3807 29.1821 66.3812 434.662 -98.184 29.1816 -98.1834 -7.10451 GPRESSURE: 2299600 20.7365 84.4023 1.44205 -40.6685 488.999 -35.9631 -121.628 -137.798 32.1003 PRESSAVG: 2299600 7.64493 -1.60491 -8.60495 -1.60493 27.1692 5.74381 -8.60491 5.74378 12.1077 GPRESSAVG: 2299600 7.22652 -2.51644 -9.47227 -0.0123123 27.8391 6.24415 -9.1873 3.6221 11.8081 TIMING: 2299600 CPU: 7184.78, 0.00309985/step Wall: 7184.78, 0.00309985/step, 2.32523 hours remaining, 233.031250 MB of memory in use. ENERGY: 2299600 3988.5407 20208.9269 14423.3348 238.1329 -203400.1122 2968.8820 0.0000 0.0000 52136.2482 -109436.0468 299.6277 -161572.2950 -109075.4903 298.5899 151.3279 180.6118 761752.1994 15.6406 15.6246 PRESSURE: 2299800 -310.803 25.7805 74.2599 25.7807 204.25 -79.0856 74.2602 -79.086 190.088 GPRESSURE: 2299800 -222.586 105.598 177.262 115.827 227.431 -116.253 78.6952 -20.9291 163.334 PRESSAVG: 2299800 -33.4347 4.96597 21.8919 4.96602 86.8468 -16.5803 21.892 -16.5804 9.32152 GPRESSAVG: 2299800 -32.0452 5.34008 21.1165 3.6611 86.4131 -16.9245 22.623 -16.048 8.51453 TIMING: 2299800 CPU: 7185.4, 0.00310735/step Wall: 7185.4, 0.00310735/step, 2.33069 hours remaining, 233.031250 MB of memory in use. ENERGY: 2299800 4054.6883 20323.2463 14434.8717 247.3742 -203683.3069 3229.0290 0.0000 0.0000 51944.7363 -109449.3611 298.5271 -161394.0974 -109082.8898 299.0574 27.8450 56.0598 764137.5208 20.9112 20.9608 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2300000 WRITING COORDINATES TO RESTART FILE AT STEP 2300000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2300000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2300000 27.0099 15.0231 345.316 15.0225 -94.2851 -13.9726 345.316 -13.9725 -163.68 GPRESSURE: 2300000 -61.9093 -14.7304 438.85 -25.7696 12.7373 4.09056 346.851 -26.0661 -120.06 PRESSAVG: 2300000 -5.10469 32.7644 15.8264 32.7643 3.8929 -74.1265 15.8264 -74.1265 10.0358 GPRESSAVG: 2300000 -6.19412 36.2615 18.1011 31.2982 3.75337 -72.9283 15.9302 -73.2226 10.8709 TIMING: 2300000 CPU: 7186.06, 0.00328797/step Wall: 7186.06, 0.00328797/step, 2.46598 hours remaining, 233.031250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2300000 4079.5120 20392.6842 14433.4377 247.8094 -203118.3358 2724.3433 0.0000 0.0000 51858.9178 -109381.6314 298.0339 -161240.5492 -109027.1614 299.0193 -76.9850 -56.4107 763144.8313 2.9413 2.8100 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2300000 PRESSURE: 2300200 233.821 -86.6358 -169.322 -86.6355 164.024 -97.7781 -169.322 -97.7778 -22.6065 GPRESSURE: 2300200 262.931 -62.0656 -141.708 -104.295 159.704 -65.3954 -145.826 45.2609 19.9669 PRESSAVG: 2300200 42.6474 -24.5858 -21.6683 -24.5858 -37.5242 -55.6965 -21.6683 -55.6966 -12.5232 GPRESSAVG: 2300200 42.3623 -27.7607 -22.0292 -21.364 -36.4885 -57.9107 -22.9043 -55.0108 -13.3126 TIMING: 2300200 CPU: 7186.68, 0.00313378/step Wall: 7186.68, 0.00313378/step, 2.35016 hours remaining, 233.031250 MB of memory in use. ENERGY: 2300200 4037.3478 20455.5963 14454.5534 251.1189 -203150.8785 2709.7473 0.0000 0.0000 52009.2169 -109233.2979 298.8977 -161242.5148 -108869.2224 299.0634 125.0798 147.5340 762418.2489 -2.4666 -2.4796 LDB: ============= START OF LOAD BALANCING ============== 7199.16 LDB: ============== END OF LOAD BALANCING =============== 7199.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7199.16 LDB: ============= START OF LOAD BALANCING ============== 7199.47 LDB: Largest compute 7036 load 0.029307 is 15.0% of average load 0.195132 LDB: Average compute 0.004399 is 2.3% of average load 0.195132 LDB: TIME 7199.48 LOAD: AVG 0.195132 MAX 0.218814 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.828 MB LDB: TIME 7199.48 LOAD: AVG 0.195132 MAX 0.218814 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.922 MB LDB: TIME 7199.48 LOAD: AVG 0.195132 MAX 0.217744 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.922 MB LDB: ============== END OF LOAD BALANCING =============== 7199.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7199.48 PRESSURE: 2300400 -204.519 70.8397 3.11826 70.8405 -124.475 -93.8993 3.11701 -93.8996 -235.522 GPRESSURE: 2300400 -261.331 25.5404 -5.05728 160.008 -27.2043 -83.4735 179.637 -20.1834 -196.098 PRESSAVG: 2300400 8.16936 33.9788 -25.8437 33.9787 -40.1059 -47.0393 -25.8437 -47.0392 3.69601 GPRESSAVG: 2300400 7.92611 33.1062 -25.4923 33.1424 -40.7934 -46.3568 -23.4715 -48.471 4.71236 TIMING: 2300400 CPU: 7187.32, 0.00318188/step Wall: 7187.32, 0.00318188/step, 2.38606 hours remaining, 235.535156 MB of memory in use. ENERGY: 2300400 4033.6228 20276.5392 14411.3536 270.2068 -203084.8376 2664.1615 0.0000 0.0000 52117.9871 -109310.9665 299.5228 -161428.9536 -108939.6932 299.3369 -188.1718 -161.5445 763379.2563 -9.4135 -9.3850 PRESSURE: 2300600 -229.294 234.308 95.1732 234.307 -45.5102 -89.5941 95.1734 -89.5932 33.9274 GPRESSURE: 2300600 -212.425 100.413 88.4999 268.808 -53.4185 -102.308 147.364 -40.0303 123.699 PRESSAVG: 2300600 -3.08559 15.8611 36.8984 15.8612 -21.3508 -10.4346 36.8983 -10.4345 -5.68935 GPRESSAVG: 2300600 -3.2358 16.9161 37.8211 15.7213 -21.2371 -10.2104 37.0162 -9.68999 -5.81509 TIMING: 2300600 CPU: 7187.95, 0.00313476/step Wall: 7187.95, 0.00313476/step, 2.35055 hours remaining, 235.601562 MB of memory in use. ENERGY: 2300600 4035.0954 20582.8511 14411.4705 241.4827 -203115.8049 2514.1722 0.0000 0.0000 51685.2823 -109645.4508 297.0360 -161330.7331 -109293.3680 299.0711 -80.2923 -47.3815 764196.9433 -10.0419 -10.0960 PRESSURE: 2300800 -16.452 -52.7008 -15.793 -52.7007 -465.728 215.414 -15.7931 215.414 -72.4139 GPRESSURE: 2300800 -51.8906 -100.21 102.006 40.378 -337.609 173.698 -64.5845 270.774 -80.3996 PRESSAVG: 2300800 -15.8481 -4.8903 -3.88384 -4.89029 -18.4619 -16.6882 -3.8838 -16.6882 15.9964 GPRESSAVG: 2300800 -14.2143 -3.4457 -4.63768 -5.04659 -19.0343 -16.0867 -4.41705 -16.8065 14.919 TIMING: 2300800 CPU: 7188.57, 0.00311742/step Wall: 7188.57, 0.00311742/step, 2.33737 hours remaining, 235.601562 MB of memory in use. ENERGY: 2300800 4029.5114 20454.4426 14509.4084 245.9375 -202940.3042 2366.2977 0.0000 0.0000 51879.2792 -109455.4275 298.1509 -161334.7067 -109086.4272 298.4117 -184.8645 -156.6329 762079.3774 -6.1045 -6.1099 PRESSURE: 2301000 -19.6825 216.001 218.892 216.002 -94.2211 53.8685 218.893 53.8682 556.73 GPRESSURE: 2301000 -77.4985 256.701 171.215 149.412 -2.19652 56.863 99.1923 -38.1178 604.679 PRESSAVG: 2301000 -1.38814 -73.1941 -13.0627 -73.1941 23.9565 -35.3305 -13.0626 -35.3305 -17.1818 GPRESSAVG: 2301000 -2.22813 -75.0015 -14.5595 -71.1296 23.4839 -35.7108 -14.2316 -37.9543 -16.3863 TIMING: 2301000 CPU: 7189.19, 0.00311065/step Wall: 7189.19, 0.00311065/step, 2.33212 hours remaining, 235.601562 MB of memory in use. ENERGY: 2301000 3957.8670 20553.5236 14440.1162 256.7503 -203137.7163 2596.8194 0.0000 0.0000 51961.4953 -109371.1446 298.6234 -161332.6398 -109015.3139 299.1883 147.6087 174.9946 761321.2556 1.7955 1.6232 PRESSURE: 2301200 50.5397 119.688 43.8333 119.687 65.0398 -14.0422 43.8344 -14.0425 35.2045 GPRESSURE: 2301200 226.728 150.566 -5.09759 -47.1666 66.2724 0.98572 139.655 -134.352 -63.3618 PRESSAVG: 2301200 -32.7485 -26.4515 25.8411 -26.4516 24.848 -62.0496 25.8412 -62.0497 -9.12153 GPRESSAVG: 2301200 -32.2471 -26.4132 26.6902 -27.1416 25.67 -61.594 23.7104 -61.0291 -9.88915 TIMING: 2301200 CPU: 7189.82, 0.00312732/step Wall: 7189.82, 0.00312732/step, 2.34444 hours remaining, 235.601562 MB of memory in use. ENERGY: 2301200 4025.1598 20521.7081 14499.3810 244.6254 -203369.9423 2786.0824 0.0000 0.0000 52026.6181 -109266.3676 298.9977 -161292.9856 -108913.5639 298.9052 50.2613 76.5462 761947.6566 -5.6740 -5.4888 PRESSURE: 2301400 216.137 62.4815 -129.532 62.4806 -292.778 -211.173 -129.531 -211.172 31.7035 GPRESSURE: 2301400 291.54 56.3639 -55.0301 120.299 -320.778 -124.244 48.0493 -228.001 72.582 PRESSAVG: 2301400 34.6401 51.0978 30.4779 51.0978 -34.0262 -6.78432 30.478 -6.7843 0.414112 GPRESSAVG: 2301400 35.3631 52.0748 31.4513 50.6085 -36.331 -7.14396 32.9161 -5.66455 2.36549 TIMING: 2301400 CPU: 7190.44, 0.00312684/step Wall: 7190.44, 0.00312684/step, 2.34391 hours remaining, 235.601562 MB of memory in use. ENERGY: 2301400 3942.6825 20423.0622 14407.6267 248.0713 -203125.3569 2675.1355 0.0000 0.0000 52167.5836 -109261.1950 299.8078 -161428.7787 -108892.3414 299.2627 -14.9792 14.4481 761593.9498 0.3426 0.4658 PRESSURE: 2301600 43.9821 -257.135 -221.247 -257.136 -191.366 -11.0491 -221.247 -11.0489 53.361 GPRESSURE: 2301600 55.4568 -230.492 -168.949 -309.697 -80.9971 -37.3558 -122.238 18.3977 31.7868 PRESSAVG: 2301600 11.4145 -37.8674 -34.2672 -37.8674 -11.7788 -0.308054 -34.2672 -0.308121 -0.462964 GPRESSAVG: 2301600 11.3799 -37.5668 -34.6231 -39.7987 -10.521 0.307066 -34.0544 -1.36571 -1.50348 TIMING: 2301600 CPU: 7191.06, 0.00310521/step Wall: 7191.06, 0.00310521/step, 2.32753 hours remaining, 235.601562 MB of memory in use. ENERGY: 2301600 3965.7204 20445.9481 14436.0798 266.0716 -203044.3572 2588.6144 0.0000 0.0000 52098.4356 -109243.4874 299.4104 -161341.9229 -108882.9845 299.2600 -31.3410 2.0822 761546.8528 -0.2758 -0.2148 PRESSURE: 2301800 55.0372 60.8511 -115.481 60.8514 -20.6899 -53.9159 -115.48 -53.9159 96.6848 GPRESSURE: 2301800 116.447 93.7646 -105.322 57.9079 52.2844 -86.4936 -44.7013 -62.7178 55.2304 PRESSAVG: 2301800 -58.8795 -13.1681 -22.8222 -13.1681 -8.97818 9.03361 -22.8223 9.03363 5.10707 GPRESSAVG: 2301800 -61.181 -15.0895 -24.6875 -11.6446 -7.33965 8.73422 -22.2361 10.2824 5.78301 TIMING: 2301800 CPU: 7191.68, 0.00310751/step Wall: 7191.68, 0.00310751/step, 2.32908 hours remaining, 235.601562 MB of memory in use. ENERGY: 2301800 4056.1091 20338.0608 14376.8058 252.8203 -203316.2113 2764.5335 0.0000 0.0000 52221.1946 -109306.6871 300.1159 -161527.8818 -108943.0383 299.2808 43.6774 74.6538 762952.3785 -20.9169 -20.9125 PRESSURE: 2302000 -264.022 -157.439 49.3364 -157.439 -293.666 -129.673 49.3356 -129.673 184.742 GPRESSURE: 2302000 -233.8 -171.227 120.988 -203.339 -213.89 -98.4555 69.9899 -13.0868 145.684 PRESSAVG: 2302000 27.2199 -64.9746 -11.0825 -64.9746 21.6704 -34.4867 -11.0825 -34.4867 -7.93421 GPRESSAVG: 2302000 29.574 -63.4713 -8.86656 -65.5333 21.6074 -34.4738 -10.9788 -34.6376 -9.56546 TIMING: 2302000 CPU: 7192.31, 0.00311708/step Wall: 7192.31, 0.00311707/step, 2.33607 hours remaining, 235.601562 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: 2302000 3986.5837 20507.4331 14432.0567 245.4567 -202979.9181 2667.9181 0.0000 0.0000 52029.6235 -109110.8464 299.0150 -161140.4699 -108741.4589 299.5498 -124.3154 -100.6685 764827.1972 13.6520 13.8720 PRESSURE: 2302200 -153.726 25.4773 54.2339 25.4771 -72.4142 338.738 54.2336 338.737 -383.377 GPRESSURE: 2302200 -134.034 -26.6148 70.3591 55.0432 -27.1513 359.072 10.9373 172.739 -374.77 PRESSAVG: 2302200 21.9635 -8.12016 21.0437 -8.12009 -51.8675 -28.7347 21.0436 -28.7347 11.2672 GPRESSAVG: 2302200 20.2444 -8.26952 20.5338 -8.4928 -51.1869 -28.4734 21.9261 -28.6614 12.3423 TIMING: 2302200 CPU: 7192.93, 0.0031275/step Wall: 7192.93, 0.0031275/step, 2.34372 hours remaining, 235.601562 MB of memory in use. ENERGY: 2302200 4111.2238 20875.0837 14427.3111 234.7350 -203347.6889 2889.9212 0.0000 0.0000 51779.4811 -109029.9331 297.5774 -160809.4142 -108674.7247 299.7370 -203.1724 -178.6515 764556.6314 -6.2123 -6.2001 PRESSURE: 2302400 -703.981 98.4873 -163.356 98.4873 -38.0914 -10.5188 -163.355 -10.5192 -481.672 GPRESSURE: 2302400 -636.648 72.7866 -143.799 7.34435 -13.6981 -51.7636 -205.848 116.379 -486.927 PRESSAVG: 2302400 34.7688 29.9576 1.5938 29.9576 -3.13817 28.2922 1.59384 28.2922 -11.4254 GPRESSAVG: 2302400 36.4497 28.8363 -0.0128836 30.6522 -4.72426 28.1206 0.870814 27.8015 -11.8755 TIMING: 2302400 CPU: 7193.56, 0.00313726/step Wall: 7193.56, 0.00313726/step, 2.35086 hours remaining, 235.601562 MB of memory in use. ENERGY: 2302400 4000.7151 20505.8787 14417.7243 241.6742 -203198.0703 2544.3398 0.0000 0.0000 52237.3011 -109250.4372 300.2085 -161487.7383 -108878.7777 299.3143 -407.9148 -379.0912 763743.2870 6.7351 6.6166 PRESSURE: 2302600 -7.2126 -229.265 -424.723 -229.265 -296.934 -189.7 -424.722 -189.7 -215.542 GPRESSURE: 2302600 -43.0389 -322.708 -383.557 -283.935 -205.04 -171.422 -400.21 -219.359 -189.995 PRESSAVG: 2302600 -43.4608 -35.7614 -5.53971 -35.7614 10.1368 -34.6091 -5.53967 -34.6092 2.15222 GPRESSAVG: 2302600 -44.529 -34.7141 -3.77241 -35.9222 10.5183 -34.8749 -4.39878 -34.2216 2.29066 TIMING: 2302600 CPU: 7194.19, 0.00313998/step Wall: 7194.19, 0.00313998/step, 2.35272 hours remaining, 235.601562 MB of memory in use. ENERGY: 2302600 4032.6833 20384.2349 14439.5178 261.4727 -203017.1667 2508.1586 0.0000 0.0000 52032.5055 -109358.5938 299.0315 -161391.0993 -108989.0348 299.4059 -173.2295 -146.0249 763165.8472 -10.3906 -10.5733 PRESSURE: 2302800 -294.592 100.379 111.786 100.379 -375.14 -105.1 111.786 -105.1 -669.956 GPRESSURE: 2302800 -360.436 93.8443 149.129 130.026 -277.246 -114.809 89.1028 -96.681 -600.819 PRESSAVG: 2302800 0.116786 -31.2125 6.43866 -31.2125 -10.5875 -19.4039 6.43867 -19.4039 2.15216 GPRESSAVG: 2302800 0.330102 -30.5391 7.49905 -31.5644 -11.1474 -19.4656 3.59954 -19.8902 2.38314 TIMING: 2302800 CPU: 7194.81, 0.00310152/step Wall: 7194.81, 0.00310152/step, 2.32373 hours remaining, 235.601562 MB of memory in use. ENERGY: 2302800 3990.0928 20433.6719 14425.6963 255.0282 -202813.3294 2446.8958 0.0000 0.0000 51939.3307 -109322.6136 298.4960 -161261.9443 -108957.7722 299.0015 -446.5627 -412.8339 763158.0112 -2.7728 -2.8114 PRESSURE: 2303000 352.647 87.5854 -156.668 87.5859 -23.6672 -14.4832 -156.668 -14.484 -205.453 GPRESSURE: 2303000 299.607 72.7669 -175.077 168.202 73.2326 -71.1707 -211.522 34.2974 -168.841 PRESSAVG: 2303000 12.732 5.45713 -4.16054 5.45714 3.32919 -11.6291 -4.16048 -11.6292 12.5728 GPRESSAVG: 2303000 12.9838 6.19581 -5.23229 6.57398 4.25323 -11.536 -4.80162 -12.0361 11.2882 TIMING: 2303000 CPU: 7195.43, 0.00310867/step Wall: 7195.43, 0.00310867/step, 2.32891 hours remaining, 235.601562 MB of memory in use. ENERGY: 2303000 3948.9910 20580.0975 14408.9484 253.7676 -203303.7079 2823.1454 0.0000 0.0000 52157.6008 -109131.1572 299.7504 -161288.7580 -108771.0653 299.0885 41.1754 67.9996 760835.3740 9.5447 9.5084 PRESSURE: 2303200 -23.3386 12.4322 9.56181 12.4336 83.098 -16.2127 9.56189 -16.2132 -106.329 GPRESSURE: 2303200 -22.0966 15.953 43.5417 -41.2376 94.7368 83.7133 -113.636 -158.924 -45.4476 PRESSAVG: 2303200 11.4589 -1.18116 -83.2577 -1.18121 -45.5734 -18.655 -83.2578 -18.6551 5.56783 GPRESSAVG: 2303200 12.054 -2.6076 -83.205 -0.87657 -46.562 -18.5935 -81.9913 -20.0918 6.29863 TIMING: 2303200 CPU: 7196.05, 0.00311953/step Wall: 7196.05, 0.00311953/step, 2.33688 hours remaining, 235.601562 MB of memory in use. ENERGY: 2303200 3872.5376 20644.7361 14430.7001 248.1700 -203229.2269 2955.7178 0.0000 0.0000 51810.9473 -109266.4180 297.7582 -161077.3653 -108912.4143 299.6508 -15.5233 9.0642 762079.3475 -9.5156 -9.4031 PRESSURE: 2303400 63.0997 -24.4687 -72.7793 -24.4671 -25.4629 -175.029 -72.7799 -175.03 -147.832 GPRESSURE: 2303400 68.9039 -144.29 -90.9426 -45.3711 -2.40173 -170.105 -49.8228 -202.507 -105.839 PRESSAVG: 2303400 6.49128 8.91252 -9.66782 8.91254 -8.12941 -3.66684 -9.66776 -3.66695 -16.6563 GPRESSAVG: 2303400 5.20278 8.58344 -10.1323 7.30223 -7.56448 -3.21977 -5.68854 -2.96928 -16.1123 TIMING: 2303400 CPU: 7196.68, 0.00310384/step Wall: 7196.68, 0.00310384/step, 2.32495 hours remaining, 235.601562 MB of memory in use. ENERGY: 2303400 3971.3349 20496.3923 14348.8504 256.5209 -203534.6287 2856.1612 0.0000 0.0000 52186.8777 -109418.4914 299.9187 -161605.3691 -109059.8847 299.1417 -36.7319 -13.1124 762719.7351 -6.0982 -6.1580 PRESSURE: 2303600 -50.6774 58.5087 113.073 58.5083 -197.833 26.1713 113.073 26.1719 315.245 GPRESSURE: 2303600 -106.386 56.1896 131.92 -20.56 -93.7485 -38.5558 64.4132 62.7772 350.709 PRESSAVG: 2303600 22.1947 -46.7921 -23.4074 -46.7922 -13.3123 -48.209 -23.4075 -48.209 8.90803 GPRESSAVG: 2303600 21.544 -47.9339 -25.1429 -45.9581 -11.3366 -48.6627 -27.0517 -48.553 8.1278 TIMING: 2303600 CPU: 7197.3, 0.00310548/step Wall: 7197.3, 0.00310548/step, 2.326 hours remaining, 235.601562 MB of memory in use. ENERGY: 2303600 3967.4959 20353.6916 14479.8445 230.3187 -203116.8215 2526.1313 0.0000 0.0000 52063.2815 -109496.0580 299.2084 -161559.3395 -109124.8279 298.8034 22.2450 50.1916 763408.2830 5.9301 6.1117 PRESSURE: 2303800 85.6273 -47.2875 42.0953 -47.2875 136.098 -84.2956 42.0952 -84.2956 13.9261 GPRESSURE: 2303800 97.7962 -77.0108 23.8501 -90.5125 250.622 -65.0187 -139.257 -40.8725 -17.2681 PRESSAVG: 2303800 -45.1671 -82.9765 -17.5803 -82.9766 42.0355 -3.75603 -17.5803 -3.75603 12.3937 GPRESSAVG: 2303800 -44.7642 -80.7959 -15.6673 -84.3851 40.7697 -3.93828 -18.2069 -1.43401 13.252 TIMING: 2303800 CPU: 7197.92, 0.0030932/step Wall: 7197.92, 0.0030932/step, 2.31664 hours remaining, 235.601562 MB of memory in use. ENERGY: 2303800 4042.5606 20552.8771 14414.9910 248.1828 -203403.0805 2762.3769 0.0000 0.0000 51977.0200 -109405.0721 298.7126 -161382.0920 -109043.7111 298.7906 78.5503 110.3832 760919.9080 3.0873 3.0858 PRESSURE: 2304000 155.832 -44.5505 95.6251 -44.5499 -28.9751 25.0623 95.6242 25.064 70.9537 GPRESSURE: 2304000 240.525 -212.796 192.029 85.7711 51.5138 19.2355 102.765 -158.196 -9.83703 PRESSAVG: 2304000 -28.0555 -74.6953 -1.34953 -74.6952 65.9687 -58.9287 -1.34957 -58.9287 -5.88252 GPRESSAVG: 2304000 -28.9228 -76.242 -3.85184 -71.5292 66.8425 -58.1915 1.17724 -60.3269 -5.88335 TIMING: 2304000 CPU: 7198.54, 0.00310752/step Wall: 7198.54, 0.00310752/step, 2.32719 hours remaining, 235.601562 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: 2304000 3966.7644 20345.7147 14422.3181 249.2697 -203606.3772 2891.6960 0.0000 0.0000 52310.4790 -109420.1355 300.6290 -161730.6145 -109048.6190 299.0115 65.9370 94.0673 762584.1423 10.6769 10.6788 PRESSURE: 2304200 -227.256 -15.9719 -30.917 -15.9723 -321.599 -194.877 -30.9164 -194.877 -372.042 GPRESSURE: 2304200 -291.772 -163.81 -42.4731 38.1198 -193.738 -168.249 44.9548 -212.712 -368.054 PRESSAVG: 2304200 -42.0172 -70.4569 14.6351 -70.4568 47.7584 -22.6344 14.6351 -22.6344 -13.3771 GPRESSAVG: 2304200 -40.7962 -71.3497 17.342 -72.3687 47.7855 -23.0325 12.8909 -23.1739 -14.7708 TIMING: 2304200 CPU: 7199.16, 0.00311531/step Wall: 7199.16, 0.00311531/step, 2.33285 hours remaining, 235.601562 MB of memory in use. ENERGY: 2304200 4087.9002 20510.4378 14410.2686 262.5776 -203387.6061 2670.7353 0.0000 0.0000 51927.0125 -109518.6742 298.4253 -161445.6867 -109162.2893 299.1720 -306.9658 -284.5213 764268.2268 -2.5453 -2.5938 LDB: ============= START OF LOAD BALANCING ============== 7211.64 LDB: ============== END OF LOAD BALANCING =============== 7211.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7211.64 LDB: ============= START OF LOAD BALANCING ============== 7211.95 LDB: Largest compute 7078 load 0.031961 is 16.4% of average load 0.194996 LDB: Average compute 0.004408 is 2.3% of average load 0.194996 LDB: TIME 7211.96 LOAD: AVG 0.194996 MAX 0.216502 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.82 MB LDB: TIME 7211.96 LOAD: AVG 0.194996 MAX 0.216502 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.82 MB LDB: TIME 7211.96 LOAD: AVG 0.194996 MAX 0.216502 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.82 MB LDB: ============== END OF LOAD BALANCING =============== 7211.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7211.96 PRESSURE: 2304400 -143.265 -139.659 -141.957 -139.659 -135.583 48.015 -141.957 48.0146 42.0504 GPRESSURE: 2304400 54.68 -67.849 -56.3528 -62.1706 -193.292 22.8413 -89.1961 58.8273 -23.1702 PRESSAVG: 2304400 18.5955 -92.7396 7.43134 -92.7396 17.5818 -49.0592 7.43137 -49.0592 -26.5496 GPRESSAVG: 2304400 18.9962 -90.7498 6.53055 -92.3459 17.3685 -50.1111 6.05461 -46.8955 -26.5057 TIMING: 2304400 CPU: 7199.8, 0.0031853/step Wall: 7199.8, 0.0031853/step, 2.38508 hours remaining, 234.109375 MB of memory in use. ENERGY: 2304400 4053.1380 20519.2758 14404.1915 278.3715 -203368.2785 2465.8443 0.0000 0.0000 52205.0960 -109442.3615 300.0234 -161647.4575 -109081.0966 299.0407 -78.9325 -53.9274 762517.4882 3.2092 3.2863 PRESSURE: 2304600 -297.857 -57.3404 113.893 -57.3391 209.852 -91.7649 113.893 -91.7662 -238.928 GPRESSURE: 2304600 -142.389 -122.929 146.267 -82.751 158.244 -98.3745 195.349 -98.4086 -253.67 PRESSAVG: 2304600 11.6836 -2.20228 69.2636 -2.20228 41.9249 -62.3587 69.2636 -62.3587 -9.23295 GPRESSAVG: 2304600 12.6052 -3.79512 68.2838 -1.85449 40.2965 -61.3954 72.8039 -64.9732 -8.69567 TIMING: 2304600 CPU: 7200.42, 0.00310341/step Wall: 7200.42, 0.00310341/step, 2.32359 hours remaining, 234.109375 MB of memory in use. ENERGY: 2304600 4020.3072 20649.9344 14437.9498 272.9385 -203522.3233 2783.7336 0.0000 0.0000 52040.1110 -109317.3488 299.0752 -161357.4598 -108962.5702 299.6961 -108.9780 -79.2718 762153.1732 14.7919 14.7354 PRESSURE: 2304800 39.6551 16.8865 7.38348 16.8871 23.2491 -456.789 7.38372 -456.79 375.476 GPRESSURE: 2304800 67.8372 -27.3811 17.1476 11.0237 133.533 -472.291 149.866 -373.572 322.194 PRESSAVG: 2304800 19.4138 -39.0131 -44.1842 -39.0131 34.6659 -88.9585 -44.1843 -88.9585 16.2084 GPRESSAVG: 2304800 19.87 -36.6223 -43.2288 -40.4936 35.8655 -88.952 -46.7134 -88.5384 15.1529 TIMING: 2304800 CPU: 7201.04, 0.00311879/step Wall: 7201.04, 0.00311879/step, 2.33493 hours remaining, 234.109375 MB of memory in use. ENERGY: 2304800 4017.8652 20693.5036 14490.5853 271.1808 -203766.2603 2894.2409 0.0000 0.0000 51952.7950 -109446.0895 298.5734 -161398.8845 -109088.0096 299.4699 146.1267 174.5215 762743.0037 23.4293 23.6295 PRESSURE: 2305000 -51.3958 -178.485 67.2714 -178.485 -103.053 -0.89634 67.2717 -0.896723 219.26 GPRESSURE: 2305000 -5.27436 -183.734 130.937 -191.883 -67.2875 25.2664 -52.3635 -26.0773 214.803 PRESSAVG: 2305000 -21.484 -31.1421 13.5786 -31.142 21.1614 -66.1046 13.5787 -66.1046 -16.6651 GPRESSAVG: 2305000 -23.3931 -31.8965 13.0018 -31.6318 21.5888 -64.1558 15.5512 -67.2049 -15.003 TIMING: 2305000 CPU: 7201.66, 0.00311154/step Wall: 7201.66, 0.00311154/step, 2.32933 hours remaining, 234.109375 MB of memory in use. ENERGY: 2305000 3983.0351 20677.6726 14327.9436 255.9185 -203497.7389 2714.3598 0.0000 0.0000 51751.3072 -109787.5020 297.4155 -161538.8092 -109420.9844 298.7738 21.6037 47.4136 763564.9395 -5.6626 -5.6024 PRESSURE: 2305200 -59.4086 137.674 11.1787 137.673 129.337 -218.425 11.1792 -218.425 195.63 GPRESSURE: 2305200 -88.8947 87.6974 -25.2915 119.293 182.097 -142.06 144.171 -88.678 273.004 PRESSAVG: 2305200 -61.0128 -11.8936 -79.9084 -11.8936 33.9799 4.68135 -79.9083 4.68132 -3.53565 GPRESSAVG: 2305200 -61.1104 -11.1418 -79.4772 -11.699 33.4055 2.43396 -81.0786 7.36446 -2.801 TIMING: 2305200 CPU: 7202.28, 0.00310486/step Wall: 7202.28, 0.00310486/step, 2.32416 hours remaining, 234.109375 MB of memory in use. ENERGY: 2305200 3994.9563 20368.6172 14420.7798 223.8136 -203608.0438 2701.4391 0.0000 0.0000 51957.2446 -109941.1932 298.5990 -161898.4377 -109570.4058 298.5596 88.5196 122.0685 761971.2143 -10.1895 -10.1686 PRESSURE: 2305400 -143.7 -41.3184 -54.6973 -41.318 170.173 66.1602 -54.6976 66.1593 248.871 GPRESSURE: 2305400 -43.2974 -62.216 -147.841 38.6359 95.3325 65.127 2.21123 -12.9052 308.717 PRESSAVG: 2305400 15.0166 -60.3277 -5.60473 -60.3277 53.4186 0.911662 -5.60474 0.911634 -2.18034 GPRESSAVG: 2305400 15.6935 -60.2167 -6.41765 -59.2602 53.6417 0.572473 -6.60891 0.864832 -3.23574 TIMING: 2305400 CPU: 7202.9, 0.0030919/step Wall: 7202.9, 0.0030919/step, 2.31429 hours remaining, 234.109375 MB of memory in use. ENERGY: 2305400 4023.4302 20483.6360 14444.2019 250.7486 -204045.9175 2998.9187 0.0000 0.0000 51836.0063 -110008.9758 297.9022 -161844.9821 -109656.8557 297.7690 91.7811 120.2507 761023.5340 22.0850 22.0332 PRESSURE: 2305600 251.689 0.427667 -221.347 0.427219 127.65 -74.6522 -221.348 -74.6517 445.035 GPRESSURE: 2305600 225.691 -108.757 -274.811 52.0422 227.403 -94.5099 -163.37 12.0113 457.459 PRESSAVG: 2305600 -30.5308 -78.7631 6.2832 -78.763 2.74506 0.249841 6.28317 0.249847 19.3245 GPRESSAVG: 2305600 -31.49 -80.3947 6.56257 -79.5264 3.5386 0.633076 7.11427 -0.218419 20.0287 TIMING: 2305600 CPU: 7203.52, 0.00309478/step Wall: 7203.52, 0.00309478/step, 2.31627 hours remaining, 234.109375 MB of memory in use. ENERGY: 2305600 3885.5355 20404.8048 14345.6842 232.5445 -203603.7771 2880.2280 0.0000 0.0000 52032.1502 -109822.8300 299.0295 -161854.9802 -109454.3642 297.9721 274.7915 303.5178 761335.8471 -2.8204 -2.6409 PRESSURE: 2305800 -291.362 -108.462 150.788 -108.462 -132.167 -108.587 150.787 -108.588 -24.9311 GPRESSURE: 2305800 -205.8 -97.1879 99.7248 -110.792 -118.102 -68.2181 174.629 -81.4245 -70.5905 PRESSAVG: 2305800 25.892 -11.7986 -22.8508 -11.7986 -10.2984 -10.4551 -22.8508 -10.4551 -3.44196 GPRESSAVG: 2305800 26.8035 -11.2653 -22.6458 -13.1082 -10.9961 -10.6502 -22.31 -9.82235 -4.34601 TIMING: 2305800 CPU: 7204.14, 0.00310157/step Wall: 7204.14, 0.00310157/step, 2.32118 hours remaining, 234.109375 MB of memory in use. ENERGY: 2305800 4011.6768 20428.8919 14399.9587 252.9056 -203744.7953 2852.2519 0.0000 0.0000 52024.0508 -109775.0596 298.9829 -161799.1104 -109418.9964 298.0133 -149.4866 -131.4975 762572.6055 4.0505 3.8205 PRESSURE: 2306000 -77.9142 125.241 44.162 125.24 -184.153 -115.972 44.1633 -115.971 -305.048 GPRESSURE: 2306000 -112.282 154.695 74.0161 95.7994 -110.506 -202.325 29.2996 -34.9931 -268.938 PRESSAVG: 2306000 15.3964 -8.22956 41.8526 -8.22955 9.63343 -0.0669026 41.8527 -0.0668669 17.643 GPRESSAVG: 2306000 14.7644 -8.5992 41.7114 -8.56255 10.2985 0.318427 42.0836 -0.736365 17.4242 TIMING: 2306000 CPU: 7204.76, 0.0030995/step Wall: 7204.76, 0.0030995/step, 2.31946 hours remaining, 234.109375 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: 2306000 4000.1727 20356.5167 14293.5887 248.4205 -203293.8491 2866.1255 0.0000 0.0000 51809.1063 -109719.9187 297.7476 -161529.0250 -109356.5348 298.2908 -189.0385 -163.9085 762850.1203 14.2243 14.1624 PRESSURE: 2306200 193.595 -97.7367 88.3007 -97.736 100.335 61.0587 88.2993 61.0589 48.9057 GPRESSURE: 2306200 318.804 -6.22192 99.991 -48.8143 103.296 33.6267 84.0095 10.8008 15.5435 PRESSAVG: 2306200 -4.66717 -19.4516 -1.74976 -19.4515 33.3723 6.43458 -1.74975 6.43464 10.0039 GPRESSAVG: 2306200 -4.47071 -18.4658 -1.56189 -18.5069 32.7072 7.15202 -3.06017 7.25487 10.2538 TIMING: 2306200 CPU: 7205.38, 0.00308823/step Wall: 7205.38, 0.00308823/step, 2.31085 hours remaining, 234.109375 MB of memory in use. ENERGY: 2306200 4038.6296 20448.8209 14441.5873 261.7992 -203660.9087 2944.0772 0.0000 0.0000 51976.5753 -109549.4192 298.7101 -161525.9945 -109185.3488 298.2772 114.2785 145.8815 761693.4296 12.9030 12.8301 PRESSURE: 2306400 -172.935 106.786 152.257 106.786 26.6758 -73.9535 152.257 -73.9539 -25.4869 GPRESSURE: 2306400 -152.662 163.53 101.256 119.133 64.8107 -43.7939 38.9887 -14.5935 -14.3867 PRESSAVG: 2306400 -3.84415 13.6543 -15.3857 13.6544 -27.7173 -29.8242 -15.3857 -29.8242 -30.7008 GPRESSAVG: 2306400 -4.09361 13.1055 -15.8917 14.203 -28.593 -31.2918 -14.7839 -30.1108 -30.6624 TIMING: 2306400 CPU: 7206, 0.00309137/step Wall: 7206, 0.00309137/step, 2.31303 hours remaining, 234.109375 MB of memory in use. ENERGY: 2306400 4028.2004 20471.3399 14470.3566 264.2718 -203522.8726 2847.4197 0.0000 0.0000 51857.9364 -109583.3478 298.0283 -161441.2842 -109221.1366 297.8574 -57.2486 -34.0794 764553.8129 -20.7541 -21.1163 PRESSURE: 2306600 -233.174 -73.1956 -212.709 -73.1951 -67.7295 -286.997 -212.708 -286.998 -304.149 GPRESSURE: 2306600 -209.396 -133.505 -232.317 23.0992 -110.655 -267.978 -268.844 -136.784 -216.664 PRESSAVG: 2306600 21.9497 44.1964 -7.23554 44.1964 -23.6874 -37.9644 -7.23559 -37.9644 15.6002 GPRESSAVG: 2306600 23.1811 43.6915 -7.70906 44.9614 -25.2451 -36.5496 -6.45534 -38.3846 15.82 TIMING: 2306600 CPU: 7206.62, 0.00310446/step Wall: 7206.62, 0.00310446/step, 2.32266 hours remaining, 234.109375 MB of memory in use. ENERGY: 2306600 3951.1675 20578.3634 14436.2680 231.4868 -203164.8330 2456.6744 0.0000 0.0000 51872.1779 -109638.6952 298.1101 -161510.8731 -109276.1189 297.9173 -201.6842 -178.9052 762972.6885 4.6208 4.5853 PRESSURE: 2306800 -9.95742 18.0487 64.4905 18.0485 -198.953 45.5981 64.4913 45.5988 -290.716 GPRESSURE: 2306800 -21.2135 8.42088 93.8365 42.7782 -133.529 18.4695 101.162 7.87624 -263.564 PRESSAVG: 2306800 14.5329 -7.89828 -0.868529 -7.89827 3.95542 2.95459 -0.86861 2.9546 29.3193 GPRESSAVG: 2306800 11.7945 -8.33688 -0.179645 -7.7583 6.76302 2.50469 -1.96587 3.02767 29.759 TIMING: 2306800 CPU: 7207.24, 0.00309447/step Wall: 7207.24, 0.00309447/step, 2.31501 hours remaining, 234.109375 MB of memory in use. ENERGY: 2306800 4066.2893 20481.7012 14450.2724 244.1062 -203270.6647 2716.2223 0.0000 0.0000 51933.8599 -109378.2133 298.4646 -161312.0732 -109014.4725 298.2769 -166.5421 -139.4356 762205.6697 15.9359 16.1055 PRESSURE: 2307000 -39.1628 110.757 -200.705 110.758 63.5355 -36.0012 -200.705 -36.0008 -131.268 GPRESSURE: 2307000 68.6932 158.648 -134.833 17.2145 14.3892 -2.78414 -215.982 -142.585 -107.177 PRESSAVG: 2307000 -68.7207 -5.09549 19.6319 -5.09555 76.4508 18.8448 19.6319 18.8447 -5.86912 GPRESSAVG: 2307000 -67.496 -4.02515 18.7886 -6.37858 76.5122 18.9194 20.4638 18.5747 -6.98541 TIMING: 2307000 CPU: 7207.86, 0.00309828/step Wall: 7207.86, 0.00309828/step, 2.31768 hours remaining, 234.109375 MB of memory in use. ENERGY: 2307000 4029.6749 20579.8818 14423.1619 242.6581 -203009.2845 2501.6730 0.0000 0.0000 52037.2426 -109194.9922 299.0587 -161232.2348 -108840.9762 298.8561 -35.6319 -8.0314 763056.9244 0.6203 0.6770 PRESSURE: 2307200 255.399 -151.455 30.109 -151.454 268.104 161.19 30.1083 161.19 273.091 GPRESSURE: 2307200 340.052 -34.5204 -52.6154 -157.458 227.818 114.19 113.316 153.363 303.688 PRESSAVG: 2307200 5.65102 13.8328 0.581686 13.8329 -9.52191 35.6171 0.581677 35.617 1.71955 GPRESSAVG: 2307200 5.9546 14.6519 0.788867 13.173 -10.7536 35.8543 0.791038 35.6391 2.35806 TIMING: 2307200 CPU: 7208.48, 0.00309993/step Wall: 7208.48, 0.00309993/step, 2.31875 hours remaining, 234.109375 MB of memory in use. ENERGY: 2307200 3906.3205 20522.4329 14425.2620 253.5937 -203089.3790 2782.9290 0.0000 0.0000 52296.2370 -108902.6039 300.5472 -161198.8409 -108535.8860 299.3176 265.5313 290.5191 762309.2279 -0.7171 -0.8136 PRESSURE: 2307400 93.3814 -181.517 -259.256 -181.517 124.654 -166.739 -259.257 -166.74 291.275 GPRESSURE: 2307400 142.219 -113.462 -304.114 -111.668 156.582 -199.769 -394.564 -192.573 309.886 PRESSAVG: 2307400 -3.93638 -33.0339 -21.6913 -33.0339 25.278 -35.5624 -21.6914 -35.5624 -9.68855 GPRESSAVG: 2307400 -3.6323 -33.5936 -20.017 -30.3758 25.6992 -37.6357 -23.3967 -33.9104 -10.1628 TIMING: 2307400 CPU: 7209.1, 0.00309957/step Wall: 7209.1, 0.00309957/step, 2.3183 hours remaining, 234.109375 MB of memory in use. ENERGY: 2307400 3963.9808 20545.3141 14417.6850 262.6721 -203344.6492 3048.4797 0.0000 0.0000 52257.3511 -108849.1663 300.3237 -161106.5174 -108485.4162 300.0099 169.7701 202.8957 761969.8452 3.8844 3.9680 PRESSURE: 2307600 -65.1711 -220.727 -87.4571 -220.727 -223.259 -120.015 -87.457 -120.015 -427.199 GPRESSURE: 2307600 13.2807 -156.294 -99.1627 -206.923 -202.779 -135.169 46.8063 -97.6891 -435.88 PRESSAVG: 2307600 -33.9709 -29.3161 -20.2212 -29.3161 31.0784 31.3363 -20.2212 31.3364 16.5335 GPRESSAVG: 2307600 -35.3256 -29.223 -22.3703 -30.4747 32.2247 33.0226 -17.8563 30.9839 17.1234 TIMING: 2307600 CPU: 7209.72, 0.00308954/step Wall: 7209.72, 0.00308954/step, 2.31063 hours remaining, 234.109375 MB of memory in use. ENERGY: 2307600 4005.8221 20550.2293 14443.8603 232.9742 -202575.0977 2511.9732 0.0000 0.0000 52172.2473 -108657.9912 299.8346 -160830.2385 -108302.9394 299.9784 -238.5430 -208.4594 764685.9631 4.5470 4.6742 PRESSURE: 2307800 179.02 145.438 -40.3117 145.439 -0.924711 -74.1367 -40.3109 -74.1369 -242.912 GPRESSURE: 2307800 109.005 104.242 -139.503 228.319 69.7056 6.28405 1.00852 -225.243 -153.282 PRESSAVG: 2307800 -2.32724 -12.8432 19.01 -12.8432 -10.9682 12.3715 19.0099 12.3714 19.8324 GPRESSAVG: 2307800 -1.1957 -14.5044 21.8425 -10.616 -11.0274 11.0601 16.3168 12.9442 19.1376 TIMING: 2307800 CPU: 7210.33, 0.00309145/step Wall: 7210.33, 0.00309145/step, 2.31189 hours remaining, 234.109375 MB of memory in use. ENERGY: 2307800 3976.1185 20366.1395 14461.7940 239.8534 -203243.3695 2920.4473 0.0000 0.0000 52313.9105 -108965.1063 300.6488 -161279.0168 -108601.5739 300.0786 -21.6054 8.4761 762668.7743 2.1790 2.3048 PRESSURE: 2308000 -95.0189 -240.294 -30.1925 -240.294 -114.599 -43.9919 -30.1927 -43.9925 319.603 GPRESSURE: 2308000 -83.1233 -259.528 83.5008 -147.055 -41.4608 -7.78008 -163.822 2.51215 320.211 PRESSAVG: 2308000 -30.8876 -11.9747 12.895 -11.9747 29.253 -71.8261 12.895 -71.8261 -17.3803 GPRESSAVG: 2308000 -30.6911 -11.3186 10.654 -14.7083 29.0448 -71.3094 13.8666 -73.8474 -17.3928 TIMING: 2308000 CPU: 7210.95, 0.00309116/step Wall: 7210.95, 0.00309116/step, 2.3115 hours remaining, 234.109375 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: 2308000 4016.7734 20429.7640 14536.3975 250.5684 -203072.9283 2715.7758 0.0000 0.0000 51945.6452 -109178.0041 298.5323 -161123.6492 -108815.5315 299.5322 36.6616 65.2089 763050.3128 -6.3383 -6.3463 PRESSURE: 2308200 232.823 112.808 -14.1849 112.808 87.787 -360.561 -14.1853 -360.561 283.823 GPRESSURE: 2308200 302.568 102.639 19.763 92.6336 81.2631 -307.692 -35.2019 -241.345 319.175 PRESSAVG: 2308200 -7.47276 8.44437 35.337 8.4444 -47.4125 -15.9818 35.337 -15.9818 11.4438 GPRESSAVG: 2308200 -7.52089 8.72811 35.8897 10.5831 -48.6482 -16.6609 34.6038 -15.0428 12.5759 TIMING: 2308200 CPU: 7211.57, 0.00310228/step Wall: 7211.57, 0.00310228/step, 2.31965 hours remaining, 234.109375 MB of memory in use. ENERGY: 2308200 3970.6053 20456.7758 14473.2187 253.1387 -203146.6535 2727.2665 0.0000 0.0000 52117.8383 -109147.8103 299.5219 -161265.6485 -108771.9207 298.8901 201.4776 234.3353 763204.9144 -14.4805 -14.5311 LDB: ============= START OF LOAD BALANCING ============== 7224.05 LDB: ============== END OF LOAD BALANCING =============== 7224.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7224.05 LDB: ============= START OF LOAD BALANCING ============== 7224.36 LDB: Largest compute 7078 load 0.032058 is 16.4% of average load 0.195069 LDB: Average compute 0.004393 is 2.3% of average load 0.195069 LDB: TIME 7224.36 LOAD: AVG 0.195069 MAX 0.219484 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.078 MB LDB: TIME 7224.36 LOAD: AVG 0.195069 MAX 0.219484 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.121 MB LDB: TIME 7224.36 LOAD: AVG 0.195069 MAX 0.216992 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.121 MB LDB: ============== END OF LOAD BALANCING =============== 7224.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7224.37 PRESSURE: 2308400 -252.831 104.497 8.01946 104.497 -138.785 -60.5353 8.01972 -60.5354 -127.756 GPRESSURE: 2308400 -224.349 22.4153 -79.3582 75.7537 -62.1128 -108.63 4.19983 -58.6983 -150.567 PRESSAVG: 2308400 -20.3996 40.3889 0.0526558 40.3889 -26.2307 32.8231 0.0526702 32.823 36.3657 GPRESSAVG: 2308400 -19.6391 42.1535 -0.191484 38.6194 -25.3736 33.6436 0.675887 32.7866 35.0094 TIMING: 2308400 CPU: 7212.21, 0.00316502/step Wall: 7212.21, 0.00316502/step, 2.36638 hours remaining, 234.312500 MB of memory in use. ENERGY: 2308400 4021.3147 20606.7611 14436.3641 256.9103 -203122.2671 2808.0487 0.0000 0.0000 51995.8404 -108997.0277 298.8208 -160992.8681 -108637.5207 299.6299 -173.1239 -145.6763 763268.9108 -3.4215 -3.3345 PRESSURE: 2308600 -356.454 -33.1238 -284.002 -33.1246 -73.1336 -144.39 -284.002 -144.391 -405.777 GPRESSURE: 2308600 -309.966 19.6854 -312.033 -75.1401 -11.9797 -171.537 -282.034 -147.6 -434.315 PRESSAVG: 2308600 -10.7659 -26.2344 9.9036 -26.2345 -1.79446 48.3398 9.90363 48.3398 -4.12857 GPRESSAVG: 2308600 -11.4089 -26.0386 12.3256 -26.7281 0.366895 49.8868 7.647 47.0238 -4.93049 TIMING: 2308600 CPU: 7212.83, 0.00311456/step Wall: 7212.83, 0.00311456/step, 2.32848 hours remaining, 234.312500 MB of memory in use. ENERGY: 2308600 4037.8101 20502.3604 14460.5692 237.5510 -203207.8286 2592.1314 0.0000 0.0000 52480.1356 -108897.2709 301.6041 -161377.4065 -108531.8917 299.5395 -278.4548 -252.0871 762273.2420 -5.5630 -5.3242 PRESSURE: 2308800 -211.561 39.9599 -92.8508 39.9603 -0.745886 172.355 -92.8507 172.355 -2.65682 GPRESSURE: 2308800 -233.666 57.1257 -38.531 28.0803 37.9913 224.464 -40.1864 41.1169 44.2823 PRESSAVG: 2308800 25.6384 -33.5375 -16.325 -33.5375 -44.7076 21.7426 -16.3251 21.7426 -11.0686 GPRESSAVG: 2308800 24.7449 -33.5125 -19.5609 -33.3353 -45.3872 20.7698 -14.0952 22.4726 -10.8073 TIMING: 2308800 CPU: 7213.45, 0.00312652/step Wall: 7213.45, 0.00312652/step, 2.33724 hours remaining, 234.312500 MB of memory in use. ENERGY: 2308800 3944.3300 20421.9456 14538.4264 241.0653 -202934.9998 2576.7996 0.0000 0.0000 52166.7246 -109045.7082 299.8029 -161212.4328 -108683.2913 300.1394 -71.6547 -50.4642 762546.4955 -10.0459 -10.4832 PRESSURE: 2309000 3.54397 5.19354 -240.364 5.19321 104.933 -30.8656 -240.364 -30.8671 -18.3425 GPRESSURE: 2309000 25.6169 -5.7916 -152.749 -72.2847 172.042 -65.1836 -146.309 35.2775 -19.6236 PRESSAVG: 2309000 14.4141 8.36812 15.7475 8.36808 7.51884 35.2768 15.7474 35.2769 18.3229 GPRESSAVG: 2309000 14.5763 7.78912 16.809 9.26936 6.6495 35.5096 14.3506 33.9044 19.3029 TIMING: 2309000 CPU: 7214.07, 0.00310706/step Wall: 7214.07, 0.00310706/step, 2.32253 hours remaining, 234.312500 MB of memory in use. ENERGY: 2309000 4080.6574 20317.1007 14417.3100 267.5123 -203118.5501 2805.3569 0.0000 0.0000 52360.0307 -108870.5822 300.9138 -161230.6128 -108512.0804 300.1951 30.0448 59.3452 763585.2574 13.4186 13.5095 PRESSURE: 2309200 -418.24 -87.5347 -42.017 -87.5349 -427.732 -143.049 -42.0164 -143.048 462.902 GPRESSURE: 2309200 -317.094 -42.8146 -20.2021 42.3227 -324.61 -167.631 -58.3047 -138.367 356.441 PRESSAVG: 2309200 -40.3761 -25.7281 -8.38895 -25.7281 71.0991 40.0386 -8.38894 40.0386 -8.34945 GPRESSAVG: 2309200 -38.885 -26.1116 -8.159 -26.0692 70.457 39.5396 -5.29745 40.6998 -9.19609 TIMING: 2309200 CPU: 7214.69, 0.00309746/step Wall: 7214.69, 0.00309746/step, 2.31518 hours remaining, 234.312500 MB of memory in use. ENERGY: 2309200 4033.4624 20488.0151 14459.0307 246.7456 -203344.3721 2871.9794 0.0000 0.0000 52211.3364 -109033.8026 300.0593 -161245.1390 -108674.2016 300.1355 -127.6900 -95.0877 764382.7665 7.4578 7.4586 PRESSURE: 2309400 113.102 158.632 9.67318 158.632 117.592 67.9 9.6731 67.9004 -85.2468 GPRESSURE: 2309400 201.571 106.54 78.3971 54.3079 100.999 38.2993 67.0795 84.4909 -60.8162 PRESSAVG: 2309400 -43.4699 -65.5524 -26.8825 -65.5525 49.2412 30.9935 -26.8825 30.9935 3.55195 GPRESSAVG: 2309400 -44.4292 -64.99 -25.1756 -66.1678 49.7135 29.2352 -28.2535 33.544 3.98391 TIMING: 2309400 CPU: 7215.31, 0.00309099/step Wall: 7215.31, 0.00309098/step, 2.31017 hours remaining, 234.312500 MB of memory in use. ENERGY: 2309400 3976.1954 20492.0354 14478.5692 244.3907 -203093.3775 2673.3790 0.0000 0.0000 52167.8613 -109060.9466 299.8094 -161228.8078 -108699.4130 299.8269 48.4826 80.5847 763425.4344 3.1078 3.0894 PRESSURE: 2309600 23.3969 131.799 56.2321 131.799 -48.4189 133.107 56.2321 133.107 9.72807 GPRESSURE: 2309600 29.2788 68.1167 38.2374 128.99 61.014 124.528 53.9586 83.8252 -16.5564 PRESSAVG: 2309600 -47.8436 11.347 -13.7787 11.347 75.255 -42.9039 -13.7787 -42.9039 17.8181 GPRESSAVG: 2309600 -47.9696 8.8288 -14.912 11.7837 74.6145 -42.2538 -15.0697 -43.675 17.9357 TIMING: 2309600 CPU: 7215.93, 0.00310704/step Wall: 7215.93, 0.00310704/step, 2.322 hours remaining, 234.312500 MB of memory in use. ENERGY: 2309600 3955.7985 20452.1755 14429.2560 248.0959 -203379.8272 2748.2112 0.0000 0.0000 52225.2476 -109321.0424 300.1392 -161546.2899 -108959.1670 299.5041 -5.0980 24.5788 762717.7631 15.0765 14.8602 PRESSURE: 2309800 69.372 -112.319 300.767 -112.32 120.318 469.687 300.767 469.687 -19.9142 GPRESSURE: 2309800 11.8767 -31.199 320.558 -51.1526 198.475 344.688 338.981 398.113 44.3644 PRESSAVG: 2309800 -76.9148 65.505 -5.72884 65.505 69.7789 67.098 -5.72885 67.0979 -0.37982 GPRESSAVG: 2309800 -76.693 68.9026 -6.79568 66.763 69.3815 67.4021 -5.40093 65.3185 -0.518776 TIMING: 2309800 CPU: 7216.56, 0.00310729/step Wall: 7216.56, 0.00310729/step, 2.32201 hours remaining, 234.312500 MB of memory in use. ENERGY: 2309800 3969.4187 20365.7382 14396.4536 227.4605 -202953.0137 2700.3766 0.0000 0.0000 52166.3680 -109127.1982 299.8008 -161293.5662 -108761.3250 299.1697 56.5919 84.9055 763208.9637 -2.5052 -2.6101 PRESSURE: 2310000 19.4494 28.7589 14.7259 28.7597 404.083 -10.3524 14.7254 -10.352 55.4547 GPRESSURE: 2310000 59.9774 -67.443 60.7391 -11.8412 379.243 36.1868 -89.1916 20.948 125.43 PRESSAVG: 2310000 -42.5776 12.6066 18.6461 12.6067 54.8745 -15.0208 18.6461 -15.0208 -5.78662 GPRESSAVG: 2310000 -43.2374 13.4128 19.9558 11.9082 54.8676 -14.4734 18.3316 -13.6258 -4.96382 TIMING: 2310000 CPU: 7217.17, 0.00309373/step Wall: 7217.17, 0.00309373/step, 2.31171 hours remaining, 234.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2310000 4004.6844 20612.6123 14397.7674 261.0332 -203177.6039 2713.1934 0.0000 0.0000 52172.3381 -109015.9750 299.8351 -161188.3131 -108652.8911 299.9181 159.6625 188.2170 761201.3762 2.1701 2.2221 PRESSURE: 2310200 -385.328 29.7764 27.1681 29.7769 -128.799 -49.041 27.1684 -49.0419 -575.701 GPRESSURE: 2310200 -358.726 57.7538 -3.00106 29.2138 -102.001 -84.2587 35.2153 -30.8674 -547.783 PRESSAVG: 2310200 -36.68 -3.90317 -31.6816 -3.90314 69.2419 -15.4781 -31.6816 -15.4782 4.18922 GPRESSAVG: 2310200 -36.6746 -6.93305 -33.5287 -3.57742 69.554 -16.3425 -30.4741 -16.2038 3.59745 TIMING: 2310200 CPU: 7217.8, 0.00311353/step Wall: 7217.8, 0.00311353/step, 2.32633 hours remaining, 234.312500 MB of memory in use. ENERGY: 2310200 4092.6146 20442.9683 14514.0334 243.9532 -203098.4072 2608.3784 0.0000 0.0000 52243.5817 -108952.8776 300.2446 -161196.4593 -108589.9937 300.0110 -363.2759 -336.1699 762864.7133 12.2504 12.1590 PRESSURE: 2310400 -44.385 -2.20073 -45.0736 -2.20147 -268.737 -21.109 -45.0734 -21.1089 14.2391 GPRESSURE: 2310400 -14.5835 -57.8086 -90.8747 -18.0423 -174.157 -81.2757 23.7369 28.7526 -7.88798 PRESSAVG: 2310400 -37.1093 -0.546875 8.48538 -0.546921 48.4699 80.9493 8.48541 80.9492 -5.18843 GPRESSAVG: 2310400 -36.3441 1.14243 9.21427 -0.274294 48.3558 82.6621 6.73679 79.5023 -6.15302 TIMING: 2310400 CPU: 7218.42, 0.00310606/step Wall: 7218.42, 0.00310606/step, 2.32057 hours remaining, 234.312500 MB of memory in use. ENERGY: 2310400 4004.9792 20391.2234 14474.8292 256.6930 -203213.8611 2744.5174 0.0000 0.0000 52193.5255 -109148.0934 299.9569 -161341.6189 -108781.1741 300.1091 -99.6277 -65.5428 762729.6454 2.0574 1.9529 PRESSURE: 2310600 266.47 -86.8995 270.148 -86.9014 249.304 9.74404 270.147 9.74302 70.0717 GPRESSURE: 2310600 179.121 -105.674 302.621 -168.807 375.939 -39.806 165.847 -59.9946 126.121 PRESSAVG: 2310600 -10.3772 24.0284 6.58835 24.0284 42.5589 18.1894 6.58833 18.1893 15.6741 GPRESSAVG: 2310600 -10.6439 22.8145 6.84803 22.6763 41.5493 17.9899 7.48007 18.9009 16.607 TIMING: 2310600 CPU: 7219.04, 0.00310647/step Wall: 7219.04, 0.00310647/step, 2.3207 hours remaining, 234.312500 MB of memory in use. ENERGY: 2310600 3959.2472 20581.7465 14473.5244 243.4926 -203223.8453 2827.0425 0.0000 0.0000 52150.1217 -108988.6703 299.7075 -161138.7921 -108624.8442 299.7651 195.2818 227.0604 762256.7730 15.9519 15.8375 PRESSURE: 2310800 -86.7075 -62.1064 31.2489 -62.1057 174.583 88.5157 31.249 88.5152 -158.333 GPRESSURE: 2310800 27.7502 -89.8978 -11.4262 -32.1451 76.1784 -65.0895 49.5397 140.72 -94.2626 PRESSAVG: 2310800 -67.9728 38.6101 -12.7281 38.6101 46.9584 -13.3153 -12.7281 -13.3154 -9.94509 GPRESSAVG: 2310800 -68.1232 40.6668 -13.3997 37.8417 47.0293 -14.4633 -11.7429 -13.2196 -9.73895 TIMING: 2310800 CPU: 7219.66, 0.00311317/step Wall: 7219.66, 0.00311317/step, 2.32553 hours remaining, 234.312500 MB of memory in use. ENERGY: 2310800 4045.6909 20535.2075 14514.9116 235.7762 -203497.7398 2785.3485 0.0000 0.0000 52189.1965 -109191.6086 299.9320 -161380.8051 -108834.2398 299.5494 -23.4858 3.2220 762872.5534 -10.3198 -10.2776 PRESSURE: 2311000 -197.915 -34.1274 129.826 -34.128 -210.835 113.538 129.825 113.539 -22.4166 GPRESSURE: 2311000 -151.566 77.6895 166.925 -68.9523 -150.954 107.042 35.1975 287.942 -31.056 PRESSAVG: 2311000 -44.2095 10.2495 23.8864 10.2495 27.3162 -11.8386 23.8864 -11.8386 17.5516 GPRESSAVG: 2311000 -43.6196 9.33419 23.0589 11.6028 27.1554 -11.7055 23.007 -10.4418 16.8283 TIMING: 2311000 CPU: 7220.29, 0.00312089/step Wall: 7220.29, 0.00312089/step, 2.33113 hours remaining, 234.312500 MB of memory in use. ENERGY: 2311000 3979.7391 20542.9506 14420.0455 230.1540 -203211.3509 2647.9768 0.0000 0.0000 51997.0362 -109393.4486 298.8277 -161390.4849 -109025.7599 299.5562 -143.7222 -111.1920 761118.2913 0.2194 0.1214 PRESSURE: 2311200 -141.875 -147.556 0.791353 -147.556 -364.722 7.578 0.790859 7.57795 160.159 GPRESSURE: 2311200 -166.486 -209.818 25.7408 -174.157 -263.217 -100.772 -32.1784 91.0099 161.618 PRESSAVG: 2311200 12.5757 -31.4935 2.86199 -31.4935 -33.1754 34.6224 2.862 34.6225 -20.0812 GPRESSAVG: 2311200 11.5369 -32.1463 4.10648 -29.128 -32.1076 35.4313 1.95959 32.7672 -20.3858 TIMING: 2311200 CPU: 7220.91, 0.00309728/step Wall: 7220.91, 0.00309728/step, 2.31332 hours remaining, 234.570312 MB of memory in use. ENERGY: 2311200 4041.1652 20768.1931 14476.3832 253.1461 -203515.8799 2680.4947 0.0000 0.0000 51907.1733 -109389.3242 298.3112 -161296.4975 -109035.0349 299.5069 -115.4795 -89.3620 761458.8142 -13.5603 -13.6522 PRESSURE: 2311400 121.188 -141.726 -140.466 -141.726 -279.763 -147.754 -140.465 -147.754 146.935 GPRESSURE: 2311400 99.2941 -214.772 -177.3 -55.3731 -219.79 -220.714 -158.632 -93.5182 178.182 PRESSAVG: 2311400 -10.6507 2.22345 -5.67418 2.22337 -6.57644 45.7803 -5.67421 45.7803 11.6253 GPRESSAVG: 2311400 -10.0515 3.41895 -5.74615 -0.348218 -6.30202 46.3355 -5.58236 45.451 11.0721 TIMING: 2311400 CPU: 7221.53, 0.00310084/step Wall: 7221.53, 0.00310084/step, 2.31581 hours remaining, 234.570312 MB of memory in use. ENERGY: 2311400 4000.9015 20761.0893 14333.3709 230.8508 -203339.4418 2677.2971 0.0000 0.0000 51862.9746 -109472.9575 298.0572 -161335.9321 -109115.4733 299.3679 -3.8800 19.2285 762029.1806 -1.8673 -1.7605 PRESSURE: 2311600 249.746 71.3902 179.071 71.3891 -52.6631 -10.3883 179.071 -10.389 353.618 GPRESSURE: 2311600 224.18 -3.48451 131.09 116.305 53.0426 -75.2436 131.21 76.1147 346.166 PRESSAVG: 2311600 52.266 24.0048 66.0227 24.0047 -45.1714 -33.8329 66.0227 -33.8329 15.1819 GPRESSAVG: 2311600 51.7977 23.283 67.4905 23.9579 -44.9542 -34.6623 65.3071 -30.903 15.5093 TIMING: 2311600 CPU: 7222.15, 0.00311292/step Wall: 7222.15, 0.00311292/step, 2.32466 hours remaining, 234.570312 MB of memory in use. ENERGY: 2311600 3914.9488 20653.2333 14413.5130 249.5118 -203697.2367 2910.6513 0.0000 0.0000 52089.4428 -109465.9358 299.3587 -161555.3786 -109104.6251 299.4234 183.5670 207.7961 762299.4122 7.4255 7.4509 PRESSURE: 2311800 -6.49981 11.336 -165.656 11.336 -2.96258 122.996 -165.655 122.996 10.4471 GPRESSURE: 2311800 71.4415 21.6557 -144.609 96.4463 -53.2496 52.4399 -131.682 80.4887 82.5548 PRESSAVG: 2311800 54.8897 -2.34193 8.94641 -2.34192 -9.5938 -38.4699 8.94648 -38.4698 23.4522 GPRESSAVG: 2311800 55.9369 -1.39175 8.56738 -3.68735 -10.8674 -37.9281 10.2848 -40.6736 23.7623 TIMING: 2311800 CPU: 7222.77, 0.00310294/step Wall: 7222.77, 0.00310294/step, 2.31704 hours remaining, 234.570312 MB of memory in use. ENERGY: 2311800 3996.9799 20453.5001 14410.8957 241.4937 -203645.1893 2817.6133 0.0000 0.0000 52424.5543 -109300.1523 301.2846 -161724.7066 -108926.3915 299.5119 0.3282 33.5823 761520.8024 22.9160 22.9439 PRESSURE: 2312000 -506.483 -156.266 -22.8492 -156.266 -136.056 104.301 -22.849 104.301 79.5472 GPRESSURE: 2312000 -318.641 -115.564 81.2797 -87.5695 -126.422 248.203 -23.1467 -46.786 -22.6102 PRESSAVG: 2312000 -41.2674 17.575 -7.95391 17.575 -29.2422 -48.3402 -7.95391 -48.3403 12.5428 GPRESSAVG: 2312000 -40.7443 17.4897 -9.36407 18.265 -29.6688 -46.4117 -7.59437 -48.6219 12.3588 TIMING: 2312000 CPU: 7223.39, 0.00309795/step Wall: 7223.39, 0.00309794/step, 2.31313 hours remaining, 234.570312 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: 2312000 4008.6568 20480.0542 14429.8992 254.7966 -203433.5144 2633.5368 0.0000 0.0000 52127.2783 -109499.2925 299.5762 -161626.5708 -109135.4493 299.7186 -187.6639 -155.8909 759992.1659 -19.3223 -19.3514 PRESSURE: 2312200 231.746 18.3375 264.076 18.3372 -97.3664 176.704 264.076 176.704 -128.79 GPRESSURE: 2312200 195.685 57.4591 279.319 13.8979 -19.9226 163.081 365.838 214.501 -80.2946 PRESSAVG: 2312200 -29.4914 -4.85185 -20.4186 -4.85193 19.5894 5.21764 -20.4186 5.21765 -21.9829 GPRESSAVG: 2312200 -31.8693 -4.50522 -19.8507 -2.96372 21.6794 4.28698 -20.5068 5.33855 -21.7659 TIMING: 2312200 CPU: 7224.02, 0.0031488/step Wall: 7224.02, 0.00314881/step, 2.35093 hours remaining, 234.570312 MB of memory in use. ENERGY: 2312200 3954.9711 20599.7788 14375.2827 247.3331 -203445.6751 2675.4739 0.0000 0.0000 51913.3980 -109679.4375 298.3470 -161592.8356 -109319.6241 299.6889 1.8630 31.8225 761270.1423 -10.6283 -10.6519 LDB: ============= START OF LOAD BALANCING ============== 7236.5 LDB: ============== END OF LOAD BALANCING =============== 7236.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7236.5 LDB: ============= START OF LOAD BALANCING ============== 7236.81 LDB: Largest compute 7068 load 0.031697 is 16.2% of average load 0.195074 LDB: Average compute 0.004382 is 2.2% of average load 0.195074 LDB: TIME 7236.82 LOAD: AVG 0.195074 MAX 0.214885 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.41 MB LDB: TIME 7236.82 LOAD: AVG 0.195074 MAX 0.214885 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.414 MB LDB: TIME 7236.82 LOAD: AVG 0.195074 MAX 0.214885 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.414 MB LDB: ============== END OF LOAD BALANCING =============== 7236.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7236.82 PRESSURE: 2312400 -126.599 72.693 29.6696 72.6928 75.1517 -156.996 29.6694 -156.995 176.92 GPRESSURE: 2312400 -59.242 13.061 80.5638 118.286 131.752 -261.487 -7.91557 -190.847 154.766 PRESSAVG: 2312400 -3.78312 51.1254 11.7801 51.1254 -19.0113 -30.1362 11.7802 -30.1363 -0.14027 GPRESSAVG: 2312400 -2.57292 49.924 12.8187 49.5491 -20.0899 -30.4237 10.3247 -30.075 -0.216649 TIMING: 2312400 CPU: 7224.66, 0.00319198/step Wall: 7224.66, 0.00319198/step, 2.38299 hours remaining, 234.253906 MB of memory in use. ENERGY: 2312400 4005.9589 20384.8551 14431.1546 269.0213 -203338.4780 2493.1291 0.0000 0.0000 52043.8476 -109710.5114 299.0967 -161754.3590 -109335.9554 298.5352 41.8243 75.7586 761435.5939 -7.6449 -7.6265 PRESSURE: 2312600 -88.5773 -54.1705 160.96 -54.1697 -312.763 -57.9433 160.96 -57.943 225.418 GPRESSURE: 2312600 20.2829 -119.281 96.5662 39.0597 -289.802 -71.4062 40.2747 -102.465 190.673 PRESSAVG: 2312600 50.2233 1.84659 23.4653 1.84657 -15.2522 -19.7129 23.4653 -19.713 11.9244 GPRESSAVG: 2312600 51.156 2.65235 22.365 2.58032 -15.7096 -19.6567 23.0393 -19.6058 11.6541 TIMING: 2312600 CPU: 7225.28, 0.00309322/step Wall: 7225.28, 0.00309322/step, 2.30909 hours remaining, 234.253906 MB of memory in use. ENERGY: 2312600 3900.6623 20355.0216 14379.2078 251.6278 -202892.2497 2404.9121 0.0000 0.0000 51986.0632 -109614.7550 298.7646 -161600.8181 -109238.9565 299.0228 -58.6409 -26.2819 762103.9891 15.6318 15.7001 PRESSURE: 2312800 -172.252 85.2198 -108.472 85.2191 56.4442 146.064 -108.472 146.064 46.7979 GPRESSURE: 2312800 -142.459 117.431 -114.126 175.624 98.9234 112.924 33.8525 230.267 39.2733 PRESSAVG: 2312800 3.59502 25.7224 1.97119 25.7224 27.1683 -10.6576 1.97123 -10.6576 -20.6531 GPRESSAVG: 2312800 2.76608 24.8447 3.04481 25.8997 27.7612 -12.6525 2.54038 -10.0017 -20.3048 TIMING: 2312800 CPU: 7225.9, 0.00310232/step Wall: 7225.9, 0.00310232/step, 2.31571 hours remaining, 234.253906 MB of memory in use. ENERGY: 2312800 3957.8067 20527.7477 14364.3513 254.0251 -203427.8737 2721.2999 0.0000 0.0000 51979.7527 -109622.8903 298.7284 -161602.6430 -109259.9608 298.7573 -23.0034 -1.4209 760015.9065 3.3701 3.4075 PRESSURE: 2313000 433.954 67.8685 -56.8169 67.8684 348.048 -63.1946 -56.8176 -63.1941 434.094 GPRESSURE: 2313000 454.262 50.099 -29.2102 75.8354 438.421 -161.269 -52.3515 -0.369503 401.397 PRESSAVG: 2313000 42.2458 -1.48052 18.7125 -1.48059 -1.5525 17.7379 18.7124 17.738 -6.40558 GPRESSAVG: 2313000 41.6005 -1.17252 19.116 -0.445543 -0.361823 18.1365 20.5153 17.3107 -7.09845 TIMING: 2313000 CPU: 7226.52, 0.00311632/step Wall: 7226.52, 0.00311632/step, 2.32599 hours remaining, 234.253906 MB of memory in use. ENERGY: 2313000 3913.6583 20582.0478 14409.4544 231.7418 -203433.8660 2731.5837 0.0000 0.0000 52151.5994 -109413.7807 299.7160 -161565.3800 -109047.5089 299.0256 405.3651 431.3600 760662.8530 11.4292 11.3801 PRESSURE: 2313200 55.7045 167.092 -300.496 167.092 -133.234 46.2371 -300.497 46.2377 -302.878 GPRESSURE: 2313200 90.1676 83.8225 -378.011 108.986 -88.993 41.6665 -158.847 -47.3583 -266.895 PRESSAVG: 2313200 3.32965 19.5814 -50.8479 19.5814 -31.9284 -29.2693 -50.848 -29.2693 -15.4943 GPRESSAVG: 2313200 3.81351 18.3978 -52.0273 19.5481 -32.4224 -28.9065 -51.4322 -29.4595 -15.1897 TIMING: 2313200 CPU: 7227.14, 0.0031205/step Wall: 7227.14, 0.0031205/step, 2.32894 hours remaining, 234.253906 MB of memory in use. ENERGY: 2313200 3969.0620 20477.7660 14472.8588 245.2662 -202961.3648 2441.5293 0.0000 0.0000 51958.5770 -109396.3053 298.6067 -161354.8823 -109040.7758 298.5713 -126.8024 -88.5736 760996.7332 -14.6977 -14.5995 PRESSURE: 2313400 141.509 216.366 69.6923 216.365 132.436 -199.625 69.6914 -199.625 295.877 GPRESSURE: 2313400 186.339 226.225 39.4797 65.8301 139.841 -261.7 -43.7189 -146.985 327.741 PRESSAVG: 2313400 22.2401 -8.04302 -18.8786 -8.043 -3.28391 -34.5309 -18.8786 -34.5309 -13.682 GPRESSAVG: 2313400 21.8635 -8.29894 -18.6204 -9.63584 -2.92262 -35.1835 -20.6188 -33.5462 -14.0435 TIMING: 2313400 CPU: 7227.76, 0.00310318/step Wall: 7227.76, 0.00310318/step, 2.31583 hours remaining, 234.253906 MB of memory in use. ENERGY: 2313400 3943.7222 20545.3845 14486.1228 252.3478 -203170.2791 2783.7884 0.0000 0.0000 51861.3195 -109297.5938 298.0477 -161158.9134 -108944.6684 298.5732 189.9405 217.9737 761547.6273 1.7581 1.6325 PRESSURE: 2313600 -161.983 -22.1404 3.01408 -22.1405 -131.601 99.0676 3.01376 99.0676 -111.53 GPRESSURE: 2313600 -115.779 -23.5543 -44.4545 17.1219 -52.364 52.7741 113.165 11.6427 -144.586 PRESSAVG: 2313600 26.02 -4.04241 0.95221 -4.04239 2.87039 -40.0171 0.952192 -40.0171 19.8013 GPRESSAVG: 2313600 26.682 -0.524584 2.81009 -3.39651 1.90561 -38.8556 2.10338 -41.6682 19.7285 TIMING: 2313600 CPU: 7228.39, 0.00311175/step Wall: 7228.39, 0.00311175/step, 2.32205 hours remaining, 234.253906 MB of memory in use. ENERGY: 2313600 3966.6123 20474.6376 14386.9006 239.1199 -203199.7343 2765.4691 0.0000 0.0000 51857.0360 -109509.9588 298.0231 -161366.9948 -109149.0332 299.4074 -135.0381 -104.2429 763270.6156 16.2306 16.1054 PRESSURE: 2313800 -259.985 75.7306 137.953 75.7299 -84.3691 -10.381 137.953 -10.3798 54.2341 GPRESSURE: 2313800 -254.659 -23.75 102.843 24.9591 -58.4679 -28.8349 80.3365 30.112 74.3235 PRESSAVG: 2313800 -21.4828 -10.643 -5.14329 -10.643 -1.7069 -48.1323 -5.14333 -48.1323 0.686104 GPRESSAVG: 2313800 -22.6134 -13.412 -7.30455 -9.66799 -1.78756 -48.5603 -4.66591 -47.7628 1.94778 TIMING: 2313800 CPU: 7229.01, 0.00311565/step Wall: 7229.01, 0.00311565/step, 2.3248 hours remaining, 234.253906 MB of memory in use. ENERGY: 2313800 3958.0151 20594.2166 14379.1728 252.8591 -203233.0934 2661.3396 0.0000 0.0000 51875.6689 -109511.8213 298.1302 -161387.4902 -109161.6090 298.3188 -96.7065 -79.6012 763072.7136 -7.5012 -7.4844 PRESSURE: 2314000 -249.614 64.0196 12.4308 64.0182 -344.112 -62.0499 12.4313 -62.0512 -96.4563 GPRESSURE: 2314000 -263.853 109.685 -56.5256 6.30243 -245.307 -137.116 19.201 25.373 -79.7359 PRESSAVG: 2314000 18.06 16.7073 -27.4638 16.7073 59.5028 -15.9306 -27.4638 -15.9307 -4.15619 GPRESSAVG: 2314000 18.6743 16.2213 -26.463 16.2856 60.6995 -17.858 -28.6164 -14.2257 -5.47565 TIMING: 2314000 CPU: 7229.63, 0.00311052/step Wall: 7229.63, 0.00311051/step, 2.32079 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2314000 3997.0164 20618.9410 14339.9031 242.7127 -202535.1422 2119.6549 0.0000 0.0000 51582.7820 -109634.1320 296.4470 -161216.9140 -109277.9917 298.1190 -230.0606 -196.2987 763124.2854 24.4689 24.6327 PRESSURE: 2314200 -305.356 188.836 -108.203 188.836 134.471 75.0516 -108.203 75.052 330.314 GPRESSURE: 2314200 -265.606 148.416 -112.989 271.612 208.792 143.826 -110.622 -93.4617 302.026 PRESSAVG: 2314200 21.2854 0.233683 -31.2329 0.233732 8.27716 37.6943 -31.2329 37.6943 2.99882 GPRESSAVG: 2314200 22.5654 2.08968 -31.5214 1.57078 6.65129 39.1874 -31.5993 35.8964 3.17638 TIMING: 2314200 CPU: 7230.26, 0.00312843/step Wall: 7230.26, 0.00312843/step, 2.33398 hours remaining, 234.253906 MB of memory in use. ENERGY: 2314200 3978.0229 20373.0628 14490.5018 240.6014 -203383.7599 2706.5411 0.0000 0.0000 52220.4204 -109374.6096 300.1115 -161595.0300 -109010.9324 298.4800 53.1433 81.7374 762259.1499 10.8538 10.7977 PRESSURE: 2314400 -133.863 60.2955 -121.711 60.2943 28.4981 60.8922 -121.712 60.8909 -129.79 GPRESSURE: 2314400 -41.8494 204.1 -145.206 126.853 -51.1199 72.4906 -99.924 108.274 -51.6192 PRESSAVG: 2314400 15.7428 -7.09662 -53.9461 -7.09661 7.86443 31.3708 -53.9461 31.3708 -10.684 GPRESSAVG: 2314400 14.9386 -6.82982 -53.4355 -7.4534 7.99562 33.021 -54.2179 32.0966 -9.55965 TIMING: 2314400 CPU: 7230.88, 0.00312861/step Wall: 7230.88, 0.00312861/step, 2.33394 hours remaining, 234.253906 MB of memory in use. ENERGY: 2314400 3877.0145 20499.6754 14464.2596 236.2662 -202966.8516 2567.4943 0.0000 0.0000 52253.3496 -109068.7919 300.3007 -161322.1415 -108712.3810 299.1126 -78.3851 -48.1962 763442.8642 4.3077 4.4582 PRESSURE: 2314600 -0.602111 0.0904916 -17.6213 0.0912588 185.435 174.938 -17.6222 174.937 321.176 GPRESSURE: 2314600 68.6334 -21.9301 91.4115 55.2853 230.207 196.994 34.5731 73.3119 262.619 PRESSAVG: 2314600 -19.7829 34.3882 -8.55855 34.3881 18.2334 40.1983 -8.55849 40.1983 4.31146 GPRESSAVG: 2314600 -19.0956 33.5124 -7.99406 32.77 18.5551 38.958 -10.872 41.4758 2.97008 TIMING: 2314600 CPU: 7231.51, 0.00312934/step Wall: 7231.51, 0.00312935/step, 2.33432 hours remaining, 234.253906 MB of memory in use. ENERGY: 2314600 3950.8427 20547.9917 14376.6636 236.3548 -202845.1459 2575.4738 0.0000 0.0000 52193.7804 -108964.0388 299.9584 -161157.8192 -108604.9963 300.3204 168.6699 187.1533 761071.0907 0.9206 0.8099 PRESSURE: 2314800 -7.43045 -182.252 81.5628 -182.252 -331.482 -52.8767 81.5627 -52.8766 211.305 GPRESSURE: 2314800 21.7489 7.78088 105.735 -201.856 -318.597 -128.728 65.485 -27.6262 233.998 PRESSAVG: 2314800 -13.6763 -15.9633 61.0493 -15.9633 -15.0411 -0.26259 61.0493 -0.262533 -8.81197 GPRESSAVG: 2314800 -13.6714 -14.9426 59.9633 -16.6827 -15.9976 -0.413851 62.9274 -1.85513 -8.10389 TIMING: 2314800 CPU: 7232.13, 0.00312125/step Wall: 7232.13, 0.00312125/step, 2.32811 hours remaining, 234.253906 MB of memory in use. ENERGY: 2314800 3972.1235 20669.5941 14404.5391 239.9336 -203240.6687 2694.1613 0.0000 0.0000 52317.1924 -108943.1247 300.6676 -161260.3171 -108586.5049 299.8799 -42.5359 -20.9498 762269.8999 -12.5098 -12.5910 PRESSURE: 2315000 -207.109 116.939 62.2992 116.939 -343.448 279.846 62.2984 279.847 -262.004 GPRESSURE: 2315000 -274.566 43.6544 54.2339 65.4524 -221.917 256.351 115.836 234.426 -227.484 PRESSAVG: 2315000 -24.8125 8.41942 -0.39485 8.41947 11.3274 -12.4315 -0.394818 -12.4315 12.3912 GPRESSAVG: 2315000 -26.6078 8.96702 -1.18138 9.33183 13.6566 -12.5217 -0.569984 -11.5675 12.2223 TIMING: 2315000 CPU: 7232.76, 0.003138/step Wall: 7232.76, 0.003138/step, 2.34043 hours remaining, 234.253906 MB of memory in use. ENERGY: 2315000 3971.5905 20585.8245 14427.1810 257.6434 -203305.9304 2571.6811 0.0000 0.0000 52350.8364 -109141.1735 300.8610 -161492.0099 -108780.3583 300.1240 -270.8535 -241.3221 763411.0294 -0.3646 -0.2430 PRESSURE: 2315200 81.1991 9.07582 -323.353 9.07621 57.3555 186.513 -323.352 186.514 -313.164 GPRESSURE: 2315200 57.3158 -55.5148 -316.717 61.9548 160.016 228.264 -169.548 70.4697 -311.83 PRESSAVG: 2315200 -27.4691 8.60645 -28.5173 8.60649 65.8896 -28.0827 -28.5173 -28.0826 -16.9977 GPRESSAVG: 2315200 -26.1986 6.10261 -28.0342 12.2991 65.6574 -26.433 -26.9889 -31.1991 -17.9489 TIMING: 2315200 CPU: 7233.38, 0.00310521/step Wall: 7233.38, 0.00310521/step, 2.3158 hours remaining, 234.253906 MB of memory in use. ENERGY: 2315200 4005.6461 20414.4941 14388.8162 240.0060 -203219.5785 2634.5988 0.0000 0.0000 51983.3535 -109552.6640 298.7490 -161536.0174 -109175.7030 299.6563 -58.2031 -31.4993 762463.3541 7.1409 7.1700 PRESSURE: 2315400 247.369 -30.5181 -63.1824 -30.5178 69.2976 -182.644 -63.1819 -182.643 -99.2151 GPRESSURE: 2315400 238.837 -44.4592 -87.4156 -65.8461 139.305 -197.714 -178.001 -210.706 -66.8618 PRESSAVG: 2315400 2.96925 17.2425 -3.04441 17.2424 -12.0906 2.96268 -3.04447 2.96277 -9.78974 GPRESSAVG: 2315400 2.41261 19.0944 -1.91847 13.1762 -12.1847 0.236044 -4.85737 4.56986 -9.51063 TIMING: 2315400 CPU: 7234, 0.00309317/step Wall: 7234, 0.00309317/step, 2.30665 hours remaining, 234.253906 MB of memory in use. ENERGY: 2315400 3976.3409 20567.6147 14503.8770 254.3767 -203588.9293 2796.8664 0.0000 0.0000 52238.9582 -109250.8954 300.2180 -161489.8536 -108893.2481 298.9504 72.4839 103.7601 762153.3497 -6.3037 -6.4276 PRESSURE: 2315600 -439.958 198.223 -30.1218 198.223 -199.233 -180.816 -30.1221 -180.817 -654.587 GPRESSURE: 2315600 -450.273 201.375 -59.7764 301.245 -193.77 -109.215 122.487 -226.269 -559.805 PRESSAVG: 2315600 -71.323 65.6305 -44.0095 65.6305 37.735 -59.6371 -44.0094 -59.6372 2.52741 GPRESSAVG: 2315600 -70.5453 66.4694 -45.6457 67.5854 36.6068 -57.6661 -43.2757 -60.479 3.16594 TIMING: 2315600 CPU: 7234.63, 0.00312932/step Wall: 7234.63, 0.00312932/step, 2.33343 hours remaining, 234.253906 MB of memory in use. ENERGY: 2315600 4101.4915 20667.3064 14374.8676 226.4861 -203054.1019 2644.0774 0.0000 0.0000 51833.0778 -109206.7951 297.8854 -161039.8729 -108846.3594 299.5281 -431.2593 -401.2825 765760.1217 -10.3535 -10.2575 PRESSURE: 2315800 -101.159 0.639479 -0.0123569 0.639943 298.087 58.8857 -0.0131788 58.8862 -493.889 GPRESSURE: 2315800 -113.769 -39.1403 32.7512 48.4839 330.65 1.205 39.2408 3.36974 -435.91 PRESSAVG: 2315800 -44.452 17.3247 -66.5241 17.3246 20.9613 -12.7849 -66.5242 -12.7849 22.8103 GPRESSAVG: 2315800 -44.0261 15.3451 -65.1238 16.0649 21.2155 -15.1296 -67.8628 -11.2633 22.5425 TIMING: 2315800 CPU: 7235.25, 0.00311197/step Wall: 7235.25, 0.00311197/step, 2.32032 hours remaining, 234.253906 MB of memory in use. ENERGY: 2315800 3982.4236 20657.6827 14372.6241 241.8587 -203376.4506 2735.8915 0.0000 0.0000 52029.0846 -109356.8855 299.0119 -161385.9701 -108995.7826 299.1352 -98.9869 -73.0096 761998.8080 -0.2268 -0.0894 PRESSURE: 2316000 161.343 -59.8733 88.4498 -59.8737 -13.898 248.921 88.4501 248.922 -122.234 GPRESSURE: 2316000 172.858 43.6326 62.6288 -36.5786 35.0323 240.091 93.3453 173.131 -118.719 PRESSAVG: 2316000 -15.6321 58.0781 15.5461 58.0781 46.4484 4.88041 15.5461 4.88044 1.40367 GPRESSAVG: 2316000 -15.8277 57.7046 15.1536 59.0687 46.0734 8.1143 18.4569 3.36068 1.52399 TIMING: 2316000 CPU: 7235.87, 0.00311683/step Wall: 7235.87, 0.00311683/step, 2.32377 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2316000 4038.4305 20627.3875 14451.2426 248.1417 -203364.4683 2750.4571 0.0000 0.0000 51919.6554 -109329.1536 298.3830 -161248.8090 -108981.1683 299.1469 8.4036 29.7235 762093.1405 10.7400 10.5899 PRESSURE: 2316200 17.4223 314.622 -36.8659 314.623 -71.332 33.6954 -36.8654 33.695 -64.52 GPRESSURE: 2316200 8.43255 261.438 1.18429 296.12 7.79876 -0.233705 -28.118 99.0997 -43.8365 PRESSAVG: 2316200 -13.3415 23.4741 -6.2706 23.4741 -5.60771 -1.73212 -6.27061 -1.73212 25.3774 GPRESSAVG: 2316200 -13.3206 25.8669 -7.75843 24.3107 -5.51579 -2.84644 -8.05308 0.175227 25.5159 TIMING: 2316200 CPU: 7236.49, 0.00311472/step Wall: 7236.49, 0.00311472/step, 2.32202 hours remaining, 234.253906 MB of memory in use. ENERGY: 2316200 3958.0723 20548.4689 14413.7870 244.6562 -203256.7306 2662.8741 0.0000 0.0000 52281.3251 -109147.5469 300.4615 -161428.8719 -108772.1838 299.7674 -39.4766 -9.2017 764050.9942 2.1427 2.2265 LDB: ============= START OF LOAD BALANCING ============== 7248.97 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7248.97 LDB: =============== DONE WITH MIGRATION ================ 7248.98 LDB: ============= START OF LOAD BALANCING ============== 7249.29 LDB: Largest compute 7068 load 0.031765 is 16.3% of average load 0.194982 LDB: Average compute 0.004407 is 2.3% of average load 0.194982 LDB: TIME 7249.29 LOAD: AVG 0.194982 MAX 0.214637 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.023 MB LDB: TIME 7249.29 LOAD: AVG 0.194982 MAX 0.214637 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.023 MB LDB: TIME 7249.29 LOAD: AVG 0.194982 MAX 0.214637 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.023 MB LDB: ============== END OF LOAD BALANCING =============== 7249.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7249.3 PRESSURE: 2316400 -156.199 79.6739 173.583 79.6735 -26.7445 174.326 173.583 174.326 71.8843 GPRESSURE: 2316400 -60.732 35.1369 274.932 23.6649 -17.1334 128.798 96.1386 98.6141 48.0713 PRESSAVG: 2316400 14.0019 79.2806 16.3889 79.2806 18.3991 -74.2235 16.389 -74.2235 -19.0395 GPRESSAVG: 2316400 14.3106 76.8829 18.3077 78.8174 18.728 -74.9412 16.6523 -78.1684 -19.4247 TIMING: 2316400 CPU: 7237.13, 0.0031903/step Wall: 7237.13, 0.0031903/step, 2.37819 hours remaining, 234.312500 MB of memory in use. ENERGY: 2316400 3946.2126 20688.6254 14532.5954 273.9745 -203491.7578 2690.7229 0.0000 0.0000 52325.9027 -109033.7242 300.7177 -161359.6269 -108668.6596 300.0128 -37.0197 -9.9314 761941.4248 4.4539 4.5380 PRESSURE: 2316600 -127.022 37.5463 101.784 37.5464 -90.7985 -217.658 101.783 -217.658 -243.224 GPRESSURE: 2316600 -113.006 -25.4893 40.166 185.992 -17.6365 -197.293 -2.37907 -126.417 -258.363 PRESSAVG: 2316600 -1.93101 -4.6342 20.4776 -4.63421 36.6739 -38.669 20.4776 -38.669 0.333696 GPRESSAVG: 2316600 -3.84866 -3.02235 20.9657 -5.719 38.0152 -38.5016 19.6974 -36.1957 0.661155 TIMING: 2316600 CPU: 7237.76, 0.00312376/step Wall: 7237.76, 0.00312376/step, 2.32842 hours remaining, 234.312500 MB of memory in use. ENERGY: 2316600 3951.8700 20446.3385 14446.0769 285.4297 -203050.5096 2629.7080 0.0000 0.0000 52187.5277 -109103.5587 299.9224 -161291.0864 -108727.4631 299.7598 -153.6816 -129.6686 760852.2536 11.6922 11.6092 PRESSURE: 2316800 -149.656 139.733 48.6301 139.732 151.65 10.3537 48.6301 10.3532 353.83 GPRESSURE: 2316800 -131.884 55.0159 16.9671 169.534 223.486 12.0354 100.763 -41.6884 355.194 PRESSAVG: 2316800 -52.5991 20.3483 -28.9086 20.3483 54.2745 -23.6322 -28.9086 -23.6323 16.9771 GPRESSAVG: 2316800 -50.6028 20.245 -28.533 21.2247 51.8081 -23.3918 -29.476 -21.9421 17.1722 TIMING: 2316800 CPU: 7238.38, 0.00311001/step Wall: 7238.38, 0.00311001/step, 2.31799 hours remaining, 234.312500 MB of memory in use. ENERGY: 2316800 4030.6995 20640.4740 14329.5185 255.6916 -203032.0965 2616.7376 0.0000 0.0000 52021.7296 -109137.2456 298.9696 -161158.9753 -108775.8338 299.8770 118.6083 148.9320 762304.9811 6.2175 6.1258 PRESSURE: 2317000 -103.671 -21.6149 131.049 -21.6152 109.418 6.86316 131.048 6.86248 -168.077 GPRESSURE: 2317000 -70.1004 -39.5584 124.809 -47.2901 174.093 -2.87853 133.235 -7.13032 -188.518 PRESSAVG: 2317000 -75.117 38.7495 -6.77747 38.7496 105.766 33.7815 -6.77753 33.7815 -5.18344 GPRESSAVG: 2317000 -75.0347 38.7247 -8.11101 38.8548 106.785 35.4395 -6.3739 31.7057 -5.56745 TIMING: 2317000 CPU: 7239, 0.00309627/step Wall: 7239, 0.00309627/step, 2.30758 hours remaining, 234.312500 MB of memory in use. ENERGY: 2317000 4056.6905 20511.8694 14415.8436 238.8754 -203452.1896 2843.4551 0.0000 0.0000 52294.9452 -109090.5105 300.5398 -161385.4556 -108731.9920 299.9951 -54.1101 -28.1751 761743.8641 8.4885 8.7275 PRESSURE: 2317200 -437.01 -7.12894 32.6199 -7.13011 28.7567 -146.273 32.6204 -146.273 -217.123 GPRESSURE: 2317200 -318.035 91.7433 60.9358 -96.3048 -23.6118 -168.221 -22.6532 -181.115 -193.009 PRESSAVG: 2317200 -60.2157 12.7473 9.77563 12.7473 66.9063 -46.1789 9.77561 -46.1789 0.156937 GPRESSAVG: 2317200 -61.2709 12.6121 11.5903 12.5213 67.7636 -47.8726 8.03638 -44.2992 0.0127184 TIMING: 2317200 CPU: 7239.62, 0.00310186/step Wall: 7239.62, 0.00310186/step, 2.31157 hours remaining, 234.312500 MB of memory in use. ENERGY: 2317200 4041.1711 20558.6221 14426.3958 254.0648 -203534.2080 2876.4213 0.0000 0.0000 52001.4548 -109376.0781 298.8531 -161377.5328 -109009.6615 299.6102 -208.4586 -178.2187 760494.5400 2.2825 2.1685 PRESSURE: 2317400 -161.122 -32.1702 106.022 -32.1697 32.9029 64.9047 106.022 64.9047 -129.913 GPRESSURE: 2317400 -159.075 -79.5599 149.507 -1.26935 112.23 67.3036 -32.5226 63.1705 -146.443 PRESSAVG: 2317400 -64.5234 -10.6576 -31.3455 -10.6577 18.2346 -33.0007 -31.3455 -33.0007 -12.4386 GPRESSAVG: 2317400 -64.4069 -11.1932 -32.3027 -11.2013 17.9549 -33.0319 -32.246 -34.1001 -12.6688 TIMING: 2317400 CPU: 7240.24, 0.00310525/step Wall: 7240.24, 0.00310525/step, 2.31393 hours remaining, 234.312500 MB of memory in use. ENERGY: 2317400 3961.7387 20563.2461 14470.2583 243.8596 -203525.7775 2698.2251 0.0000 0.0000 52059.7305 -109528.7193 299.1880 -161588.4498 -109166.1638 299.2111 -86.0439 -64.4290 761502.9502 -19.5758 -19.7069 PRESSURE: 2317600 31.1376 4.47903 -1.75197 4.47855 65.5062 141.696 -1.75119 141.697 -351.453 GPRESSURE: 2317600 44.6486 -102.04 -56.6658 4.7151 76.7757 148.31 10.7467 236.115 -285.521 PRESSAVG: 2317600 33.267 50.9974 -65.1396 50.9974 -25.2029 11.8701 -65.1396 11.8701 9.14819 GPRESSAVG: 2317600 34.1954 53.831 -65.3969 51.4675 -27.0259 13.6288 -61.5636 12.0395 9.97243 TIMING: 2317600 CPU: 7240.86, 0.00309946/step Wall: 7240.86, 0.00309946/step, 2.30944 hours remaining, 234.312500 MB of memory in use. ENERGY: 2317600 4088.3799 20468.9606 14421.2099 243.1726 -203598.1056 2985.5484 0.0000 0.0000 51969.5539 -109421.2803 298.6697 -161390.8342 -109077.2599 299.3927 -84.9363 -54.6991 762726.5165 5.7374 5.7140 PRESSURE: 2317800 367.592 -256.187 136.262 -256.185 -120.535 -187.587 136.263 -187.588 -66.9125 GPRESSURE: 2317800 375.93 -187.905 201.402 -265.254 -3.80494 -214.94 155.186 -263.789 -97.4238 PRESSAVG: 2317800 47.3102 4.22072 5.48939 4.22071 -32.9187 41.5688 5.48946 41.5689 1.28208 GPRESSAVG: 2317800 45.7434 1.22554 5.82643 5.59443 -32.0459 41.4967 4.57352 39.7792 1.5132 TIMING: 2317800 CPU: 7241.48, 0.00309456/step Wall: 7241.48, 0.00309456/step, 2.30562 hours remaining, 234.312500 MB of memory in use. ENERGY: 2317800 3970.6318 20433.4829 14496.0977 234.5444 -203604.1430 2774.9346 0.0000 0.0000 52233.4256 -109461.0259 300.1862 -161694.4515 -109096.3065 299.4619 60.0480 91.5670 761200.4312 5.2245 5.0702 PRESSURE: 2318000 -91.7694 -3.97932 124.424 -3.97895 177.694 122.07 124.425 122.07 120.776 GPRESSURE: 2318000 -94.1421 25.5431 150.698 -71.5342 186.65 102.728 164.78 -20.2905 196.261 PRESSAVG: 2318000 -47.1257 11.9909 -19.012 11.9908 0.308013 43.2745 -19.0121 43.2746 17.9106 GPRESSAVG: 2318000 -47.7977 12.908 -21.2407 10.4619 1.84335 40.9685 -18.4789 44.8722 17.1743 TIMING: 2318000 CPU: 7242.1, 0.003097/step Wall: 7242.1, 0.003097/step, 2.30727 hours remaining, 234.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2318000 3961.3244 20492.6956 14381.7175 235.7415 -203297.1902 2589.7998 0.0000 0.0000 52132.3583 -109503.5531 299.6054 -161635.9113 -109145.9809 298.9432 68.8999 96.2564 761943.7816 -9.6357 -9.5933 PRESSURE: 2318200 -105.184 32.4383 -223.949 32.4384 -60.3352 -120.408 -223.949 -120.41 -157.528 GPRESSURE: 2318200 27.3129 -99.9659 -262.314 79.5997 -132.761 -120.762 -153.694 -89.6956 -149.347 PRESSAVG: 2318200 -43.3723 3.47113 -17.6414 3.47111 82.3857 -25.2767 -17.6413 -25.2767 -4.40225 GPRESSAVG: 2318200 -42.7683 4.04338 -15.9979 2.77377 81.2805 -24.5443 -17.9979 -24.3065 -3.93056 TIMING: 2318200 CPU: 7242.72, 0.00312071/step Wall: 7242.72, 0.00312071/step, 2.32475 hours remaining, 234.312500 MB of memory in use. ENERGY: 2318200 3982.8602 20625.4680 14423.7029 239.6693 -203391.7038 2597.4002 0.0000 0.0000 52229.8428 -109292.7603 300.1656 -161522.6032 -108936.8376 299.2410 -107.6823 -84.9317 761340.4047 11.5370 11.5272 PRESSURE: 2318400 -176.456 -86.4914 -94.7093 -86.49 259.285 -160.633 -94.7091 -160.634 -237.603 GPRESSURE: 2318400 -127.441 -93.7168 -81.9338 -128.434 240.303 -217.487 3.74076 -66.1525 -188.585 PRESSAVG: 2318400 -57.6138 0.45999 -53.7639 0.460026 24.9494 -57.8035 -53.7639 -57.8035 -1.14264 GPRESSAVG: 2318400 -56.5015 -0.0752244 -54.0792 1.1135 25.5457 -58.795 -52.1278 -58.391 -2.15758 TIMING: 2318400 CPU: 7243.34, 0.00310314/step Wall: 7243.34, 0.00310314/step, 2.3115 hours remaining, 234.312500 MB of memory in use. ENERGY: 2318400 3971.5026 20695.3220 14414.7241 243.8287 -203388.1588 2758.3902 0.0000 0.0000 52118.5573 -109185.8339 299.5261 -161304.3912 -108823.9989 299.3709 -51.5911 -25.2412 761896.2410 -11.2690 -11.0378 PRESSURE: 2318600 -44.2524 -126.11 -191.652 -126.111 -324.774 -2.48965 -191.652 -2.48868 68.9953 GPRESSURE: 2318600 -48.1254 -123.794 -140.223 -22.8607 -148.223 -103.94 -227.322 67.8426 -18.7268 PRESSAVG: 2318600 -68.2028 68.3877 -34.2081 68.3877 6.95141 -19.945 -34.2081 -19.9451 23.3137 GPRESSAVG: 2318600 -68.2221 66.7345 -34.8085 69.2705 7.23312 -18.257 -36.4484 -18.2185 23.4261 TIMING: 2318600 CPU: 7243.96, 0.00308921/step Wall: 7243.96, 0.00308921/step, 2.30094 hours remaining, 234.312500 MB of memory in use. ENERGY: 2318600 3990.4583 20591.2932 14458.2943 254.2717 -203394.5787 2870.4662 0.0000 0.0000 51934.7751 -109295.0199 298.4699 -161229.7950 -108933.8926 299.4382 -100.0103 -71.6917 762870.0676 -12.6459 -12.5210 PRESSURE: 2318800 46.5052 -138.32 -126.097 -138.32 216.713 82.9148 -126.097 82.9149 33.4716 GPRESSURE: 2318800 58.0566 -18.5553 -84.6991 -116.242 254.05 34.3937 -24.3516 32.4226 56.2782 PRESSAVG: 2318800 -46.2423 19.4996 -28.1782 19.4995 36.7963 -22.0072 -28.1782 -22.0072 -4.43427 GPRESSAVG: 2318800 -47.623 23.5485 -27.2524 19.9939 37.494 -21.673 -28.4687 -24.012 -3.86518 TIMING: 2318800 CPU: 7244.58, 0.00308207/step Wall: 7244.58, 0.00308207/step, 2.29546 hours remaining, 234.312500 MB of memory in use. ENERGY: 2318800 4017.7741 20565.2910 14449.5917 239.1294 -203564.0991 2967.2422 0.0000 0.0000 52241.0061 -109084.0645 300.2298 -161325.0706 -108723.6129 299.2580 98.8967 122.7948 761254.8529 -4.6267 -4.6647 PRESSURE: 2319000 265.497 119.361 -25.7463 119.361 226.249 -18.6988 -25.7466 -18.6992 142.52 GPRESSURE: 2319000 308.755 98.7905 -81.196 175.224 210.9 -3.09494 73.8009 -71.7557 185.278 PRESSAVG: 2319000 11.5889 28.862 2.91254 28.862 30.1723 -14.3599 2.91248 -14.36 23.8797 GPRESSAVG: 2319000 12.8226 27.6256 2.48572 27.9605 29.8184 -16.1867 4.68007 -12.1936 22.8844 TIMING: 2319000 CPU: 7245.2, 0.00310438/step Wall: 7245.2, 0.00310438/step, 2.3119 hours remaining, 234.312500 MB of memory in use. ENERGY: 2319000 3992.4974 20594.7241 14441.4239 243.2071 -203483.9326 2737.4753 0.0000 0.0000 52132.7121 -109341.8927 299.6074 -161474.6047 -108969.7317 300.2035 211.4218 234.9777 760129.6198 21.8803 21.8418 PRESSURE: 2319200 354.926 223.727 -380.454 223.727 213.468 0.454454 -380.455 0.454327 -125.153 GPRESSURE: 2319200 410.149 159.488 -370.785 20.1511 233.897 -46.7303 -377.21 -88.9248 -125.034 PRESSAVG: 2319200 16.9836 7.04406 -57.2934 7.04401 28.674 -38.5844 -57.2934 -38.5844 18.7167 GPRESSAVG: 2319200 16.3233 6.24378 -56.3606 9.38412 29.3713 -39.4067 -59.8443 -41.1434 18.8339 TIMING: 2319200 CPU: 7245.82, 0.003095/step Wall: 7245.82, 0.003095/step, 2.30474 hours remaining, 234.312500 MB of memory in use. ENERGY: 2319200 4022.6531 20619.5127 14432.0709 245.2807 -203428.7513 2775.0813 0.0000 0.0000 51995.4700 -109338.6826 298.8187 -161334.1526 -108982.9711 299.5771 147.7472 173.0040 762067.8318 21.4581 21.5095 PRESSURE: 2319400 -47.5057 -95.9546 5.00896 -95.955 -73.2872 -188.383 5.00967 -188.384 -263.656 GPRESSURE: 2319400 22.458 -130.076 8.37837 -122.638 -96.3225 -270.35 42.408 -82.9047 -213.498 PRESSAVG: 2319400 -15.2141 48.9856 -33.433 48.9856 0.419551 -65.7963 -33.4331 -65.7963 19.3641 GPRESSAVG: 2319400 -13.6741 51.3066 -33.2464 44.5966 -1.51151 -65.3681 -31.4416 -65.0314 19.4451 TIMING: 2319400 CPU: 7246.44, 0.00309182/step Wall: 7246.44, 0.00309182/step, 2.30221 hours remaining, 234.312500 MB of memory in use. ENERGY: 2319400 3969.1909 20661.1046 14422.6225 237.2879 -203614.9290 2908.1791 0.0000 0.0000 51850.5847 -109565.9593 297.9860 -161416.5440 -109213.4004 298.7297 -128.1497 -95.7875 762121.6445 1.5232 1.4199 PRESSURE: 2319600 -380.741 -31.6489 -54.5062 -31.6493 -192.626 9.67541 -54.5058 9.67556 148.996 GPRESSURE: 2319600 -404.172 -117.408 -7.94838 153.438 -114.461 15.5793 57.5694 29.8623 176.248 PRESSAVG: 2319600 -27.6973 27.4079 18.9563 27.408 53.1988 -15.5266 18.9563 -15.5265 1.33657 GPRESSAVG: 2319600 -28.2375 24.1967 17.8979 28.5762 54.9631 -13.2857 19.4347 -15.6293 0.364161 TIMING: 2319600 CPU: 7247.06, 0.00312382/step Wall: 7247.06, 0.00312382/step, 2.32586 hours remaining, 234.312500 MB of memory in use. ENERGY: 2319600 3865.7956 20392.2873 14455.2833 238.2190 -203304.1955 2563.4807 0.0000 0.0000 52113.1627 -109675.9668 299.4951 -161789.1295 -109310.0120 298.6815 -141.4571 -114.1283 760510.5328 8.9460 9.0299 PRESSURE: 2319800 -63.773 65.435 166.254 65.4343 -152.462 -99.7993 166.254 -99.7995 330.233 GPRESSURE: 2319800 -159.452 132.155 116.406 192.997 35.2876 -36.5549 104.875 -88.4504 332.129 PRESSAVG: 2319800 -66.2976 40.5898 -4.93717 40.5898 48.2892 -3.30206 -4.93719 -3.30205 -10.688 GPRESSAVG: 2319800 -65.2944 42.1537 -5.24291 40.7375 47.1408 -3.31395 -6.17403 -3.57367 -10.663 TIMING: 2319800 CPU: 7247.68, 0.00311491/step Wall: 7247.68, 0.00311491/step, 2.31905 hours remaining, 234.312500 MB of memory in use. ENERGY: 2319800 3965.4283 20344.9985 14430.7552 255.5641 -203272.1345 2494.9193 0.0000 0.0000 52095.9158 -109684.5532 299.3959 -161780.4690 -109321.9694 298.2750 37.9994 69.3214 761254.7682 -9.5655 -9.6055 PRESSURE: 2320000 -145.402 162.449 68.6224 162.449 159.057 -119.277 68.6219 -119.276 277.834 GPRESSURE: 2320000 -123.533 155.833 141.633 112.341 281.826 -127.291 52.3371 -133.152 199.95 PRESSAVG: 2320000 -90.7082 97.3653 15.0135 97.3652 119.675 -31.8905 15.0135 -31.8906 9.99161 GPRESSAVG: 2320000 -92.5848 98.3795 15.6368 98.1431 121.451 -32.4898 14.385 -30.3046 9.94281 TIMING: 2320000 CPU: 7248.3, 0.00309394/step Wall: 7248.3, 0.00309394/step, 2.30327 hours remaining, 234.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2320000 3973.1540 20560.2167 14383.9280 242.7220 -203688.1736 2914.5825 0.0000 0.0000 51998.6806 -109614.8898 298.8371 -161613.5704 -109262.8695 298.5026 97.1628 119.4142 761228.8900 12.9861 12.9362 PRESSURE: 2320200 -115.439 189.487 -1.21978 189.487 220.026 40.8085 -1.21874 40.8077 -340.669 GPRESSURE: 2320200 -54.2988 216.112 9.46545 85.2257 223.91 118.157 68.6486 -33.7098 -309.975 PRESSAVG: 2320200 -46.168 66.4975 -3.73275 66.4975 43.1927 -28.5429 -3.73278 -28.5429 4.31249 GPRESSAVG: 2320200 -45.2463 65.7821 -3.69629 64.7435 42.2551 -26.8042 -3.87662 -31.1733 4.5453 TIMING: 2320200 CPU: 7248.93, 0.00311318/step Wall: 7248.93, 0.00311318/step, 2.31742 hours remaining, 234.312500 MB of memory in use. ENERGY: 2320200 3994.3657 20438.5773 14348.8402 251.3462 -203466.7207 2889.0501 0.0000 0.0000 51933.0535 -109611.4877 298.4600 -161544.5412 -109241.7978 298.2977 -78.6939 -46.7877 763319.2224 0.4457 0.5180 LDB: ============= START OF LOAD BALANCING ============== 7261.4 LDB: ============== END OF LOAD BALANCING =============== 7261.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7261.4 LDB: ============= START OF LOAD BALANCING ============== 7261.71 LDB: Largest compute 7078 load 0.030038 is 15.4% of average load 0.195043 LDB: Average compute 0.004395 is 2.3% of average load 0.195043 LDB: TIME 7261.72 LOAD: AVG 0.195043 MAX 0.214733 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.023 MB LDB: TIME 7261.72 LOAD: AVG 0.195043 MAX 0.214733 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.023 MB LDB: TIME 7261.72 LOAD: AVG 0.195043 MAX 0.214733 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.023 MB LDB: ============== END OF LOAD BALANCING =============== 7261.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7261.72 PRESSURE: 2320400 42.8608 38.8225 95.0905 38.8224 50.7252 4.38688 95.0902 4.38569 -27.4424 GPRESSURE: 2320400 62.8319 30.6777 106.701 5.23977 110.199 -14.3862 105.451 -64.8493 -11.9025 PRESSAVG: 2320400 -68.5604 57.9076 -6.65677 57.9076 -2.56532 2.44613 -6.65678 2.4461 14.0558 GPRESSAVG: 2320400 -67.282 55.4493 -7.11531 60.8477 -3.67983 1.57725 -3.74647 5.64879 14.3544 TIMING: 2320400 CPU: 7249.56, 0.00316451/step Wall: 7249.56, 0.00316451/step, 2.35545 hours remaining, 234.562500 MB of memory in use. ENERGY: 2320400 4028.2936 20352.8495 14372.1770 271.6125 -203513.7609 2997.8616 0.0000 0.0000 52168.9508 -109322.0157 299.8157 -161490.9665 -108962.1580 298.6663 22.0478 53.7096 763240.1337 -19.0233 -18.8691 PRESSURE: 2320600 51.083 375.192 88.5806 375.192 -233.641 4.24995 88.5802 4.24844 152.068 GPRESSURE: 2320600 26.2152 428.372 41.2723 246.895 -102.522 -22.8235 142.746 34.8186 124.875 PRESSAVG: 2320600 -45.3837 53.6968 -32.4621 53.6968 -17.0963 -95.3687 -32.4622 -95.3687 -16.7718 GPRESSAVG: 2320600 -45.7821 55.7292 -32.0791 52.7629 -16.1805 -93.8211 -32.4904 -98.1129 -17.134 TIMING: 2320600 CPU: 7250.18, 0.00311044/step Wall: 7250.18, 0.00311044/step, 2.31503 hours remaining, 234.761719 MB of memory in use. ENERGY: 2320600 3961.6035 20543.5056 14480.2857 276.3693 -203111.8350 2526.0398 0.0000 0.0000 51834.8410 -109489.1901 297.8955 -161324.0311 -109135.4165 298.6617 -10.1632 16.1892 763738.0299 -26.4173 -26.3655 PRESSURE: 2320800 -482.451 48.3341 34.0249 48.3343 -249.322 -78.5026 34.0255 -78.5024 -212.035 GPRESSURE: 2320800 -398.045 -11.8507 26.3041 218.515 -181.608 -128.281 -110.916 -4.05686 -268.919 PRESSAVG: 2320800 -23.3667 29.83 8.70355 29.83 34.9903 -22.4283 8.70351 -22.4283 -13.8521 GPRESSAVG: 2320800 -25.0164 26.8232 8.58412 31.361 35.8366 -23.3701 7.77776 -22.2151 -12.8154 TIMING: 2320800 CPU: 7250.8, 0.00310027/step Wall: 7250.8, 0.00310027/step, 2.30729 hours remaining, 234.761719 MB of memory in use. ENERGY: 2320800 4009.2250 20509.9883 14352.8855 259.7032 -202663.9042 2165.6516 0.0000 0.0000 51846.5848 -109519.8660 297.9630 -161366.4507 -109154.2657 298.2877 -314.6023 -282.8572 764469.3569 -0.7428 -0.6651 PRESSURE: 2321000 -20.2229 -161.719 45.2393 -161.72 -193.004 -153.317 45.2399 -153.316 -578.547 GPRESSURE: 2321000 -36.6632 -44.8743 65.1146 -220.427 -132.163 -159.682 106.408 -48.6812 -538.941 PRESSAVG: 2321000 15.9803 -13.6883 29.9474 -13.6883 -39.0928 27.5913 29.9474 27.5912 4.04361 GPRESSAVG: 2321000 17.4679 -9.31197 29.652 -17.3363 -39.0769 25.8478 28.4841 29.7669 3.01165 TIMING: 2321000 CPU: 7251.42, 0.00309425/step Wall: 7251.42, 0.00309425/step, 2.30264 hours remaining, 234.761719 MB of memory in use. ENERGY: 2321000 3971.7100 20606.3887 14403.0002 266.6733 -203256.8741 2690.0454 0.0000 0.0000 51855.1326 -109463.9240 298.0122 -161319.0566 -109108.1939 298.6116 -263.9244 -235.9222 763595.4816 -6.3563 -6.1991 PRESSURE: 2321200 -74.0435 55.9396 64.765 55.94 -22.0633 132.845 64.7645 132.845 78.9309 GPRESSURE: 2321200 15.4583 -29.769 109.266 38.0212 -71.734 103.917 144.522 157.722 109.401 PRESSAVG: 2321200 31.2475 14.7048 19.4433 14.7048 -18.8511 28.7676 19.4433 28.7676 -17.9228 GPRESSAVG: 2321200 30.6727 15.1801 20.3037 16.6301 -18.0106 29.9372 21.3703 25.2652 -17.8398 TIMING: 2321200 CPU: 7252.04, 0.00309139/step Wall: 7252.04, 0.00309139/step, 2.30034 hours remaining, 234.761719 MB of memory in use. ENERGY: 2321200 3935.4983 20474.0314 14455.8852 246.1883 -202917.2427 2447.8171 0.0000 0.0000 51884.6660 -109473.1563 298.1819 -161357.8223 -109111.1836 298.3522 -5.7253 17.7086 762898.3549 -1.8421 -1.7259 PRESSURE: 2321400 -118.634 -32.741 108.684 -32.7415 -293.028 -87.4873 108.684 -87.4881 -383.978 GPRESSURE: 2321400 -94.6575 55.0289 179.211 38.2778 -357.854 -41.2425 62.3504 51.2815 -287.427 PRESSAVG: 2321400 -14.7705 39.4255 26.8533 39.4255 27.422 63.4922 26.8533 63.4923 -2.36803 GPRESSAVG: 2321400 -14.3012 38.5239 27.014 39.394 25.629 64.108 25.7193 66.4193 -1.26155 TIMING: 2321400 CPU: 7252.66, 0.00309244/step Wall: 7252.66, 0.00309244/step, 2.30095 hours remaining, 234.761719 MB of memory in use. ENERGY: 2321400 3996.8214 20489.1088 14416.1472 256.9864 -203480.7213 2737.0038 0.0000 0.0000 51986.2454 -109598.4084 298.7657 -161584.6538 -109238.9569 298.4433 -265.2134 -246.6463 763035.7660 3.4278 3.3554 PRESSURE: 2321600 -188.403 -63.6399 -17.5854 -63.6389 -190.52 200.434 -17.5852 200.435 178.855 GPRESSURE: 2321600 -155.883 -83.0434 100.755 100.309 -174.141 228.579 -48.048 99.8626 207.787 PRESSAVG: 2321600 -33.3856 50.5542 0.800925 50.5541 13.3651 -1.1531 0.800855 -1.15315 13.3169 GPRESSAVG: 2321600 -33.0004 50.9828 -0.58915 49.9227 12.4379 -2.8162 0.642006 -3.24808 13.7072 TIMING: 2321600 CPU: 7253.28, 0.0031052/step Wall: 7253.28, 0.0031052/step, 2.31027 hours remaining, 234.761719 MB of memory in use. ENERGY: 2321600 3916.7213 20520.9436 14351.8771 263.3348 -203113.7107 2674.0930 0.0000 0.0000 51951.2796 -109435.4614 298.5647 -161386.7409 -109074.9169 298.8597 -66.6895 -40.7454 764951.5671 -2.2345 -2.2851 PRESSURE: 2321800 -94.409 96.0544 -23.8848 96.0546 -176.815 7.24362 -23.8848 7.24351 373.348 GPRESSURE: 2321800 -97.2082 105.123 -91.1058 121.221 -180.042 -22.8568 -18.7833 28.7291 448.151 PRESSAVG: 2321800 -53.2933 31.7734 -10.8039 31.7734 29.3897 -39.768 -10.804 -39.768 -5.83554 GPRESSAVG: 2321800 -53.5213 30.2181 -11.4444 32.5707 30.5777 -39.4539 -9.96891 -37.2316 -6.89095 TIMING: 2321800 CPU: 7253.9, 0.00310839/step Wall: 7253.9, 0.00310839/step, 2.31247 hours remaining, 234.761719 MB of memory in use. ENERGY: 2321800 3982.2814 20479.5934 14386.7640 246.7780 -202988.2211 2606.8535 0.0000 0.0000 51919.7784 -109366.1725 298.3837 -161285.9509 -108998.6052 298.4336 34.0413 56.9670 763936.6064 -9.9131 -9.9448 PRESSURE: 2322000 177.12 32.9461 97.9475 32.9466 421.65 -45.4559 97.9471 -45.456 266.277 GPRESSURE: 2322000 239.254 105.49 113.844 -25.4715 373.123 -41.511 65.1302 13.2512 350.911 PRESSAVG: 2322000 -16.1717 1.8703 -14.6504 1.8702 -1.71513 -14.5897 -14.6505 -14.5898 -22.007 GPRESSAVG: 2322000 -16.3823 2.52247 -12.6195 3.81007 -1.5637 -16.4247 -16.3556 -16.9514 -22.0303 TIMING: 2322000 CPU: 7254.52, 0.00311464/step Wall: 7254.52, 0.00311464/step, 2.31694 hours remaining, 234.761719 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: 2322000 3908.4728 20507.2363 14339.0743 255.3221 -203457.1356 3107.7933 0.0000 0.0000 51925.5931 -109413.6437 298.4171 -161339.2368 -109060.1365 298.7125 288.3490 321.0957 762895.8185 -13.2979 -13.3254 PRESSURE: 2322200 -163.208 -156.733 -172.432 -156.733 126.724 -187.675 -172.431 -187.676 -30.4121 GPRESSURE: 2322200 -129.61 -219.761 -118.476 -105.004 223.167 -108.71 -166.334 -160.166 -64.1944 PRESSAVG: 2322200 41.5939 24.1027 -43.5754 24.1027 11.9453 -42.2312 -43.5755 -42.2312 6.90729 GPRESSAVG: 2322200 42.5369 23.8452 -45.0403 21.8855 12.0218 -40.4405 -44.6991 -41.1138 5.85209 TIMING: 2322200 CPU: 7255.14, 0.00310754/step Wall: 7255.14, 0.00310754/step, 2.31149 hours remaining, 234.761719 MB of memory in use. ENERGY: 2322200 4020.4661 20490.9381 14430.9783 253.1902 -203475.9733 3012.7926 0.0000 0.0000 52019.2466 -109248.3614 298.9553 -161267.6080 -108892.7284 299.4537 -22.2990 9.7874 762209.8546 20.1488 20.1370 PRESSURE: 2322400 -27.7989 -163.295 -170.282 -163.295 118.901 105.147 -170.283 105.146 -254.768 GPRESSURE: 2322400 -45.9177 -165.387 -262.879 -115.315 81.4537 28.4688 -104.831 121.156 -132.833 PRESSAVG: 2322400 -13.4209 20.6107 9.67489 20.6107 47.7585 -49.8843 9.67484 -49.8843 3.19514 GPRESSAVG: 2322400 -13.4897 20.4705 8.6111 21.1645 46.2484 -50.6016 11.341 -49.4493 4.24221 TIMING: 2322400 CPU: 7255.77, 0.00312017/step Wall: 7255.77, 0.00312017/step, 2.32071 hours remaining, 234.761719 MB of memory in use. ENERGY: 2322400 4007.3145 20676.1636 14468.8772 249.3082 -203206.5240 2670.6693 0.0000 0.0000 51990.7860 -109143.4052 298.7918 -161134.1912 -108784.7996 300.0343 -54.5552 -32.4323 761768.0906 12.5109 12.3336 PRESSURE: 2322600 93.0598 43.5415 -40.1084 43.5425 20.5946 50.4622 -40.1084 50.4627 256.806 GPRESSURE: 2322600 78.5293 84.0177 -32.8292 11.1213 141.904 57.4564 -12.2891 -95.8965 213.995 PRESSAVG: 2322600 -104.869 6.19536 35.2826 6.19538 81.4944 -17.5538 35.2826 -17.5538 8.15193 GPRESSAVG: 2322600 -106.929 7.64407 37.2184 6.34634 83.0415 -17.1156 36.2547 -19.9729 8.31952 TIMING: 2322600 CPU: 7256.39, 0.0031203/step Wall: 7256.39, 0.0031203/step, 2.32063 hours remaining, 234.761719 MB of memory in use. ENERGY: 2322600 4030.5217 20392.6262 14520.3080 252.0783 -203631.6242 2990.9360 0.0000 0.0000 52033.9485 -109411.2054 299.0398 -161445.1539 -109052.2263 299.4020 123.4868 144.8095 761440.0813 -5.0741 -5.1894 PRESSURE: 2322800 -248.973 28.0141 178.198 28.0139 -89.0199 -2.81544 178.198 -2.815 29.6045 GPRESSURE: 2322800 -152.36 60.2911 141.275 57.5344 -80.4476 16.555 18.4836 11.528 41.8177 PRESSAVG: 2322800 -49.9931 -22.2968 -10.7997 -22.2968 34.7561 -23.2319 -10.7997 -23.2319 -26.5321 GPRESSAVG: 2322800 -48.6536 -23.1313 -11.4442 -23.636 34.5329 -24.2267 -11.6163 -21.7014 -26.6543 TIMING: 2322800 CPU: 7257.01, 0.00309446/step Wall: 7257.01, 0.00309446/step, 2.30125 hours remaining, 234.761719 MB of memory in use. ENERGY: 2322800 3986.8334 20560.0812 14467.2893 272.8357 -203272.0814 2587.8931 0.0000 0.0000 52147.9392 -109249.2095 299.6949 -161397.1487 -108893.2214 299.3167 -102.7960 -63.6635 762026.2112 -13.9231 -13.5917 PRESSURE: 2323000 118.521 50.6464 133.906 50.646 106.567 -99.2812 133.907 -99.2818 -19.4985 GPRESSURE: 2323000 43.2044 -6.81157 -3.45299 70.5654 286.028 -205.167 34.0577 41.3771 -44.9342 PRESSAVG: 2323000 -48.9864 6.64 31.8118 6.63997 37.0853 -46.3542 31.8118 -46.3543 7.57339 GPRESSAVG: 2323000 -51.064 4.70475 31.6714 10.1127 38.5389 -46.2478 31.7778 -46.5863 7.42316 TIMING: 2323000 CPU: 7257.63, 0.00308934/step Wall: 7257.63, 0.00308934/step, 2.29727 hours remaining, 234.761719 MB of memory in use. ENERGY: 2323000 4013.7311 20617.7612 14322.5112 253.7009 -203189.8247 2653.6395 0.0000 0.0000 52118.2567 -109210.2240 299.5243 -161328.4807 -108854.4321 299.9107 68.5300 94.7660 762626.1616 -1.4426 -1.7007 PRESSURE: 2323200 -657.321 50.3413 159.999 50.3408 16.5214 -19.7658 159.998 -19.7661 -150.673 GPRESSURE: 2323200 -499.669 -22.0852 206.337 18.1314 -83.7262 -36.1546 207.471 -178.779 -142.07 PRESSAVG: 2323200 -8.26342 56.9382 35.9351 56.9382 -18.0526 -29.672 35.9351 -29.672 -14.4002 GPRESSAVG: 2323200 -5.9992 60.7964 36.9984 53.6079 -19.865 -28.6287 35.0614 -29.2546 -14.2001 TIMING: 2323200 CPU: 7258.25, 0.00309263/step Wall: 7258.25, 0.00309263/step, 2.29954 hours remaining, 234.761719 MB of memory in use. ENERGY: 2323200 3918.3806 20444.4108 14356.1519 232.7047 -203140.6040 2734.3061 0.0000 0.0000 51977.1769 -109477.4730 298.7135 -161454.6499 -109115.4534 299.0805 -263.8244 -241.8218 764072.5502 -13.5721 -13.3548 PRESSURE: 2323400 -155.987 209.771 39.0434 209.772 -27.1044 -138.125 39.0428 -138.125 -398.668 GPRESSURE: 2323400 -129.341 142.199 114.899 98.0946 22.7689 -137.266 -32.4629 -83.8837 -384.183 PRESSAVG: 2323400 -66.8673 50.1601 43.4095 50.1601 17.5199 7.02275 43.4095 7.02269 -1.18944 GPRESSAVG: 2323400 -66.8013 48.3677 43.1768 49.104 17.7391 7.94594 44.6106 6.47383 -1.45609 TIMING: 2323400 CPU: 7258.87, 0.00310742/step Wall: 7258.87, 0.00310742/step, 2.31036 hours remaining, 234.761719 MB of memory in use. ENERGY: 2323400 4031.0748 20470.8340 14426.7820 244.7023 -203290.8500 2692.3966 0.0000 0.0000 51945.0430 -109480.0173 298.5289 -161425.0604 -109120.1060 298.7067 -193.9197 -163.5849 760612.8641 -16.8456 -16.8394 PRESSURE: 2323600 -35.7496 -135.988 -151.643 -135.989 -181.617 -24.0149 -151.644 -24.0157 -163.147 GPRESSURE: 2323600 2.26967 -80.4896 -86.098 -185.22 -181.888 -87.1253 -85.3017 97.4472 -97.6469 PRESSAVG: 2323600 -22.2248 28.581 4.72703 28.5811 47.2694 -10.281 4.727 -10.281 -2.2099 GPRESSAVG: 2323600 -22.2951 27.9771 5.97854 31.027 46.4821 -9.96876 4.45805 -10.486 -1.46311 TIMING: 2323600 CPU: 7259.49, 0.003096/step Wall: 7259.49, 0.003096/step, 2.3017 hours remaining, 234.761719 MB of memory in use. ENERGY: 2323600 3979.6803 20482.4647 14430.0131 255.4908 -203134.0271 2709.5022 0.0000 0.0000 51968.3879 -109308.4881 298.6630 -161276.8760 -108940.0449 298.9301 -126.8379 -92.4218 761057.9138 7.6116 7.5746 PRESSURE: 2323800 -125.857 28.7865 20.9997 28.7862 -106.319 115.424 20.9987 115.425 -22.03 GPRESSURE: 2323800 -112.589 156.146 48.2975 53.0696 -25.9861 113.363 11.9309 141.581 -30.2352 PRESSAVG: 2323800 -9.16077 32.1077 -33.9809 32.1076 -3.44539 -50.8513 -33.9809 -50.8513 -3.53106 GPRESSAVG: 2323800 -9.13614 32.6343 -35.3495 31.5918 -3.02724 -52.3336 -33.2409 -49.5886 -3.46686 TIMING: 2323800 CPU: 7260.11, 0.00309362/step Wall: 7260.11, 0.00309362/step, 2.29976 hours remaining, 234.761719 MB of memory in use. ENERGY: 2323800 3945.4076 20520.4171 14413.3534 243.5896 -202923.1910 2441.3057 0.0000 0.0000 52074.2402 -109284.8774 299.2714 -161359.1176 -108924.0181 299.1135 -84.7356 -56.2699 762257.0481 -5.3791 -5.2101 PRESSURE: 2324000 108.374 24.8279 179.815 24.8284 -208.65 268.083 179.815 268.083 24.1073 GPRESSURE: 2324000 201.747 -99.9497 96.8907 42.6324 -139.644 184.122 46.9512 239.247 -57.3611 PRESSAVG: 2324000 -26.6923 22.1828 11.3911 22.1828 22.678 -23.9478 11.391 -23.9479 -6.56678 GPRESSAVG: 2324000 -27.2814 23.0826 11.0802 23.4066 23.2406 -23.5577 10.0799 -22.2732 -6.88678 TIMING: 2324000 CPU: 7260.73, 0.00311531/step Wall: 7260.73, 0.00311531/step, 2.31572 hours remaining, 234.761719 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: 2324000 4009.6026 20349.5646 14385.2369 281.7498 -203184.1081 2609.3506 0.0000 0.0000 52284.7572 -109263.8464 300.4812 -161548.6036 -108902.3835 299.4822 -25.3896 1.5806 762939.8449 -3.5270 -3.6425 PRESSURE: 2324200 -142.297 -133.322 -101.65 -133.323 -112.216 -139.755 -101.65 -139.755 52.535 GPRESSURE: 2324200 -83.7422 -140.749 -64.9031 -196.815 -73.7298 -84.7024 -32.1963 -128.214 58.8875 PRESSAVG: 2324200 -19.7891 -44.7167 -9.65955 -44.7166 -37.2706 -3.49802 -9.65948 -3.49803 12.5944 GPRESSAVG: 2324200 -18.3525 -46.3056 -8.15094 -44.0307 -36.7535 -2.57876 -7.86439 -4.45852 10.6045 TIMING: 2324200 CPU: 7261.35, 0.00309556/step Wall: 7261.35, 0.00309556/step, 2.30086 hours remaining, 234.761719 MB of memory in use. ENERGY: 2324200 4023.4422 20451.0759 14430.9271 255.2131 -203250.3492 2823.0209 0.0000 0.0000 52058.1920 -109208.4780 299.1791 -161266.6699 -108842.2276 299.1699 -67.3257 -32.8615 763620.4898 -14.8218 -14.8339 LDB: ============= START OF LOAD BALANCING ============== 7273.82 LDB: ============== END OF LOAD BALANCING =============== 7273.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7273.83 LDB: ============= START OF LOAD BALANCING ============== 7274.14 LDB: Largest compute 7078 load 0.031447 is 16.1% of average load 0.195047 LDB: Average compute 0.004381 is 2.2% of average load 0.195047 LDB: TIME 7274.14 LOAD: AVG 0.195047 MAX 0.214016 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.109 MB LDB: TIME 7274.14 LOAD: AVG 0.195047 MAX 0.214016 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.152 MB LDB: TIME 7274.14 LOAD: AVG 0.195047 MAX 0.214016 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.152 MB LDB: ============== END OF LOAD BALANCING =============== 7274.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7274.15 PRESSURE: 2324400 73.3875 179.238 -205.495 179.237 -12.3096 -145.448 -205.495 -145.45 -113.902 GPRESSURE: 2324400 47.6113 106.632 -131.986 141.509 66.0848 -166.819 -71.5463 -22.1071 -88.8426 PRESSAVG: 2324400 -40.6553 -34.7713 -23.8945 -34.7713 49.9486 -8.4649 -23.8945 -8.46488 32.6751 GPRESSAVG: 2324400 -42.3682 -34.2742 -26.1436 -37.0987 49.6527 -10.2097 -24.5579 -8.852 34.5249 TIMING: 2324400 CPU: 7261.98, 0.00316956/step Wall: 7261.98, 0.00316956/step, 2.35569 hours remaining, 234.058594 MB of memory in use. ENERGY: 2324400 3926.2482 20569.6590 14375.4372 251.2450 -203412.0564 2962.3638 0.0000 0.0000 52131.0101 -109196.0931 299.5976 -161327.1033 -108817.7547 299.3999 -17.6079 8.2845 762714.4283 13.9895 13.9364 PRESSURE: 2324600 -313.335 -233.831 37.1548 -233.831 242.676 41.0111 37.1556 41.0102 76.4705 GPRESSURE: 2324600 -218.633 -169.852 2.09786 -217.37 230.287 66.7573 -11.5744 73.8215 61.2883 PRESSAVG: 2324600 -32.0969 -93.6171 -56.2295 -93.6171 6.2008 -35.6195 -56.2295 -35.6195 -5.21961 GPRESSAVG: 2324600 -31.6102 -93.2751 -55.7046 -93.2298 5.7194 -35.296 -55.7773 -33.5229 -5.30631 TIMING: 2324600 CPU: 7262.6, 0.00311389/step Wall: 7262.6, 0.00311389/step, 2.31414 hours remaining, 234.058594 MB of memory in use. ENERGY: 2324600 3956.6401 20454.5324 14537.9935 251.0486 -203288.3310 2791.2378 0.0000 0.0000 52130.1137 -109166.7649 299.5925 -161296.8786 -108804.7586 299.0865 1.9370 24.3140 762657.3479 -10.3719 -10.3990 PRESSURE: 2324800 167.705 31.8249 -16.4411 31.8246 144.514 -128.239 -16.4415 -128.238 445.633 GPRESSURE: 2324800 221.749 1.02875 40.735 -32.7829 172.472 -98.6331 -156.324 -78.3538 454.265 PRESSAVG: 2324800 1.58742 -12.0837 -5.14726 -12.0837 39.8658 -19.9737 -5.14726 -19.9738 19.4113 GPRESSAVG: 2324800 0.702432 -13.7195 -5.88262 -12.6911 39.9249 -19.2934 -5.95052 -22.888 20.6641 TIMING: 2324800 CPU: 7263.22, 0.0030937/step Wall: 7263.22, 0.0030937/step, 2.29896 hours remaining, 234.058594 MB of memory in use. ENERGY: 2324800 4014.4541 20421.3952 14448.5098 251.3532 -203142.4516 2861.6911 0.0000 0.0000 52054.2768 -109090.7716 299.1566 -161145.0483 -108731.1573 299.6819 252.6173 282.8289 763563.9581 20.2882 20.4305 PRESSURE: 2325000 146.708 109.565 -18.5627 109.566 -337.627 159.384 -18.5625 159.384 -7.71863 GPRESSURE: 2325000 100.395 117.233 71.8976 107.423 -191.766 135.432 3.34602 167.216 -13.6585 PRESSAVG: 2325000 -2.55506 -2.6149 -44.6135 -2.61492 -21.3592 -50.4091 -44.6136 -50.4091 -10.115 GPRESSAVG: 2325000 -1.91329 0.0328716 -43.5786 -1.42021 -20.8993 -50.8253 -42.9443 -48.9431 -11.2214 TIMING: 2325000 CPU: 7263.84, 0.00309932/step Wall: 7263.84, 0.00309932/step, 2.30297 hours remaining, 234.058594 MB of memory in use. ENERGY: 2325000 3953.6711 20378.8532 14497.7977 252.3826 -202958.8662 2635.6524 0.0000 0.0000 51962.7855 -109277.7238 298.6308 -161240.5093 -108913.4877 299.2372 -66.2123 -35.0099 763857.0908 -11.3431 -11.3447 PRESSURE: 2325200 -191.954 -220.172 -42.5025 -220.172 -212.933 143.762 -42.5025 143.762 -39.5189 GPRESSURE: 2325200 -214.388 -175.465 -20.4073 -147.988 -93.1537 198.387 -7.19087 118.859 -33.7721 PRESSAVG: 2325200 -11.6626 5.76521 17.9596 5.76514 -24.759 -7.26776 17.9595 -7.26779 -6.34705 GPRESSAVG: 2325200 -12.8689 5.64236 17.6645 6.6489 -24.3397 -6.77639 17.7092 -7.32815 -5.06435 TIMING: 2325200 CPU: 7264.46, 0.0031091/step Wall: 7264.46, 0.0031091/step, 2.31006 hours remaining, 234.058594 MB of memory in use. ENERGY: 2325200 3964.6809 20646.7309 14453.5787 257.8985 -202935.1163 2499.8576 0.0000 0.0000 51684.7056 -109427.6640 297.0327 -161112.3696 -109082.6989 298.6394 -148.1351 -113.7713 764115.2995 -14.2562 -14.0910 PRESSURE: 2325400 -315.264 224.812 170.567 224.812 -34.352 -123.398 170.567 -123.396 -289.354 GPRESSURE: 2325400 -193.515 82.1404 156.417 158.503 -72.7802 34.6713 162.474 -179.007 -291.44 PRESSAVG: 2325400 23.8106 18.0552 -22.0582 18.0553 -3.68002 1.17051 -22.0582 1.1705 -0.934075 GPRESSAVG: 2325400 24.6373 16.7964 -21.4527 16.5563 -3.66776 1.90271 -21.7898 0.999726 -1.82203 TIMING: 2325400 CPU: 7265.08, 0.00309557/step Wall: 7265.08, 0.00309557/step, 2.29984 hours remaining, 234.058594 MB of memory in use. ENERGY: 2325400 4003.5760 20331.0460 14512.9372 228.9537 -203038.2022 2733.1986 0.0000 0.0000 52092.4783 -109136.0123 299.3762 -161228.4907 -108760.4079 298.9925 -212.9900 -185.9116 764040.7090 6.3988 6.3825 PRESSURE: 2325600 -37.4812 -136.74 131.164 -136.74 66.915 -212.98 131.164 -212.977 110.399 GPRESSURE: 2325600 49.6587 -16.6008 97.1021 -167.353 16.9138 -179.32 41.5718 -116.073 147.25 PRESSAVG: 2325600 -9.90949 -7.97669 -21.9435 -7.97669 -16.419 -39.5033 -21.9435 -39.5032 -18.5052 GPRESSAVG: 2325600 -10.3501 -7.04731 -21.9502 -8.7044 -17.3763 -41.1131 -24.6179 -37.1388 -17.1485 TIMING: 2325600 CPU: 7265.71, 0.003113/step Wall: 7265.71, 0.003113/step, 2.31261 hours remaining, 234.058594 MB of memory in use. ENERGY: 2325600 3903.1862 20456.0592 14485.6775 253.1614 -202764.0743 2610.8551 0.0000 0.0000 51920.9032 -109134.2317 298.3901 -161055.1349 -108770.8048 299.2111 46.6108 71.2742 763792.5975 -14.9445 -14.9583 PRESSURE: 2325800 223.801 -93.9177 -59.064 -93.9175 85.4888 -66.7211 -59.0643 -66.7214 -238.248 GPRESSURE: 2325800 210.861 -55.9966 -76.9784 -154.445 67.8295 -102.936 -50.2678 -151.572 -122.471 PRESSAVG: 2325800 -11.5677 11.0244 -29.61 11.0244 39.8539 -21.0592 -29.61 -21.0593 14.2195 GPRESSAVG: 2325800 -10.6803 10.4507 -31.7675 10.9831 39.6469 -20.8028 -29.5839 -21.4168 13.662 TIMING: 2325800 CPU: 7266.33, 0.00311619/step Wall: 7266.33, 0.00311619/step, 2.31481 hours remaining, 234.058594 MB of memory in use. ENERGY: 2325800 4052.6164 20547.3635 14552.0412 241.1372 -203434.0711 2944.4509 0.0000 0.0000 51983.8560 -109112.6059 298.7519 -161096.4619 -108751.7604 299.4699 23.6804 52.0733 762613.5260 14.1686 14.2095 PRESSURE: 2326000 -189.881 70.4972 -34.943 70.4968 -332.263 -95.1474 -34.9429 -95.1472 -95.9219 GPRESSURE: 2326000 -179.767 -11.6572 -14.637 105.008 -275.824 -68.8572 -11.1144 -149.677 -89.826 PRESSAVG: 2326000 27.8424 20.3332 -28.9319 20.3332 -20.7097 -25.6072 -28.9319 -25.6072 0.483719 GPRESSAVG: 2326000 27.5706 21.909 -26.9467 20.3519 -19.9448 -25.5761 -28.2004 -26.0188 -0.299136 TIMING: 2326000 CPU: 7266.96, 0.00312876/step Wall: 7266.96, 0.00312876/step, 2.32397 hours remaining, 234.058594 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: 2326000 4004.3896 20240.7158 14468.0688 261.1390 -202917.4665 2618.3885 0.0000 0.0000 51944.0472 -109380.7177 298.5232 -161324.7649 -109015.6253 298.9759 -206.0220 -181.8057 764153.2011 2.5388 2.4422 PRESSURE: 2326200 58.4864 167.835 -150.414 167.835 260.127 54.2773 -150.414 54.277 -77.5875 GPRESSURE: 2326200 102.97 65.8864 -88.2374 192.806 225.518 -4.92457 -181.339 217.391 -18.1704 PRESSAVG: 2326200 15.0262 -21.0971 15.736 -21.0971 -18.255 -44.5464 15.736 -44.5464 1.46552 GPRESSAVG: 2326200 15.8686 -22.8105 15.5846 -22.6073 -17.973 -44.2789 14.6613 -45.0988 0.927646 TIMING: 2326200 CPU: 7267.58, 0.00312286/step Wall: 7267.58, 0.00312286/step, 2.31942 hours remaining, 234.058594 MB of memory in use. ENERGY: 2326200 3940.2657 20418.8642 14429.5856 258.1648 -203451.1027 2998.1676 0.0000 0.0000 52079.9586 -109326.0962 299.3042 -161406.0548 -108961.4125 298.4125 80.3420 103.4392 763932.2050 -0.5878 -0.3923 PRESSURE: 2326400 -253.828 28.7816 -17.3991 28.7807 344.401 -6.89782 -17.399 -6.89721 -85.0751 GPRESSURE: 2326400 -216.859 -81.8799 11.1832 47.68 311.258 -23.7093 -84.8497 90.2487 -9.0779 PRESSAVG: 2326400 -48.5158 56.0638 5.03724 56.0637 51.3235 -7.48649 5.03727 -7.48656 -5.2709 GPRESSAVG: 2326400 -48.3376 58.5216 5.81118 56.7472 50.5123 -8.57202 4.87845 -7.06566 -4.27088 TIMING: 2326400 CPU: 7268.2, 0.00310712/step Wall: 7268.2, 0.00310712/step, 2.30756 hours remaining, 234.058594 MB of memory in use. ENERGY: 2326400 3919.2037 20367.3092 14444.9562 229.7469 -203036.3432 2830.4908 0.0000 0.0000 51848.2441 -109396.3922 297.9726 -161244.6363 -109035.6462 298.4103 1.8323 28.4403 765582.4694 -0.8211 -0.6987 PRESSURE: 2326600 -160.881 -69.0723 -218.291 -69.0724 -335.816 -111.319 -218.29 -111.319 77.3892 GPRESSURE: 2326600 -139.763 -49.9765 -264.573 -170.017 -227.052 -139.698 -171.798 62.6047 19.6363 PRESSAVG: 2326600 -24.3873 -18.3109 44.4137 -18.3108 -11.4258 -38.6632 44.4137 -38.6633 -8.90607 GPRESSAVG: 2326600 -25.9082 -19.5849 45.4306 -15.9079 -9.80631 -38.5983 44.0531 -38.2631 -9.17601 TIMING: 2326600 CPU: 7268.82, 0.00311364/step Wall: 7268.82, 0.00311364/step, 2.31223 hours remaining, 234.058594 MB of memory in use. ENERGY: 2326600 3968.8369 20483.0671 14410.3746 247.9590 -202983.5416 2592.5964 0.0000 0.0000 51899.2080 -109381.4996 298.2655 -161280.7076 -109028.3278 298.4881 -139.7692 -115.7262 764988.0150 -14.9064 -14.9635 PRESSURE: 2326800 -33.1942 -50.0183 181.894 -50.0182 -269.285 -129.985 181.893 -129.985 336.076 GPRESSURE: 2326800 35.679 -67.2738 168.423 -4.54445 -184.578 -144.958 192.076 -104.049 267.695 PRESSAVG: 2326800 -18.4735 -41.594 15.2714 -41.5941 -41.5115 1.77709 15.2713 1.77702 7.20535 GPRESSAVG: 2326800 -18.7896 -42.4653 14.3033 -41.8147 -42.2939 2.62224 15.1021 -0.0690923 7.3514 TIMING: 2326800 CPU: 7269.45, 0.0031382/step Wall: 7269.45, 0.0031382/step, 2.33028 hours remaining, 234.058594 MB of memory in use. ENERGY: 2326800 4002.4597 20527.8722 14437.5988 254.3502 -203337.9805 2844.6942 0.0000 0.0000 51874.9622 -109396.0433 298.1261 -161271.0055 -109047.2577 298.5658 11.1989 39.5985 766069.7246 -17.5932 -17.9107 PRESSURE: 2327000 -418.215 31.1962 7.02577 31.1977 -380.003 11.189 7.02579 11.1907 -32.1935 GPRESSURE: 2327000 -363.19 -145.689 -34.6083 -80.273 -354.558 56.2214 1.60271 53.1555 -48.0558 PRESSAVG: 2327000 1.77428 -6.87265 11.5248 -6.8727 -48.1311 -10.0681 11.5249 -10.0681 13.5234 GPRESSAVG: 2327000 3.34762 -6.30211 10.621 -9.33938 -48.766 -9.86571 9.7955 -8.66041 13.011 TIMING: 2327000 CPU: 7270.08, 0.00312504/step Wall: 7270.08, 0.00312504/step, 2.32034 hours remaining, 234.058594 MB of memory in use. ENERGY: 2327000 3998.4956 20387.7226 14323.4613 245.6211 -202757.9882 2467.9891 0.0000 0.0000 52013.9684 -109320.7301 298.9250 -161334.6985 -108964.6095 298.7720 -276.8039 -255.2678 765864.9299 -10.9445 -10.8025 PRESSURE: 2327200 -106.783 -119.086 -214.589 -119.087 113.338 -160.598 -214.589 -160.598 128.057 GPRESSURE: 2327200 -112.824 -31.8238 -283.475 -68.7355 193.614 -163.408 -112.018 -18.6 123.851 PRESSAVG: 2327200 -20.6917 -34.9072 -28.7752 -34.9072 -1.92308 7.84348 -28.7751 7.84346 3.59868 GPRESSAVG: 2327200 -20.3355 -35.937 -27.2734 -32.8079 -2.74654 7.3964 -27.7789 8.46673 4.24259 TIMING: 2327200 CPU: 7270.7, 0.00311403/step Wall: 7270.7, 0.00311403/step, 2.31199 hours remaining, 234.058594 MB of memory in use. ENERGY: 2327200 3953.2937 20322.4398 14377.4330 250.3013 -202735.0797 2523.7823 0.0000 0.0000 52049.4078 -109258.4217 299.1287 -161307.8295 -108898.6086 299.0841 44.8709 68.2138 763261.5036 -6.3387 -6.2798 PRESSURE: 2327400 281.158 -208.27 -58.5346 -208.271 -112.491 51.8614 -58.5348 51.8615 -236.052 GPRESSURE: 2327400 134.52 -145.749 -173.053 -249.432 7.57989 -92.2986 -36.8082 189.599 -128.537 PRESSAVG: 2327400 -65.9422 -46.2781 18.8309 -46.278 59.9876 -2.48222 18.8309 -2.48215 -23.8883 GPRESSAVG: 2327400 -67.8638 -47.5616 18.0023 -47.5798 61.0691 -3.41319 20.3876 -2.68297 -23.204 TIMING: 2327400 CPU: 7271.32, 0.00309561/step Wall: 7271.32, 0.00309561/step, 2.29815 hours remaining, 234.058594 MB of memory in use. ENERGY: 2327400 3934.1396 20337.7152 14451.0870 237.7478 -203771.0405 3068.4579 0.0000 0.0000 52347.7139 -109394.1792 300.8430 -161741.8931 -109024.6811 298.9794 -22.4614 4.5209 762833.4856 -9.9476 -9.9996 PRESSURE: 2327600 -63.7622 -95.7207 -44.8488 -95.7216 65.5115 131.67 -44.8479 131.671 -229.523 GPRESSURE: 2327600 0.149746 -102.298 -69.5534 -51.7811 51.194 210.58 -23.1063 102.765 -191.541 PRESSAVG: 2327600 -7.69406 -35.5632 5.63106 -35.5632 7.88423 41.1434 5.63102 41.1434 -5.57824 GPRESSAVG: 2327600 -7.64503 -32.6853 5.21137 -35.4023 7.24322 41.2942 4.84075 40.686 -5.21958 TIMING: 2327600 CPU: 7271.94, 0.0030915/step Wall: 7271.94, 0.0030915/step, 2.29493 hours remaining, 234.058594 MB of memory in use. ENERGY: 2327600 3979.6014 20401.0767 14445.6272 238.6009 -203526.5874 2898.7326 0.0000 0.0000 52076.1911 -109486.7575 299.2826 -161562.9487 -109119.8847 299.0754 -75.9244 -46.7323 762197.6148 -1.7960 -1.8738 PRESSURE: 2327800 -115.298 34.853 1.96504 34.8535 -9.24792 -131.941 1.96569 -131.941 -346.285 GPRESSURE: 2327800 -88.8948 -97.1536 3.60986 -29.0054 84.083 -165.129 7.92067 -66.6794 -388.98 PRESSAVG: 2327800 8.93367 -12.9752 3.51869 -12.9753 -13.1036 -13.7702 3.51867 -13.7702 2.00631 GPRESSAVG: 2327800 10.4237 -13.2766 2.92734 -13.1698 -14.1877 -12.4083 5.0229 -14.8724 1.11944 TIMING: 2327800 CPU: 7272.56, 0.00311855/step Wall: 7272.56, 0.00311855/step, 2.31483 hours remaining, 234.058594 MB of memory in use. ENERGY: 2327800 3987.1047 20352.4090 14466.5277 236.4965 -203173.6220 2631.7631 0.0000 0.0000 52010.2201 -109489.1010 298.9034 -161499.3211 -109130.3197 298.8749 -156.9435 -131.2638 763790.9558 -0.7212 -0.8815 PRESSURE: 2328000 122.881 430.64 112.965 430.64 191.52 -189.362 112.965 -189.361 24.2339 GPRESSURE: 2328000 164.23 448.744 15.5599 334.167 181.904 -261.675 27.0338 -173.462 79.3775 PRESSAVG: 2328000 58.0601 36.4957 -13.9694 36.4957 -103.007 -15.0397 -13.9694 -15.0398 7.12685 GPRESSAVG: 2328000 59.3983 37.2288 -14.4829 37.2463 -103.719 -14.5782 -16.029 -15.9386 6.59123 TIMING: 2328000 CPU: 7273.18, 0.00310257/step Wall: 7273.18, 0.00310257/step, 2.3028 hours remaining, 234.058594 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: 2328000 3940.9301 20382.3406 14541.4258 246.8081 -203419.8822 3096.3580 0.0000 0.0000 51816.8636 -109395.1559 297.7922 -161212.0195 -109030.1388 298.5489 112.8784 141.8372 763148.8227 -12.6066 -12.5764 PRESSURE: 2328200 251.538 -109.911 73.1293 -109.911 -23.2587 -10.1634 73.1289 -10.1636 105.154 GPRESSURE: 2328200 195.541 -141.877 37.2451 -109.011 26.4555 42.4282 208.447 3.87816 193.701 PRESSAVG: 2328200 36.1188 -8.46001 -20.3299 -8.45997 -36.4078 15.0097 -20.3298 15.0098 -9.29814 GPRESSAVG: 2328200 33.7679 -9.67436 -18.9391 -9.13236 -34.6309 14.3952 -17.6367 14.6893 -8.81533 TIMING: 2328200 CPU: 7273.8, 0.0030862/step Wall: 7273.8, 0.0030862/step, 2.29048 hours remaining, 234.058594 MB of memory in use. ENERGY: 2328200 3948.9299 20321.2875 14432.3467 242.3197 -203158.8457 2794.1851 0.0000 0.0000 51677.0119 -109742.7650 296.9885 -161419.7769 -109400.2759 298.0805 111.1447 138.5657 762220.3583 -3.1957 -3.2261 LDB: ============= START OF LOAD BALANCING ============== 7286.27 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7286.27 LDB: =============== DONE WITH MIGRATION ================ 7286.27 LDB: ============= START OF LOAD BALANCING ============== 7286.58 LDB: Largest compute 7061 load 0.029842 is 15.3% of average load 0.195105 LDB: Average compute 0.004384 is 2.2% of average load 0.195105 LDB: TIME 7286.59 LOAD: AVG 0.195105 MAX 0.214958 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.754 MB LDB: TIME 7286.59 LOAD: AVG 0.195105 MAX 0.214958 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.754 MB LDB: TIME 7286.59 LOAD: AVG 0.195105 MAX 0.214958 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.754 MB LDB: ============== END OF LOAD BALANCING =============== 7286.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7286.59 PRESSURE: 2328400 509.342 86.9961 -68.5371 86.996 -55.3597 35.862 -68.5361 35.862 94.9062 GPRESSURE: 2328400 412.356 -37.7273 -120.674 18.7954 25.3692 56.415 16.5979 88.0587 221.639 PRESSAVG: 2328400 12.5361 -8.32653 23.8127 -8.32657 -11.3901 17.4076 23.8127 17.4076 5.19194 GPRESSAVG: 2328400 12.6808 -8.75664 23.1533 -9.85144 -12.1659 16.1744 22.8883 20.341 5.94554 TIMING: 2328400 CPU: 7274.43, 0.00314961/step Wall: 7274.43, 0.00314961/step, 2.33736 hours remaining, 235.648438 MB of memory in use. ENERGY: 2328400 4037.6679 20340.4185 14487.7429 235.9004 -203927.5715 3123.8518 0.0000 0.0000 51811.3934 -109890.5966 297.7608 -161701.9900 -109523.3434 298.0191 182.9628 219.7880 760665.3588 2.1126 2.1535 PRESSURE: 2328600 108.581 -265.049 -43.2392 -265.049 -72.1338 78.0601 -43.2379 78.0602 230.75 GPRESSURE: 2328600 53.2583 -156.241 -115.921 -313.648 121.737 37.2537 99.1645 -39.6335 190.89 PRESSAVG: 2328600 -21.1152 3.27595 -3.36081 3.27595 47.6457 -1.39222 -3.36082 -1.39223 15.361 GPRESSAVG: 2328600 -21.9405 4.47729 -3.48383 4.98152 48.401 1.65099 -3.64552 -5.11565 14.9805 TIMING: 2328600 CPU: 7275.05, 0.0030992/step Wall: 7275.05, 0.0030992/step, 2.29978 hours remaining, 235.648438 MB of memory in use. ENERGY: 2328600 3983.4740 20541.7453 14447.3754 245.9087 -203623.8736 2854.3711 0.0000 0.0000 51685.4745 -109865.5246 297.0371 -161550.9991 -109501.0238 297.8458 89.0657 121.9618 761595.4646 13.9638 13.8137 PRESSURE: 2328800 199.634 357.934 276.08 357.933 -121.613 -215.199 276.081 -215.197 -116.478 GPRESSURE: 2328800 256.841 297.675 245.177 404.033 -71.4613 -228.469 235.11 -235.48 -142.87 PRESSAVG: 2328800 47.825 7.42798 7.4916 7.42797 -34.8101 -33.7752 7.49162 -33.7752 31.5766 GPRESSAVG: 2328800 49.0083 5.99 8.81686 8.43045 -35.6895 -37.183 7.26535 -32.8815 31.0302 TIMING: 2328800 CPU: 7275.67, 0.00309736/step Wall: 7275.67, 0.00309736/step, 2.29824 hours remaining, 235.648438 MB of memory in use. ENERGY: 2328800 4033.4574 20331.5448 14412.7441 251.5947 -203553.7591 2725.7552 0.0000 0.0000 51870.2431 -109928.4198 298.0990 -161798.6629 -109556.1936 297.9610 -12.8192 14.1701 762921.3272 14.8638 14.7830 PRESSURE: 2329000 27.9388 -140.746 51.2933 -140.746 83.8903 -78.7986 51.2937 -78.7984 104.182 GPRESSURE: 2329000 134.488 -200.61 -72.3919 -144.446 114.747 -96.4365 -35.6778 81.3257 40.9216 PRESSAVG: 2329000 -50.5561 37.9281 10.9108 37.9282 -10.5909 24.4339 10.9108 24.434 -1.27976 GPRESSAVG: 2329000 -50.4407 38.8575 10.7834 36.7244 -9.88377 26.4583 9.50737 25.3625 -1.93572 TIMING: 2329000 CPU: 7276.29, 0.00310323/step Wall: 7276.29, 0.00310323/step, 2.30243 hours remaining, 235.906250 MB of memory in use. ENERGY: 2329000 4067.1483 20356.2796 14458.4220 268.6554 -203988.0158 3295.0080 0.0000 0.0000 51603.4407 -109939.0618 296.5657 -161542.5025 -109564.2575 297.6042 72.0036 96.7189 763667.5025 -20.8089 -20.7534 PRESSURE: 2329200 -218.988 55.7729 -290.257 55.7739 102.764 177.152 -290.257 177.151 -389.791 GPRESSURE: 2329200 -157.273 70.1298 -242.986 10.4066 45.9551 198.053 -200.081 82.0543 -315.788 PRESSAVG: 2329200 -32.9904 -51.1616 6.45502 -51.1616 60.9849 -7.61411 6.45501 -7.61408 -7.36246 GPRESSAVG: 2329200 -32.59 -50.9332 6.60632 -51.5931 60.4739 -9.29478 7.0468 -8.84959 -6.53587 TIMING: 2329200 CPU: 7276.91, 0.00310579/step Wall: 7276.91, 0.00310579/step, 2.30415 hours remaining, 235.906250 MB of memory in use. ENERGY: 2329200 4031.3490 20414.9228 14568.9207 251.4686 -203466.5411 2566.0007 0.0000 0.0000 51797.4800 -109836.3992 297.6808 -161633.8792 -109475.2152 297.4867 -168.6717 -142.3686 762469.3068 6.8774 7.1160 PRESSURE: 2329400 175.767 -176.281 -168.521 -176.281 -278.147 69.2172 -168.521 69.217 250.681 GPRESSURE: 2329400 229.665 -185.157 -156.168 -198.879 -290.794 48.3716 -80.8181 53.2861 274.167 PRESSAVG: 2329400 -20.2505 4.67094 9.3931 4.67095 41.2783 3.68333 9.39307 3.68331 3.67093 GPRESSAVG: 2329400 -22.0471 5.33649 8.67559 4.88861 42.0484 4.34606 10.0708 2.77203 4.10095 TIMING: 2329400 CPU: 7277.53, 0.00312018/step Wall: 7277.53, 0.00312018/step, 2.31466 hours remaining, 235.906250 MB of memory in use. ENERGY: 2329400 4052.5199 20540.7411 14394.9358 236.2448 -203376.1966 2844.0825 0.0000 0.0000 51793.6970 -109513.9754 297.6591 -161307.6724 -109155.3570 297.9605 49.4337 71.0129 762450.2529 8.2329 8.0341 PRESSURE: 2329600 173.165 -37.3347 -34.5813 -37.3344 -93.2214 -293.096 -34.5819 -293.097 498.16 GPRESSURE: 2329600 58.3366 -99.7618 -32.9079 49.6623 42.054 -254.885 4.27389 -153.436 561.757 PRESSAVG: 2329600 0.432943 -13.7952 17.3916 -13.7952 -19.7149 -23.4447 17.3917 -23.4447 7.09668 GPRESSAVG: 2329600 0.869622 -12.6568 18.0596 -14.0443 -19.6912 -22.0992 17.6746 -22.7364 7.02495 TIMING: 2329600 CPU: 7278.15, 0.00310586/step Wall: 7278.15, 0.00310586/step, 2.30386 hours remaining, 235.906250 MB of memory in use. ENERGY: 2329600 3972.8014 20650.4357 14414.6899 240.3835 -203722.5660 2987.4578 0.0000 0.0000 51982.8298 -109473.9679 298.7460 -161456.7977 -109125.9099 298.0697 192.7011 220.7158 762724.2182 -4.0618 -3.9322 PRESSURE: 2329800 55.0437 72.6176 -111.814 72.6173 73.9054 115.412 -111.814 115.413 128.234 GPRESSURE: 2329800 167.207 161.735 -252.812 45.303 17.8021 120.267 -29.4423 15.504 150.966 PRESSAVG: 2329800 25.7825 44.2519 -32.2562 44.2519 3.75663 -25.0994 -32.2563 -25.0993 -15.3351 GPRESSAVG: 2329800 25.3841 43.0608 -32.6664 45.1182 4.75224 -27.5075 -30.429 -23.6494 -15.8399 TIMING: 2329800 CPU: 7278.78, 0.00310645/step Wall: 7278.78, 0.00310645/step, 2.30412 hours remaining, 235.906250 MB of memory in use. ENERGY: 2329800 3977.2480 20371.2784 14427.6981 245.5592 -203143.9554 2719.4841 0.0000 0.0000 51978.6838 -109424.0038 298.7222 -161402.6876 -109060.6260 299.0682 85.7277 111.9916 762564.3611 4.7347 4.7655 PRESSURE: 2330000 -453.452 -155.335 73.6553 -155.334 -337.845 -156.258 73.6553 -156.258 -211.155 GPRESSURE: 2330000 -331.82 -249.509 99.8608 -118.711 -368.966 -172.15 167.012 -74.2469 -183.612 PRESSAVG: 2330000 -7.35875 18.6288 -54.3939 18.6288 -12.9892 -16.3171 -54.3939 -16.3172 13.8881 GPRESSAVG: 2330000 -5.49767 17.6964 -56.7857 19.5284 -14.2669 -14.23 -54.2175 -17.183 12.7672 TIMING: 2330000 CPU: 7279.4, 0.00310114/step Wall: 7279.4, 0.00310114/step, 2.30001 hours remaining, 235.906250 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: 2330000 3966.3409 20383.4904 14454.3001 229.4073 -203114.7874 2368.9232 0.0000 0.0000 52270.3631 -109441.9624 300.3985 -161712.3255 -109068.8790 298.9682 -334.1508 -294.7996 761889.2281 -2.1533 -2.3324 PRESSURE: 2330200 -138.13 153.151 135.305 153.152 -277.329 -69.2332 135.304 -69.2331 -303.502 GPRESSURE: 2330200 -163.883 149.436 129.526 8.7962 -213.481 -121.667 106.287 -62.1564 -251.468 PRESSAVG: 2330200 -29.0595 1.67805 -33.1058 1.67804 16.8127 13.2761 -33.1058 13.2762 -0.360993 GPRESSAVG: 2330200 -28.4047 -0.328477 -31.1554 1.971 16.3926 12.6019 -34.2737 12.0265 -0.834451 TIMING: 2330200 CPU: 7280.02, 0.00310121/step Wall: 7280.02, 0.00310121/step, 2.2999 hours remaining, 235.906250 MB of memory in use. ENERGY: 2330200 3925.9023 20416.0894 14361.4509 241.6205 -202844.7016 2364.2685 0.0000 0.0000 51943.4760 -109591.8942 298.5199 -161535.3702 -109231.6728 298.4489 -239.6539 -209.6104 762189.6030 -4.2026 -4.2822 PRESSURE: 2330400 54.0037 -20.8327 -212.09 -20.8326 -127.608 -152.104 -212.089 -152.104 -419.589 GPRESSURE: 2330400 38.8008 -29.0489 -232.441 76.8407 -87.6444 -7.65231 -266.264 -152.006 -333.856 PRESSAVG: 2330400 -20.5798 -10.764 -35.6322 -10.764 -4.62171 -24.0152 -35.6322 -24.0153 15.0266 GPRESSAVG: 2330400 -22.155 -10.9183 -35.7729 -9.89622 -3.60724 -24.0187 -36.0703 -20.5019 15.9759 TIMING: 2330400 CPU: 7280.64, 0.00311352/step Wall: 7280.64, 0.00311352/step, 2.30885 hours remaining, 235.906250 MB of memory in use. ENERGY: 2330400 3956.3984 20318.4182 14430.2981 254.2142 -202985.0997 2486.0135 0.0000 0.0000 52078.8983 -109460.8590 299.2981 -161539.7572 -109102.9050 298.7132 -164.3977 -127.5667 762525.9452 -3.3916 -3.2621 PRESSURE: 2330600 -17.2293 20.6339 13.8683 20.6341 -419.698 1.55844 13.8687 1.55791 235.037 GPRESSURE: 2330600 14.6986 56.8477 -28.0346 -13.4769 -434.889 -39.6833 228.224 30.0927 278.804 PRESSAVG: 2330600 11.0506 -50.6917 -48.8508 -50.6917 2.32976 -7.63259 -48.8508 -7.63261 -6.56975 GPRESSAVG: 2330600 9.74052 -48.6726 -48.5552 -53.8449 4.10868 -7.21243 -47.6502 -9.27998 -7.41381 TIMING: 2330600 CPU: 7281.26, 0.00310486/step Wall: 7281.26, 0.00310486/step, 2.30226 hours remaining, 235.906250 MB of memory in use. ENERGY: 2330600 3988.5527 20503.5524 14466.5056 254.4068 -203385.2240 2676.1506 0.0000 0.0000 52046.4896 -109449.5665 299.1119 -161496.0561 -109094.1894 298.8762 -67.2965 -47.1290 762840.6662 2.2702 2.1451 PRESSURE: 2330800 -221.783 -144.474 -73.6691 -144.474 -64.6874 -97.3414 -73.6693 -97.3405 -65.5637 GPRESSURE: 2330800 -155.064 -215.372 -51.923 -174.151 -78.7146 -151.171 -84.0547 -48.446 -58.716 PRESSAVG: 2330800 -9.37617 -24.7727 -62.6653 -24.7728 -3.54669 -17.8228 -62.6653 -17.8227 -1.20822 GPRESSAVG: 2330800 -7.80843 -25.8308 -61.8766 -23.7182 -5.94715 -17.5946 -63.0902 -19.0799 0.424467 TIMING: 2330800 CPU: 7281.88, 0.00311121/step Wall: 7281.88, 0.00311121/step, 2.30679 hours remaining, 235.906250 MB of memory in use. ENERGY: 2330800 3928.4648 20781.6636 14437.2022 236.9670 -203014.8742 2595.8510 0.0000 0.0000 51884.6651 -109150.0606 298.1819 -161034.7257 -108792.4741 298.9221 -117.3447 -97.4981 763983.1353 -4.7104 -4.4437 PRESSURE: 2331000 -370.575 0.720957 199.164 0.720484 50.2181 142.341 199.164 142.34 -234.823 GPRESSURE: 2331000 -293.708 10.0936 135.627 34.2378 101.154 135.819 150.05 30.2339 -282.32 PRESSAVG: 2331000 -21.9673 -38.4722 -38.6615 -38.4722 81.8341 -5.55207 -38.6615 -5.55207 25.5038 GPRESSAVG: 2331000 -21.0576 -36.4715 -39.2939 -39.4451 82.5531 -6.07035 -36.829 -4.35865 23.7867 TIMING: 2331000 CPU: 7282.5, 0.00310426/step Wall: 7282.5, 0.00310426/step, 2.30146 hours remaining, 235.906250 MB of memory in use. ENERGY: 2331000 4035.1309 20377.2195 14393.6978 253.2937 -202891.4451 2376.1842 0.0000 0.0000 52207.8054 -109248.1138 300.0390 -161455.9191 -108871.0089 299.2408 -185.0599 -158.2915 763663.3934 28.4568 28.4274 PRESSURE: 2331200 -228.707 10.2382 -9.14255 10.2378 -3.15555 18.2249 -9.14227 18.2255 48.9723 GPRESSURE: 2331200 -139.669 -80.744 9.05258 106.998 75.1589 51.8494 -106.369 -6.82613 -21.0039 PRESSAVG: 2331200 -52.2333 3.65998 23.1554 3.66 41.7736 -2.36441 23.1554 -2.36433 -8.44023 GPRESSAVG: 2331200 -51.9833 0.374875 24.29 5.92504 41.6049 -2.4247 18.8781 -3.17236 -7.75055 TIMING: 2331200 CPU: 7283.12, 0.00310713/step Wall: 7283.12, 0.00310713/step, 2.30342 hours remaining, 235.906250 MB of memory in use. ENERGY: 2331200 3971.7685 20449.2512 14438.4899 254.3448 -203109.1296 2855.0555 0.0000 0.0000 52087.5717 -109052.6480 299.3480 -161140.2197 -108690.8267 299.9702 -60.9633 -28.5048 762439.3379 -6.3000 -6.0430 PRESSURE: 2331400 94.0016 -131.415 -7.77199 -131.415 -6.24125 106.255 -7.77174 106.255 360.206 GPRESSURE: 2331400 183.332 -158.735 -101.378 -147.659 57.2925 57.7162 -34.7859 161.175 277.757 PRESSAVG: 2331400 -33.5294 -1.06794 16.3689 -1.06796 -1.21319 2.00097 16.3689 2.00098 9.39514 GPRESSAVG: 2331400 -33.9911 0.661589 15.7263 -2.34738 -0.214531 0.883721 17.6272 4.52815 8.46146 TIMING: 2331400 CPU: 7283.75, 0.00310863/step Wall: 7283.75, 0.00310863/step, 2.30436 hours remaining, 235.906250 MB of memory in use. ENERGY: 2331400 3933.2515 20509.3290 14366.8892 250.4917 -203115.9952 2903.2447 0.0000 0.0000 52079.4637 -109073.3254 299.3014 -161152.7891 -108705.7621 299.7249 149.3221 172.7941 761551.6209 -8.4492 -8.5814 PRESSURE: 2331600 -231.44 -132.891 52.9732 -132.891 2.67433 76.2804 52.9724 76.28 223.477 GPRESSURE: 2331600 -185.132 -179.324 -2.38078 -29.0825 67.6075 130.325 139.052 -108.521 210.123 PRESSAVG: 2331600 -38.5653 -31.1063 23.6086 -31.1064 79.7055 61.4842 23.6086 61.4842 17.8602 GPRESSAVG: 2331600 -39.1633 -30.3591 23.5215 -33.1844 80.1688 63.4467 24.3514 59.1196 17.8427 TIMING: 2331600 CPU: 7284.37, 0.00310394/step Wall: 7284.37, 0.00310394/step, 2.30071 hours remaining, 235.906250 MB of memory in use. ENERGY: 2331600 4046.4615 20652.4417 14395.5197 246.4452 -203458.0000 2978.1010 0.0000 0.0000 52171.6675 -108967.3634 299.8313 -161139.0310 -108601.7914 299.8740 -1.7629 30.8661 762347.5735 19.6668 19.6161 PRESSURE: 2331800 96.7074 -247.672 89.0499 -247.672 42.8698 65.0151 89.0496 65.0148 332.599 GPRESSURE: 2331800 104.115 -193.241 117.614 -152.765 91.4925 88.1333 -78.631 11.0488 346.626 PRESSAVG: 2331800 0.73271 16.5063 15.3374 16.5062 -0.934091 23.1404 15.3373 23.1404 6.6734 GPRESSAVG: 2331800 -0.19944 15.1524 15.7675 19.3474 -0.908023 22.4289 15.188 24.2091 7.08309 TIMING: 2331800 CPU: 7284.99, 0.00311976/step Wall: 7284.99, 0.00311976/step, 2.31227 hours remaining, 235.906250 MB of memory in use. ENERGY: 2331800 4110.4321 20729.2217 14429.3954 271.3649 -203339.9113 2790.5629 0.0000 0.0000 51941.0154 -109067.9189 298.5057 -161008.9343 -108708.3402 299.4670 157.3922 180.7444 761968.6052 2.1573 1.9919 PRESSURE: 2332000 163.856 85.9573 188.874 85.9576 79.3707 109.114 188.874 109.114 -243.337 GPRESSURE: 2332000 131.562 108.035 118.393 73.7699 134.378 116.225 61.7696 -65.3662 -178.372 PRESSAVG: 2332000 35.3361 -4.1621 28.2438 -4.16206 -51.5163 63.1978 28.2438 63.1979 -9.31409 GPRESSAVG: 2332000 35.9498 -1.58694 26.7673 -6.59738 -53.6272 63.26 27.9624 63.2153 -7.22361 TIMING: 2332000 CPU: 7285.61, 0.0031119/step Wall: 7285.61, 0.0031119/step, 2.30627 hours remaining, 235.906250 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: 2332000 4094.2038 20696.3649 14404.1663 231.6449 -203010.4833 2534.9606 0.0000 0.0000 52222.8045 -108826.3383 300.1252 -161049.1428 -108469.0304 299.7390 -0.0370 29.1894 762083.3096 -8.4981 -8.3004 PRESSURE: 2332200 164.699 -51.8138 20.7088 -51.8142 -58.5031 -202.994 20.7086 -202.995 295.878 GPRESSURE: 2332200 213.684 90.7441 -35.7277 -13.3756 -11.5243 -240.417 132.719 -87.0861 307.265 PRESSAVG: 2332200 13.9225 -7.22716 -6.38352 -7.2271 13.7846 -6.51405 -6.38362 -6.51407 6.04277 GPRESSAVG: 2332200 15.5761 -9.67935 -5.69114 -5.5712 13.6819 -7.15094 -6.20577 -7.09294 5.13832 TIMING: 2332200 CPU: 7286.24, 0.00310869/step Wall: 7286.24, 0.00310869/step, 2.30372 hours remaining, 235.906250 MB of memory in use. ENERGY: 2332200 3988.1285 20635.4720 14378.0151 251.1193 -202885.9519 2748.3561 0.0000 0.0000 52187.9978 -108696.8630 299.9251 -160884.8608 -108346.6139 300.1738 134.0246 169.8083 762831.9678 11.2500 11.4654 LDB: ============= START OF LOAD BALANCING ============== 7298.71 LDB: ============== END OF LOAD BALANCING =============== 7298.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7298.71 LDB: ============= START OF LOAD BALANCING ============== 7299.03 LDB: Largest compute 7078 load 0.030319 is 15.5% of average load 0.195146 LDB: Average compute 0.004381 is 2.2% of average load 0.195146 LDB: TIME 7299.03 LOAD: AVG 0.195146 MAX 0.216353 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.516 MB LDB: TIME 7299.03 LOAD: AVG 0.195146 MAX 0.216353 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.516 MB LDB: TIME 7299.03 LOAD: AVG 0.195146 MAX 0.216353 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.516 MB LDB: ============== END OF LOAD BALANCING =============== 7299.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7299.04 PRESSURE: 2332400 174.7 158.261 10.415 158.262 -133.396 -132.745 10.415 -132.745 340.659 GPRESSURE: 2332400 240.293 103.363 -12.4753 128.52 -120.128 -80.7389 -88.2679 -126.578 337.564 PRESSAVG: 2332400 8.76769 -46.5032 -32.625 -46.5033 -34.5046 10.1949 -32.625 10.1949 0.163429 GPRESSAVG: 2332400 7.59727 -46.0237 -32.9641 -46.3789 -32.6753 9.26368 -33.1463 12.385 -0.448016 TIMING: 2332400 CPU: 7286.87, 0.00318433/step Wall: 7286.87, 0.00318433/step, 2.35959 hours remaining, 233.640625 MB of memory in use. ENERGY: 2332400 4074.2644 20623.1724 14343.2392 252.4961 -202820.6597 2402.8377 0.0000 0.0000 52339.1707 -108785.4792 300.7939 -161124.6498 -108421.0078 300.5157 127.3208 152.5764 762529.9957 -8.5245 -8.5087 PRESSURE: 2332600 113.356 -84.4447 -65.3245 -84.4456 -137.803 -115.957 -65.3249 -115.956 259.276 GPRESSURE: 2332600 95.9613 54.5372 -119.317 -134.802 -48.895 -127.019 203.712 -248.261 265.171 PRESSAVG: 2332600 59.3358 -27.1469 23.1561 -27.1469 -35.4026 -52.4965 23.1561 -52.4965 -13.7957 GPRESSAVG: 2332600 59.0675 -27.2991 22.4718 -26.2073 -35.8214 -50.9709 23.5689 -55.3942 -13.6132 TIMING: 2332600 CPU: 7287.5, 0.00311483/step Wall: 7287.5, 0.00311483/step, 2.30791 hours remaining, 233.843750 MB of memory in use. ENERGY: 2332600 4026.3745 20492.3491 14401.0067 255.7891 -202996.3230 2726.8595 0.0000 0.0000 52210.3854 -108883.5587 300.0538 -161093.9441 -108518.4169 300.4300 78.2760 104.0791 762447.5589 3.3792 3.2109 PRESSURE: 2332800 -18.821 -31.2996 47.6423 -31.3002 -4.62739 166.809 47.643 166.81 -201.727 GPRESSURE: 2332800 -39.3077 -47.245 34.8768 7.37272 147.627 251.958 18.6159 243.728 -261.948 PRESSAVG: 2332800 -66.5464 -57.0236 -35.0698 -57.0236 80.0015 -30.5081 -35.0698 -30.5082 6.61638 GPRESSAVG: 2332800 -65.9189 -55.3477 -33.8912 -57.9851 80.1727 -29.328 -33.5827 -30.3038 5.87047 TIMING: 2332800 CPU: 7288.12, 0.00310191/step Wall: 7288.12, 0.00310191/step, 2.29817 hours remaining, 233.843750 MB of memory in use. ENERGY: 2332800 4035.0292 20421.5784 14444.4698 248.3725 -203316.2530 2967.0151 0.0000 0.0000 52205.1903 -108994.5978 300.0239 -161199.7880 -108628.5631 300.3064 -75.0584 -51.2095 763237.0522 6.6905 6.7081 PRESSURE: 2333000 -33.5981 122.947 22.9512 122.946 -222.309 -17.9882 22.9503 -17.9871 163.042 GPRESSURE: 2333000 -121.354 -40.3279 -84.2623 51.6937 -74.8059 -4.22606 67.8422 4.92279 192.289 PRESSAVG: 2333000 15.133 -26.0805 9.90105 -26.0806 5.25784 25.6338 9.90103 25.6338 -44.4603 GPRESSAVG: 2333000 14.3205 -26.908 9.41683 -28.2517 4.67975 25.0349 9.30085 26.0782 -43.2898 TIMING: 2333000 CPU: 7288.74, 0.0031018/step Wall: 7288.74, 0.0031018/step, 2.29792 hours remaining, 233.843750 MB of memory in use. ENERGY: 2333000 3988.0907 20426.9365 14392.6985 251.0461 -203060.6229 2574.9109 0.0000 0.0000 52343.7720 -109083.1682 300.8204 -161426.9402 -108727.2767 299.7732 -30.9550 -1.2903 764451.7441 -8.0231 -8.0965 PRESSURE: 2333200 -173.906 61.9254 -34.7139 61.9251 -171.055 34.2517 -34.7138 34.2524 -131.612 GPRESSURE: 2333200 -138.504 57.2637 1.45628 86.4622 -96.9806 125.138 -42.6161 -60.157 -149.268 PRESSAVG: 2333200 8.50735 27.9427 10.8639 27.9427 -17.7823 13.7044 10.8639 13.7044 7.96313 GPRESSAVG: 2333200 9.48312 28.1409 11.3465 28.5034 -17.9149 13.603 8.26811 12.2933 7.21399 TIMING: 2333200 CPU: 7289.36, 0.00309902/step Wall: 7289.36, 0.00309902/step, 2.29568 hours remaining, 233.843750 MB of memory in use. ENERGY: 2333200 4113.2280 20501.2186 14474.8235 249.3978 -202931.1780 2527.3611 0.0000 0.0000 51993.8564 -109071.2926 298.8094 -161065.1490 -108712.0139 299.4346 -158.8573 -128.2508 762517.4257 -0.4373 -0.4059 PRESSURE: 2333400 -69.3486 -92.1008 -53.3156 -92.1002 79.5854 -129.001 -53.3151 -129.001 242.561 GPRESSURE: 2333400 -54.3595 -76.8578 77.9944 -245.457 116.127 -145.547 -42.5627 -60.6257 300.58 PRESSAVG: 2333400 -13.1739 8.17972 1.25741 8.17966 25.3301 15.5338 1.2575 15.5339 -24.9391 GPRESSAVG: 2333400 -13.9564 7.97214 1.72888 9.81917 26.4736 15.6745 4.51545 17.2436 -24.9982 TIMING: 2333400 CPU: 7289.98, 0.00310117/step Wall: 7289.98, 0.00310117/step, 2.2971 hours remaining, 233.843750 MB of memory in use. ENERGY: 2333400 3970.7965 20407.5319 14432.9210 246.6913 -202947.0037 2740.8425 0.0000 0.0000 52012.7894 -109135.4312 298.9182 -161148.2205 -108769.9513 299.4371 84.2658 120.7827 762521.4855 -4.2610 -4.1603 PRESSURE: 2333600 -56.006 -34.3513 182.961 -34.3512 97.9867 150.89 182.961 150.889 -206.716 GPRESSURE: 2333600 -20.6604 88.1522 190.04 -84.605 107.621 251.122 109.662 -86.2734 -174.592 PRESSAVG: 2333600 1.41648 27.4702 -12.7072 27.4702 13.8442 -5.74037 -12.7071 -5.74046 -13.4617 GPRESSAVG: 2333600 2.62747 27.6066 -13.0414 26.9676 12.1992 -5.95257 -14.5381 -5.02423 -13.6089 TIMING: 2333600 CPU: 7290.6, 0.0030989/step Wall: 7290.6, 0.0030989/step, 2.29525 hours remaining, 233.843750 MB of memory in use. ENERGY: 2333600 4070.0549 20342.9084 14536.1989 240.3480 -203037.9446 2654.5805 0.0000 0.0000 52080.1148 -109113.7389 299.3051 -161193.8538 -108752.6924 299.4796 -54.9119 -29.2104 762984.1351 0.5997 0.4059 PRESSURE: 2333800 11.9395 -131.967 112.632 -131.968 -146.344 -306.353 112.632 -306.352 301.081 GPRESSURE: 2333800 56.6363 -143.735 86.4503 -223.103 -91.6163 -271.15 12.8967 -166.093 273.837 PRESSAVG: 2333800 -21.9067 -25.5721 28.8395 -25.5721 62.63 8.77143 28.8396 8.77146 -18.3506 GPRESSAVG: 2333800 -23.1392 -25.6014 28.149 -26.1748 62.6385 8.64664 27.9716 7.8039 -17.1496 TIMING: 2333800 CPU: 7291.22, 0.00309751/step Wall: 7291.22, 0.00309751/step, 2.29405 hours remaining, 233.843750 MB of memory in use. ENERGY: 2333800 3901.1964 20475.1378 14502.2069 239.3241 -202923.0925 2546.4313 0.0000 0.0000 52074.4470 -109184.3490 299.2726 -161258.7960 -108818.7197 299.4796 55.5587 79.6190 762769.3306 7.4576 7.4499 PRESSURE: 2334000 -87.4708 55.132 122.703 55.1313 98.4695 55.1309 122.702 55.1299 169.469 GPRESSURE: 2334000 -60.5023 -25.9898 111.024 142.839 178.696 106.415 33.9592 76.0631 158.883 PRESSAVG: 2334000 -3.53502 53.948 57.669 53.9479 -21.9578 -5.11068 57.669 -5.11071 10.0263 GPRESSAVG: 2334000 -3.70144 55.307 58.6478 54.5496 -20.9788 -5.28132 59.2008 -3.50991 8.98199 TIMING: 2334000 CPU: 7291.84, 0.00310449/step Wall: 7291.84, 0.00310449/step, 2.29905 hours remaining, 233.843750 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: 2334000 3999.9206 20433.6505 14442.0172 246.9093 -203219.0301 2822.3866 0.0000 0.0000 51920.5399 -109353.6060 298.3881 -161274.1459 -108992.4331 298.7657 60.1558 92.3589 762790.0583 -5.1555 -5.2327 PRESSURE: 2334200 -57.9332 74.957 -62.4804 74.9573 -121.394 -285.594 -62.4796 -285.594 409.071 GPRESSURE: 2334200 -23.7602 93.0383 -62.4384 61.4683 -63.6402 -347.885 -37.9679 -214.054 401.564 PRESSAVG: 2334200 -44.0584 16.9676 27.1545 16.9676 25.2709 -23.7952 27.1545 -23.7951 19.0316 GPRESSAVG: 2334200 -42.6861 16.1503 27.6888 16.8656 24.3123 -25.4305 25.1736 -23.663 19.05 TIMING: 2334200 CPU: 7292.46, 0.00310833/step Wall: 7292.46, 0.00310833/step, 2.30172 hours remaining, 233.843750 MB of memory in use. ENERGY: 2334200 3892.1819 20491.4168 14552.1654 241.6163 -203103.1628 2787.7344 0.0000 0.0000 52053.7489 -109084.2991 299.1536 -161138.0480 -108729.2313 298.9514 76.5812 104.7214 762642.6207 0.0814 0.2254 PRESSURE: 2334400 86.6095 -25.7347 -288.647 -25.7339 29.0394 -54.2851 -288.646 -54.2847 -274.539 GPRESSURE: 2334400 127.527 -32.5777 -305.618 0.514613 16.8708 -78.7388 -304.953 42.2857 -208.142 PRESSAVG: 2334400 -14.5361 61.7196 -47.4819 61.7196 17.2427 -42.2949 -47.4819 -42.2949 -16.3784 GPRESSAVG: 2334400 -16.0297 60.0961 -48.1706 63.1717 18.0132 -40.9044 -45.697 -45.3096 -15.8668 TIMING: 2334400 CPU: 7293.08, 0.00311033/step Wall: 7293.08, 0.00311033/step, 2.30303 hours remaining, 233.843750 MB of memory in use. ENERGY: 2334400 3892.4365 20456.3444 14457.6431 252.0118 -203028.6186 2762.9153 0.0000 0.0000 52116.9865 -109090.2810 299.5170 -161207.2675 -108730.3753 299.1987 -52.9632 -21.2479 762441.8505 -4.5573 -4.6278 PRESSURE: 2334600 139.447 132.837 -34.4339 132.837 -277.761 -142.328 -34.4338 -142.328 308.099 GPRESSURE: 2334600 152.337 70.8545 -1.69144 -26.8381 -194.639 -193.457 62.198 -28.9694 308.43 PRESSAVG: 2334600 43.1308 30.8049 -29.3607 30.805 -18.9118 -67.1068 -29.3608 -67.1068 16.3479 GPRESSAVG: 2334600 43.1277 31.1306 -28.9046 30.3028 -19.0562 -69.0187 -30.847 -63.5782 16.2071 TIMING: 2334600 CPU: 7293.7, 0.00309746/step Wall: 7293.7, 0.00309746/step, 2.29332 hours remaining, 233.843750 MB of memory in use. ENERGY: 2334600 3992.9320 20432.7747 14533.1812 252.8426 -202995.7094 2593.5171 0.0000 0.0000 52207.3116 -108983.1503 300.0361 -161190.4619 -108630.9797 299.5123 56.5951 88.7095 763675.4858 13.5223 13.4262 PRESSURE: 2334800 184.259 -165.103 -76.76 -165.103 345.527 108.868 -76.7596 108.869 214.778 GPRESSURE: 2334800 234.662 -141.694 -5.90285 -216.986 320.048 64.8949 58.725 25.3488 286.942 PRESSAVG: 2334800 7.34537 -17.0143 -13.899 -17.0142 -25.2833 29.3509 -13.8991 29.3509 1.35232 GPRESSAVG: 2334800 8.10408 -16.61 -13.0854 -17.6736 -26.738 29.4622 -12.1834 28.0051 1.68946 TIMING: 2334800 CPU: 7294.32, 0.00310357/step Wall: 7294.32, 0.00310357/step, 2.29768 hours remaining, 233.843750 MB of memory in use. ENERGY: 2334800 4024.8364 20441.7578 14485.7325 256.8213 -203522.0470 2841.0544 0.0000 0.0000 52306.4100 -109165.4345 300.6057 -161471.8446 -108796.8146 299.1295 248.1879 280.5507 762169.8083 -5.5285 -5.6481 PRESSURE: 2335000 -391.534 -30.4486 -55.0963 -30.4485 -343.728 -172.075 -55.0952 -172.075 -261.486 GPRESSURE: 2335000 -365.259 1.85426 -167.577 32.6049 -307.38 -109.087 18.1037 -247.389 -241.251 PRESSAVG: 2335000 16.2052 4.4948 42.2461 4.49483 -20.5365 19.0485 42.246 19.0485 17.8759 GPRESSAVG: 2335000 15.5319 5.5206 41.5025 6.52487 -18.9677 21.4605 41.4762 17.0884 16.8375 TIMING: 2335000 CPU: 7294.94, 0.0031034/step Wall: 7294.94, 0.0031034/step, 2.29738 hours remaining, 233.843750 MB of memory in use. ENERGY: 2335000 4166.5488 20412.4775 14481.0083 239.6528 -203011.3215 2452.1311 0.0000 0.0000 52157.8909 -109101.6120 299.7521 -161259.5029 -108739.6196 299.8083 -332.2492 -304.6298 761902.5819 4.5149 4.4672 PRESSURE: 2335200 -100.172 -93.713 -170.766 -93.7127 -65.9295 -28.9404 -170.766 -28.9414 -90.7141 GPRESSURE: 2335200 -79.3943 -41.7702 -183.955 -138.102 -30.4545 -47.7594 -172.127 -5.79116 -50.8137 PRESSAVG: 2335200 6.29783 45.9332 -15.2001 45.9332 -2.38474 9.304 -15.2002 9.30392 16.0195 GPRESSAVG: 2335200 6.86701 45.8726 -14.3005 44.3695 -3.46672 7.56791 -15.301 11.8675 16.915 TIMING: 2335200 CPU: 7295.56, 0.00310552/step Wall: 7295.56, 0.00310552/step, 2.29877 hours remaining, 233.843750 MB of memory in use. ENERGY: 2335200 4064.1605 20461.7904 14389.2681 271.8058 -203056.1591 2566.6821 0.0000 0.0000 52127.5404 -109174.9119 299.5777 -161302.4523 -108803.7567 299.7571 -85.6053 -53.5542 763291.5074 6.6442 6.7718 PRESSURE: 2335400 200.025 14.443 127.329 14.4426 -299.569 -244.864 127.33 -244.864 -252.006 GPRESSURE: 2335400 205.499 0.341084 37.8328 49.3152 -136.152 -231.454 34.0291 -344.86 -325.375 PRESSAVG: 2335400 46.5427 20.083 19.2949 20.0831 2.77758 36.3968 19.2949 36.3967 17.9487 GPRESSAVG: 2335400 44.7525 20.5845 18.695 20.4062 5.27442 36.7815 19.1122 34.3961 17.657 TIMING: 2335400 CPU: 7296.18, 0.00309849/step Wall: 7296.18, 0.00309849/step, 2.2934 hours remaining, 233.843750 MB of memory in use. ENERGY: 2335400 4086.4868 20477.9084 14424.2969 235.4226 -203600.8356 2945.2248 0.0000 0.0000 52056.4705 -109375.0257 299.1693 -161431.4961 -109015.4527 299.4990 -117.1835 -85.3427 761485.2211 22.4230 22.5613 PRESSURE: 2335600 -34.6147 -131.09 9.17655 -131.091 112.58 -280.051 9.17705 -280.052 9.02437 GPRESSURE: 2335600 50.8807 -107.168 -21.6785 -172.89 118.854 -282.77 18.9593 -255.944 17.31 PRESSAVG: 2335600 17.1391 35.3359 -37.7215 35.3358 -42.431 -8.1224 -37.7215 -8.12241 24.4132 GPRESSAVG: 2335600 19.105 34.465 -37.9704 34.4467 -43.8389 -6.86895 -36.2117 -6.06309 24.1977 TIMING: 2335600 CPU: 7296.8, 0.00310562/step Wall: 7296.8, 0.00310562/step, 2.2985 hours remaining, 233.843750 MB of memory in use. ENERGY: 2335600 4029.5580 20348.8615 14459.0927 256.2134 -203563.4800 3081.5078 0.0000 0.0000 51962.7854 -109425.4611 298.6308 -161388.2465 -109073.9424 299.2642 28.9964 62.3481 761178.8311 -0.2929 -0.1787 PRESSURE: 2335800 82.6242 26.796 83.4737 26.7961 104.369 -128.338 83.4747 -128.339 -34.1232 GPRESSURE: 2335800 184.679 -38.7473 115.382 -14.1906 196.412 -131.424 -11.1591 -73.3378 -149.752 PRESSAVG: 2335800 53.1177 0.331413 -9.83917 0.331443 -35.3048 2.62843 -9.83917 2.62849 -0.470531 GPRESSAVG: 2335800 54.3606 1.16398 -10.9443 1.66663 -36.102 1.45258 -10.9067 1.30444 -0.863014 TIMING: 2335800 CPU: 7297.42, 0.00309721/step Wall: 7297.42, 0.00309721/step, 2.29211 hours remaining, 233.843750 MB of memory in use. ENERGY: 2335800 4014.3667 20417.4729 14404.3624 237.9650 -203028.0977 2532.1229 0.0000 0.0000 52156.4532 -109265.3545 299.7439 -161421.8078 -108893.9527 298.9924 50.9566 77.1131 759242.1533 5.7808 5.7985 PRESSURE: 2336000 433.876 185.849 -0.656542 185.849 -46.748 -85.4804 -0.656949 -85.4805 263.276 GPRESSURE: 2336000 405.251 179.325 -11.8324 132.368 -10.3915 -31.2781 -37.5268 -151.977 325.917 PRESSAVG: 2336000 18.8017 20.5044 -22.8952 20.5043 -14.5724 14.8411 -22.8952 14.841 3.25336 GPRESSAVG: 2336000 17.8354 19.2449 -22.4629 20.2346 -13.5773 15.6422 -24.0767 15.9664 3.20611 TIMING: 2336000 CPU: 7298.04, 0.00308941/step Wall: 7298.04, 0.00308941/step, 2.28617 hours remaining, 233.843750 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: 2336000 3995.2443 20587.5364 14509.7418 254.9583 -203351.3918 2941.5250 0.0000 0.0000 51947.0365 -109115.3496 298.5403 -161062.3861 -108761.1872 299.4094 216.8014 240.2589 760546.3520 2.4942 2.4881 PRESSURE: 2336200 26.3943 6.81733 -87.9969 6.81751 145.249 -36.5159 -87.9963 -36.5146 -135.806 GPRESSURE: 2336200 30.6856 -21.9521 -7.16082 1.03957 154.689 -91.0406 -92.8264 -153.567 -58.6201 PRESSAVG: 2336200 29.0562 -27.6632 -49.1737 -27.6632 -19.2289 -14.957 -49.1737 -14.9569 8.03705 GPRESSAVG: 2336200 27.7922 -27.2212 -48.361 -27.608 -18.7875 -16.2426 -48.1073 -15.4148 8.52762 TIMING: 2336200 CPU: 7298.66, 0.00309598/step Wall: 7298.66, 0.00309598/step, 2.29085 hours remaining, 233.843750 MB of memory in use. ENERGY: 2336200 4019.2137 20572.8502 14450.9552 231.4628 -203633.2751 3013.0887 0.0000 0.0000 52029.3041 -109316.4003 299.0131 -161345.7045 -108958.6601 299.3355 11.9458 42.2515 762852.3493 5.9548 5.8441 LDB: ============= START OF LOAD BALANCING ============== 7311.14 LDB: ============== END OF LOAD BALANCING =============== 7311.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7311.14 LDB: ============= START OF LOAD BALANCING ============== 7311.45 LDB: Largest compute 7031 load 0.030481 is 15.6% of average load 0.195120 LDB: Average compute 0.004398 is 2.3% of average load 0.195120 LDB: TIME 7311.45 LOAD: AVG 0.19512 MAX 0.214702 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.293 MB LDB: TIME 7311.45 LOAD: AVG 0.19512 MAX 0.214702 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.293 MB LDB: TIME 7311.45 LOAD: AVG 0.19512 MAX 0.214702 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.293 MB LDB: ============== END OF LOAD BALANCING =============== 7311.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7311.46 PRESSURE: 2336400 -248.927 14.1515 -83.6303 14.151 173.938 -238.324 -83.631 -238.324 24.7831 GPRESSURE: 2336400 -213.765 110.801 -118.991 99.2547 237.894 -210.424 -106.418 -111.117 5.49054 PRESSAVG: 2336400 34.1165 17.9993 -19.0289 17.9993 -31.0089 42.8427 -19.029 42.8427 -14.2034 GPRESSAVG: 2336400 35.9129 16.8119 -19.7015 17.9861 -33.0793 44.22 -20.1842 42.8728 -14.2508 TIMING: 2336400 CPU: 7299.29, 0.0031709/step Wall: 7299.29, 0.0031709/step, 2.34611 hours remaining, 233.730469 MB of memory in use. ENERGY: 2336400 4088.5678 20526.4472 14392.4845 265.6625 -203742.4670 2829.0967 0.0000 0.0000 52068.4192 -109571.7891 299.2379 -161640.2083 -109218.6421 299.2156 -16.7356 9.8733 761766.3162 -3.6986 -3.8057 PRESSURE: 2336600 61.6927 -136.621 -220.992 -136.622 -148.034 33.4162 -220.992 33.4163 290.674 GPRESSURE: 2336600 85.2054 -64.1358 -307.926 -148.344 -148.157 48.1032 -198.915 24.3001 354.872 PRESSAVG: 2336600 20.4154 13.0462 -52.9876 13.0462 -6.28184 -9.21222 -52.9877 -9.2122 -34.7401 GPRESSAVG: 2336600 18.6728 14.1412 -53.3324 11.4868 -3.83186 -9.54907 -52.3547 -10.5497 -35.1376 TIMING: 2336600 CPU: 7299.91, 0.00309516/step Wall: 7299.91, 0.00309516/step, 2.2899 hours remaining, 233.730469 MB of memory in use. ENERGY: 2336600 3915.1357 20542.6919 14392.7781 248.1696 -203884.0145 3010.0008 0.0000 0.0000 52046.2320 -109729.0063 299.1104 -161775.2383 -109355.8053 298.3443 68.1109 97.3068 762796.9752 -6.8688 -6.7655 PRESSURE: 2336800 46.99 298.208 -13.5794 298.208 335.844 51.3904 -13.5796 51.3908 48.5265 GPRESSURE: 2336800 114.323 269.07 10.218 284.561 250.978 -18.5986 15.6147 176.367 167.058 PRESSAVG: 2336800 18.1922 -7.76018 -22.0511 -7.76027 -40.7759 4.48615 -22.0511 4.48612 5.48219 GPRESSAVG: 2336800 19.8896 -7.84152 -21.6616 -5.57896 -42.4522 4.39737 -22.5268 7.76603 5.45778 TIMING: 2336800 CPU: 7300.53, 0.00310446/step Wall: 7300.53, 0.00310446/step, 2.29661 hours remaining, 233.730469 MB of memory in use. ENERGY: 2336800 3961.3826 20717.9033 14444.2584 243.8202 -204041.7120 3125.2592 0.0000 0.0000 51963.8818 -109585.2065 298.6371 -161549.0883 -109232.1524 298.4222 143.7868 177.4529 762367.8379 -5.7005 -5.7016 PRESSURE: 2337000 86.4716 163.643 9.84285 163.643 451.398 37.5223 9.84244 37.5221 318.844 GPRESSURE: 2337000 229.845 150.716 151.215 21.2022 365.965 -34.8393 -62.4214 -43.9941 334.801 PRESSAVG: 2337000 -17.3387 15.855 1.42024 15.855 31.7649 -17.1197 1.42024 -17.1196 4.50147 GPRESSAVG: 2337000 -17.6722 14.2871 1.10803 14.2026 31.3897 -18.3595 2.69681 -19.9075 4.89694 TIMING: 2337000 CPU: 7301.15, 0.0030857/step Wall: 7301.15, 0.0030857/step, 2.28256 hours remaining, 233.730469 MB of memory in use. ENERGY: 2337000 3965.9775 20502.8841 14477.1767 251.4106 -204011.7346 3140.5189 0.0000 0.0000 52270.0794 -109403.6874 300.3969 -161673.7668 -109035.9386 299.5170 285.5711 310.2035 763050.2546 6.3092 6.2048 PRESSURE: 2337200 -68.346 -21.5819 -33.0454 -21.5814 -467.68 34.4787 -33.0433 34.4784 -131.562 GPRESSURE: 2337200 -68.3739 -36.6283 -21.9573 -203.358 -387.077 86.6413 -92.1091 39.7141 -136.312 PRESSAVG: 2337200 32.5829 11.196 -64.9586 11.196 -45.758 31.1621 -64.9586 31.1621 -4.63941 GPRESSAVG: 2337200 32.3947 13.8767 -64.4088 11.0208 -45.9665 31.6191 -66.6953 32.1908 -4.3037 TIMING: 2337200 CPU: 7301.77, 0.00309498/step Wall: 7301.77, 0.00309498/step, 2.28925 hours remaining, 233.730469 MB of memory in use. ENERGY: 2337200 4066.1109 20593.7315 14405.7764 267.6050 -203464.9979 2773.7274 0.0000 0.0000 52027.2246 -109330.8221 299.0012 -161358.0467 -108962.5077 299.3684 -222.5295 -197.2542 762105.1438 -5.9382 -5.9585 PRESSURE: 2337400 164.654 97.6562 -222.159 97.6563 200.334 -59.8943 -222.159 -59.8938 415.1 GPRESSURE: 2337400 224.461 53.262 -239.038 104.277 262.355 -26.5681 -153.836 -23.7409 370.417 PRESSAVG: 2337400 39.935 15.6204 -38.4081 15.6205 12.1901 83.8019 -38.4081 83.8018 -20.495 GPRESSAVG: 2337400 39.2919 13.9195 -39.1116 14.5688 13.1462 84.9877 -36.0702 83.7781 -20.6237 TIMING: 2337400 CPU: 7302.39, 0.00309908/step Wall: 7302.39, 0.00309908/step, 2.29211 hours remaining, 233.730469 MB of memory in use. ENERGY: 2337400 3947.6729 20591.6857 14505.3200 257.2943 -203575.5558 2830.0438 0.0000 0.0000 52285.4441 -109158.0950 300.4852 -161443.5391 -108797.0210 299.6148 260.0294 285.7442 761866.7098 10.5433 10.6048 PRESSURE: 2337600 40.1471 -93.8367 141.467 -93.837 -129.764 95.7737 141.467 95.7738 -144.899 GPRESSURE: 2337600 50.4157 106.717 129.181 40.694 -82.5383 203.123 176.446 -54.2876 -128.919 PRESSAVG: 2337600 77.8151 25.6186 38.8129 25.6186 -60.6761 4.69175 38.8129 4.69172 17.834 GPRESSAVG: 2337600 76.9445 26.0231 39.1801 28.8319 -61.1229 3.39652 37.3377 5.90193 19.022 TIMING: 2337600 CPU: 7303.01, 0.00310842/step Wall: 7303.01, 0.00310842/step, 2.29885 hours remaining, 233.730469 MB of memory in use. ENERGY: 2337600 3958.3405 20556.6585 14461.1247 243.2364 -203548.4117 2718.4636 0.0000 0.0000 52338.1032 -109272.4848 300.7878 -161610.5880 -108919.2586 299.4621 -78.1720 -53.6804 761094.1708 11.6577 11.6145 PRESSURE: 2337800 74.9962 12.8678 200.533 12.8682 188.5 39.3473 200.533 39.3469 -397.234 GPRESSURE: 2337800 141.008 33.5193 215.337 29.8035 191.458 13.9215 226.929 -73.0822 -361.62 PRESSAVG: 2337800 42.1497 10.2349 -24.7404 10.2349 -47.7474 50.4526 -24.7403 50.4526 0.367705 GPRESSAVG: 2337800 41.7229 9.50271 -23.3763 9.11506 -47.3994 51.9596 -22.2374 47.5962 0.204585 TIMING: 2337800 CPU: 7303.63, 0.00308402/step Wall: 7303.63, 0.00308402/step, 2.28063 hours remaining, 233.730469 MB of memory in use. ENERGY: 2337800 4007.8550 20566.2509 14484.1903 250.4231 -203299.6195 2647.6483 0.0000 0.0000 51979.5786 -109363.6734 298.7274 -161343.2520 -109008.8512 299.0921 -44.5792 -9.7181 760604.5558 -1.7433 -1.8240 PRESSURE: 2338000 305.768 -17.1754 -156.334 -17.1751 -342.042 -76.8638 -156.334 -76.8637 251.458 GPRESSURE: 2338000 352.053 -5.66833 -184.733 2.80721 -241.408 -112.515 -154.481 -149.632 173.29 PRESSAVG: 2338000 10.7517 4.56681 -0.184507 4.56685 -18.0453 14.3011 -0.184562 14.3011 29.1858 GPRESSAVG: 2338000 9.92702 5.12163 -1.64678 6.07095 -17.1213 14.965 -3.61517 15.7291 29.0312 TIMING: 2338000 CPU: 7304.25, 0.00312324/step Wall: 7304.25, 0.00312324/step, 2.30946 hours remaining, 233.730469 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: 2338000 4011.0429 20410.2422 14440.8946 235.6443 -203472.1693 2859.6598 0.0000 0.0000 52132.8772 -109381.8082 299.6084 -161514.6854 -109018.4067 298.8829 71.7281 94.6449 761698.3325 7.2974 7.2789 PRESSURE: 2338200 -18.8283 -195.345 184.831 -195.344 98.5159 135.215 184.831 135.215 252.853 GPRESSURE: 2338200 112.789 -241.964 203.195 -97.3639 54.2156 183.26 133.213 79.0022 262.887 PRESSAVG: 2338200 2.46958 32.2724 -44.9834 32.2724 13.1547 22.9326 -44.9835 22.9326 -17.7708 GPRESSAVG: 2338200 4.78511 32.7897 -45.9087 30.2833 12.2431 20.3366 -43.8389 25.3805 -18.871 TIMING: 2338200 CPU: 7304.87, 0.00310408/step Wall: 7304.87, 0.00310408/step, 2.29512 hours remaining, 233.730469 MB of memory in use. ENERGY: 2338200 3982.3004 20567.5820 14417.4089 250.2597 -203780.3636 2956.8681 0.0000 0.0000 52203.9930 -109401.9516 300.0171 -161605.9446 -109039.4254 298.9599 110.8468 143.2970 761088.5804 -0.7155 -0.6143 PRESSURE: 2338400 111.413 230.54 -15.1116 230.54 211.387 354.533 -15.1108 354.533 234.287 GPRESSURE: 2338400 109.417 194.952 -75.3219 175.938 207.842 295.086 56.8008 325.439 318.166 PRESSAVG: 2338400 2.09473 39.625 -15.3576 39.6249 -13.2836 31.3229 -15.3576 31.3228 10.5804 GPRESSAVG: 2338400 1.78365 39.3539 -16.3151 40.3311 -14.8391 31.26 -15.3335 30.8521 11.9804 TIMING: 2338400 CPU: 7305.49, 0.0031075/step Wall: 7305.49, 0.0031075/step, 2.29748 hours remaining, 233.730469 MB of memory in use. ENERGY: 2338400 4017.7855 20535.1343 14419.1018 254.0691 -203818.5168 3143.6621 0.0000 0.0000 51951.6997 -109497.0644 298.5671 -161448.7641 -109128.7846 299.5923 185.6955 211.8082 761625.4505 -0.2028 -0.3584 PRESSURE: 2338600 360.319 60.3751 -61.692 60.3759 -244.151 -10.5266 -61.6918 -10.5278 -65.1812 GPRESSURE: 2338600 184.105 -8.13255 -121.277 51.8431 -125.339 -2.86135 -39.9281 -21.2129 66.9717 PRESSAVG: 2338600 13.8387 39.652 28.6743 39.652 -57.1038 -12.2907 28.6743 -12.2907 -1.94684 GPRESSAVG: 2338600 11.4881 39.572 31.4372 39.1617 -54.8137 -11.2459 29.157 -12.7316 -1.44518 TIMING: 2338600 CPU: 7306.11, 0.00309194/step Wall: 7306.11, 0.00309194/step, 2.2858 hours remaining, 233.730469 MB of memory in use. ENERGY: 2338600 3905.3513 20728.9178 14529.2488 242.6456 -203572.8242 2817.7903 0.0000 0.0000 52021.6499 -109327.2205 298.9691 -161348.8704 -108976.0386 298.8246 16.9958 41.9126 763768.4213 -15.0706 -14.9236 PRESSURE: 2338800 -232.551 -114.387 -44.1522 -114.386 -33.3831 49.138 -44.1524 49.1384 -155.578 GPRESSURE: 2338800 -171.32 -163.211 -21.1658 -52.348 -130.018 29.8942 20.604 57.0987 -26.4255 PRESSAVG: 2338800 3.07267 -32.3519 4.93432 -32.3519 -39.8753 4.93143 4.93431 4.93132 9.2109 GPRESSAVG: 2338800 4.53462 -30.4679 3.46027 -32.5584 -41.6318 5.5248 5.90155 5.12397 8.96759 TIMING: 2338800 CPU: 7306.73, 0.00309551/step Wall: 7306.73, 0.00309551/step, 2.28827 hours remaining, 233.730469 MB of memory in use. ENERGY: 2338800 3977.3139 20500.9621 14503.1821 263.6350 -203270.5383 2664.3948 0.0000 0.0000 52207.4500 -109153.6004 300.0369 -161361.0504 -108781.9561 299.9302 -140.5040 -109.2544 762938.4610 -9.1973 -9.3765 PRESSURE: 2339000 -280.815 12.2114 -35.4184 12.2121 53.7031 235.848 -35.418 235.847 92.9389 GPRESSURE: 2339000 -265.703 108.2 -64.7961 -34.0024 107.717 289.508 36.9976 303.879 117.973 PRESSAVG: 2339000 26.9859 42.9218 -5.44225 42.9218 2.67781 52.7847 -5.44219 52.7848 22.8261 GPRESSAVG: 2339000 27.7881 40.9827 -5.16847 41.9195 2.59977 53.3522 -7.76329 51.8366 21.8182 TIMING: 2339000 CPU: 7307.35, 0.00309766/step Wall: 7307.35, 0.00309766/step, 2.28969 hours remaining, 233.730469 MB of memory in use. ENERGY: 2339000 4089.6961 20591.6516 14425.4339 233.1596 -203254.4205 2809.3628 0.0000 0.0000 52095.1672 -109009.9494 299.3916 -161105.1165 -108657.7060 299.6264 -44.7243 -13.3380 762748.1516 17.4966 17.4020 PRESSURE: 2339200 -18.0097 140.546 -303.693 140.546 -178.028 -126.302 -303.693 -126.303 181.614 GPRESSURE: 2339200 -24.8537 90.8975 -195.028 194.177 -103.972 -252.484 -337.901 -129.462 216.857 PRESSAVG: 2339200 -19.847 42.5492 30.4357 42.5492 -25.9856 56.0951 30.4357 56.0951 8.29118 GPRESSAVG: 2339200 -21.4956 42.9752 30.0798 45.0828 -24.8309 56.5868 29.4626 56.2779 8.85959 TIMING: 2339200 CPU: 7307.97, 0.00308379/step Wall: 7307.97, 0.00308379/step, 2.27926 hours remaining, 233.730469 MB of memory in use. ENERGY: 2339200 4072.1641 20474.5889 14517.1610 241.2674 -202834.8762 2435.2643 0.0000 0.0000 52127.4730 -108966.9576 299.5773 -161094.4306 -108608.7025 299.7468 -4.8079 29.3437 762849.5778 -12.5138 -12.4890 PRESSURE: 2339400 2.25336 128.628 100.734 128.628 109.464 -74.1504 100.733 -74.151 415.218 GPRESSURE: 2339400 101.381 85.6615 67.9805 16.1547 68.8113 -57.5851 84.6176 -33.8654 437.963 PRESSAVG: 2339400 -22.9557 27.4243 14.7022 27.4243 25.5225 12.5076 14.7022 12.5076 2.52351 GPRESSAVG: 2339400 -21.7805 28.1345 16.1094 26.8505 24.6165 10.8174 16.7022 11.1422 2.80322 TIMING: 2339400 CPU: 7308.59, 0.00309196/step Wall: 7308.59, 0.00309196/step, 2.28513 hours remaining, 233.730469 MB of memory in use. ENERGY: 2339400 3986.6905 20564.4434 14477.7769 249.0038 -203054.1369 2746.5896 0.0000 0.0000 51999.6318 -109030.0008 298.8426 -161029.6327 -108674.5508 300.1184 175.6450 202.7184 761990.2877 1.6968 1.8798 PRESSURE: 2339600 96.9967 -132.025 -165.831 -132.025 -55.55 194.993 -165.831 194.993 -87.0173 GPRESSURE: 2339600 -2.60329 -98.5772 -227.385 -79.1922 144.587 282.883 -100.181 220.779 -101.269 PRESSAVG: 2339600 -0.684366 34.7299 -38.0497 34.7301 9.48525 -0.223759 -38.0496 -0.223706 -7.44071 GPRESSAVG: 2339600 -0.667927 34.4842 -38.5278 35.7462 10.9678 0.965204 -38.703 -0.20978 -9.57166 TIMING: 2339600 CPU: 7309.21, 0.00310166/step Wall: 7309.21, 0.00310166/step, 2.29213 hours remaining, 233.730469 MB of memory in use. ENERGY: 2339600 3969.4240 20427.4940 14529.5603 242.1165 -203190.9571 2669.0357 0.0000 0.0000 52441.5441 -108911.7826 301.3823 -161353.3266 -108540.0335 300.0704 -15.1902 13.5713 761880.4241 0.4534 0.2428 PRESSURE: 2339800 212.897 -68.9449 23.425 -68.9441 292.926 58.198 23.4249 58.199 -306.502 GPRESSURE: 2339800 224.196 -19.1865 -6.49185 -57.2514 223.728 188.745 14.5049 69.8713 -158.353 PRESSAVG: 2339800 -15.3416 13.8741 -3.16021 13.8741 -5.89091 1.6621 -3.16017 1.66214 -8.12248 GPRESSAVG: 2339800 -16.7242 15.1477 -5.11447 12.9446 -7.2345 0.695536 -1.7735 3.23728 -6.1518 TIMING: 2339800 CPU: 7309.83, 0.00309962/step Wall: 7309.83, 0.00309962/step, 2.29045 hours remaining, 233.730469 MB of memory in use. ENERGY: 2339800 4034.6872 20621.5646 14438.1087 236.3622 -203342.3888 2859.1620 0.0000 0.0000 52161.2183 -108991.2858 299.7712 -161152.5041 -108623.1231 300.2908 66.4404 96.5238 761835.0757 -9.7850 -10.0368 PRESSURE: 2340000 -239.026 96.2475 -115.496 96.2474 -139.917 -267.421 -115.495 -267.421 -168.042 GPRESSURE: 2340000 -279.748 18.7749 -140.678 20.3462 -92.2931 -431.362 -32.8069 -107.117 -83.0253 PRESSAVG: 2340000 -39.4425 34.4802 -4.45078 34.4802 47.6714 42.7612 -4.45077 42.7612 14.5862 GPRESSAVG: 2340000 -37.9372 32.5409 -4.08568 34.4134 46.8397 41.4341 -5.61042 42.9144 13.5757 TIMING: 2340000 CPU: 7310.45, 0.00309172/step Wall: 7310.45, 0.00309172/step, 2.28444 hours remaining, 233.730469 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: 2340000 4003.8836 20545.5587 14415.5006 235.7933 -203031.9720 2460.2046 0.0000 0.0000 52215.7294 -109155.3017 300.0845 -161371.0311 -108789.7061 300.2588 -182.3281 -151.6886 761882.0010 7.6050 7.4927 PRESSURE: 2340200 296.856 14.7273 -148.469 14.7275 -29.0794 369.164 -148.469 369.165 -68.7134 GPRESSURE: 2340200 326.122 59.8927 -138.967 -0.524923 94.4467 366.572 -171.408 342.597 -115.76 PRESSAVG: 2340200 35.648 -2.64106 -3.65975 -2.64097 -14.0662 13.9568 -3.6598 13.9567 -25.169 GPRESSAVG: 2340200 34.7753 -1.56159 -3.93879 -3.03577 -13.041 14.9129 -3.13341 14.3757 -25.1858 TIMING: 2340200 CPU: 7311.06, 0.003091/step Wall: 7311.06, 0.003091/step, 2.28374 hours remaining, 233.730469 MB of memory in use. ENERGY: 2340200 4023.1137 20568.9115 14360.0836 250.6915 -203184.1387 2830.1330 0.0000 0.0000 52132.4891 -109018.7163 299.6061 -161151.2055 -108664.5457 300.0510 66.3544 101.6029 760499.8378 -1.1957 -1.1505 LDB: ============= START OF LOAD BALANCING ============== 7323.54 LDB: ============== END OF LOAD BALANCING =============== 7323.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7323.54 LDB: ============= START OF LOAD BALANCING ============== 7323.85 LDB: Largest compute 7078 load 0.033559 is 17.2% of average load 0.195150 LDB: Average compute 0.004386 is 2.2% of average load 0.195150 LDB: TIME 7323.86 LOAD: AVG 0.19515 MAX 0.215502 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.73 MB LDB: TIME 7323.86 LOAD: AVG 0.19515 MAX 0.215502 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.93 MB LDB: TIME 7323.86 LOAD: AVG 0.19515 MAX 0.215502 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.93 MB LDB: ============== END OF LOAD BALANCING =============== 7323.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7323.86 PRESSURE: 2340400 154.265 77.2694 121.168 77.2685 -75.9849 -33.7616 121.169 -33.7609 -189.513 GPRESSURE: 2340400 73.6937 144.481 204.493 89.7731 37.8663 83.9951 -148.493 5.27441 -152.896 PRESSAVG: 2340400 44.8885 -32.7843 32.0729 -32.7843 -71.2881 46.8099 32.0728 46.81 14.7907 GPRESSAVG: 2340400 44.6135 -33.4055 34.6467 -32.8507 -71.8446 46.307 30.7031 44.8483 15.604 TIMING: 2340400 CPU: 7311.7, 0.00317572/step Wall: 7311.7, 0.00317571/step, 2.34615 hours remaining, 235.781250 MB of memory in use. ENERGY: 2340400 4079.6730 20621.5577 14440.3869 223.4511 -203000.0099 2563.1376 0.0000 0.0000 52139.0817 -108932.7219 299.6440 -161071.8036 -108579.5984 300.2529 -37.0777 -13.7788 762347.1235 -3.8696 -3.8757 PRESSURE: 2340600 100.641 -69.5826 -31.321 -69.5827 -1.20788 234.464 -31.3217 234.464 105.83 GPRESSURE: 2340600 81.992 -49.3212 -71.0031 -1.79625 133.824 187.736 -124.766 168.311 63.5001 PRESSAVG: 2340600 3.5401 3.46578 -4.53202 3.46573 -19.432 7.97828 -4.53195 7.97815 -22.8454 GPRESSAVG: 2340600 3.6169 3.19866 -4.33346 5.36226 -18.4434 8.785 -5.08782 8.25237 -24.0062 TIMING: 2340600 CPU: 7312.32, 0.00310546/step Wall: 7312.32, 0.00310546/step, 2.29407 hours remaining, 235.781250 MB of memory in use. ENERGY: 2340600 4025.8277 20543.1144 14418.9404 246.0053 -202959.8441 2782.6457 0.0000 0.0000 51918.5876 -109024.7229 298.3768 -160943.3106 -108666.1395 300.0167 68.4212 93.1053 763801.0439 -12.9124 -12.9442 PRESSURE: 2340800 -366.841 64.627 12.9383 64.6259 -148.985 216.154 12.9379 216.154 -689.859 GPRESSURE: 2340800 -348.414 44.0968 73.6959 -4.04459 -145.167 298.144 60.5568 92.5222 -617.65 PRESSAVG: 2340800 -8.55149 11.9687 -17.6421 11.9687 40.483 6.04326 -17.6421 6.04329 -25.8007 GPRESSAVG: 2340800 -8.6841 12.1884 -18.0225 11.1753 40.1648 6.31243 -16.5167 8.90972 -25.2352 TIMING: 2340800 CPU: 7312.94, 0.0031182/step Wall: 7312.94, 0.00311819/step, 2.30331 hours remaining, 235.781250 MB of memory in use. ENERGY: 2340800 3972.9428 20590.7849 14427.9288 280.6167 -202824.4322 2291.9390 0.0000 0.0000 52371.3177 -108888.9023 300.9787 -161260.2200 -108519.4014 299.6060 -401.8952 -370.4106 764209.1473 2.0436 2.0818 PRESSURE: 2341000 -419.018 -34.1106 -94.1499 -34.1113 -273.976 -97.3378 -94.149 -97.3387 61.3228 GPRESSURE: 2341000 -302.062 -84.9094 -131.615 9.13107 -271.776 -4.92249 -26.8342 -41.0403 30.7338 PRESSAVG: 2341000 -11.1106 26.9769 -9.01426 26.9769 -32.015 2.54279 -9.01427 2.54275 0.710843 GPRESSAVG: 2341000 -10.9574 27.3763 -10.7939 25.9874 -30.9149 2.10745 -9.30184 3.35629 -0.503612 TIMING: 2341000 CPU: 7313.56, 0.00310265/step Wall: 7313.56, 0.00310265/step, 2.29165 hours remaining, 235.781250 MB of memory in use. ENERGY: 2341000 3940.9896 20698.1244 14459.0790 246.5698 -202972.2432 2567.1810 0.0000 0.0000 52179.8950 -108880.4044 299.8786 -161060.2993 -108513.6216 299.9949 -210.5572 -181.0347 763941.5716 -14.1383 -14.1253 PRESSURE: 2341200 -7.14551 30.5734 -2.19229 30.5726 194.946 63.9064 -2.19214 63.9062 -167.802 GPRESSURE: 2341200 59.3032 -75.975 125.912 53.9144 187.44 15.158 52.3034 80.2332 -134.173 PRESSAVG: 2341200 -21.0396 30.3892 -19.3995 30.3892 -6.80367 29.0312 -19.3995 29.0312 17.0687 GPRESSAVG: 2341200 -19.9931 29.8153 -16.7032 32.5168 -8.7178 29.0473 -17.5122 27.1023 17.2443 TIMING: 2341200 CPU: 7314.19, 0.00312205/step Wall: 7314.19, 0.00312205/step, 2.30581 hours remaining, 235.781250 MB of memory in use. ENERGY: 2341200 3932.5118 20513.6622 14454.6657 253.1349 -203053.0655 2737.9096 0.0000 0.0000 52136.1114 -109025.0699 299.6269 -161161.1813 -108657.3317 299.6044 6.6661 37.5234 763778.4612 -3.5915 -3.8222 PRESSURE: 2341400 16.476 -12.4074 -222.551 -12.4082 131.159 27.953 -222.55 27.953 -3.86525 GPRESSURE: 2341400 80.1732 103.554 -272.772 31.3997 171.233 3.96755 -318.864 47.7759 -26.2075 PRESSAVG: 2341400 15.5815 11.3487 -5.30981 11.3487 -61.5452 10.3487 -5.30976 10.3486 12.8364 GPRESSAVG: 2341400 14.461 11.3782 -7.36249 11.0864 -61.0413 11.7596 -6.40232 11.3088 13.4177 TIMING: 2341400 CPU: 7314.81, 0.00311711/step Wall: 7314.81, 0.00311711/step, 2.30198 hours remaining, 235.781250 MB of memory in use. ENERGY: 2341400 3929.8189 20600.2841 14418.5161 242.1428 -203383.0948 3042.0520 0.0000 0.0000 52281.8691 -108868.4119 300.4646 -161150.2810 -108501.3929 299.7869 47.9232 75.0661 763646.5984 -11.0425 -11.0542 PRESSURE: 2341600 -110.485 -180.334 -11.6355 -180.335 154.919 -46.9284 -11.635 -46.9288 227.392 GPRESSURE: 2341600 -155.897 -130.76 47.8246 -32.5697 196.774 -2.64363 44.6666 -103.131 321.742 PRESSAVG: 2341600 15.8554 72.9653 2.79755 72.9653 -19.1319 25.4921 2.79748 25.4921 -9.21807 GPRESSAVG: 2341600 16.1981 75.044 3.54355 69.9039 -19.2077 23.3582 2.39406 26.2681 -9.55536 TIMING: 2341600 CPU: 7315.44, 0.0031272/step Wall: 7315.44, 0.0031272/step, 2.30927 hours remaining, 235.781250 MB of memory in use. ENERGY: 2341600 3971.1877 20570.6920 14424.6828 234.6332 -203266.6729 3081.7111 0.0000 0.0000 52065.1183 -108918.6479 299.2190 -160983.7662 -108561.0887 300.0099 90.6089 120.8730 764402.9572 -4.1649 -4.1883 PRESSURE: 2341800 -0.102317 214.079 -57.9479 214.078 -182.629 198.29 -57.9496 198.29 -409.13 GPRESSURE: 2341800 10.3759 316.288 3.98198 214.741 -133.764 114.357 -47.2276 173.2 -384.037 PRESSAVG: 2341800 24.4083 13.6728 -23.9296 13.6728 6.52118 22.0241 -23.9296 22.0241 -1.5474 GPRESSAVG: 2341800 22.5115 11.6016 -24.2007 15.1562 6.85238 22.0284 -22.0207 20.1224 0.134499 TIMING: 2341800 CPU: 7316.06, 0.00311223/step Wall: 7316.06, 0.00311223/step, 2.29804 hours remaining, 235.781250 MB of memory in use. ENERGY: 2341800 3964.3466 20608.0802 14495.5587 260.7036 -203103.2955 2610.8964 0.0000 0.0000 52204.1468 -108959.5631 300.0179 -161163.7100 -108596.0744 299.8230 -197.2870 -169.1419 764569.8837 9.7940 9.8328 PRESSURE: 2342000 160.962 114.124 -210.732 114.124 123.197 -250.221 -210.732 -250.221 582.47 GPRESSURE: 2342000 296.985 157.868 -249.062 50.7342 118.047 -317.896 -285.718 -260.425 541.773 PRESSAVG: 2342000 -3.41777 43.3649 -18.9214 43.3649 -12.8212 20.4696 -18.9213 20.4696 -10.5284 GPRESSAVG: 2342000 -1.25913 44.9617 -19.3996 43.279 -13.2741 21.17 -21.1054 19.4349 -12.1366 TIMING: 2342000 CPU: 7316.68, 0.00311478/step Wall: 7316.68, 0.00311478/step, 2.29975 hours remaining, 235.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2342000 3953.3400 20474.9816 14471.4705 265.3123 -203437.0032 3009.7942 0.0000 0.0000 52303.1895 -108958.9149 300.5871 -161262.1044 -108595.1000 300.0017 288.8762 318.9351 762257.5327 -8.9225 -8.8899 PRESSURE: 2342200 -142.839 152.605 11.34 152.606 85.0503 -9.89804 11.3395 -9.89754 -195.077 GPRESSURE: 2342200 -116.838 92.1505 32.2831 116.556 96.807 -101.083 161.438 45.8348 -168.972 PRESSAVG: 2342200 13.1625 -7.01068 -69.485 -7.01068 -3.81326 -49.1938 -69.485 -49.1937 27.9104 GPRESSAVG: 2342200 13.1403 -9.23016 -70.9372 -7.74496 -4.0176 -50.8634 -68.8218 -49.3865 27.7024 TIMING: 2342200 CPU: 7317.3, 0.00310862/step Wall: 7317.3, 0.00310862/step, 2.29502 hours remaining, 235.781250 MB of memory in use. ENERGY: 2342200 3909.5679 20516.3491 14344.4798 256.1860 -202966.9000 2772.4214 0.0000 0.0000 52231.5079 -108936.3879 300.1752 -161167.8958 -108560.9951 299.5680 -84.2888 -63.0010 764121.0037 12.4199 12.2750 PRESSURE: 2342400 161.096 -31.1618 -192.075 -31.1616 -93.9714 108.827 -192.076 108.827 -146.68 GPRESSURE: 2342400 275.709 -72.3463 -194.816 -169.337 -144.594 152.699 -26.7337 51.2949 -106.383 PRESSAVG: 2342400 26.8658 -9.96061 -33.9525 -9.96063 -71.3014 38.2593 -33.9524 38.2594 -25.1889 GPRESSAVG: 2342400 27.9729 -8.21896 -34.5033 -10.436 -72.377 36.4693 -33.2213 41.4101 -25.2869 TIMING: 2342400 CPU: 7317.93, 0.003128/step Wall: 7317.93, 0.003128/step, 2.30916 hours remaining, 235.781250 MB of memory in use. ENERGY: 2342400 3993.5282 20255.1924 14438.6179 248.1327 -202703.2770 2482.3714 0.0000 0.0000 52329.9591 -108955.4754 300.7410 -161285.4345 -108588.7033 299.9931 -26.5183 8.2441 762881.3561 -23.2082 -23.2303 PRESSURE: 2342600 65.0479 96.6804 -42.222 96.6813 -83.9427 -328.181 -42.2219 -328.181 290.597 GPRESSURE: 2342600 158.394 137.036 65.0522 158.891 -58.0295 -313.658 -221.206 -281.767 262.809 PRESSAVG: 2342600 17.3154 -16.819 -64.8425 -16.8191 5.05333 -27.0253 -64.8425 -27.0253 -5.2722 GPRESSAVG: 2342600 15.8237 -17.8858 -63.7724 -16.0559 6.59373 -24.8569 -64.6642 -28.5762 -5.01928 TIMING: 2342600 CPU: 7318.55, 0.00310647/step Wall: 7318.55, 0.00310647/step, 2.29309 hours remaining, 235.781250 MB of memory in use. ENERGY: 2342600 4003.9850 20437.4736 14499.6583 251.4745 -203129.9721 2975.5809 0.0000 0.0000 52151.0761 -108810.7236 299.7130 -160961.7997 -108450.0423 299.9677 90.5673 121.0580 760813.9507 5.6988 5.7994 PRESSURE: 2342800 267.663 -217.458 -52.4118 -217.457 45.0794 89.1213 -52.4122 89.1215 294.131 GPRESSURE: 2342800 235.046 -124.518 -14.2746 -340.732 104.524 108.078 -131.997 61.593 374.09 PRESSAVG: 2342800 45.5551 -47.1976 -16.6888 -47.1976 15.835 -22.4688 -16.6888 -22.4688 43.0164 GPRESSAVG: 2342800 46.3531 -46.3571 -17.2076 -48.0622 14.4642 -22.3909 -18.8658 -22.2045 43.2989 TIMING: 2342800 CPU: 7319.17, 0.00309829/step Wall: 7319.17, 0.00309829/step, 2.28688 hours remaining, 235.781250 MB of memory in use. ENERGY: 2342800 4018.6750 20510.9646 14392.2910 249.8715 -203676.9318 3307.0235 0.0000 0.0000 52376.7245 -108821.3817 301.0098 -161198.1062 -108463.9352 300.1373 202.2911 237.8869 761603.2606 34.8022 34.7054 PRESSURE: 2343000 90.8461 168.075 -22.4207 168.075 -126.695 49.4309 -22.4204 49.4317 484.541 GPRESSURE: 2343000 133.947 171.827 9.98252 57.6069 -9.39494 20.2974 -54.645 2.95369 414.147 PRESSAVG: 2343000 22.5952 46.8768 -47.5658 46.8768 -6.70378 43.4046 -47.5658 43.4046 -6.64088 GPRESSAVG: 2343000 21.7683 46.2169 -46.4806 46.4417 -4.82426 41.2106 -47.8776 45.9371 -7.35726 TIMING: 2343000 CPU: 7319.79, 0.0031129/step Wall: 7319.79, 0.0031129/step, 2.29749 hours remaining, 235.781250 MB of memory in use. ENERGY: 2343000 3907.0980 20630.0018 14456.9382 269.3115 -203370.1002 2903.7618 0.0000 0.0000 52421.4255 -108781.5633 301.2667 -161202.9888 -108417.0361 300.2073 149.5640 179.5662 762713.1593 3.0835 3.1956 PRESSURE: 2343200 -113.026 18.3939 -144.951 18.394 16.6166 79.8587 -144.952 79.8587 61.5041 GPRESSURE: 2343200 -47.7147 -89.7979 -94.3885 91.6678 -22.6317 45.5147 -95.7565 59.5919 105.427 PRESSAVG: 2343200 30.9327 -18.3722 1.3478 -18.3722 -4.23205 26.8394 1.34775 26.8395 6.48803 GPRESSAVG: 2343200 31.0581 -18.1443 2.1629 -16.4397 -5.33555 29.5481 2.75712 22.2939 7.29188 TIMING: 2343200 CPU: 7320.42, 0.00310805/step Wall: 7320.42, 0.00310805/step, 2.29374 hours remaining, 235.781250 MB of memory in use. ENERGY: 2343200 3961.3646 20695.5111 14419.1628 248.1210 -202935.5805 2719.6213 0.0000 0.0000 52125.2553 -108766.5444 299.5646 -160891.7997 -108406.8408 300.0768 -11.6352 11.6936 762783.5208 11.0629 11.0048 PRESSURE: 2343400 -29.6622 133.677 92.7175 133.678 426.666 -134.018 92.7174 -134.018 104.502 GPRESSURE: 2343400 4.70192 145.316 131.489 134.693 429.817 -238.935 46.671 5.20754 144.359 PRESSAVG: 2343400 -36.5704 -27.6926 67.1949 -27.6925 10.5133 -9.54551 67.1949 -9.54549 14.2396 GPRESSAVG: 2343400 -35.234 -28.6115 65.4409 -29.3675 10.6999 -8.67128 68.1998 -8.85918 12.6366 TIMING: 2343400 CPU: 7321.03, 0.00309606/step Wall: 7321.03, 0.00309606/step, 2.28472 hours remaining, 235.781250 MB of memory in use. ENERGY: 2343400 3888.6780 20401.4267 14439.1593 232.4050 -203037.1776 2781.4149 0.0000 0.0000 52326.3497 -108967.7440 300.7203 -161294.0937 -108593.6359 300.3648 167.1684 192.9594 765143.9898 -3.9392 -3.9658 PRESSURE: 2343600 -43.7369 -90.5273 -149.97 -90.5277 -122.796 135.691 -149.971 135.69 -154.494 GPRESSURE: 2343600 -27.8454 -76.1196 -172.554 -121.207 -150.076 219.841 -201.78 164.223 -71.1255 PRESSAVG: 2343600 1.90545 28.1717 -14.3706 28.1717 1.70586 25.592 -14.3706 25.5921 9.34832 GPRESSAVG: 2343600 1.4915 30.6727 -14.4847 28.0621 2.32765 25.2275 -14.7262 27.4484 9.73791 TIMING: 2343600 CPU: 7321.66, 0.00311509/step Wall: 7321.66, 0.00311509/step, 2.29859 hours remaining, 235.781250 MB of memory in use. ENERGY: 2343600 4057.5327 20432.8543 14466.8949 242.0275 -202890.5470 2492.4970 0.0000 0.0000 52359.4555 -108839.2851 300.9105 -161198.7406 -108461.0305 300.3574 -107.0090 -83.0158 763770.6809 4.3199 4.5190 PRESSURE: 2343800 -116.562 80.2411 -74.9402 80.2408 -91.6001 30.5583 -74.94 30.5592 -192.387 GPRESSURE: 2343800 -85.0133 57.3786 -21.7206 86.2007 -91.2148 -11.5446 -98.6525 151.18 -142.321 PRESSAVG: 2343800 -38.0402 43.52 -52.1959 43.5199 80.9258 -14.2412 -52.1958 -14.2411 13.7942 GPRESSAVG: 2343800 -38.6855 44.5596 -52.482 44.1381 79.9906 -14.6677 -51.3018 -13.8567 15.5578 TIMING: 2343800 CPU: 7322.28, 0.00310851/step Wall: 7322.28, 0.00310851/step, 2.29356 hours remaining, 235.781250 MB of memory in use. ENERGY: 2343800 4033.4789 20482.0545 14425.1302 250.0502 -202873.0334 2700.4745 0.0000 0.0000 52200.5670 -108781.2782 299.9974 -160981.8452 -108426.2766 299.7357 -133.5164 -106.1829 763615.4018 18.8933 18.9543 PRESSURE: 2344000 -93.9187 -51.5716 -202.096 -51.5709 104.375 77.735 -202.096 77.7349 196.748 GPRESSURE: 2344000 -3.41252 -54.8522 -164.559 -53.8457 85.5679 84.3123 -212.89 76.9202 221.141 PRESSAVG: 2344000 -11.2344 22.794 -37.372 22.794 -23.9581 -34.5451 -37.372 -34.5452 -4.44177 GPRESSAVG: 2344000 -10.7908 21.0542 -37.8604 21.079 -23.3098 -35.6389 -40.4613 -35.4911 -6.0803 TIMING: 2344000 CPU: 7322.9, 0.00310132/step Wall: 7322.9, 0.00310132/step, 2.28808 hours remaining, 235.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2344000 4026.7912 20546.3035 14366.7169 219.7854 -202930.4669 2828.0214 0.0000 0.0000 51991.6635 -108951.1850 298.7968 -160942.8485 -108590.5523 300.0459 69.0683 101.0988 764491.7662 -13.2114 -13.3936 PRESSURE: 2344200 215.879 -214.312 -158.673 -214.313 -303.132 -80.0723 -158.674 -80.0723 -2.74083 GPRESSURE: 2344200 274.021 -163.852 -237.892 -206.832 -262.671 -48.3045 -62.8292 -150.127 -4.08773 PRESSAVG: 2344200 54.5909 -5.93469 25.9319 -5.93471 -32.7026 -16.2201 25.9319 -16.2203 1.09476 GPRESSAVG: 2344200 53.9841 -7.9252 26.3374 -4.73904 -32.6004 -16.0534 30.2389 -16.8019 1.28289 TIMING: 2344200 CPU: 7323.52, 0.00312056/step Wall: 7323.52, 0.00312056/step, 2.3021 hours remaining, 235.781250 MB of memory in use. ENERGY: 2344200 3986.9457 20589.2962 14407.3617 256.9350 -203450.4925 2692.8908 0.0000 0.0000 52264.6576 -109252.4056 300.3657 -161517.0632 -108887.9822 299.6783 -29.9977 2.4206 763198.1307 7.6610 7.5555 LDB: ============= START OF LOAD BALANCING ============== 7336 LDB: ============== END OF LOAD BALANCING =============== 7336 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7336 LDB: ============= START OF LOAD BALANCING ============== 7336.32 LDB: Largest compute 7078 load 0.033269 is 17.1% of average load 0.195085 LDB: Average compute 0.004399 is 2.3% of average load 0.195085 LDB: TIME 7336.32 LOAD: AVG 0.195085 MAX 0.216423 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.945 MB LDB: TIME 7336.32 LOAD: AVG 0.195085 MAX 0.216423 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.945 MB LDB: TIME 7336.32 LOAD: AVG 0.195085 MAX 0.216423 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.945 MB LDB: ============== END OF LOAD BALANCING =============== 7336.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7336.33 PRESSURE: 2344400 -181.272 70.411 -97.7494 70.4106 56.5013 -160.691 -97.7494 -160.691 -18.6278 GPRESSURE: 2344400 -90.6528 17.5561 -33.7024 118.177 92.6055 -230.938 -128.391 -158.848 -48.1349 PRESSAVG: 2344400 -1.52944 16.2791 -15.024 16.2791 12.4254 -45.8775 -15.0239 -45.8774 -4.59221 GPRESSAVG: 2344400 -0.898773 16.7777 -13.8898 18.1959 11.9484 -44.7023 -18.1987 -47.6635 -4.89436 TIMING: 2344400 CPU: 7324.16, 0.00318478/step Wall: 7324.16, 0.00318478/step, 2.3493 hours remaining, 234.750000 MB of memory in use. ENERGY: 2344400 3892.8169 20416.3855 14367.1706 244.2032 -203199.4459 2795.5013 0.0000 0.0000 52155.1607 -109328.2077 299.7364 -161483.3684 -108957.1752 299.4215 -47.7993 -15.3941 762970.3482 2.1012 2.0517 PRESSURE: 2344600 -260.42 -133.729 -229.619 -133.729 -192.151 98.6621 -229.62 98.6621 -51.3852 GPRESSURE: 2344600 -255.89 -57.8613 -226.806 -84.3849 -49.9949 144.491 -122.857 112.883 -103.598 PRESSAVG: 2344600 -1.36616 -6.61448 -8.9846 -6.61439 -14.4951 -44.6773 -8.98464 -44.6773 17.2469 GPRESSAVG: 2344600 -2.56199 -4.49462 -10.5126 -7.62502 -14.2403 -43.8584 -8.08652 -43.8195 18.2216 TIMING: 2344600 CPU: 7324.78, 0.00311181/step Wall: 7324.78, 0.00311181/step, 2.29531 hours remaining, 234.750000 MB of memory in use. ENERGY: 2344600 3933.3070 20631.0022 14400.0609 238.3140 -203184.2411 2917.8763 0.0000 0.0000 51763.9103 -109299.7706 297.4879 -161063.6808 -108940.2105 299.1327 -167.9855 -136.4941 764219.2522 0.4619 0.4731 PRESSURE: 2344800 -131.85 284.392 58.6088 284.393 -207.713 -64.9476 58.6084 -64.9483 -233.1 GPRESSURE: 2344800 -195.234 131.843 12.3535 291.311 -126.382 -22.4697 -103.001 -46.1101 -188.043 PRESSAVG: 2344800 -58.2534 19.9813 -40.8844 19.9813 29.316 -40.9224 -40.8845 -40.9225 -45.5368 GPRESSAVG: 2344800 -57.1883 18.552 -38.3454 17.9188 29.7739 -42.2874 -40.9638 -39.5389 -46.6908 TIMING: 2344800 CPU: 7325.41, 0.00311432/step Wall: 7325.41, 0.00311432/step, 2.29699 hours remaining, 234.750000 MB of memory in use. ENERGY: 2344800 3951.6990 20368.6816 14462.5727 239.6372 -202918.9398 2500.5178 0.0000 0.0000 52161.7434 -109234.0881 299.7743 -161395.8315 -108859.4127 298.6532 -190.8876 -169.8866 763569.5063 -24.8247 -24.7017 PRESSURE: 2345000 180.784 3.59488 49.4218 3.59655 -337.346 0.40451 49.4222 0.403639 -114.84 GPRESSURE: 2345000 126.815 26.6072 90.4876 61.1179 -195.361 21.3368 -94.2377 68.7835 -142.317 PRESSAVG: 2345000 24.1774 26.6835 4.93912 26.6835 -20.931 1.98386 4.9391 1.98385 14.3781 GPRESSAVG: 2345000 24.8185 27.028 2.57375 27.9652 -21.436 1.94112 4.13487 1.9208 14.1528 TIMING: 2345000 CPU: 7326.03, 0.00311434/step Wall: 7326.03, 0.00311434/step, 2.29683 hours remaining, 234.750000 MB of memory in use. ENERGY: 2345000 3972.0129 20467.7177 14506.8799 243.8824 -202914.9744 2703.9324 0.0000 0.0000 51873.6423 -109146.9069 298.1185 -161020.5492 -108789.6217 298.7577 -90.4673 -70.2879 764746.9838 5.8749 5.8451 PRESSURE: 2345200 -42.021 118.362 90.9944 118.363 144.106 104.833 90.9937 104.831 -225.562 GPRESSURE: 2345200 -19.6074 63.0861 72.04 208.082 122.598 93.7863 171.462 92.0428 -136.853 PRESSAVG: 2345200 -11.2204 -18.4116 -41.6411 -18.4117 -3.7123 -17.5043 -41.6411 -17.5043 -2.79015 GPRESSAVG: 2345200 -14.3784 -19.008 -41.3238 -17.4647 -2.93454 -16.3098 -42.9007 -18.3241 -0.283274 TIMING: 2345200 CPU: 7326.65, 0.00312429/step Wall: 7326.65, 0.00312429/step, 2.30399 hours remaining, 234.750000 MB of memory in use. ENERGY: 2345200 3974.5181 20339.7741 14474.2542 253.7754 -203184.9097 2764.6370 0.0000 0.0000 52185.6340 -109192.3169 299.9116 -161377.9509 -108828.3529 299.4118 -41.1590 -11.2876 762743.5643 -5.9076 -5.8654 PRESSURE: 2345400 -174.574 88.1367 -34.5586 88.1368 332.826 -58.756 -34.5587 -58.7564 22.937 GPRESSURE: 2345400 -56.1084 14.5699 -23.0765 155.748 344.524 -31.5256 -175.212 100.788 -28.3249 PRESSAVG: 2345400 -1.69811 2.22379 -27.6596 2.22377 73.1584 45.6602 -27.6596 45.6603 1.97563 GPRESSAVG: 2345400 -0.93066 1.92491 -28.035 1.6609 72.7615 44.531 -27.8906 46.6517 1.20212 TIMING: 2345400 CPU: 7327.28, 0.00311356/step Wall: 7327.28, 0.00311356/step, 2.2959 hours remaining, 234.750000 MB of memory in use. ENERGY: 2345400 4000.7404 20313.3304 14445.2471 234.2683 -203598.1649 2960.3028 0.0000 0.0000 52460.6874 -109183.5886 301.4923 -161644.2759 -108811.7415 299.3220 60.3965 86.6968 761723.5725 24.4786 24.3443 PRESSURE: 2345600 231.335 -53.949 -43.8396 -53.9493 83.1242 -93.6121 -43.8395 -93.6121 295.557 GPRESSURE: 2345600 279.392 102.71 -24.9822 -120.165 76.3682 -48.1749 -115.259 -35.6663 335.408 PRESSAVG: 2345600 31.7736 -6.23387 23.381 -6.23395 -13.318 0.392104 23.381 0.39215 23.2403 GPRESSAVG: 2345600 32.1913 -6.63643 22.6618 -6.54244 -13.4716 0.0832692 25.4227 0.18007 23.5653 TIMING: 2345600 CPU: 7327.9, 0.00310562/step Wall: 7327.9, 0.00310562/step, 2.28988 hours remaining, 234.750000 MB of memory in use. ENERGY: 2345600 3981.4076 20547.3763 14437.1651 251.9158 -203279.1629 2992.1380 0.0000 0.0000 51868.0545 -109201.1055 298.0864 -161069.1600 -108830.4871 299.4615 203.3386 230.3893 762470.1090 13.8986 14.0950 PRESSURE: 2345800 106.246 -37.7307 119.49 -37.7307 -198.34 211.067 119.49 211.068 -271.49 GPRESSURE: 2345800 177.006 -88.0059 117.084 -114.898 -183.261 143.002 169.379 310.188 -270.513 PRESSAVG: 2345800 6.79744 -41.5161 -4.24898 -41.5161 24.8525 5.55115 -4.24898 5.55116 8.31656 GPRESSAVG: 2345800 7.99181 -40.2737 -4.002 -40.6053 24.5685 5.04321 -3.19389 6.81327 7.48458 TIMING: 2345800 CPU: 7328.52, 0.00310977/step Wall: 7328.52, 0.00310977/step, 2.29277 hours remaining, 234.750000 MB of memory in use. ENERGY: 2345800 3940.0767 20533.0895 14454.3786 242.3077 -203053.3878 2539.9615 0.0000 0.0000 52142.2737 -109201.3002 299.6624 -161343.5738 -108836.5258 299.2589 -121.1948 -92.2561 762654.4313 13.3222 13.3483 PRESSURE: 2346000 43.6542 -1.0182 -27.5851 -1.01856 -249.698 -243.745 -27.5854 -243.744 -209.224 GPRESSURE: 2346000 65.2705 9.85349 -28.8057 -61.7538 -178.371 -131.825 -126.449 -161.011 -209.374 PRESSAVG: 2346000 51.0758 -67.6305 -41.0786 -67.6305 -9.29796 -26.8021 -41.0786 -26.8021 -10.4007 GPRESSAVG: 2346000 50.5059 -66.5685 -38.9088 -69.9716 -9.64664 -26.3663 -43.0524 -25.5269 -9.80943 TIMING: 2346000 CPU: 7329.14, 0.00312343/step Wall: 7329.14, 0.00312343/step, 2.30267 hours remaining, 234.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2346000 4022.5501 20403.2353 14359.3306 264.5523 -202682.2732 2442.4867 0.0000 0.0000 51908.3566 -109281.7616 298.3180 -161190.1182 -108927.9018 298.9259 -138.4224 -107.4916 763764.8514 10.4590 10.3500 PRESSURE: 2346200 -16.4512 40.4615 84.3939 40.4614 13.7506 59.9142 84.394 59.9141 64.319 GPRESSURE: 2346200 32.7337 50.8278 52.0252 138.284 16.0428 59.325 46.5198 -43.6847 107.519 PRESSAVG: 2346200 -63.4059 12.9429 0.32465 12.9428 2.49126 -28.195 0.324656 -28.1949 -3.04945 GPRESSAVG: 2346200 -63.9721 11.388 -0.779091 15.0977 3.56407 -29.5975 -0.505459 -30.607 -3.70482 TIMING: 2346200 CPU: 7329.77, 0.00310813/step Wall: 7329.77, 0.00310813/step, 2.29121 hours remaining, 234.750000 MB of memory in use. ENERGY: 2346200 4030.0757 20380.0130 14434.9902 232.7189 -203080.5852 2720.3938 0.0000 0.0000 52083.9878 -109198.4059 299.3274 -161282.3937 -108848.2647 299.1946 20.5395 52.0985 763347.4556 -21.3214 -21.3709 PRESSURE: 2346400 -102.278 7.03001 -43.0806 7.02997 -211.198 148.51 -43.0813 148.51 -66.3425 GPRESSURE: 2346400 -118.192 -32.2375 -86.0708 22.3918 -151.915 193.555 41.1422 68.788 -27.3832 PRESSAVG: 2346400 -9.71438 -36.2946 13.4354 -36.2945 12.1014 -22.6452 13.4353 -22.6452 20.4647 GPRESSAVG: 2346400 -10.9421 -36.8394 14.5098 -36.0319 12.3784 -20.8146 15.0356 -22.0587 21.3222 TIMING: 2346400 CPU: 7330.39, 0.00311009/step Wall: 7330.39, 0.00311009/step, 2.29248 hours remaining, 234.750000 MB of memory in use. ENERGY: 2346400 3956.8900 20493.6222 14447.9897 247.4102 -203035.4974 2663.3744 0.0000 0.0000 52173.5343 -109052.6766 299.8420 -161226.2109 -108685.2807 299.2641 -126.6061 -99.1633 762191.9710 7.6172 7.5862 PRESSURE: 2346600 4.36084 -13.8363 171.522 -13.8362 -73.9817 -58.1231 171.522 -58.1218 332.683 GPRESSURE: 2346600 136.752 12.0634 168.177 -9.40118 -69.8858 38.644 312.49 -44.8374 270.957 PRESSAVG: 2346600 30.579 -2.31939 12.9151 -2.31934 1.80337 47.5608 12.915 47.5609 -5.44301 GPRESSAVG: 2346600 32.274 -2.49435 11.3542 -3.84423 1.88078 46.127 15.2018 46.9343 -7.28735 TIMING: 2346600 CPU: 7331.01, 0.00310432/step Wall: 7331.01, 0.00310432/step, 2.28805 hours remaining, 234.750000 MB of memory in use. ENERGY: 2346600 4031.1329 20506.4613 14370.1683 258.8940 -202770.8275 3143.6305 0.0000 0.0000 51652.3771 -108808.1633 296.8469 -160460.5405 -108460.9242 299.8102 87.6875 112.6078 764322.0348 8.9798 8.9558 PRESSURE: 2346800 -326.913 120.659 188.998 120.658 169.865 55.5789 188.998 55.5797 20.6962 GPRESSURE: 2346800 -250.982 156.957 203.996 70.2276 123.692 -58.9166 159.663 33.4738 75.5864 PRESSAVG: 2346800 25.4472 9.91445 -9.4566 9.9144 -42.1546 -6.77657 -9.45661 -6.77651 -14.3699 GPRESSAVG: 2346800 25.6013 9.57742 -8.60346 11.9879 -43.7714 -7.02547 -11.1185 -5.50143 -13.128 TIMING: 2346800 CPU: 7331.63, 0.00310895/step Wall: 7331.63, 0.00310895/step, 2.2913 hours remaining, 234.750000 MB of memory in use. ENERGY: 2346800 4002.3075 20537.4360 14384.2930 248.1631 -202728.9982 2422.0853 0.0000 0.0000 52159.7417 -108974.9716 299.7628 -161134.7133 -108623.3067 300.1412 -45.4508 -17.2346 762087.5799 -10.3591 -10.4327 PRESSURE: 2347000 -35.0666 -82.2185 -106.325 -82.2178 -293.601 31.7773 -106.325 31.7773 -35.6625 GPRESSURE: 2347000 46.3572 -1.98431 -61.8826 -74.6431 -274.799 60.2977 -109.273 72.3901 -63.8885 PRESSAVG: 2347000 -10.8985 27.3154 -23.6393 27.3154 4.82317 11.516 -23.6393 11.5161 9.11149 GPRESSAVG: 2347000 -11.2715 29.3601 -23.7205 25.4257 5.79328 12.8912 -24.6534 8.92003 8.2981 TIMING: 2347000 CPU: 7332.25, 0.00312048/step Wall: 7332.25, 0.00312048/step, 2.29962 hours remaining, 234.750000 MB of memory in use. ENERGY: 2347000 3871.2693 20331.5433 14358.7658 240.7480 -202539.6906 2466.8205 0.0000 0.0000 52025.5853 -109244.9583 298.9918 -161270.5436 -108877.2879 299.0934 -121.4435 -97.4435 764103.5314 1.0120 0.9400 PRESSURE: 2347200 -83.8373 -136.758 105.766 -136.758 -486.87 -100.99 105.767 -100.99 12.0189 GPRESSURE: 2347200 -79.0979 -146.999 215.473 -77.5352 -411.928 -119.891 103.525 -195.871 14.8446 PRESSAVG: 2347200 19.5251 -45.7139 60.4058 -45.7138 -38.5247 -27.3518 60.4059 -27.3518 -1.38481 GPRESSAVG: 2347200 18.9455 -44.8521 60.1327 -45.7793 -37.6663 -25.6533 61.2479 -27.0435 -1.31396 TIMING: 2347200 CPU: 7332.88, 0.00313092/step Wall: 7332.88, 0.00313092/step, 2.30714 hours remaining, 234.750000 MB of memory in use. ENERGY: 2347200 3968.9343 20489.3395 14385.8865 243.2462 -202677.9278 2420.1557 0.0000 0.0000 51914.5556 -109255.8101 298.3537 -161170.3657 -108895.8703 299.2022 -186.2293 -158.7272 763431.1420 -6.7948 -6.6783 PRESSURE: 2347400 -9.16013 -87.4438 -41.2926 -87.4438 60.8937 -170.86 -41.2933 -170.859 135.915 GPRESSURE: 2347400 -19.8201 -94.4422 -87.3702 -166.839 112.141 -180.668 -75.3192 -130.774 166.239 PRESSAVG: 2347400 10.1916 -27.7266 -5.80489 -27.7266 -10.5533 -12.6793 -5.80485 -12.6792 -8.60191 GPRESSAVG: 2347400 11.386 -28.4131 -5.29163 -29.068 -11.4628 -13.5247 -4.33592 -11.1796 -9.11124 TIMING: 2347400 CPU: 7333.51, 0.00312894/step Wall: 7333.51, 0.00312894/step, 2.30551 hours remaining, 234.750000 MB of memory in use. ENERGY: 2347400 3940.6303 20464.5006 14384.2528 262.7220 -202887.8320 2508.7774 0.0000 0.0000 52080.4171 -109246.5318 299.3069 -161326.9489 -108892.9147 299.2364 62.5496 86.1867 762218.8492 -2.9879 -3.0627 PRESSURE: 2347600 141.452 121.819 38.9352 121.819 -69.0108 -287.717 38.9349 -287.716 183.221 GPRESSURE: 2347600 124.717 86.6751 -2.22889 149.216 26.8851 -276.432 -28.7816 -270.658 184.282 PRESSAVG: 2347600 7.4904 -19.6657 27.0375 -19.6657 10.6807 -0.788222 27.0376 -0.788205 5.60989 GPRESSAVG: 2347600 5.77133 -21.2097 27.1663 -19.566 11.1131 -0.596388 26.0166 -2.36371 6.65034 TIMING: 2347600 CPU: 7334.13, 0.00312497/step Wall: 7334.13, 0.00312497/step, 2.30241 hours remaining, 234.750000 MB of memory in use. ENERGY: 2347600 3939.5320 20298.6154 14397.1996 273.9253 -203234.5606 2794.8898 0.0000 0.0000 52083.3176 -109447.0809 299.3235 -161530.3985 -109085.2177 298.7608 85.2206 111.9615 764019.9638 7.9270 7.8449 PRESSURE: 2347800 -271.135 -21.1956 155.085 -21.1963 -95.2041 14.2693 155.084 14.2684 20.2864 GPRESSURE: 2347800 -110.542 -81.2072 146.867 68.3465 -194.194 -9.36405 348.53 124.841 44.1815 PRESSAVG: 2347800 14.3799 -16.7071 10.6623 -16.7071 -16.6729 49.954 10.6623 49.954 -3.07254 GPRESSAVG: 2347800 15.226 -16.0503 10.8732 -16.4798 -17.19 49.7541 10.7484 51.2627 -3.17399 TIMING: 2347800 CPU: 7334.76, 0.00314173/step Wall: 7334.76, 0.00314173/step, 2.31458 hours remaining, 234.750000 MB of memory in use. ENERGY: 2347800 3908.7136 20341.0773 14450.8913 270.7480 -203118.1858 2725.5291 0.0000 0.0000 51817.5410 -109603.6855 297.7961 -161421.2265 -109248.8857 298.4433 -115.3509 -86.8515 765115.1287 -1.7885 -1.7127 PRESSURE: 2348000 157.154 -87.695 -240.935 -87.6949 -194.861 -76.6779 -240.935 -76.6783 27.4881 GPRESSURE: 2348000 127.628 14.1751 -231.181 -73.2918 -147.181 -67.5587 -336.16 -75.1561 79.1541 PRESSAVG: 2348000 15.0242 0.251069 -34.9515 0.25111 -35.2113 -9.17414 -34.9515 -9.17415 1.13271 GPRESSAVG: 2348000 15.1132 2.05504 -35.017 0.842593 -33.3414 -9.04062 -34.4155 -9.00381 -0.128162 TIMING: 2348000 CPU: 7335.39, 0.0031458/step Wall: 7335.39, 0.0031458/step, 2.3174 hours remaining, 234.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2348000 4115.0018 20382.1509 14419.9373 239.3027 -203250.6048 2770.5536 0.0000 0.0000 51690.0535 -109633.6051 297.0634 -161323.6585 -109276.6316 298.2311 -3.4064 19.8670 763133.6452 -6.3515 -6.1188 PRESSURE: 2348200 97.7967 276.354 161.021 276.354 -369.479 107.478 161.021 107.477 16.6215 GPRESSURE: 2348200 27.6511 133.15 115.83 112.798 -258 75.3116 154.368 14.9819 39.7574 PRESSAVG: 2348200 85.1906 -40.644 -16.295 -40.644 -90.3649 -43.4162 -16.295 -43.4163 -4.17382 GPRESSAVG: 2348200 84.4858 -44.1941 -17.243 -41.1997 -91.1185 -44.8975 -17.2965 -42.742 -2.41227 TIMING: 2348200 CPU: 7336.01, 0.00310627/step Wall: 7336.01, 0.00310627/step, 2.28812 hours remaining, 234.750000 MB of memory in use. ENERGY: 2348200 3963.5903 20352.9425 14399.6351 263.2876 -203470.2816 2890.2337 0.0000 0.0000 52042.7188 -109557.8735 299.0902 -161600.5923 -109201.3235 298.4886 -85.0202 -63.5304 762052.4222 -3.1160 -3.0150 LDB: ============= START OF LOAD BALANCING ============== 7348.49 LDB: ============== END OF LOAD BALANCING =============== 7348.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7348.49 LDB: ============= START OF LOAD BALANCING ============== 7348.8 LDB: Largest compute 7068 load 0.030110 is 15.4% of average load 0.195044 LDB: Average compute 0.004416 is 2.3% of average load 0.195044 LDB: TIME 7348.81 LOAD: AVG 0.195044 MAX 0.217531 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.523 MB LDB: TIME 7348.81 LOAD: AVG 0.195044 MAX 0.217531 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.523 MB LDB: TIME 7348.81 LOAD: AVG 0.195044 MAX 0.217531 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.523 MB LDB: ============== END OF LOAD BALANCING =============== 7348.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7348.81 PRESSURE: 2348400 -328.885 127.171 177.439 127.17 -487.302 339.841 177.439 339.842 67.2806 GPRESSURE: 2348400 -319.181 130.003 139.424 263.07 -389.28 354.441 170.497 337.465 36.0391 PRESSAVG: 2348400 14.0451 -45.5156 -23.8355 -45.5156 -23.4208 11.6574 -23.8355 11.6575 19.1453 GPRESSAVG: 2348400 13.9557 -43.6991 -24.1477 -45.0611 -23.2877 11.1758 -22.496 11.643 19.2399 TIMING: 2348400 CPU: 7336.65, 0.00318507/step Wall: 7336.65, 0.00318507/step, 2.34598 hours remaining, 234.550781 MB of memory in use. ENERGY: 2348400 3993.7884 20347.7711 14455.2435 226.3287 -202926.2574 2350.8112 0.0000 0.0000 51892.8198 -109659.4947 298.2287 -161552.3145 -109305.0997 298.8258 -249.6356 -224.1407 762471.5492 3.2565 3.3027 PRESSURE: 2348600 -115.445 10.7233 104.575 10.7229 -96.6726 -19.8688 104.575 -19.868 2.42449 GPRESSURE: 2348600 -77.2782 45.7013 119.844 86.1547 -40.7548 -31.2396 91.4796 -34.6587 -11.5634 PRESSAVG: 2348600 30.1892 -14.5604 -32.1924 -14.5604 -26.3153 46.8808 -32.1924 46.8807 8.28003 GPRESSAVG: 2348600 31.5453 -11.9299 -30.1106 -14.3285 -26.9558 47.9298 -31.7968 45.8263 7.84875 TIMING: 2348600 CPU: 7337.27, 0.0031247/step Wall: 7337.27, 0.0031247/step, 2.30134 hours remaining, 234.753906 MB of memory in use. ENERGY: 2348600 3945.8026 20246.6747 14406.3429 236.8049 -203075.1836 2554.3186 0.0000 0.0000 51873.3099 -109811.9300 298.1166 -161685.2399 -109446.0461 298.2280 -69.8977 -43.1988 763157.0381 4.0513 4.1461 PRESSURE: 2348800 -36.53 49.7898 69.5348 49.7894 -178.937 -191.867 69.535 -191.869 -70.0805 GPRESSURE: 2348800 -18.7057 75.5639 59.5773 41.2662 -192.063 -177.163 -4.97251 -230.625 23.1931 PRESSAVG: 2348800 24.1007 -4.70953 -20.5889 -4.70953 -18.4584 16.1629 -20.5889 16.1629 2.29657 GPRESSAVG: 2348800 23.9265 -6.06042 -21.139 -6.78115 -18.1174 15.8184 -21.666 14.916 2.59712 TIMING: 2348800 CPU: 7337.89, 0.00309734/step Wall: 7337.89, 0.00309734/step, 2.28102 hours remaining, 234.753906 MB of memory in use. ENERGY: 2348800 4093.3281 20424.9460 14429.5855 245.0219 -203499.8845 2843.8753 0.0000 0.0000 51651.5781 -109811.5497 296.8423 -161463.1278 -109457.9916 297.7350 -95.1827 -62.5253 762021.3864 2.6463 2.8021 PRESSURE: 2349000 -151.81 -20.29 117.855 -20.2894 -216.581 305.719 117.855 305.718 369.599 GPRESSURE: 2349000 -83.9157 -30.9916 197.429 0.132103 -140.192 292.638 66.7911 286.788 317.379 PRESSAVG: 2349000 4.61057 -87.2346 -45.2757 -87.2347 15.5587 2.5002 -45.2757 2.50016 0.0344779 GPRESSAVG: 2349000 3.98484 -86.5656 -44.5185 -87.4181 15.375 2.0211 -45.9903 6.09807 0.426677 TIMING: 2349000 CPU: 7338.51, 0.00309485/step Wall: 7338.51, 0.00309485/step, 2.27902 hours remaining, 234.753906 MB of memory in use. ENERGY: 2349000 3890.1850 20257.1719 14463.0272 254.7737 -203320.3615 2565.7605 0.0000 0.0000 52062.1747 -109827.2685 299.2020 -161889.4432 -109464.8682 297.7713 0.4025 31.0905 761117.7602 6.7346 6.5955 PRESSURE: 2349200 -256.687 124.044 -123.936 124.043 -143.148 -35.6775 -123.936 -35.6766 -381.83 GPRESSURE: 2349200 -136.947 12.6312 -97.2661 27.8137 -121.914 100.249 19.2336 56.9181 -452.366 PRESSAVG: 2349200 -10.6501 -30.883 35.4481 -30.883 -7.79129 -20.6826 35.448 -20.6826 24.3276 GPRESSAVG: 2349200 -9.67374 -34.5127 34.8402 -30.2277 -7.43024 -21.7446 35.8974 -20.9495 22.9558 TIMING: 2349200 CPU: 7339.13, 0.00310024/step Wall: 7339.13, 0.00310024/step, 2.28281 hours remaining, 234.753906 MB of memory in use. ENERGY: 2349200 3985.8050 20365.3835 14379.0072 252.2285 -203493.0599 2825.5177 0.0000 0.0000 51941.2923 -109743.8258 298.5073 -161685.1180 -109381.3975 297.9662 -260.5549 -237.0760 763132.1373 1.9621 1.9506 PRESSURE: 2349400 24.3838 -92.3725 -68.6753 -92.3726 -123.17 124.78 -68.675 124.78 -343.883 GPRESSURE: 2349400 23.9321 -81.9852 -98.108 69.7278 -40.5915 65.5113 -67.2975 44.7967 -348.965 PRESSAVG: 2349400 12.5093 -36.9141 -37.0887 -36.9141 6.11785 33.5225 -37.0888 33.5226 -12.5419 GPRESSAVG: 2349400 11.1897 -34.137 -37.0422 -35.2145 6.23095 32.4755 -39.0026 33.1912 -11.7735 TIMING: 2349400 CPU: 7339.75, 0.00310879/step Wall: 7339.75, 0.00310879/step, 2.28893 hours remaining, 234.753906 MB of memory in use. ENERGY: 2349400 4001.6319 20453.4003 14443.5802 247.8480 -203210.5199 2742.2272 0.0000 0.0000 51523.8090 -109798.0233 296.1080 -161321.8323 -109441.1185 297.8129 -147.5563 -121.8747 763320.1825 2.0284 1.8824 PRESSURE: 2349600 -251.456 55.4625 -59.5807 55.462 -245.663 -120.551 -59.5814 -120.551 -181.865 GPRESSURE: 2349600 -161.1 96.1489 34.1667 31.3032 -285.441 -129.665 91.763 -102.002 -134.656 PRESSAVG: 2349600 46.9513 8.6386 41.2534 8.63863 -61.2839 -17.0407 41.2534 -17.0407 -4.18879 GPRESSAVG: 2349600 47.9736 5.7014 42.132 8.53377 -61.8121 -16.0875 42.1524 -16.1475 -4.42609 TIMING: 2349600 CPU: 7340.37, 0.00310433/step Wall: 7340.37, 0.00310433/step, 2.28548 hours remaining, 234.753906 MB of memory in use. ENERGY: 2349600 4045.4586 20315.4898 14370.8586 253.3902 -203546.9260 2683.5707 0.0000 0.0000 51817.3822 -110060.7759 297.7952 -161878.1581 -109698.3173 297.6246 -226.3280 -193.7324 761320.1392 -6.1738 -6.0882 PRESSURE: 2349800 -26.695 170.467 -1.85436 170.467 67.3569 -58.8373 -1.85484 -58.8383 123.721 GPRESSURE: 2349800 15.9958 141.916 38.2548 160.71 138.252 -61.2034 -100.951 -113.86 97.1494 PRESSAVG: 2349800 54.6215 4.11491 -54.5957 4.11498 -23.6596 -50.3354 -54.5957 -50.3354 -12.236 GPRESSAVG: 2349800 55.9829 6.4496 -56.3111 1.1485 -24.3712 -48.6732 -52.082 -53.663 -12.8872 TIMING: 2349800 CPU: 7341, 0.00311693/step Wall: 7341, 0.00311693/step, 2.29458 hours remaining, 234.753906 MB of memory in use. ENERGY: 2349800 3966.6104 20507.2867 14311.0593 244.0120 -203704.2707 2903.1859 0.0000 0.0000 51671.8411 -110100.2752 296.9588 -161772.1163 -109738.3400 297.4798 54.7944 83.7990 761594.6554 6.2419 6.2415 PRESSURE: 2350000 -59.2466 63.7695 4.47128 63.7691 -97.3474 -42.2373 4.47078 -42.2373 -88.1584 GPRESSURE: 2350000 -156.846 -7.33716 32.8401 147.545 3.90631 -106.707 -85.3403 31.6326 -10.7459 PRESSAVG: 2350000 -45.4263 21.2905 -54.0328 21.2905 26.9086 -49.1545 -54.0328 -49.1546 -2.17076 GPRESSAVG: 2350000 -45.6284 19.7954 -54.4953 23.0691 26.488 -50.7589 -56.6796 -47.2127 -1.53646 TIMING: 2350000 CPU: 7341.62, 0.00312094/step Wall: 7341.62, 0.00312094/step, 2.29736 hours remaining, 234.753906 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: 2350000 4052.4166 20257.8252 14396.6064 243.9343 -203610.3866 2692.3119 0.0000 0.0000 51857.7524 -110109.5398 298.0272 -161967.2921 -109747.4783 297.2633 -81.5841 -54.5618 763458.6102 -6.8962 -6.8923 PRESSURE: 2350200 -127.369 115.679 -311.565 115.679 64.918 232.152 -311.564 232.153 295.078 GPRESSURE: 2350200 -26.1834 176.444 -304.776 161.551 -0.283002 209.36 -176.407 205.405 325.145 PRESSAVG: 2350200 4.42886 57.1256 -34.3987 57.1256 1.94279 7.35875 -34.3987 7.35881 -4.75471 GPRESSAVG: 2350200 3.92327 57.4178 -33.228 57.1645 2.53432 7.89399 -34.5513 7.9025 -5.29382 TIMING: 2350200 CPU: 7342.24, 0.00311525/step Wall: 7342.24, 0.00311525/step, 2.293 hours remaining, 234.753906 MB of memory in use. ENERGY: 2350200 3955.9828 20345.3648 14361.7509 227.8843 -203945.9705 2947.7147 0.0000 0.0000 51986.8988 -110120.3743 298.7694 -162107.2731 -109752.7592 297.8802 77.5422 99.5595 761599.6334 0.5390 0.3879 PRESSURE: 2350400 0.808615 -18.9871 -39.2845 -18.9865 -290.494 310.035 -39.2841 310.035 -548.858 GPRESSURE: 2350400 24.9476 -13.0133 -51.7869 -75.1815 -293.117 264.1 -155.048 322.698 -479.172 PRESSAVG: 2350400 16.9806 -30.096 -23.232 -30.0959 13.6597 45.9868 -23.232 45.9868 17.8468 GPRESSAVG: 2350400 17.0502 -30.1343 -25.3177 -30.5984 12.9782 44.6199 -20.0713 46.231 18.4492 TIMING: 2350400 CPU: 7342.87, 0.00311051/step Wall: 7342.87, 0.00311052/step, 2.28934 hours remaining, 234.753906 MB of memory in use. ENERGY: 2350400 3996.0145 20416.7509 14341.4827 248.5939 -203299.0951 2576.9700 0.0000 0.0000 51719.8477 -109999.4353 297.2347 -161719.2830 -109635.6597 297.6151 -279.5144 -249.1138 762358.7270 16.1624 16.1592 PRESSURE: 2350600 178.391 -72.2286 261.254 -72.2288 123.261 -34.0107 261.254 -34.0122 275.487 GPRESSURE: 2350600 172.533 -116.998 241.679 -140.117 170.059 -75.0956 170.451 -28.4761 305.282 PRESSAVG: 2350600 0.598466 -27.4684 12.7239 -27.4684 54.0159 33.5636 12.7239 33.5635 10.6568 GPRESSAVG: 2350600 -0.32969 -26.9269 15.4492 -27.425 55.3986 34.1568 11.2387 31.2463 10.2707 TIMING: 2350600 CPU: 7343.49, 0.00311177/step Wall: 7343.49, 0.00311177/step, 2.29009 hours remaining, 234.753906 MB of memory in use. ENERGY: 2350600 3962.7189 20568.7929 14376.7715 264.1597 -203649.3009 2801.6117 0.0000 0.0000 51795.2797 -109879.9665 297.6682 -161675.2462 -109515.4480 297.8507 192.3798 215.9580 761554.0473 21.7571 21.7799 PRESSURE: 2350800 370.358 78.1756 -106.56 78.1754 4.78127 -47.3771 -106.559 -47.3772 69.3157 GPRESSURE: 2350800 419.434 54.9678 -53.8646 29.3924 -14.3641 -99.2246 -249.423 -159.744 129.644 PRESSAVG: 2350800 55.7127 -17.6659 7.24307 -17.6659 -42.7221 44.8543 7.24304 44.8543 -0.29608 GPRESSAVG: 2350800 57.2831 -18.5141 7.2324 -16.8313 -43.4879 45.8786 6.2599 45.2915 -0.981546 TIMING: 2350800 CPU: 7344.11, 0.00309982/step Wall: 7344.11, 0.00309982/step, 2.28112 hours remaining, 234.753906 MB of memory in use. ENERGY: 2350800 4021.0583 20507.5258 14318.2077 266.0980 -203696.7080 3111.4615 0.0000 0.0000 51716.9217 -109755.4349 297.2179 -161472.3566 -109402.5284 297.9408 148.1518 178.2381 761657.0662 4.2315 4.2712 PRESSURE: 2351000 -208.32 -66.3698 115.523 -66.3692 217.163 227.024 115.524 227.025 366.176 GPRESSURE: 2351000 -155.183 -173.5 72.5464 -82.0361 287.387 182.776 101.003 243.372 329.104 PRESSAVG: 2351000 -4.74009 -36.3305 2.66577 -36.3305 -53.8972 -23.946 2.66584 -23.9461 2.46523 GPRESSAVG: 2351000 -6.84345 -36.2042 2.18533 -36.0313 -53.1959 -24.5286 2.7646 -24.5994 3.52186 TIMING: 2351000 CPU: 7344.73, 0.00310341/step Wall: 7344.73, 0.00310341/step, 2.28359 hours remaining, 234.753906 MB of memory in use. ENERGY: 2351000 3912.2509 20316.5805 14365.0470 263.9970 -203309.9695 2804.6763 0.0000 0.0000 51940.9007 -109706.5170 298.5051 -161647.4176 -109339.8010 298.2476 125.0063 153.7694 762099.7030 -18.7240 -18.8392 PRESSURE: 2351200 -56.634 92.3772 11.5495 92.3774 -129.981 -175.928 11.5501 -175.927 326.335 GPRESSURE: 2351200 -19.7428 39.448 48.2637 42.6649 -31.5086 -162.707 62.8147 -112.481 293.424 PRESSAVG: 2351200 21.4263 -12.4322 -23.4762 -12.4322 22.8251 12.9581 -23.4762 12.958 22.7268 GPRESSAVG: 2351200 21.9204 -10.9364 -23.0123 -13.8357 22.9562 13.3851 -23.8562 15.1224 22.2008 TIMING: 2351200 CPU: 7345.35, 0.00311194/step Wall: 7345.35, 0.00311194/step, 2.28969 hours remaining, 234.753906 MB of memory in use. ENERGY: 2351200 3932.8719 20379.7079 14429.1804 257.2947 -203547.2414 2736.5832 0.0000 0.0000 52052.4035 -109759.1998 299.1459 -161811.6033 -109396.8385 298.3313 46.5733 80.7241 762804.8838 22.3261 22.3591 PRESSURE: 2351400 78.4262 -141.944 -150.564 -141.945 -148.851 331.633 -150.564 331.632 -657.436 GPRESSURE: 2351400 127.556 -68.5902 -214.238 -98.454 -99.789 416.953 -102.511 320.955 -653.621 PRESSAVG: 2351400 -22.5779 -29.8872 -64.1615 -29.8872 30.6925 8.09819 -64.1615 8.09824 -15.745 GPRESSAVG: 2351400 -22.5437 -29.8652 -65.7894 -29.042 30.8491 8.66276 -62.5939 7.71359 -16.0569 TIMING: 2351400 CPU: 7345.97, 0.00310542/step Wall: 7345.97, 0.00310542/step, 2.28473 hours remaining, 234.753906 MB of memory in use. ENERGY: 2351400 3971.1694 20398.6968 14434.3553 244.1772 -203106.8473 2541.5022 0.0000 0.0000 51943.4817 -109573.4647 298.5199 -161516.9464 -109213.9828 297.9348 -242.6205 -208.6178 763445.9558 -2.5434 -2.5838 PRESSURE: 2351600 -11.6335 172.532 35.6128 172.532 -443.405 -60.0402 35.6121 -60.0392 -76.0085 GPRESSURE: 2351600 -44.1962 129.845 90.2217 245.68 -386.062 -46.9645 -9.0295 -60.4523 -3.51053 PRESSAVG: 2351600 -23.0887 -30.6515 -37.9352 -30.6514 -4.44214 -15.7086 -37.9352 -15.7085 -16.3868 GPRESSAVG: 2351600 -23.2015 -30.2519 -36.2887 -31.2219 -4.44597 -17.2318 -38.5229 -15.7994 -16.4686 TIMING: 2351600 CPU: 7346.59, 0.00310615/step Wall: 7346.59, 0.00310614/step, 2.28509 hours remaining, 234.753906 MB of memory in use. ENERGY: 2351600 3986.4217 20449.1314 14465.3639 252.9337 -203079.2906 2600.9856 0.0000 0.0000 51612.0664 -109712.3879 296.6153 -161324.4543 -109352.8145 297.8442 -177.0158 -144.5896 760839.3052 -14.6392 -14.7054 PRESSURE: 2351800 -114.461 -175.38 -318.185 -175.378 -194.631 -150.732 -318.185 -150.732 -56.3119 GPRESSURE: 2351800 -98.3538 -132.523 -253.598 -70.4518 -148.861 -156.408 -155.514 16.9888 -24.0632 PRESSAVG: 2351800 4.09076 -35.347 -19.5161 -35.347 10.3729 24.9748 -19.5161 24.9748 -3.56342 GPRESSAVG: 2351800 3.08316 -36.9889 -18.9783 -35.3257 11.1559 23.0337 -19.555 27.5113 -4.11409 TIMING: 2351800 CPU: 7347.21, 0.0031023/step Wall: 7347.21, 0.0031023/step, 2.28208 hours remaining, 234.753906 MB of memory in use. ENERGY: 2351800 3924.5314 20488.1990 14425.1126 253.9365 -203205.5774 2588.5210 0.0000 0.0000 51623.2021 -109902.0747 296.6793 -161525.2769 -109547.0605 297.6940 -121.8014 -90.4259 760847.1207 3.6334 3.3750 PRESSURE: 2352000 171.759 -27.9908 -7.44331 -27.9903 -32.0312 303.743 -7.4438 303.743 -114.064 GPRESSURE: 2352000 161.133 -13.5957 6.60302 -32.4129 62.8842 331.749 64.0191 253.321 -129.996 PRESSAVG: 2352000 0.501456 -28.704 -27.6955 -28.704 -42.964 36.8338 -27.6955 36.8339 -12.2376 GPRESSAVG: 2352000 1.52676 -29.4288 -28.8703 -28.2434 -45.2183 40.2467 -28.2947 34.0282 -11.0932 TIMING: 2352000 CPU: 7347.83, 0.00310216/step Wall: 7347.83, 0.00310216/step, 2.28181 hours remaining, 234.753906 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: 2352000 3943.4124 20225.0663 14376.6019 242.7000 -202979.5110 2670.0110 0.0000 0.0000 51810.2716 -109711.4478 297.7543 -161521.7194 -109345.4363 298.0355 8.5545 31.3406 762983.4206 -18.2334 -18.2616 PRESSURE: 2352200 -179.406 -142.855 -204.842 -142.855 -276.078 93.9166 -204.842 93.9157 -501.365 GPRESSURE: 2352200 -149.099 -64.2545 -195.545 -231.938 -247.412 169.935 -209.845 0.429912 -487.074 PRESSAVG: 2352200 -12.8249 -0.617429 -69.9977 -0.617435 -49.4547 54.3989 -69.9977 54.3988 10.301 GPRESSAVG: 2352200 -12.9174 0.995471 -70.5888 -1.92908 -47.1796 53.953 -68.2693 53.6779 9.01007 TIMING: 2352200 CPU: 7348.46, 0.0031075/step Wall: 7348.46, 0.0031075/step, 2.28557 hours remaining, 234.753906 MB of memory in use. ENERGY: 2352200 4001.2656 20439.6279 14420.1449 260.8158 -203586.2539 2775.0761 0.0000 0.0000 51763.1053 -109926.2182 297.4833 -161689.3235 -109581.0024 297.8243 -318.9497 -294.5284 764638.9064 -17.3262 -17.0290 LDB: ============= START OF LOAD BALANCING ============== 7360.93 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7360.93 LDB: =============== DONE WITH MIGRATION ================ 7360.93 LDB: ============= START OF LOAD BALANCING ============== 7361.24 LDB: Largest compute 7069 load 0.030693 is 15.7% of average load 0.195005 LDB: Average compute 0.004438 is 2.3% of average load 0.195005 LDB: TIME 7361.25 LOAD: AVG 0.195005 MAX 0.218922 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.684 MB LDB: TIME 7361.25 LOAD: AVG 0.195005 MAX 0.218922 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.684 MB LDB: TIME 7361.25 LOAD: AVG 0.195005 MAX 0.216148 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.684 MB LDB: ============== END OF LOAD BALANCING =============== 7361.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7361.26 PRESSURE: 2352400 -81.0916 -92.5648 -164.758 -92.5645 -48.8433 -121.216 -164.759 -121.215 126.572 GPRESSURE: 2352400 -2.03633 -88.7947 -234.7 -45.3982 -38.0512 -63.3621 23.8031 -28.5587 106.773 PRESSAVG: 2352400 -47.2508 -37.8062 -6.85043 -37.8063 52.8992 22.6169 -6.85041 22.6169 29.4401 GPRESSAVG: 2352400 -46.852 -34.9184 -6.29495 -39.5564 51.6185 22.695 -7.20297 23.7053 30.7141 TIMING: 2352400 CPU: 7349.09, 0.00316775/step Wall: 7349.09, 0.00316775/step, 2.32971 hours remaining, 234.117188 MB of memory in use. ENERGY: 2352400 3929.1394 20340.1510 14350.4454 239.2602 -203713.2320 3031.0980 0.0000 0.0000 51793.0192 -110030.1188 297.6552 -161823.1381 -109677.5571 297.2600 -1.1209 22.2285 762410.5112 11.6962 11.8269 PRESSURE: 2352600 96.5422 33.8696 191.201 33.8695 182.747 75.8688 191.202 75.868 -165.13 GPRESSURE: 2352600 142.577 92.826 162.243 91.7682 142.812 150.17 166.797 52.5273 -99.2708 PRESSAVG: 2352600 -0.14452 -45.3805 41.8399 -45.3805 3.97003 62.7426 41.8399 62.7426 3.11673 GPRESSAVG: 2352600 -1.42548 -46.3152 42.7297 -42.7017 4.71315 61.9175 40.5436 63.211 3.37097 TIMING: 2352600 CPU: 7349.71, 0.00311277/step Wall: 7349.71, 0.00311277/step, 2.2891 hours remaining, 234.117188 MB of memory in use. ENERGY: 2352600 3933.9981 20253.3318 14330.2256 215.1095 -203480.0283 2771.0759 0.0000 0.0000 51878.7684 -110097.5191 298.1480 -161976.2874 -109730.9878 297.6687 38.0530 62.0394 762636.4382 2.3141 2.2195 PRESSURE: 2352800 144.257 21.1259 -166.709 21.1261 339.635 120.867 -166.708 120.866 31.7611 GPRESSURE: 2352800 106.37 92.3684 -95.7288 44.3346 409.814 146.094 -143.313 77.9379 107.768 PRESSAVG: 2352800 -5.3815 6.49026 -27.5479 6.49027 29.4843 -16.7957 -27.5479 -16.7957 -27.5644 GPRESSAVG: 2352800 -4.18152 6.68976 -26.5795 4.65639 29.4734 -16.7153 -28.7087 -14.9423 -28.3856 TIMING: 2352800 CPU: 7350.34, 0.00312183/step Wall: 7350.34, 0.00312183/step, 2.29558 hours remaining, 234.117188 MB of memory in use. ENERGY: 2352800 3972.1741 20404.0731 14342.5842 244.6842 -203550.6387 3026.6534 0.0000 0.0000 51561.4777 -109998.9921 296.3245 -161560.4697 -109646.4936 297.0709 171.8844 207.9839 761976.8073 -1.1539 -1.0313 PRESSURE: 2353000 -196.682 -105.27 -201.318 -105.27 -290.833 149.934 -201.317 149.934 90.5042 GPRESSURE: 2353000 -144.094 -60.9309 -221.502 -31.5322 -247.741 153.703 -188.698 108.553 83.6201 PRESSAVG: 2353000 -14.1194 12.1877 -20.0598 12.1877 32.4013 22.5502 -20.0598 22.5502 6.32866 GPRESSAVG: 2353000 -13.2337 10.0071 -21.4111 13.9795 32.2215 21.3135 -18.5912 19.4487 6.1749 TIMING: 2353000 CPU: 7350.96, 0.00312007/step Wall: 7350.96, 0.00312007/step, 2.29412 hours remaining, 234.117188 MB of memory in use. ENERGY: 2353000 4008.1650 20579.6502 14355.0111 244.4734 -203630.1426 2916.2931 0.0000 0.0000 51916.4716 -109610.0783 298.3647 -161526.5499 -109243.6834 297.7523 -132.3369 -102.7382 763801.5223 8.2035 8.3876 PRESSURE: 2353200 266.644 16.3237 -238.036 16.3232 454.514 6.20476 -238.036 6.20365 -176.553 GPRESSURE: 2353200 326.8 61.5374 -267.597 62.0112 389.866 -63.2588 -172.166 -23.0055 -83.6547 PRESSAVG: 2353200 3.71323 12.7775 -48.4904 12.7775 -31.7416 -8.30962 -48.4905 -8.30959 6.79034 GPRESSAVG: 2353200 3.57577 13.3584 -46.9714 11.7692 -31.8513 -7.79639 -47.6893 -6.70751 7.06978 TIMING: 2353200 CPU: 7351.58, 0.00309995/step Wall: 7351.58, 0.00309995/step, 2.27915 hours remaining, 234.117188 MB of memory in use. ENERGY: 2353200 3877.0964 20452.7252 14380.6797 247.2203 -203690.3086 2866.3999 0.0000 0.0000 52267.0324 -109599.1549 300.3794 -161866.1872 -109246.6025 298.4702 181.5351 211.0037 761517.1732 -7.0794 -7.0686 PRESSURE: 2353400 -52.0578 -414.275 160.484 -414.275 -94.4521 -21.0503 160.483 -21.0502 -222.119 GPRESSURE: 2353400 38.2707 -457.682 46.0738 -362.966 -109.231 2.4715 107.287 -57.6941 -246.776 PRESSAVG: 2353400 12.2716 -15.8581 4.21875 -15.8581 -12.8996 -3.35837 4.21869 -3.35838 22.8023 GPRESSAVG: 2353400 12.1677 -16.5422 2.78085 -15.6396 -12.091 -3.40008 4.77074 -2.7439 22.1216 TIMING: 2353400 CPU: 7352.2, 0.00310994/step Wall: 7352.2, 0.00310994/step, 2.28632 hours remaining, 234.117188 MB of memory in use. ENERGY: 2353400 3908.7277 20561.9320 14449.2034 258.0712 -203258.8414 2455.8089 0.0000 0.0000 52085.5053 -109539.5928 299.3361 -161625.0981 -109173.3292 298.6275 -122.8763 -105.9124 763145.4575 7.3914 7.3994 PRESSURE: 2353600 -362.499 -53.6123 209.776 -53.6121 217.49 -261.449 209.777 -261.449 -454.503 GPRESSURE: 2353600 -330.622 -7.98915 242.912 28.7785 243.602 -287.615 208.578 -211.43 -438.598 PRESSAVG: 2353600 -32.6438 -62.6119 39.5573 -62.6118 -18.9932 -18.8087 39.5573 -18.8087 -10.3442 GPRESSAVG: 2353600 -32.4335 -63.2294 39.783 -59.5705 -19.4966 -18.314 39.131 -18.579 -9.92318 TIMING: 2353600 CPU: 7352.83, 0.00311775/step Wall: 7352.83, 0.00311775/step, 2.2919 hours remaining, 234.117188 MB of memory in use. ENERGY: 2353600 4026.8304 20660.8496 14383.4475 257.5332 -203414.9509 2753.8143 0.0000 0.0000 51896.7435 -109435.7325 298.2513 -161332.4759 -109081.4385 298.8210 -199.8372 -175.2060 760853.0880 -20.6604 -20.6177 PRESSURE: 2353800 -242.881 -29.3518 47.8746 -29.3511 -170.507 -106.194 47.8741 -106.194 -106.422 GPRESSURE: 2353800 -165.042 -140.915 26.7864 -89.8298 -139.567 -43.0287 144.206 -37.8115 -116.227 PRESSAVG: 2353800 21.0798 5.57231 -8.5555 5.5723 -16.5643 -24.031 -8.55542 -24.0309 -0.0875094 GPRESSAVG: 2353800 20.1484 5.3179 -9.39216 2.66279 -16.0113 -23.375 -9.41652 -23.823 -0.167866 TIMING: 2353800 CPU: 7353.45, 0.00311565/step Wall: 7353.45, 0.00311565/step, 2.29018 hours remaining, 234.117188 MB of memory in use. ENERGY: 2353800 4034.3419 20486.4244 14359.3993 234.8542 -203228.2214 2645.0263 0.0000 0.0000 52203.7377 -109264.4377 300.0156 -161468.1754 -108899.7506 299.0801 -173.2698 -140.2788 762564.2880 1.4760 1.3231 PRESSURE: 2354000 -103.749 -102.879 72.1995 -102.88 -178.592 -17.5558 72.1994 -17.5558 -115.915 GPRESSURE: 2354000 -50.085 5.25436 91.4318 6.93765 -130.684 -49.9683 12.8163 -47.0275 -134.949 PRESSAVG: 2354000 -49.0619 -21.6587 27.7371 -21.6587 58.8323 -18.0979 27.7371 -18.0979 -5.16578 GPRESSAVG: 2354000 -49.6567 -21.0994 29.6812 -19.2385 59.6123 -18.2905 26.6551 -20.5562 -5.07298 TIMING: 2354000 CPU: 7354.07, 0.00311207/step Wall: 7354.07, 0.00311207/step, 2.28737 hours remaining, 234.117188 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: 2354000 4086.5822 20526.2296 14334.0543 242.3543 -203727.5864 3002.9923 0.0000 0.0000 52334.7419 -109200.6319 300.7685 -161535.3737 -108841.3424 299.5208 -132.7523 -105.2396 762645.5889 1.5349 1.6275 PRESSURE: 2354200 -181.146 241.842 32.6664 241.843 -240.221 -195.951 32.6666 -195.95 157.919 GPRESSURE: 2354200 -70.7585 226.407 -42.5814 202.097 -311.492 -176.217 81.9075 -123.307 215.732 PRESSAVG: 2354200 1.68304 7.239 -9.84129 7.239 -2.29249 -26.2795 -9.84126 -26.2796 8.21347 GPRESSAVG: 2354200 2.9752 7.29414 -10.3873 6.43562 -4.81304 -26.1964 -6.82263 -24.71 9.39367 TIMING: 2354200 CPU: 7354.69, 0.00310812/step Wall: 7354.69, 0.00310812/step, 2.2843 hours remaining, 234.117188 MB of memory in use. ENERGY: 2354200 3989.8850 20646.9868 14333.7249 251.5311 -203043.8736 2540.0335 0.0000 0.0000 52041.9875 -109239.7248 299.0860 -161281.7123 -108874.3960 299.4157 -87.8158 -55.5060 762719.3174 2.5347 2.5186 PRESSURE: 2354400 -197.666 66.8423 -53.4472 66.8417 313.123 -8.28626 -53.4471 -8.28604 -58.155 GPRESSURE: 2354400 -160.016 60.4669 12.3136 69.3424 342.128 -70.5797 -27.1089 21.1742 -38.2356 PRESSAVG: 2354400 -7.21247 9.17522 -29.4842 9.17514 30.1197 26.4548 -29.4841 26.4549 15.1345 GPRESSAVG: 2354400 -8.51197 7.45762 -30.0187 10.9079 31.2577 24.0068 -30.1813 27.8966 15.3818 TIMING: 2354400 CPU: 7355.31, 0.00310787/step Wall: 7355.31, 0.00310787/step, 2.28394 hours remaining, 234.117188 MB of memory in use. ENERGY: 2354400 3993.4552 20543.2030 14456.8921 264.5294 -202850.9978 2404.1948 0.0000 0.0000 51777.9202 -109410.8031 297.5684 -161188.7233 -109045.9375 298.8345 19.1006 47.9590 763786.1267 12.6806 12.7092 PRESSURE: 2354600 -259.653 -26.3079 -31.7071 -26.3079 -380.107 90.9647 -31.7066 90.965 -689.395 GPRESSURE: 2354600 -172.99 -46.7492 -51.2321 -16.5709 -431.892 91.8239 21.4476 58.0363 -638.118 PRESSAVG: 2354600 -24.0117 17.1327 -16.8338 17.1327 -11.7732 1.16789 -16.8338 1.16787 4.58297 GPRESSAVG: 2354600 -24.0373 20.1313 -16.062 16.9681 -12.2998 3.35463 -17.064 -1.02455 5.16103 TIMING: 2354600 CPU: 7355.94, 0.00312041/step Wall: 7355.94, 0.00312041/step, 2.29298 hours remaining, 234.117188 MB of memory in use. ENERGY: 2354600 4063.6175 20476.0853 14389.6248 246.4192 -203378.2255 2498.8538 0.0000 0.0000 51924.3443 -109779.2806 298.4099 -161703.6248 -109419.7616 298.1076 -443.0519 -414.3334 764647.1890 -10.4006 -10.3920 PRESSURE: 2354800 16.1896 -8.12253 54.4365 -8.12274 -57.7425 -230.104 54.436 -230.104 -109.238 GPRESSURE: 2354800 58.9684 -157.996 70.4484 -44.9865 -7.89808 -285.023 -8.50947 -218.411 -117.049 PRESSAVG: 2354800 -47.9956 44.104 50.1211 44.104 11.6473 -3.74643 50.121 -3.74655 -6.48384 GPRESSAVG: 2354800 -47.6787 43.959 49.3068 41.7761 12.238 -3.20572 48.9146 -3.12103 -7.02591 TIMING: 2354800 CPU: 7356.56, 0.00311322/step Wall: 7356.56, 0.00311322/step, 2.28752 hours remaining, 234.117188 MB of memory in use. ENERGY: 2354800 3929.5945 20448.9047 14402.1579 226.8854 -203184.4104 2436.9310 0.0000 0.0000 52036.2637 -109703.6733 299.0531 -161739.9370 -109341.8777 298.0418 -50.2638 -21.9927 761697.0322 -14.2774 -14.1555 PRESSURE: 2355000 324.838 144.475 218.856 144.475 -77.3218 -14.5714 218.855 -14.5718 -8.30909 GPRESSURE: 2355000 215.071 218.009 169.941 56.9465 52.598 7.23163 220.468 -5.81553 18.2211 PRESSAVG: 2355000 21.8591 -50.1356 -19.9845 -50.1356 45.4108 -24.1825 -19.9845 -24.1824 -1.52225 GPRESSAVG: 2355000 21.4163 -52.0902 -20.8775 -46.3696 45.3842 -25.8201 -18.3912 -22.0938 -1.62031 TIMING: 2355000 CPU: 7357.19, 0.00313287/step Wall: 7357.19, 0.00313287/step, 2.30179 hours remaining, 234.117188 MB of memory in use. ENERGY: 2355000 3971.6725 20652.8793 14407.6605 263.1526 -203446.1021 2683.2295 0.0000 0.0000 51942.4997 -109525.0080 298.5143 -161467.5077 -109160.3002 298.7168 79.7359 95.2966 759606.4193 21.9159 21.7267 PRESSURE: 2355200 -80.2394 68.0501 -71.1947 68.05 -7.19156 -108.217 -71.1943 -108.218 -813.676 GPRESSURE: 2355200 -100.381 92.3684 -98.781 29.8664 -13.728 -58.3171 -92.9851 -191.619 -705.808 PRESSAVG: 2355200 35.0166 -29.4451 -15.7954 -29.4451 -33.2521 32.5263 -15.7954 32.5263 19.7565 GPRESSAVG: 2355200 35.1688 -28.069 -15.4782 -32.4961 -33.9048 34.8241 -16.1178 28.5885 19.8033 TIMING: 2355200 CPU: 7357.81, 0.00310904/step Wall: 7357.81, 0.00310904/step, 2.28411 hours remaining, 234.117188 MB of memory in use. ENERGY: 2355200 4074.2242 20439.3370 14353.6386 241.8325 -203305.6464 2518.8847 0.0000 0.0000 51905.4616 -109772.2679 298.3014 -161677.7294 -109412.4672 299.2524 -300.3690 -273.3055 759679.0652 7.1737 7.0225 PRESSURE: 2355400 139.546 -183.026 30.3996 -183.025 -8.70633 71.4638 30.3995 71.4644 181.023 GPRESSURE: 2355400 162.211 -109.961 -18.1879 -97.5221 36.2398 62.4203 73.4737 -31.415 211.424 PRESSAVG: 2355400 -9.72052 -41.6025 -23.4243 -41.6025 32.5044 -11.5287 -23.4243 -11.5287 -18.4256 GPRESSAVG: 2355400 -9.72424 -41.8675 -21.6912 -40.8855 32.7899 -11.8593 -23.3465 -9.49039 -18.458 TIMING: 2355400 CPU: 7358.43, 0.003104/step Wall: 7358.43, 0.003104/step, 2.28023 hours remaining, 234.117188 MB of memory in use. ENERGY: 2355400 3986.5964 20524.2693 14456.4196 256.2904 -203675.9192 2558.6564 0.0000 0.0000 51844.0149 -110049.6722 297.9483 -161893.6871 -109685.3132 298.4515 103.9540 136.6250 758890.1755 1.4528 1.5359 PRESSURE: 2355600 118.085 26.4388 130.457 26.4398 -13.7523 -172.719 130.458 -172.719 433.147 GPRESSURE: 2355600 148.929 -4.09145 186.853 16.8626 59.0137 -27.5235 67.7603 -308.879 410.123 PRESSAVG: 2355600 49.2696 -3.63656 59.9897 -3.63654 -2.06584 12.4412 59.9897 12.4411 42.8571 GPRESSAVG: 2355600 49.0568 -3.56166 59.6001 -4.05789 -1.98944 11.8992 60.4672 14.9792 42.6872 TIMING: 2355600 CPU: 7359.05, 0.00311718/step Wall: 7359.05, 0.00311718/step, 2.28974 hours remaining, 234.117188 MB of memory in use. ENERGY: 2355600 3925.3540 20407.8655 14373.5285 249.5264 -203714.7892 2618.2607 0.0000 0.0000 51991.6520 -110148.6022 298.7967 -162140.2542 -109790.8046 297.2995 179.1596 206.0219 759149.4281 30.0203 29.9182 PRESSURE: 2355800 364.127 54.2694 -106.233 54.2696 61.5991 175.552 -106.233 175.553 51.0306 GPRESSURE: 2355800 468.09 -19.417 -114.587 123.225 61.7792 225.678 0.0713556 136.979 35.6846 PRESSAVG: 2355800 18.2865 -5.62291 -26.6019 -5.62285 -37.3864 26.9135 -26.6019 26.9135 -9.99768 GPRESSAVG: 2355800 17.5735 -4.36451 -29.0945 -5.77677 -37.3974 24.8404 -25.909 23.9344 -9.06964 TIMING: 2355800 CPU: 7359.68, 0.0031274/step Wall: 7359.68, 0.0031274/step, 2.29708 hours remaining, 234.117188 MB of memory in use. ENERGY: 2355800 3970.0262 20336.0296 14414.7324 254.5462 -203623.1818 2939.8730 0.0000 0.0000 51665.8896 -110042.0848 296.9246 -161707.9745 -109672.9374 297.4249 158.9189 188.5181 761445.9677 -9.6992 -9.6312 PRESSURE: 2356000 199.511 12.0157 -318.769 12.0159 375.383 -98.719 -318.769 -98.7184 85.9349 GPRESSURE: 2356000 193.199 -34.9212 -379.584 -70.1272 440.627 -33.7467 -153.875 -46.4542 94.4791 PRESSAVG: 2356000 24.3374 -10.6008 -27.4397 -10.6009 -13.8147 4.83528 -27.4397 4.83525 -3.25549 GPRESSAVG: 2356000 25.3909 -12.1862 -25.6863 -12.3357 -13.9011 6.35426 -28.0531 4.5439 -3.92687 TIMING: 2356000 CPU: 7360.3, 0.00312312/step Wall: 7360.3, 0.00312312/step, 2.29376 hours remaining, 234.117188 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: 2356000 3934.5358 20596.6493 14391.0735 277.6197 -203959.6030 2993.5163 0.0000 0.0000 51781.5444 -109984.6640 297.5892 -161766.2084 -109634.8876 297.9092 220.2764 242.7683 760764.5841 2.4224 2.5210 PRESSURE: 2356200 -234.18 -201.538 -40.6656 -201.537 -229.214 -77.2246 -40.6662 -77.2259 -137.259 GPRESSURE: 2356200 -126.663 -133.274 -26.0367 -92.4836 -254.202 -80.5871 77.2157 66.0092 -138.662 PRESSAVG: 2356200 8.48481 5.13006 -86.9614 5.13003 -19.5054 -25.2891 -86.9614 -25.2891 28.0195 GPRESSAVG: 2356200 6.44985 4.79514 -85.8728 7.54479 -18.8627 -24.1289 -86.4696 -23.8699 29.0236 TIMING: 2356200 CPU: 7360.92, 0.0030961/step Wall: 7360.92, 0.0030961/step, 2.27374 hours remaining, 234.117188 MB of memory in use. ENERGY: 2356200 4018.9141 20492.1976 14471.5699 218.8753 -203620.4151 2769.4910 0.0000 0.0000 51948.8678 -109700.4992 298.5509 -161649.3670 -109340.5606 298.6999 -200.2178 -173.1757 762254.3376 5.6663 5.5369 LDB: ============= START OF LOAD BALANCING ============== 7373.4 LDB: ============== END OF LOAD BALANCING =============== 7373.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7373.4 LDB: ============= START OF LOAD BALANCING ============== 7373.71 LDB: Largest compute 7069 load 0.031323 is 16.1% of average load 0.195010 LDB: Average compute 0.004422 is 2.3% of average load 0.195010 LDB: TIME 7373.71 LOAD: AVG 0.19501 MAX 0.220241 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.398 MB LDB: TIME 7373.71 LOAD: AVG 0.19501 MAX 0.220241 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.602 MB LDB: TIME 7373.72 LOAD: AVG 0.19501 MAX 0.217562 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.602 MB LDB: ============== END OF LOAD BALANCING =============== 7373.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7373.72 PRESSURE: 2356400 11.2303 -198.221 -53.2721 -198.221 216.406 -124.211 -53.2728 -124.211 224.122 GPRESSURE: 2356400 94.1615 -311.095 -86.2173 -165.303 205.269 -95.8107 -16.1609 -3.23436 247.061 PRESSAVG: 2356400 -0.54951 -4.7921 12.7095 -4.79208 -41.0081 4.38142 12.7094 4.38144 -3.30769 GPRESSAVG: 2356400 2.41686 -3.90285 12.8619 -4.34767 -42.153 2.67281 12.31 3.9662 -4.729 TIMING: 2356400 CPU: 7361.56, 0.00316283/step Wall: 7361.56, 0.00316283/step, 2.32257 hours remaining, 235.652344 MB of memory in use. ENERGY: 2356400 3985.9495 20454.9968 14463.7921 228.5342 -203766.8742 2881.7395 0.0000 0.0000 51879.9518 -109871.9104 298.1548 -161751.8622 -109512.6495 298.2972 150.5859 182.1636 762283.7270 -14.9551 -14.8217 PRESSURE: 2356600 -198.675 91.2421 -184.528 91.2419 193.011 -149.107 -184.527 -149.106 -371.717 GPRESSURE: 2356600 -124.301 143.283 -205.121 70.3579 199.704 -192.844 -110.761 -117.433 -362.894 PRESSAVG: 2356600 -53.3378 -19.0417 5.87003 -19.0417 33.056 36.5823 5.87009 36.5822 13.0275 GPRESSAVG: 2356600 -53.814 -18.9154 5.10716 -21.0911 33.5117 37.3192 4.23771 38.1524 13.6954 TIMING: 2356600 CPU: 7362.18, 0.00311088/step Wall: 7362.18, 0.00311088/step, 2.28425 hours remaining, 235.855469 MB of memory in use. ENERGY: 2356600 3962.4896 20712.9344 14459.2659 239.6774 -203418.3610 2586.2646 0.0000 0.0000 51770.1367 -109687.5924 297.5237 -161457.7291 -109324.8064 298.0072 -125.7938 -95.8304 764522.8397 -2.4181 -2.2023 PRESSURE: 2356800 -181.776 9.62444 66.9544 9.62451 -94.0339 112.866 66.9539 112.866 -84.9691 GPRESSURE: 2356800 -195.068 21.9912 142.054 40.2547 -2.21962 87.0265 54.4564 148.105 -71.1946 PRESSAVG: 2356800 -7.93027 1.16485 -24.2249 1.16482 27.3615 31.9999 -24.225 32 7.02692 GPRESSAVG: 2356800 -8.03756 0.553659 -23.118 0.655534 27.9552 31.4944 -21.3149 30.5375 6.49085 TIMING: 2356800 CPU: 7362.8, 0.00311848/step Wall: 7362.8, 0.00311848/step, 2.28966 hours remaining, 235.855469 MB of memory in use. ENERGY: 2356800 3934.8029 20449.5240 14419.6383 249.0630 -203820.4323 2990.1803 0.0000 0.0000 52165.2834 -109611.9405 299.7946 -161777.2239 -109241.3665 298.4861 -120.2595 -89.4939 763637.8799 8.8194 8.8028 PRESSURE: 2357000 -52.7466 -131.082 219.924 -131.083 -193.223 -97.3351 219.923 -97.3361 -366.162 GPRESSURE: 2357000 -105.011 -115.443 259.462 -61.4586 -94.2201 -8.6453 99.3882 -33.1303 -336.232 PRESSAVG: 2357000 7.52277 -14.0239 31.6848 -14.0239 -5.75118 38.2779 31.6848 38.2779 -10.1111 GPRESSAVG: 2357000 6.65418 -12.9977 30.006 -13.2808 -4.90703 37.6728 31.2298 38.6823 -9.84627 TIMING: 2357000 CPU: 7363.43, 0.00313049/step Wall: 7363.43, 0.00313049/step, 2.2983 hours remaining, 235.855469 MB of memory in use. ENERGY: 2357000 4045.9165 20611.0321 14433.6840 255.9416 -203609.6348 2848.6878 0.0000 0.0000 52037.6120 -109376.7607 299.0609 -161414.3727 -109018.6020 298.8508 -204.0437 -178.4878 761182.2113 -2.7798 -2.6997 PRESSURE: 2357200 95.0834 -77.4598 87.4248 -77.4608 -138.58 299.377 87.424 299.376 -119.641 GPRESSURE: 2357200 123.984 -35.5173 57.6677 13.011 -51.8723 244.777 129.899 265.918 -149.899 PRESSAVG: 2357200 -14.5703 -20.0396 29.3211 -20.0396 22.1426 25.4531 29.3211 25.4532 -5.02009 GPRESSAVG: 2357200 -13.7112 -21.1882 31.0239 -20.8599 21.5353 27.7531 26.9652 24.0669 -4.98188 TIMING: 2357200 CPU: 7364.05, 0.00311384/step Wall: 7364.05, 0.00311384/step, 2.2859 hours remaining, 235.855469 MB of memory in use. ENERGY: 2357200 3986.7014 20567.0785 14468.8324 255.0058 -203594.7958 2827.6499 0.0000 0.0000 51936.1749 -109553.3528 298.4779 -161489.5277 -109181.2406 299.1363 -54.3791 -25.9293 760765.5105 0.8507 0.9474 PRESSURE: 2357400 243.386 60.5888 -308.432 60.5892 104.127 -103.975 -308.432 -103.976 726.072 GPRESSURE: 2357400 382.599 5.07575 -285.611 106.682 52.9622 -103.546 -219.346 -13.559 727.785 PRESSAVG: 2357400 21.2698 13.6473 -31.0486 13.6472 36.4421 3.8977 -31.0486 3.89777 6.38893 GPRESSAVG: 2357400 21.3821 14.4995 -31.8409 13.7949 36.4364 3.20568 -30.5288 5.88195 6.29234 TIMING: 2357400 CPU: 7364.68, 0.0031264/step Wall: 7364.68, 0.0031264/step, 2.29495 hours remaining, 235.855469 MB of memory in use. ENERGY: 2357400 4004.6936 20694.0479 14437.9210 254.9353 -204054.9722 3146.8614 0.0000 0.0000 51859.2581 -109657.2548 298.0359 -161516.5129 -109293.4568 299.2023 357.8619 387.7820 759581.6157 21.3669 21.3703 PRESSURE: 2357600 -79.9261 -257.044 6.8523 -257.044 -142.157 -63.0008 6.85076 -62.9994 -175.001 GPRESSURE: 2357600 11.1231 -184.96 43.0553 -241.797 -69.5454 -82.9929 22.831 -89.9791 -244.324 PRESSAVG: 2357600 -53.9408 -8.95207 -0.368875 -8.95208 12.2686 -33.4893 -0.368834 -33.4893 6.31436 GPRESSAVG: 2357600 -53.9423 -11.276 -1.90383 -9.24904 11.0144 -33.3044 1.85899 -36.4231 7.42545 TIMING: 2357600 CPU: 7365.3, 0.00311739/step Wall: 7365.3, 0.00311739/step, 2.28816 hours remaining, 235.855469 MB of memory in use. ENERGY: 2357600 4018.7423 20508.8505 14379.8671 253.0074 -203662.1660 2872.1130 0.0000 0.0000 52325.6311 -109303.9546 300.7161 -161629.5857 -108936.4765 299.1739 -132.3613 -100.9154 762652.2602 -11.7860 -11.8342 PRESSURE: 2357800 -166.492 -86.273 3.62651 -86.273 -356.055 -100.663 3.6268 -100.663 80.6319 GPRESSURE: 2357800 -180.245 -150.765 6.5263 57.787 -307.134 -68.3086 -30.9478 21.7045 141.556 PRESSAVG: 2357800 10.2008 -15.0968 -46.8573 -15.0968 -33.8898 4.7822 -46.8573 4.78223 -4.93658 GPRESSAVG: 2357800 10.6486 -14.5636 -44.7953 -13.9385 -32.5324 5.26182 -48.8447 4.43056 -6.16757 TIMING: 2357800 CPU: 7365.92, 0.00311899/step Wall: 7365.92, 0.00311899/step, 2.28917 hours remaining, 235.855469 MB of memory in use. ENERGY: 2357800 4026.3245 20694.0707 14430.9684 248.7134 -203461.7566 2614.7993 0.0000 0.0000 52276.9904 -109169.8898 300.4366 -161446.8802 -108805.9614 299.8200 -147.3051 -115.2741 763112.1321 -9.5419 -9.3504 PRESSURE: 2358000 -147.879 -127.999 136.43 -128 -243.275 295.952 136.431 295.952 -102.339 GPRESSURE: 2358000 -95.6327 0.0468665 267.148 -107.847 -233.356 303.729 125.753 309.698 -72.6094 PRESSAVG: 2358000 -54.8479 -43.3827 4.19152 -43.3827 6.87558 21.36 4.19155 21.3601 2.96229 GPRESSAVG: 2358000 -55.1116 -43.023 3.31229 -43.4784 5.9798 21.3613 5.84641 23.8994 4.45019 TIMING: 2358000 CPU: 7366.55, 0.00312227/step Wall: 7366.55, 0.00312227/step, 2.2914 hours remaining, 235.855469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2358000 3999.8441 20699.8973 14385.9253 261.4480 -203561.7988 2595.9637 0.0000 0.0000 52118.8029 -109499.9174 299.5275 -161618.7203 -109142.7903 299.0310 -164.4979 -133.8660 761782.6851 -15.0033 -14.8939 PRESSURE: 2358200 240.318 -38.4551 -47.3708 -38.4554 372.112 -163.141 -47.3714 -163.141 -44.2225 GPRESSURE: 2358200 370.651 -86.287 -69.8709 -50.8056 396.22 -114.939 -43.8418 -112.131 -95.2739 PRESSAVG: 2358200 29.2026 8.13663 19.7117 8.13659 -15.5449 -5.96239 19.7117 -5.96238 4.54703 GPRESSAVG: 2358200 29.932 9.22499 18.2857 6.97219 -14.901 -9.37312 19.708 -6.73429 3.61109 TIMING: 2358200 CPU: 7367.17, 0.00312018/step Wall: 7367.17, 0.00312018/step, 2.28969 hours remaining, 235.855469 MB of memory in use. ENERGY: 2358200 3976.6384 20648.9593 14443.9747 236.9403 -203508.5953 2690.3474 0.0000 0.0000 51975.6617 -109536.0736 298.7048 -161511.7352 -109172.1023 299.0004 189.4025 223.8658 761007.7099 6.0682 6.2140 PRESSURE: 2358400 -110.425 105.729 69.6257 105.73 -94.5665 -175.354 69.6261 -175.353 -45.0796 GPRESSURE: 2358400 -53.8376 101.932 21.0443 53.5555 -106.447 -238.157 45.9511 -159.525 -8.23489 PRESSAVG: 2358400 12.2228 -44.2677 36.2419 -44.2677 -6.74137 -10.5154 36.2419 -10.5153 0.743352 GPRESSAVG: 2358400 10.9123 -43.8827 36.1067 -43.1134 -6.72313 -7.61172 34.4311 -11.4102 2.24605 TIMING: 2358400 CPU: 7367.79, 0.00310272/step Wall: 7367.79, 0.00310272/step, 2.2767 hours remaining, 235.855469 MB of memory in use. ENERGY: 2358400 4053.2136 20731.9720 14382.5524 257.5581 -203380.9292 2568.3196 0.0000 0.0000 52002.8432 -109384.4703 298.8611 -161387.3135 -109027.4226 299.0680 -83.3569 -56.1730 762001.4889 2.0749 2.1451 PRESSURE: 2358600 -56.4973 116.538 16.2467 116.539 57.1349 137.519 16.2468 137.519 -13.2426 GPRESSURE: 2358600 71.2682 106.117 88.8918 15.3391 23.662 97.6995 33.3201 179.082 -32.4912 PRESSAVG: 2358600 -43.3424 -50.0577 -11.9305 -50.0577 45.2149 12.8306 -11.9305 12.8306 -19.6954 GPRESSAVG: 2358600 -43.2419 -49.0641 -9.01453 -51.146 44.8494 11.3794 -11.8782 13.369 -20.008 TIMING: 2358600 CPU: 7368.41, 0.00310412/step Wall: 7368.41, 0.00310412/step, 2.27756 hours remaining, 235.855469 MB of memory in use. ENERGY: 2358600 4006.6265 20641.6666 14406.7986 271.2401 -203442.8198 2493.2835 0.0000 0.0000 52177.2661 -109445.9384 299.8635 -161623.2045 -109080.8589 299.5122 -4.2017 20.8130 761317.5524 -5.9410 -6.1335 PRESSURE: 2358800 -127.874 -2.25698 -28.3447 -2.25618 249.42 49.582 -28.3443 49.5819 -18.7653 GPRESSURE: 2358800 -41.8717 -92.9406 -47.0402 29.6407 260.732 71.6228 -54.6952 -105.121 -37.7446 PRESSAVG: 2358800 57.7074 28.1674 -15.9077 28.1674 -13.4572 47.0267 -15.9077 47.0267 9.33002 GPRESSAVG: 2358800 56.6295 26.0424 -18.6272 27.7783 -12.6438 47.3509 -16.7087 46.8336 9.17915 TIMING: 2358800 CPU: 7369.04, 0.00312243/step Wall: 7369.04, 0.00312243/step, 2.29082 hours remaining, 235.992188 MB of memory in use. ENERGY: 2358800 4013.0054 20578.6283 14389.2259 242.3818 -203543.8219 2861.4677 0.0000 0.0000 51936.7977 -109522.3152 298.4815 -161459.1129 -109170.6765 299.0879 34.2603 60.3719 762000.2377 17.8601 17.7216 PRESSURE: 2359000 -348.263 -69.6751 -118.67 -69.6749 -405.335 -265.366 -118.67 -265.367 -364.023 GPRESSURE: 2359000 -277.148 5.1449 -150.344 -75.113 -397.7 -198.161 -77.4491 -310.907 -360.646 PRESSAVG: 2359000 -20.0056 10.4519 35.2778 10.452 1.87871 -4.51813 35.2778 -4.51809 -3.95162 GPRESSAVG: 2359000 -19.1169 11.9664 35.9493 9.46316 1.03903 -4.76619 36.2598 -4.61389 -4.43547 TIMING: 2359000 CPU: 7369.66, 0.00311134/step Wall: 7369.66, 0.00311134/step, 2.28251 hours remaining, 235.992188 MB of memory in use. ENERGY: 2359000 4073.7007 20665.4591 14406.0121 244.7819 -203384.7260 2390.1069 0.0000 0.0000 52068.5617 -109536.1037 299.2387 -161604.6653 -109171.9475 299.1424 -372.5404 -345.1647 761783.9931 -7.3595 -7.5044 PRESSURE: 2359200 -193.43 -150.817 -148.792 -150.817 -5.21751 -43.9718 -148.792 -43.972 -291.845 GPRESSURE: 2359200 -138.636 -28.8298 -109.472 -28.1519 40.7762 -2.41623 -111.34 -35.5824 -303.347 PRESSAVG: 2359200 -71.7493 -11.2415 25.8903 -11.2415 81.3094 46.8061 25.8904 46.8062 -5.03814 GPRESSAVG: 2359200 -72.1126 -11.9699 24.6112 -8.90666 81.3441 47.8511 27.6018 46.0389 -4.23576 TIMING: 2359200 CPU: 7370.28, 0.00309778/step Wall: 7370.28, 0.00309778/step, 2.27239 hours remaining, 235.992188 MB of memory in use. ENERGY: 2359200 4036.9401 20567.6656 14397.0610 249.6225 -203220.0727 2520.5586 0.0000 0.0000 51933.4875 -109514.7375 298.4625 -161448.2250 -109163.6756 298.5352 -163.4974 -133.7355 762544.4793 1.5073 1.6653 PRESSURE: 2359400 -57.5984 -70.999 133.531 -70.9999 -162.058 147.709 133.531 147.708 -277.397 GPRESSURE: 2359400 -67.1122 -156.7 249.566 -117.254 -117.996 155.308 17.0919 183.424 -255.079 PRESSAVG: 2359400 -1.04264 41.9516 -22.5015 41.9516 -8.28129 35.0391 -22.5014 35.039 -1.79167 GPRESSAVG: 2359400 -1.11574 41.7234 -20.2372 41.9916 -7.95475 35.4353 -24.2751 38.3407 -2.23436 TIMING: 2359400 CPU: 7370.9, 0.00310596/step Wall: 7370.9, 0.00310596/step, 2.27822 hours remaining, 235.992188 MB of memory in use. ENERGY: 2359400 4007.3317 20504.5190 14429.0683 234.8094 -203281.9520 2757.9848 0.0000 0.0000 51917.9358 -109430.3030 298.3731 -161348.2388 -109059.6792 298.8484 -165.6845 -146.7291 762565.0304 -3.7052 -3.7683 PRESSURE: 2359600 -12.2791 -122.349 1.43074 -122.349 242.887 6.43915 1.43152 6.43883 -237.082 GPRESSURE: 2359600 52.4011 -179.949 -31.1761 -85.9224 179.099 -99.4387 22.9062 -82.114 -150.246 PRESSAVG: 2359600 20.1228 -5.19835 -10.3157 -5.19835 -54.0343 29.8868 -10.3157 29.8868 -37.1707 GPRESSAVG: 2359600 19.751 -4.40011 -10.6024 -5.19792 -54.0594 29.3416 -10.3956 26.2632 -36.9356 TIMING: 2359600 CPU: 7371.52, 0.00310942/step Wall: 7371.52, 0.00310942/step, 2.28059 hours remaining, 235.992188 MB of memory in use. ENERGY: 2359600 3943.3757 20479.4764 14506.8827 241.2793 -203227.4076 2685.9851 0.0000 0.0000 51997.5018 -109372.9064 298.8304 -161370.4083 -109003.2828 299.1004 -2.1582 27.0844 762322.8080 -23.6941 -23.7480 PRESSURE: 2359800 -377.042 -78.8005 -85.8622 -78.8013 -238.28 13.8691 -85.8614 13.8684 -76.9778 GPRESSURE: 2359800 -356.074 -133.304 -48.1221 -2.39557 -219.196 53.5245 -12.2229 74.5943 -33.7043 PRESSAVG: 2359800 -14.0695 -27.2849 -5.97176 -27.285 -9.72999 21.8365 -5.9717 21.8364 -16.7768 GPRESSAVG: 2359800 -14.0065 -27.1481 -6.85168 -29.024 -9.9137 21.6709 -6.47869 21.517 -16.7955 TIMING: 2359800 CPU: 7372.15, 0.0031271/step Wall: 7372.15, 0.0031271/step, 2.29338 hours remaining, 235.992188 MB of memory in use. ENERGY: 2359800 4000.3128 20492.0594 14451.1553 262.0360 -203061.0636 2358.4369 0.0000 0.0000 52176.7701 -109320.2932 299.8606 -161497.0633 -108960.1544 299.2340 -230.7666 -202.9916 762027.0125 -13.5254 -13.5719 PRESSURE: 2360000 -406.856 43.2964 47.2217 43.297 -320.941 28.9085 47.2221 28.9081 -56.9043 GPRESSURE: 2360000 -352.94 75.9293 -45.644 150.055 -244.892 37.6768 29.1126 34.0706 -92.922 PRESSAVG: 2360000 58.6391 -35.8064 -6.601 -35.8064 -21.7504 8.0111 -6.60099 8.01116 6.83893 GPRESSAVG: 2360000 58.3593 -37.2299 -6.71906 -32.7939 -22.3573 8.37604 -6.13645 9.97589 6.6822 TIMING: 2360000 CPU: 7372.77, 0.00309864/step Wall: 7372.77, 0.00309864/step, 2.27234 hours remaining, 235.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2360000 3925.2705 20574.1228 14457.8256 248.3236 -203050.6305 2403.6524 0.0000 0.0000 52178.6485 -109262.7871 299.8714 -161441.4356 -108906.5968 299.4904 -261.5671 -230.2513 762764.9308 14.5759 14.2281 PRESSURE: 2360200 59.8048 13.9161 -62.751 13.917 -98.7861 -53.9232 -62.751 -53.9225 117.744 GPRESSURE: 2360200 59.8873 117.377 47.1475 -79.6893 -1.50515 -34.1235 2.56254 -203.735 107.394 PRESSAVG: 2360200 14.9742 -27.6128 -3.54572 -27.6128 -83.0021 -6.91749 -3.54577 -6.91747 -27.5205 GPRESSAVG: 2360200 15.1228 -24.4313 -2.62392 -30.1422 -82.9914 -7.58561 -2.32984 -7.76552 -27.7675 TIMING: 2360200 CPU: 7373.39, 0.00312247/step Wall: 7373.39, 0.00312247/step, 2.28964 hours remaining, 235.992188 MB of memory in use. ENERGY: 2360200 4006.2629 20497.0180 14425.5909 263.3147 -203454.3545 2712.2872 0.0000 0.0000 52055.3814 -109494.4994 299.1630 -161549.8808 -109132.1400 299.2359 26.2543 55.2586 762029.6077 -31.8495 -31.8787 LDB: ============= START OF LOAD BALANCING ============== 7385.87 LDB: ============== END OF LOAD BALANCING =============== 7385.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7385.87 LDB: ============= START OF LOAD BALANCING ============== 7386.18 LDB: Largest compute 7062 load 0.029206 is 15.0% of average load 0.195138 LDB: Average compute 0.004400 is 2.3% of average load 0.195138 LDB: TIME 7386.19 LOAD: AVG 0.195138 MAX 0.218397 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.582 MB LDB: TIME 7386.19 LOAD: AVG 0.195138 MAX 0.218397 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.582 MB LDB: TIME 7386.19 LOAD: AVG 0.195138 MAX 0.217162 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.582 MB LDB: ============== END OF LOAD BALANCING =============== 7386.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7386.19 PRESSURE: 2360400 -191.89 -82.7838 -4.56336 -82.7843 -155.156 -242.09 -4.56303 -242.09 -402.037 GPRESSURE: 2360400 -200.438 -79.6519 -12.1395 24.9869 -96.6655 -223.991 -16.4139 -278.594 -358.689 PRESSAVG: 2360400 -24.0478 -9.22798 -33.0108 -9.22797 -21.2751 20.9898 -33.0108 20.9897 11.9006 GPRESSAVG: 2360400 -24.317 -12.9101 -34.2252 -7.42173 -20.5732 20.5161 -34.8282 22.0336 11.3567 TIMING: 2360400 CPU: 7374.03, 0.00318477/step Wall: 7374.03, 0.00318477/step, 2.33514 hours remaining, 234.253906 MB of memory in use. ENERGY: 2360400 3989.5912 20605.2463 14431.2601 244.9061 -203172.7074 2373.8690 0.0000 0.0000 52019.8846 -109507.9501 298.9590 -161527.8347 -109150.6094 299.5577 -249.6947 -218.5975 762249.7404 -11.1408 -11.1778 PRESSURE: 2360600 -143.984 -143.082 -144.636 -143.082 -336.163 220.617 -144.637 220.618 -211.066 GPRESSURE: 2360600 -16.0151 -117.908 -61.097 -96.3135 -303.626 170.463 -172.152 107.515 -285.583 PRESSAVG: 2360600 10.0639 -20.4547 -3.70728 -20.4547 -21.6507 14.7736 -3.70726 14.7737 -20.0472 GPRESSAVG: 2360600 11.3782 -19.2449 -2.15908 -21.0304 -22.3256 15.9212 -0.734167 13.1173 -20.2711 TIMING: 2360600 CPU: 7374.65, 0.00311345/step Wall: 7374.65, 0.00311345/step, 2.28268 hours remaining, 234.457031 MB of memory in use. ENERGY: 2360600 4007.2698 20548.9200 14407.3263 241.2726 -203292.8287 2496.8204 0.0000 0.0000 52064.6372 -109526.5824 299.2162 -161591.2196 -109160.4871 298.9499 -230.4044 -201.7413 762408.5906 -10.5447 -10.4062 PRESSURE: 2360800 -347.65 16.8179 222.107 16.8183 -182.521 111.045 222.107 111.046 -423.404 GPRESSURE: 2360800 -347.635 -33.4501 96.0369 66.3594 -45.365 54.5197 293.363 41.1195 -477.89 PRESSAVG: 2360800 -9.13016 8.0112 2.87544 8.01124 -16.2492 37.115 2.87546 37.1149 3.01283 GPRESSAVG: 2360800 -9.1348 7.8916 2.73665 6.62221 -16.1571 36.7632 1.11306 37.7763 3.28435 TIMING: 2360800 CPU: 7375.28, 0.00311723/step Wall: 7375.28, 0.00311723/step, 2.28527 hours remaining, 234.457031 MB of memory in use. ENERGY: 2360800 4034.4791 20756.3990 14355.2654 264.4942 -203356.3615 2519.8578 0.0000 0.0000 51769.0986 -109656.7673 297.5177 -161425.8659 -109298.5570 298.8024 -317.8585 -290.2965 761761.1490 -7.4555 -7.3358 PRESSURE: 2361000 74.3952 -153.088 -82.5692 -153.087 175.957 175.036 -82.5695 175.035 385.255 GPRESSURE: 2361000 184.86 -243.139 -151.711 -179.699 117.954 173.983 -86.6304 219.78 420.747 PRESSAVG: 2361000 -27.2335 -15.2257 14.3103 -15.2257 8.60248 65.9292 14.3103 65.9292 7.9845 GPRESSAVG: 2361000 -28.3475 -13.9932 15.3331 -14.5508 9.42703 64.7626 12.2102 66.0405 8.38265 TIMING: 2361000 CPU: 7375.9, 0.00312708/step Wall: 7375.9, 0.00312708/step, 2.29232 hours remaining, 234.457031 MB of memory in use. ENERGY: 2361000 4022.1519 20439.8387 14408.1302 250.2177 -203312.8184 2676.5075 0.0000 0.0000 51968.8077 -109547.1646 298.6655 -161515.9724 -109190.1518 298.5353 211.8691 241.1868 761572.4997 -3.5488 -3.5126 PRESSURE: 2361200 -114.269 -135.471 59.5018 -135.472 -369.803 -58.0313 59.5007 -58.0319 -197.256 GPRESSURE: 2361200 -119.204 -149.559 -57.3947 -74.3534 -250.974 -10.5129 129.185 -1.57888 -241.19 PRESSAVG: 2361200 40.8564 7.35813 28.907 7.35813 -74.2906 24.673 28.907 24.673 -14.5593 GPRESSAVG: 2361200 42.3056 4.51116 27.6001 8.37549 -74.6398 26.5301 30.4696 26.0551 -15.7224 TIMING: 2361200 CPU: 7376.52, 0.00310743/step Wall: 7376.52, 0.00310743/step, 2.27775 hours remaining, 234.457031 MB of memory in use. ENERGY: 2361200 4014.5893 20498.7534 14435.0041 251.9339 -203531.7737 2782.0379 0.0000 0.0000 52026.6243 -109522.8309 298.9977 -161549.4552 -109173.0174 298.9680 -227.1094 -203.7895 762634.3881 -15.9978 -16.0189 PRESSURE: 2361400 -108.938 -78.52 -55.6514 -78.5205 8.5586 -8.84239 -55.6507 -8.84277 -172.078 GPRESSURE: 2361400 -85.3822 -99.9826 -41.5254 -95.9343 64.6784 -11.3325 42.4556 -4.18042 -175.957 PRESSAVG: 2361400 15.1158 42.8391 -11.0401 42.8391 -11.2378 36.6386 -11.0402 36.6386 6.46688 GPRESSAVG: 2361400 14.7277 44.2389 -10.8788 41.6821 -10.323 36.5887 -11.8906 35.7774 6.54792 TIMING: 2361400 CPU: 7377.15, 0.00312292/step Wall: 7377.15, 0.00312292/step, 2.28893 hours remaining, 234.457031 MB of memory in use. ENERGY: 2361400 4024.7763 20482.1870 14411.5010 258.4431 -203472.7042 2700.8951 0.0000 0.0000 52089.2901 -109505.6116 299.3579 -161594.9017 -109141.2913 298.8899 -90.8194 -65.5536 763107.6788 3.4483 3.6508 PRESSURE: 2361600 7.3748 94.8219 128.856 94.8217 -250.131 -149.753 128.857 -149.753 108.584 GPRESSURE: 2361600 52.6247 105.995 159.391 72.646 -273.357 -106.998 168.132 56.516 186.501 PRESSAVG: 2361600 84.0262 13.1001 38.4028 13.1 -34.2115 42.028 38.4029 42.0282 -0.0878584 GPRESSAVG: 2361600 83.1467 13.4527 39.3636 13.1268 -34.439 42.0328 40.7796 41.956 0.753409 TIMING: 2361600 CPU: 7377.77, 0.00312253/step Wall: 7377.77, 0.00312253/step, 2.28847 hours remaining, 234.457031 MB of memory in use. ENERGY: 2361600 3941.3146 20593.2692 14361.8145 223.2563 -203189.2502 2520.5405 0.0000 0.0000 51961.0730 -109587.9820 298.6210 -161549.0550 -109244.6048 299.1608 -44.7241 -11.4103 761832.2590 16.5756 16.4871 PRESSURE: 2361800 -101.402 118.254 127.445 118.255 -55.6559 56.8419 127.445 56.8428 98.3595 GPRESSURE: 2361800 -136.142 141.633 107.142 127.665 43.3349 -27.5414 -30.7026 142.817 134.511 PRESSAVG: 2361800 -3.60795 66.3868 28.7528 66.3868 8.43501 24.6167 28.7527 24.6167 -7.03359 GPRESSAVG: 2361800 -3.83091 64.5145 28.9607 66.1146 8.55632 23.5291 28.9229 26.2706 -7.12823 TIMING: 2361800 CPU: 7378.4, 0.00312087/step Wall: 7378.4, 0.00312087/step, 2.28708 hours remaining, 234.457031 MB of memory in use. ENERGY: 2361800 3925.0986 20550.3899 14344.1110 261.0395 -203517.2342 2726.9689 0.0000 0.0000 52298.1415 -109411.4849 300.5581 -161709.6263 -109041.1161 298.9581 -19.5661 13.9014 760968.4776 -0.7355 -0.8009 PRESSURE: 2362000 -215.153 28.002 -104.5 28.0022 155.437 -63.7668 -104.5 -63.7684 -54.9935 GPRESSURE: 2362000 -157.222 11.8661 -118.446 -62.9504 186.351 -36.8193 -42.4012 -108.389 -56.0096 PRESSAVG: 2362000 29.689 22.1319 65.687 22.1321 -20.7429 28.4951 65.687 28.4951 11.8977 GPRESSAVG: 2362000 30.6669 22.683 64.9151 23.5656 -21.5311 28.9462 64.5161 27.3434 12.2386 TIMING: 2362000 CPU: 7379.01, 0.00309536/step Wall: 7379.01, 0.00309536/step, 2.26821 hours remaining, 234.457031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2362000 3921.4354 20682.5550 14450.1805 236.9751 -203625.3911 2766.0921 0.0000 0.0000 51991.0017 -109577.1513 298.7930 -161568.1530 -109212.2900 298.9314 -38.2365 -8.9602 759214.4222 6.9479 7.1248 PRESSURE: 2362200 -116.377 118.733 -95.2457 118.732 -25.5435 231.069 -95.2458 231.069 182.661 GPRESSURE: 2362200 44.9295 90.1208 -103.312 129.22 -65.9764 147.434 -85.3071 280.299 142.497 PRESSAVG: 2362200 -49.6639 13.2976 -32.6401 13.2976 23.5177 52.2146 -32.6401 52.2146 -26.8355 GPRESSAVG: 2362200 -48.3776 12.4754 -33.2735 13.2919 22.7401 51.3557 -33.3053 52.4698 -26.6494 TIMING: 2362200 CPU: 7379.63, 0.00310146/step Wall: 7379.63, 0.00310146/step, 2.27251 hours remaining, 234.457031 MB of memory in use. ENERGY: 2362200 3985.2151 20408.9520 14439.0982 253.7025 -203803.8615 2883.2675 0.0000 0.0000 51990.3631 -109843.2632 298.7893 -161833.6263 -109477.8848 298.3558 13.5803 40.4833 761555.4123 -17.6605 -17.4290 PRESSURE: 2362400 -52.9253 132.881 -202.268 132.881 544.71 -90.1701 -202.268 -90.17 -55.838 GPRESSURE: 2362400 2.69298 58.8979 -200.443 116.661 496.649 -168.946 -51.0363 -67.4226 1.88968 PRESSAVG: 2362400 -11.9981 64.5673 51.801 64.5673 -47.6491 27.7976 51.801 27.7977 -14.0498 GPRESSAVG: 2362400 -13.6937 64.7295 51.6363 65.6007 -46.4682 28.2834 53.7766 29.0032 -13.1068 TIMING: 2362400 CPU: 7380.26, 0.00311483/step Wall: 7380.26, 0.00311483/step, 2.28213 hours remaining, 234.457031 MB of memory in use. ENERGY: 2362400 3929.1492 20513.3176 14412.9020 237.9694 -203909.0378 2802.7926 0.0000 0.0000 52025.5082 -109987.3987 298.9913 -162012.9069 -109622.7043 298.2234 145.3157 167.0771 761323.1438 -24.5657 -24.4229 PRESSURE: 2362600 29.7156 3.91009 -66.4121 3.90943 101.77 -196.318 -66.412 -196.317 74.7858 GPRESSURE: 2362600 152.372 23.0674 -49.8623 183.124 130.636 -119.155 27.232 46.1419 13.401 PRESSAVG: 2362600 13.9424 -19.7913 15.1194 -19.7914 -5.56141 -16.0779 15.1194 -16.0778 -1.86562 GPRESSAVG: 2362600 15.1455 -19.9402 16.6144 -19.3395 -4.82931 -16.1478 13.0584 -18.6995 -3.6901 TIMING: 2362600 CPU: 7380.88, 0.00311338/step Wall: 7380.88, 0.00311338/step, 2.2809 hours remaining, 234.457031 MB of memory in use. ENERGY: 2362600 3995.9511 20486.6075 14365.3191 257.4436 -203529.2278 2839.9421 0.0000 0.0000 51739.9733 -109843.9912 297.3503 -161583.9646 -109480.1523 298.4740 68.7571 98.8030 763287.1467 2.1718 2.2087 PRESSURE: 2362800 68.4306 116.811 405.136 116.811 -123.292 1.89694 405.137 1.89611 -341.276 GPRESSURE: 2362800 99.224 7.07502 360.55 114.9 -144.229 70.5684 305.883 78.8373 -242.672 PRESSAVG: 2362800 6.6371 42.6462 20.0584 42.6462 -43.8602 38.0463 20.0584 38.0463 12.5146 GPRESSAVG: 2362800 4.86197 41.2119 18.6751 41.8043 -43.8635 36.8531 20.9238 39.0819 14.5182 TIMING: 2362800 CPU: 7381.5, 0.00310958/step Wall: 7381.5, 0.00310958/step, 2.27794 hours remaining, 234.457031 MB of memory in use. ENERGY: 2362800 4020.8789 20567.2089 14452.4593 223.1693 -203568.2277 2645.5164 0.0000 0.0000 51773.5545 -109885.4404 297.5433 -161658.9949 -109530.8169 298.2629 -132.0456 -95.8923 761686.3719 -8.2362 -8.1611 PRESSURE: 2363000 -106.833 376.259 43.151 376.259 -85.0939 242.972 43.1527 242.973 70.7399 GPRESSURE: 2363000 -237.41 392.312 29.6934 285.377 109.582 207.799 91.1461 310.313 99.6397 PRESSAVG: 2363000 52.8195 60.1395 -5.53553 60.1395 -12.407 29.3415 -5.53547 29.3416 -11.9497 GPRESSAVG: 2363000 52.738 62.1115 -3.71195 59.0849 -11.7133 31.2936 -5.16652 28.2121 -12.1413 TIMING: 2363000 CPU: 7382.13, 0.00311692/step Wall: 7382.13, 0.00311692/step, 2.28314 hours remaining, 234.457031 MB of memory in use. ENERGY: 2363000 3987.6028 20561.1571 14441.0348 226.3977 -203613.7500 2612.5119 0.0000 0.0000 51855.9179 -109929.1278 298.0167 -161785.0456 -109566.3839 297.7786 -40.3958 -9.3964 761914.0720 9.4876 9.6278 PRESSURE: 2363200 -233.662 45.7909 -238.782 45.7919 -248.192 50.7101 -238.782 50.7104 137.837 GPRESSURE: 2363200 -216.094 -0.530373 -231.247 66.8571 -262.346 4.83387 -225.217 179.712 214.637 PRESSAVG: 2363200 55.8516 96.8907 12.3389 96.8907 -45.9178 12.445 12.339 12.4451 -4.33453 GPRESSAVG: 2363200 56.7365 97.8772 11.1838 95.6738 -47.5439 12.3622 10.8696 12.6754 -3.54149 TIMING: 2363200 CPU: 7382.75, 0.00313026/step Wall: 7382.75, 0.00313026/step, 2.29274 hours remaining, 234.457031 MB of memory in use. ENERGY: 2363200 3912.7488 20576.3463 14481.7022 237.2482 -203312.8035 2282.2591 0.0000 0.0000 51940.0091 -109882.4898 298.4999 -161822.4989 -109520.9428 297.6096 -114.6722 -87.9342 762641.9437 1.8664 1.8837 PRESSURE: 2363400 6.62986 -3.93543 170.584 -3.93588 50.5044 40.1292 170.584 40.1307 -165.711 GPRESSURE: 2363400 33.5571 105.231 205.325 -0.604204 96.0458 3.51327 185.83 -13.1398 -153.61 PRESSAVG: 2363400 66.6647 36.0133 -8.81157 36.0133 -46.5206 10.9814 -8.81155 10.9814 -21.2993 GPRESSAVG: 2363400 67.805 34.9844 -7.51472 36.5652 -46.408 10.8469 -8.73232 10.1883 -22.5085 TIMING: 2363400 CPU: 7383.37, 0.00311017/step Wall: 7383.37, 0.00311017/step, 2.27785 hours remaining, 234.457031 MB of memory in use. ENERGY: 2363400 3977.3530 20539.2844 14453.4745 228.6287 -203342.4381 2488.6496 0.0000 0.0000 51936.8198 -109718.2281 298.4816 -161655.0479 -109353.7929 298.2713 -36.1924 -8.0025 762145.2009 -0.3851 -0.3705 PRESSURE: 2363600 -14.3363 230.561 -118.677 230.56 -167.587 94.9956 -118.677 94.9955 -440.595 GPRESSURE: 2363600 -39.4798 97.2379 -150.66 278.363 -99.1259 20.2236 -33.5349 154.772 -377.249 PRESSAVG: 2363600 113.458 39.5389 -28.7584 39.5389 -23.2803 3.01432 -28.7584 3.01434 40.4656 GPRESSAVG: 2363600 112.096 40.4504 -31.0669 40.9865 -22.6378 3.26245 -27.1912 3.75795 41.6009 TIMING: 2363600 CPU: 7383.99, 0.00309343/step Wall: 7383.99, 0.00309343/step, 2.26542 hours remaining, 234.457031 MB of memory in use. ENERGY: 2363600 4050.4971 20609.7872 14399.6455 247.4138 -203113.6248 2467.5145 0.0000 0.0000 51590.6828 -109748.0839 296.4924 -161338.7667 -109389.2208 298.3475 -207.5060 -171.9515 761739.9851 43.5476 43.6863 PRESSURE: 2363800 -200.363 31.0314 -4.30462 31.0323 170.957 -245.272 -4.30481 -245.272 -68.4462 GPRESSURE: 2363800 -150.948 0.73633 12.2646 -46.0713 158.017 -110.959 -109.06 -180.468 -7.20885 PRESSAVG: 2363800 -37.0595 11.163 6.03249 11.1629 5.27553 -31.8809 6.0325 -31.881 -46.4288 GPRESSAVG: 2363800 -36.7145 10.9195 6.89461 9.85475 5.17412 -31.8548 5.60066 -31.6662 -46.7161 TIMING: 2363800 CPU: 7384.62, 0.00312202/step Wall: 7384.62, 0.00312201/step, 2.28618 hours remaining, 234.457031 MB of memory in use. ENERGY: 2363800 4049.2104 20397.4331 14474.6181 236.5846 -203299.7521 2684.0570 0.0000 0.0000 51814.6509 -109643.1981 297.7795 -161457.8490 -109281.3447 298.5351 -32.6176 -0.0465 760998.0314 -26.0709 -26.0855 PRESSURE: 2364000 -84.8032 41.4544 157.072 41.4548 141.002 21.2165 157.071 21.2163 67.4411 GPRESSURE: 2364000 -51.0792 43.3717 152.339 72.5116 174.918 114.244 168.925 -50.3211 77.6956 PRESSAVG: 2364000 0.649841 61.717 5.30386 61.7169 -10.9754 -49.0387 5.30387 -49.0388 18.2275 GPRESSAVG: 2364000 1.37184 60.5593 5.96938 64.8847 -10.3092 -50.0533 3.45363 -49.1129 17.4955 TIMING: 2364000 CPU: 7385.24, 0.00311875/step Wall: 7385.24, 0.00311875/step, 2.28362 hours remaining, 234.457031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2364000 4006.0714 20748.9865 14446.9461 248.1497 -203605.7736 2720.7720 0.0000 0.0000 51769.2362 -109665.6117 297.5185 -161434.8480 -109316.6498 298.6624 41.2133 67.1782 760520.0503 2.6340 2.8527 PRESSURE: 2364200 -421.033 219.655 14.7685 219.655 61.7846 289.471 14.7685 289.471 -294.371 GPRESSURE: 2364200 -290.877 96.5799 -61.0777 179.226 41.6559 250.022 -113.89 315.433 -314.601 PRESSAVG: 2364200 -28.1091 -45.5889 -46.2596 -45.589 26.363 -3.54448 -46.2597 -3.54441 -14.1786 GPRESSAVG: 2364200 -27.9859 -43.9839 -46.8311 -48.1089 25.9063 -3.5663 -46.3762 -4.66725 -13.9595 TIMING: 2364200 CPU: 7385.86, 0.00310816/step Wall: 7385.86, 0.00310816/step, 2.27569 hours remaining, 234.457031 MB of memory in use. ENERGY: 2364200 4062.3237 20575.9993 14405.9159 248.8529 -203609.0604 2778.2043 0.0000 0.0000 51848.3174 -109689.4469 297.9730 -161537.7644 -109336.1455 299.0053 -217.8732 -187.9408 760709.7995 -5.3083 -5.3464 LDB: ============= START OF LOAD BALANCING ============== 7398.34 LDB: ============== END OF LOAD BALANCING =============== 7398.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7398.34 LDB: ============= START OF LOAD BALANCING ============== 7398.65 LDB: Largest compute 7069 load 0.031959 is 16.4% of average load 0.195158 LDB: Average compute 0.004362 is 2.2% of average load 0.195158 LDB: TIME 7398.65 LOAD: AVG 0.195158 MAX 0.217286 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.742 MB LDB: TIME 7398.65 LOAD: AVG 0.195158 MAX 0.217286 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.836 MB LDB: TIME 7398.65 LOAD: AVG 0.195158 MAX 0.217286 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.836 MB LDB: ============== END OF LOAD BALANCING =============== 7398.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7398.66 PRESSURE: 2364400 -72.6382 129.232 70.1068 129.232 -302.219 -42.8655 70.1073 -42.8647 -270.995 GPRESSURE: 2364400 -14.5254 49.621 139.718 110.106 -217.652 -11.9387 115.44 96.2628 -304.626 PRESSAVG: 2364400 -9.6715 10.9989 -17.0978 10.9989 -7.60913 5.56217 -17.0978 5.5622 3.01632 GPRESSAVG: 2364400 -9.19235 10.3326 -17.0157 10.5021 -8.26275 5.62286 -15.7404 7.86604 3.21947 TIMING: 2364400 CPU: 7386.5, 0.0031665/step Wall: 7386.5, 0.0031665/step, 2.31823 hours remaining, 235.593750 MB of memory in use. ENERGY: 2364400 4014.9615 20340.8705 14413.5478 242.1555 -203552.7414 2881.5014 0.0000 0.0000 52297.2502 -109362.4545 300.5530 -161659.7048 -108998.1890 299.0894 -215.2841 -178.9343 762285.4180 -4.7548 -4.7452 PRESSURE: 2364600 116.233 77.6801 -52.25 77.68 1.09736 95.9147 -52.2501 95.9146 307.53 GPRESSURE: 2364600 54.3971 67.277 16.676 113.438 157.64 62.4038 -256.925 88.5177 310.027 PRESSAVG: 2364600 -51.0439 39.459 -12.108 39.459 30.8432 -25.0269 -12.108 -25.0269 26.7969 GPRESSAVG: 2364600 -52.615 38.3926 -11.8153 42.2978 32.7544 -24.6551 -12.9448 -26.9426 26.272 TIMING: 2364600 CPU: 7387.11, 0.00309667/step Wall: 7387.11, 0.00309667/step, 2.26693 hours remaining, 235.593750 MB of memory in use. ENERGY: 2364600 4053.2166 20505.2991 14479.2500 235.8630 -203448.9156 2938.7663 0.0000 0.0000 52104.9724 -109131.5482 299.4480 -161236.5206 -108765.2974 299.8112 141.6203 174.0214 762444.4844 2.1987 2.1371 PRESSURE: 2364800 216.73 29.07 -131.438 29.0702 212.119 -47.6798 -131.438 -47.681 156.38 GPRESSURE: 2364800 250.57 20.9277 -208.252 -47.9242 308.699 -111.884 -65.2103 -92.1685 120.647 PRESSAVG: 2364800 10.8823 44.6956 -6.98454 44.6956 -25.2461 27.1641 -6.98453 27.1641 8.96298 GPRESSAVG: 2364800 11.7174 45.7724 -6.41595 43.473 -27.1844 27.4297 -7.14369 26.829 9.87235 TIMING: 2364800 CPU: 7387.74, 0.00310402/step Wall: 7387.74, 0.00310402/step, 2.27214 hours remaining, 235.593750 MB of memory in use. ENERGY: 2364800 3996.5413 20468.8217 14499.2915 237.2042 -203231.3295 2777.1587 0.0000 0.0000 52067.2274 -109185.0845 299.2311 -161252.3119 -108824.4416 299.3406 195.0766 226.6388 761195.8551 -1.8003 -1.8649 PRESSURE: 2365000 -4.21151 26.0171 -105.448 26.017 -59.0307 -160.266 -105.448 -160.267 -56.8878 GPRESSURE: 2365000 63.4299 67.4777 -162.671 29.7985 -46.1926 -211.243 -49.4428 -196.69 -41.254 PRESSAVG: 2365000 22.219 37.3809 7.9149 37.3808 -37.3963 -56.6156 7.91492 -56.6156 -11.9399 GPRESSAVG: 2365000 22.3547 37.5258 7.46917 36.8046 -36.6499 -56.1019 9.51593 -53.9343 -12.8574 TIMING: 2365000 CPU: 7388.35, 0.00309434/step Wall: 7388.35, 0.00309434/step, 2.26488 hours remaining, 235.593750 MB of memory in use. ENERGY: 2365000 4027.1024 20481.6599 14398.8947 226.1020 -203265.0114 2756.4113 0.0000 0.0000 52034.2474 -109340.5936 299.0415 -161374.8410 -108976.1699 299.4938 -40.0433 -8.0056 760660.9762 -9.0390 -9.0509 PRESSURE: 2365200 -232.159 190.555 -4.45068 190.553 317.769 76.3172 -4.4502 76.3174 -209.829 GPRESSURE: 2365200 -187.355 269.369 -22.584 77.6814 281.338 38.8047 -53.5798 0.299375 -125.927 PRESSAVG: 2365200 -2.29485 27.8278 -3.90769 27.8277 -5.38378 -27.7748 -3.90773 -27.7748 -16.6386 GPRESSAVG: 2365200 -2.15176 28.5617 -4.93978 27.1871 -5.54856 -27.1626 -3.55397 -28.0676 -15.8704 TIMING: 2365200 CPU: 7388.98, 0.00310515/step Wall: 7388.98, 0.00310515/step, 2.27262 hours remaining, 235.593750 MB of memory in use. ENERGY: 2365200 4052.1551 20480.1792 14362.6701 238.9006 -202783.8110 2471.9732 0.0000 0.0000 51705.6268 -109472.3061 297.1529 -161177.9328 -109112.8992 298.9891 -41.4063 -10.6478 761876.5701 -8.1057 -7.8569 PRESSURE: 2365400 -19.2581 -211.788 251.552 -211.787 106.2 47.1624 251.552 47.1612 57.2781 GPRESSURE: 2365400 23.9244 -151.947 316.526 -74.362 116.1 71.7577 221.922 -92.3209 91.8472 PRESSAVG: 2365400 16.869 20.936 -10.7072 20.9359 -66.2297 -65.8234 -10.7073 -65.8235 3.18168 GPRESSAVG: 2365400 15.9328 17.5696 -11.2186 23.4728 -65.7276 -66.5635 -10.6386 -67.2528 3.17692 TIMING: 2365400 CPU: 7389.6, 0.00310446/step Wall: 7389.6, 0.00310446/step, 2.27195 hours remaining, 235.593750 MB of memory in use. ENERGY: 2365400 4000.6437 20371.4390 14382.6381 232.5124 -203318.2912 2771.9227 0.0000 0.0000 52219.9966 -109339.1387 300.1090 -161559.1353 -108967.8306 298.8267 48.0732 77.2904 762774.1248 -15.3930 -15.5393 PRESSURE: 2365600 -187.135 151.694 -119.309 151.694 -112.248 -138.37 -119.309 -138.369 168.772 GPRESSURE: 2365600 -145.882 213.593 -282.008 173.742 -126.95 -107.361 -209.752 -127.384 199.498 PRESSAVG: 2365600 14.4977 26.6436 -20.7384 26.6436 28.213 -63.553 -20.7383 -63.553 -1.71987 GPRESSAVG: 2365600 15.6221 29.7296 -21.7421 24.0899 27.5832 -62.1179 -21.5563 -62.9545 -2.28988 TIMING: 2365600 CPU: 7390.22, 0.00310252/step Wall: 7390.22, 0.00310252/step, 2.27036 hours remaining, 235.593750 MB of memory in use. ENERGY: 2365600 3946.9183 20520.4015 14406.0242 235.5971 -202696.9102 2529.8081 0.0000 0.0000 51850.1734 -109207.9877 297.9837 -161058.1610 -108858.5411 299.2373 -43.5371 -24.4448 764043.8934 13.6636 13.6385 PRESSURE: 2365800 7.60571 204.126 -177.419 204.126 -1.82024 -117.295 -177.419 -117.295 -68.8276 GPRESSURE: 2365800 -28.6831 165.331 -130.475 219.636 8.87455 -56.9826 -196.38 -117.253 35.5322 PRESSAVG: 2365800 4.98203 71.1355 -5.08225 71.1355 11.2028 -31.7164 -5.08227 -31.7165 8.88566 GPRESSAVG: 2365800 3.97322 68.1717 -1.6942 70.5048 10.4314 -32.4321 -7.08487 -32.5267 10.764 TIMING: 2365800 CPU: 7390.84, 0.00311791/step Wall: 7390.84, 0.00311791/step, 2.28144 hours remaining, 235.593750 MB of memory in use. ENERGY: 2365800 3902.2256 20434.9189 14442.6149 258.7769 -203139.6533 2711.3873 0.0000 0.0000 52157.7543 -109231.9754 299.7513 -161389.7297 -108870.6072 298.9431 -21.0140 5.2412 762034.5513 8.3568 8.3895 PRESSURE: 2366000 415.421 100.751 120.384 100.751 82.8822 14.3435 120.384 14.3438 233.257 GPRESSURE: 2366000 422.092 120.233 208.455 208.578 156.029 17.2341 162.148 107.085 222.433 PRESSAVG: 2366000 -0.832719 61.6652 -5.47533 61.6652 -16.6134 11.632 -5.47532 11.6319 28.1445 GPRESSAVG: 2366000 -1.18907 63.8893 -5.66065 62.5757 -16.7235 11.9143 -5.32727 13.5265 28.2784 TIMING: 2366000 CPU: 7391.47, 0.00312348/step Wall: 7391.47, 0.00312348/step, 2.28535 hours remaining, 235.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2366000 3871.7737 20489.1274 14389.4441 247.8565 -203107.1872 2845.2948 0.0000 0.0000 52259.8997 -109003.7909 300.3384 -161263.6906 -108636.6650 299.0831 243.8532 266.8513 763954.6275 3.5661 3.4553 PRESSURE: 2366200 119.644 154.673 -120.817 154.672 -506.67 90.9748 -120.816 90.975 -86.4104 GPRESSURE: 2366200 168.947 210.443 -108.55 184.648 -487.054 -12.3297 -129.941 147.468 -71.7263 PRESSAVG: 2366200 -50.8275 55.2201 -15.141 55.22 51.3267 -13.364 -15.1409 -13.364 -9.29056 GPRESSAVG: 2366200 -50.7007 55.5145 -16.667 56.4296 52.466 -13.4786 -14.2849 -14.7417 -10.3139 TIMING: 2366200 CPU: 7392.09, 0.00310316/step Wall: 7392.09, 0.00310316/step, 2.2703 hours remaining, 235.593750 MB of memory in use. ENERGY: 2366200 3916.9680 20607.5912 14419.1668 227.0611 -202894.8043 2489.0413 0.0000 0.0000 52347.6938 -108887.2821 300.8429 -161234.9759 -108516.6731 300.3489 -157.8120 -129.9442 761747.6860 -2.9304 -2.8495 PRESSURE: 2366400 18.4115 -183.087 49.7458 -183.086 -94.2577 234.931 49.7468 234.932 75.9885 GPRESSURE: 2366400 27.3001 -163.309 107.534 -204.463 -48.5724 219.547 41.5857 160.62 100.746 PRESSAVG: 2366400 -10.4759 1.47092 -9.48474 1.47088 9.73051 17.3596 -9.48472 17.3596 7.26634 GPRESSAVG: 2366400 -10.1428 1.09308 -9.08466 -0.416287 9.35622 16.011 -8.89448 17.2626 6.68963 TIMING: 2366400 CPU: 7392.71, 0.00310627/step Wall: 7392.71, 0.00310628/step, 2.27241 hours remaining, 235.593750 MB of memory in use. ENERGY: 2366400 3974.8414 20710.8321 14406.1066 254.3771 -202916.2337 2564.6050 0.0000 0.0000 52178.1502 -108827.3213 299.8685 -161005.4715 -108470.9630 300.5771 0.0474 26.4911 763449.2237 2.1737 1.9677 PRESSURE: 2366600 -353.53 -162.125 -46.0949 -162.125 267.306 -308.584 -46.0966 -308.584 -139.236 GPRESSURE: 2366600 -248.54 -228.25 -104.046 -146.935 183.409 -313.13 115.826 -331.811 -72.217 PRESSAVG: 2366600 48.0827 -58.1679 -64.5648 -58.168 -35.0075 -109.151 -64.5648 -109.151 2.69599 GPRESSAVG: 2366600 47.3153 -59.4511 -64.0673 -57.5281 -36.151 -107.892 -64.7565 -108.92 4.00573 TIMING: 2366600 CPU: 7393.33, 0.0030958/step Wall: 7393.33, 0.0030958/step, 2.26458 hours remaining, 235.593750 MB of memory in use. ENERGY: 2366600 3905.8259 20561.3532 14497.1758 239.5722 -203277.2393 2755.0506 0.0000 0.0000 52408.6528 -108909.6087 301.1932 -161318.2615 -108539.6377 300.7362 -75.1533 -45.7826 762134.1573 5.2570 5.0567 PRESSURE: 2366800 134.533 11.171 89.6768 11.1711 184.88 69.0233 89.6765 69.0235 273.768 GPRESSURE: 2366800 135.551 57.7192 62.4626 -36.91 241.373 72.3569 136.094 34.9165 301.953 PRESSAVG: 2366800 39.4499 2.05751 38.3604 2.05753 -24.1366 -35.4955 38.3604 -35.4955 38.7078 GPRESSAVG: 2366800 40.0566 2.61639 38.0605 2.86115 -23.5638 -35.3653 39.0888 -37.1456 37.3042 TIMING: 2366800 CPU: 7393.95, 0.00311151/step Wall: 7393.95, 0.00311151/step, 2.2759 hours remaining, 235.593750 MB of memory in use. ENERGY: 2366800 3936.2741 20587.3285 14433.5848 261.8160 -203009.6553 2521.7470 0.0000 0.0000 52185.1320 -109083.7727 299.9087 -161268.9047 -108722.0583 300.2201 197.7271 226.2923 762823.0914 18.0070 17.9323 PRESSURE: 2367000 -302.691 -7.06859 -77.4771 -7.06944 301.853 -264.211 -77.477 -264.211 112.897 GPRESSURE: 2367000 -207.999 -48.8181 53.6992 -1.63749 310.835 -320.528 -38.0612 -200.049 130.738 PRESSAVG: 2367000 -20.6491 -11.2098 24.4365 -11.2098 17.2616 11.2771 24.4365 11.277 -14.5662 GPRESSAVG: 2367000 -20.6987 -12.1828 24.1907 -11.0377 17.0408 9.37382 24.1032 12.7051 -14.4222 TIMING: 2367000 CPU: 7394.57, 0.00309166/step Wall: 7394.57, 0.00309166/step, 2.2612 hours remaining, 235.593750 MB of memory in use. ENERGY: 2367000 3982.5187 20466.6437 14439.8915 236.6055 -202988.1719 2667.3601 0.0000 0.0000 52172.1210 -109023.0314 299.8339 -161195.1524 -108660.0070 299.6212 37.3533 77.8579 762405.0158 -5.9846 -6.0267 PRESSURE: 2367200 26.0512 -262.956 -177.595 -262.956 -81.3379 81.9969 -177.595 81.9954 -178.592 GPRESSURE: 2367200 171.087 -186.523 -232.361 -204.259 -92.6997 16.806 -230.357 127.568 -223.857 PRESSAVG: 2367200 16.4225 -4.2382 -23.0271 -4.23822 -15.3956 40.768 -23.0272 40.768 4.19678 GPRESSAVG: 2367200 16.0962 -3.07994 -22.3254 -5.5692 -14.86 40.4865 -22.1483 41.4487 4.26173 TIMING: 2367200 CPU: 7395.19, 0.00311075/step Wall: 7395.19, 0.00311075/step, 2.275 hours remaining, 235.593750 MB of memory in use. ENERGY: 2367200 3940.3931 20692.0908 14433.6914 239.9828 -202902.5959 2525.0552 0.0000 0.0000 51872.3299 -109199.0527 298.1110 -161071.3826 -108837.3234 299.6118 -77.9595 -48.4900 761165.2441 1.7412 1.8327 PRESSURE: 2367400 127.575 -27.3057 -21.1052 -27.3053 25.0894 52.5747 -21.1053 52.5763 183.782 GPRESSURE: 2367400 120.375 -60.685 0.518005 -28.1912 95.0627 119.212 66.6917 -22.6769 193.17 PRESSAVG: 2367400 64.9606 -21.5357 -11.6266 -21.5357 -54.3087 31.9705 -11.6266 31.9705 -9.94157 GPRESSAVG: 2367400 64.7214 -21.8791 -13.1837 -21.0841 -54.3623 32.7666 -14.122 30.5696 -9.68122 TIMING: 2367400 CPU: 7395.81, 0.00309672/step Wall: 7395.81, 0.00309672/step, 2.26456 hours remaining, 235.593750 MB of memory in use. ENERGY: 2367400 3971.0970 20489.9007 14438.8069 250.1602 -203145.0149 2835.6159 0.0000 0.0000 52137.0125 -109022.4217 299.6321 -161159.4342 -108658.1921 300.0220 112.1487 136.2027 762524.9378 0.2368 0.2260 PRESSURE: 2367600 232.14 97.8186 -193.846 97.819 319.755 61.5963 -193.847 61.5955 286.004 GPRESSURE: 2367600 174.817 50.2198 -34.2661 68.9438 379.634 16.9958 -207.51 62.1273 378.362 PRESSAVG: 2367600 61.4935 -27.1846 37.4825 -27.1846 -1.57338 -21.3423 37.4825 -21.3423 14.9313 GPRESSAVG: 2367600 61.0995 -27.107 39.7099 -26.4773 -2.15456 -20.9568 38.0967 -21.699 15.6393 TIMING: 2367600 CPU: 7396.43, 0.00309319/step Wall: 7396.43, 0.00309319/step, 2.26181 hours remaining, 235.593750 MB of memory in use. ENERGY: 2367600 3934.0046 20603.5447 14397.4036 253.0038 -203132.6985 2715.7490 0.0000 0.0000 52256.0943 -108972.8984 300.3165 -161228.9927 -108612.4882 300.5526 279.2997 310.9374 761392.1163 24.9505 24.8614 PRESSURE: 2367800 202.336 -210.436 -175.829 -210.436 71.9456 -162.652 -175.829 -162.654 -245.004 GPRESSURE: 2367800 184.77 -83.9845 -205.164 -286.157 142.61 -192.394 -44.6454 -78.2861 -216.641 PRESSAVG: 2367800 -9.14389 24.9648 -10.1792 24.9647 -15.1591 56.9482 -10.1792 56.9483 11.9495 GPRESSAVG: 2367800 -8.28044 27.3561 -10.2727 25.6694 -15.1726 56.7547 -8.03574 57.6488 11.6549 TIMING: 2367800 CPU: 7397.05, 0.00310474/step Wall: 7397.05, 0.00310474/step, 2.27009 hours remaining, 235.593750 MB of memory in use. ENERGY: 2367800 4013.6864 20597.4337 14404.7379 252.9760 -203349.2618 2735.0894 0.0000 0.0000 52241.0140 -109104.3245 300.2298 -161345.3385 -108743.3357 300.2001 9.7590 36.9131 762893.7941 -4.1178 -3.9327 PRESSURE: 2368000 -189.938 157.822 -71.5717 157.822 37.9362 74.6629 -71.5723 74.6622 -249.712 GPRESSURE: 2368000 -170.897 41.3122 -68.441 138.735 15.3268 41.6351 -7.47708 105.803 -169.782 PRESSAVG: 2368000 28.8899 -45.4951 -22.3496 -45.4951 -2.95425 2.39513 -22.3497 2.39511 -8.35584 GPRESSAVG: 2368000 28.6955 -47.5967 -22.9579 -44.3136 -2.66486 2.21302 -23.3337 2.11723 -8.15649 TIMING: 2368000 CPU: 7397.67, 0.00312021/step Wall: 7397.67, 0.00312021/step, 2.28122 hours remaining, 235.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2368000 3991.1140 20655.0422 14489.4184 237.3178 -203041.4597 2759.4226 0.0000 0.0000 51731.1396 -109178.0050 297.2996 -160909.1446 -108816.9178 299.8584 -133.9047 -108.4504 763597.0054 5.8599 5.9581 PRESSURE: 2368200 137.531 89.741 50.3096 89.741 34.7788 -4.37441 50.3093 -4.37472 77.5925 GPRESSURE: 2368200 204.574 64.0304 54.6122 53.4799 39.3575 8.67564 155 101.197 76.0238 PRESSAVG: 2368200 -59.7203 -44.2222 -36.1079 -44.2222 60.877 69.3253 -36.1078 69.3253 13.5712 GPRESSAVG: 2368200 -60.1145 -44.1372 -38.4051 -45.9412 61.8045 68.5349 -36.6044 68.4572 13.3824 TIMING: 2368200 CPU: 7398.3, 0.00311604/step Wall: 7398.3, 0.00311604/step, 2.278 hours remaining, 235.593750 MB of memory in use. ENERGY: 2368200 3974.4481 20413.1106 14415.2603 254.9671 -203442.5522 2876.4804 0.0000 0.0000 52327.0188 -109181.2668 300.7241 -161508.2856 -108810.2988 299.6708 83.3008 106.6518 763604.1957 4.9093 5.0241 LDB: ============= START OF LOAD BALANCING ============== 7410.77 LDB: ============== END OF LOAD BALANCING =============== 7410.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7410.78 LDB: ============= START OF LOAD BALANCING ============== 7411.09 LDB: Largest compute 7069 load 0.031292 is 16.0% of average load 0.195073 LDB: Average compute 0.004380 is 2.2% of average load 0.195073 LDB: TIME 7411.09 LOAD: AVG 0.195073 MAX 0.22125 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.891 MB LDB: TIME 7411.09 LOAD: AVG 0.195073 MAX 0.22125 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.891 MB LDB: TIME 7411.09 LOAD: AVG 0.195073 MAX 0.216462 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.891 MB LDB: ============== END OF LOAD BALANCING =============== 7411.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7411.1 PRESSURE: 2368400 -308.46 -54.0036 256.5 -54.0044 -264.099 217.468 256.5 217.468 -116.163 GPRESSURE: 2368400 -278.197 -105.279 306.947 17.6092 -195.948 259.608 165.226 30.4642 -125.413 PRESSAVG: 2368400 38.5845 -42.9117 18.5074 -42.9117 -19.1753 43.3279 18.5074 43.3279 24.0509 GPRESSAVG: 2368400 38.401 -42.4556 19.6068 -42.1125 -18.258 45.6993 20.0107 41.9215 22.8031 TIMING: 2368400 CPU: 7398.93, 0.00319187/step Wall: 7398.93, 0.00319186/step, 2.33325 hours remaining, 234.308594 MB of memory in use. ENERGY: 2368400 4144.9608 20540.8533 14449.7637 249.8926 -203652.7749 2845.2012 0.0000 0.0000 52294.4301 -109127.6733 300.5368 -161422.1034 -108768.2167 300.1361 -229.5738 -199.8527 762195.9204 14.4867 14.3154 PRESSURE: 2368600 -124.843 -74.4776 -162.864 -74.4769 9.40905 -96.2205 -162.863 -96.22 141.179 GPRESSURE: 2368600 -107.125 110.615 -177.898 -110.753 33.8637 -78.1352 -61.3067 -45.8873 183.172 PRESSAVG: 2368600 -26.4091 -2.36586 48.5295 -2.36578 -16.827 7.67231 48.5295 7.67232 8.68026 GPRESSAVG: 2368600 -26.8251 -2.16609 49.773 -2.08979 -17.7239 6.89556 48.1387 8.80242 10.6397 TIMING: 2368600 CPU: 7399.56, 0.00313027/step Wall: 7399.56, 0.00313027/step, 2.28805 hours remaining, 234.308594 MB of memory in use. ENERGY: 2368600 3935.5768 20410.7344 14391.9988 258.8311 -203457.5350 2933.7582 0.0000 0.0000 52135.1014 -109391.5343 299.6211 -161526.6357 -109019.6298 299.7148 8.5818 36.6369 763962.7607 -11.5186 -11.3031 PRESSURE: 2368800 -208.375 16.2834 14.7152 16.2842 179.673 61.1833 14.7154 61.1835 60.7949 GPRESSURE: 2368800 -109.035 120.783 171.804 -23.8752 192.921 68.4471 -14.792 -19.7493 18.4855 PRESSAVG: 2368800 -1.04425 34.0703 -19.0777 34.0702 -20.8586 -9.38126 -19.0777 -9.38131 -24.1738 GPRESSAVG: 2368800 0.538948 36.1983 -17.514 31.5473 -20.8449 -8.41927 -19.6238 -7.85181 -25.8254 TIMING: 2368800 CPU: 7400.18, 0.00311356/step Wall: 7400.18, 0.00311356/step, 2.27567 hours remaining, 234.308594 MB of memory in use. ENERGY: 2368800 3888.3250 20433.0950 14393.3721 244.7473 -203183.0266 2858.8745 0.0000 0.0000 52240.1876 -109124.4251 300.2251 -161364.6127 -108764.0279 299.4446 10.6975 34.1239 762612.5234 -15.3589 -15.3771 PRESSURE: 2369000 84.0668 -27.644 26.1604 -27.6443 75.3697 194.222 26.1607 194.223 106.218 GPRESSURE: 2369000 127.324 -24.7916 42.1102 35.4927 119.517 215.581 10.751 135.511 106.929 PRESSAVG: 2369000 -21.4825 2.48804 -46.3525 2.48803 -3.50726 27.045 -46.3525 27.0449 -28.098 GPRESSAVG: 2369000 -22.5207 -0.874495 -48.6779 4.06435 -4.10582 25.9748 -43.891 25.6675 -25.9192 TIMING: 2369000 CPU: 7400.81, 0.00311681/step Wall: 7400.81, 0.00311681/step, 2.27787 hours remaining, 234.308594 MB of memory in use. ENERGY: 2369000 3987.7976 20572.8803 14365.8634 253.8383 -203637.1768 2944.0443 0.0000 0.0000 52228.3848 -109284.3681 300.1572 -161512.7529 -108922.4261 299.8779 88.5517 117.9233 761492.5958 -17.6959 -17.5152 PRESSURE: 2369200 406.551 -245.542 -70.4094 -245.542 -292.683 427.664 -70.4092 427.665 279.084 GPRESSURE: 2369200 326.968 -263.06 -139.009 -279.178 -119.674 381.805 -148.838 454.886 255.23 PRESSAVG: 2369200 13.3914 -35.6332 -7.48878 -35.6332 35.3212 7.55712 -7.48876 7.55725 14.7787 GPRESSAVG: 2369200 12.6941 -34.4542 -6.43437 -36.6103 36.148 6.55625 -10.4842 9.55542 14.1839 TIMING: 2369200 CPU: 7401.43, 0.00312116/step Wall: 7401.43, 0.00312116/step, 2.28087 hours remaining, 234.308594 MB of memory in use. ENERGY: 2369200 3906.1457 20465.4334 14370.7090 262.7273 -203331.5298 2854.4964 0.0000 0.0000 52184.0894 -109287.9287 299.9027 -161472.0181 -108917.1048 299.5962 130.9837 154.1744 761401.7887 21.1637 21.0087 PRESSURE: 2369400 61.2168 237.165 46.7338 237.165 38.418 -52.9544 46.7341 -52.9535 54.5501 GPRESSURE: 2369400 184.516 252.633 51.5497 299.332 13.3929 -124.193 35.8858 51.7311 18.0174 PRESSAVG: 2369400 -13.5595 -27.1441 24.3229 -27.1441 -7.27707 24.3872 24.323 24.3872 0.838425 GPRESSAVG: 2369400 -13.4439 -26.7682 25.2789 -24.7077 -7.56475 26.4195 25.7444 22.3737 0.4424 TIMING: 2369400 CPU: 7402.05, 0.0031055/step Wall: 7402.05, 0.0031055/step, 2.26926 hours remaining, 234.308594 MB of memory in use. ENERGY: 2369400 3930.5927 20296.3570 14421.4757 252.2432 -203166.2754 2681.7764 0.0000 0.0000 52151.4691 -109432.3613 299.7152 -161583.8305 -109069.3698 299.6751 51.3950 71.9754 761063.5524 -6.6660 -6.8554 PRESSURE: 2369600 154.756 166.234 -219.118 166.234 85.5237 162.827 -219.119 162.827 279.736 GPRESSURE: 2369600 210.472 10.6908 -137.004 158.375 78.2882 136.645 -213.307 192.772 317.165 PRESSAVG: 2369600 48.0555 3.62988 6.42637 3.62988 -13.1931 48.703 6.42645 48.7029 -12.0576 GPRESSAVG: 2369600 46.6186 4.07084 4.85579 3.67724 -13.0475 47.6498 7.83556 50.4159 -10.7324 TIMING: 2369600 CPU: 7402.67, 0.00311666/step Wall: 7402.67, 0.00311666/step, 2.27724 hours remaining, 234.308594 MB of memory in use. ENERGY: 2369600 4046.1129 20592.4620 14413.4992 238.3011 -203338.6025 2646.4932 0.0000 0.0000 52032.8061 -109368.9279 299.0333 -161401.7340 -109011.1212 299.0118 173.3387 201.9750 762177.3766 7.6016 7.6129 PRESSURE: 2369800 17.9956 -82.2962 37.9529 -82.2971 -5.05646 -146.326 37.9522 -146.326 184.971 GPRESSURE: 2369800 23.6163 51.3588 115.075 6.23627 99.7112 -105.011 -28.6477 -290.328 163.737 PRESSAVG: 2369800 33.4834 -24.7695 33.0492 -24.7695 -23.3835 18.4586 33.0492 18.4586 -11.0951 GPRESSAVG: 2369800 35.7306 -24.904 32.8494 -25.5207 -24.0248 19.9315 30.7236 17.526 -12.8283 TIMING: 2369800 CPU: 7403.3, 0.00311955/step Wall: 7403.3, 0.00311955/step, 2.27918 hours remaining, 234.308594 MB of memory in use. ENERGY: 2369800 3900.7465 20497.2458 14360.7389 254.1247 -203273.6546 2841.4181 0.0000 0.0000 52024.2609 -109395.1196 298.9841 -161419.3805 -109035.4305 299.1298 65.9702 95.6881 762140.2673 -0.3317 -0.3741 PRESSURE: 2370000 -142.23 242.069 -246.069 242.069 128.479 -16.7836 -246.07 -16.7831 116.813 GPRESSURE: 2370000 -104.425 142.86 -351.042 394.968 131.559 48.748 -130.393 -70.664 150.491 PRESSAVG: 2370000 -26.5908 -4.16862 2.09604 -4.16857 16.9111 13.2305 2.09606 13.2305 8.76566 GPRESSAVG: 2370000 -27.1607 -4.1708 3.25838 -4.91938 17.714 13.4639 2.46421 13.8526 8.6613 TIMING: 2370000 CPU: 7403.92, 0.00310216/step Wall: 7403.92, 0.00310216/step, 2.2663 hours remaining, 234.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2370000 3958.5096 20359.2000 14399.4247 254.9537 -203310.1870 2928.7131 0.0000 0.0000 51952.4626 -109456.9233 298.5715 -161409.3859 -109101.7463 299.0344 34.3542 59.2086 763015.6094 -0.3047 -0.2618 PRESSURE: 2370200 194.817 221.339 -34.481 221.338 241.16 110.713 -34.481 110.712 -27.2628 GPRESSURE: 2370200 123.622 176.733 10.8787 214.063 368.9 111.231 -11.396 70.547 -3.06012 PRESSAVG: 2370200 -8.27168 12.2332 -23.5436 12.2331 24.4532 -33.1839 -23.5437 -33.1839 10.8676 GPRESSAVG: 2370200 -7.69531 10.3714 -23.2368 13.4295 22.9836 -34.2503 -22.4061 -33.8437 11.3176 TIMING: 2370200 CPU: 7404.54, 0.0031023/step Wall: 7404.54, 0.0031023/step, 2.26623 hours remaining, 234.308594 MB of memory in use. ENERGY: 2370200 3897.0284 20580.5813 14461.4991 236.7020 -203367.5690 2795.6006 0.0000 0.0000 51873.1107 -109523.0469 298.1155 -161396.1576 -109162.7003 298.6619 136.2381 163.1538 761282.5839 9.0164 8.8686 PRESSURE: 2370400 -92.8007 -27.8146 -53.4832 -27.8149 -103.842 -23.6692 -53.4828 -23.6695 -199.637 GPRESSURE: 2370400 -33.8956 7.30244 -49.0202 -21.062 -122.239 -20.7388 -195.476 -83.1166 -172.665 PRESSAVG: 2370400 -2.50103 27.6917 -20.1607 27.6916 6.01124 46.7799 -20.1607 46.78 -10.8587 GPRESSAVG: 2370400 -3.51493 31.4993 -20.002 24.8906 7.14349 47.5902 -24.589 45.8498 -10.2501 TIMING: 2370400 CPU: 7405.16, 0.00309012/step Wall: 7405.16, 0.00309012/step, 2.25716 hours remaining, 234.308594 MB of memory in use. ENERGY: 2370400 4015.3131 20528.5458 14405.9569 226.4233 -203042.2629 2514.9874 0.0000 0.0000 52077.5064 -109273.5300 299.2901 -161351.0364 -108903.3209 298.8581 -132.0933 -109.6001 763808.1399 -2.4495 -2.2072 PRESSURE: 2370600 159.841 47.2242 123.227 47.2248 -103.892 10.7172 123.228 10.7169 -89.0103 GPRESSURE: 2370600 236.624 34.1555 158.235 55.2567 -114.164 3.35801 165.843 12.1782 -53.2871 PRESSAVG: 2370600 0.337255 -22.8154 -38.8477 -22.8154 9.19215 51.5209 -38.8477 51.5209 -23.6924 GPRESSAVG: 2370600 2.57491 -27.3039 -39.5316 -17.8098 8.35676 50.3995 -37.4971 51.6384 -24.454 TIMING: 2370600 CPU: 7405.78, 0.00310755/step Wall: 7405.78, 0.00310755/step, 2.26972 hours remaining, 234.308594 MB of memory in use. ENERGY: 2370600 3995.5763 20419.7721 14420.6020 277.4139 -202907.5189 2686.3039 0.0000 0.0000 52156.0221 -108951.8287 299.7414 -161107.8507 -108594.6725 299.7963 -11.0206 23.0577 762416.3228 -4.7210 -4.5074 PRESSURE: 2370800 -114.38 225.517 -46.6675 225.517 195.973 -199.428 -46.6666 -199.429 -10.8162 GPRESSURE: 2370800 -76.5601 172.512 -44.3899 206.826 272.635 -170.821 -119.194 -214.652 -22.6967 PRESSAVG: 2370800 -31.0419 -2.65004 -20.0717 -2.65 35.4583 1.35975 -20.0716 1.35972 -11.0841 GPRESSAVG: 2370800 -30.9686 -1.09133 -19.8957 -6.03823 34.6636 0.596777 -18.2401 1.31892 -10.273 TIMING: 2370800 CPU: 7406.4, 0.00310989/step Wall: 7406.4, 0.00310989/step, 2.27126 hours remaining, 234.308594 MB of memory in use. ENERGY: 2370800 4007.3808 20528.3618 14325.3522 258.3956 -203124.5579 2781.5716 0.0000 0.0000 52265.1542 -108958.3416 300.3686 -161223.4957 -108595.5578 299.9037 23.5922 57.7926 762527.2037 -2.2225 -2.1927 PRESSURE: 2371000 -385.938 -76.5806 123.813 -76.58 37.2582 130.309 123.814 130.311 -52.6121 GPRESSURE: 2371000 -369.398 -6.62784 202.948 25.2184 82.8965 191.751 64.3437 60.3826 -43.3708 PRESSAVG: 2371000 -33.0333 13.9167 25.0523 13.9167 37.0754 -40.6541 25.0523 -40.6541 15.3597 GPRESSAVG: 2371000 -33.5193 14.2347 25.2924 15.5197 38.3556 -39.7684 24.3879 -39.726 14.6015 TIMING: 2371000 CPU: 7407.02, 0.00311175/step Wall: 7407.02, 0.00311175/step, 2.27244 hours remaining, 234.308594 MB of memory in use. ENERGY: 2371000 4007.3481 20697.3123 14431.5946 260.1777 -203035.0262 2562.7812 0.0000 0.0000 51971.1326 -109104.6799 298.6788 -161075.8124 -108753.2504 299.6552 -133.7640 -109.9575 763275.3930 6.4672 6.4793 PRESSURE: 2371200 100.55 -26.8893 -398.476 -26.8893 -154.961 46.0393 -398.476 46.0391 -43.3316 GPRESSURE: 2371200 135.776 73.4368 -371.865 7.46015 -76.3932 109.784 -289.714 -13.7821 -58.6799 PRESSAVG: 2371200 36.4399 59.1791 -39.0957 59.1791 -24.4306 -13.9554 -39.0957 -13.9554 -9.20743 GPRESSAVG: 2371200 35.4842 59.2661 -39.2882 57.8516 -24.8563 -14.4989 -38.3882 -14.794 -8.18365 TIMING: 2371200 CPU: 7407.65, 0.00311331/step Wall: 7407.65, 0.00311331/step, 2.27341 hours remaining, 234.308594 MB of memory in use. ENERGY: 2371200 3971.3546 20598.5950 14361.4567 254.7109 -202910.7799 2676.7811 0.0000 0.0000 52046.5550 -109001.3266 299.1123 -161047.8815 -108640.6095 300.0418 -32.5806 0.2343 763714.0203 0.9339 0.8148 PRESSURE: 2371400 -45.5091 24.9731 235.694 24.9729 -169.389 -152.768 235.693 -152.768 -334.973 GPRESSURE: 2371400 22.3802 29.0389 276.209 48.0135 -97.9988 -99.1137 83.8712 -144.487 -365.28 PRESSAVG: 2371400 16.5404 -29.3163 55.9342 -29.3163 5.10875 3.79758 55.9342 3.79757 28.653 GPRESSAVG: 2371400 16.9966 -30.2556 56.4913 -26.7314 5.75517 3.71284 54.2713 4.35971 27.4838 TIMING: 2371400 CPU: 7408.27, 0.0031141/step Wall: 7408.27, 0.0031141/step, 2.27381 hours remaining, 234.308594 MB of memory in use. ENERGY: 2371400 3997.8349 20466.6216 14408.8338 275.7189 -202731.0990 2703.9871 0.0000 0.0000 51843.5892 -109034.5133 297.9458 -160878.1026 -108680.4735 299.5101 -183.2906 -146.9661 763766.9048 16.7674 16.7452 PRESSURE: 2371600 -123.732 -8.6186 23.3194 -8.61798 37.1404 -228.186 23.3196 -228.185 271.119 GPRESSURE: 2371600 6.15073 -57.5891 -21.4552 -63.5474 39.927 -287.34 44.6386 -177.634 217.292 PRESSAVG: 2371600 -4.32965 44.1166 8.76198 44.1166 47.157 -60.0939 8.76202 -60.0939 7.55074 GPRESSAVG: 2371600 -4.05269 44.9394 8.3141 42.4379 46.7927 -57.5694 7.94363 -61.2753 8.00642 TIMING: 2371600 CPU: 7408.89, 0.0031294/step Wall: 7408.89, 0.0031294/step, 2.28481 hours remaining, 234.308594 MB of memory in use. ENERGY: 2371600 4020.9386 20387.5367 14436.2941 252.2958 -202931.6893 2398.2220 0.0000 0.0000 52333.3731 -109103.0290 300.7606 -161436.4021 -108731.4314 299.8557 61.5088 87.7897 761263.0072 16.7927 16.9155 PRESSURE: 2371800 -26.5759 131.167 -216.31 131.168 -95.766 -92.8686 -216.309 -92.8692 -333.106 GPRESSURE: 2371800 30.2251 102.692 -199.387 3.21168 -80.4665 -87.6949 -64.3042 -120.84 -323.581 PRESSAVG: 2371800 -33.6747 -43.8712 22.2544 -43.8712 29.2659 -8.46114 22.2544 -8.46119 -1.83631 GPRESSAVG: 2371800 -33.5061 -44.5177 22.8757 -43.6795 30.0885 -11.2083 24.1325 -8.81564 -2.62914 TIMING: 2371800 CPU: 7409.52, 0.00313574/step Wall: 7409.52, 0.00313574/step, 2.28926 hours remaining, 234.308594 MB of memory in use. ENERGY: 2371800 3985.3594 20411.5078 14403.2433 253.5752 -203318.7208 2939.3531 0.0000 0.0000 52078.0709 -109247.6113 299.2934 -161325.6822 -108891.9590 300.0239 -151.8160 -124.6075 763400.9099 -2.0817 -2.0156 PRESSURE: 2372000 281.679 -188.394 62.7489 -188.394 250.768 -283.424 62.7487 -283.424 319.097 GPRESSURE: 2372000 261.43 -143.337 47.0014 -212.408 315.703 -247.861 38.3512 -132.765 344.252 PRESSAVG: 2372000 -6.32749 -3.96243 29.5226 -3.96251 51.1325 -42.4932 29.5225 -42.4931 -0.425868 GPRESSAVG: 2372000 -6.80923 -3.22177 27.5463 -4.62706 50.9284 -41.3468 29.5099 -41.9721 0.411757 TIMING: 2372000 CPU: 7410.15, 0.00314435/step Wall: 7410.15, 0.00314435/step, 2.29537 hours remaining, 234.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2372000 3952.6174 20516.3304 14506.5874 257.1127 -203447.1663 2777.9281 0.0000 0.0000 52395.8612 -109040.7291 301.1197 -161436.5903 -108675.5454 299.6407 283.8479 307.1282 760919.8409 14.7930 14.8436 PRESSURE: 2372200 -61.4143 -299.173 43.217 -299.173 15.4882 139.905 43.2165 139.905 170.221 GPRESSURE: 2372200 2.03068 -183.045 45.6066 -256.256 59.7277 182.513 105.007 195.521 134.667 PRESSAVG: 2372200 -32.3708 22.9496 3.11682 22.9496 17.2869 -10.9287 3.11686 -10.9287 13.4936 GPRESSAVG: 2372200 -32.532 22.5684 3.60189 24.4998 16.9206 -10.1324 3.72532 -10.1909 13.6798 TIMING: 2372200 CPU: 7410.78, 0.00314317/step Wall: 7410.78, 0.00314317/step, 2.29434 hours remaining, 234.308594 MB of memory in use. ENERGY: 2372200 4004.4168 20484.4493 14447.1967 240.9397 -202953.4908 2505.3027 0.0000 0.0000 52043.5372 -109227.6483 299.0949 -161271.1855 -108869.4697 299.3926 41.4317 65.4752 764067.5050 -0.5301 -0.6439 LDB: ============= START OF LOAD BALANCING ============== 7423.26 LDB: ============== END OF LOAD BALANCING =============== 7423.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7423.26 LDB: ============= START OF LOAD BALANCING ============== 7423.57 LDB: Largest compute 7069 load 0.031238 is 16.0% of average load 0.195089 LDB: Average compute 0.004383 is 2.2% of average load 0.195089 LDB: TIME 7423.58 LOAD: AVG 0.195089 MAX 0.215117 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.848 MB LDB: TIME 7423.58 LOAD: AVG 0.195089 MAX 0.215117 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.055 MB LDB: TIME 7423.58 LOAD: AVG 0.195089 MAX 0.215117 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.055 MB LDB: ============== END OF LOAD BALANCING =============== 7423.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7423.59 PRESSURE: 2372400 15.648 17.5456 -32.5889 17.5455 -21.1508 -77.2153 -32.588 -77.2153 -172.192 GPRESSURE: 2372400 132.566 93.1933 -79.4927 13.9827 -53.7746 -116.25 12.0203 -23.0196 -178.501 PRESSAVG: 2372400 21.1299 -2.65543 13.4216 -2.65547 -32.5194 53.9161 13.4215 53.9161 24.977 GPRESSAVG: 2372400 21.5586 -0.161783 13.1695 -1.42595 -32.4308 50.8733 13.2915 53.3798 24.3014 TIMING: 2372400 CPU: 7411.42, 0.00320308/step Wall: 7411.42, 0.00320308/step, 2.33789 hours remaining, 235.390625 MB of memory in use. ENERGY: 2372400 3940.3832 20471.4722 14396.9314 260.1138 -203293.8548 2800.6883 0.0000 0.0000 52011.9696 -109412.2963 298.9135 -161424.2658 -109053.6744 299.0237 -59.2315 -33.2366 763782.3719 4.5292 4.4764 PRESSURE: 2372600 173.959 244.997 128.556 244.997 -114.322 42.6262 128.556 42.6259 151.094 GPRESSURE: 2372600 156.72 161.307 44.424 262.881 -17.4453 160.956 106.001 -53.9946 180.332 PRESSAVG: 2372600 58.4043 24.743 16.6061 24.7431 -45.8703 -44.1479 16.606 -44.1481 12.1613 GPRESSAVG: 2372600 59.3226 23.2415 18.771 22.8671 -46.8909 -40.9946 15.2117 -44.7246 12.733 TIMING: 2372600 CPU: 7412.04, 0.00312235/step Wall: 7412.04, 0.00312235/step, 2.27879 hours remaining, 235.589844 MB of memory in use. ENERGY: 2372600 3969.1976 20577.7182 14363.9626 239.5476 -203832.4731 3123.0495 0.0000 0.0000 51981.7070 -109577.2905 298.7396 -161558.9975 -109223.1871 299.1772 70.2433 106.5357 761426.8943 8.2318 8.3882 PRESSURE: 2372800 -270.084 -134.84 368.786 -134.839 -157.003 -113.301 368.786 -113.3 -739.226 GPRESSURE: 2372800 -321.121 -118.663 438.54 -80.0492 -106.282 -70.2728 269.332 -167.503 -654.717 PRESSAVG: 2372800 11.6336 -4.90524 -49.6354 -4.90522 20.4692 1.38662 -49.6354 1.38663 -8.37023 GPRESSAVG: 2372800 10.8563 -5.10592 -50.5894 -6.31783 21.7346 0.197012 -49.9138 3.15393 -8.89611 TIMING: 2372800 CPU: 7412.67, 0.00313198/step Wall: 7412.67, 0.00313198/step, 2.28565 hours remaining, 235.589844 MB of memory in use. ENERGY: 2372800 3935.1986 20334.0197 14451.2259 247.4549 -203218.1965 2498.5502 0.0000 0.0000 52277.8008 -109473.9464 300.4412 -161751.7472 -109098.4209 298.8551 -388.7710 -360.7067 764029.4276 7.9109 7.8983 PRESSURE: 2373000 -248.039 25.9552 -196.345 25.9545 -29.8132 -210.49 -196.345 -210.491 401.986 GPRESSURE: 2373000 -229.764 11.819 -254.973 74.4457 42.1984 -36.2346 -103.51 -245.481 411.85 PRESSAVG: 2373000 -38.0614 -14.0439 -40.9289 -14.044 27.4991 -34.9411 -40.9289 -34.9411 2.0455 GPRESSAVG: 2373000 -37.8618 -15.2124 -40.6048 -13.0818 26.7754 -34.8305 -42.0778 -35.1828 3.00364 TIMING: 2373000 CPU: 7413.3, 0.00312348/step Wall: 7413.3, 0.00312348/step, 2.27927 hours remaining, 235.589844 MB of memory in use. ENERGY: 2373000 3982.2844 20361.6066 14415.4698 236.2807 -203265.3185 2775.2936 0.0000 0.0000 52115.5200 -109378.8633 299.5086 -161494.3833 -109014.0155 299.5101 41.3781 74.7614 763265.7166 -2.8389 -2.6942 PRESSURE: 2373200 107.535 91.5883 -92.839 91.5878 157.196 -104.212 -92.8383 -104.213 247.275 GPRESSURE: 2373200 217.52 74.7107 -49.0619 199.37 109.249 -56.0209 -125.488 -57.1297 272.891 PRESSAVG: 2373200 42.213 -3.22485 5.34868 -3.22479 -58.9696 -78.7314 5.34872 -78.7315 -15.8965 GPRESSAVG: 2373200 42.0831 -0.999399 4.85206 -2.4478 -58.7616 -78.9392 6.04848 -77.5571 -15.896 TIMING: 2373200 CPU: 7413.92, 0.00311874/step Wall: 7413.92, 0.00311874/step, 2.27564 hours remaining, 235.589844 MB of memory in use. ENERGY: 2373200 3892.7532 20506.7605 14488.3363 251.0717 -203317.2575 2853.9701 0.0000 0.0000 51859.5527 -109464.8130 298.0376 -161324.3657 -109117.1454 299.0218 170.6687 199.8864 762536.5585 -10.8844 -10.8582 PRESSURE: 2373400 -38.8227 78.2924 143.762 78.293 304.133 124.06 143.762 124.06 -10.923 GPRESSURE: 2373400 -22.0579 27.2649 95.4388 131.326 312.595 37.6361 208.932 117.441 39.7674 PRESSAVG: 2373400 42.9471 20.5062 34.259 20.5062 -66.3826 -32.2824 34.259 -32.2824 -19.0106 GPRESSAVG: 2373400 42.6955 19.8699 32.035 21.2558 -66.9685 -33.2559 35.8451 -32.8484 -18.7445 TIMING: 2373400 CPU: 7414.55, 0.00314637/step Wall: 7414.55, 0.00314637/step, 2.29562 hours remaining, 235.589844 MB of memory in use. ENERGY: 2373400 4013.2463 20463.8852 14409.1149 251.3002 -203365.3144 2785.3149 0.0000 0.0000 51737.1297 -109705.3231 297.3340 -161442.4528 -109365.3092 298.6498 84.7957 110.1015 760777.1571 -14.1487 -14.3392 PRESSURE: 2373600 65.9681 -187.968 -251.892 -187.967 -54.8819 31.858 -251.892 31.8569 -80.4412 GPRESSURE: 2373600 129.571 -84.1515 -238.534 -138.54 -4.43581 47.0474 -262.584 106.003 -115.668 PRESSAVG: 2373600 32.6187 8.73995 -16.6677 8.73997 15.1221 -13.0821 -16.6677 -13.082 -9.88016 GPRESSAVG: 2373600 31.9002 8.16638 -13.3411 10.2486 16.2651 -12.689 -17.0808 -13.5044 -10.4232 TIMING: 2373600 CPU: 7415.17, 0.00312789/step Wall: 7415.17, 0.00312789/step, 2.28197 hours remaining, 235.589844 MB of memory in use. ENERGY: 2373600 3927.7043 20431.4770 14461.7363 232.8731 -203573.9445 2702.6562 0.0000 0.0000 51981.9990 -109835.4986 298.7413 -161817.4976 -109480.2740 298.2643 -23.1184 3.1557 760599.0202 12.6202 12.5807 PRESSURE: 2373800 55.6177 123.829 184.659 123.829 29.6033 67.396 184.66 67.3967 241.843 GPRESSURE: 2373800 70.279 32.4958 179.456 38.8062 -7.64896 4.58063 207.904 141.295 365.051 PRESSAVG: 2373800 -7.71462 9.33734 -4.47515 9.33728 -17.5516 -20.1357 -4.4751 -20.1357 -25.6194 GPRESSAVG: 2373800 -7.34994 8.33012 -6.29998 8.40189 -17.3303 -19.0349 -3.24852 -20.5078 -25.7499 TIMING: 2373800 CPU: 7415.8, 0.00312959/step Wall: 7415.8, 0.00312959/step, 2.28304 hours remaining, 235.589844 MB of memory in use. ENERGY: 2373800 3941.9781 20292.7845 14382.9003 243.2310 -203407.5033 2859.8544 0.0000 0.0000 52010.1881 -109676.5669 298.9033 -161686.7550 -109308.5944 298.4959 109.0215 142.5603 760751.4100 -16.9619 -16.8100 PRESSURE: 2374000 188.597 167.88 -67.4949 167.881 157.053 -64.2748 -67.4951 -64.2762 481.887 GPRESSURE: 2374000 279.283 177.42 -37.3095 167.461 198.372 -0.0931633 -57.5594 -114.726 441.859 PRESSAVG: 2374000 55.2669 32.687 11.1672 32.687 -33.216 -45.8648 11.1672 -45.8649 -3.09215 GPRESSAVG: 2374000 56.3153 32.5182 11.6469 32.9652 -34.6538 -47.7464 11.3854 -43.4738 -2.2768 TIMING: 2374000 CPU: 7416.43, 0.00313433/step Wall: 7416.43, 0.00313433/step, 2.28632 hours remaining, 235.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2374000 3952.4946 20421.3730 14467.4965 220.1578 -203168.4986 2723.3339 0.0000 0.0000 51792.9761 -109590.6667 297.6549 -161383.6428 -109225.2842 298.6973 275.8459 306.5045 761343.9001 6.3196 6.4616 PRESSURE: 2374200 -8.65129 -29.7274 90.9387 -29.7273 -138.136 255.635 90.9395 255.635 40.7786 GPRESSURE: 2374200 63.5303 -44.4166 151.323 -78.8317 -35.3871 182.557 110.417 195.125 -74.7153 PRESSAVG: 2374200 32.9637 -1.12627 74.2004 -1.12621 24.366 1.38892 74.2004 1.38886 10.8686 GPRESSAVG: 2374200 31.1332 -1.47185 73.7238 -2.18872 24.6263 1.52983 74.3825 -1.9075 12.1815 TIMING: 2374200 CPU: 7417.05, 0.00313062/step Wall: 7417.05, 0.00313062/step, 2.28344 hours remaining, 235.589844 MB of memory in use. ENERGY: 2374200 3969.7509 20507.0495 14494.9540 234.9561 -202688.1882 2296.3669 0.0000 0.0000 51622.0728 -109563.0381 296.6728 -161185.1108 -109203.6207 298.6549 -35.3362 -15.5241 762186.5284 22.7327 22.6470 PRESSURE: 2374400 -7.178 -78.419 21.8576 -78.4191 -227.212 -33.9841 21.858 -33.9832 -368.136 GPRESSURE: 2374400 59.2377 -84.3063 0.527031 5.86647 -236.179 -32.8022 -23.603 -137.944 -322.378 PRESSAVG: 2374400 -4.39335 50.3397 -47.331 50.3397 -39.8396 -11.0135 -47.3311 -11.0135 -2.01808 GPRESSAVG: 2374400 -4.21597 51.8098 -46.119 50.3723 -38.9725 -11.4081 -46.963 -10.4488 -3.24782 TIMING: 2374400 CPU: 7417.68, 0.00312939/step Wall: 7417.68, 0.00312939/step, 2.28237 hours remaining, 235.589844 MB of memory in use. ENERGY: 2374400 4093.2899 20470.3979 14420.1391 234.9493 -203321.3521 2736.5721 0.0000 0.0000 51656.7171 -109709.2867 296.8719 -161366.0038 -109358.1223 298.2662 -200.8422 -166.4398 762801.7502 -15.4170 -15.4788 PRESSURE: 2374600 -55.3256 -71.5304 -33.7379 -71.53 -54.7452 230.888 -33.7386 230.887 -1.90385 GPRESSURE: 2374600 9.78445 -19.478 -20.7002 -64.377 -46.131 219.709 135.456 194.858 -9.01102 PRESSAVG: 2374600 40.0255 39.7454 -40.9976 39.7454 10.4259 -19.9609 -40.9975 -19.9608 9.46292 GPRESSAVG: 2374600 39.1514 39.3735 -41.6932 38.6576 10.0575 -19.1721 -42.6358 -19.4843 10.7571 TIMING: 2374600 CPU: 7418.3, 0.00311319/step Wall: 7418.3, 0.00311319/step, 2.27038 hours remaining, 235.589844 MB of memory in use. ENERGY: 2374600 4014.2497 20295.5648 14450.6001 241.7050 -203494.5598 2880.7545 0.0000 0.0000 52128.9779 -109482.7078 299.5860 -161611.6856 -109120.8369 298.5049 -37.3249 -15.1192 762712.3382 19.9715 19.9887 PRESSURE: 2374800 -352.7 -37.8693 196.398 -37.8693 -425.338 -33.2562 196.398 -33.255 -142.537 GPRESSURE: 2374800 -273.533 72.0099 266.859 -27.8921 -328.268 -28.7126 198.725 34.6223 -245.606 PRESSAVG: 2374800 -24.036 56.0605 32.4513 56.0606 25.9972 14.2288 32.4513 14.2288 -9.43994 GPRESSAVG: 2374800 -23.8848 53.6185 33.7733 59.1862 26.322 14.9563 32.4042 12.435 -10.7151 TIMING: 2374800 CPU: 7418.93, 0.00312634/step Wall: 7418.93, 0.00312634/step, 2.27979 hours remaining, 235.589844 MB of memory in use. ENERGY: 2374800 4029.2908 20663.8378 14423.8407 253.4668 -203347.0529 2577.6421 0.0000 0.0000 52177.6400 -109221.3347 299.8656 -161398.9746 -108863.0532 298.8615 -306.8580 -282.4691 764414.7455 -2.4929 -2.7593 PRESSURE: 2375000 -68.6223 -23.9489 74.2034 -23.9494 -114.716 -86.4691 74.2031 -86.4697 -359.186 GPRESSURE: 2375000 -26.4393 -50.3395 18.3334 16.6515 -59.4988 -55.5838 31.7344 -122.132 -375.677 PRESSAVG: 2375000 -22.0783 19.4668 -9.58747 19.4668 0.212768 -15.3454 -9.58745 -15.3455 -4.72133 GPRESSAVG: 2375000 -21.8259 19.5286 -9.89537 16.052 0.0493684 -16.1958 -10.1289 -14.7741 -4.74637 TIMING: 2375000 CPU: 7419.55, 0.0031086/step Wall: 7419.55, 0.0031086/step, 2.26669 hours remaining, 235.589844 MB of memory in use. ENERGY: 2375000 4006.3031 20408.8211 14472.9432 252.1800 -203073.5589 2558.7498 0.0000 0.0000 52036.0505 -109338.5113 299.0519 -161374.5618 -108970.2478 299.0769 -180.8414 -153.8718 763067.6823 -8.8623 -8.8410 PRESSURE: 2375200 -133.017 85.8572 -133.402 85.8573 -105.096 145.732 -133.404 145.73 79.0179 GPRESSURE: 2375200 -100.189 108.879 -80.2737 100.222 -85.7591 119.091 -100.778 -24.5777 135.219 PRESSAVG: 2375200 34.1908 -16.0329 -50.1874 -16.0329 -10.3547 -13.5105 -50.1873 -13.5105 16.5269 GPRESSAVG: 2375200 34.9468 -13.4183 -52.0177 -14.482 -10.4912 -14.9785 -50.2109 -12.3481 16.1109 TIMING: 2375200 CPU: 7420.17, 0.0031219/step Wall: 7420.17, 0.0031219/step, 2.27621 hours remaining, 235.589844 MB of memory in use. ENERGY: 2375200 4009.9143 20599.5316 14488.0058 248.9066 -203450.2489 2577.9028 0.0000 0.0000 52063.6642 -109462.3237 299.2106 -161525.9878 -109092.9092 299.1685 -53.0317 -16.9097 763434.5477 13.4543 13.5222 PRESSURE: 2375400 49.2222 -126.585 56.246 -126.587 107.448 -479.038 56.2457 -479.04 -173.649 GPRESSURE: 2375400 72.6453 -76.8433 98.5682 -61.9089 150.944 -343.268 34.3684 -309.89 -159.06 PRESSAVG: 2375400 -21.3463 12.9988 -9.45625 12.9988 32.3435 48.6636 -9.45624 48.6637 -1.23153 GPRESSAVG: 2375400 -21.9215 12.6587 -7.29447 12.6368 31.4856 50.5541 -8.26686 49.1229 -0.823378 TIMING: 2375400 CPU: 7420.8, 0.00311854/step Wall: 7420.8, 0.00311853/step, 2.27358 hours remaining, 235.589844 MB of memory in use. ENERGY: 2375400 3940.7587 20480.1018 14437.9600 246.3876 -203246.4633 2529.0729 0.0000 0.0000 52132.8336 -109479.3488 299.6081 -161612.1824 -109117.5167 299.1074 -5.6594 21.5100 762925.0998 3.2552 2.9136 PRESSURE: 2375600 -323.511 -13.7393 -337.179 -13.7391 -34.917 51.7844 -337.179 51.7862 -122.123 GPRESSURE: 2375600 -244.826 51.696 -275.287 23.6549 -44.8106 132.761 -286.419 50.2475 -116.275 PRESSAVG: 2375600 -44.0019 -64.1665 -34.5497 -64.1665 2.84868 48.4321 -34.5497 48.4321 22.3115 GPRESSAVG: 2375600 -44.5172 -64.1095 -37.0487 -64.3827 3.71686 47.2811 -34.1456 47.6122 22.3282 TIMING: 2375600 CPU: 7421.42, 0.00311588/step Wall: 7421.42, 0.00311588/step, 2.27148 hours remaining, 235.589844 MB of memory in use. ENERGY: 2375600 4077.7224 20394.3705 14366.2541 254.2009 -203332.2849 2685.7805 0.0000 0.0000 51981.1010 -109572.8555 298.7361 -161553.9564 -109207.1521 298.5739 -160.1837 -135.3038 762637.6042 -6.2806 -6.1574 PRESSURE: 2375800 -21.0566 -170.329 127.215 -170.329 214.556 -115.51 127.214 -115.511 -202.649 GPRESSURE: 2375800 -43.5898 14.1579 151.407 -146.278 237.074 0.848268 44.7137 -156.894 -135.591 PRESSAVG: 2375800 5.68393 -4.16166 -68.4723 -4.16169 -41.7656 -26.0672 -68.4723 -26.0672 -8.03688 GPRESSAVG: 2375800 4.67581 -3.11286 -66.4327 -3.48572 -42.0625 -25.822 -67.526 -25.193 -6.99622 TIMING: 2375800 CPU: 7422.04, 0.0031133/step Wall: 7422.04, 0.0031133/step, 2.26942 hours remaining, 235.589844 MB of memory in use. ENERGY: 2375800 3941.8913 20468.2117 14367.1869 250.8305 -203780.4207 2791.6965 0.0000 0.0000 52362.1044 -109598.4994 300.9257 -161960.6038 -109231.7553 298.9553 -3.0500 19.2977 762147.4486 -14.7062 -14.7943 PRESSURE: 2376000 -138.894 -40.1022 -67.077 -40.1017 97.4133 78.4761 -67.0775 78.4754 205.933 GPRESSURE: 2376000 -38.683 -17.0439 -117.599 -4.63808 94.0999 37.5084 -138.729 188.744 191.869 PRESSAVG: 2376000 -12.3371 -7.55781 22.0131 -7.55786 22.5346 -19.1134 22.013 -19.1135 -4.43762 GPRESSAVG: 2376000 -10.5898 -8.57592 20.0145 -6.55457 23.1982 -18.3179 19.0428 -21.3607 -6.28816 TIMING: 2376000 CPU: 7422.67, 0.00312543/step Wall: 7422.67, 0.00312543/step, 2.27809 hours remaining, 235.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2376000 3968.2800 20642.3890 14398.3580 240.0167 -203048.8264 2460.9272 0.0000 0.0000 51863.7389 -109475.1165 298.0616 -161338.8554 -109112.6078 298.8438 54.8172 82.4287 762285.2537 1.9200 2.1067 PRESSURE: 2376200 30.1556 -356.411 -366.5 -356.412 -207.257 -49.4374 -366.499 -49.4376 -165.79 GPRESSURE: 2376200 59.5394 -256.693 -299.38 -295.462 -109.714 -95.2551 -307.66 -122.242 -183.825 PRESSAVG: 2376200 -4.53992 -7.12998 2.59759 -7.1299 -13.8582 13.5268 2.59758 13.5268 -2.286 GPRESSAVG: 2376200 -3.40419 -7.55583 3.1566 -6.42156 -14.3798 14.4577 4.91468 14.4317 -2.47752 TIMING: 2376200 CPU: 7423.29, 0.00310773/step Wall: 7423.29, 0.00310773/step, 2.26502 hours remaining, 235.589844 MB of memory in use. ENERGY: 2376200 3934.2887 20483.1611 14470.8770 252.3462 -203427.4318 2710.3385 0.0000 0.0000 52109.2368 -109467.1835 299.4725 -161576.4203 -109105.8602 299.0389 -114.2972 -78.0000 762664.9778 -6.8947 -6.7538 LDB: ============= START OF LOAD BALANCING ============== 7435.77 LDB: ============== END OF LOAD BALANCING =============== 7435.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7435.77 LDB: ============= START OF LOAD BALANCING ============== 7436.08 LDB: Largest compute 7031 load 0.029827 is 15.3% of average load 0.195159 LDB: Average compute 0.004393 is 2.3% of average load 0.195159 LDB: TIME 7436.08 LOAD: AVG 0.195159 MAX 0.215814 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.207 MB LDB: TIME 7436.08 LOAD: AVG 0.195159 MAX 0.215814 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.211 MB LDB: TIME 7436.08 LOAD: AVG 0.195159 MAX 0.215814 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.211 MB LDB: ============== END OF LOAD BALANCING =============== 7436.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7436.09 PRESSURE: 2376400 60.1808 243.375 4.26132 243.376 -249.22 -282.023 4.26097 -282.024 -196.795 GPRESSURE: 2376400 53.491 100.244 52.6901 137.89 -134.836 -185.569 -5.48403 -296.794 -224.947 PRESSAVG: 2376400 -15.9479 -32.5048 -17.9727 -32.5048 -11.8822 -32.8133 -17.9727 -32.8133 -26.6008 GPRESSAVG: 2376400 -17.9763 -30.3054 -17.9131 -33.0549 -11.7227 -32.4714 -17.4414 -31.0853 -24.6295 TIMING: 2376400 CPU: 7423.92, 0.00317996/step Wall: 7423.92, 0.00317996/step, 2.31748 hours remaining, 235.593750 MB of memory in use. ENERGY: 2376400 4070.7793 20591.6563 14426.8040 256.4020 -203123.4114 2736.7441 0.0000 0.0000 51663.8854 -109377.1403 296.9131 -161041.0257 -109014.1309 298.8879 -128.6113 -102.0974 763213.3109 -18.1436 -18.1095 PRESSURE: 2376600 128.896 -54.4001 27.2063 -54.3998 22.0092 -94.4291 27.2063 -94.4286 -147.69 GPRESSURE: 2376600 191.25 67.8817 43.4954 -68.6815 21.8768 -34.8365 -32.1399 -153.95 -126.53 PRESSAVG: 2376600 41.2627 -4.17456 28.5494 -4.17457 -21.1438 -2.79272 28.5494 -2.79269 18.7259 GPRESSAVG: 2376600 42.0825 -5.66124 27.401 -6.08508 -21.4875 -3.04704 26.0111 -3.89868 18.3471 TIMING: 2376600 CPU: 7424.55, 0.00311018/step Wall: 7424.55, 0.00311018/step, 2.26646 hours remaining, 235.792969 MB of memory in use. ENERGY: 2376600 3992.0271 20574.1725 14345.6861 228.7887 -203204.2335 2652.2549 0.0000 0.0000 52174.4206 -109236.8837 299.8471 -161411.3043 -108863.5570 299.0527 1.0718 28.8655 764345.4689 12.9483 12.9807 PRESSURE: 2376800 301.044 238.357 24.2443 238.357 -51.7963 204.052 24.2449 204.051 -147.188 GPRESSURE: 2376800 222.013 256.781 85.2209 308.524 35.8048 201.317 -81.1265 133.663 -64.0645 PRESSAVG: 2376800 25.5408 -26.2406 -39.5346 -26.2406 -42.9394 39.0726 -39.5346 39.0726 1.63285 GPRESSAVG: 2376800 25.1444 -24.0627 -38.2856 -26.8818 -43.5165 37.8586 -39.6959 39.9002 2.47195 TIMING: 2376800 CPU: 7425.17, 0.00312366/step Wall: 7425.17, 0.00312366/step, 2.27611 hours remaining, 235.792969 MB of memory in use. ENERGY: 2376800 4043.2432 20551.3739 14404.9882 237.4598 -203366.9265 2880.4731 0.0000 0.0000 51870.9602 -109378.4281 298.1031 -161249.3883 -109027.2967 299.2670 34.0201 64.5846 762654.0495 -5.2553 -5.3000 PRESSURE: 2377000 -291.737 156.799 -92.4592 156.799 -26.7086 51.6604 -92.4603 51.6598 -342.551 GPRESSURE: 2377000 -228.362 40.1019 -186.156 126.468 -40.7736 -89.8457 33.8108 108.249 -340.595 PRESSAVG: 2377000 22.3458 11.4396 -26.5208 11.4395 1.10265 68.2896 -26.5207 68.2896 -14.404 GPRESSAVG: 2377000 22.2311 8.86867 -25.876 12.5356 1.34404 67.2146 -25.3141 67.7541 -15.0432 TIMING: 2377000 CPU: 7425.79, 0.00311286/step Wall: 7425.79, 0.00311286/step, 2.26807 hours remaining, 235.792969 MB of memory in use. ENERGY: 2377000 3994.0889 20589.6943 14411.6385 258.2160 -203372.7207 2845.8606 0.0000 0.0000 52037.1502 -109236.0722 299.0582 -161273.2224 -108872.8345 299.2507 -220.3321 -203.2433 764063.2954 3.0148 2.8440 PRESSURE: 2377200 -85.6949 -13.9257 -153.863 -13.9256 257.271 2.86278 -153.862 2.86311 130.799 GPRESSURE: 2377200 7.06787 17.3731 -186.708 -9.73226 200.335 52.0393 -146.569 -19.3563 155.737 PRESSAVG: 2377200 -87.5083 -65.6896 -43.8551 -65.6896 25.4661 -55.7935 -43.8551 -55.7935 -9.51084 GPRESSAVG: 2377200 -86.7485 -64.9905 -45.9764 -67.1925 24.7605 -54.4224 -43.9685 -53.6348 -9.84775 TIMING: 2377200 CPU: 7426.42, 0.00311033/step Wall: 7426.42, 0.00311033/step, 2.26605 hours remaining, 236.062500 MB of memory in use. ENERGY: 2377200 4009.1037 20410.0003 14431.7922 259.2804 -203166.0000 2531.7620 0.0000 0.0000 52202.7051 -109321.3563 300.0097 -161524.0615 -108949.9734 299.5655 100.7914 121.0468 763214.6564 -23.8510 -23.9453 PRESSURE: 2377400 107.225 44.6702 -102.686 44.6706 207.581 193.471 -102.686 193.471 380.621 GPRESSURE: 2377400 178.309 10.9764 -46.3354 -28.7678 236.137 223.974 -168.608 169.248 364.921 PRESSAVG: 2377400 -37.4243 7.08859 1.73453 7.08865 56.9557 27.7735 1.73458 27.7735 18.5976 GPRESSAVG: 2377400 -37.8687 8.95892 4.11454 7.53141 56.4927 28.453 2.21731 25.1717 19.5409 TIMING: 2377400 CPU: 7427.04, 0.00309868/step Wall: 7427.04, 0.00309868/step, 2.25739 hours remaining, 236.062500 MB of memory in use. ENERGY: 2377400 3920.1395 20585.3362 14330.6326 255.5038 -203358.5313 2856.9729 0.0000 0.0000 52056.8029 -109353.1433 299.1712 -161409.9462 -108994.1353 299.5916 231.8089 259.7889 763158.8133 12.7097 12.7216 PRESSURE: 2377600 -425.382 120.265 50.0007 120.265 -13.7199 61.1699 50.0011 61.1688 -205.884 GPRESSURE: 2377600 -367.182 163.402 -76.6363 10.0429 -17.228 102.445 172.803 101.724 -176.77 PRESSAVG: 2377600 -62.7353 23.6684 -8.22727 23.6685 10.37 66.92 -8.2273 66.92 5.74015 GPRESSAVG: 2377600 -62.9671 22.6526 -10.0698 22.9547 10.5801 65.4268 -7.53609 66.63 6.24204 TIMING: 2377600 CPU: 7427.66, 0.00309874/step Wall: 7427.66, 0.00309874/step, 2.25726 hours remaining, 236.062500 MB of memory in use. ENERGY: 2377600 4045.5604 20516.1211 14421.9070 246.9698 -203630.2987 2825.6181 0.0000 0.0000 52231.5010 -109342.6213 300.1752 -161574.1223 -108980.0135 299.3806 -214.9952 -187.0598 762979.1311 -15.5417 -15.3816 PRESSURE: 2377800 -28.3198 -87.1303 87.8519 -87.1314 24.221 -188.24 87.8516 -188.239 -8.74599 GPRESSURE: 2377800 62.0212 -49.1993 118.924 -61.076 14.9893 -200.436 -0.365565 -135.586 -9.72061 PRESSAVG: 2377800 -19.4405 22.0351 -54.2966 22.035 7.56162 57.2978 -54.2966 57.2977 -19.9555 GPRESSAVG: 2377800 -18.1112 22.5287 -51.4249 23.067 7.24366 56.9284 -55.6116 57.5081 -21.2772 TIMING: 2377800 CPU: 7428.28, 0.00310704/step Wall: 7428.28, 0.00310704/step, 2.26313 hours remaining, 236.062500 MB of memory in use. ENERGY: 2377800 4004.1447 20444.4735 14334.6292 247.9950 -203477.3495 2818.5070 0.0000 0.0000 52268.3061 -109359.2940 300.3867 -161627.6001 -108988.1068 299.5347 -4.2816 22.4299 762517.1532 -10.6115 -10.7149 PRESSURE: 2378000 238.036 62.6161 -53.9963 62.6165 111.286 -78.6953 -53.9961 -78.6961 -225.191 GPRESSURE: 2378000 254.059 -63.35 -70.0509 3.94563 199.052 -8.45916 15.0665 -43.109 -240.452 PRESSAVG: 2378000 14.0836 -59.1178 -45.7972 -59.1177 -22.9257 22.3495 -45.7972 22.3495 7.61347 GPRESSAVG: 2378000 12.3064 -58.6258 -48.7361 -59.7888 -21.2271 22.5138 -46.099 22.5334 7.19621 TIMING: 2378000 CPU: 7428.9, 0.00309495/step Wall: 7428.9, 0.00309495/step, 2.25415 hours remaining, 236.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2378000 3988.4108 20422.5896 14357.8092 253.4797 -203375.8559 2847.8874 0.0000 0.0000 52207.0404 -109298.6388 300.0346 -161505.6793 -108934.4926 299.4774 41.3772 70.8863 762224.6173 -0.4096 -0.5749 PRESSURE: 2378200 -219.658 -96.4223 -96.8958 -96.423 -248.06 61.2532 -96.8961 61.253 108.048 GPRESSURE: 2378200 -160.634 -25.7666 -141.934 -76.7277 -220.605 79.1454 38.8925 -41.55 80.0962 PRESSAVG: 2378200 35.8472 -46.9436 -18.3009 -46.9435 -15.2148 -26.2829 -18.3009 -26.283 8.01536 GPRESSAVG: 2378200 36.0681 -48.6539 -17.282 -46.6313 -15.7318 -27.0966 -17.8956 -25.2895 8.1765 TIMING: 2378200 CPU: 7429.52, 0.00309838/step Wall: 7429.52, 0.00309838/step, 2.25648 hours remaining, 236.062500 MB of memory in use. ENERGY: 2378200 3988.7963 20508.5533 14460.0089 254.7190 -203590.1633 2725.6321 0.0000 0.0000 52363.8890 -109288.5648 300.9360 -161652.4538 -108925.3392 299.7153 -119.8900 -100.3809 761007.7572 9.5493 9.5043 PRESSURE: 2378400 250.624 185.314 81.2441 185.315 -122.751 83.7082 81.2438 83.7089 406.404 GPRESSURE: 2378400 240.771 150.718 17.5358 143.878 -143.259 45.0699 53.5425 43.5362 556.419 PRESSAVG: 2378400 12.0375 -5.02373 -64.6818 -5.02368 -27.88 9.49667 -64.6818 9.4967 -0.618573 GPRESSAVG: 2378400 12.5317 -5.76607 -64.4352 -3.49097 -29.0518 9.95604 -64.4654 6.62771 -0.0423344 TIMING: 2378400 CPU: 7430.14, 0.00309629/step Wall: 7430.14, 0.00309629/step, 2.25479 hours remaining, 236.062500 MB of memory in use. ENERGY: 2378400 3947.5847 20568.5002 14410.5588 257.1524 -203635.9961 2847.3928 0.0000 0.0000 52455.0711 -109149.7361 301.4600 -161604.8072 -108793.1924 300.1227 178.0921 217.9771 758989.0014 -5.4870 -5.5208 PRESSURE: 2378600 148.557 -181.719 -76.9692 -181.719 -145.892 9.01742 -76.9696 9.01659 -209.724 GPRESSURE: 2378600 135.558 -58.0673 -73.9029 -198.97 -105.884 59.0405 -94.6561 -14.2491 -164.986 PRESSAVG: 2378600 -37.2622 -50.4176 -28.251 -50.4176 39.1872 0.978859 -28.251 0.978783 7.07621 GPRESSAVG: 2378600 -37.8589 -47.1532 -28.2402 -49.3071 39.9382 1.52692 -28.6976 2.40035 6.9651 TIMING: 2378600 CPU: 7430.75, 0.00309596/step Wall: 7430.75, 0.00309596/step, 2.25438 hours remaining, 236.062500 MB of memory in use. ENERGY: 2378600 3995.9618 20522.6216 14382.7665 252.0716 -203390.6563 2793.7390 0.0000 0.0000 52191.2024 -109252.2935 299.9436 -161443.4959 -108885.5787 299.8230 -69.0199 -45.1041 762432.2096 3.0004 3.0148 PRESSURE: 2378800 -38.2959 -237.08 -122.815 -237.079 -192.859 59.0506 -122.814 59.0514 458.397 GPRESSURE: 2378800 104.95 -235.51 -2.97957 -184.055 -130.917 115.278 -100.127 78.468 339.557 PRESSAVG: 2378800 27.0672 -49.9043 0.0317472 -49.9044 -1.61735 1.8243 0.0317815 1.82429 3.96968 GPRESSAVG: 2378800 26.7187 -52.2401 0.317122 -51.0947 -1.47456 0.605832 0.834433 3.12494 4.01633 TIMING: 2378800 CPU: 7431.38, 0.00310926/step Wall: 7431.38, 0.00310926/step, 2.26389 hours remaining, 236.062500 MB of memory in use. ENERGY: 2378800 3997.5544 20539.4115 14367.9005 249.4793 -203177.0672 2740.7920 0.0000 0.0000 52010.2072 -109271.7223 298.9034 -161281.9296 -108913.2920 299.6255 75.7476 104.5300 763096.7186 9.8065 9.7535 PRESSURE: 2379000 423.052 16.2813 -155.323 16.2811 272.503 -116.274 -155.324 -116.273 106.665 GPRESSURE: 2379000 513.138 -60.1001 -199.711 3.05834 322.238 -53.1456 -132.185 -8.66633 54.9733 PRESSAVG: 2379000 16.1413 -32.0243 -36.5373 -32.0244 -12.3111 20.7886 -36.5372 20.7886 -16.1565 GPRESSAVG: 2379000 17.6066 -32.5431 -34.8872 -31.7827 -12.8987 24.1542 -38.1384 18.1147 -17.2618 TIMING: 2379000 CPU: 7432, 0.00311351/step Wall: 7432, 0.00311351/step, 2.26681 hours remaining, 236.062500 MB of memory in use. ENERGY: 2379000 3883.1417 20503.7324 14412.4237 249.0650 -203299.0530 2938.0696 0.0000 0.0000 52115.7166 -109196.9040 299.5097 -161312.6206 -108832.1459 299.6761 267.4068 296.7831 761104.6526 -4.1088 -4.1846 PRESSURE: 2379200 -245.773 -62.1212 -94.984 -62.1221 -39.1923 232.209 -94.9833 232.209 120.155 GPRESSURE: 2379200 -85.4599 -87.5728 -87.9197 -49.2724 -131.278 190.299 -15.9162 181.194 137.901 PRESSAVG: 2379200 -20.6504 -14.6266 12.9276 -14.6266 -16.4582 -10.175 12.9276 -10.1749 -7.65618 GPRESSAVG: 2379200 -19.7098 -14.9394 11.7896 -15.0582 -17.5075 -14.2567 14.1857 -7.57443 -7.4515 TIMING: 2379200 CPU: 7432.62, 0.00310849/step Wall: 7432.62, 0.00310849/step, 2.26298 hours remaining, 236.062500 MB of memory in use. ENERGY: 2379200 4007.5672 20620.8834 14419.2322 253.0338 -203226.1098 2605.8199 0.0000 0.0000 52296.0640 -109023.5094 300.5462 -161319.5734 -108658.2506 300.1744 -54.9368 -26.2790 761896.0081 -14.9216 -14.8896 PRESSURE: 2379400 -281.656 -145.866 59.2533 -145.866 -279.16 56.8708 59.2537 56.8717 -139.215 GPRESSURE: 2379400 -195.603 2.1506 140.001 -206.839 -380.46 27.001 -28.3755 -44.2209 -42.8913 PRESSAVG: 2379400 30.7729 -14.2419 -11.3529 -14.2419 -14.6311 -21.6949 -11.3529 -21.6949 30.9422 GPRESSAVG: 2379400 28.9399 -11.6724 -10.3278 -14.0742 -14.1161 -19.5344 -12.1885 -23.4987 31.7498 TIMING: 2379400 CPU: 7433.24, 0.00311193/step Wall: 7433.24, 0.00311193/step, 2.26531 hours remaining, 236.062500 MB of memory in use. ENERGY: 2379400 4013.7094 20531.6887 14390.1192 228.8780 -202990.4665 2556.0209 0.0000 0.0000 52367.5883 -108902.4620 300.9572 -161270.0502 -108544.5845 300.5750 -233.3438 -206.3180 761283.8698 15.6946 15.5246 PRESSURE: 2379600 -146.025 -218.138 -432.439 -218.138 -206.364 41.4965 -432.439 41.4966 -413.174 GPRESSURE: 2379600 -154.748 -249.227 -458.705 -190.283 -120.486 32.8213 -321.525 -9.86263 -401.893 PRESSAVG: 2379600 24.0845 17.0646 23.2852 17.0646 -3.89026 29.0166 23.2852 29.0165 -11.9428 GPRESSAVG: 2379600 23.8931 14.3064 23.6897 15.5167 -3.06402 26.3985 23.0021 30.6176 -12.2799 TIMING: 2379600 CPU: 7433.87, 0.00312997/step Wall: 7433.87, 0.00312997/step, 2.27827 hours remaining, 236.062500 MB of memory in use. ENERGY: 2379600 4066.2677 20415.7447 14396.1925 252.3113 -202628.1039 2319.3502 0.0000 0.0000 52314.9258 -108863.3118 300.6546 -161178.2376 -108492.3096 300.4473 -255.1877 -225.7092 763908.8197 2.7505 2.8497 PRESSURE: 2379800 -51.6921 -69.309 33.4873 -69.3089 124.489 113.835 33.4863 113.834 36.3719 GPRESSURE: 2379800 -47.4535 -21.7149 28.4896 -37.3445 135.121 88.9276 154.588 69.6629 95.9509 PRESSAVG: 2379800 -41.2406 6.18946 -44.1002 6.18946 64.8018 -3.77019 -44.1002 -3.7702 20.3474 GPRESSAVG: 2379800 -40.5101 6.68283 -46.614 6.37186 64.5199 -2.6673 -42.2671 -4.1348 19.5805 TIMING: 2379800 CPU: 7434.49, 0.00311428/step Wall: 7434.49, 0.00311428/step, 2.26667 hours remaining, 236.062500 MB of memory in use. ENERGY: 2379800 3969.4678 20545.2199 14413.4240 231.1488 -202637.4813 2353.9322 0.0000 0.0000 52393.4205 -108730.8682 301.1057 -161124.2887 -108373.0897 300.4372 36.3896 61.2061 762987.4645 14.6362 14.5301 PRESSURE: 2380000 -161.984 -133.374 -29.1978 -133.374 -188.527 29.9802 -29.1983 29.98 -663.662 GPRESSURE: 2380000 -39.4738 -108.188 -42.8369 -126.917 -231.659 68.4645 -41.2451 34.4174 -642.992 PRESSAVG: 2380000 -2.44731 3.76797 -37.8209 3.76799 48.2831 84.0142 -37.821 84.0143 -5.22285 GPRESSAVG: 2380000 -3.29798 2.91393 -35.7563 5.78576 48.0303 84.5547 -38.8304 83.7871 -3.67234 TIMING: 2380000 CPU: 7435.12, 0.00311938/step Wall: 7435.12, 0.00311938/step, 2.27021 hours remaining, 236.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2380000 4022.1587 20443.0100 14454.8779 237.4723 -202473.8350 2221.3940 0.0000 0.0000 52321.5427 -108773.3794 300.6926 -161094.9221 -108417.7871 300.7627 -338.0578 -304.7081 764646.0357 13.5377 13.6866 PRESSURE: 2380200 -324.104 23.9386 226.484 23.9383 -192.647 27.1889 226.484 27.189 74.2019 GPRESSURE: 2380200 -312.206 -10.6934 238.638 5.62942 -118.127 38.0377 232.738 19.0142 86.1822 PRESSAVG: 2380200 13.863 -21.3694 -9.11035 -21.3694 -24.0264 76.5277 -9.11037 76.5276 11.6185 GPRESSAVG: 2380200 14.2533 -22.1521 -9.24365 -21.5738 -23.7265 74.2263 -7.81891 77.5674 11.1161 TIMING: 2380200 CPU: 7435.74, 0.00312694/step Wall: 7435.74, 0.00312694/step, 2.27555 hours remaining, 236.062500 MB of memory in use. ENERGY: 2380200 4023.9301 20450.9919 14358.6902 230.7817 -202534.9221 2330.2650 0.0000 0.0000 52431.0577 -108709.2054 301.3220 -161140.2631 -108335.1975 300.6620 -147.5166 -114.7170 764021.4924 0.4851 0.5476 LDB: ============= START OF LOAD BALANCING ============== 7448.22 LDB: ============== END OF LOAD BALANCING =============== 7448.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7448.22 LDB: ============= START OF LOAD BALANCING ============== 7448.53 LDB: Largest compute 7078 load 0.029969 is 15.4% of average load 0.195021 LDB: Average compute 0.004419 is 2.3% of average load 0.195021 LDB: TIME 7448.54 LOAD: AVG 0.195021 MAX 0.216761 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.891 MB LDB: TIME 7448.54 LOAD: AVG 0.195021 MAX 0.216761 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.895 MB LDB: TIME 7448.54 LOAD: AVG 0.195021 MAX 0.216761 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.895 MB LDB: ============== END OF LOAD BALANCING =============== 7448.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7448.54 PRESSURE: 2380400 363.818 -80.1026 178.911 -80.1028 -66.3582 -3.4958 178.911 -3.496 65.5935 GPRESSURE: 2380400 467.208 -153.558 196.338 -83.1653 2.16226 -52.6788 156.813 16.8889 -34.9257 PRESSAVG: 2380400 80.3088 -59.1714 -45.3866 -59.1714 -85.8255 82.5827 -45.3866 82.5827 6.16176 GPRESSAVG: 2380400 80.2503 -60.2818 -46.7582 -59.4998 -86.8495 83.6961 -45.938 82.6208 7.39324 TIMING: 2380400 CPU: 7436.38, 0.0031818/step Wall: 7436.38, 0.0031818/step, 2.31529 hours remaining, 236.304688 MB of memory in use. ENERGY: 2380400 3989.2175 20640.9095 14418.2996 254.2151 -203066.7631 2645.6631 0.0000 0.0000 52269.7843 -108848.6740 300.3952 -161118.4584 -108488.6787 300.5840 121.0178 144.8147 762909.9660 0.2150 0.2647 PRESSURE: 2380600 -64.8853 114.412 20.7541 114.412 -420.034 8.40096 20.7543 8.40086 274.597 GPRESSURE: 2380600 -140.883 151.874 -20.4937 95.5408 -278.175 -4.80828 34.5884 80.7186 296.287 PRESSAVG: 2380600 50.4315 32.5851 -3.47683 32.5851 -49.2218 77.1942 -3.47691 77.1942 -20.3759 GPRESSAVG: 2380600 50.5677 35.4511 -2.84916 33.3726 -47.9525 78.949 -5.34775 74.6478 -22.1038 TIMING: 2380600 CPU: 7437, 0.00311014/step Wall: 7437, 0.00311014/step, 2.26297 hours remaining, 236.628906 MB of memory in use. ENERGY: 2380600 3962.8606 20569.1369 14422.5651 242.9439 -203318.7555 2852.2902 0.0000 0.0000 52454.5499 -108814.4088 301.4570 -161268.9587 -108450.2720 300.4110 -70.1074 -40.9236 763531.1762 -6.3887 -6.4962 PRESSURE: 2380800 44.8946 88.1212 -167.543 88.1219 -56.2399 140.305 -167.543 140.304 146.643 GPRESSURE: 2380800 57.2062 203.265 -262.99 106.431 61.7198 97.1495 -98.4589 78.5542 103.46 PRESSAVG: 2380800 37.8208 50.7517 -13.9299 50.7517 -6.66734 62.0567 -13.9299 62.0568 5.76323 GPRESSAVG: 2380800 37.0149 50.9596 -13.8444 49.6641 -6.49449 61.2487 -11.749 63.8369 6.6909 TIMING: 2380800 CPU: 7437.62, 0.00311297/step Wall: 7437.62, 0.00311297/step, 2.26486 hours remaining, 236.683594 MB of memory in use. ENERGY: 2380800 4046.2124 20485.8234 14425.2016 248.4437 -203247.8870 3040.0356 0.0000 0.0000 52129.1259 -108873.0445 299.5868 -161002.1704 -108506.7400 300.4326 45.0992 74.1288 764089.1698 12.3056 12.4038 PRESSURE: 2381000 75.5163 -172.801 80.5436 -172.8 9.3919 291.731 80.5437 291.731 -308.565 GPRESSURE: 2381000 166.373 -124.2 167.333 -61.1378 15.5365 248.222 -6.71959 143.533 -318.559 PRESSAVG: 2381000 -22.2994 -41.4432 45.6859 -41.4432 -23.1492 55.8789 45.6858 55.8789 -14.2864 GPRESSAVG: 2381000 -21.2403 -40.0442 47.0966 -42.4563 -23.3602 56.3417 44.5218 53.3009 -15.5929 TIMING: 2381000 CPU: 7438.25, 0.00311462/step Wall: 7438.25, 0.00311462/step, 2.26589 hours remaining, 236.683594 MB of memory in use. ENERGY: 2381000 3970.8711 20622.2671 14438.2550 241.9481 -202788.3680 2720.9854 0.0000 0.0000 51946.4507 -108847.5906 298.5370 -160794.0413 -108498.0976 299.9318 -74.5524 -45.5499 764230.1076 -19.9117 -20.0644 PRESSURE: 2381200 -17.1457 59.8916 71.0952 59.8916 188.876 30.6102 71.094 30.6101 -43.7834 GPRESSURE: 2381200 27.2407 156.383 -15.2372 -135.355 209.791 -12.6905 14.563 172.134 -14.3732 PRESSAVG: 2381200 47.9755 -52.4105 1.07935 -52.4106 -21.8865 58.5755 1.07938 58.5754 11.9583 GPRESSAVG: 2381200 46.8292 -53.3797 -1.33043 -52.6305 -21.4472 59.5851 2.7651 61.1234 12.9977 TIMING: 2381200 CPU: 7438.87, 0.00311432/step Wall: 7438.87, 0.00311432/step, 2.26549 hours remaining, 236.683594 MB of memory in use. ENERGY: 2381200 3990.5520 20658.9634 14351.9937 250.9712 -202957.7122 2774.6328 0.0000 0.0000 51940.9488 -108989.6502 298.5053 -160930.5990 -108631.5096 300.1891 42.6490 74.2195 762922.6087 12.6824 12.7932 PRESSURE: 2381400 -87.5173 -70.9289 -223.221 -70.9288 -82.6248 96.4388 -223.221 96.4391 92.0536 GPRESSURE: 2381400 -88.5861 -13.1019 -191.565 -131.961 -93.6361 28.6587 -353.207 44.565 197.751 PRESSAVG: 2381400 25.7076 -27.6639 -28.1739 -27.664 3.26303 -10.9524 -28.1739 -10.9523 2.04968 GPRESSAVG: 2381400 25.7647 -28.8539 -27.1996 -25.9734 3.07838 -9.54565 -27.3056 -11.893 2.37914 TIMING: 2381400 CPU: 7439.49, 0.00310841/step Wall: 7439.49, 0.00310841/step, 2.26102 hours remaining, 236.683594 MB of memory in use. ENERGY: 2381400 3990.2191 20800.4926 14393.7398 245.8974 -203484.6776 2882.6666 0.0000 0.0000 52116.2995 -109055.3626 299.5131 -161171.6621 -108697.8028 300.1563 -26.0295 5.1762 762913.0691 10.3401 10.4074 PRESSURE: 2381600 31.4079 -177.819 -120.346 -177.818 -107.929 -138.352 -120.344 -138.353 289.556 GPRESSURE: 2381600 65.4895 -139.265 -135.03 -188.683 -42.6467 -152.575 58.7477 -98.0667 264.67 PRESSAVG: 2381600 -5.2196 -61.8114 -45.2013 -61.8114 -4.50636 -13.254 -45.2013 -13.254 8.97085 GPRESSAVG: 2381600 -4.52535 -61.3566 -45.326 -63.1161 -4.38642 -15.7466 -47.7185 -14.0748 8.14249 TIMING: 2381600 CPU: 7440.11, 0.00309693/step Wall: 7440.11, 0.00309693/step, 2.2525 hours remaining, 236.683594 MB of memory in use. ENERGY: 2381600 3955.8213 20633.2678 14367.2496 234.6636 -202957.4101 2557.7062 0.0000 0.0000 52029.5050 -109179.1965 299.0143 -161208.7015 -108818.7608 299.8860 71.0115 95.8375 761753.5504 -0.2517 -0.2564 PRESSURE: 2381800 -200.791 -154.278 -51.7569 -154.277 -132.428 33.7638 -51.7572 33.7642 -311.427 GPRESSURE: 2381800 -125.238 -117.648 66.0676 -70.0117 -130.362 13.1888 -96.797 -86.096 -312.943 PRESSAVG: 2381800 53.5065 -42.9272 -3.04067 -42.9271 -26.9874 -13.1629 -3.04066 -13.1629 16.7691 GPRESSAVG: 2381800 54.2083 -41.25 -0.964265 -42.2427 -27.3958 -12.8472 -4.28953 -10.6039 16.7069 TIMING: 2381800 CPU: 7440.73, 0.0031103/step Wall: 7440.73, 0.0031103/step, 2.26205 hours remaining, 236.683594 MB of memory in use. ENERGY: 2381800 4030.1487 20443.4628 14404.2094 241.4168 -202931.4033 2449.9430 0.0000 0.0000 51950.5457 -109411.6768 298.5605 -161362.2226 -109044.7294 299.3727 -214.8820 -189.5144 762949.7382 14.4294 14.5065 PRESSURE: 2382000 40.3516 -21.7361 -13.431 -21.7362 -48.6801 35.1036 -13.431 35.1043 -128.45 GPRESSURE: 2382000 78.4667 10.6301 -14.4629 -79.7443 -16.0652 122.079 -175.285 69.4918 -115.778 PRESSAVG: 2382000 42.189 -44.0646 -11.2618 -44.0646 -49.4521 -6.25556 -11.2618 -6.2556 -5.37763 GPRESSAVG: 2382000 43.1601 -45.3178 -12.333 -44.8079 -50.131 -5.72045 -10.0759 -9.07286 -6.0406 TIMING: 2382000 CPU: 7441.35, 0.00310714/step Wall: 7441.35, 0.00310714/step, 2.25958 hours remaining, 236.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2382000 4010.7230 20542.4433 14451.1294 274.6065 -203250.2040 2824.2692 0.0000 0.0000 52036.9189 -109110.1137 299.0569 -161147.0326 -108754.3182 299.1832 -45.5928 -17.7921 763994.9883 -4.2136 -4.3372 PRESSURE: 2382200 39.9188 77.5291 -111.775 77.5291 -279.79 -39.2093 -111.774 -39.2109 -457.723 GPRESSURE: 2382200 17.3594 117.117 -160.638 90.0632 -191.551 -88.4606 -78.5039 108.274 -442.492 PRESSAVG: 2382200 18.1731 -37.7521 -7.6313 -37.7522 -14.1148 -5.73574 -7.63126 -5.73563 13.0789 GPRESSAVG: 2382200 17.3197 -37.5037 -7.05033 -37.167 -13.6788 -5.54135 -8.7579 -5.37557 13.7767 TIMING: 2382200 CPU: 7441.97, 0.00309233/step Wall: 7441.97, 0.00309233/step, 2.24864 hours remaining, 236.683594 MB of memory in use. ENERGY: 2382200 4024.8786 20424.8405 14506.9794 248.2255 -202914.3657 2632.0750 0.0000 0.0000 52030.2685 -109047.0981 299.0187 -161077.3666 -108683.7060 299.6636 -232.5315 -205.5613 763350.1123 5.7124 5.8058 PRESSURE: 2382400 -360.177 -35.0686 38.3039 -35.0682 -253.845 55.2941 38.3039 55.2935 -677.546 GPRESSURE: 2382400 -300.487 -14.3561 152.063 -57.8057 -173.42 -4.79644 -12.6612 18.7967 -709.299 PRESSAVG: 2382400 -30.892 -57.5058 6.17428 -57.5057 51.3259 14.6887 6.1743 14.6887 5.33407 GPRESSAVG: 2382400 -31.2223 -58.9137 5.01036 -57.1299 51.6471 13.5867 7.47272 13.5686 5.54082 TIMING: 2382400 CPU: 7442.59, 0.00311268/step Wall: 7442.59, 0.00311268/step, 2.26326 hours remaining, 236.683594 MB of memory in use. ENERGY: 2382400 3991.4008 20607.8105 14465.7795 249.7694 -202441.0894 2255.3064 0.0000 0.0000 51939.9585 -108931.0642 298.4997 -160871.0227 -108564.0047 299.9342 -430.5224 -394.4021 764569.3337 8.5893 8.6552 PRESSURE: 2382600 24.254 -367.659 -244.614 -367.66 -185.031 1.02381 -244.615 1.0224 -288.247 GPRESSURE: 2382600 31.6204 -162.914 -194.38 -294.544 -113.467 -18.0403 -180.596 -5.88436 -295.778 PRESSAVG: 2382600 14.3701 -19.394 -12.4092 -19.394 -10.6746 12.8799 -12.4092 12.8798 25.2454 GPRESSAVG: 2382600 15.1502 -15.8112 -13.1144 -20.2098 -10.294 13.6764 -10.8826 14.7942 24.7623 TIMING: 2382600 CPU: 7443.22, 0.00311924/step Wall: 7443.22, 0.00311924/step, 2.26786 hours remaining, 236.683594 MB of memory in use. ENERGY: 2382600 3997.0796 20605.7988 14447.0397 250.8888 -202902.5595 2523.7488 0.0000 0.0000 52167.8718 -108910.1320 299.8095 -161078.0038 -108553.6432 299.5354 -149.6748 -125.8747 764326.9437 9.6469 9.8728 PRESSURE: 2382800 -247.391 19.3457 -57.1521 19.3455 -219.104 115.101 -57.152 115.102 85.2858 GPRESSURE: 2382800 -293.928 -108.448 -30.5034 -73.082 -148.288 145.696 -107.078 43.0319 151.052 PRESSAVG: 2382800 -32.4277 -55.9225 -20.6103 -55.9225 4.04623 67.9919 -20.6103 67.992 0.516441 GPRESSAVG: 2382800 -33.6759 -58.5433 -18.9874 -54.2231 4.48832 69.0536 -22.7083 67.286 1.10455 TIMING: 2382800 CPU: 7443.84, 0.00311309/step Wall: 7443.84, 0.00311309/step, 2.26321 hours remaining, 236.683594 MB of memory in use. ENERGY: 2382800 4021.4084 20475.8521 14500.7836 232.8285 -202924.6678 2580.5180 0.0000 0.0000 52108.5409 -109004.7365 299.4685 -161113.2774 -108628.2855 299.8437 -127.0695 -97.0549 764422.1118 -9.2883 -9.3610 PRESSURE: 2383000 -209.474 -93.678 41.4317 -93.6788 18.318 118.55 41.4322 118.549 100.329 GPRESSURE: 2383000 -129.031 -28.1318 138.157 18.4647 14.6908 108.7 20.3021 83.8775 110.006 PRESSAVG: 2383000 1.91027 11.9848 9.30445 11.9847 13.5199 5.38915 9.30444 5.38918 31.8491 GPRESSAVG: 2383000 4.15662 11.9949 6.57367 10.9313 13.3579 6.18549 12.104 4.41483 30.0987 TIMING: 2383000 CPU: 7444.46, 0.00312379/step Wall: 7444.46, 0.00312379/step, 2.27082 hours remaining, 236.683594 MB of memory in use. ENERGY: 2383000 3984.5814 20324.0879 14408.7141 228.7789 -203324.0660 2792.3481 0.0000 0.0000 52347.7671 -109237.7886 300.8433 -161585.5558 -108859.6074 299.8543 -30.2757 -1.4447 763461.2206 15.7597 15.8711 PRESSURE: 2383200 308.012 46.2569 -210.055 46.2571 109.553 -8.25416 -210.055 -8.25269 -359.486 GPRESSURE: 2383200 189.301 17.4219 -130.54 72.0771 262.985 -60.3531 -191.63 29.817 -321.657 PRESSAVG: 2383200 -47.5062 22.948 6.72914 22.948 42.4205 32.8682 6.72917 32.8682 -6.08583 GPRESSAVG: 2383200 -47.9956 23.4442 9.26091 23.0155 41.5405 32.8575 4.28143 33.6336 -5.43749 TIMING: 2383200 CPU: 7445.09, 0.00314129/step Wall: 7445.09, 0.00314129/step, 2.28337 hours remaining, 236.683594 MB of memory in use. ENERGY: 2383200 3956.1271 20465.3347 14442.5702 252.9572 -203576.3523 2958.9237 0.0000 0.0000 52266.7483 -109233.6912 300.3777 -161500.4395 -108862.8776 299.4239 19.3598 43.5430 763022.1595 -3.7239 -3.9642 PRESSURE: 2383400 95.7406 92.3082 54.6022 92.308 187.83 -303.142 54.6023 -303.143 -171.463 GPRESSURE: 2383400 193.433 201.186 16.9327 -110.248 170.205 -212.565 -5.59714 -228.056 -182.778 PRESSAVG: 2383400 -52.8203 -8.60037 0.205225 -8.60039 33.3841 21.4534 0.205214 21.4533 16.6651 GPRESSAVG: 2383400 -53.7031 -6.82315 -0.807513 -10.0153 33.223 21.0478 0.720991 21.7263 17.0845 TIMING: 2383400 CPU: 7445.72, 0.00313329/step Wall: 7445.72, 0.00313329/step, 2.27738 hours remaining, 236.683594 MB of memory in use. ENERGY: 2383400 3974.1882 20581.3007 14482.4073 246.4731 -203303.8940 2861.6097 0.0000 0.0000 52142.4585 -109015.4566 299.6634 -161157.9151 -108656.2387 299.5396 37.3692 60.2869 762923.0720 -0.9237 -1.1319 PRESSURE: 2383600 158.847 -92.044 -23.2867 -92.0448 -238.315 74.4691 -23.2867 74.4692 -157.699 GPRESSURE: 2383600 162.059 -61.22 -61.3728 -120.983 -215.732 34.2446 -35.6431 62.365 -91.8596 PRESSAVG: 2383600 19.6053 5.85512 38.3125 5.85515 -2.07073 31.7323 38.3125 31.7324 -0.088831 GPRESSAVG: 2383600 19.5835 4.75329 38.7958 5.9503 -1.57835 32.4181 38.9106 30.8775 -0.347936 TIMING: 2383600 CPU: 7446.34, 0.00312288/step Wall: 7446.34, 0.00312288/step, 2.26964 hours remaining, 236.683594 MB of memory in use. ENERGY: 2383600 4057.9190 20523.8378 14422.3016 231.1161 -203090.1324 2697.7423 0.0000 0.0000 52195.9508 -108961.2647 299.9708 -161157.2155 -108599.8221 300.0148 -79.0555 -48.5107 762541.4311 5.8153 5.8857 PRESSURE: 2383800 -509.834 88.6013 -75.9393 88.6017 1.23428 27.7539 -75.9391 27.7545 -0.211435 GPRESSURE: 2383800 -521.238 73.045 36.7183 109.44 24.1032 -39.2121 -74.2249 91.7998 67.0205 PRESSAVG: 2383800 -11.5037 -35.6714 -3.37831 -35.6713 21.3174 -6.67589 -3.37832 -6.67587 0.76587 GPRESSAVG: 2383800 -11.5123 -36.7085 -2.53763 -34.7888 21.1873 -7.81138 -4.2415 -4.02273 0.634765 TIMING: 2383800 CPU: 7446.97, 0.00311915/step Wall: 7446.97, 0.00311915/step, 2.26676 hours remaining, 236.683594 MB of memory in use. ENERGY: 2383800 3978.4747 20500.3138 14401.4329 245.5733 -203231.8848 2558.9087 0.0000 0.0000 52548.7875 -108998.3938 301.9986 -161547.1813 -108625.4810 300.3620 -169.6036 -143.3714 762674.8864 3.5265 3.4366 PRESSURE: 2384000 44.3223 -388.179 24.8896 -388.179 201.115 -9.53425 24.8902 -9.53349 137.846 GPRESSURE: 2384000 234.287 -428.897 9.1515 -287.885 60.8392 -16.104 -23.6294 1.41705 173.775 PRESSAVG: 2384000 -14.7479 -7.41352 12.811 -7.4135 1.46939 -3.22363 12.811 -3.22363 -3.32889 GPRESSAVG: 2384000 -14.5736 -6.27577 11.3961 -5.99429 1.00652 -2.52837 15.308 -4.80621 -3.09243 TIMING: 2384000 CPU: 7447.6, 0.00313601/step Wall: 7447.6, 0.00313601/step, 2.27883 hours remaining, 236.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2384000 3918.6374 20444.0306 14442.4104 240.8831 -202918.8027 2683.2022 0.0000 0.0000 52142.6724 -109046.9666 299.6647 -161189.6389 -108675.2181 299.9501 127.7610 156.3005 763997.9620 -5.5358 -5.5532 PRESSURE: 2384200 87.5969 117.406 251.23 117.406 -253.38 -20.7217 251.229 -20.7222 -115.339 GPRESSURE: 2384200 36.2801 228.689 324.949 54.4116 -115.359 -108.29 289.988 -32.4309 -103.034 PRESSAVG: 2384200 -5.35702 0.914871 69.8706 0.914888 -3.91203 -86.8906 69.8706 -86.8906 6.32335 GPRESSAVG: 2384200 -4.57406 1.30174 71.3581 0.176455 -3.87313 -86.0209 67.8492 -88.3623 5.44349 TIMING: 2384200 CPU: 7448.22, 0.00313271/step Wall: 7448.22, 0.00313271/step, 2.27626 hours remaining, 236.683594 MB of memory in use. ENERGY: 2384200 3982.3078 20557.0517 14410.1014 235.7598 -203422.4388 2922.4065 0.0000 0.0000 52193.4391 -109121.3726 299.9564 -161314.8117 -108762.0781 299.6247 -93.7073 -60.7044 762801.4441 -0.9819 -1.0012 LDB: ============= START OF LOAD BALANCING ============== 7460.7 LDB: ============== END OF LOAD BALANCING =============== 7460.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7460.7 LDB: ============= START OF LOAD BALANCING ============== 7461.02 LDB: Largest compute 7069 load 0.030769 is 15.8% of average load 0.194997 LDB: Average compute 0.004407 is 2.3% of average load 0.194997 LDB: TIME 7461.02 LOAD: AVG 0.194997 MAX 0.216331 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.363 MB LDB: TIME 7461.02 LOAD: AVG 0.194997 MAX 0.216331 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.363 MB LDB: TIME 7461.02 LOAD: AVG 0.194997 MAX 0.216331 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.363 MB LDB: ============== END OF LOAD BALANCING =============== 7461.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7461.03 PRESSURE: 2384400 104.766 -127.751 -135.995 -127.751 -187.725 -213.966 -135.995 -213.966 -271.426 GPRESSURE: 2384400 183.982 -110.371 -113.755 -243.074 -255.768 -253.332 -142.392 -74.3027 -187.477 PRESSAVG: 2384400 -39.2657 3.62213 35.7099 3.62215 21.6302 13.3194 35.7098 13.3194 -8.52782 GPRESSAVG: 2384400 -40.3444 2.36888 34.3856 3.3503 20.6409 12.2366 36.0963 14.2614 -6.97069 TIMING: 2384400 CPU: 7448.86, 0.00320402/step Wall: 7448.86, 0.00320402/step, 2.3279 hours remaining, 234.035156 MB of memory in use. ENERGY: 2384400 4055.0308 20486.8980 14422.8914 276.3661 -203450.9540 2665.3497 0.0000 0.0000 52173.6956 -109370.7224 299.8429 -161544.4180 -109004.8604 299.2917 -118.1285 -86.4211 762735.3985 -8.7211 -8.8914 PRESSURE: 2384600 441.819 85.3896 35.8088 85.3896 493.962 -179.425 35.8088 -179.424 246.441 GPRESSURE: 2384600 548.422 70.0351 -22.0014 194.464 475.046 -146.43 100.598 -280.148 248.812 PRESSAVG: 2384600 -3.93428 -34.2831 49.3501 -34.283 16.9727 -19.8523 49.3501 -19.8524 -20.0528 GPRESSAVG: 2384600 -4.06809 -33.3464 47.6838 -34.5475 17.086 -20.7374 50.8169 -20.3517 -19.839 TIMING: 2384600 CPU: 7449.49, 0.00311662/step Wall: 7449.49, 0.00311663/step, 2.26423 hours remaining, 234.035156 MB of memory in use. ENERGY: 2384600 3942.2929 20469.0813 14467.7517 262.0904 -203645.2726 3114.8949 0.0000 0.0000 52047.3430 -109341.8184 299.1168 -161389.1615 -108973.7802 299.0010 394.0739 424.0936 761297.0248 -2.3381 -2.2737 PRESSURE: 2384800 255.71 200.013 -157.962 200.013 -166.95 234.294 -157.961 234.294 -10.1199 GPRESSURE: 2384800 269.735 173.564 -109.302 194.642 -144.442 284.928 -92.1334 142.574 39.77 PRESSAVG: 2384800 17.9161 20.2554 -10.169 20.2554 25.9191 -8.91105 -10.169 -8.91113 22.2006 GPRESSAVG: 2384800 17.1532 19.2884 -9.23951 19.3979 26.0469 -6.86368 -10.8834 -9.51724 22.9358 TIMING: 2384800 CPU: 7450.11, 0.0031282/step Wall: 7450.11, 0.0031282/step, 2.27246 hours remaining, 234.035156 MB of memory in use. ENERGY: 2384800 3900.7215 20585.0630 14479.0867 244.5692 -203667.1403 2916.3415 0.0000 0.0000 52118.3210 -109423.0375 299.5247 -161541.3585 -109057.2104 298.6060 26.2133 55.0210 761526.2016 22.0119 22.0453 PRESSURE: 2385000 -94.598 -80.4148 -154.624 -80.4143 -82.3524 -264.617 -154.624 -264.617 -333.881 GPRESSURE: 2385000 -107.908 -99.7123 -114.803 -200.784 -43.7892 -333.181 -36.3224 -241.464 -265.124 PRESSAVG: 2385000 51.875 -7.84373 -9.02562 -7.84378 -76.8332 -19.6668 -9.02563 -19.6668 18.7789 GPRESSAVG: 2385000 51.4774 -5.48787 -8.72175 -7.73073 -75.6041 -21.4977 -9.62836 -20.1513 18.1739 TIMING: 2385000 CPU: 7450.73, 0.00310856/step Wall: 7450.73, 0.00310856/step, 2.25802 hours remaining, 234.035156 MB of memory in use. ENERGY: 2385000 4042.4154 20706.9378 14471.6954 250.9879 -203405.3115 2759.5152 0.0000 0.0000 51969.5146 -109204.2452 298.6695 -161173.7598 -108850.7958 299.4056 -170.2771 -138.9404 763612.9103 -2.0597 -1.9843 PRESSURE: 2385200 -433.141 -12.173 -103.998 -12.1739 -55.9424 20.8978 -103.998 20.8981 185.534 GPRESSURE: 2385200 -293.8 40.7877 -40.1424 -93.3691 -22.8298 3.16828 -24.7098 29.552 113.917 PRESSAVG: 2385200 2.62998 -29.644 18.5097 -29.644 54.552 -21.7433 18.5096 -21.7433 16.6969 GPRESSAVG: 2385200 4.30523 -30.5244 18.8657 -30.1215 54.4156 -21.6814 19.9689 -18.3855 15.1002 TIMING: 2385200 CPU: 7451.36, 0.00312783/step Wall: 7451.36, 0.00312783/step, 2.27185 hours remaining, 234.035156 MB of memory in use. ENERGY: 2385200 4017.0073 20563.8933 14461.9977 244.2194 -203382.7741 2695.5593 0.0000 0.0000 51948.1500 -109451.9471 298.5467 -161400.0971 -109090.2740 298.9833 -101.1831 -67.5709 762452.3791 24.6263 24.6070 PRESSURE: 2385400 -215.55 -92.7262 -11.8856 -92.726 -63.1093 -184.334 -11.8853 -184.334 406.766 GPRESSURE: 2385400 -280.069 -13.7669 -34.3472 -145.925 11.506 -113.574 -66.0116 -143.942 488.997 PRESSAVG: 2385400 -35.5585 -16.191 28.4265 -16.191 25.5823 0.153824 28.4265 0.153838 -4.9978 GPRESSAVG: 2385400 -36.6712 -17.9181 26.8595 -14.7821 24.9309 0.495659 26.4437 -2.59861 -3.60514 TIMING: 2385400 CPU: 7451.98, 0.00312929/step Wall: 7451.98, 0.00312929/step, 2.27274 hours remaining, 234.035156 MB of memory in use. ENERGY: 2385400 3915.5481 20480.4946 14521.1588 234.8437 -203350.8996 2636.6332 0.0000 0.0000 51817.9251 -109744.2962 297.7983 -161562.2213 -109376.9095 298.7292 42.7024 73.4779 762981.4621 -4.9913 -5.1151 PRESSURE: 2385600 -310.47 72.4054 -66.011 72.4057 90.0049 -61.6602 -66.012 -61.6599 -124.2 GPRESSURE: 2385600 -223.013 143.846 28.8946 61.5648 84.1345 -91.3981 72.5799 -49.2528 -112.227 PRESSAVG: 2385600 -44.4435 -33.4665 48.3939 -33.4665 9.74638 -58.7917 48.3938 -58.7916 -11.644 GPRESSAVG: 2385600 -43.7423 -31.1153 48.8635 -32.6209 9.09019 -60.3288 49.0726 -57.6903 -11.9005 TIMING: 2385600 CPU: 7452.61, 0.00314408/step Wall: 7452.61, 0.00314408/step, 2.2833 hours remaining, 234.035156 MB of memory in use. ENERGY: 2385600 3983.6440 20377.2340 14417.7347 244.5874 -203630.2140 2613.8112 0.0000 0.0000 52011.4392 -109981.7635 298.9105 -161993.2027 -109607.6649 298.2408 -114.8882 -83.7017 762792.8714 -15.4470 -15.5176 PRESSURE: 2385800 102.101 -157.722 77.3589 -157.722 309.859 -153.236 77.3584 -153.236 271.874 GPRESSURE: 2385800 76.4776 -177.711 23.6937 -211.151 340.744 -189.972 124.756 -35.0436 355.612 PRESSAVG: 2385800 -37.0825 -33.215 14.7004 -33.215 69.3283 -39.1109 14.7004 -39.1109 -19.1642 GPRESSAVG: 2385800 -37.5831 -32.7059 15.377 -35.0245 70.5772 -38.0984 15.8313 -38.2774 -18.6758 TIMING: 2385800 CPU: 7453.24, 0.00313061/step Wall: 7453.24, 0.00313061/step, 2.27334 hours remaining, 234.035156 MB of memory in use. ENERGY: 2385800 3995.1078 20540.6752 14459.4867 249.0432 -204166.0502 3200.0696 0.0000 0.0000 51634.7271 -110086.9406 296.7455 -161721.6677 -109719.7287 298.1691 227.9443 257.6114 761242.7282 4.3605 4.7728 PRESSURE: 2386000 -99.1428 66.0062 23.7394 66.0062 278.975 -39.7526 23.7394 -39.7533 -34.2289 GPRESSURE: 2386000 34.9022 -17.5497 75.4644 43.2048 331.217 -131.476 103.724 -22.2815 -107.309 PRESSAVG: 2386000 -35.5111 -30.6949 24.4038 -30.6949 33.8802 -7.27573 24.4039 -7.2758 -7.69331 GPRESSAVG: 2386000 -35.4611 -32.5575 25.4097 -28.6109 34.6756 -6.41827 24.4804 -8.60495 -8.60199 TIMING: 2386000 CPU: 7453.86, 0.00312678/step Wall: 7453.86, 0.00312678/step, 2.27039 hours remaining, 234.035156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2386000 3937.3047 20436.7074 14452.4950 260.7762 -204135.3478 3114.9945 0.0000 0.0000 51811.0705 -110121.9995 297.7589 -161933.0699 -109764.3047 297.5989 48.5344 86.2702 761443.3066 -3.1081 -3.1292 PRESSURE: 2386200 218.8 -135.828 14.8375 -135.828 -169.801 -163.493 14.8366 -163.492 385.197 GPRESSURE: 2386200 288.604 -91.0072 -17.9879 -93.1007 -88.0199 -121.267 5.56226 -169.534 299.355 PRESSAVG: 2386200 11.3795 2.01353 36.2876 2.01349 -42.4247 2.66964 36.2875 2.66966 -1.37224 GPRESSAVG: 2386200 12.3134 1.31945 35.9899 3.09295 -44.0731 4.02415 34.4196 2.11733 -0.618043 TIMING: 2386200 CPU: 7454.49, 0.00310707/step Wall: 7454.49, 0.00310707/step, 2.2559 hours remaining, 234.035156 MB of memory in use. ENERGY: 2386200 4025.5466 20473.3851 14541.2906 234.5521 -204041.6898 2784.8927 0.0000 0.0000 51671.3148 -110310.7080 296.9558 -161982.0228 -109950.1719 297.3070 144.7320 166.6464 760444.2300 -10.8058 -10.7926 PRESSURE: 2386400 -112.687 182.141 274.994 182.142 485.45 -51.8535 274.994 -51.8535 58.4235 GPRESSURE: 2386400 -57.0035 114.995 230.399 262.495 491.938 -31.1831 207.29 -16.6753 67.2944 PRESSAVG: 2386400 12.1654 -14.2428 5.53322 -14.2429 6.80733 -8.33352 5.53326 -8.33358 4.14036 GPRESSAVG: 2386400 11.3386 -12.57 4.94046 -16.4288 7.29274 -8.92651 6.55666 -6.78923 4.64749 TIMING: 2386400 CPU: 7455.11, 0.00310353/step Wall: 7455.11, 0.00310353/step, 2.25316 hours remaining, 234.035156 MB of memory in use. ENERGY: 2386400 3931.7827 20631.7133 14403.9732 231.9226 -204146.8580 3015.5454 0.0000 0.0000 51960.1985 -109971.7224 298.6160 -161931.9209 -109613.1173 297.9197 143.7289 167.4095 759981.1813 7.7044 7.7596 PRESSURE: 2386600 -516.397 316.878 -7.43926 316.878 -476.573 214.517 -7.44 214.516 289.003 GPRESSURE: 2386600 -365.09 164.698 -111.629 284.777 -418.098 285.117 -52.6009 127.995 166.32 PRESSAVG: 2386600 30.0029 -13.8062 48.9668 -13.8062 14.4728 12.1597 48.9668 12.1598 -0.825427 GPRESSAVG: 2386600 31.2293 -13.0223 49.2221 -13.5304 14.6371 11.9062 49.6797 10.2708 -2.19693 TIMING: 2386600 CPU: 7455.73, 0.00311309/step Wall: 7455.73, 0.00311309/step, 2.25993 hours remaining, 234.035156 MB of memory in use. ENERGY: 2386600 3997.8497 20586.7553 14397.4811 237.5114 -203350.6691 2449.1491 0.0000 0.0000 51933.1187 -109748.8039 298.4603 -161681.9226 -109396.6942 298.4300 -234.6558 -205.6226 762250.3086 14.5501 14.5565 PRESSURE: 2386800 72.2049 -51.7939 -121.7 -51.7934 209.949 51.9098 -121.699 51.9106 496.519 GPRESSURE: 2386800 64.0411 -112.669 -95.5734 20.2279 264.028 124.695 -39.0578 71.7335 541.365 PRESSAVG: 2386800 -57.2616 -20.3889 40.2385 -20.3889 38.7606 66.045 40.2385 66.0449 15.7531 GPRESSAVG: 2386800 -57.7687 -19.1397 40.7194 -22.4553 38.7903 64.7658 39.9908 68.3764 16.4689 TIMING: 2386800 CPU: 7456.35, 0.00310627/step Wall: 7456.35, 0.00310627/step, 2.25481 hours remaining, 234.035156 MB of memory in use. ENERGY: 2386800 3993.6711 20428.1585 14387.7279 230.0490 -203917.7356 3049.4547 0.0000 0.0000 51914.6935 -109913.9810 298.3545 -161828.6745 -109569.4128 298.5344 259.5578 289.8111 761247.0036 -0.9160 -0.8365 PRESSURE: 2387000 -345.352 224.535 -58.3356 224.535 -49.5775 8.04071 -58.3358 8.03953 -360.189 GPRESSURE: 2387000 -264.742 159.024 29.6766 244.652 -84.0084 116.438 -72.2545 -113.298 -347.169 PRESSAVG: 2387000 -30.9033 -29.2981 42.9027 -29.2981 20.059 42.9274 42.9027 42.9275 4.11539 GPRESSAVG: 2387000 -31.466 -31.8057 42.3973 -25.879 20.7756 44.5563 41.9768 40.8594 3.92733 TIMING: 2387000 CPU: 7456.97, 0.00311638/step Wall: 7456.97, 0.00311638/step, 2.26197 hours remaining, 234.035156 MB of memory in use. ENERGY: 2387000 3932.2173 20425.4791 14440.2389 268.2242 -203480.9365 2730.0234 0.0000 0.0000 51952.9992 -109731.7545 298.5746 -161684.7537 -109370.3304 297.9694 -251.7062 -231.9731 763310.8885 -2.2430 -2.2544 PRESSURE: 2387200 -204.081 68.8428 -137.965 68.843 65.5552 69.6034 -137.965 69.6039 -153.495 GPRESSURE: 2387200 -203.769 147.851 -80.0131 102.448 103.794 100.415 -76.0239 129.966 -118.971 PRESSAVG: 2387200 -43.6808 -43.3748 4.63962 -43.3748 38.068 -3.46233 4.63963 -3.46234 -2.49354 GPRESSAVG: 2387200 -42.1984 -43.8356 4.17727 -45.0001 37.1491 -4.42043 5.96697 -3.16956 -3.55473 TIMING: 2387200 CPU: 7457.6, 0.00311216/step Wall: 7457.6, 0.00311216/step, 2.25874 hours remaining, 234.035156 MB of memory in use. ENERGY: 2387200 3989.7268 20458.0348 14425.4051 265.1305 -203643.2690 2885.0396 0.0000 0.0000 52017.6327 -109602.2996 298.9460 -161619.9322 -109246.7019 298.3052 -97.3404 -72.9819 763322.4862 -2.7021 -2.8680 PRESSURE: 2387400 -177.313 -108.186 207.562 -108.186 -134.131 55.8553 207.563 55.8556 -287.736 GPRESSURE: 2387400 -152.487 -205.496 94.0966 -173.409 -100.489 105.958 170.931 160.393 -258.951 PRESSAVG: 2387400 6.05511 17.7914 48.0105 17.7914 47.2404 20.3326 48.0105 20.3327 19.5823 GPRESSAVG: 2387400 3.98636 18.5554 47.8734 17.7737 47.6641 20.291 47.7571 22.4064 21.129 TIMING: 2387400 CPU: 7458.22, 0.00310766/step Wall: 7458.22, 0.00310766/step, 2.2553 hours remaining, 234.035156 MB of memory in use. ENERGY: 2387400 3994.5852 20492.2541 14434.5125 238.0979 -203177.7236 2613.0511 0.0000 0.0000 51877.7608 -109527.4621 298.1422 -161405.2229 -109161.7157 298.8376 -199.7268 -170.6425 763035.2702 24.2926 24.2598 PRESSURE: 2387600 146.982 -16.1696 193.886 -16.1688 270.261 216.741 193.887 216.741 91.7289 GPRESSURE: 2387600 224.483 -20.229 208.753 -66.8521 304.91 213.301 219.872 152.622 71.5464 PRESSAVG: 2387600 -60.801 0.946669 24.9822 0.946661 74.3218 40.1256 24.9822 40.1257 -0.304292 GPRESSAVG: 2387600 -59.9923 1.11941 27.2026 0.837776 74.2028 39.7253 22.7199 38.0316 -0.376549 TIMING: 2387600 CPU: 7458.84, 0.00309397/step Wall: 7458.84, 0.00309397/step, 2.24519 hours remaining, 234.035156 MB of memory in use. ENERGY: 2387600 3988.2300 20298.6244 14467.0576 248.2542 -203425.0320 2809.7842 0.0000 0.0000 51907.9473 -109705.1343 298.3157 -161613.0816 -109339.9699 298.5890 169.6575 200.3130 761677.5804 4.4055 4.6113 PRESSURE: 2387800 -149.074 43.6917 -6.24296 43.691 -70.0346 -109.331 -6.24243 -109.331 -199.249 GPRESSURE: 2387800 -106.42 31.6267 28.846 -20.8326 -106.008 -212.167 -5.90834 -12.9144 -112.604 PRESSAVG: 2387800 24.4159 75.8808 27.4443 75.8808 1.72776 26.5577 27.4443 26.5577 -18.4597 GPRESSAVG: 2387800 24.0057 74.8998 25.2937 75.9327 2.09416 26.2382 27.9002 28.0632 -19.2373 TIMING: 2387800 CPU: 7459.46, 0.00311404/step Wall: 7459.46, 0.00311404/step, 2.25958 hours remaining, 234.035156 MB of memory in use. ENERGY: 2387800 4000.7731 20416.3620 14350.8074 237.1921 -202951.2831 2506.9561 0.0000 0.0000 51864.2852 -109574.9071 298.0648 -161439.1923 -109212.6116 298.3609 -139.4523 -108.3440 763287.2517 2.5613 2.2875 PRESSURE: 2388000 -211.326 -35.6109 -176.363 -35.6097 -378.875 147.259 -176.362 147.259 -193.833 GPRESSURE: 2388000 -141.748 22.8104 -248.386 31.823 -331.683 155.311 -35.9803 58.9257 -226.375 PRESSAVG: 2388000 -39.338 25.715 20.4031 25.715 8.3365 50.3168 20.403 50.3169 7.1182 GPRESSAVG: 2388000 -38.5128 28.1483 21.3081 24.2893 8.08049 50.7404 19.6904 48.4273 7.00653 TIMING: 2388000 CPU: 7460.08, 0.0031119/step Wall: 7460.08, 0.0031119/step, 2.25786 hours remaining, 234.035156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2388000 3995.3503 20588.7385 14372.0245 258.3859 -203336.6825 2553.6344 0.0000 0.0000 52200.6575 -109367.8914 299.9979 -161568.5490 -109004.9439 298.6156 -261.3446 -233.2688 762241.1811 -7.9611 -7.8086 PRESSURE: 2388200 107.666 -23.8477 -124.857 -23.8478 -193.843 98.8293 -124.857 98.83 -15.7712 GPRESSURE: 2388200 89.9517 99.3823 13.1615 57.5601 -93.6811 39.7418 -71.3058 141.776 -28.564 PRESSAVG: 2388200 -29.4963 -7.05577 -18.0722 -7.05572 27.1923 20.4396 -18.0721 20.4396 5.27636 GPRESSAVG: 2388200 -30.3924 -9.30804 -17.4221 -4.81032 27.7118 20.0668 -15.4262 19.3471 5.71936 TIMING: 2388200 CPU: 7460.71, 0.00311898/step Wall: 7460.71, 0.00311898/step, 2.26282 hours remaining, 234.035156 MB of memory in use. ENERGY: 2388200 3985.9846 20434.9516 14407.7891 253.1829 -202998.6696 2439.9399 0.0000 0.0000 52041.4290 -109435.3925 299.0828 -161476.8215 -109079.5964 299.2901 -33.9824 -10.7645 762789.0266 0.9908 1.0129 LDB: ============= START OF LOAD BALANCING ============== 7473.19 LDB: ============== END OF LOAD BALANCING =============== 7473.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7473.19 LDB: ============= START OF LOAD BALANCING ============== 7473.5 LDB: Largest compute 7078 load 0.031577 is 16.2% of average load 0.195030 LDB: Average compute 0.004416 is 2.3% of average load 0.195030 LDB: TIME 7473.5 LOAD: AVG 0.19503 MAX 0.216174 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.227 MB LDB: TIME 7473.5 LOAD: AVG 0.19503 MAX 0.216174 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.434 MB LDB: TIME 7473.5 LOAD: AVG 0.19503 MAX 0.216174 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.434 MB LDB: ============== END OF LOAD BALANCING =============== 7473.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7473.51 PRESSURE: 2388400 386.9 35.0843 -127.116 35.0847 359.777 -152.079 -127.116 -152.08 -56.7718 GPRESSURE: 2388400 380.821 -37.947 -202.578 66.8035 430.761 -193.326 16.0189 -103.457 -31.0634 PRESSAVG: 2388400 -6.3409 -13.2262 -10.9924 -13.2262 11.879 26.1882 -10.9925 26.1882 -14.0107 GPRESSAVG: 2388400 -6.43973 -11.5522 -11.9288 -15.5448 11.6537 26.8225 -10.9186 27.5809 -13.3743 TIMING: 2388400 CPU: 7461.34, 0.00318916/step Wall: 7461.34, 0.00318916/step, 2.31356 hours remaining, 234.238281 MB of memory in use. ENERGY: 2388400 3997.0826 20432.4465 14437.4368 244.0347 -203605.3392 3150.5364 0.0000 0.0000 51968.9135 -109374.8888 298.6661 -161343.8023 -109010.0743 298.7701 229.9684 260.1727 761504.6517 -2.8242 -2.7201 PRESSURE: 2388600 -425.868 180.339 63.7257 180.338 -292.649 -30.4765 63.7253 -30.4778 -115.931 GPRESSURE: 2388600 -341.326 167.884 4.60331 154.153 -388.734 -29.2549 105.209 22.1392 -41.597 PRESSAVG: 2388600 1.55681 -6.82525 11.1218 -6.82523 6.26287 36.5392 11.1219 36.5392 -9.0341 GPRESSAVG: 2388600 1.26064 -9.16767 11.0799 -5.76546 6.55685 34.6674 10.6947 37.5676 -9.02546 TIMING: 2388600 CPU: 7461.97, 0.00311811/step Wall: 7461.97, 0.00311811/step, 2.26184 hours remaining, 234.238281 MB of memory in use. ENERGY: 2388600 4030.1718 20465.7562 14457.8917 256.6746 -203028.3702 2724.0035 0.0000 0.0000 51791.8656 -109302.0068 297.6486 -161093.8724 -108946.8189 299.1437 -278.1494 -257.2191 764070.9069 -0.4048 -0.4027 PRESSURE: 2388800 54.5019 19.1733 -91.098 19.1738 -144.161 -120.152 -91.0973 -120.152 -45.766 GPRESSURE: 2388800 -43.297 50.0931 -101.502 2.07359 -23.2421 -100.02 -82.562 -138.301 5.29084 PRESSAVG: 2388800 -59.1681 -33.8435 -17.4687 -33.8435 16.1038 7.76336 -17.4687 7.76342 -1.6591 GPRESSAVG: 2388800 -58.6185 -32.0667 -16.4423 -33.9098 16.9759 9.40918 -18.6011 7.02728 -2.3954 TIMING: 2388800 CPU: 7462.59, 0.00309429/step Wall: 7462.59, 0.00309429/step, 2.24439 hours remaining, 234.238281 MB of memory in use. ENERGY: 2388800 3997.2757 20561.1407 14403.8378 243.8606 -203448.5594 2904.0904 0.0000 0.0000 52197.4564 -109140.8978 299.9795 -161338.3542 -108782.1975 299.7963 -45.1418 -20.4161 763565.2149 -14.9078 -14.6793 PRESSURE: 2389000 94.2156 52.5979 121.766 52.5975 -72.8945 -38.6063 121.765 -38.6063 118.152 GPRESSURE: 2389000 106.483 68.8989 21.5285 107.511 -49.7783 -35.7301 129.422 -89.9967 134.983 PRESSAVG: 2389000 44.7803 -72.6631 73.9669 -72.6631 -9.34421 40.2262 73.9669 40.2262 -10.0289 GPRESSAVG: 2389000 44.0539 -73.0613 73.6197 -71.9477 -8.10518 39.7984 76.0747 41.8783 -9.89239 TIMING: 2389000 CPU: 7463.21, 0.00310028/step Wall: 7463.21, 0.00310028/step, 2.24856 hours remaining, 234.238281 MB of memory in use. ENERGY: 2389000 3918.6162 20410.7311 14576.7006 249.8092 -203506.7781 2813.6760 0.0000 0.0000 52285.9665 -109251.2786 300.4882 -161537.2451 -108891.8315 299.5000 46.4910 63.8958 761435.5410 8.4691 8.6854 PRESSURE: 2389200 230.187 174.232 115.568 174.232 -132.167 134.94 115.567 134.94 49.5067 GPRESSURE: 2389200 231.775 73.6223 100.386 110.67 -83.3265 164.121 79.8683 24.7447 89.0379 PRESSAVG: 2389200 39.7163 -37.939 19.9822 -37.939 -18.7515 50.8292 19.9821 50.8292 5.72687 GPRESSAVG: 2389200 39.5466 -35.0814 19.3393 -40.2046 -20.0134 50.8292 18.6769 47.6729 6.84771 TIMING: 2389200 CPU: 7463.83, 0.00310489/step Wall: 7463.83, 0.00310489/step, 2.25173 hours remaining, 234.238281 MB of memory in use. ENERGY: 2389200 4007.7205 20495.2988 14433.8985 257.6274 -203149.5847 2724.7134 0.0000 0.0000 52185.0669 -109045.2592 299.9083 -161230.3261 -108691.1677 299.7234 49.1756 79.1622 763397.5565 8.8972 8.7936 PRESSURE: 2389400 24.9737 71.286 -100.997 71.2861 -210.003 -95.4723 -100.998 -95.4718 80.3813 GPRESSURE: 2389400 15.3969 57.6304 -75.2471 40.609 -138.343 -169.706 54.089 -102.569 102.743 PRESSAVG: 2389400 -19.7648 21.7109 32.8021 21.711 31.546 -2.49917 32.8021 -2.49914 -25.2884 GPRESSAVG: 2389400 -19.0387 17.0368 33.5706 24.4621 32.0485 -4.4426 32.0702 -0.30319 -25.7355 TIMING: 2389400 CPU: 7464.45, 0.00310701/step Wall: 7464.45, 0.00310701/step, 2.2531 hours remaining, 234.238281 MB of memory in use. ENERGY: 2389400 4115.0078 20337.4215 14339.7496 263.8492 -203006.6397 2591.4733 0.0000 0.0000 52172.6081 -109186.5300 299.8367 -161359.1382 -108825.9732 299.5399 -34.8825 -6.7344 762743.7623 -4.5024 -4.2419 PRESSURE: 2389600 -109.596 23.5971 322.335 23.5971 97.7914 0.46362 322.334 0.463641 253.359 GPRESSURE: 2389600 -1.779 34.4926 324.025 -15.098 91.0315 70.3917 307.201 -4.2938 255.678 PRESSAVG: 2389600 -36.6656 -20.2128 38.8128 -20.2128 46.2094 -24.0737 38.8129 -24.0736 3.15698 GPRESSAVG: 2389600 -37.6691 -20.2741 38.1026 -20.4936 47.5245 -23.0855 40.4761 -25.4101 3.38779 TIMING: 2389600 CPU: 7465.07, 0.00311174/step Wall: 7465.07, 0.00311175/step, 2.25636 hours remaining, 234.238281 MB of memory in use. ENERGY: 2389600 3979.3005 20623.0082 14354.2764 231.4248 -203177.9775 2760.9084 0.0000 0.0000 51839.0018 -109390.0574 297.9195 -161229.0592 -109033.5378 298.8373 80.5181 114.9768 762442.7815 4.2336 4.4144 PRESSURE: 2389800 -312.838 -36.0621 292.718 -36.0618 -332.133 112.568 292.719 112.568 -58.0199 GPRESSURE: 2389800 -239.979 -19.6361 228.122 6.12547 -351.486 77.88 253.306 -2.91315 -16.9301 PRESSAVG: 2389800 21.4481 -37.9321 30.8975 -37.9321 -39.9527 8.27273 30.8975 8.27277 -12.2938 GPRESSAVG: 2389800 23.524 -35.7664 29.4166 -38.7443 -41.1162 9.26694 32.2958 7.18115 -13.4172 TIMING: 2389800 CPU: 7465.69, 0.0031042/step Wall: 7465.69, 0.0031042/step, 2.25072 hours remaining, 234.238281 MB of memory in use. ENERGY: 2389800 4042.1685 20594.0112 14421.1615 241.2088 -203172.6493 2382.9532 0.0000 0.0000 51921.1796 -109569.9666 298.3917 -161491.1462 -109214.9900 298.9059 -234.3305 -202.7984 762721.6639 -10.2662 -10.3365 PRESSURE: 2390000 -11.9354 17.5523 -18.0293 17.5516 -372.932 -40.9123 -18.0287 -40.9118 -370.98 GPRESSURE: 2390000 -62.122 -143.119 67.4646 42.9951 -288.22 -76.9552 -103.99 -15.4706 -321.932 PRESSAVG: 2390000 -17.7405 -30.2413 54.8226 -30.2414 -18.4115 -0.566828 54.8226 -0.566793 5.10221 GPRESSAVG: 2390000 -18.2124 -30.9204 55.9878 -29.4792 -19.2174 -1.61218 52.4212 2.61724 6.32666 TIMING: 2390000 CPU: 7466.32, 0.00311968/step Wall: 7466.32, 0.00311968/step, 2.26177 hours remaining, 234.238281 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: 2390000 4060.9561 20517.4079 14388.9922 246.6855 -203238.2309 2646.5130 0.0000 0.0000 51878.9853 -109498.6909 298.1492 -161377.6762 -109142.0960 299.0436 -251.9493 -224.0911 763096.6945 -10.3499 -10.3677 PRESSURE: 2390200 -185.078 61.8775 -15.2248 61.8771 -44.2349 -40.5791 -15.2236 -40.5789 -495.038 GPRESSURE: 2390200 -86.2947 69.5811 -25.4175 56.5432 -95.0351 -39.295 67.0868 80.1068 -478.053 PRESSAVG: 2390200 11.0292 10.1279 11.0902 10.1279 -13.7473 -5.15212 11.0903 -5.15218 0.155371 GPRESSAVG: 2390200 11.0988 12.5282 12.1058 8.71449 -13.1927 -4.90648 11.6379 -5.48802 -0.543625 TIMING: 2390200 CPU: 7466.94, 0.0031045/step Wall: 7466.94, 0.0031045/step, 2.25059 hours remaining, 234.238281 MB of memory in use. ENERGY: 2390200 3934.3742 20511.3361 14380.6970 251.3714 -203141.0234 2545.8148 0.0000 0.0000 51879.5167 -109637.9131 298.1523 -161517.4299 -109276.2638 298.8944 -241.4502 -219.7942 763722.7599 -0.8543 -0.8792 PRESSURE: 2390400 -85.9165 217.693 172.892 217.693 148.773 -113.364 172.893 -113.365 157.073 GPRESSURE: 2390400 -78.0094 265.97 125.612 183.471 128.729 -94.1023 245.523 -120.92 257.16 PRESSAVG: 2390400 -66.7089 30.9362 11.6841 30.9361 18.2353 -66.8157 11.6842 -66.8158 -3.59051 GPRESSAVG: 2390400 -66.7334 31.0354 10.523 31.9067 18.2309 -66.1858 10.2338 -68.3623 -3.46467 TIMING: 2390400 CPU: 7467.56, 0.00311668/step Wall: 7467.56, 0.00311668/step, 2.25924 hours remaining, 234.238281 MB of memory in use. ENERGY: 2390400 3909.2615 20565.3072 14409.5145 251.5031 -203778.5591 3019.4456 0.0000 0.0000 51945.8989 -109677.6282 298.5338 -161623.5271 -109322.9908 298.6888 73.3100 102.6263 760681.3782 -17.3547 -17.3224 PRESSURE: 2390600 187.789 -144.754 34.4989 -144.753 -199.382 -8.3647 34.4994 -8.36473 -108.48 GPRESSURE: 2390600 196.913 -65.5965 -2.73318 29.2274 -170.058 -15.7662 89.65 46.6387 -76.8224 PRESSAVG: 2390600 -24.1889 -37.4451 41.4812 -37.4451 43.1805 -6.0935 41.4812 -6.09349 25.1373 GPRESSAVG: 2390600 -25.0003 -37.4527 39.7367 -37.9749 43.6592 -6.27291 43.1583 -5.35006 25.4342 TIMING: 2390600 CPU: 7468.18, 0.00310694/step Wall: 7468.18, 0.00310694/step, 2.25201 hours remaining, 234.238281 MB of memory in use. ENERGY: 2390600 3956.8670 20547.7189 14377.4550 245.2653 -203374.2979 2654.7077 0.0000 0.0000 52032.6423 -109559.6418 299.0323 -161592.2841 -109196.9115 298.8222 -40.0247 -16.6560 762265.1945 14.7096 14.6977 PRESSURE: 2390800 -58.034 -162.939 -80.934 -162.939 51.6777 -100.241 -80.934 -100.241 294.148 GPRESSURE: 2390800 -83.6412 -106.908 -99.8364 -138.758 136.969 3.67631 -38.6347 -171.214 324.325 PRESSAVG: 2390800 10.7433 21.8003 40.2647 21.8003 -25.7188 57.4794 40.2647 57.4795 -2.01593 GPRESSAVG: 2390800 10.2968 23.077 43.1103 21.6818 -24.6163 57.0738 37.3158 56.9241 -3.21803 TIMING: 2390800 CPU: 7468.8, 0.00311315/step Wall: 7468.8, 0.00311315/step, 2.25634 hours remaining, 234.238281 MB of memory in use. ENERGY: 2390800 4003.4559 20486.7426 14356.3180 244.4487 -203809.0821 3276.7268 0.0000 0.0000 51850.9516 -109590.4386 297.9881 -161441.3901 -109233.3374 298.8897 95.9306 125.8844 761764.9089 -5.6638 -5.8459 PRESSURE: 2391000 -33.6675 183.116 -133.436 183.115 0.395806 210.318 -133.436 210.319 -121.263 GPRESSURE: 2391000 14.9997 152.451 -167.153 122.726 -31.7084 185.045 -166.651 176.615 -70.194 PRESSAVG: 2391000 49.2117 14.9588 -18.4702 14.9589 -24.0104 26.3539 -18.4702 26.3539 30.169 GPRESSAVG: 2391000 50.1201 12.2775 -20.3913 16.8388 -26.2369 28.0068 -16.2467 25.6683 31.1947 TIMING: 2391000 CPU: 7469.43, 0.00311263/step Wall: 7469.43, 0.00311263/step, 2.25579 hours remaining, 234.238281 MB of memory in use. ENERGY: 2391000 3916.2313 20542.2176 14425.2229 229.4464 -202904.7388 2487.7137 0.0000 0.0000 51878.6147 -109425.2923 298.1471 -161303.9070 -109065.3537 298.6654 -51.5117 -28.9676 762458.5424 18.4568 18.3593 PRESSURE: 2391200 159.033 -40.0991 226.592 -40.0981 6.30847 8.57859 226.592 8.57883 159.112 GPRESSURE: 2391200 169.186 35.0651 221.103 -177.317 77.8951 39.9295 186.195 2.85214 169.582 PRESSAVG: 2391200 82.0291 9.91534 12.831 9.91529 -6.88638 16.4673 12.831 16.4673 -11.2873 GPRESSAVG: 2391200 82.6385 10.3845 14.7269 7.33521 -5.41733 14.6991 11.2056 16.3786 -13.0413 TIMING: 2391200 CPU: 7470.05, 0.00310064/step Wall: 7470.05, 0.00310064/step, 2.24693 hours remaining, 234.238281 MB of memory in use. ENERGY: 2391200 3920.0775 20270.2237 14437.5544 258.6168 -203524.1184 3060.7929 0.0000 0.0000 52242.1394 -109334.7138 300.2363 -161576.8532 -108979.2080 299.0112 108.1511 138.8877 762402.9094 21.2852 21.3933 PRESSURE: 2391400 -258.556 197.87 -186.465 197.87 -288.017 -232.151 -186.464 -232.152 -711.039 GPRESSURE: 2391400 -284.013 147.163 -151.375 168.495 -175.959 -268.371 -209.257 -54.9432 -701.97 PRESSAVG: 2391400 26.768 42.9634 43.871 42.9634 -26.4051 -9.36307 43.8711 -9.36313 15.524 GPRESSAVG: 2391400 25.3749 41.2057 44.5722 45.3671 -26.6231 -9.27692 45.5976 -7.15095 16.8905 TIMING: 2391400 CPU: 7470.67, 0.00309929/step Wall: 7470.67, 0.00309929/step, 2.24578 hours remaining, 234.238281 MB of memory in use. ENERGY: 2391400 4037.9708 20222.2055 14433.3954 229.0948 -203365.1851 2880.6094 0.0000 0.0000 52101.0207 -109460.8884 299.4253 -161561.9091 -109100.3114 298.5522 -419.2040 -387.3142 763587.3179 5.2957 5.2141 PRESSURE: 2391600 -153.197 96.1133 197.192 96.113 -81.4691 109.288 197.193 109.289 73.9363 GPRESSURE: 2391600 -118.556 214.282 200.518 34.8327 0.224602 148.296 201.604 39.1243 49.9188 PRESSAVG: 2391600 49.0432 3.00159 33.7257 3.00154 19.2744 -40.9029 33.7256 -40.9029 5.35669 GPRESSAVG: 2391600 49.1774 6.11374 32.2568 0.193237 19.282 -41.4762 33.847 -41.2478 5.54645 TIMING: 2391600 CPU: 7471.29, 0.00311127/step Wall: 7471.29, 0.00311127/step, 2.25429 hours remaining, 234.238281 MB of memory in use. ENERGY: 2391600 4053.2881 20521.4472 14372.0849 224.4321 -203239.1965 2728.5143 0.0000 0.0000 51869.8146 -109469.6152 298.0965 -161339.4298 -109104.1604 298.7636 -53.5765 -22.8041 764122.8912 24.5581 24.6686 PRESSURE: 2391800 -251.735 13.8292 132.511 13.8288 264.618 -305.355 132.512 -305.357 25.5761 GPRESSURE: 2391800 -126.389 106.784 135.616 -39.257 212.255 -318.528 69.6401 -312.172 36.8944 PRESSAVG: 2391800 -6.5055 24.5753 -49.0901 24.5752 -5.0918 -7.76642 -49.0901 -7.76641 -8.18148 GPRESSAVG: 2391800 -4.85364 23.674 -47.9718 25.6978 -5.83588 -6.30993 -50.5589 -9.29612 -8.74233 TIMING: 2391800 CPU: 7471.91, 0.00310637/step Wall: 7471.91, 0.00310637/step, 2.25057 hours remaining, 234.238281 MB of memory in use. ENERGY: 2391800 3961.2767 20468.1413 14325.9352 257.7452 -203548.1221 3044.5460 0.0000 0.0000 52030.4314 -109460.0463 299.0196 -161490.4776 -109095.9422 298.8857 12.8198 40.9201 763393.2800 -6.5929 -6.4773 PRESSURE: 2392000 -448.751 65.1181 125.243 65.1179 -725.787 -35.1923 125.242 -35.1923 34.2485 GPRESSURE: 2392000 -486.507 -11.4424 126.47 6.77372 -626.976 -66.0497 128.833 -28.2211 42.8048 PRESSAVG: 2392000 -15.4721 31.1687 -17.1082 31.1687 8.36805 -43.4326 -17.1082 -43.4326 10.1655 GPRESSAVG: 2392000 -16.2028 30.9746 -18.3521 30.0621 8.20566 -45.2814 -14.4825 -42.4654 10.0491 TIMING: 2392000 CPU: 7472.53, 0.00311181/step Wall: 7472.53, 0.00311181/step, 2.25433 hours remaining, 234.238281 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: 2392000 4058.8266 20319.4157 14360.6952 263.2677 -203191.5669 2721.7831 0.0000 0.0000 52007.5455 -109460.0332 298.8881 -161467.5786 -109093.3811 298.9471 -380.0966 -356.8927 763508.7758 1.0205 0.6840 PRESSURE: 2392200 -182.495 22.1426 132.696 22.1413 -396.5 152.832 132.696 152.833 -191.724 GPRESSURE: 2392200 -163.659 -11.9706 19.1702 80.9134 -346.051 210.797 137.974 50.6502 -177.604 PRESSAVG: 2392200 21.9723 34.2703 51.3795 34.2703 -59.1803 -1.6506 51.3795 -1.65052 18.0774 GPRESSAVG: 2392200 21.5471 35.1093 51.5528 34.4936 -58.2795 -1.952 49.2003 -3.19207 17.8972 TIMING: 2392200 CPU: 7473.15, 0.00310225/step Wall: 7473.15, 0.00310225/step, 2.24724 hours remaining, 234.238281 MB of memory in use. ENERGY: 2392200 4022.6102 20690.2650 14428.1957 262.6628 -203273.8729 2622.1580 0.0000 0.0000 52059.6730 -109188.3082 299.1877 -161247.9811 -108831.9650 299.3215 -256.9065 -229.1046 762654.8424 -6.3769 -6.2784 LDB: ============= START OF LOAD BALANCING ============== 7485.63 LDB: ============== END OF LOAD BALANCING =============== 7485.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7485.63 LDB: ============= START OF LOAD BALANCING ============== 7485.94 LDB: Largest compute 7068 load 0.030709 is 15.7% of average load 0.194980 LDB: Average compute 0.004423 is 2.3% of average load 0.194980 LDB: TIME 7485.95 LOAD: AVG 0.19498 MAX 0.217143 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.562 MB LDB: TIME 7485.95 LOAD: AVG 0.19498 MAX 0.217143 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.762 MB LDB: TIME 7485.95 LOAD: AVG 0.19498 MAX 0.217143 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.762 MB LDB: ============== END OF LOAD BALANCING =============== 7485.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7485.95 PRESSURE: 2392400 -127.383 14.7404 -177.287 14.7404 381.28 -157.189 -177.286 -157.189 125.193 GPRESSURE: 2392400 -55.2932 77.9863 -264.281 -64.4267 404.17 -210.902 -92.0479 -43.9993 100.735 PRESSAVG: 2392400 48.4089 57.49 14.1138 57.49 -39.2755 20.6789 14.1138 20.6789 9.41737 GPRESSAVG: 2392400 49.1821 57.475 12.7107 56.5115 -40.3389 19.3444 16.5492 22.1932 9.09194 TIMING: 2392400 CPU: 7473.79, 0.00318091/step Wall: 7473.79, 0.00318091/step, 2.30404 hours remaining, 235.390625 MB of memory in use. ENERGY: 2392400 3971.3697 20410.0464 14480.7420 254.8682 -203388.0707 2876.2636 0.0000 0.0000 51951.1834 -109443.5975 298.5642 -161394.7809 -109087.5466 299.2095 126.3632 149.8704 760631.6860 6.1836 5.9784 PRESSURE: 2392600 130.098 -31.1071 90.5827 -31.1066 251.856 -5.94659 90.5829 -5.94799 90.8457 GPRESSURE: 2392600 220.682 -46.7222 16.7894 59.7082 280.966 36.6204 109.08 36.3065 54.4178 PRESSAVG: 2392600 -10.966 -25.5743 5.13757 -25.5742 15.9801 -28.8136 5.13753 -28.8136 28.7189 GPRESSAVG: 2392600 -11.6569 -26.5226 8.31645 -22.2058 16.489 -26.4313 1.64385 -29.2944 28.7839 TIMING: 2392600 CPU: 7474.41, 0.00311918/step Wall: 7474.41, 0.00311918/step, 2.25915 hours remaining, 235.714844 MB of memory in use. ENERGY: 2392600 4084.1394 20650.7774 14394.9401 262.3192 -203220.3153 2753.5919 0.0000 0.0000 51652.4704 -109422.0768 296.8475 -161074.5472 -109063.4324 298.7810 157.5997 185.3552 762025.5980 11.2443 11.2053 PRESSURE: 2392800 54.6687 30.2409 -270.88 30.2411 -174.073 -226.046 -270.88 -226.046 172.96 GPRESSURE: 2392800 -60.2127 -81.0203 -170.657 -28.8997 -49.574 -227.587 -276.125 -261.84 233.469 PRESSAVG: 2392800 -62.0796 5.08259 -42.7397 5.08257 98.7633 -24.939 -42.7398 -24.939 3.25817 GPRESSAVG: 2392800 -61.3128 6.46297 -45.4987 3.4625 98.0074 -26.2879 -39.942 -23.754 2.7437 TIMING: 2392800 CPU: 7475.03, 0.00310305/step Wall: 7475.03, 0.00310305/step, 2.2473 hours remaining, 235.714844 MB of memory in use. ENERGY: 2392800 3956.3478 20547.8998 14383.1671 247.4245 -203179.2156 2787.2370 0.0000 0.0000 51894.7999 -109362.3394 298.2401 -161257.1393 -109005.5454 299.0304 17.8519 41.2273 763403.6555 13.3140 13.1461 PRESSURE: 2393000 -242.34 -1.54211 146.054 -1.54203 -112.55 -149.432 146.054 -149.433 -432.776 GPRESSURE: 2393000 -281.325 -140.024 210.175 31.5411 -70.0626 -230.652 43.7456 -255.069 -347.825 PRESSAVG: 2393000 -33.9024 -35.0712 -46.3461 -35.0712 20.7023 -26.4397 -46.3461 -26.4397 12.4163 GPRESSAVG: 2393000 -34.891 -36.6844 -44.9082 -34.6525 21.8311 -23.8513 -46.7974 -28.6644 12.1544 TIMING: 2393000 CPU: 7475.66, 0.00311271/step Wall: 7475.66, 0.00311271/step, 2.25412 hours remaining, 235.714844 MB of memory in use. ENERGY: 2393000 3966.9193 20394.4782 14416.5420 251.7432 -203347.9779 2898.4495 0.0000 0.0000 52076.5827 -109343.2630 299.2848 -161419.8458 -108978.1284 299.2658 -262.5554 -233.0709 762368.6329 -0.2613 -0.3018 PRESSURE: 2393200 -474.67 -227.251 67.7694 -227.251 -0.0259978 -3.82346 67.7693 -3.82456 24.3545 GPRESSURE: 2393200 -355.323 -232.615 71.5184 -232.058 25.9647 -56.824 20.1936 -89.5623 -12.6891 PRESSAVG: 2393200 -14.7564 -12.2102 10.1718 -12.2102 9.04202 -44.4182 10.1717 -44.4182 23.7493 GPRESSAVG: 2393200 -15.158 -12.9261 8.72342 -11.8401 7.75486 -46.7758 9.60573 -43.5959 24.9178 TIMING: 2393200 CPU: 7476.28, 0.00309643/step Wall: 7476.28, 0.00309644/step, 2.24216 hours remaining, 235.714844 MB of memory in use. ENERGY: 2393200 3978.0685 20460.2697 14464.7340 240.1841 -203223.0601 2957.8230 0.0000 0.0000 52158.2411 -108963.7396 299.7541 -161121.9807 -108603.6926 299.4107 -150.1140 -114.0157 763206.9371 6.0116 5.8382 PRESSURE: 2393400 -195.368 -271.285 -91.878 -271.286 -300.065 -202.282 -91.8785 -202.282 -338.638 GPRESSURE: 2393400 -179.484 -237.967 90.3574 -216.374 -139.827 -159.767 -78.387 -106.066 -423.531 PRESSAVG: 2393400 -61.9053 -15.1297 6.9604 -15.1297 78.1951 -27.7654 6.96039 -27.7654 3.8418 GPRESSAVG: 2393400 -61.0313 -13.2179 6.26502 -15.5915 79.4189 -26.1839 7.10076 -26.2248 2.15379 TIMING: 2393400 CPU: 7476.9, 0.00312847/step Wall: 7476.9, 0.00312847/step, 2.26518 hours remaining, 235.714844 MB of memory in use. ENERGY: 2393400 4003.7145 20555.2135 14468.2240 265.4143 -202751.1297 2556.8649 0.0000 0.0000 52164.4435 -108737.2551 299.7898 -160901.6986 -108381.1158 300.1662 -278.0237 -247.6138 763998.9176 6.7105 6.8471 PRESSURE: 2393600 -303.531 -26.7645 -99.7665 -26.7648 326.009 208.947 -99.7663 208.948 344.13 GPRESSURE: 2393600 -204.676 -42.3862 -170.239 62.8505 354.651 170.424 -164.812 254.291 298.641 PRESSAVG: 2393600 1.28311 -80.1587 10.5999 -80.1587 -4.37185 20.9423 10.6 20.9422 2.19192 GPRESSAVG: 2393600 1.73197 -81.4625 11.1495 -80.5728 -4.94789 21.4462 8.58655 20.6455 2.75675 TIMING: 2393600 CPU: 7477.53, 0.00313519/step Wall: 7477.53, 0.00313519/step, 2.26988 hours remaining, 235.714844 MB of memory in use. ENERGY: 2393600 4037.2888 20450.1613 14453.7539 250.6088 -202925.7284 2559.8805 0.0000 0.0000 52403.1219 -108770.9131 301.1615 -161174.0350 -108398.5621 300.1252 122.2024 149.5385 763017.0794 -0.2989 -0.1531 PRESSURE: 2393800 -42.3282 -27.9106 26.0503 -27.9098 8.46487 -99.0478 26.0496 -99.0485 184.057 GPRESSURE: 2393800 -76.6989 -23.195 51.6337 16.3539 46.2849 -45.7578 104.824 -185.952 253.221 PRESSAVG: 2393800 -13.5513 6.5651 19.2533 6.56508 16.5608 -9.44376 19.2533 -9.44375 -9.03602 GPRESSAVG: 2393800 -13.2331 7.49042 18.1879 6.75021 15.5335 -10.2042 23.3707 -12.0666 -8.11378 TIMING: 2393800 CPU: 7478.15, 0.00312423/step Wall: 7478.15, 0.00312423/step, 2.26177 hours remaining, 235.714844 MB of memory in use. ENERGY: 2393800 3994.8649 20503.2749 14492.5484 242.3044 -202995.8239 2564.2920 0.0000 0.0000 52049.7443 -109148.7949 299.1306 -161198.5392 -108783.4755 299.6300 50.0645 74.2691 763601.3508 -2.0088 -1.9378 PRESSURE: 2394000 -246.351 -63.8499 -33.2134 -63.8504 -299.591 -41.3377 -33.2133 -41.3374 -19.2684 GPRESSURE: 2394000 -312.16 30.2346 -62.4876 -78.0826 -202.241 -51.1712 62.3603 81.0331 20.0505 PRESSAVG: 2394000 -57.4745 -11.0696 41.9992 -11.0696 68.2623 -18.2503 41.9992 -18.2503 -20.2704 GPRESSAVG: 2394000 -56.494 -9.98413 43.0506 -12.4592 69.4837 -19.1308 41.2312 -16.7815 -22.259 TIMING: 2394000 CPU: 7478.78, 0.00314445/step Wall: 7478.78, 0.00314444/step, 2.27623 hours remaining, 235.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2394000 4051.7282 20508.7820 14417.3973 260.9089 -203454.6450 2740.6279 0.0000 0.0000 52360.9175 -109114.2832 300.9189 -161475.2007 -108748.0844 299.2432 -188.4036 -164.7837 763191.6382 -3.1609 -3.0898 PRESSURE: 2394200 -136.402 -253.286 326.974 -253.286 -7.22374 -40.3258 326.974 -40.3244 -71.5814 GPRESSURE: 2394200 -130.534 -168.794 222.034 -193.886 22.809 37.6509 196.367 -53.4887 -21.3986 PRESSAVG: 2394200 30.8742 -21.5724 28.4322 -21.5724 -38.1445 -12.4087 28.4321 -12.4087 7.35224 GPRESSAVG: 2394200 29.9961 -20.9239 27.4234 -20.201 -39.7769 -13.6872 27.5182 -11.5113 10.6794 TIMING: 2394200 CPU: 7479.41, 0.00312754/step Wall: 7479.41, 0.00312754/step, 2.26382 hours remaining, 235.714844 MB of memory in use. ENERGY: 2394200 3997.0404 20530.8023 14404.6128 242.9889 -203214.8549 2701.3594 0.0000 0.0000 52093.3773 -109244.6737 299.3814 -161338.0510 -108884.8610 299.5204 -71.7357 -43.0412 762244.5701 0.0273 0.2995 PRESSURE: 2394400 31.2106 94.1858 -243.885 94.1863 -53.0712 -73.4886 -243.885 -73.4881 95.5988 GPRESSURE: 2394400 103.142 -20.2064 -230.491 58.557 14.6384 -129.78 -150.208 19.4488 5.327 PRESSAVG: 2394400 -3.98633 -23.5022 2.80487 -23.5022 3.99604 36.5543 2.80489 36.5544 14.7467 GPRESSAVG: 2394400 -4.91386 -26.5865 4.67859 -24.1302 5.50191 39.3741 2.58423 35.0147 13.5317 TIMING: 2394400 CPU: 7480.03, 0.00312007/step Wall: 7480.03, 0.00312007/step, 2.25824 hours remaining, 235.714844 MB of memory in use. ENERGY: 2394400 3998.6955 20552.1015 14425.6236 255.2249 -203110.9885 2730.8641 0.0000 0.0000 51880.0745 -109268.4043 298.1555 -161148.4789 -108919.8787 299.2491 24.5794 41.0359 762156.0928 4.9188 4.7066 PRESSURE: 2394600 -418.395 -112.246 24.2434 -112.246 -44.8892 -49.323 24.2428 -49.3222 -344.281 GPRESSURE: 2394600 -429.232 -158.081 7.50834 -95.7671 11.5301 -19.2409 15.1311 -67.4053 -288.052 PRESSAVG: 2394600 -47.7141 -20.9364 -21.778 -20.9363 3.44113 12.6474 -21.778 12.6474 -2.49902 GPRESSAVG: 2394600 -47.8537 -20.0542 -22.78 -20.4386 4.32351 11.9785 -21.8836 14.263 -3.20306 TIMING: 2394600 CPU: 7480.66, 0.00312969/step Wall: 7480.66, 0.00312969/step, 2.26503 hours remaining, 235.714844 MB of memory in use. ENERGY: 2394600 3999.7200 20440.0149 14288.1259 239.6322 -202546.5813 2328.6912 0.0000 0.0000 51960.6181 -109289.7789 298.6184 -161250.3970 -108924.1130 298.5939 -269.1882 -235.2512 763077.4629 -15.5907 -15.5778 PRESSURE: 2394800 -49.8166 -222.314 21.5854 -222.314 -201.711 147.398 21.5846 147.398 -232.122 GPRESSURE: 2394800 39.5748 -231.014 -24.245 -67.7913 -165.76 174.268 136.764 255.574 -263.525 PRESSAVG: 2394800 -41.2385 -31.961 65.1673 -31.9609 38.0269 -27.723 65.1673 -27.7229 -7.59855 GPRESSAVG: 2394800 -39.5971 -30.6861 65.1876 -33.5675 36.6306 -26.9606 65.6116 -27.3536 -7.91883 TIMING: 2394800 CPU: 7481.29, 0.00314488/step Wall: 7481.29, 0.00314488/step, 2.27585 hours remaining, 235.714844 MB of memory in use. ENERGY: 2394800 4032.0776 20562.9269 14364.5272 238.2211 -202965.9835 2463.5468 0.0000 0.0000 51987.4346 -109317.2493 298.7725 -161304.6840 -108963.7251 298.8015 -161.2166 -129.9032 762331.9068 -3.6034 -3.6284 PRESSURE: 2395000 -299.207 222.929 -25.9663 222.929 176.765 -220.669 -25.9667 -220.667 -256.66 GPRESSURE: 2395000 -315.815 225.4 -71.775 211.815 225.875 -175.164 19.6497 -201.785 -218.73 PRESSAVG: 2395000 11.6254 15.24 25.4234 15.24 -18.0808 -3.28177 25.4234 -3.28173 8.9603 GPRESSAVG: 2395000 9.90824 15.088 24.7622 15.1504 -16.1913 -4.02968 25.1387 -3.87685 9.0531 TIMING: 2395000 CPU: 7481.91, 0.00313234/step Wall: 7481.91, 0.00313234/step, 2.2666 hours remaining, 235.714844 MB of memory in use. ENERGY: 2395000 3969.8442 20472.0588 14416.0219 250.2109 -203065.8504 2661.6041 0.0000 0.0000 51958.6049 -109337.5056 298.6068 -161296.1105 -108973.3519 299.1126 -126.3674 -102.8901 762612.7708 0.8350 0.9234 PRESSURE: 2395200 197.962 107.979 -35.7102 107.979 -134.717 36.3885 -35.7106 36.3895 171.97 GPRESSURE: 2395200 300.413 173.835 -82.7796 190.726 -118.68 56.2739 -47.4369 -76.3784 137.971 PRESSAVG: 2395200 30.0581 38.3219 39.4485 38.3219 -19.6265 -29.7218 39.4485 -29.7218 -12.0153 GPRESSAVG: 2395200 31.9552 36.8648 39.7509 39.9746 -20.7989 -28.7887 38.2348 -30.7219 -11.7848 TIMING: 2395200 CPU: 7482.54, 0.00313019/step Wall: 7482.54, 0.00313019/step, 2.26487 hours remaining, 235.972656 MB of memory in use. ENERGY: 2395200 3954.8613 20497.9457 14377.1138 252.4297 -203176.0200 2651.0651 0.0000 0.0000 52167.7007 -109274.9037 299.8085 -161442.6045 -108912.9475 299.4153 78.4048 106.5679 763740.5188 -0.5279 -0.2095 PRESSURE: 2395400 -122.051 54.7275 -46.1256 54.7275 204.662 -134.743 -46.1261 -134.743 -11.2663 GPRESSURE: 2395400 -102.969 33.7834 8.53008 -20.6644 177.954 -153.643 105.229 87.6998 62.63 PRESSAVG: 2395400 13.9391 36.0082 -14.6824 36.0081 -41.332 20.5633 -14.6824 20.5633 19.3769 GPRESSAVG: 2395400 14.3003 37.9891 -13.7759 34.8854 -41.9432 16.9056 -11.766 21.8756 19.5801 TIMING: 2395400 CPU: 7483.17, 0.00313241/step Wall: 7483.17, 0.00313241/step, 2.2663 hours remaining, 235.972656 MB of memory in use. ENERGY: 2395400 4051.5529 20577.9083 14381.3557 233.7264 -203353.7326 2662.7832 0.0000 0.0000 52373.4884 -109072.9177 300.9912 -161446.4062 -108703.1359 299.5227 23.7817 45.8714 762025.7616 -2.6720 -2.6876 PRESSURE: 2395600 -177.488 -10.1437 98.7563 -10.1429 -71.3885 -37.7208 98.757 -37.7199 -207.083 GPRESSURE: 2395600 -81.2506 67.2091 35.4266 -26.8564 -25.1135 14.4062 2.14081 -4.37794 -263.682 PRESSAVG: 2395600 28.3614 -16.1275 3.84208 -16.1275 43.2764 -0.813186 3.8421 -0.813287 -7.89823 GPRESSAVG: 2395600 26.9906 -17.6125 2.7502 -15.9695 45.7541 1.75881 3.17441 0.130252 -9.16676 TIMING: 2395600 CPU: 7483.8, 0.00316707/step Wall: 7483.8, 0.00316707/step, 2.2912 hours remaining, 235.972656 MB of memory in use. ENERGY: 2395600 3975.1055 20432.1525 14317.3016 263.5106 -202957.2308 2470.2588 0.0000 0.0000 52136.8595 -109362.0422 299.6312 -161498.9018 -108997.5890 300.0854 -151.9864 -123.3487 761459.9153 21.2465 21.1926 PRESSURE: 2395800 -309.662 11.8331 10.5502 11.8332 -299.35 -182.954 10.55 -182.953 -76.7657 GPRESSURE: 2395800 -232.771 56.9943 -23.0704 -35.6685 -240.677 -165.256 -128.041 -148.46 -135.432 PRESSAVG: 2395800 -74.9025 -39.7134 -26.9121 -39.7135 43.0549 22.1408 -26.9121 22.1407 12.2157 GPRESSAVG: 2395800 -74.4508 -39.034 -25.4154 -39.0555 42.8339 22.4044 -25.5559 20.3977 11.815 TIMING: 2395800 CPU: 7484.43, 0.0031487/step Wall: 7484.43, 0.0031487/step, 2.27774 hours remaining, 235.972656 MB of memory in use. ENERGY: 2395800 4021.3917 20464.3145 14352.0164 227.3897 -202697.1864 2435.3829 0.0000 0.0000 52135.5632 -109061.1280 299.6238 -161196.6911 -108700.2992 299.5760 -228.5925 -202.9601 765585.9598 -6.5440 -6.6006 PRESSURE: 2396000 2.60054 6.68178 -89.975 6.68155 229.655 -117.352 -89.9745 -117.351 -27.9721 GPRESSURE: 2396000 -34.8948 27.7115 -54.8405 86.0633 306.153 -87.3484 -126.27 38.2925 35.5302 PRESSAVG: 2396000 -37.0836 -25.6395 23.0794 -25.6395 6.79371 21.0655 23.0794 21.0655 4.95183 GPRESSAVG: 2396000 -37.2641 -25.2996 22.0864 -26.3507 6.12934 20.9711 23.5416 22.4028 6.10969 TIMING: 2396000 CPU: 7485.05, 0.00313143/step Wall: 7485.05, 0.00313143/step, 2.26507 hours remaining, 235.972656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2396000 3954.8578 20576.1205 14376.9042 236.5307 -203438.9126 2767.7848 0.0000 0.0000 52398.2022 -109128.5123 301.1332 -161526.7145 -108762.4102 299.6211 68.0944 102.2629 763385.8009 -8.4460 -8.3417 PRESSURE: 2396200 65.9804 -68.5994 78.2044 -68.599 44.5357 2.91991 78.2038 2.91986 362.727 GPRESSURE: 2396200 15.3073 -31.3206 74.3511 -34.5665 103.393 24.8433 81.5418 82.5047 454.573 PRESSAVG: 2396200 -10.5036 -11.7593 -19.9097 -11.7593 12.809 17.4453 -19.9097 17.4454 -4.5155 GPRESSAVG: 2396200 -10.0079 -13.0165 -18.3891 -12.7338 11.5713 16.6492 -20.5543 17.7661 -4.13732 TIMING: 2396200 CPU: 7485.68, 0.00312545/step Wall: 7485.68, 0.00312545/step, 2.26057 hours remaining, 235.972656 MB of memory in use. ENERGY: 2396200 3967.0920 20533.9648 14439.1803 235.5730 -203590.2797 2849.3419 0.0000 0.0000 52321.4952 -109243.6324 300.6924 -161565.1277 -108871.6766 299.7559 157.7478 191.0912 761989.3256 -0.7367 -0.8580 LDB: ============= START OF LOAD BALANCING ============== 7498.16 LDB: ============== END OF LOAD BALANCING =============== 7498.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7498.16 LDB: ============= START OF LOAD BALANCING ============== 7498.47 LDB: Largest compute 7036 load 0.030830 is 15.8% of average load 0.195069 LDB: Average compute 0.004428 is 2.3% of average load 0.195069 LDB: TIME 7498.48 LOAD: AVG 0.195069 MAX 0.219939 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.434 MB LDB: TIME 7498.48 LOAD: AVG 0.195069 MAX 0.219939 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.633 MB LDB: TIME 7498.48 LOAD: AVG 0.195069 MAX 0.217552 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.633 MB LDB: ============== END OF LOAD BALANCING =============== 7498.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7498.48 PRESSURE: 2396400 -85.4946 202.827 186.534 202.827 387.474 0.263007 186.533 0.262537 -80.8491 GPRESSURE: 2396400 32.4994 207.074 158.027 231.937 290.948 21.3815 92.635 48.0413 -17.408 PRESSAVG: 2396400 46.3892 -9.73229 23.9499 -9.73223 -6.88416 -20.589 23.9499 -20.5889 4.9449 GPRESSAVG: 2396400 46.7025 -9.61941 22.8944 -7.84284 -7.14079 -20.2636 23.8722 -21.6549 5.10187 TIMING: 2396400 CPU: 7486.32, 0.00318786/step Wall: 7486.32, 0.00318786/step, 2.30553 hours remaining, 234.753906 MB of memory in use. ENERGY: 2396400 3985.6871 20628.6622 14461.3658 240.1278 -203566.1204 3011.6313 0.0000 0.0000 52175.2782 -109063.3680 299.8520 -161238.6462 -108704.4569 300.0103 73.7102 102.0131 761631.5417 14.8166 14.8879 PRESSURE: 2396600 -68.0577 -83.9451 47.0404 -83.9451 -183.428 4.02096 47.0402 4.02123 -193.526 GPRESSURE: 2396600 -1.87902 -120.317 5.50699 14.1083 -152.56 -28.2325 140.694 -105.425 -235.097 PRESSAVG: 2396600 -41.6807 -58.2474 60.6743 -58.2474 50.0692 -27.6743 60.6744 -27.6743 -10.2623 GPRESSAVG: 2396600 -41.809 -59.5999 59.7005 -58.9091 49.3017 -28.0614 60.8606 -29.1736 -9.7401 TIMING: 2396600 CPU: 7486.94, 0.00313209/step Wall: 7486.94, 0.00313209/step, 2.26502 hours remaining, 234.953125 MB of memory in use. ENERGY: 2396600 4086.2808 20760.3274 14453.2982 274.7542 -203373.5674 2702.8435 0.0000 0.0000 52215.6746 -108880.3888 300.0842 -161096.0634 -108524.0991 300.1773 -148.3371 -129.8453 763367.9537 -0.6246 -0.7491 PRESSURE: 2396800 -458.704 -202.188 -29.9151 -202.188 59.6366 -31.2071 -29.9145 -31.2078 -184.848 GPRESSURE: 2396800 -332.619 -253.439 -88.1942 -124.204 131.859 55.1333 -140.487 14.6561 -301.213 PRESSAVG: 2396800 -11.4018 -35.6341 18.651 -35.6342 6.79097 10.108 18.6511 10.1079 7.94311 GPRESSAVG: 2396800 -11.9685 -34.939 20.7762 -35.744 8.56685 9.96219 18.7442 10.1848 6.46952 TIMING: 2396800 CPU: 7487.57, 0.00312729/step Wall: 7487.57, 0.00312729/step, 2.26138 hours remaining, 234.953125 MB of memory in use. ENERGY: 2396800 4057.5626 20637.2578 14377.6138 249.2812 -203586.1899 3014.4027 0.0000 0.0000 52312.3471 -108937.7246 300.6398 -161250.0717 -108568.4858 299.9242 -194.6385 -167.3245 762692.7208 1.1108 1.0226 PRESSURE: 2397000 63.9474 80.6717 -76.7482 80.6713 16.1578 20.8306 -76.7478 20.8311 -130.503 GPRESSURE: 2397000 63.6237 66.7692 13.5828 121.027 81.9068 34.2942 -193.988 -51.6685 -116.027 PRESSAVG: 2397000 11.2085 7.46441 2.11303 7.4644 44.3365 12.3999 2.11304 12.3999 9.41674 GPRESSAVG: 2397000 12.3204 5.66154 0.204047 7.68784 43.061 13.6703 1.71599 13.6115 9.86035 TIMING: 2397000 CPU: 7488.19, 0.00312018/step Wall: 7488.19, 0.00312018/step, 2.25606 hours remaining, 234.953125 MB of memory in use. ENERGY: 2397000 4021.9178 20576.1502 14453.7915 217.6897 -202998.2035 2533.3327 0.0000 0.0000 52293.6989 -108901.6227 300.5326 -161195.3216 -108535.5758 300.1920 -16.7993 9.8346 762496.1745 21.6539 21.7472 PRESSURE: 2397200 -283.079 11.4049 13.0516 11.4042 25.4908 -167.256 13.0511 -167.254 -2.52331 GPRESSURE: 2397200 -289.219 25.6412 -42.4349 6.85185 -8.23457 -140.928 59.3593 -91.6494 114.888 PRESSAVG: 2397200 12.5986 -14.5866 -5.55168 -14.5866 -28.7866 -39.2756 -5.55175 -39.2756 1.03407 GPRESSAVG: 2397200 10.5721 -13.099 -4.52498 -15.2137 -26.7076 -39.7088 -6.39285 -40.6014 1.81498 TIMING: 2397200 CPU: 7488.82, 0.00311737/step Wall: 7488.82, 0.00311737/step, 2.25386 hours remaining, 234.953125 MB of memory in use. ENERGY: 2397200 4004.1892 20490.0009 14358.1242 239.5264 -202868.0553 2552.5072 0.0000 0.0000 52184.7820 -109038.9253 299.9067 -161223.7073 -108676.1450 299.9792 -86.7039 -60.8552 762093.9383 -5.0513 -4.7735 PRESSURE: 2397400 -493.491 161.88 -205.694 161.88 63.3827 172.718 -205.694 172.718 -0.331476 GPRESSURE: 2397400 -329.092 146.95 -212.656 185.145 -22.6473 247.328 -241.278 102.729 16.9963 PRESSAVG: 2397400 -50.3776 30.2362 -33.5239 30.2362 27.3229 33.7581 -33.5239 33.7582 -16.6309 GPRESSAVG: 2397400 -47.9225 30.9374 -33.0596 30.5342 26.9177 34.9369 -35.6921 34.9414 -17.9924 TIMING: 2397400 CPU: 7489.44, 0.00311967/step Wall: 7489.44, 0.00311967/step, 2.25535 hours remaining, 234.953125 MB of memory in use. ENERGY: 2397400 4002.5083 20550.8563 14377.7445 252.8910 -202618.8489 2274.5909 0.0000 0.0000 52222.4765 -108937.7814 300.1233 -161160.2580 -108572.6412 300.5144 -143.4798 -111.5810 761880.8760 -13.2285 -12.9991 PRESSURE: 2397600 279.721 135.818 75.995 135.818 -160.257 -55.6614 75.9946 -55.6621 -27.8536 GPRESSURE: 2397600 272.921 128.563 58.7797 136.395 -92.1753 -67.4724 135.943 -49.2243 5.93849 PRESSAVG: 2397600 49.0451 2.32585 9.83894 2.32585 -36.0513 -1.85613 9.83894 -1.85609 -16.0427 GPRESSAVG: 2397600 48.6313 1.30349 8.21578 2.22684 -36.1054 -2.53205 10.3041 -1.57445 -15.5825 TIMING: 2397600 CPU: 7490.07, 0.00312614/step Wall: 7490.07, 0.00312614/step, 2.25985 hours remaining, 234.953125 MB of memory in use. ENERGY: 2397600 3995.0507 20760.3209 14371.8825 265.6025 -202984.2123 2629.4344 0.0000 0.0000 52164.7792 -108797.1421 299.7917 -160961.9213 -108436.6828 300.3859 30.5367 62.2282 763038.3944 -1.0163 -1.0189 PRESSURE: 2397800 281.766 280.479 -90.3379 280.479 -117.467 -135.98 -90.3379 -135.98 -75.0744 GPRESSURE: 2397800 254.897 230.817 -128.583 232.215 -61.389 -35.7592 -200.831 -299.737 -36.8282 PRESSAVG: 2397800 20.2171 65.4432 8.28702 65.4432 -24.6617 -11.1633 8.28706 -11.1634 -6.44311 GPRESSAVG: 2397800 18.8462 64.9028 7.34815 65.3675 -24.6243 -9.69158 11.7732 -11.5971 -5.1218 TIMING: 2397800 CPU: 7490.69, 0.00312431/step Wall: 7490.69, 0.00312431/step, 2.25836 hours remaining, 234.953125 MB of memory in use. ENERGY: 2397800 4049.2397 20616.0620 14482.8463 260.2260 -203177.0164 3023.2485 0.0000 0.0000 52084.3333 -108661.0606 299.3294 -160745.3938 -108302.2124 300.5808 29.7415 52.2266 762711.1209 -3.6292 -3.6333 PRESSURE: 2398000 -106.456 339.147 -176.276 339.147 -231.938 70.3397 -176.275 70.3398 -118.303 GPRESSURE: 2398000 22.2396 269.009 -183.557 360.966 -255.881 96.3469 -118.728 17.285 -142.185 PRESSAVG: 2398000 66.6729 38.4344 -33.5637 38.4343 -27.6929 -24.5116 -33.5637 -24.5115 37.7242 GPRESSAVG: 2398000 68.9317 40.8833 -32.249 36.8543 -27.8996 -26.0662 -34.0814 -23.1902 36.2439 TIMING: 2398000 CPU: 7491.32, 0.0031249/step Wall: 7491.32, 0.0031249/step, 2.25861 hours remaining, 234.953125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2398000 3971.2029 20716.4178 14355.8328 259.4375 -202882.0162 2609.4978 0.0000 0.0000 52076.5610 -108893.0665 299.2847 -160969.6274 -108535.7988 300.4447 -152.2322 -125.2755 764014.4105 25.5680 25.7587 PRESSURE: 2398200 131.559 -295.761 -261.368 -295.762 321.672 88.5733 -261.368 88.5743 602.452 GPRESSURE: 2398200 202.599 -232.801 -232.345 -334.982 377.993 166.387 -182.362 135.675 555.172 PRESSAVG: 2398200 5.62139 68.7616 -28.6194 68.7617 -51.3384 8.06663 -28.6194 8.06663 17.0639 GPRESSAVG: 2398200 6.15088 68.9758 -29.5085 70.3821 -52.5665 7.84082 -28.0816 6.72198 17.0089 TIMING: 2398200 CPU: 7491.94, 0.00311489/step Wall: 7491.94, 0.00311489/step, 2.2512 hours remaining, 234.953125 MB of memory in use. ENERGY: 2398200 3951.1775 20567.6415 14401.7412 232.8024 -202983.4809 2724.4558 0.0000 0.0000 52177.2198 -108928.4428 299.8632 -161105.6626 -108568.3580 299.7856 351.8942 378.5882 764572.2172 -9.5510 -9.8022 PRESSURE: 2398400 35.2371 149.714 109.893 149.713 -87.1259 -6.85014 109.893 -6.85037 291.444 GPRESSURE: 2398400 117.586 215.934 -32.7439 120.628 -54.3327 -13.05 98.618 -31.419 241.955 PRESSAVG: 2398400 14.9978 29.4076 -1.70654 29.4076 -19.6359 9.63421 -1.7065 9.63416 -1.05328 GPRESSAVG: 2398400 13.4492 28.4494 -1.71261 29.778 -19.2021 10.9662 -1.4692 10.7976 -0.269207 TIMING: 2398400 CPU: 7492.56, 0.00311711/step Wall: 7492.56, 0.00311711/step, 2.25263 hours remaining, 234.953125 MB of memory in use. ENERGY: 2398400 4020.2475 20522.0573 14463.5468 255.6954 -203059.8386 2886.9458 0.0000 0.0000 52036.4552 -108874.8905 299.0542 -160911.3457 -108509.9187 299.7418 79.8516 101.7361 762912.9943 -1.8971 -2.0074 PRESSURE: 2398600 28.9583 143.051 -15.0114 143.052 421.266 -42.2378 -15.0108 -42.2375 80.4103 GPRESSURE: 2398600 67.7759 114.974 -132.532 119.011 322.768 -130.768 -71.3841 54.883 207.331 PRESSAVG: 2398600 66.7492 5.78008 -40.2907 5.78 -60.6823 -6.66867 -40.2908 -6.66866 -0.623058 GPRESSAVG: 2398600 65.9428 7.80115 -41.7076 5.09153 -59.9935 -6.90216 -39.723 -8.21998 -0.529788 TIMING: 2398600 CPU: 7493.18, 0.00310616/step Wall: 7493.18, 0.00310616/step, 2.24455 hours remaining, 234.953125 MB of memory in use. ENERGY: 2398600 3954.6815 20715.2748 14344.2401 254.5664 -203117.1759 2887.9674 0.0000 0.0000 52340.2693 -108620.1764 300.8002 -160960.4457 -108250.4472 299.8948 176.8781 199.2916 762983.6332 1.8146 1.8065 PRESSURE: 2398800 578.401 -132.34 -105.643 -132.341 275.044 1.10426 -105.643 1.10386 126.261 GPRESSURE: 2398800 541.698 31.0571 -72.7176 -135.763 342.918 56.6623 35.515 -123.947 184.339 PRESSAVG: 2398800 -32.3781 3.12172 31.0201 3.12169 23.2985 2.53045 31.02 2.53043 -5.15037 GPRESSAVG: 2398800 -32.0347 2.89978 31.928 3.01254 23.7687 3.54307 31.7721 2.28186 -5.38975 TIMING: 2398800 CPU: 7493.81, 0.00313082/step Wall: 7493.81, 0.00313082/step, 2.26219 hours remaining, 234.953125 MB of memory in use. ENERGY: 2398800 3932.3148 20551.0573 14370.4246 258.4387 -203204.4556 2976.3532 0.0000 0.0000 52374.4000 -108741.4669 300.9964 -161115.8669 -108377.3187 299.9671 326.5685 356.3183 762441.8383 -4.7433 -4.5519 PRESSURE: 2399000 -201.27 -85.4958 -136.023 -85.4956 381.149 -12.4168 -136.023 -12.4167 -119.87 GPRESSURE: 2399000 -126.709 -11.9778 -103.985 -147.539 361.453 -95.5022 8.62693 -57.8149 -74.3156 PRESSAVG: 2399000 50.5549 -9.85103 45.6527 -9.85106 -59.0423 15.7839 45.6528 15.7838 9.81231 GPRESSAVG: 2399000 50.5523 -11.648 47.4072 -7.76806 -59.7804 13.3599 43.8585 15.3353 10.5152 TIMING: 2399000 CPU: 7494.43, 0.00310406/step Wall: 7494.43, 0.00310406/step, 2.24268 hours remaining, 234.953125 MB of memory in use. ENERGY: 2399000 3978.6716 20623.2843 14433.5915 248.3545 -202901.3673 2589.8966 0.0000 0.0000 52227.6692 -108799.8995 300.1531 -161027.5687 -108427.3287 300.1911 20.0033 53.4764 763642.6677 0.4416 0.4290 PRESSURE: 2399200 485.031 85.3147 96.9929 85.315 382.039 100.424 96.9927 100.424 -40.6736 GPRESSURE: 2399200 522.49 205.694 -0.936839 -34.0684 377.826 16.4193 -17.3909 70.9477 -12.8198 PRESSAVG: 2399200 73.1701 -9.81586 43.6805 -9.81584 -27.0934 -9.61883 43.6806 -9.61889 12.663 GPRESSAVG: 2399200 74.54 -9.09042 43.5438 -12.4811 -27.1089 -7.63036 42.5205 -10.4826 11.2442 TIMING: 2399200 CPU: 7495.05, 0.00311975/step Wall: 7495.05, 0.00311975/step, 2.25384 hours remaining, 234.953125 MB of memory in use. ENERGY: 2399200 4007.4459 20764.1216 14432.9019 254.3987 -203113.0548 2840.8222 0.0000 0.0000 52040.9894 -108772.3752 299.0803 -160813.3646 -108416.2555 300.4803 275.4654 295.8321 763234.9306 19.5799 19.5584 PRESSURE: 2399400 -229.564 -188.899 -120.586 -188.898 100.872 81.8803 -120.586 81.8802 -239.229 GPRESSURE: 2399400 -298.94 -173.487 -123.954 -119.063 177.577 102.343 26.32 107.184 -175.479 PRESSAVG: 2399400 45.4201 -56.6814 -7.24558 -56.6813 -23.4779 -15.3451 -7.24557 -15.3451 -9.33873 GPRESSAVG: 2399400 43.1555 -56.8744 -9.10556 -55.7828 -22.9658 -15.7742 -4.97823 -12.0868 -7.77924 TIMING: 2399400 CPU: 7495.68, 0.00311184/step Wall: 7495.68, 0.00311184/step, 2.24796 hours remaining, 234.953125 MB of memory in use. ENERGY: 2399400 4036.7596 20489.1540 14315.1450 245.3708 -203118.4055 2683.3971 0.0000 0.0000 52424.0367 -108924.5422 301.2817 -161348.5789 -108558.2402 300.5341 -122.6402 -98.9473 763086.8055 4.2011 4.1368 PRESSURE: 2399600 -324.429 -16.4073 -114.28 -16.4066 -364.09 -220.894 -114.281 -220.893 -193.624 GPRESSURE: 2399600 -380.697 -80.4697 -112.08 32.2576 -289.821 -118.966 -148.029 -216.533 -112.046 PRESSAVG: 2399600 12.1933 0.968377 -3.13235 0.968404 4.7661 -48.9195 -3.13237 -48.9195 3.34411 GPRESSAVG: 2399600 12.6427 1.87598 -0.580918 0.442057 4.76751 -50.2918 -3.27902 -49.4114 2.80518 TIMING: 2399600 CPU: 7496.3, 0.00310884/step Wall: 7496.3, 0.00310884/step, 2.24562 hours remaining, 234.953125 MB of memory in use. ENERGY: 2399600 3958.2782 20649.9638 14380.2463 253.8153 -202748.1405 2577.9101 0.0000 0.0000 52006.1638 -108921.7630 298.8801 -160927.9268 -108559.1245 300.2053 -294.0477 -260.8549 766059.0287 6.7678 6.7385 PRESSURE: 2399800 -121.924 12.8406 49.5689 12.8405 239.176 184.607 49.5695 184.607 -188.696 GPRESSURE: 2399800 -30.5203 -43.8724 23.8858 -18.0956 210.105 207.72 188.627 101.217 -154.664 PRESSAVG: 2399800 20.5421 6.84666 -36.5994 6.84669 -41.371 36.5635 -36.5994 36.5636 -0.826307 GPRESSAVG: 2399800 19.6321 4.86891 -37.6566 7.22761 -40.6481 38.8473 -38.4686 34.5745 -0.961075 TIMING: 2399800 CPU: 7496.92, 0.00310921/step Wall: 7496.92, 0.00310921/step, 2.24571 hours remaining, 234.953125 MB of memory in use. ENERGY: 2399800 3969.7724 20428.9971 14357.4744 251.2629 -202670.2466 2535.0903 0.0000 0.0000 52075.9132 -109051.7363 299.2810 -161127.6495 -108683.6629 299.3128 -23.8149 8.3069 766014.0317 -7.2184 -7.3257 PRESSURE: 2400000 106.623 -168.849 41.5729 -168.85 -132.94 -14.2919 41.5725 -14.293 -52.9532 GPRESSURE: 2400000 114.139 -156.78 -38.133 -130.621 -116.463 -7.90352 117.454 -114.678 -5.24202 PRESSAVG: 2400000 13.4911 46.0712 50.8148 46.0712 64.7834 7.54967 50.8147 7.54968 0.305529 GPRESSAVG: 2400000 14.6554 44.2798 51.8306 45.8875 63.1691 5.47327 52.9714 8.60309 0.577693 TIMING: 2400000 CPU: 7497.54, 0.00311452/step Wall: 7497.54, 0.00311452/step, 2.24938 hours remaining, 234.953125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2400000 3964.8775 20683.9550 14397.7248 247.0523 -203319.8582 2844.6792 0.0000 0.0000 52349.1072 -108832.4622 300.8510 -161181.5694 -108465.7908 300.5831 -26.4235 -2.5220 763898.2839 26.1934 26.1341 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2400000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2400000 WRITING COORDINATES TO RESTART FILE AT STEP 2400000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2400000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2400200 171.638 61.9374 -9.94846 61.9371 -239.887 21.0466 -9.94909 21.048 -337.131 GPRESSURE: 2400200 174.217 138.553 103.427 124.55 -168.551 46.0056 -48.4027 -95.4565 -350.263 PRESSAVG: 2400200 -64.7786 39.2118 37.2552 39.2118 78.1706 2.84929 37.2551 2.84932 9.70456 GPRESSAVG: 2400200 -65.3051 41.3495 36.0408 39.9003 79.1652 3.48653 37.8206 3.04622 8.94487 TIMING: 2400200 CPU: 7498.18, 0.00319555/step Wall: 7498.18, 0.00319555/step, 2.30772 hours remaining, 234.953125 MB of memory in use. ENERGY: 2400200 3955.6128 20554.1910 14523.6083 254.7615 -203016.5120 2582.2082 0.0000 0.0000 52495.4264 -108650.7039 301.6919 -161146.1304 -108270.2558 300.8733 -135.1268 -114.8657 763960.4928 7.6988 7.6017 LDB: ============= START OF LOAD BALANCING ============== 7510.66 LDB: ============== END OF LOAD BALANCING =============== 7510.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7510.66 LDB: ============= START OF LOAD BALANCING ============== 7510.97 LDB: Largest compute 7078 load 0.031822 is 16.3% of average load 0.195046 LDB: Average compute 0.004409 is 2.3% of average load 0.195046 LDB: TIME 7510.97 LOAD: AVG 0.195046 MAX 0.214805 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.672 MB LDB: TIME 7510.98 LOAD: AVG 0.195046 MAX 0.214805 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.672 MB LDB: TIME 7510.98 LOAD: AVG 0.195046 MAX 0.214805 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.672 MB LDB: ============== END OF LOAD BALANCING =============== 7510.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7510.98 PRESSURE: 2400400 157.179 37.8829 -134.253 37.8831 102.438 15.5537 -134.253 15.5538 -27.2265 GPRESSURE: 2400400 236.948 86.1677 -124.19 -40.5157 82.9517 76.7449 -130.482 25.1661 -13.3222 PRESSAVG: 2400400 -17.913 60.646 49.8993 60.6459 30.016 -15.2705 49.8993 -15.2704 -28.0896 GPRESSAVG: 2400400 -17.2412 59.5233 51.7406 61.1132 29.7386 -15.09 48.261 -15.0342 -27.8742 TIMING: 2400400 CPU: 7498.82, 0.00317137/step Wall: 7498.82, 0.00317137/step, 2.29008 hours remaining, 235.796875 MB of memory in use. ENERGY: 2400400 4044.7579 20613.9394 14389.7858 237.3991 -202818.6674 2645.3692 0.0000 0.0000 52305.2129 -108582.2031 300.5988 -160887.4160 -108222.6003 300.7311 77.4634 102.1925 763749.3043 -5.3289 -5.1256 PRESSURE: 2400600 -100.483 236.446 -109.617 236.446 -243.551 128.41 -109.617 128.41 -240.867 GPRESSURE: 2400600 -137.938 163.474 -21.4244 109.78 -227.056 120.937 -54.9244 59.7654 -139.744 PRESSAVG: 2400600 -38.0386 13.3564 42.328 13.3564 34.3226 -11.1571 42.328 -11.1571 12.8734 GPRESSAVG: 2400600 -37.9553 13.6915 41.7345 12.9032 34.9651 -10.3328 42.4954 -10.8084 11.5717 TIMING: 2400600 CPU: 7499.43, 0.00308945/step Wall: 7499.43, 0.00308945/step, 2.23076 hours remaining, 235.796875 MB of memory in use. ENERGY: 2400600 3990.7737 20585.4418 14442.7503 260.2053 -202984.9128 2782.5767 0.0000 0.0000 52266.7259 -108656.4391 300.3776 -160923.1650 -108281.9297 300.3932 -194.9671 -168.2463 763889.2886 3.0525 2.8605 PRESSURE: 2400800 -422.676 29.8254 -15.1391 29.8263 -76.9366 37.9217 -15.1389 37.9211 -522.346 GPRESSURE: 2400800 -329.293 -69.0788 -49.138 -11.7982 -112.351 -10.4114 49.7699 94.0203 -508.96 PRESSAVG: 2400800 -4.54984 28.4746 17.0958 28.4746 32.5964 72.9764 17.0958 72.9764 18.5451 GPRESSAVG: 2400800 -5.20405 28.0229 16.1472 28.2456 32.1865 73.1166 19.3813 73.9777 19.1221 TIMING: 2400800 CPU: 7500.06, 0.00311179/step Wall: 7500.06, 0.00311179/step, 2.24671 hours remaining, 235.796875 MB of memory in use. ENERGY: 2400800 4031.6997 20632.9760 14410.5253 255.6993 -202319.7366 2195.9510 0.0000 0.0000 52204.1954 -108588.6898 300.0182 -160792.8852 -108226.2918 300.5563 -340.6530 -316.8680 763342.1974 15.5306 15.3682 PRESSURE: 2401000 -161.821 76.5907 -81.4818 76.5911 -309.861 37.113 -81.4815 37.1128 -366.421 GPRESSURE: 2401000 -234.837 55.3094 -88.3042 33.2643 -216.083 47.5513 -109.625 -97.2858 -311.383 PRESSAVG: 2401000 -13.2544 19.15 43.5247 19.1501 31.0815 90.5429 43.5248 90.5429 -1.77089 GPRESSAVG: 2401000 -11.7629 20.2997 45.0719 18.9742 30.3796 89.6662 39.8333 90.239 -2.1717 TIMING: 2401000 CPU: 7500.68, 0.00309359/step Wall: 7500.68, 0.00309359/step, 2.2334 hours remaining, 235.796875 MB of memory in use. ENERGY: 2401000 4002.4288 20760.7121 14472.6373 254.1962 -202957.7205 2692.5151 0.0000 0.0000 52211.8775 -108563.3536 300.0624 -160775.2311 -108200.8869 300.2604 -279.3677 -254.1010 763228.9716 5.3521 5.4817 PRESSURE: 2401200 -303.958 324.055 160.904 324.055 -43.0017 -70.5906 160.904 -70.5897 -76.7372 GPRESSURE: 2401200 -176.437 330.8 135.044 255.079 -37.3863 -85.51 191.341 -46.2173 -146.015 PRESSAVG: 2401200 25.854 30.4625 34.6776 30.4626 -48.6617 68.4349 34.6776 68.4349 -1.13692 GPRESSAVG: 2401200 24.6884 30.6448 33.29 29.8735 -47.8472 67.8457 36.4397 66.4559 -0.930225 TIMING: 2401200 CPU: 7501.3, 0.00310359/step Wall: 7501.3, 0.00310359/step, 2.24044 hours remaining, 235.796875 MB of memory in use. ENERGY: 2401200 3984.0840 20464.2394 14408.1194 247.5569 -203150.3165 2741.9173 0.0000 0.0000 52677.2329 -108627.1665 302.7368 -161304.3994 -108245.3157 300.7923 -141.2324 -119.9463 763542.3301 -7.9815 -8.0297 PRESSURE: 2401400 40.098 152.02 -0.39031 152.02 -362.69 -81.5094 -0.390083 -81.5091 109.295 GPRESSURE: 2401400 105.821 205.405 -11.8219 185.593 -333.695 -127.374 -34.1508 -129.298 123.043 PRESSAVG: 2401400 -20.0423 52.3568 66.008 52.3568 45.6772 29.0924 66.008 29.0924 12.7531 GPRESSAVG: 2401400 -19.4223 51.0671 64.8886 52.0985 45.2793 30.5129 67.4442 30.5099 12.5244 TIMING: 2401400 CPU: 7501.92, 0.0031057/step Wall: 7501.92, 0.0031057/step, 2.2418 hours remaining, 235.796875 MB of memory in use. ENERGY: 2401400 4007.8651 20643.4537 14335.3909 234.3366 -203102.1656 2731.2965 0.0000 0.0000 52559.1272 -108590.6956 302.0580 -161149.8228 -108224.7660 300.3629 -71.0991 -34.9438 763394.4535 12.7960 12.7938 PRESSURE: 2401600 -30.3392 -72.0555 99.8162 -72.0559 0.37591 -116.516 99.8178 -116.515 1.91594 GPRESSURE: 2401600 -96.4644 -100.974 89.158 -55.7483 87.0413 -120.771 97.5209 -131.671 74.2921 PRESSAVG: 2401600 -42.7327 -0.223856 41.1283 -0.223877 22.4293 8.79554 41.1283 8.79558 16.2931 GPRESSAVG: 2401600 -42.6898 -0.86553 41.634 1.7621 22.9612 8.36139 40.416 7.09459 16.734 TIMING: 2401600 CPU: 7502.54, 0.00310549/step Wall: 7502.54, 0.00310549/step, 2.24147 hours remaining, 235.796875 MB of memory in use. ENERGY: 2401600 4049.9232 20483.1558 14396.4694 255.2793 -202679.9417 2745.5628 0.0000 0.0000 51972.6155 -108776.9357 298.6873 -160749.5512 -108423.0886 300.4922 -9.3491 21.6230 764672.9298 -1.3368 -0.9982 PRESSURE: 2401800 113.576 -94.2524 119.19 -94.252 -340.584 -232.067 119.19 -232.066 261.946 GPRESSURE: 2401800 68.5919 -72.4132 166.692 -8.26622 -240.658 -118.442 120.175 -204.943 279.45 PRESSAVG: 2401800 12.5132 31.8049 6.11311 31.8049 -2.19435 1.90842 6.11309 1.9084 -10.7556 GPRESSAVG: 2401800 13.0058 31.7106 6.74354 32.6404 -3.01385 2.41225 7.81895 3.83005 -10.6206 TIMING: 2401800 CPU: 7503.16, 0.00310685/step Wall: 7503.16, 0.00310685/step, 2.24229 hours remaining, 235.796875 MB of memory in use. ENERGY: 2401800 4012.3777 20700.9505 14423.5627 241.7361 -203270.7952 2829.5144 0.0000 0.0000 52264.7616 -108797.8923 300.3663 -161062.6539 -108431.6542 300.1037 11.6458 35.7945 764214.5851 -0.1456 -0.2095 PRESSURE: 2402000 -185.321 190.12 4.15247 190.12 22.375 -51.3391 4.15302 -51.3392 -50.0876 GPRESSURE: 2402000 -111.492 129.294 -39.5752 186.506 80.2895 -100.441 49.0956 -56.3598 -102.63 PRESSAVG: 2402000 -12.2828 -9.00589 32.4844 -9.00585 18.4416 18.5344 32.4844 18.5344 -12.6693 GPRESSAVG: 2402000 -13.6856 -11.1404 32.2291 -8.2902 19.0357 17.7227 31.6606 16.3285 -12.0763 TIMING: 2402000 CPU: 7503.78, 0.00309614/step Wall: 7503.78, 0.00309614/step, 2.23438 hours remaining, 235.796875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2402000 3957.2991 20606.4473 14418.0341 244.0462 -202835.4131 2618.2544 0.0000 0.0000 52088.0872 -108903.2447 299.3510 -160991.3319 -108542.4521 300.2745 -71.0114 -44.6108 763996.1797 -2.1702 -2.2421 PRESSURE: 2402200 -212.409 7.32084 -77.3024 7.32063 157.393 124.281 -77.302 124.281 -103.843 GPRESSURE: 2402200 -121.073 101.773 -90.4965 124.961 85.272 77.8434 -28.3604 78.2745 -40.1114 PRESSAVG: 2402200 0.925295 12.9903 12.7489 12.9904 9.69889 36.4707 12.7489 36.4706 3.07612 GPRESSAVG: 2402200 2.09458 17.1975 12.6306 10.4934 9.55131 35.4403 11.4858 39.2306 1.65075 TIMING: 2402200 CPU: 7504.4, 0.00310866/step Wall: 7504.4, 0.00310866/step, 2.24324 hours remaining, 235.796875 MB of memory in use. ENERGY: 2402200 3989.5262 20447.2697 14451.3416 264.9816 -202656.3804 2377.0382 0.0000 0.0000 51930.5635 -109195.6596 298.4457 -161126.2232 -108837.0619 299.7231 -52.9531 -25.3040 762183.2867 4.5668 4.4322 PRESSURE: 2402400 -7.03772 -50.4876 -63.1703 -50.4887 318.421 -77.9868 -63.1703 -77.9879 256.576 GPRESSURE: 2402400 -11.2804 -47.1914 -4.28538 -93.7875 372.769 -81.4726 8.43113 -79.6539 296.438 PRESSAVG: 2402400 -35.4941 -10.5045 42.3964 -10.5045 52.1013 1.56862 42.3964 1.56864 -3.13833 GPRESSAVG: 2402400 -35.1602 -11.4095 43.9036 -10.6806 51.3225 1.58778 44.4803 -0.412321 -3.03671 TIMING: 2402400 CPU: 7505.02, 0.00310659/step Wall: 7505.02, 0.00310659/step, 2.24158 hours remaining, 235.796875 MB of memory in use. ENERGY: 2402400 3919.4107 20481.7517 14384.0052 246.2998 -203506.4127 2898.0914 0.0000 0.0000 52033.7669 -109543.0871 299.0388 -161576.8540 -109173.8804 298.7003 189.3198 219.3089 761686.2780 4.4896 4.3752 PRESSURE: 2402600 -183.668 183.141 197.728 183.141 -13.3625 -153.928 197.726 -153.929 279.867 GPRESSURE: 2402600 -92.5435 198.003 197.833 311.432 -9.08814 -235.994 82.2245 -46.1164 267.045 PRESSAVG: 2402600 -71.182 21.1107 -18.5261 21.1108 50.874 0.4789 -18.5261 0.478848 -7.93174 GPRESSAVG: 2402600 -71.9116 19.743 -19.7434 22.0579 50.3225 -1.30671 -19.4523 1.10788 -6.64532 TIMING: 2402600 CPU: 7505.64, 0.00310046/step Wall: 7505.64, 0.00310046/step, 2.23698 hours remaining, 235.796875 MB of memory in use. ENERGY: 2402600 4033.3323 20561.4173 14394.6408 248.6042 -203299.5518 2677.6775 0.0000 0.0000 51957.6259 -109426.2538 298.6012 -161383.8797 -109073.0505 298.6791 27.6123 55.1377 763163.4176 -9.4132 -9.4115 PRESSURE: 2402800 -52.1652 159.936 214.26 159.935 389.564 -10.3426 214.26 -10.3409 417.149 GPRESSURE: 2402800 58.339 171.492 201.243 118.16 368.524 -56.5771 137.809 -144.768 422.739 PRESSAVG: 2402800 -21.5239 52.5588 -1.76145 52.5588 34.16 -33.1436 -1.76137 -33.1437 5.95206 GPRESSAVG: 2402800 -20.8307 54.1399 -0.63144 53.9166 34.6395 -30.2959 -2.16097 -34.3384 5.22209 TIMING: 2402800 CPU: 7506.26, 0.00309487/step Wall: 7506.26, 0.00309487/step, 2.23278 hours remaining, 235.796875 MB of memory in use. ENERGY: 2402800 3986.8036 20516.6610 14402.1626 234.1198 -203121.0454 2664.7132 0.0000 0.0000 52010.0927 -109306.4925 298.9027 -161316.5852 -108943.4541 299.0926 251.5161 283.2006 762466.8879 6.1961 6.3436 PRESSURE: 2403000 -62.0199 -54.5711 -108.235 -54.571 178.789 136.662 -108.234 136.661 40.5496 GPRESSURE: 2403000 -92.6686 -79.6931 -68.7177 -33.6694 355.884 124.107 -71.2387 82.0362 -28.1025 PRESSAVG: 2403000 -17.1203 -6.36128 30.3877 -6.36126 18.6707 -25.9324 30.3877 -25.9324 -7.2651 GPRESSAVG: 2403000 -17.9377 -7.04018 29.5146 -7.1736 18.6187 -25.6979 30.5327 -22.99 -6.96132 TIMING: 2403000 CPU: 7506.88, 0.00309229/step Wall: 7506.88, 0.00309229/step, 2.23074 hours remaining, 235.796875 MB of memory in use. ENERGY: 2403000 4020.9875 20385.1163 14433.9440 245.4240 -203061.9152 2505.3910 0.0000 0.0000 52147.1325 -109323.9200 299.6903 -161471.0525 -108957.2040 299.0556 52.4394 78.3711 762151.9266 -1.9049 -2.0934 PRESSURE: 2403200 475.698 91.7245 -1.69051 91.7243 231.979 21.3237 -1.69065 21.3226 0.1793 GPRESSURE: 2403200 495.366 29.1704 38.9894 37.974 266.881 -10.7152 36.4494 60.0726 26.8909 PRESSAVG: 2403200 32.8071 60.8726 -51.5752 60.8726 -52.239 -15.2101 -51.5752 -15.2101 -11.1441 GPRESSAVG: 2403200 32.669 59.3096 -51.6785 60.4652 -51.5965 -16.4091 -50.2424 -15.8821 -11.2956 TIMING: 2403200 CPU: 7507.5, 0.00310035/step Wall: 7507.5, 0.00310035/step, 2.23638 hours remaining, 235.796875 MB of memory in use. ENERGY: 2403200 3928.8891 20601.8253 14378.1246 235.9864 -203708.8732 2879.8055 0.0000 0.0000 52397.4245 -109286.8178 301.1287 -161684.2422 -108920.1894 298.8844 235.9521 263.0460 761032.0670 -10.1920 -10.0744 PRESSURE: 2403400 95.9442 260.591 -21.9139 260.592 18.4444 111.813 -21.9133 111.814 -135.928 GPRESSURE: 2403400 155.357 223.206 -105.324 330.897 -15.7844 177.671 62.9291 26.6745 -88.4761 PRESSAVG: 2403400 -0.516029 6.05098 -37.7938 6.05086 -11.8961 -52.3799 -37.7938 -52.3799 32.3003 GPRESSAVG: 2403400 0.0392835 6.84392 -37.9649 6.89473 -12.8101 -49.6926 -38.9624 -54.6482 32.394 TIMING: 2403400 CPU: 7508.12, 0.00311008/step Wall: 7508.12, 0.00311008/step, 2.24323 hours remaining, 235.796875 MB of memory in use. ENERGY: 2403400 4003.1694 20577.0372 14439.7050 237.4264 -203000.7107 2576.8862 0.0000 0.0000 51796.8010 -109369.6855 297.6769 -161166.4865 -109003.2698 299.2274 -7.1798 17.0322 762549.4136 6.6294 6.5411 PRESSURE: 2403600 -50.9491 -152.639 143.992 -152.641 -311.169 -116.296 143.992 -116.296 -77.0103 GPRESSURE: 2403600 -0.664112 -16.6629 160.816 -252.123 -297.647 -157.416 151.293 -40.3829 -69.1078 PRESSAVG: 2403600 -9.91914 45.3028 -21.0725 45.3028 19.5433 -53.6676 -21.0725 -53.6676 2.15589 GPRESSAVG: 2403600 -10.4461 48.1014 -21.9993 44.1984 19.7122 -56.1605 -19.5603 -50.7124 2.86811 TIMING: 2403600 CPU: 7508.74, 0.00310084/step Wall: 7508.74, 0.00310084/step, 2.2364 hours remaining, 235.796875 MB of memory in use. ENERGY: 2403600 4021.0703 20576.4131 14421.3614 261.5894 -203066.3619 2436.8043 0.0000 0.0000 52056.2257 -109292.8976 299.1678 -161349.1233 -108941.5335 298.6687 -146.3763 -122.4730 761191.1689 3.9267 4.0447 PRESSURE: 2403800 -137.516 271.065 -26.81 271.065 -223.921 182.153 -26.8104 182.153 102.746 GPRESSURE: 2403800 -108.961 165.782 -24.5675 327.384 -143.944 198 -45.4784 161.35 79.4894 PRESSAVG: 2403800 -9.66851 48.925 -43.6042 48.925 -2.22976 30.3159 -43.6041 30.3159 18.0544 GPRESSAVG: 2403800 -8.84789 46.0048 -41.7759 49.6609 -1.58124 30.6644 -45.6133 31.1734 16.812 TIMING: 2403800 CPU: 7509.36, 0.00310201/step Wall: 7509.36, 0.00310201/step, 2.23707 hours remaining, 235.796875 MB of memory in use. ENERGY: 2403800 3982.1661 20501.4287 14491.5749 254.2709 -203162.5519 2660.2673 0.0000 0.0000 52096.1635 -109176.6806 299.3974 -161272.8441 -108810.7346 299.4623 -86.2304 -57.8051 762690.2774 2.0520 2.1276 PRESSURE: 2404000 -161.476 -119.696 219.3 -119.696 -6.97422 101.089 219.3 101.088 -359.752 GPRESSURE: 2404000 -121.607 -209.669 254.285 2.97314 -25.6839 -6.23036 108.944 71.8311 -285.249 PRESSAVG: 2404000 -7.61898 -19.7685 -23.3674 -19.7685 12.9372 -48.4624 -23.3673 -48.4625 15.7317 GPRESSAVG: 2404000 -8.47033 -18.9235 -23.5556 -18.572 11.9491 -47.0411 -21.9699 -51.025 17.2752 TIMING: 2404000 CPU: 7509.98, 0.0031065/step Wall: 7509.98, 0.00310649/step, 2.24013 hours remaining, 235.796875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2404000 4000.8473 20672.0048 14476.8127 249.3502 -203468.6893 2736.6036 0.0000 0.0000 52246.0539 -109087.0170 300.2588 -161333.0709 -108729.9770 299.6609 -176.0673 -144.1798 761913.2021 7.0167 6.9180 PRESSURE: 2404200 -86.7482 -10.6095 -10.1791 -10.6083 31.877 64.4562 -10.1796 64.4565 -138.016 GPRESSURE: 2404200 -70.5295 124.958 -3.98674 -115.927 33.4167 76.6768 48.4983 150.051 -57.9534 PRESSAVG: 2404200 -11.4479 18.5719 -6.2406 18.5718 29.4551 26.3147 -6.24061 26.3147 27.7796 GPRESSAVG: 2404200 -10.5391 19.7595 -5.85516 16.5568 30.0813 24.4963 -7.04493 27.3838 26.7686 TIMING: 2404200 CPU: 7510.61, 0.00311454/step Wall: 7510.61, 0.00311454/step, 2.24576 hours remaining, 235.796875 MB of memory in use. ENERGY: 2404200 4022.7504 20534.1129 14435.6179 224.6878 -203001.8937 2618.0284 0.0000 0.0000 52078.3884 -109088.3078 299.2952 -161166.6963 -108728.0167 299.9324 -64.2957 -31.6887 763202.4299 15.2623 15.4369 LDB: ============= START OF LOAD BALANCING ============== 7523.08 LDB: ============== END OF LOAD BALANCING =============== 7523.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7523.09 LDB: ============= START OF LOAD BALANCING ============== 7523.4 LDB: Largest compute 7078 load 0.033282 is 17.1% of average load 0.194980 LDB: Average compute 0.004419 is 2.3% of average load 0.194980 LDB: TIME 7523.4 LOAD: AVG 0.19498 MAX 0.218445 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.512 MB LDB: TIME 7523.4 LOAD: AVG 0.19498 MAX 0.218445 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.715 MB LDB: TIME 7523.4 LOAD: AVG 0.19498 MAX 0.21626 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.715 MB LDB: ============== END OF LOAD BALANCING =============== 7523.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7523.41 PRESSURE: 2404400 -165.18 47.3065 59.8207 47.3072 -224.554 133.344 59.8195 133.344 26.4479 GPRESSURE: 2404400 -167.443 -13.4917 30.9151 68.1305 -44.7843 93.9387 69.8153 17.2021 -51.3772 PRESSAVG: 2404400 -73.6046 31.9993 -55.0335 31.9994 43.197 63.2868 -55.0335 63.2869 -13.9261 GPRESSAVG: 2404400 -73.6195 30.9616 -56.3571 33.5768 43.5933 63.9612 -57.2622 62.8514 -14.2997 TIMING: 2404400 CPU: 7511.25, 0.00319486/step Wall: 7511.25, 0.00319486/step, 2.30349 hours remaining, 234.253906 MB of memory in use. ENERGY: 2404400 4017.2845 20576.7115 14380.9626 275.1143 -203392.1760 2994.1188 0.0000 0.0000 52089.5675 -109058.4169 299.3595 -161147.9844 -108695.5010 299.9456 -121.0952 -87.8683 762530.2679 -14.7779 -14.7753 PRESSURE: 2404600 -142.447 144.388 -197.876 144.389 -240.611 67.9964 -197.875 67.9962 -394.247 GPRESSURE: 2404600 -148.817 82.6156 -161.846 12.8865 -265.58 71.4155 -129.899 88.9975 -282.093 PRESSAVG: 2404600 3.71673 -14.9012 -51.3258 -14.9013 4.81985 -76.0901 -51.3258 -76.0902 20.1128 GPRESSAVG: 2404600 2.64656 -13.4871 -53.195 -17.574 4.55511 -76.5917 -49.4766 -77.6657 21.2129 TIMING: 2404600 CPU: 7511.87, 0.0030976/step Wall: 7511.87, 0.0030976/step, 2.2332 hours remaining, 234.253906 MB of memory in use. ENERGY: 2404600 4049.2044 20822.3907 14454.9876 239.0863 -203400.0664 2806.6048 0.0000 0.0000 52024.9601 -109002.8323 298.9882 -161027.7925 -108636.3006 299.9916 -259.1020 -232.1631 761309.8414 9.5498 9.4715 PRESSURE: 2404800 88.7093 -115.744 -174.868 -115.745 44.2956 56.525 -174.867 56.5257 -77.7599 GPRESSURE: 2404800 132.225 -156.298 -292.034 -181.517 33.2913 114.591 -157.405 73.2552 -40.3566 PRESSAVG: 2404800 35.0986 8.66431 -21.0778 8.6643 12.4344 -30.1652 -21.0778 -30.1652 6.63041 GPRESSAVG: 2404800 35.2254 5.79748 -19.7211 11.6365 13.3218 -31.5243 -19.1551 -29.1835 5.58966 TIMING: 2404800 CPU: 7512.48, 0.00309776/step Wall: 7512.48, 0.00309776/step, 2.23314 hours remaining, 234.253906 MB of memory in use. ENERGY: 2404800 4041.3247 20684.5376 14390.6383 243.3029 -202898.0719 2571.5528 0.0000 0.0000 52032.9481 -108933.7675 299.0341 -160966.7156 -108565.8605 300.4277 18.4150 41.7200 762162.7419 18.0545 18.0456 PRESSURE: 2405000 -442.842 112.649 -78.4012 112.65 33.3097 -184.093 -78.4015 -184.092 -180.011 GPRESSURE: 2405000 -306.749 119.609 -93.4761 28.9737 -3.83961 -269.881 -38.1337 -181.364 -196.528 PRESSAVG: 2405000 -25.1375 -31.6875 50.1133 -31.6875 33.3675 -33.2945 50.1133 -33.2945 -10.8857 GPRESSAVG: 2405000 -23.8454 -31.6337 51.6382 -32.3056 32.1069 -32.0008 46.9697 -30.7643 -11.231 TIMING: 2405000 CPU: 7513.11, 0.0031034/step Wall: 7513.11, 0.0031034/step, 2.23703 hours remaining, 234.253906 MB of memory in use. ENERGY: 2405000 3983.2248 20582.7534 14463.4916 237.1403 -202873.5426 2488.1142 0.0000 0.0000 51965.9773 -109152.8411 298.6492 -161118.8183 -108781.3057 299.8118 -196.5143 -169.0388 761456.7315 -0.8852 -0.9898 PRESSURE: 2405200 157.664 -177.97 -69.6663 -177.97 -125.372 34.8861 -69.6671 34.8868 404.067 GPRESSURE: 2405200 139.974 -213.666 -53.2143 -77.4792 -42.3166 -68.4891 0.0403046 1.07136 410.595 PRESSAVG: 2405200 -49.721 -21.9494 40.0066 -21.9495 8.39944 -14.3445 40.0066 -14.3444 10.8985 GPRESSAVG: 2405200 -50.7738 -21.2537 39.2282 -22.7024 9.55513 -14.0075 42.2782 -17.9969 10.7483 TIMING: 2405200 CPU: 7513.73, 0.00309895/step Wall: 7513.73, 0.00309895/step, 2.23365 hours remaining, 234.253906 MB of memory in use. ENERGY: 2405200 3993.8555 20640.4807 14499.7509 244.6611 -203221.6005 2809.3187 0.0000 0.0000 52251.3007 -108782.2329 300.2889 -161033.5336 -108417.9136 299.9918 145.4530 169.4178 762559.2325 -10.1410 -10.1568 PRESSURE: 2405400 49.3132 -17.3268 85.248 -17.3282 254.896 27.1581 85.2478 27.1582 -196.238 GPRESSURE: 2405400 61.3397 -8.63942 115.189 60.0228 249.775 170.785 54.3919 51.4315 -122.745 PRESSAVG: 2405400 -11.4907 -46.2221 -4.86479 -46.2221 43.5222 -42.8446 -4.86482 -42.8447 -4.74144 GPRESSAVG: 2405400 -12.1829 -46.1853 -3.8152 -47.0563 43.3632 -42.4831 -5.346 -40.1417 -3.85521 TIMING: 2405400 CPU: 7514.35, 0.00310599/step Wall: 7514.35, 0.00310599/step, 2.23855 hours remaining, 234.253906 MB of memory in use. ENERGY: 2405400 4028.6364 20646.9085 14548.2075 231.5568 -203218.7955 2788.6754 0.0000 0.0000 52305.9168 -108668.8941 300.6028 -160974.8109 -108310.3620 300.3820 35.9906 62.7900 762873.8455 9.0967 9.1084 PRESSURE: 2405600 -21.7856 -0.136955 -171.63 -0.137193 -426.662 -36.8079 -171.63 -36.8099 251.483 GPRESSURE: 2405600 2.81261 140.477 -119.004 95.6906 -373.892 29.3525 -186.046 -61.2215 275.301 PRESSAVG: 2405600 -22.5351 -33.5105 -103.445 -33.5106 14.6658 -35.7637 -103.445 -35.7637 7.91659 GPRESSAVG: 2405600 -20.7016 -33.1454 -103.342 -33.4199 14.0955 -35.6048 -106.422 -36.8181 6.52555 TIMING: 2405600 CPU: 7514.97, 0.00311641/step Wall: 7514.97, 0.00311641/step, 2.24589 hours remaining, 234.253906 MB of memory in use. ENERGY: 2405600 4090.6675 20676.5735 14426.6007 241.2590 -203451.0614 2899.7338 0.0000 0.0000 52326.8717 -108789.3552 300.7233 -161116.2269 -108427.1714 300.4615 -65.6547 -31.9260 762515.8350 0.0158 -0.0268 PRESSURE: 2405800 -14.5577 -68.0334 -75.7796 -68.0331 50.5937 -282.646 -75.7791 -282.645 -37.7313 GPRESSURE: 2405800 49.6889 80.841 -64.132 -5.66588 79.6145 -253.246 -13.5608 -141.564 -46.3142 PRESSAVG: 2405800 19.5205 -41.5333 24.2378 -41.5333 25.5857 -30.4078 24.2379 -30.408 -8.43826 GPRESSAVG: 2405800 17.0423 -40.2247 23.0722 -39.9429 26.4192 -31.8724 27.0373 -30.3372 -7.31622 TIMING: 2405800 CPU: 7515.59, 0.00309563/step Wall: 7515.59, 0.00309563/step, 2.23074 hours remaining, 234.253906 MB of memory in use. ENERGY: 2405800 3963.5656 20680.6306 14435.4436 232.1147 -203420.5392 2817.1542 0.0000 0.0000 52208.5224 -109083.1080 300.0431 -161291.6305 -108733.1537 299.7926 -0.5651 27.6631 762977.9374 12.2227 12.0484 PRESSURE: 2406000 13.8963 -41.4903 -66.1005 -41.4913 96.3408 -19.4295 -66.101 -19.4287 -31.4764 GPRESSURE: 2406000 63.1673 -84.4112 25.9852 -94.7074 67.4224 -42.1403 -53.6467 -2.64698 9.13601 PRESSAVG: 2406000 -5.45704 -24.8278 60.1729 -24.8278 10.507 -19.5173 60.1729 -19.5172 14.7071 GPRESSAVG: 2406000 -2.20421 -28.0341 61.6705 -25.037 8.38084 -17.0075 59.8406 -20.3901 14.3298 TIMING: 2406000 CPU: 7516.21, 0.0030992/step Wall: 7516.21, 0.0030992/step, 2.23314 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2406000 3966.9888 20648.9094 14404.3922 236.8966 -203178.0078 2562.0777 0.0000 0.0000 52269.1504 -109089.5927 300.3915 -161358.7431 -108733.9140 299.6392 26.2536 46.5752 761888.1768 6.5857 6.8355 PRESSURE: 2406200 121.177 -250.97 230.843 -250.97 265.006 212.991 230.843 212.991 103.222 GPRESSURE: 2406200 44.9264 -244.017 156.148 -301.463 411.896 174.082 281.686 124.402 102.056 PRESSAVG: 2406200 -30.0665 -8.44939 41.6206 -8.44937 19.6882 -8.50758 41.6207 -8.50753 -9.63221 GPRESSAVG: 2406200 -31.4294 -7.21171 40.7747 -7.44107 20.6844 -10.8736 39.5219 -9.29881 -9.51747 TIMING: 2406200 CPU: 7516.83, 0.00309579/step Wall: 7516.83, 0.00309579/step, 2.23052 hours remaining, 234.253906 MB of memory in use. ENERGY: 2406200 4027.1584 20573.1829 14362.3596 239.8714 -203040.1821 2575.4309 0.0000 0.0000 52072.6301 -109189.5488 299.2621 -161262.1789 -108826.5323 298.9907 163.1348 186.2926 762520.3926 -6.6702 -6.7542 PRESSURE: 2406400 -73.564 -238.828 31.9483 -238.827 -70.0269 -422.423 31.9489 -422.423 -168.706 GPRESSURE: 2406400 -34.1814 -119.355 85.1068 -177.132 -16.1679 -466.962 30.8507 -378.415 -162.115 PRESSAVG: 2406400 -33.1155 -6.35734 11.024 -6.35732 3.14456 10.8822 11.024 10.8821 9.60682 GPRESSAVG: 2406400 -32.7589 -6.31785 11.2037 -7.01941 3.09302 12.1622 13.6121 14.1413 9.96758 TIMING: 2406400 CPU: 7517.45, 0.00310138/step Wall: 7517.45, 0.00310138/step, 2.23437 hours remaining, 234.253906 MB of memory in use. ENERGY: 2406400 3951.3884 20470.1444 14369.8141 245.2734 -203255.1629 2714.0596 0.0000 0.0000 52054.0038 -109450.4794 299.1551 -161504.4831 -109088.9597 298.9826 -104.0989 -70.8215 762500.4403 -6.7881 -6.5661 PRESSURE: 2406600 -53.5428 -244.154 -114.769 -244.153 -293.938 91.7329 -114.769 91.7312 54.2371 GPRESSURE: 2406600 0.281833 -195.977 -102.173 -274.469 -268.397 63.3615 -253.146 33.1747 44.0366 PRESSAVG: 2406600 31.0652 -36.4407 -17.7628 -36.4407 -3.01479 -18.3966 -17.7629 -18.3966 15.9794 GPRESSAVG: 2406600 30.8935 -35.3847 -18.1967 -37.1217 -3.65528 -20.9863 -18.8092 -18.3933 16.057 TIMING: 2406600 CPU: 7518.07, 0.00310945/step Wall: 7518.07, 0.00310945/step, 2.24001 hours remaining, 234.253906 MB of memory in use. ENERGY: 2406600 4050.6371 20522.8360 14389.0198 257.7144 -202949.0131 2476.3612 0.0000 0.0000 51592.6053 -109659.8394 296.5034 -161252.4447 -109306.0051 298.5256 -97.7479 -74.6927 761740.6788 14.6766 14.4318 PRESSURE: 2406800 219.309 -191.103 44.1386 -191.102 -76.3244 -259.284 44.1391 -259.284 83.4865 GPRESSURE: 2406800 295.181 -119.5 62.5878 -134.237 -109.085 -207.405 70.5221 -218.845 117.592 PRESSAVG: 2406800 38.1377 -43.3344 12.9336 -43.3344 -37.4658 -50.9276 12.9336 -50.9276 -2.73232 GPRESSAVG: 2406800 37.6221 -43.1996 12.015 -42.7103 -35.3328 -48.751 13.1034 -53.1502 -4.33765 TIMING: 2406800 CPU: 7518.69, 0.00311877/step Wall: 7518.69, 0.00311877/step, 2.24655 hours remaining, 234.253906 MB of memory in use. ENERGY: 2406800 3940.8388 20445.7710 14440.3057 239.7925 -203600.9979 2880.0016 0.0000 0.0000 52210.8822 -109443.4061 300.0567 -161654.2883 -109088.8804 298.0589 75.4904 101.2291 761894.1006 -0.6868 -0.6828 PRESSURE: 2407000 171.948 64.2942 78.4899 64.2936 -179.299 169.323 78.4897 169.324 25.2544 GPRESSURE: 2407000 181.875 45.2841 51.2386 35.3826 -115.989 157.565 106.237 284.032 26.6907 PRESSAVG: 2407000 -15.7875 1.091 5.90872 1.091 4.39185 -95.9983 5.90869 -95.9983 34.9699 GPRESSAVG: 2407000 -16.2438 0.306583 5.32076 0.765161 3.84185 -96.8364 6.03515 -94.2895 35.8893 TIMING: 2407000 CPU: 7519.32, 0.00310817/step Wall: 7519.32, 0.00310817/step, 2.23874 hours remaining, 234.253906 MB of memory in use. ENERGY: 2407000 3944.6073 20657.6602 14392.0828 261.2448 -203627.8046 2815.2356 0.0000 0.0000 52003.0246 -109553.9492 298.8621 -161556.9738 -109190.0932 298.8675 5.9678 30.8587 762096.3517 7.8581 7.8291 PRESSURE: 2407200 240.627 61.9501 -180.621 61.9501 161.335 34.1247 -180.62 34.1258 130.204 GPRESSURE: 2407200 245.308 -81.1748 -108.996 69.0446 279.969 29.6019 -83.219 -114.489 87.2054 PRESSAVG: 2407200 4.59522 -42.3777 9.55628 -42.3777 -34.9396 -60.9231 9.5563 -60.9231 22.7839 GPRESSAVG: 2407200 4.81498 -43.3241 8.40016 -42.7127 -35.162 -61.1423 11.3525 -63.3124 22.7794 TIMING: 2407200 CPU: 7519.94, 0.00310859/step Wall: 7519.94, 0.00310859/step, 2.23887 hours remaining, 234.253906 MB of memory in use. ENERGY: 2407200 3892.0434 20599.1753 14411.4200 231.9510 -203833.2260 2922.9738 0.0000 0.0000 52039.4676 -109736.1948 299.0715 -161775.6624 -109375.4863 298.5615 177.3886 204.1609 760496.0455 -2.5202 -2.5225 PRESSURE: 2407400 321.393 23.466 -9.06433 23.4662 -6.40668 -177.497 -9.06439 -177.498 48.6204 GPRESSURE: 2407400 335.522 -5.05183 -2.66945 125.249 75.7801 -264.123 20.7928 -76.7279 37.6645 PRESSAVG: 2407400 34.0842 5.33954 11.1321 5.33956 -12.0279 -65.3805 11.1321 -65.3804 -14.366 GPRESSAVG: 2407400 34.4695 6.76674 10.9543 6.83244 -11.6496 -65.6898 10.4976 -64.8132 -15.7108 TIMING: 2407400 CPU: 7520.56, 0.00310387/step Wall: 7520.56, 0.00310387/step, 2.23531 hours remaining, 234.253906 MB of memory in use. ENERGY: 2407400 4029.2808 20424.8148 14407.5802 242.7954 -203648.4393 2826.0267 0.0000 0.0000 51993.9870 -109723.9544 298.8102 -161717.9414 -109361.2196 298.5088 121.2023 149.6557 761056.4565 2.5634 2.3697 PRESSURE: 2407600 191.229 -75.638 113.503 -75.6385 326.256 22.2672 113.504 22.2678 412.256 GPRESSURE: 2407600 132.454 24.68 161.197 -108.044 341.99 -32.2079 -51.4659 128.042 527.688 PRESSAVG: 2407600 34.8341 1.40573 -42.6651 1.40564 -26.6905 8.39308 -42.6652 8.39313 38.8095 GPRESSAVG: 2407600 34.2268 2.02725 -40.7593 -1.48979 -27.3665 7.20943 -45.267 12.5263 39.8301 TIMING: 2407600 CPU: 7521.18, 0.00309849/step Wall: 7521.18, 0.00309849/step, 2.23126 hours remaining, 234.253906 MB of memory in use. ENERGY: 2407600 3965.4263 20539.8719 14444.9037 274.4277 -203915.7286 3038.3073 0.0000 0.0000 51959.6428 -109693.1488 298.6128 -161652.7916 -109341.2167 298.3142 309.9137 334.0441 762381.4719 15.6510 15.5635 PRESSURE: 2407800 129.595 -178.799 62.1933 -178.799 292.39 -162.238 62.1933 -162.237 -90.6607 GPRESSURE: 2407800 200.096 -144.007 51.8031 -167.514 336.183 -206.653 74.1054 -151.474 -102.22 PRESSAVG: 2407800 -13.5501 -3.87861 -31.9375 -3.8786 5.0659 -81.5536 -31.9375 -81.5537 -9.28345 GPRESSAVG: 2407800 -13.6819 -2.53436 -33.3033 -2.65458 4.98867 -79.0966 -30.6896 -87.3732 -8.67983 TIMING: 2407800 CPU: 7521.8, 0.00310699/step Wall: 7521.8, 0.00310699/step, 2.2372 hours remaining, 234.253906 MB of memory in use. ENERGY: 2407800 4033.9018 20352.5881 14415.0789 265.7486 -203268.4043 2741.8474 0.0000 0.0000 51852.4395 -109606.8002 297.9967 -161459.2397 -109248.9781 298.4599 110.4416 144.6863 761852.5734 -5.9225 -5.7910 PRESSURE: 2408000 77.9963 116.936 -200.649 116.936 -204.692 35.9037 -200.649 35.9037 -326.005 GPRESSURE: 2408000 64.807 32.0982 -213.773 199.105 -105.864 118.04 -174.562 29.0358 -334.832 PRESSAVG: 2408000 2.44271 9.35214 12.9324 9.35218 3.17746 -34.7449 12.9325 -34.7449 -10.3414 GPRESSAVG: 2408000 2.78256 6.40071 13.7375 9.73893 4.57848 -35.619 12.4048 -32.9153 -12.1339 TIMING: 2408000 CPU: 7522.42, 0.00310119/step Wall: 7522.42, 0.00310119/step, 2.23286 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2408000 4072.1958 20343.4699 14423.2760 251.6088 -203390.1396 2790.4267 0.0000 0.0000 51830.3688 -109678.7936 297.8698 -161509.1624 -109321.1941 298.3024 -150.9002 -125.2963 763026.5133 -1.5737 -1.5910 PRESSURE: 2408200 160.415 -10.4341 67.4977 -10.4337 155.637 126.863 67.4987 126.863 205.474 GPRESSURE: 2408200 190.059 -32.8621 -52.0071 -40.9754 168.552 84.4067 42.2293 83.817 237.296 PRESSAVG: 2408200 -21.5348 -3.00466 -2.1793 -3.00476 -43.3655 -47.9277 -2.17926 -47.9277 18.9091 GPRESSAVG: 2408200 -20.5948 -2.86112 -3.78427 -2.8186 -44.4681 -48.8589 -1.04771 -48.0783 18.6635 TIMING: 2408200 CPU: 7523.04, 0.00310191/step Wall: 7523.04, 0.00310191/step, 2.2332 hours remaining, 234.253906 MB of memory in use. ENERGY: 2408200 3995.8819 20515.6712 14451.7434 253.0068 -203406.0574 2926.9839 0.0000 0.0000 51901.8786 -109360.8916 298.2808 -161262.7702 -109002.0897 298.4205 173.8419 198.6359 763245.0714 -15.3304 -15.4665 LDB: ============= START OF LOAD BALANCING ============== 7535.51 LDB: ============== END OF LOAD BALANCING =============== 7535.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7535.52 LDB: ============= START OF LOAD BALANCING ============== 7535.83 LDB: Largest compute 7037 load 0.029795 is 15.3% of average load 0.195172 LDB: Average compute 0.004422 is 2.3% of average load 0.195172 LDB: TIME 7535.83 LOAD: AVG 0.195172 MAX 0.221922 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 7535.83 LOAD: AVG 0.195172 MAX 0.221922 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: TIME 7535.83 LOAD: AVG 0.195172 MAX 0.215813 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: ============== END OF LOAD BALANCING =============== 7535.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7535.84 PRESSURE: 2408400 45.0773 1.27616 -1.24988 1.27659 -292.891 74.6878 -1.25003 74.688 308.682 GPRESSURE: 2408400 96.1791 -26.8791 63.9489 -127.653 -239.038 27.8619 54.7916 59.8546 288.303 PRESSAVG: 2408400 -38.2463 -2.56273 27.206 -2.56276 9.44285 -76.4629 27.2059 -76.4629 2.33185 GPRESSAVG: 2408400 -39.1821 -1.72667 26.1665 -3.14866 9.40251 -75.687 27.541 -77.0597 3.35114 TIMING: 2408400 CPU: 7523.67, 0.00316407/step Wall: 7523.67, 0.00316407/step, 2.27778 hours remaining, 234.253906 MB of memory in use. ENERGY: 2408400 3936.2134 20453.0464 14455.9351 247.7110 -203101.8359 2729.6741 0.0000 0.0000 51854.2257 -109425.0302 298.0069 -161279.2559 -109067.4712 298.2957 20.2894 48.4814 763774.7612 -8.8239 -8.8095 PRESSURE: 2408600 82.0923 147.65 -80.2128 147.651 -194.176 -186.718 -80.2121 -186.719 -209.496 GPRESSURE: 2408600 131.802 169.143 -73.9209 113.326 -181.216 -72.0304 -76.0482 -185.12 -191.637 PRESSAVG: 2408600 42.9213 -40.698 61.9571 -40.698 -38.2045 -60.0807 61.9571 -60.0807 10.7279 GPRESSAVG: 2408600 41.9843 -39.8432 64.4833 -42.2835 -37.9343 -60.032 60.5265 -59.8882 11.3579 TIMING: 2408600 CPU: 7524.3, 0.0031225/step Wall: 7524.3, 0.0031225/step, 2.24768 hours remaining, 234.253906 MB of memory in use. ENERGY: 2408600 4014.9146 20438.1040 14361.3399 232.9225 -203417.0071 2734.5721 0.0000 0.0000 52126.6876 -109508.4664 299.5728 -161635.1540 -109152.5826 298.6643 -107.1934 -80.3503 762902.8258 5.1482 5.1360 PRESSURE: 2408800 157.458 -34.8234 -1.9908 -34.8233 -77.2948 341.376 -1.99106 341.376 -13.1368 GPRESSURE: 2408800 198.577 -72.0744 -1.58997 -37.3823 -31.3618 271.902 125.293 337.867 -23.806 PRESSAVG: 2408800 58.0899 7.97951 -28.0994 7.97948 -15.0604 8.05831 -28.0994 8.05833 15.6788 GPRESSAVG: 2408800 58.9981 8.77571 -29.6289 9.70589 -15.6896 9.7156 -26.7451 6.20094 14.8845 TIMING: 2408800 CPU: 7524.92, 0.00310082/step Wall: 7524.92, 0.00310082/step, 2.2319 hours remaining, 234.253906 MB of memory in use. ENERGY: 2408800 3922.3831 20538.3732 14335.2269 264.2083 -203399.7410 2882.1736 0.0000 0.0000 51801.0979 -109656.2780 297.7016 -161457.3758 -109297.1549 298.6116 22.3420 47.8031 764324.7145 19.5694 19.3977 PRESSURE: 2409000 -620.472 41.0727 47.2429 41.073 -455.28 118.697 47.2423 118.696 -51.2055 GPRESSURE: 2409000 -507.243 -110.686 107.476 127.08 -389.204 79.1831 85.9786 131.017 -148.674 PRESSAVG: 2409000 27.8604 -38.7593 5.45573 -38.7593 -34.2526 -7.11515 5.45574 -7.11515 -21.0897 GPRESSAVG: 2409000 27.0412 -40.8469 6.22317 -40.6716 -32.3519 -10.0148 5.64157 -4.24892 -22.3219 TIMING: 2409000 CPU: 7525.54, 0.0031103/step Wall: 7525.54, 0.00311029/step, 2.23855 hours remaining, 234.253906 MB of memory in use. ENERGY: 2409000 3929.0059 20300.2222 14506.0486 231.3586 -203044.6363 2368.0768 0.0000 0.0000 52096.0823 -109613.8418 299.3969 -161709.9241 -109243.3041 298.5810 -375.6524 -348.3736 764017.6982 -9.1606 -9.2108 PRESSURE: 2409200 -238.134 -6.67739 -83.02 -6.67735 -180.101 46.999 -83.0195 46.999 30.0201 GPRESSURE: 2409200 -274.242 2.55133 -57.7442 -51.9823 -158.179 30.179 -183.16 102.657 129.677 PRESSAVG: 2409200 17.9732 0.395618 -21.2549 0.395577 -47.8346 -16.337 -21.255 -16.3371 -0.738024 GPRESSAVG: 2409200 18.8738 1.35042 -20.6765 0.71439 -49.5689 -15.7285 -22.0512 -16.1563 -0.970533 TIMING: 2409200 CPU: 7526.16, 0.00311085/step Wall: 7526.16, 0.00311085/step, 2.23877 hours remaining, 234.253906 MB of memory in use. ENERGY: 2409200 4012.9127 20518.0472 14543.6827 221.4643 -203149.2098 2578.7518 0.0000 0.0000 51797.7729 -109476.5783 297.6825 -161274.3512 -109122.0126 298.9892 -129.4049 -100.9148 762156.2306 -10.1998 -10.5552 PRESSURE: 2409400 132.875 -103.408 -161.894 -103.408 1.74124 -203.465 -161.894 -203.466 -241.899 GPRESSURE: 2409400 92.9851 -123.343 -168.668 -30.0898 49.818 -183.082 -188.975 -177.187 -175.376 PRESSAVG: 2409400 -1.64469 -41.0232 26.7214 -41.0232 -53.793 -52.2831 26.7214 -52.2832 7.06855 GPRESSAVG: 2409400 -2.3623 -41.1977 25.0781 -39.8866 -53.5405 -53.2547 26.0149 -53.5227 7.94036 TIMING: 2409400 CPU: 7526.78, 0.00310694/step Wall: 7526.78, 0.00310694/step, 2.23579 hours remaining, 234.253906 MB of memory in use. ENERGY: 2409400 4000.9680 20374.1127 14457.2929 223.3732 -203516.4477 2891.2079 0.0000 0.0000 51934.4761 -109635.0168 298.4681 -161569.4929 -109279.7407 298.4341 -35.7610 -10.8578 762395.8098 -16.1230 -15.9875 PRESSURE: 2409600 -364.188 143.902 97.0564 143.901 165.202 -107.683 97.0567 -107.683 -386.187 GPRESSURE: 2409600 -293.344 187.55 60.4499 65.3906 72.9023 -24.7046 44.1265 -182.805 -297.43 PRESSAVG: 2409600 -29.2365 -31.2333 -3.95392 -31.2333 21.3254 11.8965 -3.95395 11.8965 -13.9098 GPRESSAVG: 2409600 -28.4667 -31.8427 -5.29552 -32.6111 19.9048 13.0628 -3.1578 14.4753 -13.2127 TIMING: 2409600 CPU: 7527.4, 0.00310582/step Wall: 7527.4, 0.00310582/step, 2.23481 hours remaining, 234.253906 MB of memory in use. ENERGY: 2409600 3950.1604 20490.4689 14455.3707 224.6506 -203083.3674 2423.4587 0.0000 0.0000 51953.4149 -109585.8432 298.5770 -161539.2581 -109228.9604 297.9992 -195.0577 -172.6240 760679.7687 -7.2736 -7.2582 PRESSURE: 2409800 163.56 147.812 -36.0191 147.813 22.7338 19.9603 -36.0192 19.9596 697.323 GPRESSURE: 2409800 194.324 169.232 -65.1009 100.911 71.6082 8.29343 -35.0498 -22.7735 692.956 PRESSAVG: 2409800 23.1986 -20.1565 -44.9801 -20.1565 -10.4099 42.8294 -44.9801 42.8294 -22.9023 GPRESSAVG: 2409800 23.4036 -18.9984 -43.3444 -18.2532 -9.37989 40.8565 -44.7846 43.0068 -23.3889 TIMING: 2409800 CPU: 7528.03, 0.00312529/step Wall: 7528.03, 0.00312529/step, 2.24865 hours remaining, 234.253906 MB of memory in use. ENERGY: 2409800 3950.1156 20421.4041 14543.8505 240.0719 -204026.0216 3283.3122 0.0000 0.0000 51963.9759 -109623.2914 298.6377 -161587.2674 -109255.0736 298.9744 294.5388 319.6293 762202.0984 -3.3712 -3.1217 PRESSURE: 2410000 -137.545 64.3743 -29.5662 64.3743 -296.719 -265.134 -29.5652 -265.134 584.345 GPRESSURE: 2410000 -80.7719 55.1405 -19.0277 113.378 -222.006 -337.519 -53.5338 -179.607 552.8 PRESSAVG: 2410000 -8.22059 -10.8845 -80.3791 -10.8845 -23.441 -30.2021 -80.3791 -30.2022 15.4553 GPRESSAVG: 2410000 -7.10173 -10.1653 -78.8291 -12.8153 -24.3073 -29.4718 -82.06 -32.5023 15.2267 TIMING: 2410000 CPU: 7528.65, 0.00310946/step Wall: 7528.65, 0.00310946/step, 2.23709 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2410000 4016.6659 20362.6770 14508.7583 259.7456 -203481.4572 2639.2645 0.0000 0.0000 51983.7606 -109710.5853 298.7514 -161694.3459 -109356.7487 298.5369 50.0268 83.3408 763339.9640 -5.4021 -5.3941 PRESSURE: 2410200 229.303 -118.594 28.9391 -118.594 286.572 -221.972 28.9389 -221.973 -438.25 GPRESSURE: 2410200 204.011 -156.896 -68.4936 -174.195 351.756 -254.927 -98.7642 -174.868 -420.661 PRESSAVG: 2410200 -8.8309 -34.952 -35.2242 -34.952 1.43412 -38.2221 -35.2242 -38.222 6.38076 GPRESSAVG: 2410200 -11.2346 -35.5603 -37.0631 -34.6242 2.56264 -36.9449 -34.766 -37.7121 7.35268 TIMING: 2410200 CPU: 7529.27, 0.00311044/step Wall: 7529.27, 0.00311044/step, 2.23762 hours remaining, 234.253906 MB of memory in use. ENERGY: 2410200 4061.7968 20460.1435 14388.1505 247.2135 -203367.0356 2706.8415 0.0000 0.0000 52010.4932 -109492.3965 298.9050 -161502.8897 -109121.7078 298.2067 25.8748 45.0354 761951.2232 -0.3387 -0.4398 PRESSURE: 2410400 23.2828 148.303 136.636 148.304 285.241 -37.7407 136.637 -37.7405 -256.991 GPRESSURE: 2410400 83.7806 137.316 91.0456 119.161 287.074 -45.6951 104.43 -39.2627 -257.733 PRESSAVG: 2410400 1.18036 26.4495 5.02921 26.4495 22.2673 49.7475 5.02921 49.7474 -14.7112 GPRESSAVG: 2410400 2.201 27.0474 5.56973 26.1484 22.0128 50.1732 3.93198 49.1839 -15.7509 TIMING: 2410400 CPU: 7529.89, 0.00310607/step Wall: 7529.89, 0.00310607/step, 2.2343 hours remaining, 234.253906 MB of memory in use. ENERGY: 2410400 3965.8016 20605.5448 14454.8486 239.8931 -203322.8634 2754.1036 0.0000 0.0000 51949.2395 -109353.4322 298.5530 -161302.6718 -108996.1151 298.9172 17.1779 37.7072 762699.7923 2.9121 2.8210 PRESSURE: 2410600 102.988 -62.6347 9.34415 -62.6348 -420.106 134.919 9.34433 134.918 56.8293 GPRESSURE: 2410600 90.904 19.0789 66.8614 -49.8908 -325.303 54.3799 -19.4432 159.915 65.6923 PRESSAVG: 2410600 19.692 -3.56419 13.7756 -3.56426 -16.3484 27.7402 13.7757 27.7402 5.943 GPRESSAVG: 2410600 19.7659 -3.88629 14.3358 -2.28583 -16.1311 28.7557 16.2551 27.7761 5.30918 TIMING: 2410600 CPU: 7530.51, 0.00309773/step Wall: 7530.51, 0.00309773/step, 2.22813 hours remaining, 234.253906 MB of memory in use. ENERGY: 2410600 3995.3477 20541.9237 14433.1642 250.2273 -203276.2155 2687.7850 0.0000 0.0000 51926.1966 -109441.5711 298.4206 -161367.7678 -109078.3621 299.1910 -86.7631 -56.2357 761994.1177 3.0955 2.9813 PRESSURE: 2410800 -160.786 77.6559 4.08669 77.6557 110.073 81.3097 4.08681 81.3089 -200.991 GPRESSURE: 2410800 -148.55 50.6081 -22.5623 96.9473 125.105 77.3243 -54.267 -11.3329 -144.982 PRESSAVG: 2410800 -3.70688 -19.8686 -16.7872 -19.8687 -28.5382 0.349803 -16.7872 0.349829 -0.487115 GPRESSAVG: 2410800 -4.56455 -18.4423 -17.4049 -21.5731 -29.1269 -0.406176 -19.2955 1.10413 0.808712 TIMING: 2410800 CPU: 7531.13, 0.00309814/step Wall: 7531.13, 0.00309814/step, 2.22825 hours remaining, 234.253906 MB of memory in use. ENERGY: 2410800 4036.3479 20579.9147 14443.1746 250.3820 -203409.6087 2819.6211 0.0000 0.0000 51855.1101 -109425.0583 298.0120 -161280.1684 -109073.9073 298.9247 -83.9012 -56.1424 761647.3979 -10.9107 -10.9609 PRESSURE: 2411000 222.449 -174.505 31.4092 -174.505 -146.859 -96.1804 31.4104 -96.1809 -132.139 GPRESSURE: 2411000 295.675 -245.674 66.4652 -194.028 -75.8439 -72.2885 77.3805 -142.655 -173.943 PRESSAVG: 2411000 -25.6171 -20.9871 -5.58048 -20.9871 25.1019 -3.91116 -5.58057 -3.91121 -9.59938 GPRESSAVG: 2411000 -25.1209 -23.0422 -6.18206 -20.1002 24.4203 -2.08403 -3.29093 -2.98044 -9.74796 TIMING: 2411000 CPU: 7531.76, 0.00311518/step Wall: 7531.76, 0.00311518/step, 2.24034 hours remaining, 234.253906 MB of memory in use. ENERGY: 2411000 3970.7409 20573.3358 14427.0538 224.6105 -203784.9888 2916.3199 0.0000 0.0000 52066.0791 -109606.8488 299.2245 -161672.9280 -109242.0933 298.4762 -18.8497 15.2958 762111.9770 -3.3715 -3.4828 PRESSURE: 2411200 -173.565 -19.2674 40.8395 -19.267 2.87268 121.526 40.8401 121.526 210.956 GPRESSURE: 2411200 -187.553 -76.8572 32.3603 105.307 78.392 -4.30251 -41.1875 91.3856 218.765 PRESSAVG: 2411200 -21.6036 -36.4402 61.4496 -36.4403 51.3689 -5.36638 61.4496 -5.36636 10.085 GPRESSAVG: 2411200 -21.1832 -35.4936 62.7596 -37.4775 50.9101 -6.29034 59.5943 -7.98418 9.59805 TIMING: 2411200 CPU: 7532.38, 0.00310446/step Wall: 7532.38, 0.00310446/step, 2.23245 hours remaining, 234.253906 MB of memory in use. ENERGY: 2411200 4048.1883 20497.3003 14454.9523 245.0374 -203103.0991 2591.1717 0.0000 0.0000 51881.1184 -109385.3308 298.1615 -161266.4492 -109024.6393 298.5789 13.4212 36.5345 763432.9093 13.2834 13.1083 PRESSURE: 2411400 -154.15 63.1113 -49.1706 63.1113 67.9557 40.8674 -49.171 40.867 -89.3809 GPRESSURE: 2411400 -108.142 30.8207 19.4503 53.2316 125.448 73.96 -98.8465 -9.21852 -128.159 PRESSAVG: 2411400 8.45269 -72.737 -9.49078 -72.7369 -11.4369 -7.72104 -9.49083 -7.72105 0.162337 GPRESSAVG: 2411400 7.41502 -74.1784 -8.78282 -68.8532 -10.4322 -6.3758 -9.66192 -7.9185 0.0471617 TIMING: 2411400 CPU: 7533, 0.00310492/step Wall: 7533, 0.00310492/step, 2.23261 hours remaining, 234.253906 MB of memory in use. ENERGY: 2411400 3945.4047 20365.4853 14439.2973 254.0245 -203059.8220 2596.6836 0.0000 0.0000 51774.3439 -109684.5829 297.5479 -161458.9268 -109318.3760 298.4692 -58.5251 -36.9509 762590.0037 -0.9406 -0.9900 PRESSURE: 2411600 44.7898 151.018 -93.0591 151.017 6.18765 -118.547 -93.0593 -118.547 -240.753 GPRESSURE: 2411600 -4.40223 212.038 -67.3373 187.134 126.971 -155.076 -70.6066 -95.3911 -231.314 PRESSAVG: 2411600 28.0717 -38.5428 6.8947 -38.5429 16.2177 -11.4956 6.89467 -11.4956 14.5619 GPRESSAVG: 2411600 27.7047 -36.5186 7.601 -40.6276 17.1707 -13.005 8.166 -10.3689 14.2864 TIMING: 2411600 CPU: 7533.62, 0.00310722/step Wall: 7533.62, 0.00310722/step, 2.23409 hours remaining, 234.253906 MB of memory in use. ENERGY: 2411600 3954.2549 20463.0920 14510.4591 243.9409 -203470.3943 2645.3298 0.0000 0.0000 51925.2706 -109728.0470 298.4152 -161653.3176 -109359.1515 298.1833 -63.2586 -36.2485 762235.1085 19.6171 19.7206 PRESSURE: 2411800 14.0837 -107.788 -60.8439 -107.789 99.798 -52.1714 -60.8441 -52.1712 -59.496 GPRESSURE: 2411800 97.3741 -9.22145 -49.0351 -76.9282 54.2168 -65.0951 84.3257 -72.5427 -15.5305 PRESSAVG: 2411800 44.489 52.1041 -30.2145 52.1041 -23.3557 8.67726 -30.2145 8.67726 3.10623 GPRESSAVG: 2411800 46.0405 52.2616 -30.9242 52.2503 -24.9902 10.4369 -30.3762 8.01645 2.898 TIMING: 2411800 CPU: 7534.24, 0.00310898/step Wall: 7534.24, 0.00310898/step, 2.23519 hours remaining, 234.253906 MB of memory in use. ENERGY: 2411800 4050.9457 20504.5680 14464.3435 213.0007 -203342.2663 2680.8343 0.0000 0.0000 51704.7065 -109723.8677 297.1477 -161428.5742 -109369.0396 298.4329 18.1285 45.3535 762922.9454 8.0798 7.9828 PRESSURE: 2412000 -129.037 124.718 -122.717 124.717 -100.918 -22.4354 -122.717 -22.4345 -247.445 GPRESSURE: 2412000 -133.253 68.2188 -126.253 140.531 -61.714 -85.4211 -56.9763 -94.361 -197.917 PRESSAVG: 2412000 11.6145 -23.0639 41.4483 -23.0639 -16.192 -10.4332 41.4483 -10.4331 -0.782287 GPRESSAVG: 2412000 10.5486 -24.885 41.7584 -24.0463 -16.5463 -11.7564 41.2078 -10.4113 0.778284 TIMING: 2412000 CPU: 7534.86, 0.00308712/step Wall: 7534.86, 0.00308712/step, 2.21929 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2412000 3960.9185 20561.4373 14454.6669 232.6104 -203726.8590 2948.5619 0.0000 0.0000 51995.7321 -109572.9318 298.8202 -161568.6639 -109209.1768 298.2146 -159.1334 -130.9614 763601.0631 -1.7866 -1.7398 PRESSURE: 2412200 -115.953 110.765 15.0441 110.765 -182.224 -131.878 15.0443 -131.876 -225.215 GPRESSURE: 2412200 -4.81485 78.2847 20.4844 80.7624 -159.473 -108.936 122.872 -158.262 -268.01 PRESSAVG: 2412200 -13.157 3.05012 81.3044 3.05015 -11.1516 -64.9282 81.3045 -64.9282 -2.74722 GPRESSAVG: 2412200 -11.0566 3.59576 79.9759 4.5125 -11.6832 -64.4912 81.279 -60.1227 -4.38322 TIMING: 2412200 CPU: 7535.48, 0.00309435/step Wall: 7535.48, 0.00309435/step, 2.22432 hours remaining, 234.253906 MB of memory in use. ENERGY: 2412200 3980.8578 20549.7052 14426.4933 252.4647 -203677.3549 2912.6946 0.0000 0.0000 52088.2238 -109466.9156 299.3517 -161555.1393 -109090.0380 298.3698 -174.4643 -144.0991 763408.9094 -9.0186 -9.0410 LDB: ============= START OF LOAD BALANCING ============== 7547.95 LDB: ============== END OF LOAD BALANCING =============== 7547.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7547.95 LDB: ============= START OF LOAD BALANCING ============== 7548.27 LDB: Largest compute 7078 load 0.030966 is 15.9% of average load 0.195072 LDB: Average compute 0.004427 is 2.3% of average load 0.195072 LDB: TIME 7548.27 LOAD: AVG 0.195072 MAX 0.214775 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.727 MB LDB: TIME 7548.27 LOAD: AVG 0.195072 MAX 0.214775 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.727 MB LDB: TIME 7548.27 LOAD: AVG 0.195072 MAX 0.214775 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.727 MB LDB: ============== END OF LOAD BALANCING =============== 7548.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7548.28 PRESSURE: 2412400 -32.4534 70.0622 20.109 70.0625 29.0207 401.851 20.1098 401.851 48.7421 GPRESSURE: 2412400 23.7063 10.0152 -34.3866 28.1254 11.3968 398.179 -151.694 291.975 90.4318 PRESSAVG: 2412400 3.24458 17.6896 56.1913 17.6896 -19.663 -21.4884 56.1913 -21.4884 11.6046 GPRESSAVG: 2412400 2.5744 17.1206 55.4089 17.7423 -18.2734 -22.6811 56.8911 -22.8785 10.9926 TIMING: 2412400 CPU: 7536.11, 0.00316501/step Wall: 7536.11, 0.00316501/step, 2.27494 hours remaining, 235.593750 MB of memory in use. ENERGY: 2412400 4031.0272 20581.4255 14449.3403 228.4718 -203679.3659 3027.1703 0.0000 0.0000 51937.0919 -109424.8389 298.4832 -161361.9308 -109070.8972 299.1556 15.1032 41.8450 762903.9239 -1.6046 -1.5688 PRESSURE: 2412600 -187.433 109.286 -61.4658 109.286 -212.223 32.3864 -61.4661 32.3867 64.6931 GPRESSURE: 2412600 -281.516 104.478 90.7724 145.526 -115.285 121.482 -27.9072 61.2638 117.126 PRESSAVG: 2412600 4.19373 44.5406 115.874 44.5406 -5.30198 -65.2239 115.874 -65.2239 5.91893 GPRESSAVG: 2412600 4.72819 45.8208 117.098 43.383 -6.69744 -62.7388 114.178 -67.3882 6.51776 TIMING: 2412600 CPU: 7536.73, 0.00310633/step Wall: 7536.73, 0.00310633/step, 2.23259 hours remaining, 235.796875 MB of memory in use. ENERGY: 2412600 3988.5084 20422.1400 14411.5268 250.9338 -203157.2238 2565.8494 0.0000 0.0000 52179.4749 -109338.7905 299.8762 -161518.2654 -108970.0488 299.3104 -111.6541 -93.2250 762237.6486 1.6036 1.5162 PRESSURE: 2412800 -17.6465 100.245 -81.9626 100.245 -216.113 -202.019 -81.9623 -202.02 37.6051 GPRESSURE: 2412800 -40.0003 97.3986 -156.702 173.72 -179.119 -185.037 52.2593 -154.311 113.459 PRESSAVG: 2412800 68.968 -29.5055 32.5586 -29.5055 -80.5865 -30.9461 32.5586 -30.9462 15.1418 GPRESSAVG: 2412800 67.4379 -30.114 32.2843 -29.2152 -78.8419 -31.6887 33.104 -29.3385 14.8451 TIMING: 2412800 CPU: 7537.35, 0.00311169/step Wall: 7537.35, 0.00311169/step, 2.23627 hours remaining, 235.796875 MB of memory in use. ENERGY: 2412800 4051.6660 20486.0281 14479.2298 251.5880 -203707.7947 2860.7967 0.0000 0.0000 52227.3061 -109351.1801 300.1510 -161578.4862 -108992.5485 298.6260 -65.3847 -35.2202 760761.1874 1.1744 1.1470 PRESSURE: 2413000 270.713 -36.7654 -30.1995 -36.7655 66.0004 -214.221 -30.1995 -214.221 51.3168 GPRESSURE: 2413000 403.301 -1.17866 -139.938 38.5482 -48.5307 -195.386 -42.6693 -47.3073 111.807 PRESSAVG: 2413000 36.2435 -25.5025 18.859 -25.5026 -3.32516 -57.6859 18.859 -57.6858 31.4196 GPRESSAVG: 2413000 36.0452 -27.2467 20.7183 -24.0055 -4.09614 -58.9953 17.7333 -57.7776 32.6608 TIMING: 2413000 CPU: 7537.98, 0.00311145/step Wall: 7537.98, 0.00311145/step, 2.23592 hours remaining, 235.796875 MB of memory in use. ENERGY: 2413000 3995.8745 20463.4436 14391.1250 249.6388 -203324.1392 2860.0303 0.0000 0.0000 52008.7727 -109355.2544 298.8951 -161364.0271 -108999.9621 298.8421 129.3433 155.5256 761161.7009 21.4460 21.5366 PRESSURE: 2413200 50.693 -106.268 -18.9143 -106.267 -246.327 -158.535 -18.9144 -158.535 -442.54 GPRESSURE: 2413200 44.877 -100.885 -29.4811 -127.736 -195.093 -304.774 -22.9725 52.3814 -412.101 PRESSAVG: 2413200 50.8336 -39.9285 -14.4599 -39.9286 -36.6749 -38.1301 -14.46 -38.1301 -6.6364 GPRESSAVG: 2413200 52.5728 -34.723 -15.0549 -42.5052 -36.7149 -36.8045 -12.4938 -37.7897 -7.95178 TIMING: 2413200 CPU: 7538.6, 0.00309641/step Wall: 7538.6, 0.00309641/step, 2.22494 hours remaining, 235.796875 MB of memory in use. ENERGY: 2413200 3968.6741 20329.9954 14416.0055 265.0042 -202822.7642 2438.0458 0.0000 0.0000 52095.5098 -109309.5294 299.3936 -161405.0392 -108942.8420 298.7287 -212.7247 -187.4389 762103.6412 2.5074 2.6354 PRESSURE: 2413400 97.5315 79.0935 116.686 79.094 -0.75425 -34.5304 116.686 -34.5313 -162.024 GPRESSURE: 2413400 179.883 202.568 155.752 44.1934 20.1601 -96.6574 196.543 -151.874 -164.928 PRESSAVG: 2413400 51.9237 -32.1987 64.3312 -32.1987 -47.9198 -20.1477 64.3312 -20.1477 -1.39279 GPRESSAVG: 2413400 51.7724 -34.7802 63.959 -31.7068 -48.326 -20.111 63.103 -22.0054 -1.01026 TIMING: 2413400 CPU: 7539.21, 0.00309037/step Wall: 7539.21, 0.00309037/step, 2.22043 hours remaining, 235.796875 MB of memory in use. ENERGY: 2413400 3887.7444 20463.9754 14508.1399 250.1838 -203439.3103 2929.8486 0.0000 0.0000 52055.6757 -109343.7426 299.1647 -161399.4183 -108986.4981 298.9797 -21.7488 11.7051 763328.5519 0.8704 0.8121 PRESSURE: 2413600 -35.2609 -111.766 -203.088 -111.765 7.33578 -184.388 -203.087 -184.389 173.505 GPRESSURE: 2413600 -46.7354 -136.651 -218.598 -188.734 92.2085 -260.719 -139.667 -210.53 182.65 PRESSAVG: 2413600 10.6575 9.88551 62.2819 9.88551 15.1883 -27.4354 62.2819 -27.4354 5.24508 GPRESSAVG: 2413600 9.77048 7.86771 61.0615 9.48756 15.6674 -28.7904 62.8852 -25.6459 5.74801 TIMING: 2413600 CPU: 7539.84, 0.00310956/step Wall: 7539.84, 0.00310956/step, 2.23405 hours remaining, 235.796875 MB of memory in use. ENERGY: 2413600 4009.3792 20396.7265 14412.3747 258.8389 -203557.9669 3002.6457 0.0000 0.0000 52179.8189 -109298.1831 299.8781 -161478.0020 -108940.5436 299.1460 48.5267 76.0411 763148.7114 10.3636 10.3953 PRESSURE: 2413800 16.371 -194.912 38.9553 -194.911 -129.368 169.111 38.955 169.109 192.947 GPRESSURE: 2413800 -30.342 -257.851 33.2406 -184.662 -14.1574 211.85 21.7776 160.175 199.473 PRESSAVG: 2413800 52.5601 -30.4553 -19.2061 -30.4553 -71.3655 -30.0645 -19.2061 -30.0645 12.2671 GPRESSAVG: 2413800 51.5007 -29.6771 -18.1113 -31.091 -70.4206 -30.0633 -20.5102 -28.0758 12.4275 TIMING: 2413800 CPU: 7540.46, 0.00310119/step Wall: 7540.46, 0.00310119/step, 2.22786 hours remaining, 235.796875 MB of memory in use. ENERGY: 2413800 3961.1391 20547.2221 14509.0726 238.9033 -203614.7575 2817.4975 0.0000 0.0000 52180.4240 -109360.4989 299.8816 -161540.9229 -109006.9198 299.2702 26.6501 51.6578 761706.5328 -2.1794 -2.1641 PRESSURE: 2414000 102.564 -150.491 85.6746 -150.491 29.8278 -16.9419 85.6746 -16.9409 330.019 GPRESSURE: 2414000 77.5965 -77.8513 106.046 -45.9839 156.458 22.3976 -22.8437 -24.5555 329.408 PRESSAVG: 2414000 24.5098 -38.2938 -52.44 -38.2938 -24.6715 -17.361 -52.44 -17.3611 -1.06362 GPRESSAVG: 2414000 24.5279 -37.4192 -52.985 -37.6993 -24.5125 -15.3022 -50.4653 -18.2442 -1.26645 TIMING: 2414000 CPU: 7541.08, 0.00310751/step Wall: 7541.08, 0.00310751/step, 2.23223 hours remaining, 235.796875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2414000 3973.2127 20233.6178 14485.5647 257.5617 -203468.9928 3033.4447 0.0000 0.0000 52173.1821 -109312.4090 299.8400 -161485.5912 -108948.2305 298.8828 154.1367 187.8208 761001.0414 -0.4084 -0.4170 PRESSURE: 2414200 170.957 25.5541 110.309 25.5549 242.729 -233.655 110.309 -233.654 304.565 GPRESSURE: 2414200 195.393 -67.9867 171.563 53.8348 340.904 -247.259 125.443 -198.142 288.091 PRESSAVG: 2414200 12.3987 4.8819 -27.5822 4.88189 -27.0198 22.2019 -27.5822 22.2019 -44.9293 GPRESSAVG: 2414200 13.6589 2.59295 -26.1245 3.92793 -28.2562 21.6891 -29.6004 20.9817 -45.1491 TIMING: 2414200 CPU: 7541.7, 0.00311022/step Wall: 7541.7, 0.00311022/step, 2.234 hours remaining, 235.796875 MB of memory in use. ENERGY: 2414200 3995.4810 20376.4230 14384.7302 254.1213 -202722.1180 2538.4456 0.0000 0.0000 51874.5808 -109298.3361 298.1239 -161172.9169 -108944.3981 298.9621 239.4169 274.7959 763915.4591 -19.8501 -19.9155 PRESSURE: 2414400 -2.74655 45.1907 -177.65 45.1899 -47.5405 92.1279 -177.65 92.129 338.524 GPRESSURE: 2414400 109.512 -34.0234 -153.892 23.8408 -23.1199 69.6711 -157.047 156.028 279.509 PRESSAVG: 2414400 -8.16656 38.3118 33.3176 38.3118 18.73 -42.2499 33.3176 -42.2498 10.0045 GPRESSAVG: 2414400 -8.95543 38.8531 32.4893 38.7032 19.1422 -45.9598 33.7097 -41.8068 9.63709 TIMING: 2414400 CPU: 7542.32, 0.00311505/step Wall: 7542.32, 0.00311505/step, 2.2373 hours remaining, 235.796875 MB of memory in use. ENERGY: 2414400 3889.4197 20427.9681 14413.4465 255.8004 -203163.2950 2746.7431 0.0000 0.0000 52118.8677 -109311.0494 299.5278 -161429.9172 -108946.8806 298.8040 96.0790 121.9673 762421.6457 6.8560 6.6080 PRESSURE: 2414600 212.461 90.2498 61.6857 90.2493 25.4334 233.361 61.6854 233.361 -87.8127 GPRESSURE: 2414600 300.768 85.1299 20.5143 59.5958 28.613 264.73 33.5147 178.491 -85.591 PRESSAVG: 2414600 -16.9591 79.1651 -35.8156 79.1652 44.7844 -6.70428 -35.8156 -6.70422 -17.5257 GPRESSAVG: 2414600 -15.8032 78.414 -37.7236 81.1702 43.9948 -3.491 -35.5743 -6.84214 -17.8376 TIMING: 2414600 CPU: 7542.94, 0.00310929/step Wall: 7542.94, 0.00310929/step, 2.23299 hours remaining, 235.796875 MB of memory in use. ENERGY: 2414600 3946.2256 20419.7184 14457.0692 259.9300 -203516.1192 2825.9462 0.0000 0.0000 52276.7918 -109330.4380 300.4354 -161607.2298 -108959.5301 299.0693 50.0272 81.2634 761742.0455 3.4332 3.4513 PRESSURE: 2414800 173.666 71.7777 279.169 71.7768 -79.9486 190.532 279.169 190.53 377.794 GPRESSURE: 2414800 151.486 60.3096 311.777 149.039 68.1006 164.032 275.012 118.877 343.078 PRESSAVG: 2414800 -77.0418 -16.0587 18.2767 -16.0587 71.759 38.7395 18.2767 38.7396 6.98235 GPRESSAVG: 2414800 -78.3487 -14.5996 20.1888 -16.66 72.0257 38.0062 17.0593 35.6253 8.32899 TIMING: 2414800 CPU: 7543.57, 0.00311214/step Wall: 7543.57, 0.00311214/step, 2.23486 hours remaining, 235.796875 MB of memory in use. ENERGY: 2414800 3934.5844 20352.4953 14462.2574 240.3168 -202806.3000 2539.0483 0.0000 0.0000 52153.0820 -109124.5158 299.7245 -161277.5978 -108762.8086 299.2541 157.1707 187.5547 763247.6665 0.5665 0.6687 PRESSURE: 2415000 -233.685 105.552 201.372 105.552 -61.0429 7.12982 201.371 7.13036 434.846 GPRESSURE: 2415000 -158.876 56.2865 237.464 124.375 -4.71276 0.147532 107.72 7.41967 379.862 PRESSAVG: 2415000 -2.60648 -23.3876 35.2941 -23.3875 8.87847 0.512919 35.2941 0.512854 18.2065 GPRESSAVG: 2415000 -1.90462 -21.0973 34.6825 -26.2941 9.52261 -0.00108401 35.6674 2.66345 16.8207 TIMING: 2415000 CPU: 7544.19, 0.00311669/step Wall: 7544.19, 0.00311669/step, 2.23796 hours remaining, 235.796875 MB of memory in use. ENERGY: 2415000 3958.4917 20344.1829 14436.0237 232.2269 -202824.3934 2662.5040 0.0000 0.0000 52216.5137 -108974.4504 300.0890 -161190.9641 -108602.8522 299.3106 46.7062 72.0913 762602.0009 8.1595 8.1462 PRESSURE: 2415200 102.251 72.8838 -74.8442 72.8839 243.583 3.52807 -74.8441 3.52805 13.4396 GPRESSURE: 2415200 183.81 111.025 -43.1615 -59.8079 211.498 34.8499 -51.2752 144.44 44.9475 PRESSAVG: 2415200 -6.29182 -17.242 11.1058 -17.242 17.8455 -10.5143 11.1058 -10.5143 -3.12538 GPRESSAVG: 2415200 -7.73618 -20.3309 11.4261 -16.671 18.4008 -11.0752 11.7037 -8.93578 -2.14645 TIMING: 2415200 CPU: 7544.81, 0.00311935/step Wall: 7544.81, 0.00311935/step, 2.23969 hours remaining, 235.796875 MB of memory in use. ENERGY: 2415200 3983.2490 20559.0830 14521.5257 253.0434 -203190.1653 2887.9209 0.0000 0.0000 51877.2785 -109108.0647 298.1394 -160985.3432 -108743.4516 299.3962 119.7577 146.7520 763650.6131 2.8094 2.8394 PRESSURE: 2415400 87.7528 -115.273 172.506 -115.274 405.804 8.68546 172.505 8.68546 90.1948 GPRESSURE: 2415400 159.94 -77.1943 198.812 -90.2006 372.868 -6.61896 12.0754 -79.6568 136.218 PRESSAVG: 2415400 -14.6531 -26.0912 106.44 -26.0913 7.17396 -89.175 106.44 -89.1749 8.99405 GPRESSAVG: 2415400 -12.1957 -23.4476 107.215 -26.2207 5.47929 -88.7346 104.266 -90.3125 7.7952 TIMING: 2415400 CPU: 7545.44, 0.00311602/step Wall: 7545.44, 0.00311602/step, 2.23713 hours remaining, 235.796875 MB of memory in use. ENERGY: 2415400 3948.8702 20494.1447 14481.7173 256.4085 -202918.5340 2832.5324 0.0000 0.0000 52009.2250 -108895.6359 298.8977 -160904.8609 -108541.4270 299.3121 194.5837 223.0086 763147.6468 0.5050 0.3596 PRESSURE: 2415600 -341.308 -21.1517 120.1 -21.1517 -263.91 256.042 120.1 256.041 277.859 GPRESSURE: 2415600 -354.637 -24.714 165.705 -23.4037 -80.99 336.61 118.057 157.413 204.826 PRESSAVG: 2415600 43.0616 -12.8748 58.1597 -12.8748 -41.3599 -8.75268 58.1597 -8.75268 0.700904 GPRESSAVG: 2415600 40.593 -15.454 55.5085 -11.0478 -40.2766 -8.0588 61.0531 -8.3827 2.11467 TIMING: 2415600 CPU: 7546.06, 0.00310068/step Wall: 7546.06, 0.00310068/step, 2.22594 hours remaining, 235.796875 MB of memory in use. ENERGY: 2415600 3944.1671 20462.0035 14512.5616 256.6767 -202793.9315 2503.9430 0.0000 0.0000 52026.9573 -109087.6224 298.9996 -161114.5797 -108729.2562 299.2189 -109.1197 -76.9337 763396.0749 0.8009 0.8103 PRESSURE: 2415800 -298.789 58.0748 12.1532 58.0756 -209.948 -54.2559 12.1535 -54.2553 158.778 GPRESSURE: 2415800 -161.883 2.70978 5.27332 154.881 -234.213 106.764 -5.86096 -11.9712 120.171 PRESSAVG: 2415800 -27.8094 -16.0095 13.7972 -16.0094 35.6816 19.5589 13.7972 19.559 -8.5627 GPRESSAVG: 2415800 -26.5157 -13.6296 16.068 -16.9694 34.4415 19.8113 11.9642 19.6192 -8.60513 TIMING: 2415800 CPU: 7546.68, 0.00310262/step Wall: 7546.68, 0.00310262/step, 2.22717 hours remaining, 235.796875 MB of memory in use. ENERGY: 2415800 4010.5548 20528.3165 14388.9607 247.2578 -202921.4218 2654.1628 0.0000 0.0000 51775.0112 -109317.1579 297.5517 -161092.1692 -108954.8354 298.4375 -116.6531 -91.9750 761769.6031 -0.2302 -0.2264 PRESSURE: 2416000 54.9305 97.0143 99.1671 97.0139 -26.6114 -107.395 99.1677 -107.395 -117.737 GPRESSURE: 2416000 22.3754 189.147 77.6985 86.8551 73.0565 -33.4528 41.5819 -30.5895 -91.8395 PRESSAVG: 2416000 -13.4848 8.49337 -8.76242 8.49339 6.70602 -5.78507 -8.76235 -5.78508 5.05492 GPRESSAVG: 2416000 -13.9717 8.8237 -9.20318 6.45995 8.34566 -5.4933 -7.68105 -4.69609 3.79775 TIMING: 2416000 CPU: 7547.3, 0.00309972/step Wall: 7547.3, 0.00309972/step, 2.22491 hours remaining, 235.796875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2416000 3949.5742 20347.1585 14366.0199 239.5724 -202973.7143 2676.1537 0.0000 0.0000 51997.1358 -109398.0998 298.8283 -161395.2355 -109025.1876 298.6550 -29.8058 1.1975 762281.0881 -0.5746 -0.6094 PRESSURE: 2416200 154.559 -102.619 -210.181 -102.618 115.518 -45.6259 -210.18 -45.6263 348.391 GPRESSURE: 2416200 130.225 -30.7705 -269.636 -31.6837 117.006 -53.9222 -198.003 -110.971 442.145 PRESSAVG: 2416200 18.1393 -42.8575 8.57621 -42.8575 -3.11772 -5.40872 8.57627 -5.40869 8.76387 GPRESSAVG: 2416200 17.4783 -44.9261 9.42315 -40.5851 -4.42836 -7.0427 7.56299 -4.29299 10.3906 TIMING: 2416200 CPU: 7547.92, 0.00308857/step Wall: 7547.92, 0.00308857/step, 2.21674 hours remaining, 235.796875 MB of memory in use. ENERGY: 2416200 3911.4530 20326.2274 14393.0202 259.8589 -203194.7570 2713.4851 0.0000 0.0000 52149.5567 -109441.1558 299.7042 -161590.7125 -109070.3354 298.3126 206.1557 229.7922 761081.0597 7.9285 7.8135 LDB: ============= START OF LOAD BALANCING ============== 7560.39 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7560.39 LDB: =============== DONE WITH MIGRATION ================ 7560.39 LDB: ============= START OF LOAD BALANCING ============== 7560.7 LDB: Largest compute 7028 load 0.029566 is 15.2% of average load 0.195144 LDB: Average compute 0.004403 is 2.3% of average load 0.195144 LDB: TIME 7560.71 LOAD: AVG 0.195144 MAX 0.219159 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.094 MB LDB: TIME 7560.71 LOAD: AVG 0.195144 MAX 0.219159 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.188 MB LDB: TIME 7560.71 LOAD: AVG 0.195144 MAX 0.216212 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.188 MB LDB: ============== END OF LOAD BALANCING =============== 7560.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7560.72 PRESSURE: 2416400 100.551 1.31342 -25.7011 1.31359 203.033 237.644 -25.7019 237.642 99.2095 GPRESSURE: 2416400 241.245 -162.189 -7.58063 24.3607 226.831 120.937 32.456 167.13 29.5275 PRESSAVG: 2416400 -4.76426 -17.7913 48.815 -17.7914 -15.0205 -0.74491 48.815 -0.744803 -20.4982 GPRESSAVG: 2416400 -3.7548 -16.7086 48.3058 -18.8283 -14.7186 -0.276497 50.3339 -3.08515 -22.1536 TIMING: 2416400 CPU: 7548.55, 0.0031694/step Wall: 7548.55, 0.0031694/step, 2.27457 hours remaining, 234.640625 MB of memory in use. ENERGY: 2416400 4014.9086 20422.2864 14495.7457 244.6717 -203150.1703 2885.9788 0.0000 0.0000 51572.1993 -109514.3797 296.3861 -161086.5791 -109161.6888 298.2159 134.2645 165.8676 762268.6772 -13.4277 -13.5423 PRESSURE: 2416600 128.748 109.843 63.7441 109.843 -53.0706 -17.0315 63.743 -17.0308 -513.53 GPRESSURE: 2416600 80.2734 130.293 102.081 29.5903 67.3633 -31.2481 63.6583 -33.3858 -476.553 PRESSAVG: 2416600 24.8563 -27.714 4.18193 -27.714 -41.733 47.3536 4.18189 47.3536 31.2118 GPRESSAVG: 2416600 24.8108 -28.2201 5.41355 -26.4464 -42.4656 48.1265 3.4316 47.2011 32.3777 TIMING: 2416600 CPU: 7549.17, 0.00311553/step Wall: 7549.17, 0.00311553/step, 2.23574 hours remaining, 234.640625 MB of memory in use. ENERGY: 2416600 4031.5499 20488.3285 14452.8856 243.8341 -203370.5830 3021.5899 0.0000 0.0000 51907.4554 -109224.9396 298.3129 -161132.3950 -108859.1531 298.4971 -145.9508 -109.6387 763159.4390 4.7783 4.9076 PRESSURE: 2416800 85.5061 75.0375 -40.3178 75.0382 -379.835 -320.294 -40.3191 -320.294 -136.4 GPRESSURE: 2416800 80.3602 131.352 -92.03 68.756 -224.006 -253.62 40.0717 -234.481 -202.017 PRESSAVG: 2416800 19.4637 22.0522 1.25926 22.0522 7.23622 30.6485 1.25933 30.6486 -6.59785 GPRESSAVG: 2416800 18.1302 22.4413 -1.47119 22.9259 8.89133 30.7441 1.1664 29.5985 -7.12864 TIMING: 2416800 CPU: 7549.79, 0.00311041/step Wall: 7549.79, 0.00311041/step, 2.23189 hours remaining, 234.640625 MB of memory in use. ENERGY: 2416800 3967.2395 20610.5280 14380.9779 231.7319 -203218.5043 2731.0312 0.0000 0.0000 52073.5156 -109223.4802 299.2672 -161296.9959 -108856.3689 299.3874 -143.5762 -115.2209 762299.8169 6.7007 6.6309 PRESSURE: 2417000 -58.2639 -137.604 -47.1046 -137.603 -280.451 33.8004 -47.1055 33.7998 -118.756 GPRESSURE: 2417000 -26.4439 -227.575 -2.45815 -1.4656 -282.278 18.7919 41.1907 -41.1822 -81.5273 PRESSAVG: 2417000 -6.99787 -20.7597 -34.2248 -20.7597 29.9257 50.9823 -34.2247 50.9823 -4.08185 GPRESSAVG: 2417000 -5.33507 -21.3183 -32.703 -21.1868 28.5952 51.874 -32.4605 53.9307 -4.64419 TIMING: 2417000 CPU: 7550.42, 0.00310935/step Wall: 7550.42, 0.00310935/step, 2.23096 hours remaining, 234.640625 MB of memory in use. ENERGY: 2417000 4041.1363 20582.4152 14496.1927 239.0691 -203032.6311 2487.0704 0.0000 0.0000 51834.3543 -109352.3929 297.8927 -161186.7473 -108991.9071 299.2891 -152.4903 -130.0831 761173.1129 6.2820 6.2053 PRESSURE: 2417200 -322.82 -4.8502 144.772 -4.8494 -486.888 44.8524 144.772 44.8527 -259.524 GPRESSURE: 2417200 -382.804 -14.1864 244.085 -71.0035 -364.503 26.5095 56.3035 22.3124 -269.315 PRESSAVG: 2417200 -22.1623 -21.3883 -26.6636 -21.3883 -6.56608 -5.53252 -26.6636 -5.5325 -20.7715 GPRESSAVG: 2417200 -23.6017 -22.6039 -26.3225 -21.2153 -5.97326 -6.85734 -27.3205 -6.26746 -20.21 TIMING: 2417200 CPU: 7551.03, 0.00309261/step Wall: 7551.03, 0.00309261/step, 2.21877 hours remaining, 234.640625 MB of memory in use. ENERGY: 2417200 4061.1862 20503.5280 14426.8584 242.8482 -203135.8658 2722.7072 0.0000 0.0000 51837.2029 -109341.5350 297.9091 -161178.7378 -108977.0411 298.4589 -356.4104 -338.8740 763744.6965 -16.5000 -16.5950 PRESSURE: 2417400 -134.448 -156.239 -26.5056 -156.24 248.562 -90.5958 -26.5068 -90.5966 -92.1283 GPRESSURE: 2417400 -51.6005 -156.648 40.2289 -26.4635 239.592 -32.1388 -12.8557 -6.37155 -56.7448 PRESSAVG: 2417400 -5.26618 -24.9367 -20.3874 -24.9367 12.6886 10.548 -20.3873 10.548 -2.21542 GPRESSAVG: 2417400 -5.46691 -25.0298 -20.2295 -25.8762 13.5361 12.5665 -23.2485 9.36399 -2.33078 TIMING: 2417400 CPU: 7551.65, 0.0030896/step Wall: 7551.65, 0.0030896/step, 2.21644 hours remaining, 234.640625 MB of memory in use. ENERGY: 2417400 3997.3514 20394.6756 14384.3091 237.6556 -202990.3269 2769.5317 0.0000 0.0000 51669.3940 -109537.4096 296.9447 -161206.8036 -109179.3105 298.6079 7.3287 43.7490 761046.4263 1.7357 1.9128 PRESSURE: 2417600 -17.1571 -75.3453 -102.395 -75.3453 -6.3554 8.66962 -102.394 8.66993 247.476 GPRESSURE: 2417600 64.6024 -29.9229 -73.5724 -26.2663 -4.26064 2.2377 -186.02 169.021 257.517 PRESSAVG: 2417600 -33.8449 -29.5554 -27.3581 -29.5554 -5.20273 26.4648 -27.3581 26.4647 14.0282 GPRESSAVG: 2417600 -32.8059 -27.0248 -27.891 -31.5756 -6.71055 24.8298 -24.081 28.1586 14.3426 TIMING: 2417600 CPU: 7552.27, 0.00308589/step Wall: 7552.27, 0.00308589/step, 2.21361 hours remaining, 234.640625 MB of memory in use. ENERGY: 2417600 4010.7626 20382.0371 14378.0785 262.9833 -203225.9284 2623.0833 0.0000 0.0000 51758.6844 -109810.2990 297.4579 -161568.9834 -109458.9606 297.4911 74.6544 105.9528 761020.8627 -8.3398 -8.3913 PRESSURE: 2417800 -345.068 -337.997 -208.31 -337.996 -351.073 -64.4109 -208.311 -64.4117 385.788 GPRESSURE: 2417800 -323.017 -322.221 -231.129 -237.023 -304.134 -12.7692 -252.465 -33.3595 407.287 PRESSAVG: 2417800 29.1444 0.320433 -41.9689 0.320448 -12.7961 31.6268 -41.9688 31.6268 17.2194 GPRESSAVG: 2417800 29.3478 0.889038 -41.0919 1.94707 -11.9821 32.7194 -44.1524 29.7065 15.8986 TIMING: 2417800 CPU: 7552.89, 0.00309087/step Wall: 7552.89, 0.00309087/step, 2.21701 hours remaining, 234.640625 MB of memory in use. ENERGY: 2417800 3936.0603 20438.0452 14397.3707 236.3756 -203493.0878 2889.7728 0.0000 0.0000 51817.4533 -109778.0099 297.7956 -161595.4632 -109411.5726 297.7842 -103.4509 -73.2882 764039.9137 11.1892 11.0881 PRESSURE: 2418000 -89.4481 80.9459 209.748 80.9456 -247.967 -88.9864 209.749 -88.9862 -139.687 GPRESSURE: 2418000 -62.5286 62.4673 234.737 76.2773 -237.321 -103.501 171.709 -78.7187 -87.4054 PRESSAVG: 2418000 -45.8082 10.8441 -20.7661 10.8441 75.8256 -4.49978 -20.7661 -4.49989 15.5656 GPRESSAVG: 2418000 -45.2337 9.01502 -22.0071 11.3965 75.2219 -4.04049 -19.0946 -3.30905 16.1093 TIMING: 2418000 CPU: 7553.51, 0.00310025/step Wall: 7553.51, 0.00310026/step, 2.22357 hours remaining, 234.640625 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: 2418000 3989.1671 20480.3236 14458.7693 266.6110 -203099.0718 2671.1136 0.0000 0.0000 51832.6167 -109400.4705 297.8828 -161233.0872 -109051.3143 297.7747 -159.0339 -129.0852 764135.5018 15.1943 15.3658 PRESSURE: 2418200 -48.186 -81.7925 -189.487 -81.7907 267.711 73.5868 -189.486 73.5866 51.381 GPRESSURE: 2418200 -43.3007 -104.536 -151.164 -155.851 319.826 109.902 -144.922 -83.7885 96.4914 PRESSAVG: 2418200 -44.7037 -8.68342 -35.8342 -8.68348 19.7575 -11.8083 -35.8341 -11.8083 -4.02034 GPRESSAVG: 2418200 -46.7129 -11.0888 -35.1413 -9.14443 19.737 -13.2357 -36.1139 -13.5758 -2.36773 TIMING: 2418200 CPU: 7554.13, 0.00308956/step Wall: 7554.13, 0.00308956/step, 2.21573 hours remaining, 234.640625 MB of memory in use. ENERGY: 2418200 3923.9225 20407.6365 14424.4378 230.0224 -203223.5578 2767.8954 0.0000 0.0000 51933.8677 -109535.7756 298.4647 -161469.6433 -109163.2778 298.6907 90.3019 124.3390 762896.4830 -9.6555 -9.7812 PRESSURE: 2418400 -14.7103 -45.9191 -123.341 -45.9198 -159.852 154.445 -123.34 154.445 -262.833 GPRESSURE: 2418400 -31.7208 51.901 -176.732 -44.6802 -108.997 97.0516 -108.615 234.966 -198.978 PRESSAVG: 2418400 -3.29361 -28.3112 29.7969 -28.3113 11.0166 2.37487 29.7969 2.37484 9.66147 GPRESSAVG: 2418400 -1.63669 -26.0655 31.1913 -27.7736 10.8115 2.62132 30.5509 1.73159 8.2444 TIMING: 2418400 CPU: 7554.75, 0.0030978/step Wall: 7554.75, 0.0030978/step, 2.22147 hours remaining, 234.640625 MB of memory in use. ENERGY: 2418400 3870.9552 20364.8503 14359.6822 267.0239 -203030.6283 2549.0766 0.0000 0.0000 52174.6125 -109444.4276 299.8482 -161619.0401 -109089.1724 298.5568 -145.7984 -113.2318 762233.7791 5.7948 5.8064 PRESSURE: 2418600 -173.095 -82.8049 -61.1638 -82.8058 -287.359 26.2202 -61.1648 26.2201 357.059 GPRESSURE: 2418600 -152.446 -107.146 -56.4036 -142.577 -183.985 -45.5434 -78.1637 -26.3048 322.871 PRESSAVG: 2418600 47.491 -35.922 -13.8837 -35.922 -31.3394 -11.5617 -13.8836 -11.5617 -2.46879 GPRESSAVG: 2418600 46.1543 -35.4325 -14.9322 -36.9513 -30.7767 -11.7273 -14.9631 -8.21554 -1.04823 TIMING: 2418600 CPU: 7555.36, 0.00309084/step Wall: 7555.36, 0.00309084/step, 2.2163 hours remaining, 234.640625 MB of memory in use. ENERGY: 2418600 3970.8835 20422.3421 14446.0736 241.4434 -202532.4968 2328.6791 0.0000 0.0000 51957.3669 -109165.7083 298.5997 -161123.0752 -108809.5003 299.3634 -34.4649 -4.5202 762425.2250 4.5610 4.7765 PRESSURE: 2418800 76.4519 185.687 236.152 185.689 245.066 -145.786 236.152 -145.787 -188.024 GPRESSURE: 2418800 19.362 208.402 315.105 74.6984 324.359 -126.402 254.056 -112.155 -141.41 PRESSAVG: 2418800 33.0826 1.11178 -48.4964 1.11175 -39.35 -44.4394 -48.4965 -44.4394 27.2354 GPRESSAVG: 2418800 33.3648 1.55036 -47.4312 1.30553 -38.9811 -44.4594 -50.1085 -45.9379 26.1361 TIMING: 2418800 CPU: 7555.98, 0.00309862/step Wall: 7555.98, 0.00309862/step, 2.22171 hours remaining, 234.640625 MB of memory in use. ENERGY: 2418800 3951.8002 20444.0515 14386.9419 244.5339 -203115.2179 2818.4312 0.0000 0.0000 52056.7735 -109212.6857 299.1710 -161269.4592 -108844.1264 299.5114 44.4978 67.4373 762625.6626 6.9893 6.8399 PRESSURE: 2419000 -102.088 151.06 44.0425 151.06 -248.553 -129.591 44.0428 -129.592 -207.083 GPRESSURE: 2419000 -136.377 74.4556 95.0362 149.697 -202.434 -84.8834 91.8769 -9.50639 -124.145 PRESSAVG: 2419000 1.78618 25.9256 -2.88714 25.9257 1.60486 -12.0881 -2.88707 -12.0881 -19.7669 GPRESSAVG: 2419000 2.46987 26.1372 -4.34969 25.0599 1.41553 -12.2619 -0.750328 -11.1333 -19.6614 TIMING: 2419000 CPU: 7556.6, 0.003092/step Wall: 7556.6, 0.003092/step, 2.21679 hours remaining, 234.640625 MB of memory in use. ENERGY: 2419000 3952.6213 20565.2955 14408.0322 245.7612 -203263.2388 2787.7336 0.0000 0.0000 52186.9793 -109116.8157 299.9193 -161303.7951 -108758.7570 299.3629 -185.9078 -154.3186 761727.9549 -5.4586 -5.2587 PRESSURE: 2419200 318.421 256.744 -31.1403 256.744 137.752 -5.03438 -31.1403 -5.03538 -242.122 GPRESSURE: 2419200 255.383 272.92 30.0764 219.979 278.547 -107.889 -200.011 53.1993 -233.911 PRESSAVG: 2419200 52.6181 13.6047 -10.5783 13.6047 -9.18445 -83.9158 -10.5782 -83.9157 -3.90106 GPRESSAVG: 2419200 52.7967 15.5866 -9.07759 14.8982 -9.21145 -84.3742 -12.7072 -84.0086 -4.08891 TIMING: 2419200 CPU: 7557.22, 0.0030989/step Wall: 7557.22, 0.0030989/step, 2.22156 hours remaining, 234.640625 MB of memory in use. ENERGY: 2419200 3977.4021 20623.7088 14422.8820 239.6620 -203180.4116 2686.4588 0.0000 0.0000 52214.0276 -109016.2703 300.0747 -161230.2979 -108652.5799 300.0293 71.3506 100.0064 762302.5698 13.1775 13.1654 PRESSURE: 2419400 -270.503 180.704 89.7115 180.705 -87.3255 -103.816 89.7113 -103.816 10.8058 GPRESSURE: 2419400 -194.952 73.5624 126.79 120.951 -33.55 -124.484 262.499 -74.0061 -23.9924 PRESSAVG: 2419400 8.09044 68.6033 -21.0672 68.6033 -50.8804 -51.3991 -21.0673 -51.3991 9.4409 GPRESSAVG: 2419400 7.41777 66.4555 -22.1261 67.536 -51.0843 -50.5349 -19.5146 -50.0434 9.98326 TIMING: 2419400 CPU: 7557.84, 0.00308969/step Wall: 7557.84, 0.00308969/step, 2.21479 hours remaining, 234.640625 MB of memory in use. ENERGY: 2419400 3982.4897 20588.7742 14416.4565 259.9941 -203085.5058 2583.0487 0.0000 0.0000 52056.5335 -109198.2090 299.1696 -161254.7425 -108851.2712 299.6842 -115.6741 -84.1647 761877.4245 -11.1164 -11.2277 PRESSURE: 2419600 -166.162 232.094 92.5092 232.094 -119.528 107.266 92.5092 107.265 -31.5381 GPRESSURE: 2419600 -41.0454 176.719 -46.8017 257.677 -196.436 150.761 168.375 66.0133 -6.82853 PRESSAVG: 2419600 45.1663 24.3251 17.1334 24.3251 -17.1006 -17.6571 17.1334 -17.6571 15.453 GPRESSAVG: 2419600 46.5248 23.9709 16.8885 25.9416 -16.1769 -15.6719 14.9933 -18.7613 14.025 TIMING: 2419600 CPU: 7558.46, 0.0031056/step Wall: 7558.46, 0.0031056/step, 2.22603 hours remaining, 234.640625 MB of memory in use. ENERGY: 2419600 3916.8890 20424.0151 14424.3074 253.8873 -203007.2301 2556.4430 0.0000 0.0000 51942.1827 -109489.5057 298.5124 -161431.6884 -109126.2908 299.3713 -105.7428 -81.4367 762085.0301 14.5062 14.7910 PRESSURE: 2419800 198.006 81.5989 -99.9778 81.5969 42.6701 87.3619 -99.9774 87.3616 32.1233 GPRESSURE: 2419800 212.78 97.0542 -92.4514 66.85 83.9029 29.9132 -82.9255 184.072 58.4423 PRESSAVG: 2419800 23.062 10.7398 -30.9946 10.7397 2.21147 1.1096 -30.9946 1.10958 14.8454 GPRESSAVG: 2419800 21.7318 12.7101 -30.5896 10.5175 1.71935 -2.7481 -28.8174 1.91529 17.0363 TIMING: 2419800 CPU: 7559.08, 0.00309767/step Wall: 7559.08, 0.00309767/step, 2.22017 hours remaining, 234.640625 MB of memory in use. ENERGY: 2419800 3944.3354 20461.0809 14350.6516 250.2412 -203137.7000 2797.7911 0.0000 0.0000 51473.7569 -109859.8428 295.8204 -161333.5998 -109501.3800 298.0819 90.9332 118.3750 763676.5462 13.3729 13.4958 PRESSURE: 2420000 -80.9518 180.357 179.187 180.357 22.339 42.4685 179.186 42.469 245.231 GPRESSURE: 2420000 -78.3846 5.83908 166.68 306.789 95.8628 35.411 206.167 58.9487 260.532 PRESSAVG: 2420000 -20.3283 11.4924 -35.8232 11.4925 -8.13042 -27.531 -35.8232 -27.531 4.10084 GPRESSAVG: 2420000 -19.8225 10.0121 -35.3972 11.8411 -7.44562 -25.5739 -37.6307 -27.903 2.68425 TIMING: 2420000 CPU: 7559.7, 0.00309235/step Wall: 7559.7, 0.00309235/step, 2.21618 hours remaining, 234.640625 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: 2420000 3829.1328 20503.9070 14368.2274 247.8588 -203305.4315 2673.6726 0.0000 0.0000 51900.1578 -109782.4751 298.2709 -161682.6329 -109422.8014 297.5031 62.2060 92.6701 763289.8169 -8.1193 -8.1946 PRESSURE: 2420200 51.3151 124.597 -199.859 124.596 289.373 -185.84 -199.859 -185.84 27.0292 GPRESSURE: 2420200 100.576 62.5639 -201.096 163.343 284.382 -95.8304 -162.23 -300.857 58.5639 PRESSAVG: 2420200 -37.5744 35.4367 -48.6384 35.4367 34.0184 -12.8312 -48.6384 -12.8312 0.382071 GPRESSAVG: 2420200 -37.3983 33.8666 -46.8169 36.108 33.4958 -12.5076 -49.6149 -15.0246 0.249461 TIMING: 2420200 CPU: 7560.32, 0.0030956/step Wall: 7560.32, 0.0030956/step, 2.21834 hours remaining, 234.640625 MB of memory in use. ENERGY: 2420200 3986.7978 20402.2701 14337.1149 252.9247 -203602.5405 2845.0131 0.0000 0.0000 52072.3135 -109706.1065 299.2603 -161778.4200 -109348.1372 298.1041 122.5724 147.8406 762106.5212 -1.0580 -1.2177 LDB: ============= START OF LOAD BALANCING ============== 7572.79 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7572.8 LDB: =============== DONE WITH MIGRATION ================ 7572.8 LDB: ============= START OF LOAD BALANCING ============== 7573.11 LDB: Largest compute 7031 load 0.030941 is 15.8% of average load 0.195245 LDB: Average compute 0.004378 is 2.2% of average load 0.195245 LDB: TIME 7573.11 LOAD: AVG 0.195245 MAX 0.218752 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.23 MB LDB: TIME 7573.11 LOAD: AVG 0.195245 MAX 0.218752 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.23 MB LDB: TIME 7573.11 LOAD: AVG 0.195245 MAX 0.213695 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.23 MB LDB: ============== END OF LOAD BALANCING =============== 7573.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7573.12 PRESSURE: 2420400 -171.249 167.657 -123.63 167.656 -314.505 -37.7459 -123.629 -37.7457 -299.611 GPRESSURE: 2420400 -180.121 189.895 -123.047 195.588 -285.211 -29.2874 -197.745 -144.691 -270.757 PRESSAVG: 2420400 2.943 -2.1884 -39.6623 -2.18837 -41.1794 -25.3688 -39.6622 -25.3688 -0.903348 GPRESSAVG: 2420400 3.53993 -2.14354 -41.3804 -3.48096 -42.2932 -25.0963 -37.8781 -25.1569 -1.05888 TIMING: 2420400 CPU: 7560.95, 0.00316798/step Wall: 7560.95, 0.00316798/step, 2.27004 hours remaining, 234.511719 MB of memory in use. ENERGY: 2420400 4019.2701 20621.0727 14475.5903 259.5712 -202755.3509 2191.7981 0.0000 0.0000 51660.0759 -109527.9725 296.8912 -161188.0484 -109164.7734 297.9937 -261.7882 -245.3629 763199.8146 -13.0466 -13.2707 PRESSURE: 2420600 -562.286 -65.564 -26.303 -65.5633 20.3885 18.8764 -26.3038 18.8757 -218.564 GPRESSURE: 2420600 -441.32 -76.3315 14.3397 -145.647 -3.50253 -46.5486 -161.087 211.791 -228.326 PRESSAVG: 2420600 88.3883 33.1553 -19.0479 33.1553 -44.621 1.81277 -19.0479 1.81273 8.23518 GPRESSAVG: 2420600 88.7696 35.3614 -19.3364 31.9025 -44.6165 -0.795689 -19.6509 3.61734 8.18028 TIMING: 2420600 CPU: 7561.57, 0.0031067/step Wall: 7561.57, 0.0031067/step, 2.22595 hours remaining, 234.511719 MB of memory in use. ENERGY: 2420600 4051.3978 20555.7826 14407.4980 251.9381 -203820.6054 2787.8463 0.0000 0.0000 52086.5797 -109679.5629 299.3423 -161766.1425 -109317.2867 298.0936 -253.4872 -224.3828 763144.0261 17.3342 17.4445 PRESSURE: 2420800 -189.732 -104.827 66.522 -104.827 -218.331 236.197 66.5227 236.198 58.3237 GPRESSURE: 2420800 -156.179 -238.043 72.3951 -36.4428 -257.629 200.609 163.828 217.968 140.843 PRESSAVG: 2420800 -15.5099 37.6992 -8.4348 37.6994 -18.0594 16.5062 -8.43482 16.5063 13.4781 GPRESSAVG: 2420800 -14.8372 36.1839 -8.95641 40.0791 -18.7111 18.3197 -8.62055 14.981 13.5459 TIMING: 2420800 CPU: 7562.2, 0.00311738/step Wall: 7562.2, 0.00311738/step, 2.23343 hours remaining, 234.511719 MB of memory in use. ENERGY: 2420800 3928.4831 20542.4395 14509.6438 236.8893 -203486.0682 2822.2656 0.0000 0.0000 51716.2319 -109730.1149 297.2139 -161446.3468 -109368.7939 298.3790 -116.5796 -90.9881 762859.6547 -6.6971 -6.6675 PRESSURE: 2421000 48.7235 169.338 -114.015 169.337 -10.2865 -103.806 -114.015 -103.807 -148.714 GPRESSURE: 2421000 21.9183 200.592 -188.06 224.257 -12.9165 -124.001 -105.173 -111.86 -45.6152 PRESSAVG: 2421000 13.735 -32.1902 -7.27695 -32.1901 -21.8893 30.2962 -7.27695 30.2962 -17.4811 GPRESSAVG: 2421000 12.7724 -30.7835 -8.03326 -33.0312 -20.7601 29.3047 -4.87803 33.1083 -17.8892 TIMING: 2421000 CPU: 7562.82, 0.00312195/step Wall: 7562.82, 0.00312195/step, 2.23653 hours remaining, 234.511719 MB of memory in use. ENERGY: 2421000 3935.4875 20584.5954 14427.2649 261.7627 -203594.7698 2892.7737 0.0000 0.0000 51662.4941 -109830.3915 296.9051 -161492.8856 -109470.0771 298.0847 -36.7589 -12.2044 763916.2698 -8.5452 -8.6256 PRESSURE: 2421200 -64.8881 171.064 -35.7088 171.064 151.49 75.988 -35.7095 75.9875 -363.77 GPRESSURE: 2421200 -35.488 148.478 -41.4583 154.591 169.572 131.756 -78.1623 44.1281 -353.406 PRESSAVG: 2421200 7.49988 3.30525 -69.8806 3.30521 -3.58413 -52.3692 -69.8807 -52.3691 -2.76111 GPRESSAVG: 2421200 6.54995 2.2624 -68.8306 3.61371 -2.69787 -51.692 -70.0908 -54.107 -2.97388 TIMING: 2421200 CPU: 7563.44, 0.0031141/step Wall: 7563.44, 0.0031141/step, 2.23073 hours remaining, 234.511719 MB of memory in use. ENERGY: 2421200 4058.3476 20471.4410 14399.3525 254.5218 -203928.6852 3014.8485 0.0000 0.0000 52107.9000 -109622.2739 299.4648 -161730.1739 -109260.2663 298.3089 -92.3896 -73.1073 762558.8723 0.3849 0.2927 PRESSURE: 2421400 -102.617 -216.443 113.111 -216.443 -72.6198 230.321 113.111 230.321 185.475 GPRESSURE: 2421400 -101.315 -184.238 59.8234 -208.278 -104.318 148.675 148.809 256.796 308.624 PRESSAVG: 2421400 34.0213 48.8218 -10.7577 48.8219 -9.90468 9.22344 -10.7577 9.22345 3.16322 GPRESSAVG: 2421400 34.2825 49.8194 -10.5133 48.1554 -10.6968 8.94439 -12.6585 9.64874 4.1208 TIMING: 2421400 CPU: 7564.06, 0.00310287/step Wall: 7564.06, 0.00310287/step, 2.22252 hours remaining, 234.511719 MB of memory in use. ENERGY: 2421400 3919.5529 20477.3265 14439.0685 228.1605 -203235.2769 2703.1858 0.0000 0.0000 52004.6585 -109463.3242 298.8715 -161467.9827 -109096.6930 298.3047 3.4129 34.3303 762519.8383 9.0933 9.2355 PRESSURE: 2421600 94.4389 -182.618 -170.404 -182.619 64.3331 -47.2119 -170.405 -47.2122 101.807 GPRESSURE: 2421600 64.8995 -171.553 -138.412 -176.24 154.924 -46.0158 -78.4336 -125.999 121.509 PRESSAVG: 2421600 -13.2151 2.17056 -58.2304 2.17057 -17.9068 8.75431 -58.2304 8.75432 7.98924 GPRESSAVG: 2421600 -12.426 1.58203 -57.1553 3.16791 -17.3518 9.70054 -58.5331 5.57819 6.63384 TIMING: 2421600 CPU: 7564.69, 0.00311316/step Wall: 7564.69, 0.00311316/step, 2.22971 hours remaining, 234.511719 MB of memory in use. ENERGY: 2421600 3893.5332 20436.7955 14446.3663 221.7664 -203319.8204 2680.9349 0.0000 0.0000 52004.7325 -109635.6915 298.8719 -161640.4240 -109271.3822 298.0570 86.8598 113.7773 760876.4142 -7.7109 -7.7146 PRESSURE: 2421800 -92.2253 167.569 -124.055 167.568 -214.821 -18.6292 -124.054 -18.6294 63.1467 GPRESSURE: 2421800 -31.7987 130.947 -161.903 144.81 -185.735 -94.5469 -189.715 27.4655 51.276 PRESSAVG: 2421800 16.5528 -56.6334 -55.5534 -56.6335 -11.322 -36.1528 -55.5534 -36.1529 12.305 GPRESSAVG: 2421800 16.5994 -57.2839 -57.419 -57.2929 -11.6789 -35.5109 -56.0552 -35.0224 12.5951 TIMING: 2421800 CPU: 7565.31, 0.00311283/step Wall: 7565.31, 0.00311283/step, 2.2293 hours remaining, 234.511719 MB of memory in use. ENERGY: 2421800 3998.8017 20479.7159 14458.8997 247.4223 -203290.0113 2511.3379 0.0000 0.0000 52001.5118 -109592.3219 298.8534 -161593.8338 -109226.7536 298.2383 -81.2999 -55.4192 760971.3590 5.8453 5.8385 PRESSURE: 2422000 -357.89 -209.003 5.34216 -209.002 -171.547 -147.338 5.3414 -147.338 -134.149 GPRESSURE: 2422000 -330.041 -208.405 24.579 -229.899 -108.615 -245.235 -29.9802 -56.4533 -160.814 PRESSAVG: 2422000 -61.5917 7.69787 -55.3532 7.69782 54.4606 -30.2119 -55.3532 -30.212 9.10354 GPRESSAVG: 2422000 -61.5642 10.5387 -55.4674 7.79261 54.1155 -33.1233 -53.2119 -27.2124 9.5463 TIMING: 2422000 CPU: 7565.93, 0.00309716/step Wall: 7565.93, 0.00309716/step, 2.21791 hours remaining, 234.511719 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: 2422000 3984.5582 20361.7827 14403.5382 246.0625 -203200.3945 2577.8482 0.0000 0.0000 51861.7594 -109764.8453 298.0502 -161626.6047 -109400.6669 298.5450 -221.1951 -199.8232 761583.2900 0.6575 0.6992 PRESSURE: 2422200 -83.6212 67.8576 213.86 67.8588 -131.834 90.4324 213.86 90.433 58.8337 GPRESSURE: 2422200 -118.148 19.0705 114.487 33.0737 26.8611 95.703 163.535 29.1718 39.098 PRESSAVG: 2422200 -26.2936 -46.1324 6.565 -46.1324 73.4879 -31.1148 6.56502 -31.1149 -4.52476 GPRESSAVG: 2422200 -26.3053 -45.4774 5.14122 -47.1377 76.1983 -29.5383 6.86974 -33.0542 -6.30134 TIMING: 2422200 CPU: 7566.55, 0.00309524/step Wall: 7566.55, 0.00309524/step, 2.21636 hours remaining, 234.511719 MB of memory in use. ENERGY: 2422200 3918.8312 20300.3414 14434.8691 227.0968 -203447.8529 2779.1102 0.0000 0.0000 51933.2214 -109854.3828 298.4609 -161787.6041 -109484.8300 297.8606 -52.2073 -17.3962 760961.3377 14.2232 14.5306 PRESSURE: 2422400 -258.177 -102.049 20.9614 -102.048 -238.583 -43.8912 20.9615 -43.8911 157.666 GPRESSURE: 2422400 -258.085 12.2332 10.9457 -101.617 -215.863 -87.0308 73.8861 -69.3009 227.105 PRESSAVG: 2422400 -41.2044 27.3248 -22.5137 27.3248 1.49789 5.78799 -22.5137 5.78791 13.9628 GPRESSAVG: 2422400 -42.813 25.8312 -19.7586 29.0019 0.980912 6.02267 -24.7988 6.43022 16.0257 TIMING: 2422400 CPU: 7567.17, 0.00309598/step Wall: 7567.17, 0.00309598/step, 2.21672 hours remaining, 234.511719 MB of memory in use. ENERGY: 2422400 3925.0977 20372.1832 14434.5693 234.3479 -203271.3016 2607.3768 0.0000 0.0000 52187.7471 -109509.9795 299.9237 -161697.7267 -109138.6516 298.3965 -113.0311 -82.2811 761249.3067 -8.5812 -8.6021 PRESSURE: 2422600 193.294 -48.549 -147.44 -48.5487 217.133 98.0102 -147.441 98.0111 130.671 GPRESSURE: 2422600 263.955 -88.4624 -164.063 -157.801 143.036 17.307 -67.4914 137.514 237.078 PRESSAVG: 2422600 -4.90344 7.81435 -10.0178 7.81435 28.3532 -34.5777 -10.0178 -34.5778 -11.7207 GPRESSAVG: 2422600 -3.28873 7.37954 -10.6158 6.48867 27.6347 -35.171 -9.22366 -37.507 -12.6927 TIMING: 2422600 CPU: 7567.78, 0.00308251/step Wall: 7567.78, 0.00308251/step, 2.2069 hours remaining, 234.511719 MB of memory in use. ENERGY: 2422600 3965.9387 20405.5502 14480.2426 265.6982 -203107.3859 2603.5762 0.0000 0.0000 51958.0675 -109428.3124 298.6037 -161386.3799 -109073.6214 298.6033 180.3660 214.6895 759082.7365 3.9097 3.8844 PRESSURE: 2422800 -189.698 -217.774 224.123 -217.774 -75.8946 -98.6683 224.124 -98.6687 -136.85 GPRESSURE: 2422800 -135.604 -280.628 258.921 -187.216 -97.6897 -200.345 192.976 -56.2762 -82.2616 PRESSAVG: 2422800 -44.5985 4.35154 2.37225 4.35155 39.5395 3.79735 2.37221 3.79732 -3.9321 GPRESSAVG: 2422800 -44.5373 4.99823 2.51907 4.98844 39.1063 4.0344 2.44571 5.92221 -3.18602 TIMING: 2422800 CPU: 7568.4, 0.00308558/step Wall: 7568.4, 0.00308558/step, 2.20893 hours remaining, 234.511719 MB of memory in use. ENERGY: 2422800 3961.5857 20330.8190 14407.5601 241.7808 -202749.5721 2430.5829 0.0000 0.0000 51884.8103 -109492.4334 298.1827 -161377.2437 -109119.8597 298.2456 -134.1473 -105.1850 763198.6662 -2.9970 -2.8723 PRESSURE: 2423000 8.23584 56.7281 280.843 56.7292 73.4494 -55.9884 280.843 -55.9885 -37.5931 GPRESSURE: 2423000 22.0756 4.46594 257.11 -42.1872 126.288 -32.1472 228.932 -29.6369 -9.3949 PRESSAVG: 2423000 -51.4675 -2.60704 55.2957 -2.60702 45.5564 -74.7677 55.2956 -74.7679 -3.74062 GPRESSAVG: 2423000 -52.0349 -3.92175 54.1076 -3.72588 45.1071 -72.8189 55.8179 -76.411 -2.99911 TIMING: 2423000 CPU: 7569.02, 0.00310173/step Wall: 7569.02, 0.00310173/step, 2.22032 hours remaining, 234.511719 MB of memory in use. ENERGY: 2423000 4015.7521 20484.0478 14406.4739 239.3037 -203474.0916 2912.8278 0.0000 0.0000 52065.3145 -109350.3717 299.2201 -161415.6862 -108993.7438 298.4288 14.6974 46.3231 764330.7492 -3.2173 -3.3090 PRESSURE: 2423200 28.3701 -29.0615 37.3069 -29.0623 -239.609 -62.1367 37.3074 -62.1363 -97.8536 GPRESSURE: 2423200 18.2596 2.83806 155.069 58.4563 -136.903 -44.9191 24.2195 -89.5714 -113.66 PRESSAVG: 2423200 -63.1044 54.371 61.2576 54.371 35.0183 43.236 61.2576 43.236 15.1864 GPRESSAVG: 2423200 -62.7494 54.4091 62.4328 54.9681 36.18 41.5387 60.4265 43.1268 13.8907 TIMING: 2423200 CPU: 7569.64, 0.00310493/step Wall: 7569.64, 0.00310493/step, 2.22244 hours remaining, 234.511719 MB of memory in use. ENERGY: 2423200 3910.9530 20436.7188 14379.9098 236.0181 -202803.9955 2474.1322 0.0000 0.0000 52293.1717 -109073.0919 300.5296 -161366.2636 -108711.4711 299.0849 -103.0309 -77.4344 763951.6675 -4.2999 -4.2263 PRESSURE: 2423400 43.7291 35.9761 -157.48 35.9753 346.129 141.779 -157.481 141.779 253.451 GPRESSURE: 2423400 149.615 180.868 -68.1526 51.2412 275.389 96.2389 -216.322 217.628 284.158 PRESSAVG: 2423400 -5.78803 -12.2446 41.6066 -12.2445 5.21273 -14.3942 41.6067 -14.3943 7.63078 GPRESSAVG: 2423400 -5.70091 -11.0585 40.3315 -13.8624 5.42269 -13.0787 42.7002 -14.5521 7.4067 TIMING: 2423400 CPU: 7570.27, 0.003115/step Wall: 7570.27, 0.003115/step, 2.22948 hours remaining, 234.511719 MB of memory in use. ENERGY: 2423400 3887.8026 20552.4136 14416.4016 231.9487 -203110.1114 2676.2489 0.0000 0.0000 52331.2471 -109014.0489 300.7484 -161345.2960 -108652.8081 299.4039 214.4364 236.3870 763225.9651 2.3518 2.3762 PRESSURE: 2423600 -261.002 78.6113 -222.999 78.6113 -340.839 145.643 -222.998 145.643 257.457 GPRESSURE: 2423600 -181.677 -43.1804 -263.654 36.5152 -245.693 198.796 -86.5896 239.004 165.533 PRESSAVG: 2423600 -50.4103 -3.49631 15.1749 -3.49639 37.0875 23.7073 15.1749 23.7073 6.71586 GPRESSAVG: 2423600 -50.8876 -4.65401 14.9065 -0.480457 35.5968 21.834 16.4842 24.543 8.23942 TIMING: 2423600 CPU: 7570.88, 0.00309938/step Wall: 7570.88, 0.00309938/step, 2.21813 hours remaining, 234.511719 MB of memory in use. ENERGY: 2423600 3961.4184 20585.7072 14334.6409 216.6709 -202796.5613 2507.6450 0.0000 0.0000 52131.3666 -109059.1122 299.5997 -161190.4788 -108686.2745 299.6019 -114.7946 -87.2788 764276.8201 -2.2023 -2.3504 PRESSURE: 2423800 482.501 -6.181 24.0766 -6.18128 -70.8294 -0.560533 24.0767 -0.560438 262.19 GPRESSURE: 2423800 505.794 -22.8789 20.1857 102.639 -7.42317 17.3664 123.995 31.017 257.306 PRESSAVG: 2423800 24.4043 66.6696 -35.6449 66.6697 -43.0099 5.40945 -35.6449 5.4094 -3.42832 GPRESSAVG: 2423800 25.4437 66.6836 -34.5879 65.881 -42.4916 6.10809 -37.2422 6.55907 -4.50308 TIMING: 2423800 CPU: 7571.5, 0.00308665/step Wall: 7571.5, 0.00308665/step, 2.20884 hours remaining, 234.511719 MB of memory in use. ENERGY: 2423800 3973.3613 20548.3063 14480.5600 228.7999 -203233.0639 2794.8269 0.0000 0.0000 52244.1468 -108963.0626 300.2478 -161207.2095 -108600.8165 299.8879 224.6204 251.8922 762135.8867 -7.3446 -7.1837 PRESSURE: 2424000 8.94929 85.8329 -13.9534 85.8327 165.852 154.305 -13.9533 154.305 -59.3128 GPRESSURE: 2424000 5.55538 3.63812 -30.9928 85.0985 164.117 89.8169 -6.6105 156.111 32.6051 PRESSAVG: 2424000 60.7991 3.97601 -27.466 3.97599 -28.2575 3.53148 -27.4659 3.53143 -8.87661 GPRESSAVG: 2424000 59.947 1.8894 -29.6199 4.30687 -26.9612 4.04983 -24.7645 2.03773 -8.66233 TIMING: 2424000 CPU: 7572.12, 0.00309741/step Wall: 7572.12, 0.00309742/step, 2.21637 hours remaining, 234.511719 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: 2424000 3983.6190 20678.8615 14442.5504 278.4348 -203334.3725 2755.0716 0.0000 0.0000 52078.3886 -109117.4467 299.2952 -161195.8353 -108744.7766 299.4326 38.4961 67.4258 762529.4589 7.8884 8.1078 PRESSURE: 2424200 -126.887 29.5393 21.7313 29.5394 188.178 -41.7688 21.7315 -41.7684 167.376 GPRESSURE: 2424200 -43.708 5.86261 -23.48 63.9831 138.832 -19.1022 48.2105 -15.0471 191.294 PRESSAVG: 2424200 -2.84811 31.4695 42.3804 31.4695 11.6779 -24.1649 42.3804 -24.165 -3.67292 GPRESSAVG: 2424200 -2.55112 33.4115 44.2554 30.7184 10.547 -24.2311 40.5586 -24.6651 -2.94836 TIMING: 2424200 CPU: 7572.74, 0.00309738/step Wall: 7572.74, 0.00309738/step, 2.21617 hours remaining, 234.511719 MB of memory in use. ENERGY: 2424200 4055.4433 20571.0744 14444.3318 243.9930 -203253.2418 2535.2507 0.0000 0.0000 52144.6757 -109258.4729 299.6762 -161403.1486 -108891.0785 299.3317 76.2223 95.4727 761650.6385 1.7189 1.6825 LDB: ============= START OF LOAD BALANCING ============== 7585.22 LDB: ============== END OF LOAD BALANCING =============== 7585.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7585.22 LDB: ============= START OF LOAD BALANCING ============== 7585.53 LDB: Largest compute 7033 load 0.030896 is 15.8% of average load 0.195198 LDB: Average compute 0.004385 is 2.2% of average load 0.195198 LDB: TIME 7585.54 LOAD: AVG 0.195198 MAX 0.215406 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.023 MB LDB: TIME 7585.54 LOAD: AVG 0.195198 MAX 0.215406 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.023 MB LDB: TIME 7585.54 LOAD: AVG 0.195198 MAX 0.215406 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.023 MB LDB: ============== END OF LOAD BALANCING =============== 7585.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7585.54 PRESSURE: 2424400 -18.3335 68.8342 -20.2044 68.8342 -203.186 -55.4882 -20.2046 -55.4878 216.391 GPRESSURE: 2424400 102.148 145.252 -4.55601 24.5624 -218.779 -84.919 -133.697 -29.8668 203.269 PRESSAVG: 2424400 17.973 37.0662 10.3676 37.0662 -10.3594 -2.95112 10.3676 -2.95114 11.0813 GPRESSAVG: 2424400 18.5578 35.7131 11.384 38.0721 -10.5042 -3.80295 9.34807 -0.677046 10.9686 TIMING: 2424400 CPU: 7573.38, 0.00318275/step Wall: 7573.38, 0.00318275/step, 2.27708 hours remaining, 234.308594 MB of memory in use. ENERGY: 2424400 3981.3627 20722.4760 14379.6860 260.5350 -202976.4265 2533.6608 0.0000 0.0000 51966.3752 -109132.3307 298.6515 -161098.7059 -108773.6461 299.5158 -1.7098 28.8793 761854.2182 6.2316 6.3407 PRESSURE: 2424600 51.9799 -126.948 -41.5507 -126.948 -169.693 100.179 -41.5495 100.18 -180.685 GPRESSURE: 2424600 56.3247 -119.437 -27.1604 -58.8195 -139.961 123.298 -60.4544 132.942 -140.846 PRESSAVG: 2424600 17.0585 81.5303 5.85993 81.5302 8.5526 6.40878 5.85999 6.4088 -8.97865 GPRESSAVG: 2424600 16.6053 82.2705 5.3741 80.8567 7.9969 7.5368 5.41244 5.8932 -7.94434 TIMING: 2424600 CPU: 7574, 0.00311195/step Wall: 7574, 0.00311195/step, 2.22625 hours remaining, 234.308594 MB of memory in use. ENERGY: 2424600 4030.7452 20406.5311 14481.0087 234.6654 -202957.3108 2429.7129 0.0000 0.0000 52114.0746 -109260.5729 299.5003 -161374.6475 -108894.6157 299.4420 -99.4657 -74.8276 763190.7058 5.5442 5.5526 PRESSURE: 2424800 -83.1376 37.419 -22.5439 37.4193 26.8274 32.2847 -22.5443 32.2851 -123.438 GPRESSURE: 2424800 -67.0124 -17.9774 -46.6883 39.1352 42.8609 -75.7538 30.2158 79.6816 -79.5784 PRESSAVG: 2424800 -19.436 12.3446 27.1894 12.3446 -5.77297 8.15108 27.1894 8.15107 2.36289 GPRESSAVG: 2424800 -18.9643 11.6633 28.3837 13.1862 -4.59337 7.73851 26.9 7.57464 0.563415 TIMING: 2424800 CPU: 7574.62, 0.00310207/step Wall: 7574.62, 0.00310207/step, 2.21902 hours remaining, 234.308594 MB of memory in use. ENERGY: 2424800 3920.0162 20547.3903 14459.0865 270.3254 -203107.4545 2497.0904 0.0000 0.0000 52067.7201 -109345.8256 299.2339 -161413.5457 -108983.0231 299.3523 -59.9162 -34.5766 763775.5403 -7.6154 -7.6647 PRESSURE: 2425000 -304.42 -24.217 45.6999 -24.2163 -240.614 -229.726 45.6991 -229.725 -76.7106 GPRESSURE: 2425000 -257.724 -7.88382 -9.2178 -26.2811 -205.798 -170.168 83.4864 -276.679 -80.9021 PRESSAVG: 2425000 -22.7027 20.3813 -2.96373 20.3812 -32.6597 -14.2028 -2.96378 -14.2029 -13.9965 GPRESSAVG: 2425000 -23.062 20.4616 -4.52524 18.9399 -33.4061 -12.856 -1.61872 -15.6029 -12.805 TIMING: 2425000 CPU: 7575.24, 0.00309639/step Wall: 7575.24, 0.00309639/step, 2.21478 hours remaining, 234.308594 MB of memory in use. ENERGY: 2425000 3991.2168 20435.3953 14479.7191 260.1643 -203101.4483 2514.2142 0.0000 0.0000 51966.0387 -109454.6998 298.6495 -161420.7384 -109087.2323 298.2902 -207.2481 -181.4748 763707.7690 -23.1196 -23.0911 PRESSURE: 2425200 -84.1446 -132.007 161.718 -132.006 310.753 -147.188 161.719 -147.189 -174.165 GPRESSURE: 2425200 1.70088 -264.717 98.619 -60.3903 251.748 -242.44 103.063 -164.005 -104.946 PRESSAVG: 2425200 -41.0057 -75.9649 6.59359 -75.9649 18.4193 -69.1111 6.59352 -69.1111 -11.6299 GPRESSAVG: 2425200 -41.7017 -75.7617 7.92455 -74.9097 20.0121 -71.9712 6.44882 -66.7814 -11.8151 TIMING: 2425200 CPU: 7575.86, 0.00310945/step Wall: 7575.86, 0.00310945/step, 2.22395 hours remaining, 234.308594 MB of memory in use. ENERGY: 2425200 3921.0340 20338.7053 14402.6144 224.5042 -203079.3994 2617.2032 0.0000 0.0000 51892.8395 -109682.4987 298.2289 -161575.3382 -109323.5150 298.1604 17.4813 49.5009 764504.7654 -11.4054 -11.1682 PRESSURE: 2425400 -227.366 190.176 32.4845 190.177 -93.8556 -202.329 32.4842 -202.33 16.6492 GPRESSURE: 2425400 -142.103 127.78 91.6159 127.48 -8.75035 -165.874 -32.797 -326.313 -43.708 PRESSAVG: 2425400 -36.4884 -35.8528 10.5637 -35.8529 46.6564 -68.4953 10.5637 -68.4953 3.33451 GPRESSAVG: 2425400 -34.6566 -34.2124 9.50273 -35.8179 45.7131 -66.5946 9.71992 -68.9155 2.65018 TIMING: 2425400 CPU: 7576.48, 0.00309649/step Wall: 7576.48, 0.00309649/step, 2.21451 hours remaining, 234.308594 MB of memory in use. ENERGY: 2425400 3949.8268 20303.9297 14438.2375 253.4333 -202742.1787 2453.1681 0.0000 0.0000 51736.1895 -109607.3940 297.3286 -161343.5834 -109243.0717 298.1536 -101.5243 -64.8537 762397.7428 4.5009 4.5689 PRESSURE: 2425600 200.064 89.318 -113.192 89.3183 -81.1623 -179.536 -113.192 -179.535 11.7994 GPRESSURE: 2425600 197.66 -45.1488 -29.5289 126.107 -65.138 -163.96 -183.925 -11.3713 69.1057 PRESSAVG: 2425600 -13.8038 -0.069554 72.7525 -0.0695086 25.5657 -25.3872 72.7525 -25.3872 -1.98147 GPRESSAVG: 2425600 -14.7927 -2.83069 73.2409 -0.882756 25.0994 -25.1687 72.2473 -25.3441 -0.556279 TIMING: 2425600 CPU: 7577.1, 0.00311769/step Wall: 7577.1, 0.00311769/step, 2.2295 hours remaining, 234.308594 MB of memory in use. ENERGY: 2425600 3980.3757 20486.2221 14418.8665 244.1298 -203043.0660 2403.3613 0.0000 0.0000 52139.4714 -109370.6391 299.6463 -161510.1105 -109017.2317 298.4858 43.5669 67.2093 761584.0688 3.2601 3.2502 PRESSURE: 2425800 -54.7505 170.228 -15.9805 170.228 -66.6993 260.929 -15.98 260.929 -104.839 GPRESSURE: 2425800 -80.6862 105.784 -8.5546 131.554 -23.6641 237.423 4.60568 159.078 -20.8658 PRESSAVG: 2425800 -2.82702 23.4399 7.77705 23.4399 10.8135 -19.3973 7.77702 -19.3973 -3.78061 GPRESSAVG: 2425800 -2.3331 24.7163 6.75888 23.0166 11.0011 -18.1931 8.36595 -21.7355 -4.84494 TIMING: 2425800 CPU: 7577.73, 0.00310634/step Wall: 7577.73, 0.00310634/step, 2.22121 hours remaining, 234.308594 MB of memory in use. ENERGY: 2425800 3962.1179 20266.2395 14444.6145 239.7614 -203170.7297 2792.7738 0.0000 0.0000 51978.3391 -109486.8835 298.7202 -161465.2226 -109128.2700 298.5426 -75.4296 -41.7387 761443.0924 1.4020 1.2743 PRESSURE: 2426000 -72.4699 199.677 -16.5053 199.677 -86.0847 63.0386 -16.5058 63.038 36.0095 GPRESSURE: 2426000 -0.317036 150.335 -9.29276 107.353 7.27277 -2.36916 -103.507 -38.0622 -31.7081 PRESSAVG: 2426000 -2.8406 30.7377 41.5323 30.7377 16.5218 -39.7327 41.5323 -39.7327 -3.20252 GPRESSAVG: 2426000 -4.55937 31.1264 44.5147 29.7994 17.9267 -42.2142 41.4215 -38.9714 -3.2138 TIMING: 2426000 CPU: 7578.35, 0.00310233/step Wall: 7578.35, 0.00310233/step, 2.21817 hours remaining, 234.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2426000 3949.4173 20557.5125 14406.6896 247.0865 -202641.1142 2611.7214 0.0000 0.0000 51389.6697 -109479.0172 295.3371 -160868.6869 -109132.6022 298.2413 -40.8483 -8.2508 762655.2092 3.4929 3.3845 PRESSURE: 2426200 119.002 -204.238 81.9099 -204.237 210.801 -73.1372 81.9101 -73.1369 119.556 GPRESSURE: 2426200 210.061 -101.161 171.114 -240.104 173.84 -28.1032 -124.62 -111.524 148.749 PRESSAVG: 2426200 -8.37477 -39.6951 -7.17362 -39.6951 60.6136 -43.151 -7.1736 -43.151 33.7288 GPRESSAVG: 2426200 -5.80911 -39.6374 -9.17505 -37.5819 59.0017 -42.7979 -6.85022 -42.602 33.1541 TIMING: 2426200 CPU: 7578.97, 0.00312196/step Wall: 7578.97, 0.00312196/step, 2.23203 hours remaining, 234.308594 MB of memory in use. ENERGY: 2426200 3984.5120 20344.7651 14509.6805 260.8468 -203018.3043 2768.2322 0.0000 0.0000 51926.2737 -109223.9941 298.4210 -161150.2677 -108876.1321 298.6805 149.7865 177.5501 762010.0291 28.6559 28.7822 PRESSURE: 2426400 355.701 -148.225 -66.7771 -148.225 242.406 -2.05678 -66.7769 -2.05723 291.556 GPRESSURE: 2426400 367.066 -159.422 113.688 -105.729 204.849 7.9418 -217.272 -115.755 387.801 PRESSAVG: 2426400 -1.93446 28.5457 -28.0605 28.5458 -7.98494 26.953 -28.0605 26.953 33.192 GPRESSAVG: 2426400 -3.24409 27.4788 -26.6201 27.346 -7.01774 26.2021 -28.8995 28.3326 33.4432 TIMING: 2426400 CPU: 7579.59, 0.00311662/step Wall: 7579.59, 0.00311662/step, 2.22804 hours remaining, 234.308594 MB of memory in use. ENERGY: 2426400 3967.4868 20433.1697 14481.5713 224.2091 -202600.7599 2599.5260 0.0000 0.0000 52045.7879 -108849.0091 299.1079 -160894.7970 -108493.7945 298.9986 296.5541 319.9053 762126.7331 7.7575 7.7271 PRESSURE: 2426600 -161.414 -250.181 166.583 -250.181 -270.217 126.292 166.583 126.292 120.489 GPRESSURE: 2426600 -129.117 -285.358 91.5537 -129.736 -176.251 206.574 178.975 93.5777 73.7805 PRESSAVG: 2426600 -1.19703 -23.1873 46.9394 -23.1873 -10.2907 -11.2101 46.9394 -11.2101 7.14499 GPRESSAVG: 2426600 -0.787262 -21.1834 44.3504 -21.1773 -10.3844 -8.95482 47.5614 -14.445 6.79569 TIMING: 2426600 CPU: 7580.21, 0.00310404/step Wall: 7580.21, 0.00310404/step, 2.21887 hours remaining, 234.308594 MB of memory in use. ENERGY: 2426600 3941.5504 20528.9238 14472.2258 240.3794 -202581.7993 2397.9205 0.0000 0.0000 52347.7447 -108653.0548 300.8432 -161000.7995 -108292.9299 299.6068 -103.7140 -77.1960 764095.9856 -1.4476 -1.4586 PRESSURE: 2426800 -53.2568 84.5652 -73.729 84.5654 27.0533 -8.5478 -73.7286 -8.54726 -32.9516 GPRESSURE: 2426800 -36.2296 76.7683 -77.5063 9.74151 110.908 43.5103 -135.236 -47.9035 -61.2393 PRESSAVG: 2426800 11.8179 11.238 -8.47918 11.238 37.8378 -24.7102 -8.47917 -24.7102 -10.4245 GPRESSAVG: 2426800 9.19991 7.86296 -7.83759 9.33134 37.8736 -27.5109 -8.89573 -24.0006 -8.07787 TIMING: 2426800 CPU: 7580.84, 0.00310195/step Wall: 7580.84, 0.00310195/step, 2.2172 hours remaining, 234.308594 MB of memory in use. ENERGY: 2426800 3988.7683 20521.8372 14406.9222 258.9023 -202870.8310 2639.4722 0.0000 0.0000 52225.9065 -108829.0224 300.1430 -161054.9289 -108462.2747 299.6417 -19.7184 4.4796 763593.3156 13.0771 12.9986 PRESSURE: 2427000 63.7853 127.386 138.436 127.385 331.272 -8.23909 138.436 -8.23821 -242.353 GPRESSURE: 2427000 98.0406 75.475 183.185 131.544 324.841 33.2057 -38.3096 -51.7089 -211.554 PRESSAVG: 2427000 -75.2912 -21.7343 28.0998 -21.7343 60.6219 -6.44025 28.0998 -6.44023 -7.7574 GPRESSAVG: 2427000 -73.2399 -20.8102 28.8206 -21.196 60.7403 -2.51477 27.7178 -6.70109 -9.92603 TIMING: 2427000 CPU: 7581.46, 0.0031047/step Wall: 7581.46, 0.0031047/step, 2.21899 hours remaining, 234.308594 MB of memory in use. ENERGY: 2427000 3989.6784 20523.8191 14551.4027 261.8247 -203123.0270 2794.5650 0.0000 0.0000 51964.0346 -109037.7024 298.6380 -161001.7371 -108680.1664 299.4753 50.9015 70.4427 761538.4631 -7.4756 -7.4752 PRESSURE: 2427200 347.953 -311.418 -181.697 -311.419 -62.9851 91.2448 -181.697 91.2443 -450.364 GPRESSURE: 2427200 376.645 -284.762 -144.811 -234.43 -68.2164 128.357 -186.564 170.122 -403.019 PRESSAVG: 2427200 -20.109 -11.4812 -16.4727 -11.4812 -8.64125 -23.7487 -16.4727 -23.7487 -5.59059 GPRESSAVG: 2427200 -20.2656 -11.5829 -18.5096 -10.3294 -8.5717 -24.1234 -16.7127 -23.8877 -5.47665 TIMING: 2427200 CPU: 7582.08, 0.0031184/step Wall: 7582.08, 0.0031184/step, 2.22861 hours remaining, 234.308594 MB of memory in use. ENERGY: 2427200 3949.1814 20494.8748 14440.7383 251.9256 -202858.1498 2489.4261 0.0000 0.0000 52222.1743 -109009.8292 300.1216 -161232.0036 -108640.6244 299.3281 -55.1318 -31.5304 764332.9314 -11.4469 -11.4380 PRESSURE: 2427400 -56.7939 -96.5517 -77.3561 -96.5521 84.8945 108.564 -77.3559 108.564 283.248 GPRESSURE: 2427400 -19.5574 -161.533 -5.68701 62.1715 114.222 154.836 22.8999 43.4178 311.946 PRESSAVG: 2427400 24.7556 -31.108 6.94964 -31.108 -18.771 22.6962 6.94965 22.6963 11.8605 GPRESSAVG: 2427400 24.0241 -30.6777 7.53034 -32.016 -19.1413 20.5891 9.25452 24.8868 12.9494 TIMING: 2427400 CPU: 7582.7, 0.00309173/step Wall: 7582.7, 0.00309173/step, 2.20939 hours remaining, 234.308594 MB of memory in use. ENERGY: 2427400 3931.7605 20420.7962 14487.1061 246.7331 -203068.1245 2885.3139 0.0000 0.0000 52123.2069 -108973.2078 299.5528 -161096.4147 -108612.5427 299.8027 103.7828 135.5369 762109.2743 5.9484 5.9441 PRESSURE: 2427600 -414.244 -23.131 -230.788 -23.1315 50.431 111.89 -230.789 111.89 -87.7707 GPRESSURE: 2427600 -365.07 -131.224 -292.073 25.3056 75.0032 113.52 -184.573 66.4733 -62.3048 PRESSAVG: 2427600 -70.8017 -38.3704 -5.13781 -38.3705 95.0493 22.0095 -5.13783 22.0095 -26.6019 GPRESSAVG: 2427600 -70.4636 -39.086 -4.6629 -39.5937 95.5744 22.9633 -5.49477 19.8926 -27.237 TIMING: 2427600 CPU: 7583.32, 0.00310728/step Wall: 7583.32, 0.00310728/step, 2.22033 hours remaining, 234.308594 MB of memory in use. ENERGY: 2427600 3961.8128 20535.0618 14383.6955 225.2557 -203098.5813 2618.9469 0.0000 0.0000 52176.1613 -109197.6474 299.8571 -161373.8086 -108843.3127 299.0569 -150.5278 -117.4573 761951.3743 -0.7848 -0.7087 PRESSURE: 2427800 99.9767 -23.0855 -150.974 -23.0851 72.3807 63.3616 -150.972 63.3613 195.153 GPRESSURE: 2427800 102.037 -87.2818 -254.581 -125.534 124.32 -15.8644 -74.1105 -70.7353 216.675 PRESSAVG: 2427800 -56.3544 -27.4012 0.108782 -27.4013 79.02 -28.4267 0.108783 -28.4267 6.20026 GPRESSAVG: 2427800 -56.9489 -26.6413 -0.391424 -27.0417 80.4987 -29.1558 -0.689347 -27.0371 5.05303 TIMING: 2427800 CPU: 7583.94, 0.00308108/step Wall: 7583.94, 0.00308108/step, 2.20143 hours remaining, 234.308594 MB of memory in use. ENERGY: 2427800 4049.8929 20454.2161 14452.1784 230.3875 -203053.3810 2660.9054 0.0000 0.0000 52151.6731 -109054.1274 299.7164 -161205.8006 -108695.2950 299.4540 122.5037 147.6774 761799.3099 9.6220 9.5343 PRESSURE: 2428000 -264.355 37.7916 -38.7502 37.7917 -40.0124 -250.425 -38.7506 -250.426 -166.008 GPRESSURE: 2428000 -202.753 49.3002 70.0089 105.01 -135.378 -148.25 -58.8631 -208.661 -48.0473 PRESSAVG: 2428000 8.12576 -35.6796 -37.2043 -35.6796 3.89418 30.4441 -37.2044 30.4441 12.9283 GPRESSAVG: 2428000 8.05943 -36.2462 -36.2785 -36.7173 2.41622 30.8745 -40.013 31.0471 13.8315 TIMING: 2428000 CPU: 7584.55, 0.00309203/step Wall: 7584.55, 0.00309203/step, 2.20908 hours remaining, 234.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2428000 4022.2230 20563.2463 14463.1469 254.8709 -203310.1650 2782.8574 0.0000 0.0000 52281.8703 -108941.9502 300.4646 -161223.8205 -108589.4936 299.7032 -156.7917 -128.7262 763047.1692 8.3161 8.1024 PRESSURE: 2428200 -75.9564 -46.8875 -136.873 -46.8876 257.768 21.6404 -136.873 21.6402 16.6535 GPRESSURE: 2428200 13.3966 103.637 -51.4041 -123.364 251.299 -6.10588 -95.1434 9.3193 18.1605 PRESSAVG: 2428200 18.2038 -18.0244 11.8416 -18.0245 21.8785 17.3051 11.8416 17.3052 -26.8984 GPRESSAVG: 2428200 19.8042 -17.5808 10.5221 -17.2443 20.3553 18.3252 15.373 16.9951 -27.0427 TIMING: 2428200 CPU: 7585.17, 0.00309619/step Wall: 7585.17, 0.00309619/step, 2.21189 hours remaining, 234.308594 MB of memory in use. ENERGY: 2428200 4006.9940 20375.2209 14431.3181 263.2354 -203177.6761 2797.3459 0.0000 0.0000 52061.2840 -109242.2778 299.1969 -161303.5618 -108868.8705 299.1338 66.1549 94.2855 762439.0264 4.3946 4.3723 LDB: ============= START OF LOAD BALANCING ============== 7597.65 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7597.65 LDB: =============== DONE WITH MIGRATION ================ 7597.65 LDB: ============= START OF LOAD BALANCING ============== 7597.96 LDB: Largest compute 7031 load 0.030774 is 15.8% of average load 0.195106 LDB: Average compute 0.004383 is 2.2% of average load 0.195106 LDB: TIME 7597.96 LOAD: AVG 0.195106 MAX 0.216403 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.621 MB LDB: TIME 7597.96 LOAD: AVG 0.195106 MAX 0.216403 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.621 MB LDB: TIME 7597.96 LOAD: AVG 0.195106 MAX 0.216403 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.621 MB LDB: ============== END OF LOAD BALANCING =============== 7597.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7597.97 PRESSURE: 2428400 -426.619 53.7147 40.5068 53.714 -288.858 -73.4684 40.5066 -73.4681 -102.803 GPRESSURE: 2428400 -410.945 81.4072 42.6385 111.32 -214.217 -50.4813 27.0551 42.7361 -99.0719 PRESSAVG: 2428400 62.5007 -2.90646 35.2924 -2.90653 -69.1068 27.6597 35.2924 27.6597 4.3503 GPRESSAVG: 2428400 61.4564 -3.60958 35.453 -1.82538 -67.5018 25.8752 35.2168 28.1046 3.77532 TIMING: 2428400 CPU: 7585.81, 0.00315932/step Wall: 7585.81, 0.00315932/step, 2.2568 hours remaining, 235.851562 MB of memory in use. ENERGY: 2428400 4083.3808 20522.4833 14393.7636 251.5657 -203081.4411 2470.2512 0.0000 0.0000 52311.9444 -109048.0521 300.6375 -161359.9964 -108681.2245 299.4095 -272.7601 -241.4114 763179.9781 -0.7519 -0.7567 PRESSURE: 2428600 65.3902 76.7205 -64.5198 76.7206 -14.6754 20.9915 -64.5199 20.9922 -101.907 GPRESSURE: 2428600 140.61 29.5757 -87.2546 51.8989 -53.4738 -82.6636 -93.4793 50.5709 -61.76 PRESSAVG: 2428600 -7.3348 -40.1058 -7.5941 -40.1058 19.1062 -2.74682 -7.59408 -2.74693 -11.3117 GPRESSAVG: 2428600 -7.13598 -40.0723 -6.83989 -39.6118 17.6901 -2.7711 -8.70985 -2.15067 -9.82486 TIMING: 2428600 CPU: 7586.42, 0.00309574/step Wall: 7586.42, 0.00309574/step, 2.21122 hours remaining, 235.851562 MB of memory in use. ENERGY: 2428600 4047.4172 20715.6027 14479.6080 258.7877 -203408.2064 2899.0466 0.0000 0.0000 51876.0299 -109131.7144 298.1323 -161007.7443 -108781.3195 299.6263 -17.0641 8.4587 761579.2724 0.1532 0.2431 PRESSURE: 2428800 151.857 -33.3259 16.8072 -33.3264 23.874 -163.323 16.8077 -163.322 -94.8612 GPRESSURE: 2428800 211.538 45.5321 3.65298 -44.3581 50.8392 -27.131 8.46665 -115.156 -111.493 PRESSAVG: 2428800 10.1516 -31.5316 -57.5238 -31.5316 -17.1905 21.8154 -57.5238 21.8153 -6.73613 GPRESSAVG: 2428800 9.99168 -29.3754 -58.3706 -32.6124 -14.9451 23.8358 -56.2932 20.59 -8.58734 TIMING: 2428800 CPU: 7587.04, 0.00308846/step Wall: 7587.04, 0.00308846/step, 2.20585 hours remaining, 235.851562 MB of memory in use. ENERGY: 2428800 3989.1989 20643.7661 14415.4864 244.0246 -203565.6129 2897.2049 0.0000 0.0000 52261.1932 -109114.7388 300.3458 -161375.9321 -108758.7487 299.6376 26.9566 50.2946 761971.0186 -4.5917 -4.5136 PRESSURE: 2429000 50.978 46.7091 42.3438 46.7086 -10.879 -15.4231 42.3436 -15.4237 47.3683 GPRESSURE: 2429000 134.305 29.2843 30.3381 98.2243 -37.2972 -0.185027 49.1711 144.999 89.3207 PRESSAVG: 2429000 27.7849 22.9524 16.7264 22.9525 -17.3928 29.302 16.7264 29.302 37.5697 GPRESSAVG: 2429000 26.4479 22.9678 17.425 22.6429 -17.0719 27.08 17.5263 29.8573 39.1023 TIMING: 2429000 CPU: 7587.66, 0.00308826/step Wall: 7587.66, 0.00308826/step, 2.20553 hours remaining, 235.851562 MB of memory in use. ENERGY: 2429000 3989.8338 20634.6487 14468.3469 257.6525 -203038.7047 2612.4081 0.0000 0.0000 52198.4164 -108877.3983 299.9850 -161075.8147 -108517.9547 299.8569 29.1558 62.1094 763170.9890 15.9873 16.1594 PRESSURE: 2429200 236.013 -162.048 -21.7971 -162.049 -99.5749 255.144 -21.7963 255.144 -101.563 GPRESSURE: 2429200 298.131 -61.9352 16.2663 -228.463 -131.806 150.502 58.0696 99.6164 -36.219 PRESSAVG: 2429200 -5.82134 7.05462 -4.70802 7.05468 -29.7585 -33.2294 -4.70804 -33.2293 12.3927 GPRESSAVG: 2429200 -3.86512 4.94882 -4.8645 7.79661 -31.6243 -31.8272 -4.50811 -34.2483 12.3939 TIMING: 2429200 CPU: 7588.28, 0.00310335/step Wall: 7588.28, 0.00310335/step, 2.21614 hours remaining, 235.851562 MB of memory in use. ENERGY: 2429200 3977.6630 20562.6601 14480.9748 241.3236 -203210.3229 2879.2379 0.0000 0.0000 51983.9668 -109084.4967 298.7526 -161068.4635 -108719.9527 299.6851 11.6249 43.3686 762970.8897 -7.7290 -7.6985 PRESSURE: 2429400 219.985 118.413 -32.4587 118.413 -109.604 1.51678 -32.4588 1.51566 49.6737 GPRESSURE: 2429400 111.773 105.021 -47.0631 134.027 64.0909 -4.10529 116.351 -30.1523 86.9819 PRESSAVG: 2429400 39.4019 -9.15567 -16.7984 -9.15571 -70.9021 37.4883 -16.7984 37.4883 -14.9887 GPRESSAVG: 2429400 38.8912 -7.89063 -17.6492 -12.2255 -70.1692 35.4455 -17.1238 37.7295 -15.4804 TIMING: 2429400 CPU: 7588.9, 0.00309237/step Wall: 7588.9, 0.00309238/step, 2.20813 hours remaining, 235.851562 MB of memory in use. ENERGY: 2429400 3996.3153 20667.2577 14463.9760 250.1602 -203977.2048 3195.4535 0.0000 0.0000 52266.5818 -109137.4603 300.3768 -161404.0421 -108782.2206 299.5115 53.3516 87.6152 760900.9525 -15.4963 -15.5862 PRESSURE: 2429600 11.5225 -85.3161 -171.333 -85.3157 -161.318 -154.476 -171.333 -154.475 19.9683 GPRESSURE: 2429600 -17.198 -39.0839 -61.0881 -41.5155 -22.8654 -125.411 -128.734 -26.4359 8.16382 PRESSAVG: 2429600 13.6634 -6.9863 11.6635 -6.98638 -18.4244 49.6698 11.6636 49.6699 2.79685 GPRESSAVG: 2429600 14.422 -8.11904 14.7396 -2.99554 -18.6584 50.5774 11.894 51.4474 2.37165 TIMING: 2429600 CPU: 7589.52, 0.00310583/step Wall: 7589.52, 0.00310583/step, 2.21756 hours remaining, 235.851562 MB of memory in use. ENERGY: 2429600 3957.0081 20793.2816 14397.0913 238.7973 -203342.2527 2812.7613 0.0000 0.0000 51916.9770 -109226.3361 298.3676 -161143.3130 -108871.8600 299.6928 -43.2759 -10.6332 761764.2091 -0.6547 -0.6216 PRESSURE: 2429800 281.595 -153.111 -201.92 -153.11 -320.601 78.2659 -201.92 78.2673 101.021 GPRESSURE: 2429800 325.662 -137.002 -248.344 -176.013 -324.86 233.432 -199.11 -63.1926 116.054 PRESSAVG: 2429800 42.8473 -13.9046 10.5994 -13.9046 -31.1691 9.3945 10.5994 9.39453 0.98158 GPRESSAVG: 2429800 42.1268 -13.549 8.77348 -16.3203 -30.6873 11.9411 8.83443 7.68421 1.26976 TIMING: 2429800 CPU: 7590.14, 0.00310259/step Wall: 7590.14, 0.00310259/step, 2.21508 hours remaining, 235.851562 MB of memory in use. ENERGY: 2429800 4028.5078 20813.7158 14457.6243 224.4143 -203148.8806 2602.2501 0.0000 0.0000 51939.3107 -109083.0576 298.4959 -161022.3683 -108731.1087 299.5278 20.6715 38.9517 762742.0334 4.2199 4.2364 PRESSURE: 2430000 -129.73 -21.4319 86.757 -21.4323 131.268 116.041 86.7573 116.042 -31.9725 GPRESSURE: 2430000 -131.684 -100.771 91.9608 -45.7592 159.114 88.8654 73.534 76.2174 6.35431 PRESSAVG: 2430000 -32.5172 -17.5931 -30.2707 -17.5932 0.134013 -15.3733 -30.2707 -15.3733 -0.10793 GPRESSAVG: 2430000 -32.8497 -17.8961 -29.7414 -16.7599 0.394676 -17.128 -29.7674 -15.4254 0.160238 TIMING: 2430000 CPU: 7590.76, 0.00309828/step Wall: 7590.76, 0.00309828/step, 2.21183 hours remaining, 235.851562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2430000 4056.5677 20517.2079 14459.7175 248.1181 -203460.5273 2912.9412 0.0000 0.0000 52309.2511 -108956.7237 300.6220 -161265.9747 -108580.8280 300.0126 -10.1450 11.2613 764184.0620 -10.8304 -10.7649 PRESSURE: 2430200 40.5829 -60.9401 -155.333 -60.9401 -55.1196 -61.2368 -155.333 -61.2368 116.795 GPRESSURE: 2430200 -10.4923 -43.4723 -119.422 -136.301 63.6849 -121.125 -62.7307 -29.9552 142.199 PRESSAVG: 2430200 57.103 16.3802 50.6664 16.3802 -34.6006 6.62496 50.6664 6.62496 -0.699526 GPRESSAVG: 2430200 57.9818 16.549 51.1928 15.4385 -35.1515 6.40824 50.8021 7.53125 -0.75953 TIMING: 2430200 CPU: 7591.38, 0.00309268/step Wall: 7591.38, 0.00309268/step, 2.20766 hours remaining, 235.851562 MB of memory in use. ENERGY: 2430200 4017.0023 20539.8331 14453.7416 241.4965 -203403.3643 2795.1202 0.0000 0.0000 52264.0223 -109092.1483 300.3621 -161356.1706 -108728.1062 300.0853 34.0860 65.1304 764228.5779 7.2676 7.3569 PRESSURE: 2430400 -0.249531 -256.463 -138.443 -256.464 -95.074 66.8206 -138.443 66.8203 184.671 GPRESSURE: 2430400 13.7158 -201.251 -123.83 -303.037 21.3569 -29.0331 53.234 35.4117 145.768 PRESSAVG: 2430400 -25.9804 -19.0477 -16.0448 -19.0476 -13.564 -15.9173 -16.0448 -15.9174 4.63576 GPRESSAVG: 2430400 -27.2663 -17.965 -17.1298 -17.9177 -13.7422 -15.6218 -14.1454 -15.2719 5.73192 TIMING: 2430400 CPU: 7592, 0.00308437/step Wall: 7592, 0.00308437/step, 2.20156 hours remaining, 235.851562 MB of memory in use. ENERGY: 2430400 3963.9214 20594.6239 14384.5465 234.7982 -203533.2743 2926.8679 0.0000 0.0000 52220.8380 -109207.6785 300.1139 -161428.5164 -108843.6693 299.5380 29.7825 60.2803 763589.7039 -11.6362 -11.7588 PRESSURE: 2430600 88.397 259.65 53.2425 259.65 -194.236 -30.398 53.2437 -30.3973 114.476 GPRESSURE: 2430600 67.66 200.989 23.1979 215.527 -106.421 13.7973 50.5311 -115.736 109.859 PRESSAVG: 2430600 -12.5201 -52.5483 26.032 -52.5483 -32.8108 -3.11203 26.032 -3.11202 27.4666 GPRESSAVG: 2430600 -11.472 -55.0452 25.9761 -51.62 -33.4409 -3.53097 23.9856 -5.57603 26.5694 TIMING: 2430600 CPU: 7592.62, 0.00310067/step Wall: 7592.62, 0.00310067/step, 2.21302 hours remaining, 235.851562 MB of memory in use. ENERGY: 2430600 4010.5060 20496.6302 14408.3201 249.8575 -203411.2356 2777.8432 0.0000 0.0000 52046.5491 -109421.5295 299.1122 -161468.0786 -109050.3293 299.1539 2.8791 23.6995 763819.5551 -5.9548 -6.1145 PRESSURE: 2430800 -73.6858 50.6829 83.0482 50.6833 99.7561 -133.614 83.0481 -133.614 398.701 GPRESSURE: 2430800 -18.4243 52.3208 127.367 144.509 166.371 -140.163 4.36759 -24.8267 352.187 PRESSAVG: 2430800 17.5313 5.13773 -20.1509 5.13773 -33.89 39.3206 -20.1509 39.3206 -4.19343 GPRESSAVG: 2430800 17.2143 7.29672 -18.6722 2.48885 -33.9124 41.3498 -20.2076 41.8303 -4.57907 TIMING: 2430800 CPU: 7593.24, 0.00310178/step Wall: 7593.24, 0.00310178/step, 2.21364 hours remaining, 235.851562 MB of memory in use. ENERGY: 2430800 4000.6872 20568.7084 14413.4851 248.1657 -203492.1600 2774.3327 0.0000 0.0000 52140.2320 -109346.5488 299.6506 -161486.7808 -108985.0091 298.9640 141.5905 166.7113 763224.3753 -6.8507 -7.0924 PRESSURE: 2431000 -505.207 21.2723 -121.878 21.2731 -223.065 -175.646 -121.878 -175.646 -7.83117 GPRESSURE: 2431000 -503.273 -26.4123 -171.153 -116.467 -131.948 -153.803 -8.84964 -229.574 -10.8597 PRESSAVG: 2431000 -29.1214 80.8766 25.7093 80.8765 23.206 -16.0565 25.7093 -16.0564 15.0441 GPRESSAVG: 2431000 -29.4692 80.7805 25.5381 81.8276 23.0346 -18.0098 25.4942 -16.7617 15.8544 TIMING: 2431000 CPU: 7593.86, 0.00310018/step Wall: 7593.86, 0.00310018/step, 2.21232 hours remaining, 235.851562 MB of memory in use. ENERGY: 2431000 4002.6537 20491.6463 14454.3496 248.2774 -203287.2371 2551.9682 0.0000 0.0000 52156.3341 -109382.0078 299.7432 -161538.3419 -109022.2023 299.3362 -245.3675 -215.3601 763747.9321 3.0429 3.1399 PRESSURE: 2431200 -17.563 -111.787 -141.908 -111.787 141.522 -12.6606 -141.908 -12.662 288.717 GPRESSURE: 2431200 57.0752 -41.69 -191.114 -173.469 157.241 -66.1559 -182.227 71.7887 288.253 PRESSAVG: 2431200 -18.0748 -23.9008 -38.9683 -23.9007 -13.1521 -16.2013 -38.9682 -16.2012 -6.787 GPRESSAVG: 2431200 -17.9152 -24.9419 -40.1071 -22.7097 -13.9343 -15.1424 -38.2439 -16.6833 -6.52232 TIMING: 2431200 CPU: 7594.48, 0.00310977/step Wall: 7594.48, 0.00310977/step, 2.21899 hours remaining, 235.851562 MB of memory in use. ENERGY: 2431200 4052.1090 20550.1814 14405.1470 262.2578 -203595.7092 2845.6978 0.0000 0.0000 52293.1530 -109187.1632 300.5295 -161480.3162 -108831.6995 298.8406 137.5588 167.5230 763819.4820 -12.6713 -12.7906 PRESSURE: 2431400 -394.8 -64.9092 -300.319 -64.9085 -611.082 111.462 -300.319 111.462 -174.451 GPRESSURE: 2431400 -424.675 -8.823 -268.036 45.1987 -494.534 108.958 -239.716 143.808 -195.163 PRESSAVG: 2431400 70.7884 28.0692 -6.56497 28.0693 -53.9379 -5.20433 -6.56501 -5.20433 17.8249 GPRESSAVG: 2431400 70.305 28.4537 -7.09909 27.1084 -53.8543 -5.59291 -8.1504 -3.8534 17.7165 TIMING: 2431400 CPU: 7595.1, 0.00310182/step Wall: 7595.1, 0.00310182/step, 2.21315 hours remaining, 235.851562 MB of memory in use. ENERGY: 2431400 4050.3917 20530.4128 14478.9355 241.4583 -202851.3624 2386.8997 0.0000 0.0000 52161.6686 -109001.5959 299.7738 -161163.2644 -108644.3045 299.4206 -393.4442 -371.4572 765103.4846 11.5585 11.3890 PRESSURE: 2431600 -264.436 62.3388 228.444 62.3378 54.8668 142.928 228.444 142.927 -27.2689 GPRESSURE: 2431600 -219.525 97.9615 235.474 -51.5636 120.608 164.095 159.024 61.0816 -61.1441 PRESSAVG: 2431600 -2.83816 12.671 21.0639 12.6709 7.76617 2.08871 21.0639 2.08862 -10.35 GPRESSAVG: 2431600 -2.81962 12.6168 21.4134 14.4106 8.51004 1.6836 23.1093 1.01127 -11.5211 TIMING: 2431600 CPU: 7595.72, 0.00308359/step Wall: 7595.72, 0.00308359/step, 2.19997 hours remaining, 235.851562 MB of memory in use. ENERGY: 2431600 4010.0450 20594.0400 14432.5303 257.1358 -203164.8706 2826.5918 0.0000 0.0000 52035.6499 -109008.8777 299.0496 -161044.5276 -108644.9382 299.0435 -78.9461 -53.3535 765445.1333 -1.8073 -1.9436 PRESSURE: 2431800 -228.424 173.37 59.1629 173.369 -64.2446 -9.35364 59.1629 -9.35407 -180.229 GPRESSURE: 2431800 -204.963 130.953 13.3408 172.934 -0.690196 -19.9025 98.5533 32.7123 -192.559 PRESSAVG: 2431800 -19.4455 17.2291 9.43603 17.2291 86.6635 -5.23452 9.43606 -5.23456 -8.55991 GPRESSAVG: 2431800 -19.6659 17.574 8.99373 15.6953 84.6089 -4.57942 7.96168 -6.64466 -7.03084 TIMING: 2431800 CPU: 7596.33, 0.00308684/step Wall: 7596.33, 0.00308684/step, 2.20211 hours remaining, 235.851562 MB of memory in use. ENERGY: 2431800 4033.0708 20577.4181 14363.3836 269.6576 -202972.7480 2502.7322 0.0000 0.0000 52133.2782 -109093.2074 299.6107 -161226.4856 -108726.1745 299.6354 -157.6327 -132.7373 762334.8790 19.5527 19.3041 PRESSURE: 2432000 -44.1576 22.3308 123.548 22.331 -151.593 293.157 123.549 293.156 -86.9557 GPRESSURE: 2432000 -31.9802 49.873 114.527 12.2042 -56.2485 288.722 165.069 310.253 -122.558 PRESSAVG: 2432000 -14.4178 -9.32722 -1.32354 -9.32717 -9.59696 29.4905 -1.32351 29.4906 0.693642 GPRESSAVG: 2432000 -16.0004 -9.11689 -1.04517 -10.1264 -7.38442 29.1824 -1.58306 29.0486 0.586649 TIMING: 2432000 CPU: 7596.95, 0.00309161/step Wall: 7596.95, 0.00309161/step, 2.20535 hours remaining, 235.851562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2432000 4013.3627 20514.1863 14493.2075 235.8498 -202801.3311 2448.8198 0.0000 0.0000 51863.6435 -109232.2615 298.0611 -161095.9050 -108873.7725 299.3703 -94.2355 -70.2622 763622.5573 -7.7737 -7.5994 PRESSURE: 2432200 68.3641 -61.441 -139.571 -61.4407 -49.016 -41.273 -139.571 -41.2724 412.845 GPRESSURE: 2432200 132.44 -11.2424 -133.562 -107.086 23.6112 -38.5355 -21.7852 69.3121 348.908 PRESSAVG: 2432200 -9.33119 0.637057 -25.248 0.637054 3.66114 10.5586 -25.248 10.5586 -22.7219 GPRESSAVG: 2432200 -8.28943 -0.453171 -24.8197 2.32948 3.29604 9.28 -22.7021 13.1753 -23.0247 TIMING: 2432200 CPU: 7597.57, 0.00309989/step Wall: 7597.57, 0.00309989/step, 2.21108 hours remaining, 235.851562 MB of memory in use. ENERGY: 2432200 4018.4100 20421.4055 14478.5617 249.2925 -203219.9995 2835.0585 0.0000 0.0000 51993.7557 -109223.5157 298.8088 -161217.2713 -108861.5747 298.8025 144.0643 168.3197 762467.4798 -9.4640 -9.3394 LDB: ============= START OF LOAD BALANCING ============== 7610.05 LDB: ============== END OF LOAD BALANCING =============== 7610.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7610.05 LDB: ============= START OF LOAD BALANCING ============== 7610.36 LDB: Largest compute 7031 load 0.030080 is 15.4% of average load 0.195051 LDB: Average compute 0.004394 is 2.3% of average load 0.195051 LDB: TIME 7610.36 LOAD: AVG 0.195051 MAX 0.213945 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.148 MB LDB: TIME 7610.36 LOAD: AVG 0.195051 MAX 0.213945 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.352 MB LDB: TIME 7610.36 LOAD: AVG 0.195051 MAX 0.213945 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.352 MB LDB: ============== END OF LOAD BALANCING =============== 7610.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7610.37 PRESSURE: 2432400 127.438 -8.0911 -105.115 -8.09062 279.729 -124.455 -105.115 -124.454 -35.8453 GPRESSURE: 2432400 109.469 -50.4719 -179.38 7.98688 272.591 -44.4819 -125.676 -80.99 90.3855 PRESSAVG: 2432400 40.9907 -47.8556 -18.2077 -47.8556 -34.0044 -1.19134 -18.2077 -1.19132 20.9596 GPRESSAVG: 2432400 41.1191 -46.9366 -18.5015 -49.6086 -34.4114 -0.0239644 -20.5709 -1.85127 20.7397 TIMING: 2432400 CPU: 7598.21, 0.00317148/step Wall: 7598.21, 0.00317148/step, 2.26197 hours remaining, 234.050781 MB of memory in use. ENERGY: 2432400 3923.2306 20422.5951 14397.1047 258.7052 -203624.8511 3154.1806 0.0000 0.0000 51857.3926 -109611.6423 298.0251 -161469.0349 -109261.8463 298.5741 123.7740 157.4819 763119.1065 9.3153 9.1491 PRESSURE: 2432600 -297.363 -14.8281 23.1752 -14.8279 -139.56 222.713 23.1754 222.712 37.9981 GPRESSURE: 2432600 -235.63 28.5162 -25.4618 40.0273 -153.773 140.477 38.8762 166.116 58.1673 PRESSAVG: 2432600 -60.3904 7.99995 -8.96519 7.99995 68.0177 -1.31618 -8.96522 -1.31619 15.0938 GPRESSAVG: 2432600 -58.9635 7.14108 -10.0856 10.521 67.6012 -2.79784 -7.92064 -1.86766 13.6707 TIMING: 2432600 CPU: 7598.83, 0.00310413/step Wall: 7598.83, 0.00310413/step, 2.21376 hours remaining, 234.050781 MB of memory in use. ENERGY: 2432600 3961.7453 20321.9075 14389.2503 268.3762 -203277.0608 2748.3149 0.0000 0.0000 52210.5775 -109376.8890 300.0549 -161587.4665 -109006.0235 298.9146 -132.9748 -110.4121 764392.3890 7.5737 7.4361 PRESSURE: 2432800 -337.691 -164.429 82.5393 -164.429 -332.623 229.635 82.5395 229.637 -187.412 GPRESSURE: 2432800 -280.558 -158.625 121.595 -150.25 -299.136 201.94 94.4974 236.252 -203.991 PRESSAVG: 2432800 -70.0741 18.8407 -2.43206 18.8408 78.3912 -9.53358 -2.43204 -9.53351 28.7344 GPRESSAVG: 2432800 -71.8181 20.1686 -0.999972 16.9804 78.9938 -7.65195 -3.09847 -9.00711 29.8196 TIMING: 2432800 CPU: 7599.44, 0.00309069/step Wall: 7599.44, 0.00309069/step, 2.20401 hours remaining, 234.050781 MB of memory in use. ENERGY: 2432800 3980.7594 20586.9153 14507.0724 285.9249 -203056.7669 2602.3287 0.0000 0.0000 51930.0777 -109163.6885 298.4429 -161093.7662 -108816.6231 299.0756 -285.9086 -261.2286 764672.4119 12.3505 12.3318 PRESSURE: 2433000 147.161 -22.6123 -222.271 -22.6123 114.554 -68.114 -222.272 -68.1141 124.523 GPRESSURE: 2433000 244.653 1.97472 -208.197 -64.1957 83.0958 -74.8089 -132.162 74.4581 143.249 PRESSAVG: 2433000 -23.7494 6.03464 7.30895 6.0346 -23.1891 59.7213 7.30896 59.7213 -5.03647 GPRESSAVG: 2433000 -22.9484 5.36207 8.38503 5.92542 -24.7773 59.0829 7.09196 59.804 -3.93715 TIMING: 2433000 CPU: 7600.06, 0.00308515/step Wall: 7600.06, 0.00308515/step, 2.19988 hours remaining, 234.050781 MB of memory in use. ENERGY: 2433000 3908.3071 20585.2322 14469.0717 245.8143 -203501.9551 3078.6185 0.0000 0.0000 52056.0940 -109158.8173 299.1671 -161214.9113 -108794.2234 299.0672 128.7461 156.9994 763714.2187 -17.3250 -17.2209 PRESSURE: 2433200 441.546 17.818 231.147 17.8178 156.835 175.625 231.146 175.625 -359.42 GPRESSURE: 2433200 451.173 1.87076 132.096 -55.9066 154.816 245.502 172.317 118.57 -287.896 PRESSAVG: 2433200 6.22808 30.1513 -21.9935 30.1513 4.09612 41.9416 -21.9935 41.9416 5.83924 GPRESSAVG: 2433200 6.76318 27.5189 -24.9986 30.1868 4.03744 41.1333 -19.5552 41.6398 5.54005 TIMING: 2433200 CPU: 7600.68, 0.00307972/step Wall: 7600.68, 0.00307972/step, 2.19584 hours remaining, 234.050781 MB of memory in use. ENERGY: 2433200 3974.4239 20543.6751 14447.3158 267.7506 -203521.9948 3023.0534 0.0000 0.0000 51888.5470 -109377.2291 298.2042 -161265.7761 -109022.7864 298.9145 79.6533 106.0308 763124.0120 5.3878 5.4469 PRESSURE: 2433400 -347.825 -7.31961 -9.68688 -7.31866 -52.5186 -99.9553 -9.68717 -99.955 -355.121 GPRESSURE: 2433400 -364.439 -64.6216 -41.3717 -19.7199 -37.4156 -149.157 44.4108 -61.4995 -281.99 PRESSAVG: 2433400 -64.3641 -25.817 -8.73773 -25.817 54.5076 5.97701 -8.73763 5.97704 -23.9918 GPRESSAVG: 2433400 -65.7991 -21.3907 -7.4646 -26.5636 56.8419 4.97538 -11.7208 6.4968 -25.0013 TIMING: 2433400 CPU: 7601.3, 0.0030928/step Wall: 7601.3, 0.0030928/step, 2.205 hours remaining, 234.050781 MB of memory in use. ENERGY: 2433400 3997.5269 20502.8254 14475.4574 232.3094 -202886.6172 2385.1791 0.0000 0.0000 51992.9705 -109300.3486 298.8043 -161293.3191 -108935.7686 298.7404 -251.8218 -227.9480 763346.4019 -11.2828 -11.3195 PRESSURE: 2433600 348.194 -2.68152 295.636 -2.6823 -2.09192 146.765 295.636 146.765 -37.5787 GPRESSURE: 2433600 365.438 67.4822 304.427 -100.808 45.0356 142.936 176.694 1.17184 -27.7644 PRESSAVG: 2433600 -31.925 -10.9829 13.9867 -10.983 20.7077 12.8054 13.9868 12.8055 28.1751 GPRESSAVG: 2433600 -31.4243 -12.573 14.5873 -8.0155 20.0219 15.3039 16.587 11.5608 28.4013 TIMING: 2433600 CPU: 7601.92, 0.00309674/step Wall: 7601.92, 0.00309674/step, 2.20763 hours remaining, 234.050781 MB of memory in use. ENERGY: 2433600 4019.6302 20397.8287 14506.9407 250.9590 -203439.1474 3064.0975 0.0000 0.0000 52004.4100 -109195.2813 298.8701 -161199.6913 -108829.4540 298.9256 102.8410 127.5698 762252.8392 5.6526 5.6663 PRESSURE: 2433800 248.681 -151.947 -157.157 -151.947 -231.002 -37.6225 -157.158 -37.6222 -587.521 GPRESSURE: 2433800 257.396 -231.355 -123.869 -181.443 -240.179 -76.8311 -90.5448 -96.8227 -515.585 PRESSAVG: 2433800 31.7161 24.3021 11.221 24.3021 -36.037 28.1756 11.221 28.1756 -5.65482 GPRESSAVG: 2433800 32.0328 22.8614 10.8187 21.5061 -36.5718 26.8413 10.8245 31.2001 -5.20716 TIMING: 2433800 CPU: 7602.54, 0.00311272/step Wall: 7602.54, 0.00311272/step, 2.21885 hours remaining, 234.050781 MB of memory in use. ENERGY: 2433800 4052.2430 20537.8691 14475.9804 259.4233 -203205.6037 2795.2285 0.0000 0.0000 51836.9458 -109247.9135 297.9076 -161084.8593 -108883.9674 298.8257 -189.9474 -166.1228 762776.7169 -3.3252 -3.2487 PRESSURE: 2434000 -112.204 -137.712 5.22712 -137.712 -31.6779 -8.27499 5.22685 -8.27423 270.296 GPRESSURE: 2434000 -11.3785 -90.0704 -35.6775 -189.299 8.79371 13.376 -3.74942 58.5476 215.816 PRESSAVG: 2434000 8.94521 -86.8462 -15.2869 -86.8461 16.245 19.3611 -15.2868 19.3611 11.3215 GPRESSAVG: 2434000 8.37598 -86.6153 -14.5831 -85.0537 16.9349 19.908 -15.1614 16.0308 11.5118 TIMING: 2434000 CPU: 7603.16, 0.00310115/step Wall: 7603.16, 0.00310115/step, 2.21043 hours remaining, 234.050781 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: 2434000 4085.8790 20368.7422 14465.8674 248.8789 -203604.4719 2865.5961 0.0000 0.0000 52185.4041 -109384.1041 299.9102 -161569.5082 -109022.5968 298.3508 42.1381 71.0769 761591.4792 12.1706 12.2742 PRESSURE: 2434200 -256.636 0.841625 -38.6529 0.841249 -230.489 -149.775 -38.653 -149.776 -215.366 GPRESSURE: 2434200 -229.226 111.825 3.59454 15.3074 -192.326 -168.848 -176.683 -222.676 -190.086 PRESSAVG: 2434200 -18.0589 -33.2557 -4.75687 -33.2558 8.27403 28.2035 -4.75679 28.2035 17.392 GPRESSAVG: 2434200 -16.1882 -30.502 -6.24062 -32.6722 7.86778 26.2546 -4.63864 28.1828 16.288 TIMING: 2434200 CPU: 7603.78, 0.00310167/step Wall: 7603.78, 0.00310167/step, 2.21063 hours remaining, 234.050781 MB of memory in use. ENERGY: 2434200 4040.6653 20469.2267 14455.2640 242.8646 -202952.5451 2333.6072 0.0000 0.0000 51994.6086 -109416.3087 298.8137 -161410.9173 -109050.5367 299.1986 -234.1635 -203.8793 763134.5433 2.5357 2.6558 PRESSURE: 2434400 42.3231 -123.819 157.538 -123.818 2.53384 82.6558 157.538 82.6553 162.143 GPRESSURE: 2434400 25.9346 -126.406 129.926 -135.132 129.455 115.578 62.1616 63.6725 126.368 PRESSAVG: 2434400 -17.7923 -29.5636 -19.1266 -29.5636 14.2219 -15.6372 -19.1266 -15.6373 -15.7529 GPRESSAVG: 2434400 -19.6118 -30.7024 -18.4757 -28.0052 14.8438 -13.818 -18.6323 -16.1838 -14.2345 TIMING: 2434400 CPU: 7604.4, 0.00311144/step Wall: 7604.4, 0.00311144/step, 2.21742 hours remaining, 234.050781 MB of memory in use. ENERGY: 2434400 4033.6074 20567.0383 14361.1544 253.0152 -203181.3845 2614.0402 0.0000 0.0000 51756.6944 -109595.8346 297.4464 -161352.5291 -109232.3879 298.0088 68.9999 93.9191 763612.6183 -6.4411 -6.3342 PRESSURE: 2434600 424.207 -8.83882 67.9534 -8.83962 111.326 -47.7138 67.9538 -47.7122 67.4069 GPRESSURE: 2434600 402.45 -16.0074 85.752 -9.39058 126.448 -128.947 93.3759 28.9276 174.171 PRESSAVG: 2434600 12.7993 -5.40995 -43.3401 -5.40996 -29.311 -51.6389 -43.3401 -51.6388 15.7936 GPRESSAVG: 2434600 14.1512 -5.22937 -44.8598 -7.08254 -29.5695 -52.579 -43.6297 -47.4604 15.6882 TIMING: 2434600 CPU: 7605.02, 0.00310488/step Wall: 7605.02, 0.00310488/step, 2.21257 hours remaining, 234.050781 MB of memory in use. ENERGY: 2434600 3974.3675 20463.2949 14430.8387 243.1008 -203156.7176 2857.4167 0.0000 0.0000 51701.1107 -109486.5883 297.1270 -161187.6991 -109137.7604 298.5093 200.9799 234.3565 762673.9572 -0.2393 0.0900 PRESSURE: 2434800 -34.7336 85.6508 -39.0879 85.6518 71.1607 59.2063 -39.0876 59.2069 193.292 GPRESSURE: 2434800 13.6061 25.5745 -86.6094 147.899 73.7382 86.6936 10.949 94.8993 218.296 PRESSAVG: 2434800 -41.7862 16.7986 -7.20959 16.7986 13.3066 26.3506 -7.20957 26.3506 -1.03466 GPRESSAVG: 2434800 -41.8433 16.2074 -5.78731 15.9804 14.088 26.6032 -8.39086 25.5408 -1.49522 TIMING: 2434800 CPU: 7605.64, 0.00311231/step Wall: 7605.64, 0.00311231/step, 2.21769 hours remaining, 234.050781 MB of memory in use. ENERGY: 2434800 3896.1181 20486.2795 14437.5407 263.0597 -203616.1747 2911.1823 0.0000 0.0000 52000.0411 -109621.9532 298.8450 -161621.9943 -109264.2711 297.9802 76.5730 101.8801 762371.8194 -9.8381 -9.7502 PRESSURE: 2435000 275.022 -106.294 48.8799 -106.293 6.13597 127.755 48.8805 127.754 305.782 GPRESSURE: 2435000 306.753 -178.477 -7.85517 -124.586 51.4129 103.201 60.3047 139.447 314.972 PRESSAVG: 2435000 -21.1634 -9.39542 -28.6488 -9.39545 59.9484 27.4968 -28.6488 27.4968 -4.83652 GPRESSAVG: 2435000 -21.8995 -11.3611 -28.8373 -9.62957 60.5344 26.8003 -26.8075 28.3043 -3.87426 TIMING: 2435000 CPU: 7606.26, 0.00309879/step Wall: 7606.26, 0.00309878/step, 2.20788 hours remaining, 234.050781 MB of memory in use. ENERGY: 2435000 4009.0385 20333.3249 14519.8614 248.5582 -203376.5180 2431.1716 0.0000 0.0000 52164.3322 -109670.2313 299.7891 -161834.5634 -109308.4074 298.4527 195.6465 224.3794 761564.2642 11.3162 11.5869 PRESSURE: 2435200 -274.371 -24.829 155.845 -24.8289 -58.72 253.771 155.846 253.77 -6.53825 GPRESSURE: 2435200 -233.66 26.0013 148.51 -68.3905 -50.1859 246.786 36.3114 340.223 30.8095 PRESSAVG: 2435200 14.5952 -12.1494 -20.7683 -12.1495 -3.2824 23.5295 -20.7684 23.5296 26.5193 GPRESSAVG: 2435200 15.8293 -10.9044 -19.4432 -13.1623 -4.46569 23.8273 -21.3853 22.6044 26.4427 TIMING: 2435200 CPU: 7606.88, 0.00309459/step Wall: 7606.88, 0.00309459/step, 2.20472 hours remaining, 234.050781 MB of memory in use. ENERGY: 2435200 3940.6237 20465.7722 14476.2946 219.2365 -203213.5710 2583.7751 0.0000 0.0000 51994.3284 -109533.5405 298.8121 -161527.8689 -109169.0682 298.5487 -113.2096 -84.3455 762180.0373 12.6107 12.6021 PRESSURE: 2435400 -66.8663 -76.8573 48.5577 -76.8574 125.881 5.65132 48.5574 5.65086 -204.465 GPRESSURE: 2435400 20.2778 -112.668 -6.42714 -62.1794 139.09 -11.0516 119.365 -182.106 -226.025 PRESSAVG: 2435400 -13.6267 -72.3238 64.3269 -72.3239 43.2853 -3.00872 64.3269 -3.00874 4.08439 GPRESSAVG: 2435400 -14.8651 -71.6829 62.4155 -71.3477 44.8073 -2.35148 63.078 -2.9255 4.06294 TIMING: 2435400 CPU: 7607.5, 0.00309557/step Wall: 7607.5, 0.00309557/step, 2.20525 hours remaining, 234.050781 MB of memory in use. ENERGY: 2435400 3941.2967 20382.1298 14513.2184 252.7824 -203602.4962 2970.6424 0.0000 0.0000 52083.1666 -109459.2599 299.3227 -161542.4265 -109097.2915 298.8274 -48.4833 -22.2189 761277.5289 11.2477 11.3351 PRESSURE: 2435600 232.502 110.834 -228.031 110.834 27.7513 32.8464 -228.032 32.8465 24.5426 GPRESSURE: 2435600 269.636 154.328 -235.277 56.4545 8.23487 34.0661 7.40314 33.1132 87.4108 PRESSAVG: 2435600 -53.1667 13.7655 41.9374 13.7655 35.2705 -104.019 41.9374 -104.019 -18.6456 GPRESSAVG: 2435600 -52.0911 15.1107 42.9121 13.3689 33.6754 -104.167 44.6989 -105.728 -17.9651 TIMING: 2435600 CPU: 7608.12, 0.00310278/step Wall: 7608.12, 0.00310278/step, 2.21021 hours remaining, 234.050781 MB of memory in use. ENERGY: 2435600 4026.0389 20545.1052 14480.6062 260.9847 -203580.4223 2878.7389 0.0000 0.0000 51819.3092 -109569.6391 297.8063 -161388.9483 -109219.6367 298.8433 94.9320 121.7606 760947.3231 -12.1806 -12.1269 PRESSURE: 2435800 -143.583 -24.7616 130.786 -24.7614 -47.732 66.734 130.787 66.735 75.4395 GPRESSURE: 2435800 -135.716 -31.8774 150.462 -27.0803 -13.4428 28.6384 5.41445 30.8465 85.9988 PRESSAVG: 2435800 -35.1983 31.596 33.6748 31.596 42.0364 38.5974 33.6747 38.5974 31.2846 GPRESSAVG: 2435800 -34.8697 29.5236 34.1746 30.8447 42.4496 40.5975 33.6113 36.7704 30.6117 TIMING: 2435800 CPU: 7608.74, 0.003098/step Wall: 7608.74, 0.003098/step, 2.20664 hours remaining, 234.050781 MB of memory in use. ENERGY: 2435800 4059.8968 20443.2295 14521.5423 245.8181 -203869.8983 3055.2465 0.0000 0.0000 51970.5481 -109573.6169 298.6755 -161544.1651 -109211.4993 298.5193 -38.6251 -21.0534 761312.7201 12.7076 12.7305 PRESSURE: 2436000 290.85 -72.1194 72.6516 -72.1187 -137.741 -365.584 72.6522 -365.584 499.095 GPRESSURE: 2436000 178.851 -114.149 118.491 -90.6032 9.03567 -288.257 81.3629 -306.906 547.145 PRESSAVG: 2436000 30.7841 31.3524 16.6256 31.3524 -39.9787 15.4569 16.6256 15.4569 23.4392 GPRESSAVG: 2436000 29.3155 31.1926 16.7812 32.6196 -37.8861 12.657 13.5731 16.6316 23.5434 TIMING: 2436000 CPU: 7609.36, 0.00310163/step Wall: 7609.36, 0.00310163/step, 2.20905 hours remaining, 234.050781 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: 2436000 4063.7534 20425.0990 14435.8001 245.4555 -203462.6010 2650.5225 0.0000 0.0000 51888.1333 -109753.8371 298.2018 -161641.9704 -109402.8281 298.6806 217.4014 245.0104 761116.8315 4.7482 4.9909 PRESSURE: 2436200 46.2218 45.0724 44.9413 45.0733 -166.658 -209.268 44.941 -209.267 162.253 GPRESSURE: 2436200 83.1204 92.3787 -72.3204 49.0228 -229.241 -150.82 91.1949 -82.8857 275.529 PRESSAVG: 2436200 21.4923 55.8184 70.9793 55.8184 -20.8155 -14.3647 70.9793 -14.3648 -8.03011 GPRESSAVG: 2436200 22.3837 59.4018 71.4713 55.0656 -22.1593 -12.8724 70.9548 -12.2181 -7.82583 TIMING: 2436200 CPU: 7609.99, 0.00311411/step Wall: 7609.99, 0.00311411/step, 2.21776 hours remaining, 234.050781 MB of memory in use. ENERGY: 2436200 3994.9743 20350.6149 14394.1457 252.5152 -203370.4532 2774.9629 0.0000 0.0000 51874.2390 -109729.0012 298.1220 -161603.2402 -109371.5708 298.4092 13.9389 43.1363 760652.7242 -2.4511 -2.5338 LDB: ============= START OF LOAD BALANCING ============== 7622.46 LDB: ============== END OF LOAD BALANCING =============== 7622.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7622.47 LDB: ============= START OF LOAD BALANCING ============== 7622.77 LDB: Largest compute 7031 load 0.031457 is 16.1% of average load 0.195082 LDB: Average compute 0.004397 is 2.3% of average load 0.195082 LDB: TIME 7622.78 LOAD: AVG 0.195082 MAX 0.214316 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.078 MB LDB: TIME 7622.78 LOAD: AVG 0.195082 MAX 0.214316 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.148 MB LDB: TIME 7622.78 LOAD: AVG 0.195082 MAX 0.214316 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.148 MB LDB: ============== END OF LOAD BALANCING =============== 7622.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7622.78 PRESSURE: 2436400 73.0034 21.7839 18.5563 21.784 250.227 95.1728 18.5559 95.1713 -72.8382 GPRESSURE: 2436400 153.798 -49.7942 -66.0308 72.5982 317.571 101.923 -29.3357 118.384 -130.225 PRESSAVG: 2436400 29.2162 36.7921 37.8873 36.7921 -21.3822 37.1673 37.8873 37.1673 -1.98786 GPRESSAVG: 2436400 29.1959 33.2967 36.6384 37.7286 -20.8432 36.744 38.3279 34.5948 -2.18252 TIMING: 2436400 CPU: 7610.62, 0.00316907/step Wall: 7610.62, 0.00316907/step, 2.25673 hours remaining, 235.593750 MB of memory in use. ENERGY: 2436400 3965.2560 20188.4340 14366.3537 263.5508 -203807.7409 2884.5232 0.0000 0.0000 52020.3333 -110119.2899 298.9616 -162139.6232 -109752.6860 298.0954 83.4642 113.7148 761490.7237 1.9487 2.0567 PRESSURE: 2436600 -290.046 10.1416 87.1764 10.142 -49.779 -126.343 87.1759 -126.343 240.72 GPRESSURE: 2436600 -261.916 136.271 149.361 3.49711 -68.1435 -120.042 -40.3927 -89.604 317.348 PRESSAVG: 2436600 -3.17907 30.4512 18.5657 30.4511 73.4764 -15.2803 18.5657 -15.2803 -15.093 GPRESSAVG: 2436600 -4.07026 30.7351 19.268 30.1867 74.3055 -14.8997 15.4692 -14.6201 -15.0506 TIMING: 2436600 CPU: 7611.24, 0.00310037/step Wall: 7611.24, 0.00310037/step, 2.20763 hours remaining, 235.593750 MB of memory in use. ENERGY: 2436600 4001.6906 20465.4826 14442.0237 266.6751 -203489.6532 2615.8460 0.0000 0.0000 51695.1104 -110002.8248 297.0925 -161697.9352 -109641.8192 297.6969 -33.0349 -4.2370 759954.4317 18.4014 18.3949 PRESSURE: 2436800 158.167 157.161 39.3949 157.162 177.196 72.6261 39.3954 72.6265 489.67 GPRESSURE: 2436800 224.469 248.565 104.407 68.4114 204.98 66.7737 79.5468 32.8126 471.326 PRESSAVG: 2436800 5.20778 21.6774 -46.2105 21.6775 -15.7451 27.4145 -46.2106 27.4146 27.4442 GPRESSAVG: 2436800 5.92639 23.5789 -45.0715 22.2932 -16.4254 25.5116 -41.8653 28.399 27.5397 TIMING: 2436800 CPU: 7611.86, 0.00310604/step Wall: 7611.86, 0.00310604/step, 2.2115 hours remaining, 235.593750 MB of memory in use. ENERGY: 2436800 3975.1377 20387.1068 14381.7245 261.6861 -203746.1404 2814.5542 0.0000 0.0000 52160.5814 -109765.3496 299.7676 -161925.9310 -109409.6647 297.5463 275.0111 300.2582 760837.8749 5.6356 5.6802 PRESSURE: 2437000 115.908 -323.243 -95.1276 -323.242 261.421 79.8809 -95.128 79.8798 251.743 GPRESSURE: 2437000 95.6743 -372.884 -131.598 -247.035 260.037 120.802 -69.4196 27.2609 342.069 PRESSAVG: 2437000 -16.863 35.7746 -18.3132 35.7746 50.5848 26.3754 -18.3131 26.3754 8.83016 GPRESSAVG: 2437000 -16.6365 35.2074 -19.969 35.765 49.7478 29.1874 -19.9571 24.2729 9.42749 TIMING: 2437000 CPU: 7612.48, 0.00312226/step Wall: 7612.48, 0.00312226/step, 2.22287 hours remaining, 235.726562 MB of memory in use. ENERGY: 2437000 4031.0600 20591.9446 14460.4694 256.7040 -203704.5723 2854.1882 0.0000 0.0000 51889.6333 -109620.5728 298.2104 -161510.2061 -109277.0986 298.6855 209.6907 232.5934 759772.6748 14.1840 14.1796 PRESSURE: 2437200 -135.853 -133.288 256.491 -133.288 -223.382 -107.579 256.491 -107.579 59.004 GPRESSURE: 2437200 -75.341 -140.379 196.525 -143.276 -146.175 -68.4207 272.133 -140.177 3.84325 PRESSAVG: 2437200 19.1125 -45.1953 -2.5934 -45.1953 -0.483503 -7.45663 -2.59329 -7.45659 8.58544 GPRESSAVG: 2437200 19.7914 -46.4448 -2.02843 -45.2925 -0.0176553 -8.1912 -1.32408 -5.62343 7.47113 TIMING: 2437200 CPU: 7613.11, 0.00310774/step Wall: 7613.11, 0.00310774/step, 2.21236 hours remaining, 235.726562 MB of memory in use. ENERGY: 2437200 3980.5569 20479.4523 14448.2918 249.9544 -202686.3538 2431.2430 0.0000 0.0000 51645.5392 -109451.3161 296.8076 -161096.8554 -109091.7498 298.5341 -100.0771 -72.5575 762224.8788 9.0715 9.0816 PRESSURE: 2437400 17.8218 -115.653 169.799 -115.654 597.057 -257.174 169.799 -257.175 252.93 GPRESSURE: 2437400 68.7629 -42.967 123.706 -166.324 604.61 -278.031 244.566 -235.958 265.556 PRESSAVG: 2437400 -5.56134 -5.40046 -18.4297 -5.40041 58.9272 -0.395233 -18.4296 -0.395163 21.2744 GPRESSAVG: 2437400 -6.63192 -5.08507 -19.0879 -4.28666 59.3106 -0.665537 -18.8745 -0.538253 22.042 TIMING: 2437400 CPU: 7613.73, 0.00310331/step Wall: 7613.73, 0.00310331/step, 2.20904 hours remaining, 235.726562 MB of memory in use. ENERGY: 2437400 3999.0950 20612.9654 14474.3010 251.8504 -203421.4354 2755.9273 0.0000 0.0000 51743.7148 -109583.5815 297.3718 -161327.2963 -109225.5524 298.3772 289.2696 312.9763 760236.7381 24.8801 24.9069 PRESSURE: 2437600 -137.382 -85.3987 79.279 -85.398 105.867 22.0696 79.2796 22.0702 -8.36103 GPRESSURE: 2437600 -146.588 -58.3744 122.703 -78.7609 184.404 26.3195 123.074 -25.4494 7.84228 PRESSAVG: 2437600 -68.2628 21.8723 -5.7171 21.8724 49.9879 7.02497 -5.71713 7.02494 -0.321423 GPRESSAVG: 2437600 -68.0731 24.1072 -5.45787 21.2663 49.9375 6.40311 -6.96199 7.4338 -0.767292 TIMING: 2437600 CPU: 7614.35, 0.00312121/step Wall: 7614.35, 0.00312121/step, 2.22161 hours remaining, 235.726562 MB of memory in use. ENERGY: 2437600 3964.1030 20514.7183 14439.4664 242.3535 -203111.8487 2459.3725 0.0000 0.0000 52069.8298 -109422.0052 299.2460 -161491.8350 -109068.2709 298.4012 -13.2921 15.2195 762379.9218 -6.1988 -6.3010 PRESSURE: 2437800 -32.5236 -54.837 -136.355 -54.8372 -252.168 -103.123 -136.355 -103.122 416.037 GPRESSURE: 2437800 56.2428 46.3549 -270.737 -17.2724 -231.379 -148.579 -93.4877 -51.936 379.281 PRESSAVG: 2437800 2.30011 15.3121 -27.8332 15.3122 -9.12358 -9.24775 -27.8331 -9.24773 -1.12427 GPRESSAVG: 2437800 1.26298 12.5895 -27.4183 17.2685 -8.12016 -10.2374 -28.1292 -8.88605 -0.883475 TIMING: 2437800 CPU: 7614.97, 0.00311482/step Wall: 7614.97, 0.00311482/step, 2.21688 hours remaining, 235.726562 MB of memory in use. ENERGY: 2437800 3908.3083 20506.7736 14505.4859 268.4522 -203406.4315 2651.0664 0.0000 0.0000 51931.5552 -109634.7899 298.4514 -161566.3450 -109267.7544 299.1150 43.7817 68.0481 762217.7426 -2.6492 -2.5802 PRESSURE: 2438000 507.434 9.60221 67.0768 9.60111 550.524 -81.7166 67.0773 -81.7162 281.384 GPRESSURE: 2438000 646.485 76.0356 84.0186 -86.9419 450.441 4.42924 216.043 -25.9714 324.846 PRESSAVG: 2438000 19.0355 -4.62907 8.50981 -4.62905 8.06877 -0.143357 8.50985 -0.143351 17.2212 GPRESSAVG: 2438000 18.8806 -2.8296 9.37304 -6.07152 7.91832 1.03128 11.3629 -0.333586 17.7471 TIMING: 2438000 CPU: 7615.59, 0.0031043/step Wall: 7615.59, 0.0031043/step, 2.20923 hours remaining, 235.726562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2438000 3920.6689 20538.9060 14432.3377 239.9050 -203969.8135 3249.1208 0.0000 0.0000 52069.2542 -109519.6209 299.2427 -161588.8752 -109163.6205 298.3527 446.4474 473.9239 759916.4222 14.7752 14.8487 PRESSURE: 2438200 -243.38 -17.5518 -92.4625 -17.5522 19.4286 141.836 -92.4636 141.837 -106.943 GPRESSURE: 2438200 -153.194 13.7708 -118.054 -9.16137 18.4419 132.128 -113.996 55.6246 -106.966 PRESSAVG: 2438200 0.367145 12.8168 -62.8662 12.8167 -30.6061 -11.9825 -62.8662 -11.9825 10.4233 GPRESSAVG: 2438200 0.392488 13.2284 -64.5237 13.5269 -29.989 -10.8849 -64.6639 -14.748 9.84444 TIMING: 2438200 CPU: 7616.22, 0.00310349/step Wall: 7616.22, 0.00310349/step, 2.20848 hours remaining, 235.726562 MB of memory in use. ENERGY: 2438200 4010.0982 20326.6765 14434.1870 246.6355 -203418.4352 2744.9488 0.0000 0.0000 51954.4950 -109701.3942 298.5832 -161655.8892 -109336.7834 298.6982 -110.2981 -80.5725 761889.6384 -6.6052 -6.5840 PRESSURE: 2438400 -0.341349 -157.228 38.8988 -157.229 -226.284 -102.234 38.8993 -102.234 -4.38117 GPRESSURE: 2438400 52.9733 -169.611 62.3154 -146.569 -145.116 -39.4332 -86.4209 -63.5827 -39.5346 PRESSAVG: 2438400 12.6572 15.2124 -7.76474 15.2123 -14.2385 -2.13087 -7.76475 -2.13084 -6.35144 GPRESSAVG: 2438400 12.2045 14.7613 -7.40949 12.3574 -13.9448 -3.18252 -10.4139 -0.203157 -6.73258 TIMING: 2438400 CPU: 7616.84, 0.00310172/step Wall: 7616.84, 0.00310172/step, 2.20705 hours remaining, 235.726562 MB of memory in use. ENERGY: 2438400 3992.4508 20362.1857 14445.0864 255.6802 -203452.8377 2658.4039 0.0000 0.0000 51955.4008 -109783.6299 298.5884 -161739.0307 -109415.9843 298.6170 -77.0021 -43.8925 760342.1864 -2.6443 -2.8243 PRESSURE: 2438600 -56.1963 -46.0108 70.448 -46.0104 -152.181 54.3817 70.4482 54.3822 -73.2967 GPRESSURE: 2438600 -105.103 55.8595 84.1232 -116.848 -20.7346 32.7652 -14.3847 31.9478 -45.1939 PRESSAVG: 2438600 70.2531 -21.4919 -21.9673 -21.4918 13.9023 -41.9505 -21.9674 -41.9504 -4.64451 GPRESSAVG: 2438600 70.0228 -22.3131 -21.7302 -18.4293 13.5336 -42.1326 -17.2469 -40.9696 -4.24005 TIMING: 2438600 CPU: 7617.46, 0.0031058/step Wall: 7617.46, 0.0031058/step, 2.20978 hours remaining, 235.726562 MB of memory in use. ENERGY: 2438600 3990.8754 20314.8706 14409.4705 237.0667 -203180.5176 2444.7948 0.0000 0.0000 52072.7438 -109710.6959 299.2628 -161783.4397 -109340.1207 298.5930 -93.8915 -57.0107 759128.1554 26.5036 26.4388 PRESSURE: 2438800 -622.028 -49.0226 -108.45 -49.0222 -314.513 177.125 -108.451 177.124 -87.196 GPRESSURE: 2438800 -565.655 -78.6044 -128.176 -21.6701 -290.841 200.932 -25.728 2.0579 -92.828 PRESSAVG: 2438800 -11.4255 -32.0582 21.4353 -32.0582 9.29241 4.80576 21.4353 4.80575 -10.9336 GPRESSAVG: 2438800 -11.0298 -32.1878 21.1955 -34.3669 8.40073 4.76958 20.296 2.17891 -10.1492 TIMING: 2438800 CPU: 7618.08, 0.00310378/step Wall: 7618.08, 0.00310378/step, 2.20817 hours remaining, 235.726562 MB of memory in use. ENERGY: 2438800 4071.5546 20389.0409 14449.3142 249.2831 -203341.5518 2605.6625 0.0000 0.0000 51928.6458 -109648.0506 298.4346 -161576.6964 -109287.5324 298.6213 -341.2459 -316.4413 760473.3561 -4.3556 -4.2594 PRESSURE: 2439000 -79.0782 78.8232 72.3523 78.8228 -176.627 -147.779 72.3519 -147.78 303.978 GPRESSURE: 2439000 -56.6532 220.982 35.7256 -109.301 -73.7298 -121.398 51.5059 -83.4015 243.221 PRESSAVG: 2439000 -10.3432 -13.0645 73.7217 -13.0645 -17.7065 -31.5223 73.7217 -31.5222 14.0385 GPRESSAVG: 2439000 -10.2967 -12.8827 73.246 -10.8402 -16.1084 -32.1431 74.6807 -28.6583 12.282 TIMING: 2439000 CPU: 7618.7, 0.00309653/step Wall: 7618.7, 0.00309653/step, 2.20284 hours remaining, 235.726562 MB of memory in use. ENERGY: 2439000 3986.3495 20471.7599 14460.3019 247.1007 -203090.0322 2525.3199 0.0000 0.0000 51931.5116 -109467.6887 298.4511 -161399.2003 -109102.0336 298.9078 16.0911 37.6127 761722.8152 -4.6704 -4.7077 PRESSURE: 2439200 124.574 53.5261 -19.7329 53.5263 202.119 6.33202 -19.7318 6.33265 242.125 GPRESSURE: 2439200 150.405 37.5969 -21.259 171.642 207.609 14.0723 50.8288 -192.625 288.841 PRESSAVG: 2439200 -12.8023 -12.7119 27.5875 -12.7119 64.1841 -3.21587 27.5876 -3.21596 -16.5597 GPRESSAVG: 2439200 -12.0204 -14.1106 28.7035 -13.0295 63.8672 -2.44751 26.8968 -3.29608 -16.6153 TIMING: 2439200 CPU: 7619.32, 0.00310369/step Wall: 7619.32, 0.00310369/step, 2.20776 hours remaining, 235.726562 MB of memory in use. ENERGY: 2439200 4055.6295 20277.4917 14412.7309 248.2581 -203441.4687 2711.7111 0.0000 0.0000 52118.7572 -109616.8901 299.5272 -161735.6473 -109252.5832 298.7263 189.6060 215.6182 760690.5363 11.6074 11.7438 PRESSURE: 2439400 -5.66787 -112.743 106.909 -112.742 -51.9719 172.351 106.909 172.351 72.6838 GPRESSURE: 2439400 20.0676 -222.552 153.476 -84.5932 -49.7557 173.504 176.592 142.119 132.834 PRESSAVG: 2439400 13.8243 -29.8634 9.69357 -29.8634 32.3876 2.60097 9.6935 2.60105 2.95661 GPRESSAVG: 2439400 12.7694 -27.9438 9.76979 -29.7517 31.6323 1.71824 10.0252 1.55096 4.79496 TIMING: 2439400 CPU: 7619.94, 0.00310923/step Wall: 7619.94, 0.00310923/step, 2.21153 hours remaining, 235.726562 MB of memory in use. ENERGY: 2439400 3985.2035 20379.6876 14518.6331 248.4743 -203328.9525 2627.6558 0.0000 0.0000 51728.5869 -109840.7112 297.2849 -161569.2981 -109469.1420 298.4151 5.0147 34.3821 760919.5200 16.3895 16.3989 PRESSURE: 2439600 -260.915 148.037 145.954 148.037 -156.644 -88.3587 145.954 -88.3587 353.848 GPRESSURE: 2439600 -198.281 149.161 169.988 33.6161 -122.031 -182.732 145.308 -140.966 351.497 PRESSAVG: 2439600 -13.9463 24.851 58.6461 24.8509 40.1422 38.3371 58.6461 38.3371 -25.477 GPRESSAVG: 2439600 -14.1003 23.0892 58.5269 23.1607 40.9759 40.2777 59.5566 39.5838 -26.7671 TIMING: 2439600 CPU: 7620.56, 0.00310984/step Wall: 7620.56, 0.00310984/step, 2.21179 hours remaining, 235.726562 MB of memory in use. ENERGY: 2439600 3948.6005 20316.2062 14493.9633 236.5018 -203263.7166 2405.3538 0.0000 0.0000 51998.7786 -109864.3125 298.8377 -161863.0912 -109501.3169 298.1510 -21.2370 10.3950 760145.1842 0.2396 0.0362 PRESSURE: 2439800 -512.275 -50.1825 -51.2987 -50.1825 -100.134 90.0823 -51.2984 90.0816 -213.082 GPRESSURE: 2439800 -427.275 -196.146 -50.2644 116.697 -119.256 144.129 9.36876 -18.4969 -197.162 PRESSAVG: 2439800 -37.2947 4.30894 -21.1705 4.30892 42.3184 38.756 -21.1706 38.7561 3.2573 GPRESSAVG: 2439800 -36.2116 5.3445 -19.4546 5.50772 41.6812 38.677 -22.7935 37.9591 2.97078 TIMING: 2439800 CPU: 7621.18, 0.00310238/step Wall: 7621.18, 0.00310238/step, 2.20631 hours remaining, 235.726562 MB of memory in use. ENERGY: 2439800 4022.2031 20495.5038 14386.6749 232.6666 -203291.1980 2322.1454 0.0000 0.0000 51912.5053 -109919.4989 298.3419 -161832.0042 -109567.4643 297.9507 -275.1637 -247.8978 761214.7144 2.7603 2.8135 PRESSURE: 2440000 -63.0942 -159.002 50.7723 -159.002 -452.174 21.6286 50.7718 21.6292 -50.491 GPRESSURE: 2440000 -61.0251 -52.8856 57.6973 -97.0977 -352.708 97.0246 -26.9083 -19.4446 -59.7712 PRESSAVG: 2440000 -33.5636 -4.47523 54.3767 -4.4752 17.8959 54.4656 54.3767 54.4656 -8.1726 GPRESSAVG: 2440000 -33.9254 -4.81617 54.1059 -5.07091 18.2948 53.0589 54.452 54.0017 -8.13881 TIMING: 2440000 CPU: 7621.8, 0.00310242/step Wall: 7621.8, 0.00310242/step, 2.20617 hours remaining, 235.726562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2440000 4057.5307 20501.0471 14361.2558 262.6520 -203149.0246 2356.8955 0.0000 0.0000 51779.9030 -109829.7405 297.5798 -161609.6435 -109472.9127 298.1038 -188.5863 -157.8349 762055.3938 -7.9468 -7.9231 PRESSURE: 2440200 -530.594 -38.3266 -21.395 -38.3275 -148.402 250.699 -21.3962 250.7 -541.354 GPRESSURE: 2440200 -515.996 -18.7246 38.7878 75.1356 -170.334 156.993 -1.7907 76.8367 -469.013 PRESSAVG: 2440200 -62.4108 0.848528 10.3504 0.848546 75.6493 11.4638 10.3502 11.4638 18.9195 GPRESSAVG: 2440200 -62.5888 0.395998 8.59618 1.04622 75.6364 11.4426 12.7036 10.3271 18.8992 TIMING: 2440200 CPU: 7622.42, 0.00310444/step Wall: 7622.42, 0.00310444/step, 2.20743 hours remaining, 235.726562 MB of memory in use. ENERGY: 2440200 4051.9686 20554.0259 14436.8215 238.1843 -203682.1856 2622.8199 0.0000 0.0000 51931.0916 -109847.2738 298.4487 -161778.3654 -109482.2653 298.3208 -406.7832 -385.1142 760904.3631 10.7193 10.6489 LDB: ============= START OF LOAD BALANCING ============== 7634.9 LDB: ============== END OF LOAD BALANCING =============== 7634.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7634.9 LDB: ============= START OF LOAD BALANCING ============== 7635.21 LDB: Largest compute 7031 load 0.029518 is 15.1% of average load 0.195104 LDB: Average compute 0.004383 is 2.2% of average load 0.195104 LDB: TIME 7635.21 LOAD: AVG 0.195104 MAX 0.218318 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.379 MB LDB: TIME 7635.21 LOAD: AVG 0.195104 MAX 0.218318 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.379 MB LDB: TIME 7635.21 LOAD: AVG 0.195104 MAX 0.213565 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.379 MB LDB: ============== END OF LOAD BALANCING =============== 7635.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7635.22 PRESSURE: 2440400 -234.383 245.085 225.019 245.085 32.4013 -52.0428 225.019 -52.043 -468.914 GPRESSURE: 2440400 -121.228 141.289 275.639 185.096 19.0433 -22.9843 188.343 57.0006 -480.054 PRESSAVG: 2440400 -98.9856 -21.7653 51.7473 -21.7653 55.1373 -0.999626 51.7473 -0.999651 2.5182 GPRESSAVG: 2440400 -98.4715 -22.6258 52.797 -22.6551 54.9712 -0.65436 48.5537 -0.540642 2.35556 TIMING: 2440400 CPU: 7623.06, 0.00315823/step Wall: 7623.06, 0.00315823/step, 2.2455 hours remaining, 233.230469 MB of memory in use. ENERGY: 2440400 4060.0130 20507.7540 14420.9316 241.5855 -203862.0844 2685.0987 0.0000 0.0000 51761.9201 -110184.7815 297.4765 -161946.7016 -109826.8567 297.7740 -223.6320 -194.0796 760462.0088 -13.7767 -13.7149 PRESSURE: 2440600 -336.457 -51.659 -22.7604 -51.6592 191.469 -14.4692 -22.7592 -14.4689 170.619 GPRESSURE: 2440600 -210.443 -125.358 12.4285 -57.7334 152.726 -21.2579 -53.1031 -88.1723 158.954 PRESSAVG: 2440600 -67.4448 -26.8831 12.6064 -26.8832 24.2769 -24.1646 12.6064 -24.1647 5.47883 GPRESSAVG: 2440600 -67.8344 -26.2873 11.5568 -25.6734 23.8648 -24.3238 14.7783 -24.471 6.59072 TIMING: 2440600 CPU: 7623.67, 0.00309823/step Wall: 7623.67, 0.00309823/step, 2.20267 hours remaining, 233.230469 MB of memory in use. ENERGY: 2440600 3931.9171 20410.5203 14389.7245 238.2517 -203657.6124 2694.7254 0.0000 0.0000 51871.5782 -110120.8951 298.1067 -161992.4733 -109751.6192 297.7896 8.5439 33.7454 761120.7549 -12.5630 -12.4596 PRESSURE: 2440800 -20.0729 -207.942 86.467 -207.941 4.33014 -162.455 86.4677 -162.456 63.4536 GPRESSURE: 2440800 84.6806 -124.955 57.1865 -302.381 -3.54533 -269.685 -45.3608 -146.446 57.5413 PRESSAVG: 2440800 -37.6079 -47.943 1.66981 -47.9429 57.4043 -39.956 1.66989 -39.9561 -22.3634 GPRESSAVG: 2440800 -37.2433 -46.7968 2.06013 -49.1033 58.6125 -40.0841 1.62368 -38.0042 -23.5257 TIMING: 2440800 CPU: 7624.29, 0.00309706/step Wall: 7624.29, 0.00309706/step, 2.20167 hours remaining, 233.230469 MB of memory in use. ENERGY: 2440800 3940.0403 20508.1194 14440.3959 265.1912 -203915.3837 2679.7783 0.0000 0.0000 51977.9151 -110103.9435 298.7178 -162081.8587 -109735.3781 297.7647 15.9036 46.2255 760688.0157 -0.8557 -0.7188 PRESSURE: 2441000 448.733 79.0338 45.1439 79.0344 38.7401 -243.472 45.1439 -243.473 191.965 GPRESSURE: 2441000 340.9 6.67939 -49.5241 78.7277 230.458 -263.244 28.976 -297.866 179.353 PRESSAVG: 2441000 -57.7731 -59.0772 31.9472 -59.0773 33.9299 2.99053 31.9471 2.99051 16.9095 GPRESSAVG: 2441000 -58.4853 -58.8988 32.4252 -58.2613 34.7812 3.29071 29.4411 1.21409 17.0136 TIMING: 2441000 CPU: 7624.91, 0.00309227/step Wall: 7624.91, 0.00309228/step, 2.19809 hours remaining, 233.230469 MB of memory in use. ENERGY: 2441000 3957.7917 20432.4175 14529.7496 249.5846 -204137.1566 3184.3055 0.0000 0.0000 51883.7967 -109899.5111 298.1769 -161783.3078 -109535.8919 298.0927 226.4793 250.2370 760188.7614 -2.3112 -2.2301 PRESSURE: 2441200 -42.9078 -60.532 1.86558 -60.5325 69.336 190.141 1.86538 190.142 320.978 GPRESSURE: 2441200 -17.6617 10.5613 -5.06279 36.3949 118.851 115.617 23.7403 136.053 315.069 PRESSAVG: 2441200 -14.1199 -17.218 -8.81187 -17.218 38.0639 -31.0376 -8.81187 -31.0376 10.3276 GPRESSAVG: 2441200 -14.0474 -16.1974 -8.67165 -18.9953 37.6027 -30.2535 -5.64848 -31.0528 11.0033 TIMING: 2441200 CPU: 7625.53, 0.00310543/step Wall: 7625.53, 0.00310543/step, 2.20727 hours remaining, 233.230469 MB of memory in use. ENERGY: 2441200 3945.6405 20570.0129 14493.4896 233.9881 -203599.6260 2796.3445 0.0000 0.0000 51635.8401 -109924.3104 296.7519 -161560.1506 -109556.4170 298.0274 115.8020 138.7528 761778.7808 11.4239 11.5195 PRESSURE: 2441400 -381.916 -30.6673 7.80518 -30.6669 -240.014 -101.326 7.8051 -101.326 -32.4958 GPRESSURE: 2441400 -382.961 -17.8016 22.3194 19.2468 -110.157 -93.3777 -152.222 -48.6786 -81.0313 PRESSAVG: 2441400 -4.34216 6.37864 59.0145 6.37867 -2.91384 -26.6766 59.0145 -26.6767 -6.17015 GPRESSAVG: 2441400 -3.05693 5.91005 58.6451 8.37343 -3.47641 -26.9644 57.0724 -25.4336 -7.43804 TIMING: 2441400 CPU: 7626.15, 0.00308691/step Wall: 7626.15, 0.00308691/step, 2.19394 hours remaining, 233.230469 MB of memory in use. ENERGY: 2441400 4032.0285 20480.8811 14463.7779 252.4072 -203278.0490 2445.5191 0.0000 0.0000 51816.4722 -109786.9629 297.7900 -161603.4351 -109421.2117 297.7361 -218.1419 -191.3831 761392.0680 -4.4754 -4.6571 PRESSURE: 2441600 -438.691 -176.717 119.726 -176.716 240.985 164.92 119.725 164.921 58.1051 GPRESSURE: 2441600 -347.837 -157.098 125.907 -187.49 297.388 140.468 22.2109 113.393 -15.8715 PRESSAVG: 2441600 1.08885 16.1364 -16.9481 16.1364 3.4129 -11.7045 -16.9481 -11.7045 -0.81404 GPRESSAVG: 2441600 -0.865882 15.0205 -15.9958 15.1022 3.45577 -12.4835 -21.0707 -12.7402 -0.0315829 TIMING: 2441600 CPU: 7626.77, 0.00310223/step Wall: 7626.77, 0.00310223/step, 2.20465 hours remaining, 233.230469 MB of memory in use. ENERGY: 2441600 4040.0157 20596.0868 14436.5332 235.9810 -203408.3944 2541.9436 0.0000 0.0000 51682.0344 -109875.7999 297.0174 -161557.8342 -109515.5758 297.7662 -46.5334 -22.1068 759277.5387 1.2292 0.8528 PRESSURE: 2441800 281.354 -323.184 204.324 -323.186 288.551 -332.903 204.325 -332.903 147.908 GPRESSURE: 2441800 365.828 -298.039 293.694 -292.015 261.293 -274.489 310.106 -270.562 157.757 PRESSAVG: 2441800 13.1767 0.238777 -2.93797 0.238725 7.71589 23.5784 -2.93803 23.5784 18.2348 GPRESSAVG: 2441800 15.0747 0.0430121 -3.65124 -1.01842 7.64033 23.3654 1.18358 23.8635 17.1906 TIMING: 2441800 CPU: 7627.39, 0.00309856/step Wall: 7627.39, 0.00309856/step, 2.20187 hours remaining, 233.230469 MB of memory in use. ENERGY: 2441800 3997.7324 20540.3460 14500.3299 242.0773 -203840.1964 2921.2919 0.0000 0.0000 51842.3470 -109796.0719 297.9387 -161638.4189 -109423.9769 297.9540 239.2709 261.6261 760621.0938 13.0425 13.3019 PRESSURE: 2442000 -0.56722 109.487 -97.9526 109.487 152.255 111.642 -97.9525 111.642 150.002 GPRESSURE: 2442000 12.8013 136.182 -153.765 79.5353 184.275 92.3357 -152.515 89.1389 217.356 PRESSAVG: 2442000 -7.7447 0.265646 19.6856 0.265664 0.846938 9.41777 19.6856 9.41775 -4.99604 GPRESSAVG: 2442000 -10.5243 0.415331 20.2886 3.95368 1.30271 10.6838 20.0933 8.75495 -2.95004 TIMING: 2442000 CPU: 7628.01, 0.0031071/step Wall: 7628.01, 0.0031071/step, 2.20777 hours remaining, 233.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2442000 3988.6103 20599.5702 14514.0165 235.4166 -203602.8158 2711.4825 0.0000 0.0000 51762.9805 -109790.7393 297.4826 -161553.7198 -109426.8782 297.8140 100.5630 138.1443 760443.4416 -3.9646 -4.0572 PRESSURE: 2442200 -137.225 -83.7452 31.7008 -83.7448 2.40207 -7.80598 31.7001 -7.80652 -245.825 GPRESSURE: 2442200 -99.5872 -151.531 65.1502 -3.19715 0.246888 49.4255 127.959 128.897 -206.526 PRESSAVG: 2442200 -16.5808 9.31712 -13.9847 9.31716 8.99949 29.0624 -13.9847 29.0624 27.3333 GPRESSAVG: 2442200 -16.0867 7.80719 -13.9618 9.29207 9.36157 28.5707 -14.125 29.9993 26.0858 TIMING: 2442200 CPU: 7628.63, 0.0030942/step Wall: 7628.63, 0.0030942/step, 2.19843 hours remaining, 233.230469 MB of memory in use. ENERGY: 2442200 4059.6749 20562.3806 14491.1308 233.2037 -203833.0459 2734.8705 0.0000 0.0000 52035.5614 -109716.2241 299.0491 -161751.7854 -109354.5628 298.6886 -126.8825 -101.9555 761481.8988 6.5840 6.4536 PRESSURE: 2442400 43.3091 -75.3874 -80.5575 -75.3868 -26.2665 -80.4261 -80.5578 -80.427 129.452 GPRESSURE: 2442400 118.878 -134.085 -85.7787 -31.7116 -15.9325 -105.045 -88.9755 -120.047 137.595 PRESSAVG: 2442400 -0.886518 -56.4984 20.5081 -56.4984 15.2337 23.9023 20.5082 23.9023 21.6133 GPRESSAVG: 2442400 -0.336069 -54.8242 18.1294 -56.3251 14.8002 26.1201 23.1307 22.5978 21.2186 TIMING: 2442400 CPU: 7629.25, 0.00309876/step Wall: 7629.25, 0.00309876/step, 2.2015 hours remaining, 233.230469 MB of memory in use. ENERGY: 2442400 3954.5500 20356.7613 14522.2017 263.8426 -203715.0228 2781.4663 0.0000 0.0000 52259.3490 -109576.8518 300.3352 -161836.2009 -109215.1309 299.0738 48.8316 80.1804 761452.9382 11.9868 11.8942 PRESSURE: 2442600 -509.971 73.0682 -114.73 73.0688 -349.402 74.3049 -114.729 74.3047 267.441 GPRESSURE: 2442600 -337.013 1.81205 -128.925 -83.1367 -517.064 -25.6708 -43.6879 173.643 346.221 PRESSAVG: 2442600 -12.605 -9.92318 19.4372 -9.92313 23.5445 -16.7437 19.4371 -16.7437 10.786 GPRESSAVG: 2442600 -13.0754 -10.1443 20.9963 -12.7303 22.6975 -19.4314 18.2244 -14.7882 11.5432 TIMING: 2442600 CPU: 7629.87, 0.00310659/step Wall: 7629.87, 0.00310659/step, 2.20689 hours remaining, 233.230469 MB of memory in use. ENERGY: 2442600 3992.7503 20545.6445 14503.9105 279.6014 -203290.8412 2478.8094 0.0000 0.0000 51922.2273 -109567.8978 298.3978 -161490.1251 -109190.2275 298.7542 -197.3104 -169.2851 763869.9228 7.2418 7.0551 PRESSURE: 2442800 577.216 -56.5675 48.3031 -56.5677 194.158 -119.783 48.3037 -119.784 306.306 GPRESSURE: 2442800 561.018 -48.462 -1.55773 -56.7913 271.881 -106.629 2.02668 69.0739 339.232 PRESSAVG: 2442800 28.124 24.1798 37.7099 24.1798 5.24985 34.6837 37.71 34.6836 52.5915 GPRESSAVG: 2442800 27.1521 25.4623 38.0131 26.0727 6.95165 36.4078 39.2967 33.8806 51.7258 TIMING: 2442800 CPU: 7630.49, 0.00310411/step Wall: 7630.49, 0.00310411/step, 2.20495 hours remaining, 233.230469 MB of memory in use. ENERGY: 2442800 4040.7438 20614.7648 14414.9103 254.2869 -203655.8782 2920.6855 0.0000 0.0000 51798.7313 -109611.7557 297.6880 -161410.4870 -109238.8570 298.4513 359.2268 390.7103 762692.4636 28.6551 28.6098 PRESSURE: 2443000 -271.176 -27.2394 54.4947 -27.239 -134.741 36.4784 54.4939 36.4781 -308.848 GPRESSURE: 2443000 -231.634 -101.003 21.1501 15.5299 -50.0969 -9.52222 -11.1833 58.4741 -336.878 PRESSAVG: 2443000 -17.9428 15.8679 66.5003 15.8679 31.209 34.3584 66.5002 34.3584 -6.24434 GPRESSAVG: 2443000 -18.0386 13.9969 65.682 13.5584 31.3681 34.1194 63.0514 35.1987 -5.50412 TIMING: 2443000 CPU: 7631.11, 0.00310609/step Wall: 7631.11, 0.00310609/step, 2.20618 hours remaining, 233.230469 MB of memory in use. ENERGY: 2443000 3978.7112 20490.8647 14478.7835 226.2853 -203058.2600 2406.2389 0.0000 0.0000 51693.7903 -109783.5862 297.0849 -161477.3765 -109432.0942 298.6617 -238.2552 -206.2030 761909.1214 2.3406 2.6084 PRESSURE: 2443200 -103.207 191.09 55.0513 191.09 101.886 82.3212 55.0516 82.3226 404.153 GPRESSURE: 2443200 -122.782 148.41 -10.6651 86.1213 32.3183 46.9215 107.066 -35.7786 566.545 PRESSAVG: 2443200 56.9963 -1.59723 38.091 -1.59723 -26.1934 23.2466 38.091 23.2465 11.5504 GPRESSAVG: 2443200 57.9838 -1.13996 40.0735 -0.0438344 -27.2336 24.3871 37.655 21.9838 11.8642 TIMING: 2443200 CPU: 7631.73, 0.00309928/step Wall: 7631.73, 0.00309928/step, 2.20118 hours remaining, 233.230469 MB of memory in use. ENERGY: 2443200 3947.9806 20613.2163 14464.2578 257.0165 -203493.3607 2743.6798 0.0000 0.0000 51921.1260 -109546.0837 298.3914 -161467.2097 -109174.2768 298.0652 134.2773 158.6937 761171.4294 14.1178 14.2048 PRESSURE: 2443400 -304.773 120.034 -240.931 120.034 8.16321 76.5756 -240.932 76.5751 -529.25 GPRESSURE: 2443400 -334.977 159.487 -240.964 40.5187 15.2648 100.6 -164.868 62.5964 -421.804 PRESSAVG: 2443400 -28.3022 17.7396 -7.18543 17.7397 34.824 3.48894 -7.18541 3.4889 23.5028 GPRESSAVG: 2443400 -29.3812 17.9318 -8.4513 17.4202 36.0775 2.03672 -5.04355 3.12543 23.263 TIMING: 2443400 CPU: 7632.36, 0.00311588/step Wall: 7632.36, 0.00311588/step, 2.21279 hours remaining, 233.230469 MB of memory in use. ENERGY: 2443400 3998.2285 20582.4962 14497.1995 255.0525 -203358.3858 2493.2620 0.0000 0.0000 51896.1598 -109635.9873 298.2479 -161532.1471 -109280.8083 298.2021 -275.2866 -247.1720 761157.6341 10.0082 9.9864 PRESSURE: 2443600 -204.094 -58.8728 66.2156 -58.8735 460.928 -45.1983 66.2158 -45.1987 254.473 GPRESSURE: 2443600 -136.455 -97.4572 37.7482 11.7639 420.405 -86.2811 136.721 -93.7388 292.128 PRESSAVG: 2443600 -56.911 7.06305 8.42396 7.063 34.29 58.5657 8.42396 58.5657 -6.09258 GPRESSAVG: 2443600 -54.7514 6.1406 7.91011 9.87829 32.7064 58.5662 7.79117 61.0101 -6.27124 TIMING: 2443600 CPU: 7632.98, 0.00311527/step Wall: 7632.98, 0.00311527/step, 2.21219 hours remaining, 233.230469 MB of memory in use. ENERGY: 2443600 3975.7014 20472.3590 14446.9113 251.5173 -203456.5644 2726.6780 0.0000 0.0000 51938.1989 -109645.1984 298.4895 -161583.3973 -109286.6506 298.1598 170.4357 192.0259 762543.8803 -9.5712 -9.4388 PRESSURE: 2443800 -237.125 205.766 91.2805 205.767 310.486 186.591 91.2806 186.59 366.589 GPRESSURE: 2443800 -128.768 236.776 112.594 126.899 294.561 134.882 31.6093 223.915 349.685 PRESSAVG: 2443800 -29.1247 49.6752 14.4856 49.6753 61.5279 42.0892 14.4856 42.0892 11.8506 GPRESSAVG: 2443800 -29.2731 50.9722 16.0532 45.9701 62.0742 43.5658 14.2926 40.2929 11.3891 TIMING: 2443800 CPU: 7633.6, 0.00310996/step Wall: 7633.6, 0.00310996/step, 2.20825 hours remaining, 233.230469 MB of memory in use. ENERGY: 2443800 3999.2341 20498.3682 14437.3130 238.7293 -203551.3622 3007.8805 0.0000 0.0000 51825.9657 -109543.8713 297.8445 -161369.8371 -109189.9018 298.0881 146.6500 171.8260 761362.5081 14.7513 14.7301 PRESSURE: 2444000 -515.658 -8.31702 14.5257 -8.31669 12.3385 234.917 14.5255 234.917 -229.032 GPRESSURE: 2444000 -458.649 -147.477 28.2797 -50.4508 48.8564 200.183 -9.81425 197.737 -234.889 PRESSAVG: 2444000 -48.3712 24.2805 15.3593 24.2805 47.3874 66.2513 15.3593 66.2513 11.3672 GPRESSAVG: 2444000 -49.5146 21.9712 15.1188 27.3882 47.8903 65.4036 14.3272 65.2076 11.4782 TIMING: 2444000 CPU: 7634.22, 0.00309651/step Wall: 7634.22, 0.00309651/step, 2.19852 hours remaining, 233.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2444000 3918.7083 20489.8883 14423.9824 244.8270 -203119.0205 2399.9222 0.0000 0.0000 51865.7508 -109775.9415 298.0732 -161641.6923 -109413.6448 298.1651 -244.1171 -214.8936 762437.9757 3.4611 3.2846 PRESSURE: 2444200 -646.594 -184.346 -131.284 -184.346 -311.223 -106.112 -131.284 -106.112 39.8031 GPRESSURE: 2444200 -581.211 0.996683 -139.875 -203.33 -274.843 -240.766 -97.4874 -179.58 22.5389 PRESSAVG: 2444200 -42.6056 51.5103 -21.788 51.5103 25.1368 -13.426 -21.788 -13.426 -8.88408 GPRESSAVG: 2444200 -42.0173 54.4249 -23.2296 50.8573 24.7493 -13.9596 -20.6933 -11.0428 -8.83133 TIMING: 2444200 CPU: 7634.84, 0.00309782/step Wall: 7634.84, 0.00309782/step, 2.19928 hours remaining, 233.230469 MB of memory in use. ENERGY: 2444200 3988.2467 20401.3070 14484.7887 261.6439 -203407.7372 2609.6422 0.0000 0.0000 51892.5029 -109769.6059 298.2269 -161662.1088 -109420.0337 298.2138 -306.0045 -277.8384 763595.8146 -8.7843 -8.6998 LDB: ============= START OF LOAD BALANCING ============== 7647.32 LDB: ============== END OF LOAD BALANCING =============== 7647.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7647.32 LDB: ============= START OF LOAD BALANCING ============== 7647.63 LDB: Largest compute 7031 load 0.029866 is 15.3% of average load 0.195175 LDB: Average compute 0.004391 is 2.2% of average load 0.195175 LDB: TIME 7647.64 LOAD: AVG 0.195175 MAX 0.218414 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.277 MB LDB: TIME 7647.64 LOAD: AVG 0.195175 MAX 0.218414 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.277 MB LDB: TIME 7647.64 LOAD: AVG 0.195175 MAX 0.217674 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.277 MB LDB: ============== END OF LOAD BALANCING =============== 7647.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7647.64 PRESSURE: 2444400 -21.682 60.8901 -145.944 60.8891 33.2289 39.8846 -145.944 39.8836 156.013 GPRESSURE: 2444400 50.3691 -46.7495 -220.63 -60.3714 118.034 32.1558 -99.6664 75.5642 85.6452 PRESSAVG: 2444400 -59.2748 -28.1953 -16.2734 -28.1953 14.5689 53.7826 -16.2734 53.7826 6.42779 GPRESSAVG: 2444400 -58.5898 -30.1733 -16.0166 -29.6469 13.1729 54.9932 -15.0589 51.5936 7.13799 TIMING: 2444400 CPU: 7635.48, 0.00318885/step Wall: 7635.48, 0.00318885/step, 2.26373 hours remaining, 233.742188 MB of memory in use. ENERGY: 2444400 4008.7162 20402.1609 14539.6022 257.0052 -203536.7366 2775.2916 0.0000 0.0000 52176.8724 -109377.0880 299.8612 -161553.9604 -109009.0774 298.2925 55.8532 84.6829 762490.4379 -12.7594 -12.7596 PRESSURE: 2444600 -23.6719 -96.5772 -49.8388 -96.5784 283.137 77.7589 -49.8396 77.7585 175.624 GPRESSURE: 2444600 -4.59598 -247.196 12.3948 -145.069 334.493 91.7749 -82.3571 84.8164 178.849 PRESSAVG: 2444600 29.583 5.89417 22.2661 5.89421 -49.1435 21.2796 22.266 21.2796 33.5698 GPRESSAVG: 2444600 28.8093 4.29421 22.4614 7.56899 -47.411 19.183 22.6059 20.9522 32.7232 TIMING: 2444600 CPU: 7636.1, 0.0031132/step Wall: 7636.1, 0.0031132/step, 2.20986 hours remaining, 233.742188 MB of memory in use. ENERGY: 2444600 3914.3325 20482.3790 14495.5448 245.6857 -203452.3432 2824.4326 0.0000 0.0000 52025.0153 -109464.9533 298.9885 -161489.9686 -109094.9438 298.9417 145.0297 169.5820 762844.5997 4.6698 4.7072 PRESSURE: 2444800 48.9115 -0.957375 203.087 -0.957496 -224.31 13.8444 203.087 13.8441 -192.221 GPRESSURE: 2444800 128.271 -6.45384 187.756 56.6737 -141.466 -22.2595 198.742 5.1846 -268.842 PRESSAVG: 2444800 2.0405 52.0844 19.9545 52.0844 24.9344 -50.8098 19.9544 -50.8098 -9.36855 GPRESSAVG: 2444800 2.90399 55.1529 21.9538 50.7266 23.7958 -49.7865 15.005 -50.3569 -9.02242 TIMING: 2444800 CPU: 7636.72, 0.00309452/step Wall: 7636.72, 0.00309452/step, 2.19642 hours remaining, 233.742188 MB of memory in use. ENERGY: 2444800 4033.5447 20415.3961 14488.2458 252.1125 -203372.9556 2525.1642 0.0000 0.0000 52054.3995 -109604.0928 299.1573 -161658.4923 -109238.9415 299.0821 -122.5401 -94.0125 762411.1821 5.8688 5.8925 PRESSURE: 2445000 260.059 -159.055 -282.621 -159.054 124.267 14.5435 -282.62 14.5445 -190.776 GPRESSURE: 2445000 239.488 -148.913 -178.917 -98.7768 170.605 -38.6217 -379.431 117.549 -101.652 PRESSAVG: 2445000 32.572 15.7905 -35.6683 15.7906 -3.20954 -17.4564 -35.6684 -17.4565 6.74448 GPRESSAVG: 2445000 31.6582 14.6601 -36.5938 15.7191 -2.04625 -17.1136 -33.9287 -15.1457 6.19017 TIMING: 2445000 CPU: 7637.34, 0.00310818/step Wall: 7637.34, 0.00310818/step, 2.20594 hours remaining, 233.742188 MB of memory in use. ENERGY: 2445000 3975.3602 20457.2835 14471.6664 250.2416 -203430.4946 2819.2090 0.0000 0.0000 51731.0837 -109725.6502 297.2992 -161456.7339 -109368.5972 298.3570 64.5167 102.8137 760873.4473 12.0357 11.9340 PRESSURE: 2445200 -325.318 -170.322 -45.5472 -170.322 -29.7014 -3.4828 -45.5466 -3.48323 -260.642 GPRESSURE: 2445200 -345.141 -158.978 -61.6852 -141.519 9.67063 -108.484 39.681 -11.703 -175.983 PRESSAVG: 2445200 -14.6024 -5.16935 57.5808 -5.16934 9.81712 -21.4727 57.5808 -21.4727 -12.1821 GPRESSAVG: 2445200 -14.2836 -3.57915 57.4274 -4.89982 9.7227 -21.751 58.798 -24.3128 -11.8587 TIMING: 2445200 CPU: 7637.96, 0.00310038/step Wall: 7637.96, 0.00310038/step, 2.20024 hours remaining, 233.742188 MB of memory in use. ENERGY: 2445200 3989.9780 20580.5714 14414.9336 230.2717 -203344.4228 2635.4037 0.0000 0.0000 51912.5799 -109580.6845 298.3423 -161493.2644 -109213.6723 298.4386 -205.2205 -170.4845 762914.6674 -5.6558 -5.4732 PRESSURE: 2445400 -102.503 -234.945 -104.19 -234.945 -446.183 71.2153 -104.19 71.2161 -193.769 GPRESSURE: 2445400 -29.9183 -215.802 -76.5478 -322.282 -403.355 199.988 -123.387 -55.0812 -217.371 PRESSAVG: 2445400 -59.5134 26.4778 25.5675 26.4778 32.9994 -57.895 25.5674 -57.8951 -9.17285 GPRESSAVG: 2445400 -59.83 26.4868 24.7934 27.105 33.4836 -57.3618 26.1425 -58.7863 -8.78763 TIMING: 2445400 CPU: 7638.59, 0.00311317/step Wall: 7638.59, 0.00311317/step, 2.20914 hours remaining, 233.742188 MB of memory in use. ENERGY: 2445400 4023.1985 20594.9057 14481.0422 245.3210 -203806.4821 2980.0323 0.0000 0.0000 51992.7992 -109489.1832 298.8033 -161481.9823 -109138.0471 299.2309 -247.4850 -216.8816 761347.9420 -11.8956 -11.7113 PRESSURE: 2445600 19.8021 113.018 0.386819 113.018 -45.9134 3.02533 0.386067 3.02537 -212.514 GPRESSURE: 2445600 45.7737 171.098 -0.23275 -40.2821 -18.5681 61.5271 -26.1341 44.5117 -182.789 PRESSAVG: 2445600 -7.37559 104.899 -4.52703 104.899 -2.54022 2.45403 -4.52702 2.45412 -17.4238 GPRESSAVG: 2445600 -8.11118 105.03 -4.25395 102.652 -3.2944 0.923736 -3.77186 5.31441 -16.6233 TIMING: 2445600 CPU: 7639.21, 0.0031149/step Wall: 7639.21, 0.0031149/step, 2.21019 hours remaining, 233.742188 MB of memory in use. ENERGY: 2445600 4003.9709 20530.3348 14497.9178 246.7160 -203548.2031 2788.7342 0.0000 0.0000 52101.5611 -109378.9683 299.4284 -161480.5294 -109005.1494 299.3347 -79.5419 -51.8610 762512.4851 -9.1132 -9.3429 PRESSURE: 2445800 366.269 -125.332 -15.2773 -125.332 -109.425 -68.0428 -15.2782 -68.0428 338.235 GPRESSURE: 2445800 347.441 -79.3652 16.4883 -89.0572 -52.8176 -20.1017 97.7992 -48.5396 379.97 PRESSAVG: 2445800 -1.49088 31.992 11.1827 31.992 27.3831 4.85282 11.1827 4.85278 0.424416 GPRESSAVG: 2445800 -0.77594 30.0531 8.99833 35.5408 26.7574 5.65707 11.1545 3.42516 0.0274224 TIMING: 2445800 CPU: 7639.83, 0.00310798/step Wall: 7639.83, 0.00310798/step, 2.20511 hours remaining, 233.742188 MB of memory in use. ENERGY: 2445800 3924.9437 20484.9892 14473.8996 238.8865 -203583.9431 2579.0491 0.0000 0.0000 52358.6180 -109523.5570 300.9057 -161882.1750 -109148.8517 298.8648 198.3595 224.8646 760520.3465 8.7722 8.6696 PRESSURE: 2446000 341.332 -137.02 -114.214 -137.021 220.279 40.1607 -114.214 40.1621 -56.8343 GPRESSURE: 2446000 381.043 65 -62.4928 -125.688 237.449 29.6197 -111.699 -88.3886 -16.7041 PRESSAVG: 2446000 -4.43842 12.9316 -28.0319 12.9316 -1.05438 2.50269 -28.0319 2.50266 -8.79199 GPRESSAVG: 2446000 -4.14497 14.3677 -25.7236 12.4932 -0.888637 1.67339 -28.6358 3.01766 -9.28237 TIMING: 2446000 CPU: 7640.46, 0.00313617/step Wall: 7640.46, 0.00313617/step, 2.22494 hours remaining, 233.742188 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: 2446000 3994.2865 20690.9527 14455.8936 244.2492 -203900.2650 2993.7919 0.0000 0.0000 52176.4306 -109344.6605 299.8587 -161521.0910 -108992.7850 299.0367 168.2589 200.5959 760741.7539 -4.7616 -4.7720 PRESSURE: 2446200 -44.4091 -25.9326 -3.92012 -25.9328 139.245 120.162 -3.91956 120.161 351.703 GPRESSURE: 2446200 -42.0066 -113.769 35.7826 -65.9197 200.937 98.2413 -152.575 106.75 353.445 PRESSAVG: 2446200 -34.0668 -33.1204 -9.68482 -33.1204 -14.1629 29.797 -9.68487 29.797 17.303 GPRESSAVG: 2446200 -35.0011 -34.415 -10.4946 -34.0307 -12.7127 32.6659 -10.1678 27.6634 17.3183 TIMING: 2446200 CPU: 7641.08, 0.00313806/step Wall: 7641.08, 0.00313806/step, 2.2261 hours remaining, 233.742188 MB of memory in use. ENERGY: 2446200 3889.8163 20495.6268 14494.9236 245.1469 -203381.5388 2693.7973 0.0000 0.0000 52087.7937 -109474.4343 299.3493 -161562.2280 -109103.5023 299.1234 148.8461 170.7918 763033.1410 -10.3089 -10.1318 PRESSURE: 2446400 -18.6584 -52.3742 -13.6972 -52.3745 -93.1757 50.41 -13.6963 50.4099 207.61 GPRESSURE: 2446400 2.20252 -45.0116 35.2853 -69.9479 57.7367 110.097 -8.1908 42.3982 103.008 PRESSAVG: 2446400 28.3934 68.2234 -50.1711 68.2233 -6.13765 37.218 -50.1711 37.2179 8.82501 GPRESSAVG: 2446400 28.4732 67.3475 -47.0253 69.7036 -6.8269 34.3066 -52.281 41.569 9.19191 TIMING: 2446400 CPU: 7641.71, 0.00311775/step Wall: 7641.71, 0.00311775/step, 2.21153 hours remaining, 233.742188 MB of memory in use. ENERGY: 2446400 3966.1178 20780.1041 14461.3281 270.4452 -203387.8229 2559.7847 0.0000 0.0000 51919.2734 -109430.7695 298.3808 -161350.0429 -109080.1344 299.1086 31.9252 54.3159 761236.8040 10.3602 10.2794 PRESSURE: 2446600 -16.2993 -95.2476 -159.19 -95.2478 -144.263 -216.366 -159.19 -216.365 -418.326 GPRESSURE: 2446600 13.4089 -117.532 -132.884 -95.0552 -110.935 -97.0942 -136.773 -58.0145 -401.367 PRESSAVG: 2446600 -6.19761 49.7911 -23.0194 49.7911 21.7133 -5.47008 -23.0194 -5.47012 2.78608 GPRESSAVG: 2446600 -5.63762 51.6203 -24.4135 46.9742 20.7875 -3.38067 -20.8429 -7.23194 2.79209 TIMING: 2446600 CPU: 7642.33, 0.00310549/step Wall: 7642.33, 0.00310549/step, 2.20265 hours remaining, 233.742188 MB of memory in use. ENERGY: 2446600 4040.4208 20549.4376 14547.3790 270.6344 -203010.8060 2291.5692 0.0000 0.0000 51844.8030 -109466.5622 297.9528 -161311.3652 -109105.0048 298.8826 -192.9626 -166.2976 761275.1497 6.1006 5.9807 PRESSURE: 2446800 4.8027 45.1745 -82.9368 45.1749 -13.5177 33.5429 -82.9368 33.5432 2.93115 GPRESSURE: 2446800 -56.756 150.992 18.1488 -32.4115 10.6584 -87.9116 -168.965 -74.0699 112.923 PRESSAVG: 2446800 41.8275 -37.4737 6.08262 -37.4737 -14.0856 -11.4031 6.08261 -11.403 -16.5987 GPRESSAVG: 2446800 41.0844 -35.9687 3.84595 -36.7788 -14.1532 -12.529 6.45481 -11.4006 -15.6256 TIMING: 2446800 CPU: 7642.95, 0.0031051/step Wall: 7642.95, 0.0031051/step, 2.20221 hours remaining, 233.742188 MB of memory in use. ENERGY: 2446800 4075.0640 20605.5372 14449.5134 238.7609 -203473.1394 2690.1854 0.0000 0.0000 52043.7281 -109370.3504 299.0960 -161414.0785 -109005.6287 299.2725 -1.9280 22.2750 761566.8256 3.7144 3.7686 PRESSURE: 2447000 101.411 -48.3124 82.6909 -48.3135 -179.955 -10.1148 82.6906 -10.1145 -287.402 GPRESSURE: 2447000 117.345 -79.6689 88.0648 -15.7287 -174.025 3.67535 80.1907 -1.33623 -231.856 PRESSAVG: 2447000 20.5234 -69.9227 -6.15572 -69.9228 -34.8131 -66.1228 -6.15563 -66.1228 -12.7086 GPRESSAVG: 2447000 20.775 -72.0549 -2.99107 -69.3738 -33.9601 -66.5348 -6.43791 -63.262 -14.0783 TIMING: 2447000 CPU: 7643.57, 0.00310879/step Wall: 7643.57, 0.00310879/step, 2.20465 hours remaining, 233.742188 MB of memory in use. ENERGY: 2447000 4004.2010 20723.3904 14584.5125 252.7293 -203161.1893 2502.3966 0.0000 0.0000 51705.8764 -109388.0831 297.1544 -161093.9596 -109031.9415 299.3158 -121.9820 -96.1786 763487.6531 -8.9994 -9.0878 PRESSURE: 2447200 -54.1688 49.8702 18.0656 49.869 277.579 -217.262 18.0655 -217.261 -142.321 GPRESSURE: 2447200 -19.1146 20.4281 -63.4913 71.3157 286.281 -123.644 -14.8158 -305.268 -100.162 PRESSAVG: 2447200 18.8212 7.31984 -21.5454 7.31987 -33.7517 -30.5944 -21.5454 -30.5944 -20.3946 GPRESSAVG: 2447200 19.4168 8.7201 -24.693 7.12409 -35.1466 -28.4566 -21.9126 -35.8848 -19.0934 TIMING: 2447200 CPU: 7644.2, 0.00312531/step Wall: 7644.2, 0.00312531/step, 2.21619 hours remaining, 233.742188 MB of memory in use. ENERGY: 2447200 4009.8908 20590.0564 14499.6668 238.9770 -203793.2848 3206.9665 0.0000 0.0000 51989.6130 -109258.1144 298.7850 -161247.7273 -108899.6701 298.8764 27.0298 55.6683 763955.0842 -11.7750 -11.6077 PRESSURE: 2447400 -37.0722 -153.463 52.8373 -153.463 -73.6102 30.0244 52.837 30.0236 -333.327 GPRESSURE: 2447400 -91.6777 -149.647 13.5061 -83.8515 -38.436 -101.929 18.3677 217.029 -244.208 PRESSAVG: 2447400 -5.28037 75.3503 -39.759 75.3503 33.5667 -20.6109 -39.759 -20.6109 13.2457 GPRESSAVG: 2447400 -5.70553 73.8611 -36.0054 75.4225 35.2757 -22.3452 -41.1995 -16.1441 12.119 TIMING: 2447400 CPU: 7644.82, 0.00311386/step Wall: 7644.82, 0.00311386/step, 2.2079 hours remaining, 233.742188 MB of memory in use. ENERGY: 2447400 3997.1398 20690.7194 14517.5732 249.8027 -203829.3003 2981.6939 0.0000 0.0000 52238.4429 -109153.9283 300.2150 -161392.3712 -108792.1095 299.8978 -148.0033 -124.7739 762831.8264 13.8440 13.8964 PRESSURE: 2447600 -478.13 49.3577 -30.7927 49.3584 -109.898 -29.2867 -30.7924 -29.2866 -177.191 GPRESSURE: 2447600 -455.879 85.5816 -102.937 67.5025 -89.2086 8.62072 -5.29123 46.6713 -139.565 PRESSAVG: 2447600 18.0209 38.4619 -43.4364 38.4619 -14.5299 -25.3919 -43.4364 -25.3918 -16.1426 GPRESSAVG: 2447600 17.7558 37.8013 -44.7007 39.4846 -14.2528 -24.4415 -43.3852 -27.2001 -16.0669 TIMING: 2447600 CPU: 7645.44, 0.00309985/step Wall: 7645.44, 0.00309985/step, 2.1978 hours remaining, 233.742188 MB of memory in use. ENERGY: 2447600 3992.9170 20573.0179 14474.5350 249.6541 -203414.7430 2910.0118 0.0000 0.0000 51919.5174 -109295.0898 298.3822 -161214.6072 -108921.4675 299.5013 -255.0733 -228.2175 761622.9191 -4.2172 -4.1880 PRESSURE: 2447800 -182.189 -268.125 61.5531 -268.125 20.5561 -187.58 61.5531 -187.58 146.375 GPRESSURE: 2447800 -135.848 -287.187 109.383 -155.002 65.7742 -83.344 70.0748 -59.162 139.836 PRESSAVG: 2447800 -39.1438 4.17261 20.7326 4.17263 5.66263 -32.4185 20.7326 -32.4185 -3.92713 GPRESSAVG: 2447800 -39.3975 6.27136 19.7783 3.43742 6.09373 -32.8805 22.9206 -33.4372 -4.21261 TIMING: 2447800 CPU: 7646.06, 0.00310179/step Wall: 7646.06, 0.00310179/step, 2.199 hours remaining, 233.742188 MB of memory in use. ENERGY: 2447800 3980.4953 20456.2063 14489.0348 241.9502 -203595.6248 3000.4229 0.0000 0.0000 51837.9803 -109589.5349 297.9136 -161427.5153 -109221.4701 298.9481 -5.0860 23.2538 761495.8763 -12.4694 -12.5055 PRESSURE: 2448000 -189.482 -32.9318 -46.1491 -32.9316 -99.1965 123.382 -46.1501 123.383 -255.148 GPRESSURE: 2448000 -48.1391 -74.0284 -5.28706 39.817 -73.7921 168.546 67.6015 109.431 -322.545 PRESSAVG: 2448000 -7.12963 -24.498 -16.3588 -24.498 10.504 -16.5829 -16.3588 -16.5828 -9.27937 GPRESSAVG: 2448000 -6.72528 -23.7662 -16.0937 -25.2983 10.0986 -16.7038 -16.4 -16.8092 -9.6107 TIMING: 2448000 CPU: 7646.68, 0.00310528/step Wall: 7646.68, 0.00310528/step, 2.2013 hours remaining, 233.742188 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: 2448000 3992.2226 20529.9949 14411.9308 225.0504 -203641.0794 2879.5832 0.0000 0.0000 51946.8142 -109655.4834 298.5391 -161602.2975 -109290.3574 298.2010 -181.2753 -148.1588 762363.7478 -1.9683 -2.0791 PRESSURE: 2448200 209.019 -97.8349 -80.3049 -97.8357 -61.9602 -78.1585 -80.3049 -78.1589 263.682 GPRESSURE: 2448200 272.691 -213.72 -52.9507 -76.0291 -17.9708 -71.0524 -24.8568 -20.0963 231.919 PRESSAVG: 2448200 -8.31151 -13.04 23.7532 -13.04 -38.0281 25.4614 23.7532 25.4615 -40.1751 GPRESSAVG: 2448200 -7.72396 -14.9442 24.7896 -12.1203 -39.6181 26.1319 23.5939 25.6548 -39.1742 TIMING: 2448200 CPU: 7647.3, 0.0030953/step Wall: 7647.3, 0.0030953/step, 2.19405 hours remaining, 233.742188 MB of memory in use. ENERGY: 2448200 3922.7627 20563.9226 14429.6822 243.5878 -203510.1962 2787.1905 0.0000 0.0000 52206.7740 -109356.2764 300.0330 -161563.0504 -108988.0448 298.1104 136.9137 162.2129 765340.5106 -28.8382 -28.8387 LDB: ============= START OF LOAD BALANCING ============== 7659.78 LDB: ============== END OF LOAD BALANCING =============== 7659.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7659.78 LDB: ============= START OF LOAD BALANCING ============== 7660.09 LDB: Largest compute 7031 load 0.030103 is 15.4% of average load 0.195100 LDB: Average compute 0.004385 is 2.2% of average load 0.195100 LDB: TIME 7660.09 LOAD: AVG 0.1951 MAX 0.215848 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.766 MB LDB: TIME 7660.09 LOAD: AVG 0.1951 MAX 0.215848 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.965 MB LDB: TIME 7660.09 LOAD: AVG 0.1951 MAX 0.215848 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.965 MB LDB: ============== END OF LOAD BALANCING =============== 7660.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7660.1 PRESSURE: 2448400 250.129 102.538 188.796 102.538 10.16 241.564 188.796 241.563 -418.312 GPRESSURE: 2448400 228.947 51.0971 160.16 179.264 40.3721 182.469 91.627 189.56 -345.729 PRESSAVG: 2448400 -29.0647 -0.676702 45.5698 -0.676719 3.90899 13.1464 45.5698 13.1464 -2.12694 GPRESSAVG: 2448400 -30.0405 1.30144 44.8217 -2.04949 4.81337 11.5885 45.3578 12.6282 -1.36837 TIMING: 2448400 CPU: 7647.93, 0.00315916/step Wall: 7647.93, 0.00315916/step, 2.23914 hours remaining, 234.253906 MB of memory in use. ENERGY: 2448400 3977.5993 20561.1878 14509.7207 245.1583 -203655.8662 2954.5493 0.0000 0.0000 51952.3966 -109455.2542 298.5711 -161407.6508 -109093.5372 298.6793 -52.6742 -25.4701 764487.4706 -9.0942 -8.8652 PRESSURE: 2448600 -194.442 60.6358 -118.274 60.6363 -95.9146 191.954 -118.274 191.955 266.091 GPRESSURE: 2448600 -176.588 76.3809 -111.049 198.191 -38.9651 161.522 -130.104 168.771 234.227 PRESSAVG: 2448600 -64.4132 56.1894 -15.0469 56.1894 69.6226 59.209 -15.0469 59.209 -0.69872 GPRESSAVG: 2448600 -63.8205 53.2175 -15.1988 58.1926 69.9341 59.3391 -15.6888 58.5342 -1.15972 TIMING: 2448600 CPU: 7648.55, 0.0030902/step Wall: 7648.55, 0.0030902/step, 2.1901 hours remaining, 234.253906 MB of memory in use. ENERGY: 2448600 4052.3310 20558.1252 14448.0257 241.4350 -203409.8277 2685.9315 0.0000 0.0000 52175.7471 -109248.2321 299.8547 -161423.9792 -108872.8617 298.9074 -8.0883 6.2248 765009.0148 1.5036 1.6513 PRESSURE: 2448800 -22.9467 -6.21633 -71.6092 -6.21662 -76.2712 137.216 -71.6088 137.215 86.4468 GPRESSURE: 2448800 -61.7944 25.2345 -75.6209 -13.163 16.841 149.199 8.44693 204.051 102.341 PRESSAVG: 2448800 21.1891 9.69201 29.033 9.69198 14.5997 25.1794 29.033 25.1794 -29.2959 GPRESSAVG: 2448800 21.1183 12.949 29.6234 6.19964 14.8741 24.2538 30.6392 28.4225 -29.1533 TIMING: 2448800 CPU: 7649.17, 0.00307858/step Wall: 7649.17, 0.00307858/step, 2.18169 hours remaining, 234.253906 MB of memory in use. ENERGY: 2448800 3963.5477 20660.9691 14422.8995 236.0494 -203440.2627 2820.8367 0.0000 0.0000 52160.3574 -109175.6031 299.7663 -161335.9604 -108812.7791 299.0807 -4.2571 19.1291 764739.0091 2.1643 2.2797 PRESSURE: 2449000 141.514 217.436 245.488 217.436 175.935 98.8368 245.488 98.8365 165.636 GPRESSURE: 2449000 130.791 13.5589 251.356 224.8 207.576 135.689 333.2 125.662 239.328 PRESSAVG: 2449000 -6.51613 -37.0906 -2.79068 -37.0906 6.79073 -47.6107 -2.79074 -47.6107 42.2404 GPRESSAVG: 2449000 -6.16443 -42.3586 -4.75962 -34.89 6.73044 -45.9184 -1.04006 -51.9676 42.1544 TIMING: 2449000 CPU: 7649.78, 0.00309144/step Wall: 7649.78, 0.00309144/step, 2.19063 hours remaining, 234.253906 MB of memory in use. ENERGY: 2449000 4031.1425 20563.4561 14476.5107 246.3004 -203333.6545 2858.3628 0.0000 0.0000 52195.3150 -108962.5671 299.9672 -161157.8821 -108606.2810 299.6378 161.0284 192.5650 762265.8818 14.1717 14.2401 PRESSURE: 2449200 -93.3664 -199.882 16.1241 -199.883 -105.135 -75.4212 16.1249 -75.4213 -205.749 GPRESSURE: 2449200 -20.2158 -252.362 -59.0643 -159.95 -91.6963 -115.219 70.762 -18.303 -201.073 PRESSAVG: 2449200 -32.8175 -25.5513 37.2785 -25.5513 53.4841 17.1047 37.2785 17.1046 1.41137 GPRESSAVG: 2449200 -33.3005 -22.4184 37.3772 -25.7654 52.966 15.7163 38.2272 19.0416 2.47265 TIMING: 2449200 CPU: 7650.4, 0.00309652/step Wall: 7650.4, 0.00309652/step, 2.19406 hours remaining, 234.253906 MB of memory in use. ENERGY: 2449200 4010.5940 20577.3197 14556.2419 252.3048 -203168.6003 2708.0643 0.0000 0.0000 52051.7364 -109012.3390 299.1420 -161064.0755 -108644.5931 299.7206 -134.7502 -104.3282 763164.3560 7.3593 7.3794 PRESSURE: 2449400 -329.135 94.537 5.77857 94.5363 -232.299 165.158 5.7787 165.159 14.0962 GPRESSURE: 2449400 -277.14 2.1857 -58.9065 6.36814 -123.075 217.114 26.9559 67.5346 -71.8051 PRESSAVG: 2449400 -15.3468 -14.7857 -25.0895 -14.7857 4.53619 6.8194 -25.0895 6.81937 -5.58301 GPRESSAVG: 2449400 -15.6084 -14.8822 -23.3925 -15.2277 5.43503 7.5052 -29.4008 8.59221 -6.38927 TIMING: 2449400 CPU: 7651.02, 0.00309913/step Wall: 7651.02, 0.00309913/step, 2.19573 hours remaining, 234.253906 MB of memory in use. ENERGY: 2449400 4038.6965 20579.1753 14540.0530 247.6510 -203485.3138 2785.0372 0.0000 0.0000 52195.0089 -109099.6918 299.9654 -161294.7007 -108728.4369 299.7477 -182.4461 -157.3401 762172.5386 -5.4646 -5.5209 PRESSURE: 2449600 160.78 -69.0562 -217.966 -69.0564 72.4454 -137.341 -217.966 -137.341 282.714 GPRESSURE: 2449600 249.993 -165.973 -167.211 -80.9076 171.019 -189.457 -240.178 -160.514 180.214 PRESSAVG: 2449600 22.8017 -9.91309 -9.31726 -9.91307 -27.4065 13.1757 -9.31724 13.1756 22.4929 GPRESSAVG: 2449600 23.5124 -8.56982 -8.60389 -10.6029 -27.7535 13.3459 -7.99658 11.243 22.1808 TIMING: 2449600 CPU: 7651.64, 0.00309264/step Wall: 7651.64, 0.00309264/step, 2.19097 hours remaining, 234.253906 MB of memory in use. ENERGY: 2449600 3954.7982 20566.0586 14536.9909 258.2678 -203839.1998 3204.4747 0.0000 0.0000 52258.0125 -109060.5970 300.3275 -161318.6095 -108694.8915 300.3900 171.9799 200.4089 761962.1992 5.9627 5.9799 PRESSURE: 2449800 484.28 -59.7119 -33.392 -59.7115 406.378 -27.9284 -33.3919 -27.929 148.647 GPRESSURE: 2449800 439.53 4.86135 -64.9433 -14.9629 412.34 -46.2774 9.47531 -131.181 276.445 PRESSAVG: 2449800 -20.0753 6.51683 -17.8804 6.51685 32.0075 -17.734 -17.8805 -17.7339 -0.262302 GPRESSAVG: 2449800 -19.4584 3.92008 -19.3289 6.3899 32.0226 -18.7496 -17.6103 -16.5309 -0.345012 TIMING: 2449800 CPU: 7652.26, 0.00309375/step Wall: 7652.26, 0.00309375/step, 2.19157 hours remaining, 234.253906 MB of memory in use. ENERGY: 2449800 3974.0302 20496.2378 14440.4369 261.7296 -203332.7410 2836.7042 0.0000 0.0000 52116.7033 -109206.8990 299.5154 -161323.6023 -108850.5057 299.3609 346.4350 376.1052 760901.6810 3.8900 4.0731 PRESSURE: 2450000 75.6464 -172.45 82.2413 -172.45 29.0258 -23.5557 82.2421 -23.5542 -212.062 GPRESSURE: 2450000 10.9446 -92.6598 120.945 -261.029 173.969 -28.2667 33.4042 12.6399 -224.956 PRESSAVG: 2450000 10.0777 22.3945 9.08741 22.3946 -1.84702 66.1261 9.0874 66.1262 33.8971 GPRESSAVG: 2450000 10.4459 23.1683 8.5544 23.5487 -2.52584 67.8954 7.98311 64.9389 33.8822 TIMING: 2450000 CPU: 7652.88, 0.00308512/step Wall: 7652.88, 0.00308512/step, 2.18529 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2450000 3974.4172 20466.6268 14476.1063 257.3208 -204026.3690 3132.2274 0.0000 0.0000 52367.9513 -109351.7193 300.9593 -161719.6706 -108985.5467 299.7382 -35.7965 -13.3477 760347.6228 14.0426 13.9341 PRESSURE: 2450200 316.644 34.0487 -259.296 34.0483 -278.637 97.227 -259.296 97.2276 118.719 GPRESSURE: 2450200 354.789 66.8095 -284.752 -8.33838 -158.526 87.7924 -90.9404 162.081 38.206 PRESSAVG: 2450200 -1.53864 -6.97383 -2.35155 -6.97382 -15.8034 56.7302 -2.35153 56.7302 -14.0817 GPRESSAVG: 2450200 -3.5631 -5.03494 -1.66184 -8.40146 -13.7045 55.3426 -0.37763 60.0102 -14.0932 TIMING: 2450200 CPU: 7653.5, 0.00308715/step Wall: 7653.5, 0.00308715/step, 2.18656 hours remaining, 234.253906 MB of memory in use. ENERGY: 2450200 3931.9343 20370.0639 14408.8899 254.9280 -203436.1333 2870.2265 0.0000 0.0000 52178.8467 -109421.2440 299.8725 -161600.0907 -109064.8122 299.6784 52.2421 78.1561 760341.4538 -10.4746 -10.4536 PRESSURE: 2450400 -178.403 119.307 108.069 119.307 77.4763 43.7044 108.067 43.7042 -165.928 GPRESSURE: 2450400 -133.67 70.1225 125.176 -1.97904 65.5018 -0.439665 42.8992 71.9063 -137.963 PRESSAVG: 2450400 38.1571 7.94466 69.3606 7.94464 35.2134 4.30325 69.3607 4.3032 -9.40237 GPRESSAVG: 2450400 38.3231 6.2609 70.8779 7.37613 35.2242 4.90928 66.4491 1.62656 -9.6868 TIMING: 2450400 CPU: 7654.12, 0.00310659/step Wall: 7654.12, 0.00310659/step, 2.20016 hours remaining, 234.253906 MB of memory in use. ENERGY: 2450400 4093.8617 20542.8854 14437.6188 243.4405 -203331.7008 2784.9180 0.0000 0.0000 51751.7536 -109477.2228 297.4180 -161228.9764 -109116.3136 299.0364 -88.9516 -68.7104 761350.8928 21.3227 21.2868 PRESSURE: 2450600 290.7 194.966 97.2699 194.966 -76.5105 -68.7109 97.2705 -68.7104 -166.011 GPRESSURE: 2450600 310.234 115.272 103.042 180.534 -108.638 -35.5211 97.316 -68.4333 -74.1757 PRESSAVG: 2450600 -2.85189 2.48412 39.5958 2.48411 29.0184 -24.3212 39.5958 -24.3212 13.5458 GPRESSAVG: 2450600 -2.34396 4.15228 36.9633 2.61962 27.9239 -24.6711 40.554 -25.0317 13.9336 TIMING: 2450600 CPU: 7654.74, 0.00310423/step Wall: 7654.74, 0.00310423/step, 2.19832 hours remaining, 234.253906 MB of memory in use. ENERGY: 2450600 4012.0270 20516.7026 14479.0932 246.6917 -203499.1831 2720.5264 0.0000 0.0000 51975.1130 -109549.0292 298.7017 -161524.1423 -109186.1032 298.7518 16.0596 42.4735 761815.3503 13.2374 13.1712 PRESSURE: 2450800 -14.5029 -246.058 47.2783 -246.058 -120.67 92.8755 47.2787 92.876 -52.1967 GPRESSURE: 2450800 112.397 -287.011 27.17 -148.604 -113.228 104.666 66.1928 86.462 -108.582 PRESSAVG: 2450800 -29.214 -29.9482 31.6485 -29.9482 41.4437 2.69571 31.6485 2.69575 1.95837 GPRESSAVG: 2450800 -28.266 -31.1554 32.9908 -29.1588 40.769 2.84232 30.8711 3.33416 1.944 TIMING: 2450800 CPU: 7655.36, 0.00308893/step Wall: 7655.36, 0.00308893/step, 2.18731 hours remaining, 234.253906 MB of memory in use. ENERGY: 2450800 4023.1944 20395.7091 14442.3357 230.5041 -203576.6724 3116.0941 0.0000 0.0000 51751.8362 -109616.9988 297.4185 -161368.8350 -109274.4683 298.5239 -62.4566 -36.4712 762911.7901 4.7293 4.8157 PRESSURE: 2451000 139.275 -31.9304 204.112 -31.9318 -141.84 319.489 204.111 319.489 -155.9 GPRESSURE: 2451000 27.9444 23.4128 182.147 -58.7399 -33.1904 378.754 101.881 335.698 -73.1138 PRESSAVG: 2451000 1.2228 47.9718 20.8151 47.9718 29.2368 39.2756 20.8151 39.2756 -18.9641 GPRESSAVG: 2451000 0.641131 45.9774 20.4683 49.7557 29.8991 39.3074 21.9295 42.1503 -19.2836 TIMING: 2451000 CPU: 7655.98, 0.00311328/step Wall: 7655.98, 0.00311328/step, 2.20438 hours remaining, 234.253906 MB of memory in use. ENERGY: 2451000 3980.8009 20413.5102 14509.5778 245.3639 -203231.1451 2755.1904 0.0000 0.0000 51933.0912 -109393.6106 298.4602 -161326.7019 -109034.0691 298.5850 -52.8215 -26.1199 764565.0363 3.8318 3.7522 PRESSURE: 2451200 -232.232 -15.7707 85.4021 -15.7697 -197.421 163.98 85.4012 163.98 -101.082 GPRESSURE: 2451200 -190.61 42.8265 73.2623 20.0481 -107.966 227.871 -53.0066 193.118 -159.276 PRESSAVG: 2451200 -21.7288 -16.0255 -26.7885 -16.0255 2.33891 -0.665123 -26.7885 -0.665045 13.8421 GPRESSAVG: 2451200 -21.62 -14.2494 -26.9162 -18.0809 1.70288 1.20359 -27.8907 -1.17698 14.0715 TIMING: 2451200 CPU: 7656.6, 0.00310162/step Wall: 7656.6, 0.00310162/step, 2.19594 hours remaining, 234.253906 MB of memory in use. ENERGY: 2451200 3985.8815 20427.6406 14512.5368 262.6989 -203437.9351 2695.5562 0.0000 0.0000 52103.3897 -109450.2315 299.4389 -161553.6211 -109093.9572 299.1261 -176.9118 -152.6174 762794.3390 -1.8493 -1.9485 PRESSURE: 2451400 178.05 -263.076 -163.008 -263.077 130.02 54.8124 -163.008 54.8123 146.196 GPRESSURE: 2451400 263.478 -48.0596 -68.3336 -191.903 99.3046 19.9102 -59.1022 68.772 158.054 PRESSAVG: 2451400 -58.0443 -18.4622 1.16001 -18.4622 24.0202 -40.4956 1.16007 -40.4956 -9.98948 GPRESSAVG: 2451400 -57.2403 -20.0613 0.825709 -15.9324 24.0037 -41.6898 3.23043 -41.4636 -10.122 TIMING: 2451400 CPU: 7657.22, 0.00310543/step Wall: 7657.22, 0.00310543/step, 2.19847 hours remaining, 234.253906 MB of memory in use. ENERGY: 2451400 4008.7402 20528.2735 14522.9877 256.7600 -203317.5403 2573.7989 0.0000 0.0000 51837.3826 -109589.5974 297.9102 -161426.9801 -109228.8009 298.5446 151.4218 173.6122 763112.7623 -14.6712 -14.4529 PRESSURE: 2451600 53.4002 125.885 5.95354 125.886 353.292 -135.883 5.95363 -135.883 -13.5274 GPRESSURE: 2451600 90.6887 151.766 -42.0502 74.4737 314.626 -237.888 -70.6118 74.5063 47.8014 PRESSAVG: 2451600 -17.6134 -20.6892 -6.48531 -20.6892 46.3606 -83.7813 -6.48534 -83.7813 7.09098 GPRESSAVG: 2451600 -18.0083 -19.3591 -5.49022 -24.6702 47.0915 -83.2502 -5.84504 -84.4734 7.18208 TIMING: 2451600 CPU: 7657.84, 0.00309715/step Wall: 7657.84, 0.00309715/step, 2.19244 hours remaining, 234.253906 MB of memory in use. ENERGY: 2451600 3930.5170 20472.3780 14464.1219 249.2439 -203699.8345 3048.2202 0.0000 0.0000 51978.3778 -109556.9758 298.7205 -161535.3536 -109199.1809 298.3633 131.0549 151.0388 762363.9185 11.9460 12.0884 PRESSURE: 2451800 -212.218 59.6591 -84.8521 59.6588 -173.944 6.98001 -84.8525 6.98089 120.999 GPRESSURE: 2451800 -181.576 -3.4123 -158.31 26.3895 -161.824 81.4776 -58.8586 45.5401 170.502 PRESSAVG: 2451800 -48.0258 -10.0531 43.4918 -10.0531 76.6765 -44.7029 43.4918 -44.7029 1.73743 GPRESSAVG: 2451800 -46.5115 -9.9566 42.504 -8.78994 75.7015 -45.2545 41.3817 -43.9455 0.99185 TIMING: 2451800 CPU: 7658.46, 0.00309769/step Wall: 7658.46, 0.00309769/step, 2.19265 hours remaining, 234.253906 MB of memory in use. ENERGY: 2451800 3950.4292 20428.8624 14536.1301 249.3874 -203294.9917 2711.6552 0.0000 0.0000 52053.7451 -109364.7822 299.1536 -161418.5273 -109001.8323 298.3851 -88.3877 -57.6329 764562.8334 10.1294 10.0606 PRESSURE: 2452000 24.2787 -58.9262 174.471 -58.9258 -130.602 141.29 174.471 141.29 195.298 GPRESSURE: 2452000 60.5731 -37.4652 190.494 -68.2958 -85.1473 131.801 133.947 66.6373 206.432 PRESSAVG: 2452000 -7.32006 24.0723 -24.7719 24.0722 -2.46107 -12.7578 -24.7719 -12.7578 12.2251 GPRESSAVG: 2452000 -8.87279 24.1953 -23.4216 25.0811 -2.09616 -12.5199 -26.16 -12.241 13.3684 TIMING: 2452000 CPU: 7659.08, 0.00309021/step Wall: 7659.08, 0.00309021/step, 2.18718 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2452000 3987.4272 20459.5112 14421.0166 256.4718 -203406.2077 3082.6285 0.0000 0.0000 52028.7623 -109170.3901 299.0100 -161199.1523 -108806.9204 298.6393 29.6582 60.6193 762246.5186 0.8147 0.7998 PRESSURE: 2452200 164.234 -113.338 295.698 -113.339 -393.234 -214.823 295.698 -214.821 65.5175 GPRESSURE: 2452200 77.9368 -119.336 226.266 -56.7487 -204.059 -230.333 305.971 -243.441 48.1232 PRESSAVG: 2452200 -31.1639 -7.12074 -7.82669 -7.12077 54.0673 -9.98077 -7.82668 -9.98061 19.9394 GPRESSAVG: 2452200 -32.169 -4.33561 -9.69798 -10.3194 54.5461 -12.2349 -6.91718 -9.767 20.6638 TIMING: 2452200 CPU: 7659.69, 0.00307836/step Wall: 7659.69, 0.00307836/step, 2.17863 hours remaining, 234.253906 MB of memory in use. ENERGY: 2452200 3942.7065 20559.6584 14461.5540 243.7212 -202998.1498 2675.1077 0.0000 0.0000 52093.9827 -109021.4194 299.3848 -161115.4021 -108655.4865 299.4201 -54.4943 -25.9997 763168.9334 14.2809 14.3470 LDB: ============= START OF LOAD BALANCING ============== 7672.17 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7672.17 LDB: =============== DONE WITH MIGRATION ================ 7672.17 LDB: ============= START OF LOAD BALANCING ============== 7672.48 LDB: Largest compute 7042 load 0.030720 is 15.7% of average load 0.195243 LDB: Average compute 0.004390 is 2.2% of average load 0.195243 LDB: TIME 7672.48 LOAD: AVG 0.195243 MAX 0.215253 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.742 MB LDB: TIME 7672.48 LOAD: AVG 0.195243 MAX 0.215253 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.742 MB LDB: TIME 7672.48 LOAD: AVG 0.195243 MAX 0.215253 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.742 MB LDB: ============== END OF LOAD BALANCING =============== 7672.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7672.49 PRESSURE: 2452400 -105.427 -44.69 44.3289 -44.6899 88.1796 -192.607 44.3291 -192.607 44.4989 GPRESSURE: 2452400 -20.2615 -51.246 48.4311 64.3381 42.1756 -207.205 -14.1847 -219.293 70.8645 PRESSAVG: 2452400 -21.683 5.30685 15.3919 5.30685 -21.5 -31.5794 15.3919 -31.5793 7.08076 GPRESSAVG: 2452400 -20.8928 3.47697 17.0693 8.0987 -22.0054 -29.4075 16.4699 -33.0833 6.0773 TIMING: 2452400 CPU: 7660.32, 0.00316219/step Wall: 7660.32, 0.00316219/step, 2.23778 hours remaining, 233.742188 MB of memory in use. ENERGY: 2452400 3972.5921 20503.7910 14364.8591 228.4708 -202966.8854 2822.7127 0.0000 0.0000 52102.0914 -108972.3681 299.4314 -161074.4595 -108607.5121 299.2601 9.0839 30.9262 764327.1996 -12.0341 -12.2736 PRESSURE: 2452600 -37.9538 102.403 -294.685 102.403 -129.405 134.716 -294.685 134.714 -220.555 GPRESSURE: 2452600 0.130572 32.8194 -300.258 92.135 -45.9204 17.361 -260.927 148.632 -251.171 PRESSAVG: 2452600 30.3239 -46.8214 -13.7151 -46.8214 -57.6482 9.61846 -13.7151 9.61845 16.5031 GPRESSAVG: 2452600 30.2571 -45.2963 -14.0499 -48.8047 -57.9923 9.449 -15.3895 7.91818 17.4237 TIMING: 2452600 CPU: 7660.94, 0.0030816/step Wall: 7660.94, 0.0030816/step, 2.18058 hours remaining, 233.742188 MB of memory in use. ENERGY: 2452600 3993.5313 20559.3642 14499.8269 232.5536 -203259.0107 2793.1354 0.0000 0.0000 52220.1993 -108960.4001 300.1102 -161180.5994 -108599.8695 299.5271 -129.3044 -98.9868 764236.4081 -3.6071 -3.4372 PRESSURE: 2452800 -171.09 -391.408 -26.7477 -391.409 31.762 -26.0729 -26.7477 -26.0729 -107.062 GPRESSURE: 2452800 -98.6952 -273.933 -59.1049 -371.708 22.3926 -51.3775 -18.5124 -23.6572 -100.709 PRESSAVG: 2452800 1.00412 -13.3923 7.80296 -13.3924 -23.6308 0.265515 7.80297 0.265577 3.83847 GPRESSAVG: 2452800 1.37636 -16.6985 6.5736 -11.7054 -22.0869 -0.0975743 9.49027 0.878997 2.324 TIMING: 2452800 CPU: 7661.56, 0.00308601/step Wall: 7661.56, 0.00308601/step, 2.18352 hours remaining, 233.742188 MB of memory in use. ENERGY: 2452800 3983.2653 20562.8976 14445.5855 258.9518 -203252.0607 2723.2494 0.0000 0.0000 52083.3437 -109194.7674 299.3237 -161278.1111 -108834.2502 299.4670 -82.1303 -59.0039 762092.9743 -6.2628 -6.1289 PRESSURE: 2453000 -202.435 121.292 38.0738 121.293 -326.767 -5.48653 38.0743 -5.48473 -154.87 GPRESSURE: 2453000 -187.768 148.305 33.767 -32.8596 -271.193 -13.9113 73.1458 -42.0182 -129.967 PRESSAVG: 2453000 0.0204634 -41.5796 23.8478 -41.5796 -29.1685 33.5987 23.8477 33.5986 12.1888 GPRESSAVG: 2453000 0.183078 -41.1285 24.3018 -42.031 -29.2254 33.0312 24.0108 35.1753 12.7594 TIMING: 2453000 CPU: 7662.18, 0.00309001/step Wall: 7662.18, 0.00309001/step, 2.18618 hours remaining, 233.742188 MB of memory in use. ENERGY: 2453000 4019.8005 20420.5964 14469.6151 229.8450 -203429.3418 2826.0107 0.0000 0.0000 52128.7699 -109334.7042 299.5848 -161463.4741 -108962.3385 298.9089 -228.0240 -196.3097 763702.2611 -5.6531 -5.4276 PRESSURE: 2453200 -190.695 -101.711 -132.867 -101.711 -316.607 -17.2536 -132.867 -17.2534 115.905 GPRESSURE: 2453200 -209.278 -19.8591 -204.853 -35.0671 -218.534 -18.4473 -35.5992 15.9709 135.305 PRESSAVG: 2453200 7.60161 10.4308 -15.2297 10.4307 -6.25159 73.4754 -15.2296 73.4754 -7.47327 GPRESSAVG: 2453200 7.5904 11.2467 -14.7004 8.95872 -6.07181 73.4921 -15.6093 71.8294 -7.42466 TIMING: 2453200 CPU: 7662.8, 0.00309827/step Wall: 7662.8, 0.00309827/step, 2.19185 hours remaining, 233.742188 MB of memory in use. ENERGY: 2453200 4009.4036 20608.1866 14406.7382 251.6008 -203414.5293 2868.4228 0.0000 0.0000 51881.5096 -109388.6677 298.1637 -161270.1773 -109039.3955 298.7266 -130.4655 -97.5026 763518.7143 -2.0411 -1.9687 PRESSURE: 2453400 147.298 -0.837844 163.048 -0.838153 -2.14181 -3.25696 163.048 -3.25714 28.833 GPRESSURE: 2453400 106.68 95.3998 235.987 40.1351 15.7951 -8.13904 91.8302 161.604 123.557 PRESSAVG: 2453400 -37.8961 -16.6741 9.31504 -16.6741 83.1809 6.454 9.31502 6.45394 10.0506 GPRESSAVG: 2453400 -36.9724 -16.2541 9.58401 -14.4314 82.8473 6.89149 8.71032 8.82275 9.52982 TIMING: 2453400 CPU: 7663.42, 0.00310464/step Wall: 7663.42, 0.00310464/step, 2.19619 hours remaining, 233.742188 MB of memory in use. ENERGY: 2453400 3992.4668 20521.2834 14463.6703 250.2686 -203823.4057 2969.4549 0.0000 0.0000 52271.3215 -109354.9401 300.4040 -161626.2616 -108993.1347 298.8119 57.9963 82.0106 762483.6366 18.4452 18.4683 PRESSURE: 2453600 -187.701 -21.0862 283.298 -21.0872 -80.5532 -226.79 283.297 -226.789 -18.835 GPRESSURE: 2453600 -144.049 -10.8102 196.622 92.7507 -25.9426 -223.26 286.866 -36.9513 -42.3117 PRESSAVG: 2453600 -17.4321 -39.9171 67.8943 -39.917 23.4486 30.204 67.8944 30.204 -12.551 GPRESSAVG: 2453600 -18.853 -38.4569 66.3561 -41.6604 24.5104 29.0047 69.6586 30.3987 -12.2661 TIMING: 2453600 CPU: 7664.03, 0.0030831/step Wall: 7664.03, 0.0030831/step, 2.18078 hours remaining, 233.742188 MB of memory in use. ENERGY: 2453600 3985.3103 20383.2054 14442.3629 245.5371 -203525.3644 2765.2137 0.0000 0.0000 52217.0564 -109486.6786 300.0921 -161703.7350 -109117.6000 298.7137 -95.6962 -70.7676 763625.8107 -2.1782 -2.2029 PRESSURE: 2453800 -206.604 -259.349 -91.6163 -259.349 -166.815 -80.1882 -91.6159 -80.1885 -428.601 GPRESSURE: 2453800 -193.593 -299.777 -131.469 -166.273 -106.345 -60.5805 -123.361 -56.7792 -405.077 PRESSAVG: 2453800 -15.4744 4.93165 23.517 4.93171 8.43088 23.8874 23.517 23.8874 -12.237 GPRESSAVG: 2453800 -14.6294 2.79708 25.0823 6.44745 7.27254 25.2594 21.7439 22.3783 -11.6007 TIMING: 2453800 CPU: 7664.65, 0.00308232/step Wall: 7664.65, 0.00308232/step, 2.18006 hours remaining, 233.742188 MB of memory in use. ENERGY: 2453800 4012.5317 20584.3019 14455.0901 230.0166 -203359.2435 2954.3876 0.0000 0.0000 51892.1141 -109230.8014 298.2247 -161122.9155 -108869.6554 298.5488 -267.3400 -235.0047 763178.8976 -6.4269 -6.3192 PRESSURE: 2454000 -412.637 -38.2884 -105.978 -38.2882 -278.148 28.3415 -105.978 28.3428 -306.939 GPRESSURE: 2454000 -494.192 -27.0984 -135.939 -39.025 -143.666 33.13 -118.375 -57.6018 -282.096 PRESSAVG: 2454000 -20.2117 -16.403 13.8486 -16.4029 -2.33712 40.0719 13.8486 40.0718 -10.901 GPRESSAVG: 2454000 -20.3471 -17.8849 12.2239 -17.0263 -1.39799 38.3558 12.5294 41.1896 -12.3307 TIMING: 2454000 CPU: 7665.27, 0.0030915/step Wall: 7665.27, 0.0030915/step, 2.18638 hours remaining, 233.742188 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: 2454000 3965.4268 20641.5057 14504.2435 250.4112 -203216.9823 2516.5054 0.0000 0.0000 52136.7461 -109202.1436 299.6306 -161338.8897 -108837.4360 299.4877 -332.5747 -306.6515 762888.9217 -11.1499 -11.3586 PRESSURE: 2454200 9.59996 -164.065 44.0465 -164.066 -84.4502 -75.9246 44.047 -75.9256 408.313 GPRESSURE: 2454200 33.4918 -53.8989 72.7829 -168.525 -38.5451 -51.4366 82.6457 -224.302 401.062 PRESSAVG: 2454200 -10.1267 3.53811 -41.8702 3.53804 -2.77281 -26.2982 -41.8702 -26.2983 2.57428 GPRESSAVG: 2454200 -10.7892 5.58534 -40.7535 3.45085 -2.70581 -27.139 -40.8025 -25.03 3.12276 TIMING: 2454200 CPU: 7665.89, 0.00309507/step Wall: 7665.89, 0.00309507/step, 2.18873 hours remaining, 233.742188 MB of memory in use. ENERGY: 2454200 3991.5406 20554.1443 14431.7389 249.7366 -203154.4308 2678.9642 0.0000 0.0000 51968.7980 -109279.5081 298.6654 -161248.3062 -108922.2685 299.0196 111.1542 132.0028 761368.1319 -3.4417 -3.4574 PRESSURE: 2454400 -331.067 80.5138 -101.929 80.5129 -72.3304 -143.678 -101.929 -143.678 -260.179 GPRESSURE: 2454400 -207.244 110.735 -164.659 130.422 -64.0526 -100.531 -75.0515 -269.811 -316.525 PRESSAVG: 2454400 8.95236 -12.0674 61.4383 -12.0674 20.4315 -26.1241 61.4383 -26.1242 9.27267 GPRESSAVG: 2454400 9.10627 -12.7957 61.915 -10.7965 19.6731 -24.8019 62.4472 -29.6756 9.75214 TIMING: 2454400 CPU: 7666.5, 0.00308804/step Wall: 7666.5, 0.00308804/step, 2.18358 hours remaining, 233.742188 MB of memory in use. ENERGY: 2454400 4016.3388 20505.7169 14449.6323 250.1515 -202909.6257 2611.8869 0.0000 0.0000 51850.6438 -109225.2556 297.9864 -161075.8993 -108862.3212 299.4351 -221.1919 -195.9406 762683.2458 12.8855 12.8438 PRESSURE: 2454600 242.877 59.457 -17.9441 59.4572 -250.33 -195.336 -17.9442 -195.336 -289.697 GPRESSURE: 2454600 230.924 78.3645 68.8272 116.483 -198.932 -164.328 3.4513 -111.679 -263.098 PRESSAVG: 2454600 -7.05759 -21.031 12.2974 -21.031 0.187323 66.8837 12.2974 66.8837 6.18764 GPRESSAVG: 2454600 -8.5521 -21.1806 12.8907 -21.4405 0.178928 68.7668 9.84557 68.1237 7.59386 TIMING: 2454600 CPU: 7667.12, 0.00307166/step Wall: 7667.12, 0.00307166/step, 2.17183 hours remaining, 233.742188 MB of memory in use. ENERGY: 2454600 4120.2606 20491.6904 14438.0072 244.1003 -203060.9607 2677.9543 0.0000 0.0000 51940.0702 -109148.8776 298.5003 -161088.9478 -108795.4931 299.0449 -99.0502 -77.0351 762932.5375 -0.2275 -0.2598 PRESSURE: 2454800 -210.115 -46.3986 -169.164 -46.3982 -257.709 -82.0654 -169.165 -82.0649 373.347 GPRESSURE: 2454800 -269.788 121.44 -186.984 -112.089 -148.95 -161.51 -83.6734 -141.367 393.489 PRESSAVG: 2454800 -32.8899 0.707491 -20.0384 0.70739 36.8326 -34.7911 -20.0384 -34.7911 16.7478 GPRESSAVG: 2454800 -31.5859 2.12039 -20.5678 0.508758 36.9488 -35.601 -18.3614 -36.3548 14.6726 TIMING: 2454800 CPU: 7667.74, 0.00309452/step Wall: 7667.74, 0.00309452/step, 2.18783 hours remaining, 233.742188 MB of memory in use. ENERGY: 2454800 4063.6977 20459.2816 14510.0343 235.1519 -202677.9611 2473.8648 0.0000 0.0000 51680.7030 -109255.2278 297.0097 -160935.9308 -108890.3599 298.8899 -31.4924 -8.4164 764450.1408 6.8968 6.6785 PRESSURE: 2455000 -0.20314 -297.669 199.524 -297.67 -245.008 21.1187 199.525 21.1183 92.7596 GPRESSURE: 2455000 -13.5121 -301.323 191.7 -188.005 -130.672 109.799 155.352 43.8759 73.0179 PRESSAVG: 2455000 -52.0609 -53.8592 -2.00823 -53.8592 28.6305 11.7939 -2.00818 11.7939 12.4778 GPRESSAVG: 2455000 -53.2591 -52.757 -1.19262 -55.0895 28.1982 11.8507 -3.06268 11.9292 13.7235 TIMING: 2455000 CPU: 7668.35, 0.00307281/step Wall: 7668.35, 0.00307281/step, 2.1723 hours remaining, 233.742188 MB of memory in use. ENERGY: 2455000 4009.9329 20470.8742 14494.0485 255.5737 -203326.1713 2846.3888 0.0000 0.0000 52077.2431 -109172.1101 299.2886 -161249.3532 -108806.4526 298.7369 -50.8173 -23.7220 762924.4778 -3.6508 -3.7791 PRESSURE: 2455200 13.5545 -151.501 -183.168 -151.501 -356.925 85.8159 -183.168 85.8151 170.887 GPRESSURE: 2455200 6.91785 -168.406 -263.724 -69.9147 -277.055 48.8865 -107.817 23.8586 200.657 PRESSAVG: 2455200 -18.9022 -8.53657 -19.8056 -8.53653 -28.7805 -43.952 -19.8056 -43.9519 -0.258172 GPRESSAVG: 2455200 -18.5242 -8.58032 -21.1973 -9.55979 -30.0065 -43.0327 -18.4451 -42.9213 0.29603 TIMING: 2455200 CPU: 7668.97, 0.003074/step Wall: 7668.97, 0.003074/step, 2.17298 hours remaining, 233.742188 MB of memory in use. ENERGY: 2455200 3982.3149 20460.9340 14464.5669 262.5353 -203084.0158 2950.1281 0.0000 0.0000 51951.0285 -109012.5081 298.5633 -160963.5366 -108654.3656 299.0771 -57.4945 -23.1601 763527.2646 -15.9803 -16.0782 PRESSURE: 2455400 -20.279 79.3961 -33.5091 79.3955 130.379 -140.983 -33.5095 -140.983 34.4637 GPRESSURE: 2455400 55.3948 47.8525 -131.093 201.551 158.166 -90.7165 0.0834632 -40.1511 7.28668 PRESSAVG: 2455400 18.187 31.0312 -11.5268 31.0312 -67.198 -4.9481 -11.5267 -4.94826 3.55905 GPRESSAVG: 2455400 18.5393 29.6063 -11.8657 32.3411 -65.5211 -5.82052 -12.3934 -6.49266 2.02092 TIMING: 2455400 CPU: 7669.58, 0.00307949/step Wall: 7669.58, 0.00307949/step, 2.17668 hours remaining, 233.742188 MB of memory in use. ENERGY: 2455400 3952.5163 20529.3718 14491.3401 258.9437 -203109.0120 2896.0725 0.0000 0.0000 52103.2346 -108877.5330 299.4380 -160980.7676 -108515.1738 299.4548 48.1879 73.6157 763726.5762 -15.1506 -14.9870 PRESSURE: 2455600 67.2779 86.3152 143.323 86.3153 103.122 -157.75 143.323 -157.75 290.142 GPRESSURE: 2455600 210.29 173.202 68.7307 176.431 89.4273 -59.1244 140.416 -25.0167 230.827 PRESSAVG: 2455600 -19.6569 12.3438 1.6996 12.3438 15.7999 16.4131 1.69958 16.4131 -28.5783 GPRESSAVG: 2455600 -18.2301 13.0339 1.24359 14.4098 13.793 15.7714 4.75594 18.1108 -28.2425 TIMING: 2455600 CPU: 7670.2, 0.00307513/step Wall: 7670.2, 0.00307513/step, 2.17343 hours remaining, 233.742188 MB of memory in use. ENERGY: 2455600 4042.5154 20354.0402 14434.1619 261.6273 -202922.9124 2888.3342 0.0000 0.0000 52301.2671 -108640.9663 300.5761 -160942.2334 -108275.8845 299.9785 153.5141 176.8479 763747.6320 -10.8118 -10.8932 PRESSURE: 2455800 -123.477 247.471 140.115 247.471 79.8935 14.423 140.116 14.4227 -62.4427 GPRESSURE: 2455800 -25.7364 212.558 225.765 206.283 58.2257 2.00097 103.639 27.2766 -64.5889 PRESSAVG: 2455800 -0.268122 39.2443 27.3632 39.2442 18.5851 -0.160137 27.3632 -0.160149 -9.79742 GPRESSAVG: 2455800 -1.83163 37.6483 28.4486 37.5959 19.542 -0.599151 23.1597 -0.0619456 -9.09467 TIMING: 2455800 CPU: 7670.81, 0.00307863/step Wall: 7670.81, 0.00307863/step, 2.17574 hours remaining, 233.742188 MB of memory in use. ENERGY: 2455800 4034.3761 20364.6241 14484.7270 255.7174 -203017.7855 2848.0136 0.0000 0.0000 52243.9904 -108786.3369 300.2469 -161030.3273 -108405.1085 299.8826 -35.3420 -10.6999 761645.2732 2.8399 2.8719 PRESSURE: 2456000 -9.44053 -73.704 -108.274 -73.7042 -69.5149 -230.849 -108.273 -230.849 69.0281 GPRESSURE: 2456000 32.504 -26.9209 -159.177 -72.0063 -58.1388 -303.905 -0.213052 -12.6237 114.285 PRESSAVG: 2456000 -53.7524 52.7569 -12.438 52.7569 34.2753 -43.5062 -12.4379 -43.5063 -0.974644 GPRESSAVG: 2456000 -52.8112 53.7021 -11.9294 53.3814 34.0345 -43.4548 -11.4741 -42.4881 -1.09528 TIMING: 2456000 CPU: 7671.43, 0.00308504/step Wall: 7671.43, 0.00308504/step, 2.1801 hours remaining, 233.742188 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: 2456000 4065.2586 20479.9154 14438.9881 240.5718 -202881.2131 2709.8489 0.0000 0.0000 52025.4659 -108921.1644 298.9911 -160946.6303 -108557.7397 299.8868 -3.3091 29.5500 764570.6503 -6.8173 -6.6240 PRESSURE: 2456200 -39.936 -175.967 126.015 -175.967 255.817 -37.5276 126.015 -37.527 -283.055 GPRESSURE: 2456200 10.5341 -270.792 56.3208 -214.475 259.884 10.0359 12.5221 13.9322 -246.342 PRESSAVG: 2456200 -40.1955 4.63295 -6.06596 4.63295 22.9331 -64.0269 -6.06598 -64.0269 16.2702 GPRESSAVG: 2456200 -40.7864 5.49829 -8.509 2.61804 23.3473 -61.5223 -5.74386 -65.3499 16.6918 TIMING: 2456200 CPU: 7672.05, 0.00309706/step Wall: 7672.05, 0.00309706/step, 2.18842 hours remaining, 233.742188 MB of memory in use. ENERGY: 2456200 4025.8039 20556.5711 14516.7917 223.3431 -203138.9727 2853.5490 0.0000 0.0000 51872.0391 -109090.8747 298.1093 -160962.9138 -108735.3838 299.4705 -22.3914 8.0252 762475.3872 -0.3307 -0.2491 LDB: ============= START OF LOAD BALANCING ============== 7684.52 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7684.52 LDB: =============== DONE WITH MIGRATION ================ 7684.53 LDB: ============= START OF LOAD BALANCING ============== 7684.83 LDB: Largest compute 7042 load 0.030926 is 15.8% of average load 0.195225 LDB: Average compute 0.004396 is 2.3% of average load 0.195225 LDB: TIME 7684.84 LOAD: AVG 0.195225 MAX 0.216313 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.742 MB LDB: TIME 7684.84 LOAD: AVG 0.195225 MAX 0.216313 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.945 MB LDB: TIME 7684.84 LOAD: AVG 0.195225 MAX 0.216313 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.945 MB LDB: ============== END OF LOAD BALANCING =============== 7684.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7684.84 PRESSURE: 2456400 -62.3191 28.56 73.5808 28.5599 -219.543 -115.83 73.5811 -115.83 -279.77 GPRESSURE: 2456400 -47.2435 40.0844 49.3607 0.542162 -208.935 -147.186 27.8686 -52.3118 -210.405 PRESSAVG: 2456400 -45.0029 -4.23333 -0.262651 -4.23335 53.6567 -25.3657 -0.262709 -25.3656 -7.73796 GPRESSAVG: 2456400 -45.5204 -7.07498 -0.539655 -2.59115 54.033 -25.8549 0.248078 -25.2721 -7.00514 TIMING: 2456400 CPU: 7672.68, 0.00314421/step Wall: 7672.68, 0.00314421/step, 2.22156 hours remaining, 235.535156 MB of memory in use. ENERGY: 2456400 4064.3435 20581.0182 14434.7917 256.9140 -203164.9970 2891.6076 0.0000 0.0000 52003.1988 -108933.1231 298.8631 -160936.3219 -108586.2686 299.1546 -187.2106 -155.5277 762702.2812 0.3053 0.5025 PRESSURE: 2456600 -53.1521 -188.191 -194.057 -188.191 306.504 -139.471 -194.057 -139.472 146.513 GPRESSURE: 2456600 -21.2925 -55.4619 -70.8934 -121.289 346.809 -38.4013 -183.227 -135.104 159.853 PRESSAVG: 2456600 48.5183 -2.64046 -23.1011 -2.64051 -38.5667 -23.6466 -23.1011 -23.6466 18.9216 GPRESSAVG: 2456600 48.512 0.0692904 -20.6651 -2.37617 -39.4477 -24.7142 -24.527 -23.1579 18.859 TIMING: 2456600 CPU: 7673.3, 0.00308428/step Wall: 7673.3, 0.00308428/step, 2.17905 hours remaining, 235.738281 MB of memory in use. ENERGY: 2456600 3997.4345 20362.5394 14560.5347 245.6988 -203529.7883 2950.4573 0.0000 0.0000 52393.1701 -109019.9534 301.1043 -161413.1235 -108643.6643 299.7592 133.2884 161.7897 760957.2141 9.6244 9.3078 PRESSURE: 2456800 17.4189 172.125 -151.812 172.125 13.3877 -137.959 -151.813 -137.961 -139.84 GPRESSURE: 2456800 83.864 190.793 -162.283 212.442 -37.2353 -97.9792 -21.2227 -135.964 -80.1848 PRESSAVG: 2456800 -91.0323 -5.09723 7.34931 -5.09722 51.4777 -40.0608 7.34927 -40.0608 -5.90602 GPRESSAVG: 2456800 -88.4683 -6.08281 6.7162 -3.55476 50.1801 -39.6428 8.14202 -41.0648 -7.03364 TIMING: 2456800 CPU: 7673.91, 0.00308566/step Wall: 7673.91, 0.00308566/step, 2.17985 hours remaining, 235.738281 MB of memory in use. ENERGY: 2456800 4102.0088 20512.0517 14479.3510 260.0166 -203340.7865 2554.1385 0.0000 0.0000 52121.8468 -109311.3731 299.5450 -161433.2200 -108949.0675 298.9444 -36.3444 -11.1854 762123.9418 -15.1536 -15.1073 PRESSURE: 2457000 46.8363 11.9335 165.043 11.9334 0.684285 -20.2391 165.043 -20.2385 -141.843 GPRESSURE: 2457000 -16.459 -10.0344 158.742 -21.5401 107.495 -25.6552 145.928 -13.2259 -99.9592 PRESSAVG: 2457000 -95.7428 -49.0424 -0.386778 -49.0424 49.2024 -22.2974 -0.386827 -22.2975 8.76485 GPRESSAVG: 2457000 -97.5182 -49.4567 -1.13024 -50.0318 50.4059 -23.1209 -1.63849 -21.9777 9.19098 TIMING: 2457000 CPU: 7674.53, 0.00310935/step Wall: 7674.53, 0.00310935/step, 2.19641 hours remaining, 235.738281 MB of memory in use. ENERGY: 2457000 4039.2953 20429.1658 14492.2347 228.6636 -203218.2387 2719.4624 0.0000 0.0000 52088.1233 -109221.2935 299.3512 -161309.4168 -108856.1808 298.8922 -31.4409 -2.9743 762466.0723 -12.5919 -12.6405 PRESSURE: 2457200 -245.102 78.3506 -229.241 78.3509 -548.038 5.86895 -229.241 5.86973 410.765 GPRESSURE: 2457200 -242.592 191.811 -278.918 84.8598 -439.023 18.661 -128.878 -63.9404 381.92 PRESSAVG: 2457200 -41.7584 -2.64823 45.0083 -2.64818 25.0295 -15.0189 45.0083 -15.0188 -3.45804 GPRESSAVG: 2457200 -42.7416 0.778676 45.7511 -4.86038 26.439 -15.6462 45.3562 -14.9655 -3.44745 TIMING: 2457200 CPU: 7675.15, 0.00309483/step Wall: 7675.15, 0.00309483/step, 2.18598 hours remaining, 235.738281 MB of memory in use. ENERGY: 2457200 3965.1263 20576.6867 14453.4671 245.7081 -203164.9924 2801.6358 0.0000 0.0000 51932.5095 -109189.8590 298.4568 -161122.3685 -108831.7368 298.9877 -127.4585 -99.8984 762954.9741 -6.7290 -6.5834 PRESSURE: 2457400 -4.23587 60.8479 -49.0467 60.8484 -504.529 285.366 -49.0455 285.366 241.086 GPRESSURE: 2457400 28.2082 -10.8307 -25.2027 24.4784 -348.244 262.819 -31.882 210.293 125.726 PRESSAVG: 2457400 -22.128 25.5836 -6.10386 25.5836 -26.5929 -2.21621 -6.10389 -2.21616 5.15718 GPRESSAVG: 2457400 -21.8745 22.0105 -5.23626 26.4445 -26.0991 -2.16099 -4.53317 -4.74772 3.99037 TIMING: 2457400 CPU: 7675.77, 0.00309665/step Wall: 7675.77, 0.00309665/step, 2.18709 hours remaining, 235.738281 MB of memory in use. ENERGY: 2457400 4015.6368 20478.8042 14404.4308 234.5791 -203408.2036 2976.4102 0.0000 0.0000 52016.2656 -109282.0771 298.9382 -161298.3427 -108915.0617 299.1251 -89.2262 -64.7700 764546.5599 -14.5212 -14.6611 PRESSURE: 2457600 -71.4866 58.8085 -100.678 58.807 -57.2546 -193.635 -100.678 -193.634 100.174 GPRESSURE: 2457600 32.4929 49.4654 -210.571 73.7819 -143.627 -117.375 -23.7937 -42.9077 167.08 PRESSAVG: 2457600 -30.0736 8.76184 40.211 8.76182 18.4019 -67.923 40.2109 -67.9231 8.0135 GPRESSAVG: 2457600 -29.2909 10.3274 39.19 9.03568 16.4585 -66.5923 39.0746 -65.511 8.72931 TIMING: 2457600 CPU: 7676.4, 0.00312546/step Wall: 7676.4, 0.00312546/step, 2.20727 hours remaining, 235.738281 MB of memory in use. ENERGY: 2457600 3979.5444 20625.7080 14416.0635 258.3406 -202706.9546 2476.1777 0.0000 0.0000 51866.0813 -109085.0390 298.0751 -160951.1203 -108725.1756 298.8099 -9.5224 18.6487 763008.5335 -1.2194 -1.3677 PRESSURE: 2457800 338.708 -237.835 -49.8185 -237.836 -259.591 390.198 -49.8189 390.2 103.073 GPRESSURE: 2457800 348.468 -152.925 -63.8137 -67.5261 -211.302 362.893 -42.0976 359.447 116.739 PRESSAVG: 2457800 5.88532 -24.6315 -9.16416 -24.6316 -3.25841 41.168 -9.16417 41.168 -26.537 GPRESSAVG: 2457800 4.50423 -24.5542 -8.53428 -22.776 -2.17406 42.0285 -9.89121 38.8476 -26.5067 TIMING: 2457800 CPU: 7677.02, 0.0031094/step Wall: 7677.02, 0.0031094/step, 2.19576 hours remaining, 235.738281 MB of memory in use. ENERGY: 2457800 3993.6355 20405.6694 14420.6389 254.0025 -203773.7657 3139.2066 0.0000 0.0000 52287.2696 -109273.3432 300.4957 -161560.6127 -108910.7204 299.4230 60.7299 84.6351 762416.0095 -7.9700 -8.0588 PRESSURE: 2458000 -149.517 -142.32 223.634 -142.321 176.996 -5.36865 223.635 -5.36955 184.701 GPRESSURE: 2458000 -115.251 -127.534 256.639 -146.945 174.418 -137.012 87.572 -46.4275 245.325 PRESSAVG: 2458000 11.1803 -21.8733 -53.1676 -21.8733 -9.4581 -2.39555 -53.1676 -2.39558 9.32612 GPRESSAVG: 2458000 12.2643 -22.0203 -52.0382 -23.1589 -9.90337 -4.38749 -52.374 -1.23927 8.9851 TIMING: 2458000 CPU: 7677.64, 0.00309048/step Wall: 7677.64, 0.00309048/step, 2.18222 hours remaining, 235.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2458000 3996.3720 20480.7987 14509.9841 243.9563 -202982.9307 2520.0114 0.0000 0.0000 51844.2697 -109387.5385 297.9497 -161231.8082 -109026.1841 298.7955 70.7264 101.4975 763080.0112 3.6828 3.7820 PRESSURE: 2458200 -92.8056 157.603 -50.2156 157.602 -23.3243 -149.167 -50.2147 -149.167 -426.453 GPRESSURE: 2458200 -59.1335 83.109 26.2823 143.24 10.9396 -110.98 -89.5463 -180.003 -408.326 PRESSAVG: 2458200 -33.0113 10.1163 10.9991 10.1163 27.37 14.7136 10.9991 14.7136 -0.295486 GPRESSAVG: 2458200 -32.9927 9.00648 11.4606 10.9497 27.5828 16.8379 10.0811 14.0983 0.069042 TIMING: 2458200 CPU: 7678.26, 0.00309944/step Wall: 7678.26, 0.00309944/step, 2.18838 hours remaining, 235.738281 MB of memory in use. ENERGY: 2458200 3967.1105 20804.7193 14423.4001 250.3929 -203516.5640 2790.8168 0.0000 0.0000 52133.0062 -109147.1182 299.6091 -161280.1244 -108791.1065 299.3531 -180.8611 -152.1734 761607.4909 -1.9789 -1.7803 PRESSURE: 2458400 -188.356 38.8177 270.96 38.8184 -174.22 205.535 270.96 205.535 -386.811 GPRESSURE: 2458400 -138.171 130.493 268.538 -36.9254 -215.752 173.063 250.276 187.353 -323.489 PRESSAVG: 2458400 3.45756 -1.54705 61.0945 -1.54701 13.1973 4.27696 61.0945 4.27695 18.428 GPRESSAVG: 2458400 4.83678 -3.08333 60.1253 -2.96237 12.2355 2.66541 61.4109 5.30386 18.6076 TIMING: 2458400 CPU: 7678.88, 0.0031005/step Wall: 7678.88, 0.0031005/step, 2.18895 hours remaining, 235.738281 MB of memory in use. ENERGY: 2458400 4064.4751 20630.3851 14396.0516 252.0420 -202986.2112 2431.5404 0.0000 0.0000 51966.4949 -109245.2221 298.6522 -161211.7170 -108882.6777 298.9677 -249.7960 -225.8038 761358.4242 11.6943 11.8933 PRESSURE: 2458600 57.578 -118.475 -94.9168 -118.474 -12.645 58.4859 -94.917 58.4856 -299.826 GPRESSURE: 2458600 133.324 -156.806 -54.2151 -131.237 -117.055 97.9934 -202.281 -59.5373 -197.946 PRESSAVG: 2458600 29.5936 -5.65973 0.704363 -5.65973 14.2384 -23.962 0.704265 -23.9621 -26.5486 GPRESSAVG: 2458600 28.0533 -4.05419 0.314954 -5.17241 13.8899 -22.0159 0.861465 -25.4953 -25.0991 TIMING: 2458600 CPU: 7679.5, 0.00308653/step Wall: 7679.5, 0.00308653/step, 2.17892 hours remaining, 235.738281 MB of memory in use. ENERGY: 2458600 4016.1695 20691.0411 14429.1222 252.9218 -203590.0776 2901.3878 0.0000 0.0000 52105.2933 -109194.1418 299.4498 -161299.4352 -108836.5873 299.3849 -84.9642 -60.5589 762584.0830 5.7611 5.6147 PRESSURE: 2458800 -101.509 -181.002 -71.72 -181.002 -356.453 -86.9776 -71.72 -86.9772 -95.3573 GPRESSURE: 2458800 -19.7013 -105.27 22.2458 -78.6529 -280.084 -39.7761 40.7077 -23.9203 -182.421 PRESSAVG: 2458800 39.2792 -15.4025 -36.213 -15.4025 -28.5534 -38.0478 -36.213 -38.0477 31.901 GPRESSAVG: 2458800 38.3204 -14.1238 -37.5527 -16.3997 -26.863 -38.887 -36.0418 -38.1427 31.272 TIMING: 2458800 CPU: 7680.12, 0.00310237/step Wall: 7680.12, 0.00310237/step, 2.18993 hours remaining, 235.738281 MB of memory in use. ENERGY: 2458800 4038.3695 20492.6777 14461.3746 262.1056 -203398.1456 2755.3817 0.0000 0.0000 52392.1573 -108996.0793 301.0984 -161388.2366 -108636.0953 299.7680 -184.4399 -160.7353 759559.8865 14.2089 14.2431 PRESSURE: 2459000 -321.684 64.2809 3.37031 64.281 -27.468 -187.378 3.37093 -187.377 156.006 GPRESSURE: 2459000 -362.998 44.031 -101.41 -98.9656 113.128 -144.859 20.4281 -59.1661 145.156 PRESSAVG: 2459000 29.0637 28.454 -13.5592 28.454 -29.2825 -48.4827 -13.5591 -48.4827 -27.4111 GPRESSAVG: 2459000 30.3708 26.4897 -13.4075 29.5344 -30.1346 -48.8269 -12.8128 -46.537 -28.0356 TIMING: 2459000 CPU: 7680.74, 0.00311343/step Wall: 7680.74, 0.00311343/step, 2.19756 hours remaining, 235.738281 MB of memory in use. ENERGY: 2459000 3983.6626 20301.5342 14466.6603 232.0229 -203040.1360 2563.3615 0.0000 0.0000 52431.7712 -109061.1234 301.3261 -161492.8946 -108701.2717 299.7106 -64.3820 -34.9046 761420.5868 -9.2100 -9.2665 PRESSURE: 2459200 -59.6472 125.581 -53.5259 125.582 168.45 -79.1017 -53.5257 -79.1023 119.988 GPRESSURE: 2459200 17.5838 131.366 31.6089 74.665 180.131 -155.661 -122.471 -16.1066 146.688 PRESSAVG: 2459200 26.8507 28.7159 17.6272 28.716 -0.930411 14.889 17.6272 14.889 14.0903 GPRESSAVG: 2459200 25.643 30.2371 18.0073 28.2917 0.493398 16.2116 17.5604 15.9559 13.6113 TIMING: 2459200 CPU: 7681.36, 0.00309234/step Wall: 7681.36, 0.00309234/step, 2.1825 hours remaining, 235.738281 MB of memory in use. ENERGY: 2459200 4016.5982 20505.7092 14476.7414 269.9323 -202948.0242 2592.1716 0.0000 0.0000 52148.8651 -108938.0064 299.7002 -161086.8715 -108571.9274 299.7061 76.2636 114.8008 762146.4244 13.3369 13.2493 PRESSURE: 2459400 128.594 -109.295 -115.311 -109.295 365.991 179.553 -115.312 179.552 -101.644 GPRESSURE: 2459400 187.159 -63.4768 -5.81751 -126.388 336.906 77.5212 -83.5133 250.53 -42.7485 PRESSAVG: 2459400 9.70176 36.8579 13.4117 36.858 -30.6986 -31.2237 13.4118 -31.2236 12.183 GPRESSAVG: 2459400 11.2726 36.7007 11.2792 36.3157 -32.4237 -31.4062 14.3888 -32.2448 12.7022 TIMING: 2459400 CPU: 7681.97, 0.00308785/step Wall: 7681.97, 0.00308785/step, 2.17916 hours remaining, 235.738281 MB of memory in use. ENERGY: 2459400 4078.6776 20527.5927 14475.2805 248.9129 -203350.2280 3034.4115 0.0000 0.0000 52046.0906 -108939.2622 299.1096 -160985.3528 -108581.5356 299.5959 130.9804 160.4387 760944.8017 -2.9380 -2.8163 PRESSURE: 2459600 304.176 80.5106 -13.0041 80.511 126.581 -68.3526 -13.0042 -68.3519 54.3766 GPRESSURE: 2459600 304.393 -2.34866 90.8827 111.558 169.833 -75.7319 -3.51389 -161.33 98.0088 PRESSAVG: 2459600 83.1335 -38.7754 -36.1466 -38.7754 -67.0949 -52.4848 -36.1467 -52.4848 30.8781 GPRESSAVG: 2459600 84.0764 -37.9265 -35.8983 -36.2619 -67.6569 -52.1571 -34.7419 -52.9537 31.4129 TIMING: 2459600 CPU: 7682.6, 0.00310309/step Wall: 7682.6, 0.00310309/step, 2.18974 hours remaining, 235.738281 MB of memory in use. ENERGY: 2459600 4038.8918 20282.4341 14448.4468 254.7373 -203119.2261 2889.1271 0.0000 0.0000 52270.8699 -108934.7191 300.4014 -161205.5890 -108567.9419 299.7924 161.7113 190.7451 762099.4413 15.6389 15.9441 PRESSURE: 2459800 -169.361 74.0091 -32.7354 74.0095 -88.2349 -26.3769 -32.7357 -26.3776 252.064 GPRESSURE: 2459800 -85.2533 155.202 -31.8831 5.62221 -26.3175 -109.23 46.4636 72.6426 185.443 PRESSAVG: 2459800 49.5331 -22.4511 -32.35 -22.4512 -1.60879 -16.5261 -32.3499 -16.526 -11.8772 GPRESSAVG: 2459800 49.1487 -23.4177 -31.14 -25.0382 -1.15817 -17.3082 -36.4371 -14.6341 -12.1707 TIMING: 2459800 CPU: 7683.21, 0.00309304/step Wall: 7683.21, 0.00309304/step, 2.18248 hours remaining, 235.738281 MB of memory in use. ENERGY: 2459800 3992.3721 20575.2267 14370.7507 239.9563 -202897.9152 2605.0796 0.0000 0.0000 52017.2645 -109097.2653 298.9439 -161114.5298 -108736.2803 299.8078 -1.8438 24.6241 762077.1812 12.0157 11.9400 PRESSURE: 2460000 -312.368 -31.7047 -3.6343 -31.705 212.547 9.67653 -3.63404 9.6766 -165.349 GPRESSURE: 2460000 -308.354 96.6421 1.90995 19.7812 237.369 82.4359 -1.81378 19.4058 -98.7876 PRESSAVG: 2460000 -29.4878 -27.93 11.3232 -27.93 2.50458 22.9143 11.3232 22.9144 -5.63654 GPRESSAVG: 2460000 -30.4727 -28.1953 11.5151 -25.5825 2.55414 24.2923 12.9438 20.3463 -4.87894 TIMING: 2460000 CPU: 7683.83, 0.00308932/step Wall: 7683.83, 0.00308932/step, 2.17969 hours remaining, 235.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2460000 4002.7344 20467.0878 14510.4300 246.3392 -203398.7794 2938.0057 0.0000 0.0000 52131.1403 -109103.0420 299.5984 -161234.1823 -108743.3750 299.1936 -88.3898 -56.5911 762914.1040 -10.8733 -10.9325 PRESSURE: 2460200 -381.626 135.962 -47.6376 135.962 -288.312 338.222 -47.638 338.223 -471.677 GPRESSURE: 2460200 -275.697 224.928 -62.8684 223.628 -297.368 309.785 130.428 347.891 -470.353 PRESSAVG: 2460200 55.1198 7.97296 18.5497 7.973 -35.6295 17.3471 18.5497 17.3471 3.88753 GPRESSAVG: 2460200 55.007 7.03052 18.7238 8.12109 -34.7174 16.3856 19.1352 16.6387 3.10147 TIMING: 2460200 CPU: 7684.45, 0.00310294/step Wall: 7684.45, 0.00310294/step, 2.18912 hours remaining, 235.738281 MB of memory in use. ENERGY: 2460200 4091.0726 20591.9382 14429.7187 259.8014 -202757.9889 2466.1079 0.0000 0.0000 51935.7522 -108983.5979 298.4755 -160919.3501 -108629.5229 299.4082 -380.5384 -347.8059 763459.0614 7.7926 7.7970 LDB: ============= START OF LOAD BALANCING ============== 7696.93 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7696.93 LDB: =============== DONE WITH MIGRATION ================ 7696.93 LDB: ============= START OF LOAD BALANCING ============== 7697.24 LDB: Largest compute 7042 load 0.030462 is 15.6% of average load 0.195083 LDB: Average compute 0.004404 is 2.3% of average load 0.195083 LDB: TIME 7697.24 LOAD: AVG 0.195083 MAX 0.215788 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.922 MB LDB: TIME 7697.24 LOAD: AVG 0.195083 MAX 0.215788 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.922 MB LDB: TIME 7697.24 LOAD: AVG 0.195083 MAX 0.215788 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.922 MB LDB: ============== END OF LOAD BALANCING =============== 7697.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7697.25 PRESSURE: 2460400 -134.592 -4.39284 -67.7614 -4.39295 -277.432 21.2948 -67.761 21.2945 -164.379 GPRESSURE: 2460400 -179.227 -118.513 -43.1731 -21.3162 -221.317 50.2707 -170.032 80.8719 -98.1445 PRESSAVG: 2460400 -7.36414 -13.4689 18.1391 -13.469 -11.0834 -8.67322 18.1392 -8.67322 -19.1704 GPRESSAVG: 2460400 -8.02391 -14.1011 17.9931 -14.9958 -10.5791 -7.66783 18.4062 -8.58636 -18.7864 TIMING: 2460400 CPU: 7685.09, 0.00316511/step Wall: 7685.09, 0.00316511/step, 2.23281 hours remaining, 234.960938 MB of memory in use. ENERGY: 2460400 4035.4757 20333.7400 14428.0874 246.5731 -202679.4811 2601.1448 0.0000 0.0000 52076.0708 -108958.3893 299.2819 -161034.4601 -108586.9691 299.4427 -192.1344 -166.2294 763952.3366 -12.5393 -12.4631 PRESSURE: 2460600 -123.415 -78.2036 154.353 -78.2048 94.2023 -7.97809 154.354 -7.97753 221.559 GPRESSURE: 2460600 -6.4145 107.764 156.374 -19.4397 189.495 10.0303 122.239 -70.546 99.3923 PRESSAVG: 2460600 -0.561809 -14.7517 43.6748 -14.7517 -29.6738 -2.6773 43.6748 -2.67731 7.08888 GPRESSAVG: 2460600 0.0309234 -14.8359 41.9782 -11.6868 -30.0186 -4.5247 45.5264 -2.4933 6.76718 TIMING: 2460600 CPU: 7685.71, 0.00310474/step Wall: 7685.71, 0.00310474/step, 2.19005 hours remaining, 235.164062 MB of memory in use. ENERGY: 2460600 3991.2292 20445.3444 14472.5582 272.1676 -203353.3316 2875.4798 0.0000 0.0000 52265.5838 -109030.9688 300.3710 -161296.5525 -108653.0305 299.6637 64.1152 94.1575 763029.2424 -7.7156 -7.7402 PRESSURE: 2460800 -424.607 36.0926 15.1257 36.0926 -69.4079 -74.5616 15.1258 -74.5609 -172.676 GPRESSURE: 2460800 -327.165 53.7833 0.126036 -70.5508 -112.742 -50.2863 -42.3097 -0.966787 -139.372 PRESSAVG: 2460800 -41.6637 -15.1485 -15.5772 -15.1483 46.5058 -16.3344 -15.5772 -16.3344 -19.8182 GPRESSAVG: 2460800 -41.8593 -14.4701 -14.3324 -17.6814 46.5907 -15.5551 -18.5566 -14.9741 -19.0079 TIMING: 2460800 CPU: 7686.32, 0.00309043/step Wall: 7686.32, 0.00309043/step, 2.17979 hours remaining, 235.164062 MB of memory in use. ENERGY: 2460800 3938.0220 20587.1810 14457.8673 256.2642 -202807.1013 2508.8396 0.0000 0.0000 52018.4040 -109040.5231 298.9505 -161058.9272 -108681.9747 299.3883 -222.2303 -193.0930 763335.7756 -4.9920 -4.7588 PRESSURE: 2461000 -428.858 185.056 -246.862 185.056 -132.849 -70.5768 -246.862 -70.5768 -324.174 GPRESSURE: 2461000 -337.777 244.87 -279.869 206.505 -151.079 -0.647327 -111.406 -177.552 -310.597 PRESSAVG: 2461000 29.6772 19.666 -4.08226 19.666 -32.3773 27.4922 -4.08224 27.4922 0.392902 GPRESSAVG: 2461000 28.2979 20.2786 -3.26989 19.2341 -33.0049 26.5508 -4.40469 26.9797 2.39284 TIMING: 2461000 CPU: 7686.94, 0.00309119/step Wall: 7686.94, 0.00309119/step, 2.18015 hours remaining, 235.164062 MB of memory in use. ENERGY: 2461000 4096.3977 20602.6731 14450.9199 248.3027 -203039.8940 2593.8495 0.0000 0.0000 52025.6417 -109022.1094 298.9921 -161047.7511 -108676.4742 299.0539 -295.2937 -266.4846 763787.5850 -0.7691 -0.7714 PRESSURE: 2461200 71.8976 29.4303 -130.939 29.4294 -410.915 -8.1272 -130.939 -8.12775 129.297 GPRESSURE: 2461200 134.077 -32.9845 -147.758 43.9449 -354.942 -22.7285 -75.2177 -28.9687 101.765 PRESSAVG: 2461200 16.5421 19.4455 29.4501 19.4456 4.04563 -54.8137 29.45 -54.8137 8.74826 GPRESSAVG: 2461200 16.7465 18.4496 27.1852 20.9383 4.37388 -55.3377 29.5623 -55.5731 7.72187 TIMING: 2461200 CPU: 7687.56, 0.00310343/step Wall: 7687.56, 0.00310343/step, 2.18861 hours remaining, 235.164062 MB of memory in use. ENERGY: 2461200 4047.4112 20550.1920 14487.2419 243.2776 -203400.2589 2823.4922 0.0000 0.0000 52150.4296 -109098.2144 299.7092 -161248.6440 -108732.1037 299.6855 -69.9068 -39.6998 762700.4135 9.7787 9.6141 PRESSURE: 2461400 -120.805 -78.308 -131.575 -78.3077 -236.214 -77.4541 -131.575 -77.4546 27.4136 GPRESSURE: 2461400 -46.8954 -132.184 -163.076 -117.276 -188.516 -93.5123 -90.8557 -85.5026 -13.7115 PRESSAVG: 2461400 -49.8404 18.1316 -19.1471 18.1316 24.1406 1.88717 -19.1471 1.8872 15.1621 GPRESSAVG: 2461400 -49.4832 19.4157 -19.4726 16.8532 23.3926 2.19187 -17.122 1.92984 15.6898 TIMING: 2461400 CPU: 7688.18, 0.00307471/step Wall: 7688.18, 0.00307471/step, 2.16818 hours remaining, 235.289062 MB of memory in use. ENERGY: 2461400 4051.7288 20382.0144 14487.2027 240.1471 -203163.8194 2420.9538 0.0000 0.0000 52237.9559 -109343.8167 300.2123 -161581.7727 -108971.9290 299.1754 -109.8685 -83.0408 760224.9867 -3.5126 -3.4669 PRESSURE: 2461600 72.4476 -225.511 37.6407 -225.511 21.6555 75.9533 37.6407 75.9531 -125.991 GPRESSURE: 2461600 58.6741 -190.576 30.0236 -149.166 81.2346 94.6775 3.71932 -33.9199 -78.6453 PRESSAVG: 2461600 -15.089 26.9504 -22.7016 26.9504 28.6313 4.37067 -22.7017 4.3707 -1.03001 GPRESSAVG: 2461600 -14.6262 28.6808 -22.469 25.9023 28.5277 3.8528 -24.5148 5.62425 -0.84665 TIMING: 2461600 CPU: 7688.8, 0.0030876/step Wall: 7688.8, 0.0030876/step, 2.1771 hours remaining, 235.289062 MB of memory in use. ENERGY: 2461600 4020.4747 20509.0400 14450.2596 256.7429 -203424.4493 2789.7664 0.0000 0.0000 52068.6176 -109329.5481 299.2391 -161398.1656 -108971.1336 299.3614 -10.6291 20.4211 762020.8551 4.1708 4.3516 PRESSURE: 2461800 -354.973 -1.87771 -114.586 -1.87805 -285.101 310.677 -114.586 310.676 -200.296 GPRESSURE: 2461800 -382.753 4.96698 -25.4467 72.7966 -210.845 304.919 -168.886 140.937 -155.229 PRESSAVG: 2461800 -10.3571 17.0475 18.684 17.0475 -3.963 -43.4347 18.684 -43.4347 14.538 GPRESSAVG: 2461800 -10.1499 14.5744 19.2645 18.9936 -3.38503 -41.1218 18.5508 -44.5209 14.5226 TIMING: 2461800 CPU: 7689.42, 0.00312229/step Wall: 7689.42, 0.00312229/step, 2.20139 hours remaining, 235.289062 MB of memory in use. ENERGY: 2461800 3993.6095 20589.6427 14383.3371 257.5552 -203481.6028 2867.4034 0.0000 0.0000 51932.7973 -109457.2577 298.4585 -161390.0550 -109093.7722 298.8093 -280.1234 -249.6088 763300.9744 0.0726 0.3292 PRESSURE: 2462000 -66.3728 33.6586 -83.8776 33.659 -18.4287 -186.748 -83.8775 -186.749 -208.991 GPRESSURE: 2462000 -22.6575 -16.3415 0.269658 0.328802 -49.1114 -192.69 -25.6162 -110.45 -132.923 PRESSAVG: 2462000 -19.2702 -1.69616 6.24962 -1.69621 -7.31133 -37.7079 6.24963 -37.7079 -0.941608 GPRESSAVG: 2462000 -19.7512 -2.53454 7.24258 -1.86349 -6.10239 -37.746 7.69956 -37.3919 -1.39107 TIMING: 2462000 CPU: 7690.04, 0.00310495/step Wall: 7690.04, 0.00310495/step, 2.18899 hours remaining, 235.289062 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: 2462000 4005.9275 20318.8622 14426.3448 255.5709 -203135.7498 2602.4715 0.0000 0.0000 51954.4514 -109572.1215 298.5829 -161526.5729 -109211.0741 298.2906 -97.9310 -68.2308 762496.3693 -9.1744 -9.0815 PRESSURE: 2462200 -289.185 -124.13 -194.573 -124.129 64.9796 -72.6675 -194.573 -72.6679 6.66805 GPRESSURE: 2462200 -229.497 -206.811 -190.443 -140.397 71.6909 -80.1788 -56.3231 -7.12672 17.5967 PRESSAVG: 2462200 -23.9634 -47.5987 46.3275 -47.5986 8.25192 -16.1439 46.3275 -16.1438 0.26392 GPRESSAVG: 2462200 -23.9491 -48.0695 47.244 -47.8514 8.58251 -18.0175 45.0139 -15.3874 -0.303296 TIMING: 2462200 CPU: 7690.66, 0.0030981/step Wall: 7690.66, 0.0030981/step, 2.18399 hours remaining, 235.289062 MB of memory in use. ENERGY: 2462200 3977.3469 20406.8444 14473.6162 258.7144 -203631.2246 2949.8826 0.0000 0.0000 52092.4366 -109472.3835 299.3759 -161564.8201 -109102.6057 298.3152 -72.5125 -46.7366 762464.8995 -5.1492 -5.2233 PRESSURE: 2462400 -141.86 48.2542 267.618 48.254 -67.1982 82.5147 267.618 82.5148 -290.792 GPRESSURE: 2462400 -120.582 34.0742 248.061 183.279 32.0726 105.616 257.127 167.894 -315.748 PRESSAVG: 2462400 19.1021 -5.27064 36.2852 -5.27054 41.9704 -35.2242 36.2852 -35.2243 -23.2452 GPRESSAVG: 2462400 18.4675 -3.74897 34.4247 -4.38226 42.8417 -33.9039 36.4561 -34.4662 -23.0746 TIMING: 2462400 CPU: 7691.28, 0.00308808/step Wall: 7691.28, 0.00308808/step, 2.17675 hours remaining, 235.289062 MB of memory in use. ENERGY: 2462400 3967.7350 20565.1579 14402.6857 261.2756 -203296.4733 2669.8656 0.0000 0.0000 52042.5440 -109387.2095 299.0892 -161429.7535 -109023.6732 298.7083 -166.6169 -134.7525 762076.0518 12.6091 12.7449 PRESSURE: 2462600 -134.764 -97.2939 377.598 -97.2931 380.003 -53.6153 377.598 -53.6153 -108.359 GPRESSURE: 2462600 -111.509 -24.8121 384.997 -161.257 426.766 -109.303 424.074 -266.374 -88.8422 PRESSAVG: 2462600 -19.8368 31.5765 39.2567 31.5765 29.1484 -107.223 39.2566 -107.223 1.25255 GPRESSAVG: 2462600 -19.4578 30.22 37.4667 30.5309 28.3973 -109.05 40.4859 -108.631 1.67369 TIMING: 2462600 CPU: 7691.9, 0.00309434/step Wall: 7691.9, 0.00309434/step, 2.18099 hours remaining, 235.289062 MB of memory in use. ENERGY: 2462600 3989.6646 20478.8988 14524.9483 252.9565 -203376.8622 2851.7878 0.0000 0.0000 52007.3194 -109271.2869 298.8868 -161278.6063 -108913.7188 298.4982 45.6268 75.4714 761704.5718 3.5214 3.5377 PRESSURE: 2462800 -72.1353 -8.82316 5.10711 -8.8229 -0.429472 154.988 5.10711 154.989 -227.544 GPRESSURE: 2462800 -68.34 -101.025 86.7021 -28.3662 70.1453 97.6562 6.49944 224.93 -206.208 PRESSAVG: 2462800 -61.4829 -12.2778 20.1789 -12.2779 80.7321 -26.3759 20.1789 -26.3758 -11.1665 GPRESSAVG: 2462800 -60.7551 -12.9514 21.7415 -11.2235 80.4705 -25.2393 20.472 -24.8416 -11.2006 TIMING: 2462800 CPU: 7692.51, 0.00307531/step Wall: 7692.51, 0.00307531/step, 2.16741 hours remaining, 235.289062 MB of memory in use. ENERGY: 2462800 4013.7394 20623.3000 14456.3805 252.2013 -203283.1370 2696.2237 0.0000 0.0000 51980.8638 -109260.4284 298.7347 -161241.2922 -108895.7122 298.6947 -100.0362 -68.1342 762335.2395 2.6942 2.8383 PRESSURE: 2463000 135.35 54.4932 -207.772 54.4933 -81.3345 -61.0874 -207.771 -61.0876 9.7707 GPRESSURE: 2463000 158.223 25.4042 -228.406 106.403 -65.6278 -90.2775 -127.602 -12.2832 51.5242 PRESSAVG: 2463000 77.7327 -4.3269 13.7899 -4.32687 -47.8153 14.6017 13.7899 14.6017 -25.8927 GPRESSAVG: 2463000 76.99 -1.55319 13.2537 -6.43678 -47.0601 13.0486 14.6231 13.2189 -25.6681 TIMING: 2463000 CPU: 7693.13, 0.00307233/step Wall: 7693.13, 0.00307233/step, 2.16514 hours remaining, 235.289062 MB of memory in use. ENERGY: 2463000 3976.9319 20475.5079 14390.5707 237.2118 -203817.1173 2989.8243 0.0000 0.0000 52233.4916 -109513.5791 300.1866 -161747.0707 -109156.8375 298.4429 21.2622 48.0400 762602.0472 1.3416 1.4206 PRESSURE: 2463200 -643.025 107.387 -193.418 107.387 -377.626 -92.4892 -193.417 -92.4903 -266.965 GPRESSURE: 2463200 -554.494 135.947 -265.32 93.2601 -346.302 -110.232 -95.4029 -169.435 -302.171 PRESSAVG: 2463200 -41.6698 66.3274 -16.6855 66.3275 8.92813 -33.3879 -16.6855 -33.3879 -3.74064 GPRESSAVG: 2463200 -40.6721 65.8233 -15.4063 69.1413 8.62475 -30.8867 -18.6358 -34.2435 -4.57202 TIMING: 2463200 CPU: 7693.74, 0.00308288/step Wall: 7693.74, 0.00308288/step, 2.1724 hours remaining, 235.289062 MB of memory in use. ENERGY: 2463200 3956.5191 20571.0296 14510.3024 243.5088 -202903.7020 2600.3824 0.0000 0.0000 51505.2975 -109516.6622 296.0017 -161021.9598 -109157.1887 297.7708 -429.2055 -400.9890 764161.2993 -12.1608 -12.2064 PRESSURE: 2463400 -207.041 -218.861 93.2181 -218.862 145.436 -45.4457 93.2183 -45.4445 -109.096 GPRESSURE: 2463400 -192.823 -179.991 136.345 -138.514 91.1647 21.7227 166.029 -57.9553 -5.97011 PRESSAVG: 2463400 -42.1135 10.9288 17.6982 10.9287 10.3959 37.9204 17.6982 37.9203 20.0501 GPRESSAVG: 2463400 -43.2026 10.7566 17.9483 10.536 11.0684 38.6025 18.1826 37.785 19.9004 TIMING: 2463400 CPU: 7694.36, 0.00307738/step Wall: 7694.36, 0.00307738/step, 2.16836 hours remaining, 235.289062 MB of memory in use. ENERGY: 2463400 3981.8979 20509.6834 14460.8072 250.3296 -203456.8221 3018.7735 0.0000 0.0000 51616.0669 -109619.2637 296.6382 -161235.3306 -109244.8740 298.0410 -56.9002 -35.8760 765047.4718 -3.8892 -4.0779 PRESSURE: 2463600 -374.071 -138.926 132.324 -138.926 -64.3895 59.6499 132.325 59.6518 120.623 GPRESSURE: 2463600 -311.307 -59.9542 118.851 -76.8887 47.239 90.9562 181.882 111.355 23.4434 PRESSAVG: 2463600 0.114013 -51.2189 -19.3457 -51.219 6.73037 8.17883 -19.3457 8.17876 -1.04864 GPRESSAVG: 2463600 1.0978 -50.3295 -19.7372 -51.7478 5.72288 6.99711 -22.794 11.0937 -0.0776679 TIMING: 2463600 CPU: 7694.97, 0.00307899/step Wall: 7694.97, 0.00307899/step, 2.16932 hours remaining, 235.289062 MB of memory in use. ENERGY: 2463600 3949.6355 20470.1758 14461.3409 265.9494 -203398.8824 2798.5197 0.0000 0.0000 52007.6427 -109445.6184 298.8886 -161453.2611 -109079.0169 298.0085 -105.9457 -80.2082 763150.2960 1.9319 2.2477 PRESSURE: 2463800 86.4306 212.065 103.919 212.065 -22.0859 -123.398 103.918 -123.398 97.1977 GPRESSURE: 2463800 189.585 250.73 6.31296 255.419 52.2698 -123.277 75.1296 -15.4806 18.5434 PRESSAVG: 2463800 15.6335 -5.48017 -46.6981 -5.48015 0.361187 37.23 -46.698 37.23 12.4051 GPRESSAVG: 2463800 16.2087 -5.00092 -45.4176 -7.02102 0.504826 37.6958 -43.0532 36.347 10.8138 TIMING: 2463800 CPU: 7695.59, 0.00308093/step Wall: 7695.59, 0.00308093/step, 2.17052 hours remaining, 235.289062 MB of memory in use. ENERGY: 2463800 3985.4648 20472.7251 14436.1106 237.9400 -203444.4176 2850.3035 0.0000 0.0000 52146.8891 -109314.9845 299.6889 -161461.8736 -108951.3021 299.1714 53.8475 86.7995 763400.2704 9.4666 9.1758 PRESSURE: 2464000 298.156 67.1746 323.922 67.1741 -101.2 -68.4515 323.922 -68.4512 -318.255 GPRESSURE: 2464000 336.917 74.2966 355.018 156.723 -34.6287 -55.9998 327.513 -231.809 -334.035 PRESSAVG: 2464000 26.9708 39.9693 -29.1519 39.9692 -10.4097 -6.33508 -29.1519 -6.33504 20.711 GPRESSAVG: 2464000 25.7729 37.9623 -30.1963 41.8139 -9.84151 -6.62709 -29.767 -8.05738 20.862 TIMING: 2464000 CPU: 7696.21, 0.00308082/step Wall: 7696.21, 0.00308082/step, 2.17026 hours remaining, 235.289062 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: 2464000 4001.8336 20400.3809 14460.5329 250.4004 -203849.6233 3029.7887 0.0000 0.0000 52188.1990 -109518.4878 299.9263 -161706.6868 -109151.4236 298.9728 -40.4329 -10.5823 762027.2987 12.4240 12.2644 PRESSURE: 2464200 13.47 73.7117 77.8332 73.7126 155.78 228.671 77.8334 228.67 390.385 GPRESSURE: 2464200 66.5403 32.6359 55.0059 -54.1224 221.048 248.515 203.44 212.289 382.392 PRESSAVG: 2464200 51.2087 -27.6442 -4.62334 -27.6442 -10.4911 10.0659 -4.62334 10.0659 12.0026 GPRESSAVG: 2464200 50.7568 -27.0715 -4.75404 -28.6431 -9.99971 11.3525 -4.91125 10.9562 12.4772 TIMING: 2464200 CPU: 7696.82, 0.00307764/step Wall: 7696.82, 0.00307764/step, 2.16785 hours remaining, 235.289062 MB of memory in use. ENERGY: 2464200 3941.7602 20625.6917 14488.8028 234.6031 -203428.4181 2898.1052 0.0000 0.0000 51653.1738 -109586.2814 296.8515 -161239.4552 -109220.1091 298.8038 186.5449 223.3267 762699.0064 17.5734 17.7448 LDB: ============= START OF LOAD BALANCING ============== 7709.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7709.3 LDB: =============== DONE WITH MIGRATION ================ 7709.3 LDB: ============= START OF LOAD BALANCING ============== 7709.61 LDB: Largest compute 7042 load 0.030715 is 15.7% of average load 0.195225 LDB: Average compute 0.004397 is 2.3% of average load 0.195225 LDB: TIME 7709.61 LOAD: AVG 0.195225 MAX 0.216441 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.312 MB LDB: TIME 7709.61 LOAD: AVG 0.195225 MAX 0.216441 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.312 MB LDB: TIME 7709.61 LOAD: AVG 0.195225 MAX 0.216441 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.312 MB LDB: ============== END OF LOAD BALANCING =============== 7709.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7709.62 PRESSURE: 2464400 192.75 -110.461 72.2196 -110.461 46.9142 -96.4841 72.2198 -96.4841 244.539 GPRESSURE: 2464400 185.468 -45.5725 82.2878 -125.699 73.6163 -87.9009 173.188 -77.2491 292.862 PRESSAVG: 2464400 44.6029 -47.8599 18.3992 -47.8599 -32.6016 37.5953 18.3993 37.5952 -8.16904 GPRESSAVG: 2464400 45.6392 -46.1523 18.3657 -48.532 -33.4607 35.7503 19.7906 37.6358 -8.31086 TIMING: 2464400 CPU: 7697.45, 0.00315741/step Wall: 7697.45, 0.00315741/step, 2.22387 hours remaining, 233.230469 MB of memory in use. ENERGY: 2464400 4043.8683 20543.6173 14469.9845 255.2655 -203298.7178 2639.4766 0.0000 0.0000 51861.1393 -109485.3662 298.0467 -161346.5056 -109132.6891 298.3048 161.4010 183.9821 760870.3183 1.2774 1.2892 PRESSURE: 2464600 -19.9226 79.8523 158.365 79.8513 35.4941 -92.4402 158.365 -92.4394 227.814 GPRESSURE: 2464600 -21.7368 111.901 316.836 38.4147 109.871 -149.059 127.329 -114.176 242.866 PRESSAVG: 2464600 -9.62869 7.06369 56.6515 7.06367 48.4757 44.7356 56.6515 44.7356 12.5001 GPRESSAVG: 2464600 -10.8626 4.91138 57.2696 9.9461 50.0286 45.6746 55.2855 42.6689 12.4746 TIMING: 2464600 CPU: 7698.07, 0.00305857/step Wall: 7698.07, 0.00305857/step, 2.15409 hours remaining, 233.230469 MB of memory in use. ENERGY: 2464600 3973.2626 20441.6025 14347.6824 239.4011 -203419.9839 2976.3358 0.0000 0.0000 52049.0479 -109392.6516 299.1266 -161441.6996 -109023.2981 298.5091 81.1284 110.3333 763408.3854 17.1157 17.2135 PRESSURE: 2464800 -111.672 -14.8992 -63.8014 -14.9004 -262.779 503.908 -63.8017 503.908 -191.813 GPRESSURE: 2464800 -74.2564 83.7653 -49.9866 -37.9614 -269.16 489.858 -23.0589 543.027 -126.835 PRESSAVG: 2464800 17.4493 9.06485 -20.3736 9.06486 -28.0308 72.5169 -20.3736 72.517 -14.3196 GPRESSAVG: 2464800 18.3674 10.7624 -20.8948 8.01491 -28.8057 70.2679 -18.8517 75.3254 -14.8267 TIMING: 2464800 CPU: 7698.68, 0.00307365/step Wall: 7698.68, 0.00307365/step, 2.16453 hours remaining, 233.230469 MB of memory in use. ENERGY: 2464800 4022.5040 20437.6055 14415.5844 238.8982 -202865.2652 2574.0145 0.0000 0.0000 51954.4232 -109222.2354 298.5828 -161176.6586 -108853.9999 298.6921 -188.7548 -156.7505 762567.9457 -8.3003 -8.4217 PRESSURE: 2465000 122.593 -125.083 38.2919 -125.084 -30.8404 -220.247 38.2919 -220.248 -416.653 GPRESSURE: 2465000 47.3887 -56.1926 -60.3552 -155.763 68.5493 -170.834 105.62 -100.555 -381.804 PRESSAVG: 2465000 -41.6953 -19.0864 51.1592 -19.0864 36.5077 31.0121 51.1592 31.0121 -10.1348 GPRESSAVG: 2465000 -42.9163 -17.6921 52.9931 -19.7449 37.3648 32.8557 49.2111 27.3928 -9.82557 TIMING: 2465000 CPU: 7699.29, 0.00306933/step Wall: 7699.29, 0.00306932/step, 2.16132 hours remaining, 233.230469 MB of memory in use. ENERGY: 2465000 4059.0317 20472.0320 14332.7611 234.7798 -203285.0835 2890.4749 0.0000 0.0000 52103.8324 -109192.1715 299.4414 -161296.0039 -108835.7029 298.6567 -108.3004 -88.6220 763545.1330 -5.1075 -5.1257 PRESSURE: 2465200 -423.677 -119.6 74.4986 -119.6 -322.608 60.79 74.4978 60.7898 -55.419 GPRESSURE: 2465200 -329.223 -100.825 40.3963 -7.97767 -260.82 54.8546 117.556 -17.3118 -143.767 PRESSAVG: 2465200 -24.4272 -10.5366 68.3817 -10.5366 11.8983 -53.7562 68.3817 -53.7562 1.95467 GPRESSAVG: 2465200 -23.9564 -12.6761 66.8355 -10.5152 11.1511 -55.1363 67.7138 -51.5688 1.80229 TIMING: 2465200 CPU: 7699.91, 0.00308254/step Wall: 7699.91, 0.00308254/step, 2.17045 hours remaining, 233.230469 MB of memory in use. ENERGY: 2465200 4007.3535 20508.0707 14477.8689 264.4599 -203084.5204 2566.0263 0.0000 0.0000 51932.7857 -109327.9553 298.4584 -161260.7410 -108978.9408 298.7764 -267.2347 -244.6034 764844.2115 -3.5248 -3.6677 PRESSURE: 2465400 219.3 -99.7319 -48.7779 -99.7321 171.949 -27.9735 -48.7776 -27.9736 234.918 GPRESSURE: 2465400 352.88 -39.219 -23.9355 -126.85 145.077 -39.7042 36.6269 -141.464 232.259 PRESSAVG: 2465400 13.4188 18.8039 -44.1866 18.8039 -43.2797 88.314 -44.1866 88.3141 16.8859 GPRESSAVG: 2465400 13.6033 19.1568 -45.4253 19.2225 -42.7436 89.3579 -40.2565 88.4966 16.2405 TIMING: 2465400 CPU: 7700.53, 0.00309336/step Wall: 7700.53, 0.00309336/step, 2.1779 hours remaining, 233.230469 MB of memory in use. ENERGY: 2465400 4032.6035 20462.2949 14365.5399 256.6010 -203546.6591 3029.3269 0.0000 0.0000 52248.9043 -109151.3886 300.2752 -161400.2929 -108787.4891 299.2340 208.7226 243.4049 761812.1551 -4.3250 -4.2999 PRESSURE: 2465600 -171.405 -114.211 190.04 -114.211 -9.75579 51.9492 190.04 51.9487 123.982 GPRESSURE: 2465600 -153.867 -91.7687 224.306 -88.6568 13.3201 77.1525 82.3642 100.562 181.56 PRESSAVG: 2465600 4.75055 52.7565 -9.22182 52.7564 -2.9485 11.3254 -9.22175 11.3255 -12.1891 GPRESSAVG: 2465600 5.57245 53.2319 -7.00762 53.2669 -4.0924 12.156 -12.7888 10.2978 -12.0321 TIMING: 2465600 CPU: 7701.15, 0.00309037/step Wall: 7701.15, 0.00309037/step, 2.17562 hours remaining, 233.230469 MB of memory in use. ENERGY: 2465600 4063.7459 20521.9128 14418.1028 262.2039 -203273.6136 2739.6939 0.0000 0.0000 52117.9205 -109150.0338 299.5224 -161267.9543 -108790.7175 299.6792 -19.0595 13.6709 761500.7319 -3.4623 -3.5173 PRESSURE: 2465800 173.652 -48.6087 -165.581 -48.6087 -118.569 -140.352 -165.581 -140.354 241.549 GPRESSURE: 2465800 267.681 -132.929 -113.848 -70.8368 -122.548 -133.807 -138.741 -11.4601 227.344 PRESSAVG: 2465800 31.7317 -36.6918 -16.3518 -36.6918 -76.0752 22.3195 -16.3517 22.3195 -5.43451 GPRESSAVG: 2465800 32.013 -39.0139 -17.1751 -35.2794 -76.4198 21.4086 -13.9313 23.6181 -4.62549 TIMING: 2465800 CPU: 7701.77, 0.00308795/step Wall: 7701.77, 0.00308794/step, 2.17374 hours remaining, 233.230469 MB of memory in use. ENERGY: 2465800 4013.1214 20649.8630 14430.4766 242.7056 -203868.8333 3104.9484 0.0000 0.0000 52224.8441 -109202.8742 300.1369 -161427.7183 -108836.5798 299.8862 98.8773 124.1590 762360.5274 -16.5927 -16.3441 PRESSURE: 2466000 105.788 65.6044 125.513 65.6041 -205.964 -73.7667 125.513 -73.7678 -384.18 GPRESSURE: 2466000 108.425 139.464 96.9213 158.35 -66.1537 -106.939 157.379 -40.7792 -434.532 PRESSAVG: 2466000 27.9988 -31.361 15.8103 -31.361 -54.2693 59.8937 15.8104 59.8938 -8.76971 GPRESSAVG: 2466000 26.2865 -30.103 15.5846 -31.9509 -51.9009 60.0228 15.3165 60.813 -9.4239 TIMING: 2466000 CPU: 7702.38, 0.00309513/step Wall: 7702.38, 0.00309513/step, 2.17863 hours remaining, 233.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2466000 3924.8481 20484.7404 14430.4092 252.2230 -203730.3572 2877.4590 0.0000 0.0000 52308.2407 -109452.4369 300.6162 -161760.6776 -109085.7612 298.9805 -161.4519 -130.7534 763952.5401 -11.6801 -11.6794 PRESSURE: 2466200 199.968 -150.388 -134.382 -150.387 -268.926 -75.2079 -134.382 -75.2084 -243.423 GPRESSURE: 2466200 133.446 -128.831 -120.918 -31.1868 -110.025 1.82563 -124.069 -21.367 -246.187 PRESSAVG: 2466200 17.097 20.5033 10.5513 20.5034 -11.5036 -2.14879 10.5513 -2.14886 -2.23569 GPRESSAVG: 2466200 17.6902 21.2642 10.7167 20.2247 -12.2377 -1.31837 7.43414 -3.51283 -1.55413 TIMING: 2466200 CPU: 7703, 0.00309716/step Wall: 7703, 0.00309716/step, 2.17988 hours remaining, 233.230469 MB of memory in use. ENERGY: 2466200 4079.6481 20499.6689 14478.9430 212.4161 -203617.1041 3110.6395 0.0000 0.0000 51801.6149 -109434.1735 297.7046 -161235.7884 -109079.7364 298.6419 -104.1270 -74.2554 764221.7041 1.1193 1.2995 PRESSURE: 2466400 -18.1776 -100.749 46.105 -100.749 122.492 -28.2595 46.1048 -28.2586 -92.8736 GPRESSURE: 2466400 -38.8662 -85.9671 39.9049 -50.4661 226.539 -132.867 36.8388 30.3164 -93.5263 PRESSAVG: 2466400 -3.04617 -40.0811 -42.281 -40.0811 9.93673 -7.43766 -42.2811 -7.43778 -1.92807 GPRESSAVG: 2466400 -2.68348 -41.514 -43.4722 -41.9624 9.76982 -7.79062 -39.3374 -7.74823 -2.28012 TIMING: 2466400 CPU: 7703.63, 0.00311577/step Wall: 7703.63, 0.00311577/step, 2.19281 hours remaining, 233.230469 MB of memory in use. ENERGY: 2466400 4022.4955 20496.0899 14480.3096 249.7416 -203338.2957 2743.3474 0.0000 0.0000 52119.1176 -109227.1941 299.5293 -161346.3118 -108849.8948 298.9861 3.8137 31.3823 764535.2693 1.6542 1.6021 PRESSURE: 2466600 -435.2 -121.127 272.371 -121.129 12.4404 -10.7073 272.372 -10.707 160.566 GPRESSURE: 2466600 -359.194 -161.079 221.053 -45.5543 48.9085 18.1109 191.891 9.08776 132.573 PRESSAVG: 2466600 -61.7539 -20.3899 -26.9245 -20.3898 63.8248 12.7629 -26.9245 12.7629 -11.5367 GPRESSAVG: 2466600 -62.5323 -19.2873 -25.2915 -17.7821 64.1076 14.1016 -28.0354 10.4174 -11.1923 TIMING: 2466600 CPU: 7704.25, 0.00310182/step Wall: 7704.25, 0.00310181/step, 2.18282 hours remaining, 233.230469 MB of memory in use. ENERGY: 2466600 3968.7685 20678.4561 14418.4184 244.8610 -203215.1197 2766.1408 0.0000 0.0000 51920.1632 -109218.3116 298.3859 -161138.4748 -108847.3518 299.2468 -87.3977 -59.2372 762860.5329 -3.1553 -3.2057 PRESSURE: 2466800 205.482 249.853 -113.237 249.852 -273.011 97.8465 -113.236 97.8466 385.826 GPRESSURE: 2466800 220.994 197.557 -121.534 209.826 -103.723 -13.4141 -79.5863 32.5647 299.459 PRESSAVG: 2466800 -39.6955 4.91327 1.57641 4.91319 13.9885 6.62664 1.57642 6.62658 13.8025 GPRESSAVG: 2466800 -38.293 3.50317 0.463236 3.47931 13.4688 6.18057 1.41813 7.37405 13.4437 TIMING: 2466800 CPU: 7704.87, 0.00309377/step Wall: 7704.87, 0.00309377/step, 2.17698 hours remaining, 233.230469 MB of memory in use. ENERGY: 2466800 4063.4816 20656.5271 14507.1019 234.8381 -203029.8989 2589.8181 0.0000 0.0000 51797.9202 -109180.2120 297.6834 -160978.1322 -108827.9328 299.4308 106.0991 138.9102 761168.5577 -3.9682 -3.7935 PRESSURE: 2467000 -54.1011 -305.025 -59.8863 -305.025 -99.5463 82.5987 -59.8864 82.5987 -69.1786 GPRESSURE: 2467000 -32.395 -272.658 -31.0268 -302.44 -45.9672 101.068 4.689 75.5301 -73.9604 PRESSAVG: 2467000 10.3357 25.5504 -12.8096 25.5505 -34.528 -18.8008 -12.8097 -18.8007 -1.74049 GPRESSAVG: 2467000 9.18354 28.5683 -11.4604 26.2607 -33.9836 -18.7603 -10.7246 -17.3684 -1.21126 TIMING: 2467000 CPU: 7705.49, 0.00309875/step Wall: 7705.49, 0.00309875/step, 2.18032 hours remaining, 233.230469 MB of memory in use. ENERGY: 2467000 4062.5141 20527.7489 14488.9779 239.3610 -203567.2552 2901.2691 0.0000 0.0000 52068.0795 -109279.3047 299.2360 -161347.3842 -108908.3161 299.2109 -74.2753 -50.7742 762334.6964 -8.6443 -8.6705 PRESSURE: 2467200 -64.0461 -158.315 -153.871 -158.315 -179.485 132.866 -153.872 132.866 -226.549 GPRESSURE: 2467200 -30.7405 -143.319 -176.575 -129.325 -155.695 207.097 -127.425 36.8248 -214.011 PRESSAVG: 2467200 21.9631 -15.8622 -0.253949 -15.8621 -43.8927 32.0541 -0.253937 32.0541 -0.60496 GPRESSAVG: 2467200 21.248 -18.0099 -0.0714771 -16.5124 -43.4516 31.6182 -2.63753 30.2216 -0.465457 TIMING: 2467200 CPU: 7706.1, 0.003087/step Wall: 7706.1, 0.003087/step, 2.17188 hours remaining, 233.230469 MB of memory in use. ENERGY: 2467200 4099.1990 20431.4992 14453.2327 244.3737 -203355.5499 2693.0051 0.0000 0.0000 52167.6575 -109266.5826 299.8082 -161434.2401 -108904.5462 299.2748 -156.6935 -133.4821 762948.2323 -7.5115 -7.5564 PRESSURE: 2467400 -223.302 246.067 177.802 246.067 -144.745 -155.155 177.802 -155.155 -18.7011 GPRESSURE: 2467400 -199.502 281.108 129.343 200.411 -73.5167 -28.6987 18.5723 -255.818 -14.149 PRESSAVG: 2467400 15.3188 -55.0387 -16.9446 -55.0388 -6.68378 -0.244302 -16.9446 -0.244322 -12.9574 GPRESSAVG: 2467400 16.9115 -54.9301 -17.6434 -54.341 -7.69528 -1.38916 -16.445 1.86716 -13.2073 TIMING: 2467400 CPU: 7706.72, 0.003095/step Wall: 7706.72, 0.003095/step, 2.17733 hours remaining, 233.230469 MB of memory in use. ENERGY: 2467400 3985.9307 20413.1512 14434.2524 249.7227 -202961.4743 2570.8782 0.0000 0.0000 51824.2017 -109483.3373 297.8344 -161307.5390 -109128.1158 298.6641 -128.9159 -95.7225 763676.9099 -1.4408 -1.3304 PRESSURE: 2467600 -168.366 -16.5732 45.2909 -16.5728 -49.4694 133.126 45.2912 133.127 -326.833 GPRESSURE: 2467600 -44.2986 88.9425 48.3196 45.2339 -108.667 201.839 -10.5477 123.526 -291.98 PRESSAVG: 2467600 38.5342 25.0557 2.48975 25.0557 -20.0466 10.569 2.48975 10.569 13.5745 GPRESSAVG: 2467600 38.8755 25.8543 4.24063 24.6359 -20.1405 11.9689 1.94419 9.35252 13.3974 TIMING: 2467600 CPU: 7707.34, 0.00310019/step Wall: 7707.34, 0.00310019/step, 2.18081 hours remaining, 233.230469 MB of memory in use. ENERGY: 2467600 4020.2480 20344.0687 14502.9882 253.1176 -203473.2938 2925.9267 0.0000 0.0000 52172.9861 -109253.9584 299.8389 -161426.9445 -108891.5309 299.0359 -181.5561 -148.3151 763356.5201 10.6874 10.7108 PRESSURE: 2467800 -56.8069 3.65401 41.3149 3.65449 -369.956 58.7819 41.3151 58.7827 -115.821 GPRESSURE: 2467800 27.9318 40.775 19.7135 -11.0949 -299.189 43.4165 118.677 168.389 -172.826 PRESSAVG: 2467800 51.4984 10.7102 37.1942 10.7101 -45.3041 25.9041 37.1942 25.9041 2.28414 GPRESSAVG: 2467800 50.6707 10.9678 35.9298 10.8976 -43.5945 25.1722 36.8676 26.2643 1.25264 TIMING: 2467800 CPU: 7707.96, 0.00308927/step Wall: 7707.96, 0.00308927/step, 2.17296 hours remaining, 233.230469 MB of memory in use. ENERGY: 2467800 3994.8224 20555.4898 14525.6319 268.5896 -203523.0127 2820.6997 0.0000 0.0000 52250.2219 -109107.5573 300.2827 -161357.7792 -108743.0746 299.1952 -180.8612 -148.0278 763275.0161 2.8262 2.7763 PRESSURE: 2468000 202.534 375.682 -210.838 375.682 -145.261 -30.4236 -210.839 -30.4243 -23.5489 GPRESSURE: 2468000 242.615 300.392 -137.929 234.256 -176.607 -112.221 -85.9807 -39.2987 47.5881 PRESSAVG: 2468000 33.199 19.6921 -22.0651 19.6921 -50.0877 22.8336 -22.0652 22.8336 22.9539 GPRESSAVG: 2468000 32.4058 18.8878 -20.8832 19.2446 -51.1595 21.9089 -21.7062 23.0741 25.1036 TIMING: 2468000 CPU: 7708.58, 0.00310457/step Wall: 7708.58, 0.00310457/step, 2.18355 hours remaining, 233.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2468000 3985.7611 20590.3866 14387.5366 250.0514 -203214.0541 2771.7708 0.0000 0.0000 52198.4277 -109030.1198 299.9851 -161228.5475 -108662.0778 299.7733 11.2414 37.8654 762806.4883 2.0217 2.1166 PRESSURE: 2468200 -54.6837 -128.524 -230.557 -128.525 -120.629 192.48 -230.558 192.48 74.0668 GPRESSURE: 2468200 91.0006 -151.922 -164.975 -141.034 -180.761 145.106 -253.604 172.213 71.3957 PRESSAVG: 2468200 -20.9809 3.55789 -19.9417 3.55796 13.0309 30.5579 -19.9418 30.558 -9.55787 GPRESSAVG: 2468200 -19.7011 2.75793 -20.0585 4.86567 13.1475 29.2101 -21.3979 30.2017 -10.8073 TIMING: 2468200 CPU: 7709.2, 0.00309597/step Wall: 7709.2, 0.00309597/step, 2.17733 hours remaining, 233.230469 MB of memory in use. ENERGY: 2468200 3953.0087 20494.8532 14405.3874 274.5269 -203135.2773 2737.5458 0.0000 0.0000 52268.9042 -109001.0510 300.3901 -161269.9553 -108634.8642 299.5580 -33.7485 -6.1217 762152.3483 -5.8360 -5.7870 LDB: ============= START OF LOAD BALANCING ============== 7721.67 LDB: ============== END OF LOAD BALANCING =============== 7721.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7721.68 LDB: ============= START OF LOAD BALANCING ============== 7721.98 LDB: Largest compute 7030 load 0.028216 is 14.5% of average load 0.195107 LDB: Average compute 0.004394 is 2.3% of average load 0.195107 LDB: TIME 7721.99 LOAD: AVG 0.195107 MAX 0.218267 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.535 MB LDB: TIME 7721.99 LOAD: AVG 0.195107 MAX 0.218267 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.738 MB LDB: TIME 7721.99 LOAD: AVG 0.195107 MAX 0.217378 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.738 MB LDB: ============== END OF LOAD BALANCING =============== 7721.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7722 PRESSURE: 2468400 -33.1812 -211.81 88.5955 -211.81 41.5047 62.6052 88.595 62.6044 -228.161 GPRESSURE: 2468400 -32.1963 -163.355 -13.249 -108.053 133.745 14.4044 123.129 17.739 -247.069 PRESSAVG: 2468400 -17.6506 -13.3415 14.7441 -13.3415 16.576 65.5638 14.7441 65.5638 -11.8987 GPRESSAVG: 2468400 -17.7699 -12.0635 13.831 -14.1135 16.4004 67.4717 15.9395 65.5541 -11.2437 TIMING: 2468400 CPU: 7709.83, 0.00314855/step Wall: 7709.83, 0.00314855/step, 2.21413 hours remaining, 234.253906 MB of memory in use. ENERGY: 2468400 4100.1023 20623.8444 14375.7651 243.6965 -203343.1666 2933.4244 0.0000 0.0000 51719.8789 -109346.4550 297.2349 -161066.3339 -108996.7793 298.9867 -73.2792 -48.5070 763060.4435 -4.3244 -4.2044 PRESSURE: 2468600 185.339 176.822 -125.127 176.822 1.47907 152.981 -125.127 152.982 443.377 GPRESSURE: 2468600 201.852 218.021 -53.5749 232.604 52.6002 163.417 -121.546 137.137 474.764 PRESSAVG: 2468600 6.70133 21.3308 23.3463 21.3307 -6.96153 7.74905 23.3464 7.74897 9.8812 GPRESSAVG: 2468600 5.72484 22.9613 21.6499 21.5718 -6.56412 6.87032 21.8049 7.39307 10.6596 TIMING: 2468600 CPU: 7710.45, 0.00309737/step Wall: 7710.45, 0.00309737/step, 2.17797 hours remaining, 234.457031 MB of memory in use. ENERGY: 2468600 3931.4091 20635.3852 14370.4353 260.3790 -203415.2481 2950.0701 0.0000 0.0000 51876.9900 -109390.5793 298.1378 -161267.5694 -109028.7662 298.6229 210.0648 243.0721 761950.8529 3.2070 3.2734 PRESSURE: 2468800 -20.2585 19.6226 -31.1904 19.622 194.971 -61.4997 -31.1911 -61.4992 -118.03 GPRESSURE: 2468800 -15.3327 31.7909 -16.7449 -44.1284 173.126 95.855 85.3724 -207.481 -14.158 PRESSAVG: 2468800 65.0938 50.3033 -37.8158 50.3032 -19.818 54.1337 -37.8157 54.1336 -0.584911 GPRESSAVG: 2468800 65.5769 48.337 -36.493 51.0817 -19.4135 55.6524 -35.2122 53.2921 -1.93428 TIMING: 2468800 CPU: 7711.07, 0.00310269/step Wall: 7711.07, 0.00310269/step, 2.18154 hours remaining, 234.457031 MB of memory in use. ENERGY: 2468800 4044.2128 20496.1526 14424.8138 245.7786 -203193.0804 2842.1452 0.0000 0.0000 51911.9234 -109228.0539 298.3385 -161139.9773 -108863.6804 298.7261 18.8941 47.8784 764557.5335 14.8969 14.7430 PRESSURE: 2469000 -67.9068 42.0913 -59.86 42.0917 -241.073 -136.317 -59.8604 -136.316 223.708 GPRESSURE: 2469000 9.98068 102.573 -44.8428 198.34 -169.115 -104.801 -54.397 -174.797 165.975 PRESSAVG: 2469000 -19.3404 56.152 -35.8526 56.152 -16.0846 -10.9933 -35.8526 -10.9934 -19.5239 GPRESSAVG: 2469000 -18.6165 57.8184 -36.6072 55.5316 -17.4042 -11.5428 -36.6475 -10.7026 -19.1101 TIMING: 2469000 CPU: 7711.69, 0.00311206/step Wall: 7711.69, 0.00311206/step, 2.18795 hours remaining, 234.457031 MB of memory in use. ENERGY: 2469000 3984.8527 20465.7305 14417.9677 239.8884 -202727.6341 2631.4430 0.0000 0.0000 51923.8851 -109063.8668 298.4073 -160987.7519 -108703.6100 298.8545 -28.4240 2.2804 764264.7757 -18.3163 -18.3769 PRESSURE: 2469200 416.459 199.88 -43.4303 199.881 195.867 -45.9455 -43.4315 -45.9448 254.268 GPRESSURE: 2469200 340.474 333.456 45.724 240.833 293.174 -28.8163 -16.35 -68.1346 300.419 PRESSAVG: 2469200 -12.8867 15.2268 2.59603 15.2268 -1.13492 38.0013 2.59603 38.0013 -13.2723 GPRESSAVG: 2469200 -14.0653 13.9524 5.7672 14.5508 -0.665923 39.45 -0.15766 37.1966 -12.0925 TIMING: 2469200 CPU: 7712.32, 0.00311816/step Wall: 7712.32, 0.00311816/step, 2.19207 hours remaining, 234.457031 MB of memory in use. ENERGY: 2469200 3966.9097 20660.8047 14451.9328 242.2308 -203393.5506 2985.8306 0.0000 0.0000 51802.4851 -109283.3569 297.7096 -161085.8420 -108929.3454 298.5756 288.8647 311.3557 763699.2006 -9.0980 -8.9412 PRESSURE: 2469400 -489.668 286.492 -146.209 286.492 -359.229 242.579 -146.209 242.578 -34.7458 GPRESSURE: 2469400 -428.234 281.975 -134.028 185.539 -316.491 368.914 -95.1737 150.088 -63.9465 PRESSAVG: 2469400 -24.5952 15.6196 -19.7732 15.6196 40.5289 54.3731 -19.7732 54.3731 -5.23861 GPRESSAVG: 2469400 -24.1131 16.882 -20.202 15.2855 41.0907 54.0966 -16.616 55.6494 -7.09684 TIMING: 2469400 CPU: 7712.94, 0.00310031/step Wall: 7712.94, 0.00310031/step, 2.17935 hours remaining, 234.457031 MB of memory in use. ENERGY: 2469400 4072.8808 20564.1334 14462.9894 251.8862 -202992.3770 2587.5714 0.0000 0.0000 51946.0474 -109106.8685 298.5346 -161052.9159 -108745.9636 298.8968 -294.5476 -269.5572 764121.8544 3.5650 3.2936 PRESSURE: 2469600 156.641 -52.3671 -0.842453 -52.3675 -65.8204 -183.382 -0.842453 -183.38 -179.652 GPRESSURE: 2469600 162.829 14.5353 32.6793 45.3438 -44.0892 -83.4859 -56.3706 -122.772 -131.584 PRESSAVG: 2469600 -16.5436 56.9015 -58.3704 56.9015 27.8158 18.702 -58.3704 18.702 -3.10733 GPRESSAVG: 2469600 -16.2206 55.7519 -60.6402 56.5448 27.1933 17.7958 -59.0132 18.7457 -2.57571 TIMING: 2469600 CPU: 7713.55, 0.00308453/step Wall: 7713.55, 0.00308453/step, 2.16808 hours remaining, 234.457031 MB of memory in use. ENERGY: 2469600 3953.9407 20648.6492 14440.1032 257.3105 -203112.5632 2639.6133 0.0000 0.0000 51996.2484 -109176.6979 298.8232 -161172.9463 -108810.6934 299.0737 -29.6104 -4.2816 763437.6106 2.7216 2.7990 PRESSURE: 2469800 -554.933 -72.6116 65.9444 -72.6109 -468.952 292.361 65.9446 292.361 -24.2153 GPRESSURE: 2469800 -450.33 -61.4469 54.2174 -139.971 -486.401 271.184 -7.72777 315.011 -29.2878 PRESSAVG: 2469800 -6.85973 -20.0424 -1.00229 -20.0424 21.5391 40.9774 -1.00229 40.9774 2.00636 GPRESSAVG: 2469800 -6.35726 -19.6853 1.12128 -17.178 22.6369 40.9232 -2.19043 43.0908 0.921337 TIMING: 2469800 CPU: 7714.17, 0.00310063/step Wall: 7714.17, 0.00310063/step, 2.17923 hours remaining, 234.457031 MB of memory in use. ENERGY: 2469800 4014.6662 20659.7787 14412.8147 240.9118 -202724.3582 2287.5828 0.0000 0.0000 51876.0123 -109232.5917 298.1322 -161108.6040 -108866.5493 299.0290 -349.3667 -322.0064 764310.8408 5.5619 5.7337 PRESSURE: 2470000 -367.472 29.1494 -128.195 29.1504 152.117 -46.6102 -128.195 -46.6091 336.702 GPRESSURE: 2470000 -295.931 -79.0272 -92.3134 32.8057 123.846 -62.6672 -56.8977 -5.96518 363.988 PRESSAVG: 2470000 -18.8841 14.7235 -12.1429 14.7236 20.9687 0.434873 -12.1429 0.434813 2.13991 GPRESSAVG: 2470000 -19.3902 15.1091 -14.4147 12.0977 20.4363 2.45942 -10.8443 -1.59851 3.32493 TIMING: 2470000 CPU: 7714.8, 0.00311071/step Wall: 7714.8, 0.00311071/step, 2.18614 hours remaining, 234.457031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2470000 4059.6027 20744.3157 14347.7434 262.0455 -203537.8148 2901.3207 0.0000 0.0000 52134.9938 -109087.7930 299.6205 -161222.7868 -108730.0229 299.2848 40.4490 63.9677 762590.0311 1.4082 1.4570 PRESSURE: 2470200 290.483 157.494 120.234 157.495 232.653 244.891 120.235 244.89 204.646 GPRESSURE: 2470200 312.208 234.499 127.565 125.17 260.581 307.354 185 279 230.563 PRESSAVG: 2470200 -63.148 8.53228 39.5772 8.53224 62.2514 18.7292 39.5772 18.7293 -18.2803 GPRESSAVG: 2470200 -62.709 6.6287 39.6231 11.1551 63.027 17.6706 38.4239 18.1642 -19.3342 TIMING: 2470200 CPU: 7715.42, 0.00310423/step Wall: 7715.42, 0.00310423/step, 2.18141 hours remaining, 234.457031 MB of memory in use. ENERGY: 2470200 3971.6851 20677.5949 14416.7910 247.9526 -203336.2752 2863.5995 0.0000 0.0000 52249.4012 -108909.2509 300.2780 -161158.6522 -108545.1001 299.9403 242.5938 267.7838 761434.1460 -6.3923 -6.3388 PRESSURE: 2470400 -102.984 79.2608 -65.9577 79.2614 365.899 167.255 -65.9579 167.256 84.334 GPRESSURE: 2470400 -63.3631 -44.0779 -133.012 128.486 336.924 71.79 185.915 77.845 156.861 PRESSAVG: 2470400 -49.926 34.9403 17.0256 34.9403 84.8292 18.6385 17.0256 18.6385 1.21493 GPRESSAVG: 2470400 -49.5748 35.1733 16.7643 35.0028 83.0139 17.4006 17.912 18.4835 3.0619 TIMING: 2470400 CPU: 7716.03, 0.00308616/step Wall: 7716.03, 0.00308616/step, 2.16854 hours remaining, 234.457031 MB of memory in use. ENERGY: 2470400 4020.9076 20472.3851 14412.7079 244.3208 -203131.2642 2779.3481 0.0000 0.0000 52185.3792 -109016.2153 299.9101 -161201.5946 -108647.8821 299.9477 115.7496 143.4739 763317.1707 12.0394 12.1670 PRESSURE: 2470600 137.292 -47.7621 135.55 -47.7623 -402.919 -197.473 135.55 -197.472 235.135 GPRESSURE: 2470600 115.808 -17.2625 125.285 -1.55618 -376.235 -117.321 187.679 -169.591 329.478 PRESSAVG: 2470600 -4.33202 52.474 35.7614 52.474 76.7228 36.396 35.7615 36.3959 -12.5548 GPRESSAVG: 2470600 -4.74854 52.1949 36.188 50.4658 77.7824 35.7635 36.6458 39.2067 -13.4024 TIMING: 2470600 CPU: 7716.65, 0.00309577/step Wall: 7716.65, 0.00309577/step, 2.17512 hours remaining, 234.457031 MB of memory in use. ENERGY: 2470600 3997.1571 20430.6420 14511.1156 238.9253 -203357.9617 2912.3284 0.0000 0.0000 52140.0885 -109127.7048 299.6498 -161267.7933 -108772.3680 299.1547 -10.1641 23.0169 760683.8665 19.9453 19.8771 PRESSURE: 2470800 -195.047 -153.643 135.559 -153.643 -67.6022 -2.74207 135.559 -2.7411 197.163 GPRESSURE: 2470800 -183.432 -39.8285 75.0513 -64.9464 -82.4307 21.1906 152.653 25.0712 263.584 PRESSAVG: 2470800 -22.1552 3.21054 -5.5585 3.21053 -1.52319 18.0504 -5.55847 18.0504 -22.7255 GPRESSAVG: 2470800 -22.5003 5.07691 -6.51285 3.74119 -1.0133 18.926 -4.7236 17.8126 -23.0462 TIMING: 2470800 CPU: 7717.27, 0.00309323/step Wall: 7717.27, 0.00309323/step, 2.17316 hours remaining, 234.457031 MB of memory in use. ENERGY: 2470800 3968.0953 20493.4329 14429.7941 240.8588 -203056.5401 2626.3657 0.0000 0.0000 51856.7142 -109441.2791 298.0212 -161297.9933 -109075.7122 299.5113 -21.8285 -0.7596 761878.5887 -15.4679 -15.5200 PRESSURE: 2471000 -287.965 143.142 238.415 143.142 -19.0894 49.6064 238.416 49.6073 -265.59 GPRESSURE: 2471000 -307.472 3.94957 180.079 174.438 -14.3999 218.259 5.29788 133.473 -162.078 PRESSAVG: 2471000 -22.3645 -3.84646 -9.31242 -3.84641 41.4388 32.5024 -9.31239 32.5024 -0.941004 GPRESSAVG: 2471000 -23.0418 -5.72398 -8.59186 -2.81788 40.8412 32.9166 -11.5949 31.8515 -0.0240368 TIMING: 2471000 CPU: 7717.89, 0.00309598/step Wall: 7717.89, 0.00309598/step, 2.17492 hours remaining, 234.457031 MB of memory in use. ENERGY: 2471000 4040.4333 20444.0196 14424.6140 245.9257 -203423.6219 2804.6739 0.0000 0.0000 51933.8583 -109530.0970 298.4646 -161463.9553 -109173.5446 298.6973 -190.8815 -161.3165 761456.5497 6.0444 5.9251 PRESSURE: 2471200 120.596 170.657 -143.538 170.656 61.4943 -14.6576 -143.538 -14.6576 -173.231 GPRESSURE: 2471200 122.662 144.011 -92.5168 251.764 71.7607 48.5766 -6.78154 26.4484 -106.612 PRESSAVG: 2471200 -32.3384 23.3723 -13.8147 23.3723 114.813 -6.8223 -13.8147 -6.82227 12.4682 GPRESSAVG: 2471200 -31.8201 24.1577 -14.5678 23.7669 115.996 -6.59548 -13.1399 -5.08038 11.0818 TIMING: 2471200 CPU: 7718.51, 0.00310222/step Wall: 7718.51, 0.00310222/step, 2.17914 hours remaining, 234.457031 MB of memory in use. ENERGY: 2471200 3974.0607 20479.0081 14389.1766 262.3757 -203351.8118 2859.1997 0.0000 0.0000 51936.0093 -109451.9818 298.4770 -161387.9911 -109093.0033 298.7028 2.9530 29.2704 763344.5002 31.6477 31.7526 PRESSURE: 2471400 -446.537 -67.9156 -62.9739 -67.9158 -358.107 -75.8314 -62.9738 -75.8318 -462.783 GPRESSURE: 2471400 -431.27 39.5391 -63.9943 -99.599 -288.212 -137.31 -121.607 -72.1019 -463.225 PRESSAVG: 2471400 10.7807 -14.2205 -19.8483 -14.2206 -17.6751 -12.0268 -19.8483 -12.0268 -3.75219 GPRESSAVG: 2471400 9.88063 -13.0289 -19.499 -16.0653 -18.335 -12.6218 -20.9714 -14.5831 -2.0997 TIMING: 2471400 CPU: 7719.13, 0.00309065/step Wall: 7719.13, 0.00309065/step, 2.17084 hours remaining, 234.457031 MB of memory in use. ENERGY: 2471400 3979.6826 20629.3149 14462.8859 252.0911 -203625.6045 2740.7621 0.0000 0.0000 51874.5765 -109686.2913 298.1239 -161560.8678 -109323.8302 298.5265 -422.4758 -394.2357 764495.6531 -3.5489 -3.5180 PRESSURE: 2471600 -72.9586 -79.3338 -42.9162 -79.3341 -202.527 209.885 -42.9156 209.884 -45.8344 GPRESSURE: 2471600 -100.746 -37.2811 -84.3725 -131.847 -110.889 118.456 -37.2608 98.7276 -21.0412 PRESSAVG: 2471600 -28.3378 0.853548 -27.8683 0.853578 51.2095 -4.94632 -27.8683 -4.94635 -17.0259 GPRESSAVG: 2471600 -28.267 -2.6995 -26.9702 0.90336 50.7141 -4.92385 -27.5801 -5.05635 -17.3619 TIMING: 2471600 CPU: 7719.75, 0.00310541/step Wall: 7719.75, 0.00310541/step, 2.18103 hours remaining, 234.457031 MB of memory in use. ENERGY: 2471600 3910.5604 20321.6289 14486.9356 253.2685 -203345.5183 2719.0284 0.0000 0.0000 51995.0923 -109659.0042 298.8165 -161654.0965 -109297.4540 298.1384 -107.1065 -77.5586 763444.6718 1.9486 1.6951 PRESSURE: 2471800 -216.536 -2.54119 29.1144 -2.54041 -75.3057 -7.82781 29.1154 -7.82775 -94.7681 GPRESSURE: 2471800 -229.391 -11.3019 29.7368 0.859073 -91.4734 -64.4759 14.8458 -75.8133 22.9572 PRESSAVG: 2471800 -50.3262 -9.40346 9.08301 -9.40348 38.4443 7.32973 9.08296 7.32965 10.1294 GPRESSAVG: 2471800 -49.5645 -6.99088 8.54109 -8.79503 39.3442 5.45966 11.6619 8.66276 8.98056 TIMING: 2471800 CPU: 7720.37, 0.00310106/step Wall: 7720.37, 0.00310106/step, 2.17781 hours remaining, 234.457031 MB of memory in use. ENERGY: 2471800 3938.1363 20362.1782 14518.0816 246.9568 -203397.0607 2683.4396 0.0000 0.0000 51969.6231 -109678.6451 298.6701 -161648.2682 -109314.1515 298.5226 -128.8698 -99.3025 762112.1216 -0.5842 -0.4133 PRESSURE: 2472000 121.997 45.8904 39.4038 45.8904 17.4017 180.371 39.4037 180.37 -69.9238 GPRESSURE: 2472000 152.787 114.371 147.424 93.131 130.031 175.88 -24.3946 248.13 -131.619 PRESSAVG: 2472000 37.6094 20.4538 -10.3794 20.4539 -17.4677 3.34312 -10.3794 3.34309 -9.33463 GPRESSAVG: 2472000 36.3265 21.2693 -8.06829 20.9426 -17.2878 3.97707 -12.8082 2.32781 -8.46477 TIMING: 2472000 CPU: 7720.99, 0.00309724/step Wall: 7720.99, 0.00309724/step, 2.17495 hours remaining, 234.457031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2472000 3979.2767 20369.0112 14450.0316 249.1421 -203571.3270 3057.9999 0.0000 0.0000 51703.6093 -109762.2562 297.1414 -161465.8655 -109394.6209 298.0056 23.1581 50.3999 762438.9746 3.6023 3.5246 PRESSURE: 2472200 -52.582 -135.987 -131.499 -135.986 -103.956 -153.692 -131.5 -153.692 320.567 GPRESSURE: 2472200 54.1445 -158.942 -173.137 -138.591 -91.223 -13.4634 -24.1879 -192.303 284.514 PRESSAVG: 2472200 -43.9152 48.5104 6.43711 48.5103 36.1952 -9.42246 6.43712 -9.42238 -9.28625 GPRESSAVG: 2472200 -42.3325 48.061 3.51698 49.6498 34.9576 -8.96664 6.30905 -9.71567 -9.50888 TIMING: 2472200 CPU: 7721.61, 0.00310477/step Wall: 7721.61, 0.00310477/step, 2.18006 hours remaining, 234.457031 MB of memory in use. ENERGY: 2472200 4030.7307 20367.5634 14430.1480 256.5241 -203616.9636 3006.3371 0.0000 0.0000 51723.2875 -109802.3727 297.2544 -161525.6602 -109450.5641 297.5900 54.6765 82.4786 762584.4552 -5.6688 -5.6279 LDB: ============= START OF LOAD BALANCING ============== 7734.09 LDB: ============== END OF LOAD BALANCING =============== 7734.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7734.09 LDB: ============= START OF LOAD BALANCING ============== 7734.4 LDB: Largest compute 7030 load 0.030741 is 15.8% of average load 0.195149 LDB: Average compute 0.004408 is 2.3% of average load 0.195149 LDB: TIME 7734.4 LOAD: AVG 0.195149 MAX 0.218898 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.742 MB LDB: TIME 7734.4 LOAD: AVG 0.195149 MAX 0.218898 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.742 MB LDB: TIME 7734.4 LOAD: AVG 0.195149 MAX 0.217219 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.742 MB LDB: ============== END OF LOAD BALANCING =============== 7734.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7734.41 PRESSURE: 2472400 180.177 -175.623 283.585 -175.623 -403.322 47.6801 283.585 47.6801 51.1334 GPRESSURE: 2472400 191.539 -142.122 279.31 -182.1 -379.913 -25.2838 242.178 146.249 99.2809 PRESSAVG: 2472400 2.50606 80.7491 -0.242362 80.7491 -6.22142 -2.48532 -0.242353 -2.4853 6.0169 GPRESSAVG: 2472400 2.21887 79.1482 0.209651 80.4727 -6.1837 -3.40118 0.546296 -0.584648 7.05715 TIMING: 2472400 CPU: 7722.24, 0.00315999/step Wall: 7722.24, 0.00315999/step, 2.21867 hours remaining, 234.765625 MB of memory in use. ENERGY: 2472400 4016.1877 20302.3958 14432.7727 234.5565 -203452.3921 2719.7618 0.0000 0.0000 51623.8493 -110122.8683 296.6830 -161746.7176 -109756.0510 296.6156 -57.3374 -29.6977 763993.7086 0.7672 1.0308 PRESSURE: 2472600 -132.135 90.661 -159.76 90.662 -207.731 286.917 -159.761 286.916 -341.218 GPRESSURE: 2472600 -149.106 122.813 -148.47 188.397 -191.152 268.114 -99.333 344.881 -255.522 PRESSAVG: 2472600 26.6606 60.3987 -27.2404 60.3988 -19.3189 -7.93126 -27.2404 -7.93125 -4.60616 GPRESSAVG: 2472600 25.3093 62.8153 -28.8956 59.3407 -19.2373 -8.27847 -26.0069 -7.40257 -3.73698 TIMING: 2472600 CPU: 7722.86, 0.0031062/step Wall: 7722.86, 0.0031062/step, 2.18072 hours remaining, 234.968750 MB of memory in use. ENERGY: 2472600 3959.4183 20438.7975 14358.1102 246.3762 -203589.4767 2752.0593 0.0000 0.0000 51438.6002 -110396.1150 295.6183 -161834.7151 -110045.4068 296.7327 -227.0283 -198.5933 762794.4841 0.9119 0.7783 PRESSURE: 2472800 -100.62 56.5811 173.614 56.5801 175.894 159.051 173.615 159.05 -196.054 GPRESSURE: 2472800 -70.9026 146.827 174.389 63.0465 194.965 107.315 186.643 175.397 -171.062 PRESSAVG: 2472800 -11.5598 9.45472 16.1719 9.4547 12.9811 -22.9788 16.1719 -22.9788 1.80935 GPRESSAVG: 2472800 -9.93305 10.1741 18.2656 9.97412 11.663 -21.9208 13.3221 -24.8326 0.996934 TIMING: 2472800 CPU: 7723.48, 0.0030969/step Wall: 7723.48, 0.0030969/step, 2.17403 hours remaining, 234.968750 MB of memory in use. ENERGY: 2472800 4001.5300 20427.1284 14429.4400 242.9191 -203526.4648 2841.4159 0.0000 0.0000 51437.8357 -110146.1956 295.6139 -161584.0314 -109791.7345 295.9626 -40.2603 -15.6666 763343.5455 1.0769 0.9090 PRESSURE: 2473000 379.805 -67.5513 -85.6355 -67.5516 -80.5388 82.6667 -85.6351 82.6682 -294.488 GPRESSURE: 2473000 269.93 -63.5052 18.6721 19.7121 16.7447 73.5899 -226.514 52.2241 -216.373 PRESSAVG: 2473000 -2.37713 22.3617 -42.7394 22.3618 50.5384 -16.8069 -42.7394 -16.8069 -11.9345 GPRESSAVG: 2473000 -2.80418 20.9526 -43.8557 21.8911 51.5943 -17.3093 -41.6469 -15.9349 -12.6156 TIMING: 2473000 CPU: 7724.1, 0.00309604/step Wall: 7724.1, 0.00309604/step, 2.17325 hours remaining, 234.968750 MB of memory in use. ENERGY: 2473000 3996.9261 20369.7450 14460.3623 248.1883 -203714.8540 2971.6575 0.0000 0.0000 51439.5520 -110228.4227 295.6238 -161667.9748 -109870.5354 296.4876 1.5928 23.4338 762976.3649 12.0756 12.0582 PRESSURE: 2473200 283.788 127.175 -111.618 127.176 229.047 3.46218 -111.618 3.46174 340.373 GPRESSURE: 2473200 261.742 165.807 -112.178 17.9735 301.938 13.3777 -10.1865 -81.27 368.74 PRESSAVG: 2473200 -27.6258 18.2813 -27.778 18.2814 -16.5745 -55.9902 -27.778 -55.9903 5.33509 GPRESSAVG: 2473200 -27.2583 19.1907 -27.5002 17.1265 -16.6136 -54.8661 -27.6596 -59.4531 5.31337 TIMING: 2473200 CPU: 7724.72, 0.00310939/step Wall: 7724.72, 0.00310939/step, 2.18245 hours remaining, 234.968750 MB of memory in use. ENERGY: 2473200 3947.5027 20367.6036 14355.2894 241.0429 -203836.9770 3285.1805 0.0000 0.0000 51462.6565 -110177.7015 295.7566 -161640.3580 -109818.6417 296.8065 284.4023 310.8066 760165.0444 -12.9551 -12.8528 PRESSURE: 2473400 -135.77 84.4034 -109.571 84.4035 -150.209 -32.5149 -109.57 -32.5149 -517.735 GPRESSURE: 2473400 -147.056 -11.5971 -96.8376 113.509 -94.183 -69.0639 -159.016 69.1656 -479.361 PRESSAVG: 2473400 7.38501 -22.9213 -4.56513 -22.9213 13.9013 35.7505 -4.56513 35.7506 -1.93924 GPRESSAVG: 2473400 6.2858 -24.3564 -5.77022 -21.9494 13.7235 34.4401 -4.83267 41.044 -0.894339 TIMING: 2473400 CPU: 7725.35, 0.00313832/step Wall: 7725.35, 0.00313833/step, 2.20258 hours remaining, 234.968750 MB of memory in use. ENERGY: 2473400 4007.1562 20192.7188 14406.5175 253.7567 -203828.7167 2959.2001 0.0000 0.0000 51552.5637 -110456.8037 296.2733 -162009.3674 -110102.3903 296.6949 -267.9047 -240.1999 761941.3933 6.4490 6.3717 PRESSURE: 2473600 125.201 79.511 69.6842 79.5117 363.52 -23.775 69.6839 -23.7747 154.581 GPRESSURE: 2473600 198.38 255.546 82.308 0.342935 289.097 -24.9148 14.2159 44.9653 250.808 PRESSAVG: 2473600 -32.9991 -8.57466 -42.2747 -8.57463 -14.8816 -4.32995 -42.2747 -4.32988 -0.200887 GPRESSAVG: 2473600 -32.6976 -6.63542 -40.0461 -7.21021 -14.8531 -3.08237 -41.8862 -6.18085 -0.650144 TIMING: 2473600 CPU: 7725.98, 0.00314782/step Wall: 7725.98, 0.00314782/step, 2.20907 hours remaining, 234.968750 MB of memory in use. ENERGY: 2473600 3931.1081 20329.5525 14410.8077 214.7022 -203989.0061 3151.9266 0.0000 0.0000 51450.4955 -110500.4135 295.6867 -161950.9090 -110148.0496 296.2077 214.4339 246.0948 761585.2593 -16.0272 -16.0669 PRESSURE: 2473800 63.787 5.59324 33.1239 5.59296 -129.155 62.3611 33.1244 62.3602 47.06 GPRESSURE: 2473800 28.5546 -42.3957 43.458 -12.0457 -56.9513 30.4266 135.763 7.82073 78.701 PRESSAVG: 2473800 26.0522 21.647 -31.0882 21.647 -19.9476 13.5359 -31.0882 13.5359 1.00363 GPRESSAVG: 2473800 25.9973 20.8353 -33.2429 21.2952 -19.4131 12.4796 -29.5827 13.2695 0.400599 TIMING: 2473800 CPU: 7726.6, 0.00310447/step Wall: 7726.6, 0.00310447/step, 2.17847 hours remaining, 234.968750 MB of memory in use. ENERGY: 2473800 3998.0577 20457.1415 14352.6024 251.9722 -203858.7485 3276.6595 0.0000 0.0000 51431.7254 -110090.5898 295.5788 -161522.3153 -109735.0545 296.3424 -6.1026 16.7681 763960.3679 2.3694 2.3283 PRESSURE: 2474000 -518.247 -13.1151 -111.621 -13.115 170.539 32.0151 -111.621 32.0142 -137.875 GPRESSURE: 2474000 -448.503 -76.6813 -64.4427 -88.649 91.31 -7.03399 -121.818 163.791 -54.012 PRESSAVG: 2474000 -32.2922 38.7389 -28.7228 38.739 3.2854 -3.18909 -28.7228 -3.18916 18.4347 GPRESSAVG: 2474000 -32.4603 38.2942 -28.7398 38.3566 3.03198 -3.72044 -30.0916 -3.60206 19.1747 TIMING: 2474000 CPU: 7727.22, 0.00309917/step Wall: 7727.22, 0.00309917/step, 2.17458 hours remaining, 234.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2474000 4044.9503 20384.2946 14492.3260 246.6570 -203616.1474 2721.2408 0.0000 0.0000 51729.9682 -109996.7105 297.2928 -161726.6786 -109636.2178 296.6295 -161.8609 -137.0682 762366.0474 -3.5240 -3.4179 PRESSURE: 2474200 -298.786 -26.6902 -14.4014 -26.6901 4.39166 -58.046 -14.4011 -58.0455 -39.5259 GPRESSURE: 2474200 -185.441 76.8627 -101.929 -5.67102 23.9724 -15.0868 7.46113 -116.046 -103.895 PRESSAVG: 2474200 8.94407 13.622 -51.1959 13.6221 38.3863 86.2121 -51.1959 86.2121 8.75427 GPRESSAVG: 2474200 10.2659 17.0834 -50.2842 12.7519 37.5046 87.1161 -51.5754 88.1504 7.76661 TIMING: 2474200 CPU: 7727.84, 0.00309478/step Wall: 7727.84, 0.00309478/step, 2.17133 hours remaining, 234.968750 MB of memory in use. ENERGY: 2474200 3978.8377 20518.4880 14417.3015 249.9917 -203143.1557 2606.6852 0.0000 0.0000 51640.2885 -109731.5632 296.7774 -161371.8517 -109368.6228 297.3996 -111.3068 -88.4546 762675.1767 18.6949 18.5124 PRESSURE: 2474400 -44.2996 164.017 47.7067 164.016 -162.382 -203.263 47.707 -203.263 -20.1277 GPRESSURE: 2474400 -58.293 34.4903 44.3894 72.6051 -24.9644 -135.558 48.6197 -88.0914 -44.0142 PRESSAVG: 2474400 49.7792 21.7736 12.4414 21.7735 -9.21987 41.4682 12.4414 41.4681 7.9833 GPRESSAVG: 2474400 49.4987 20.9522 13.9496 22.7475 -9.49668 42.6568 12.222 38.0522 8.34541 TIMING: 2474400 CPU: 7728.46, 0.00311672/step Wall: 7728.46, 0.00311672/step, 2.18655 hours remaining, 234.968750 MB of memory in use. ENERGY: 2474400 4060.3968 20481.0211 14448.7953 248.0587 -203359.3764 2742.7430 0.0000 0.0000 51862.1656 -109516.1960 298.0526 -161378.3616 -109147.5776 297.7347 -75.6030 -42.4239 761799.9023 16.1809 16.1158 PRESSURE: 2474600 -7.15445 55.4282 83.8303 55.4273 -179.251 60.9905 83.8306 60.9899 81.2687 GPRESSURE: 2474600 1.18972 148.458 141.765 23.2031 -115.602 0.142414 244.551 143.859 99.9229 PRESSAVG: 2474600 22.2794 12.6163 9.79313 12.6163 -2.97179 -5.19618 9.79318 -5.19622 4.48658 GPRESSAVG: 2474600 21.7408 12.1188 7.83136 12.0649 -1.67209 -5.36759 8.7482 -3.9896 3.88761 TIMING: 2474600 CPU: 7729.09, 0.00311742/step Wall: 7729.09, 0.00311742/step, 2.18687 hours remaining, 234.968750 MB of memory in use. ENERGY: 2474600 3975.9561 20540.4228 14395.6667 249.1758 -203123.1040 2656.1876 0.0000 0.0000 51868.3035 -109437.3914 298.0879 -161305.6949 -109079.7040 298.7906 -35.0456 -4.8297 761925.0514 7.9314 7.9854 PRESSURE: 2474800 -396.713 63.6852 282.5 63.6841 -207.82 -147.223 282.5 -147.223 -41.1506 GPRESSURE: 2474800 -302.562 64.0527 321.284 10.0922 -200.65 -203.973 128.006 -70.2086 -71.6242 PRESSAVG: 2474800 -13.8988 25.7835 43.1788 25.7835 -53.6836 -14.8868 43.1788 -14.8868 0.175594 GPRESSAVG: 2474800 -14.8744 26.1308 43.1922 25.0575 -53.7858 -16.7538 43.736 -13.9742 1.48563 TIMING: 2474800 CPU: 7729.71, 0.00312646/step Wall: 7729.71, 0.00312646/step, 2.19304 hours remaining, 234.968750 MB of memory in use. ENERGY: 2474800 3981.6175 20302.5987 14450.5379 243.9774 -202921.6109 2651.7884 0.0000 0.0000 52055.1168 -109235.9741 299.1615 -161291.0909 -108866.1240 298.9019 -215.2280 -191.6119 760922.4827 -22.4689 -22.3916 PRESSURE: 2475000 -83.9342 98.1849 63.5813 98.1845 24.3395 92.526 63.5815 92.5252 -225.102 GPRESSURE: 2475000 -88.272 289.669 108.158 111.478 74.2129 152.967 98.8835 221.164 -207.438 PRESSAVG: 2475000 20.3838 63.0982 49.2132 63.0981 34.2656 27.274 49.2132 27.2741 12.9141 GPRESSAVG: 2475000 20.9127 62.3076 49.0726 63.7028 33.7583 29.4814 50.7223 23.8956 12.8037 TIMING: 2475000 CPU: 7730.33, 0.00309013/step Wall: 7730.33, 0.00309013/step, 2.16738 hours remaining, 234.968750 MB of memory in use. ENERGY: 2475000 3979.1849 20427.3485 14518.4984 256.8126 -202934.7307 2552.1743 0.0000 0.0000 52091.9818 -109108.7303 299.3733 -161200.7121 -108752.3406 299.3536 -94.8990 -73.8324 763306.7524 22.5212 22.4916 PRESSURE: 2475200 156.47 -280.401 79.6062 -280.4 -232.707 348.507 79.6055 348.506 -245.491 GPRESSURE: 2475200 86.5294 -202.371 -52.8043 -176.022 -121.677 347.505 91.2308 174.314 -210.753 PRESSAVG: 2475200 -13.3059 7.32284 14.2886 7.32296 35.0333 74.8065 14.2885 74.8066 -5.1287 GPRESSAVG: 2475200 -13.108 7.11806 12.9431 9.09387 36.0439 74.6608 14.9288 77.8181 -6.90157 TIMING: 2475200 CPU: 7730.95, 0.00309109/step Wall: 7730.95, 0.00309109/step, 2.16788 hours remaining, 234.968750 MB of memory in use. ENERGY: 2475200 4001.9151 20573.1239 14440.2362 248.2881 -203077.9586 2651.9977 0.0000 0.0000 51986.4152 -109175.9823 298.7666 -161162.3975 -108820.0430 298.9428 -107.2428 -81.9667 762291.0613 5.5329 5.3448 PRESSURE: 2475400 29.8414 -237.507 -177.682 -237.507 -277.451 133.62 -177.682 133.621 -64.8681 GPRESSURE: 2475400 16.2386 -208.788 -149.543 -191.345 -213.907 208.725 -184.092 88.3314 -54.5954 PRESSAVG: 2475400 4.29553 31.4144 -34.2938 31.4144 17.6553 11.4354 -34.2937 11.4353 18.5457 GPRESSAVG: 2475400 4.2671 32.4621 -32.1292 29.3464 16.504 11.667 -35.9583 9.11607 19.5608 TIMING: 2475400 CPU: 7731.57, 0.00309022/step Wall: 7731.57, 0.00309022/step, 2.1671 hours remaining, 234.968750 MB of memory in use. ENERGY: 2475400 3920.9129 20423.5295 14456.6063 234.8289 -203089.2346 2766.6904 0.0000 0.0000 52004.2569 -109282.4096 298.8692 -161286.6665 -108927.9008 299.3184 -104.1592 -84.0880 762837.2822 13.4988 13.4439 PRESSURE: 2475600 40.8272 -98.9858 -18.1723 -98.9859 -373.21 2.72082 -18.1721 2.71956 -240.926 GPRESSURE: 2475600 40.3007 -65.3777 -21.4547 -81.188 -164.069 11.2303 94.8256 60.3065 -353.01 PRESSAVG: 2475600 55.4662 22.4315 -52.468 22.4315 36.7499 -12.2758 -52.468 -12.2758 7.07001 GPRESSAVG: 2475600 54.8886 21.7382 -53.2042 24.7611 37.5264 -11.2096 -50.3274 -10.3109 6.64418 TIMING: 2475600 CPU: 7732.19, 0.00310013/step Wall: 7732.19, 0.00310013/step, 2.17388 hours remaining, 234.968750 MB of memory in use. ENERGY: 2475600 3999.5516 20331.0481 14538.9355 257.8868 -203125.0708 2728.3361 0.0000 0.0000 51786.0840 -109483.2287 297.6153 -161269.3128 -109125.8341 298.5218 -191.1030 -158.9261 760661.3975 33.0953 33.0197 PRESSURE: 2475800 -142.194 127.087 -52.3216 127.088 -76.0031 10.8118 -52.3221 10.8116 -22.3321 GPRESSURE: 2475800 -116.57 97.2169 31.7782 52.8101 -33.2509 -75.2865 -67.0035 69.5549 -3.01914 PRESSAVG: 2475800 -39.7964 -10.1523 -8.32117 -10.1524 3.45286 16.1576 -8.3211 16.1575 -13.3089 GPRESSAVG: 2475800 -39.7742 -12.6351 -7.71593 -11.8349 2.8784 15.6615 -9.57849 16.6117 -12.7642 TIMING: 2475800 CPU: 7732.81, 0.00310931/step Wall: 7732.81, 0.00310931/step, 2.18014 hours remaining, 234.968750 MB of memory in use. ENERGY: 2475800 3973.6215 20379.5684 14555.6239 248.5623 -203093.7621 2727.4748 0.0000 0.0000 51966.5067 -109242.4044 298.6522 -161208.9112 -108882.0529 298.5336 -80.1764 -50.9467 763839.7040 -16.5508 -16.5533 PRESSURE: 2476000 -434.149 69.1741 151.632 69.1749 192.546 9.24304 151.632 9.2418 88.4248 GPRESSURE: 2476000 -374.128 -2.22657 154.553 98.1433 243.048 51.6173 84.1655 -20.2244 74.4767 PRESSAVG: 2476000 17.7198 -33.2195 39.6903 -33.2194 1.80836 -12.9698 39.6902 -12.9698 12.6211 GPRESSAVG: 2476000 17.6736 -32.31 40.5646 -33.361 3.0814 -14.1222 39.1399 -12.8173 11.2431 TIMING: 2476000 CPU: 7733.43, 0.00310952/step Wall: 7733.43, 0.00310952/step, 2.18012 hours remaining, 234.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2476000 4007.5424 20432.5465 14474.8475 230.8951 -203402.4024 3079.9074 0.0000 0.0000 51778.5175 -109398.1460 297.5719 -161176.6635 -109043.4798 299.1245 -51.0594 -18.8677 761960.3503 10.7164 10.6661 PRESSURE: 2476200 -193.126 -51.0503 -0.14901 -51.0502 -283.112 -33.9591 -0.149192 -33.9593 261.69 GPRESSURE: 2476200 -150.045 -3.29407 34.1358 -113.952 -249.836 -62.3847 -21.3851 -68.2879 263.907 PRESSAVG: 2476200 -11.8398 -48.8091 51.6026 -48.8091 -9.58942 0.0837296 51.6026 0.0837222 -13.6736 GPRESSAVG: 2476200 -11.1184 -48.5168 50.2309 -49.4402 -10.551 1.42627 52.4332 -0.978565 -12.8993 TIMING: 2476200 CPU: 7734.06, 0.00314755/step Wall: 7734.06, 0.00314755/step, 2.2066 hours remaining, 234.968750 MB of memory in use. ENERGY: 2476200 4059.7362 20340.7415 14421.6206 245.2936 -202943.9315 2561.0456 0.0000 0.0000 51988.1985 -109327.2955 298.7769 -161315.4940 -108964.2709 298.3323 -71.5157 -45.3249 762836.4494 -11.7009 -11.5229 LDB: ============= START OF LOAD BALANCING ============== 7746.54 LDB: ============== END OF LOAD BALANCING =============== 7746.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7746.55 LDB: ============= START OF LOAD BALANCING ============== 7746.86 LDB: Largest compute 7033 load 0.029402 is 15.1% of average load 0.195082 LDB: Average compute 0.004405 is 2.3% of average load 0.195082 LDB: TIME 7746.86 LOAD: AVG 0.195082 MAX 0.218292 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.281 MB LDB: TIME 7746.86 LOAD: AVG 0.195082 MAX 0.218292 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.352 MB LDB: TIME 7746.86 LOAD: AVG 0.195082 MAX 0.217535 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.352 MB LDB: ============== END OF LOAD BALANCING =============== 7746.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7746.87 PRESSURE: 2476400 161.181 -133.722 -109.245 -133.722 -71.6897 83.0675 -109.244 83.0687 199.409 GPRESSURE: 2476400 128.118 -168.777 -93.4895 -6.39421 -41.1807 100.638 -87.4638 -6.36872 303.916 PRESSAVG: 2476400 15.5531 -16.7694 2.55113 -16.7694 43.7981 -1.65024 2.55115 -1.65026 10.3924 GPRESSAVG: 2476400 15.2317 -15.9901 2.92935 -14.1006 44.25 -3.42444 0.616904 0.538156 10.0637 TIMING: 2476400 CPU: 7734.7, 0.00321584/step Wall: 7734.7, 0.00321584/step, 2.25431 hours remaining, 235.218750 MB of memory in use. ENERGY: 2476400 3907.2078 20499.9684 14411.9716 232.7876 -203023.8638 2924.0044 0.0000 0.0000 51818.6476 -109229.2764 297.8025 -161047.9240 -108856.5344 298.6665 96.3002 130.2842 764723.4450 23.2479 23.1818 PRESSURE: 2476600 -31.5209 0.281143 16.9765 0.280735 139.209 -241.83 16.9762 -241.83 68.8384 GPRESSURE: 2476600 40.9845 -21.4926 -4.05667 27.2106 194.642 -186.085 -16.612 -275.581 19.6737 PRESSAVG: 2476600 -13.8867 -43.451 49.4825 -43.4509 -10.7428 -46.0534 49.4824 -46.0533 -8.98603 GPRESSAVG: 2476600 -13.353 -44.1194 48.8482 -44.3337 -10.8576 -46.1634 52.5652 -48.6865 -9.45298 TIMING: 2476600 CPU: 7735.33, 0.0031186/step Wall: 7735.33, 0.0031186/step, 2.18596 hours remaining, 235.218750 MB of memory in use. ENERGY: 2476600 3980.5411 20457.1504 14449.2930 253.0642 -203258.5822 3049.1016 0.0000 0.0000 51965.0589 -109104.3730 298.6439 -161069.4319 -108738.9532 298.6166 58.8423 85.1001 765166.9644 -11.2052 -11.2212 PRESSURE: 2476800 -68.8901 98.343 86.5711 98.3431 -145.511 -109.713 86.5713 -109.712 147.031 GPRESSURE: 2476800 -75.1444 37.131 93.3658 200.274 -1.95351 -60.5421 19.5556 -82.4899 74.3837 PRESSAVG: 2476800 -16.5991 -20.552 57.4785 -20.552 11.8009 -67.5492 57.4784 -67.5493 13.5242 GPRESSAVG: 2476800 -17.2235 -20.0627 57.7612 -21.3798 12.2009 -67.9554 55.8133 -67.6534 13.2539 TIMING: 2476800 CPU: 7735.95, 0.00310626/step Wall: 7735.95, 0.00310626/step, 2.17714 hours remaining, 235.218750 MB of memory in use. ENERGY: 2476800 3961.0772 20449.7030 14469.2529 228.1495 -203028.9635 2674.2469 0.0000 0.0000 52299.9331 -108946.6009 300.5684 -161246.5340 -108580.1805 299.3995 -22.4566 -0.9047 765582.7878 2.9087 2.7437 PRESSURE: 2477000 22.0249 -150.295 -111.653 -150.295 209.167 -193.692 -111.653 -193.692 83.374 GPRESSURE: 2477000 116.488 -73.8131 -20.8282 -90.9925 158.112 -146.364 -21.8223 -223.952 120.212 PRESSAVG: 2477000 -38.4342 10.0008 46.7855 10.0009 28.9456 -39.0121 46.7854 -39.0122 -16.1109 GPRESSAVG: 2477000 -38.6477 9.94052 47.8615 11.2869 27.4134 -37.7966 45.3447 -39.249 -15.0594 TIMING: 2477000 CPU: 7736.57, 0.00311358/step Wall: 7736.57, 0.00311358/step, 2.1821 hours remaining, 235.218750 MB of memory in use. ENERGY: 2477000 3916.4472 20471.0544 14420.0546 246.4213 -202842.3189 2768.9854 0.0000 0.0000 52112.3794 -108906.9767 299.4906 -161019.3561 -108551.2826 299.2678 104.8552 131.6038 763247.5238 -8.5332 -8.7646 PRESSURE: 2477200 -34.5774 170.758 -38.7063 170.758 -19.1056 -117.74 -38.7065 -117.739 505.631 GPRESSURE: 2477200 37.6862 89.6088 -61.4872 146.006 -10.8691 -111.135 66.3665 -67.5302 523.007 PRESSAVG: 2477200 -44.407 -3.83376 15.9161 -3.83371 28.2595 -24.9924 15.9161 -24.9924 -2.07336 GPRESSAVG: 2477200 -44.3764 -1.99915 15.6393 -5.62051 28.5964 -24.7475 17.5978 -25.2489 -2.67074 TIMING: 2477200 CPU: 7737.2, 0.00311949/step Wall: 7737.2, 0.00311949/step, 2.18607 hours remaining, 235.218750 MB of memory in use. ENERGY: 2477200 3959.9573 20495.8004 14385.2168 249.4332 -203139.7506 2830.2555 0.0000 0.0000 52248.3189 -108970.7685 300.2718 -161219.0874 -108604.6173 299.3201 150.6492 183.2748 765863.1441 -6.0736 -6.1502 PRESSURE: 2477400 -209.579 -39.6531 -70.8709 -39.6528 204.132 -98.2408 -70.8706 -98.2398 -8.06946 GPRESSURE: 2477400 -190.484 -63.8943 -9.6421 53.6843 240.997 -157.66 -191.985 -108.973 26.6267 PRESSAVG: 2477400 -7.92776 21.483 -50.292 21.4829 20.0282 -10.6147 -50.292 -10.6148 6.87446 GPRESSAVG: 2477400 -7.28221 21.6838 -50.2922 21.2528 20.0615 -9.90795 -50.9403 -10.0578 6.17452 TIMING: 2477400 CPU: 7737.82, 0.00309932/step Wall: 7737.82, 0.00309932/step, 2.17176 hours remaining, 235.218750 MB of memory in use. ENERGY: 2477400 3976.8202 20466.3589 14437.1488 240.5591 -203398.4342 2823.8430 0.0000 0.0000 52438.6736 -109015.0306 301.3658 -161453.7042 -108652.1942 299.4219 -4.5057 25.7133 763725.9008 6.3250 6.3179 PRESSURE: 2477600 -130.622 -34.7627 14.3738 -34.7626 211.655 30.6734 14.3744 30.6735 -485.533 GPRESSURE: 2477600 -98.982 -21.3772 9.83418 83.0842 216.222 101.029 -6.53352 -43.1212 -415.961 PRESSAVG: 2477600 -6.55122 63.7481 -19.4464 63.7481 40.7887 -73.2839 -19.4464 -73.2839 -0.0474248 GPRESSAVG: 2477600 -8.25486 62.2568 -19.9365 64.1071 40.7785 -74.7589 -19.7721 -72.7155 1.22645 TIMING: 2477600 CPU: 7738.43, 0.00308513/step Wall: 7738.43, 0.00308513/step, 2.16165 hours remaining, 235.218750 MB of memory in use. ENERGY: 2477600 4031.0194 20564.3459 14465.4333 233.9638 -203325.1535 2759.5771 0.0000 0.0000 52232.7701 -109038.0439 300.1824 -161270.8140 -108669.5753 299.9913 -134.8334 -99.5735 763778.7097 11.3967 11.2500 PRESSURE: 2477800 25.643 -37.8764 356.675 -37.8767 402.623 -161.442 356.674 -161.441 -87.8027 GPRESSURE: 2477800 62.5539 68.1141 318.924 -79.7403 426.053 -246.384 245.279 -106.503 -72.5876 PRESSAVG: 2477800 -22.1408 -8.05356 7.52797 -8.05353 27.577 -26.1046 7.528 -26.1046 5.1307 GPRESSAVG: 2477800 -21.886 -6.98561 8.02018 -8.12558 27.5741 -26.7295 5.74961 -25.745 5.15326 TIMING: 2477800 CPU: 7739.06, 0.00312119/step Wall: 7739.06, 0.00312119/step, 2.18674 hours remaining, 235.218750 MB of memory in use. ENERGY: 2477800 3955.2796 20489.9480 14448.6548 243.1702 -203499.7982 2988.4995 0.0000 0.0000 52315.7311 -109058.5150 300.6592 -161374.2461 -108688.9729 299.7312 113.4876 138.6732 762879.0573 3.5223 3.6138 PRESSURE: 2478000 148.508 -35.8215 -71.8698 -35.8215 20.045 -23.0796 -71.8704 -23.0803 214.948 GPRESSURE: 2478000 181.21 69.7996 -122.168 -49.3416 16.381 -55.2174 27.0593 50.8802 257.242 PRESSAVG: 2478000 -12.7544 26.7723 -41.9918 26.7723 24.6427 -64.2295 -41.9918 -64.2293 3.45146 GPRESSAVG: 2478000 -12.2584 26.8674 -42.5901 25.2531 25.0079 -63.8685 -40.127 -64.4457 2.29431 TIMING: 2478000 CPU: 7739.68, 0.00312435/step Wall: 7739.68, 0.00312435/step, 2.18878 hours remaining, 235.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2478000 3980.3313 20534.4790 14475.2274 252.2229 -203379.8113 2925.9037 0.0000 0.0000 52256.5827 -108955.0643 300.3193 -161211.6470 -108599.8097 299.4626 127.8336 151.6108 763680.2932 5.1133 5.0146 PRESSURE: 2478200 81.4342 -109.076 140.134 -109.077 328.225 56.4942 140.135 56.4938 480.162 GPRESSURE: 2478200 63.0098 -140.851 87.1454 -43.6167 366.669 27.8945 118.214 2.64362 523.653 PRESSAVG: 2478200 -66.4601 62.2351 17.8595 62.2351 106.916 -13.4492 17.8595 -13.4493 -2.06655 GPRESSAVG: 2478200 -65.3385 61.3091 16.1692 62.4454 106.231 -13.4958 19.2978 -15.857 -2.21289 TIMING: 2478200 CPU: 7740.31, 0.00313248/step Wall: 7740.31, 0.00313248/step, 2.1943 hours remaining, 235.218750 MB of memory in use. ENERGY: 2478200 4039.5460 20559.2171 14442.6128 270.1437 -202972.3183 2924.2218 0.0000 0.0000 51831.0325 -108905.5443 297.8737 -160736.5768 -108545.8728 299.2457 296.6070 317.7774 764401.5087 12.7964 12.8932 PRESSURE: 2478400 261.925 235.146 -87.4682 235.147 66.8343 -91.1455 -87.4676 -91.146 95.8746 GPRESSURE: 2478400 281.961 204.122 -161.031 185.7 -8.71744 23.4242 -116.213 -66.0498 228.371 PRESSAVG: 2478400 -34.4703 69.9858 49.1415 69.9858 -2.5614 -28.7321 49.1415 -28.7321 -3.45891 GPRESSAVG: 2478400 -35.83 70.7793 51.7415 70.1682 -2.05264 -29.3648 47.5985 -26.9502 -2.80831 TIMING: 2478400 CPU: 7740.93, 0.00309966/step Wall: 7740.93, 0.00309966/step, 2.17114 hours remaining, 235.218750 MB of memory in use. ENERGY: 2478400 3966.8012 20449.0075 14422.1084 237.2411 -202963.2173 3112.2050 0.0000 0.0000 51863.4784 -108912.3756 298.0601 -160775.8540 -108550.4807 299.6133 141.5446 167.2051 764561.5983 -13.4969 -13.5636 PRESSURE: 2478600 466.423 -132.789 -22.4794 -132.788 108.379 -209.543 -22.479 -209.543 205.706 GPRESSURE: 2478600 532.299 -126.736 79.7659 -119.353 34.1828 -232.914 -102.818 -229.762 303.6 PRESSAVG: 2478600 30.6796 47.0612 -27.5174 47.0612 12.8856 -0.41112 -27.5174 -0.411114 -30.0853 GPRESSAVG: 2478600 31.5841 47.3155 -28.6803 47.1529 12.167 0.297724 -26.1054 0.308471 -30.0523 TIMING: 2478600 CPU: 7741.55, 0.00310054/step Wall: 7741.55, 0.00310054/step, 2.17158 hours remaining, 235.218750 MB of memory in use. ENERGY: 2478600 3983.9820 20552.0602 14406.3275 226.6740 -202620.1427 2693.0805 0.0000 0.0000 52052.5477 -108705.4708 299.1467 -160758.0185 -108347.8523 299.8456 260.1695 290.0272 763216.9318 4.4933 4.5663 PRESSURE: 2478800 -20.2386 2.75626 5.60619 2.75663 -87.8384 69.1602 5.60547 69.1597 -350.578 GPRESSURE: 2478800 -61.9425 6.62218 30.1291 8.80579 24.0214 64.7647 -62.8796 105.394 -336.905 PRESSAVG: 2478800 42.9376 28.973 26.9745 28.973 -27.9581 5.18396 26.9745 5.18391 -21.5043 GPRESSAVG: 2478800 43.3083 28.6057 27.2654 30.5907 -27.4422 5.57369 24.3627 2.96174 -22.4122 TIMING: 2478800 CPU: 7742.17, 0.00311453/step Wall: 7742.17, 0.00311453/step, 2.18121 hours remaining, 235.218750 MB of memory in use. ENERGY: 2478800 4028.2101 20515.0173 14497.6587 243.3380 -202773.7308 2690.2145 0.0000 0.0000 52061.1675 -108738.1247 299.1962 -160799.2922 -108375.9526 300.0900 -152.8850 -124.9420 764527.4981 -2.1749 -2.1820 PRESSURE: 2479000 -219.193 215.961 -26.0014 215.962 160.265 65.2262 -26.0016 65.2269 -253.916 GPRESSURE: 2479000 -131.576 194.537 -90.2801 51.3425 122.369 9.28488 92.3197 249.965 -222.64 PRESSAVG: 2479000 -38.9262 13.4929 -44.8771 13.493 20.471 23.1633 -44.8771 23.1632 -11.3896 GPRESSAVG: 2479000 -39.7919 13.3928 -44.6163 10.0194 20.3575 21.6357 -41.888 26.2549 -10.0109 TIMING: 2479000 CPU: 7742.79, 0.00310545/step Wall: 7742.79, 0.00310545/step, 2.17468 hours remaining, 235.218750 MB of memory in use. ENERGY: 2479000 4008.1966 20609.4923 14496.1376 250.8205 -203110.3277 2764.5723 0.0000 0.0000 52240.5733 -108740.5350 300.2273 -160981.1084 -108374.0207 300.0918 -104.2812 -77.2825 762797.1081 -9.9483 -9.8151 PRESSURE: 2479200 -131.034 -179.467 -80.5921 -179.468 -337.147 152.24 -80.5927 152.241 0.877853 GPRESSURE: 2479200 -137.023 -102.27 -138.874 -109.821 -235.612 88.625 -40.3309 186.319 -17.5453 PRESSAVG: 2479200 1.02379 -18.3177 -10.1 -18.3177 -2.20159 16.3957 -10.1 16.3957 -27.6725 GPRESSAVG: 2479200 2.44941 -17.2257 -10.7227 -17.719 -2.63981 17.4729 -12.0667 16.1102 -28.1785 TIMING: 2479200 CPU: 7743.41, 0.00309817/step Wall: 7743.41, 0.00309817/step, 2.16941 hours remaining, 235.218750 MB of memory in use. ENERGY: 2479200 3980.5699 20589.7273 14392.0753 240.4484 -202909.7579 2544.3242 0.0000 0.0000 52358.9168 -108803.6961 300.9074 -161162.6129 -108439.6795 299.8242 -155.7678 -130.0600 763912.8125 -9.6168 -9.4563 PRESSURE: 2479400 -226.209 221.266 216.015 221.266 182.065 -68.0272 216.015 -68.0277 236.113 GPRESSURE: 2479400 -112.122 127.783 174.99 128.213 134.718 -47.7353 57.3627 -58.8275 257.405 PRESSAVG: 2479400 5.30468 24.698 17.4247 24.698 11.7626 48.2261 17.4248 48.2261 -21.7028 GPRESSAVG: 2479400 5.47465 25.4514 18.2848 24.4562 11.1961 47.7366 18.5036 47.1676 -21.4479 TIMING: 2479400 CPU: 7744.03, 0.00311215/step Wall: 7744.03, 0.00311215/step, 2.17902 hours remaining, 235.218750 MB of memory in use. ENERGY: 2479400 3985.0282 20446.1459 14480.8414 257.1725 -203126.2485 2720.0598 0.0000 0.0000 52117.6683 -109119.3323 299.5210 -161237.0006 -108746.4953 299.5351 63.9897 93.3334 760966.3172 -1.5452 -1.5924 PRESSURE: 2479600 279.469 177.981 -145.536 177.98 98.1739 -182.829 -145.536 -182.83 376.539 GPRESSURE: 2479600 369.198 -11.8793 -122.66 176.178 95.1798 -211.311 -83.5365 -102.047 371.843 PRESSAVG: 2479600 42.9083 36.9454 37.5092 36.9454 -15.1236 -30.504 37.5091 -30.504 14.9773 GPRESSAVG: 2479600 42.5822 34.6643 36.6978 37.5126 -14.7977 -30.243 38.0488 -29.8358 14.9229 TIMING: 2479600 CPU: 7744.65, 0.00309832/step Wall: 7744.65, 0.00309832/step, 2.16917 hours remaining, 235.218750 MB of memory in use. ENERGY: 2479600 4002.4627 20535.0331 14414.6887 256.6134 -203101.0475 2785.5843 0.0000 0.0000 52108.9306 -108997.7347 299.4707 -161106.6653 -108640.9372 299.3970 251.3940 278.7404 762500.6459 14.2540 14.2358 PRESSURE: 2479800 -159.109 170.113 -333.729 170.113 -405.124 -80.4114 -333.729 -80.4136 318.181 GPRESSURE: 2479800 -153.695 170.334 -366.475 -10.2294 -322.428 -68.7999 -188.865 -6.64966 326.099 PRESSAVG: 2479800 -19.7174 80.1423 -17.4548 80.1423 -10.611 3.24338 -17.4549 3.24336 3.65863 GPRESSAVG: 2479800 -19.8047 80.9406 -15.9801 80.0859 -9.70083 4.5687 -17.1959 2.02396 3.06677 TIMING: 2479800 CPU: 7745.27, 0.00310368/step Wall: 7745.27, 0.00310368/step, 2.17275 hours remaining, 235.218750 MB of memory in use. ENERGY: 2479800 3951.7542 20570.8376 14434.2065 247.8061 -203033.1855 2648.4670 0.0000 0.0000 52193.4735 -108986.6405 299.9566 -161180.1140 -108625.1604 299.0693 -82.0175 -50.0082 763447.5898 -8.8899 -8.8129 PRESSURE: 2480000 232.422 307.944 -27.9021 307.943 140.235 212.331 -27.902 212.331 523.538 GPRESSURE: 2480000 259.253 258.137 -55.5257 249.171 231.287 206.069 -48.9365 226.618 469.383 PRESSAVG: 2480000 38.6317 79.6843 -53.445 79.6843 17.2653 31.6914 -53.445 31.6914 -2.96516 GPRESSAVG: 2480000 38.4882 79.7501 -54.3778 80.6799 18.0291 30.7949 -54.6737 31.4418 -3.36853 TIMING: 2480000 CPU: 7745.89, 0.00309424/step Wall: 7745.89, 0.00309424/step, 2.16597 hours remaining, 235.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2480000 3904.8090 20446.1155 14504.0605 247.3936 -203196.5358 2920.9635 0.0000 0.0000 52144.3512 -109028.8425 299.6743 -161173.1937 -108667.4990 299.3602 298.7317 319.9742 763145.7861 17.6440 17.7163 PRESSURE: 2480200 -58.3036 268.063 -173.758 268.063 -502.369 -179.055 -173.757 -179.055 -184.582 GPRESSURE: 2480200 -125.828 265.491 -99.199 306.473 -316.15 -146.734 -179.216 -173.134 -205.051 PRESSAVG: 2480200 54.8097 15.576 54.4983 15.576 -27.4866 57.5522 54.4983 57.5521 33.2181 GPRESSAVG: 2480200 54.4515 15.984 53.5643 14.6654 -27.6456 57.6336 56.2821 56.4524 33.5831 TIMING: 2480200 CPU: 7746.52, 0.00311104/step Wall: 7746.52, 0.00311104/step, 2.17755 hours remaining, 235.218750 MB of memory in use. ENERGY: 2480200 4025.2715 20490.2822 14506.2394 247.2783 -203501.1073 2890.5469 0.0000 0.0000 52308.6536 -109032.8355 300.6186 -161341.4891 -108671.4398 299.8006 -248.4182 -215.6767 762161.3864 20.1804 20.1297 LDB: ============= START OF LOAD BALANCING ============== 7758.99 LDB: ============== END OF LOAD BALANCING =============== 7758.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7759 LDB: ============= START OF LOAD BALANCING ============== 7759.31 LDB: Largest compute 7033 load 0.029595 is 15.2% of average load 0.195012 LDB: Average compute 0.004401 is 2.3% of average load 0.195012 LDB: TIME 7759.31 LOAD: AVG 0.195012 MAX 0.218399 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.312 MB LDB: TIME 7759.31 LOAD: AVG 0.195012 MAX 0.218399 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.312 MB LDB: TIME 7759.31 LOAD: AVG 0.195012 MAX 0.21758 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.312 MB LDB: ============== END OF LOAD BALANCING =============== 7759.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7759.32 PRESSURE: 2480400 286.1 -127.147 19.2295 -127.147 -231.944 61.6592 19.2303 61.6582 1.41832 GPRESSURE: 2480400 288.754 -222.491 74.9967 -139.93 -135.219 -13.2104 67.7987 126.955 10.1804 PRESSAVG: 2480400 29.0236 -0.360068 33.1786 -0.36002 -28.6122 57.8668 33.1786 57.8667 17.2866 GPRESSAVG: 2480400 27.5073 0.130919 32.5345 -0.518822 -27.8538 54.9213 32.0357 59.9575 18.6561 TIMING: 2480400 CPU: 7747.15, 0.00318975/step Wall: 7747.15, 0.00318975/step, 2.23247 hours remaining, 234.511719 MB of memory in use. ENERGY: 2480400 4024.8735 20393.1779 14440.8345 242.7503 -203480.0968 3003.6613 0.0000 0.0000 52178.9701 -109195.8292 299.8733 -161374.7993 -108838.7398 299.4504 18.5249 54.5716 763112.6912 5.8993 6.1032 PRESSURE: 2480600 -152.009 -34.2466 -185.585 -34.2472 108.949 72.742 -185.584 72.7419 -480.514 GPRESSURE: 2480600 -109.079 88.3874 -215.278 -47.6127 105.526 101.852 -248.437 23.3849 -422.692 PRESSAVG: 2480600 30.2008 36.1812 43.6317 36.1813 0.506917 116.395 43.6317 116.395 -10.9077 GPRESSAVG: 2480600 30.4436 36.5019 43.3043 35.644 0.572913 118.085 42.6537 116.943 -10.7621 TIMING: 2480600 CPU: 7747.77, 0.003101/step Wall: 7747.77, 0.003101/step, 2.17018 hours remaining, 234.511719 MB of memory in use. ENERGY: 2480600 3968.4295 20727.0351 14489.7067 226.7066 -203250.7049 2844.3149 0.0000 0.0000 51807.2293 -109187.2828 297.7369 -160994.5121 -108841.1684 299.4308 -174.5247 -142.0816 762868.9915 6.6000 6.7515 PRESSURE: 2480800 -332.736 -120.918 -93.9804 -120.918 -282.831 224.343 -93.9808 224.344 -237.755 GPRESSURE: 2480800 -234.182 -58.0706 -91.8819 -84.3554 -307.521 201.287 13.5035 347.703 -233.427 PRESSAVG: 2480800 -42.4658 0.271997 13.7996 0.272004 42.3447 46.9941 13.7996 46.9941 -11.3776 GPRESSAVG: 2480800 -41.056 2.29208 15.7867 0.0313583 40.0402 47.9638 14.3064 46.0132 -10.8362 TIMING: 2480800 CPU: 7748.39, 0.00310636/step Wall: 7748.39, 0.00310636/step, 2.17376 hours remaining, 234.511719 MB of memory in use. ENERGY: 2480800 4024.4627 20372.8166 14472.1318 237.5125 -203276.6522 2699.0980 0.0000 0.0000 52276.0397 -109194.5908 300.4311 -161470.6305 -108831.0692 299.4208 -284.4408 -258.3765 761875.4693 -3.8329 -3.9506 PRESSURE: 2481000 154.777 3.95687 138.483 3.95717 -218.363 -14.1427 138.483 -14.143 -229.208 GPRESSURE: 2481000 176.141 13.1148 67.6812 24.8345 -174.753 -79.3008 90.8859 -34.9133 -234.252 PRESSAVG: 2481000 1.05922 21.5042 21.3994 21.5042 26.6354 37.6744 21.3995 37.6744 28.6264 GPRESSAVG: 2481000 1.35786 18.4652 21.4214 21.9102 27.7118 37.5887 20.9487 36.3845 27.5183 TIMING: 2481000 CPU: 7749.02, 0.00310881/step Wall: 7749.02, 0.00310881/step, 2.1753 hours remaining, 234.511719 MB of memory in use. ENERGY: 2481000 4005.7123 20512.1665 14449.0694 242.5832 -203000.7580 2515.1945 0.0000 0.0000 52015.6972 -109260.3350 298.9349 -161276.0322 -108892.0501 298.9596 -97.5981 -77.6211 763244.6562 18.7737 18.8626 PRESSURE: 2481200 -211.779 -63.3958 -23.7336 -63.3957 -194.175 9.19527 -23.7331 9.19539 -158.054 GPRESSURE: 2481200 -161.732 -83.0288 62.3565 -37.213 -200.654 -41.2682 5.09502 -34.6835 -127.038 PRESSAVG: 2481200 63.5311 29.5403 27.4583 29.5403 -40.1724 14.9613 27.4582 14.9613 -7.55601 GPRESSAVG: 2481200 63.5907 29.482 28.7037 30.0523 -41.3942 13.2422 29.4942 14.8627 -7.52736 TIMING: 2481200 CPU: 7749.63, 0.0030881/step Wall: 7749.63, 0.0030881/step, 2.16064 hours remaining, 234.511719 MB of memory in use. ENERGY: 2481200 3923.0360 20415.9148 14468.3542 245.6880 -203128.9976 2774.9589 0.0000 0.0000 52083.0929 -109217.9528 299.3223 -161301.0457 -108855.8873 299.0227 -188.0026 -163.1411 763404.6184 5.2675 4.8897 PRESSURE: 2481400 37.9442 -101.029 -180.39 -101.029 237.364 -68.1232 -180.391 -68.1226 -335.145 GPRESSURE: 2481400 89.8021 -238.187 -228.909 -111.009 231.644 -50.4833 -125.61 5.09213 -285.553 PRESSAVG: 2481400 6.09568 78.9575 33.3759 78.9575 4.86605 16.7574 33.3759 16.7574 5.7718 GPRESSAVG: 2481400 5.12564 79.2312 30.7899 77.5858 6.45731 17.9061 33.7442 17.5736 5.43479 TIMING: 2481400 CPU: 7750.25, 0.00308448/step Wall: 7750.25, 0.00308448/step, 2.15793 hours remaining, 234.511719 MB of memory in use. ENERGY: 2481400 4013.9304 20516.1943 14483.4205 237.2847 -203513.7092 2982.8654 0.0000 0.0000 52059.2638 -109220.7501 299.1853 -161280.0140 -108854.6482 299.2238 -19.9459 11.9646 761297.4365 5.5778 5.6726 PRESSURE: 2481600 15.3934 65.8761 -78.6207 65.8759 -69.5269 25.2251 -78.6198 25.2235 560.987 GPRESSURE: 2481600 92.1051 -19.2351 -79.2958 88.7457 23.2067 79.1141 -77.4482 -17.172 472.625 PRESSAVG: 2481600 26.7957 68.2009 -3.88668 68.2009 4.23853 -1.13772 -3.88668 -1.13779 13.2575 GPRESSAVG: 2481600 28.346 68.2402 -4.289 68.6337 3.17436 -2.28597 -4.98938 -1.7651 12.7409 TIMING: 2481600 CPU: 7750.87, 0.00310253/step Wall: 7750.87, 0.00310253/step, 2.17039 hours remaining, 234.511719 MB of memory in use. ENERGY: 2481600 3954.4802 20495.6933 14451.2974 246.4444 -203267.0372 2902.5994 0.0000 0.0000 52062.1817 -109154.3408 299.2021 -161216.5225 -108787.5110 298.9691 168.9510 195.9790 762910.1958 14.7639 14.7538 PRESSURE: 2481800 -54.6429 166.736 353.631 166.735 252.476 4.43989 353.631 4.43989 -81.8312 GPRESSURE: 2481800 -107.39 132.253 323.753 53.7534 381.533 -2.73503 362.97 -81.0178 -66.9377 PRESSAVG: 2481800 73.9212 27.7582 -18.6816 27.7581 -45.0585 13.7187 -18.6816 13.7187 9.3862 GPRESSAVG: 2481800 72.0064 28.9052 -16.7961 27.8219 -43.6301 12.0493 -20.1584 13.6274 9.87667 TIMING: 2481800 CPU: 7751.49, 0.00308402/step Wall: 7751.49, 0.00308402/step, 2.15727 hours remaining, 234.511719 MB of memory in use. ENERGY: 2481800 3965.7305 20606.2511 14498.3853 239.9659 -202930.8695 2599.3360 0.0000 0.0000 51941.6894 -109079.5113 298.5096 -161021.2007 -108711.4245 299.2024 38.6672 69.0686 764324.2199 12.7496 12.7510 PRESSURE: 2482000 -91.0351 146.047 -147.974 146.047 -275.002 -45.3001 -147.975 -45.3005 -486.896 GPRESSURE: 2482000 -48.2546 88.9974 -189.59 134.138 -264.765 -11.6298 -52.2446 135.585 -462.522 PRESSAVG: 2482000 -59.2303 41.6992 -51.0115 41.6991 -22.5889 37.5537 -51.0115 37.5538 -15.1078 GPRESSAVG: 2482000 -57.8764 39.8885 -52.1921 43.7695 -22.2486 40.8671 -49.082 39.1971 -17.1106 TIMING: 2482000 CPU: 7752.11, 0.00310224/step Wall: 7752.11, 0.00310224/step, 2.16985 hours remaining, 234.511719 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: 2482000 4112.6933 20549.6233 14485.3996 268.3011 -203147.7873 2729.1739 0.0000 0.0000 51988.2390 -109014.3570 298.7771 -161002.5960 -108670.2396 299.4577 -284.3109 -258.5139 763907.8003 -32.3090 -32.4119 PRESSURE: 2482200 -244.87 -120.969 -169.617 -120.969 48.42 -12.3194 -169.618 -12.3191 -389.539 GPRESSURE: 2482200 -161.439 -61.9102 -164.722 -181.517 -4.81467 -14.3792 -119.526 -27.468 -336.686 PRESSAVG: 2482200 48.9181 -0.38525 -21.2569 -0.385177 -49.6944 34.3966 -21.2569 34.3966 9.27557 GPRESSAVG: 2482200 48.253 0.492873 -21.3869 -1.52988 -52.3715 33.5782 -19.2971 32.2213 12.2088 TIMING: 2482200 CPU: 7752.73, 0.00309386/step Wall: 7752.73, 0.00309386/step, 2.16381 hours remaining, 234.511719 MB of memory in use. ENERGY: 2482200 4106.9520 20424.7546 14513.2087 239.2823 -202963.5991 2697.8972 0.0000 0.0000 51906.0475 -109075.4567 298.3048 -160981.5042 -108714.5345 299.3072 -195.3295 -167.6466 763297.5771 2.8331 2.6968 PRESSURE: 2482400 -274.819 91.0421 6.65241 91.0423 98.4197 -0.169363 6.65175 -0.16888 281.68 GPRESSURE: 2482400 -207.817 36.467 74.0087 173.195 157.869 57.1807 -17.6763 59.5472 255.693 PRESSAVG: 2482400 7.24576 2.68913 -6.10757 2.68919 19.9573 -2.97747 -6.10755 -2.97751 5.54428 GPRESSAVG: 2482400 6.39139 1.85434 -4.36198 2.74317 21.4686 -2.27294 -10.4667 -2.24911 4.83026 TIMING: 2482400 CPU: 7753.35, 0.00310578/step Wall: 7753.35, 0.00310578/step, 2.17197 hours remaining, 234.511719 MB of memory in use. ENERGY: 2482400 4063.5488 20565.7750 14441.8025 251.8594 -203201.3370 2795.3240 0.0000 0.0000 52007.6897 -109075.3376 298.8889 -161083.0273 -108713.1625 299.2732 35.0934 68.5818 764060.5241 10.9158 10.8968 PRESSURE: 2482600 -471.025 165.593 -101.551 165.593 -256.382 -63.7319 -101.551 -63.7323 -349.56 GPRESSURE: 2482600 -456.915 28.3917 -90.7359 57.0107 -196.515 -77.8241 -42.165 -5.82669 -325.804 PRESSAVG: 2482600 42.6539 1.15591 -17.7744 1.15585 -60.3835 -8.4818 -17.7743 -8.48183 -16.5676 GPRESSAVG: 2482600 43.7123 1.19052 -18.2819 0.799354 -60.3881 -10.6907 -16.1733 -6.19047 -17.2008 TIMING: 2482600 CPU: 7753.97, 0.0031191/step Wall: 7753.97, 0.0031191/step, 2.18112 hours remaining, 234.511719 MB of memory in use. ENERGY: 2482600 4004.9388 20491.3550 14530.9955 249.4631 -202731.8308 2521.7723 0.0000 0.0000 52010.7835 -108922.5225 298.9067 -160933.3061 -108561.6708 299.3872 -358.9892 -326.4111 764678.4562 -11.4324 -11.2922 PRESSURE: 2482800 194.647 -114.959 -18.4969 -114.959 -95.0176 -32.7281 -18.4969 -32.7273 193.23 GPRESSURE: 2482800 206.753 -84.8709 26.6752 -5.76114 -37.664 -81.8765 82.85 91.5917 208.575 PRESSAVG: 2482800 31.8741 1.63796 42.7943 1.63789 -20.9075 -5.30122 42.7943 -5.30129 -0.903436 GPRESSAVG: 2482800 31.1406 2.13232 41.4523 2.19208 -20.7377 -3.46193 44.0692 -7.79706 -0.491526 TIMING: 2482800 CPU: 7754.59, 0.00310675/step Wall: 7754.59, 0.00310675/step, 2.17231 hours remaining, 234.511719 MB of memory in use. ENERGY: 2482800 4027.1183 20606.1437 14498.0298 245.2460 -203242.2613 2797.3120 0.0000 0.0000 52184.5211 -108883.8904 299.9052 -161068.4115 -108525.2033 299.4807 97.6199 125.8879 762450.5450 3.3544 3.3038 PRESSURE: 2483000 -52.0685 110.159 82.7491 110.159 350.009 81.677 82.749 81.6781 -362.089 GPRESSURE: 2483000 52.4477 80.0508 123.017 205.021 315.975 119.393 74.6026 58.1849 -355.779 PRESSAVG: 2483000 -11.8931 7.64607 48.9956 7.64608 -21.6036 -26.1135 48.9956 -26.1135 16.7925 GPRESSAVG: 2483000 -11.384 9.54896 50.5831 6.7737 -21.3173 -27.6977 49.9596 -24.7481 15.7999 TIMING: 2483000 CPU: 7755.21, 0.00310135/step Wall: 7755.21, 0.00310135/step, 2.16836 hours remaining, 234.511719 MB of memory in use. ENERGY: 2483000 4046.9307 20627.0153 14501.5180 263.2955 -203484.8641 3006.6655 0.0000 0.0000 52300.0087 -108739.4304 300.5689 -161039.4391 -108381.6304 300.0572 -21.3828 4.2145 761803.3019 -5.5681 -5.6338 PRESSURE: 2483200 -185.017 -84.5005 51.0781 -84.5005 -293.538 -8.59035 51.0782 -8.58906 -420.746 GPRESSURE: 2483200 -206.582 3.00558 4.15316 -130.201 -247.648 30.7511 160.006 -2.16171 -389.657 PRESSAVG: 2483200 -22.5171 7.99374 23.5274 7.99376 49.5365 4.10651 23.5274 4.10653 -6.23479 GPRESSAVG: 2483200 -21.5479 5.9979 23.1339 7.20739 48.2586 4.85984 21.7807 2.77158 -5.99326 TIMING: 2483200 CPU: 7755.84, 0.00311049/step Wall: 7755.84, 0.00311049/step, 2.17458 hours remaining, 234.511719 MB of memory in use. ENERGY: 2483200 4005.2174 20709.9617 14438.2913 236.1099 -202466.8219 2396.5076 0.0000 0.0000 52174.3368 -108506.3974 299.8466 -160680.7341 -108149.8495 300.3165 -299.7669 -281.2955 762830.5310 6.9282 6.9058 PRESSURE: 2483400 -325.597 -99.486 -90.0591 -99.4863 120.862 174.453 -90.0589 174.454 141.463 GPRESSURE: 2483400 -293.469 -174.863 0.0912773 -89.9759 166.8 109.84 -39.0655 79.2939 175.178 PRESSAVG: 2483400 -23.2009 -33.2245 67.3109 -33.2245 -18.6501 6.16899 67.3109 6.169 9.5176 GPRESSAVG: 2483400 -24.1568 -32.2182 67.9113 -31.8952 -18.2331 5.65753 68.8087 8.05088 10.5836 TIMING: 2483400 CPU: 7756.46, 0.00309297/step Wall: 7756.46, 0.00309297/step, 2.16216 hours remaining, 234.511719 MB of memory in use. ENERGY: 2483400 3954.5552 20507.3984 14467.4270 244.3462 -202710.6275 2637.1525 0.0000 0.0000 52061.3445 -108838.4036 299.1973 -160899.7481 -108471.2872 300.1178 -21.0907 16.1698 762271.3259 -10.7778 -10.6021 PRESSURE: 2483600 185.467 -49.3283 70.6319 -49.3281 81.9151 40.5687 70.6315 40.5675 71.072 GPRESSURE: 2483600 168.338 -32.2884 117.153 -17.2357 144.871 26.4523 -47.3655 11.9613 104.018 PRESSAVG: 2483600 -4.37394 12.4503 27.6629 12.4503 17.9504 -40.5043 27.6629 -40.5043 -6.77236 GPRESSAVG: 2483600 -5.01714 11.0947 26.2914 12.9007 18.3671 -41.2614 25.216 -41.1069 -6.97479 TIMING: 2483600 CPU: 7757.07, 0.00309558/step Wall: 7757.07, 0.00309558/step, 2.16381 hours remaining, 234.511719 MB of memory in use. ENERGY: 2483600 4006.3067 20495.3258 14473.4290 241.1142 -202988.4561 2824.2489 0.0000 0.0000 52277.4497 -108670.5818 300.4392 -160948.0315 -108307.9641 300.5830 112.8179 139.0755 762137.0318 2.2680 2.1251 PRESSURE: 2483800 -27.4342 -78.7374 -94.8618 -78.7369 189.733 -14.5398 -94.8618 -14.5394 -147.211 GPRESSURE: 2483800 21.1855 0.335212 -111.981 -92.1151 193.977 -70.0421 -185.902 32.7206 -106.46 PRESSAVG: 2483800 -17.8168 28.4581 2.22279 28.4581 -10.0301 10.7497 2.22283 10.7498 -1.95507 GPRESSAVG: 2483800 -18.3788 30.4058 2.07943 26.3047 -10.6351 10.8526 1.29131 10.152 -1.87124 TIMING: 2483800 CPU: 7757.69, 0.0030879/step Wall: 7757.69, 0.0030879/step, 2.15827 hours remaining, 234.511719 MB of memory in use. ENERGY: 2483800 4074.3269 20504.0773 14511.4203 257.9540 -203011.4636 2945.9374 0.0000 0.0000 52095.7519 -108621.9959 299.3950 -160717.7478 -108266.1122 300.1586 5.0291 36.2342 765690.5835 -9.9340 -10.2950 PRESSURE: 2484000 301.98 165.571 -20.5597 165.571 16.5212 41.2482 -20.5606 41.2487 546.571 GPRESSURE: 2484000 276.609 115.348 -79.3453 140.316 6.47131 44.4954 32.0897 6.71215 658.425 PRESSAVG: 2484000 -5.82012 -0.715123 -8.96334 -0.715125 8.4815 24.9536 -8.96337 24.9536 -20.7542 GPRESSAVG: 2484000 -6.02913 -3.46235 -7.38422 2.35764 8.40531 25.9966 -8.92551 25.8866 -19.7818 TIMING: 2484000 CPU: 7758.31, 0.00308853/step Wall: 7758.31, 0.00308853/step, 2.15854 hours remaining, 234.511719 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: 2484000 4014.0270 20610.7847 14513.0232 237.3427 -202761.2763 2681.7783 0.0000 0.0000 52144.1169 -108560.2035 299.6730 -160704.3204 -108196.6680 300.4287 288.3576 313.8351 763139.0669 -6.0309 -5.8019 PRESSURE: 2484200 -383.914 310.335 -82.7324 310.336 -294.115 137.117 -82.7321 137.118 259.553 GPRESSURE: 2484200 -323.427 298.77 74.522 276.046 -294.662 161.552 -44.8599 197.493 271.691 PRESSAVG: 2484200 48.6304 11.8297 19.8905 11.8297 -43.7439 8.80525 19.8906 8.80523 10.62 GPRESSAVG: 2484200 48.0283 14.5882 18.0306 11.0716 -41.6194 8.18298 20.3864 7.62703 9.24688 TIMING: 2484200 CPU: 7758.93, 0.00310531/step Wall: 7758.93, 0.00310531/step, 2.17009 hours remaining, 234.511719 MB of memory in use. ENERGY: 2484200 3964.5126 20605.9771 14463.3791 238.6319 -202709.0288 2442.7849 0.0000 0.0000 52206.2253 -108787.5178 300.0299 -160993.7432 -108414.1857 300.2191 -139.4924 -115.4662 763030.6567 5.1688 5.2186 LDB: ============= START OF LOAD BALANCING ============== 7771.41 LDB: ============== END OF LOAD BALANCING =============== 7771.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7771.41 LDB: ============= START OF LOAD BALANCING ============== 7771.72 LDB: Largest compute 7041 load 0.029604 is 15.2% of average load 0.195152 LDB: Average compute 0.004386 is 2.2% of average load 0.195152 LDB: TIME 7771.72 LOAD: AVG 0.195152 MAX 0.214669 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.273 MB LDB: TIME 7771.72 LOAD: AVG 0.195152 MAX 0.214669 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.273 MB LDB: TIME 7771.72 LOAD: AVG 0.195152 MAX 0.214669 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.273 MB LDB: ============== END OF LOAD BALANCING =============== 7771.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7771.73 PRESSURE: 2484400 230.973 56.8118 -37.9526 56.8122 -686.635 -157.866 -37.9538 -157.867 -118.274 GPRESSURE: 2484400 204.172 54.2238 -34.8218 72.852 -593.445 -103.047 71.035 -171.712 -105.449 PRESSAVG: 2484400 -4.33354 17.1505 9.35052 17.1506 -27.9942 47.018 9.35059 47.018 4.06322 GPRESSAVG: 2484400 -4.46691 15.2844 9.37818 17.8684 -29.1324 47.8742 10.7894 47.3917 5.15029 TIMING: 2484400 CPU: 7759.56, 0.00316784/step Wall: 7759.56, 0.00316784/step, 2.21361 hours remaining, 234.312500 MB of memory in use. ENERGY: 2484400 4051.5913 20564.1231 14380.7790 236.9711 -203157.8593 2634.9837 0.0000 0.0000 52383.4617 -108905.9493 301.0485 -161289.4110 -108543.6324 300.1045 -191.3118 -164.9075 765367.4694 -9.4215 -9.4830 PRESSURE: 2484600 -283.181 211.159 -158.492 211.158 -156.472 75.8969 -158.492 75.8963 -139.482 GPRESSURE: 2484600 -350.958 144.336 -277.354 298.136 -79.4842 40.1648 -68.2773 62.5272 -71.0515 PRESSAVG: 2484600 -35.6966 38.771 4.34077 38.771 56.4071 24.6772 4.34071 24.6772 -5.76557 GPRESSAVG: 2484600 -33.8143 37.673 3.31845 38.2886 55.0548 23.7148 5.13347 26.3716 -6.11348 TIMING: 2484600 CPU: 7760.18, 0.00310298/step Wall: 7760.18, 0.00310298/step, 2.16812 hours remaining, 234.312500 MB of memory in use. ENERGY: 2484600 3950.5727 20600.5753 14414.2056 248.7131 -202814.8939 2457.3407 0.0000 0.0000 52237.8254 -108905.6610 300.2115 -161143.4864 -108533.9332 299.5526 -193.0450 -167.1646 764658.0750 4.9816 5.0423 PRESSURE: 2484800 -217.835 -57.8086 -114.589 -57.8078 92.169 99.4799 -114.588 99.4798 -187.371 GPRESSURE: 2484800 -240.837 162.278 -60.3148 -48.7511 175.667 73.0161 72.207 135.11 -186.157 PRESSAVG: 2484800 -72.0593 38.7176 34.6374 38.7176 66.0099 -6.29847 34.6374 -6.29853 10.5008 GPRESSAVG: 2484800 -73.1853 39.7313 36.3922 37.8807 67.5494 -7.7386 33.6326 -7.78623 10.1035 TIMING: 2484800 CPU: 7760.81, 0.0031037/step Wall: 7760.81, 0.0031037/step, 2.16845 hours remaining, 234.312500 MB of memory in use. ENERGY: 2484800 3961.0806 20590.4773 14374.5668 252.6970 -202866.6535 2598.0361 0.0000 0.0000 52159.3050 -108930.4908 299.7602 -161089.7958 -108567.2766 299.5966 -104.3458 -83.7758 766400.3211 1.4838 1.4892 PRESSURE: 2485000 306.218 -60.5567 -168.756 -60.5565 -145.474 -32.8208 -168.756 -32.8205 42.4035 GPRESSURE: 2485000 322.574 -30.9275 -98.1775 -33.3784 -72.7767 -71.8607 -136.13 88.7847 41.0025 PRESSAVG: 2485000 -27.073 10.3316 80.5599 10.3317 -3.76137 20.9106 80.5599 20.9106 -2.06281 GPRESSAVG: 2485000 -26.3412 11.0548 79.9429 12.513 -3.29948 22.1407 81.838 21.4822 -3.19259 TIMING: 2485000 CPU: 7761.43, 0.00309781/step Wall: 7761.43, 0.00309781/step, 2.16417 hours remaining, 234.312500 MB of memory in use. ENERGY: 2485000 4057.3615 20452.3945 14457.6122 244.0498 -202846.3042 2696.2639 0.0000 0.0000 52160.4633 -108778.1590 299.7669 -160938.6223 -108416.9601 299.6544 67.7158 96.9332 764900.8119 -10.9657 -10.9444 PRESSURE: 2485200 -79.1716 -108.156 -142.043 -108.157 -91.8255 -112.045 -142.044 -112.046 -661.685 GPRESSURE: 2485200 -101.728 -119.362 -106.29 -66.7856 49.1591 -164.946 -182.844 -108.764 -689.6 PRESSAVG: 2485200 7.45693 -9.56068 67.524 -9.56069 -23.2058 12.2577 67.524 12.2577 -14.2729 GPRESSAVG: 2485200 6.782 -9.72345 66.83 -9.99633 -23.611 12.6982 66.1597 10.8951 -13.2083 TIMING: 2485200 CPU: 7762.04, 0.00309332/step Wall: 7762.04, 0.00309332/step, 2.16085 hours remaining, 234.312500 MB of memory in use. ENERGY: 2485200 4102.9180 20487.6319 14497.5097 221.3990 -202731.8346 2698.2483 0.0000 0.0000 51943.0671 -108781.0607 298.5175 -160724.1277 -108409.7473 299.6042 -277.5608 -247.3899 766218.1041 -10.0072 -10.0124 PRESSURE: 2485400 10.9335 153.903 194.909 153.902 -9.10692 -63.6478 194.909 -63.648 182.797 GPRESSURE: 2485400 25.7078 117.425 259.908 82.8843 40.7822 -97.0293 82.9082 -84.3837 211.553 PRESSAVG: 2485400 -37.5439 46.1141 90.2088 46.1141 12.5207 1.72549 90.2088 1.72547 -10.942 GPRESSAVG: 2485400 -35.4354 45.2878 91.1687 47.0876 11.3506 1.05118 89.4263 3.44277 -12.1086 TIMING: 2485400 CPU: 7762.66, 0.00310406/step Wall: 7762.66, 0.00310406/step, 2.16818 hours remaining, 234.312500 MB of memory in use. ENERGY: 2485400 3995.8139 20485.8054 14466.5152 248.0882 -203210.7177 2881.6185 0.0000 0.0000 52321.5743 -108811.3022 300.6928 -161132.8765 -108449.4502 299.3646 61.5412 92.6811 765076.8498 -11.9884 -12.0645 PRESSURE: 2485600 85.8382 86.273 -56.1157 86.2733 259.334 13.2336 -56.116 13.2346 -128.112 GPRESSURE: 2485600 32.5895 107.502 14.5387 64.1676 292.339 -92.9613 22.3794 78.3898 -37.3404 PRESSAVG: 2485600 5.18458 6.78137 51.2724 6.78138 -11.3168 -21.123 51.2725 -21.1231 -12.4188 GPRESSAVG: 2485600 4.43475 9.11036 50.378 4.2999 -11.2528 -21.0265 52.8416 -19.9286 -11.3617 TIMING: 2485600 CPU: 7763.28, 0.00309419/step Wall: 7763.28, 0.00309419/step, 2.16112 hours remaining, 234.312500 MB of memory in use. ENERGY: 2485600 3948.6735 20593.7649 14515.7663 257.1135 -202968.8796 2653.0974 0.0000 0.0000 52226.1369 -108774.3271 300.1443 -161000.4640 -108423.8034 299.9147 72.3533 95.8628 762632.8433 -6.1837 -6.0599 PRESSURE: 2485800 46.2487 43.8604 -103.271 43.8605 25.736 64.8705 -103.271 64.8701 -72.9682 GPRESSURE: 2485800 33.821 32.6701 -51.7787 92.6922 159.834 -12.8567 -12.956 -2.23234 -104.032 PRESSAVG: 2485800 17.4416 15.4393 -31.5438 15.4393 -6.83803 3.99201 -31.5439 3.992 44.9368 GPRESSAVG: 2485800 16.6672 12.5536 -31.2333 16.3033 -4.7045 4.44289 -31.6217 2.17199 43.7838 TIMING: 2485800 CPU: 7763.91, 0.00311366/step Wall: 7763.91, 0.00311366/step, 2.17454 hours remaining, 234.312500 MB of memory in use. ENERGY: 2485800 3940.3661 20295.1374 14462.2318 246.2485 -203159.8006 2863.5735 0.0000 0.0000 52279.9172 -109072.3261 300.4534 -161352.2433 -108699.6594 299.8999 -0.3278 29.8743 762065.8752 18.5135 18.5822 PRESSURE: 2486000 5.38623 -63.3176 70.4761 -63.3176 136.078 5.59312 70.4757 5.59274 211.309 GPRESSURE: 2486000 81.0626 10.7416 55.9686 -112.86 172.093 120.409 93.0317 -139.906 169.929 PRESSAVG: 2486000 55.3602 -1.81133 -16.1498 -1.81136 -17.3057 -30.7935 -16.1498 -30.7935 -31.1778 GPRESSAVG: 2486000 55.6135 0.0331369 -15.8287 -0.859059 -19.2648 -32.009 -16.4299 -29.2851 -29.701 TIMING: 2486000 CPU: 7764.53, 0.00310485/step Wall: 7764.53, 0.00310485/step, 2.16822 hours remaining, 234.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2486000 4022.2787 20585.0789 14451.0486 256.0450 -203172.5801 2554.5002 0.0000 0.0000 52080.3200 -109223.3086 299.3063 -161303.6286 -108863.9405 299.5276 117.5911 141.0284 761151.8343 2.2922 2.2159 PRESSURE: 2486200 -2.1111 75.3155 -58.4946 75.3151 184.503 -180.278 -58.4934 -180.279 -113.218 GPRESSURE: 2486200 -51.4687 75.3858 -105.397 28.5192 295.974 -117.865 -83.4662 -180.232 -101.919 PRESSAVG: 2486200 -7.66513 21.8944 -13.97 21.8944 -30.765 -76.5404 -13.9701 -76.5403 18.6514 GPRESSAVG: 2486200 -6.60303 21.1986 -13.7244 20.3371 -30.3359 -73.3102 -13.8311 -77.3041 17.3121 TIMING: 2486200 CPU: 7765.15, 0.00310462/step Wall: 7765.15, 0.00310462/step, 2.16788 hours remaining, 234.312500 MB of memory in use. ENERGY: 2486200 3981.9778 20506.5574 14506.0701 248.7114 -203013.7210 2656.9483 0.0000 0.0000 52044.7145 -109068.7417 299.1017 -161113.4561 -108707.2607 299.0716 23.0580 47.5289 762122.4239 -6.5929 -6.5423 PRESSURE: 2486400 -430.457 14.2384 116.52 14.239 -80.0092 -75.9755 116.52 -75.9767 -181.726 GPRESSURE: 2486400 -381.238 2.76029 182.942 2.09847 -68.0251 -107.32 77.027 -23.8321 -175.516 PRESSAVG: 2486400 -45.288 -3.19759 34.6543 -3.1976 50.6318 -40.7663 34.6543 -40.7663 9.59589 GPRESSAVG: 2486400 -46.9473 -2.24009 34.1591 -2.065 51.3423 -43.1149 36.534 -40.0855 10.5984 TIMING: 2486400 CPU: 7765.77, 0.00311667/step Wall: 7765.77, 0.00311667/step, 2.17613 hours remaining, 234.312500 MB of memory in use. ENERGY: 2486400 4061.7857 20563.0322 14420.6699 256.5154 -202865.8910 2646.4295 0.0000 0.0000 51934.2180 -108983.2404 298.4667 -160917.4584 -108634.7983 299.7030 -230.7307 -208.2598 764315.6822 4.9799 4.9978 PRESSURE: 2486600 5.10265 -38.9125 -11.2023 -38.9124 -291.373 -62.4224 -11.2022 -62.4223 -202.06 GPRESSURE: 2486600 60.4734 -131.845 -37.6793 24.8203 -269.634 -149.665 87.0662 7.774 -188.697 PRESSAVG: 2486600 -6.59031 15.0989 26.3399 15.0989 28.5075 -12.7945 26.3399 -12.7945 3.61987 GPRESSAVG: 2486600 -7.11075 14.4953 25.2335 15.864 28.877 -11.6199 25.0516 -15.0916 3.92732 TIMING: 2486600 CPU: 7766.39, 0.00311198/step Wall: 7766.39, 0.00311198/step, 2.17268 hours remaining, 234.312500 MB of memory in use. ENERGY: 2486600 4066.0114 20583.6797 14431.2375 248.0089 -203283.5813 2660.4013 0.0000 0.0000 52091.0228 -109203.2197 299.3678 -161294.2425 -108851.0178 299.0870 -162.7767 -132.6191 764845.4739 8.5123 8.5645 PRESSURE: 2486800 -209.12 131.211 250.985 131.211 -401.82 -79.0554 250.984 -79.056 -598.626 GPRESSURE: 2486800 -196.865 194.289 232.698 192.562 -348.411 35.0262 165.383 -138.455 -583.893 PRESSAVG: 2486800 -13.8103 29.027 -6.208 29.027 0.958992 -1.8894 -6.20805 -1.8894 14.6799 GPRESSAVG: 2486800 -11.9435 30.0791 -5.59785 26.8413 -0.938335 -2.71895 -7.28526 -0.101955 14.5821 TIMING: 2486800 CPU: 7767.02, 0.0031345/step Wall: 7767.02, 0.00313449/step, 2.18823 hours remaining, 234.312500 MB of memory in use. ENERGY: 2486800 4015.9929 20372.2550 14515.9521 245.3129 -202951.5900 2551.7637 0.0000 0.0000 51890.0392 -109360.2742 298.2128 -161250.3134 -109006.6238 298.8719 -403.1886 -376.3895 764159.7638 0.6095 0.5667 PRESSURE: 2487000 219.238 -219.186 -50.025 -219.185 305.448 -46.8736 -50.0245 -46.8721 -195.807 GPRESSURE: 2487000 249.207 -70.8819 3.8846 -263.778 330.982 -47.8346 37.9142 -158.948 -163.106 PRESSAVG: 2487000 41.0337 -4.69221 1.52309 -4.69221 -49.9827 -4.81314 1.52309 -4.81308 0.840587 GPRESSAVG: 2487000 40.5132 -5.86648 2.49643 -2.35218 -48.6126 -4.48751 1.4475 -6.59918 0.096567 TIMING: 2487000 CPU: 7767.65, 0.00312549/step Wall: 7767.65, 0.00312549/step, 2.18177 hours remaining, 234.312500 MB of memory in use. ENERGY: 2487000 3966.8037 20424.1051 14432.0673 257.1730 -203506.2042 2955.3320 0.0000 0.0000 51791.0025 -109679.7206 297.6436 -161470.7231 -109325.3098 298.0850 109.6264 139.0278 763249.4465 -2.7028 -2.6676 PRESSURE: 2487200 404.922 105.705 25.8576 105.705 79.4472 -72.5442 25.8586 -72.5436 113.886 GPRESSURE: 2487200 485.7 117.366 -6.18823 112.322 154.818 2.10931 -38.0509 43.9716 32.027 PRESSAVG: 2487200 -1.36229 28.819 -8.13914 28.819 -6.91329 -9.45137 -8.13911 -9.45138 26.5838 GPRESSAVG: 2487200 -1.93024 28.7981 -9.02592 29.4293 -6.72261 -8.04331 -7.05625 -8.12389 27.3687 TIMING: 2487200 CPU: 7768.27, 0.00314238/step Wall: 7768.27, 0.00314238/step, 2.19338 hours remaining, 234.312500 MB of memory in use. ENERGY: 2487200 3937.9947 20332.6231 14475.1607 245.5980 -203160.3966 2712.7551 0.0000 0.0000 51978.4408 -109477.8242 298.7208 -161456.2650 -109107.5116 298.7222 199.4185 224.1818 763307.0984 6.1027 6.2386 PRESSURE: 2487400 -263.668 22.4074 42.7445 22.4066 22.062 -314.126 42.7444 -314.127 -158.752 GPRESSURE: 2487400 -252.308 12.4651 35.2118 -35.0669 101.101 -335.465 7.90556 -283.091 -176.525 PRESSAVG: 2487400 -28.4563 -19.7673 9.69208 -19.7673 77.8661 -22.7967 9.69209 -22.7968 -15.8364 GPRESSAVG: 2487400 -28.5378 -20.1768 10.2351 -20.6152 77.4152 -24.0413 7.74108 -22.4177 -15.6672 TIMING: 2487400 CPU: 7768.9, 0.0031333/step Wall: 7768.9, 0.0031333/step, 2.18687 hours remaining, 234.312500 MB of memory in use. ENERGY: 2487400 3981.7608 20144.7958 14371.9130 249.0090 -203408.7009 2986.1098 0.0000 0.0000 51858.2909 -109816.8216 298.0303 -161675.1125 -109450.3834 297.9417 -133.4526 -109.2442 763104.3119 11.1911 11.0701 PRESSURE: 2487600 -146.896 -15.8546 35.8954 -15.8544 -212.307 147.372 35.8948 147.371 307.024 GPRESSURE: 2487600 -114.123 15.0663 105.773 11.1336 -70.253 64.7764 108.266 132.983 202.738 PRESSAVG: 2487600 -51.8972 -10.6489 50.5916 -10.6489 39.3264 -6.22921 50.5916 -6.22921 7.97264 GPRESSAVG: 2487600 -52.3829 -9.26474 50.7321 -10.9961 40.4062 -6.34652 52.6998 -6.91533 7.84841 TIMING: 2487600 CPU: 7769.52, 0.00311897/step Wall: 7769.52, 0.00311897/step, 2.1767 hours remaining, 234.312500 MB of memory in use. ENERGY: 2487600 3968.5553 20247.3146 14524.4449 229.1754 -203420.4440 2811.0463 0.0000 0.0000 52152.9628 -109486.9448 299.7238 -161639.9076 -109123.1290 297.8315 -17.3930 6.1205 763285.8022 -1.5327 -1.3761 PRESSURE: 2487800 -222.322 -172.613 31.5844 -172.613 -348.284 190.042 31.5843 190.043 143.341 GPRESSURE: 2487800 -172.929 -302.672 86.4282 -214.773 -291.041 144.423 26.4024 169.047 99.8369 PRESSAVG: 2487800 -30.149 -32.5579 12.7383 -32.5579 21.7921 59.1887 12.7382 59.1885 1.17124 GPRESSAVG: 2487800 -29.0743 -33.8465 13.2087 -34.2554 20.2623 60.0831 11.5565 58.121 1.59554 TIMING: 2487800 CPU: 7770.15, 0.00311002/step Wall: 7770.15, 0.00311002/step, 2.17028 hours remaining, 234.312500 MB of memory in use. ENERGY: 2487800 4023.7076 20488.2739 14433.9159 256.2164 -203283.7263 2627.9761 0.0000 0.0000 51903.5367 -109550.0996 298.2903 -161453.6363 -109201.9559 298.3813 -142.4218 -121.3775 762339.4987 -2.3952 -2.4055 PRESSURE: 2488000 -305.63 -278.537 292.498 -278.536 111.613 -171.513 292.499 -171.515 41.2422 GPRESSURE: 2488000 -221.206 -363.298 337.365 -251.305 178.437 -230.829 237.563 -213.211 -12.1253 PRESSAVG: 2488000 -26.3027 -52.5749 30.6277 -52.5748 26.8178 -57.6531 30.6276 -57.6531 11.3892 GPRESSAVG: 2488000 -26.6489 -51.5659 31.1011 -51.5126 26.2299 -58.1897 31.061 -55.3618 12.0713 TIMING: 2488000 CPU: 7770.77, 0.00310905/step Wall: 7770.77, 0.00310905/step, 2.16943 hours remaining, 234.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2488000 3917.6048 20356.0601 14426.1692 245.2862 -203442.4046 3043.9944 0.0000 0.0000 51831.9535 -109621.3365 297.8789 -161453.2901 -109261.8814 298.4065 -50.9250 -18.2979 763659.6389 3.9681 3.8841 PRESSURE: 2488200 -221.163 51.972 -238.867 51.972 462.922 -482.842 -238.868 -482.842 -183.546 GPRESSURE: 2488200 -175.561 98.0455 -161.362 55.9071 442.829 -589.7 -221.92 -322.931 -121.49 PRESSAVG: 2488200 -2.56219 12.0381 -46.6407 12.0382 17.8012 -8.00549 -46.6407 -8.00545 -36.2345 GPRESSAVG: 2488200 -2.50941 11.7352 -47.9178 10.7361 18.3015 -9.78124 -45.4574 -7.25082 -37.2741 TIMING: 2488200 CPU: 7771.39, 0.0030993/step Wall: 7771.39, 0.0030993/step, 2.16245 hours remaining, 234.312500 MB of memory in use. ENERGY: 2488200 3922.0282 20328.2071 14344.8874 261.9827 -202817.1317 2615.9534 0.0000 0.0000 51996.7069 -109347.3660 298.8258 -161344.0729 -108979.2907 298.3047 19.4046 48.5929 762322.6097 -6.9985 -7.1607 LDB: ============= START OF LOAD BALANCING ============== 7783.86 LDB: ============== END OF LOAD BALANCING =============== 7783.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7783.87 LDB: ============= START OF LOAD BALANCING ============== 7784.18 LDB: Largest compute 7052 load 0.028327 is 14.5% of average load 0.195096 LDB: Average compute 0.004397 is 2.3% of average load 0.195096 LDB: TIME 7784.18 LOAD: AVG 0.195096 MAX 0.218108 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.023 MB LDB: TIME 7784.18 LOAD: AVG 0.195096 MAX 0.218108 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.121 MB LDB: TIME 7784.18 LOAD: AVG 0.195096 MAX 0.21717 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.121 MB LDB: ============== END OF LOAD BALANCING =============== 7784.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7784.19 PRESSURE: 2488400 185.708 -58.98 -135.273 -58.9794 457.755 182.807 -135.273 182.807 -21.0341 GPRESSURE: 2488400 208.604 -21.9112 -134.621 -71.1381 595.302 154.094 -119.621 124.25 -67.2297 PRESSAVG: 2488400 12.8421 -47.5744 -26.1156 -47.5744 -9.42384 -36.5866 -26.1157 -36.5866 12.8893 GPRESSAVG: 2488400 12.5495 -48.7046 -25.2991 -46.749 -8.56849 -34.6047 -29.605 -38.4134 12.1555 TIMING: 2488400 CPU: 7772.02, 0.00316326/step Wall: 7772.02, 0.00316326/step, 2.2069 hours remaining, 233.867188 MB of memory in use. ENERGY: 2488400 3964.0656 20281.0805 14495.9506 240.0747 -203293.6270 3038.6557 0.0000 0.0000 51986.3691 -109287.4308 298.7664 -161273.7999 -108920.3424 299.1003 207.4763 245.5587 762710.2303 5.4359 5.3788 PRESSURE: 2488600 283.406 103.915 -227.315 103.914 -37.5874 -95.0045 -227.314 -95.0037 399.049 GPRESSURE: 2488600 246.124 -19.6349 -277.788 89.0373 71.0242 -136.658 -279.214 -39.7588 397.434 PRESSAVG: 2488600 -37.335 -37.9426 -39.6991 -37.9427 -20.6846 -33.6229 -39.699 -33.6228 -7.06469 GPRESSAVG: 2488600 -37.1562 -37.5469 -40.2298 -37.3385 -20.2713 -33.0242 -39.2309 -33.3548 -8.05542 TIMING: 2488600 CPU: 7772.64, 0.00310008/step Wall: 7772.64, 0.00310008/step, 2.16265 hours remaining, 233.867188 MB of memory in use. ENERGY: 2488600 4001.6328 20236.2689 14454.8226 228.5717 -203871.6944 3360.0587 0.0000 0.0000 52331.3986 -109258.9410 300.7493 -161590.3397 -108897.6877 299.0340 214.9558 238.1939 761690.8825 -21.6947 -21.8276 PRESSURE: 2488800 -93.9158 29.2398 13.0083 29.2407 -206.571 -230.324 13.0081 -230.323 109.576 GPRESSURE: 2488800 -21.6429 35.261 -17.0806 97.4047 -240.586 -169.764 47.3053 -213.117 139.113 PRESSAVG: 2488800 -35.2173 -5.74242 -54.0115 -5.74247 -1.35835 -11.3135 -54.0115 -11.3135 -21.3474 GPRESSAVG: 2488800 -35.0095 -6.23361 -55.0609 -5.06563 -3.1306 -11.6351 -53.1233 -11.8859 -19.4193 TIMING: 2488800 CPU: 7773.26, 0.00310525/step Wall: 7773.26, 0.00310525/step, 2.16608 hours remaining, 233.867188 MB of memory in use. ENERGY: 2488800 3954.2047 20513.1902 14449.0355 244.1135 -202955.2488 2501.9116 0.0000 0.0000 51814.5263 -109478.2670 297.7788 -161292.7933 -109125.9478 298.8899 -63.6367 -41.0388 764211.6350 -19.3077 -19.1865 PRESSURE: 2489000 -130.089 243.593 187.619 243.594 -0.181196 162.575 187.618 162.575 -43.9823 GPRESSURE: 2489000 -64.1305 174.624 157.742 197.303 -14.0477 158.985 47.1555 121.006 -30.222 PRESSAVG: 2489000 59.6126 12.4401 -34.1352 12.44 -37.7132 -40.6234 -34.1351 -40.6234 13.999 GPRESSAVG: 2489000 60.1613 13.9222 -35.5358 10.2422 -38.3336 -39.8505 -32.6875 -38.7631 14.172 TIMING: 2489000 CPU: 7773.88, 0.00311273/step Wall: 7773.88, 0.00311273/step, 2.17113 hours remaining, 233.867188 MB of memory in use. ENERGY: 2489000 3936.2649 20731.1040 14385.5943 257.0362 -203173.0550 2593.6822 0.0000 0.0000 51949.3594 -109320.0139 298.5537 -161269.3734 -108960.9213 298.6606 -58.0841 -36.1334 761993.3312 11.9662 11.9999 PRESSURE: 2489200 -36.3321 -142.074 182.938 -142.075 -13.4338 123.629 182.937 123.629 314.209 GPRESSURE: 2489200 6.14736 2.57292 271.81 -56.2522 7.60507 199.844 89.3026 26.5195 325.371 PRESSAVG: 2489200 13.8891 3.85527 -24.6593 3.85526 -45.3245 -6.42164 -24.6593 -6.42164 11.0547 GPRESSAVG: 2489200 13.8222 4.5054 -22.3445 6.95043 -45.4924 -6.89659 -26.0361 -8.95225 10.9091 TIMING: 2489200 CPU: 7774.51, 0.00311523/step Wall: 7774.51, 0.00311523/step, 2.1727 hours remaining, 233.867188 MB of memory in use. ENERGY: 2489200 3987.4424 20619.5016 14515.7390 247.4174 -203314.4647 2857.1132 0.0000 0.0000 51759.0550 -109328.1961 297.4600 -161087.2510 -108968.2317 298.4755 88.1478 113.0413 764070.1168 -6.7935 -6.9204 PRESSURE: 2489400 -331.733 156.731 -74.0866 156.73 8.95062 62.6119 -74.0866 62.6117 -454.38 GPRESSURE: 2489400 -369.92 -1.49226 -72.9326 193.954 48.7747 152.544 -148.545 -57.9111 -375.729 PRESSAVG: 2489400 8.33192 24.8796 3.39677 24.8795 46.2231 -28.5361 3.39682 -28.5361 20.7253 GPRESSAVG: 2489400 7.03343 23.1571 3.28081 21.9843 48.2804 -29.0178 4.00326 -27.5616 19.8548 TIMING: 2489400 CPU: 7775.13, 0.00311377/step Wall: 7775.13, 0.00311377/step, 2.17151 hours remaining, 233.867188 MB of memory in use. ENERGY: 2489400 3935.7557 20438.9430 14476.3338 247.0171 -203244.3870 2547.2085 0.0000 0.0000 52002.4080 -109596.7209 298.8586 -161599.1289 -109231.8113 298.2008 -259.0544 -232.2915 763574.1776 25.0934 25.0562 PRESSURE: 2489600 -265.532 160.878 4.08195 160.878 213.032 -17.9021 4.08231 -17.9034 -55.0764 GPRESSURE: 2489600 -208.984 147.64 -8.76866 60.6201 248.485 -9.57516 -12.5373 40.5215 -62.2904 PRESSAVG: 2489600 -40.0499 6.41989 -50.6935 6.41994 26.4683 1.77905 -50.6935 1.7791 3.74997 GPRESSAVG: 2489600 -40.0496 7.22852 -50.8361 6.77897 25.6306 1.56304 -51.1375 0.432375 4.90004 TIMING: 2489600 CPU: 7775.75, 0.0030964/step Wall: 7775.75, 0.0030964/step, 2.15923 hours remaining, 233.867188 MB of memory in use. ENERGY: 2489600 3991.2310 20645.1388 14467.0268 263.8321 -203760.4397 2933.0539 0.0000 0.0000 52011.9479 -109448.2092 298.9134 -161460.1570 -109080.6927 298.1088 -35.8589 -7.5962 762496.9376 -3.2772 -3.1730 PRESSURE: 2489800 -150.588 3.78539 -67.4521 3.78492 258.024 -101.686 -67.4526 -101.687 161.267 GPRESSURE: 2489800 -86.33 101.104 -109.841 45.6295 296.973 -107.981 -81.8606 -106.495 155.639 PRESSAVG: 2489800 -54.8437 48.2167 -14.312 48.2167 5.50267 -65.7182 -14.312 -65.7182 -2.976 GPRESSAVG: 2489800 -54.1909 48.8283 -14.3634 48.1892 5.14745 -67.51 -14.7882 -64.6525 -3.76561 TIMING: 2489800 CPU: 7776.37, 0.00309274/step Wall: 7776.37, 0.00309274/step, 2.1565 hours remaining, 233.867188 MB of memory in use. ENERGY: 2489800 3986.3582 20723.7877 14423.5543 233.0734 -203635.7529 2982.3034 0.0000 0.0000 51855.7997 -109430.8762 298.0160 -161286.6759 -109068.9229 299.0262 89.5679 122.0941 761949.3455 -17.4390 -17.6030 PRESSURE: 2490000 -57.5646 8.74017 -225.175 8.73996 130.593 -62.3408 -225.175 -62.342 -316.922 GPRESSURE: 2490000 -33.0433 41.813 -189.661 9.37097 138.509 -45.8987 -64.3296 -145.306 -255.129 PRESSAVG: 2490000 -6.12483 10.0318 -10.4343 10.0318 15.826 -55.3369 -10.4344 -55.3368 17.347 GPRESSAVG: 2490000 -5.89137 11.7079 -10.1679 8.88614 15.3871 -54.1393 -7.60774 -56.049 17.3872 TIMING: 2490000 CPU: 7776.99, 0.0031117/step Wall: 7776.99, 0.0031117/step, 2.16955 hours remaining, 233.867188 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: 2490000 3975.3213 20458.5788 14426.4307 250.9386 -203427.9936 2921.9484 0.0000 0.0000 52011.9114 -109382.8646 298.9132 -161394.7760 -109008.6507 298.7465 -81.2979 -49.8878 764251.4589 9.0161 8.9610 PRESSURE: 2490200 -70.011 78.4069 -41.8162 78.4077 -102.166 -22.3751 -41.8163 -22.3759 -120.219 GPRESSURE: 2490200 -171.689 119.475 -18.5859 37.8378 -8.4366 -72.4825 -76.7701 -21.652 -38.1267 PRESSAVG: 2490200 -7.12687 -32.0802 16.711 -32.0802 24.2274 -9.52118 16.7109 -9.52124 -4.57892 GPRESSAVG: 2490200 -8.97799 -33.9849 17.7098 -30.1308 25.1741 -9.62706 16.5769 -7.26498 -3.71014 TIMING: 2490200 CPU: 7777.61, 0.00309779/step Wall: 7777.61, 0.00309779/step, 2.15968 hours remaining, 233.867188 MB of memory in use. ENERGY: 2490200 4029.4695 20497.2560 14400.4043 243.0114 -203200.0337 2720.9345 0.0000 0.0000 52110.5770 -109198.3812 299.4802 -161308.9582 -108833.6268 299.2951 -97.4652 -72.7506 762877.4520 4.1739 4.1620 PRESSURE: 2490400 -274.216 92.0692 195.371 92.0689 126.14 -170.809 195.371 -170.809 109.316 GPRESSURE: 2490400 -165.783 66.0863 224.968 58.8219 121.768 -177.335 235.272 -174.086 79.6265 PRESSAVG: 2490400 -58.1621 8.83005 7.5473 8.83007 67.4223 24.5182 7.54732 24.5181 19.8347 GPRESSAVG: 2490400 -56.2998 8.09905 6.59532 8.87234 66.1734 24.6534 6.49947 23.0008 19.202 TIMING: 2490400 CPU: 7778.23, 0.0030987/step Wall: 7778.23, 0.0030987/step, 2.16014 hours remaining, 233.867188 MB of memory in use. ENERGY: 2490400 4024.6075 20452.9780 14446.9557 252.3143 -203340.5806 2611.3466 0.0000 0.0000 52253.6605 -109298.7181 300.3025 -161552.3786 -108928.7403 299.0071 -12.9201 11.8706 761880.2330 9.6983 9.6919 PRESSURE: 2490600 66.3028 82.0864 -11.9301 82.0866 -121.38 48.8641 -11.9304 48.8645 -189.919 GPRESSURE: 2490600 -2.42344 54.4999 -34.5501 154.807 -56.6865 113.095 77.9198 -158.002 -120.211 PRESSAVG: 2490600 -42.0555 -19.3332 30.757 -19.3333 57.7137 -7.42347 30.757 -7.42345 5.41652 GPRESSAVG: 2490600 -42.8969 -17.8728 29.623 -20.3854 58.6937 -6.5105 30.3954 -10.374 5.00984 TIMING: 2490600 CPU: 7778.85, 0.00310853/step Wall: 7778.85, 0.00310853/step, 2.16682 hours remaining, 233.867188 MB of memory in use. ENERGY: 2490600 4006.0211 20509.3345 14409.8591 236.7522 -203233.3607 2751.9081 0.0000 0.0000 51894.3877 -109425.0978 298.2378 -161319.4855 -109064.5465 298.8863 -81.6652 -59.7736 762966.6079 7.0249 6.9355 PRESSURE: 2490800 -41.6153 -45.0135 -0.186374 -45.0137 35.4697 -102.809 -0.186703 -102.808 -55.5853 GPRESSURE: 2490800 -12.004 -35.8873 -90.7521 -154.404 37.6185 45.2896 39.7886 33.2064 -14.936 PRESSAVG: 2490800 -33.2568 -3.64382 47.8735 -3.64376 36.3292 45.0982 47.8735 45.0982 3.42349 GPRESSAVG: 2490800 -32.6322 -3.33976 49.6515 -3.12861 34.7245 44.822 47.0702 48.7619 4.63256 TIMING: 2490800 CPU: 7779.47, 0.00310356/step Wall: 7779.47, 0.00310356/step, 2.16318 hours remaining, 233.867188 MB of memory in use. ENERGY: 2490800 3958.3445 20610.9057 14388.7212 233.0094 -203606.8228 3015.5939 0.0000 0.0000 51850.8651 -109549.3830 297.9876 -161400.2481 -109196.5859 298.0356 -20.5770 3.5595 762155.1115 2.1653 2.2416 PRESSURE: 2491000 -245.694 188.284 -79.514 188.284 94.0737 -25.1571 -79.5137 -25.1579 -60.3877 GPRESSURE: 2491000 -166.943 223.967 -200.257 64.5401 137.234 -66.2583 -54.1689 -85.6915 -102.481 PRESSAVG: 2491000 0.10596 39.2675 52.9306 39.2676 -18.2427 -5.64662 52.9305 -5.6466 5.02181 GPRESSAVG: 2491000 0.205256 36.3513 49.7617 39.3887 -18.36 -6.22783 55.3927 -3.81856 4.71963 TIMING: 2491000 CPU: 7780.09, 0.0031033/step Wall: 7780.09, 0.0031033/step, 2.16282 hours remaining, 233.867188 MB of memory in use. ENERGY: 2491000 4041.7807 20521.2392 14380.7444 247.1777 -203684.9538 2909.4650 0.0000 0.0000 52145.8926 -109438.6543 299.6832 -161584.5470 -109074.2876 298.2824 -70.6692 -44.0634 762535.7743 -4.3716 -4.4784 PRESSURE: 2491200 -100.774 -180.038 -48.695 -180.039 -182.347 235.753 -48.6944 235.752 187.772 GPRESSURE: 2491200 -16.0952 -35.8601 2.4954 -169.939 -172.73 260.454 -83.0146 169.08 190.266 PRESSAVG: 2491200 -39.7129 -28.2068 15.0605 -28.2068 10.6927 17.4067 15.0606 17.4068 -21.8449 GPRESSAVG: 2491200 -40.9292 -26.1534 18.2384 -27.7156 12.6132 17.0367 14.2871 15.686 -22.5311 TIMING: 2491200 CPU: 7780.71, 0.00310956/step Wall: 7780.71, 0.00310956/step, 2.16702 hours remaining, 233.867188 MB of memory in use. ENERGY: 2491200 3969.6514 20450.6589 14437.0774 237.2809 -202787.8165 2573.1779 0.0000 0.0000 51847.8348 -109272.1353 297.9702 -161119.9701 -108910.2180 298.6585 -31.7831 0.4801 764916.6344 -16.9550 -16.9490 PRESSURE: 2491400 -119.099 -155.243 -187.65 -155.242 85.1805 231.636 -187.65 231.636 324.276 GPRESSURE: 2491400 -14.3864 -89.2714 -151.611 -138.473 60.3629 231.786 -37.8885 116.98 329.833 PRESSAVG: 2491400 18.9612 -9.6481 42.2118 -9.64808 -23.9813 17.35 42.2118 17.35 11.4245 GPRESSAVG: 2491400 20.3274 -9.12591 40.9685 -8.63155 -24.7003 17.4805 41.9056 17.6957 10.6502 TIMING: 2491400 CPU: 7781.34, 0.00311392/step Wall: 7781.34, 0.00311392/step, 2.16988 hours remaining, 233.867188 MB of memory in use. ENERGY: 2491400 3915.9165 20536.0058 14481.9803 232.4907 -202855.9345 2441.5010 0.0000 0.0000 52058.4642 -109189.5761 299.1807 -161248.0403 -108824.1281 298.5430 96.7858 125.2697 762639.4571 2.1348 2.0924 PRESSURE: 2491600 133.161 -78.9136 39.0437 -78.9129 -140.223 -104.145 39.0448 -104.144 -48.4907 GPRESSURE: 2491600 182.037 -4.22682 13.2342 51.8288 -59.6326 -34.922 -29.7086 -24.9578 -91.082 PRESSAVG: 2491600 -0.0935686 -2.78384 -15.4555 -2.78383 -7.57327 -19.4291 -15.4555 -19.429 -43.616 GPRESSAVG: 2491600 0.0410707 -2.63654 -15.2508 -2.8678 -8.24911 -20.1624 -16.7039 -21.1891 -42.8788 TIMING: 2491600 CPU: 7781.96, 0.00310668/step Wall: 7781.96, 0.00310668/step, 2.16466 hours remaining, 233.867188 MB of memory in use. ENERGY: 2491600 3965.1462 20533.1034 14348.0123 253.6485 -202774.6454 2430.1486 0.0000 0.0000 51997.5583 -109247.0281 298.8307 -161244.5864 -108885.1026 298.7966 -18.5175 10.4409 762879.1938 -17.0943 -17.0289 PRESSURE: 2491800 -80.8106 -111.522 25.7533 -111.522 112.239 -48.1532 25.7531 -48.153 218.747 GPRESSURE: 2491800 47.7206 -217.223 89.6622 -93.7708 41.7545 -65.4898 -4.19942 58.958 249.509 PRESSAVG: 2491800 38.1882 20.2644 -56.0461 20.2644 -17.3267 0.752865 -56.0461 0.752856 6.75344 GPRESSAVG: 2491800 38.2918 21.0159 -56.4055 18.6554 -17.2273 0.678534 -56.409 2.93323 6.99122 TIMING: 2491800 CPU: 7782.58, 0.00312694/step Wall: 7782.58, 0.00312695/step, 2.17861 hours remaining, 233.867188 MB of memory in use. ENERGY: 2491800 3962.2509 20677.1324 14362.3226 237.8395 -203114.3542 2905.7707 0.0000 0.0000 51779.1449 -109189.8932 297.5755 -160969.0381 -108835.7675 298.7007 83.3918 112.9948 762568.6384 9.2050 9.3519 PRESSURE: 2492000 -419.176 8.32133 68.7416 8.32142 -296.63 -146.047 68.7418 -146.047 -35.3172 GPRESSURE: 2492000 -372.238 -18.6202 56.3585 -59.0931 -233.268 -62.6248 136.495 -164.845 -45.8851 PRESSAVG: 2492000 -16.9233 14.5735 10.9697 14.5735 10.078 -11.4467 10.9697 -11.4466 -12.7739 GPRESSAVG: 2492000 -17.7529 12.1375 10.2562 13.6103 11.0568 -10.3086 12.1067 -10.5305 -13.2386 TIMING: 2492000 CPU: 7783.21, 0.00311948/step Wall: 7783.21, 0.00311948/step, 2.17324 hours remaining, 233.867188 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: 2492000 3955.1566 20571.9431 14405.4778 241.1265 -202885.9558 2538.8158 0.0000 0.0000 52082.1014 -109091.3345 299.3166 -161173.4360 -108740.1047 298.8270 -250.3743 -217.1302 762625.7239 -6.5397 -6.6449 PRESSURE: 2492200 271.071 -6.80233 -44.3315 -6.80124 280.84 -113.606 -44.3314 -113.606 156.608 GPRESSURE: 2492200 369.899 86.754 -11.4541 -83.1054 271.798 -119.317 6.94733 -186.815 125.778 PRESSAVG: 2492200 -5.96954 2.28664 -13.232 2.2867 9.18368 -12.4589 -13.232 -12.4589 -3.99232 GPRESSAVG: 2492200 -6.46486 1.58798 -12.5222 2.93376 9.52452 -12.0559 -11.9437 -15.2316 -3.27726 TIMING: 2492200 CPU: 7783.83, 0.00310005/step Wall: 7783.83, 0.00310005/step, 2.15953 hours remaining, 233.867188 MB of memory in use. ENERGY: 2492200 3947.6703 20622.2722 14364.4749 250.9801 -202957.4855 2627.1643 0.0000 0.0000 52102.5464 -109042.3772 299.4341 -161144.9236 -108684.1223 299.4720 236.1728 255.8249 762597.6507 -0.2594 -0.0725 LDB: ============= START OF LOAD BALANCING ============== 7796.31 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7796.31 LDB: =============== DONE WITH MIGRATION ================ 7796.31 LDB: ============= START OF LOAD BALANCING ============== 7796.62 LDB: Largest compute 7041 load 0.029566 is 15.1% of average load 0.195280 LDB: Average compute 0.004401 is 2.3% of average load 0.195280 LDB: TIME 7796.62 LOAD: AVG 0.19528 MAX 0.217961 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.309 MB LDB: TIME 7796.62 LOAD: AVG 0.19528 MAX 0.217961 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.324 MB LDB: TIME 7796.62 LOAD: AVG 0.19528 MAX 0.21774 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.324 MB LDB: ============== END OF LOAD BALANCING =============== 7796.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7796.63 PRESSURE: 2492400 141.002 71.8717 -194.834 71.8715 306.224 -24.4668 -194.834 -24.4668 476.473 GPRESSURE: 2492400 282.217 60.7576 -178.045 95.3802 274.589 48.8436 -228.93 11.8811 478.985 PRESSAVG: 2492400 -58.9161 -24.771 -40.7863 -24.771 30.014 -8.10889 -40.7863 -8.10892 -2.3191 GPRESSAVG: 2492400 -58.8193 -24.3739 -41.0404 -21.8205 29.9266 -8.29275 -41.0729 -2.98325 -1.80683 TIMING: 2492400 CPU: 7784.46, 0.00316593/step Wall: 7784.46, 0.00316593/step, 2.20524 hours remaining, 234.050781 MB of memory in use. ENERGY: 2492400 3955.3742 20563.0970 14453.1733 257.3544 -203271.1742 2906.9037 0.0000 0.0000 52180.0947 -108955.1769 299.8797 -161135.2717 -108594.8628 299.6140 307.8998 345.2636 760151.8893 -10.4071 -10.2332 PRESSURE: 2492600 -119.881 -103.297 -69.6373 -103.297 247.384 45.7197 -69.6381 45.7201 -114.258 GPRESSURE: 2492600 -84.3295 -90.1248 -183.466 -50.4589 264.426 17.6888 85.1067 13.4673 -84.0658 PRESSAVG: 2492600 -12.2507 -12.0633 51.4159 -12.0633 -1.44371 -31.0961 51.4159 -31.0961 -26.2879 GPRESSAVG: 2492600 -12.2672 -11.9799 52.2226 -14.2448 -1.294 -31.7517 49.103 -34.585 -26.3062 TIMING: 2492600 CPU: 7785.08, 0.00309618/step Wall: 7785.08, 0.00309618/step, 2.15649 hours remaining, 234.050781 MB of memory in use. ENERGY: 2492600 4075.1326 20559.9127 14419.8626 251.3094 -203278.6182 2944.8885 0.0000 0.0000 52065.3210 -108962.1913 299.2201 -161027.5123 -108607.8191 299.9060 4.4149 32.0104 763416.7107 -13.3274 -13.2891 PRESSURE: 2492800 -149.253 -48.6291 230.598 -48.6286 -136.319 134.527 230.599 134.525 17.3249 GPRESSURE: 2492800 -122.518 -11.3198 195.889 -28.1697 -59.2242 106.803 373.935 157.471 -22.8381 PRESSAVG: 2492800 0.394532 -5.033 -4.32328 -5.03299 13.8691 23.2386 -4.32332 23.2386 24.0612 GPRESSAVG: 2492800 1.4973 -2.72 -5.0453 -3.96268 13.7915 24.3026 -1.79772 22.145 23.1889 TIMING: 2492800 CPU: 7785.7, 0.00310745/step Wall: 7785.7, 0.00310745/step, 2.16417 hours remaining, 234.050781 MB of memory in use. ENERGY: 2492800 3988.2666 20413.4100 14407.3850 249.5273 -202616.4420 2364.2711 0.0000 0.0000 52260.0132 -108933.5687 300.3390 -161193.5819 -108563.2228 299.2715 -89.4158 -68.1934 764769.9145 12.7749 12.8259 PRESSURE: 2493000 177.636 111.492 -185.294 111.493 -89.3122 32.7618 -185.294 32.7623 131.664 GPRESSURE: 2493000 160.258 23.2133 -78.7949 86.0186 -20.8427 -81.7267 -179.201 -114.821 175.505 PRESSAVG: 2493000 -7.87872 17.9562 -26.704 17.9562 -17.786 40.2872 -26.7039 40.2872 10.4554 GPRESSAVG: 2493000 -9.79497 17.2396 -25.9647 15.0304 -16.7026 38.3221 -27.3242 40.415 11.2714 TIMING: 2493000 CPU: 7786.32, 0.00309702/step Wall: 7786.32, 0.00309702/step, 2.15673 hours remaining, 234.050781 MB of memory in use. ENERGY: 2493000 3904.6804 20559.5266 14393.0154 273.7988 -203719.0461 3162.6823 0.0000 0.0000 52189.5221 -109235.8205 299.9339 -161425.3426 -108867.5338 299.4146 73.3295 104.9737 762803.8163 -5.0698 -5.0754 PRESSURE: 2493200 -79.3928 -204.072 71.1681 -204.072 183.914 26.7085 71.1685 26.7074 90.228 GPRESSURE: 2493200 55.0936 -159.191 -15.1676 -130.656 172.35 118.757 78.5689 48.6785 53.9961 PRESSAVG: 2493200 -2.07476 -18.3674 0.0439932 -18.3674 -7.06347 40.7898 0.0439045 40.7898 5.86181 GPRESSAVG: 2493200 -1.95634 -20.3841 -0.379057 -16.5182 -6.55555 42.9052 -0.0218929 43.7849 4.98321 TIMING: 2493200 CPU: 7786.94, 0.00311022/step Wall: 7786.94, 0.00311022/step, 2.16575 hours remaining, 234.050781 MB of memory in use. ENERGY: 2493200 3954.3419 20501.2301 14343.4628 234.8309 -202771.2398 2495.7419 0.0000 0.0000 52097.7383 -109143.8940 299.4064 -161241.6323 -108777.4477 299.0974 64.9164 93.8132 763772.5799 -1.0921 -1.1762 PRESSURE: 2493400 -392.418 -118.077 21.4948 -118.077 -150.976 220.351 21.494 220.35 -192.375 GPRESSURE: 2493400 -358.186 -148.003 -65.273 -152.031 -117.611 248.875 28.3707 177.388 -154.174 PRESSAVG: 2493400 -9.24147 -15.1541 4.75984 -15.1541 -10.5311 22.6901 4.75994 22.6901 -5.40498 GPRESSAVG: 2493400 -8.10391 -14.3316 5.82842 -15.3596 -11.6771 22.4229 3.56999 19.2241 -5.05709 TIMING: 2493400 CPU: 7787.57, 0.00311987/step Wall: 7787.57, 0.00311987/step, 2.1723 hours remaining, 234.050781 MB of memory in use. ENERGY: 2493400 3895.0384 20458.2874 14414.2942 242.2705 -202681.8200 2489.5153 0.0000 0.0000 52121.8956 -109060.5185 299.5453 -161182.4141 -108689.6423 299.0497 -245.2562 -209.9906 764117.6104 -8.3925 -8.2794 PRESSURE: 2493600 -405.944 -116.122 48.889 -116.123 -430.364 232.176 48.8896 232.175 -38.6806 GPRESSURE: 2493600 -306.744 -7.99887 134.826 -105.263 -435.624 256.925 -25.0153 198.56 -64.5324 PRESSAVG: 2493600 -24.6965 1.9245 9.63264 1.9245 -3.75955 20.862 9.63261 20.862 6.30182 GPRESSAVG: 2493600 -24.5965 3.56943 8.16213 2.35466 -4.26861 18.5844 10.211 21.7703 7.30502 TIMING: 2493600 CPU: 7788.19, 0.0031314/step Wall: 7788.19, 0.0031314/step, 2.18015 hours remaining, 234.050781 MB of memory in use. ENERGY: 2493600 3943.0230 20470.8245 14382.3497 245.8684 -202535.8128 2449.0631 0.0000 0.0000 52068.2144 -108976.4697 299.2367 -161044.6841 -108603.6586 299.6051 -291.6630 -268.9667 764482.7667 -7.3848 -7.1867 PRESSURE: 2493800 -71.4515 -2.44079 -36.3048 -2.44059 120.903 3.42296 -36.3052 3.42266 220.912 GPRESSURE: 2493800 -70.9075 13.1945 -13.1301 -62.8723 174.305 -21.134 -14.4559 -104.151 241.46 PRESSAVG: 2493800 20.6255 11.7337 -63.1763 11.7336 0.68199 63.5694 -63.1762 63.5694 4.52859 GPRESSAVG: 2493800 20.3573 10.3406 -63.7127 9.86212 1.09473 64.4765 -62.074 63.8653 3.7682 TIMING: 2493800 CPU: 7788.81, 0.00309844/step Wall: 7788.81, 0.00309844/step, 2.15703 hours remaining, 234.050781 MB of memory in use. ENERGY: 2493800 3945.7295 20437.8652 14316.2099 250.3187 -203010.9476 2695.5792 0.0000 0.0000 52329.8020 -109035.4430 300.7401 -161365.2450 -108672.2337 299.2643 90.1212 114.9526 763045.4755 8.6120 8.4067 PRESSURE: 2494000 395.908 42.8965 -152.116 42.8964 122.985 -53.4015 -152.117 -53.4018 182.42 GPRESSURE: 2494000 426.718 67.1773 -122.649 36.9003 189.106 58.7947 -97.6681 -95.3124 207.624 PRESSAVG: 2494000 -14.1292 -44.9761 -29.5752 -44.976 21.4311 0.7598 -29.5753 0.759765 -31.3009 GPRESSAVG: 2494000 -14.0103 -43.3837 -27.8741 -41.8108 21.8588 0.0327896 -30.667 0.00177835 -31.4175 TIMING: 2494000 CPU: 7789.43, 0.00310113/step Wall: 7789.43, 0.00310113/step, 2.15873 hours remaining, 234.050781 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: 2494000 3982.4466 20442.5323 14428.1590 275.4418 -203141.3003 3081.5909 0.0000 0.0000 51925.3162 -109005.8134 298.4155 -160931.1296 -108640.4950 299.3765 233.7708 274.4823 762646.4658 -7.9997 -7.8564 PRESSURE: 2494200 -152.549 -207.109 -62.1506 -207.108 92.9173 11.9808 -62.1498 11.9807 94.3031 GPRESSURE: 2494200 -20.759 -189.894 -51.3962 -108.17 87.4915 1.41352 -88.7542 -29.8624 56.0706 PRESSAVG: 2494200 -1.20095 37.1552 -26.928 37.1552 14.4386 6.47512 -26.928 6.47509 17.5229 GPRESSAVG: 2494200 -1.41936 36.2638 -28.0329 35.7991 14.1741 8.14363 -27.125 6.01334 17.533 TIMING: 2494200 CPU: 7790.05, 0.00309794/step Wall: 7790.05, 0.00309794/step, 2.15634 hours remaining, 234.050781 MB of memory in use. ENERGY: 2494200 4001.8510 20531.4339 14393.5614 237.7770 -203079.6870 2575.6123 0.0000 0.0000 52322.5673 -109016.8840 300.6985 -161339.4513 -108666.6162 299.4653 11.5571 40.9343 762979.8647 10.2535 10.0959 PRESSURE: 2494400 -201.865 60.8959 100.48 60.8952 -79.8905 -89.9135 100.48 -89.9141 -191.615 GPRESSURE: 2494400 -183.703 140.616 55.9124 147.028 -66.1482 -39.7366 100.925 -221.936 -140.057 PRESSAVG: 2494400 81.1097 -12.874 -64.6108 -12.874 -102.109 25.9745 -64.6109 25.9744 19.4151 GPRESSAVG: 2494400 81.7785 -12.226 -64.295 -10.9105 -102.597 23.714 -64.313 27.3669 19.3666 TIMING: 2494400 CPU: 7790.68, 0.0031098/step Wall: 7790.68, 0.00310979/step, 2.16442 hours remaining, 234.050781 MB of memory in use. ENERGY: 2494400 3946.3941 20580.0887 14420.0668 248.6232 -202744.7205 2504.3737 0.0000 0.0000 51987.9267 -109057.2473 298.7753 -161045.1741 -108696.0560 299.1125 -157.7904 -129.9693 765470.4324 -0.5280 -0.4838 PRESSURE: 2494600 -305.967 -1.44134 249.542 -1.44095 427.695 335.076 249.543 335.076 204.496 GPRESSURE: 2494600 -248.015 100.151 316.553 -31.8341 414.837 388.023 249.273 317.367 240.864 PRESSAVG: 2494600 -7.20327 58.8694 -0.205137 58.8694 59.2467 22.704 -0.205121 22.704 3.24432 GPRESSAVG: 2494600 -8.22147 56.7845 1.14386 57.9782 60.7731 24.8066 -0.682519 21.4729 3.12796 TIMING: 2494600 CPU: 7791.3, 0.00310058/step Wall: 7791.3, 0.00310058/step, 2.15783 hours remaining, 234.050781 MB of memory in use. ENERGY: 2494600 3951.6885 20444.3127 14428.1722 260.2326 -203139.1444 2782.4640 0.0000 0.0000 51897.2555 -109375.0189 298.2542 -161272.2744 -109004.0410 299.1417 108.7413 135.8955 763039.9710 18.4292 18.5599 PRESSURE: 2494800 -264.568 165.237 131.114 165.238 -33.2285 -205.422 131.115 -205.421 -54.2078 GPRESSURE: 2494800 -246.652 139.645 112.345 175.384 73.8566 -199.788 33.0505 -99.8725 -99.9055 PRESSAVG: 2494800 -31.3203 17.1938 -13.2749 17.1937 8.70765 -4.60035 -13.2749 -4.60034 -9.43405 GPRESSAVG: 2494800 -30.2782 18.7483 -14.7514 17.0666 6.57291 -4.31048 -14.1629 -5.19003 -8.69603 TIMING: 2494800 CPU: 7791.91, 0.00309571/step Wall: 7791.91, 0.00309571/step, 2.15427 hours remaining, 234.050781 MB of memory in use. ENERGY: 2494800 3959.1249 20441.6405 14318.5321 248.9905 -203133.9169 2750.2573 0.0000 0.0000 51893.3949 -109521.9767 298.2321 -161415.3716 -109157.9128 298.0298 -117.3348 -90.9003 765076.9999 -10.6822 -10.8005 PRESSURE: 2495000 -96.0083 -178.756 -75.4792 -178.755 -422.858 -111.445 -75.4787 -111.445 -137.463 GPRESSURE: 2495000 -137.649 -161.011 -131.805 -87.0559 -378.264 -108.892 -79.2959 -88.4681 -69.9329 PRESSAVG: 2495000 2.26382 19.1054 -66.0572 19.1055 20.0653 -0.840122 -66.0572 -0.840145 -25.1866 GPRESSAVG: 2495000 1.82474 17.7649 -66.5917 19.1046 20.6387 -2.18787 -64.5031 0.975104 -25.4011 TIMING: 2495000 CPU: 7792.53, 0.00308311/step Wall: 7792.53, 0.00308311/step, 2.14533 hours remaining, 234.050781 MB of memory in use. ENERGY: 2495000 3945.9204 20573.8748 14321.7402 260.4805 -202702.8522 2494.2491 0.0000 0.0000 51597.1990 -109509.3882 296.5298 -161106.5872 -109166.7845 298.0911 -218.7766 -195.2818 763895.6647 -0.9525 -0.9792 PRESSURE: 2495200 -351.153 -189.494 -49.6919 -189.493 -41.2967 -115.374 -49.6922 -115.375 -624.761 GPRESSURE: 2495200 -224.244 -77.9981 -69.0455 -134.769 -106.182 -95.4186 90.3263 -124.237 -597.99 PRESSAVG: 2495200 -12.8588 -35.1741 -50.5123 -35.1741 -50.6916 -48.2273 -50.5123 -48.2272 -17.1377 GPRESSAVG: 2495200 -14.6259 -34.7599 -50.3936 -34.684 -48.1009 -49.025 -50.9787 -50.0236 -16.7309 TIMING: 2495200 CPU: 7793.15, 0.003102/step Wall: 7793.15, 0.003102/step, 2.1583 hours remaining, 234.050781 MB of memory in use. ENERGY: 2495200 3942.5111 20406.9848 14406.7308 249.4737 -202801.7977 2509.9898 0.0000 0.0000 51950.1554 -109335.9524 298.5583 -161286.1077 -108970.1893 298.5755 -339.0701 -309.4719 764869.9368 -26.8960 -26.4859 PRESSURE: 2495400 22.5076 44.3855 -111.567 44.3853 -103.073 -89.9959 -111.567 -89.996 270.904 GPRESSURE: 2495400 119.488 -100.259 -30.8064 87.3442 -38.4966 -125.377 -3.55164 -68.0773 192.879 PRESSAVG: 2495400 -21.6873 15.157 10.6864 15.1571 27.719 -3.86066 10.6864 -3.86068 6.27993 GPRESSAVG: 2495400 -19.149 15.9949 10.7534 12.9774 25.4985 -1.23205 7.90135 -5.0266 5.70403 TIMING: 2495400 CPU: 7793.77, 0.00309763/step Wall: 7793.77, 0.00309763/step, 2.15509 hours remaining, 234.050781 MB of memory in use. ENERGY: 2495400 3968.8374 20197.0556 14356.7848 258.9294 -203226.4241 2962.3007 0.0000 0.0000 52080.2077 -109402.3086 299.3057 -161482.5162 -109021.6305 298.7165 63.4462 91.2901 763841.9265 4.1039 4.0178 PRESSURE: 2495600 135.346 -144.349 43.8649 -144.349 -127.345 -59.2124 43.8661 -59.2124 -272.54 GPRESSURE: 2495600 102.253 -102.024 -11.4466 -235.644 -93.3764 -82.4093 -11.4151 -41.2352 -208.854 PRESSAVG: 2495600 -61.396 -31.7573 -16.2931 -31.7573 24.1073 1.18806 -16.2931 1.18804 -26.8008 GPRESSAVG: 2495600 -62.4474 -31.2798 -16.0721 -30.2181 23.5006 -1.32831 -15.1146 4.43849 -25.0704 TIMING: 2495600 CPU: 7794.39, 0.0031001/step Wall: 7794.39, 0.0031001/step, 2.15663 hours remaining, 234.050781 MB of memory in use. ENERGY: 2495600 3999.1218 20537.6082 14426.0313 235.9416 -202702.6588 2543.2198 0.0000 0.0000 51557.0998 -109403.6363 296.2994 -160960.7361 -109052.2969 298.1757 -88.1795 -66.6590 762857.0118 -21.3632 -21.3390 PRESSURE: 2495800 125.754 244.62 -125.387 244.619 453.292 -59.3153 -125.386 -59.3161 -1.20031 GPRESSURE: 2495800 116.812 268.695 -157.247 255.742 438.255 -71.8195 -25.0454 -0.241307 104.743 PRESSAVG: 2495800 -7.26338 5.42447 34.4033 5.4245 -12.46 10.6903 34.4033 10.6903 -2.87049 GPRESSAVG: 2495800 -6.80297 6.23144 34.1088 3.49297 -11.3791 11.2172 36.0183 11.7829 -4.09967 TIMING: 2495800 CPU: 7795.01, 0.00309584/step Wall: 7795.01, 0.00309584/step, 2.1535 hours remaining, 234.050781 MB of memory in use. ENERGY: 2495800 3879.3797 20493.2192 14342.7698 256.3047 -203395.8258 3042.2871 0.0000 0.0000 51933.8679 -109447.9975 298.4647 -161381.8654 -109091.2194 298.0426 192.6152 219.9368 762611.5677 -7.5313 -7.4272 PRESSURE: 2496000 200.765 27.5402 62.0465 27.5405 -207.283 -159.603 62.0468 -159.603 308.92 GPRESSURE: 2496000 239.619 38.3548 66.5606 107.535 -149.735 -176.093 109.886 -149.674 299.647 PRESSAVG: 2496000 -16.776 -3.96862 -21.5985 -3.9687 19.3527 18.9072 -21.5986 18.9073 12.2034 GPRESSAVG: 2496000 -16.843 -5.92655 -20.9403 -1.96095 19.3144 19.4085 -22.9395 17.4219 11.8867 TIMING: 2496000 CPU: 7795.63, 0.00310416/step Wall: 7795.63, 0.00310416/step, 2.15912 hours remaining, 234.050781 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: 2496000 3944.4212 20411.9386 14375.2842 237.8217 -202978.5378 2696.2522 0.0000 0.0000 51879.8549 -109432.9651 298.1542 -161312.8200 -109070.3634 297.8774 100.8008 129.8436 763603.7838 4.9267 4.7860 PRESSURE: 2496200 271.681 73.4038 47.0387 73.4033 121.431 -77.3661 47.0382 -77.3663 -68.1915 GPRESSURE: 2496200 236.584 7.17552 14.5291 30.9992 204.516 -102.776 -2.59511 -97.5478 -52.5424 PRESSAVG: 2496200 -48.3252 9.34812 -27.5011 9.34812 57.3124 -56.5985 -27.5011 -56.5984 4.52845 GPRESSAVG: 2496200 -48.752 9.88272 -28.0533 8.09771 57.6684 -57.2653 -26.855 -57.1697 4.34778 TIMING: 2496200 CPU: 7796.25, 0.00311154/step Wall: 7796.25, 0.00311154/step, 2.16408 hours remaining, 234.050781 MB of memory in use. ENERGY: 2496200 3889.6392 20336.9938 14337.6167 247.1655 -203238.4001 2733.7295 0.0000 0.0000 51794.1287 -109899.1267 297.6616 -161693.2553 -109538.9812 297.9303 108.3066 129.5189 761777.1499 4.5052 4.4214 LDB: ============= START OF LOAD BALANCING ============== 7808.73 LDB: ============== END OF LOAD BALANCING =============== 7808.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7808.73 LDB: ============= START OF LOAD BALANCING ============== 7809.04 LDB: Largest compute 7052 load 0.028747 is 14.7% of average load 0.195220 LDB: Average compute 0.004395 is 2.3% of average load 0.195220 LDB: TIME 7809.04 LOAD: AVG 0.19522 MAX 0.216363 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.051 MB LDB: TIME 7809.04 LOAD: AVG 0.19522 MAX 0.216363 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.25 MB LDB: TIME 7809.04 LOAD: AVG 0.19522 MAX 0.216363 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.25 MB LDB: ============== END OF LOAD BALANCING =============== 7809.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7809.05 PRESSURE: 2496400 240.103 -96.9719 -245.974 -96.9722 61.929 138.223 -245.975 138.223 -59.3616 GPRESSURE: 2496400 333.349 -64.0558 -239.5 -26.5085 153.98 107.206 -163.376 85.8326 -152.706 PRESSAVG: 2496400 -27.1254 26.7427 -18.1053 26.7427 23.9502 26.3879 -18.1053 26.3879 4.64782 GPRESSAVG: 2496400 -26.7857 26.4939 -17.8214 27.9841 25.3978 26.8529 -18.5305 27.6467 3.79273 TIMING: 2496400 CPU: 7796.89, 0.00316194/step Wall: 7796.89, 0.00316194/step, 2.19895 hours remaining, 233.539062 MB of memory in use. ENERGY: 2496400 3896.4496 20394.4028 14352.4693 252.1315 -203520.9889 2935.2482 0.0000 0.0000 51842.9540 -109847.3336 297.9422 -161690.2876 -109493.5982 297.5515 80.8902 111.5409 761696.8197 0.4909 0.8016 PRESSURE: 2496600 18.6618 84.8846 -1.81234 84.8845 121.895 291.264 -1.8124 291.262 337.722 GPRESSURE: 2496600 75.3725 -13.3055 -65.0799 -7.56258 123.376 210.281 -36.8378 293.693 356.607 PRESSAVG: 2496600 -10.8444 -2.7682 -56.7631 -2.76818 -37.6042 5.29334 -56.7631 5.29333 -4.96584 GPRESSAVG: 2496600 -9.64286 -2.85611 -57.5045 -4.21048 -39.8809 4.73943 -54.4386 3.00477 -3.71714 TIMING: 2496600 CPU: 7797.5, 0.00308922/step Wall: 7797.5, 0.00308922/step, 2.14821 hours remaining, 233.539062 MB of memory in use. ENERGY: 2496600 3910.8350 20285.2609 14316.7361 249.4230 -203165.5604 2718.9801 0.0000 0.0000 51838.9930 -109845.3323 297.9194 -161684.3253 -109486.1222 297.8880 159.4261 185.1183 762877.4335 -17.8048 -17.7470 PRESSURE: 2496800 180.057 86.0515 -54.6929 86.0512 323.628 -66.8001 -54.6917 -66.7992 358.586 GPRESSURE: 2496800 190.319 143.209 -134.046 30.0303 357.095 -147.486 34.2911 47.7759 404.854 PRESSAVG: 2496800 19.8666 -13.0917 41.2285 -13.0918 -21.1691 33.5514 41.2284 33.5513 19.0925 GPRESSAVG: 2496800 18.5961 -11.8935 40.0266 -12.4904 -19.1802 34.6188 40.1925 35.446 18.8845 TIMING: 2496800 CPU: 7798.12, 0.00307867/step Wall: 7798.12, 0.00307867/step, 2.1407 hours remaining, 233.539062 MB of memory in use. ENERGY: 2496800 3898.7091 20204.5486 14381.4389 278.5930 -203571.8000 2890.3004 0.0000 0.0000 51841.0609 -110077.1490 297.9313 -161918.2099 -109718.1100 297.6461 287.4237 317.4226 760752.2395 5.9300 6.1001 PRESSURE: 2497000 -331.676 65.3243 36.0009 65.3247 -270.906 -72.7441 36 -72.7456 -638.599 GPRESSURE: 2497000 -263.735 174.28 62.9822 127.859 -255.676 -82.2077 -36.3145 -137.114 -627.921 PRESSAVG: 2497000 30.8782 -7.58756 4.961 -7.58753 8.01182 26.4743 4.96098 26.4743 1.44249 GPRESSAVG: 2497000 31.8419 -6.70483 4.588 -7.70807 7.5864 24.4691 5.95172 24.1135 0.959891 TIMING: 2497000 CPU: 7798.74, 0.00310091/step Wall: 7798.74, 0.00310091/step, 2.15599 hours remaining, 233.539062 MB of memory in use. ENERGY: 2497000 3974.1721 20314.5235 14348.0431 240.8658 -203163.1174 2461.3716 0.0000 0.0000 51961.5152 -109862.6261 298.6235 -161824.1413 -109503.9458 297.6092 -413.7272 -382.4439 761307.5104 13.4442 13.4627 PRESSURE: 2497200 -3.96115 102.064 70.0974 102.064 264.702 -138.697 70.0975 -138.697 -68.419 GPRESSURE: 2497200 79.996 29.0695 7.82428 97.4487 254.274 -163.233 135.179 11.53 -72.2626 PRESSAVG: 2497200 -71.4756 2.14082 17.6017 2.14078 67.8101 -25.9328 17.6017 -25.9328 18.1376 GPRESSAVG: 2497200 -72.2744 -1.52523 17.6565 3.36613 67.84 -24.3834 15.1687 -24.8189 17.7763 TIMING: 2497200 CPU: 7799.35, 0.00306796/step Wall: 7799.35, 0.00306795/step, 2.13291 hours remaining, 233.539062 MB of memory in use. ENERGY: 2497200 4064.5099 20420.8358 14367.1420 277.1499 -203563.4434 3017.0256 0.0000 0.0000 51737.2161 -109679.5640 297.3345 -161416.7802 -109323.8148 298.1573 64.1072 87.3359 761880.5390 4.8241 4.4473 PRESSURE: 2497400 -207.873 -236.896 134.218 -236.896 364.641 -173.164 134.217 -173.165 -376.777 GPRESSURE: 2497400 -89.7799 -100.727 92.5319 -222.897 282.805 -90.3699 163.47 -215.749 -328.387 PRESSAVG: 2497400 -30.1 1.61632 -11.0863 1.61635 22.522 -0.955823 -11.0862 -0.955834 30.5842 GPRESSAVG: 2497400 -30.8672 3.89169 -8.32225 0.688071 22.2785 -0.466118 -10.7575 -0.486234 31.5452 TIMING: 2497400 CPU: 7799.97, 0.00306023/step Wall: 7799.97, 0.00306023/step, 2.12737 hours remaining, 233.539062 MB of memory in use. ENERGY: 2497400 3989.7068 20437.0427 14436.6566 227.5887 -203348.1253 2963.2155 0.0000 0.0000 51741.8177 -109552.0974 297.3609 -161293.9151 -109191.7239 297.8331 -73.3363 -45.1207 763391.0751 7.6687 7.6522 PRESSURE: 2497600 -190.489 -105.871 224.209 -105.871 0.228302 182.75 224.209 182.75 -449.967 GPRESSURE: 2497600 -170.956 10.3087 118.748 -183.213 50.7372 168.736 190.861 133.083 -428.991 PRESSAVG: 2497600 19.5448 -6.47914 27.9644 -6.4791 0.678448 25.1212 27.9645 25.1213 2.91797 GPRESSAVG: 2497600 19.779 -7.05468 26.9232 -5.94055 0.105877 23.962 27.2341 24.6075 2.9313 TIMING: 2497600 CPU: 7800.58, 0.00308415/step Wall: 7800.58, 0.00308415/step, 2.14382 hours remaining, 233.539062 MB of memory in use. ENERGY: 2497600 4014.6522 20406.4499 14385.6790 257.2943 -203005.1413 2633.9026 0.0000 0.0000 51808.6964 -109498.4670 297.7453 -161307.1633 -109130.7017 298.1085 -213.4093 -183.0699 764207.3748 7.7137 7.6054 PRESSURE: 2497800 95.6792 -82.0026 -91.4412 -82.003 277.551 14.0345 -91.4418 14.0341 -160.574 GPRESSURE: 2497800 110.922 -115.985 -0.969674 -71.974 312.046 57.1848 -76.6645 20.105 -124.362 PRESSAVG: 2497800 -34.8095 12.7288 10.72 12.7287 31.7382 74.6769 10.72 74.6768 -9.2086 GPRESSAVG: 2497800 -34.8118 12.4081 11.1498 12.5915 32.6174 76.0013 11.5888 74.0081 -9.72582 TIMING: 2497800 CPU: 7801.2, 0.00309309/step Wall: 7801.2, 0.00309309/step, 2.14987 hours remaining, 233.539062 MB of memory in use. ENERGY: 2497800 3956.9457 20613.4152 14435.2751 231.1884 -202886.9142 2528.0922 0.0000 0.0000 51644.2710 -109477.7265 296.8003 -161121.9975 -109118.9331 298.4195 70.8854 99.5354 762370.4115 -4.0933 -3.9734 PRESSURE: 2498000 354.282 39.7782 -101.416 39.7773 544.783 142.981 -101.417 142.982 -299.553 GPRESSURE: 2498000 437.141 -93.6098 -154.215 3.94432 539.724 134.928 -142.624 143.879 -323.975 PRESSAVG: 2498000 -38.2811 1.43167 32.6799 1.43169 38.7504 9.16452 32.6799 9.16453 6.8124 GPRESSAVG: 2498000 -38.5099 0.39609 30.614 0.998992 38.1248 8.58392 34.4834 11.7717 7.63093 TIMING: 2498000 CPU: 7801.82, 0.00309886/step Wall: 7801.82, 0.00309886/step, 2.15371 hours remaining, 233.539062 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: 2498000 4002.2848 20403.3007 14396.0227 247.1125 -203395.5507 2885.4543 0.0000 0.0000 52070.8781 -109390.4976 299.2521 -161461.3757 -109029.5066 298.6224 199.8372 217.6301 761984.4227 2.4272 2.4153 PRESSURE: 2498200 -174.288 17.2569 265.089 17.2557 -311.21 -218.787 265.09 -218.788 14.3166 GPRESSURE: 2498200 -39.511 12.074 205.031 -32.6488 -370.803 -136.38 227.133 -79.2962 17.5326 PRESSAVG: 2498200 -30.0176 19.1799 49.3302 19.1798 35.4234 -8.08003 49.3303 -8.07995 2.43966 GPRESSAVG: 2498200 -29.5944 20.4429 49.9865 20.492 35.1504 -8.866 48.3098 -11.001 2.52663 TIMING: 2498200 CPU: 7802.44, 0.00309377/step Wall: 7802.44, 0.00309377/step, 2.15 hours remaining, 233.539062 MB of memory in use. ENERGY: 2498200 4017.9444 20303.9018 14446.4332 237.0854 -203136.5186 2741.7278 0.0000 0.0000 52043.5179 -109345.9081 299.0948 -161389.4261 -108983.7631 298.6763 -157.0606 -130.9273 764792.9661 2.6152 2.6942 PRESSURE: 2498400 -160.808 72.899 64.5387 72.8985 22.8535 -19.9435 64.5384 -19.9434 -429.082 GPRESSURE: 2498400 -115.296 19.0413 105.62 107.589 79.9224 18.584 24.4194 -51.9861 -435.762 PRESSAVG: 2498400 18.8763 26.0366 29.8421 26.0367 18.4593 14.0628 29.8421 14.0628 -11.4007 GPRESSAVG: 2498400 17.8744 26.1224 30.8302 26.075 19.3648 14.7532 30.1435 16.4855 -12.2204 TIMING: 2498400 CPU: 7803.06, 0.00308824/step Wall: 7803.06, 0.00308824/step, 2.14598 hours remaining, 233.539062 MB of memory in use. ENERGY: 2498400 4016.7245 20293.6414 14352.0751 239.3722 -203157.7846 2773.7330 0.0000 0.0000 52168.9480 -109313.2904 299.8157 -161482.2384 -108951.3887 298.9058 -189.0122 -157.0451 762918.3812 8.6449 8.3396 PRESSURE: 2498600 -226.273 -282.933 -72.4419 -282.932 27.8955 -62.395 -72.4418 -62.395 156.266 GPRESSURE: 2498600 -207.986 -270.917 -37.7665 -105.614 144.755 10.9096 -56.1037 -79.5028 88.4922 PRESSAVG: 2498600 -76.2662 0.706716 10.552 0.706781 21.6491 0.806099 10.5519 0.806115 2.46753 GPRESSAVG: 2498600 -75.9643 2.073 8.74724 -1.48679 20.5694 1.11894 10.3341 -0.289346 3.47974 TIMING: 2498600 CPU: 7803.68, 0.00310553/step Wall: 7803.68, 0.00310553/step, 2.15782 hours remaining, 233.539062 MB of memory in use. ENERGY: 2498600 3989.7434 20492.5375 14345.0415 232.1975 -202657.8447 2406.7597 0.0000 0.0000 51891.7559 -109299.8092 298.2226 -161191.5651 -108939.7501 298.8798 -14.0372 8.4202 762570.3573 -17.3832 -17.3051 PRESSURE: 2498800 185.901 147.711 -384.116 147.71 -53.3626 -133.428 -384.115 -133.429 458.895 GPRESSURE: 2498800 168.233 104.037 -331.447 -48.3558 61.0247 -110.207 -281.918 -96.2178 425.847 PRESSAVG: 2498800 -54.0341 29.4462 -9.98423 29.4462 60.8378 35.8289 -9.98423 35.8289 4.01263 GPRESSAVG: 2498800 -53.0524 29.6149 -7.08799 30.3329 61.2039 35.9879 -10.0293 35.472 3.0643 TIMING: 2498800 CPU: 7804.3, 0.00309826/step Wall: 7804.3, 0.00309826/step, 2.1526 hours remaining, 233.539062 MB of memory in use. ENERGY: 2498800 3973.8603 20463.5407 14368.5249 237.3367 -203280.5538 2828.5782 0.0000 0.0000 52200.9110 -109207.8022 299.9994 -161408.7132 -108848.9993 298.9027 197.1444 218.3683 763413.3671 3.6054 3.7386 PRESSURE: 2499000 -68.1146 128.666 174.129 128.667 -108.653 -220.237 174.129 -220.238 -147.494 GPRESSURE: 2499000 -89.6834 125.629 121.798 121.937 -68.7 -163.016 162.414 -103.369 -112.364 PRESSAVG: 2499000 36.2316 -5.29647 21.4901 -5.29647 -15.9806 4.74866 21.4901 4.74864 -1.62165 GPRESSAVG: 2499000 35.4423 -6.33911 19.8813 -4.52488 -16.4866 5.67791 22.2811 6.02875 -0.285445 TIMING: 2499000 CPU: 7804.92, 0.00309558/step Wall: 7804.92, 0.00309558/step, 2.15057 hours remaining, 233.539062 MB of memory in use. ENERGY: 2499000 4043.6048 20564.9447 14395.0884 245.4408 -203215.7330 3050.5986 0.0000 0.0000 51845.1307 -109070.9251 297.9547 -160916.0558 -108720.6758 299.0251 -108.0873 -90.2490 763571.3220 6.2098 6.2234 PRESSURE: 2499200 -244.104 -47.7349 150.355 -47.7351 283.225 168.933 150.356 168.933 -53.3806 GPRESSURE: 2499200 -216.735 -21.5929 74.3222 6.60735 266.051 145.078 206.238 223.672 21.4067 PRESSAVG: 2499200 -19.4746 38.7237 20.1939 38.7236 3.96613 21.5518 20.1939 21.5518 -32.4021 GPRESSAVG: 2499200 -19.1229 39.1118 19.8815 38.9044 2.99705 20.2131 20.1205 21.2062 -31.8705 TIMING: 2499200 CPU: 7805.53, 0.00308884/step Wall: 7805.53, 0.00308884/step, 2.14571 hours remaining, 233.539062 MB of memory in use. ENERGY: 2499200 4022.1031 20607.5660 14371.5725 265.3948 -203208.5500 2885.9870 0.0000 0.0000 51810.3966 -109245.5300 297.7551 -161055.9266 -108897.0972 298.8864 -4.7532 23.5742 764536.9399 -15.9702 -15.9988 PRESSURE: 2499400 -250.6 -146.75 29.0483 -146.75 -624.65 -22.7802 29.0476 -22.7784 343.565 GPRESSURE: 2499400 -251.799 -251.396 141.982 -149.24 -506.462 -146.809 -66.7066 72.812 325.532 PRESSAVG: 2499400 -44.7097 -60.1338 11.128 -60.1338 55.2498 46.0395 11.128 46.0395 24.7528 GPRESSAVG: 2499400 -44.8373 -62.0719 13.0432 -60.8244 56.4976 46.259 9.03365 46.23 23.7485 TIMING: 2499400 CPU: 7806.15, 0.00310251/step Wall: 7806.15, 0.00310251/step, 2.15504 hours remaining, 233.539062 MB of memory in use. ENERGY: 2499400 4016.0183 20500.6071 14444.6045 258.1293 -203348.7181 2778.9801 0.0000 0.0000 51657.9187 -109692.4601 296.8788 -161350.3788 -109335.1076 298.3233 -177.2282 -144.2429 763426.7579 11.7643 11.8029 PRESSURE: 2499600 -59.8305 40.6939 -25.7636 40.6941 -43.7942 -152.801 -25.7642 -152.801 209.489 GPRESSURE: 2499600 -36.063 179.037 -79.9276 87.3339 -98.5552 -109.698 -45.4769 -39.4322 345.618 PRESSAVG: 2499600 55.3749 -34.8861 -6.07215 -34.8861 -16.4321 14.6342 -6.07218 14.6342 -45.5381 GPRESSAVG: 2499600 55.2873 -30.6252 -7.3063 -35.7113 -16.859 14.2407 -2.60466 15.2952 -45.0311 TIMING: 2499600 CPU: 7806.77, 0.0030939/step Wall: 7806.77, 0.0030939/step, 2.14889 hours remaining, 233.539062 MB of memory in use. ENERGY: 2499600 4028.4431 20404.7416 14394.4240 260.8879 -203435.8449 2896.6855 0.0000 0.0000 51694.9960 -109755.6667 297.0919 -161450.6627 -109408.9034 297.7790 35.2883 70.3334 761859.1013 -2.1984 -2.2009 PRESSURE: 2499800 -360.478 -86.522 -116.395 -86.522 110.467 19.3696 -116.395 19.37 0.333385 GPRESSURE: 2499800 -262.994 -0.021255 -133.537 -95.5483 123.322 89.9366 53.3508 32.9493 -43.6713 PRESSAVG: 2499800 -10.491 4.15489 -32.4928 4.15483 5.03526 15.5526 -32.4928 15.5526 17.475 GPRESSAVG: 2499800 -10.4712 2.99805 -32.9757 4.25379 4.26044 16.6739 -35.8129 14.7804 17.0014 TIMING: 2499800 CPU: 7807.39, 0.00309606/step Wall: 7807.39, 0.00309606/step, 2.15021 hours remaining, 233.539062 MB of memory in use. ENERGY: 2499800 3932.3363 20402.1297 14381.5496 253.6060 -203254.5571 2551.4377 0.0000 0.0000 51848.2281 -109885.2697 297.9725 -161733.4978 -109515.3159 297.3335 -83.2258 -61.1146 763449.7245 4.0064 3.5969 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2500000 WRITING COORDINATES TO RESTART FILE AT STEP 2500000 FINISHED WRITING RESTART COORDINATES PRESSURE: 2500000 -314.011 8.99939 220.225 8.9986 30.4155 98.8748 220.225 98.8746 78.5392 GPRESSURE: 2500000 -236.966 62.8465 278.049 -46.7232 69.9734 182.238 157.409 99.8112 40.49 PRESSAVG: 2500000 5.1062 28.8218 0.446161 28.8218 21.7315 27.6758 0.446185 27.6758 -10.0918 GPRESSAVG: 2500000 5.8084 28.2366 0.604994 29.773 21.9726 28.4445 0.731327 28.6663 -11.2022 TIMING: 2500000 CPU: 7808.03, 0.00317661/step Wall: 7808.03, 0.00317661/step, 2.20598 hours remaining, 233.539062 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: 2500000 4052.6053 20403.8433 14379.6615 259.8064 -203693.9917 3004.3826 0.0000 0.0000 51799.6736 -109794.0190 297.6934 -161593.6926 -109428.4438 297.7262 -68.3521 -42.1677 763455.0415 5.5820 5.5263 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2500000 WRITING VELOCITIES TO RESTART FILE AT STEP 2500000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2500200 186.566 -54.7981 -159.157 -54.7991 -581.765 27.094 -159.156 27.0923 -28.4937 GPRESSURE: 2500200 154.477 -50.2039 -118.798 -127.866 -478.199 154.886 -187.278 8.2798 -33.7391 PRESSAVG: 2500200 -24.7346 -24.3059 -22.4563 -24.3058 46.6304 11.1413 -22.4563 11.1413 -35.4482 GPRESSAVG: 2500200 -25.0167 -24.8176 -21.649 -25.2295 46.3097 10.6508 -22.4366 11.3259 -34.7213 TIMING: 2500200 CPU: 7808.65, 0.00312328/step Wall: 7808.65, 0.00312328/step, 2.16877 hours remaining, 233.539062 MB of memory in use. ENERGY: 2500200 3909.4894 20442.4159 14371.8333 258.4659 -203058.8645 2687.5236 0.0000 0.0000 51889.8027 -109499.3335 298.2114 -161389.1363 -109131.4801 297.8759 -141.2306 -119.1538 764145.1808 -4.5175 -4.4761 LDB: ============= START OF LOAD BALANCING ============== 7821.13 LDB: ============== END OF LOAD BALANCING =============== 7821.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7821.13 LDB: ============= START OF LOAD BALANCING ============== 7821.44 LDB: Largest compute 7031 load 0.030367 is 15.6% of average load 0.195185 LDB: Average compute 0.004420 is 2.3% of average load 0.195185 LDB: TIME 7821.44 LOAD: AVG 0.195185 MAX 0.214804 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.051 MB LDB: TIME 7821.44 LOAD: AVG 0.195185 MAX 0.214804 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.051 MB LDB: TIME 7821.44 LOAD: AVG 0.195185 MAX 0.214804 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.051 MB LDB: ============== END OF LOAD BALANCING =============== 7821.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7821.45 PRESSURE: 2500400 341.383 29.8571 -36.2645 29.8567 -170.501 -279.705 -36.2643 -279.704 10.7329 GPRESSURE: 2500400 327.736 158.015 -47.0809 208.385 -133.339 -250.236 54.8631 -248.624 49.0171 PRESSAVG: 2500400 14.1286 30.7733 -17.8812 30.7734 -42.5985 -37.6945 -17.8812 -37.6945 4.67658 GPRESSAVG: 2500400 13.742 30.0503 -19.3843 32.7153 -40.7926 -39.3972 -16.7229 -38.0868 2.99204 TIMING: 2500400 CPU: 7809.28, 0.00315779/step Wall: 7809.28, 0.00315779/step, 2.19256 hours remaining, 235.082031 MB of memory in use. ENERGY: 2500400 3942.4960 20471.6175 14436.6143 256.0799 -203638.3163 2827.0309 0.0000 0.0000 52127.1327 -109577.3450 299.5753 -161704.4777 -109209.2974 298.1758 60.5382 81.1379 762153.2015 -7.9311 -8.0195 PRESSURE: 2500600 258.811 -135.351 -139.761 -135.35 -227.976 -123.173 -139.761 -123.174 208.263 GPRESSURE: 2500600 292.257 -106.788 0.889565 -110.236 -197.383 -135.801 -137.867 -209.271 241.521 PRESSAVG: 2500600 61.6919 -17.0441 9.63689 -17.0441 -9.06704 6.25084 9.63691 6.25089 10.9436 GPRESSAVG: 2500600 61.3497 -14.711 12.0125 -18.3401 -10.4594 5.49692 11.5294 6.17182 12.6828 TIMING: 2500600 CPU: 7809.9, 0.00309547/step Wall: 7809.9, 0.00309547/step, 2.14912 hours remaining, 235.082031 MB of memory in use. ENERGY: 2500600 4016.5492 20470.9650 14447.0631 264.6199 -203548.2955 3098.9013 0.0000 0.0000 51705.5121 -109544.6849 297.1523 -161250.1970 -109182.0595 297.8931 79.6992 112.1316 761883.8417 21.1895 21.1910 PRESSURE: 2500800 -226.516 85.921 325.685 85.9211 -224.555 136.281 325.686 136.282 -176.979 GPRESSURE: 2500800 -187.643 48.0957 322.491 106.628 -170.308 159.838 210.751 176.338 -174.602 PRESSAVG: 2500800 -37.9761 7.10488 -36.7467 7.10483 -17.7142 -12.7092 -36.7467 -12.7092 -0.273046 GPRESSAVG: 2500800 -38.2967 5.52289 -37.4438 7.89972 -18.6089 -10.7427 -37.5793 -14.4888 0.520531 TIMING: 2500800 CPU: 7810.52, 0.00307456/step Wall: 7810.52, 0.00307456/step, 2.13442 hours remaining, 235.082031 MB of memory in use. ENERGY: 2500800 3936.8253 20651.5838 14399.3932 247.8267 -203290.0678 2596.1895 0.0000 0.0000 52016.9691 -109441.2801 298.9422 -161458.2492 -109074.4166 298.2671 -209.3501 -177.5178 762203.3719 -18.6545 -18.7950 PRESSURE: 2501000 -104.476 96.4548 -78.1091 96.4545 265.591 -192.318 -78.1091 -192.317 109.945 GPRESSURE: 2501000 -20.0395 119.711 -16.0721 81.4011 223.358 -111.828 20.0741 -114.011 155.341 PRESSAVG: 2501000 -44.4186 30.3512 38.398 30.3512 10.6568 35.652 38.398 35.6521 7.99644 GPRESSAVG: 2501000 -43.6559 30.3234 40.1972 28.997 11.387 37.1847 37.0687 37.2425 7.02914 TIMING: 2501000 CPU: 7811.14, 0.00308731/step Wall: 7811.14, 0.00308731/step, 2.14311 hours remaining, 235.082031 MB of memory in use. ENERGY: 2501000 4002.3152 20439.5413 14425.4221 259.4981 -203665.7341 2881.6045 0.0000 0.0000 52390.0681 -109267.2848 301.0864 -161657.3528 -108916.4946 299.2103 90.3535 119.5530 762064.1662 -8.5884 -8.4132 PRESSURE: 2501200 124.758 90.7522 6.68983 90.7509 -15.6742 -109.607 6.69015 -109.606 161.788 GPRESSURE: 2501200 216.276 112.182 16.0325 120.959 -12.3151 -24.8614 -58.1529 -61.1119 144.501 PRESSAVG: 2501200 10.0656 -20.1078 15.8394 -20.1077 -28.0047 15.8846 15.8394 15.8845 -5.08576 GPRESSAVG: 2501200 9.85751 -19.5455 13.7878 -18.6104 -27.9502 12.3999 15.2855 16.5837 -5.0083 TIMING: 2501200 CPU: 7811.75, 0.00308636/step Wall: 7811.75, 0.00308636/step, 2.14227 hours remaining, 235.082031 MB of memory in use. ENERGY: 2501200 4070.3443 20505.5075 14365.6737 245.6543 -203146.8278 2633.3612 0.0000 0.0000 52036.8137 -109289.4731 299.0563 -161326.2868 -108936.2837 299.1494 90.2907 116.1540 763361.4762 -7.6749 -7.7003 PRESSURE: 2501400 314.98 -144.869 -246.069 -144.869 -204.603 -15.1244 -246.07 -15.1239 -234.082 GPRESSURE: 2501400 329.887 -121.889 -223.696 -108.569 -185.326 -1.85926 -206.487 39.4959 -165.65 PRESSAVG: 2501400 -37.9938 -18.5702 -14.4254 -18.5702 9.48685 4.7259 -14.4255 4.72596 14.1496 GPRESSAVG: 2501400 -38.6387 -16.0472 -14.4494 -19.2759 8.40585 7.80184 -13.3233 5.44984 15.6009 TIMING: 2501400 CPU: 7812.37, 0.00308902/step Wall: 7812.37, 0.00308902/step, 2.14395 hours remaining, 235.082031 MB of memory in use. ENERGY: 2501400 3996.4725 20335.3870 14423.5530 239.1066 -203449.7306 3159.9622 0.0000 0.0000 51968.5353 -109326.7142 298.6639 -161295.2495 -108962.2864 298.7181 -41.2346 -7.0295 764053.7878 -4.7858 -4.8773 PRESSURE: 2501600 -54.3069 -35.813 -90.5355 -35.8124 -165.197 40.7227 -90.5353 40.7225 8.93796 GPRESSURE: 2501600 24.9897 19.2901 -134.417 15.1801 -173.278 19.6795 -145.679 145.516 20.9738 PRESSAVG: 2501600 -29.2811 -0.968371 -21.7248 -0.968359 12.4251 18.5685 -21.7247 18.5686 -12.5022 GPRESSAVG: 2501600 -27.9091 -2.73961 -21.9572 -0.75113 12.7149 15.1639 -21.0455 18.231 -14.6323 TIMING: 2501600 CPU: 7812.99, 0.00309071/step Wall: 7812.99, 0.00309071/step, 2.14496 hours remaining, 235.082031 MB of memory in use. ENERGY: 2501600 3955.1255 20632.4901 14362.4366 245.4381 -203224.6763 2679.0257 0.0000 0.0000 52058.2982 -109291.8620 299.1798 -161350.1602 -108930.3415 298.8813 -70.1886 -42.4383 764174.0203 -9.7861 -9.9422 PRESSURE: 2501800 -47.5196 -182.333 -42.5119 -182.332 -24.0359 116.984 -42.5119 116.983 325.829 GPRESSURE: 2501800 -26.9798 -246.635 -60.7115 -269.116 50.0819 188.715 23.844 253.006 309.506 PRESSAVG: 2501800 -40.7411 -22.1344 9.37305 -22.1344 41.2255 26.3411 9.37309 26.3411 8.62144 GPRESSAVG: 2501800 -42.4988 -22.0125 9.7308 -21.3527 42.3303 27.8642 8.81565 25.6376 8.67013 TIMING: 2501800 CPU: 7813.61, 0.00310118/step Wall: 7813.61, 0.00310118/step, 2.15205 hours remaining, 235.082031 MB of memory in use. ENERGY: 2501800 3892.1908 20573.7346 14386.5042 254.5771 -203591.4369 3257.8308 0.0000 0.0000 51953.2344 -109273.3649 298.5760 -161226.5994 -108906.9229 298.8385 84.7580 110.8695 764126.5910 3.0353 2.8339 PRESSURE: 2502000 -37.4116 170.83 -130.429 170.829 45.4476 -144.704 -130.43 -144.703 -145.658 GPRESSURE: 2502000 26.7934 222.344 -200.171 114.565 61.4709 -210.739 -57.9214 -58.9927 -126.798 PRESSAVG: 2502000 -11.2689 -11.8233 36.6707 -11.8233 -2.32477 1.94597 36.6707 1.94593 -11.704 GPRESSAVG: 2502000 -11.2396 -12.1316 36.7846 -13.4878 -2.33109 2.70431 36.4871 2.83475 -11.6263 TIMING: 2502000 CPU: 7814.23, 0.00309027/step Wall: 7814.23, 0.00309027/step, 2.1443 hours remaining, 235.082031 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: 2502000 4024.0707 20490.1085 14388.7035 239.1801 -203460.3062 3179.7586 0.0000 0.0000 51858.2674 -109280.2174 298.0302 -161138.4848 -108917.5116 298.8459 -45.8740 -12.8445 764727.7313 -8.4325 -8.3990 PRESSURE: 2502200 4.22012 -168.891 -102.867 -168.891 129.848 23.9326 -102.866 23.9334 94.5105 GPRESSURE: 2502200 111.808 -82.4086 -117.91 -20.1 111.147 61.8984 -122.64 -20.1107 97.6457 PRESSAVG: 2502200 40.0743 -17.8811 23.2574 -17.8811 -49.2927 42.9229 23.2574 42.923 -17.5553 GPRESSAVG: 2502200 41.5014 -17.0196 22.8802 -15.6397 -50.4446 41.4494 23.3468 43.5073 -17.7055 TIMING: 2502200 CPU: 7814.84, 0.00308003/step Wall: 7814.84, 0.00308003/step, 2.13702 hours remaining, 235.082031 MB of memory in use. ENERGY: 2502200 3981.9328 20457.5110 14422.4568 254.7099 -202990.5793 2805.3386 0.0000 0.0000 51838.9439 -109229.6864 297.9191 -161068.6303 -108868.4537 298.5951 76.1928 106.8666 765300.4385 -8.9246 -8.8829 PRESSURE: 2502400 -76.8497 139.372 81.7043 139.372 166.635 129.441 81.7041 129.441 513.164 GPRESSURE: 2502400 93.1407 157.924 57.097 77.613 222.539 236.061 34.562 -20.8247 358.067 PRESSAVG: 2502400 -2.98288 0.115732 8.14868 0.115636 8.633 26.7037 8.14873 26.7037 1.64275 GPRESSAVG: 2502400 -3.25744 1.50551 9.24521 -3.04071 10.1745 28.2694 5.86915 24.8612 0.341533 TIMING: 2502400 CPU: 7815.46, 0.00308669/step Wall: 7815.46, 0.00308669/step, 2.14148 hours remaining, 235.082031 MB of memory in use. ENERGY: 2502400 4012.4281 20566.9086 14394.9097 251.4275 -203000.4598 2666.8823 0.0000 0.0000 52054.7985 -109053.1052 299.1596 -161107.9036 -108696.2394 299.2878 200.9831 224.5821 765460.9888 2.4310 2.4195 PRESSURE: 2502600 156.592 -50.131 -134.775 -50.1311 -342.43 52.1651 -134.776 52.1663 -467.867 GPRESSURE: 2502600 100.948 109.989 -94.4387 -33.5516 -244.759 -11.3762 -144.949 115.938 -408.803 PRESSAVG: 2502600 -47.1501 52.9105 -46.4575 52.9105 33.7462 17.9461 -46.4575 17.9461 1.66092 GPRESSAVG: 2502600 -47.631 51.4761 -46.9963 55.1358 32.725 16.966 -43.9231 18.7287 3.2069 TIMING: 2502600 CPU: 7816.08, 0.00309751/step Wall: 7816.08, 0.00309751/step, 2.14881 hours remaining, 235.082031 MB of memory in use. ENERGY: 2502600 4131.4830 20485.4365 14425.9494 236.7409 -202929.1235 2598.3462 0.0000 0.0000 51952.3317 -109098.8358 298.5708 -161051.1675 -108738.4953 299.2515 -217.9018 -184.2047 764587.7853 -3.9143 -3.8997 PRESSURE: 2502800 -160.825 -46.2909 -30.0933 -46.2905 -120.346 -29.5566 -30.0938 -29.557 -381.758 GPRESSURE: 2502800 -151.583 -21.7202 -55.4554 -122.437 -188.51 -67.6239 113.644 39.9225 -243.491 PRESSAVG: 2502800 0.653706 16.4487 22.4986 16.4487 6.02741 33.2809 22.4986 33.2809 9.51506 GPRESSAVG: 2502800 0.133024 15.0321 23.4041 14.9862 7.23432 33.3682 22.322 32.4638 9.42263 TIMING: 2502800 CPU: 7816.7, 0.00308802/step Wall: 7816.7, 0.00308803/step, 2.14206 hours remaining, 235.082031 MB of memory in use. ENERGY: 2502800 4010.2608 20631.9783 14343.1026 262.4377 -202971.2304 2635.9269 0.0000 0.0000 52219.5574 -108867.9666 300.1065 -161087.5241 -108512.2586 299.4552 -220.9764 -194.5279 762705.9860 5.3987 5.5967 PRESSURE: 2503000 292.031 -375.12 16.6163 -375.121 -294.973 115.084 16.6158 115.085 129.703 GPRESSURE: 2503000 322.223 -363.13 43.1003 -300.083 -215.876 51.2574 -9.74956 15.3381 95.0294 PRESSAVG: 2503000 13.8964 7.12914 -0.0384583 7.12913 -8.94856 50.3017 -0.0384293 50.3017 0.859355 GPRESSAVG: 2503000 13.8113 7.09855 -0.791908 8.03676 -9.72738 49.7975 0.200102 50.4327 1.61327 TIMING: 2503000 CPU: 7817.32, 0.00310052/step Wall: 7817.32, 0.00310052/step, 2.15055 hours remaining, 235.082031 MB of memory in use. ENERGY: 2503000 4076.4694 20352.6426 14397.6419 256.2208 -203220.8000 2892.0083 0.0000 0.0000 52196.1541 -109049.6628 299.9720 -161245.8170 -108678.5682 299.7486 42.2535 67.1256 763946.7068 1.9357 1.8991 PRESSURE: 2503200 -415.092 -38.7332 66.8449 -38.733 -27.1346 -270.946 66.8449 -270.945 -102.984 GPRESSURE: 2503200 -381.125 -55.3486 58.9217 -0.834699 7.11742 -212.893 16.2223 -316.48 -92.2761 PRESSAVG: 2503200 -17.8742 -22.2679 -0.634764 -22.2678 -17.7211 -3.33873 -0.634771 -3.33875 16.9848 GPRESSAVG: 2503200 -18.0785 -23.713 -0.769198 -19.3363 -18.652 -3.98192 -2.63007 -2.32795 17.9108 TIMING: 2503200 CPU: 7817.94, 0.00309775/step Wall: 7817.94, 0.00309775/step, 2.14846 hours remaining, 235.082031 MB of memory in use. ENERGY: 2503200 4017.2321 20511.3572 14290.4978 230.6342 -203011.5510 2749.9314 0.0000 0.0000 52225.0994 -108986.7989 300.1384 -161211.8983 -108621.9172 299.2524 -181.7369 -155.4278 764113.3872 -6.2035 -6.2732 PRESSURE: 2503400 469.811 -10.9708 -61.8791 -10.9708 27.8936 14.1956 -61.8773 14.1951 167.774 GPRESSURE: 2503400 544.808 -26.9799 29.4413 -104.596 21.1883 47.2278 -77.3506 138.242 194.825 PRESSAVG: 2503400 52.339 4.45208 -46.4132 4.45209 -20.4124 46.4979 -46.4132 46.4978 13.1651 GPRESSAVG: 2503400 52.2126 5.9126 -46.3977 3.06475 -19.217 47.3357 -43.7987 44.4313 12.7566 TIMING: 2503400 CPU: 7818.55, 0.00308331/step Wall: 7818.55, 0.00308331/step, 2.13827 hours remaining, 235.082031 MB of memory in use. ENERGY: 2503400 3997.7368 20534.2625 14384.8081 244.1932 -203269.3634 2900.2665 0.0000 0.0000 52170.7879 -109037.3084 299.8262 -161208.0963 -108670.9105 299.5636 221.8262 253.6070 761839.7846 15.0306 15.2508 PRESSURE: 2503600 11.6463 -10.3503 -82.2468 -10.3503 100.337 -231.286 -82.247 -231.287 -75.7189 GPRESSURE: 2503600 44.16 99.6206 -89.601 15.7245 130.933 -164.593 -158.473 -55.5161 -72.1243 PRESSAVG: 2503600 25.9361 34.9242 -13.2881 34.9241 35.3009 -5.44916 -13.2881 -5.44909 0.734789 GPRESSAVG: 2503600 26.8878 34.0117 -14.6814 34.2636 34.9167 -4.97874 -12.3258 -3.21772 0.515838 TIMING: 2503600 CPU: 7819.17, 0.00309113/step Wall: 7819.17, 0.00309113/step, 2.14352 hours remaining, 235.082031 MB of memory in use. ENERGY: 2503600 3934.2819 20526.6010 14391.2183 253.4164 -202994.8073 2584.5632 0.0000 0.0000 52133.0652 -109171.6612 299.6094 -161304.7264 -108803.0521 299.4078 12.0880 34.3230 763603.6790 20.6573 20.7734 PRESSURE: 2503800 -486.277 -161.496 -100.7 -161.495 -352.555 -159.263 -100.7 -159.264 -364.197 GPRESSURE: 2503800 -483.301 -250.515 -84.2859 52.3939 -249.658 -162.733 -175.92 -116.549 -410.701 PRESSAVG: 2503800 22.9262 -36.9167 -12.436 -36.9167 -32.2986 -16.0677 -12.436 -16.0678 28.0428 GPRESSAVG: 2503800 23.1029 -38.1186 -10.504 -37.6748 -32.8067 -16.6669 -15.4937 -16.5172 28.619 TIMING: 2503800 CPU: 7819.79, 0.00309839/step Wall: 7819.79, 0.00309839/step, 2.14839 hours remaining, 235.082031 MB of memory in use. ENERGY: 2503800 3986.5667 20490.6042 14414.2752 257.0716 -202560.0882 2255.3773 0.0000 0.0000 52003.0235 -109153.1697 298.8621 -161156.1932 -108789.0387 298.5904 -401.0099 -381.2197 765452.7469 6.2235 6.3051 PRESSURE: 2504000 -68.7427 7.0009 -57.4885 7.00026 -340.263 -69.7406 -57.4883 -69.7403 -30.1657 GPRESSURE: 2504000 -98.4556 146.904 -56.9816 -20.1256 -184.458 58.4011 -196.378 -145.119 -60.898 PRESSAVG: 2504000 -5.29548 -12.6453 37.6095 -12.6453 22.26 -13.6243 37.6095 -13.6242 2.01036 GPRESSAVG: 2504000 -4.95866 -10.9792 36.6686 -13.4119 22.3802 -11.2945 38.3769 -15.1479 1.28316 TIMING: 2504000 CPU: 7820.41, 0.00309666/step Wall: 7820.41, 0.00309666/step, 2.14702 hours remaining, 235.082031 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: 2504000 4027.7603 20535.5738 14343.6697 255.7133 -202807.2504 2674.9842 0.0000 0.0000 51930.5879 -109038.9612 298.4458 -160969.5491 -108682.0668 299.3303 -146.3905 -114.6037 764691.3438 6.3250 6.2349 PRESSURE: 2504200 104.518 -59.602 -91.4935 -59.6028 293.624 -71.5528 -91.4941 -71.5521 104.965 GPRESSURE: 2504200 159.796 -10.4292 -35.9321 -44.5781 158.747 -76.4564 -110.238 -221.357 267.862 PRESSAVG: 2504200 -6.24325 62.213 -56.9541 62.213 -24.7162 -50.0737 -56.9541 -50.0737 -4.97766 GPRESSAVG: 2504200 -6.62583 62.1628 -56.042 64.0074 -23.7753 -51.0299 -59.3164 -51.0923 -5.488 TIMING: 2504200 CPU: 7821.03, 0.00310223/step Wall: 7821.03, 0.00310223/step, 2.15071 hours remaining, 235.082031 MB of memory in use. ENERGY: 2504200 4000.7479 20558.9787 14361.9150 251.2614 -203355.0383 2854.5301 0.0000 0.0000 52317.7069 -109009.8983 300.6706 -161327.6052 -108654.2889 299.2606 167.7022 195.4682 763808.4059 -11.9790 -11.9630 LDB: ============= START OF LOAD BALANCING ============== 7833.51 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7833.51 LDB: =============== DONE WITH MIGRATION ================ 7833.51 LDB: ============= START OF LOAD BALANCING ============== 7833.82 LDB: Largest compute 7041 load 0.028121 is 14.4% of average load 0.195104 LDB: Average compute 0.004398 is 2.3% of average load 0.195104 LDB: TIME 7833.82 LOAD: AVG 0.195104 MAX 0.216813 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.633 MB LDB: TIME 7833.82 LOAD: AVG 0.195104 MAX 0.216813 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.633 MB LDB: TIME 7833.82 LOAD: AVG 0.195104 MAX 0.216813 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.633 MB LDB: ============== END OF LOAD BALANCING =============== 7833.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7833.83 PRESSURE: 2504400 32.6946 36.92 24.0228 36.9197 116.664 -134.043 24.0235 -134.043 -42.128 GPRESSURE: 2504400 124.851 -55.9567 21.9589 -87.4574 156.903 -104.125 89.9488 -58.5095 -91.7775 PRESSAVG: 2504400 -7.84944 -2.75511 -25.5683 -2.75515 11.2032 -15.0684 -25.5684 -15.0684 -20.7688 GPRESSAVG: 2504400 -8.33836 -2.19667 -24.9904 -4.07213 10.3682 -17.16 -23.1263 -14.6193 -19.738 TIMING: 2504400 CPU: 7821.66, 0.00316311/step Wall: 7821.66, 0.00316311/step, 2.19274 hours remaining, 237.195312 MB of memory in use. ENERGY: 2504400 4033.2972 20484.2843 14409.8891 235.8412 -203246.1773 3060.5734 0.0000 0.0000 52001.0173 -109021.2748 298.8506 -161022.2921 -108654.6459 299.5167 35.7434 63.3255 764273.9649 -5.8050 -5.9027 PRESSURE: 2504600 2.39234 118.432 -76.6269 118.432 -134.572 -348.585 -76.6264 -348.585 165.825 GPRESSURE: 2504600 37.3392 -33.4972 -79.8873 26.1122 -106.396 -318.06 -159.3 -349.747 174.316 PRESSAVG: 2504600 -38.1639 63.446 -31.2333 63.4461 22.4339 -30.8806 -31.2332 -30.8806 7.41732 GPRESSAVG: 2504600 -38.0251 63.2433 -33.0138 62.8428 22.2499 -28.4625 -30.2651 -29.8999 7.44772 TIMING: 2504600 CPU: 7822.28, 0.00309342/step Wall: 7822.28, 0.00309342/step, 2.14425 hours remaining, 237.265625 MB of memory in use. ENERGY: 2504600 3931.5556 20647.7005 14439.2111 249.7235 -203162.7656 2870.4019 0.0000 0.0000 52019.6861 -109004.4870 298.9579 -161024.1730 -108641.1386 299.4238 11.2150 35.0865 763959.9265 -2.7709 -2.7758 PRESSURE: 2504800 -157.898 -58.1505 -52.6408 -58.1518 -55.5801 61.3266 -52.6401 61.3269 46.6807 GPRESSURE: 2504800 -208.581 -95.7287 28.8617 -9.27018 43.0778 75.1547 -111.467 13.3864 63.5671 PRESSAVG: 2504800 -15.4755 2.41941 -57.5681 2.41941 28.302 -5.00304 -57.5681 -5.00303 -12.4867 GPRESSAVG: 2504800 -17.1973 3.33888 -55.8665 2.54771 29.2138 -6.7847 -61.0488 -7.36734 -12.0597 TIMING: 2504800 CPU: 7822.9, 0.00309362/step Wall: 7822.9, 0.00309362/step, 2.14422 hours remaining, 237.523438 MB of memory in use. ENERGY: 2504800 3933.3530 20424.0243 14372.3134 251.1374 -202746.2789 2491.5717 0.0000 0.0000 52174.6628 -109099.2163 299.8485 -161273.8791 -108736.9852 299.5473 -55.5990 -33.9788 764813.4109 0.1133 -0.0144 PRESSURE: 2505000 88.7934 158.182 277.495 158.182 -107.787 62.4037 277.495 62.404 -343.754 GPRESSURE: 2505000 126.051 118.267 263.537 136.397 -154.578 72.384 156.383 98.7879 -259.554 PRESSAVG: 2505000 -20.2065 32.0731 -13.8198 32.0731 28.1704 -22.9043 -13.8198 -22.9044 -18.7302 GPRESSAVG: 2505000 -18.4803 29.8735 -14.4721 32.5739 28.3214 -23.087 -13.2485 -19.6647 -20.5825 TIMING: 2505000 CPU: 7823.52, 0.00309855/step Wall: 7823.52, 0.00309855/step, 2.14747 hours remaining, 237.523438 MB of memory in use. ENERGY: 2505000 3942.8321 20602.0839 14405.0309 250.3294 -203311.0166 2897.5694 0.0000 0.0000 52062.8617 -109150.3092 299.2060 -161213.1709 -108799.6558 299.0488 -120.9159 -96.0270 761982.0573 -3.5888 -3.5805 PRESSURE: 2505200 123.744 -30.7835 -101.974 -30.7838 23.3205 -239.093 -101.974 -239.094 135.794 GPRESSURE: 2505200 107.945 -79.3725 -75.8362 36.9509 125.032 -246.166 -79.2502 -148.084 153.885 PRESSAVG: 2505200 8.82432 14.8188 -7.94344 14.8187 5.37369 23.1227 -7.94343 23.1227 -12.3756 GPRESSAVG: 2505200 8.20046 14.6732 -8.06147 16.2789 4.84689 22.0347 -6.77941 22.7107 -10.888 TIMING: 2505200 CPU: 7824.14, 0.00309054/step Wall: 7824.14, 0.00309054/step, 2.14175 hours remaining, 237.523438 MB of memory in use. ENERGY: 2505200 4032.6044 20543.7167 14351.9079 237.9589 -202938.1654 2689.6900 0.0000 0.0000 51900.4831 -109181.8044 298.2728 -161082.2875 -108820.5922 298.8398 94.2862 128.9540 762186.1829 0.6075 0.7198 PRESSURE: 2505400 -187.544 183.091 43.3711 183.091 -285.01 -246.938 43.3702 -246.939 -213.249 GPRESSURE: 2505400 -147.621 207.376 20.3718 96.0006 -232.866 -193.559 -117.473 -116.735 -221.674 PRESSAVG: 2505400 -6.76605 40.0509 -20.7739 40.0508 -9.55497 -41.495 -20.7739 -41.495 3.37026 GPRESSAVG: 2505400 -5.48027 42.1661 -20.7506 39.0227 -9.73721 -40.3854 -20.5406 -39.6996 2.30968 TIMING: 2505400 CPU: 7824.76, 0.00309763/step Wall: 7824.76, 0.00309763/step, 2.14649 hours remaining, 237.523438 MB of memory in use. ENERGY: 2505400 4057.6461 20506.6882 14452.2933 258.9273 -203017.2190 2428.1461 0.0000 0.0000 52105.1522 -109208.3658 299.4490 -161313.5180 -108842.8447 299.0914 -228.6010 -200.7203 762228.2325 -4.3169 -4.3026 PRESSURE: 2505600 257.062 -21.5915 139.085 -21.5914 -99.199 56.6052 139.085 56.606 161.961 GPRESSURE: 2505600 317.598 -17.6735 122.121 -92.033 -77.3901 40.1675 127.603 170.747 155.516 PRESSAVG: 2505600 -7.49575 -13.9338 -34.3126 -13.9338 19.3101 -27.8116 -34.3126 -27.8116 18.8118 GPRESSAVG: 2505600 -7.99816 -14.601 -33.7586 -16.1378 19.8765 -27.3356 -37.0185 -30.7528 18.7871 TIMING: 2505600 CPU: 7825.38, 0.00307906/step Wall: 7825.38, 0.00307906/step, 2.13345 hours remaining, 237.523438 MB of memory in use. ENERGY: 2505600 3957.6223 20554.5313 14480.3080 258.7666 -203212.1990 2859.3871 0.0000 0.0000 51888.5135 -109213.0703 298.2040 -161101.5837 -108852.1384 299.1142 106.6081 131.9080 761105.3883 10.2087 10.2218 PRESSURE: 2505800 -51.7539 -13.6335 -193.827 -13.6333 120.498 -331.579 -193.827 -331.579 -13.8831 GPRESSURE: 2505800 -51.1642 -45.4147 -148.737 -30.4502 163.361 -245.658 -221.814 -244.274 15.6779 PRESSAVG: 2505800 -35.913 34.3653 17.1034 34.3653 19.046 14.1343 17.1033 14.1343 7.46282 GPRESSAVG: 2505800 -37.2242 34.628 17.9488 36.4751 18.9523 13.4028 18.6905 15.3633 8.31804 TIMING: 2505800 CPU: 7826, 0.00310101/step Wall: 7826, 0.00310101/step, 2.14848 hours remaining, 237.578125 MB of memory in use. ENERGY: 2505800 4000.0641 20614.5099 14421.0190 243.1251 -203523.8568 3089.0462 0.0000 0.0000 52084.2216 -109071.8710 299.3287 -161156.0927 -108719.3130 299.3069 18.2869 42.6248 763644.1963 -3.1347 -3.3179 PRESSURE: 2506000 20.2748 4.40494 75.8246 4.40495 -190.502 -75.6917 75.8241 -75.6923 34.2437 GPRESSURE: 2506000 97.343 -32.7 151.977 23.8242 -83.1896 -4.82562 -12.7892 -56.1784 -58.2398 PRESSAVG: 2506000 -14.9215 -20.0847 21.5112 -20.0847 15.9602 -41.9043 21.5112 -41.9042 2.23934 GPRESSAVG: 2506000 -13.9235 -20.3348 20.7645 -21.2217 15.2929 -41.0979 20.4466 -43.6653 2.03139 TIMING: 2506000 CPU: 7826.61, 0.00308153/step Wall: 7826.61, 0.00308153/step, 2.13482 hours remaining, 237.578125 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: 2506000 4072.5047 20528.6575 14399.3294 229.5078 -203211.8419 3020.5561 0.0000 0.0000 51936.9311 -109024.3552 298.4823 -160961.2864 -108685.7805 299.2660 -45.3278 -14.6955 762583.6826 1.0927 1.1336 PRESSURE: 2506200 -204.499 -177.349 -28.9059 -177.348 -15.5433 -199.845 -28.9058 -199.844 -20.148 GPRESSURE: 2506200 -210.107 -184.705 -16.2453 -102.012 -15.1154 -176.423 -28.6634 -164.194 73.5716 PRESSAVG: 2506200 45.351 0.13517 32.5521 0.135161 1.83347 -15.9297 32.5521 -15.9297 -15.9945 GPRESSAVG: 2506200 45.2016 -2.43293 33.3315 0.714305 1.59413 -16.8445 32.8705 -14.0245 -15.6231 TIMING: 2506200 CPU: 7827.23, 0.00309951/step Wall: 7827.23, 0.00309951/step, 2.1471 hours remaining, 237.578125 MB of memory in use. ENERGY: 2506200 3958.3708 20442.1934 14462.4304 238.7522 -203103.1318 2716.4715 0.0000 0.0000 52136.2248 -109148.6888 299.6276 -161284.9136 -108792.7085 299.5195 -80.0634 -50.5503 761380.2080 10.3966 10.3909 PRESSURE: 2506400 -64.6142 -148.655 -149.765 -148.655 63.4645 -199.611 -149.764 -199.611 -12.7705 GPRESSURE: 2506400 59.1925 -23.92 -183.722 -182.042 31.9846 -221.847 -94.1161 -58.767 -5.97909 PRESSAVG: 2506400 -22.2927 9.17019 -5.65598 9.17015 31.0197 -71.4466 -5.65599 -71.4467 2.09209 GPRESSAVG: 2506400 -22.4177 10.5913 -7.22347 11.0345 31.7833 -71.1892 -5.49823 -71.6059 1.83727 TIMING: 2506400 CPU: 7827.85, 0.00310376/step Wall: 7827.85, 0.00310376/step, 2.14987 hours remaining, 237.578125 MB of memory in use. ENERGY: 2506400 4002.5858 20353.7980 14493.8230 223.2626 -203093.7008 2817.5193 0.0000 0.0000 51940.9813 -109261.7308 298.5055 -161202.7121 -108904.3728 299.0051 -4.6401 28.3994 761553.1284 3.6064 3.7343 PRESSURE: 2506600 -472.219 48.9511 110.004 48.9514 -88.8715 96.1321 110.005 96.1318 -174.551 GPRESSURE: 2506600 -356.475 71.9849 106.172 136.016 -169.099 76.2565 199.713 5.795 -118.58 PRESSAVG: 2506600 9.24033 113.458 19.6416 113.458 15.6952 -19.1982 19.6416 -19.1981 16.9306 GPRESSAVG: 2506600 11.3717 112.632 19.0887 113.353 13.6011 -18.8355 21.048 -19.8458 16.6718 TIMING: 2506600 CPU: 7828.48, 0.0031149/step Wall: 7828.48, 0.0031149/step, 2.15741 hours remaining, 237.578125 MB of memory in use. ENERGY: 2506600 3988.5368 20310.0861 14526.7324 219.8679 -203002.9083 2580.3196 0.0000 0.0000 51947.9184 -109429.4470 298.5454 -161377.3654 -109054.9936 298.5256 -245.2137 -214.7180 762821.0541 13.9554 13.8815 PRESSURE: 2506800 -195.206 119.237 -75.8595 119.237 -69.3333 51.1719 -75.8592 51.1714 -201.324 GPRESSURE: 2506800 -189.162 98.4911 -53.1074 75.8661 -32.7206 100.741 86.9256 11.1239 -145.227 PRESSAVG: 2506800 -18.2302 21.1391 52.1064 21.1391 -17.6234 -9.36239 52.1064 -9.3624 8.17835 GPRESSAVG: 2506800 -19.9726 24.4659 53.3798 19.6886 -16.3425 -9.30109 52.3109 -10.1946 8.81915 TIMING: 2506800 CPU: 7829.1, 0.00312296/step Wall: 7829.1, 0.00312296/step, 2.16283 hours remaining, 237.578125 MB of memory in use. ENERGY: 2506800 4037.7064 20442.5366 14372.9212 248.2154 -203116.3609 2731.8514 0.0000 0.0000 52060.9660 -109222.1639 299.1951 -161283.1299 -108851.2705 298.4756 -155.2880 -122.3699 763100.4525 -9.2251 -9.1653 PRESSURE: 2507000 -101.841 47.9504 -19.4943 47.9507 17.7027 -131.314 -19.4945 -131.315 -431.316 GPRESSURE: 2507000 -115.109 -48.3854 -56.3754 167.363 35.8424 -50.1518 -130.605 -206.476 -339.115 PRESSAVG: 2507000 -100.287 10.5279 42.0307 10.5279 82.5081 41.1529 42.0307 41.1529 -11.1555 GPRESSAVG: 2507000 -100.872 11.0015 42.3077 10.2654 83.7383 39.9928 42.3031 41.2089 -11.5603 TIMING: 2507000 CPU: 7829.72, 0.00311323/step Wall: 7829.72, 0.00311324/step, 2.15592 hours remaining, 237.578125 MB of memory in use. ENERGY: 2507000 4024.5617 20388.1696 14474.4769 244.3718 -203146.5045 2924.0607 0.0000 0.0000 52090.4152 -109000.4485 299.3643 -161090.8638 -108643.0635 298.8433 -171.8183 -139.4605 764458.1102 -9.6449 -9.5645 PRESSURE: 2507200 -169.823 -56.899 45.1291 -56.899 -255.897 74.8745 45.1294 74.8743 -301.821 GPRESSURE: 2507200 -151.686 -36.6196 30.1263 -138.439 -174.695 20.1764 30.3135 25.7506 -324.29 PRESSAVG: 2507200 -57.8311 -21.4486 0.572754 -21.4485 76.5499 -19.0583 0.572702 -19.0582 12.25 GPRESSAVG: 2507200 -57.2787 -25.8154 -0.86889 -19.6811 75.684 -16.7633 -0.620593 -18.4236 12.6506 TIMING: 2507200 CPU: 7830.34, 0.00311164/step Wall: 7830.34, 0.00311164/step, 2.15464 hours remaining, 237.578125 MB of memory in use. ENERGY: 2507200 3955.1429 20451.1312 14399.1930 235.8064 -203008.3410 2610.5477 0.0000 0.0000 52144.5305 -109211.9891 299.6753 -161356.5197 -108842.8781 298.8136 -242.5137 -216.8904 765249.2424 10.3229 10.3520 PRESSURE: 2507400 205.922 1.62713 -19.3508 1.62797 147.442 -59.429 -19.352 -59.4284 225.388 GPRESSURE: 2507400 255.81 26.6998 -43.159 107.934 264.445 -139.464 64.6249 68.1187 153.038 PRESSAVG: 2507400 -49.871 51.6299 43.3941 51.6299 54.4117 -25.7087 43.3941 -25.7087 -6.62128 GPRESSAVG: 2507400 -50.2269 54.2002 46.0544 50.7555 54.3852 -27.3821 43.074 -25.536 -6.15724 TIMING: 2507400 CPU: 7830.97, 0.00310736/step Wall: 7830.97, 0.00310736/step, 2.1515 hours remaining, 237.578125 MB of memory in use. ENERGY: 2507400 3986.2049 20379.9129 14437.5501 239.3496 -202978.6045 2741.3307 0.0000 0.0000 52183.3302 -109010.9260 299.8983 -161194.2562 -108650.5098 298.3598 192.9173 224.4311 762087.4239 -0.6935 -0.6663 PRESSURE: 2507600 -155.214 26.2127 263.011 26.2125 -158.932 -14.5287 263.011 -14.5282 46.3468 GPRESSURE: 2507600 -81.3947 -43.6341 258.101 31.0842 -85.8277 30.2895 207.276 -68.6467 -14.8419 PRESSAVG: 2507600 -28.483 19.1315 33.3326 19.1315 21.7913 -32.6701 33.3326 -32.6701 -1.3406 GPRESSAVG: 2507600 -28.6029 19.2892 31.5079 19.5672 23.5529 -32.8012 33.5524 -34.2963 -2.68041 TIMING: 2507600 CPU: 7831.59, 0.00310558/step Wall: 7831.59, 0.00310558/step, 2.1501 hours remaining, 237.578125 MB of memory in use. ENERGY: 2507600 3938.1440 20576.1489 14504.8738 253.2404 -202842.8474 2606.3582 0.0000 0.0000 51849.5715 -109114.5106 297.9802 -160964.0821 -108753.8190 298.8551 -89.2666 -60.6881 763739.9974 -2.6775 -2.5768 PRESSURE: 2507800 -120.875 103.835 88.1008 103.834 293.004 216.826 88.1009 216.827 98.4747 GPRESSURE: 2507800 -83.2748 -15.6267 17.9014 73.6663 265.342 244.719 99.9126 146.173 157.551 PRESSAVG: 2507800 0.4127 8.28989 27.3323 8.28994 46.7335 15.5338 27.3323 15.5337 -5.6253 GPRESSAVG: 2507800 0.731233 8.0746 28.1251 8.42046 45.4589 15.344 28.4392 15.0587 -5.42545 TIMING: 2507800 CPU: 7832.21, 0.00310969/step Wall: 7832.21, 0.00310969/step, 2.15277 hours remaining, 237.578125 MB of memory in use. ENERGY: 2507800 3899.5846 20453.1790 14385.4661 252.4277 -202683.4570 2516.0207 0.0000 0.0000 52072.6053 -109104.1736 299.2620 -161176.7789 -108755.6784 299.1601 90.2012 113.2060 763378.2158 13.8403 13.5882 PRESSURE: 2508000 -274.224 -198.611 -62.2991 -198.61 287.137 -79.2236 -62.2989 -79.2232 118.608 GPRESSURE: 2508000 -205.429 -167.564 -97.8613 -287.445 314.415 -107.261 -137.004 -62.569 144.142 PRESSAVG: 2508000 -7.34328 -31.0278 -2.20595 -31.0279 -15.6894 35.3346 -2.20588 35.3346 20.5325 GPRESSAVG: 2508000 -6.08101 -31.5391 -1.92448 -30.7401 -16.4542 35.8435 -4.62829 36.1941 20.6024 TIMING: 2508000 CPU: 7832.83, 0.00310216/step Wall: 7832.83, 0.00310216/step, 2.14739 hours remaining, 237.578125 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: 2508000 3960.5031 20362.2552 14424.1582 248.1943 -203013.3536 2846.6032 0.0000 0.0000 51989.6224 -109182.0172 298.7851 -161171.6396 -108824.8651 298.9172 43.8403 84.3757 762654.5302 -0.8334 -0.6442 PRESSURE: 2508200 -205.383 122.04 -32.6977 122.04 61.4866 126.854 -32.6975 126.854 15.0565 GPRESSURE: 2508200 -159.469 78.5398 3.71363 188.139 105.307 31.1855 55.2226 250.754 12.4072 PRESSAVG: 2508200 -28.4213 7.51635 26.4597 7.51634 18.4254 6.73223 26.4597 6.73225 -2.75836 GPRESSAVG: 2508200 -27.6209 6.38235 26.4959 6.99429 18.6687 4.75699 28.9008 8.91112 -3.4731 TIMING: 2508200 CPU: 7833.45, 0.00309275/step Wall: 7833.45, 0.00309275/step, 2.1407 hours remaining, 237.578125 MB of memory in use. ENERGY: 2508200 4075.3564 20456.7163 14462.8789 230.2922 -203017.8848 2628.4317 0.0000 0.0000 51909.9492 -109254.2601 298.3272 -161164.2093 -108899.6417 299.1014 -42.9466 -13.9183 763165.6316 -4.2514 -4.1418 LDB: ============= START OF LOAD BALANCING ============== 7845.93 LDB: ============== END OF LOAD BALANCING =============== 7845.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7845.93 LDB: ============= START OF LOAD BALANCING ============== 7846.24 LDB: Largest compute 7030 load 0.030365 is 15.6% of average load 0.195074 LDB: Average compute 0.004392 is 2.3% of average load 0.195074 LDB: TIME 7846.24 LOAD: AVG 0.195074 MAX 0.216428 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.477 MB LDB: TIME 7846.24 LOAD: AVG 0.195074 MAX 0.216428 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.516 MB LDB: TIME 7846.24 LOAD: AVG 0.195074 MAX 0.216428 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.516 MB LDB: ============== END OF LOAD BALANCING =============== 7846.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7846.25 PRESSURE: 2508400 -166.951 -5.48531 162.89 -5.48433 -337.02 79.7584 162.89 79.759 -82.3707 GPRESSURE: 2508400 -212.079 -118.826 113.104 -65.7086 -243.573 104.032 21.2776 156.406 -37.1913 PRESSAVG: 2508400 -40.3042 2.05055 18.0677 2.05053 40.9211 -10.683 18.0677 -10.683 -2.52811 GPRESSAVG: 2508400 -41.8668 2.55358 17.4032 1.18921 41.6622 -9.7863 18.7891 -11.3029 -1.95925 TIMING: 2508400 CPU: 7834.08, 0.00317713/step Wall: 7834.08, 0.00317714/step, 2.19893 hours remaining, 235.023438 MB of memory in use. ENERGY: 2508400 3958.3248 20371.8265 14493.5803 250.6311 -203324.6286 2724.6704 0.0000 0.0000 52030.7042 -109494.8912 299.0212 -161525.5955 -109132.6847 298.1657 -195.4471 -164.2812 763093.8937 -0.6371 -0.7213 PRESSURE: 2508600 -43.9865 18.3899 -46.7633 18.3912 5.55206 46.3935 -46.7635 46.3934 124.561 GPRESSURE: 2508600 134.827 -119.86 -33.4466 135.81 -11.4592 -10.0037 -53.1462 -177.53 53.8216 PRESSAVG: 2508600 22.2304 -52.0152 49.6748 -52.0152 6.49222 16.7956 49.6747 16.7956 3.7421 GPRESSAVG: 2508600 21.1925 -51.7474 50.0573 -52.183 6.98308 16.4779 49.1885 16.9101 3.99768 TIMING: 2508600 CPU: 7834.71, 0.00311511/step Wall: 7834.71, 0.00311511/step, 2.15583 hours remaining, 235.089844 MB of memory in use. ENERGY: 2508600 3879.5908 20492.6253 14448.8090 257.6301 -203148.8864 2720.9032 0.0000 0.0000 51911.9505 -109437.3775 298.3387 -161349.3280 -109076.8089 298.7881 28.7090 59.0632 762074.6470 10.8216 10.7244 PRESSURE: 2508800 97.0729 -91.3024 -25.7934 -91.3018 -88.6197 213.299 -25.7932 213.299 154.122 GPRESSURE: 2508800 66.2852 -109.654 -76.35 -28.9996 12.4428 199.574 117.057 103.097 169.831 PRESSAVG: 2508800 25.6459 -15.3436 -3.58459 -15.3436 10.5825 -31.3593 -3.58452 -31.3593 -0.164791 GPRESSAVG: 2508800 26.62 -14.8523 -4.88086 -14.1917 9.77817 -30.8337 -4.99887 -36.0419 -0.265447 TIMING: 2508800 CPU: 7835.33, 0.00312232/step Wall: 7835.33, 0.00312232/step, 2.16065 hours remaining, 235.089844 MB of memory in use. ENERGY: 2508800 4000.5224 20571.6894 14518.0037 256.2892 -203040.3539 2430.1346 0.0000 0.0000 51818.5038 -109445.2107 297.8017 -161263.7145 -109085.6581 298.4736 54.1916 82.8529 759664.3707 12.0212 12.0442 PRESSURE: 2509000 70.0889 -114.145 -178.594 -114.145 -189.929 -80.1507 -178.594 -80.1502 -230.919 GPRESSURE: 2509000 99.7056 -55.7345 -128.466 -149.783 -21.4738 -122.214 -189.92 -30.0423 -324.99 PRESSAVG: 2509000 42.7098 -35.9781 -26.315 -35.9781 -41.6247 5.68729 -26.315 5.68727 0.763096 GPRESSAVG: 2509000 42.5419 -36.3438 -23.6447 -35.0704 -40.9343 4.95907 -26.3586 10.9646 -0.0498227 TIMING: 2509000 CPU: 7835.95, 0.00310425/step Wall: 7835.95, 0.00310425/step, 2.14797 hours remaining, 235.089844 MB of memory in use. ENERGY: 2509000 4053.4273 20488.1591 14437.4256 242.6206 -203290.0845 2782.0225 0.0000 0.0000 51821.8702 -109464.5592 297.8210 -161286.4294 -109090.8052 298.0828 -116.9196 -82.2526 761436.3027 0.6161 0.5192 PRESSURE: 2509200 135.81 -217.318 69.411 -217.319 -245.106 -138.977 69.4118 -138.975 101.904 GPRESSURE: 2509200 163.499 -290.625 100.829 -198.195 -227.003 -147.501 126.374 -202.652 141.624 PRESSAVG: 2509200 -15.607 -56.6775 -16.5687 -56.6775 -43.5786 2.42273 -16.5687 2.42271 19.7811 GPRESSAVG: 2509200 -15.8086 -58.5142 -17.5972 -55.7743 -43.7887 2.4202 -16.481 0.905579 20.5532 TIMING: 2509200 CPU: 7836.57, 0.00308911/step Wall: 7836.57, 0.00308911/step, 2.13732 hours remaining, 235.089844 MB of memory in use. ENERGY: 2509200 4005.5990 20407.7959 14529.7561 255.9801 -203188.9446 2752.5795 0.0000 0.0000 52007.7633 -109229.4707 298.8893 -161237.2340 -108869.2253 298.2420 -2.4640 26.0400 762225.8995 -13.1348 -13.0147 PRESSURE: 2509400 65.2058 -85.8406 104.382 -85.8407 -149.077 -20.8664 104.382 -20.8656 -422.999 GPRESSURE: 2509400 37.23 -17.7429 132.98 -116.742 -70.9843 22.9585 134.872 -30.4964 -402.959 PRESSAVG: 2509400 43.3048 -33.1631 -25.5169 -33.1631 30.9648 -11.6738 -25.5168 -11.6737 13.9515 GPRESSAVG: 2509400 43.0759 -31.5076 -26.0839 -36.3757 31.6761 -10.0677 -24.7269 -13.2507 13.4583 TIMING: 2509400 CPU: 7837.19, 0.00310187/step Wall: 7837.19, 0.00310187/step, 2.14598 hours remaining, 235.089844 MB of memory in use. ENERGY: 2509400 4016.5288 20434.2213 14364.3902 247.0290 -203096.4966 2763.8544 0.0000 0.0000 51988.9801 -109281.4928 298.7814 -161270.4729 -108928.9346 298.9003 -168.9567 -145.5711 763268.2375 29.4070 29.4034 PRESSURE: 2509600 -25.9905 -4.75454 -48.5916 -4.754 -6.75108 -41.9464 -48.591 -41.9467 228.361 GPRESSURE: 2509600 62.7851 70.9626 -39.9032 100.247 -33.8845 -48.9326 -33.5268 -0.762119 261.105 PRESSAVG: 2509600 -22.0066 -82.4853 8.37843 -82.4853 -11.8117 -33.7219 8.37848 -33.7219 -29.6432 GPRESSAVG: 2509600 -21.8714 -82.4065 8.31292 -81.1234 -12.9629 -34.5075 9.29292 -36.0496 -28.4422 TIMING: 2509600 CPU: 7837.82, 0.00313238/step Wall: 7837.82, 0.00313238/step, 2.16691 hours remaining, 235.089844 MB of memory in use. ENERGY: 2509600 3953.6877 20371.7967 14463.7345 250.6015 -203229.1128 2847.5125 0.0000 0.0000 52087.7176 -109254.0621 299.3488 -161341.7797 -108889.0973 298.2655 65.2064 96.6685 762952.1368 -21.1538 -21.0922 PRESSURE: 2509800 33.8903 -140.199 -176.299 -140.199 -300.339 -107.871 -176.298 -107.871 18.1184 GPRESSURE: 2509800 75.6553 -125.354 -132.908 -134.262 -281.269 -117.885 -139.777 -58.7818 49.3733 PRESSAVG: 2509800 8.47326 -57.3282 -36.6502 -57.3282 43.2271 12.0349 -36.6502 12.0349 16.983 GPRESSAVG: 2509800 8.10635 -57.4006 -38.1167 -57.7454 43.6967 13.5413 -38.0989 15.1828 16.2741 TIMING: 2509800 CPU: 7838.44, 0.00311738/step Wall: 7838.44, 0.00311738/step, 2.15636 hours remaining, 235.089844 MB of memory in use. ENERGY: 2509800 3952.9143 20451.4327 14349.5048 256.0156 -203446.6948 2731.1977 0.0000 0.0000 52130.4198 -109575.2101 299.5942 -161705.6298 -109204.7451 298.7910 -82.7769 -52.0800 762431.9124 22.8945 22.6924 PRESSURE: 2510000 -44.2889 -187.584 -16.239 -187.584 -229.172 -43.2104 -16.2397 -43.2113 69.5464 GPRESSURE: 2510000 -54.6283 -211.997 79.5126 -202.391 -177.585 -38.0607 -95.0134 -49.9272 97.7221 PRESSAVG: 2510000 -8.15155 -40.4195 -26.211 -40.4194 11.6461 -21.6558 -26.211 -21.6558 3.24909 GPRESSAVG: 2510000 -6.77519 -39.1665 -24.8431 -39.2153 10.8189 -25.6091 -28.8431 -21.7294 2.80826 TIMING: 2510000 CPU: 7839.07, 0.0031329/step Wall: 7839.07, 0.0031329/step, 2.16692 hours remaining, 235.089844 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: 2510000 3983.8577 20466.3447 14431.5477 257.6489 -203046.0282 2572.7198 0.0000 0.0000 51945.0437 -109388.8657 298.5289 -161333.9093 -109027.0076 298.4212 -67.9714 -44.8303 762457.4019 2.2479 2.2840 PRESSURE: 2510200 368.276 212.693 -189.438 212.692 279.235 -68.6871 -189.438 -68.6874 200.428 GPRESSURE: 2510200 364.258 100.398 -71.5786 125.237 325.282 -130.094 -118.555 -64.6934 243.735 PRESSAVG: 2510200 0.277243 -41.7026 6.47709 -41.7025 -49.4427 -51.8622 6.47714 -51.8622 12.6619 GPRESSAVG: 2510200 -1.47559 -41.0478 5.56773 -43.237 -48.1836 -49.8413 9.52274 -51.9514 13.0913 TIMING: 2510200 CPU: 7839.69, 0.00311977/step Wall: 7839.69, 0.00311977/step, 2.15767 hours remaining, 235.089844 MB of memory in use. ENERGY: 2510200 4067.9086 20579.0087 14391.4741 242.5505 -203477.2163 3099.6006 0.0000 0.0000 51971.4234 -109125.2504 298.6805 -161096.6738 -108769.0395 299.2509 282.6462 311.0918 763946.3856 -12.1679 -12.1893 PRESSURE: 2510400 -139.485 -32.757 175.723 -32.7563 188.563 107.513 175.724 107.513 -217.841 GPRESSURE: 2510400 -15.9434 -13.0423 212.587 -9.65165 151.643 179.233 175.71 237.085 -217.943 PRESSAVG: 2510400 4.99615 -39.2832 18.054 -39.2832 -19.7441 21.1104 18.0541 21.1105 7.21383 GPRESSAVG: 2510400 6.33894 -40.2402 18.8404 -39.5867 -19.7745 21.562 17.7298 21.0867 5.79415 TIMING: 2510400 CPU: 7840.31, 0.00309268/step Wall: 7840.31, 0.00309268/step, 2.13876 hours remaining, 235.089844 MB of memory in use. ENERGY: 2510400 4010.4495 20636.2533 14393.0907 262.1923 -202803.7416 2381.5873 0.0000 0.0000 52153.6408 -108966.5278 299.7277 -161120.1685 -108595.9586 299.4315 -56.2547 -27.4143 763595.8722 -2.5114 -2.5472 PRESSURE: 2510600 -151.396 -302.102 123.317 -302.102 -420.199 147.77 123.316 147.77 -570.556 GPRESSURE: 2510600 -115.873 -286.643 87.8098 -337.839 -398.417 150.641 208.467 53.9758 -556.021 PRESSAVG: 2510600 -39.7121 9.5521 25.7639 9.55204 40.5594 -10.578 25.7639 -10.578 8.7531 GPRESSAVG: 2510600 -39.7677 10.9952 26.102 9.42857 40.2771 -11.2372 26.0297 -10.6881 9.08097 TIMING: 2510600 CPU: 7840.93, 0.00308962/step Wall: 7840.93, 0.00308962/step, 2.13647 hours remaining, 235.089844 MB of memory in use. ENERGY: 2510600 3990.5824 20563.7762 14508.4402 250.4806 -202985.6628 2515.7335 0.0000 0.0000 52169.4982 -108987.1518 299.8188 -161156.6500 -108631.1218 299.8170 -380.7169 -356.7703 763010.8000 3.2001 3.1968 PRESSURE: 2510800 -65.7572 390.216 -14.7417 390.216 33.4954 37.0202 -14.7419 37.0204 -117.138 GPRESSURE: 2510800 -105.344 343.661 -2.86656 386.44 118.409 48.244 -77.8377 -47.3511 -87.6932 PRESSAVG: 2510800 -43.9195 -41.3972 46.5616 -41.3972 44.588 9.55827 46.5616 9.55828 3.19826 GPRESSAVG: 2510800 -44.6693 -44.9472 47.1582 -38.9818 44.4972 8.41075 42.4772 10.5749 4.4707 TIMING: 2510800 CPU: 7841.55, 0.00309175/step Wall: 7841.55, 0.00309175/step, 2.13778 hours remaining, 235.089844 MB of memory in use. ENERGY: 2510800 4041.3863 20359.1043 14458.0806 247.5643 -202891.5116 2543.1795 0.0000 0.0000 52010.1473 -109232.0494 298.9030 -161242.1967 -108872.2191 299.2627 -49.7998 -24.8760 762345.0326 1.2889 1.4329 PRESSURE: 2511000 -318.327 85.7591 46.4737 85.7591 -49.3975 -83.2905 46.4733 -83.2919 -259 GPRESSURE: 2511000 -209.201 101.739 93.1936 102.416 -19.4839 -79.7066 44.8003 -31.4379 -314.215 PRESSAVG: 2511000 59.512 20.0523 -32.9045 20.0524 -44.4823 -2.17487 -32.9044 -2.17492 13.5811 GPRESSAVG: 2511000 60.0719 19.89 -33.6489 19.2365 -44.7439 -1.14275 -29.591 -3.53877 13.9115 TIMING: 2511000 CPU: 7842.17, 0.00310192/step Wall: 7842.17, 0.00310192/step, 2.14463 hours remaining, 235.089844 MB of memory in use. ENERGY: 2511000 4052.4041 20556.3615 14378.4251 264.6076 -202843.6192 2588.1053 0.0000 0.0000 52041.1690 -108962.5466 299.0813 -161003.7157 -108614.8556 299.4717 -208.9080 -180.9667 761932.0334 9.5369 9.7465 PRESSURE: 2511200 189.156 2.35673 20.0786 2.35693 -6.08941 176.471 20.0788 176.471 -3.27195 GPRESSURE: 2511200 172.43 -11.675 18.4572 -98.2211 27.5882 117.239 122.833 130.486 72.4808 PRESSAVG: 2511200 -6.29111 6.16464 -44.605 6.1646 4.14304 -4.81311 -44.605 -4.81306 10.0071 GPRESSAVG: 2511200 -7.30464 8.47982 -44.1598 4.28616 5.75625 -5.21985 -44.1936 -1.90165 9.69043 TIMING: 2511200 CPU: 7842.79, 0.00309693/step Wall: 7842.79, 0.00309693/step, 2.14101 hours remaining, 235.089844 MB of memory in use. ENERGY: 2511200 3922.8367 20495.1267 14375.2999 256.2209 -202861.1284 2759.5509 0.0000 0.0000 52187.1603 -108864.9329 299.9203 -161052.0933 -108505.1344 299.7466 59.9316 90.8331 761452.0933 2.6197 2.7140 PRESSURE: 2511400 427.061 -217.705 -115.026 -217.704 384.752 39.5271 -115.027 39.5265 94.2085 GPRESSURE: 2511400 400.669 -195.966 -116.874 -166.296 386.398 130.488 -150.241 -47.0243 231.22 PRESSAVG: 2511400 -47.6946 -36.0639 -35.371 -36.0639 66.5731 -18.4714 -35.371 -18.4715 15.6136 GPRESSAVG: 2511400 -46.1734 -36.5719 -35.3877 -36.0876 65.2974 -17.3764 -34.8454 -20.2279 15.2022 TIMING: 2511400 CPU: 7843.41, 0.00310705/step Wall: 7843.41, 0.00310705/step, 2.14783 hours remaining, 235.332031 MB of memory in use. ENERGY: 2511400 3998.1993 20416.6781 14398.4294 244.2800 -203228.6046 2955.7299 0.0000 0.0000 52432.8807 -108782.4072 301.3325 -161215.2880 -108424.3271 300.0906 302.0073 339.4288 759222.8988 11.4974 11.4421 PRESSURE: 2511600 -42.1462 -151.267 -36.025 -151.268 -49.7495 125.027 -36.0245 125.026 104.306 GPRESSURE: 2511600 10.033 -49.2783 -76.8472 -106.842 -65.5741 150.679 44.3006 47.8104 154.437 PRESSAVG: 2511600 -1.46637 -40.1037 18.467 -40.1036 32.7656 -13.7594 18.4671 -13.7594 -12.3539 GPRESSAVG: 2511600 -2.33622 -39.847 17.0043 -38.8432 34.1331 -14.2004 19.0216 -12.9416 -13.0192 TIMING: 2511600 CPU: 7844.03, 0.00309921/step Wall: 7844.03, 0.00309921/step, 2.14224 hours remaining, 235.332031 MB of memory in use. ENERGY: 2511600 4009.9518 20404.3588 14414.0580 244.9266 -202681.6412 2684.9824 0.0000 0.0000 52214.9276 -108708.4359 300.0799 -160923.3635 -108341.4891 300.2865 4.1367 32.9653 761548.0300 6.3151 6.2592 PRESSURE: 2511800 -129.529 -91.9689 -236.051 -91.9691 14.8567 291.436 -236.052 291.436 -76.8464 GPRESSURE: 2511800 -95.0723 -92.5605 -173.199 -12.6914 88.6597 273.305 -290.232 270.484 -101.307 PRESSAVG: 2511800 19.1686 -20.7856 -2.73705 -20.7857 0.193772 64.464 -2.737 64.4642 18.9047 GPRESSAVG: 2511800 19.5554 -21.3846 -2.69639 -19.96 -0.887402 65.8964 -5.555 62.4282 19.7199 TIMING: 2511800 CPU: 7844.65, 0.00309377/step Wall: 7844.65, 0.00309377/step, 2.13831 hours remaining, 235.332031 MB of memory in use. ENERGY: 2511800 3974.7316 20423.5622 14383.7835 249.0567 -203215.9042 2762.5374 0.0000 0.0000 52585.7169 -108836.5160 302.2108 -161422.2328 -108470.5469 300.2359 -63.8395 -35.9067 761753.5913 12.7557 12.7960 PRESSURE: 2512000 -231.391 50.6278 24.0256 50.6282 -62.6332 190.716 24.0249 190.715 -200.781 GPRESSURE: 2512000 -211.516 25.4826 -4.09585 -45.5869 44.4309 87.119 -17.974 138.195 -249.537 PRESSAVG: 2512000 -0.189167 -26.9696 -17.4122 -26.9695 -1.54889 41.2283 -17.4122 41.2283 -13.4678 GPRESSAVG: 2512000 -1.35122 -26.2147 -17.3705 -28.945 -1.97229 39.5691 -16.3589 42.4066 -12.3552 TIMING: 2512000 CPU: 7845.27, 0.0031042/step Wall: 7845.27, 0.0031042/step, 2.14535 hours remaining, 235.332031 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: 2512000 4019.3112 20582.9636 14355.5024 263.2653 -203102.7816 2852.0910 0.0000 0.0000 52339.0521 -108690.5960 300.7933 -161029.6481 -108333.0757 300.0007 -164.9351 -138.8739 763047.3111 -5.0686 -5.2262 PRESSURE: 2512200 -173.361 -86.1911 20.2632 -86.1904 276.929 120.861 20.2634 120.861 226.101 GPRESSURE: 2512200 -199.932 -143.518 21.6554 -99.9438 336.666 142.014 73.9316 71.8103 266.912 PRESSAVG: 2512200 -33.8884 -31.1558 12.5655 -31.1558 51.0897 10.6939 12.5655 10.6939 -3.34101 GPRESSAVG: 2512200 -34.1342 -29.0237 13.4934 -31.9244 52.224 10.9211 12.4068 8.39139 -4.0296 TIMING: 2512200 CPU: 7845.89, 0.00310299/step Wall: 7845.89, 0.00310299/step, 2.14434 hours remaining, 235.332031 MB of memory in use. ENERGY: 2512200 3893.0104 20351.5276 14419.0760 242.1389 -203007.9904 2929.4206 0.0000 0.0000 52431.1999 -108741.6170 301.3228 -161172.8169 -108367.0447 300.2688 109.8894 134.5488 763167.6890 4.6201 4.6867 LDB: ============= START OF LOAD BALANCING ============== 7858.36 LDB: ============== END OF LOAD BALANCING =============== 7858.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7858.36 LDB: ============= START OF LOAD BALANCING ============== 7858.68 LDB: Largest compute 7030 load 0.029060 is 14.9% of average load 0.195167 LDB: Average compute 0.004395 is 2.3% of average load 0.195167 LDB: TIME 7858.68 LOAD: AVG 0.195167 MAX 0.214929 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.195 MB LDB: TIME 7858.68 LOAD: AVG 0.195167 MAX 0.214929 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.234 MB LDB: TIME 7858.68 LOAD: AVG 0.195167 MAX 0.214929 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.234 MB LDB: ============== END OF LOAD BALANCING =============== 7858.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7858.69 PRESSURE: 2512400 -1.1477 -93.6237 -30.188 -93.6239 -482.952 -100.329 -30.187 -100.331 -122.793 GPRESSURE: 2512400 -26.276 -152.418 -98.6492 -122.453 -322.995 -65.8072 -105.253 -58.6188 -174.896 PRESSAVG: 2512400 17.2194 -3.62245 -15.1733 -3.62243 12.3543 -47.4528 -15.1733 -47.4528 -16.1864 GPRESSAVG: 2512400 18.4405 -5.97099 -14.7419 -3.36405 10.9108 -47.8896 -15.4196 -46.9339 -16.6469 TIMING: 2512400 CPU: 7846.52, 0.00317634/step Wall: 7846.52, 0.00317634/step, 2.19485 hours remaining, 234.511719 MB of memory in use. ENERGY: 2512400 3950.0996 20550.0248 14403.8793 253.3125 -202898.8322 2652.1756 0.0000 0.0000 52309.8565 -108779.4840 300.6255 -161089.3405 -108420.5807 299.8530 -202.2976 -174.7222 762765.6909 4.4625 4.2348 PRESSURE: 2512600 -49.5587 44.3212 154.437 44.3214 255.056 -201.313 154.437 -201.313 52.4104 GPRESSURE: 2512600 1.29028 33.2413 94.5409 153.785 170.998 -252.324 53.6935 -189.234 163.655 PRESSAVG: 2512600 21.2808 -61.1956 2.48006 -61.1956 -2.87169 -5.61175 2.4801 -5.61175 33.1332 GPRESSAVG: 2512600 20.4356 -60.3185 2.21143 -60.9307 -1.50191 -2.92126 2.29307 -4.72951 32.2753 TIMING: 2512600 CPU: 7847.14, 0.00310118/step Wall: 7847.14, 0.00310118/step, 2.14274 hours remaining, 234.511719 MB of memory in use. ENERGY: 2512600 4002.0993 20537.2381 14449.6524 233.9460 -203273.8517 2966.7154 0.0000 0.0000 52248.2260 -108835.9746 300.2713 -161084.2006 -108477.4153 299.9160 85.9691 111.9811 763422.3900 17.1808 17.0697 PRESSURE: 2512800 300.605 -92.3804 -145.288 -92.3793 189.13 -49.4125 -145.289 -49.4127 8.32991 GPRESSURE: 2512800 311.172 13.5797 -136.205 12.4228 207.7 -120.204 -87.7874 11.2499 67.3815 PRESSAVG: 2512800 4.09542 -25.5889 14.3988 -25.589 -0.484712 6.81083 14.3987 6.81071 -23.4472 GPRESSAVG: 2512800 3.37059 -26.8544 15.265 -24.7175 -0.277018 5.94064 16.383 7.09246 -22.686 TIMING: 2512800 CPU: 7847.76, 0.00310951/step Wall: 7847.76, 0.00310951/step, 2.14833 hours remaining, 234.511719 MB of memory in use. ENERGY: 2512800 4004.3772 20542.1101 14470.9148 243.9201 -202922.3788 2647.5661 0.0000 0.0000 52018.9251 -108994.5654 298.9535 -161013.4905 -108627.1681 299.4183 166.0215 195.4176 763664.3415 -6.6122 -6.5308 PRESSURE: 2513000 -47.4428 -66.9151 43.4994 -66.9143 -13.2714 -75.2202 43.4987 -75.2189 47.4108 GPRESSURE: 2513000 13.8656 -135.92 47.5402 -153.876 -69.3413 -51.9348 -49.683 111.375 126.298 PRESSAVG: 2513000 -0.235323 20.9641 17.9692 20.9641 -26.4697 -2.64161 17.9692 -2.64169 -1.84599 GPRESSAVG: 2513000 0.991312 21.8612 15.8347 22.0228 -27.8138 -2.53857 17.1613 -4.35048 -1.99505 TIMING: 2513000 CPU: 7848.39, 0.00311278/step Wall: 7848.39, 0.00311278/step, 2.15041 hours remaining, 234.511719 MB of memory in use. ENERGY: 2513000 3923.5044 20527.3822 14439.9634 262.6956 -203141.1344 2709.1927 0.0000 0.0000 52129.7159 -109148.6801 299.5902 -161278.3960 -108782.4245 299.6479 -4.4345 23.6074 763301.1634 -9.5170 -9.6058 PRESSURE: 2513200 51.45 22.7306 -57.4427 22.7307 -122.688 33.584 -57.4437 33.5839 132.591 GPRESSURE: 2513200 96.7484 -134.673 43.8661 23.8461 -92.2839 -43.662 -102.938 75.2945 126.026 PRESSAVG: 2513200 -24.9247 18.6914 -22.3232 18.6912 -6.29149 -58.8159 -22.3232 -58.816 -1.38183 GPRESSAVG: 2513200 -25.2486 17.8499 -21.338 17.2375 -5.32931 -58.3161 -22.4627 -56.8728 -2.13936 TIMING: 2513200 CPU: 7849.01, 0.00311621/step Wall: 7849.01, 0.00311621/step, 2.15261 hours remaining, 234.511719 MB of memory in use. ENERGY: 2513200 4008.2059 20537.0156 14409.1643 244.7080 -203045.0083 2644.7833 0.0000 0.0000 52068.2740 -109132.8572 299.2371 -161201.1312 -108764.8020 299.2328 20.4509 43.4969 764376.9197 -10.8660 -10.9058 PRESSURE: 2513400 151.102 -41.4237 -49.4049 -41.4243 48.917 -78.8731 -49.4048 -78.8721 366.523 GPRESSURE: 2513400 233.748 -18.7216 12.563 -106.577 79.4679 -113.462 -53.6408 -165.697 346.897 PRESSAVG: 2513400 51.3036 26.1434 9.92179 26.1434 9.85545 32.8771 9.92187 32.8771 3.89939 GPRESSAVG: 2513400 51.1494 27.4276 9.42979 27.2487 9.29558 31.7783 11.5703 32.4795 5.10713 TIMING: 2513400 CPU: 7849.63, 0.0031011/step Wall: 7849.63, 0.0031011/step, 2.142 hours remaining, 234.511719 MB of memory in use. ENERGY: 2513400 4013.0586 20600.8440 14473.8715 251.1918 -203309.5404 2648.5045 0.0000 0.0000 52147.6522 -109174.4177 299.6933 -161322.0699 -108814.5227 299.4387 188.8475 220.0378 761784.6487 21.6861 21.8507 PRESSURE: 2513600 71.9691 -182.357 142.448 -182.357 146.223 10.2141 142.447 10.2134 -106.056 GPRESSURE: 2513600 -41.435 -137.376 138.241 -281.647 222.539 0.951203 103.628 -15.402 15.5526 PRESSAVG: 2513600 12.4399 6.6306 -30.6934 6.63065 -10.43 -22.6165 -30.6934 -22.6165 27.093 GPRESSAVG: 2513600 10.8907 5.31839 -31.6661 7.49793 -8.91987 -22.4871 -32.074 -23.4219 27.1662 TIMING: 2513600 CPU: 7850.25, 0.0031085/step Wall: 7850.25, 0.0031085/step, 2.14694 hours remaining, 234.511719 MB of memory in use. ENERGY: 2513600 4010.5452 20430.7705 14428.9076 243.2450 -203326.2148 2893.8208 0.0000 0.0000 52067.1632 -109251.7625 299.2307 -161318.9257 -108893.7959 299.0963 37.3786 65.5523 763494.2171 9.7009 9.7123 PRESSURE: 2513800 -275.498 -148.629 91.6943 -148.629 -268.05 -189.844 91.6943 -189.843 -170.074 GPRESSURE: 2513800 -250.47 -149.773 57.3459 -282.834 -175.592 -174.404 81.4704 -215.625 -201.716 PRESSAVG: 2513800 -14.0145 20.0551 44.7829 20.0552 -15.1458 -14.5159 44.7829 -14.5159 11.4334 GPRESSAVG: 2513800 -11.9948 19.3709 47.4098 17.7104 -16.7061 -14.5486 43.491 -14.6885 10.2027 TIMING: 2513800 CPU: 7850.87, 0.00311013/step Wall: 7850.87, 0.00311013/step, 2.14789 hours remaining, 234.511719 MB of memory in use. ENERGY: 2513800 4049.4368 20693.5285 14393.0260 243.1508 -203026.1778 2700.5557 0.0000 0.0000 51960.7105 -108985.7696 298.6189 -160946.4801 -108627.9841 299.4083 -237.8737 -209.2594 764618.8310 -5.9090 -6.1661 PRESSURE: 2514000 -201.524 4.59068 -84.8698 4.59087 83.0747 -77.827 -84.87 -77.8261 357.764 GPRESSURE: 2514000 -182.547 76.729 -184.144 -19.3611 120.882 -102.358 30.5559 -46.6244 387.653 PRESSAVG: 2514000 -5.77828 -35.073 69.5164 -35.0729 12.5591 -17.5314 69.5164 -17.5313 7.99408 GPRESSAVG: 2514000 -4.8452 -32.1543 68.2519 -35.2621 11.0856 -16.8474 70.3919 -17.9786 8.87811 TIMING: 2514000 CPU: 7851.5, 0.00311698/step Wall: 7851.5, 0.00311698/step, 2.15245 hours remaining, 234.511719 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: 2514000 3943.9414 20615.5139 14519.7952 251.9132 -203010.8256 2542.2338 0.0000 0.0000 52322.1361 -108815.2920 300.6960 -161137.4281 -108448.3233 299.7473 79.7716 108.6627 762641.3099 4.9250 5.0395 PRESSURE: 2514200 139.534 -71.6454 -78.1791 -71.6449 -334.132 20.3508 -78.1791 20.3503 -211.758 GPRESSURE: 2514200 172.353 -78.1905 -127.981 16.0663 -296.414 -49.5356 1.84764 -76.9866 -192.781 PRESSAVG: 2514200 21.3069 -16.3055 -5.26507 -16.3056 -16.5524 10.4895 -5.26505 10.4895 1.00392 GPRESSAVG: 2514200 19.5225 -18.9354 -5.99851 -15.0461 -14.7255 10.38 -5.81513 9.38905 1.06267 TIMING: 2514200 CPU: 7852.12, 0.00311218/step Wall: 7852.12, 0.00311218/step, 2.14896 hours remaining, 234.511719 MB of memory in use. ENERGY: 2514200 3984.6551 20708.0092 14446.7645 249.6022 -202884.9042 2585.7052 0.0000 0.0000 52329.2627 -108580.9053 300.7370 -160910.1680 -108226.1174 299.9610 -135.4520 -105.6143 762841.8021 1.9195 1.9532 PRESSURE: 2514400 7.62047 41.3865 -95.951 41.3867 131.796 -216.907 -95.9517 -216.907 91.8984 GPRESSURE: 2514400 42.6536 69.7767 -5.93593 4.26699 162.746 -252.817 -159.185 -107.328 154.089 PRESSAVG: 2514400 -9.28036 -14.0014 27.0483 -14.0015 -1.00276 -19.7971 27.0483 -19.7972 15.2736 GPRESSAVG: 2514400 -7.4169 -13.494 28.9421 -13.0988 -0.901207 -19.7853 26.9636 -16.4565 14.1226 TIMING: 2514400 CPU: 7852.75, 0.00312711/step Wall: 7852.75, 0.00312711/step, 2.15909 hours remaining, 234.511719 MB of memory in use. ENERGY: 2514400 3923.3956 20421.1485 14521.9486 258.2505 -202658.6339 2764.6018 0.0000 0.0000 52186.5495 -108582.7393 299.9168 -160769.2889 -108214.1747 300.0624 77.1051 119.8296 763342.0766 1.6635 1.9348 PRESSURE: 2514600 69.7682 -176.049 69.65 -176.049 -75.3044 -155.749 69.6499 -155.748 -244.789 GPRESSURE: 2514600 165.415 -176.416 39.5211 -121.773 -74.2057 -109.187 -38.2693 -51.2092 -257.038 PRESSAVG: 2514600 -27.6459 -1.29477 12.0767 -1.29477 25.217 -19.2897 12.0767 -19.2897 12.1951 GPRESSAVG: 2514600 -29.14 -2.48329 11.2362 -1.86451 25.3412 -19.0012 11.9313 -21.6937 12.9256 TIMING: 2514600 CPU: 7853.37, 0.00311448/step Wall: 7853.37, 0.00311448/step, 2.1502 hours remaining, 234.511719 MB of memory in use. ENERGY: 2514600 3980.1719 20448.1511 14494.4902 260.6978 -202746.5245 2677.2834 0.0000 0.0000 52237.4735 -108648.2566 300.2095 -160885.7301 -108285.5143 300.1598 -83.4417 -55.2762 763156.8198 3.2554 3.0422 PRESSURE: 2514800 -149.004 3.52936 -378.637 3.52928 98.8575 -109.477 -378.636 -109.477 362.391 GPRESSURE: 2514800 -71.7535 42.94 -346.248 -54.4835 89.3753 -44.6576 -351.62 69.746 396.123 PRESSAVG: 2514800 -25.0732 -0.652113 10.0293 -0.652116 22.1189 17.448 10.0293 17.4479 -10.2924 GPRESSAVG: 2514800 -24.2356 -0.955434 10.8172 0.512089 21.5769 18.5415 11.3608 18.3242 -10.4884 TIMING: 2514800 CPU: 7853.99, 0.00311742/step Wall: 7853.99, 0.00311742/step, 2.15206 hours remaining, 234.511719 MB of memory in use. ENERGY: 2514800 3928.3886 20485.8628 14433.2715 256.7907 -203217.0403 2959.4846 0.0000 0.0000 52470.1400 -108683.1021 301.5466 -161153.2421 -108302.9108 300.1743 104.0813 137.9150 763917.1460 -4.4156 -4.3824 PRESSURE: 2515000 134.838 -60.1544 -74.744 -60.1542 400.567 -71.9764 -74.7445 -71.9765 -135.045 GPRESSURE: 2515000 144.106 -52.7452 -130.865 -198.842 402.333 -161.081 6.76016 -80.3099 -62.3812 PRESSAVG: 2515000 -53.005 13.1732 -33.9972 13.1731 45.8564 -6.95823 -33.9972 -6.95828 5.98046 GPRESSAVG: 2515000 -53.7428 14.7001 -34.394 12.5837 45.7043 -8.20802 -34.175 -3.76393 7.17266 TIMING: 2515000 CPU: 7854.62, 0.00315428/step Wall: 7854.62, 0.00315428/step, 2.17733 hours remaining, 234.511719 MB of memory in use. ENERGY: 2515000 4026.0468 20593.6242 14455.8256 257.3790 -203341.8685 2960.6193 0.0000 0.0000 52348.6278 -108699.7459 300.8483 -161048.3737 -108345.7846 300.6389 133.4534 161.3527 763127.1011 -0.3894 -0.2886 PRESSURE: 2515200 -57.1575 74.8782 133.787 74.8785 48.8647 89.4724 133.788 89.4708 396.795 GPRESSURE: 2515200 36.594 78.1507 58.1524 226.95 97.6502 97.5986 169.729 94.0641 350.128 PRESSAVG: 2515200 10.7865 -0.125115 -53.558 -0.12508 -11.7395 -30.5491 -53.5581 -30.5491 31.1837 GPRESSAVG: 2515200 11.3121 -2.08108 -52.5751 0.398946 -10.8534 -30.766 -52.8572 -32.8808 29.871 TIMING: 2515200 CPU: 7855.25, 0.00313431/step Wall: 7855.25, 0.00313431/step, 2.16337 hours remaining, 234.511719 MB of memory in use. ENERGY: 2515200 4047.5241 20391.4746 14440.0484 245.2583 -203337.4482 3069.0024 0.0000 0.0000 52501.1918 -108642.9486 301.7251 -161144.1403 -108260.1017 300.5785 129.5008 161.4574 761758.6233 10.0769 10.1099 PRESSURE: 2515400 -50.0796 -25.2815 104.419 -25.2806 -555.362 37.1108 104.42 37.1098 31.2759 GPRESSURE: 2515400 38.897 -52.7856 -26.8284 55.7946 -594.498 20.209 -89.0866 21.358 71.7265 PRESSAVG: 2515400 -26.0051 13.2557 29.5032 13.2557 -17.2625 25.5573 29.5032 25.5574 8.9736 GPRESSAVG: 2515400 -25.2798 13.8725 29.4487 13.5327 -17.6723 26.3699 28.1542 24.406 9.46234 TIMING: 2515400 CPU: 7855.87, 0.00309234/step Wall: 7855.87, 0.00309234/step, 2.13423 hours remaining, 234.511719 MB of memory in use. ENERGY: 2515400 3985.0894 20570.3516 14430.9526 250.2870 -202451.6879 2422.1997 0.0000 0.0000 52279.4001 -108513.4075 300.4504 -160792.8076 -108146.6559 300.6493 -191.3885 -161.2916 765036.8322 -11.4313 -11.1633 PRESSURE: 2515600 339.367 108.574 -71.0942 108.573 -34.7998 -86.3211 -71.0942 -86.3215 -50.9018 GPRESSURE: 2515600 318.278 157.09 -84.5792 40.3996 55.3895 -113.552 -43.8815 -75.1424 -38.7129 PRESSAVG: 2515600 13.8196 -15.2768 10.3755 -15.2768 12.4791 27.3812 10.3755 27.3811 -4.17971 GPRESSAVG: 2515600 13.823 -14.5322 10.5647 -15.8529 11.0453 26.4454 11.9599 28.513 -2.54533 TIMING: 2515600 CPU: 7856.49, 0.00309569/step Wall: 7856.49, 0.00309569/step, 2.13637 hours remaining, 234.511719 MB of memory in use. ENERGY: 2515600 3974.8614 20587.7107 14426.6361 239.1449 -203351.9942 2934.6564 0.0000 0.0000 52611.7003 -108577.2845 302.3602 -161188.9847 -108223.3116 300.8986 84.5553 111.6516 761421.5647 7.3730 7.4410 PRESSURE: 2515800 -239.673 5.09821 -70.0456 5.09864 -292.788 87.4208 -70.0461 87.4202 -295.628 GPRESSURE: 2515800 -260.28 -24.7653 -132.816 31.764 -191.548 107.71 -84.0571 84.125 -302.015 PRESSAVG: 2515800 25.0349 -36.0211 -36.9214 -36.0211 1.69789 33.1063 -36.9213 33.1064 31.9473 GPRESSAVG: 2515800 23.6259 -35.3794 -37.3854 -36.2753 3.72469 32.3809 -36.1765 31.9999 30.3091 TIMING: 2515800 CPU: 7857.11, 0.00311124/step Wall: 7857.11, 0.00311124/step, 2.14693 hours remaining, 234.511719 MB of memory in use. ENERGY: 2515800 4094.6354 20526.2922 14486.1418 240.2437 -203058.4797 2851.1490 0.0000 0.0000 51989.4335 -108870.5841 298.7840 -160860.0176 -108501.5479 300.1957 -276.0294 -251.2808 763204.5791 19.5600 19.2199 PRESSURE: 2516000 -100.876 157.25 75.804 157.25 16.64 -158.086 75.8045 -158.086 116.931 GPRESSURE: 2516000 -70.5014 149.919 5.86922 66.058 37.7947 -110.021 178.321 -212.339 152.245 PRESSAVG: 2516000 -58.6196 29.5819 -11.2187 29.5818 26.2609 16.9681 -11.2187 16.9681 23.5309 GPRESSAVG: 2516000 -57.7194 28.77 -10.1253 29.7637 24.6803 17.7511 -13.0191 18.2941 24.2315 TIMING: 2516000 CPU: 7857.73, 0.00310721/step Wall: 7857.73, 0.00310721/step, 2.14398 hours remaining, 234.511719 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: 2516000 4010.3044 20415.0627 14453.5943 258.2027 -203067.0920 2912.0040 0.0000 0.0000 52088.4702 -108929.4536 299.3532 -161017.9238 -108554.6208 299.4550 10.8985 39.8460 764670.8333 -2.9426 -2.9359 PRESSURE: 2516200 133.2 42.1769 46.7527 42.1777 -214.166 228.301 46.7537 228.301 -69.5843 GPRESSURE: 2516200 211.169 -45.145 107.618 80.4431 -181.612 250.125 106.93 271.794 -99.6727 PRESSAVG: 2516200 -41.3378 -24.8009 3.91152 -24.8009 52.2833 20.8605 3.9115 20.8605 -4.27674 GPRESSAVG: 2516200 -41.8738 -24.4423 2.69523 -24.6814 53.4361 20.9482 5.80369 19.1635 -4.70906 TIMING: 2516200 CPU: 7858.35, 0.00311283/step Wall: 7858.35, 0.00311283/step, 2.14768 hours remaining, 234.511719 MB of memory in use. ENERGY: 2516200 4040.8355 20464.5677 14411.7161 253.7466 -203751.6303 3134.5752 0.0000 0.0000 52311.9269 -109134.2623 300.6374 -161446.1893 -108758.6179 299.3139 -50.1833 -23.3716 763991.3936 2.2229 2.2844 LDB: ============= START OF LOAD BALANCING ============== 7870.83 LDB: ============== END OF LOAD BALANCING =============== 7870.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7870.83 LDB: ============= START OF LOAD BALANCING ============== 7871.15 LDB: Largest compute 7061 load 0.029685 is 15.2% of average load 0.195113 LDB: Average compute 0.004407 is 2.3% of average load 0.195113 LDB: TIME 7871.15 LOAD: AVG 0.195113 MAX 0.216039 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.031 MB LDB: TIME 7871.15 LOAD: AVG 0.195113 MAX 0.216039 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.031 MB LDB: TIME 7871.15 LOAD: AVG 0.195113 MAX 0.216039 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.031 MB LDB: ============== END OF LOAD BALANCING =============== 7871.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7871.16 PRESSURE: 2516400 -169.002 -55.3691 -205.555 -55.3684 58.9132 -43.1743 -205.555 -43.1744 -212.576 GPRESSURE: 2516400 -144.396 -86.5008 -234.277 -50.533 85.7428 -54.0181 -123.042 -149.237 -213.394 PRESSAVG: 2516400 -122.202 -9.43415 27.7287 -9.43414 87.176 -26.7898 27.7287 -26.7897 -26.7139 GPRESSAVG: 2516400 -122.366 -11.985 27.7682 -9.82428 86.863 -26.9432 27.3252 -24.0078 -26.4104 TIMING: 2516400 CPU: 7858.99, 0.00319356/step Wall: 7858.99, 0.00319356/step, 2.2032 hours remaining, 234.824219 MB of memory in use. ENERGY: 2516400 4030.7556 20423.3457 14417.1278 242.8613 -203111.9638 2690.7630 0.0000 0.0000 52158.2553 -109148.8549 299.7542 -161307.1102 -108788.8997 299.8093 -107.5548 -90.6821 763969.3260 -20.5799 -20.6378 PRESSURE: 2516600 73.8861 -50.938 136.494 -50.9377 -103.001 301.719 136.494 301.719 -288.732 GPRESSURE: 2516600 110.673 -41.575 92.8515 148.112 -47.0368 294.922 112.61 294.911 -296.463 PRESSAVG: 2516600 -60.1789 -8.06332 63.2868 -8.06329 58.7175 -31.0641 63.2868 -31.0641 16.262 GPRESSAVG: 2516600 -60.4039 -5.96171 64.7609 -8.13096 58.1269 -31.2361 64.2455 -33.2484 16.1018 TIMING: 2516600 CPU: 7859.61, 0.00309995/step Wall: 7859.61, 0.00309995/step, 2.13845 hours remaining, 234.824219 MB of memory in use. ENERGY: 2516600 3872.2804 20393.4576 14467.7089 239.5608 -202967.3626 2596.6147 0.0000 0.0000 52256.1843 -109141.5560 300.3170 -161397.7403 -108778.1145 298.8986 -105.9490 -77.6088 763742.7467 4.9335 4.6083 PRESSURE: 2516800 -13.7725 93.7302 23.1181 93.7311 196.472 37.0232 23.1187 37.0236 325.086 GPRESSURE: 2516800 113.63 11.1647 137.386 -16.5866 202.954 77.2846 -2.5052 89.3367 299.817 PRESSAVG: 2516800 -5.21947 11.7834 10.3407 11.7834 34.2968 -26.8917 10.3407 -26.8917 7.49971 GPRESSAVG: 2516800 -5.18125 10.7931 8.02594 10.0968 34.3629 -25.4848 9.87232 -27.8488 7.50952 TIMING: 2516800 CPU: 7860.23, 0.00310602/step Wall: 7860.23, 0.00310602/step, 2.14246 hours remaining, 234.824219 MB of memory in use. ENERGY: 2516800 3961.3132 20447.5340 14344.1403 253.9164 -203250.6825 2971.4652 0.0000 0.0000 52100.4566 -109171.8567 299.4220 -161272.3133 -108800.4666 299.3834 169.2619 205.4671 762916.5481 12.1923 12.2304 PRESSURE: 2517000 -76.4511 75.5559 -97.7375 75.5552 40.3608 113.661 -97.7385 113.66 -113.436 GPRESSURE: 2517000 -57.1169 53.4645 2.35149 75.4239 25.0595 88.7343 -187.958 150.258 -26.7244 PRESSAVG: 2517000 -19.7685 -61.7456 -2.29934 -61.7456 5.98982 -6.72992 -2.29934 -6.72989 22.912 GPRESSAVG: 2517000 -19.9521 -61.6492 -1.17849 -59.933 4.8528 -9.35056 -3.3248 -2.86359 24.0167 TIMING: 2517000 CPU: 7860.86, 0.0031222/step Wall: 7860.86, 0.0031222/step, 2.15345 hours remaining, 234.824219 MB of memory in use. ENERGY: 2517000 3992.8098 20455.6258 14467.8240 248.1545 -203266.4565 2892.3234 0.0000 0.0000 52167.1147 -109042.6043 299.8051 -161209.7191 -108675.1707 299.2947 -49.8420 -19.5939 764680.0062 3.0444 2.9725 PRESSURE: 2517200 -526.626 25.1591 216.887 25.1586 -93.7507 3.85436 216.888 3.85445 -12.4299 GPRESSURE: 2517200 -419.863 -14.373 206.646 -81.1308 -50.1744 -73.5004 146.621 -53.5127 -83.8053 PRESSAVG: 2517200 -43.1054 -33.497 25.0313 -33.497 50.5796 38.1683 25.0313 38.1683 19.7808 GPRESSAVG: 2517200 -41.9269 -35.6869 24.4911 -34.1633 50.8267 39.2041 25.597 35.4221 17.8732 TIMING: 2517200 CPU: 7861.48, 0.00310894/step Wall: 7861.48, 0.00310894/step, 2.14413 hours remaining, 234.824219 MB of memory in use. ENERGY: 2517200 4013.8281 20610.9376 14462.5812 244.6838 -203162.6711 2850.8563 0.0000 0.0000 52277.7344 -108702.0496 300.4409 -160979.7841 -108337.6266 299.8615 -210.9354 -184.6143 763577.4609 9.0850 8.9243 PRESSURE: 2517400 197.604 297.516 -29.748 297.517 37.0166 -60.9421 -29.7476 -60.9425 -272.676 GPRESSURE: 2517400 222.021 364.307 53.5066 231.784 112.034 -59.1421 -47.9485 21.6349 -275.704 PRESSAVG: 2517400 -35.8634 -42.6493 8.26555 -42.6493 62.7019 42.3366 8.2656 42.3366 -4.17044 GPRESSAVG: 2517400 -36.6568 -40.2384 9.73228 -43.7518 62.7635 43.2406 8.54322 42.2134 -3.76801 TIMING: 2517400 CPU: 7862.1, 0.00311237/step Wall: 7862.1, 0.00311237/step, 2.14632 hours remaining, 234.824219 MB of memory in use. ENERGY: 2517400 4002.7258 20476.3558 14504.6439 249.9168 -202867.4322 2683.8111 0.0000 0.0000 52113.1888 -108836.7899 299.4952 -160949.9788 -108478.7878 300.1540 -12.6851 19.4503 764179.1062 7.5560 7.4462 PRESSURE: 2517600 128.044 1.09944 35.0358 1.09884 35.45 146.982 35.035 146.982 -135.635 GPRESSURE: 2517600 140.256 75.2427 -17.5387 17.7269 72.1082 208.65 96.9429 62.1259 -96.7866 PRESSAVG: 2517600 -29.1596 32.1198 -19.5168 32.1198 34.7922 64.081 -19.5168 64.0809 -6.30066 GPRESSAVG: 2517600 -29.6412 30.8903 -21.8639 35.4335 35.3678 63.6833 -18.8401 65.9567 -6.0097 TIMING: 2517600 CPU: 7862.72, 0.00309177/step Wall: 7862.72, 0.00309176/step, 2.13194 hours remaining, 234.824219 MB of memory in use. ENERGY: 2517600 3971.9145 20324.3262 14534.0502 252.8520 -202659.9341 2468.8328 0.0000 0.0000 52337.4920 -108770.4664 300.7843 -161107.9584 -108414.7056 299.8620 9.2863 38.5257 762752.5456 -0.2227 -0.0944 PRESSURE: 2517800 -39.9141 -5.69319 -197.351 -5.69324 348.73 112.15 -197.352 112.15 219.49 GPRESSURE: 2517800 91.5429 -67.8171 -212.111 -42.533 265.439 22.1089 -91.4298 113.466 270.429 PRESSAVG: 2517800 -46.209 -61.9417 -0.738535 -61.9417 34.8768 37.8656 -0.738609 37.8656 -2.16777 GPRESSAVG: 2517800 -45.887 -61.776 -0.105038 -61.6919 34.3827 37.5496 -0.521795 36.8811 -2.08122 TIMING: 2517800 CPU: 7863.34, 0.00311323/step Wall: 7863.34, 0.00311323/step, 2.14657 hours remaining, 234.824219 MB of memory in use. ENERGY: 2517800 4004.1477 20615.9714 14463.0263 247.5593 -203017.3082 2756.5837 0.0000 0.0000 52189.1653 -108740.8543 299.9319 -160930.0197 -108393.3459 300.5890 176.1019 209.1370 762911.0132 -4.5000 -4.5285 PRESSURE: 2518000 -99.8043 -92.2531 -38.8346 -92.2534 58.7274 -5.19917 -38.8342 -5.19968 330.116 GPRESSURE: 2518000 -44.8418 -108.331 -30.3615 -144.379 119.701 -28.6476 -66.5749 -28.0211 294.323 PRESSAVG: 2518000 -13.814 -1.89576 -8.80058 -1.89578 -20.8025 29.6966 -8.80063 29.6966 -6.97761 GPRESSAVG: 2518000 -14.3805 0.220459 -8.90241 -5.71178 -20.002 29.3182 -8.11621 30.1707 -7.29042 TIMING: 2518000 CPU: 7863.97, 0.00314508/step Wall: 7863.97, 0.00314508/step, 2.16836 hours remaining, 234.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2518000 4085.3591 20421.4449 14426.0642 263.2305 -203104.0151 2753.0318 0.0000 0.0000 52193.4621 -108961.4226 299.9565 -161154.8847 -108597.0173 300.1796 96.3463 123.0605 762672.9762 -13.8647 -13.8909 PRESSURE: 2518200 -320.797 -112.577 11.1692 -112.576 -21.4237 20.9004 11.1689 20.9014 112.732 GPRESSURE: 2518200 -290.367 -128.569 -15.3511 -129.053 38.1959 33.512 64.0087 67.5989 120.363 PRESSAVG: 2518200 -16.4369 -36.1757 -9.35407 -36.1757 31.5282 27.1421 -9.35403 27.1421 3.76782 GPRESSAVG: 2518200 -15.0485 -36.1574 -8.49942 -34.1563 30.9315 27.7524 -11.4089 27.3203 3.5675 TIMING: 2518200 CPU: 7864.6, 0.00313237/step Wall: 7864.6, 0.00313237/step, 2.15942 hours remaining, 234.824219 MB of memory in use. ENERGY: 2518200 3944.2333 20477.7968 14369.6711 251.0857 -203072.3671 2791.5328 0.0000 0.0000 52198.7719 -109039.2754 299.9871 -161238.0473 -108667.5785 299.4775 -76.4963 -43.9361 762083.8274 6.2864 6.4835 PRESSURE: 2518400 218.96 -19.3411 -300.401 -19.3416 162.734 -272.265 -300.401 -272.264 259.891 GPRESSURE: 2518400 184.585 -14.9104 -302.349 54.8691 185.215 -222.081 -243.812 -180.441 357.431 PRESSAVG: 2518400 23.3698 -11.8462 -11.7599 -11.8462 -29.2244 -24.9889 -11.76 -24.9889 -1.92523 GPRESSAVG: 2518400 21.6456 -15.5668 -12.7494 -12.6212 -27.8877 -25.3515 -10.4627 -24.8318 -1.50845 TIMING: 2518400 CPU: 7865.22, 0.00310484/step Wall: 7865.22, 0.00310484/step, 2.14027 hours remaining, 234.824219 MB of memory in use. ENERGY: 2518400 4012.6063 20641.4957 14444.4826 262.9470 -203480.4397 2879.0240 0.0000 0.0000 52360.3642 -108879.5199 300.9157 -161239.8840 -108520.8658 299.3966 213.8616 242.4105 761353.7223 -2.5933 -2.5835 PRESSURE: 2518600 161.573 -95.5946 -119.95 -95.5951 -272.61 -75.7767 -119.95 -75.776 -395.507 GPRESSURE: 2518600 183.245 -4.78267 -133.802 -15.1194 -206.38 -130.751 -93.8955 -59.0646 -401.021 PRESSAVG: 2518600 4.58193 -41.2176 -31.697 -41.2176 -61.6681 -44.0659 -31.697 -44.0659 -1.65873 GPRESSAVG: 2518600 5.68311 -38.2264 -30.7137 -40.5985 -61.622 -44.1121 -33.4886 -45.7058 -2.95629 TIMING: 2518600 CPU: 7865.84, 0.00310039/step Wall: 7865.84, 0.00310039/step, 2.13703 hours remaining, 234.824219 MB of memory in use. ENERGY: 2518600 3962.5698 20547.5673 14425.9002 242.8617 -202719.4372 2557.2525 0.0000 0.0000 51971.2227 -109012.0629 298.6793 -160983.2856 -108647.6844 299.7587 -168.8480 -141.3852 764174.2039 -19.5816 -19.6317 PRESSURE: 2518800 -77.5885 -206.288 -72.2245 -206.287 29.6306 -318.719 -72.2235 -318.72 271.409 GPRESSURE: 2518800 -98.876 -203.306 -73.2296 -173.275 91.3533 -276.856 112.488 -315.532 312.612 PRESSAVG: 2518800 26.9395 -20.0271 13.8221 -20.027 -41.5167 -60.8245 13.8221 -60.8245 19.8857 GPRESSAVG: 2518800 25.1393 -20.8345 13.3276 -18.8735 -41.2929 -62.0272 15.6583 -57.5517 21.9229 TIMING: 2518800 CPU: 7866.46, 0.00310595/step Wall: 7866.46, 0.00310595/step, 2.14069 hours remaining, 234.824219 MB of memory in use. ENERGY: 2518800 3970.7785 20606.9322 14451.8272 243.4077 -203354.7658 3004.9603 0.0000 0.0000 52173.9178 -108902.9421 299.8442 -161076.8599 -108541.7274 299.9864 74.4837 101.6963 762949.8006 1.7695 1.9231 PRESSURE: 2519000 -291.404 -115.592 328.961 -115.591 23.6808 215.857 328.962 215.858 193.444 GPRESSURE: 2519000 -229.965 -76.2343 323.734 -161.327 84.5244 201.629 319.896 241.158 147.256 PRESSAVG: 2519000 -29.8926 -39.6231 31.5226 -39.6231 39.6172 2.06267 31.5226 2.0627 13.3732 GPRESSAVG: 2519000 -28.8754 -38.8687 31.3184 -41 39.8552 6.22491 30.1376 -0.633964 12.2032 TIMING: 2519000 CPU: 7867.08, 0.00309687/step Wall: 7867.08, 0.00309687/step, 2.13426 hours remaining, 234.824219 MB of memory in use. ENERGY: 2519000 4016.4861 20473.2777 14405.8872 230.8595 -203062.6294 2717.3989 0.0000 0.0000 52296.2814 -108922.4386 300.5474 -161218.7200 -108555.4349 299.7887 -24.7599 0.6052 763014.0720 7.6993 7.7277 PRESSURE: 2519200 -202.464 229.501 -26.4682 229.501 -199.679 156.558 -26.4671 156.559 35.3587 GPRESSURE: 2519200 -146.631 53.0215 71.6165 187.632 -199.397 143.549 21.4738 160.725 64.2874 PRESSAVG: 2519200 -31.7776 -52.1811 31.5055 -52.1811 37.1912 -12.4228 31.5055 -12.4227 2.69716 GPRESSAVG: 2519200 -32.5599 -55.9913 34.377 -50.1033 36.6938 -14.0083 31.9397 -13.1536 3.58182 TIMING: 2519200 CPU: 7867.7, 0.00311165/step Wall: 7867.7, 0.00311165/step, 2.14427 hours remaining, 234.824219 MB of memory in use. ENERGY: 2519200 3930.4191 20627.2351 14332.4525 243.6847 -202714.9451 2620.4272 0.0000 0.0000 52026.2496 -108934.4768 298.9956 -160960.7264 -108575.3554 299.8838 -122.2615 -93.9135 765637.1003 2.7036 2.5719 PRESSURE: 2519400 -76.3726 -55.7122 1.34826 -55.7121 30.0378 -63.9678 1.34878 -63.9666 -313.91 GPRESSURE: 2519400 -36.9192 13.1531 58.4826 6.69857 45.3017 -49.3382 -87.9675 29.6083 -287.364 PRESSAVG: 2519400 -11.7462 1.42595 5.56871 1.42599 25.1586 4.09674 5.56876 4.09671 -0.429236 GPRESSAVG: 2519400 -11.6332 5.63497 2.81926 -2.69581 24.6679 4.18019 5.69931 3.94004 -0.00214024 TIMING: 2519400 CPU: 7868.33, 0.00312605/step Wall: 7868.33, 0.00312605/step, 2.15402 hours remaining, 234.824219 MB of memory in use. ENERGY: 2519400 4014.0482 20545.5838 14349.3455 273.1447 -203133.0481 2731.7846 0.0000 0.0000 52208.7261 -109010.4150 300.0443 -161219.1412 -108645.8553 299.9739 -120.0816 -92.9940 762679.8410 4.3277 4.3442 PRESSURE: 2519600 224.26 -246.575 5.00359 -246.575 -165.891 100.864 5.00408 100.864 65.1868 GPRESSURE: 2519600 220.937 -93.386 -45.498 -259.398 -126.977 21.7331 28.8297 89.4562 98.8837 PRESSAVG: 2519600 -14.1391 59.1741 -22.6498 59.1741 10.1949 -8.48466 -22.6499 -8.48463 19.8681 GPRESSAVG: 2519600 -13.3306 56.5318 -22.9705 61.5344 10.1976 -8.20254 -22.1464 -9.4683 18.9625 TIMING: 2519600 CPU: 7868.95, 0.00312078/step Wall: 7868.95, 0.00312078/step, 2.15022 hours remaining, 234.824219 MB of memory in use. ENERGY: 2519600 4000.0116 20433.9628 14417.2476 238.3665 -202807.7199 2561.6728 0.0000 0.0000 52227.5001 -108928.9585 300.1522 -161156.4586 -108565.8478 299.9145 41.1853 64.2812 762486.5168 5.3079 5.2765 PRESSURE: 2519800 -184.699 105.341 201.103 105.341 123.307 -249.101 201.102 -249.101 222.265 GPRESSURE: 2519800 -84.1667 89.5047 218.458 179.768 155.239 -184.073 211.767 -339.183 170.736 PRESSAVG: 2519800 -2.96481 22.5165 21.0594 22.5166 37.5936 18.2843 21.0593 18.2843 -5.13035 GPRESSAVG: 2519800 -3.52712 22.5395 22.5459 24.3202 37.4395 17.1166 20.3955 21.1465 -4.38003 TIMING: 2519800 CPU: 7869.58, 0.00313254/step Wall: 7869.58, 0.00313254/step, 2.15815 hours remaining, 234.824219 MB of memory in use. ENERGY: 2519800 3956.6563 20539.5348 14475.5876 253.2021 -202981.7478 2634.5524 0.0000 0.0000 52132.8859 -108989.3286 299.6084 -161122.2146 -108627.4704 299.9109 53.6243 80.6029 760692.7610 9.8328 9.8441 PRESSURE: 2520000 242.802 133.182 -94.6992 133.182 165.122 71.2846 -94.7 71.2848 -34.2151 GPRESSURE: 2520000 204.193 115.4 -39.9509 23.5733 257.329 79.8071 -68.3717 147.868 -19.6733 PRESSAVG: 2520000 -24.2686 30.0165 11.884 30.0164 33.2646 -27.2753 11.884 -27.2754 0.745035 GPRESSAVG: 2520000 -26.1665 29.2607 10.8662 26.9545 34.8278 -25.9385 12.8268 -28.9514 1.09254 TIMING: 2520000 CPU: 7870.2, 0.00310825/step Wall: 7870.2, 0.00310825/step, 2.14124 hours remaining, 234.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2520000 4128.1964 20475.7619 14444.7313 258.0148 -203135.9780 2944.5138 0.0000 0.0000 51937.6397 -108947.1200 298.4863 -160884.7597 -108596.6921 299.7961 124.5699 147.2830 762399.9041 3.2470 3.2513 PRESSURE: 2520200 -168.761 -144.47 -70.7092 -144.471 -123.401 135.436 -70.7094 135.437 216.054 GPRESSURE: 2520200 -91.6503 -131.901 0.20538 -141.947 -100.098 138.303 -50.8069 178.277 192.106 PRESSAVG: 2520200 -13.3754 17.9349 -36.2349 17.9349 55.8339 -53.4557 -36.235 -53.4557 -3.46063 GPRESSAVG: 2520200 -11.2709 19.4024 -35.7329 17.3481 54.8917 -53.8386 -36.307 -52.8498 -4.84989 TIMING: 2520200 CPU: 7870.82, 0.00310773/step Wall: 7870.82, 0.00310773/step, 2.14071 hours remaining, 234.824219 MB of memory in use. ENERGY: 2520200 4003.1629 20530.0493 14495.8561 242.0144 -202736.1670 2461.7338 0.0000 0.0000 52114.5469 -108888.8036 299.5030 -161003.3505 -108520.3048 299.8244 -25.3691 0.1193 762809.1472 12.9993 12.9236 LDB: ============= START OF LOAD BALANCING ============== 7883.3 LDB: ============== END OF LOAD BALANCING =============== 7883.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7883.3 LDB: ============= START OF LOAD BALANCING ============== 7883.62 LDB: Largest compute 7064 load 0.031348 is 16.1% of average load 0.195192 LDB: Average compute 0.004395 is 2.3% of average load 0.195192 LDB: TIME 7883.62 LOAD: AVG 0.195192 MAX 0.216801 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.43 MB LDB: TIME 7883.62 LOAD: AVG 0.195192 MAX 0.216801 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.633 MB LDB: TIME 7883.62 LOAD: AVG 0.195192 MAX 0.216801 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.633 MB LDB: ============== END OF LOAD BALANCING =============== 7883.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7883.63 PRESSURE: 2520400 -122.332 59.092 -10.6347 59.0914 -344.977 135.009 -10.6347 135.007 40.5675 GPRESSURE: 2520400 -167.95 63.5931 -56.703 54.1828 -201.902 12.4745 56.6458 293.361 33.9533 PRESSAVG: 2520400 -46.2648 -34.5768 29.6287 -34.5767 31.4286 -12.5255 29.6287 -12.5255 -10.3416 GPRESSAVG: 2520400 -47.4109 -34.7835 28.5708 -33.3626 32.1699 -14.2871 30.1385 -12.6127 -9.67398 TIMING: 2520400 CPU: 7871.46, 0.00319976/step Wall: 7871.46, 0.00319976/step, 2.20392 hours remaining, 234.820312 MB of memory in use. ENERGY: 2520400 3913.6826 20647.4692 14490.9838 240.1684 -202491.0772 2235.5715 0.0000 0.0000 51989.4931 -108973.7086 298.7843 -160963.2017 -108607.7273 299.5673 -142.2472 -111.9660 762984.6714 -8.3926 -8.3050 PRESSURE: 2520600 -45.7885 -61.0769 -101.75 -61.0763 -55.4553 -42.0981 -101.749 -42.0977 198.895 GPRESSURE: 2520600 8.95582 117.49 -126.158 16.0065 20.3724 -54.4052 -58.9245 -113.741 144.326 PRESSAVG: 2520600 -18.6702 -24.4291 -37.0615 -24.4292 19.2942 13.9194 -37.0615 13.9194 3.918 GPRESSAVG: 2520600 -17.6865 -24.24 -36.7951 -26.4165 19.6321 15.1523 -37.1486 13.7272 2.33668 TIMING: 2520600 CPU: 7872.09, 0.00312591/step Wall: 7872.09, 0.00312591/step, 2.15288 hours remaining, 235.281250 MB of memory in use. ENERGY: 2520600 3926.5475 20540.0982 14460.9496 245.6211 -202935.9509 2537.2586 0.0000 0.0000 52344.8416 -108880.6342 300.8265 -161225.4759 -108508.4023 299.1360 32.5505 57.8847 762809.4981 1.5140 1.4274 PRESSURE: 2520800 -121.007 -2.35473 42.1445 -2.35551 -82.7347 -44.0226 42.1443 -44.0235 -222.403 GPRESSURE: 2520800 -20.227 -5.12788 144.821 -33.6545 -96.6261 -76.2166 35.702 -76.5499 -205.772 PRESSAVG: 2520800 -70.5983 48.5401 0.0802348 48.5401 64.3507 30.9205 0.080262 30.9205 -9.02757 GPRESSAVG: 2520800 -70.3664 48.2307 1.00141 49.4292 64.198 31.2331 -0.135753 31.8063 -8.77866 TIMING: 2520800 CPU: 7872.71, 0.00312297/step Wall: 7872.71, 0.00312297/step, 2.15069 hours remaining, 235.281250 MB of memory in use. ENERGY: 2520800 3986.6867 20527.1174 14461.7041 263.8308 -202767.1336 2397.0836 0.0000 0.0000 52165.4582 -108965.2528 299.7956 -161130.7110 -108599.9275 299.8833 -142.0481 -107.5415 763977.1342 -5.0917 -4.9823 PRESSURE: 2521000 209.46 -99.6534 50.5534 -99.6532 -553.166 49.8554 50.5537 49.8556 -372.371 GPRESSURE: 2521000 131.048 -84.5735 174.341 8.46425 -471.802 59.6461 -121.715 -3.06995 -296.007 PRESSAVG: 2521000 14.3728 -3.23858 -58.048 -3.23861 27.49 28.5169 -58.048 28.5169 1.45323 GPRESSAVG: 2521000 15.1521 -4.0011 -59.641 -2.8233 27.1689 26.2489 -59.2292 27.9804 1.25813 TIMING: 2521000 CPU: 7873.33, 0.00311139/step Wall: 7873.33, 0.00311139/step, 2.14254 hours remaining, 235.281250 MB of memory in use. ENERGY: 2521000 3923.3089 20533.7100 14474.8749 272.1439 -202844.0043 2367.0501 0.0000 0.0000 52156.8715 -109116.0450 299.7463 -161272.9165 -108745.5276 299.7127 -238.6924 -212.2540 762575.3392 14.4387 14.5264 PRESSURE: 2521200 -366.028 91.165 186.423 91.1654 232.969 -64.746 186.423 -64.7466 227.5 GPRESSURE: 2521200 -294.401 148.335 200.32 68.4344 181.18 -133.384 47.7453 -10.6079 278.553 PRESSAVG: 2521200 -52.8732 -28.6238 -85.3589 -28.6239 7.30486 2.61841 -85.3589 2.61847 -9.68653 GPRESSAVG: 2521200 -54.3437 -28.5733 -86.667 -26.3847 7.80554 4.5412 -84.8246 2.72911 -8.61605 TIMING: 2521200 CPU: 7873.96, 0.00312806/step Wall: 7873.96, 0.00312806/step, 2.15384 hours remaining, 235.281250 MB of memory in use. ENERGY: 2521200 3977.3066 20603.4314 14514.2143 238.4434 -203457.0088 2880.2172 0.0000 0.0000 52008.1132 -109235.2827 298.8913 -161243.3958 -108860.0175 299.0425 31.4804 55.1108 762259.6839 -18.4183 -18.3847 PRESSURE: 2521400 -182.645 123.13 30.4785 123.129 42.4578 64.4196 30.4782 64.4193 -164.792 GPRESSURE: 2521400 -88.9811 58.8408 -17.5581 137.373 -23.6508 110.084 124.678 59.2448 -111.159 PRESSAVG: 2521400 -30.6423 17.1477 -17.2698 17.1477 68.6833 -21.4072 -17.2698 -21.4072 -18.0634 GPRESSAVG: 2521400 -30.7899 18.1649 -15.2338 15.9081 67.734 -21.8195 -16.3651 -23.0282 -17.5574 TIMING: 2521400 CPU: 7874.58, 0.00312926/step Wall: 7874.58, 0.00312926/step, 2.15449 hours remaining, 235.281250 MB of memory in use. ENERGY: 2521400 4045.9647 20545.6289 14450.1074 247.6718 -202965.4343 2495.8599 0.0000 0.0000 51892.8543 -109287.3472 298.2289 -161180.2015 -108927.5781 299.3923 -101.6597 -74.5970 761542.6119 6.6592 6.4622 PRESSURE: 2521600 -270.81 -65.0327 52.7799 -65.0323 273.216 17.1463 52.7814 17.1454 -89.2882 GPRESSURE: 2521600 -169.508 -19.1471 41.0764 -22.4701 274.86 24.0509 27.5827 114.814 -106.636 PRESSAVG: 2521600 -22.1319 -13.1618 -50.8132 -13.1617 23.9289 33.1641 -50.8131 33.1641 -1.5997 GPRESSAVG: 2521600 -21.6948 -12.931 -51.2483 -13.8665 25.8192 32.7682 -50.1268 34.5068 -3.72946 TIMING: 2521600 CPU: 7875.21, 0.00311504/step Wall: 7875.21, 0.00311504/step, 2.14453 hours remaining, 235.281250 MB of memory in use. ENERGY: 2521600 4061.4610 20550.9507 14467.5204 253.2751 -202937.4668 2846.8701 0.0000 0.0000 51625.7546 -109131.6348 296.6939 -160757.3895 -108788.0833 298.9235 -28.9605 -0.4282 763538.1029 0.0657 0.1317 PRESSURE: 2521800 -356.468 -82.7674 -50.0745 -82.7674 -380.305 208.083 -50.075 208.084 13.8194 GPRESSURE: 2521800 -386.835 -37.2347 19.3007 19.0523 -278.972 200.645 -68.0104 188.249 15.4709 PRESSAVG: 2521800 -7.88284 -17.5462 -27.3951 -17.5461 17.7511 37.3022 -27.3951 37.3021 0.013844 GPRESSAVG: 2521800 -7.93815 -18.4317 -26.5483 -16.2492 16.0465 37.7992 -31.2745 36.1089 1.49928 TIMING: 2521800 CPU: 7875.83, 0.00312673/step Wall: 7875.83, 0.00312673/step, 2.1524 hours remaining, 235.281250 MB of memory in use. ENERGY: 2521800 3991.4612 20523.9669 14386.1797 235.6293 -203307.9011 2981.6694 0.0000 0.0000 52072.2394 -109116.7553 299.2599 -161188.9947 -108750.3812 299.3218 -240.9846 -216.7787 763128.3200 3.2940 3.2025 PRESSURE: 2522000 -139.96 66.772 -70.3781 66.7717 -39.5064 -72.6516 -70.378 -72.652 232.027 GPRESSURE: 2522000 -134.975 8.32519 -92.2229 -12.3089 59.9781 -105.113 -155.531 -48.7176 216.855 PRESSAVG: 2522000 -41.3389 -14.5659 -5.2389 -14.5659 55.1636 33.5708 -5.23883 33.5709 4.22225 GPRESSAVG: 2522000 -40.9245 -14.2264 -7.0598 -16.4985 55.8945 33.0905 -2.8139 33.1299 3.70841 TIMING: 2522000 CPU: 7876.46, 0.00311768/step Wall: 7876.46, 0.00311768/step, 2.146 hours remaining, 235.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2522000 3959.3375 20416.5478 14485.4163 248.5885 -203262.5344 2602.0933 0.0000 0.0000 52218.4969 -109332.0542 300.1004 -161550.5511 -108972.5096 299.1519 17.5203 47.2861 761361.4364 6.0156 6.2261 PRESSURE: 2522200 34.1372 -66.7289 -37.6316 -66.7279 -278.319 172.363 -37.6308 172.364 -157.841 GPRESSURE: 2522200 42.9398 -8.86555 -7.01762 -160.497 -197.704 124.094 -79.4842 154.152 -181.362 PRESSAVG: 2522200 13.9806 60.3141 -24.2686 60.3141 18.9743 52.4321 -24.2685 52.4321 12.7722 GPRESSAVG: 2522200 13.2396 60.773 -23.8886 60.6651 20.1628 54.1012 -24.05 55.1572 12.7973 TIMING: 2522200 CPU: 7877.08, 0.00312151/step Wall: 7877.08, 0.00312151/step, 2.14846 hours remaining, 235.281250 MB of memory in use. ENERGY: 2522200 4028.4915 20402.6355 14450.4762 242.2727 -203427.0570 2624.5409 0.0000 0.0000 52140.9786 -109537.6616 299.6549 -161678.6402 -109174.9298 298.5491 -134.0078 -112.0421 761645.2544 15.2423 15.3999 PRESSURE: 2522400 49.9061 55.7019 12.2294 55.7021 106.864 -37.2767 12.2292 -37.2771 20.0155 GPRESSURE: 2522400 56.1942 107.749 9.92074 -11.3029 168.722 -98.2862 147.757 -120.603 22.0838 PRESSAVG: 2522400 32.3111 57.6075 -55.8127 57.6075 -38.9633 7.41198 -55.8126 7.412 2.37599 GPRESSAVG: 2522400 33.1452 58.159 -56.2075 56.3343 -39.8841 4.7973 -55.6666 5.70674 2.59407 TIMING: 2522400 CPU: 7877.71, 0.0031285/step Wall: 7877.71, 0.0031285/step, 2.1531 hours remaining, 235.281250 MB of memory in use. ENERGY: 2522400 3943.2401 20408.7923 14461.0162 249.2643 -203259.8974 2654.8547 0.0000 0.0000 51942.5274 -109600.2023 298.5144 -161542.7297 -109239.9054 298.1806 58.9285 82.3333 762441.9123 -1.4254 -1.3816 PRESSURE: 2522600 427.875 -9.21646 -203.955 -9.21707 78.0333 -108.857 -203.955 -108.856 187.163 GPRESSURE: 2522600 428.147 18.7232 -202.599 110.783 184.778 -83.3702 -197.551 -103.958 157.208 PRESSAVG: 2522600 -23.2654 7.30036 -8.94545 7.30036 -5.79749 -4.48536 -8.9454 -4.48537 13.9339 GPRESSAVG: 2522600 -21.7678 5.07975 -10.7805 9.3657 -6.16425 -2.05992 -8.21935 -4.57457 13.0414 TIMING: 2522600 CPU: 7878.33, 0.00313548/step Wall: 7878.33, 0.00313548/step, 2.15773 hours remaining, 235.281250 MB of memory in use. ENERGY: 2522600 3939.1413 20466.2861 14412.0462 228.5670 -204037.6386 3412.9095 0.0000 0.0000 52105.3928 -109473.2958 299.4504 -161578.6886 -109117.3113 298.7426 231.0237 256.7106 762195.9100 -5.0430 -4.9635 PRESSURE: 2522800 154.104 -67.408 -184.596 -67.4072 139.034 -301.087 -184.596 -301.087 279.051 GPRESSURE: 2522800 112.39 -66.7419 -138.452 -119.746 238.25 -153.932 -182.94 -303.764 305.579 PRESSAVG: 2522800 10.9765 19.4523 -20.8997 19.4522 3.87354 -44.0165 -20.8998 -44.0166 -21.3368 GPRESSAVG: 2522800 10.2247 20.513 -19.8363 18.6517 2.86739 -45.0296 -21.6046 -41.9654 -19.8625 TIMING: 2522800 CPU: 7878.96, 0.00312998/step Wall: 7878.96, 0.00312998/step, 2.15377 hours remaining, 235.281250 MB of memory in use. ENERGY: 2522800 4012.9189 20384.9793 14475.1060 246.5865 -203188.1443 2656.5599 0.0000 0.0000 51956.0182 -109455.9756 298.5920 -161411.9937 -109096.5944 298.5502 190.7297 218.7398 762989.2121 -2.1623 -2.2568 PRESSURE: 2523000 -203.38 70.2737 210.186 70.2737 -48.3019 113.404 210.185 113.404 -438.548 GPRESSURE: 2523000 -154.431 -146.775 172.838 144.859 24.696 85.0233 -6.51511 23.0711 -461.317 PRESSAVG: 2523000 -15.831 9.2763 -72.3969 9.27624 -19.891 -42.888 -72.3969 -42.8879 16.6727 GPRESSAVG: 2523000 -15.7371 8.59079 -71.7601 10.4377 -18.7863 -41.0054 -72.6378 -45.3466 15.9762 TIMING: 2523000 CPU: 7879.58, 0.00310334/step Wall: 7879.58, 0.00310334/step, 2.13527 hours remaining, 235.281250 MB of memory in use. ENERGY: 2523000 4107.6165 20310.5405 14419.5596 227.4450 -203413.7260 2792.0966 0.0000 0.0000 52193.9115 -109362.5562 299.9591 -161556.4677 -108995.2871 299.4229 -230.0765 -197.0172 763429.7749 -6.3498 -6.1824 PRESSURE: 2523200 -88.3007 90.9337 47.7929 90.9343 -24.2399 61.2795 47.7934 61.2788 -340.26 GPRESSURE: 2523200 13.1022 -68.3714 4.41555 176.547 -38.3332 22.0341 112.503 124.291 -335.093 PRESSAVG: 2523200 -17.3075 50.2598 20.8074 50.2599 -13.2103 45.9714 20.8074 45.9715 -7.36059 GPRESSAVG: 2523200 -18.2135 50.6544 21.353 49.991 -12.8593 45.3101 22.0166 47.2921 -7.16069 TIMING: 2523200 CPU: 7880.2, 0.00310002/step Wall: 7880.2, 0.00310002/step, 2.13282 hours remaining, 235.281250 MB of memory in use. ENERGY: 2523200 3942.8379 20508.1133 14465.6375 231.6858 -203070.0073 2759.4056 0.0000 0.0000 51681.0755 -109481.2516 297.0119 -161162.3271 -109124.8227 298.7038 -150.9336 -120.1080 764243.5297 -12.6261 -12.7445 PRESSURE: 2523400 51.2109 4.60624 -184.901 4.60642 10.5232 98.9507 -184.9 98.952 19.9647 GPRESSURE: 2523400 77.5638 -36.4156 -287.083 32.5972 63.6559 50.6149 -55.4442 82.405 5.81875 PRESSAVG: 2523400 3.16054 -18.9367 34.7083 -18.9367 33.1824 3.91404 34.7083 3.91412 21.6705 GPRESSAVG: 2523400 3.52453 -19.3305 35.159 -19.3583 32.8464 3.83895 33.8815 2.95861 21.5341 TIMING: 2523400 CPU: 7880.83, 0.0031339/step Wall: 7880.83, 0.0031339/step, 2.15595 hours remaining, 235.281250 MB of memory in use. ENERGY: 2523400 3938.5640 20546.8705 14436.2558 242.3360 -203329.9325 2900.1216 0.0000 0.0000 51860.5372 -109405.2476 298.0432 -161265.7847 -109053.4574 298.7406 27.2329 49.0128 761715.1439 19.3378 19.3017 PRESSURE: 2523600 -128.626 117.523 75.7954 117.523 -101.819 -181.839 75.7964 -181.839 -121.382 GPRESSURE: 2523600 -187.571 250.347 27.137 214.051 -2.32209 -217.842 -8.07382 -196.915 -87.8475 PRESSAVG: 2523600 5.8194 -1.80979 9.98058 -1.80983 -11.5922 68.8801 9.9806 68.8802 7.45567 GPRESSAVG: 2523600 5.90684 -1.1277 8.58839 0.692748 -10.9517 68.5492 10.1016 68.1976 7.23394 TIMING: 2523600 CPU: 7881.46, 0.00314203/step Wall: 7881.46, 0.00314203/step, 2.16137 hours remaining, 235.281250 MB of memory in use. ENERGY: 2523600 4016.4989 20536.4249 14419.0680 260.1535 -202851.1413 2484.6328 0.0000 0.0000 51659.1531 -109475.2100 296.8859 -161134.3631 -109112.4743 299.2489 -117.2756 -92.5803 762949.5594 0.5610 0.7297 PRESSURE: 2523800 -165.393 -91.3881 29.0298 -91.3882 16.3048 214.254 29.0296 214.254 -287.886 GPRESSURE: 2523800 -126.435 -126.73 57.2785 -56.1135 -7.71672 229.949 30.0353 246.686 -243.223 PRESSAVG: 2523800 -60.432 22.9515 3.30956 22.9515 56.9153 11.4389 3.30953 11.4389 -0.366564 GPRESSAVG: 2523800 -61.2033 21.0151 3.99558 21.165 57.1332 9.03304 3.02678 13.1937 -0.135267 TIMING: 2523800 CPU: 7882.08, 0.00312546/step Wall: 7882.08, 0.00312546/step, 2.14979 hours remaining, 235.281250 MB of memory in use. ENERGY: 2523800 3965.5605 20560.8674 14487.2226 228.8703 -202924.0477 2505.1958 0.0000 0.0000 51712.8092 -109463.5219 297.1942 -161176.3311 -109107.9590 298.7438 -145.6580 -125.7914 763374.9060 -1.2944 -1.4018 PRESSURE: 2524000 -245.291 -84.3864 146.657 -84.3857 -33.6496 51.5251 146.657 51.5262 -523.125 GPRESSURE: 2524000 -156.824 -273.132 207.277 -21.4669 19.4228 17.5548 168.969 -25.3494 -573.997 PRESSAVG: 2524000 -26.1423 -8.8142 21.7981 -8.81413 13.7435 -6.41457 21.7981 -6.41449 -9.13296 GPRESSAVG: 2524000 -24.5935 -6.25256 20.2479 -9.77153 12.597 -4.9494 23.6935 -5.60815 -9.54494 TIMING: 2524000 CPU: 7882.71, 0.00313235/step Wall: 7882.71, 0.00313235/step, 2.15436 hours remaining, 235.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2524000 3990.6938 20395.3060 14408.6744 237.8987 -203244.3625 2443.5340 0.0000 0.0000 52244.4448 -109523.8108 300.2495 -161768.2556 -109150.2553 298.6756 -267.3550 -237.1326 761784.2252 -7.1772 -7.1805 PRESSURE: 2524200 23.9569 147.227 174.689 147.227 -134.544 -247.501 174.689 -247.501 -195.693 GPRESSURE: 2524200 53.1186 135.532 140.555 241.134 -114.607 -188.442 185.308 -312.984 -139.027 PRESSAVG: 2524200 -2.31632 1.7364 -9.12848 1.73637 35.5689 -34.9475 -9.12848 -34.9476 12.0978 GPRESSAVG: 2524200 -3.27102 -1.46135 -8.44117 3.72241 37.0589 -34.6381 -9.66613 -36.8207 12.2631 TIMING: 2524200 CPU: 7883.33, 0.00312842/step Wall: 7883.33, 0.00312842/step, 2.15148 hours remaining, 235.281250 MB of memory in use. ENERGY: 2524200 3967.2905 20476.7616 14392.2511 235.5931 -203008.4851 2628.7142 0.0000 0.0000 51999.6916 -109308.1829 298.8429 -161307.8745 -108949.1141 298.8133 -102.0932 -66.8382 762517.9218 15.1168 15.3503 LDB: ============= START OF LOAD BALANCING ============== 7895.81 LDB: ============== END OF LOAD BALANCING =============== 7895.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7895.81 LDB: ============= START OF LOAD BALANCING ============== 7896.13 LDB: Largest compute 7034 load 0.030789 is 15.8% of average load 0.195218 LDB: Average compute 0.004409 is 2.3% of average load 0.195218 LDB: TIME 7896.13 LOAD: AVG 0.195218 MAX 0.216595 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.336 MB LDB: TIME 7896.13 LOAD: AVG 0.195218 MAX 0.216595 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.375 MB LDB: TIME 7896.13 LOAD: AVG 0.195218 MAX 0.216595 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.375 MB LDB: ============== END OF LOAD BALANCING =============== 7896.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7896.14 PRESSURE: 2524400 -162.411 72.4171 -24.3122 72.417 -36.3406 -69.6016 -24.3114 -69.6003 -148.341 GPRESSURE: 2524400 -123.903 104.374 -74.2232 75.2665 -20.1277 -125.771 -9.15951 40.3925 -129.086 PRESSAVG: 2524400 -30.5748 24.3262 -23.1238 24.3263 70.5706 -16.7114 -23.1238 -16.7113 -6.63679 GPRESSAVG: 2524400 -28.2549 26.7609 -22.6104 24.2343 67.2715 -18.078 -22.9931 -14.8932 -6.07804 TIMING: 2524400 CPU: 7883.97, 0.00319994/step Wall: 7883.97, 0.00319994/step, 2.20049 hours remaining, 234.035156 MB of memory in use. ENERGY: 2524400 3973.1273 20585.2436 14427.0902 220.8216 -202929.9958 2481.8499 0.0000 0.0000 51910.1194 -109331.7437 298.3282 -161241.8631 -108978.0414 299.4524 -115.6976 -91.0390 761511.4812 11.1197 10.9795 PRESSURE: 2524600 -257.244 -164.854 -144.005 -164.853 43.9073 -29.9448 -144.006 -29.945 273.129 GPRESSURE: 2524600 -148.727 -111.169 -1.5945 -225.309 65.5737 -1.36457 -28.8639 31.4154 211.413 PRESSAVG: 2524600 21.4022 -28.3875 -50.469 -28.3876 -2.47995 -20.8506 -50.469 -20.8507 10.2896 GPRESSAVG: 2524600 19.9484 -28.2396 -51.3426 -28.5174 0.530796 -19.1295 -49.8943 -22.5247 8.95179 TIMING: 2524600 CPU: 7884.6, 0.00312544/step Wall: 7884.6, 0.00312544/step, 2.14909 hours remaining, 234.238281 MB of memory in use. ENERGY: 2524600 3982.3349 20494.3114 14462.5424 227.3833 -203212.6793 2677.5975 0.0000 0.0000 52069.4858 -109299.0240 299.2441 -161368.5098 -108935.5825 299.0290 19.9309 42.7531 762156.3592 9.7373 9.8103 PRESSURE: 2524800 -128.154 130.221 64.8708 130.221 -5.428 -17.9527 64.8702 -17.9524 -157.022 GPRESSURE: 2524800 -92.5676 127.055 64.2414 149.518 11.9718 41.0478 -85.6132 -39.2397 -124.009 PRESSAVG: 2524800 -8.11921 0.901647 -18.0163 0.901678 67.7105 -13.0747 -18.0163 -13.0746 3.58861 GPRESSAVG: 2524800 -8.04299 2.3027 -16.8665 0.408823 67.1607 -13.6588 -20.419 -12.9534 3.52066 TIMING: 2524800 CPU: 7885.22, 0.00313391/step Wall: 7885.22, 0.00313391/step, 2.15474 hours remaining, 234.238281 MB of memory in use. ENERGY: 2524800 3990.0825 20566.4546 14448.9383 233.6265 -203320.8888 2620.8495 0.0000 0.0000 52099.6296 -109361.3079 299.4173 -161460.9374 -109004.1739 298.9319 -96.8680 -68.2017 763851.3236 21.0600 20.8794 PRESSURE: 2525000 -353.028 80.3656 84.7452 80.3659 -91.76 -39.4258 84.7443 -39.4261 133.203 GPRESSURE: 2525000 -210.826 59.3748 112.653 80.2209 -138.18 -63.5351 107.083 -7.91817 119.996 PRESSAVG: 2525000 -27.3188 -3.83987 13.0756 -3.83983 55.9084 -16.0651 13.0757 -16.0651 24.835 GPRESSAVG: 2525000 -27.3995 -4.71225 13.2087 -4.03617 55.5259 -15.7181 14.6092 -15.8831 25.6539 TIMING: 2525000 CPU: 7885.86, 0.00315327/step Wall: 7885.86, 0.00315327/step, 2.16787 hours remaining, 234.238281 MB of memory in use. ENERGY: 2525000 3981.6902 20464.5634 14472.6437 256.7799 -203543.5601 2898.6248 0.0000 0.0000 52231.8578 -109237.4002 300.1772 -161469.2580 -108875.0629 299.4176 -103.8616 -76.3363 762280.4136 17.8082 17.9268 PRESSURE: 2525200 126.869 -262.423 261.126 -262.425 98.4324 89.678 261.127 89.6771 -2.85256 GPRESSURE: 2525200 152.39 -283.396 202.452 -151.846 -4.20604 134.97 274.857 103.122 135.216 PRESSAVG: 2525200 -52.9996 7.28106 82.0295 7.28104 43.2547 20.8754 82.0295 20.8753 -8.79122 GPRESSAVG: 2525200 -52.5846 7.86906 81.0967 6.86991 42.3585 22.7939 82.0757 19.6733 -8.54462 TIMING: 2525200 CPU: 7886.48, 0.00312166/step Wall: 7886.48, 0.00312166/step, 2.14597 hours remaining, 234.238281 MB of memory in use. ENERGY: 2525200 3958.2326 20526.9838 14343.6556 250.1853 -203391.8952 2870.3804 0.0000 0.0000 52459.5725 -108982.8849 301.4859 -161442.4574 -108612.9414 299.4676 74.1495 94.4666 762198.5056 -6.1787 -6.2569 PRESSURE: 2525400 -315.008 186.146 -74.2334 186.145 -272.58 -50.5864 -74.2344 -50.5858 -180.998 GPRESSURE: 2525400 -270.834 153.1 -47.4593 156.433 -195.745 -34.3788 -192.144 -16.5113 -217.139 PRESSAVG: 2525400 -28.7713 0.908097 9.11772 0.908004 36.3857 -23.9556 9.11771 -23.9557 -6.85016 GPRESSAVG: 2525400 -27.7288 0.0695464 8.87892 0.934857 36.4755 -26.1476 8.6579 -23.4309 -8.11672 TIMING: 2525400 CPU: 7887.1, 0.00311744/step Wall: 7887.1, 0.00311744/step, 2.14289 hours remaining, 234.238281 MB of memory in use. ENERGY: 2525400 4026.8857 20631.5301 14452.4633 239.0141 -202962.1863 2419.2842 0.0000 0.0000 52176.0268 -109016.9822 299.8563 -161193.0090 -108654.1944 300.0827 -256.1951 -227.9057 763040.1448 0.2547 0.2100 PRESSURE: 2525600 -272.717 -10.8301 191.887 -10.8302 21.0959 87.5424 191.887 87.5432 251.693 GPRESSURE: 2525600 -303.616 -27.8558 206.24 -112.117 124.822 154.929 154.317 51.1916 255.993 PRESSAVG: 2525600 -55.6703 46.2305 58.4682 46.2305 37.0812 11.0575 58.4681 11.0576 -11.6549 GPRESSAVG: 2525600 -57.9446 47.9101 60.3184 44.5334 36.4458 11.1299 58.0341 10.9881 -9.54685 TIMING: 2525600 CPU: 7887.73, 0.00313622/step Wall: 7887.73, 0.00313622/step, 2.15563 hours remaining, 234.238281 MB of memory in use. ENERGY: 2525600 4005.0161 20516.7493 14437.0897 241.0472 -203289.7845 3007.2079 0.0000 0.0000 52066.8416 -109015.8328 299.2289 -161082.6743 -108651.5943 299.4241 0.0237 25.7329 763256.8528 -10.0813 -10.3486 PRESSURE: 2525800 175.199 -76.0705 -185.903 -76.0707 412.723 26.7817 -185.903 26.7812 -324.847 GPRESSURE: 2525800 201.753 -92.3128 -203.544 -37.4694 422.687 -50.9659 -165.446 115.281 -292.304 PRESSAVG: 2525800 -23.0077 -20.8729 -19.6821 -20.8729 45.4694 59.9904 -19.6821 59.9904 -13.8703 GPRESSAVG: 2525800 -22.5015 -23.9371 -20.7799 -17.3612 46.9638 59.8496 -19.536 62.7937 -15.4388 TIMING: 2525800 CPU: 7888.36, 0.00314759/step Wall: 7888.36, 0.00314759/step, 2.16327 hours remaining, 234.238281 MB of memory in use. ENERGY: 2525800 4095.6884 20788.6895 14570.7935 239.1211 -203544.3630 2797.3838 0.0000 0.0000 51984.3668 -109068.3200 298.7549 -161052.6868 -108709.8783 299.6354 87.6917 110.7120 761551.9079 2.8638 3.0078 PRESSURE: 2526000 422.729 -57.3728 306.219 -57.3732 214.157 -6.658 306.218 -6.65944 115.227 GPRESSURE: 2526000 467.026 -54.2834 282.475 -16.5198 274.031 -69.1253 249.567 -46.1782 87.0703 PRESSAVG: 2526000 -29.0299 -59.7235 33.4918 -59.7235 24.0194 24.6801 33.4917 24.6802 -8.56468 GPRESSAVG: 2526000 -28.826 -59.9825 33.6659 -57.5301 23.3402 25.3013 31.0277 19.4633 -8.27716 TIMING: 2526000 CPU: 7888.98, 0.0031251/step Wall: 7888.98, 0.0031251/step, 2.14764 hours remaining, 234.238281 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: 2526000 4049.7162 20565.5726 14496.7800 263.8287 -203706.6214 3211.3850 0.0000 0.0000 51940.8586 -109178.4803 298.5048 -161119.3389 -108819.5430 299.5073 250.7040 276.0426 762224.7760 -4.5251 -4.5877 PRESSURE: 2526200 -262.239 -157.19 -56.4782 -157.189 91.5627 -181.736 -56.4786 -181.736 -77.31 GPRESSURE: 2526200 -134.749 -129.267 46.8962 -197.687 121.1 -139.306 -11.7875 -163.326 -150.698 PRESSAVG: 2526200 -25.6827 23.358 14.5162 23.358 5.71806 13.561 14.5163 13.5609 8.2632 GPRESSAVG: 2526200 -24.8174 24.6389 15.2657 19.2711 4.77336 14.8925 18.6475 16.4649 8.74351 TIMING: 2526200 CPU: 7889.62, 0.00315129/step Wall: 7889.62, 0.00315129/step, 2.16546 hours remaining, 234.238281 MB of memory in use. ENERGY: 2526200 4039.2492 20506.2142 14425.3743 248.8742 -203416.8607 2746.7174 0.0000 0.0000 52172.4705 -109277.9609 299.8359 -161450.4315 -108915.4909 299.1869 -82.6622 -54.7824 762419.3230 -3.9005 -3.7668 PRESSURE: 2526400 -83.1493 -95.1875 15.1291 -95.1873 -312.373 242.754 15.1291 242.754 -360.157 GPRESSURE: 2526400 45.5512 -33.3694 80.3591 -29.6961 -313.282 264.315 -104.683 128.44 -399.405 PRESSAVG: 2526400 -0.838573 15.2443 0.560308 15.2442 15.2451 19.7338 0.560343 19.7338 10.9067 GPRESSAVG: 2526400 -1.95989 14.1852 0.348543 16.9364 17.3153 18.0117 -1.97796 21.1374 10.3703 TIMING: 2526400 CPU: 7890.25, 0.00315245/step Wall: 7890.25, 0.00315245/step, 2.16608 hours remaining, 234.238281 MB of memory in use. ENERGY: 2526400 3992.0936 20462.4216 14500.8351 235.1694 -203468.1044 2794.8034 0.0000 0.0000 52248.5710 -109234.2104 300.2733 -161482.7814 -108866.3294 299.2628 -251.8932 -222.3786 762017.8139 8.4378 8.5752 PRESSURE: 2526600 7.92638 -181.366 -227.661 -181.367 116.835 122.089 -227.66 122.09 354.095 GPRESSURE: 2526600 69.6441 -167.525 -214.435 -60.0505 124.078 153.513 -184.465 129.96 352.187 PRESSAVG: 2526600 -48.1217 -32.8829 0.903859 -32.8829 53.6765 14.2734 0.903773 14.2734 -7.27139 GPRESSAVG: 2526600 -47.8751 -30.5378 0.802704 -34.4782 53.1036 13.4689 1.01784 13.6353 -6.91542 TIMING: 2526600 CPU: 7890.87, 0.00313671/step Wall: 7890.87, 0.00313671/step, 2.1551 hours remaining, 234.238281 MB of memory in use. ENERGY: 2526600 4008.9037 20535.8078 14502.5469 232.2304 -203303.0683 2786.6422 0.0000 0.0000 52165.4239 -109071.5133 299.7954 -161236.9372 -108700.5462 299.4100 159.6189 181.9699 762887.9805 -0.5722 -0.5623 PRESSURE: 2526800 -406.99 -93.3007 -42.255 -93.3003 -101.987 11.6054 -42.2561 11.6063 -261.434 GPRESSURE: 2526800 -411.144 -56.5327 -51.4847 115.037 -38.7476 -54.6745 37.1924 -19.5086 -241.79 PRESSAVG: 2526800 -6.75154 -64.4098 -11.265 -64.4099 18.8081 14.3118 -11.265 14.3118 -10.5574 GPRESSAVG: 2526800 -6.66223 -65.8591 -10.3773 -64.5307 19.1327 14.573 -10.4329 13.6959 -10.9333 TIMING: 2526800 CPU: 7891.5, 0.00312819/step Wall: 7891.5, 0.00312819/step, 2.14907 hours remaining, 234.238281 MB of memory in use. ENERGY: 2526800 4014.5380 20503.5277 14460.1385 244.5482 -202801.9073 2694.6125 0.0000 0.0000 51837.6234 -109046.9191 297.9115 -160884.5425 -108681.3789 299.3816 -256.8037 -230.5608 765553.5719 0.4997 0.5124 PRESSURE: 2527000 -41.8489 -24.7317 -1.75884 -24.7316 203.623 -45.7553 -1.75785 -45.7561 183.153 GPRESSURE: 2527000 24.0902 -93.8006 5.26698 22.6427 233.77 -27.4276 68.2605 -3.23595 177.185 PRESSAVG: 2527000 -13.9218 55.2334 -17.3046 55.2334 -12.6928 -2.13499 -17.3046 -2.13508 17.9495 GPRESSAVG: 2527000 -14.0095 55.5881 -19.1783 55.9474 -12.1456 -2.6575 -16.6931 -0.226518 17.8045 TIMING: 2527000 CPU: 7892.13, 0.00314062/step Wall: 7892.13, 0.00314062/step, 2.15743 hours remaining, 234.238281 MB of memory in use. ENERGY: 2527000 3981.6288 20631.2619 14422.9755 247.1326 -203481.2511 3020.0377 0.0000 0.0000 51938.6041 -109239.6105 298.4919 -161178.2146 -108884.7948 299.3470 114.9757 145.0151 763189.0003 -2.8884 -2.7835 PRESSURE: 2527200 44.3339 78.5997 -2.69785 78.6001 -346.326 42.1484 -2.69768 42.1486 -158.66 GPRESSURE: 2527200 61.7347 -27.7744 60.2128 73.4069 -318.703 0.573578 -82.2526 -29.554 -136.138 PRESSAVG: 2527200 10.404 -21.5315 25.9805 -21.5314 15.1982 4.37275 25.9805 4.37277 6.43394 GPRESSAVG: 2527200 10.2267 -20.6536 25.6776 -21.5599 15.0294 6.71108 24.8748 1.9452 6.91311 TIMING: 2527200 CPU: 7892.75, 0.00314069/step Wall: 7892.75, 0.00314069/step, 2.1573 hours remaining, 234.238281 MB of memory in use. ENERGY: 2527200 3930.6601 20670.0327 14467.4378 234.0499 -203166.9460 2455.7788 0.0000 0.0000 52264.1339 -109144.8527 300.3627 -161408.9867 -108780.3014 298.8140 -153.5508 -131.0353 762711.4524 10.6787 10.7230 PRESSURE: 2527400 140.739 5.65973 -40.6374 5.65943 103.344 -18.368 -40.6379 -18.3688 168.15 GPRESSURE: 2527400 190.645 124.436 -100.132 -17.5556 125.706 6.71479 76.4064 94.6969 178.717 PRESSAVG: 2527400 26.5624 -58.3483 6.35993 -58.3483 -1.42722 -14.4885 6.35991 -14.4885 3.63761 GPRESSAVG: 2527400 25.0202 -59.0351 6.62077 -58.4485 -0.615756 -15.3773 7.82581 -13.0617 4.59339 TIMING: 2527400 CPU: 7893.38, 0.0031294/step Wall: 7893.38, 0.0031294/step, 2.14938 hours remaining, 234.238281 MB of memory in use. ENERGY: 2527400 4006.1420 20548.4278 14429.5233 256.3151 -203570.0330 2960.5578 0.0000 0.0000 52108.5499 -109260.5171 299.4686 -161369.0670 -108894.0858 299.8656 137.4109 165.0226 763183.5020 9.5909 9.6660 PRESSURE: 2527600 -352.624 -27.752 -128.739 -27.7521 -299.015 -54.7682 -128.739 -54.768 -334.715 GPRESSURE: 2527600 -352.532 1.90334 -99.1719 -3.24639 -271.96 -87.7581 -91.5022 -140.312 -291.244 PRESSAVG: 2527600 5.73352 2.3918 -5.52926 2.39183 9.00034 -14.4831 -5.52927 -14.4831 3.49803 GPRESSAVG: 2527600 7.35478 4.0061 -4.93142 0.504055 7.38719 -13.1856 -5.76906 -15.0519 3.15554 TIMING: 2527600 CPU: 7894.01, 0.0031316/step Wall: 7894.01, 0.0031316/step, 2.15072 hours remaining, 234.238281 MB of memory in use. ENERGY: 2527600 4007.2256 20527.9505 14453.3445 237.9152 -203498.5089 2762.3472 0.0000 0.0000 52297.8578 -109211.8681 300.5565 -161509.7259 -108848.7288 298.8862 -328.7847 -305.2451 763308.1066 6.0773 5.9658 PRESSURE: 2527800 -73.5887 -151.722 211.094 -151.721 -124.477 28.9537 211.094 28.9531 441.487 GPRESSURE: 2527800 -74.7933 -160.226 179.755 -135.302 -10.0648 35.4532 267.1 33.071 406.685 PRESSAVG: 2527800 -34.5535 -24.7413 51.1186 -24.7413 8.31597 27.9112 51.1185 27.9113 0.746261 GPRESSAVG: 2527800 -35.8131 -25.5411 50.3027 -23.5601 9.65883 25.8977 52.0859 28.903 1.0143 TIMING: 2527800 CPU: 7894.63, 0.00312575/step Wall: 7894.63, 0.00312575/step, 2.14652 hours remaining, 234.238281 MB of memory in use. ENERGY: 2527800 4015.1037 20601.8263 14535.0637 254.8236 -203504.6902 2908.0289 0.0000 0.0000 52049.0476 -109140.7963 299.1266 -161189.8440 -108775.7854 299.5226 81.1402 107.2758 763482.1748 -8.4971 -8.3800 PRESSURE: 2528000 -299.162 100.961 25.6989 100.96 -146.847 -126.479 25.6984 -126.479 -228.015 GPRESSURE: 2528000 -273.387 17.9472 17.4975 32.0255 -123.005 -126.256 -81.3048 -123.824 -203.624 PRESSAVG: 2528000 -53.5883 -26.929 13.6158 -26.929 65.2972 -14.5923 13.6158 -14.5924 16.0592 GPRESSAVG: 2528000 -51.9465 -28.467 11.6984 -26.6682 65.1129 -14.6611 10.5107 -15.1048 14.3545 TIMING: 2528000 CPU: 7895.26, 0.00313503/step Wall: 7895.26, 0.00313504/step, 2.15272 hours remaining, 234.238281 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: 2528000 4013.2971 20634.9579 14430.7244 255.8095 -203684.9668 2660.9631 0.0000 0.0000 52189.5059 -109499.7090 299.9338 -161689.2149 -109131.8533 298.9935 -224.6745 -200.0049 762373.2723 9.2560 9.1736 PRESSURE: 2528200 -149.246 164.087 -159.681 164.087 -318.194 -165.565 -159.681 -165.564 10.4955 GPRESSURE: 2528200 -149.737 216.924 -203.496 99.2426 -284.418 -121.106 -139.229 -115.602 63.6149 PRESSAVG: 2528200 -26.2098 -8.85126 14.226 -8.85129 17.4868 20.4963 14.2261 20.4964 7.24066 GPRESSAVG: 2528200 -27.0345 -6.62189 16.1844 -10.2805 17.6461 20.2575 16.15 18.7676 8.11396 TIMING: 2528200 CPU: 7895.88, 0.00312229/step Wall: 7895.88, 0.00312229/step, 2.1438 hours remaining, 234.238281 MB of memory in use. ENERGY: 2528200 4037.3615 20695.6084 14478.1502 252.5182 -203714.5509 2928.7895 0.0000 0.0000 51912.2739 -109409.8493 298.3406 -161322.1232 -109047.0978 299.3000 -152.3150 -123.5134 762253.3409 -0.4941 -0.4248 LDB: ============= START OF LOAD BALANCING ============== 7908.36 LDB: ============== END OF LOAD BALANCING =============== 7908.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7908.37 LDB: ============= START OF LOAD BALANCING ============== 7908.68 LDB: Largest compute 7055 load 0.029353 is 15.0% of average load 0.195133 LDB: Average compute 0.004386 is 2.2% of average load 0.195133 LDB: TIME 7908.68 LOAD: AVG 0.195133 MAX 0.215755 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.012 MB LDB: TIME 7908.68 LOAD: AVG 0.195133 MAX 0.215755 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.012 MB LDB: TIME 7908.68 LOAD: AVG 0.195133 MAX 0.215755 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.012 MB LDB: ============== END OF LOAD BALANCING =============== 7908.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7908.69 PRESSURE: 2528400 260.614 279.125 23.9984 279.125 19.0754 87.5042 23.9984 87.504 150.947 GPRESSURE: 2528400 260.772 294.17 108.468 249.538 67.351 40.8755 124.118 113.63 193.205 PRESSAVG: 2528400 -1.52754 19.3756 -13.3416 19.3757 16.0049 -17.3193 -13.3416 -17.3193 -40.3857 GPRESSAVG: 2528400 -2.22768 17.9662 -10.2594 21.1183 16.5203 -17.0667 -13.1142 -16.0064 -40.4499 TIMING: 2528400 CPU: 7896.52, 0.00320226/step Wall: 7896.52, 0.00320226/step, 2.19853 hours remaining, 233.539062 MB of memory in use. ENERGY: 2528400 3978.5807 20598.8299 14531.9384 252.5786 -203950.9813 3008.2903 0.0000 0.0000 52130.2384 -109450.5249 299.5932 -161580.7633 -109104.8535 298.9069 143.5454 173.7760 760283.2375 -8.6361 -8.7191 PRESSURE: 2528600 37.8194 179.139 61.694 179.139 340.405 57.8599 61.6938 57.8598 -394.489 GPRESSURE: 2528600 55.5772 55.4778 39.5398 64.9964 340.967 158.422 23.6889 -14.0895 -316.351 PRESSAVG: 2528600 28.3046 17.7934 11.9402 17.7934 -24.3075 -2.68258 11.9402 -2.68258 -4.14771 GPRESSAVG: 2528600 29.1487 17.4492 8.21449 17.7882 -25.6677 -3.07297 13.902 -3.07399 -4.12064 TIMING: 2528600 CPU: 7897.15, 0.00312933/step Wall: 7897.15, 0.00312933/step, 2.14828 hours remaining, 233.539062 MB of memory in use. ENERGY: 2528600 3959.3296 20469.8396 14415.8637 274.5324 -203210.4673 2663.0464 0.0000 0.0000 51960.7970 -109467.0587 298.6194 -161427.8557 -109105.6805 298.2915 -5.4215 26.7311 763746.3212 -0.0502 -0.2132 PRESSURE: 2528800 -86.922 -100.751 -7.8994 -100.752 -343.418 61.2129 -7.89946 61.2124 263.766 GPRESSURE: 2528800 -129.975 -27.551 -9.29206 -244.916 -248.179 69.6403 73.9585 116.575 322.137 PRESSAVG: 2528800 15.1562 2.67856 46.2826 2.67854 -26.1378 6.87498 46.2826 6.87489 3.47796 GPRESSAVG: 2528800 14.2021 2.30115 49.1117 3.01296 -25.0938 6.64927 43.5451 8.39503 3.47684 TIMING: 2528800 CPU: 7897.77, 0.00310406/step Wall: 7897.77, 0.00310406/step, 2.13076 hours remaining, 233.539062 MB of memory in use. ENERGY: 2528800 3987.7786 20645.8177 14439.0613 236.5492 -203347.8667 2629.7646 0.0000 0.0000 51811.3251 -109597.5702 297.7604 -161408.8953 -109237.9220 298.3404 -55.5246 -18.6724 761587.8767 -2.5012 -2.4716 PRESSURE: 2529000 -413.083 -66.3624 218.533 -66.362 -168.344 15.097 218.534 15.0971 -513.408 GPRESSURE: 2529000 -398.8 -49.3518 237.212 -118.975 -151.644 31.3723 70.2396 -122.219 -467.676 PRESSAVG: 2529000 14.4105 5.00825 -21.5508 5.00818 -2.78746 30.8866 -21.5508 30.8866 -6.77926 GPRESSAVG: 2529000 14.269 5.22012 -22.3301 4.84741 -2.68415 32.0972 -22.5761 30.1832 -6.56345 TIMING: 2529000 CPU: 7898.39, 0.00310203/step Wall: 7898.39, 0.00310203/step, 2.1292 hours remaining, 233.539062 MB of memory in use. ENERGY: 2529000 4086.8691 20513.9300 14436.6457 254.4141 -203411.7086 2640.4626 0.0000 0.0000 51887.6006 -109591.7865 298.1988 -161479.3871 -109224.9034 298.5415 -364.9449 -339.3734 762144.1892 1.6146 1.6738 PRESSURE: 2529200 49.2274 -217.336 47.5259 -217.336 120.202 -122.101 47.5257 -122.102 -199.177 GPRESSURE: 2529200 147.852 -258.404 94.4512 -255.588 62.3391 -81.3876 -73.4518 -95.3394 -152.651 PRESSAVG: 2529200 21.3018 -30.8671 17.9174 -30.8671 -26.3415 -60.4653 17.9175 -60.4654 -5.5483 GPRESSAVG: 2529200 22.7967 -31.4222 16.0373 -31.3583 -26.9492 -60.685 21.3382 -60.7252 -6.60592 TIMING: 2529200 CPU: 7899.02, 0.0031296/step Wall: 7899.02, 0.0031296/step, 2.14795 hours remaining, 233.539062 MB of memory in use. ENERGY: 2529200 4000.8572 20557.7088 14370.2908 234.8613 -203343.4295 2486.5808 0.0000 0.0000 52088.0343 -109605.0963 299.3506 -161693.1305 -109239.5171 298.1890 -9.9156 19.1800 762492.6498 -3.5293 -3.5861 PRESSURE: 2529400 53.8314 16.1418 41.832 16.1418 179.125 74.4108 41.8325 74.4107 69.61 GPRESSURE: 2529400 134.005 18.3258 64.7962 -28.7211 143.002 34.8235 81.0242 49.9348 104.419 PRESSAVG: 2529400 -76.8485 -35.5046 75.6745 -35.5047 61.4806 -36.3006 75.6745 -36.3006 3.25178 GPRESSAVG: 2529400 -77.5054 -33.2522 75.4512 -36.4114 61.6136 -36.8805 72.8324 -35.6925 3.88239 TIMING: 2529400 CPU: 7899.64, 0.00311113/step Wall: 7899.64, 0.00311113/step, 2.1351 hours remaining, 233.539062 MB of memory in use. ENERGY: 2529400 3990.6003 20607.4040 14478.2533 250.0890 -203947.1901 3267.9100 0.0000 0.0000 51818.1980 -109534.7355 297.7999 -161352.9335 -109177.8126 298.7460 100.8553 127.1422 763067.1330 -4.0387 -4.0031 PRESSURE: 2529600 333.139 20.5405 65.7116 20.54 -47.8161 -80.617 65.7117 -80.6173 -40.1783 GPRESSURE: 2529600 350.892 -14.2452 40.9349 24.8136 -21.7358 34.8896 148.283 27.8674 1.30285 PRESSAVG: 2529600 6.57346 -43.104 9.63085 -43.104 46.7705 33.0225 9.63085 33.0225 -12.0356 GPRESSAVG: 2529600 6.25452 -44.8969 11.3791 -42.4138 46.8464 34.0042 11.9545 32.0535 -12.4976 TIMING: 2529600 CPU: 7900.26, 0.00311711/step Wall: 7900.26, 0.00311711/step, 2.13903 hours remaining, 233.539062 MB of memory in use. ENERGY: 2529600 4002.9039 20428.2850 14497.2186 243.7047 -203446.4438 2725.8606 0.0000 0.0000 51888.5874 -109659.8836 298.2044 -161548.4710 -109296.0699 298.4125 81.7149 110.1530 764047.7230 13.7695 13.5344 PRESSURE: 2529800 -108.335 -15.4677 101.921 -15.4677 -82.4809 33.3112 101.92 33.3123 -162.075 GPRESSURE: 2529800 -77.056 24.7193 87.2201 37.4127 -58.5215 26.876 39.6966 -53.6769 -123.854 PRESSAVG: 2529800 6.76552 4.33758 -55.3836 4.33762 -36.8424 4.49188 -55.3835 4.49189 -25.6091 GPRESSAVG: 2529800 6.36474 2.46451 -55.3874 6.86473 -37.2154 4.52922 -57.488 4.53777 -25.5307 TIMING: 2529800 CPU: 7900.89, 0.00315536/step Wall: 7900.89, 0.00315536/step, 2.1651 hours remaining, 233.539062 MB of memory in use. ENERGY: 2529800 4027.4130 20565.5830 14497.0347 254.4483 -203514.3926 2515.6787 0.0000 0.0000 52087.1265 -109567.1084 299.3454 -161654.2349 -109196.9386 298.2825 -117.6302 -86.4772 762579.0380 -18.5620 -18.7938 PRESSURE: 2530000 -29.0652 -52.529 -63.8969 -52.5295 0.943653 -11.3471 -63.8963 -11.3473 -183.448 GPRESSURE: 2530000 -14.0411 89.7001 -32.8807 -122.957 5.12038 -48.7263 -8.77152 -71.6366 -112.019 PRESSAVG: 2530000 -19.8958 33.5629 27.9705 33.563 -8.29436 -46.1639 27.9706 -46.1639 6.81484 GPRESSAVG: 2530000 -20.2416 36.3991 28.1498 31.654 -7.26253 -47.0747 27.5082 -43.6812 6.62668 TIMING: 2530000 CPU: 7901.52, 0.00312671/step Wall: 7901.52, 0.00312671/step, 2.14527 hours remaining, 233.539062 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: 2530000 3993.3170 20578.5809 14449.9384 242.8256 -203661.6133 2823.6810 0.0000 0.0000 52034.0329 -109539.2375 299.0403 -161573.2705 -109174.4484 298.6141 -70.5233 -40.3133 763194.0059 -7.1251 -6.9591 PRESSURE: 2530200 320.899 -13.9855 -82.1167 -13.9855 135.987 171.349 -82.1167 171.348 163.043 GPRESSURE: 2530200 270.065 -61.075 -116.623 -97.3526 206.379 162.463 -6.37291 153.488 227.454 PRESSAVG: 2530200 20.1902 -5.70128 5.04176 -5.70126 -1.9035 -17.5272 5.04177 -17.5273 -23.5198 GPRESSAVG: 2530200 20.039 -6.19778 5.2807 -5.15528 -2.36035 -18.4379 8.68107 -20.9383 -23.3298 TIMING: 2530200 CPU: 7902.14, 0.00311857/step Wall: 7902.14, 0.00311857/step, 2.13951 hours remaining, 233.539062 MB of memory in use. ENERGY: 2530200 3978.4145 20510.4045 14461.2313 267.8349 -203349.4568 2810.1509 0.0000 0.0000 51872.8227 -109448.5980 298.1138 -161321.4207 -109085.8761 298.4304 206.6430 234.6324 762952.8356 -1.7443 -1.8837 PRESSURE: 2530400 281.273 -44.8029 116.799 -44.8029 454.637 -19.741 116.799 -19.7394 504.683 GPRESSURE: 2530400 245.315 -6.79632 92.8793 -52.6246 477.793 4.39611 142.171 -76.4308 608.377 PRESSAVG: 2530400 54.2357 -25.7618 -42.217 -25.7618 -67.0922 4.38238 -42.217 4.38235 9.61011 GPRESSAVG: 2530400 53.4761 -26.8574 -41.5353 -24.6404 -66.9511 7.58089 -44.836 3.81295 9.81328 TIMING: 2530400 CPU: 7902.77, 0.00312704/step Wall: 7902.77, 0.00312704/step, 2.14515 hours remaining, 233.539062 MB of memory in use. ENERGY: 2530400 3976.3097 20691.1583 14402.7860 232.4291 -203372.0899 2828.7481 0.0000 0.0000 51805.8475 -109434.8112 297.7289 -161240.6587 -109079.7616 298.8586 413.5313 443.8281 759759.8006 -1.0821 -1.2206 PRESSURE: 2530600 345.891 82.8586 -85.4647 82.8588 -125.603 -179.019 -85.4646 -179.02 100.491 GPRESSURE: 2530600 367.139 -6.64322 -118.085 181.103 -106.42 -116.975 -98.2638 -204.994 125.011 PRESSAVG: 2530600 3.87866 27.598 -21.1617 27.598 -12.059 -48.9375 -21.1618 -48.9375 12.9719 GPRESSAVG: 2530600 5.77454 27.9469 -21.3234 25.7313 -13.6925 -51.1937 -19.5258 -46.0351 13.1425 TIMING: 2530600 CPU: 7903.39, 0.00312767/step Wall: 7903.39, 0.00312767/step, 2.14541 hours remaining, 233.539062 MB of memory in use. ENERGY: 2530600 3978.4770 20548.1857 14532.9087 246.4463 -203297.3332 2822.5579 0.0000 0.0000 51769.0438 -109399.7138 297.5174 -161168.7576 -109038.2997 298.6449 106.9261 128.5767 761821.1847 1.5972 1.7415 PRESSURE: 2530800 225.277 -123.755 240.409 -123.755 276.445 -80.9294 240.409 -80.9286 92.9449 GPRESSURE: 2530800 259.523 -123.485 318.083 -107.102 326.451 -117.405 233.096 -78.5947 91.9229 PRESSAVG: 2530800 17.101 -20.3771 -21.008 -20.3772 -11.2874 -42.7694 -21.0081 -42.7694 1.34032 GPRESSAVG: 2530800 17.2779 -20.4331 -20.7998 -19.3332 -10.3919 -42.1056 -20.8369 -44.0066 0.711817 TIMING: 2530800 CPU: 7904.01, 0.00310412/step Wall: 7904.01, 0.00310411/step, 2.12908 hours remaining, 233.539062 MB of memory in use. ENERGY: 2530800 3929.2216 20629.1036 14491.6716 244.8448 -203478.7743 2722.2924 0.0000 0.0000 52084.4732 -109377.1672 299.3302 -161461.6404 -109011.4107 298.7499 198.2222 225.9655 760663.4319 2.3846 2.5326 PRESSURE: 2531000 -129.824 -235.487 -185.995 -235.487 -0.872122 17.4264 -185.994 17.4265 -154.73 GPRESSURE: 2531000 -83.086 -299.957 -246.676 -116.228 -8.48553 15.825 -86.0364 20.546 -106.348 PRESSAVG: 2531000 14.1057 11.9628 -29.7986 11.9627 -20.7899 -19.4571 -29.7986 -19.457 -10.2386 GPRESSAVG: 2531000 13.2653 11.8588 -30.6492 12.7196 -19.467 -18.113 -31.9632 -19.2816 -11.2363 TIMING: 2531000 CPU: 7904.64, 0.00312657/step Wall: 7904.64, 0.00312658/step, 2.14431 hours remaining, 233.539062 MB of memory in use. ENERGY: 2531000 3967.8610 20553.6315 14551.6985 250.3326 -203299.6911 2541.9064 0.0000 0.0000 51970.0315 -109464.2296 298.6725 -161434.2611 -109096.6620 299.1064 -95.1421 -65.9732 762992.7915 -5.6410 -5.8127 PRESSURE: 2531200 -219.502 -79.6359 146.916 -79.6352 82.0162 -83.2381 146.917 -83.2371 361.853 GPRESSURE: 2531200 -145.102 -88.5844 167.556 -52.4403 110.87 -62.3059 211.473 -130.486 333.426 PRESSAVG: 2531200 22.1533 -55.389 -43.8049 -55.3889 -67.3274 -20.6353 -43.8049 -20.6353 -23.1976 GPRESSAVG: 2531200 20.809 -54.4947 -45.0411 -56.9276 -68.5216 -20.8616 -43.828 -20.4755 -20.8393 TIMING: 2531200 CPU: 7905.26, 0.0031074/step Wall: 7905.26, 0.0031074/step, 2.13099 hours remaining, 233.539062 MB of memory in use. ENERGY: 2531200 3998.0818 20293.7195 14471.1620 266.9889 -203451.0242 2676.0657 0.0000 0.0000 52086.9747 -109658.0315 299.3446 -161745.0062 -109288.5718 298.4535 74.7890 99.7312 760869.2988 -22.7906 -22.8506 PRESSURE: 2531400 -187.438 17.1538 72.6627 17.1549 237.127 22.5723 72.6621 22.5724 201.733 GPRESSURE: 2531400 -111.027 -85.1261 62.3887 7.009 183.214 7.72033 236.5 20.5526 233.513 PRESSAVG: 2531400 18.7444 -39.628 -7.53308 -39.6279 -7.67493 26.4747 -7.5331 26.4747 -0.0155572 GPRESSAVG: 2531400 18.453 -41.2542 -6.46126 -36.6346 -7.85155 26.0284 -5.97732 26.1538 0.30155 TIMING: 2531400 CPU: 7905.88, 0.00310363/step Wall: 7905.88, 0.00310363/step, 2.12823 hours remaining, 233.539062 MB of memory in use. ENERGY: 2531400 3941.4531 20614.0318 14474.5826 256.6646 -204068.7358 2907.7360 0.0000 0.0000 52317.1506 -109557.1171 300.6674 -161874.2677 -109200.8588 298.3570 83.8075 101.9000 760043.6097 3.6846 3.6343 PRESSURE: 2531600 -559.259 130.343 95.1442 130.342 -167.695 168.039 95.1439 168.039 -353.626 GPRESSURE: 2531600 -513.929 45.2773 30.6968 96.1407 -144.883 92.1387 -21.1762 134.934 -341.605 PRESSAVG: 2531600 -60.2648 11.1697 15.889 11.1697 48.1257 18.8609 15.8889 18.8609 22.3168 GPRESSAVG: 2531600 -59.0559 11.6656 15.3388 10.5254 48.3929 17.4493 14.0864 20.0283 20.7403 TIMING: 2531600 CPU: 7906.5, 0.00311256/step Wall: 7906.5, 0.00311256/step, 2.13418 hours remaining, 233.539062 MB of memory in use. ENERGY: 2531600 4099.1147 20473.4950 14518.7726 247.9526 -203086.9721 2403.5714 0.0000 0.0000 52011.8173 -109332.2484 298.9126 -161344.0657 -108964.8088 299.0125 -360.1934 -333.4723 762235.7351 3.3925 3.3591 PRESSURE: 2531800 46.7223 -58.3862 -183.964 -58.3856 -319.339 -80.9852 -183.964 -80.9855 -372.129 GPRESSURE: 2531800 51.1807 28.6623 -284.71 -12.9468 -272.862 -77.9803 -127.184 -92.8753 -339.215 PRESSAVG: 2531800 -10.3573 4.0855 -50.544 4.08551 30.2985 -17.5292 -50.544 -17.5293 -12.8963 GPRESSAVG: 2531800 -11.2771 5.27488 -50.1145 2.71257 31.161 -17.3929 -49.5989 -19.1274 -12.9049 TIMING: 2531800 CPU: 7907.13, 0.00310452/step Wall: 7907.13, 0.00310452/step, 2.12849 hours remaining, 233.539062 MB of memory in use. ENERGY: 2531800 3967.9856 20610.0220 14509.1826 247.6487 -203090.4129 2338.8086 0.0000 0.0000 52133.4472 -109283.3183 299.6116 -161416.7655 -108919.2038 299.1111 -214.9153 -186.9652 762250.9407 2.3483 2.3263 PRESSURE: 2532000 -168.45 130.536 -280.057 130.538 -49.6207 -97.6148 -280.057 -97.6144 -193.313 GPRESSURE: 2532000 -92.5737 168.213 -240.828 14.9213 -72.3224 -57.5737 -272.455 -110.497 -145.857 PRESSAVG: 2532000 -62.7962 18.3737 -28.85 18.3737 66.6601 -21.3083 -28.85 -21.3084 4.68206 GPRESSAVG: 2532000 -63.6006 18.1432 -30.0424 18.2394 65.8626 -21.4274 -30.5977 -20.0497 6.55232 TIMING: 2532000 CPU: 7907.75, 0.0030982/step Wall: 7907.75, 0.0030982/step, 2.12399 hours remaining, 233.539062 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: 2532000 4017.1471 20687.2551 14481.8027 255.3280 -203154.8891 2505.1827 0.0000 0.0000 51964.0346 -109244.1389 298.6380 -161208.1735 -108885.7421 299.3156 -137.1280 -103.5845 762806.4304 2.8487 2.9381 PRESSURE: 2532200 -376.019 102.144 -4.37054 102.144 191.804 -71.1408 -4.37048 -71.1399 -218.322 GPRESSURE: 2532200 -264.777 86.6015 -15.9923 82.8229 152.977 -41.8906 -59.9355 -208.181 -209.669 PRESSAVG: 2532200 -36.5049 47.321 -51.4982 47.3211 -12.9032 -18.3236 -51.4982 -18.3236 19.8797 GPRESSAVG: 2532200 -36.4332 45.9722 -49.2155 47.4504 -13.4646 -18.0225 -50.5311 -20.5822 19.7997 TIMING: 2532200 CPU: 7908.37, 0.00312922/step Wall: 7908.37, 0.00312922/step, 2.14508 hours remaining, 233.539062 MB of memory in use. ENERGY: 2532200 4020.1118 20485.8465 14508.4991 263.5769 -203070.8081 2702.5076 0.0000 0.0000 52006.7339 -109083.5322 298.8834 -161090.2660 -108720.8934 299.5899 -134.1791 -107.1562 763127.9901 -9.8428 -10.0327 LDB: ============= START OF LOAD BALANCING ============== 7920.85 LDB: ============== END OF LOAD BALANCING =============== 7920.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7920.85 LDB: ============= START OF LOAD BALANCING ============== 7921.16 LDB: Largest compute 7042 load 0.030484 is 15.6% of average load 0.195190 LDB: Average compute 0.004402 is 2.3% of average load 0.195190 LDB: TIME 7921.16 LOAD: AVG 0.19519 MAX 0.217388 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.051 MB LDB: TIME 7921.16 LOAD: AVG 0.19519 MAX 0.217388 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.051 MB LDB: TIME 7921.16 LOAD: AVG 0.19519 MAX 0.217388 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.051 MB LDB: ============== END OF LOAD BALANCING =============== 7921.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7921.17 PRESSURE: 2532400 70.5575 65.3176 -67.2969 65.3173 -69.671 33.0481 -67.2967 33.0484 11.0461 GPRESSURE: 2532400 58.9397 39.9758 48.2878 -19.2444 2.33273 49.3881 -159.62 -10.4297 40.5549 PRESSAVG: 2532400 -27.269 100.123 -38.2392 100.123 62.2369 -21.5119 -38.2392 -21.5119 -2.96172 GPRESSAVG: 2532400 -27.5925 98.8129 -39.451 99.5098 62.8974 -19.4997 -38.2973 -19.6289 -3.88099 TIMING: 2532400 CPU: 7909.01, 0.00317625/step Wall: 7909.01, 0.00317625/step, 2.17715 hours remaining, 233.742188 MB of memory in use. ENERGY: 2532400 3990.9562 20418.3827 14545.7834 255.5291 -202959.8789 2732.6886 0.0000 0.0000 51903.7551 -109112.7837 298.2916 -161016.5388 -108748.3969 299.3703 3.9775 33.9424 763650.4019 10.6687 10.4746 PRESSURE: 2532600 92.2342 110.864 -194.814 110.863 98.6091 -24.9445 -194.814 -24.9442 325.676 GPRESSURE: 2532600 157.924 182.768 -202.845 137.936 135.241 -2.00321 -163.082 -123.111 318.438 PRESSAVG: 2532600 -83.7954 55.5663 -16.8183 55.5662 74.5026 3.21194 -16.8182 3.21194 25.3889 GPRESSAVG: 2532600 -83.4571 56.3972 -16.7012 56.1975 75.1791 1.43116 -15.7539 3.34026 25.0048 TIMING: 2532600 CPU: 7909.63, 0.00310689/step Wall: 7909.63, 0.00310689/step, 2.12943 hours remaining, 233.742188 MB of memory in use. ENERGY: 2532600 3941.8184 20519.5355 14487.5507 250.2281 -203314.9712 2696.4513 0.0000 0.0000 52235.7958 -109183.5914 300.1998 -161419.3872 -108821.3275 299.1295 172.1729 203.8676 760806.1146 5.3654 5.5756 PRESSURE: 2532800 -269.08 -116.817 207.17 -116.817 106.006 36.1702 207.169 36.1708 -156.384 GPRESSURE: 2532800 -297.218 -81.8207 271.576 -92.0043 122.255 -32.9636 39.784 80.4171 -55.2373 PRESSAVG: 2532800 -48.1676 13.4903 9.85511 13.4903 40.9137 5.82324 9.85516 5.82321 -11.6674 GPRESSAVG: 2532800 -47.6994 15.8703 9.13006 13.5368 39.864 4.85745 7.32477 5.58778 -11.819 TIMING: 2532800 CPU: 7910.25, 0.00311239/step Wall: 7910.25, 0.00311239/step, 2.13303 hours remaining, 233.742188 MB of memory in use. ENERGY: 2532800 3908.8728 20591.1433 14442.3486 249.5155 -202597.0405 2400.9657 0.0000 0.0000 52171.7403 -108832.4543 299.8317 -161004.1946 -108463.2227 299.7764 -106.4858 -76.7335 764107.1328 -6.3071 -6.5515 PRESSURE: 2533000 39.5457 -22.9278 28.871 -22.9277 195.866 211.205 28.8705 211.206 315.508 GPRESSURE: 2533000 42.0661 -97.5494 -69.3684 50.7404 270.876 166.131 6.48032 160.489 316.656 PRESSAVG: 2533000 -46.0664 37.9186 -11.9759 37.9186 35.3922 8.11303 -11.9759 8.11299 -2.2235 GPRESSAVG: 2533000 -46.5144 33.8202 -12.0687 39.2935 35.2254 8.22018 -9.94988 7.66037 -1.86188 TIMING: 2533000 CPU: 7910.88, 0.00312956/step Wall: 7910.88, 0.00312956/step, 2.14462 hours remaining, 233.742188 MB of memory in use. ENERGY: 2533000 3990.2161 20674.0899 14451.8370 258.1371 -203101.4852 2912.7473 0.0000 0.0000 52182.5954 -108631.8624 299.8941 -160814.4578 -108272.3473 299.6822 183.6399 209.8660 763895.5243 -4.2992 -4.3836 PRESSURE: 2533200 172.124 24.9292 -296.635 24.9303 76.0509 -114.605 -296.635 -114.604 -134.904 GPRESSURE: 2533200 91.2617 12.9906 -273.242 -28.912 225.007 -138.457 -305.1 -185.933 -109.739 PRESSAVG: 2533200 4.82357 9.09534 39.9428 9.09533 21.9673 8.32562 39.9428 8.32562 -26.567 GPRESSAVG: 2533200 5.3407 11.5638 40.0784 6.43391 22.0097 7.85771 38.5691 8.88278 -26.6545 TIMING: 2533200 CPU: 7911.5, 0.00313161/step Wall: 7911.5, 0.00313161/step, 2.14585 hours remaining, 233.742188 MB of memory in use. ENERGY: 2533200 3996.9900 20602.6678 14529.3268 272.4264 -203344.9433 3094.3009 0.0000 0.0000 52184.5540 -108664.6776 299.9053 -160849.2315 -108302.7294 300.2560 37.7567 68.8430 763066.3104 0.0746 0.2320 PRESSURE: 2533400 -317.039 27.1943 129.262 27.1942 -81.1326 -50.0251 129.262 -50.0242 -389.957 GPRESSURE: 2533400 -216.369 91.9895 160.648 24.1169 -113.979 -129.605 42.306 -79.6065 -369.661 PRESSAVG: 2533400 -47.6788 12.5392 36.0237 12.5392 101.722 -2.061 36.0237 -2.06103 -18.1882 GPRESSAVG: 2533400 -47.2716 12.3174 36.7967 13.9792 101.206 -0.725195 37.467 -3.57279 -18.2586 TIMING: 2533400 CPU: 7912.13, 0.00311757/step Wall: 7912.13, 0.00311757/step, 2.13605 hours remaining, 233.742188 MB of memory in use. ENERGY: 2533400 4004.7615 20652.3488 14472.9456 221.6850 -202962.8508 2596.9137 0.0000 0.0000 52382.6625 -108631.5337 301.0439 -161014.1962 -108273.4285 300.6515 -262.7093 -233.3365 763830.9652 11.9516 11.8919 PRESSURE: 2533600 -152.327 60.614 140.932 60.6138 180.649 -8.43436 140.931 -8.43461 147.795 GPRESSURE: 2533600 -11.8297 41.7115 188.403 10.3553 129.326 3.09807 189.148 -78.4773 151.919 PRESSAVG: 2533600 -29.3709 11.1477 31.7383 11.1478 2.79194 -20.053 31.7382 -20.0531 -3.53668 GPRESSAVG: 2533600 -28.5762 11.12 31.4387 10.2651 3.31359 -20.3329 32.096 -18.8562 -4.32154 TIMING: 2533600 CPU: 7912.75, 0.00312271/step Wall: 7912.75, 0.00312271/step, 2.1394 hours remaining, 233.742188 MB of memory in use. ENERGY: 2533600 4046.6606 20683.2348 14495.8663 247.0409 -202788.5970 2534.0706 0.0000 0.0000 52175.8221 -108605.9016 299.8552 -160781.7238 -108255.3315 300.0233 58.7056 89.8053 764307.9679 -10.0386 -9.8614 PRESSURE: 2533800 -138.377 -44.8143 23.3873 -44.8147 44.084 44.7203 23.3869 44.7208 6.1703 GPRESSURE: 2533800 -159.971 -117.24 13.8222 21.0802 86.2599 81.6432 -49.7278 -56.4292 62.8931 PRESSAVG: 2533800 -79.382 6.221 36.2922 6.22093 67.3041 -33.155 36.2921 -33.155 -19.0554 GPRESSAVG: 2533800 -81.6024 6.29724 36.7124 6.63249 68.6668 -32.5335 35.8081 -33.3303 -18.2745 TIMING: 2533800 CPU: 7913.38, 0.00312237/step Wall: 7913.38, 0.00312237/step, 2.139 hours remaining, 233.742188 MB of memory in use. ENERGY: 2533800 3990.1965 20700.5820 14503.1819 233.6293 -202858.0498 2467.8429 0.0000 0.0000 52255.9604 -108706.6568 300.3157 -160962.6172 -108334.3238 299.6722 -29.3742 -3.6059 762778.5319 -10.3778 -10.4034 PRESSURE: 2534000 56.6955 45.0825 -85.7997 45.0827 515.232 -21.2022 -85.8 -21.203 266.508 GPRESSURE: 2534000 135.199 93.3009 -56.1488 9.1825 529.713 -100.155 -76.2369 77.374 248.61 PRESSAVG: 2534000 -28.2589 3.33826 5.31126 3.3382 76.9564 59.8525 5.3113 59.8526 16.9642 GPRESSAVG: 2534000 -26.2799 2.9219 4.98214 5.02682 76.2203 59.0268 6.29194 61.3477 15.7214 TIMING: 2534000 CPU: 7914, 0.00313288/step Wall: 7914, 0.00313288/step, 2.14602 hours remaining, 233.742188 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: 2534000 3971.3884 20693.7806 14408.4466 247.7043 -203422.4611 2912.7999 0.0000 0.0000 52396.8182 -108791.5233 301.1252 -161188.3415 -108422.8408 300.1887 279.4787 304.5072 761467.7076 21.8872 21.8873 PRESSURE: 2534200 141.806 -9.17564 -85.5924 -9.17572 -64.2265 31.6878 -85.592 31.6887 -137.464 GPRESSURE: 2534200 95.6267 -70.6438 -16.4697 24.0771 11.7885 52.6576 -26.4082 28.026 -105.108 PRESSAVG: 2534200 -12.4666 -3.43033 14.8097 -3.43036 28.03 52.1214 14.8097 52.1214 23.2202 GPRESSAVG: 2534200 -13.9471 -2.34485 15.4495 -3.66779 27.805 52.9196 14.4466 51.0809 25.1967 TIMING: 2534200 CPU: 7914.63, 0.00312874/step Wall: 7914.63, 0.00312874/step, 2.14301 hours remaining, 233.742188 MB of memory in use. ENERGY: 2534200 3967.6393 20575.4311 14533.7428 252.0557 -202975.1730 2691.6697 0.0000 0.0000 52054.1032 -108900.5312 299.1556 -160954.6343 -108540.8355 299.4002 -19.9616 0.7689 764427.7305 12.9279 13.0182 PRESSURE: 2534400 -232.161 -86.0988 59.1628 -86.0987 -51.1838 58.743 59.1625 58.7421 465.6 GPRESSURE: 2534400 -184.626 0.455381 24.9892 -134.737 30.8545 7.17296 54.4879 89.7886 427.596 PRESSAVG: 2534400 -41.0369 -0.899441 -4.99944 -0.899498 58.7919 71.9037 -4.99944 71.9037 2.95008 GPRESSAVG: 2534400 -39.8219 -2.34072 -3.55889 -1.93597 58.1632 72.8851 -7.22893 72.546 2.04368 TIMING: 2534400 CPU: 7915.25, 0.00311208/step Wall: 7915.25, 0.00311208/step, 2.13143 hours remaining, 233.742188 MB of memory in use. ENERGY: 2534400 3976.5012 20579.0603 14541.3142 257.3122 -202885.3965 2687.5043 0.0000 0.0000 51854.6902 -108989.0141 298.0096 -160843.7043 -108629.3890 299.2584 60.7519 91.2748 764572.4703 6.9017 6.7950 PRESSURE: 2534600 80.8651 -68.3695 138.602 -68.37 -17.4019 112.489 138.601 112.488 366.851 GPRESSURE: 2534600 165.948 -126.69 125.32 -53.6719 -3.79887 53.7406 2.6656 11.9441 337.095 PRESSAVG: 2534600 40.0334 -26.3075 -17.0077 -26.3075 -60.0501 1.31263 -17.0078 1.31263 -21.1172 GPRESSAVG: 2534600 38.9235 -25.873 -18.1126 -26.1932 -59.497 0.0137912 -14.2482 1.01203 -20.4363 TIMING: 2534600 CPU: 7915.87, 0.00310048/step Wall: 7915.87, 0.00310048/step, 2.12331 hours remaining, 233.742188 MB of memory in use. ENERGY: 2534600 3958.4300 20534.0942 14514.2620 226.9310 -203367.9274 2757.6712 0.0000 0.0000 52145.1899 -109231.3491 299.6791 -161376.5390 -108874.8140 298.9937 143.4380 166.4147 763500.0325 -13.7113 -13.6699 PRESSURE: 2534800 -207.009 10.3865 -116.33 10.3877 -20.2091 -95.0876 -116.33 -95.0857 -266.392 GPRESSURE: 2534800 -275.338 46.4231 -50.9045 -60.5616 119.741 -103.338 -166.423 128.19 -241.565 PRESSAVG: 2534800 -26.882 34.3429 -11.2424 34.343 50.5992 14.1223 -11.2423 14.1223 3.30322 GPRESSAVG: 2534800 -27.5003 34.167 -12.483 34.2942 50.9645 16.2057 -12.0988 14.099 2.96547 TIMING: 2534800 CPU: 7916.49, 0.00311411/step Wall: 7916.49, 0.00311411/step, 2.13247 hours remaining, 233.742188 MB of memory in use. ENERGY: 2534800 4009.8068 20510.3328 14525.6153 253.6093 -203272.5158 2740.9445 0.0000 0.0000 51903.6545 -109328.5525 298.2910 -161232.2070 -108966.5351 299.1535 -164.5367 -132.3874 764151.9548 9.0068 8.8099 PRESSURE: 2535000 408.252 0.685441 105.183 0.683807 -1.20624 -119.267 105.183 -119.267 -5.26934 GPRESSURE: 2535000 403.282 -119.97 83.2942 -62.035 23.2781 -215.665 179.245 -90.0816 71.0633 PRESSAVG: 2535000 -35.8715 27.1824 -85.7382 27.1823 46.684 -27.5045 -85.7383 -27.5044 26.402 GPRESSAVG: 2535000 -35.9573 28.5766 -86.0137 24.5107 47.108 -28.6535 -85.8065 -28.2657 26.0024 TIMING: 2535000 CPU: 7917.12, 0.00311719/step Wall: 7917.12, 0.00311719/step, 2.13441 hours remaining, 233.742188 MB of memory in use. ENERGY: 2535000 3976.9763 20529.1994 14467.6645 234.9032 -203650.0292 3223.8711 0.0000 0.0000 51956.5874 -109260.8274 298.5952 -161217.4148 -108902.7710 299.0176 133.9254 165.8743 762569.6394 12.4049 12.3844 PRESSURE: 2535200 -260.706 -33.9393 106.539 -33.9384 -85.5854 -162.182 106.539 -162.182 61.1289 GPRESSURE: 2535200 -265.639 -43.9284 76.6722 36.0008 4.40379 -76.0739 75.4757 -187.668 55.3293 PRESSAVG: 2535200 9.83592 -3.69073 -25.6306 -3.69071 0.835394 -13.8848 -25.6305 -13.8849 -9.2189 GPRESSAVG: 2535200 10.6115 -6.49929 -23.1774 -0.181648 -0.752549 -12.8197 -26.6837 -13.9561 -8.27255 TIMING: 2535200 CPU: 7917.74, 0.0031375/step Wall: 7917.74, 0.0031375/step, 2.14814 hours remaining, 233.742188 MB of memory in use. ENERGY: 2535200 4055.8910 20489.7405 14440.4686 233.8964 -203837.8942 2983.6082 0.0000 0.0000 52277.3064 -109356.9832 300.4384 -161634.2896 -108995.7725 299.7167 -95.0540 -68.6353 762435.9891 0.4841 0.5288 PRESSURE: 2535400 -365.249 -47.0331 -287.612 -47.0329 8.64591 -151.209 -287.612 -151.21 -148.048 GPRESSURE: 2535400 -209.492 -47.2268 -312.278 36.1034 5.03797 -129.106 -231.24 -66.6427 -210.368 PRESSAVG: 2535400 -20.6919 10.0785 -64.8088 10.0785 -11.0614 -11.4793 -64.8088 -11.4792 -5.85329 GPRESSAVG: 2535400 -20.5392 11.4932 -65.6669 8.99888 -10.8643 -12.9484 -64.3791 -9.99403 -6.02014 TIMING: 2535400 CPU: 7918.37, 0.00314944/step Wall: 7918.37, 0.00314944/step, 2.15614 hours remaining, 233.742188 MB of memory in use. ENERGY: 2535400 3989.2423 20537.7504 14476.4092 230.2442 -203257.0822 2435.1299 0.0000 0.0000 52257.1628 -109331.1434 300.3226 -161588.3063 -108968.3245 299.4124 -168.2168 -138.2740 762482.8188 -12.5355 -12.4746 PRESSURE: 2535600 -338.603 61.5056 -182.118 61.5055 150.272 -5.3061 -182.12 -5.30718 -229.871 GPRESSURE: 2535600 -323.813 -10.9872 -165.827 92.4732 156.656 28.5747 -138.927 -1.72694 -179.146 PRESSAVG: 2535600 -82.8759 -1.38295 -7.73617 -1.38301 45.6646 -11.139 -7.73626 -11.1391 -2.80369 GPRESSAVG: 2535600 -84.2644 0.413505 -8.14754 -3.03079 45.5244 -9.35331 -6.13594 -10.3915 -1.51934 TIMING: 2535600 CPU: 7919, 0.00313541/step Wall: 7919, 0.00313541/step, 2.14636 hours remaining, 233.742188 MB of memory in use. ENERGY: 2535600 3974.2058 20470.9219 14360.9878 254.5514 -203352.9857 2673.3828 0.0000 0.0000 52430.6042 -109188.3319 301.3194 -161618.9361 -108816.6936 299.4295 -139.4008 -115.4344 763488.9656 -13.3383 -13.4198 PRESSURE: 2535800 -82.9059 -13.7065 271.702 -13.7066 112.663 193.246 271.703 193.247 -55.3833 GPRESSURE: 2535800 8.65146 -82.9738 334.707 0.0476413 135.051 105.432 237.401 36.1793 -74.9335 PRESSAVG: 2535800 -74.7509 11.0433 79.0266 11.0434 45.1233 13.8202 79.0266 13.8202 4.38903 GPRESSAVG: 2535800 -74.4523 8.112 80.3389 12.3802 45.616 12.7597 76.6039 10.6483 3.20969 TIMING: 2535800 CPU: 7919.62, 0.00312051/step Wall: 7919.62, 0.00312051/step, 2.13599 hours remaining, 233.742188 MB of memory in use. ENERGY: 2535800 3935.0644 20408.7202 14419.0762 275.6358 -202940.5441 2677.5217 0.0000 0.0000 52181.9115 -109042.6142 299.8902 -161224.5257 -108674.8560 299.3693 -8.5421 22.9229 764555.8950 -8.4129 -8.5422 PRESSURE: 2536000 -9.26495 -42.6472 -19.0513 -42.6465 145.271 -110.974 -19.0512 -110.974 -222.101 GPRESSURE: 2536000 132.326 -82.9385 62.7954 -51.7142 116.394 -121.8 -32.0663 -89.4753 -263.907 PRESSAVG: 2536000 19.5934 18.193 -8.09818 18.193 -7.74034 5.67105 -8.09819 5.67103 -13.847 GPRESSAVG: 2536000 19.7311 21.7382 -8.0897 16.759 -8.87914 6.06438 -6.77972 5.03154 -13.271 TIMING: 2536000 CPU: 7920.25, 0.0031385/step Wall: 7920.25, 0.0031385/step, 2.14813 hours remaining, 233.742188 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: 2536000 4004.7307 20558.4498 14461.8970 222.8421 -203411.7931 2876.0307 0.0000 0.0000 52122.4073 -109165.4355 299.5482 -161287.8428 -108806.5674 298.9135 -28.6985 -5.0623 763499.2515 -0.6646 -0.8063 PRESSURE: 2536200 -69.7786 -173.099 -8.44623 -173.099 111.632 -144.449 -8.44742 -144.448 -108.284 GPRESSURE: 2536200 -147.204 -129.547 -55.9313 -2.33336 177.106 -170.44 -96.2036 -109.281 -5.66505 PRESSAVG: 2536200 -6.56514 -8.56294 -10.3735 -8.56297 5.30441 34.2881 -10.3735 34.2882 4.95661 GPRESSAVG: 2536200 -8.11609 -9.45201 -10.7652 -5.44662 7.63435 33.3213 -9.29298 38.4464 4.3429 TIMING: 2536200 CPU: 7920.88, 0.00314331/step Wall: 7920.88, 0.00314331/step, 2.15125 hours remaining, 233.742188 MB of memory in use. ENERGY: 2536200 3926.0426 20496.7991 14501.6609 247.7616 -203107.2595 2784.2328 0.0000 0.0000 51734.8074 -109415.9551 297.3206 -161150.7624 -109050.9452 298.8312 -22.1435 8.0791 763574.7164 1.2320 1.2871 LDB: ============= START OF LOAD BALANCING ============== 7933.36 LDB: ============== END OF LOAD BALANCING =============== 7933.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7933.36 LDB: ============= START OF LOAD BALANCING ============== 7933.67 LDB: Largest compute 7064 load 0.029959 is 15.4% of average load 0.195172 LDB: Average compute 0.004390 is 2.2% of average load 0.195172 LDB: TIME 7933.68 LOAD: AVG 0.195172 MAX 0.217264 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.047 MB LDB: TIME 7933.68 LOAD: AVG 0.195172 MAX 0.217264 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.047 MB LDB: TIME 7933.68 LOAD: AVG 0.195172 MAX 0.217264 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.047 MB LDB: ============== END OF LOAD BALANCING =============== 7933.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7933.69 PRESSURE: 2536400 -2.02595 -101.504 142.424 -101.504 -68.7604 -31.6354 142.425 -31.6347 -214.275 GPRESSURE: 2536400 -51.9609 -178.484 84.2144 -70.8849 -35.3579 77.9067 24.1618 -26.7291 -118.891 PRESSAVG: 2536400 11.0934 -50.4908 -2.8183 -50.4908 36.1351 34.9237 -2.81835 34.9236 -3.37725 GPRESSAVG: 2536400 11.6763 -51.7892 -2.0506 -52.0126 35.2031 36.1069 -4.74951 30.9079 -3.00688 TIMING: 2536400 CPU: 7921.52, 0.00319297/step Wall: 7921.52, 0.00319297/step, 2.18505 hours remaining, 233.539062 MB of memory in use. ENERGY: 2536400 3926.6926 20507.1223 14473.1938 236.4509 -203296.2033 2644.8302 0.0000 0.0000 51988.7105 -109519.2031 298.7798 -161507.9135 -109147.8519 298.2288 -95.0204 -68.7366 762516.0459 14.6171 14.6242 PRESSURE: 2536600 116.522 -23.3934 253.358 -23.3926 60.7971 -84.0627 253.357 -84.0632 -22.4102 GPRESSURE: 2536600 165.222 59.2097 325.613 -79.883 67.155 -21.0611 119.428 -205.139 -14.349 PRESSAVG: 2536600 -44.2632 4.21728 22.3503 4.21724 78.0944 31.5917 22.3503 31.5917 4.5979 GPRESSAVG: 2536600 -44.434 4.03344 23.3331 4.88463 78.1589 30.6379 21.5336 33.5796 4.38959 TIMING: 2536600 CPU: 7922.14, 0.00310305/step Wall: 7922.14, 0.00310305/step, 2.12335 hours remaining, 233.539062 MB of memory in use. ENERGY: 2536600 3974.1538 20617.0188 14432.4059 240.4529 -203329.5141 2938.6645 0.0000 0.0000 51549.2293 -109577.5889 296.2541 -161126.8182 -109219.7663 298.2636 51.6362 72.6758 762633.4090 12.8097 12.7048 PRESSURE: 2536800 -396.266 -56.9487 -75.3417 -56.9484 -224.66 -18.4064 -75.3413 -18.406 10.662 GPRESSURE: 2536800 -410.87 -80.4594 -92.0602 -41.9445 -167.131 21.9691 -51.6854 -105.985 24.2293 PRESSAVG: 2536800 -45.4893 -13.0002 16.4805 -13.0002 39.0637 14.5641 16.4805 14.564 -0.57704 GPRESSAVG: 2536800 -45.2945 -11.8917 14.9375 -12.1355 38.1955 15.1155 17.4033 13.4088 0.168076 TIMING: 2536800 CPU: 7922.76, 0.00310614/step Wall: 7922.76, 0.00310614/step, 2.12529 hours remaining, 233.539062 MB of memory in use. ENERGY: 2536800 4060.9195 20664.2410 14377.7175 238.2230 -202977.5753 2428.7897 0.0000 0.0000 51602.2906 -109605.3941 296.5591 -161207.6847 -109249.9936 298.1584 -203.4213 -184.5906 765509.2364 -2.3342 -2.3103 PRESSURE: 2537000 -155.38 -214.102 52.6998 -214.102 -224.934 47.1654 52.6995 47.1651 -116.773 GPRESSURE: 2537000 -159.792 -280.567 98.6414 -184.784 -86.9296 65.4781 85.2569 12.3655 -177.886 PRESSAVG: 2537000 -64.0027 4.75299 26.2346 4.75301 44.5504 33.0339 26.2346 33.0339 -5.78071 GPRESSAVG: 2537000 -64.4645 4.15045 26.3262 3.27737 46.3892 33.2356 26.1156 32.9 -6.96458 TIMING: 2537000 CPU: 7923.39, 0.00312142/step Wall: 7923.39, 0.00312142/step, 2.13557 hours remaining, 233.539062 MB of memory in use. ENERGY: 2537000 3997.0425 20362.9603 14497.5558 236.4150 -203399.2891 2745.1855 0.0000 0.0000 51859.1067 -109701.0233 298.0350 -161560.1300 -109332.0402 298.0270 -165.6957 -141.5361 764946.9640 -8.4110 -8.3466 PRESSURE: 2537200 -324.779 -54.693 42.5045 -54.6934 -224.796 65.5106 42.5051 65.5102 89.5151 GPRESSURE: 2537200 -333.407 -53.2864 29.3481 -153.008 -110.902 121.275 8.37871 15.9036 81.1938 PRESSAVG: 2537200 -73.2643 1.54948 25.5776 1.54944 81.9331 29.2737 25.5776 29.2736 0.823799 GPRESSAVG: 2537200 -74.0728 3.16948 25.5636 0.885564 83.5261 30.9221 26.4463 28.1139 0.335265 TIMING: 2537200 CPU: 7924.01, 0.00313133/step Wall: 7924.01, 0.00313133/step, 2.14218 hours remaining, 233.539062 MB of memory in use. ENERGY: 2537200 3980.6791 20506.5842 14506.0540 239.7232 -203453.3041 2939.7953 0.0000 0.0000 51932.2051 -109348.2632 298.4551 -161280.4683 -108986.3647 298.4311 -153.3534 -121.0385 763109.5856 3.1642 3.2628 PRESSURE: 2537400 33.8309 -0.903661 65.3696 -0.903719 86.5743 -153.603 65.3693 -153.604 83.4878 GPRESSURE: 2537400 -16.6848 -77.3331 113.721 -26.4221 183.721 -123.267 44.3338 -141.066 131.068 PRESSAVG: 2537400 -84.4293 -7.249 -29.9312 -7.24909 75.7458 50.3967 -29.9312 50.3968 -12.7481 GPRESSAVG: 2537400 -82.4516 -8.34483 -29.8864 -6.40047 73.7609 49.8558 -31.1825 51.7714 -12.4324 TIMING: 2537400 CPU: 7924.64, 0.00312216/step Wall: 7924.64, 0.00312216/step, 2.13573 hours remaining, 233.539062 MB of memory in use. ENERGY: 2537400 3992.6911 20396.8808 14459.8383 239.4068 -203511.3605 2904.1320 0.0000 0.0000 52311.0432 -109207.3683 300.6323 -161518.4115 -108838.3140 298.9149 67.9643 99.3682 762385.6709 -7.1439 -7.0410 PRESSURE: 2537600 -139.921 184.748 -133.187 184.748 -179.137 -159.481 -133.187 -159.481 -486.801 GPRESSURE: 2537600 -32.2006 118.789 -92.4847 190.377 -153.127 -119.743 -95.5002 1.23707 -535.402 PRESSAVG: 2537600 -36.9097 -32.9253 -16.7759 -32.9254 33.5479 -5.50658 -16.7759 -5.50656 15.7378 GPRESSAVG: 2537600 -37.5272 -33.2186 -17.5656 -31.6804 34.0829 -7.12725 -17.1346 -3.48934 16.0146 TIMING: 2537600 CPU: 7925.26, 0.00311569/step Wall: 7925.26, 0.00311569/step, 2.13113 hours remaining, 233.539062 MB of memory in use. ENERGY: 2537600 4038.3518 20581.8329 14383.8208 260.1420 -202958.6770 2637.7380 0.0000 0.0000 51845.6192 -109211.1723 297.9575 -161056.7914 -108844.9875 298.8369 -268.6197 -240.2433 764190.6942 4.1253 4.1901 PRESSURE: 2537800 -312.138 -114.034 -166.135 -114.034 -192.545 -165.892 -166.135 -165.894 437.261 GPRESSURE: 2537800 -275.345 -59.4079 -68.2925 -139.624 -176.64 -57.4451 -143.789 -142.089 474.395 PRESSAVG: 2537800 -40.412 12.5631 -17.9962 12.5631 16.4582 29.3336 -17.9962 29.3336 7.14129 GPRESSAVG: 2537800 -40.2128 14.2618 -17.1872 11.8829 16.0612 31.0855 -16.8442 27.9369 7.17241 TIMING: 2537800 CPU: 7925.89, 0.00313481/step Wall: 7925.89, 0.00313481/step, 2.14404 hours remaining, 233.539062 MB of memory in use. ENERGY: 2537800 4036.1455 20705.3748 14463.5447 226.6335 -202961.8636 2545.1019 0.0000 0.0000 51782.6987 -109202.3645 297.5959 -160985.0633 -108847.9011 299.3851 -22.4740 7.4698 763562.9683 -5.6042 -5.6597 PRESSURE: 2538000 -242.974 -162.665 97.5257 -162.665 -101.587 -278.573 97.525 -278.573 105.635 GPRESSURE: 2538000 -198.043 -84.9071 150.004 -11.0475 -74.748 -171.292 55.4716 -355.913 115.912 PRESSAVG: 2538000 -27.9139 -43.6107 -3.88344 -43.6106 -13.3898 -34.7875 -3.88348 -34.7875 1.79522 GPRESSAVG: 2538000 -27.0491 -43.8257 -3.92398 -43.7127 -14.0244 -35.5726 -3.27082 -37.0571 1.64489 TIMING: 2538000 CPU: 7926.51, 0.00311612/step Wall: 7926.51, 0.00311612/step, 2.13108 hours remaining, 233.539062 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: 2538000 3952.5381 20469.3499 14488.0855 259.6009 -203201.9344 2845.1192 0.0000 0.0000 52028.8409 -109158.3998 299.0105 -161187.2407 -108783.5934 298.5712 -79.6417 -52.2931 763023.2937 -13.1695 -13.1429 PRESSURE: 2538200 111.951 -87.0163 -276.742 -87.0174 -110.044 -112.013 -276.742 -112.012 -393.636 GPRESSURE: 2538200 157.083 14.1736 -332.948 -43.6009 -145.763 -110.858 -323.285 -54.7606 -307.091 PRESSAVG: 2538200 37.4903 50.1271 -17.8264 50.1272 -32.9785 3.97401 -17.8264 3.97397 -11.8729 GPRESSAVG: 2538200 37.0636 50.3415 -20.5552 49.3048 -31.7575 3.81393 -16.9848 5.61554 -12.0216 TIMING: 2538200 CPU: 7927.13, 0.00312384/step Wall: 7927.13, 0.00312384/step, 2.13619 hours remaining, 233.539062 MB of memory in use. ENERGY: 2538200 3930.5916 20467.9943 14501.3791 249.5692 -202982.1676 2600.6077 0.0000 0.0000 52054.2147 -109177.8110 299.1563 -161232.0257 -108821.6050 299.2178 -130.5761 -98.5906 762945.4454 -2.4537 -2.2385 PRESSURE: 2538400 255.084 -13.1738 124.089 -13.1734 159.603 -279.079 124.089 -279.079 205.068 GPRESSURE: 2538400 297.188 96.0052 53.0919 17.2456 158.163 -259.969 59.2755 -318.986 216.983 PRESSAVG: 2538400 6.69572 25.7893 -50.3635 25.7893 6.8148 -37.1508 -50.3635 -37.1508 -9.34875 GPRESSAVG: 2538400 6.37998 25.1517 -47.3199 26.3802 7.06952 -37.2859 -53.4659 -36.2732 -9.37925 TIMING: 2538400 CPU: 7927.76, 0.00312866/step Wall: 7927.76, 0.00312866/step, 2.13931 hours remaining, 233.539062 MB of memory in use. ENERGY: 2538400 4052.8944 20670.9583 14432.5887 252.2033 -203679.3206 3035.3929 0.0000 0.0000 51908.0394 -109327.2437 298.3162 -161235.2831 -108969.5994 299.2727 206.5849 224.1113 761960.2192 1.3873 1.3567 PRESSURE: 2538600 99.2593 63.7451 50.9454 63.7446 239.855 15.8163 50.9453 15.8165 -263.426 GPRESSURE: 2538600 126.951 -46.2489 23.7068 -16.7296 237.067 27.8659 35.9793 -152.959 -220.895 PRESSAVG: 2538600 -18.826 16.9731 16.4864 16.9732 7.45404 -94.5205 16.4864 -94.5205 8.61973 GPRESSAVG: 2538600 -19.4502 15.6653 15.2516 17.1728 7.63881 -93.9494 18.9687 -95.1452 9.58468 TIMING: 2538600 CPU: 7928.38, 0.00311651/step Wall: 7928.38, 0.00311651/step, 2.13083 hours remaining, 233.539062 MB of memory in use. ENERGY: 2538600 3950.8398 20652.4593 14533.1323 226.1776 -203171.8434 2907.7598 0.0000 0.0000 51924.3125 -108977.1620 298.4097 -160901.4745 -108612.3295 298.7394 25.2294 47.7077 763095.9855 -0.9174 -0.7422 PRESSURE: 2538800 -33.4303 -76.2543 -147.845 -76.255 196.801 214.848 -147.844 214.848 -42.4624 GPRESSURE: 2538800 13.9343 -36.7713 -281.544 -182.549 222.764 247.198 -74.5098 213.296 -28.7564 PRESSAVG: 2538800 -50.1052 43.7002 -13.0899 43.7001 29.2241 -11.6619 -13.0898 -11.6618 -10.574 GPRESSAVG: 2538800 -49.654 43.1183 -13.4053 44.434 28.2312 -11.319 -13.9157 -11.7374 -10.9983 TIMING: 2538800 CPU: 7929.01, 0.00313752/step Wall: 7929.01, 0.00313752/step, 2.14502 hours remaining, 233.539062 MB of memory in use. ENERGY: 2538800 3879.6601 20605.0981 14490.8168 246.3804 -203054.6083 2786.5873 0.0000 0.0000 52184.1063 -108861.9594 299.9028 -161046.0657 -108498.1019 299.8009 40.3029 69.3141 763072.6114 -10.4850 -10.8070 PRESSURE: 2539000 -329.893 -105.936 -123.652 -105.937 -270.163 1.65186 -123.652 1.65079 -364.371 GPRESSURE: 2539000 -323.174 -97.4708 -25.4622 -33.9 -254.12 36.3778 -105.37 -13.8441 -303.862 PRESSAVG: 2539000 2.34877 -66.4757 3.38917 -66.4756 17.7412 49.1315 3.38908 49.1315 29.7996 GPRESSAVG: 2539000 3.05496 -65.4589 4.70248 -67.7362 18.4001 47.8187 2.44166 48.235 28.7517 TIMING: 2539000 CPU: 7929.64, 0.00312661/step Wall: 7929.64, 0.00312661/step, 2.13739 hours remaining, 233.539062 MB of memory in use. ENERGY: 2539000 4023.3755 20451.7797 14410.4724 230.6274 -203127.8688 2502.6292 0.0000 0.0000 52480.3749 -109028.6096 301.6054 -161508.9846 -108662.1206 300.0203 -321.4759 -293.7190 762829.5936 16.6298 16.7356 PRESSURE: 2539200 -148.188 5.65086 -93.2162 5.6515 -120.475 173.303 -93.2163 173.303 -154.008 GPRESSURE: 2539200 -117.455 147.927 -83.0799 -27.8568 -76.8435 189.834 -122.304 97.6126 -134.283 PRESSAVG: 2539200 -51.8718 -3.72506 -37.4466 -3.72503 32.0907 -13.2831 -37.4466 -13.283 -1.98959 GPRESSAVG: 2539200 -52.909 -2.95232 -36.052 -2.11885 32.163 -11.2922 -37.8007 -13.2974 -1.33474 TIMING: 2539200 CPU: 7930.26, 0.00311673/step Wall: 7930.26, 0.00311673/step, 2.13046 hours remaining, 233.539062 MB of memory in use. ENERGY: 2539200 3990.3458 20576.5516 14446.7504 262.6818 -203385.7870 2723.9580 0.0000 0.0000 52238.4610 -109147.0384 300.2152 -161385.4994 -108777.4813 299.6901 -140.8903 -109.5272 761898.0446 -7.2569 -7.3603 PRESSURE: 2539400 -343.689 17.8409 -94.9757 17.8412 16.8973 101.755 -94.976 101.754 -177.932 GPRESSURE: 2539400 -335.381 38.8404 -96.2867 -44.9913 40.6761 138.963 -95.0542 92.2092 -135.678 PRESSAVG: 2539400 -41.9206 52.425 14.3903 52.4251 60.1134 23.3109 14.3902 23.3109 3.94998 GPRESSAVG: 2539400 -42.2227 53.0219 13.9266 50.7935 60.0184 22.4645 14.3428 24.4875 4.21148 TIMING: 2539400 CPU: 7930.89, 0.0031372/step Wall: 7930.89, 0.0031372/step, 2.14428 hours remaining, 233.539062 MB of memory in use. ENERGY: 2539400 3979.2688 20633.3506 14456.5997 261.6410 -203180.6743 2736.5372 0.0000 0.0000 51960.7996 -109152.4774 298.6194 -161113.2771 -108787.5147 299.5999 -168.2413 -143.4610 762853.8726 7.3809 7.3357 PRESSURE: 2539600 -626.229 195.76 -36.0768 195.76 -167.347 -128.539 -36.0756 -128.539 -311.953 GPRESSURE: 2539600 -527.167 170.14 -53.471 212.97 -244.301 -77.3596 -77.8557 -115.817 -249.975 PRESSAVG: 2539600 -45.7976 15.2386 -10.1245 15.2386 19.0395 -13.2289 -10.1246 -13.2289 -9.16883 GPRESSAVG: 2539600 -46.5262 12.428 -10.5492 15.3254 18.3726 -14.6017 -9.42537 -13.4923 -8.26057 TIMING: 2539600 CPU: 7931.51, 0.00311913/step Wall: 7931.51, 0.00311913/step, 2.13175 hours remaining, 233.539062 MB of memory in use. ENERGY: 2539600 4030.8024 20457.0202 14436.1507 239.0639 -203259.5988 2589.7856 0.0000 0.0000 52296.3696 -109210.4064 300.5480 -161506.7760 -108840.4576 299.1333 -368.5095 -340.4808 761195.8959 -11.9756 -12.1381 PRESSURE: 2539800 -72.7067 81.3913 193.605 81.3913 -55.3951 0.197431 193.605 0.196573 42.8738 GPRESSURE: 2539800 -104.429 -81.8442 166.523 38.179 -20.5912 -11.1604 134.019 -25.7611 120.537 PRESSAVG: 2539800 18.931 27.2577 4.78364 27.2576 9.89734 3.28195 4.78361 3.2819 5.55458 GPRESSAVG: 2539800 19.8657 29.871 4.5845 26.2415 9.63736 3.95699 3.4414 3.77733 4.70342 TIMING: 2539800 CPU: 7932.13, 0.00311796/step Wall: 7932.13, 0.00311796/step, 2.13078 hours remaining, 233.539062 MB of memory in use. ENERGY: 2539800 4028.7684 20720.9677 14491.1297 232.8246 -202925.5314 2520.5651 0.0000 0.0000 51753.9363 -109177.3395 297.4306 -160931.2759 -108815.0921 299.5370 -28.4093 -1.4946 761556.9722 11.4610 11.4021 PRESSURE: 2540000 -86.3561 -34.9754 90.6744 -34.975 -199.168 29.6646 90.6741 29.6648 -93.2676 GPRESSURE: 2540000 -5.50231 39.9431 77.9412 -192.618 -211.975 80.8499 155.151 -66.026 -61.502 PRESSAVG: 2540000 5.17777 -7.79729 33.0265 -7.79726 10.4979 0.227999 33.0265 0.22804 15.0305 GPRESSAVG: 2540000 6.32542 -9.71854 32.595 -7.83078 9.37915 0.797409 33.7035 -2.29929 16.0143 TIMING: 2540000 CPU: 7932.76, 0.00310797/step Wall: 7932.76, 0.00310797/step, 2.12378 hours remaining, 233.539062 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: 2540000 4035.7467 20636.5476 14442.6378 260.1394 -203360.1899 2690.5048 0.0000 0.0000 52111.1426 -109183.4710 299.4835 -161294.6136 -108825.6617 299.6766 -126.2638 -92.9931 761881.9697 10.2354 10.5730 PRESSURE: 2540200 161.088 -78.6848 189.986 -78.6845 -2.1095 -348.787 189.986 -348.787 200.273 GPRESSURE: 2540200 227.509 -19.6365 190.68 -65.007 100.961 -344.476 136.916 -217.543 125.44 PRESSAVG: 2540200 -43.1901 -23.6787 13.8873 -23.6787 6.53023 -1.46457 13.8873 -1.46452 -17.8241 GPRESSAVG: 2540200 -43.7936 -22.9798 12.1252 -22.9698 7.29188 -1.18319 14.467 -1.4316 -18.2656 TIMING: 2540200 CPU: 7933.39, 0.00315059/step Wall: 7933.39, 0.00315059/step, 2.15273 hours remaining, 233.539062 MB of memory in use. ENERGY: 2540200 4035.2626 20584.1197 14416.5507 246.5896 -203393.3355 2974.0905 0.0000 0.0000 51996.5800 -109140.1423 298.8251 -161136.7223 -108776.0933 299.2301 119.7502 151.3032 763130.4273 -18.1614 -18.2558 LDB: ============= START OF LOAD BALANCING ============== 7945.87 LDB: ============== END OF LOAD BALANCING =============== 7945.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7945.87 LDB: ============= START OF LOAD BALANCING ============== 7946.18 LDB: Largest compute 7064 load 0.029614 is 15.2% of average load 0.195103 LDB: Average compute 0.004410 is 2.3% of average load 0.195103 LDB: TIME 7946.18 LOAD: AVG 0.195103 MAX 0.217886 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.051 MB LDB: TIME 7946.18 LOAD: AVG 0.195103 MAX 0.217886 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: TIME 7946.18 LOAD: AVG 0.195103 MAX 0.215809 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: ============== END OF LOAD BALANCING =============== 7946.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7946.19 PRESSURE: 2540400 -225.651 208.015 93.2415 208.015 -325.19 -181.258 93.2417 -181.26 -221.513 GPRESSURE: 2540400 -194.206 186.241 112.969 171.911 -331.648 -163.914 152.565 21.1856 -163.731 PRESSAVG: 2540400 -17.4525 -59.2674 33.2824 -59.2675 41.0412 16.4571 33.2824 16.457 -2.2752 GPRESSAVG: 2540400 -18.7992 -58.6811 35.5446 -58.7265 42.8194 14.932 32.4058 18.8296 -2.46462 TIMING: 2540400 CPU: 7934.03, 0.00319512/step Wall: 7934.03, 0.00319512/step, 2.18298 hours remaining, 234.824219 MB of memory in use. ENERGY: 2540400 4044.5855 20596.4619 14454.3110 231.4926 -203274.4852 2752.1258 0.0000 0.0000 52142.9472 -109052.5614 299.6662 -161195.5085 -108679.4411 299.5848 -257.4512 -229.8618 763155.1294 7.1045 7.1852 PRESSURE: 2540600 117.219 -105.337 142.25 -105.338 199.867 162.307 142.251 162.307 129.153 GPRESSURE: 2540600 260.284 -194.638 140.267 -127.566 157.263 199.15 76.3704 118.948 122.087 PRESSAVG: 2540600 -18.957 20.6244 38.9668 20.6245 6.46241 -0.880548 38.9667 -0.880608 5.01534 GPRESSAVG: 2540600 -16.8728 20.0842 37.9303 22.2476 4.61065 -1.83106 39.5144 -2.68939 4.95697 TIMING: 2540600 CPU: 7934.65, 0.00309958/step Wall: 7934.65, 0.00309957/step, 2.11753 hours remaining, 234.824219 MB of memory in use. ENERGY: 2540600 4003.4590 20582.4965 14500.4689 267.4218 -203161.8761 2620.2081 0.0000 0.0000 52149.7667 -109038.0551 299.7054 -161187.8219 -108672.3093 299.4917 148.7464 179.8779 762415.5979 -2.4931 -2.4351 PRESSURE: 2540800 -40.7693 -79.3458 9.18405 -79.3462 -123.653 151.756 9.18398 151.758 -91.441 GPRESSURE: 2540800 -133.039 -242.21 61.1354 -40.7861 -5.84384 28.6574 -10.1721 165.006 -32.7827 PRESSAVG: 2540800 -12.4658 -50.7347 25.0613 -50.7348 31.8792 -46.1016 25.0613 -46.1015 -20.2984 GPRESSAVG: 2540800 -12.9611 -51.6792 27.0736 -51.6478 32.2972 -42.9178 23.9979 -45.7174 -19.778 TIMING: 2540800 CPU: 7935.27, 0.00311299/step Wall: 7935.27, 0.00311299/step, 2.12652 hours remaining, 234.824219 MB of memory in use. ENERGY: 2540800 4036.3116 20643.7432 14418.2755 239.4726 -203404.1907 2879.7075 0.0000 0.0000 52110.5406 -109076.1398 299.4800 -161186.6803 -108716.9274 299.4747 -85.2877 -57.2218 762504.3388 -0.2950 -0.1473 PRESSURE: 2541000 -96.8232 77.4097 -108.528 77.409 -161.315 -315.265 -108.528 -315.265 -9.04057 GPRESSURE: 2541000 -78.5138 120.241 -12.1504 -26.8434 -64.9261 -382.954 -46.3967 -159.344 -26.4601 PRESSAVG: 2541000 22.7103 2.58716 -11.362 2.58718 -29.7363 -50.1739 -11.362 -50.1739 -1.74121 GPRESSAVG: 2541000 22.2378 2.96065 -13.556 1.3735 -28.911 -52.3556 -10.0886 -50.645 -2.54777 TIMING: 2541000 CPU: 7935.9, 0.00315955/step Wall: 7935.9, 0.00315955/step, 2.15815 hours remaining, 234.824219 MB of memory in use. ENERGY: 2541000 4032.1203 20718.7858 14468.9677 248.1613 -203248.7556 2848.8302 0.0000 0.0000 51778.7046 -109153.1858 297.5729 -160931.8904 -108794.8264 299.1213 -89.0595 -56.6333 762604.3480 -2.9224 -3.0737 PRESSURE: 2541200 -400.39 -57.2056 -32.3807 -57.2057 60.0509 -99.0656 -32.3798 -99.0662 367.295 GPRESSURE: 2541200 -315.666 3.63631 -23.0572 -6.21688 33.9952 -54.3149 -153.875 -34.0874 385.934 PRESSAVG: 2541200 -20.4126 25.5997 1.59117 25.5997 9.78059 25.7745 1.59106 25.7744 23.0222 GPRESSAVG: 2541200 -19.6326 27.2423 2.50293 25.997 8.50058 26.2556 -0.956308 26.275 23.823 TIMING: 2541200 CPU: 7936.52, 0.0031236/step Wall: 7936.52, 0.0031236/step, 2.13342 hours remaining, 234.824219 MB of memory in use. ENERGY: 2541200 3951.0501 20521.6537 14485.3381 238.4216 -202947.5981 2553.8516 0.0000 0.0000 52084.7293 -109112.5537 299.3317 -161197.2830 -108746.3795 299.3682 8.9851 34.7542 762252.0385 4.1301 4.2303 PRESSURE: 2541400 206.157 -10.9669 -388.945 -10.9667 305.251 17.0662 -388.946 17.0656 -91.83 GPRESSURE: 2541400 296.118 59.7858 -356.443 -16.9141 314.92 4.93073 -217.604 46.5051 -95.3004 PRESSAVG: 2541400 -19.4709 -11.3619 1.45476 -11.3618 16.0143 34.6119 1.4547 34.612 -28.7268 GPRESSAVG: 2541400 -19.101 -10.5115 1.01258 -10.9124 16.9719 35.2385 2.74102 34.7584 -29.7828 TIMING: 2541400 CPU: 7937.15, 0.00312282/step Wall: 7937.15, 0.00312282/step, 2.13271 hours remaining, 234.824219 MB of memory in use. ENERGY: 2541400 3935.5690 20641.0264 14538.7579 247.5045 -203445.2224 2919.7203 0.0000 0.0000 51850.7089 -109311.9353 297.9867 -161162.6442 -108956.3665 299.0653 139.8594 171.9125 762123.9215 -10.7278 -10.6373 PRESSURE: 2541600 216.308 -98.4544 -268.921 -98.4541 -282.461 126.567 -268.92 126.566 137.627 GPRESSURE: 2541600 231.885 -162.834 -257.007 -78.9334 -190.177 137.259 -172.178 138.777 119.61 PRESSAVG: 2541600 35.7425 2.55946 12.0622 2.55954 -4.33721 -22.5289 12.0623 -22.5288 12.4377 GPRESSAVG: 2541600 35.0551 0.944001 12.9081 1.8242 -3.22954 -22.5675 14.8099 -21.701 12.0722 TIMING: 2541600 CPU: 7937.77, 0.00310089/step Wall: 7937.77, 0.00310089/step, 2.11757 hours remaining, 234.824219 MB of memory in use. ENERGY: 2541600 4065.3585 20589.0347 14537.5052 253.3430 -203194.7086 2640.1219 0.0000 0.0000 51986.1039 -109123.2414 298.7649 -161109.3453 -108765.2331 298.7732 23.8243 53.7724 761836.3599 14.6143 14.6326 PRESSURE: 2541800 77.4441 -303.836 -11.9415 -303.836 38.8681 -178.135 -11.9412 -178.134 1.84476 GPRESSURE: 2541800 111.674 -239.711 0.0235628 -269.144 80.556 -161.868 -58.7444 -41.5654 12.2145 PRESSAVG: 2541800 76.3838 -53.0349 -14.3737 -53.0349 -78.197 -14.2301 -14.3737 -14.2301 0.951182 GPRESSAVG: 2541800 76.0986 -52.0999 -15.901 -52.62 -78.4538 -14.6519 -16.5334 -14.3328 1.70636 TIMING: 2541800 CPU: 7938.39, 0.00312044/step Wall: 7938.39, 0.00312044/step, 2.13074 hours remaining, 234.824219 MB of memory in use. ENERGY: 2541800 4010.0835 20421.9766 14451.2378 254.3617 -203488.0243 3069.2991 0.0000 0.0000 52220.1517 -109060.9139 300.1099 -161281.0656 -108684.9729 299.2708 39.3857 68.1481 762161.0689 -0.2873 -0.2163 PRESSURE: 2542000 -57.0786 -134.348 -24.2985 -134.349 -48.2834 48.8692 -24.299 48.8694 -188.413 GPRESSURE: 2542000 -19.9422 -42.2107 -177.744 -172.999 -80.5535 176.514 -35.6183 32.9628 -109.163 PRESSAVG: 2542000 10.1055 22.3299 -37.304 22.3299 -12.3649 24.869 -37.304 24.869 7.96145 GPRESSAVG: 2542000 10.3767 21.6452 -37.7117 21.751 -13.2109 24.2139 -37.2974 23.5532 7.95614 TIMING: 2542000 CPU: 7939.02, 0.00312815/step Wall: 7939.02, 0.00312815/step, 2.13583 hours remaining, 234.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2542000 4080.2789 20541.6546 14389.4542 250.0052 -203184.8202 2950.2066 0.0000 0.0000 51924.9719 -109048.2487 298.4135 -160973.2207 -108689.5603 299.6974 -97.9250 -69.8861 763118.8176 1.9007 1.7073 PRESSURE: 2542200 -15.851 108.541 -159.646 108.54 -143.17 213.062 -159.645 213.061 99.8896 GPRESSURE: 2542200 -84.0814 63.2896 -100.801 69.4093 9.57268 211.315 -94.7942 126.327 109.316 PRESSAVG: 2542200 44.1196 -20.697 -34.0374 -20.6971 0.670378 -0.195986 -34.0375 -0.195953 1.75342 GPRESSAVG: 2542200 42.9081 -22.0281 -30.5339 -19.4316 0.437189 -0.172156 -34.2238 -1.17062 3.29579 TIMING: 2542200 CPU: 7939.64, 0.00311583/step Wall: 7939.64, 0.00311583/step, 2.12725 hours remaining, 234.824219 MB of memory in use. ENERGY: 2542200 4028.3870 20641.7696 14492.7534 228.0229 -203374.4169 2890.0686 0.0000 0.0000 51875.9134 -109217.5020 298.1316 -161093.4154 -108862.2174 299.1000 -19.7106 11.6024 763360.1982 15.5145 15.5470 PRESSURE: 2542400 -235.034 82.6989 211.882 82.6982 -16.6727 -167.21 211.882 -167.21 -200.299 GPRESSURE: 2542400 -164.078 12.0035 240.97 104.446 -27.3497 -187.742 -39.4606 -86.3564 -175.933 PRESSAVG: 2542400 -26.4932 -34.9659 -0.193294 -34.9658 14.8955 -27.9191 -0.193336 -27.9191 -11.753 GPRESSAVG: 2542400 -25.5519 -33.5608 -2.55282 -35.6475 15.2681 -28.7305 -0.695883 -25.5911 -12.8012 TIMING: 2542400 CPU: 7940.26, 0.00310875/step Wall: 7940.26, 0.00310875/step, 2.12224 hours remaining, 234.824219 MB of memory in use. ENERGY: 2542400 4002.5370 20622.7987 14538.1414 231.2506 -203265.2263 2748.0253 0.0000 0.0000 51965.1729 -109157.3006 298.6446 -161122.4734 -108797.2255 298.8372 -150.6688 -122.4534 762981.8588 -7.7836 -7.6950 PRESSURE: 2542600 -176.15 39.1079 10.1168 39.1072 -184.835 82.3744 10.1164 82.3736 -157.696 GPRESSURE: 2542600 -176.993 43.2082 -33.3424 68.2186 -88.9902 61.3743 11.9094 110.419 -177.741 PRESSAVG: 2542600 -33.3556 58.3888 3.96981 58.3888 38.3033 -27.3212 3.96972 -27.3212 -9.25258 GPRESSAVG: 2542600 -31.6053 56.0706 1.86637 58.8325 38.046 -27.9195 6.22278 -27.3678 -10.3994 TIMING: 2542600 CPU: 7940.89, 0.00311421/step Wall: 7940.89, 0.00311421/step, 2.1258 hours remaining, 234.824219 MB of memory in use. ENERGY: 2542600 3946.6674 20472.2691 14455.2847 239.6859 -203424.5468 3046.1424 0.0000 0.0000 52185.7134 -109078.7838 299.9120 -161264.4972 -108709.7006 298.9897 -172.8939 -147.9082 762984.3860 -1.4350 -1.3196 PRESSURE: 2542800 -155.26 -94.406 -168.817 -94.4063 -355.124 171.153 -168.817 171.154 -224.175 GPRESSURE: 2542800 -234.969 -136.712 -148.241 -11.0697 -201.156 174.885 10.2774 197.027 -210.451 PRESSAVG: 2542800 22.7658 -8.46602 -21.3572 -8.46602 -30.5048 14.3851 -21.3572 14.3851 10.7358 GPRESSAVG: 2542800 20.4389 -6.60768 -17.9538 -8.67402 -29.4857 16.116 -21.5975 13.4371 11.9568 TIMING: 2542800 CPU: 7941.51, 0.00311291/step Wall: 7941.51, 0.00311291/step, 2.12474 hours remaining, 234.824219 MB of memory in use. ENERGY: 2542800 4037.7017 20628.0928 14465.0131 252.1045 -203085.0562 2578.7125 0.0000 0.0000 52134.0215 -108989.4102 299.6149 -161123.4317 -108633.8567 299.0689 -244.8531 -215.5252 764070.9729 0.9990 0.9700 PRESSURE: 2543000 -259.738 -133.297 209.352 -133.297 -516.077 26.5643 209.352 26.5651 -366.126 GPRESSURE: 2543000 -223.736 -150.099 127.445 -152.425 -425.9 49.6578 211.304 28.5898 -389.69 PRESSAVG: 2543000 -4.73183 -64.171 14.9093 -64.1709 -24.0504 37.3262 14.9093 37.3262 11.4464 GPRESSAVG: 2543000 -3.80431 -65.581 16.1199 -63.2135 -24.4238 36.2136 14.0191 37.2052 11.021 TIMING: 2543000 CPU: 7942.13, 0.0031188/step Wall: 7942.13, 0.0031188/step, 2.12858 hours remaining, 234.824219 MB of memory in use. ENERGY: 2543000 3928.5687 20407.6796 14525.0622 242.6212 -202766.8066 2429.7494 0.0000 0.0000 52208.3632 -109024.7621 300.0422 -161233.1254 -108655.0336 299.3051 -380.6468 -346.4421 762178.6561 -5.7786 -5.7357 PRESSURE: 2543200 -303.43 -221.727 35.4745 -221.727 -187.44 -119.429 35.4743 -119.429 -254.07 GPRESSURE: 2543200 -192 -270.884 94.2713 -135.883 -215.129 -236.633 -51.2426 -123.278 -260.466 PRESSAVG: 2543200 -20.0359 -44.3926 48.1702 -44.3926 27.7424 -11.9717 48.1702 -11.9717 16.229 GPRESSAVG: 2543200 -19.4971 -41.7468 46.2038 -48.2119 28.0552 -10.7469 47.8482 -11.8243 15.4526 TIMING: 2543200 CPU: 7942.75, 0.00310731/step Wall: 7942.75, 0.00310731/step, 2.12056 hours remaining, 234.824219 MB of memory in use. ENERGY: 2543200 4025.1065 20538.8473 14539.7426 247.5403 -202531.2531 2371.6834 0.0000 0.0000 52010.8577 -108797.4753 298.9071 -160808.3330 -108440.1870 299.5466 -248.3132 -222.5320 765189.6206 7.9785 8.0036 PRESSURE: 2543400 -285.05 -55.6982 -131.848 -55.6982 -19.5348 3.99059 -131.847 3.99115 33.7923 GPRESSURE: 2543400 -229.991 -52.3523 -186.606 -27.1383 46.0736 27.6891 -143.481 -20.8771 -7.94419 PRESSAVG: 2543400 -14.5074 -49.5968 37.2498 -49.5969 47.7623 -22.4835 37.2498 -22.4836 -0.963046 GPRESSAVG: 2543400 -14.5651 -52.2479 37.8663 -46.6584 47.8592 -22.3352 35.9818 -23.032 -0.525377 TIMING: 2543400 CPU: 7943.37, 0.00309412/step Wall: 7943.37, 0.00309412/step, 2.11139 hours remaining, 234.824219 MB of memory in use. ENERGY: 2543400 4008.5599 20455.6248 14516.2788 241.1895 -202517.8359 2398.1755 0.0000 0.0000 51970.4961 -108927.5113 298.6752 -160898.0074 -108566.2103 299.0791 -90.2643 -63.9537 764234.0593 10.7640 10.9229 PRESSURE: 2543600 201.574 262.648 -72.5813 262.648 -52.4187 122.037 -72.5813 122.038 49.7161 GPRESSURE: 2543600 186.572 322.721 -2.35503 113.431 95.3135 26.6308 -97.1631 146.404 -15.7204 PRESSAVG: 2543600 -65.5389 -21.42 -10.8195 -21.42 65.1807 -32.7489 -10.8194 -32.7488 -5.54413 GPRESSAVG: 2543600 -67.6543 -19.1589 -11.534 -22.1941 66.0898 -33.3325 -9.4596 -32.8915 -4.39677 TIMING: 2543600 CPU: 7944, 0.00312839/step Wall: 7944, 0.00312839/step, 2.1346 hours remaining, 234.824219 MB of memory in use. ENERGY: 2543600 3943.0101 20531.0084 14485.3528 256.3742 -203215.9105 2742.6991 0.0000 0.0000 52230.8481 -109026.6177 300.1714 -161257.4659 -108666.9129 298.4807 66.2904 88.7217 763568.4852 -1.9674 -1.9871 PRESSURE: 2543800 10.4311 52.0228 243.397 52.023 -122.803 -63.8247 243.397 -63.8242 -236.725 GPRESSURE: 2543800 29.3735 111.822 194.969 93.3119 -119.518 -73.841 258.827 -1.62814 -166.857 PRESSAVG: 2543800 4.68815 22.5028 -19.4371 22.5028 16.9118 40.3616 -19.4371 40.3616 29.7091 GPRESSAVG: 2543800 6.92123 21.962 -20.4171 21.5795 15.2522 39.6003 -18.0339 42.5562 29.0891 TIMING: 2543800 CPU: 7944.63, 0.00313993/step Wall: 7944.63, 0.00313993/step, 2.14231 hours remaining, 234.824219 MB of memory in use. ENERGY: 2543800 3900.9237 20466.8554 14495.7738 265.2943 -203262.2286 2777.7918 0.0000 0.0000 52036.4800 -109319.1096 299.0544 -161355.5897 -108950.4388 298.4769 -116.3658 -85.6672 763718.4975 17.1030 17.0875 PRESSURE: 2544000 -12.0662 127.684 11.2823 127.685 110.002 -195.573 11.2828 -195.574 -212.774 GPRESSURE: 2544000 -11.3715 139.452 -0.688219 1.94384 152.77 -262.114 -37.0595 -205.356 -181.162 PRESSAVG: 2544000 -25.9726 38.3753 -46.7674 38.3754 11.5031 -29.132 -46.7675 -29.1322 -2.24483 GPRESSAVG: 2544000 -26.4442 37.2391 -46.6341 40.0245 12.2377 -29.3931 -47.7559 -31.5751 -2.67703 TIMING: 2544000 CPU: 7945.26, 0.00314391/step Wall: 7945.26, 0.00314391/step, 2.14485 hours remaining, 234.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2544000 4008.8101 20400.4114 14571.3842 261.4089 -203579.1682 2899.0330 0.0000 0.0000 52348.6018 -109089.5188 300.8481 -161438.1206 -108731.1427 299.1785 -38.2797 -13.2547 763164.9483 -5.5715 -5.6279 PRESSURE: 2544200 152.11 -64.9667 -28.3093 -64.9661 107.012 65.358 -28.3094 65.3576 190.304 GPRESSURE: 2544200 112.514 -58.1092 29.4478 -24.8321 225.41 134.296 -154.327 -16.9531 191.832 PRESSAVG: 2544200 22.0166 15.1132 17.7994 15.1132 -0.664175 -26.117 17.7994 -26.1171 -5.07278 GPRESSAVG: 2544200 21.4218 16.0166 18.3351 14.8273 0.398172 -25.304 17.6552 -25.7493 -5.84546 TIMING: 2544200 CPU: 7945.88, 0.00311864/step Wall: 7945.88, 0.00311864/step, 2.12744 hours remaining, 234.824219 MB of memory in use. ENERGY: 2544200 3950.0299 20673.3744 14549.9565 265.9973 -203548.9265 2976.3065 0.0000 0.0000 52075.2070 -109058.0548 299.2769 -161133.2618 -108708.0902 299.2411 149.8085 176.5851 763394.2121 5.4265 5.3248 LDB: ============= START OF LOAD BALANCING ============== 7958.36 LDB: ============== END OF LOAD BALANCING =============== 7958.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7958.36 LDB: ============= START OF LOAD BALANCING ============== 7958.67 LDB: Largest compute 7034 load 0.030285 is 15.5% of average load 0.195124 LDB: Average compute 0.004393 is 2.3% of average load 0.195124 LDB: TIME 7958.67 LOAD: AVG 0.195124 MAX 0.219593 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.285 MB LDB: TIME 7958.67 LOAD: AVG 0.195124 MAX 0.219593 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.359 MB LDB: TIME 7958.67 LOAD: AVG 0.195124 MAX 0.213047 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.359 MB LDB: ============== END OF LOAD BALANCING =============== 7958.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7958.68 PRESSURE: 2544400 -374.244 -87.8778 -33.9379 -87.8771 -56.4349 255.25 -33.9377 255.25 81.8377 GPRESSURE: 2544400 -287.454 -81.1723 -0.934006 -109.54 -64.9163 199.674 -38.4069 223.149 73.2267 PRESSAVG: 2544400 12.0997 -13.6268 -3.4264 -13.6268 -42.6173 40.5898 -3.4264 40.5898 1.19396 GPRESSAVG: 2544400 12.7203 -14.4524 -4.85622 -13.5315 -44.8478 38.931 -2.72306 41.29 2.46309 TIMING: 2544400 CPU: 7946.51, 0.00317684/step Wall: 7946.51, 0.00317684/step, 2.16695 hours remaining, 234.253906 MB of memory in use. ENERGY: 2544400 3944.3769 20545.8689 14522.2711 241.9501 -203132.4348 2735.5534 0.0000 0.0000 52154.9402 -108987.4742 299.7352 -161142.4144 -108621.5044 299.5294 -116.2804 -93.0478 763852.6171 -9.7745 -9.8881 PRESSURE: 2544600 170.088 -49.3256 -275.866 -49.3262 201.691 183.957 -275.865 183.957 -130.214 GPRESSURE: 2544600 198.079 -6.3257 -329.73 -133.419 223.88 75.9813 -168.145 201.082 -92.7506 PRESSAVG: 2544600 33.6288 -55.7224 -13.142 -55.7225 -2.10163 36.0977 -13.1421 36.0979 -11.1897 GPRESSAVG: 2544600 33.4658 -54.9084 -10.5765 -57.5626 -1.10169 36.3333 -13.651 36.9218 -11.865 TIMING: 2544600 CPU: 7947.14, 0.00310974/step Wall: 7947.14, 0.00310974/step, 2.12102 hours remaining, 234.253906 MB of memory in use. ENERGY: 2544600 4063.3746 20572.1479 14525.9400 259.8852 -203519.5752 3139.6983 0.0000 0.0000 52142.6397 -108815.8895 299.6645 -160958.5292 -108445.7782 300.0567 80.5218 109.7361 762128.4829 6.7792 6.8330 PRESSURE: 2544800 137.23 67.425 -120.013 67.4251 -287.515 -75.2852 -120.014 -75.2846 418.071 GPRESSURE: 2544800 150.2 -25.0474 -116.402 119.78 -157.669 -104.4 -108.164 -77.888 366.387 PRESSAVG: 2544800 -8.31829 -16.6397 -16.7133 -16.6397 38.3494 -0.430467 -16.7134 -0.430507 -16.3023 GPRESSAVG: 2544800 -9.15923 -15.0363 -16.5042 -15.1089 39.5021 0.119427 -18.5985 -0.567034 -16.4077 TIMING: 2544800 CPU: 7947.76, 0.00310214/step Wall: 7947.76, 0.00310214/step, 2.11566 hours remaining, 234.253906 MB of memory in use. ENERGY: 2544800 4067.1592 20469.1875 14424.1011 256.9226 -203365.1853 2931.4998 0.0000 0.0000 52468.8135 -108747.5016 301.5390 -161216.3151 -108382.0338 299.9937 89.2622 119.6393 763943.2690 4.5763 4.6451 PRESSURE: 2545000 8.93768 -19.1969 176.375 -19.1968 -110.011 136.508 176.374 136.507 -395.373 GPRESSURE: 2545000 15.8801 60.2453 98.3444 -10.8716 -79.3282 87.8068 115.731 300.572 -358.747 PRESSAVG: 2545000 34.6646 17.1625 -15.2742 17.1625 -41.6788 -1.47943 -15.2742 -1.47943 -0.517716 GPRESSAVG: 2545000 36.2409 14.5855 -17.0714 16.9811 -42.297 0.233332 -14.2921 -0.988374 -1.75488 TIMING: 2545000 CPU: 7948.38, 0.00311304/step Wall: 7948.38, 0.00311304/step, 2.12292 hours remaining, 234.253906 MB of memory in use. ENERGY: 2545000 3984.3808 20611.1472 14432.6490 239.3031 -203085.8942 2659.3452 0.0000 0.0000 52043.1652 -109115.9036 299.0928 -161159.0688 -108755.8282 299.6069 -165.4822 -140.7315 764317.8622 -2.5106 -2.6037 PRESSURE: 2545200 -106.451 -2.36211 -56.3253 -2.36125 -227.299 -54.3058 -56.3257 -54.3046 -80.9974 GPRESSURE: 2545200 -14.9917 26.7721 -29.2295 90.2527 -258.571 -94.6178 -14.3289 -124.439 -66.1942 PRESSAVG: 2545200 35.362 -26.2208 -66.3557 -26.2208 17.3792 -21.8612 -66.3558 -21.8612 2.04266 GPRESSAVG: 2545200 34.3969 -25.283 -65.3326 -26.4774 17.0655 -23.964 -65.9599 -22.0272 3.61371 TIMING: 2545200 CPU: 7949, 0.00312044/step Wall: 7949, 0.00312044/step, 2.1278 hours remaining, 234.253906 MB of memory in use. ENERGY: 2545200 3906.7873 20473.8096 14510.6313 249.2495 -203324.1188 2839.1554 0.0000 0.0000 52237.7953 -109106.6904 300.2113 -161344.4857 -108739.9093 298.9099 -138.2491 -113.2522 762636.1391 18.2613 18.3587 PRESSURE: 2545400 -194.326 407.287 18.1727 407.287 115.756 -61.5292 18.1729 -61.5289 139.594 GPRESSURE: 2545400 -258.065 345.771 27.6678 368.45 268.886 -49.8808 45.0316 -245.9 154.342 PRESSAVG: 2545400 21.8134 2.83806 0.346267 2.83807 -17.295 -3.52707 0.346247 -3.52704 -12.5461 GPRESSAVG: 2545400 22.2526 1.36601 1.64488 3.68737 -16.2674 -3.33277 -0.00652493 -5.08823 -13.7468 TIMING: 2545400 CPU: 7949.63, 0.00312383/step Wall: 7949.63, 0.00312383/step, 2.12993 hours remaining, 234.253906 MB of memory in use. ENERGY: 2545400 3991.4240 20384.9891 14470.4021 245.8316 -202924.8377 2928.4721 0.0000 0.0000 52061.7725 -108841.9464 299.1997 -160903.7189 -108475.5233 299.4149 20.3411 55.0542 763447.8395 -2.6759 -2.5872 PRESSURE: 2545600 -283.195 -58.2122 -8.66233 -58.2122 -254.962 -3.17055 -8.66186 -3.16868 60.2821 GPRESSURE: 2545600 -180.495 -100.408 -2.73932 -64.2949 -217.605 26.4057 2.69952 32.1766 22.3372 PRESSAVG: 2545600 38.0747 -1.24855 73.0554 -1.24856 -32.2209 16.394 73.0555 16.3941 -0.0454399 GPRESSAVG: 2545600 40.8842 0.147017 71.1363 -2.40628 -33.5932 15.3402 74.6848 18.2919 -0.732778 TIMING: 2545600 CPU: 7950.26, 0.0031353/step Wall: 7950.26, 0.0031353/step, 2.13758 hours remaining, 234.253906 MB of memory in use. ENERGY: 2545600 4007.0777 20547.5415 14454.1172 240.2867 -203306.0357 2841.0332 0.0000 0.0000 52479.3199 -108736.6595 301.5994 -161215.9794 -108368.9870 299.7620 -159.2916 -125.2540 762209.2682 1.9361 2.1861 PRESSURE: 2545800 188.235 -192.269 66.9127 -192.27 -8.39944 4.24771 66.9121 4.24694 173.596 GPRESSURE: 2545800 168.494 -270.764 109.457 -7.7876 39.2312 -47.9298 -3.11025 0.446599 224.089 PRESSAVG: 2545800 47.6445 22.8725 -0.145111 22.8725 -10.4832 -2.25041 -0.145209 -2.25055 18.9683 GPRESSAVG: 2545800 44.5651 20.5099 0.430551 25.1232 -9.40205 0.249892 -0.45657 -3.97712 20.4882 TIMING: 2545800 CPU: 7950.88, 0.00310919/step Wall: 7950.88, 0.00310919/step, 2.11961 hours remaining, 234.253906 MB of memory in use. ENERGY: 2545800 4054.1186 20724.2967 14456.0306 240.6954 -203189.0549 2901.6387 0.0000 0.0000 51960.9214 -108851.3537 298.6201 -160812.2750 -108494.1996 300.0421 117.8105 143.9381 762470.3835 18.7099 18.5504 PRESSURE: 2546000 -1.67635 19.433 87.9247 19.4332 151.357 -65.1261 87.9244 -65.1257 -29.0474 GPRESSURE: 2546000 -15.8661 97.3509 -25.7311 -70.6189 182.107 84.6309 18.1106 15.434 35.2844 PRESSAVG: 2546000 31.7395 12.3053 65.7099 12.3053 -20.5754 -45.0594 65.7099 -45.0595 21.5155 GPRESSAVG: 2546000 32.6227 13.0987 65.0834 12.0564 -20.476 -45.6925 65.511 -43.8972 21.0448 TIMING: 2546000 CPU: 7951.5, 0.0031006/step Wall: 7951.5, 0.0031006/step, 2.11358 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2546000 3946.7597 20638.1651 14504.4436 245.6928 -203281.3608 2948.6694 0.0000 0.0000 52157.4309 -108840.1992 299.7495 -160997.6301 -108487.5421 300.0453 40.2111 67.1751 763001.6204 10.8932 11.0638 PRESSURE: 2546200 33.0872 66.0999 -40.2166 66.0999 104.368 74.5542 -40.2167 74.5546 -116.788 GPRESSURE: 2546200 11.084 14.7426 -24.3923 99.5604 147.813 -13.8567 -44.9736 168.491 -60.1738 PRESSAVG: 2546200 12.8013 -19.6733 -1.08374 -19.6734 7.44933 -12.6547 -1.08372 -12.6547 -17.0477 GPRESSAVG: 2546200 12.3047 -19.6936 -3.10516 -20.1272 6.87976 -11.2976 -0.888382 -13.6488 -15.7068 TIMING: 2546200 CPU: 7952.12, 0.00311441/step Wall: 7952.12, 0.00311441/step, 2.12281 hours remaining, 234.253906 MB of memory in use. ENERGY: 2546200 4023.7131 20611.8283 14488.2189 245.3031 -203143.1943 2851.8883 0.0000 0.0000 52023.0535 -108899.1891 298.9772 -160922.2426 -108540.2761 299.8002 6.8888 32.9078 764195.3855 1.0676 1.1592 PRESSURE: 2546400 219.788 -87.2135 159.876 -87.214 -88.6005 -390.513 159.876 -390.513 91.5384 GPRESSURE: 2546400 244.236 -0.0241713 89.8028 -75.7503 -73.6784 -315.852 232.744 -399.415 140.567 PRESSAVG: 2546400 7.68975 -32.3111 18.5187 -32.311 -30.7593 -49.3775 18.5187 -49.3775 15.3902 GPRESSAVG: 2546400 8.62046 -31.6222 20.5836 -34.5655 -31.4025 -49.0172 19.2786 -48.3187 14.8115 TIMING: 2546400 CPU: 7952.75, 0.00313502/step Wall: 7952.75, 0.00313502/step, 2.13669 hours remaining, 234.253906 MB of memory in use. ENERGY: 2546400 4001.2028 20514.0052 14514.6731 238.0340 -203301.4192 2862.1298 0.0000 0.0000 52063.8516 -109107.5228 299.2117 -161171.3744 -108745.0801 299.6272 74.2419 103.7079 763415.8793 -2.5598 -2.6568 PRESSURE: 2546600 86.4289 -102.222 -32.9224 -102.222 40.8267 179.904 -32.9227 179.904 141.856 GPRESSURE: 2546600 118.172 -27.1617 -55.0734 -94.5663 146.095 111.928 -176.632 205.218 91.0392 PRESSAVG: 2546600 4.8463 -29.2461 -25.9638 -29.2461 15.3583 -48.87 -25.9638 -48.8699 4.33398 GPRESSAVG: 2546600 5.34891 -31.2036 -26.7819 -25.773 15.5541 -51.2313 -25.2425 -49.9261 4.02146 TIMING: 2546600 CPU: 7953.38, 0.00315225/step Wall: 7953.38, 0.00315225/step, 2.14826 hours remaining, 234.253906 MB of memory in use. ENERGY: 2546600 4043.4795 20578.9865 14475.7160 249.1296 -203429.0480 2812.0761 0.0000 0.0000 52037.0557 -109232.6047 299.0577 -161269.6604 -108877.5315 299.3421 89.7038 118.4356 762561.3445 8.1795 8.3081 PRESSURE: 2546800 437.981 67.9316 -180.654 67.9316 -74.6432 -80.2866 -180.653 -80.286 599.995 GPRESSURE: 2546800 310.648 -102.522 -224.494 218.504 128.571 -13.3603 -133.852 -8.87668 600.571 PRESSAVG: 2546800 38.5501 56.9355 -37.0446 56.9355 -33.4467 48.3168 -37.0445 48.3168 3.26777 GPRESSAVG: 2546800 37.3133 57.3061 -36.0466 57.4148 -32.9421 47.9872 -39.2879 51.2401 3.81243 TIMING: 2546800 CPU: 7954, 0.00310662/step Wall: 7954, 0.00310662/step, 2.11699 hours remaining, 234.253906 MB of memory in use. ENERGY: 2546800 3989.5771 20573.1756 14431.1633 243.5250 -203661.9614 3205.2553 0.0000 0.0000 51971.6101 -109247.6551 298.6816 -161219.2652 -108891.5849 299.1269 321.1111 346.5969 761752.0014 2.7904 2.7279 PRESSURE: 2547000 -134.355 89.8222 -317.871 89.821 214.95 18.9379 -317.872 18.9392 127.425 GPRESSURE: 2547000 -63.3538 -40.4675 -231.312 82.2832 268.818 -18.449 -151.098 -23.9974 103.705 PRESSAVG: 2547000 33.5411 2.52784 4.12566 2.52779 26.7117 -65.6647 4.12564 -65.6647 -5.64314 GPRESSAVG: 2547000 33.8217 3.07122 3.38681 1.17751 27.9226 -65.596 4.13659 -67.3781 -6.46401 TIMING: 2547000 CPU: 7954.62, 0.00311763/step Wall: 7954.62, 0.00311763/step, 2.12432 hours remaining, 234.253906 MB of memory in use. ENERGY: 2547000 4028.6387 20600.5280 14447.9558 256.5954 -203502.9395 2831.9579 0.0000 0.0000 52119.2142 -109218.0494 299.5298 -161337.2636 -108860.5637 299.7344 69.3402 103.0564 761344.6896 18.2032 18.4268 PRESSURE: 2547200 27.5418 -185.978 98.9725 -185.978 39.204 81.2089 98.9725 81.2087 65.6321 GPRESSURE: 2547200 -20.9091 -201.557 126.925 -234.659 204.413 33.0109 67.8771 -90.5314 31.2387 PRESSAVG: 2547200 11.4083 2.97376 -48.1395 2.97383 -14.8304 -42.8542 -48.1395 -42.8542 -3.63414 GPRESSAVG: 2547200 10.7483 2.96679 -47.3804 3.43495 -14.8994 -43.2327 -48.2136 -44.1764 -3.57229 TIMING: 2547200 CPU: 7955.25, 0.0031155/step Wall: 7955.25, 0.0031155/step, 2.1227 hours remaining, 234.253906 MB of memory in use. ENERGY: 2547200 3932.8168 20459.4367 14546.1100 254.3841 -203284.4678 2915.8639 0.0000 0.0000 52013.8583 -109161.9981 298.9244 -161175.8563 -108802.7994 299.3392 44.1260 71.5807 763666.1224 -2.3521 -2.5745 PRESSURE: 2547400 -132.244 -110.756 -25.5789 -110.755 -251.667 116.836 -25.5797 116.836 77.1681 GPRESSURE: 2547400 -134.904 -142.238 -88.408 -40.2423 -153.42 144.877 -12.4373 40.9493 78.7327 PRESSAVG: 2547400 -18.2809 57.1794 -25.8004 57.1794 5.37794 -6.14631 -25.8003 -6.14633 17.695 GPRESSAVG: 2547400 -16.6098 57.5384 -27.1044 56.7883 4.90972 -6.3549 -25.1938 -5.94959 16.2636 TIMING: 2547400 CPU: 7955.87, 0.0031005/step Wall: 7955.87, 0.00310049/step, 2.1123 hours remaining, 234.253906 MB of memory in use. ENERGY: 2547400 4057.5040 20505.9623 14525.1923 258.8632 -202945.6546 2741.4981 0.0000 0.0000 51822.6634 -109033.9713 297.8256 -160856.6346 -108673.3712 299.2736 -102.2478 -69.8639 764496.9406 1.5973 1.5212 PRESSURE: 2547600 -123.298 -17.3975 -212.079 -17.3979 -264.364 -77.1863 -212.079 -77.1868 -111.547 GPRESSURE: 2547600 -144.157 66.1899 -131.723 -29.2972 -183.481 -51.3298 -203.544 -0.159368 -98.9475 PRESSAVG: 2547600 -8.49503 73.9744 -25.6147 73.9744 1.81548 1.84989 -25.6148 1.84986 -2.6007 GPRESSAVG: 2547600 -8.87084 74.497 -24.3468 73.175 1.74515 2.51703 -23.0007 1.37372 -2.92848 TIMING: 2547600 CPU: 7956.49, 0.00310943/step Wall: 7956.49, 0.00310943/step, 2.11821 hours remaining, 234.253906 MB of memory in use. ENERGY: 2547600 4034.5252 20596.2838 14506.7259 250.1414 -203243.4409 2714.9240 0.0000 0.0000 52128.6988 -109012.1418 299.5843 -161140.8405 -108646.3397 299.4774 -166.4029 -142.1953 764773.7614 -3.0934 -3.3514 PRESSURE: 2547800 252.261 61.2438 -39.0906 61.2432 4.86026 -40.7856 -39.0896 -40.7848 325.886 GPRESSURE: 2547800 266.426 41.029 -70.1752 -48.3907 93.2862 -121.483 30.5197 44.6224 294.99 PRESSAVG: 2547800 -40.5389 57.8648 -2.97108 57.8648 68.2694 -34.5857 -2.97105 -34.5857 -6.58937 GPRESSAVG: 2547800 -41.036 54.4455 -2.66839 58.7535 68.1353 -35.76 -5.32017 -31.9886 -5.58683 TIMING: 2547800 CPU: 7957.11, 0.00311967/step Wall: 7957.11, 0.00311967/step, 2.12502 hours remaining, 234.253906 MB of memory in use. ENERGY: 2547800 4050.6166 20603.3439 14533.1015 262.9575 -203691.6293 2889.4887 0.0000 0.0000 52137.5593 -109214.5618 299.6353 -161352.1211 -108853.2179 299.3466 194.3355 218.2340 763870.4991 7.0471 7.1708 PRESSURE: 2548000 381.24 -186.992 53.4636 -186.992 70.7191 21.2107 53.4631 21.21 -91.7025 GPRESSURE: 2548000 364.783 -147.008 -85.0598 -6.94623 190.757 11.7105 -40.1091 -25.4931 -104.124 PRESSAVG: 2548000 -14.1026 58.4651 8.5038 58.4651 25.3617 -36.4894 8.50376 -36.4893 13.696 GPRESSAVG: 2548000 -14.0653 61.6291 7.16902 56.3143 25.6484 -34.3448 8.67955 -39.744 13.4996 TIMING: 2548000 CPU: 7957.74, 0.00311696/step Wall: 7957.74, 0.00311696/step, 2.12299 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2548000 4025.4008 20540.9451 14465.4456 256.2745 -203487.7467 2898.0385 0.0000 0.0000 52247.7269 -109053.9153 300.2684 -161301.6422 -108687.5706 299.3990 120.0855 150.4720 763977.0373 8.3184 8.3609 PRESSURE: 2548200 396.403 69.2381 -98.1275 69.238 518.459 -296.032 -98.128 -296.032 -138.691 GPRESSURE: 2548200 355.78 105.355 -65.627 -21.5582 496.59 -294.177 -108.855 -364.833 -15.5894 PRESSAVG: 2548200 -41.0182 34.8118 -45.4051 34.8118 29.7601 -51.0695 -45.4051 -51.0695 -24.5669 GPRESSAVG: 2548200 -41.6827 33.4422 -44.3912 37.4172 29.242 -51.3863 -45.7597 -51.8746 -23.2125 TIMING: 2548200 CPU: 7958.36, 0.00312958/step Wall: 7958.36, 0.00312958/step, 2.13142 hours remaining, 234.253906 MB of memory in use. ENERGY: 2548200 4000.8457 20578.1491 14509.8260 260.8261 -203461.1799 2797.9060 0.0000 0.0000 52219.3739 -109094.2532 300.1055 -161313.6270 -108716.8843 300.0607 258.7237 278.9268 762149.0937 -11.9417 -11.8844 LDB: ============= START OF LOAD BALANCING ============== 7970.84 LDB: ============== END OF LOAD BALANCING =============== 7970.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7970.84 LDB: ============= START OF LOAD BALANCING ============== 7971.15 LDB: Largest compute 7034 load 0.030847 is 15.8% of average load 0.195143 LDB: Average compute 0.004403 is 2.3% of average load 0.195143 LDB: TIME 7971.16 LOAD: AVG 0.195143 MAX 0.21575 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.797 MB LDB: TIME 7971.16 LOAD: AVG 0.195143 MAX 0.21575 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.867 MB LDB: TIME 7971.16 LOAD: AVG 0.195143 MAX 0.21575 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.867 MB LDB: ============== END OF LOAD BALANCING =============== 7971.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7971.16 PRESSURE: 2548400 99.2014 99.1318 141.436 99.1319 30.0358 19.2831 141.437 19.2823 -177.906 GPRESSURE: 2548400 107.161 141.756 99.6967 96.1113 88.9684 51.1199 130.314 -48.8758 -172.24 PRESSAVG: 2548400 45.0825 44.704 2.63905 44.704 -35.4002 -34.2621 2.63902 -34.262 -7.59636 GPRESSAVG: 2548400 45.641 44.6526 1.97018 45.0452 -34.6275 -34.9077 2.11451 -32.6802 -9.5093 TIMING: 2548400 CPU: 7959, 0.00318219/step Wall: 7959, 0.00318219/step, 2.16707 hours remaining, 234.511719 MB of memory in use. ENERGY: 2548400 3973.6639 20718.6581 14477.1915 228.7991 -203968.1621 3129.3231 0.0000 0.0000 52238.3639 -109202.1624 300.2146 -161440.5263 -108832.7384 299.4744 -16.2228 7.9632 762303.9571 0.6953 0.5014 PRESSURE: 2548600 156.121 41.823 222.862 41.8232 68.008 -232.599 222.861 -232.599 391.566 GPRESSURE: 2548600 218.955 85.9244 197.159 14.8427 132.343 -119.271 219.163 -260.343 364.106 PRESSAVG: 2548600 12.5292 -9.8727 -4.77559 -9.87272 9.63092 53.818 -4.77559 53.818 -13.0804 GPRESSAVG: 2548600 11.7927 -9.511 -3.729 -11.3803 10.1376 54.9426 -5.54222 52.5633 -12.7935 TIMING: 2548600 CPU: 7959.62, 0.00310935/step Wall: 7959.62, 0.00310935/step, 2.1173 hours remaining, 234.511719 MB of memory in use. ENERGY: 2548600 4045.6332 20517.6118 14371.7571 234.3588 -203395.4879 2676.7273 0.0000 0.0000 52174.5618 -109374.8379 299.8479 -161549.3997 -109011.6592 299.3742 205.2315 238.4679 761329.0787 3.0266 3.0456 PRESSURE: 2548800 -104.124 135.213 -126.34 135.213 19.4155 57.4218 -126.34 57.4226 239.92 GPRESSURE: 2548800 -39.8538 46.0511 -77.6597 20.3922 40.0373 113.687 -156.505 35.5289 244.572 PRESSAVG: 2548800 -18.5786 10.8574 -52.8796 10.8574 53.2711 16.5101 -52.8797 16.51 13.0187 GPRESSAVG: 2548800 -17.1797 11.7082 -52.7459 9.88612 53.5913 15.6549 -51.0016 17.0615 11.7646 TIMING: 2548800 CPU: 7960.24, 0.00310279/step Wall: 7960.24, 0.00310278/step, 2.11265 hours remaining, 234.511719 MB of memory in use. ENERGY: 2548800 4030.5365 20734.8962 14524.4797 257.2507 -203467.7728 2754.3947 0.0000 0.0000 51791.1621 -109375.0529 297.6445 -161166.2150 -109023.9992 298.7634 51.7371 81.5851 760571.0821 15.9037 16.0587 PRESSURE: 2549000 50.1325 0.121909 -115.454 0.122323 -463.232 185.524 -115.454 185.523 80.0407 GPRESSURE: 2549000 44.6082 -104.104 -14.2313 43.0338 -418.485 185.603 -8.10323 153.708 104.864 PRESSAVG: 2549000 -2.59465 -27.0671 14.7228 -27.0671 -10.7821 37.1312 14.7229 37.1313 3.754 GPRESSAVG: 2549000 -4.43375 -27.9639 12.7827 -25.252 -11.0343 36.8097 15.7136 37.8882 5.19688 TIMING: 2549000 CPU: 7960.86, 0.00311191/step Wall: 7960.86, 0.00311191/step, 2.11869 hours remaining, 234.511719 MB of memory in use. ENERGY: 2549000 3924.7941 20712.5479 14458.5163 246.9164 -203592.6356 2848.1569 0.0000 0.0000 52346.1133 -109055.5907 300.8338 -161401.7040 -108691.6378 299.6473 -111.0196 -89.6708 763747.4933 -3.2076 -3.4237 PRESSURE: 2549200 231.428 -85.2116 -14.5294 -85.2119 18.5313 43.8028 -14.5303 43.8021 206.267 GPRESSURE: 2549200 294.998 -143.415 53.7721 -129.727 84.263 -30.8532 -27.6877 -0.753853 161.522 PRESSAVG: 2549200 -2.2628 30.7072 -33.388 30.7072 12.4982 17.5046 -33.388 17.5046 3.94554 GPRESSAVG: 2549200 -0.679313 29.1276 -30.8497 31.732 11.2918 17.521 -35.662 16.2547 3.48007 TIMING: 2549200 CPU: 7961.49, 0.00313827/step Wall: 7961.49, 0.00313827/step, 2.13647 hours remaining, 234.511719 MB of memory in use. ENERGY: 2549200 4023.3479 20526.9060 14407.6343 251.7500 -203900.6529 3252.3297 0.0000 0.0000 52232.8935 -109205.7915 300.1832 -161438.6849 -108836.2696 300.1907 152.0756 180.2611 763073.1740 4.7270 4.6975 PRESSURE: 2549400 63.2703 34.4007 -221.575 34.4009 55.0312 10.1937 -221.576 10.1927 245.431 GPRESSURE: 2549400 115.978 19.6275 -316.84 35.7124 86.9891 96.2595 -176.239 37.3213 238.507 PRESSAVG: 2549400 0.342654 31.2921 3.78153 31.2921 3.76514 11.9238 3.78152 11.9238 6.35194 GPRESSAVG: 2549400 -1.16589 34.0092 4.41093 29.3271 4.30435 11.0782 3.27952 13.8063 7.42106 TIMING: 2549400 CPU: 7962.11, 0.00311957/step Wall: 7962.11, 0.00311957/step, 2.12356 hours remaining, 234.566406 MB of memory in use. ENERGY: 2549400 4049.3695 20650.2798 14483.7337 232.2343 -203204.8491 2638.1917 0.0000 0.0000 51787.6424 -109363.3976 297.6243 -161151.0400 -109013.8116 298.9164 121.2443 147.1577 761159.6206 3.4866 3.5198 PRESSURE: 2549600 70.494 77.9746 12.5871 77.9746 -110.553 -70.969 12.5871 -70.9678 -69.485 GPRESSURE: 2549600 5.87772 80.9281 -68.1155 116.021 -34.4205 -90.4737 18.95 -59.4928 11.5305 PRESSAVG: 2549600 -43.221 2.23019 14.5277 2.23023 41.5195 -2.40784 14.5278 -2.40785 -2.44322 GPRESSAVG: 2549600 -42.0641 2.13698 14.4407 3.39869 41.0481 -2.11702 13.8192 -2.61052 -3.25508 TIMING: 2549600 CPU: 7962.74, 0.00311463/step Wall: 7962.74, 0.00311463/step, 2.12002 hours remaining, 234.566406 MB of memory in use. ENERGY: 2549600 4049.2803 20810.3795 14470.1239 239.3130 -203716.1161 2967.9782 0.0000 0.0000 51976.2126 -109202.8285 298.7080 -161179.0411 -108839.8252 299.0414 -36.5148 -5.6708 760952.0702 -1.3816 -1.4237 PRESSURE: 2549800 -62.4751 -193.037 -66.8121 -193.037 -118.671 15.1768 -66.8113 15.1765 -82.528 GPRESSURE: 2549800 -57.1032 -178.192 -73.2305 -298.898 -59.3165 -51.4462 52.6582 8.36123 -72.328 PRESSAVG: 2549800 61.5875 26.8466 39.6461 26.8466 -18.7936 -38.3301 39.6461 -38.3301 -17.9649 GPRESSAVG: 2549800 60.9267 25.1941 37.5124 25.0359 -19.0102 -38.0891 42.8045 -40.1665 -17.2907 TIMING: 2549800 CPU: 7963.36, 0.00311424/step Wall: 7963.36, 0.00311424/step, 2.11958 hours remaining, 234.566406 MB of memory in use. ENERGY: 2549800 4062.0687 20508.6297 14456.3456 244.5658 -203348.9869 2731.0125 0.0000 0.0000 52139.3817 -109206.9829 299.6457 -161346.3645 -108845.0465 299.2673 -87.8914 -62.9159 761640.7704 8.2764 8.2086 PRESSURE: 2550000 -517.525 -33.3891 -238.77 -33.3884 -1.72643 -13.1284 -238.769 -13.1299 -17.3138 GPRESSURE: 2550000 -397.327 17.0761 -72.7265 -123.491 -49.0399 -55.5499 -231.315 -54.7836 -6.82339 PRESSAVG: 2550000 35.411 44.1443 14.5369 44.1443 -40.2299 -27.6011 14.537 -27.6011 10.6496 GPRESSAVG: 2550000 37.3972 44.0792 17.7261 44.1204 -40.5268 -26.5166 12.9521 -26.9528 8.99428 TIMING: 2550000 CPU: 7963.98, 0.00310516/step Wall: 7963.98, 0.00310516/step, 2.11323 hours remaining, 234.566406 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: 2550000 4019.4153 20584.9164 14439.3655 268.7136 -203315.2393 2705.0283 0.0000 0.0000 51903.1748 -109394.6254 298.2883 -161297.8002 -109027.8049 299.0749 -178.8550 -151.0636 762645.5170 1.9436 1.9549 PRESSURE: 2550200 -58.7046 -55.6837 136.646 -55.6822 16.8137 -38.7796 136.647 -38.7788 156.516 GPRESSURE: 2550200 -28.4015 -60.6166 8.98104 24.447 25.8278 -8.35289 179.333 34.2613 205.864 PRESSAVG: 2550200 9.34294 -5.9114 50.0798 -5.9114 0.377101 -28.0998 50.0798 -28.0998 -15.1412 GPRESSAVG: 2550200 7.69265 -4.82987 48.287 -4.68104 0.556505 -28.7215 49.4572 -28.0554 -13.9266 TIMING: 2550200 CPU: 7964.6, 0.0030955/step Wall: 7964.6, 0.0030955/step, 2.10649 hours remaining, 234.566406 MB of memory in use. ENERGY: 2550200 4029.7224 20609.3726 14507.4693 258.1677 -203414.3723 2676.9598 0.0000 0.0000 52013.8959 -109318.7847 298.9246 -161332.6807 -108961.7932 298.9070 38.2083 67.7635 762490.5279 -1.8071 -1.8925 PRESSURE: 2550400 225.671 -54.8525 79.8438 -54.8533 -113.767 -28.9792 79.8429 -28.9791 -58.321 GPRESSURE: 2550400 243.687 -56.601 109.608 -91.9634 -83.3862 11.7805 71.8269 -59.8974 -12.6241 PRESSAVG: 2550400 3.71168 -24.3609 33.9224 -24.361 -6.37592 20.9845 33.9224 20.9845 17.5363 GPRESSAVG: 2550400 2.71346 -25.3768 34.1872 -26.8258 -6.35479 21.3987 34.6666 20.4464 17.0981 TIMING: 2550400 CPU: 7965.22, 0.00310042/step Wall: 7965.22, 0.00310042/step, 2.10966 hours remaining, 234.566406 MB of memory in use. ENERGY: 2550400 4007.1230 20652.9953 14441.2467 230.6919 -203615.7871 2938.7051 0.0000 0.0000 52188.8447 -109156.1803 299.9300 -161345.0250 -108793.4261 299.0121 17.8610 49.2255 761977.7526 4.9573 4.4856 PRESSURE: 2550600 -49.1073 153.587 -160 153.587 370.458 -123.164 -159.999 -123.165 362.479 GPRESSURE: 2550600 87.8773 53.4655 -170.789 77.4994 320.036 -67.0284 -132.773 -201.914 361.211 PRESSAVG: 2550600 15.5906 -8.49105 -17.0587 -8.49104 32.4494 34.1033 -17.0588 34.1033 -24.6906 GPRESSAVG: 2550600 16.4936 -7.26501 -17.4524 -7.47487 32.9756 35.7561 -16.4977 33.0785 -26.2867 TIMING: 2550600 CPU: 7965.84, 0.00309453/step Wall: 7965.84, 0.00309453/step, 2.10549 hours remaining, 234.566406 MB of memory in use. ENERGY: 2550600 3966.2692 20625.2638 14418.9389 252.2664 -203581.9530 2895.5653 0.0000 0.0000 52406.5430 -109017.1065 301.1811 -161423.6495 -108644.1043 299.8775 227.9431 256.3748 761926.6838 7.7831 7.7275 PRESSURE: 2550800 -297.398 -118.994 94.8709 -118.994 -103.829 55.5063 94.8714 55.5065 -125.787 GPRESSURE: 2550800 -284.613 -181.345 101.859 -29.7022 -52.5742 58.8464 61.5406 44.9267 -116.169 PRESSAVG: 2550800 -39.5888 2.58333 -66.3002 2.58336 30.279 -22.2955 -66.3002 -22.2955 -0.672801 GPRESSAVG: 2550800 -40.0946 3.20932 -66.8642 3.2467 29.9906 -25.1419 -66.8808 -20.7715 0.2999 TIMING: 2550800 CPU: 7966.47, 0.00313397/step Wall: 7966.47, 0.00313397/step, 2.13215 hours remaining, 234.566406 MB of memory in use. ENERGY: 2550800 4000.6692 20647.5845 14409.6032 246.7794 -203356.5552 2741.8268 0.0000 0.0000 52138.8426 -109171.2494 299.6426 -161310.0921 -108807.6355 299.4347 -175.6710 -151.1185 764221.1174 -3.3275 -3.2680 PRESSURE: 2551000 -113.202 -275.525 92.5818 -275.526 -3.72329 -23.6652 92.5817 -23.665 -185.801 GPRESSURE: 2551000 -130.154 -116.561 126.671 -355.529 -11.1522 -20.4352 104.106 55.7458 -64.5135 PRESSAVG: 2551000 -27.1404 -25.8235 10.9111 -25.8235 23.9508 6.84092 10.9112 6.84089 5.82284 GPRESSAVG: 2551000 -26.8147 -25.0293 11.8985 -27.2678 22.6838 8.59433 9.42621 6.09768 7.2201 TIMING: 2551000 CPU: 7967.09, 0.00313039/step Wall: 7967.09, 0.00313039/step, 2.12954 hours remaining, 234.566406 MB of memory in use. ENERGY: 2551000 3981.2536 20587.2786 14492.4627 240.9575 -203430.0251 2822.5848 0.0000 0.0000 51889.7428 -109415.7451 298.2111 -161305.4879 -109056.7045 298.8991 -100.9088 -68.6067 762071.1246 0.8778 1.0297 PRESSURE: 2551200 -144.67 17.7178 -150.523 17.7185 -12.6594 -83.9568 -150.522 -83.9574 -329.162 GPRESSURE: 2551200 -93.7166 -68.1895 -188.139 -39.3767 3.6508 -22.2152 -62.705 -264.002 -315.341 PRESSAVG: 2551200 8.46483 -14.0048 1.62184 -14.0047 -13.2085 43.3681 1.6218 43.368 -12.304 GPRESSAVG: 2551200 8.63565 -15.6983 1.96887 -13.5671 -12.1364 42.9871 3.67654 41.7376 -12.9226 TIMING: 2551200 CPU: 7967.72, 0.00312879/step Wall: 7967.72, 0.00312879/step, 2.12827 hours remaining, 234.566406 MB of memory in use. ENERGY: 2551200 4053.7935 20581.3378 14555.5669 249.2576 -203339.8904 2599.6895 0.0000 0.0000 51934.8199 -109365.4251 298.4701 -161300.2450 -109013.2439 299.2409 -162.1638 -135.1357 761362.6524 -5.6826 -5.4744 PRESSURE: 2551400 -185.802 -102.044 -26.475 -102.043 -187.506 64.9705 -26.4755 64.9703 115.712 GPRESSURE: 2551400 -192.903 -11.8367 -0.887976 -145.12 -94.8931 57.0063 -72.8904 68.841 127.361 PRESSAVG: 2551400 -14.0039 -10.6236 -3.1961 -10.6235 -9.59295 -13.179 -3.1961 -13.1789 28.3285 GPRESSAVG: 2551400 -15.133 -10.0608 -4.41416 -9.94808 -8.87456 -15.006 -3.76471 -9.48635 28.2641 TIMING: 2551400 CPU: 7968.34, 0.00309256/step Wall: 7968.34, 0.00309256/step, 2.10346 hours remaining, 234.566406 MB of memory in use. ENERGY: 2551400 4036.5353 20633.5758 14494.9907 234.6267 -203290.1230 2709.2532 0.0000 0.0000 51948.3993 -109232.7419 298.5482 -161181.1413 -108863.0966 299.1649 -85.8651 -53.4783 762019.3604 1.5772 1.4189 PRESSURE: 2551600 -390.854 -72.8609 -108.611 -72.8617 100.146 -25.598 -108.611 -25.5974 -180.021 GPRESSURE: 2551600 -288.265 -57.1483 -93.0296 -11.0369 40.6852 -14.5266 -166.676 -78.1053 -129.165 PRESSAVG: 2551600 11.5023 10.1491 31.3851 10.1491 21.9205 -30.6214 31.3851 -30.6215 1.53309 GPRESSAVG: 2551600 11.934 12.0132 31.3164 10.8586 21.9792 -29.513 30.7952 -31.6099 1.85625 TIMING: 2551600 CPU: 7968.96, 0.00311412/step Wall: 7968.96, 0.00311412/step, 2.11794 hours remaining, 234.566406 MB of memory in use. ENERGY: 2551600 4033.6543 20524.5513 14555.0824 244.5663 -203311.3481 2638.3235 0.0000 0.0000 51958.0466 -109357.1236 298.6036 -161315.1702 -108990.7721 299.3499 -156.9098 -125.5817 762501.6852 11.6520 11.9232 PRESSURE: 2551800 173.044 35.749 52.1354 35.7487 196.436 90.7951 52.1354 90.7951 -9.08179 GPRESSURE: 2551800 212.655 -110.672 13.2274 -21.7561 271.216 65.6176 42.3403 28.5683 -50.1533 PRESSAVG: 2551800 35.7036 28.9111 -0.00519548 28.911 1.8802 -62.9928 -0.00521642 -62.9929 -7.59722 GPRESSAVG: 2551800 36.8063 26.2996 0.295329 27.8763 1.21237 -61.3831 -1.55699 -64.5992 -7.98672 TIMING: 2551800 CPU: 7969.58, 0.00312288/step Wall: 7969.58, 0.00312288/step, 2.12373 hours remaining, 234.566406 MB of memory in use. ENERGY: 2551800 4008.8229 20613.9070 14459.9306 243.6789 -203370.2668 2982.4145 0.0000 0.0000 51891.2130 -109170.2999 298.2195 -161061.5129 -108806.6404 299.0831 120.1328 144.5728 761889.6996 9.9955 10.0106 PRESSURE: 2552000 49.6445 -12.8143 -68.1138 -12.8143 -139.654 -102.933 -68.1137 -102.933 -223.7 GPRESSURE: 2552000 -15.8324 55.7797 -55.8101 -78.1727 -61.4563 -55.0804 24.7005 -57.0025 -147.448 PRESSAVG: 2552000 -50.9527 -35.7924 46.6782 -35.7925 32.6173 -5.59924 46.6782 -5.59914 0.110921 GPRESSAVG: 2552000 -50.7662 -34.9574 47.5568 -37.5432 31.5132 -6.09057 48.3149 -3.7574 0.28725 TIMING: 2552000 CPU: 7970.21, 0.0031506/step Wall: 7970.21, 0.0031506/step, 2.14241 hours remaining, 234.566406 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: 2552000 3912.4551 20545.3305 14525.8152 253.4437 -203364.4359 2665.0711 0.0000 0.0000 52001.9361 -109460.3842 298.8558 -161462.3203 -109094.3942 298.9097 -104.5699 -74.9121 762385.3028 -6.0748 -6.3219 PRESSURE: 2552200 -43.7863 80.2215 -78.2945 80.2213 -155.764 6.85156 -78.2943 6.85177 -78.8146 GPRESSURE: 2552200 -9.64662 93.4786 -100.194 6.40037 -164.158 -0.888996 3.65617 33.7797 -8.34995 PRESSAVG: 2552200 -22.4507 -30.3455 -2.37459 -30.3456 24.129 -11.0809 -2.3746 -11.0809 -18.7881 GPRESSAVG: 2552200 -23.643 -29.6009 -4.09324 -28.1927 25.6383 -10.9419 -3.5444 -12.2018 -18.219 TIMING: 2552200 CPU: 7970.83, 0.0031036/step Wall: 7970.83, 0.0031036/step, 2.11028 hours remaining, 234.566406 MB of memory in use. ENERGY: 2552200 4032.8880 20664.2693 14491.6242 249.2237 -203614.8077 2780.3679 0.0000 0.0000 52030.3368 -109366.0978 299.0191 -161396.4347 -109007.6991 298.8087 -92.7883 -60.7182 764209.9741 -5.7033 -5.4079 LDB: ============= START OF LOAD BALANCING ============== 7983.31 LDB: ============== END OF LOAD BALANCING =============== 7983.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7983.32 LDB: ============= START OF LOAD BALANCING ============== 7983.63 LDB: Largest compute 7034 load 0.031410 is 16.1% of average load 0.195101 LDB: Average compute 0.004387 is 2.2% of average load 0.195101 LDB: TIME 7983.64 LOAD: AVG 0.195101 MAX 0.215931 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.27 MB LDB: TIME 7983.64 LOAD: AVG 0.195101 MAX 0.215931 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.305 MB LDB: TIME 7983.64 LOAD: AVG 0.195101 MAX 0.215931 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.305 MB LDB: ============== END OF LOAD BALANCING =============== 7983.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7983.64 PRESSURE: 2552400 98.2521 -135.82 168.391 -135.819 378.521 -61.9084 168.39 -61.9083 144.618 GPRESSURE: 2552400 186.106 -71.1806 201.725 -69.9981 369.993 -52.3799 155.609 -2.45042 161.281 PRESSAVG: 2552400 -24.2577 -62.0016 35.222 -62.0015 6.09268 -42.3422 35.2219 -42.3422 34.4949 GPRESSAVG: 2552400 -24.506 -61.6272 36.8084 -63.0836 6.48135 -43.3465 37.5838 -41.9711 34.0807 TIMING: 2552400 CPU: 7971.48, 0.0032157/step Wall: 7971.48, 0.0032157/step, 2.18632 hours remaining, 233.671875 MB of memory in use. ENERGY: 2552400 4028.1844 20670.0081 14425.8665 241.3405 -203236.9975 2671.7103 0.0000 0.0000 51780.3460 -109419.5417 297.5824 -161199.8877 -109058.2616 298.9860 207.1303 239.1268 762478.6693 5.4433 5.3520 PRESSURE: 2552600 67.3651 -155.951 356.773 -155.95 -114.051 124.765 356.774 124.767 164.811 GPRESSURE: 2552600 132.073 -171.374 371.315 -86.8252 -70.5721 142.734 186.175 95.9325 153.117 PRESSAVG: 2552600 24.9838 -72.1197 37.091 -72.1197 -4.10079 -36.2238 37.091 -36.2239 10.5548 GPRESSAVG: 2552600 26.1768 -70.4623 36.8794 -72.342 -4.54045 -33.5565 35.9107 -35.7458 9.77943 TIMING: 2552600 CPU: 7972.11, 0.00314597/step Wall: 7972.11, 0.00314597/step, 2.13874 hours remaining, 233.671875 MB of memory in use. ENERGY: 2552600 4051.3764 20534.7807 14390.2298 223.6337 -203386.4890 2755.8615 0.0000 0.0000 52047.4156 -109383.1913 299.1172 -161430.6069 -109025.7874 299.0736 39.3753 71.5392 761606.0625 10.4793 10.4719 PRESSURE: 2552800 -164.665 11.335 19.2082 11.3346 -408.329 193.354 19.2094 193.354 42.1205 GPRESSURE: 2552800 -147.333 -16.6245 -17.2716 126.518 -354.333 198.612 88.2156 89.9526 51.3613 PRESSAVG: 2552800 13.4065 -35.4318 57.4289 -35.4318 -9.01276 9.80973 57.429 9.80981 1.14128 GPRESSAVG: 2552800 13.0243 -37.643 57.3388 -33.8007 -8.94742 7.71916 57.3188 8.79548 1.28638 TIMING: 2552800 CPU: 7972.74, 0.00314249/step Wall: 7972.74, 0.00314249/step, 2.1362 hours remaining, 233.671875 MB of memory in use. ENERGY: 2552800 3955.3713 20475.8146 14462.5854 233.0185 -202947.8992 2441.3190 0.0000 0.0000 52025.4588 -109354.3315 298.9910 -161379.7903 -108975.8793 298.6922 -176.9580 -150.1014 763547.7884 1.8450 1.7877 PRESSURE: 2553000 16.6172 27.1874 47.1859 27.1875 -109.39 38.7229 47.1847 38.7229 -194.633 GPRESSURE: 2553000 -57.1817 192.87 67.4293 -54.1529 -93.2342 -5.62841 129.355 50.0341 -63.3743 PRESSAVG: 2553000 37.1219 25.8954 28.6205 25.8954 -54.7398 18.087 28.6204 18.087 -29.1881 GPRESSAVG: 2553000 35.8295 27.8448 27.6265 26.1455 -53.6574 17.4092 31.1802 18.5927 -28.4985 TIMING: 2553000 CPU: 7973.36, 0.00314677/step Wall: 7973.36, 0.00314677/step, 2.13893 hours remaining, 233.671875 MB of memory in use. ENERGY: 2553000 4065.3612 20435.5561 14427.5003 225.6797 -203356.7658 2842.6168 0.0000 0.0000 52168.4584 -109191.5933 299.8128 -161360.0517 -108833.5119 298.9777 -95.8017 -71.2634 762508.2392 -15.6020 -15.4421 PRESSURE: 2553200 -56.185 63.4856 -72.0222 63.4853 -4.52403 -42.9858 -72.022 -42.9862 -107.959 GPRESSURE: 2553200 -24.933 159.047 4.39338 43.2114 26.0371 -29.4959 -76.3707 -11.8844 -107.099 PRESSAVG: 2553200 7.5789 26.2735 10.6407 26.2735 -35.114 18.556 10.6406 18.556 16.9895 GPRESSAVG: 2553200 8.82386 26.6082 11.3298 24.67 -36.1221 18.7479 8.35692 20.3643 16.8741 TIMING: 2553200 CPU: 7973.99, 0.00314631/step Wall: 7973.99, 0.00314631/step, 2.13844 hours remaining, 233.671875 MB of memory in use. ENERGY: 2553200 3953.6396 20676.6178 14440.5753 248.5972 -203170.8011 2683.7795 0.0000 0.0000 52047.8798 -109119.7119 299.1199 -161167.5917 -108751.5895 299.5975 -56.2227 -35.3315 762682.1158 -3.5152 -3.4747 PRESSURE: 2553400 35.2821 -107.799 44.6342 -107.799 44.6515 -16.2019 44.6343 -16.2024 396.499 GPRESSURE: 2553400 123.323 -102.247 0.559987 -92.0861 67.418 -23.8627 39.1199 -120.428 339.825 PRESSAVG: 2553400 16.0973 13.7184 23.1652 13.7183 -13.4027 -16.1888 23.1651 -16.1888 -21.2423 GPRESSAVG: 2553400 15.5877 10.8484 24.0631 15.1165 -13.7703 -14.8969 22.0838 -17.9325 -20.7449 TIMING: 2553400 CPU: 7974.62, 0.00312187/step Wall: 7974.62, 0.00312187/step, 2.12166 hours remaining, 233.671875 MB of memory in use. ENERGY: 2553400 3961.2550 20592.3301 14501.6735 244.9289 -203507.2263 2809.7172 0.0000 0.0000 52409.3999 -108987.9216 301.1975 -161397.3215 -108629.9724 299.7376 158.8109 176.8555 761573.9898 -6.1826 -6.3092 PRESSURE: 2553600 -195.74 1.36339 146.807 1.36395 217.678 225.977 146.807 225.976 -107.653 GPRESSURE: 2553600 -194.908 85.0975 155.457 26.8048 295.508 314.696 -8.0587 227.614 -97.8608 PRESSAVG: 2553600 -58.703 -17.4614 54.2059 -17.4614 34.4082 -21.492 54.2059 -21.492 -5.33951 GPRESSAVG: 2553600 -59.1294 -15.4784 53.3174 -19.833 36.3524 -21.5303 54.2615 -21.1148 -6.49261 TIMING: 2553600 CPU: 7975.24, 0.00310711/step Wall: 7975.24, 0.00310711/step, 2.11146 hours remaining, 233.671875 MB of memory in use. ENERGY: 2553600 4013.6929 20500.1328 14411.3953 252.8408 -202932.8602 2592.9108 0.0000 0.0000 52547.4756 -108614.4120 301.9911 -161161.8876 -108233.6352 300.0856 -28.5716 0.9132 762206.2953 -9.8781 -9.7565 PRESSURE: 2553800 171.824 -3.78648 126.92 -3.78642 -63.5849 68.2625 126.92 68.2622 252.109 GPRESSURE: 2553800 260.201 -57.4027 155.185 -16.8635 -55.1433 32.1588 165.134 84.3553 239.651 PRESSAVG: 2553800 -15.096 -18.9788 -22.9515 -18.9788 24.6475 42.9256 -22.9514 42.9255 4.93497 GPRESSAVG: 2553800 -14.7209 -21.4766 -22.1224 -18.7597 23.62 42.7643 -21.443 44.1145 4.99331 TIMING: 2553800 CPU: 7975.86, 0.00311241/step Wall: 7975.86, 0.00311241/step, 2.11488 hours remaining, 233.671875 MB of memory in use. ENERGY: 2553800 4051.9448 20629.3769 14442.0542 254.8770 -202839.3039 2673.0411 0.0000 0.0000 52124.7282 -108663.2817 299.5615 -160788.0099 -108299.9127 301.0335 120.1163 148.2362 762925.7390 4.8288 4.6308 PRESSURE: 2554000 67.6285 -260.579 -260.173 -260.579 -391.955 -122.473 -260.172 -122.473 77.9314 GPRESSURE: 2554000 -23.1952 -220.752 -224.679 -225.105 -240.823 -136.377 -312.998 -119.672 109.043 PRESSAVG: 2554000 13.4483 3.60458 22.0112 3.60461 -32.6191 47.3908 22.0112 47.3908 -10.907 GPRESSAVG: 2554000 12.974 5.5953 22.2005 5.91737 -33.2088 47.3948 19.957 44.9757 -9.85749 TIMING: 2554000 CPU: 7976.49, 0.00313794/step Wall: 7976.49, 0.00313794/step, 2.13205 hours remaining, 233.671875 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: 2554000 4046.3406 20666.1371 14423.5363 244.3541 -202892.9196 2351.3730 0.0000 0.0000 52468.8920 -108692.2865 301.5394 -161161.1785 -108319.9518 300.7746 -82.1317 -51.6583 763917.5243 -10.0259 -10.0308 PRESSURE: 2554200 -119.551 1.15922 -51.8194 1.15852 -40.289 -48.6505 -51.8194 -48.6514 289.162 GPRESSURE: 2554200 -35.5196 -57.5599 -54.914 -7.88912 36.1773 -86.5502 -97.3209 67.9926 248.251 PRESSAVG: 2554200 -54.7 13.5875 -22.0751 13.5876 41.2927 -15.6662 -22.0751 -15.6661 -11.9569 GPRESSAVG: 2554200 -55.2508 10.3774 -22.1829 13.2613 42.1766 -16.7905 -20.17 -13.4483 -11.8544 TIMING: 2554200 CPU: 7977.12, 0.00312795/step Wall: 7977.12, 0.00312795/step, 2.12509 hours remaining, 233.671875 MB of memory in use. ENERGY: 2554200 4023.2445 20676.8053 14509.0827 236.6934 -202911.5786 2430.6274 0.0000 0.0000 52352.3094 -108682.8158 300.8694 -161035.1252 -108318.4765 300.3654 43.1070 82.9694 761936.2351 -8.4547 -8.3095 PRESSURE: 2554400 63.4443 59.863 -1.7159 59.8634 368.832 -211.626 -1.71684 -211.626 -74.4253 GPRESSURE: 2554400 182.443 71.2144 -0.792305 156.789 261.287 -160.484 -12.5438 -211.492 -10.1467 PRESSAVG: 2554400 3.04056 -18.0225 40.5081 -18.0225 37.1283 -4.84793 40.508 -4.84796 10.5855 GPRESSAVG: 2554400 5.34755 -15.5947 39.6605 -17.3851 36.3915 -2.88473 39.4323 -7.09684 9.59955 TIMING: 2554400 CPU: 7977.74, 0.00313403/step Wall: 7977.74, 0.00313403/step, 2.12905 hours remaining, 233.671875 MB of memory in use. ENERGY: 2554400 4045.9315 20605.9095 14466.9053 231.1700 -203146.3268 2839.8242 0.0000 0.0000 52304.0494 -108652.5368 300.5921 -160956.5862 -108286.2682 300.2737 119.2835 144.5277 760993.7472 16.9181 17.1129 PRESSURE: 2554600 -5.41785 -136.313 83.7896 -136.313 -129.856 -184.192 83.7894 -184.192 -140.57 GPRESSURE: 2554600 -91.1948 -77.4223 146.328 -50.728 -54.0342 -209.033 32.9772 -147.53 -27.2458 PRESSAVG: 2554600 54.77 17.7566 -18.1506 17.7566 -51.517 -23.5587 -18.1506 -23.5587 6.3453 GPRESSAVG: 2554600 53.408 18.2666 -17.967 15.7327 -50.0772 -26.135 -20.3044 -21.5351 6.52689 TIMING: 2554600 CPU: 7978.37, 0.00312507/step Wall: 7978.37, 0.00312507/step, 2.12279 hours remaining, 233.671875 MB of memory in use. ENERGY: 2554600 4052.0643 20515.1542 14512.4563 245.2262 -202757.4875 2457.3942 0.0000 0.0000 52222.8736 -108752.3187 300.1256 -160975.1923 -108389.8662 300.5134 -91.9479 -57.4916 762257.1633 3.1994 3.2859 PRESSURE: 2554800 178.756 39.1515 -199.798 39.1512 -87.9386 -83.6953 -199.798 -83.6947 107.034 GPRESSURE: 2554800 244.799 -58.1505 -207.233 118.714 -26.0026 -64.9757 -144.738 -58.1371 69.6793 PRESSAVG: 2554800 39.2755 6.69919 14.5514 6.69922 -9.96838 6.0702 14.5514 6.07013 0.741029 GPRESSAVG: 2554800 38.0906 5.76811 13.9103 7.3004 -9.75032 8.28273 17.0071 3.10353 1.36334 TIMING: 2554800 CPU: 7978.99, 0.00313529/step Wall: 7978.99, 0.00313529/step, 2.12956 hours remaining, 233.671875 MB of memory in use. ENERGY: 2554800 3955.5644 20401.5208 14529.2625 243.5232 -203038.2846 2726.0279 0.0000 0.0000 52303.6737 -108878.7121 300.5899 -161182.3858 -108506.4931 300.2444 65.9505 96.1584 761509.9467 10.0161 9.9012 PRESSURE: 2555000 187.647 29.5648 138.572 29.5649 130.666 268.38 138.573 268.38 -223.719 GPRESSURE: 2555000 244.8 -116.916 133.956 107.872 155.896 219.929 112.116 291.982 -227.118 PRESSAVG: 2555000 30.2172 14.4724 24.2503 14.4724 15.024 5.7115 24.2502 5.7115 6.19979 GPRESSAVG: 2555000 32.1817 13.373 24.1937 15.5772 14.6648 6.20363 24.3752 5.79609 5.05745 TIMING: 2555000 CPU: 7979.62, 0.00311704/step Wall: 7979.62, 0.00311704/step, 2.11699 hours remaining, 233.671875 MB of memory in use. ENERGY: 2555000 3933.3421 20586.6130 14535.9824 244.0539 -203169.3796 2563.5393 0.0000 0.0000 52371.8431 -108934.0058 300.9817 -161305.8489 -108568.2656 300.2805 31.5312 57.8594 761546.7292 17.1470 17.3013 PRESSURE: 2555200 -357.161 -74.8513 58.6923 -74.8515 -155.831 -28.7646 58.6926 -28.7645 60.8235 GPRESSURE: 2555200 -289.533 -171.203 57.8663 -106.807 -111.922 31.6339 182.878 1.81244 30.3145 PRESSAVG: 2555200 -7.85281 13.1002 41.2367 13.1002 15.1029 4.70874 41.2367 4.7088 -1.94371 GPRESSAVG: 2555200 -7.78801 13.3207 40.6442 12.1762 15.6491 2.9452 43.2262 5.7882 -2.3628 TIMING: 2555200 CPU: 7980.24, 0.0031206/step Wall: 7980.24, 0.0031206/step, 2.11923 hours remaining, 233.671875 MB of memory in use. ENERGY: 2555200 3954.1254 20638.8349 14446.6692 240.6504 -202928.7190 2545.3246 0.0000 0.0000 51978.1734 -109124.9412 298.7193 -161103.1146 -108765.8398 299.6189 -150.7228 -123.7134 761848.8401 1.7688 1.8328 PRESSURE: 2555400 91.0631 -107.253 150.915 -107.253 -401.248 89.5152 150.915 89.5174 -104.001 GPRESSURE: 2555400 224.189 -93.3398 200.425 -17.2505 -453.732 76.9057 117.828 89.4908 -98.6125 PRESSAVG: 2555400 7.76237 41.6519 21.9472 41.6519 5.37294 9.32051 21.9472 9.32055 -6.14263 GPRESSAVG: 2555400 8.3507 42.4947 22.4726 43.7429 4.00878 9.30746 20.4489 9.19545 -5.16882 TIMING: 2555400 CPU: 7980.87, 0.00312012/step Wall: 7980.87, 0.00312012/step, 2.11874 hours remaining, 233.671875 MB of memory in use. ENERGY: 2555400 4023.9203 20407.1957 14589.1269 241.4220 -203083.9062 2610.2066 0.0000 0.0000 52098.4179 -109113.6168 299.4103 -161212.0347 -108749.7167 299.4117 -138.0619 -109.3852 763043.3427 2.3309 2.3969 PRESSURE: 2555600 -318.129 -41.9375 128.871 -41.9367 -13.5497 -54.5047 128.871 -54.5044 319.555 GPRESSURE: 2555600 -232.924 -113.348 250.412 -48.2126 52.2995 -182.185 39.0626 -47.5786 256.017 PRESSAVG: 2555600 -22.1192 -11.1297 29.4226 -11.1296 -12.1668 -47.8019 29.4226 -47.8018 8.94918 GPRESSAVG: 2555600 -21.3974 -11.6888 28.8934 -13.7494 -11.5973 -45.4235 27.509 -46.7469 7.73594 TIMING: 2555600 CPU: 7981.49, 0.00313044/step Wall: 7981.49, 0.00313044/step, 2.12557 hours remaining, 233.671875 MB of memory in use. ENERGY: 2555600 3985.6105 20504.8817 14468.6560 261.1585 -203176.3503 2622.1383 0.0000 0.0000 52254.6412 -109079.2642 300.3081 -161333.9053 -108712.5759 299.6747 -4.0414 25.1311 761639.8037 -8.4456 -8.4196 PRESSURE: 2555800 256.285 -49.4038 -52.43 -49.4033 -247.268 73.3282 -52.43 73.3283 -89.868 GPRESSURE: 2555800 168.502 12.0811 -98.1701 -33.1414 -160.33 59.4876 -63.9848 56.782 -4.2167 PRESSAVG: 2555800 42.486 -37.7964 21.9131 -37.7964 -1.42974 31.5017 21.9131 31.5017 2.21564 GPRESSAVG: 2555800 41.2857 -37.5098 21.9196 -39.1496 -1.89331 30.3213 24.142 30.3016 4.00253 TIMING: 2555800 CPU: 7982.11, 0.00311319/step Wall: 7982.11, 0.00311319/step, 2.11368 hours remaining, 233.671875 MB of memory in use. ENERGY: 2555800 4010.4867 20831.8261 14555.4889 238.7844 -203381.2449 2697.4297 0.0000 0.0000 51878.6056 -109168.6234 298.1471 -161047.2290 -108814.4745 299.8178 -26.9501 1.3185 762781.8076 14.4240 14.4650 PRESSURE: 2556000 -359.869 33.5576 24.4025 33.5574 24.2053 104.786 24.4027 104.785 -225.468 GPRESSURE: 2556000 -239.668 241.046 89.6543 -48.387 -57.1969 82.425 77.4829 114.49 -187.905 PRESSAVG: 2556000 -27.4415 -28.7118 -0.474541 -28.7118 -17.8266 -11.5606 -0.474523 -11.5606 -16.601 GPRESSAVG: 2556000 -27.2089 -26.2967 1.65383 -28.7223 -17.5874 -12.6378 -3.35394 -8.41935 -16.9409 TIMING: 2556000 CPU: 7982.74, 0.00311478/step Wall: 7982.74, 0.00311478/step, 2.11459 hours remaining, 233.671875 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: 2556000 4085.5179 20617.0554 14432.9910 260.2743 -203390.5702 2852.3721 0.0000 0.0000 52092.6655 -109049.6939 299.3773 -161142.3595 -108686.5482 299.4001 -187.0440 -161.5902 763483.8944 -20.6230 -20.5791 PRESSURE: 2556200 -233.394 8.97859 -16.5673 8.97916 15.8848 3.25526 -16.5676 3.25524 -223.404 GPRESSURE: 2556200 -241.063 -46.9039 45.7168 -42.6141 52.0453 5.23289 19.2412 52.8274 -159.344 PRESSAVG: 2556200 -56.6567 -13.938 -15.4824 -13.9379 44.2194 1.95562 -15.4823 1.95564 9.30402 GPRESSAVG: 2556200 -55.6077 -16.2184 -15.7047 -14.0853 43.4008 1.77442 -14.7596 -1.61558 9.85987 TIMING: 2556200 CPU: 7983.36, 0.00310072/step Wall: 7983.36, 0.00310072/step, 2.10487 hours remaining, 233.671875 MB of memory in use. ENERGY: 2556200 4004.6644 20563.5217 14431.3170 222.0846 -203330.9590 2855.9907 0.0000 0.0000 51998.7356 -109254.6449 298.8374 -161253.3805 -108895.3349 299.4813 -146.9712 -116.1208 762934.4003 -1.0444 -0.7824 LDB: ============= START OF LOAD BALANCING ============== 7995.83 LDB: ============== END OF LOAD BALANCING =============== 7995.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7995.84 LDB: ============= START OF LOAD BALANCING ============== 7996.15 LDB: Largest compute 7052 load 0.030949 is 15.9% of average load 0.195157 LDB: Average compute 0.004395 is 2.3% of average load 0.195157 LDB: TIME 7996.15 LOAD: AVG 0.195157 MAX 0.213654 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.672 MB LDB: TIME 7996.15 LOAD: AVG 0.195157 MAX 0.213654 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.766 MB LDB: TIME 7996.15 LOAD: AVG 0.195157 MAX 0.213654 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.766 MB LDB: ============== END OF LOAD BALANCING =============== 7996.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7996.16 PRESSURE: 2556400 -215.893 -183.723 121.04 -183.722 -144.579 194.705 121.04 194.703 -230.962 GPRESSURE: 2556400 -169.199 -178.699 97.0911 -174.88 -204.312 97.9268 275.588 135.8 -147.116 PRESSAVG: 2556400 -24.8564 -0.320509 16.2792 -0.320485 -2.23642 -25.6077 16.2792 -25.6077 -4.6936 GPRESSAVG: 2556400 -26.3135 1.06265 15.6971 1.33099 -1.73814 -23.726 18.4289 -25.0926 -3.64248 TIMING: 2556400 CPU: 7983.99, 0.00317021/step Wall: 7983.99, 0.00317021/step, 2.15186 hours remaining, 234.183594 MB of memory in use. ENERGY: 2556400 4022.0476 20563.8872 14404.6814 229.3891 -203113.1525 2517.7903 0.0000 0.0000 52042.7778 -109332.5791 299.0906 -161375.3569 -108970.1615 299.5972 -197.1443 -173.5424 762457.7666 -10.5955 -10.5647 PRESSURE: 2556600 -47.749 -80.552 116.479 -80.5524 -191.501 -287.222 116.48 -287.222 146.484 GPRESSURE: 2556600 -51.1263 -13.884 147.939 25.5104 -118.481 -273.192 114.855 -179.611 184.115 PRESSAVG: 2556600 -11.5651 -87.3282 10.9261 -87.3282 0.155585 -39.8409 10.9261 -39.8409 21.5035 GPRESSAVG: 2556600 -10.8934 -87.3867 10.8505 -88.5674 0.291855 -41.2025 10.8181 -39.9753 20.7524 TIMING: 2556600 CPU: 7984.61, 0.00310821/step Wall: 7984.61, 0.00310821/step, 2.10961 hours remaining, 234.183594 MB of memory in use. ENERGY: 2556600 3969.9997 20531.7382 14476.9771 268.8341 -203380.3257 2831.0554 0.0000 0.0000 51794.2632 -109507.4579 297.6623 -161301.7211 -109145.1393 298.5924 -30.9218 4.8359 763288.4164 3.3646 3.3836 PRESSURE: 2556800 2.79727 -156.312 18.0098 -156.312 126.233 267.091 18.0095 267.09 -2.63927 GPRESSURE: 2556800 28.1726 -153.544 61.0514 -67.6529 139.783 275.113 18.6422 167.589 42.2383 PRESSAVG: 2556800 -40.1478 -94.7556 3.48516 -94.7556 40.7453 22.7333 3.48511 22.7333 0.580076 GPRESSAVG: 2556800 -40.0914 -97.1543 2.95619 -92.011 41.1333 23.8216 3.57375 23.2047 0.125671 TIMING: 2556800 CPU: 7985.24, 0.00311372/step Wall: 7985.24, 0.00311372/step, 2.11318 hours remaining, 234.183594 MB of memory in use. ENERGY: 2556800 3926.3346 20442.1747 14453.3870 234.9844 -203554.1923 2940.5509 0.0000 0.0000 51981.1525 -109575.6082 298.7364 -161556.7606 -109226.1188 298.0027 42.1302 70.0646 761551.6595 0.3925 0.3892 PRESSURE: 2557000 -116.571 203.267 40.5574 203.267 164.827 -228.385 40.5555 -228.385 -168.991 GPRESSURE: 2557000 28.5629 323.921 -46.6889 151.802 88.8867 -190.87 53.4912 -327.13 -134.835 PRESSAVG: 2557000 -53.0279 -19.3066 -21.7817 -19.3065 6.02689 35.8567 -21.7817 35.8567 -1.74172 GPRESSAVG: 2557000 -52.4514 -16.625 -21.3253 -20.5614 5.92055 36.8648 -21.9412 35.4614 -1.5226 TIMING: 2557000 CPU: 7985.86, 0.0031298/step Wall: 7985.86, 0.0031298/step, 2.12391 hours remaining, 234.183594 MB of memory in use. ENERGY: 2557000 3978.9368 20255.7365 14468.1086 232.7468 -203455.3868 2874.8134 0.0000 0.0000 52028.3742 -109616.6705 299.0078 -161645.0447 -109252.1414 297.8267 -40.2450 -5.7952 762510.0653 -16.2476 -16.0178 PRESSURE: 2557200 -121.095 260.924 167.845 260.924 133.517 -77.9218 167.845 -77.9207 280.654 GPRESSURE: 2557200 -143.389 205.892 146.383 262.945 214.872 -57.5018 200.148 -65.5049 295.102 PRESSAVG: 2557200 18.2568 28.1099 9.29265 28.1099 22.676 -10.9665 9.29264 -10.9665 -9.84077 GPRESSAVG: 2557200 17.0109 25.9392 9.42675 27.5768 23.5307 -12.4251 9.65768 -10.7455 -9.52941 TIMING: 2557200 CPU: 7986.48, 0.00310475/step Wall: 7986.48, 0.00310475/step, 2.10674 hours remaining, 234.183594 MB of memory in use. ENERGY: 2557200 4055.1603 20273.9898 14427.4134 245.7341 -203068.7808 2661.4847 0.0000 0.0000 51800.4126 -109604.5859 297.6977 -161404.9985 -109236.6976 298.3311 97.6919 122.1950 763712.8033 10.3640 10.3374 PRESSURE: 2557400 -169.393 -77.3787 25.1599 -77.3783 217.562 -62.8509 25.1604 -62.8495 13.1509 GPRESSURE: 2557400 -89.8971 -71.3986 41.5511 -101.159 145.401 -141.127 -13.3833 17.6402 108.015 PRESSAVG: 2557400 -20.9569 -20.4681 17.4338 -20.4681 -32.4602 23.524 17.4338 23.5239 -10.6556 GPRESSAVG: 2557400 -20.1437 -19.8354 16.8435 -21.7895 -33.0169 22.4091 16.7953 23.6265 -10.6556 TIMING: 2557400 CPU: 7987.11, 0.00311744/step Wall: 7987.11, 0.00311744/step, 2.11518 hours remaining, 234.183594 MB of memory in use. ENERGY: 2557400 3969.8287 20332.2619 14469.5522 256.5665 -203379.1737 2977.1739 0.0000 0.0000 51650.2428 -109723.5477 296.8347 -161373.7905 -109364.2584 297.5244 20.4399 54.5065 764130.1188 -21.3576 -21.2721 PRESSURE: 2557600 144.817 42.8204 199.414 42.8206 -349.527 -58.6801 199.414 -58.6797 246.684 GPRESSURE: 2557600 73.0494 11.2971 230.667 -55.8775 -211.759 -34.6922 159.335 -72.4577 271.761 PRESSAVG: 2557600 -1.36947 -4.94361 -16.2869 -4.94367 2.73422 -14.7082 -16.2869 -14.7082 -26.0465 GPRESSAVG: 2557600 -0.0895921 -7.56689 -17.2801 -3.69085 3.10737 -13.7713 -14.3 -14.014 -27.284 TIMING: 2557600 CPU: 7987.73, 0.00311177/step Wall: 7987.73, 0.00311177/step, 2.11116 hours remaining, 234.183594 MB of memory in use. ENERGY: 2557600 3981.4688 20461.9363 14433.9935 244.2808 -203314.3225 2828.1014 0.0000 0.0000 51624.0099 -109740.5318 296.6839 -161364.5417 -109386.1560 297.4921 13.9910 44.3506 762994.9182 -8.2272 -8.0887 PRESSURE: 2557800 304.366 37.7422 71.7876 37.7417 270.955 263.111 71.788 263.112 9.44443 GPRESSURE: 2557800 246.983 38.3636 135.427 15.2282 315.024 288.491 136.1 221.065 112.653 PRESSAVG: 2557800 21.4845 22.4898 11.5384 22.4898 41.9899 12.2468 11.5384 12.2468 -5.36964 GPRESSAVG: 2557800 20.2413 23.539 11.4628 23.2685 42.7646 10.681 9.75132 12.8416 -4.73382 TIMING: 2557800 CPU: 7988.35, 0.00312234/step Wall: 7988.35, 0.00312234/step, 2.11816 hours remaining, 234.183594 MB of memory in use. ENERGY: 2557800 3952.2610 20363.7268 14467.7437 260.9533 -203966.5264 3271.5003 0.0000 0.0000 52042.8593 -109607.4822 299.0910 -161650.3414 -109246.6445 297.8722 194.9219 224.8866 761256.9745 19.3682 19.4240 PRESSURE: 2558000 -74.7912 -17.5267 -99.9582 -17.5271 224.302 60.4002 -99.9588 60.4001 171.893 GPRESSURE: 2558000 -27.6514 -24.6504 -184.818 27.5115 157.798 192.987 -106.938 -10.8101 275.649 PRESSAVG: 2558000 -12.3111 -14.5296 -5.1025 -14.5296 3.75815 20.6822 -5.10249 20.6823 1.85795 GPRESSAVG: 2558000 -12.5094 -13.4537 -4.82663 -15.7307 3.90321 23.4632 -5.27309 18.6636 2.14241 TIMING: 2558000 CPU: 7988.98, 0.00312568/step Wall: 7988.98, 0.00312568/step, 2.12025 hours remaining, 234.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2558000 3919.6215 20459.8598 14420.2486 261.7910 -203276.3138 2746.5740 0.0000 0.0000 52074.2830 -109393.9359 299.2716 -161468.2189 -109033.6120 298.2847 107.1346 135.2653 763259.6640 -2.2317 -2.1546 PRESSURE: 2558200 160.803 -96.8391 -17.2634 -96.8389 420.08 -80.7522 -17.2638 -80.7523 -113.22 GPRESSURE: 2558200 150.281 -125.484 -8.88333 -118.944 562.951 -35.6316 -29.5237 -250.223 -162.474 PRESSAVG: 2558200 20.8933 36.139 -5.02983 36.1389 41.2792 -14.9771 -5.02977 -14.9771 -13.2953 GPRESSAVG: 2558200 21.9026 36.6008 -3.76882 36.4271 39.9618 -15.9894 -5.77092 -13.2738 -12.7469 TIMING: 2558200 CPU: 7989.61, 0.00315926/step Wall: 7989.61, 0.00315926/step, 2.14286 hours remaining, 234.183594 MB of memory in use. ENERGY: 2558200 3942.6005 20379.5517 14430.7314 267.5926 -203281.4357 2769.1243 0.0000 0.0000 51899.8013 -109592.0338 298.2689 -161491.8351 -109229.4662 298.4662 155.8873 183.5860 762318.6995 16.2924 16.3725 PRESSURE: 2558400 177.3 209.091 115.603 209.089 -102.392 -161.37 115.603 -161.37 131.086 GPRESSURE: 2558400 230.884 155.094 93.8144 123.605 -10.6234 -83.3364 6.29987 29.8459 88.1339 PRESSAVG: 2558400 -19.147 14.9415 -16.5086 14.9415 12.5639 18.0071 -16.5086 18.0072 6.38374 GPRESSAVG: 2558400 -18.4941 12.6477 -16.8318 15.9796 13.3868 16.9595 -16.519 18.1649 4.87963 TIMING: 2558400 CPU: 7990.24, 0.00312734/step Wall: 7990.24, 0.00312734/step, 2.12103 hours remaining, 234.183594 MB of memory in use. ENERGY: 2558400 3951.0373 20401.7420 14556.0922 264.3358 -203327.0108 2988.7648 0.0000 0.0000 51702.0617 -109462.9771 297.1325 -161165.0388 -109103.1038 298.0503 68.6647 102.7981 762337.5776 -0.0664 -0.0759 PRESSURE: 2558600 229.959 -6.10249 -91.8934 -6.10249 49.5013 10.0739 -91.8936 10.0741 213.937 GPRESSURE: 2558600 255.701 0.131633 -19.2589 -66.7747 145.761 11.038 -131.805 -29.8809 186.354 PRESSAVG: 2558600 -27.3653 12.5878 -13.3922 12.5878 71.677 -16.6669 -13.3922 -16.667 -3.64361 GPRESSAVG: 2558600 -29.5567 11.7116 -12.018 14.1473 72.4356 -16.0107 -13.5497 -16.902 -2.29239 TIMING: 2558600 CPU: 7990.86, 0.00311714/step Wall: 7990.86, 0.00311714/step, 2.11394 hours remaining, 234.183594 MB of memory in use. ENERGY: 2558600 4074.8223 20353.4344 14398.9195 248.7638 -203173.9778 2883.0489 0.0000 0.0000 51941.9364 -109273.0525 298.5110 -161214.9890 -108917.4192 298.8009 164.4657 195.9385 762490.0629 13.5560 13.5288 PRESSURE: 2558800 66.5165 -83.7528 -95.0387 -83.7531 -406.753 -34.4813 -95.0385 -34.4808 -111.772 GPRESSURE: 2558800 -2.00085 98.9071 -58.898 -73.2983 -330.837 37.6729 -14.5354 -139.969 -68.1272 PRESSAVG: 2558800 -50.5986 -17.6648 -5.51527 -17.6648 43.1887 -19.1527 -5.51531 -19.1527 -13.0164 GPRESSAVG: 2558800 -48.8471 -11.9145 -7.02004 -22.176 42.3196 -17.6942 -3.51424 -21.0825 -14.0268 TIMING: 2558800 CPU: 7991.48, 0.00312927/step Wall: 7991.48, 0.00312927/step, 2.122 hours remaining, 234.183594 MB of memory in use. ENERGY: 2558800 4023.9012 20568.4998 14486.4498 246.3251 -203367.9139 2902.2607 0.0000 0.0000 51931.2440 -109209.2333 298.4496 -161140.4773 -108854.5002 299.1196 -150.6693 -133.6549 763239.4170 -6.8088 -6.8514 PRESSURE: 2559000 -228.301 -227.183 -139.425 -227.184 107.355 -90.2688 -139.426 -90.2697 43.2881 GPRESSURE: 2559000 -125.778 -168.865 -146.69 -117.342 149.275 -117.478 -160.634 -75.6367 -24.6838 PRESSAVG: 2559000 -23.5727 -32.8493 -30.4795 -32.8492 8.2401 -46.3264 -30.4795 -46.3264 17.9416 GPRESSAVG: 2559000 -23.1095 -34.8944 -31.0483 -30.0496 7.7058 -45.7746 -32.364 -45.8006 18.2378 TIMING: 2559000 CPU: 7992.11, 0.00312872/step Wall: 7992.11, 0.00312872/step, 2.12144 hours remaining, 234.183594 MB of memory in use. ENERGY: 2559000 4079.7824 20329.7697 14498.7989 240.1464 -203193.2343 2986.7474 0.0000 0.0000 51829.7519 -109228.2376 297.8663 -161057.9896 -108869.6802 298.8147 -25.8862 -0.3953 763927.3376 0.8697 0.9447 PRESSURE: 2559200 -33.4741 51.8478 -94.3569 51.8473 -47.4442 -1.62354 -94.356 -1.62347 197.577 GPRESSURE: 2559200 1.55073 42.0007 -84.6141 12.8687 -16.9729 -5.29029 19.2893 0.151279 212.076 PRESSAVG: 2559200 43.5545 7.35976 -6.84297 7.35978 -0.495195 16.079 -6.84296 16.0791 -21.9794 GPRESSAVG: 2559200 43.2962 6.29238 -4.61358 6.87907 0.132438 13.9389 -7.75731 16.5146 -22.6305 TIMING: 2559200 CPU: 7992.73, 0.00310899/step Wall: 7992.73, 0.00310899/step, 2.10789 hours remaining, 234.183594 MB of memory in use. ENERGY: 2559200 3942.9494 20342.6606 14457.1856 252.4910 -203131.7348 2686.9769 0.0000 0.0000 51997.2959 -109452.1753 298.8292 -161449.4713 -109088.4774 298.7586 38.8863 65.5513 763286.6048 7.0266 6.9327 PRESSURE: 2559400 -159.454 184.266 38.697 184.266 109.518 -214.45 38.6972 -214.451 221.355 GPRESSURE: 2559400 -168.43 149.283 166.426 139.238 190.279 -123.569 -82.749 -179.472 249.827 PRESSAVG: 2559400 -11.5081 36.7576 14.437 36.7577 -25.5149 -18.2291 14.437 -18.2291 -22.9761 GPRESSAVG: 2559400 -12.4178 36.4584 12.5524 38.7964 -25.2608 -15.4784 16.3465 -17.579 -21.9809 TIMING: 2559400 CPU: 7993.35, 0.00309174/step Wall: 7993.35, 0.00309174/step, 2.09603 hours remaining, 234.183594 MB of memory in use. ENERGY: 2559400 3932.6566 20369.0974 14488.7543 245.2044 -202854.2843 2710.8375 0.0000 0.0000 51789.7186 -109318.0156 297.6362 -161107.7342 -108956.4351 298.1925 57.1396 90.5586 763953.7946 -19.9997 -19.8865 PRESSURE: 2559600 -179.302 177.04 226.473 177.04 468.883 109.101 226.474 109.101 -157.758 GPRESSURE: 2559600 -72.5145 172.835 250.05 79.4452 464.248 91.2578 56.0949 88.4787 -179.83 PRESSAVG: 2559600 -41.9241 38.0957 35.0297 38.0956 20.4334 -8.55421 35.0297 -8.55426 38.6681 GPRESSAVG: 2559600 -41.4531 38.9284 37.6366 36.3931 19.9621 -12.2531 33.7632 -8.30875 38.6956 TIMING: 2559600 CPU: 7993.97, 0.00309599/step Wall: 7993.97, 0.00309599/step, 2.09874 hours remaining, 234.183594 MB of memory in use. ENERGY: 2559600 4070.6965 20642.5225 14421.6473 254.3468 -203363.4498 2931.9751 0.0000 0.0000 51877.0103 -109165.2513 298.1379 -161042.2616 -108807.4456 298.9068 43.9407 70.6345 764086.2919 5.7258 5.7348 PRESSURE: 2559800 -237.207 -50.3598 -200.204 -50.3585 -16.4272 -66.2266 -200.204 -66.2274 315.21 GPRESSURE: 2559800 -161.806 -40.834 -186.715 32.5721 -21.8616 -111.705 -183.83 170.555 339.971 PRESSAVG: 2559800 22.4827 43.472 10.1264 43.472 10.6067 5.39026 10.1264 5.39035 -9.53063 GPRESSAVG: 2559800 23.4543 42.741 8.63819 44.6507 9.96286 7.66069 9.56381 4.97796 -10.0237 TIMING: 2559800 CPU: 7994.59, 0.00309762/step Wall: 7994.59, 0.00309762/step, 2.09967 hours remaining, 234.183594 MB of memory in use. ENERGY: 2559800 3975.5213 20606.1796 14402.2554 247.6507 -203278.2342 2731.9465 0.0000 0.0000 52116.8521 -109197.8285 299.5163 -161314.6807 -108840.1189 298.7941 20.5253 52.1011 762344.2204 7.8529 7.7978 PRESSURE: 2560000 95.4982 -32.3044 -72.2512 -32.3038 -280.229 69.5251 -72.251 69.5241 104.794 GPRESSURE: 2560000 177.001 -41.8106 29.3924 -35.3689 -270.413 70.3614 -93.2164 79.8677 106.53 PRESSAVG: 2560000 41.7292 -9.44425 -53.2887 -9.44417 -93.9663 41.8919 -53.2887 41.8919 39.4158 GPRESSAVG: 2560000 41.4372 -7.39828 -52.8799 -11.7696 -93.1582 41.2446 -50.2129 42.808 39.8255 TIMING: 2560000 CPU: 7995.21, 0.00309038/step Wall: 7995.21, 0.00309039/step, 2.09459 hours remaining, 234.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2560000 3892.9660 20523.2270 14388.8307 240.1953 -203222.1560 2845.5374 0.0000 0.0000 52197.0180 -109134.3815 299.9770 -161331.3995 -108766.5057 299.0548 -26.6457 4.3723 764615.8910 -4.2738 -3.9652 PRESSURE: 2560200 -153.419 -18.2601 189.082 -18.2595 -191.391 27.1457 189.082 27.1447 -345.384 GPRESSURE: 2560200 -190.714 84.5681 225.348 7.53227 -72.2529 111.528 173.044 89.9339 -345.948 PRESSAVG: 2560200 48.0093 31.2587 43.1425 31.2586 -81.6638 -13.3106 43.1426 -13.3107 -19.4363 GPRESSAVG: 2560200 48.1292 28.1327 43.1672 33.7031 -80.9497 -12.9763 40.936 -12.3731 -20.4174 TIMING: 2560200 CPU: 7995.83, 0.00310642/step Wall: 7995.83, 0.00310642/step, 2.10529 hours remaining, 234.183594 MB of memory in use. ENERGY: 2560200 4083.0704 20631.0979 14481.0643 243.5957 -203069.0957 2586.6699 0.0000 0.0000 52099.4023 -108944.1952 299.4160 -161043.5975 -108583.6217 299.6219 -230.0648 -202.9716 762858.2625 -17.6969 -17.7460 LDB: ============= START OF LOAD BALANCING ============== 8008.31 LDB: ============== END OF LOAD BALANCING =============== 8008.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8008.31 LDB: ============= START OF LOAD BALANCING ============== 8008.62 LDB: Largest compute 7064 load 0.030898 is 15.8% of average load 0.195051 LDB: Average compute 0.004408 is 2.3% of average load 0.195051 LDB: TIME 8008.63 LOAD: AVG 0.195051 MAX 0.213705 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.953 MB LDB: TIME 8008.63 LOAD: AVG 0.195051 MAX 0.213705 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.953 MB LDB: TIME 8008.63 LOAD: AVG 0.195051 MAX 0.213705 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.953 MB LDB: ============== END OF LOAD BALANCING =============== 8008.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8008.63 PRESSURE: 2560400 -387.941 39.7695 161.31 39.769 -183.579 273.029 161.31 273.029 -232.111 GPRESSURE: 2560400 -398.382 92.4882 123.448 61.7742 -132.692 236.459 68.2042 79.2349 -205.834 PRESSAVG: 2560400 12.7622 26.8955 20.8642 26.8954 7.31454 31.2874 20.8642 31.2875 0.208728 GPRESSAVG: 2560400 12.8908 29.4293 19.4382 25.0449 6.03454 29.5835 22.4021 29.7779 0.810587 TIMING: 2560400 CPU: 7996.47, 0.00319551/step Wall: 7996.47, 0.00319551/step, 2.16549 hours remaining, 235.921875 MB of memory in use. ENERGY: 2560400 4070.1944 20610.5440 14507.2905 252.7944 -202964.5052 2415.3245 0.0000 0.0000 52196.3186 -108912.0388 299.9730 -161108.3573 -108540.6168 300.3483 -267.8768 -245.6362 763060.7496 6.7618 6.5786 PRESSURE: 2560600 141.166 9.7295 141.621 9.7298 241.58 48.8363 141.621 48.8367 -411.179 GPRESSURE: 2560600 152.987 55.8646 212.553 55.4109 216.086 38.1728 93.4303 86.9038 -306.405 PRESSAVG: 2560600 -34.2588 -19.2691 25.3811 -19.2692 -15.0626 33.4983 25.3811 33.4982 -17.4673 GPRESSAVG: 2560600 -35.36 -20.9902 27.0034 -20.1589 -15.1883 33.8326 25.6866 32.3912 -16.4713 TIMING: 2560600 CPU: 7997.09, 0.00309989/step Wall: 7997.09, 0.00309989/step, 2.10052 hours remaining, 235.921875 MB of memory in use. ENERGY: 2560600 4017.7909 20585.6742 14468.1670 258.0812 -203198.6044 2721.5871 0.0000 0.0000 52045.8931 -109101.4109 299.1085 -161147.3040 -108745.1736 299.4844 -9.4775 20.8894 763100.1682 -22.2629 -22.3399 PRESSURE: 2560800 -152.591 94.5296 -77.3815 94.5301 -217.631 -168.678 -77.3817 -168.677 9.79575 GPRESSURE: 2560800 -71.4287 164.324 -64.592 138.825 -173.195 -204.227 -49.1905 -135.499 -2.46335 PRESSAVG: 2560800 -27.3725 2.24653 6.88289 2.24651 31.1848 21.0992 6.88285 21.0992 6.12378 GPRESSAVG: 2560800 -27.4604 1.61672 4.54745 2.37161 32.8897 21.3059 6.94447 21.5395 4.36695 TIMING: 2560800 CPU: 7997.71, 0.00310783/step Wall: 7997.71, 0.00310783/step, 2.10572 hours remaining, 235.921875 MB of memory in use. ENERGY: 2560800 3976.1891 20321.4726 14540.7584 248.8250 -203257.3474 2967.6602 0.0000 0.0000 51787.6546 -109414.7874 297.6244 -161202.4420 -109048.5140 298.6320 -120.1419 -82.3622 762877.3141 3.3120 3.2654 PRESSURE: 2561000 -50.2985 127.588 -265.054 127.589 179.722 -175.65 -265.054 -175.651 46.7596 GPRESSURE: 2561000 -17.6332 50.9231 -201.8 39.695 205.608 -172.39 -104.583 -95.4768 90.355 PRESSAVG: 2561000 -40.0186 96.7624 -23.3818 96.7624 64.0908 40.6957 -23.3818 40.6956 6.79424 GPRESSAVG: 2561000 -39.2603 97.0298 -20.8894 97.2151 62.8316 42.1346 -23.7681 40.2823 7.6948 TIMING: 2561000 CPU: 7998.34, 0.00313987/step Wall: 7998.34, 0.00313987/step, 2.12726 hours remaining, 235.921875 MB of memory in use. ENERGY: 2561000 3793.3011 20448.6196 14495.5190 243.5068 -203032.6006 2532.1248 0.0000 0.0000 52144.8147 -109374.7146 299.6770 -161519.5293 -109003.6532 298.0681 58.7276 92.7765 764102.7173 10.2888 10.4220 PRESSURE: 2561200 -164.376 90.418 44.0903 90.4183 -71.9889 -162.443 44.0907 -162.443 163.362 GPRESSURE: 2561200 -93.0649 86.3299 44.9357 215.891 -75.3769 -34.8711 -6.16043 -93.6423 188.88 PRESSAVG: 2561200 18.7763 66.8837 8.02319 66.8836 -8.63267 63.9077 8.0232 63.9077 -7.86523 GPRESSAVG: 2561200 17.9841 67.4866 6.94916 67.6906 -8.12722 62.4663 8.79253 67.8725 -7.77264 TIMING: 2561200 CPU: 7998.97, 0.00313774/step Wall: 7998.97, 0.00313774/step, 2.12565 hours remaining, 235.921875 MB of memory in use. ENERGY: 2561200 3909.5517 20453.2009 14369.3477 249.3987 -202988.1977 2571.4259 0.0000 0.0000 52144.7631 -109290.5097 299.6767 -161435.2727 -108933.3741 298.5953 -24.3343 6.8129 765311.4461 0.7595 0.6947 PRESSURE: 2561400 35.4178 75.5499 26.2254 75.5508 27.5449 -105.79 26.225 -105.791 -93.0669 GPRESSURE: 2561400 8.26495 124.8 35.1678 113.709 78.6814 -86.6475 -11.7318 -65.1968 -30.7002 PRESSAVG: 2561400 55.1846 39.9078 -4.46069 39.9079 -15.2644 39.1547 -4.46072 39.1546 13.0594 GPRESSAVG: 2561400 55.4552 38.9356 -5.33838 41.5349 -14.7395 39.7147 -5.38476 38.2005 12.7301 TIMING: 2561400 CPU: 7999.59, 0.0031457/step Wall: 7999.59, 0.0031457/step, 2.13087 hours remaining, 235.921875 MB of memory in use. ENERGY: 2561400 4033.5698 20586.6897 14462.0639 238.6194 -202866.9439 2702.4102 0.0000 0.0000 51702.4564 -109141.1346 297.1347 -160843.5909 -108795.2881 298.8368 -10.0348 18.7487 763921.6677 17.6599 17.8153 PRESSURE: 2561600 -322.077 56.3094 -199.392 56.3086 110.788 42.9426 -199.393 42.9419 351.921 GPRESSURE: 2561600 -230.866 -46.8362 -225.548 139.647 131.529 108.729 -37.5517 -40.2178 306.034 PRESSAVG: 2561600 2.07278 -7.41293 -58.6395 -7.41301 17.7152 -14.3345 -58.6395 -14.3346 5.87165 GPRESSAVG: 2561600 2.28477 -8.44967 -58.4086 -7.2999 18.0873 -13.0871 -58.4221 -13.4026 4.91586 TIMING: 2561600 CPU: 8000.22, 0.00311401/step Wall: 8000.22, 0.00311401/step, 2.10923 hours remaining, 235.921875 MB of memory in use. ENERGY: 2561600 3986.6894 20699.0435 14489.4192 261.2870 -202988.2720 2738.2874 0.0000 0.0000 51759.5380 -109054.0074 297.4628 -160813.5454 -108696.9473 298.9697 46.8772 68.8990 763296.0344 8.5532 8.4293 PRESSURE: 2561800 47.8273 -300.891 124.447 -300.89 -34.0357 -124.271 124.447 -124.271 185.033 GPRESSURE: 2561800 26.5645 -231.527 175.06 -330.192 -10.768 -16.3998 131.289 -201.201 259.834 PRESSAVG: 2561800 13.7113 -6.71821 48.0465 -6.71824 -9.00414 -21.7587 48.0464 -21.7586 -1.10112 GPRESSAVG: 2561800 15.2302 -4.60274 49.5964 -9.84252 -10.6098 -21.4571 48.2749 -27.0882 -0.662856 TIMING: 2561800 CPU: 8000.84, 0.00311012/step Wall: 8000.84, 0.00311012/step, 2.10641 hours remaining, 235.921875 MB of memory in use. ENERGY: 2561800 3952.3673 20716.5112 14403.7178 240.0347 -202750.7611 2404.5005 0.0000 0.0000 52227.7959 -108805.8338 300.1539 -161033.6297 -108449.4831 299.6894 66.2748 91.8769 763977.8784 1.2020 1.3192 PRESSURE: 2562000 120.061 25.0133 -132.406 25.0129 -50.182 98.7812 -132.406 98.7802 -47.7233 GPRESSURE: 2562000 144.267 25.1903 -105.421 -2.72679 30.4726 68.8139 -111.166 46.1622 -67.4533 PRESSAVG: 2562000 -13.9652 -6.81315 42.966 -6.81321 -16.3498 61.8142 42.966 61.8142 6.80768 GPRESSAVG: 2562000 -15.4058 -9.28708 42.2202 -6.29201 -15.3122 62.9686 42.171 63.8535 7.17414 TIMING: 2562000 CPU: 8001.46, 0.00310286/step Wall: 8001.46, 0.00310286/step, 2.10132 hours remaining, 235.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2562000 4027.1447 20739.4110 14510.8760 219.7281 -202698.9302 2419.7267 0.0000 0.0000 52151.5938 -108630.4501 299.7159 -160782.0439 -108274.4044 299.8683 7.3851 35.7620 762794.8875 -7.8358 -7.8479 PRESSURE: 2562200 -319.693 -118.884 -101.87 -118.883 -7.79034 123.636 -101.87 123.636 -35.2035 GPRESSURE: 2562200 -194.188 -146.731 -166.965 6.63462 -44.9681 25.2297 -131.109 158.912 -52.15 PRESSAVG: 2562200 -3.70856 -23.357 25.0213 -23.3571 0.553642 16.4791 25.0213 16.4791 6.80492 GPRESSAVG: 2562200 -3.33398 -21.4567 25.3934 -22.2205 0.216067 13.8782 24.2922 17.1915 6.45159 TIMING: 2562200 CPU: 8002.08, 0.0031024/step Wall: 8002.08, 0.0031024/step, 2.10084 hours remaining, 235.921875 MB of memory in use. ENERGY: 2562200 3993.8808 20569.6020 14480.4396 247.5941 -202940.8427 2744.0940 0.0000 0.0000 52392.6679 -108512.5642 301.1014 -160905.2321 -108152.7313 300.6092 -120.8957 -97.1022 764088.4783 1.2167 1.1112 PRESSURE: 2562400 129.27 27.8236 -29.4523 27.8242 79.2507 -29.109 -29.4532 -29.1096 26.9343 GPRESSURE: 2562400 145.243 31.2613 -36.784 38.0743 166.235 -43.6302 -23.5935 -116.972 30.9812 PRESSAVG: 2562400 -12.4815 11.2225 -0.444078 11.2225 -17.8446 20.7821 -0.44409 20.7822 0.572951 GPRESSAVG: 2562400 -12.3043 9.62413 -1.18332 12.1042 -17.082 20.4915 0.826244 20.6803 -0.286689 TIMING: 2562400 CPU: 8002.71, 0.00313498/step Wall: 8002.71, 0.00313498/step, 2.12273 hours remaining, 235.921875 MB of memory in use. ENERGY: 2562400 4012.7890 20524.8660 14515.5767 250.6949 -203164.4209 2917.9936 0.0000 0.0000 52231.5992 -108710.9016 300.1757 -160942.5008 -108341.7557 300.6944 78.4852 114.1533 763308.3013 -9.9177 -9.8910 PRESSURE: 2562600 -66.6075 105.424 42.8419 105.423 -132.883 -72.1523 42.8434 -72.151 -48.275 GPRESSURE: 2562600 35.387 -32.2172 22.06 114.779 -146.589 -22.7629 153.331 81.7498 -38.1579 PRESSAVG: 2562600 44.6424 60.016 -28.442 60.016 -64.0312 -3.68983 -28.4419 -3.68989 26.3073 GPRESSAVG: 2562600 43.4428 62.37 -28.247 59.1272 -64.4637 -3.26759 -27.4206 -3.20043 27.7773 TIMING: 2562600 CPU: 8003.33, 0.00311441/step Wall: 8003.33, 0.00311441/step, 2.10863 hours remaining, 235.921875 MB of memory in use. ENERGY: 2562600 4043.7667 20805.7922 14403.5562 256.4354 -202431.0635 2489.4280 0.0000 0.0000 51865.9402 -108566.1449 298.0743 -160432.0851 -108210.6787 300.1832 -82.5885 -49.7865 762130.1544 2.3061 2.2521 PRESSURE: 2562800 -11.4799 160.396 107.256 160.395 -164.953 165.936 107.257 165.936 436.108 GPRESSURE: 2562800 -31.0715 133.226 270.94 132.033 -94.3215 108.869 40.5728 43.4193 481.318 PRESSAVG: 2562800 -1.60177 35.451 91.5865 35.451 31.5798 20.7891 91.5864 20.7891 23.3799 GPRESSAVG: 2562800 -1.4126 33.9212 90.9981 35.599 32.429 20.3753 91.5608 19.7698 22.1098 TIMING: 2562800 CPU: 8003.95, 0.00308898/step Wall: 8003.95, 0.00308898/step, 2.09124 hours remaining, 235.921875 MB of memory in use. ENERGY: 2562800 4037.2255 20424.6474 14436.5653 221.8025 -202884.8297 2686.3991 0.0000 0.0000 52351.0497 -108727.1403 300.8622 -161078.1900 -108354.5849 299.7540 86.5584 118.6419 762255.7232 17.7860 17.7087 PRESSURE: 2563000 -19.931 98.6955 7.08276 98.6959 -69.7245 19.7412 7.0824 19.7412 -18.1895 GPRESSURE: 2563000 72.8608 62.5526 -19.2796 16.2777 -55.5196 -4.03854 -21.6334 184.185 -26.8189 PRESSAVG: 2563000 -32.994 19.0551 3.83255 19.0552 73.8519 -12.2421 3.83253 -12.2421 -22.4715 GPRESSAVG: 2563000 -32.9109 18.3409 3.75173 18.7871 73.3837 -12.7151 4.6465 -11.0981 -21.3445 TIMING: 2563000 CPU: 8004.57, 0.00312515/step Wall: 8004.57, 0.00312515/step, 2.11555 hours remaining, 235.921875 MB of memory in use. ENERGY: 2563000 4033.3106 20564.0069 14476.5946 229.5348 -202500.9160 2414.9743 0.0000 0.0000 52238.2869 -108544.2081 300.2142 -160782.4950 -108186.3471 300.2247 -35.9483 -3.1592 763162.4582 6.1288 6.3761 PRESSURE: 2563200 -167.473 122.28 -5.16768 122.279 36.1828 -81.5511 -5.167 -81.5511 -470.02 GPRESSURE: 2563200 -115.322 113.431 7.17549 170.676 -55.7347 -55.9091 -97.0744 -3.74974 -351.267 PRESSAVG: 2563200 -32.0013 14.924 5.32229 14.9239 8.19687 76.4047 5.3223 76.4046 -24.7066 GPRESSAVG: 2563200 -31.5199 16.1233 6.79183 14.3731 8.0223 76.1484 4.5432 79.0629 -24.9075 TIMING: 2563200 CPU: 8005.2, 0.00312646/step Wall: 8005.2, 0.00312646/step, 2.11627 hours remaining, 235.921875 MB of memory in use. ENERGY: 2563200 4021.4932 20525.8115 14557.8183 249.7963 -202525.7064 2631.6621 0.0000 0.0000 52313.7344 -108225.3906 300.6478 -160539.1249 -107849.7007 301.0156 -200.4368 -174.1078 764269.4714 -16.1703 -16.1350 PRESSURE: 2563400 -276.369 -35.2673 28.5501 -35.2664 71.4163 80.7121 28.5501 80.7114 65.8004 GPRESSURE: 2563400 -171.002 -93.2658 104.556 -91.4765 96.4923 72.5899 109.312 196.645 30.2354 PRESSAVG: 2563400 -29.6419 -36.0742 -42.3109 -36.0742 18.4688 35.6411 -42.311 35.6412 13.0858 GPRESSAVG: 2563400 -28.9466 -36.6336 -42.5002 -38.2841 18.0773 35.538 -41.197 35.3849 13.8332 TIMING: 2563400 CPU: 8005.82, 0.00311733/step Wall: 8005.82, 0.00311733/step, 2.10991 hours remaining, 235.921875 MB of memory in use. ENERGY: 2563400 4046.6281 20547.6387 14504.0987 259.9785 -202467.4783 2774.7656 0.0000 0.0000 52313.9711 -108020.3976 300.6491 -160334.3687 -107664.2607 301.5479 -46.3840 -14.7581 765121.8644 0.6376 0.9880 PRESSURE: 2563600 22.7067 132.527 123.441 132.527 -235.284 -151.447 123.441 -151.447 -339.67 GPRESSURE: 2563600 114.077 125.302 148.876 122.983 -243.796 -155.852 22.448 -79.6075 -340.2 PRESSAVG: 2563600 -20.3873 -7.4728 10.2115 -7.47281 11.8001 4.93731 10.2114 4.93733 13.2993 GPRESSAVG: 2563600 -20.858 -7.46586 9.11884 -3.37634 10.8346 4.51279 8.5561 2.54698 14.2035 TIMING: 2563600 CPU: 8006.45, 0.00312778/step Wall: 8006.45, 0.00312778/step, 2.11681 hours remaining, 235.921875 MB of memory in use. ENERGY: 2563600 3994.0598 20452.9669 14503.9287 251.2593 -202252.2320 2328.3018 0.0000 0.0000 52259.8034 -108461.9121 300.3378 -160721.7155 -108091.0274 301.1206 -184.0826 -156.6397 763978.3742 1.5707 1.3934 PRESSURE: 2563800 -247.533 281.367 305.279 281.367 5.29711 283.353 305.279 283.353 -781.852 GPRESSURE: 2563800 -219.937 210.271 205.716 255.163 31.0332 179.803 374.156 212.98 -762.496 PRESSAVG: 2563800 -33.0338 3.76903 -17.886 3.769 41.0068 40.967 -17.886 40.9671 12.787 GPRESSAVG: 2563800 -33.3724 3.68334 -18.6418 0.499371 41.9969 41.9119 -15.4542 40.9601 11.297 TIMING: 2563800 CPU: 8007.08, 0.00314318/step Wall: 8007.08, 0.00314318/step, 2.12706 hours remaining, 235.921875 MB of memory in use. ENERGY: 2563800 4073.4683 20502.5013 14589.3596 239.1689 -202881.2650 2601.2743 0.0000 0.0000 52331.6699 -108543.8226 300.7508 -160875.4926 -108179.4476 300.8089 -341.3627 -317.1333 764041.0043 6.9200 6.6405 PRESSURE: 2564000 -230.216 -159.748 31.763 -159.748 -14.3096 70.0358 31.763 70.0365 313.58 GPRESSURE: 2564000 -287.545 -231.276 57.2369 -174.033 60.8307 124.769 -90.68 18.2979 380.717 PRESSAVG: 2564000 -21.071 -12.3028 -9.4832 -12.3027 -12.176 13.3759 -9.48313 13.376 -5.12495 GPRESSAVG: 2564000 -21.5279 -11.3389 -8.78123 -10.3438 -11.6789 14.2354 -11.7288 13.1447 -5.61146 TIMING: 2564000 CPU: 8007.71, 0.00315051/step Wall: 8007.71, 0.00315051/step, 2.13185 hours remaining, 235.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2564000 3936.8982 20592.3115 14461.4086 259.4243 -202829.5508 2654.3147 0.0000 0.0000 52244.5555 -108680.6379 300.2502 -160925.1934 -108316.6053 300.5869 23.0179 51.3343 765232.3279 -12.7906 -12.9394 PRESSURE: 2564200 -330.968 -171.652 46.6504 -171.652 -183.754 184.225 46.6501 184.225 218.05 GPRESSURE: 2564200 -309.205 -143.955 99.5005 -99.8321 -94.9005 232.071 -42.385 243.852 212.256 PRESSAVG: 2564200 -57.1545 7.8957 -21.7728 7.89573 65.4071 25.3325 -21.7728 25.3325 12.8622 GPRESSAVG: 2564200 -56.4111 7.62787 -21.9174 6.28474 65.9189 24.945 -21.4729 24.9722 11.6962 TIMING: 2564200 CPU: 8008.33, 0.00311311/step Wall: 8008.33, 0.00311311/step, 2.10636 hours remaining, 235.921875 MB of memory in use. ENERGY: 2564200 3966.5261 20619.8958 14459.5699 246.2209 -203019.6577 2928.9220 0.0000 0.0000 52206.0510 -108592.4721 300.0289 -160798.5231 -108228.1412 300.5483 -98.8904 -63.9498 764861.1116 7.0383 7.0680 LDB: ============= START OF LOAD BALANCING ============== 8020.81 LDB: ============== END OF LOAD BALANCING =============== 8020.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8020.81 LDB: ============= START OF LOAD BALANCING ============== 8021.12 LDB: Largest compute 7042 load 0.029210 is 15.0% of average load 0.195117 LDB: Average compute 0.004390 is 2.3% of average load 0.195117 LDB: TIME 8021.12 LOAD: AVG 0.195117 MAX 0.216402 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.051 MB LDB: TIME 8021.12 LOAD: AVG 0.195117 MAX 0.216402 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.051 MB LDB: TIME 8021.12 LOAD: AVG 0.195117 MAX 0.216402 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.051 MB LDB: ============== END OF LOAD BALANCING =============== 8021.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8021.13 PRESSURE: 2564400 -133.196 33.6782 -56.942 33.6787 33.6845 119.933 -56.942 119.933 -212.936 GPRESSURE: 2564400 -156.363 48.9241 -37.0249 22.8533 31.3056 17.8032 -96.9828 85.9382 -100.363 PRESSAVG: 2564400 -31.9933 16.6742 -15.9221 16.6742 24.3904 -32.8839 -15.9222 -32.8839 -8.8283 GPRESSAVG: 2564400 -33.3967 16.024 -16.7717 18.1718 23.8524 -33.3833 -14.7431 -32.9761 -7.14654 TIMING: 2564400 CPU: 8008.97, 0.00318444/step Wall: 8008.97, 0.00318444/step, 2.15445 hours remaining, 236.367188 MB of memory in use. ENERGY: 2564400 3980.0092 20522.9328 14439.5841 226.3930 -202740.6748 2641.6351 0.0000 0.0000 52101.8611 -108828.2596 299.4301 -160930.1207 -108470.2266 299.3434 -104.1490 -75.1400 764984.5563 -5.4771 -5.5636 PRESSURE: 2564600 -137.568 -13.2377 -197.691 -13.2381 228.747 -173.759 -197.692 -173.76 -52.9427 GPRESSURE: 2564600 -99.6667 22.0117 -217.967 61.0915 198.064 -108.887 -191.048 -86.4906 24.2585 PRESSAVG: 2564600 -6.95487 79.4175 26.528 79.4175 39.6475 -0.311096 26.528 -0.311118 -2.93134 GPRESSAVG: 2564600 -7.9524 79.3269 26.3097 77.608 40.9837 -1.09842 26.1272 -0.291991 -3.23332 TIMING: 2564600 CPU: 8009.59, 0.00312165/step Wall: 8009.59, 0.00312165/step, 2.1118 hours remaining, 236.566406 MB of memory in use. ENERGY: 2564600 3997.7019 20476.1523 14521.6977 249.5096 -203219.3840 2973.2471 0.0000 0.0000 52195.8796 -108805.1958 299.9704 -161001.0754 -108439.3468 299.8308 12.7455 40.8851 763525.5765 9.9204 9.9327 PRESSURE: 2564800 136.883 125.473 3.10227 125.473 120.803 -33.9177 3.10279 -33.9181 623.108 GPRESSURE: 2564800 203.776 74.5524 34.7575 98.7505 136.182 -14.1199 42.8673 -109.817 619.658 PRESSAVG: 2564800 -22.2485 64.7302 -12.93 64.7302 4.58756 19.871 -12.93 19.871 -6.65061 GPRESSAVG: 2564800 -21.0495 64.9292 -12.1614 66.0923 3.46835 23.0838 -11.7628 20.99 -6.69608 TIMING: 2564800 CPU: 8010.21, 0.00312324/step Wall: 8010.21, 0.00312324/step, 2.1127 hours remaining, 236.566406 MB of memory in use. ENERGY: 2564800 4036.0758 20508.5732 14518.3226 224.7422 -203101.6704 2873.4440 0.0000 0.0000 52250.1664 -108690.3461 300.2824 -160940.5126 -108323.4947 299.8462 293.5977 319.8717 761968.6100 -8.1039 -8.0924 PRESSURE: 2565000 -33.227 229.554 -0.408069 229.554 -102.84 -139.601 -0.408194 -139.599 -54.5292 GPRESSURE: 2565000 18.2567 315.132 -138.373 235.492 -125.673 -161.493 -36.5726 -56.7089 -3.12072 PRESSAVG: 2565000 46.7951 51.4822 -15.6802 51.4821 4.82683 -17.234 -15.6803 -17.2339 22.3504 GPRESSAVG: 2565000 46.4385 52.3872 -13.4749 52.0527 4.51878 -18.9434 -20.1033 -19.0987 22.889 TIMING: 2565000 CPU: 8010.84, 0.00311238/step Wall: 8010.84, 0.00311238/step, 2.10518 hours remaining, 236.566406 MB of memory in use. ENERGY: 2565000 3962.1077 20591.0125 14420.6707 239.0680 -203095.7311 2738.4871 0.0000 0.0000 52297.4791 -108846.9060 300.5543 -161144.3851 -108493.8848 300.2362 -63.5321 -36.8458 762101.3907 24.6574 24.6154 PRESSURE: 2565200 -221.085 45.4391 -401.361 45.4391 -186.154 -117.336 -401.362 -117.336 -388.602 GPRESSURE: 2565200 -95.8232 28.0135 -305.034 96.6147 -170.803 -59.2462 -348.3 -76.7803 -446.056 PRESSAVG: 2565200 -62.4612 17.1866 -10.9611 17.1867 30.0566 21.8715 -10.9611 21.8714 -34.2916 GPRESSAVG: 2565200 -61.9824 18.1757 -13.0999 16.8789 28.3688 22.4839 -8.41074 24.6465 -32.9456 TIMING: 2565200 CPU: 8011.46, 0.00309822/step Wall: 8011.46, 0.00309822/step, 2.09543 hours remaining, 236.566406 MB of memory in use. ENERGY: 2565200 3935.4629 20386.2280 14461.6701 244.2179 -202784.1844 2525.9992 0.0000 0.0000 52102.4946 -109128.1116 299.4338 -161230.6063 -108764.4450 299.8624 -265.2801 -237.5606 764805.0897 -22.2321 -22.1864 PRESSURE: 2565400 -142.742 325.984 11.462 325.985 -80.7469 10.0471 11.4621 10.0475 -119.104 GPRESSURE: 2565400 -128.046 322.368 20.6429 303.602 -20.367 -30.2473 -3.55666 6.79309 -102.895 PRESSAVG: 2565400 -26.5695 83.6627 -21.4636 83.6626 21.5928 -67.9939 -21.4636 -67.9939 -16.4355 GPRESSAVG: 2565400 -27.158 81.8172 -21.6116 82.0859 22.833 -68.0979 -19.8167 -68.4114 -17.3164 TIMING: 2565400 CPU: 8012.08, 0.00311832/step Wall: 8012.08, 0.00311832/step, 2.10885 hours remaining, 236.566406 MB of memory in use. ENERGY: 2565400 3961.1918 20331.2047 14502.7734 246.8303 -203237.0381 2818.7923 0.0000 0.0000 52078.4684 -109297.7773 299.2957 -161376.2456 -108939.6401 299.5159 -114.1975 -83.7692 764733.5993 -7.1374 -7.2138 PRESSURE: 2565600 -85.0718 -110.157 207.726 -110.156 12.3957 -398.908 207.727 -398.907 -17.2791 GPRESSURE: 2565600 -0.469091 -200.088 157.501 -62.1229 40.8885 -365.064 228.06 -327.878 -59.3846 PRESSAVG: 2565600 51.5506 17.8352 -25.2298 17.8352 -7.26537 -18.8098 -25.2298 -18.8099 14.7746 GPRESSAVG: 2565600 50.6877 19.0425 -25.0849 17.9427 -6.69862 -17.9634 -26.1827 -20.6427 14.4485 TIMING: 2565600 CPU: 8012.7, 0.00309975/step Wall: 8012.7, 0.00309975/step, 2.09612 hours remaining, 236.566406 MB of memory in use. ENERGY: 2565600 4021.3180 20581.1362 14420.1480 275.2812 -203402.4983 2964.8274 0.0000 0.0000 52249.8957 -108889.8917 300.2809 -161139.7875 -108528.4495 299.8470 -29.9851 -6.3217 762565.3389 19.6866 19.4792 PRESSURE: 2565800 -178.307 21.621 -119.253 21.6205 -281.266 -8.4608 -119.253 -8.46068 -85.6896 GPRESSURE: 2565800 -122.284 71.1779 -177.371 8.86153 -212.806 -14.8355 -101.323 66.8432 -118.238 PRESSAVG: 2565800 -6.20886 3.32498 -5.37758 3.32499 -55.7571 -41.2537 -5.37758 -41.2537 -14.2168 GPRESSAVG: 2565800 -4.72088 1.52228 -5.47706 3.42882 -56.6724 -41.4061 -7.65692 -39.7484 -14.6867 TIMING: 2565800 CPU: 8013.32, 0.00309735/step Wall: 8013.32, 0.00309735/step, 2.09432 hours remaining, 236.566406 MB of memory in use. ENERGY: 2565800 4037.9248 20528.2687 14442.6299 263.7977 -203257.9527 2917.5237 0.0000 0.0000 52057.3014 -109010.5066 299.1740 -161067.8080 -108660.1749 299.5102 -181.7543 -151.1094 761957.0884 -25.3943 -25.3600 PRESSURE: 2566000 -461.208 265.07 -24.4785 265.07 -403.823 -105.338 -24.4794 -105.338 -432.23 GPRESSURE: 2566000 -432.46 280.537 23.5516 215.7 -287.2 -33.8628 -99.8956 -245.87 -495.033 PRESSAVG: 2566000 -15.4747 38.9352 56.6636 38.9352 10.3267 -44.6926 56.6636 -44.6927 -13.7787 GPRESSAVG: 2566000 -14.4019 42.282 57.9308 37.6483 9.91688 -45.9629 57.7496 -44.0933 -14.2591 TIMING: 2566000 CPU: 8013.94, 0.00311095/step Wall: 8013.94, 0.00311095/step, 2.10335 hours remaining, 236.566406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2566000 4102.3829 20512.7939 14520.5181 228.0299 -203005.7142 2626.0638 0.0000 0.0000 52021.0119 -108994.9137 298.9655 -161015.9255 -108631.6300 299.8599 -432.4205 -404.8978 762061.9192 -6.3089 -6.2480 PRESSURE: 2566200 154.636 -11.3908 37.4598 -11.3907 -179.015 -96.6791 37.4605 -96.6787 99.3309 GPRESSURE: 2566200 137.714 -16.2646 97.0814 -26.9266 -69.5724 -147.674 -54.7199 -45.3801 88.5571 PRESSAVG: 2566200 -37.7474 57.0457 10.2207 57.0457 17.7529 3.68253 10.2207 3.68248 18.7374 GPRESSAVG: 2566200 -40.208 54.2378 10.9239 58.6304 20.654 4.02592 10.2661 2.51295 18.5547 TIMING: 2566200 CPU: 8014.56, 0.00310593/step Wall: 8014.56, 0.00310593/step, 2.09978 hours remaining, 236.566406 MB of memory in use. ENERGY: 2566200 3985.7261 20434.0650 14545.3510 236.6547 -203106.1622 2819.8858 0.0000 0.0000 52153.8490 -108930.6306 299.7289 -161084.4796 -108559.8938 299.7071 24.9842 52.2329 762679.9938 -0.4190 -0.3331 PRESSURE: 2566400 -256.271 -71.716 52.6099 -71.7153 94.9861 -46.8335 52.6092 -46.8333 312.602 GPRESSURE: 2566400 -191.641 -43.5903 126.868 2.47717 84.6997 -80.0561 62.8425 -40.8819 347.809 PRESSAVG: 2566400 -13.377 -23.5011 -13.2704 -23.501 40.6477 -7.94152 -13.2705 -7.94152 -3.1419 GPRESSAVG: 2566400 -11.9366 -21.6715 -14.8574 -24.5433 38.1466 -7.70753 -12.3889 -7.72208 -2.13862 TIMING: 2566400 CPU: 8015.19, 0.00314046/step Wall: 8015.19, 0.00314046/step, 2.12295 hours remaining, 236.566406 MB of memory in use. ENERGY: 2566400 4061.8676 20764.7969 14421.1031 242.8827 -203018.0812 2654.4187 0.0000 0.0000 51804.4616 -109068.5506 297.7210 -160873.0122 -108705.8288 299.5469 50.4392 80.2892 762554.1352 8.0429 8.0238 PRESSURE: 2566600 -465.103 44.1193 184.6 44.1195 -132.007 138.645 184.6 138.644 237.881 GPRESSURE: 2566600 -400.061 35.3793 243.647 -22.7769 -95.4641 193.324 225.81 120.676 220.584 PRESSAVG: 2566600 -16.0489 -41.5196 -45.6562 -41.5195 49.3775 27.1548 -45.6562 27.1549 -18.9172 GPRESSAVG: 2566600 -15.4408 -42.9937 -46.5631 -40.4812 50.1284 26.8729 -47.8093 27.5536 -19.194 TIMING: 2566600 CPU: 8015.81, 0.00311134/step Wall: 8015.81, 0.00311134/step, 2.10309 hours remaining, 236.566406 MB of memory in use. ENERGY: 2566600 4040.1929 20459.0752 14442.1177 247.1337 -202975.7179 2579.2735 0.0000 0.0000 52286.8985 -108921.0264 300.4935 -161207.9248 -108563.8184 299.7545 -119.7433 -91.6471 762069.1666 4.8038 5.1645 PRESSURE: 2566800 -410.88 -75.6734 -68.807 -75.673 -624.741 262.097 -68.8068 262.097 -328.899 GPRESSURE: 2566800 -413.767 52.0198 -157.484 -132.98 -567.493 329.66 -176.813 182.686 -323.442 PRESSAVG: 2566800 -48.07 -22.6742 -15.9772 -22.6741 33.2213 55.0429 -15.9773 55.0429 5.68711 GPRESSAVG: 2566800 -47.9582 -21.8984 -15.3531 -21.4539 32.4211 55.4649 -13.0888 52.1268 5.99419 TIMING: 2566800 CPU: 8016.44, 0.00312787/step Wall: 8016.44, 0.00312787/step, 2.11409 hours remaining, 236.566406 MB of memory in use. ENERGY: 2566800 4051.0064 20642.1192 14482.5897 251.4778 -202608.1533 2359.9728 0.0000 0.0000 51879.3942 -108941.5932 298.1516 -160820.9874 -108577.0738 300.0907 -454.8399 -434.9004 762999.5101 -3.0539 -3.1810 PRESSURE: 2567000 -178.385 188.48 17.662 188.48 40.1267 153.388 17.6622 153.389 4.51984 GPRESSURE: 2567000 -156.237 75.6435 72.3325 210.504 24.7689 117.304 -19.6834 48.2326 67.6418 PRESSAVG: 2567000 -92.8636 0.611869 -4.57711 0.611839 40.9725 -17.6258 -4.57706 -17.6257 -22.9994 GPRESSAVG: 2567000 -93.581 -0.423565 -2.5222 -1.18557 42.5811 -18.6284 -7.62843 -13.9957 -23.4026 TIMING: 2567000 CPU: 8017.06, 0.00312965/step Wall: 8017.06, 0.00312965/step, 2.11512 hours remaining, 236.566406 MB of memory in use. ENERGY: 2567000 4019.5520 20537.0986 14388.6388 239.4103 -203504.8184 3022.1827 0.0000 0.0000 52047.5559 -109250.3799 299.1180 -161297.9358 -108890.0617 299.5456 -44.5794 -21.2755 760377.3035 -24.9635 -24.8008 PRESSURE: 2567200 77.1656 -56.5537 -104.936 -56.5535 286.487 -253.573 -104.937 -253.572 -45.5914 GPRESSURE: 2567200 71.7417 37.337 -95.3719 40.4808 313.593 -244.302 -211.889 -257.99 -3.371 PRESSAVG: 2567200 -90.6142 5.84879 -55.8409 5.84877 95.0068 -24.9572 -55.8409 -24.9571 -12.8932 GPRESSAVG: 2567200 -89.4907 5.37041 -57.0335 6.20148 93.7295 -25.5436 -56.0673 -26.4371 -12.6663 TIMING: 2567200 CPU: 8017.69, 0.00311565/step Wall: 8017.69, 0.00311565/step, 2.10549 hours remaining, 236.566406 MB of memory in use. ENERGY: 2567200 3873.1913 20490.7643 14481.6046 247.4755 -203380.6575 2809.1628 0.0000 0.0000 52339.3867 -109139.0722 300.7952 -161478.4589 -108762.9988 299.6451 106.0204 127.3214 761180.8679 -2.8335 -2.8092 PRESSURE: 2567400 238.442 -26.081 -124.523 -26.081 262.21 47.2219 -124.523 47.2219 -260.726 GPRESSURE: 2567400 262.866 41.9214 -159.554 14.0735 303.799 84.8444 -29.4923 2.69447 -236.253 PRESSAVG: 2567400 3.80994 9.58747 -23.9844 9.58742 25.571 -23.6949 -23.9844 -23.695 5.71103 GPRESSAVG: 2567400 3.1588 9.1472 -25.6353 11.8078 26.2291 -23.2516 -20.5104 -22.071 6.06496 TIMING: 2567400 CPU: 8018.31, 0.00310229/step Wall: 8018.31, 0.00310229/step, 2.09629 hours remaining, 236.566406 MB of memory in use. ENERGY: 2567400 3928.7107 20615.5880 14451.1870 225.9247 -203143.7498 2928.6079 0.0000 0.0000 52138.7832 -108854.9482 299.6423 -160993.7315 -108485.9387 299.5661 79.9754 110.1373 762817.8147 11.6973 11.8176 PRESSURE: 2567600 -192.181 147.897 -177.407 147.897 -101.882 -92.1059 -177.406 -92.1051 119.662 GPRESSURE: 2567600 -210.03 29.1884 -163.921 252.622 22.3193 -102.601 -149.456 -2.4142 105.182 PRESSAVG: 2567600 -81.0427 12.3777 -64.0867 12.3778 42.803 11.2951 -64.0867 11.2951 3.4019 GPRESSAVG: 2567600 -81.4017 12.6491 -62.9528 11.8034 43.5731 10.707 -65.3545 11.0726 3.17564 TIMING: 2567600 CPU: 8018.93, 0.00310911/step Wall: 8018.93, 0.00310911/step, 2.10072 hours remaining, 236.566406 MB of memory in use. ENERGY: 2567600 4013.1658 20627.2102 14430.0196 245.1831 -202933.9406 2533.0405 0.0000 0.0000 52294.4418 -108790.8794 300.5369 -161085.3212 -108417.0398 300.4605 -58.1335 -27.5097 763255.2970 -11.6126 -11.5510 PRESSURE: 2567800 96.1923 -22.5363 34.7781 -22.5362 -207.636 76.2846 34.7776 76.2855 57.1007 GPRESSURE: 2567800 81.9327 80.6903 84.8136 21.428 -140.569 124.301 -69.7092 125.876 90.7322 PRESSAVG: 2567800 -25.9516 17.0171 -71.1619 17.0172 25.7364 -10.3814 -71.162 -10.3814 5.74682 GPRESSAVG: 2567800 -25.0121 16.7583 -71.4438 16.4767 24.2688 -7.759 -73.0841 -10.6678 5.46458 TIMING: 2567800 CPU: 8019.55, 0.00311509/step Wall: 8019.55, 0.00311509/step, 2.10459 hours remaining, 236.566406 MB of memory in use. ENERGY: 2567800 4072.1440 20717.8083 14470.6030 235.9334 -203291.9873 2905.9687 0.0000 0.0000 52135.7240 -108753.8058 299.6247 -160889.5299 -108403.0328 300.3138 -18.1142 10.6986 763765.2167 1.8439 1.5738 PRESSURE: 2568000 -276.001 -211.883 203.485 -211.884 145.661 -293.525 203.485 -293.525 98.987 GPRESSURE: 2568000 -251.691 -285.766 195.768 -153.726 275.243 -236.747 40.8994 -309.339 32.5124 PRESSAVG: 2568000 -42.3908 -5.42208 61.2508 -5.42215 33.3865 -37.6832 61.2508 -37.6832 -16.1176 GPRESSAVG: 2568000 -43.5818 -4.71927 61.0857 -5.85583 35.9967 -38.8884 60.6209 -37.4929 -17.0167 TIMING: 2568000 CPU: 8020.17, 0.0031054/step Wall: 8020.17, 0.0031054/step, 2.09787 hours remaining, 236.566406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2568000 4071.9400 20489.9036 14497.9316 242.0976 -202928.4490 2557.5167 0.0000 0.0000 52118.2085 -108950.8509 299.5241 -161069.0594 -108589.9384 300.1662 -10.4508 18.6882 762215.9538 -8.3739 -8.2006 PRESSURE: 2568200 -229.657 -100.496 -63.6162 -100.496 -27.0152 -111.841 -63.6169 -111.842 -150.543 GPRESSURE: 2568200 -153.014 -121.394 -25.2198 -93.2177 -51.8359 -111.013 -24.7992 -127.915 -113.506 PRESSAVG: 2568200 -33.6676 3.94492 -6.63682 3.94491 7.3896 -49.8707 -6.63681 -49.8708 -11.3646 GPRESSAVG: 2568200 -33.1476 3.87713 -5.98215 3.90199 6.77275 -49.3712 -6.24281 -51.9277 -10.6617 TIMING: 2568200 CPU: 8020.79, 0.00310197/step Wall: 8020.79, 0.00310197/step, 2.09538 hours remaining, 236.566406 MB of memory in use. ENERGY: 2568200 4054.6190 20666.2725 14532.3717 257.2797 -203243.9746 2745.4268 0.0000 0.0000 52417.0226 -108570.9823 301.2413 -160988.0048 -108203.1354 300.3386 -135.7384 -106.1184 763251.6945 -12.5475 -12.3455 LDB: ============= START OF LOAD BALANCING ============== 8033.27 LDB: ============== END OF LOAD BALANCING =============== 8033.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8033.27 LDB: ============= START OF LOAD BALANCING ============== 8033.58 LDB: Largest compute 7064 load 0.030096 is 15.4% of average load 0.195168 LDB: Average compute 0.004367 is 2.2% of average load 0.195168 LDB: TIME 8033.59 LOAD: AVG 0.195168 MAX 0.218619 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 8033.59 LOAD: AVG 0.195168 MAX 0.218619 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.352 MB LDB: TIME 8033.59 LOAD: AVG 0.195168 MAX 0.217279 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.352 MB LDB: ============== END OF LOAD BALANCING =============== 8033.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8033.59 PRESSURE: 2568400 -155.727 -65.6052 -158.12 -65.6057 -25.1712 84.8887 -158.12 84.8885 -301.867 GPRESSURE: 2568400 -53.0984 -78.9113 -143.162 -107.916 -49.8831 44.8151 69.4491 136.838 -284.018 PRESSAVG: 2568400 -46.8203 -39.3434 28.0467 -39.3433 35.333 6.70573 28.0466 6.70576 -0.128145 GPRESSAVG: 2568400 -46.2008 -37.932 27.05 -41.5567 35.082 6.3043 30.7907 8.06413 -0.160379 TIMING: 2568400 CPU: 8021.43, 0.00317317/step Wall: 8021.43, 0.00317317/step, 2.1433 hours remaining, 235.023438 MB of memory in use. ENERGY: 2568400 4014.0548 20508.2978 14483.2465 251.1260 -203000.8160 2547.2172 0.0000 0.0000 52222.9489 -108973.9248 300.1260 -161196.8737 -108608.4014 300.3218 -160.9215 -128.9999 763415.4448 -3.8718 -3.7597 PRESSURE: 2568600 57.1173 -52.3113 3.29335 -52.3119 317.172 18.4769 3.29347 18.4788 -59.4922 GPRESSURE: 2568600 78.0409 -46.8346 24.5838 -137.42 358.568 43.2933 -10.151 -45.084 -33.5825 PRESSAVG: 2568600 -4.58549 -8.62725 36.035 -8.62728 32.1429 2.35608 36.035 2.35607 -2.98942 GPRESSAVG: 2568600 -5.55992 -10.1699 35.3109 -5.31253 32.877 0.995569 35.3 1.94657 -3.47244 TIMING: 2568600 CPU: 8022.05, 0.00310011/step Wall: 8022.05, 0.00310011/step, 2.09378 hours remaining, 235.023438 MB of memory in use. ENERGY: 2568600 3995.7763 20654.0158 14495.7040 248.7575 -203061.8662 2667.4368 0.0000 0.0000 52154.1075 -108846.0683 299.7304 -161000.1758 -108478.0617 299.8572 104.9323 134.3422 761832.2763 8.1893 7.9482 PRESSURE: 2568800 465.852 -86.9648 196.257 -86.965 468.734 26.7447 196.257 26.7451 357.309 GPRESSURE: 2568800 488.383 -138.245 129.401 8.31928 522.763 -7.92272 162.832 56.1848 354.946 PRESSAVG: 2568800 -14.1147 6.84016 -0.371032 6.84016 1.24678 -44.1122 -0.37107 -44.1122 8.38995 GPRESSAVG: 2568800 -15.0096 6.63753 0.497123 6.22446 0.897377 -42.7585 -1.58711 -43.7426 9.13939 TIMING: 2568800 CPU: 8022.67, 0.0031047/step Wall: 8022.67, 0.0031047/step, 2.09671 hours remaining, 235.023438 MB of memory in use. ENERGY: 2568800 4043.9641 20493.8987 14470.9317 219.4200 -203470.0692 3145.4048 0.0000 0.0000 52206.6310 -108889.8190 300.0322 -161096.4500 -108528.8819 300.1590 430.6317 455.3638 762932.2457 -1.4926 -1.6576 PRESSURE: 2569000 -56.2374 93.765 -22.6309 93.7645 95.9477 -25.9239 -22.6316 -25.924 309.528 GPRESSURE: 2569000 120.775 4.44933 -64.7121 62.9088 16.592 -34.01 -43.7324 -66.1957 286.607 PRESSAVG: 2569000 -57.5259 16.0392 16.3116 16.0392 42.3782 -36.3557 16.3115 -36.3558 15.418 GPRESSAVG: 2569000 -55.5476 17.0198 13.9864 16.8315 41.012 -36.4901 17.4622 -38.6994 15.5178 TIMING: 2569000 CPU: 8023.3, 0.00313228/step Wall: 8023.3, 0.00313228/step, 2.11516 hours remaining, 235.023438 MB of memory in use. ENERGY: 2569000 3966.0654 20611.6848 14423.5328 246.7866 -203258.3534 2735.0970 0.0000 0.0000 52411.5042 -108863.6824 301.2096 -161275.1867 -108505.5733 299.4477 116.4127 141.3246 763204.5000 0.0901 0.3274 PRESSURE: 2569200 282.1 -18.9454 -112.36 -18.9448 105.828 14.8102 -112.361 14.8095 216.649 GPRESSURE: 2569200 316.879 67.2781 -52.9348 188.002 144.886 22.4311 -26.2587 32.9112 251.436 PRESSAVG: 2569200 -58.487 54.7898 34.3516 54.7898 60.2286 -14.1677 34.3515 -14.1676 -4.79785 GPRESSAVG: 2569200 -60.9311 56.5757 35.2257 55.2641 61.8505 -14.4708 32.3128 -11.8091 -3.98722 TIMING: 2569200 CPU: 8023.92, 0.00312039/step Wall: 8023.92, 0.00312039/step, 2.10696 hours remaining, 235.023438 MB of memory in use. ENERGY: 2569200 3928.6352 20508.6080 14408.6911 252.9183 -202936.8912 2784.3994 0.0000 0.0000 52066.7666 -108986.8725 299.2284 -161053.6391 -108626.5317 299.7875 201.5254 237.7338 763464.5904 -1.0187 -1.0226 PRESSURE: 2569400 -190.192 20.6505 244.037 20.6508 -334.024 29.8619 244.036 29.8623 -146.261 GPRESSURE: 2569400 -96.3169 -95.0506 338.205 -101.952 -272.357 64.1984 98.5423 -22.6171 -226.174 PRESSAVG: 2569400 -28.6618 54.8074 55.3403 54.8075 22.6727 62.9689 55.3403 62.9689 -11.6155 GPRESSAVG: 2569400 -28.0141 53.1256 58.1164 53.9111 23.5296 64.1837 55.1683 60.7977 -13.1055 TIMING: 2569400 CPU: 8024.54, 0.00308538/step Wall: 8024.54, 0.00308538/step, 2.08315 hours remaining, 235.023438 MB of memory in use. ENERGY: 2569400 4126.5309 20497.2543 14422.4287 238.5424 -202926.4124 2780.2667 0.0000 0.0000 52244.1133 -108617.2761 300.2476 -160861.3894 -108256.0214 299.9172 -223.4925 -198.2828 763174.5761 -5.8682 -5.8633 PRESSURE: 2569600 244.008 6.312 86.6038 6.31301 113.197 75.1309 86.6038 75.1299 -107.595 GPRESSURE: 2569600 252.904 -5.60839 97.703 124.982 44.6309 61.8404 37.8199 90.1947 25.2875 PRESSAVG: 2569600 -45.6156 -17.4404 6.10999 -17.4405 43.681 18.045 6.11003 18.045 -6.81028 GPRESSAVG: 2569600 -44.2375 -17.9607 5.60489 -18.0422 41.4305 18.0119 4.47946 18.9758 -6.23314 TIMING: 2569600 CPU: 8025.16, 0.00309798/step Wall: 8025.16, 0.00309798/step, 2.09148 hours remaining, 235.214844 MB of memory in use. ENERGY: 2569600 4032.1460 20594.2138 14464.2484 258.3723 -202877.6604 2667.5144 0.0000 0.0000 52421.1346 -108440.0309 301.2650 -160861.1655 -108081.8431 300.8326 83.2034 107.6076 762354.3325 -2.9150 -3.0134 PRESSURE: 2569800 -389.829 -145.895 -35.2814 -145.894 -188.487 -115.632 -35.2809 -115.633 -189.438 GPRESSURE: 2569800 -331.751 -23.2603 -51.8289 -87.6801 -108.587 -181.204 -67.4917 -41.0679 -245.703 PRESSAVG: 2569800 -59.8778 -15.3697 10.1224 -15.3696 55.9764 -46.0946 10.1224 -46.0947 1.74588 GPRESSAVG: 2569800 -60.2076 -15.2036 8.53628 -14.82 57.3644 -47.407 12.3699 -47.628 0.790206 TIMING: 2569800 CPU: 8025.78, 0.00308812/step Wall: 8025.78, 0.00308812/step, 2.08465 hours remaining, 235.214844 MB of memory in use. ENERGY: 2569800 3985.9831 20846.4078 14475.8151 247.2887 -203007.8318 2737.0694 0.0000 0.0000 52435.2212 -108280.0464 301.3459 -160715.2676 -107921.1064 301.2981 -255.9181 -228.6804 763558.0054 -0.7185 -0.6843 PRESSURE: 2570000 167.835 -133.703 16.1739 -133.703 -17.8826 -134.552 16.173 -134.552 91.3146 GPRESSURE: 2570000 136.586 -68.8939 105.041 -79.4776 90.8056 -84.8837 37.2506 29.0891 115.154 PRESSAVG: 2570000 -21.3656 -45.9807 -15.1968 -45.9807 -11.6849 18.0582 -15.1967 18.0583 -18.7675 GPRESSAVG: 2570000 -23.3186 -44.3263 -13.7949 -45.6114 -11.5189 18.4536 -15.2256 19.7726 -16.9054 TIMING: 2570000 CPU: 8026.39, 0.00309804/step Wall: 8026.39, 0.00309804/step, 2.09118 hours remaining, 235.214844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2570000 3941.8766 20715.4633 14490.5151 251.0177 -202975.9288 2830.4508 0.0000 0.0000 52258.6428 -108487.9625 300.3311 -160746.6053 -108125.4502 300.8457 80.4225 114.1821 763190.4179 -17.2726 -17.2476 PRESSURE: 2570200 -114.639 -16.0276 99.46 -16.0277 242.81 -42.3875 99.4601 -42.3864 -137.03 GPRESSURE: 2570200 1.87123 79.546 141.479 94.63 207.57 -0.846919 156.857 -105.931 -130.178 PRESSAVG: 2570200 -7.87881 8.85924 23.6157 8.85923 49.0979 11.289 23.6158 11.289 40.8712 GPRESSAVG: 2570200 -7.47082 7.96517 21.2307 7.97043 49.283 11.1581 23.0713 10.0282 40.5615 TIMING: 2570200 CPU: 8027.01, 0.00307806/step Wall: 8027.01, 0.00307805/step, 2.07752 hours remaining, 235.214844 MB of memory in use. ENERGY: 2570200 4061.7663 20635.2453 14458.1676 246.5786 -203088.6930 2853.2204 0.0000 0.0000 52194.8335 -108638.8813 299.9644 -160833.7148 -108277.4069 300.9982 -2.9531 26.4211 761751.9638 27.3634 27.4579 PRESSURE: 2570400 146.732 -51.2701 -171.106 -51.27 277.94 218.806 -171.106 218.807 447.198 GPRESSURE: 2570400 265.222 -38.7412 -96.5284 117.879 245.038 179.565 -161.009 226.301 431.951 PRESSAVG: 2570400 -18.6582 7.0928 26.2847 7.09283 51.2108 23.7388 26.2847 23.7388 4.21338 GPRESSAVG: 2570400 -17.2794 7.33429 25.0542 7.06902 50.2822 24.7014 26.4811 22.891 2.6941 TIMING: 2570400 CPU: 8027.63, 0.00309007/step Wall: 8027.63, 0.00309007/step, 2.08545 hours remaining, 235.214844 MB of memory in use. ENERGY: 2570400 3995.7313 20606.6403 14409.0026 262.7256 -203266.7796 2917.3371 0.0000 0.0000 52398.2007 -108677.1420 301.1332 -161075.3428 -108311.8214 301.2211 290.6237 314.0702 762007.8922 12.2553 11.8990 PRESSURE: 2570600 28.8836 -131.993 29.564 -131.993 282.37 167.682 29.5641 167.683 -10.0147 GPRESSURE: 2570600 94.6568 -116.199 75.0099 -60.6036 307.606 200.633 -29.4365 204.883 -6.07529 PRESSAVG: 2570600 -12.0818 -53.2501 8.25906 -53.2502 83.6841 1.18834 8.25904 1.18835 20.639 GPRESSAVG: 2570600 -13.1604 -52.489 9.38623 -53.6839 85.0415 0.127226 8.03345 5.0794 20.2875 TIMING: 2570600 CPU: 8028.25, 0.00309493/step Wall: 8028.25, 0.00309493/step, 2.08856 hours remaining, 235.214844 MB of memory in use. ENERGY: 2570600 3931.9904 20605.0962 14429.3261 244.7504 -202927.6967 2791.7307 0.0000 0.0000 52187.0005 -108737.8024 299.9194 -160924.8028 -108379.8539 300.5574 100.4128 132.0626 763142.6449 30.7471 30.7228 PRESSURE: 2570800 -7.80392 81.5269 121.739 81.5262 -194.146 -130.2 121.739 -130.199 45.6715 GPRESSURE: 2570800 58.9114 43.2015 28.9542 103.826 -157.504 -139.999 194.561 -162.558 46.4804 PRESSAVG: 2570800 32.4184 7.45872 -37.6559 7.45865 -8.71509 -39.287 -37.6559 -39.2869 -14.378 GPRESSAVG: 2570800 33.5555 5.86465 -37.0336 8.77561 -12.248 -39.1613 -36.4216 -41.7333 -12.0538 TIMING: 2570800 CPU: 8028.86, 0.00308677/step Wall: 8028.86, 0.00308677/step, 2.08288 hours remaining, 235.214844 MB of memory in use. ENERGY: 2570800 4034.9319 20388.3040 14443.8960 255.3575 -202979.2869 2659.8482 0.0000 0.0000 52227.0591 -108969.8901 300.1496 -161196.9492 -108605.0474 300.1279 -52.0927 -17.3708 762084.1788 3.1084 3.0846 PRESSURE: 2571000 121.727 -56.4264 -111.852 -56.4282 34.527 -107.231 -111.852 -107.229 295.093 GPRESSURE: 2571000 160.931 63.8247 -102.118 -154.722 163.435 -44.3072 -183.539 -251.758 213.917 PRESSAVG: 2571000 -10.3391 -56.8794 -35.5187 -56.8793 27.2026 -54.7256 -35.5188 -54.7256 18.2928 GPRESSAVG: 2571000 -11.881 -56.8396 -35.577 -58.1399 30.2208 -54.4196 -36.3605 -54.2753 16.3181 TIMING: 2571000 CPU: 8029.49, 0.00310317/step Wall: 8029.49, 0.00310317/step, 2.09377 hours remaining, 235.417969 MB of memory in use. ENERGY: 2571000 4020.1928 20471.1847 14432.2378 248.2473 -202792.7693 2511.9930 0.0000 0.0000 52130.2560 -108978.6577 299.5933 -161108.9137 -108608.0014 299.9059 150.4489 179.4279 761981.7156 11.7188 11.5526 PRESSURE: 2571200 152.306 -129.325 -76.5006 -129.325 -309.255 -91.8583 -76.5016 -91.8575 -86.6892 GPRESSURE: 2571200 114.035 -36.1404 -72.497 -69.1242 -198.738 -81.8225 -17.3746 -87.3253 -67.5742 PRESSAVG: 2571200 36.5392 43.9781 -38.33 43.9781 -16.2205 -36.4081 -38.33 -36.4081 -22.9429 GPRESSAVG: 2571200 36.4077 45.1718 -37.7946 45.5139 -16.8736 -37.4858 -40.5235 -36.474 -21.8901 TIMING: 2571200 CPU: 8030.11, 0.00313274/step Wall: 8030.11, 0.00313274/step, 2.11356 hours remaining, 235.417969 MB of memory in use. ENERGY: 2571200 3946.7048 20452.5985 14476.0833 253.1908 -203021.1237 2653.8056 0.0000 0.0000 52248.5284 -108990.2123 300.2730 -161238.7407 -108627.8937 299.9517 -81.2127 -50.7590 763261.3429 -0.8747 -0.7853 PRESSURE: 2571400 263.287 -114.558 -310.305 -114.558 129.22 129.479 -310.305 129.48 163.216 GPRESSURE: 2571400 355.522 -87.9964 -272.074 20.2122 137.604 134.554 -123.982 211.156 141.52 PRESSAVG: 2571400 23.9209 43.5597 -20.2993 43.5597 -2.37657 -37.9858 -20.2993 -37.9858 30.8251 GPRESSAVG: 2571400 23.6586 41.1778 -19.3069 43.0144 -2.08012 -37.3684 -19.2079 -37.9113 30.6052 TIMING: 2571400 CPU: 8030.73, 0.00309894/step Wall: 8030.73, 0.00309894/step, 2.09058 hours remaining, 235.417969 MB of memory in use. ENERGY: 2571400 3991.2986 20575.1827 14462.8472 256.9830 -203317.6013 2656.8662 0.0000 0.0000 52258.4086 -109116.0149 300.3298 -161374.4236 -108760.8513 299.7909 185.2409 211.5483 762618.0177 17.4565 17.3946 PRESSURE: 2571600 -191.334 151.143 -58.1785 151.143 -25.6771 -216.716 -58.1791 -216.715 -6.2995 GPRESSURE: 2571600 -115.134 210.691 9.03214 121.59 -16.2038 -230.267 24.4481 -211.999 28.5322 PRESSAVG: 2571600 1.66797 13.5015 23.6006 13.5015 -51.0134 -20.7041 23.6006 -20.7041 13.8927 GPRESSAVG: 2571600 2.96027 15.2714 21.9366 12.3827 -51.0903 -21.4843 23.8683 -20.3805 13.2565 TIMING: 2571600 CPU: 8031.35, 0.00311649/step Wall: 8031.35, 0.00311649/step, 2.10224 hours remaining, 235.417969 MB of memory in use. ENERGY: 2571600 3969.0576 20564.7854 14445.6734 256.8433 -203240.9905 2911.3830 0.0000 0.0000 52166.8728 -108926.3751 299.8037 -161093.2479 -108572.8691 299.3592 -74.4369 -34.2686 761594.7285 -11.8176 -11.6245 PRESSURE: 2571800 -145.296 155.071 216.022 155.07 -105.957 -142.529 216.023 -142.528 -37.6629 GPRESSURE: 2571800 -131.147 78.2523 213.31 -25.0843 -67.7586 -183.464 79.356 -83.2674 -0.754177 PRESSAVG: 2571800 -7.19149 4.21289 -48.145 4.21289 2.97904 -49.8912 -48.145 -49.8912 -7.5394 GPRESSAVG: 2571800 -7.29318 3.21289 -46.3018 3.65336 3.84112 -49.1641 -48.1611 -49.7151 -8.49073 TIMING: 2571800 CPU: 8031.98, 0.00311723/step Wall: 8031.98, 0.00311723/step, 2.10257 hours remaining, 235.417969 MB of memory in use. ENERGY: 2571800 4045.5622 20672.1512 14440.3721 252.2910 -203643.3140 3077.4601 0.0000 0.0000 52179.7717 -108975.7058 299.8779 -161155.4775 -108619.7722 299.5294 -96.3053 -66.5534 762820.2042 -3.9173 -3.9809 PRESSURE: 2572000 -177.519 -77.0693 -127.113 -77.0699 -98.8043 209.827 -127.113 209.829 -124.497 GPRESSURE: 2572000 -179.663 34.1512 -128.091 -105.914 -87.3878 140.335 -155.782 176.586 -66.0392 PRESSAVG: 2572000 -7.70605 -3.30393 0.264768 -3.30386 -6.19089 6.72392 0.264778 6.72382 4.52075 GPRESSAVG: 2572000 -8.63855 -3.6611 -0.882039 -1.21488 -7.12657 8.22803 -0.247428 4.69693 5.74531 TIMING: 2572000 CPU: 8032.6, 0.00313108/step Wall: 8032.6, 0.00313108/step, 2.11174 hours remaining, 235.417969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2572000 4053.9356 20503.7055 14479.7196 252.3386 -203310.7694 2886.5008 0.0000 0.0000 52061.9963 -109072.5730 299.2010 -161134.5693 -108704.6203 299.6783 -133.6068 -111.0301 765242.1940 -3.1254 -3.3399 PRESSURE: 2572200 -341.517 80.0476 -184.256 80.0485 -448.164 8.22432 -184.255 8.22356 -361.398 GPRESSURE: 2572200 -300.203 24.8772 -20.5103 70.7972 -354.069 43.9312 -272.079 -79.5338 -416.357 PRESSAVG: 2572200 3.62092 34.6816 -42.4369 34.6817 -0.425385 -30.8632 -42.4369 -30.8632 2.21403 GPRESSAVG: 2572200 3.77791 34.2487 -42.9569 32.63 0.984062 -30.597 -40.5698 -29.0767 0.782724 TIMING: 2572200 CPU: 8033.24, 0.00315327/step Wall: 8033.24, 0.00315328/step, 2.12653 hours remaining, 235.417969 MB of memory in use. ENERGY: 2572200 3995.7979 20534.1557 14477.2235 238.2387 -203468.1701 2681.2567 0.0000 0.0000 52212.7093 -109328.7884 300.0672 -161541.4976 -108959.0072 299.2702 -383.6929 -356.8764 762381.4495 1.8032 1.8482 LDB: ============= START OF LOAD BALANCING ============== 8045.71 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8045.71 LDB: =============== DONE WITH MIGRATION ================ 8045.72 LDB: ============= START OF LOAD BALANCING ============== 8046.03 LDB: Largest compute 7064 load 0.031354 is 16.1% of average load 0.195134 LDB: Average compute 0.004387 is 2.2% of average load 0.195134 LDB: TIME 8046.03 LOAD: AVG 0.195134 MAX 0.215153 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.23 MB LDB: TIME 8046.03 LOAD: AVG 0.195134 MAX 0.215153 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.234 MB LDB: TIME 8046.03 LOAD: AVG 0.195134 MAX 0.215153 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.234 MB LDB: ============== END OF LOAD BALANCING =============== 8046.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8046.04 PRESSURE: 2572400 -31.1753 163.847 99.6847 163.848 13.5589 120.162 99.684 120.161 -191.499 GPRESSURE: 2572400 -92.6056 126.948 114.706 131.569 78.2219 102.124 179.069 -12.258 -109.78 PRESSAVG: 2572400 24.0898 4.74535 -13.7652 4.74535 17.5737 -4.37225 -13.7652 -4.37218 12.5104 GPRESSAVG: 2572400 22.4496 6.3413 -12.6553 5.25813 17.888 -5.08534 -15.7384 -5.02684 13.7421 TIMING: 2572400 CPU: 8033.87, 0.00318776/step Wall: 8033.87, 0.00318776/step, 2.14961 hours remaining, 235.535156 MB of memory in use. ENERGY: 2572400 3981.7284 20535.5263 14445.4807 237.5286 -203277.9825 2738.7997 0.0000 0.0000 51931.4202 -109407.4985 298.4506 -161338.9187 -109040.3256 298.8222 -69.7053 -41.3879 761742.6974 18.0580 18.0265 PRESSURE: 2572600 -129.037 112.407 141.33 112.406 -153.377 -70.2334 141.33 -70.2323 -107.246 GPRESSURE: 2572600 -74.5049 50.3632 191.207 221.927 -115.5 -96.7872 27.2396 -52.8331 -131.321 PRESSAVG: 2572600 -14.1436 34.3864 -64.0797 34.3864 1.05153 10.9179 -64.0797 10.9179 -4.6573 GPRESSAVG: 2572600 -11.4225 33.5033 -63.9984 34.0775 -2.00774 8.50647 -63.806 12.7025 -4.44289 TIMING: 2572600 CPU: 8034.5, 0.00313964/step Wall: 8034.5, 0.00313964/step, 2.11699 hours remaining, 235.535156 MB of memory in use. ENERGY: 2572600 3982.6675 20531.3292 14435.4758 245.6305 -203100.6740 2642.7156 0.0000 0.0000 52072.7440 -109190.1115 299.2628 -161262.8555 -108833.8489 298.8974 -129.8865 -107.1087 762353.1290 -5.9164 -5.9577 PRESSURE: 2572800 -252.479 117.596 -10.7382 117.597 218.196 -123.216 -10.7388 -123.217 -337.311 GPRESSURE: 2572800 -239.642 216.243 -18.2425 -0.751292 284.742 -36.274 112.978 -153.622 -311.93 PRESSAVG: 2572800 -15.0117 60.125 -23.9152 60.125 28.4145 27.2221 -23.9153 27.2221 -3.47504 GPRESSAVG: 2572800 -14.4932 60.0797 -24.2991 60.2195 28.6788 29.1425 -24.8951 26.3311 -3.80147 TIMING: 2572800 CPU: 8035.12, 0.00311103/step Wall: 8035.12, 0.00311103/step, 2.09752 hours remaining, 235.535156 MB of memory in use. ENERGY: 2572800 3914.9028 20441.1190 14496.6591 242.6999 -203171.5648 2604.3808 0.0000 0.0000 52188.2075 -109283.5957 299.9263 -161471.8031 -108924.7315 299.5995 -123.8646 -88.9436 761624.1742 3.3093 3.4614 PRESSURE: 2573000 287.933 -206.738 128.209 -206.738 -262.419 -27.2159 128.209 -27.2163 43.8485 GPRESSURE: 2573000 311.116 -136.224 131.048 -139.487 -171.832 -18.2004 146.657 81.4963 15.8146 PRESSAVG: 2573000 -2.90754 11.8577 -27.652 11.8577 -40.1969 -11.7805 -27.6521 -11.7805 -0.906947 GPRESSAVG: 2573000 -3.94924 11.9503 -28.3274 13.6009 -39.3031 -12.0797 -26.2918 -10.9261 -0.306985 TIMING: 2573000 CPU: 8035.75, 0.00312471/step Wall: 8035.75, 0.00312471/step, 2.10657 hours remaining, 235.535156 MB of memory in use. ENERGY: 2573000 3942.3085 20590.9265 14571.0666 246.5298 -203393.1550 2686.6734 0.0000 0.0000 52179.9518 -109175.6984 299.8789 -161355.6503 -108809.6362 299.1677 23.1208 51.6997 762385.4752 -14.6705 -14.5198 PRESSURE: 2573200 63.6605 -179.27 17.9975 -179.27 158.612 -101.886 17.9978 -101.886 -102.253 GPRESSURE: 2573200 13.7973 -120.295 20.6222 -225.4 247.863 -159.48 99.7249 -142.306 -58.9884 PRESSAVG: 2573200 -27.594 -59.4925 -7.26874 -59.4924 20.652 8.56651 -7.2687 8.56659 22.9265 GPRESSAVG: 2573200 -26.2812 -58.0239 -7.63401 -60.4854 20.599 9.08637 -8.13815 7.55612 22.1202 TIMING: 2573200 CPU: 8036.37, 0.00310382/step Wall: 8036.37, 0.00310382/step, 2.09232 hours remaining, 235.535156 MB of memory in use. ENERGY: 2573200 4004.9926 20370.7589 14410.9254 233.6897 -203478.6028 2903.3477 0.0000 0.0000 52279.6089 -109275.2799 300.4516 -161554.8887 -108908.6511 298.7940 40.0065 67.5573 761465.4261 5.3282 5.4793 PRESSURE: 2573400 -152.484 -22.5598 39.7608 -22.5601 -198.874 116.315 39.7602 116.315 -119.614 GPRESSURE: 2573400 -68.1579 -16.8197 85.8165 -64.7917 -138.159 64.7327 17.6865 31.8281 -179.126 PRESSAVG: 2573400 -5.01535 -34.6135 -20.8729 -34.6135 -18.5615 -9.3615 -20.8728 -9.36151 39.5041 GPRESSAVG: 2573400 -5.4213 -35.3141 -20.0961 -33.6254 -19.1831 -9.9455 -19.9758 -10.502 40.7069 TIMING: 2573400 CPU: 8036.99, 0.00310515/step Wall: 8036.99, 0.00310515/step, 2.09305 hours remaining, 235.535156 MB of memory in use. ENERGY: 2573400 4104.8050 20642.7375 14460.9203 234.3113 -203354.0130 2729.7790 0.0000 0.0000 51993.3729 -109188.0870 298.8066 -161181.4599 -108833.1193 299.6971 -156.9907 -128.4809 763847.3945 5.3091 5.3675 PRESSURE: 2573600 -245.727 115.439 -25.8488 115.439 -26.201 -29.5179 -25.8485 -29.5179 -171.862 GPRESSURE: 2573600 -206.793 213.341 39.999 58.7691 59.1214 -48.3656 -41.8592 126.541 -196.837 PRESSAVG: 2573600 1.0753 40.2838 -24.3744 40.2837 -23.2816 -11.2438 -24.3743 -11.2438 0.331149 GPRESSAVG: 2573600 1.35913 40.5877 -26.0526 40.5897 -22.4595 -10.2934 -23.3282 -9.80138 -0.762098 TIMING: 2573600 CPU: 8037.61, 0.00310104/step Wall: 8037.61, 0.00310105/step, 2.0901 hours remaining, 235.535156 MB of memory in use. ENERGY: 2573600 4009.6141 20577.2873 14528.1665 235.6408 -203570.3808 2854.6661 0.0000 0.0000 52222.1224 -109142.8835 300.1213 -161365.0060 -108764.0265 299.2948 -147.9300 -114.8361 764022.8355 -7.2917 -7.2875 PRESSURE: 2573800 -14.4169 -3.63694 26.5761 -3.63621 -22.2021 -59.0291 26.5773 -59.0282 225.223 GPRESSURE: 2573800 103.314 -74.5401 21.8714 -15.079 -21.6792 -26.075 151.673 23.068 187.763 PRESSAVG: 2573800 -3.43125 16.4558 25.1735 16.4557 -8.98603 8.18715 25.1736 8.18719 16.0186 GPRESSAVG: 2573800 -3.51824 13.3737 27.0336 17.1922 -8.71891 7.59235 25.5446 9.13406 16.2439 TIMING: 2573800 CPU: 8038.23, 0.00309756/step Wall: 8038.23, 0.00309756/step, 2.08758 hours remaining, 235.535156 MB of memory in use. ENERGY: 2573800 3937.2950 20558.0114 14487.5313 237.7624 -203240.1225 2795.7921 0.0000 0.0000 52210.2163 -109013.5140 300.0528 -161223.7303 -108643.1434 299.9053 62.8681 89.7994 766267.1121 1.2004 1.3356 PRESSURE: 2574000 -19.3489 -27.4875 -91.6429 -27.4883 -290.27 -75.7682 -91.6435 -75.7682 -175.963 GPRESSURE: 2574000 -63.2104 51.9295 -43.741 15.0832 -224.722 -114.694 -81.4089 -165.193 -111.093 PRESSAVG: 2574000 24.7087 20.7249 21.6416 20.725 -5.61023 -10.8884 21.6416 -10.8884 -12.6609 GPRESSAVG: 2574000 24.5943 23.7172 20.9148 21.3485 -5.64343 -12.2344 21.2409 -13.8997 -12.7594 TIMING: 2574000 CPU: 8038.85, 0.0031104/step Wall: 8038.85, 0.00311039/step, 2.09606 hours remaining, 235.535156 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: 2574000 3933.0413 20433.8225 14498.7665 264.6576 -203303.2198 2840.9935 0.0000 0.0000 52197.9055 -109134.0329 299.9821 -161331.9384 -108760.3555 299.3623 -161.8606 -133.0085 765596.3123 2.1459 2.0638 PRESSURE: 2574200 -140.3 -21.2235 198.802 -21.2235 -465.176 147.76 198.803 147.76 -39.7382 GPRESSURE: 2574200 -123.07 -22.0238 117.662 -6.43727 -378.34 134.933 -24.9044 146.934 -29.8396 PRESSAVG: 2574200 -33.4038 -10.8288 -7.74883 -10.8288 -4.97639 -0.861231 -7.74878 -0.861218 11.4429 GPRESSAVG: 2574200 -34.199 -10.8048 -8.5952 -13.8544 -5.2727 -0.925048 -10.0174 0.295152 12.54 TIMING: 2574200 CPU: 8039.48, 0.00312183/step Wall: 8039.48, 0.00312183/step, 2.10359 hours remaining, 235.535156 MB of memory in use. ENERGY: 2574200 3913.9379 20628.5240 14469.5737 235.4587 -202808.1610 2413.5259 0.0000 0.0000 52153.2873 -108993.8535 299.7257 -161147.1408 -108630.9207 299.4998 -215.0713 -177.0831 764814.3869 -8.9791 -8.9772 PRESSURE: 2574400 117.865 191.779 -218.153 191.779 93.1302 122.58 -218.153 122.58 -112.477 GPRESSURE: 2574400 82.5908 214.82 -158.033 88.3585 184.162 150.499 -98.7938 213.203 -75.3447 PRESSAVG: 2574400 2.45172 -7.92293 -73.8125 -7.92299 13.6079 8.77228 -73.8125 8.77224 1.04425 GPRESSAVG: 2574400 1.67709 -10.2832 -74.3145 -7.85152 14.2243 8.02011 -73.2092 12.5442 0.705184 TIMING: 2574400 CPU: 8040.1, 0.00310678/step Wall: 8040.1, 0.00310678/step, 2.09328 hours remaining, 235.535156 MB of memory in use. ENERGY: 2574400 4010.0399 20663.2694 14502.7591 267.7678 -203168.5523 2686.6805 0.0000 0.0000 51935.3470 -109102.6886 298.4732 -161038.0356 -108738.8733 299.6799 32.8396 63.8026 764833.7833 5.7013 5.5355 PRESSURE: 2574600 456.056 347.51 -171.197 347.511 -18.4584 -53.2031 -171.197 -53.203 126.034 GPRESSURE: 2574600 568.97 249.3 -201.555 248.129 -12.8398 -9.92109 -80.0121 -64.096 78.7297 PRESSAVG: 2574600 76.4143 -6.29812 18.1257 -6.2981 -47.8387 59.5273 18.1257 59.5272 -12.3257 GPRESSAVG: 2574600 77.1995 -5.25614 18.4288 -3.92606 -48.3257 60.3022 20.6086 56.1187 -12.3375 TIMING: 2574600 CPU: 8040.72, 0.00310565/step Wall: 8040.72, 0.00310565/step, 2.09234 hours remaining, 235.535156 MB of memory in use. ENERGY: 2574600 3998.0515 20512.7700 14518.3014 255.5310 -203473.3141 2980.6650 0.0000 0.0000 51945.3023 -109262.6928 298.5304 -161207.9952 -108905.0119 299.3497 187.8770 211.6201 763933.1601 5.4166 5.5121 PRESSURE: 2574800 271.009 4.77758 32.4424 4.77754 -141.051 173.74 32.4423 173.741 10.2451 GPRESSURE: 2574800 270.677 -78.2312 -16.5532 44.873 -106.083 190.921 -47.884 57.9376 64.624 PRESSAVG: 2574800 79.7201 -0.0118351 -17.2036 -0.011854 -115.721 7.72576 -17.2036 7.72576 21.2079 GPRESSAVG: 2574800 81.2804 0.0897136 -17.2812 -0.681007 -116.164 5.55615 -17.7176 10.4179 19.9174 TIMING: 2574800 CPU: 8041.34, 0.00310433/step Wall: 8041.34, 0.00310433/step, 2.09129 hours remaining, 235.535156 MB of memory in use. ENERGY: 2574800 4007.7856 20645.2923 14426.5662 234.8569 -203485.6165 2794.9100 0.0000 0.0000 52023.2895 -109352.9160 298.9786 -161376.2055 -108995.6345 298.9314 46.7342 76.4061 763192.5901 -4.9309 -4.9886 PRESSURE: 2575000 -27.6812 -42.3593 1.93032 -42.3595 -235.606 -237.821 1.92994 -237.822 -34.2095 GPRESSURE: 2575000 22.8658 -74.6704 67.8448 -94.4988 -247.93 -162.543 27.1504 -388.661 -8.69926 PRESSAVG: 2575000 2.33524 -6.69554 -25.0442 -6.69561 5.29747 -66.8353 -25.0442 -66.8353 6.87956 GPRESSAVG: 2575000 0.36722 -6.25863 -24.0188 -7.23405 5.812 -63.2605 -24.5642 -70.2784 8.0014 TIMING: 2575000 CPU: 8041.96, 0.00312257/step Wall: 8041.96, 0.00312257/step, 2.1034 hours remaining, 235.535156 MB of memory in use. ENERGY: 2575000 3981.8770 20562.1491 14380.5939 262.5289 -203297.3437 2588.6709 0.0000 0.0000 52002.5984 -109518.9255 298.8596 -161521.5239 -109153.8215 298.4907 -99.1657 -77.9212 763005.8503 4.8374 4.7269 PRESSURE: 2575200 -166.773 271.543 -32.5469 271.544 -496.515 5.15527 -32.5474 5.15587 -107.257 GPRESSURE: 2575200 -179.662 308.333 -83.3197 135.669 -433.734 100.317 -59.1077 -6.36195 -82.9738 PRESSAVG: 2575200 54.2381 11.3467 -12.1554 11.3468 -92.2301 -10.8117 -12.1554 -10.8116 6.10773 GPRESSAVG: 2575200 54.3191 11.2562 -12.5751 8.48965 -91.7698 -10.8922 -14.101 -10.9527 5.5248 TIMING: 2575200 CPU: 8042.58, 0.00310552/step Wall: 8042.58, 0.00310552/step, 2.09174 hours remaining, 235.535156 MB of memory in use. ENERGY: 2575200 4012.0416 20644.5587 14503.3128 266.3596 -203551.5018 2740.9159 0.0000 0.0000 52167.3201 -109216.9932 299.8063 -161384.3133 -108867.9512 299.1182 -256.8484 -232.1233 762651.0694 -10.6281 -10.6420 PRESSURE: 2575400 -88.6247 175.477 128.976 175.478 -353.555 -155.144 128.977 -155.145 -87.478 GPRESSURE: 2575400 -69.3372 47.6256 138.108 195.075 -265.911 -41.683 41.3699 -188.777 -123.998 PRESSAVG: 2575400 72.1431 -1.77077 -18.9743 -1.77078 -51.7342 5.113 -18.9742 5.11306 -0.0949687 GPRESSAVG: 2575400 74.5591 -2.78191 -17.8452 -1.18031 -54.3224 4.574 -18.0438 7.43781 -0.449628 TIMING: 2575400 CPU: 8043.21, 0.00311019/step Wall: 8043.21, 0.00311019/step, 2.09471 hours remaining, 235.535156 MB of memory in use. ENERGY: 2575400 4050.1452 20661.9749 14419.9613 250.2631 -203421.4220 2716.7974 0.0000 0.0000 52120.5279 -109201.7521 299.5374 -161322.2800 -108836.9575 299.7000 -176.5527 -153.0823 760172.3631 6.7713 6.5957 PRESSURE: 2575600 -84.76 159.879 115.935 159.879 -65.1469 103.633 115.935 103.633 -394.685 GPRESSURE: 2575600 -31.0722 230.126 101.11 113.04 12.1284 10.3348 124.672 70.9484 -446.675 PRESSAVG: 2575600 14.4746 19.7349 -34.9193 19.735 31.9102 2.83826 -34.9193 2.83825 -0.515228 GPRESSAVG: 2575600 12.1575 20.6006 -35.6024 17.995 32.7388 3.26862 -34.9014 0.695762 0.439394 TIMING: 2575600 CPU: 8043.83, 0.00311601/step Wall: 8043.83, 0.003116/step, 2.09846 hours remaining, 235.535156 MB of memory in use. ENERGY: 2575600 4027.0211 20500.2107 14481.0516 259.3943 -203407.5674 2735.4875 0.0000 0.0000 52049.4250 -109354.9771 299.1288 -161404.4021 -108980.7056 299.9971 -181.5306 -155.2062 761731.3288 15.2899 15.1119 PRESSURE: 2575800 -81.1038 180.551 150.863 180.551 -24.4119 -67.3566 150.863 -67.3581 -302.129 GPRESSURE: 2575800 -72.1506 69.2763 220.791 250.812 1.13891 -12.9617 -12.1346 -127.292 -239.143 PRESSAVG: 2575800 17.7762 11.0769 -31.2386 11.0769 14.3509 -17.9414 -31.2386 -17.9415 -20.4462 GPRESSAVG: 2575800 16.701 8.51719 -30.2102 16.3488 15.2996 -17.5845 -31.3557 -18.9299 -20.2341 TIMING: 2575800 CPU: 8044.45, 0.00312336/step Wall: 8044.45, 0.00312336/step, 2.10324 hours remaining, 235.535156 MB of memory in use. ENERGY: 2575800 4018.6619 20755.6679 14446.0930 226.5974 -203428.8103 2619.6206 0.0000 0.0000 52113.1500 -109249.0195 299.4950 -161362.1695 -108881.3806 300.0517 -135.8815 -103.3849 761636.0658 3.8936 3.9221 PRESSURE: 2576000 184.114 90.5568 -201.506 90.5567 -26.3911 86.8516 -201.506 86.8522 121.36 GPRESSURE: 2576000 140.33 61.924 -127.239 236.145 77.1332 95.3378 -163.711 87.1498 137.979 PRESSAVG: 2576000 -21.4574 -24.5788 -68.4304 -24.5788 38.5403 12.5182 -68.4305 12.5181 -4.59087 GPRESSAVG: 2576000 -21.6341 -21.9246 -68.0932 -27.5243 38.8518 11.5248 -70.0828 14.6625 -4.94905 TIMING: 2576000 CPU: 8045.08, 0.00312048/step Wall: 8045.08, 0.00312048/step, 2.10112 hours remaining, 235.535156 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: 2576000 3940.7043 20548.2018 14485.3046 237.8030 -203441.5165 2871.9220 0.0000 0.0000 52170.1800 -109187.4009 299.8227 -161357.5809 -108824.1887 299.8284 93.0277 118.4808 761446.5001 4.1640 4.0896 PRESSURE: 2576200 191.119 19.2636 -118.519 19.2638 -32.5706 27.0788 -118.52 27.0789 -203.36 GPRESSURE: 2576200 190.375 36.3117 -147.427 19.3974 27.1913 81.0447 30.0264 -37.9113 -175.139 PRESSAVG: 2576200 -74.3987 47.5157 17.596 47.5157 53.1381 56.6648 17.596 56.6647 0.516892 GPRESSAVG: 2576200 -73.6729 47.6108 15.2327 47.2672 52.048 56.3703 20.1973 58.1657 0.770937 TIMING: 2576200 CPU: 8045.7, 0.00311317/step Wall: 8045.7, 0.00311317/step, 2.09603 hours remaining, 235.535156 MB of memory in use. ENERGY: 2576200 3902.3455 20541.2233 14470.1657 237.8477 -203263.6935 2517.0763 0.0000 0.0000 52096.4105 -109498.6244 299.3988 -161595.0349 -109131.6355 299.3834 -14.9373 14.1424 762188.0857 -6.9146 -6.9513 LDB: ============= START OF LOAD BALANCING ============== 8058.18 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8058.18 LDB: =============== DONE WITH MIGRATION ================ 8058.18 LDB: ============= START OF LOAD BALANCING ============== 8058.49 LDB: Largest compute 7064 load 0.030759 is 15.8% of average load 0.195206 LDB: Average compute 0.004401 is 2.3% of average load 0.195206 LDB: TIME 8058.5 LOAD: AVG 0.195206 MAX 0.216256 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.824 MB LDB: TIME 8058.5 LOAD: AVG 0.195206 MAX 0.216256 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.918 MB LDB: TIME 8058.5 LOAD: AVG 0.195206 MAX 0.216256 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.918 MB LDB: ============== END OF LOAD BALANCING =============== 8058.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8058.5 PRESSURE: 2576400 113.408 -50.514 -114.426 -50.513 -222.538 176.048 -114.426 176.047 263.072 GPRESSURE: 2576400 127.893 -39.4592 -75.4817 -140.13 -160.416 166.988 -255.905 148.139 253.19 PRESSAVG: 2576400 6.68086 -19.6827 12.0683 -19.6826 1.10932 8.79264 12.0684 8.79259 -15.5503 GPRESSAVG: 2576400 6.56484 -21.5813 12.2732 -17.4924 1.79666 8.61435 11.2897 7.88167 -15.9006 TIMING: 2576400 CPU: 8046.34, 0.00317902/step Wall: 8046.34, 0.00317902/step, 2.14019 hours remaining, 235.023438 MB of memory in use. ENERGY: 2576400 3930.3609 20560.7083 14452.4245 251.6931 -203766.5948 2841.3265 0.0000 0.0000 52029.6357 -109700.4457 299.0150 -161730.0814 -109316.7564 298.2458 51.3139 73.5555 761053.1125 -2.5867 -2.5130 PRESSURE: 2576600 243.522 -4.47327 -12.1117 -4.47347 19.3933 -170.56 -12.1116 -170.56 -76.6492 GPRESSURE: 2576600 330.74 -10.6657 108.956 3.3454 -2.09735 -162.053 -142.959 -258.076 -72.4935 PRESSAVG: 2576600 21.7273 1.95154 -48.6721 1.95164 15.4543 15.9706 -48.6721 15.9706 -8.00572 GPRESSAVG: 2576600 22.5543 4.87207 -46.7349 -0.632652 15.1897 15.7896 -49.923 15.7363 -8.59432 TIMING: 2576600 CPU: 8046.96, 0.00311502/step Wall: 8046.96, 0.00311502/step, 2.09693 hours remaining, 235.023438 MB of memory in use. ENERGY: 2576600 3939.2145 20420.8475 14432.3649 241.4376 -202927.8856 2412.1972 0.0000 0.0000 51855.8029 -109626.0211 298.0160 -161481.8240 -109266.1944 298.4202 62.0887 85.3832 761535.6736 9.7253 9.7166 PRESSURE: 2576800 81.4462 10.2204 -119.319 10.2202 -193.86 3.87454 -119.319 3.87411 -188.342 GPRESSURE: 2576800 181.473 -61.5994 -204.995 -92.7491 -218.32 42.345 9.40229 50.5817 -195.514 PRESSAVG: 2576800 -7.83339 -13.723 -32.9622 -13.723 -1.45092 -30.7644 -32.9622 -30.7643 -3.51836 GPRESSAVG: 2576800 -8.70353 -13.6384 -33.3266 -14.0521 -0.110896 -31.1632 -32.1145 -29.2435 -3.62744 TIMING: 2576800 CPU: 8047.58, 0.00310964/step Wall: 8047.58, 0.00310964/step, 2.09313 hours remaining, 235.023438 MB of memory in use. ENERGY: 2576800 4064.5814 20425.9821 14467.9457 214.7911 -203242.7746 2639.1103 0.0000 0.0000 52021.4060 -109408.9579 298.9677 -161430.3640 -109055.0143 298.4120 -100.2519 -77.4538 762560.4538 -4.2676 -4.1473 PRESSURE: 2577000 -122.558 193.061 36.2172 193.061 150.472 -15.7058 36.2166 -15.7054 -79.6317 GPRESSURE: 2577000 -98.0118 151.634 -6.77925 200.045 164.413 -42.0972 51.0013 -83.2589 -18.3915 PRESSAVG: 2577000 -35.8491 -26.3988 -59.7009 -26.3987 36.1102 -21.496 -59.701 -21.496 19.4484 GPRESSAVG: 2577000 -35.1111 -27.2979 -59.2664 -23.8565 35.5854 -20.4994 -57.3042 -23.6345 18.9338 TIMING: 2577000 CPU: 8048.21, 0.00312652/step Wall: 8048.21, 0.00312652/step, 2.10432 hours remaining, 235.023438 MB of memory in use. ENERGY: 2577000 3920.9216 20550.3497 14430.8940 256.1219 -203546.9541 2703.8382 0.0000 0.0000 51977.9777 -109706.8511 298.7182 -161684.8288 -109353.5180 298.5998 -17.2391 16.0033 761295.7096 6.5698 6.4693 PRESSURE: 2577200 -34.384 -271.292 -135.53 -271.292 -35.9786 163.624 -135.529 163.624 -262.787 GPRESSURE: 2577200 6.71738 -316.19 -153.256 -385.79 -80.0322 254.341 -246.495 81.144 -187.691 PRESSAVG: 2577200 -70.6292 0.666037 -44.6836 0.665994 78.3487 7.68452 -44.6836 7.68447 15.8547 GPRESSAVG: 2577200 -71.4056 2.14767 -46.3429 -2.88916 77.4651 8.81104 -44.3102 8.52432 17.3792 TIMING: 2577200 CPU: 8048.83, 0.00311427/step Wall: 8048.83, 0.00311427/step, 2.0959 hours remaining, 235.023438 MB of memory in use. ENERGY: 2577200 4017.0168 20467.5065 14396.7172 240.6392 -203399.8787 2658.9644 0.0000 0.0000 51903.5968 -109715.4377 298.2907 -161619.0345 -109357.0341 297.6394 -111.0498 -87.0019 762837.5174 7.8581 7.8129 PRESSURE: 2577400 -260.198 38.0449 -16.8443 38.0447 216.129 219.713 -16.8435 219.712 -239.889 GPRESSURE: 2577400 -124.601 -56.5633 95.6371 77.8913 241.496 88.5622 -6.43482 100.851 -307.603 PRESSAVG: 2577400 8.60889 -47.1395 -32.9437 -47.1395 -8.31541 -2.21115 -32.9437 -2.21119 27.343 GPRESSAVG: 2577400 9.57794 -50.4307 -33.1584 -44.327 -7.14934 -4.22263 -34.366 -2.25255 25.6431 TIMING: 2577400 CPU: 8049.45, 0.00310344/step Wall: 8049.45, 0.00310344/step, 2.08844 hours remaining, 235.023438 MB of memory in use. ENERGY: 2577400 4093.4110 20300.6454 14468.7986 229.1118 -204058.2578 3215.7321 0.0000 0.0000 51959.1420 -109791.4169 298.6099 -161750.5589 -109429.4175 298.0264 -94.6523 -63.5693 762504.6344 9.2122 9.3572 PRESSURE: 2577600 -302.559 -245.071 99.1827 -245.072 -201.88 -97.8026 99.1823 -97.8028 -243.021 GPRESSURE: 2577600 -352.46 -193.023 140.451 -145.071 -122.264 -78.7219 127.02 28.7279 -194.851 PRESSAVG: 2577600 -6.79396 56.7088 7.25161 56.7089 47.3848 -71.1244 7.25169 -71.1244 -5.94976 GPRESSAVG: 2577600 -7.67956 58.6453 7.83565 56.7685 47.2061 -70.2772 8.7931 -70.9923 -5.15772 TIMING: 2577600 CPU: 8050.08, 0.00315099/step Wall: 8050.08, 0.00315099/step, 2.12026 hours remaining, 235.148438 MB of memory in use. ENERGY: 2577600 4014.0743 20597.0013 14484.4044 233.9395 -203216.2957 2388.4987 0.0000 0.0000 51770.5393 -109727.8382 297.5260 -161498.3775 -109373.3240 298.3528 -249.1535 -223.1919 761915.8967 11.5470 11.4563 PRESSURE: 2577800 -105.165 -151.827 178.744 -151.827 -308.962 -53.5355 178.744 -53.5353 84.3779 GPRESSURE: 2577800 -86.7751 -231.515 176.324 -149.458 -242.834 7.94696 60.0368 -140.35 49.7431 PRESSAVG: 2577800 -4.55297 -22.7319 1.35284 -22.7319 -2.07175 -21.0734 1.35284 -21.0735 -7.78791 GPRESSAVG: 2577800 -3.52339 -22.4361 1.5349 -24.0209 -3.97212 -20.2105 0.0506373 -22.2461 -6.76394 TIMING: 2577800 CPU: 8050.71, 0.00314046/step Wall: 8050.71, 0.00314046/step, 2.11301 hours remaining, 235.148438 MB of memory in use. ENERGY: 2577800 4020.7624 20414.8679 14503.2958 250.6390 -203345.7817 2787.0835 0.0000 0.0000 51770.2675 -109598.8656 297.5244 -161369.1331 -109242.2198 298.5727 -109.9164 -93.2887 762730.0795 -4.8042 -4.7532 PRESSURE: 2578000 -202.414 -150.46 -32.5512 -150.46 -172.16 -184.474 -32.551 -184.475 -109.721 GPRESSURE: 2578000 -94.2275 -133.748 11.2383 -200.997 -189.28 -96.6567 -44.4932 -95.4919 -124.873 PRESSAVG: 2578000 0.917546 -67.6805 44.8995 -67.6806 -0.384301 -9.47752 44.8994 -9.47742 12.8838 GPRESSAVG: 2578000 0.208081 -68.542 41.646 -66.255 0.520621 -10.5166 45.2636 -9.29866 12.0728 TIMING: 2578000 CPU: 8051.34, 0.00313128/step Wall: 8051.34, 0.00313128/step, 2.10666 hours remaining, 235.148438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2578000 3929.5489 20398.0362 14492.8760 249.7136 -203137.9073 2745.0238 0.0000 0.0000 51677.5569 -109645.1517 296.9916 -161322.7086 -109291.5606 298.0299 -161.4315 -136.1267 761138.0441 4.4723 4.2672 PRESSURE: 2578200 -449.234 153.576 -135.219 153.577 -40.851 178.325 -135.22 178.325 -218.764 GPRESSURE: 2578200 -465.914 117.022 -219.307 106.043 -62.1598 246.874 -154.008 91.2819 -104.516 PRESSAVG: 2578200 -5.79021 -28.1926 -86.3162 -28.1927 -1.28009 -37.2441 -86.3162 -37.2441 -8.97823 GPRESSAVG: 2578200 -5.1938 -29.0359 -83.6549 -29.3365 -1.87469 -37.4264 -88.2285 -36.4168 -8.67149 TIMING: 2578200 CPU: 8051.96, 0.00310937/step Wall: 8051.96, 0.00310937/step, 2.09174 hours remaining, 235.148438 MB of memory in use. ENERGY: 2578200 4055.0195 20410.9416 14490.3300 244.1861 -203260.9747 2627.4127 0.0000 0.0000 51969.5817 -109463.5031 298.6699 -161433.0848 -109106.7285 298.0786 -236.2829 -210.8630 762588.9443 -5.3495 -5.2467 PRESSURE: 2578400 105.154 -93.1842 -305.341 -93.1849 -281.379 107.198 -305.34 107.196 -7.62292 GPRESSURE: 2578400 129.786 -108.689 -254.685 -58.9042 -190.49 132.014 -314.874 46.4726 -47.5873 PRESSAVG: 2578400 -41.2309 -41.6646 -25.667 -41.6646 2.82419 -6.29953 -25.6669 -6.29958 5.75389 GPRESSAVG: 2578400 -41.4968 -40.1629 -25.674 -41.8728 3.30689 -6.97988 -25.2039 -5.88886 5.88125 TIMING: 2578400 CPU: 8052.58, 0.00312349/step Wall: 8052.58, 0.00312349/step, 2.10107 hours remaining, 235.148438 MB of memory in use. ENERGY: 2578400 3949.5564 20475.7702 14454.2173 244.9432 -203440.5246 2896.7241 0.0000 0.0000 52016.5554 -109402.7581 298.9399 -161419.3135 -109047.3242 298.7004 -61.2829 -36.0974 760867.7159 -10.8843 -10.7696 PRESSURE: 2578600 26.4868 -87.3762 87.9543 -87.3759 302.273 53.4387 87.954 53.4372 221.974 GPRESSURE: 2578600 173.163 -120.019 32.0622 -262.958 171.686 114.999 -92.6934 1.05688 278.741 PRESSAVG: 2578600 30.0009 16.4539 20.6185 16.4538 -24.9746 45.3064 20.6184 45.3064 3.52154 GPRESSAVG: 2578600 30.4404 16.5494 21.4613 14.7972 -25.5147 46.256 19.9964 44.2934 3.71416 TIMING: 2578600 CPU: 8053.21, 0.00314819/step Wall: 8053.21, 0.00314819/step, 2.11751 hours remaining, 235.148438 MB of memory in use. ENERGY: 2578600 3918.7001 20388.6540 14422.0819 250.0859 -203048.1070 2608.2604 0.0000 0.0000 51883.8401 -109576.4847 298.1771 -161460.3248 -109201.8124 298.2606 183.5777 207.8635 760607.2721 2.8493 2.8800 PRESSURE: 2578800 -155.117 -174.595 -187.085 -174.595 -164.284 224.935 -187.085 224.935 302.324 GPRESSURE: 2578800 -133.63 -176.499 -205.559 -100.005 -97.4231 212.384 -146.519 253.762 300.71 PRESSAVG: 2578800 16.2436 -18.5103 -15.2649 -18.5103 -15.7711 9.26856 -15.2649 9.26847 -6.92638 GPRESSAVG: 2578800 16.1685 -17.9667 -14.8364 -17.6834 -14.8418 9.06918 -18.5482 10.1463 -7.13996 TIMING: 2578800 CPU: 8053.84, 0.00312996/step Wall: 8053.84, 0.00312996/step, 2.10507 hours remaining, 235.148438 MB of memory in use. ENERGY: 2578800 3993.6389 20434.1005 14468.7194 254.6095 -203540.8908 2868.7934 0.0000 0.0000 52085.9002 -109435.1291 299.3384 -161521.0292 -109065.3991 298.4944 -5.6922 23.2191 761693.9898 -2.1513 -1.9378 PRESSURE: 2579000 -219.312 240.3 65.0164 240.302 151.595 266.164 65.0168 266.164 186.917 GPRESSURE: 2579000 -198.781 201.773 -53.8419 212.753 238.968 171.149 43.1031 241.673 139.854 PRESSAVG: 2579000 15.5627 -6.47043 -14.1337 -6.47042 7.32254 37.9616 -14.1337 37.9615 4.05494 GPRESSAVG: 2579000 15.2808 -7.67538 -14.1565 -6.22552 7.55931 37.6577 -11.5731 38.4055 3.79168 TIMING: 2579000 CPU: 8054.47, 0.00314188/step Wall: 8054.47, 0.00314188/step, 2.11291 hours remaining, 235.148438 MB of memory in use. ENERGY: 2579000 3955.2272 20382.2622 14490.4695 244.6885 -203206.7001 2664.8147 0.0000 0.0000 52021.6651 -109447.5729 298.9692 -161469.2380 -109080.8963 298.3857 39.7332 60.0138 762632.3653 8.9800 8.8773 PRESSURE: 2579200 318.002 52.22 94.1854 52.2201 427.986 107.571 94.1856 107.571 113.361 GPRESSURE: 2579200 388.954 -4.30388 73.0288 -18.0268 378.345 66.7004 135.155 162.942 151.023 PRESSAVG: 2579200 19.0225 -15.8506 -23.8731 -15.8506 -39.1873 6.82582 -23.8731 6.82578 15.4096 GPRESSAVG: 2579200 18.5412 -17.1555 -25.9294 -14.15 -39.2765 7.62393 -20.3408 6.71215 16.0087 TIMING: 2579200 CPU: 8055.09, 0.00314028/step Wall: 8055.09, 0.00314028/step, 2.11166 hours remaining, 235.148438 MB of memory in use. ENERGY: 2579200 3902.8123 20398.6720 14526.7683 258.7675 -203462.4875 3014.8076 0.0000 0.0000 51831.1556 -109529.5043 297.8744 -161360.6599 -109175.7043 298.3195 286.4497 306.1072 761407.7865 -1.5851 -1.5755 PRESSURE: 2579400 -99.7481 -45.6373 -73.593 -45.6368 -249.542 27.5879 -73.5922 27.5872 32.6846 GPRESSURE: 2579400 -76.7629 -76.4319 -2.6215 117.258 -179.035 62.2666 -150.024 50.7094 21.7022 PRESSAVG: 2579400 44.9122 -29.1281 1.44136 -29.128 -27.6765 -23.0226 1.44141 -23.0226 -4.44741 GPRESSAVG: 2579400 45.0896 -27.6379 2.85155 -28.996 -26.6157 -23.2385 0.537189 -22.437 -4.89635 TIMING: 2579400 CPU: 8055.71, 0.00309163/step Wall: 8055.71, 0.00309163/step, 2.07878 hours remaining, 235.148438 MB of memory in use. ENERGY: 2579400 4004.3107 20384.8203 14498.0363 255.6152 -203249.5422 2721.6161 0.0000 0.0000 51941.0199 -109444.1238 298.5058 -161385.1437 -109082.9925 298.4073 -105.5351 -78.0318 762366.6882 4.2628 4.5259 PRESSURE: 2579600 39.5657 75.0178 -294.729 75.018 241.453 49.9921 -294.729 49.9919 30.1985 GPRESSURE: 2579600 79.2301 93.9599 -285.838 -1.42514 164.918 88.6441 -249.86 22.5825 137.769 PRESSAVG: 2579600 32.8945 -2.89294 -35.9416 -2.89291 11.925 -4.90057 -35.9416 -4.90059 -3.85953 GPRESSAVG: 2579600 33.0864 -1.01009 -37.1373 -4.73758 10.752 -5.00577 -38.1973 -5.20832 -2.91811 TIMING: 2579600 CPU: 8056.33, 0.00310763/step Wall: 8056.33, 0.00310763/step, 2.08936 hours remaining, 235.148438 MB of memory in use. ENERGY: 2579600 3985.1922 20437.1097 14439.4297 267.2605 -203411.6826 2812.9298 0.0000 0.0000 52264.7441 -109205.0167 300.3662 -161469.7608 -108846.7308 299.0833 103.7392 127.3054 762505.2446 13.6533 13.6401 PRESSURE: 2579800 -2.94295 105.027 -244.659 105.028 -204.406 14.3715 -244.659 14.3727 -267.211 GPRESSURE: 2579800 39.0765 -9.58679 -204.605 86.2162 -210.881 54.9485 -219.52 -34.7921 -217.23 PRESSAVG: 2579800 15.1384 -18.4169 -21.9045 -18.4169 -33.6703 3.81321 -21.9045 3.81317 -1.4408 GPRESSAVG: 2579800 15.0583 -21.2004 -22.2356 -19.1213 -33.8159 4.05153 -19.1312 2.50008 -1.27886 TIMING: 2579800 CPU: 8056.95, 0.00309427/step Wall: 8056.95, 0.00309427/step, 2.08021 hours remaining, 235.148438 MB of memory in use. ENERGY: 2579800 4012.1496 20525.4654 14470.9162 244.4928 -203399.3979 2953.1351 0.0000 0.0000 51988.1824 -109205.0565 298.7768 -161193.2389 -108853.4046 299.0455 -158.1869 -129.6782 764101.1376 -6.6576 -6.6788 PRESSURE: 2580000 -14.7269 137.345 124.852 137.345 -455.549 77.9526 124.852 77.9524 -20.4448 GPRESSURE: 2580000 -33.7231 129.971 69.4846 144.993 -368.917 67.8409 100.826 134.11 -10.6447 PRESSAVG: 2580000 -3.3824 8.65247 -73.0893 8.6524 14.0939 -32.7125 -73.0892 -32.7126 -10.1782 GPRESSAVG: 2580000 -3.98113 9.67433 -72.6242 8.69055 15.1611 -30.8843 -73.9251 -32.791 -10.9118 TIMING: 2580000 CPU: 8057.57, 0.00310457/step Wall: 8057.57, 0.00310457/step, 2.08696 hours remaining, 235.148438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2580000 3925.3080 20515.1042 14498.9461 241.9466 -202634.1562 2420.3138 0.0000 0.0000 52075.7097 -108956.8278 299.2798 -161032.5375 -108580.5163 299.3634 -163.5735 -137.7615 763044.8488 0.1778 0.0894 PRESSURE: 2580200 23.1979 -78.0859 208.31 -78.0865 182.132 143.823 208.311 143.821 -60.1377 GPRESSURE: 2580200 73.0683 -89.5512 233.813 7.9603 174.05 59.3013 69.519 247.691 -31.1861 PRESSAVG: 2580200 -41.1257 -27.991 -68.6697 -27.991 42.8462 -37.1072 -68.6697 -37.1072 -13.1656 GPRESSAVG: 2580200 -41.5203 -26.1893 -68.6476 -27.0839 42.9125 -40.1038 -69.9593 -34.5314 -12.7673 TIMING: 2580200 CPU: 8058.2, 0.0031245/step Wall: 8058.2, 0.0031245/step, 2.10019 hours remaining, 235.148438 MB of memory in use. ENERGY: 2580200 4007.9568 20472.5367 14474.1686 249.4364 -202628.4346 2471.9611 0.0000 0.0000 51870.6520 -109081.7231 298.1014 -160952.3751 -108726.4901 298.9594 48.3975 71.9774 761674.1335 -3.8150 -3.7917 LDB: ============= START OF LOAD BALANCING ============== 8070.67 LDB: ============== END OF LOAD BALANCING =============== 8070.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8070.68 LDB: ============= START OF LOAD BALANCING ============== 8070.99 LDB: Largest compute 7042 load 0.029455 is 15.1% of average load 0.195138 LDB: Average compute 0.004408 is 2.3% of average load 0.195138 LDB: TIME 8070.99 LOAD: AVG 0.195138 MAX 0.214681 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.379 MB LDB: TIME 8070.99 LOAD: AVG 0.195138 MAX 0.214681 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.379 MB LDB: TIME 8070.99 LOAD: AVG 0.195138 MAX 0.214681 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.379 MB LDB: ============== END OF LOAD BALANCING =============== 8070.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8071 PRESSURE: 2580400 -143.606 222.258 9.04645 222.258 -198.184 -271.836 9.04728 -271.836 -56.2493 GPRESSURE: 2580400 -170.292 277.066 4.35682 75.9209 -62.6108 -267.743 9.80232 -206.574 -104.551 PRESSAVG: 2580400 -50.8813 -23.3309 -6.7892 -23.3309 63.5178 -30.0379 -6.78921 -30.0379 -4.34414 GPRESSAVG: 2580400 -49.1082 -23.6268 -5.81393 -25.3724 62.9623 -29.868 -7.06587 -30.4383 -4.80724 TIMING: 2580400 CPU: 8058.83, 0.00316086/step Wall: 8058.83, 0.00316086/step, 2.12445 hours remaining, 235.792969 MB of memory in use. ENERGY: 2580400 3982.8078 20578.7339 14468.7528 231.1553 -202742.0958 2432.4761 0.0000 0.0000 52119.7413 -108928.4286 299.5329 -161048.1699 -108557.0244 299.3608 -132.6795 -112.4846 763856.4952 2.7641 3.0156 PRESSURE: 2580600 71.1862 -147.336 -113.489 -147.337 -166.355 -66.0641 -113.488 -66.0637 294.996 GPRESSURE: 2580600 86.6744 -2.44355 -132.342 -181.336 -73.3565 18.0445 -44.4159 -125.044 264.832 PRESSAVG: 2580600 -20.1139 -87.6357 15.1085 -87.6357 9.46128 -42.2222 15.1085 -42.2222 3.88907 GPRESSAVG: 2580600 -19.9613 -88.9035 16.2193 -86.0438 9.21738 -39.6277 16.0962 -43.2345 3.98053 TIMING: 2580600 CPU: 8059.45, 0.00310456/step Wall: 8059.45, 0.00310456/step, 2.08643 hours remaining, 236.253906 MB of memory in use. ENERGY: 2580600 3983.4995 20529.3274 14514.6892 236.1856 -203288.2669 2895.2261 0.0000 0.0000 52114.3006 -109015.0386 299.5016 -161129.3391 -108649.6477 299.5748 66.6089 92.7165 763084.0662 -2.2545 -2.2545 PRESSURE: 2580800 -333.687 281.845 175.486 281.845 401.545 124.136 175.486 124.136 -53.7563 GPRESSURE: 2580800 -129.043 230.642 176.978 308.374 365.667 59.4022 129.993 125.188 -115.776 PRESSAVG: 2580800 -22.2565 20.6927 -8.78808 20.6927 26.2102 7.93976 -8.788 7.93974 8.99017 GPRESSAVG: 2580800 -22.7792 21.0855 -9.57655 20.9094 27.2212 6.31546 -8.34588 7.27256 8.8144 TIMING: 2580800 CPU: 8060.07, 0.00309253/step Wall: 8060.07, 0.00309253/step, 2.07818 hours remaining, 236.253906 MB of memory in use. ENERGY: 2580800 4020.6107 20703.7370 14514.9441 251.3265 -203127.7150 2635.7295 0.0000 0.0000 52212.7979 -108788.5693 300.0677 -161001.3672 -108424.2147 300.0807 4.7006 40.2827 764534.5186 4.3146 4.4188 PRESSURE: 2581000 33.5082 75.9042 -57.0452 75.9037 23.4574 -184.351 -57.0451 -184.351 -104.495 GPRESSURE: 2581000 20.6698 128.469 -174.479 -24.975 66.3051 -152.497 -29.8268 -112.591 -45.7764 PRESSAVG: 2581000 -1.74678 -24.5798 -31.4745 -24.5799 34.5768 17.5949 -31.4744 17.5949 -32.7353 GPRESSAVG: 2581000 -2.54624 -24.8272 -31.9099 -24.7255 33.4885 16.6552 -30.3674 19.8124 -31.7859 TIMING: 2581000 CPU: 8060.69, 0.00309783/step Wall: 8060.69, 0.00309783/step, 2.08157 hours remaining, 236.253906 MB of memory in use. ENERGY: 2581000 4061.8488 20710.7870 14552.1606 233.0319 -203051.7749 2588.9511 0.0000 0.0000 52019.4231 -108885.5724 298.9563 -160904.9955 -108531.1794 300.0013 -15.8431 13.7328 761470.0462 0.0316 -0.2812 PRESSURE: 2581200 -187.565 132.066 150.346 132.066 -28.4053 56.1098 150.347 56.1095 -241.648 GPRESSURE: 2581200 -117.877 173.158 289.283 103.178 -48.8578 35.2242 187.498 29.8638 -224.969 PRESSAVG: 2581200 -22.7853 -14.4202 61.6788 -14.4202 -9.01801 63.0121 61.6788 63.012 3.0027 GPRESSAVG: 2581200 -21.4619 -12.846 60.9972 -16.1911 -9.28728 61.8406 61.3312 60.4192 1.6723 TIMING: 2581200 CPU: 8061.31, 0.00310948/step Wall: 8061.31, 0.00310948/step, 2.08922 hours remaining, 236.253906 MB of memory in use. ENERGY: 2581200 4005.3270 20431.6465 14569.9145 253.6224 -203069.8548 2611.5486 0.0000 0.0000 52520.7978 -108676.9980 301.8377 -161197.7957 -108314.0781 299.9127 -152.5395 -130.5680 764743.7876 -9.6002 -9.6923 PRESSURE: 2581400 141.974 -15.632 148.201 -15.6317 53.5694 190.102 148.201 190.102 257.851 GPRESSURE: 2581400 239.146 87.8754 93.912 -89.08 30.4506 155.268 168.708 128.36 275.705 PRESSAVG: 2581400 -40.1594 -51.8743 -35.4005 -51.8743 32.2037 3.98378 -35.4005 3.98386 14.0484 GPRESSAVG: 2581400 -40.754 -52.6529 -33.9798 -50.4194 32.1941 5.981 -38.3857 5.12153 15.1126 TIMING: 2581400 CPU: 8061.94, 0.00312136/step Wall: 8061.94, 0.00312136/step, 2.09703 hours remaining, 236.253906 MB of memory in use. ENERGY: 2581400 4028.0041 20595.8247 14488.7666 227.6089 -203291.9095 2782.5455 0.0000 0.0000 52194.4534 -108974.7064 299.9622 -161169.1598 -108616.9247 300.3083 151.1313 181.7673 763259.8789 2.0309 2.1842 PRESSURE: 2581600 -42.6356 56.2202 104.194 56.2201 8.85775 -24.5875 104.194 -24.588 -46.5299 GPRESSURE: 2581600 -86.3274 59.3262 29.5444 4.23399 105.75 34.1047 63.8583 17.4185 -32.222 PRESSAVG: 2581600 -41.3863 -24.7118 -5.59163 -24.7118 27.9165 21.6898 -5.59161 21.6897 -5.7657 GPRESSAVG: 2581600 -41.333 -25.6571 -6.36937 -25.2593 28.5631 21.8573 -4.09912 21.6106 -5.97624 TIMING: 2581600 CPU: 8062.56, 0.00311074/step Wall: 8062.56, 0.00311074/step, 2.08972 hours remaining, 236.253906 MB of memory in use. ENERGY: 2581600 4032.8857 20470.9199 14516.0121 233.1831 -203690.0786 3029.2120 0.0000 0.0000 52545.4849 -108862.3809 301.9796 -161407.8658 -108485.6594 299.6706 -26.7692 -4.2663 763718.5479 -6.4118 -6.2487 PRESSURE: 2581800 -724.348 -81.314 -71.0281 -81.3141 -228.566 18.1706 -71.0273 18.1693 -152.07 GPRESSURE: 2581800 -693.157 -167.625 -49.8168 -128.536 -211.382 16.3313 -148.055 -98.1297 -132.922 PRESSAVG: 2581800 -21.9074 12.05 42.8707 12.05 22.7365 28.365 42.8707 28.365 2.89776 GPRESSAVG: 2581800 -22.2634 12.4347 42.6286 12.0496 22.4851 26.8362 43.5564 29.5135 3.20802 TIMING: 2581800 CPU: 8063.18, 0.00312243/step Wall: 8063.18, 0.00312242/step, 2.0974 hours remaining, 236.253906 MB of memory in use. ENERGY: 2581800 4049.5596 20711.8829 14509.9593 263.2658 -203056.4764 2662.2423 0.0000 0.0000 51945.7483 -108913.8182 298.5329 -160859.5665 -108555.9988 299.8845 -368.3278 -345.8203 765225.1186 1.2423 1.1432 PRESSURE: 2582000 -134.575 -142.099 25.4827 -142.099 -135.919 56.3588 25.483 56.3591 288.57 GPRESSURE: 2582000 -62.7564 -208.699 9.08199 -170.444 -142.479 18.9997 70.817 -20.3606 294.273 PRESSAVG: 2582000 13.9102 -37.8082 -10.6576 -37.8083 7.90505 -36.6691 -10.6576 -36.6691 0.284572 GPRESSAVG: 2582000 14.041 -39.0302 -11.2357 -38.0851 7.59726 -37.3441 -10.5359 -36.8779 0.854015 TIMING: 2582000 CPU: 8063.81, 0.00312021/step Wall: 8063.81, 0.00312021/step, 2.09574 hours remaining, 236.253906 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: 2582000 4047.2226 20548.9796 14544.1290 261.2074 -203226.9284 2752.4987 0.0000 0.0000 52217.3386 -108855.5525 300.0938 -161072.8911 -108489.4523 300.4532 6.0255 29.6790 764431.0464 7.3666 7.4974 PRESSURE: 2582200 -31.8362 -72.2138 -43.3197 -72.2147 -110.404 -185.51 -43.3201 -185.511 -291.151 GPRESSURE: 2582200 -32.8576 -34.3829 -96.3778 -93.8554 -81.1827 -154.034 -151.463 -253.037 -219.179 PRESSAVG: 2582200 -31.6092 -22.5447 -12.7733 -22.5447 -9.18594 -4.501 -12.7733 -4.50099 12.2919 GPRESSAVG: 2582200 -31.6 -21.821 -13.5947 -22.2036 -9.08785 -2.63703 -12.4025 -5.80775 11.8911 TIMING: 2582200 CPU: 8064.43, 0.00312552/step Wall: 8064.43, 0.00312553/step, 2.09914 hours remaining, 236.253906 MB of memory in use. ENERGY: 2582200 3988.0113 20581.9164 14500.1000 273.4554 -202797.5673 2557.8186 0.0000 0.0000 52097.9738 -108798.2917 299.4078 -160896.2655 -108441.0339 300.0682 -144.4637 -111.0732 763750.0093 -9.5011 -9.5989 PRESSURE: 2582400 140.675 -93.0982 -27.7961 -93.0975 156.339 -292.098 -27.7959 -292.098 -434.354 GPRESSURE: 2582400 164.683 -112.346 -84.2617 -66.3209 80.3084 -148.469 78.2923 -380.658 -294.962 PRESSAVG: 2582400 -0.486705 -20.0356 -17.8037 -20.0356 -42.427 14.7312 -17.8037 14.7312 -7.06856 GPRESSAVG: 2582400 0.272794 -18.9035 -16.9172 -19.1175 -43.2698 14.3433 -17.2891 15.0238 -6.6369 TIMING: 2582400 CPU: 8065.05, 0.00308613/step Wall: 8065.05, 0.00308613/step, 2.07251 hours remaining, 236.253906 MB of memory in use. ENERGY: 2582400 3954.2115 20570.9075 14537.8957 246.3588 -202797.1754 2633.5215 0.0000 0.0000 52222.2742 -108632.0061 300.1221 -160854.2803 -108268.3222 300.1325 -45.7800 -16.6567 763843.0515 -16.6608 -16.5446 PRESSURE: 2582600 -165.864 -145.981 359.77 -145.981 -185.465 -49.3189 359.769 -49.3186 176.65 GPRESSURE: 2582600 -87.534 -120.512 320.633 -102.176 -145.365 -13.305 347.74 -47.7329 135.33 PRESSAVG: 2582600 23.9809 -8.32508 8.28984 -8.32509 -31.3945 9.53877 8.28984 9.53866 -8.06226 GPRESSAVG: 2582600 23.0894 -8.90836 8.21395 -9.93655 -30.7672 9.94216 10.195 8.55808 -7.84798 TIMING: 2582600 CPU: 8065.67, 0.00312312/step Wall: 8065.67, 0.00312312/step, 2.09717 hours remaining, 236.253906 MB of memory in use. ENERGY: 2582600 3993.1643 20659.4340 14522.6496 250.9344 -202975.8560 2543.8814 0.0000 0.0000 52397.2765 -108608.5157 301.1279 -161005.7923 -108238.1756 300.3612 -58.2264 -32.5230 764474.7881 -5.1586 -5.1753 PRESSURE: 2582800 -228.82 40.5086 -227.21 40.5088 -208.147 278.194 -227.209 278.195 13.8364 GPRESSURE: 2582800 -208.592 99.9076 -227.925 -149.89 -188.346 191.368 -142.787 228.779 56.4847 PRESSAVG: 2582800 23.4465 13.5156 38.2474 13.5156 -36.8207 34.2358 38.2474 34.2358 11.1835 GPRESSAVG: 2582800 23.7861 14.9994 36.7698 14.7576 -35.6402 33.9834 37.0619 35.3201 9.5504 TIMING: 2582800 CPU: 8066.3, 0.00310749/step Wall: 8066.3, 0.00310749/step, 2.0865 hours remaining, 236.253906 MB of memory in use. ENERGY: 2582800 3907.2850 20390.3517 14557.3533 247.5053 -202377.9725 2260.9735 0.0000 0.0000 52178.5137 -108835.9900 299.8706 -161014.5037 -108464.6830 299.5069 -141.0436 -113.4844 764134.0215 -0.7302 -0.7679 PRESSURE: 2583000 -30.7289 139 112.075 138.999 0.598598 14.8282 112.075 14.8279 -10.232 GPRESSURE: 2583000 15.1808 45.3424 120.716 364.025 18.2991 103.495 8.88468 -55.7464 -9.04711 PRESSAVG: 2583000 11.4477 12.3129 5.34847 12.3129 9.82755 49.2721 5.34846 49.2721 -2.40593 GPRESSAVG: 2583000 10.9516 12.1539 7.50206 12.2943 9.2845 48.1794 3.35599 49.6649 -1.63341 TIMING: 2583000 CPU: 8066.92, 0.00312178/step Wall: 8066.92, 0.00312178/step, 2.09593 hours remaining, 236.253906 MB of memory in use. ENERGY: 2583000 3996.2097 20720.5482 14587.2518 230.0175 -203184.5384 2621.9289 0.0000 0.0000 52107.1151 -108921.4672 299.4603 -161028.5823 -108558.7080 299.5261 -13.4541 8.1443 764480.8581 6.2898 6.2009 PRESSURE: 2583200 -21.8533 0.28737 -359.536 0.28761 63.0646 48.3516 -359.536 48.3529 70.8212 GPRESSURE: 2583200 82.5501 -22.5452 -253.44 -124.172 75.3024 83.2081 -333.133 -17.8318 30.8243 PRESSAVG: 2583200 31.1402 32.1702 -42.3883 32.1702 -30.9867 9.01306 -42.3883 9.01306 12.4933 GPRESSAVG: 2583200 31.8674 31.0251 -43.8124 28.5877 -30.5959 11.865 -40.3027 6.75852 11.0935 TIMING: 2583200 CPU: 8067.54, 0.00312722/step Wall: 8067.54, 0.00312721/step, 2.0994 hours remaining, 236.253906 MB of memory in use. ENERGY: 2583200 3941.9758 20566.2056 14505.1124 250.2708 -203240.2698 2862.0005 0.0000 0.0000 52336.9004 -108777.8042 300.7809 -161114.7046 -108407.2018 300.2676 37.3441 62.8922 761950.1088 4.2156 4.1217 PRESSURE: 2583400 -19.2939 47.5711 -124.349 47.5704 80.8207 -253.38 -124.348 -253.38 -336.883 GPRESSURE: 2583400 -8.40364 117.679 -195.034 140.04 87.6423 -193.731 -138.948 -268.249 -265.703 PRESSAVG: 2583400 35.5794 -34.0898 -18.2517 -34.0898 -4.95246 -2.67447 -18.2516 -2.67448 -10.7031 GPRESSAVG: 2583400 34.982 -34.4497 -17.427 -32.3403 -6.58907 -2.80021 -19.0059 -4.32037 -8.97282 TIMING: 2583400 CPU: 8068.17, 0.00313448/step Wall: 8068.17, 0.00313448/step, 2.10411 hours remaining, 236.253906 MB of memory in use. ENERGY: 2583400 4002.5409 20704.6322 14457.3950 253.7159 -203312.8459 2831.1055 0.0000 0.0000 52214.0168 -108849.4396 300.0747 -161063.4564 -108493.2149 300.3181 -91.7853 -62.1546 761350.3720 6.6413 6.4734 PRESSURE: 2583600 10.4664 75.6119 -278.688 75.6112 102.903 -13.1516 -278.687 -13.1509 251.303 GPRESSURE: 2583600 43.0645 100.374 -349.546 236.839 179.008 -11.3613 -187.481 67.2743 234.584 PRESSAVG: 2583600 8.64957 48.8843 -20.0165 48.8842 1.56927 -44.2027 -20.0165 -44.2027 4.36636 GPRESSAVG: 2583600 7.54163 46.7008 -20.5336 51.6012 3.10441 -46.0676 -20.9567 -41.3375 3.8544 TIMING: 2583600 CPU: 8068.79, 0.00310023/step Wall: 8068.79, 0.00310023/step, 2.08095 hours remaining, 236.253906 MB of memory in use. ENERGY: 2583600 3974.3972 20495.3361 14528.0920 250.8369 -203427.6139 2840.3294 0.0000 0.0000 52535.8023 -108802.8200 301.9240 -161338.6222 -108422.7004 300.3323 121.5573 152.2186 762458.2790 4.8617 4.8335 PRESSURE: 2583800 -202.147 -11.3914 132.732 -11.3918 -79.6076 222.374 132.732 222.375 109.599 GPRESSURE: 2583800 -141.496 12.6819 69.9221 35.3463 -65.3394 137.071 302.834 281.232 141.112 PRESSAVG: 2583800 -17.9422 3.42129 -9.7762 3.42129 -10.7911 -24.7412 -9.77627 -24.7413 9.97805 GPRESSAVG: 2583800 -16.0554 2.70499 -8.45455 3.35826 -12.0188 -23.3566 -8.78715 -23.1945 9.67654 TIMING: 2583800 CPU: 8069.41, 0.00311275/step Wall: 8069.41, 0.00311275/step, 2.08917 hours remaining, 236.253906 MB of memory in use. ENERGY: 2583800 4052.0661 20569.9050 14413.1531 251.1662 -202802.5823 2546.6818 0.0000 0.0000 52118.5997 -108851.0104 299.5263 -160969.6101 -108491.4034 299.8311 -57.3851 -21.9077 764907.3124 -6.2517 -6.1326 PRESSURE: 2584000 -95.8241 -186.631 292.193 -186.632 -30.0927 -164.37 292.194 -164.37 500.904 GPRESSURE: 2584000 -142.908 -170.449 360.015 -114.913 56.2378 -136.249 294.742 -212.511 536.518 PRESSAVG: 2584000 -44.3854 -23.776 31.5459 -23.7761 36.1091 33.4511 31.5459 33.4511 -1.45569 GPRESSAVG: 2584000 -46.4036 -21.6895 31.3463 -24.3463 36.8105 33.4591 32.3001 32.4986 -0.728727 TIMING: 2584000 CPU: 8070.03, 0.00309487/step Wall: 8070.03, 0.00309487/step, 2.077 hours remaining, 236.253906 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: 2584000 3935.8191 20428.5101 14538.8853 269.7326 -203405.9391 2853.9728 0.0000 0.0000 52297.3609 -109081.6583 300.5537 -161379.0191 -108711.7340 299.6638 124.9956 149.9491 764265.1743 -3.2440 -3.4406 PRESSURE: 2584200 -216.39 29.5342 -121.407 29.5348 -151.63 136.03 -121.407 136.03 -249.138 GPRESSURE: 2584200 -164.835 1.92001 -207.113 -48.8143 -181.211 188.726 -150.007 98.6955 -188.295 PRESSAVG: 2584200 -17.7794 -12.4716 5.71452 -12.4717 0.21843 -16.1827 5.71449 -16.1828 1.04325 GPRESSAVG: 2584200 -15.5655 -12.7477 5.29899 -12.8314 -1.06266 -17.0512 3.80378 -16.4558 -0.343607 TIMING: 2584200 CPU: 8070.66, 0.00311682/step Wall: 8070.66, 0.00311682/step, 2.09156 hours remaining, 236.253906 MB of memory in use. ENERGY: 2584200 4050.9631 20491.6939 14489.7206 226.2103 -202929.0879 2520.9073 0.0000 0.0000 52117.1015 -109032.4912 299.5177 -161149.5927 -108666.6148 299.3044 -205.7194 -178.1135 763152.3993 -5.5059 -5.6572 LDB: ============= START OF LOAD BALANCING ============== 8083.13 LDB: ============== END OF LOAD BALANCING =============== 8083.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8083.14 LDB: ============= START OF LOAD BALANCING ============== 8083.45 LDB: Largest compute 7031 load 0.031124 is 15.9% of average load 0.195152 LDB: Average compute 0.004408 is 2.3% of average load 0.195152 LDB: TIME 8083.46 LOAD: AVG 0.195152 MAX 0.217597 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.008 MB LDB: TIME 8083.46 LOAD: AVG 0.195152 MAX 0.217597 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.211 MB LDB: TIME 8083.46 LOAD: AVG 0.195152 MAX 0.217597 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.211 MB LDB: ============== END OF LOAD BALANCING =============== 8083.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8083.46 PRESSURE: 2584400 218.483 98.5779 79.6229 98.578 132.091 63.3574 79.623 63.3578 -103.449 GPRESSURE: 2584400 221.478 -36.3722 30.9198 84.854 204.079 11.4354 122.001 114.924 -91.8529 PRESSAVG: 2584400 -51.5085 14.6914 20.8784 14.6914 66.6804 5.05147 20.8783 5.05151 13.1948 GPRESSAVG: 2584400 -54.3106 14.7986 19.8996 13.9826 68.659 6.40082 24.3633 3.78093 14.0956 TIMING: 2584400 CPU: 8071.3, 0.00320324/step Wall: 8071.3, 0.00320323/step, 2.14937 hours remaining, 235.269531 MB of memory in use. ENERGY: 2584400 4081.8624 20464.6143 14529.7334 230.7824 -203405.6220 2952.6711 0.0000 0.0000 51875.6192 -109270.3393 298.1299 -161145.9585 -108905.4925 298.8165 82.3753 111.2348 762749.3553 9.4556 9.4813 PRESSURE: 2584600 24.1501 -171.337 -238.501 -171.337 -468.208 160.995 -238.501 160.995 523.969 GPRESSURE: 2584600 77.2551 -169.161 -308.062 -103.569 -421.735 78.1724 -190.836 128.626 482.174 PRESSAVG: 2584600 -38.6222 38.0052 -34.2836 38.0052 59.5571 11.9616 -34.2836 11.9615 -2.95913 GPRESSAVG: 2584600 -36.5371 37.3061 -33.9399 37.5088 58.0143 12.3461 -36.7315 12.3462 -3.63798 TIMING: 2584600 CPU: 8071.92, 0.00312374/step Wall: 8071.92, 0.00312374/step, 2.09585 hours remaining, 235.335938 MB of memory in use. ENERGY: 2584600 3944.3879 20667.9308 14548.8289 232.7142 -203440.4498 2782.6225 0.0000 0.0000 51972.8437 -109291.1219 298.6886 -161263.9655 -108928.5610 299.1340 26.6368 45.8982 764556.2430 5.9919 5.9464 PRESSURE: 2584800 157.139 53.3977 -146.429 53.3983 196.016 -159.358 -146.429 -159.358 -21.9649 GPRESSURE: 2584800 133.448 20.4818 -176.555 90.1756 199 -178.183 -3.94445 -93.4656 70.7471 PRESSAVG: 2584800 65.1576 32.3603 -37.9877 32.3603 -52.5006 2.34692 -37.9877 2.34695 30.7463 GPRESSAVG: 2584800 64.7295 33.8141 -35.906 32.3881 -52.5647 0.174018 -38.5041 2.19213 31.9783 TIMING: 2584800 CPU: 8072.55, 0.00312175/step Wall: 8072.55, 0.00312175/step, 2.09435 hours remaining, 235.335938 MB of memory in use. ENERGY: 2584800 4028.0749 20476.2910 14493.5316 235.2259 -202952.6957 2436.6225 0.0000 0.0000 51970.2351 -109312.7147 298.6737 -161282.9498 -108937.0972 298.4676 110.3965 134.3984 762710.9914 14.4677 14.7144 PRESSURE: 2585000 -416.107 -98.6253 12.4409 -98.625 -387.612 74.1355 12.4414 74.1363 -40.5213 GPRESSURE: 2585000 -240.243 -76.5624 80.2074 -171.861 -377.578 92.2255 -107.431 229.065 -134.516 PRESSAVG: 2585000 12.2245 0.643475 41.9352 0.643473 -52.9067 36.3629 41.9352 36.3628 -18.3896 GPRESSAVG: 2585000 12.0941 -0.618211 40.7819 1.74478 -52.9161 39.3175 42.8193 37.0765 -18.7418 TIMING: 2585000 CPU: 8073.17, 0.00312142/step Wall: 8073.17, 0.00312142/step, 2.09395 hours remaining, 235.335938 MB of memory in use. ENERGY: 2585000 4045.1924 20366.0037 14543.6130 258.1369 -203824.5116 2742.0452 0.0000 0.0000 52305.4892 -109564.0312 300.6004 -161869.5204 -109201.3307 298.5210 -281.4134 -250.7792 763623.2945 -19.6906 -19.8546 PRESSURE: 2585200 429.018 41.2 3.76719 41.2004 -84.3443 267.438 3.76659 267.439 68.3175 GPRESSURE: 2585200 431.465 101.743 -19.2733 77.6968 -21.3039 282.369 7.66778 341.655 92.9327 PRESSAVG: 2585200 45.5356 -7.55332 -6.08813 -7.55328 -38.5131 46.3031 -6.08815 46.3031 -5.65951 GPRESSAVG: 2585200 45.0038 -6.26712 -5.82607 -11.138 -39.2933 43.8295 -6.20203 45.6394 -4.81171 TIMING: 2585200 CPU: 8073.8, 0.00313476/step Wall: 8073.8, 0.00313476/step, 2.10273 hours remaining, 235.335938 MB of memory in use. ENERGY: 2585200 3961.2053 20437.7989 14512.8945 240.3535 -203402.3125 2824.0013 0.0000 0.0000 52061.0976 -109364.9614 299.1958 -161426.0591 -108997.8308 298.6514 137.6637 167.6981 762999.1583 0.4543 0.2996 PRESSURE: 2585400 391.05 -55.205 -80.0616 -55.2039 141.62 76.1726 -80.0627 76.1732 82.1631 GPRESSURE: 2585400 365.556 108.06 -136.357 -52.61 111.096 13.3568 -63.4133 101.798 224.496 PRESSAVG: 2585400 32.075 17.0687 -8.47378 17.0687 -38.0602 16.3173 -8.47381 16.3172 -8.81374 GPRESSAVG: 2585400 33.4144 16.6016 -10.4239 18.1422 -37.9283 14.9279 -7.74997 18.2085 -9.68392 TIMING: 2585400 CPU: 8074.42, 0.00311318/step Wall: 8074.42, 0.00311318/step, 2.08808 hours remaining, 235.335938 MB of memory in use. ENERGY: 2585400 3973.6180 20512.5808 14524.6893 244.2097 -203477.3013 2800.3094 0.0000 0.0000 52005.1750 -109416.7192 298.8745 -161421.8942 -109056.5936 298.3387 204.9444 233.7161 763390.0925 -4.9330 -4.7326 PRESSURE: 2585600 -40.5543 127.035 90.4125 127.035 -215.278 -61.5244 90.413 -61.5233 256.73 GPRESSURE: 2585600 44.8059 85.2906 116.771 272.445 -227.464 -107.188 -80.9436 -104.4 272.018 PRESSAVG: 2585600 25.5214 26.1818 13.2678 26.1819 -91.011 -27.0288 13.2679 -27.0288 8.56301 GPRESSAVG: 2585600 23.8004 25.2959 13.9511 28.4227 -89.8477 -25.4452 13.7736 -26.8689 9.47752 TIMING: 2585600 CPU: 8075.05, 0.00312578/step Wall: 8075.05, 0.00312578/step, 2.09636 hours remaining, 235.335938 MB of memory in use. ENERGY: 2585600 4019.1709 20436.0762 14478.7797 261.6504 -203159.1453 2769.7880 0.0000 0.0000 51943.6678 -109250.0124 298.5210 -161193.6802 -108895.9854 298.1250 0.2990 29.7868 764370.2252 -18.9756 -18.8566 PRESSURE: 2585800 258.014 98.2131 87.4449 98.2129 60.1869 148.809 87.4446 148.809 -58.6441 GPRESSURE: 2585800 292.879 93.2473 51.8992 82.5489 49.9584 123.96 -87.5333 243.118 -9.69715 PRESSAVG: 2585800 -26.8853 -21.6844 -44.2273 -21.6845 0.63621 2.95361 -44.2273 2.95369 -9.73525 GPRESSAVG: 2585800 -26.7101 -20.7328 -43.3092 -23.1342 -0.725111 1.28082 -44.4283 3.57416 -8.94471 TIMING: 2585800 CPU: 8075.67, 0.00312435/step Wall: 8075.67, 0.00312436/step, 2.09523 hours remaining, 235.335938 MB of memory in use. ENERGY: 2585800 3978.8143 20631.3199 14451.0022 241.4180 -203064.5111 2624.6365 0.0000 0.0000 51908.7008 -109228.6192 298.3200 -161137.3201 -108862.1615 298.7070 86.5191 111.0469 764411.1504 -11.9948 -12.1266 PRESSURE: 2586000 365.928 -172.252 73.5167 -172.251 278.61 -174.187 73.5176 -174.188 145.866 GPRESSURE: 2586000 416.245 16.9714 99.5663 -76.5389 287.492 -280.74 49.2152 -139.708 168.449 PRESSAVG: 2586000 -34.7122 10.0578 -37.4247 10.0577 8.0656 -19.328 -37.4247 -19.328 -3.70771 GPRESSAVG: 2586000 -33.9577 9.97273 -36.9819 8.7073 9.09532 -18.2767 -39.1835 -20.3938 -4.32466 TIMING: 2586000 CPU: 8076.29, 0.00311601/step Wall: 8076.29, 0.00311601/step, 2.08946 hours remaining, 235.335938 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: 2586000 4014.4349 20502.5732 14586.3133 249.6686 -203666.5825 2897.8764 0.0000 0.0000 52359.6457 -109056.0705 300.9116 -161415.7162 -108690.6600 299.3530 263.4681 290.7287 762262.6013 -10.1181 -9.7290 PRESSURE: 2586200 -41.9996 2.47998 190.167 2.47954 -263.984 167.722 190.166 167.723 -175.006 GPRESSURE: 2586200 3.68206 45.8302 173.436 -40.3564 -175.852 67.2124 271.202 233.656 -214.18 PRESSAVG: 2586200 2.08945 40.0552 25.7612 40.0552 34.7836 23.2714 25.7612 23.2714 -7.36051 GPRESSAVG: 2586200 1.85979 38.7492 25.6531 41.7919 35.1452 23.397 27.503 22.2952 -7.27499 TIMING: 2586200 CPU: 8076.92, 0.00311508/step Wall: 8076.92, 0.00311508/step, 2.08866 hours remaining, 235.335938 MB of memory in use. ENERGY: 2586200 4012.7071 20651.5928 14475.1975 260.1037 -203094.2169 2477.8354 0.0000 0.0000 52348.6485 -108868.1319 300.8484 -161216.7805 -108497.7739 300.2459 -160.3298 -128.7832 763578.6942 9.8375 9.9100 PRESSURE: 2586400 -191.246 -219.664 163.49 -219.665 147.098 115.423 163.49 115.423 87.6824 GPRESSURE: 2586400 -101.492 -82.0273 146.504 -180.299 90.2874 37.7817 176.539 50.5957 129.212 PRESSAVG: 2586400 36.3267 -12.0514 11.9606 -12.0513 -62.9304 -22.0028 11.9606 -22.0028 -4.06731 GPRESSAVG: 2586400 36.6295 -12.5205 13.191 -11.4332 -62.4605 -20.7077 12.9103 -21.3658 -4.82485 TIMING: 2586400 CPU: 8077.54, 0.00310932/step Wall: 8077.54, 0.00310932/step, 2.08463 hours remaining, 235.335938 MB of memory in use. ENERGY: 2586400 4104.4175 20658.0111 14514.4811 265.0888 -203668.3152 2929.3746 0.0000 0.0000 52266.6003 -108930.3418 300.3769 -161196.9421 -108579.2812 299.8602 14.5115 39.3358 762345.7311 -10.2237 -10.2186 PRESSURE: 2586600 -3.0204 32.6849 149.101 32.6845 407.162 -257.003 149.101 -257.004 129.276 GPRESSURE: 2586600 84.5691 80.5583 135.497 123.37 363.643 -166.516 166.704 -268.942 179.342 PRESSAVG: 2586600 -1.98038 -48.4284 54.7931 -48.4285 8.21515 -5.56076 54.793 -5.56085 -22.3148 GPRESSAVG: 2586600 -1.7176 -48.7852 54.3503 -48.5025 7.22537 -7.27799 53.2716 -5.55722 -21.3893 TIMING: 2586600 CPU: 8078.16, 0.00309632/step Wall: 8078.16, 0.00309632/step, 2.07574 hours remaining, 235.335938 MB of memory in use. ENERGY: 2586600 4018.2271 20511.7188 14532.1635 262.8326 -203304.8325 2737.6082 0.0000 0.0000 52270.9320 -108971.3503 300.4018 -161242.2824 -108607.8881 300.1755 177.8058 209.1848 761338.2061 -5.3600 -5.2939 PRESSURE: 2586800 -209.15 111.751 55.7748 111.75 -96.4985 5.55642 55.7747 5.5564 -9.05701 GPRESSURE: 2586800 -218.417 43.943 31.3953 53.1 -72.3451 -11.6804 211.435 -0.0185324 32.2866 PRESSAVG: 2586800 31.7152 15.2032 -1.12483 15.2032 -19.4497 15.5802 -1.12483 15.5802 10.1593 GPRESSAVG: 2586800 31.1231 17.8295 -3.65088 15.3608 -18.8608 14.087 1.48481 15.5741 9.84027 TIMING: 2586800 CPU: 8078.78, 0.00310242/step Wall: 8078.78, 0.00310242/step, 2.07965 hours remaining, 235.335938 MB of memory in use. ENERGY: 2586800 4069.2652 20570.8884 14574.9900 252.1990 -203325.6751 2696.1324 0.0000 0.0000 52157.1060 -109005.0942 299.7476 -161162.2001 -108641.0189 299.8429 -104.9019 -86.1586 762417.0302 7.4749 7.3676 PRESSURE: 2587000 232.907 -4.85406 64.4502 -4.85423 -183.078 99.0901 64.4496 99.0908 259.678 GPRESSURE: 2587000 216.352 -103.439 14.8172 -127.369 -213.376 127.579 -15.1156 217.316 382.392 PRESSAVG: 2587000 -14.0204 37.4736 56.3779 37.4736 28.9038 -2.99683 56.378 -2.99691 15.0424 GPRESSAVG: 2587000 -14.2818 36.9374 58.2273 37.41 27.9032 -1.21108 53.8308 -2.49241 15.6498 TIMING: 2587000 CPU: 8079.4, 0.00312007/step Wall: 8079.4, 0.00312007/step, 2.09132 hours remaining, 235.335938 MB of memory in use. ENERGY: 2587000 4006.4356 20464.6069 14480.6942 251.2458 -203482.2350 2881.7669 0.0000 0.0000 52274.2650 -109123.2206 300.4209 -161397.4856 -108758.4190 299.7024 103.1692 128.4560 762011.1165 9.9753 9.7571 PRESSURE: 2587200 -34.8208 -94.8146 50.9211 -94.8149 -169.284 270.397 50.9206 270.397 128.759 GPRESSURE: 2587200 -23.0185 -41.2048 -4.65971 -97.3239 -178.576 252.417 149.013 247.843 223.985 PRESSAVG: 2587200 -17.1097 -6.07334 12.8615 -6.07328 -30.9177 -5.34841 12.8616 -5.3483 -11.8367 GPRESSAVG: 2587200 -18.1204 -5.86945 11.8563 -7.10311 -29.1388 -4.97447 13.1843 -4.3935 -12.3597 TIMING: 2587200 CPU: 8080.03, 0.00311378/step Wall: 8080.03, 0.00311378/step, 2.08693 hours remaining, 235.335938 MB of memory in use. ENERGY: 2587200 4043.9486 20434.0363 14476.4363 252.1233 -203665.7622 2928.4721 0.0000 0.0000 52108.4890 -109422.2566 299.4682 -161530.7456 -109059.6030 299.5241 -25.1150 7.4636 761523.4068 -19.9547 -19.8730 PRESSURE: 2587400 62.6605 -48.0717 -59.9791 -48.0716 257.197 74.6124 -59.9783 74.6115 220.115 GPRESSURE: 2587400 90.357 -60.3066 -67.488 52.2855 289.076 137.164 -42.9381 -85.9058 239.059 PRESSAVG: 2587400 -26.9373 -5.5013 1.29609 -5.50128 28.7097 -34.6037 1.29615 -34.6037 -3.05424 GPRESSAVG: 2587400 -25.8379 -6.0459 1.91468 -3.83099 26.4132 -34.9155 1.57163 -36.0606 -3.00404 TIMING: 2587400 CPU: 8080.65, 0.00310071/step Wall: 8080.65, 0.00310071/step, 2.078 hours remaining, 235.335938 MB of memory in use. ENERGY: 2587400 4003.1958 20569.1283 14552.6811 248.7409 -203439.2929 2869.6474 0.0000 0.0000 52065.7710 -109130.1284 299.2227 -161195.8994 -108768.9208 299.2456 179.9906 206.1639 760959.4997 -0.4273 -0.8096 PRESSURE: 2587600 162.633 171.602 69.0429 171.601 80.9085 19.2249 69.0428 19.2247 -136.988 GPRESSURE: 2587600 137.336 115.388 48.7579 139.902 147.476 -29.9309 99.3697 16.7685 -81.8305 PRESSAVG: 2587600 -18.4641 7.23878 1.81021 7.23875 -6.87367 -29.4316 1.81016 -29.4316 15.8535 GPRESSAVG: 2587600 -17.968 7.31542 3.19085 5.85383 -6.87611 -28.9131 2.00869 -31.0659 15.2241 TIMING: 2587600 CPU: 8081.26, 0.0030979/step Wall: 8081.26, 0.0030979/step, 2.07594 hours remaining, 235.335938 MB of memory in use. ENERGY: 2587600 3971.2176 20479.9929 14462.1193 234.6931 -203372.1174 2711.9268 0.0000 0.0000 52317.8547 -109194.3131 300.6714 -161512.1678 -108822.2935 299.7086 35.5177 67.6607 761740.0732 -3.1614 -3.2067 PRESSURE: 2587800 336.777 103.305 131.665 103.305 -7.82427 23.0347 131.665 23.0337 461.359 GPRESSURE: 2587800 269.681 38.0494 211.982 87.8277 100.275 28.2654 58.9288 19.6429 477.997 PRESSAVG: 2587800 -35.2363 -7.84854 5.47864 -7.84856 62.3656 -21.5402 5.4786 -21.5402 -6.83409 GPRESSAVG: 2587800 -35.7216 -7.12119 6.05194 -7.37553 63.2273 -21.051 3.77498 -18.3969 -6.90273 TIMING: 2587800 CPU: 8081.88, 0.00309567/step Wall: 8081.88, 0.00309567/step, 2.07427 hours remaining, 235.335938 MB of memory in use. ENERGY: 2587800 3993.6711 20572.2263 14460.5143 243.4738 -203776.9974 3201.7086 0.0000 0.0000 52097.1546 -109208.2488 299.4031 -161305.4034 -108844.3680 299.4671 263.4370 282.6509 761084.5589 6.7651 6.8676 PRESSURE: 2588000 -16.0097 -113.311 -214.649 -113.311 218.814 170.212 -214.649 170.212 22.0443 GPRESSURE: 2588000 16.0377 -56.7216 -167.738 -103.447 237.266 204.394 -119.886 179.176 72.6127 PRESSAVG: 2588000 19.891 -10.9387 8.81392 -10.9387 -25.7079 -28.6199 8.81386 -28.6199 7.31263 GPRESSAVG: 2588000 21.3891 -13.6437 7.37941 -12.8501 -26.797 -28.713 9.96936 -31.2492 6.97666 TIMING: 2588000 CPU: 8082.5, 0.00308848/step Wall: 8082.5, 0.00308848/step, 2.06928 hours remaining, 235.335938 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: 2588000 3994.2748 20660.7979 14522.1866 248.4157 -203981.2512 3076.0634 0.0000 0.0000 52284.2202 -109195.2926 300.4781 -161479.5128 -108846.5723 299.4992 74.9496 108.6389 761364.9977 0.4986 0.5229 PRESSURE: 2588200 19.952 -7.48739 -73.0333 -7.4876 -155.72 204.356 -73.0334 204.356 -131.803 GPRESSURE: 2588200 67.9481 44.7325 -63.2589 157.018 -114.596 125.008 106.703 165.844 -106.218 PRESSAVG: 2588200 27.5452 -19.2673 10.4042 -19.2673 0.206124 -17.1311 10.4041 -17.1311 3.94794 GPRESSAVG: 2588200 25.9648 -16.4651 10.1517 -17.8157 0.151179 -18.2162 10.8652 -16.4942 6.21684 TIMING: 2588200 CPU: 8083.13, 0.00314496/step Wall: 8083.13, 0.00314496/step, 2.10695 hours remaining, 235.335938 MB of memory in use. ENERGY: 2588200 4013.3392 20566.7062 14534.2529 251.2628 -202983.1643 2549.2139 0.0000 0.0000 51945.0643 -109123.3249 298.5290 -161068.3892 -108762.3286 299.4529 -89.1900 -50.9555 763726.7165 10.5664 10.7776 LDB: ============= START OF LOAD BALANCING ============== 8095.61 LDB: ============== END OF LOAD BALANCING =============== 8095.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8095.61 LDB: ============= START OF LOAD BALANCING ============== 8095.92 LDB: Largest compute 7054 load 0.029551 is 15.1% of average load 0.195073 LDB: Average compute 0.004415 is 2.3% of average load 0.195073 LDB: TIME 8095.93 LOAD: AVG 0.195073 MAX 0.21335 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.23 MB LDB: TIME 8095.93 LOAD: AVG 0.195073 MAX 0.21335 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.23 MB LDB: TIME 8095.93 LOAD: AVG 0.195073 MAX 0.21335 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.23 MB LDB: ============== END OF LOAD BALANCING =============== 8095.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8095.94 PRESSURE: 2588400 -24.8594 44.7884 33.0858 44.7894 -360.888 123.788 33.0857 123.788 -536.574 GPRESSURE: 2588400 -32.7896 44.3425 7.22968 117.62 -307.5 146.055 6.44042 69.103 -503.619 PRESSAVG: 2588400 49.4134 9.20256 31.8454 9.20249 -16.2826 14.0723 31.8453 14.0723 0.999424 GPRESSAVG: 2588400 49.3711 9.45862 32.2149 9.44087 -15.7887 13.8164 32.1424 14.9058 0.26043 TIMING: 2588400 CPU: 8083.77, 0.00319697/step Wall: 8083.77, 0.00319697/step, 2.14162 hours remaining, 233.539062 MB of memory in use. ENERGY: 2588400 4000.2929 20437.4128 14484.9193 228.8442 -203063.1402 2516.6426 0.0000 0.0000 52263.0070 -109132.0214 300.3562 -161395.0284 -108780.8201 299.7179 -307.4407 -281.3029 764904.6833 11.3767 11.2810 PRESSURE: 2588600 -248.921 -38.4789 -150.165 -38.4798 -81.4976 -191.339 -150.164 -191.34 -22.6794 GPRESSURE: 2588600 -254.568 -109.509 -107.273 -72.7768 -46.7297 -239.383 -102.028 10.2785 12.8923 PRESSAVG: 2588600 7.65274 15.4907 -23.7172 15.4907 -28.4147 -1.15316 -23.7172 -1.15318 21.0598 GPRESSAVG: 2588600 8.39605 14.4235 -22.1233 14.936 -28.5212 -1.61963 -26.4965 0.552232 21.1607 TIMING: 2588600 CPU: 8084.39, 0.00310184/step Wall: 8084.39, 0.00310184/step, 2.07772 hours remaining, 233.539062 MB of memory in use. ENERGY: 2588600 4066.7505 20548.0497 14518.9213 247.0909 -203050.5394 2686.1563 0.0000 0.0000 51710.4714 -109273.0993 297.1808 -160983.5708 -108910.5165 299.0378 -117.6994 -96.1352 763323.5442 0.0993 0.3452 PRESSURE: 2588800 -136.906 23.334 -20.1029 23.3342 -204.34 -182.105 -20.1026 -182.104 -239.265 GPRESSURE: 2588800 -116.271 139.842 -58.332 -1.75728 -216.951 -177.344 103.644 -163.524 -180.424 PRESSAVG: 2588800 12.9696 -16.9872 20.2118 -16.9873 -34.0465 -1.11005 20.2118 -1.11007 1.80478 GPRESSAVG: 2588800 13.3161 -16.9543 16.8487 -17.0165 -34.9854 -0.642856 25.1093 -3.68665 2.55156 TIMING: 2588800 CPU: 8085.01, 0.00310241/step Wall: 8085.01, 0.00310241/step, 2.07793 hours remaining, 233.539062 MB of memory in use. ENERGY: 2588800 4036.0689 20456.1083 14463.6285 221.0412 -203484.0968 2824.1201 0.0000 0.0000 52281.7332 -109201.3966 300.4638 -161483.1298 -108836.9635 299.2727 -193.5036 -171.2155 763884.4663 -6.4240 -6.3726 PRESSURE: 2589000 204.151 -13.0141 -52.6178 -13.0141 -1.36226 -276.072 -52.6177 -276.07 104.139 GPRESSURE: 2589000 218.877 24.4254 -160.895 15.0533 89.5492 -257.124 16.5021 -128.53 81.0468 PRESSAVG: 2589000 -48.0724 1.57675 -5.32078 1.57675 33.9383 -12.3386 -5.32083 -12.3386 -19.4658 GPRESSAVG: 2589000 -49.859 3.92871 -5.84808 1.48025 36.1148 -11.0888 -5.43625 -13.1642 -19.9008 TIMING: 2589000 CPU: 8085.63, 0.00310817/step Wall: 8085.63, 0.00310817/step, 2.08161 hours remaining, 233.539062 MB of memory in use. ENERGY: 2589000 3990.7220 20347.2776 14456.1593 231.1883 -202909.2839 2714.1240 0.0000 0.0000 51879.5487 -109290.2641 298.1525 -161169.8128 -108924.2750 299.3017 102.3094 129.8243 761549.2994 -11.2000 -11.2150 PRESSURE: 2589200 20.8531 85.7967 -225.919 85.7975 42.7456 64.291 -225.918 64.2916 87.5049 GPRESSURE: 2589200 142.862 -37.9811 -159.132 117.031 17.7662 40.6865 -277.481 36.546 81.356 PRESSAVG: 2589200 -10.74 -10.9395 -6.74504 -10.9395 24.0702 -51.4686 -6.74502 -51.4687 6.99871 GPRESSAVG: 2589200 -9.15364 -11.5697 -4.00212 -11.0323 22.782 -53.1185 -10.7311 -51.2288 6.97715 TIMING: 2589200 CPU: 8086.25, 0.00310374/step Wall: 8086.25, 0.00310374/step, 2.07847 hours remaining, 233.539062 MB of memory in use. ENERGY: 2589200 3970.3018 20670.9343 14544.2949 229.9271 -203472.8642 2882.3420 0.0000 0.0000 52094.9707 -109080.0935 299.3905 -161175.0642 -108714.9429 298.9167 50.3679 80.6613 760629.5927 6.7763 6.8685 PRESSURE: 2589400 216.731 -67.5921 -202.202 -67.5918 -257.049 -77.307 -202.203 -77.3064 -286.201 GPRESSURE: 2589400 195.746 -215.321 -162.519 -37.4505 -174.92 -159.031 -248.763 -61.6328 -257.708 PRESSAVG: 2589400 26.4242 79.0797 -59.244 79.0796 -44.2818 -13.221 -59.244 -13.221 -4.84385 GPRESSAVG: 2589400 26.1168 78.2673 -59.3078 76.718 -43.3279 -13.5203 -59.9135 -13.4054 -5.33756 TIMING: 2589400 CPU: 8086.88, 0.00312491/step Wall: 8086.88, 0.00312491/step, 2.09248 hours remaining, 233.539062 MB of memory in use. ENERGY: 2589400 4012.1555 20455.5966 14529.4116 255.1339 -203109.5268 2457.0075 0.0000 0.0000 52081.8328 -109318.3889 299.3150 -161400.2217 -108945.3480 299.6629 -108.8394 -78.9604 762198.3531 -7.5672 -7.5162 PRESSURE: 2589600 -133.173 -195.224 110.79 -195.224 -410.852 -53.7772 110.79 -53.7774 -202.029 GPRESSURE: 2589600 -145.391 -101.478 148.339 -155.813 -240.051 -72.513 123.54 -107.703 -263.865 PRESSAVG: 2589600 25.7445 -26.0169 -43.4138 -26.0169 8.59866 -27.0601 -43.4139 -27.06 -16.2784 GPRESSAVG: 2589600 25.1507 -25.2783 -42.6763 -23.2641 8.70459 -28.4215 -41.5794 -26.5259 -15.8996 TIMING: 2589600 CPU: 8087.5, 0.00311719/step Wall: 8087.5, 0.00311719/step, 2.08713 hours remaining, 233.539062 MB of memory in use. ENERGY: 2589600 3948.0549 20488.1606 14496.5144 248.9093 -203447.6025 2626.7629 0.0000 0.0000 52260.2528 -109378.9476 300.3404 -161639.2005 -109012.7658 299.3408 -248.6845 -216.4356 761646.9118 6.0216 5.9852 PRESSURE: 2589800 -28.6329 52.6199 42.6484 52.6199 114.73 14.7243 42.6492 14.725 253.754 GPRESSURE: 2589800 15.0043 15.7031 65.4745 30.211 174.1 21.4344 -37.7941 32.6724 214.079 PRESSAVG: 2589800 -23.282 16.3972 31.2266 16.3973 33.8857 -20.4847 31.2267 -20.4848 1.57329 GPRESSAVG: 2589800 -22.0356 15.7221 31.2117 15.2204 33.1765 -18.336 30.134 -21.8381 1.3458 TIMING: 2589800 CPU: 8088.12, 0.00310758/step Wall: 8088.12, 0.00310758/step, 2.08052 hours remaining, 233.539062 MB of memory in use. ENERGY: 2589800 3996.8929 20620.2985 14495.5958 246.1181 -203284.7537 2591.6371 0.0000 0.0000 51992.3806 -109341.8305 298.8009 -161334.2112 -108976.2827 299.0484 113.2837 134.3943 762114.5276 4.0590 4.1622 PRESSURE: 2590000 242.833 -88.3308 -6.6339 -88.3312 236.919 -230.099 -6.63359 -230.1 426.228 GPRESSURE: 2590000 243.905 -50.4733 34.0777 -81.989 354.673 -156.015 13.3386 -201.263 385.058 PRESSAVG: 2590000 15.6497 -39.99 -5.49794 -39.99 -8.48374 -59.8761 -5.49796 -59.8761 15.7866 GPRESSAVG: 2590000 15.7465 -40.3551 -6.08308 -40.3187 -8.59086 -60.0729 -3.70741 -58.0642 15.7234 TIMING: 2590000 CPU: 8088.75, 0.00311912/step Wall: 8088.75, 0.00311913/step, 2.08808 hours remaining, 233.539062 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: 2590000 4085.0383 20404.3607 14423.1659 230.2988 -203588.1312 2856.5323 0.0000 0.0000 52327.0080 -109261.7272 300.7240 -161588.7352 -108901.8490 299.3441 301.9932 327.8788 760809.1858 7.6508 7.6264 PRESSURE: 2590200 -171.425 -141.377 43.6906 -141.377 -54.8608 -126.538 43.6904 -126.538 -292.416 GPRESSURE: 2590200 -231.222 -147.177 3.5301 -103.714 3.923 -105.196 59.0313 -164.341 -207.541 PRESSAVG: 2590200 1.26734 23.2544 -32.5307 23.2544 4.8269 -28.2437 -32.5308 -28.2436 -32.0718 GPRESSAVG: 2590200 0.995632 25.3743 -33.41 22.5426 5.61242 -27.0983 -30.1884 -32.8801 -32.7961 TIMING: 2590200 CPU: 8089.37, 0.00309392/step Wall: 8089.37, 0.00309392/step, 2.07104 hours remaining, 233.539062 MB of memory in use. ENERGY: 2590200 3938.6078 20553.6539 14435.5576 249.2055 -203146.5441 2609.0394 0.0000 0.0000 52009.3924 -109351.0874 298.8987 -161360.4799 -108989.4540 299.0687 -172.9008 -144.9466 762587.8438 -8.6592 -8.7293 PRESSURE: 2590400 138.871 -15.3871 31.4015 -15.387 53.7881 30.9928 31.401 30.993 -196.524 GPRESSURE: 2590400 163.234 -35.5435 29.0158 -39.9614 84.8076 -23.2531 -34.5161 161.53 -147.648 PRESSAVG: 2590400 -5.45954 -0.594077 38.3463 -0.594034 26.9333 -24.5844 38.3463 -24.5845 14.5846 GPRESSAVG: 2590400 -5.80424 -1.58117 38.314 0.0442323 26.4961 -23.9911 35.0374 -21.3551 15.6155 TIMING: 2590400 CPU: 8089.98, 0.00309582/step Wall: 8089.98, 0.00309582/step, 2.07214 hours remaining, 233.539062 MB of memory in use. ENERGY: 2590400 4040.9884 20479.7404 14485.1849 259.0786 -203144.5868 2561.9163 0.0000 0.0000 51928.3698 -109389.3083 298.4331 -161317.6781 -109020.8124 299.6604 -1.2884 33.4645 761232.1320 12.0195 12.1024 PRESSURE: 2590600 -71.9921 46.254 21.386 46.254 -382.895 75.2243 21.3857 75.2231 -116.212 GPRESSURE: 2590600 -71.2917 1.89513 111.191 119.622 -290.993 125.152 42.8348 69.0488 -128.487 PRESSAVG: 2590600 5.97789 -33.8081 -0.0824042 -33.8081 16.0422 -26.8158 -0.0824033 -26.8157 -7.80501 GPRESSAVG: 2590600 5.36722 -34.2331 -0.351887 -35.1288 16.2386 -28.9357 1.24346 -24.8238 -8.0757 TIMING: 2590600 CPU: 8090.61, 0.00310248/step Wall: 8090.61, 0.00310248/step, 2.07642 hours remaining, 233.539062 MB of memory in use. ENERGY: 2590600 3976.6023 20454.7566 14458.5837 232.7584 -202849.9043 2544.1456 0.0000 0.0000 51908.5412 -109274.5165 298.3191 -161183.0577 -108912.9515 299.4160 -190.3664 -163.5904 763154.7211 4.7384 4.5100 PRESSURE: 2590800 -280.171 102.074 -29.7941 102.074 -187.613 -187.769 -29.7939 -187.768 125.093 GPRESSURE: 2590800 -240.53 -27.6356 -66.9749 1.39556 -118.116 -247.092 38.4425 -117.512 89.361 PRESSAVG: 2590800 -54.2289 8.85915 -22.6944 8.8591 36.4058 -14.9665 -22.6944 -14.9665 16.5057 GPRESSAVG: 2590800 -54.4544 7.57963 -22.6264 11.5963 36.8147 -14.2965 -22.778 -17.8906 15.7795 TIMING: 2590800 CPU: 8091.23, 0.00310102/step Wall: 8091.23, 0.00310102/step, 2.07527 hours remaining, 233.539062 MB of memory in use. ENERGY: 2590800 3902.7823 20572.6056 14490.6696 251.0235 -203355.4405 2824.2210 0.0000 0.0000 52130.8759 -109183.2625 299.5969 -161314.1384 -108812.4433 299.4565 -114.2303 -89.7616 762710.7239 -0.4391 -0.6201 PRESSURE: 2591000 -280.215 92.7552 -249.434 92.7552 -360.354 69.2273 -249.434 69.2274 -253.357 GPRESSURE: 2591000 -267.728 74.819 -351.225 -65.288 -285.004 -18.263 -144.97 17.5961 -263.982 PRESSAVG: 2591000 -51.4361 -16.117 99.6641 -16.117 50.2437 13.3678 99.664 13.3677 17.1852 GPRESSAVG: 2591000 -50.2896 -13.983 99.4473 -16.9981 49.3558 12.314 99.4696 14.4503 17.7149 TIMING: 2591000 CPU: 8091.85, 0.0031097/step Wall: 8091.85, 0.0031097/step, 2.08091 hours remaining, 233.539062 MB of memory in use. ENERGY: 2591000 4024.5595 20670.0731 14456.4843 256.3465 -203293.8971 2809.6056 0.0000 0.0000 51986.9030 -109089.9251 298.7694 -161076.8281 -108720.1172 299.3017 -297.9752 -272.2380 763682.1900 5.3309 5.5937 PRESSURE: 2591200 -27.1088 -4.61334 -75.3738 -4.61245 349.46 -1.69045 -75.3735 -1.69025 220.931 GPRESSURE: 2591200 -13.2754 30.8257 -2.15947 -91.7774 322.487 60.6651 -3.49552 8.60814 304.996 PRESSAVG: 2591200 -53.6018 -13.293 35.6221 -13.293 50.1106 -6.50779 35.6221 -6.50777 2.83822 GPRESSAVG: 2591200 -54.6232 -14.3204 38.0703 -13.3666 49.9428 -6.22989 33.8621 -5.19067 3.37576 TIMING: 2591200 CPU: 8092.47, 0.00310048/step Wall: 8092.47, 0.00310048/step, 2.07457 hours remaining, 233.539062 MB of memory in use. ENERGY: 2591200 4002.2990 20447.7967 14497.5330 266.4753 -203532.6118 3085.9169 0.0000 0.0000 52071.2529 -109161.3379 299.2542 -161232.5908 -108799.8364 299.4635 181.0942 204.7358 760854.0515 -0.2177 -0.4349 PRESSURE: 2591400 -190.589 -5.01521 176.881 -5.01436 -172.386 -260.678 176.881 -260.678 43.4837 GPRESSURE: 2591400 -125.459 -22.7245 204.164 -64.3327 -181.164 -190.742 63.2888 -226.402 92.6309 PRESSAVG: 2591400 -29.1805 -4.92503 33.1067 -4.92503 -21.6006 -52.3737 33.1067 -52.3737 -8.53385 GPRESSAVG: 2591400 -28.8139 -4.82291 31.6328 -2.46055 -20.4659 -52.9697 35.5279 -52.0122 -9.88243 TIMING: 2591400 CPU: 8093.09, 0.00311418/step Wall: 8093.09, 0.00311418/step, 2.08356 hours remaining, 233.539062 MB of memory in use. ENERGY: 2591400 3925.3687 20724.2804 14455.6428 255.3504 -203186.0101 2643.6778 0.0000 0.0000 52097.8430 -109083.8470 299.4070 -161181.6901 -108720.7949 299.3112 -106.4969 -71.3308 763272.2111 -19.7717 -19.7207 PRESSURE: 2591600 -133.358 -154.715 -258.852 -154.715 140.736 184.392 -258.852 184.391 -203.71 GPRESSURE: 2591600 -67.9229 -148.522 -269.096 -69.847 59.3347 117.145 -179.476 180.502 -121.692 PRESSAVG: 2591600 -25.9649 -4.24979 -7.25497 -4.2498 6.57914 -36.3156 -7.25497 -36.3156 -5.40753 GPRESSAVG: 2591600 -25.3115 -2.02225 -6.3107 -5.73371 5.86327 -36.4175 -7.95108 -37.1453 -5.26281 TIMING: 2591600 CPU: 8093.71, 0.00309834/step Wall: 8093.71, 0.00309834/step, 2.07279 hours remaining, 233.539062 MB of memory in use. ENERGY: 2591600 3980.2207 20448.6161 14427.7211 253.7460 -203332.7758 2699.3877 0.0000 0.0000 52276.5154 -109246.5687 300.4339 -161523.0841 -108882.6758 299.3668 -65.4439 -43.4268 761311.0368 -8.2644 -8.2370 PRESSURE: 2591800 -431.797 188.002 -78.3436 188.002 -409.887 158.277 -78.3443 158.276 13.0298 GPRESSURE: 2591800 -460.957 162.515 -166.094 9.24893 -330.128 116.979 -68.1638 65.2703 46.6341 PRESSAVG: 2591800 -64.6801 31.58 -11.6809 31.5801 18.6027 5.75248 -11.6809 5.75244 24.7407 GPRESSAVG: 2591800 -66.0364 31.6809 -14.6652 29.6395 19.4687 6.51142 -10.2384 4.53989 24.7456 TIMING: 2591800 CPU: 8094.33, 0.00308193/step Wall: 8094.33, 0.00308193/step, 2.06164 hours remaining, 233.539062 MB of memory in use. ENERGY: 2591800 3979.7286 20545.5459 14491.3861 225.5646 -203583.1387 2860.0551 0.0000 0.0000 52004.0819 -109476.7765 298.8682 -161480.8584 -109108.7607 298.9523 -276.2178 -248.1503 761154.8911 -7.1123 -7.2740 PRESSURE: 2592000 24.0803 34.6931 334.911 34.6939 275.081 178.941 334.911 178.939 179.842 GPRESSURE: 2592000 67.8544 23.6647 509.673 39.0619 288.852 188.009 244.25 96.5181 204.872 PRESSAVG: 2592000 -58.7364 -19.0098 31.0466 -19.0098 39.5182 -4.22772 31.0466 -4.22775 9.70074 GPRESSAVG: 2592000 -58.2224 -22.6207 32.5292 -16.0763 38.8646 -3.26077 31.456 -4.23885 9.32524 TIMING: 2592000 CPU: 8094.94, 0.00307463/step Wall: 8094.94, 0.00307463/step, 2.05659 hours remaining, 233.539062 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: 2592000 3929.2443 20542.9192 14405.9942 255.6352 -203545.9391 2996.1914 0.0000 0.0000 51882.1041 -109533.8508 298.1672 -161415.9549 -109169.3376 298.4225 159.6676 187.1927 761078.8017 -3.1725 -3.3442 PRESSURE: 2592200 105.404 -65.0095 90.8722 -65.0094 235.212 -112.28 90.8726 -112.28 442.918 GPRESSURE: 2592200 219.875 -70.5363 157.253 -42.161 222.785 -102.711 22.8344 -92.3214 429.826 PRESSAVG: 2592200 -9.23262 52.6245 -0.91841 52.6244 -3.44097 8.46777 -0.91836 8.46774 -7.2986 GPRESSAVG: 2592200 -10.3424 52.9445 -0.000595188 51.5706 -3.96151 6.79002 -1.81827 8.93145 -5.87335 TIMING: 2592200 CPU: 8095.56, 0.00308692/step Wall: 8095.56, 0.00308692/step, 2.06464 hours remaining, 233.539062 MB of memory in use. ENERGY: 2592200 3967.3154 20644.5655 14423.9593 240.1595 -203599.4956 2948.4923 0.0000 0.0000 52128.6962 -109246.3075 299.5843 -161375.0036 -108893.1991 298.9528 261.1779 290.8286 761467.1634 -6.6574 -6.7258 LDB: ============= START OF LOAD BALANCING ============== 8108.03 LDB: ============== END OF LOAD BALANCING =============== 8108.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8108.04 LDB: ============= START OF LOAD BALANCING ============== 8108.35 LDB: Largest compute 7042 load 0.029700 is 15.2% of average load 0.195153 LDB: Average compute 0.004418 is 2.3% of average load 0.195153 LDB: TIME 8108.35 LOAD: AVG 0.195153 MAX 0.212719 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.105 MB LDB: TIME 8108.35 LOAD: AVG 0.195153 MAX 0.212719 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.309 MB LDB: TIME 8108.35 LOAD: AVG 0.195153 MAX 0.212719 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.309 MB LDB: ============== END OF LOAD BALANCING =============== 8108.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8108.36 PRESSURE: 2592400 -249.053 -68.2228 171.391 -68.2241 297.307 -35.8226 171.391 -35.8226 -138.675 GPRESSURE: 2592400 -167.973 -37.049 135.544 81.8681 272.785 -87.8108 38.3138 -34.8778 -96.1387 PRESSAVG: 2592400 -32.7596 74.0829 32.353 74.0829 15.819 55.6185 32.353 55.6186 15.0344 GPRESSAVG: 2592400 -31.3245 75.0836 30.4572 74.0449 15.191 57.846 30.1683 53.7014 14.4111 TIMING: 2592400 CPU: 8096.19, 0.00316851/step Wall: 8096.19, 0.00316851/step, 2.11903 hours remaining, 235.082031 MB of memory in use. ENERGY: 2592400 3959.7500 20541.5565 14435.7677 252.2619 -202920.5464 2607.0990 0.0000 0.0000 52006.5983 -109117.5128 298.8826 -161124.1112 -108747.5502 299.3109 -30.1405 2.8910 763210.5001 -0.6354 -0.5741 PRESSURE: 2592600 70.4375 96.5702 -33.0998 96.57 198.241 -39.2385 -33.0987 -39.2394 298.998 GPRESSURE: 2592600 99.7718 31.6609 -44.5554 24.4998 222.897 -79.6801 30.3162 -97.6262 325.293 PRESSAVG: 2592600 -7.47209 28.2223 -26.9968 28.2223 -11.4879 -12.6979 -26.9969 -12.6979 0.312318 GPRESSAVG: 2592600 -9.04377 28.1892 -26.9892 27.3426 -10.3942 -14.7816 -23.1192 -11.6296 1.2092 TIMING: 2592600 CPU: 8096.81, 0.00310062/step Wall: 8096.81, 0.00310062/step, 2.07345 hours remaining, 235.285156 MB of memory in use. ENERGY: 2592600 4004.9723 20545.7903 14433.2456 249.2723 -203663.3080 2939.8570 0.0000 0.0000 52253.8014 -109236.3691 300.3033 -161490.1705 -108875.4075 299.1355 189.2255 215.9872 762820.1278 -6.2159 -6.0763 PRESSURE: 2592800 223.483 -101.16 149.437 -101.16 -128.25 139.496 149.437 139.497 26.1776 GPRESSURE: 2592800 252.778 -56.7121 48.4576 -152.631 -17.3673 172.915 128.836 86.579 -28.64 PRESSAVG: 2592800 -21.6332 8.19725 21.1645 8.19726 15.7069 -3.71438 21.1645 -3.71435 24.4462 GPRESSAVG: 2592800 -21.1016 8.81817 21.9965 9.12177 15.5386 -1.60658 18.56 -2.99649 24.4922 TIMING: 2592800 CPU: 8097.43, 0.00310107/step Wall: 8097.43, 0.00310107/step, 2.07359 hours remaining, 235.285156 MB of memory in use. ENERGY: 2592800 4016.9786 20490.7970 14393.8167 246.5547 -203486.6722 3049.1454 0.0000 0.0000 52083.1623 -109206.2175 299.3226 -161289.3798 -108847.4800 298.9011 40.4701 68.9235 762845.5165 6.1733 6.3097 PRESSURE: 2593000 179.358 -166.327 -152.366 -166.328 22.3464 55.5729 -152.366 55.5724 -241.151 GPRESSURE: 2593000 177.028 -185.091 -120.662 -113.253 46.1197 -41.8594 -148.343 68.8256 -191.451 PRESSAVG: 2593000 6.3134 -15.7502 25.77 -15.7502 26.1612 53.1962 25.77 53.1963 2.77876 GPRESSAVG: 2593000 6.06125 -15.6738 24.5016 -16.715 27.032 51.7002 25.8207 53.93 2.34887 TIMING: 2593000 CPU: 8098.05, 0.00311013/step Wall: 8098.05, 0.00311013/step, 2.07947 hours remaining, 235.285156 MB of memory in use. ENERGY: 2593000 4012.8821 20479.8358 14533.7037 250.5647 -203591.8881 3067.2785 0.0000 0.0000 52221.5051 -109026.1183 300.1177 -161247.6234 -108662.8098 299.2959 -13.1489 10.5657 763027.5586 11.7511 11.8140 PRESSURE: 2593200 -145.121 -103.727 -58.2407 -103.727 -426.702 87.1095 -58.2405 87.1097 -200.392 GPRESSURE: 2593200 -158.09 -103.608 -70.2596 -104.928 -263.862 118.698 -75.3517 73.896 -274.058 PRESSAVG: 2593200 -42.7707 -44.374 28.4829 -44.3739 48.8565 31.7566 28.4828 31.7566 -8.56266 GPRESSAVG: 2593200 -42.8294 -43.8756 28.696 -44.0564 48.5616 31.9266 29.8561 30.7876 -8.43465 TIMING: 2593200 CPU: 8098.68, 0.00312064/step Wall: 8098.68, 0.00312064/step, 2.08632 hours remaining, 235.285156 MB of memory in use. ENERGY: 2593200 4038.4412 20356.2052 14436.1477 242.7147 -203304.6901 2805.1230 0.0000 0.0000 52246.1904 -109179.8679 300.2596 -161426.0582 -108818.0845 299.1912 -257.4050 -232.0035 763278.4374 -0.8256 -0.9008 PRESSURE: 2593400 -490.44 35.7963 -249.557 35.7963 -329.175 -163.369 -249.558 -163.369 -354.752 GPRESSURE: 2593400 -446.485 129.372 -176.926 -5.64181 -241.452 -92.5828 -267.315 -243.67 -421.988 PRESSAVG: 2593400 -15.8298 -26.2451 -0.613779 -26.2451 16.9178 42.8907 -0.613711 42.8906 24.6777 GPRESSAVG: 2593400 -15.7023 -27.9376 0.0938907 -24.2456 17.4121 42.6467 -0.808498 43.5021 24.1212 TIMING: 2593400 CPU: 8099.3, 0.00311983/step Wall: 8099.3, 0.00311983/step, 2.0856 hours remaining, 235.285156 MB of memory in use. ENERGY: 2593400 4072.3482 20630.1319 14423.9089 261.5875 -203568.2712 2963.2720 0.0000 0.0000 52099.0157 -109118.0069 299.4138 -161217.0226 -108760.6697 299.4189 -391.4556 -369.9749 762709.7341 8.5886 8.6103 PRESSURE: 2593600 129.825 251.43 50.39 251.43 168.141 297.188 50.3903 297.187 271.732 GPRESSURE: 2593600 191.098 207.881 58.7386 203.715 161.569 268.273 -65.0862 133.516 292.696 PRESSAVG: 2593600 -20.4325 -35.1308 31.7776 -35.1308 40.9406 40.7757 31.7775 40.7758 -1.50353 GPRESSAVG: 2593600 -21.4936 -34.5635 31.1847 -36.9589 40.6336 40.7725 30.8123 40.9217 -0.101597 TIMING: 2593600 CPU: 8099.93, 0.00313995/step Wall: 8099.93, 0.00313995/step, 2.09888 hours remaining, 235.285156 MB of memory in use. ENERGY: 2593600 3983.0617 20528.6224 14470.7249 239.0639 -203243.9499 2924.5232 0.0000 0.0000 51937.4175 -109160.5363 298.4851 -161097.9538 -108805.0449 299.6854 189.8993 215.1209 761714.5452 6.3349 6.3461 PRESSURE: 2593800 -77.5047 0.201156 123.662 0.201437 -207.42 310.365 123.661 310.366 89.1633 GPRESSURE: 2593800 -10.5605 -24.3139 46.8658 58.0026 -210.893 379.148 152.058 277.705 94.9472 PRESSAVG: 2593800 -5.65289 8.25665 4.50283 8.25656 -3.72387 97.2798 4.50285 97.2798 -22.1218 GPRESSAVG: 2593800 -4.30792 8.70786 4.65861 9.18536 -5.23353 98.6019 4.93531 94.7817 -22.3604 TIMING: 2593800 CPU: 8100.55, 0.00311454/step Wall: 8100.55, 0.00311454/step, 2.08172 hours remaining, 235.285156 MB of memory in use. ENERGY: 2593800 4054.0355 20494.9916 14486.3555 238.8296 -203112.3002 2592.9914 0.0000 0.0000 51892.6075 -109352.4891 298.2275 -161245.0966 -108996.4754 299.2808 -65.2538 -42.1689 763073.8853 -10.4995 -10.6340 PRESSURE: 2594000 160.687 -332.542 -112.755 -332.544 51.515 148.504 -112.755 148.505 -55.2637 GPRESSURE: 2594000 143.159 -248.119 -173.978 -396.247 185.492 170.472 -66.2019 32.3057 -99.1911 PRESSAVG: 2594000 -23.5425 -74.3677 21.9004 -74.3678 15.9214 42.7772 21.9004 42.7773 5.01823 GPRESSAVG: 2594000 -24.7014 -75.7694 23.2019 -74.1936 17.6284 41.2072 21.533 43.7557 3.99366 TIMING: 2594000 CPU: 8101.18, 0.00310893/step Wall: 8101.18, 0.00310893/step, 2.0778 hours remaining, 235.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2594000 3940.9449 20351.8123 14478.2930 251.8284 -203191.7606 2747.3772 0.0000 0.0000 52145.5459 -109275.9588 299.6812 -161421.5047 -108910.3366 298.6199 52.3129 76.4868 761014.7128 -0.8676 -1.0265 PRESSURE: 2594200 -23.1199 24.24 48.8018 24.2403 -298.25 33.3745 48.8024 33.3746 -26.6527 GPRESSURE: 2594200 -28.9935 -89.841 46.4155 -22.4276 -268.014 47.2098 23.3319 26.6515 35.9629 PRESSAVG: 2594200 56.4684 -39.5821 -14.3142 -39.5821 -23.4386 27.085 -14.3142 27.085 20.778 GPRESSAVG: 2594200 57.1546 -39.2226 -14.618 -39.4316 -24.6847 29.1406 -12.1839 27.3343 21.0319 TIMING: 2594200 CPU: 8101.8, 0.0030987/step Wall: 8101.8, 0.0030987/step, 2.07079 hours remaining, 235.285156 MB of memory in use. ENERGY: 2594200 4014.7814 20457.7140 14546.1970 225.8095 -203001.8462 2646.4501 0.0000 0.0000 52004.1529 -109106.7413 298.8686 -161110.8942 -108739.1951 299.3339 -116.0076 -87.0149 763431.6287 17.9360 17.8340 PRESSURE: 2594400 -131.329 14.6772 242.655 14.6768 137.484 -316.746 242.655 -316.746 387.576 GPRESSURE: 2594400 -101.006 -89.9891 249.782 -33.1907 193.851 -379.936 214.956 -205.471 402.758 PRESSAVG: 2594400 10.2955 -52.176 5.6768 -52.1759 -11.6575 10.4696 5.67686 10.4696 -14.7361 GPRESSAVG: 2594400 10.2189 -50.9934 5.02673 -52.7544 -12.2945 9.36577 6.46106 11.1686 -14.2433 TIMING: 2594400 CPU: 8102.41, 0.00309673/step Wall: 8102.41, 0.00309673/step, 2.0693 hours remaining, 235.285156 MB of memory in use. ENERGY: 2594400 4043.4993 20340.4754 14504.4579 259.8646 -203331.6035 3048.6795 0.0000 0.0000 51968.8705 -109165.7564 298.6658 -161134.6269 -108805.1140 298.9728 131.2434 165.2008 761899.7110 -5.3660 -5.4396 PRESSURE: 2594600 -136.024 -87.2809 -213.341 -87.2814 151.918 153.544 -213.341 153.544 -78.2864 GPRESSURE: 2594600 -71.2271 -1.93525 -225.809 -175.861 133.998 219.97 -287.457 106.16 -38.6634 PRESSAVG: 2594600 -33.1791 -21.1403 54.0453 -21.1403 37.8669 -48.6971 54.0453 -48.6971 27.6517 GPRESSAVG: 2594600 -34.5845 -21.0423 53.4699 -20.1176 39.8011 -47.9549 52.9655 -48.3628 26.9154 TIMING: 2594600 CPU: 8103.03, 0.00309382/step Wall: 8103.03, 0.00309382/step, 2.06718 hours remaining, 235.285156 MB of memory in use. ENERGY: 2594600 4005.7730 20483.2250 14404.3375 242.1823 -203174.9072 2844.7448 0.0000 0.0000 51966.7353 -109227.9092 298.6535 -161194.6445 -108868.7597 298.9773 -20.7974 8.0359 762201.1292 10.7798 10.7107 PRESSURE: 2594800 15.5033 -78.7573 175.761 -78.7568 -473.607 -25.0947 175.76 -25.0946 -282.238 GPRESSURE: 2594800 80.4306 -61.1694 202.017 -82.8158 -454.897 -45.0965 135.47 -152.503 -263.417 PRESSAVG: 2594800 -34.4673 -8.65666 20.8585 -8.65672 -11.9432 -4.12397 20.8585 -4.12391 19.0396 GPRESSAVG: 2594800 -33.6961 -10.1418 21.5584 -8.74558 -12.3022 -5.07861 18.7383 -5.54725 18.2395 TIMING: 2594800 CPU: 8103.65, 0.00310566/step Wall: 8103.65, 0.00310566/step, 2.07493 hours remaining, 235.285156 MB of memory in use. ENERGY: 2594800 3954.6505 20414.5628 14420.4102 243.2706 -202569.1987 2329.6515 0.0000 0.0000 52109.0567 -109097.5963 299.4715 -161206.6530 -108735.0851 298.6434 -246.7807 -212.6279 763707.9461 -9.1237 -9.2529 PRESSURE: 2595000 -41.7894 34.9555 -39.1708 34.9557 -22.5001 274.112 -39.1707 274.112 -410.925 GPRESSURE: 2595000 50.9158 8.7893 91.9067 69.1101 -47.4711 362.114 -18.4013 231.46 -384.309 PRESSAVG: 2595000 20.8918 -60.5612 3.42995 -60.5613 -24.3348 -26.8553 3.43002 -26.8553 4.94686 GPRESSAVG: 2595000 20.2452 -60.0881 2.91582 -62.9026 -24.6306 -27.3968 6.50749 -26.0299 5.85479 TIMING: 2595000 CPU: 8104.27, 0.00308614/step Wall: 8104.27, 0.00308614/step, 2.06171 hours remaining, 235.285156 MB of memory in use. ENERGY: 2595000 4102.8071 20385.1776 14501.5297 247.3156 -203363.0212 2930.2353 0.0000 0.0000 52068.5154 -109127.4403 299.2385 -161195.9558 -108780.6630 299.2651 -158.4047 -126.9547 762457.0447 0.5013 0.4898 PRESSURE: 2595200 -269.734 68.2211 81.7127 68.2218 -451.875 -55.6588 81.7125 -55.6581 173.811 GPRESSURE: 2595200 -278.936 15.8517 179.664 80.0212 -450.62 -76.2159 66.8756 113.629 268.696 PRESSAVG: 2595200 19.1989 -27.2257 56.7828 -27.2257 -28.5622 -1.48406 56.7828 -1.48407 -8.31173 GPRESSAVG: 2595200 20.3539 -27.7394 57.2224 -24.9855 -29.881 -0.730447 57.8099 -1.02792 -8.28972 TIMING: 2595200 CPU: 8104.89, 0.00309261/step Wall: 8104.89, 0.00309261/step, 2.06586 hours remaining, 235.285156 MB of memory in use. ENERGY: 2595200 3996.2042 20477.3712 14428.4028 244.9617 -203087.4316 2702.0010 0.0000 0.0000 51851.9482 -109386.5426 297.9939 -161238.4908 -109027.6419 298.5511 -182.5996 -153.6198 763852.8974 -5.8917 -5.9390 PRESSURE: 2595400 46.5475 -100.98 -160.869 -100.979 -321.253 16.925 -160.869 16.9246 197.19 GPRESSURE: 2595400 -34.9919 -68.5806 -101.356 -51.5145 -91.3188 -51.6445 -154.954 9.94149 98.4249 PRESSAVG: 2595400 8.31813 -36.3466 29.7846 -36.3466 32.0179 -8.87023 29.7846 -8.87027 10.7924 GPRESSAVG: 2595400 6.42546 -36 28.9514 -36.3799 33.2654 -9.14342 28.0412 -10.4123 11.1912 TIMING: 2595400 CPU: 8105.51, 0.0030998/step Wall: 8105.51, 0.0030998/step, 2.07049 hours remaining, 235.285156 MB of memory in use. ENERGY: 2595400 4038.6804 20324.9072 14400.6573 253.4400 -202870.8728 2383.5035 0.0000 0.0000 51763.1591 -109706.5253 297.4836 -161469.6844 -109345.4470 298.1485 -25.8384 -9.2953 762465.2383 17.0428 16.9607 PRESSURE: 2595600 154.697 44.277 -62.0041 44.2766 175.205 79.5469 -62.0042 79.5471 -85.5674 GPRESSURE: 2595600 119.082 -60.0697 -43.2115 48.6608 275.685 100.755 -10.1774 181.436 -60.7463 PRESSAVG: 2595600 10.8724 -72.1192 22.8252 -72.1192 -15.3084 29.0859 22.8252 29.0859 -5.71343 GPRESSAVG: 2595600 13.0979 -72.7737 23.9232 -74.6661 -16.6033 29.2233 22.1913 30.8336 -7.01387 TIMING: 2595600 CPU: 8106.13, 0.00311054/step Wall: 8106.13, 0.00311054/step, 2.0775 hours remaining, 235.285156 MB of memory in use. ENERGY: 2595600 3990.7288 20353.5300 14503.8099 249.7866 -203442.2330 2837.6065 0.0000 0.0000 51906.2208 -109600.5505 298.3058 -161506.7713 -109239.8718 297.8675 81.4448 111.3401 762632.9576 -3.3831 -3.5064 PRESSURE: 2595800 294.621 -1.60556 50.3434 -1.60552 142.652 81.381 50.3428 81.3813 -115.059 GPRESSURE: 2595800 361.141 -45.8575 106.518 -30.5785 132.533 53.9772 139.247 59.8998 -87.3191 PRESSAVG: 2595800 -6.4105 20.3515 42.3974 20.3516 13.1475 38.9097 42.3974 38.9098 8.12954 GPRESSAVG: 2595800 -8.40654 20.3147 42.2774 21.9904 12.9451 40.2361 43.3947 38.8531 9.64325 TIMING: 2595800 CPU: 8106.75, 0.00310724/step Wall: 8106.75, 0.00310724/step, 2.07512 hours remaining, 235.285156 MB of memory in use. ENERGY: 2595800 4012.0042 20494.5815 14423.7432 245.0831 -203812.1468 3043.7118 0.0000 0.0000 51987.1801 -109605.8429 298.7710 -161593.0230 -109248.7539 298.4391 107.4046 135.4517 763028.4602 4.9555 4.7273 PRESSURE: 2596000 -105.624 -28.6827 62.0543 -28.6824 137.207 -189.282 62.054 -189.282 105.159 GPRESSURE: 2596000 49.8757 45.2206 94.5669 116.712 145.238 -170.438 73.0099 -138.65 39.3535 PRESSAVG: 2596000 -59.5116 26.3899 -18.1104 26.3899 -0.257498 -2.38848 -18.1104 -2.38842 -7.95292 GPRESSAVG: 2596000 -59.7754 27.7875 -17.1099 27.6572 1.29088 -5.25711 -19.2393 -0.269927 -9.28185 TIMING: 2596000 CPU: 8107.38, 0.00311282/step Wall: 8107.38, 0.00311282/step, 2.07868 hours remaining, 235.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2596000 4002.8909 20298.7099 14404.0505 228.9282 -203407.2029 3015.1442 0.0000 0.0000 51894.8087 -109562.6705 298.2402 -161457.4792 -109210.0494 298.0929 45.5806 78.1558 762348.8292 -22.5740 -22.5888 PRESSURE: 2596200 251.213 -174.897 104.515 -174.897 129.729 149.289 104.514 149.289 116.723 GPRESSURE: 2596200 259.469 -307.257 127.563 -135.606 261.861 56.4469 104.366 212.417 68.7146 PRESSAVG: 2596200 31.6761 27.1172 2.90944 27.1172 6.93978 -37.011 2.90945 -37.0108 37.112 GPRESSAVG: 2596200 31.3322 24.337 2.02309 28.5882 6.68882 -34.0542 1.77429 -39.3781 38.0243 TIMING: 2596200 CPU: 8108, 0.00310147/step Wall: 8108, 0.00310147/step, 2.07092 hours remaining, 235.285156 MB of memory in use. ENERGY: 2596200 3917.1598 20445.5326 14456.3766 260.8496 -203664.5997 2932.0683 0.0000 0.0000 52031.0010 -109621.6120 299.0229 -161652.6129 -109266.1397 298.1491 165.8882 196.6816 762200.9538 25.2427 25.3484 LDB: ============= START OF LOAD BALANCING ============== 8120.47 LDB: ============== END OF LOAD BALANCING =============== 8120.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8120.47 LDB: ============= START OF LOAD BALANCING ============== 8120.79 LDB: Largest compute 7052 load 0.029080 is 14.9% of average load 0.195074 LDB: Average compute 0.004409 is 2.3% of average load 0.195074 LDB: TIME 8120.79 LOAD: AVG 0.195074 MAX 0.21462 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.367 MB LDB: TIME 8120.79 LOAD: AVG 0.195074 MAX 0.21462 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.434 MB LDB: TIME 8120.79 LOAD: AVG 0.195074 MAX 0.21462 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.434 MB LDB: ============== END OF LOAD BALANCING =============== 8120.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8120.8 PRESSURE: 2596400 205.593 -212.064 26.7751 -212.064 10.8462 35.1086 26.7751 35.1091 222.948 GPRESSURE: 2596400 282.231 -224.073 70.4073 -162.891 47.1047 124.445 -12.6746 -57.2158 186.739 PRESSAVG: 2596400 21.4663 25.1604 16.3654 25.1603 -4.3994 2.45656 16.3654 2.45659 19.6365 GPRESSAVG: 2596400 22.9945 26.3244 15.7739 21.6481 -5.38576 2.95023 19.4785 0.239767 18.9025 TIMING: 2596400 CPU: 8108.63, 0.00316947/step Wall: 8108.63, 0.00316947/step, 2.11615 hours remaining, 233.085938 MB of memory in use. ENERGY: 2596400 3938.1302 20368.7813 14520.4427 251.8009 -203459.1565 2826.3235 0.0000 0.0000 52087.2923 -109466.3856 299.3464 -161553.6779 -109103.2788 298.8928 146.4622 172.0248 762789.9779 12.2345 12.1704 PRESSURE: 2596600 -200.592 170.843 233.006 170.843 -62.035 75.3292 233.005 75.3287 -273.509 GPRESSURE: 2596600 -109.185 225.125 231.491 46.8231 -99.8812 125.785 189.183 6.86683 -231.792 PRESSAVG: 2596600 20.4443 23.4937 100.661 23.4937 0.573425 -33.4042 100.661 -33.4042 1.58813 GPRESSAVG: 2596600 18.9326 25.4752 100.362 23.5863 2.14879 -34.6699 98.8951 -32.3806 1.67948 TIMING: 2596600 CPU: 8109.25, 0.00311085/step Wall: 8109.25, 0.00311085/step, 2.07684 hours remaining, 233.085938 MB of memory in use. ENERGY: 2596600 3997.4823 20501.2333 14489.5215 241.4793 -203288.2360 2853.4513 0.0000 0.0000 51720.6254 -109484.4430 297.2391 -161205.0683 -109130.0312 298.2882 -178.7122 -146.9526 763869.2533 7.5353 7.5870 PRESSURE: 2596800 271.21 11.5611 -168.126 11.5603 17.5379 90.1735 -168.125 90.1729 225.955 GPRESSURE: 2596800 291.242 -54.4136 -114.294 80.3061 42.6377 67.0782 -117.628 192.906 260.625 PRESSAVG: 2596800 -29.5527 5.54733 -17.5802 5.54729 29.3515 -19.4381 -17.5802 -19.4381 -19.2235 GPRESSAVG: 2596800 -28.8144 3.534 -15.3729 7.36655 27.2356 -20.2804 -17.881 -17.6877 -18.2091 TIMING: 2596800 CPU: 8109.87, 0.00309738/step Wall: 8109.87, 0.00309738/step, 2.06767 hours remaining, 233.085938 MB of memory in use. ENERGY: 2596800 3998.2291 20439.7273 14484.8989 240.3958 -203223.8045 2852.2998 0.0000 0.0000 52003.0735 -109205.1800 298.8624 -161208.2535 -108841.5380 298.7965 171.5676 198.1682 762559.6438 -6.4749 -6.5960 PRESSURE: 2597000 -158.028 176.9 -7.01304 176.899 -155.113 18.1045 -7.01286 18.1036 -336.757 GPRESSURE: 2597000 -123.264 144.83 -12.0226 234.944 -78.6579 10.5927 -23.5921 -70.634 -365.605 PRESSAVG: 2597000 -47.5262 13.8112 -15.9207 13.8111 22.5592 47.3594 -15.9207 47.3594 -1.95607 GPRESSAVG: 2597000 -48.3788 15.0602 -18.9951 12.6181 23.8209 48.4166 -14.1388 45.0045 -2.68047 TIMING: 2597000 CPU: 8110.49, 0.00309128/step Wall: 8110.49, 0.00309128/step, 2.06343 hours remaining, 233.085938 MB of memory in use. ENERGY: 2597000 3979.7381 20517.4387 14433.0813 242.6816 -202683.4627 2565.2118 0.0000 0.0000 51837.1643 -109108.1468 297.9089 -160945.3112 -108740.1696 299.0949 -216.6326 -189.1758 764754.3298 -8.9744 -9.0794 PRESSURE: 2597200 -164.272 166.907 9.6899 166.907 -102.541 -31.3459 9.68947 -31.3473 47.0523 GPRESSURE: 2597200 -119.179 157.651 44.0602 200.743 -31.8987 -21.9291 12.752 -109.243 9.00016 PRESSAVG: 2597200 50.4227 1.78339 25.5293 1.78345 -57.6584 0.186739 25.5292 0.186723 30.3136 GPRESSAVG: 2597200 51.7072 2.234 28.1981 0.912625 -57.7892 -0.678603 24.6905 2.10747 29.2393 TIMING: 2597200 CPU: 8111.11, 0.0030947/step Wall: 8111.11, 0.0030947/step, 2.06554 hours remaining, 233.085938 MB of memory in use. ENERGY: 2597200 4007.6552 20481.7176 14441.1792 231.5564 -203121.5379 2906.8061 0.0000 0.0000 51912.8005 -109139.8229 298.3436 -161052.6234 -108785.0596 299.0222 -73.2538 -47.3592 765559.1598 7.6926 7.7191 PRESSURE: 2597400 198.525 68.0857 49.6961 68.0852 69.1695 -3.60146 49.6956 -3.6024 182.577 GPRESSURE: 2597400 172.446 71.7324 63.5351 29.0904 120.242 89.2936 84.6653 108.71 213.197 PRESSAVG: 2597400 1.03135 6.17995 13.171 6.18002 -37.814 -52.6279 13.171 -52.6279 -16.5154 GPRESSAVG: 2597400 0.386126 6.15724 12.1855 5.61402 -38.573 -51.9603 14.138 -53.9529 -15.3061 TIMING: 2597400 CPU: 8111.73, 0.00309417/step Wall: 8111.73, 0.00309417/step, 2.06501 hours remaining, 233.085938 MB of memory in use. ENERGY: 2597400 4023.1144 20580.8621 14486.0321 249.9535 -203220.5229 2593.7013 0.0000 0.0000 52233.8220 -109053.0375 300.1885 -161286.8595 -108687.3842 299.4211 150.0904 168.6283 762260.8885 -17.7660 -17.8310 PRESSURE: 2597600 -214.795 201.893 -97.7429 201.894 143.433 -101.721 -97.7424 -101.72 148.372 GPRESSURE: 2597600 -86.108 102.372 -46.2613 191.413 112.936 -122.876 46.2429 -130.511 124.187 PRESSAVG: 2597600 20.8146 14.187 16.7663 14.187 -46.6994 -49.4025 16.7664 -49.4026 -3.49857 GPRESSAVG: 2597600 21.4219 13.6714 17.4881 16.3023 -45.4383 -49.3219 16.1997 -49.8163 -4.89121 TIMING: 2597600 CPU: 8112.35, 0.00310054/step Wall: 8112.35, 0.00310054/step, 2.0691 hours remaining, 233.085938 MB of memory in use. ENERGY: 2597600 4030.3500 20579.2250 14506.7958 233.2826 -203128.4454 2614.0756 0.0000 0.0000 52100.1075 -109064.6090 299.4200 -161164.7165 -108694.2287 299.4423 25.6699 50.3383 763985.4477 -9.7945 -9.6359 PRESSURE: 2597800 261.714 -76.2364 -189.832 -76.2368 -73.1941 17.6025 -189.833 17.6017 218.299 GPRESSURE: 2597800 313.472 -69.4241 -272.517 -93.9942 -51.1965 4.82892 -54.9571 54.1354 250.79 PRESSAVG: 2597800 48.8634 16.2759 -47.9521 16.2759 -64.4917 -4.02461 -47.9521 -4.0247 -18.4413 GPRESSAVG: 2597800 49.4207 16.9362 -49.7279 15.6021 -65.0442 -4.0027 -47.5958 -2.27485 -18.3977 TIMING: 2597800 CPU: 8112.97, 0.00308687/step Wall: 8112.97, 0.00308687/step, 2.0598 hours remaining, 233.085938 MB of memory in use. ENERGY: 2597800 4028.7403 20481.8073 14564.3464 249.5640 -203453.1190 3071.6290 0.0000 0.0000 52022.9830 -109034.0490 298.9768 -161057.0320 -108683.0858 299.5300 135.6063 171.0218 763121.0615 -11.3565 -11.3404 PRESSURE: 2598000 -56.9083 1.47 -43.1339 1.4696 -51.4678 29.1561 -43.1344 29.1556 77.6783 GPRESSURE: 2598000 -35.5606 17.6516 -10.5016 -17.5709 30.4141 84.3175 -58.3823 -94.9047 74.3576 PRESSAVG: 2598000 43.7558 39.4901 -15.2967 39.4901 -56.6126 8.89477 -15.2967 8.89477 -2.37835 GPRESSAVG: 2598000 41.8016 39.1259 -14.3616 40.4115 -54.8497 8.64337 -16.109 7.21608 -1.93915 TIMING: 2598000 CPU: 8113.59, 0.0030976/step Wall: 8113.59, 0.0030976/step, 2.06679 hours remaining, 233.085938 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: 2598000 4071.5025 20522.6918 14369.7213 238.5083 -203199.0230 2801.6480 0.0000 0.0000 52217.1523 -108977.7989 300.0927 -161194.9511 -108620.9725 299.3385 -10.2326 23.0703 763537.3213 -5.0784 -4.9958 PRESSURE: 2598200 214.739 -31.5049 87.7875 -31.505 -503.243 -18.0497 87.7877 -18.0502 -55.631 GPRESSURE: 2598200 174.274 -49.6256 93.9363 -61.2185 -466.248 -83.6615 194.173 -72.6699 -0.271696 PRESSAVG: 2598200 51.4794 59.4393 -14.5824 59.4392 -68.6118 -6.29125 -14.5824 -6.29125 16.1061 GPRESSAVG: 2598200 52.9555 56.5181 -12.9352 58.5346 -71.0821 -5.91764 -14.4449 -6.51835 16.8913 TIMING: 2598200 CPU: 8114.2, 0.00308698/step Wall: 8114.2, 0.00308698/step, 2.05953 hours remaining, 233.085938 MB of memory in use. ENERGY: 2598200 4034.4542 20655.0199 14450.3134 254.3122 -202870.1896 2601.0857 0.0000 0.0000 51929.4422 -108945.5619 298.4392 -160875.0041 -108577.6063 299.2802 -114.7117 -97.4154 764723.8545 -0.3421 -0.4118 PRESSURE: 2598400 -240.692 43.1141 37.8619 43.1135 -145.236 13.0693 37.8628 13.0691 -92.5584 GPRESSURE: 2598400 -212.047 40.6477 17.3816 31.3793 -31.6378 -45.3073 -87.7503 23.3133 -133.7 PRESSAVG: 2598400 27.605 71.8685 -7.74366 71.8684 -41.978 -43.5644 -7.7437 -43.5644 8.43577 GPRESSAVG: 2598400 27.4137 73.2377 -10.388 71.6541 -41.0741 -43.8669 -8.37036 -42.6186 7.66973 TIMING: 2598400 CPU: 8114.82, 0.00308736/step Wall: 8114.82, 0.00308736/step, 2.05961 hours remaining, 233.085938 MB of memory in use. ENERGY: 2598400 3985.9597 20500.8636 14388.8092 236.5470 -202936.0616 2634.8157 0.0000 0.0000 52240.1140 -108948.9524 300.2247 -161189.0664 -108586.1942 299.3392 -159.4953 -125.7949 763522.7078 -1.9791 -1.9969 PRESSURE: 2598600 123.049 115.098 282.81 115.098 46.1477 -16.0385 282.81 -16.0382 -179.906 GPRESSURE: 2598600 102.487 69.3922 271.579 122.396 146.862 -88.9957 202.195 -142.635 -175.156 PRESSAVG: 2598600 53.0583 41.1587 26.4422 41.1586 -17.582 -32.8667 26.4422 -32.8666 1.12175 GPRESSAVG: 2598600 52.4839 42.837 27.0438 40.6893 -17.3625 -33.6209 26.2841 -32.0768 1.886 TIMING: 2598600 CPU: 8115.44, 0.00308439/step Wall: 8115.44, 0.00308439/step, 2.05746 hours remaining, 233.085938 MB of memory in use. ENERGY: 2598600 3962.8751 20503.5081 14499.4763 253.6893 -202948.4102 2713.8452 0.0000 0.0000 52197.8330 -108817.1833 299.9817 -161015.0163 -108452.3881 299.7401 -3.5697 24.7310 765615.6622 12.1993 12.3358 PRESSURE: 2598800 -164.086 189.083 -76.6744 189.084 -290.149 113.436 -76.6752 113.436 76.1719 GPRESSURE: 2598800 -148.802 197.268 -85.7185 269.165 -191.097 110.384 -32.1097 170.936 43.8985 PRESSAVG: 2598800 60.4979 21.3718 -19.919 21.3718 -72.9314 -24.4603 -19.919 -24.4603 9.22692 GPRESSAVG: 2598800 60.6456 21.3304 -19.7047 20.9796 -73.2323 -23.7891 -19.5589 -24.6623 8.8274 TIMING: 2598800 CPU: 8116.06, 0.00311904/step Wall: 8116.06, 0.00311904/step, 2.0804 hours remaining, 233.085938 MB of memory in use. ENERGY: 2598800 4048.5474 20566.6109 14489.2979 231.7786 -203093.8515 2831.0938 0.0000 0.0000 52104.6657 -108821.8572 299.4462 -160926.5229 -108455.9159 299.7267 -126.0213 -98.6668 766380.2811 -1.0689 -1.2531 PRESSURE: 2599000 466.232 117.517 -205.5 117.516 225.276 -67.7926 -205.5 -67.7934 182.632 GPRESSURE: 2599000 433.335 113.549 -154.904 94.1566 367.724 -55.8061 -187.523 -0.218891 171.479 PRESSAVG: 2599000 -37.1494 50.2652 -9.8191 50.2653 30.3475 2.47943 -9.81905 2.47946 -11.327 GPRESSAVG: 2599000 -36.5864 49.5031 -9.76157 50.8392 30.6315 4.07233 -10.4777 1.34431 -12.1131 TIMING: 2599000 CPU: 8116.68, 0.00311908/step Wall: 8116.68, 0.00311908/step, 2.08025 hours remaining, 233.085938 MB of memory in use. ENERGY: 2599000 4049.3104 20657.7993 14415.9934 251.7185 -203558.4118 3155.6451 0.0000 0.0000 52031.3154 -108996.6297 299.0247 -161027.9451 -108647.0056 299.2482 291.3798 324.1790 763979.0293 -6.0430 -6.0227 PRESSURE: 2599200 310.793 -61.3873 -36.8718 -61.3877 -72.4907 -230.898 -36.8719 -230.897 -419.709 GPRESSURE: 2599200 311.769 -18.232 3.72022 42.0657 -24.1035 -179.668 -37.9683 -109.5 -368.022 PRESSAVG: 2599200 33.0482 2.72675 -32.996 2.72673 12.0104 33.6883 -32.9959 33.6883 9.8411 GPRESSAVG: 2599200 33.4942 0.060553 -33.5548 4.73997 11.119 34.2342 -32.8472 31.2484 10.1911 TIMING: 2599200 CPU: 8117.31, 0.00310559/step Wall: 8117.31, 0.00310559/step, 2.07108 hours remaining, 233.085938 MB of memory in use. ENERGY: 2599200 3945.6874 20485.9430 14444.7567 256.6942 -203116.1751 2739.2496 0.0000 0.0000 52301.5140 -108942.3301 300.5775 -161243.8441 -108564.4429 299.7528 -60.4688 -26.7855 764656.6196 18.2999 18.2681 PRESSURE: 2599400 444.764 -11.4289 -4.42472 -11.428 -237.852 -67.7385 -4.42429 -67.739 -10.7111 GPRESSURE: 2599400 387.105 90.4424 18.8703 -14.552 -115.793 -90.0386 47.2077 -23.2205 3.63449 PRESSAVG: 2599400 -14.4253 24.8322 -27.5654 24.8322 -35.3879 39.0506 -27.5654 39.0507 -13.4549 GPRESSAVG: 2599400 -15.4919 28.1407 -24.9119 21.3531 -35.0456 37.143 -27.4447 42.5113 -12.8099 TIMING: 2599400 CPU: 8117.92, 0.00309526/step Wall: 8117.92, 0.00309526/step, 2.06402 hours remaining, 233.085938 MB of memory in use. ENERGY: 2599400 4005.4670 20588.3314 14489.6975 244.9305 -203146.2410 2783.2248 0.0000 0.0000 52229.1340 -108805.4557 300.1616 -161034.5897 -108440.9460 300.0407 65.4004 91.6489 764566.4370 -21.0894 -21.1158 PRESSURE: 2599600 58.8728 185.355 122.262 185.356 -174.322 -61.7204 122.262 -61.7219 -312.517 GPRESSURE: 2599600 77.3121 120.533 101.141 146.333 -134.342 -41.7338 186.165 -112.175 -292.863 PRESSAVG: 2599600 -13.8007 59.6066 -13.3902 59.6065 25.1069 -9.36856 -13.3903 -9.36855 -26.5962 GPRESSAVG: 2599600 -14.3227 60.0915 -15.8256 61.684 25.2289 -10.2106 -11.631 -9.79882 -26.3769 TIMING: 2599600 CPU: 8118.54, 0.00308872/step Wall: 8118.54, 0.00308872/step, 2.05949 hours remaining, 233.085938 MB of memory in use. ENERGY: 2599600 4071.1917 20565.6886 14495.1698 244.0364 -203288.4383 2839.3880 0.0000 0.0000 52331.6062 -108741.3577 300.7505 -161072.9639 -108371.1269 300.1544 -142.6554 -116.6310 764091.1549 -5.0966 -5.1569 PRESSURE: 2599800 -82.9367 103.377 23.2307 103.378 -164.636 -170.273 23.2304 -170.272 87.9724 GPRESSURE: 2599800 -22.26 -54.9707 -91.0711 195.4 -116.79 -107.799 34.5438 -61.972 53.253 PRESSAVG: 2599800 41.2025 71.9951 -37.5154 71.9951 -64.6516 -36.2435 -37.5153 -36.2436 19.5569 GPRESSAVG: 2599800 41.7764 70.2451 -37.2214 71.5496 -64.967 -34.7021 -37.1359 -36.8329 19.244 TIMING: 2599800 CPU: 8119.17, 0.00312138/step Wall: 8119.17, 0.00312138/step, 2.08109 hours remaining, 233.085938 MB of memory in use. ENERGY: 2599800 4047.9006 20579.1083 14505.1663 243.5545 -203063.7254 2806.0483 0.0000 0.0000 52165.5683 -108716.3792 299.7962 -160881.9475 -108362.6850 300.0398 -53.2002 -28.5990 764548.1068 -1.2974 -1.3155 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2600000 WRITING COORDINATES TO RESTART FILE AT STEP 2600000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2600000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2600000 -150.501 -42.906 -17.7465 -42.9049 -42.4773 -123.46 -17.7464 -123.46 -297.591 GPRESSURE: 2600000 -166.794 -4.7865 -31.9652 -115.099 -23.3326 -125.754 -20.3851 -257.962 -244.8 PRESSAVG: 2600000 -10.3168 11.2883 -21.8509 11.2883 0.470633 13.156 -21.8509 13.156 -1.71265 GPRESSAVG: 2600000 -11.4059 10.2959 -21.2828 14.1705 1.64139 11.0191 -23.3253 12.3142 -2.24884 TIMING: 2600000 CPU: 8119.81, 0.0031979/step Wall: 8119.81, 0.0031979/step, 2.13193 hours remaining, 233.085938 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: 2600000 4031.7719 20485.1232 14483.0913 225.3876 -202771.5121 2573.7871 0.0000 0.0000 52145.4733 -108826.8778 299.6808 -160972.3511 -108470.2018 299.9132 -163.5230 -144.9754 764839.8157 -3.8529 -4.0044 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2600000 PRESSURE: 2600200 416.949 68.2646 -208.376 68.2634 370.141 -18.9157 -208.376 -18.9156 -109.253 GPRESSURE: 2600200 436.251 71.8924 -125.73 90.6147 386.547 -64.0148 -232.421 -7.97274 -61.6116 PRESSAVG: 2600200 33.6981 -25.6111 -16.2822 -25.6111 -0.739478 19.4881 -16.2822 19.488 6.03725 GPRESSAVG: 2600200 34.6472 -23.5379 -17.3625 -27.0189 -2.6154 21.8183 -14.4316 20.487 7.03105 TIMING: 2600200 CPU: 8120.43, 0.0031113/step Wall: 8120.43, 0.0031113/step, 2.07402 hours remaining, 233.085938 MB of memory in use. ENERGY: 2600200 3979.5502 20822.0237 14399.1415 245.5429 -203283.8218 3074.8459 0.0000 0.0000 52059.8503 -108702.8671 299.1887 -160762.7174 -108350.1685 300.1626 225.9457 253.7287 763306.1248 12.9986 13.0210 LDB: ============= START OF LOAD BALANCING ============== 8132.9 LDB: ============== END OF LOAD BALANCING =============== 8132.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8132.91 LDB: ============= START OF LOAD BALANCING ============== 8133.22 LDB: Largest compute 7064 load 0.030624 is 15.7% of average load 0.195175 LDB: Average compute 0.004403 is 2.3% of average load 0.195175 LDB: TIME 8133.22 LOAD: AVG 0.195175 MAX 0.214942 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.879 MB LDB: TIME 8133.22 LOAD: AVG 0.195175 MAX 0.214942 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.879 MB LDB: TIME 8133.22 LOAD: AVG 0.195175 MAX 0.214942 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.879 MB LDB: ============== END OF LOAD BALANCING =============== 8133.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8133.23 PRESSURE: 2600400 15.6899 111.119 -39.8892 111.118 -188.281 -127.891 -39.8893 -127.891 400.31 GPRESSURE: 2600400 -37.429 143.078 -36.0437 37.9396 -90.9335 -126.309 19.6127 -172.64 461.491 PRESSAVG: 2600400 1.27152 72.0186 -46.6715 72.0186 -9.12131 -20.1602 -46.6716 -20.1602 -2.17786 GPRESSAVG: 2600400 1.03837 72.6697 -46.443 71.0444 -8.13559 -21.4352 -46.7227 -21.7367 -2.8011 TIMING: 2600400 CPU: 8121.06, 0.00315888/step Wall: 8121.06, 0.00315888/step, 2.10557 hours remaining, 234.109375 MB of memory in use. ENERGY: 2600400 4050.6753 20656.9073 14474.8618 239.8133 -202771.0757 2847.9389 0.0000 0.0000 51810.5671 -108690.3120 297.7560 -160500.8791 -108329.9979 299.7344 75.9061 111.0429 763048.3884 -3.3425 -3.2994 PRESSURE: 2600600 -296.225 -4.71146 -5.37985 -4.71129 79.6863 -221.447 -5.37993 -221.449 -33.6418 GPRESSURE: 2600600 -262.828 -29.8137 62.948 45.2492 106.751 -180.73 188.999 -217.498 -2.76582 PRESSAVG: 2600600 48.7241 21.637 43.6789 21.637 -8.07436 -20.2342 43.6789 -20.2342 16.2913 GPRESSAVG: 2600600 49.5823 19.5242 44.3626 22.9632 -8.68646 -19.418 42.8113 -20.1889 16.3145 TIMING: 2600600 CPU: 8121.68, 0.00309006/step Wall: 8121.68, 0.00309006/step, 2.05952 hours remaining, 234.109375 MB of memory in use. ENERGY: 2600600 4062.2964 20609.5957 14461.0491 271.7717 -202880.6772 2838.6663 0.0000 0.0000 52099.5596 -108537.7383 299.4169 -160637.2979 -108182.2278 300.5023 -83.3934 -52.9477 763890.8222 18.9803 19.0701 PRESSURE: 2600800 -61.7122 -213.071 -248.465 -213.07 161.663 89.0537 -248.465 89.0539 291.292 GPRESSURE: 2600800 -16.2431 -58.9 -225.201 -210.637 160.742 171.522 -128.37 80.9685 328.512 PRESSAVG: 2600800 -35.5985 61.2131 -17.5243 61.2131 19.0232 -28.5874 -17.5243 -28.5874 -10.2911 GPRESSAVG: 2600800 -36.7365 62.8544 -18.5559 61.5991 20.0398 -29.4868 -17.3375 -26.7239 -10.312 TIMING: 2600800 CPU: 8122.3, 0.00310588/step Wall: 8122.3, 0.00310588/step, 2.0699 hours remaining, 234.109375 MB of memory in use. ENERGY: 2600800 3999.4184 20442.3707 14432.5965 255.0194 -203276.2570 3086.5223 0.0000 0.0000 52282.9975 -108777.3322 300.4711 -161060.3297 -108407.2970 299.8730 130.4143 157.6701 764352.3272 -8.9555 -9.0029 PRESSURE: 2601000 117.818 -81.7116 127.799 -81.7122 -435.443 -178.3 127.798 -178.301 -156.913 GPRESSURE: 2601000 156.789 20.0519 66.7264 43.1599 -355.189 -187.067 -26.7853 -183.172 -203.796 PRESSAVG: 2601000 1.35232 11.6145 -13.0835 11.6146 -6.27384 -27.4007 -13.0835 -27.4008 18.9146 GPRESSAVG: 2601000 1.43692 11.8503 -12.4496 10.8245 -6.41324 -26.9766 -13.8152 -28.6585 18.9365 TIMING: 2601000 CPU: 8122.92, 0.00311933/step Wall: 8122.92, 0.00311933/step, 2.07869 hours remaining, 234.109375 MB of memory in use. ENERGY: 2601000 4072.3467 20578.2799 14483.1407 255.2673 -203081.7898 2570.4223 0.0000 0.0000 52357.4248 -108764.9080 300.8988 -161122.3328 -108404.0744 300.2639 -158.1793 -134.0655 764174.5629 4.6644 4.6534 PRESSURE: 2601200 -433.003 34.7821 -276.617 34.782 117.054 -50.9698 -276.617 -50.969 -153.588 GPRESSURE: 2601200 -350.886 -21.8602 -188.54 182.672 153.59 -84.503 -247.653 -122.406 -172.669 PRESSAVG: 2601200 -42.4829 51.4224 -35.1765 51.4225 17.5684 -16.2612 -35.1765 -16.2613 -11.8533 GPRESSAVG: 2601200 -41.4506 51.2783 -33.2565 50.555 17.1923 -16.4551 -37.166 -15.6534 -12.38 TIMING: 2601200 CPU: 8123.54, 0.00308772/step Wall: 8123.54, 0.00308772/step, 2.05745 hours remaining, 234.109375 MB of memory in use. ENERGY: 2601200 3948.3243 20548.5340 14547.1149 237.8858 -202837.7634 2593.4198 0.0000 0.0000 52221.7480 -108740.7364 300.1191 -160962.4845 -108375.0537 300.1260 -156.5125 -123.3218 762646.7098 -12.2559 -12.2127 PRESSURE: 2601400 -126.604 42.9456 -113.241 42.945 105.49 -21.0204 -113.241 -21.0204 -128.453 GPRESSURE: 2601400 -136.407 62.3747 -128.986 1.69146 86.5027 54.014 -35.786 58.0761 -16.5902 PRESSAVG: 2601400 -35.2167 48.9461 -6.05367 48.9461 17.3087 20.0669 -6.05372 20.067 3.88798 GPRESSAVG: 2601400 -37.1017 47.3802 -8.85751 48.8497 17.3151 20.5956 -4.06609 20.0196 6.09011 TIMING: 2601400 CPU: 8124.16, 0.00309513/step Wall: 8124.16, 0.00309513/step, 2.06222 hours remaining, 234.109375 MB of memory in use. ENERGY: 2601400 4017.5293 20611.9627 14411.3890 243.4954 -203033.9127 2685.7860 0.0000 0.0000 52364.9153 -108698.8349 300.9419 -161063.7502 -108345.3046 299.9220 -49.8557 -22.1648 761971.6849 -4.6733 -4.5655 PRESSURE: 2601600 172.832 28.7993 -76.159 28.7998 253.596 -59.9487 -76.1597 -59.9484 -229.865 GPRESSURE: 2601600 259.8 67.9584 -104.291 77.8803 260.699 -74.138 -71.1444 -72.6642 -236.211 PRESSAVG: 2601600 13.5184 14.7362 25.2935 14.7361 -22.0596 3.05433 25.2935 3.05431 9.12361 GPRESSAVG: 2601600 13.8216 15.6233 25.6053 14.811 -21.1676 2.8206 26.252 3.10316 8.28995 TIMING: 2601600 CPU: 8124.78, 0.00309591/step Wall: 8124.78, 0.00309591/step, 2.06257 hours remaining, 234.109375 MB of memory in use. ENERGY: 2601600 3981.3944 20622.4679 14463.3843 251.4818 -202840.2893 2664.2337 0.0000 0.0000 52217.1422 -108640.1849 300.0926 -160857.3272 -108280.8936 300.5289 65.5210 94.7627 760731.0696 0.1941 0.3146 PRESSURE: 2601800 -55.3343 -33.5779 -88.7999 -33.5782 72.2324 70.7895 -88.7996 70.7897 -311.125 GPRESSURE: 2601800 -18.6875 -49.2461 -101.862 -2.48149 90.4717 102.508 -222.502 -32.537 -259.405 PRESSAVG: 2601800 58.3997 30.0953 21.0173 30.0953 -68.5183 -25.7916 21.0173 -25.7916 7.53129 GPRESSAVG: 2601800 59.1421 29.9435 22.3077 31.7662 -70.354 -26.0436 19.9793 -24.834 8.47538 TIMING: 2601800 CPU: 8125.4, 0.00311057/step Wall: 8125.4, 0.00311057/step, 2.07216 hours remaining, 234.109375 MB of memory in use. ENERGY: 2601800 3995.3680 20546.0960 14361.6001 250.7873 -202998.7219 2751.3133 0.0000 0.0000 52316.0959 -108777.4613 300.6613 -161093.5572 -108408.7365 299.9774 -98.0755 -62.5402 762650.9643 -0.8624 -0.9122 PRESSURE: 2602000 57.9403 77.7924 -162.543 77.793 -226.855 59.0186 -162.544 59.0175 -206.448 GPRESSURE: 2602000 101.423 68.8993 -69.3784 58.995 -284.801 77.2825 -96.1827 143.488 -93.743 PRESSAVG: 2602000 40.493 7.80447 -48.2149 7.80446 -61.9459 50.5427 -48.2149 50.5427 -1.82179 GPRESSAVG: 2602000 40.7931 8.33851 -46.4135 4.7696 -61.4776 50.5517 -46.9425 50.3291 -2.62741 TIMING: 2602000 CPU: 8126.02, 0.00311315/step Wall: 8126.02, 0.00311315/step, 2.0737 hours remaining, 234.109375 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: 2602000 3967.5816 20554.2221 14396.9545 236.0752 -203273.4504 3061.5129 0.0000 0.0000 52139.0031 -108918.1008 299.6436 -161057.1040 -108556.3403 299.6848 -125.1209 -92.3736 763417.9439 -7.7582 -7.7706 PRESSURE: 2602200 -64.1659 145.811 268.614 145.811 -77.7866 -75.1262 268.614 -75.1252 105.331 GPRESSURE: 2602200 -104.821 83.7588 191.335 281.001 72.2017 -19.8549 252.651 -43.031 61.7044 PRESSAVG: 2602200 14.0376 -10.2782 7.62316 -10.2782 -11.2321 14.9567 7.62324 14.9567 2.61578 GPRESSAVG: 2602200 13.6692 -10.0762 5.56887 -7.15465 -10.3629 15.7531 6.22921 15.4148 2.24573 TIMING: 2602200 CPU: 8126.65, 0.00310848/step Wall: 8126.65, 0.00310848/step, 2.07042 hours remaining, 234.109375 MB of memory in use. ENERGY: 2602200 4044.1071 20534.2257 14439.0320 259.4669 -202679.0010 2588.6485 0.0000 0.0000 51949.0632 -108864.4576 298.5520 -160813.5209 -108501.2349 299.5036 -12.2071 9.6949 763067.2105 1.8071 1.8507 PRESSURE: 2602400 -131.048 -67.3582 -302.004 -67.3575 -30.3282 61.4365 -302.004 61.4361 36.386 GPRESSURE: 2602400 -128.043 -135.958 -197.58 -11.103 -33.5266 60.256 -253.906 128.774 135.08 PRESSAVG: 2602400 -10.8657 2.43966 -54.2319 2.43968 46.8918 17.8014 -54.2318 17.8013 -13.0099 GPRESSAVG: 2602400 -12.2126 3.06488 -53.2336 0.191705 46.479 15.1564 -54.5061 17.7518 -11.2478 TIMING: 2602400 CPU: 8127.27, 0.00313791/step Wall: 8127.27, 0.00313791/step, 2.08985 hours remaining, 234.109375 MB of memory in use. ENERGY: 2602400 4034.8106 20664.2366 14444.3696 247.3474 -203013.7547 2798.2164 0.0000 0.0000 51695.8144 -109128.9597 297.0966 -160824.7741 -108779.7328 299.5541 -41.6634 -8.8297 762551.0442 7.6720 7.6729 PRESSURE: 2602600 -269.068 -8.15398 176.946 -8.15413 -1.66576 -129.072 176.946 -129.071 -121.795 GPRESSURE: 2602600 -237.275 -3.86142 135.429 -132.809 -15.0092 -123.632 253.632 -139.792 -78.5799 PRESSAVG: 2602600 -37.7429 60.9914 3.86248 60.9914 7.86444 49.0077 3.86248 49.0077 10.8405 GPRESSAVG: 2602600 -36.7096 60.8693 2.20198 62.625 7.56981 50.0148 6.57057 49.246 9.80844 TIMING: 2602600 CPU: 8127.9, 0.00314754/step Wall: 8127.9, 0.00314754/step, 2.09608 hours remaining, 234.109375 MB of memory in use. ENERGY: 2602600 4011.6215 20515.9926 14395.1145 244.8300 -202873.8685 2486.6565 0.0000 0.0000 52081.5826 -109138.0708 299.3136 -161219.6534 -108786.8012 298.9875 -130.8430 -110.2882 762799.6308 -6.3460 -6.4438 PRESSURE: 2602800 43.2392 -118.202 141.655 -118.202 26.5105 -32.4344 141.655 -32.4355 -214.415 GPRESSURE: 2602800 9.95598 -30.2008 222.442 -79.3023 11.6346 -97.1145 118.288 29.1352 -90.7382 PRESSAVG: 2602800 -72.5144 19.5294 23.9471 19.5294 30.3106 -3.02481 23.9471 -3.02481 4.02922 GPRESSAVG: 2602800 -73.0573 20.9892 23.5571 18.1977 30.9474 -3.0954 22.9048 -3.82418 3.90452 TIMING: 2602800 CPU: 8128.53, 0.00313931/step Wall: 8128.53, 0.00313931/step, 2.09043 hours remaining, 234.109375 MB of memory in use. ENERGY: 2602800 4034.6253 20573.9208 14467.6384 245.4263 -203331.1386 2902.5354 0.0000 0.0000 52014.9393 -109092.0530 298.9306 -161106.9923 -108730.9644 299.1193 -48.2219 -23.0492 762095.3630 -12.7248 -12.7351 PRESSURE: 2603000 139.6 -67.5768 213.776 -67.5768 -2.31702 -115.075 213.777 -115.074 116.077 GPRESSURE: 2603000 212 -35.7883 136.398 -40.981 24.9283 -114.293 195.521 -10.5016 87.7158 PRESSAVG: 2603000 28.4337 -12.1271 26.5719 -12.1272 -11.2934 24.5199 26.572 24.52 -3.71127 GPRESSAVG: 2603000 28.69 -13.254 26.4961 -11.4402 -11.2836 25.6417 24.7213 24.717 -3.83203 TIMING: 2603000 CPU: 8129.16, 0.00314782/step Wall: 8129.16, 0.00314782/step, 2.09593 hours remaining, 234.109375 MB of memory in use. ENERGY: 2603000 4005.6203 20469.5570 14433.7294 231.8911 -202922.3718 2602.6898 0.0000 0.0000 52047.4176 -109131.4666 299.1172 -161178.8842 -108765.8798 298.9203 84.4535 108.2148 763888.2856 4.4763 4.5248 PRESSURE: 2603200 63.8884 -240.404 -138.591 -240.403 -387.494 43.9207 -138.59 43.9208 -223.895 GPRESSURE: 2603200 115.134 -291.305 -96.2931 -170.65 -342.049 86.9946 -25.8513 4.67868 -257.018 PRESSAVG: 2603200 36.2873 -5.89838 -25.7214 -5.89845 -28.9315 12.5364 -25.7214 12.5364 15.9937 GPRESSAVG: 2603200 36.3456 -5.72452 -25.9849 -5.63797 -28.5614 11.1129 -23.6156 14.442 15.6728 TIMING: 2603200 CPU: 8129.79, 0.00312548/step Wall: 8129.79, 0.00312548/step, 2.08088 hours remaining, 234.109375 MB of memory in use. ENERGY: 2603200 3978.4481 20710.7339 14464.6203 257.3049 -203191.6135 2806.4559 0.0000 0.0000 51979.4914 -108994.5590 298.7269 -160974.0504 -108636.6309 299.2597 -182.5003 -161.3111 763890.1409 7.7832 7.8190 PRESSURE: 2603400 128.487 -91.5025 -69.8615 -91.5035 -94.5546 -133.192 -69.861 -133.192 -395.228 GPRESSURE: 2603400 157.456 -174.375 -74.3911 -128.732 -75.5648 -197.702 -6.59524 -99.2296 -358.953 PRESSAVG: 2603400 16.7783 22.8835 2.27457 22.8835 -17.823 5.0712 2.27466 5.07116 0.985321 GPRESSAVG: 2603400 17.7421 22.1193 3.74508 21.8308 -19.0749 7.72893 2.37198 3.17972 1.59547 TIMING: 2603400 CPU: 8130.41, 0.00313892/step Wall: 8130.41, 0.00313892/step, 2.08965 hours remaining, 234.109375 MB of memory in use. ENERGY: 2603400 4039.7415 20481.0083 14474.5718 261.8629 -202935.1592 2556.5938 0.0000 0.0000 52226.7023 -108894.6787 300.1476 -161121.3809 -108529.7154 299.5470 -120.4319 -92.3539 763676.4652 -0.0198 0.0875 PRESSURE: 2603600 -269.515 -63.1897 -34.8216 -63.1896 -220.581 86.9295 -34.8214 86.93 13.2633 GPRESSURE: 2603600 -186.327 -25.7349 -43.2818 -54.4059 -231.71 52.5146 -68.3231 -1.88684 35.3058 PRESSAVG: 2603600 -2.32728 1.17005 -14.4839 1.17003 -16.9196 -21.7067 -14.4839 -21.7067 -6.28308 GPRESSAVG: 2603600 -2.39131 2.09042 -15.0459 2.10804 -17.595 -23.5009 -16.4385 -20.9425 -5.81624 TIMING: 2603600 CPU: 8131.04, 0.00313896/step Wall: 8131.04, 0.00313896/step, 2.0895 hours remaining, 234.109375 MB of memory in use. ENERGY: 2603600 4065.1055 20620.8580 14385.5354 243.8886 -203085.6241 2644.3494 0.0000 0.0000 52145.7430 -108980.1442 299.6823 -161125.8872 -108617.5641 299.4205 -158.9444 -127.5772 763996.9235 -8.5100 -8.6009 PRESSURE: 2603800 -144.639 -16.8456 -101.642 -16.8454 421.245 -55.0595 -101.641 -55.0588 318.004 GPRESSURE: 2603800 -127.46 30.376 -4.75005 45.6696 482.906 -75.4993 -171.864 -118.649 333.671 PRESSAVG: 2603800 -29.6995 -39.1737 -22.6634 -39.1737 -12.4082 13.6557 -22.6635 13.6556 -21.6989 GPRESSAVG: 2603800 -29.5556 -37.7068 -21.4813 -39.0174 -11.5083 16.0105 -20.6137 13.5988 -22.5751 TIMING: 2603800 CPU: 8131.67, 0.00314129/step Wall: 8131.67, 0.00314129/step, 2.09088 hours remaining, 234.109375 MB of memory in use. ENERGY: 2603800 3948.3150 20475.7072 14381.9404 238.6663 -203602.8935 3092.9155 0.0000 0.0000 52112.2767 -109353.0726 299.4900 -161465.3492 -108983.9663 299.1387 198.2035 229.7058 763396.3170 -21.2689 -21.2130 PRESSURE: 2604000 -22.8392 -82.5261 -60.2345 -82.5269 -142.367 27.5767 -60.2349 27.5774 2.78782 GPRESSURE: 2604000 -66.234 25.3948 -10.9074 -139.681 -36.1314 13.7137 -54.1801 80.9689 24.0517 PRESSAVG: 2604000 -40.9799 -29.7632 7.5987 -29.7632 33.2182 20.5378 7.59863 20.5379 -8.18502 GPRESSAVG: 2604000 -41.5928 -30.0106 6.90103 -30.8495 32.6342 20.5832 5.30487 20.5296 -7.38097 TIMING: 2604000 CPU: 8132.29, 0.00310521/step Wall: 8132.29, 0.00310521/step, 2.06669 hours remaining, 234.109375 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: 2604000 4009.5413 20602.8774 14381.2552 236.2122 -203473.0363 2942.5424 0.0000 0.0000 51833.0837 -109467.5241 297.8854 -161300.6078 -109114.7513 298.4905 -54.1394 -26.1046 764820.9336 -5.3156 -5.4465 PRESSURE: 2604200 -13.8005 85.7377 -369.549 85.7376 -70.7911 114.674 -369.55 114.673 -127.721 GPRESSURE: 2604200 1.01445 47.5306 -407.23 102.173 -20.1481 20.6432 -260.807 146.896 -119.49 PRESSAVG: 2604200 -9.85138 4.72137 15.8273 4.72134 -12.9948 67.7073 15.8274 67.7073 -6.80175 GPRESSAVG: 2604200 -9.63371 2.40008 13.7044 3.20484 -12.6927 66.8732 17.1802 67.2711 -7.55984 TIMING: 2604200 CPU: 8132.91, 0.00311046/step Wall: 8132.91, 0.00311046/step, 2.07001 hours remaining, 234.109375 MB of memory in use. ENERGY: 2604200 4002.2420 20439.6122 14426.8180 246.3782 -203575.5073 2799.1248 0.0000 0.0000 52265.4420 -109395.8902 300.3702 -161661.3322 -109024.5871 298.9050 -70.7707 -46.2079 762219.6692 -9.8826 -9.9621 LDB: ============= START OF LOAD BALANCING ============== 8145.39 LDB: ============== END OF LOAD BALANCING =============== 8145.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8145.39 LDB: ============= START OF LOAD BALANCING ============== 8145.71 LDB: Largest compute 7064 load 0.029760 is 15.3% of average load 0.195049 LDB: Average compute 0.004415 is 2.3% of average load 0.195049 LDB: TIME 8145.71 LOAD: AVG 0.195049 MAX 0.212141 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.109 MB LDB: TIME 8145.71 LOAD: AVG 0.195049 MAX 0.212141 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.203 MB LDB: TIME 8145.71 LOAD: AVG 0.195049 MAX 0.212141 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.203 MB LDB: ============== END OF LOAD BALANCING =============== 8145.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8145.72 PRESSURE: 2604400 -358.081 98.4785 -84.5839 98.4786 145.313 -57.2896 -84.584 -57.2892 -206.142 GPRESSURE: 2604400 -254.826 87.7486 -110.201 -126.802 86.892 -13.6123 -69.9549 21.9795 -160.723 PRESSAVG: 2604400 3.01437 37.3149 -52.2163 37.3149 28.2966 14.7647 -52.2163 14.7647 -0.0270702 GPRESSAVG: 2604400 2.63928 36.6969 -52.1243 37.8215 28.4478 14.8451 -49.9458 16.333 0.172089 TIMING: 2604400 CPU: 8133.55, 0.00318962/step Wall: 8133.55, 0.00318962/step, 2.12252 hours remaining, 234.109375 MB of memory in use. ENERGY: 2604400 3985.9570 20527.8566 14347.9226 257.7612 -203229.0916 2734.8160 0.0000 0.0000 51785.3808 -109589.3974 297.6113 -161374.7782 -109226.8492 298.2961 -139.6371 -109.5523 763314.1568 10.4280 10.4197 PRESSURE: 2604600 102.006 114.862 -29.3368 114.861 -77.4176 83.2269 -29.3362 83.2282 107.914 GPRESSURE: 2604600 160.91 178.011 -44.439 160.616 -37.6954 25.4549 17.5039 65.1583 96.4698 PRESSAVG: 2604600 -11.2128 22.2131 25.4193 22.2131 1.90085 67.7578 25.4193 67.7579 15.4991 GPRESSAVG: 2604600 -11.0635 23.0062 27.2528 25.0985 1.85057 66.6314 22.11 68.3152 15.3049 TIMING: 2604600 CPU: 8134.17, 0.00310993/step Wall: 8134.17, 0.00310993/step, 2.06931 hours remaining, 234.308594 MB of memory in use. ENERGY: 2604600 3989.8795 20660.7965 14363.9323 246.2951 -203454.2930 2944.5766 0.0000 0.0000 51807.5163 -109441.2967 297.7385 -161248.8130 -109090.2206 298.5296 44.1676 73.2281 763536.3560 2.0624 2.0307 PRESSURE: 2604800 189.788 107.441 65.3142 107.441 -128.68 217.18 65.3149 217.18 627.338 GPRESSURE: 2604800 210.344 14.5007 79.5388 115.264 -63.6569 301.72 106.946 176.73 604.652 PRESSAVG: 2604800 22.5771 50.0381 68.1252 50.0381 -34.225 77.9784 68.1251 77.9784 -13.3067 GPRESSAVG: 2604800 22.7978 48.6014 68.0092 49.5219 -35.6596 79.5504 69.3487 77.1823 -11.5001 TIMING: 2604800 CPU: 8134.79, 0.00310655/step Wall: 8134.79, 0.00310655/step, 2.06689 hours remaining, 234.308594 MB of memory in use. ENERGY: 2604800 3973.7357 20517.5971 14374.4198 250.3871 -203408.1607 2911.0725 0.0000 0.0000 51765.8892 -109615.0593 297.4993 -161380.9485 -109244.4932 298.3678 229.4821 250.4462 762790.8235 -8.3182 -8.1206 PRESSURE: 2605000 178.739 28.8115 71.5784 28.8121 499.253 -19.866 71.5783 -19.8664 641.665 GPRESSURE: 2605000 238.486 65.4396 121.492 -32.0636 555.452 -37.1505 56.4129 -36.4473 603.214 PRESSAVG: 2605000 82.1382 22.0518 -6.96048 22.0518 -78.2565 40.7674 -6.96046 40.7673 -26.3654 GPRESSAVG: 2605000 82.2233 22.1648 -5.65599 22.8904 -76.7347 42.245 -9.15233 40.4489 -27.9126 TIMING: 2605000 CPU: 8135.41, 0.00310151/step Wall: 8135.41, 0.00310151/step, 2.06337 hours remaining, 234.308594 MB of memory in use. ENERGY: 2605000 4014.4440 20554.6856 14407.1456 239.8253 -203697.5622 3065.0664 0.0000 0.0000 51914.9781 -109501.4173 298.3561 -161416.3953 -109142.3417 298.6855 439.8857 465.7174 761474.6314 -7.4946 -7.4747 PRESSURE: 2605200 57.6483 178.327 -74.8404 178.326 107.488 93.9705 -74.8404 93.9726 -239.712 GPRESSURE: 2605200 164.491 128.773 14.474 144.548 47.622 124.012 -80.1439 125.258 -209.144 PRESSAVG: 2605200 34.1922 -13.8699 -1.17198 -13.8699 -3.87678 45.7435 -1.17189 45.7435 6.05971 GPRESSAVG: 2605200 33.1944 -14.2385 -2.57035 -15.3531 -3.95456 44.5046 1.69743 46.1118 7.17725 TIMING: 2605200 CPU: 8136.03, 0.0030979/step Wall: 8136.03, 0.0030979/step, 2.06079 hours remaining, 234.308594 MB of memory in use. ENERGY: 2605200 3971.3120 20633.7636 14394.2643 234.5463 -203613.4917 2869.0283 0.0000 0.0000 52080.4835 -109430.0936 299.3073 -161510.5771 -109080.1444 298.8390 -24.8586 0.9896 763380.2914 12.1250 12.1390 PRESSURE: 2605400 5.48555 -111.602 -39.6487 -111.603 113.22 125.236 -39.6483 125.235 -250.764 GPRESSURE: 2605400 13.3209 -52.8413 63.5686 -177.739 166.858 107.077 56.3507 110.084 -222.206 PRESSAVG: 2605400 -32.3858 -25.3291 -28.1929 -25.3291 31.4065 26.5137 -28.193 26.5137 6.79627 GPRESSAVG: 2605400 -30.1761 -23.1112 -27.4558 -25.7662 29.6557 24.573 -29.6062 24.9 6.55999 TIMING: 2605400 CPU: 8136.66, 0.0031179/step Wall: 8136.66, 0.0031179/step, 2.07392 hours remaining, 234.308594 MB of memory in use. ENERGY: 2605400 3921.1089 20361.7172 14460.2034 221.3352 -203589.1951 2825.0854 0.0000 0.0000 52148.5289 -109651.2161 299.6983 -161799.7450 -109285.5684 298.9842 -44.0193 -14.0091 763835.6954 1.9390 2.0132 PRESSURE: 2605600 288.493 78.2296 -108.67 78.2286 140.763 -26.7218 -108.669 -26.7224 -133.874 GPRESSURE: 2605600 224.915 22.8879 -70.4089 64.3897 232.561 22.7233 -10.774 -83.3234 -69.0046 PRESSAVG: 2605600 -15.3224 -46.7926 -18.2676 -46.7927 8.70857 -18.547 -18.2676 -18.547 -41.2796 GPRESSAVG: 2605600 -17.0433 -50.3168 -18.5131 -46.195 10.3946 -17.3521 -18.9126 -17.8122 -41.0973 TIMING: 2605600 CPU: 8137.28, 0.00311636/step Wall: 8137.28, 0.00311636/step, 2.07273 hours remaining, 234.308594 MB of memory in use. ENERGY: 2605600 3978.7884 20408.8821 14334.6425 246.9231 -203409.1226 2751.9893 0.0000 0.0000 51791.8674 -109896.0298 297.6486 -161687.8972 -109531.0918 298.1049 98.4606 129.4904 761888.0982 -15.9645 -15.9153 PRESSURE: 2605800 -35.5815 -13.7874 86.7398 -13.7864 -131.125 189.341 86.7403 189.342 -255.462 GPRESSURE: 2605800 -70.1662 50.8462 68.8533 -31.8391 -62.3378 193.178 99.7548 131.146 -217.222 PRESSAVG: 2605800 65.4116 -12.36 30.5623 -12.36 -111.001 37.2892 30.5622 37.2892 -12.0024 GPRESSAVG: 2605800 65.909 -9.40934 30.5331 -11.1071 -110.759 37.5813 31.736 36.0642 -12.5235 TIMING: 2605800 CPU: 8137.91, 0.00312501/step Wall: 8137.91, 0.00312501/step, 2.07831 hours remaining, 234.308594 MB of memory in use. ENERGY: 2605800 3952.4546 20476.2719 14459.0585 261.7817 -203616.3898 2535.8025 0.0000 0.0000 52205.7149 -109725.3058 300.0270 -161931.0207 -109366.6821 297.1222 -140.7229 -116.5754 761159.8686 -19.1971 -19.1246 PRESSURE: 2606000 -454.257 106.333 10.7777 106.333 -331.855 98.8773 10.7788 98.8777 -314.972 GPRESSURE: 2606000 -385.158 120.57 -0.7048 90.8346 -297.423 133.83 -39.7671 32.6879 -329.167 PRESSAVG: 2606000 38.8167 -2.3732 30.9828 -2.37319 -28.5701 33.7935 30.9828 33.7935 -13.1653 GPRESSAVG: 2606000 37.5749 -3.24685 30.3854 -3.5386 -28.936 32.4999 30.2739 36.7781 -11.6775 TIMING: 2606000 CPU: 8138.52, 0.00309482/step Wall: 8138.52, 0.00309482/step, 2.05805 hours remaining, 234.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2606000 3922.1138 20559.9756 14440.7279 279.3158 -203411.2673 2690.1691 0.0000 0.0000 51727.3379 -109791.6272 297.2777 -161518.9650 -109443.7439 298.1232 -367.0278 -337.2490 764394.9737 -0.9729 -1.0129 PRESSURE: 2606200 -259.783 250.584 -143.989 250.584 -288.205 205.968 -143.988 205.967 -65.4576 GPRESSURE: 2606200 -230.07 287.875 -125.511 180.73 -123.059 213.914 -169.066 114.458 -171.667 PRESSAVG: 2606200 33.5606 30.5626 -10.2145 30.5627 -47.8724 -13.5047 -10.2145 -13.5046 -0.313411 GPRESSAVG: 2606200 35.4968 31.2132 -9.64 29.0056 -48.6931 -12.1132 -10.314 -16.226 -1.38599 TIMING: 2606200 CPU: 8139.14, 0.00309643/step Wall: 8139.14, 0.00309643/step, 2.05895 hours remaining, 234.308594 MB of memory in use. ENERGY: 2606200 3967.7659 20425.5362 14394.4182 249.8143 -203474.6205 2545.1823 0.0000 0.0000 51959.3867 -109932.5170 298.6113 -161891.9037 -109568.4816 297.5983 -204.4821 -174.9321 762659.2521 -4.8751 -4.8608 PRESSURE: 2606400 102.433 -15.4148 216.466 -15.4155 260.656 136.073 216.466 136.073 56.266 GPRESSURE: 2606400 133.512 13.9808 193.612 54.0849 332.607 198.597 -33.2788 147.364 45.2085 PRESSAVG: 2606400 36.482 42.9095 2.0925 42.9095 -1.04883 -11.9418 2.09249 -11.9418 30.859 GPRESSAVG: 2606400 33.8817 42.405 2.48017 47.6364 0.443649 -11.995 3.04921 -13.6492 31.8578 TIMING: 2606400 CPU: 8139.76, 0.00310555/step Wall: 8139.76, 0.00310555/step, 2.06485 hours remaining, 234.308594 MB of memory in use. ENERGY: 2606400 3919.0095 20575.8162 14428.6866 235.9777 -203619.5513 2919.3045 0.0000 0.0000 51659.9619 -109880.7950 296.8905 -161540.7569 -109515.1930 298.0276 139.7850 170.4425 763033.5392 22.0974 22.0610 PRESSURE: 2606600 -59.1367 357.295 -27.7982 357.295 -35.7938 205.675 -27.7975 205.675 -125.882 GPRESSURE: 2606600 -79.4214 229.835 -9.58738 402.543 -14.4057 160.696 -7.74035 60.4851 -39.559 PRESSAVG: 2606600 33.0687 11.112 12.5622 11.1121 -31.2079 -6.03822 12.5621 -6.03825 -23.6562 GPRESSAVG: 2606600 35.0121 10.12 13.4609 8.49636 -32.3176 -7.43598 10.4798 -3.01898 -24.3738 TIMING: 2606600 CPU: 8140.39, 0.00310256/step Wall: 8140.39, 0.00310256/step, 2.06268 hours remaining, 234.308594 MB of memory in use. ENERGY: 2606600 3966.4555 20512.4019 14436.0055 234.0670 -203551.4844 2679.9800 0.0000 0.0000 51855.6409 -109866.9336 298.0151 -161722.5745 -109511.5610 297.4554 -73.6042 -44.4620 762745.6739 -7.2652 -7.2264 PRESSURE: 2606800 -306.641 -53.6371 -8.49234 -53.6375 44.4718 50.3472 -8.49305 50.3467 -165.585 GPRESSURE: 2606800 -192.728 11.4888 39.4033 -34.6328 -48.1908 -19.7144 37.8384 122.619 -105.111 PRESSAVG: 2606800 -44.664 47.6964 20.001 47.6964 27.4084 4.60973 20.001 4.60976 7.12012 GPRESSAVG: 2606800 -45.287 47.9551 17.7197 47.6499 28.4661 4.99593 21.5329 4.1269 6.98082 TIMING: 2606800 CPU: 8141, 0.0030831/step Wall: 8141, 0.0030831/step, 2.04958 hours remaining, 234.308594 MB of memory in use. ENERGY: 2606800 4062.0911 20536.2700 14379.7336 253.1377 -203540.4970 2628.0781 0.0000 0.0000 51958.8915 -109722.2950 298.6085 -161681.1865 -109364.4148 298.2594 -142.5847 -115.3435 761690.1175 -3.3785 -3.2800 PRESSURE: 2607000 -114.872 216.527 21.6506 216.526 -372.504 -55.3801 21.6502 -55.3804 -57.3567 GPRESSURE: 2607000 -98.0115 134.666 -65.5996 167.063 -317.945 -59.4369 61.1409 56.469 -54.1179 PRESSAVG: 2607000 -15.5153 -8.66717 27.6453 -8.66721 11.7447 7.5312 27.6453 7.5312 -12.3932 GPRESSAVG: 2607000 -15.5247 -9.10625 28.8208 -7.67626 10.6573 5.95408 28.9961 7.14715 -11.5301 TIMING: 2607000 CPU: 8141.62, 0.00310422/step Wall: 8141.62, 0.00310421/step, 2.06344 hours remaining, 234.308594 MB of memory in use. ENERGY: 2607000 4109.2804 20468.2594 14422.2027 255.6181 -203519.0238 2766.8412 0.0000 0.0000 51945.1951 -109551.6271 298.5298 -161496.8221 -109190.9490 298.2867 -181.5776 -156.6916 762888.0189 -5.3879 -5.4658 PRESSURE: 2607200 186.457 186.386 -197.041 186.386 -81.7601 130.832 -197.042 130.832 233.363 GPRESSURE: 2607200 206.143 160.578 -192.026 50.8101 -87.3912 127.37 -135.704 72.7067 294.325 PRESSAVG: 2607200 81.6585 8.69281 -10.0721 8.69279 -93.422 14.0642 -10.0721 14.0641 28.9561 GPRESSAVG: 2607200 81.1015 9.28925 -11.3066 6.27898 -92.4462 16.5603 -10.8141 12.8289 28.0037 TIMING: 2607200 CPU: 8142.24, 0.00309106/step Wall: 8142.24, 0.00309106/step, 2.05452 hours remaining, 234.308594 MB of memory in use. ENERGY: 2607200 3960.5088 20644.7686 14476.9953 255.7056 -203558.0815 2917.5610 0.0000 0.0000 51569.9184 -109732.6238 296.3730 -161302.5421 -109390.5191 298.1004 112.6866 137.6924 762177.1860 5.7308 5.5530 PRESSURE: 2607400 -97.625 241.143 -165.561 241.142 49.9612 60.2094 -165.562 60.2093 -321.813 GPRESSURE: 2607400 -74.2578 183.355 -104.124 278.059 128.409 -25.47 -179.69 178.38 -314.971 PRESSAVG: 2607400 -25.82 12.5648 -37.2468 12.5648 52.4135 20.4553 -37.2468 20.4553 3.92773 GPRESSAVG: 2607400 -24.3817 14.0305 -35.433 14.5873 51.5888 19.0973 -38.9736 22.3498 3.621 TIMING: 2607400 CPU: 8142.86, 0.00308948/step Wall: 8142.86, 0.00308948/step, 2.0533 hours remaining, 234.308594 MB of memory in use. ENERGY: 2607400 3999.3382 20495.1239 14434.0950 234.3312 -204292.7197 3173.1212 0.0000 0.0000 52149.5139 -109807.1963 299.7040 -161956.7102 -109446.1385 298.7618 -123.1589 -86.9400 760352.9216 10.1737 10.2760 PRESSURE: 2607600 167.358 -24.9389 343.606 -24.939 413.62 -75.6787 343.606 -75.6778 116.806 GPRESSURE: 2607600 277.201 1.46723 380.309 -18.167 369.846 -101.774 289.594 47.1237 121.809 PRESSAVG: 2607600 5.03689 33.994 -28.5498 33.9941 7.1936 -8.78739 -28.5499 -8.78742 -7.70679 GPRESSAVG: 2607600 3.84172 32.6969 -30.9342 32.2084 8.20687 -8.21722 -26.9334 -8.95983 -7.85189 TIMING: 2607600 CPU: 8143.47, 0.0030722/step Wall: 8143.47, 0.0030722/step, 2.04165 hours remaining, 234.308594 MB of memory in use. ENERGY: 2607600 4028.9777 20670.5179 14417.3720 245.8404 -203917.9734 3085.6008 0.0000 0.0000 51857.9986 -109611.6660 298.0286 -161469.6646 -109254.1463 298.7906 232.5944 256.2852 759632.2937 1.5079 1.3989 PRESSURE: 2607800 -114.455 -108.834 32.6862 -108.834 26.7099 92.0574 32.6862 92.0586 460.467 GPRESSURE: 2607800 -70.0848 30.9229 82.1834 -191.403 105.867 47.716 -53.8139 110.511 434.414 PRESSAVG: 2607800 -4.3069 -35.8756 26.1262 -35.8756 13.7433 -11.9074 26.1262 -11.9075 -11.6159 GPRESSAVG: 2607800 -3.97595 -35.1845 27.726 -34.7991 13.6175 -11.7526 26.2483 -10.4464 -12.0468 TIMING: 2607800 CPU: 8144.09, 0.00307473/step Wall: 8144.09, 0.00307473/step, 2.04316 hours remaining, 234.308594 MB of memory in use. ENERGY: 2607800 3996.5842 20401.2139 14460.7858 245.2243 -203753.7581 2838.1980 0.0000 0.0000 52145.2670 -109666.4850 299.6796 -161811.7520 -109306.6964 298.6500 124.2408 156.7321 760853.4856 -0.7265 -0.8018 PRESSURE: 2608000 -136.188 -217.037 -46.9873 -217.037 -424.808 92.4367 -46.9876 92.4373 180.511 GPRESSURE: 2608000 -91.3531 -169.704 10.7202 -147.54 -326.448 84.101 -123.029 46.4867 141.954 PRESSAVG: 2608000 27.9856 -0.937688 50.3231 -0.937717 -39.4494 32.3417 50.3231 32.3417 4.76776 GPRESSAVG: 2608000 28.9236 -1.48095 49.8669 -0.158449 -39.3661 30.1406 47.7998 30.3469 3.84164 TIMING: 2608000 CPU: 8144.7, 0.00308374/step Wall: 8144.7, 0.00308374/step, 2.04897 hours remaining, 234.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2608000 3965.9135 20413.0890 14356.4324 274.4637 -203519.6408 2798.2250 0.0000 0.0000 51984.2352 -109727.2820 298.7541 -161711.5172 -109377.6668 298.5667 -126.8283 -91.9492 761350.2832 -2.2320 -2.2003 PRESSURE: 2608200 -330.812 -46.2668 48.2473 -46.2676 -73.6265 -66.8444 48.2472 -66.8437 -159.629 GPRESSURE: 2608200 -332.179 -45.9545 169.338 -63.9374 0.38162 -65.6025 -58.2542 -64.3172 -133.464 PRESSAVG: 2608200 2.05475 -10.319 -14.6904 -10.319 -16.1396 38.9837 -14.6904 38.9836 0.513754 GPRESSAVG: 2608200 1.82695 -10.5737 -13.7801 -9.23044 -17.2601 40.9802 -11.0681 36.7126 1.8751 TIMING: 2608200 CPU: 8145.33, 0.00310431/step Wall: 8145.33, 0.00310431/step, 2.06247 hours remaining, 234.308594 MB of memory in use. ENERGY: 2608200 3985.5425 20516.2970 14495.1935 236.3338 -203710.6329 2899.1105 0.0000 0.0000 51994.6965 -109583.4590 298.8142 -161578.1555 -109220.9194 298.6398 -188.0224 -155.0871 762899.2903 -4.5237 -4.5194 LDB: ============= START OF LOAD BALANCING ============== 8157.8 LDB: ============== END OF LOAD BALANCING =============== 8157.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8157.8 LDB: ============= START OF LOAD BALANCING ============== 8158.11 LDB: Largest compute 7064 load 0.030291 is 15.5% of average load 0.195124 LDB: Average compute 0.004406 is 2.3% of average load 0.195124 LDB: TIME 8158.12 LOAD: AVG 0.195124 MAX 0.21433 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.371 MB LDB: TIME 8158.12 LOAD: AVG 0.195124 MAX 0.21433 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.465 MB LDB: TIME 8158.12 LOAD: AVG 0.195124 MAX 0.21433 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.465 MB LDB: ============== END OF LOAD BALANCING =============== 8158.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8158.13 PRESSURE: 2608400 -306.26 46.242 -149.94 46.242 -192.203 -57.7797 -149.94 -57.7794 -97.2408 GPRESSURE: 2608400 -269.455 56.8151 -136.162 35.259 -112.035 -103.825 -140.063 -66.92 -139.811 PRESSAVG: 2608400 -16.9399 31.2374 -43.762 31.2374 -5.20033 31.174 -43.762 31.1739 -32.8095 GPRESSAVG: 2608400 -17.4818 31.7993 -42.2748 28.8062 -4.47122 32.4075 -45.2623 32.3809 -32.9805 TIMING: 2608400 CPU: 8145.96, 0.0031692/step Wall: 8145.96, 0.00316919/step, 2.1054 hours remaining, 234.765625 MB of memory in use. ENERGY: 2608400 4003.5349 20512.8180 14438.8399 246.9655 -203444.4004 2739.4962 0.0000 0.0000 52079.2939 -109423.4521 299.3004 -161502.7460 -109057.6430 298.8093 -198.5678 -173.7669 762762.7413 -18.3166 -18.3112 PRESSURE: 2608600 -337.664 42.9647 51.5056 42.9653 -205.624 -93.9629 51.5059 -93.9621 -38.1797 GPRESSURE: 2608600 -326.704 76.9899 85.1085 17.5721 -174.547 -207.817 52.7079 -55.402 -1.31498 PRESSAVG: 2608600 6.37986 17.0888 22.413 17.0888 -0.235874 -54.9639 22.413 -54.9639 -17.4015 GPRESSAVG: 2608600 5.75552 16.9048 20.9994 16.4679 0.256274 -56.9743 23.29 -53.1399 -17.4592 TIMING: 2608600 CPU: 8146.58, 0.00308981/step Wall: 8146.58, 0.00308981/step, 2.0525 hours remaining, 234.765625 MB of memory in use. ENERGY: 2608600 3957.8792 20622.6488 14424.8315 239.9169 -203464.9746 2607.9067 0.0000 0.0000 52159.3837 -109452.4077 299.7607 -161611.7915 -109084.0231 298.9975 -193.8227 -167.5220 763898.8285 -3.7525 -3.8158 PRESSURE: 2608800 -80.3308 79.4547 102.151 79.4546 -141.217 -95.7785 102.151 -95.7798 42.0068 GPRESSURE: 2608800 -102.385 46.465 148.382 47.2571 -52.2346 -87.1971 181.315 -111.451 56.3007 PRESSAVG: 2608800 32.0629 12.8443 3.4104 12.8443 -8.60059 14.6124 3.41037 14.6124 -5.24608 GPRESSAVG: 2608800 31.0923 13.0456 1.4204 12.9837 -7.2006 15.0651 3.61535 13.2572 -5.89888 TIMING: 2608800 CPU: 8147.19, 0.00308541/step Wall: 8147.19, 0.00308541/step, 2.0494 hours remaining, 234.765625 MB of memory in use. ENERGY: 2608800 3969.1871 20623.3018 14460.9598 251.3373 -203385.4406 2725.7006 0.0000 0.0000 52021.1243 -109333.8297 298.9661 -161354.9540 -108973.1930 299.4822 -59.8469 -32.7730 762928.9674 6.0721 5.9976 PRESSURE: 2609000 101.762 248.269 -212.106 248.269 -513.626 34.2071 -212.107 34.2063 -164.967 GPRESSURE: 2609000 146.87 157.694 -169.793 158.271 -432.131 -16.7868 -73.4886 207.978 -208.756 PRESSAVG: 2609000 6.74896 46.8119 -3.61279 46.8119 12.7118 1.58984 -3.61282 1.58992 11.2307 GPRESSAVG: 2609000 7.58369 46.1384 -3.54094 48.0531 10.7677 2.5828 -2.55986 1.69773 11.8911 TIMING: 2609000 CPU: 8147.81, 0.00308301/step Wall: 8147.81, 0.00308301/step, 2.04763 hours remaining, 234.765625 MB of memory in use. ENERGY: 2609000 4026.9873 20508.4561 14461.5294 234.9486 -203802.6782 2878.5083 0.0000 0.0000 52276.7060 -109415.5424 300.4349 -161692.2484 -109036.1889 299.1732 -192.2770 -164.6724 763776.4415 10.2305 10.0808 PRESSURE: 2609200 138.813 150.521 -144.988 150.521 255.204 -58.7513 -144.988 -58.7518 -129.105 GPRESSURE: 2609200 176.023 117.025 -142.696 150.832 282.471 -79.4652 -120.352 -182.357 -113.15 PRESSAVG: 2609200 17.0309 31.3921 15.4566 31.3921 -70.3496 -7.93816 15.4565 -7.93816 18.3348 GPRESSAVG: 2609200 17.4941 30.0542 17.9761 31.0799 -70.7069 -10.7019 13.7201 -6.58751 17.8103 TIMING: 2609200 CPU: 8148.43, 0.00310695/step Wall: 8148.43, 0.00310695/step, 2.06336 hours remaining, 234.765625 MB of memory in use. ENERGY: 2609200 3994.3684 20519.0080 14435.7476 275.1687 -203555.5028 2961.4537 0.0000 0.0000 52147.3122 -109222.4442 299.6913 -161369.7564 -108861.9166 299.3556 88.3039 115.1146 762324.8747 -11.6613 -11.8008 PRESSURE: 2609400 10.0734 129.284 -9.10467 129.284 -154.142 264.242 -9.10474 264.243 -173.15 GPRESSURE: 2609400 131.443 173.459 -28.2833 116.899 -191.487 231.822 -57.4017 173.265 -152.808 PRESSAVG: 2609400 16.0523 4.35921 -25.8302 4.35919 -12.5768 8.07662 -25.8302 8.07667 -8.00159 GPRESSAVG: 2609400 16.0391 5.76094 -26.5464 2.47707 -13.1134 10.3278 -24.2859 4.624 -7.42155 TIMING: 2609400 CPU: 8149.05, 0.00309751/step Wall: 8149.05, 0.00309751/step, 2.05692 hours remaining, 234.765625 MB of memory in use. ENERGY: 2609400 4041.9885 20644.4130 14541.8092 247.3255 -203248.8153 2581.1475 0.0000 0.0000 52095.4705 -109096.6611 299.3934 -161192.1316 -108723.5928 299.8642 -105.7395 -70.9510 762289.1420 -1.5087 -1.4986 PRESSURE: 2609600 101.372 -68.3573 -182.183 -68.3574 -610.88 93.1219 -182.183 93.1223 -187.337 GPRESSURE: 2609600 140.57 -118.119 -139.539 -82.5766 -568.445 85.9932 -186.462 63.0464 -182.995 PRESSAVG: 2609600 25.3392 25.3835 34.3984 25.3834 16.9149 -2.95305 34.3984 -2.95309 3.77648 GPRESSAVG: 2609600 24.9379 25.1127 34.8248 27.2901 18.1259 -2.71384 34.4517 -1.38466 3.54882 TIMING: 2609600 CPU: 8149.67, 0.00309661/step Wall: 8149.67, 0.00309661/step, 2.05615 hours remaining, 234.765625 MB of memory in use. ENERGY: 2609600 4063.5256 20653.0154 14359.8385 260.9523 -203393.5028 2762.6836 0.0000 0.0000 52198.1386 -109095.3489 299.9834 -161293.4875 -108735.9835 299.4684 -232.2818 -203.6234 762868.8393 15.3435 15.5375 PRESSURE: 2609800 125.945 -223.024 116 -223.025 34.3153 9.65913 116 9.65898 181.316 GPRESSURE: 2609800 156.354 -38.9744 128.611 -249.585 49.2375 -64.1915 182.454 54.4253 210.691 PRESSAVG: 2609800 39.6099 -2.92393 -0.568904 -2.92385 31.6346 23.1552 -0.568839 23.1552 -16.0518 GPRESSAVG: 2609800 38.3999 -1.51347 0.173357 -4.8602 31.3829 23.0513 -0.648959 23.0079 -15.4141 TIMING: 2609800 CPU: 8150.29, 0.00310085/step Wall: 8150.29, 0.00310085/step, 2.05879 hours remaining, 235.023438 MB of memory in use. ENERGY: 2609800 4002.6138 20584.7882 14438.7823 247.7192 -203462.3366 3201.8032 0.0000 0.0000 51822.6875 -109163.9424 297.8257 -160986.6299 -108796.6827 299.4239 113.8588 138.7609 763258.5040 18.3976 18.1229 PRESSURE: 2610000 174.579 155.754 109.638 155.753 -107.206 -229.344 109.638 -229.343 -156.554 GPRESSURE: 2610000 324.339 149.177 135.643 101.704 -76.8866 -282.73 150.535 -243.07 -243.015 PRESSAVG: 2610000 22.9829 85.9844 53.8971 85.9844 4.09926 -24.7219 53.8971 -24.7219 8.15472 GPRESSAVG: 2610000 24.224 86.0155 53.0457 85.7775 3.0107 -25.8501 51.8631 -22.4192 7.33477 TIMING: 2610000 CPU: 8150.91, 0.00309276/step Wall: 8150.91, 0.00309276/step, 2.05325 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2610000 3939.5226 20428.6491 14444.5540 260.4173 -203501.0898 3092.8003 0.0000 0.0000 52044.1923 -109290.9542 299.0987 -161335.1466 -108926.5146 299.5286 -29.7269 1.4793 761998.3526 11.7456 11.5231 PRESSURE: 2610200 -170.801 84.5186 60.5349 84.5183 52.9973 4.25442 60.5352 4.25419 -464.491 GPRESSURE: 2610200 -251.938 205.897 136.079 -27.836 86.7556 -80.8293 117.114 33.1353 -326.421 PRESSAVG: 2610200 19.4266 109.846 25.2179 109.846 17.2615 15.1149 25.2179 15.1148 -1.08018 GPRESSAVG: 2610200 17.9259 108.203 22.7659 111.04 17.8581 17.0904 25.7165 15.1642 -1.38254 TIMING: 2610200 CPU: 8151.53, 0.00309498/step Wall: 8151.53, 0.00309498/step, 2.05455 hours remaining, 235.023438 MB of memory in use. ENERGY: 2610200 4044.2571 20497.3196 14357.3997 257.4740 -203167.1715 2744.7126 0.0000 0.0000 51925.2689 -109340.7395 298.4152 -161266.0084 -108982.2842 298.5363 -194.0984 -163.8676 762819.6738 11.8693 11.4671 PRESSURE: 2610400 120.52 21.7615 53.6948 21.7611 231.952 -76.7864 53.695 -76.7871 -149.506 GPRESSURE: 2610400 160.775 -77.5109 -8.50032 -138.824 220.483 -72.8962 -27.9267 35.1733 -89.1279 PRESSAVG: 2610400 -17.7392 20.1647 53.4019 20.1648 -3.97145 -52.9605 53.4019 -52.9606 10.6534 GPRESSAVG: 2610400 -18.3694 21.3512 55.2118 20.5292 -2.53149 -54.555 54.0171 -51.7442 9.80637 TIMING: 2610400 CPU: 8152.15, 0.00309503/step Wall: 8152.15, 0.00309503/step, 2.05441 hours remaining, 235.023438 MB of memory in use. ENERGY: 2610400 3984.1785 20518.5974 14420.9233 256.0960 -203674.3923 2984.7206 0.0000 0.0000 52120.5290 -109389.3475 299.5374 -161509.8765 -109034.9446 299.0506 67.6554 97.3767 764272.7532 -3.6858 -3.6982 PRESSURE: 2610600 -61.6683 -74.8006 -159.583 -74.801 319.369 68.8271 -159.582 68.8263 201.458 GPRESSURE: 2610600 5.7225 35.0301 -191.527 -81.0882 322.626 96.7128 -150.174 67.8259 224.707 PRESSAVG: 2610600 -17.1557 13.8702 35.2097 13.8702 7.26806 -76.906 35.2096 -76.9061 -31.9115 GPRESSAVG: 2610600 -17.0199 14.1656 34.1914 13.2471 5.8434 -77.2658 35.7422 -78.9436 -30.4878 TIMING: 2610600 CPU: 8152.77, 0.00308846/step Wall: 8152.77, 0.00308845/step, 2.04988 hours remaining, 235.023438 MB of memory in use. ENERGY: 2610600 3988.5156 20588.4655 14384.0434 231.8798 -203410.5601 2912.0796 0.0000 0.0000 52111.4864 -109194.0898 299.4854 -161305.5762 -108833.0306 298.7310 153.0530 184.3521 762895.4674 -13.9330 -13.8881 PRESSURE: 2610800 -277.411 6.17776 -63.3546 6.17674 -303.295 -10.7542 -63.355 -10.7548 -105.947 GPRESSURE: 2610800 -307.376 115.817 -25.6336 156.268 -252.731 -168.106 -31.2523 12.3813 -56.6492 PRESSAVG: 2610800 32.8732 38.9615 -15.8422 38.9616 19.8501 -31.652 -15.8422 -31.6519 9.86775 GPRESSAVG: 2610800 32.5209 38.9994 -14.1467 40.234 20.8992 -31.1868 -18.6054 -30.5187 9.29203 TIMING: 2610800 CPU: 8153.39, 0.00310527/step Wall: 8153.39, 0.00310527/step, 2.06086 hours remaining, 235.023438 MB of memory in use. ENERGY: 2610800 4032.3652 20707.2267 14459.4904 260.8006 -203287.7584 2734.5574 0.0000 0.0000 52001.6687 -109091.6493 298.8543 -161093.3181 -108737.0765 299.4918 -228.8845 -205.5853 762839.1977 20.8637 20.9041 PRESSURE: 2611000 -71.3167 4.83305 -4.8619 4.83333 364.8 -301.328 -4.86091 -301.328 -235.613 GPRESSURE: 2611000 53.5672 59.0227 29.3564 27.8058 293.9 -267.2 29.0035 -273.454 -209.193 PRESSAVG: 2611000 10.711 12.0811 -16.0574 12.0811 46.6019 -33.5013 -16.0575 -33.5013 -19.684 GPRESSAVG: 2611000 11.6644 12.8872 -14.2952 10.3786 45.7912 -31.9409 -17.7588 -34.7368 -19.8003 TIMING: 2611000 CPU: 8154.01, 0.00310626/step Wall: 8154.01, 0.00310627/step, 2.06135 hours remaining, 235.023438 MB of memory in use. ENERGY: 2611000 4076.4663 20468.7776 14395.6274 253.4993 -203234.9541 2842.8356 0.0000 0.0000 52188.7664 -109008.9815 299.9296 -161197.7479 -108647.2406 299.5193 19.2901 46.0915 764124.7279 12.5430 12.5518 PRESSURE: 2611200 33.9798 -33.1677 203.462 -33.1687 -241.174 -104.181 203.462 -104.18 246.727 GPRESSURE: 2611200 52.5664 -54.0282 119.003 13.8042 -115.93 -28.8261 270.436 -195.832 196.439 PRESSAVG: 2611200 -20.9019 7.55679 -43.8473 7.55676 -3.82732 -84.7528 -43.8473 -84.7528 1.06707 GPRESSAVG: 2611200 -21.3742 5.883 -47.3669 8.54211 -3.63354 -85.4082 -40.9556 -86.7983 1.33356 TIMING: 2611200 CPU: 8154.63, 0.00309412/step Wall: 8154.63, 0.00309412/step, 2.05312 hours remaining, 235.023438 MB of memory in use. ENERGY: 2611200 4067.3350 20407.5906 14496.0759 261.0053 -203125.3091 2937.5269 0.0000 0.0000 51824.5120 -109131.2635 297.8362 -160955.7755 -108774.5575 299.5579 13.1775 44.3584 762639.9073 -7.8874 -7.8914 PRESSURE: 2611400 -242.788 -95.1764 16.9138 -95.1753 -163.113 -39.6292 16.9136 -39.6302 -749.528 GPRESSURE: 2611400 -213.631 -33.4308 -3.2254 18.8621 -200.368 -16.7241 -35.1909 102.906 -660.778 PRESSAVG: 2611400 -46.0572 -7.23975 33.7447 -7.23974 41.9346 -50.6102 33.7447 -50.6103 -10.8816 GPRESSAVG: 2611400 -46.0389 -5.48254 35.8361 -7.25012 41.4359 -52.522 33.8965 -47.2703 -10.6721 TIMING: 2611400 CPU: 8155.25, 0.00309152/step Wall: 8155.25, 0.00309152/step, 2.05122 hours remaining, 235.023438 MB of memory in use. ENERGY: 2611400 3987.4669 20473.7958 14474.9760 239.0940 -202864.9782 2642.7507 0.0000 0.0000 52107.9263 -108938.9684 299.4650 -161046.8947 -108570.3018 299.1876 -385.1430 -358.2591 762682.6419 -5.0014 -5.0917 PRESSURE: 2611600 3.11291 137.244 43.5112 137.243 -25.297 -64.0977 43.5114 -64.0971 -486.015 GPRESSURE: 2611600 -45.2031 173.846 117.29 76.1652 15.2692 -110.924 104.746 -108.726 -399.937 PRESSAVG: 2611600 9.37989 -12.8488 -14.7154 -12.8488 -12.6624 -20.2975 -14.7155 -20.2975 0.882519 GPRESSAVG: 2611600 9.12704 -13.702 -14.6545 -12.5381 -11.4755 -17.5406 -16.4171 -22.2017 -0.467482 TIMING: 2611600 CPU: 8155.86, 0.00309263/step Wall: 8155.86, 0.00309263/step, 2.05179 hours remaining, 235.023438 MB of memory in use. ENERGY: 2611600 4016.9143 20596.3607 14442.4958 231.2519 -203492.4610 2902.8121 0.0000 0.0000 52535.8827 -108766.7435 301.9244 -161302.6262 -108410.8984 299.6406 -169.3998 -143.2902 762475.7538 -0.8000 -0.9387 PRESSURE: 2611800 60.9531 -9.78016 159.293 -9.78027 -300.56 70.5094 159.293 70.5094 -209.135 GPRESSURE: 2611800 200.289 -139.984 26.0155 19.2815 -344.59 123.09 210.801 3.1767 -204.992 PRESSAVG: 2611800 32.8197 26.476 -27.0656 26.476 -68.9109 4.34218 -27.0658 4.34214 -22.7135 GPRESSAVG: 2611800 33.1306 23.9282 -29.4637 25.7881 -69.8391 3.00108 -24.3742 4.64404 -21.8549 TIMING: 2611800 CPU: 8156.48, 0.00309735/step Wall: 8156.48, 0.00309735/step, 2.05475 hours remaining, 235.023438 MB of memory in use. ENERGY: 2611800 4134.0869 20516.4994 14481.0607 270.0936 -203211.8814 2863.6137 0.0000 0.0000 52382.9142 -108563.6130 301.0453 -160946.5272 -108200.8310 300.1089 -149.5806 -116.4307 761815.9122 -19.6016 -19.5211 PRESSURE: 2612000 -94.286 44.0431 -14.7179 44.0428 -254.312 -58.0249 -14.7187 -58.0263 -227.27 GPRESSURE: 2612000 -56.2517 -31.6566 21.9737 142.935 -241.645 -8.3983 -56.5725 -211.283 -198.338 PRESSAVG: 2612000 69.1187 21.7145 -27.308 21.7144 -70.2722 -8.17827 -27.308 -8.1782 -0.339089 GPRESSAVG: 2612000 69.253 20.0593 -27.6887 24.5551 -70.7157 -8.72816 -28.7227 -9.22871 -0.115783 TIMING: 2612000 CPU: 8157.1, 0.00309609/step Wall: 8157.1, 0.00309609/step, 2.05374 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2612000 4018.2975 20642.4271 14441.8304 253.5258 -203118.2435 2779.0487 0.0000 0.0000 52509.7113 -108473.4027 301.7740 -160983.1140 -108094.9108 300.5787 -191.9561 -165.4116 763111.9249 -0.4975 -0.5262 PRESSURE: 2612200 107.764 -10.3882 -189.407 -10.3883 -95.7704 -145.524 -189.407 -145.523 55.0371 GPRESSURE: 2612200 -28.4443 12.2548 -202.83 -1.18492 133.941 -156.804 -209.359 -191.53 60.7489 PRESSAVG: 2612200 4.08497 28.1325 -54.5561 28.1325 -44.0315 -46.7232 -54.5561 -46.7233 27.2424 GPRESSAVG: 2612200 2.75289 30.894 -54.2305 25.704 -42.7663 -44.8492 -52.2712 -44.8489 27.5595 TIMING: 2612200 CPU: 8157.72, 0.00309829/step Wall: 8157.72, 0.00309829/step, 2.05503 hours remaining, 235.023438 MB of memory in use. ENERGY: 2612200 3992.9422 20518.4831 14494.1151 264.1111 -203498.2209 3067.0500 0.0000 0.0000 52592.9168 -108568.6027 302.2522 -161161.5195 -108198.5422 300.9009 22.3437 55.4151 762344.1410 -4.2347 -4.1513 LDB: ============= START OF LOAD BALANCING ============== 8170.2 LDB: ============== END OF LOAD BALANCING =============== 8170.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8170.2 LDB: ============= START OF LOAD BALANCING ============== 8170.51 LDB: Largest compute 7064 load 0.030941 is 15.9% of average load 0.195078 LDB: Average compute 0.004417 is 2.3% of average load 0.195078 LDB: TIME 8170.51 LOAD: AVG 0.195078 MAX 0.213939 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.09 MB LDB: TIME 8170.51 LOAD: AVG 0.195078 MAX 0.213939 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.348 MB LDB: TIME 8170.51 LOAD: AVG 0.195078 MAX 0.213939 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.348 MB LDB: ============== END OF LOAD BALANCING =============== 8170.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8170.52 PRESSURE: 2612400 369.091 -70.6043 89.1515 -70.6038 182.887 135.917 89.1511 135.917 252.474 GPRESSURE: 2612400 329.063 -39.3004 151.212 59.7921 274.585 272.786 142.295 168.677 309.841 PRESSAVG: 2612400 33.0325 8.11392 -17.5786 8.11398 -55.6203 -49.9507 -17.5785 -49.9507 2.06368 GPRESSAVG: 2612400 32.8247 9.26355 -17.7991 9.18897 -55.6634 -50.3199 -18.5105 -50.6284 2.58447 TIMING: 2612400 CPU: 8158.35, 0.00315524/step Wall: 8158.35, 0.00315524/step, 2.09263 hours remaining, 234.050781 MB of memory in use. ENERGY: 2612400 3979.1106 20584.0998 14493.6835 260.0231 -203370.5906 3147.3238 0.0000 0.0000 52260.1703 -108646.1795 300.3399 -160906.3498 -108279.0470 300.6825 268.1506 304.4965 763014.5371 -6.8414 -6.7514 PRESSURE: 2612600 108.337 20.9469 -36.6974 20.9471 -193.286 -72.5734 -36.697 -72.5744 38.6146 GPRESSURE: 2612600 243.65 21.9301 -31.4203 2.46502 -254.055 -76.4258 -150.948 23.9969 39.1916 PRESSAVG: 2612600 2.09942 5.77088 -11.8235 5.77086 7.63724 -17.2241 -11.8234 -17.2241 -18.2088 GPRESSAVG: 2612600 3.68552 2.25954 -10.0715 7.89488 6.66614 -16.9907 -12.1038 -18.5626 -18.3502 TIMING: 2612600 CPU: 8158.97, 0.00310543/step Wall: 8158.97, 0.00310543/step, 2.05942 hours remaining, 234.050781 MB of memory in use. ENERGY: 2612600 4076.3736 20523.0565 14507.2242 248.3675 -203211.8768 2851.1703 0.0000 0.0000 52065.4823 -108940.2024 299.2210 -161005.6847 -108585.5509 300.0989 -15.4447 9.5958 763347.0447 -2.8240 -2.6662 PRESSURE: 2612800 148.277 195.25 15.2348 195.249 337.301 44.6803 15.2351 44.6797 109.009 GPRESSURE: 2612800 193.795 115.346 -3.20007 237.073 322.278 87.28 47.2075 21.2447 150.515 PRESSAVG: 2612800 -23.3526 93.0975 -7.18392 93.0975 10.7369 11.2508 -7.18385 11.2507 -15.1268 GPRESSAVG: 2612800 -24.9869 95.8885 -7.29078 90.9398 11.45 10.5251 -7.54615 11.9392 -14.2343 TIMING: 2612800 CPU: 8159.6, 0.00310619/step Wall: 8159.6, 0.00310619/step, 2.05975 hours remaining, 234.050781 MB of memory in use. ENERGY: 2612800 3954.4605 20605.2512 14412.5003 241.4973 -203060.8578 2963.8813 0.0000 0.0000 52033.3859 -108849.8813 299.0366 -160883.2672 -108491.4140 300.1302 198.1957 222.1961 763517.6685 -9.2475 -9.2571 PRESSURE: 2613000 -36.9001 23.0333 -14.185 23.0335 153.113 -172.322 -14.185 -172.323 -248.64 GPRESSURE: 2613000 1.04377 31.0378 1.84066 -17.7321 117.625 -190.32 100.615 -15.7798 -156.078 PRESSAVG: 2613000 26.6545 84.8245 1.48719 84.8245 -69.7679 9.8153 1.48715 9.81523 -5.57437 GPRESSAVG: 2613000 26.2417 84.5675 1.32525 85.1006 -68.8918 9.6218 4.93765 10.7863 -6.0292 TIMING: 2613000 CPU: 8160.21, 0.00309517/step Wall: 8160.21, 0.00309517/step, 2.05227 hours remaining, 234.050781 MB of memory in use. ENERGY: 2613000 3978.3604 20541.9196 14420.2761 240.7986 -202992.3870 2941.1997 0.0000 0.0000 51991.9110 -108877.9216 298.7982 -160869.8326 -108515.2885 299.7511 -44.1425 -12.4695 764094.2684 -16.2292 -16.2264 PRESSURE: 2613200 654.357 38.5799 277.879 38.5793 558.147 -111.423 277.879 -111.423 380.305 GPRESSURE: 2613200 667.447 26.2626 300.862 -3.44309 564.973 -61.9859 269.75 -123.286 457.463 PRESSAVG: 2613200 1.47616 -5.701 -20.9707 -5.70094 -6.56765 0.543947 -20.9706 0.543947 9.18408 GPRESSAVG: 2613200 2.04202 -4.3487 -19.5165 -6.36627 -6.79002 1.25497 -23.3938 0.931944 8.69303 TIMING: 2613200 CPU: 8160.83, 0.00310009/step Wall: 8160.83, 0.00310009/step, 2.05536 hours remaining, 234.050781 MB of memory in use. ENERGY: 2613200 3989.1563 20636.7055 14483.3290 248.1143 -203161.1742 2841.2695 0.0000 0.0000 52085.0642 -108877.5355 299.3336 -160962.5996 -108515.0758 299.7057 530.9365 563.2944 764110.6064 1.3642 1.3150 PRESSURE: 2613400 62.1541 -12.2137 -35.7767 -12.2135 -173.834 370.825 -35.7779 370.825 91.1275 GPRESSURE: 2613400 52.3103 13.7658 -3.4657 0.249214 -103.442 352.83 1.44275 220.313 111.209 PRESSAVG: 2613400 76.9087 27.0161 -31.7504 27.0161 10.905 4.58581 -31.7503 4.58583 14.4025 GPRESSAVG: 2613400 76.4251 25.0794 -34.2111 27.7463 9.97604 4.83237 -32.1981 3.15547 15.8278 TIMING: 2613400 CPU: 8161.45, 0.00310082/step Wall: 8161.45, 0.00310082/step, 2.05567 hours remaining, 234.050781 MB of memory in use. ENERGY: 2613400 4051.5896 20607.0601 14515.0569 245.7817 -203097.0453 2675.8605 0.0000 0.0000 51872.0013 -109129.6952 298.1091 -161001.6965 -108760.2224 299.9919 -6.8508 20.0257 763079.9270 34.0721 34.0763 PRESSURE: 2613600 -377.03 81.4604 -124.843 81.4607 -314.345 -244.237 -124.842 -244.237 33.8785 GPRESSURE: 2613600 -296.455 -89.7445 -27.5021 133.063 -310.631 -205.27 -125.392 -172.671 39.2507 PRESSAVG: 2613600 36.9794 28.2709 44.591 28.2709 -14.4512 29.4857 44.591 29.4857 -7.53552 GPRESSAVG: 2613600 37.7468 26.1043 45.6185 29.7388 -12.7778 30.7735 44.1204 28.5383 -9.52206 TIMING: 2613600 CPU: 8162.07, 0.00309246/step Wall: 8162.07, 0.00309246/step, 2.04996 hours remaining, 234.050781 MB of memory in use. ENERGY: 2613600 4014.3409 20439.3708 14483.5125 272.7232 -203084.0320 2588.0402 0.0000 0.0000 52330.9238 -108955.1206 300.7465 -161286.0444 -108581.2721 299.6374 -219.1657 -189.2784 762183.3267 4.9976 5.1490 PRESSURE: 2613800 -197.822 -183.319 -48.6251 -183.319 -31.7738 -184.507 -48.6253 -184.507 -178.336 GPRESSURE: 2613800 -219.273 -203.204 -30.4107 -196.791 12.1474 -301.607 55.7466 -118.131 -96.4303 PRESSAVG: 2613800 27.8669 40.9488 34.2968 40.9488 -7.96631 -81.4492 34.2968 -81.4492 4.01392 GPRESSAVG: 2613800 27.6842 41.9861 32.5913 40.5527 -9.92788 -84.0427 34.3642 -78.5125 6.11406 TIMING: 2613800 CPU: 8162.69, 0.00308787/step Wall: 8162.69, 0.00308787/step, 2.04674 hours remaining, 234.050781 MB of memory in use. ENERGY: 2613800 4014.5707 20478.4899 14376.1882 243.4342 -203126.7394 2728.7285 0.0000 0.0000 52216.3061 -109069.0218 300.0878 -161285.3279 -108694.5314 299.4230 -135.9772 -101.1854 762894.5780 7.9715 7.9568 PRESSURE: 2614000 -178.602 187.538 116.731 187.538 -214.38 82.3853 116.73 82.3858 179.791 GPRESSURE: 2614000 -192.727 147.895 135.045 150.881 -134.96 133.128 54.2888 46.6927 213.591 PRESSAVG: 2614000 -18.8907 -45.9214 28.7073 -45.9214 22.9341 -22.8597 28.7073 -22.8598 -3.44552 GPRESSAVG: 2614000 -20.3721 -44.4233 30.938 -46.7655 24.194 -21.7524 27.5583 -22.5698 -3.53297 TIMING: 2614000 CPU: 8163.31, 0.00308265/step Wall: 8163.31, 0.00308265/step, 2.04311 hours remaining, 234.050781 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: 2614000 4102.8025 20474.0461 14508.1017 247.3119 -203431.4397 2960.8057 0.0000 0.0000 52242.2209 -108896.1508 300.2368 -161138.3718 -108525.7001 299.8610 -71.0633 -38.0318 764035.3502 0.1993 0.0963 PRESSURE: 2614200 401.718 268.835 -347.792 268.835 -27.3842 194.712 -347.793 194.712 462.942 GPRESSURE: 2614200 463.15 278.96 -261.081 280.918 -1.81282 155.242 -244.117 82.6012 454.774 PRESSAVG: 2614200 -11.4003 35.2903 -0.401757 35.2904 -4.27923 -10.293 -0.401749 -10.293 2.94609 GPRESSAVG: 2614200 -9.01147 35.1814 -0.955753 36.1524 -6.00161 -11.3274 -0.925767 -12.2012 1.21362 TIMING: 2614200 CPU: 8163.93, 0.00310901/step Wall: 8163.93, 0.00310901/step, 2.06041 hours remaining, 234.050781 MB of memory in use. ENERGY: 2614200 3969.3427 20548.5449 14496.0907 250.8798 -203355.0740 3017.9643 0.0000 0.0000 52260.6319 -108811.6197 300.3426 -161072.2516 -108442.3734 300.0745 279.0918 305.3704 763249.6332 -4.2445 -4.5998 PRESSURE: 2614400 53.3659 99.7923 -21.8896 99.7926 77.4104 -161.653 -21.8894 -161.654 -143.993 GPRESSURE: 2614400 90.5293 138.855 -45.2965 89.9127 175.278 -56.4263 100.648 97.6895 -189.166 PRESSAVG: 2614400 20.8767 -67.4475 11.8973 -67.4476 -9.50603 10.3912 11.8974 10.3911 33.4815 GPRESSAVG: 2614400 19.6006 -67.1822 11.2558 -65.7779 -9.27083 11.7467 12.1146 11.7845 34.3641 TIMING: 2614400 CPU: 8164.55, 0.00312166/step Wall: 8164.55, 0.00312166/step, 2.06862 hours remaining, 234.050781 MB of memory in use. ENERGY: 2614400 4038.1673 20608.1713 14444.9763 257.5665 -203169.7182 2966.5956 0.0000 0.0000 52037.6875 -108816.5538 299.0613 -160854.2413 -108455.3513 299.9350 -4.4056 25.5470 764982.2312 14.9507 14.8980 PRESSURE: 2614600 -58.2467 -244.311 -217.586 -244.311 -317.19 -163.265 -217.586 -163.265 12.7924 GPRESSURE: 2614600 -111.695 -153.173 -308.655 -302.81 -149.835 -153.413 -108.783 -95.249 -23.3304 PRESSAVG: 2614600 -34.1844 -4.82508 -54.7185 -4.82508 -4.2813 24.3222 -54.7186 24.3222 -30.4505 GPRESSAVG: 2614600 -33.4993 -5.44828 -53.4872 -7.15138 -5.24557 24.6674 -55.4423 26.0399 -29.9915 TIMING: 2614600 CPU: 8165.18, 0.0031119/step Wall: 8165.18, 0.0031119/step, 2.06198 hours remaining, 234.050781 MB of memory in use. ENERGY: 2614600 4056.3141 20575.6891 14531.5472 263.5574 -202781.0115 2638.0077 0.0000 0.0000 52134.6533 -108581.2426 299.6186 -160715.8960 -108218.8584 300.0382 -120.8814 -94.9536 764678.3596 -22.9721 -22.9121 PRESSURE: 2614800 432.968 -44.5355 -201.887 -44.5365 22.8393 274.564 -201.887 274.564 236.061 GPRESSURE: 2614800 459.136 32.9776 -52.4959 -132.537 143.72 275.711 -301.368 237.988 177.312 PRESSAVG: 2614800 80.3143 1.10687 -30.1796 1.10685 -80.5497 -44.6432 -30.1797 -44.6433 30.81 GPRESSAVG: 2614800 79.4866 1.22923 -30.4455 3.3734 -79.4977 -46.5024 -30.1864 -43.8349 30.5622 TIMING: 2614800 CPU: 8165.8, 0.0031202/step Wall: 8165.8, 0.0031202/step, 2.0673 hours remaining, 234.050781 MB of memory in use. ENERGY: 2614800 3967.2484 20581.9574 14513.4988 228.5692 -203046.1457 2861.5154 0.0000 0.0000 52130.1726 -108763.1839 299.5928 -160893.3564 -108407.5931 299.6011 230.6225 260.0559 762683.6739 10.1916 10.1837 PRESSURE: 2615000 297.027 -46.7119 63.0003 -46.711 300.375 -152.884 63.0016 -152.883 -79.1466 GPRESSURE: 2615000 269.189 36.8314 46.2737 -119.036 315.065 -182.08 -59.8656 -94.5117 0.340192 PRESSAVG: 2615000 28.1046 -31.7209 71.4797 -31.7209 -21.2695 -93.6343 71.4797 -93.6343 -18.3737 GPRESSAVG: 2615000 28.7286 -31.7778 72.5006 -33.8938 -21.9543 -92.5704 72.1475 -95.4676 -18.3441 TIMING: 2615000 CPU: 8166.42, 0.00311033/step Wall: 8166.42, 0.00311033/step, 2.06059 hours remaining, 234.050781 MB of memory in use. ENERGY: 2615000 4058.2230 20552.6874 14549.6185 254.1091 -203062.4333 2755.1090 0.0000 0.0000 52099.3024 -108793.3840 299.4154 -160892.6864 -108419.0254 299.9424 172.7520 194.8648 761545.1014 -3.8462 -3.8566 PRESSURE: 2615200 -21.8235 26.8921 127.887 26.892 -38.1514 67.2595 127.887 67.2601 42.9996 GPRESSURE: 2615200 119.206 0.986523 56.5634 69.4983 -118.068 96.9719 149.436 36.6081 82.7244 PRESSAVG: 2615200 -31.3177 -6.76506 -36.6119 -6.76502 23.6341 -78.2548 -36.6119 -78.2547 7.88101 GPRESSAVG: 2615200 -31.751 -6.2585 -38.5787 -6.96095 23.1562 -77.46 -37.5599 -80.2237 9.18221 TIMING: 2615200 CPU: 8167.05, 0.00312305/step Wall: 8167.05, 0.00312305/step, 2.06885 hours remaining, 234.050781 MB of memory in use. ENERGY: 2615200 4067.1739 20625.0380 14478.8936 243.0835 -203231.4459 3011.2731 0.0000 0.0000 51996.5240 -108809.4598 298.8247 -160805.9838 -108442.6384 299.7990 -5.6584 27.9540 763510.6264 0.0658 0.1958 PRESSURE: 2615400 -354.477 -70.9314 19.0615 -70.9321 151.159 65.5363 19.0608 65.5353 75.6652 GPRESSURE: 2615400 -256.988 0.604411 50.3134 -192.498 198.519 133.061 13.4092 113.155 22.1664 PRESSAVG: 2615400 13.0009 14.7852 18.8247 14.7851 9.29608 -58.3461 18.8247 -58.3461 -31.0866 GPRESSAVG: 2615400 13.4158 15.7165 20.8901 14.6671 9.51596 -60.8441 19.487 -56.1101 -32.7346 TIMING: 2615400 CPU: 8167.67, 0.00311311/step Wall: 8167.67, 0.00311311/step, 2.06209 hours remaining, 234.050781 MB of memory in use. ENERGY: 2615400 4027.3265 20777.6590 14400.9729 246.3056 -202982.8272 2627.5299 0.0000 0.0000 52169.7038 -108733.3295 299.8200 -160903.0333 -108372.6740 300.0789 -42.5509 -12.1006 762778.7286 -2.9299 -3.2676 PRESSURE: 2615600 -21.3421 132.017 126.465 132.018 -1.97308 -212.025 126.465 -212.024 -25.3113 GPRESSURE: 2615600 76.8845 145.505 115.35 121.692 -1.69727 -243.779 4.40959 -228.709 -44.7568 PRESSAVG: 2615600 11.3536 13.5908 29.8941 13.5908 -28.1163 4.1835 29.8941 4.18345 19.1085 GPRESSAVG: 2615600 11.711 14.0227 27.7276 13.3687 -28.2767 4.28651 29.5209 3.32087 18.7575 TIMING: 2615600 CPU: 8168.29, 0.00309867/step Wall: 8168.29, 0.00309867/step, 2.05235 hours remaining, 234.050781 MB of memory in use. ENERGY: 2615600 4049.8618 20646.7892 14483.3222 263.7896 -203420.3084 2892.6383 0.0000 0.0000 52299.1007 -108784.8065 300.5637 -161083.9073 -108431.8248 300.8003 -16.2089 10.1435 761901.2426 0.7819 0.7306 PRESSURE: 2615800 -501.354 -164.747 113.818 -164.747 -329.63 -132.642 113.818 -132.642 -203.458 GPRESSURE: 2615800 -325.4 -78.6553 160.557 -173.487 -349.046 -192.19 41.282 31.0852 -283.384 PRESSAVG: 2615800 15.6678 6.60057 6.73304 6.60061 -18.5395 -40.7436 6.73306 -40.7436 6.58426 GPRESSAVG: 2615800 14.9812 6.72446 8.27833 6.51293 -17.5217 -39.0039 6.8902 -39.879 5.90585 TIMING: 2615800 CPU: 8168.91, 0.00310906/step Wall: 8168.91, 0.00310906/step, 2.05906 hours remaining, 234.050781 MB of memory in use. ENERGY: 2615800 4007.9004 20596.0716 14412.7673 256.0296 -202843.2708 2356.8325 0.0000 0.0000 52155.2701 -109058.3995 299.7371 -161213.6695 -108702.7577 300.0095 -344.8141 -319.2765 763892.9390 1.2375 1.1218 PRESSURE: 2616000 -516.082 172.295 -32.3197 172.294 -39.5979 243.444 -32.32 243.442 -123.325 GPRESSURE: 2616000 -395.218 145.94 -68.835 90.7369 -21.4825 209.298 34.2363 209.166 -168.447 PRESSAVG: 2616000 61.7719 -1.88076 -2.5741 -1.88071 -25.5874 -37.1322 -2.57415 -37.1322 19.017 GPRESSAVG: 2616000 61.7042 -1.53888 -4.28033 -3.9077 -26.0713 -38.7456 -1.41565 -37.5287 19.1988 TIMING: 2616000 CPU: 8169.53, 0.00310306/step Wall: 8169.53, 0.00310306/step, 2.05492 hours remaining, 234.050781 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: 2616000 4041.8416 20590.3416 14468.1208 259.1981 -203288.1485 2701.2461 0.0000 0.0000 51954.2621 -109273.1381 298.5819 -161227.4002 -108913.9684 299.2674 -226.3349 -195.0493 761572.5006 18.4005 18.2772 PRESSURE: 2616200 -67.8147 -79.8341 -22.6747 -79.8342 84.0705 11.7445 -22.6744 11.7462 -201.47 GPRESSURE: 2616200 43.6872 -102.717 33.5724 -102.101 56.0638 -28.1138 131.729 49.5675 -190.975 PRESSAVG: 2616200 29.5603 10.7355 16.4649 10.7355 -21.9183 8.08076 16.465 8.08073 6.51772 GPRESSAVG: 2616200 29.6231 10.5886 17.556 12.2951 -21.5663 8.63197 16.033 6.66186 7.01584 TIMING: 2616200 CPU: 8170.15, 0.00308482/step Wall: 8170.15, 0.00308482/step, 2.04267 hours remaining, 234.050781 MB of memory in use. ENERGY: 2616200 4047.9583 20533.3728 14499.1572 226.3872 -203415.4849 2619.2280 0.0000 0.0000 52208.5224 -109280.8589 300.0431 -161489.3813 -108916.9554 298.7411 -61.7382 -30.4079 762451.1979 4.7199 5.0242 LDB: ============= START OF LOAD BALANCING ============== 8182.62 LDB: ============== END OF LOAD BALANCING =============== 8182.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8182.63 LDB: ============= START OF LOAD BALANCING ============== 8182.94 LDB: Largest compute 7034 load 0.028925 is 14.8% of average load 0.195137 LDB: Average compute 0.004381 is 2.2% of average load 0.195137 LDB: TIME 8182.94 LOAD: AVG 0.195137 MAX 0.214548 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.051 MB LDB: TIME 8182.94 LOAD: AVG 0.195137 MAX 0.214548 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.051 MB LDB: TIME 8182.94 LOAD: AVG 0.195137 MAX 0.214548 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.051 MB LDB: ============== END OF LOAD BALANCING =============== 8182.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8182.95 PRESSURE: 2616400 82.2425 120.734 225.099 120.734 -57.5225 301.394 225.099 301.394 358.884 GPRESSURE: 2616400 123.594 119.384 170.274 162.454 -45.2472 238.638 161.755 234.956 381.124 PRESSAVG: 2616400 3.89892 -44.6432 -28.7705 -44.6432 -4.1189 -1.41312 -28.7705 -1.41311 -6.15147 GPRESSAVG: 2616400 3.51431 -45.2953 -28.5119 -44.5289 -4.31217 -0.671724 -27.0609 -1.88916 -5.63545 TIMING: 2616400 CPU: 8170.78, 0.00316351/step Wall: 8170.78, 0.00316351/step, 2.0946 hours remaining, 234.824219 MB of memory in use. ENERGY: 2616400 4051.6553 20571.1797 14485.6648 232.4339 -203397.7292 2847.8931 0.0000 0.0000 51989.4571 -109219.4453 298.7841 -161208.9023 -108856.1459 298.9234 127.8679 153.1571 762837.6459 -2.1238 -2.1444 PRESSURE: 2616600 -96.7486 -142.694 -91.6699 -142.694 188.279 -31.2519 -91.6697 -31.2516 291.586 GPRESSURE: 2616600 -31.2919 -106.682 74.5392 -152.111 313.86 -8.18754 -175.228 37.6433 177.505 PRESSAVG: 2616600 40.9845 24.7497 5.9252 24.7496 -44.6174 61.1959 5.92524 61.1958 28.6785 GPRESSAVG: 2616600 41.2685 24.3364 6.352 24.7682 -44.8282 63.2387 5.64154 60.0579 28.5332 TIMING: 2616600 CPU: 8171.4, 0.00310324/step Wall: 8171.4, 0.00310324/step, 2.05452 hours remaining, 234.824219 MB of memory in use. ENERGY: 2616600 3934.4952 20569.1481 14484.5773 260.6720 -203199.6809 2747.0496 0.0000 0.0000 52061.3565 -109142.3821 299.1973 -161203.7386 -108786.5136 299.2995 127.7053 153.3578 763563.3640 8.3486 8.3245 PRESSURE: 2616800 15.6208 62.3948 12.4063 62.3948 3.09519 -178.029 12.4056 -178.03 -65.7865 GPRESSURE: 2616800 22 42.3346 140.731 27.2557 48.9248 -221.813 -40.9481 -130.298 -40.3545 PRESSAVG: 2616800 12.5166 30.6879 8.39225 30.6879 -34.8282 -5.41134 8.39223 -5.41136 -7.89196 GPRESSAVG: 2616800 13.6472 30.5338 9.64101 31.4339 -34.9256 -8.22226 7.2998 -3.35025 -9.29627 TIMING: 2616800 CPU: 8172.02, 0.00310924/step Wall: 8172.02, 0.00310924/step, 2.05831 hours remaining, 234.824219 MB of memory in use. ENERGY: 2616800 3914.9077 20596.7372 14542.5913 257.8294 -203527.2777 2791.6681 0.0000 0.0000 52162.3249 -109261.2191 299.7776 -161423.5439 -108891.2145 298.8033 -15.6902 10.1901 761437.6622 -10.0678 -10.1915 PRESSURE: 2617000 358.6 53.3665 16.0441 53.3675 330.989 -13.9839 16.0443 -13.9837 423.647 GPRESSURE: 2617000 420.18 -57.4648 -55.3632 21.7807 341.862 -1.22564 77.4809 44.5763 442.566 PRESSAVG: 2617000 51.2978 30.2866 -48.266 30.2866 -10.7481 -34.6072 -48.266 -34.6072 11.6987 GPRESSAVG: 2617000 51.6232 30.2039 -49.0759 31.6362 -11.1629 -34.6704 -47.854 -33.9033 12.6588 TIMING: 2617000 CPU: 8172.64, 0.00308827/step Wall: 8172.64, 0.00308827/step, 2.04426 hours remaining, 234.824219 MB of memory in use. ENERGY: 2617000 3967.9921 20629.1748 14421.9311 257.5744 -203726.0047 3189.9617 0.0000 0.0000 51944.5402 -109314.8305 298.5260 -161259.3707 -108955.5965 299.2303 371.0789 401.5360 763054.9823 17.4161 17.7064 PRESSURE: 2617200 131.283 172.026 -133.772 172.026 -341.988 -136.908 -133.772 -136.908 -93.2846 GPRESSURE: 2617200 89.6087 158.937 -130.337 61.5049 -219.43 -104.959 -134.965 -116.022 -96.7152 PRESSAVG: 2617200 13.9149 -1.28622 -10.2364 -1.28617 -33.4884 2.45106 -10.2363 2.4511 -8.15496 GPRESSAVG: 2617200 13.9956 1.01794 -9.99421 -3.95034 -33.923 2.29262 -10.9585 2.40168 -7.58517 TIMING: 2617200 CPU: 8173.26, 0.00309935/step Wall: 8173.26, 0.00309935/step, 2.05142 hours remaining, 234.824219 MB of memory in use. ENERGY: 2617200 4028.9538 20574.1436 14467.5993 223.3944 -203425.2620 2866.1917 0.0000 0.0000 52180.7410 -109084.2382 299.8834 -161264.9792 -108724.0005 299.0658 -101.3297 -75.5121 763744.5144 -9.2428 -9.1708 PRESSURE: 2617400 7.5322 -10.2568 35.1665 -10.2569 140.691 -147.478 35.1657 -147.478 553.845 GPRESSURE: 2617400 124.606 -22.423 122.82 79.4296 164.041 -130.839 21.8072 -93.3141 506.368 PRESSAVG: 2617400 6.15694 74.6627 36.4591 74.6628 7.63755 -73.7284 36.4591 -73.7284 12.1155 GPRESSAVG: 2617400 5.45068 73.6542 34.6811 78.1289 9.20688 -73.2453 37.5422 -74.2682 11.356 TIMING: 2617400 CPU: 8173.88, 0.00309637/step Wall: 8173.88, 0.00309637/step, 2.04928 hours remaining, 234.824219 MB of memory in use. ENERGY: 2617400 3955.2977 20638.5859 14377.3902 238.2445 -203578.3599 2987.2196 0.0000 0.0000 52182.1008 -109199.5211 299.8913 -161381.6219 -108847.1472 299.3130 234.0227 265.0052 763385.4161 8.6367 8.6712 PRESSURE: 2617600 25.0539 168.312 -100.105 168.311 246.276 138.382 -100.106 138.382 334.696 GPRESSURE: 2617600 17.2809 100.074 -121.846 90.5315 297.969 222.817 -35.7487 109.887 386.477 PRESSAVG: 2617600 -24.9923 109.988 34.1957 109.988 15.7537 -18.7423 34.1957 -18.7423 0.537015 GPRESSAVG: 2617600 -24.4892 108.295 36.3497 108.1 14.2669 -18.7611 33.2786 -17.8848 1.55781 TIMING: 2617600 CPU: 8174.5, 0.00309561/step Wall: 8174.5, 0.00309561/step, 2.04861 hours remaining, 234.824219 MB of memory in use. ENERGY: 2617600 3986.0541 20411.8166 14433.5772 239.1436 -203515.7993 2898.6947 0.0000 0.0000 52196.6814 -109349.8318 299.9750 -161546.5132 -108996.7235 299.1082 202.0087 233.9091 762578.9127 -2.9005 -2.8882 PRESSURE: 2617800 227.868 104.603 48.8429 104.603 144.878 -160.33 48.842 -160.33 135.814 GPRESSURE: 2617800 286.764 -75.6576 -93.4744 141.858 184.976 -39.3608 -2.30365 -79.7278 121.325 PRESSAVG: 2617800 6.74899 84.3869 0.81428 84.3869 29.7076 -8.7727 0.814242 -8.77268 -9.44337 GPRESSAVG: 2617800 7.3793 83.0102 -1.10838 83.5846 29.8611 -9.21689 0.306427 -8.78599 -10.2071 TIMING: 2617800 CPU: 8175.12, 0.00312236/step Wall: 8175.12, 0.00312236/step, 2.06614 hours remaining, 234.824219 MB of memory in use. ENERGY: 2617800 3900.2022 20645.0136 14515.0689 239.9790 -203169.5227 2707.5186 0.0000 0.0000 52109.7105 -109052.0299 299.4752 -161161.7405 -108692.1952 299.3106 169.5199 197.6883 763366.1231 9.0044 9.0111 PRESSURE: 2618000 9.53575 2.36858 323.474 2.36775 145.427 -98.3842 323.474 -98.3844 620.13 GPRESSURE: 2618000 79.644 39.5719 304.184 2.99194 253.802 -91.47 241.002 -33.1629 519.447 PRESSAVG: 2618000 3.47545 37.9022 52.4332 37.9022 -25.5452 24.286 52.4332 24.286 -6.46961 GPRESSAVG: 2618000 1.92805 39.1859 53.2668 40.8805 -23.4548 23.7471 51.0535 23.4645 -6.79177 TIMING: 2618000 CPU: 8175.75, 0.00311509/step Wall: 8175.75, 0.00311509/step, 2.06115 hours remaining, 234.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2618000 4028.5731 20626.7029 14500.3476 281.3772 -202866.4572 2652.5718 0.0000 0.0000 51950.6195 -108826.2651 298.5609 -160776.8846 -108478.6726 299.6754 258.3645 284.2977 763156.0860 -9.5131 -9.4395 PRESSURE: 2618200 11.8326 158.573 160.22 158.574 -444.807 268.059 160.221 268.059 -28.1714 GPRESSURE: 2618200 -79.924 137.63 277.188 113.508 -303.704 352.988 77.186 209.215 6.23125 PRESSAVG: 2618200 -48.2051 94.2093 48.2854 94.2094 15.1819 -1.06142 48.2854 -1.0614 9.14067 GPRESSAVG: 2618200 -49.9511 97.4985 47.5816 90.594 15.5155 2.15901 51.2169 -2.37072 10.3566 TIMING: 2618200 CPU: 8176.37, 0.0031192/step Wall: 8176.37, 0.0031192/step, 2.0637 hours remaining, 234.824219 MB of memory in use. ENERGY: 2618200 3990.5784 20532.8001 14522.4365 244.7615 -203143.0850 2634.3001 0.0000 0.0000 52121.1916 -109097.0168 299.5412 -161218.2084 -108721.4300 299.6080 -153.7154 -125.7990 763749.2736 -7.9608 -8.0264 PRESSURE: 2618400 88.5129 48.6135 -191.282 48.6139 121.349 117.184 -191.281 117.186 -476.716 GPRESSURE: 2618400 77.3043 -94.4851 -173.669 53.597 136.645 118.019 -127.5 24.7213 -391.806 PRESSAVG: 2618400 -7.9689 32.8746 -1.30934 32.8746 -24.824 2.53802 -1.30932 2.53809 23.6435 GPRESSAVG: 2618400 -6.65968 29.6832 -2.1512 34.6276 -25.606 0.548644 -3.29179 5.06108 22.9126 TIMING: 2618400 CPU: 8176.99, 0.0031022/step Wall: 8176.99, 0.0031022/step, 2.05228 hours remaining, 234.824219 MB of memory in use. ENERGY: 2618400 3970.8131 20581.6611 14533.9135 235.7362 -203167.1726 2633.0955 0.0000 0.0000 52295.7957 -108916.1575 300.5447 -161211.9532 -108561.7113 299.6565 -88.9511 -59.2855 762823.9448 -3.0498 -3.1177 PRESSURE: 2618600 -337.78 191.906 -313.83 191.906 -27.8732 -226.081 -313.83 -226.081 -172.425 GPRESSURE: 2618600 -232.021 178.985 -250.879 61.2353 -85.152 -311.541 -332.791 -281.364 -129.593 PRESSAVG: 2618600 9.78041 34.0058 45.0646 34.0059 -11.828 -0.890508 45.0647 -0.890422 1.52633 GPRESSAVG: 2618600 10.2633 33.4055 46.3949 33.279 -11.6701 -0.416568 47.0818 -3.36521 1.54317 TIMING: 2618600 CPU: 8177.61, 0.00311641/step Wall: 8177.61, 0.00311641/step, 2.0615 hours remaining, 234.824219 MB of memory in use. ENERGY: 2618600 3996.8400 20392.8957 14513.4642 245.8733 -203173.2377 2754.9176 0.0000 0.0000 52206.9673 -109062.2796 300.0342 -161269.2469 -108697.2694 299.4474 -179.3594 -148.9219 763688.9381 -0.1738 0.0454 PRESSURE: 2618800 -330.007 167.145 228.403 167.146 7.58317 56.5373 228.404 56.5378 310.81 GPRESSURE: 2618800 -332.583 184.063 177.145 137.466 151.699 124.797 116.019 56.3945 237.658 PRESSAVG: 2618800 -42.8348 36.0429 23.2442 36.0429 38.4907 57.8732 23.2442 57.8732 21.0474 GPRESSAVG: 2618800 -42.6936 38.7223 24.0308 36.7451 38.4234 56.9135 23.5339 60.9891 21.4511 TIMING: 2618800 CPU: 8178.23, 0.00309713/step Wall: 8178.23, 0.00309713/step, 2.04858 hours remaining, 234.824219 MB of memory in use. ENERGY: 2618800 3987.9070 20501.7459 14433.2488 223.9523 -203749.0478 2986.6574 0.0000 0.0000 52499.5914 -109115.9450 301.7159 -161615.5365 -108748.2274 299.6635 -3.8714 18.9244 763008.9230 5.5678 5.7270 PRESSURE: 2619000 23.1967 132.126 70.2579 132.126 86.0208 254.447 70.2585 254.445 105.075 GPRESSURE: 2619000 53.2914 50.2194 39.717 97.3752 122.968 256.707 73.0476 222.188 127.728 PRESSAVG: 2619000 26.3304 65.7167 -34.9045 65.7167 -30.0444 81.7143 -34.9044 81.7143 19.6771 GPRESSAVG: 2619000 26.6306 64.5914 -33.9032 64.9609 -29.7528 80.5719 -37.4991 80.0554 18.5732 TIMING: 2619000 CPU: 8178.85, 0.00309524/step Wall: 8178.85, 0.00309524/step, 2.04716 hours remaining, 234.824219 MB of memory in use. ENERGY: 2619000 3981.0298 20410.9683 14437.4093 239.5361 -203282.3052 2881.8643 0.0000 0.0000 52249.1776 -109082.3198 300.2767 -161331.4974 -108718.2350 299.2375 71.4308 101.3290 762199.8128 5.3210 5.1503 PRESSURE: 2619200 347.549 -69.077 70.6302 -69.0764 172.972 36.1681 70.6306 36.1683 133.742 GPRESSURE: 2619200 301.051 -72.4102 65.8004 -38.6759 208.71 51.9186 63.7298 0.324817 212.339 PRESSAVG: 2619200 -6.53496 11.2201 -25.6369 11.22 -1.09556 8.14703 -25.637 8.14705 9.96496 GPRESSAVG: 2619200 -6.87083 10.8611 -28.7042 10.7125 -1.44836 10.7295 -25.057 6.23616 10.1686 TIMING: 2619200 CPU: 8179.47, 0.00309605/step Wall: 8179.47, 0.00309605/step, 2.04752 hours remaining, 234.824219 MB of memory in use. ENERGY: 2619200 3918.6330 20597.5949 14437.4293 239.9454 -203171.6580 2640.4291 0.0000 0.0000 52046.2737 -109291.3526 299.1107 -161337.6263 -108928.6349 299.0343 218.0876 240.7001 761329.3680 0.7781 0.6165 PRESSURE: 2619400 -105.252 -95.5079 10.0549 -95.5093 38.397 32.2105 10.0548 32.2102 299.37 GPRESSURE: 2619400 -129.132 -74.2346 5.39028 72.4264 89.3658 86.714 -23.6454 -4.83834 353.964 PRESSAVG: 2619400 -36.0451 5.30173 -27.7985 5.30169 5.01335 11.2955 -27.7985 11.2955 -19.4015 GPRESSAVG: 2619400 -35.4946 6.10489 -26.5442 5.6908 4.6758 10.479 -24.3213 14.7646 -19.361 TIMING: 2619400 CPU: 8180.1, 0.00311481/step Wall: 8180.1, 0.00311481/step, 2.05976 hours remaining, 234.824219 MB of memory in use. ENERGY: 2619400 3931.5738 20443.0231 14454.4439 235.3151 -203307.0392 2808.1145 0.0000 0.0000 52179.9057 -109254.6632 299.8786 -161434.5689 -108893.9895 299.2091 77.5049 104.7327 761352.0855 -16.8111 -16.7266 PRESSURE: 2619600 -99.549 -92.8425 52.4291 -92.8417 49.1571 66.2712 52.4302 66.2705 42.832 GPRESSURE: 2619600 -61.0211 -16.7239 37.4026 -120.083 137.521 30.017 70.9479 -11.0157 8.83045 PRESSAVG: 2619600 33.7019 13.4945 31.165 13.4945 36.926 -16.4667 31.1651 -16.4668 0.516402 GPRESSAVG: 2619600 32.5331 14.6396 31.9426 13.4501 37.3466 -16.4231 28.7568 -16.4059 1.08193 TIMING: 2619600 CPU: 8180.72, 0.00311141/step Wall: 8180.72, 0.00311141/step, 2.05733 hours remaining, 234.824219 MB of memory in use. ENERGY: 2619600 4004.3547 20440.1673 14461.9563 222.7691 -203037.6736 2584.9348 0.0000 0.0000 52193.6002 -109129.8911 299.9573 -161323.4914 -108758.8872 299.1694 -2.5200 28.4435 761767.4692 23.7148 23.6539 PRESSURE: 2619800 -36.7315 40.7438 62.4817 40.7437 343.866 14.5714 62.4822 14.5726 399.519 GPRESSURE: 2619800 57.1147 92.3905 -9.14778 48.9119 271.022 -111.778 -58.6205 160.845 439.295 PRESSAVG: 2619800 -18.9608 -33.1962 -19.2525 -33.1961 -21.3097 2.89808 -19.2525 2.89813 2.71429 GPRESSAVG: 2619800 -16.9882 -33.7523 -22.6722 -33.087 -21.1573 2.64341 -16.7725 2.42493 0.86724 TIMING: 2619800 CPU: 8181.34, 0.00309123/step Wall: 8181.34, 0.00309123/step, 2.04382 hours remaining, 234.824219 MB of memory in use. ENERGY: 2619800 3954.4464 20586.6737 14423.7372 240.0830 -203569.8107 3206.3425 0.0000 0.0000 52092.7787 -109065.7492 299.3779 -161158.5278 -108704.1540 299.1756 235.5511 255.8106 762577.8939 -12.5187 -12.4261 PRESSURE: 2620000 208.054 119.027 -79.0414 119.027 -145.447 -5.90286 -79.0405 -5.90205 68.2914 GPRESSURE: 2620000 358.622 32.454 -103.87 128.36 -111.656 -2.1908 11.2239 -150.46 -16.3134 PRESSAVG: 2620000 17.116 -27.3826 10.6685 -27.3826 -2.59145 -15.7187 10.6684 -15.7187 -12.4783 GPRESSAVG: 2620000 16.4635 -29.8691 13.6422 -25.5835 -2.34938 -14.9604 7.82694 -17.9489 -12.1891 TIMING: 2620000 CPU: 8181.95, 0.00309232/step Wall: 8181.95, 0.00309232/step, 2.04437 hours remaining, 234.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2620000 4003.8743 20433.9922 14441.7901 241.6349 -203270.1141 3035.0994 0.0000 0.0000 52029.7808 -109083.9425 299.0159 -161113.7232 -108719.1010 299.9481 43.6327 76.8842 762107.6143 0.6821 0.6417 PRESSURE: 2620200 -49.3652 41.1614 -83.3082 41.1608 28.2728 105.113 -83.3089 105.113 516.62 GPRESSURE: 2620200 -1.282 46.6218 -46.395 149.623 122.279 93.1217 -191.306 145.88 478.922 PRESSAVG: 2620200 -11.9495 -65.8515 -44.9172 -65.8515 25.023 -38.4116 -44.9171 -38.4116 2.53263 GPRESSAVG: 2620200 -11.2573 -63.9375 -45.4171 -65.7437 24.1128 -38.3025 -46.0443 -37.5436 3.19862 TIMING: 2620200 CPU: 8182.57, 0.00309036/step Wall: 8182.57, 0.00309036/step, 2.0429 hours remaining, 234.824219 MB of memory in use. ENERGY: 2620200 3986.7156 20540.5675 14409.7007 251.5556 -203754.7581 3338.2836 0.0000 0.0000 52187.0358 -109040.8994 299.9196 -161227.9352 -108690.1360 300.1500 165.1759 199.9731 761750.9512 5.2020 5.3514 LDB: ============= START OF LOAD BALANCING ============== 8195.05 LDB: ============== END OF LOAD BALANCING =============== 8195.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8195.05 LDB: ============= START OF LOAD BALANCING ============== 8195.36 LDB: Largest compute 7064 load 0.031408 is 16.1% of average load 0.195065 LDB: Average compute 0.004405 is 2.3% of average load 0.195065 LDB: TIME 8195.36 LOAD: AVG 0.195065 MAX 0.216349 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.23 MB LDB: TIME 8195.36 LOAD: AVG 0.195065 MAX 0.216349 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.234 MB LDB: TIME 8195.36 LOAD: AVG 0.195065 MAX 0.216349 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.234 MB LDB: ============== END OF LOAD BALANCING =============== 8195.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8195.37 PRESSURE: 2620400 152.226 -152.843 142.631 -152.843 14.5505 163.07 142.631 163.069 114.205 GPRESSURE: 2620400 208.866 -267.311 102.916 -193.287 7.18581 149.722 117.616 118.797 178.473 PRESSAVG: 2620400 62.7897 -29.0404 69.5563 -29.0404 -75.6824 7.48933 69.5562 7.48934 26.3614 GPRESSAVG: 2620400 61.3373 -28.9324 69.2083 -31.7544 -74.4638 7.85401 69.7633 5.925 26.6957 TIMING: 2620400 CPU: 8183.21, 0.00316807/step Wall: 8183.21, 0.00316807/step, 2.09409 hours remaining, 234.050781 MB of memory in use. ENERGY: 2620400 3945.0921 20514.4385 14514.7224 232.0217 -203253.7458 2889.0281 0.0000 0.0000 52099.0344 -109059.4085 299.4139 -161158.4429 -108685.9728 300.0220 93.6605 131.5082 763185.4000 4.4896 4.5231 PRESSURE: 2620600 -172.039 -42.5505 -35.0222 -42.5505 137.587 73.7261 -35.0217 73.7254 336.25 GPRESSURE: 2620600 -64.5326 11.0854 -104.111 -94.9152 143.018 77.5231 69.4441 113.8 290.435 PRESSAVG: 2620600 11.9574 -21.989 29.2823 -21.9889 -21.2991 -5.9458 29.2823 -5.94586 1.48918 GPRESSAVG: 2620600 13.6015 -23.824 29.1969 -20.6803 -21.3899 -6.71848 32.679 -3.99958 0.00958212 TIMING: 2620600 CPU: 8183.82, 0.00308395/step Wall: 8183.82, 0.00308395/step, 2.03832 hours remaining, 234.253906 MB of memory in use. ENERGY: 2620600 3880.3088 20562.6582 14390.0978 247.8512 -203144.4807 3004.1187 0.0000 0.0000 51951.2135 -109108.2325 298.5643 -161059.4461 -108742.3515 299.3211 100.5994 122.9736 765758.4452 -2.6175 -2.5930 PRESSURE: 2620800 29.3715 83.12 120.495 83.1201 -225.833 304.874 120.495 304.874 413.35 GPRESSURE: 2620800 -12.7071 110.265 88.9396 29.7385 -98.1556 278.835 69.6499 208.533 394.822 PRESSAVG: 2620800 70.8494 10.3809 11.4651 10.3809 -43.0725 -3.52554 11.4652 -3.52556 -21.568 GPRESSAVG: 2620800 70.6835 10.6305 11.3628 10.4967 -43.873 -3.65987 6.84704 -4.036 -20.7399 TIMING: 2620800 CPU: 8184.44, 0.00310753/step Wall: 8184.44, 0.00310753/step, 2.05374 hours remaining, 234.253906 MB of memory in use. ENERGY: 2620800 3938.4714 20599.8180 14446.3863 261.5556 -203003.0875 2666.7243 0.0000 0.0000 51922.2846 -109167.8473 298.3981 -161090.1319 -108797.3631 299.1107 72.2962 94.6533 765235.6475 2.0696 2.0235 PRESSURE: 2621000 -469.399 107.036 6.93489 107.035 -305.75 21.9826 6.9354 21.9839 -511.852 GPRESSURE: 2621000 -394.799 47.6947 -10.7843 193.763 -355.714 -9.79629 189.766 143.889 -455.295 PRESSAVG: 2621000 84.2511 8.0767 14.6798 8.07677 -44.3995 23.9337 14.6798 23.9338 16.0085 GPRESSAVG: 2621000 83.5295 8.22523 14.6071 8.08883 -43.7687 23.4742 17.6114 22.8477 16.0536 TIMING: 2621000 CPU: 8185.06, 0.00308653/step Wall: 8185.06, 0.00308653/step, 2.03968 hours remaining, 234.253906 MB of memory in use. ENERGY: 2621000 4026.9356 20522.3231 14430.5563 245.9134 -203234.7997 2831.0311 0.0000 0.0000 51872.3673 -109305.6729 298.1112 -161178.0403 -108946.1708 299.1505 -428.9999 -401.9359 766266.9453 18.6200 18.6048 PRESSURE: 2621200 -44.039 122.528 14.7793 122.528 -394.39 -72.1051 14.7784 -72.1056 274.212 GPRESSURE: 2621200 -2.74864 137.222 29.5003 250.966 -307.021 -62.6351 -70.2594 5.30003 248.418 PRESSAVG: 2621200 -32.1215 22.9161 23.505 22.9161 -56.6005 -23.4822 23.505 -23.4821 15.179 GPRESSAVG: 2621200 -33.3254 22.0968 23.2028 24.0739 -55.3948 -23.7257 23.0019 -22.1721 15.5415 TIMING: 2621200 CPU: 8185.68, 0.00309899/step Wall: 8185.68, 0.00309899/step, 2.04774 hours remaining, 234.253906 MB of memory in use. ENERGY: 2621200 4025.1002 20487.4173 14418.2595 238.1568 -203226.8037 2775.3815 0.0000 0.0000 52046.6732 -109235.8152 299.1129 -161282.4884 -108875.5054 298.5650 -54.7393 -20.4504 764412.4113 -24.5143 -24.3929 PRESSURE: 2621400 -427.975 19.9515 52.8765 19.9511 80.8862 -3.53074 52.8769 -3.53085 -119.033 GPRESSURE: 2621400 -353.291 13.0115 55.4446 6.77938 45.8692 -11.6374 66.7343 41.1841 -71.5979 PRESSAVG: 2621400 6.6134 -14.0264 47.7104 -14.0263 -9.6944 -12.259 47.7105 -12.259 -15.5358 GPRESSAVG: 2621400 8.1942 -12.6423 48.4978 -15.3079 -11.4181 -13.1431 48.2214 -12.8038 -15.4576 TIMING: 2621400 CPU: 8186.31, 0.00311923/step Wall: 8186.31, 0.00311923/step, 2.06095 hours remaining, 234.253906 MB of memory in use. ENERGY: 2621400 4029.7974 20725.6369 14480.7813 240.7543 -203470.2819 2773.1247 0.0000 0.0000 52095.4275 -109124.7598 299.3931 -161220.1873 -108756.5527 298.7276 -155.3737 -126.3398 763802.3424 -6.2056 -6.2272 PRESSURE: 2621600 449.365 61.3797 42.5814 61.3799 -351.247 -13.1108 42.581 -13.1111 56.3641 GPRESSURE: 2621600 450.322 -112.232 70.6332 63.4591 -293.507 73.2216 -79.3376 21.9704 84.1591 PRESSAVG: 2621600 41.4308 14.0917 55.9269 14.0917 -56.8483 -4.83515 55.9269 -4.83511 0.787602 GPRESSAVG: 2621600 42.884 14.7804 55.9443 14.2365 -57.1248 -2.45876 53.1545 -3.0445 -0.0825012 TIMING: 2621600 CPU: 8186.93, 0.00314016/step Wall: 8186.93, 0.00314015/step, 2.0746 hours remaining, 234.253906 MB of memory in use. ENERGY: 2621600 4067.8551 20426.5427 14423.6419 221.4709 -203327.2261 2913.3571 0.0000 0.0000 52157.7364 -109116.6221 299.7512 -161274.3585 -108743.3121 299.4434 51.4941 80.3247 764168.0671 -4.8766 -4.7744 PRESSURE: 2621800 132.301 273.473 -124.259 273.473 -417.535 127.178 -124.259 127.177 -152.501 GPRESSURE: 2621800 110.755 351.115 -41.8322 174.894 -250.816 121.413 -146.837 85.3305 -199.476 PRESSAVG: 2621800 64.3705 48.7065 6.548 48.7065 -74.2887 19.5412 6.54807 19.5413 -2.48407 GPRESSAVG: 2621800 61.3717 48.4294 4.78293 50.0921 -71.9391 18.8321 8.0928 17.9565 -1.61734 TIMING: 2621800 CPU: 8187.56, 0.00312598/step Wall: 8187.56, 0.00312598/step, 2.06506 hours remaining, 234.253906 MB of memory in use. ENERGY: 2621800 3996.7124 20510.6685 14465.3973 238.3031 -202863.1043 2520.1971 0.0000 0.0000 52212.0968 -108919.7290 300.0636 -161131.8259 -108552.0491 299.3331 -145.9116 -113.1789 763493.5393 -4.1341 -4.0616 PRESSURE: 2622000 212.289 69.9814 -174.209 69.9806 -76.4874 77.6373 -174.209 77.6358 -87.889 GPRESSURE: 2622000 236.97 57.9992 -185.996 40.4726 -12.148 63.3927 -113.045 102.969 -89.312 PRESSAVG: 2622000 6.52275 47.752 -26.007 47.752 -13.4381 7.71775 -26.0071 7.71772 -14.8813 GPRESSAVG: 2622000 8.51797 46.1682 -23.9277 46.0497 -14.5789 8.28668 -26.683 7.05386 -15.8451 TIMING: 2622000 CPU: 8188.18, 0.00311105/step Wall: 8188.18, 0.00311105/step, 2.05502 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2622000 3974.6426 20595.5966 14454.8362 257.1202 -203290.9854 2878.8572 0.0000 0.0000 52145.4435 -108984.4890 299.6806 -161129.9326 -108625.8763 299.7457 15.9709 45.1700 763628.0251 -7.2656 -7.3020 PRESSURE: 2622200 0.204019 -43.819 178.66 -43.8188 204.664 -75.62 178.66 -75.6208 262.819 GPRESSURE: 2622200 31.8402 -37.9222 164.104 12.3928 248.759 -10.9425 269.441 -54.6088 261.214 PRESSAVG: 2622200 7.2357 -20.5374 45.7769 -20.5375 -11.7762 -41.694 45.7769 -41.694 16.7155 GPRESSAVG: 2622200 7.04079 -18.1926 43.5448 -19.4149 -12.053 -42.4111 48.2354 -41.0956 16.6997 TIMING: 2622200 CPU: 8188.8, 0.00311231/step Wall: 8188.8, 0.00311231/step, 2.05568 hours remaining, 234.253906 MB of memory in use. ENERGY: 2622200 4049.3737 20466.4056 14516.2552 264.1402 -202971.4888 2896.0043 0.0000 0.0000 51926.2413 -108853.0685 298.4208 -160779.3098 -108484.0833 299.8560 155.8955 180.6045 764318.1247 4.0583 3.8958 PRESSURE: 2622400 59.9475 -31.5277 -228.839 -31.5272 184.879 45.2418 -228.839 45.2418 297.492 GPRESSURE: 2622400 67.4175 -33.196 -235.221 -14.244 281.486 -14.648 -215.041 43.1428 279.392 PRESSAVG: 2622400 5.04699 26.6885 11.5817 26.6885 -16.1856 -12.5796 11.5817 -12.5795 -21.9835 GPRESSAVG: 2622400 4.11314 23.8471 12.9968 27.8821 -16.1328 -12.5636 11.0697 -14.0677 -21.4843 TIMING: 2622400 CPU: 8189.42, 0.0030853/step Wall: 8189.42, 0.0030853/step, 2.03767 hours remaining, 234.253906 MB of memory in use. ENERGY: 2622400 3969.4166 20490.7787 14489.3218 245.4985 -203611.5116 3035.6754 0.0000 0.0000 52471.0335 -108909.7870 301.5518 -161380.8206 -108542.5041 299.9796 180.7728 209.4320 763627.7395 -11.0407 -11.1680 PRESSURE: 2622600 22.9635 41.6492 -206.458 41.6482 71.8658 147.811 -206.458 147.812 -214.829 GPRESSURE: 2622600 40.9654 43.4722 -182.314 50.7375 124.805 117.852 -167.384 188.76 -204.875 PRESSAVG: 2622600 14.1412 41.5749 26.4731 41.5749 8.38368 44.5686 26.4731 44.5685 4.30035 GPRESSAVG: 2622600 14.1504 45.9205 28.0833 38.3674 8.42054 45.0319 25.4103 47.1481 4.16901 TIMING: 2622600 CPU: 8190.04, 0.00310613/step Wall: 8190.04, 0.00310613/step, 2.05125 hours remaining, 234.253906 MB of memory in use. ENERGY: 2622600 4050.1584 20568.2904 14535.0017 230.6190 -203140.2169 2782.1298 0.0000 0.0000 52007.8820 -108966.1357 298.8900 -160974.0177 -108593.2856 300.4914 -39.9998 -13.0351 765481.6624 8.9418 8.9133 PRESSURE: 2622800 179.398 214.919 -86.9244 214.919 104.322 153.07 -86.9239 153.069 352.971 GPRESSURE: 2622800 171.89 209.664 -109.124 161.842 181.923 158.968 -223.868 192.905 352.524 PRESSAVG: 2622800 27.6325 44.2694 17.2544 44.2694 -50.8872 36.588 17.2544 36.5879 -4.42761 GPRESSAVG: 2622800 28.4649 41.3532 16.6938 45.6186 -50.6578 35.7892 17.4329 36.6178 -4.96977 TIMING: 2622800 CPU: 8190.67, 0.00312399/step Wall: 8190.67, 0.00312399/step, 2.06288 hours remaining, 234.253906 MB of memory in use. ENERGY: 2622800 3972.0295 20404.6889 14441.5531 221.5264 -203779.8177 3091.5370 0.0000 0.0000 52347.5860 -109300.8968 300.8423 -161648.4828 -108931.6792 299.2773 212.2306 235.4454 761957.5689 -9.2274 -9.0542 PRESSURE: 2623000 -239.299 -226.594 -193.931 -226.593 -486.562 -187.831 -193.931 -187.83 -267.093 GPRESSURE: 2623000 -172.06 -175.75 -201.625 -150.59 -457.268 -81.4476 -155.898 -326.55 -277.34 PRESSAVG: 2623000 29.2481 21.137 -41.58 21.137 -31.6603 10.8703 -41.58 10.8702 -6.97199 GPRESSAVG: 2623000 29.1838 20.7694 -42.603 20.1812 -31.9524 12.489 -41.911 9.22266 -6.93555 TIMING: 2623000 CPU: 8191.29, 0.00311857/step Wall: 8191.29, 0.00311857/step, 2.05912 hours remaining, 234.253906 MB of memory in use. ENERGY: 2623000 3997.4735 20663.8630 14457.8256 256.4823 -203111.2864 2502.0874 0.0000 0.0000 52030.1353 -109203.4193 299.0179 -161233.5546 -108841.9724 299.5739 -330.9846 -302.2225 763597.9860 -3.1280 -3.2347 PRESSURE: 2623200 194.816 -138.488 -66.8338 -138.488 43.745 -39.968 -66.8343 -39.9682 -539.983 GPRESSURE: 2623200 222.093 -115.631 -102.572 -32.0732 18.7169 13.6601 -13.725 -124.726 -466.907 PRESSAVG: 2623200 68.1728 7.85009 5.70462 7.85013 -77.0616 -1.60028 5.70464 -1.60022 14.8163 GPRESSAVG: 2623200 67.7802 7.83511 5.91387 8.77576 -77.2896 -3.145 6.50535 -0.704005 15.4705 TIMING: 2623200 CPU: 8191.91, 0.00311053/step Wall: 8191.91, 0.00311053/step, 2.05364 hours remaining, 234.253906 MB of memory in use. ENERGY: 2623200 4043.1568 20672.8954 14463.3018 242.9080 -203816.7956 3048.8667 0.0000 0.0000 52115.7934 -109229.8737 299.5102 -161345.6670 -108864.6826 299.4493 -100.4740 -75.3657 763717.8927 1.9758 1.9871 PRESSURE: 2623400 128.305 103.027 33.456 103.026 -60.3558 265.861 33.4563 265.861 -224.172 GPRESSURE: 2623400 142.426 150.894 4.34944 28.5844 -15.0976 121.665 95.3761 362.549 -204.635 PRESSAVG: 2623400 -5.83337 25.2771 -6.97739 25.2772 9.58287 51.442 -6.97738 51.442 5.27697 GPRESSAVG: 2623400 -6.05479 25.527 -7.65625 24.3046 9.19341 50.6419 -7.42224 50.6647 5.47831 TIMING: 2623400 CPU: 8192.53, 0.00308737/step Wall: 8192.53, 0.00308737/step, 2.03818 hours remaining, 234.253906 MB of memory in use. ENERGY: 2623400 4082.8005 20543.1901 14425.3280 284.7638 -203328.8711 2761.7057 0.0000 0.0000 51857.6057 -109373.4772 298.0264 -161231.0829 -109004.1566 298.8556 -52.0743 -25.7686 762936.6487 3.0088 2.8723 PRESSURE: 2623600 -15.5 -50.4171 35.4706 -50.417 21.2344 -10.2043 35.4706 -10.2041 553.048 GPRESSURE: 2623600 152.224 -24.8329 -15.5447 -29.9742 19.0531 27.0417 26.649 -7.13102 466.064 PRESSAVG: 2623600 -1.70428 1.21798 -17.878 1.21795 -20.4063 8.11061 -17.878 8.11059 -15.9596 GPRESSAVG: 2623600 -0.0264732 2.75317 -16.7775 3.64195 -20.6197 10.3669 -17.5915 7.63656 -17.3448 TIMING: 2623600 CPU: 8193.15, 0.00311861/step Wall: 8193.15, 0.00311861/step, 2.05863 hours remaining, 234.253906 MB of memory in use. ENERGY: 2623600 4016.6679 20784.2062 14425.5518 254.9366 -203935.1894 3060.2623 0.0000 0.0000 51849.6381 -109543.9266 297.9806 -161393.5647 -109189.4041 298.7446 186.2607 212.4471 762518.9463 -12.6901 -12.6637 PRESSURE: 2623800 -317.601 -22.5995 -22.9931 -22.6 -239.052 122.586 -22.9943 122.584 -89.734 GPRESSURE: 2623800 -310.263 -55.8487 -1.22443 -78.1394 -178.065 158.133 -43.9997 -2.31092 -86.0486 PRESSAVG: 2623800 -18.3729 5.82883 40.494 5.82881 68.5476 16.6459 40.494 16.6459 -25.8993 GPRESSAVG: 2623800 -19.5668 4.08375 41.2869 5.55697 67.8817 15.7399 38.6398 17.0544 -24.3419 TIMING: 2623800 CPU: 8193.78, 0.00312132/step Wall: 8193.78, 0.00312132/step, 2.06025 hours remaining, 234.253906 MB of memory in use. ENERGY: 2623800 3956.3834 20632.7537 14487.9993 244.9534 -203591.5205 2726.4544 0.0000 0.0000 52132.7762 -109410.2001 299.6078 -161542.9762 -109043.6387 298.6252 -215.4621 -191.4589 763261.4693 8.0918 7.9910 PRESSURE: 2624000 -155.281 472.617 -29.2697 472.616 -212.749 -63.4495 -29.2688 -63.4509 77.5781 GPRESSURE: 2624000 -152.257 435.166 10.6743 328.423 -144.232 -9.15833 -40.718 -30.1156 87.8669 PRESSAVG: 2624000 -14.8026 65.1814 33.4457 65.1813 34.3401 49.4483 33.4457 49.4483 6.65631 GPRESSAVG: 2624000 -15.1842 65.7635 33.0022 61.3387 34.4348 50.842 33.2715 51.2051 6.82431 TIMING: 2624000 CPU: 8194.4, 0.00310028/step Wall: 8194.4, 0.00310028/step, 2.04618 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2624000 3983.1273 20526.9763 14507.7875 263.6355 -203541.4207 2795.2560 0.0000 0.0000 52372.4049 -109092.2332 300.9849 -161464.6381 -108724.3028 299.5074 -96.8172 -69.5407 762877.7055 8.7312 8.6916 PRESSURE: 2624200 -148.985 141.976 10.0431 141.976 -36.2067 -146.62 10.0433 -146.621 -179.305 GPRESSURE: 2624200 -86.5314 122.564 51.2259 81.5957 -20.6417 -131.342 59.9983 -123.395 -174.396 PRESSAVG: 2624200 -37.9062 28.453 22.7019 28.453 85.3762 15.1106 22.7019 15.1106 9.40364 GPRESSAVG: 2624200 -37.4026 28.3421 21.6015 31.811 85.7899 13.8581 26.1045 15.6643 8.84193 TIMING: 2624200 CPU: 8195.02, 0.00309478/step Wall: 8195.02, 0.00309478/step, 2.04239 hours remaining, 234.253906 MB of memory in use. ENERGY: 2624200 3953.2271 20652.9017 14496.5515 261.4320 -203560.4934 3003.1575 0.0000 0.0000 52134.6057 -109058.6180 299.6183 -161193.2236 -108690.7352 299.5163 -121.4988 -93.8565 761735.3807 18.9579 19.0764 LDB: ============= START OF LOAD BALANCING ============== 8207.49 LDB: ============== END OF LOAD BALANCING =============== 8207.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8207.49 LDB: ============= START OF LOAD BALANCING ============== 8207.8 LDB: Largest compute 7064 load 0.031468 is 16.1% of average load 0.195190 LDB: Average compute 0.004388 is 2.2% of average load 0.195190 LDB: TIME 8207.81 LOAD: AVG 0.19519 MAX 0.213115 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.676 MB LDB: TIME 8207.81 LOAD: AVG 0.19519 MAX 0.213115 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.676 MB LDB: TIME 8207.81 LOAD: AVG 0.19519 MAX 0.213115 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.676 MB LDB: ============== END OF LOAD BALANCING =============== 8207.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8207.81 PRESSURE: 2624400 -143.763 150.185 44.2913 150.185 38.5815 171.307 44.2906 171.306 64.1622 GPRESSURE: 2624400 -78.975 101.645 -32.3566 144.391 50.8209 126.871 -59.8888 38.0618 71.9218 PRESSAVG: 2624400 13.7319 27.4747 11.3394 27.4747 10.1796 21.1158 11.3394 21.1158 9.69549 GPRESSAVG: 2624400 14.0713 29.046 11.2484 24.3319 10.2066 20.9178 8.16296 18.1964 8.91071 TIMING: 2624400 CPU: 8195.65, 0.00315752/step Wall: 8195.65, 0.00315752/step, 2.08361 hours remaining, 235.726562 MB of memory in use. ENERGY: 2624400 4002.3398 20613.0692 14482.0461 257.5699 -203466.1709 2864.2368 0.0000 0.0000 52415.2135 -108831.6955 301.2310 -161246.9091 -108461.7320 300.0836 -13.6732 14.5892 763827.8388 11.2023 11.0629 PRESSURE: 2624600 -94.7811 -85.5419 24.7861 -85.5423 -0.421233 6.21125 24.7849 6.21122 164.627 GPRESSURE: 2624600 -20.5711 -153.152 -20.1502 -140.5 22.6678 80.7521 53.7363 -28.1086 150.835 PRESSAVG: 2624600 26.393 49.4531 16.3716 49.4531 -8.62273 42.8597 16.3716 42.8597 -11.8531 GPRESSAVG: 2624600 25.7433 45.9886 16.2284 51.07 -7.0933 43.3657 16.7641 45.1204 -12.7116 TIMING: 2624600 CPU: 8196.27, 0.00310019/step Wall: 8196.27, 0.00310019/step, 2.04561 hours remaining, 235.796875 MB of memory in use. ENERGY: 2624600 4040.0725 20567.0201 14472.3458 258.7753 -203259.9787 2741.9337 0.0000 0.0000 52269.6179 -108910.2133 300.3942 -161179.8313 -108527.9669 299.9559 23.1414 50.9773 763824.4733 1.9724 1.9795 PRESSURE: 2624800 -31.6227 -3.42395 93.6975 -3.42326 -563.998 96.3108 93.6967 96.3116 -522.482 GPRESSURE: 2624800 -81.5723 14.1592 65.8303 -75.561 -502.834 77.0335 61.0817 -33.7552 -426.838 PRESSAVG: 2624800 7.69313 5.15552 -0.343407 5.15554 26.1495 42.8097 -0.343388 42.8098 -38.6848 GPRESSAVG: 2624800 6.56555 8.19592 0.367281 5.34948 25.0967 42.7767 0.571234 40.4562 -36.1789 TIMING: 2624800 CPU: 8196.89, 0.00310222/step Wall: 8196.89, 0.00310222/step, 2.04677 hours remaining, 235.796875 MB of memory in use. ENERGY: 2624800 4111.8266 20702.3865 14498.1412 265.8153 -203048.6752 2581.4913 0.0000 0.0000 52411.7014 -108477.3130 301.2108 -160889.0144 -108112.1466 300.1179 -372.7010 -337.0816 764253.5119 -1.6141 -1.5055 PRESSURE: 2625000 473.876 158.815 1.71008 158.815 28.8492 62.3143 1.71078 62.3143 166.048 GPRESSURE: 2625000 434.968 167.852 100.656 128.117 156.31 78.9131 59.0617 67.5808 169.776 PRESSAVG: 2625000 18.7633 4.7253 -29.8304 4.72533 -23.1407 46.4821 -29.8304 46.4822 -1.19051 GPRESSAVG: 2625000 19.6803 2.39141 -29.5199 5.63794 -21.9761 45.9979 -29.4826 47.669 -2.23806 TIMING: 2625000 CPU: 8197.51, 0.00310362/step Wall: 8197.51, 0.00310362/step, 2.04753 hours remaining, 235.796875 MB of memory in use. ENERGY: 2625000 3987.8099 20707.1231 14493.1520 229.5352 -203122.9985 2920.9444 0.0000 0.0000 52330.6917 -108453.7422 300.7452 -160784.4339 -108077.0311 300.4712 222.9247 253.6846 762231.4027 -1.8560 -1.5113 PRESSURE: 2625200 -185.374 101.811 -133.529 101.811 -124.985 230.455 -133.529 230.455 -20.7045 GPRESSURE: 2625200 -127.816 59.2966 -64.3724 147.584 -60.6514 192.758 -220.244 183.564 -43.5348 PRESSAVG: 2625200 60.3498 17.8269 13.7189 17.8269 -31.1185 -2.4165 13.7188 -2.4166 -9.65961 GPRESSAVG: 2625200 60.953 16.9403 13.4381 18.6902 -32.1836 -3.00741 11.5725 -0.923878 -9.1236 TIMING: 2625200 CPU: 8198.13, 0.003099/step Wall: 8198.13, 0.003099/step, 2.04431 hours remaining, 235.796875 MB of memory in use. ENERGY: 2625200 4044.5737 20679.5028 14445.9529 250.2884 -202956.4718 2728.3667 0.0000 0.0000 52232.9298 -108574.8575 300.1834 -160807.7873 -108201.7226 300.4948 -110.3545 -77.3340 763301.1800 6.5239 6.5486 PRESSURE: 2625400 -370.739 40.5962 21.5584 40.5955 -85.7096 77.064 21.5587 77.0652 -391.164 GPRESSURE: 2625400 -351.509 43.1864 34.0689 21.7516 -90.1476 -63.236 -64.1593 165.946 -328.586 PRESSAVG: 2625400 42.4388 72.4913 9.96369 72.4912 -76.8615 10.8027 9.96368 10.8028 -17.548 GPRESSAVG: 2625400 42.8794 75.3112 8.93745 70.0966 -77.079 11.5846 10.3034 9.92925 -17.5049 TIMING: 2625400 CPU: 8198.75, 0.00311221/step Wall: 8198.75, 0.00311221/step, 2.05285 hours remaining, 235.796875 MB of memory in use. ENERGY: 2625400 4148.6764 20620.8082 14533.7765 243.3836 -203015.4726 2717.8056 0.0000 0.0000 52164.6700 -108586.3524 299.7911 -160751.0225 -108228.1722 300.6056 -282.5377 -256.7473 763706.9027 -17.3236 -17.2348 PRESSURE: 2625600 92.9198 -117.624 -67.6658 -117.623 18.306 60.0128 -67.6658 60.0136 -6.45133 GPRESSURE: 2625600 140.408 -99.0125 -29.8167 -100.612 38.0525 14.8922 23.2296 -24.9457 8.76142 PRESSAVG: 2625600 -2.15747 -12.076 31.3563 -12.076 18.343 -17.9618 31.3563 -17.9618 3.65365 GPRESSAVG: 2625600 -2.93299 -13.6731 31.6065 -11.5413 19.4984 -19.769 32.3321 -16.6873 2.49681 TIMING: 2625600 CPU: 8199.37, 0.00310058/step Wall: 8199.37, 0.00310058/step, 2.04501 hours remaining, 235.796875 MB of memory in use. ENERGY: 2625600 4057.3089 20693.1866 14548.0211 261.8770 -203063.6914 2733.2072 0.0000 0.0000 52352.3613 -108417.7293 300.8697 -160770.0906 -108052.4923 300.8560 34.9248 62.4071 762424.6886 6.6131 6.3541 PRESSURE: 2625800 -29.229 -23.7297 30.6114 -23.7289 -206.158 -87.8442 30.6106 -87.8437 123.516 GPRESSURE: 2625800 -1.08826 -42.4402 -28.2178 -109.304 -152.862 33.3666 63.4259 -119.49 159.948 PRESSAVG: 2625800 -1.9416 29.1089 22.548 29.1089 -15.6039 -18.7129 22.548 -18.7128 9.02491 GPRESSAVG: 2625800 -1.43589 29.2435 23.6364 30.6369 -16.7075 -16.6134 23.9665 -19.2177 8.98059 TIMING: 2625800 CPU: 8199.99, 0.00310739/step Wall: 8199.99, 0.00310739/step, 2.04933 hours remaining, 235.796875 MB of memory in use. ENERGY: 2625800 3968.8738 20572.7322 14459.5160 232.8513 -202734.2362 2621.0292 0.0000 0.0000 52406.0348 -108473.1990 301.1782 -160879.2337 -108109.1679 300.6880 -37.2902 1.9996 764394.1679 -2.8402 -3.0543 PRESSURE: 2626000 -347.253 -0.659493 159.587 -0.659625 -511.763 231.606 159.589 231.607 -1.82689 GPRESSURE: 2626000 -218.164 80.5295 218.066 -202.346 -513.756 223.898 144.808 313.75 -14.1863 PRESSAVG: 2626000 4.06352 27.7448 10.8951 27.7448 -10.9644 3.38168 10.8951 3.38168 3.10929 GPRESSAVG: 2626000 4.9378 29.3805 10.2723 24.47 -11.6913 3.24136 8.40053 1.36066 2.97821 TIMING: 2626000 CPU: 8200.62, 0.0031125/step Wall: 8200.62, 0.0031125/step, 2.05252 hours remaining, 235.796875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2626000 4040.1936 20432.0631 14419.3960 253.5935 -202295.3780 2273.2984 0.0000 0.0000 52304.9945 -108571.8389 300.5975 -160876.8334 -108189.3170 300.1191 -286.9474 -248.7021 763888.8462 -1.2639 -1.2584 PRESSURE: 2626200 13.2089 40.0044 110.162 40.0052 -213.18 -198.94 110.161 -198.939 80.2323 GPRESSURE: 2626200 129.326 19.6469 66.857 32.0699 -174.725 -211.804 158.938 -103.22 13.0557 PRESSAVG: 2626200 7.70402 -23.9174 94.4584 -23.9174 24.5104 29.8144 94.4584 29.8144 -8.55642 GPRESSAVG: 2626200 6.51459 -26.1948 94.644 -19.9288 24.9117 29.0731 96.0283 30.7183 -7.61256 TIMING: 2626200 CPU: 8201.24, 0.00313475/step Wall: 8201.24, 0.00313475/step, 2.06702 hours remaining, 235.796875 MB of memory in use. ENERGY: 2626200 4059.9134 20684.1395 14492.8266 245.2768 -203112.2232 2868.2372 0.0000 0.0000 52236.5412 -108525.2884 300.2041 -160761.8296 -108158.2013 300.0922 -39.9131 -10.7811 763309.4002 7.8860 7.9379 PRESSURE: 2626400 104.277 -187.463 78.2761 -187.462 -247.014 52.5128 78.2752 52.5132 285.599 GPRESSURE: 2626400 198.447 -209.2 140.757 -149.114 -194.723 11.9773 63.6512 45.7781 229.746 PRESSAVG: 2626400 -20.572 -6.2599 100.656 -6.25988 -32.1506 4.02168 100.656 4.02166 -8.69849 GPRESSAVG: 2626400 -20.4207 -4.91231 100.437 -8.39232 -31.5786 3.14479 100.128 4.26925 -9.2845 TIMING: 2626400 CPU: 8201.87, 0.00311401/step Wall: 8201.87, 0.00311401/step, 2.05317 hours remaining, 235.796875 MB of memory in use. ENERGY: 2626400 4009.1199 20691.9201 14493.8280 241.1700 -202916.6690 2899.2622 0.0000 0.0000 52172.4810 -108408.8878 299.8360 -160581.3688 -108040.5742 300.4947 47.6207 77.8236 763508.5878 -20.4737 -20.4279 PRESSURE: 2626600 -332.546 143.369 66.4888 143.37 -196.911 -26.3836 66.4886 -26.3837 230.508 GPRESSURE: 2626600 -292.075 -36.353 74.7463 148.898 -171.688 -35.7504 85.6136 -21.0628 222.652 PRESSAVG: 2626600 -11.0045 13.814 51.58 13.814 1.47479 46.4281 51.58 46.4281 9.44566 GPRESSAVG: 2626600 -10.8414 10.5454 53.3948 15.6808 0.655858 46.6295 51.9622 49.1249 9.19792 TIMING: 2626600 CPU: 8202.49, 0.00311318/step Wall: 8202.49, 0.00311318/step, 2.05245 hours remaining, 235.796875 MB of memory in use. ENERGY: 2626600 4024.5810 20630.3410 14473.2877 257.8630 -202563.9732 2545.7793 0.0000 0.0000 52231.8487 -108400.2724 300.1772 -160632.1211 -108039.2520 300.4300 -99.6495 -80.3703 762518.9083 -0.0280 -0.3292 PRESSURE: 2626800 86.974 195.612 94.8476 195.612 97.6316 -220.35 94.8472 -220.35 -676.369 GPRESSURE: 2626800 34.7233 237.779 53.9908 134.388 142.442 -178.664 65.9482 -160.156 -570.981 PRESSAVG: 2626800 -16.1069 1.52147 17.075 1.5214 -9.5655 55.5395 17.0751 55.5395 -2.14339 GPRESSAVG: 2626800 -16.1419 5.81455 15.1886 -1.16374 -9.05332 56.6403 16.8877 52.1208 -2.57189 TIMING: 2626800 CPU: 8203.12, 0.00313933/step Wall: 8203.12, 0.00313933/step, 2.06952 hours remaining, 235.796875 MB of memory in use. ENERGY: 2626800 3879.4336 20660.8163 14408.0232 266.5609 -202506.6952 2547.2086 0.0000 0.0000 52104.3670 -108640.2857 299.4445 -160744.6527 -108272.2270 300.3959 -163.9211 -131.2720 763868.2579 -9.2719 -9.2557 PRESSURE: 2627000 40.8865 -174.654 56.0299 -174.654 46.6838 124.354 56.0297 124.354 312.809 GPRESSURE: 2627000 57.8345 -134.161 26.6947 -134.943 167.097 92.7034 -39.1573 128.822 260.057 PRESSAVG: 2627000 14.4433 16.3841 20.7683 16.3841 -21.3748 27.3052 20.7683 27.3052 7.1176 GPRESSAVG: 2627000 14.1422 15.1912 20.0074 18.4012 -21.4878 26.9885 21.4641 28.957 7.33661 TIMING: 2627000 CPU: 8203.74, 0.00311711/step Wall: 8203.74, 0.00311711/step, 2.0547 hours remaining, 235.796875 MB of memory in use. ENERGY: 2627000 3892.8892 20559.5575 14486.6315 237.8539 -202815.6631 2838.4517 0.0000 0.0000 52402.7083 -108397.5710 301.1591 -160800.2793 -108031.1368 300.6021 133.4597 161.6628 764295.5353 0.0620 -0.0030 PRESSURE: 2627200 249.027 172.522 45.7002 172.523 -282.04 -178.033 45.7007 -178.033 -292.013 GPRESSURE: 2627200 240.448 33.7245 50.5141 232.227 -240.809 -104.098 87.7314 -122.21 -247.044 PRESSAVG: 2627200 -2.83622 -7.89798 11.959 -7.898 4.58674 45.9431 11.9591 45.9431 4.62651 GPRESSAVG: 2627200 -3.92362 -7.7081 13.2564 -8.03087 5.27587 46.4348 13.3723 47.2551 4.73908 TIMING: 2627200 CPU: 8204.36, 0.00311888/step Wall: 8204.36, 0.00311888/step, 2.05569 hours remaining, 235.796875 MB of memory in use. ENERGY: 2627200 3931.7240 20558.4422 14430.6287 268.2163 -202315.7380 2270.6493 0.0000 0.0000 52214.2089 -108641.8686 300.0758 -160856.0775 -108280.7333 300.4236 -108.3418 -82.4682 764898.0097 2.1257 2.0304 PRESSURE: 2627400 -314.453 -216.965 -82.2286 -216.965 -403.881 -40.8602 -82.228 -40.8604 -223.379 GPRESSURE: 2627400 -294.541 -177.819 25.7503 -266.584 -297.782 -49.2635 -77.498 -26.6341 -283.364 PRESSAVG: 2627400 32.6853 -21.1439 5.99234 -21.1438 -22.5442 -25.4964 5.99231 -25.4964 -9.38918 GPRESSAVG: 2627400 32.887 -21.9102 6.6298 -23.2117 -23.4389 -26.4652 4.17276 -26.3482 -8.99171 TIMING: 2627400 CPU: 8204.99, 0.00311469/step Wall: 8204.99, 0.00311469/step, 2.05276 hours remaining, 235.796875 MB of memory in use. ENERGY: 2627400 3990.9294 20471.6513 14490.3886 242.8342 -203009.3161 2574.7484 0.0000 0.0000 52198.9469 -109039.8173 299.9881 -161238.7643 -108667.4944 299.5866 -313.9041 -291.8958 764851.2182 0.2507 0.1521 PRESSURE: 2627600 111.234 22.7212 30.9405 22.7214 170.015 18.5945 30.9401 18.5938 107.843 GPRESSURE: 2627600 121.246 84.5187 -17.1019 64.2824 199.769 -17.237 76.074 -46.3072 140.875 PRESSAVG: 2627600 80.8045 -24.8016 -36.8132 -24.8016 -24.9426 10.9674 -36.8131 10.9675 -1.97815 GPRESSAVG: 2627600 80.9267 -24.0871 -36.7218 -23.9707 -25.2944 12.1255 -37.1906 9.38423 -1.79356 TIMING: 2627600 CPU: 8205.61, 0.00312765/step Wall: 8205.61, 0.00312765/step, 2.06112 hours remaining, 235.796875 MB of memory in use. ENERGY: 2627600 3897.1682 20497.0552 14582.3205 249.2196 -202801.7831 2726.1571 0.0000 0.0000 52069.8258 -108780.0366 299.2460 -160849.8625 -108421.9196 299.3708 129.6974 153.9635 763527.9440 17.9613 17.9462 PRESSURE: 2627800 -9.04182 -71.221 174.291 -71.2218 305.917 -7.05402 174.291 -7.05254 60.3964 GPRESSURE: 2627800 -1.7056 -107.263 175.015 5.11184 353.287 50.732 176.981 -11.1654 96.954 PRESSAVG: 2627800 -14.2292 -28.2244 28.5478 -28.2244 17.7369 -9.08915 28.5477 -9.08908 -11.3653 GPRESSAVG: 2627800 -13.9708 -27.0226 27.907 -28.9566 17.9236 -10.4872 31.5658 -8.1918 -12.107 TIMING: 2627800 CPU: 8206.24, 0.00311884/step Wall: 8206.24, 0.00311884/step, 2.05514 hours remaining, 235.796875 MB of memory in use. ENERGY: 2627800 4007.7971 20388.6126 14424.4819 263.7817 -202803.1280 2630.1024 0.0000 0.0000 52374.5563 -108713.7960 300.9973 -161088.3523 -108352.4037 300.0427 119.0904 149.5118 763244.7930 -2.6192 -2.7181 PRESSURE: 2628000 -141.163 -151.07 79.076 -151.07 -169.319 -98.7598 79.0762 -98.7593 97.7817 GPRESSURE: 2628000 -44.1825 -88.8691 46.7708 -111.117 -118.185 -46.5254 57.9365 -55.2214 35.5958 PRESSAVG: 2628000 20.1036 27.1534 1.00505 27.1534 -50.4031 8.87752 1.00508 8.87749 -23.2482 GPRESSAVG: 2628000 19.6674 25.5682 1.59038 28.7461 -50.3041 10.2683 -1.54701 9.34051 -22.9833 TIMING: 2628000 CPU: 8206.86, 0.00310054/step Wall: 8206.86, 0.00310054/step, 2.04291 hours remaining, 235.796875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2628000 4043.7672 20363.7981 14513.8570 247.9332 -202915.1933 2834.9411 0.0000 0.0000 52069.3743 -108841.5223 299.2434 -160910.8966 -108476.6477 299.8279 -70.9003 -42.2573 764136.3848 -17.8492 -17.8733 PRESSURE: 2628200 -11.9883 60.6526 -194.884 60.6531 116.706 -180.664 -194.885 -180.664 274.54 GPRESSURE: 2628200 124.863 133.22 -248.337 91.2965 111.033 -232.728 -165.608 -53.2662 250.167 PRESSAVG: 2628200 32.4428 -12.3549 -39.251 -12.3548 -47.595 -17.5327 -39.2509 -17.5328 35.2526 GPRESSAVG: 2628200 31.3198 -11.7382 -38.9893 -13.4168 -47.1767 -18.0146 -38.2072 -17.4798 35.6911 TIMING: 2628200 CPU: 8207.48, 0.00310877/step Wall: 8207.48, 0.00310877/step, 2.04816 hours remaining, 235.796875 MB of memory in use. ENERGY: 2628200 3949.9620 20493.0496 14451.4300 255.7295 -202712.8054 2654.5369 0.0000 0.0000 52044.5521 -108863.5453 299.1008 -160908.0974 -108502.3836 299.0960 126.4190 162.0210 762716.4272 6.7001 6.6114 LDB: ============= START OF LOAD BALANCING ============== 8219.96 LDB: ============== END OF LOAD BALANCING =============== 8219.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8219.96 LDB: ============= START OF LOAD BALANCING ============== 8220.27 LDB: Largest compute 7064 load 0.030107 is 15.4% of average load 0.195145 LDB: Average compute 0.004412 is 2.3% of average load 0.195145 LDB: TIME 8220.27 LOAD: AVG 0.195145 MAX 0.215917 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.406 MB LDB: TIME 8220.27 LOAD: AVG 0.195145 MAX 0.215917 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.41 MB LDB: TIME 8220.27 LOAD: AVG 0.195145 MAX 0.215917 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.41 MB LDB: ============== END OF LOAD BALANCING =============== 8220.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8220.28 PRESSURE: 2628400 -219.219 -104.126 -162.551 -104.127 -125.297 20.4195 -162.551 20.4203 -152.615 GPRESSURE: 2628400 -189.644 -30.7537 -153.121 -107.579 -86.827 25.4046 -160.811 -67.0532 -120.763 PRESSAVG: 2628400 -46.4934 0.0410391 28.8374 0.0410034 26.2612 36.9086 28.8374 36.9086 11.3666 GPRESSAVG: 2628400 -46.5796 1.14517 28.6615 1.25975 26.1558 36.1809 28.3443 37.0256 11.5667 TIMING: 2628400 CPU: 8208.11, 0.00318705/step Wall: 8208.11, 0.00318705/step, 2.09956 hours remaining, 234.121094 MB of memory in use. ENERGY: 2628400 4100.8814 20497.3224 14456.3260 244.5651 -203313.3440 2803.0822 0.0000 0.0000 52381.6404 -108829.5264 301.0380 -161211.1668 -108473.0254 300.1634 -165.7104 -132.4114 762781.0994 -2.9552 -2.9524 PRESSURE: 2628600 -65.852 19.7764 23.6561 19.776 -85.2898 21.2827 23.6562 21.2821 -264.039 GPRESSURE: 2628600 -18.3261 -10.4191 10.5585 65.3188 -75.8751 38.2556 6.20978 -20.3273 -237.108 PRESSAVG: 2628600 -6.39592 11.4908 -2.15184 11.4909 10.926 -2.72621 -2.15176 -2.7263 -1.41223 GPRESSAVG: 2628600 -4.92 8.95972 -1.69835 12.0434 9.813 -1.31998 -3.52095 -3.84866 -1.23837 TIMING: 2628600 CPU: 8208.74, 0.00311983/step Wall: 8208.74, 0.00311983/step, 2.0551 hours remaining, 234.121094 MB of memory in use. ENERGY: 2628600 4037.8927 20508.2512 14489.5596 259.2235 -203025.5769 2685.0169 0.0000 0.0000 51835.0256 -109210.6075 297.8966 -161045.6330 -108850.7643 299.1696 -138.3937 -110.4363 764442.7361 1.0393 1.2182 PRESSURE: 2628800 -150.309 6.52752 41.5883 6.52689 -309.924 -46.29 41.5889 -46.29 -156.559 GPRESSURE: 2628800 -103.986 -70.471 60.9869 -56.5783 -197.379 94.5903 -61.3048 -28.7392 -231.412 PRESSAVG: 2628800 -25.1441 14.3423 -25.1099 14.3422 -17.9656 33.0954 -25.1098 33.0954 22.3107 GPRESSAVG: 2628800 -24.6929 15.9853 -25.7951 12.1318 -17.718 33.5002 -26.5555 34.4615 21.4483 TIMING: 2628800 CPU: 8209.36, 0.00312415/step Wall: 8209.36, 0.00312415/step, 2.05778 hours remaining, 234.121094 MB of memory in use. ENERGY: 2628800 4072.2829 20525.9746 14465.8965 246.9001 -203155.8363 2595.6626 0.0000 0.0000 51879.7037 -109369.4159 298.1534 -161249.1196 -109006.9166 298.7593 -205.5974 -177.5922 763798.6032 -6.9330 -6.9875 PRESSURE: 2629000 -35.704 -286.165 -10.6143 -286.165 -318.83 56.6022 -10.6145 56.6018 -151.558 GPRESSURE: 2629000 18.8759 -237.838 77.8955 -216.7 -222.267 81.6506 31.7011 0.651494 -221.158 PRESSAVG: 2629000 3.61852 25.3151 9.38 25.3151 -2.94307 2.12692 9.37998 2.12682 9.23873 GPRESSAVG: 2629000 3.07801 24.4559 10.3358 25.5925 -2.48863 1.39714 9.2338 0.403457 9.51099 TIMING: 2629000 CPU: 8209.99, 0.00312721/step Wall: 8209.99, 0.00312721/step, 2.05962 hours remaining, 234.121094 MB of memory in use. ENERGY: 2629000 4017.8639 20480.3163 14420.4692 229.1422 -203074.3027 2552.9721 0.0000 0.0000 51966.8475 -109406.6915 298.6542 -161373.5390 -109048.8093 298.5407 -168.6975 -141.5164 761862.0739 3.3047 3.3668 PRESSURE: 2629200 185.461 -139.394 -124.822 -139.394 31.816 -41.0619 -124.821 -41.0618 166.33 GPRESSURE: 2629200 274.391 -50.4494 -65.99 -51.1677 25.8952 -60.5679 -38.2851 -84.8539 156.507 PRESSAVG: 2629200 25.8573 7.5633 -39.1718 7.56333 -16.0471 -3.37243 -39.1718 -3.37233 9.09491 GPRESSAVG: 2629200 26.017 9.24009 -39.0207 9.69594 -16.4686 -4.16925 -37.5873 -1.14389 9.60038 TIMING: 2629200 CPU: 8210.62, 0.0031346/step Wall: 8210.62, 0.0031346/step, 2.06431 hours remaining, 234.121094 MB of memory in use. ENERGY: 2629200 3900.8060 20494.8098 14415.7717 253.8189 -202843.6624 2370.8320 0.0000 0.0000 52117.7788 -109289.8452 299.5216 -161407.6240 -108938.6744 298.6191 127.8691 152.2645 761900.1694 6.3017 6.3829 PRESSURE: 2629400 4.31929 -71.2793 317.148 -71.28 -101.074 81.2681 317.148 81.2685 -60.0382 GPRESSURE: 2629400 110.721 -62.5283 304.077 -96.0615 -125.618 109.26 112.876 72.9882 -63.3278 PRESSAVG: 2629400 -19.0143 -5.45456 12.9762 -5.45451 27.6641 -0.459381 12.9763 -0.459339 14.4794 GPRESSAVG: 2629400 -18.8231 -5.67851 11.4113 -6.45507 28.166 0.954197 10.8611 -1.37401 13.5288 TIMING: 2629400 CPU: 8211.23, 0.00309397/step Wall: 8211.23, 0.00309397/step, 2.03738 hours remaining, 234.121094 MB of memory in use. ENERGY: 2629400 3947.1885 20556.6207 14417.7080 245.1132 -202828.3626 2625.1574 0.0000 0.0000 52122.5993 -108913.9755 299.5493 -161036.5748 -108544.7318 299.7273 -52.2644 -26.0750 762024.7288 7.7097 7.6239 PRESSURE: 2629600 55.2135 120.031 101.003 120.031 102.511 174.029 101.004 174.03 -327.514 GPRESSURE: 2629600 60.2351 34.1489 34.4844 125.875 169.078 65.018 124.064 117.786 -309.701 PRESSAVG: 2629600 24.383 46.3382 -18.9785 46.3382 -27.0406 -34.5819 -18.9785 -34.5819 -19.5544 GPRESSAVG: 2629600 22.7501 46.7468 -17.4707 47.2467 -26.8376 -35.1555 -18.1045 -35.7481 -18.2854 TIMING: 2629600 CPU: 8211.85, 0.003102/step Wall: 8211.85, 0.003102/step, 2.0425 hours remaining, 234.121094 MB of memory in use. ENERGY: 2629600 3934.8404 20525.5431 14461.5498 251.7773 -202740.2306 2558.8559 0.0000 0.0000 52163.5331 -108844.1308 299.7845 -161007.6639 -108474.0564 300.1223 -56.5965 -26.7961 762630.2683 -7.4040 -7.4576 PRESSURE: 2629800 -144.831 -218.391 106.011 -218.392 -277.454 -183.733 106.012 -183.732 -231.304 GPRESSURE: 2629800 -108.163 -193.813 11.9013 -180.639 -196.128 -204.3 171.005 -116.611 -238.595 PRESSAVG: 2629800 18.9607 30.2321 18.5449 30.2321 -16.0387 -10.6974 18.5449 -10.6974 2.47809 GPRESSAVG: 2629800 20.7036 30.3533 16.2962 27.4987 -16.1222 -12.0008 21.5684 -7.56218 1.10252 TIMING: 2629800 CPU: 8212.47, 0.00309537/step Wall: 8212.47, 0.00309538/step, 2.03796 hours remaining, 234.121094 MB of memory in use. ENERGY: 2629800 3977.8711 20600.2899 14498.6499 238.6031 -203283.4045 2806.3973 0.0000 0.0000 52094.0365 -109067.5567 299.3851 -161161.5931 -108698.0724 299.3513 -217.8630 -180.9621 762782.4294 1.8000 1.8946 PRESSURE: 2630000 110.92 -91.8784 -27.4298 -91.8786 19.204 191.417 -27.4295 191.417 194.516 GPRESSURE: 2630000 166.072 -173.428 35.9086 -173.869 113.566 254.724 174.312 210.366 135.252 PRESSAVG: 2630000 -60.8319 3.00243 -9.19291 3.00236 49.7923 24.5769 -9.19292 24.5769 7.57122 GPRESSAVG: 2630000 -62.8772 2.49375 -7.8543 3.46286 51.4077 25.8999 -10.3723 22.0703 8.23594 TIMING: 2630000 CPU: 8213.1, 0.00311071/step Wall: 8213.1, 0.00311071/step, 2.04788 hours remaining, 234.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2630000 3995.1617 20495.6759 14414.4100 260.3022 -203369.8754 2927.9421 0.0000 0.0000 52105.2946 -109171.0888 299.4498 -161276.3834 -108798.1648 299.0621 108.2132 138.2965 760685.0366 -1.1561 -1.0778 PRESSURE: 2630200 36.197 126.823 -160.696 126.823 -169.307 -63.9173 -160.696 -63.9177 -170.144 GPRESSURE: 2630200 30.1679 14.0976 -200.206 99.5145 -109.646 -100 -218.345 84.4583 -151.151 PRESSAVG: 2630200 -6.98075 6.69473 60.1999 6.69474 53.0655 18.6897 60.1999 18.6898 5.47334 GPRESSAVG: 2630200 -6.69942 4.60649 58.4228 7.71432 52.0437 20.0571 59.5339 18.3732 6.20649 TIMING: 2630200 CPU: 8213.72, 0.0031219/step Wall: 8213.72, 0.0031219/step, 2.05508 hours remaining, 234.121094 MB of memory in use. ENERGY: 2630200 3994.1359 20472.7273 14431.2376 254.4641 -203106.9849 2703.4876 0.0000 0.0000 51953.6994 -109297.2331 298.5786 -161250.9325 -108948.0325 298.8562 -101.0849 -76.8764 763373.5370 17.1860 17.1836 PRESSURE: 2630400 -90.072 -136.279 183.697 -136.279 20.3215 56.2348 183.697 56.235 -34.758 GPRESSURE: 2630400 -26.7312 -153.217 143.36 -151.043 59.119 31.4062 13.2584 77.1803 -40.8877 PRESSAVG: 2630400 -39.704 -10.932 12.9021 -10.932 2.56297 13.9189 12.902 13.9189 18.2037 GPRESSAVG: 2630400 -38.4342 -9.05716 14.4126 -10.4622 0.541482 11.7503 12.7152 13.9372 18.5246 TIMING: 2630400 CPU: 8214.34, 0.00311065/step Wall: 8214.34, 0.00311065/step, 2.0475 hours remaining, 234.121094 MB of memory in use. ENERGY: 2630400 3943.0179 20639.8062 14392.0553 239.7211 -203319.5784 3036.7852 0.0000 0.0000 51652.7804 -109415.4122 296.8492 -161068.1926 -109053.7886 298.4713 -34.8362 -2.8333 764510.4422 -6.3125 -6.4561 PRESSURE: 2630600 -96.9164 -34.5888 -213.54 -34.5897 -220.843 -139.413 -213.541 -139.413 103.441 GPRESSURE: 2630600 -95.1586 -39.4969 -172.019 -58.9193 -95.7851 -181.873 -147.271 -154.953 82.7451 PRESSAVG: 2630600 17.8622 7.36875 38.2076 7.36873 -5.07801 -54.1929 38.2076 -54.1929 17.1143 GPRESSAVG: 2630600 17.5322 6.23615 36.9373 8.51104 -2.92843 -52.5126 39.6341 -54.9568 15.6656 TIMING: 2630600 CPU: 8214.97, 0.00311884/step Wall: 8214.97, 0.00311884/step, 2.05272 hours remaining, 234.121094 MB of memory in use. ENERGY: 2630600 3995.0167 20477.8302 14418.9023 267.6259 -203475.8546 2893.5504 0.0000 0.0000 51923.7322 -109499.1968 298.4064 -161422.9290 -109141.8242 298.1641 -71.4396 -36.0662 761853.7314 9.9662 10.0898 PRESSURE: 2630800 -211.593 -195.543 -113.957 -195.544 -87.2418 182.755 -113.957 182.756 -28.8821 GPRESSURE: 2630800 -35.4997 -129.159 -112.136 -215.314 -190.854 119.905 -43.3764 218.813 -23.2148 PRESSAVG: 2630800 73.3123 -21.3859 1.82668 -21.3859 -33.2748 -18.3659 1.82667 -18.3659 -22.7672 GPRESSAVG: 2630800 73.7557 -20.9228 4.17026 -22.7396 -34.9564 -19.6593 2.30309 -16.9347 -21.9365 TIMING: 2630800 CPU: 8215.6, 0.0031541/step Wall: 8215.6, 0.0031541/step, 2.07575 hours remaining, 234.121094 MB of memory in use. ENERGY: 2630800 3974.9897 20461.8135 14404.3139 248.9341 -203281.3621 2750.1726 0.0000 0.0000 51957.9341 -109483.2041 298.6030 -161441.1382 -109119.8815 298.3180 -109.2390 -83.1896 763601.9283 5.7567 5.6209 PRESSURE: 2631000 113.483 73.6051 -9.75105 73.6059 -140.955 -115.905 -9.75156 -115.905 -185.765 GPRESSURE: 2631000 120.344 80.4276 -109.956 3.98092 -106.257 -146.89 -2.5507 -157.019 -146.686 PRESSAVG: 2631000 23.3451 -36.1415 -34.2579 -36.1415 14.4955 -23.3564 -34.2579 -23.3565 30.2271 GPRESSAVG: 2631000 22.1272 -35.1031 -35.5135 -37.7353 16.3021 -24.8824 -35.4626 -22.7166 29.4921 TIMING: 2631000 CPU: 8216.22, 0.00313818/step Wall: 8216.22, 0.00313818/step, 2.0651 hours remaining, 234.121094 MB of memory in use. ENERGY: 2631000 3913.3924 20375.1434 14458.0476 249.4176 -203413.5314 2981.8911 0.0000 0.0000 51814.5652 -109621.0742 297.7790 -161435.6394 -109262.0099 297.6695 -71.0787 -44.1995 763655.8435 22.6892 22.6405 PRESSURE: 2631200 -269.673 -58.0033 148.664 -58.0027 -458.736 -50.235 148.664 -50.2345 -391.675 GPRESSURE: 2631200 -317.072 76.9161 78.2598 -93.3741 -369.874 -4.40392 197.474 -23.6136 -359.708 PRESSAVG: 2631200 -19.5997 3.62956 51.7411 3.62957 8.45954 14.6805 51.7411 14.6805 12.8237 GPRESSAVG: 2631200 -19.6883 2.54186 53.0346 5.88124 7.66565 16.0314 51.4012 13.9477 13.2588 TIMING: 2631200 CPU: 8216.85, 0.0031164/step Wall: 8216.85, 0.0031164/step, 2.05059 hours remaining, 234.121094 MB of memory in use. ENERGY: 2631200 3975.0346 20624.7411 14417.0603 250.8380 -202612.4102 2378.6559 0.0000 0.0000 51471.3707 -109494.7097 295.8067 -160966.0804 -109138.5079 297.7785 -373.3615 -348.8845 764860.3699 0.5612 0.4120 PRESSURE: 2631400 404.562 117.115 94.9156 117.115 254.426 54.5904 94.916 54.5914 315.623 GPRESSURE: 2631400 406.451 52.9453 76.9982 33.7343 281.863 15.2301 43.4199 214.97 372.728 PRESSAVG: 2631400 -51.4574 -25.4455 34.1267 -25.4455 61.9229 13.613 34.1267 13.6132 11.8557 GPRESSAVG: 2631400 -51.156 -26.2917 31.7541 -25.5716 61.5315 13.0793 34.4063 14.7161 12.6389 TIMING: 2631400 CPU: 8217.48, 0.00316022/step Wall: 8217.48, 0.00316022/step, 2.07925 hours remaining, 234.121094 MB of memory in use. ENERGY: 2631400 3998.1146 20507.5250 14546.4373 249.8907 -203613.9907 3120.1776 0.0000 0.0000 51847.3305 -109344.5150 297.9673 -161191.8455 -108994.3878 298.2587 324.8704 353.6810 761175.7978 7.4404 7.6715 PRESSURE: 2631600 -81.9223 -77.9614 -86.8678 -77.9608 195.449 -256.367 -86.8676 -256.367 239.238 GPRESSURE: 2631600 -102.368 -53.4307 -134.423 -63.7511 200.857 -151.141 132.419 -267.097 313.734 PRESSAVG: 2631600 2.76418 -18.4365 -46.8255 -18.4365 24.6333 -5.84901 -46.8255 -5.84909 -3.22827 GPRESSAVG: 2631600 2.96947 -16.1748 -45.6086 -19.8887 24.973 -4.3728 -46.5452 -9.10772 -4.34564 TIMING: 2631600 CPU: 8218.11, 0.00315044/step Wall: 8218.11, 0.00315044/step, 2.07264 hours remaining, 234.121094 MB of memory in use. ENERGY: 2631600 3928.0798 20598.1665 14360.5108 255.4279 -203297.0687 3069.3823 0.0000 0.0000 51817.8046 -109267.6968 297.7976 -161085.5014 -108893.4432 297.9155 117.5881 137.4078 762606.0494 8.0564 7.8656 PRESSURE: 2631800 -326.375 161.608 383.62 161.607 237.477 19.3949 383.62 19.3953 452.613 GPRESSURE: 2631800 -186.87 111 416.571 132.678 165.733 8.42563 524.458 147.543 462.632 PRESSAVG: 2631800 -31.7238 -25.8875 20.304 -25.8875 19.6911 27.9462 20.304 27.9463 -9.08795 GPRESSAVG: 2631800 -30.4853 -27.5432 21.5365 -25.2356 19.4333 27.2265 19.3535 28.3582 -10.1162 TIMING: 2631800 CPU: 8218.73, 0.00311881/step Wall: 8218.73, 0.00311881/step, 2.05166 hours remaining, 234.121094 MB of memory in use. ENERGY: 2631800 4019.8528 20371.9852 14456.7099 245.5680 -203110.6227 2987.2677 0.0000 0.0000 51884.7643 -109144.4749 298.1825 -161029.2392 -108784.8446 298.4627 121.2383 147.1651 764592.7735 -7.0402 -7.0560 PRESSURE: 2632000 209.371 -46.2741 107.348 -46.2746 32.3335 13.006 107.347 13.0074 -202.187 GPRESSURE: 2632000 237.812 -190.709 21.9859 -188.945 12.1528 35.9891 167.3 44.7103 -111.725 PRESSAVG: 2632000 29.6064 50.2851 5.79483 50.2851 3.07516 12.646 5.7948 12.6461 -12.484 GPRESSAVG: 2632000 29.271 50.437 4.10546 50.9632 2.2707 13.5169 6.36118 13.5744 -11.3067 TIMING: 2632000 CPU: 8219.36, 0.00311655/step Wall: 8219.36, 0.00311655/step, 2.05 hours remaining, 234.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2632000 3958.4544 20411.7595 14406.0700 228.8174 -202866.9654 2859.2291 0.0000 0.0000 51930.1572 -109072.4779 298.4433 -161002.6350 -108711.5696 298.0720 13.1725 46.0800 762046.7842 6.7325 6.7450 PRESSURE: 2632200 -158.306 -19.5511 -275.623 -19.5525 260.215 32.6915 -275.622 32.6906 -67.0393 GPRESSURE: 2632200 -196.422 17.4404 -291.09 15.5834 349.288 33.0648 -294.525 3.83949 -39.1419 PRESSAVG: 2632200 20.2974 2.93633 32.0057 2.93637 -53.0828 15.6953 32.0057 15.6953 6.59499 GPRESSAVG: 2632200 20.299 3.43949 32.0069 1.29784 -53.0209 14.7725 31.6158 14.1509 5.87226 TIMING: 2632200 CPU: 8219.98, 0.00311365/step Wall: 8219.98, 0.00311365/step, 2.04792 hours remaining, 234.121094 MB of memory in use. ENERGY: 2632200 3979.2862 20489.0127 14462.1666 243.9464 -203015.4163 2732.1133 0.0000 0.0000 51994.2277 -109114.6633 298.8115 -161108.8911 -108743.1448 298.5988 11.6232 37.9082 762805.2142 -8.7301 -8.9499 LDB: ============= START OF LOAD BALANCING ============== 8232.46 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8232.46 LDB: =============== DONE WITH MIGRATION ================ 8232.46 LDB: ============= START OF LOAD BALANCING ============== 8232.77 LDB: Largest compute 7064 load 0.032135 is 16.5% of average load 0.195003 LDB: Average compute 0.004416 is 2.3% of average load 0.195003 LDB: TIME 8232.77 LOAD: AVG 0.195003 MAX 0.214419 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.172 MB LDB: TIME 8232.77 LOAD: AVG 0.195003 MAX 0.214419 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.172 MB LDB: TIME 8232.77 LOAD: AVG 0.195003 MAX 0.214419 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.172 MB LDB: ============== END OF LOAD BALANCING =============== 8232.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8232.78 PRESSURE: 2632400 -56.3633 -80.6572 17.9745 -80.6564 -64.3624 -101.931 17.9737 -101.932 -44.3921 GPRESSURE: 2632400 -63.9506 -13.3009 -23.8708 75.8376 42.5269 -120.352 107.475 -48.3575 -42.1505 PRESSAVG: 2632400 15.0118 -28.7451 30.4643 -28.7451 19.6998 10.7687 30.4643 10.7686 -4.76335 GPRESSAVG: 2632400 13.8189 -27.64 29.7957 -25.6535 20.3219 10.4617 31.244 12.7165 -4.40292 TIMING: 2632400 CPU: 8220.61, 0.00317028/step Wall: 8220.61, 0.00317028/step, 2.08499 hours remaining, 233.472656 MB of memory in use. ENERGY: 2632400 4011.9031 20521.4934 14413.8446 231.0546 -203332.4258 2801.3990 0.0000 0.0000 52353.6555 -108999.0757 300.8772 -161352.7312 -108631.0931 299.2861 -55.0393 -21.1914 764257.4979 9.9827 9.9126 PRESSURE: 2632600 186.234 90.4509 -97.1356 90.4498 -71.9011 -19.39 -97.1348 -19.3903 -396.071 GPRESSURE: 2632600 330.026 -19.2885 -88.8448 -25.0196 -96.5301 -23.6824 -86.4899 -61.5164 -430.8 PRESSAVG: 2632600 -2.2654 -19.9479 -22.2508 -19.948 15.8999 11.2966 -22.2508 11.2967 -4.34564 GPRESSAVG: 2632600 -1.51381 -20.2821 -22.7308 -23.0122 14.969 10.8784 -22.7164 12.2597 -3.81934 TIMING: 2632600 CPU: 8221.24, 0.00311463/step Wall: 8221.24, 0.00311463/step, 2.04822 hours remaining, 233.675781 MB of memory in use. ENERGY: 2632600 4008.3623 20402.4860 14518.1842 240.9513 -203294.8186 2860.3304 0.0000 0.0000 52270.3685 -108994.1359 300.3985 -161264.5044 -108633.8275 299.6967 -93.9128 -65.7680 762774.0128 3.0963 3.2120 PRESSURE: 2632800 -85.508 -61.8102 160.752 -61.8099 -168.723 85.1724 160.752 85.1722 253.359 GPRESSURE: 2632800 -25.5454 -94.7256 102.884 -105.431 -165.88 -52.5957 200.159 94.8036 257.379 PRESSAVG: 2632800 -1.56889 -14.3702 32.2355 -14.3702 2.40829 57.9781 32.2355 57.9781 -13.3732 GPRESSAVG: 2632800 -1.42008 -13.9064 34.5034 -12.9859 1.91154 58.3952 32.0699 54.1277 -13.0122 TIMING: 2632800 CPU: 8221.87, 0.00316562/step Wall: 8221.87, 0.00316562/step, 2.08157 hours remaining, 233.675781 MB of memory in use. ENERGY: 2632800 3930.2450 20426.6713 14490.6323 255.6734 -203271.6256 2733.3442 0.0000 0.0000 52121.9658 -109313.0936 299.5457 -161435.0594 -108951.5989 298.8085 -0.2907 21.9845 764448.9670 -4.1779 -4.1736 PRESSURE: 2633000 -338.502 3.60867 256.693 3.60844 188.329 -53.2558 256.692 -53.2555 245.601 GPRESSURE: 2633000 -243.85 45.2386 206.15 7.21217 137.154 -14.8781 222.04 -30.6407 276.713 PRESSAVG: 2633000 16.1089 23.0293 7.54091 23.0293 -27.3995 -18.2378 7.54095 -18.2378 17.8157 GPRESSAVG: 2633000 16.119 23.0795 6.38924 23.3111 -26.926 -17.7114 8.04562 -16.1519 17.5679 TIMING: 2633000 CPU: 8222.49, 0.00311546/step Wall: 8222.49, 0.00311546/step, 2.04841 hours remaining, 233.675781 MB of memory in use. ENERGY: 2633000 4004.9118 20490.3048 14450.1978 250.6139 -203300.9017 2777.9489 0.0000 0.0000 51905.7620 -109421.1626 298.3031 -161326.9246 -109063.9266 298.2379 31.8090 56.6723 764432.5239 2.1750 2.2536 PRESSURE: 2633200 -222.069 -225.923 -211.637 -225.922 -47.8003 69.8517 -211.638 69.8521 444.958 GPRESSURE: 2633200 -106.721 -161.721 -183.093 -359.218 -50.4262 131.68 -109.883 -4.79527 415.956 PRESSAVG: 2633200 2.58135 -0.88218 55.5367 -0.88215 -7.85185 42.1344 55.5367 42.1344 -7.39326 GPRESSAVG: 2633200 2.91484 -2.63296 55.5932 -2.01828 -7.18328 40.9078 55.202 41.8408 -7.96163 TIMING: 2633200 CPU: 8223.12, 0.00311966/step Wall: 8223.12, 0.00311966/step, 2.05101 hours remaining, 233.675781 MB of memory in use. ENERGY: 2633200 4012.7594 20347.4965 14513.1407 253.5293 -203293.1323 2766.5574 0.0000 0.0000 52096.3385 -109303.3105 299.3984 -161399.6489 -108940.3744 298.4236 58.3629 86.2698 761812.5037 -4.2213 -4.0767 PRESSURE: 2633400 258.674 108.791 37.692 108.79 -44.4105 -208.816 37.692 -208.816 -226.293 GPRESSURE: 2633400 204.374 109.122 53.0495 23.2369 18.8149 -158.168 2.49296 -222.435 -135.796 PRESSAVG: 2633400 -9.71567 -1.23257 53.1674 -1.23254 10.9402 -28.8225 53.1673 -28.8225 -0.826521 GPRESSAVG: 2633400 -10.7238 -1.46036 54.0895 -0.284369 10.8973 -27.9905 52.6883 -30.2427 -0.00973158 TIMING: 2633400 CPU: 8223.74, 0.00309155/step Wall: 8223.74, 0.00309155/step, 2.03235 hours remaining, 233.675781 MB of memory in use. ENERGY: 2633400 3935.0010 20279.1047 14470.3427 237.2142 -202949.4430 2797.2804 0.0000 0.0000 51890.5487 -109339.9512 298.2157 -161230.4999 -108980.4412 298.9378 -4.0097 29.1307 763501.9374 0.1327 0.0546 PRESSURE: 2633600 -253.452 105.025 -40.3499 105.026 2.20664 117.134 -40.3499 117.134 95.4361 GPRESSURE: 2633600 -138.851 138.081 -85.8985 68.5743 22.3963 106.574 54.4019 -9.91603 45.9658 PRESSAVG: 2633600 -77.3695 1.57574 8.08118 1.57575 29.5454 24.783 8.08119 24.7829 -1.92758 GPRESSAVG: 2633600 -76.1763 2.6088 6.83649 1.57897 29.4135 24.7453 8.63617 25.6549 -3.04247 TIMING: 2633600 CPU: 8224.35, 0.00308615/step Wall: 8224.35, 0.00308615/step, 2.02863 hours remaining, 233.675781 MB of memory in use. ENERGY: 2633600 3941.8343 20494.3378 14512.7844 254.7063 -203526.7945 3055.1143 0.0000 0.0000 52198.3875 -109069.6298 299.9849 -161268.0174 -108713.3988 298.8319 -51.9364 -23.4963 764606.9612 -16.5839 -16.6018 PRESSURE: 2633800 -132.568 25.729 166.116 25.729 -147.859 -153.502 166.116 -153.502 -8.03004 GPRESSURE: 2633800 -127.124 -14.9053 139.338 -26.0487 -83.2879 -123.191 192.692 -136.497 13.3183 PRESSAVG: 2633800 25.5317 23.1806 30.1424 23.1806 -17.5589 13.8816 30.1424 13.8816 -18.8576 GPRESSAVG: 2633800 25.5051 22.6147 31.3202 23.2237 -17.5033 14.3588 29.9464 13.3338 -18.6957 TIMING: 2633800 CPU: 8224.97, 0.00309281/step Wall: 8224.97, 0.00309281/step, 2.03284 hours remaining, 233.675781 MB of memory in use. ENERGY: 2633800 4009.7578 20582.9913 14501.5476 254.4925 -203187.6927 2810.5141 0.0000 0.0000 51943.3319 -109085.0575 298.5190 -161028.3893 -108731.9275 299.3475 -96.1524 -65.6980 763492.9607 -3.6283 -3.5647 PRESSURE: 2634000 -188.732 87.0371 217.493 87.0373 -52.6995 61.2593 217.492 61.2601 140.699 GPRESSURE: 2634000 -120.419 -49.433 106.841 3.16079 23.1454 98.1403 152.419 -111.516 85.3003 PRESSAVG: 2634000 -17.234 4.50372 -37.7917 4.50362 15.4568 -18.6168 -37.7917 -18.6168 -1.4036 GPRESSAVG: 2634000 -17.9904 5.03815 -37.1689 2.43687 16.451 -21.0045 -38.0578 -17.1918 -1.43356 TIMING: 2634000 CPU: 8225.59, 0.00311528/step Wall: 8225.59, 0.00311528/step, 2.04743 hours remaining, 233.675781 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: 2634000 3971.1676 20472.6194 14404.0903 239.9716 -202571.3904 2456.5751 0.0000 0.0000 52255.8275 -108771.1387 300.3150 -161026.9663 -108415.4617 299.4201 -33.5772 -3.9912 764033.6271 -1.0603 -0.9910 PRESSURE: 2634200 -33.4988 44.2251 109.251 44.2254 -117.388 30.1802 109.251 30.1803 41.0528 GPRESSURE: 2634200 30.8507 69.9296 80.7571 -57.2305 -70.0943 46.323 117.861 -89.9695 9.05501 PRESSAVG: 2634200 -0.534668 -36.7672 32.0473 -36.7672 -46.3972 0.779232 32.0473 0.779248 8.81138 GPRESSAVG: 2634200 1.43321 -35.5268 32.4528 -35.4281 -48.806 1.04315 31.9043 0.889736 8.80451 TIMING: 2634200 CPU: 8226.21, 0.00309773/step Wall: 8226.21, 0.00309773/step, 2.03572 hours remaining, 233.675781 MB of memory in use. ENERGY: 2634200 4000.7769 20432.7250 14347.4275 239.3394 -202800.7335 2747.4176 0.0000 0.0000 52231.5598 -108801.4873 300.1755 -161033.0471 -108434.4756 299.6174 -36.6112 -10.0629 763897.7294 -12.7068 -12.8561 PRESSURE: 2634400 48.7991 -112.544 65.1558 -112.544 474.811 114.179 65.1559 114.179 299.08 GPRESSURE: 2634400 16.1418 -89.8014 71.6396 -99.4457 513.158 242.773 58.4118 93.7791 363.352 PRESSAVG: 2634400 -21.5251 2.27402 -12.7547 2.27406 23.3096 39.8614 -12.7548 39.8615 20.6469 GPRESSAVG: 2634400 -24.592 1.94135 -15.0781 3.79015 25.7132 40.3143 -9.03192 38.8985 21.4846 TIMING: 2634400 CPU: 8226.83, 0.00310143/step Wall: 8226.83, 0.00310143/step, 2.03798 hours remaining, 233.675781 MB of memory in use. ENERGY: 2634400 4016.9550 20431.4640 14481.6813 225.9812 -203465.0474 3111.1343 0.0000 0.0000 52216.8166 -108981.0150 300.0908 -161197.8316 -108612.6775 300.2013 274.2300 297.5505 762053.1818 7.4771 7.5353 PRESSURE: 2634600 56.213 -132.59 -30.0995 -132.59 80.5854 -107.374 -30.1 -107.374 -61.1449 GPRESSURE: 2634600 23.5749 -153.822 -13.3238 37.9781 137.082 -73.2179 -35.3757 -187.472 -14.4115 PRESSAVG: 2634600 25.8474 40.1431 -6.68605 40.1431 -9.73173 -23.8863 -6.6861 -23.8864 -14.9437 GPRESSAVG: 2634600 26.5702 39.0801 -5.53791 40.4101 -9.74087 -25.0631 -10.0695 -22.2134 -15.6922 TIMING: 2634600 CPU: 8227.45, 0.00310171/step Wall: 8227.45, 0.00310171/step, 2.038 hours remaining, 233.675781 MB of memory in use. ENERGY: 2634600 4060.2449 20624.7832 14459.9718 240.6742 -203252.9896 2886.3566 0.0000 0.0000 52193.8107 -108787.1481 299.9585 -160980.9588 -108429.5146 300.0601 25.2179 48.7483 763985.7859 0.3907 0.3790 PRESSURE: 2634800 -94.8184 -91.4563 294.113 -91.456 45.592 19.2768 294.114 19.2757 -303.348 GPRESSURE: 2634800 -78.4714 -75.8035 308.842 -80.2334 69.4279 119.195 147.29 75.1631 -271.73 PRESSAVG: 2634800 -40.0503 22.3323 -0.323368 22.3323 27.7696 20.3037 -0.323385 20.3037 23.1026 GPRESSAVG: 2634800 -40.0718 23.3808 -0.974313 20.0576 26.0693 23.4396 1.71241 18.5501 23.8366 TIMING: 2634800 CPU: 8228.07, 0.00309746/step Wall: 8228.07, 0.00309746/step, 2.03503 hours remaining, 233.675781 MB of memory in use. ENERGY: 2634800 4051.7903 20395.8331 14593.8620 232.9850 -203027.3771 2658.8184 0.0000 0.0000 52340.9081 -108753.1802 300.8039 -161094.0882 -108385.1403 300.1554 -117.5250 -93.5912 762894.0009 3.6073 3.2780 PRESSURE: 2635000 -19.3521 -46.4351 -104.536 -46.4348 171.723 -80.357 -104.536 -80.3565 -189.731 GPRESSURE: 2635000 2.292 -13.4665 -183.452 39.19 197.504 -50.3666 -121.531 1.07219 -141.722 PRESSAVG: 2635000 -3.82603 38.7759 11.7 38.7759 -13.1035 2.66309 11.7 2.66312 9.28014 GPRESSAVG: 2635000 -2.91991 37.4198 11.7318 39.9718 -12.6398 1.79397 9.55305 1.90507 7.65937 TIMING: 2635000 CPU: 8228.7, 0.00311194/step Wall: 8228.7, 0.00311194/step, 2.04437 hours remaining, 233.675781 MB of memory in use. ENERGY: 2635000 3994.6966 20431.7688 14521.3137 231.1322 -202640.8144 2465.7214 0.0000 0.0000 52263.7163 -108732.4653 300.3603 -160996.1816 -108372.3296 300.0887 -12.4532 19.3579 763775.1082 -2.5498 -2.6334 PRESSURE: 2635200 -148.498 -39.8754 27.204 -39.8747 -38.7282 232.388 27.204 232.388 607.415 GPRESSURE: 2635200 -87.2893 -125.953 28.7348 135.739 -27.2919 214.287 156.896 199.861 609.67 PRESSAVG: 2635200 -8.47797 0.679397 29.7656 0.679455 -10.0313 -59.6874 29.7657 -59.6875 -8.93476 GPRESSAVG: 2635200 -9.69866 -0.546451 29.4335 3.98392 -9.64544 -60.2667 30.8124 -58.3244 -7.81397 TIMING: 2635200 CPU: 8229.32, 0.00312078/step Wall: 8229.32, 0.00312078/step, 2.05 hours remaining, 233.675781 MB of memory in use. ENERGY: 2635200 3996.9538 20493.4847 14585.9156 262.1777 -202619.4057 2589.2428 0.0000 0.0000 52014.3333 -108677.2978 298.9271 -160691.6310 -108318.3807 299.8842 140.0627 165.0296 763438.5111 -9.1480 -9.0527 PRESSURE: 2635400 533.866 -182.126 142.145 -182.125 44.5861 -166.954 142.144 -166.953 -68.6805 GPRESSURE: 2635400 416.071 -204.454 104.484 -128.78 216.906 -244.077 83.343 -76.5419 -45.1997 PRESSAVG: 2635400 2.35253 37.2284 32.3052 37.2284 20.3437 -73.2342 32.3052 -73.2342 6.68516 GPRESSAVG: 2635400 1.92773 38.8594 33.275 31.651 20.1504 -74.655 34.5784 -73.4322 7.52798 TIMING: 2635400 CPU: 8229.94, 0.00309714/step Wall: 8229.94, 0.00309714/step, 2.0343 hours remaining, 233.675781 MB of memory in use. ENERGY: 2635400 4040.2317 20570.5655 14468.9757 254.6752 -203112.7760 2991.6535 0.0000 0.0000 52023.5078 -108763.1665 298.9798 -160786.6743 -108405.1741 299.9175 169.9239 195.9259 761795.5850 9.7938 9.8687 PRESSURE: 2635600 324.521 51.6027 -4.22781 51.6019 181.185 154.788 -4.22794 154.787 328.636 GPRESSURE: 2635600 328.811 -47.0478 -2.45366 60.3376 264.397 117.888 -114.356 189.087 316.505 PRESSAVG: 2635600 11.4571 32.4656 -25.3157 32.4657 14.8924 -29.7007 -25.3157 -29.7007 6.43892 GPRESSAVG: 2635600 11.6842 31.0967 -26.1361 35.5571 15.2255 -29.0659 -26.7326 -29.3081 6.39203 TIMING: 2635600 CPU: 8230.56, 0.00310013/step Wall: 8230.56, 0.00310013/step, 2.0361 hours remaining, 233.675781 MB of memory in use. ENERGY: 2635600 4010.3114 20315.3630 14526.3340 240.0727 -203228.1338 3034.2586 0.0000 0.0000 52259.7002 -108842.0939 300.3372 -161101.7941 -108482.6044 299.8467 278.1141 303.2376 762005.2641 10.9295 11.1006 PRESSURE: 2635800 28.415 -162.601 8.45633 -162.601 154.163 21.7527 8.45616 21.7531 -95.1449 GPRESSURE: 2635800 39.9913 -183.426 -60.8879 -24.4646 192.117 -27.187 122.469 46.6205 -68.0221 PRESSAVG: 2635800 11.2897 25.5782 -20.528 25.5781 -18.5146 26.0202 -20.528 26.0201 8.16118 GPRESSAVG: 2635800 10.5802 26.9447 -20.8347 25.3679 -16.88 26.695 -18.8598 25.8792 7.05726 TIMING: 2635800 CPU: 8231.18, 0.00311818/step Wall: 8231.18, 0.00311818/step, 2.04778 hours remaining, 233.675781 MB of memory in use. ENERGY: 2635800 3983.2352 20456.1646 14487.4665 254.8931 -202657.4167 2507.8591 0.0000 0.0000 52050.1275 -108917.6708 299.1328 -160967.7982 -108547.4114 299.4055 29.1442 54.6953 763845.4898 0.3121 0.2525 PRESSURE: 2636000 53.2823 -202.864 118.964 -202.865 -171.1 421.636 118.964 421.636 299.3 GPRESSURE: 2636000 91.0302 -238.094 104.757 -49.1557 -110.408 389.882 53.3641 330.836 280.366 PRESSAVG: 2636000 -22.8134 0.696489 24.1354 0.696512 -24.2547 -22.7073 24.1353 -22.7073 10.0502 GPRESSAVG: 2636000 -21.5997 -1.9281 25.0901 2.58456 -26.7264 -23.1662 21.0348 -24.0252 11.2284 TIMING: 2636000 CPU: 8231.81, 0.00311742/step Wall: 8231.81, 0.00311742/step, 2.04711 hours remaining, 233.675781 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: 2636000 4010.0625 20311.8892 14561.1583 257.2886 -202861.8932 2935.5131 0.0000 0.0000 51832.3873 -108953.5942 297.8814 -160785.9815 -108589.0825 299.0252 60.4941 86.9962 761543.9440 -12.3393 -12.3659 PRESSURE: 2636200 -195.622 14.8823 -203.177 14.8814 -405.842 -54.5236 -203.178 -54.5245 -82.2335 GPRESSURE: 2636200 -167.857 -37.4033 -165.928 -39.6326 -379.646 -11.2662 -177.942 16.1587 -34.4148 PRESSAVG: 2636200 -36.3981 5.22958 21.855 5.22949 20.2947 -3.11207 21.855 -3.11197 6.98068 GPRESSAVG: 2636200 -36.5219 6.02553 19.7362 3.31457 20.236 -4.85014 23.0678 -1.64527 7.75458 TIMING: 2636200 CPU: 8232.43, 0.00312449/step Wall: 8232.43, 0.00312449/step, 2.05157 hours remaining, 233.675781 MB of memory in use. ENERGY: 2636200 4021.9659 20471.8520 14588.5006 246.3728 -202424.3721 2277.1025 0.0000 0.0000 51983.4247 -108835.1537 298.7495 -160818.5784 -108480.7963 299.4511 -227.8994 -193.9727 762785.4503 -3.0409 -2.8438 LDB: ============= START OF LOAD BALANCING ============== 8244.91 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8244.91 LDB: =============== DONE WITH MIGRATION ================ 8244.91 LDB: ============= START OF LOAD BALANCING ============== 8245.23 LDB: Largest compute 7030 load 0.030691 is 15.7% of average load 0.195177 LDB: Average compute 0.004426 is 2.3% of average load 0.195177 LDB: TIME 8245.23 LOAD: AVG 0.195177 MAX 0.213623 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.27 MB LDB: TIME 8245.23 LOAD: AVG 0.195177 MAX 0.213623 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.27 MB LDB: TIME 8245.23 LOAD: AVG 0.195177 MAX 0.213623 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.27 MB LDB: ============== END OF LOAD BALANCING =============== 8245.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8245.24 PRESSURE: 2636400 119.715 -268.28 21.7466 -268.28 57.88 115.181 21.7467 115.181 168.141 GPRESSURE: 2636400 63.9999 -213.848 -43.6765 -260.66 154.416 230.915 29.6759 45.9185 211.524 PRESSAVG: 2636400 5.11061 -21.4394 23.8709 -21.4395 20.0369 2.34657 23.871 2.34649 -8.15249 GPRESSAVG: 2636400 5.43063 -19.5 25.0225 -23.3658 20.3676 3.83355 23.4724 2.15179 -8.9698 TIMING: 2636400 CPU: 8233.07, 0.00320236/step Wall: 8233.07, 0.00320236/step, 2.10252 hours remaining, 233.800781 MB of memory in use. ENERGY: 2636400 4104.7947 20399.6805 14552.4108 234.2238 -203015.0880 2812.9432 0.0000 0.0000 52087.4172 -108823.6178 299.3471 -160911.0350 -108467.5423 299.5770 115.2453 143.3132 761533.8366 5.6650 5.6095 PRESSURE: 2636600 18.8518 58.0362 -4.32618 58.036 -50.7554 -36.9321 -4.32619 -36.9324 306.738 GPRESSURE: 2636600 -11.9745 47.6046 -64.3672 70.5165 56.1493 -67.152 143.098 -52.1429 313.131 PRESSAVG: 2636600 14.2711 -20.8653 20.0283 -20.8653 9.15166 -31.1364 20.0284 -31.1364 21.7355 GPRESSAVG: 2636600 13.3686 -21.4888 21.2761 -19.6514 10.2989 -32.7264 18.515 -29.9974 21.2738 TIMING: 2636600 CPU: 8233.7, 0.00314731/step Wall: 8233.7, 0.00314731/step, 2.06621 hours remaining, 233.800781 MB of memory in use. ENERGY: 2636600 4017.2151 20509.7221 14506.7793 254.9675 -202926.5956 2835.7813 0.0000 0.0000 52091.2348 -108710.8954 299.3690 -160802.1302 -108353.0804 299.5430 91.6115 119.1018 762341.3124 15.0528 14.9804 PRESSURE: 2636800 -2.26874 19.9859 -106.908 19.9859 -458.808 -1.64095 -106.908 -1.64086 216.272 GPRESSURE: 2636800 79.5052 -127.9 -135.846 -49.3664 -406.551 -119.419 -81.3851 -54.5062 177.044 PRESSAVG: 2636800 15.5819 -19.668 27.9796 -19.6681 14.5887 2.87513 27.9796 2.8751 12.8182 GPRESSAVG: 2636800 17.1542 -20.6201 26.5839 -20.2109 14.4401 4.71761 30.1135 -0.277448 11.385 TIMING: 2636800 CPU: 8234.33, 0.00312866/step Wall: 8234.33, 0.00312866/step, 2.05379 hours remaining, 233.800781 MB of memory in use. ENERGY: 2636800 3922.7260 20332.7957 14519.7738 233.8127 -202595.6843 2636.2068 0.0000 0.0000 52219.4585 -108730.9107 300.1059 -160950.3692 -108365.8582 300.2467 -81.6016 -50.0008 764067.6892 14.3296 14.3264 PRESSURE: 2637000 -263.741 -63.8121 -54.7431 -63.8116 140.357 -115.668 -54.7436 -115.668 -37.6361 GPRESSURE: 2637000 -201.43 -32.241 -18.7598 -77.9476 128.858 -104.252 -32.7857 -84.3724 12.7433 PRESSAVG: 2637000 -38.8811 30.7018 -26.9338 30.7018 -11.7531 43.3447 -26.9337 43.3448 -11.4227 GPRESSAVG: 2637000 -38.3347 31.4297 -28.2327 30.4586 -13.5942 42.4556 -26.785 47.0875 -10.0832 TIMING: 2637000 CPU: 8234.95, 0.00313385/step Wall: 8234.95, 0.00313385/step, 2.05703 hours remaining, 233.800781 MB of memory in use. ENERGY: 2637000 3995.1878 20681.0936 14468.9116 257.8647 -202686.0395 2530.0117 0.0000 0.0000 51966.4157 -108786.5543 298.6517 -160752.9700 -108430.2624 299.6280 -53.6734 -19.9429 764590.0092 -20.6856 -20.6707 PRESSURE: 2637200 32.2693 -25.1447 222.718 -25.1453 43.2299 -50.5765 222.717 -50.5759 -17.0015 GPRESSURE: 2637200 73.2386 61.6814 258.365 -54.041 103.041 -71.1802 210.026 -88.0737 -49.0991 PRESSAVG: 2637200 -25.2345 23.3643 11.6677 23.3643 3.20113 -36.5533 11.6677 -36.5533 30.4662 GPRESSAVG: 2637200 -27.6165 24.2782 13.785 24.1437 5.18805 -36.7711 11.6772 -39.2189 30.9826 TIMING: 2637200 CPU: 8235.58, 0.00312722/step Wall: 8235.58, 0.00312722/step, 2.0525 hours remaining, 233.800781 MB of memory in use. ENERGY: 2637200 3965.6046 20538.4934 14449.4919 232.4522 -203006.3207 2837.1234 0.0000 0.0000 52319.9450 -108663.2102 300.6834 -160983.1552 -108297.4809 299.5180 19.4992 42.3934 761713.6122 2.8109 2.8514 PRESSURE: 2637400 -11.0818 -63.4377 -74.7639 -63.4373 71.7183 -44.8688 -74.764 -44.8696 210.32 GPRESSURE: 2637400 13.7849 -134.869 -29.4658 -53.5447 197.551 -105.923 -151.839 85.6008 148.343 PRESSAVG: 2637400 1.39961 14.6307 21.696 14.6307 -24.5881 -7.81152 21.696 -7.81154 0.285999 GPRESSAVG: 2637400 2.3789 12.3443 21.2607 14.9955 -24.5411 -7.53826 20.0416 -7.13125 -0.925672 TIMING: 2637400 CPU: 8236.21, 0.00314072/step Wall: 8236.21, 0.00314072/step, 2.06119 hours remaining, 233.800781 MB of memory in use. ENERGY: 2637400 3926.1423 20407.6209 14488.4591 258.7726 -203073.6894 2793.5814 0.0000 0.0000 52117.5816 -109081.5315 299.5205 -161199.1132 -108720.7715 299.4686 90.3190 119.8929 761175.9614 -7.6342 -7.6960 PRESSURE: 2637600 36.4169 -225.312 115.52 -225.311 -108.124 -170.813 115.52 -170.812 330.141 GPRESSURE: 2637600 113.099 -234.608 142.349 -75.0454 -158.912 -236.688 80.1633 -79.3872 380.205 PRESSAVG: 2637600 -8.06281 -42.8786 51.3044 -42.8786 2.17937 -21.1502 51.3044 -21.1502 -1.31766 GPRESSAVG: 2637600 -8.08872 -41.1508 50.6071 -44.9738 0.955171 -20.9475 52.2497 -21.1017 -0.427895 TIMING: 2637600 CPU: 8236.83, 0.0031174/step Wall: 8236.83, 0.0031174/step, 2.04571 hours remaining, 233.800781 MB of memory in use. ENERGY: 2637600 3940.1303 20371.6223 14399.2139 249.7879 -203174.9563 2893.4879 0.0000 0.0000 52297.4404 -109023.2735 300.5541 -161320.7140 -108648.3538 299.4348 86.1447 111.4641 762356.6643 -2.4004 -2.5205 PRESSURE: 2637800 -376.286 27.6204 -1.38 27.62 162.765 6.1921 -1.38052 6.19263 332.325 GPRESSURE: 2637800 -247.661 15.6943 -123.469 -45.3496 141.267 75.7879 -87.0314 -119.799 307.247 PRESSAVG: 2637800 26.8236 -15.0377 -7.93265 -15.0377 13.7079 -44.6352 -7.93269 -44.6351 1.65615 GPRESSAVG: 2637800 26.3463 -15.5176 -5.46071 -13.018 13.343 -45.0484 -7.3784 -44.051 2.3674 TIMING: 2637800 CPU: 8237.46, 0.00313259/step Wall: 8237.46, 0.00313259/step, 2.0555 hours remaining, 233.800781 MB of memory in use. ENERGY: 2637800 3921.1908 20524.0793 14458.1534 241.1204 -202864.2035 2617.6249 0.0000 0.0000 51952.9105 -109149.1242 298.5741 -161102.0346 -108793.3335 299.5851 39.6015 66.9509 761558.8794 14.0626 14.0189 PRESSURE: 2638000 -174.483 58.191 113.896 58.1915 -158.212 327.042 113.895 327.042 14.5834 GPRESSURE: 2638000 -165.297 62.7612 94.5629 -1.64133 -36.149 266.539 -51.5446 280.697 -30.1984 PRESSAVG: 2638000 -59.4865 57.8835 13.2529 57.8835 55.7922 16.1244 13.253 16.1244 15.7729 GPRESSAVG: 2638000 -57.7372 57.5752 10.8726 56.2766 55.7727 17.5276 11.8878 14.2929 13.7981 TIMING: 2638000 CPU: 8238.08, 0.00310734/step Wall: 8238.08, 0.00310734/step, 2.03876 hours remaining, 233.800781 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: 2638000 4000.5487 20655.6130 14330.8484 258.9587 -203039.7598 2727.1201 0.0000 0.0000 51958.7150 -109107.9560 298.6074 -161066.6710 -108755.4173 299.2362 -106.0371 -77.2148 764164.1211 4.0262 3.9445 PRESSURE: 2638200 -242.226 -34.7891 -119.504 -34.7881 -64.415 132.351 -119.504 132.351 260.729 GPRESSURE: 2638200 -233.339 -34.733 -145.891 -78.8924 15.6905 210.19 -51.7743 111 240.729 PRESSAVG: 2638200 -13.7473 3.51958 22.8788 3.51961 -42.2737 28.963 22.8789 28.9631 10.084 GPRESSAVG: 2638200 -14.9737 4.06762 21.8971 4.40544 -42.0863 27.8328 25.248 29.1317 11.1809 TIMING: 2638200 CPU: 8238.7, 0.00311091/step Wall: 8238.7, 0.00311091/step, 2.04093 hours remaining, 233.800781 MB of memory in use. ENERGY: 2638200 3966.5916 20646.4776 14352.1894 270.1813 -203172.5314 2645.2256 0.0000 0.0000 52139.5751 -109152.2907 299.6469 -161291.8658 -108782.9984 299.2420 -15.3040 7.6934 762617.8490 -15.3123 -15.2931 PRESSURE: 2638400 -128.905 -259.129 171.055 -259.128 301.405 82.1578 171.055 82.158 279.303 GPRESSURE: 2638400 -29.0699 -87.325 265.996 -206.333 238.75 69.9399 59.4069 92.982 320.718 PRESSAVG: 2638400 -7.48954 -61.0225 45.3815 -61.0226 18.2754 39.8654 45.3815 39.8653 -9.33662 GPRESSAVG: 2638400 -7.62857 -59.3235 47.1797 -61.0745 18.5088 38.9834 44.1044 41.0749 -9.63486 TIMING: 2638400 CPU: 8239.33, 0.00312414/step Wall: 8239.33, 0.00312414/step, 2.04944 hours remaining, 233.800781 MB of memory in use. ENERGY: 2638400 3922.4647 20547.2148 14473.9490 239.9390 -202971.9237 2562.7883 0.0000 0.0000 52041.6404 -109183.9275 299.0840 -161225.5679 -108807.5686 299.2026 150.6008 176.7995 762756.8438 0.4831 0.4151 PRESSURE: 2638600 158.82 -71.2402 -26.7151 -71.2411 -260.205 -2.1882 -26.7142 -2.18848 -445.001 GPRESSURE: 2638600 142.909 -91.2286 -78.338 91.3743 -203.264 -46.8639 98.8784 62.1055 -395.604 PRESSAVG: 2638600 11.1193 -22.4742 -18.7495 -22.4742 9.30627 -9.50334 -18.7496 -9.50343 -17.9765 GPRESSAVG: 2638600 12.396 -23.5477 -19.2375 -22.1441 8.51801 -7.8237 -18.8909 -9.90657 -18.3624 TIMING: 2638600 CPU: 8239.95, 0.00312829/step Wall: 8239.95, 0.0031283/step, 2.05199 hours remaining, 233.800781 MB of memory in use. ENERGY: 2638600 4067.5849 20492.6425 14423.0021 264.6252 -203104.6281 2538.2701 0.0000 0.0000 52252.1397 -109066.3635 300.2938 -161318.5032 -108702.8009 299.3813 -182.1285 -151.9866 762283.1912 0.8163 0.8505 PRESSURE: 2638800 168.379 -241.043 -155.196 -241.044 327.15 -83.1309 -155.196 -83.1301 646.187 GPRESSURE: 2638800 292.107 -263.809 -118.97 -217.433 252.992 -73.0842 -73.6288 -2.90241 684.945 PRESSAVG: 2638800 33.9116 -56.493 -19.2618 -56.493 -2.51657 -60.6993 -19.2618 -60.6993 -3.22874 GPRESSAVG: 2638800 32.9251 -57.2547 -19.57 -56.721 -2.51709 -61.2772 -19.8274 -60.7323 -2.09956 TIMING: 2638800 CPU: 8240.58, 0.00313361/step Wall: 8240.58, 0.00313361/step, 2.0553 hours remaining, 233.800781 MB of memory in use. ENERGY: 2638800 3973.2947 20560.1069 14505.1103 260.1921 -203396.3992 3100.6358 0.0000 0.0000 52083.5638 -108913.4957 299.3250 -160997.0595 -108546.6910 299.6625 380.5720 410.0145 763919.4197 9.3888 9.4361 PRESSURE: 2639000 -313.644 -70.8297 -5.48888 -70.8309 -486.638 -97.4628 -5.48984 -97.4631 -149.631 GPRESSURE: 2639000 -293.341 -185.96 13.2686 14.1399 -394.504 -147.595 55.7051 -36.6342 -186.942 PRESSAVG: 2639000 -20.5553 15.7437 -35.6443 15.7436 -20.3491 3.90542 -35.6444 3.90538 -18.5129 GPRESSAVG: 2639000 -20.6555 13.8589 -35.0383 15.6079 -19.5153 3.44492 -34.6547 3.34369 -19.4528 TIMING: 2639000 CPU: 8241.21, 0.00316427/step Wall: 8241.21, 0.00316427/step, 2.07523 hours remaining, 233.800781 MB of memory in use. ENERGY: 2639000 3979.4395 20539.1202 14447.8322 249.9083 -203116.0412 2662.3007 0.0000 0.0000 52262.4880 -108974.9523 300.3532 -161237.4403 -108605.3362 299.4846 -316.6377 -291.5955 762823.0104 -19.8058 -19.8746 PRESSURE: 2639200 -283.765 -174.814 -206.805 -174.814 -14.3538 81.1482 -206.806 81.1483 -87.3312 GPRESSURE: 2639200 -195.504 -131.924 -218.74 -218.27 -45.2232 164.443 -256.025 183.645 -39.4563 PRESSAVG: 2639200 -19.8251 -12.963 -80.4359 -12.963 6.81166 11.6777 -80.4359 11.6776 15.7697 GPRESSAVG: 2639200 -19.4856 -10.616 -81.3394 -12.9535 6.90866 10.8732 -79.9886 13.2072 15.6139 TIMING: 2639200 CPU: 8241.84, 0.00312915/step Wall: 8241.84, 0.00312915/step, 2.05203 hours remaining, 233.800781 MB of memory in use. ENERGY: 2639200 4112.9717 20606.4632 14335.7225 253.2445 -203359.0538 2722.5632 0.0000 0.0000 52265.0729 -109063.0158 300.3681 -161328.0887 -108708.3411 299.6192 -128.4833 -93.3946 762706.4692 0.9187 1.0123 PRESSURE: 2639400 -246.458 140.913 -273.321 140.913 -52.1496 -16.2287 -273.321 -16.2291 -343.054 GPRESSURE: 2639400 -274.857 183.075 -256.568 143.869 -18.7684 -16.6171 -309.154 -73.9449 -278.358 PRESSAVG: 2639400 -72.4949 4.42235 -91.1214 4.42233 7.11485 -43.6959 -91.1214 -43.696 16.9134 GPRESSAVG: 2639400 -73.5136 4.01251 -91.1627 3.35471 7.40871 -43.7975 -90.6493 -41.7342 17.0808 TIMING: 2639400 CPU: 8242.46, 0.00312673/step Wall: 8242.46, 0.00312673/step, 2.05027 hours remaining, 233.800781 MB of memory in use. ENERGY: 2639400 4003.9767 20527.4887 14456.1773 272.3107 -202882.0325 2406.4009 0.0000 0.0000 52093.3350 -109122.3432 299.3811 -161215.6782 -108752.8846 300.0119 -213.8874 -190.6610 763121.1401 -16.1556 -16.3414 PRESSURE: 2639600 -70.5313 10.7265 19.4104 10.7261 -482.424 -177.025 19.4101 -177.025 -106.336 GPRESSURE: 2639600 -91.7743 -8.59608 -90.7467 -55.608 -400.46 -227.845 33.6098 -35.4346 -81.4082 PRESSAVG: 2639600 -33.792 0.352008 -46.5462 0.351991 4.05407 19.0876 -46.5462 19.0876 -10.8486 GPRESSAVG: 2639600 -33.8402 2.25731 -46.4074 0.375519 4.29081 19.0105 -47.1843 17.4598 -10.9439 TIMING: 2639600 CPU: 8243.09, 0.00313991/step Wall: 8243.09, 0.00313991/step, 2.05873 hours remaining, 233.800781 MB of memory in use. ENERGY: 2639600 3990.1117 20529.6926 14503.9370 251.8692 -202743.6634 2368.1893 0.0000 0.0000 52075.3017 -109024.5619 299.2775 -161099.8636 -108656.0870 299.2753 -219.7635 -191.2143 761387.5987 -13.5288 -13.4978 PRESSURE: 2639800 237.751 96.9856 -42.343 96.986 -259.646 -119.427 -42.3429 -119.427 130.321 GPRESSURE: 2639800 132.68 191.484 -54.2862 28.5649 -147.952 -224.591 -127.49 -112.25 202.498 PRESSAVG: 2639800 -50.8083 35.2252 31.1443 35.2252 24.827 -8.92096 31.1443 -8.92101 -11.9435 GPRESSAVG: 2639800 -51.853 34.1838 31.9024 36.1132 25.3585 -8.75765 30.2393 -8.93765 -11.4979 TIMING: 2639800 CPU: 8243.71, 0.0030989/step Wall: 8243.71, 0.0030989/step, 2.03167 hours remaining, 233.800781 MB of memory in use. ENERGY: 2639800 3918.2141 20669.0640 14463.7145 247.9903 -202984.0596 2721.3061 0.0000 0.0000 52132.9608 -108830.8098 299.6088 -160963.7706 -108476.9244 299.7599 36.1420 62.4091 762279.5106 -12.6416 -12.6642 PRESSURE: 2640000 160.359 47.4014 -211.475 47.4013 52.0513 214.901 -211.475 214.9 19.0651 GPRESSURE: 2640000 169.183 91.8207 -84.6757 -24.5784 39.6025 239.953 -131.354 113.378 92.7934 PRESSAVG: 2640000 17.3371 37.169 16.1568 37.1691 -25.8802 -22.9285 16.1568 -22.9285 21.9103 GPRESSAVG: 2640000 18.3043 35.795 16.6305 38.7094 -27.0661 -22.7265 18.0252 -22.2767 21.6684 TIMING: 2640000 CPU: 8244.33, 0.00312125/step Wall: 8244.33, 0.00312125/step, 2.04616 hours remaining, 233.800781 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: 2640000 4004.3029 20525.2478 14460.4927 229.9854 -202978.9154 2896.9975 0.0000 0.0000 52154.5824 -108707.3066 299.7331 -160861.8890 -108346.0360 300.1451 77.1586 100.5264 762733.4282 4.4557 4.3022 PRESSURE: 2640200 -376.916 -174.369 -282.002 -174.369 59.689 235.258 -282.002 235.259 -294.187 GPRESSURE: 2640200 -325.849 -93.3065 -311.106 -161.69 30.7485 145.463 -229.819 102.564 -239.164 PRESSAVG: 2640200 -12.2441 -3.3964 -18.5806 -3.39644 21.6961 -22.519 -18.5807 -22.5191 -4.13718 GPRESSAVG: 2640200 -11.475 -2.23418 -20.1134 -5.61335 20.4175 -23.366 -20.4847 -24.2746 -3.77916 TIMING: 2640200 CPU: 8244.96, 0.00311151/step Wall: 8244.96, 0.00311151/step, 2.03959 hours remaining, 233.800781 MB of memory in use. ENERGY: 2640200 4000.7554 20566.7591 14505.1232 248.4222 -202598.3347 2600.3484 0.0000 0.0000 52208.3910 -108468.5353 300.0423 -160676.9263 -108098.6522 299.9640 -203.8046 -178.0881 763082.7791 1.7716 1.7211 LDB: ============= START OF LOAD BALANCING ============== 8257.43 LDB: ============== END OF LOAD BALANCING =============== 8257.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8257.44 LDB: ============= START OF LOAD BALANCING ============== 8257.75 LDB: Largest compute 7069 load 0.031149 is 16.0% of average load 0.195149 LDB: Average compute 0.004408 is 2.3% of average load 0.195149 LDB: TIME 8257.75 LOAD: AVG 0.195149 MAX 0.215486 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.855 MB LDB: TIME 8257.75 LOAD: AVG 0.195149 MAX 0.215486 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.922 MB LDB: TIME 8257.75 LOAD: AVG 0.195149 MAX 0.215486 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.922 MB LDB: ============== END OF LOAD BALANCING =============== 8257.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8257.76 PRESSURE: 2640400 -223.965 -3.62365 189.665 -3.62433 -186.114 121.592 189.664 121.593 -556.853 GPRESSURE: 2640400 -166.452 -71.4648 170.468 22.3531 -189.222 99.8087 198.364 150.918 -533.727 PRESSAVG: 2640400 -45.1231 15.9615 19.6148 15.9615 53.9717 -9.23255 19.6148 -9.23259 -6.37402 GPRESSAVG: 2640400 -46.6838 15.5419 19.4701 17.4 55.5466 -8.55181 21.6535 -8.01078 -6.66791 TIMING: 2640400 CPU: 8245.59, 0.00316709/step Wall: 8245.59, 0.00316709/step, 2.07585 hours remaining, 236.304688 MB of memory in use. ENERGY: 2640400 4020.3076 20597.9219 14413.3365 242.1920 -202339.5914 2477.4153 0.0000 0.0000 52095.9196 -108492.4986 299.3960 -160588.4182 -108133.7491 300.6998 -322.3103 -296.4669 763778.9067 0.8249 0.7316 PRESSURE: 2640600 133.519 166.954 26.9867 166.955 456.512 -228.669 26.9865 -228.669 271.753 GPRESSURE: 2640600 159.924 245.87 85.7373 218.31 487.703 -197.186 -58.5233 -77.0602 298.707 PRESSAVG: 2640600 -17.3659 85.7021 19.8518 85.7021 36.9793 -6.25212 19.8519 -6.25211 7.19344 GPRESSAVG: 2640600 -16.6241 85.7763 20.398 86.1076 36.8758 -5.45134 19.7107 -4.39918 6.1272 TIMING: 2640600 CPU: 8246.21, 0.00311274/step Wall: 8246.21, 0.00311274/step, 2.04005 hours remaining, 236.507812 MB of memory in use. ENERGY: 2640600 4046.5063 20564.8816 14419.2118 243.1283 -203232.1067 3049.7012 0.0000 0.0000 52400.6090 -108508.0684 301.1470 -160908.6774 -108146.7711 300.4667 287.2611 315.4448 762848.0202 8.9356 8.7930 PRESSURE: 2640800 178.723 -38.2536 2.92212 -38.2542 -52.423 38.2509 2.9222 38.2504 -31.5049 GPRESSURE: 2640800 229.24 28.3121 -18.469 2.37288 -32.4401 52.5756 -19.2321 -20.9592 5.27055 PRESSAVG: 2640800 25.2696 21.8665 -23.6721 21.8665 34.1133 -20.1449 -23.6721 -20.1449 -7.98229 GPRESSAVG: 2640800 24.2203 20.5508 -22.3475 22.2491 35.0504 -20.5002 -26.1186 -23.3728 -7.65805 TIMING: 2640800 CPU: 8246.84, 0.00311679/step Wall: 8246.84, 0.00311679/step, 2.04254 hours remaining, 236.507812 MB of memory in use. ENERGY: 2640800 3976.0265 20539.7102 14489.4192 247.4790 -203079.6424 2744.5899 0.0000 0.0000 52439.7735 -108642.6442 301.3721 -161082.4177 -108269.6216 300.4302 31.5984 67.3568 762570.9105 17.1335 17.2042 PRESSURE: 2641000 -451.315 2.87344 -72.7909 2.87332 -116.586 -2.55201 -72.7903 -2.55199 -490.651 GPRESSURE: 2641000 -386.532 -25.2194 -90.791 35.1328 -117.397 13.6381 -87.3866 66.8526 -464.283 PRESSAVG: 2641000 -16.0701 22.0705 37.3143 22.0705 28.6747 33.713 37.3143 33.713 17.3516 GPRESSAVG: 2641000 -15.6533 21.9698 35.1882 22.6392 27.125 32.9866 41.1116 35.8475 18.0959 TIMING: 2641000 CPU: 8247.46, 0.00311387/step Wall: 8247.46, 0.00311387/step, 2.04045 hours remaining, 236.507812 MB of memory in use. ENERGY: 2641000 3937.5892 20532.2876 14510.0608 246.4553 -202663.8640 2645.4227 0.0000 0.0000 52412.6292 -108379.4191 301.2161 -160792.0484 -108006.9766 300.6656 -352.8507 -322.7375 764013.9456 9.9854 9.8558 PRESSURE: 2641200 48.1639 -1.83473 -124.828 -1.8356 -161.588 83.458 -124.828 83.458 128.186 GPRESSURE: 2641200 65.4597 -7.60582 -83.8306 80.3293 -134.45 46.4369 -112.672 126.856 175.813 PRESSAVG: 2641200 2.14138 51.615 23.1991 51.6149 -6.23382 34.7234 23.1991 34.7234 -33.081 GPRESSAVG: 2641200 2.3332 53.5567 25.0129 51.0078 -5.66187 34.1853 20.2398 32.8828 -33.8621 TIMING: 2641200 CPU: 8248.08, 0.00311728/step Wall: 8248.08, 0.00311728/step, 2.04251 hours remaining, 236.507812 MB of memory in use. ENERGY: 2641200 4012.0576 20443.6836 14404.2627 250.5011 -202529.9649 2818.6994 0.0000 0.0000 52263.6212 -108337.1393 300.3597 -160600.7605 -107976.7955 300.8769 4.9206 35.6077 764833.6068 -12.3911 -12.3969 PRESSURE: 2641400 480.098 62.974 -49.9243 62.9746 120.675 42.3455 -49.924 42.3459 140.945 GPRESSURE: 2641400 485.661 67.3994 9.1879 102.285 157.512 6.78965 58.78 -83.8171 171.537 PRESSAVG: 2641400 21.4638 27.3347 7.4036 27.3347 -13.9342 -24.0235 7.40361 -24.0235 10.4817 GPRESSAVG: 2641400 22.5594 25.9135 4.69692 27.5046 -15.2218 -23.334 10.6504 -21.9147 10.5248 TIMING: 2641400 CPU: 8248.7, 0.00308787/step Wall: 8248.7, 0.00308787/step, 2.02307 hours remaining, 236.507812 MB of memory in use. ENERGY: 2641400 4024.7984 20613.9250 14498.7657 254.4167 -202953.4542 2918.1173 0.0000 0.0000 52255.5466 -108387.8847 300.3133 -160643.4313 -108031.4815 300.7174 247.2393 271.5701 763196.7612 6.0037 5.9541 PRESSURE: 2641600 148.062 -29.1629 91.6925 -29.1629 -393.18 193.751 91.6925 193.751 148.338 GPRESSURE: 2641600 181.002 31.5258 19.5128 -67.6445 -305.728 321.372 -8.25445 123.656 118.913 PRESSAVG: 2641600 50.1873 30.7917 11.137 30.7917 -32.9901 -14.0591 11.137 -14.0592 33.9216 GPRESSAVG: 2641600 49.4605 28.9982 13.6955 32.5533 -32.3143 -12.7999 9.02154 -16.9398 34.3214 TIMING: 2641600 CPU: 8249.32, 0.00309471/step Wall: 8249.32, 0.00309471/step, 2.02738 hours remaining, 236.507812 MB of memory in use. ENERGY: 2641600 3990.3535 20525.8662 14527.1113 241.6118 -202740.6747 2731.9893 0.0000 0.0000 52075.4182 -108648.3243 299.2781 -160723.7425 -108283.8485 300.2723 -32.2602 -1.9377 764921.1033 17.0396 17.1559 PRESSURE: 2641800 87.4761 -106.873 -271.788 -106.873 -345.253 176.591 -271.787 176.592 172.642 GPRESSURE: 2641800 138.861 -25.333 -171.671 -107.572 -268.978 160.18 -250.248 150.96 147.257 PRESSAVG: 2641800 22.5961 65.6287 27.1047 65.6287 -41.6999 33.7307 27.1047 33.7307 -3.9258 GPRESSAVG: 2641800 21.7716 66.9348 26.6876 63.4435 -42.2554 31.7271 29.193 34.1608 -2.31157 TIMING: 2641800 CPU: 8249.94, 0.00312169/step Wall: 8249.94, 0.00312169/step, 2.04488 hours remaining, 236.507812 MB of memory in use. ENERGY: 2641800 3970.8124 20447.2209 14519.5266 235.7031 -202667.2273 2569.0734 0.0000 0.0000 52325.3172 -108599.5737 300.7143 -160924.8910 -108234.3183 300.2661 -28.3783 5.7133 763163.6201 -7.6765 -7.5985 PRESSURE: 2642000 -56.7186 30.9285 -79.2254 30.9273 405.516 -37.1056 -79.2248 -37.105 -35.9615 GPRESSURE: 2642000 -65.371 56.8943 -75.0191 -30.551 441.092 4.29325 -90.4997 -51.6804 10.3559 PRESSAVG: 2642000 -5.70778 15.9207 -1.44595 15.9206 -9.07129 46.5279 -1.44593 46.5278 2.03111 GPRESSAVG: 2642000 -5.45123 16.3905 -1.22739 15.4878 -8.10021 46.3232 -4.29234 49.844 0.629616 TIMING: 2642000 CPU: 8250.56, 0.00310247/step Wall: 8250.56, 0.00310247/step, 2.03212 hours remaining, 236.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2642000 3970.3810 20470.3500 14516.5869 237.3773 -202585.5026 2483.2210 0.0000 0.0000 52073.5832 -108834.0033 299.2676 -160907.5865 -108464.7339 300.0793 104.2785 128.6924 763696.9863 -4.2493 -4.3073 PRESSURE: 2642200 352.061 11.9014 -142.279 11.9014 -26.9976 -15.0227 -142.28 -15.0227 49.5808 GPRESSURE: 2642200 442.87 39.9748 -95.7352 -30.9901 -64.7161 -36.4047 -108.836 -76.5988 55.629 PRESSAVG: 2642200 -6.81018 83.3146 -2.15126 83.3146 26.6936 18.7309 -2.15118 18.7308 -20.7218 GPRESSAVG: 2642200 -7.13134 83.0948 -4.30303 84.456 27.0953 18.9319 -0.684679 17.5281 -20.5237 TIMING: 2642200 CPU: 8251.19, 0.00311657/step Wall: 8251.19, 0.00311657/step, 2.04118 hours remaining, 236.507812 MB of memory in use. ENERGY: 2642200 3908.5617 20454.5023 14473.4808 243.2232 -203090.5682 2996.3525 0.0000 0.0000 52146.2975 -108868.1502 299.6855 -161014.4477 -108511.7216 299.8806 124.8814 144.5944 763118.8668 -0.2795 -0.1866 PRESSURE: 2642400 -14.8383 23.4402 223.606 23.4411 51.7065 -143.163 223.606 -143.163 -168.498 GPRESSURE: 2642400 6.96961 3.60386 328.344 123.663 20.5266 -33.33 125.474 -97.6057 -103.887 PRESSAVG: 2642400 2.00473 11.4981 -7.19583 11.4981 -95.1911 26.7336 -7.19585 26.7336 -31.8892 GPRESSAVG: 2642400 2.33046 13.7231 -6.27032 10.5649 -94.5738 27.8721 -7.2148 27.3688 -32.6671 TIMING: 2642400 CPU: 8251.81, 0.00310865/step Wall: 8251.81, 0.00310865/step, 2.03582 hours remaining, 236.507812 MB of memory in use. ENERGY: 2642400 4043.2330 20489.8957 14552.2723 244.5540 -202822.3156 2620.8292 0.0000 0.0000 52066.5032 -108805.0282 299.2269 -160871.5315 -108441.9919 299.9947 -43.8767 -25.4636 762817.1084 -41.6919 -41.6368 PRESSURE: 2642600 -11.5044 -124.002 -96.9793 -124.003 -265.879 13.3205 -96.9791 13.3202 33.8122 GPRESSURE: 2642600 53.7141 -60.6715 -78.2512 -118.157 -297.804 37.5162 68.0233 -86.7298 95.6964 PRESSAVG: 2642600 13.8298 14.0783 24.5502 14.0783 2.2276 -40.2656 24.5502 -40.2657 -11.979 GPRESSAVG: 2642600 14.3324 12.8774 24.0911 13.6745 1.42714 -39.6862 25.5848 -41.1337 -11.0415 TIMING: 2642600 CPU: 8252.43, 0.00310988/step Wall: 8252.43, 0.00310988/step, 2.03645 hours remaining, 236.507812 MB of memory in use. ENERGY: 2642600 4002.0461 20403.1895 14466.7039 265.4674 -202896.9325 2657.4747 0.0000 0.0000 52300.0326 -108802.0183 300.5690 -161102.0509 -108433.1823 300.1174 -81.1905 -49.4644 762906.6372 1.3595 1.5727 PRESSURE: 2642800 -71.7012 91.6512 141.426 91.6521 -70.419 69.752 141.426 69.7517 153.755 GPRESSURE: 2642800 -29.5225 44.1494 50.8389 -0.989699 13.2609 218.66 159.291 55.4573 130.836 PRESSAVG: 2642800 -11.3012 -22.7276 24.8314 -22.7276 4.49679 12.9612 24.8314 12.9612 -2.18854 GPRESSAVG: 2642800 -11.1556 -24.7867 25.5679 -21.0838 4.06765 13.7803 23.1787 12.4065 -1.77788 TIMING: 2642800 CPU: 8253.06, 0.00312422/step Wall: 8253.06, 0.00312422/step, 2.04567 hours remaining, 236.507812 MB of memory in use. ENERGY: 2642800 3938.8348 20489.3860 14486.2657 224.8152 -202563.8140 2422.4992 0.0000 0.0000 52130.7933 -108871.2197 299.5964 -161002.0131 -108504.5506 299.4892 3.8781 38.1916 763229.8561 -2.9976 -2.9553 PRESSURE: 2643000 222.869 2.5116 -119.409 2.5123 -71.0011 -9.21679 -119.41 -9.21633 -165.173 GPRESSURE: 2643000 157.873 -153.887 -127.346 27.1397 25.5726 -65.842 -81.4125 42.5938 -104.097 PRESSAVG: 2643000 7.11094 2.58812 -11.5844 2.58808 -61.8559 -8.98092 -11.5844 -8.9809 -6.93207 GPRESSAVG: 2643000 6.63526 3.22863 -11.1134 2.36389 -61.1021 -9.98166 -10.4922 -8.34747 -7.03118 TIMING: 2643000 CPU: 8253.68, 0.00312045/step Wall: 8253.68, 0.00312045/step, 2.04303 hours remaining, 236.507812 MB of memory in use. ENERGY: 2643000 3983.5247 20530.5114 14463.3193 231.8451 -202892.7581 2656.1361 0.0000 0.0000 52247.6464 -108779.7751 300.2679 -161027.4215 -108411.3549 299.7229 -4.4350 26.4495 762048.3785 -20.5590 -20.4993 PRESSURE: 2643200 -211.371 -41.4484 85.3032 -41.4488 9.90725 -141.419 85.3028 -141.419 -222.408 GPRESSURE: 2643200 -124.056 60.2044 73.2536 -126.454 40.5305 -108.337 131.426 -87.7397 -241.681 PRESSAVG: 2643200 20.0576 36.7309 -33.7219 36.731 -1.85861 37.1615 -33.7219 37.1615 8.73115 GPRESSAVG: 2643200 20.4168 37.6988 -34.9156 37.5024 -2.61766 35.5271 -33.4757 38.4429 9.53529 TIMING: 2643200 CPU: 8254.3, 0.00311625/step Wall: 8254.3, 0.00311625/step, 2.04011 hours remaining, 236.507812 MB of memory in use. ENERGY: 2643200 4049.6088 20668.9900 14365.2739 234.0038 -202618.5439 2499.0969 0.0000 0.0000 52260.0181 -108541.5523 300.3390 -160801.5705 -108187.1240 300.4106 -141.2906 -108.4022 763557.0586 8.9767 9.1115 PRESSURE: 2643400 -55.6836 -89.4197 79.7214 -89.4201 -148.831 16.0286 79.721 16.0287 29.0572 GPRESSURE: 2643400 53.0688 -120.797 102.61 -148.899 -103.564 15.1185 132.717 208.857 -52.9014 PRESSAVG: 2643400 26.543 18.2418 21.5916 18.2418 -32.8064 -20.6271 21.5916 -20.627 -5.78954 GPRESSAVG: 2643400 28.527 17.8655 23.0417 14.8329 -33.3949 -19.958 19.9391 -21.5025 -7.11279 TIMING: 2643400 CPU: 8254.92, 0.0030799/step Wall: 8254.92, 0.0030799/step, 2.01614 hours remaining, 236.507812 MB of memory in use. ENERGY: 2643400 3961.5081 20608.2752 14366.3852 239.2192 -202807.1342 2841.2033 0.0000 0.0000 52179.4362 -108611.1071 299.8759 -160790.5432 -108259.8844 300.4922 -58.4858 -34.4654 765852.9139 -4.0176 -3.9936 PRESSURE: 2643600 -161.412 105.863 112.168 105.863 -62.0795 73.0463 112.168 73.0464 -61.1541 GPRESSURE: 2643600 -145.013 54.3332 90.6248 160.638 -14.9895 91.5517 123.013 -103.869 -53.4651 PRESSAVG: 2643600 12.3837 -23.2651 -8.8367 -23.265 -9.60137 18.5345 -8.83672 18.5345 23.4597 GPRESSAVG: 2643600 11.4841 -22.9659 -10.7245 -20.2599 -9.15717 19.9516 -5.08636 15.8926 23.922 TIMING: 2643600 CPU: 8255.54, 0.00310643/step Wall: 8255.54, 0.00310643/step, 2.03333 hours remaining, 236.507812 MB of memory in use. ENERGY: 2643600 3964.4407 20605.1265 14415.9134 253.0509 -202872.2502 2704.7741 0.0000 0.0000 52154.2045 -108774.7401 299.7309 -160928.9446 -108415.3140 300.1605 -94.8819 -71.1558 764930.2450 8.7473 8.7497 PRESSURE: 2643800 -225.146 223.543 -3.85048 223.543 151.094 136.763 -3.8518 136.763 114.446 GPRESSURE: 2643800 -131.792 278.868 -108.986 166.31 104.586 82.0553 227.643 98.9268 135.298 PRESSAVG: 2643800 -19.1157 5.18594 -26.9055 5.18598 -5.18073 33.486 -26.9055 33.486 -7.40627 GPRESSAVG: 2643800 -19.0421 4.13889 -26.7569 6.31955 -5.13411 33.3186 -29.7824 36.7407 -6.76816 TIMING: 2643800 CPU: 8256.16, 0.00311464/step Wall: 8256.16, 0.00311464/step, 2.03853 hours remaining, 236.507812 MB of memory in use. ENERGY: 2643800 3965.0441 20674.6484 14436.7039 253.4916 -202881.8764 2629.9698 0.0000 0.0000 52167.9934 -108754.0253 299.8102 -160922.0186 -108389.2293 299.9540 13.4644 36.0307 764636.3193 -10.5676 -10.3148 PRESSURE: 2644000 28.0666 59.3179 -31.4156 59.3188 -151.337 -233.654 -31.4155 -233.654 -232.05 GPRESSURE: 2644000 -23.6048 80.7695 -0.562508 -67.6726 -118.725 -227.119 -123.412 -201.204 -111.131 PRESSAVG: 2644000 10.5539 49.8148 19.1144 49.8149 -22.6026 22.7039 19.1145 22.7038 8.30239 GPRESSAVG: 2644000 9.1989 50.0865 20.2913 45.374 -22.1219 22.2054 19.1882 23.1601 8.96063 TIMING: 2644000 CPU: 8256.79, 0.00311786/step Wall: 8256.79, 0.00311786/step, 2.04047 hours remaining, 236.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2644000 4021.8864 20593.1115 14413.1115 239.8309 -202637.1927 2572.5545 0.0000 0.0000 52161.0496 -108635.6483 299.7703 -160796.6979 -108281.9555 300.0496 -118.4402 -84.4871 766219.6472 -1.2488 -1.3208 PRESSURE: 2644200 -111.115 354.084 64.0604 354.084 -368.129 22.5341 64.061 22.5357 -31.4284 GPRESSURE: 2644200 -68.2887 341.666 44.9128 325.958 -354.307 36.7197 45.3521 42.2411 1.26017 PRESSAVG: 2644200 54.4586 36.9813 28.2112 36.9814 -30.7379 39.0463 28.2112 39.0463 -19.9251 GPRESSAVG: 2644200 55.0869 37.2435 27.6303 37.1464 -29.7092 38.1345 26.9999 36.872 -21.382 TIMING: 2644200 CPU: 8257.4, 0.00308849/step Wall: 8257.4, 0.00308849/step, 2.02108 hours remaining, 236.507812 MB of memory in use. ENERGY: 2644200 3995.6396 20431.2328 14505.4360 259.7111 -202788.3242 2627.2585 0.0000 0.0000 52195.0578 -108773.9885 299.9657 -160969.0463 -108410.9187 300.5050 -170.2242 -140.4452 763756.8490 1.2652 1.3319 LDB: ============= START OF LOAD BALANCING ============== 8269.88 LDB: ============== END OF LOAD BALANCING =============== 8269.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8269.88 LDB: ============= START OF LOAD BALANCING ============== 8270.19 LDB: Largest compute 7069 load 0.031171 is 16.0% of average load 0.195174 LDB: Average compute 0.004412 is 2.3% of average load 0.195174 LDB: TIME 8270.2 LOAD: AVG 0.195174 MAX 0.215715 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.379 MB LDB: TIME 8270.2 LOAD: AVG 0.195174 MAX 0.215715 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.379 MB LDB: TIME 8270.2 LOAD: AVG 0.195174 MAX 0.215715 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.379 MB LDB: ============== END OF LOAD BALANCING =============== 8270.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8270.21 PRESSURE: 2644400 39.0522 -1.92457 69.0061 -1.92419 -242.603 139.285 69.0055 139.284 57.1651 GPRESSURE: 2644400 93.7851 -135.941 172.086 -70.8332 -251.925 171.476 96.8019 135.392 104.718 PRESSAVG: 2644400 53.6676 8.96267 -16.8624 8.96271 -11.7032 -44.0919 -16.8624 -44.0919 10.4575 GPRESSAVG: 2644400 54.5942 8.80909 -15.9215 9.36872 -11.3076 -41.2524 -15.2238 -45.6465 8.9572 TIMING: 2644400 CPU: 8258.04, 0.00317476/step Wall: 8258.04, 0.00317476/step, 2.07735 hours remaining, 234.824219 MB of memory in use. ENERGY: 2644400 4054.2487 20384.2109 14508.6676 238.6267 -202925.1774 2658.6329 0.0000 0.0000 52298.6657 -108782.1250 300.5612 -161080.7906 -108422.9005 300.0513 -48.7952 -17.8075 762160.2657 17.4740 17.4146 PRESSURE: 2644600 152.314 106.156 -164.914 106.156 287.647 -84.6646 -164.914 -84.6653 362.14 GPRESSURE: 2644600 109.445 84.9839 -77.8892 151.487 385.595 -83.9945 -141.243 19.5917 386.312 PRESSAVG: 2644600 57.6981 25.2922 25.2168 25.2922 -31.3219 -0.796219 25.2168 -0.7962 -5.08229 GPRESSAVG: 2644600 56.3463 27.9435 24.6511 24.9836 -31.73 -0.0369147 24.4867 -0.401405 -2.85458 TIMING: 2644600 CPU: 8258.66, 0.00312649/step Wall: 8258.66, 0.00312649/step, 2.04559 hours remaining, 234.824219 MB of memory in use. ENERGY: 2644600 3938.3241 20574.0737 14433.1919 242.2485 -203024.3629 2866.5339 0.0000 0.0000 52247.4478 -108722.5429 300.2668 -160969.9907 -108349.0863 300.0380 267.3672 293.7837 763813.9819 7.0980 7.2539 PRESSURE: 2644800 252.683 48.0282 -333.666 48.0284 259.774 -120.302 -333.666 -120.302 -108.301 GPRESSURE: 2644800 322.108 20.005 -249.857 0.189661 269.194 -181.933 -200.462 -131.358 -65.31 PRESSAVG: 2644800 -4.02245 -14.1228 31.8965 -14.1228 -1.94124 -4.9634 31.8964 -4.9634 5.0819 GPRESSAVG: 2644800 -3.71095 -17.3533 31.9193 -12.0287 -1.71065 -5.23452 33.0841 -4.28842 4.9951 TIMING: 2644800 CPU: 8259.29, 0.00313006/step Wall: 8259.29, 0.00313006/step, 2.04775 hours remaining, 234.824219 MB of memory in use. ENERGY: 2644800 3996.2694 20514.4955 14584.7503 255.4646 -203492.0403 3133.4569 0.0000 0.0000 52301.4023 -108706.2013 300.5769 -161007.6036 -108345.7865 300.0678 134.7188 175.3306 762024.5985 -0.2939 -0.1422 PRESSURE: 2645000 -11.171 3.38354 -40.2791 3.38278 97.0369 106.91 -40.2789 106.91 62.8311 GPRESSURE: 2645000 35.2703 89.0032 -160.509 27.1391 93.7205 75.5884 -141.341 163.425 97.2791 PRESSAVG: 2645000 36.0658 11.4981 -29.9445 11.4981 -8.05885 -5.13153 -29.9444 -5.13159 25.1542 GPRESSAVG: 2645000 36.7816 11.5104 -31.4108 10.8838 -8.30013 -5.83529 -30.9107 -6.68105 23.7167 TIMING: 2645000 CPU: 8259.91, 0.00310527/step Wall: 8259.91, 0.00310527/step, 2.03137 hours remaining, 234.824219 MB of memory in use. ENERGY: 2645000 3949.3385 20556.6918 14509.5419 263.5176 -202972.4822 2856.1311 0.0000 0.0000 52161.5003 -108675.7610 299.7729 -160837.2614 -108312.7333 300.2323 49.5657 75.4233 764408.2477 17.7204 17.3994 PRESSURE: 2645200 69.9935 -65.4146 18.1529 -65.4153 -369.081 9.8509 18.1531 9.85123 -170.251 GPRESSURE: 2645200 146.711 36.5279 -18.5669 -45.569 -320.336 42.0699 192.409 -9.4587 -211.444 PRESSAVG: 2645200 46.4868 27.506 21.5245 27.506 -60.508 5.76545 21.5245 5.76542 -16.5425 GPRESSAVG: 2645200 44.9868 29.1757 22.8076 26.7766 -60.5181 3.75906 22.3958 9.03387 -15.1016 TIMING: 2645200 CPU: 8260.53, 0.00309524/step Wall: 8260.53, 0.00309523/step, 2.02463 hours remaining, 234.824219 MB of memory in use. ENERGY: 2645200 4078.5189 20640.1238 14510.7111 254.7299 -202909.1516 2620.2759 0.0000 0.0000 52217.4693 -108587.3228 300.0945 -160804.7921 -108235.0892 300.5424 -156.4464 -128.3567 763586.1463 -10.1879 -10.2110 PRESSURE: 2645400 -116.419 224.859 -148.968 224.859 -90.3677 -68.819 -148.969 -68.8184 317.587 GPRESSURE: 2645400 -140.025 157.239 -118.984 198.222 2.61916 -47.517 1.93114 17.4346 337.114 PRESSAVG: 2645400 31.7198 4.02488 48.2001 4.0249 20.6436 -36.3619 48.2 -36.3619 6.12756 GPRESSAVG: 2645400 31.9371 3.08584 49.8498 5.52162 20.7305 -35.3767 45.6417 -36.8973 5.20371 TIMING: 2645400 CPU: 8261.15, 0.00307864/step Wall: 8261.15, 0.00307864/step, 2.0136 hours remaining, 234.824219 MB of memory in use. ENERGY: 2645400 4030.6790 20614.9187 14525.4099 221.8969 -202838.5849 2481.4372 0.0000 0.0000 52269.8286 -108694.4147 300.3954 -160964.2432 -108332.2451 300.8342 36.9336 66.5695 762551.2280 19.4970 19.2904 PRESSURE: 2645600 6.58002 -64.5337 -111.833 -64.5332 -215.515 -274.853 -111.834 -274.853 367.377 GPRESSURE: 2645600 81.9186 -8.28026 -115.734 -47.2663 -104.909 -203.082 -92.8495 -373.791 275.248 PRESSAVG: 2645600 -12.4519 58.7182 -16.5503 58.7182 12.3921 -13.4388 -16.5503 -13.4388 15.0209 GPRESSAVG: 2645600 -11.978 60.1682 -18.9829 56.6969 10.8289 -13.7072 -15.801 -13.6019 15.9954 TIMING: 2645600 CPU: 8261.77, 0.00310244/step Wall: 8261.77, 0.00310244/step, 2.02899 hours remaining, 234.824219 MB of memory in use. ENERGY: 2645600 3945.0357 20697.8023 14513.2235 243.7931 -202461.7662 2383.9001 0.0000 0.0000 52175.7117 -108502.2998 299.8545 -160678.0116 -108134.9313 300.7922 52.8141 84.0859 762718.7359 4.9870 4.9488 PRESSURE: 2645800 -217.571 103.508 230.592 103.509 116.585 -13.9874 230.591 -13.9875 -84.4404 GPRESSURE: 2645800 -211.133 179.513 243.102 141.592 256.111 -63.1281 117.112 -88.065 -106.694 PRESSAVG: 2645800 2.02578 41.8975 13.2861 41.8975 24.2609 9.65143 13.2861 9.65142 0.453976 GPRESSAVG: 2645800 2.04785 42.0948 12.7171 46.1386 25.1809 8.50339 13.038 8.49417 -0.427552 TIMING: 2645800 CPU: 8262.39, 0.00310023/step Wall: 8262.39, 0.00310023/step, 2.02738 hours remaining, 234.824219 MB of memory in use. ENERGY: 2645800 4011.1573 20531.7206 14543.9441 251.7247 -202797.3430 2623.2758 0.0000 0.0000 52385.2396 -108450.2809 301.0587 -160835.5205 -108085.9178 300.7603 -61.8086 -20.5718 762490.2503 8.9136 8.9337 PRESSURE: 2646000 17.7495 249.297 -28.7678 249.297 241.292 148.023 -28.7688 148.023 536.336 GPRESSURE: 2646000 155.48 118.923 -150.431 348.106 194.782 217.797 20.8547 124.372 534.302 PRESSAVG: 2646000 43.1445 22.838 -22.6998 22.8381 -76.564 -5.17626 -22.7 -5.17626 -7.42206 GPRESSAVG: 2646000 42.4885 22.3623 -21.444 18.7208 -75.7984 -2.39591 -20.7978 -5.51381 -7.17012 TIMING: 2646000 CPU: 8263, 0.0030881/step Wall: 8263, 0.0030881/step, 2.01928 hours remaining, 234.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2646000 3982.8123 20658.5485 14512.9007 252.8682 -203060.4202 2915.8334 0.0000 0.0000 52285.3696 -108452.0875 300.4847 -160737.4571 -108094.3898 300.5692 265.1258 294.8546 763231.4138 -13.6139 -13.4933 PRESSURE: 2646200 206.928 199.469 -50.1787 199.469 35.0584 205.963 -50.179 205.964 -103.544 GPRESSURE: 2646200 292.106 178.435 -50.4464 119.961 13.2008 116.822 38.9414 309.461 -92.9373 PRESSAVG: 2646200 -17.887 27.4869 -2.824 27.4869 8.94327 12.279 -2.82396 12.279 19.3308 GPRESSAVG: 2646200 -17.6373 27.3112 -4.77569 26.7371 8.36557 9.56264 -3.90117 16.3735 19.445 TIMING: 2646200 CPU: 8263.63, 0.00311942/step Wall: 8263.63, 0.00311942/step, 2.03958 hours remaining, 234.824219 MB of memory in use. ENERGY: 2646200 3972.9930 20631.2230 14449.6479 259.3270 -203106.7380 2877.6642 0.0000 0.0000 52431.3273 -108484.5557 301.3236 -160915.8830 -108121.7417 300.1924 46.1474 70.7899 762287.3056 3.4624 3.3911 PRESSURE: 2646400 -57.6656 -101.194 40.2217 -101.195 -239.749 120.567 40.2213 120.568 127.083 GPRESSURE: 2646400 -25.7397 3.53715 -51.4206 -21.0093 -205.936 36.1484 -180.242 -11.6978 145.005 PRESSAVG: 2646400 0.154403 -35.0831 -52.3735 -35.0831 -27.0938 2.37141 -52.3736 2.37135 11.383 GPRESSAVG: 2646400 0.536808 -34.5063 -50.77 -33.0918 -28.5014 4.65722 -53.4409 -2.12122 11.9885 TIMING: 2646400 CPU: 8264.25, 0.00310128/step Wall: 8264.25, 0.00310128/step, 2.02755 hours remaining, 234.824219 MB of memory in use. ENERGY: 2646400 4085.4535 20517.1378 14534.1074 230.3910 -203238.8604 2884.7698 0.0000 0.0000 52447.2410 -108539.7598 301.4150 -160987.0008 -108172.1938 301.0350 -56.7772 -28.8902 762535.5679 -5.1855 -5.3254 PRESSURE: 2646600 -131.301 -5.29181 82.9686 -5.29174 -211.982 -233.351 82.9687 -233.351 51.9506 GPRESSURE: 2646600 -52.8937 -77.7381 109.754 -2.57284 -188.39 -235.564 45.8963 -241.21 20.1428 PRESSAVG: 2646600 -5.32512 -16.8569 30.209 -16.8569 -15.073 3.25618 30.209 3.25611 11.0864 GPRESSAVG: 2646600 -4.54157 -18.009 29.0936 -16.6657 -14.0421 3.5878 31.3409 4.75538 9.8535 TIMING: 2646600 CPU: 8264.87, 0.00309337/step Wall: 8264.87, 0.00309337/step, 2.02221 hours remaining, 234.824219 MB of memory in use. ENERGY: 2646600 3993.1462 20557.7525 14495.5059 265.4915 -202873.1381 2454.9526 0.0000 0.0000 52539.8074 -108566.4819 301.9470 -161106.2893 -108210.9567 300.7776 -97.1107 -73.7136 762814.4024 -3.1039 -2.9101 PRESSURE: 2646800 164.847 235.417 -88.8721 235.416 263.586 -49.1357 -88.8725 -49.1352 243.453 GPRESSURE: 2646800 146.987 254.71 -128.07 248.801 274.753 -22.3258 -57.3429 47.394 337.529 PRESSAVG: 2646800 -45.4667 -11.1675 16.5071 -11.1675 11.1717 3.7967 16.5071 3.7967 -49.7299 GPRESSAVG: 2646800 -46.423 -8.31751 18.0306 -14.1493 11.0488 1.09697 14.8352 4.03565 -48.8382 TIMING: 2646800 CPU: 8265.49, 0.00309439/step Wall: 8265.49, 0.00309439/step, 2.0227 hours remaining, 234.824219 MB of memory in use. ENERGY: 2646800 4013.1244 20579.4126 14470.6716 233.5321 -203395.8308 3225.8205 0.0000 0.0000 52228.1987 -108645.0711 300.1562 -160873.2697 -108270.3216 300.9346 223.9621 253.0896 763014.0928 -28.0083 -28.0708 PRESSURE: 2647000 516.628 -72.3514 -185.327 -72.3516 239.199 137.693 -185.328 137.693 27.6741 GPRESSURE: 2647000 457.136 -80.3315 -254.762 -182 333.593 92.1622 -173.437 88.7935 61.5446 PRESSAVG: 2647000 6.96769 -7.71112 45.4809 -7.7111 -24.814 -1.36747 45.4809 -1.36743 -5.72569 GPRESSAVG: 2647000 6.07528 -9.91489 45.5597 -6.66683 -24.2775 1.84936 46.5263 -3.20611 -5.76582 TIMING: 2647000 CPU: 8266.11, 0.00309477/step Wall: 8266.11, 0.00309477/step, 2.02278 hours remaining, 234.824219 MB of memory in use. ENERGY: 2647000 4013.0614 20514.0642 14483.7841 223.7108 -202923.5307 2841.3760 0.0000 0.0000 52274.7588 -108572.7753 300.4238 -160847.5341 -108203.6183 300.3295 261.1672 284.0912 761940.1814 -7.8573 -7.9894 PRESSURE: 2647200 -291.54 -230.889 -99.1325 -230.888 103.24 -58.1347 -99.1326 -58.1351 326.893 GPRESSURE: 2647200 -247.149 -285.984 -58.0454 -239.786 111.507 9.03971 -157.769 -117.634 332.87 PRESSAVG: 2647200 -12.7575 -14.0686 -10.4586 -14.0687 9.34265 -14.0214 -10.4585 -14.0214 -4.62271 GPRESSAVG: 2647200 -12.6474 -13.9322 -11.2621 -13.2872 10.2621 -16.5849 -8.37338 -12.636 -5.45026 TIMING: 2647200 CPU: 8266.72, 0.00308667/step Wall: 8266.72, 0.00308667/step, 2.01731 hours remaining, 234.824219 MB of memory in use. ENERGY: 2647200 3953.7445 20666.2509 14497.6482 238.5549 -203229.9160 3011.9928 0.0000 0.0000 52181.7908 -108679.9339 299.8895 -160861.7247 -108304.6694 299.9148 46.1976 65.7430 763742.7432 -2.6792 -2.6119 PRESSURE: 2647400 272.33 273.577 126.459 273.577 34.3846 -125.092 126.46 -125.092 -67.055 GPRESSURE: 2647400 274.843 179.235 137.841 169.634 129.177 -88.4802 90.4569 -45.4176 -70.0058 PRESSAVG: 2647400 -11.1894 21.4612 0.389814 21.4612 -0.0699923 -15.5635 0.38976 -15.5635 9.32697 GPRESSAVG: 2647400 -10.0527 20.583 2.55995 21.2353 -0.62516 -13.6175 -1.60081 -15.4593 8.73275 TIMING: 2647400 CPU: 8267.34, 0.00309529/step Wall: 8267.34, 0.00309529/step, 2.02277 hours remaining, 234.824219 MB of memory in use. ENERGY: 2647400 3950.3164 20601.0970 14434.7236 244.2927 -203479.7151 3135.2355 0.0000 0.0000 52309.6384 -108804.4116 300.6242 -161114.0499 -108438.6883 300.0895 79.8864 111.3380 763077.0930 -0.6441 -0.6484 PRESSURE: 2647600 195.811 11.9586 -75.0621 11.9589 128.938 -49.7624 -75.0614 -49.7611 143.644 GPRESSURE: 2647600 186.908 -122.888 -127.445 125.301 146.058 -79.3408 50.701 -119.352 203.49 PRESSAVG: 2647600 3.67479 -15.289 40.8305 -15.2891 0.58843 75.2835 40.8305 75.2834 15.6283 GPRESSAVG: 2647600 3.08364 -12.8748 39.9626 -15.041 0.922717 75.5599 40.225 74.5311 16.0436 TIMING: 2647600 CPU: 8267.96, 0.00310337/step Wall: 8267.96, 0.00310337/step, 2.02788 hours remaining, 234.824219 MB of memory in use. ENERGY: 2647600 4016.9103 20501.5389 14502.3679 248.7405 -202613.4215 2434.7043 0.0000 0.0000 51984.3681 -108924.7916 298.7549 -160909.1597 -108565.0529 300.3598 156.1312 178.8187 763311.8066 6.6305 6.6833 PRESSURE: 2647800 135.821 -187.443 -55.9051 -187.444 197.824 -101.599 -55.904 -101.597 109.266 GPRESSURE: 2647800 180.752 -99.2815 -82.9003 -207.658 236.247 21.6656 -62.6149 -120.931 110.35 PRESSAVG: 2647800 26.184 3.93109 -15.6487 3.93101 7.16956 15.8796 -15.6487 15.8796 -3.29247 GPRESSAVG: 2647800 25.072 3.66766 -15.9792 3.26533 7.0683 16.6415 -15.9772 15.3362 -2.13602 TIMING: 2647800 CPU: 8268.59, 0.00312514/step Wall: 8268.59, 0.00312514/step, 2.04193 hours remaining, 234.824219 MB of memory in use. ENERGY: 2647800 4027.1421 20474.5680 14500.6380 251.5458 -203527.7491 3088.6479 0.0000 0.0000 52278.9262 -108906.2811 300.4477 -161185.2073 -108537.2224 299.9189 147.6372 175.7831 762587.2655 10.0204 10.0014 PRESSURE: 2648000 410.787 -142.821 205.737 -142.821 392.396 180.482 205.737 180.482 201.712 GPRESSURE: 2648000 402.309 -85.6376 168.778 -154.319 475.863 182.526 -24.8777 217.826 195.496 PRESSAVG: 2648000 15.7767 -25.3181 21.7082 -25.3181 -10.2751 -26.7649 21.7083 -26.7649 0.183191 GPRESSAVG: 2648000 16.8719 -23.5942 20.7556 -26.488 -10.7917 -28.4761 21.7685 -24.1422 -0.476516 TIMING: 2648000 CPU: 8269.21, 0.00311602/step Wall: 8269.21, 0.00311602/step, 2.0358 hours remaining, 234.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2648000 4049.5327 20426.6357 14395.7143 244.9329 -203904.4963 3482.8472 0.0000 0.0000 52254.5695 -109050.2640 300.3077 -161304.8336 -108688.2919 299.7777 334.9648 357.8894 761580.6929 1.8949 1.8679 PRESSURE: 2648200 166.008 15.1015 142.343 15.102 55.7688 -132.158 142.344 -132.159 211.061 GPRESSURE: 2648200 252.258 36.4404 17.6825 -58.316 96.4747 -103.459 152.539 -59.4912 153.807 PRESSAVG: 2648200 -13.8185 8.84261 36.8084 8.84263 32.8077 -8.46867 36.8083 -8.46867 19.8435 GPRESSAVG: 2648200 -12.0292 7.91683 36.9934 9.17326 32.5103 -8.61009 36.8047 -8.31714 18.5798 TIMING: 2648200 CPU: 8269.83, 0.00310261/step Wall: 8269.83, 0.00310261/step, 2.02687 hours remaining, 234.824219 MB of memory in use. ENERGY: 2648200 3962.0968 20582.5474 14475.3592 253.5805 -202946.3879 2710.5359 0.0000 0.0000 52226.4515 -108735.8164 300.1461 -160962.2680 -108377.1033 299.6923 144.2791 167.5133 762670.2436 12.9442 13.0203 LDB: ============= START OF LOAD BALANCING ============== 8282.31 LDB: ============== END OF LOAD BALANCING =============== 8282.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8282.31 LDB: ============= START OF LOAD BALANCING ============== 8282.62 LDB: Largest compute 7069 load 0.033970 is 17.4% of average load 0.195217 LDB: Average compute 0.004404 is 2.3% of average load 0.195217 LDB: TIME 8282.62 LOAD: AVG 0.195217 MAX 0.213756 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 8282.63 LOAD: AVG 0.195217 MAX 0.213756 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.258 MB LDB: TIME 8282.63 LOAD: AVG 0.195217 MAX 0.213756 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.258 MB LDB: ============== END OF LOAD BALANCING =============== 8282.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8282.63 PRESSURE: 2648400 -41.9054 -61.8661 -68.4901 -61.8663 279.334 36.0146 -68.4909 36.0152 100.485 GPRESSURE: 2648400 101.044 -68.4751 -42.2485 19.1403 243.023 -3.18269 15.9113 122.635 69.556 PRESSAVG: 2648400 42.3253 13.961 -11.3 13.9609 -26.2041 13.9831 -11.3 13.9831 21.2252 GPRESSAVG: 2648400 40.9108 12.3168 -10.5952 16.2421 -25.5988 15.3779 -10.9478 9.4057 22.6407 TIMING: 2648400 CPU: 8270.47, 0.00317346/step Wall: 8270.47, 0.00317346/step, 2.07298 hours remaining, 235.082031 MB of memory in use. ENERGY: 2648400 3963.4062 20415.1701 14519.6641 245.6404 -203121.0307 2698.4248 0.0000 0.0000 52406.3197 -108872.4053 301.1798 -161278.7251 -108507.3587 299.6243 112.6377 137.8746 762563.9116 12.4488 12.6509 PRESSURE: 2648600 -218.043 125.534 8.89266 125.534 -187.526 34.035 8.89275 34.0351 148.916 GPRESSURE: 2648600 -234.267 122.766 -43.762 99.9152 -63.155 92.9625 -27.2881 105.864 120.21 PRESSAVG: 2648600 -6.98975 -7.6985 20.5829 -7.69852 5.88841 45.7888 20.5829 45.7888 12.5308 GPRESSAVG: 2648600 -7.10145 -8.30568 20.2974 -6.50381 5.88485 44.8346 19.9052 49.1218 12.6767 TIMING: 2648600 CPU: 8271.09, 0.00311992/step Wall: 8271.09, 0.00311992/step, 2.03783 hours remaining, 235.082031 MB of memory in use. ENERGY: 2648600 3939.9669 20504.8135 14475.7848 249.6580 -202777.7037 2625.4175 0.0000 0.0000 52045.1083 -108936.9548 299.1040 -160982.0630 -108566.4964 299.5867 -85.5509 -59.0708 763055.5016 3.8098 3.8200 PRESSURE: 2648800 311.893 88.1036 8.04893 88.1039 -26.8295 -216.909 8.04832 -216.91 169.546 GPRESSURE: 2648800 390.157 11.2632 29.2546 168.456 -64.6347 -191.897 42.9696 -229.666 204.013 PRESSAVG: 2648800 58.1402 -14.6145 -22.8146 -14.6145 -19.2995 -22.3732 -22.8146 -22.3731 -27.4673 GPRESSAVG: 2648800 57.2935 -15.1196 -24.0687 -14.7465 -18.8733 -23.5454 -20.6155 -20.8288 -27.107 TIMING: 2648800 CPU: 8271.71, 0.00311502/step Wall: 8271.71, 0.00311502/step, 2.03445 hours remaining, 235.082031 MB of memory in use. ENERGY: 2648800 3959.3916 20534.2518 14428.2807 248.5777 -203376.9712 2897.1804 0.0000 0.0000 52273.3048 -109035.9842 300.4154 -161309.2890 -108683.3111 300.3228 151.5364 176.5116 762507.3426 3.7911 3.7711 PRESSURE: 2649000 -248.926 281.527 62.1548 281.528 112.613 146.776 62.1551 146.777 -373.304 GPRESSURE: 2649000 -290.478 227.676 75.4751 227.805 157.009 49.9356 -45.8644 -30.7447 -278.264 PRESSAVG: 2649000 33.4725 12.4025 -10.2152 12.4025 38.6847 -13.7137 -10.2153 -13.7136 9.49863 GPRESSAVG: 2649000 34.4715 14.8391 -10.5279 8.39817 35.8471 -12.7935 -13.8709 -16.7588 11.1663 TIMING: 2649000 CPU: 8272.33, 0.00310707/step Wall: 8272.33, 0.00310706/step, 2.02909 hours remaining, 235.082031 MB of memory in use. ENERGY: 2649000 3942.6019 20334.4311 14332.0886 256.9513 -202929.4782 2643.9898 0.0000 0.0000 52130.4968 -109288.9187 299.5947 -161419.4155 -108926.1491 299.1982 -169.8725 -137.2444 764496.6203 27.2186 27.1616 PRESSURE: 2649200 -206.606 234.55 266.076 234.551 -397.262 115.304 266.075 115.302 -843.025 GPRESSURE: 2649200 -231.414 207.658 323.812 229.966 -406.116 154.808 322.42 130.871 -724.808 PRESSAVG: 2649200 2.95708 7.02176 24.7906 7.0218 26.5709 -3.44854 24.7906 -3.44846 -17.4774 GPRESSAVG: 2649200 2.04856 5.81689 25.8992 9.6208 28.8948 -3.44673 28.0558 -2.18884 -18.2753 TIMING: 2649200 CPU: 8272.96, 0.00312044/step Wall: 8272.96, 0.00312044/step, 2.03765 hours remaining, 235.082031 MB of memory in use. ENERGY: 2649200 4063.4463 20388.0971 14444.3336 282.2044 -203336.3101 2538.2974 0.0000 0.0000 52378.6573 -109241.2740 301.0209 -161619.9313 -108877.1423 299.0100 -482.2977 -454.1132 762618.2392 4.0169 4.2227 PRESSURE: 2649400 -31.5617 -199.273 118.292 -199.273 173.579 -155.984 118.293 -155.984 -37.3274 GPRESSURE: 2649400 34.3476 -53.913 113.939 -123.078 178.149 -179.239 59.51 -195.86 -26.1216 PRESSAVG: 2649400 -13.7041 3.58621 12.6391 3.58614 14.6438 -19.5521 12.6391 -19.5522 -1.34733 GPRESSAVG: 2649400 -12.6815 3.34524 12.5916 2.88458 14.3493 -19.0444 9.1136 -19.3473 -1.67345 TIMING: 2649400 CPU: 8273.58, 0.00310251/step Wall: 8273.58, 0.00310251/step, 2.02577 hours remaining, 235.082031 MB of memory in use. ENERGY: 2649400 3987.2636 20526.7234 14554.0427 256.1091 -202978.8621 2679.9864 0.0000 0.0000 52028.6452 -108946.0916 299.0093 -160974.7368 -108590.7657 299.3017 34.8965 62.1249 761745.3138 -0.1359 -0.0019 PRESSURE: 2649600 -102.056 -25.621 150.888 -25.6199 255.424 -66.2457 150.888 -66.2453 115.578 GPRESSURE: 2649600 11.3258 83.9605 111.944 -41.3265 177.048 -89.1485 102.016 -46.1377 163.084 PRESSAVG: 2649600 -46.8031 22.4272 16.5073 22.4272 33.6382 -66.1664 16.5073 -66.1664 4.27268 GPRESSAVG: 2649600 -46.6006 22.0257 14.92 24.0728 33.4626 -65.7721 17.0933 -65.0851 4.68915 TIMING: 2649600 CPU: 8274.2, 0.00311959/step Wall: 8274.2, 0.00311959/step, 2.03674 hours remaining, 235.082031 MB of memory in use. ENERGY: 2649600 3945.1692 20454.8293 14492.8980 252.0311 -203307.4026 2847.2045 0.0000 0.0000 52172.3365 -109142.9340 299.8351 -161315.2705 -108782.5555 299.4241 89.6491 117.1526 762206.6310 -2.9641 -2.8163 PRESSURE: 2649800 208.975 144.094 -267.239 144.094 165.249 262.725 -267.239 262.725 -105.16 GPRESSURE: 2649800 231.709 58.2269 -198.768 151.459 109.582 301.059 -130.29 159.11 16.4377 PRESSAVG: 2649800 -25.8525 54.7665 -27.57 54.7664 -12.4591 -3.56008 -27.57 -3.5601 12.9955 GPRESSAVG: 2649800 -25.6355 54.6864 -26.7944 54.259 -12.028 -2.37577 -24.5221 -6.978 11.8206 TIMING: 2649800 CPU: 8274.82, 0.00310873/step Wall: 8274.82, 0.00310873/step, 2.02948 hours remaining, 235.082031 MB of memory in use. ENERGY: 2649800 3971.3276 20406.1259 14553.0382 233.7688 -203337.2810 2956.7488 0.0000 0.0000 52092.8191 -109123.4524 299.3781 -161216.2716 -108759.3249 299.3290 89.6882 119.2428 761813.3876 -8.4387 -8.6143 PRESSURE: 2650000 -324.794 93.3121 146.334 93.3117 2.96774 -119.608 146.334 -119.608 -337.632 GPRESSURE: 2650000 -264.279 150.955 196.739 78.3725 43.4593 -48.1593 43.0595 3.49499 -332.007 PRESSAVG: 2650000 -4.75035 42.978 33.4634 42.978 61.853 -22.4171 33.4633 -22.4172 0.111452 GPRESSAVG: 2650000 -3.86454 44.1408 33.1622 42.1357 61.138 -23.3372 33.7412 -20.5739 -0.0414904 TIMING: 2650000 CPU: 8275.45, 0.00311524/step Wall: 8275.45, 0.00311524/step, 2.03356 hours remaining, 235.082031 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: 2650000 4025.1489 20488.5786 14458.2958 243.8357 -203047.7166 2581.4384 0.0000 0.0000 52199.5535 -109050.8657 299.9916 -161250.4192 -108692.7101 299.4345 -219.8195 -184.2754 763314.4211 19.0714 19.0773 PRESSURE: 2650200 -133.734 -100.614 148.682 -100.613 169.832 -152.412 148.681 -152.411 -88.8633 GPRESSURE: 2650200 -77.3142 -70.8811 70.9272 -93.5479 100.931 -202.794 2.36705 -92.4857 13.4202 PRESSAVG: 2650200 -16.3556 68.8094 26.5128 68.8094 19.8864 20.4395 26.5127 20.4394 -4.62791 GPRESSAVG: 2650200 -17.4606 68.9717 27.7781 70.0353 20.731 21.2759 23.3308 18.9318 -4.39317 TIMING: 2650200 CPU: 8276.07, 0.0031049/step Wall: 8276.07, 0.0031049/step, 2.02664 hours remaining, 235.082031 MB of memory in use. ENERGY: 2650200 4014.9922 20604.8429 14480.5237 246.4433 -202855.1758 2589.3815 0.0000 0.0000 51994.1060 -108924.8861 298.8108 -160918.9921 -108569.4188 299.9402 -17.5885 12.3456 763725.3318 -0.3657 -0.3743 PRESSURE: 2650400 -207.551 39.2494 -150.167 39.2493 -199.94 67.6092 -150.166 67.6098 -12.2379 GPRESSURE: 2650400 -132.4 33.1638 -58.7571 -118.273 -182.112 60.0104 -146.739 163.624 -41.7544 PRESSAVG: 2650400 -3.86594 20.9306 21.1061 20.9306 -4.17057 -4.47068 21.1062 -4.4706 18.7627 GPRESSAVG: 2650400 -1.4617 20.5234 20.661 17.6125 -5.39855 -4.38656 22.3517 -2.6059 18.2571 TIMING: 2650400 CPU: 8276.69, 0.00311453/step Wall: 8276.69, 0.00311453/step, 2.03275 hours remaining, 235.082031 MB of memory in use. ENERGY: 2650400 4071.2930 20495.1021 14493.8632 266.3128 -202851.0489 2392.9435 0.0000 0.0000 52152.0965 -108979.4377 299.7188 -161131.5342 -108610.5603 299.6088 -139.9096 -118.7554 763211.5263 3.5754 3.7989 PRESSURE: 2650600 93.7374 -27.9525 101.062 -27.9524 -371.038 -12.0754 101.062 -12.075 -92.7599 GPRESSURE: 2650600 170.894 -90.5365 63.3691 -21.7244 -371.572 -30.6077 63.549 -20.3278 -65.2808 PRESSAVG: 2650600 -46.8413 66.0846 -7.35163 66.0847 10.4626 -2.59096 -7.35159 -2.59103 17.2626 GPRESSAVG: 2650600 -47.517 65.3403 -5.7591 66.9704 10.5291 -4.74398 -8.97547 -2.19192 17.8499 TIMING: 2650600 CPU: 8277.32, 0.00312118/step Wall: 8277.32, 0.00312118/step, 2.03692 hours remaining, 235.082031 MB of memory in use. ENERGY: 2650600 3995.4937 20266.6594 14539.1972 258.7019 -202652.9451 2372.7847 0.0000 0.0000 52044.5082 -109175.6001 299.1005 -161220.1082 -108802.8667 298.9757 -123.3535 -88.6529 763458.5690 -6.3720 -6.3793 PRESSURE: 2650800 -72.4672 -225.479 47.2506 -225.479 -180.862 65.3325 47.2509 65.3319 -197.653 GPRESSURE: 2650800 -83.8255 -151.445 12.3063 -207.05 -33.0777 76.9145 79.8549 79.3302 -243.326 PRESSAVG: 2650800 -15.0559 -6.84947 24.1833 -6.84943 10.6702 2.0149 24.1834 2.01492 8.1706 GPRESSAVG: 2650800 -15.2718 -4.83607 23.217 -7.29118 10.8939 1.99666 25.7236 2.39487 8.01767 TIMING: 2650800 CPU: 8277.94, 0.00312188/step Wall: 8277.94, 0.00312188/step, 2.0372 hours remaining, 235.082031 MB of memory in use. ENERGY: 2650800 3963.1452 20359.3557 14465.5115 241.0438 -202899.0249 2452.7335 0.0000 0.0000 52195.2278 -109222.0075 299.9667 -161417.2352 -108849.1021 298.9765 -150.3272 -120.0763 763759.7137 1.2617 1.2133 PRESSURE: 2651000 -69.3538 -144.905 168.904 -144.905 -5.00613 -273.45 168.903 -273.45 -282.795 GPRESSURE: 2651000 0.195981 25.2792 75.2604 -78.7557 -45.1881 -332.959 92.9857 -207.543 -224.236 PRESSAVG: 2651000 -24.9693 -12.482 29.3108 -12.4821 76.2191 -74.2471 29.3108 -74.2472 7.67803 GPRESSAVG: 2651000 -26.4207 -10.7786 30.2035 -11.2887 77.0486 -72.788 29.4195 -76.9965 8.09257 TIMING: 2651000 CPU: 8278.56, 0.00311967/step Wall: 8278.56, 0.00311967/step, 2.03559 hours remaining, 235.082031 MB of memory in use. ENERGY: 2651000 3971.0316 20458.0456 14503.4188 256.0952 -203274.9655 2786.2537 0.0000 0.0000 51951.6814 -109348.4393 298.5670 -161300.1207 -108984.0592 298.1920 -119.0517 -89.7427 762520.3334 19.6426 19.5735 PRESSURE: 2651200 289.872 178.933 -147.107 178.934 -156.773 -84.426 -147.107 -84.4259 -92.391 GPRESSURE: 2651200 337.99 30.5379 -230.623 228.939 -43.6664 -109.229 -78.8396 -65.536 -174.573 PRESSAVG: 2651200 6.25371 -0.366742 24.4334 -0.36678 3.61413 21.4723 24.4333 21.4724 4.14997 GPRESSAVG: 2651200 7.12586 -3.41257 22.3872 0.221725 2.27014 20.472 24.7122 21.1758 4.57434 TIMING: 2651200 CPU: 8279.19, 0.00311233/step Wall: 8279.19, 0.00311233/step, 2.03062 hours remaining, 235.082031 MB of memory in use. ENERGY: 2651200 4016.7947 20531.5143 14443.9602 272.9208 -203214.5561 2775.1266 0.0000 0.0000 51928.3330 -109245.9065 298.4328 -161174.2395 -108884.3364 298.7511 13.5694 39.9168 762336.2845 4.6726 4.6568 PRESSURE: 2651400 -98.0886 -1.56643 -154.801 -1.56586 -177.307 -127.483 -154.8 -127.482 12.8981 GPRESSURE: 2651400 36.7427 42.1526 -29.0731 -27.9771 -238.093 -106.232 -89.6195 -226.617 7.71611 PRESSAVG: 2651400 12.1348 23.4506 45.5444 23.4506 20.8934 -92.6218 45.5445 -92.6219 5.32963 GPRESSAVG: 2651400 11.9916 23.4864 46.9748 22.7784 21.6074 -91.1822 45.2131 -92.1712 5.05191 TIMING: 2651400 CPU: 8279.81, 0.00310996/step Wall: 8279.81, 0.00310996/step, 2.0289 hours remaining, 235.082031 MB of memory in use. ENERGY: 2651400 3955.7357 20522.3881 14404.1179 257.8548 -202850.8447 2467.4559 0.0000 0.0000 51733.4711 -109509.8211 297.3130 -161243.2922 -109142.7290 298.7133 -87.4991 -64.5447 760858.2524 12.7859 12.8837 PRESSURE: 2651600 -212.764 186.275 -79.0503 186.275 12.3965 231.616 -79.0497 231.618 -99.1255 GPRESSURE: 2651600 -141.572 101.766 -140.612 198.911 18.393 233.234 -117.694 130.504 -96.5004 PRESSAVG: 2651600 8.44159 57.3089 84.5022 57.309 -22.1222 13.6493 84.5022 13.6492 -19.0247 GPRESSAVG: 2651600 8.29826 57.7552 84.1247 57.7887 -21.9897 12.2196 83.548 14.9314 -19.1435 TIMING: 2651600 CPU: 8280.43, 0.00311687/step Wall: 8280.43, 0.00311688/step, 2.03324 hours remaining, 235.082031 MB of memory in use. ENERGY: 2651600 3973.7488 20333.9674 14391.6863 253.1181 -203156.8053 2672.3925 0.0000 0.0000 52094.7197 -109437.1724 299.3891 -161531.8922 -109071.6922 298.5229 -99.8311 -73.2265 762166.2094 -10.9018 -10.9450 PRESSURE: 2651800 -44.4652 92.059 -62.1304 92.0588 -228.057 -117.314 -62.1311 -117.313 -35.0084 GPRESSURE: 2651800 -100.468 80.2475 2.29461 86.3094 -149.417 -96.8668 -75.754 -80.8575 10.2881 PRESSAVG: 2651800 -40.6417 32.6201 45.0641 32.62 43.3343 -11.5222 45.064 -11.5221 -5.02531 GPRESSAVG: 2651800 -40.0701 31.7258 45.3178 31.955 42.0757 -11.4741 46.9943 -11.2339 -4.29467 TIMING: 2651800 CPU: 8281.05, 0.0031135/step Wall: 8281.05, 0.0031135/step, 2.03087 hours remaining, 235.082031 MB of memory in use. ENERGY: 2651800 4010.4357 20460.9479 14442.2380 257.8008 -203101.1426 2728.8457 0.0000 0.0000 51901.2543 -109299.6203 298.2772 -161200.8745 -108946.7224 298.4811 -102.5101 -79.8656 763329.3013 -0.7775 -0.7630 PRESSURE: 2652000 98.267 -188.224 271.283 -188.223 56.271 -39.0124 271.282 -39.0124 333.515 GPRESSURE: 2652000 81.0253 -186.08 269.787 -197.598 273.02 -101.561 115.209 -74.066 239.028 PRESSAVG: 2652000 -18.218 -20.6416 17.0841 -20.6416 0.384226 16.204 17.084 16.204 2.03119 GPRESSAVG: 2652000 -18.854 -17.3007 16.1197 -20.7171 3.14721 17.2763 16.7167 14.4272 0.705296 TIMING: 2652000 CPU: 8281.68, 0.00311715/step Wall: 8281.68, 0.00311715/step, 2.03308 hours remaining, 235.082031 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: 2652000 3974.1955 20351.4155 14425.5345 228.8791 -203121.2526 2743.8453 0.0000 0.0000 52028.0867 -109369.2960 299.0061 -161397.3827 -109001.8977 298.5700 162.6842 197.6911 764630.0176 -5.2675 -5.0005 PRESSURE: 2652200 80.1681 -250.301 108.687 -250.3 257.32 -32.9817 108.686 -32.9821 -66.048 GPRESSURE: 2652200 105.144 -341.101 104.067 -117.837 261.425 -61.8302 99.0327 -20.0125 -21.8506 PRESSAVG: 2652200 -94.145 36.184 -1.14713 36.184 72.9316 -40.7071 -1.14706 -40.707 5.04928 GPRESSAVG: 2652200 -93.1578 34.6614 -0.791357 37.2567 71.6882 -42.4047 -2.1812 -37.0908 4.86207 TIMING: 2652200 CPU: 8282.3, 0.00311668/step Wall: 8282.3, 0.00311668/step, 2.0326 hours remaining, 235.082031 MB of memory in use. ENERGY: 2652200 3970.9853 20339.1294 14448.7168 228.2739 -202847.3406 2617.8419 0.0000 0.0000 52009.3049 -109233.0884 298.8982 -161242.3933 -108866.1865 298.8367 90.4800 114.9059 764894.6652 -5.3881 -5.5358 LDB: ============= START OF LOAD BALANCING ============== 8294.78 LDB: ============== END OF LOAD BALANCING =============== 8294.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8294.78 LDB: ============= START OF LOAD BALANCING ============== 8295.09 LDB: Largest compute 7064 load 0.031695 is 16.2% of average load 0.195193 LDB: Average compute 0.004400 is 2.3% of average load 0.195193 LDB: TIME 8295.09 LOAD: AVG 0.195193 MAX 0.217352 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 8295.1 LOAD: AVG 0.195193 MAX 0.217352 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: TIME 8295.1 LOAD: AVG 0.195193 MAX 0.217352 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: ============== END OF LOAD BALANCING =============== 8295.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8295.1 PRESSURE: 2652400 -127.639 -105.1 177.55 -105.1 94.7039 -54.6579 177.551 -54.6564 -206.57 GPRESSURE: 2652400 -166.913 -105.661 161.556 -51.1106 96.0351 68.4019 104.996 -97.3217 -81.9216 PRESSAVG: 2652400 -5.17983 31.1358 16.3399 31.1358 13.6955 -12.8388 16.3398 -12.8388 5.4118 GPRESSAVG: 2652400 -7.2902 30.9393 16.9514 31.3466 13.0212 -10.9805 16.2016 -15.165 8.18975 TIMING: 2652400 CPU: 8282.94, 0.00317877/step Wall: 8282.94, 0.00317877/step, 2.07291 hours remaining, 235.023438 MB of memory in use. ENERGY: 2652400 4001.1115 20616.9031 14426.5022 250.7843 -203106.7310 2718.9232 0.0000 0.0000 51722.9870 -109369.5200 297.2527 -161092.5069 -109017.8332 298.6650 -79.8351 -50.9331 762607.7872 4.6425 4.6402 PRESSURE: 2652600 21.8111 147.676 13.6969 147.677 67.588 74.5982 13.697 74.598 -752.23 GPRESSURE: 2652600 -45.764 87.1798 -36.7763 93.6201 117.1 21.2146 116.622 124.872 -656.709 PRESSAVG: 2652600 -6.72166 0.135263 39.5454 0.135302 4.01022 5.00759 39.5454 5.00758 4.39538 GPRESSAVG: 2652600 -5.77743 -1.58268 38.5032 -2.56016 4.85518 3.19599 39.2112 6.73695 3.09638 TIMING: 2652600 CPU: 8283.56, 0.00310665/step Wall: 8283.56, 0.00310665/step, 2.02571 hours remaining, 235.023438 MB of memory in use. ENERGY: 2652600 4057.6070 20500.1877 14478.0694 235.8376 -202922.9086 2812.2291 0.0000 0.0000 51918.9938 -108919.9841 298.3792 -160838.9779 -108575.3930 299.3602 -220.9436 -195.1242 763173.4220 0.5613 0.7247 PRESSURE: 2652800 -176.486 -90.5062 -69.5462 -90.5058 554.76 69.3013 -69.5466 69.302 234.646 GPRESSURE: 2652800 -86.1834 -26.4786 14.2515 -43.0489 559.716 115.906 -34.6667 66.4283 223.178 PRESSAVG: 2652800 -25.9833 7.05004 11.019 7.05007 29.2044 14.7182 11.019 14.7182 -6.01718 GPRESSAVG: 2652800 -24.555 8.76748 13.676 8.39701 27.3513 15.7904 12.7914 12.0746 -5.11434 TIMING: 2652800 CPU: 8284.19, 0.00313323/step Wall: 8284.19, 0.00313323/step, 2.04287 hours remaining, 235.023438 MB of memory in use. ENERGY: 2652800 3931.3959 20491.9017 14482.6605 261.1610 -203219.3485 3040.1159 0.0000 0.0000 52255.6601 -108756.4535 300.3140 -161012.1136 -108394.3325 299.9018 204.3064 232.2369 762143.7273 -0.9320 -0.7727 PRESSURE: 2653000 -367.302 -123.188 171.488 -123.188 7.8948 -215.427 171.489 -215.426 139.641 GPRESSURE: 2653000 -362.889 -13.1536 168.079 -108.426 47.8381 -115.794 109.204 -67.4306 175.524 PRESSAVG: 2653000 -18.9993 0.122444 67.4089 0.12242 0.131831 -35.4557 67.4089 -35.4556 2.6709 GPRESSAVG: 2653000 -19.3665 -0.578347 65.495 0.814452 1.93732 -35.796 67.1828 -33.5648 1.42716 TIMING: 2653000 CPU: 8284.81, 0.0031166/step Wall: 8284.81, 0.0031166/step, 2.03185 hours remaining, 235.023438 MB of memory in use. ENERGY: 2653000 3992.2285 20532.6497 14479.4350 243.9040 -203075.3951 2855.2341 0.0000 0.0000 52032.0428 -108939.9011 299.0289 -160971.9439 -108582.8137 299.6669 -73.2556 -46.5090 765002.4556 -5.3989 -5.3340 PRESSURE: 2653200 8.40495 7.39038 -252.323 7.39005 -240.593 -98.9455 -252.324 -98.9437 -84.5579 GPRESSURE: 2653200 17.8797 -120.484 -211.561 -12.1071 -207.53 -112.485 -215.633 -106.438 -29.9119 PRESSAVG: 2653200 1.60035 -15.7525 33.662 -15.7525 6.66603 37.4557 33.662 37.4557 -19.3339 GPRESSAVG: 2653200 0.761507 -16.465 35.0393 -15.3695 6.32278 38.8008 32.0307 38 -18.7203 TIMING: 2653200 CPU: 8285.43, 0.00312052/step Wall: 8285.43, 0.00312052/step, 2.03423 hours remaining, 235.023438 MB of memory in use. ENERGY: 2653200 4068.7710 20494.8677 14456.4408 259.3762 -203127.1140 2775.6766 0.0000 0.0000 51950.3949 -109121.5869 298.5596 -161071.9817 -108755.5575 298.7634 -105.5819 -73.1872 765737.1810 -3.6892 -3.8787 PRESSURE: 2653400 66.0116 -64.0757 82.8913 -64.0752 -29.4879 124.001 82.8917 124 317.455 GPRESSURE: 2653400 132.621 -55.7585 42.8187 -78.0737 -34.8671 127.626 -43.7759 172.531 375.456 PRESSAVG: 2653400 17.0991 2.18328 -13.0921 2.18334 -9.51435 -25.686 -13.0921 -25.6861 -2.97371 GPRESSAVG: 2653400 17.4744 1.90207 -13.9202 0.0399326 -9.14349 -27.0022 -11.4736 -26.173 -3.46286 TIMING: 2653400 CPU: 8286.05, 0.00310755/step Wall: 8286.05, 0.00310755/step, 2.0256 hours remaining, 235.023438 MB of memory in use. ENERGY: 2653400 3940.2906 20327.5077 14506.6959 236.2225 -203232.4782 2981.6729 0.0000 0.0000 52100.5311 -109139.5575 299.4225 -161240.0886 -108770.6258 298.8098 117.9928 157.7369 763273.1568 1.5370 1.6227 PRESSURE: 2653600 -123.615 -44.9048 -1.54274 -44.9048 -8.26671 -52.7423 -1.54221 -52.7408 209.929 GPRESSURE: 2653600 -47.7233 -50.2825 -23.3326 -88.5586 -62.6286 -119.198 85.2599 -157.739 261.444 PRESSAVG: 2653600 -16.0943 11.2408 5.93404 11.2409 10.0786 -50.5228 5.93407 -50.5227 -2.20123 GPRESSAVG: 2653600 -15.2407 12.7321 6.40499 13.5599 9.23377 -49.601 5.95993 -51.2089 -2.32837 TIMING: 2653600 CPU: 8286.67, 0.00310068/step Wall: 8286.67, 0.00310068/step, 2.02095 hours remaining, 235.023438 MB of memory in use. ENERGY: 2653600 3929.7365 20624.3060 14426.0799 257.3654 -202706.9165 2374.6753 0.0000 0.0000 52102.9209 -108991.8325 299.4362 -161094.7534 -108624.7414 298.8590 26.0160 50.3639 764643.2088 -2.7390 -2.7784 PRESSURE: 2653800 161.334 -144.681 205.458 -144.682 239.166 -137.983 205.458 -137.983 182.854 GPRESSURE: 2653800 212.047 -116.173 183.258 -143.838 234.889 -112.377 201.198 -111.477 230.092 PRESSAVG: 2653800 -21.7431 7.16005 30.2742 7.16002 13.602 -87.4621 30.2742 -87.462 -5.27248 GPRESSAVG: 2653800 -20.7318 7.62624 29.3893 4.67653 12.8564 -89.2353 31.0892 -87.2173 -5.4571 TIMING: 2653800 CPU: 8287.3, 0.00312135/step Wall: 8287.3, 0.00312135/step, 2.03425 hours remaining, 235.023438 MB of memory in use. ENERGY: 2653800 3970.6157 20523.9772 14468.1482 260.2747 -203314.7591 2848.8646 0.0000 0.0000 52149.8019 -109093.0769 299.7056 -161242.8788 -108738.0198 299.0883 194.4512 225.6763 764767.6950 -4.4712 -4.4442 PRESSURE: 2654000 47.9207 186.125 -193.615 186.125 -59.397 72.1896 -193.615 72.19 -160.324 GPRESSURE: 2654000 19.1657 268.243 -145.814 210.856 40.9938 27.6341 -97.7181 37.867 -159.703 PRESSAVG: 2654000 -42.0059 38.1856 2.13957 38.1856 36.7865 -27.5572 2.13956 -27.5572 12.8943 GPRESSAVG: 2654000 -41.4801 38.0563 4.53198 41.3579 36.9841 -26.0598 1.94158 -28.4276 12.455 TIMING: 2654000 CPU: 8287.92, 0.00310772/step Wall: 8287.92, 0.00310772/step, 2.0252 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2654000 3958.0936 20569.7422 14502.6950 258.0790 -203456.1188 2907.1970 0.0000 0.0000 51925.4894 -109334.8226 298.4165 -161260.3119 -108981.3675 299.0363 -57.2667 -33.1811 763555.7474 2.5583 2.6530 PRESSURE: 2654200 92.9709 -374.938 -119.604 -374.938 -251.807 -282.709 -119.605 -282.709 -732.938 GPRESSURE: 2654200 73.2246 -344.168 -126.989 -253.154 -214.429 -219.853 -93.7832 -309.309 -667.809 PRESSAVG: 2654200 0.826436 15.5117 -67.8592 15.5117 -28.7958 -38.6114 -67.8593 -38.6114 1.95942 GPRESSAVG: 2654200 -1.00117 13.8281 -70.1982 16.0627 -26.7444 -38.6253 -69.8774 -38.3372 1.66188 TIMING: 2654200 CPU: 8288.54, 0.00309977/step Wall: 8288.54, 0.00309977/step, 2.01985 hours remaining, 235.023438 MB of memory in use. ENERGY: 2654200 4000.6218 20545.0022 14476.7112 230.8983 -202758.8917 2572.0653 0.0000 0.0000 51909.0091 -109024.5838 298.3218 -160933.5929 -108664.1283 298.8789 -297.2582 -269.6709 765752.0588 -8.6700 -8.6946 PRESSURE: 2654400 -266.236 87.6625 8.71946 87.6617 -120.951 78.0157 8.71882 78.015 -39.8883 GPRESSURE: 2654400 -222.948 177.452 17.2216 -56.522 -47.9094 79.5939 153.029 26.8864 -75.3744 PRESSAVG: 2654400 -51.4393 -13.3868 -21.7758 -13.3867 20.8547 -25.2248 -21.7757 -25.2247 3.78434 GPRESSAVG: 2654400 -50.4299 -11.348 -22.1331 -15.7523 19.3488 -25.3479 -18.4664 -22.5606 4.18081 TIMING: 2654400 CPU: 8289.16, 0.0031176/step Wall: 8289.16, 0.0031176/step, 2.03129 hours remaining, 235.023438 MB of memory in use. ENERGY: 2654400 4019.4278 20474.0868 14485.1698 235.4999 -203036.7693 2606.1322 0.0000 0.0000 52152.3835 -109064.0693 299.7205 -161216.4528 -108704.8640 298.8833 -142.3584 -115.4105 765026.0303 -8.9334 -8.9668 PRESSURE: 2654600 -75.3379 269.07 18.6863 269.07 -133.673 39.0923 18.6868 39.0927 -26.3948 GPRESSURE: 2654600 -32.877 132.358 -18.946 170.372 -132.766 20.5846 -64.7284 77.6061 31.6307 PRESSAVG: 2654600 -7.38844 39.7872 2.59669 39.7871 -10.4404 29.1691 2.59667 29.1691 14.3556 GPRESSAVG: 2654600 -6.96619 39.2248 3.73748 40.7507 -11.6013 28.7075 2.12424 28.3978 15.434 TIMING: 2654600 CPU: 8289.78, 0.0031003/step Wall: 8289.78, 0.0031003/step, 2.01985 hours remaining, 235.023438 MB of memory in use. ENERGY: 2654600 3980.3813 20365.7277 14447.7971 254.3305 -203189.2899 2810.0763 0.0000 0.0000 52206.2907 -109124.6863 300.0303 -161330.9770 -108758.3416 299.4258 -78.4685 -44.6709 764390.7393 -1.1577 -1.0445 PRESSURE: 2654800 -197.267 123.182 118.04 123.182 -284.916 -107.669 118.04 -107.669 -136.344 GPRESSURE: 2654800 -108.541 106.077 71.5982 90.7995 -270.198 -158.393 192.648 -76.1569 -167.482 PRESSAVG: 2654800 -16.6371 6.30104 -20.1153 6.30102 38.2896 -37.7626 -20.1153 -37.7626 -8.67804 GPRESSAVG: 2654800 -17.9023 5.78123 -20.3377 6.35769 39.7743 -36.2785 -20.8159 -40.0665 -8.96969 TIMING: 2654800 CPU: 8290.4, 0.00309907/step Wall: 8290.4, 0.00309907/step, 2.01887 hours remaining, 235.023438 MB of memory in use. ENERGY: 2654800 4053.9233 20242.3088 14511.8240 244.8805 -202824.8111 2514.0646 0.0000 0.0000 52153.1822 -109104.6277 299.7251 -161257.8099 -108740.9891 299.0985 -206.1757 -182.0738 763497.6825 4.3248 4.3008 PRESSURE: 2655000 149.155 -38.9775 35.4432 -38.9772 76.217 -130.124 35.4427 -130.125 364.842 GPRESSURE: 2655000 181.728 27.7697 56.2881 -38.7799 96.0452 -131.036 18.8752 -35.0042 387.706 PRESSAVG: 2655000 6.67927 -6.17601 11.6158 -6.17605 -4.6045 22.5138 11.6157 22.5138 16.9687 GPRESSAVG: 2655000 8.33894 -7.19957 10.4034 -6.8424 -5.15398 21.485 12.8202 26.1795 15.6903 TIMING: 2655000 CPU: 8291.03, 0.00312003/step Wall: 8291.03, 0.00312003/step, 2.03235 hours remaining, 235.023438 MB of memory in use. ENERGY: 2655000 3978.4520 20476.3397 14442.4306 253.3914 -202914.0314 2621.2808 0.0000 0.0000 51892.3021 -109249.8347 298.2258 -161142.1368 -108890.7041 299.3050 196.7380 221.8263 763436.1585 6.3478 6.2917 PRESSURE: 2655200 178.96 265.969 -70.8943 265.969 -210.767 -70.9409 -70.8943 -70.9407 175.719 GPRESSURE: 2655200 213.852 264.428 -66.7094 181.965 -179.888 -100.713 -130.454 -275.732 213.075 PRESSAVG: 2655200 18.6875 49.2916 62.2474 49.2916 -38.2317 -33.354 62.2474 -33.3541 -1.29989 GPRESSAVG: 2655200 17.1848 50.2054 62.089 49.6437 -38.5905 -32.4713 60.7463 -37.9071 0.709987 TIMING: 2655200 CPU: 8291.65, 0.00311824/step Wall: 8291.65, 0.00311824/step, 2.03101 hours remaining, 235.023438 MB of memory in use. ENERGY: 2655200 3963.4511 20427.5633 14441.9757 259.1709 -202968.7260 2823.1817 0.0000 0.0000 51673.0557 -109380.3275 296.9658 -161053.3833 -109026.0420 298.4874 47.9705 82.3464 763517.3924 -6.9481 -6.8986 PRESSURE: 2655400 -182.248 -144.009 -212.872 -144.009 -465.244 -105.028 -212.873 -105.027 -271.095 GPRESSURE: 2655400 -208.616 -111.107 -192.372 -76.5472 -398.275 -23.6657 -95.4072 -70.9809 -239.601 PRESSAVG: 2655400 25.2481 2.76553 19.8006 2.76557 8.42269 -16.7782 19.8006 -16.778 6.98673 GPRESSAVG: 2655400 25.4807 3.49065 21.1717 2.66588 8.24699 -17.6103 20.4751 -14.5475 6.95933 TIMING: 2655400 CPU: 8292.27, 0.00310958/step Wall: 8292.27, 0.00310958/step, 2.0252 hours remaining, 235.023438 MB of memory in use. ENERGY: 2655400 3987.4081 20619.1070 14466.9075 239.7452 -202614.7617 2134.3197 0.0000 0.0000 51753.3769 -109413.8972 297.4274 -161167.2741 -109049.8019 298.5472 -306.1958 -282.1642 762696.5755 13.5525 13.5623 PRESSURE: 2655600 194.364 -109.342 -154.711 -109.342 39.3027 -30.6727 -154.71 -30.6744 15.3345 GPRESSURE: 2655600 182.217 23.7778 -136.52 -207.304 60.2094 -2.86679 -165.903 -40.0731 76.1246 PRESSAVG: 2655600 -15.5653 13.564 2.43 13.5641 29.167 0.748977 2.43 0.748982 -1.22552 GPRESSAVG: 2655600 -15.9658 11.5696 1.84182 14.0708 30.8486 0.460887 1.79236 0.924963 -2.22695 TIMING: 2655600 CPU: 8292.89, 0.00310379/step Wall: 8292.89, 0.00310379/step, 2.02126 hours remaining, 235.023438 MB of memory in use. ENERGY: 2655600 3927.4670 20504.3559 14414.7684 238.7453 -203131.0549 2670.8332 0.0000 0.0000 52102.0670 -109272.8181 299.4313 -161374.8851 -108907.9322 299.1048 83.0005 106.1836 761654.6890 4.1254 4.2186 PRESSURE: 2655800 -82.3107 -135.674 102.59 -135.674 13.5599 159.708 102.59 159.709 -10.7668 GPRESSURE: 2655800 -33.3055 -88.0755 319.913 -113.685 62.6085 128.199 6.62212 191.629 -22.6042 PRESSAVG: 2655800 27.7143 36.931 38.096 36.931 -5.53113 -20.6524 38.096 -20.6525 7.6036 GPRESSAVG: 2655800 27.885 37.7572 39.7403 36.7304 -6.4557 -20.5657 38.3746 -19.7142 8.36696 TIMING: 2655800 CPU: 8293.51, 0.00309676/step Wall: 8293.51, 0.00309676/step, 2.0165 hours remaining, 235.023438 MB of memory in use. ENERGY: 2655800 4042.9496 20590.3868 14486.5215 258.9047 -203109.9464 2627.8563 0.0000 0.0000 51773.2501 -109330.0774 297.5416 -161103.3275 -108968.4922 299.1643 -26.5059 2.2329 761058.2907 9.9289 9.9321 PRESSURE: 2656000 -68.0015 58.1197 259.43 58.1184 64.6182 254.457 259.43 254.457 73.9066 GPRESSURE: 2656000 25.8026 -88.9073 311.707 -19.644 74.4404 236.923 215.319 150.945 42.0803 PRESSAVG: 2656000 26.0634 58.8782 18.0792 58.8783 -10.9243 9.22412 18.0792 9.2241 29.4131 GPRESSAVG: 2656000 27.4163 57.1144 16.2042 59.8043 -10.8717 10.8655 17.9786 8.42835 28.0995 TIMING: 2656000 CPU: 8294.14, 0.00311073/step Wall: 8294.14, 0.00311073/step, 2.02543 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2656000 3985.0986 20498.3535 14520.9602 251.9794 -203216.0913 2949.2627 0.0000 0.0000 51991.0363 -109019.4006 298.7932 -161010.4369 -108660.5847 299.1000 23.5078 47.4411 763128.8874 14.8507 14.8814 PRESSURE: 2656200 -189.052 90.1983 -87.3727 90.1979 161.312 83.0123 -87.3727 83.0127 -148.825 GPRESSURE: 2656200 -188.436 176.731 -107.827 76.9794 180.809 53.2957 -3.39775 76.077 -86.1302 PRESSAVG: 2656200 16.3099 27.6193 33.6598 27.6193 36.4767 0.878222 33.6598 0.87821 -14.4233 GPRESSAVG: 2656200 16.8947 31.1385 33.0175 25.9932 35.3803 0.478872 35.1244 -0.700942 -13.7283 TIMING: 2656200 CPU: 8294.76, 0.0031038/step Wall: 8294.76, 0.0031038/step, 2.02074 hours remaining, 235.023438 MB of memory in use. ENERGY: 2656200 3960.2255 20377.3293 14501.2248 234.8340 -202512.1080 2345.0076 0.0000 0.0000 52002.1143 -109091.3725 298.8569 -161093.4868 -108716.5308 299.0924 -58.8551 -31.2524 763349.1968 12.7878 12.8489 LDB: ============= START OF LOAD BALANCING ============== 8307.23 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8307.23 LDB: =============== DONE WITH MIGRATION ================ 8307.23 LDB: ============= START OF LOAD BALANCING ============== 8307.55 LDB: Largest compute 7069 load 0.031834 is 16.3% of average load 0.195197 LDB: Average compute 0.004405 is 2.3% of average load 0.195197 LDB: TIME 8307.55 LOAD: AVG 0.195197 MAX 0.219127 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.562 MB LDB: TIME 8307.55 LOAD: AVG 0.195197 MAX 0.219127 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.656 MB LDB: TIME 8307.55 LOAD: AVG 0.195197 MAX 0.215706 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.656 MB LDB: ============== END OF LOAD BALANCING =============== 8307.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8307.56 PRESSURE: 2656400 -82.3358 -51.2851 -47.7146 -51.2859 -76.2878 -292.605 -47.7144 -292.605 -190.801 GPRESSURE: 2656400 -122.641 -109.748 -72.3701 135.821 11.3103 -213.641 9.07672 -239.956 -174.605 PRESSAVG: 2656400 -40.6821 45.7215 53.7382 45.7215 60.3584 15.0705 53.7382 15.0706 -1.11524 GPRESSAVG: 2656400 -41.1527 44.5234 54.4962 46.6814 61.4703 13.4158 51.4213 18.0544 -0.941257 TIMING: 2656400 CPU: 8295.39, 0.00317965/step Wall: 8295.39, 0.00317965/step, 2.06995 hours remaining, 235.023438 MB of memory in use. ENERGY: 2656400 3981.6175 20692.0627 14478.5018 259.6925 -202747.6313 2330.8700 0.0000 0.0000 51738.2993 -109266.5874 297.3407 -161004.8867 -108905.3505 298.4159 -116.4749 -95.3121 763674.6195 6.1870 6.4588 PRESSURE: 2656600 -75.6419 32.8247 1.32574 32.8248 -141.106 -163.879 1.32632 -163.879 -266.731 GPRESSURE: 2656600 47.9876 128.529 -133.317 -35.0719 -176.961 -179.577 55.3642 -185.639 -289.763 PRESSAVG: 2656600 -5.76676 4.77319 79.3039 4.7732 26.7545 -13.0452 79.3039 -13.0452 2.73691 GPRESSAVG: 2656600 -6.41765 4.45801 77.755 3.15723 27.4264 -13.146 79.4521 -13.1114 2.0279 TIMING: 2656600 CPU: 8296.01, 0.00311152/step Wall: 8296.01, 0.00311152/step, 2.02543 hours remaining, 235.023438 MB of memory in use. ENERGY: 2656600 3975.5597 20483.2417 14476.6256 233.3288 -203148.6985 2676.3605 0.0000 0.0000 51956.1974 -109347.3848 298.5930 -161303.5822 -108980.1963 298.4295 -161.1597 -139.5788 763174.6804 7.9082 7.6789 PRESSURE: 2656800 90.6819 164.942 48.087 164.942 -215.859 -17.5838 48.086 -17.5834 -482.906 GPRESSURE: 2656800 39.1696 273.913 31.2124 242.448 -97.7298 -77.4173 57.8896 123.194 -465.486 PRESSAVG: 2656800 22.6496 10.845 16.7634 10.845 19.1614 -10.7397 16.7634 -10.7397 8.17927 GPRESSAVG: 2656800 22.0303 12.3364 16.8419 12.8441 18.9708 -10.6862 17.1415 -9.83558 8.79735 TIMING: 2656800 CPU: 8296.63, 0.00310312/step Wall: 8296.63, 0.00310312/step, 2.01979 hours remaining, 235.023438 MB of memory in use. ENERGY: 2656800 3982.9203 20463.1766 14476.1296 233.2099 -203512.7505 2797.1802 0.0000 0.0000 52108.5929 -109451.5410 299.4688 -161560.1339 -109089.3153 298.8665 -202.6946 -174.6822 762351.6157 16.6634 16.5995 PRESSURE: 2657000 -212.42 131.099 170.517 131.1 -313.202 -115.555 170.518 -115.554 -136.394 GPRESSURE: 2657000 -247.225 97.3241 295.989 69.731 -140.289 -118.992 308.691 -199.258 -160.343 PRESSAVG: 2657000 31.6968 4.26159 72.6455 4.2616 7.66456 22.4986 72.6454 22.4986 -0.18325 GPRESSAVG: 2657000 31.315 3.80357 73.2516 3.81757 7.77457 23.4203 72.5213 20.9045 0.507029 TIMING: 2657000 CPU: 8297.26, 0.00312621/step Wall: 8297.26, 0.00312621/step, 2.03464 hours remaining, 235.023438 MB of memory in use. ENERGY: 2657000 3953.1525 20577.3521 14464.5253 243.1028 -203046.1199 2404.9294 0.0000 0.0000 51972.7308 -109430.3271 298.6880 -161403.0579 -109064.9456 298.5005 -220.6723 -182.6190 762504.5689 13.0594 13.1989 PRESSURE: 2657200 -155.187 -93.8117 48.404 -93.8118 -75.3745 -177.236 48.4042 -177.235 212.5 GPRESSURE: 2657200 -122.332 -22.0462 116.854 -98.0001 -47.8093 -178.082 -14.9509 -251.832 252.329 PRESSAVG: 2657200 -8.97675 50.4862 -54.852 50.4861 -2.14073 -46.4157 -54.852 -46.4157 -7.93227 GPRESSAVG: 2657200 -9.39514 49.4296 -55.8185 50.105 -1.52657 -48.0227 -54.456 -47.0144 -7.98036 TIMING: 2657200 CPU: 8297.89, 0.00313831/step Wall: 8297.89, 0.00313831/step, 2.04234 hours remaining, 235.023438 MB of memory in use. ENERGY: 2657200 3941.7489 20497.9824 14511.1173 231.8350 -203536.0008 2954.1213 0.0000 0.0000 52222.0925 -109177.1035 300.1211 -161399.1960 -108812.2452 298.5991 -6.0204 27.3959 761405.7187 -6.3499 -6.3007 PRESSURE: 2657400 -15.8967 33.8732 54.7323 33.8723 103.858 19.4023 54.7316 19.4021 21.8307 GPRESSURE: 2657400 36.5317 -38.3398 5.48938 204.909 121.25 81.076 33.3974 71.1212 43.3573 PRESSAVG: 2657400 -22.1855 13.9089 5.36713 13.9089 -13.92 -15.8458 5.36708 -15.8458 17.6398 GPRESSAVG: 2657400 -20.8621 12.5922 6.26742 14.3529 -14.4083 -15.2139 5.2387 -16.6219 17.1626 TIMING: 2657400 CPU: 8298.51, 0.00309369/step Wall: 8298.51, 0.00309369/step, 2.01314 hours remaining, 235.023438 MB of memory in use. ENERGY: 2657400 4008.8357 20463.5093 14505.8695 261.6380 -203285.7175 2737.0407 0.0000 0.0000 52048.0871 -109260.7372 299.1211 -161308.8242 -108906.5433 298.3936 36.5974 67.0464 761915.4795 -6.1552 -6.0359 PRESSURE: 2657600 82.2496 -303.078 82.3643 -303.078 101.505 128.265 82.3644 128.266 -63.9305 GPRESSURE: 2657600 174.284 -311.224 128.906 -214.178 26.0614 135.075 144.245 156.338 9.7516 PRESSAVG: 2657600 23.0972 7.74375 8.72628 7.7438 2.28334 38.5774 8.72629 38.5774 -16.1442 GPRESSAVG: 2657600 23.6358 8.16665 9.62148 8.71616 1.37098 38.6149 9.66311 39.8896 -16.1784 TIMING: 2657600 CPU: 8299.13, 0.00311292/step Wall: 8299.13, 0.00311292/step, 2.02548 hours remaining, 235.023438 MB of memory in use. ENERGY: 2657600 3942.8017 20585.0496 14514.6724 233.5220 -203224.9479 2805.9213 0.0000 0.0000 51857.4818 -109285.4991 298.0257 -161142.9809 -108921.6119 298.5335 39.9414 70.0324 760828.7902 3.0788 2.9428 PRESSURE: 2657800 195.407 -130.324 69.7193 -130.324 204.574 330.548 69.7189 330.548 1.11495 GPRESSURE: 2657800 298.817 -129.053 26.3736 -174.129 116.653 386.752 128.896 157.041 69.6652 PRESSAVG: 2657800 43.4657 1.09602 45.7764 1.09602 -9.8727 -24.6671 45.7764 -24.6671 15.2948 GPRESSAVG: 2657800 42.9974 -0.215595 47.34 1.18135 -9.35511 -24.0148 44.482 -25.825 15.122 TIMING: 2657800 CPU: 8299.75, 0.00311518/step Wall: 8299.75, 0.00311518/step, 2.02677 hours remaining, 235.023438 MB of memory in use. ENERGY: 2657800 3935.8485 20455.4804 14572.3561 245.3702 -203041.6436 2704.5476 0.0000 0.0000 51894.4621 -109233.5787 298.2382 -161128.0408 -108870.5592 298.5935 133.6987 161.7118 762366.4949 16.2959 16.2548 PRESSURE: 2658000 129.477 -55.5782 -93.6636 -55.5773 184.665 -114.127 -93.6648 -114.126 -113.665 GPRESSURE: 2658000 124.164 -12.685 -72.8181 -17.0864 219.149 -1.51445 -97.1635 -175.196 -64.3934 PRESSAVG: 2658000 64.2477 -103.957 19.9716 -103.957 -69.9638 23.1261 19.9716 23.1262 14.4907 GPRESSAVG: 2658000 65.6536 -102.824 18.6931 -104.495 -70.2489 21.9282 21.5373 24.1874 13.8312 TIMING: 2658000 CPU: 8300.38, 0.0031239/step Wall: 8300.38, 0.0031239/step, 2.03227 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2658000 3967.9391 20492.5989 14532.9769 245.9419 -203116.7215 2571.6335 0.0000 0.0000 52235.8015 -109069.8297 300.1999 -161305.6311 -108715.7726 299.4182 66.8258 92.9731 762825.6785 2.9248 3.0787 PRESSURE: 2658200 76.8741 114.155 26.9148 114.155 -266.66 210.049 26.9133 210.05 63.3823 GPRESSURE: 2658200 76.4934 75.1164 7.3537 38.9712 -168.723 147.044 -22.4918 188.528 45.7618 PRESSAVG: 2658200 48.6827 -50.6574 28.3362 -50.6574 -63.0202 13.1038 28.3362 13.1038 -4.12326 GPRESSAVG: 2658200 47.0743 -48.6608 26.541 -50.8206 -61.9762 15.2543 27.8849 12.4471 -3.4854 TIMING: 2658200 CPU: 8301, 0.00311816/step Wall: 8301, 0.00311816/step, 2.02836 hours remaining, 235.023438 MB of memory in use. ENERGY: 2658200 3963.3572 20490.4926 14517.9772 232.2837 -203151.4047 2714.3232 0.0000 0.0000 52339.7850 -108893.1859 300.7975 -161232.9709 -108523.8486 299.3258 -42.1345 -15.4893 762789.0145 -6.1536 -6.1291 PRESSURE: 2658400 96.1912 116.354 13.7676 116.355 386.887 -288.856 13.7682 -288.856 -116.805 GPRESSURE: 2658400 179.526 139.129 -82.1946 145.32 382.579 -274.816 60.1709 -231.669 -112.741 PRESSAVG: 2658400 20.3371 -39.9427 26.6708 -39.9428 18.7261 -1.21501 26.6708 -1.21511 -4.32847 GPRESSAVG: 2658400 20.0775 -39.9703 26.8903 -39.8439 18.5901 -2.33158 27.592 -0.0584609 -4.55136 TIMING: 2658400 CPU: 8301.63, 0.00312497/step Wall: 8301.63, 0.00312497/step, 2.03262 hours remaining, 235.023438 MB of memory in use. ENERGY: 2658400 3982.6875 20476.4907 14551.2794 246.5023 -203246.9648 2792.0777 0.0000 0.0000 52268.7028 -108929.2243 300.3890 -161197.9271 -108568.2074 299.6883 122.0909 149.7884 760535.5076 11.5782 11.3721 PRESSURE: 2658600 33.6612 -97.0484 -27.0049 -97.0482 148.239 -130.556 -27.0059 -130.557 124.315 GPRESSURE: 2658600 37.1114 -142.222 -52.6276 -162.311 165.966 -149.417 -130.389 -194.961 200.113 PRESSAVG: 2658600 16.2883 10.4737 45.5567 10.4736 -1.38642 6.91941 45.5567 6.91942 -14.4341 GPRESSAVG: 2658600 16.4722 8.86262 46.7246 9.52547 -2.91639 6.81531 43.1836 6.10194 -13.597 TIMING: 2658600 CPU: 8302.25, 0.0031191/step Wall: 8302.25, 0.0031191/step, 2.02863 hours remaining, 235.023438 MB of memory in use. ENERGY: 2658600 3991.6046 20524.5539 14546.6488 253.3403 -203062.6416 2832.2682 0.0000 0.0000 52129.6946 -108784.5312 299.5901 -160914.2258 -108421.7262 299.5111 102.0716 134.3970 761920.5451 0.1559 -0.0137 PRESSURE: 2658800 -173.464 41.4721 83.4112 41.4723 -81.5652 46.594 83.4106 46.5955 -417.573 GPRESSURE: 2658800 -148.325 -36.7995 110.471 195.259 -61.1052 109.634 88.737 -75.7135 -390.055 PRESSAVG: 2658800 -2.54205 8.37256 12.1798 8.37255 25.3794 -37.6891 12.1798 -37.689 -0.592955 GPRESSAVG: 2658800 -2.64202 9.42212 11.8688 9.72266 25.2977 -36.5396 13.0969 -36.0794 -0.365722 TIMING: 2658800 CPU: 8302.88, 0.0031331/step Wall: 8302.88, 0.0031331/step, 2.03756 hours remaining, 235.023438 MB of memory in use. ENERGY: 2658800 3994.0709 20453.9737 14561.6227 251.6082 -202774.5599 2365.6975 0.0000 0.0000 52240.8750 -108906.7118 300.2290 -161147.5868 -108542.4409 299.6834 -224.2006 -199.8285 762013.5548 7.4148 7.4300 PRESSURE: 2659000 105.554 100.355 47.1958 100.355 -49.6636 -140.391 47.1951 -140.391 219.375 GPRESSURE: 2659000 85.0603 167.269 -50.0668 106.109 77.0301 -264.969 121.924 -78.2347 187.269 PRESSAVG: 2659000 21.7955 23.7483 39.1313 23.7483 -19.0429 -43.6176 39.1313 -43.6176 -23.7358 GPRESSAVG: 2659000 20.5043 22.5711 40.4106 21.9463 -17.1543 -44.5925 41.1721 -45.4589 -24.3723 TIMING: 2659000 CPU: 8303.5, 0.00311743/step Wall: 8303.5, 0.00311743/step, 2.0272 hours remaining, 235.023438 MB of memory in use. ENERGY: 2659000 3994.0460 20506.0178 14513.4371 254.8167 -203068.1214 2610.5173 0.0000 0.0000 52210.9725 -108978.3140 300.0572 -161189.2865 -108618.9585 299.7347 91.7551 116.4531 760120.1350 -6.9944 -7.0074 PRESSURE: 2659200 282.211 36.4031 -397.885 36.4026 404.976 40.0794 -397.884 40.0793 632.077 GPRESSURE: 2659200 315.815 91.6466 -383.05 66.7109 466.806 0.140687 -339.85 34.5695 647.265 PRESSAVG: 2659200 11.0072 -1.4334 -61.276 -1.43346 33.4888 15.2738 -61.2759 15.2737 4.99869 GPRESSAVG: 2659200 11.3431 -1.89787 -63.009 0.954531 32.7524 15.2487 -62.0697 15.9509 5.10976 TIMING: 2659200 CPU: 8304.12, 0.0031132/step Wall: 8304.12, 0.0031132/step, 2.02427 hours remaining, 235.023438 MB of memory in use. ENERGY: 2659200 4025.4863 20412.0512 14510.8055 260.2392 -202858.6625 2740.7928 0.0000 0.0000 52095.5124 -108813.7750 299.3936 -160909.2874 -108464.5484 299.6178 439.7548 476.6289 763082.8557 16.4982 16.4017 PRESSURE: 2659400 -416.31 116.011 -61.6533 116.011 -229.857 -243.875 -61.6529 -243.876 -152.259 GPRESSURE: 2659400 -325.83 44.6793 -138.38 25.2856 -236.809 -312.389 5.43529 -167.789 -143.563 PRESSAVG: 2659400 20.7464 -23.4429 3.3689 -23.443 -25.0726 3.71198 3.36891 3.71194 14.5254 GPRESSAVG: 2659400 20.503 -22.6883 4.31262 -26.5837 -25.3619 2.35103 2.03859 2.37758 15.0808 TIMING: 2659400 CPU: 8304.75, 0.00312202/step Wall: 8304.75, 0.00312202/step, 2.02983 hours remaining, 235.023438 MB of memory in use. ENERGY: 2659400 3966.8324 20436.7921 14500.2516 265.7952 -202695.1773 2382.2183 0.0000 0.0000 52014.2327 -109129.0550 298.9265 -161143.2876 -108764.8917 299.2715 -266.1416 -235.4010 762657.0909 3.3997 3.4073 PRESSURE: 2659600 -155.589 -112.338 288.906 -112.337 -272.103 107.089 288.905 107.089 -220.853 GPRESSURE: 2659600 -88.1777 -238.908 271.784 -174.316 -261.874 172.578 341.769 92.5496 -220.623 PRESSAVG: 2659600 -2.41724 0.423742 -3.53242 0.42367 -24.748 -8.90839 -3.53241 -8.90834 3.09293 GPRESSAVG: 2659600 -1.97458 -0.312947 -4.49342 2.86058 -24.9807 -6.98208 -0.967017 -8.00702 2.64858 TIMING: 2659600 CPU: 8305.37, 0.00312395/step Wall: 8305.37, 0.00312395/step, 2.03091 hours remaining, 235.023438 MB of memory in use. ENERGY: 2659600 3994.7873 20642.8461 14518.7386 238.8316 -203343.6474 2948.1330 0.0000 0.0000 52075.3876 -108924.9233 299.2780 -161000.3109 -108575.7411 299.5547 -216.1814 -190.2251 764415.1915 -8.0241 -8.1022 PRESSURE: 2659800 -194.052 -156.644 71.0903 -156.644 293.724 -88.0943 71.0904 -88.0945 439.347 GPRESSURE: 2659800 -150.979 -193.82 51.4884 -74.3391 306.583 20.9107 72.3928 -39.4768 481.092 PRESSAVG: 2659800 -5.86296 9.90749 14.2235 9.90753 17.0376 51.4285 14.2236 51.4285 18.6997 GPRESSAVG: 2659800 -6.30445 9.15882 14.6632 9.40453 17.9015 50.6208 11.7814 52.3108 17.5005 TIMING: 2659800 CPU: 8306, 0.00311871/step Wall: 8306, 0.00311871/step, 2.02734 hours remaining, 235.023438 MB of memory in use. ENERGY: 2659800 3987.8500 20628.5210 14474.7562 258.1010 -203000.5015 2926.6066 0.0000 0.0000 51900.4387 -108824.2280 298.2725 -160724.6667 -108464.5925 299.8085 179.6729 212.2323 764772.5465 9.9581 9.6992 PRESSURE: 2660000 262.746 -77.7351 134.473 -77.7356 -87.0196 -188.012 134.473 -188.012 -364.325 GPRESSURE: 2660000 264.118 -100.61 128.868 -33.8636 -87.6928 -175.347 116.139 -253.251 -284.134 PRESSAVG: 2660000 -59.0176 4.13048 -21.795 4.13045 -45.2144 10.5156 -21.795 10.5157 19.0791 GPRESSAVG: 2660000 -59.113 3.73803 -20.2158 3.39111 -45.9212 10.1723 -22.6023 10.8349 19.2713 TIMING: 2660000 CPU: 8306.62, 0.00312571/step Wall: 8306.62, 0.00312571/step, 2.03171 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2660000 3986.8766 20521.2586 14551.3323 253.3262 -203355.8271 2928.3629 0.0000 0.0000 51957.7090 -109156.9615 298.6017 -161114.6705 -108801.6919 299.2080 -62.8663 -35.9030 763896.5978 -28.3843 -28.5876 PRESSURE: 2660200 -165.693 -83.3491 55.0987 -83.3487 174.092 40.3624 55.0976 40.362 49.8362 GPRESSURE: 2660200 -136.009 -35.605 12.5437 -71.8747 247.464 59.3422 3.3046 -42.5302 48.3008 PRESSAVG: 2660200 -60.7567 -11.9844 37.2708 -11.9844 24.931 -26.7621 37.2709 -26.762 15.9878 GPRESSAVG: 2660200 -60.3114 -11.174 36.6943 -11.0463 23.7976 -25.7228 39.625 -27.0549 16.5347 TIMING: 2660200 CPU: 8307.24, 0.00312095/step Wall: 8307.24, 0.00312095/step, 2.02845 hours remaining, 235.023438 MB of memory in use. ENERGY: 2660200 3934.3979 20423.9155 14503.9031 263.1892 -203352.2853 2894.4912 0.0000 0.0000 52174.3915 -109157.9969 299.8469 -161332.3884 -108796.0653 299.2853 19.4118 53.2518 762918.2475 -6.6126 -6.6597 LDB: ============= START OF LOAD BALANCING ============== 8319.72 LDB: ============== END OF LOAD BALANCING =============== 8319.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8319.72 LDB: ============= START OF LOAD BALANCING ============== 8320.04 LDB: Largest compute 7064 load 0.031373 is 16.1% of average load 0.195179 LDB: Average compute 0.004416 is 2.3% of average load 0.195179 LDB: TIME 8320.04 LOAD: AVG 0.195179 MAX 0.218146 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.027 MB LDB: TIME 8320.04 LOAD: AVG 0.195179 MAX 0.218146 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.027 MB LDB: TIME 8320.04 LOAD: AVG 0.195179 MAX 0.216369 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.027 MB LDB: ============== END OF LOAD BALANCING =============== 8320.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8320.05 PRESSURE: 2660400 152.394 256.109 202.38 256.108 53.7088 -74.2534 202.38 -74.2533 -454.278 GPRESSURE: 2660400 225.102 197.216 214.54 178.792 -19.7123 -103.634 56.5704 -28.3511 -402.652 PRESSAVG: 2660400 -77.515 32.5568 -15.3088 32.5568 48.396 -54.5244 -15.3088 -54.5244 0.360959 GPRESSAVG: 2660400 -77.7361 32.6087 -14.9703 32.1764 48.2 -54.1574 -16.9396 -54.0405 0.56583 TIMING: 2660400 CPU: 8307.88, 0.00319108/step Wall: 8307.88, 0.00319108/step, 2.07385 hours remaining, 235.023438 MB of memory in use. ENERGY: 2660400 3968.7460 20483.8481 14545.5910 247.2269 -202825.6009 2515.1253 0.0000 0.0000 51946.1679 -109118.8958 298.5353 -161065.0636 -108752.6533 299.0224 -82.7253 -65.7539 763714.0307 -9.5860 -9.6568 PRESSURE: 2660600 178.048 -267.562 -29.9593 -267.562 -233.441 -189.13 -29.9596 -189.13 -8.26647 GPRESSURE: 2660600 198.329 -224.918 -69.7183 -286.873 -156.897 -54.4832 -55.631 -221.902 0.292018 PRESSAVG: 2660600 16.2472 42.029 25.7557 42.029 41.5464 -47.2681 25.7557 -47.2681 -5.05688 GPRESSAVG: 2660600 15.5623 40.6848 24.5916 43.1677 41.9558 -46.8763 24.8587 -46.7941 -4.91905 TIMING: 2660600 CPU: 8308.51, 0.00312663/step Wall: 8308.51, 0.00312663/step, 2.03179 hours remaining, 235.226562 MB of memory in use. ENERGY: 2660600 3978.3162 20621.4993 14443.1024 266.3622 -203698.0638 2983.5581 0.0000 0.0000 52146.5610 -109258.6645 299.6870 -161405.2256 -108891.1549 299.1164 -21.2199 13.9080 763426.7543 17.5789 17.5330 PRESSURE: 2660800 -193.915 -97.113 2.1261 -97.1138 180.274 -195.652 2.12706 -195.653 -192.27 GPRESSURE: 2660800 -144.474 -113.62 -5.41977 -168.173 218.525 -195.929 -76.2238 -267.131 -178.558 PRESSAVG: 2660800 16.7535 33.7259 44.1523 33.7258 -7.96477 -10.1686 44.1523 -10.1687 -4.67131 GPRESSAVG: 2660800 17.2738 33.2145 45.2696 32.0386 -7.61585 -12.9889 45.7704 -10.6139 -5.17802 TIMING: 2660800 CPU: 8309.13, 0.00309968/step Wall: 8309.13, 0.00309968/step, 2.0141 hours remaining, 235.226562 MB of memory in use. ENERGY: 2660800 4023.4871 20486.3283 14474.9866 253.1564 -203047.3866 2579.9082 0.0000 0.0000 52142.8699 -109086.6501 299.6658 -161229.5200 -108727.9271 299.2739 -68.6373 -34.8356 763925.8396 1.3725 1.4933 PRESSURE: 2661000 -8.49428 -155.397 10.1542 -155.396 43.3514 -194.643 10.1554 -194.644 75.4453 GPRESSURE: 2661000 -28.8565 -218.192 26.4076 -177.216 164.216 -62.4215 -31.4756 -115.902 54.6534 PRESSAVG: 2661000 -61.2301 7.38616 -18.4178 7.38617 48.0824 -38.1533 -18.4177 -38.1533 7.7662 GPRESSAVG: 2661000 -62.0404 7.94626 -18.6759 7.7494 47.8221 -35.717 -18.0479 -38.0309 8.74634 TIMING: 2661000 CPU: 8309.75, 0.00310734/step Wall: 8309.75, 0.00310734/step, 2.01891 hours remaining, 235.226562 MB of memory in use. ENERGY: 2661000 3998.4268 20502.7751 14443.1912 246.7974 -203381.7868 2855.2466 0.0000 0.0000 52164.4609 -109170.8887 299.7899 -161335.3496 -108817.4170 299.3650 36.7675 63.3376 762593.1923 -1.7938 -1.8240 PRESSURE: 2661200 335.206 124.693 -197.824 124.692 113.121 -112.443 -197.824 -112.442 21.3885 GPRESSURE: 2661200 379.69 197.911 -140.307 36.9487 76.1178 -81.3974 -146.408 -189.304 101.45 PRESSAVG: 2661200 -11.713 60.6945 -46.0499 60.6946 2.45005 11.8563 -46.0499 11.8563 10.6124 GPRESSAVG: 2661200 -10.5597 59.7366 -47.504 62.5391 2.15231 9.36231 -44.6056 11.1465 9.73589 TIMING: 2661200 CPU: 8310.37, 0.00309813/step Wall: 8310.37, 0.00309813/step, 2.01275 hours remaining, 235.226562 MB of memory in use. ENERGY: 2661200 3952.9138 20433.6252 14466.3852 260.4547 -203539.9242 3016.6108 0.0000 0.0000 51992.6186 -109417.3159 298.8023 -161409.9344 -109065.4035 298.5100 156.5718 185.7524 762290.2420 0.4498 0.4428 PRESSURE: 2661400 116.343 43.4305 -33.0034 43.4304 217.496 133.544 -33.0026 133.544 447.489 GPRESSURE: 2661400 143.036 -22.2316 -81.3695 86.3554 241.855 159.955 68.335 149.19 473.159 PRESSAVG: 2661400 -101.627 43.7502 -18.2191 43.7501 55.2035 -14.2398 -18.2191 -14.2398 -2.56833 GPRESSAVG: 2661400 -100.126 45.5042 -18.1106 41.1295 54.8977 -12.4767 -20.9316 -15.0652 -3.43546 TIMING: 2661400 CPU: 8310.99, 0.00308893/step Wall: 8310.99, 0.00308893/step, 2.0066 hours remaining, 235.226562 MB of memory in use. ENERGY: 2661400 4093.2045 20520.9491 14388.9061 229.0503 -202939.2723 2822.3319 0.0000 0.0000 51750.9070 -109133.9232 297.4132 -160884.8302 -108780.3446 298.8609 260.4425 286.0165 763066.7347 -16.3305 -16.2212 PRESSURE: 2661600 -113.258 59.1397 174.108 59.1389 -255.792 204.589 174.109 204.59 -109.458 GPRESSURE: 2661600 -116.025 153.556 202.668 12.3474 -151.13 176.206 154.409 141.318 -134.219 PRESSAVG: 2661600 -15.5441 52.3401 -36.4082 52.3401 10.9238 36.6869 -36.4082 36.6869 -16.8021 GPRESSAVG: 2661600 -16.1097 51.1678 -34.8853 54.4495 10.779 35.9069 -35.9039 35.891 -15.9347 TIMING: 2661600 CPU: 8311.6, 0.0030907/step Wall: 8311.6, 0.0030907/step, 2.00758 hours remaining, 235.226562 MB of memory in use. ENERGY: 2661600 4004.7244 20189.7204 14399.9574 238.1109 -202431.5012 2219.5556 0.0000 0.0000 52194.6335 -109184.7988 299.9633 -161379.4324 -108816.8510 299.0728 -159.5027 -133.7914 763768.5228 -7.1408 -7.0884 PRESSURE: 2661800 -23.2758 -20.5489 10.4736 -20.5489 -431.731 49.0823 10.4729 49.0818 -110.895 GPRESSURE: 2661800 -76.6497 -17.8334 -48.7189 -23.1551 -341.858 81.2484 -66.7801 99.2184 -57.7354 PRESSAVG: 2661800 0.216528 27.0103 -57.5984 27.0103 34.4349 47.5461 -57.5984 47.5462 27.7365 GPRESSAVG: 2661800 0.582172 30.0404 -56.9907 24.6082 35.2623 49.637 -57.6873 45.2814 26.9632 TIMING: 2661800 CPU: 8312.23, 0.0031119/step Wall: 8312.23, 0.0031119/step, 2.02118 hours remaining, 235.226562 MB of memory in use. ENERGY: 2661800 3962.5952 20407.9825 14529.6636 272.9319 -203118.3307 2732.3688 0.0000 0.0000 51806.3804 -109406.4083 297.7320 -161212.7886 -109033.2927 298.9337 -188.6338 -158.7478 761939.5986 20.7960 20.9359 PRESSURE: 2662000 -72.1091 -27.0064 -249.469 -27.0063 -421.99 -89.437 -249.471 -89.4383 154.699 GPRESSURE: 2662000 -79.3736 3.31279 -298.53 87.3202 -370.656 -83.9075 -199.109 -17.0554 193.792 PRESSAVG: 2662000 27.902 60.1768 -38.4022 60.1768 -32.5875 -31.4515 -38.4022 -31.4516 -7.66836 GPRESSAVG: 2662000 26.8746 57.223 -39.9341 62.2637 -32.3938 -32.9124 -36.744 -29.6047 -7.26382 TIMING: 2662000 CPU: 8312.85, 0.00311323/step Wall: 8312.85, 0.00311323/step, 2.02187 hours remaining, 235.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2662000 3954.1136 20512.8771 14420.4895 244.2694 -203060.0799 2846.4461 0.0000 0.0000 51843.5127 -109238.3716 297.9454 -161081.8843 -108880.5259 298.4027 -113.1334 -85.4126 762633.0123 -4.1180 -4.2610 PRESSURE: 2662200 -173.309 102.293 -43.6957 102.293 65.9772 -21.3446 -43.6956 -21.3449 -552.187 GPRESSURE: 2662200 -185.344 31.5582 -76.5919 23.9961 115.16 96.9431 -17.7023 49.8722 -495.363 PRESSAVG: 2662200 6.86728 33.9805 -12.3106 33.9804 10.8366 -37.7832 -12.3106 -37.7832 46.5761 GPRESSAVG: 2662200 6.81683 33.4146 -11.3279 33.8328 10.1785 -38.2245 -12.405 -36.3626 47.6136 TIMING: 2662200 CPU: 8313.47, 0.00311393/step Wall: 8313.47, 0.00311393/step, 2.02215 hours remaining, 235.226562 MB of memory in use. ENERGY: 2662200 3984.9101 20495.3228 14454.7043 253.9444 -203027.1159 2497.4827 0.0000 0.0000 52133.2877 -109207.4639 299.6107 -161340.7516 -108848.0134 298.5635 -219.8397 -188.5155 763063.6923 21.4267 21.5363 PRESSURE: 2662400 -8.24392 43.2128 -208.762 43.2132 -141.101 99.0466 -208.762 99.0459 201.381 GPRESSURE: 2662400 -44.2796 147.158 -251.896 -2.96722 50.2987 54.488 -264.016 -68.9877 137.529 PRESSAVG: 2662400 -2.22798 68.1908 -56.6493 68.1907 24.4628 24.9135 -56.6493 24.9135 -7.59263 GPRESSAVG: 2662400 -2.50035 71.0624 -57.6587 68.0438 25.8702 23.842 -56.7068 23.3928 -9.13591 TIMING: 2662400 CPU: 8314.09, 0.00309063/step Wall: 8314.09, 0.00309063/step, 2.00685 hours remaining, 235.226562 MB of memory in use. ENERGY: 2662400 4074.5980 20496.1145 14562.4605 253.3112 -203325.6232 2886.6896 0.0000 0.0000 52074.8597 -108977.5896 299.2749 -161052.4494 -108617.8181 298.5496 17.3453 47.8493 761678.2574 4.8807 4.7446 PRESSURE: 2662600 169.395 -87.4609 -165.421 -87.4605 192.359 19.1772 -165.421 19.1773 -113.502 GPRESSURE: 2662600 234.719 -149.56 -180.177 -46.1455 206.206 141.526 -141.46 -11.7676 -102.292 PRESSAVG: 2662600 37.4298 41.8887 -58.7247 41.8887 -38.4988 -13.1361 -58.7247 -13.136 4.69323 GPRESSAVG: 2662600 38.0514 38.248 -60.534 41.845 -39.8652 -11.2536 -58.0328 -13.8456 5.58249 TIMING: 2662600 CPU: 8314.71, 0.00311457/step Wall: 8314.71, 0.00311457/step, 2.02222 hours remaining, 235.226562 MB of memory in use. ENERGY: 2662600 4071.2116 20453.6565 14572.6723 257.9060 -203358.7312 2904.1248 0.0000 0.0000 52172.5605 -108926.5995 299.8364 -161099.1600 -108571.0111 299.4613 82.7507 112.8778 762982.2289 1.2081 1.2562 PRESSURE: 2662800 -279.066 -34.6284 43.5554 -34.6271 357.185 22.734 43.5555 22.7341 -84.6969 GPRESSURE: 2662800 -206.861 1.90028 146.223 -100.609 333.037 34.9728 33.8301 -35.6393 -53.7164 PRESSAVG: 2662800 -13.3271 57.7628 -33.2029 57.7628 35.9127 -26.5033 -33.2028 -26.5033 5.22752 GPRESSAVG: 2662800 -14.3315 59.0257 -31.9616 57.7476 36.8386 -26.649 -32.2728 -24.8297 4.56148 TIMING: 2662800 CPU: 8315.33, 0.00309268/step Wall: 8315.33, 0.00309268/step, 2.00784 hours remaining, 235.226562 MB of memory in use. ENERGY: 2662800 4009.1713 20528.0024 14531.1014 278.1908 -203421.4194 2792.9910 0.0000 0.0000 52275.8676 -109006.0949 300.4301 -161281.9625 -108638.9638 299.8339 -2.1929 24.1531 762475.4324 9.2710 9.0228 PRESSURE: 2663000 -211.433 -51.6703 322.692 -51.6702 -92.5757 -107.368 322.693 -107.368 427.596 GPRESSURE: 2663000 -99.5798 49.2926 336.377 -74.5208 -36.8653 -134.815 328.531 -123.151 345.219 PRESSAVG: 2663000 -22.1171 -6.05178 19.1073 -6.05177 11.9076 -9.19116 19.1073 -9.19122 37.6183 GPRESSAVG: 2663000 -23.1346 -4.1299 21.6313 -4.11993 12.5529 -10.8747 17.1818 -8.11665 37.8139 TIMING: 2663000 CPU: 8315.95, 0.00310361/step Wall: 8315.95, 0.00310361/step, 2.01476 hours remaining, 235.226562 MB of memory in use. ENERGY: 2663000 4055.6732 20347.4038 14552.2799 225.2133 -203065.4277 2669.3418 0.0000 0.0000 52327.4677 -108888.0480 300.7267 -161215.5157 -108521.6629 299.4249 41.1959 69.5915 763364.3331 9.1362 9.0774 PRESSURE: 2663200 -175.641 87.8952 -198.56 87.8949 78.4066 98.9592 -198.56 98.9588 175.013 GPRESSURE: 2663200 -135.87 67.5067 -170.958 -11.764 124.456 100.791 -277.07 42.3418 172.096 PRESSAVG: 2663200 -12.1731 -43.2382 16.598 -43.2382 -5.06217 -16.9633 16.598 -16.9634 21.0473 GPRESSAVG: 2663200 -11.4092 -45.7939 14.5684 -46.2896 -6.65729 -16.2926 18.3698 -20.1032 21.5005 TIMING: 2663200 CPU: 8316.57, 0.0031018/step Wall: 8316.57, 0.0031018/step, 2.01341 hours remaining, 235.226562 MB of memory in use. ENERGY: 2663200 3964.5835 20455.6752 14507.3940 229.4450 -203156.2215 2872.4136 0.0000 0.0000 52207.2705 -108919.4397 300.0359 -161126.7102 -108569.6685 299.6120 25.9265 53.5605 763065.2274 1.2707 1.1447 PRESSURE: 2663400 -234.29 -82.9739 -134.946 -82.9731 432.93 187.835 -134.946 187.835 -109.579 GPRESSURE: 2663400 -147.311 10.9153 -81.116 -69.2622 356.793 143.886 -108.463 251.629 -67.0894 PRESSAVG: 2663400 -11.2274 -29.2066 -5.15134 -29.2065 48.2004 -45.8908 -5.15135 -45.8908 -5.20855 GPRESSAVG: 2663400 -10.4161 -25.4792 -4.68051 -29.7451 48.0578 -46.9779 -7.15869 -44.6781 -5.68479 TIMING: 2663400 CPU: 8317.2, 0.00311537/step Wall: 8317.2, 0.00311537/step, 2.02205 hours remaining, 235.226562 MB of memory in use. ENERGY: 2663400 4104.9238 20348.6092 14547.4599 242.5051 -203660.4577 3183.2049 0.0000 0.0000 52315.3034 -108918.4514 300.6568 -161233.7548 -108549.1350 299.7467 29.6869 47.4640 762727.1011 10.5881 10.6523 PRESSURE: 2663600 -120.104 24.0458 78.0104 24.045 -342.685 -183.895 78.0101 -183.895 -7.38323 GPRESSURE: 2663600 -56.9798 -2.70218 117.824 -65.6699 -306.743 -123.036 -32.3972 -178.838 -23.8422 PRESSAVG: 2663600 -49.0439 -0.0584926 -21.6632 -0.0585114 -0.594014 -13.1777 -21.6632 -13.1777 23.7322 GPRESSAVG: 2663600 -48.8418 -2.97605 -22.9245 -0.885999 -0.564316 -10.8671 -22.059 -11.7164 23.8535 TIMING: 2663600 CPU: 8317.81, 0.0030877/step Wall: 8317.81, 0.0030877/step, 2.00392 hours remaining, 235.226562 MB of memory in use. ENERGY: 2663600 4059.3519 20391.3863 14590.1864 243.4866 -203442.1460 2897.7128 0.0000 0.0000 52185.9174 -109074.1046 299.9132 -161260.0220 -108711.3824 299.3014 -156.7240 -129.1882 763301.6284 -8.6352 -8.5175 PRESSURE: 2663800 22.0057 33.5284 -66.4998 33.5286 268.965 143.356 -66.5006 143.356 98.6901 GPRESSURE: 2663800 81.3806 169.871 11.3528 174.071 285.231 166.012 -89.1175 117.529 94.7494 PRESSAVG: 2663800 -28.8017 13.6123 3.17499 13.6124 28.559 -29.5947 3.17502 -29.5947 12.7842 GPRESSAVG: 2663800 -29.084 13.5083 4.60024 16.6444 29.0624 -29.4412 4.76684 -31.667 12.703 TIMING: 2663800 CPU: 8318.43, 0.00309809/step Wall: 8318.43, 0.00309809/step, 2.01049 hours remaining, 235.226562 MB of memory in use. ENERGY: 2663800 4027.0079 20385.7298 14517.6221 243.7866 -203756.4820 3254.6908 0.0000 0.0000 52215.9113 -109111.7334 300.0856 -161327.6446 -108747.3590 299.4365 129.8868 153.7868 763681.7789 4.1805 4.2271 PRESSURE: 2664000 86.839 29.3048 -155.924 29.3049 -184.837 13.8415 -155.923 13.8405 -226.012 GPRESSURE: 2664000 91.5843 48.1645 -140.087 62.801 -93.3278 -67.4811 -76.4467 149.26 -235.722 PRESSAVG: 2664000 -4.44602 64.4798 6.86222 64.4798 9.3944 -40.769 6.86223 -40.7689 -11.4843 GPRESSAVG: 2664000 -4.56507 66.3244 6.02461 65.0739 10.6664 -43.1441 7.08185 -39.7643 -11.8541 TIMING: 2664000 CPU: 8319.05, 0.00310121/step Wall: 8319.05, 0.00310121/step, 2.01234 hours remaining, 235.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2664000 3907.2135 20506.7847 14558.3088 240.7510 -202813.1145 2721.2242 0.0000 0.0000 51767.2699 -109111.5625 297.5072 -160878.8324 -108754.0539 299.1209 -108.0034 -79.1551 763478.6342 -2.1786 -1.9176 PRESSURE: 2664200 -171.687 19.5546 78.2381 19.5545 -85.6908 -0.532475 78.2386 -0.534129 2.37639 GPRESSURE: 2664200 -164.034 -23.6974 -3.94894 43.2754 -12.3263 -45.1933 47.2837 72.4349 7.20774 PRESSAVG: 2664200 -1.24925 41.8232 10.2234 41.8232 -13.9568 -16.5861 10.2234 -16.5862 22.5654 GPRESSAVG: 2664200 -1.39316 39.9322 10.1648 40.5546 -15.7261 -16.2676 9.81915 -17.1805 23.6966 TIMING: 2664200 CPU: 8319.68, 0.00311391/step Wall: 8319.68, 0.00311391/step, 2.02041 hours remaining, 235.226562 MB of memory in use. ENERGY: 2664200 4024.1301 20551.6986 14488.0449 245.2061 -203306.4641 3031.1791 0.0000 0.0000 51974.1903 -108992.0150 298.6964 -160966.2052 -108628.4592 299.2438 -85.0003 -56.3841 763274.8987 2.4531 2.1924 LDB: ============= START OF LOAD BALANCING ============== 8332.15 LDB: ============== END OF LOAD BALANCING =============== 8332.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8332.16 LDB: ============= START OF LOAD BALANCING ============== 8332.47 LDB: Largest compute 7064 load 0.030543 is 15.7% of average load 0.195125 LDB: Average compute 0.004423 is 2.3% of average load 0.195125 LDB: TIME 8332.47 LOAD: AVG 0.195125 MAX 0.213604 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 237.133 MB LDB: TIME 8332.47 LOAD: AVG 0.195125 MAX 0.213604 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.336 MB LDB: TIME 8332.47 LOAD: AVG 0.195125 MAX 0.213604 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.336 MB LDB: ============== END OF LOAD BALANCING =============== 8332.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8332.48 PRESSURE: 2664400 -155.552 -9.72583 98.2073 -9.72631 89.4633 -12.8208 98.2075 -12.8206 263.335 GPRESSURE: 2664400 20.1564 26.3695 86.2266 -14.7665 42.3829 29.8305 60.463 -10.8572 231.038 PRESSAVG: 2664400 -6.69372 7.13477 51.7441 7.13474 -31.7918 -42.3075 51.7441 -42.3075 -14.3464 GPRESSAVG: 2664400 -6.96966 9.97624 49.5036 4.90021 -29.6579 -40.1195 50.8392 -42.0122 -15.6294 TIMING: 2664400 CPU: 8320.31, 0.00317793/step Wall: 8320.31, 0.00317793/step, 2.06177 hours remaining, 234.183594 MB of memory in use. ENERGY: 2664400 4005.7256 20556.4895 14549.8538 224.1142 -203290.1069 3001.4115 0.0000 0.0000 52018.1114 -108934.4008 298.9488 -160952.5123 -108561.1114 299.8058 65.7486 97.8592 762891.0067 -17.6106 -17.4190 PRESSURE: 2664600 10.0901 152.805 133.159 152.805 -76.8285 68.852 133.158 68.8521 -246.153 GPRESSURE: 2664600 23.5938 14.0986 135.967 144.749 -45.2685 41.9119 105.615 -25.0046 -182.3 PRESSAVG: 2664600 22.1807 -14.3954 -4.02145 -14.3955 -41.4022 -25.1688 -4.02144 -25.1688 1.86031 GPRESSAVG: 2664600 23.1195 -16.1103 -1.51296 -13.2149 -43.307 -24.6607 -5.68316 -28.7937 2.70081 TIMING: 2664600 CPU: 8320.93, 0.00308164/step Wall: 8320.93, 0.00308164/step, 1.99913 hours remaining, 234.386719 MB of memory in use. ENERGY: 2664600 4056.2320 20483.5619 14490.1317 233.2504 -202874.0627 2611.4991 0.0000 0.0000 52075.8367 -108923.5510 299.2805 -160999.3877 -108561.7143 299.6157 -104.2971 -67.9916 764477.5793 -5.7871 -5.8289 PRESSURE: 2664800 60.1188 -158.856 -31.4185 -158.856 -224.257 -64.9208 -31.4193 -64.9199 -129.901 GPRESSURE: 2664800 29.5354 -159.194 -18.311 -138.736 -113.091 42.8173 3.28306 -15.1916 -124.297 PRESSAVG: 2664800 22.3537 -39.6783 -22.873 -39.6783 15.2286 2.50631 -22.873 2.50638 0.619934 GPRESSAVG: 2664800 21.6352 -39.8004 -24.0225 -38.7996 14.851 0.432999 -19.7926 3.21849 1.04034 TIMING: 2664800 CPU: 8321.55, 0.00310724/step Wall: 8321.55, 0.00310724/step, 2.01557 hours remaining, 234.386719 MB of memory in use. ENERGY: 2664800 3962.2326 20541.8729 14483.8364 264.0479 -203017.2091 2650.1641 0.0000 0.0000 51999.5815 -109115.4736 298.8423 -161115.0552 -108746.3528 299.8613 -98.0128 -69.2844 763616.9457 12.7341 12.5088 PRESSURE: 2665000 -141.335 -262.005 132.636 -262.005 157.101 -44.2676 132.637 -44.268 -114.708 GPRESSURE: 2665000 -60.8753 -296.767 120.549 -356.846 171.169 -104.467 151.645 -86.5452 -135.762 PRESSAVG: 2665000 -44.6374 -16.4884 -16.1308 -16.4883 100.193 21.0958 -16.1309 21.0958 18.5709 GPRESSAVG: 2665000 -44.2707 -15.3404 -16.4093 -19.0785 100.216 23.4436 -16.4074 22.8363 18.0729 TIMING: 2665000 CPU: 8322.17, 0.00308758/step Wall: 8322.17, 0.00308758/step, 2.00264 hours remaining, 234.386719 MB of memory in use. ENERGY: 2665000 3905.9446 20659.9933 14491.3780 259.3343 -203416.8448 2692.4122 0.0000 0.0000 52339.7177 -109068.0647 300.7971 -161407.7824 -108704.7432 299.5930 -32.9807 -8.4893 761922.0822 24.7088 24.6729 PRESSURE: 2665200 226.867 26.8519 233.853 26.8527 192.537 211.437 233.853 211.438 22.3448 GPRESSURE: 2665200 207.056 40.2843 187.595 132.496 247.121 120.868 212.923 202.07 80.3353 PRESSAVG: 2665200 -14.2179 9.56279 12.2652 9.56279 9.70758 10.5531 12.2653 10.553 -5.29994 GPRESSAVG: 2665200 -13.7093 8.99871 14.201 11.6441 9.76616 8.23679 12.453 9.19937 -6.17108 TIMING: 2665200 CPU: 8322.79, 0.00308827/step Wall: 8322.79, 0.00308827/step, 2.00292 hours remaining, 234.386719 MB of memory in use. ENERGY: 2665200 3943.1587 20509.8177 14421.5086 264.1922 -203508.3743 3112.6349 0.0000 0.0000 52148.0802 -109108.9820 299.6957 -161257.0622 -108742.7487 299.3438 147.2496 178.1706 761673.2670 -3.2701 -3.3714 PRESSURE: 2665400 206.93 74.3068 -80.3552 74.3069 198.699 128.413 -80.3554 128.413 404.508 GPRESSURE: 2665400 218.537 16.6025 -34.2401 89.7929 262.792 186.903 50.6662 91.0597 396.447 PRESSAVG: 2665400 -36.0603 -25.8789 28.2152 -25.8789 22.6938 -17.9389 28.2152 -17.9389 18.7497 GPRESSAVG: 2665400 -37.3312 -27.0492 26.8442 -25.5137 23.8738 -18.0512 28.9606 -17.0896 18.5773 TIMING: 2665400 CPU: 8323.41, 0.00310085/step Wall: 8323.41, 0.00310085/step, 2.0109 hours remaining, 234.386719 MB of memory in use. ENERGY: 2665400 3967.3428 20463.9915 14420.0846 235.4650 -203348.5621 3017.6886 0.0000 0.0000 52077.1374 -109166.8524 299.2880 -161243.9898 -108797.2766 299.3124 270.0455 292.5920 764365.8879 1.7944 1.7066 PRESSURE: 2665600 12.7289 78.7972 6.98745 78.7975 -143.5 23.0902 6.98778 23.091 449.246 GPRESSURE: 2665600 5.80192 211.61 127.015 114.165 -39.7918 25.6253 73.8421 9.49704 429.981 PRESSAVG: 2665600 -16.7319 19.8469 4.82156 19.8469 -5.09638 15.2614 4.8215 15.2614 -27.308 GPRESSAVG: 2665600 -16.2852 19.3804 4.65195 20.7865 -7.16904 17.9974 4.67829 14.7273 -25.8644 TIMING: 2665600 CPU: 8324.03, 0.00310813/step Wall: 8324.03, 0.00310813/step, 2.01545 hours remaining, 234.386719 MB of memory in use. ENERGY: 2665600 4039.6895 20436.9167 14471.2580 267.4289 -203462.4653 3034.3033 0.0000 0.0000 52106.3432 -109106.5255 299.4559 -161212.8688 -108741.4145 298.8515 106.1582 131.9970 762477.2648 -16.3788 -16.4395 PRESSURE: 2665800 209.284 67.6249 73.7991 67.6259 261.097 -183.276 73.7998 -183.275 109.14 GPRESSURE: 2665800 259.315 55.3629 6.16779 119.416 228.043 -166.718 -42.9926 -161.854 175.427 PRESSAVG: 2665800 27.3904 -18.6565 -5.06014 -18.6565 0.134478 6.0192 -5.06009 6.01922 -15.3447 GPRESSAVG: 2665800 27.2316 -18.5448 -4.48012 -20.0592 -0.306189 3.6405 -6.94985 6.10105 -14.8473 TIMING: 2665800 CPU: 8324.65, 0.00311426/step Wall: 8324.65, 0.00311425/step, 2.01925 hours remaining, 234.386719 MB of memory in use. ENERGY: 2665800 3951.7105 20512.4155 14439.1629 239.6927 -203063.3069 2733.7033 0.0000 0.0000 52290.8063 -108895.8157 300.5160 -161186.6220 -108538.0816 299.4465 193.1738 220.9283 764741.3267 4.0601 4.0260 PRESSURE: 2666000 145.284 96.4906 -101.106 96.4908 18.739 -36.5621 -101.106 -36.5627 44.5069 GPRESSURE: 2666000 99.319 201.601 -0.639419 126.834 85.7435 -39.2834 -182.293 -109.958 126.265 PRESSAVG: 2666000 -16.9386 10.5764 23.1975 10.5764 -31.7957 48.7133 23.1974 48.7133 2.67054 GPRESSAVG: 2666000 -17.5878 13.57 22.2069 8.98234 -30.2243 47.6893 26.0009 48.4898 1.78092 TIMING: 2666000 CPU: 8325.27, 0.0030858/step Wall: 8325.27, 0.0030858/step, 2.00062 hours remaining, 234.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2666000 3984.8035 20484.7938 14443.6781 254.8250 -203197.9839 2887.7106 0.0000 0.0000 52242.4298 -108899.7430 300.2380 -161142.1728 -108525.9506 299.4464 69.5098 103.7759 765203.3370 -15.3546 -15.3437 PRESSURE: 2666200 313.749 125.301 164.207 125.301 -168.03 -63.6278 164.208 -63.627 275.166 GPRESSURE: 2666200 341.935 76.5864 194.356 147.369 -156.045 -20.9434 65.4239 -61.5469 325.749 PRESSAVG: 2666200 36.5728 -40.5417 -26.8897 -40.5417 2.56155 -29.3137 -26.8897 -29.3137 -22.1885 GPRESSAVG: 2666200 36.2559 -44.4158 -26.3259 -38.3568 1.60986 -27.9009 -27.812 -30.4381 -21.256 TIMING: 2666200 CPU: 8325.88, 0.00308991/step Wall: 8325.88, 0.00308991/step, 2.00312 hours remaining, 234.386719 MB of memory in use. ENERGY: 2666200 4018.3453 20539.2892 14548.8133 257.8799 -203349.8171 2857.7878 0.0000 0.0000 52150.4266 -108977.2751 299.7092 -161127.7017 -108616.4748 299.6052 140.2950 170.5464 762298.7533 5.6486 5.5366 PRESSURE: 2666400 2.28568 89.9692 42.2578 89.97 110.212 -28.3213 42.2576 -28.3195 218.896 GPRESSURE: 2666400 57.1862 198.127 19.1597 82.9701 146.848 -47.6272 18.3091 -15.9572 212.732 PRESSAVG: 2666400 29.2656 -31.8756 19.0571 -31.8756 -46.0538 73.3923 19.0571 73.3923 18.4892 GPRESSAVG: 2666400 29.8684 -32.7873 21.0718 -29.6148 -45.2927 71.7196 19.0066 75.9337 16.6746 TIMING: 2666400 CPU: 8326.51, 0.0031101/step Wall: 8326.51, 0.0031101/step, 2.01603 hours remaining, 234.386719 MB of memory in use. ENERGY: 2666400 3898.0888 20539.5487 14564.5558 232.6074 -203101.0930 2749.1152 0.0000 0.0000 52076.9130 -109040.2641 299.2867 -161117.1771 -108678.3586 299.1476 110.4646 138.9218 762723.6129 0.5670 0.4168 PRESSURE: 2666600 -241.057 160.611 -82.527 160.611 99.7929 8.96973 -82.5265 8.96987 165.757 GPRESSURE: 2666600 -117.121 127.365 -151.379 222.143 19.1109 28.7218 31.6735 -73.6266 191.837 PRESSAVG: 2666600 -12.7724 4.32322 44.4175 4.3232 0.477725 3.6961 44.4175 3.69613 -3.84349 GPRESSAVG: 2666600 -12.3036 7.34832 43.53 -0.473983 -0.90525 4.67313 43.5436 2.82026 -3.2382 TIMING: 2666600 CPU: 8327.13, 0.00309335/step Wall: 8327.13, 0.00309335/step, 2.00501 hours remaining, 234.386719 MB of memory in use. ENERGY: 2666600 3984.4676 20686.9128 14569.6568 229.5169 -203079.2158 2494.2845 0.0000 0.0000 51894.1488 -109220.2285 298.2364 -161114.3772 -108861.4061 298.8506 8.1641 31.2757 762547.2747 -5.3794 -5.4824 PRESSURE: 2666800 -85.9374 -55.6159 -82.2563 -55.6154 24.1892 49.1479 -82.2563 49.1481 16.9541 GPRESSURE: 2666800 -132.582 -67.7604 -62.8281 -83.9332 116.983 88.1872 -144.82 7.44756 52.1039 PRESSAVG: 2666800 28.1516 -15.9741 -27.2453 -15.9742 -14.288 27.267 -27.2453 27.2671 -3.31446 GPRESSAVG: 2666800 28.7144 -18.1051 -27.03 -15.0459 -14.4349 27.3618 -26.2974 26.6188 -3.63133 TIMING: 2666800 CPU: 8327.75, 0.00309762/step Wall: 8327.75, 0.00309762/step, 2.0076 hours remaining, 234.386719 MB of memory in use. ENERGY: 2666800 3967.2743 20670.0016 14522.5768 245.0830 -203436.9546 3005.2086 0.0000 0.0000 51937.3303 -109089.4800 298.4846 -161026.8104 -108735.6335 299.4578 -14.9314 12.1685 763293.5130 3.5164 3.5494 PRESSURE: 2667000 -109.993 105.828 155.804 105.828 -89.0425 -17.3638 155.805 -17.364 250.88 GPRESSURE: 2667000 -82.8908 155.877 88.5021 116.004 -37.2715 -28.4456 82.2412 -87.2827 253.765 PRESSAVG: 2667000 -48.4614 14.0021 -22.3042 14.0021 -18.0929 0.591375 -22.3042 0.591356 -8.37989 GPRESSAVG: 2667000 -49.1802 15.8921 -22.1075 13.9457 -17.7938 -0.764081 -23.6768 2.00968 -7.99907 TIMING: 2667000 CPU: 8328.37, 0.00311282/step Wall: 8328.37, 0.00311282/step, 2.01728 hours remaining, 234.386719 MB of memory in use. ENERGY: 2667000 3945.6462 20476.8033 14499.8507 251.2348 -203003.4505 2809.7534 0.0000 0.0000 51908.0885 -109112.0735 298.3165 -161020.1620 -108756.4252 299.2025 17.2815 44.5342 764455.7694 -24.9780 -24.9910 PRESSURE: 2667200 -221.903 102.266 41.6795 102.266 409.788 -183.191 41.6787 -183.191 492.775 GPRESSURE: 2667200 -180.212 58.5944 33.4474 79.4455 376.685 -128.658 155.163 -190.898 570.589 PRESSAVG: 2667200 -39.853 50.0514 13.3243 50.0514 27.4343 7.65046 13.3243 7.65049 -16.189 GPRESSAVG: 2667200 -39.8097 48.5769 11.6819 48.9363 26.7679 10.7439 16.0269 4.80519 -15.7976 TIMING: 2667200 CPU: 8328.99, 0.0031027/step Wall: 8328.99, 0.0031027/step, 2.01055 hours remaining, 234.386719 MB of memory in use. ENERGY: 2667200 3956.6179 20497.7048 14504.3806 254.8935 -203293.8500 2816.6780 0.0000 0.0000 52031.8041 -109231.7712 299.0275 -161263.5753 -108879.5038 299.0771 226.8866 255.6874 762676.8986 -9.5359 -9.6131 PRESSURE: 2667400 -96.0458 57.9659 225.891 57.9659 80.7883 202.491 225.892 202.492 -131.258 GPRESSURE: 2667400 -19.7777 114.25 271.745 212.404 120.092 210.348 241.82 149.502 -160.138 PRESSAVG: 2667400 11.5034 -47.915 -9.35733 -47.9151 45.9824 -13.9602 -9.35732 -13.9602 -0.430781 GPRESSAVG: 2667400 10.0952 -47.8633 -9.1118 -47.9858 46.875 -16.0823 -10.9934 -12.737 -0.21432 TIMING: 2667400 CPU: 8329.61, 0.00310694/step Wall: 8329.61, 0.00310694/step, 2.01313 hours remaining, 234.386719 MB of memory in use. ENERGY: 2667400 3868.4874 20534.4147 14458.5169 242.5488 -203286.9515 2704.8538 0.0000 0.0000 52146.3918 -109331.7383 299.6860 -161478.1301 -108968.6297 298.8910 -48.8385 -19.9412 763806.2143 19.0183 18.9186 PRESSURE: 2667600 -58.3701 -63.6296 -293.202 -63.6297 -356.921 73.7842 -293.202 73.7844 -144.958 GPRESSURE: 2667600 -35.9557 -123.945 -211.618 52.0339 -226.519 32.1702 -280.997 78.5077 -192.14 PRESSAVG: 2667600 -17.0452 -3.11609 22.5941 -3.11607 -15.203 32.6896 22.5941 32.6895 -10.1127 GPRESSAVG: 2667600 -16.2789 -3.27163 24.3242 -1.4065 -15.3866 32.6556 22.3847 33.606 -10.1084 TIMING: 2667600 CPU: 8330.23, 0.00310217/step Wall: 8330.23, 0.00310217/step, 2.00986 hours remaining, 234.386719 MB of memory in use. ENERGY: 2667600 3932.1496 20544.7750 14502.1023 245.7827 -203051.2395 2570.3326 0.0000 0.0000 51957.4879 -109298.6094 298.6004 -161256.0972 -108939.4545 299.0853 -186.7497 -151.5382 763768.2832 -14.1203 -13.9246 PRESSURE: 2667800 20.2843 182.204 166.729 182.204 27.2522 -299.949 166.729 -299.949 13.521 GPRESSURE: 2667800 80.5452 84.7572 217.707 190.343 3.93918 -234.021 96.8066 -251.578 49.7248 PRESSAVG: 2667800 47.3994 44.9061 -20.4662 44.9061 -62.7 18.4987 -20.4663 18.4986 -19.7527 GPRESSAVG: 2667800 49.0203 45.7992 -21.4497 45.1389 -64.6422 18.5956 -21.102 18.8772 -19.7218 TIMING: 2667800 CPU: 8330.85, 0.00310094/step Wall: 8330.85, 0.00310094/step, 2.00889 hours remaining, 234.386719 MB of memory in use. ENERGY: 2667800 3944.1552 20437.7670 14470.0989 259.3768 -203528.4374 3029.8056 0.0000 0.0000 52091.6820 -109295.5519 299.3716 -161387.2339 -108930.4228 298.8834 20.3525 44.7364 764322.3789 -11.6845 -11.7812 PRESSURE: 2668000 175.966 130.52 29.2048 130.519 101.383 -10.7479 29.2041 -10.7487 286.939 GPRESSURE: 2668000 185.258 36.842 179.307 91.171 206.955 -68.9841 -123.235 -98.6215 261.455 PRESSAVG: 2668000 42.2864 72.5536 -16.763 72.5536 -36.828 -24.0901 -16.763 -24.0902 11.5754 GPRESSAVG: 2668000 40.286 71.8422 -16.0613 72.3488 -34.491 -25.1814 -15.526 -25.5575 11.2818 TIMING: 2668000 CPU: 8331.47, 0.00308503/step Wall: 8331.47, 0.00308503/step, 1.99842 hours remaining, 234.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2668000 3969.7412 20353.7952 14452.7653 243.4732 -203778.1686 3224.4005 0.0000 0.0000 52177.6323 -109356.3610 299.8656 -161533.9933 -109001.4403 298.9891 188.0963 217.8893 762839.1068 5.6780 5.6923 PRESSURE: 2668200 132.002 196.966 -158.274 196.967 345.337 145.645 -158.274 145.645 -123.016 GPRESSURE: 2668200 260.719 96.1007 -130.424 249.954 284.093 131.854 -77.218 150.345 -110.14 PRESSAVG: 2668200 28.9245 39.3317 -23.2547 39.3317 29.5027 -18.0858 -23.2546 -18.0857 -7.7865 GPRESSAVG: 2668200 29.7725 39.674 -23.856 38.3843 27.8154 -15.5388 -22.5988 -16.2011 -6.76797 TIMING: 2668200 CPU: 8332.09, 0.00309329/step Wall: 8332.09, 0.00309329/step, 2.00359 hours remaining, 234.386719 MB of memory in use. ENERGY: 2668200 4038.8049 20472.3538 14517.3980 243.5200 -203538.7510 2917.3470 0.0000 0.0000 52010.7600 -109338.5672 298.9066 -161349.3272 -108976.8540 299.0803 118.1078 144.8907 762612.0783 16.8802 16.9400 LDB: ============= START OF LOAD BALANCING ============== 8344.56 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8344.56 LDB: =============== DONE WITH MIGRATION ================ 8344.56 LDB: ============= START OF LOAD BALANCING ============== 8344.87 LDB: Largest compute 7064 load 0.030228 is 15.5% of average load 0.195145 LDB: Average compute 0.004410 is 2.3% of average load 0.195145 LDB: TIME 8344.88 LOAD: AVG 0.195145 MAX 0.213547 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.672 MB LDB: TIME 8344.88 LOAD: AVG 0.195145 MAX 0.213547 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.672 MB LDB: TIME 8344.88 LOAD: AVG 0.195145 MAX 0.213547 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.672 MB LDB: ============== END OF LOAD BALANCING =============== 8344.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8344.88 PRESSURE: 2668400 -150.358 -137.681 57.3227 -137.681 -163.238 -88.3857 57.3229 -88.3864 301.312 GPRESSURE: 2668400 -220.908 -125.561 82.4342 -236.028 -17.4403 -75.7308 -33.4209 -127.572 315.316 PRESSAVG: 2668400 -8.30921 21.7691 -22.5535 21.7691 -11.4547 3.83838 -22.5535 3.83836 1.13946 GPRESSAVG: 2668400 -8.31422 22.7282 -22.8226 21.5233 -10.0783 1.40379 -22.9977 3.99419 0.325585 TIMING: 2668400 CPU: 8332.72, 0.00316174/step Wall: 8332.72, 0.00316174/step, 2.04775 hours remaining, 235.468750 MB of memory in use. ENERGY: 2668400 4024.1861 20454.4639 14474.3125 253.5009 -203491.6979 2986.6881 0.0000 0.0000 51920.5879 -109377.9586 298.3883 -161298.5464 -109028.6235 299.1326 -4.0945 25.6558 762369.6341 -6.2081 -6.0223 PRESSURE: 2668600 -165.943 -75.4909 -59.447 -75.4911 -247.703 -236.084 -59.4469 -236.085 -354.824 GPRESSURE: 2668600 -118.754 -174.024 -27.0021 -50.0192 -239.767 -205.69 -10.4236 -63.3272 -310.009 PRESSAVG: 2668600 -35.2079 5.80871 15.0534 5.80864 57.3848 -18.5387 15.0534 -18.5386 2.84458 GPRESSAVG: 2668600 -35.4861 4.0976 14.9162 7.35241 57.2167 -16.8607 17.5558 -18.3211 3.23829 TIMING: 2668600 CPU: 8333.34, 0.00309809/step Wall: 8333.34, 0.0030981/step, 2.00636 hours remaining, 235.468750 MB of memory in use. ENERGY: 2668600 3978.9755 20304.2871 14461.0570 261.1828 -202989.0292 2715.4450 0.0000 0.0000 51983.4672 -109284.6145 298.7497 -161268.0817 -108926.5685 299.0424 -256.1566 -222.8432 763666.3402 8.3405 8.3230 PRESSURE: 2668800 3.78254 -201.907 -158.796 -201.907 127.98 242.944 -158.795 242.943 -149 GPRESSURE: 2668800 -8.06343 -169.29 -209.686 -185.039 164.015 211.486 -170.656 194.38 -88.5625 PRESSAVG: 2668800 -25.1038 -43.9418 4.92759 -43.9419 14.5479 -21.3695 4.9275 -21.3695 -15.8939 GPRESSAVG: 2668800 -24.0493 -42.3577 6.37667 -43.9975 13.3501 -21.7695 3.68678 -23.2262 -15.6738 TIMING: 2668800 CPU: 8333.96, 0.00309665/step Wall: 8333.96, 0.00309665/step, 2.00526 hours remaining, 235.468750 MB of memory in use. ENERGY: 2668800 3974.7344 20490.2396 14586.5561 233.8762 -203127.7519 2659.1459 0.0000 0.0000 51874.0952 -109309.1045 298.1211 -161183.1997 -108957.4428 298.5512 -5.7457 22.4632 763380.0373 -8.8166 -8.7910 PRESSURE: 2669000 141.582 90.4943 -69.8971 90.4932 -4.10369 -1.69488 -69.8961 -1.69471 -52.0496 GPRESSURE: 2669000 96.9806 89.4368 -22.1578 35.8351 48.306 -54.3036 -157.509 6.34256 26.1258 PRESSAVG: 2669000 63.6606 -12.5555 -52.0094 -12.5556 -51.241 -17.8195 -52.0095 -17.8195 -15.7351 GPRESSAVG: 2669000 64.2339 -12.1134 -54.4302 -12.213 -50.2991 -18.1212 -53.0302 -18.3913 -17.4927 TIMING: 2669000 CPU: 8334.58, 0.00310016/step Wall: 8334.58, 0.00310016/step, 2.00735 hours remaining, 235.468750 MB of memory in use. ENERGY: 2669000 3882.9308 20354.8108 14460.1555 250.0901 -203433.2633 2822.2793 0.0000 0.0000 52100.1261 -109562.8707 299.4201 -161662.9968 -109199.3260 298.2667 28.4762 57.1375 763820.7985 -1.1051 -1.1860 PRESSURE: 2669200 191.02 178.727 197.029 178.728 144.475 69.8951 197.029 69.8949 403.278 GPRESSURE: 2669200 204.426 190.798 208.885 214.256 193.008 37.9721 110.273 116.119 433.944 PRESSAVG: 2669200 19.042 2.30124 24.8773 2.30123 -2.41368 62.2762 24.8772 62.2762 -2.46708 GPRESSAVG: 2669200 18.325 1.08951 24.9099 1.83884 -2.72393 61.6951 25.9497 62.2006 -1.11157 TIMING: 2669200 CPU: 8335.2, 0.00310206/step Wall: 8335.2, 0.00310206/step, 2.00841 hours remaining, 235.468750 MB of memory in use. ENERGY: 2669200 3923.0826 20619.0117 14494.6957 247.6034 -203483.3643 2887.3398 0.0000 0.0000 51973.3560 -109338.2750 298.6916 -161311.6310 -108972.1431 298.6359 246.2575 277.1260 761930.9519 4.7204 4.8298 PRESSURE: 2669400 -162.031 -11.1865 151.749 -11.1865 -16.7338 290.652 151.749 290.651 -193.586 GPRESSURE: 2669400 -124.305 -80.5493 138.991 -54.5379 33.4906 204.823 89.9806 243.729 -191.955 PRESSAVG: 2669400 -10.0764 9.0262 37.4203 9.02617 -16.1497 21.3169 37.4203 21.3168 28.7583 GPRESSAVG: 2669400 -9.40613 10.4007 39.3806 8.43926 -17.0053 22.4268 37.1144 21.7778 28.6284 TIMING: 2669400 CPU: 8335.82, 0.00309089/step Wall: 8335.82, 0.00309089/step, 2.00101 hours remaining, 235.468750 MB of memory in use. ENERGY: 2669400 4006.6806 20426.7676 14457.7046 236.5916 -202993.6242 2698.7705 0.0000 0.0000 51866.5205 -109300.5889 298.0776 -161167.1094 -108945.2153 298.9758 -124.1168 -94.2566 763398.5709 0.8441 0.7390 PRESSURE: 2669600 47.8626 168.2 17.8659 168.2 -307.2 -269.607 17.8666 -269.607 258.194 GPRESSURE: 2669600 170.755 135.404 64.0952 191.218 -312.485 -266.056 51.9102 -197.825 219.878 PRESSAVG: 2669600 21.5339 0.0751244 -26.6393 0.0751675 -15.7844 3.52762 -26.6393 3.52757 -19.744 GPRESSAVG: 2669600 21.4126 -2.61521 -26.2838 1.10139 -15.4299 3.65816 -28.1886 3.55934 -19.7453 TIMING: 2669600 CPU: 8336.43, 0.00308235/step Wall: 8336.43, 0.00308235/step, 1.99531 hours remaining, 235.468750 MB of memory in use. ENERGY: 2669600 3962.2204 20379.8682 14483.6444 251.4382 -203205.1226 2712.4029 0.0000 0.0000 52086.2666 -109329.2819 299.3405 -161415.5485 -108960.4027 299.4800 -0.3812 26.0492 762351.7361 -4.6649 -4.5875 PRESSURE: 2669800 -320.663 -53.774 -123.024 -53.7746 -4.34813 4.68439 -123.025 4.68527 -94.2859 GPRESSURE: 2669800 -228.583 -58.0317 -132.716 18.5762 -54.0473 -105.879 -121.146 51.2242 -55.8381 PRESSAVG: 2669800 -20.2766 69.7985 -4.93838 69.7986 -21.2371 -28.5295 -4.93835 -28.5295 -5.73587 GPRESSAVG: 2669800 -19.8045 72.9969 -5.49941 69.7575 -22.0678 -29.3361 -2.68155 -27.1123 -5.51439 TIMING: 2669800 CPU: 8337.05, 0.00308499/step Wall: 8337.05, 0.00308499/step, 1.99685 hours remaining, 235.468750 MB of memory in use. ENERGY: 2669800 4000.9752 20495.2187 14498.3322 225.2596 -202862.2309 2586.6548 0.0000 0.0000 52025.3810 -109030.4094 298.9906 -161055.7904 -108675.1340 299.0485 -139.7657 -112.8227 763171.1253 -15.7499 -15.7955 PRESSURE: 2670000 2.06049 -60.5302 45.4803 -60.5307 -120.025 31.3314 45.4794 31.3321 13.614 GPRESSURE: 2670000 7.56314 38.5382 -54.5569 -105.363 -83.3922 18.541 -22.9991 47.0959 76.4904 PRESSAVG: 2670000 21.9065 25.2493 -22.3289 25.2493 -15.9537 -51.6249 -22.3289 -51.6249 -4.23648 GPRESSAVG: 2670000 21.4961 22.7463 -22.7412 23.5699 -14.3239 -52.7354 -22.8118 -51.9722 -5.13526 TIMING: 2670000 CPU: 8337.67, 0.00310272/step Wall: 8337.67, 0.00310272/step, 2.00815 hours remaining, 235.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2670000 3955.7339 20455.0097 14539.3636 236.5759 -203230.8733 2800.6980 0.0000 0.0000 51991.9427 -109251.5495 298.7984 -161243.4922 -108890.8135 298.9507 -34.7834 0.2204 762407.7348 0.5721 0.6790 PRESSURE: 2670200 -125.998 -130.75 40.3518 -130.749 -7.24378 -90.3419 40.3522 -90.3421 87.1173 GPRESSURE: 2670200 -79.5801 -204.544 8.66531 -138.163 -44.5461 -28.0988 34.9464 -136.391 162.207 PRESSAVG: 2670200 -16.6655 -24.037 -9.74237 -24.0371 -13.4603 -32.5764 -9.74241 -32.5764 23.6131 GPRESSAVG: 2670200 -15.796 -21.6523 -8.51394 -23.3673 -14.1375 -32.4929 -12.0236 -32.755 23.295 TIMING: 2670200 CPU: 8338.29, 0.00311072/step Wall: 8338.29, 0.00311073/step, 2.01316 hours remaining, 235.468750 MB of memory in use. ENERGY: 2670200 3977.5648 20547.8403 14435.2098 234.6497 -203409.6610 2908.8339 0.0000 0.0000 51919.9127 -109385.6497 298.3845 -161305.5624 -109023.4856 298.8547 -15.3747 12.6936 763043.9573 -2.1709 -2.2128 PRESSURE: 2670400 -95.6335 34.1729 78.6044 34.1729 -78.1886 227.565 78.6042 227.565 -414.95 GPRESSURE: 2670400 -100.759 -8.74892 -37.228 1.16097 -26.0159 233.092 114.273 196.236 -353.376 PRESSAVG: 2670400 -32.3519 -44.4822 -16.2653 -44.4822 48.9687 -5.14767 -16.2653 -5.14772 14.7531 GPRESSAVG: 2670400 -33.1891 -45.4655 -14.7843 -44.5109 49.0394 -3.22136 -17.1349 -6.99121 16.0685 TIMING: 2670400 CPU: 8338.91, 0.00309738/step Wall: 8338.91, 0.00309738/step, 2.00435 hours remaining, 235.468750 MB of memory in use. ENERGY: 2670400 4034.2060 20426.5598 14477.7518 262.3689 -203393.7219 2867.2890 0.0000 0.0000 51989.5819 -109335.9646 298.7848 -161325.5465 -108972.0330 299.1476 -196.2574 -160.0503 760189.5883 10.4567 10.6396 PRESSURE: 2670600 -429.381 -61.2616 151.237 -61.2621 -205.89 -202.255 151.237 -202.255 -36.0476 GPRESSURE: 2670600 -415.886 36.4037 214.646 15.5643 -112.061 -204.456 68.6067 -58.3918 -22.8228 PRESSAVG: 2670600 -50.4243 -11.1365 64.5121 -11.1365 8.94145 -56.508 64.5121 -56.508 -8.79283 GPRESSAVG: 2670600 -50.684 -10.6375 62.267 -10.9304 9.26758 -55.7492 66.0941 -56.8819 -8.52192 TIMING: 2670600 CPU: 8339.53, 0.00309447/step Wall: 8339.53, 0.00309447/step, 2.00229 hours remaining, 235.468750 MB of memory in use. ENERGY: 2670600 3974.5117 20316.5265 14464.5675 264.0558 -203199.0358 2591.1306 0.0000 0.0000 52100.5667 -109487.6770 299.4227 -161588.2437 -109117.2068 298.7547 -223.7731 -183.5900 763316.8857 -16.7585 -16.6461 PRESSURE: 2670800 -132.066 264.921 145.454 264.921 -189.308 44.0333 145.454 44.0332 81.3353 GPRESSURE: 2670800 -110.158 196.051 245.75 173.787 -248.13 81.5551 68.9062 35.5468 199.462 PRESSAVG: 2670800 -11.479 -8.32451 -5.33279 -8.32445 15.1337 -35.5197 -5.33277 -35.5196 14.6813 GPRESSAVG: 2670800 -11.2601 -9.25761 -6.36674 -6.80448 14.824 -36.2626 -2.73039 -33.5187 14.4092 TIMING: 2670800 CPU: 8340.15, 0.0030861/step Wall: 8340.15, 0.0030861/step, 1.99671 hours remaining, 235.468750 MB of memory in use. ENERGY: 2670800 4058.0775 20386.1302 14478.8829 256.5586 -203013.5582 2713.4148 0.0000 0.0000 51964.3697 -109156.1246 298.6399 -161120.4943 -108794.7288 298.3974 -80.0129 -52.9421 762783.9045 6.1120 5.9910 PRESSURE: 2671000 186.889 -39.9367 -42.6894 -39.9373 -44.9378 150.059 -42.6894 150.059 -258.018 GPRESSURE: 2671000 146.439 -109.34 21.081 23.198 -20.6119 141.748 -153.616 15.1329 -162.516 PRESSAVG: 2671000 19.6991 98.2667 -66.3768 98.2667 -68.0697 13.3383 -66.3768 13.3383 -8.27928 GPRESSAVG: 2671000 19.4388 98.8346 -63.7306 96.8987 -68.1476 13.1286 -69.9437 10.6084 -7.58423 TIMING: 2671000 CPU: 8340.77, 0.00309946/step Wall: 8340.77, 0.00309947/step, 2.00518 hours remaining, 235.468750 MB of memory in use. ENERGY: 2671000 4055.4292 20561.0007 14484.5773 251.6895 -202908.0209 2465.9654 0.0000 0.0000 51955.8323 -109133.5264 298.5909 -161089.3588 -108778.5363 299.0154 -38.6888 -12.2298 762740.2873 -18.8833 -18.7643 PRESSURE: 2671200 -191.484 45.3921 -11.1943 45.3915 33.7671 154.669 -11.1934 154.669 26.4328 GPRESSURE: 2671200 -121.558 -53.2737 -75.8022 69.2414 163.483 147.207 37.5794 271.458 -65.6655 PRESSAVG: 2671200 -3.47219 67.5023 -35.9689 67.5023 1.00337 30.7106 -35.9689 30.7106 -3.07865 GPRESSAVG: 2671200 -3.61901 68.3752 -37.2773 68.3329 2.42033 28.1452 -35.3802 34.7762 -3.83144 TIMING: 2671200 CPU: 8341.39, 0.00309501/step Wall: 8341.39, 0.00309501/step, 2.00213 hours remaining, 235.468750 MB of memory in use. ENERGY: 2671200 3974.6288 20514.5149 14491.9330 242.7627 -203008.2803 2375.5657 0.0000 0.0000 52236.6903 -109172.1850 300.2050 -161408.8753 -108811.9963 299.4199 -43.7614 -7.9133 761418.9714 -1.8492 -1.6767 PRESSURE: 2671400 -298.628 -188.26 -12.6682 -188.259 435.599 -12.7452 -12.669 -12.7455 -68.8732 GPRESSURE: 2671400 -230.506 -189.859 19.5881 -70.8596 398.729 -15.4242 55.3601 -123.971 0.765654 PRESSAVG: 2671400 -17.96 16.3353 33.5564 16.3354 25.9919 38.6927 33.5564 38.6927 4.50307 GPRESSAVG: 2671400 -16.1285 16.1236 33.8435 16.4553 24.2207 40.954 34.4275 36.4589 3.84453 TIMING: 2671400 CPU: 8342.01, 0.00310102/step Wall: 8342.01, 0.00310102/step, 2.00584 hours remaining, 235.468750 MB of memory in use. ENERGY: 2671400 3976.2827 20493.1570 14549.6233 256.6496 -203397.9401 2818.5846 0.0000 0.0000 52032.2095 -109271.4333 299.0298 -161303.6428 -108907.6523 299.2560 22.6994 56.3298 762347.5015 4.1783 3.9789 PRESSURE: 2671600 -340.357 97.5601 -169.819 97.5595 -250.816 35.5644 -169.819 35.5642 -269.725 GPRESSURE: 2671600 -292.283 46.0287 -135.274 80.6756 -207.33 110.227 -341.041 89.0851 -291.905 PRESSAVG: 2671600 -30.9603 -18.8331 -30.0666 -18.8331 51.4647 -16.8953 -30.0666 -16.8952 3.17083 GPRESSAVG: 2671600 -33.7585 -18.0176 -31.3347 -19.7657 53.2217 -15.6475 -31.9125 -15.3457 3.37153 TIMING: 2671600 CPU: 8342.63, 0.00309421/step Wall: 8342.63, 0.00309421/step, 2.00126 hours remaining, 235.468750 MB of memory in use. ENERGY: 2671600 4032.3055 20430.0325 14408.8465 259.3435 -202994.0224 2675.7550 0.0000 0.0000 52039.8480 -109147.8915 299.0737 -161187.7395 -108792.2824 299.0305 -286.9660 -263.8393 764474.1448 7.8917 7.6116 PRESSURE: 2671800 -94.7078 -73.779 -223.126 -73.7791 -232.711 191.51 -223.127 191.51 -71.7004 GPRESSURE: 2671800 -11.0323 -47.5447 -235.75 -19.9763 -202.406 123.929 -172.914 161.154 -102.076 PRESSAVG: 2671800 -6.22838 -11.3014 -47.0812 -11.3014 17.5757 -17.5636 -47.0812 -17.5635 -0.172999 GPRESSAVG: 2671800 -3.68279 -14.5633 -46.5334 -10.2292 15.3386 -17.2953 -46.0108 -18.3371 -0.440391 TIMING: 2671800 CPU: 8343.25, 0.00310683/step Wall: 8343.25, 0.00310683/step, 2.00926 hours remaining, 235.468750 MB of memory in use. ENERGY: 2671800 4029.6799 20508.7971 14491.7720 246.8676 -202552.6339 2338.2252 0.0000 0.0000 51735.1451 -109202.1470 297.3226 -160937.2921 -108840.9571 299.2524 -133.0398 -105.1712 763563.6648 3.7248 3.7385 PRESSURE: 2672000 -364.842 237.391 49.0299 237.391 -84.0819 -12.333 49.0298 -12.3325 160.898 GPRESSURE: 2672000 -308.807 106.964 81.1855 307.142 -53.7025 -107.066 61.3092 40.5649 175.98 PRESSAVG: 2672000 -17.2283 43.48 2.52648 43.48 38.549 24.5443 2.52652 24.5442 -27.9995 GPRESSAVG: 2672000 -18.6134 45.5244 3.55957 41.6856 40.0176 22.6215 3.14244 25.8334 -27.7233 TIMING: 2672000 CPU: 8343.87, 0.00312873/step Wall: 8343.87, 0.00312873/step, 2.02325 hours remaining, 235.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2672000 3961.4729 20365.6401 14483.7104 253.5635 -202881.1497 2528.1877 0.0000 0.0000 51977.4979 -109311.0772 298.7154 -161288.5751 -108939.0730 299.2411 -96.0087 -62.1764 763671.7672 -2.2263 -2.1064 PRESSURE: 2672200 -112.273 -89.7353 -108.202 -89.7364 -270.926 41.4418 -108.202 41.4415 -380.783 GPRESSURE: 2672200 -156.645 -115.229 -129.89 -24.4669 -183.353 -16.0951 -147.276 -73.0176 -337.134 PRESSAVG: 2672200 -15.0693 90.6789 -15.3038 90.6789 7.79314 24.0242 -15.3037 24.0242 21.5798 GPRESSAVG: 2672200 -15.3225 93.4401 -16.8559 91.9594 7.51818 23.6278 -15.4914 21.653 22.2803 TIMING: 2672200 CPU: 8344.5, 0.00311373/step Wall: 8344.5, 0.00311373/step, 2.01337 hours remaining, 235.468750 MB of memory in use. ENERGY: 2672200 4039.1405 20462.2373 14482.1962 231.1304 -203350.5211 2703.1692 0.0000 0.0000 52221.6255 -109211.0220 300.1184 -161432.6474 -108833.6218 298.9782 -254.6605 -225.7106 763778.0311 4.7679 4.8253 LDB: ============= START OF LOAD BALANCING ============== 8356.98 LDB: ============== END OF LOAD BALANCING =============== 8356.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8356.98 LDB: ============= START OF LOAD BALANCING ============== 8357.3 LDB: Largest compute 7064 load 0.031530 is 16.2% of average load 0.195097 LDB: Average compute 0.004415 is 2.3% of average load 0.195097 LDB: TIME 8357.3 LOAD: AVG 0.195097 MAX 0.212357 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.793 MB LDB: TIME 8357.3 LOAD: AVG 0.195097 MAX 0.212357 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.793 MB LDB: TIME 8357.3 LOAD: AVG 0.195097 MAX 0.212357 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.793 MB LDB: ============== END OF LOAD BALANCING =============== 8357.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8357.31 PRESSURE: 2672400 -174.098 242.822 -73.095 242.821 -102.476 -75.6869 -73.0942 -75.6884 -96.2486 GPRESSURE: 2672400 -195.908 149.231 -76.722 245.163 -22.2713 -25.4462 -90.0334 66.8469 -58.454 PRESSAVG: 2672400 48.5111 40.4373 12.4583 40.4374 -10.0424 -16.0228 12.4584 -16.0228 11.0527 GPRESSAVG: 2672400 48.3361 39.2662 12.2347 38.686 -9.01673 -15.7413 12.8724 -15.0814 10.4822 TIMING: 2672400 CPU: 8345.14, 0.00322666/step Wall: 8345.14, 0.00322666/step, 2.08621 hours remaining, 233.597656 MB of memory in use. ENERGY: 2672400 4036.9726 20553.5091 14492.5537 230.7424 -203247.4363 2747.6094 0.0000 0.0000 51936.6790 -109249.3700 298.4808 -161186.0491 -108885.3471 299.0237 -124.2741 -92.2112 764575.7581 16.5071 16.6005 PRESSURE: 2672600 241.095 -55.7894 -8.22051 -55.7896 -70.4845 -343.876 -8.22068 -343.877 -275.263 GPRESSURE: 2672600 282.088 -99.0335 -3.67016 -93.1212 -107.668 -277.752 -66.8219 -168.252 -186.554 PRESSAVG: 2672600 11.183 -17.924 3.54831 -17.9239 -7.49878 3.52378 3.54843 3.52374 -16.0404 GPRESSAVG: 2672600 12.3241 -19.0567 4.15936 -17.7197 -8.51905 2.4349 0.539121 4.91412 -16.1027 TIMING: 2672600 CPU: 8345.76, 0.00310482/step Wall: 8345.76, 0.00310482/step, 2.00727 hours remaining, 233.597656 MB of memory in use. ENERGY: 2672600 3891.5729 20506.9394 14450.4814 253.6956 -202887.4697 2302.2359 0.0000 0.0000 52112.1741 -109370.3704 299.4894 -161482.5444 -108998.6739 298.7637 -34.8840 -4.0445 763721.2854 -4.1187 -4.0992 PRESSURE: 2672800 -86.5005 -116.667 144.777 -116.667 69.6259 14.5562 144.776 14.5571 49.2321 GPRESSURE: 2672800 -33.7093 -119.604 130.32 -36.9682 62.4358 68.0537 64.5485 -113.801 83.0585 PRESSAVG: 2672800 14.3865 49.1394 0.907725 49.1394 -22.2808 56.7172 0.907675 56.7171 -0.645342 GPRESSAVG: 2672800 13.766 48.7791 0.700374 51.4829 -22.2565 58.9862 3.18279 55.372 -0.0925088 TIMING: 2672800 CPU: 8346.39, 0.00312699/step Wall: 8346.39, 0.00312699/step, 2.02142 hours remaining, 233.597656 MB of memory in use. ENERGY: 2672800 3957.7680 20333.3266 14496.1113 274.6253 -203178.9239 2854.0315 0.0000 0.0000 51898.9579 -109364.1034 298.2640 -161263.0612 -109002.5389 298.2595 10.7858 37.2616 763054.4031 -2.8466 -2.8610 PRESSURE: 2673000 45.1906 -12.3309 -208.406 -12.3305 -40.7018 90.596 -208.405 90.595 323.736 GPRESSURE: 2673000 110.497 -1.90446 -170.506 -104.622 -41.2943 -1.67667 -208.81 194.273 357.852 PRESSAVG: 2673000 51.0621 40.5992 -5.09028 40.5993 -77.0979 19.9365 -5.09021 19.9365 -17.0939 GPRESSAVG: 2673000 51.0332 40.4227 -4.7294 37.893 -77.1958 18.4933 -3.29092 18.5023 -17.282 TIMING: 2673000 CPU: 8347.01, 0.00311951/step Wall: 8347.01, 0.00311951/step, 2.01642 hours remaining, 233.597656 MB of memory in use. ENERGY: 2673000 3990.0176 20449.4827 14438.9750 257.2193 -203495.1162 2965.9058 0.0000 0.0000 52224.9305 -109168.5851 300.1374 -161393.5157 -108803.1596 298.7956 109.4082 142.3518 761865.9634 -14.3765 -14.4815 PRESSURE: 2673200 201.183 163.453 250.571 163.453 390.82 -244.792 250.572 -244.792 -271.799 GPRESSURE: 2673200 203.567 130.464 235.932 10.3516 408.967 -199.312 142.274 -287.204 -219.253 PRESSAVG: 2673200 22.3616 -13.6926 20.747 -13.6926 -23.219 65.6679 20.7469 65.6679 13.5819 GPRESSAVG: 2673200 22.9924 -14.274 20.7526 -12.2065 -23.4173 66.5671 18.2139 66.9735 13.1408 TIMING: 2673200 CPU: 8347.63, 0.00311044/step Wall: 8347.63, 0.00311044/step, 2.01038 hours remaining, 233.597656 MB of memory in use. ENERGY: 2673200 3990.0091 20572.5380 14468.8707 290.4610 -203547.4542 2919.7123 0.0000 0.0000 52190.9496 -109114.9136 299.9421 -161305.8632 -108756.8627 299.0700 106.7345 131.0935 761975.2336 4.2415 4.2386 PRESSURE: 2673400 -344.851 -79.6223 -31.6706 -79.6226 37.7078 -88.8773 -31.6713 -88.8775 -433.552 GPRESSURE: 2673400 -254.681 49.1194 -7.183 -163.331 -9.81435 -101.765 14.7932 -42.9361 -380.219 PRESSAVG: 2673400 5.46361 7.07711 40.9945 7.07715 -24.0613 14.5503 40.9946 14.5503 -7.91507 GPRESSAVG: 2673400 5.50856 10.5951 39.627 5.40698 -23.8395 14.4159 42.3798 12.437 -7.80509 TIMING: 2673400 CPU: 8348.25, 0.00310284/step Wall: 8348.25, 0.00310284/step, 2.0053 hours remaining, 233.597656 MB of memory in use. ENERGY: 2673400 4014.1113 20526.6787 14425.4370 237.2674 -203187.0641 2655.3609 0.0000 0.0000 52238.5554 -109089.6535 300.2157 -161328.2089 -108735.2111 299.5033 -246.8985 -214.9049 762743.8499 -8.8376 -8.7120 PRESSURE: 2673600 395.23 -80.0533 -73.3309 -80.0536 176.734 -158.486 -73.3305 -158.485 74.7448 GPRESSURE: 2673600 410.248 -108.606 -157.23 -21.7435 232.762 -131.764 -61.9424 -250.594 104.087 PRESSAVG: 2673600 87.0549 -29.4164 40.4507 -29.4164 -39.6963 10.3071 40.4507 10.3072 17.5465 GPRESSAVG: 2673600 87.512 -30.5242 43.1285 -28.4512 -39.7494 9.43184 39.7231 11.7548 17.2436 TIMING: 2673600 CPU: 8348.87, 0.00310546/step Wall: 8348.87, 0.00310546/step, 2.00681 hours remaining, 233.597656 MB of memory in use. ENERGY: 2673600 4000.8291 20504.5403 14445.1667 220.0434 -203288.8755 2894.8044 0.0000 0.0000 52122.6080 -109100.8836 299.5493 -161223.4916 -108741.7536 299.7099 215.5696 249.0324 762027.6271 21.6350 21.6687 PRESSURE: 2673800 -38.588 -146.889 -42.7707 -146.888 -148.712 36.8539 -42.7721 36.8531 -191.58 GPRESSURE: 2673800 -10.4625 -136.26 -21.6764 -193.575 -100.914 20.7509 -41.0419 -79.0798 -176.22 PRESSAVG: 2673800 10.2987 -42.538 -66.8452 -42.538 -9.9924 -18.3569 -66.8452 -18.357 25.3732 GPRESSAVG: 2673800 8.66663 -42.7233 -68.928 -42.018 -9.48686 -16.5075 -66.2091 -19.9702 26.0414 TIMING: 2673800 CPU: 8349.5, 0.00312834/step Wall: 8349.5, 0.00312833/step, 2.02143 hours remaining, 233.597656 MB of memory in use. ENERGY: 2673800 4016.1752 20513.1811 14467.9425 239.4181 -203063.1172 2646.1991 0.0000 0.0000 51976.3735 -109203.8277 298.7089 -161180.2012 -108845.5117 299.4015 -126.2935 -95.8655 762848.0338 8.5598 8.4071 PRESSURE: 2674000 -135.331 -165.528 -320.211 -165.528 -49.2951 114.069 -320.21 114.07 66.4162 GPRESSURE: 2674000 -95.3897 -73.1178 -310.517 -167.822 -24.324 121.492 -388.283 54.4885 92.2506 PRESSAVG: 2674000 59.6198 14.7512 -12.4216 14.7511 1.70937 44.1314 -12.4217 44.1312 13.7622 GPRESSAVG: 2674000 59.8245 14.1617 -11.3117 14.4148 1.00779 45.3013 -13.5291 44.7754 14.4016 TIMING: 2674000 CPU: 8350.12, 0.00310601/step Wall: 8350.12, 0.00310601/step, 2.00683 hours remaining, 233.597656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2674000 3984.0672 20416.1082 14404.3512 248.7239 -202970.1232 2723.8907 0.0000 0.0000 51871.9913 -109320.9906 298.1090 -161192.9819 -108956.3844 299.1420 -39.4032 -9.1544 762520.5931 25.0305 25.0780 PRESSURE: 2674200 117.247 158.692 -174.656 158.692 -318.436 -197.696 -174.656 -197.695 -506.445 GPRESSURE: 2674200 140.565 192.166 -221.079 170.358 -297.32 -207.465 -141.583 -218.317 -457.093 PRESSAVG: 2674200 29.7057 15.9927 -2.1501 15.9927 -52.7788 59.7131 -2.15008 59.7131 -0.458999 GPRESSAVG: 2674200 29.0383 16.4136 -1.60395 15.6738 -52.9488 56.5233 -0.734875 61.4582 -0.0478774 TIMING: 2674200 CPU: 8350.74, 0.00311099/step Wall: 8350.74, 0.00311099/step, 2.00987 hours remaining, 233.597656 MB of memory in use. ENERGY: 2674200 4072.6108 20422.4869 14500.3071 250.6980 -203082.1623 2588.9790 0.0000 0.0000 51984.4467 -109262.6339 298.7553 -161247.0806 -108897.0629 298.8000 -235.8782 -204.6159 763131.9315 -7.8440 -7.9861 PRESSURE: 2674400 -218.715 266.502 -107.609 266.501 10.0357 -114.943 -107.607 -114.942 89.9041 GPRESSURE: 2674400 -124.219 269.153 -4.24938 218.249 -47.9134 -99.5914 33.8335 -33.0235 114.383 PRESSAVG: 2674400 8.90583 2.67505 60.4644 2.67504 -24.3395 8.04234 60.4644 8.04235 2.814 GPRESSAVG: 2674400 10.5161 2.78667 61.2627 2.37191 -25.5829 9.46031 59.1531 8.94595 1.82779 TIMING: 2674400 CPU: 8351.37, 0.00312703/step Wall: 8351.37, 0.00312703/step, 2.02006 hours remaining, 233.597656 MB of memory in use. ENERGY: 2674400 3959.9596 20591.6233 14429.3586 251.5601 -203383.9758 2706.4485 0.0000 0.0000 52216.5924 -109228.4333 300.0895 -161445.0257 -108866.1496 299.4298 -39.5918 -19.2499 763052.1045 -4.2066 -4.4130 PRESSURE: 2674600 42.7941 163.569 49.6237 163.568 40.546 -1.22747 49.6232 -1.2271 147.48 GPRESSURE: 2674600 152.174 104.359 40.0706 138.597 45.5152 29.9747 144.282 -85.3886 119.177 PRESSAVG: 2674600 -0.766233 37.0461 2.60819 37.0462 25.9213 10.5626 2.60827 10.5626 8.21764 GPRESSAVG: 2674600 -1.7806 35.6881 0.827542 37.327 26.8196 11.1945 3.64944 7.27264 8.3399 TIMING: 2674600 CPU: 8351.99, 0.00312603/step Wall: 8351.99, 0.00312603/step, 2.01924 hours remaining, 233.597656 MB of memory in use. ENERGY: 2674600 3982.3908 20438.2464 14512.7030 245.0833 -203119.7423 2452.3994 0.0000 0.0000 52122.0198 -109366.8997 299.5460 -161488.9195 -108998.4080 298.9393 76.9402 105.6220 762628.0858 11.1242 11.1263 PRESSURE: 2674800 -350.348 142.406 104.36 142.406 83.1161 71.1967 104.359 71.1966 339.461 GPRESSURE: 2674800 -204.232 83.1386 129.595 149.06 97.7303 -55.0368 -78.753 41.8183 281.439 PRESSAVG: 2674800 34.2598 13.9319 -14.3401 13.9318 -70.982 50.6749 -14.3402 50.6748 0.248013 GPRESSAVG: 2674800 35.0328 14.3149 -14.589 11.9402 -72.572 51.5124 -14.1319 51.3919 1.43624 TIMING: 2674800 CPU: 8352.63, 0.00317117/step Wall: 8352.63, 0.00317117/step, 2.04823 hours remaining, 233.597656 MB of memory in use. ENERGY: 2674800 4002.4841 20652.2095 14440.5926 259.7283 -203482.9831 2884.7188 0.0000 0.0000 52127.1647 -109116.0852 299.5755 -161243.2499 -108756.0876 299.4158 24.0763 58.3127 763762.8026 -12.1581 -12.0343 PRESSURE: 2675000 23.0545 -270.581 116.915 -270.582 251.015 -147.422 116.915 -147.422 179.668 GPRESSURE: 2675000 82.9019 -168.426 97.3838 -185.778 276.383 -190.857 81.6501 -145.779 180.657 PRESSAVG: 2675000 4.12927 -19.5045 26.6979 -19.5044 -35.0625 -78.9471 26.6979 -78.9471 11.354 GPRESSAVG: 2675000 2.76328 -19.5142 25.3221 -17.2721 -32.5291 -78.9052 27.5931 -78.5852 10.3475 TIMING: 2675000 CPU: 8353.26, 0.00314802/step Wall: 8353.26, 0.00314802/step, 2.0331 hours remaining, 233.597656 MB of memory in use. ENERGY: 2675000 3987.6349 20514.0774 14477.8882 255.2763 -203421.7223 3021.1958 0.0000 0.0000 51950.8873 -109214.7624 298.5625 -161165.6497 -108843.0490 299.6658 151.2459 179.9804 762334.7864 -6.5264 -6.4728 PRESSURE: 2675200 -84.3232 100.326 -35.5642 100.327 52.2848 -87.2176 -35.5646 -87.2167 -299.742 GPRESSURE: 2675200 -66.5906 76.9258 60.8042 37.9335 88.3329 -159.903 -58.8072 -23.8332 -281.142 PRESSAVG: 2675200 3.28617 2.89977 -21.8729 2.89976 -17.6308 -24.0143 -21.8729 -24.0144 -4.86025 GPRESSAVG: 2675200 3.55878 1.82594 -19.9537 4.22843 -18.3577 -24.4023 -22.7365 -22.7237 -4.71082 TIMING: 2675200 CPU: 8353.88, 0.00311714/step Wall: 8353.88, 0.00311714/step, 2.01298 hours remaining, 233.597656 MB of memory in use. ENERGY: 2675200 3970.6140 20461.0620 14519.5928 245.3036 -203000.1836 2494.2867 0.0000 0.0000 52015.9045 -109293.4200 298.9361 -161309.3245 -108937.2282 299.4858 -110.5933 -86.4664 761327.9943 -6.4016 -6.5032 PRESSURE: 2675400 -180.623 -267.206 -123.964 -267.206 -2.0398 152.793 -123.964 152.793 66.1382 GPRESSURE: 2675400 -118.342 -283.064 -142.625 -180.913 -5.89091 226.861 -52.5084 147.244 95.6923 PRESSAVG: 2675400 -11.522 16.1509 -7.09197 16.1509 39.6943 28.6454 -7.09193 28.6455 21.1312 GPRESSAVG: 2675400 -10.5317 15.3357 -7.52204 15.8727 39.1399 27.7483 -7.10981 29.8693 20.8884 TIMING: 2675400 CPU: 8354.51, 0.00311972/step Wall: 8354.51, 0.00311972/step, 2.01447 hours remaining, 233.597656 MB of memory in use. ENERGY: 2675400 4067.5896 20423.0261 14499.0082 257.0743 -203296.4133 2691.9220 0.0000 0.0000 51867.3825 -109490.4106 298.0826 -161357.7931 -109133.9432 299.1147 -38.8417 -9.5135 761480.1251 16.4345 16.4989 PRESSURE: 2675600 -39.8907 -21.934 -127.84 -21.9347 16.9423 -229.891 -127.841 -229.891 166.179 GPRESSURE: 2675600 44.457 26.0361 -127.854 34.4838 7.34319 -240.088 -187.607 -223.768 176.273 PRESSAVG: 2675600 16.7874 -7.61901 0.0950398 -7.61904 8.2 25.4208 0.0949821 25.4209 -22.1707 GPRESSAVG: 2675600 16.9148 -7.0455 0.526876 -8.181 8.48004 25.8613 -1.12664 23.859 -22.5173 TIMING: 2675600 CPU: 8355.13, 0.00310313/step Wall: 8355.13, 0.00310313/step, 2.00359 hours remaining, 233.597656 MB of memory in use. ENERGY: 2675600 4033.9400 20696.6437 14480.4772 239.3769 -203721.0196 2736.5677 0.0000 0.0000 51972.2340 -109561.7800 298.6851 -161534.0140 -109209.8444 298.5117 47.7435 76.0243 760156.0115 0.9389 0.9592 PRESSURE: 2675800 -114.373 -99.9629 -76.9847 -99.962 22.6289 -35.8699 -76.9863 -35.8705 -82.785 GPRESSURE: 2675800 -106.843 -9.89329 -48.7275 -115.153 -19.4271 -46.2293 55.4418 -71.3691 26.4301 PRESSAVG: 2675800 -19.7409 -41.4558 -26.4863 -41.4558 24.0186 7.42106 -26.4863 7.42101 11.827 GPRESSAVG: 2675800 -19.5757 -40.6677 -28.3051 -42.1487 23.7201 7.60582 -25.4379 6.02686 11.9614 TIMING: 2675800 CPU: 8355.75, 0.00310298/step Wall: 8355.75, 0.00310299/step, 2.00332 hours remaining, 233.597656 MB of memory in use. ENERGY: 2675800 4005.6342 20590.0929 14502.7960 228.3454 -203413.6126 2554.8496 0.0000 0.0000 51980.6569 -109551.2376 298.7335 -161531.8946 -109188.2880 298.7447 -58.1764 -33.2801 761206.8402 5.3682 5.3686 PRESSURE: 2676000 -32.3933 -9.92107 169.135 -9.92104 -25.3313 -281.163 169.136 -281.163 -227.065 GPRESSURE: 2676000 40.9238 -21.8505 171.216 -88.0761 -5.79941 -323.638 242.133 -215.108 -254.959 PRESSAVG: 2676000 8.14859 -13.509 5.47696 -13.509 -2.86315 27.4752 5.47695 27.4751 12.5017 GPRESSAVG: 2676000 6.54425 -14.8155 6.54198 -13.9364 -1.14496 26.5349 4.76989 28.531 11.9295 TIMING: 2676000 CPU: 8356.37, 0.0031125/step Wall: 8356.37, 0.0031125/step, 2.00929 hours remaining, 233.597656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2676000 4079.3742 20451.9567 14518.3910 248.5140 -203351.4302 2599.1959 0.0000 0.0000 52021.8796 -109432.1189 298.9705 -161453.9985 -109062.6255 298.8306 -94.9299 -73.2782 762673.7814 5.9290 5.7763 PRESSURE: 2676200 48.0352 -22.8789 48.0873 -22.8793 85.0387 -15.5914 48.087 -15.5907 592.678 GPRESSURE: 2676200 63.6826 -14.8998 86.9143 -22.7229 235.289 -55.5567 52.7607 73.9149 495.872 PRESSAVG: 2676200 20.5084 -24.5961 -0.475575 -24.596 41.2837 -48.7013 -0.475477 -48.7013 0.325018 GPRESSAVG: 2676200 22.1491 -24.427 0.720836 -23.6469 40.5913 -47.5322 -0.120071 -48.9356 -0.189643 TIMING: 2676200 CPU: 8356.99, 0.00312153/step Wall: 8356.99, 0.00312153/step, 2.01495 hours remaining, 233.597656 MB of memory in use. ENERGY: 2676200 3970.4599 20509.0979 14489.6781 239.9015 -203608.9678 3119.5059 0.0000 0.0000 51777.1957 -109503.1287 297.5643 -161280.3244 -109153.6947 298.7180 241.9172 264.9480 761899.9768 20.7057 20.8503 LDB: ============= START OF LOAD BALANCING ============== 8369.47 LDB: ============== END OF LOAD BALANCING =============== 8369.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8369.48 LDB: ============= START OF LOAD BALANCING ============== 8369.79 LDB: Largest compute 7064 load 0.032223 is 16.5% of average load 0.195142 LDB: Average compute 0.004423 is 2.3% of average load 0.195142 LDB: TIME 8369.79 LOAD: AVG 0.195142 MAX 0.211697 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.648 MB LDB: TIME 8369.79 LOAD: AVG 0.195142 MAX 0.211697 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.664 MB LDB: TIME 8369.79 LOAD: AVG 0.195142 MAX 0.211697 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.664 MB LDB: ============== END OF LOAD BALANCING =============== 8369.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8369.8 PRESSURE: 2676400 -299.96 -52.4312 92.892 -52.4319 -36.7426 203.964 92.8923 203.964 -171.142 GPRESSURE: 2676400 -280.728 63.5222 117.121 -143.932 67.8708 172.657 110.363 151.167 -195.722 PRESSAVG: 2676400 -58.1188 5.24886 9.4996 5.24886 25.1602 19.787 9.49957 19.7871 -5.89432 GPRESSAVG: 2676400 -59.3304 5.59261 9.94225 5.39202 25.7438 18.44 8.99569 20.1043 -4.63521 TIMING: 2676400 CPU: 8357.63, 0.00320104/step Wall: 8357.63, 0.00320104/step, 2.06609 hours remaining, 234.476562 MB of memory in use. ENERGY: 2676400 3970.3408 20535.8957 14505.1989 243.9156 -203598.4171 2917.1904 0.0000 0.0000 51857.6935 -109568.1822 298.0269 -161425.8757 -109207.6907 298.8082 -169.2815 -136.1932 762396.7965 -12.9510 -12.7406 PRESSURE: 2676600 86.783 18.8256 -156.944 18.8253 248.132 -63.233 -156.944 -63.2325 267.719 GPRESSURE: 2676600 123.982 70.2696 -200.745 -87.3733 275.487 -126.469 -94.0386 -166.9 287.658 PRESSAVG: 2676600 -15.9154 18.7138 -5.82315 18.7137 38.8591 -0.380296 -5.82317 -0.380279 -12.2921 GPRESSAVG: 2676600 -16.3856 19.7766 -6.44639 17.1066 37.9409 0.705472 -4.91569 -2.72932 -11.6279 TIMING: 2676600 CPU: 8358.25, 0.00310403/step Wall: 8358.25, 0.00310403/step, 2.00331 hours remaining, 234.679688 MB of memory in use. ENERGY: 2676600 3967.5559 20377.4974 14545.0674 257.3805 -203730.5176 2867.9717 0.0000 0.0000 52165.3682 -109549.6766 299.7951 -161715.0447 -109190.4098 298.6105 200.8778 229.0425 759344.3205 3.5505 3.3092 PRESSURE: 2676800 101.942 235.189 -225.468 235.189 -372.042 116.903 -225.468 116.904 -304.002 GPRESSURE: 2676800 150.244 231.901 -216.456 151.094 -352.089 188.597 -89.978 103.252 -295.007 PRESSAVG: 2676800 2.04819 50.071 -41.1934 50.071 -28.5255 15.355 -41.1934 15.355 19.9633 GPRESSAVG: 2676800 3.1198 49.6684 -43.1807 50.3378 -28.1311 14.7547 -40.6702 17.9327 19.4963 TIMING: 2676800 CPU: 8358.88, 0.00310499/step Wall: 8358.88, 0.00310499/step, 2.00376 hours remaining, 234.679688 MB of memory in use. ENERGY: 2676800 4000.6060 20426.1613 14431.8146 260.9946 -203130.5315 2581.4899 0.0000 0.0000 52064.9394 -109364.5258 299.2179 -161429.4652 -108997.1488 298.8051 -191.3673 -165.6176 764893.1934 -2.1713 -1.8384 PRESSURE: 2677000 11.2557 -26.7669 62.9292 -26.7666 80.6152 41.2442 62.9291 41.2447 -374.579 GPRESSURE: 2677000 10.6779 35.2177 157.882 66.9392 77.0887 45.4303 -3.71166 167.47 -310.251 PRESSAVG: 2677000 7.77042 7.7714 35.6536 7.77144 -16.264 43.607 35.6536 43.607 24.9586 GPRESSAVG: 2677000 6.17237 9.01039 37.8745 6.4128 -15.4054 42.6302 33.9079 46.176 25.5113 TIMING: 2677000 CPU: 8359.5, 0.00310099/step Wall: 8359.5, 0.00310099/step, 2.001 hours remaining, 234.679688 MB of memory in use. ENERGY: 2677000 3968.0987 20559.6787 14502.1597 241.9427 -203772.6617 2998.2129 0.0000 0.0000 52212.6510 -109289.9179 300.0668 -161502.5689 -108932.4407 299.1849 -94.2359 -74.1615 763739.5628 5.4883 5.4261 PRESSURE: 2677200 -67.6964 -250.091 -63.6255 -250.09 -184.004 21.21 -63.6257 21.2086 -175.761 GPRESSURE: 2677200 -113.354 -184.059 -111.798 -295.19 -121.28 -45.674 -72.1347 -4.1717 -102.573 PRESSAVG: 2677200 11.8827 10.7794 -5.63008 10.7794 -19.757 20.0535 -5.63012 20.0535 -10.383 GPRESSAVG: 2677200 12.2472 10.6552 -6.77161 11.9387 -20.1493 21.4895 -3.54337 15.4557 -10.5273 TIMING: 2677200 CPU: 8360.12, 0.00310479/step Wall: 8360.12, 0.00310479/step, 2.00328 hours remaining, 234.679688 MB of memory in use. ENERGY: 2677200 4031.5759 20541.9590 14617.2560 261.6633 -203314.8853 2633.9452 0.0000 0.0000 52301.7001 -108926.7859 300.5786 -161228.4860 -108564.8310 299.6133 -142.4871 -112.4023 762204.3744 -6.0857 -6.1431 PRESSURE: 2677400 200.179 320.152 61.1656 320.152 371.905 69.1023 61.1651 69.1028 -17.1247 GPRESSURE: 2677400 220.717 255.281 48.4266 356.138 412.192 150.588 175.855 87.049 3.9772 PRESSAVG: 2677400 5.23931 18.4438 29.1588 18.4438 4.09772 -1.44895 29.1588 -1.44887 -5.73682 GPRESSAVG: 2677400 3.98246 16.8349 29.2649 20.1001 4.69857 -2.22216 27.1953 1.09381 -5.11703 TIMING: 2677400 CPU: 8360.73, 0.00308464/step Wall: 8360.73, 0.00308464/step, 1.99011 hours remaining, 234.679688 MB of memory in use. ENERGY: 2677400 4004.6798 20609.3034 14523.1432 269.1842 -203659.2611 3010.6052 0.0000 0.0000 52255.1454 -108987.2000 300.3110 -161242.3454 -108627.4069 300.0913 184.9864 212.2956 762329.1481 1.2001 1.1880 PRESSURE: 2677600 -103.085 -13.8628 -217.848 -13.8623 244.261 329.018 -217.849 329.018 -378.065 GPRESSURE: 2677600 -100.378 47.9143 -126.52 -52.7853 252.46 346.578 -71.6781 131.36 -317.778 PRESSAVG: 2677600 -2.2318 -41.4109 52.5408 -41.4109 69.9334 -1.45651 52.5407 -1.45655 19.9336 GPRESSAVG: 2677600 -1.32584 -40.331 52.3087 -43.671 68.4472 0.046982 54.3781 -3.31697 19.9001 TIMING: 2677600 CPU: 8361.35, 0.00309198/step Wall: 8361.35, 0.00309198/step, 1.99467 hours remaining, 234.679688 MB of memory in use. ENERGY: 2677600 3981.1924 20648.0860 14569.5117 253.6029 -203505.6096 2865.3859 0.0000 0.0000 52187.2398 -109000.5909 299.9208 -161187.8307 -108644.8454 299.9553 -78.9627 -55.2323 761546.9349 29.2117 29.0072 PRESSURE: 2677800 285.235 -5.41376 337.993 -5.41336 126.843 -79.2629 337.994 -79.2638 212.59 GPRESSURE: 2677800 400.882 24.1057 345.362 128.369 129.351 -53.0301 240.936 8.72052 183.811 PRESSAVG: 2677800 -22.3665 -0.870973 24.0004 -0.87098 31.1303 -31.3584 24.0004 -31.3585 11.8459 GPRESSAVG: 2677800 -21.3745 -1.53191 24.455 0.992611 31.1173 -30.4421 22.8946 -30.9726 10.756 TIMING: 2677800 CPU: 8361.97, 0.00310432/step Wall: 8361.97, 0.00310432/step, 2.00246 hours remaining, 234.679688 MB of memory in use. ENERGY: 2677800 3899.9668 20559.0176 14525.6561 250.9102 -203445.5499 2839.6058 0.0000 0.0000 52419.8626 -108950.5308 301.2577 -161370.3934 -108585.0610 299.2204 208.2229 238.0147 759465.9548 6.8699 6.8329 PRESSURE: 2678000 -400.532 223.943 -72.8827 223.942 -268.072 223.974 -72.8829 223.973 -87.0938 GPRESSURE: 2678000 -354.671 204.999 -87.6969 63.2231 -161.63 223.595 -27.0863 97.3132 -130.249 PRESSAVG: 2678000 42.467 52.5854 27.8082 52.5855 -22.0641 -13.5103 27.8082 -13.5103 7.63042 GPRESSAVG: 2678000 40.557 53.4116 29.0912 52.2764 -20.9141 -13.3602 28.959 -15.2043 8.31943 TIMING: 2678000 CPU: 8362.59, 0.00310275/step Wall: 8362.59, 0.00310275/step, 2.00127 hours remaining, 234.679688 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: 2678000 4012.4566 20581.3891 14485.9013 241.9976 -202943.8660 2616.2239 0.0000 0.0000 52089.8513 -108916.0462 299.3611 -161005.8975 -108541.0572 299.8123 -251.8991 -215.5165 762477.5347 9.3444 9.3208 PRESSURE: 2678200 -65.4552 1.07653 100.818 1.07617 -7.43893 -49.7358 100.818 -49.7361 10.2175 GPRESSURE: 2678200 -11.3472 -53.6454 76.7102 -36.0206 15.6735 -72.3374 201.856 -113.381 17.7757 PRESSAVG: 2678200 27.1125 -1.1008 5.03992 -1.10079 -54.9352 -56.0537 5.0399 -56.0538 10.8593 GPRESSAVG: 2678200 27.3124 -1.73504 4.75471 -2.39414 -54.6438 -58.0013 4.85024 -53.1933 10.1197 TIMING: 2678200 CPU: 8363.22, 0.00311043/step Wall: 8363.22, 0.00311043/step, 2.00606 hours remaining, 234.679688 MB of memory in use. ENERGY: 2678200 4011.7767 20555.4069 14517.8240 213.8239 -203320.6893 2666.3000 0.0000 0.0000 52212.6424 -109142.9155 300.0668 -161355.5578 -108773.5843 299.7992 -20.8922 7.3673 761412.7738 -5.6545 -5.7372 PRESSURE: 2678400 15.6372 -137.462 -49.5166 -137.462 100.559 -155.124 -49.5176 -155.123 309.885 GPRESSURE: 2678400 122.608 -214.572 -110.244 -171.709 77.0408 -178.996 -75.0933 -97.1452 322.033 PRESSAVG: 2678400 -29.8957 12.9998 26.3068 12.9999 59.4053 57.9555 26.3068 57.9554 27.9513 GPRESSAVG: 2678400 -28.3383 10.9041 25.7372 14.5973 58.7205 59.0891 27.2478 58.2284 27.6759 TIMING: 2678400 CPU: 8363.84, 0.00310542/step Wall: 8363.84, 0.00310542/step, 2.00265 hours remaining, 234.679688 MB of memory in use. ENERGY: 2678400 3976.8276 20506.4516 14586.3859 251.4295 -203505.6464 2917.1968 0.0000 0.0000 52365.2530 -108902.1020 300.9438 -161267.3550 -108532.7248 300.0060 142.0271 173.8942 761333.3284 19.1536 19.3527 PRESSURE: 2678600 -105.009 -95.5726 87.7559 -95.572 -177.799 129.719 87.7562 129.718 6.96501 GPRESSURE: 2678600 -119.963 -50.8692 20.0205 -88.6255 -96.6052 172.576 209.002 88.1625 32.7001 PRESSAVG: 2678600 13.9384 -14.4419 58.2741 -14.4419 10.6019 5.78759 58.274 5.78758 -14.4942 GPRESSAVG: 2678600 13.4464 -11.9926 58.7509 -15.5707 9.9781 4.40872 56.0443 4.82863 -13.2574 TIMING: 2678600 CPU: 8364.46, 0.0030986/step Wall: 8364.46, 0.0030986/step, 1.99808 hours remaining, 234.679688 MB of memory in use. ENERGY: 2678600 4019.0903 20389.4256 14532.1494 271.1819 -203303.8654 2700.8522 0.0000 0.0000 52385.8496 -109005.3164 301.0622 -161391.1659 -108634.0257 300.1303 -91.9475 -61.2894 761596.7253 3.3487 3.3890 PRESSURE: 2678800 -21.203 55.3265 -133.35 55.327 -14.537 61.016 -133.35 61.0159 -147.196 GPRESSURE: 2678800 -16.1523 -16.5246 -45.3696 24.5881 -49.9747 110.635 -95.4876 78.6267 -56.2834 PRESSAVG: 2678800 -80.8621 -14.7117 14.0442 -14.7117 50.34 -31.0801 14.0441 -31.0801 10.1138 GPRESSAVG: 2678800 -80.6671 -16.9231 16.0182 -13.2552 51.7466 -30.2405 13.0748 -31.397 8.7445 TIMING: 2678800 CPU: 8365.08, 0.00310282/step Wall: 8365.08, 0.00310282/step, 2.00063 hours remaining, 234.679688 MB of memory in use. ENERGY: 2678800 3958.8206 20456.4781 14418.1803 224.0546 -203288.3358 2830.7861 0.0000 0.0000 52266.6915 -109133.3246 300.3774 -161400.0161 -108757.5396 299.3003 -60.9787 -40.8034 763405.7083 -6.8028 -6.7253 PRESSURE: 2679000 -60.0769 -253.59 26.4096 -253.59 9.82722 -46.4044 26.4093 -46.4046 166.963 GPRESSURE: 2679000 24.1382 -207.043 26.7223 -251.474 69.5113 -59.0339 23.9386 -16.7279 96.8436 PRESSAVG: 2679000 -43.6258 -18.6927 12.165 -18.6927 81.3323 -33.0366 12.165 -33.0365 -7.1063 GPRESSAVG: 2679000 -44.2229 -16.717 11.119 -17.9483 81.3522 -33.26 13.2634 -31.9639 -6.59552 TIMING: 2679000 CPU: 8365.7, 0.0031016/step Wall: 8365.7, 0.0031016/step, 1.99967 hours remaining, 234.679688 MB of memory in use. ENERGY: 2679000 4048.2045 20491.9273 14543.8243 248.1937 -203285.0480 2836.3758 0.0000 0.0000 51741.8672 -109374.6552 297.3612 -161116.5224 -109015.9027 299.4088 38.9043 63.4977 761805.9450 10.2001 10.1779 PRESSURE: 2679200 -19.5242 171.491 23.9352 171.491 -247.476 -125.649 23.9357 -125.649 287.565 GPRESSURE: 2679200 -44.278 238.624 102.465 167.138 -157.284 -178.333 7.09105 -100.68 321.197 PRESSAVG: 2679200 9.58407 15.7959 42.3663 15.7959 63.9231 -9.07701 42.3663 -9.07704 0.659473 GPRESSAVG: 2679200 10.3325 14.0555 42.2277 14.5483 63.4777 -8.5981 42.4244 -8.60702 -0.0462139 TIMING: 2679200 CPU: 8366.32, 0.00310391/step Wall: 8366.32, 0.00310391/step, 2.00099 hours remaining, 234.679688 MB of memory in use. ENERGY: 2679200 3976.2075 20532.1096 14465.9311 234.2543 -202916.3252 2408.5921 0.0000 0.0000 51860.2053 -109439.0253 298.0413 -161299.2306 -109078.5973 298.6965 6.8549 39.8785 760749.5583 24.7222 24.5880 PRESSURE: 2679400 -197.852 -22.1937 30.781 -22.194 174.843 -12.7291 30.7804 -12.7295 -131.117 GPRESSURE: 2679400 -128.437 16.7787 117.761 -95.3627 108.031 -8.67358 -67.2096 -108.549 -43.2211 PRESSAVG: 2679400 -6.36767 -29.9624 57.1192 -29.9624 11.0769 -27.8052 57.1193 -27.8051 -18.0058 GPRESSAVG: 2679400 -7.27439 -28.3994 57.7886 -29.5891 10.6126 -28.3859 56.873 -27.8669 -17.5209 TIMING: 2679400 CPU: 8366.94, 0.00310913/step Wall: 8366.94, 0.00310913/step, 2.00418 hours remaining, 234.679688 MB of memory in use. ENERGY: 2679400 4028.7920 20348.7533 14512.3430 239.8639 -203294.9842 2710.4095 0.0000 0.0000 52097.2695 -109357.5530 299.4037 -161454.8225 -108990.7539 298.5867 -51.3755 -21.2088 761620.4688 -4.4322 -4.7276 PRESSURE: 2679600 -198.609 -141.346 238.293 -141.346 -105.551 74.3967 238.294 74.3972 -60.276 GPRESSURE: 2679600 -159.051 32.751 145.826 -89.7895 -92.4276 103.147 206.011 -83.6415 -45.747 PRESSAVG: 2679600 -24.2433 -53.0884 -21.1228 -53.0884 -4.95628 34.6852 -21.1228 34.6852 -5.49185 GPRESSAVG: 2679600 -23.7209 -51.6081 -22.1854 -53.0191 -4.82508 33.7855 -22.1336 34.0228 -6.33113 TIMING: 2679600 CPU: 8367.56, 0.00310394/step Wall: 8367.56, 0.00310394/step, 2.00066 hours remaining, 234.679688 MB of memory in use. ENERGY: 2679600 3980.0626 20376.7005 14440.6283 243.3462 -202862.2333 2442.2931 0.0000 0.0000 51978.6267 -109400.5760 298.7219 -161379.2028 -109044.7661 298.8719 -121.4787 -99.0751 762089.0540 -11.5638 -11.6257 PRESSURE: 2679800 -358.266 -234.295 143.182 -234.295 -239.922 71.0569 143.181 71.0551 -437.031 GPRESSURE: 2679800 -326.118 -56.6951 132.516 -170.896 -176.04 75.4033 155.496 31.7915 -446.529 PRESSAVG: 2679800 -51.5008 -15.6644 32.8057 -15.6644 40.2944 10.1501 32.8058 10.15 -4.5477 GPRESSAVG: 2679800 -51.5638 -16.8629 32.738 -16.4308 39.4415 11.0099 33.8669 10.4504 -3.33155 TIMING: 2679800 CPU: 8368.18, 0.00311116/step Wall: 8368.18, 0.00311116/step, 2.00515 hours remaining, 234.679688 MB of memory in use. ENERGY: 2679800 3969.5680 20535.9836 14543.5753 250.9962 -202609.3925 2292.8686 0.0000 0.0000 51817.0911 -109199.3096 297.7935 -161016.4007 -108836.7862 298.9124 -345.0730 -316.2290 762168.0906 -5.2513 -5.1513 PRESSURE: 2680000 -116.095 -36.1855 74.3153 -36.1852 -63.1716 -290.256 74.3161 -290.257 -297.672 GPRESSURE: 2680000 -133.742 -130.049 70.6586 73.1203 1.06173 -312.262 75.4456 -278.317 -273.19 PRESSAVG: 2680000 -19.7519 -28.5576 -26.986 -28.5575 21.9698 -32.5144 -26.9859 -32.5144 -2.63462 GPRESSAVG: 2680000 -20.8797 -31.164 -25.9347 -29.605 22.6366 -33.7538 -26.5087 -31.2434 -2.5108 TIMING: 2680000 CPU: 8368.8, 0.00310762/step Wall: 8368.8, 0.00310762/step, 2.00269 hours remaining, 234.679688 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: 2680000 4030.9941 20565.8458 14450.0291 240.6675 -202795.0132 2430.1018 0.0000 0.0000 52107.9248 -108969.4501 299.4650 -161077.3749 -108609.2025 299.7439 -158.9796 -135.2904 761314.4272 -0.1389 -0.2513 PRESSURE: 2680200 50.0616 -194.755 -42.6744 -194.754 156.467 -91.6934 -42.6743 -91.6937 231.99 GPRESSURE: 2680200 51.0378 -61.1086 -170.554 -130.319 213.731 -115.449 -91.271 -33.788 239.501 PRESSAVG: 2680200 3.48748 -36.5377 -2.14855 -36.5377 -20.3547 -35.8376 -2.14854 -35.8376 -12.9786 GPRESSAVG: 2680200 4.22403 -33.2531 -2.07674 -34.5143 -20.1578 -35.0724 -2.88341 -36.5477 -14.0591 TIMING: 2680200 CPU: 8369.43, 0.00311484/step Wall: 8369.43, 0.00311484/step, 2.00717 hours remaining, 234.679688 MB of memory in use. ENERGY: 2680200 3867.0957 20433.8088 14517.6068 247.0579 -203246.7908 2846.3182 0.0000 0.0000 52292.6612 -109042.2423 300.5266 -161334.9034 -108668.5158 299.9053 146.1728 168.0899 761747.8190 -9.9486 -9.9976 LDB: ============= START OF LOAD BALANCING ============== 8381.91 LDB: ============== END OF LOAD BALANCING =============== 8381.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8381.91 LDB: ============= START OF LOAD BALANCING ============== 8382.22 LDB: Largest compute 7064 load 0.031025 is 15.9% of average load 0.195128 LDB: Average compute 0.004402 is 2.3% of average load 0.195128 LDB: TIME 8382.22 LOAD: AVG 0.195128 MAX 0.214291 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.676 MB LDB: TIME 8382.22 LOAD: AVG 0.195128 MAX 0.214291 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.879 MB LDB: TIME 8382.22 LOAD: AVG 0.195128 MAX 0.214291 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.879 MB LDB: ============== END OF LOAD BALANCING =============== 8382.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8382.23 PRESSURE: 2680400 133.128 67.5723 -66.4327 67.5727 -21.918 -17.7429 -66.4334 -17.7439 -236.268 GPRESSURE: 2680400 203.126 114.777 -88.4858 57.0613 -130.55 26.6533 -13.4869 70.4591 -121.65 PRESSAVG: 2680400 15.1846 -38.5761 -17.4387 -38.5761 15.9943 15.7216 -17.4387 15.7216 3.73802 GPRESSAVG: 2680400 14.408 -39.2308 -18.1313 -40.6582 15.6551 15.7043 -16.1236 16.2236 4.07555 TIMING: 2680400 CPU: 8370.06, 0.00318646/step Wall: 8370.06, 0.00318646/step, 2.05314 hours remaining, 233.394531 MB of memory in use. ENERGY: 2680400 4016.9960 20537.2733 14485.5318 249.6866 -202850.6437 2584.9302 0.0000 0.0000 51912.7638 -109063.4619 298.3434 -160976.2257 -108703.8021 299.7050 -41.6861 -16.3581 762801.8608 11.6390 11.3796 PRESSURE: 2680600 -407.172 33.4105 43.3225 33.411 -198.139 69.1908 43.3228 69.1925 -393.6 GPRESSURE: 2680600 -313.919 -68.253 116.343 29.259 -179.705 72.9529 103.101 43.8529 -416.572 PRESSAVG: 2680600 -35.9231 -36.3677 44.6667 -36.3677 12.9537 2.95616 44.6667 2.95611 -17.7947 GPRESSAVG: 2680600 -36.0407 -36.6221 45.8005 -35.9511 13.1156 2.47958 43.8107 1.87023 -18.0459 TIMING: 2680600 CPU: 8370.68, 0.00308436/step Wall: 8370.68, 0.00308436/step, 1.98718 hours remaining, 233.597656 MB of memory in use. ENERGY: 2680600 4002.4316 20251.8066 14478.6609 255.0038 -202437.3837 2294.1981 0.0000 0.0000 52108.0672 -109047.2155 299.4658 -161155.2827 -108675.3888 299.2908 -332.9703 -303.3989 765126.0662 -13.5880 -13.6570 PRESSURE: 2680800 -24.1926 42.3137 161.532 42.3128 -335.06 153.782 161.532 153.783 -137.311 GPRESSURE: 2680800 47.5054 70.7407 179.748 -77.199 -292.111 118.997 254.138 190.619 -167.306 PRESSAVG: 2680800 -3.11262 -35.3066 10.2622 -35.3066 -10.5017 -64.5604 10.2623 -64.5603 -16.9317 GPRESSAVG: 2680800 -1.21067 -33.8858 7.72659 -36.2582 -11.4576 -64.8912 9.36297 -63.1778 -17.9137 TIMING: 2680800 CPU: 8371.3, 0.00310128/step Wall: 8371.3, 0.00310127/step, 1.99791 hours remaining, 233.597656 MB of memory in use. ENERGY: 2680800 3985.1578 20447.1338 14383.2769 261.2523 -202633.4364 2302.7554 0.0000 0.0000 52135.7717 -109118.0884 299.6250 -161253.8602 -108758.1284 299.3944 -165.5215 -137.3038 761018.8184 -10.1820 -10.1940 PRESSURE: 2681000 70.0881 36.8751 42.1486 36.8752 -412.755 43.2952 42.1476 43.2956 307.81 GPRESSURE: 2681000 61.6076 -44.5512 30.2725 111.51 -357.609 22.8478 113.824 5.42137 346.991 PRESSAVG: 2681000 -28.198 6.14721 34.3313 6.1471 32.4703 -41.5535 34.3313 -41.5535 -4.16352 GPRESSAVG: 2681000 -28.3318 2.73948 35.4112 9.12606 32.6859 -40.6514 34.9806 -44.9776 -3.33958 TIMING: 2681000 CPU: 8371.93, 0.00311589/step Wall: 8371.93, 0.00311589/step, 2.00715 hours remaining, 233.597656 MB of memory in use. ENERGY: 2681000 4050.8305 20393.8541 14387.7324 242.4596 -202710.6937 2350.9472 0.0000 0.0000 52220.2951 -109064.5748 300.1108 -161284.8699 -108718.1275 299.3284 -11.6191 16.9964 761898.9906 0.0363 0.3382 PRESSURE: 2681200 -20.3213 -18.9487 -119.359 -18.9497 10.9883 -372.532 -119.359 -372.532 -71.3955 GPRESSURE: 2681200 42.5031 20.2002 -17.4744 -42.1567 23.948 -265.552 -203.554 -292.403 -49.5252 PRESSAVG: 2681200 29.9537 16.968 -11.2509 16.9679 -36.2393 30.5644 -11.2508 30.5644 -15.3717 GPRESSAVG: 2681200 28.6941 16.3145 -10.7148 15.6436 -35.7189 29.4144 -9.41046 32.5153 -14.6705 TIMING: 2681200 CPU: 8372.55, 0.00310447/step Wall: 8372.55, 0.00310447/step, 1.99962 hours remaining, 233.597656 MB of memory in use. ENERGY: 2681200 3947.7399 20510.4617 14482.6112 249.8589 -202437.5723 2298.5262 0.0000 0.0000 52292.9454 -108655.4292 300.5283 -160948.3745 -108292.8017 299.3218 -26.9095 5.6419 761976.3409 -7.2191 -7.2318 PRESSURE: 2681400 -302.251 123.147 -42.7443 123.147 -341.043 -121.928 -42.7443 -121.928 -677.992 GPRESSURE: 2681400 -275.345 80.5732 12.6702 48.2528 -263.626 -55.923 -172.857 -139.66 -688.137 PRESSAVG: 2681400 -29.6493 4.41228 -20.8568 4.41235 51.8993 2.47587 -20.8568 2.47582 18.0713 GPRESSAVG: 2681400 -28.1943 6.50161 -20.9686 2.98427 50.7094 3.65411 -24.3768 3.24 17.577 TIMING: 2681400 CPU: 8373.17, 0.00311697/step Wall: 8373.17, 0.00311697/step, 2.0075 hours remaining, 233.597656 MB of memory in use. ENERGY: 2681400 4020.6035 20530.6232 14431.4401 239.2522 -202520.4081 2227.2587 0.0000 0.0000 52327.1099 -108744.1203 300.7246 -161071.2302 -108379.6538 299.9738 -440.4283 -409.0361 762227.6334 13.4405 13.3640 PRESSURE: 2681600 -401.385 -176.414 137.776 -176.414 95.2545 45.429 137.776 45.4284 -293.464 GPRESSURE: 2681600 -360.123 -218.36 260.274 -103.225 109.877 -10.0131 129.783 81.1578 -240.668 PRESSAVG: 2681600 -84.6799 9.74787 50.2419 9.74785 44.773 -24.1987 50.2418 -24.1987 -2.04532 GPRESSAVG: 2681600 -85.0999 8.13737 50.5506 10.3776 45.2438 -22.8041 51.6556 -23.1399 -1.54496 TIMING: 2681600 CPU: 8373.79, 0.00309229/step Wall: 8373.79, 0.00309229/step, 1.99144 hours remaining, 233.597656 MB of memory in use. ENERGY: 2681600 4032.9684 20482.9679 14424.3574 249.6257 -202614.6324 2401.7293 0.0000 0.0000 52276.5304 -108746.4533 300.4339 -161022.9837 -108387.2323 300.1465 -199.8648 -163.6383 761956.9152 -13.9841 -13.8003 PRESSURE: 2681800 -256.808 9.61911 -126.288 9.61964 119.055 180.375 -126.289 180.374 91.1707 GPRESSURE: 2681800 -142.248 120.436 -181.106 97.4515 69.539 150.093 -140.368 317.031 113.445 PRESSAVG: 2681800 -4.77199 -12.6792 9.14105 -12.6792 19.3474 45.2531 9.14105 45.253 -9.98356 GPRESSAVG: 2681800 -4.86695 -10.3676 8.15194 -11.2258 20.0762 45.1693 7.29478 42.8255 -10.6232 TIMING: 2681800 CPU: 8374.41, 0.00309392/step Wall: 8374.41, 0.00309392/step, 1.99231 hours remaining, 233.597656 MB of memory in use. ENERGY: 2681800 3960.4595 20496.4995 14483.4230 251.1447 -202388.6061 2346.3444 0.0000 0.0000 52293.2477 -108557.4873 300.5300 -160850.7350 -108188.8952 299.7108 -15.5275 13.5788 763485.1880 1.5306 1.5287 PRESSURE: 2682000 -19.3254 -268.635 -141.169 -268.635 -18.7683 -116.217 -141.169 -116.217 -132.719 GPRESSURE: 2682000 -11.3138 -364.117 -228.723 -159.515 -7.30181 -151.425 -24.3075 11.2287 -63.6333 PRESSAVG: 2682000 75.4043 -18.2966 17.4078 -18.2967 -45.4808 3.38276 17.4078 3.38278 -1.00585 GPRESSAVG: 2682000 75.2052 -19.253 17.3659 -19.492 -45.9038 2.35555 19.476 4.43224 -0.700059 TIMING: 2682000 CPU: 8375.03, 0.00310889/step Wall: 8375.03, 0.00310889/step, 2.00178 hours remaining, 233.597656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2682000 4036.3025 20584.5853 14441.5919 280.1728 -202283.9068 2200.8197 0.0000 0.0000 52267.6054 -108472.8292 300.3826 -160740.4346 -108106.1286 300.6505 -56.9374 -27.4163 763240.3189 9.6392 9.5338 PRESSURE: 2682200 -98.8003 75.0073 78.706 75.0071 64.35 -197.002 78.706 -197.001 -8.22448 GPRESSURE: 2682200 -118.075 -30.8026 -25.8913 41.3221 119.133 -200.306 -63.634 22.1362 48.5066 PRESSAVG: 2682200 -3.42379 16.6612 -29.5444 16.6611 -9.63973 -21.7588 -29.5444 -21.7588 11.0338 GPRESSAVG: 2682200 -3.0653 16.7974 -29.2263 18.5469 -9.83345 -21.2776 -29.5184 -22.6135 11.177 TIMING: 2682200 CPU: 8375.65, 0.00311325/step Wall: 8375.65, 0.00311325/step, 2.00442 hours remaining, 233.597656 MB of memory in use. ENERGY: 2682200 3982.2011 20654.6272 14515.5719 255.3398 -202784.5541 2635.4392 0.0000 0.0000 52405.1773 -108336.1976 301.1733 -160741.3750 -107978.7689 300.6740 -14.2249 16.5215 762263.1223 -0.6766 -0.5739 PRESSURE: 2682400 263.746 -123.606 303.003 -123.605 -278.278 104.138 303.003 104.138 147.313 GPRESSURE: 2682400 298.914 -38.2198 247.419 -17.3619 -262.142 11.0456 186.151 266.202 176.869 PRESSAVG: 2682400 -1.42999 6.69752 108.923 6.69753 2.12022 -2.41626 108.923 -2.41623 -22.1225 GPRESSAVG: 2682400 -0.843983 7.14722 108.62 5.38322 1.88892 -2.12362 106.327 -1.50987 -22.9811 TIMING: 2682400 CPU: 8376.28, 0.0031257/step Wall: 8376.28, 0.0031257/step, 2.01226 hours remaining, 233.597656 MB of memory in use. ENERGY: 2682400 4024.7263 20396.7436 14528.9610 252.8208 -202787.2207 2789.9687 0.0000 0.0000 52277.9186 -108516.0816 300.4419 -160794.0002 -108151.3571 300.9348 44.2604 71.2137 763529.3285 -7.1441 -7.3121 PRESSURE: 2682600 30.0322 200.31 62.6672 200.311 259.42 -34.7157 62.6674 -34.7158 283.737 GPRESSURE: 2682600 28.1712 161.307 136.064 248.57 324.222 -5.63421 28.57 -117.872 294.872 PRESSAVG: 2682600 28.1739 -14.2053 26.698 -14.2052 -0.515284 -12.5371 26.6981 -12.5372 23.3174 GPRESSAVG: 2682600 27.3474 -15.866 27.4754 -13.2103 -0.983074 -11.5284 27.0134 -14.8453 24.3921 TIMING: 2682600 CPU: 8376.9, 0.00311803/step Wall: 8376.9, 0.00311803/step, 2.00715 hours remaining, 233.597656 MB of memory in use. ENERGY: 2682600 3963.2601 20513.2816 14513.8541 235.2735 -202781.1677 2509.6326 0.0000 0.0000 52513.4663 -108532.3995 301.7956 -161045.8658 -108165.3796 300.6848 191.0630 215.7548 763745.7329 16.9920 16.9188 PRESSURE: 2682800 -76.0495 120.966 -116.671 120.966 -234.983 128.835 -116.671 128.834 -202.014 GPRESSURE: 2682800 94.3469 276.035 -136.006 103.604 -239.589 187.183 -114.526 -17.0479 -290.9 PRESSAVG: 2682800 7.75746 -27.2375 16.3455 -27.2375 -21.2463 -20.7365 16.3455 -20.7366 -7.03847 GPRESSAVG: 2682800 8.20419 -25.7449 17.8649 -28.8503 -22.5713 -19.783 18.3713 -20.2591 -5.9254 TIMING: 2682800 CPU: 8377.52, 0.00311296/step Wall: 8377.52, 0.00311296/step, 2.00371 hours remaining, 233.597656 MB of memory in use. ENERGY: 2682800 4013.6049 20541.3047 14509.6589 261.5635 -202458.4355 2447.2552 0.0000 0.0000 52274.9946 -108410.0536 300.4251 -160685.0482 -108037.5801 300.2212 -171.0154 -145.3808 764571.3015 -6.8424 -6.7642 PRESSURE: 2683000 -500.162 -174.214 24.0615 -174.213 -32.0062 -45.7666 24.0617 -45.7669 -275.384 GPRESSURE: 2683000 -428.4 -149.183 22.5725 -186.598 -63.5936 -27.0125 32.6161 -91.6268 -236.973 PRESSAVG: 2683000 -5.9391 -42.3049 3.85217 -42.3048 19.8738 37.312 3.85223 37.312 8.4079 GPRESSAVG: 2683000 -4.82279 -42.2336 2.49061 -41.0799 20.3324 33.8914 3.00816 38.8757 6.87276 TIMING: 2683000 CPU: 8378.14, 0.0030993/step Wall: 8378.14, 0.0030993/step, 1.99474 hours remaining, 233.597656 MB of memory in use. ENERGY: 2683000 4016.4911 20821.8841 14494.9093 243.4683 -202775.0549 2680.0927 0.0000 0.0000 52017.6675 -108500.5420 298.9462 -160518.2095 -108135.7143 300.7040 -269.1842 -242.9888 765621.1703 7.4475 7.4608 PRESSURE: 2683200 -104.559 82.6089 224.642 82.6098 -30.9185 -250.831 224.642 -250.831 229.891 GPRESSURE: 2683200 -92.9388 44.8749 302.032 -46.4035 21.0977 -230.712 30.0353 -137.718 246.912 PRESSAVG: 2683200 -72.9692 -49.7669 75.0585 -49.767 16.7249 -7.66445 75.0585 -7.66441 -22.8085 GPRESSAVG: 2683200 -74.0679 -51.1383 75.7814 -52.355 17.7991 -6.91342 74.4828 -5.8581 -23.2539 TIMING: 2683200 CPU: 8378.77, 0.00311972/step Wall: 8378.77, 0.00311972/step, 2.00771 hours remaining, 233.597656 MB of memory in use. ENERGY: 2683200 3988.1781 20642.4222 14564.7966 241.6255 -203054.5230 3062.4968 0.0000 0.0000 52120.1622 -108434.8415 299.5353 -160555.0037 -108064.9728 300.6282 31.4713 58.3569 763680.4751 -26.3509 -26.5076 PRESSURE: 2683400 127.844 -64.855 225.417 -64.8548 -219.515 4.37874 225.417 4.37877 -31.9213 GPRESSURE: 2683400 136.403 0.380192 286.524 7.21331 -244.698 -27.9923 281.82 73.108 77.1425 PRESSAVG: 2683400 14.0613 -51.0283 77.2288 -51.0283 -44.9873 -10.9371 77.2289 -10.9371 22.8485 GPRESSAVG: 2683400 14.6526 -49.0804 74.6882 -50.4639 -46.2046 -9.56488 77.1884 -12.5034 23.5636 TIMING: 2683400 CPU: 8379.39, 0.00311508/step Wall: 8379.39, 0.00311508/step, 2.00455 hours remaining, 233.597656 MB of memory in use. ENERGY: 2683400 3954.6842 20556.6277 14419.0759 243.4462 -202740.7976 2495.5623 0.0000 0.0000 52502.9156 -108568.4857 301.7350 -161071.4013 -108215.5637 300.3557 -41.1975 -10.3841 764302.9329 -2.6925 -2.6628 PRESSURE: 2683600 -237.192 45.3076 -164.714 45.3086 -169.922 -129.708 -164.714 -129.709 -419.909 GPRESSURE: 2683600 -223.272 55.7845 -186.566 -35.4263 -104.027 -108.864 -86.4978 -140.09 -415.846 PRESSAVG: 2683600 36.4024 7.43216 -31.1523 7.43216 -14.5971 -67.5597 -31.1523 -67.5597 6.19319 GPRESSAVG: 2683600 36.2712 7.04353 -29.6351 7.20219 -13.612 -67.2243 -30.6356 -68.4792 5.4904 TIMING: 2683600 CPU: 8380.01, 0.0031206/step Wall: 8380.01, 0.0031206/step, 2.00793 hours remaining, 233.597656 MB of memory in use. ENERGY: 2683600 4049.4741 20520.3426 14515.6140 263.6362 -202882.6696 2609.1570 0.0000 0.0000 52363.5515 -108560.8942 300.9341 -160924.4457 -108200.1038 300.4655 -275.6743 -247.7151 762041.9186 9.3329 9.3832 PRESSURE: 2683800 -346.799 102.917 13.7722 102.916 -346.969 53.2995 13.7722 53.2994 88.3801 GPRESSURE: 2683800 -374.975 37.4716 32.9736 10.1464 -265.637 94.2438 -4.69852 86.8796 115.415 PRESSAVG: 2683800 -37.4536 70.6671 16.8178 70.6671 25.5227 -17.0952 16.8178 -17.0952 -8.83487 GPRESSAVG: 2683800 -38.5631 69.5782 16.5443 69.8792 26.2112 -17.7394 16.0178 -15.8025 -8.25616 TIMING: 2683800 CPU: 8380.63, 0.00308832/step Wall: 8380.63, 0.00308832/step, 1.98699 hours remaining, 233.597656 MB of memory in use. ENERGY: 2683800 4016.6991 20596.5133 14501.5941 249.9496 -202849.4237 2614.3946 0.0000 0.0000 52187.5282 -108682.7447 299.9224 -160870.2729 -108319.0842 300.2677 -201.7960 -175.0655 763402.7646 -6.9219 -6.8694 PRESSURE: 2684000 123.515 96.0313 83.7781 96.0315 193.009 -75.7442 83.7785 -75.7442 -171.539 GPRESSURE: 2684000 158.623 80.3575 226.406 68.0117 201.643 -78.6242 -21.4298 -195.199 -132.492 PRESSAVG: 2684000 -20.6687 48.9948 11.4923 48.9948 2.45906 -10.7796 11.4923 -10.7796 23.8342 GPRESSAVG: 2684000 -19.9821 49.8435 12.072 49.7853 1.51671 -10.1833 11.3403 -12.9205 24.4084 TIMING: 2684000 CPU: 8381.25, 0.00308794/step Wall: 8381.25, 0.00308794/step, 1.98657 hours remaining, 233.597656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2684000 4021.3785 20543.0181 14504.8222 250.0676 -203289.6251 3075.8907 0.0000 0.0000 52581.5328 -108312.9153 302.1868 -160894.4481 -107949.1328 300.9013 48.3282 75.9246 762142.6228 1.8749 1.9810 PRESSURE: 2684200 10.7972 89.1672 -53.6754 89.1673 89.6376 126.575 -53.6755 126.575 50.2023 GPRESSURE: 2684200 77.8547 -38.994 5.54087 134.537 107.304 85.0267 -40.91 149.656 43.6426 PRESSAVG: 2684200 -9.16379 9.28585 -0.684784 9.28584 19.6396 -70.407 -0.684753 -70.407 5.22109 GPRESSAVG: 2684200 -8.17251 9.17036 -2.25956 9.83093 18.9425 -71.8809 -0.124672 -69.9272 5.37621 TIMING: 2684200 CPU: 8381.86, 0.00307446/step Wall: 8381.86, 0.00307446/step, 1.97773 hours remaining, 233.597656 MB of memory in use. ENERGY: 2684200 4072.0348 20605.2459 14469.0246 259.5363 -203289.6486 3046.8982 0.0000 0.0000 52464.3631 -108372.5457 301.5134 -160836.9088 -108003.8296 301.4290 50.2124 76.2670 763439.9679 5.2323 5.3821 LDB: ============= START OF LOAD BALANCING ============== 8394.34 LDB: ============== END OF LOAD BALANCING =============== 8394.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8394.35 LDB: ============= START OF LOAD BALANCING ============== 8394.66 LDB: Largest compute 7034 load 0.030421 is 15.6% of average load 0.195221 LDB: Average compute 0.004408 is 2.3% of average load 0.195221 LDB: TIME 8394.66 LOAD: AVG 0.195221 MAX 0.215332 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.938 MB LDB: TIME 8394.66 LOAD: AVG 0.195221 MAX 0.215332 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.977 MB LDB: TIME 8394.66 LOAD: AVG 0.195221 MAX 0.215332 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.977 MB LDB: ============== END OF LOAD BALANCING =============== 8394.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8394.67 PRESSURE: 2684400 -118.181 90.7063 150.52 90.7051 -115.893 48.3122 150.52 48.3122 -219.55 GPRESSURE: 2684400 -123.167 1.307 189.9 5.62704 25.8587 41.5836 182.573 53.4816 -271.205 PRESSAVG: 2684400 -18.3262 12.3714 8.02327 12.3714 8.30243 8.25238 8.02331 8.25232 9.6124 GPRESSAVG: 2684400 -17.2429 13.8991 8.53643 10.3843 8.81101 8.77226 8.89609 11.0794 8.402 TIMING: 2684400 CPU: 8382.5, 0.00319929/step Wall: 8382.5, 0.00319929/step, 2.05785 hours remaining, 233.859375 MB of memory in use. ENERGY: 2684400 4047.7228 20705.2330 14493.3808 243.4508 -203287.9193 3027.3287 0.0000 0.0000 52420.3746 -108350.4287 301.2606 -160770.8032 -107981.8785 301.4324 -151.2080 -122.8376 763306.4514 -0.1371 -0.0100 PRESSURE: 2684600 -29.116 207.609 -191.75 207.609 89.0985 -149.494 -191.75 -149.494 210.068 GPRESSURE: 2684600 -28.5553 226.519 -204.197 215.435 145.355 -92.0352 -243.606 -173.717 237.029 PRESSAVG: 2684600 -50.5452 29.796 33.9986 29.796 48.562 -58.5896 33.9987 -58.5896 29.2712 GPRESSAVG: 2684600 -52.4186 27.7209 34.1961 32.573 48.9167 -57.2704 34.0814 -60.0524 30.7176 TIMING: 2684600 CPU: 8383.13, 0.00311502/step Wall: 8383.13, 0.00311502/step, 2.00348 hours remaining, 233.859375 MB of memory in use. ENERGY: 2684600 3979.8886 20619.6736 14524.7398 243.0391 -202534.0683 2563.9014 0.0000 0.0000 52292.2299 -108310.5959 300.5242 -160602.8258 -107942.2939 300.9054 90.0169 117.9429 762726.0697 9.0960 9.0719 PRESSURE: 2684800 163.496 52.6209 15.8124 52.6209 -41.5892 -11.7372 15.8122 -11.7366 34.5385 GPRESSURE: 2684800 132.314 49.4906 36.1477 51.2539 59.5531 22.4974 89.7506 -36.552 63.4386 PRESSAVG: 2684800 29.4251 17.2597 -12.3975 17.2598 -31.1286 -13.8517 -12.3975 -13.8517 -14.2449 GPRESSAVG: 2684800 29.9365 15.5672 -11.8202 17.5361 -31.5151 -14.7556 -12.7098 -15.1447 -14.8547 TIMING: 2684800 CPU: 8383.75, 0.00309856/step Wall: 8383.75, 0.00309856/step, 1.99272 hours remaining, 233.859375 MB of memory in use. ENERGY: 2684800 4075.5280 20583.4106 14561.1498 239.5186 -203064.5530 2926.5982 0.0000 0.0000 52556.7891 -108121.5588 302.0446 -160678.3478 -107766.0747 301.1448 52.1485 85.1019 764194.1233 -5.3161 -5.4778 PRESSURE: 2685000 -171.591 176.786 15.2364 176.786 -239.858 -39.6269 15.2371 -39.6258 -287.479 GPRESSURE: 2685000 -195.468 141.585 34.2234 208.229 -139.791 -4.63156 -6.78562 44.4825 -295.41 PRESSAVG: 2685000 -37.3519 -34.3356 17.0909 -34.3356 -3.2601 -39.0144 17.0909 -39.0144 9.33507 GPRESSAVG: 2685000 -36.8753 -33.2129 16.6983 -35.4472 -3.03033 -38.4874 16.4702 -36.8255 8.27614 TIMING: 2685000 CPU: 8384.36, 0.00308339/step Wall: 8384.36, 0.00308339/step, 1.98279 hours remaining, 233.859375 MB of memory in use. ENERGY: 2685000 4076.8555 20646.3877 14494.2394 264.8741 -203083.7802 2701.9809 0.0000 0.0000 52579.7454 -108319.6972 302.1765 -160899.4427 -107946.7799 301.6080 -232.9759 -210.2230 764973.7034 -10.4256 -10.5432 PRESSURE: 2685200 -21.1456 -355.459 24.8059 -355.459 144.655 312 24.8067 312.001 112.597 GPRESSURE: 2685200 58.0322 -284.144 69.0896 -367.51 155.149 337.642 -54.3668 298.219 98.9158 PRESSAVG: 2685200 -4.08876 -11.8927 69.7862 -11.8926 55.9084 -21.5443 69.7862 -21.5442 6.80249 GPRESSAVG: 2685200 -5.174 -10.6874 68.5363 -12.0663 54.8264 -22.7547 67.8812 -20.8688 8.63038 TIMING: 2685200 CPU: 8384.98, 0.00308596/step Wall: 8384.98, 0.00308596/step, 1.98428 hours remaining, 233.859375 MB of memory in use. ENERGY: 2685200 4024.0557 20683.1270 14454.7906 256.8776 -202931.1064 2720.8204 0.0000 0.0000 52287.5724 -108503.8627 300.4974 -160791.4351 -108138.1162 300.6409 78.7021 104.0324 763839.4831 19.5407 19.4276 PRESSURE: 2685400 112.063 -40.8515 -33.4512 -40.8504 345.359 -244.398 -33.452 -244.399 71.8794 GPRESSURE: 2685400 181.417 -82.9063 -89.0606 -30.3678 217.251 -254.224 72.1694 -227.057 187.078 PRESSAVG: 2685400 -40.6556 -39.3268 0.46456 -39.3269 5.36486 -31.8192 0.464549 -31.8193 -10.7158 GPRESSAVG: 2685400 -39.4199 -39.5122 -0.0734448 -40.5787 6.25863 -30.5785 3.87454 -31.9529 -12.2999 TIMING: 2685400 CPU: 8385.6, 0.0031091/step Wall: 8385.6, 0.0031091/step, 1.99898 hours remaining, 233.859375 MB of memory in use. ENERGY: 2685400 3927.0292 20741.7605 14471.7503 247.7550 -202886.9214 2792.4199 0.0000 0.0000 52058.2564 -108647.9501 299.1795 -160706.2065 -108290.3574 300.2112 176.4337 195.2483 764683.2589 -15.3355 -15.1537 PRESSURE: 2685600 -213.927 189.872 -4.08703 189.873 136.868 -128.243 -4.08664 -128.242 -95.6045 GPRESSURE: 2685600 -157.291 109.037 -20.0678 193.042 207.032 -168.904 -56.4644 -169.055 -131.114 PRESSAVG: 2685600 10.0259 -34.4487 12.8502 -34.4486 28.9883 -1.24028 12.8502 -1.24022 0.39436 GPRESSAVG: 2685600 10.1126 -35.3906 14.8892 -32.5258 29.4441 -0.751062 11.9518 -3.42738 -0.161891 TIMING: 2685600 CPU: 8386.23, 0.00312926/step Wall: 8386.23, 0.00312926/step, 2.01176 hours remaining, 233.859375 MB of memory in use. ENERGY: 2685600 4052.5285 20709.9215 14455.3177 233.8638 -202464.5392 2395.0641 0.0000 0.0000 52075.8051 -108542.0386 299.2804 -160617.8437 -108180.5944 299.8425 -57.5545 -27.1243 764240.2565 13.1362 13.1316 PRESSURE: 2685800 -73.8018 341.001 60.5178 341.001 91.1535 -51.4901 60.5183 -51.4894 -479.294 GPRESSURE: 2685800 62.3611 313.42 79.3131 272.747 57.2935 78.7597 22.6045 -43.6904 -489.619 PRESSAVG: 2685800 -33.7859 22.7965 48.8495 22.7966 0.144519 -38.1701 48.8495 -38.1701 -32.529 GPRESSAVG: 2685800 -32.7856 24.1694 47.2238 20.8606 -0.733371 -39.8817 50.0079 -36.4317 -32.9122 TIMING: 2685800 CPU: 8386.85, 0.00311484/step Wall: 8386.85, 0.00311484/step, 2.00233 hours remaining, 233.859375 MB of memory in use. ENERGY: 2685800 3973.4937 20559.7034 14496.6514 258.5735 -202634.4732 2531.0762 0.0000 0.0000 52233.3928 -108581.5823 300.1860 -160814.9751 -108221.9293 300.5125 -153.9806 -123.3216 764313.5861 -22.0568 -22.1437 PRESSURE: 2686000 74.465 -15.6882 201.491 -15.6885 149.549 -131.412 201.492 -131.413 -26.6426 GPRESSURE: 2686000 86.502 -62.812 134.094 -66.2994 195.965 -294.817 262.47 -136.521 -4.23715 PRESSAVG: 2686000 -25.4204 -38.4109 53.1971 -38.4108 12.2184 16.6949 53.1971 16.6948 2.1091 GPRESSAVG: 2686000 -27.0128 -39.1625 55.4864 -37.8514 12.2909 16.0904 51.5364 16.1555 4.03345 TIMING: 2686000 CPU: 8387.48, 0.0031225/step Wall: 8387.48, 0.0031225/step, 2.00707 hours remaining, 233.859375 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: 2686000 3969.0579 20651.3771 14391.7859 248.6331 -202949.7083 2791.2808 0.0000 0.0000 52433.8480 -108463.7256 301.3380 -160897.5736 -108102.0410 300.6965 65.7905 92.7432 763511.8358 -3.6976 -3.5628 PRESSURE: 2686200 8.74077 -230.058 -95.3653 -230.058 -80.0491 177.191 -95.3654 177.188 197.044 GPRESSURE: 2686200 61.8893 -126.346 -70.9062 -81.1293 -80.0186 174.468 -177.246 63.5356 226.28 PRESSAVG: 2686200 25.4832 -25.0731 7.9311 -25.0731 -21.0318 -10.1109 7.9311 -10.111 -1.44901 GPRESSAVG: 2686200 26.9925 -24.9139 8.27779 -23.4275 -20.8722 -7.44323 8.01482 -12.485 -2.97735 TIMING: 2686200 CPU: 8388.1, 0.00310369/step Wall: 8388.1, 0.00310369/step, 1.99481 hours remaining, 233.859375 MB of memory in use. ENERGY: 2686200 3921.4912 20619.7422 14483.8223 250.7965 -202531.8634 2514.9639 0.0000 0.0000 52121.6766 -108619.3707 299.5440 -160741.0474 -108247.7655 300.2059 41.9119 69.3835 763695.5762 1.0008 1.0477 PRESSURE: 2686400 118.285 -62.967 -278.978 -62.9678 358.35 -39.2586 -278.978 -39.2576 -146.192 GPRESSURE: 2686400 208.749 7.51396 -332.763 -81.3892 302.52 58.8327 -143.378 67.1524 -86.046 PRESSAVG: 2686400 -18.7479 -49.4534 38.7333 -49.4535 1.64447 11.4234 38.7333 11.4233 3.99298 GPRESSAVG: 2686400 -18.7696 -49.3606 36.4429 -51.1624 1.41561 10.7259 38.9935 13.2358 3.90592 TIMING: 2686400 CPU: 8388.72, 0.0031251/step Wall: 8388.72, 0.0031251/step, 2.0084 hours remaining, 233.859375 MB of memory in use. ENERGY: 2686400 3959.0082 20445.8238 14471.6218 249.3360 -203288.4224 3174.0124 0.0000 0.0000 52326.0068 -108662.6134 300.7183 -160988.6202 -108312.4400 300.2128 110.1477 141.7410 763239.6802 -4.3702 -4.4827 PRESSURE: 2686600 61.2281 -102.781 -54.4381 -102.781 173.434 130.426 -54.4377 130.426 304.122 GPRESSURE: 2686600 124.855 -56.4682 -89.3216 -110.134 203.428 125.724 -48.1901 16.9697 305.554 PRESSAVG: 2686600 -11.2876 -16.0278 -29.2737 -16.0278 -14.5226 30.3099 -29.2737 30.3099 6.58803 GPRESSAVG: 2686600 -12.2078 -15.4004 -29.5795 -15.3113 -13.585 31.0811 -29.6326 28.9268 6.29097 TIMING: 2686600 CPU: 8389.34, 0.00310393/step Wall: 8389.34, 0.00310393/step, 1.99462 hours remaining, 233.859375 MB of memory in use. ENERGY: 2686600 3959.1795 20700.2254 14452.6117 247.2717 -202606.2850 2525.6735 0.0000 0.0000 52164.1737 -108557.1495 299.7882 -160721.3231 -108198.5020 300.1397 179.5944 211.2786 765715.6819 -6.4074 -6.5006 PRESSURE: 2686800 -107.722 -9.52915 162.145 -9.52911 387.743 26.3503 162.143 26.3496 402.621 GPRESSURE: 2686800 16.4344 0.185693 82.5491 -34.64 332.772 -16.8875 157.694 -54.1538 411.496 PRESSAVG: 2686800 29.6527 -51.4185 -9.55156 -51.4185 33.3503 16.6721 -9.5516 16.672 19.8346 GPRESSAVG: 2686800 29.3198 -52.0197 -8.00838 -50.8873 31.646 15.6611 -8.91649 20.4734 21.1374 TIMING: 2686800 CPU: 8389.96, 0.00311429/step Wall: 8389.96, 0.00311429/step, 2.0011 hours remaining, 233.859375 MB of memory in use. ENERGY: 2686800 4058.2822 20606.2322 14400.1850 284.6129 -202762.0947 2799.8475 0.0000 0.0000 52029.1083 -108583.8267 299.0120 -160612.9350 -108224.0022 300.2176 227.5472 253.5674 763093.5642 27.6125 27.3677 PRESSURE: 2687000 13.4804 -98.1976 228.915 -98.1971 -77.4474 76.7713 228.916 76.772 171.03 GPRESSURE: 2687000 -10.9614 -84.5743 160.665 -196.961 -109.069 34.998 122.346 -76.051 285.596 PRESSAVG: 2687000 -5.37969 -16.8563 -7.10285 -16.8564 -1.21968 -11.7259 -7.10288 -11.7258 1.98836 GPRESSAVG: 2687000 -6.24848 -16.6738 -6.46679 -17.5483 0.915016 -12.5156 -9.2875 -14.596 0.609294 TIMING: 2687000 CPU: 8390.59, 0.00312774/step Wall: 8390.59, 0.00312774/step, 2.00958 hours remaining, 233.859375 MB of memory in use. ENERGY: 2687000 3919.5770 20553.2696 14500.3631 233.5092 -202560.1800 2398.9794 0.0000 0.0000 52294.8828 -108659.5990 300.5394 -160954.4818 -108297.7332 300.2359 35.6876 55.1883 762743.3006 -1.5370 -1.5747 PRESSURE: 2687200 -242.119 -135.239 -59.0361 -135.239 12.9127 -125.188 -59.036 -125.187 -740.249 GPRESSURE: 2687200 -194.553 -87.7676 0.921505 -171.594 20.1817 -100.47 2.47427 -82.9781 -699.592 PRESSAVG: 2687200 -30.2133 -12.8525 0.241391 -12.8525 0.500918 -19.8916 0.241456 -19.8916 -5.16178 GPRESSAVG: 2687200 -28.9567 -12.2166 -0.300207 -13.484 -0.306462 -19.7068 -0.169528 -19.5323 -5.13034 TIMING: 2687200 CPU: 8391.22, 0.0031337/step Wall: 8391.22, 0.0031337/step, 2.01323 hours remaining, 233.859375 MB of memory in use. ENERGY: 2687200 4015.2228 20444.0832 14492.3003 254.3136 -202864.6062 2573.3019 0.0000 0.0000 52220.6809 -108864.7035 300.1130 -161085.3845 -108509.1934 299.9216 -323.1519 -291.3209 764291.5313 -11.6247 -11.4645 PRESSURE: 2687400 -140.997 -12.1189 -61.8031 -12.1186 -391.374 29.313 -61.8032 29.3146 -182.232 GPRESSURE: 2687400 -75.7514 85.8715 -28.7519 -25.8179 -376.122 32.8825 32.4713 51.7377 -175.259 PRESSAVG: 2687400 72.7349 -27.4728 -50.4012 -27.4728 -23.169 -0.946647 -50.4012 -0.946672 -33.2737 GPRESSAVG: 2687400 72.0089 -28.6402 -50.7658 -25.6114 -23.233 -0.904101 -48.5955 -0.0620172 -32.3759 TIMING: 2687400 CPU: 8391.84, 0.00312727/step Wall: 8391.84, 0.00312727/step, 2.00892 hours remaining, 233.859375 MB of memory in use. ENERGY: 2687400 4046.8794 20494.0285 14487.4553 255.0972 -202537.4122 2516.4247 0.0000 0.0000 52038.7754 -108698.7517 299.0676 -160737.5271 -108334.0182 300.2199 -238.2008 -209.0441 763972.9169 5.4307 5.4667 PRESSURE: 2687600 -187.231 -19.7836 -153.518 -19.7835 58.3598 -329.453 -153.519 -329.453 -25.7216 GPRESSURE: 2687600 -218.5 -97.6719 -124.803 -77.6836 234.333 -327.018 -130.57 -361.997 -80.1531 PRESSAVG: 2687600 -19.0358 -76.4671 -22.5925 -76.467 41.098 -49.8684 -22.5924 -49.8684 1.94454 GPRESSAVG: 2687600 -18.6535 -75.4847 -21.706 -78.0675 40.8965 -49.9652 -24.9001 -50.333 1.6986 TIMING: 2687600 CPU: 8392.47, 0.00314829/step Wall: 8392.47, 0.00314829/step, 2.02225 hours remaining, 233.859375 MB of memory in use. ENERGY: 2687600 4029.7800 20575.5058 14434.1549 235.0634 -202992.8402 2776.8050 0.0000 0.0000 52260.8707 -108680.6604 300.3439 -160941.5310 -108316.2190 300.0535 -51.5310 -21.4400 763572.5564 8.0023 7.9805 PRESSURE: 2687800 -49.564 -4.41679 242.249 -4.41805 -130.785 -64.5735 242.249 -64.5737 -71.6133 GPRESSURE: 2687800 -13.9946 -23.8467 235.597 -16.2779 -90.4131 -60.0806 256.162 -91.7001 -78.899 PRESSAVG: 2687800 56.7651 -102.506 -46.1077 -102.506 -51.2007 -25.9118 -46.1077 -25.9117 -3.04786 GPRESSAVG: 2687800 56.8729 -102.444 -45.8423 -100.649 -50.6862 -26.3093 -43.6685 -25.8777 -3.93063 TIMING: 2687800 CPU: 8393.1, 0.00314668/step Wall: 8393.1, 0.00314668/step, 2.02104 hours remaining, 233.859375 MB of memory in use. ENERGY: 2687800 4022.4262 20433.8399 14481.3826 253.2414 -203218.5725 2831.6376 0.0000 0.0000 52186.1221 -109009.9227 299.9144 -161196.0448 -108641.6289 299.6173 -83.9874 -61.1022 763844.3432 0.8388 0.7520 PRESSURE: 2688000 120.943 85.8582 309.447 85.8576 85.9527 38.1759 309.447 38.1765 -326.126 GPRESSURE: 2688000 198.93 -29.3399 307.771 94.7396 20.9057 95.0116 163.718 108.199 -250.157 PRESSAVG: 2688000 64.3428 -31.842 53.4869 -31.842 -49.5726 41.8667 53.4869 41.8667 -25.2883 GPRESSAVG: 2688000 63.9624 -33.4012 52.4717 -32.9785 -50.7093 41.4854 53.7456 43.5822 -23.8501 TIMING: 2688000 CPU: 8393.73, 0.00315098/step Wall: 8393.73, 0.00315098/step, 2.02363 hours remaining, 233.859375 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: 2688000 4089.7549 20565.0579 14469.7402 248.0404 -203388.3057 2918.6982 0.0000 0.0000 52230.2033 -108866.8107 300.1677 -161097.0141 -108514.1263 299.5064 -39.7436 -10.1069 761468.8617 -3.5060 -3.5323 PRESSURE: 2688200 163.457 -52.195 -48.0526 -52.1948 -55.5554 30.3561 -48.0528 30.3567 431.127 GPRESSURE: 2688200 140.403 -23.3727 -160.522 13.7555 77.3892 7.04054 -26.6857 -11.7634 404.301 PRESSAVG: 2688200 -27.0361 -32.2869 25.9027 -32.2869 22.9071 -0.226366 25.9027 -0.226329 30.6316 GPRESSAVG: 2688200 -27.4398 -31.6062 26.6228 -31.9047 24.7077 1.50116 25.5 -2.41127 28.8867 TIMING: 2688200 CPU: 8394.36, 0.003154/step Wall: 8394.36, 0.003154/step, 2.02539 hours remaining, 233.859375 MB of memory in use. ENERGY: 2688200 3960.4420 20527.3145 14484.4097 250.2102 -202761.1870 2291.2708 0.0000 0.0000 52243.5301 -109004.0096 300.2443 -161247.5397 -108647.3033 299.7849 179.6760 207.3643 760610.3186 8.8342 8.7182 LDB: ============= START OF LOAD BALANCING ============== 8406.84 LDB: ============== END OF LOAD BALANCING =============== 8406.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8406.84 LDB: ============= START OF LOAD BALANCING ============== 8407.15 LDB: Largest compute 7034 load 0.029591 is 15.2% of average load 0.195202 LDB: Average compute 0.004398 is 2.3% of average load 0.195202 LDB: TIME 8407.16 LOAD: AVG 0.195202 MAX 0.213434 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.91 MB LDB: TIME 8407.16 LOAD: AVG 0.195202 MAX 0.213434 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.113 MB LDB: TIME 8407.16 LOAD: AVG 0.195202 MAX 0.213434 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.113 MB LDB: ============== END OF LOAD BALANCING =============== 8407.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8407.17 PRESSURE: 2688400 -219.137 -30.0695 -6.98256 -30.0698 -467.183 15.3397 -6.98214 15.339 -275.297 GPRESSURE: 2688400 -165.243 13.5905 -5.55454 -7.21574 -436.995 84.2998 120.802 87.1604 -283.178 PRESSAVG: 2688400 -7.4111 -31.4752 1.98466 -31.4753 22.5971 37.8821 1.9846 37.8822 28.56 GPRESSAVG: 2688400 -6.90068 -31.322 0.480288 -30.8092 22.5268 37.6534 4.62743 37.9247 28.4238 TIMING: 2688400 CPU: 8395, 0.00318741/step Wall: 8395, 0.00318741/step, 2.04667 hours remaining, 233.675781 MB of memory in use. ENERGY: 2688400 3981.0574 20617.5930 14440.9350 258.1804 -202535.3462 2337.2090 0.0000 0.0000 51676.9922 -109223.3791 296.9884 -160900.3713 -108862.6250 299.1121 -320.5389 -295.1386 761537.0355 14.5820 14.6833 PRESSURE: 2688600 -240.085 140.954 -130.731 140.953 -241.073 -139.487 -130.73 -139.486 -577.232 GPRESSURE: 2688600 -136.786 55.9957 -194.872 99.5513 -290.443 -154.49 -55.0948 -93.5633 -531.3 PRESSAVG: 2688600 18.4081 -24.4271 -21.9243 -24.4271 12.907 7.44264 -21.9244 7.44259 -19.5953 GPRESSAVG: 2688600 18.6585 -23.7398 -21.9123 -24.5502 10.8384 7.30232 -22.6556 9.08812 -17.8638 TIMING: 2688600 CPU: 8395.63, 0.00312866/step Wall: 8395.63, 0.00312866/step, 2.00877 hours remaining, 233.675781 MB of memory in use. ENERGY: 2688600 4049.2505 20523.0415 14405.6969 248.3895 -202690.4308 2371.9774 0.0000 0.0000 51971.2168 -109120.8581 298.6793 -161092.0749 -108771.6895 298.6493 -352.7963 -319.5098 764020.9298 3.9066 3.8777 PRESSURE: 2688800 264.454 15.0177 292.577 15.0182 88.2162 -80.2396 292.577 -80.2395 365.646 GPRESSURE: 2688800 297.365 -24.7955 211.203 -27.3905 160.925 -50.2941 222.445 -136.742 337.137 PRESSAVG: 2688800 22.9222 -19.3541 -9.7141 -19.3541 -25.6644 -16.8742 -9.71408 -16.8742 -19.4073 GPRESSAVG: 2688800 23.0832 -19.328 -8.94514 -20.7807 -25.1235 -17.0468 -11.8578 -18.0901 -20.091 TIMING: 2688800 CPU: 8396.26, 0.00315613/step Wall: 8396.26, 0.00315613/step, 2.02624 hours remaining, 233.675781 MB of memory in use. ENERGY: 2688800 3965.2839 20493.8619 14392.7162 246.7254 -203557.3911 3049.0624 0.0000 0.0000 52137.1214 -109272.6200 299.6328 -161409.7414 -108909.5704 299.1174 239.4389 265.1424 762147.1952 -7.3831 -7.3771 PRESSURE: 2689000 -251.967 6.94664 -288.758 6.94609 232.657 48.4324 -288.757 48.4311 299.912 GPRESSURE: 2689000 -185.044 -89.8062 -290.555 15.1063 268.692 51.2017 -254.725 104.396 292.934 PRESSAVG: 2689000 54.4822 -20.6971 13.1602 -20.6972 -23.0558 21.4685 13.1602 21.4685 14.4653 GPRESSAVG: 2689000 54.4051 -20.4157 12.395 -20.3712 -22.0397 20.0744 14.4415 22.7381 13.4363 TIMING: 2689000 CPU: 8396.88, 0.00311997/step Wall: 8396.88, 0.00311997/step, 2.00285 hours remaining, 233.675781 MB of memory in use. ENERGY: 2689000 3917.8785 20614.6759 14388.7253 240.6358 -203139.3296 2701.0379 0.0000 0.0000 51918.6679 -109357.7082 298.3773 -161276.3761 -109001.9101 298.8839 93.5337 125.5274 763602.1649 15.2972 15.2672 PRESSURE: 2689200 -300.901 82.2867 314.85 82.2856 58.576 -94.9031 314.851 -94.9025 186.474 GPRESSURE: 2689200 -293.925 9.8236 261.333 106.789 -2.22379 -42.3387 189.426 -20.7901 312.045 PRESSAVG: 2689200 1.00887 47.8822 58.302 47.8823 -35.2763 25.2581 58.3019 25.2581 -2.32743 GPRESSAVG: 2689200 0.55511 47.3714 57.2123 47.5848 -35.3089 27.6274 57.5133 22.5311 -1.70239 TIMING: 2689200 CPU: 8397.51, 0.00312869/step Wall: 8397.51, 0.00312869/step, 2.00827 hours remaining, 233.675781 MB of memory in use. ENERGY: 2689200 3886.3851 20538.3258 14531.7358 248.6178 -203275.8529 2837.9936 0.0000 0.0000 51722.5667 -109510.2282 297.2503 -161232.7949 -109159.5715 298.5431 -18.6170 5.2988 762685.4199 -12.1983 -12.1521 PRESSURE: 2689400 -348.946 -96.1084 203.285 -96.1081 -249.519 -64.2416 203.285 -64.2404 -31.6598 GPRESSURE: 2689400 -257.844 10.3411 171.715 -216.063 -196.463 -55.8685 104.818 -83.4803 -105.512 PRESSAVG: 2689400 2.17863 32.6282 -27.8618 32.6282 -18.6115 13.9439 -27.8619 13.9439 -14.7034 GPRESSAVG: 2689400 2.12769 33.807 -26.162 33.0464 -17.8072 12.1487 -30.1684 14.9089 -15.2055 TIMING: 2689400 CPU: 8398.13, 0.00312691/step Wall: 8398.13, 0.00312691/step, 2.00696 hours remaining, 233.675781 MB of memory in use. ENERGY: 2689400 3961.7007 20559.6446 14392.1362 255.8417 -202483.1897 2012.4506 0.0000 0.0000 52188.6259 -109112.7900 299.9288 -161301.4160 -108742.3428 299.1518 -210.0417 -186.6066 762306.8801 -10.3788 -10.2950 PRESSURE: 2689600 4.58553 -198.52 105.808 -198.52 33.6269 -216.162 105.809 -216.161 -353.39 GPRESSURE: 2689600 29.2578 -263.932 125.207 -153.098 13.7419 -160.28 88.0582 -102.741 -278.163 PRESSAVG: 2689600 -6.84787 -23.5466 23.699 -23.5467 16.2905 -14.2087 23.699 -14.2088 15.3964 GPRESSAVG: 2689600 -6.78413 -22.7854 23.215 -24.5526 16.0204 -13.9624 26.3251 -12.9859 15.7618 TIMING: 2689600 CPU: 8398.76, 0.00314157/step Wall: 8398.76, 0.00314157/step, 2.01619 hours remaining, 233.675781 MB of memory in use. ENERGY: 2689600 3931.6010 20582.6045 14546.1041 257.5416 -203003.8200 2605.2427 0.0000 0.0000 51950.4592 -109130.2670 298.5600 -161080.7262 -108772.8400 299.4659 -105.0591 -78.3878 761602.5842 8.2797 8.3327 PRESSURE: 2689800 -49.3157 201.61 -222.3 201.611 -177.959 -64.2808 -222.301 -64.2814 99.356 GPRESSURE: 2689800 -3.23958 122.348 -84.7166 130.385 -127.708 -7.40431 -267.162 -31.0227 88.361 PRESSAVG: 2689800 -16.1742 25.9377 32.9526 25.9376 28.3007 -40.4921 32.9527 -40.4921 -10.5389 GPRESSAVG: 2689800 -16.8505 25.8706 36.2292 27.136 28.7546 -40.0323 32.7096 -38.7507 -10.2442 TIMING: 2689800 CPU: 8399.39, 0.00313967/step Wall: 8399.39, 0.00313967/step, 2.01479 hours remaining, 233.675781 MB of memory in use. ENERGY: 2689800 3926.3540 20640.8765 14499.7478 261.0091 -203117.4226 2622.8439 0.0000 0.0000 52229.4782 -108937.1131 300.1635 -161166.5913 -108577.4454 299.5428 -42.6395 -14.1955 762657.0329 0.5292 0.5533 PRESSURE: 2690000 72.315 173.794 58.9021 173.794 -56.6834 39.6681 58.9018 39.6676 -429.173 GPRESSURE: 2690000 64.0254 136.149 120.011 192.605 -1.51221 -23.9518 12.2365 11.1378 -376.821 PRESSAVG: 2690000 1.34094 -7.59737 36.5787 -7.59739 47.168 48.7104 36.5786 48.7104 4.97269 GPRESSAVG: 2690000 1.31075 -7.60198 33.3465 -6.98528 47.0362 47.9051 35.4865 47.0767 5.46655 TIMING: 2690000 CPU: 8400.01, 0.00313256/step Wall: 8400.01, 0.00313256/step, 2.01006 hours remaining, 233.675781 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: 2690000 3956.6321 20500.4964 14412.9385 251.8019 -202964.1891 2597.7238 0.0000 0.0000 52242.1615 -109002.4349 300.2364 -161244.5964 -108632.1038 300.0476 -137.8471 -104.7694 761736.3784 17.8272 17.9378 PRESSURE: 2690200 -156.772 -129.142 61.8284 -129.143 -22.1484 -258.407 61.8281 -258.408 -136.399 GPRESSURE: 2690200 -159.785 -171.756 68.9006 -80.9994 28.6419 -202.13 79.959 -259.115 -89.1976 PRESSAVG: 2690200 -83.4212 26.1688 10.3517 26.1688 65.879 -13.5268 10.3517 -13.5268 -0.631965 GPRESSAVG: 2690200 -83.6062 25.3762 11.0732 27.8175 66.4904 -12.778 11.4526 -15.1987 -0.906292 TIMING: 2690200 CPU: 8400.64, 0.00312154/step Wall: 8400.64, 0.00312154/step, 2.00281 hours remaining, 233.675781 MB of memory in use. ENERGY: 2690200 3986.3561 20485.3320 14424.7578 268.7837 -202829.6996 2400.8141 0.0000 0.0000 52120.0278 -109143.6282 299.5345 -161263.6560 -108788.2866 299.6296 -105.1064 -73.4468 763766.8691 -6.0581 -6.0073 PRESSURE: 2690400 -317.207 86.443 -188.177 86.4427 -193.17 115.636 -188.177 115.635 -18.5441 GPRESSURE: 2690400 -300.451 119.626 -95.7562 82.3 -131.236 142.633 -97.255 119.726 -2.68004 PRESSAVG: 2690400 -32.8785 -3.42632 -21.0888 -3.42632 9.42484 -36.3231 -21.0888 -36.3231 -10.2624 GPRESSAVG: 2690400 -31.9088 -1.40705 -22.1329 -5.85049 8.60914 -36.4238 -21.1141 -36.8645 -10.0069 TIMING: 2690400 CPU: 8401.27, 0.00315546/step Wall: 8401.27, 0.00315546/step, 2.02441 hours remaining, 233.675781 MB of memory in use. ENERGY: 2690400 3976.8617 20519.1783 14519.0238 248.1769 -203047.6510 2661.7185 0.0000 0.0000 52100.3527 -109022.3391 299.4214 -161122.6919 -108660.8039 299.8510 -176.3071 -144.7892 762203.9950 -11.2387 -11.1022 PRESSURE: 2690600 93.4596 138.041 -161.382 138.04 76.217 249.254 -161.382 249.254 -208.511 GPRESSURE: 2690600 91.3695 69.4967 -195.52 146.974 79.9829 209.609 -109.63 232.873 -125.208 PRESSAVG: 2690600 -21.4257 -39.8711 19.2218 -39.8712 13.9671 -8.72931 19.2218 -8.72934 10.1518 GPRESSAVG: 2690600 -21.2982 -39.5479 20.6443 -38.7562 13.6241 -9.48723 20.1115 -6.76701 10.3303 TIMING: 2690600 CPU: 8401.9, 0.00313505/step Wall: 8401.9, 0.00313505/step, 2.01114 hours remaining, 233.675781 MB of memory in use. ENERGY: 2690600 3993.1596 20635.6734 14470.6972 248.9286 -203175.6342 2806.6101 0.0000 0.0000 51919.6244 -109100.9409 298.3828 -161020.5653 -108750.0854 299.5199 -12.9447 15.3814 760353.1446 0.8977 0.8854 PRESSURE: 2690800 -36.6256 143.801 -128.638 143.801 -262.064 -329.256 -128.638 -329.255 -401.457 GPRESSURE: 2690800 -1.05671 104.225 -116.431 53.5383 -211.895 -193.498 -31.6851 -225.775 -402.621 PRESSAVG: 2690800 -0.861224 -53.8513 -0.402273 -53.8513 26.1293 28.718 -0.402325 28.7178 -22.6781 GPRESSAVG: 2690800 0.014861 -53.3517 -0.803412 -55.8663 25.0867 29.595 -1.94449 27.9115 -22.4959 TIMING: 2690800 CPU: 8402.52, 0.00311891/step Wall: 8402.52, 0.00311891/step, 2.00061 hours remaining, 233.675781 MB of memory in use. ENERGY: 2690800 4027.1997 20489.0559 14443.0460 265.2186 -202959.0011 2435.8963 0.0000 0.0000 52307.0197 -108991.5650 300.6092 -161298.5847 -108631.1964 299.7200 -233.3821 -205.1908 762119.4143 0.8633 0.8686 PRESSURE: 2691000 -438.795 103.079 67.6329 103.079 -263.057 -53.3217 67.6329 -53.3216 203.633 GPRESSURE: 2691000 -354.211 103.694 23.6902 -34.9866 -251.227 -183.795 89.0185 21.5827 190.662 PRESSAVG: 2691000 37.6232 -1.19929 4.89952 -1.19929 -11.0065 -25.0117 4.89952 -25.0117 -4.28991 GPRESSAVG: 2691000 37.0326 -4.33557 5.70713 1.32922 -10.2493 -25.5278 5.81939 -24.4558 -4.73363 TIMING: 2691000 CPU: 8403.15, 0.00312602/step Wall: 8403.15, 0.00312602/step, 2.005 hours remaining, 233.675781 MB of memory in use. ENERGY: 2691000 4010.8731 20511.8298 14426.5881 237.5289 -202811.9111 2494.4980 0.0000 0.0000 51989.1858 -109141.4075 298.7826 -161130.5933 -108784.3533 299.6693 -166.0729 -138.2587 761001.6416 7.4423 7.3499 PRESSURE: 2691200 -79.5736 179.746 -227.009 179.746 -177.622 70.62 -227.009 70.6194 55.9738 GPRESSURE: 2691200 -68.6785 91.2347 -234.643 58.0169 -114.327 -18.3178 -127.938 78.0769 56.5674 PRESSAVG: 2691200 28.1085 12.992 35.7426 12.992 -74.2575 -9.59513 35.7426 -9.59513 5.22927 GPRESSAVG: 2691200 28.5054 13.5124 35.1119 11.3918 -74.5335 -10.1657 36.7159 -9.55916 5.44472 TIMING: 2691200 CPU: 8403.77, 0.00313396/step Wall: 8403.77, 0.00313396/step, 2.00991 hours remaining, 233.675781 MB of memory in use. ENERGY: 2691200 3953.5283 20618.9907 14474.7612 273.0104 -202779.7893 2418.8920 0.0000 0.0000 51968.1470 -109072.4597 298.6617 -161040.6067 -108710.6115 299.5155 -67.0741 -42.1461 761601.1601 -13.6399 -13.5278 PRESSURE: 2691400 268.169 -155.049 25.7867 -155.049 -237.798 89.9384 25.7855 89.9376 -377.279 GPRESSURE: 2691400 317.361 -107.051 61.6843 -61.2033 -241.2 144.393 -91.5192 51.1559 -352.414 PRESSAVG: 2691400 17.739 15.9496 45.0964 15.9496 15.9883 44.0569 45.0964 44.0569 -8.64172 GPRESSAVG: 2691400 17.077 16.0844 45.3228 15.4839 16.6051 45.1163 43.7458 42.6518 -8.74481 TIMING: 2691400 CPU: 8404.39, 0.00310806/step Wall: 8404.39, 0.00310806/step, 1.99313 hours remaining, 233.675781 MB of memory in use. ENERGY: 2691400 4045.1501 20573.7451 14451.4803 269.8229 -202954.1331 2462.5047 0.0000 0.0000 52066.9495 -109084.4805 299.2295 -161151.4300 -108732.1605 299.6915 -115.6360 -92.0841 763043.6347 8.3618 8.3124 PRESSURE: 2691600 28.4505 -198.331 41.5843 -198.332 -318.434 -79.9064 41.5838 -79.9065 144.5 GPRESSURE: 2691600 23.8448 -183.884 74.6173 -164.923 -227.531 -130.189 -56.8461 -2.90516 150.587 PRESSAVG: 2691600 38.6575 30.5542 21.4329 30.5542 -46.4888 -15.1801 21.4329 -15.18 -4.59906 GPRESSAVG: 2691600 38.2363 34.3424 21.5588 30.5489 -46.286 -15.4017 22.3008 -14.9806 -4.74248 TIMING: 2691600 CPU: 8405.02, 0.00310781/step Wall: 8405.02, 0.00310781/step, 1.9928 hours remaining, 233.675781 MB of memory in use. ENERGY: 2691600 4041.5277 20606.6685 14483.2384 266.9311 -203358.4454 2772.5830 0.0000 0.0000 52419.9595 -108767.5371 301.2582 -161187.4966 -108414.7162 300.0633 -48.4943 -17.6999 762201.3437 -4.1435 -4.2641 PRESSURE: 2691800 -153.787 -29.1046 -13.53 -29.1056 -315.718 -193.586 -13.5288 -193.586 100.685 GPRESSURE: 2691800 -126.669 63.4726 -8.23214 -79.1575 -236.291 -232.773 62.9669 -311.715 91.7995 PRESSAVG: 2691800 13.8594 -42.4603 -37.0406 -42.4603 -17.3072 29.2731 -37.0406 29.2731 4.00872 GPRESSAVG: 2691800 13.841 -44.7052 -37.4088 -42.316 -16.6902 29.3035 -35.529 29.2879 3.50968 TIMING: 2691800 CPU: 8405.64, 0.00310536/step Wall: 8405.64, 0.00310536/step, 1.99106 hours remaining, 233.675781 MB of memory in use. ENERGY: 2691800 3993.5064 20522.8445 14503.1570 254.7391 -202708.4039 2540.0132 0.0000 0.0000 52346.2740 -108547.8697 300.8348 -160894.1437 -108184.0746 300.8158 -122.9399 -90.3868 764634.0621 0.1870 0.2202 PRESSURE: 2692000 -258.625 15.9007 79.8157 15.9016 166.916 85.7422 79.8159 85.7434 69.0709 GPRESSURE: 2692000 -102.191 28.4186 66.7176 -97.1718 53.2903 47.9098 148.43 -29.6344 96.6662 PRESSAVG: 2692000 -9.94811 -19.819 7.40982 -19.8191 54.4356 3.68619 7.40989 3.68613 -8.09857 GPRESSAVG: 2692000 -9.69815 -23.1205 7.03947 -19.7291 52.8254 3.51553 5.1807 2.85358 -6.57471 TIMING: 2692000 CPU: 8406.27, 0.00315512/step Wall: 8406.27, 0.00315512/step, 2.02278 hours remaining, 233.675781 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: 2692000 3972.8749 20628.0277 14454.0687 266.6241 -202954.5823 2878.1731 0.0000 0.0000 52147.6415 -108607.1722 299.6932 -160754.8137 -108243.5478 300.2890 -7.5459 15.9217 764412.0932 12.1296 12.1842 PRESSURE: 2692200 262.985 -70.1751 48.1901 -70.1747 -12.6095 -71.6269 48.1895 -71.6283 -128.777 GPRESSURE: 2692200 251.545 -31.0211 31.5539 -71.4067 48.7687 -73.1885 51.5236 -56.6937 -91.7853 PRESSAVG: 2692200 46.555 -42.8461 25.7752 -42.8461 -37.609 33.6937 25.7752 33.6937 13.3456 GPRESSAVG: 2692200 47.2352 -40.8132 27.3609 -42.4183 -36.5818 34.8458 25.1648 35.092 12.3396 TIMING: 2692200 CPU: 8406.9, 0.00314342/step Wall: 8406.9, 0.00314342/step, 2.01511 hours remaining, 233.675781 MB of memory in use. ENERGY: 2692200 3947.4293 20623.8334 14508.6679 229.8411 -203159.2043 2703.1719 0.0000 0.0000 52290.5759 -108855.6848 300.5147 -161146.2607 -108490.9105 300.4888 40.5329 69.5094 762392.9223 7.4305 7.6644 LDB: ============= START OF LOAD BALANCING ============== 8419.38 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8419.38 LDB: =============== DONE WITH MIGRATION ================ 8419.38 LDB: ============= START OF LOAD BALANCING ============== 8419.7 LDB: Largest compute 7030 load 0.031898 is 16.3% of average load 0.195202 LDB: Average compute 0.004387 is 2.2% of average load 0.195202 LDB: TIME 8419.7 LOAD: AVG 0.195202 MAX 0.22122 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.73 MB LDB: TIME 8419.7 LOAD: AVG 0.195202 MAX 0.22122 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.734 MB LDB: TIME 8419.7 LOAD: AVG 0.195202 MAX 0.212643 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.734 MB LDB: ============== END OF LOAD BALANCING =============== 8419.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8419.71 PRESSURE: 2692400 -101.943 -129.607 -20.67 -129.606 -189.77 164.14 -20.6699 164.139 203.769 GPRESSURE: 2692400 -55.9171 -112.73 -70.6742 0.0062486 -120.051 152.378 103.771 131.579 189.086 PRESSAVG: 2692400 18.2382 -51.3201 -0.593625 -51.32 4.57149 41.1351 -0.59371 41.1351 -8.16103 GPRESSAVG: 2692400 17.7003 -50.7614 -0.704967 -50.8836 4.55968 40.7026 2.2703 39.8708 -7.47301 TIMING: 2692400 CPU: 8407.54, 0.00323759/step Wall: 8407.54, 0.00323759/step, 2.0753 hours remaining, 234.050781 MB of memory in use. ENERGY: 2692400 4038.2501 20597.8393 14449.6637 247.1295 -203141.3204 2604.1993 0.0000 0.0000 52395.2123 -108809.0262 301.1160 -161204.2385 -108443.2409 300.4693 -29.3145 4.3726 761811.0831 4.8829 4.9290 PRESSURE: 2692600 -13.3477 192.13 -35.3604 192.129 -144.813 -193.042 -35.3609 -193.042 -385.842 GPRESSURE: 2692600 -39.147 247.512 -28.0289 209.101 -177.236 -208.622 55.5649 -40.7871 -267.782 PRESSAVG: 2692600 27.9821 -38.2829 21.2648 -38.2829 -55.4886 -6.02886 21.2648 -6.02886 9.09217 GPRESSAVG: 2692600 28.0631 -36.4923 21.277 -37.6973 -54.5666 -3.77273 19.3697 -6.4746 7.66572 TIMING: 2692600 CPU: 8408.18, 0.00316422/step Wall: 8408.18, 0.00316422/step, 2.02809 hours remaining, 234.050781 MB of memory in use. ENERGY: 2692600 4022.8758 20679.1562 14397.5595 229.0729 -203146.5907 2677.5959 0.0000 0.0000 52179.5244 -108960.8061 299.8764 -161140.3305 -108597.7904 299.7200 -181.3343 -161.3885 762325.0459 -6.1381 -6.2792 PRESSURE: 2692800 -194.084 93.593 20.2266 93.5935 91.5526 -139.94 20.2262 -139.94 81.0677 GPRESSURE: 2692800 -154.445 51.3812 -58.2329 -67.1662 122.376 -61.5566 18.0625 -234.853 100.899 PRESSAVG: 2692800 0.699983 -77.3335 -0.478998 -77.3334 -40.9699 64.1772 -0.479076 64.1773 4.05618 GPRESSAVG: 2692800 -0.425949 -81.19 -1.41198 -76.1622 -40.2747 61.0423 0.74053 65.6585 4.74238 TIMING: 2692800 CPU: 8408.81, 0.00315858/step Wall: 8408.81, 0.00315858/step, 2.0243 hours remaining, 234.050781 MB of memory in use. ENERGY: 2692800 4021.2647 20463.9127 14533.3183 245.8265 -202900.6590 2461.3382 0.0000 0.0000 52159.2015 -109015.7971 299.7596 -161174.9986 -108647.7864 299.4291 -7.1547 22.9434 762281.7216 -12.0712 -11.9861 PRESSURE: 2693000 115.819 318.703 158.96 318.703 86.2965 59.3553 158.96 59.355 -71.2886 GPRESSURE: 2693000 111.474 295.741 70.3802 199.798 17.9843 60.4716 155.188 48.4548 69.631 PRESSAVG: 2693000 -47.555 -26.0525 -22.7333 -26.0525 29.7101 -13.8222 -22.7333 -13.8222 -14.0204 GPRESSAVG: 2693000 -45.6122 -24.6022 -22.8437 -27.3714 28.1032 -12.967 -23.515 -12.8024 -14.2526 TIMING: 2693000 CPU: 8409.43, 0.00311061/step Wall: 8409.43, 0.00311061/step, 1.99338 hours remaining, 234.050781 MB of memory in use. ENERGY: 2693000 4032.1787 20538.2311 14510.8944 239.7922 -203141.8194 2822.8049 0.0000 0.0000 52134.8922 -108863.0260 299.6199 -160997.9182 -108501.0298 299.7621 43.6089 66.3632 762511.1933 -10.6218 -10.5872 PRESSURE: 2693200 -99.4606 174.088 186.207 174.088 30.455 -23.3967 186.208 -23.397 48.3208 GPRESSURE: 2693200 31.327 214.307 133.685 220.933 29.5303 -42.7528 -2.0275 -21.07 -6.39803 PRESSAVG: 2693200 -25.641 6.79132 79.0327 6.79142 -2.71411 -35.0082 79.0327 -35.0083 -0.221139 GPRESSAVG: 2693200 -25.6512 5.19524 78.9974 6.26443 -2.98958 -35.1513 78.8573 -34.9384 0.20733 TIMING: 2693200 CPU: 8410.05, 0.0030973/step Wall: 8410.05, 0.0030973/step, 1.98468 hours remaining, 234.050781 MB of memory in use. ENERGY: 2693200 3938.7699 20559.8596 14493.8766 249.9654 -203272.9916 2892.3714 0.0000 0.0000 52306.4813 -108831.6674 300.6061 -161138.1487 -108469.6914 300.0108 -6.8949 18.1531 763354.2769 -9.5254 -9.4778 PRESSURE: 2693400 98.9885 201.628 202.409 201.629 -29.4855 -238.117 202.41 -238.117 -71.0962 GPRESSURE: 2693400 138.087 201.428 84.9397 111.429 14.7148 -232.849 181.206 -285.077 -60.0002 PRESSAVG: 2693400 -15.6116 23.8272 4.07922 23.8273 -13.8702 -19.7742 4.07922 -19.7742 14.8511 GPRESSAVG: 2693400 -15.9262 26.117 5.46313 23.7551 -13.8813 -18.6616 4.16379 -21.6543 14.3258 TIMING: 2693400 CPU: 8410.67, 0.0031146/step Wall: 8410.67, 0.0031146/step, 1.99559 hours remaining, 234.050781 MB of memory in use. ENERGY: 2693400 4050.2677 20539.7779 14447.8239 255.6916 -203433.5755 3027.4828 0.0000 0.0000 51866.5704 -109245.9613 298.0779 -161112.5318 -108882.8716 299.3133 -0.5311 30.9340 761573.3270 -4.8769 -5.1606 PRESSURE: 2693600 -238.613 -249.055 -35.9453 -249.055 -40.6822 -190.95 -35.946 -190.95 -231.113 GPRESSURE: 2693600 -264.512 -201.862 3.99714 -277.579 -8.49851 -174.146 -99.6471 -116.961 -158.825 PRESSAVG: 2693600 13.7329 -4.0945 37.5521 -4.09448 0.294988 -7.26142 37.552 -7.2615 -21.0104 GPRESSAVG: 2693600 13.2161 -4.11045 38.6229 -3.04755 0.945571 -6.28813 37.1965 -5.52172 -21.7477 TIMING: 2693600 CPU: 8411.29, 0.0031025/step Wall: 8411.29, 0.0031025/step, 1.98767 hours remaining, 234.050781 MB of memory in use. ENERGY: 2693600 3939.8141 20644.3008 14511.3889 236.9745 -202841.5766 2494.8387 0.0000 0.0000 51963.2829 -109050.9767 298.6337 -161014.2596 -108706.4301 299.3553 -170.1361 -143.9452 762424.0956 -2.3275 -2.5287 PRESSURE: 2693800 177.363 53.4778 -6.04833 53.4777 -415.516 67.236 -6.0483 67.2373 323.936 GPRESSURE: 2693800 218.233 1.96861 44.842 101.247 -255.575 41.7811 0.515928 65.9553 205.599 PRESSAVG: 2693800 98.9143 -10.7249 53.2407 -10.725 -94.9192 3.87163 53.2407 3.87157 -11.2836 GPRESSAVG: 2693800 98.8707 -12.6599 51.8386 -9.22161 -93.9999 3.88284 52.9873 1.74981 -11.5251 TIMING: 2693800 CPU: 8411.92, 0.00311221/step Wall: 8411.92, 0.00311221/step, 1.99372 hours remaining, 234.050781 MB of memory in use. ENERGY: 2693800 4068.3977 20385.7921 14461.0174 275.3414 -203792.6862 3064.3001 0.0000 0.0000 52260.1642 -109277.6732 300.3399 -161537.8374 -108913.0254 299.3597 28.5942 56.0856 761315.3650 -2.4295 -2.2181 PRESSURE: 2694000 -31.3027 -7.22686 35.4646 -7.22612 -30.8668 -193.477 35.4646 -193.478 -51.9726 GPRESSURE: 2694000 -62.4034 -34.1066 -17.8078 -11.4478 34.5872 -150.905 98.9042 -360.283 -26.6069 PRESSAVG: 2694000 68.2842 -18.1593 -16.9475 -18.1593 -49.1759 -10.4228 -16.9474 -10.4229 13.8873 GPRESSAVG: 2694000 68.5771 -17.6067 -15.9815 -19.4235 -50.6059 -11.0417 -15.903 -11.3296 14.3497 TIMING: 2694000 CPU: 8412.54, 0.00310392/step Wall: 8412.54, 0.00310392/step, 1.98823 hours remaining, 234.050781 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: 2694000 3973.1371 20604.0896 14482.7452 257.5332 -203363.6772 2745.5535 0.0000 0.0000 52051.8926 -109248.7260 299.1429 -161300.6186 -108886.7933 299.1519 -38.0474 -18.1410 761113.6023 10.9985 10.7737 PRESSURE: 2694200 263.944 -63.8627 399.787 -63.8629 16.4784 -172.304 399.788 -172.303 450.436 GPRESSURE: 2694200 262.612 -59.4309 361.895 11.1516 108.059 -198.139 311.641 -43.2985 433.893 PRESSAVG: 2694200 29.8271 47.1163 63.9529 47.1163 -76.0306 -35.5961 63.953 -35.596 8.6978 GPRESSAVG: 2694200 28.9236 48.1063 63.0488 46.3838 -75.0573 -35.8556 63.4159 -34.3501 8.07207 TIMING: 2694200 CPU: 8413.16, 0.00311835/step Wall: 8413.16, 0.00311835/step, 1.9973 hours remaining, 234.050781 MB of memory in use. ENERGY: 2694200 3962.2347 20558.7301 14458.7383 240.7362 -203720.8738 3258.2206 0.0000 0.0000 52086.2182 -109155.9956 299.3402 -161242.2138 -108799.5876 299.2660 243.6192 268.1878 762236.3682 -12.5019 -12.6872 PRESSURE: 2694400 -202.398 22.7038 161.936 22.7031 -83.0035 -84.1012 161.936 -84.0991 141.466 GPRESSURE: 2694400 -205.285 114.656 152.664 87.9725 -50.5537 -18.6026 222.416 -78.9535 204.481 PRESSAVG: 2694400 25.3842 -24.9325 16.353 -24.9326 -7.41252 5.68547 16.3529 5.68545 6.79871 GPRESSAVG: 2694400 24.3993 -24.754 16.6072 -25.5991 -7.34934 6.19806 15.767 6.28603 7.43314 TIMING: 2694400 CPU: 8413.79, 0.00312337/step Wall: 8413.79, 0.00312337/step, 2.00034 hours remaining, 234.050781 MB of memory in use. ENERGY: 2694400 4045.7843 20537.5412 14488.5148 253.0479 -203557.1559 2929.9477 0.0000 0.0000 51995.8375 -109306.4824 298.8208 -161302.3200 -108936.0300 299.6851 -47.9784 -17.1191 761391.1673 8.2568 8.1610 PRESSURE: 2694600 -85.8478 -176.672 -278.515 -176.671 -356.087 -94.5631 -278.515 -94.5623 -362.529 GPRESSURE: 2694600 7.28265 -127.412 -267.72 -340.362 -297.201 -89.2569 -143.493 -93.6178 -416.226 PRESSAVG: 2694600 16.512 12.978 18.9012 12.978 -10.0077 -67.2453 18.9012 -67.2454 10.7619 GPRESSAVG: 2694600 18.6218 13.4874 17.4068 14.052 -11.9694 -68.1492 20.6415 -66.1152 9.90835 TIMING: 2694600 CPU: 8414.41, 0.00314165/step Wall: 8414.41, 0.00314165/step, 2.01188 hours remaining, 234.050781 MB of memory in use. ENERGY: 2694600 4030.8028 20556.5510 14413.8063 249.2038 -202989.8981 2613.3285 0.0000 0.0000 51693.2605 -109432.9452 297.0819 -161126.2057 -109070.0911 298.7612 -268.1546 -235.3814 763875.6043 5.7554 5.5202 PRESSURE: 2694800 -51.1527 95.1699 72.0691 95.1698 -61.3781 -265.306 72.0686 -265.306 -118.504 GPRESSURE: 2694800 -45.1487 -23.4243 83.5594 99.8281 -50.6306 -325.506 124.648 -166.591 -65.9213 PRESSAVG: 2694800 -49.1836 -10.1806 47.173 -10.1806 9.2013 -26.7834 47.173 -26.7834 9.79892 GPRESSAVG: 2694800 -50.5286 -10.293 49.3327 -10.381 10.0764 -26.3938 45.0418 -28.1629 10.4101 TIMING: 2694800 CPU: 8415.04, 0.00313595/step Wall: 8415.04, 0.00313595/step, 2.00805 hours remaining, 234.050781 MB of memory in use. ENERGY: 2694800 3988.6064 20423.2006 14420.6793 249.9272 -203503.0109 2888.1306 0.0000 0.0000 51974.4001 -109558.0668 298.6976 -161532.4669 -109202.1703 298.4486 -77.0116 -53.9002 763937.9536 -10.0611 -10.0140 PRESSURE: 2695000 -252.156 66.6861 -267.244 66.6866 -360.312 -91.013 -267.244 -91.0139 -93.8242 GPRESSURE: 2695000 -164.561 31.0474 -275.244 121.094 -384.162 -58.1753 -233.588 -38.1647 -83.7347 PRESSAVG: 2695000 40.2464 9.85683 -5.92449 9.85679 -56.5737 9.62474 -5.92456 9.62476 -6.49929 GPRESSAVG: 2695000 40.3701 7.97997 -6.0056 10.2226 -56.5883 9.86443 -6.74712 11.6283 -6.81555 TIMING: 2695000 CPU: 8415.66, 0.00308538/step Wall: 8415.66, 0.00308538/step, 1.9755 hours remaining, 234.050781 MB of memory in use. ENERGY: 2695000 4012.7929 20621.7397 14512.0621 246.7220 -203160.9351 2521.3968 0.0000 0.0000 51976.4831 -109269.7385 298.7096 -161246.2217 -108902.4555 298.7207 -235.4307 -210.8192 763188.8177 -7.6089 -7.6779 PRESSURE: 2695200 42.8254 92.7958 -145.375 92.7962 46.9762 -112.145 -145.375 -112.144 -130.768 GPRESSURE: 2695200 102.871 30.0445 -118.922 34.4825 33.6527 2.4618 -134.114 -92.5828 -108.089 PRESSAVG: 2695200 -5.30123 -7.76387 4.83111 -7.76388 -3.20176 -83.0934 4.83107 -83.0934 17.3387 GPRESSAVG: 2695200 -4.7676 -4.48954 4.84782 -9.38508 -2.643 -83.1942 6.89681 -84.8044 16.2916 TIMING: 2695200 CPU: 8416.28, 0.00311177/step Wall: 8416.28, 0.00311177/step, 1.99222 hours remaining, 234.050781 MB of memory in use. ENERGY: 2695200 4044.8308 20590.5802 14516.1744 257.8970 -203321.4802 2652.6900 0.0000 0.0000 52020.7888 -109238.5190 298.9642 -161259.3078 -108879.9963 299.6499 -13.6554 9.4782 760852.7886 2.9452 2.9603 PRESSURE: 2695400 -173.941 174.114 -168.947 174.115 -252.308 -90.3762 -168.948 -90.3759 33.4916 GPRESSURE: 2695400 -104.364 79.4924 -200.536 175.853 -212.91 -79.5115 -104.223 10.455 28.7689 PRESSAVG: 2695400 32.9895 1.81803 -15.202 1.81809 -40.5733 -28.8481 -15.202 -28.8481 -12.7891 GPRESSAVG: 2695400 32.6185 0.398842 -15.7343 2.78977 -40.4419 -28.5348 -14.9972 -27.9607 -12.2313 TIMING: 2695400 CPU: 8416.91, 0.0031399/step Wall: 8416.91, 0.0031399/step, 2.01006 hours remaining, 234.050781 MB of memory in use. ENERGY: 2695400 3939.7091 20685.6682 14526.6026 245.2871 -203586.9899 2905.7802 0.0000 0.0000 52261.3873 -109022.5555 300.3469 -161283.9428 -108650.7975 299.7807 -130.9192 -96.1683 764225.7479 -6.7910 -6.6849 PRESSURE: 2695600 -59.5432 187.88 -225.841 187.879 137.595 -39.0383 -225.841 -39.0384 -183.355 GPRESSURE: 2695600 72.5209 205.078 -285.004 157.727 93.2739 -33.9482 -165.709 -130.76 -180.305 PRESSAVG: 2695600 5.89155 -21.4263 26.1274 -21.4263 -14.319 33.8535 26.1274 33.8535 -1.33061 GPRESSAVG: 2695600 6.15348 -21.9155 24.6852 -23.3038 -14.6687 33.8973 26.6437 33.0805 -0.616898 TIMING: 2695600 CPU: 8417.53, 0.00312721/step Wall: 8417.53, 0.00312721/step, 2.00176 hours remaining, 234.050781 MB of memory in use. ENERGY: 2695600 3997.7220 20501.3012 14621.8660 242.7639 -203214.5108 2680.0553 0.0000 0.0000 52274.7777 -108896.0247 300.4239 -161170.8024 -108531.9632 299.9168 -35.1011 -4.8366 762794.8357 -3.2527 -3.0440 PRESSURE: 2695800 -102.28 -29.2826 44.2839 -29.284 113.301 119.578 44.2842 119.577 328.882 GPRESSURE: 2695800 16.8349 -56.3914 115.258 86.0098 88.445 67.4769 86.3053 16.5042 280.003 PRESSAVG: 2695800 43.3945 -53.5186 1.4464 -53.5186 -18.0416 28.1916 1.44643 28.1916 6.09765 GPRESSAVG: 2695800 44.0478 -54.3348 4.40719 -52.0101 -18.407 27.9312 0.417714 28.3687 5.57583 TIMING: 2695800 CPU: 8418.16, 0.00315124/step Wall: 8418.16, 0.00315124/step, 2.01697 hours remaining, 234.050781 MB of memory in use. ENERGY: 2695800 3997.0091 20587.6249 14509.8526 253.1039 -203379.1943 2556.6035 0.0000 0.0000 52461.9124 -109013.0879 301.4993 -161475.0003 -108660.4979 300.1552 113.3011 128.4278 763430.1225 10.4835 10.4055 PRESSURE: 2696000 -193.11 64.8623 -71.1696 64.8622 117.603 28.9073 -71.1695 28.9075 -158.747 GPRESSURE: 2696000 -163.225 27.2422 -107.078 14.723 159.829 115.546 -146.164 68.1136 -129.841 PRESSAVG: 2696000 33.4134 -8.36746 8.81114 -8.36752 -27.8946 13.08 8.81118 13.08 -7.27884 GPRESSAVG: 2696000 32.9122 -7.31662 7.53072 -8.7163 -27.7014 11.2621 9.03654 14.603 -6.49756 TIMING: 2696000 CPU: 8418.79, 0.00314817/step Wall: 8418.79, 0.00314817/step, 2.01483 hours remaining, 234.050781 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: 2696000 3987.1255 20542.5690 14472.8101 259.6549 -202704.4522 2341.1669 0.0000 0.0000 51933.6401 -109167.4857 298.4633 -161101.1258 -108794.7597 300.1024 -78.0845 -44.4122 764168.7994 -0.5867 -0.4289 PRESSURE: 2696200 377.072 -232.771 118.382 -232.771 47.0878 126.388 118.381 126.387 15.8423 GPRESSURE: 2696200 415.606 -107.713 71.4487 -181.833 70.9363 125.429 150.294 206.393 21.0504 PRESSAVG: 2696200 14.4919 71.0989 -29.1903 71.099 -91.8174 -12.4987 -29.1903 -12.4988 1.75056 GPRESSAVG: 2696200 13.7257 71.1674 -30.2116 72.9191 -92.3361 -11.1961 -29.567 -13.2765 3.01662 TIMING: 2696200 CPU: 8419.42, 0.00314558/step Wall: 8419.42, 0.00314558/step, 2.013 hours remaining, 234.050781 MB of memory in use. ENERGY: 2696200 3977.9244 20526.8519 14483.4185 224.2824 -203492.9618 2967.6551 0.0000 0.0000 52018.4199 -109294.4097 298.9506 -161312.8296 -108931.6869 299.7205 146.6672 169.1977 764102.8928 -25.1916 -25.1979 LDB: ============= START OF LOAD BALANCING ============== 8431.9 LDB: ============== END OF LOAD BALANCING =============== 8431.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8431.91 LDB: ============= START OF LOAD BALANCING ============== 8432.22 LDB: Largest compute 7064 load 0.030625 is 15.7% of average load 0.195227 LDB: Average compute 0.004398 is 2.3% of average load 0.195227 LDB: TIME 8432.23 LOAD: AVG 0.195227 MAX 0.214931 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.332 MB LDB: TIME 8432.23 LOAD: AVG 0.195227 MAX 0.214931 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.332 MB LDB: TIME 8432.23 LOAD: AVG 0.195227 MAX 0.214931 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.332 MB LDB: ============== END OF LOAD BALANCING =============== 8432.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8432.24 PRESSURE: 2696400 -11.6776 62.7771 198.364 62.7766 250.079 2.0543 198.364 2.05368 507.341 GPRESSURE: 2696400 62.15 82.471 162.292 75.7827 315.371 39.0574 113.409 -114.652 472.789 PRESSAVG: 2696400 7.56614 -12.4738 17.8627 -12.4737 -29.278 28.3918 17.8627 28.3918 35.5696 GPRESSAVG: 2696400 7.89675 -12.4676 19.4479 -14.476 -27.865 27.225 15.9355 29.6269 33.8302 TIMING: 2696400 CPU: 8420.07, 0.00323477/step Wall: 8420.07, 0.00323477/step, 2.06989 hours remaining, 233.847656 MB of memory in use. ENERGY: 2696400 3940.4451 20667.8503 14425.8292 254.8384 -203470.6366 2855.7719 0.0000 0.0000 52031.6294 -109294.2723 299.0265 -161325.9017 -108948.6956 299.4708 248.5808 283.4366 762105.3254 4.6193 4.6207 PRESSURE: 2696600 94.1959 121.387 -156.19 121.387 -116.964 75.4218 -156.189 75.4211 333.577 GPRESSURE: 2696600 133.143 57.5842 -128.251 -20.0362 -95.3753 -9.23128 -130.435 19.15 341.519 PRESSAVG: 2696600 44.1744 -2.90324 6.8576 -2.90319 -38.8267 22.7301 6.8576 22.73 -9.20404 GPRESSAVG: 2696600 43.9072 -2.87189 5.94824 -1.17382 -39.4935 25.4345 8.96916 21.4378 -8.53002 TIMING: 2696600 CPU: 8420.7, 0.00314975/step Wall: 8420.7, 0.00314975/step, 2.01532 hours remaining, 233.847656 MB of memory in use. ENERGY: 2696600 4029.7900 20807.7249 14474.2496 230.5955 -203613.0717 2799.6581 0.0000 0.0000 52016.8385 -109254.2152 298.9415 -161271.0537 -108897.9545 299.9016 103.6027 126.4288 761937.2084 -1.2855 -1.3721 PRESSURE: 2696800 12.1214 -245.664 103.11 -245.664 -200.458 15.0658 103.11 15.0648 -134.454 GPRESSURE: 2696800 9.75596 -280.922 65.3327 -290.005 -75.0509 -14.3476 179.17 -108.984 -164.675 PRESSAVG: 2696800 9.22915 -31.0512 24.1947 -31.0512 14.9835 22.372 24.1947 22.372 10.6269 GPRESSAVG: 2696800 9.9295 -30.6938 24.7816 -33.6972 14.2816 20.1187 24.4635 23.3029 10.4921 TIMING: 2696800 CPU: 8421.34, 0.00318537/step Wall: 8421.34, 0.00318537/step, 2.03793 hours remaining, 233.847656 MB of memory in use. ENERGY: 2696800 3937.6836 20589.3075 14506.2315 244.0806 -203248.7811 2759.4497 0.0000 0.0000 52221.8183 -108990.2098 300.1195 -161212.0281 -108623.1643 300.0726 -107.5969 -76.6568 764466.8235 11.6132 11.5677 PRESSURE: 2697000 428.362 -2.85247 167.626 -2.85337 189.174 179.85 167.626 179.849 534.213 GPRESSURE: 2697000 353.704 65.882 125.135 102.551 294.92 209.794 188.603 143.54 600.784 PRESSAVG: 2697000 -13.5504 -13.4438 -0.560384 -13.4438 -0.90871 5.67298 -0.560358 5.673 -26.6486 GPRESSAVG: 2697000 -13.4691 -16.5091 0.644411 -10.7363 -0.346664 8.65697 -1.37467 3.23925 -26.828 TIMING: 2697000 CPU: 8421.97, 0.00316443/step Wall: 8421.97, 0.00316443/step, 2.02435 hours remaining, 233.847656 MB of memory in use. ENERGY: 2697000 3976.2551 20616.4829 14406.6569 234.7224 -203544.5160 2934.5266 0.0000 0.0000 52361.7629 -109014.1093 300.9238 -161375.8721 -108647.4957 299.7505 383.9164 416.4692 760699.9971 -13.7026 -13.5479 PRESSURE: 2697200 -21.3373 -8.12309 -127.637 -8.12237 -177.054 -29.1451 -127.637 -29.1457 -150.885 GPRESSURE: 2697200 1.09668 -20.775 -37.0467 44.6112 -79.7044 -28.3781 -38.3818 -45.4852 -199.373 PRESSAVG: 2697200 10.8625 -22.9114 16.0859 -22.9114 2.10598 24.915 16.0859 24.915 -5.1448 GPRESSAVG: 2697200 8.99519 -20.3184 16.3601 -24.2644 2.74899 22.4153 16.1552 25.7199 -4.55078 TIMING: 2697200 CPU: 8422.6, 0.00314505/step Wall: 8422.6, 0.00314505/step, 2.01179 hours remaining, 233.847656 MB of memory in use. ENERGY: 2697200 4067.8082 20606.0326 14388.0623 233.6881 -203364.3868 2833.2339 0.0000 0.0000 52177.9241 -109057.6376 299.8672 -161235.5617 -108695.7673 300.1451 -116.4253 -92.6604 762219.0148 2.6079 2.3978 PRESSURE: 2697400 218.774 -128.118 34.8163 -128.119 69.9975 -158.769 34.8154 -158.769 71.1002 GPRESSURE: 2697400 67.0091 -82.3479 -49.2641 -135.449 214.922 -148.434 89.2729 -166.607 158.534 PRESSAVG: 2697400 -70.1188 18.39 -27.0542 18.39 50.1851 -1.52208 -27.0543 -1.52211 -4.98086 GPRESSAVG: 2697400 -69.8204 18.0169 -30.3095 18.0755 50.1826 -1.27344 -26.4887 0.271909 -5.06294 TIMING: 2697400 CPU: 8423.22, 0.00312415/step Wall: 8423.22, 0.00312415/step, 1.99824 hours remaining, 233.847656 MB of memory in use. ENERGY: 2697400 3972.3275 20547.3886 14442.2528 255.5668 -203377.9990 2861.3839 0.0000 0.0000 52250.8244 -109048.2550 300.2862 -161299.0794 -108678.0013 300.2584 119.9574 146.8218 760635.2038 -8.3048 -8.2336 PRESSURE: 2697600 195.408 15.6302 18.5103 15.6307 4.37691 0.501265 18.5099 0.501288 361.467 GPRESSURE: 2697600 201.686 47.8296 23.126 -11.5069 54.0475 -9.91898 134.076 64.6746 376.357 PRESSAVG: 2697600 -3.98616 -42.286 14.7962 -42.286 27.1544 -1.10625 14.7961 -1.10624 -1.01565 GPRESSAVG: 2697600 -2.91848 -43.3383 16.8412 -42.2654 26.0811 -0.511769 13.2743 -2.65328 -0.524433 TIMING: 2697600 CPU: 8423.85, 0.00312656/step Wall: 8423.85, 0.00312656/step, 1.99961 hours remaining, 233.847656 MB of memory in use. ENERGY: 2697600 3917.4469 20658.8026 14456.7051 242.5932 -203520.1180 2835.4510 0.0000 0.0000 52255.2827 -109153.8365 300.3118 -161409.1192 -108787.3445 299.9306 187.0840 210.6969 762324.5111 7.3842 7.5461 PRESSURE: 2697800 -287.828 -12.8194 79.1827 -12.8197 75.3759 -67.5064 79.1817 -67.5068 -263.755 GPRESSURE: 2697800 -255.298 163.717 56.4948 21.0287 95.0301 -4.81847 96.2013 -137.254 -228.97 PRESSAVG: 2697800 -7.46037 -18.6961 -27.8899 -18.6961 38.1277 -8.98043 -27.89 -8.98041 -19.9106 GPRESSAVG: 2697800 -8.08298 -17.8586 -28.009 -16.3722 40.2104 -11.5815 -26.2576 -8.54085 -21.2681 TIMING: 2697800 CPU: 8424.47, 0.00310606/step Wall: 8424.47, 0.00310606/step, 1.98632 hours remaining, 233.847656 MB of memory in use. ENERGY: 2697800 4025.5606 20561.7442 14495.7021 252.0654 -203212.9584 2504.7240 0.0000 0.0000 52157.9026 -109215.2595 299.7522 -161373.1621 -108846.5012 299.3845 -158.7359 -129.7458 763388.0111 3.5856 3.6197 PRESSURE: 2698000 87.3338 61.5989 42.6112 61.5992 -202.592 320.962 42.612 320.962 -168.649 GPRESSURE: 2698000 135.61 -21.8769 -83.6914 48.8213 -183.784 302.177 130.967 324.365 -164.155 PRESSAVG: 2698000 -19.216 -1.31585 0.5353 -1.31584 -12.3937 24.9011 0.53537 24.9011 8.64307 GPRESSAVG: 2698000 -18.5676 -2.1853 0.743789 -0.350475 -14.2319 26.8997 -1.25292 24.1314 9.45436 TIMING: 2698000 CPU: 8425.11, 0.00317606/step Wall: 8425.11, 0.00317606/step, 2.03091 hours remaining, 233.847656 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: 2698000 4071.1343 20517.8780 14476.3281 237.8281 -203475.5824 2825.5943 0.0000 0.0000 52138.9321 -109207.8876 299.6432 -161346.8196 -108848.8677 299.3595 -94.6356 -70.7762 762474.2964 -7.6555 -7.7817 PRESSURE: 2698200 359.424 -82.6546 -86.0737 -82.655 -372.001 -132.724 -86.0746 -132.723 291.38 GPRESSURE: 2698200 293.706 17.2352 -67.1434 -127.864 -192.509 -180.633 12.6502 -110.876 260.365 PRESSAVG: 2698200 22.8495 -49.6455 30.727 -49.6456 -16.4254 -9.04042 30.7269 -9.04032 -15.4595 GPRESSAVG: 2698200 21.9096 -48.6477 29.9174 -52.0631 -15.4498 -9.37857 32.7369 -8.67121 -15.6546 TIMING: 2698200 CPU: 8425.74, 0.00316121/step Wall: 8425.74, 0.00316121/step, 2.02124 hours remaining, 233.847656 MB of memory in use. ENERGY: 2698200 4037.9648 20606.1566 14455.8940 257.2670 -203197.1179 2619.6834 0.0000 0.0000 52048.9692 -109171.1829 299.1261 -161220.1521 -108809.8769 299.5586 92.9343 120.5205 762053.5901 -3.0118 -3.0649 PRESSURE: 2698400 471.756 -113.714 -155.971 -113.714 66.7818 301.453 -155.972 301.452 425.173 GPRESSURE: 2698400 445.868 -11.4323 -190.05 -143.844 165.796 337.746 49.788 446.851 449.99 PRESSAVG: 2698400 28.2702 -50.9188 34.2414 -50.9187 -15.7407 43.7767 34.2414 43.7767 8.4378 GPRESSAVG: 2698400 29.8079 -50.5108 33.2413 -51.5898 -16.659 44.3944 31.9564 44.4026 8.1245 TIMING: 2698400 CPU: 8426.37, 0.00314843/step Wall: 8426.37, 0.00314843/step, 2.01289 hours remaining, 233.847656 MB of memory in use. ENERGY: 2698400 3983.5049 20555.1955 14460.7852 259.0830 -203677.8002 3200.1177 0.0000 0.0000 52036.2106 -109182.9032 299.0528 -161219.1138 -108831.5146 299.1894 321.2369 353.8849 763070.9680 6.9891 7.0911 PRESSURE: 2698600 193.095 74.8362 7.56617 74.836 -308.96 77.1459 7.56671 77.1451 102.379 GPRESSURE: 2698600 148.783 -68.7929 81.4966 8.82459 -217.619 132.192 -58.6264 -108.604 143.661 PRESSAVG: 2698600 -10.7177 -50.2237 23.2437 -50.2238 3.60459 -14.6032 23.2437 -14.6031 3.01226 GPRESSAVG: 2698600 -13.5733 -51.0885 24.328 -48.9111 4.96601 -15.4467 22.9163 -15.9563 4.10208 TIMING: 2698600 CPU: 8426.99, 0.00312086/step Wall: 8426.99, 0.00312086/step, 1.9951 hours remaining, 233.847656 MB of memory in use. ENERGY: 2698600 3974.6261 20635.4558 14480.8437 252.2421 -202990.3521 2555.1994 0.0000 0.0000 52078.0592 -109013.9258 299.2933 -161091.9850 -108644.1017 299.5739 -4.4953 24.9418 764283.1554 -1.3670 -1.5017 PRESSURE: 2698800 188.516 -1.08682 20.588 -1.0875 147.621 21.2025 20.5884 21.2021 -22.0178 GPRESSURE: 2698800 185.752 -124.838 0.441072 24.0152 231.59 96.8235 20.6072 -70.2035 -20.9068 PRESSAVG: 2698800 24.7301 -14.5641 42.4146 -14.5641 -26.6948 3.77631 42.4146 3.7763 4.92357 GPRESSAVG: 2698800 26.4246 -13.5673 42.8262 -14.749 -26.7882 7.64154 42.2837 1.43399 3.32256 TIMING: 2698800 CPU: 8427.62, 0.00313167/step Wall: 8427.62, 0.00313167/step, 2.00183 hours remaining, 233.847656 MB of memory in use. ENERGY: 2698800 3996.0094 20666.1753 14521.8965 272.1617 -203826.4530 3141.6878 0.0000 0.0000 52306.9453 -108921.5770 300.6087 -161228.5223 -108559.0315 300.3907 104.7061 132.1449 762577.2306 0.9863 0.9863 PRESSURE: 2699000 -409.627 -30.8785 -17.1285 -30.8795 -273.46 -47.9234 -17.1287 -47.9239 191.184 GPRESSURE: 2699000 -340.435 -33.1514 -23.7022 -59.5724 -296.349 -39.7683 -70.367 1.75987 198.003 PRESSAVG: 2699000 9.90011 -47.048 37.3127 -47.048 11.7033 -30.2453 37.3127 -30.2453 18.2823 GPRESSAVG: 2699000 10.9249 -48.2884 36.8378 -46.7851 10.1916 -32.6122 39.5286 -28.1313 19.159 TIMING: 2699000 CPU: 8428.24, 0.00313653/step Wall: 8428.24, 0.00313653/step, 2.00477 hours remaining, 233.847656 MB of memory in use. ENERGY: 2699000 4040.0300 20714.1633 14490.9668 236.8682 -203175.8598 2530.1709 0.0000 0.0000 52369.0922 -108794.5683 300.9659 -161163.6605 -108421.8788 300.4154 -163.9677 -146.2603 765946.7147 13.2952 13.4251 PRESSURE: 2699200 -336.57 101.214 59.6976 101.215 179.985 138.313 59.6978 138.314 -205.971 GPRESSURE: 2699200 -220.507 140.129 -5.69659 105.621 184.247 190.705 127.985 114.567 -214.867 PRESSAVG: 2699200 23.8016 -33.1258 9.21501 -33.1258 -78.707 40.679 9.21504 40.6789 4.13417 GPRESSAVG: 2699200 23.9874 -33.3881 9.78829 -32.2347 -78.1739 40.2471 8.52056 41.4419 3.63348 TIMING: 2699200 CPU: 8428.87, 0.00314906/step Wall: 8428.87, 0.00314906/step, 2.0126 hours remaining, 233.847656 MB of memory in use. ENERGY: 2699200 3980.0084 20689.5764 14448.7165 263.9638 -202900.6392 2648.1841 0.0000 0.0000 52195.6267 -108674.5633 299.9690 -160870.1900 -108315.2393 300.2360 -120.8522 -83.7090 763702.2357 -16.9237 -16.8510 PRESSURE: 2699400 -264.78 161.449 63.1589 161.449 -128.035 -100.992 63.1586 -100.992 -178.716 GPRESSURE: 2699400 -197.01 -12.287 84.8507 86.3419 -70.7612 -116.233 115.094 -173.265 -217.812 PRESSAVG: 2699400 2.13043 -3.2469 -1.5629 -3.24688 24.8352 26.193 -1.56287 26.193 9.43608 GPRESSAVG: 2699400 1.46234 -1.53192 -1.58321 -4.33966 25.96 24.8092 -0.979882 27.3663 9.55948 TIMING: 2699400 CPU: 8429.52, 0.00321164/step Wall: 8429.52, 0.00321164/step, 2.05242 hours remaining, 233.847656 MB of memory in use. ENERGY: 2699400 4073.1918 20629.9588 14471.7118 254.7743 -203217.1315 2666.8473 0.0000 0.0000 52329.6022 -108791.0453 300.7389 -161120.6475 -108424.2121 300.4934 -190.5105 -161.8611 764203.6869 12.1339 12.3273 PRESSURE: 2699600 -29.08 -105.307 10.1875 -105.307 -85.2476 -133.835 10.188 -133.834 153.576 GPRESSURE: 2699600 20.9671 -71.7264 -38.3047 -93.0157 -77.1718 -66.2036 22.4975 -199.465 186.899 PRESSAVG: 2699600 14.9821 5.57005 37.064 5.57006 -12.8434 -7.53966 37.0639 -7.53958 -12.7138 GPRESSAVG: 2699600 15.2102 5.28509 36.2023 4.59277 -15.6121 -6.05311 39.1863 -10.4837 -10.2846 TIMING: 2699600 CPU: 8430.16, 0.00319241/step Wall: 8430.16, 0.00319241/step, 2.03995 hours remaining, 233.847656 MB of memory in use. ENERGY: 2699600 3977.1045 20628.3471 14486.9166 252.7375 -203173.3419 2751.8498 0.0000 0.0000 52214.3481 -108862.0385 300.0766 -161076.3865 -108488.1445 300.3874 13.0827 43.5648 761824.0600 -3.5250 -3.5622 PRESSURE: 2699800 131.666 -5.76565 128.405 -5.76564 277.973 -236.587 128.405 -236.588 -55.5324 GPRESSURE: 2699800 213.532 151.5 98.999 90.1332 295.57 -200.268 39.1664 -264.027 -61.8983 PRESSAVG: 2699800 -7.23908 -13.0981 7.82623 -13.0981 26.0073 5.05488 7.82624 5.05485 -1.39347 GPRESSAVG: 2699800 -7.36245 -14.5353 8.68634 -10.9624 27.2275 4.08114 7.69142 7.37155 -2.78298 TIMING: 2699800 CPU: 8430.79, 0.00318473/step Wall: 8430.79, 0.00318473/step, 2.03486 hours remaining, 233.847656 MB of memory in use. ENERGY: 2699800 4012.9544 20575.9023 14395.4395 249.6457 -203224.3612 2707.5761 0.0000 0.0000 52294.7965 -108988.0467 300.5389 -161282.8432 -108618.9741 299.8375 118.0356 149.0679 760987.7217 5.7916 5.6940 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2700000 WRITING COORDINATES TO RESTART FILE AT STEP 2700000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2700000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2700000 -72.8336 -58.309 236.655 -58.3087 -307.363 203.242 236.656 203.244 -130.006 GPRESSURE: 2700000 -35.6594 -20.3064 210.526 -114.441 -314.669 118.598 93.2395 262.097 -69.5093 PRESSAVG: 2700000 34.23 -10.7725 -37.6364 -10.7726 -16.6508 29.8398 -37.6363 29.8398 -10.4278 GPRESSAVG: 2700000 34.1082 -10.4144 -39.6211 -10.4167 -16.8144 30.2805 -38.5571 29.124 -10.0925 TIMING: 2700000 CPU: 8431.45, 0.00328427/step Wall: 8431.45, 0.00328427/step, 2.09828 hours remaining, 233.847656 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: 2700000 4090.2865 20594.0194 14444.6864 263.9321 -202924.1654 2395.8916 0.0000 0.0000 52149.4825 -108985.8671 299.7038 -161135.3496 -108626.0622 300.1802 -170.0674 -139.9459 761885.5597 2.3838 2.4004 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2700000 PRESSURE: 2700200 -442.332 -78.2872 -203.32 -78.2863 -197.525 133.933 -203.32 133.933 -165.089 GPRESSURE: 2700200 -340.68 -106.862 -118.253 -67.6919 -243.298 177.182 -236.732 -46.1227 -131.342 PRESSAVG: 2700200 26.241 -61.2659 -47.785 -61.2659 -17.0594 -44.7112 -47.785 -44.7112 16.1373 GPRESSAVG: 2700200 26.0958 -59.7219 -45.3966 -62.9194 -17.0113 -43.9664 -47.2337 -44.6385 16.1328 TIMING: 2700200 CPU: 8432.08, 0.0031653/step Wall: 8432.08, 0.0031653/step, 2.0221 hours remaining, 233.847656 MB of memory in use. ENERGY: 2700200 4068.4485 20541.8022 14513.1880 247.8394 -202831.2720 2580.1598 0.0000 0.0000 52015.1155 -108864.7186 298.9316 -160879.8341 -108500.5836 299.7539 -268.3156 -238.4400 761810.8906 8.4396 8.4057 LDB: ============= START OF LOAD BALANCING ============== 8444.57 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8444.57 LDB: =============== DONE WITH MIGRATION ================ 8444.57 LDB: ============= START OF LOAD BALANCING ============== 8444.88 LDB: Largest compute 7069 load 0.032679 is 16.7% of average load 0.195219 LDB: Average compute 0.004392 is 2.2% of average load 0.195219 LDB: TIME 8444.88 LOAD: AVG 0.195219 MAX 0.21688 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.109 MB LDB: TIME 8444.89 LOAD: AVG 0.195219 MAX 0.21688 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.203 MB LDB: TIME 8444.89 LOAD: AVG 0.195219 MAX 0.21688 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.203 MB LDB: ============== END OF LOAD BALANCING =============== 8444.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8444.89 PRESSURE: 2700400 307.987 -54.5198 -99.1837 -54.5195 87.0583 14.4351 -99.1831 14.4356 187.701 GPRESSURE: 2700400 208.811 -126.748 -167.087 -40.8662 224.137 -125.063 -175.443 -75.558 239.724 PRESSAVG: 2700400 -22.9585 15.6902 -11.7509 15.6902 38.3823 -28.3009 -11.7509 -28.301 15.5954 GPRESSAVG: 2700400 -23.4202 15.4201 -9.7321 15.7137 39.0105 -27.6975 -13.1243 -28.1998 15.5773 TIMING: 2700400 CPU: 8432.73, 0.00322098/step Wall: 8432.73, 0.00322098/step, 2.05749 hours remaining, 235.082031 MB of memory in use. ENERGY: 2700400 3912.6887 20582.8783 14467.0092 257.4445 -203011.5353 2738.0134 0.0000 0.0000 51980.5110 -109072.9903 298.7327 -161053.5013 -108718.7828 299.6549 194.2488 224.2240 761064.9292 10.3397 10.3892 PRESSURE: 2700600 250.549 -63.7406 9.42728 -63.7405 240.439 -5.84159 9.42765 -5.84131 -350.612 GPRESSURE: 2700600 265.678 -82.8873 76.3694 -17.4712 230.962 16.7305 54.7326 92.199 -280.059 PRESSAVG: 2700600 -19.8468 -75.3189 -22.931 -75.319 45.3059 8.9658 -22.9309 8.96582 11.9365 GPRESSAVG: 2700600 -20.4391 -74.2314 -24.2887 -76.3574 45.6676 7.26823 -23.6641 10.005 11.9886 TIMING: 2700600 CPU: 8433.36, 0.00316769/step Wall: 8433.36, 0.00316769/step, 2.02328 hours remaining, 235.082031 MB of memory in use. ENERGY: 2700600 3948.7322 20531.4876 14532.9658 268.5456 -203264.0861 2885.5042 0.0000 0.0000 52089.3967 -109007.4541 299.3585 -161096.8508 -108657.9145 298.9498 46.7923 72.1938 762158.8960 12.4652 12.4057 PRESSURE: 2700800 -214.56 -177.808 -110.334 -177.807 9.23758 -11.0466 -110.334 -11.0458 -127.812 GPRESSURE: 2700800 -95.2473 -76.7154 -120.5 -234.979 -66.3216 -77.2391 -66.4638 146.118 -99.0594 PRESSAVG: 2700800 -19.3589 -66.4205 -25.8735 -66.4206 20.2023 26.1951 -25.8735 26.195 17.7027 GPRESSAVG: 2700800 -18.0596 -67.6189 -28.0424 -66.2316 19.1451 26.4273 -23.7587 22.8864 17.3409 TIMING: 2700800 CPU: 8433.99, 0.00316002/step Wall: 8433.99, 0.00316002/step, 2.0182 hours remaining, 235.082031 MB of memory in use. ENERGY: 2700800 3940.2163 20500.6821 14522.1913 244.9387 -203256.7282 2793.7749 0.0000 0.0000 52230.5653 -109024.3596 300.1698 -161254.9249 -108657.8795 299.3201 -111.0451 -86.8761 763333.2951 6.1820 6.1421 PRESSURE: 2701000 -78.3937 -80.7293 52.4174 -80.7295 -3.31625 -70.9077 52.4163 -70.9076 -305.966 GPRESSURE: 2701000 -37.0506 -159.586 126.049 -73.7232 -68.6237 -81.6094 77.8125 -60.2313 -208.67 PRESSAVG: 2701000 48.4035 -34.1282 -24.4219 -34.1282 -37.1239 0.519697 -24.4219 0.519603 -2.95792 GPRESSAVG: 2701000 48.217 -33.4434 -21.7491 -32.6901 -36.7744 0.435962 -24.6323 2.91383 -3.07708 TIMING: 2701000 CPU: 8434.62, 0.00312846/step Wall: 8434.62, 0.00312846/step, 1.99787 hours remaining, 235.082031 MB of memory in use. ENERGY: 2701000 3946.1944 20444.5360 14543.9254 239.9156 -202643.0129 2411.2736 0.0000 0.0000 52038.4507 -109018.7172 299.0657 -161057.1679 -108655.8391 299.3457 -129.2254 -104.7814 764048.0962 2.7739 2.7885 PRESSURE: 2701200 47.8644 16.8978 -130.881 16.8985 -33.5508 -10.0788 -130.88 -10.0796 -72.253 GPRESSURE: 2701200 179.84 -145.293 -82.6705 -134.214 -109.965 -36.2289 -142.125 15.9869 -61.8784 PRESSAVG: 2701200 14.2439 -62.6192 10.2694 -62.6192 15.0673 -24.8763 10.2693 -24.8763 -2.13175 GPRESSAVG: 2701200 14.0068 -64.1022 10.2891 -61.4433 14.5367 -24.3677 10.0424 -25.6072 -1.84862 TIMING: 2701200 CPU: 8435.25, 0.0031427/step Wall: 8435.25, 0.0031427/step, 2.00679 hours remaining, 235.082031 MB of memory in use. ENERGY: 2701200 4006.1858 20612.6633 14459.9083 246.4302 -203253.7188 2823.7622 0.0000 0.0000 51926.6833 -109178.0857 298.4234 -161104.7690 -108824.2512 299.1775 -19.3131 2.6654 763009.3538 9.0598 8.8983 PRESSURE: 2701400 -92.9673 15.1743 164.76 15.1737 -83.587 35.1329 164.761 35.1324 -34.9237 GPRESSURE: 2701400 -64.6286 -18.9981 67.4527 -28.5836 4.87505 80.2348 44.815 30.872 -59.3327 PRESSAVG: 2701400 -7.50322 -44.8257 -16.1878 -44.8257 6.00872 -1.06246 -16.1877 -1.06236 16.0958 GPRESSAVG: 2701400 -7.85864 -44.6669 -17.4257 -45.0492 6.78424 -1.06651 -15.4857 -2.40105 15.9348 TIMING: 2701400 CPU: 8435.88, 0.00314639/step Wall: 8435.88, 0.00314639/step, 2.00897 hours remaining, 235.082031 MB of memory in use. ENERGY: 2701400 4005.9940 20519.2041 14512.0832 252.6966 -203670.1322 2975.8703 0.0000 0.0000 52039.4314 -109364.8528 299.0713 -161404.2842 -109008.3104 299.2227 -70.4927 -39.6954 762484.7414 4.8671 4.9535 PRESSURE: 2701600 -87.0953 -180.884 118.37 -180.884 149.6 120.013 118.369 120.013 346.374 GPRESSURE: 2701600 -52.9012 -159.659 108.196 -137.035 216.689 91.574 140.251 145.093 334.052 PRESSAVG: 2701600 -39.7579 -32.642 22.3015 -32.642 22.2124 -35.4396 22.3015 -35.4397 -9.60357 GPRESSAVG: 2701600 -40.6253 -31.3996 22.2141 -34.8336 23.0029 -35.8336 20.5372 -33.8936 -9.39685 TIMING: 2701600 CPU: 8436.5, 0.00313624/step Wall: 8436.5, 0.00313624/step, 2.00231 hours remaining, 235.082031 MB of memory in use. ENERGY: 2701600 3932.9494 20507.1482 14432.4351 264.9929 -203721.9806 3044.7312 0.0000 0.0000 52164.9685 -109374.7555 299.7928 -161539.7240 -109015.3425 298.2506 136.2930 165.9464 762007.0234 -9.0497 -9.0064 PRESSURE: 2701800 66.3846 225.506 159.159 225.505 188.732 -50.4004 159.157 -50.3993 302.364 GPRESSURE: 2701800 14.2618 196.977 82.9497 170.19 273.7 47.1312 129.2 -90.7034 341.277 PRESSAVG: 2701800 -22.2084 38.6148 13.8177 38.6148 44.1564 -4.93533 13.8177 -4.93531 -8.39712 GPRESSAVG: 2701800 -21.8542 39.713 14.6153 39.4794 44.8842 -2.64778 15.7512 -4.69455 -9.58694 TIMING: 2701800 CPU: 8437.13, 0.00314708/step Wall: 8437.13, 0.00314708/step, 2.00906 hours remaining, 235.082031 MB of memory in use. ENERGY: 2701800 4022.8092 20656.8848 14492.2119 250.8439 -203435.1437 2868.9940 0.0000 0.0000 51915.3579 -109228.0421 298.3583 -161143.3999 -108857.4929 299.0089 185.8268 209.7461 763763.6965 4.5169 4.4810 PRESSURE: 2702000 -94.9125 -202.512 -16.8633 -202.511 -305.675 -76.3406 -16.8627 -76.3408 -118.457 GPRESSURE: 2702000 -42.7615 -137.941 13.9699 -29.2473 -239.251 -133.349 4.51597 -17.8615 -123.799 PRESSAVG: 2702000 -29.1981 -27.8958 6.6131 -27.8959 6.21901 30.3466 6.61309 30.3466 -0.21663 GPRESSAVG: 2702000 -28.6293 -27.1415 5.20952 -24.8168 4.04562 28.4771 5.25385 30.0806 1.8141 TIMING: 2702000 CPU: 8437.76, 0.00311451/step Wall: 8437.76, 0.00311451/step, 1.9881 hours remaining, 235.082031 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: 2702000 3969.5182 20503.2159 14502.3085 242.0969 -203092.5746 2584.3326 0.0000 0.0000 52181.1205 -109109.9820 299.8856 -161291.1025 -108738.5171 299.1077 -173.0147 -135.2705 763654.6760 -7.7319 -7.5899 PRESSURE: 2702200 -38.5032 67.1355 85.3862 67.1352 -102.496 -205.976 85.3863 -205.976 616.067 GPRESSURE: 2702200 57.2873 113.462 166.884 157.55 -47.0979 -180.968 102.603 -167.44 521.219 PRESSAVG: 2702200 -14.2947 10.1824 3.97285 10.1825 17.5604 3.91812 3.97286 3.9181 13.7443 GPRESSAVG: 2702200 -14.2801 9.00341 4.43558 7.78851 17.9508 4.15975 4.54021 3.30639 13.2655 TIMING: 2702200 CPU: 8438.38, 0.00313552/step Wall: 8438.38, 0.00313552/step, 2.00133 hours remaining, 235.082031 MB of memory in use. ENERGY: 2702200 4006.3217 20568.0817 14516.2125 246.0566 -203600.2982 3033.7724 0.0000 0.0000 52392.7379 -108837.1154 301.1018 -161229.8533 -108471.3021 299.7138 158.3561 177.1362 762585.3597 5.6700 5.6454 PRESSURE: 2702400 -281.792 236.637 -60.7285 236.638 -241.548 -91.0786 -60.7277 -91.0789 187.576 GPRESSURE: 2702400 -203.189 231.009 -89.1925 144.529 -197.38 13.3093 -95.2749 -93.5908 142.857 PRESSAVG: 2702400 -37.1663 33.2764 12.614 33.2763 40.5088 17.8194 12.614 17.8194 -0.642017 GPRESSAVG: 2702400 -35.8816 31.076 13.5986 34.644 40.6912 18.7488 11.9991 17.4072 -1.94089 TIMING: 2702400 CPU: 8439.01, 0.00311587/step Wall: 8439.01, 0.00311587/step, 1.98862 hours remaining, 235.082031 MB of memory in use. ENERGY: 2702400 3994.6864 20704.9380 14477.7760 254.3577 -203083.6471 2617.5920 0.0000 0.0000 52192.4075 -108841.8894 299.9505 -161034.2969 -108479.5347 299.8899 -111.9210 -85.9039 763162.9773 0.9002 0.9562 PRESSURE: 2702600 -117.507 21.5509 -128.521 21.5508 -118.421 134.459 -128.521 134.459 12.7378 GPRESSURE: 2702600 -128.698 -54.6155 -148.674 11.2485 -43.5166 135.751 -158.205 63.7666 33.7968 PRESSAVG: 2702600 6.27137 26.824 12.2124 26.8239 -13.2346 22.33 12.2125 22.33 19.2634 GPRESSAVG: 2702600 4.34462 28.2079 11.9367 25.4703 -11.8234 21.7416 12.3139 23.3396 19.523 TIMING: 2702600 CPU: 8439.63, 0.00312862/step Wall: 8439.63, 0.00312862/step, 1.99658 hours remaining, 235.082031 MB of memory in use. ENERGY: 2702600 4016.2203 20402.6720 14416.9398 235.1713 -202887.8604 2716.5906 0.0000 0.0000 52281.8961 -108818.3703 300.4648 -161100.2664 -108446.4655 300.0759 -74.3965 -46.1392 764882.7169 4.1001 4.0147 PRESSURE: 2702800 -150.492 -145.903 -101.168 -145.903 -89.9557 -106.824 -101.168 -106.826 -44.204 GPRESSURE: 2702800 -94.7124 -123.694 -74.3602 -282.217 -51.5524 -147.421 -84.0159 -102.654 -52.1761 PRESSAVG: 2702800 -53.7555 0.994814 12.8813 0.994823 70.985 3.95196 12.8814 3.9519 14.5816 GPRESSAVG: 2702800 -54.0391 -0.0618689 13.5362 2.07132 70.6217 3.22277 12.927 3.62617 15.7938 TIMING: 2702800 CPU: 8440.26, 0.00312511/step Wall: 8440.26, 0.00312511/step, 1.99416 hours remaining, 235.082031 MB of memory in use. ENERGY: 2702800 3972.7791 20757.2011 14524.4310 242.3800 -202868.5276 2579.1308 0.0000 0.0000 52287.1702 -108505.4353 300.4951 -160792.6055 -108144.5415 300.4040 -94.8840 -66.1470 763416.9114 10.6037 10.7921 PRESSURE: 2703000 96.6018 65.0717 52.9531 65.0721 131.287 192.232 52.9533 192.231 181.221 GPRESSURE: 2703000 162.215 70.3472 43.6476 97.9954 182.162 145.238 102.904 121.294 144.17 PRESSAVG: 2703000 -54.7423 -4.34289 -1.70649 -4.34291 97.4445 -30.1133 -1.70649 -30.1134 1.57847 GPRESSAVG: 2703000 -53.8704 -2.44039 -3.50154 -4.49018 96.4324 -30.1558 0.303517 -29.9896 1.85713 TIMING: 2703000 CPU: 8440.88, 0.00312568/step Wall: 8440.88, 0.00312568/step, 1.99436 hours remaining, 235.082031 MB of memory in use. ENERGY: 2703000 3968.9767 20683.2048 14490.6571 250.0185 -203385.8742 2897.3610 0.0000 0.0000 52613.7345 -108481.9218 302.3719 -161095.6562 -108120.1546 300.7491 136.3699 162.8491 762796.1471 14.7602 14.8064 PRESSURE: 2703200 -20.5854 101.001 -18.2809 101.001 99.3725 -277.031 -18.2817 -277.032 -34.1928 GPRESSURE: 2703200 88.2324 63.2616 -72.5801 74.0593 165.649 -258.62 41.2465 -116.976 -105.736 PRESSAVG: 2703200 8.8841 -8.99419 -13.4625 -8.99414 -25.278 -50.1855 -13.4625 -50.1855 -10.708 GPRESSAVG: 2703200 8.9565 -7.64276 -12.0251 -9.452 -24.3469 -48.0585 -14.5011 -49.6883 -11.1635 TIMING: 2703200 CPU: 8441.51, 0.0031339/step Wall: 8441.51, 0.0031339/step, 1.99943 hours remaining, 235.082031 MB of memory in use. ENERGY: 2703200 3960.6122 20428.4166 14531.3345 238.4459 -202727.4961 2691.1530 0.0000 0.0000 52596.5747 -108280.9591 302.2732 -160877.5338 -107912.9586 300.9056 14.8648 49.3820 764579.7817 -9.0340 -8.8513 PRESSURE: 2703400 279.258 -43.9307 -146.859 -43.9304 2.90596 109.241 -146.859 109.24 249.543 GPRESSURE: 2703400 286.659 -50.2976 -32.9301 11.2014 86.9405 171.599 -114.763 -10.2194 207.312 PRESSAVG: 2703400 -8.56986 -44.9154 -15.9965 -44.9154 17.1784 51.072 -15.9964 51.0721 9.12166 GPRESSAVG: 2703400 -7.2316 -47.62 -16.2567 -42.6919 17.1728 50.9347 -13.7028 51.1763 6.93225 TIMING: 2703400 CPU: 8442.13, 0.00312749/step Wall: 8442.13, 0.00312749/step, 1.99516 hours remaining, 235.082031 MB of memory in use. ENERGY: 2703400 4022.1668 20789.2225 14510.2476 245.0660 -202950.5390 2889.5599 0.0000 0.0000 52154.1910 -108340.0850 299.7309 -160494.2760 -107990.6199 300.7693 177.2356 193.6373 763598.9433 5.9101 5.6245 PRESSURE: 2703600 375.69 -114.641 123.733 -114.642 99.24 -43.6702 123.732 -43.6693 67.1369 GPRESSURE: 2703600 300.151 -172.641 100.482 -114.164 194.627 -21.2951 -17.0953 4.34394 105.681 PRESSAVG: 2703600 6.28054 -28.8109 9.99742 -28.811 1.89969 -7.49908 9.99748 -7.49905 -1.85228 GPRESSAVG: 2703600 3.60813 -27.8803 10.3747 -30.3872 2.73323 -9.2659 7.60846 -7.60742 -0.0852506 TIMING: 2703600 CPU: 8442.76, 0.00313422/step Wall: 8442.76, 0.00313422/step, 1.99928 hours remaining, 235.082031 MB of memory in use. ENERGY: 2703600 3973.6472 20693.1191 14463.1794 242.3498 -203169.2757 2754.6484 0.0000 0.0000 52515.3962 -108526.9357 301.8067 -161042.3319 -108163.1754 300.8249 180.6888 200.1533 763707.2955 2.1093 2.0854 PRESSURE: 2703800 -54.0219 -63.966 16.1091 -63.9652 40.1268 -19.0382 16.1084 -19.0387 56.7602 GPRESSURE: 2703800 -64.9219 -101.122 6.28447 -5.3323 79.3974 -81.8688 131.016 -96.0352 106.896 PRESSAVG: 2703800 -33.5354 -50.4506 -16.9868 -50.4506 28.7681 -56.225 -16.9868 -56.2249 5.36344 GPRESSAVG: 2703800 -32.8481 -51.0975 -16.7355 -49.9162 29.6602 -55.2679 -17.8998 -57.5253 4.3944 TIMING: 2703800 CPU: 8443.38, 0.00311596/step Wall: 8443.38, 0.00311596/step, 1.98746 hours remaining, 235.082031 MB of memory in use. ENERGY: 2703800 4000.7725 20686.4785 14474.2612 249.3713 -203111.0482 2904.3586 0.0000 0.0000 52210.3058 -108585.5004 300.0533 -160795.8061 -108218.9247 300.6764 14.2884 40.4571 765669.8431 0.1987 0.4022 PRESSURE: 2704000 -254.481 -304.065 265.844 -304.066 34.3082 -222.585 265.844 -222.584 152.765 GPRESSURE: 2704000 -172.499 -247.888 206.719 -324.515 41.8248 -190.184 268.542 -47.7097 134.623 PRESSAVG: 2704000 -7.09228 -60.5356 -32.5625 -60.5356 15.9559 -24.5577 -32.5624 -24.5577 16.1837 GPRESSAVG: 2704000 -5.22785 -60.5979 -33.3647 -59.0449 14.2092 -24.4872 -31.1458 -23.155 16.0721 TIMING: 2704000 CPU: 8444.01, 0.00312889/step Wall: 8444.01, 0.00312889/step, 1.99554 hours remaining, 235.082031 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: 2704000 3984.9739 20534.3155 14470.2836 257.1254 -202923.4013 2669.7124 0.0000 0.0000 52375.7755 -108631.2150 301.0043 -161006.9905 -108264.5507 300.2865 -22.4696 1.3165 764887.5712 8.3491 8.3512 PRESSURE: 2704200 -55.1789 53.932 -94.3954 53.9321 81.9862 42.4104 -94.3954 42.41 142.655 GPRESSURE: 2704200 -9.08584 46.8494 -7.29765 10.9026 83.5081 15.1917 -59.0455 25.632 159.769 PRESSAVG: 2704200 16.2582 -60.2727 29.4713 -60.2726 -15.7486 65.6211 29.4713 65.621 -21.5194 GPRESSAVG: 2704200 14.3416 -61.1196 32.0382 -61.4828 -14.5552 65.4263 26.9209 64.082 -20.8378 TIMING: 2704200 CPU: 8444.63, 0.00312647/step Wall: 8444.63, 0.00312647/step, 1.99382 hours remaining, 235.082031 MB of memory in use. ENERGY: 2704200 4007.1591 20549.3774 14459.2350 234.9539 -203389.5080 3062.4013 0.0000 0.0000 52164.7483 -108911.6331 299.7915 -161076.3814 -108552.4220 300.0524 56.4875 78.0638 764149.6809 -7.0033 -7.0171 LDB: ============= START OF LOAD BALANCING ============== 8457.11 LDB: ============== END OF LOAD BALANCING =============== 8457.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8457.11 LDB: ============= START OF LOAD BALANCING ============== 8457.43 LDB: Largest compute 7064 load 0.031549 is 16.2% of average load 0.195046 LDB: Average compute 0.004420 is 2.3% of average load 0.195046 LDB: TIME 8457.43 LOAD: AVG 0.195046 MAX 0.21508 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.367 MB LDB: TIME 8457.43 LOAD: AVG 0.195046 MAX 0.21508 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.438 MB LDB: TIME 8457.43 LOAD: AVG 0.195046 MAX 0.21508 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.438 MB LDB: ============== END OF LOAD BALANCING =============== 8457.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8457.44 PRESSURE: 2704400 -77.0102 -32.4358 227.527 -32.4363 -300.268 36.437 227.527 36.4377 -164.798 GPRESSURE: 2704400 -55.0872 -150.147 197.67 68.3858 -243.881 102.747 141.399 -144.55 -148.994 PRESSAVG: 2704400 27.7289 -2.2552 -18.8453 -2.25524 -29.2152 -23.6653 -18.8453 -23.6652 23.314 GPRESSAVG: 2704400 28.3421 -2.87637 -20.7121 -1.8575 -28.9134 -23.4325 -17.3395 -24.2809 22.0895 TIMING: 2704400 CPU: 8445.27, 0.00318761/step Wall: 8445.27, 0.00318761/step, 2.03263 hours remaining, 234.570312 MB of memory in use. ENERGY: 2704400 4040.1586 20644.1584 14429.2829 249.1812 -202922.5350 2478.1607 0.0000 0.0000 52062.9276 -109018.6655 299.2064 -161081.5932 -108655.2574 300.2449 -180.6921 -149.3207 763437.7293 7.2759 7.1727 PRESSURE: 2704600 -58.4101 -10.1487 -240.05 -10.1491 -288.843 -205.218 -240.049 -205.216 -182.256 GPRESSURE: 2704600 -99.1218 -12.4733 -242.425 -58.266 -256.512 -110.105 -147.194 -97.6275 -89.2246 PRESSAVG: 2704600 28.3943 -23.2579 -9.09265 -23.2579 6.47727 20.6512 -9.09263 20.6512 5.94463 GPRESSAVG: 2704600 27.5427 -22.6294 -8.6897 -22.5825 5.85593 18.6881 -10.1076 24.8379 6.94763 TIMING: 2704600 CPU: 8445.9, 0.00313029/step Wall: 8445.9, 0.00313029/step, 1.99591 hours remaining, 234.570312 MB of memory in use. ENERGY: 2704600 4041.0183 20416.1359 14412.2819 263.8963 -202997.6593 2555.4105 0.0000 0.0000 52052.5581 -109256.3583 299.1468 -161308.9165 -108891.5632 299.5168 -176.5033 -148.2862 763020.6458 13.6054 13.4488 PRESSURE: 2704800 378.361 19.3867 -16.0801 19.3873 183.203 -123.352 -16.0801 -123.352 -85.9315 GPRESSURE: 2704800 402.715 59.166 23.362 82.6418 202.862 -73.9919 77.7663 -59.6437 -40.5649 PRESSAVG: 2704800 39.0269 -15.9051 -46.6876 -15.9052 -42.9156 -32.3564 -46.6876 -32.3563 23.4548 GPRESSAVG: 2704800 39.2699 -14.6548 -47.5013 -19.1554 -42.3492 -30.595 -45.4272 -33.8503 22.5514 TIMING: 2704800 CPU: 8446.53, 0.00313944/step Wall: 8446.53, 0.00313944/step, 2.00157 hours remaining, 234.570312 MB of memory in use. ENERGY: 2704800 4020.6496 20379.2124 14476.6795 248.2199 -203575.4046 3159.7573 0.0000 0.0000 52046.1940 -109244.6919 299.1102 -161290.8859 -108878.0739 298.6745 158.5441 188.3375 763267.7492 6.5220 6.4907 PRESSURE: 2705000 -121.476 -84.0971 112.531 -84.0966 20.8561 -15.0666 112.531 -15.065 306.752 GPRESSURE: 2705000 -181.785 -15.4354 198.756 -116.058 134.448 -36.1913 81.3825 -11.6197 343.755 PRESSAVG: 2705000 35.6322 -39.8168 18.0186 -39.8167 -23.0926 49.73 18.0187 49.7301 18.3206 GPRESSAVG: 2705000 35.2251 -42.7562 18.5158 -38.1445 -24.1177 49.4729 17.6291 49.3999 19.5316 TIMING: 2705000 CPU: 8447.16, 0.00316455/step Wall: 8447.16, 0.00316455/step, 2.0174 hours remaining, 234.570312 MB of memory in use. ENERGY: 2705000 3956.9215 20328.9563 14549.7159 240.9940 -203649.0821 3020.9708 0.0000 0.0000 52281.6174 -109269.9062 300.4632 -161551.5237 -108905.9737 299.1189 68.7108 98.8061 762079.9830 10.2868 10.2130 PRESSURE: 2705200 -105.515 97.3638 -239.114 97.3636 -257.302 -157.287 -239.114 -157.287 -173.546 GPRESSURE: 2705200 -85.2185 200.811 -187.525 -61.1679 -167.152 -98.7039 -316.459 -121.75 -199.778 PRESSAVG: 2705200 -34.7257 28.7704 -63.3976 28.7705 10.0979 25.9973 -63.3976 25.9974 31.3435 GPRESSAVG: 2705200 -34.1491 31.3606 -64.7379 27.1791 11.2857 25.8776 -62.9612 25.6116 29.9749 TIMING: 2705200 CPU: 8447.79, 0.00315303/step Wall: 8447.79, 0.00315303/step, 2.00988 hours remaining, 234.570312 MB of memory in use. ENERGY: 2705200 3981.9403 20389.1883 14470.2264 250.2363 -203315.6457 2886.9461 0.0000 0.0000 52116.1407 -109220.9677 299.5122 -161337.1083 -108860.8280 298.8805 -178.7877 -150.7161 764897.0056 2.2386 2.3705 PRESSURE: 2705400 -507.427 -87.3056 -322.431 -87.3058 -471.669 76.5176 -322.429 76.5178 -471.849 GPRESSURE: 2705400 -392.966 -165.704 -226.671 -52.0627 -515.912 81.0476 -127.465 116.843 -464.793 PRESSAVG: 2705400 -32.1187 1.67946 -9.43186 1.67949 0.234785 71.023 -9.43184 71.023 -8.41893 GPRESSAVG: 2705400 -32.0845 2.23038 -8.29435 3.4377 -0.287598 70.9862 -10.7033 70.2836 -7.61557 TIMING: 2705400 CPU: 8448.42, 0.00314749/step Wall: 8448.42, 0.00314749/step, 2.00618 hours remaining, 234.570312 MB of memory in use. ENERGY: 2705400 3996.6615 20522.8721 14468.7193 263.9441 -202939.6113 2625.6957 0.0000 0.0000 51966.4437 -109095.2750 298.6519 -161061.7187 -108739.3330 299.0505 -483.6485 -457.8904 765555.0158 -13.4343 -13.3292 PRESSURE: 2705600 -36.1149 -48.5338 98.7721 -48.5341 -238.935 80.0745 98.7724 80.0746 -286.384 GPRESSURE: 2705600 -63.6148 -39.6016 100.902 60.6372 -236.368 48.5662 141.027 38.2073 -175.073 PRESSAVG: 2705600 46.3512 15.5598 -0.882089 15.5598 -35.2056 43.5244 -0.882067 43.5243 14.8604 GPRESSAVG: 2705600 48.0859 15.2356 -1.07654 14.663 -36.1381 44.204 -1.29976 42.8524 14.0188 TIMING: 2705600 CPU: 8449.04, 0.00311741/step Wall: 8449.04, 0.00311741/step, 1.98683 hours remaining, 234.570312 MB of memory in use. ENERGY: 2705600 3979.0420 20468.3292 14524.7782 231.6522 -203262.1248 2839.6432 0.0000 0.0000 52101.5100 -109117.1700 299.4281 -161218.6800 -108747.6135 299.2209 -187.1446 -158.3520 764563.1875 8.6687 8.6556 PRESSURE: 2705800 -90.0323 -41.1606 -37.6212 -41.1608 -35.5882 -154.884 -37.6212 -154.884 -35.8084 GPRESSURE: 2705800 -43.4936 -32.6696 -10.4799 -74.0915 18.7471 -185.665 -165.274 -116.072 -33.7912 PRESSAVG: 2705800 -16.0742 -23.5115 23.8978 -23.5115 11.8086 20.0417 23.8978 20.0417 -48.6225 GPRESSAVG: 2705800 -16.6793 -24.7958 24.104 -21.7263 13.023 17.7508 24.6208 20.5937 -48.6724 TIMING: 2705800 CPU: 8449.67, 0.00313247/step Wall: 8449.67, 0.00313247/step, 1.99625 hours remaining, 234.570312 MB of memory in use. ENERGY: 2705800 3878.8142 20594.7516 14545.6547 252.7110 -202835.6294 2606.7540 0.0000 0.0000 52165.8431 -108791.1008 299.7978 -160956.9439 -108428.2011 299.4916 -53.8096 -19.5126 765336.2037 -17.6294 -17.4429 PRESSURE: 2706000 210.475 -210.968 -138.18 -210.967 590.954 196.355 -138.18 196.354 -101.756 GPRESSURE: 2706000 340.275 -68.875 -150.222 -165.946 511.002 187.221 -8.38429 144.834 -68.4832 PRESSAVG: 2706000 -0.0830387 -66.5875 31.3999 -66.5875 25.1164 47.5953 31.3999 47.5953 -16.6088 GPRESSAVG: 2706000 -0.915576 -65.6909 30.9516 -68.5056 25.5663 48.4884 32.3291 46.2718 -16.6324 TIMING: 2706000 CPU: 8450.29, 0.00312921/step Wall: 8450.29, 0.00312921/step, 1.994 hours remaining, 234.570312 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: 2706000 3920.0408 20547.5289 14486.4728 241.2329 -203404.0643 3156.5038 0.0000 0.0000 52167.3366 -108884.9485 299.8064 -161052.2851 -108518.0961 300.0695 233.2242 260.9314 765038.8574 2.8082 2.6728 PRESSURE: 2706200 -47.1915 -63.7056 146.976 -63.7053 79.4741 9.9726 146.975 9.97201 143.831 GPRESSURE: 2706200 -11.3862 -57.2838 82.1995 -65.2637 13.903 -65.918 69.3227 81.7228 255.017 PRESSAVG: 2706200 47.0943 -14.7427 14.2833 -14.7427 -5.08425 51.3333 14.2832 51.3332 2.33088 GPRESSAVG: 2706200 46.9692 -16.051 13.9419 -12.482 -6.73085 51.2203 11.8643 53.6598 3.19764 TIMING: 2706200 CPU: 8450.92, 0.00314297/step Wall: 8450.92, 0.00314297/step, 2.0026 hours remaining, 234.570312 MB of memory in use. ENERGY: 2706200 4033.6479 20534.8678 14535.5704 255.0085 -203053.2732 2726.4214 0.0000 0.0000 52067.4190 -108900.3382 299.2322 -160967.7572 -108534.1205 299.3797 58.7046 85.8447 762944.4739 14.7803 14.4787 PRESSURE: 2706400 90.6094 36.3657 29.1217 36.3651 -117.235 -316.355 29.1216 -316.356 23.2592 GPRESSURE: 2706400 35.2703 3.62668 10.298 102.124 22.2048 -278.516 -83.7486 -262.362 6.74368 PRESSAVG: 2706400 0.0206993 17.0194 -40.8735 17.0194 -25.8444 64.7348 -40.8736 64.7348 3.47876 GPRESSAVG: 2706400 -1.34132 21.4931 -39.364 14.5114 -23.879 63.5956 -40.1715 65.9158 2.82358 TIMING: 2706400 CPU: 8451.55, 0.00315104/step Wall: 8451.55, 0.00315104/step, 2.00756 hours remaining, 234.570312 MB of memory in use. ENERGY: 2706400 3989.4133 20526.3608 14545.1239 270.1567 -203237.5073 2838.1507 0.0000 0.0000 52104.9762 -108963.3256 299.4480 -161068.3018 -108595.3600 299.3389 -1.1221 21.4062 764350.3455 -7.4483 -7.4656 PRESSURE: 2706600 -58.3085 40.6012 80.0686 40.6018 -214.436 -59.1988 80.0692 -59.2002 -280.987 GPRESSURE: 2706600 0.347863 26.19 -22.1447 11.5652 -185.101 -59.0133 137.003 -133.441 -272.72 PRESSAVG: 2706600 -53.7312 -5.58627 -68.9498 -5.58623 74.5532 -22.817 -68.9499 -22.8171 16.4787 GPRESSAVG: 2706600 -51.6168 -8.30284 -71.1849 -3.76777 71.6366 -21.4663 -69.472 -23.6822 16.5492 TIMING: 2706600 CPU: 8452.18, 0.00313789/step Wall: 8452.18, 0.00313789/step, 1.99901 hours remaining, 234.570312 MB of memory in use. ENERGY: 2706600 4098.1432 20461.6224 14390.7532 255.9726 -202986.5455 2775.1332 0.0000 0.0000 52042.1332 -108962.7877 299.0869 -161004.9208 -108596.6695 299.1394 -184.5770 -152.4912 764923.7838 12.4336 12.1897 PRESSURE: 2706800 -13.2995 -30.1472 159.464 -30.1473 134.526 -362.176 159.465 -362.175 133.19 GPRESSURE: 2706800 5.91486 -135.988 195.686 -103.177 84.48 -365.217 84.7452 -391.272 248.915 PRESSAVG: 2706800 -36.6635 -31.9145 -40.9119 -31.9145 35.8409 -59.4469 -40.9119 -59.4468 -17.1534 GPRESSAVG: 2706800 -36.8525 -30.6292 -38.9415 -32.3381 37.3638 -60.3944 -40.458 -61.3748 -18.082 TIMING: 2706800 CPU: 8452.81, 0.00314385/step Wall: 8452.81, 0.00314385/step, 2.00263 hours remaining, 234.570312 MB of memory in use. ENERGY: 2706800 3926.9885 20619.3267 14557.0330 231.5390 -203351.4686 2956.5224 0.0000 0.0000 52267.4298 -108792.6292 300.3816 -161060.0590 -108423.3391 299.5526 84.8056 113.1032 762292.9094 -5.9920 -5.8569 PRESSURE: 2707000 49.278 -37.8223 -115.647 -37.8215 -194.78 107.269 -115.648 107.268 174.088 GPRESSURE: 2707000 29.1348 61.8256 -105.911 16.3367 -23.5947 116.012 -55.3922 106.525 112.894 PRESSAVG: 2707000 -11.0677 30.858 -16.4033 30.858 33.0563 35.0085 -16.4033 35.0085 12.8339 GPRESSAVG: 2707000 -11.1553 30.7504 -17.7752 28.74 33.7463 37.7149 -15.784 35.8689 12.5994 TIMING: 2707000 CPU: 8453.43, 0.00312202/step Wall: 8453.43, 0.00312202/step, 1.98855 hours remaining, 234.570312 MB of memory in use. ENERGY: 2707000 3954.6664 20672.6435 14427.7140 245.6448 -202871.4545 2453.8383 0.0000 0.0000 52251.5037 -108865.4438 300.2901 -161116.9475 -108502.1987 299.6991 9.5288 39.4781 763535.0170 11.6075 11.7301 PRESSURE: 2707200 107.503 -14.1288 -188.421 -14.1284 -101.801 236.985 -188.422 236.985 -263.202 GPRESSURE: 2707200 96.8001 14.8438 -202.902 0.737136 -119.054 141.809 -153.388 267.901 -150.779 PRESSAVG: 2707200 -25.6845 16.235 5.11722 16.235 4.15351 68.2092 5.11721 68.2092 33.1058 GPRESSAVG: 2707200 -24.8212 15.7118 5.90087 17.1133 3.42126 65.0103 5.23306 68.8182 33.1056 TIMING: 2707200 CPU: 8454.06, 0.00314609/step Wall: 8454.06, 0.00314609/step, 2.00371 hours remaining, 234.570312 MB of memory in use. ENERGY: 2707200 4083.1985 20563.0619 14493.3379 269.4400 -202963.3999 2540.1083 0.0000 0.0000 51933.6624 -109080.5910 298.4635 -161014.2533 -108713.0849 300.0874 -85.8335 -57.6775 762199.3641 3.8582 3.9019 PRESSURE: 2707400 -168.725 60.8429 -10.8941 60.8436 6.30827 213.881 -10.8943 213.881 180.372 GPRESSURE: 2707400 -114.868 30.8331 35.4134 105.237 0.837979 115.614 -15.3268 143.255 220.533 PRESSAVG: 2707400 37.5441 6.47913 25.8144 6.47913 7.20076 24.5334 25.8144 24.5334 29.8055 GPRESSAVG: 2707400 36.3586 5.29464 24.2248 6.85384 7.03349 25.3049 27.5513 23.6995 30.9609 TIMING: 2707400 CPU: 8454.69, 0.0031347/step Wall: 8454.69, 0.0031347/step, 1.99628 hours remaining, 234.570312 MB of memory in use. ENERGY: 2707400 3931.3844 20660.7523 14549.0843 252.0351 -203540.3786 2781.4254 0.0000 0.0000 52364.5839 -109001.1131 300.9400 -161365.6969 -108636.7463 299.8092 5.9854 35.5012 763078.7471 24.8501 24.7843 PRESSURE: 2707600 -166.98 64.9255 -151.078 64.9259 -36.4545 -187.95 -151.079 -187.95 41.2871 GPRESSURE: 2707600 -187.015 -30.5641 -214.347 149.706 103.754 -100.247 -77.0352 -110.416 24.0794 PRESSAVG: 2707600 34.0451 -5.84167 -16.903 -5.84165 -41.773 13.1162 -16.9031 13.1161 -22.2021 GPRESSAVG: 2707600 33.5655 -6.97628 -15.436 -4.94384 -39.7178 13.5633 -19.0942 12.5947 -22.9978 TIMING: 2707600 CPU: 8455.32, 0.00314215/step Wall: 8455.32, 0.00314215/step, 2.00085 hours remaining, 234.570312 MB of memory in use. ENERGY: 2707600 3995.4972 20554.9335 14513.2707 251.4384 -203306.8592 2666.6690 0.0000 0.0000 52254.2152 -109070.8353 300.3057 -161325.0504 -108704.1528 299.6937 -54.0492 -19.7271 762668.8203 -9.9766 -9.7167 PRESSURE: 2707800 66.3163 30.7584 315.626 30.7588 493.002 -35.0841 315.626 -35.0824 -49.708 GPRESSURE: 2707800 114.775 44.4864 305.643 -70.7684 461.414 -98.2532 284.573 93.7598 16.6018 PRESSAVG: 2707800 -2.77416 37.4344 0.907659 37.4343 1.26623 37.5384 0.907676 37.5384 11.8014 GPRESSAVG: 2707800 -1.81508 39.8036 1.75764 36.6919 0.642533 38.2115 0.885822 38.7728 11.2918 TIMING: 2707800 CPU: 8455.95, 0.00313981/step Wall: 8455.95, 0.00313981/step, 1.99919 hours remaining, 234.570312 MB of memory in use. ENERGY: 2707800 3997.9480 20729.0668 14561.5847 267.3906 -203679.5090 2868.0523 0.0000 0.0000 52228.2332 -109027.2335 300.1564 -161255.4667 -108675.0502 299.8833 169.8701 197.5969 761956.6788 3.4312 3.3731 PRESSURE: 2708000 -492.609 -310.59 44.8162 -310.59 -343.067 -138.608 44.8158 -138.609 -134.009 GPRESSURE: 2708000 -534.707 -254.914 13.0268 -349.515 -281.327 -132.224 88.9561 -69.8393 -60.6477 PRESSAVG: 2708000 -34.3598 -12.3804 -20.7907 -12.3805 23.7741 37.9177 -20.7907 37.9177 16.1124 GPRESSAVG: 2708000 -34.76 -12.045 -20.7135 -12.7654 23.039 37.023 -22.7463 38.8556 17.4474 TIMING: 2708000 CPU: 8456.57, 0.00311198/step Wall: 8456.57, 0.00311198/step, 1.98129 hours remaining, 234.570312 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: 2708000 4027.5689 20732.3851 14503.2603 240.1094 -203014.0040 2431.8009 0.0000 0.0000 52176.0255 -108902.8539 299.8563 -161078.8795 -108544.6566 299.7471 -323.2283 -292.2272 763129.4033 1.8422 1.9088 PRESSURE: 2708200 48.5167 -129.22 66.5006 -129.222 -239.266 -164.301 66.5008 -164.301 95.8213 GPRESSURE: 2708200 45.1943 -115.351 81.5687 -96.8751 -175.798 -220.487 83.1903 -121.869 117.203 PRESSAVG: 2708200 4.09146 -6.19459 -23.2004 -6.19462 -10.2507 -31.4839 -23.2003 -31.484 6.22536 GPRESSAVG: 2708200 6.57248 -6.75049 -21.5946 -2.93014 -10.7391 -32.1726 -23.1602 -32.3836 4.27368 TIMING: 2708200 CPU: 8457.19, 0.00312323/step Wall: 8457.19, 0.00312323/step, 1.98828 hours remaining, 234.570312 MB of memory in use. ENERGY: 2708200 4017.0370 20729.5984 14487.8625 250.9725 -203258.1151 2780.5537 0.0000 0.0000 52006.5575 -108985.5334 298.8824 -160992.0909 -108630.9328 299.6540 -31.6426 -4.4671 760507.8469 0.0221 0.0357 LDB: ============= START OF LOAD BALANCING ============== 8469.67 LDB: ============== END OF LOAD BALANCING =============== 8469.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8469.67 LDB: ============= START OF LOAD BALANCING ============== 8469.99 LDB: Largest compute 7064 load 0.030810 is 15.8% of average load 0.195199 LDB: Average compute 0.004401 is 2.3% of average load 0.195199 LDB: TIME 8469.99 LOAD: AVG 0.195199 MAX 0.216842 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.023 MB LDB: TIME 8469.99 LOAD: AVG 0.195199 MAX 0.216842 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.227 MB LDB: TIME 8469.99 LOAD: AVG 0.195199 MAX 0.216842 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.227 MB LDB: ============== END OF LOAD BALANCING =============== 8469.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8470 PRESSURE: 2708400 -93.3723 18.7721 -65.1665 18.7715 -250.333 18.9811 -65.167 18.9797 -162.334 GPRESSURE: 2708400 -10.8212 114.327 15.2804 7.44688 -250.813 -37.5363 -143.038 -31.6759 -152.925 PRESSAVG: 2708400 -0.0189153 -13.1128 8.16413 -13.1128 14.7109 46.7795 8.16408 46.7796 -21.0039 GPRESSAVG: 2708400 -1.52534 -10.8216 6.76373 -15.8371 15.0449 47.2605 6.72715 45.8409 -19.812 TIMING: 2708400 CPU: 8457.83, 0.00319341/step Wall: 8457.83, 0.00319341/step, 2.03278 hours remaining, 235.535156 MB of memory in use. ENERGY: 2708400 3969.7028 20609.1627 14443.5629 266.1696 -203094.5178 2597.3195 0.0000 0.0000 52099.7950 -109108.8053 299.4182 -161208.6003 -108740.3233 299.4293 -168.6799 -138.1863 762655.9540 -2.1040 -2.0975 PRESSURE: 2708600 123.624 -89.4438 -72.072 -89.4442 18.4398 15.9617 -72.0715 15.9626 -105.661 GPRESSURE: 2708600 177.463 -67.8687 -161.461 -143.018 50.3466 41.4835 65.1426 3.42874 -102.67 PRESSAVG: 2708600 -15.5424 2.43766 12.2204 2.43762 8.50536 -13.1038 12.2204 -13.1037 6.50585 GPRESSAVG: 2708600 -16.1757 -0.0773765 12.0247 2.46884 10.111 -13.1062 13.7275 -13.7501 5.49432 TIMING: 2708600 CPU: 8458.46, 0.00312843/step Wall: 8458.46, 0.00312843/step, 1.99125 hours remaining, 235.738281 MB of memory in use. ENERGY: 2708600 3902.5782 20519.9804 14351.5435 254.4736 -203217.1790 2811.6549 0.0000 0.0000 52283.5830 -109093.3654 300.4745 -161376.9484 -108716.7295 299.3049 12.1341 41.7132 761318.8343 -0.1771 -0.1901 PRESSURE: 2708800 126.089 8.84573 -188.811 8.8452 467.396 -96.2756 -188.812 -96.2753 -31.6235 GPRESSURE: 2708800 135.853 10.553 -96.2985 22.419 526.442 -87.8435 -282.005 58.7928 -6.09699 PRESSAVG: 2708800 8.95862 -49.834 -20.7763 -49.834 13.1405 19.1095 -20.7764 19.1096 14.2776 GPRESSAVG: 2708800 10.1453 -49.2939 -22.3657 -48.4074 11.2622 19.1792 -19.2166 20.9861 15.0597 TIMING: 2708800 CPU: 8459.09, 0.0031587/step Wall: 8459.09, 0.0031587/step, 2.01034 hours remaining, 235.738281 MB of memory in use. ENERGY: 2708800 4017.9174 20602.7788 14446.1105 255.3060 -203005.3978 2648.9889 0.0000 0.0000 52055.7747 -108978.5215 299.1653 -161034.2962 -108621.2610 299.5878 187.2872 218.7328 762287.7506 12.1256 12.1557 PRESSURE: 2709000 -190.48 129.514 131.663 129.514 60.5712 38.5183 131.662 38.5173 -111.3 GPRESSURE: 2709000 -116.642 146.059 25.9007 122.242 80.0549 -43.3309 82.3733 -39.9169 -121.097 PRESSAVG: 2709000 -33.781 -3.18482 -5.83633 -3.18479 49.3222 -3.77837 -5.83635 -3.77836 16.4822 GPRESSAVG: 2709000 -35.1401 -2.2885 -4.25931 -4.67441 51.4212 -2.34551 -6.3254 -5.88764 15.6335 TIMING: 2709000 CPU: 8459.72, 0.00314545/step Wall: 8459.72, 0.00314545/step, 2.00173 hours remaining, 235.738281 MB of memory in use. ENERGY: 2709000 4000.2193 20549.4166 14486.7592 238.4422 -202918.5661 2626.7762 0.0000 0.0000 52120.2236 -108896.7290 299.5356 -161016.9526 -108525.4485 299.6799 -80.4029 -52.5611 764534.8554 10.6745 10.6382 PRESSURE: 2709200 128.377 -11.3698 -156.443 -11.37 -245.519 -7.56671 -156.443 -7.56669 167.618 GPRESSURE: 2709200 85.34 18.0054 -167.097 13.1628 -102.743 -42.5758 -39.1043 47.5648 155.366 PRESSAVG: 2709200 -42.3563 -46.1051 14.778 -46.1051 54.2694 -12.7078 14.778 -12.7077 -12.3693 GPRESSAVG: 2709200 -42.1464 -48.2741 15.601 -45.2894 53.9329 -14.903 14.6449 -11.4983 -11.8216 TIMING: 2709200 CPU: 8460.35, 0.00314629/step Wall: 8460.35, 0.00314629/step, 2.00209 hours remaining, 235.738281 MB of memory in use. ENERGY: 2709200 3975.1790 20616.1328 14509.2464 252.7235 -203267.2853 2794.6174 0.0000 0.0000 51996.2802 -109123.1060 298.8233 -161119.3862 -108760.1052 299.8094 16.8255 45.9877 763245.5485 -0.1521 -0.0117 PRESSURE: 2709400 24.8416 -34.0146 -51.1163 -34.0153 -403.608 -44.7908 -51.1166 -44.7913 -309.496 GPRESSURE: 2709400 77.0009 -0.558033 -7.61626 -9.36066 -394.256 -59.256 34.2506 65.9299 -281.34 PRESSAVG: 2709400 -8.53585 -26.0186 7.34943 -26.0187 -18.3918 12.4509 7.34941 12.4509 -13.9229 GPRESSAVG: 2709400 -6.88498 -23.3677 6.49451 -27.4522 -18.3552 15.3464 7.69804 13.3704 -15.2054 TIMING: 2709400 CPU: 8460.98, 0.00313633/step Wall: 8460.98, 0.00313633/step, 1.99558 hours remaining, 235.738281 MB of memory in use. ENERGY: 2709400 4019.4193 20595.9986 14443.7115 255.3329 -203329.7639 2875.1318 0.0000 0.0000 52180.9562 -108959.2135 299.8847 -161140.1697 -108614.2329 299.2943 -229.4209 -199.5315 763007.6195 -13.6169 -13.4819 PRESSURE: 2709600 -282.11 -18.4439 23.7961 -18.4444 -116.538 -111.759 23.7966 -111.759 -139.797 GPRESSURE: 2709600 -284.92 120.566 54.9067 -184.865 -66.5683 -91.5847 51.8022 -44.832 -110.726 PRESSAVG: 2709600 -68.1243 -45.84 0.830533 -45.84 60.7995 8.36491 0.830557 8.36491 1.16377 GPRESSAVG: 2709600 -69.5603 -46.8719 0.873227 -44.6533 61.3642 6.36877 -0.114434 8.63254 1.72923 TIMING: 2709600 CPU: 8461.61, 0.00315048/step Wall: 8461.61, 0.00315048/step, 2.0044 hours remaining, 235.738281 MB of memory in use. ENERGY: 2709600 4013.6643 20661.5765 14431.6567 223.2065 -202826.6988 2547.2606 0.0000 0.0000 51969.3721 -108979.9621 298.6687 -160949.3341 -108615.5655 299.7982 -179.4815 -154.0715 764858.5677 -2.0537 -2.1556 PRESSURE: 2709800 63.7842 41.2719 91.7731 41.2719 -19.79 213.609 91.7741 213.61 77.9203 GPRESSURE: 2709800 82.9553 19.0753 13.5298 -86.1018 -23.188 145.839 123.335 95.6731 131.278 PRESSAVG: 2709800 28.8211 -81.131 14.7362 -81.1311 14.7969 13.4553 14.7362 13.4554 -7.01346 GPRESSAVG: 2709800 28.6914 -81.3835 13.656 -81.2067 14.5946 14.4689 15.6096 11.791 -7.17994 TIMING: 2709800 CPU: 8462.24, 0.0031737/step Wall: 8462.24, 0.0031737/step, 2.019 hours remaining, 235.738281 MB of memory in use. ENERGY: 2709800 3924.1998 20650.1491 14553.3746 253.4737 -203184.2784 2811.3125 0.0000 0.0000 52083.7036 -108908.0651 299.3258 -160991.7687 -108549.4376 299.5045 40.6382 63.6818 762041.5756 12.2015 12.0353 PRESSURE: 2710000 -47.8996 1.23876 -202.766 1.23795 3.49412 -419.812 -202.766 -419.813 -133.197 GPRESSURE: 2710000 -76.2981 -42.3193 -235.243 73.5659 1.00688 -487.78 -120.529 -286.605 -41.0891 PRESSAVG: 2710000 -34.9048 -29.0468 -14.0626 -29.0468 50.6917 44.6759 -14.0627 44.6759 6.50343 GPRESSAVG: 2710000 -34.9714 -31.3605 -12.2632 -28.1908 49.9516 43.7281 -13.8004 44.7863 7.49182 TIMING: 2710000 CPU: 8462.87, 0.00315166/step Wall: 8462.87, 0.00315166/step, 2.00481 hours remaining, 235.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2710000 3988.9780 20744.8848 14569.8002 235.8136 -203630.2964 3084.8555 0.0000 0.0000 52206.9751 -108798.9894 300.0342 -161005.9645 -108437.5011 300.2193 -59.2007 -38.7935 761677.2419 7.4301 7.4907 PRESSURE: 2710200 -89.1681 47.4311 44.3849 47.431 -418.844 -10.9187 44.3847 -10.9193 54.3637 GPRESSURE: 2710200 -90.2906 -108.451 36.1648 29.5961 -414.517 -9.248 -32.0991 -62.3932 133.903 PRESSAVG: 2710200 -35.7516 -34.2241 4.32625 -34.2241 -3.14583 -2.7418 4.3262 -2.74182 12.072 GPRESSAVG: 2710200 -34.9197 -31.4377 4.23589 -33.9604 -2.63255 -2.71864 3.50074 -1.95311 11.0381 TIMING: 2710200 CPU: 8463.49, 0.00311894/step Wall: 8463.49, 0.00311894/step, 1.98382 hours remaining, 235.738281 MB of memory in use. ENERGY: 2710200 4021.0821 20636.4289 14482.3534 260.0344 -202651.2204 2383.4269 0.0000 0.0000 52314.8415 -108553.0530 300.6541 -160867.8946 -108187.7212 300.8757 -151.2162 -123.6351 763789.8417 -8.9418 -8.8380 PRESSURE: 2710400 -146.392 246.771 -87.9752 246.771 77.1367 -132.082 -87.9751 -132.081 -282.074 GPRESSURE: 2710400 -122.95 111.394 -2.03145 132.534 40.905 -58.6376 -36.1188 -115.846 -176.171 PRESSAVG: 2710400 -10.9134 -17.956 -15.4765 -17.9559 -3.238 15.5341 -15.4765 15.5341 3.77764 GPRESSAVG: 2710400 -10.6594 -15.87 -16.3908 -19.2195 -3.73421 17.7643 -16.8927 14.5267 4.32837 TIMING: 2710400 CPU: 8464.12, 0.00311696/step Wall: 8464.12, 0.00311696/step, 1.98238 hours remaining, 235.738281 MB of memory in use. ENERGY: 2710400 3978.4235 20686.5821 14521.3820 232.9709 -203201.6205 2941.9738 0.0000 0.0000 52162.8048 -108677.4834 299.7804 -160840.2882 -108326.6942 300.4640 -117.1097 -86.0718 762671.7548 -3.4579 -3.3551 PRESSURE: 2710600 -406.812 43.3885 -18.605 43.3886 133.976 31.2811 -18.6049 31.281 271.752 GPRESSURE: 2710600 -255.638 13.6116 -27.0308 -72.1621 32.4303 -34.9793 -41.2226 -30.4414 312.931 PRESSAVG: 2710600 -25.6771 -43.41 25.6253 -43.41 51.3882 2.92059 25.6253 2.92058 28.9237 GPRESSAVG: 2710600 -26.3404 -46.3651 24.8307 -44.8101 50.8464 0.929656 27.7673 1.44848 30.4449 TIMING: 2710600 CPU: 8464.75, 0.00313906/step Wall: 8464.75, 0.00313905/step, 1.99626 hours remaining, 235.738281 MB of memory in use. ENERGY: 2710600 4059.3077 20693.8398 14517.3700 250.6471 -202690.8444 2520.4362 0.0000 0.0000 52040.9301 -108608.3134 299.0799 -160649.2435 -108252.3119 300.0149 -0.3613 29.9079 763315.1084 18.2116 18.3170 PRESSURE: 2710800 -121.903 -42.8534 39.4195 -42.8533 -37.8662 102.236 39.4195 102.236 591.663 GPRESSURE: 2710800 -34.2465 -28.5232 -51.8703 -40.2517 36.3442 111.054 111.435 210.572 521.3 PRESSAVG: 2710800 -5.46415 -5.79417 12.4541 -5.79424 47.7698 -28.2455 12.454 -28.2454 0.914747 GPRESSAVG: 2710800 -4.9997 -3.96289 12.585 -4.01388 47.692 -27.5371 11.5046 -25.9938 0.214637 TIMING: 2710800 CPU: 8465.38, 0.00314544/step Wall: 8465.38, 0.00314544/step, 2.00015 hours remaining, 235.738281 MB of memory in use. ENERGY: 2710800 3985.2992 20660.9584 14539.7148 257.5295 -203135.6294 2836.4513 0.0000 0.0000 52146.8670 -108708.8092 299.6888 -160855.6762 -108362.8257 300.3856 143.9646 174.4659 762462.4425 14.4068 14.3023 PRESSURE: 2711000 -28.334 -33.9711 120.396 -33.9711 -245.148 -6.61107 120.396 -6.61184 -173.764 GPRESSURE: 2711000 -14.8056 -63.3692 126.317 -61.3206 -219.651 -107.318 43.4791 -23.4413 -102.986 PRESSAVG: 2711000 39.8724 -27.1474 27.6677 -27.1474 -11.4635 13.0261 27.6677 13.026 10.1513 GPRESSAVG: 2711000 39.1784 -26.9189 26.8464 -27.434 -10.7108 11.3729 28.7634 13.9357 9.74817 TIMING: 2711000 CPU: 8466.01, 0.00315229/step Wall: 8466.01, 0.00315229/step, 2.00433 hours remaining, 235.738281 MB of memory in use. ENERGY: 2711000 3971.1366 20479.0950 14524.7371 260.9643 -202899.9025 2639.7200 0.0000 0.0000 52117.6682 -108906.5813 299.5210 -161024.2495 -108550.3609 300.2767 -149.0817 -112.4810 762075.5325 12.8534 12.7386 PRESSURE: 2711200 52.1557 -159.047 -313.386 -159.047 32.6366 72.0142 -313.386 72.015 85.1283 GPRESSURE: 2711200 76.6374 -104.459 -313.943 -77.4417 122.69 46.4774 -355.366 5.86786 63.5438 PRESSAVG: 2711200 -0.988992 -14.6718 -18.0026 -14.6718 44.8446 -38.0936 -18.0026 -38.0936 -5.92991 GPRESSAVG: 2711200 -0.448099 -16.1977 -17.1265 -14.2592 45.2116 -36.9919 -18.8933 -41.3877 -6.92462 TIMING: 2711200 CPU: 8466.64, 0.00316116/step Wall: 8466.64, 0.00316116/step, 2.0098 hours remaining, 235.738281 MB of memory in use. ENERGY: 2711200 3998.5566 20483.0876 14536.3979 255.2913 -203073.8112 2733.0158 0.0000 0.0000 52014.8590 -109052.6030 298.9301 -161067.4620 -108694.0899 299.5550 56.6402 87.6237 762283.3711 12.6419 12.6129 PRESSURE: 2711400 -295.286 68.1869 -108.96 68.1871 137.896 94.8903 -108.96 94.8903 -53.5773 GPRESSURE: 2711400 -261.291 135.799 -139.791 82.5718 184.772 142.336 -266.363 64.1 -32.9039 PRESSAVG: 2711400 5.31792 -8.18509 -15.618 -8.1851 -9.61005 -11.006 -15.618 -11.006 -25.8295 GPRESSAVG: 2711400 4.88837 -8.89861 -14.7978 -6.44036 -10.5715 -12.2128 -14.2749 -6.45417 -24.4904 TIMING: 2711400 CPU: 8467.28, 0.00318917/step Wall: 8467.28, 0.00318917/step, 2.02743 hours remaining, 235.738281 MB of memory in use. ENERGY: 2711400 3935.9978 20283.4865 14528.2809 257.1167 -203060.8337 2641.7578 0.0000 0.0000 51966.0745 -109448.1196 298.6497 -161414.1941 -109085.8024 298.8769 -70.3226 -36.4743 763473.4563 -10.0406 -10.0579 PRESSURE: 2711600 68.1106 11.7391 66.5645 11.7404 -467.571 -103.849 66.5642 -103.849 529.341 GPRESSURE: 2711600 60.812 -10.7363 55.2881 -38.3328 -407.45 -92.79 95.0511 28.2761 549.185 PRESSAVG: 2711600 -22.9203 -34.0422 3.45899 -34.0422 -24.0511 -26.5903 3.45892 -26.5904 -12.2313 GPRESSAVG: 2711600 -23.7633 -33.0326 2.6546 -34.5674 -23.4467 -25.1369 1.61215 -26.4653 -12.0926 TIMING: 2711600 CPU: 8467.91, 0.00317827/step Wall: 8467.91, 0.00317827/step, 2.02032 hours remaining, 235.738281 MB of memory in use. ENERGY: 2711600 3932.7391 20421.8337 14586.4731 245.5029 -203226.0534 2838.0911 0.0000 0.0000 51957.9974 -109243.4161 298.6033 -161201.4135 -108890.3512 298.1870 43.2935 67.5157 764471.6757 -19.7342 -19.7676 PRESSURE: 2711800 -86.7655 29.8818 -52.1078 29.8812 -114.409 -18.9888 -52.1074 -18.9881 354.224 GPRESSURE: 2711800 -72.4625 -127.865 10.8438 51.6637 -30.0317 -39.117 -54.945 54.1543 322.13 PRESSAVG: 2711800 54.2639 9.66868 -6.86713 9.66866 -61.5885 4.44288 -6.86713 4.44284 -3.42507 GPRESSAVG: 2711800 54.7637 8.19845 -6.40414 7.05071 -61.0087 4.28795 -5.68656 2.83457 -4.73944 TIMING: 2711800 CPU: 8468.54, 0.00315976/step Wall: 8468.54, 0.00315976/step, 2.00838 hours remaining, 235.738281 MB of memory in use. ENERGY: 2711800 3966.9750 20553.2778 14550.1934 260.4386 -202653.2874 2413.7904 0.0000 0.0000 51989.5338 -108919.0785 298.7846 -160908.6123 -108575.3592 298.9200 51.0163 73.2118 763847.6054 -3.5832 -3.6615 PRESSURE: 2712000 -115.778 -170.817 166.148 -170.818 265.446 43.7698 166.148 43.7705 -14.1353 GPRESSURE: 2712000 -161.245 -188.33 198.272 -122.18 380.611 67.8234 70.4671 16.4872 -0.515963 PRESSAVG: 2712000 11.0017 -41.8594 39.0598 -41.8594 -36.8841 -47.329 39.0598 -47.329 23.9678 GPRESSAVG: 2712000 11.0428 -40.8377 40.1343 -39.8532 -36.2832 -46.4946 37.656 -48.8857 23.8269 TIMING: 2712000 CPU: 8469.18, 0.00318696/step Wall: 8469.18, 0.00318696/step, 2.02549 hours remaining, 235.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2712000 4068.6159 20407.0296 14502.9678 260.7876 -202921.5310 2654.6375 0.0000 0.0000 52081.3752 -108946.1173 299.3124 -161027.4925 -108573.2274 299.8706 45.1774 72.9502 763986.7331 -0.6382 -0.4711 PRESSURE: 2712200 -204.982 -91.3274 117.854 -91.3281 32.3546 101.043 117.855 101.043 3.52084 GPRESSURE: 2712200 -125.691 -43.449 108.898 -74.0832 15.8634 -49.1532 132.346 132.878 4.6706 PRESSAVG: 2712200 -9.94183 -29.5374 -9.07275 -29.5374 -26.5138 -30.5243 -9.07277 -30.5243 0.291662 GPRESSAVG: 2712200 -9.05913 -29.6634 -10.0598 -30.1383 -28.556 -30.8535 -8.77102 -29.0972 1.29623 TIMING: 2712200 CPU: 8469.81, 0.0031675/step Wall: 8469.81, 0.0031675/step, 2.01294 hours remaining, 235.738281 MB of memory in use. ENERGY: 2712200 3964.5276 20382.4925 14554.4984 234.6205 -203221.0954 2738.5155 0.0000 0.0000 52233.4440 -109112.9969 300.1863 -161346.4409 -108748.2839 299.1780 -56.3690 -35.0523 764733.3059 -12.0547 -12.1063 LDB: ============= START OF LOAD BALANCING ============== 8482.29 LDB: ============== END OF LOAD BALANCING =============== 8482.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8482.3 LDB: ============= START OF LOAD BALANCING ============== 8482.61 LDB: Largest compute 7041 load 0.029703 is 15.2% of average load 0.195187 LDB: Average compute 0.004382 is 2.2% of average load 0.195187 LDB: TIME 8482.61 LOAD: AVG 0.195187 MAX 0.213646 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 8482.62 LOAD: AVG 0.195187 MAX 0.213646 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: TIME 8482.62 LOAD: AVG 0.195187 MAX 0.213646 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: ============== END OF LOAD BALANCING =============== 8482.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8482.62 PRESSURE: 2712400 71.2138 -38.8456 -258.398 -38.846 135.708 -202.887 -258.398 -202.887 -112.906 GPRESSURE: 2712400 179.907 -21.6824 -273.945 20.7213 130.011 -160.92 -203.808 -141.12 -139.577 PRESSAVG: 2712400 -9.31302 -40.5104 -15.7257 -40.5103 12.4847 1.99525 -15.7256 1.99521 -22.0429 GPRESSAVG: 2712400 -9.56531 -38.4575 -14.3762 -41.7916 13.2571 2.61406 -15.0873 1.4934 -22.6479 TIMING: 2712400 CPU: 8470.46, 0.00321516/step Wall: 8470.46, 0.00321516/step, 2.04305 hours remaining, 236.304688 MB of memory in use. ENERGY: 2712400 3930.8105 20435.7605 14536.0311 239.8476 -203095.9492 2828.8703 0.0000 0.0000 51936.8335 -109187.7956 298.4817 -161124.6291 -108836.1810 298.9727 31.3387 56.7806 763504.3520 -6.2904 -6.3187 PRESSURE: 2712600 -146.611 -116.251 -15.876 -116.25 -285.017 -40.8046 -15.8755 -40.8046 -295.508 GPRESSURE: 2712600 -89.5933 -32.305 20.7104 -203.959 -212.149 38.5231 67.1263 23.2454 -326.787 PRESSAVG: 2712600 26.1044 -16.8455 -0.593044 -16.8455 13.5235 -42.0753 -0.593021 -42.0753 0.69946 GPRESSAVG: 2712600 26.8726 -19.6997 -2.09962 -15.2429 12.8137 -43.6067 -0.150641 -40.8133 0.568665 TIMING: 2712600 CPU: 8471.09, 0.00314482/step Wall: 8471.09, 0.00314482/step, 1.99818 hours remaining, 236.371094 MB of memory in use. ENERGY: 2712600 4027.8183 20505.5158 14479.1036 244.7124 -203317.5463 2697.1598 0.0000 0.0000 52028.7091 -109334.5273 299.0097 -161363.2364 -108956.4794 298.5860 -242.3788 -209.5097 763470.3083 13.4424 13.4183 PRESSURE: 2712800 97.1802 -15.9797 92.6442 -15.9802 -149.764 -1.57889 92.6442 -1.57885 111.372 GPRESSURE: 2712800 81.8991 -108.498 166.686 -42.9619 -31.6425 -12.7096 -15.526 -68.6473 94.2206 PRESSAVG: 2712800 19.912 -3.11102 -20.6446 -3.1111 -47.6025 5.74248 -20.6445 5.74246 15.6237 GPRESSAVG: 2712800 18.966 -2.58404 -20.9065 -4.8042 -47.4018 6.80624 -19.3913 5.05314 16.588 TIMING: 2712800 CPU: 8471.72, 0.00316466/step Wall: 8471.72, 0.00316466/step, 2.01062 hours remaining, 236.371094 MB of memory in use. ENERGY: 2712800 4041.9237 20452.0818 14473.4770 253.9620 -203193.3552 2636.3108 0.0000 0.0000 51998.7266 -109336.8734 298.8374 -161335.5999 -108974.6296 299.0064 19.5959 48.1591 762782.8954 -4.0223 -3.9493 PRESSURE: 2713000 -358.453 36.9373 80.4939 36.9375 -215.058 -85.4287 80.4943 -85.4285 219.594 GPRESSURE: 2713000 -269.86 1.57349 64.3018 44.5617 -224.755 -62.0064 117.396 -201.594 234.374 PRESSAVG: 2713000 9.40673 -41.8698 30.5986 -41.8698 -9.01783 -16.4587 30.5986 -16.4586 -11.5749 GPRESSAVG: 2713000 9.4092 -43.8435 31.7746 -40.5745 -9.73018 -15.6857 28.1169 -18.6458 -11.4618 TIMING: 2713000 CPU: 8472.35, 0.00317476/step Wall: 8472.35, 0.00317476/step, 2.01686 hours remaining, 236.371094 MB of memory in use. ENERGY: 2713000 4036.7701 20283.3461 14577.6862 239.0769 -202902.9718 2684.5469 0.0000 0.0000 51705.7943 -109375.7515 297.1539 -161081.5457 -109014.2534 298.4280 -117.9724 -86.7473 764570.6963 -3.7287 -3.9276 PRESSURE: 2713200 135.457 -19.251 133.221 -19.2507 242.631 -99.8587 133.222 -99.858 133.642 GPRESSURE: 2713200 75.1118 -74.0832 78.518 19.7117 260.615 -94.3238 130.032 -142.74 252.827 PRESSAVG: 2713200 4.08335 -83.0849 20.2452 -83.0849 -14.8799 7.8106 20.2452 7.81064 9.40348 GPRESSAVG: 2713200 4.28222 -82.0618 19.8271 -82.3992 -14.6897 5.85759 22.1138 9.78107 9.17636 TIMING: 2713200 CPU: 8472.99, 0.003161/step Wall: 8472.99, 0.003161/step, 2.00794 hours remaining, 236.371094 MB of memory in use. ENERGY: 2713200 3960.0808 20542.4964 14542.8836 247.9192 -203369.1552 2980.1265 0.0000 0.0000 51822.6338 -109273.0150 297.8254 -161095.6487 -108914.9892 298.7359 170.5769 196.1848 762274.9359 -0.4644 -0.4104 PRESSURE: 2713400 -152.879 93.7343 -200.819 93.7341 -496.967 13.0164 -200.819 13.0161 -23.8814 GPRESSURE: 2713400 -92.8082 -73.8104 -165.555 120.547 -463.735 -3.03873 -130.37 24.0221 -42.3191 PRESSAVG: 2713400 -26.3081 -74.6604 -19.0422 -74.6603 -5.00743 -29.9685 -19.0422 -29.9686 -0.435967 GPRESSAVG: 2713400 -25.5991 -74.7266 -20.5328 -75.4048 -5.32475 -30.5372 -18.0578 -30.1459 -0.882059 TIMING: 2713400 CPU: 8473.61, 0.00312385/step Wall: 8473.61, 0.00312385/step, 1.98417 hours remaining, 236.371094 MB of memory in use. ENERGY: 2713400 3959.0208 20569.2800 14524.4285 242.1509 -202859.8917 2425.2272 0.0000 0.0000 51956.7391 -109183.0451 298.5961 -161139.7842 -108811.3223 299.1088 -224.5758 -199.6208 761442.6141 -10.5838 -10.6020 PRESSURE: 2713600 326.338 201.335 -76.5343 201.335 283.271 -192.257 -76.5335 -192.259 55.3893 GPRESSURE: 2713600 372.113 54.7268 -39.6745 105.164 357.3 -31.4113 -40.7944 -252.668 17.2956 PRESSAVG: 2713600 33.3148 5.43381 -5.36123 5.43387 -13.7352 -5.78289 -5.36121 -5.78291 -13.6833 GPRESSAVG: 2713600 32.8931 8.75657 -4.55289 5.42122 -13.3237 -5.4171 -7.7678 -5.06843 -14.3137 TIMING: 2713600 CPU: 8474.24, 0.00312991/step Wall: 8474.24, 0.00312991/step, 1.98784 hours remaining, 236.371094 MB of memory in use. ENERGY: 2713600 3980.5463 20577.1712 14487.3486 236.5284 -203502.8271 2755.5488 0.0000 0.0000 51956.0056 -109509.6781 298.5919 -161465.6837 -109156.2480 298.9118 221.6661 248.9029 759892.7347 1.9654 1.7519 PRESSURE: 2713800 125.083 162.259 -0.475022 162.258 -219.677 88.649 -0.47469 88.6497 -498.712 GPRESSURE: 2713800 131.329 173 102.988 134.537 -238.544 52.5152 32.4458 170.111 -408.388 PRESSAVG: 2713800 -25.1646 -20.7683 24.7613 -20.7684 20.387 -52.0152 24.7613 -52.0153 8.10613 GPRESSAVG: 2713800 -26.5844 -24.1646 26.0187 -19.5687 21.5372 -52.1121 24.7004 -54.9833 8.20645 TIMING: 2713800 CPU: 8474.86, 0.00311913/step Wall: 8474.86, 0.00311913/step, 1.98082 hours remaining, 236.371094 MB of memory in use. ENERGY: 2713800 3986.3352 20588.4799 14501.5292 243.3813 -203362.6823 2674.7612 0.0000 0.0000 51762.4222 -109605.7733 297.4794 -161368.1955 -109254.4533 298.8772 -197.7687 -171.8677 761826.5259 1.1095 1.0531 PRESSURE: 2714000 145.858 -120.706 142.629 -120.707 445.271 181.067 142.629 181.067 54.2265 GPRESSURE: 2714000 180.078 -86.5678 237.959 -109.609 470.97 245.287 71.9134 27.3349 84.3813 PRESSAVG: 2714000 -10.9238 -64.945 2.15474 -64.9451 33.7154 -6.7172 2.15475 -6.71716 -25.3533 GPRESSAVG: 2714000 -10.7126 -66.1528 1.05724 -64.428 32.2559 -5.11252 3.02811 -5.3246 -24.0484 TIMING: 2714000 CPU: 8475.48, 0.00311623/step Wall: 8475.48, 0.00311623/step, 1.97881 hours remaining, 236.371094 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: 2714000 3949.4072 20464.0685 14512.4374 255.7561 -203649.5815 3017.3560 0.0000 0.0000 51862.7330 -109587.8231 298.0558 -161450.5562 -109229.4501 297.8694 215.1187 245.1431 761316.7799 -0.8539 -0.8350 PRESSURE: 2714200 -35.5025 -54.7074 -143.966 -54.7074 -109.52 -60.1296 -143.967 -60.1281 -154.374 GPRESSURE: 2714200 -13.2172 -129.508 -188.321 -116.378 -35.4875 35.1786 -20.8705 28.461 -179.618 PRESSAVG: 2714200 -28.2788 -8.73567 -20.5845 -8.73564 20.0537 -1.42434 -20.5845 -1.42438 -8.5435 GPRESSAVG: 2714200 -28.029 -5.47419 -19.817 -9.14523 20.8539 -2.85331 -21.3651 0.296493 -9.53962 TIMING: 2714200 CPU: 8476.11, 0.00311983/step Wall: 8476.11, 0.00311983/step, 1.98092 hours remaining, 236.371094 MB of memory in use. ENERGY: 2714200 4030.4283 20585.1707 14488.2431 263.8537 -203403.9483 2746.1478 0.0000 0.0000 51704.7596 -109585.3451 297.1480 -161290.1047 -109225.0854 298.4343 -99.7987 -76.1077 761884.9622 -5.5895 -5.5716 PRESSURE: 2714400 310.225 -44.9405 -86.4379 -44.9405 -104.471 160.246 -86.438 160.246 -106.131 GPRESSURE: 2714400 367.479 -97.1732 -140.234 -127.713 -45.504 144.893 -123.635 67.4157 -139.15 PRESSAVG: 2714400 -11.181 -32.4061 -18.6089 -32.4061 16.9841 12.2483 -18.6089 12.2484 -0.620519 GPRESSAVG: 2714400 -11.83 -33.2857 -18.5891 -33.9947 17.1345 12.9487 -17.945 10.2743 -0.439484 TIMING: 2714400 CPU: 8476.73, 0.00312361/step Wall: 8476.73, 0.00312361/step, 1.98314 hours remaining, 236.371094 MB of memory in use. ENERGY: 2714400 4034.5636 20627.8138 14484.7578 232.8680 -203993.3676 3001.4337 0.0000 0.0000 52074.6859 -109537.2448 299.2739 -161611.9307 -109177.4596 298.6419 33.2077 60.9416 762148.2233 1.7275 1.6217 PRESSURE: 2714600 -306.403 -69.1427 88.4051 -69.1425 -439.56 190.815 88.4049 190.814 -194.029 GPRESSURE: 2714600 -295.697 -233.587 -10.1863 -39.3548 -319.874 165.898 -1.15818 90.7219 -225.595 PRESSAVG: 2714600 -32.5935 11.3926 -63.6273 11.3927 -34.0658 -24.5857 -63.6273 -24.5857 -11.1693 GPRESSAVG: 2714600 -30.7451 9.49808 -65.1198 11.5505 -34.1226 -24.2866 -62.0041 -24.4015 -12.7332 TIMING: 2714600 CPU: 8477.36, 0.00313005/step Wall: 8477.36, 0.00313005/step, 1.98706 hours remaining, 236.371094 MB of memory in use. ENERGY: 2714600 3955.2272 20549.9696 14582.5927 223.5926 -203240.8566 2582.1225 0.0000 0.0000 51731.1428 -109616.2092 297.2996 -161347.3520 -109258.0204 298.4983 -313.3308 -280.3890 761746.6272 -25.9429 -25.8670 PRESSURE: 2714800 -140.856 39.5638 -125.624 39.5629 -220.57 252.506 -125.623 252.504 -191.875 GPRESSURE: 2714800 -143.86 20.1789 -95.5839 0.573145 -224.801 212.51 -132.871 263.022 -104.873 PRESSAVG: 2714800 16.1172 -4.0245 -12.6244 -4.02453 -20.219 52.7587 -12.6244 52.7587 -13.4538 GPRESSAVG: 2714800 15.3237 -0.341927 -12.0234 -3.99605 -20.4141 53.4573 -16.0895 52.8973 -12.5299 TIMING: 2714800 CPU: 8477.99, 0.00313396/step Wall: 8477.99, 0.00313396/step, 1.98937 hours remaining, 236.371094 MB of memory in use. ENERGY: 2714800 3958.3100 20724.7825 14544.0562 238.7874 -203346.8954 2559.1780 0.0000 0.0000 51706.0095 -109615.7718 297.1551 -161321.7813 -109260.2073 298.6937 -184.4335 -157.8448 762303.5800 -5.8519 -5.8734 PRESSURE: 2715000 -61.6637 217.72 -289.409 217.719 -176.296 89.209 -289.408 89.2086 -123.78 GPRESSURE: 2715000 -37.9712 127.544 -345.677 179.294 -50.9922 65.5411 -204.158 105.304 -200.211 PRESSAVG: 2715000 15.512 -27.4243 -73.8868 -27.4243 -40.1136 29.2115 -73.8868 29.2116 -11.1844 GPRESSAVG: 2715000 13.9217 -30.4863 -74.1547 -27.1416 -39.2165 28.7376 -71.1655 28.9254 -10.8543 TIMING: 2715000 CPU: 8478.61, 0.00312315/step Wall: 8478.61, 0.00312315/step, 1.98233 hours remaining, 236.371094 MB of memory in use. ENERGY: 2715000 4093.3194 20425.3742 14488.3884 255.7348 -203697.2492 2883.3647 0.0000 0.0000 51810.0214 -109741.0465 297.7529 -161551.0678 -109380.4591 298.2361 -120.5800 -96.3915 762698.2294 -11.9287 -12.0497 PRESSURE: 2715200 -434.563 -209.15 55.5914 -209.15 -380.531 53.0292 55.5912 53.0287 -429.072 GPRESSURE: 2715200 -412.315 -102.876 105.797 -135.779 -436.046 139.491 69.8088 0.265307 -305.512 PRESSAVG: 2715200 -45.2795 5.91512 -24.309 5.91509 57.1101 26.1512 -24.309 26.1512 16.4313 GPRESSAVG: 2715200 -44.6491 8.73516 -24.1333 4.84566 55.2127 26.211 -24.7783 25.6168 18.2134 TIMING: 2715200 CPU: 8479.24, 0.00313024/step Wall: 8479.24, 0.00313024/step, 1.98666 hours remaining, 236.371094 MB of memory in use. ENERGY: 2715200 3979.3573 20401.6212 14495.3235 274.6705 -203062.9969 2426.3149 0.0000 0.0000 52033.8153 -109451.8941 299.0391 -161485.7094 -109083.2455 298.0591 -414.7221 -384.6244 763017.2695 9.4206 9.5924 PRESSURE: 2715400 -681.846 -2.01329 37.1227 -2.01421 56.3806 246.872 37.1223 246.872 -119.913 GPRESSURE: 2715400 -476.725 -71.1519 104.914 15.5903 -44.3297 264.932 42.8792 253.119 -156.243 PRESSAVG: 2715400 -50.8238 -15.1856 -28.0368 -15.1857 19.3539 -0.858159 -28.0368 -0.858153 -1.33833 GPRESSAVG: 2715400 -50.5407 -17.3149 -27.2067 -13.6571 20.2022 -2.59928 -28.0525 0.303269 -2.79325 TIMING: 2715400 CPU: 8479.86, 0.00314069/step Wall: 8479.86, 0.00314069/step, 1.99311 hours remaining, 236.371094 MB of memory in use. ENERGY: 2715400 4073.8834 20395.7209 14548.1738 250.9466 -203260.4330 2487.5975 0.0000 0.0000 52293.0344 -109211.0765 300.5288 -161504.1109 -108852.1609 299.4373 -248.4592 -225.7659 761978.1361 -10.9361 -11.0439 PRESSURE: 2715600 277.264 77.3667 -44.2426 77.3673 -7.08824 156.698 -44.2426 156.697 94.9875 GPRESSURE: 2715600 294.122 -4.21535 -68.1189 75.039 146.68 117.449 -34.3656 -58.9686 7.86384 PRESSAVG: 2715600 -7.52456 -36.0802 10.9308 -36.0802 36.8887 25.0031 10.9308 25.0031 10.1396 GPRESSAVG: 2715600 -6.92726 -34.5462 11.0366 -37.6909 37.2158 25.7098 8.69506 22.6133 10.0626 TIMING: 2715600 CPU: 8480.49, 0.00313865/step Wall: 8480.49, 0.00313865/step, 1.99165 hours remaining, 236.371094 MB of memory in use. ENERGY: 2715600 4056.4376 20577.2595 14461.5137 264.5377 -203551.1492 2865.8820 0.0000 0.0000 52194.6593 -109130.8593 299.9634 -161325.5187 -108766.1393 299.5336 121.7210 149.5551 759809.3423 13.1679 13.4504 PRESSURE: 2715800 -67.1816 -17.6388 -243.405 -17.6386 -215.399 -54.8221 -243.405 -54.8219 -323.135 GPRESSURE: 2715800 -110.6 58.7024 -236.466 -74.5945 -170.367 -23.8856 -148.212 26.5197 -258.983 PRESSAVG: 2715800 15.2209 -31.2207 -8.01103 -31.2206 -41.4077 48.8889 -8.01104 48.8889 -8.75458 GPRESSAVG: 2715800 14.9758 -34.1721 -7.30637 -29.6575 -42.5964 49.0403 -5.35509 50.9616 -7.92101 TIMING: 2715800 CPU: 8481.11, 0.00311417/step Wall: 8481.11, 0.00311417/step, 1.97594 hours remaining, 236.371094 MB of memory in use. ENERGY: 2715800 4043.3090 20661.9811 14551.9752 256.6789 -203453.3840 2540.6963 0.0000 0.0000 52354.7995 -109043.9440 300.8838 -161398.7435 -108686.7643 299.6874 -201.9050 -179.9834 761198.0052 -11.6471 -11.8472 PRESSURE: 2716000 -132.821 -231.91 67.2275 -231.91 38.6959 -104.284 67.2269 -104.284 243.982 GPRESSURE: 2716000 32.0679 -116.151 108.437 -209.408 35.5785 -29.89 0.364691 -94.6098 184.605 PRESSAVG: 2716000 4.38004 -57.4988 -15.3461 -57.4988 -25.9984 18.8503 -15.346 18.8503 4.24765 GPRESSAVG: 2716000 5.07706 -56.2296 -16.4469 -56.9438 -24.9189 19.111 -17.03 17.6263 2.67277 TIMING: 2716000 CPU: 8481.74, 0.0031179/step Wall: 8481.74, 0.0031179/step, 1.97813 hours remaining, 236.371094 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: 2716000 4086.3368 20490.0411 14516.7324 238.6075 -203484.8949 2806.7401 0.0000 0.0000 52298.2088 -109048.2281 300.5585 -161346.4369 -108683.5900 299.8251 49.9525 84.0838 761132.0589 -5.7902 -5.7230 PRESSURE: 2716200 80.2449 86.6827 64.3621 86.6838 347.791 -287.609 64.3627 -287.608 -18.7309 GPRESSURE: 2716200 111.422 145.136 124.363 90.173 376.611 -253.225 132.954 -263.54 39.6892 PRESSAVG: 2716200 1.07778 -14.7857 -23.4428 -14.7856 20.7928 -22.3666 -23.4428 -22.3666 -9.58703 GPRESSAVG: 2716200 0.604033 -15.0196 -20.7397 -18.0654 20.671 -21.5012 -24.2979 -21.5458 -9.10649 TIMING: 2716200 CPU: 8482.36, 0.00311215/step Wall: 8482.36, 0.00311215/step, 1.97431 hours remaining, 236.371094 MB of memory in use. ENERGY: 2716200 4000.3140 20522.4020 14550.9215 240.7089 -203450.5391 2801.9907 0.0000 0.0000 52291.3531 -109042.8489 300.5191 -161334.2020 -108671.3663 300.2676 136.4351 175.9071 761675.3817 4.0945 4.0562 LDB: ============= START OF LOAD BALANCING ============== 8494.84 LDB: ============== END OF LOAD BALANCING =============== 8494.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8494.84 LDB: ============= START OF LOAD BALANCING ============== 8495.16 LDB: Largest compute 7030 load 0.031126 is 15.9% of average load 0.195222 LDB: Average compute 0.004375 is 2.2% of average load 0.195222 LDB: TIME 8495.16 LOAD: AVG 0.195222 MAX 0.216695 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.336 MB LDB: TIME 8495.16 LOAD: AVG 0.195222 MAX 0.216695 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.543 MB LDB: TIME 8495.16 LOAD: AVG 0.195222 MAX 0.216695 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.543 MB LDB: ============== END OF LOAD BALANCING =============== 8495.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8495.17 PRESSURE: 2716400 -85.4893 50.364 -75.7286 50.3639 -151.711 86.8978 -75.7282 86.8983 -506.634 GPRESSURE: 2716400 -81.6048 207.598 -163.243 67.5637 -61.2109 130.262 -37.7342 25.3394 -519.971 PRESSAVG: 2716400 -0.294891 -34.4547 -1.4686 -34.4548 23.4328 2.29372 -1.46867 2.29382 -1.99208 GPRESSAVG: 2716400 -1.29942 -31.4009 -3.1 -33.0272 23.3379 0.618853 -0.466608 3.79554 -0.784668 TIMING: 2716400 CPU: 8483, 0.00320878/step Wall: 8483, 0.00320878/step, 2.03544 hours remaining, 234.890625 MB of memory in use. ENERGY: 2716400 4022.7330 20507.9638 14524.4196 253.4675 -203244.0431 2607.0307 0.0000 0.0000 51962.8566 -109365.5719 298.6313 -161328.4285 -109002.7060 299.7022 -247.9449 -220.9288 762126.0954 7.0486 7.0846 PRESSURE: 2716600 103.784 39.4694 -42.7102 39.4704 -87.8601 -139.226 -42.709 -139.225 -275.815 GPRESSURE: 2716600 186.699 43.4213 -76.4186 155.162 -41.9035 -144.587 -22.8514 -78.8544 -309.704 PRESSAVG: 2716600 -62.3879 28.3028 -9.00904 28.3028 46.5498 -10.5377 -9.00905 -10.5377 -10.7953 GPRESSAVG: 2716600 -61.0185 23.3506 -9.82418 28.8225 46.7878 -10.0185 -7.66103 -13.2321 -12.2249 TIMING: 2716600 CPU: 8483.63, 0.00313728/step Wall: 8483.63, 0.00313728/step, 1.98991 hours remaining, 234.890625 MB of memory in use. ENERGY: 2716600 4002.5181 20506.9141 14467.4641 238.0375 -203142.5146 2587.5822 0.0000 0.0000 52033.8810 -109306.1175 299.0394 -161339.9985 -108950.7892 299.3748 -86.6302 -54.9697 762837.1680 -8.8778 -8.8185 PRESSURE: 2716800 -786.796 2.50075 -58.1465 2.50046 -424.465 255.672 -58.1468 255.673 -129.114 GPRESSURE: 2716800 -736.795 42.0451 12.265 -43.0878 -330.503 278.276 -111.306 170.544 -185.565 PRESSAVG: 2716800 -54.3059 -73.9241 -5.71431 -73.9241 37.4696 31.9537 -5.7143 31.9536 -11.6508 GPRESSAVG: 2716800 -54.6092 -72.1442 -3.9662 -74.7716 38.2161 32.784 -8.84362 31.4246 -11.189 TIMING: 2716800 CPU: 8484.27, 0.00318071/step Wall: 8484.27, 0.00318071/step, 2.01728 hours remaining, 234.890625 MB of memory in use. ENERGY: 2716800 4077.8879 20501.2358 14433.5375 253.0300 -202853.4797 2250.1086 0.0000 0.0000 52178.2174 -109159.4625 299.8689 -161337.6799 -108801.3877 299.1277 -446.7917 -417.6208 762960.2474 -9.4957 -9.1940 PRESSURE: 2717000 293.972 93.7493 32.0868 93.7496 -163.128 89.7101 32.087 89.7089 269.577 GPRESSURE: 2717000 315.062 59.0089 121.575 144.275 -99.6826 -13.8201 149.906 192.929 270.388 PRESSAVG: 2717000 -23.0566 -43.3789 -36.3596 -43.3789 42.1803 51.9119 -36.3596 51.9119 -0.15356 GPRESSAVG: 2717000 -22.6654 -44.2814 -36.8848 -43.2691 42.3051 52.2075 -34.1067 50.9141 -0.638219 TIMING: 2717000 CPU: 8484.89, 0.00314143/step Wall: 8484.89, 0.00314143/step, 1.99219 hours remaining, 234.890625 MB of memory in use. ENERGY: 2717000 3900.7103 20525.5860 14429.1897 246.0134 -203341.1288 2943.9529 0.0000 0.0000 52116.8962 -109178.7802 299.5165 -161295.6764 -108817.2058 299.3201 133.4738 161.9225 761615.9273 6.3234 6.3338 PRESSURE: 2717200 132.236 28.9048 105.573 28.9053 29.2526 240.107 105.573 240.108 -387.85 GPRESSURE: 2717200 79.3924 129.101 185.233 29.9635 68.5501 97.1711 -21.5936 146.071 -304.673 PRESSAVG: 2717200 -31.0072 -5.04899 31.9289 -5.04905 78.0656 -27.3366 31.9288 -27.3365 22.9117 GPRESSAVG: 2717200 -30.959 -3.94506 31.6882 -4.35401 77.91 -30.2366 30.6183 -25.5127 23.2571 TIMING: 2717200 CPU: 8485.52, 0.00311426/step Wall: 8485.52, 0.00311426/step, 1.97479 hours remaining, 234.890625 MB of memory in use. ENERGY: 2717200 3938.7244 20508.8782 14457.0440 249.9499 -203093.8570 2554.5081 0.0000 0.0000 52001.4729 -109383.2795 298.8532 -161384.7525 -109016.7576 299.1187 -75.4536 -52.2436 762358.1682 23.3234 23.4027 PRESSURE: 2717400 -208.244 108.848 -61.0503 108.848 104.216 -33.332 -61.0496 -33.3312 -244.058 GPRESSURE: 2717400 -238.142 71.9757 -62.2516 73.4131 161.517 -31.7629 -13.5448 30.5969 -180.486 PRESSAVG: 2717400 -23.7564 -19.632 -5.05278 -19.632 49.5225 -16.8191 -5.05284 -16.819 -21.0906 GPRESSAVG: 2717400 -23.9978 -20.9964 -3.32296 -21.8964 47.819 -14.3673 -5.44908 -17.5196 -19.158 TIMING: 2717400 CPU: 8486.14, 0.00310932/step Wall: 8486.14, 0.00310932/step, 1.97148 hours remaining, 234.890625 MB of memory in use. ENERGY: 2717400 3975.1308 20427.1272 14509.7265 241.0335 -203073.3233 2490.2304 0.0000 0.0000 52087.1443 -109342.9306 299.3455 -161430.0749 -108984.9286 298.9978 -116.0289 -85.7038 762722.6667 1.5585 1.5544 PRESSURE: 2717600 -173.386 -108.587 14.3631 -108.586 161.04 158.528 14.3644 158.528 -132.913 GPRESSURE: 2717600 -111.286 -64.0379 42.3583 -130.71 168.817 137.381 63.1067 301.22 -123.837 PRESSAVG: 2717600 -14.4316 -16.262 -33.4784 -16.2621 25.0632 28.2556 -33.4784 28.2556 15.6087 GPRESSAVG: 2717600 -14.6282 -13.4485 -35.67 -14.9741 26.4461 28.3343 -30.3946 29.8973 14.2559 TIMING: 2717600 CPU: 8486.77, 0.00313382/step Wall: 8486.77, 0.00313382/step, 1.98684 hours remaining, 234.890625 MB of memory in use. ENERGY: 2717600 3924.2866 20364.0970 14531.5905 252.9822 -203175.9728 2641.3583 0.0000 0.0000 51953.0917 -109508.5666 298.5751 -161461.6583 -109141.5218 298.1992 -48.4196 -22.1019 761868.1704 8.7467 8.6913 PRESSURE: 2717800 -111.456 -124.567 113.859 -124.568 261.956 -16.1767 113.859 -16.1752 -318.515 GPRESSURE: 2717800 -22.6552 -92.692 153.377 -230.391 237.957 -27.8149 32.9893 25.3448 -313.875 PRESSAVG: 2717800 -76.2316 -10.5856 -6.0689 -10.5856 52.2297 15.6793 -6.0689 15.6794 -15.8902 GPRESSAVG: 2717800 -75.6485 -12.3053 -5.71916 -10.3821 52.246 15.2069 -7.95239 14.9609 -16.4596 TIMING: 2717800 CPU: 8487.4, 0.00314905/step Wall: 8487.4, 0.00314905/step, 1.99633 hours remaining, 234.890625 MB of memory in use. ENERGY: 2717800 3981.8931 20563.8210 14529.8283 262.1111 -203417.9975 2732.5850 0.0000 0.0000 51960.4717 -109387.2873 298.6175 -161347.7590 -109032.1345 298.2302 -56.0050 -32.8576 762037.9797 -13.2974 -13.2874 PRESSURE: 2718000 94.4207 -146.203 70.7693 -146.203 -328.065 134.4 70.7693 134.399 149.99 GPRESSURE: 2718000 66.2565 -73.4336 59.6448 -215.78 -222.596 171.626 68.2958 111.892 154.051 PRESSAVG: 2718000 -26.6346 -8.52668 -16.6438 -8.52661 35.6605 6.86477 -16.6439 6.86481 1.42063 GPRESSAVG: 2718000 -27.3772 -7.95195 -15.4209 -10.289 36.5354 6.07773 -18.9668 7.05379 1.63567 TIMING: 2718000 CPU: 8488.03, 0.00315348/step Wall: 8488.03, 0.00315348/step, 1.99896 hours remaining, 234.890625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2718000 3968.9218 20624.8090 14494.2401 251.8361 -203122.8850 2381.6323 0.0000 0.0000 52255.0629 -109146.3827 300.3106 -161401.4457 -108788.1930 299.0785 -27.8848 -0.7628 761348.8906 3.4822 3.5979 PRESSURE: 2718200 -133.694 -194.356 14.5909 -194.355 37.0632 222.056 14.5907 222.057 -51.479 GPRESSURE: 2718200 -184.997 25.4616 -54.7915 -136.58 159.063 202.316 85.9941 229.177 -63.5541 PRESSAVG: 2718200 -61.5015 60.4108 -66.8719 60.4108 51.8645 14.8718 -66.8719 14.8718 -12.6189 GPRESSAVG: 2718200 -61.2853 61.4125 -67.1097 63.2772 51.4129 14.8422 -62.7081 16.4751 -12.7278 TIMING: 2718200 CPU: 8488.65, 0.00314087/step Wall: 8488.65, 0.00314087/step, 1.99079 hours remaining, 234.890625 MB of memory in use. ENERGY: 2718200 4023.5948 20618.7052 14567.6093 250.1149 -203436.4162 2717.2957 0.0000 0.0000 51863.4345 -109395.6618 298.0599 -161259.0963 -109036.8589 298.7657 -49.3700 -29.8294 763299.7369 -7.4186 -7.5334 PRESSURE: 2718400 -256.945 -36.0396 -185.756 -36.0392 -40.3586 185.154 -185.757 185.155 144.737 GPRESSURE: 2718400 -170.722 -12.8376 -137.57 -28.3481 -39.8643 221.47 -156.054 83.96 140.859 PRESSAVG: 2718400 -91.5625 38.059 -61.665 38.059 76.4059 -2.66616 -61.665 -2.66612 -21.6675 GPRESSAVG: 2718400 -90.9481 37.3765 -63.3311 36.3825 76.0867 -0.91469 -62.8195 -4.82412 -22.1177 TIMING: 2718400 CPU: 8489.28, 0.00313116/step Wall: 8489.28, 0.00313116/step, 1.98446 hours remaining, 234.890625 MB of memory in use. ENERGY: 2718400 3983.4382 20454.8550 14542.7846 254.3743 -203223.5838 2512.8057 0.0000 0.0000 52046.8584 -109428.4676 299.1140 -161475.3260 -109063.6996 298.5968 -50.8554 -23.2423 763206.6651 -12.2747 -12.3264 PRESSURE: 2718600 100.695 164.999 -19.6382 164.998 138.989 81.1142 -19.6382 81.1142 232.09 GPRESSURE: 2718600 118.695 132.829 -40.056 189.707 241.762 43.678 -42.6372 121.347 196.173 PRESSAVG: 2718600 -14.5165 -0.091897 20.5506 -0.0917807 -11.1073 -9.20888 20.5506 -9.20889 0.25628 GPRESSAVG: 2718600 -14.6245 -1.6041 23.1878 1.02856 -11.4128 -10.0542 19.3802 -8.2891 1.03564 TIMING: 2718600 CPU: 8489.91, 0.0031232/step Wall: 8489.91, 0.0031232/step, 1.97924 hours remaining, 234.890625 MB of memory in use. ENERGY: 2718600 3990.0451 20508.2883 14454.9152 238.9524 -203724.3228 3136.2549 0.0000 0.0000 52123.6666 -109272.2003 299.5554 -161395.8670 -108907.7895 299.0401 157.2580 185.5432 761508.0417 -8.4559 -8.3339 PRESSURE: 2718800 0.853052 34.9752 -24.9556 34.976 307.094 -65.995 -24.9553 -65.9943 51.4325 GPRESSURE: 2718800 129.565 49.4023 33.6906 65.3998 216.316 -74.928 -197.634 -175.927 107.705 PRESSAVG: 2718800 13.4767 30.6265 -11.2676 30.6265 5.53277 13.0377 -11.2676 13.0377 29.7548 GPRESSAVG: 2718800 12.6415 32.958 -11.5301 27.2511 5.56234 11.9611 -9.55848 15.5636 30.8084 TIMING: 2718800 CPU: 8490.53, 0.00311598/step Wall: 8490.53, 0.00311598/step, 1.97449 hours remaining, 234.890625 MB of memory in use. ENERGY: 2718800 4055.4682 20503.2618 14458.2231 235.9975 -203458.2811 2852.1389 0.0000 0.0000 52082.5061 -109270.6855 299.3189 -161353.1917 -108914.7979 299.4844 119.7932 151.1952 762335.8507 16.2548 16.3374 PRESSURE: 2719000 227.462 185.799 -140.828 185.799 40.8599 85.3159 -140.827 85.3149 -91.2973 GPRESSURE: 2719000 297.478 107.879 -277.976 214.292 58.453 83.7695 -59.0185 96.0642 -85.2762 PRESSAVG: 2719000 -47.7843 48.974 -13.1531 48.9741 91.0021 23.0809 -13.1531 23.0809 2.47977 GPRESSAVG: 2719000 -46.6231 50.3413 -14.5519 50.4892 90.5543 23.9968 -13.4257 19.9805 2.0644 TIMING: 2719000 CPU: 8491.15, 0.00312977/step Wall: 8491.15, 0.00312977/step, 1.98306 hours remaining, 234.890625 MB of memory in use. ENERGY: 2719000 4004.5114 20491.4932 14483.1269 248.7968 -203110.2541 2772.6204 0.0000 0.0000 52133.8306 -108975.8749 299.6138 -161109.7055 -108609.0690 299.9172 59.0082 90.2184 762081.4703 15.2325 15.3319 PRESSURE: 2719200 67.1163 -125.68 -134.357 -125.68 -108.074 -165.69 -134.357 -165.691 -723.572 GPRESSURE: 2719200 31.1769 -88.403 -139.237 -128.436 -85.5824 -112.639 -209.464 -183.872 -630.342 PRESSAVG: 2719200 27.7386 0.504402 -58.0323 0.504394 -7.4662 -14.5614 -58.0323 -14.5613 2.80536 GPRESSAVG: 2719200 27.9174 -2.32567 -57.6521 -0.425971 -7.31997 -14.0485 -58.3508 -14.8171 2.22631 TIMING: 2719200 CPU: 8491.78, 0.00314922/step Wall: 8491.78, 0.00314922/step, 1.99521 hours remaining, 234.890625 MB of memory in use. ENERGY: 2719200 4118.6153 20525.0877 14513.2161 259.4750 -203207.4300 2848.1750 0.0000 0.0000 51911.1525 -109031.7085 298.3341 -160942.8609 -108671.0549 299.8207 -254.8431 -228.2491 762846.8026 7.6926 7.6079 PRESSURE: 2719400 -74.4006 0.936256 -49.4059 0.93654 172.195 139.607 -49.4058 139.606 99.4187 GPRESSURE: 2719400 17.5465 17.8276 -82.5575 -33.8018 94.6855 225.445 -145.141 87.2874 154.837 PRESSAVG: 2719400 -23.6893 33.0018 -47.0034 33.0017 33.6889 -1.39708 -47.0034 -1.39715 33.045 GPRESSAVG: 2719400 -24.6544 34.0257 -47.6801 34.6869 33.8014 -0.807381 -45.521 -1.59582 33.9598 TIMING: 2719400 CPU: 8492.41, 0.00312762/step Wall: 8492.41, 0.00312762/step, 1.98135 hours remaining, 234.890625 MB of memory in use. ENERGY: 2719400 4071.8917 20560.9243 14501.0901 236.8210 -203076.6857 2697.9175 0.0000 0.0000 52006.1188 -109001.9222 298.8799 -161008.0410 -108637.3985 300.2964 65.7376 89.0232 761964.4116 14.3482 14.3689 PRESSURE: 2719600 174.854 167.507 -142.908 167.506 524.405 -60.8202 -142.908 -60.8196 61.5609 GPRESSURE: 2719600 208.328 32.1859 -138.069 125.292 508.454 -69.3453 -207.142 -122.47 132.102 PRESSAVG: 2719600 -57.3497 -25.3649 39.8519 -25.365 26.189 11.912 39.8519 11.9119 -9.55597 GPRESSAVG: 2719600 -56.4611 -26.3033 41.7578 -25.6847 25.9902 12.033 38.8326 12.1484 -10.3191 TIMING: 2719600 CPU: 8493.04, 0.00313566/step Wall: 8493.04, 0.00313566/step, 1.98627 hours remaining, 234.890625 MB of memory in use. ENERGY: 2719600 4019.8606 20495.8088 14504.8982 248.9966 -203676.0953 2947.7223 0.0000 0.0000 52352.3752 -109106.4335 300.8698 -161458.8088 -108738.1579 300.3399 253.6066 282.9613 760190.6161 -13.5722 -13.5967 PRESSURE: 2719800 441.245 104.77 -10.7601 104.77 203.66 -131.234 -10.7604 -131.235 4.34146 GPRESSURE: 2719800 422.187 13.0656 -4.10647 16.4188 257.183 -82.6428 21.7058 -36.3378 59.4264 PRESSAVG: 2719800 -17.1878 23.7932 -23.2807 23.7932 46.9695 -42.8842 -23.2807 -42.8841 -34.632 GPRESSAVG: 2719800 -17.7855 23.7677 -24.5563 23.0639 46.1987 -42.8532 -23.5125 -42.6808 -33.854 TIMING: 2719800 CPU: 8493.66, 0.00313763/step Wall: 8493.66, 0.00313763/step, 1.98734 hours remaining, 234.890625 MB of memory in use. ENERGY: 2719800 3931.0489 20607.4977 14536.2145 245.2418 -203674.1695 3182.1172 0.0000 0.0000 52287.4010 -108884.6484 300.4964 -161172.0494 -108521.7093 300.1527 216.4156 246.2654 762237.9542 -1.6168 -1.8136 PRESSURE: 2720000 -168.536 160.913 78.5115 160.913 27.7642 42.9567 78.5124 42.9563 -108.45 GPRESSURE: 2720000 -116.009 218.867 86.9858 82.8627 112.269 52.8158 81.5471 103.209 -129.756 PRESSAVG: 2720000 -2.67578 6.14999 51.3787 6.15 39.9434 8.99089 51.3788 8.99082 -0.784331 GPRESSAVG: 2720000 -0.775828 5.59129 52.7287 6.74463 40.4995 8.68296 49.8269 10.913 -3.08048 TIMING: 2720000 CPU: 8494.29, 0.00313513/step Wall: 8494.29, 0.00313513/step, 1.98558 hours remaining, 234.890625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2720000 4065.3016 20502.8932 14491.7136 248.4910 -203484.0904 2764.3089 0.0000 0.0000 52449.2549 -108962.1272 301.4266 -161411.3821 -108593.8586 300.0648 -83.0739 -44.4985 763726.0014 12.1611 12.2144 PRESSURE: 2720200 442.173 4.75382 -17.2804 4.75353 104.08 -247.037 -17.2811 -247.038 248.671 GPRESSURE: 2720200 438.24 -50.597 -136.561 84.1017 243.867 -304.699 17.6528 -172.99 223.253 PRESSAVG: 2720200 50.0845 22.9719 10.1638 22.9719 -18.1345 -43.1681 10.1638 -43.168 -1.89199 GPRESSAVG: 2720200 47.6241 23.03 8.48652 25.2777 -18.039 -42.4673 11.9625 -43.1048 0.40864 TIMING: 2720200 CPU: 8494.92, 0.00315304/step Wall: 8494.92, 0.00315304/step, 1.99675 hours remaining, 234.890625 MB of memory in use. ENERGY: 2720200 4014.7495 20710.2279 14565.9184 252.3890 -203576.1993 2914.4342 0.0000 0.0000 52160.1649 -108958.3154 299.7652 -161118.4803 -108591.9749 299.3384 264.9745 301.7866 762683.6071 10.0193 9.9979 LDB: ============= START OF LOAD BALANCING ============== 8507.4 LDB: ============== END OF LOAD BALANCING =============== 8507.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8507.41 LDB: ============= START OF LOAD BALANCING ============== 8507.72 LDB: Largest compute 7069 load 0.030673 is 15.7% of average load 0.195059 LDB: Average compute 0.004398 is 2.3% of average load 0.195059 LDB: TIME 8507.72 LOAD: AVG 0.195059 MAX 0.215492 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.637 MB LDB: TIME 8507.72 LOAD: AVG 0.195059 MAX 0.215492 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.676 MB LDB: TIME 8507.72 LOAD: AVG 0.195059 MAX 0.215492 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.676 MB LDB: ============== END OF LOAD BALANCING =============== 8507.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8507.73 PRESSURE: 2720400 -134.023 80.5385 -95.1846 80.539 -229.164 -43.9978 -95.1834 -43.9974 -108.594 GPRESSURE: 2720400 -118.625 83.7747 -46.0212 -26.8423 -188.014 -45.5291 -4.14409 -100.113 -90.9504 PRESSAVG: 2720400 31.4395 59.6983 -25.6333 59.6983 -25.9203 26.2175 -25.6333 26.2175 -4.65464 GPRESSAVG: 2720400 32.0924 57.7228 -25.4138 57.6276 -26.3522 24.8865 -26.9399 27.0103 -4.78991 TIMING: 2720400 CPU: 8495.57, 0.00321485/step Wall: 8495.57, 0.00321485/step, 2.03571 hours remaining, 234.312500 MB of memory in use. ENERGY: 2720400 4029.8432 20535.2371 14458.4339 243.1736 -203415.7188 2746.4442 0.0000 0.0000 52321.4115 -109081.1753 300.6919 -161402.5868 -108711.4440 299.9805 -157.2604 -132.5298 763041.2215 0.2882 0.3167 PRESSURE: 2720600 -171.017 -154.089 215.547 -154.089 -108.081 179.983 215.548 179.982 169.129 GPRESSURE: 2720600 -95.8817 -100.837 238.711 -89.0485 -42.1473 235.053 46.9559 71.8088 106.963 PRESSAVG: 2720600 -32.9958 12.144 -21.2832 12.1439 24.0875 -13.9209 -21.2833 -13.9209 -17.3473 GPRESSAVG: 2720600 -33.2117 13.0242 -21.8318 12.4419 24.9039 -13.7168 -20.0142 -16.1338 -18.0956 TIMING: 2720600 CPU: 8496.2, 0.00315808/step Wall: 8496.2, 0.00315808/step, 1.99959 hours remaining, 234.312500 MB of memory in use. ENERGY: 2720600 4011.7855 20620.2198 14456.4523 256.2943 -203397.9260 2792.1467 0.0000 0.0000 51954.4571 -109306.5702 298.5830 -161261.0273 -108939.6652 299.6901 -36.6563 -10.3554 763472.6639 -8.7518 -8.8011 PRESSURE: 2720800 241.084 28.5571 60.7534 28.5562 -321.975 -90.3469 60.7536 -90.3478 -13.7793 GPRESSURE: 2720800 253.924 -0.944035 -55.8147 0.99819 -214.593 -217.519 44.0476 -3.06112 -34.8308 PRESSAVG: 2720800 15.6937 -6.22724 -9.85298 -6.2273 -25.8232 -2.04745 -9.85302 -2.04748 -14.1971 GPRESSAVG: 2720800 15.5077 -7.13398 -9.61791 -6.22674 -26.9416 -2.24772 -9.96979 2.73375 -12.9695 TIMING: 2720800 CPU: 8496.82, 0.00313173/step Wall: 8496.82, 0.00313173/step, 1.98274 hours remaining, 234.312500 MB of memory in use. ENERGY: 2720800 4024.4409 20658.3593 14440.8080 237.3799 -203522.5680 2731.7232 0.0000 0.0000 52126.7326 -109303.1242 299.5730 -161429.8568 -108943.2779 299.5715 -31.5566 1.4998 762873.9105 -8.1089 -8.1344 PRESSURE: 2721000 -114.508 -113.546 45.0829 -113.545 -43.5611 70.3139 45.0825 70.3148 -33.5064 GPRESSURE: 2721000 -91.2952 -150.338 120.06 11.792 5.89363 59.6416 34.2991 252.606 -27.7148 PRESSAVG: 2721000 -46.3537 -34.9866 40.5796 -34.9866 35.6685 41.5853 40.5795 41.5853 -4.44661 GPRESSAVG: 2721000 -44.98 -32.1629 41.9544 -34.1534 36.4196 42.6287 40.2705 38.2696 -6.31956 TIMING: 2721000 CPU: 8497.45, 0.00313582/step Wall: 8497.45, 0.00313582/step, 1.98515 hours remaining, 234.312500 MB of memory in use. ENERGY: 2721000 3917.6209 20504.3001 14475.4920 251.8073 -203068.5013 2410.0205 0.0000 0.0000 52375.9835 -109133.2771 301.0055 -161509.2605 -108769.2121 299.4031 -63.8585 -37.7055 764101.4977 -5.0439 -4.9600 PRESSURE: 2721200 -12.6085 -58.5 -102.753 -58.4995 -285.203 -1.22716 -102.753 -1.2278 -340.709 GPRESSURE: 2721200 58.8286 -89.6237 -106.764 -41.5654 -317.315 13.606 -151.162 47.1979 -306.481 PRESSAVG: 2721200 2.16331 3.8586 39.0588 3.85861 24.4068 -35.4266 39.0589 -35.4267 0.456153 GPRESSAVG: 2721200 -0.0454335 4.23384 36.8386 2.56518 24.8073 -35.6966 38.8408 -36.2412 2.00948 TIMING: 2721200 CPU: 8498.08, 0.00316613/step Wall: 8498.08, 0.00316613/step, 2.00416 hours remaining, 234.312500 MB of memory in use. ENERGY: 2721200 3942.1951 20624.2925 14513.5883 247.2458 -203191.0333 2582.7603 0.0000 0.0000 52242.4725 -109038.4786 300.2382 -161280.9512 -108678.7717 299.7190 -212.8401 -188.3222 762835.8643 9.0088 8.9238 PRESSURE: 2721400 -359.79 94.8332 -26.1748 94.8332 -255.085 111.408 -26.1748 111.408 -14.1414 GPRESSURE: 2721400 -364.332 108.693 -42.6812 91.7046 -217.38 91.3073 22.8063 -5.0781 39.2456 PRESSAVG: 2721400 71.1397 12.6102 31.7104 12.6102 -44.3816 -6.23027 31.7104 -6.23036 -2.71378 GPRESSAVG: 2721400 72.3835 10.1197 32.4323 12.3105 -44.7894 -6.92755 32.52 -5.6783 -3.09919 TIMING: 2721400 CPU: 8498.71, 0.0031529/step Wall: 8498.71, 0.0031529/step, 1.99561 hours remaining, 234.312500 MB of memory in use. ENERGY: 2721400 4055.7640 20561.5110 14484.5959 235.6362 -203251.6417 2680.0473 0.0000 0.0000 52159.6130 -109074.4742 299.7620 -161234.0872 -108711.1356 299.7132 -209.6722 -180.8218 762936.3438 8.0148 8.1650 PRESSURE: 2721600 -115.584 174.742 -44.5084 174.742 -25.0234 -65.7624 -44.5088 -65.763 89.6962 GPRESSURE: 2721600 -86.8218 228.682 -56.6962 185.387 57.5305 -99.0693 -21.4014 -157.374 72.4919 PRESSAVG: 2721600 -45.1846 15.1445 33.3138 15.1445 58.6648 -17.3442 33.3139 -17.3441 18.3818 GPRESSAVG: 2721600 -46.762 17.6312 33.6348 16.0839 59.114 -17.6563 33.3643 -18.1414 18.9126 TIMING: 2721600 CPU: 8499.34, 0.00315208/step Wall: 8499.34, 0.00315208/step, 1.99491 hours remaining, 234.312500 MB of memory in use. ENERGY: 2721600 4026.0417 20420.0163 14479.6065 239.2410 -202790.1523 2507.2540 0.0000 0.0000 51916.0122 -109201.9805 298.3620 -161117.9928 -108845.1497 298.9759 -16.9704 14.4002 764211.9097 10.6207 10.4215 PRESSURE: 2721800 -99.7731 342.568 -73.4449 342.568 93.3694 -191.487 -73.4449 -191.487 181.874 GPRESSURE: 2721800 -55.8614 391.683 -8.80188 303.427 157.687 -147.055 -74.7017 -166.811 175.909 PRESSAVG: 2721800 -70.7392 4.42253 33.8084 4.4225 47.0147 -54.8548 33.8083 -54.8549 1.26634 GPRESSAVG: 2721800 -69.7453 2.19565 33.0334 4.5664 47.1048 -55.8422 32.7649 -52.5072 0.281895 TIMING: 2721800 CPU: 8499.97, 0.00315007/step Wall: 8499.97, 0.00315007/step, 1.99347 hours remaining, 234.312500 MB of memory in use. ENERGY: 2721800 4028.2168 20468.3729 14499.6135 242.2828 -203503.5173 2890.9599 0.0000 0.0000 52220.2917 -109153.7797 300.1107 -161374.0713 -108794.4247 298.9790 58.4902 92.5781 763139.8100 -7.4860 -7.4529 PRESSURE: 2722000 285.783 99.2852 45.395 99.2851 221.994 184.677 45.3947 184.677 85.6148 GPRESSURE: 2722000 276.976 28.7262 111.251 91.2862 257.16 214.208 -41.543 21.7398 117.943 PRESSAVG: 2722000 -31.5902 -29.8841 21.6986 -29.8841 56.7393 12.4362 21.6986 12.4363 -5.62306 GPRESSAVG: 2722000 -30.1328 -31.0033 23.2223 -30.5918 54.8631 12.8666 21.7339 12.3946 -4.97509 TIMING: 2722000 CPU: 8500.61, 0.00315691/step Wall: 8500.61, 0.00315691/step, 1.99762 hours remaining, 234.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2722000 3990.2649 20457.0327 14497.3995 238.0102 -203083.3651 2638.2720 0.0000 0.0000 52130.0320 -109132.3538 299.5920 -161262.3858 -108760.3358 299.2775 197.7974 217.3596 763156.4895 6.5087 6.5851 PRESSURE: 2722200 123.328 60.53 242.692 60.5302 351.415 -131.169 242.692 -131.168 -86.054 GPRESSURE: 2722200 207.793 40.7989 180.17 24.9818 299.268 -126.934 254.142 -125.993 -49.7071 PRESSAVG: 2722200 -0.543767 -27.7222 -27.6415 -27.7222 -11.7456 0.0845089 -27.6415 0.0845444 20.3311 GPRESSAVG: 2722200 -1.36733 -26.5241 -29.1989 -26.1786 -10.126 0.412706 -26.1014 -2.00476 19.7446 TIMING: 2722200 CPU: 8501.24, 0.00314731/step Wall: 8501.24, 0.00314731/step, 1.99137 hours remaining, 234.312500 MB of memory in use. ENERGY: 2722200 4027.1945 20606.7780 14551.4009 252.0211 -203668.7534 3053.4861 0.0000 0.0000 52085.5273 -109092.3456 299.3362 -161177.8729 -108728.3784 299.5385 129.5630 152.4514 763381.2192 2.6806 2.7504 PRESSURE: 2722400 97.5237 154.099 3.30548 154.099 -218.665 -20.5901 3.3056 -20.5905 -50.3752 GPRESSURE: 2722400 112.553 109.302 -15.8386 178.722 -83.3074 -66.9524 66.7775 61.8882 -113.139 PRESSAVG: 2722400 -45.806 5.07448 11.302 5.07446 70.1492 34.7001 11.3019 34.7001 -6.24721 GPRESSAVG: 2722400 -47.1857 4.67459 11.6076 4.99576 70.7188 34.2011 12.1936 36.9024 -6.00764 TIMING: 2722400 CPU: 8501.86, 0.00313486/step Wall: 8501.86, 0.00313486/step, 1.98332 hours remaining, 234.312500 MB of memory in use. ENERGY: 2722400 4057.3418 20640.0210 14482.0207 261.8898 -203610.5194 3054.4896 0.0000 0.0000 52190.5699 -108924.1865 299.9399 -161114.7564 -108561.0862 299.9781 -57.1721 -27.9643 762060.8056 6.0320 5.8418 PRESSURE: 2722600 91.493 -137.644 57.4681 -137.643 248.295 -250.269 57.4679 -250.269 114.09 GPRESSURE: 2722600 111.91 -93.5517 58.8956 -166.745 281.419 -346.918 8.00348 -51.3544 173.121 PRESSAVG: 2722600 -7.85826 -9.69926 -30.365 -9.69929 67.6698 13.3365 -30.3649 13.3365 -16.2776 GPRESSAVG: 2722600 -7.29026 -6.80506 -29.9816 -11.5312 66.816 12.1946 -33.464 10.7775 -16.5164 TIMING: 2722600 CPU: 8502.49, 0.00313742/step Wall: 8502.49, 0.00313742/step, 1.98476 hours remaining, 234.312500 MB of memory in use. ENERGY: 2722600 3932.4229 20503.8405 14619.1924 245.1754 -203658.8557 3243.9200 0.0000 0.0000 52099.4197 -109014.8849 299.4161 -161114.3046 -108656.1995 299.7381 151.2928 188.8165 762848.4394 14.5113 14.3364 PRESSURE: 2722800 -157.168 18.74 124.969 18.7398 226.956 144.853 124.969 144.853 -152.787 GPRESSURE: 2722800 -85.4628 66.1383 186.401 -67.7515 212.611 151.594 222.666 183.875 -116.477 PRESSAVG: 2722800 0.958665 -15.893 -23.6927 -15.8929 -30.3753 51.9581 -23.6927 51.9581 9.76537 GPRESSAVG: 2722800 0.124657 -17.0188 -23.5383 -16.6801 -29.765 54.3223 -23.2276 54.1338 9.23209 TIMING: 2722800 CPU: 8503.12, 0.00315059/step Wall: 8503.12, 0.00315059/step, 1.99292 hours remaining, 234.312500 MB of memory in use. ENERGY: 2722800 3986.3685 20501.1299 14556.7450 248.1399 -203679.3705 3094.2626 0.0000 0.0000 52209.0732 -109083.6514 300.0463 -161292.7246 -108708.2806 299.8149 -27.6663 3.5569 763177.8137 -6.5504 -6.8027 PRESSURE: 2723000 -126.175 -173.068 92.6291 -173.068 -196.937 -93.7455 92.6294 -93.7458 74.9617 GPRESSURE: 2723000 -0.650102 -189.335 91.0569 -217.724 -191.24 11.3573 52.9019 173.609 43.8642 PRESSAVG: 2723000 -28.2592 1.23313 -38.8845 1.23317 3.49306 8.11797 -38.8844 8.11792 1.10027 GPRESSAVG: 2723000 -27.0912 0.998817 -39.6403 2.55736 2.58462 8.67901 -34.176 7.24762 0.916775 TIMING: 2723000 CPU: 8503.75, 0.0031595/step Wall: 8503.75, 0.0031595/step, 1.99838 hours remaining, 234.312500 MB of memory in use. ENERGY: 2723000 4012.4711 20414.3223 14589.1977 256.8447 -203156.4497 2715.7606 0.0000 0.0000 51975.7850 -109192.0683 298.7056 -161167.8532 -108828.3248 299.4876 -82.7169 -49.3418 763503.9191 -7.8886 -7.8633 PRESSURE: 2723200 325.876 -48.884 -183.534 -48.8846 385.336 -37.2018 -183.534 -37.2025 677.847 GPRESSURE: 2723200 404.317 -68.1029 -168.293 -112.402 416.562 -1.72647 -182.638 -28.8632 651.825 PRESSAVG: 2723200 43.5904 -8.58868 -1.36464 -8.58866 -70.9351 -0.0628679 -1.36464 -0.0628653 -5.71288 GPRESSAVG: 2723200 43.1462 -8.35577 -2.01086 -9.77575 -71.43 -0.801329 -3.35369 -1.99998 -4.79802 TIMING: 2723200 CPU: 8504.38, 0.00316438/step Wall: 8504.38, 0.00316438/step, 2.00129 hours remaining, 234.312500 MB of memory in use. ENERGY: 2723200 3920.3079 20441.3219 14472.6437 254.3074 -203781.6218 3116.2635 0.0000 0.0000 52274.0019 -109302.7754 300.4194 -161576.7773 -108929.0794 298.9649 463.0196 490.9010 760391.8420 -11.0192 -11.0273 PRESSURE: 2723400 -82.1795 35.2617 310.567 35.2624 -368.654 172.046 310.568 172.046 -255.369 GPRESSURE: 2723400 -125.382 111.919 274.956 195.423 -297.868 30.0394 338.432 259.302 -218.222 PRESSAVG: 2723400 39.6567 -25.1237 -25.471 -25.1236 -7.61236 44.5824 -25.471 44.5823 -5.69599 GPRESSAVG: 2723400 40.1519 -25.7322 -25.2605 -22.1593 -6.42768 43.6074 -26.5561 47.7819 -7.77054 TIMING: 2723400 CPU: 8505.01, 0.00314935/step Wall: 8505.01, 0.00314935/step, 1.99161 hours remaining, 234.312500 MB of memory in use. ENERGY: 2723400 3948.0432 20542.4742 14564.1904 246.6958 -203317.7061 2621.3398 0.0000 0.0000 52114.8285 -109280.1341 299.5046 -161394.9626 -108899.8339 299.1592 -235.4008 -213.8239 761625.8572 8.7828 8.6512 PRESSURE: 2723600 -81.4197 -185.439 39.2438 -185.438 -51.4354 -11.5977 39.2436 -11.5971 55.75 GPRESSURE: 2723600 -94.4229 -183.915 30.9969 -161.588 23.9498 118.814 44.292 3.23555 59.1326 PRESSAVG: 2723600 10.6286 -33.0125 27.4816 -33.0126 17.824 -37.6286 27.4816 -37.6287 -6.16417 GPRESSAVG: 2723600 9.27395 -34.0939 28.3482 -31.9641 17.3856 -37.3536 27.9911 -38.2039 -4.37463 TIMING: 2723600 CPU: 8505.65, 0.00316537/step Wall: 8505.65, 0.00316537/step, 2.00157 hours remaining, 234.312500 MB of memory in use. ENERGY: 2723600 4050.3179 20517.1593 14559.5624 229.7801 -203290.4715 2446.7953 0.0000 0.0000 52035.9854 -109450.8709 299.0515 -161486.8563 -109088.9956 299.2536 -25.7017 -3.7802 761576.2227 7.4295 7.4283 PRESSURE: 2723800 7.52448 207.926 -40.22 207.926 299.551 93.6921 -40.2197 93.6916 171.86 GPRESSURE: 2723800 109.15 201.203 -63.9005 172.454 369.075 65.6159 -119.466 251.411 112.979 PRESSAVG: 2723800 3.54116 -35.7816 -26.9273 -35.7816 -26.8457 22.9407 -26.9272 22.9408 20.8693 GPRESSAVG: 2723800 3.48569 -35.7748 -27.1665 -37.6217 -27.4326 23.1657 -29.4757 24.4807 21.8179 TIMING: 2723800 CPU: 8506.28, 0.00316778/step Wall: 8506.28, 0.00316778/step, 2.00292 hours remaining, 234.312500 MB of memory in use. ENERGY: 2723800 4030.4299 20499.9321 14554.4073 240.0106 -203594.3174 2942.5220 0.0000 0.0000 51962.3159 -109364.6997 298.6281 -161327.0155 -109013.6379 298.7771 159.6451 197.0682 761920.8961 -0.8118 -0.7097 PRESSURE: 2724000 -341.247 3.16477 223.92 3.16451 -4.76702 306.766 223.919 306.764 -123.537 GPRESSURE: 2724000 -344.209 43.1588 220.89 -16.73 115.508 321.511 192.299 231.608 -137.955 PRESSAVG: 2724000 -0.63297 -30.0684 3.98512 -30.0684 27.271 40.0016 3.98513 40.0017 14.45 GPRESSAVG: 2724000 -0.0654824 -29.9661 3.31969 -28.8713 26.9642 41.6811 3.89651 36.5855 14.013 TIMING: 2724000 CPU: 8506.91, 0.00315116/step Wall: 8506.91, 0.00315116/step, 1.99223 hours remaining, 234.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2724000 4027.8595 20402.3305 14579.0445 241.7383 -203022.4529 2535.4114 0.0000 0.0000 51972.5385 -109263.5302 298.6869 -161236.0688 -108898.9259 298.7848 -156.5171 -122.2187 762661.2232 13.6960 13.6372 PRESSURE: 2724200 -115.453 -72.5528 -198.928 -72.5524 -173.028 -95.6357 -198.928 -95.6361 -29.7953 GPRESSURE: 2724200 -112.742 -21.1898 -261.017 -140.306 -190.6 -145.647 -139.109 -42.8778 76.555 PRESSAVG: 2724200 -102.575 -35.7924 -14.5807 -35.7924 73.0968 -3.19839 -14.5808 -3.19842 1.05682 GPRESSAVG: 2724200 -103.265 -34.362 -13.1179 -37.0908 72.0752 -3.89575 -12.217 -1.72567 2.24747 TIMING: 2724200 CPU: 8507.54, 0.00316333/step Wall: 8507.54, 0.00316333/step, 1.99975 hours remaining, 234.312500 MB of memory in use. ENERGY: 2724200 3994.4425 20447.6108 14499.0086 256.6214 -202969.1827 2475.2643 0.0000 0.0000 52222.5015 -109073.7335 300.1234 -161296.2351 -108712.3829 299.0690 -106.0920 -75.5956 763083.2478 -9.4738 -9.6474 LDB: ============= START OF LOAD BALANCING ============== 8520.03 LDB: ============== END OF LOAD BALANCING =============== 8520.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8520.03 LDB: ============= START OF LOAD BALANCING ============== 8520.34 LDB: Largest compute 7041 load 0.029874 is 15.3% of average load 0.195121 LDB: Average compute 0.004394 is 2.3% of average load 0.195121 LDB: TIME 8520.35 LOAD: AVG 0.195121 MAX 0.215487 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.875 MB LDB: TIME 8520.35 LOAD: AVG 0.195121 MAX 0.215487 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.945 MB LDB: TIME 8520.35 LOAD: AVG 0.195121 MAX 0.215487 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.945 MB LDB: ============== END OF LOAD BALANCING =============== 8520.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8520.35 PRESSURE: 2724400 23.1948 -36.5951 -195.357 -36.5958 -227.634 43.4975 -195.357 43.498 -372.992 GPRESSURE: 2724400 25.7762 -114.26 -42.8847 2.86272 -205.865 59.2247 -203.842 -75.0482 -311.608 PRESSAVG: 2724400 -7.5315 24.9824 19.6965 24.9823 4.10115 15.3577 19.6964 15.3576 -3.14411 GPRESSAVG: 2724400 -7.07885 22.2036 19.1207 25.1029 5.21654 15.0257 18.3274 14.7147 -5.00631 TIMING: 2724400 CPU: 8508.19, 0.00321391/step Wall: 8508.19, 0.00321391/step, 2.03155 hours remaining, 234.421875 MB of memory in use. ENERGY: 2724400 4064.3080 20624.9217 14527.8032 257.9434 -203196.0732 2793.7140 0.0000 0.0000 51809.9115 -109117.4714 297.7523 -160927.3829 -108770.3687 299.5838 -192.4771 -163.8992 762507.7013 -2.1915 -2.2895 PRESSURE: 2724600 -141.58 17.006 -89.1013 17.0067 -302.605 44.3572 -89.1009 44.358 45.2687 GPRESSURE: 2724600 -55.772 -22.1658 -155.596 -35.0204 -322.494 78.1555 -23.9194 -10.8478 63.4345 PRESSAVG: 2724600 31.2961 -3.3974 -9.1046 -3.39747 -12.83 22.654 -9.1046 22.6541 -2.73366 GPRESSAVG: 2724600 31.789 -2.20913 -9.65049 -4.83081 -13.5978 22.861 -8.40672 21.2895 -2.33364 TIMING: 2724600 CPU: 8508.81, 0.0031311/step Wall: 8508.81, 0.0031311/step, 1.97903 hours remaining, 234.625000 MB of memory in use. ENERGY: 2724600 3977.5796 20490.1164 14435.8684 260.3432 -202626.9833 2279.0764 0.0000 0.0000 52212.8704 -108971.1289 300.0681 -161183.9994 -108600.6292 299.2386 -132.9719 -104.9439 762620.1998 5.2441 5.2858 PRESSURE: 2724800 267.094 191.896 -143.536 191.895 -136.373 21.3422 -143.535 21.3441 -277.438 GPRESSURE: 2724800 228.062 123.283 -197.866 195.74 -118.555 79.1622 -81.2006 -20.9054 -178.692 PRESSAVG: 2724800 51.4666 17.7132 10.4353 17.7132 -32.707 38.104 10.4353 38.1041 -21.7374 GPRESSAVG: 2724800 51.9128 19.2155 10.7546 17.3267 -34.0762 39.4875 9.76287 38.1434 -21.5166 TIMING: 2724800 CPU: 8509.44, 0.00313266/step Wall: 8509.44, 0.00313266/step, 1.97984 hours remaining, 234.625000 MB of memory in use. ENERGY: 2724800 3958.1885 20460.1690 14615.2485 253.9350 -203109.4803 2928.5737 0.0000 0.0000 51886.2589 -109007.1066 298.1910 -160893.3655 -108657.3996 299.4903 -48.9058 -23.0618 764724.8816 -0.9926 -1.2267 PRESSURE: 2725000 -234.707 -79.0025 -51.0577 -79.0026 -86.5493 -17.335 -51.0571 -17.3352 22.2295 GPRESSURE: 2725000 -177.83 -107.136 -93.9473 -59.3233 -70.4554 4.44005 -99.9753 -94.7332 40.1644 PRESSAVG: 2725000 -5.49673 16.4322 6.27972 16.4322 11.7525 -12.0179 6.27972 -12.0179 6.78927 GPRESSAVG: 2725000 -6.81705 16.6088 5.48111 17.2702 13.6047 -12.6088 5.32458 -10.9148 6.67616 TIMING: 2725000 CPU: 8510.07, 0.00313618/step Wall: 8510.07, 0.00313618/step, 1.98189 hours remaining, 234.625000 MB of memory in use. ENERGY: 2725000 4029.1833 20501.8053 14533.6415 258.3661 -203090.2661 2801.3190 0.0000 0.0000 51871.6043 -109094.3466 298.1068 -160965.9508 -108727.5068 299.4115 -99.6756 -69.3736 762152.8511 4.3484 4.4880 PRESSURE: 2725200 401.748 -132.542 -136.39 -132.542 102.035 55.9296 -136.39 55.9283 187.849 GPRESSURE: 2725200 403.684 -110.93 -216.136 -118.915 153.132 89.0677 -105.509 84.5022 211.295 PRESSAVG: 2725200 32.5077 -41.7718 -19.9124 -41.7718 -14.3988 -3.86639 -19.9124 -3.86641 -6.18571 GPRESSAVG: 2725200 31.3678 -42.4069 -20.3366 -40.5165 -13.0535 -3.74614 -19.3456 -5.16603 -6.51527 TIMING: 2725200 CPU: 8510.69, 0.00313271/step Wall: 8510.69, 0.00313271/step, 1.97953 hours remaining, 234.625000 MB of memory in use. ENERGY: 2725200 3946.5992 20559.2983 14457.6981 253.3809 -203102.1600 2743.2168 0.0000 0.0000 52071.0642 -109070.9025 299.2531 -161141.9666 -108718.6562 299.3785 230.5437 256.0368 762757.1511 3.9744 3.9330 PRESSURE: 2725400 270.918 -163.989 148.12 -163.988 219.623 34.2682 148.118 34.2686 -172.18 GPRESSURE: 2725400 309.744 -130.054 80.1534 -161.882 288.604 -50.4528 217.158 91.3407 -216.488 PRESSAVG: 2725400 2.0606 -61.7114 2.75147 -61.7114 5.63321 36.3349 2.75147 36.335 24.0015 GPRESSAVG: 2725400 2.31313 -61.8842 4.29587 -62.2266 6.01531 33.808 2.58199 39.756 22.975 TIMING: 2725400 CPU: 8511.32, 0.003148/step Wall: 8511.32, 0.003148/step, 1.98901 hours remaining, 234.625000 MB of memory in use. ENERGY: 2725400 3984.1522 20516.7094 14491.9571 247.2250 -203215.6173 2714.2580 0.0000 0.0000 51958.6013 -109302.7143 298.6068 -161261.3156 -108944.8361 299.2019 106.1203 127.2866 762335.8510 10.5651 10.4345 PRESSURE: 2725600 -11.0634 -180.241 -32.601 -180.241 -157.226 37.6456 -32.6009 37.6447 137.444 GPRESSURE: 2725600 -52.0483 -253.876 -56.4536 -189.597 -85.6719 -23.3841 19.4523 90.9287 161.852 PRESSAVG: 2725600 -7.71483 10.7376 -41.523 10.7376 13.2186 -4.06964 -41.523 -4.06959 2.78606 GPRESSAVG: 2725600 -6.10246 12.7602 -41.2326 8.10627 12.3009 -2.99608 -41.7683 -4.33571 2.13456 TIMING: 2725600 CPU: 8511.95, 0.00315133/step Wall: 8511.95, 0.00315133/step, 1.99094 hours remaining, 234.625000 MB of memory in use. ENERGY: 2725600 3977.7270 20665.8097 14406.8855 243.3838 -203275.3328 2561.5901 0.0000 0.0000 51983.0711 -109436.8655 298.7474 -161419.9367 -109076.4288 299.2829 -10.2816 8.0440 762594.8313 2.7633 2.7777 PRESSURE: 2725800 -52.492 3.0293 -261.978 3.02863 -242.015 -246.117 -261.977 -246.117 -103.483 GPRESSURE: 2725800 -12.3684 12.5248 -344.453 -13.8409 -262.226 -169.106 -233.791 -200.944 -34.6759 PRESSAVG: 2725800 -31.0219 -4.79429 -43.9264 -4.7943 7.64592 -29.6276 -43.9264 -29.6276 13.8727 GPRESSAVG: 2725800 -30.4701 -6.86385 -44.4304 -2.8501 5.55151 -28.5375 -43.1167 -30.5613 15.6261 TIMING: 2725800 CPU: 8512.58, 0.00313364/step Wall: 8512.58, 0.00313364/step, 1.97959 hours remaining, 234.625000 MB of memory in use. ENERGY: 2725800 4062.5809 20370.2298 14400.1953 230.3655 -203078.8254 2797.3668 0.0000 0.0000 51831.6343 -109386.4528 297.8771 -161218.0871 -109010.2637 298.9693 -132.6634 -103.0900 763773.0699 -3.1677 -3.0975 PRESSURE: 2726000 31.4334 -244.106 52.583 -244.106 -178.543 30.5603 52.5821 30.5589 491.04 GPRESSURE: 2726000 153.793 -191.784 -3.31951 -93.2733 -108.845 51.4993 39.743 23.0992 386.581 PRESSAVG: 2726000 23.9054 -22.3585 -41.0542 -22.3585 -53.8208 -5.33582 -41.0542 -5.3358 -15.7527 GPRESSAVG: 2726000 22.3971 -22.027 -42.2512 -20.9108 -52.0139 -5.99314 -40.2177 -4.9529 -16.6052 TIMING: 2726000 CPU: 8513.21, 0.00313519/step Wall: 8513.21, 0.00313519/step, 1.98039 hours remaining, 234.625000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2726000 4004.1485 20329.9606 14418.6588 241.0518 -202797.9558 2573.4025 0.0000 0.0000 52036.2956 -109194.4380 299.0533 -161230.7336 -108821.6561 299.1358 114.6434 143.8430 763153.1262 -15.2227 -15.4073 PRESSURE: 2726200 -184.057 330.373 230.877 330.374 -29.717 206.563 230.877 206.564 -125.412 GPRESSURE: 2726200 -54.7252 234.893 348.299 184.086 -36.1333 161.458 55.4617 9.41625 -161.363 PRESSAVG: 2726200 -9.24392 -25.5244 0.819432 -25.5244 -1.54415 20.7047 0.819355 20.7047 13.182 GPRESSAVG: 2726200 -8.8122 -26.2907 3.42171 -27.5309 -2.23106 20.8502 -2.43151 18.2152 13.1338 TIMING: 2726200 CPU: 8513.83, 0.00312785/step Wall: 8513.83, 0.00312785/step, 1.97558 hours remaining, 234.625000 MB of memory in use. ENERGY: 2726200 3935.7000 20327.9821 14471.9656 243.0666 -202931.1290 2604.6169 0.0000 0.0000 52327.7464 -109020.0515 300.7283 -161347.7979 -108647.5911 299.0327 -113.0623 -84.0740 762880.1903 0.7980 0.6969 PRESSURE: 2726400 86.6555 -228.188 56.8336 -228.188 -81.4475 -41.3637 56.8326 -41.3621 350.775 GPRESSURE: 2726400 80.7013 -194.419 17.0349 -195.255 26.743 -19.5601 -20.6469 -23.2572 326.686 PRESSAVG: 2726400 20.4844 -23.9479 -22.3178 -23.948 -1.12174 -31.9046 -22.3177 -31.9046 -22.2489 GPRESSAVG: 2726400 21.6964 -24.0044 -23.3696 -22.4032 -1.76114 -31.9907 -20.7777 -29.1178 -22.7284 TIMING: 2726400 CPU: 8514.46, 0.00312474/step Wall: 8514.46, 0.00312474/step, 1.97345 hours remaining, 234.625000 MB of memory in use. ENERGY: 2726400 3972.8283 20574.8885 14472.6499 231.7258 -203210.6435 2960.7636 0.0000 0.0000 51912.1559 -109085.6315 298.3399 -160997.7874 -108716.6183 299.4833 118.6610 144.7102 762256.1561 -0.9621 -0.9311 PRESSURE: 2726600 390.562 -177.096 -132.41 -177.096 -15.0715 -51.3627 -132.41 -51.3631 66.3174 GPRESSURE: 2726600 401.111 -124.776 -109.836 -82.8033 -69.8729 -108.369 -283.081 153.791 197.495 PRESSAVG: 2726600 42.3239 -31.2759 20.2415 -31.2759 -8.03382 10.4444 20.2416 10.4444 7.05895 GPRESSAVG: 2726600 42.0387 -31.521 17.7744 -32.4567 -7.52325 10.8023 21.5064 8.66083 6.73553 TIMING: 2726600 CPU: 8515.09, 0.00314795/step Wall: 8515.09, 0.00314795/step, 1.98793 hours remaining, 234.625000 MB of memory in use. ENERGY: 2726600 4008.4443 20483.3338 14478.6007 238.3695 -202932.8483 2622.7174 0.0000 0.0000 52041.3044 -109060.0783 299.0821 -161101.3827 -108706.0870 299.2860 147.2692 176.2444 762745.7040 13.7830 13.7503 PRESSURE: 2726800 9.47595 -72.8177 76.3879 -72.8177 177.169 -36.3577 76.3876 -36.3591 534.897 GPRESSURE: 2726800 150.407 2.82502 50.4897 -14.4367 148.698 -41.4303 251.474 30.6142 517.243 PRESSAVG: 2726800 -25.5431 -46.8149 17.5205 -46.815 -49.4743 25.6852 17.5205 25.6852 7.18505 GPRESSAVG: 2726800 -25.1777 -45.1599 18.6342 -48.4761 -50.1682 25.8224 17.6452 28.1393 8.19736 TIMING: 2726800 CPU: 8515.71, 0.00312614/step Wall: 8515.71, 0.00312614/step, 1.97398 hours remaining, 234.625000 MB of memory in use. ENERGY: 2726800 3928.3471 20386.1240 14477.6546 243.1810 -203132.4661 2695.3742 0.0000 0.0000 52154.8370 -109246.9482 299.7346 -161401.7852 -108881.6184 299.7239 240.5139 272.1163 761396.8896 -22.6108 -22.3828 PRESSURE: 2727000 -184.231 22.762 -132.3 22.7624 234.529 -53.892 -132.3 -53.8907 222.737 GPRESSURE: 2727000 -220.873 -53.0406 -206.751 43.9751 365.24 -9.88845 -79.2906 -28.2939 204.717 PRESSAVG: 2727000 12.1162 28.8389 32.2909 28.8389 -1.24648 -10.8547 32.2909 -10.8547 -12.4416 GPRESSAVG: 2727000 11.486 26.6048 31.7273 29.388 -0.11543 -12.0072 32.368 -12.0806 -12.9624 TIMING: 2727000 CPU: 8516.34, 0.00313691/step Wall: 8516.34, 0.00313691/step, 1.98061 hours remaining, 234.625000 MB of memory in use. ENERGY: 2727000 4047.2014 20538.6103 14466.8575 252.9043 -203284.9319 2801.8736 0.0000 0.0000 51966.9011 -109210.5838 298.6545 -161177.4849 -108858.3284 299.5758 91.0120 116.3614 761977.3214 -0.5240 -0.5306 PRESSURE: 2727200 -212.927 178.78 42.2977 178.78 61.5222 -26.5861 42.2972 -26.5858 269.108 GPRESSURE: 2727200 -77.368 95.3943 9.98464 137.532 62.5248 -152.573 111.688 101.17 195.574 PRESSAVG: 2727200 17.7029 -9.39659 -43.7418 -9.3966 -32.8826 -17.6226 -43.7417 -17.6225 26.9621 GPRESSAVG: 2727200 18.3541 -8.16866 -42.6924 -9.10485 -32.8967 -16.1251 -42.856 -18.6867 26.2865 TIMING: 2727200 CPU: 8516.97, 0.00314611/step Wall: 8516.97, 0.00314611/step, 1.98625 hours remaining, 234.625000 MB of memory in use. ENERGY: 2727200 4010.1497 20457.2338 14514.3644 247.1562 -203378.4175 2668.5847 0.0000 0.0000 51795.1492 -109685.7795 297.6674 -161480.9288 -109323.0358 298.7486 39.2342 60.2436 761963.8991 3.9275 3.9146 PRESSURE: 2727400 -163.25 -82.7566 90.1547 -82.7568 -345.862 -212.587 90.1559 -212.588 -384.042 GPRESSURE: 2727400 -112.798 4.3933 178.599 -55.5615 -313.572 -173.003 47.5546 -96.602 -378.205 PRESSAVG: 2727400 5.00264 -2.10805 13.954 -2.10801 24.9661 -13.2171 13.954 -13.217 16.7659 GPRESSAVG: 2727400 4.81862 -2.87475 13.0616 -1.54758 25.5107 -13.8022 14.4093 -11.4101 16.3716 TIMING: 2727400 CPU: 8517.6, 0.00314889/step Wall: 8517.6, 0.00314889/step, 1.98782 hours remaining, 234.625000 MB of memory in use. ENERGY: 2727400 3951.1197 20351.2540 14476.9162 250.2791 -202777.1048 2283.4074 0.0000 0.0000 51698.1058 -109766.0226 297.1097 -161464.1283 -109392.9725 297.9794 -297.7181 -268.1918 762294.5520 15.5782 15.5670 PRESSURE: 2727600 -134.266 57.4504 123.726 57.45 -243.55 28.0693 123.726 28.0693 300.967 GPRESSURE: 2727600 -160.332 18.7089 84.5151 188.876 -189.667 -65.7116 43.2004 -4.69252 343.627 PRESSAVG: 2727600 6.88238 -43.3922 22.678 -43.3922 35.1324 43.491 22.6781 43.4909 -2.2191 GPRESSAVG: 2727600 6.53764 -44.8266 24.1899 -43.2609 33.7648 43.7861 18.9215 42.771 -0.994447 TIMING: 2727600 CPU: 8518.23, 0.00313248/step Wall: 8518.23, 0.00313248/step, 1.97729 hours remaining, 234.625000 MB of memory in use. ENERGY: 2727600 3995.5466 20572.3092 14362.2301 258.6424 -203105.2861 2647.8526 0.0000 0.0000 51793.9545 -109474.7507 297.6606 -161268.7053 -109115.6973 298.0338 -25.6160 -2.1239 762735.6926 13.2652 13.1026 PRESSURE: 2727800 -39.5162 -153.626 -216.642 -153.626 168.01 112.305 -216.641 112.306 43.198 GPRESSURE: 2727800 55.4528 -76.5029 -152.498 -148.608 123.585 90.3398 -209.925 116.332 63.5375 PRESSAVG: 2727800 18.2222 -47.4941 -21.8265 -47.494 20.4267 36.2969 -21.8265 36.2969 12.7139 GPRESSAVG: 2727800 17.0445 -46.7333 -23.4675 -46.4579 21.4038 35.2426 -20.4399 34.6252 13.0791 TIMING: 2727800 CPU: 8518.86, 0.00315308/step Wall: 8518.86, 0.00315308/step, 1.99012 hours remaining, 234.625000 MB of memory in use. ENERGY: 2727800 3962.1430 20417.3030 14498.4279 236.1959 -202889.6303 2484.9523 0.0000 0.0000 52057.1983 -109233.4099 299.1734 -161290.6082 -108865.4578 298.7907 57.2307 80.8583 761601.7235 17.1209 17.1758 PRESSURE: 2728000 -85.6399 -148.614 -159.63 -148.614 19.8431 -205.594 -159.63 -205.595 -281.075 GPRESSURE: 2728000 -123.063 -149.943 -244.246 -107.018 128.087 -227.976 -125.329 -24.0042 -266.79 PRESSAVG: 2728000 23.1446 -85.8185 -24.4315 -85.8185 -38.0873 -6.53099 -24.4316 -6.53107 -7.91324 GPRESSAVG: 2728000 23.9108 -84.7616 -23.36 -85.4362 -38.5879 -5.72168 -22.7023 -5.96127 -7.78848 TIMING: 2728000 CPU: 8519.49, 0.00317016/step Wall: 8519.49, 0.00317016/step, 2.00072 hours remaining, 234.625000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2728000 3969.4809 20426.7209 14456.9868 240.5634 -203059.3891 2500.1738 0.0000 0.0000 52030.7003 -109434.7631 299.0211 -161465.4633 -109071.6210 298.8533 -115.6239 -87.2556 761728.9016 -7.6187 -7.4885 PRESSURE: 2728200 89.6272 -68.2648 125.775 -68.2651 -62.5462 183.542 125.776 183.542 72.6162 GPRESSURE: 2728200 61.9907 -163.194 65.7171 -82.8035 70.4852 107.606 88.3753 204.839 70.531 PRESSAVG: 2728200 27.0016 -66.0646 -13.0503 -66.0645 -30.2154 -8.94109 -13.0504 -8.94106 -3.89579 GPRESSAVG: 2728200 26.3688 -66.375 -13.8908 -67.2424 -29.4803 -9.62709 -14.4571 -9.20524 -4.28641 TIMING: 2728200 CPU: 8520.12, 0.00315314/step Wall: 8520.12, 0.00315314/step, 1.98981 hours remaining, 234.625000 MB of memory in use. ENERGY: 2728200 3996.8417 20421.6475 14452.6041 259.5033 -203333.2840 2830.4199 0.0000 0.0000 51903.2400 -109469.0274 298.2886 -161372.2674 -109099.8952 298.9156 33.2324 67.6689 761944.9019 -2.3699 -2.4660 LDB: ============= START OF LOAD BALANCING ============== 8532.6 LDB: ============== END OF LOAD BALANCING =============== 8532.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8532.6 LDB: ============= START OF LOAD BALANCING ============== 8532.91 LDB: Largest compute 7064 load 0.029564 is 15.1% of average load 0.195174 LDB: Average compute 0.004394 is 2.3% of average load 0.195174 LDB: TIME 8532.92 LOAD: AVG 0.195174 MAX 0.217684 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.715 MB LDB: TIME 8532.92 LOAD: AVG 0.195174 MAX 0.217684 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.715 MB LDB: TIME 8532.92 LOAD: AVG 0.195174 MAX 0.217684 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.715 MB LDB: ============== END OF LOAD BALANCING =============== 8532.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8532.92 PRESSURE: 2728400 -6.24287 -9.95348 50.6854 -9.9534 233.677 -133.04 50.6857 -133.04 -87.0471 GPRESSURE: 2728400 70.5409 10.9435 35.8823 92.8405 213.049 -119.55 64.2517 -95.1008 -73.6695 PRESSAVG: 2728400 -9.76812 -43.3177 -10.4373 -43.3176 27.0467 1.24778 -10.4374 1.24782 -3.5619 GPRESSAVG: 2728400 -9.18588 -41.3046 -10.6712 -43.3427 26.3335 2.43447 -10.167 1.76995 -3.33493 TIMING: 2728400 CPU: 8520.76, 0.00318302/step Wall: 8520.76, 0.00318302/step, 2.00849 hours remaining, 233.031250 MB of memory in use. ENERGY: 2728400 3944.1812 20381.6317 14529.9275 255.1327 -203260.9619 2698.3992 0.0000 0.0000 52006.7358 -109444.9538 298.8834 -161451.6896 -109075.8693 298.5086 46.7957 69.9735 761972.2123 4.5722 4.6042 PRESSURE: 2728600 104.219 32.6637 -99.3612 32.6642 -44.0483 -257.065 -99.3616 -257.065 344.649 GPRESSURE: 2728600 16.7095 -90.1345 -127.56 1.80315 94.9573 -148.933 -197.396 -142.17 368.847 PRESSAVG: 2728600 17.1592 -25.3771 -2.61142 -25.3771 40.3572 16.084 -2.61144 16.084 9.51826 GPRESSAVG: 2728600 17.0057 -27.2443 -1.49264 -23.9928 39.6831 16.3597 -2.30593 15.2727 9.52297 TIMING: 2728600 CPU: 8521.38, 0.00312597/step Wall: 8521.38, 0.00312597/step, 1.97231 hours remaining, 233.031250 MB of memory in use. ENERGY: 2728600 3899.0399 20487.1436 14497.6252 268.1051 -203204.1486 2710.1609 0.0000 0.0000 51927.7396 -109414.3343 298.4294 -161342.0739 -109064.7340 298.5638 134.9397 160.1714 763277.3059 22.3449 22.0706 PRESSURE: 2728800 -292 -117.509 148.912 -117.509 -217.65 193.103 148.913 193.103 145.122 GPRESSURE: 2728800 -209.806 -195.025 178.841 -205.393 -161.1 257.002 80.7614 138.849 115.436 PRESSAVG: 2728800 -28.247 10.878 -15.6824 10.8779 49.0358 14.3946 -15.6824 14.3946 -13.6587 GPRESSAVG: 2728800 -27.4144 10.1759 -13.6535 8.91992 49.38 13.8991 -16.4152 15.9876 -14.3187 TIMING: 2728800 CPU: 8522.01, 0.00313118/step Wall: 8522.01, 0.00313118/step, 1.97542 hours remaining, 233.031250 MB of memory in use. ENERGY: 2728800 3943.7710 20395.0941 14490.2377 243.6746 -203146.2381 2617.5830 0.0000 0.0000 51875.9862 -109579.8915 298.1320 -161455.8777 -109218.2696 298.5297 -121.5094 -85.1568 761988.5774 2.3767 2.5490 PRESSURE: 2729000 106.038 -252.258 173.298 -252.258 -24.9778 -27.1017 173.298 -27.1015 -258.681 GPRESSURE: 2729000 126.272 -139.534 147.69 -89.6836 -44.7695 -138.242 75.4611 24.9749 -163.328 PRESSAVG: 2729000 29.1933 -53.3642 45.7658 -53.3641 -27.6295 40.1645 45.7659 40.1645 1.40212 GPRESSAVG: 2729000 29.2486 -51.915 44.0816 -51.2601 -27.9202 38.3435 45.114 39.8884 1.74257 TIMING: 2729000 CPU: 8522.64, 0.00316731/step Wall: 8522.64, 0.00316731/step, 1.99805 hours remaining, 233.031250 MB of memory in use. ENERGY: 2729000 3956.9574 20446.8260 14468.4919 232.1233 -203060.0384 2668.3066 0.0000 0.0000 51761.8188 -109525.5145 297.4759 -161287.3332 -109166.6141 298.4177 -59.2069 -27.2753 762057.9312 0.9886 1.0236 PRESSURE: 2729200 136.354 1.17451 -29.8206 1.17482 -355.743 -75.2507 -29.8198 -75.2506 380.047 GPRESSURE: 2729200 90.2127 34.1502 -70.7502 -98.4469 -273.291 -84.9553 -48.8361 -134.358 402.251 PRESSAVG: 2729200 40.8189 -51.4608 -15.8914 -51.4607 -15.0817 -56.8795 -15.8914 -56.8795 18.9853 GPRESSAVG: 2729200 39.5748 -51.1708 -17.874 -51.6119 -14.5764 -53.4456 -14.7474 -58.3493 19.1165 TIMING: 2729200 CPU: 8523.27, 0.00314484/step Wall: 8523.27, 0.00314484/step, 1.98369 hours remaining, 233.031250 MB of memory in use. ENERGY: 2729200 3934.8852 20507.5860 14495.6038 242.2478 -203652.8020 2900.7259 0.0000 0.0000 52093.6721 -109478.0812 299.3830 -161571.7533 -109124.3937 299.1831 53.5527 73.0576 761157.7115 14.9075 14.7050 PRESSURE: 2729400 369.854 264.681 174.178 264.68 363.145 -32.2985 174.18 -32.2974 -151.705 GPRESSURE: 2729400 417.52 267.003 208.349 206.679 379.559 22.3327 79.5439 -8.80368 -118.094 PRESSAVG: 2729400 57.1743 28.7413 -18.2942 28.7413 -42.1114 -2.6799 -18.2941 -2.67998 -1.18945 GPRESSAVG: 2729400 58.6538 26.7944 -18.6703 28.5891 -43.2458 -2.25064 -17.3926 -1.61771 -1.21984 TIMING: 2729400 CPU: 8523.9, 0.00315985/step Wall: 8523.9, 0.00315985/step, 1.99299 hours remaining, 233.031250 MB of memory in use. ENERGY: 2729400 3972.9152 20595.6500 14556.3872 235.3150 -203404.1252 2825.1469 0.0000 0.0000 51793.1939 -109425.5170 297.6562 -161218.7109 -109078.4726 298.5189 193.7645 226.3284 761855.5650 4.6245 4.7294 PRESSURE: 2729600 285.488 -21.6476 -117.245 -21.6475 54.652 -159.746 -117.245 -159.747 -240.761 GPRESSURE: 2729600 317.511 -13.0299 -97.6104 -56.4459 81.2982 -166.345 -141.673 -133.866 -204.988 PRESSAVG: 2729600 13.7439 8.20847 25.2599 8.20855 -5.03102 8.32826 25.2599 8.32826 -0.523123 GPRESSAVG: 2729600 14.393 8.46084 26.0958 7.76787 -4.11669 6.4697 23.8381 9.38546 -1.70602 TIMING: 2729600 CPU: 8524.53, 0.00312759/step Wall: 8524.53, 0.00312759/step, 1.97246 hours remaining, 233.031250 MB of memory in use. ENERGY: 2729600 3958.6088 20513.7156 14527.0598 262.3570 -203198.6795 2697.4208 0.0000 0.0000 51863.5650 -109375.9524 298.0606 -161239.5174 -109026.0290 299.0654 33.1261 64.6073 760800.6304 2.7299 2.8568 PRESSURE: 2729800 -135.796 -60.7343 -138.994 -60.7347 -313.191 238.923 -138.994 238.924 -15.4603 GPRESSURE: 2729800 -105.628 -63.0564 -141.343 -42.2844 -326.39 256.991 -105.044 92.024 48.5544 PRESSAVG: 2729800 10.2204 -20.3864 9.44203 -20.3863 19.4984 -35.3961 9.44197 -35.3961 -0.753778 GPRESSAVG: 2729800 8.34302 -19.0814 10.2086 -20.6213 19.9946 -33.5997 9.96054 -36.3867 1.16396 TIMING: 2729800 CPU: 8525.15, 0.00312088/step Wall: 8525.15, 0.00312088/step, 1.96806 hours remaining, 233.031250 MB of memory in use. ENERGY: 2729800 4025.5629 20438.4283 14451.6536 250.0332 -202922.4870 2406.5224 0.0000 0.0000 51969.7251 -109380.5615 298.6707 -161350.2866 -109013.3519 298.6303 -154.8157 -127.8214 763025.6158 9.6550 9.8339 PRESSURE: 2730000 36.5197 115.579 82.9757 115.58 -595.189 -44.4735 82.9757 -44.4729 -390.505 GPRESSURE: 2730000 -38.5833 53.6244 45.3823 59.1712 -411.587 -17.1993 205.023 19.8654 -415.591 PRESSAVG: 2730000 10.4687 -51.4315 33.6434 -51.4316 -53.7817 -22.9962 33.6435 -22.9962 -27.1225 GPRESSAVG: 2730000 11.2125 -53.0177 31.3277 -50.1996 -53.6817 -25.1156 36.3987 -23.1722 -27.7191 TIMING: 2730000 CPU: 8525.78, 0.00315088/step Wall: 8525.78, 0.00315088/step, 1.98681 hours remaining, 233.031250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2730000 3983.4984 20354.7889 14456.9333 257.9482 -202870.8984 2602.9088 0.0000 0.0000 51714.3514 -109500.4695 297.2031 -161214.8208 -109145.2372 298.1476 -316.3915 -288.5873 764172.4404 -23.4785 -23.3961 PRESSURE: 2730200 -381.324 19.5351 -18.6784 19.5361 -116.915 -85.555 -18.6784 -85.5553 41.7397 GPRESSURE: 2730200 -288.682 68.9569 -32.3052 -39.9913 -128.92 -163.016 27.3237 -13.1275 52.0139 PRESSAVG: 2730200 37.7063 -27.8942 48.7183 -27.8941 -33.4334 -23.6965 48.7183 -23.6965 -7.0017 GPRESSAVG: 2730200 36.979 -28.262 50.2642 -27.7172 -33.2824 -24.024 47.6395 -22.4837 -6.45852 TIMING: 2730200 CPU: 8526.41, 0.00314172/step Wall: 8526.41, 0.00314172/step, 1.98086 hours remaining, 233.031250 MB of memory in use. ENERGY: 2730200 3982.8497 20426.9189 14516.8986 245.6896 -203239.5672 2736.9725 0.0000 0.0000 51878.9256 -109451.3124 298.1489 -161330.2380 -109088.9111 298.3846 -152.1666 -121.8628 762360.9300 -0.9096 -0.9207 PRESSURE: 2730400 -135.66 -101.994 -193.965 -101.993 130.417 -132.924 -193.964 -132.924 26.1314 GPRESSURE: 2730400 -31.6701 -103.331 -191.056 -128.136 138.238 -176.835 -205 -125.751 11.3199 PRESSAVG: 2730400 49.1536 -75.1287 -1.53217 -75.1286 -21.7075 -14.2715 -1.53218 -14.2715 9.43522 GPRESSAVG: 2730400 51.3973 -73.8791 -0.186738 -74.8345 -22.9978 -13.9796 -0.437014 -14.0862 8.26219 TIMING: 2730400 CPU: 8527.04, 0.00315896/step Wall: 8527.04, 0.00315896/step, 1.99155 hours remaining, 233.031250 MB of memory in use. ENERGY: 2730400 3916.0244 20285.5012 14471.3115 250.3677 -203466.0919 2863.7079 0.0000 0.0000 52282.8567 -109396.3224 300.4703 -161679.1791 -109034.6027 298.9451 6.9626 39.2960 762455.9439 12.2938 12.2206 PRESSURE: 2730600 -225.581 -252.424 -46.3966 -252.424 159.756 86.5288 -46.3973 86.5299 20.6368 GPRESSURE: 2730600 -121.675 -180.785 -114.302 -198.914 78.4698 133.571 -26.139 34.9133 88.1089 PRESSAVG: 2730600 16.5161 -45.6305 -9.82301 -45.6305 8.13349 25.7335 -9.82298 25.7335 7.75205 GPRESSAVG: 2730600 16.733 -42.8827 -10.9581 -46.3359 8.68379 27.7145 -11.1507 23.2864 6.82264 TIMING: 2730600 CPU: 8527.67, 0.00313578/step Wall: 8527.67, 0.00313578/step, 1.97676 hours remaining, 233.031250 MB of memory in use. ENERGY: 2730600 3950.6248 20488.2428 14390.5404 244.8591 -203243.6326 2752.3748 0.0000 0.0000 52026.5027 -109390.4881 298.9970 -161416.9907 -109029.8398 298.8153 -15.0624 14.9677 762502.2633 10.8006 10.7465 PRESSURE: 2730800 204.305 51.8942 50.2465 51.8949 -91.1777 -6.81539 50.2467 -6.81593 -47.2639 GPRESSURE: 2730800 166.631 22.7668 72.3055 149.136 37.4915 6.99098 -21.7534 4.04172 -63.2193 PRESSAVG: 2730800 106.215 -76.905 61.4524 -76.905 -41.8443 -24.7572 61.4524 -24.7572 -6.74999 GPRESSAVG: 2730800 105.331 -79.095 62.056 -75.5908 -42.1642 -25.1997 60.1017 -24.8215 -6.18608 TIMING: 2730800 CPU: 8528.29, 0.00311541/step Wall: 8528.29, 0.00311542/step, 1.96375 hours remaining, 233.031250 MB of memory in use. ENERGY: 2730800 3850.8309 20342.5791 14507.3240 247.5800 -203037.7235 2815.1166 0.0000 0.0000 52043.1252 -109231.1677 299.0926 -161274.2930 -108869.4807 298.8275 21.9544 46.9676 765293.2284 19.2071 18.9937 PRESSURE: 2731000 220.24 -221.787 39.8919 -221.786 -87.4389 189.905 39.8914 189.905 -269.294 GPRESSURE: 2731000 222.51 -127.86 45.0422 -302.742 -72.356 250.494 28.3538 148.356 -202.449 PRESSAVG: 2731000 35.0381 -50.1806 50.7464 -50.1806 -35.2854 6.45191 50.7463 6.45191 18.0135 GPRESSAVG: 2731000 33.6439 -49.1416 50.7491 -51.4725 -33.9013 5.63585 50.5478 8.77004 17.7055 TIMING: 2731000 CPU: 8528.92, 0.00312343/step Wall: 8528.92, 0.00312343/step, 1.96863 hours remaining, 233.031250 MB of memory in use. ENERGY: 2731000 3960.1860 20447.5010 14436.7037 246.3547 -203218.6512 2837.3628 0.0000 0.0000 51953.3623 -109337.1807 298.5767 -161290.5430 -108979.5237 298.6920 -45.4974 -17.4317 761743.3798 5.9221 5.8160 PRESSURE: 2731200 -157.559 -78.4828 22.0691 -78.4829 -159.941 134.585 22.0684 134.585 -42.0879 GPRESSURE: 2731200 -38.9817 -87.9267 13.313 2.4963 -208.323 14.3324 39.9018 172.645 -32.6395 PRESSAVG: 2731200 -37.6261 -42.0333 6.48607 -42.0332 66.9999 21.4792 6.48602 21.4791 3.889 GPRESSAVG: 2731200 -36.5575 -40.3796 6.00824 -42.0149 66.7623 21.3453 8.93571 20.9074 3.96436 TIMING: 2731200 CPU: 8529.54, 0.00313132/step Wall: 8529.54, 0.00313132/step, 1.97343 hours remaining, 233.031250 MB of memory in use. ENERGY: 2731200 4052.5538 20396.7827 14452.2520 247.3280 -202934.2065 2471.1817 0.0000 0.0000 52086.4914 -109227.6169 299.3418 -161314.1083 -108865.4987 299.0069 -119.8623 -93.3147 762261.4993 11.0876 11.3897 PRESSURE: 2731400 97.5738 104.986 -50.4717 104.986 -29.3848 -69.6748 -50.4727 -69.6742 97.1762 GPRESSURE: 2731400 69.9069 1.41796 -81.1013 31.2671 96.1217 -63.3921 -66.1873 -230.364 89.5702 PRESSAVG: 2731400 -27.1314 -63.8035 55.1787 -63.8036 13.7262 -1.98743 55.1787 -1.98746 1.31047 GPRESSAVG: 2731400 -27.8133 -63.8736 54.571 -64.299 12.1319 -2.33727 54.1434 -3.86704 3.45994 TIMING: 2731400 CPU: 8530.17, 0.00313847/step Wall: 8530.17, 0.00313847/step, 1.97776 hours remaining, 233.031250 MB of memory in use. ENERGY: 2731400 3870.5515 20715.6173 14410.0676 256.5001 -202969.4618 2365.7195 0.0000 0.0000 52057.0637 -109293.9420 299.1727 -161351.0057 -108934.0387 299.2407 55.1217 85.1996 761463.3043 -4.0316 -4.0738 PRESSURE: 2731600 -324.959 -73.1175 65.2549 -73.1175 14.9221 3.3683 65.2541 3.36934 269.867 GPRESSURE: 2731600 -306.294 -6.09407 11.5809 -52.3373 48.0253 -13.9229 84.8006 -79.4545 296.837 PRESSAVG: 2731600 -26.0747 -40.7358 63.9162 -40.7358 83.0748 -75.1801 63.9162 -75.1801 -24.4434 GPRESSAVG: 2731600 -26.7608 -44.387 63.924 -39.6911 85.0516 -74.5576 63.9506 -73.953 -25.6331 TIMING: 2731600 CPU: 8530.81, 0.00317068/step Wall: 8530.81, 0.00317068/step, 1.99788 hours remaining, 233.031250 MB of memory in use. ENERGY: 2731600 4002.8636 20594.5170 14435.7324 264.0912 -203153.3461 2515.1247 0.0000 0.0000 52036.8970 -109304.1201 299.0568 -161341.0171 -108955.0889 299.7172 -13.3899 12.8561 760521.4253 10.8522 10.8859 PRESSURE: 2731800 -119.874 -42.4207 371.275 -42.4216 -332.673 -187.06 371.275 -187.059 -553.72 GPRESSURE: 2731800 -182.627 -51.6898 471.592 -4.71756 -327.656 -161.559 366.01 -118.208 -394.847 PRESSAVG: 2731800 48.044 -12.6929 56.9029 -12.6929 -56.2768 -1.94077 56.903 -1.9407 3.61605 GPRESSAVG: 2731800 47.2426 -10.0858 57.184 -11.655 -56.1406 -1.35521 56.0033 -2.49834 4.41796 TIMING: 2731800 CPU: 8531.44, 0.00315361/step Wall: 8531.44, 0.00315361/step, 1.98695 hours remaining, 233.031250 MB of memory in use. ENERGY: 2731800 4077.8931 20516.1385 14511.2120 265.3395 -202879.1017 2421.2560 0.0000 0.0000 51775.4542 -109311.8084 297.5542 -161087.2626 -108960.9424 299.2731 -335.4224 -301.7102 761342.6424 -1.5389 -1.4934 PRESSURE: 2732000 -38.6858 221.921 -57.6221 221.92 160.178 134.711 -57.6217 134.713 284.227 GPRESSURE: 2732000 80.1546 165.326 -92.0564 157.547 99.6442 175.771 -126.13 70.9088 306.385 PRESSAVG: 2732000 32.0437 -39.6814 54.7565 -39.6814 -57.5166 -63.4757 54.7565 -63.4756 -12.6553 GPRESSAVG: 2732000 33.8889 -41.8325 53.637 -40.5366 -59.3313 -64.9253 57.8726 -63.4888 -12.9877 TIMING: 2732000 CPU: 8532.06, 0.0031383/step Wall: 8532.06, 0.0031383/step, 1.97713 hours remaining, 233.031250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2732000 3934.8570 20518.3551 14502.3232 275.7492 -203473.4170 3030.4213 0.0000 0.0000 51850.1549 -109361.5565 297.9836 -161211.7114 -109008.3857 299.0822 135.2397 162.0613 761333.7466 -12.7094 -12.8100 PRESSURE: 2732200 -64.9591 -69.1683 -2.93528 -69.1684 153.078 -262.752 -2.93578 -262.752 -141.064 GPRESSURE: 2732200 -75.972 -204.67 119.493 -0.475961 170.744 -177.906 -116.416 -279.758 -90.4211 PRESSAVG: 2732200 2.56631 -43.3561 28.9805 -43.3561 -19.2136 -29.9652 28.9806 -29.9652 -5.03942 GPRESSAVG: 2732200 2.40946 -42.0165 29.4089 -43.4164 -18.7903 -28.8301 27.4767 -30.7806 -5.33431 TIMING: 2732200 CPU: 8532.69, 0.00312827/step Wall: 8532.69, 0.00312827/step, 1.97064 hours remaining, 233.031250 MB of memory in use. ENERGY: 2732200 4032.7716 20578.4052 14466.3352 253.4277 -203037.4580 2497.5681 0.0000 0.0000 51908.8881 -109300.0621 298.3211 -161208.9502 -108945.5381 299.1176 -17.6484 1.4501 761676.0550 -7.2289 -7.2384 LDB: ============= START OF LOAD BALANCING ============== 8545.17 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8545.17 LDB: =============== DONE WITH MIGRATION ================ 8545.17 LDB: ============= START OF LOAD BALANCING ============== 8545.49 LDB: Largest compute 7064 load 0.030819 is 15.8% of average load 0.195122 LDB: Average compute 0.004380 is 2.2% of average load 0.195122 LDB: TIME 8545.49 LOAD: AVG 0.195122 MAX 0.217837 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.543 MB LDB: TIME 8545.49 LOAD: AVG 0.195122 MAX 0.217837 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.543 MB LDB: TIME 8545.49 LOAD: AVG 0.195122 MAX 0.2177 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.543 MB LDB: ============== END OF LOAD BALANCING =============== 8545.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8545.5 PRESSURE: 2732400 113.958 -69.9313 106.793 -69.9304 -250.309 -216.852 106.793 -216.852 -160.498 GPRESSURE: 2732400 192.691 -52.0405 180.526 5.70571 -183.878 -214.852 13.0653 -137.308 -223.895 PRESSAVG: 2732400 5.08095 -22.557 -0.768549 -22.5569 -4.85358 -46.4927 -0.768542 -46.4927 1.48236 GPRESSAVG: 2732400 3.68398 -22.2953 1.00843 -22.5848 -4.69104 -45.2277 0.71598 -45.4595 2.67903 TIMING: 2732400 CPU: 8533.33, 0.0032044/step Wall: 8533.33, 0.0032044/step, 2.01841 hours remaining, 234.828125 MB of memory in use. ENERGY: 2732400 3962.3243 20576.7894 14463.2404 234.7269 -203099.0402 2545.7356 0.0000 0.0000 51817.5080 -109498.7155 297.7959 -161316.2236 -109132.6079 298.8670 -98.9498 -71.6938 762451.5958 0.5699 0.5573 PRESSURE: 2732600 -68.6074 -68.854 13.4749 -68.8535 -206.261 198.245 13.4751 198.245 28.9912 GPRESSURE: 2732600 -112.198 19.175 -50.127 -30.0306 -166.072 124.14 19.959 145.891 124.278 PRESSAVG: 2732600 36.5602 -9.07222 6.59471 -9.07222 -29.4537 1.78314 6.59463 1.78317 14.411 GPRESSAVG: 2732600 37.3979 -8.40057 5.57135 -8.88314 -28.8645 -0.221929 5.4133 2.78025 12.9864 TIMING: 2732600 CPU: 8533.97, 0.00319292/step Wall: 8533.97, 0.00319292/step, 2.01101 hours remaining, 234.828125 MB of memory in use. ENERGY: 2732600 3999.5844 20498.2112 14452.3664 241.4171 -202791.7450 2532.3227 0.0000 0.0000 51850.2388 -109217.6045 297.9840 -161067.8433 -108855.0829 298.3302 -81.9592 -51.3306 762269.7227 7.1725 7.1733 PRESSURE: 2732800 105.839 117.768 46.7175 117.768 -174.677 97.2629 46.7187 97.2621 -603.216 GPRESSURE: 2732800 141.632 -70.4666 6.10439 22.733 -198.895 62.8258 189.241 -0.94858 -532.732 PRESSAVG: 2732800 36.3763 -54.4677 26.8793 -54.4677 -26.5656 4.10915 26.8793 4.10912 9.3075 GPRESSAVG: 2732800 35.5772 -56.0942 27.4927 -52.3741 -26.8201 4.5692 25.8444 2.52741 9.74968 TIMING: 2732800 CPU: 8534.6, 0.00317384/step Wall: 8534.6, 0.00317384/step, 1.99881 hours remaining, 234.828125 MB of memory in use. ENERGY: 2732800 4015.7077 20467.4754 14429.4877 236.8347 -202886.7964 2441.2737 0.0000 0.0000 52149.2399 -109146.7772 299.7024 -161296.0171 -108783.0177 299.0777 -224.0182 -196.6650 763794.9716 6.3728 6.1689 PRESSURE: 2733000 -16.175 37.279 102.762 37.2793 -133.867 -154.048 102.762 -154.049 -165.831 GPRESSURE: 2733000 58.738 114.835 40.5038 19.4656 -103.441 -152.827 168.5 -269.544 -173.205 PRESSAVG: 2733000 -42.4473 -5.44491 -15.4078 -5.44489 48.0944 -25.3675 -15.4077 -25.3675 18.3665 GPRESSAVG: 2733000 -41.0214 -6.47513 -15.9034 -6.15692 46.2307 -25.6979 -15.2944 -28.4888 19.4411 TIMING: 2733000 CPU: 8535.23, 0.0031427/step Wall: 8535.23, 0.0031427/step, 1.97903 hours remaining, 234.828125 MB of memory in use. ENERGY: 2733000 4113.8680 20616.3863 14478.8582 239.6157 -202923.1610 2495.7461 0.0000 0.0000 51988.4330 -108990.2538 298.7782 -160978.6868 -108629.6937 299.7955 -105.2909 -72.6360 763017.7771 8.0045 8.2168 PRESSURE: 2733200 -218.97 -323.098 74.5272 -323.098 125.358 211.912 74.5276 211.912 -170.861 GPRESSURE: 2733200 -223.798 -331.595 150.141 -225.958 221.24 230.823 25.9418 151.273 -203.547 PRESSAVG: 2733200 15.0382 1.13117 -5.9179 1.13121 -26.0795 -4.18342 -5.91781 -4.18339 12.2153 GPRESSAVG: 2733200 15.1695 2.26229 -5.53645 0.584334 -25.7344 -4.75388 -4.60689 0.177266 11.4614 TIMING: 2733200 CPU: 8535.86, 0.00314277/step Wall: 8535.86, 0.00314277/step, 1.9789 hours remaining, 234.828125 MB of memory in use. ENERGY: 2733200 3996.8273 20701.1644 14516.4118 254.6718 -202848.0368 2487.4827 0.0000 0.0000 52080.5229 -108810.9559 299.3075 -160891.4788 -108446.6964 300.0777 -88.1576 -68.7018 763131.1696 0.3913 0.2989 PRESSURE: 2733400 -189.266 -20.0905 -221.567 -20.0905 -146.574 -118.126 -221.566 -118.126 -308.378 GPRESSURE: 2733400 -84.0193 -83.2993 -162.009 -25.1815 -143.76 -123.14 -101.617 -99.9352 -305.916 PRESSAVG: 2733400 4.11008 -45.0171 35.8063 -45.0171 9.43759 -51.32 35.8063 -51.3201 28.3444 GPRESSAVG: 2733400 4.97261 -45.153 36.9655 -44.3211 10.1923 -50.2172 34.6783 -54.0459 26.464 TIMING: 2733400 CPU: 8536.5, 0.00317397/step Wall: 8536.5, 0.00317397/step, 1.99836 hours remaining, 234.828125 MB of memory in use. ENERGY: 2733400 4087.0725 20435.3203 14495.6001 258.3193 -202927.2149 2655.9479 0.0000 0.0000 52209.2191 -108785.7357 300.0471 -160994.9548 -108423.2974 300.4121 -214.7392 -177.8982 762392.0986 13.9640 13.8763 PRESSURE: 2733600 327.681 -205.58 122.63 -205.579 200.258 241.253 122.63 241.253 503.181 GPRESSURE: 2733600 212.774 -189.869 131.838 -284.612 385.748 117.148 223.681 303.395 515.834 PRESSAVG: 2733600 -60.0719 25.3531 13.6687 25.3531 70.3861 11.4898 13.6687 11.4898 -11.5521 GPRESSAVG: 2733600 -61.3114 27.6622 12.8933 25.8794 70.6641 11.2091 13.6062 12.2735 -10.2698 TIMING: 2733600 CPU: 8537.13, 0.0031471/step Wall: 8537.13, 0.0031471/step, 1.98128 hours remaining, 234.828125 MB of memory in use. ENERGY: 2733600 4001.7276 20512.1369 14480.3201 224.9969 -203541.7555 3332.7507 0.0000 0.0000 52115.9050 -108873.9183 299.5108 -160989.8233 -108512.7512 300.0016 343.7069 371.4519 763523.2462 -0.4127 -0.3057 PRESSURE: 2733800 -331.161 136.075 -193.353 136.075 176.186 12.8741 -193.352 12.8736 -210.862 GPRESSURE: 2733800 -238.722 94.3417 -214.742 218.318 180.935 -42.3128 -241.725 -78.5709 -224.779 PRESSAVG: 2733800 10.6496 -47.6499 -24.7189 -47.6499 -24.2351 -13.4547 -24.7189 -13.4548 -19.5519 GPRESSAVG: 2733800 10.1047 -46.9816 -24.1522 -49.0498 -24.8404 -14.2072 -24.7768 -13.482 -18.3295 TIMING: 2733800 CPU: 8537.75, 0.00313554/step Wall: 8537.75, 0.00313554/step, 1.97382 hours remaining, 234.828125 MB of memory in use. ENERGY: 2733800 4036.9930 20466.0037 14478.8007 252.6885 -203101.0658 2729.7382 0.0000 0.0000 52256.6296 -108880.2122 300.3196 -161136.8417 -108516.0288 300.1406 -121.9457 -94.1884 764736.3202 -11.0458 -11.0217 PRESSURE: 2734000 79.4586 227.801 -86.1289 227.802 -60.3197 -157.524 -86.1288 -157.523 328.785 GPRESSURE: 2734000 139.071 184.296 14.303 268.15 -12.2012 -113.389 -91.0509 -140.941 310.54 PRESSAVG: 2734000 23.9726 -37.8457 -10.6099 -37.8457 20.6266 35.227 -10.6099 35.227 -2.28969 GPRESSAVG: 2734000 24.1533 -40.2305 -10.7298 -36.483 22.0704 36.7753 -11.8064 34.8977 -3.482 TIMING: 2734000 CPU: 8538.38, 0.00314812/step Wall: 8538.38, 0.00314812/step, 1.98157 hours remaining, 234.828125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2734000 4007.1792 20660.0436 14468.2789 252.8202 -203417.5730 2996.9276 0.0000 0.0000 52068.5019 -108963.8216 299.2384 -161032.3234 -108610.8568 300.0496 115.9747 145.8033 762638.8877 14.1032 14.2472 PRESSURE: 2734200 -91.2962 31.1369 33.6697 31.136 -290.268 223.098 33.6692 223.098 -139.472 GPRESSURE: 2734200 -67.4076 20.1911 44.4663 -11.2894 -207.095 208.617 -41.0271 198.753 -147.933 PRESSAVG: 2734200 8.76147 19.3568 17.761 19.3568 37.5988 -19.3185 17.7609 -19.3185 0.896103 GPRESSAVG: 2734200 9.167 20.8195 17.474 18.7627 37.1001 -21.4378 18.1376 -18.0735 1.19266 TIMING: 2734200 CPU: 8539.01, 0.00312557/step Wall: 8539.01, 0.00312558/step, 1.9672 hours remaining, 234.828125 MB of memory in use. ENERGY: 2734200 3856.8166 20439.2793 14522.9096 235.2625 -203348.6300 2674.8803 0.0000 0.0000 52329.9763 -109289.5055 300.7411 -161619.4817 -108913.9358 299.8199 -173.6788 -140.8116 762055.7619 15.7521 15.8199 PRESSURE: 2734400 3.20699 -105.228 -2.31879 -105.228 124.998 154.55 -2.31807 154.549 471.028 GPRESSURE: 2734400 -34.9319 -164.43 80.5065 -130.158 148.959 112.282 20.2889 -33.8809 585.63 PRESSAVG: 2734400 13.2549 -10.5833 5.45585 -10.5834 -29.1494 16.905 5.4559 16.9049 -32.3906 GPRESSAVG: 2734400 14.096 -13.0995 5.13252 -9.18969 -28.7791 16.1519 6.58581 16.6692 -33.1223 TIMING: 2734400 CPU: 8539.63, 0.00313467/step Wall: 8539.63, 0.00313467/step, 1.97275 hours remaining, 234.828125 MB of memory in use. ENERGY: 2734400 3960.8370 20455.0259 14497.0677 224.8159 -203049.1122 2557.2062 0.0000 0.0000 51970.9302 -109383.2294 298.6776 -161354.1596 -109024.3986 299.1649 199.7443 233.2193 762647.3149 -16.0950 -15.9351 PRESSURE: 2734600 39.0945 -114.01 -185.253 -114.008 241.56 42.8558 -185.253 42.8565 166.584 GPRESSURE: 2734600 93.4128 -65.4736 -143.744 -138.853 254.723 -22.2836 -96.8669 -29.88 174.82 PRESSAVG: 2734600 25.0659 -31.3586 0.278045 -31.3587 -68.5024 -63.842 0.278047 -63.842 12.489 GPRESSAVG: 2734600 24.7356 -30.5257 0.186278 -31.3019 -68.6709 -62.7274 -0.530647 -64.0424 13.0632 TIMING: 2734600 CPU: 8540.26, 0.00313338/step Wall: 8540.26, 0.00313338/step, 1.97177 hours remaining, 234.828125 MB of memory in use. ENERGY: 2734600 3901.4671 20464.1721 14550.9253 251.6208 -203737.6970 2916.1682 0.0000 0.0000 52079.5887 -109573.7547 299.3021 -161653.3435 -109214.5608 298.6473 149.0796 174.3186 760251.5724 -10.3158 -10.2907 PRESSURE: 2734800 -219.801 41.9105 -112.289 41.9099 20.2102 173.09 -112.291 173.09 -127.668 GPRESSURE: 2734800 -85.4724 168.561 -237.405 -56.3197 10.576 153.487 38.1516 246.749 -170.323 PRESSAVG: 2734800 -49.4698 1.50996 -16.4119 1.50993 52.0476 36.6663 -16.4118 36.6663 -20.8635 GPRESSAVG: 2734800 -49.6773 2.85443 -15.5507 0.829456 52.5953 38.0469 -15.9966 34.6816 -21.0828 TIMING: 2734800 CPU: 8540.88, 0.00310436/step Wall: 8540.88, 0.00310436/step, 1.95333 hours remaining, 234.828125 MB of memory in use. ENERGY: 2734800 4033.1684 20403.4041 14418.7634 232.4470 -203608.5726 2824.7289 0.0000 0.0000 51941.6607 -109754.4000 298.5094 -161696.0608 -109397.6546 298.2552 -109.0863 -81.7397 760436.6299 -6.0952 -6.0550 PRESSURE: 2735000 6.47149 -76.8914 200.266 -76.8908 -16.5072 -31.7722 200.266 -31.7727 -22.9169 GPRESSURE: 2735000 65.5073 -112.729 198.357 -9.59082 3.49784 -91.7768 99.1575 66.8393 -24.8716 PRESSAVG: 2735000 21.9573 -37.702 -10.1888 -37.702 -18.018 3.19771 -10.1888 3.19768 -15.7202 GPRESSAVG: 2735000 22.3753 -38.8309 -11.281 -38.1924 -19.2928 1.3927 -8.64453 6.26681 -15.0187 TIMING: 2735000 CPU: 8541.5, 0.00310668/step Wall: 8541.5, 0.00310668/step, 1.95462 hours remaining, 234.828125 MB of memory in use. ENERGY: 2735000 4037.3094 20630.6938 14450.7043 254.8931 -203371.8116 2618.8568 0.0000 0.0000 51683.5736 -109695.7807 297.0262 -161379.3542 -109342.6955 298.3681 -10.9842 14.7112 762124.1029 -3.9270 -3.9787 PRESSURE: 2735200 -114.775 -51.5746 88.8174 -51.575 -253.946 82.8662 88.8181 82.8653 -221.973 GPRESSURE: 2735200 -129.899 117.738 137.293 -48.0962 -185.84 66.5294 -50.0186 39.7652 -206.669 PRESSAVG: 2735200 49.4328 -24.1728 -13.4996 -24.1727 5.80196 -7.07258 -13.4996 -7.07253 5.88948 GPRESSAVG: 2735200 48.404 -24.2167 -13.123 -25.0227 7.94694 -7.51168 -18.3331 -9.12492 4.83004 TIMING: 2735200 CPU: 8542.13, 0.00311123/step Wall: 8542.13, 0.00311123/step, 1.95731 hours remaining, 234.828125 MB of memory in use. ENERGY: 2735200 3995.8417 20547.9026 14516.7468 239.1879 -202773.4610 2076.5808 0.0000 0.0000 52024.5957 -109372.6054 298.9861 -161397.2011 -109003.4273 298.7721 -196.8982 -174.1361 762771.5312 20.3747 20.3936 PRESSURE: 2735400 -144.798 98.602 -155.893 98.602 -169.271 247.761 -155.892 247.761 -51.075 GPRESSURE: 2735400 -127.765 143.499 -208.896 56.1359 -90.7768 360.284 -149.403 293.009 -77.6501 PRESSAVG: 2735400 -28.8976 -35.1552 -17.7816 -35.1552 9.51344 10.2473 -17.7816 10.2473 2.28605 GPRESSAVG: 2735400 -28.7151 -34.3715 -18.4507 -34.2096 7.7058 12.5096 -16.0455 8.80644 3.41354 TIMING: 2735400 CPU: 8542.75, 0.00311548/step Wall: 8542.75, 0.00311548/step, 1.95981 hours remaining, 234.828125 MB of memory in use. ENERGY: 2735400 3970.1928 20523.4066 14418.5520 260.2735 -203425.5931 2788.9690 0.0000 0.0000 52041.1412 -109423.0580 299.0812 -161464.1991 -109047.8719 299.3909 -121.7147 -98.7308 762222.2051 -5.6994 -5.8653 PRESSURE: 2735600 -189.761 69.4975 18.2007 69.4976 -152.462 -207.021 18.2002 -207.022 316.218 GPRESSURE: 2735600 -142.773 89.8564 -11.3706 -94.572 -90.9535 -167.714 51.0542 -235.521 284.992 PRESSAVG: 2735600 30.1509 -1.01493 -20.2675 -1.01489 -41.8026 9.28047 -20.2675 9.28042 -25.0516 GPRESSAVG: 2735600 30.1975 -0.409816 -21.1775 -2.86462 -40.1705 8.58668 -19.1958 11.4058 -26.4601 TIMING: 2735600 CPU: 8543.37, 0.00312124/step Wall: 8543.37, 0.00312124/step, 1.96326 hours remaining, 234.828125 MB of memory in use. ENERGY: 2735600 4025.0394 20786.5354 14559.7428 239.2280 -203501.4290 2458.8585 0.0000 0.0000 52022.9388 -109409.0862 298.9765 -161432.0250 -109054.6210 299.1958 -8.6685 17.0886 760112.0943 -12.2344 -12.1444 PRESSURE: 2735800 -267.433 116.602 155.825 116.603 233.968 -92.9352 155.826 -92.9353 -485.518 GPRESSURE: 2735800 -189.564 76.733 141.359 -57.5672 181.221 -96.8171 116.018 -8.70763 -439.749 PRESSAVG: 2735800 -33.4521 -27.0662 24.8464 -27.0662 8.66994 12.0197 24.8464 12.0197 -6.7306 GPRESSAVG: 2735800 -33.3591 -28.818 27.0378 -26.1301 7.79368 12.5315 24.291 13.8342 -6.25843 TIMING: 2735800 CPU: 8544, 0.00312284/step Wall: 8544, 0.00312284/step, 1.96409 hours remaining, 234.828125 MB of memory in use. ENERGY: 2735800 4016.6797 20509.9486 14515.2595 256.9296 -203133.1424 2404.0711 0.0000 0.0000 52054.3190 -109375.9348 299.1569 -161430.2538 -109013.3431 299.1599 -172.9943 -149.3640 760438.5967 -10.5043 -10.6080 PRESSURE: 2736000 -258.78 -189.473 202.145 -189.473 -208.155 128.933 202.145 128.933 -146.569 GPRESSURE: 2736000 -188.343 -89.5884 205.028 -52.0868 -194.434 151.033 199.602 60.1111 -144.323 PRESSAVG: 2736000 -9.85172 -51.9543 72.731 -51.9543 -23.232 64.9498 72.7311 64.9497 2.22167 GPRESSAVG: 2736000 -7.53116 -51.3574 70.8831 -50.8883 -25.3352 65.0536 70.0945 61.0834 2.07715 TIMING: 2736000 CPU: 8544.62, 0.00311646/step Wall: 8544.62, 0.00311646/step, 1.95991 hours remaining, 234.828125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2736000 4001.0696 20534.1292 14508.9745 252.7225 -202994.7997 2150.2291 0.0000 0.0000 52081.1457 -109466.5291 299.3111 -161547.6748 -109097.4181 299.0770 -204.5012 -175.6999 763119.3450 -10.2873 -10.2631 PRESSURE: 2736200 -152.892 -131.866 234.545 -131.866 -437.817 143.927 234.545 143.927 -577.457 GPRESSURE: 2736200 -201.422 13.7895 207.071 21.2003 -395.298 211.405 237.747 79.1281 -468.986 PRESSAVG: 2736200 -11.353 -10.7639 -32.1177 -10.7639 16.9339 26.9401 -32.1177 26.9401 -0.491306 GPRESSAVG: 2736200 -13.253 -11.2952 -32.0918 -9.68003 18.8791 25.3086 -29.6488 30.6734 -0.495929 TIMING: 2736200 CPU: 8545.24, 0.00311911/step Wall: 8545.24, 0.00311911/step, 1.9614 hours remaining, 234.828125 MB of memory in use. ENERGY: 2736200 4050.2189 20567.1986 14446.1593 246.7044 -203243.8667 2531.5637 0.0000 0.0000 51992.8278 -109409.1940 298.8035 -161402.0218 -109045.3714 298.5535 -389.3889 -355.2356 762475.2115 1.6965 1.7101 LDB: ============= START OF LOAD BALANCING ============== 8557.72 LDB: ============== END OF LOAD BALANCING =============== 8557.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8557.72 LDB: ============= START OF LOAD BALANCING ============== 8558.04 LDB: Largest compute 7075 load 0.031641 is 16.2% of average load 0.194961 LDB: Average compute 0.004413 is 2.3% of average load 0.194961 LDB: TIME 8558.04 LOAD: AVG 0.194961 MAX 0.218365 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.598 MB LDB: TIME 8558.04 LOAD: AVG 0.194961 MAX 0.218365 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.598 MB LDB: TIME 8558.04 LOAD: AVG 0.194961 MAX 0.213612 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.598 MB LDB: ============== END OF LOAD BALANCING =============== 8558.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8558.05 PRESSURE: 2736400 219.393 -27.2027 93.6605 -27.2032 80.6541 -56.443 93.6613 -56.443 108.354 GPRESSURE: 2736400 156.723 -138.197 76.1034 -117.199 126.725 -88.2504 83.5564 53.7301 181.769 PRESSAVG: 2736400 17.7063 8.18214 -41.2242 8.18209 -19.7049 25.1946 -41.2242 25.1946 -16.9007 GPRESSAVG: 2736400 16.3796 10.9766 -38.6289 6.4164 -19.3108 26.6657 -40.186 21.8742 -15.9864 TIMING: 2736400 CPU: 8545.88, 0.00318523/step Wall: 8545.88, 0.00318523/step, 2.0028 hours remaining, 233.332031 MB of memory in use. ENERGY: 2736400 4081.6553 20255.7703 14474.8252 231.7376 -203286.4251 2624.6431 0.0000 0.0000 52020.9093 -109596.8844 298.9649 -161617.7937 -109238.4194 298.9992 136.1334 155.0726 761633.6781 -6.2998 -6.3059 PRESSURE: 2736600 -78.7862 -151.356 -13.96 -151.357 79.1176 139.214 -13.9594 139.213 -342.607 GPRESSURE: 2736600 -41.0811 -142.594 -26.6953 -204.003 82.6684 130.429 -78.013 229.369 -298.773 PRESSAVG: 2736600 2.13661 -40.1521 38.2741 -40.1521 26.3784 -38.5759 38.2741 -38.576 17.5148 GPRESSAVG: 2736600 3.01338 -41.5549 37.1573 -39.0452 24.6176 -38.1048 36.363 -37.5643 18.614 TIMING: 2736600 CPU: 8546.5, 0.00310519/step Wall: 8546.5, 0.00310519/step, 1.9523 hours remaining, 233.332031 MB of memory in use. ENERGY: 2736600 4046.3904 20337.1518 14463.6511 270.6783 -203139.6229 2617.5536 0.0000 0.0000 51896.5812 -109507.6164 298.2504 -161404.1976 -109149.8599 298.2151 -114.0920 -85.7287 762841.9458 15.3433 15.4150 PRESSURE: 2736800 -34.2408 -147.84 1.31976 -147.84 -199.292 162.815 1.319 162.814 26.0389 GPRESSURE: 2736800 -33.5055 79.7057 -2.09921 -61.5967 -46.0739 222.215 -67.4582 27.4334 -45.3836 PRESSAVG: 2736800 -2.41223 -32.3838 23.5895 -32.3838 -28.8595 -17.2391 23.5895 -17.2391 -17.4844 GPRESSAVG: 2736800 -1.99543 -33.4943 22.7822 -33.8821 -28.7772 -16.9615 24.6713 -17.287 -17.5747 TIMING: 2736800 CPU: 8547.13, 0.00313461/step Wall: 8547.13, 0.00313461/step, 1.97063 hours remaining, 233.332031 MB of memory in use. ENERGY: 2736800 3996.7607 20424.5275 14452.3549 242.3958 -202860.3698 2522.5977 0.0000 0.0000 51862.0022 -109359.7310 298.0516 -161221.7332 -109001.4965 298.4656 -69.1647 -41.6543 763624.3232 -16.2520 -16.1158 PRESSURE: 2737000 61.7438 112.587 210.189 112.587 147.108 -57.6508 210.189 -57.6517 127.452 GPRESSURE: 2737000 64.6475 39.0862 232.235 14.342 204.545 -104.9 106.708 -39.5016 150.602 PRESSAVG: 2737000 34.4333 -26.4191 53.5061 -26.4191 -4.5668 18.1384 53.5062 18.1384 3.11383 GPRESSAVG: 2737000 34.2704 -25.4064 53.0652 -26.8221 -4.4964 16.3572 53.2483 18.3063 2.95196 TIMING: 2737000 CPU: 8547.76, 0.00313028/step Wall: 8547.76, 0.00313028/step, 1.96773 hours remaining, 233.332031 MB of memory in use. ENERGY: 2737000 4000.1087 20515.5264 14504.4689 267.5159 -203540.3180 2856.6413 0.0000 0.0000 52080.1920 -109315.8647 299.3056 -161396.0568 -108945.8031 298.9020 112.1013 139.9315 762847.5721 10.9934 10.9087 PRESSURE: 2737200 -70.0416 42.3972 -19.1681 42.3973 -313.21 128.063 -19.168 128.063 -72.1617 GPRESSURE: 2737200 -28.1892 100.133 0.886663 107.414 -349.04 127.91 -31.55 117.422 15.5812 PRESSAVG: 2737200 22.5204 -34.9763 18.3175 -34.9763 -57.4236 7.37751 18.3175 7.37757 -4.70542 GPRESSAVG: 2737200 22.5667 -36.5941 20.7879 -34.4047 -56.3424 8.23676 17.8393 7.67547 -5.54141 TIMING: 2737200 CPU: 8548.38, 0.00309797/step Wall: 8548.38, 0.00309797/step, 1.94725 hours remaining, 233.332031 MB of memory in use. ENERGY: 2737200 3977.0264 20522.0199 14570.7723 243.4811 -203288.6760 2754.8932 0.0000 0.0000 51880.0549 -109340.4283 298.1554 -161220.4832 -108990.6157 298.5960 -151.8043 -120.5494 762557.1072 -13.2029 -13.1057 PRESSURE: 2737400 -39.1826 96.541 25.9891 96.5416 -326.461 76.3388 25.9884 76.3382 -133.134 GPRESSURE: 2737400 -52.421 34.541 -37.401 232.784 -227.779 -20.261 -29.3758 108.506 -126.527 PRESSAVG: 2737400 14.1365 -19.0151 13.9378 -19.0151 -5.50032 72.3765 13.9378 72.3765 6.18448 GPRESSAVG: 2737400 14.1402 -17.7622 12.0164 -19.1788 -6.07791 73.3089 13.9515 72.9936 6.63574 TIMING: 2737400 CPU: 8549, 0.00313368/step Wall: 8549, 0.00313368/step, 1.96952 hours remaining, 233.332031 MB of memory in use. ENERGY: 2737400 3953.3774 20572.2595 14499.6656 253.5507 -203277.9310 2771.9958 0.0000 0.0000 51829.4984 -109397.5836 297.8648 -161227.0820 -109042.8821 298.8153 -166.2592 -135.5756 763221.3234 4.9402 4.8994 PRESSURE: 2737600 67.2496 -238.484 -231.873 -238.483 83.539 -227.53 -231.873 -227.529 -171.363 GPRESSURE: 2737600 64.7694 -132 -305.808 -85.198 91.4002 -212.192 -87.5348 30.6674 -91.5848 PRESSAVG: 2737600 7.53264 -29.0466 2.32507 -29.0466 -10.4032 37.3992 2.32506 37.3992 7.20217 GPRESSAVG: 2737600 8.40613 -27.9302 1.64266 -27.5396 -10.7629 36.2206 2.93851 36.8881 7.10569 TIMING: 2737600 CPU: 8549.63, 0.00313825/step Wall: 8549.63, 0.00313825/step, 1.97221 hours remaining, 233.332031 MB of memory in use. ENERGY: 2737600 3944.5139 20495.5867 14458.2368 235.5982 -203553.0177 2699.3401 0.0000 0.0000 52390.9859 -109328.7561 301.0917 -161719.7420 -108967.8011 298.8447 -6.8582 21.5283 761696.3613 1.4439 1.5830 PRESSURE: 2737800 163.087 -170.566 207.807 -170.567 -314.877 151.715 207.808 151.715 134.776 GPRESSURE: 2737800 266.635 -177.095 143.229 -118.479 -299.559 142.602 131.23 83.4362 88.057 PRESSAVG: 2737800 5.24973 -8.65154 -16.8595 -8.65157 -1.91264 43.2909 -16.8595 43.2909 -19.6916 GPRESSAVG: 2737800 4.87642 -9.51202 -15.442 -9.99532 -1.8338 43.6058 -16.9144 43.9941 -19.0393 TIMING: 2737800 CPU: 8550.25, 0.00312421/step Wall: 8550.25, 0.00312421/step, 1.96322 hours remaining, 233.332031 MB of memory in use. ENERGY: 2737800 4004.1753 20516.0255 14466.6134 242.3954 -203189.0296 2736.7835 0.0000 0.0000 51981.4432 -109241.5934 298.7381 -161223.0366 -108888.8761 299.1327 -5.6711 18.3778 762117.9906 -5.4515 -5.3322 PRESSURE: 2738000 -192.47 122.142 156.264 122.142 -91.4572 -87.1059 156.264 -87.1053 -153.853 GPRESSURE: 2738000 -105.904 73.8153 33.1762 33.3774 -76.0849 -52.3815 138.15 18.8396 -185.758 PRESSAVG: 2738000 12.1837 -26.7531 3.17045 -26.7531 -48.3878 -8.90038 3.17045 -8.90047 10.3797 GPRESSAVG: 2738000 13.0821 -27.067 2.4978 -28.0766 -49.5359 -8.63519 1.12697 -9.25061 10.3892 TIMING: 2738000 CPU: 8550.88, 0.00313328/step Wall: 8550.88, 0.00313328/step, 1.96875 hours remaining, 233.332031 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: 2738000 4010.0767 20480.6389 14510.1960 249.9934 -203171.8308 2591.6845 0.0000 0.0000 52023.6419 -109305.5994 298.9806 -161329.2413 -108948.9152 298.9855 -145.9269 -122.5822 763694.2594 -8.6081 -8.6882 PRESSURE: 2738200 -111.288 -175.939 -334.666 -175.939 -168.993 138.515 -334.665 138.514 224.279 GPRESSURE: 2738200 -43.3954 -99.8873 -343.022 -141.132 -154.394 157.839 -306.049 198.34 219.091 PRESSAVG: 2738200 28.3747 -45.9857 -7.91858 -45.9856 -35.0887 11.3148 -7.9186 11.3148 10.1656 GPRESSAVG: 2738200 27.8622 -46.7306 -9.11222 -43.6169 -34.4411 10.3855 -4.97109 12.4959 10.2459 TIMING: 2738200 CPU: 8551.51, 0.00312679/step Wall: 8551.51, 0.00312679/step, 1.96449 hours remaining, 233.332031 MB of memory in use. ENERGY: 2738200 3964.7912 20383.2212 14481.3413 232.1334 -203184.0872 2580.6982 0.0000 0.0000 52045.9843 -109495.9177 299.1090 -161541.9020 -109127.4751 298.4577 -18.6673 7.1006 762707.8738 1.1505 1.2223 PRESSURE: 2738400 195.531 89.5157 -53.9182 89.5157 390.534 -164.766 -53.9186 -164.767 54.0712 GPRESSURE: 2738400 269.642 150.6 -93.183 4.71843 370.409 -133.151 -117.063 -246.284 68.9916 PRESSAVG: 2738400 51.9496 -44.0659 -52.5202 -44.0659 -10.0458 40.4538 -52.5202 40.4537 10.2155 GPRESSAVG: 2738400 52.1159 -44.4388 -51.0838 -46.059 -9.68872 41.1766 -53.1496 40.7957 10.0836 TIMING: 2738400 CPU: 8552.13, 0.00313194/step Wall: 8552.13, 0.00313194/step, 1.96755 hours remaining, 233.332031 MB of memory in use. ENERGY: 2738400 4002.1927 20676.6182 14443.9349 256.3884 -203691.8546 2889.5099 0.0000 0.0000 51808.8888 -109614.3216 297.7464 -161423.2105 -109265.4695 298.2686 213.3787 236.3475 761389.6602 17.3731 17.5036 PRESSURE: 2738600 104.611 -65.9269 -79.5816 -65.9266 -143.82 56.3522 -79.5809 56.3511 -147.219 GPRESSURE: 2738600 87.0662 -37.9385 -67.0159 26.1371 -27.6669 40.3137 -154.205 -49.3227 -165.147 PRESSAVG: 2738600 13.6826 -24.378 -42.3415 -24.3781 1.24224 -56.1668 -42.3416 -56.1668 13.0036 GPRESSAVG: 2738600 12.5179 -21.6512 -42.4307 -24.2214 2.3586 -55.4557 -42.2437 -58.0867 12.9095 TIMING: 2738600 CPU: 8552.76, 0.00313124/step Wall: 8552.76, 0.00313124/step, 1.96694 hours remaining, 233.332031 MB of memory in use. ENERGY: 2738600 3976.9802 20552.8508 14493.3096 251.1606 -203599.1206 2874.2379 0.0000 0.0000 52009.9513 -109440.6301 298.9019 -161450.5814 -109081.0624 298.3654 -62.1427 -35.2490 762695.9777 9.3095 9.2620 PRESSURE: 2738800 266.406 -73.2796 -7.18505 -73.2791 435.421 -174.119 -7.18499 -174.118 -194.174 GPRESSURE: 2738800 351.839 -132.247 81.0535 -80.4335 423.288 -167.459 -160.501 -90.5928 -197.907 PRESSAVG: 2738800 -10.2413 -8.67507 -29.6059 -8.67509 1.15765 -32.0599 -29.6058 -32.0598 15.6496 GPRESSAVG: 2738800 -9.48652 -9.82897 -29.0187 -7.38597 0.261791 -30.8338 -28.8424 -30.8218 15.4824 TIMING: 2738800 CPU: 8553.39, 0.00315136/step Wall: 8553.39, 0.00315136/step, 1.9794 hours remaining, 233.332031 MB of memory in use. ENERGY: 2738800 3936.0149 20515.0360 14534.5011 253.7590 -203457.2955 2695.4232 0.0000 0.0000 52353.5632 -109168.9981 300.8766 -161522.5612 -108804.7237 299.0029 169.2178 192.4063 761109.2037 2.1886 2.0859 PRESSURE: 2739000 162.779 -10.3827 -222.094 -10.3824 -146.394 -0.39762 -222.093 -0.396737 -350.806 GPRESSURE: 2739000 129.279 101.508 -208.626 -42.1717 -51.8839 84.0473 -165.559 -98.307 -319.623 PRESSAVG: 2739000 24.7349 -23.3802 0.0596128 -23.3802 -20.9248 -1.76953 0.0596524 -1.76954 8.42378 GPRESSAVG: 2739000 25.3556 -23.7292 -0.295291 -24.4592 -21.5546 -1.51253 -0.246241 -2.61761 8.49819 TIMING: 2739000 CPU: 8554.02, 0.00312767/step Wall: 8554.02, 0.00312767/step, 1.96435 hours remaining, 233.332031 MB of memory in use. ENERGY: 2739000 4009.2852 20508.7533 14471.7286 244.6911 -202570.3444 2340.2043 0.0000 0.0000 52030.0256 -108965.6563 299.0173 -160995.6819 -108598.7637 299.7003 -111.4738 -80.7426 762524.9763 4.0779 4.0997 PRESSURE: 2739200 -181.945 -180.348 262.189 -180.347 62.9257 102.806 262.189 102.806 -131.088 GPRESSURE: 2739200 -170.018 -128.773 264.1 -51.3277 106.521 111.384 105.96 5.61571 -92.4237 PRESSAVG: 2739200 -15.4575 4.11029 19.0438 4.11037 32.6797 82.3475 19.0438 82.3474 18.5713 GPRESSAVG: 2739200 -16.442 3.20244 17.5045 3.68347 33.4115 81.1323 19.6594 80.6421 18.9668 TIMING: 2739200 CPU: 8554.65, 0.00315436/step Wall: 8554.65, 0.00315436/step, 1.98094 hours remaining, 233.332031 MB of memory in use. ENERGY: 2739200 3987.8045 20286.6010 14509.0919 252.7763 -203105.8193 2631.0609 0.0000 0.0000 52357.3004 -109081.1843 300.8981 -161438.4848 -108708.7112 299.3904 -83.3691 -51.9738 761648.4971 11.9312 11.9787 PRESSURE: 2739400 -487.883 161.076 157.083 161.076 -451.615 -57.2816 157.084 -57.284 -329.927 GPRESSURE: 2739400 -458.072 123.675 114.768 215.486 -423.602 -23.075 92.8474 -47.6988 -288.107 PRESSAVG: 2739400 3.11262 12.2252 10.6968 12.2251 -33.7318 0.547229 10.6967 0.547329 -13.0041 GPRESSAVG: 2739400 3.35561 12.2564 12.6868 13.6654 -33.7302 -1.15076 9.45855 3.10822 -13.0707 TIMING: 2739400 CPU: 8555.27, 0.00314407/step Wall: 8555.27, 0.00314407/step, 1.9743 hours remaining, 233.332031 MB of memory in use. ENERGY: 2739400 3956.8032 20453.7014 14550.7205 248.6744 -203006.9824 2453.1670 0.0000 0.0000 52387.6920 -108956.2239 301.0728 -161343.9159 -108604.9635 299.6654 -423.1416 -389.9269 764059.8369 -14.5411 -14.4818 PRESSURE: 2739600 160.862 26.034 -123.82 26.0337 -358.357 -22.2157 -123.82 -22.2156 -233.505 GPRESSURE: 2739600 208.965 30.5957 -28.3421 -45.9275 -344.848 22.3419 -101.498 -32.9471 -215.826 PRESSAVG: 2739600 2.99031 26.0349 13.9638 26.035 30.0174 -2.80162 13.9638 -2.80162 -11.6832 GPRESSAVG: 2739600 3.80305 25.464 12.2887 26.0179 28.5231 -1.08132 13.8433 -3.36175 -10.0982 TIMING: 2739600 CPU: 8555.9, 0.00312101/step Wall: 8555.9, 0.00312101/step, 1.95965 hours remaining, 233.332031 MB of memory in use. ENERGY: 2739600 3955.5606 20552.4699 14564.7807 260.3192 -202906.2921 2397.8925 0.0000 0.0000 51988.7769 -109186.4922 298.7802 -161175.2692 -108821.6925 299.3307 -143.6665 -117.2364 763957.1915 7.1082 7.4093 PRESSURE: 2739800 81.0216 180.27 -89.8997 180.272 -105.086 -157.207 -89.8997 -157.207 416.633 GPRESSURE: 2739800 128.204 69.7761 -154.683 226.45 -56.2148 -119.956 54.6497 139.338 408.527 PRESSAVG: 2739800 22.7021 39.2009 -21.4513 39.2008 -12.2902 -60.3065 -21.4513 -60.3065 22.6945 GPRESSAVG: 2739800 23.1549 39.7439 -19.8368 39.333 -11.5715 -59.4865 -22.6334 -61.4113 21.2444 TIMING: 2739800 CPU: 8556.53, 0.00313804/step Wall: 8556.53, 0.00313804/step, 1.97016 hours remaining, 233.332031 MB of memory in use. ENERGY: 2739800 3978.9381 20428.9005 14531.7440 241.9024 -203402.1886 2910.5498 0.0000 0.0000 52193.5266 -109116.6271 299.9569 -161310.1537 -108754.6412 299.4273 130.8560 160.1720 761370.2036 11.0354 10.9426 PRESSURE: 2740000 280.884 136.879 119.07 136.88 -425.664 61.6465 119.071 61.6452 -437.363 GPRESSURE: 2740000 238.034 -91.2224 51.4532 133.141 -291.463 18.2995 157.013 36.6454 -459.249 PRESSAVG: 2740000 64.3014 28.6608 26.5504 28.6607 -22.4753 10.4641 26.5503 10.4641 -19.1986 GPRESSAVG: 2740000 62.9527 28.2732 26.9993 27.5798 -22.635 9.46923 26.1265 12.9082 -18.2557 TIMING: 2740000 CPU: 8557.15, 0.00314066/step Wall: 8557.15, 0.00314066/step, 1.97164 hours remaining, 233.332031 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: 2740000 3986.4940 20402.7952 14540.4322 234.3545 -203070.1520 2380.8175 0.0000 0.0000 52269.5211 -109255.7374 300.3937 -161525.2585 -108903.2706 299.4379 -194.0477 -170.8926 761133.8865 7.5425 7.3540 PRESSURE: 2740200 -205.35 166.499 102.527 166.499 -372.84 -41.4789 102.526 -41.4787 -115.16 GPRESSURE: 2740200 -191.81 70.0677 138.757 114.865 -350.235 -125.808 17.2996 -190.818 -61.2727 PRESSAVG: 2740200 68.3376 29.722 69.9345 29.722 -44.5639 13.9876 69.9345 13.9876 0.926744 GPRESSAVG: 2740200 68.4161 30.2548 69.6813 29.887 -43.7983 12.0468 71.2461 12.1238 -0.0885553 TIMING: 2740200 CPU: 8557.78, 0.00312909/step Wall: 8557.78, 0.00312909/step, 1.9642 hours remaining, 233.332031 MB of memory in use. ENERGY: 2740200 4087.4523 20355.3910 14499.9972 246.1432 -203057.2045 2593.6667 0.0000 0.0000 52043.8484 -109230.7057 299.0967 -161274.5541 -108879.2108 298.9989 -231.1170 -201.1060 762070.6525 8.2335 8.1764 LDB: ============= START OF LOAD BALANCING ============== 8570.26 LDB: ============== END OF LOAD BALANCING =============== 8570.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8570.26 LDB: ============= START OF LOAD BALANCING ============== 8570.58 LDB: Largest compute 7075 load 0.030699 is 15.7% of average load 0.195070 LDB: Average compute 0.004400 is 2.3% of average load 0.195070 LDB: TIME 8570.58 LOAD: AVG 0.19507 MAX 0.214662 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.355 MB LDB: TIME 8570.58 LOAD: AVG 0.19507 MAX 0.214662 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.355 MB LDB: TIME 8570.58 LOAD: AVG 0.19507 MAX 0.214662 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.355 MB LDB: ============== END OF LOAD BALANCING =============== 8570.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8570.59 PRESSURE: 2740400 75.6008 0.270253 222.163 0.269378 -283.613 -327.698 222.164 -327.698 -244.311 GPRESSURE: 2740400 63.5515 129.269 158.211 -142.912 -338.807 -344.807 185.623 -151.198 -85.2152 PRESSAVG: 2740400 39.8498 4.53321 -21.495 4.53324 -49.5193 -31.3171 -21.495 -31.3171 28.2749 GPRESSAVG: 2740400 40.2461 3.59363 -22.898 5.11391 -49.832 -29.105 -22.102 -33.1066 28.3473 TIMING: 2740400 CPU: 8558.42, 0.00321531/step Wall: 8558.42, 0.00321531/step, 2.01814 hours remaining, 233.332031 MB of memory in use. ENERGY: 2740400 4031.4354 20500.3291 14580.8306 247.6807 -203316.6897 2700.7847 0.0000 0.0000 52017.6169 -109238.0123 298.9460 -161255.6292 -108876.5189 299.0881 -150.7741 -120.1570 763334.2297 6.2018 6.2538 PRESSURE: 2740600 188.177 18.7983 -112.354 18.7988 -257.255 181.341 -112.353 181.341 256.749 GPRESSURE: 2740600 224.916 109.165 -54.9566 10.9633 -196.699 171.634 -13.7663 293.258 240.94 PRESSAVG: 2740600 20.8706 -23.5877 -2.93098 -23.5876 -48.1746 28.672 -2.93103 28.6721 -1.95042 GPRESSAVG: 2740600 20.6122 -20.4164 -2.16863 -25.3835 -48.5796 28.7634 -1.23366 31.4681 -1.47817 TIMING: 2740600 CPU: 8559.05, 0.00315548/step Wall: 8559.05, 0.00315548/step, 1.98042 hours remaining, 233.535156 MB of memory in use. ENERGY: 2740600 3969.8879 20570.1008 14526.2691 239.8936 -203435.5806 2714.2706 0.0000 0.0000 52160.4316 -109254.7269 299.7667 -161415.1585 -108892.3714 299.3007 62.5569 89.7188 761936.0383 -9.7515 -9.8152 PRESSURE: 2740800 -120.673 -160.083 15.5218 -160.084 -106.951 59.6859 15.5229 59.6872 -139.602 GPRESSURE: 2740800 -37.2427 -161.279 79.8513 -115.428 25.0194 60.607 142.057 92.4793 -232.152 PRESSAVG: 2740800 36.0957 -48.2541 2.02649 -48.254 -55.1077 65.8808 2.02648 65.8809 26.3222 GPRESSAVG: 2740800 35.6098 -51.4612 2.54697 -46.8284 -53.6755 66.1204 2.62122 64.9165 24.9615 TIMING: 2740800 CPU: 8559.69, 0.00315654/step Wall: 8559.69, 0.00315654/step, 1.9809 hours remaining, 233.535156 MB of memory in use. ENERGY: 2740800 3995.7459 20614.2285 14573.7774 230.7368 -203262.4593 2691.4140 0.0000 0.0000 52153.2349 -109003.3218 299.7254 -161156.5567 -108645.8861 299.4873 -122.4084 -81.4583 762719.6676 2.4367 2.2986 PRESSURE: 2741000 54.1643 16.7731 47.2779 16.7733 340.989 -21.622 47.2781 -21.6217 2.36207 GPRESSURE: 2741000 107.661 -19.6826 -23.7475 -32.849 401.477 -30.2692 91.8517 58.2575 -8.36299 PRESSAVG: 2741000 -1.21724 -24.7221 40.7847 -24.7221 39.417 39.8819 40.7847 39.882 -47.6898 GPRESSAVG: 2741000 -0.489513 -22.4488 38.7937 -25.9863 38.7351 37.6351 36.9393 40.1425 -47.1146 TIMING: 2741000 CPU: 8560.31, 0.00313214/step Wall: 8560.31, 0.00313214/step, 1.96542 hours remaining, 233.535156 MB of memory in use. ENERGY: 2741000 4049.0189 20792.3497 14507.7144 263.2754 -202853.1097 2400.2471 0.0000 0.0000 52075.7108 -108764.7936 299.2798 -160840.5044 -108417.2935 300.2380 132.5051 166.9248 761248.2973 -3.1633 -2.9563 PRESSURE: 2741200 -402.026 164.166 -38.9751 164.166 -214.622 -91.8902 -38.9751 -91.89 -12.2368 GPRESSURE: 2741200 -368.262 96.299 -68.7146 95.0423 -181.503 -92.3839 125.948 -136.305 -7.85358 PRESSAVG: 2741200 4.5636 22.6832 -25.4208 22.6833 -20.4044 -23.633 -25.4208 -23.633 -0.166986 GPRESSAVG: 2741200 3.61802 20.4254 -24.2233 24.4883 -19.8899 -22.0129 -22.1306 -22.2867 -0.0807931 TIMING: 2741200 CPU: 8560.94, 0.0031367/step Wall: 8560.94, 0.0031367/step, 1.96811 hours remaining, 233.535156 MB of memory in use. ENERGY: 2741200 3979.3929 20530.6886 14550.9677 260.9061 -202391.5011 2362.1688 0.0000 0.0000 51950.8744 -108756.5025 298.5624 -160707.3770 -108382.8350 299.8273 -209.6283 -185.8730 764182.1185 -5.3359 -5.4509 PRESSURE: 2741400 -288.612 44.1579 24.3238 44.1575 122.627 26.4178 24.3242 26.4171 -88.1313 GPRESSURE: 2741400 -177.842 51.5989 -10.1769 68.1894 112.056 66.517 55.3048 -73.9751 -103.264 PRESSAVG: 2741400 -17.3826 23.814 -25.8489 23.8139 -7.83938 26.4255 -25.8489 26.4255 -21.714 GPRESSAVG: 2741400 -16.1106 25.9742 -24.7477 21.678 -8.10446 27.2254 -25.871 22.9103 -22.0073 TIMING: 2741400 CPU: 8561.57, 0.00315774/step Wall: 8561.57, 0.00315774/step, 1.98113 hours remaining, 233.535156 MB of memory in use. ENERGY: 2741400 3983.6733 20533.7567 14504.2780 254.6234 -202870.7019 2627.8642 0.0000 0.0000 52120.3270 -108846.1794 299.5362 -160966.5063 -108477.8833 300.0039 -84.7053 -56.3501 762287.6684 -15.6453 -15.4075 PRESSURE: 2741600 145.406 109.804 -309.163 109.804 139.289 402.027 -309.163 402.026 -8.93311 GPRESSURE: 2741600 177.342 47.7182 -241.965 45.297 173.881 402.75 -296.673 287.923 29.909 PRESSAVG: 2741600 58.2539 -23.334 14.7504 -23.334 -40.8069 35.2701 14.7504 35.2701 8.83901 GPRESSAVG: 2741600 58.1138 -24.71 13.1788 -22.3192 -40.082 34.7581 15.8411 37.1226 8.45483 TIMING: 2741600 CPU: 8562.2, 0.00313919/step Wall: 8562.2, 0.00313919/step, 1.96932 hours remaining, 233.535156 MB of memory in use. ENERGY: 2741600 3976.8098 20665.8592 14478.0778 261.7940 -203290.0271 2930.8121 0.0000 0.0000 52106.8008 -108869.8735 299.4585 -160976.6743 -108506.6975 300.1658 91.9206 127.0443 762221.3403 8.7620 8.8289 PRESSURE: 2741800 -6.55503 127.097 -41.5371 127.096 -119.24 55.6363 -41.5376 55.6349 -102.741 GPRESSURE: 2741800 -65.4173 65.7161 -42.0719 76.0519 -144.6 136.795 -20.0114 -64.1898 51.6509 PRESSAVG: 2741800 50.3068 -15.155 -41.8043 -15.1551 -38.0998 5.64529 -41.8043 5.64528 -24.3934 GPRESSAVG: 2741800 49.8995 -15.5158 -41.6894 -14.4145 -40.0457 7.12034 -41.1904 6.87582 -22.4042 TIMING: 2741800 CPU: 8562.83, 0.00315021/step Wall: 8562.83, 0.00315021/step, 1.97606 hours remaining, 233.535156 MB of memory in use. ENERGY: 2741800 4027.0929 20694.6875 14488.8203 244.4924 -203237.3340 2773.0248 0.0000 0.0000 51806.2515 -109202.9646 297.7312 -161009.2161 -108851.5884 299.0088 -76.1785 -52.7889 763196.8843 -4.0621 -4.1835 PRESSURE: 2742000 -35.6038 170.64 121.41 170.64 60.4155 43.186 121.409 43.1836 -0.943386 GPRESSURE: 2742000 -15.6007 264.36 122.662 58.2822 68.6665 -68.9855 61.3536 179.266 56.4363 PRESSAVG: 2742000 37.4362 -15.094 -72.4099 -15.094 1.76795 1.07885 -72.4099 1.07878 6.41608 GPRESSAVG: 2742000 37.9308 -13.7185 -72.8195 -15.9554 2.46906 -1.88637 -72.8757 0.336616 5.24657 TIMING: 2742000 CPU: 8563.46, 0.00316607/step Wall: 8563.46, 0.00316607/step, 1.98583 hours remaining, 233.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2742000 4019.5115 20480.7881 14515.0764 262.9338 -203690.5520 2874.8960 0.0000 0.0000 52426.5584 -109110.7878 301.2962 -161537.3463 -108742.8008 299.6843 7.9561 36.5007 761962.8698 15.2067 15.2155 PRESSURE: 2742200 -82.5216 -34.6068 15.4643 -34.6064 87.2187 159.133 15.4628 159.133 -33.8056 GPRESSURE: 2742200 -100.387 -90.017 -29.7801 -48.8445 223.721 147.131 13.0122 89.2658 -59.7989 PRESSAVG: 2742200 12.5033 12.6564 -39.8864 12.6564 24.7345 5.33338 -39.8864 5.33351 0.217994 GPRESSAVG: 2742200 11.4453 11.4176 -39.023 12.8847 25.7658 7.24528 -42.8147 5.16835 0.338174 TIMING: 2742200 CPU: 8564.09, 0.00315993/step Wall: 8564.09, 0.00315993/step, 1.9818 hours remaining, 233.535156 MB of memory in use. ENERGY: 2742200 3985.9674 20463.3941 14564.7114 240.9723 -203381.6663 2876.0845 0.0000 0.0000 52031.8630 -109218.6736 299.0278 -161250.5366 -108862.0063 299.6447 -9.7028 21.1780 762657.1005 12.4852 12.5164 PRESSURE: 2742400 26.2852 -267.524 -200.117 -267.524 52.0059 10.1043 -200.116 10.1047 209.468 GPRESSURE: 2742400 79.7993 -133.832 -187.017 -191.17 61.237 -36.0128 -128.506 2.41576 239.796 PRESSAVG: 2742400 -7.47522 -25.9926 -4.62089 -25.9926 -24.9578 6.43236 -4.62094 6.43241 -1.92513 GPRESSAVG: 2742400 -6.44775 -26.5329 -5.24686 -26.6524 -25.1085 7.31988 -2.13598 5.92188 -2.53202 TIMING: 2742400 CPU: 8564.73, 0.0031582/step Wall: 8564.73, 0.0031582/step, 1.98054 hours remaining, 233.535156 MB of memory in use. ENERGY: 2742400 3968.6911 20539.8346 14570.9729 250.0370 -203298.1943 2671.9522 0.0000 0.0000 52088.4124 -109208.2941 299.3528 -161296.7065 -108857.0845 299.2248 95.9196 126.9442 761468.1108 -11.4527 -11.3628 PRESSURE: 2742600 -325.667 -80.6795 5.17106 -80.6802 -159.973 -285.969 5.17021 -285.97 -253.993 GPRESSURE: 2742600 -275.252 -81.6271 -46.7896 -51.8993 -146.092 -241.219 78.4034 -53.2126 -225.848 PRESSAVG: 2742600 36.1096 -1.3171 -79.3543 -1.31714 7.30002 9.03805 -79.3544 9.03801 -1.97217 GPRESSAVG: 2742600 35.1256 -1.25446 -78.1664 -0.0732148 6.99516 8.15057 -79.2668 11.6352 -1.29747 TIMING: 2742600 CPU: 8565.36, 0.00315096/step Wall: 8565.36, 0.00315096/step, 1.97583 hours remaining, 233.535156 MB of memory in use. ENERGY: 2742600 4022.1855 20395.7297 14522.0048 240.7027 -203120.9866 2321.7637 0.0000 0.0000 52376.9210 -109241.6792 301.0109 -161618.6002 -108875.7062 299.6099 -246.5445 -215.7307 762018.9345 13.8125 13.6078 PRESSURE: 2742800 34.5239 -24.4412 -38.1161 -24.4402 -95.6791 139.478 -38.115 139.479 310.979 GPRESSURE: 2742800 -9.22996 -20.3496 -27.647 -71.452 55.1983 141.929 -96.9332 21.0148 275.266 PRESSAVG: 2742800 -2.12993 -20.2909 6.68652 -20.2909 -28.4092 -5.36235 6.68647 -5.36241 -8.59875 GPRESSAVG: 2742800 -3.04307 -19.529 5.10728 -20.9463 -27.7997 -3.68911 5.13263 -6.89376 -8.26997 TIMING: 2742800 CPU: 8565.99, 0.00318746/step Wall: 8565.99, 0.00318746/step, 1.99853 hours remaining, 233.535156 MB of memory in use. ENERGY: 2742800 3913.8778 20589.5694 14543.8012 250.1158 -203236.7625 2603.4183 0.0000 0.0000 52067.8948 -109268.0853 299.2349 -161335.9801 -108924.6410 298.8027 83.2747 107.0782 762115.6735 -13.0459 -13.0376 PRESSURE: 2743000 240.556 -226.554 172.401 -226.554 218.533 42.9554 172.401 42.9552 444.626 GPRESSURE: 2743000 204.156 -105.58 242.725 -157.751 265.227 10.7545 16.5422 67.574 516.257 PRESSAVG: 2743000 -3.89348 17.8393 19.7073 17.8393 27.3453 -12.7724 19.7073 -12.7725 8.06631 GPRESSAVG: 2743000 -4.40378 16.2371 19.4349 18.4762 26.8076 -14.1638 19.3912 -13.1538 8.75679 TIMING: 2743000 CPU: 8566.63, 0.00318408/step Wall: 8566.63, 0.00318408/step, 1.99624 hours remaining, 233.535156 MB of memory in use. ENERGY: 2743000 4024.2705 20449.9948 14524.6002 247.7421 -203413.2173 2985.6970 0.0000 0.0000 52049.2659 -109131.6468 299.1278 -161180.9127 -108772.3372 298.3396 301.2384 328.5464 761510.2496 10.5061 10.3869 PRESSURE: 2743200 112.993 -109.921 -79.1484 -109.92 67.6564 242.513 -79.1492 242.513 -21.1951 GPRESSURE: 2743200 121.929 -6.6362 -79.9475 -99.4369 165.967 218.461 -60.3685 145.101 -26.9664 PRESSAVG: 2743200 29.0259 -29.4277 -11.99 -29.4277 -21.3998 12.3055 -11.99 12.3055 -19.9084 GPRESSAVG: 2743200 31.5449 -25.6996 -11.0587 -30.8013 -21.2011 12.3079 -11.2292 13.7019 -22.2916 TIMING: 2743200 CPU: 8567.26, 0.00314606/step Wall: 8567.26, 0.00314606/step, 1.97223 hours remaining, 233.535156 MB of memory in use. ENERGY: 2743200 3911.9964 20368.5833 14605.4428 237.9284 -203070.0558 2798.5918 0.0000 0.0000 52163.0617 -108984.4514 299.7818 -161147.5131 -108608.6358 299.6135 53.1514 86.9765 763258.9461 -4.0941 -3.9826 PRESSURE: 2743400 63.5645 -20.672 176.3 -20.6715 -114.618 -62.1918 176.3 -62.1909 -392.822 GPRESSURE: 2743400 94.5038 -68.4629 144.788 12.3571 -70.4588 -69.2863 40.5556 -126.393 -380.862 PRESSAVG: 2743400 -11.1424 -37.6009 48.0073 -37.6008 51.0414 38.6757 48.0073 38.6757 -0.88352 GPRESSAVG: 2743400 -13.9479 -39.2719 48.9866 -36.7959 51.3911 39.3394 47.9916 36.1862 1.65327 TIMING: 2743400 CPU: 8567.89, 0.00314407/step Wall: 8567.89, 0.00314407/step, 1.97081 hours remaining, 233.535156 MB of memory in use. ENERGY: 2743400 4042.1431 20431.6696 14496.3556 250.9779 -203210.6247 2781.5205 0.0000 0.0000 52071.7178 -109136.2402 299.2569 -161207.9580 -108774.9404 299.4079 -147.9585 -118.9389 762800.6645 13.0052 13.0321 PRESSURE: 2743600 165.251 0.393623 53.5687 0.393918 242.273 111.642 53.5687 111.642 141.875 GPRESSURE: 2743600 183.805 23.8002 9.78198 -125.961 259.085 139.749 -25.7245 -152.935 189.275 PRESSAVG: 2743600 -9.31714 -37.1499 24.5852 -37.1499 38.0955 42.8149 24.5851 42.8149 18.3481 GPRESSAVG: 2743600 -6.90999 -37.5516 24.755 -38.7195 37.6446 43.4705 23.5241 42.9598 16.8182 TIMING: 2743600 CPU: 8568.52, 0.00314414/step Wall: 8568.52, 0.00314414/step, 1.97068 hours remaining, 233.535156 MB of memory in use. ENERGY: 2743600 3998.0741 20598.8084 14506.2442 240.3044 -203170.6509 2737.9731 0.0000 0.0000 52063.2662 -109025.9804 299.2083 -161089.2466 -108664.4479 299.1356 183.1329 210.7215 761687.7972 15.7088 15.8510 PRESSURE: 2743800 -97.2102 -38.7268 -55.2333 -38.7261 -313.952 204.233 -55.234 204.233 -259.538 GPRESSURE: 2743800 -109.936 -132.85 -31.3165 -91.92 -285.93 186.9 -6.18224 152.166 -188.913 PRESSAVG: 2743800 -20.5844 -17.8966 52.7932 -17.8966 -16.1253 12.5485 52.7931 12.5485 2.53695 GPRESSAVG: 2743800 -21.5957 -16.6141 51.5341 -16.4904 -16.1899 11.586 55.2053 14.5978 3.47521 TIMING: 2743800 CPU: 8569.15, 0.00315526/step Wall: 8569.15, 0.00315526/step, 1.97747 hours remaining, 233.535156 MB of memory in use. ENERGY: 2743800 4013.7966 20462.3057 14515.2464 248.3404 -203109.5520 2602.0359 0.0000 0.0000 52010.0508 -109257.7761 298.9025 -161267.8269 -108900.0621 299.4091 -223.5668 -194.9262 761835.3613 -11.3909 -11.4368 PRESSURE: 2744000 -179.114 54.1349 -4.39612 54.1336 -216.997 144.393 -4.39552 144.394 -119.496 GPRESSURE: 2744000 -93.567 58.5239 20.2726 -13.8486 -178.928 228.485 -44.7996 129.535 -137.729 PRESSAVG: 2744000 0.0689972 -41.9929 -3.12321 -41.9929 39.012 21.6066 -3.12317 21.6066 -19.0266 GPRESSAVG: 2744000 -0.716945 -42.4655 -2.20812 -42.0953 39.6188 20.8376 -4.10685 21.1423 -19.3747 TIMING: 2744000 CPU: 8569.78, 0.00314897/step Wall: 8569.78, 0.00314897/step, 1.97335 hours remaining, 233.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2744000 4003.6247 20493.8440 14484.8324 242.8496 -203097.1335 2475.8576 0.0000 0.0000 51997.1212 -109399.0041 298.8282 -161396.1252 -109052.5399 299.1492 -171.8690 -136.7414 761521.9110 6.6848 6.5090 PRESSURE: 2744200 -199.603 -132.416 93.9082 -132.416 76.7227 -47.5473 93.9073 -47.5476 176.084 GPRESSURE: 2744200 -77.9307 -101.13 39.8856 -87.8049 -36.9492 -160.916 101.217 46.9987 238.366 PRESSAVG: 2744200 -40.9314 28.6493 6.0029 28.6493 31.2938 55.6197 6.00291 55.6197 1.56245 GPRESSAVG: 2744200 -40.0239 28.2664 7.17039 28.6598 30.0105 56.3163 5.49345 55.3053 1.52518 TIMING: 2744200 CPU: 8570.41, 0.00316855/step Wall: 8570.41, 0.00316855/step, 1.98545 hours remaining, 233.535156 MB of memory in use. ENERGY: 2744200 4008.6611 20499.1199 14545.7960 251.7959 -203075.7879 2454.6122 0.0000 0.0000 51775.6776 -109540.1253 297.5555 -161315.8029 -109176.7934 298.5573 17.7348 41.1621 761396.1582 -2.6917 -2.8294 LDB: ============= START OF LOAD BALANCING ============== 8582.9 LDB: ============== END OF LOAD BALANCING =============== 8582.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8582.9 LDB: ============= START OF LOAD BALANCING ============== 8583.21 LDB: Largest compute 7064 load 0.031717 is 16.3% of average load 0.195099 LDB: Average compute 0.004407 is 2.3% of average load 0.195099 LDB: TIME 8583.22 LOAD: AVG 0.195099 MAX 0.214396 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.844 MB LDB: TIME 8583.22 LOAD: AVG 0.195099 MAX 0.214396 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.848 MB LDB: TIME 8583.22 LOAD: AVG 0.195099 MAX 0.214396 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.848 MB LDB: ============== END OF LOAD BALANCING =============== 8583.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 8583.22 Info: useSync: 0 useProxySync: 0 PRESSURE: 2744400 144.627 103.727 7.57464 103.727 391.45 1.49182 7.57475 1.49123 -77.4345 GPRESSURE: 2744400 137.04 65.5387 -74.9013 209.554 482.332 -80.9993 -94.0157 -44.1189 -72.1647 PRESSAVG: 2744400 6.82473 20.3081 11.0622 20.3081 3.72443 33.5622 11.0622 33.5622 6.75281 GPRESSAVG: 2744400 6.91753 21.8109 10.9335 19.1393 3.91795 34.0582 10.1165 32.8336 6.64069 TIMING: 2744400 CPU: 8571.06, 0.00323246/step Wall: 8571.06, 0.00323246/step, 2.02532 hours remaining, 234.050781 MB of memory in use. ENERGY: 2744400 3922.2781 20324.2460 14589.5055 256.8666 -203594.8269 2876.8517 0.0000 0.0000 52004.6231 -109620.4559 298.8713 -161625.0790 -109253.6724 298.2365 152.8808 182.4022 761467.5203 5.7673 5.8254 PRESSURE: 2744600 69.2648 -109.378 56.0827 -109.378 -342.917 132.367 56.0821 132.368 -86.7354 GPRESSURE: 2744600 96.0821 -139.257 29.8136 -173.451 -224.599 220.925 129.875 41.4111 -137.421 PRESSAVG: 2744600 -4.22937 -31.1504 11.8645 -31.1505 -0.333613 8.46754 11.8645 8.46752 9.10363 GPRESSAVG: 2744600 -4.6933 -34.4832 9.1328 -28.7441 0.359339 7.66982 15.0166 9.41444 9.06335 TIMING: 2744600 CPU: 8571.69, 0.00314793/step Wall: 8571.69, 0.00314793/step, 1.97218 hours remaining, 234.250000 MB of memory in use. ENERGY: 2744600 3956.6875 20484.1906 14575.6683 251.0767 -203486.8974 2678.3566 0.0000 0.0000 51929.4223 -109611.4955 298.4391 -161540.9177 -109243.8614 298.7809 -120.1293 -88.6459 762601.1052 1.5136 1.5765 PRESSURE: 2744800 274.71 -100.045 -239.009 -100.045 34.0638 189.951 -239.009 189.95 608.856 GPRESSURE: 2744800 377.001 -100.273 -338.02 -30.549 94.6349 197.742 -184.626 136.012 552.856 PRESSAVG: 2744800 17.2173 4.23583 19.9508 4.23585 -10.7777 -47.4923 19.9508 -47.4924 13.0779 GPRESSAVG: 2744800 17.4836 7.07721 21.6066 3.42345 -10.7033 -49.0706 17.4004 -47.7064 12.4201 TIMING: 2744800 CPU: 8572.31, 0.00312705/step Wall: 8572.31, 0.00312705/step, 1.95893 hours remaining, 234.250000 MB of memory in use. ENERGY: 2744800 4010.2200 20281.7003 14498.6398 249.1169 -203435.8934 2951.9933 0.0000 0.0000 52050.6151 -109393.6080 299.1356 -161444.2231 -109036.4674 298.7253 305.8766 341.4971 760521.4740 6.5059 6.4002 PRESSURE: 2745000 1.43768 -69.9375 -103.591 -69.9379 -144.919 137.703 -103.591 137.702 111.985 GPRESSURE: 2745000 95.2846 -3.11546 -39.6381 -106.243 -247.58 88.9585 -206.9 46.0544 218.307 PRESSAVG: 2745000 -20.9396 0.108331 23.4984 0.108324 37.9858 -6.43499 23.4985 -6.435 -11.8526 GPRESSAVG: 2745000 -19.4855 1.59993 23.0412 -1.10193 36.8179 -5.0401 23.3862 -8.05292 -11.6687 TIMING: 2745000 CPU: 8572.94, 0.00313526/step Wall: 8572.94, 0.00313526/step, 1.96389 hours remaining, 234.250000 MB of memory in use. ENERGY: 2745000 4027.2413 20532.9373 14523.6521 237.2320 -203478.1697 2565.6636 0.0000 0.0000 52197.8848 -109393.5587 299.9820 -161591.4435 -109029.8024 298.8325 -10.4990 22.0037 762581.2041 1.7312 1.8879 PRESSURE: 2745200 9.3205 282.202 -72.5766 282.203 328.156 -42.0034 -72.5769 -42.0039 179.416 GPRESSURE: 2745200 54.6986 187.371 12.6823 121.667 341.695 -15.273 11.8388 32.0954 201.441 PRESSAVG: 2745200 81.594 -11.2757 -4.00426 -11.2757 -119.029 0.225894 -4.00421 0.225925 31.9377 GPRESSAVG: 2745200 79.9886 -12.2004 -3.86994 -10.6491 -118.115 -0.156774 -2.34798 1.31577 32.4537 TIMING: 2745200 CPU: 8573.57, 0.00312975/step Wall: 8573.57, 0.00312975/step, 1.96027 hours remaining, 234.250000 MB of memory in use. ENERGY: 2745200 4057.2047 20495.5505 14493.7561 249.6718 -203372.0119 2842.4081 0.0000 0.0000 51834.8912 -109398.5295 297.8958 -161233.4208 -109046.4746 298.5867 172.2975 199.2781 763077.5785 -1.8325 -1.8910 PRESSURE: 2745400 -397.718 -75.0032 130.325 -75.0032 -20.0835 28.324 130.325 28.3255 -498.289 GPRESSURE: 2745400 -333.439 -51.1872 186.958 4.23355 -72.4378 -9.68204 146.805 25.4444 -404.436 PRESSAVG: 2745400 -29.4574 -49.7152 14.3537 -49.7152 33.2188 10.0844 14.3536 10.0844 14.3527 GPRESSAVG: 2745400 -27.4304 -49.6402 14.8918 -50.26 31.6891 10.2894 13.3036 8.49579 14.4054 TIMING: 2745400 CPU: 8574.2, 0.0031455/step Wall: 8574.2, 0.0031455/step, 1.96996 hours remaining, 234.250000 MB of memory in use. ENERGY: 2745400 4006.4426 20558.1717 14551.5545 245.1336 -203286.8506 2552.1773 0.0000 0.0000 52190.8867 -109182.4842 299.9417 -161373.3708 -108819.5519 299.4482 -305.3638 -270.1042 763387.2367 6.0380 6.2214 PRESSURE: 2745600 -141.967 -227.005 187.267 -227.004 -77.0595 106.273 187.266 106.271 -378.637 GPRESSURE: 2745600 -142.761 -222.003 181.165 -142.308 33.9849 101.023 140.927 110.038 -400.33 PRESSAVG: 2745600 -26.7223 -25.1019 63.352 -25.1019 48.6887 0.82547 63.352 0.825511 -12.9133 GPRESSAVG: 2745600 -27.0418 -26.8597 62.2578 -24.6768 49.4961 -0.606058 65.2917 4.52281 -13.498 TIMING: 2745600 CPU: 8574.82, 0.00313394/step Wall: 8574.82, 0.00313394/step, 1.96254 hours remaining, 234.250000 MB of memory in use. ENERGY: 2745600 4049.5898 20506.0886 14508.9676 255.5810 -203245.2646 2494.9614 0.0000 0.0000 52293.0742 -109137.0020 300.5290 -161430.0762 -108766.5843 300.0449 -199.2210 -169.7022 763328.7589 3.0177 2.9854 PRESSURE: 2745800 232.768 56.9761 -262.786 56.9758 -1.40337 143.568 -262.786 143.569 -17.4939 GPRESSURE: 2745800 155.231 128.605 -261.049 31.0979 130.138 154.225 -292.019 30.434 4.57896 PRESSAVG: 2745800 -4.36557 33.9465 23.4544 33.9464 14.8337 8.26092 23.4543 8.26092 -0.480112 GPRESSAVG: 2745800 -5.47931 34.4019 25.4474 36.3705 15.5222 10.691 21.261 3.40986 -0.547384 TIMING: 2745800 CPU: 8575.45, 0.00313643/step Wall: 8575.45, 0.00313643/step, 1.96393 hours remaining, 234.250000 MB of memory in use. ENERGY: 2745800 4024.0239 20605.1470 14437.9768 246.7542 -203666.0408 3231.4621 0.0000 0.0000 52054.0220 -109066.6547 299.1552 -161120.6767 -108697.0040 299.7581 71.2902 96.6491 763510.6535 3.3293 3.1652 PRESSURE: 2746000 -5.58754 99.7903 103.406 99.79 243.831 134.893 103.406 134.894 74.3914 GPRESSURE: 2746000 129.975 43.6733 17.4035 66.8158 225.089 128.63 122.835 164.137 43.7343 PRESSAVG: 2746000 -28.9046 -27.1284 56.1386 -27.1284 -24.2725 9.46055 56.1385 9.46053 -0.561074 GPRESSAVG: 2746000 -28.367 -26.9759 55.1674 -28.1656 -24.4409 9.34663 55.3899 10.9179 -0.641695 TIMING: 2746000 CPU: 8576.08, 0.00313342/step Wall: 8576.08, 0.00313342/step, 1.96187 hours remaining, 234.250000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2746000 4019.8367 20666.7055 14545.5348 255.5106 -203539.8413 3000.2392 0.0000 0.0000 51927.9565 -109124.0579 298.4307 -161052.0144 -108765.5374 299.6013 104.2115 132.9329 762180.5297 -17.9127 -17.8166 PRESSURE: 2746200 307.171 56.523 87.2629 56.5224 160.954 -25.3356 87.2633 -25.3361 361.853 GPRESSURE: 2746200 257.765 -37.8057 11.2488 -64.3104 195.05 -33.6747 18.0512 -48.9932 452.561 PRESSAVG: 2746200 -21.0717 15.6831 -22.3934 15.683 -14.0232 -39.3316 -22.3933 -39.3316 4.0213 GPRESSAVG: 2746200 -21.0868 15.6464 -24.0831 15.3287 -14.4361 -39.728 -20.046 -38.4121 4.58105 TIMING: 2746200 CPU: 8576.7, 0.00312945/step Wall: 8576.7, 0.00312945/step, 1.95921 hours remaining, 234.250000 MB of memory in use. ENERGY: 2746200 3986.3835 20484.0921 14444.7075 256.2002 -203455.8180 2856.9616 0.0000 0.0000 52000.6696 -109426.8034 298.8486 -161427.4731 -109070.0170 299.1089 276.6594 301.7921 762023.8255 -10.3579 -10.3139 PRESSURE: 2746400 -48.7687 -100.496 -78.1107 -100.497 37.3889 156.515 -78.1107 156.514 -111.167 GPRESSURE: 2746400 26.6586 -163.711 -49.6129 3.666 105.195 53.8384 30.1885 173.892 -161.332 PRESSAVG: 2746400 -6.04379 31.8941 48.6728 31.8941 -25.5264 -32.7996 48.6728 -32.7996 4.01436 GPRESSAVG: 2746400 -6.37849 32.8151 50.3361 31.9428 -25.3416 -31.5066 46.7598 -33.9331 3.87929 TIMING: 2746400 CPU: 8577.33, 0.00312487/step Wall: 8577.33, 0.00312487/step, 1.95617 hours remaining, 234.250000 MB of memory in use. ENERGY: 2746400 4039.7364 20604.5281 14495.0699 260.6848 -203491.1556 2618.2065 0.0000 0.0000 52334.3306 -109138.5994 300.7661 -161472.9299 -108765.9807 298.8618 -40.8489 -9.8260 762670.0327 -9.1853 -9.2803 PRESSURE: 2746600 -120.093 83.9324 -10.6823 83.9324 260.968 -271.601 -10.6826 -271.601 127.178 GPRESSURE: 2746600 -36.4757 12.2048 89.0025 167.469 193.638 -227.297 -10.0196 -289.253 212.673 PRESSAVG: 2746600 -1.00671 8.73859 6.55544 8.73859 -16.2966 -30.1033 6.55542 -30.1033 4.76756 GPRESSAVG: 2746600 -0.0950629 8.51915 6.9264 7.70428 -16.812 -31.5665 7.74758 -27.3712 4.52684 TIMING: 2746600 CPU: 8577.95, 0.003119/step Wall: 8577.95, 0.003119/step, 1.95232 hours remaining, 234.250000 MB of memory in use. ENERGY: 2746600 3969.0890 20584.8583 14466.6291 269.6852 -203283.4916 2776.4145 0.0000 0.0000 51856.5114 -109360.3041 298.0201 -161216.8155 -109002.2858 299.4607 89.3512 123.2784 761738.8218 -4.1786 -4.1267 PRESSURE: 2746800 -61.768 -80.95 59.422 -80.9503 -34.8659 -57.8075 59.4217 -57.8071 -218.892 GPRESSURE: 2746800 25.6114 99.8205 -20.438 -145.272 -73.3941 -96.0829 -93.8955 -184.542 -162.104 PRESSAVG: 2746800 60.4662 -12.2261 6.16378 -12.2261 -72.0032 -29.0296 6.16382 -29.0296 24.2478 GPRESSAVG: 2746800 60.0525 -10.9001 5.20677 -11.9081 -71.7951 -27.7191 7.0965 -31.2625 24.2819 TIMING: 2746800 CPU: 8578.57, 0.0031172/step Wall: 8578.57, 0.0031172/step, 1.95102 hours remaining, 234.250000 MB of memory in use. ENERGY: 2746800 4039.8882 20513.7503 14483.8482 241.3216 -203419.5409 2791.1296 0.0000 0.0000 52259.2092 -109090.3937 300.3344 -161349.6029 -108726.0464 299.5215 -105.1754 -69.9624 763289.9572 4.2369 4.1798 PRESSURE: 2747000 -67.1549 -53.8736 -127.806 -53.8743 158.828 -15.7477 -127.806 -15.7472 78.0426 GPRESSURE: 2747000 18.2078 -101.531 -122.242 -97.8121 145.642 53.595 -119.452 38.4715 102.589 PRESSAVG: 2747000 19.4202 -49.9352 -40.1024 -49.9353 -56.8011 16.1681 -40.1023 16.168 -18.4815 GPRESSAVG: 2747000 19.7419 -53.6966 -38.5687 -50.1459 -56.2757 15.6195 -43.8728 17.0243 -18.7827 TIMING: 2747000 CPU: 8579.2, 0.0031435/step Wall: 8579.2, 0.0031435/step, 1.96731 hours remaining, 234.250000 MB of memory in use. ENERGY: 2747000 3963.1433 20585.9113 14579.5721 247.8321 -203359.2489 2743.1377 0.0000 0.0000 52196.9817 -109042.6707 299.9768 -161239.6525 -108672.0758 299.7507 56.5718 88.8128 763107.0783 -18.6208 -18.4389 PRESSURE: 2747200 294.764 176.245 141.287 176.244 200.452 -105.832 141.286 -105.834 713.594 GPRESSURE: 2747200 328.039 127.225 117.108 133.638 261.978 -12.2995 77.2132 -68.5225 698.971 PRESSAVG: 2747200 37.2834 -24.4791 18.0809 -24.4791 -8.26788 36.6265 18.0809 36.6265 3.70311 GPRESSAVG: 2747200 37.1383 -23.0328 15.9519 -23.9134 -8.41302 36.8607 20.8989 36.8691 4.04346 TIMING: 2747200 CPU: 8579.83, 0.0031201/step Wall: 8579.83, 0.0031201/step, 1.95249 hours remaining, 234.250000 MB of memory in use. ENERGY: 2747200 3985.9665 20563.1181 14547.8723 286.2596 -203403.9283 2917.9691 0.0000 0.0000 52213.6803 -108889.0624 300.0727 -161102.7427 -108510.0265 300.2633 402.9368 429.6628 762484.8350 10.9062 10.9229 PRESSURE: 2747400 -432.955 -17.8212 -53.5714 -17.822 -257.305 86.0855 -53.5707 86.0845 -270.331 GPRESSURE: 2747400 -484.55 -48.7547 -42.1265 -82.4385 -136.997 86.3032 55.9262 34.0637 -248.386 PRESSAVG: 2747400 -1.14104 -9.82678 7.23289 -9.82681 -13.8864 -31.8799 7.2329 -31.8798 6.77936 GPRESSAVG: 2747400 -2.22087 -8.95339 8.5666 -10.0425 -12.6659 -32.328 7.22617 -32.0365 7.23548 TIMING: 2747400 CPU: 8580.45, 0.00310641/step Wall: 8580.45, 0.00310641/step, 1.94375 hours remaining, 234.250000 MB of memory in use. ENERGY: 2747400 4055.0370 20485.6175 14520.3832 257.4467 -203499.8725 2826.2843 0.0000 0.0000 52162.9976 -109192.1063 299.7815 -161355.1039 -108835.7493 299.7503 -320.1973 -289.9780 763777.2262 -2.7494 -2.5504 PRESSURE: 2747600 33.5658 32.6575 71.9058 32.6573 -157.051 52.3963 71.9059 52.3969 -289.759 GPRESSURE: 2747600 -9.60896 -67.068 97.3551 6.63916 -113.209 -21.8184 25.3352 -1.30994 -221.389 PRESSAVG: 2747600 -33.6767 -38.6468 7.79867 -38.6468 -10.7971 -68.449 7.79864 -68.449 24.0811 GPRESSAVG: 2747600 -33.167 -38.6523 7.10097 -39.5437 -11.098 -67.9261 7.41178 -68.1426 23.5963 TIMING: 2747600 CPU: 8581.08, 0.00316704/step Wall: 8581.08, 0.00316704/step, 1.98151 hours remaining, 234.250000 MB of memory in use. ENERGY: 2747600 4033.9396 20466.3207 14469.8364 247.1446 -203351.3100 2594.9142 0.0000 0.0000 52367.8691 -109171.2854 300.9589 -161539.1546 -108803.8174 300.1664 -137.7482 -114.7355 763939.4818 -6.7976 -6.8896 PRESSURE: 2747800 -293.187 -164.706 110.922 -164.706 -51.8748 -108.613 110.923 -108.613 188.846 GPRESSURE: 2747800 -273.149 -119.566 34.9882 -104.145 -13.7659 -143.903 65.8066 -15.2923 215.89 PRESSAVG: 2747800 38.273 -44.6366 10.2867 -44.6366 -5.77351 39.3715 10.2866 39.3715 -0.454216 GPRESSAVG: 2747800 38.1777 -42.9478 11.2207 -44.1729 -6.44581 38.6933 9.27384 38.9792 -0.159381 TIMING: 2747800 CPU: 8581.71, 0.00312648/step Wall: 8581.71, 0.00312648/step, 1.95596 hours remaining, 234.250000 MB of memory in use. ENERGY: 2747800 4219.1789 20296.4469 14499.0620 261.3937 -203398.5491 2684.9234 0.0000 0.0000 52085.8754 -109351.6689 299.3382 -161437.5443 -108995.5411 299.5627 -52.0719 -23.6748 762567.9648 10.6818 10.5242 PRESSURE: 2748000 -331.3 3.3191 -186.099 3.31861 -126.633 169.62 -186.099 169.621 -223.959 GPRESSURE: 2748000 -300.483 4.2376 -224.285 14.1368 -34.2786 212.118 -56.0745 127.078 -253.023 PRESSAVG: 2748000 -12.3595 8.13499 3.84175 8.13495 -2.44688 22.0122 3.84177 22.0122 25.5094 GPRESSAVG: 2748000 -11.7341 7.93144 2.98118 7.78728 -1.86736 22.1882 5.79585 22.7185 25.1353 TIMING: 2748000 CPU: 8582.33, 0.00311047/step Wall: 8582.33, 0.00311047/step, 1.94577 hours remaining, 234.250000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2748000 4027.6036 20656.7684 14524.6212 247.9326 -202969.8843 2285.2391 0.0000 0.0000 52040.3094 -109187.4100 299.0764 -161227.7194 -108826.0943 300.1064 -227.2974 -195.9284 763746.9502 3.5677 3.8446 PRESSURE: 2748200 -257.89 -172.203 -61.9477 -172.204 -277.321 194.569 -61.9471 194.568 -400.411 GPRESSURE: 2748200 -257.235 -118.367 -119.55 -151.886 -203.877 249.902 -45.1377 49.8042 -401.985 PRESSAVG: 2748200 -28.7429 7.83417 9.33527 7.83417 49.8024 18.3392 9.33531 18.3392 6.33585 GPRESSAVG: 2748200 -28.6325 6.32738 9.3077 8.17091 50.3289 18.7751 9.40608 15.4493 5.75195 TIMING: 2748200 CPU: 8582.95, 0.00311322/step Wall: 8582.95, 0.00311322/step, 1.94732 hours remaining, 234.250000 MB of memory in use. ENERGY: 2748200 4004.9944 20575.0597 14487.8551 256.6743 -202979.2523 2406.6203 0.0000 0.0000 52152.5155 -109095.5330 299.7212 -161248.0484 -108740.2752 300.4344 -311.8738 -287.6989 763072.0112 9.1318 9.1495 LDB: ============= START OF LOAD BALANCING ============== 8595.43 LDB: ============== END OF LOAD BALANCING =============== 8595.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8595.43 LDB: ============= START OF LOAD BALANCING ============== 8595.74 LDB: Largest compute 7075 load 0.029650 is 15.2% of average load 0.195093 LDB: Average compute 0.004393 is 2.3% of average load 0.195093 LDB: TIME 8595.75 LOAD: AVG 0.195093 MAX 0.214345 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.332 MB LDB: TIME 8595.75 LOAD: AVG 0.195093 MAX 0.214345 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.535 MB LDB: TIME 8595.75 LOAD: AVG 0.195093 MAX 0.214345 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.535 MB LDB: ============== END OF LOAD BALANCING =============== 8595.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8595.75 PRESSURE: 2748400 31.6647 -48.2358 -107.949 -48.2357 391.913 -277.486 -107.949 -277.486 224.933 GPRESSURE: 2748400 -19.228 -3.16341 -30.7226 -88.1068 420.6 -269.179 -137.941 -310.311 313.212 PRESSAVG: 2748400 -54.8415 -38.8147 13.1188 -38.8147 29.6882 -26.1663 13.1188 -26.1663 -10.4475 GPRESSAVG: 2748400 -54.5219 -39.73 14.266 -39.1951 28.1235 -27.8857 12.1909 -21.9819 -9.52226 TIMING: 2748400 CPU: 8583.59, 0.00317957/step Wall: 8583.59, 0.00317957/step, 1.98864 hours remaining, 235.910156 MB of memory in use. ENERGY: 2748400 3908.8148 20622.2011 14515.9755 249.3275 -203467.2661 3141.2603 0.0000 0.0000 52131.2634 -108898.4235 299.5991 -161029.6870 -108539.5227 299.7598 216.1705 238.1946 762918.7520 -11.8669 -11.9736 PRESSURE: 2748600 36.1996 -27.5339 195.437 -27.5341 137.475 -25.0017 195.436 -25.0019 165.035 GPRESSURE: 2748600 107.76 -51.1879 157.636 113.063 172.598 -9.06615 205.11 -7.29116 149.99 PRESSAVG: 2748600 -10.2422 -35.2344 57.0686 -35.2343 18.0934 -94.6934 57.0687 -94.6933 0.555898 GPRESSAVG: 2748600 -11.1049 -34.8985 53.1494 -34.1206 19.3864 -93.6953 58.1179 -97.3464 0.569917 TIMING: 2748600 CPU: 8584.21, 0.00309676/step Wall: 8584.21, 0.00309676/step, 1.93668 hours remaining, 235.910156 MB of memory in use. ENERGY: 2748600 3965.7929 20574.0112 14523.5928 258.1209 -203177.7346 2715.6522 0.0000 0.0000 52371.1581 -108769.4065 300.9778 -161140.5646 -108405.8194 299.9293 112.9033 143.4493 762424.6933 2.8024 2.9505 PRESSURE: 2748800 -294.957 -18.3576 196.945 -18.3575 350.143 -147.653 196.946 -147.653 -219.182 GPRESSURE: 2748800 -239.161 -182.08 177.073 -30.2867 287.153 -156.183 249.365 16.6876 -146.901 PRESSAVG: 2748800 16.4602 25.138 25.0245 25.1381 -40.5775 -19.8777 25.0245 -19.8776 -13.2653 GPRESSAVG: 2748800 17.521 24.7045 27.8406 23.5363 -42.3461 -18.6744 23.4043 -17.5247 -12.5465 TIMING: 2748800 CPU: 8584.83, 0.00310601/step Wall: 8584.83, 0.00310601/step, 1.94229 hours remaining, 235.910156 MB of memory in use. ENERGY: 2748800 4061.7984 20666.3914 14565.3799 250.3078 -203165.0236 2724.7760 0.0000 0.0000 52306.1048 -108590.2653 300.6039 -160896.3701 -108218.2164 300.7642 -54.6655 -32.9693 762894.2736 -12.4609 -12.4572 PRESSURE: 2749000 -501.03 -45.3102 -58.1878 -45.3099 -345.254 108.228 -58.1872 108.227 -378.31 GPRESSURE: 2749000 -409.953 -27.302 -7.57428 21.0126 -350.985 29.8889 -126.849 -84.2241 -369.883 PRESSAVG: 2749000 -38.8498 -8.02401 7.06324 -8.02399 34.4088 -18.2525 7.06324 -18.2525 -10.5635 GPRESSAVG: 2749000 -39.4149 -8.35512 5.29812 -7.42178 36.0929 -20.9083 8.30853 -18.9043 -12.1526 TIMING: 2749000 CPU: 8585.45, 0.00310949/step Wall: 8585.45, 0.00310949/step, 1.9443 hours remaining, 235.910156 MB of memory in use. ENERGY: 2749000 3972.9930 20584.0144 14572.1037 246.5794 -202691.2925 2270.0602 0.0000 0.0000 52227.4144 -108818.1275 300.1517 -161045.5418 -108458.9216 300.5130 -408.1982 -376.9403 764400.4827 -5.0015 -5.1582 PRESSURE: 2749200 -339.067 178.11 -105.442 178.111 -121.117 -137.499 -105.443 -137.499 -117.014 GPRESSURE: 2749200 -275.865 194.078 -175.392 265.034 -68.967 -87.1858 41.2133 -207.389 -138.718 PRESSAVG: 2749200 -24.8705 8.38758 24.5263 8.38755 41.8902 -75.8773 24.5264 -75.8773 -1.64084 GPRESSAVG: 2749200 -24.9784 10.2748 25.9887 9.00408 41.1854 -74.7282 21.462 -75.5141 -1.98741 TIMING: 2749200 CPU: 8586.07, 0.0031097/step Wall: 8586.07, 0.0031097/step, 1.94425 hours remaining, 235.910156 MB of memory in use. ENERGY: 2749200 3980.2240 20296.4736 14604.7115 240.4652 -202639.8046 2296.8361 0.0000 0.0000 52461.4621 -108759.6321 301.4967 -161221.0942 -108382.0875 300.1214 -192.3992 -161.1834 761551.2030 5.1263 4.7399 PRESSURE: 2749400 148.49 -237.054 -40.8667 -237.054 255.766 83.8877 -40.8674 83.8874 557.647 GPRESSURE: 2749400 155.912 -166.068 0.437248 -156.186 332.954 63.607 47.5005 -4.55388 552.049 PRESSAVG: 2749400 -25.5284 18.3655 -10.4589 18.3655 46.9977 -45.147 -10.4589 -45.147 8.71431 GPRESSAVG: 2749400 -25.521 16.7595 -10.6888 17.7965 47.0914 -46.0769 -7.88449 -46.5913 8.77723 TIMING: 2749400 CPU: 8586.7, 0.00311721/step Wall: 8586.7, 0.00311721/step, 1.94878 hours remaining, 235.910156 MB of memory in use. ENERGY: 2749400 4046.5286 20308.5939 14506.9860 253.5136 -203495.8021 2969.2683 0.0000 0.0000 52213.3912 -109197.5204 300.0711 -161410.9116 -108829.3867 299.8171 320.6342 346.9717 762935.7719 10.0612 10.1159 PRESSURE: 2749600 -426.146 97.9526 -119.052 97.9539 -128.591 -29.5232 -119.053 -29.5236 -554.282 GPRESSURE: 2749600 -387.082 111.969 -133.41 75.3678 -118.502 28.6701 -25.9146 37.7367 -518.815 PRESSAVG: 2749600 -15.6563 -39.6945 1.48191 -39.6945 10.0621 5.4585 1.4819 5.45851 0.428267 GPRESSAVG: 2749600 -15.9936 -39.3579 3.9961 -38.9673 9.74502 6.48079 1.96126 5.68157 1.22506 TIMING: 2749600 CPU: 8587.32, 0.00313327/step Wall: 8587.32, 0.00313327/step, 1.95864 hours remaining, 235.910156 MB of memory in use. ENERGY: 2749600 3924.6383 20529.1566 14478.7962 266.6676 -202688.4134 2370.1731 0.0000 0.0000 52032.1965 -109086.7851 299.0297 -161118.9815 -108728.3434 299.1076 -369.6730 -341.4663 763051.8114 -1.7220 -1.6745 PRESSURE: 2749800 31.3503 330.149 106.608 330.149 74.9408 162.97 106.608 162.97 -739.873 GPRESSURE: 2749800 46.437 291.007 72.3988 181.554 80.8143 106.46 -90.3271 209.735 -683.129 PRESSAVG: 2749800 -59.7128 27.9294 5.46791 27.9294 87.1791 37.0961 5.46792 37.0961 -10.1505 GPRESSAVG: 2749800 -59.5239 28.45 4.06223 27.3014 87.985 37.9854 2.92672 37.6794 -11.0221 TIMING: 2749800 CPU: 8587.95, 0.0031494/step Wall: 8587.95, 0.0031494/step, 1.96855 hours remaining, 235.910156 MB of memory in use. ENERGY: 2749800 3978.2548 20436.4622 14550.6110 226.9091 -203197.3906 2758.9660 0.0000 0.0000 51972.2694 -109273.9182 298.6853 -161246.1875 -108903.9193 299.5828 -211.1941 -185.2927 762951.4768 5.7719 5.8130 PRESSURE: 2750000 -182.425 -201.175 72.3045 -201.175 -489.851 -97.8106 72.3036 -97.8097 122.889 GPRESSURE: 2750000 -218.065 -123.581 157.054 -160.64 -482.922 -134.598 65.7444 -151.257 231.36 PRESSAVG: 2750000 18.5829 48.5964 -87.1143 48.5964 14.3877 39.4485 -87.1143 39.4485 -4.27896 GPRESSAVG: 2750000 19.1569 47.6852 -87.628 47.7502 14.6193 39.9105 -86.0028 39.1074 -4.83296 TIMING: 2750000 CPU: 8588.59, 0.00318418/step Wall: 8588.59, 0.00318418/step, 1.99011 hours remaining, 235.910156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2750000 3941.1551 20711.5711 14428.7129 245.4380 -202914.8275 2389.5329 0.0000 0.0000 52052.0770 -109146.3405 299.1440 -161198.4175 -108783.9516 299.1891 -183.1293 -156.5424 762867.7164 9.5639 9.6477 PRESSURE: 2750200 -71.6017 46.7966 51.3069 46.7967 -130.526 70.4486 51.3069 70.4484 44.8798 GPRESSURE: 2750200 -10.4029 96.9546 81.2451 182.519 -80.3206 192.652 33.5027 24.8698 32.8928 PRESSAVG: 2750200 59.1369 38.0645 67.0491 38.0645 -20.9887 -5.9553 67.049 -5.9553 -27.5334 GPRESSAVG: 2750200 58.5759 39.1077 66.9213 36.5806 -20.8642 -5.87517 66.6403 -6.36012 -27.2841 TIMING: 2750200 CPU: 8589.22, 0.0031588/step Wall: 8589.22, 0.0031588/step, 1.97408 hours remaining, 235.910156 MB of memory in use. ENERGY: 2750200 3980.4757 20371.7066 14496.2603 263.4035 -203067.1976 2533.2756 0.0000 0.0000 52217.0706 -109205.0053 300.0922 -161422.0759 -108829.9576 299.7224 -52.4160 -19.2769 762135.5744 3.5383 3.4759 PRESSURE: 2750400 -193.785 81.0044 -101.172 81.0048 -278.73 5.62895 -101.172 5.63026 -160.912 GPRESSURE: 2750400 -149.346 59.7678 -108.29 67.7035 -211.117 0.311926 -83.0106 -154.987 -203.163 PRESSAVG: 2750400 -15.4874 -22.2846 25.8121 -22.2845 -9.51864 -0.359883 25.8121 -0.359938 -1.93397 GPRESSAVG: 2750400 -15.428 -21.9196 25.2145 -23.0122 -10.3176 -0.4936 25.5855 0.394039 -1.03344 TIMING: 2750400 CPU: 8589.85, 0.00316729/step Wall: 8589.85, 0.00316729/step, 1.97921 hours remaining, 235.910156 MB of memory in use. ENERGY: 2750400 4007.9176 20671.2996 14512.6841 247.9990 -202817.6879 2309.2936 0.0000 0.0000 52112.1823 -108956.3117 299.4894 -161068.4940 -108602.5228 299.7596 -211.1425 -187.8755 762966.2505 -8.9800 -8.9263 PRESSURE: 2750600 -434.27 -102.053 123.648 -102.053 -173.848 60.7852 123.648 60.7854 -314.613 GPRESSURE: 2750600 -371.86 -167.688 23.3115 -69.8329 -153.046 78.119 186.159 194.869 -287.888 PRESSAVG: 2750600 20.6094 -39.8358 -4.24131 -39.8358 8.16945 34.8541 -4.24122 34.8541 15.4096 GPRESSAVG: 2750600 20.8441 -39.9195 -3.65326 -37.5434 7.43115 33.8827 -4.2836 34.3699 16.128 TIMING: 2750600 CPU: 8590.49, 0.00317834/step Wall: 8590.49, 0.00317834/step, 1.98593 hours remaining, 235.910156 MB of memory in use. ENERGY: 2750600 4029.9814 20510.4839 14470.2668 249.6898 -202783.5954 2337.1333 0.0000 0.0000 52400.4445 -108785.5957 301.1461 -161186.0402 -108417.2695 300.3874 -307.5772 -270.9313 762919.9121 14.7295 14.8011 PRESSURE: 2750800 -21.1195 -201.051 88.134 -201.051 84.782 102.475 88.1343 102.473 -379.481 GPRESSURE: 2750800 -44.5612 -159.911 46.716 -223.561 144.437 142.598 84.7038 57.2477 -328.267 PRESSAVG: 2750800 13.8297 -28.5317 11.7258 -28.5317 -31.3288 20.8615 11.7258 20.8615 1.80586 GPRESSAVG: 2750800 13.7541 -29.731 11.866 -28.8031 -31.2688 20.7086 11.2791 21.7223 1.62749 TIMING: 2750800 CPU: 8591.12, 0.00316714/step Wall: 8591.12, 0.00316715/step, 1.97876 hours remaining, 235.910156 MB of memory in use. ENERGY: 2750800 3972.8707 20528.2510 14453.1478 245.9325 -202615.5430 2389.2944 0.0000 0.0000 52198.4332 -108827.6134 299.9851 -161026.0466 -108469.0151 300.1852 -105.2728 -76.1304 762561.1085 -5.2311 -5.2957 PRESSURE: 2751000 -53.739 -2.45536 86.8859 -2.45555 -326.208 168.871 86.8856 168.871 28.017 GPRESSURE: 2751000 -115.809 -30.5063 -0.89833 -54.1684 -253.473 104.21 54.5154 108.192 96.9127 PRESSAVG: 2751000 -23.9083 -27.8375 -2.08569 -27.8375 59.0761 -24.5703 -2.08567 -24.5704 30.3792 GPRESSAVG: 2751000 -23.773 -25.3918 -2.29271 -30.3415 58.8556 -24.2095 -2.78248 -25.6883 30.9559 TIMING: 2751000 CPU: 8591.75, 0.00313549/step Wall: 8591.75, 0.00313549/step, 1.95881 hours remaining, 235.910156 MB of memory in use. ENERGY: 2751000 3990.9750 20499.4417 14499.1192 232.0326 -203171.5022 2641.0057 0.0000 0.0000 52171.1048 -109137.8232 299.8281 -161308.9280 -108775.0525 299.6947 -117.3099 -90.7901 762250.4257 21.8490 22.0129 PRESSURE: 2751200 252.483 -167.392 -234.881 -167.393 -84.032 -120.226 -234.881 -120.227 -76.9397 GPRESSURE: 2751200 197.527 -185.373 -243.523 -96.9624 24.0777 -66.1076 -216.398 -66.8006 -51.981 PRESSAVG: 2751200 6.57224 -1.63583 11.4907 -1.63588 25.1338 23.1807 11.4907 23.1806 4.38864 GPRESSAVG: 2751200 6.65135 -1.83044 12.9471 1.17498 26.2869 22.9796 11.2458 25.7671 2.93356 TIMING: 2751200 CPU: 8592.38, 0.00315342/step Wall: 8592.38, 0.00315342/step, 1.96983 hours remaining, 235.910156 MB of memory in use. ENERGY: 2751200 4023.8677 20721.9015 14458.3415 236.6741 -203206.0781 2462.3150 0.0000 0.0000 52002.7517 -109300.2265 298.8605 -161302.9782 -108946.8971 299.8369 30.5039 56.5413 760810.7272 12.0315 11.9573 PRESSURE: 2751400 -131.694 -77.0603 -102.881 -77.0603 -109.741 -135.646 -102.882 -135.647 -385.771 GPRESSURE: 2751400 -83.268 -85.1263 -68.6328 -216.465 -114.568 -119.592 -59.1435 -19.3962 -324.667 PRESSAVG: 2751400 -3.98653 -33.6572 -20.5665 -33.6572 40.4547 36.5665 -20.5665 36.5665 12.4942 GPRESSAVG: 2751400 -5.4125 -34.7241 -23.6646 -34.2273 40.413 38.1008 -18.376 34.9003 13.985 TIMING: 2751400 CPU: 8593.01, 0.00316276/step Wall: 8593.01, 0.00316276/step, 1.9755 hours remaining, 235.910156 MB of memory in use. ENERGY: 2751400 4025.5669 20423.8084 14449.3239 212.7917 -202947.5169 2298.6277 0.0000 0.0000 52188.4604 -109348.9379 299.9278 -161537.3983 -108980.7167 298.9040 -209.0688 -174.1678 761467.3467 16.3208 16.3285 PRESSURE: 2751600 -75.9576 4.74666 -16.498 4.74679 -132.325 107.985 -16.4981 107.985 -313.783 GPRESSURE: 2751600 -11.2473 -70.8722 -30.1721 47.6001 -115.643 93.0998 -9.72692 10.0628 -297.609 PRESSAVG: 2751600 12.1037 -32.0644 -39.5221 -32.0644 17.5639 41.691 -39.5221 41.691 -10.392 GPRESSAVG: 2751600 13.2069 -30.9454 -38.2373 -33.721 18.1667 40.0414 -39.2103 41.2132 -11.7636 TIMING: 2751600 CPU: 8593.64, 0.0031539/step Wall: 8593.64, 0.0031539/step, 1.96979 hours remaining, 235.910156 MB of memory in use. ENERGY: 2751600 4006.0452 20434.3072 14446.7020 258.0294 -203232.8160 2660.5833 0.0000 0.0000 51853.0251 -109574.1238 298.0000 -161427.1489 -109212.2138 298.9641 -174.0220 -141.4997 762022.9015 6.4252 6.5366 PRESSURE: 2751800 -75.0246 -26.874 -29.5478 -26.8737 83.2487 -104.139 -29.5475 -104.138 -265.07 GPRESSURE: 2751800 -41.8081 -66.5203 18.6474 36.475 134.015 29.3198 96.4092 -171.899 -259.367 PRESSAVG: 2751800 -11.745 -54.18 61.2293 -54.1799 51.5447 17.62 61.2293 17.62 -10.1271 GPRESSAVG: 2751800 -12.3934 -56.5308 62.1324 -52.5203 51.1573 19.4145 62.6807 18.0224 -9.23092 TIMING: 2751800 CPU: 8594.28, 0.00317244/step Wall: 8594.28, 0.00317244/step, 1.98119 hours remaining, 235.910156 MB of memory in use. ENERGY: 2751800 3956.2900 20591.4909 14481.6501 242.3707 -203387.8732 2514.0440 0.0000 0.0000 52008.6595 -109593.3681 298.8945 -161602.0275 -109225.2188 298.9162 -85.6151 -55.7200 761680.2430 9.8909 9.8443 PRESSURE: 2752000 -317.792 -59.1646 -12.9855 -59.1645 118.785 253.25 -12.986 253.25 113.693 GPRESSURE: 2752000 -260.835 -53.2734 -27.5646 -22.753 119.241 232.672 -46.0783 249.742 138.499 PRESSAVG: 2752000 -37.5012 -25.7288 27.7033 -25.7288 42.7335 62.9443 27.7032 62.9444 -7.50371 GPRESSAVG: 2752000 -37.2218 -25.0659 26.7683 -26.1364 41.7758 62.5874 25.6495 65.1264 -6.49027 TIMING: 2752000 CPU: 8594.91, 0.00315495/step Wall: 8594.91, 0.00315495/step, 1.97009 hours remaining, 235.910156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2752000 3990.5381 20635.5662 14489.9677 249.8741 -203205.4671 2520.4737 0.0000 0.0000 52051.8018 -109267.2455 299.1424 -161319.0473 -108908.1831 298.6658 -28.4379 -1.0317 762254.9507 -0.7572 -0.6454 PRESSURE: 2752200 350.229 74.7058 -177.865 74.7069 160.051 -67.1765 -177.865 -67.1754 73.0528 GPRESSURE: 2752200 331.636 51.9992 -143.85 100.838 192.824 -83.1257 -233.023 -118.089 137.422 PRESSAVG: 2752200 25.3847 9.6891 12.1677 9.68916 4.62811 89.5839 12.1677 89.5839 4.73114 GPRESSAVG: 2752200 24.8245 10.8754 12.9599 8.47003 6.55721 89.3215 11.0874 89.6854 3.87398 TIMING: 2752200 CPU: 8595.54, 0.00315355/step Wall: 8595.54, 0.00315355/step, 1.96904 hours remaining, 235.910156 MB of memory in use. ENERGY: 2752200 3903.2865 20578.1929 14440.8464 242.2186 -203490.6334 2873.4531 0.0000 0.0000 51962.4254 -109490.2106 298.6288 -161452.6359 -109129.6919 298.9374 194.4444 220.6274 760628.7980 11.5813 11.7519 LDB: ============= START OF LOAD BALANCING ============== 8608.02 LDB: ============== END OF LOAD BALANCING =============== 8608.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8608.03 LDB: ============= START OF LOAD BALANCING ============== 8608.35 LDB: Largest compute 7064 load 0.029819 is 15.3% of average load 0.195101 LDB: Average compute 0.004389 is 2.2% of average load 0.195101 LDB: TIME 8608.35 LOAD: AVG 0.195101 MAX 0.214853 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.555 MB LDB: TIME 8608.35 LOAD: AVG 0.195101 MAX 0.214853 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.555 MB LDB: TIME 8608.35 LOAD: AVG 0.195101 MAX 0.214853 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.555 MB LDB: ============== END OF LOAD BALANCING =============== 8608.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8608.36 PRESSURE: 2752400 -601.506 -113.478 241.922 -113.477 163.675 -70.204 241.922 -70.2039 -22.845 GPRESSURE: 2752400 -372.971 -225.256 203.925 -38.0342 84.5266 46.372 314.183 -117.199 -70.2523 PRESSAVG: 2752400 -84.4471 -30.6292 3.69924 -30.6292 80.5612 44.3077 3.69924 44.3076 19.3567 GPRESSAVG: 2752400 -82.7874 -31.3842 2.80263 -29.1477 79.4598 44.5113 5.62453 42.7018 19.0971 TIMING: 2752400 CPU: 8596.19, 0.0032701/step Wall: 8596.19, 0.0032701/step, 2.04163 hours remaining, 233.742188 MB of memory in use. ENERGY: 2752400 3996.4122 20722.2637 14440.7389 247.6260 -203189.8092 2561.9101 0.0000 0.0000 51906.8327 -109314.0256 298.3093 -161220.8583 -108958.6711 298.9636 -153.5586 -119.5657 760655.3492 5.1570 5.2565 PRESSURE: 2752600 247.887 59.0283 36.4896 59.0292 130.122 -15.0272 36.49 -15.0273 117.195 GPRESSURE: 2752600 273.222 54.0452 20.707 20.2597 126.861 -8.20872 76.3344 -57.5916 175.352 PRESSAVG: 2752600 6.64451 -78.2101 6.03399 -78.2101 13.0779 -15.4819 6.03398 -15.4819 4.9268 GPRESSAVG: 2752600 6.3284 -80.7492 6.57009 -79.1438 13.0152 -15.0003 5.30116 -14.7006 5.31049 TIMING: 2752600 CPU: 8596.82, 0.00314249/step Wall: 8596.82, 0.00314249/step, 1.96179 hours remaining, 233.941406 MB of memory in use. ENERGY: 2752600 4067.0165 20596.9535 14569.6813 264.2010 -203623.3862 2657.6671 0.0000 0.0000 52006.1952 -109461.6716 298.8803 -161467.8668 -109098.0147 299.0315 165.0681 191.8115 758116.6832 8.2164 8.2180 PRESSURE: 2752800 487.035 25.4318 -82.5381 25.432 774.761 191.483 -82.5383 191.483 785.094 GPRESSURE: 2752800 543.385 76.8081 -9.19568 23.6694 756.381 141.437 -121.848 98.9076 809.565 PRESSAVG: 2752800 -7.18554 -57.559 44.7881 -57.559 27.9356 -7.12422 44.7881 -7.12415 -21.2836 GPRESSAVG: 2752800 -7.47923 -55.0044 44.5478 -57.4049 28.3453 -7.90366 44.6031 -8.80783 -21.166 TIMING: 2752800 CPU: 8597.45, 0.00313312/step Wall: 8597.45, 0.00313312/step, 1.95577 hours remaining, 233.941406 MB of memory in use. ENERGY: 2752800 4032.6665 20554.2099 14547.7038 240.5739 -204030.2492 3308.8099 0.0000 0.0000 51990.9869 -109355.2983 298.7929 -161346.2852 -108989.3246 299.0651 682.2968 703.1103 760590.8633 -0.1778 -0.1000 PRESSURE: 2753000 -135.075 46.3898 -78.6195 46.3905 -127.309 -35.3335 -78.6199 -35.3327 143.61 GPRESSURE: 2753000 -96.8084 26.8845 -123.505 46.6694 -67.9834 -73.9984 -109.412 18.6657 127.011 PRESSAVG: 2753000 0.149273 -33.3112 1.26082 -33.3111 -19.9877 51.1649 1.26083 51.1648 19.0223 GPRESSAVG: 2753000 0.77561 -33.859 0.969391 -33.3235 -19.9179 51.4655 0.257151 52.5033 17.889 TIMING: 2753000 CPU: 8598.08, 0.00314292/step Wall: 8598.08, 0.00314292/step, 1.96171 hours remaining, 233.941406 MB of memory in use. ENERGY: 2753000 4056.2527 20526.8604 14411.7090 241.7859 -203448.6749 2736.0456 0.0000 0.0000 52049.1883 -109426.8330 299.1274 -161476.0213 -109059.7816 299.5412 -39.5912 -12.5937 761559.2151 -0.2721 -0.4178 PRESSURE: 2753200 17.9559 69.9126 -13.1753 69.913 37.2018 9.18825 -13.1761 9.18925 37.7904 GPRESSURE: 2753200 66.3988 49.5796 83.7513 166.713 34.964 38.5148 36.3476 -3.79178 68.041 PRESSAVG: 2753200 3.89823 10.3081 14.8379 10.3081 27.9552 36.4674 14.8379 36.4674 -22.0988 GPRESSAVG: 2753200 2.79749 11.0509 14.9253 11.279 27.2642 36.8725 16.1548 36.8855 -20.3953 TIMING: 2753200 CPU: 8598.71, 0.00315531/step Wall: 8598.71, 0.00315531/step, 1.96926 hours remaining, 233.941406 MB of memory in use. ENERGY: 2753200 3959.3976 20745.9734 14454.9981 260.0988 -203646.1158 2775.9616 0.0000 0.0000 52142.2907 -109307.3955 299.6625 -161449.6861 -108948.2464 298.9731 30.9827 56.4679 761167.3052 3.2515 3.2221 PRESSURE: 2753400 194.177 -83.8767 -53.6275 -83.8774 -8.54436 -29.0443 -53.6274 -29.0441 -160.638 GPRESSURE: 2753400 137.452 -156.437 -110.188 74.3288 95.5565 10.285 0.275878 84.6172 -124.138 PRESSAVG: 2753400 17.0194 -3.21839 -15.2055 -3.21832 -28.4203 2.09189 -15.2055 2.09192 8.57307 GPRESSAVG: 2753400 18.2777 -2.85546 -14.082 -3.23684 -27.8774 1.34829 -17.5908 1.77884 7.54875 TIMING: 2753400 CPU: 8599.34, 0.00314887/step Wall: 8599.34, 0.00314887/step, 1.96507 hours remaining, 233.941406 MB of memory in use. ENERGY: 2753400 4015.1739 20439.3091 14505.9394 246.2467 -203368.8931 2717.4644 0.0000 0.0000 52089.2733 -109355.4863 299.3578 -161444.7596 -108997.0130 299.1818 8.3314 36.2901 763335.8098 -0.9426 -0.6836 PRESSURE: 2753600 143.695 116.457 1.43475 116.458 -297.735 9.77269 1.43404 9.77107 129.539 GPRESSURE: 2753600 125.199 114.062 14.8032 8.80294 -202.987 -24.456 -23.8213 -12.5015 133.612 PRESSAVG: 2753600 49.2835 -25.3114 -21.9405 -25.3113 -19.7259 58.395 -21.9405 58.3951 5.0325 GPRESSAVG: 2753600 48.4076 -26.2706 -23.9761 -25.3489 -19.487 58.1271 -19.8551 59.0709 6.03047 TIMING: 2753600 CPU: 8599.97, 0.0031345/step Wall: 8599.97, 0.0031345/step, 1.95593 hours remaining, 233.941406 MB of memory in use. ENERGY: 2753600 3937.8953 20602.4491 14519.5161 252.5058 -203441.1393 2790.4110 0.0000 0.0000 51959.2205 -109379.1415 298.6104 -161338.3620 -109019.8241 299.1281 -8.1670 18.6079 761587.2350 11.5300 11.6503 PRESSURE: 2753800 -91.5328 -105.587 -51.8777 -105.587 46.0633 41.1221 -51.8769 41.1225 -17.341 GPRESSURE: 2753800 -41.7321 -84.6865 -87.3577 -80.2819 52.1465 106.926 76.8734 -42.0142 24.3526 PRESSAVG: 2753800 -47.9819 -21.2184 -10.5788 -21.2184 34.6653 26.6152 -10.5789 26.6153 23.3165 GPRESSAVG: 2753800 -46.5618 -21.5318 -9.68884 -21.7694 33.9803 26.0821 -11.7444 26.324 22.6273 TIMING: 2753800 CPU: 8600.6, 0.00316472/step Wall: 8600.6, 0.00316472/step, 1.97461 hours remaining, 233.941406 MB of memory in use. ENERGY: 2753800 3991.6641 20518.3151 14442.0172 229.1641 -203239.2503 2768.8700 0.0000 0.0000 52121.5783 -109167.6415 299.5434 -161289.2198 -108807.8198 299.0300 -20.9368 11.5890 764502.9121 3.3333 3.3486 PRESSURE: 2754000 -379.133 -80.6833 -2.6093 -80.6832 -86.6989 -161.251 -2.60818 -161.251 -9.08715 GPRESSURE: 2754000 -419.18 -48.6716 -49.5058 -49.1334 42.369 -75.7669 -5.07091 -201.796 -10.8279 PRESSAVG: 2754000 -15.8664 -67.0432 -35.8335 -67.0432 5.89943 -8.6367 -35.8335 -8.6367 4.30386 GPRESSAVG: 2754000 -16.915 -64.8988 -37.6074 -67.2957 7.90435 -8.63078 -35.4623 -7.19435 3.36307 TIMING: 2754000 CPU: 8601.23, 0.00316954/step Wall: 8601.23, 0.00316954/step, 1.97744 hours remaining, 233.941406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2754000 4067.6934 20548.2023 14433.8086 266.5051 -203039.1354 2511.1618 0.0000 0.0000 52041.5354 -109170.2289 299.0834 -161211.7643 -108801.0646 299.3319 -158.3063 -129.2128 762854.5590 -1.8877 -1.8825 PRESSURE: 2754200 139.228 -26.5495 132.249 -26.5502 -8.81966 41.2138 132.249 41.2131 -297.997 GPRESSURE: 2754200 142.073 16.6828 196.674 -77.4388 -5.78986 76.8936 57.9544 138.227 -188.35 PRESSAVG: 2754200 5.6162 -14.5629 -10.4936 -14.563 -40.4228 -9.15422 -10.4936 -9.15428 -22.7397 GPRESSAVG: 2754200 5.46267 -15.3112 -8.36718 -11.993 -40.7123 -9.05916 -12.7247 -9.68493 -21.9113 TIMING: 2754200 CPU: 8601.86, 0.00316034/step Wall: 8601.86, 0.00316034/step, 1.97153 hours remaining, 233.941406 MB of memory in use. ENERGY: 2754200 4012.7180 20608.8927 14472.0686 248.8899 -203555.2222 2728.1573 0.0000 0.0000 52266.4155 -109218.0801 300.3758 -161484.4956 -108875.5910 299.5321 -55.8629 -17.3557 761251.4039 -19.1821 -19.0536 PRESSURE: 2754400 -74.3368 -51.0107 109.008 -51.0105 30.8357 -108.936 109.008 -108.936 -219.056 GPRESSURE: 2754400 6.51001 -41.9685 71.8169 -40.659 -29.0487 -101.929 196.873 -122.384 -143.228 PRESSAVG: 2754400 22.4266 -28.4747 17.3249 -28.4747 -8.61854 16.1974 17.3248 16.1974 -8.3042 GPRESSAVG: 2754400 22.9912 -28.6248 16.2544 -30.7748 -9.25159 16.8833 18.792 15.0176 -7.87321 TIMING: 2754400 CPU: 8602.5, 0.00316037/step Wall: 8602.5, 0.00316037/step, 1.97137 hours remaining, 233.941406 MB of memory in use. ENERGY: 2754400 3954.4041 20561.4513 14473.8443 226.3710 -203028.2882 2411.7004 0.0000 0.0000 52232.1896 -109168.3276 300.1791 -161400.5172 -108802.0047 299.6127 -87.5189 -55.2557 760381.0526 1.8346 1.9555 PRESSURE: 2754600 -113.203 -7.64459 14.3843 -7.64535 -5.39727 131.195 14.3846 131.195 268.127 GPRESSURE: 2754600 -127.193 47.6081 58.8322 33.4374 86.9307 175.547 51.1568 17.5309 271.821 PRESSAVG: 2754600 10.9089 20.2468 -13.199 20.2468 -10.8009 9.75607 -13.199 9.75618 3.0244 GPRESSAVG: 2754600 10.968 19.7372 -13.6638 18.7504 -11.1218 9.17122 -13.0486 8.31127 2.99772 TIMING: 2754600 CPU: 8603.13, 0.00314764/step Wall: 8603.13, 0.00314764/step, 1.96326 hours remaining, 233.941406 MB of memory in use. ENERGY: 2754600 3949.4054 20491.6677 14444.2795 240.1505 -202976.1075 2719.8853 0.0000 0.0000 52027.4117 -109103.3073 299.0022 -161130.7190 -108740.4707 299.8957 49.8423 77.1862 761990.9993 1.0441 0.9480 PRESSURE: 2754800 -74.3751 151.567 -104.726 151.567 -213.643 -153.934 -104.726 -153.934 95.1758 GPRESSURE: 2754800 -53.8717 144.729 -138.188 166.32 -132.714 -132.348 30.772 17.0501 84.822 PRESSAVG: 2754800 9.23194 -14.0232 -36.675 -14.0232 -36.856 82.0978 -36.675 82.0978 -25.2861 GPRESSAVG: 2754800 8.63108 -15.231 -37.7888 -12.441 -36.3308 80.2152 -34.9506 85.6708 -25.3029 TIMING: 2754800 CPU: 8603.76, 0.00314354/step Wall: 8603.76, 0.00314354/step, 1.96052 hours remaining, 233.941406 MB of memory in use. ENERGY: 2754800 4014.0082 20534.3411 14436.8617 249.9506 -203044.0389 2606.9212 0.0000 0.0000 52073.5526 -109128.4035 299.2674 -161201.9561 -108764.4869 299.5438 -64.2806 -33.9213 763013.9558 -17.6367 -17.6675 PRESSURE: 2755000 -9.26254 -53.7587 -112.892 -53.7584 -49.0998 -196.048 -112.891 -196.048 438.82 GPRESSURE: 2755000 -12.1516 -86.2855 -167.55 60.1199 -44.7868 -113.136 -99.9985 -167.062 518.776 PRESSAVG: 2755000 -10.3576 23.998 -34.7797 23.998 9.9384 -19.957 -34.7798 -19.957 13.9118 GPRESSAVG: 2755000 -11.0767 25.0341 -33.8537 25.3254 9.44522 -18.5922 -36.6904 -21.2693 15.5559 TIMING: 2755000 CPU: 8604.39, 0.00315158/step Wall: 8604.39, 0.00315158/step, 1.96536 hours remaining, 233.941406 MB of memory in use. ENERGY: 2755000 3901.7373 20454.9125 14490.5558 235.4528 -203168.6453 2701.0987 0.0000 0.0000 52220.7517 -109164.1363 300.1134 -161384.8880 -108801.9285 299.3468 126.8193 153.9460 762640.9182 4.4975 4.6415 PRESSURE: 2755200 236.923 -81.9838 -21.8603 -81.9831 446.633 251.7 -21.8597 251.699 530.099 GPRESSURE: 2755200 314.806 -194.965 6.01772 -7.42192 365.347 229.743 -98.6173 241.386 629.263 PRESSAVG: 2755200 -4.17511 -14.1675 -77.99 -14.1675 -4.01974 5.80686 -77.9899 5.80687 1.05394 GPRESSAVG: 2755200 -3.37446 -13.8728 -77.6489 -14.3226 -2.55971 6.62844 -75.8444 6.97266 -1.30567 TIMING: 2755200 CPU: 8605.01, 0.00311553/step Wall: 8605.01, 0.00311553/step, 1.94271 hours remaining, 233.941406 MB of memory in use. ENERGY: 2755200 3873.7976 20509.7319 14466.6453 234.0797 -203128.9715 2839.0429 0.0000 0.0000 52174.5593 -109031.1148 299.8479 -161205.6741 -108667.2359 299.2334 404.5516 436.4721 761893.3941 -2.3803 -2.4133 PRESSURE: 2755400 -115.88 -303.293 -257.888 -303.293 86.078 10.113 -257.888 10.1122 111.818 GPRESSURE: 2755400 -116.51 -243.951 -242.674 -277.995 142.588 -53.7063 -189.754 -56.6105 156.043 PRESSAVG: 2755400 -43.7239 -58.1581 -7.77355 -58.1581 28.6936 6.35166 -7.7736 6.35163 -2.50637 GPRESSAVG: 2755400 -44.3182 -58.4663 -8.56845 -58.4747 28.2845 6.4106 -7.97184 4.55515 -1.55365 TIMING: 2755400 CPU: 8605.63, 0.00312893/step Wall: 8605.63, 0.00312893/step, 1.95089 hours remaining, 233.941406 MB of memory in use. ENERGY: 2755400 3927.9054 20467.7939 14414.1688 259.7746 -202822.3228 2547.1662 0.0000 0.0000 52330.4642 -108875.0498 300.7439 -161205.5139 -108508.5110 299.2895 27.3386 60.7069 763754.5726 -5.8456 -5.8624 PRESSURE: 2755600 94.9205 -95.6052 -29.1477 -95.6047 35.1471 179.74 -29.1479 179.739 322.454 GPRESSURE: 2755600 56.1221 -122.961 -76.7465 -102.779 80.5801 66.7153 -9.64887 142.714 393.155 PRESSAVG: 2755600 -39.0324 -32.4268 -24.5637 -32.4267 24.5541 -32.7343 -24.5637 -32.7343 2.12918 GPRESSAVG: 2755600 -37.782 -32.2371 -22.5462 -31.0957 23.4626 -33.6977 -27.0911 -31.0582 1.7091 TIMING: 2755600 CPU: 8606.26, 0.00314115/step Wall: 8606.26, 0.00314115/step, 1.95833 hours remaining, 233.941406 MB of memory in use. ENERGY: 2755600 4017.6502 20425.2347 14456.2884 248.1952 -203012.5075 2845.6409 0.0000 0.0000 52078.2958 -108941.2023 299.2947 -161019.4981 -108583.0991 299.5210 150.8406 176.6189 764991.5139 -4.1164 -4.2034 PRESSURE: 2755800 -456.285 54.0437 12.0065 54.0443 -77.0473 29.8655 12.0075 29.8662 -31.4584 GPRESSURE: 2755800 -365.398 4.45252 31.6644 142.026 -108.786 63.3379 -64.8537 37.8194 -28.3279 PRESSAVG: 2755800 -40.1319 -36.1285 -44.8091 -36.1285 -4.659 45.6761 -44.8091 45.6762 -16.7231 GPRESSAVG: 2755800 -39.9331 -36.5089 -46.098 -35.9701 -4.76071 47.41 -43.0108 43.209 -16.8743 TIMING: 2755800 CPU: 8606.89, 0.00312714/step Wall: 8606.89, 0.00312714/step, 1.94943 hours remaining, 233.941406 MB of memory in use. ENERGY: 2755800 3950.2822 20314.7488 14433.2228 229.7653 -202637.6289 2511.8935 0.0000 0.0000 52227.0620 -108970.6542 300.1496 -161197.7162 -108601.3815 299.6917 -188.2636 -167.5041 766032.7787 -20.5047 -20.5227 PRESSURE: 2756000 -159.752 -46.7814 -81.64 -46.7822 8.72137 77.8104 -81.6401 77.81 9.89079 GPRESSURE: 2756000 -117.027 -3.30054 -211.51 -54.7789 76.3529 28.9325 -101.163 146.248 -9.05316 PRESSAVG: 2756000 -14.902 -22.9988 11.0269 -22.9988 12.6099 7.17343 11.0269 7.17346 -19.8138 GPRESSAVG: 2756000 -15.777 -21.3577 9.89514 -25.4426 13.1074 6.96397 11.0705 8.14996 -19.3104 TIMING: 2756000 CPU: 8607.51, 0.00313134/step Wall: 8607.51, 0.00313134/step, 1.95187 hours remaining, 233.941406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2756000 3958.2224 20547.3640 14415.8215 250.8096 -202989.8740 2823.4723 0.0000 0.0000 52057.7454 -108936.4389 299.1766 -160994.1842 -108582.3248 299.5902 -47.0467 -16.5758 763608.9083 -7.3686 -7.3267 PRESSURE: 2756200 -52.586 37.9947 -48.0828 37.9948 -18.2078 99.6004 -48.083 99.6001 -334.633 GPRESSURE: 2756200 -37.6881 47.7924 -20.4055 43.6167 -15.7069 129.974 -11.8183 26.57 -249.242 PRESSAVG: 2756200 -47.9243 -33.286 72.6918 -33.2859 23.8422 0.746256 72.6918 0.746295 9.0323 GPRESSAVG: 2756200 -48.2415 -33.5455 73.4668 -32.0781 24.7598 -0.125791 70.9554 2.27769 8.95325 TIMING: 2756200 CPU: 8608.14, 0.00314418/step Wall: 8608.14, 0.00314418/step, 1.9597 hours remaining, 233.941406 MB of memory in use. ENERGY: 2756200 3981.0859 20536.0516 14423.7249 248.7463 -202984.0890 2557.6918 0.0000 0.0000 52168.7465 -109068.0419 299.8145 -161236.7885 -108713.3479 299.5073 -135.1422 -100.8790 764694.0293 -5.0166 -4.8428 LDB: ============= START OF LOAD BALANCING ============== 8620.62 LDB: ============== END OF LOAD BALANCING =============== 8620.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8620.62 LDB: ============= START OF LOAD BALANCING ============== 8620.94 LDB: Largest compute 7037 load 0.031867 is 16.3% of average load 0.195078 LDB: Average compute 0.004398 is 2.3% of average load 0.195078 LDB: TIME 8620.94 LOAD: AVG 0.195078 MAX 0.215577 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 8620.94 LOAD: AVG 0.195078 MAX 0.215577 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.461 MB LDB: TIME 8620.94 LOAD: AVG 0.195078 MAX 0.215577 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.461 MB LDB: ============== END OF LOAD BALANCING =============== 8620.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8620.95 PRESSURE: 2756400 114.062 -29.0499 55.3886 -29.0502 274.675 65.0459 55.3885 65.0463 -117.866 GPRESSURE: 2756400 114.766 -31.3376 82.6534 -66.3744 332.252 89.5135 -13.8394 -44.3044 -97.4812 PRESSAVG: 2756400 -27.4046 -41.8078 59.9926 -41.8077 20.2684 16.188 59.9926 16.188 4.6363 GPRESSAVG: 2756400 -26.6063 -42.2194 61.5658 -43.5746 19.5472 17.3029 61.6418 14.2716 4.38519 TIMING: 2756400 CPU: 8608.78, 0.00320549/step Wall: 8608.78, 0.00320549/step, 1.99773 hours remaining, 234.765625 MB of memory in use. ENERGY: 2756400 3972.5579 20569.7051 14390.5271 254.3986 -203222.6980 2861.3086 0.0000 0.0000 51968.5073 -109205.6933 298.6637 -161174.2007 -108849.9940 299.3440 90.2904 116.5121 763463.9745 -0.8333 -0.8913 PRESSURE: 2756600 -177.228 63.4097 -76.3859 63.41 -186.301 385.056 -76.3863 385.057 -183.225 GPRESSURE: 2756600 -138.187 60.3772 -115.286 -67.6698 -204.044 389.521 -224.436 400.1 -98.9474 PRESSAVG: 2756600 10.1105 -16.9942 -57.148 -16.9942 -4.13445 16.7617 -57.148 16.7617 -6.09052 GPRESSAVG: 2756600 8.99598 -15.4055 -58.9649 -18.3369 -4.72828 16.3624 -59.058 17.121 -5.0935 TIMING: 2756600 CPU: 8609.41, 0.00311607/step Wall: 8609.41, 0.00311607/step, 1.94183 hours remaining, 234.765625 MB of memory in use. ENERGY: 2756600 3924.5454 20236.8002 14438.8411 247.9223 -202759.5177 2448.9906 0.0000 0.0000 52137.9102 -109324.5078 299.6373 -161462.4180 -108954.2914 299.0142 -182.2511 -147.0595 762890.7261 -0.0382 -0.2753 PRESSURE: 2756800 -390.7 -105.624 43.597 -105.624 -72.3533 -378.326 43.5969 -378.324 -330.077 GPRESSURE: 2756800 -407.656 -164.859 -22.0545 -70.7385 -40.8921 -444.069 -5.3444 -265.678 -267.559 PRESSAVG: 2756800 44.1204 5.52918 4.49617 5.52924 -6.87224 -16.4328 4.49621 -16.4328 2.64079 GPRESSAVG: 2756800 43.8771 2.91178 5.15567 8.7929 -5.22847 -17.8118 5.78987 -13.0103 2.00135 TIMING: 2756800 CPU: 8610.03, 0.0031099/step Wall: 8610.03, 0.0031099/step, 1.93781 hours remaining, 234.765625 MB of memory in use. ENERGY: 2756800 4034.7442 20610.3148 14444.3801 250.9929 -203074.3011 2741.1147 0.0000 0.0000 52167.2919 -108825.4625 299.8061 -160992.7543 -108469.0304 299.4712 -264.3767 -238.7023 762933.3266 13.2963 13.5500 PRESSURE: 2757000 308.273 52.741 287.009 52.7406 30.6904 -15.6238 287.009 -15.6241 185.846 GPRESSURE: 2757000 328.673 -2.79565 270.826 90.7935 75.8979 -99.87 193.613 96.129 184.236 PRESSAVG: 2757000 34.7108 -15.6918 16.4457 -15.6918 -28.811 11.8142 16.4457 11.8142 2.9985 GPRESSAVG: 2757000 36.9891 -15.5833 14.78 -14.5744 -29.1396 12.485 17.4247 8.75614 1.10069 TIMING: 2757000 CPU: 8610.65, 0.00309987/step Wall: 8610.65, 0.00309987/step, 1.93139 hours remaining, 234.765625 MB of memory in use. ENERGY: 2757000 4009.6941 20533.7062 14482.4850 253.5379 -203175.9970 2852.6114 0.0000 0.0000 52020.5857 -109023.3767 298.9630 -161043.9625 -108663.6643 299.8727 174.9365 196.2688 760766.2939 2.9661 2.9834 PRESSURE: 2757200 245.849 213.637 -78.9637 213.637 129.379 16.6968 -78.964 16.6974 296.774 GPRESSURE: 2757200 352.185 81.0204 -69.3185 217.583 147.849 -14.9553 39.095 -1.16565 267.326 PRESSAVG: 2757200 24.0639 -8.13443 1.19057 -8.13442 -30.3196 44.7376 1.1906 44.7376 2.1916 GPRESSAVG: 2757200 22.9275 -6.04465 3.09632 -12.4146 -30.0506 44.1807 1.36129 45.0582 3.14535 TIMING: 2757200 CPU: 8611.27, 0.00310344/step Wall: 8611.27, 0.00310344/step, 1.93344 hours remaining, 234.765625 MB of memory in use. ENERGY: 2757200 4036.7934 20531.5713 14519.2586 245.9250 -203403.5458 3067.9459 0.0000 0.0000 51893.7126 -109108.3390 298.2339 -161002.0516 -108745.9088 299.4001 224.0006 255.7869 762912.7258 -1.3547 -1.3259 PRESSURE: 2757400 -475.272 -34.787 288.244 -34.7864 -364.379 -8.90068 288.244 -8.90048 13.1374 GPRESSURE: 2757400 -455.153 34.4535 239.986 -74.4227 -243.515 -0.825154 298.111 -8.01209 -28.3179 PRESSAVG: 2757400 -39.7381 -27.5246 1.96499 -27.5246 21.3637 -18.4669 1.96497 -18.467 2.6237 GPRESSAVG: 2757400 -39.5851 -29.0366 0.694958 -25.1017 21.4773 -17.703 0.707718 -17.3991 2.15914 TIMING: 2757400 CPU: 8611.89, 0.00311905/step Wall: 8611.89, 0.00311905/step, 1.943 hours remaining, 234.765625 MB of memory in use. ENERGY: 2757400 4050.2362 20509.9022 14495.5181 239.7308 -203268.5446 2842.7432 0.0000 0.0000 52066.5796 -109063.8345 299.2273 -161130.4141 -108699.8998 299.6185 -275.5046 -242.3285 763224.0854 -5.2503 -5.3162 PRESSURE: 2757600 128.48 99.9539 -10.8693 99.9544 93.9108 83.664 -10.8706 83.6633 116.648 GPRESSURE: 2757600 300.324 11.5186 -39.3729 167.534 -0.273998 119.287 0.0650211 -36.0068 139.75 PRESSAVG: 2757600 -5.53624 -38.9966 57.5392 -38.9966 11.6095 -37.244 57.5391 -37.244 7.74374 GPRESSAVG: 2757600 -5.06959 -36.9964 56.5144 -39.6206 10.38 -37.2166 57.866 -36.787 8.45404 TIMING: 2757600 CPU: 8612.52, 0.00313889/step Wall: 8612.52, 0.00313889/step, 1.95518 hours remaining, 234.765625 MB of memory in use. ENERGY: 2757600 4088.1849 20652.6567 14508.4804 240.8835 -203746.1456 3016.5676 0.0000 0.0000 52119.7598 -109119.6126 299.5330 -161239.3724 -108758.9599 299.6771 113.0130 146.5999 760857.1982 4.6057 4.5881 PRESSURE: 2757800 -137.763 172.886 -28.5332 172.887 -24.4881 -325.729 -28.5334 -325.729 -183.175 GPRESSURE: 2757800 -61.0719 129.997 7.70906 26.419 -60.7205 -226.631 34.9419 -380.041 -147.941 PRESSAVG: 2757800 45.2437 -33.4732 53.2063 -33.4732 -8.03699 -13.0859 53.2063 -13.0859 1.82051 GPRESSAVG: 2757800 44.7084 -34.793 54.2382 -33.9112 -8.89073 -14.7617 52.4287 -13.4591 3.14042 TIMING: 2757800 CPU: 8613.15, 0.003127/step Wall: 8613.15, 0.003127/step, 1.9476 hours remaining, 234.765625 MB of memory in use. ENERGY: 2757800 4002.5509 20544.9539 14561.1201 248.6519 -203115.7713 2277.3127 0.0000 0.0000 52273.0454 -109208.1364 300.4139 -161481.1818 -108830.7197 299.7739 -115.1420 -89.9112 762975.6932 13.0091 12.9860 PRESSURE: 2758000 -238.702 -242.025 289.527 -242.024 -261.888 225.572 289.528 225.572 -77.435 GPRESSURE: 2758000 -169.334 -186.503 197.44 -271.339 -243.694 111.573 197.472 235.814 -78.667 PRESSAVG: 2758000 30.7119 16.9121 71.1787 16.9121 20.6811 0.880549 71.1787 0.88056 1.93458 GPRESSAVG: 2758000 30.4114 15.923 71.2697 17.868 22.5746 1.88217 70.9403 0.709867 0.956782 TIMING: 2758000 CPU: 8613.78, 0.00314106/step Wall: 8613.78, 0.00314106/step, 1.95618 hours remaining, 234.765625 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: 2758000 4013.7311 20604.9303 14551.0451 247.0803 -203321.5127 2813.3754 0.0000 0.0000 51811.7711 -109279.5794 297.7630 -161091.3505 -108921.9062 299.5170 -192.6748 -163.8981 761919.0186 17.7759 17.9809 PRESSURE: 2758200 271.953 72.8727 16.5976 72.8738 -266.441 -147.055 16.599 -147.056 -130.116 GPRESSURE: 2758200 173.496 20.6062 10.1516 66.114 -125.286 -122.266 -60.0746 -74.8606 -108.132 PRESSAVG: 2758200 -54.1286 -11.1345 -2.26835 -11.1345 8.06795 71.8607 -2.26835 71.8608 -5.29332 GPRESSAVG: 2758200 -53.5504 -10.0895 -2.53722 -10.6375 9.46102 72.5994 -3.97991 70.9229 -6.86734 TIMING: 2758200 CPU: 8614.4, 0.00311995/step Wall: 8614.4, 0.00311995/step, 1.94286 hours remaining, 234.765625 MB of memory in use. ENERGY: 2758200 4022.1615 20364.1324 14459.4683 228.4561 -203222.9012 2721.0739 0.0000 0.0000 52169.3502 -109258.2590 299.8180 -161427.6091 -108897.2574 298.8524 -41.5345 -19.9739 763845.6509 -17.1180 -16.9856 PRESSURE: 2758400 -120.062 -177.91 177.435 -177.909 -152.598 -14.1204 177.435 -14.1211 -157.014 GPRESSURE: 2758400 -69.5384 -114.853 274.168 -193.486 -169.429 77.0085 90.8301 1.4005 -119.828 PRESSAVG: 2758400 21.0966 -8.10536 35.3818 -8.10535 21.5628 11.2576 35.3818 11.2576 14.6332 GPRESSAVG: 2758400 20.6556 -9.13726 36.8359 -8.33541 20.5932 11.3673 35.8827 10.2128 16.1418 TIMING: 2758400 CPU: 8615.02, 0.00310473/step Wall: 8615.02, 0.00310473/step, 1.93321 hours remaining, 234.765625 MB of memory in use. ENERGY: 2758400 4021.2262 20568.9624 14459.8779 265.8872 -203219.0175 2662.1557 0.0000 0.0000 51880.9822 -109359.9260 298.1607 -161240.9081 -108991.4770 298.8141 -143.2247 -119.5985 763463.5311 19.0975 19.1302 PRESSURE: 2758600 -112.054 3.16892 68.4687 3.1685 -284.773 -56.849 68.4686 -56.8486 346.391 GPRESSURE: 2758600 29.4384 -75.8068 -17.164 -66.0286 -311.828 -28.5473 20.6706 -79.8834 301.599 PRESSAVG: 2758600 28.1289 -50.6393 39.1541 -50.6393 -5.01262 29.2997 39.154 29.2996 14.6413 GPRESSAVG: 2758600 28.9486 -49.6223 37.3904 -50.6907 -5.47823 29.2261 41.3786 29.2011 14.288 TIMING: 2758600 CPU: 8615.65, 0.00313138/step Wall: 8615.65, 0.00313138/step, 1.94963 hours remaining, 234.765625 MB of memory in use. ENERGY: 2758600 4031.5959 20515.0253 14552.5199 244.7539 -203582.3061 2808.0685 0.0000 0.0000 51999.3702 -109430.9725 298.8411 -161430.3427 -109068.6729 298.8444 -16.8119 6.4031 760990.4593 12.5859 12.5861 PRESSURE: 2758800 -157.056 -92.7192 127.232 -92.7198 146.892 262.674 127.233 262.674 56.0801 GPRESSURE: 2758800 -67.1429 -209.248 197.806 -166.714 114.989 258.312 22.0164 214.692 93.1989 PRESSAVG: 2758800 27.5985 -7.4791 14.8158 -7.47904 37.4579 46.5818 14.8159 46.5818 13.541 GPRESSAVG: 2758800 27.4759 -7.97707 16.786 -7.08924 37.2996 45.8628 14.4984 49.1501 13.2527 TIMING: 2758800 CPU: 8616.27, 0.00310815/step Wall: 8616.27, 0.00310815/step, 1.935 hours remaining, 234.765625 MB of memory in use. ENERGY: 2758800 3931.2009 20502.0537 14415.5986 245.2158 -203614.1699 2920.0066 0.0000 0.0000 52026.4410 -109573.6533 298.9967 -161600.0943 -109214.4688 298.6977 15.3054 47.0150 760295.2860 26.1992 26.0094 PRESSURE: 2759000 -71.2418 -28.7137 95.9568 -28.7133 202.179 -47.1809 95.9566 -47.181 287.272 GPRESSURE: 2759000 2.42948 -45.754 99.2152 8.31527 189.037 22.5911 27.537 -18.7472 299.499 PRESSAVG: 2759000 -9.5906 -35.8066 21.0375 -35.8066 3.50471 42.9042 21.0374 42.9042 4.69137 GPRESSAVG: 2759000 -10.8536 -34.9259 20.4353 -37.1539 3.98167 43.1378 19.8458 43.0179 6.30022 TIMING: 2759000 CPU: 8616.9, 0.00315001/step Wall: 8616.9, 0.00315001/step, 1.96088 hours remaining, 234.765625 MB of memory in use. ENERGY: 2759000 4022.3010 20373.8203 14494.3813 252.6403 -203150.7061 2649.8373 0.0000 0.0000 51965.7543 -109391.9716 298.6479 -161357.7259 -109029.9188 298.5082 139.4029 163.6551 759754.9091 -0.4648 -0.1906 PRESSURE: 2759200 -135.383 -63.385 159.464 -63.384 -205.822 45.8603 159.464 45.86 -277.532 GPRESSURE: 2759200 -96.1826 -84.904 126.974 -41.08 -136.803 -20.1511 106.356 236.162 -291.136 PRESSAVG: 2759200 16.8132 19.1629 34.7952 19.163 62.2379 28.5208 34.7952 28.5208 -0.564405 GPRESSAVG: 2759200 17.3832 20.5614 33.8525 17.0239 62.1656 29.1746 34.6868 29.4108 -1.86082 TIMING: 2759200 CPU: 8617.53, 0.00314165/step Wall: 8617.53, 0.00314165/step, 1.9555 hours remaining, 234.765625 MB of memory in use. ENERGY: 2759200 3972.2617 20468.9760 14516.0534 274.1288 -202936.5409 2449.9089 0.0000 0.0000 51929.5600 -109325.6521 298.4399 -161255.2121 -108966.1946 298.7880 -206.2455 -174.7072 762165.7096 26.1622 25.8960 PRESSURE: 2759400 -288.296 -196.244 -47.2924 -196.244 -395.894 15.4366 -47.2924 15.4361 -353.525 GPRESSURE: 2759400 -217.435 -310.319 -39.3521 -145.059 -350.137 -41.4601 -84.9133 -136.809 -370.45 PRESSAVG: 2759400 23.185 -89.3382 14.9029 -89.3382 -6.71446 -7.25898 14.9029 -7.25897 7.49352 GPRESSAVG: 2759400 23.2429 -89.5839 14.4297 -87.9673 -7.55413 -7.3435 15.9213 -9.38044 8.16408 TIMING: 2759400 CPU: 8618.15, 0.00312996/step Wall: 8618.15, 0.00312996/step, 1.94805 hours remaining, 234.765625 MB of memory in use. ENERGY: 2759400 4048.8937 20370.3093 14454.9873 237.6436 -202785.0077 2428.5101 0.0000 0.0000 51868.9395 -109375.7241 298.0915 -161244.6636 -109024.0404 299.3315 -345.9051 -312.6743 763679.5413 7.9880 7.9509 PRESSURE: 2759600 -341.923 173.367 -42.8672 173.368 -456.812 13.4486 -42.8674 13.4481 -299.732 GPRESSURE: 2759600 -283.313 154.557 -46.2399 116.179 -395.645 2.86862 31.6993 83.7231 -311.476 PRESSAVG: 2759600 -31.4333 -74.8736 -57.8296 -74.8737 44.3933 -50.513 -57.8296 -50.5131 7.98104 GPRESSAVG: 2759600 -30.7204 -76.3067 -56.8319 -75.0457 44.2677 -51.2411 -58.1064 -49.2981 7.50873 TIMING: 2759600 CPU: 8618.79, 0.00316377/step Wall: 8618.79, 0.00316377/step, 1.96892 hours remaining, 234.765625 MB of memory in use. ENERGY: 2759600 3991.6384 20444.2691 14445.0579 226.8792 -202768.5035 2411.6396 0.0000 0.0000 52168.2602 -109080.7591 299.8117 -161249.0193 -108713.2786 298.9669 -366.1555 -330.1446 763857.1513 6.9804 7.0187 PRESSURE: 2759800 -287.575 -254.934 35.5736 -254.935 18.192 30.6061 35.5737 30.6049 -450.084 GPRESSURE: 2759800 -246.349 -369.227 92.3478 -232.256 56.4034 -113.864 -57.6376 131.871 -449.833 PRESSAVG: 2759800 33.2925 -22.7088 -47.3855 -22.7088 -11.2943 -17.7437 -47.3855 -17.7437 -2.80055 GPRESSAVG: 2759800 32.9644 -20.7471 -46.7866 -23.4775 -10.6387 -17.9861 -48.2872 -17.3961 -4.03375 TIMING: 2759800 CPU: 8619.41, 0.0031468/step Wall: 8619.41, 0.0031468/step, 1.95818 hours remaining, 234.765625 MB of memory in use. ENERGY: 2759800 3993.2197 20476.4463 14476.5157 251.8387 -203000.1056 2594.4572 0.0000 0.0000 51854.0978 -109353.5302 298.0062 -161207.6280 -108990.3789 298.8897 -239.8222 -213.2596 762429.8034 6.3992 6.0973 PRESSURE: 2760000 413.193 168.763 73.8325 168.763 198.895 -135.197 73.8327 -135.196 -73.2296 GPRESSURE: 2760000 413.809 113.909 168.532 18.3362 154.943 -124.294 59.8809 -138.032 45.5902 PRESSAVG: 2760000 -20.291 7.03836 11.9254 7.03841 48.7711 -44.6328 11.9255 -44.6328 -13.2115 GPRESSAVG: 2760000 -20.558 4.64277 11.7706 8.61318 47.9621 -43.6876 14.3263 -45.231 -12.0788 TIMING: 2760000 CPU: 8620.04, 0.00312987/step Wall: 8620.04, 0.00312987/step, 1.94748 hours remaining, 234.765625 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: 2760000 3981.6916 20414.5040 14435.8670 247.2291 -203554.8701 2720.6242 0.0000 0.0000 52086.1014 -109668.8528 299.3395 -161754.9542 -109306.8567 298.3406 179.6193 204.7809 761020.5553 5.0895 5.1084 PRESSURE: 2760200 -351.38 72.1801 -153.595 72.1806 63.8213 -72.6281 -153.596 -72.6286 -15.1929 GPRESSURE: 2760200 -275.592 167.162 -164.047 84.0234 3.1235 -104.585 -68.0203 -136.93 46.7834 PRESSAVG: 2760200 33.4144 17.942 37.5071 17.942 -35.9991 -41.9262 37.5071 -41.9262 -6.29005 GPRESSAVG: 2760200 34.6863 18.7554 37.5099 17.1915 -37.6121 -41.8656 36.9458 -41.7218 -6.01 TIMING: 2760200 CPU: 8620.66, 0.00312009/step Wall: 8620.66, 0.00312009/step, 1.94122 hours remaining, 234.765625 MB of memory in use. ENERGY: 2760200 3941.4477 20399.0540 14468.8910 253.7120 -203416.3209 2831.6257 0.0000 0.0000 51720.2741 -109801.3164 297.2371 -161521.5905 -109451.1648 298.0585 -100.9173 -75.2283 760705.3558 -2.9583 -2.9786 LDB: ============= START OF LOAD BALANCING ============== 8633.14 LDB: ============== END OF LOAD BALANCING =============== 8633.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8633.15 LDB: ============= START OF LOAD BALANCING ============== 8633.46 LDB: Largest compute 7070 load 0.030412 is 15.6% of average load 0.195161 LDB: Average compute 0.004367 is 2.2% of average load 0.195161 LDB: TIME 8633.46 LOAD: AVG 0.195161 MAX 0.216257 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.23 MB LDB: TIME 8633.46 LOAD: AVG 0.195161 MAX 0.216257 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.23 MB LDB: TIME 8633.46 LOAD: AVG 0.195161 MAX 0.216257 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.23 MB LDB: ============== END OF LOAD BALANCING =============== 8633.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8633.47 PRESSURE: 2760400 -252.475 154.685 -73.3597 154.685 73.0591 -162.713 -73.3594 -162.713 131.658 GPRESSURE: 2760400 -225.906 78.2186 -123.48 74.6138 134.707 -223.145 85.6444 -0.911501 114.234 PRESSAVG: 2760400 6.2898 4.2167 22.3219 4.21668 28.1825 -16.2945 22.322 -16.2944 -9.61633 GPRESSAVG: 2760400 4.92803 4.78854 22.5065 4.93486 30.3984 -17.621 21.7069 -16.3709 -9.97752 TIMING: 2760400 CPU: 8621.31, 0.00320192/step Wall: 8621.31, 0.00320192/step, 1.99195 hours remaining, 234.253906 MB of memory in use. ENERGY: 2760400 3899.7920 20475.4266 14453.1616 241.9010 -203523.8002 2843.0428 0.0000 0.0000 51837.8515 -109772.6247 297.9128 -161610.4761 -109414.1956 297.3260 -15.9192 7.6782 762417.5486 8.2853 8.4496 PRESSURE: 2760600 18.6238 -137.908 18.5223 -137.909 -49.634 339.425 18.5228 339.426 -214.344 GPRESSURE: 2760600 110.637 -142.73 14.0999 -100.63 -32.025 251.159 -127.349 316.455 -228.493 PRESSAVG: 2760600 -11.4114 11.9418 -8.61967 11.9418 -49.2588 29.757 -8.61971 29.7569 19.0271 GPRESSAVG: 2760600 -11.6375 10.9152 -6.97051 10.8844 -49.2877 30.1069 -6.84643 31.2007 19.1739 TIMING: 2760600 CPU: 8621.93, 0.00310608/step Wall: 8621.93, 0.00310608/step, 1.93215 hours remaining, 234.253906 MB of memory in use. ENERGY: 2760600 3980.9131 20275.7873 14363.6895 238.9475 -203063.2813 2296.6695 0.0000 0.0000 52098.4390 -109808.8355 299.4104 -161907.2745 -109440.9878 297.3825 -81.7849 -49.9604 761140.6200 -13.8810 -13.9171 PRESSURE: 2760800 -45.1605 -125.909 57.3052 -125.909 13.2798 44.8334 57.3056 44.8327 -94.388 GPRESSURE: 2760800 -35.5891 -29.8056 58.8724 -180.597 44.0248 183.668 -22.0072 86.7776 -40.4671 PRESSAVG: 2760800 -16.907 -1.8709 30.8922 -1.87088 7.14232 0.204696 30.8922 0.204652 -22.1025 GPRESSAVG: 2760800 -15.2834 0.150606 30.1755 -1.9233 6.34032 1.22179 28.9551 -1.30953 -22.4838 TIMING: 2760800 CPU: 8622.55, 0.0031191/step Wall: 8622.55, 0.0031191/step, 1.94008 hours remaining, 234.253906 MB of memory in use. ENERGY: 2760800 3921.0906 20410.1885 14378.0344 233.8681 -202943.6628 2592.7485 0.0000 0.0000 51727.7927 -109679.9400 297.2803 -161407.7327 -109312.8667 297.8778 -42.0895 -10.6771 762149.4170 -10.6224 -10.4757 PRESSURE: 2761000 -163.957 -75.3117 -58.3156 -75.3127 -131.208 -15.93 -58.316 -15.9309 -317.116 GPRESSURE: 2761000 -197.305 -83.6529 -82.9818 -66.7175 -63.3078 53.7871 -101.802 -62.9479 -281.095 PRESSAVG: 2761000 -24.387 34.4735 17.4609 34.4735 38.5148 3.59045 17.4609 3.59047 30.9656 GPRESSAVG: 2761000 -25.7129 34.4887 16.3421 34.9726 38.935 2.73724 19.5644 3.17341 31.6339 TIMING: 2761000 CPU: 8623.18, 0.00313157/step Wall: 8623.18, 0.00313157/step, 1.94766 hours remaining, 234.253906 MB of memory in use. ENERGY: 2761000 3984.3027 20465.3018 14393.4989 249.9582 -203077.6995 2490.7217 0.0000 0.0000 51885.5465 -109608.3697 298.1869 -161493.9162 -109248.7083 298.1832 -204.0936 -180.5692 762089.2716 15.0311 14.9520 PRESSURE: 2761200 12.3943 50.6869 107.487 50.6867 298.03 54.9605 107.488 54.9609 -236.231 GPRESSURE: 2761200 149.04 38.6246 150.313 47.0291 285.452 44.146 77.065 130.205 -273.546 PRESSAVG: 2761200 34.4208 -27.4177 2.79315 -27.4177 -25.6121 -25.2234 2.79318 -25.2234 7.17605 GPRESSAVG: 2761200 35.1654 -29.2981 3.05342 -28.2605 -25.6024 -25.641 2.42384 -25.0435 6.42615 TIMING: 2761200 CPU: 8623.8, 0.00312039/step Wall: 8623.8, 0.00312039/step, 1.94053 hours remaining, 234.253906 MB of memory in use. ENERGY: 2761200 3968.0763 20358.8123 14465.5651 241.3450 -203135.1551 2555.8656 0.0000 0.0000 52183.2941 -109362.1965 299.8981 -161545.4906 -108989.9659 298.5832 24.7312 53.6485 762798.1920 5.3282 5.3297 PRESSURE: 2761400 -188.912 -158.138 19.1593 -158.137 76.9321 173.5 19.1585 173.5 -83.0896 GPRESSURE: 2761400 -191.786 -125.267 -119.938 -61.3826 152.808 192.042 -34.5298 154.132 -69.5618 PRESSAVG: 2761400 -1.96671 -39.4581 33.7493 -39.4581 21.9951 15.4605 33.7493 15.4605 4.62366 GPRESSAVG: 2761400 -1.17646 -39.7109 34.1996 -35.4323 21.1996 15.4981 33.5168 16.0329 3.78743 TIMING: 2761400 CPU: 8624.43, 0.00312809/step Wall: 8624.43, 0.00312809/step, 1.94515 hours remaining, 234.253906 MB of memory in use. ENERGY: 2761400 3993.9759 20347.3927 14461.9553 264.1949 -203323.7442 2687.4544 0.0000 0.0000 52143.0841 -109425.6869 299.6670 -161568.7709 -109064.7498 299.0600 -65.0233 -36.1799 760914.3388 8.2173 7.9369 PRESSURE: 2761600 -68.0201 149.505 34.2705 149.504 351.371 11.4582 34.2707 11.4587 -65.2899 GPRESSURE: 2761600 -13.42 131.891 86.524 146.443 376.451 52.7973 6.52769 -102.656 -45.306 PRESSAVG: 2761600 26.2956 -1.8375 34.8517 -1.83756 -23.9686 43.9766 34.8517 43.9766 20.8285 GPRESSAVG: 2761600 26.0258 -2.08532 35.9747 -3.35115 -24.7348 45.3945 34.9804 44.5934 22.5374 TIMING: 2761600 CPU: 8625.06, 0.00314738/step Wall: 8625.06, 0.00314739/step, 1.95697 hours remaining, 234.253906 MB of memory in use. ENERGY: 2761600 3963.9683 20301.3552 14481.4460 247.7818 -203187.9409 2540.8670 0.0000 0.0000 52103.0001 -109549.5224 299.4367 -161652.5225 -109176.5258 298.0117 72.6869 105.9083 760857.9336 7.7185 7.9428 PRESSURE: 2761800 250.99 -3.39291 -28.9986 -3.3934 75.4403 13.504 -28.9979 13.5035 -278.256 GPRESSURE: 2761800 235.755 42.3469 -62.2693 -31.9891 195.129 -41.3252 40.2338 26.3071 -310.506 PRESSAVG: 2761800 9.27692 -50.4296 16.0306 -50.4297 -13.9454 -16.0916 16.0305 -16.0915 3.55177 GPRESSAVG: 2761800 8.11799 -48.8105 15.5134 -52.5775 -12.5524 -15.6356 13.7997 -16.8223 3.02016 TIMING: 2761800 CPU: 8625.68, 0.00312913/step Wall: 8625.68, 0.00312913/step, 1.94545 hours remaining, 234.253906 MB of memory in use. ENERGY: 2761800 3970.7643 20493.5769 14385.2830 246.0973 -203679.0916 2871.6641 0.0000 0.0000 52100.2039 -109611.5020 299.4206 -161711.7059 -109258.1550 297.7682 16.0580 40.1257 762414.1535 -0.3722 -0.4714 PRESSURE: 2762000 -370.025 -327.699 179.046 -327.698 -71.5304 -27.395 179.046 -27.3953 -63.3623 GPRESSURE: 2762000 -345.306 -297.873 133.727 -194.734 -104.183 -37.51 108.179 -34.8233 35.5525 PRESSAVG: 2762000 -45.3179 -55.4628 -48.5859 -55.4628 7.97782 -13.7354 -48.5859 -13.7354 -6.26644 GPRESSAVG: 2762000 -44.5392 -55.9938 -48.7767 -53.1827 7.12195 -14.4655 -47.3955 -16.6199 -6.39628 TIMING: 2762000 CPU: 8626.31, 0.00313449/step Wall: 8626.31, 0.00313449/step, 1.94861 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2762000 3959.6559 20571.3862 14480.6483 241.6836 -202887.3959 2420.0689 0.0000 0.0000 51851.3427 -109362.6104 297.9904 -161213.9531 -108998.5708 298.4304 -168.3059 -137.9790 763203.0013 -14.5355 -14.6045 PRESSURE: 2762200 -245.987 -217.078 159.813 -217.078 -547.742 241.972 159.812 241.973 57.1742 GPRESSURE: 2762200 -163.31 -205.534 206.17 -225.58 -529.558 245.443 40.4533 67.556 61.1539 PRESSAVG: 2762200 62.3136 -79.8131 -17.2487 -79.8131 -56.1163 -5.38177 -17.2488 -5.38173 -8.09707 GPRESSAVG: 2762200 61.8131 -78.5827 -18.5338 -79.0633 -55.9263 -4.47171 -17.1472 -3.88976 -7.68778 TIMING: 2762200 CPU: 8626.93, 0.00311857/step Wall: 8626.93, 0.00311857/step, 1.93854 hours remaining, 234.253906 MB of memory in use. ENERGY: 2762200 4051.7716 20632.3814 14379.5835 247.5152 -203315.4566 2574.4185 0.0000 0.0000 52073.7565 -109356.0298 299.2686 -161429.7863 -108986.2346 298.8647 -245.5181 -210.5715 762863.5527 -0.6333 -0.6003 PRESSURE: 2762400 -240.888 126.852 -88.7508 126.852 -142.568 -97.1271 -88.7502 -97.1261 -9.34833 GPRESSURE: 2762400 -173.848 55.4632 -149.444 194.34 -147.468 -108.726 94.4884 -147.331 32.4387 PRESSAVG: 2762400 38.637 9.68092 30.6736 9.68101 -18.4681 -6.5705 30.6736 -6.57052 -17.3249 GPRESSAVG: 2762400 38.3239 8.11552 32.8385 8.957 -18.158 -6.03461 32.7672 -6.53384 -17.2096 TIMING: 2762400 CPU: 8627.55, 0.00311279/step Wall: 8627.55, 0.00311279/step, 1.93477 hours remaining, 234.253906 MB of memory in use. ENERGY: 2762400 4027.5436 20635.8406 14419.4024 269.8070 -202970.1955 2402.9570 0.0000 0.0000 51824.7185 -109389.9263 297.8374 -161214.6448 -109033.6443 298.8312 -130.9346 -96.2926 761492.2545 0.9480 0.9854 PRESSURE: 2762600 1.70871 -178.308 141.83 -178.307 -109.204 -65.2018 141.828 -65.2026 240.866 GPRESSURE: 2762600 8.16231 -182.669 77.9411 -148.987 -74.5673 -14.7836 123.021 5.85966 287.748 PRESSAVG: 2762600 -30.4757 -43.9153 2.4948 -43.9153 21.0538 32.4419 2.49485 32.442 10.183 GPRESSAVG: 2762600 -28.5767 -43.4184 1.86311 -43.8944 20.6419 31.7072 2.87031 33.2271 8.53869 TIMING: 2762600 CPU: 8628.18, 0.0031492/step Wall: 8628.18, 0.0031492/step, 1.95723 hours remaining, 234.253906 MB of memory in use. ENERGY: 2762600 3921.1736 20551.5691 14507.9521 261.9932 -203693.8940 2859.3118 0.0000 0.0000 52110.8826 -109481.0116 299.4820 -161591.8942 -109127.5760 298.9424 44.4568 73.7811 760188.7376 0.2537 0.2013 PRESSURE: 2762800 -193.521 -122.68 -151.599 -122.679 -143.964 180.178 -151.6 180.177 16.7553 GPRESSURE: 2762800 -95.3007 -80.0237 -78.6216 -64.8695 -139.157 164.636 -213.448 106.069 6.43821 PRESSAVG: 2762800 -49.3714 -20.6906 -35.7611 -20.6905 28.9986 11.0466 -35.7611 11.0466 -17.5238 GPRESSAVG: 2762800 -51.3932 -19.5072 -35.751 -21.4574 30.0451 9.21747 -37.2267 10.0079 -17.0324 TIMING: 2762800 CPU: 8628.82, 0.00316606/step Wall: 8628.82, 0.00316606/step, 1.96753 hours remaining, 234.253906 MB of memory in use. ENERGY: 2762800 3985.5517 20474.9190 14434.9165 250.7754 -203100.1899 2682.1300 0.0000 0.0000 51882.9863 -109388.9111 298.1722 -161271.8974 -109034.8791 298.7761 -106.9099 -76.0066 762769.7393 -12.6322 -12.7935 PRESSURE: 2763000 -107.413 -105.171 -116.471 -105.17 48.5982 -96.4988 -116.471 -96.4995 -314.662 GPRESSURE: 2763000 -39.7168 -79.2543 -153.431 -136.466 44.6768 -179.141 -153.153 -138.79 -289.018 PRESSAVG: 2763000 -79.5787 -97.7573 -20.8593 -97.7573 54.5356 -22.1855 -20.8594 -22.1855 33.5461 GPRESSAVG: 2763000 -79.0497 -99.1677 -20.5667 -96.8218 53.6816 -21.6292 -20.8962 -21.3022 34.1792 TIMING: 2763000 CPU: 8629.44, 0.00312789/step Wall: 8629.44, 0.00312789/step, 1.94364 hours remaining, 234.253906 MB of memory in use. ENERGY: 2763000 3919.2830 20632.9540 14488.3627 245.6579 -203661.0981 2746.9752 0.0000 0.0000 52154.3448 -109473.5205 299.7317 -161627.8653 -109117.5435 299.2803 -124.4925 -94.6859 762014.1872 2.8343 2.9370 PRESSURE: 2763200 -145.307 54.8128 82.8108 54.8129 150.777 4.67976 82.8103 4.67936 -14.2593 GPRESSURE: 2763200 -165.777 49.0465 -6.13115 66.4381 218.205 -64.251 102.246 59.2985 23.6419 PRESSAVG: 2763200 13.5241 -80.7763 22.4167 -80.7763 17.9981 11.6075 22.4168 11.6075 10.5851 GPRESSAVG: 2763200 15.0589 -78.1012 21.5958 -80.795 17.5058 11.0367 21.8435 12.2695 9.39562 TIMING: 2763200 CPU: 8630.06, 0.0031087/step Wall: 8630.06, 0.0031087/step, 1.93154 hours remaining, 234.253906 MB of memory in use. ENERGY: 2763200 3967.5258 20584.1912 14434.2401 255.4239 -203454.7467 2872.0862 0.0000 0.0000 51814.0987 -109527.1808 297.7763 -161341.2795 -109168.1751 299.0746 -2.9296 25.3567 761387.0314 14.0357 13.9868 PRESSURE: 2763400 -142.612 -185.071 -99.0875 -185.071 112.404 -68.2032 -99.0872 -68.2017 -0.577429 GPRESSURE: 2763400 -58.7709 -236.962 -36.7618 -65.2456 103.019 -65.2963 -142.385 -34.2855 14.2901 PRESSAVG: 2763400 -11.1766 -19.0808 23.3246 -19.0807 13.4573 -10.1626 23.3246 -10.1626 9.06846 GPRESSAVG: 2763400 -13.1499 -22.644 24.2542 -17.0817 14.8493 -9.41011 22.8728 -8.9909 10.0084 TIMING: 2763400 CPU: 8630.69, 0.0031342/step Wall: 8630.69, 0.0031342/step, 1.94721 hours remaining, 234.253906 MB of memory in use. ENERGY: 2763400 3978.4223 20577.1746 14629.5615 264.8105 -203450.0625 2839.4892 0.0000 0.0000 52005.0893 -109155.5151 298.8740 -161160.6044 -108796.0500 299.2337 -10.2619 19.5127 760542.5931 3.7830 3.9026 PRESSURE: 2763600 -111.281 29.3112 -111.137 29.3107 -293.151 71.0782 -111.137 71.0786 -175.33 GPRESSURE: 2763600 -76.9347 25.9042 -72.7453 -42.4259 -255.179 90.9142 -115.575 -42.2262 -164.881 PRESSAVG: 2763600 0.221907 -50.5139 0.615067 -50.5139 4.91586 18.5047 0.615071 18.5047 18.7437 GPRESSAVG: 2763600 1.6519 -46.9852 -1.23426 -53.7445 2.67202 18.9273 0.948926 18.758 19.1363 TIMING: 2763600 CPU: 8631.32, 0.00315626/step Wall: 8631.32, 0.00315626/step, 1.96074 hours remaining, 234.253906 MB of memory in use. ENERGY: 2763600 4042.2801 20729.7773 14463.5939 254.3102 -203213.0087 2766.7030 0.0000 0.0000 51886.7634 -109069.5808 298.1939 -160956.3443 -108716.8589 300.0912 -193.2538 -165.6649 762515.2677 7.9605 7.8201 PRESSURE: 2763800 -95.2216 97.9099 -100.285 97.9101 -269.662 160.396 -100.286 160.395 -504.805 GPRESSURE: 2763800 -151.756 15.6124 -286.411 18.4341 -164.083 50.4188 -239.509 218.598 -459.396 PRESSAVG: 2763800 -8.74193 -13.1646 -9.20307 -13.1646 -19.8686 15.4326 -9.203 15.4326 -9.45969 GPRESSAVG: 2763800 -8.52008 -15.8543 -8.7312 -12.7971 -18.7123 13.364 -10.9369 15.7059 -10.2593 TIMING: 2763800 CPU: 8631.95, 0.00312057/step Wall: 8631.95, 0.00312056/step, 1.93839 hours remaining, 234.253906 MB of memory in use. ENERGY: 2763800 4144.3604 20623.1866 14478.6249 285.2504 -203158.9487 2508.2353 0.0000 0.0000 52319.6665 -108799.6246 300.6818 -161119.2910 -108437.1856 300.2152 -289.8962 -258.4116 762381.0378 -12.6901 -12.4972 PRESSURE: 2764000 -96.0141 -76.8934 77.2964 -76.8941 200.477 94.3915 77.2953 94.3907 -103.67 GPRESSURE: 2764000 34.2473 -18.8443 44.15 -43.2799 239.679 77.9849 23.0354 0.549836 -189.741 PRESSAVG: 2764000 -29.5099 -16.2649 -63.2025 -16.2649 -9.26296 -85.545 -63.2026 -85.545 -13.6803 GPRESSAVG: 2764000 -30.0918 -14.3846 -62.0541 -17.8029 -8.43868 -85.5083 -61.1906 -85.1364 -14.2922 TIMING: 2764000 CPU: 8632.57, 0.00311366/step Wall: 8632.57, 0.00311366/step, 1.93393 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2764000 4004.0310 20537.0664 14491.7537 245.1602 -203169.2020 2665.8266 0.0000 0.0000 52489.4559 -108735.9081 301.6576 -161225.3640 -108367.1414 300.6248 0.2644 28.0618 762434.7210 -17.4844 -17.6076 PRESSURE: 2764200 -261.158 -137.812 -258.327 -137.813 -118.97 -89.4859 -258.327 -89.486 -182.871 GPRESSURE: 2764200 -164.743 -109.654 -208.325 -135.629 -108.945 -66.8247 -314.117 -5.49337 -190.666 PRESSAVG: 2764200 -37.232 -49.3685 -28.4701 -49.3686 67.2435 -47.1038 -28.4701 -47.1037 3.80078 GPRESSAVG: 2764200 -35.9198 -49.9015 -28.7195 -47.8762 65.2002 -45.6863 -29.8739 -48.3217 4.51141 TIMING: 2764200 CPU: 8633.2, 0.00313943/step Wall: 8633.2, 0.00313943/step, 1.94976 hours remaining, 234.253906 MB of memory in use. ENERGY: 2764200 4012.3836 20539.7332 14411.5502 257.5148 -203157.8986 2655.3891 0.0000 0.0000 52384.8644 -108896.4633 301.0565 -161281.3277 -108523.0074 300.6018 -187.6664 -154.7848 763674.8120 11.2708 11.2639 LDB: ============= START OF LOAD BALANCING ============== 8645.68 LDB: ============== END OF LOAD BALANCING =============== 8645.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8645.68 LDB: ============= START OF LOAD BALANCING ============== 8645.99 LDB: Largest compute 7051 load 0.028847 is 14.8% of average load 0.195141 LDB: Average compute 0.004407 is 2.3% of average load 0.195141 LDB: TIME 8646 LOAD: AVG 0.195141 MAX 0.216421 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.441 MB LDB: TIME 8646 LOAD: AVG 0.195141 MAX 0.216421 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.645 MB LDB: TIME 8646 LOAD: AVG 0.195141 MAX 0.216421 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.645 MB LDB: ============== END OF LOAD BALANCING =============== 8646 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8646.01 PRESSURE: 2764400 -90.2669 186.07 -91.5457 186.071 -206.405 -51.9584 -91.5456 -51.9585 -296.367 GPRESSURE: 2764400 -136.509 62.0569 41.9354 285.119 -65.1136 -97.4499 -64.0798 -113.056 -291.883 PRESSAVG: 2764400 -62.1331 -20.4336 -49.5127 -20.4336 52.7396 -42.2793 -49.5127 -42.2794 0.140981 GPRESSAVG: 2764400 -63.9959 -21.3458 -48.4175 -19.5855 54.8296 -42.9543 -50.8016 -40.4995 -0.0266822 TIMING: 2764400 CPU: 8633.84, 0.00320739/step Wall: 8633.84, 0.00320739/step, 1.99179 hours remaining, 234.371094 MB of memory in use. ENERGY: 2764400 4118.9992 20585.0932 14384.7887 230.2805 -203017.4073 2712.9485 0.0000 0.0000 52118.4360 -108866.8611 299.5254 -160985.2971 -108510.4183 300.0010 -197.6796 -164.5021 763311.0959 -3.0842 -3.0643 PRESSURE: 2764600 -398.64 -43.3835 -64.7084 -43.3825 -79.5714 64.3313 -64.7086 64.3318 -39.1427 GPRESSURE: 2764600 -276.394 50.4846 -104.071 -116.98 -235.499 147.577 -90.9468 60.2345 74.0263 PRESSAVG: 2764600 -15.5727 -37.3928 8.91592 -37.3928 15.2731 -11.2776 8.91588 -11.2776 -11.0869 GPRESSAVG: 2764600 -13.6914 -37.5674 7.75628 -38.5588 13.8285 -10.0947 11.1064 -12.6517 -10.8214 TIMING: 2764600 CPU: 8634.47, 0.00313609/step Wall: 8634.47, 0.00313609/step, 1.94734 hours remaining, 234.371094 MB of memory in use. ENERGY: 2764600 4009.2341 20555.9816 14388.4843 237.7094 -203031.4657 2701.3945 0.0000 0.0000 52123.2869 -109015.3747 299.5532 -161138.6617 -108666.2694 299.6299 -172.4513 -145.9556 764936.8635 -3.7955 -3.5614 PRESSURE: 2764800 11.5588 -221.611 43.844 -221.611 -337.722 -111.952 43.8444 -111.952 121.782 GPRESSURE: 2764800 56.014 -163.703 42.0201 -170.103 -235.618 -120.84 157.408 -8.03507 58.8096 PRESSAVG: 2764800 15.4096 -34.5715 7.09879 -34.5716 12.6784 31.991 7.09881 31.9909 -23.5135 GPRESSAVG: 2764800 13.4113 -34.7079 7.47713 -34.6894 13.8795 32.2301 7.49997 32.1339 -22.6797 TIMING: 2764800 CPU: 8635.09, 0.00311089/step Wall: 8635.09, 0.00311089/step, 1.93152 hours remaining, 234.371094 MB of memory in use. ENERGY: 2764800 4076.2843 20378.3233 14405.7488 229.0847 -202983.8192 2617.4859 0.0000 0.0000 52191.9165 -109084.9758 299.9477 -161276.8923 -108716.8783 299.6811 -68.1271 -40.2648 763255.0893 1.5248 1.5370 PRESSURE: 2765000 1.31636 43.992 21.3806 43.9924 -337.982 12.826 21.3806 12.827 63.4187 GPRESSURE: 2765000 -45.8013 52.8595 55.6196 -40.9125 -202.278 25.4553 22.5579 -18.9501 78.3922 PRESSAVG: 2765000 -8.26949 -68.5787 18.7121 -68.5787 36.7284 8.97193 18.7121 8.972 -0.0982757 GPRESSAVG: 2765000 -7.55692 -64.1013 18.7983 -69.5872 38.0205 7.1706 16.3836 8.65248 -2.11141 TIMING: 2765000 CPU: 8635.71, 0.00311428/step Wall: 8635.71, 0.00311428/step, 1.93345 hours remaining, 234.371094 MB of memory in use. ENERGY: 2765000 4104.7639 20448.1780 14421.1720 244.7227 -203526.2366 2891.5864 0.0000 0.0000 52198.7718 -109217.0417 299.9871 -161415.8135 -108856.2196 299.5413 -91.0824 -56.5624 762691.3053 9.4535 9.4507 PRESSURE: 2765200 35.0322 140.814 190.222 140.814 68.2266 89.7943 190.222 89.7939 149.677 GPRESSURE: 2765200 13.9973 203.235 109.777 131.236 156.95 98.4981 168.707 -11.4429 146.974 PRESSAVG: 2765200 -46.0908 9.01942 4.346 9.01943 -0.540749 37.9297 4.34599 37.9297 -1.34973 GPRESSAVG: 2765200 -46.5839 4.66471 3.18753 10.6326 -1.46965 39.1892 6.20274 37.5323 -0.362484 TIMING: 2765200 CPU: 8636.34, 0.00312029/step Wall: 8636.34, 0.00312029/step, 1.93701 hours remaining, 234.371094 MB of memory in use. ENERGY: 2765200 3961.2656 20489.8142 14471.7688 243.1950 -203192.9069 2649.4013 0.0000 0.0000 52018.8953 -109358.5667 298.9533 -161377.4619 -108999.3174 298.8991 84.3119 105.9739 762503.0477 -15.9937 -16.1387 PRESSURE: 2765400 -229.431 161.914 -70.055 161.914 -401.706 44.8453 -70.0563 44.8451 -109.385 GPRESSURE: 2765400 -224.475 173.692 -99.633 273.681 -371.058 136.066 -86.7788 63.3684 -63.1378 PRESSAVG: 2765400 -24.7805 10.6276 -8.25003 10.6277 37.3142 -24.7604 -8.25005 -24.7604 6.09374 GPRESSAVG: 2765400 -23.16 11.6636 -7.53982 9.48744 35.9353 -24.5697 -8.95269 -23.8835 6.18236 TIMING: 2765400 CPU: 8636.96, 0.00311333/step Wall: 8636.96, 0.00311333/step, 1.93251 hours remaining, 234.371094 MB of memory in use. ENERGY: 2765400 4019.3307 20435.6851 14382.4914 231.4590 -203087.3776 2540.4417 0.0000 0.0000 51862.4393 -109615.5306 298.0542 -161477.9698 -109260.9363 298.4395 -246.8408 -219.5568 764008.7096 6.2092 6.3192 PRESSURE: 2765600 -13.6696 161.61 26.6647 161.609 446.71 15.2012 26.6634 15.2011 83.2012 GPRESSURE: 2765600 164.642 165.313 91.8351 166.933 356.94 -73.576 -79.1788 -92.2386 89.3466 PRESSAVG: 2765600 33.4962 1.38705 -31.7745 1.38699 -15.7784 -35.6533 -31.7745 -35.6533 26.1845 GPRESSAVG: 2765600 34.0269 1.31702 -30.708 4.23485 -15.9111 -35.4245 -31.8001 -34.562 25.2712 TIMING: 2765600 CPU: 8637.58, 0.00312316/step Wall: 8637.58, 0.00312316/step, 1.93844 hours remaining, 234.371094 MB of memory in use. ENERGY: 2765600 3969.2092 20327.0480 14550.9551 243.8602 -203555.2345 2951.0134 0.0000 0.0000 52031.9948 -109481.1537 299.0286 -161513.1486 -109113.7754 297.9552 172.0806 203.6429 762313.1143 14.6341 14.4624 PRESSURE: 2765800 -42.6384 -37.7191 -44.827 -37.7192 196.474 9.61959 -44.8263 9.61996 -21.4429 GPRESSURE: 2765800 -94.2873 -58.5929 -44.28 14.6073 301.174 146.694 -77.3061 77.8061 9.14853 PRESSAVG: 2765800 75.8899 -24.7474 -50.393 -24.7473 -17.3086 -17.8893 -50.3929 -17.8893 5.79784 GPRESSAVG: 2765800 75.6928 -22.7383 -51.5196 -26.2307 -17.1078 -17.078 -51.9543 -18.4898 5.85432 TIMING: 2765800 CPU: 8638.21, 0.00312391/step Wall: 8638.21, 0.00312391/step, 1.93873 hours remaining, 234.371094 MB of memory in use. ENERGY: 2765800 4022.0814 20511.7302 14455.7666 247.1435 -203560.2000 2887.5788 0.0000 0.0000 52297.2487 -109138.6508 300.5530 -161435.8995 -108780.8408 299.0846 44.1309 72.0118 761440.1103 21.4597 21.4798 PRESSURE: 2766000 231.313 -18.4585 -127.502 -18.4583 -185.588 -63.037 -127.502 -63.0366 167.479 GPRESSURE: 2766000 353.576 136.163 -62.9163 -81.5817 -106.048 -15.5115 -10.6688 -44.4467 77.5118 PRESSAVG: 2766000 34.823 -31.3218 -66.2903 -31.3218 -19.06 18.8623 -66.2903 18.8623 -12.731 GPRESSAVG: 2766000 33.919 -32.515 -62.7889 -32.495 -18.1636 18.2212 -66.7926 19.2551 -12.6202 TIMING: 2766000 CPU: 8638.83, 0.00313348/step Wall: 8638.83, 0.00313348/step, 1.9445 hours remaining, 234.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2766000 3946.3627 20453.5553 14468.4171 246.1812 -203076.1136 2646.7817 0.0000 0.0000 52013.2178 -109301.5979 298.9207 -161314.8157 -108941.4915 299.2196 71.0677 108.3466 762394.0563 1.0107 1.0451 PRESSURE: 2766200 -239.479 -82.1217 -95.7771 -82.1225 -144.912 -104.434 -95.7771 -104.433 -226.011 GPRESSURE: 2766200 -262.755 -37.579 -100.905 -110.004 -133.244 -43.2665 -106.48 -211.875 -125.182 PRESSAVG: 2766200 -19.5369 -48.6824 -29.201 -48.6824 54.4272 12.4044 -29.201 12.4044 -10.6826 GPRESSAVG: 2766200 -19.587 -50.1979 -32.1681 -49.0924 54.5491 13.1759 -29.2108 10.0117 -10.5172 TIMING: 2766200 CPU: 8639.46, 0.00313692/step Wall: 8639.46, 0.00313692/step, 1.94646 hours remaining, 234.371094 MB of memory in use. ENERGY: 2766200 3985.9668 20591.6061 14413.0690 239.4356 -203232.8503 2682.6877 0.0000 0.0000 52070.2994 -109249.7857 299.2487 -161320.0852 -108886.8050 299.3121 -203.4678 -173.7272 763828.8633 8.0692 8.1483 PRESSURE: 2766400 -286.042 227.425 -94.5384 227.426 273.362 108.609 -94.5375 108.609 192.086 GPRESSURE: 2766400 -221.428 122.171 -62.4684 196.743 320.587 200.428 -84.6826 170.166 153.558 PRESSAVG: 2766400 38.5634 0.0270567 -64.4901 0.0270255 -28.9184 11.0677 -64.4901 11.0677 -2.1637 GPRESSAVG: 2766400 39.1061 1.44024 -64.314 -0.629858 -29.0912 8.71094 -61.091 11.9145 -2.21934 TIMING: 2766400 CPU: 8640.09, 0.00312466/step Wall: 8640.09, 0.00312466/step, 1.93868 hours remaining, 234.371094 MB of memory in use. ENERGY: 2766400 4017.7902 20611.5657 14465.2762 260.2101 -203278.3596 2637.9074 0.0000 0.0000 52303.2201 -108982.3900 300.5873 -161285.6100 -108629.7217 299.4224 59.8022 84.2392 762962.9070 2.4938 2.5985 PRESSURE: 2766600 -207.224 -136.536 76.5732 -136.536 -70.3401 -126.414 76.5732 -126.414 62.3844 GPRESSURE: 2766600 -79.3431 -70.0809 107.547 -134.11 -108.654 -94.1513 3.6558 -87.9182 66.7668 PRESSAVG: 2766600 -14.4917 10.5783 -16.6139 10.5783 21.9475 -18.3259 -16.614 -18.3259 27.8352 GPRESSAVG: 2766600 -14.3616 9.79754 -16.2699 10.9188 21.5712 -17.9845 -18.4981 -16.4272 27.8712 TIMING: 2766600 CPU: 8640.71, 0.0031171/step Wall: 8640.71, 0.0031171/step, 1.93381 hours remaining, 234.371094 MB of memory in use. ENERGY: 2766600 3981.4349 20673.5144 14439.3121 243.9793 -203335.6706 2571.3540 0.0000 0.0000 52281.0647 -109145.0112 300.4600 -161426.0759 -108779.8396 299.4091 -71.7267 -40.4100 761880.7710 11.7637 11.6936 PRESSURE: 2766800 -30.2103 -102.224 -13.8062 -102.225 134.035 16.6564 -13.8061 16.6557 272.67 GPRESSURE: 2766800 16.9545 -19.0922 29.1708 -40.7029 215.898 -8.92111 15.0208 -16.908 229.233 PRESSAVG: 2766800 34.7835 13.0827 -31.8578 13.0827 -50.3425 -7.22653 -31.8579 -7.22653 10.9002 GPRESSAVG: 2766800 33.5559 15.0663 -32.7689 12.2493 -49.0952 -5.76735 -30.5216 -8.84111 11.7611 TIMING: 2766800 CPU: 8641.33, 0.0031228/step Wall: 8641.33, 0.0031228/step, 1.93718 hours remaining, 234.371094 MB of memory in use. ENERGY: 2766800 3996.0527 20546.1630 14474.8575 245.2475 -203824.0011 2937.8327 0.0000 0.0000 52342.1011 -109281.7466 300.8108 -161623.8477 -108921.6844 299.4319 125.4982 154.0287 761276.2194 -1.5529 -1.2594 PRESSURE: 2767000 37.5061 -31.5313 52.6927 -31.5306 -177.551 -86.4307 52.6931 -86.4297 -277.794 GPRESSURE: 2767000 14.2306 -25.833 25.0973 4.14194 -139.512 -50.2397 52.6423 -124.812 -209.092 PRESSAVG: 2767000 -12.5406 -56.028 -8.5475 -56.028 18.665 2.00281 -8.54754 2.0028 -2.17048 GPRESSAVG: 2767000 -11.4946 -58.2658 -8.49067 -53.2222 18.5602 1.58305 -8.28041 1.93145 -3.14996 TIMING: 2767000 CPU: 8641.96, 0.00313056/step Wall: 8641.96, 0.00313056/step, 1.94182 hours remaining, 234.371094 MB of memory in use. ENERGY: 2767000 4031.2556 20740.4004 14472.8340 230.5095 -203083.5270 2501.0024 0.0000 0.0000 52049.5471 -109057.9780 299.1295 -161107.5251 -108698.6187 299.7750 -139.2796 -111.4575 762606.8786 1.3179 1.3052 PRESSURE: 2767200 -11.7794 3.80462 355.278 3.80505 25.0067 76.7296 355.279 76.7296 -234.862 GPRESSURE: 2767200 -10.9598 -60.0107 403.554 12.7588 70.6456 125.252 243.685 176.944 -182.416 PRESSAVG: 2767200 -2.16068 -30.0791 -36.5573 -30.0791 -26.5964 -32.8752 -36.5574 -32.8751 3.72747 GPRESSAVG: 2767200 -2.14145 -29.588 -34.6174 -30.8484 -27.7808 -34.6598 -40.4861 -30.3215 4.512 TIMING: 2767200 CPU: 8642.59, 0.00316101/step Wall: 8642.59, 0.00316101/step, 1.96053 hours remaining, 234.371094 MB of memory in use. ENERGY: 2767200 4072.7079 20482.8211 14412.4284 248.0962 -203508.3974 2946.3086 0.0000 0.0000 52258.4607 -109087.5744 300.3301 -161346.0351 -108716.9785 299.6069 -73.8782 -40.9101 764430.5190 -8.3432 -8.4701 PRESSURE: 2767400 -116.344 -35.0574 -201.689 -35.0568 -82.4568 55.9484 -201.689 55.9476 -223.433 GPRESSURE: 2767400 -144.048 -157.854 -225.011 -0.0933208 6.96567 25.8704 -157.742 124.325 -194.321 PRESSAVG: 2767400 52.7833 -55.3632 -58.9752 -55.3632 -46.7681 -20.0825 -58.9752 -20.0825 -10.6012 GPRESSAVG: 2767400 52.256 -55.7468 -60.6716 -54.8461 -45.4173 -18.8631 -56.977 -23.0724 -11.2435 TIMING: 2767400 CPU: 8643.22, 0.00314724/step Wall: 8643.22, 0.00314724/step, 1.95181 hours remaining, 234.371094 MB of memory in use. ENERGY: 2767400 4076.4192 20724.7195 14397.7242 229.8947 -203204.2504 2606.3371 0.0000 0.0000 51939.5213 -109229.6344 298.4971 -161169.1557 -108858.2413 299.9638 -140.7444 -110.4678 762961.7091 -1.5287 -1.4683 PRESSURE: 2767600 80.2632 22.111 9.3927 22.1105 179.52 -172.554 9.39192 -172.553 -87.8115 GPRESSURE: 2767600 143.435 -46.8176 1.59455 -52.0226 154.166 -165.869 90.4745 -140.345 -16.4378 PRESSAVG: 2767600 24.834 -14.4188 -27.5156 -14.4187 -51.0425 -28.483 -27.5156 -28.483 12.5916 GPRESSAVG: 2767600 24.4733 -15.4195 -27.2428 -14.5993 -51.0719 -29.6605 -27.5236 -25.9435 13.3291 TIMING: 2767600 CPU: 8643.84, 0.00311176/step Wall: 8643.84, 0.00311176/step, 1.92963 hours remaining, 234.371094 MB of memory in use. ENERGY: 2767600 4076.2274 20647.4410 14383.7346 256.8197 -203281.4387 2595.3359 0.0000 0.0000 51943.7051 -109378.1749 298.5212 -161321.8800 -109021.9852 299.1624 57.3237 93.7208 759331.8938 -4.5389 -4.4232 PRESSURE: 2767800 -314.82 48.2826 -155.313 48.2827 66.9521 -220.956 -155.312 -220.956 246.887 GPRESSURE: 2767800 -167.552 -120.096 -145.59 19.6148 71.1037 -210.783 -118.697 -279.14 176.899 PRESSAVG: 2767800 76.6244 -66.1166 -21.3668 -66.1166 -31.7767 5.31496 -21.3668 5.31499 4.02002 GPRESSAVG: 2767800 77.7393 -63.9372 -22.09 -64.9664 -32.1596 6.38898 -19.877 4.65893 3.31388 TIMING: 2767800 CPU: 8644.47, 0.00313406/step Wall: 8644.47, 0.00313406/step, 1.94329 hours remaining, 234.371094 MB of memory in use. ENERGY: 2767800 3940.3764 20558.5880 14429.1441 246.7681 -204051.0023 2926.3758 0.0000 0.0000 52121.3620 -109828.3879 299.5422 -161949.7499 -109476.1226 298.8721 -0.3268 26.8170 762523.0149 16.2892 16.2978 PRESSURE: 2768000 274.672 109.395 -175.045 109.395 34.4474 79.6715 -175.044 79.6718 148.678 GPRESSURE: 2768000 201.157 62.4697 -137.197 42.6415 127.063 73.614 -238.099 -37.4471 217.205 PRESSAVG: 2768000 -56.1268 -71.8787 -12.8057 -71.8787 17.2006 19.5245 -12.8057 19.5245 -9.95821 GPRESSAVG: 2768000 -56.2457 -73.4326 -12.9961 -74.9476 16.9346 18.8491 -13.0868 19.9032 -9.30083 TIMING: 2768000 CPU: 8645.1, 0.00312747/step Wall: 8645.1, 0.00312747/step, 1.93903 hours remaining, 234.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2768000 4020.0253 20573.3218 14484.5240 262.9565 -204261.8158 3128.4491 0.0000 0.0000 51808.0403 -109984.4987 297.7415 -161792.5390 -109637.1089 298.1265 152.5989 181.8084 760192.5275 -16.2948 -16.2040 PRESSURE: 2768200 72.6817 -206.352 -119.035 -206.353 -243.633 94.6558 -119.035 94.6557 -24.753 GPRESSURE: 2768200 65.0037 -173.058 -163.635 -41.6772 -201.192 154.795 -104.8 -30.1286 10.1123 PRESSAVG: 2768200 -10.3696 -32.9019 -29.7799 -32.9018 14.0707 19.2868 -29.7799 19.2869 -3.93919 GPRESSAVG: 2768200 -10.7531 -31.4815 -30.457 -32.1398 15.3481 19.0762 -30.2207 18.6153 -4.48364 TIMING: 2768200 CPU: 8645.73, 0.00314712/step Wall: 8645.73, 0.00314712/step, 1.95104 hours remaining, 234.371094 MB of memory in use. ENERGY: 2768200 3927.4443 20454.9040 14429.1046 234.8112 -203265.1569 2690.7654 0.0000 0.0000 51841.8459 -109686.2815 297.9358 -161528.1274 -109305.7420 298.0160 -65.2348 -42.0253 762860.9109 -0.0794 0.0371 LDB: ============= START OF LOAD BALANCING ============== 8658.21 LDB: ============== END OF LOAD BALANCING =============== 8658.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8658.21 LDB: ============= START OF LOAD BALANCING ============== 8658.52 LDB: Largest compute 7037 load 0.029236 is 15.0% of average load 0.195168 LDB: Average compute 0.004386 is 2.2% of average load 0.195168 LDB: TIME 8658.53 LOAD: AVG 0.195168 MAX 0.217699 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.328 MB LDB: TIME 8658.53 LOAD: AVG 0.195168 MAX 0.217699 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.531 MB LDB: TIME 8658.53 LOAD: AVG 0.195168 MAX 0.217699 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.531 MB LDB: ============== END OF LOAD BALANCING =============== 8658.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8658.53 PRESSURE: 2768400 -93.6137 -312.525 109.005 -312.524 -23.9607 95.8686 109.006 95.868 -589.932 GPRESSURE: 2768400 -47.5071 -159.412 141.138 -361.61 10.2169 106.902 33.7465 106.14 -585.614 PRESSAVG: 2768400 7.76353 -31.475 -61.7189 -31.475 -18.8511 -35.9742 -61.7189 -35.9742 11.9887 GPRESSAVG: 2768400 8.54423 -30.0426 -60.0954 -30.294 -20.1476 -35.2512 -60.6109 -36.046 12.7528 TIMING: 2768400 CPU: 8646.37, 0.00320648/step Wall: 8646.37, 0.00320648/step, 1.98766 hours remaining, 234.113281 MB of memory in use. ENERGY: 2768400 3986.9835 20412.1995 14415.4085 241.7103 -203768.9144 2875.7028 0.0000 0.0000 52148.7176 -109688.1923 299.6994 -161836.9099 -109332.1334 298.8697 -235.8356 -207.6347 762942.5442 0.3004 0.3831 PRESSURE: 2768600 -449.866 -37.3401 -0.738755 -37.3403 -197.23 59.2497 -0.739805 59.2497 -397.525 GPRESSURE: 2768600 -323.344 -123.932 74.1105 0.979705 -297.318 38.9938 -32.4225 121.711 -337.057 PRESSAVG: 2768600 -12.7616 -37.1354 -24.5416 -37.1354 38.1005 -50.335 -24.5416 -50.335 14.0297 GPRESSAVG: 2768600 -12.1027 -38.1361 -25.4487 -38.1022 36.5043 -51.0925 -27.7263 -48.3249 14.7818 TIMING: 2768600 CPU: 8646.99, 0.00312569/step Wall: 8646.99, 0.00312569/step, 1.93741 hours remaining, 234.113281 MB of memory in use. ENERGY: 2768600 4012.1346 20662.4822 14380.2185 244.1873 -202993.8164 2324.0386 0.0000 0.0000 51853.0499 -109517.7055 298.0002 -161370.7553 -109161.8096 298.4186 -348.2068 -319.2399 765153.8271 13.1229 13.0611 PRESSURE: 2768800 -122.616 83.325 48.3614 83.3251 -289.275 86.1999 48.3601 86.1994 184.419 GPRESSURE: 2768800 -189.992 125.347 31.7648 -14.9108 -205.118 103.714 -45.2118 102.808 252.706 PRESSAVG: 2768800 21.3924 2.58643 -8.71374 2.58642 -8.54862 -0.496283 -8.71373 -0.496324 -4.18124 GPRESSAVG: 2768800 19.9065 0.177606 -8.23741 3.13454 -6.04234 0.209738 -6.43068 -2.11326 -4.63995 TIMING: 2768800 CPU: 8647.62, 0.00312723/step Wall: 8647.62, 0.00312723/step, 1.93819 hours remaining, 234.113281 MB of memory in use. ENERGY: 2768800 3994.9783 20617.5002 14462.8253 263.6426 -203481.8304 2997.2799 0.0000 0.0000 51861.3690 -109284.2351 298.0480 -161145.6041 -108922.8882 298.8137 -75.8240 -47.4683 763748.1019 2.8875 3.0747 PRESSURE: 2769000 -130.364 0.932897 -55.4461 0.933209 -173.101 177.127 -55.4465 177.127 166.766 GPRESSURE: 2769000 -108.898 -37.0861 -52.1224 85.5947 -141.669 180.012 -67.7465 51.6933 179.965 PRESSAVG: 2769000 12.3296 -58.2889 11.267 -58.2889 1.57889 16.9311 11.2671 16.9311 -2.60828 GPRESSAVG: 2769000 13.1306 -58.8466 11.4861 -56.4576 0.442872 19.05 11.523 14.2319 -2.05482 TIMING: 2769000 CPU: 8648.24, 0.00312967/step Wall: 8648.24, 0.00312967/step, 1.93953 hours remaining, 234.113281 MB of memory in use. ENERGY: 2769000 3991.6617 20597.4291 14382.6522 252.1320 -203204.5136 2658.6577 0.0000 0.0000 52164.1095 -109157.8713 299.7879 -161321.9808 -108782.4959 299.1313 -45.5663 -23.5339 762814.6045 3.7667 3.8396 PRESSURE: 2769200 100.726 -20.0387 152.062 -20.0389 -48.401 -97.2989 152.062 -97.2986 -117.45 GPRESSURE: 2769200 121.796 3.7731 244.892 -53.1931 -0.464059 -134.255 179.599 -28.8995 -100.644 PRESSAVG: 2769200 18.4634 -21.8319 -7.27364 -21.8319 -0.201711 8.51974 -7.27365 8.51974 -19.0441 GPRESSAVG: 2769200 19.235 -20.4052 -7.4267 -24.4429 0.0670893 6.1514 -4.81243 9.29159 -19.7047 TIMING: 2769200 CPU: 8648.87, 0.0031217/step Wall: 8648.87, 0.0031217/step, 1.93442 hours remaining, 234.113281 MB of memory in use. ENERGY: 2769200 3971.9862 20585.3067 14521.4310 246.4702 -202897.3803 2439.5322 0.0000 0.0000 51945.7708 -109186.8832 298.5331 -161132.6540 -108826.6942 299.6371 -21.7084 6.8959 761510.5314 -0.2608 -0.1342 PRESSURE: 2769400 -166.514 -34.9966 74.9827 -34.9961 -51.7617 -27.4968 74.982 -27.4964 -286.161 GPRESSURE: 2769400 -129.725 -68.0815 116.312 114.344 -39.7147 -42.459 37.293 -92.6634 -225.451 PRESSAVG: 2769400 44.9627 11.4353 32.9483 11.4353 -45.395 -26.079 32.9483 -26.0791 12.4042 GPRESSAVG: 2769400 43.5192 14.1759 32.8419 11.9942 -44.4571 -26.9594 29.9736 -22.2419 12.583 TIMING: 2769400 CPU: 8649.5, 0.00315085/step Wall: 8649.5, 0.00315085/step, 1.9523 hours remaining, 234.113281 MB of memory in use. ENERGY: 2769400 3925.9600 20416.4147 14396.7924 246.1303 -203411.2648 2832.9250 0.0000 0.0000 52239.4262 -109353.6163 300.2207 -161593.0425 -108976.4518 299.3867 -168.1454 -131.6303 762893.8724 3.9906 3.8817 PRESSURE: 2769600 42.2418 344.208 -108.537 344.208 262.183 42.7909 -108.538 42.7907 23.4873 GPRESSURE: 2769600 177.53 280.557 -20.9638 203.902 213.018 66.9947 -35.9657 72.1376 43.5039 PRESSAVG: 2769600 26.404 12.2918 22.8838 12.2919 -15.7428 9.1387 22.8838 9.13864 -23.4708 GPRESSAVG: 2769600 27.4045 8.33366 23.9983 13.0589 -16.7012 8.6838 24.8677 7.27373 -23.2246 TIMING: 2769600 CPU: 8650.13, 0.00313243/step Wall: 8650.13, 0.00313243/step, 1.94071 hours remaining, 234.113281 MB of memory in use. ENERGY: 2769600 3925.5720 20542.0603 14482.0569 263.7302 -203526.6802 2893.4144 0.0000 0.0000 52149.5002 -109270.3462 299.7039 -161419.8464 -108905.3971 299.6438 109.3039 144.6839 761837.2670 -4.2699 -4.1738 PRESSURE: 2769800 -309.873 -158.92 -54.1992 -158.92 -13.2347 -4.06559 -54.1993 -4.06669 -479.185 GPRESSURE: 2769800 -361.508 -157.899 -37.8932 -215.706 21.5985 79.6709 -93.3159 -97.878 -380.942 PRESSAVG: 2769800 38.5314 9.93997 -1.83835 9.93999 29.6529 25.5191 -1.83832 25.5191 27.2608 GPRESSAVG: 2769800 38.9288 11.1311 -2.31634 9.35894 30.0454 27.0607 -3.28746 24.8396 26.3055 TIMING: 2769800 CPU: 8650.75, 0.00313191/step Wall: 8650.75, 0.00313191/step, 1.94022 hours remaining, 234.113281 MB of memory in use. ENERGY: 2769800 3938.0264 20595.1392 14441.6939 252.5114 -203087.7878 2593.1226 0.0000 0.0000 52033.3205 -109233.9736 299.0362 -161267.2942 -108864.9916 299.5738 -267.4311 -240.2839 763789.1222 31.8150 31.7599 PRESSURE: 2770000 3.55669 27.9024 -100.561 27.9027 92.6381 39.9838 -100.561 39.9839 -39.9702 GPRESSURE: 2770000 39.7462 117.669 -40.646 9.77992 147.97 -36.7066 -323.532 211.46 -45.8769 PRESSAVG: 2770000 -0.685959 -3.02903 -10.8323 -3.02898 8.11733 68.8498 -10.8323 68.8498 -9.84843 GPRESSAVG: 2770000 0.399748 -2.59717 -11.7423 -2.82644 7.1168 69.3375 -10.1899 67.8283 -9.73439 TIMING: 2770000 CPU: 8651.37, 0.0031124/step Wall: 8651.37, 0.0031124/step, 1.92796 hours remaining, 234.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2770000 3999.3955 20453.7773 14476.3197 251.2943 -203108.3061 2754.2725 0.0000 0.0000 51795.6821 -109377.5647 297.6705 -161173.2468 -109015.3562 299.1391 18.7415 47.2797 763925.7213 -0.8057 -0.7393 PRESSURE: 2770200 293.005 136.387 -206.69 136.388 -45.1057 33.2694 -206.689 33.2689 -214.186 GPRESSURE: 2770200 251.043 219.369 -88.5014 96.1661 -34.0423 -30.9779 -168.365 106.524 -111.221 PRESSAVG: 2770200 13.3143 21.8624 -57.8946 21.8624 7.58241 49.7401 -57.8947 49.7401 -1.09547 GPRESSAVG: 2770200 12.4996 23.0125 -56.3717 21.898 7.32725 49.7378 -56.4911 51.5818 0.212788 TIMING: 2770200 CPU: 8652, 0.00311941/step Wall: 8652, 0.00311941/step, 1.93213 hours remaining, 234.113281 MB of memory in use. ENERGY: 2770200 3930.1446 20605.8703 14535.4186 242.5890 -203288.2610 2865.2772 0.0000 0.0000 51992.4339 -109116.5274 298.8012 -161108.9613 -108757.9081 298.9553 11.2378 35.2599 763121.4869 6.6004 6.6799 PRESSURE: 2770400 146.226 -113.373 -160.099 -113.373 -109.197 -134.551 -160.1 -134.552 19.0231 GPRESSURE: 2770400 140.625 -88.5345 -184.652 -71.7663 -97.4781 -199.8 -99.1886 -102.994 84.9904 PRESSAVG: 2770400 41.6623 -7.20944 -108.86 -7.20941 -13.9258 -12.3313 -108.86 -12.3313 -13.1591 GPRESSAVG: 2770400 42.0222 -9.39943 -109.444 -8.9182 -14.3435 -13.1498 -110.044 -13.5129 -12.835 TIMING: 2770400 CPU: 8652.63, 0.00314116/step Wall: 8652.63, 0.00314116/step, 1.94542 hours remaining, 234.113281 MB of memory in use. ENERGY: 2770400 4025.9699 20514.5397 14443.5655 246.2834 -203192.5012 2789.1390 0.0000 0.0000 51960.8834 -109212.1204 298.6199 -161173.0038 -108849.9379 299.4506 18.6839 42.7126 761638.6831 4.8591 4.9479 PRESSURE: 2770600 -385.572 150.264 109.228 150.264 -240.201 -67.2474 109.228 -67.2487 -313.568 GPRESSURE: 2770600 -429.866 250.367 114.108 237.657 -183.489 -24.6473 160.203 66.9766 -249.658 PRESSAVG: 2770600 2.5271 -48.4106 -70.2257 -48.4106 21.8938 -19.5327 -70.2256 -19.5326 6.53406 GPRESSAVG: 2770600 1.49511 -45.742 -69.5096 -46.3498 23.7199 -19.272 -72.2442 -20.753 5.97952 TIMING: 2770600 CPU: 8653.25, 0.00313418/step Wall: 8653.25, 0.00313418/step, 1.94093 hours remaining, 234.113281 MB of memory in use. ENERGY: 2770600 3911.1326 20575.0365 14383.0879 252.7863 -202800.0405 2205.0688 0.0000 0.0000 51955.8948 -109517.0335 298.5912 -161472.9283 -109162.6467 298.6090 -313.1138 -287.6709 762567.3418 10.3183 10.3982 PRESSURE: 2770800 -58.1069 -36.3813 21.0812 -36.3812 -346.253 -18.7497 21.0816 -18.7504 -228.747 GPRESSURE: 2770800 -104.947 -116.354 39.2305 -75.9539 -301.272 21.6912 57.7981 -37.9321 -144.48 PRESSAVG: 2770800 -19.295 -35.2961 -4.89923 -35.2961 -18.3942 46.258 -4.89915 46.2579 -22.1017 GPRESSAVG: 2770800 -18.5168 -34.7484 -6.67285 -37.3546 -18.1645 45.9717 -1.64653 48.3496 -23.0187 TIMING: 2770800 CPU: 8653.88, 0.00313578/step Wall: 8653.88, 0.00313578/step, 1.94175 hours remaining, 234.113281 MB of memory in use. ENERGY: 2770800 3978.2920 20583.0463 14419.4580 244.9301 -203116.7619 2588.3046 0.0000 0.0000 51974.9081 -109327.8228 298.7005 -161302.7309 -108970.1520 298.9478 -211.0359 -183.5662 763592.1722 -19.9303 -19.9000 PRESSURE: 2771000 -292.813 173.461 130.626 173.461 -92.5312 150.47 130.626 150.472 -88.2806 GPRESSURE: 2771000 -264.3 190.357 184.666 163.74 -48.6398 189.599 177.546 48.7978 -64.7833 PRESSAVG: 2771000 31.2544 57.8526 5.50557 57.8526 -18.2655 32.2469 5.50553 32.247 -17.6578 GPRESSAVG: 2771000 31.6182 57.0346 6.64706 58.643 -19.5302 32.376 4.52085 32.1409 -17.2086 TIMING: 2771000 CPU: 8654.5, 0.00310195/step Wall: 8654.5, 0.00310195/step, 1.92063 hours remaining, 234.113281 MB of memory in use. ENERGY: 2771000 3971.3497 20615.4099 14416.2287 256.3968 -203039.7025 2506.1407 0.0000 0.0000 51812.5055 -109461.6711 297.7672 -161274.1765 -109099.4273 298.6473 -157.8750 -125.9075 762362.7884 -1.5563 -1.7069 PRESSURE: 2771200 32.071 -79.8586 37.6356 -79.8572 150.265 82.6321 37.6344 82.6319 -129.106 GPRESSURE: 2771200 -13.1183 -136.067 140.161 -107.28 214.123 55.8907 34.5999 138.393 -68.9418 PRESSAVG: 2771200 38.338 -41.0165 -5.24091 -41.0165 -28.9527 -15.6809 -5.24094 -15.6808 3.15392 GPRESSAVG: 2771200 36.8853 -42.5541 -7.48648 -40.4994 -27.7195 -15.529 -5.43838 -16.347 3.29061 TIMING: 2771200 CPU: 8655.12, 0.00310265/step Wall: 8655.12, 0.00310265/step, 1.92089 hours remaining, 234.113281 MB of memory in use. ENERGY: 2771200 4013.9201 20587.8596 14413.1437 256.9739 -203219.3944 2601.6328 0.0000 0.0000 51824.7838 -109521.0805 297.8377 -161345.8643 -109155.2385 298.8467 17.7435 44.0210 762164.4303 4.1798 4.1522 PRESSURE: 2771400 247.797 -272.731 -141.067 -272.731 6.48749 -21.0045 -141.067 -21.0051 24.6917 GPRESSURE: 2771400 197.218 -291.812 -91.0066 -337.63 130.913 22.4435 -156.698 -10.4069 33.3934 PRESSAVG: 2771400 -34.6771 -6.98693 8.03907 -6.98695 33.0915 20.302 8.03907 20.302 -12.7215 GPRESSAVG: 2771400 -33.6035 -7.29599 10.6322 -7.12968 31.0294 21.4309 7.99382 20.2094 -12.0588 TIMING: 2771400 CPU: 8655.74, 0.00309717/step Wall: 8655.74, 0.00309717/step, 1.91732 hours remaining, 234.113281 MB of memory in use. ENERGY: 2771400 3971.4657 20473.1160 14447.6220 266.2414 -203613.1872 2939.0894 0.0000 0.0000 52193.4428 -109322.2100 299.9564 -161515.6528 -108955.6762 299.0798 92.9921 120.5082 761368.7779 -4.7690 -4.8777 PRESSURE: 2771600 -117.001 165.486 241.695 165.486 -105.98 149.181 241.694 149.182 -338.753 GPRESSURE: 2771600 -137.48 150.895 186.437 268.808 -45.8322 180.342 246.831 -91.9858 -291.256 PRESSAVG: 2771600 -44.0157 0.290207 -5.14673 0.290195 -9.50317 45.0543 -5.14668 45.0543 -2.15006 GPRESSAVG: 2771600 -44.0381 1.65043 -5.77533 0.240719 -9.03234 44.1408 -5.98562 43.8614 -2.76315 TIMING: 2771600 CPU: 8656.36, 0.00310931/step Wall: 8656.36, 0.00310931/step, 1.92466 hours remaining, 234.113281 MB of memory in use. ENERGY: 2771600 4006.7044 20492.9733 14327.2700 258.3449 -202883.5466 2401.9379 0.0000 0.0000 51931.0842 -109465.2320 298.4487 -161396.3162 -109096.1558 299.0891 -187.2448 -158.1891 763143.0170 -18.5563 -18.6112 PRESSURE: 2771800 -166.88 98.7608 -66.858 98.7608 -126.338 128.269 -66.8585 128.269 287.202 GPRESSURE: 2771800 -124.825 110.404 18.0496 170.019 -9.41589 43.49 -114.006 103.983 221.271 PRESSAVG: 2771800 3.48239 -1.42171 -37.7377 -1.42173 -17.1815 -5.34912 -37.7377 -5.3491 -5.44532 GPRESSAVG: 2771800 3.25385 -0.651944 -37.3747 -1.52648 -16.4771 -6.85113 -36.7317 -3.11976 -5.73595 TIMING: 2771800 CPU: 8656.98, 0.00310747/step Wall: 8656.98, 0.00310747/step, 1.92335 hours remaining, 234.113281 MB of memory in use. ENERGY: 2771800 3967.6438 20476.8954 14438.2772 255.1374 -203599.0430 2964.9710 0.0000 0.0000 52023.9433 -109472.1749 298.9823 -161496.1183 -109102.0607 298.7134 -2.0055 29.0102 761320.9333 -6.3815 -6.3197 PRESSURE: 2772000 -164.361 50.5667 -44.546 50.5667 133.499 312.725 -44.5456 312.726 -481.592 GPRESSURE: 2772000 -59.4744 9.46849 -59.9839 33.1368 92.3032 283.079 -177.346 167.916 -454.922 PRESSAVG: 2772000 -40.057 -29.2737 -9.04861 -29.2737 16.3495 38.9329 -9.0486 38.933 -7.87944 GPRESSAVG: 2772000 -39.9377 -32.1329 -8.49394 -26.876 16.5206 40.8238 -9.077 36.7921 -8.76466 TIMING: 2772000 CPU: 8657.6, 0.00310335/step Wall: 8657.6, 0.00310335/step, 1.92063 hours remaining, 234.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2772000 4011.5748 20511.8036 14464.3901 239.2791 -203010.4599 2402.9522 0.0000 0.0000 52082.3582 -109298.1019 299.3180 -161380.4601 -108933.0854 299.3981 -170.8182 -140.6978 762609.6735 -10.5290 -10.7273 PRESSURE: 2772200 -306.902 61.1642 -7.0255 61.1642 -243.763 428.192 -7.02529 428.192 -133.256 GPRESSURE: 2772200 -306.26 18.3315 -6.3274 29.0678 -182.807 366.372 89.6886 406.529 -123.985 PRESSAVG: 2772200 47.9722 23.362 12.6351 23.362 -2.57844 62.2446 12.6351 62.2445 12.4982 GPRESSAVG: 2772200 46.8488 26.1469 12.1911 20.0262 -2.90749 60.6912 11.061 63.8772 14.4511 TIMING: 2772200 CPU: 8658.23, 0.00310525/step Wall: 8658.23, 0.00310525/step, 1.92163 hours remaining, 234.113281 MB of memory in use. ENERGY: 2772200 4011.2415 20479.7110 14440.1059 253.9892 -203378.0520 2514.7384 0.0000 0.0000 52315.5541 -109362.7119 300.6582 -161678.2661 -108990.9039 299.2183 -227.9739 -204.3508 761409.3155 19.2973 19.4641 LDB: ============= START OF LOAD BALANCING ============== 8670.7 LDB: ============== END OF LOAD BALANCING =============== 8670.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8670.7 LDB: ============= START OF LOAD BALANCING ============== 8671.02 LDB: Largest compute 7037 load 0.030449 is 15.6% of average load 0.195194 LDB: Average compute 0.004390 is 2.2% of average load 0.195194 LDB: TIME 8671.02 LOAD: AVG 0.195194 MAX 0.215397 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.656 MB LDB: TIME 8671.02 LOAD: AVG 0.195194 MAX 0.215397 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.656 MB LDB: TIME 8671.02 LOAD: AVG 0.195194 MAX 0.215397 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.656 MB LDB: ============== END OF LOAD BALANCING =============== 8671.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8671.03 PRESSURE: 2772400 -347.348 148.065 -90.981 148.064 -350.38 -8.23535 -90.9806 -8.23535 -241.301 GPRESSURE: 2772400 -333.563 142.759 -98.1241 146.377 -302.176 -88.9206 -22.4548 -9.58913 -217.232 PRESSAVG: 2772400 1.04124 -3.85957 3.48365 -3.85959 -16.8887 87.1685 3.48362 87.1685 -11.7506 GPRESSAVG: 2772400 1.34269 -4.23245 2.53677 -3.70231 -16.6963 84.3311 3.83975 88.2352 -12.0145 TIMING: 2772400 CPU: 8658.86, 0.00317291/step Wall: 8658.86, 0.00317292/step, 1.96333 hours remaining, 235.023438 MB of memory in use. ENERGY: 2772400 4051.9493 20613.3204 14385.8769 243.3583 -203364.9911 2759.6358 0.0000 0.0000 51983.4789 -109327.3715 298.7498 -161310.8504 -108964.7170 299.4648 -313.0096 -284.3238 761591.9349 -9.1993 -9.1227 PRESSURE: 2772600 -234.807 18.8317 -20.5121 18.832 -279.042 -125.58 -20.5126 -125.581 -21.9626 GPRESSURE: 2772600 -86.6746 4.24054 -198.36 83.4589 -314.492 -76.7863 -70.8309 -22.3674 -4.20265 PRESSAVG: 2772600 2.83099 27.6271 -17.8642 27.6271 29.0961 -3.45331 -17.8643 -3.45325 3.55907 GPRESSAVG: 2772600 4.48382 28.6197 -18.072 28.9806 28.1368 -2.10163 -16.3419 -5.08801 3.06366 TIMING: 2772600 CPU: 8659.49, 0.00312696/step Wall: 8659.49, 0.00312696/step, 1.93472 hours remaining, 235.093750 MB of memory in use. ENERGY: 2772600 4000.6012 20573.1521 14416.4456 246.6034 -203066.5470 2615.9877 0.0000 0.0000 52168.5423 -109045.2147 299.8133 -161213.7570 -108683.2960 299.3864 -178.6039 -135.1230 762653.7634 11.8287 11.8948 PRESSURE: 2772800 38.8368 -131.921 -11.0332 -131.92 305.983 -3.48372 -11.0327 -3.48266 218.653 GPRESSURE: 2772800 135.604 -52.0493 -13.9899 -164.49 279.205 99.0124 -47.9576 -53.8043 233.158 PRESSAVG: 2772800 -30.809 -5.2697 -27.3634 -5.26973 -36.1251 46.7255 -27.3634 46.7255 -11.0877 GPRESSAVG: 2772800 -31.962 -4.93945 -25.8136 -5.96169 -35.7552 48.0734 -27.7847 45.9307 -10.7208 TIMING: 2772800 CPU: 8660.11, 0.00312427/step Wall: 8660.11, 0.00312427/step, 1.93288 hours remaining, 235.093750 MB of memory in use. ENERGY: 2772800 3910.0338 20457.0603 14429.6760 243.2798 -203374.2683 3084.4990 0.0000 0.0000 52183.1569 -109066.5625 299.8973 -161249.7194 -108698.9980 300.0934 187.8244 215.9892 762529.9787 -26.0073 -26.1460 PRESSURE: 2773000 291.775 17.6631 -68.0927 17.6636 265.055 -189.557 -68.0924 -189.556 270.821 GPRESSURE: 2773000 292.09 41.3585 -77.4329 -6.20859 284.211 -125.869 -42.3163 -249.142 343.309 PRESSAVG: 2773000 -21.4139 32.2335 32.0404 32.2335 42.78 -12.2428 32.0404 -12.2427 16.1481 GPRESSAVG: 2773000 -20.7363 31.0419 33.0268 33.1498 42.3795 -12.4535 33.7836 -10.8592 15.9151 TIMING: 2773000 CPU: 8660.73, 0.00309674/step Wall: 8660.73, 0.00309674/step, 1.91568 hours remaining, 235.093750 MB of memory in use. ENERGY: 2773000 4026.3637 20660.4184 14449.5284 263.5891 -203499.6457 2956.1373 0.0000 0.0000 52119.3438 -109024.2651 299.5306 -161143.6089 -108669.5581 300.1533 275.8837 306.5364 761689.0589 12.5047 12.5194 PRESSURE: 2773200 -6.49459 -194.021 -148.383 -194.021 15.2143 144.586 -148.384 144.585 16.0807 GPRESSURE: 2773200 11.0827 -293.731 -243.264 -141.986 100.859 182.319 -151.811 122.541 7.27424 PRESSAVG: 2773200 34.3714 39.233 -44.2276 39.233 -23.8626 -25.4698 -44.2276 -25.4698 -16.7716 GPRESSAVG: 2773200 32.4179 37.5164 -46.7158 39.8006 -22.5196 -25.3439 -45.9304 -25.7315 -16.1143 TIMING: 2773200 CPU: 8661.35, 0.00310051/step Wall: 8661.35, 0.00310051/step, 1.91784 hours remaining, 235.093750 MB of memory in use. ENERGY: 2773200 3968.9887 20659.5882 14454.9519 236.8680 -202816.0492 2529.1500 0.0000 0.0000 52191.0503 -108775.4521 299.9427 -160966.5024 -108410.7210 300.0432 8.2668 39.7388 763378.8894 -2.0876 -2.0720 PRESSURE: 2773400 -122.179 -139.963 -77.3029 -139.963 181.074 141.28 -77.3043 141.28 -201.824 GPRESSURE: 2773400 -136.797 -13.8743 -87.5905 -67.5923 239.023 68.3932 -8.0262 19.1406 -169.239 PRESSAVG: 2773400 46.4285 30.2729 -38.7569 30.2729 -0.968952 -20.0925 -38.7569 -20.0924 24.3266 GPRESSAVG: 2773400 46.4938 34.3531 -36.6261 28.9702 -0.904204 -20.0506 -37.9691 -21.8021 24.183 TIMING: 2773400 CPU: 8661.97, 0.00311616/step Wall: 8661.97, 0.00311616/step, 1.92734 hours remaining, 235.093750 MB of memory in use. ENERGY: 2773400 3964.6030 20689.4991 14400.0557 237.8764 -203165.2865 2680.4399 0.0000 0.0000 52239.2188 -108953.5937 300.2195 -161192.8125 -108593.7194 299.6318 -47.6428 -22.3378 762933.7424 23.2620 23.2575 PRESSURE: 2773600 -310.502 217.06 -206.691 217.06 -186.848 -106.513 -206.69 -106.514 174.998 GPRESSURE: 2773600 -286.417 119.28 -226.876 130.166 -158.5 -121.406 -150.396 -9.68873 190.678 PRESSAVG: 2773600 45.6158 48.9365 3.1329 48.9365 -53.7633 -35.5996 3.13284 -35.5995 -2.11448 GPRESSAVG: 2773600 45.8407 46.3506 4.26953 48.9296 -54.4473 -34.7829 1.90534 -34.341 -2.01482 TIMING: 2773600 CPU: 8662.6, 0.00312217/step Wall: 8662.6, 0.00312217/step, 1.93089 hours remaining, 235.093750 MB of memory in use. ENERGY: 2773600 4015.9118 20664.8930 14338.4747 245.3609 -203274.8101 2744.2793 0.0000 0.0000 52240.2348 -109025.6555 300.2253 -161265.8903 -108645.2207 300.2042 -107.4508 -84.7462 764819.1622 -3.4207 -3.5405 PRESSURE: 2773800 -331.984 8.98639 -109.621 8.98569 -100.048 55.7155 -109.621 55.7148 -74.1388 GPRESSURE: 2773800 -282.98 -64.8581 -82.6978 27.3707 -61.1732 81.1941 -71.8032 60.2956 -54.2271 PRESSAVG: 2773800 65.7294 12.6048 -14.7869 12.6049 -72.4132 57.9222 -14.7868 57.9221 -22.1554 GPRESSAVG: 2773800 66.9831 12.0154 -15.6393 14.6516 -73.0718 56.1681 -14.7567 58.4459 -22.1877 TIMING: 2773800 CPU: 8663.22, 0.00312206/step Wall: 8663.22, 0.00312206/step, 1.93065 hours remaining, 235.093750 MB of memory in use. ENERGY: 2773800 4069.2030 20589.9948 14406.5780 251.6083 -203159.1205 2704.3422 0.0000 0.0000 52176.9820 -108960.4123 299.8618 -161137.3942 -108595.7015 299.7199 -168.7236 -132.7936 764178.3751 -9.6131 -9.4255 PRESSURE: 2774000 -374.148 -282.911 -37.7479 -282.912 -171.691 95.4005 -37.7485 95.401 -232.344 GPRESSURE: 2774000 -372.618 -292.615 -69.7938 -227.892 -103.298 45.9121 -126.331 223.888 -229.212 PRESSAVG: 2774000 60.9311 2.88707 18.5432 2.887 -17.6422 -0.664072 18.5432 -0.664124 -20.7381 GPRESSAVG: 2774000 60.7937 4.01851 18.6969 0.883765 -18.1491 -0.910958 17.8236 0.41972 -19.4741 TIMING: 2774000 CPU: 8663.84, 0.00311148/step Wall: 8663.84, 0.00311148/step, 1.92393 hours remaining, 235.093750 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: 2774000 4121.0762 20709.9411 14438.6829 258.0955 -202928.9181 2678.6901 0.0000 0.0000 51973.2207 -108749.2116 298.6908 -160722.4322 -108375.7767 299.8565 -259.3945 -235.0424 764596.3624 7.5169 7.7235 PRESSURE: 2774200 -48.1687 -23.498 265.33 -23.4989 -69.7149 133.199 265.33 133.199 39.8096 GPRESSURE: 2774200 32.3191 -12.5604 188.765 32.2007 -70.9288 117.605 154.156 184.926 38.8603 PRESSAVG: 2774200 7.75803 -37.8907 4.41176 -37.8907 -26.0265 78.3252 4.41173 78.3252 7.04886 GPRESSAVG: 2774200 8.15631 -38.9262 3.44401 -37.9032 -25.3985 80.3678 7.22584 76.0742 6.16882 TIMING: 2774200 CPU: 8664.46, 0.00310069/step Wall: 8664.46, 0.00310069/step, 1.91709 hours remaining, 235.093750 MB of memory in use. ENERGY: 2774200 4027.4062 20526.2221 14367.3751 263.0594 -203169.9041 2751.7474 0.0000 0.0000 52383.1907 -108850.9032 301.0469 -161234.0939 -108498.3906 300.5225 -26.0247 0.0835 763034.2143 -3.7399 -3.6911 PRESSURE: 2774400 -51.8615 79.5228 32.3997 79.5232 338.985 117.84 32.4002 117.84 -199.618 GPRESSURE: 2774400 31.9228 19.9213 -1.00178 56.5448 400.923 65.9512 175.091 -9.37101 -256.705 PRESSAVG: 2774400 48.9091 14.5258 26.7267 14.5257 22.9118 62.8946 26.7268 62.8946 19.839 GPRESSAVG: 2774400 48.8205 15.3172 27.548 15.7668 23.6246 62.83 27.0371 63.4977 19.2481 TIMING: 2774400 CPU: 8665.08, 0.00309781/step Wall: 8665.08, 0.00309781/step, 1.91513 hours remaining, 235.093750 MB of memory in use. ENERGY: 2774400 4005.9626 20584.7489 14455.1190 260.7591 -203312.2168 2738.6819 0.0000 0.0000 52123.6623 -109143.2831 299.5554 -161266.9454 -108779.3366 300.2181 29.1683 58.7136 761480.2617 30.5533 30.5644 PRESSURE: 2774600 -384.836 80.8337 -167.456 80.8341 -91.3582 209.35 -167.455 209.349 164.563 GPRESSURE: 2774600 -353.58 94.3748 -165.983 -60.3165 -19.2936 225.265 -124.49 247.977 136.851 PRESSAVG: 2774600 24.6899 33.4686 -32.4628 33.4686 39.0085 28.0412 -32.4628 28.0412 11.5872 GPRESSAVG: 2774600 25.1515 32.6019 -32.2711 34.2382 39.3933 26.3662 -34.3514 28.1241 11.4134 TIMING: 2774600 CPU: 8665.7, 0.00310142/step Wall: 8665.7, 0.00310142/step, 1.91719 hours remaining, 235.093750 MB of memory in use. ENERGY: 2774600 3995.2968 20596.9251 14442.9085 243.7249 -203649.3173 2840.2880 0.0000 0.0000 52127.5426 -109402.6314 299.5777 -161530.1740 -109040.7785 299.3268 -103.8770 -78.6740 761288.5268 25.0952 25.3194 PRESSURE: 2774800 -102.762 -115.901 157.657 -115.901 -182.233 42.6606 157.658 42.6607 142.47 GPRESSURE: 2774800 -67.4669 65.6289 197.003 -59.4319 -162.182 67.3006 35.8079 -23.0564 140.232 PRESSAVG: 2774800 4.75175 28.9593 -44.59 28.9592 -12.3813 -12.5746 -44.59 -12.5746 -5.3903 GPRESSAVG: 2774800 3.86967 30.3554 -44.3368 28.9221 -12.037 -10.7975 -44.0287 -14.9522 -5.77264 TIMING: 2774800 CPU: 8666.33, 0.00310686/step Wall: 8666.33, 0.00310686/step, 1.92039 hours remaining, 235.093750 MB of memory in use. ENERGY: 2774800 4001.5856 20557.3082 14458.8759 238.1059 -203385.4967 2566.1702 0.0000 0.0000 52141.7682 -109421.6828 299.6595 -161563.4509 -109053.3734 299.2708 -47.5082 -29.8056 762116.3985 -4.3400 -4.6466 PRESSURE: 2775000 319.655 -32.3739 -176.446 -32.3737 197.782 -53.6983 -176.446 -53.6984 119.992 GPRESSURE: 2775000 362.539 58.1254 -238.364 -98.0513 209.643 -34.2505 -18.6005 -34.3523 147.101 PRESSAVG: 2775000 55.9233 11.2523 -4.01956 11.2523 -43.5376 -22.4724 -4.01952 -22.4724 8.94952 GPRESSAVG: 2775000 56.7709 10.1168 -6.00353 9.05499 -45.652 -24.5885 -1.52529 -20.1523 9.78387 TIMING: 2775000 CPU: 8666.95, 0.00311528/step Wall: 8666.95, 0.00311528/step, 1.92542 hours remaining, 235.093750 MB of memory in use. ENERGY: 2775000 4015.2066 20760.0099 14401.6104 260.2331 -203590.1339 2930.4677 0.0000 0.0000 51864.4366 -109358.1696 298.0656 -161222.6062 -109004.7855 299.1392 212.4763 239.7612 762240.0810 7.1117 6.9676 PRESSURE: 2775200 -67.9524 -89.8694 51.5181 -89.8704 77.6255 -83.1471 51.5187 -83.1467 212.739 GPRESSURE: 2775200 -85.8535 -72.8873 -79.3125 -142.616 143.537 -168.013 68.884 -63.0264 254.988 PRESSAVG: 2775200 56.4381 15.3592 -0.0245153 15.3592 -62.0316 -23.9464 -0.0245207 -23.9465 22.0679 GPRESSAVG: 2775200 55.1844 14.8579 1.89959 15.5191 -60.9736 -23.9173 -2.00157 -24.2155 22.5516 TIMING: 2775200 CPU: 8667.57, 0.00312478/step Wall: 8667.57, 0.00312478/step, 1.93111 hours remaining, 235.093750 MB of memory in use. ENERGY: 2775200 3986.0694 20403.5339 14461.0265 261.1466 -203363.6665 2710.8753 0.0000 0.0000 52223.4676 -109317.5472 300.1290 -161541.0148 -108958.6597 299.5293 74.1374 104.2240 764194.8776 5.4915 5.5875 PRESSURE: 2775400 344.311 85.8001 -55.8548 85.801 117.581 89.7118 -55.8539 89.7114 223.391 GPRESSURE: 2775400 341.362 150.038 -63.9611 -8.86809 136.363 105.703 87.2403 113.549 268.783 PRESSAVG: 2775400 28.6721 -18.7102 -3.91454 -18.7102 6.45744 -70.6905 -3.91448 -70.6906 -5.17954 GPRESSAVG: 2775400 29.4571 -16.3059 -3.38288 -21.1929 6.19604 -70.6736 -3.35788 -70.6186 -5.40426 TIMING: 2775400 CPU: 8668.2, 0.00311327/step Wall: 8668.2, 0.00311327/step, 1.92383 hours remaining, 235.093750 MB of memory in use. ENERGY: 2775400 4044.1927 20516.3344 14453.8610 250.3740 -203467.5080 2804.7534 0.0000 0.0000 52211.3940 -109186.5983 300.0596 -161397.9923 -108836.4905 299.6740 228.4278 248.8360 762154.3523 9.9833 10.0830 PRESSURE: 2775600 -415.785 83.598 25.9014 83.5983 -101.945 171.143 25.9021 171.144 -355.299 GPRESSURE: 2775600 -398.818 69.2195 79.1565 123.757 -119.867 169.741 -108.478 278.553 -251.822 PRESSAVG: 2775600 4.15478 -29.2899 -5.99757 -29.2898 12.5891 13.2284 -5.99757 13.2285 2.31404 GPRESSAVG: 2775600 3.99152 -31.7391 -5.79325 -28.4625 12.2274 13.8418 -6.90415 13.1955 2.42133 TIMING: 2775600 CPU: 8668.82, 0.00312896/step Wall: 8668.82, 0.00312896/step, 1.93335 hours remaining, 235.093750 MB of memory in use. ENERGY: 2775600 3968.6755 20629.6350 14435.7146 233.8712 -203095.9654 2785.0496 0.0000 0.0000 51942.2841 -109100.7354 298.5130 -161043.0195 -108732.1251 299.7509 -291.0096 -256.8356 764349.9694 6.3526 6.2134 PRESSURE: 2775800 153.756 -240.308 -6.78894 -240.308 -241.866 195.154 -6.78883 195.153 106.503 GPRESSURE: 2775800 87.3224 -107.532 -5.39248 -245.437 -67.6674 154.409 -62.3134 187.123 71.9356 PRESSAVG: 2775800 2.35442 4.17654 10.268 4.17653 -8.05454 15.3666 10.268 15.3666 11.2933 GPRESSAVG: 2775800 1.48564 4.44583 8.73203 5.73729 -6.59897 16.2796 10.8458 13.0299 10.6548 TIMING: 2775800 CPU: 8669.45, 0.00311651/step Wall: 8669.45, 0.00311651/step, 1.92549 hours remaining, 235.093750 MB of memory in use. ENERGY: 2775800 3944.7690 20650.0162 14490.4645 248.0107 -203267.5220 2938.3719 0.0000 0.0000 51698.0422 -109297.8476 297.1094 -160995.8897 -108929.2242 299.1751 6.1309 30.5302 763022.4084 1.8644 1.8471 PRESSURE: 2776000 286.804 88.3662 66.0472 88.3655 64.6008 151.187 66.0474 151.186 127.162 GPRESSURE: 2776000 313.746 57.2855 47.7273 -15.7474 122.988 67.6593 100.215 60.2117 131.84 PRESSAVG: 2776000 -27.022 -2.90328 -22.8167 -2.90334 -36.0183 -28.8239 -22.8167 -28.8239 -11.4903 GPRESSAVG: 2776000 -26.1254 -5.7185 -23.4667 -2.43868 -37.8357 -29.6968 -24.6816 -26.7055 -11.0583 TIMING: 2776000 CPU: 8670.07, 0.00312526/step Wall: 8670.07, 0.00312526/step, 1.93071 hours remaining, 235.093750 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: 2776000 3938.4396 20370.6968 14423.0825 241.8514 -203543.7093 2985.4794 0.0000 0.0000 52120.6832 -109463.4764 299.5383 -161584.1596 -109095.9307 298.8572 159.5221 189.5243 762254.0086 -24.8435 -25.0065 PRESSURE: 2776200 -64.0336 84.4267 81.9364 84.4279 -135.467 123.379 81.9358 123.379 139.98 GPRESSURE: 2776200 56.8788 50.229 59.0111 82.2129 -123.819 79.5386 110.576 60.5056 82.4423 PRESSAVG: 2776200 84.0503 6.2396 5.07644 6.23959 -34.8332 7.68688 5.07644 7.68683 -11.2217 GPRESSAVG: 2776200 84.1986 7.03694 6.58756 7.45353 -34.5567 7.9618 7.23777 8.09894 -11.2603 TIMING: 2776200 CPU: 8670.69, 0.00310029/step Wall: 8670.69, 0.00310029/step, 1.91512 hours remaining, 235.093750 MB of memory in use. ENERGY: 2776200 3963.1632 20475.7480 14448.3424 255.3236 -202923.2200 2580.3689 0.0000 0.0000 51824.5436 -109375.7303 297.8364 -161200.2739 -109009.1802 298.7191 -19.8401 5.1674 761988.6066 12.6651 12.7939 LDB: ============= START OF LOAD BALANCING ============== 8683.17 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8683.17 LDB: =============== DONE WITH MIGRATION ================ 8683.17 LDB: ============= START OF LOAD BALANCING ============== 8683.48 LDB: Largest compute 7041 load 0.029705 is 15.2% of average load 0.195023 LDB: Average compute 0.004391 is 2.3% of average load 0.195023 LDB: TIME 8683.48 LOAD: AVG 0.195023 MAX 0.217051 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 232.961 MB LDB: TIME 8683.49 LOAD: AVG 0.195023 MAX 0.217051 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.965 MB LDB: TIME 8683.49 LOAD: AVG 0.195023 MAX 0.217051 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.965 MB LDB: ============== END OF LOAD BALANCING =============== 8683.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8683.49 PRESSURE: 2776400 -256.789 -139.829 -213.788 -139.828 -178.022 273.168 -213.788 273.167 -394.397 GPRESSURE: 2776400 -186.106 82.3981 -124.85 -171.57 -222.618 220.836 -166.215 191.295 -332.011 PRESSAVG: 2776400 40.3903 30.6871 -28.1406 30.6871 9.01571 -6.81611 -28.1405 -6.81607 -8.03237 GPRESSAVG: 2776400 39.8272 33.2899 -28.1776 29.0741 9.83606 -6.19799 -29.8423 -8.27982 -8.70435 TIMING: 2776400 CPU: 8671.33, 0.00318019/step Wall: 8671.33, 0.00318019/step, 1.9643 hours remaining, 233.933594 MB of memory in use. ENERGY: 2776400 3954.9738 20432.3029 14520.1684 237.3911 -203143.3321 2614.7061 0.0000 0.0000 51950.2393 -109433.5505 298.5587 -161383.7898 -109069.6633 298.5197 -276.4027 -246.9116 764263.4324 13.7912 13.6530 PRESSURE: 2776600 70.2073 -58.7181 -117.578 -58.718 -273.237 -144.779 -117.579 -144.78 -233.365 GPRESSURE: 2776600 -25.4398 -152.364 -113.612 -81.5992 -203.987 -184.901 -169.926 5.09996 -112.861 PRESSAVG: 2776600 28.0567 33.8968 -26.3884 33.8968 -10.2661 -10.195 -26.3884 -10.195 -8.35916 GPRESSAVG: 2776600 28.1254 34.4681 -26.0168 34.4931 -10.6181 -10.8102 -24.9733 -8.4243 -8.32966 TIMING: 2776600 CPU: 8671.95, 0.00309762/step Wall: 8671.95, 0.00309762/step, 1.91313 hours remaining, 233.933594 MB of memory in use. ENERGY: 2776600 4000.4093 20603.7213 14373.0224 242.5534 -203606.7579 2792.3942 0.0000 0.0000 52024.5209 -109570.1364 298.9856 -161594.6573 -109204.0901 298.8589 -145.4648 -114.0959 761066.6917 3.1438 3.0592 PRESSURE: 2776800 -391.187 -85.399 193.939 -85.3996 -93.4189 -172.185 193.939 -172.186 35.7878 GPRESSURE: 2776800 -289.891 14.914 204.048 -50.6503 -118.359 -215.849 213.532 -32.8708 36.5753 PRESSAVG: 2776800 25.3348 0.909396 4.79094 0.909414 -31.5529 -19.6818 4.79093 -19.6817 4.98397 GPRESSAVG: 2776800 24.1577 -0.497521 3.85963 0.0695736 -31.1407 -18.5864 4.00293 -21.3793 5.53614 TIMING: 2776800 CPU: 8672.56, 0.00309254/step Wall: 8672.56, 0.00309254/step, 1.90982 hours remaining, 233.933594 MB of memory in use. ENERGY: 2776800 3919.3593 20505.4135 14404.6121 246.2268 -202913.0118 2352.0905 0.0000 0.0000 52043.3467 -109441.9628 299.0938 -161485.3095 -109081.2058 298.7951 -149.6059 -123.8917 764652.5098 -0.4114 -0.4823 PRESSURE: 2777000 79.5975 -153.574 53.0781 -153.574 189.842 74.5349 53.0785 74.5346 289.518 GPRESSURE: 2777000 115.618 -62.9892 126.508 -137.757 240.107 7.69819 -2.47578 26.4092 283.415 PRESSAVG: 2777000 -2.96766 -24.2133 -21.6801 -24.2134 -1.14776 -1.40398 -21.6801 -1.40404 -12.3774 GPRESSAVG: 2777000 -3.76768 -25.743 -23.3861 -24.2294 -0.906859 -1.74349 -19.782 -1.19078 -11.4685 TIMING: 2777000 CPU: 8673.19, 0.00310984/step Wall: 8673.19, 0.00310984/step, 1.92033 hours remaining, 233.933594 MB of memory in use. ENERGY: 2777000 3947.7045 20532.3528 14467.8077 245.2715 -203573.5984 3095.6943 0.0000 0.0000 51820.2620 -109464.5056 297.8118 -161284.7676 -109113.2833 299.1052 186.3194 213.0470 760805.7327 -5.4976 -5.3810 PRESSURE: 2777200 136.18 -168.038 192.677 -168.038 294.744 -16.175 192.676 -16.1745 -102.103 GPRESSURE: 2777200 194.846 -93.0261 135.144 -114.919 271.323 59.1553 199.887 4.77702 -36.368 PRESSAVG: 2777200 44.511 -51.959 -3.59132 -51.959 -34.8045 6.98105 -3.59131 6.98125 -13.734 GPRESSAVG: 2777200 45.5835 -48.1148 -2.61459 -52.9738 -35.0802 8.30395 -6.60265 7.10347 -14.8722 TIMING: 2777200 CPU: 8673.81, 0.00311309/step Wall: 8673.81, 0.00311309/step, 1.92216 hours remaining, 233.933594 MB of memory in use. ENERGY: 2777200 3915.5471 20681.5237 14401.9203 245.1576 -203578.3155 2954.6193 0.0000 0.0000 52114.4263 -109265.1212 299.5023 -161379.5475 -108898.3619 299.6944 109.6074 143.2672 761735.3400 -1.3425 -1.4563 PRESSURE: 2777400 29.4934 -43.8402 -171.98 -43.8397 274.637 163.719 -171.98 163.719 273.332 GPRESSURE: 2777400 116.593 -8.10552 -108.801 37.5077 295.738 83.2738 -172.813 86.9229 248.77 PRESSAVG: 2777400 85.3048 -25.5206 -0.944458 -25.5205 -28.5357 -21.573 -0.944536 -21.573 29.0943 GPRESSAVG: 2777400 86.7693 -26.517 0.529995 -24.9774 -30.4347 -22.9429 -0.0443565 -21.9139 29.6815 TIMING: 2777400 CPU: 8674.43, 0.00310825/step Wall: 8674.43, 0.00310825/step, 1.919 hours remaining, 233.933594 MB of memory in use. ENERGY: 2777400 3995.8130 20517.3570 14459.4688 245.8227 -203725.3145 3103.3586 0.0000 0.0000 52094.1174 -109309.3772 299.3856 -161403.4946 -108954.7198 299.5313 192.4874 220.3672 761649.8511 28.6212 28.6720 PRESSURE: 2777600 -110.011 108.061 133.284 108.062 -259.221 -196.883 133.284 -196.883 -46.3717 GPRESSURE: 2777600 -111.318 54.9766 192.588 142.643 -148.028 -163.644 139.853 -132.057 -62.0745 PRESSAVG: 2777600 58.0676 1.4305 -20.3903 1.43055 -61.8603 1.18761 -20.3903 1.18754 -0.582051 GPRESSAVG: 2777600 57.1864 1.27907 -19.72 3.54086 -59.3782 1.62437 -20.2236 2.77117 -1.56553 TIMING: 2777600 CPU: 8675.05, 0.00310823/step Wall: 8675.05, 0.00310823/step, 1.91882 hours remaining, 233.933594 MB of memory in use. ENERGY: 2777600 4041.6694 20518.0416 14366.3053 241.2657 -203522.0458 2709.6620 0.0000 0.0000 52171.8349 -109473.2668 299.8323 -161645.1018 -109113.5105 299.7337 -138.5344 -107.1401 762486.9568 -1.4582 -1.2524 PRESSURE: 2777800 -11.7204 167.488 21.3834 167.488 86.7554 -86.0497 21.3838 -86.0493 296.704 GPRESSURE: 2777800 62.7257 24.7837 -67.7671 157.406 97.0022 -70.0286 3.46382 11.0862 291.953 PRESSAVG: 2777800 -11.7062 5.94296 -29.4821 5.94292 -16.7472 -13.1016 -29.482 -13.1016 24.0206 GPRESSAVG: 2777800 -11.7723 3.86127 -31.4427 3.69279 -17.1206 -12.5172 -29.6153 -13.1928 24.4672 TIMING: 2777800 CPU: 8675.68, 0.00312117/step Wall: 8675.68, 0.00312117/step, 1.92663 hours remaining, 233.933594 MB of memory in use. ENERGY: 2777800 3927.0128 20482.0948 14477.5604 265.8011 -203395.0408 2723.6065 0.0000 0.0000 51998.2381 -109520.7271 298.8346 -161518.9652 -109157.2396 299.1052 123.9129 150.5604 762679.8982 -1.4776 -1.4752 PRESSURE: 2778000 282.41 111.282 -71.0275 111.282 225.697 -27.1999 -71.0267 -27.2001 -131.912 GPRESSURE: 2778000 234.144 86.2529 12.2952 77.001 254.434 -83.0316 -27.8556 47.1716 -32.539 PRESSAVG: 2778000 111.831 -40.172 15.7609 -40.172 -78.3424 46.8011 15.7609 46.8011 -13.3948 GPRESSAVG: 2778000 111.38 -41.7889 17.3089 -38.966 -78.2254 45.8108 14.8118 45.6513 -14.0645 TIMING: 2778000 CPU: 8676.3, 0.00314051/step Wall: 8676.3, 0.00314051/step, 1.93839 hours remaining, 233.933594 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: 2778000 4071.5143 20407.1371 14452.3743 261.5299 -204117.2997 3301.0442 0.0000 0.0000 52203.4326 -109420.2674 300.0138 -161623.7000 -109058.1886 299.1379 125.3982 152.0128 761781.9609 6.6980 6.3635 PRESSURE: 2778200 11.478 22.0825 10.9245 22.0826 -231.611 62.2284 10.9245 62.2281 134.367 GPRESSURE: 2778200 83.2876 59.3357 -35.9007 80.6551 -200.857 163.786 33.7072 -15.6072 113.343 PRESSAVG: 2778200 26.2514 -32.1539 -48.3585 -32.1539 29.1208 -4.91048 -48.3585 -4.91054 16.1401 GPRESSAVG: 2778200 26.5906 -31.3584 -50.2602 -32.8203 28.5064 -4.54759 -47.002 -3.38866 16.1082 TIMING: 2778200 CPU: 8676.93, 0.00313246/step Wall: 8676.93, 0.00313246/step, 1.93325 hours remaining, 233.933594 MB of memory in use. ENERGY: 2778200 4051.0358 20400.6907 14459.7576 260.4991 -203187.6381 2610.2196 0.0000 0.0000 51929.3275 -109476.1079 298.4386 -161405.4354 -109121.6659 298.9297 -28.5888 -1.4087 763739.4324 23.8374 23.7351 PRESSURE: 2778400 270.317 84.3177 57.5027 84.3175 97.4063 -20.4288 57.5022 -20.4294 -157.39 GPRESSURE: 2778400 210.466 17.2502 60.785 169.317 215.743 -17.8059 103.896 -151.739 -141.294 PRESSAVG: 2778400 24.7693 5.75242 32.0759 5.75237 -37.4601 -16.5221 32.0759 -16.522 11.5535 GPRESSAVG: 2778400 24.4668 7.11942 33.2105 6.56292 -37.592 -16.304 30.3594 -19.1358 11.9845 TIMING: 2778400 CPU: 8677.56, 0.00312327/step Wall: 8677.56, 0.00312327/step, 1.92741 hours remaining, 233.933594 MB of memory in use. ENERGY: 2778400 4033.6235 20479.4172 14403.5217 259.5658 -203521.7370 2859.2639 0.0000 0.0000 51911.7458 -109574.5991 298.3375 -161486.3449 -109218.4520 298.7078 70.1111 94.9719 764232.2619 -0.3791 -0.3802 PRESSURE: 2778600 -21.6388 111.759 -48.1293 111.759 -297.782 -201.111 -48.1286 -201.111 -356.348 GPRESSURE: 2778600 -40.6855 87.1461 -114.076 118.381 -174.785 -254.256 -34.3233 -221.618 -379.347 PRESSAVG: 2778600 -3.69508 -0.406053 28.0193 -0.406092 4.21585 32.3956 28.0194 32.3957 10.6232 GPRESSAVG: 2778600 -3.51201 0.751683 28.5346 -2.025 4.45294 32.8658 28.2407 32.4185 10.4861 TIMING: 2778600 CPU: 8678.18, 0.00311384/step Wall: 8678.18, 0.00311384/step, 1.92141 hours remaining, 233.933594 MB of memory in use. ENERGY: 2778600 4037.6034 20338.0577 14349.8058 253.2594 -203576.2872 2667.9531 0.0000 0.0000 52176.9647 -109752.6430 299.8617 -161929.6077 -109385.6954 298.3507 -225.2564 -198.2724 762637.4934 3.7147 3.8090 PRESSURE: 2778800 283.589 -90.9613 232.457 -90.9609 -166.148 -183.971 232.457 -183.971 135.171 GPRESSURE: 2778800 264.627 -71.4072 235.189 92.5948 -91.3594 -148.668 206.681 -122.284 174.074 PRESSAVG: 2778800 -30.5373 -7.07607 -27.0337 -7.07608 40.2766 23.284 -27.0336 23.284 0.632156 GPRESSAVG: 2778800 -30.2358 -7.11103 -26.5602 -6.38268 39.7709 24.0557 -27.54 23.0278 0.768559 TIMING: 2778800 CPU: 8678.8, 0.00309508/step Wall: 8678.8, 0.00309508/step, 1.90967 hours remaining, 233.933594 MB of memory in use. ENERGY: 2778800 3908.7788 20336.8453 14315.0824 243.9652 -203311.8908 2928.4809 0.0000 0.0000 51724.5266 -109854.2116 297.2616 -161578.7382 -109500.7718 297.9673 84.2037 115.7805 762138.9548 3.4572 3.4346 PRESSURE: 2779000 -62.4004 9.57242 -48.1739 9.57293 -336.969 -75.5598 -48.1738 -75.5617 -244.578 GPRESSURE: 2779000 -104.494 129.363 29.8006 6.52116 -219.126 -73.7401 70.0323 -32.7602 -230.508 PRESSAVG: 2779000 -45.5828 -0.808821 11.0818 -0.80883 61.5007 31.239 11.0817 31.2389 -25.5722 GPRESSAVG: 2779000 -46.0744 0.00515672 10.948 -2.04774 62.8878 29.5368 13.7707 31.3571 -26.169 TIMING: 2779000 CPU: 8679.42, 0.00311178/step Wall: 8679.42, 0.00311178/step, 1.9198 hours remaining, 233.933594 MB of memory in use. ENERGY: 2779000 3920.4428 20261.8258 14444.3876 243.7822 -203216.1632 2677.3071 0.0000 0.0000 51971.7290 -109696.6887 298.6822 -161668.4177 -109338.5780 298.0837 -214.6492 -184.7091 763946.6622 -3.2181 -3.1185 PRESSURE: 2779200 -201.965 -135.427 60.6061 -135.426 304.703 -300.265 60.6062 -300.264 4.94597 GPRESSURE: 2779200 -175.863 -132.737 107.699 -115.942 327.265 -302.034 35.9025 -212.618 22.0193 PRESSAVG: 2779200 19.0701 2.22718 -27.7441 2.22715 -6.11217 9.09768 -27.744 9.09772 8.58329 GPRESSAVG: 2779200 21.1882 1.01461 -29.1052 1.50215 -7.12449 10.4785 -28.1848 9.19675 7.67189 TIMING: 2779200 CPU: 8680.04, 0.00310279/step Wall: 8680.04, 0.00310279/step, 1.91408 hours remaining, 233.933594 MB of memory in use. ENERGY: 2779200 3985.9567 20357.5113 14307.3910 242.8591 -203212.4316 2816.6867 0.0000 0.0000 51973.5456 -109528.4812 298.6927 -161502.0268 -109172.7554 298.3849 35.8948 57.8071 763518.5201 7.1804 7.2452 PRESSURE: 2779400 -371.875 49.2772 274.438 49.2761 -475.407 -226.084 274.437 -226.085 -86.6751 GPRESSURE: 2779400 -375.232 85.8574 298.927 -63.8848 -413.178 -245.909 67.668 -120.775 -49.1586 PRESSAVG: 2779400 40.7022 -35.485 -47.6501 -35.4849 -29.2986 -19.0185 -47.6501 -19.0185 26.6769 GPRESSAVG: 2779400 39.9552 -35.0629 -47.0083 -34.2275 -29.0262 -17.7082 -47.332 -19.2413 27.4332 TIMING: 2779400 CPU: 8680.66, 0.00310832/step Wall: 8680.66, 0.00310832/step, 1.91731 hours remaining, 233.933594 MB of memory in use. ENERGY: 2779400 3952.2868 20571.3420 14371.3429 232.0242 -203055.1336 2373.0400 0.0000 0.0000 51725.5779 -109829.5199 297.2676 -161555.0978 -109469.8021 297.7601 -311.3190 -279.1894 764031.4138 12.6935 12.7874 PRESSURE: 2779600 -512.731 -89.764 182.954 -89.7643 -210.35 80.3619 182.954 80.3617 -412.484 GPRESSURE: 2779600 -408.27 -69.8817 143.439 -48.2254 -137.583 100.912 74.1706 -63.1787 -514.635 PRESSAVG: 2779600 -18.1824 -2.87831 62.1462 -2.87833 -28.9704 -14.9444 62.1462 -14.9445 -2.32316 GPRESSAVG: 2779600 -18.2316 -2.98371 62.3565 -2.04808 -28.5008 -15.1364 62.265 -12.4041 -2.85972 TIMING: 2779600 CPU: 8681.29, 0.00312262/step Wall: 8681.29, 0.00312262/step, 1.92596 hours remaining, 233.933594 MB of memory in use. ENERGY: 2779600 3902.0577 20376.6952 14463.5284 228.7000 -203492.7030 2690.6431 0.0000 0.0000 52013.2217 -109817.8571 298.9207 -161831.0787 -109439.3343 297.9589 -378.5217 -353.4962 763587.8509 -16.4920 -16.5307 PRESSURE: 2779800 163.852 80.6239 -148.336 80.624 -353.994 -114.367 -148.337 -114.367 -88.7469 GPRESSURE: 2779800 38.476 6.30769 -50.6963 74.3028 -254.018 -149.137 -120.678 37.481 31.5373 PRESSAVG: 2779800 25.7513 -31.6473 23.6632 -31.6473 -11.0967 -11.7575 23.6632 -11.7574 -8.20749 GPRESSAVG: 2779800 25.2739 -31.9975 24.1682 -32.2881 -10.5603 -12.5649 25.242 -12.67 -8.77643 TIMING: 2779800 CPU: 8681.91, 0.00311108/step Wall: 8681.91, 0.00311108/step, 1.91868 hours remaining, 233.933594 MB of memory in use. ENERGY: 2779800 4050.6014 20446.9209 14402.0076 246.0060 -203316.8257 2711.6170 0.0000 0.0000 51776.9188 -109682.7539 297.5627 -161459.6728 -109336.4329 298.3427 -92.9629 -61.3349 763351.3333 2.1491 1.9791 PRESSURE: 2780000 11.3074 5.47739 -30.0601 5.47752 -221.201 -32.9753 -30.0602 -32.9753 -345.928 GPRESSURE: 2780000 64.0783 54.0672 -177.223 34.8106 -148.787 -29.7682 63.4771 -62.0122 -378.032 PRESSAVG: 2780000 39.8321 13.3959 3.21416 13.396 -31.4648 14.6897 3.21414 14.6897 9.75126 GPRESSAVG: 2780000 40.1207 10.7677 3.42941 15.0035 -31.3822 15.8912 2.15304 13.7277 8.97857 TIMING: 2780000 CPU: 8682.53, 0.00311892/step Wall: 8682.53, 0.00311892/step, 1.92333 hours remaining, 233.933594 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: 2780000 4029.0706 20331.6418 14436.2309 245.5474 -203308.5637 2656.8625 0.0000 0.0000 51754.5292 -109854.6814 297.4340 -161609.2105 -109496.7035 298.1569 -185.2738 -154.2470 765073.1682 6.0395 5.9057 PRESSURE: 2780200 436.661 56.0085 -51.655 56.0086 253.304 -65.8223 -51.6544 -65.8224 80.0224 GPRESSURE: 2780200 439.088 3.71393 -57.4623 12.818 299.093 -60.5374 -11.9479 0.962945 116.726 PRESSAVG: 2780200 -0.194504 -13.6256 9.81702 -13.6256 -56.3113 15.4669 9.81701 15.4668 -13.9834 GPRESSAVG: 2780200 0.382623 -11.6813 8.52614 -14.6306 -57.8825 13.0915 8.06503 17.6614 -12.4481 TIMING: 2780200 CPU: 8683.16, 0.00312724/step Wall: 8683.16, 0.00312724/step, 1.92829 hours remaining, 233.933594 MB of memory in use. ENERGY: 2780200 3930.4650 20593.8840 14388.9689 261.2309 -203434.2822 2830.5800 0.0000 0.0000 51671.1031 -109758.0503 296.9545 -161429.1534 -109402.3694 297.8340 256.6623 284.9687 762071.1528 -23.4964 -23.3160 LDB: ============= START OF LOAD BALANCING ============== 8695.64 LDB: ============== END OF LOAD BALANCING =============== 8695.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8695.64 LDB: ============= START OF LOAD BALANCING ============== 8695.95 LDB: Largest compute 7051 load 0.030647 is 15.7% of average load 0.195033 LDB: Average compute 0.004393 is 2.3% of average load 0.195033 LDB: TIME 8695.96 LOAD: AVG 0.195033 MAX 0.220288 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.277 MB LDB: TIME 8695.96 LOAD: AVG 0.195033 MAX 0.220288 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.371 MB LDB: TIME 8695.96 LOAD: AVG 0.195033 MAX 0.21494 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.371 MB LDB: ============== END OF LOAD BALANCING =============== 8695.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8695.96 PRESSURE: 2780400 131.232 80.1192 -261.155 80.1193 -263.692 5.89102 -261.155 5.89035 -82.5843 GPRESSURE: 2780400 -6.03419 78.0932 -234.124 96.3762 -150.271 -8.43089 -272.212 -36.1104 -12.0625 PRESSAVG: 2780400 17.7059 26.0727 26.7361 26.0727 -30.1603 23.0439 26.7362 23.0439 -6.86574 GPRESSAVG: 2780400 16.826 25.783 27.0554 25.8685 -29.7082 23.7232 26.8266 19.9104 -6.99507 TIMING: 2780400 CPU: 8683.8, 0.00319636/step Wall: 8683.8, 0.00319635/step, 1.97073 hours remaining, 233.742188 MB of memory in use. ENERGY: 2780400 3905.1820 20464.6841 14480.2363 244.1419 -203544.9962 2705.1186 0.0000 0.0000 52087.8073 -109657.8261 299.3493 -161745.6333 -109294.2064 298.5142 -71.6817 -56.1227 763269.3660 -6.4400 -6.6258 PRESSURE: 2780600 -96.1469 -291.095 60.2392 -291.094 -133.708 40.409 60.2397 40.41 107.023 GPRESSURE: 2780600 -24.6735 -207.077 -8.57783 -276.342 -111.181 -24.741 36.6912 150.256 123.786 PRESSAVG: 2780600 -17.4817 -43.5099 -1.88365 -43.5099 -15.683 28.5192 -1.88369 28.5191 17.7786 GPRESSAVG: 2780600 -17.3659 -42.4481 -2.83082 -44.2635 -15.9325 29.1912 -1.5123 28.667 18.1521 TIMING: 2780600 CPU: 8684.42, 0.0031152/step Wall: 8684.42, 0.0031152/step, 1.92052 hours remaining, 233.742188 MB of memory in use. ENERGY: 2780600 3940.6403 20393.6194 14394.4507 262.1693 -203610.3164 2833.5857 0.0000 0.0000 52032.9509 -109752.9000 299.0341 -161785.8509 -109384.6211 298.1931 -40.9441 -4.0227 763409.8470 -5.1287 -5.0488 PRESSURE: 2780800 -6.71285 -202.91 150.453 -202.91 -286.127 -164.701 150.453 -164.701 -170.105 GPRESSURE: 2780800 27.7037 -221.361 144.748 -104.317 -301.666 -85.4942 196.644 -43.7886 -105.033 PRESSAVG: 2780800 80.2399 -44.3585 20.3713 -44.3585 -94.2189 -17.7534 20.3713 -17.7533 -19.9387 GPRESSAVG: 2780800 79.4993 -44.4467 23.7853 -43.5614 -93.6551 -18.1001 21.1459 -16.1646 -20.1026 TIMING: 2780800 CPU: 8685.04, 0.00310475/step Wall: 8685.04, 0.00310475/step, 1.91391 hours remaining, 233.742188 MB of memory in use. ENERGY: 2780800 3981.2803 20545.9722 14423.8436 252.6911 -203365.2625 2674.7097 0.0000 0.0000 52033.1557 -109453.6098 299.0353 -161486.7655 -109091.6372 298.9961 -154.3151 -126.3316 764244.6204 -11.3059 -11.4195 PRESSURE: 2781000 -285.779 -145.821 175.023 -145.82 -394.521 -104.459 175.023 -104.46 -62.6537 GPRESSURE: 2781000 -92.004 -190.14 170.978 -163.326 -456.728 -104.032 70.4487 -223.107 -115.665 PRESSAVG: 2781000 69.3173 -11.3374 -26.723 -11.3374 -24.1727 -14.1819 -26.723 -14.1818 1.56539 GPRESSAVG: 2781000 70.7465 -10.2264 -29.0036 -12.5174 -25.4998 -13.3054 -28.2127 -14.7861 1.40486 TIMING: 2781000 CPU: 8685.66, 0.00310984/step Wall: 8685.66, 0.00310984/step, 1.91687 hours remaining, 233.742188 MB of memory in use. ENERGY: 2781000 4036.3351 20558.3468 14379.2905 239.1272 -203521.1547 2721.3990 0.0000 0.0000 51984.9157 -109601.7405 298.7580 -161586.6562 -109250.6246 299.2090 -247.6513 -221.4656 762696.8807 15.5700 15.5505 PRESSURE: 2781200 244.961 -21.3106 -16.1697 -21.3109 -229.316 53.984 -16.1691 53.9849 -320.106 GPRESSURE: 2781200 131.569 -44.1412 -3.5437 -99.4428 -81.8603 98.1949 -19.221 -23.1736 -252.552 PRESSAVG: 2781200 12.7357 -36.6635 20.435 -36.6634 -28.4977 -27.9765 20.435 -27.9765 5.47324 GPRESSAVG: 2781200 10.9052 -38.9752 20.467 -35.7177 -26.7472 -27.5934 23.2481 -28.6694 6.18289 TIMING: 2781200 CPU: 8686.28, 0.00309263/step Wall: 8686.28, 0.00309262/step, 1.90609 hours remaining, 233.742188 MB of memory in use. ENERGY: 2781200 4067.2435 20458.0698 14405.2768 236.9137 -203429.6619 2839.9178 0.0000 0.0000 52101.4739 -109320.7666 299.4279 -161422.2404 -108958.7260 299.2349 -101.4870 -67.6142 762826.1472 -3.4296 -3.2197 PRESSURE: 2781400 322.56 -20.9291 -210.353 -20.9291 154.74 77.1842 -210.353 77.1836 20.2651 GPRESSURE: 2781400 376.968 -54.4405 -283.454 -50.4321 126.136 12.1687 -109.334 118.87 90.8665 PRESSAVG: 2781400 4.56297 -15.4034 -10.2999 -15.4034 -14.5954 14.4923 -10.2999 14.4923 -16.7568 GPRESSAVG: 2781400 6.13526 -12.9996 -10.9893 -14.7655 -15.0315 14.013 -12.2697 14.3873 -17.7409 TIMING: 2781400 CPU: 8686.9, 0.00309362/step Wall: 8686.9, 0.00309362/step, 1.90653 hours remaining, 233.742188 MB of memory in use. ENERGY: 2781400 4015.9220 20592.0573 14378.3422 250.0854 -203596.2906 2840.5277 0.0000 0.0000 52118.6304 -109400.7256 299.5265 -161519.3560 -109039.5074 299.4676 165.8551 197.9903 762985.7859 -8.9297 -8.8790 PRESSURE: 2781600 -113.361 281.602 161.465 281.602 -79.1268 153.818 161.465 153.819 20.5331 GPRESSURE: 2781600 -64.9837 297.971 156.903 138.242 60.6922 103.724 217.239 119.241 -97.0192 PRESSAVG: 2781600 36.181 -3.02386 -0.787244 -3.02387 21.5757 0.762228 -0.787218 0.762285 12.1709 GPRESSAVG: 2781600 35.5447 -3.55173 0.423129 -5.10127 21.4573 0.00993689 0.468682 -0.148427 12.3342 TIMING: 2781600 CPU: 8687.52, 0.00311538/step Wall: 8687.52, 0.00311538/step, 1.91976 hours remaining, 233.742188 MB of memory in use. ENERGY: 2781600 3939.1506 20385.7295 14422.2489 233.0488 -203755.8640 3021.0910 0.0000 0.0000 52229.3140 -109525.2811 300.1626 -161754.5951 -109160.9632 299.5892 -57.3184 -33.7702 763346.4097 23.3092 23.1121 PRESSURE: 2781800 101.835 -187.699 283.157 -187.7 50.1524 12.5267 283.157 12.5268 -299.476 GPRESSURE: 2781800 146.344 -117.873 187.995 -53.72 -40.1047 39.5081 215.105 61.515 -177.975 PRESSAVG: 2781800 -0.630101 -37.118 45.6403 -37.118 6.48293 29.1537 45.6403 29.1537 11.1651 GPRESSAVG: 2781800 -0.898661 -37.532 45.9608 -36.22 6.24429 30.4206 45.5025 30.9476 11.3838 TIMING: 2781800 CPU: 8688.15, 0.00310749/step Wall: 8688.15, 0.00310749/step, 1.91473 hours remaining, 233.742188 MB of memory in use. ENERGY: 2781800 3983.5915 20648.6218 14387.3956 237.3739 -203738.2544 2930.1424 0.0000 0.0000 52002.8050 -109548.3241 298.8608 -161551.1291 -109194.2597 299.0235 -49.1631 -23.9119 763714.8266 5.6726 5.5765 PRESSURE: 2782000 231.256 -145.366 36.6959 -145.366 -159.307 -123.373 36.6969 -123.373 112.96 GPRESSURE: 2782000 194.828 -90.0578 82.9251 -68.5564 -101.256 -104.142 103.332 -106.936 152.275 PRESSAVG: 2782000 26.8171 -17.422 -16.2239 -17.422 -38.2775 -36.0959 -16.2239 -36.0958 1.73255 GPRESSAVG: 2782000 26.7572 -16.9341 -16.6162 -14.9085 -38.4865 -37.0107 -18.4381 -35.4659 2.04723 TIMING: 2782000 CPU: 8688.76, 0.00308121/step Wall: 8688.76, 0.00308121/step, 1.89837 hours remaining, 233.742188 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: 2782000 3973.5925 20659.6915 14427.4528 261.3397 -203596.5688 2858.3873 0.0000 0.0000 51831.5668 -109584.5383 297.8767 -161416.1051 -109220.4989 298.8410 61.6361 81.9490 763804.2662 -3.2426 -3.2273 PRESSURE: 2782200 -176.456 -98.948 184.305 -98.9483 -83.3745 -9.88153 184.304 -9.87946 328 GPRESSURE: 2782200 -77.9751 0.258637 237.699 -60.2871 -96.737 -58.4843 222.373 41.587 289.454 PRESSAVG: 2782200 8.69259 -27.0212 -0.514889 -27.0212 -5.40418 10.0557 -0.514847 10.0558 11.6313 GPRESSAVG: 2782200 10.5457 -28.0838 -0.348519 -26.0702 -5.41873 10.7712 2.54732 9.76779 9.95749 TIMING: 2782200 CPU: 8689.38, 0.00310039/step Wall: 8689.38, 0.00310039/step, 1.91001 hours remaining, 233.742188 MB of memory in use. ENERGY: 2782200 3920.8792 20537.2412 14365.4274 236.5306 -203276.8496 2660.2079 0.0000 0.0000 51918.5072 -109638.0561 298.3764 -161556.5633 -109276.7086 298.4781 22.7230 38.2473 763859.0117 4.9732 5.0281 PRESSURE: 2782400 6.81943 64.6073 199.217 64.6078 77.6026 65.4828 199.216 65.4805 -145.317 GPRESSURE: 2782400 76.9702 55.0466 171.859 -22.7955 60.4457 127.773 197.618 8.65341 -148.161 PRESSAVG: 2782400 -0.757659 13.1081 30.8384 13.1081 -13.5889 -1.58655 30.8384 -1.58653 -14.4057 GPRESSAVG: 2782400 -3.96853 15.1018 30.5554 11.1043 -11.7897 -3.03541 30.3144 -2.38714 -13.0536 TIMING: 2782400 CPU: 8690, 0.00311121/step Wall: 8690, 0.00311121/step, 1.9165 hours remaining, 233.742188 MB of memory in use. ENERGY: 2782400 3931.6864 20519.0747 14364.7334 257.7372 -203331.4354 2747.7109 0.0000 0.0000 51738.7482 -109771.7446 297.3433 -161510.4928 -109410.5381 298.4459 -20.2982 -3.5817 764000.0522 -9.5841 -9.6040 PRESSURE: 2782600 134.871 170.093 -203.82 170.094 -18.676 127.457 -203.82 127.457 266.552 GPRESSURE: 2782600 206.706 98.0973 -150.519 41.8637 16.3992 95.1321 -207.827 153.406 240.383 PRESSAVG: 2782600 -23.936 16.8156 -14.3023 16.8157 44.048 -31.5263 -14.3023 -31.5264 13.0717 GPRESSAVG: 2782600 -22.5019 14.0088 -14.5744 14.7376 42.9938 -32.0564 -14.8635 -32.042 12.7897 TIMING: 2782600 CPU: 8690.62, 0.00309778/step Wall: 8690.62, 0.00309778/step, 1.90806 hours remaining, 233.742188 MB of memory in use. ENERGY: 2782600 3956.2919 20184.0035 14448.4714 238.2231 -203307.4909 2959.3588 0.0000 0.0000 51676.5158 -109844.6265 296.9856 -161521.1423 -109483.3359 298.2991 127.5824 154.4959 762280.2796 11.0612 11.0939 PRESSURE: 2782800 -54.9823 138.058 -76.6538 138.058 -113.364 2.6511 -76.6535 2.65049 141.575 GPRESSURE: 2782800 59.0944 139.053 -135.379 110.384 -120.105 10.221 -69.993 55.5918 125.707 PRESSAVG: 2782800 -18.4895 -35.8985 18.2565 -35.8985 20.0983 -55.8153 18.2565 -55.8153 2.36223 GPRESSAVG: 2782800 -17.6339 -33.9914 18.1011 -33.8478 19.4074 -54.0922 17.16 -55.8264 1.63525 TIMING: 2782800 CPU: 8691.25, 0.00311954/step Wall: 8691.25, 0.00311954/step, 1.92129 hours remaining, 233.742188 MB of memory in use. ENERGY: 2782800 3957.7179 20374.6906 14484.1329 248.3158 -203589.4728 2770.0472 0.0000 0.0000 52064.2203 -109690.3482 299.2138 -161754.5685 -109327.2283 298.0251 -8.9236 21.5653 762655.4416 1.3237 1.1363 PRESSURE: 2783000 -386.421 151.341 -71.1756 151.34 -237.95 128.651 -71.1757 128.651 -60.8672 GPRESSURE: 2783000 -390.608 183.363 -47.2541 282.833 -211.445 99.2722 -82.9528 135.062 5.87195 PRESSAVG: 2783000 26.168 -9.21225 -23.8177 -9.21221 -40.1784 -43.052 -23.8177 -43.0519 -2.24865 GPRESSAVG: 2783000 25.2859 -9.03688 -23.1498 -9.03694 -40.6455 -44.2466 -25.4363 -43.2839 -0.327064 TIMING: 2783000 CPU: 8691.87, 0.00310125/step Wall: 8691.87, 0.00310125/step, 1.90985 hours remaining, 233.742188 MB of memory in use. ENERGY: 2783000 4020.2777 20341.0210 14433.8551 248.2680 -203516.8866 2779.3600 0.0000 0.0000 51937.2481 -109756.8567 298.4841 -161694.1048 -109396.8275 298.2409 -228.4129 -198.7269 762212.1588 -5.4197 -5.2289 PRESSURE: 2783200 210.393 -78.5101 55.5616 -78.5105 103.14 140.421 55.5607 140.421 -350.54 GPRESSURE: 2783200 231.595 -17.6811 43.1423 -53.947 204.335 49.7638 33.8829 -2.93606 -395.571 PRESSAVG: 2783200 -9.42396 -10.1558 -70.9776 -10.1559 -14.9805 19.8518 -70.9776 19.8518 15.5292 GPRESSAVG: 2783200 -9.52605 -10.8889 -71.7043 -10.5653 -13.9169 19.1398 -68.6167 21.8507 14.627 TIMING: 2783200 CPU: 8692.49, 0.00312098/step Wall: 8692.49, 0.00312098/step, 1.92183 hours remaining, 233.742188 MB of memory in use. ENERGY: 2783200 4001.1220 20443.6529 14391.2465 232.0199 -203385.2389 2703.1181 0.0000 0.0000 51824.9403 -109789.1393 297.8386 -161614.0796 -109434.4362 298.3402 -12.3357 13.4530 760992.6016 -2.9584 -2.9387 PRESSURE: 2783400 188.972 184.529 159.48 184.529 -235.076 163.734 159.48 163.734 160.306 GPRESSURE: 2783400 212.646 247.023 180.93 134.022 -225.221 138.638 157.887 147.382 193.192 PRESSAVG: 2783400 -4.09713 -23.4505 15.0459 -23.4505 -5.04329 -1.57166 15.0459 -1.57165 -11.3351 GPRESSAVG: 2783400 -3.83247 -22.3432 16.5979 -23.8363 -5.71092 -1.86361 14.1418 -3.85241 -11.1472 TIMING: 2783400 CPU: 8693.11, 0.00311314/step Wall: 8693.11, 0.00311314/step, 1.91683 hours remaining, 233.742188 MB of memory in use. ENERGY: 2783400 3927.2238 20401.8249 14443.7882 279.4673 -203120.2057 2520.1092 0.0000 0.0000 52085.4377 -109462.3546 299.3357 -161547.7923 -109102.2137 298.4524 38.0671 60.2059 762173.9466 -6.8252 -6.8969 PRESSURE: 2783600 3.60925 153.803 -128.054 153.803 93.894 -230.745 -128.054 -230.745 -111.972 GPRESSURE: 2783600 9.99518 47.2828 -158.938 160.739 87.2859 -204.41 -82.1859 -181.307 -3.41986 PRESSAVG: 2783600 42.1485 40.3807 -6.97479 40.3808 19.4536 -48.9504 -6.9748 -48.9504 19.6552 GPRESSAVG: 2783600 41.5558 37.9353 -8.89037 40.59 19.2091 -47.4104 -4.73354 -47.5381 20.1856 TIMING: 2783600 CPU: 8693.74, 0.00313112/step Wall: 8693.74, 0.00313112/step, 1.92773 hours remaining, 233.742188 MB of memory in use. ENERGY: 2783600 3870.0229 20467.9279 14437.0431 256.6088 -203324.6517 2745.4935 0.0000 0.0000 51857.7983 -109689.7572 298.0275 -161547.5554 -109336.2194 298.2975 -4.8228 31.2871 762966.1624 27.0858 26.9835 PRESSURE: 2783800 -98.0711 -125.073 92.0559 -125.074 102.502 153.864 92.0557 153.864 117.21 GPRESSURE: 2783800 -26.6088 -146.209 86.9771 25.3595 119.682 112.216 -56.8103 25.9958 120.54 PRESSAVG: 2783800 -34.0015 -26.6802 11.8303 -26.6802 68.5771 -28.3277 11.8303 -28.3277 7.21959 GPRESSAVG: 2783800 -34.8149 -25.7571 13.2405 -27.6257 70.5445 -29.5176 8.8304 -28.9508 6.29838 TIMING: 2783800 CPU: 8694.37, 0.00312192/step Wall: 8694.37, 0.00312192/step, 1.92189 hours remaining, 233.742188 MB of memory in use. ENERGY: 2783800 3996.2436 20536.9563 14434.2031 264.6728 -203186.2334 2506.9347 0.0000 0.0000 51984.8383 -109462.3846 298.7576 -161447.2229 -109099.4237 298.9449 40.5469 71.2045 761107.3508 13.9317 14.0093 PRESSURE: 2784000 -144.065 244.059 -10.5492 244.06 -33.5399 -120.172 -10.5488 -120.171 9.78756 GPRESSURE: 2784000 -157.029 179.828 -6.15345 78.9669 88.0894 -89.9307 109.737 -146.582 -0.306948 PRESSAVG: 2784000 7.26871 -48.8129 -27.4612 -48.8128 -3.56224 30.8102 -27.4611 30.8102 -5.2424 GPRESSAVG: 2784000 8.03379 -47.711 -28.0069 -48.3014 -4.0693 31.7931 -25.899 30.2466 -5.55137 TIMING: 2784000 CPU: 8694.99, 0.00313123/step Wall: 8694.99, 0.00313123/step, 1.92745 hours remaining, 233.742188 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: 2784000 4039.4542 20500.9444 14405.3302 247.8067 -203247.0333 2609.0783 0.0000 0.0000 51960.6155 -109483.8040 298.6184 -161444.4195 -109133.8299 299.2078 -55.9391 -23.0821 760534.6852 -0.5120 -0.5290 PRESSURE: 2784200 474.869 89.1173 64.9412 89.1173 -94.454 -1.09594 64.9411 -1.09528 266.674 GPRESSURE: 2784200 361.284 167.095 190.02 65.0469 -10.9585 -107.446 34.6934 -43.4492 375.898 PRESSAVG: 2784200 15.8102 -38.075 15.1363 -38.0751 2.12383 -28.2619 15.1363 -28.2619 23.0144 GPRESSAVG: 2784200 15.8662 -39.5463 13.95 -39.6168 1.52975 -27.5963 14.6452 -27.8478 23.5014 TIMING: 2784200 CPU: 8695.61, 0.00310276/step Wall: 8695.61, 0.00310276/step, 1.90975 hours remaining, 233.742188 MB of memory in use. ENERGY: 2784200 3893.1961 20347.7546 14385.4930 227.0439 -203434.1659 2907.8069 0.0000 0.0000 52167.2184 -109505.6530 299.8057 -161672.8714 -109140.9662 298.9890 215.6963 242.0744 762415.2812 13.6495 13.6325 LDB: ============= START OF LOAD BALANCING ============== 8708.09 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8708.09 LDB: =============== DONE WITH MIGRATION ================ 8708.09 LDB: ============= START OF LOAD BALANCING ============== 8708.41 LDB: Largest compute 7070 load 0.030276 is 15.5% of average load 0.195304 LDB: Average compute 0.004376 is 2.2% of average load 0.195304 LDB: TIME 8708.41 LOAD: AVG 0.195304 MAX 0.217528 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.445 MB LDB: TIME 8708.41 LOAD: AVG 0.195304 MAX 0.217528 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.445 MB LDB: TIME 8708.41 LOAD: AVG 0.195304 MAX 0.217528 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.445 MB LDB: ============== END OF LOAD BALANCING =============== 8708.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8708.42 PRESSURE: 2784400 500.847 -48.5279 24.5038 -48.5282 200.2 114.749 24.5033 114.748 508.135 GPRESSURE: 2784400 583.789 -11.9986 -22.5892 -125.988 234.494 42.1214 -8.26523 41.5143 470.065 PRESSAVG: 2784400 -15.9501 -52.301 43.5627 -52.301 7.35703 49.1663 43.5628 49.1663 9.56253 GPRESSAVG: 2784400 -16.231 -50.1069 45.3823 -51.4027 7.82639 47.6582 40.6335 48.1146 9.6533 TIMING: 2784400 CPU: 8696.25, 0.00320303/step Wall: 8696.25, 0.00320303/step, 1.97129 hours remaining, 235.792969 MB of memory in use. ENERGY: 2784400 3968.4534 20508.8765 14380.7421 251.7454 -203575.9775 3153.6697 0.0000 0.0000 51859.0711 -109453.4192 298.0348 -161312.4903 -109102.1910 298.8860 403.0605 429.4493 760465.5805 0.3231 0.4162 PRESSURE: 2784600 167.134 9.37082 -34.5793 9.37118 233.803 -37.4011 -34.5796 -37.4009 -20.234 GPRESSURE: 2784600 216.205 -2.64501 -28.6445 20.681 198.564 28.0723 23.44 13.9414 44.3676 PRESSAVG: 2784600 32.8983 -58.5216 -70.3015 -58.5216 47.2123 -9.19244 -70.3015 -9.19253 22.5606 GPRESSAVG: 2784600 32.7503 -61.014 -70.71 -57.8985 47.0951 -8.80553 -66.5657 -6.22314 22.6437 TIMING: 2784600 CPU: 8696.88, 0.00311854/step Wall: 8696.88, 0.00311854/step, 1.91911 hours remaining, 235.996094 MB of memory in use. ENERGY: 2784600 3910.1838 20457.3677 14440.5351 236.7545 -203927.1621 3067.9448 0.0000 0.0000 52164.7835 -109649.5926 299.7917 -161814.3761 -109292.8394 299.3154 126.9009 153.0454 761989.5583 34.2237 34.1630 PRESSURE: 2784800 127.379 -150.522 -67.004 -150.522 378.681 -105.149 -67.0036 -105.149 283.205 GPRESSURE: 2784800 143.17 -119.573 -94.8156 -178.44 401.651 -222.719 -169.632 -203.02 321.616 PRESSAVG: 2784800 -28.315 -73.5978 -25.7389 -73.5978 38.4086 -29.9353 -25.7389 -29.9353 5.4282 GPRESSAVG: 2784800 -28.1824 -71.9141 -25.9569 -72.9549 38.5416 -29.5358 -25.6765 -32.1016 5.35426 TIMING: 2784800 CPU: 8697.5, 0.00312341/step Wall: 8697.5, 0.00312341/step, 1.92194 hours remaining, 235.996094 MB of memory in use. ENERGY: 2784800 3928.6684 20449.8445 14339.4184 224.8478 -203572.0902 2995.1005 0.0000 0.0000 51792.7089 -109841.5018 297.6534 -161634.2106 -109479.4655 298.6603 263.0880 288.8123 760990.9455 5.1739 5.2378 PRESSURE: 2785000 1.43799 -289.249 -71.2406 -289.249 -102.641 -255.7 -71.2408 -255.701 -53.4774 GPRESSURE: 2785000 -83.8014 -374.45 18.708 -226.54 60.6859 -265.89 -189.63 -296.398 -15.2852 PRESSAVG: 2785000 -33.5472 -16.5856 -17.8933 -16.5856 37.8582 3.35856 -17.8932 3.35855 16.7934 GPRESSAVG: 2785000 -33.4293 -19.6732 -17.3878 -14.5004 38.0835 3.27688 -17.7894 3.1602 16.7469 TIMING: 2785000 CPU: 8698.13, 0.00312214/step Wall: 8698.13, 0.00312214/step, 1.92098 hours remaining, 235.996094 MB of memory in use. ENERGY: 2785000 4007.8179 20437.5931 14366.8658 242.5629 -203602.7034 2895.7871 0.0000 0.0000 51726.9245 -109925.1522 297.2753 -161652.0766 -109564.4666 297.8848 -51.5601 -12.8002 761455.3701 7.0348 7.1337 PRESSURE: 2785200 -79.0147 145.713 120.215 145.714 93.029 57.3862 120.215 57.3872 -108.115 GPRESSURE: 2785200 -8.98888 258.495 73.3974 163.835 76.0051 71.083 72.4011 -13.3273 -56.1584 PRESSAVG: 2785200 67.4874 -6.07427 -5.56223 -6.07426 -26.5871 39.2688 -5.56214 39.2688 9.627 GPRESSAVG: 2785200 67.7521 -2.692 -6.64287 -9.47774 -25.6302 39.1789 -6.82987 39.0391 8.37139 TIMING: 2785200 CPU: 8698.75, 0.00313901/step Wall: 8698.75, 0.00313901/step, 1.93119 hours remaining, 235.996094 MB of memory in use. ENERGY: 2785200 4020.4668 20292.0661 14460.0994 264.6011 -203208.4624 2631.8357 0.0000 0.0000 51709.9613 -109829.4319 297.1779 -161539.3932 -109466.7444 298.0268 -31.3667 3.6193 762095.2753 16.8425 16.8311 PRESSURE: 2785400 -157.647 229.478 -111.629 229.479 -299.415 58.3809 -111.629 58.3811 -525.413 GPRESSURE: 2785400 -158.052 193.996 -104.057 276.338 -275.786 90.2575 -6.17996 2.69234 -483.01 PRESSAVG: 2785400 -31.6142 -27.822 -3.03489 -27.8221 27.9026 -21.9788 -3.03485 -21.9788 -3.89929 GPRESSAVG: 2785400 -30.4085 -29.3399 -1.09917 -26.8682 26.7454 -21.8756 -1.15589 -21.1978 -4.03529 TIMING: 2785400 CPU: 8699.38, 0.00312689/step Wall: 8699.38, 0.00312689/step, 1.92356 hours remaining, 235.996094 MB of memory in use. ENERGY: 2785400 4064.5082 20600.2598 14444.2285 251.0201 -203566.6419 2699.5287 0.0000 0.0000 51766.1423 -109740.9542 297.5007 -161507.0965 -109386.0955 298.8142 -327.4917 -305.6160 762609.3744 -2.5370 -2.5661 PRESSURE: 2785600 185.738 101.432 -170.52 101.431 239.116 -86.9592 -170.52 -86.9592 -28.3236 GPRESSURE: 2785600 172.85 88.3698 -172.146 -3.94015 255.183 -23.1833 -148.495 5.06552 56.9856 PRESSAVG: 2785600 36.4825 -16.8001 -41.6931 -16.8001 -13.7943 13.4733 -41.6931 13.4733 -10.7002 GPRESSAVG: 2785600 35.6658 -15.7377 -40.495 -17.2867 -14.6877 14.3594 -41.7948 13.895 -9.11405 TIMING: 2785600 CPU: 8700.01, 0.00313773/step Wall: 8700.01, 0.00313773/step, 1.93005 hours remaining, 235.996094 MB of memory in use. ENERGY: 2785600 4019.2295 20493.8142 14412.2677 239.3412 -203579.9188 2879.3696 0.0000 0.0000 52027.7175 -109508.1791 299.0040 -161535.8966 -109158.2132 298.3800 132.1769 161.6728 762662.5670 3.9960 3.9547 PRESSURE: 2785800 -41.2942 40.0445 324.425 40.0448 80.4326 97.0475 324.425 97.0483 -88.1867 GPRESSURE: 2785800 -34.9311 189.98 373.844 25.0973 116.464 68.877 9.47458 137.278 -38.81 PRESSAVG: 2785800 53.4099 -26.6692 -22.412 -26.6692 -37.065 -18.9544 -22.412 -18.9542 1.20257 GPRESSAVG: 2785800 51.4708 -26.7518 -25.5015 -27.1196 -35.2287 -20.1704 -22.724 -19.4785 1.15876 TIMING: 2785800 CPU: 8700.63, 0.00312221/step Wall: 8700.63, 0.00312221/step, 1.92033 hours remaining, 235.996094 MB of memory in use. ENERGY: 2785800 3944.6520 20417.3164 14400.1680 232.7533 -203410.3426 2888.3705 0.0000 0.0000 51849.2798 -109677.8026 297.9785 -161527.0824 -109320.3514 298.8072 -16.3494 14.2409 763400.5339 5.8492 5.8003 PRESSURE: 2786000 -456.247 44.8964 -13.8202 44.8958 -184.438 165.332 -13.8208 165.332 -84.4186 GPRESSURE: 2786000 -377.987 37.6966 11.8141 153.457 -150.122 178.821 13.3649 191.924 -115.217 PRESSAVG: 2786000 -2.01841 25.0941 -6.10272 25.0941 23.4046 -6.46718 -6.1027 -6.46723 -4.51066 GPRESSAVG: 2786000 0.881443 22.7867 -5.0226 27.5427 21.4371 -4.61887 -7.69666 -7.26641 -4.51937 TIMING: 2786000 CPU: 8701.26, 0.00312666/step Wall: 8701.26, 0.00312666/step, 1.92289 hours remaining, 235.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2786000 3991.2482 20474.5100 14445.3386 230.9484 -202859.9664 2262.3377 0.0000 0.0000 51854.4082 -109601.1752 298.0080 -161455.5834 -109231.2331 298.3750 -241.7014 -214.4422 763923.7753 5.6252 5.9331 PRESSURE: 2786200 -522.905 123.071 -37.8348 123.071 -226.985 32.6672 -37.8348 32.6675 -58.1626 GPRESSURE: 2786200 -432.241 74.5261 -0.430947 121.829 -258.635 -24.6762 -26.0847 114.038 -19.8477 PRESSAVG: 2786200 32.3028 -44.1331 -15.3363 -44.133 -26.4664 -47.1311 -15.3362 -47.1311 7.73672 GPRESSAVG: 2786200 32.0926 -43.6646 -15.2861 -42.6509 -26.2589 -49.4497 -13.0018 -45.8443 7.4146 TIMING: 2786200 CPU: 8701.88, 0.00310803/step Wall: 8701.88, 0.00310803/step, 1.91127 hours remaining, 235.996094 MB of memory in use. ENERGY: 2786200 4007.4845 20549.3766 14435.2337 251.0819 -203452.1007 2630.0020 0.0000 0.0000 51831.7743 -109747.1477 297.8779 -161578.9220 -109398.3674 298.4326 -269.3509 -236.9079 762711.0639 4.5244 4.4161 PRESSURE: 2786400 143.741 -122.156 157.641 -122.156 -175.891 66.8986 157.64 66.8997 140.119 GPRESSURE: 2786400 150.288 -230.046 139.286 -185.774 -116.901 -10.9248 43.2144 -135.005 175.921 PRESSAVG: 2786400 -4.58194 -42.1853 42.6145 -42.1852 -40.9498 -43.8365 42.6145 -43.8365 6.93556 GPRESSAVG: 2786400 -5.90376 -43.4858 42.329 -45.3142 -40.6378 -45.6012 40.0838 -45.7088 8.47304 TIMING: 2786400 CPU: 8702.5, 0.00310236/step Wall: 8702.5, 0.00310236/step, 1.90761 hours remaining, 235.996094 MB of memory in use. ENERGY: 2786400 3903.5661 20489.6877 14387.1464 226.8335 -203425.4211 2943.5109 0.0000 0.0000 51980.7504 -109493.9261 298.7341 -161474.6764 -109131.4160 298.3663 35.9898 69.7693 763740.7470 -12.8654 -12.6895 PRESSURE: 2786600 13.5885 -90.0192 -97.3148 -90.019 -37.7649 28.1392 -97.3144 28.1379 -141.539 GPRESSURE: 2786600 114.739 -121.311 -134.026 -134.862 -59.0826 50.3314 -80.0104 -13.7817 -155.426 PRESSAVG: 2786600 54.0614 -35.9409 -7.10387 -35.9409 -71.6178 -23.8427 -7.10381 -23.8428 -3.8901 GPRESSAVG: 2786600 55.606 -35.8195 -6.76206 -34.7314 -71.5474 -21.4604 -6.94413 -22.0253 -5.70367 TIMING: 2786600 CPU: 8703.12, 0.00310248/step Wall: 8703.12, 0.00310248/step, 1.90751 hours remaining, 235.996094 MB of memory in use. ENERGY: 2786600 4000.9908 20450.9667 14426.5106 228.0340 -203623.8819 2775.3418 0.0000 0.0000 52060.9883 -109681.0496 299.1952 -161742.0379 -109314.4878 298.3689 -55.2384 -33.2565 763297.7804 -7.1488 -7.2150 PRESSURE: 2786800 -126.476 205.039 -42.4622 205.039 47.1817 -41.6109 -42.4624 -41.6097 -41.3093 GPRESSURE: 2786800 -75.042 145.722 -113.151 117.701 148.524 23.2833 -86.6783 -52.6044 -110.382 PRESSAVG: 2786800 4.80135 -3.95934 -34.793 -3.95937 18.1064 -21.5185 -34.7931 -21.5185 1.92752 GPRESSAVG: 2786800 3.43816 -4.55877 -36.1814 -4.62725 18.1602 -22.3838 -33.75 -21.8663 3.18499 TIMING: 2786800 CPU: 8703.74, 0.0030958/step Wall: 8703.74, 0.0030958/step, 1.90323 hours remaining, 235.996094 MB of memory in use. ENERGY: 2786800 3887.0507 20383.2149 14386.7363 231.8816 -203613.2004 2712.2077 0.0000 0.0000 52220.9721 -109791.1372 300.1146 -162012.1093 -109427.7027 298.1312 -40.2012 -12.3002 762996.3159 8.2784 8.2611 PRESSURE: 2787000 61.5141 -118.17 24.5749 -118.169 398.011 272.795 24.575 272.795 109.252 GPRESSURE: 2787000 73.4444 -188.051 71.3876 -130.739 438.344 164.87 6.30413 248.093 151.744 PRESSAVG: 2787000 23.282 -17.3879 -21.1539 -17.3879 -49.4111 14.0304 -21.1538 14.0303 8.89162 GPRESSAVG: 2787000 24.3554 -16.5134 -20.7982 -17.2341 -49.3498 16.021 -20.8967 12.8654 7.92758 TIMING: 2787000 CPU: 8704.36, 0.00312003/step Wall: 8704.36, 0.00312003/step, 1.91795 hours remaining, 235.996094 MB of memory in use. ENERGY: 2787000 3912.5298 20520.9772 14422.7199 233.7702 -203785.9032 3166.3064 0.0000 0.0000 51911.3247 -109618.2749 298.3351 -161529.5997 -109258.0590 298.5938 189.5924 221.1774 762783.0810 -5.7458 -5.6889 PRESSURE: 2787200 95.7002 -152.258 -224.637 -152.258 -0.0919862 -180.759 -224.637 -180.758 112.478 GPRESSURE: 2787200 178.873 -39.2362 -288.14 -178.116 18.9616 -224.366 -203.535 -175.86 107.252 PRESSAVG: 2787200 -3.54986 -53.1011 46.5809 -53.1012 -44.727 35.0334 46.581 35.0335 -1.47233 GPRESSAVG: 2787200 -3.38575 -52.0982 45.1975 -52.9314 -45.8414 32.7057 48.2112 32.7556 -0.506147 TIMING: 2787200 CPU: 8704.99, 0.00312198/step Wall: 8704.99, 0.00312198/step, 1.91898 hours remaining, 235.996094 MB of memory in use. ENERGY: 2787200 3972.2409 20393.5973 14425.0505 267.7124 -203386.7374 2798.6467 0.0000 0.0000 52031.9233 -109497.5662 299.0282 -161529.4895 -109129.7240 298.7779 69.3619 101.6957 763128.0178 -16.5831 -16.5778 PRESSURE: 2787400 -24.9084 37.2301 41.2044 37.2301 -226.556 176.965 41.2034 176.965 -100.335 GPRESSURE: 2787400 14.764 -10.965 24.6436 8.7 -145.013 185.018 31.8695 161.899 -141.155 PRESSAVG: 2787400 35.6361 -83.6031 24.3398 -83.6031 -46.8085 -38.6783 24.3399 -38.6783 21.3412 GPRESSAVG: 2787400 35.9396 -83.2487 25.3125 -84.4582 -47.3483 -38.9458 22.3299 -35.4778 21.596 TIMING: 2787400 CPU: 8705.61, 0.00312444/step Wall: 8705.61, 0.00312444/step, 1.92031 hours remaining, 235.996094 MB of memory in use. ENERGY: 2787400 4031.7898 20334.9670 14378.5084 258.3979 -203767.0955 2965.8277 0.0000 0.0000 52191.2736 -109606.3311 299.9440 -161797.6047 -109239.5605 298.7790 -117.2665 -90.4680 763741.8248 3.3896 3.3957 PRESSURE: 2787600 -296.387 -96.8539 84.3738 -96.8532 -143.929 44.0966 84.3737 44.096 311.398 GPRESSURE: 2787600 -239.613 -72.8018 114.031 -158.873 -70.2733 77.1643 173.066 137.046 269.616 PRESSAVG: 2787600 41.4837 -13.6717 -5.62926 -13.6717 -34.5228 16.7724 -5.62921 16.7724 -5.51337 GPRESSAVG: 2787600 40.501 -13.9705 -5.84153 -12.7503 -33.0321 18.7423 -3.79805 17.318 -6.18618 TIMING: 2787600 CPU: 8706.24, 0.00313881/step Wall: 8706.24, 0.00313881/step, 1.92898 hours remaining, 235.996094 MB of memory in use. ENERGY: 2787600 3967.4267 20324.2550 14469.6172 250.9654 -203161.7553 2602.1626 0.0000 0.0000 51660.3884 -109886.9400 296.8930 -161547.3284 -109525.1708 298.3357 -42.9726 -13.4235 765249.9539 0.4825 0.4276 PRESSURE: 2787800 85.9487 10.3001 -122.726 10.3005 -22.4291 215.194 -122.726 215.193 148.13 GPRESSURE: 2787800 208.975 79.665 -179.782 14.8999 -49.0027 192.998 -19.9135 223.919 147.15 PRESSAVG: 2787800 46.4673 -62.9989 4.53657 -62.9988 -94.233 -16.8067 4.53661 -16.8067 32.7819 GPRESSAVG: 2787800 46.4692 -61.2567 4.64762 -63.1021 -94.4511 -19.1024 4.03055 -17.7886 31.9992 TIMING: 2787800 CPU: 8706.86, 0.00313145/step Wall: 8706.86, 0.00313145/step, 1.92427 hours remaining, 235.996094 MB of memory in use. ENERGY: 2787800 3953.5610 20387.7594 14422.9437 245.9567 -203627.8987 2928.1791 0.0000 0.0000 51846.7425 -109842.7562 297.9639 -161689.4987 -109477.8875 298.1086 70.5499 102.3742 761475.0784 -4.9946 -5.3275 PRESSURE: 2788000 143.886 47.7188 124.719 47.7188 -84.3754 76.4423 124.72 76.4424 -69.7174 GPRESSURE: 2788000 95.5299 51.2388 171.587 53.1829 -13.6189 147.001 34.6668 -15.821 -6.05468 PRESSAVG: 2788000 73.162 -57.2915 -39.3882 -57.2916 -36.2668 88.8122 -39.3882 88.8123 -10.7108 GPRESSAVG: 2788000 72.4444 -59.0832 -38.897 -55.7509 -36.4066 91.2307 -40.1125 87.7796 -10.2098 TIMING: 2788000 CPU: 8707.49, 0.00311201/step Wall: 8707.49, 0.00311201/step, 1.91216 hours remaining, 235.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2788000 3993.3131 20379.9782 14331.4059 280.1166 -203898.7515 3042.0748 0.0000 0.0000 51995.9933 -109875.8696 298.8217 -161871.8629 -109519.9351 297.7640 -3.4021 25.2855 761974.9617 8.7281 8.6094 PRESSURE: 2788200 368.798 179.114 63.0973 179.114 178.989 175.906 63.0976 175.906 320.881 GPRESSURE: 2788200 427.259 193.949 -24.9023 236.495 217.056 102.061 18.8137 188.717 301.039 PRESSAVG: 2788200 26.9924 -40.5892 -20.7486 -40.5891 -14.2966 -18.6853 -20.7487 -18.6853 2.67434 GPRESSAVG: 2788200 27.1126 -38.9032 -21.0636 -44.083 -14.8313 -19.967 -21.0527 -18.8556 2.83179 TIMING: 2788200 CPU: 8708.11, 0.00310492/step Wall: 8708.11, 0.00310492/step, 1.90763 hours remaining, 235.996094 MB of memory in use. ENERGY: 2788200 3941.6597 20387.4201 14376.7640 253.2853 -203548.7708 2910.2826 0.0000 0.0000 51615.9898 -110063.3692 296.6378 -161679.3590 -109701.3606 297.5650 289.5558 315.1181 762232.1033 5.1234 5.0377 LDB: ============= START OF LOAD BALANCING ============== 8720.58 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8720.58 LDB: =============== DONE WITH MIGRATION ================ 8720.59 LDB: ============= START OF LOAD BALANCING ============== 8720.9 LDB: Largest compute 7051 load 0.030494 is 15.6% of average load 0.195132 LDB: Average compute 0.004384 is 2.2% of average load 0.195132 LDB: TIME 8720.9 LOAD: AVG 0.195132 MAX 0.21568 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.676 MB LDB: TIME 8720.9 LOAD: AVG 0.195132 MAX 0.21568 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.676 MB LDB: TIME 8720.9 LOAD: AVG 0.195132 MAX 0.21568 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.676 MB LDB: ============== END OF LOAD BALANCING =============== 8720.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8720.91 PRESSURE: 2788400 143.098 -88.6442 -145.443 -88.6453 35.5009 -46.6359 -145.443 -46.636 550.41 GPRESSURE: 2788400 236.44 -175.385 -114.18 -137.983 22.3072 18.5943 -43.1532 -101.483 545.212 PRESSAVG: 2788400 31.6243 -71.0786 0.533496 -71.0786 -68.2907 10.2729 0.533448 10.2729 1.6947 GPRESSAVG: 2788400 31.0211 -71.0138 1.531 -70.4375 -67.5928 10.3432 0.140341 12.3667 1.49345 TIMING: 2788400 CPU: 8708.74, 0.00316733/step Wall: 8708.74, 0.00316733/step, 1.94579 hours remaining, 235.218750 MB of memory in use. ENERGY: 2788400 3960.3534 20389.3529 14420.7283 228.4295 -204103.6443 3194.7166 0.0000 0.0000 51866.3026 -110043.7611 298.0764 -161910.0637 -109686.7084 297.4193 243.0030 267.9864 761117.8728 -11.6572 -11.6927 PRESSURE: 2788600 62.3001 -46.0575 11.0616 -46.0583 41.2844 -68.3115 11.0621 -68.3111 -168.381 GPRESSURE: 2788600 138.528 -116.324 12.8905 -88.5131 57.8519 -26.7084 64.8155 -84.0439 -181.499 PRESSAVG: 2788600 13.0272 -14.1835 18.7648 -14.1834 -17.0644 72.0394 18.7648 72.0394 9.02324 GPRESSAVG: 2788600 14.4235 -15.6263 19.6921 -11.5233 -17.6955 71.7531 19.1533 72.6772 8.73018 TIMING: 2788600 CPU: 8709.36, 0.00310999/step Wall: 8709.36, 0.00310999/step, 1.9104 hours remaining, 235.218750 MB of memory in use. ENERGY: 2788600 3948.4425 20526.8320 14413.3751 231.6239 -203174.1894 2404.1169 0.0000 0.0000 51677.5444 -109972.2547 296.9916 -161649.7991 -109606.3487 297.6465 -21.5987 4.9605 760690.9198 1.6620 1.8194 PRESSURE: 2788800 -208.613 -12.0644 285.156 -12.0638 -137.451 381.714 285.156 381.713 -207.831 GPRESSURE: 2788800 -119.517 -81.5415 255.789 5.94864 -128.918 216.163 195.17 386.433 -230.609 PRESSAVG: 2788800 19.452 -4.00157 83.8582 -4.00159 4.14413 37.1786 83.8582 37.1787 -5.44942 GPRESSAVG: 2788800 18.8549 -4.29173 82.4966 -4.17198 4.08724 36.9119 83.8877 38.4073 -5.17957 TIMING: 2788800 CPU: 8709.99, 0.00311055/step Wall: 8709.99, 0.00311055/step, 1.91057 hours remaining, 235.218750 MB of memory in use. ENERGY: 2788800 4070.4662 20596.6157 14453.5875 244.7333 -203464.7608 2657.0382 0.0000 0.0000 51824.2430 -109618.0769 297.8346 -161442.3200 -109271.6242 298.0490 -184.6315 -159.6812 761874.9551 6.0489 5.9209 PRESSURE: 2789000 260.792 -28.6087 79.09 -28.6088 175.732 -75.1903 79.0908 -75.1914 273.126 GPRESSURE: 2789000 297.099 19.5568 57.6941 -119.812 238.655 -15.1549 79.4428 -123.575 273.026 PRESSAVG: 2789000 -43.1824 -34.2159 -9.33249 -34.2159 2.17866 23.6196 -9.33245 23.6196 9.23732 GPRESSAVG: 2789000 -44.2709 -33.5681 -9.08838 -34.9958 1.63664 26.5523 -9.95957 19.8847 10.2631 TIMING: 2789000 CPU: 8710.61, 0.00309729/step Wall: 8710.61, 0.00309729/step, 1.90225 hours remaining, 235.218750 MB of memory in use. ENERGY: 2789000 3956.7152 20478.8752 14465.8863 253.7806 -203527.9518 2711.9552 0.0000 0.0000 51953.0720 -109707.6673 298.5750 -161660.7393 -109349.6601 298.3779 236.5501 269.5933 761650.3920 -10.5888 -10.7904 PRESSURE: 2789200 -113.645 -177.665 48.0993 -177.665 -135.658 119.888 48.0986 119.889 -102.405 GPRESSURE: 2789200 -9.06635 -113.961 69.0032 -116.714 -140.274 38.1577 95.202 107.225 -118.366 PRESSAVG: 2789200 -16.3393 -41.3298 -31.9608 -41.3298 13.1719 16.9306 -31.9608 16.9307 0.107576 GPRESSAVG: 2789200 -17.0369 -41.877 -31.2853 -39.9374 15.4463 15.5905 -30.424 19.481 -1.27348 TIMING: 2789200 CPU: 8711.23, 0.0031123/step Wall: 8711.23, 0.0031123/step, 1.9113 hours remaining, 235.218750 MB of memory in use. ENERGY: 2789200 3970.6498 20444.7180 14401.5975 239.9612 -203365.8214 2689.6565 0.0000 0.0000 51743.5582 -109875.6802 297.3709 -161619.2384 -109518.1638 298.3090 -117.2360 -89.2352 760260.6094 -1.0199 -0.9547 PRESSURE: 2789400 -0.216206 -63.237 178.402 -63.2369 224.198 24.496 178.402 24.4965 -101.179 GPRESSURE: 2789400 96.3276 23.314 132.222 -155.084 178.419 -57.8245 287.956 -5.51169 -54.0176 PRESSAVG: 2789400 1.29176 -32.183 0.208679 -32.1831 17.512 25.34 0.208732 25.34 6.27085 GPRESSAVG: 2789400 1.88959 -33.4297 -0.979575 -34.5677 16.1671 24.0517 -0.564864 25.6044 7.38504 TIMING: 2789400 CPU: 8711.85, 0.0030965/step Wall: 8711.85, 0.0030965/step, 1.90142 hours remaining, 235.218750 MB of memory in use. ENERGY: 2789400 4062.4300 20380.1255 14426.2165 239.8658 -203576.5816 3048.5605 0.0000 0.0000 51894.2041 -109525.1791 298.2367 -161419.3833 -109175.6568 298.2163 40.9340 73.5763 763420.4946 8.3582 8.4806 PRESSURE: 2789600 -205.786 -61.3743 118.382 -61.3739 107.198 -53.2503 118.382 -53.2497 232.982 GPRESSURE: 2789600 -127.696 -45.011 121.121 -40.0822 87.4426 -141.488 79.8349 2.33825 252.752 PRESSAVG: 2789600 -60.1602 -32.8356 -7.33779 -32.8356 39.7151 -2.27477 -7.33777 -2.27481 -1.20861 GPRESSAVG: 2789600 -60.3644 -32.5508 -6.81258 -32.0811 39.8482 -0.998173 -6.24466 -5.48771 -1.63229 TIMING: 2789600 CPU: 8712.47, 0.00312935/step Wall: 8712.47, 0.00312935/step, 1.92142 hours remaining, 235.218750 MB of memory in use. ENERGY: 2789600 3878.9236 20392.1831 14336.1847 244.3518 -203245.4354 2823.4669 0.0000 0.0000 51901.4845 -109668.8408 298.2785 -161570.3253 -109313.1351 298.5804 44.7980 70.8331 761925.8417 -7.2179 -7.3828 PRESSURE: 2789800 112.045 -135.709 41.387 -135.709 62.9778 -20.2009 41.3864 -20.2004 20.7052 GPRESSURE: 2789800 117.78 41.6939 113.673 -93.9469 60.7839 -28.127 -61.2879 29.525 85.9854 PRESSAVG: 2789800 5.64401 -18.6281 -13.3184 -18.6281 2.4971 39.0668 -13.3184 39.0668 -1.53258 GPRESSAVG: 2789800 5.87759 -14.044 -13.4938 -21.8695 2.53458 38.8985 -16.0508 38.8508 -1.92944 TIMING: 2789800 CPU: 8713.1, 0.00312584/step Wall: 8713.1, 0.00312584/step, 1.91909 hours remaining, 235.218750 MB of memory in use. ENERGY: 2789800 3997.7574 20240.8055 14406.0211 261.4047 -203491.1088 2886.7313 0.0000 0.0000 52155.4101 -109542.9788 299.7379 -161698.3888 -109172.2888 298.3383 65.2426 88.1832 760812.5031 2.2028 2.1609 PRESSURE: 2790000 25.4134 -125.729 86.9652 -125.729 -17.6207 -65.6754 86.9654 -65.6742 -12.9883 GPRESSURE: 2790000 -36.0599 -57.2468 96.6664 -98.2828 42.8603 -27.2763 35.7786 -11.6238 54.5366 PRESSAVG: 2790000 8.8594 -21.8273 -1.66545 -21.8273 28.3225 -65.3856 -1.66548 -65.3855 7.52039 GPRESSAVG: 2790000 9.32922 -25.9059 -0.944335 -18.2286 28.2683 -64.4408 2.10967 -63.6941 7.25567 TIMING: 2790000 CPU: 8713.72, 0.00310948/step Wall: 8713.72, 0.00310948/step, 1.90887 hours remaining, 235.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2790000 3955.4143 20460.8891 14457.0873 233.8823 -203430.8079 2715.7608 0.0000 0.0000 52041.1723 -109566.6019 299.0813 -161607.7741 -109211.3503 298.6184 -1.7319 20.4457 761370.6276 14.9008 14.9511 PRESSURE: 2790200 -329.553 81.2479 -130.677 81.2483 -172.377 -92.8112 -130.677 -92.8106 160.832 GPRESSURE: 2790200 -269.145 50.7301 -185.532 170.994 -155.079 -70.3375 -70.2962 -63.3478 163.351 PRESSAVG: 2790200 -53.4087 -5.04431 -38.783 -5.04428 27.4759 26.9908 -38.783 26.9908 -20.4828 GPRESSAVG: 2790200 -54.1237 -4.55889 -39.6436 -3.87673 27.9903 24.5937 -40.6049 26.4737 -20.1312 TIMING: 2790200 CPU: 8714.35, 0.00312649/step Wall: 8714.35, 0.00312649/step, 1.91915 hours remaining, 235.218750 MB of memory in use. ENERGY: 2790200 4037.4011 20416.3625 14486.1386 244.7630 -203003.0505 2317.4776 0.0000 0.0000 52009.5952 -109491.3126 298.8999 -161500.9078 -109121.1557 298.8060 -113.6995 -86.9579 762431.3379 -15.4719 -15.4215 PRESSURE: 2790400 3.73791 -180.811 -123.455 -180.811 444.813 85.8135 -123.455 85.8141 234.114 GPRESSURE: 2790400 64.1736 -68.4825 -114.29 -301.615 433.819 62.6113 -146.951 70.016 273.974 PRESSAVG: 2790400 16.5079 -4.06037 -16.898 -4.06042 11.6194 15.8544 -16.898 15.8544 22.9099 GPRESSAVG: 2790400 18.1982 -4.32436 -17.078 -6.00732 11.6967 18.4586 -18.5097 14.5864 21.2085 TIMING: 2790400 CPU: 8714.97, 0.0031262/step Wall: 8714.97, 0.0031262/step, 1.91879 hours remaining, 235.218750 MB of memory in use. ENERGY: 2790400 3908.2245 20540.3653 14410.0841 242.6431 -203651.2632 2740.0797 0.0000 0.0000 52197.7614 -109612.1051 299.9813 -161809.8666 -109251.0680 298.6114 227.5548 257.3222 760558.4337 17.0124 17.0344 PRESSURE: 2790600 -300.881 -253.755 251.583 -253.757 -89.7687 -66.117 251.582 -66.1166 -306.47 GPRESSURE: 2790600 -271.21 -277.021 256.704 -220.075 -99.2843 -153.222 150.846 -52.0515 -232.044 PRESSAVG: 2790600 46.6524 -22.8721 22.5879 -22.8721 -43.5172 8.62781 22.5879 8.62785 -2.23908 GPRESSAVG: 2790600 46.7576 -23.8357 21.7769 -22.7062 -45.1031 8.66254 23.7905 9.82462 -0.890315 TIMING: 2790600 CPU: 8715.59, 0.0031187/step Wall: 8715.59, 0.0031187/step, 1.91402 hours remaining, 235.218750 MB of memory in use. ENERGY: 2790600 3965.9332 20386.1999 14487.4258 227.4801 -203183.8182 2604.6197 0.0000 0.0000 52010.2780 -109501.8814 298.9038 -161512.1595 -109141.9983 298.7837 -232.3732 -200.8461 763107.8332 0.2987 0.2547 PRESSURE: 2790800 125.212 87.0827 142.969 87.0829 17.1691 55.0105 142.969 55.009 -62.2761 GPRESSURE: 2790800 120.362 -36.5344 109.45 99.8326 28.0956 63.8765 126.84 -72.5387 8.15747 PRESSAVG: 2790800 30.0304 10.6244 -30.9186 10.6243 -5.45937 23.2197 -30.9186 23.2197 -10.1667 GPRESSAVG: 2790800 27.0768 12.2347 -30.5721 9.11428 -4.28172 21.0243 -30.0844 22.7447 -8.85457 TIMING: 2790800 CPU: 8716.22, 0.00312368/step Wall: 8716.22, 0.00312368/step, 1.9169 hours remaining, 235.218750 MB of memory in use. ENERGY: 2790800 3962.9394 20581.0096 14501.4908 259.9274 -203769.4068 2905.3362 0.0000 0.0000 52188.6863 -109370.0171 299.9291 -161558.7034 -109008.1405 298.9650 26.7016 52.2051 761687.9903 4.8014 4.6468 PRESSURE: 2791000 -26.1027 -58.1573 140.316 -58.1581 -263.124 137.949 140.317 137.949 264.484 GPRESSURE: 2791000 -107.433 -135.821 138.497 -25.4731 -155.234 98.0642 213.3 101.701 318.368 PRESSAVG: 2791000 -47.7521 -15.2809 -2.85174 -15.2808 28.8998 9.20663 -2.85171 9.20671 -8.2502 GPRESSAVG: 2791000 -47.1944 -16.4584 -3.83148 -12.3166 29.1998 9.58682 -3.91446 9.36453 -9.36344 TIMING: 2791000 CPU: 8716.84, 0.00311343/step Wall: 8716.84, 0.00311343/step, 1.91044 hours remaining, 235.218750 MB of memory in use. ENERGY: 2791000 3941.5167 20463.0733 14509.8845 251.9286 -203006.1776 2605.4015 0.0000 0.0000 51989.2920 -109245.0811 298.7832 -161234.3732 -108887.8757 299.1742 -8.2477 18.5670 764437.4737 -9.0342 -9.1194 PRESSURE: 2791200 27.9928 -80.9982 55.4679 -80.9981 2.12024 -324.176 55.4674 -324.176 167.394 GPRESSURE: 2791200 42.8043 -61.9568 88.2646 -27.5819 7.9001 -362.463 -5.95582 -282.775 231.147 PRESSAVG: 2791200 5.30485 -79.1245 -17.6059 -79.1245 -27.8412 61.5877 -17.6059 61.5877 5.29438 GPRESSAVG: 2791200 5.30028 -77.8805 -15.7574 -82.5967 -27.2758 61.7983 -16.1378 62.4906 4.94355 TIMING: 2791200 CPU: 8717.47, 0.00312353/step Wall: 8717.47, 0.00312353/step, 1.91646 hours remaining, 235.218750 MB of memory in use. ENERGY: 2791200 3996.3530 20564.7248 14483.4924 242.7064 -204023.8894 3038.9902 0.0000 0.0000 51984.1340 -109713.4886 298.7535 -161697.6226 -109348.5999 298.7881 65.8358 93.9506 761383.2162 -5.7473 -5.6773 PRESSURE: 2791400 44.2424 140.267 -28.0497 140.267 -140.513 97.5262 -28.0495 97.527 38.6188 GPRESSURE: 2791400 22.4443 20.9093 -26.9075 131.469 -36.1275 245.661 -31.3632 -10.275 54.7782 PRESSAVG: 2791400 -9.94415 -38.7364 -28.9391 -38.7363 5.29971 -7.14069 -28.939 -7.14073 -12.6237 GPRESSAVG: 2791400 -9.56421 -40.9226 -28.6617 -34.3471 4.47995 -6.32847 -31.7961 -6.71277 -12.4545 TIMING: 2791400 CPU: 8718.09, 0.00313813/step Wall: 8718.09, 0.00313813/step, 1.92524 hours remaining, 235.218750 MB of memory in use. ENERGY: 2791400 3939.5179 20458.6329 14432.9604 239.5679 -203485.3454 2572.1700 0.0000 0.0000 52000.8922 -109841.6041 298.8498 -161842.4963 -109475.4325 298.3093 -19.2174 13.6983 762052.1716 -5.7560 -5.8463 PRESSURE: 2791600 -24.8138 -120.129 47.4974 -120.129 -283.311 -109.964 47.4978 -109.964 -476.916 GPRESSURE: 2791600 14.3568 -118.368 -22.0523 -105.686 -290.478 -100.222 67.0233 -214.208 -409.672 PRESSAVG: 2791600 19.006 -45.9591 37.0768 -45.9591 -22.0555 31.613 37.0767 31.6129 -26.4609 GPRESSAVG: 2791600 21.5238 -44.8315 35.1453 -48.3443 -23.9955 30.2452 40.6741 29.1176 -26.6297 TIMING: 2791600 CPU: 8718.72, 0.00313414/step Wall: 8718.72, 0.00313414/step, 1.92262 hours remaining, 235.218750 MB of memory in use. ENERGY: 2791600 4017.0488 20601.0653 14388.6949 237.2746 -203366.8801 2505.0547 0.0000 0.0000 51801.9151 -109815.8268 297.7063 -161617.7419 -109467.8593 297.8036 -261.6803 -228.5977 762682.8959 -9.8368 -9.7005 PRESSURE: 2791800 180.79 -74.2601 -199.584 -74.2609 362.344 -150.698 -199.583 -150.698 183.879 GPRESSURE: 2791800 244.242 -10.5922 -233.6 -162.741 289.04 -94.0907 -173.127 -69.0239 259.125 PRESSAVG: 2791800 2.60923 -18.9671 5.11245 -18.9671 -10.8494 1.00929 5.11239 1.00924 -23.3522 GPRESSAVG: 2791800 0.0617337 -17.7572 6.6938 -19.2944 -8.54461 0.329723 1.53854 4.44294 -23.8826 TIMING: 2791800 CPU: 8719.35, 0.00314995/step Wall: 8719.35, 0.00314995/step, 1.93214 hours remaining, 235.218750 MB of memory in use. ENERGY: 2791800 3883.4506 20636.1107 14439.4804 245.0814 -204105.6535 3114.2966 0.0000 0.0000 52054.5244 -109732.7094 299.1581 -161787.2338 -109381.7550 298.6072 242.3376 264.1356 762762.6909 -10.5308 -10.7885 PRESSURE: 2792000 -44.4931 49.2995 77.9751 49.2988 -43.6458 124.352 77.9758 124.351 27.9514 GPRESSURE: 2792000 20.189 -71.7937 59.8097 42.1065 -25.0524 82.8336 21.0562 124.256 39.9882 PRESSAVG: 2792000 -28.6581 -51.9691 -14.6001 -51.9691 -9.49072 -28.4314 -14.6001 -28.4314 18.796 GPRESSAVG: 2792000 -27.8696 -51.7063 -15.2891 -53.0544 -9.6024 -26.1654 -16.1607 -29.8326 18.2416 TIMING: 2792000 CPU: 8719.98, 0.00312135/step Wall: 8719.98, 0.00312135/step, 1.91443 hours remaining, 235.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2792000 3934.3190 20557.5287 14355.3867 235.9042 -203744.7743 2910.4651 0.0000 0.0000 51729.9257 -110021.2448 297.2926 -161751.1705 -109653.7512 298.1897 -20.0625 11.7083 763172.6705 -6.4509 -6.4101 PRESSURE: 2792200 -231.364 19.8868 26.3246 19.8857 171.567 55.6278 26.3251 55.6279 88.6494 GPRESSURE: 2792200 -143.566 138.949 -6.30219 -25.3866 197.133 -11.0955 159.138 13.2169 62.8106 PRESSAVG: 2792200 -15.9158 -49.4496 -3.55304 -49.4496 -5.38587 34.3313 -3.55301 34.3312 25.6724 GPRESSAVG: 2792200 -15.6987 -49.2416 -3.74756 -47.582 -5.55536 33.4162 -2.3536 33.0704 25.7238 TIMING: 2792200 CPU: 8720.6, 0.00311355/step Wall: 8720.6, 0.00311355/step, 1.90947 hours remaining, 235.218750 MB of memory in use. ENERGY: 2792200 4015.6733 20416.3116 14463.7253 249.8319 -203509.2545 2714.2436 0.0000 0.0000 51897.9972 -109751.4717 298.2585 -161649.4689 -109383.6978 298.2243 9.6174 38.7925 763477.6234 1.4569 1.4899 LDB: ============= START OF LOAD BALANCING ============== 8733.08 LDB: ============== END OF LOAD BALANCING =============== 8733.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8733.08 LDB: ============= START OF LOAD BALANCING ============== 8733.39 LDB: Largest compute 7070 load 0.029804 is 15.3% of average load 0.195085 LDB: Average compute 0.004394 is 2.3% of average load 0.195085 LDB: TIME 8733.39 LOAD: AVG 0.195085 MAX 0.216008 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.473 MB LDB: TIME 8733.39 LOAD: AVG 0.195085 MAX 0.216008 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.68 MB LDB: TIME 8733.39 LOAD: AVG 0.195085 MAX 0.216008 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.68 MB LDB: ============== END OF LOAD BALANCING =============== 8733.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8733.4 PRESSURE: 2792400 -34.3323 147.706 -151.161 147.706 279.905 -102.689 -151.16 -102.688 -47.2949 GPRESSURE: 2792400 82.5757 113.455 -220.819 42.2712 239.703 -139.816 -158.172 -60.2066 -29.9348 PRESSAVG: 2792400 22.216 -49.2602 -9.62993 -49.2602 10.0912 21.4073 -9.63003 21.4073 8.09117 GPRESSAVG: 2792400 21.6804 -48.9659 -10.3376 -49.9243 10.5936 21.7495 -5.21596 20.6747 7.73298 TIMING: 2792400 CPU: 8721.24, 0.00318818/step Wall: 8721.24, 0.00318818/step, 1.95506 hours remaining, 233.539062 MB of memory in use. ENERGY: 2792400 3962.1487 20454.3558 14437.1158 251.9813 -203715.0042 2798.4358 0.0000 0.0000 52067.7001 -109743.2668 299.2338 -161810.9669 -109385.2880 298.4595 66.0928 97.4478 762519.1487 13.4661 13.3357 PRESSURE: 2792600 -143.833 47.911 -157.973 47.9111 175.618 -92.3321 -157.973 -92.3321 5.29082 GPRESSURE: 2792600 -139.559 -37.371 -152.76 126.871 240.993 -55.9432 -101.506 -32.9653 27.4646 PRESSAVG: 2792600 20.356 -0.512476 13.8025 -0.512461 11.9068 -1.44816 13.8025 -1.44812 -13.0934 GPRESSAVG: 2792600 21.5703 -1.67787 15.694 -1.06252 10.8574 -1.74063 12.0882 1.20837 -12.7823 TIMING: 2792600 CPU: 8721.86, 0.00313465/step Wall: 8721.86, 0.00313465/step, 1.92206 hours remaining, 233.539062 MB of memory in use. ENERGY: 2792600 3916.9935 20466.2476 14472.8609 255.0082 -204140.0986 2982.2336 0.0000 0.0000 52197.2096 -109849.5452 299.9781 -162046.7547 -109481.3173 298.3663 12.3585 42.9661 762157.5683 6.3898 6.5485 PRESSURE: 2792800 372.3 134.109 289.26 134.109 115.02 26.536 289.259 26.5339 415.009 GPRESSURE: 2792800 394.98 62.1465 341.826 27.794 191.074 37.0484 234.169 -35.3838 397.762 PRESSAVG: 2792800 24.5411 18.6384 -13.8768 18.6384 -36.2027 29.0946 -13.8768 29.0946 -12.1155 GPRESSAVG: 2792800 23.3769 19.1459 -15.8763 17.6251 -35.7334 29.9924 -15.544 26.9581 -11.7155 TIMING: 2792800 CPU: 8722.49, 0.00313647/step Wall: 8722.49, 0.00313648/step, 1.92301 hours remaining, 233.539062 MB of memory in use. ENERGY: 2792800 3901.1679 20635.9737 14411.6392 239.3576 -203472.6610 2684.5842 0.0000 0.0000 51793.5712 -109806.3672 297.6584 -161599.9384 -109445.1952 298.3040 300.7763 327.9386 761178.8332 -7.9257 -8.0240 PRESSURE: 2793000 493.697 160.265 222.259 160.266 -155.712 80.6688 222.259 80.6683 -276.025 GPRESSURE: 2793000 491.414 156.406 293.588 232.684 -177.155 52.1874 118.279 81.3951 -202.344 PRESSAVG: 2793000 31.1974 -64.2132 33.5814 -64.2133 -17.7439 24.457 33.5815 24.4571 -5.58628 GPRESSAVG: 2793000 30.9115 -64.8999 35.4366 -62.9811 -17.7787 25.228 33.8222 23.754 -5.50374 TIMING: 2793000 CPU: 8723.11, 0.00312574/step Wall: 8723.11, 0.00312574/step, 1.91625 hours remaining, 233.539062 MB of memory in use. ENERGY: 2793000 4004.8316 20536.1178 14411.1434 270.0343 -203668.6632 2793.0583 0.0000 0.0000 51842.9400 -109810.5378 297.9421 -161653.4778 -109448.9903 298.8997 20.6536 37.3048 761155.7688 2.6224 2.5430 PRESSURE: 2793200 203.99 -119.164 -1.07496 -119.164 -11.2307 209.624 -1.07358 209.624 76.0527 GPRESSURE: 2793200 338.246 -98.4526 10.0518 -72.0822 -11.8858 148.71 -18.1901 163.905 40.7307 PRESSAVG: 2793200 -21.3562 -60.0577 22.4297 -60.0577 4.63676 21.7005 22.4297 21.7006 18.7374 GPRESSAVG: 2793200 -20.9408 -62.62 20.7591 -57.9396 3.37641 19.5848 24.8172 23.2349 19.6531 TIMING: 2793200 CPU: 8723.74, 0.00312376/step Wall: 8723.74, 0.00312376/step, 1.91486 hours remaining, 233.539062 MB of memory in use. ENERGY: 2793200 3934.4448 20450.5527 14408.5754 246.7680 -203247.7722 2435.4082 0.0000 0.0000 52011.9716 -109760.0515 298.9135 -161772.0231 -109391.7725 298.3683 89.6039 122.3637 762424.0140 0.6727 0.6962 PRESSURE: 2793400 -171.739 25.2958 135.215 25.2951 304.756 58.7325 135.215 58.7323 317.956 GPRESSURE: 2793400 -164.098 4.67102 174.241 -26.8816 312.706 77.9496 116.138 98.6382 377.626 PRESSAVG: 2793400 -63.8975 -89.9397 19.9069 -89.9397 59.3928 -38.164 19.9069 -38.164 -26.3439 GPRESSAVG: 2793400 -63.7761 -86.7933 20.3619 -92.4888 59.3991 -37.8239 18.2536 -37.9671 -26.6058 TIMING: 2793400 CPU: 8724.36, 0.00311919/step Wall: 8724.36, 0.00311919/step, 1.91189 hours remaining, 233.539062 MB of memory in use. ENERGY: 2793400 4079.3933 20495.7808 14437.0129 250.2362 -203914.6546 3106.7098 0.0000 0.0000 51708.5843 -109836.9372 297.1699 -161545.5215 -109472.8091 297.9127 150.3243 175.4111 762543.3420 -10.2829 -10.3276 PRESSURE: 2793600 -22.2226 -156.273 -130.473 -156.273 270.082 -21.6581 -130.473 -21.658 -113.124 GPRESSURE: 2793600 -23.1981 -166.154 -109.574 -234.981 290.715 25.5088 -94.1798 -31.8658 -40.3174 PRESSAVG: 2793600 7.46072 -45.0864 -29.9171 -45.0864 33.5046 -17.6616 -29.9172 -17.6617 24.7654 GPRESSAVG: 2793600 7.21213 -47.941 -31.2645 -43.3655 32.9178 -16.4853 -28.5404 -18.9483 25.9911 TIMING: 2793600 CPU: 8724.99, 0.0031391/step Wall: 8724.99, 0.0031391/step, 1.92392 hours remaining, 233.539062 MB of memory in use. ENERGY: 2793600 3991.0344 20480.6957 14310.3885 241.4673 -203253.6379 2607.3935 0.0000 0.0000 51684.2052 -109938.4534 297.0298 -161622.6586 -109581.4887 298.0368 44.9118 75.7331 761334.2100 21.9102 22.0404 PRESSURE: 2793800 -480.032 -98.7084 -116.255 -98.7082 -82.5304 51.183 -116.254 51.1827 -327.636 GPRESSURE: 2793800 -429.473 -79.2881 -72.6908 -99.2845 -36.5834 116.988 -49.0289 -127.902 -348.135 PRESSAVG: 2793800 -55.4536 -15.6454 6.31618 -15.6454 42.5181 35.871 6.31618 35.8711 -14.1478 GPRESSAVG: 2793800 -54.2407 -14.9362 9.67924 -15.775 43.907 36.977 4.24454 35.9995 -16.8558 TIMING: 2793800 CPU: 8725.62, 0.00315069/step Wall: 8725.62, 0.00315069/step, 1.93085 hours remaining, 233.539062 MB of memory in use. ENERGY: 2793800 4001.8732 20322.4338 14406.7397 255.9445 -203324.9393 2590.2697 0.0000 0.0000 52030.0579 -109717.6206 299.0175 -161747.6785 -109358.1538 297.8299 -296.7325 -271.3969 762817.4559 -9.0278 -9.0631 PRESSURE: 2794000 107.579 -27.8041 87.155 -27.8036 61.0434 266.966 87.1553 266.968 54.7026 GPRESSURE: 2794000 180.908 -40.0969 15.1323 69.7172 96.4661 240.548 69.311 212.794 43.7088 PRESSAVG: 2794000 -29.8214 -28.889 -28.1675 -28.889 27.256 22.0837 -28.1676 22.0837 2.9525 GPRESSAVG: 2794000 -31.1629 -28.8277 -28.1559 -30.5362 27.5776 20.8218 -27.4561 22.0051 3.80603 TIMING: 2794000 CPU: 8726.25, 0.00312776/step Wall: 8726.25, 0.00312776/step, 1.91662 hours remaining, 233.539062 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: 2794000 3998.4851 20393.1522 14388.9782 248.9167 -203596.0721 2719.6548 0.0000 0.0000 52027.5024 -109819.3826 299.0028 -161846.8851 -109452.8656 298.5710 74.4417 107.0277 760735.5122 0.1291 0.0736 PRESSURE: 2794200 -121.227 -92.611 -12.6862 -92.6112 44.7908 -103.135 -12.6861 -103.134 178.388 GPRESSURE: 2794200 -33.3764 -155.151 40.8943 -66.8434 37.0267 -53.3491 -112.969 -98.3569 199.922 PRESSAVG: 2794200 7.35541 -43.5667 -10.5655 -43.5667 -12.3075 26.91 -10.5655 26.91 -9.03747 GPRESSAVG: 2794200 6.76273 -43.1392 -11.2081 -44.5715 -13.4748 26.5929 -12.9008 28.0402 -7.2833 TIMING: 2794200 CPU: 8726.87, 0.00312016/step Wall: 8726.87, 0.00312016/step, 1.91179 hours remaining, 233.539062 MB of memory in use. ENERGY: 2794200 4012.6776 20403.4026 14460.4710 247.9827 -203594.4922 2895.9330 0.0000 0.0000 52054.4359 -109519.5894 299.1576 -161574.0253 -109163.0120 298.7823 33.9840 67.8575 762489.5615 -4.6632 -4.6651 PRESSURE: 2794400 -90.1281 70.9995 -65.2826 71.0002 67.0871 46.3318 -65.2818 46.3316 2.81613 GPRESSURE: 2794400 -61.5275 56.0534 -89.4798 -100.28 135.699 51.9042 27.0536 -93.2953 -10.5861 PRESSAVG: 2794400 -57.0944 -23.862 -42.2422 -23.862 86.7314 29.4986 -42.2422 29.4986 17.5422 GPRESSAVG: 2794400 -56.7124 -24.967 -42.2322 -22.3337 87.8895 30.5891 -40.811 28.6165 16.2877 TIMING: 2794400 CPU: 8727.49, 0.00311667/step Wall: 8727.49, 0.00311667/step, 1.90948 hours remaining, 233.539062 MB of memory in use. ENERGY: 2794400 4008.3659 20532.4232 14430.5214 243.1338 -203685.9968 2759.3360 0.0000 0.0000 52124.0292 -109588.1873 299.5575 -161712.2165 -109221.6346 299.2988 -6.7416 21.1950 761356.6562 15.7264 15.8216 PRESSURE: 2794600 55.3592 57.2686 100.886 57.2687 247.089 15.4489 100.886 15.4494 -26.1311 GPRESSURE: 2794600 30.2987 141.058 15.2689 129.359 269.198 19.2046 142.1 46.6079 67.2102 PRESSAVG: 2794600 -5.54314 -55.1979 26.1941 -55.1979 -10.5347 -22.5101 26.1941 -22.51 -17.7404 GPRESSAVG: 2794600 -4.9392 -52.323 26.0175 -56.1218 -12.0034 -22.5515 25.987 -22.1273 -17.0224 TIMING: 2794600 CPU: 8728.11, 0.00310302/step Wall: 8728.11, 0.00310302/step, 1.90094 hours remaining, 233.539062 MB of memory in use. ENERGY: 2794600 3989.6044 20418.2152 14478.0977 229.4940 -203672.3030 2902.9291 0.0000 0.0000 51969.0621 -109684.9006 298.6669 -161653.9626 -109318.9042 298.8968 92.1056 122.2357 760810.1275 -11.2727 -11.3217 PRESSURE: 2794800 -94.712 -124.828 -290.725 -124.828 54.3782 -32.3716 -290.725 -32.3702 -7.02144 GPRESSURE: 2794800 -134.266 -3.19643 -311.58 -144.883 243.11 21.2756 -307.321 34.2253 -81.7679 PRESSAVG: 2794800 16.3517 -71.2263 28.3354 -71.2263 1.39623 -29.2525 28.3355 -29.2525 -21.4242 GPRESSAVG: 2794800 16.3459 -73.6569 28.2851 -69.0438 1.2422 -30.2023 29.3754 -29.2749 -21.5385 TIMING: 2794800 CPU: 8728.74, 0.00311288/step Wall: 8728.74, 0.00311288/step, 1.90681 hours remaining, 233.539062 MB of memory in use. ENERGY: 2794800 4019.2979 20462.7331 14397.3286 253.8228 -203783.4703 2782.9227 0.0000 0.0000 52174.8355 -109692.5297 299.8495 -161867.3652 -109321.4561 298.8795 -15.7851 9.0253 761957.9462 -1.2254 -1.3168 PRESSURE: 2795000 212.95 19.1024 12.4812 19.102 201.998 100.62 12.4807 100.62 -281.765 GPRESSURE: 2795000 271.163 112.156 62.1006 -71.4766 167.191 177.525 -103.993 111.108 -232.283 PRESSAVG: 2795000 -44.5571 9.11713 31.3678 9.11712 68.2205 56.2514 31.3678 56.2514 -11.3214 GPRESSAVG: 2795000 -45.5518 8.09919 30.6042 6.75495 69.6345 58.4365 30.5825 53.7518 -12.1078 TIMING: 2795000 CPU: 8729.36, 0.00312993/step Wall: 8729.36, 0.00312993/step, 1.91708 hours remaining, 233.539062 MB of memory in use. ENERGY: 2795000 3990.3008 20475.6147 14455.5271 241.7967 -203902.8313 2884.6462 0.0000 0.0000 51969.3014 -109885.6443 298.6683 -161854.9458 -109526.8636 298.3213 44.3943 68.6902 760002.5283 4.1140 3.9917 PRESSURE: 2795200 -190.278 86.0157 102.646 86.0154 313.284 -117.611 102.645 -117.611 277.22 GPRESSURE: 2795200 -106.233 -42.5948 47.6984 161.396 358.505 -193.24 -35.2849 -62.6472 219.145 PRESSAVG: 2795200 17.597 -22.7387 15.6793 -22.7388 33.6655 56.0338 15.6792 56.0339 -14.3537 GPRESSAVG: 2795200 17.7122 -22.6453 15.6683 -21.4348 33.1738 53.3872 15.6843 57.5255 -14.4178 TIMING: 2795200 CPU: 8729.99, 0.00312249/step Wall: 8729.99, 0.00312249/step, 1.91235 hours remaining, 233.539062 MB of memory in use. ENERGY: 2795200 3971.4452 20524.8716 14397.8068 232.9262 -203406.2766 2616.2298 0.0000 0.0000 51940.8971 -109722.1000 298.5050 -161662.9971 -109362.4823 298.7427 133.4086 157.1392 761656.3154 12.3029 12.1561 PRESSURE: 2795400 56.3276 42.9472 -40.6367 42.9465 -9.91244 -250.761 -40.6371 -250.761 141.142 GPRESSURE: 2795400 169.403 4.27175 -81.7632 -34.581 -55.935 -166.406 -165.057 -159.682 181.148 PRESSAVG: 2795400 -42.1412 0.278721 -28.0904 0.278793 10.2697 21.5132 -28.0905 21.5133 12.9338 GPRESSAVG: 2795400 -41.4374 1.91473 -27.8008 -0.340198 9.89497 23.3472 -29.1754 20.5535 13.2087 TIMING: 2795400 CPU: 8730.62, 0.00314118/step Wall: 8730.62, 0.00314118/step, 1.92362 hours remaining, 233.539062 MB of memory in use. ENERGY: 2795400 3980.3638 20575.6766 14451.2484 243.6820 -203802.5698 2977.7009 0.0000 0.0000 51795.3052 -109778.5929 297.6683 -161573.8981 -109426.1032 298.1470 62.5191 98.2051 761948.1350 -6.3126 -6.1112 PRESSURE: 2795600 -75.2589 -73.0604 -133.902 -73.0601 -130.48 -44.3299 -133.901 -44.3298 -205.799 GPRESSURE: 2795600 -27.2692 -190.929 -176.955 -31.318 -92.3004 -60.6328 -177.833 -85.3258 -227.443 PRESSAVG: 2795600 -63.0029 -28.7812 -16.8522 -28.7811 66.5616 -20.0812 -16.8521 -20.0812 16.7089 GPRESSAVG: 2795600 -63.3926 -31.2256 -18.0459 -27.2762 66.173 -21.3063 -15.8871 -18.8709 16.6772 TIMING: 2795600 CPU: 8731.25, 0.00314879/step Wall: 8731.25, 0.00314879/step, 1.92811 hours remaining, 233.539062 MB of memory in use. ENERGY: 2795600 3937.6342 20337.2893 14411.0851 247.6289 -203107.1781 2402.0696 0.0000 0.0000 52052.3832 -109719.0878 299.1458 -161771.4711 -109353.4909 298.4379 -137.1793 -115.6707 761038.2208 6.7559 6.4859 PRESSURE: 2795800 -259.109 -258.637 -49.9521 -258.637 -327.908 -23.8657 -49.9525 -23.8649 -224.948 GPRESSURE: 2795800 -160.821 -130.208 -25.7416 -141.847 -364.019 -16.7664 7.65382 -89.0192 -195.268 PRESSAVG: 2795800 -10.9962 -63.8108 -22.9591 -63.8108 39.1858 -0.968264 -22.9591 -0.968221 4.01935 GPRESSAVG: 2795800 -11.2001 -61.623 -20.0448 -64.3297 39.7493 0.752198 -24.0445 -3.28906 4.19045 TIMING: 2795800 CPU: 8731.87, 0.00314273/step Wall: 8731.87, 0.00314273/step, 1.92423 hours remaining, 233.539062 MB of memory in use. ENERGY: 2795800 4000.3691 20399.2238 14412.6355 253.2548 -203147.6995 2213.0771 0.0000 0.0000 52076.9644 -109792.1748 299.2870 -161869.1392 -109425.7874 298.6315 -270.6550 -240.0359 760412.7741 10.7363 10.9132 PRESSURE: 2796000 133.039 45.0087 -55.369 45.009 56.8603 264.671 -55.3689 264.671 -57.5807 GPRESSURE: 2796000 144.193 -78.0131 -54.9999 10.1991 140.264 215.515 -2.54161 292.015 -68.986 PRESSAVG: 2796000 -39.6349 -30.4444 17.3763 -30.4444 65.6769 7.35536 17.3763 7.35537 9.38237 GPRESSAVG: 2796000 -39.9176 -34.2807 16.3396 -30.7147 65.5913 5.05124 18.3407 11.0165 9.7615 TIMING: 2796000 CPU: 8732.5, 0.00312471/step Wall: 8732.5, 0.00312471/step, 1.91302 hours remaining, 233.539062 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: 2796000 4042.1225 20311.1284 14441.2695 229.6114 -203547.2061 2669.7314 0.0000 0.0000 52080.7242 -109772.6187 299.3086 -161853.3429 -109411.1329 298.7325 44.1060 71.8236 760640.8681 11.8081 11.8117 PRESSURE: 2796200 -124.213 254.233 69.8129 254.233 87.0569 -76.4987 69.8127 -76.4996 64.9894 GPRESSURE: 2796200 -3.52875 312.745 -13.4646 261.852 43.349 -62.6393 39.2653 -114.376 85.4602 PRESSAVG: 2796200 18.6846 -4.92275 -39.0713 -4.92272 -11.4098 24.8108 -39.0713 24.8108 1.86127 GPRESSAVG: 2796200 19.3589 -2.67862 -39.865 -6.74439 -11.52 25.9401 -37.8142 23.7407 0.738592 TIMING: 2796200 CPU: 8733.12, 0.00311583/step Wall: 8733.12, 0.00311583/step, 1.90741 hours remaining, 233.539062 MB of memory in use. ENERGY: 2796200 4012.8816 20508.5340 14458.9440 229.8187 -203720.2098 2852.8106 0.0000 0.0000 51823.8727 -109833.3481 297.8325 -161657.2208 -109461.0353 298.3557 9.2779 41.7601 760492.0921 3.0454 2.8592 LDB: ============= START OF LOAD BALANCING ============== 8745.6 LDB: ============== END OF LOAD BALANCING =============== 8745.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8745.6 LDB: ============= START OF LOAD BALANCING ============== 8745.92 LDB: Largest compute 7051 load 0.029888 is 15.3% of average load 0.195141 LDB: Average compute 0.004392 is 2.3% of average load 0.195141 LDB: TIME 8745.92 LOAD: AVG 0.195141 MAX 0.214563 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.082 MB LDB: TIME 8745.92 LOAD: AVG 0.195141 MAX 0.214563 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.285 MB LDB: TIME 8745.92 LOAD: AVG 0.195141 MAX 0.214563 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.285 MB LDB: ============== END OF LOAD BALANCING =============== 8745.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8745.93 PRESSURE: 2796400 246.745 -106.675 -256.028 -106.675 277.5 142.074 -256.029 142.075 4.89256 GPRESSURE: 2796400 296.174 -66.6657 -172.093 -0.605152 300.767 95.3834 -325.053 117.194 22.2086 PRESSAVG: 2796400 32.0318 10.7279 -37.6004 10.7278 -2.78214 20.4559 -37.6004 20.4559 -14.1184 GPRESSAVG: 2796400 30.3196 9.89684 -36.4473 12.88 -2.90845 21.0386 -40.0894 20.5171 -12.4794 TIMING: 2796400 CPU: 8733.76, 0.00320244/step Wall: 8733.76, 0.00320244/step, 1.96025 hours remaining, 234.441406 MB of memory in use. ENERGY: 2796400 3953.0812 20389.5013 14479.9789 246.6455 -204032.3432 2954.4817 0.0000 0.0000 52055.0869 -109953.5678 299.1613 -162008.6546 -109593.8059 297.8201 176.3793 206.3831 760851.6035 5.0438 4.9772 PRESSURE: 2796600 -105.863 -99.2103 -165.703 -99.2097 170.689 -89.1299 -165.704 -89.1293 108.613 GPRESSURE: 2796600 -176.174 -161.262 -151.703 -66.2393 186.51 -101.146 -86.5523 50.7868 262.339 PRESSAVG: 2796600 12.2277 -57.9372 -5.79063 -57.9372 4.80399 12.3743 -5.79062 12.3745 -3.80094 GPRESSAVG: 2796600 12.1388 -56.0979 -5.94039 -58.2463 4.04411 11.6879 -4.37082 14.2332 -3.41124 TIMING: 2796600 CPU: 8734.39, 0.00314206/step Wall: 8734.39, 0.00314206/step, 1.92311 hours remaining, 234.441406 MB of memory in use. ENERGY: 2796600 3889.1303 20545.7880 14505.5947 236.7705 -203206.7319 2764.9528 0.0000 0.0000 51753.6053 -109510.8902 297.4287 -161264.4955 -109155.9644 298.6618 57.8133 90.8916 763128.2654 4.4102 4.2572 PRESSURE: 2796800 -82.6452 117.981 170.678 117.981 -252.223 54.9705 170.678 54.9709 -535.889 GPRESSURE: 2796800 -139.771 98.0453 163.509 75.8361 -177.533 35.373 211.88 -9.06901 -457.719 PRESSAVG: 2796800 -28.5439 -45.2992 26.7854 -45.2992 -41.0819 10.8734 26.7854 10.8733 4.03416 GPRESSAVG: 2796800 -28.2646 -48.9784 27.0394 -44.8779 -39.9121 12.0571 26.758 8.99122 2.59327 TIMING: 2796800 CPU: 8735.02, 0.0031355/step Wall: 8735.02, 0.0031355/step, 1.91893 hours remaining, 234.441406 MB of memory in use. ENERGY: 2796800 3888.3654 20618.4020 14422.1080 257.1786 -203114.2507 2329.4436 0.0000 0.0000 52053.4968 -109545.2563 299.1522 -161598.7531 -109176.1411 298.8776 -290.2522 -258.3409 762275.7652 -21.8639 -21.8611 PRESSURE: 2797000 -77.047 -0.768958 50.2511 -0.769467 -422.969 54.1145 50.2509 54.1151 212.852 GPRESSURE: 2797000 38.7845 -52.9 116.433 59.4489 -422.032 145.832 17.2648 -61.6104 168.65 PRESSAVG: 2797000 17.7453 -45.9005 -20.9333 -45.9005 8.89529 -42.0122 -20.9333 -42.0121 -20.5127 GPRESSAVG: 2797000 18.1326 -43.8436 -21.2035 -47.2728 8.94814 -43.8351 -21.1191 -43.6706 -21.3489 TIMING: 2797000 CPU: 8735.65, 0.00314505/step Wall: 8735.65, 0.00314505/step, 1.92459 hours remaining, 234.441406 MB of memory in use. ENERGY: 2797000 3952.5348 20540.6985 14416.6287 245.2888 -203261.1784 2526.2952 0.0000 0.0000 52137.6748 -109442.0576 299.6359 -161579.7324 -109087.7280 299.2721 -95.7216 -71.5326 762823.9135 2.0426 1.9106 PRESSURE: 2797200 -259.215 53.9469 -31.3697 53.9474 90.5821 -44.4449 -31.3702 -44.445 198.144 GPRESSURE: 2797200 -195.246 76.2691 52.1023 45.7021 64.3407 9.77691 -0.999113 -85.8916 240.638 PRESSAVG: 2797200 -2.00792 -27.0303 -22.5666 -27.0303 -18.7579 -66.6343 -22.5666 -66.6343 -2.07196 GPRESSAVG: 2797200 -1.83568 -28.1553 -23.9934 -24.2928 -19.4773 -65.4689 -24.1886 -65.2562 -1.7009 TIMING: 2797200 CPU: 8736.27, 0.00311684/step Wall: 8736.27, 0.00311684/step, 1.90716 hours remaining, 234.441406 MB of memory in use. ENERGY: 2797200 4060.8849 20531.2323 14454.1015 234.6456 -203388.4968 2821.4320 0.0000 0.0000 52055.7139 -109230.4865 299.1649 -161286.2004 -108862.6996 299.4624 9.8368 36.5777 763411.6709 -7.6126 -7.6713 PRESSURE: 2797400 -116.103 156.648 -155.764 156.648 106.584 196.272 -155.764 196.271 99.8207 GPRESSURE: 2797400 -104.095 210.606 -104.686 32.0114 180.56 211.417 -212.213 147.281 117.92 PRESSAVG: 2797400 31.5776 -42.6337 20.0813 -42.6337 -16.3009 22.626 20.0813 22.6259 -6.8552 GPRESSAVG: 2797400 31.6507 -42.0783 19.3538 -44.3054 -17.4828 22.4518 23.2911 21.1735 -5.97178 TIMING: 2797400 CPU: 8736.9, 0.00312075/step Wall: 8736.9, 0.00312075/step, 1.90938 hours remaining, 234.441406 MB of memory in use. ENERGY: 2797400 3977.7736 20442.7631 14418.6667 239.8579 -203559.2744 2829.7794 0.0000 0.0000 52267.0147 -109383.4191 300.3793 -161650.4338 -109017.2244 299.4724 30.1006 64.7951 762282.7291 2.8072 2.7320 PRESSURE: 2797600 -10.2642 -70.045 -97.0271 -70.0459 -127.212 -96.5055 -97.0273 -96.5042 -325.334 GPRESSURE: 2797600 -8.71626 -135.951 -15.9876 43.699 -133.394 -61.6746 -19.9852 -25.7395 -227.797 PRESSAVG: 2797600 -34.1251 18.6587 1.14316 18.6587 46.8729 35.6399 1.14322 35.6399 2.63833 GPRESSAVG: 2797600 -34.7719 19.5003 3.17944 18.7385 47.7222 36.7022 -0.115984 36.5842 2.49432 TIMING: 2797600 CPU: 8737.52, 0.00312837/step Wall: 8737.52, 0.00312837/step, 1.91387 hours remaining, 234.441406 MB of memory in use. ENERGY: 2797600 3986.3337 20656.1763 14390.7574 245.6301 -203548.5140 2610.6824 0.0000 0.0000 52209.0539 -109449.8802 300.0462 -161658.9341 -109085.6218 299.3662 -154.2700 -123.3027 762271.3478 5.1287 5.1482 PRESSURE: 2797800 -121.687 -133.816 65.6112 -133.816 -335.093 -145.251 65.6105 -145.252 -206.347 GPRESSURE: 2797800 -109.585 -128.311 66.616 -111.804 -311.646 -148.428 91.9648 -109.288 -159.321 PRESSAVG: 2797800 17.0056 -30.2376 31.9442 -30.2376 -3.9372 -11.459 31.9442 -11.459 -11.2476 GPRESSAVG: 2797800 16.3719 -29.655 31.2247 -30.7056 -3.39733 -13.0947 32.5474 -12.9811 -11.3061 TIMING: 2797800 CPU: 8738.15, 0.00313504/step Wall: 8738.15, 0.00313504/step, 1.91777 hours remaining, 234.441406 MB of memory in use. ENERGY: 2797800 3946.9119 20778.8973 14341.8804 245.6520 -203195.9887 2514.4428 0.0000 0.0000 51934.9912 -109433.2133 298.4711 -161368.2044 -109079.2782 298.8365 -221.0423 -193.5172 762686.9883 0.6069 0.5562 PRESSURE: 2798000 223.568 -106.984 -107.793 -106.984 -139.225 68.6356 -107.793 68.634 -237.175 GPRESSURE: 2798000 230.766 -101.725 -124.448 -211.046 -69.1339 67.9843 -125.811 144.501 -237.814 PRESSAVG: 2798000 -39.5708 -39.5376 19.9543 -39.5376 6.24262 -8.88541 19.9542 -8.88543 32.5016 GPRESSAVG: 2798000 -39.2266 -40.258 19.9779 -38.8554 6.67625 -9.89794 19.413 -6.14124 32.0531 TIMING: 2798000 CPU: 8738.77, 0.00310557/step Wall: 8738.77, 0.00310557/step, 1.89957 hours remaining, 234.441406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2798000 3953.4976 20643.0730 14376.9726 237.0004 -203694.1819 2805.5403 0.0000 0.0000 52092.0265 -109586.0714 299.3736 -161678.0978 -109216.6891 298.8133 -50.9438 -25.3939 762641.6550 -0.2755 -0.1658 PRESSURE: 2798200 46.5874 22.2502 89.1517 22.2496 194.033 -140.675 89.1519 -140.675 -35.133 GPRESSURE: 2798200 110.999 -13.1453 142.521 145.508 234.473 -137.413 88.0774 -115.467 -20.384 PRESSAVG: 2798200 -28.529 -10.8798 39.3402 -10.8797 35.08 -14.3282 39.3402 -14.3283 4.03703 GPRESSAVG: 2798200 -27.7176 -9.44224 40.9195 -10.941 33.9682 -13.177 38.8617 -15.4801 4.32539 TIMING: 2798200 CPU: 8739.39, 0.00312287/step Wall: 8739.39, 0.00312287/step, 1.90998 hours remaining, 234.441406 MB of memory in use. ENERGY: 2798200 4018.4029 20468.8426 14464.6622 253.3790 -203732.8925 3041.1493 0.0000 0.0000 51994.7806 -109491.6760 298.8147 -161486.4565 -109131.2627 298.7948 68.4960 108.3626 762126.7361 3.5294 3.5253 PRESSURE: 2798400 650.845 -60.6241 -59.3634 -60.6245 284.841 -27.8415 -59.3638 -27.8411 -90.0367 GPRESSURE: 2798400 526.444 31.6124 -109.758 -94.1921 339.697 44.7554 8.98115 -55.8685 55.1665 PRESSAVG: 2798400 -17.2946 -2.33962 18.42 -2.33963 36.2187 -54.4091 18.42 -54.4092 -2.54156 GPRESSAVG: 2798400 -18.6264 -3.92117 15.4603 -3.51763 37.2685 -54.8631 19.2219 -53.8711 -2.08071 TIMING: 2798400 CPU: 8740.02, 0.00314275/step Wall: 8740.02, 0.00314275/step, 1.92197 hours remaining, 234.441406 MB of memory in use. ENERGY: 2798400 3952.9026 20631.4988 14408.5785 244.6130 -203720.1776 2800.0001 0.0000 0.0000 52192.6171 -109489.9674 299.9517 -161682.5845 -109134.0593 298.9357 281.8830 307.1026 761774.7627 5.4608 5.5205 PRESSURE: 2798600 -104.542 -23.5943 91.9701 -23.5935 -232.872 242.919 91.9697 242.919 210.839 GPRESSURE: 2798600 -22.5626 -7.89271 40.7782 3.53852 -185.345 230.69 43.1978 161.392 168.661 PRESSAVG: 2798600 15.405 -17.0039 -12.024 -17.0039 21.2078 -32.7735 -12.0241 -32.7736 -4.1171 GPRESSAVG: 2798600 16.2199 -16.2906 -11.4115 -16.3628 21.2521 -31.7437 -12.6029 -36.0708 -4.94053 TIMING: 2798600 CPU: 8740.65, 0.0031357/step Wall: 8740.65, 0.0031357/step, 1.91748 hours remaining, 234.441406 MB of memory in use. ENERGY: 2798600 4003.9797 20460.4510 14447.0023 255.2297 -203520.3454 2923.2694 0.0000 0.0000 52023.1702 -109407.2430 298.9779 -161430.4133 -109041.3378 299.1453 -42.1916 -13.0824 763314.0079 10.8319 10.8438 PRESSURE: 2798800 -242.68 48.037 -53.0193 48.0365 160.567 -426.014 -53.019 -426.014 65.0902 GPRESSURE: 2798800 -96.5233 -19.9475 6.62763 -46.0015 103.927 -361.796 33.6426 -344.832 96.9699 PRESSAVG: 2798800 -20.0677 8.28942 23.1086 8.28943 75.9578 9.04747 23.1086 9.04756 16.8227 GPRESSAVG: 2798800 -18.3908 6.04573 25.5176 8.66166 75.4196 8.39926 22.1247 12.7235 16.2987 TIMING: 2798800 CPU: 8741.27, 0.00312345/step Wall: 8741.27, 0.00312346/step, 1.90982 hours remaining, 234.441406 MB of memory in use. ENERGY: 2798800 3990.6718 20559.8116 14445.1936 241.6979 -203746.3715 2971.1334 0.0000 0.0000 52155.8271 -109382.0360 299.7403 -161537.8631 -109020.8485 299.5239 -5.6741 34.7912 762256.8693 24.2376 24.4425 PRESSURE: 2799000 -311.455 -42.6998 4.51344 -42.7 -39.2102 88.1024 4.51291 88.1027 -370.649 GPRESSURE: 2799000 -380.43 -114.435 -23.8369 -61.1856 42.2297 103.079 9.0045 -17.4676 -311.837 PRESSAVG: 2799000 -62.5753 32.7219 -2.0031 32.7219 41.7369 -7.60033 -2.00312 -7.60034 1.44047 GPRESSAVG: 2799000 -62.9244 33.449 -3.07355 32.7114 41.3564 -6.33773 -0.101048 -9.87799 2.26643 TIMING: 2799000 CPU: 8741.9, 0.00314145/step Wall: 8741.9, 0.00314145/step, 1.92065 hours remaining, 234.441406 MB of memory in use. ENERGY: 2799000 3978.2084 20567.9352 14474.5245 231.5360 -203422.9665 2527.8074 0.0000 0.0000 52022.0855 -109620.8694 298.9716 -161642.9550 -109246.0649 298.8813 -240.4382 -216.6791 762244.5967 -6.4660 -6.4338 PRESSURE: 2799200 -55.5996 -77.7696 -253.694 -77.7695 67.1868 90.5421 -253.693 90.5426 -240.575 GPRESSURE: 2799200 -13.6263 -83.7656 -285.37 -163.453 100.425 -21.6342 -248.548 172.465 -235.885 PRESSAVG: 2799200 -56.6513 -9.55008 -50.1335 -9.55006 60.4792 -34.3861 -50.1335 -34.3861 -1.51523 GPRESSAVG: 2799200 -56.7645 -8.15355 -51.0722 -11.3735 61.0321 -33.9663 -53.2483 -34.663 -2.10727 TIMING: 2799200 CPU: 8742.53, 0.00312075/step Wall: 8742.53, 0.00312075/step, 1.90782 hours remaining, 234.441406 MB of memory in use. ENERGY: 2799200 3945.9743 20749.0646 14412.1159 242.4785 -203427.4261 2492.7663 0.0000 0.0000 51893.1991 -109691.8274 298.2309 -161585.0265 -109329.7509 298.5429 -76.3294 -49.6954 761405.2510 0.7709 0.7201 PRESSURE: 2799400 -212.913 -46.6431 -175.137 -46.6442 184.024 58.3077 -175.138 58.3076 -373.433 GPRESSURE: 2799400 -223.093 -177.66 -268.429 -111.97 270.664 124.258 -45.2773 -20.3669 -368.495 PRESSAVG: 2799400 -19.4803 -4.09956 -25.5858 -4.09954 35.4548 45.7917 -25.5858 45.7917 16.9326 GPRESSAVG: 2799400 -21.0236 -4.82743 -25.1217 -1.46905 35.2386 44.7891 -24.7214 47.6872 18.3545 TIMING: 2799400 CPU: 8743.15, 0.00309912/step Wall: 8743.15, 0.00309912/step, 1.89443 hours remaining, 234.441406 MB of memory in use. ENERGY: 2799400 4013.8958 20474.4124 14403.8863 260.8548 -203442.0893 2740.7413 0.0000 0.0000 51890.7723 -109657.5265 298.2170 -161548.2988 -109292.5786 298.8339 -134.1073 -106.9747 761191.2891 10.9691 10.8565 PRESSURE: 2799600 321.141 -23.0107 202.141 -23.0108 -5.97118 84.4963 202.141 84.4975 298.318 GPRESSURE: 2799600 370.79 -16.1998 212.912 -182.736 64.6997 126.237 181.171 46.3633 278.451 PRESSAVG: 2799600 -19.9143 -30.8662 3.09265 -30.8663 19.2136 55.8664 3.09264 55.8664 0.401674 GPRESSAVG: 2799600 -19.5757 -30.5045 3.53602 -32.3192 20.664 56.6483 4.2033 52.7682 -1.41671 TIMING: 2799600 CPU: 8743.77, 0.00312017/step Wall: 8743.77, 0.00312017/step, 1.90712 hours remaining, 234.441406 MB of memory in use. ENERGY: 2799600 4031.0148 20621.1357 14385.5145 237.1372 -203764.2242 3036.7493 0.0000 0.0000 51939.4668 -109513.2059 298.4968 -161452.6726 -109164.1178 299.0050 204.4959 237.9803 760814.8705 -0.0997 -0.1095 PRESSURE: 2799800 -84.6894 -129.513 -346.465 -129.514 -14.4214 -1.44665 -346.464 -1.44819 -270.798 GPRESSURE: 2799800 -53.8032 -97.2305 -340.045 -76.0734 26.5276 95.909 -295.089 -10.0197 -260.168 PRESSAVG: 2799800 1.23726 -57.4446 11.443 -57.4446 27.4866 -7.31858 11.4431 -7.31861 14.2035 GPRESSAVG: 2799800 0.658604 -56.9975 11.4556 -56.4798 27.3762 -9.08655 10.3679 -4.45799 14.8003 TIMING: 2799800 CPU: 8744.4, 0.00315673/step Wall: 8744.4, 0.00315673/step, 1.92929 hours remaining, 234.441406 MB of memory in use. ENERGY: 2799800 3981.5549 20574.7528 14451.8904 259.0949 -203858.6103 2852.6577 0.0000 0.0000 52133.3612 -109605.2983 299.6111 -161738.6595 -109243.3772 299.4669 -123.3029 -95.8144 760813.9299 14.3091 14.2784 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2800000 WRITING COORDINATES TO RESTART FILE AT STEP 2800000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2800000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2800000 -63.412 20.2183 -237.707 20.2187 -136.404 -3.66595 -237.707 -3.66619 -324.485 GPRESSURE: 2800000 -110.109 48.6457 -216.166 -77.951 -88.2509 -74.5245 -209.85 -63.1643 -242.969 PRESSAVG: 2800000 -92.5804 -36.2704 -0.445098 -36.2704 79.5345 24.3328 -0.445013 24.3327 -9.8087 GPRESSAVG: 2800000 -91.6524 -34.4296 0.287345 -37.4402 78.7226 24.4737 -0.198287 24.1026 -9.85051 TIMING: 2800000 CPU: 8745.05, 0.00321998/step Wall: 8745.05, 0.00321998/step, 1.96777 hours remaining, 234.441406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2800000 3932.4485 20490.7071 14426.7782 248.0411 -203533.2328 2528.4827 0.0000 0.0000 52304.2905 -109602.4848 300.5935 -161906.7752 -109226.7949 299.1359 -174.7670 -147.1094 761675.7059 -7.6182 -7.5935 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2800000 PRESSURE: 2800200 124.587 -99.2644 86.5881 -99.2645 14.283 18.346 86.588 18.3455 -235.152 GPRESSURE: 2800200 162.897 -73.4393 25.5799 -222.09 -8.55124 78.4316 105.598 256.319 -169.603 PRESSAVG: 2800200 -53.419 -58.0544 -4.23431 -58.0543 29.5242 -22.6022 -4.23432 -22.6022 -14.9876 GPRESSAVG: 2800200 -53.451 -61.0964 -4.6429 -58.0118 29.1892 -21.7472 -5.93168 -22.1958 -14.643 TIMING: 2800200 CPU: 8745.67, 0.0031323/step Wall: 8745.67, 0.0031323/step, 1.91401 hours remaining, 234.441406 MB of memory in use. ENERGY: 2800200 4022.9076 20753.4397 14420.5461 245.2231 -203871.4985 2855.0780 0.0000 0.0000 52224.3071 -109349.9969 300.1338 -161574.3040 -108986.5818 299.5944 -32.0939 -5.0858 763168.6027 -12.9608 -12.9683 LDB: ============= START OF LOAD BALANCING ============== 8758.15 LDB: ============== END OF LOAD BALANCING =============== 8758.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8758.15 LDB: ============= START OF LOAD BALANCING ============== 8758.46 LDB: Largest compute 7070 load 0.031756 is 16.3% of average load 0.195035 LDB: Average compute 0.004399 is 2.3% of average load 0.195035 LDB: TIME 8758.47 LOAD: AVG 0.195035 MAX 0.21399 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 8758.47 LOAD: AVG 0.195035 MAX 0.21399 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: TIME 8758.47 LOAD: AVG 0.195035 MAX 0.21399 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: ============== END OF LOAD BALANCING =============== 8758.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8758.48 PRESSURE: 2800400 -172.957 -237.868 -108.092 -237.867 64.9401 -79.7971 -108.093 -79.7975 143.425 GPRESSURE: 2800400 -143.231 -251.897 -77.0257 -183.442 136.93 -136.767 -38.4737 -133.709 137.494 PRESSAVG: 2800400 -25.2621 -33.3404 -9.11453 -33.3404 10.5056 -10.2826 -9.11449 -10.2826 18.0021 GPRESSAVG: 2800400 -25.7806 -32.8678 -8.91987 -32.2725 11.4548 -13.0289 -7.21789 -8.75948 17.751 TIMING: 2800400 CPU: 8746.31, 0.00318782/step Wall: 8746.31, 0.00318782/step, 1.94776 hours remaining, 235.535156 MB of memory in use. ENERGY: 2800400 3983.8932 20747.5768 14392.2388 239.9064 -203842.0144 2693.5136 0.0000 0.0000 52278.3070 -109506.5785 300.4441 -161784.8855 -109141.8124 299.6796 11.8025 43.7310 762677.7998 1.0818 1.1417 PRESSURE: 2800600 135.312 -250.925 -32.3214 -250.924 -55.0019 -373.752 -32.3212 -373.751 -192.643 GPRESSURE: 2800600 175.181 -189.537 56.9061 -167.951 -65.9793 -455.119 30.8219 -331.236 -160.065 PRESSAVG: 2800600 -41.2109 -0.643322 0.734056 -0.643365 51.1716 -24.7851 0.734007 -24.7851 1.37882 GPRESSAVG: 2800600 -42.264 -1.18856 0.542293 -3.71984 51.5897 -23.6829 2.39368 -26.0978 1.80409 TIMING: 2800600 CPU: 8746.93, 0.00311412/step Wall: 8746.93, 0.00311412/step, 1.90256 hours remaining, 235.738281 MB of memory in use. ENERGY: 2800600 3926.4727 20608.2803 14411.7442 250.0340 -203671.9692 2604.6913 0.0000 0.0000 52041.0221 -109829.7246 299.0805 -161870.7467 -109454.9093 299.5943 -37.4441 -16.9543 762508.8843 3.7798 3.7099 PRESSURE: 2800800 -30.5274 -66.8458 -132.196 -66.8459 212.543 64.884 -132.196 64.8833 484.035 GPRESSURE: 2800800 21.8687 -64.5191 -192.497 -109.44 285.726 100.691 -79.2731 -66.7221 437.169 PRESSAVG: 2800800 12.2009 -80.1182 20.6887 -80.1182 -18.7899 6.81867 20.6888 6.81874 -20.3564 GPRESSAVG: 2800800 13.3214 -80.3229 19.4448 -76.4399 -19.8115 8.0302 20.0358 6.63287 -20.2416 TIMING: 2800800 CPU: 8747.56, 0.00314007/step Wall: 8747.56, 0.00314007/step, 1.91823 hours remaining, 235.738281 MB of memory in use. ENERGY: 2800800 4064.4663 20515.0065 14445.8965 251.6968 -203680.6383 2727.8434 0.0000 0.0000 52144.4684 -109531.2604 299.6750 -161675.7289 -109173.7757 299.0801 222.0169 248.2543 760691.2068 -8.9818 -8.9105 PRESSURE: 2801000 116.24 -72.5854 -10.6037 -72.5854 138.424 -200.447 -10.6033 -200.448 40.869 GPRESSURE: 2801000 122.995 -150.796 -13.7117 -30.1409 110.84 -187.476 -27.8247 -243.768 140.373 PRESSAVG: 2801000 -10.2765 -43.1131 -36.7551 -43.1131 56.1112 -13.3264 -36.7551 -13.3265 -19.4784 GPRESSAVG: 2801000 -11.3726 -43.182 -35.7886 -43.0442 55.484 -14.61 -37.0778 -12.4124 -18.9625 TIMING: 2801000 CPU: 8748.18, 0.00311903/step Wall: 8748.18, 0.00311903/step, 1.90521 hours remaining, 235.738281 MB of memory in use. ENERGY: 2801000 3940.5130 20497.1600 14469.7960 250.6057 -203443.2969 2757.6536 0.0000 0.0000 51985.5826 -109541.9859 298.7619 -161527.5685 -109169.5808 299.3926 98.5108 124.7359 760836.6508 8.7855 8.3829 PRESSURE: 2801200 -546.383 55.8554 -74.9044 55.8557 -31.2291 -39.1465 -74.9044 -39.1474 -147.539 GPRESSURE: 2801200 -427.881 -23.956 -26.458 23.037 -2.81838 71.8923 -115.274 -55.0924 -190.375 PRESSAVG: 2801200 -52.6476 -77.4725 54.1306 -77.4725 28.8576 -19.5604 54.1305 -19.5603 -8.2479 GPRESSAVG: 2801200 -52.0835 -75.8636 53.1558 -77.7972 28.2443 -18.9099 54.1393 -19.3023 -8.40023 TIMING: 2801200 CPU: 8748.81, 0.00311824/step Wall: 8748.81, 0.00311824/step, 1.90455 hours remaining, 235.738281 MB of memory in use. ENERGY: 2801200 4040.2817 20577.4685 14394.2297 239.3390 -202939.7313 2256.6557 0.0000 0.0000 51952.1381 -109479.6185 298.5697 -161431.7567 -109114.3544 299.1138 -241.7170 -207.0249 762819.8222 -10.6793 -10.7465 PRESSURE: 2801400 217.115 -256.19 -8.80847 -256.19 -262.549 -83.2975 -8.80819 -83.2981 9.28656 GPRESSURE: 2801400 269.57 -204.943 9.39049 -267.563 -304.748 -98.1974 -21.0297 -107.935 82.3268 PRESSAVG: 2801400 2.71202 -39.5833 21.0911 -39.5833 10.4957 -9.31032 21.0912 -9.31031 -15.968 GPRESSAVG: 2801400 2.99685 -40.0204 22.3029 -41.123 10.8357 -10.1076 22.6956 -11.3198 -16.1643 TIMING: 2801400 CPU: 8749.43, 0.00312924/step Wall: 8749.43, 0.00312924/step, 1.91109 hours remaining, 235.738281 MB of memory in use. ENERGY: 2801400 4014.3453 20411.6436 14464.0240 254.6548 -202917.1319 2552.7383 0.0000 0.0000 51980.4392 -109239.2868 298.7323 -161219.7259 -108873.2896 298.3906 -12.0492 15.7164 763005.2054 -0.9201 -0.7772 PRESSURE: 2801600 85.1313 -121.027 96.0532 -121.027 203.965 74.5771 96.0533 74.5764 -50.7189 GPRESSURE: 2801600 132.206 -113.649 31.4006 -109.755 186.586 19.3016 28.3409 148.314 -3.91612 PRESSAVG: 2801600 -41.9399 -6.0516 -12.6252 -6.0516 42.0307 -64.3174 -12.6253 -64.3174 -0.995684 GPRESSAVG: 2801600 -41.8529 -6.00011 -12.879 -6.82266 41.7217 -63.638 -16.0335 -63.162 -0.785412 TIMING: 2801600 CPU: 8750.06, 0.00311543/step Wall: 8750.06, 0.00311544/step, 1.90249 hours remaining, 235.738281 MB of memory in use. ENERGY: 2801600 4040.2287 20584.2760 14469.9060 257.7666 -203319.0275 2801.2062 0.0000 0.0000 51790.8857 -109374.7582 297.6429 -161165.6440 -109016.7304 299.1497 79.4591 104.9584 762175.3393 -0.3016 -0.3055 PRESSURE: 2801800 80.4811 62.4522 127.636 62.4521 -58.0709 -77.9376 127.636 -77.9368 -317.252 GPRESSURE: 2801800 69.3819 -36.6029 159.234 147.431 18.2894 -67.1111 109.598 -129.149 -310.078 PRESSAVG: 2801800 18.7376 5.58751 -12.0377 5.5875 -29.4681 -56.3826 -12.0377 -56.3827 33.9814 GPRESSAVG: 2801800 18.4563 4.57005 -11.2705 6.96433 -27.8347 -56.0365 -10.6598 -57.2656 32.3136 TIMING: 2801800 CPU: 8750.68, 0.00312642/step Wall: 8750.68, 0.00312642/step, 1.90903 hours remaining, 235.738281 MB of memory in use. ENERGY: 2801800 4026.4554 20553.9438 14406.3779 260.7855 -202888.7659 2246.6925 0.0000 0.0000 52010.8839 -109383.6269 298.9073 -161394.5107 -109007.5194 299.1004 -98.2805 -74.1354 762639.8532 7.7503 7.6451 PRESSURE: 2802000 186.384 56.9595 -135.536 56.9601 410.472 -7.43134 -135.537 -7.43231 239.719 GPRESSURE: 2802000 239.81 112.281 -179.132 36.4778 320.951 85.3469 -143.027 -42.5643 340.729 PRESSAVG: 2802000 -21.542 -3.74866 -53.9693 -3.74864 -1.49417 -56.2773 -53.9693 -56.2773 9.53371 GPRESSAVG: 2802000 -21.9999 -2.12503 -52.5308 -4.77319 -1.78298 -56.7303 -54.8148 -54.3026 10.4763 TIMING: 2802000 CPU: 8751.3, 0.00310919/step Wall: 8751.3, 0.00310919/step, 1.89833 hours remaining, 235.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2802000 3899.9841 20653.4655 14401.5777 247.7367 -203189.4133 2353.9860 0.0000 0.0000 52025.4327 -109607.2306 298.9909 -161632.6632 -109242.4183 298.8116 278.8585 300.4964 760598.3701 -4.5008 -4.4355 PRESSURE: 2802200 57.9796 67.8334 5.31819 67.8341 -124.294 -176.728 5.31851 -176.728 204.748 GPRESSURE: 2802200 93.1755 -88.0507 7.18829 -96.4434 -113.102 -194.964 157.661 1.547 230.83 PRESSAVG: 2802200 -15.3178 31.7967 -2.68728 31.7967 -7.44495 -0.355051 -2.68727 -0.355075 -10.3754 GPRESSAVG: 2802200 -14.6452 31.6848 -4.86098 32.17 -8.70588 -2.977 -0.872432 -0.499459 -9.50591 TIMING: 2802200 CPU: 8751.93, 0.00311866/step Wall: 8751.93, 0.00311866/step, 1.90394 hours remaining, 235.738281 MB of memory in use. ENERGY: 2802200 3974.9606 20582.9937 14451.0134 248.8636 -203216.8015 2293.0130 0.0000 0.0000 51958.8285 -109707.1286 298.6081 -161665.9571 -109342.0689 298.5526 46.1443 70.3012 761420.5941 -11.0460 -10.9523 PRESSURE: 2802400 -177.309 178.493 75.7387 178.493 216.335 72.8442 75.7389 72.8444 231.722 GPRESSURE: 2802400 -155.989 110.393 120.373 120.47 268.363 26.8427 64.2179 122.952 241.341 PRESSAVG: 2802400 -20.8678 20.9638 7.07887 20.9638 -15.4154 -3.44996 7.07885 -3.45 13.8194 GPRESSAVG: 2802400 -21.0251 19.6205 5.63522 21.2077 -15.4911 0.383738 7.95439 -3.35159 13.263 TIMING: 2802400 CPU: 8752.56, 0.00314733/step Wall: 8752.56, 0.00314733/step, 1.92127 hours remaining, 235.738281 MB of memory in use. ENERGY: 2802400 4021.6062 20448.9698 14439.1560 249.0531 -203542.0019 2545.7456 0.0000 0.0000 52202.6468 -109634.8245 300.0093 -161837.4713 -109268.3253 298.6822 90.2493 117.9051 761564.1991 -7.4879 -7.7511 PRESSURE: 2802600 -55.4477 68.0298 -53.1039 68.0305 253.808 -2.44083 -53.1043 -2.44098 301.095 GPRESSURE: 2802600 -30.3796 178.166 2.92031 109.282 287.513 -32.2404 17.9809 -169.489 320.587 PRESSAVG: 2802600 -13.8661 26.0163 1.57297 26.0164 51.8744 5.79117 1.573 5.79107 -2.9535 GPRESSAVG: 2802600 -13.5524 26.9385 4.69755 26.6253 51.74 4.5048 1.22906 5.73381 -3.22224 TIMING: 2802600 CPU: 8753.18, 0.003113/step Wall: 8753.18, 0.003113/step, 1.90014 hours remaining, 235.738281 MB of memory in use. ENERGY: 2802600 3979.7638 20488.1690 14414.6707 242.0751 -203607.1899 2644.5467 0.0000 0.0000 51895.0114 -109942.9532 298.2413 -161837.9646 -109570.2952 298.3417 166.4851 192.5734 762355.3518 11.6849 11.6551 PRESSURE: 2802800 283.905 -44.5428 -113.463 -44.5431 288.506 118.96 -113.463 118.959 24.9066 GPRESSURE: 2802800 297.619 -23.954 -57.3048 -92.7021 311.908 85.3125 -113.184 10.8071 88.747 PRESSAVG: 2802800 -21.5233 -0.658009 -15.2199 -0.658005 8.29243 -46.4682 -15.2199 -46.4683 -10.0275 GPRESSAVG: 2802800 -21.723 -1.63045 -15.6408 -0.280615 8.90135 -45.6796 -15.9399 -48.1193 -10.3408 TIMING: 2802800 CPU: 8753.81, 0.00313218/step Wall: 8753.81, 0.00313218/step, 1.91168 hours remaining, 235.738281 MB of memory in use. ENERGY: 2802800 3951.0467 20506.4982 14465.3934 256.8289 -203857.0001 2977.8049 0.0000 0.0000 51713.8291 -109985.5989 297.2001 -161699.4281 -109630.0630 298.0191 199.1059 232.7578 762252.7387 -7.7528 -7.7208 PRESSURE: 2803000 -210.963 -194.572 103.793 -194.572 -141.291 -120.381 103.793 -120.382 -462.644 GPRESSURE: 2803000 -155.435 -162.462 71.043 -161.708 -119.936 -86.4799 48.7804 -115.634 -440.194 PRESSAVG: 2803000 -0.469701 -12.5912 -32.6011 -12.5911 11.3622 -42.3485 -32.6011 -42.3484 3.40373 GPRESSAVG: 2803000 -1.19296 -13.8741 -34.4783 -11.6742 11.046 -42.6418 -33.5066 -41.5785 4.1514 TIMING: 2803000 CPU: 8754.43, 0.00313672/step Wall: 8754.43, 0.00313672/step, 1.91427 hours remaining, 235.738281 MB of memory in use. ENERGY: 2803000 4032.5432 20419.3983 14468.7380 240.7059 -203575.7926 2550.7809 0.0000 0.0000 51771.4113 -110092.2150 297.5310 -161863.6263 -109727.9643 297.9843 -271.6329 -238.5218 762230.4252 4.7654 4.6681 PRESSURE: 2803200 445.708 268.038 67.2292 268.038 -431.321 -31.4963 67.229 -31.4965 -355.349 GPRESSURE: 2803200 412.4 269.112 61.0943 219.081 -312.796 -8.94892 141.717 -90.9091 -356.278 PRESSAVG: 2803200 24.3678 -31.1193 -35.8673 -31.1193 -40.7804 -1.51715 -35.8673 -1.51718 2.13461 GPRESSAVG: 2803200 25.5259 -29.1233 -34.6914 -33.0853 -40.0035 -1.23237 -34.8036 -1.50017 0.283462 TIMING: 2803200 CPU: 8755.06, 0.00312359/step Wall: 8755.06, 0.00312359/step, 1.90608 hours remaining, 235.738281 MB of memory in use. ENERGY: 2803200 4001.5726 20303.6815 14452.4791 242.0422 -203759.2465 2629.6550 0.0000 0.0000 52127.3991 -110002.4170 299.5769 -162129.8161 -109632.5140 298.5657 -113.6539 -85.5582 761982.5799 -4.7593 -4.7314 PRESSURE: 2803400 -258.673 4.59833 -194.148 4.59901 -51.666 -165.411 -194.148 -165.411 -235.482 GPRESSURE: 2803400 -308.612 152.206 -169.813 188.565 44.0266 -137.405 -178.971 -268.336 -195.826 PRESSAVG: 2803400 19.9362 -25.0187 -48.2599 -25.0186 12.9679 -51.6513 -48.26 -51.6513 1.40052 GPRESSAVG: 2803400 20.5819 -24.6302 -48.9269 -23.1362 11.2255 -52.1844 -47.2618 -51.9291 2.6873 TIMING: 2803400 CPU: 8755.69, 0.00313544/step Wall: 8755.69, 0.00313544/step, 1.91314 hours remaining, 235.738281 MB of memory in use. ENERGY: 2803400 4001.9188 20762.0328 14422.2549 238.2555 -203535.7789 2460.1942 0.0000 0.0000 51951.5582 -109699.5644 298.5663 -161651.1227 -109338.9894 298.3721 -181.9404 -153.4703 763692.0085 11.4349 11.4982 PRESSURE: 2803600 -503.94 -43.6374 -61.2707 -43.6365 -348.038 -102.595 -61.2706 -102.594 237.353 GPRESSURE: 2803600 -440.837 24.3156 -14.0403 -36.6212 -348.534 -109.695 -162.608 -181.626 252.816 PRESSAVG: 2803600 -27.2279 -38.5413 6.34766 -38.5413 15.5024 -39.3595 6.34762 -39.3594 5.88561 GPRESSAVG: 2803600 -29.0379 -40.4682 6.30043 -38.1796 16.9774 -39.1893 6.78632 -37.196 6.66977 TIMING: 2803600 CPU: 8756.31, 0.00312099/step Wall: 8756.31, 0.00312099/step, 1.90415 hours remaining, 235.738281 MB of memory in use. ENERGY: 2803600 3969.1213 20537.7922 14409.6994 228.5701 -203083.8620 2218.3963 0.0000 0.0000 51897.4455 -109822.8371 298.2553 -161720.2826 -109458.0265 298.2344 -204.8748 -178.8513 762549.2972 -1.9466 -1.7969 PRESSURE: 2803800 -157.155 161.272 -14.7926 161.273 -147.981 197.272 -14.7927 197.273 18.9046 GPRESSURE: 2803800 -64.2376 113.533 -33.4001 219.102 -121.384 127.255 -229.794 313.698 -4.9112 PRESSAVG: 2803800 -17.6011 -8.88532 -29.5484 -8.8853 7.39011 2.6914 -29.5483 2.69149 -8.39919 GPRESSAVG: 2803800 -16.6556 -8.70545 -29.1213 -11.7701 7.2784 1.31364 -31.5574 -0.917516 -9.6347 TIMING: 2803800 CPU: 8756.93, 0.00311349/step Wall: 8756.93, 0.00311349/step, 1.8994 hours remaining, 235.738281 MB of memory in use. ENERGY: 2803800 4037.4368 20609.4623 14393.8217 243.6503 -203356.8313 2472.3489 0.0000 0.0000 51888.2798 -109711.8315 298.2027 -161600.1114 -109360.4999 298.4289 -95.4105 -63.5110 762747.3024 -6.2034 -6.3373 PRESSURE: 2804000 251.093 13.3824 359.64 13.3821 -61.8976 -115.687 359.64 -115.685 -324.945 GPRESSURE: 2804000 162.216 26.067 327.496 76.9894 26.972 -106.508 229.714 -188.455 -225.284 PRESSAVG: 2804000 30.9832 21.0775 -26.3791 21.0775 8.4748 27.9797 -26.3792 27.9797 -20.0929 GPRESSAVG: 2804000 29.6875 21.3163 -27.1047 23.2396 8.65467 28.3042 -25.8807 29.2669 -19.6153 TIMING: 2804000 CPU: 8757.55, 0.0031019/step Wall: 8757.55, 0.0031019/step, 1.89216 hours remaining, 235.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2804000 4075.1056 20405.1235 14433.4733 228.0496 -203739.3324 2949.2578 0.0000 0.0000 51852.9852 -109795.3375 297.9998 -161648.3226 -109429.4291 298.4560 -45.2499 -12.0319 761932.1829 6.4551 6.2423 PRESSURE: 2804200 -285.357 -168.441 192.105 -168.441 -224.926 32.7202 192.106 32.7198 -328.551 GPRESSURE: 2804200 -356.699 -228.405 192.664 -89.1556 -62.9802 45.6351 187.336 22.4872 -342.307 PRESSAVG: 2804200 -14.0063 -28.8248 9.91472 -28.8248 0.732145 -60.4285 9.91479 -60.4286 18.6786 GPRESSAVG: 2804200 -12.5307 -29.3549 10.717 -28.0569 0.80034 -60.7901 10.1454 -60.2943 17.3988 TIMING: 2804200 CPU: 8758.17, 0.00310664/step Wall: 8758.17, 0.00310664/step, 1.89488 hours remaining, 235.738281 MB of memory in use. ENERGY: 2804200 4020.2952 20576.5540 14412.3565 256.8873 -202788.5416 2205.3976 0.0000 0.0000 51894.3583 -109422.6927 298.2376 -161317.0509 -109059.1529 297.9762 -279.6113 -253.9954 762791.8287 1.8015 1.8895 LDB: ============= START OF LOAD BALANCING ============== 8770.65 LDB: ============== END OF LOAD BALANCING =============== 8770.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8770.66 LDB: ============= START OF LOAD BALANCING ============== 8770.97 LDB: Largest compute 7070 load 0.030091 is 15.4% of average load 0.194927 LDB: Average compute 0.004410 is 2.3% of average load 0.194927 LDB: TIME 8770.97 LOAD: AVG 0.194927 MAX 0.219289 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.801 MB LDB: TIME 8770.97 LOAD: AVG 0.194927 MAX 0.219289 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.895 MB LDB: TIME 8770.97 LOAD: AVG 0.194927 MAX 0.217203 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.895 MB LDB: ============== END OF LOAD BALANCING =============== 8770.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8770.98 PRESSURE: 2804400 93.8287 -167.176 -181.812 -167.176 -27.6161 -298.246 -181.812 -298.246 -453.203 GPRESSURE: 2804400 122.985 -91.4303 -131.072 -228.648 5.10617 -229.421 -91.8449 -260.655 -406.291 PRESSAVG: 2804400 -35.834 -30.5612 -3.74175 -30.5612 57.0781 0.579491 -3.74181 0.579523 -13.3799 GPRESSAVG: 2804400 -36.2677 -28.9998 -2.87374 -31.117 56.7836 1.80221 -3.72407 -0.212433 -12.7415 TIMING: 2804400 CPU: 8758.82, 0.00320868/step Wall: 8758.82, 0.00320868/step, 1.95694 hours remaining, 234.765625 MB of memory in use. ENERGY: 2804400 3965.6361 20564.4066 14420.8497 248.8618 -203043.6493 2477.7337 0.0000 0.0000 51776.6686 -109589.4927 297.5612 -161366.1613 -109224.2724 298.2799 -128.9969 -92.7332 762297.0396 2.6214 2.5914 PRESSURE: 2804600 -6.3751 -85.2643 212.765 -85.2653 156.483 -78.9826 212.765 -78.9824 146.094 GPRESSURE: 2804600 69.4146 -78.759 221.923 -115.465 136.653 -46.6385 115.706 -98.9186 158.984 PRESSAVG: 2804600 -11.6575 -50.0027 6.92388 -50.0027 -12.4121 -37.8963 6.92393 -37.8963 -10.4096 GPRESSAVG: 2804600 -12.0859 -51.1655 6.35603 -51.4669 -12.4773 -38.9658 8.0671 -37.4899 -9.66982 TIMING: 2804600 CPU: 8759.44, 0.00311601/step Wall: 8759.44, 0.00311601/step, 1.90024 hours remaining, 234.968750 MB of memory in use. ENERGY: 2804600 4054.6553 20494.2762 14348.8531 238.8176 -203625.4073 2844.0653 0.0000 0.0000 52008.5921 -109636.1476 298.8941 -161644.7397 -109276.1042 298.5994 98.7343 121.6840 762501.0614 -11.4931 -11.4110 PRESSURE: 2804800 -393.566 -36.1394 -38.4322 -36.1398 -274.718 94.3494 -38.4313 94.3509 89.5253 GPRESSURE: 2804800 -402.602 -6.01515 54.3717 62.9429 -133.68 175.408 -107.892 129.587 34.3495 PRESSAVG: 2804800 -5.30337 -38.1271 -3.355 -38.1271 34.0121 -48.9798 -3.35495 -48.9798 27.6733 GPRESSAVG: 2804800 -4.11351 -36.4323 -2.99116 -36.2408 33.4873 -49.1247 -4.16343 -48.5313 26.9782 TIMING: 2804800 CPU: 8760.06, 0.00311762/step Wall: 8760.06, 0.00311762/step, 1.90105 hours remaining, 234.968750 MB of memory in use. ENERGY: 2804800 3966.0199 20714.2787 14411.6095 227.7145 -203209.7507 2350.0062 0.0000 0.0000 51815.1889 -109724.9330 297.7826 -161540.1218 -109363.2885 299.1630 -192.9196 -167.3109 762568.6497 18.7940 18.7840 PRESSURE: 2805000 -17.4202 -196.564 -53.5053 -196.564 246.218 -163.859 -53.5056 -163.86 -634.209 GPRESSURE: 2805000 10.5256 -229.382 -133.696 -222.144 228.982 -172.741 -61.6292 -93.0946 -582.384 PRESSAVG: 2805000 16.5058 -51.7828 39.1754 -51.7828 -33.0573 3.53752 39.1754 3.53753 -21.0054 GPRESSAVG: 2805000 15.7803 -54.7431 39.066 -49.4128 -32.6113 3.84572 38.2535 4.34776 -21.211 TIMING: 2805000 CPU: 8760.69, 0.00312027/step Wall: 8760.69, 0.00312027/step, 1.9025 hours remaining, 234.968750 MB of memory in use. ENERGY: 2805000 3974.6302 20514.1254 14438.4163 258.1149 -203765.4566 2760.3521 0.0000 0.0000 51959.4575 -109860.3602 298.6117 -161819.8176 -109502.3588 298.2654 -135.1370 -114.2919 761880.5524 -12.5190 -12.6807 PRESSURE: 2805200 0.757512 -55.5188 67.3828 -55.5188 93.4382 -40.3655 67.3829 -40.3651 -223.365 GPRESSURE: 2805200 -2.40848 -104.705 -41.8179 -136.962 142.406 7.4742 96.3293 -49.1398 -188.275 PRESSAVG: 2805200 -35.9524 -44.4714 -13.8387 -44.4713 23.836 -19.0011 -13.8387 -19.0012 -12.7662 GPRESSAVG: 2805200 -36.4454 -42.8856 -12.8163 -46.4781 23.5669 -17.318 -12.7569 -21.2267 -12.106 TIMING: 2805200 CPU: 8761.31, 0.00310496/step Wall: 8761.31, 0.00310496/step, 1.89299 hours remaining, 234.968750 MB of memory in use. ENERGY: 2805200 3978.7699 20528.7847 14426.1885 237.5478 -203698.3351 2625.7153 0.0000 0.0000 52170.5724 -109730.7566 299.8250 -161901.3290 -109371.6843 298.3224 -43.0565 -16.0924 761256.6788 -8.2942 -8.3282 PRESSURE: 2805400 -504.066 -278.53 -40.464 -278.53 -199.676 135.099 -40.4643 135.099 -137.084 GPRESSURE: 2805400 -459.949 -302.953 -81.5405 -313.608 -148.742 42.1397 37.8524 103.274 -136.38 PRESSAVG: 2805400 4.69392 -36.9382 2.25654 -36.9383 -8.96897 -7.63783 2.25654 -7.63776 2.30918 GPRESSAVG: 2805400 4.40321 -36.7487 1.63322 -38.3182 -7.39915 -9.65594 2.71037 -6.93493 1.36803 TIMING: 2805400 CPU: 8761.93, 0.00312754/step Wall: 8761.93, 0.00312754/step, 1.90658 hours remaining, 234.968750 MB of memory in use. ENERGY: 2805400 3899.7881 20443.2871 14414.7429 245.3683 -203005.0181 2215.6741 0.0000 0.0000 52189.6990 -109596.4586 299.9349 -161786.1577 -109231.1452 298.7356 -280.2753 -248.3573 760716.9401 -0.6553 -0.5426 PRESSURE: 2805600 -143.479 161.641 50.4715 161.641 -239.529 126.228 50.4722 126.228 -68.8608 GPRESSURE: 2805600 -188.839 121.857 69.1926 137.441 -182.863 60.1848 34.7681 112.759 9.52607 PRESSAVG: 2805600 35.3311 -14.1162 -11.9025 -14.1162 16.0618 16.3419 -11.9024 16.342 -5.70455 GPRESSAVG: 2805600 37.2613 -14.8333 -11.5811 -11.8384 13.978 17.9511 -11.6388 15.9547 -5.70448 TIMING: 2805600 CPU: 8762.56, 0.00313706/step Wall: 8762.56, 0.00313706/step, 1.91221 hours remaining, 234.968750 MB of memory in use. ENERGY: 2805600 3998.8472 20439.8508 14424.8450 245.9156 -203249.7513 2647.5432 0.0000 0.0000 52092.5545 -109400.1950 299.3766 -161492.7495 -109039.9406 298.8962 -150.6232 -120.7252 763052.1920 15.2295 15.1783 PRESSURE: 2805800 153.722 187.697 -5.49817 187.697 -283.8 57.0494 -5.49798 57.0513 -274.147 GPRESSURE: 2805800 48.4874 247.427 -6.97985 98.5187 -135.689 128.288 -83.7908 87.2797 -240.451 PRESSAVG: 2805800 -2.40172 13.1769 28.1475 13.177 -22.0612 27.8043 28.1475 27.8044 23.5013 GPRESSAVG: 2805800 -4.53937 15.246 28.9435 11.2754 -20.2161 27.7489 29.0865 27.8043 24.3447 TIMING: 2805800 CPU: 8763.19, 0.00312814/step Wall: 8763.19, 0.00312814/step, 1.9066 hours remaining, 234.968750 MB of memory in use. ENERGY: 2805800 3958.8830 20423.8095 14410.2209 246.1129 -203299.5224 2687.0631 0.0000 0.0000 51957.9033 -109615.5298 298.6028 -161573.4330 -109246.2615 298.3893 -134.7417 -109.2174 763380.8402 -0.3205 -0.1369 PRESSURE: 2806000 -11.2265 302.591 -82.8216 302.591 -55.2725 -54.5917 -82.822 -54.5916 -161.053 GPRESSURE: 2806000 53.8368 175.07 -81.2895 175.759 -54.1763 -7.40551 -128.813 -135.059 -159.176 PRESSAVG: 2806000 17.6527 -30.2698 -2.15873 -30.2698 -7.41128 42.7138 -2.15875 42.7139 -10.7404 GPRESSAVG: 2806000 19.4502 -31.2978 -3.49686 -30.508 -9.18221 42.9218 -4.64585 42.6375 -10.9207 TIMING: 2806000 CPU: 8763.81, 0.00313253/step Wall: 8763.81, 0.00313253/step, 1.9091 hours remaining, 234.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2806000 4072.0687 20624.3206 14428.3685 238.5054 -203217.6784 2595.6603 0.0000 0.0000 51762.0341 -109496.7209 297.4771 -161258.7550 -109146.3996 298.4939 -75.8507 -53.1717 762206.7621 -0.1663 -0.2176 PRESSURE: 2806200 -75.384 -210.707 -52.5519 -210.708 -12.7004 135.445 -52.5519 135.445 -124.85 GPRESSURE: 2806200 -155.341 -177.875 -27.3345 -73.0558 68.3846 212.21 76.4082 147.552 -45.7841 PRESSAVG: 2806200 -30.9407 -44.9887 -14.4181 -44.9887 13.6032 53.7844 -14.4181 53.7844 12.9568 GPRESSAVG: 2806200 -31.7829 -43.5504 -14.9549 -43.0958 14.2579 52.4929 -12.5372 53.8685 13.5066 TIMING: 2806200 CPU: 8764.44, 0.00313026/step Wall: 8764.44, 0.00313026/step, 1.90754 hours remaining, 234.968750 MB of memory in use. ENERGY: 2806200 4015.7574 20698.5740 14415.1875 232.2848 -203442.9097 2681.0887 0.0000 0.0000 52120.1962 -109279.8211 299.5355 -161400.0172 -108934.4552 298.7742 -70.9782 -44.2468 761757.1556 -1.4602 -1.3395 PRESSURE: 2806400 6.63864 210.496 21.0141 210.495 122.999 161.101 21.014 161.101 153.625 GPRESSURE: 2806400 52.8708 295.779 -34.8996 116.946 158.467 148.711 -108.397 221.121 154.161 PRESSAVG: 2806400 42.3729 11.3118 -12.6759 11.3118 -29.1525 73.8105 -12.6759 73.8105 20.7408 GPRESSAVG: 2806400 42.692 7.73504 -11.8486 12.8786 -30.2337 73.9459 -14.2047 73.9126 21.0447 TIMING: 2806400 CPU: 8765.06, 0.00312695/step Wall: 8765.06, 0.00312695/step, 1.90536 hours remaining, 234.968750 MB of memory in use. ENERGY: 2806400 4022.5486 20533.2030 14459.1893 257.7863 -203712.8248 2953.0960 0.0000 0.0000 52193.4484 -109293.5532 299.9565 -161487.0016 -108941.8755 299.1510 94.4207 121.8329 761171.4956 11.3204 11.1676 PRESSURE: 2806600 39.5755 -145.663 -54.477 -145.663 -24.7313 -93.0175 -54.4768 -93.0177 -7.53159 GPRESSURE: 2806600 107.527 -94.1495 -0.0868825 -208.892 -0.531986 -153.331 -46.1262 -69.9742 -22.7711 PRESSAVG: 2806600 38.0884 -39.0067 1.09759 -39.0067 -27.1487 29.8767 1.09758 29.8768 8.5098 GPRESSAVG: 2806600 38.1457 -37.2732 2.68954 -41.6498 -26.2773 28.7327 2.40972 31.5425 7.53086 TIMING: 2806600 CPU: 8765.7, 0.00316113/step Wall: 8765.7, 0.00316113/step, 1.926 hours remaining, 234.968750 MB of memory in use. ENERGY: 2806600 4034.6938 20570.4720 14389.4197 240.3358 -203325.8294 2716.7608 0.0000 0.0000 51926.4879 -109447.6594 298.4222 -161374.1473 -109094.9268 299.2399 2.4375 28.0745 760441.8647 6.4832 6.4664 PRESSURE: 2806800 -14.3725 -35.3094 89.108 -35.3091 239.325 -0.606763 89.109 -0.606322 -66.4258 GPRESSURE: 2806800 -8.34705 -94.7106 173.493 -172.533 272.967 81.4237 53.5554 -113.021 -4.38627 PRESSAVG: 2806800 13.7986 -17.7442 -12.7481 -17.7441 17.7841 27.6124 -12.7481 27.6126 -21.0436 GPRESSAVG: 2806800 13.1805 -18.0466 -12.7539 -17.787 17.9773 29.6015 -13.8669 26.1747 -21.009 TIMING: 2806800 CPU: 8766.33, 0.00314749/step Wall: 8766.33, 0.00314749/step, 1.91752 hours remaining, 234.968750 MB of memory in use. ENERGY: 2806800 3919.6254 20365.3637 14457.5725 259.6516 -203241.4806 2692.0150 0.0000 0.0000 52075.0352 -109472.2171 299.2759 -161547.2523 -109106.2876 299.4765 52.8423 86.7446 760276.1791 3.5131 3.3830 PRESSURE: 2807000 85.1036 -31.7416 -106.266 -31.7419 13.7328 58.98 -106.266 58.9801 -155.68 GPRESSURE: 2807000 152.183 25.5203 -132.18 -23.767 -47.8519 59.0479 -178.889 242.462 -53.4615 PRESSAVG: 2807000 60.7693 16.4367 48.9708 16.4367 -37.0822 16.2523 48.9708 16.2524 -3.54425 GPRESSAVG: 2807000 62.0932 17.6173 47.1423 14.9579 -37.4763 16.487 50.0279 15.5833 -3.95025 TIMING: 2807000 CPU: 8766.95, 0.00313026/step Wall: 8766.95, 0.00313026/step, 1.90685 hours remaining, 234.968750 MB of memory in use. ENERGY: 2807000 3967.3958 20596.2133 14433.4831 249.2871 -203380.8241 2656.2297 0.0000 0.0000 51956.5917 -109521.6233 298.5952 -161478.2150 -109158.3792 298.6329 -18.9479 16.9565 760222.2363 6.7143 6.8889 PRESSURE: 2807200 118.548 -74.4965 -152.527 -74.4972 235.855 281.35 -152.527 281.349 350.749 GPRESSURE: 2807200 137.561 -38.7604 -109.545 4.74416 286.105 293.747 18.5586 299.953 381.576 PRESSAVG: 2807200 -3.79672 13.9955 24.7469 13.9956 8.1627 53.9733 24.747 53.9733 -5.43266 GPRESSAVG: 2807200 -5.01519 14.071 24.4801 14.8921 8.24789 50.2961 23.5705 55.2209 -4.09664 TIMING: 2807200 CPU: 8767.57, 0.00310627/step Wall: 8767.57, 0.00310627/step, 1.89206 hours remaining, 234.968750 MB of memory in use. ENERGY: 2807200 4042.8925 20591.3526 14450.9505 254.0911 -203809.6974 2807.4829 0.0000 0.0000 52097.0030 -109565.9247 299.4022 -161662.9277 -109208.2200 298.8625 235.0506 268.4142 759468.5380 -0.3556 -0.2880 PRESSURE: 2807400 44.7171 -150.19 34.7127 -150.189 -199.015 213.951 34.713 213.95 -39.6035 GPRESSURE: 2807400 18.4469 -69.9608 -33.98 -41.8072 -70.9164 84.8014 213.688 259.411 -45.4224 PRESSAVG: 2807400 -33.9832 5.97214 11.5729 5.97219 55.5125 79.0153 11.5729 79.0154 -4.92279 GPRESSAVG: 2807400 -33.8032 5.84233 12.1562 5.7747 55.991 81.583 13.4688 78.8861 -5.78825 TIMING: 2807400 CPU: 8768.2, 0.0031138/step Wall: 8768.2, 0.0031138/step, 1.89648 hours remaining, 234.968750 MB of memory in use. ENERGY: 2807400 3937.1951 20380.0184 14507.0126 249.5512 -203391.0217 2700.4365 0.0000 0.0000 52168.3903 -109448.4176 299.8125 -161616.8079 -109078.0053 298.8854 -64.6339 -32.6306 760413.3789 5.5355 5.4665 PRESSURE: 2807600 -346.611 58.7263 -32.6081 58.7272 -264.875 155.432 -32.6081 155.433 23.8692 GPRESSURE: 2807600 -309.105 51.676 -93.7169 -77.6746 -200.363 129.963 -47.7451 116.094 22.0191 PRESSAVG: 2807600 -28.9182 5.05477 4.40281 5.05475 42.3615 13.098 4.40278 13.0979 -22.6946 GPRESSAVG: 2807600 -28.5441 7.84753 4.2311 4.73624 42.3381 12.3239 4.05799 14.277 -23.2323 TIMING: 2807600 CPU: 8768.82, 0.00311758/step Wall: 8768.82, 0.00311758/step, 1.89861 hours remaining, 234.968750 MB of memory in use. ENERGY: 2807600 3984.1665 20416.3314 14307.6324 250.8488 -203106.3463 2520.7669 0.0000 0.0000 52032.2816 -109594.3187 299.0302 -161626.6003 -109232.5685 298.8445 -195.8722 -162.4832 761126.8941 -3.0838 -3.1461 PRESSURE: 2807800 340.739 -20.1371 175.314 -20.137 226.137 21.9809 175.314 21.9797 -249.818 GPRESSURE: 2807800 352.77 -106.023 116.345 -57.606 300.653 60.2735 236.825 -50.7871 -224.279 PRESSAVG: 2807800 2.17341 -32.3288 23.9867 -32.3289 19.8687 -7.31531 23.9868 -7.31544 26.7029 GPRESSAVG: 2807800 2.60143 -34.5033 24.0295 -32.2855 18.3414 -5.34627 22.7969 -9.61619 28.0027 TIMING: 2807800 CPU: 8769.45, 0.00312984/step Wall: 8769.45, 0.00312984/step, 1.9059 hours remaining, 234.968750 MB of memory in use. ENERGY: 2807800 3985.4636 20547.3704 14409.8280 240.4154 -203351.3596 2592.2775 0.0000 0.0000 51913.6941 -109662.3106 298.3487 -161576.0047 -109312.7066 298.5330 105.6860 143.0479 760299.7532 16.2483 16.3152 PRESSURE: 2808000 14.7914 -62.1918 37.0853 -62.1912 -72.4926 67.4651 37.0854 67.465 322.563 GPRESSURE: 2808000 147.78 -23.4641 37.9201 65.2721 -49.3075 120.029 -63.3175 65.4664 271.916 PRESSAVG: 2808000 62.8614 -13.6679 -1.73254 -13.6679 -55.2296 36.1713 -1.73251 36.1713 -25.3611 GPRESSAVG: 2808000 63.3258 -13.1408 -2.06996 -13.7843 -54.6582 34.6348 -0.172896 36.9709 -26.2227 TIMING: 2808000 CPU: 8770.07, 0.00310338/step Wall: 8770.07, 0.00310338/step, 1.88961 hours remaining, 234.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2808000 3964.6765 20405.6049 14399.3884 223.4940 -203289.8752 2722.8598 0.0000 0.0000 51899.6611 -109674.1905 298.2681 -161573.8517 -109311.8250 298.5815 88.2872 123.4629 761063.6297 -5.9098 -5.8517 PRESSURE: 2808200 -186.871 -82.9357 106.187 -82.9372 -148.39 -58.8529 106.187 -58.8539 234.414 GPRESSURE: 2808200 -176.611 -161.547 153.361 -24.2085 -41.163 -137.894 139.668 -115.625 186.132 PRESSAVG: 2808200 -11.8452 -20.2103 45.6686 -20.2104 3.11131 17.046 45.6685 17.0459 -2.43654 GPRESSAVG: 2808200 -14.0311 -21.2867 45.8408 -18.0107 4.86218 17.6234 44.7106 17.8396 -2.57919 TIMING: 2808200 CPU: 8770.69, 0.00311631/step Wall: 8770.69, 0.00311631/step, 1.89731 hours remaining, 234.968750 MB of memory in use. ENERGY: 2808200 3902.6119 20587.5506 14393.3852 253.5710 -203154.9611 2698.1770 0.0000 0.0000 51741.4123 -109578.2531 297.3586 -161319.6654 -109216.9472 298.2454 -33.6157 -10.5472 762819.5696 -3.7235 -3.9160 LDB: ============= START OF LOAD BALANCING ============== 8783.17 LDB: ============== END OF LOAD BALANCING =============== 8783.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8783.17 LDB: ============= START OF LOAD BALANCING ============== 8783.48 LDB: Largest compute 7070 load 0.028876 is 14.8% of average load 0.195031 LDB: Average compute 0.004411 is 2.3% of average load 0.195031 LDB: TIME 8783.49 LOAD: AVG 0.195031 MAX 0.21497 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 8783.49 LOAD: AVG 0.195031 MAX 0.21497 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.258 MB LDB: TIME 8783.49 LOAD: AVG 0.195031 MAX 0.21497 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.258 MB LDB: ============== END OF LOAD BALANCING =============== 8783.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8783.49 PRESSURE: 2808400 -162.44 51.3638 -19.1817 51.3634 230.973 67.0669 -19.1815 67.0674 268.648 GPRESSURE: 2808400 -129.654 166.979 -96.6401 17.0582 231.346 40.4518 64.7452 -144.354 360.203 PRESSAVG: 2808400 -11.1079 -55.0575 24.817 -55.0575 11.1407 -32.3179 24.8169 -32.318 16.7439 GPRESSAVG: 2808400 -9.68308 -53.9517 26.5361 -56.5085 10.7523 -31.1905 23.1568 -31.3963 15.7986 TIMING: 2808400 CPU: 8771.33, 0.00319663/step Wall: 8771.33, 0.00319663/step, 1.94604 hours remaining, 234.253906 MB of memory in use. ENERGY: 2808400 3963.4558 20533.2097 14434.2305 258.4650 -203793.3333 2982.9261 0.0000 0.0000 52291.1726 -109329.8735 300.5181 -161621.0461 -108972.5885 299.0404 112.3941 153.9652 761374.0856 5.5922 5.6226 PRESSURE: 2808600 -259.487 -209.819 3.36761 -209.82 -280.656 171.634 3.36738 171.635 257.035 GPRESSURE: 2808600 -87.8417 -222.224 46.0949 -259.706 -326.64 312.393 -108.12 15.8484 195.837 PRESSAVG: 2808600 7.08971 -49.3398 46.1937 -49.3398 -4.13121 -6.78645 46.1937 -6.78641 15.0948 GPRESSAVG: 2808600 6.34463 -49.046 44.146 -47.3745 -4.63019 -7.0311 46.7669 -8.08532 16.5811 TIMING: 2808600 CPU: 8771.96, 0.00314065/step Wall: 8771.96, 0.00314065/step, 1.91178 hours remaining, 234.253906 MB of memory in use. ENERGY: 2808600 4026.8156 20730.6383 14414.6174 250.0693 -203072.3591 2526.5022 0.0000 0.0000 51956.1783 -109167.5381 298.5929 -161123.7164 -108800.7029 298.9802 -94.3691 -72.8814 762037.7297 6.0178 6.0985 PRESSURE: 2808800 38.4924 51.0571 -70.4831 51.0568 -215.914 52.7138 -70.4824 52.7134 346.85 GPRESSURE: 2808800 1.64251 6.50595 -69.1657 -21.5938 -149.953 182.82 -156.953 -10.4229 406.916 PRESSAVG: 2808800 -17.3765 -35.3232 -44.8025 -35.3232 3.71849 -6.49319 -44.8025 -6.49313 -13.7285 GPRESSAVG: 2808800 -17.3107 -38.1872 -44.5092 -34.7684 4.07706 -7.05567 -41.4865 -5.74169 -13.6632 TIMING: 2808800 CPU: 8772.58, 0.00312337/step Wall: 8772.58, 0.00312337/step, 1.90109 hours remaining, 234.253906 MB of memory in use. ENERGY: 2808800 3991.6392 20349.0006 14457.4170 236.2730 -202729.6314 2291.1819 0.0000 0.0000 52086.3462 -109317.7735 299.3409 -161404.1197 -108952.2757 299.2178 56.4762 86.2016 762776.3021 -9.1288 -8.9656 PRESSURE: 2809000 -229.968 46.8082 90.4345 46.8092 -18.6048 -253.299 90.4326 -253.298 164.797 GPRESSURE: 2809000 -204.935 71.4159 116.125 -2.64949 75.2435 -354.322 17.976 -146.258 138.457 PRESSAVG: 2809000 -10.8367 16.3148 30.7466 16.3148 8.33518 8.66874 30.7467 8.66877 16.9486 GPRESSAVG: 2809000 -11.4899 18.0381 30.6199 14.9292 8.98691 8.80182 27.2947 7.32084 17.1155 TIMING: 2809000 CPU: 8773.21, 0.00311942/step Wall: 8773.21, 0.00311942/step, 1.89852 hours remaining, 234.253906 MB of memory in use. ENERGY: 2809000 3954.4152 20621.8359 14450.3656 254.2409 -203277.7844 2646.0328 0.0000 0.0000 51912.1260 -109438.7679 298.3397 -161350.8940 -109075.5511 299.4632 -27.9253 2.9220 761908.8117 4.8157 4.8708 PRESSURE: 2809200 -293.471 71.069 -22.6796 71.0688 -413.944 -149.233 -22.6791 -149.233 118.553 GPRESSURE: 2809200 -172.725 -4.98151 31.9213 99.3075 -353.317 -95.2041 -6.85253 -120.069 24.072 PRESSAVG: 2809200 -43.2893 16.9962 45.9102 16.9962 44.291 -15.7523 45.9101 -15.7523 -1.51226 GPRESSAVG: 2809200 -41.5973 18.4759 46.5032 17.6747 43.056 -14.3515 47.3509 -16.3182 -1.76279 TIMING: 2809200 CPU: 8773.83, 0.00311529/step Wall: 8773.83, 0.00311529/step, 1.89583 hours remaining, 234.253906 MB of memory in use. ENERGY: 2809200 4048.4736 20436.5802 14444.6146 251.7925 -203147.8511 2444.9352 0.0000 0.0000 52095.4679 -109425.9870 299.3934 -161521.4550 -109074.8770 299.1682 -196.2873 -167.3235 763549.7346 -0.1702 -0.1014 PRESSURE: 2809400 4.77602 -214.235 -31.8872 -214.236 -281.613 -113.014 -31.8872 -113.014 -205.306 GPRESSURE: 2809400 56.6802 -263.768 31.9702 -261.651 -247.561 -189.043 120.195 -13.8031 -202.525 PRESSAVG: 2809400 14.4509 10.0171 -10.1943 10.0171 -62.9281 -1.58217 -10.1943 -1.5821 -17.4483 GPRESSAVG: 2809400 13.3499 7.74603 -10.3798 10.2788 -61.3581 -2.93132 -10.1259 -0.440395 -17.826 TIMING: 2809400 CPU: 8774.45, 0.00311616/step Wall: 8774.45, 0.00311616/step, 1.89618 hours remaining, 234.253906 MB of memory in use. ENERGY: 2809400 3984.7453 20565.7526 14381.6327 241.0847 -203202.1099 2520.0373 0.0000 0.0000 52217.1286 -109291.7287 300.0926 -161508.8573 -108923.5253 299.3486 -160.7144 -131.1354 762099.8696 -21.9752 -21.9447 PRESSURE: 2809600 212.191 10.4627 -115.36 10.4628 80.0392 119.576 -115.359 119.575 -116.638 GPRESSURE: 2809600 252.623 114.201 -115.921 -26.185 72.9314 172.074 -70.683 166.446 -61.0092 PRESSAVG: 2809600 48.8891 -6.8571 38.0705 -6.85711 -9.57601 22.2939 38.0705 22.2939 1.36824 GPRESSAVG: 2809600 48.6651 -5.18189 36.1235 -7.44251 -10.1954 22.5687 40.3959 22.5965 2.49686 TIMING: 2809600 CPU: 8775.07, 0.00311359/step Wall: 8775.07, 0.0031136/step, 1.89445 hours remaining, 234.253906 MB of memory in use. ENERGY: 2809600 4080.0230 20472.1218 14446.6953 249.1905 -203412.7278 2799.0593 0.0000 0.0000 52308.1744 -109057.4634 300.6158 -161365.6378 -108693.8491 300.0326 58.5307 88.1816 760260.7191 13.5605 13.6555 PRESSURE: 2809800 -8.24069 -164.948 94.2092 -164.949 -16.204 -236.801 94.209 -236.8 -231.322 GPRESSURE: 2809800 -73.1987 -150.13 169.402 -140.142 30.3474 -275.751 -30.2213 -146.584 -128.502 PRESSAVG: 2809800 23.4156 -15.5141 27.9524 -15.514 -4.23748 9.78603 27.9523 9.78598 -3.92875 GPRESSAVG: 2809800 23.6142 -17.4361 29.2899 -14.9077 -4.36774 10.5126 25.9691 9.84053 -3.82688 TIMING: 2809800 CPU: 8775.7, 0.00312734/step Wall: 8775.7, 0.00312734/step, 1.90264 hours remaining, 234.253906 MB of memory in use. ENERGY: 2809800 4105.3548 20593.7359 14411.0923 228.8968 -203259.5043 2728.9346 0.0000 0.0000 52217.4167 -108974.0733 300.0942 -161191.4900 -108607.9201 300.2772 -85.2554 -57.1178 761508.9826 5.0831 5.1399 PRESSURE: 2810000 -142.879 -8.92332 112.845 -8.92341 -108.478 218.106 112.845 218.106 -314.763 GPRESSURE: 2810000 -90.0624 149.901 151.078 -15.473 -180.982 254.702 42.7548 232.309 -228.799 PRESSAVG: 2810000 -7.64515 -46.0463 11.1982 -46.0463 16.4263 -0.73329 11.1982 -0.733299 18.9817 GPRESSAVG: 2810000 -8.13149 -42.4217 10.1546 -47.8517 16.8645 -1.85504 10.994 -2.34721 18.4438 TIMING: 2810000 CPU: 8776.32, 0.00311858/step Wall: 8776.32, 0.00311858/step, 1.89714 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2810000 3996.8912 20764.1812 14429.7588 251.5312 -203125.3241 2632.1664 0.0000 0.0000 52000.2376 -109050.5576 298.8461 -161050.7952 -108690.1673 300.2683 -188.7068 -166.6144 761853.5485 9.2543 9.0589 PRESSURE: 2810200 -222.824 -124.257 34.9469 -124.257 -446.711 -15.089 34.9472 -15.0895 -357.302 GPRESSURE: 2810200 -140.406 -217.417 19.5703 -161.474 -457.015 -26.115 87.1718 -71.9421 -344.258 PRESSAVG: 2810200 3.00313 -44.8562 31.9747 -44.8562 37.9502 -16.8708 31.9747 -16.8707 2.80643 GPRESSAVG: 2810200 3.73451 -46.8152 32.1791 -46.5516 37.7554 -16.4168 32.5548 -14.7597 2.90691 TIMING: 2810200 CPU: 8776.95, 0.00313583/step Wall: 8776.95, 0.00313583/step, 1.90746 hours remaining, 234.253906 MB of memory in use. ENERGY: 2810200 4021.1164 20567.9483 14392.2881 236.0412 -202853.1525 2168.8036 0.0000 0.0000 52305.1970 -109161.7579 300.5987 -161466.9549 -108799.4817 299.7944 -342.2791 -313.8930 762089.5099 14.5866 14.7989 PRESSURE: 2810400 -357.047 249.36 53.9853 249.36 -235.995 -95.9399 53.9861 -95.9413 -140.927 GPRESSURE: 2810400 -304.235 232.743 96.6417 206.271 -174.78 -32.1133 7.78386 -82.3203 -168.083 PRESSAVG: 2810400 -15.8416 -15.478 23.0235 -15.478 34.1093 -15.2819 23.0235 -15.2819 -7.89162 GPRESSAVG: 2810400 -17.1451 -17.19 23.8867 -12.8248 35.141 -14.9778 23.2496 -16.9896 -8.00339 TIMING: 2810400 CPU: 8777.58, 0.00312358/step Wall: 8777.58, 0.00312358/step, 1.89983 hours remaining, 234.253906 MB of memory in use. ENERGY: 2810400 4036.8596 20588.0782 14444.2356 278.9432 -203229.2466 2382.7793 0.0000 0.0000 52512.5261 -108985.8245 301.7902 -161498.3507 -108619.4088 300.3491 -244.6564 -215.6991 759857.7750 3.4587 3.3309 PRESSURE: 2810600 -16.9727 104.014 135.518 104.014 49.3594 -215.822 135.518 -215.823 263.703 GPRESSURE: 2810600 52.6939 157.128 103.347 60.6114 128.111 -210.707 108.407 -140.68 201.389 PRESSAVG: 2810600 -21.16 -37.0436 18.3907 -37.0436 46.6823 -25.8463 18.3907 -25.8464 -1.28357 GPRESSAVG: 2810600 -21.2213 -36.2278 15.3785 -37.1186 47.4482 -28.127 19.4206 -21.6485 -1.84685 TIMING: 2810600 CPU: 8778.2, 0.00311602/step Wall: 8778.2, 0.00311602/step, 1.89506 hours remaining, 234.253906 MB of memory in use. ENERGY: 2810600 3928.3447 20700.0896 14334.4515 257.1782 -203453.3115 2688.3223 0.0000 0.0000 52130.5482 -109414.3770 299.5950 -161544.9253 -109047.4533 300.2351 98.6965 127.3980 761679.3558 8.0796 8.1267 PRESSURE: 2810800 -148.403 60.4119 104.733 60.4123 37.8414 48.7658 104.733 48.7662 13.9364 GPRESSURE: 2810800 -80.0382 88.5447 -15.0768 115.608 8.44432 -16.0613 152.926 -11.9335 54.8339 PRESSAVG: 2810800 -1.18108 -28.2356 66.1155 -28.2356 12.4407 -37.0424 66.1155 -37.0423 -4.18539 GPRESSAVG: 2810800 -0.349378 -26.3689 68.184 -30.2276 10.5584 -35.2597 65.5781 -38.5154 -3.38865 TIMING: 2810800 CPU: 8778.82, 0.00312494/step Wall: 8778.82, 0.00312494/step, 1.90031 hours remaining, 234.253906 MB of memory in use. ENERGY: 2810800 3952.7157 20525.5286 14495.3751 235.0616 -203424.6822 2688.4566 0.0000 0.0000 52169.2920 -109358.2525 299.8176 -161527.5445 -108993.8779 298.9707 -32.2084 -5.5866 762991.7005 2.3581 2.2735 PRESSURE: 2811000 282.948 41.2238 73.7247 41.2239 -5.34131 21.1562 73.7255 21.1562 -203.235 GPRESSURE: 2811000 329.112 16.9416 87.6801 130.053 36.412 7.81131 -9.71993 -125.408 -198.225 PRESSAVG: 2811000 -7.42314 -4.41522 45.6665 -4.41517 24.8867 32.2101 45.6665 32.2102 -23.5814 GPRESSAVG: 2811000 -8.01946 -7.08616 45.2211 -2.41404 25.2561 31.8648 46.4248 29.3955 -23.879 TIMING: 2811000 CPU: 8779.45, 0.0031243/step Wall: 8779.45, 0.0031243/step, 1.89975 hours remaining, 234.253906 MB of memory in use. ENERGY: 2811000 3999.3497 20726.0331 14372.1509 258.6926 -203472.0135 2695.3599 0.0000 0.0000 52158.7477 -109261.6796 299.7570 -161420.4273 -108892.5461 299.1475 24.7905 55.7663 761901.8180 -2.0393 -2.2141 PRESSURE: 2811200 163.384 -185.886 -211.373 -185.885 169.113 -163.481 -211.373 -163.482 48.6811 GPRESSURE: 2811200 166.863 -117.035 -160.855 -153.379 190.788 -84.0213 -180.106 -7.24922 123.033 PRESSAVG: 2811200 -76.3124 -44.789 59.8015 -44.7889 75.3947 -63.0221 59.8015 -63.0221 12.3408 GPRESSAVG: 2811200 -75.2865 -42.4896 60.0041 -44.7307 73.6542 -61.9244 57.2081 -60.3281 13.0131 TIMING: 2811200 CPU: 8780.08, 0.00313691/step Wall: 8780.08, 0.00313691/step, 1.90724 hours remaining, 234.253906 MB of memory in use. ENERGY: 2811200 3987.9777 20642.2568 14453.4203 259.0546 -203250.5044 2616.7445 0.0000 0.0000 51973.6061 -109317.4443 298.6930 -161291.0504 -108959.8755 299.6276 127.0594 160.2280 761493.2741 3.8077 3.7936 PRESSURE: 2811400 -286.724 -97.7632 12.2256 -97.7632 -417.193 58.7497 12.2256 58.7497 -333.589 GPRESSURE: 2811400 -238.818 -132.569 31.2191 -228.882 -351.536 68.3872 -19.9738 22.8638 -355.2 PRESSAVG: 2811400 -0.953848 -23.1514 8.13211 -23.1514 -21.1585 5.83674 8.1321 5.8367 -3.04867 GPRESSAVG: 2811400 -1.78707 -24.8483 7.50631 -22.1639 -19.5885 5.87609 12.3051 4.98656 -3.56173 TIMING: 2811400 CPU: 8780.7, 0.00313638/step Wall: 8780.7, 0.00313638/step, 1.90674 hours remaining, 234.253906 MB of memory in use. ENERGY: 2811400 4055.4097 20564.8022 14462.1023 255.9655 -203093.3446 2352.0379 0.0000 0.0000 51863.9494 -109539.0776 298.0628 -161403.0270 -109174.4360 299.1971 -345.8350 -315.1847 762177.4383 -8.3870 -8.3124 PRESSURE: 2811600 326.793 -33.1228 -78.8093 -33.1221 219.974 204.996 -78.8098 204.995 169.118 GPRESSURE: 2811600 403.722 -132.882 -85.6341 -92.1143 150.389 225.461 50.9572 88.1474 257.264 PRESSAVG: 2811600 -7.59673 -24.6243 -34.3678 -24.6243 -5.15398 44.689 -34.3677 44.6889 1.50226 GPRESSAVG: 2811600 -7.00354 -24.2322 -32.541 -23.8035 -6.85 44.9095 -35.4067 42.4629 2.6059 TIMING: 2811600 CPU: 8781.33, 0.00311761/step Wall: 8781.33, 0.00311761/step, 1.89516 hours remaining, 234.253906 MB of memory in use. ENERGY: 2811600 3877.6268 20507.5905 14413.4709 227.9656 -203248.9360 2595.1237 0.0000 0.0000 52025.5385 -109601.6201 298.9915 -161627.1585 -109242.4366 298.5862 238.6282 270.4581 761207.6223 -3.7495 -3.7492 PRESSURE: 2811800 -250.142 28.9891 156.989 28.9884 9.50257 -78.6294 156.987 -78.6303 175.057 GPRESSURE: 2811800 -292.188 38.6808 131.927 57.7419 102.263 -32.457 -20.5678 -5.43809 218.275 PRESSAVG: 2811800 14.7395 -28.9574 -9.19916 -28.9574 6.16876 31.7433 -9.19915 31.7432 4.69422 GPRESSAVG: 2811800 14.3294 -28.6109 -10.1671 -31.8115 7.29832 30.3993 -11.4634 33.6378 3.83918 TIMING: 2811800 CPU: 8781.95, 0.00313239/step Wall: 8781.95, 0.00313239/step, 1.90397 hours remaining, 234.253906 MB of memory in use. ENERGY: 2811800 3922.1365 20293.8248 14408.4815 263.8316 -202847.3318 2360.6504 0.0000 0.0000 52040.7685 -109557.6384 299.0790 -161598.4070 -109186.9606 298.7530 -21.8606 9.4501 763042.3958 8.5342 8.4890 PRESSURE: 2812000 367.254 233.769 60.7347 233.769 188.722 -31.4877 60.7347 -31.4892 -43.6497 GPRESSURE: 2812000 414.018 165.195 22.7045 329.631 201.477 -2.98308 -7.64587 30.9541 -1.53847 PRESSAVG: 2812000 48.8046 -78.5085 31.6233 -78.5085 -42.2587 -9.76844 31.6233 -9.76846 -8.65789 GPRESSAVG: 2812000 49.2761 -78.0864 33.9405 -78.5511 -41.7726 -9.03231 29.3626 -10.4088 -9.7233 TIMING: 2812000 CPU: 8782.58, 0.00312992/step Wall: 8782.58, 0.00312992/step, 1.9023 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2812000 4035.3827 20689.1009 14405.8309 245.4311 -203525.9049 2771.3104 0.0000 0.0000 51828.1567 -109550.6921 297.8571 -161378.8488 -109204.6764 298.8389 170.7753 204.6524 760044.6607 -0.7040 -0.7399 PRESSURE: 2812200 -445.257 -128.662 17.1238 -128.662 -268.714 -118.467 17.1227 -118.467 -299.065 GPRESSURE: 2812200 -363.004 -35.6899 -63.4614 -75.5897 -261.278 -0.156237 105.599 26.8682 -309.372 PRESSAVG: 2812200 21.8789 -71.8065 18.6145 -71.8065 19.3792 17.68 18.6145 17.68 6.54535 GPRESSAVG: 2812200 20.347 -71.3929 16.1208 -70.1987 19.1789 17.0443 22.4295 16.8839 8.52838 TIMING: 2812200 CPU: 8783.2, 0.00312591/step Wall: 8783.2, 0.00312591/step, 1.89969 hours remaining, 234.253906 MB of memory in use. ENERGY: 2812200 3992.6520 20609.8230 14404.7991 234.5483 -203201.4135 2315.9068 0.0000 0.0000 52219.1848 -109424.4994 300.1044 -161643.6842 -109063.7808 299.2996 -337.6787 -311.2181 762118.7740 15.9345 16.0181 LDB: ============= START OF LOAD BALANCING ============== 8795.68 LDB: ============== END OF LOAD BALANCING =============== 8795.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8795.68 LDB: ============= START OF LOAD BALANCING ============== 8796 LDB: Largest compute 7070 load 0.029439 is 15.1% of average load 0.195063 LDB: Average compute 0.004397 is 2.3% of average load 0.195063 LDB: TIME 8796 LOAD: AVG 0.195063 MAX 0.214876 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 8796 LOAD: AVG 0.195063 MAX 0.214876 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.348 MB LDB: TIME 8796 LOAD: AVG 0.195063 MAX 0.214876 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.348 MB LDB: ============== END OF LOAD BALANCING =============== 8796 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8796.01 PRESSURE: 2812400 188.683 -242.765 -47.9958 -242.765 -220.229 -58.5963 -47.9964 -58.5959 -540.136 GPRESSURE: 2812400 120.517 -207.303 -139.46 -208.034 -213.316 -60.1484 52.9735 -126.788 -380.401 PRESSAVG: 2812400 -19.8142 -18.1209 37.5552 -18.1208 58.7301 47.112 37.5551 47.1121 -1.34159 GPRESSAVG: 2812400 -18.7433 -19.2467 37.732 -17.7229 58.0146 48.6857 36.3664 47.9452 -1.60371 TIMING: 2812400 CPU: 8783.84, 0.00318894/step Wall: 8783.84, 0.00318894/step, 1.93781 hours remaining, 234.253906 MB of memory in use. ENERGY: 2812400 4062.2579 20664.0479 14358.5097 251.3606 -203367.5046 2624.5988 0.0000 0.0000 51992.8014 -109413.9282 298.8033 -161406.7296 -109059.1262 299.1652 -190.5605 -157.7335 761840.7336 12.5248 12.5559 PRESSURE: 2812600 -180.926 -299.999 278.606 -299.998 205.774 -109.852 278.607 -109.853 -57.7499 GPRESSURE: 2812600 -64.8735 -296.912 248.291 -269.352 159.955 -77.5678 305.207 -78.1017 -59.4052 PRESSAVG: 2812600 -12.8787 -23.4457 20.539 -23.4457 13.7101 -34.6233 20.539 -34.6233 18.7138 GPRESSAVG: 2812600 -12.3701 -21.2963 21.5649 -25.2439 14.5241 -35.8678 19.8115 -33.361 17.2979 TIMING: 2812600 CPU: 8784.46, 0.00311074/step Wall: 8784.46, 0.00311074/step, 1.89012 hours remaining, 234.457031 MB of memory in use. ENERGY: 2812600 4078.0537 20617.7927 14448.7087 243.6142 -203687.5925 2688.7217 0.0000 0.0000 52189.8437 -109420.8578 299.9357 -161610.7015 -109064.2433 299.0504 -10.9674 11.8921 761745.9662 6.5151 6.4840 PRESSURE: 2812800 -308.034 -28.0897 255.747 -28.0897 -119.847 244.807 255.748 244.807 -348.76 GPRESSURE: 2812800 -212.32 15.7239 171.313 57.8504 -118.064 248.69 240.161 89.9758 -359.416 PRESSAVG: 2812800 -21.9454 -38.7118 0.319382 -38.7118 40.4788 -3.1961 0.319385 -3.19621 17.9545 GPRESSAVG: 2812800 -21.5588 -37.918 -1.59721 -36.9228 39.1996 -3.08331 0.974004 -4.18986 17.9108 TIMING: 2812800 CPU: 8785.09, 0.00311216/step Wall: 8785.09, 0.00311216/step, 1.89081 hours remaining, 234.457031 MB of memory in use. ENERGY: 2812800 4097.2698 20465.6674 14510.9042 237.3205 -202722.5994 2187.5007 0.0000 0.0000 52007.8530 -109216.0838 298.8898 -161223.9368 -108847.6536 299.2549 -258.8802 -229.9331 762729.0370 12.1626 11.8506 PRESSURE: 2813000 16.4321 -104.801 57.483 -104.801 -120.91 190.83 57.4822 190.831 -272.649 GPRESSURE: 2813000 43.1897 -142.717 113.778 -44.8864 -114.645 161.543 59.249 -6.59144 -214.63 PRESSAVG: 2813000 -12.149 -37.5065 3.86315 -37.5065 -15.7049 -15.1192 3.86311 -15.1193 0.957725 GPRESSAVG: 2813000 -13.7218 -37.6847 6.4879 -37.8222 -14.2942 -15.8043 3.39612 -16.047 1.08079 TIMING: 2813000 CPU: 8785.71, 0.00311008/step Wall: 8785.71, 0.00311008/step, 1.88938 hours remaining, 234.457031 MB of memory in use. ENERGY: 2813000 3929.9974 20557.5407 14399.1922 246.2922 -202928.4610 2411.0380 0.0000 0.0000 52236.6573 -109147.7431 300.2048 -161384.4004 -108767.0667 299.4238 -125.7091 -95.3617 763113.0984 -8.9654 -8.9784 PRESSURE: 2813200 -227.563 190.085 -116.733 190.086 -118.505 -40.6694 -116.733 -40.6689 -176.76 GPRESSURE: 2813200 -202.994 220.344 -179.62 249.519 -135.959 -107.145 -141.071 140.855 -99.1094 PRESSAVG: 2813200 -18.108 -32.8901 -24.477 -32.8901 -2.89781 5.27171 -24.477 5.27175 -3.30282 GPRESSAVG: 2813200 -16.82 -33.3101 -25.3478 -33.7082 -4.9041 5.27388 -23.0983 4.80462 -2.47614 TIMING: 2813200 CPU: 8786.33, 0.00312006/step Wall: 8786.33, 0.00312006/step, 1.89526 hours remaining, 234.457031 MB of memory in use. ENERGY: 2813200 4032.2620 20580.7316 14376.5969 242.2478 -202803.0087 2489.8068 0.0000 0.0000 52016.1140 -109065.2497 298.9373 -161081.3637 -108709.2609 300.0367 -174.2763 -146.0206 762403.6945 -8.1029 -8.0667 PRESSURE: 2813400 -272.452 -134.811 32.837 -134.811 -223.69 51.5618 32.8376 51.5627 -17.8326 GPRESSURE: 2813400 -189.02 -180.906 -21.1403 -157.441 -155.887 97.5492 12.0293 46.8898 -87.033 PRESSAVG: 2813400 -44.8818 -12.8788 23.4625 -12.8788 53.203 1.16501 23.4626 1.16503 0.830775 GPRESSAVG: 2813400 -44.4712 -16.3546 23.2123 -11.0761 53.8714 2.03597 21.974 2.97781 -0.164285 TIMING: 2813400 CPU: 8786.96, 0.00313238/step Wall: 8786.96, 0.00313238/step, 1.90257 hours remaining, 234.457031 MB of memory in use. ENERGY: 2813400 4075.4608 20550.9425 14384.8347 246.8798 -203014.7625 2628.0978 0.0000 0.0000 52208.2449 -108920.3020 300.0415 -161128.5468 -108555.4384 299.7773 -171.3247 -143.9800 763703.6043 3.0507 3.0787 PRESSURE: 2813600 291.58 -302.136 217.701 -302.136 47.4158 -108.292 217.702 -108.291 -346.662 GPRESSURE: 2813600 312.871 -157.732 161.816 -201.281 50.3751 -129.509 261.554 -270.519 -267.297 PRESSAVG: 2813600 -45.202 -74.2376 -9.68798 -74.2377 9.7648 26.4986 -9.68797 26.4987 -15.0223 GPRESSAVG: 2813600 -46.5264 -71.89 -10.9581 -73.213 10.9009 26.6393 -8.37941 25.7563 -14.7153 TIMING: 2813600 CPU: 8787.59, 0.0031383/step Wall: 8787.59, 0.0031383/step, 1.90599 hours remaining, 234.457031 MB of memory in use. ENERGY: 2813600 4002.0344 20470.0603 14390.5032 240.6141 -203226.4506 2756.8922 0.0000 0.0000 52352.4005 -109013.9458 300.8700 -161366.3463 -108643.4872 299.8583 -2.5555 31.9829 762773.4312 -16.8199 -16.7803 PRESSURE: 2813800 136.143 -116.991 37.8128 -116.99 -279.903 -77.4569 37.813 -77.4558 -200.978 GPRESSURE: 2813800 53.2846 26.7846 50.0456 -206.237 -178.882 -45.0161 -4.70872 24.9209 -130.59 PRESSAVG: 2813800 0.120169 -39.6397 48.4179 -39.6397 12.2729 -18.0892 48.4178 -18.0892 7.97833 GPRESSAVG: 2813800 0.886962 -39.9867 49.8809 -40.9552 10.7065 -19.8744 47.4096 -16.4724 8.38625 TIMING: 2813800 CPU: 8788.21, 0.00311165/step Wall: 8788.21, 0.00311165/step, 1.88964 hours remaining, 234.457031 MB of memory in use. ENERGY: 2813800 3995.9305 20830.3107 14345.6365 241.2261 -202974.0123 2655.4170 0.0000 0.0000 52163.8501 -108741.6414 299.7864 -160905.4916 -108377.2898 300.2660 -114.9126 -85.3961 763628.5815 6.7905 6.6599 PRESSURE: 2814000 238.864 124.709 -87.3173 124.71 126.262 96.8007 -87.318 96.7997 50.4032 GPRESSURE: 2814000 246.81 147.838 -124.143 298.789 169.454 50.1105 -16.3639 28.0067 99.6613 PRESSAVG: 2814000 70.8983 -26.5925 -31.8703 -26.5925 -73.5304 -26.9319 -31.8703 -26.932 9.22503 GPRESSAVG: 2814000 70.524 -25.7597 -32.3751 -25.1464 -72.6897 -25.9615 -32.3866 -28.8728 8.64575 TIMING: 2814000 CPU: 8788.83, 0.00312683/step Wall: 8788.83, 0.00312683/step, 1.89868 hours remaining, 234.457031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2814000 3965.7332 20473.9479 14379.0933 240.1642 -202984.3384 2567.0068 0.0000 0.0000 52377.5382 -108980.8549 301.0144 -161358.3930 -108609.5083 300.2565 138.5096 171.9751 761631.0904 2.1976 2.1600 PRESSURE: 2814200 -195.586 10.2427 159.852 10.2441 -170.357 -115.96 159.852 -115.959 150.717 GPRESSURE: 2814200 -217.716 41.0015 124.929 -64.7373 -189.125 -130.753 38.3206 -147.372 249.871 PRESSAVG: 2814200 4.42285 16.7811 -39.695 16.781 -28.27 -27.5645 -39.695 -27.5645 -21.3943 GPRESSAVG: 2814200 5.82971 16.9691 -38.5953 16.5984 -29.2497 -26.3538 -37.9296 -27.3385 -21.3211 TIMING: 2814200 CPU: 8789.46, 0.00312817/step Wall: 8789.46, 0.00312817/step, 1.89932 hours remaining, 234.457031 MB of memory in use. ENERGY: 2814200 3976.5365 20524.1621 14424.0313 260.4181 -202590.8767 2312.2415 0.0000 0.0000 52281.5152 -108811.9720 300.4626 -161093.4872 -108447.4733 300.1354 -71.7420 -52.3230 761790.5506 -15.0805 -14.9137 PRESSURE: 2814400 45.8705 201.581 -21.7596 201.581 -262.343 -74.9017 -21.7599 -74.9007 -187.769 GPRESSURE: 2814400 -27.1743 116.605 -59.3528 92.6061 -181.655 -157.184 -68.4313 -184.162 -103.041 PRESSAVG: 2814400 -43.2477 -14.3248 51.9033 -14.3247 12.1503 -35.5545 51.9032 -35.5544 15.948 GPRESSAVG: 2814400 -45.2862 -14.8328 51.0454 -16.9278 13.2536 -36.0527 49.7803 -35.4625 16.5891 TIMING: 2814400 CPU: 8790.08, 0.00311301/step Wall: 8790.08, 0.00311301/step, 1.88994 hours remaining, 234.457031 MB of memory in use. ENERGY: 2814400 4068.5558 20517.9597 14447.7996 250.4468 -202769.3989 2430.0807 0.0000 0.0000 52298.3664 -108756.1898 300.5594 -161054.5562 -108400.2920 300.1863 -134.7471 -103.9567 760806.6682 -5.0498 -5.1478 PRESSURE: 2814600 -2.363 57.3919 81.162 57.3915 -114.159 -110.595 81.162 -110.593 -306.638 GPRESSURE: 2814600 -2.9197 146.98 176.978 36.3697 -51.697 -59.9554 76.3424 -69.2425 -265.056 PRESSAVG: 2814600 -54.1212 2.71095 56.1749 2.71094 11.49 -1.43474 56.175 -1.4348 -6.95775 GPRESSAVG: 2814600 -52.7964 2.83527 56.1583 2.96178 11.8299 -0.789241 58.0865 -1.74721 -8.60224 TIMING: 2814600 CPU: 8790.71, 0.00311909/step Wall: 8790.71, 0.00311909/step, 1.89346 hours remaining, 234.457031 MB of memory in use. ENERGY: 2814600 4057.5798 20712.7745 14379.4253 235.0506 -202916.3026 2702.6843 0.0000 0.0000 51866.5584 -108962.2298 298.0778 -160828.7881 -108601.4395 299.8866 -141.0533 -106.5575 761668.6302 -16.5297 -16.5229 PRESSURE: 2814800 -282.057 -60.2481 86.8654 -60.2472 -187.737 122.476 86.8655 122.477 -303.216 GPRESSURE: 2814800 -357.015 -101.451 124.229 -32.0444 -57.5357 97.3123 -62.1581 188.373 -269.891 PRESSAVG: 2814800 42.4691 4.64046 8.49056 4.6405 -44.994 17.2507 8.49058 17.2507 -0.00478293 GPRESSAVG: 2814800 41.9052 4.60454 8.49099 5.31291 -45.7102 15.2898 7.07533 18.7718 1.24828 TIMING: 2814800 CPU: 8791.33, 0.00310919/step Wall: 8791.33, 0.00310919/step, 1.88728 hours remaining, 234.457031 MB of memory in use. ENERGY: 2814800 3974.8048 20471.5810 14417.7259 252.8412 -202526.0927 2164.8042 0.0000 0.0000 52200.3728 -109043.9629 299.9963 -161244.3356 -108686.5991 299.8969 -257.6702 -228.1469 763597.6683 -0.8432 -0.8522 PRESSURE: 2815000 47 -22.9922 -194.441 -22.9928 -131.372 18.5467 -194.441 18.547 -219.97 GPRESSURE: 2815000 93.6314 -68.845 -217.213 29.5608 -135.151 30.0499 -81.7003 109.066 -164.126 PRESSAVG: 2815000 17.45 9.03905 12.2913 9.03906 -68.7335 27.6306 12.2913 27.6306 23.1481 GPRESSAVG: 2815000 16.3235 7.29832 11.736 8.9326 -67.2934 28.6844 13.4017 26.0811 23.2744 TIMING: 2815000 CPU: 8791.95, 0.00311744/step Wall: 8791.95, 0.00311744/step, 1.89211 hours remaining, 234.457031 MB of memory in use. ENERGY: 2815000 3949.3538 20238.4327 14463.3711 264.4507 -203107.1563 2494.4615 0.0000 0.0000 52447.6911 -109249.3955 301.4176 -161697.0866 -108881.7956 299.4214 -101.4473 -68.5486 761301.1251 -9.3785 -9.2318 PRESSURE: 2815200 72.6949 -38.2172 -31.5212 -38.2177 -184.748 166.133 -31.5206 166.133 -134.863 GPRESSURE: 2815200 167.923 -62.7931 -21.2505 25.7148 -196.026 92.5365 -31.5215 202.956 -129.85 PRESSAVG: 2815200 33.7695 -45.9308 18.2633 -45.9308 -18.583 -21.4399 18.2633 -21.4399 -3.57429 GPRESSAVG: 2815200 35.5696 -45.6345 17.4687 -46.104 -19.7137 -21.6283 19.5246 -19.8815 -3.94131 TIMING: 2815200 CPU: 8792.58, 0.00312146/step Wall: 8792.58, 0.00312146/step, 1.89438 hours remaining, 234.457031 MB of memory in use. ENERGY: 2815200 3949.7921 20440.8615 14385.4596 242.7624 -202984.0768 2512.0160 0.0000 0.0000 52086.6680 -109366.5172 299.3428 -161453.1852 -108997.0490 298.9664 -82.3056 -52.6510 761053.0797 3.8707 3.9715 PRESSURE: 2815400 250.872 -43.1366 18.7943 -43.1368 333.366 -119.636 18.7942 -119.637 4.88813 GPRESSURE: 2815400 291.866 -103.59 -42.3729 98.7617 381.887 -158.532 142.455 -53.0988 -10.7214 PRESSAVG: 2815400 -8.75397 13.666 37.7825 13.666 28.4028 -29.4481 37.7825 -29.4481 -5.40634 GPRESSAVG: 2815400 -7.29964 16.008 37.6775 14.0597 27.9793 -30.3794 38.2082 -27.6324 -6.61759 TIMING: 2815400 CPU: 8793.2, 0.00312837/step Wall: 8793.2, 0.00312837/step, 1.8984 hours remaining, 234.457031 MB of memory in use. ENERGY: 2815400 3958.7037 20652.6557 14500.2707 248.8787 -203708.7702 2947.0950 0.0000 0.0000 52268.6084 -109132.5581 300.3884 -161401.1665 -108771.1186 299.4020 196.3754 221.0106 760737.0934 4.7475 4.6874 PRESSURE: 2815600 57.0703 -281.186 37.7107 -281.185 -0.567152 103.933 37.7111 103.932 208.843 GPRESSURE: 2815600 81.3561 -183.775 32.6952 -278.8 126.134 94.1456 71.2794 47.8434 137.619 PRESSAVG: 2815600 24.539 -13.0675 -12.1134 -13.0675 20.8655 -3.39776 -12.1134 -3.39778 7.65543 GPRESSAVG: 2815600 21.9221 -12.7018 -11.9001 -13.1101 22.5766 -1.33498 -12.2205 -6.00316 9.12917 TIMING: 2815600 CPU: 8793.83, 0.00313311/step Wall: 8793.83, 0.00313311/step, 1.9011 hours remaining, 234.457031 MB of memory in use. ENERGY: 2815600 4014.6016 20408.0200 14486.5469 257.1293 -203141.2777 2805.1173 0.0000 0.0000 52144.7274 -109025.1352 299.6765 -161169.8626 -108658.0500 300.1130 88.4488 115.0364 761693.7637 17.6866 17.8760 PRESSURE: 2815800 354.578 267.139 14.3196 267.139 -160.332 28.6469 14.3196 28.647 400.559 GPRESSURE: 2815800 298.966 312.449 135.66 362.972 -45.0388 4.2391 11.5889 -50.2913 418.506 PRESSAVG: 2815800 41.0064 -7.15182 20.1117 -7.15181 -14.7025 0.721687 20.1117 0.721695 -4.70367 GPRESSAVG: 2815800 40.6878 -7.33938 19.5897 -7.59447 -15.3759 1.00903 17.5475 1.07639 -3.91525 TIMING: 2815800 CPU: 8794.45, 0.00312371/step Wall: 8794.45, 0.00312371/step, 1.89523 hours remaining, 234.457031 MB of memory in use. ENERGY: 2815800 3966.3057 20548.3787 14362.5163 243.3544 -203153.5683 2729.1852 0.0000 0.0000 52253.8861 -109049.9419 300.3038 -161303.8280 -108673.3392 299.8561 198.2686 224.1442 761935.8411 7.2001 7.1322 PRESSURE: 2816000 -176.877 -138.219 65.5537 -138.22 -19.0225 -12.9972 65.554 -12.9967 -219.91 GPRESSURE: 2816000 -108.142 -134.557 120.378 -149.488 2.30378 23.6612 -35.6704 -175.055 -209.215 PRESSAVG: 2816000 -17.3426 -18.7115 9.89842 -18.7116 12.6481 -41.3798 9.89838 -41.3798 -3.5522 GPRESSAVG: 2816000 -15.4192 -18.414 10.6226 -18.7401 12.0597 -42.1241 10.9612 -43.1442 -4.82805 TIMING: 2816000 CPU: 8795.08, 0.00311365/step Wall: 8795.08, 0.00311365/step, 1.88895 hours remaining, 234.457031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2816000 4011.2766 20509.3219 14466.6563 254.0993 -203191.0950 2528.3230 0.0000 0.0000 52261.9374 -109159.4804 300.3501 -161421.4178 -108797.8037 299.8016 -138.6030 -105.0177 760748.9014 -2.7489 -2.7292 PRESSURE: 2816200 -32.9781 -202.494 -208.306 -202.494 63.8533 95.8763 -208.306 95.8767 454.719 GPRESSURE: 2816200 103.446 -191.846 -218.87 -225.092 62.0814 84.6986 43.8064 95.7903 424.085 PRESSAVG: 2816200 -40.285 -13.7886 49.8753 -13.7886 36.5939 31.7986 49.8753 31.7985 -9.40551 GPRESSAVG: 2816200 -40.9718 -14.0784 50.5838 -15.261 35.9864 30.3754 50.289 34.0806 -8.55059 TIMING: 2816200 CPU: 8795.7, 0.00310745/step Wall: 8795.7, 0.00310745/step, 1.88501 hours remaining, 234.457031 MB of memory in use. ENERGY: 2816200 3988.4864 20610.0023 14480.0469 236.6566 -203459.9776 2776.7178 0.0000 0.0000 52123.0306 -109245.0371 299.5518 -161368.0677 -108876.8895 300.0788 161.8648 196.5375 760304.9769 -4.3656 -4.5120 LDB: ============= START OF LOAD BALANCING ============== 8808.18 LDB: ============== END OF LOAD BALANCING =============== 8808.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8808.18 LDB: ============= START OF LOAD BALANCING ============== 8808.49 LDB: Largest compute 7070 load 0.029027 is 14.9% of average load 0.195088 LDB: Average compute 0.004408 is 2.3% of average load 0.195088 LDB: TIME 8808.49 LOAD: AVG 0.195088 MAX 0.217407 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 8808.49 LOAD: AVG 0.195088 MAX 0.217407 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: TIME 8808.49 LOAD: AVG 0.195088 MAX 0.217407 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: ============== END OF LOAD BALANCING =============== 8808.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8808.5 PRESSURE: 2816400 91.7756 287.498 -1.02409 287.498 35.7977 -165.627 -1.02443 -165.628 185.515 GPRESSURE: 2816400 150.543 342.136 117.727 307.906 107.844 -241.646 -107.94 -21.3142 142.846 PRESSAVG: 2816400 31.4219 -22.5581 27.7006 -22.5582 9.59452 33.0499 27.7006 33.0498 1.15813 GPRESSAVG: 2816400 30.3989 -21.9045 28.394 -21.1285 11.2218 35.2762 27.7917 32.4688 0.21055 TIMING: 2816400 CPU: 8796.33, 0.00318714/step Wall: 8796.33, 0.00318714/step, 1.93317 hours remaining, 234.253906 MB of memory in use. ENERGY: 2816400 4030.4803 20739.8322 14462.4253 245.9450 -203397.4727 2759.1658 0.0000 0.0000 52132.9494 -109026.6748 299.6088 -161159.6242 -108665.2133 300.2676 104.3628 133.7445 761430.7690 14.0582 13.9438 PRESSURE: 2816600 115.11 -134.853 14.2662 -134.853 -125.616 44.3133 14.2669 44.3131 -160.946 GPRESSURE: 2816600 159.125 -169.418 -46.4806 -232.591 -91.6649 164.302 -128.207 89.3685 -160.693 PRESSAVG: 2816600 50.2563 26.0313 31.969 26.0314 -26.5454 -38.174 31.9689 -38.1741 -31.0917 GPRESSAVG: 2816600 50.3357 23.0962 30.9146 25.4821 -27.5739 -39.1512 29.4618 -38.6435 -29.5514 TIMING: 2816600 CPU: 8796.96, 0.00310319/step Wall: 8796.96, 0.00310319/step, 1.88208 hours remaining, 234.457031 MB of memory in use. ENERGY: 2816600 4047.0229 20749.2876 14377.2749 248.5245 -203839.9286 2875.2344 0.0000 0.0000 52350.6695 -109191.9148 300.8600 -161542.5844 -108831.1746 300.2464 -57.1505 -31.0778 762176.2314 -2.4603 -2.2632 PRESSURE: 2816800 380.571 -139.275 -22.1636 -139.275 250.149 -158.98 -22.1629 -158.98 72.5945 GPRESSURE: 2816800 411.003 -36.4157 21.9891 -153.428 252.182 -149.002 21.8371 -157.374 135.725 PRESSAVG: 2816800 45.2567 -25.3837 -66.6127 -25.3837 -21.1377 -99.4196 -66.6127 -99.4196 7.34022 GPRESSAVG: 2816800 45.5988 -23.4403 -67.4588 -27.1261 -20.2558 -97.9914 -63.0658 -99.8301 6.30295 TIMING: 2816800 CPU: 8797.58, 0.00311361/step Wall: 8797.58, 0.00311361/step, 1.88823 hours remaining, 234.457031 MB of memory in use. ENERGY: 2816800 4067.3010 20597.3006 14539.3332 247.6126 -203800.6752 2908.7317 0.0000 0.0000 52047.2538 -109393.1424 299.1163 -161440.3963 -109036.1157 300.4654 234.4379 266.3033 760125.4242 10.4864 10.5487 PRESSURE: 2817000 -50.0101 151.695 114.964 151.695 63.0798 68.9049 114.964 68.9042 -280.89 GPRESSURE: 2817000 -33.792 45.6933 147.973 198.053 70.2057 10.854 14.747 118.058 -210.502 PRESSAVG: 2817000 22.5206 -10.9586 25.403 -10.9586 -18.5601 18.2462 25.403 18.2462 8.46866 GPRESSAVG: 2817000 22.787 -12.7208 26.5695 -9.01174 -18.5655 16.6631 23.4034 20.4711 7.96397 TIMING: 2817000 CPU: 8798.2, 0.00312012/step Wall: 8798.2, 0.00312012/step, 1.89201 hours remaining, 234.457031 MB of memory in use. ENERGY: 2817000 3909.0615 20537.0933 14405.1358 264.9340 -203146.5917 2461.5622 0.0000 0.0000 52144.8932 -109423.9117 299.6774 -161568.8050 -109063.2493 300.0407 -89.2733 -58.0293 762117.3290 4.1431 4.0618 PRESSURE: 2817200 237.193 -268.328 29.5317 -268.328 356.885 -149.681 29.531 -149.681 -294.567 GPRESSURE: 2817200 333.114 -241.957 45.2183 -161.832 284.519 -213.345 18.4603 -335.571 -242.547 PRESSAVG: 2817200 45.727 -7.42989 9.76113 -7.4299 0.996025 12.815 9.76115 12.8149 6.30956 GPRESSAVG: 2817200 44.479 -6.32984 9.18189 -7.72976 -0.802486 12.3121 10.3932 9.46881 9.13645 TIMING: 2817200 CPU: 8798.82, 0.00311032/step Wall: 8798.82, 0.00311032/step, 1.88589 hours remaining, 234.457031 MB of memory in use. ENERGY: 2817200 3986.4599 20570.4253 14492.6336 250.4089 -203616.4457 2800.0288 0.0000 0.0000 52111.3515 -109405.1377 299.4847 -161516.4892 -109039.7145 299.3926 99.8372 125.0287 762105.0795 17.6775 17.6043 PRESSURE: 2817400 214.066 -93.1805 -35.0949 -93.1806 362.329 54.6812 -35.0959 54.6802 -207.92 GPRESSURE: 2817400 268.063 -159.047 -93.6732 -87.1311 347.371 37.9469 -12.9079 76.8098 -159.061 PRESSAVG: 2817400 23.6095 -51.6202 39.688 -51.6202 -11.4161 8.21693 39.688 8.21692 -0.978031 GPRESSAVG: 2817400 24.5515 -50.4844 39.8733 -50.7613 -11.0857 7.93838 39.1522 9.44975 -2.26444 TIMING: 2817400 CPU: 8799.45, 0.0031279/step Wall: 8799.45, 0.0031279/step, 1.89637 hours remaining, 234.457031 MB of memory in use. ENERGY: 2817400 3936.6763 20588.7872 14354.2202 245.0697 -203494.0527 3025.0303 0.0000 0.0000 52127.3093 -109216.9597 299.5764 -161344.2690 -108850.2111 299.6542 122.8251 152.1242 761996.0377 3.7385 3.7338 PRESSURE: 2817600 -45.8081 36.2166 -29.3207 36.2168 -255.215 230.068 -29.3208 230.067 180.507 GPRESSURE: 2817600 -46.7958 72.0309 -98.071 38.6867 -152.093 289.51 -116.538 231.747 172.641 PRESSAVG: 2817600 -11.6311 -20.5903 -3.3223 -20.5903 -23.5251 17.5588 -3.32234 17.5587 18.5655 GPRESSAVG: 2817600 -12.5893 -21.3621 -4.205 -23.1444 -22.5481 19.8175 -3.99536 18.3458 18.5974 TIMING: 2817600 CPU: 8800.08, 0.0031328/step Wall: 8800.08, 0.0031328/step, 1.89917 hours remaining, 234.457031 MB of memory in use. ENERGY: 2817600 3978.8399 20506.2222 14405.9253 256.1710 -203269.3767 2892.3650 0.0000 0.0000 52149.9923 -109079.8610 299.7067 -161229.8534 -108714.2835 299.5852 -40.1721 -8.7493 763191.2545 -5.5303 -5.5133 PRESSURE: 2817800 -157.678 -74.2993 188.635 -74.3 21.8118 -124.457 188.635 -124.457 20.8295 GPRESSURE: 2817800 -69.3457 -64.3966 164.092 -110.737 -28.8534 -125.845 139.061 -237.326 62.7056 PRESSAVG: 2817800 48.4708 42.3239 -44.5168 42.3238 2.02826 51.3967 -44.5168 51.3967 -18.2132 GPRESSAVG: 2817800 48.952 40.5527 -45.0289 45.2241 1.45635 50.6159 -42.9337 50.6742 -18.7334 TIMING: 2817800 CPU: 8800.7, 0.00312909/step Wall: 8800.7, 0.00312909/step, 1.89675 hours remaining, 234.457031 MB of memory in use. ENERGY: 2817800 4045.5141 20556.8614 14369.7286 246.3053 -203222.4479 2719.3810 0.0000 0.0000 52234.8878 -109049.7697 300.1946 -161284.6575 -108684.5519 300.1418 -38.3457 -11.8312 763742.0444 10.7619 10.5583 PRESSURE: 2818000 121.993 -120.672 109.205 -120.672 141.432 233.118 109.206 233.118 77.5412 GPRESSURE: 2818000 181.38 -7.66553 102.31 -90.5644 97.8752 231.326 219.017 252.753 145.143 PRESSAVG: 2818000 74.3734 -7.7093 -18.5143 -7.70925 -53.5065 23.6372 -18.5143 23.6372 6.255 GPRESSAVG: 2818000 73.1017 -7.12423 -17.9056 -7.98131 -53.6162 24.7866 -17.503 24.5746 6.90788 TIMING: 2818000 CPU: 8801.33, 0.00313622/step Wall: 8801.33, 0.00313622/step, 1.9009 hours remaining, 234.457031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2818000 3927.6809 20613.8684 14493.7919 250.5128 -203510.2289 2864.7759 0.0000 0.0000 52323.4004 -109036.1986 300.7033 -161359.5990 -108675.3407 300.1737 113.6553 141.4660 763104.6336 9.0406 8.7978 PRESSURE: 2818200 88.9548 126.258 41.8073 126.259 -22.9976 -69.3225 41.8074 -69.3223 -275.665 GPRESSURE: 2818200 98.2858 36.0722 17.2596 165.065 -27.6735 37.823 -29.8049 -58.3498 -175.025 PRESSAVG: 2818200 -44.7949 25.1442 34.1976 25.1442 50.0993 23.7915 34.1976 23.7915 -9.31581 GPRESSAVG: 2818200 -42.0606 27.7377 34.0294 23.0435 49.5096 22.0227 32.2928 22.4369 -10.9098 TIMING: 2818200 CPU: 8801.96, 0.00315928/step Wall: 8801.96, 0.00315928/step, 1.9147 hours remaining, 234.457031 MB of memory in use. ENERGY: 2818200 4017.7775 20475.8315 14529.8464 258.9659 -203196.1144 2571.0782 0.0000 0.0000 52110.4544 -109232.1604 299.4795 -161342.6148 -108872.2303 299.5244 -69.9027 -34.8043 762706.8947 -1.3371 -1.1536 PRESSURE: 2818400 -133.526 47.8354 -58.0948 47.8352 136.387 58.5855 -58.095 58.5863 146.622 GPRESSURE: 2818400 -95.6266 -26.4387 59.806 35.2396 173.726 124.982 -81.3097 -25.4207 157.351 PRESSAVG: 2818400 -36.9342 28.0153 4.95747 28.0153 19.624 -17.3425 4.95743 -17.3426 -0.107372 GPRESSAVG: 2818400 -39.647 26.2468 5.08746 29.2575 19.6724 -16.2181 5.2114 -18.4873 2.27719 TIMING: 2818400 CPU: 8802.59, 0.003124/step Wall: 8802.59, 0.003124/step, 1.89315 hours remaining, 234.457031 MB of memory in use. ENERGY: 2818400 4035.5047 20704.5073 14502.0004 241.4643 -203337.0273 2769.6208 0.0000 0.0000 52226.6294 -108857.3003 300.1472 -161083.9298 -108510.7947 299.9628 49.8275 78.4834 762860.7645 -5.8059 -5.8992 PRESSURE: 2818600 -631.277 283.224 -2.36151 283.224 -178.708 83.6258 -2.36118 83.6268 -142.993 GPRESSURE: 2818600 -590.729 164.505 3.0719 399.995 -117.194 8.96461 20.6431 113.606 -164.565 PRESSAVG: 2818600 -25.3509 -11.4638 30.5389 -11.4638 38.5751 6.69223 30.5389 6.69222 21.908 GPRESSAVG: 2818600 -25.5678 -11.9897 31.0903 -10.5345 39.2194 5.03406 31.0212 9.07107 21.2642 TIMING: 2818600 CPU: 8803.21, 0.00313989/step Wall: 8803.21, 0.00313989/step, 1.9026 hours remaining, 234.457031 MB of memory in use. ENERGY: 2818600 4029.1044 20449.9825 14437.8465 246.9404 -202776.6933 2274.8581 0.0000 0.0000 52316.6336 -109021.3278 300.6644 -161337.9614 -108645.3371 299.8098 -317.6593 -290.8291 764909.8525 11.7107 11.6386 PRESSURE: 2818800 36.7381 36.7827 112.133 36.7827 -3.66315 62.2501 112.133 62.2517 123.157 GPRESSURE: 2818800 -13.3195 -22.8742 126.595 64.422 83.9697 88.0618 -45.4014 127.599 154.772 PRESSAVG: 2818800 -13.6077 7.63743 -17.8026 7.63746 7.26793 33.9362 -17.8025 33.9361 -12.7054 GPRESSAVG: 2818800 -13.7971 8.7591 -18.39 6.69572 7.09982 35.5977 -17.3835 33.236 -12.3105 TIMING: 2818800 CPU: 8803.84, 0.00314471/step Wall: 8803.84, 0.00314471/step, 1.90535 hours remaining, 234.457031 MB of memory in use. ENERGY: 2818800 4055.8833 20506.7255 14395.1763 246.4334 -203075.5306 2620.3778 0.0000 0.0000 52070.3510 -109180.5833 299.2490 -161250.9343 -108825.5017 299.4936 52.0774 75.1408 763873.1449 -6.3484 -6.3359 PRESSURE: 2819000 -93.848 -8.61135 86.243 -8.61112 -201.484 -64.2024 86.2421 -64.2032 -92.2237 GPRESSURE: 2819000 -130.413 36.7457 91.9622 21.9378 -111.166 -100.6 6.56847 112.267 -48.6323 PRESSAVG: 2819000 1.4981 -6.6669 -85.571 -6.66687 -35.5208 34.4093 -85.571 34.4093 8.87594 GPRESSAVG: 2819000 0.703202 -7.15776 -84.2118 -6.99967 -33.6886 33.4866 -87.1648 37.6595 8.28067 TIMING: 2819000 CPU: 8804.47, 0.00314034/step Wall: 8804.47, 0.00314034/step, 1.90252 hours remaining, 234.457031 MB of memory in use. ENERGY: 2819000 4036.2160 20504.4957 14378.5971 237.2419 -202905.0021 2541.7019 0.0000 0.0000 52270.0951 -108936.6545 300.3970 -161206.7496 -108575.9878 299.6121 -129.1851 -96.7371 763809.0014 -8.3822 -8.2349 PRESSURE: 2819200 -358.386 -144.597 195.265 -144.597 -295.848 101.622 195.264 101.623 -241.68 GPRESSURE: 2819200 -346.897 -161.016 245.991 10.1427 -233.662 125.95 126.224 -11.1285 -239.195 PRESSAVG: 2819200 75.5944 20.4527 -13.0251 20.4527 -37.5242 -40.9575 -13.0251 -40.9575 -46.1489 GPRESSAVG: 2819200 77.7249 21.801 -13.4226 19.2969 -39.1862 -40.2018 -12.6021 -44.1708 -46.0986 TIMING: 2819200 CPU: 8805.1, 0.0031597/step Wall: 8805.1, 0.0031597/step, 1.91407 hours remaining, 234.457031 MB of memory in use. ENERGY: 2819200 4040.7214 20444.9459 14477.5061 238.8975 -202694.7703 2246.3663 0.0000 0.0000 52150.4073 -109095.9258 299.7091 -161246.3331 -108728.8019 299.9227 -298.6379 -273.2513 762762.0949 -2.6929 -2.5199 PRESSURE: 2819400 16.0928 -64.9523 30.5963 -64.9525 -38.8207 -7.43517 30.5974 -7.43551 -59.5165 GPRESSURE: 2819400 8.77093 -68.4175 27.0744 -149.586 -8.34474 -139.556 117.792 17.4852 -21.1527 PRESSAVG: 2819400 74.0933 -37.7183 -24.0122 -37.7183 -35.1753 13.9847 -24.0122 13.9848 15.8522 GPRESSAVG: 2819400 74.1023 -38.7902 -25.3814 -35.7382 -35.2535 12.6103 -24.888 12.9662 15.6203 TIMING: 2819400 CPU: 8805.73, 0.00315315/step Wall: 8805.73, 0.00315315/step, 1.90994 hours remaining, 234.457031 MB of memory in use. ENERGY: 2819400 4018.7966 20493.9881 14438.7690 250.8392 -202832.3988 2335.5248 0.0000 0.0000 52115.5047 -109178.9763 299.5085 -161294.4810 -108813.1436 299.1386 -27.4148 -6.9088 761255.4719 18.2568 18.1564 PRESSURE: 2819600 -184.922 27.1811 -230.869 27.1813 102.367 112.518 -230.869 112.519 -107.441 GPRESSURE: 2819600 -237.57 28.9764 -181.565 -87.1422 137.001 102.952 -182.571 216.778 -5.26985 PRESSAVG: 2819600 -18.6467 -8.88501 -6.6258 -8.88504 33.1622 7.06398 -6.62575 7.06409 2.55633 GPRESSAVG: 2819600 -20.6553 -8.23492 -7.34767 -10.3606 33.4936 7.88996 -3.71724 9.94154 3.75416 TIMING: 2819600 CPU: 8806.37, 0.00316283/step Wall: 8806.37, 0.00316283/step, 1.91562 hours remaining, 234.457031 MB of memory in use. ENERGY: 2819600 3965.6216 20356.1193 14375.0460 242.7647 -202588.6548 2329.6087 0.0000 0.0000 51988.3246 -109331.1700 298.7776 -161319.4945 -108964.9930 299.3215 -63.3320 -35.2795 762812.1008 5.6906 5.5308 PRESSURE: 2819800 170.301 -79.019 141.392 -79.0184 328.778 175.375 141.393 175.374 260.551 GPRESSURE: 2819800 241.216 -109.516 113.091 -41.0949 276.262 87.3293 110.025 155.4 325.728 PRESSAVG: 2819800 6.24342 11.1543 0.0544666 11.1544 -15.3126 -7.71565 0.0544442 -7.71571 -23.8308 GPRESSAVG: 2819800 6.59569 9.9623 2.09402 11.4648 -14.3834 -9.73738 -1.9297 -8.93848 -24.4946 TIMING: 2819800 CPU: 8807, 0.00316552/step Wall: 8807, 0.00316552/step, 1.91707 hours remaining, 234.457031 MB of memory in use. ENERGY: 2819800 3933.1640 20578.0493 14410.9929 265.3971 -203029.8163 2701.4305 0.0000 0.0000 51837.2824 -109303.5001 297.9096 -161140.7825 -108939.7448 298.9979 253.2102 281.0689 763122.6336 -10.9667 -10.7608 PRESSURE: 2820000 -458.831 75.1715 83.999 75.1711 -100.905 82.6616 83.9993 82.6613 -64.5239 GPRESSURE: 2820000 -344.727 10.4703 203.523 149.427 -56.9217 126.464 77.1428 -11.4541 -127.995 PRESSAVG: 2820000 51.3369 -33.0957 34.271 -33.0958 -24.0207 34.4912 34.271 34.4912 12.987 GPRESSAVG: 2820000 52.8413 -31.7728 32.9269 -35.0133 -25.0459 34.8264 34.6153 34.7569 12.6066 TIMING: 2820000 CPU: 8807.63, 0.003156/step Wall: 8807.63, 0.003156/step, 1.91113 hours remaining, 234.457031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2820000 4002.1026 20365.4220 14427.9590 256.2157 -202733.3634 2158.9714 0.0000 0.0000 52137.1682 -109385.5245 299.6330 -161522.6927 -109014.2800 298.6484 -208.0866 -176.5478 761979.4852 13.4344 13.4673 PRESSURE: 2820200 -309.945 82.7093 118.234 82.709 -417.916 -12.6879 118.233 -12.6878 -43.0191 GPRESSURE: 2820200 -209.332 61.8195 85.4723 109.559 -408.882 -3.97451 49.1124 151.413 -51.8604 PRESSAVG: 2820200 20.5571 18.7888 31.6931 18.7888 17.1592 45.9029 31.6931 45.9029 11.622 GPRESSAVG: 2820200 19.5633 18.2494 31.969 19.8779 17.2364 46.8846 29.9824 44.7585 12.3426 TIMING: 2820200 CPU: 8808.26, 0.00313849/step Wall: 8808.26, 0.00313849/step, 1.90036 hours remaining, 234.457031 MB of memory in use. ENERGY: 2820200 3970.5387 20424.7427 14450.0674 258.2789 -202670.5526 2306.3511 0.0000 0.0000 51793.7865 -109466.7873 297.6596 -161260.5737 -109109.4970 299.0254 -256.9603 -223.3580 762439.8197 16.4461 16.3807 LDB: ============= START OF LOAD BALANCING ============== 8820.74 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8820.74 LDB: =============== DONE WITH MIGRATION ================ 8820.74 LDB: ============= START OF LOAD BALANCING ============== 8821.05 LDB: Largest compute 7070 load 0.030376 is 15.6% of average load 0.195098 LDB: Average compute 0.004402 is 2.3% of average load 0.195098 LDB: TIME 8821.06 LOAD: AVG 0.195098 MAX 0.216164 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 8821.06 LOAD: AVG 0.195098 MAX 0.216164 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.461 MB LDB: TIME 8821.06 LOAD: AVG 0.195098 MAX 0.216164 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.461 MB LDB: ============== END OF LOAD BALANCING =============== 8821.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8821.07 PRESSURE: 2820400 62.763 -178.845 58.9107 -178.845 89.2529 152.333 58.9111 152.334 -245.463 GPRESSURE: 2820400 59.2285 -164.897 52.1853 -106.449 146.11 122.055 148.82 135.856 -215.929 PRESSAVG: 2820400 -18.6544 5.73896 -30.8934 5.73891 51.6043 23.3407 -30.8934 23.3407 -5.96541 GPRESSAVG: 2820400 -18.8292 4.55298 -31.1116 6.61232 51.992 23.5335 -28.9427 24.4768 -6.15417 TIMING: 2820400 CPU: 8808.9, 0.00320606/step Wall: 8808.9, 0.00320606/step, 1.94109 hours remaining, 234.253906 MB of memory in use. ENERGY: 2820400 3922.4642 20316.4119 14502.2988 234.3315 -203376.7726 2897.8041 0.0000 0.0000 51954.9293 -109548.5327 298.5857 -161503.4621 -109188.1447 298.3866 -31.1491 -3.5302 762698.1649 8.9948 9.0029 PRESSURE: 2820600 129.4 31.2067 -116.576 31.2068 24.4517 -48.2152 -116.577 -48.2156 -39.5044 GPRESSURE: 2820600 162.14 126.18 -150.73 133.772 61.4361 -10.9295 -65.2767 0.318385 -18.6373 PRESSAVG: 2820600 16.7054 -16.7844 17.1824 -16.7843 26.0967 10.0878 17.1823 10.0878 5.39141 GPRESSAVG: 2820600 16.0721 -16.4746 17.2203 -17.1634 25.4026 10.6219 15.9844 10.1324 6.17779 TIMING: 2820600 CPU: 8809.53, 0.00314015/step Wall: 8809.53, 0.00314015/step, 1.90101 hours remaining, 234.253906 MB of memory in use. ENERGY: 2820600 3883.3335 20399.7231 14435.7990 246.2448 -203489.9230 3036.6712 0.0000 0.0000 51867.8216 -109620.3298 298.0851 -161488.1514 -109259.9679 298.1326 38.1156 68.3128 761966.1304 16.0645 15.8842 PRESSURE: 2820800 -163.779 -48.6223 -76.093 -48.6232 -12.0042 -37.6637 -76.0932 -37.6636 14.2912 GPRESSURE: 2820800 -209.97 24.3366 -23.6899 -115.339 84.313 59.1094 -258.116 -62.4701 70.3182 PRESSAVG: 2820800 -18.6466 -26.2744 19.384 -26.2743 38.7281 -25.7155 19.384 -25.7155 -25.5066 GPRESSAVG: 2820800 -18.9837 -25.9782 20.2071 -27.1224 39.4731 -25.8742 19.1872 -26.8316 -26.1856 TIMING: 2820800 CPU: 8810.16, 0.00313949/step Wall: 8810.16, 0.00313949/step, 1.90044 hours remaining, 234.253906 MB of memory in use. ENERGY: 2820800 3996.3115 20379.4783 14430.0792 260.8532 -203035.4328 2394.2228 0.0000 0.0000 51930.1379 -109644.3499 298.4432 -161574.4878 -109279.4565 297.9775 -53.8308 -18.4463 762738.4360 -1.8084 -1.8987 PRESSURE: 2821000 361.206 -200.436 78.0271 -200.435 189.914 101.654 78.0266 101.655 234.658 GPRESSURE: 2821000 337.736 -161.721 28.3018 -76.1991 273.38 128.864 66.935 -39.2695 257.863 PRESSAVG: 2821000 -57.5257 -67.1554 -27.0231 -67.1554 13.0028 29.5261 -27.0231 29.5261 22.0308 GPRESSAVG: 2821000 -57.8568 -66.4874 -28.0614 -67.4433 12.8738 28.6561 -26.4043 29.7656 21.9985 TIMING: 2821000 CPU: 8810.78, 0.00314169/step Wall: 8810.78, 0.00314169/step, 1.9016 hours remaining, 234.253906 MB of memory in use. ENERGY: 2821000 4015.4281 20504.9088 14458.5632 260.4917 -203062.1193 2657.0993 0.0000 0.0000 51605.9882 -109559.6398 296.5803 -161165.6280 -109203.9836 298.7391 261.9260 289.6596 762143.3915 -7.4974 -7.6615 PRESSURE: 2821200 -315.734 146.984 319.901 146.984 -250.158 47.6574 319.901 47.6567 -238.434 GPRESSURE: 2821200 -189.56 -15.5585 272.822 149.011 -338.218 42.2429 335.327 77.3399 -204.648 PRESSAVG: 2821200 18.1464 -78.1076 13.5465 -78.1076 -21.9025 -55.6809 13.5465 -55.6809 0.661975 GPRESSAVG: 2821200 17.6049 -78.1147 14.0543 -78.0968 -22.5273 -55.7946 14.1091 -53.4921 1.51966 TIMING: 2821200 CPU: 8811.41, 0.00313605/step Wall: 8811.41, 0.00313605/step, 1.89801 hours remaining, 234.253906 MB of memory in use. ENERGY: 2821200 3922.0410 20326.3195 14440.5453 259.0806 -203220.7364 2365.2816 0.0000 0.0000 52208.7189 -109698.7495 300.0442 -161907.4684 -109336.5828 298.5795 -268.1088 -244.1422 762184.0509 -1.0314 -1.1342 PRESSURE: 2821400 -203.76 -129.465 86.1255 -129.464 -280.928 92.0834 86.1261 92.0834 -501.042 GPRESSURE: 2821400 -264.568 -211.779 25.6411 -153.582 -171.479 72.2551 16.1276 112.466 -467.184 PRESSAVG: 2821400 -71.6722 -51.1452 7.25303 -51.1453 34.8079 -37.0698 7.253 -37.0698 -22.163 GPRESSAVG: 2821400 -72.1568 -53.4562 6.84402 -49.6813 35.6821 -36.9284 7.4718 -39.5669 -23.4384 TIMING: 2821400 CPU: 8812.04, 0.00316459/step Wall: 8812.04, 0.00316459/step, 1.91511 hours remaining, 234.253906 MB of memory in use. ENERGY: 2821400 3970.8594 20619.9152 14454.2033 246.8946 -203442.9375 2629.2519 0.0000 0.0000 51739.8396 -109781.9735 297.3496 -161521.8130 -109428.5311 298.3640 -328.5763 -301.0772 763004.8698 -19.6758 -19.9710 PRESSURE: 2821600 -327.464 133.482 -42.1958 133.482 -511.82 -177.774 -42.1954 -177.775 277.609 GPRESSURE: 2821600 -337.934 -50.7424 -74.4991 188.98 -407.124 -190.761 -81.0057 -257.124 273.483 PRESSAVG: 2821600 -23.4902 -27.558 29.5789 -27.5581 25.5881 23.4284 29.5789 23.4284 22.164 GPRESSAVG: 2821600 -23.4125 -26.0111 29.5479 -30.2649 25.5917 22.7652 29.7941 24.0779 22.6664 TIMING: 2821600 CPU: 8812.67, 0.00314108/step Wall: 8812.67, 0.00314108/step, 1.9007 hours remaining, 234.253906 MB of memory in use. ENERGY: 2821600 4007.8857 20497.3653 14441.6528 259.2052 -202747.0780 2366.1472 0.0000 0.0000 51820.1381 -109354.6836 297.8110 -161174.8217 -108986.3609 298.6086 -187.2252 -157.1916 763444.5449 8.0873 8.2819 PRESSURE: 2821800 318.953 -35.5644 194.296 -35.5646 -54.5804 77.1709 194.296 77.171 -88.0685 GPRESSURE: 2821800 226.054 152.002 160.858 18.3676 27.4897 15.6635 81.6181 96.5783 9.30432 PRESSAVG: 2821800 -19.6919 -8.95865 -9.5485 -8.95868 -0.375378 42.6985 -9.5485 42.6984 -14.3794 GPRESSAVG: 2821800 -19.8318 -6.56184 -9.05351 -8.13504 -0.524934 42.8646 -10.3658 43.3991 -13.902 TIMING: 2821800 CPU: 8813.3, 0.0031403/step Wall: 8813.3, 0.0031403/step, 1.90006 hours remaining, 234.253906 MB of memory in use. ENERGY: 2821800 3995.7709 20587.0870 14430.7363 231.7357 -202989.9236 2557.5117 0.0000 0.0000 51863.0671 -109324.0149 298.0578 -161187.0820 -108973.9660 299.3465 58.7682 87.6161 763256.0143 -11.4822 -11.4196 PRESSURE: 2822000 101.382 8.64909 122.064 8.64892 203.536 162.815 122.065 162.815 430.122 GPRESSURE: 2822000 169.087 18.782 117.049 36.3259 216.002 181.618 158.212 126.998 425.059 PRESSAVG: 2822000 -66.4786 1.77303 -4.41747 1.77303 12.2867 -21.615 -4.41747 -21.615 10.2481 GPRESSAVG: 2822000 -65.2005 0.524667 -5.32332 2.00416 12.0022 -21.3756 -3.24085 -21.6287 9.31799 TIMING: 2822000 CPU: 8813.93, 0.00313933/step Wall: 8813.93, 0.00313933/step, 1.89929 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2822000 3964.2803 20481.8903 14454.9269 261.8543 -202628.6851 2573.2606 0.0000 0.0000 52002.0767 -108890.3961 298.8566 -160892.4728 -108533.0301 299.0997 245.0134 270.0495 762273.8349 -14.6479 -14.6268 PRESSURE: 2822200 -303.025 188.816 -82.2308 188.816 26.544 -0.603328 -82.2298 -0.604064 -53.7128 GPRESSURE: 2822200 -244.987 181.253 -12.4417 240.339 16.5115 -7.89132 -21.9549 50.9912 -26.7616 PRESSAVG: 2822200 -66.5857 0.268847 47.5509 0.268821 46.9269 -48.771 47.5509 -48.771 9.35163 GPRESSAVG: 2822200 -67.669 -0.689601 47.1976 0.265946 47.8416 -48.0669 47.0678 -49.104 9.30014 TIMING: 2822200 CPU: 8814.55, 0.00313431/step Wall: 8814.55, 0.00313431/step, 1.89608 hours remaining, 234.253906 MB of memory in use. ENERGY: 2822200 3947.7238 20625.8441 14386.3222 243.2416 -202931.5131 2540.0027 0.0000 0.0000 52328.3819 -108859.9969 300.7319 -161188.3788 -108495.5216 299.8429 -110.0645 -85.0789 761640.5529 -3.4357 -3.5091 PRESSURE: 2822400 -57.6014 -6.6207 19.5237 -6.62009 392.662 349.123 19.5243 349.124 -154.894 GPRESSURE: 2822400 5.42839 15.7699 26.1561 85.5873 401.24 319.776 -23.5488 148.623 -145.247 PRESSAVG: 2822400 -11.0468 2.49617 13.9004 2.49619 15.2373 41.6401 13.9004 41.64 -7.00465 GPRESSAVG: 2822400 -10.8752 3.80365 14.862 0.813646 13.1945 40.6887 12.4855 40.5252 -5.40762 TIMING: 2822400 CPU: 8815.18, 0.00314214/step Wall: 8815.18, 0.00314214/step, 1.90065 hours remaining, 234.253906 MB of memory in use. ENERGY: 2822400 4015.4359 20508.0844 14445.4648 248.2836 -202775.2561 2594.8977 0.0000 0.0000 52109.2858 -108853.8039 299.4728 -160963.0897 -108493.5396 300.2642 60.0555 87.1406 762969.9054 -0.9381 -1.0295 PRESSURE: 2822600 -500.717 61.8818 167.963 61.8819 -69.8214 -191.039 167.963 -191.039 -86.2068 GPRESSURE: 2822600 -376.256 -1.68208 177.911 5.28015 -52.906 -257.455 218.773 -58.1747 -135.48 PRESSAVG: 2822600 -74.8844 -25.281 -4.74988 -25.281 28.2273 0.396447 -4.74985 0.396443 0.655703 GPRESSAVG: 2822600 -75.3429 -26.1315 -3.79702 -22.9411 29.5964 0.849547 -4.53945 3.59407 -0.652412 TIMING: 2822600 CPU: 8815.81, 0.0031179/step Wall: 8815.81, 0.0031179/step, 1.88581 hours remaining, 234.253906 MB of memory in use. ENERGY: 2822600 3952.5832 20591.1160 14489.0241 232.3423 -202881.9555 2464.0848 0.0000 0.0000 52289.6805 -108863.1245 300.5095 -161152.8050 -108499.0801 299.7847 -218.9151 -188.2140 762102.5565 -15.3338 -15.4663 PRESSURE: 2822800 76.4429 45.6822 -53.5797 45.6818 -124.029 200.15 -53.5803 200.151 -280.365 GPRESSURE: 2822800 105.17 -40.674 -28.2464 43.7293 -128.209 159.765 -35.2645 240.943 -203.725 PRESSAVG: 2822800 22.7223 3.35586 -19.5056 3.35588 6.39335 16.0983 -19.5055 16.0983 0.806707 GPRESSAVG: 2822800 23.7084 2.35186 -19.8465 4.15825 5.07625 15.6078 -19.674 14.7115 1.90546 TIMING: 2822800 CPU: 8816.43, 0.00313234/step Wall: 8816.43, 0.00313234/step, 1.89437 hours remaining, 234.253906 MB of memory in use. ENERGY: 2822800 3987.6238 20578.1168 14414.8603 263.0413 -202725.3327 2549.1200 0.0000 0.0000 52337.9293 -108594.6413 300.7868 -160932.5706 -108233.9182 300.1781 -109.3170 -75.5880 762899.5188 9.9741 10.2300 PRESSURE: 2823000 -631.613 65.0226 -22.7539 65.0218 112.3 107.028 -22.754 107.028 -92.0068 GPRESSURE: 2823000 -494.762 39.8007 -14.6382 49.1532 108.035 22.0135 10.4311 -75.8413 -143.007 PRESSAVG: 2823000 9.40799 3.06431 -27.2658 3.06429 41.8798 53.7275 -27.2658 53.7275 29.96 GPRESSAVG: 2823000 8.79146 4.09139 -26.6976 0.0214769 42.5129 54.5181 -26.5968 53.8455 29.6224 TIMING: 2823000 CPU: 8817.06, 0.00312434/step Wall: 8817.06, 0.00312434/step, 1.88936 hours remaining, 234.253906 MB of memory in use. ENERGY: 2823000 4068.0110 20539.8516 14471.0183 260.7903 -202856.0111 2670.2172 0.0000 0.0000 52104.1221 -108742.0005 299.4431 -160846.1227 -108381.3964 300.9243 -203.7731 -176.5778 761646.3200 27.0826 26.9756 PRESSURE: 2823200 -413.869 8.73672 -44.3095 8.73701 -209.081 157.165 -44.3085 157.166 -251.634 GPRESSURE: 2823200 -429.004 34.6919 -90.3126 -75.992 -99.1279 131.78 -79.9772 150.719 -259.625 PRESSAVG: 2823200 -17.6483 25.9372 25.6147 25.9372 36.6689 -13.1622 25.6147 -13.1622 5.11219 GPRESSAVG: 2823200 -17.4271 26.9939 24.4201 27.577 35.5327 -14.9285 25.3389 -14.908 5.90913 TIMING: 2823200 CPU: 8817.68, 0.00312784/step Wall: 8817.68, 0.00312784/step, 1.8913 hours remaining, 234.253906 MB of memory in use. ENERGY: 2823200 3985.4156 20435.6398 14575.3401 249.4054 -202684.0823 2587.4945 0.0000 0.0000 51966.0110 -108884.7759 298.6494 -160850.7869 -108522.8028 300.5074 -291.5277 -262.5857 764058.3677 8.0443 8.0049 PRESSURE: 2823400 265.828 109.685 -52.9706 109.685 -154.76 6.08839 -52.9705 6.08683 539.08 GPRESSURE: 2823400 255.809 120.202 -103.298 194.766 -29.5844 11.7663 -94.3279 56.6179 524.177 PRESSAVG: 2823400 0.677176 40.0062 -1.36711 40.0062 -56.2841 -20.8522 -1.36708 -20.8521 16.541 GPRESSAVG: 2823400 0.522457 37.3211 -0.164334 39.3263 -54.7914 -19.9522 -1.09664 -21.7414 15.176 TIMING: 2823400 CPU: 8818.31, 0.00311859/step Wall: 8818.31, 0.00311859/step, 1.88553 hours remaining, 234.253906 MB of memory in use. ENERGY: 2823400 4058.2951 20461.0588 14431.2993 231.6705 -202867.9227 2740.6357 0.0000 0.0000 52172.1466 -108772.8167 299.8340 -160944.9633 -108418.4139 299.7556 216.7163 250.1339 763008.0331 -13.0220 -13.0310 PRESSURE: 2823600 114.453 24.3088 -205.57 24.3089 231.716 18.6742 -205.571 18.6743 15.395 GPRESSURE: 2823600 170.337 58.4832 -345.183 64.3872 218.643 57.1577 -181.337 112.708 67.1116 PRESSAVG: 2823600 -0.955218 -30.9632 73.9867 -30.9633 1.27294 28.1169 73.9866 28.1169 -1.09734 GPRESSAVG: 2823600 -0.398468 -27.6938 74.0899 -31.3621 0.821585 27.1997 74.9804 31.489 -1.56047 TIMING: 2823600 CPU: 8818.93, 0.00312975/step Wall: 8818.93, 0.00312975/step, 1.89211 hours remaining, 234.253906 MB of memory in use. ENERGY: 2823600 3937.4865 20502.5226 14424.2480 239.1665 -203247.8389 2792.5490 0.0000 0.0000 52463.4432 -108888.4230 301.5081 -161351.8662 -108519.7128 300.7510 120.5216 152.0307 761678.7752 -0.2599 -0.3791 PRESSURE: 2823800 -172.777 -214.229 166.841 -214.229 171.093 116.412 166.841 116.413 -132.239 GPRESSURE: 2823800 -111.941 -207.991 267.546 -171.905 222.907 74.1963 22.6092 11.9717 -177.891 PRESSAVG: 2823800 -13.1979 -1.01357 15.9563 -1.01358 35.9986 24.92 15.9563 24.92 9.92571 GPRESSAVG: 2823800 -15.0117 -3.01583 14.1097 0.572519 37.134 25.9987 14.7596 22.1931 10.67 TIMING: 2823800 CPU: 8819.56, 0.00313236/step Wall: 8819.56, 0.00313236/step, 1.89351 hours remaining, 234.253906 MB of memory in use. ENERGY: 2823800 3927.4083 20602.5472 14433.5479 255.6207 -203237.8710 2964.2162 0.0000 0.0000 52087.8943 -108966.6363 299.3498 -161054.5306 -108602.3697 300.4776 -44.6410 -22.3084 763223.9681 10.9088 10.9308 PRESSURE: 2824000 -99.1396 25.1162 -204.28 25.1162 -60.4931 152.478 -204.28 152.479 -60.5741 GPRESSURE: 2824000 -107.47 -47.0368 -189.008 177.748 -23.8282 147.983 -188.494 125.942 22.495 PRESSAVG: 2824000 -12.2489 -26.1585 -37.7936 -26.1585 26.895 -17.2684 -37.7936 -17.2684 -8.44193 GPRESSAVG: 2824000 -11.22 -26.6358 -35.7948 -25.6227 26.0055 -17.6279 -36.6909 -14.2248 -8.46186 TIMING: 2824000 CPU: 8820.19, 0.00313243/step Wall: 8820.19, 0.00313243/step, 1.89338 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2824000 3991.0016 20430.2599 14359.6209 244.0921 -202776.5493 2496.4294 0.0000 0.0000 52126.4158 -109128.7295 299.5712 -161255.1453 -108767.7694 299.7610 -73.4023 -36.2678 763712.2893 2.0681 2.1079 PRESSURE: 2824200 71.2864 -21.7404 -168.634 -21.741 275.482 8.81989 -168.633 8.82063 339.013 GPRESSURE: 2824200 86.6486 87.0323 -112.601 -118.765 360.278 48.0815 -163.096 -75.7138 346.493 PRESSAVG: 2824200 -9.95896 -3.93113 -32.6313 -3.93108 12.9028 14.5639 -32.6313 14.564 9.89856 GPRESSAVG: 2824200 -9.19735 -4.40411 -31.8415 -4.91672 13.3245 14.2925 -34.6364 11.1893 8.97682 TIMING: 2824200 CPU: 8820.81, 0.00312264/step Wall: 8820.81, 0.00312264/step, 1.88729 hours remaining, 234.253906 MB of memory in use. ENERGY: 2824200 3966.9790 20398.7240 14426.6149 240.5260 -203479.5207 2894.1586 0.0000 0.0000 52331.6230 -109220.8951 300.7506 -161552.5181 -108857.8672 299.3598 228.5937 264.4734 762235.7538 4.2808 4.3680 LDB: ============= START OF LOAD BALANCING ============== 8833.29 LDB: ============== END OF LOAD BALANCING =============== 8833.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8833.29 LDB: ============= START OF LOAD BALANCING ============== 8833.6 LDB: Largest compute 7070 load 0.029411 is 15.1% of average load 0.195055 LDB: Average compute 0.004404 is 2.3% of average load 0.195055 LDB: TIME 8833.61 LOAD: AVG 0.195055 MAX 0.216045 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.047 MB LDB: TIME 8833.61 LOAD: AVG 0.195055 MAX 0.216045 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.047 MB LDB: TIME 8833.61 LOAD: AVG 0.195055 MAX 0.216045 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.047 MB LDB: ============== END OF LOAD BALANCING =============== 8833.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8833.61 PRESSURE: 2824400 -65.4478 -82.2823 32.316 -82.2819 398.723 -231.464 32.3157 -231.464 -159.277 GPRESSURE: 2824400 41.8618 -65.799 -3.22412 -58.9956 287.646 -261.247 124.59 -47.5667 -85.1906 PRESSAVG: 2824400 -23.6904 -18.4379 27.4398 -18.4378 29.8677 46.1285 27.4398 46.1286 -7.13569 GPRESSAVG: 2824400 -23.8935 -17.936 24.857 -17.8427 29.1577 45.5257 28.5842 48.1587 -6.69296 TIMING: 2824400 CPU: 8821.45, 0.0031906/step Wall: 8821.45, 0.00319061/step, 1.92819 hours remaining, 235.332031 MB of memory in use. ENERGY: 2824400 3900.2305 20470.4822 14423.3165 246.9364 -202983.7135 2381.1225 0.0000 0.0000 52153.2446 -109408.3808 299.7254 -161561.6254 -109040.6770 298.8006 57.9997 81.4392 762413.2077 -0.3195 -0.4762 PRESSURE: 2824600 166.646 -8.93548 69.377 -8.93573 50.0631 -80.1647 69.3783 -80.164 -416.619 GPRESSURE: 2824600 66.9641 -85.8859 160.787 -36.3267 197.468 -162.824 -5.18439 77.102 -387.514 PRESSAVG: 2824600 -42.8344 -20.7635 -5.03623 -20.7635 35.3035 36.2652 -5.03613 36.2652 -24.8563 GPRESSAVG: 2824600 -43.8021 -20.9173 -3.3308 -21.5575 35.863 37.0525 -6.50737 36.3239 -24.4789 TIMING: 2824600 CPU: 8822.07, 0.00311687/step Wall: 8822.07, 0.00311687/step, 1.88346 hours remaining, 235.531250 MB of memory in use. ENERGY: 2824600 3987.0195 20604.5138 14414.1845 221.0762 -203139.6886 2700.6293 0.0000 0.0000 51975.6021 -109236.6633 298.7045 -161212.2653 -108889.2661 299.1042 -66.6365 -41.0274 763897.6020 -10.7957 -10.8060 PRESSURE: 2824800 -588.508 -185.865 -135.891 -185.864 -44.332 71.1026 -135.891 71.1033 -374.178 GPRESSURE: 2824800 -585.373 -187.131 -67.992 -83.8988 -0.105404 40.0712 -134.9 204.524 -339.715 PRESSAVG: 2824800 -7.20755 -30.6374 -51.4298 -30.6374 43.5508 44.0947 -51.4299 44.0948 5.77113 GPRESSAVG: 2824800 -6.74857 -31.4874 -52.3894 -30.148 43.3439 42.2337 -50.0413 42.9519 5.89937 TIMING: 2824800 CPU: 8822.7, 0.00313888/step Wall: 8822.7, 0.00313888/step, 1.89658 hours remaining, 235.531250 MB of memory in use. ENERGY: 2824800 3953.8540 20512.4566 14387.2806 252.6782 -202949.9587 2274.0952 0.0000 0.0000 52201.2191 -109368.3749 300.0011 -161569.5940 -109008.9101 299.9394 -335.6726 -308.3980 763354.0275 14.0381 14.1649 PRESSURE: 2825000 -218.471 -80.7918 -148.147 -80.7912 20.0981 -109.944 -148.148 -109.944 -97.4578 GPRESSURE: 2825000 -88.7333 60.0379 -104.7 -105.495 -8.95133 -74.5662 -126.783 -116.586 -113.86 PRESSAVG: 2825000 -31.3946 -24.7248 7.19629 -24.7248 23.4596 9.79233 7.19633 9.79243 -0.663829 GPRESSAVG: 2825000 -30.5944 -24.3264 8.40972 -25.0754 24.8557 11.0337 6.40005 11.7138 -2.59791 TIMING: 2825000 CPU: 8823.33, 0.00314788/step Wall: 8823.33, 0.00314788/step, 1.90184 hours remaining, 235.531250 MB of memory in use. ENERGY: 2825000 3960.2253 20405.5321 14442.8627 259.1281 -202857.0670 2370.4977 0.0000 0.0000 52006.8565 -109411.9647 298.8841 -161418.8212 -109052.3848 299.6332 -98.6104 -70.5149 761980.1031 -2.8663 -2.7789 PRESSURE: 2825200 -277.131 -166.224 -67.0658 -166.224 -207.536 15.4735 -67.0664 15.4736 136.634 GPRESSURE: 2825200 -280.956 -348.081 -131.507 -54.3727 -209.221 16.6067 -74.1841 57.6186 239.807 PRESSAVG: 2825200 4.45293 -22.5421 -10.8963 -22.5421 -48.7427 0.98728 -10.8963 0.987229 2.6794 GPRESSAVG: 2825200 4.58283 -20.9443 -12.0702 -21.1976 -50.1243 0.501387 -9.72378 -1.08416 4.00564 TIMING: 2825200 CPU: 8823.95, 0.00312181/step Wall: 8823.95, 0.00312181/step, 1.88592 hours remaining, 235.531250 MB of memory in use. ENERGY: 2825200 4007.1852 20368.7027 14404.0688 238.2756 -203465.2551 2854.3948 0.0000 0.0000 52096.4083 -109496.2198 299.3988 -161592.6280 -109133.7080 299.0746 -116.0108 -83.4567 761635.2465 -13.8701 -13.8453 PRESSURE: 2825400 -158.134 -150.296 25.5548 -150.296 -111.289 24.4994 25.554 24.499 -24.9447 GPRESSURE: 2825400 -113.636 -179.634 -40.6892 -185.584 -151.644 -9.72035 19.2497 -3.55453 44.6702 PRESSAVG: 2825400 -32.5918 -38.6688 -31.235 -38.6688 29.2872 -26.7148 -31.235 -26.7148 2.52534 GPRESSAVG: 2825400 -31.865 -41.3528 -31.1326 -41.6753 28.9635 -25.4232 -31.9097 -26.5157 1.69053 TIMING: 2825400 CPU: 8824.58, 0.00313109/step Wall: 8824.58, 0.00313109/step, 1.89135 hours remaining, 235.531250 MB of memory in use. ENERGY: 2825400 3970.6826 20382.6503 14490.4862 231.3000 -203312.0682 2559.5903 0.0000 0.0000 52189.5545 -109487.8044 299.9341 -161677.3589 -109119.3216 298.7861 -98.1225 -73.5368 762412.3394 -0.2597 -0.4037 PRESSURE: 2825600 -345.764 1.75131 -96.5612 1.75121 -111.092 -111.098 -96.5605 -111.097 -189.817 GPRESSURE: 2825600 -226.714 90.4004 -19.6317 47.6739 -209.482 -107.755 -158.647 -18.3824 -126.37 PRESSAVG: 2825600 10.3409 -48.9639 -71.8987 -48.9639 -17.3794 10.0314 -71.8987 10.0314 -10.164 GPRESSAVG: 2825600 9.51663 -47.2392 -71.4856 -46.3578 -16.9287 9.64276 -70.3746 10.028 -9.91672 TIMING: 2825600 CPU: 8825.21, 0.00312997/step Wall: 8825.21, 0.00312997/step, 1.8905 hours remaining, 235.531250 MB of memory in use. ENERGY: 2825600 4021.4183 20586.4905 14433.9204 252.7782 -203129.9828 2729.0911 0.0000 0.0000 51775.5926 -109330.6916 297.5550 -161106.2843 -108975.2572 298.8650 -215.5575 -187.5220 762338.5801 -5.7342 -5.7763 PRESSURE: 2825800 -288.05 89.8461 -58.7059 89.8457 -258.41 21.3332 -58.7067 21.3333 -121.024 GPRESSURE: 2825800 -322.596 56.6215 11.8787 13.4275 -235.471 56.8556 -11.5723 29.6857 -35.6582 PRESSAVG: 2825800 -6.00719 28.1295 -4.51417 28.1295 -1.6725 1.69189 -4.51414 1.69187 -9.55024 GPRESSAVG: 2825800 -6.88498 27.2697 -5.60116 27.1131 -2.17183 0.534225 -3.93447 3.60627 -7.76157 TIMING: 2825800 CPU: 8825.83, 0.00313309/step Wall: 8825.83, 0.00313309/step, 1.89221 hours remaining, 235.531250 MB of memory in use. ENERGY: 2825800 4024.5901 20557.3005 14461.1426 267.1630 -203340.5209 2446.3798 0.0000 0.0000 51890.5531 -109693.3918 298.2157 -161583.9449 -109324.3929 298.9959 -222.4947 -197.9084 762597.8575 -5.7433 -5.6061 PRESSURE: 2826000 59.1054 -154.203 -318.181 -154.202 -423.251 -2.09984 -318.182 -2.09981 -50.4595 GPRESSURE: 2826000 17.8268 -242.525 -324.03 -141.95 -353.895 -51.8931 -231.17 39.6577 -9.73169 PRESSAVG: 2826000 14.9269 25.1658 -6.59902 25.1658 29.5605 2.8876 -6.599 2.88757 -5.5367 GPRESSAVG: 2826000 16.1345 25.0595 -4.41594 23.7492 30.3746 2.92971 -6.80759 1.69615 -8.00053 TIMING: 2826000 CPU: 8826.46, 0.00312211/step Wall: 8826.46, 0.00312211/step, 1.88541 hours remaining, 235.531250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2826000 3957.4375 20700.4610 14423.0206 244.7345 -203467.1241 2506.9920 0.0000 0.0000 51999.7208 -109634.7576 298.8431 -161634.4784 -109281.0388 298.9092 -138.2017 -115.2667 761042.3740 12.9836 12.8362 PRESSURE: 2826200 196.277 30.1307 -190.633 30.1311 352.328 -94.9292 -190.632 -94.9282 42.2158 GPRESSURE: 2826200 270.143 12.6477 -209.436 103.12 301.55 -60.6872 -149.156 -57.9753 100.206 PRESSAVG: 2826200 69.5682 -9.4878 -62.2798 -9.4878 -75.8844 -15.8362 -62.2798 -15.8362 -3.85705 GPRESSAVG: 2826200 68.0522 -9.97701 -62.2118 -5.26861 -75.6417 -14.8533 -62.4731 -14.6458 -3.07565 TIMING: 2826200 CPU: 8827.08, 0.003135/step Wall: 8827.08, 0.003135/step, 1.89302 hours remaining, 235.531250 MB of memory in use. ENERGY: 2826200 4007.8482 20489.5010 14406.2709 234.2031 -203491.7100 3017.7585 0.0000 0.0000 51681.2874 -109654.8410 297.0131 -161336.1283 -109292.2961 298.8731 196.9400 223.9665 761828.4374 -3.3911 -3.5550 PRESSURE: 2826400 259.214 -304.825 153.57 -304.826 -125.314 262.757 153.57 262.757 62.6377 GPRESSURE: 2826400 318.749 -328.469 167.279 -296.892 -92.9126 158.487 102.053 331.115 47.4552 PRESSAVG: 2826400 43.2873 -6.46794 -76.8653 -6.46792 -15.3387 -34.668 -76.8652 -34.668 -10.5409 GPRESSAVG: 2826400 43.6855 -6.77626 -75.6801 -9.08174 -15.4817 -34.2949 -76.2811 -35.1606 -10.8857 TIMING: 2826400 CPU: 8827.71, 0.00313885/step Wall: 8827.71, 0.00313885/step, 1.89517 hours remaining, 235.531250 MB of memory in use. ENERGY: 2826400 4001.5225 20395.6825 14398.5979 235.1369 -203558.5178 2716.6767 0.0000 0.0000 52158.1057 -109652.7955 299.7534 -161810.9012 -109279.4193 298.7060 65.5128 91.0973 761640.1698 5.8026 5.7727 PRESSURE: 2826600 -55.6643 249.005 -110.049 249.006 139.738 66.7284 -110.05 66.7277 -50.4326 GPRESSURE: 2826600 1.00127 203.89 -107.512 140.365 125.528 83.6786 -127.382 124.759 -19.0006 PRESSAVG: 2826600 15.0631 2.87145 -61.9739 2.87144 -40.9747 -18.5016 -61.974 -18.5016 21.2656 GPRESSAVG: 2826600 15.059 2.24494 -66.0108 0.611528 -41.269 -20.5786 -63.0914 -18.7236 21.6571 TIMING: 2826600 CPU: 8828.34, 0.0031449/step Wall: 8828.34, 0.0031449/step, 1.89864 hours remaining, 235.531250 MB of memory in use. ENERGY: 2826600 4072.4891 20427.6441 14386.7460 274.2269 -203724.1628 2929.6833 0.0000 0.0000 51807.2342 -109826.1393 297.7369 -161633.3734 -109461.4856 298.5572 11.2136 35.8430 762879.7581 -1.5487 -1.5176 PRESSURE: 2826800 -429.242 -13.1227 -231.896 -13.1223 223.661 -159.289 -231.897 -159.289 -99.3276 GPRESSURE: 2826800 -281.254 4.66289 -186.253 -56.3472 164.014 -143.461 -268.309 -149.677 -125.567 PRESSAVG: 2826800 -11.9001 26.0043 -72.2053 26.0043 -26.4782 26.6322 -72.2052 26.6321 -7.34329 GPRESSAVG: 2826800 -11.7422 26.851 -69.9496 28.388 -26.9662 29.102 -72.1798 27.2013 -6.60961 TIMING: 2826800 CPU: 8828.97, 0.00314018/step Wall: 8828.97, 0.00314018/step, 1.89562 hours remaining, 235.531250 MB of memory in use. ENERGY: 2826800 3980.5342 20504.0593 14369.6391 248.6899 -203524.2555 2689.6864 0.0000 0.0000 52002.9108 -109728.7357 298.8614 -161731.6466 -109358.3478 298.8593 -101.6364 -80.9355 764695.4515 -15.2405 -15.1060 PRESSURE: 2827000 -52.4733 86.9976 35.5961 86.9975 -283.328 -149.625 35.5953 -149.626 144.988 GPRESSURE: 2827000 -109.672 54.1306 52.3996 159.795 -182.129 -173.711 -6.93571 -163.59 166.186 PRESSAVG: 2827000 -21.4415 -48.3891 -74.942 -48.3891 37.4692 -45.5411 -74.9421 -45.5411 10.3829 GPRESSAVG: 2827000 -21.0629 -47.1455 -74.4297 -49.531 37.5669 -46.4197 -75.5878 -45.826 10.0221 TIMING: 2827000 CPU: 8829.59, 0.00311118/step Wall: 8829.59, 0.00311118/step, 1.87794 hours remaining, 235.531250 MB of memory in use. ENERGY: 2827000 3973.5002 20698.0684 14422.0541 239.0762 -203845.6249 2948.8808 0.0000 0.0000 51973.1507 -109590.8945 298.6904 -161564.0453 -109229.6441 298.7995 -63.6046 -41.8718 762187.5085 8.8035 8.8420 PRESSURE: 2827200 -120.067 31.146 -195.151 31.1464 191.68 -3.64745 -195.151 -3.64731 66.5694 GPRESSURE: 2827200 -54.8712 -10.8899 -197.946 -12.6399 177.679 -67.5821 -178.472 -71.8022 90.6504 PRESSAVG: 2827200 18.5491 -26.9322 34.5452 -26.9323 -16.8907 3.52331 34.5452 3.5233 4.12808 GPRESSAVG: 2827200 17.7848 -30.1107 33.6241 -26.4312 -16.2978 4.21657 37.101 2.00486 4.39803 TIMING: 2827200 CPU: 8830.22, 0.0031371/step Wall: 8830.22, 0.0031371/step, 1.89342 hours remaining, 235.531250 MB of memory in use. ENERGY: 2827200 3961.6056 20448.1656 14388.5893 241.2497 -203464.8790 2736.6682 0.0000 0.0000 52098.3127 -109590.2879 299.4097 -161688.6005 -109227.6170 298.8476 46.0608 71.1529 762582.3265 1.9288 1.9617 PRESSURE: 2827400 25.6748 -379.91 -18.3367 -379.909 -176.546 -22.5547 -18.3361 -22.5554 -13.239 GPRESSURE: 2827400 -57.4298 -312.276 3.30223 -339.789 -53.9724 42.0411 41.0259 -115.219 43.9122 PRESSAVG: 2827400 28.81 -68.5269 -25.4867 -68.5268 -9.88302 -22.6538 -25.4867 -22.6538 -11.8888 GPRESSAVG: 2827400 29.3627 -64.6943 -25.8976 -70.7758 -10.0023 -23.1328 -26.0711 -21.8311 -13.0642 TIMING: 2827400 CPU: 8830.85, 0.00313501/step Wall: 8830.85, 0.00313501/step, 1.89198 hours remaining, 235.531250 MB of memory in use. ENERGY: 2827400 4022.2605 20589.7811 14376.1775 233.3200 -203319.2332 3047.2073 0.0000 0.0000 51927.3218 -109123.1649 298.4270 -161050.4867 -108771.3987 299.4208 -54.7033 -22.4967 762721.2112 2.3461 2.0987 PRESSURE: 2827600 259.512 94.2294 -90.8464 94.23 407.939 -47.5057 -90.847 -47.5072 79.4898 GPRESSURE: 2827600 251.844 204.29 -80.0818 51.1121 496.624 -26.3513 -124.555 -14.866 78.9031 PRESSAVG: 2827600 24.3898 -85.7854 -40.5743 -85.7854 37.6781 -62.8209 -40.5743 -62.8208 13.8479 GPRESSAVG: 2827600 24.6308 -87.8681 -40.3154 -82.6439 38.238 -62.9641 -40.7687 -61.8191 12.8227 TIMING: 2827600 CPU: 8831.47, 0.00310178/step Wall: 8831.47, 0.00310178/step, 1.87175 hours remaining, 235.531250 MB of memory in use. ENERGY: 2827600 3997.5693 20637.3188 14326.1351 235.2225 -203237.3867 2660.2918 0.0000 0.0000 52300.5216 -109080.3277 300.5718 -161380.8492 -108726.1438 299.6495 248.9803 275.7902 762277.9052 25.3053 25.2305 PRESSURE: 2827800 173.985 -46.5159 304.899 -46.5162 -151.282 -263.56 304.9 -263.56 22.2522 GPRESSURE: 2827800 305.634 -140.847 290.687 4.45652 -154.055 -295.56 343.959 -225.353 -25.5841 PRESSAVG: 2827800 12.8366 1.3724 9.17357 1.37242 -16.2683 10.434 9.17358 10.4341 -8.77704 GPRESSAVG: 2827800 13.4808 -0.72004 8.93643 0.683904 -16.6808 9.45121 9.64744 9.18326 -8.39124 TIMING: 2827800 CPU: 8832.1, 0.00316853/step Wall: 8832.1, 0.00316853/step, 1.91186 hours remaining, 235.531250 MB of memory in use. ENERGY: 2827800 4007.7703 20609.7850 14428.3181 238.7661 -202913.4753 2485.3047 0.0000 0.0000 52104.9113 -109038.6198 299.4476 -161143.5311 -108673.3196 299.5445 14.9850 41.9983 763136.4278 -4.0696 -3.8638 PRESSURE: 2828000 -244.215 34.4085 -26.7623 34.4085 -71.8197 48.3401 -26.762 48.3403 67.7498 GPRESSURE: 2828000 -194.414 175.988 -22.923 87.4752 10.1702 25.7012 -17.5707 94.4882 20.7092 PRESSAVG: 2828000 37.5855 -13.7287 47.1659 -13.7286 -2.16683 17.2714 47.1659 17.2715 9.78603 GPRESSAVG: 2828000 36.3366 -11.1257 47.7899 -15.6115 -1.34467 17.1307 47.0354 18.1122 9.6485 TIMING: 2828000 CPU: 8832.73, 0.00313045/step Wall: 8832.73, 0.00313045/step, 1.8887 hours remaining, 235.531250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2828000 3996.6124 20569.7850 14405.9750 241.3726 -202964.1665 2385.8233 0.0000 0.0000 52397.8007 -108966.7975 301.1309 -161364.5982 -108595.5051 300.0734 -82.7615 -54.5115 761727.6123 15.0682 14.8801 PRESSURE: 2828200 58.445 32.196 -146.97 32.1944 7.8535 -77.554 -146.971 -77.5524 18.0889 GPRESSURE: 2828200 119.139 -126.727 -75.5946 -68.2602 46.6407 -1.65811 -174.806 -19.3687 22.6937 PRESSAVG: 2828200 21.4322 -10.8601 -54.9692 -10.8601 5.60072 -24.7813 -54.9692 -24.7812 5.63955 GPRESSAVG: 2828200 20.8428 -10.1072 -55.2161 -9.29673 5.11332 -23.0585 -56.1459 -24.2542 6.6618 TIMING: 2828200 CPU: 8833.35, 0.00313971/step Wall: 8833.35, 0.00313971/step, 1.89411 hours remaining, 235.531250 MB of memory in use. ENERGY: 2828200 3949.8613 20502.5649 14292.0938 251.1932 -203234.5300 2760.1592 0.0000 0.0000 52411.3286 -109067.3290 301.2086 -161478.6576 -108695.9001 299.8364 28.1291 62.8244 763183.6488 10.8908 10.8726 LDB: ============= START OF LOAD BALANCING ============== 8845.83 LDB: ============== END OF LOAD BALANCING =============== 8845.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8845.84 LDB: ============= START OF LOAD BALANCING ============== 8846.15 LDB: Largest compute 7030 load 0.029807 is 15.3% of average load 0.195118 LDB: Average compute 0.004393 is 2.3% of average load 0.195118 LDB: TIME 8846.15 LOAD: AVG 0.195118 MAX 0.219731 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.027 MB LDB: TIME 8846.15 LOAD: AVG 0.195118 MAX 0.219731 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.027 MB LDB: TIME 8846.15 LOAD: AVG 0.195118 MAX 0.217239 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.027 MB LDB: ============== END OF LOAD BALANCING =============== 8846.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8846.16 PRESSURE: 2828400 52.9772 27.3673 -26.4272 27.3668 -27.4019 206.231 -26.4275 206.23 -220.662 GPRESSURE: 2828400 113.426 114.514 -109.455 -164.652 -21.5075 137.073 -15.0376 99.0108 -208.483 PRESSAVG: 2828400 -4.27641 -15.4019 -13.7892 -15.4019 44.4954 26.4455 -13.7893 26.4454 -17.3181 GPRESSAVG: 2828400 -2.69527 -15.2342 -13.9294 -18.721 42.8179 23.9802 -13.231 28.521 -17.9465 TIMING: 2828400 CPU: 8833.99, 0.00319913/step Wall: 8833.99, 0.00319913/step, 1.92979 hours remaining, 234.562500 MB of memory in use. ENERGY: 2828400 4107.3396 20544.7130 14432.9487 226.6080 -203108.0477 2642.6484 0.0000 0.0000 52170.7117 -108983.0783 299.8258 -161153.7900 -108616.3125 299.8980 -65.0289 -38.8549 760879.7304 7.6336 7.3920 PRESSURE: 2828600 152.41 -77.5919 -137.103 -77.5913 -23.557 -99.8414 -137.103 -99.8416 420.697 GPRESSURE: 2828600 179.094 -219.769 -99.2167 21.1759 13.7093 -68.478 -139.872 -39.9442 429.647 PRESSAVG: 2828600 26.9977 9.36673 -15.1683 9.36669 -46.3338 9.7355 -15.1682 9.73553 2.19338 GPRESSAVG: 2828600 25.7924 7.333 -14.2821 11.0126 -44.3332 10.8336 -15.5411 8.22985 1.63827 TIMING: 2828600 CPU: 8834.62, 0.00313831/step Wall: 8834.62, 0.00313831/step, 1.89292 hours remaining, 234.761719 MB of memory in use. ENERGY: 2828600 3957.7888 20619.2676 14504.2410 240.5473 -203025.5621 2573.4887 0.0000 0.0000 52185.1785 -108945.0501 299.9089 -161130.2286 -108576.0366 300.3254 183.1832 207.4833 761977.9337 -5.7142 -5.6342 PRESSURE: 2828800 31.6268 108.878 37.6859 108.878 -30.9527 -135.61 37.6859 -135.608 -265.155 GPRESSURE: 2828800 -23.331 91.3645 55.1535 167.22 15.0259 -165.98 -6.80391 -93.184 -190.106 PRESSAVG: 2828800 9.40373 13.6475 21.2918 13.6474 -15.8589 -14.4897 21.2919 -14.4897 34.3352 GPRESSAVG: 2828800 9.21056 15.1623 21.1784 15.2649 -16.81 -15.3095 20.3545 -16.803 35.3896 TIMING: 2828800 CPU: 8835.25, 0.0031421/step Wall: 8835.25, 0.0031421/step, 1.89504 hours remaining, 234.761719 MB of memory in use. ENERGY: 2828800 4027.5479 20588.3583 14387.1823 243.5852 -202949.1305 2312.3431 0.0000 0.0000 52310.1147 -109079.9990 300.6269 -161390.1137 -108723.4603 300.1332 -88.1603 -66.1370 761693.3011 9.2934 9.2634 PRESSURE: 2829000 37.7006 164.501 -250.997 164.502 -56.4446 -220.306 -250.997 -220.306 161.468 GPRESSURE: 2829000 91.916 160.585 -210.034 97.3608 -51.5847 -213.703 -177.033 -215.544 206.41 PRESSAVG: 2829000 -12.529 21.3313 22.2212 21.3313 16.6168 0.1541 22.2212 0.154076 20.5995 GPRESSAVG: 2829000 -13.7355 18.5834 21.6634 21.5868 17.3498 0.555204 23.0376 2.63242 21.0336 TIMING: 2829000 CPU: 8835.88, 0.003138/step Wall: 8835.88, 0.003138/step, 1.89239 hours remaining, 234.761719 MB of memory in use. ENERGY: 2829000 4039.2341 20558.3506 14482.5998 237.8123 -203042.9119 2614.3975 0.0000 0.0000 51964.2959 -109146.2217 298.6395 -161110.5176 -108788.1354 299.6726 47.5745 82.2472 761074.4181 8.2291 8.2160 PRESSURE: 2829200 -639.655 -83.4081 -192.998 -83.4078 -36.1887 -58.0693 -192.998 -58.0696 -488.35 GPRESSURE: 2829200 -523.068 -88.5986 -148.608 -114.344 -14.1793 -120.172 -204.458 -93.2196 -549.636 PRESSAVG: 2829200 46.4833 -54.0138 -38.5867 -54.0138 -23.2649 -9.28891 -38.5867 -9.28892 -9.82898 GPRESSAVG: 2829200 48.1846 -53.4154 -38.3332 -55.7903 -22.889 -8.68567 -37.9205 -11.7238 -12.1741 TIMING: 2829200 CPU: 8836.5, 0.00313645/step Wall: 8836.5, 0.00313645/step, 1.89128 hours remaining, 234.761719 MB of memory in use. ENERGY: 2829200 4060.2625 20488.4131 14413.0246 240.7203 -202862.4972 2198.4534 0.0000 0.0000 52268.3194 -109193.3040 300.3867 -161461.6234 -108831.1005 299.3868 -388.0646 -362.2946 761792.4043 4.4631 4.3738 PRESSURE: 2829400 -58.3721 107.591 -53.4145 107.591 -88.4347 153.583 -53.4147 153.583 157.794 GPRESSURE: 2829400 -75.7371 160.143 -73.6246 14.7148 26.663 138.449 60.121 160.031 171.77 PRESSAVG: 2829400 18.1473 -0.532456 -34.8369 -0.532424 -46.961 -9.58091 -34.8369 -9.58096 -0.382086 GPRESSAVG: 2829400 17.5631 1.72698 -34.5301 0.359563 -47.7526 -10.7571 -34.7023 -7.25903 0.872975 TIMING: 2829400 CPU: 8837.13, 0.00312593/step Wall: 8837.13, 0.00312594/step, 1.88477 hours remaining, 234.761719 MB of memory in use. ENERGY: 2829400 3942.5458 20563.7752 14448.8061 246.1774 -203163.3115 2533.9501 0.0000 0.0000 51967.1866 -109460.8703 298.6561 -161428.0569 -109093.4904 299.3813 3.6623 40.8986 762732.7146 -9.7319 -9.7722 PRESSURE: 2829600 -147.71 -30.432 96.555 -30.4331 -284.974 42.1629 96.5555 42.1627 184.055 GPRESSURE: 2829600 -107.58 -123.608 85.6369 -34.4514 -225.528 28.5182 3.07091 97.6005 178.631 PRESSAVG: 2829600 -41.409 -63.6252 5.03943 -63.6252 -0.990429 18.2188 5.03935 18.2188 -9.10298 GPRESSAVG: 2829600 -40.8525 -64.7358 6.21348 -62.9542 -0.362457 17.7955 4.60793 18.0248 -9.88142 TIMING: 2829600 CPU: 8837.76, 0.00314872/step Wall: 8837.76, 0.00314872/step, 1.89833 hours remaining, 234.761719 MB of memory in use. ENERGY: 2829600 4015.9933 20521.7937 14471.7869 247.1239 -203199.5998 2707.3253 0.0000 0.0000 51963.3179 -109272.2587 298.6339 -161235.5767 -108921.0671 298.7513 -82.8765 -51.4924 763179.7677 -17.1675 -17.0321 PRESSURE: 2829800 -156.749 -34.5367 -93.5414 -34.5368 -15.0235 96.9009 -93.5416 96.9017 -143.805 GPRESSURE: 2829800 -123.384 -90.8008 -39.5089 -125.726 -33.6785 124.413 -56.484 11.0105 -74.6024 PRESSAVG: 2829800 -16.5209 -17.6021 -10.6128 -17.602 3.92744 -18.5326 -10.6128 -18.5327 28.3041 GPRESSAVG: 2829800 -16.5048 -16.2863 -9.9389 -18.7309 2.66891 -17.3798 -10.9211 -20.7702 29.0693 TIMING: 2829800 CPU: 8838.39, 0.00316349/step Wall: 8838.39, 0.00316349/step, 1.90706 hours remaining, 234.761719 MB of memory in use. ENERGY: 2829800 3926.1300 20615.4438 14452.2152 242.8846 -203055.5168 2584.5063 0.0000 0.0000 52048.5963 -109185.7406 299.1240 -161234.3369 -108828.5749 299.5561 -105.1923 -77.2216 763664.5747 5.2369 5.0778 PRESSURE: 2830000 -213.418 -16.2328 185.01 -16.231 -28.9782 126.601 185.009 126.601 -234.973 GPRESSURE: 2830000 -215.301 37.9833 114.228 -154.142 -5.59904 84.5424 150.17 38.2564 -186.58 PRESSAVG: 2830000 -35.5011 -27.49 -10.0089 -27.4899 36.5989 52.169 -10.0089 52.1689 7.15516 GPRESSAVG: 2830000 -34.488 -28.3065 -10.7081 -25.2836 36.6356 52.2088 -11.2764 51.2611 6.10503 TIMING: 2830000 CPU: 8839.02, 0.00314243/step Wall: 8839.02, 0.00314243/step, 1.89419 hours remaining, 234.761719 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: 2830000 4006.5746 20336.8020 14545.1244 248.1852 -202802.3259 2403.9059 0.0000 0.0000 52217.6507 -109044.0830 300.0956 -161261.7337 -108695.0219 299.2031 -159.1231 -135.8269 763270.4025 2.7510 2.7509 PRESSURE: 2830200 -289.153 -63.2236 -189.864 -63.222 -391.85 -8.94476 -189.863 -8.9459 384.817 GPRESSURE: 2830200 -213.305 -76.238 -48.6594 -60.7009 -355.886 -24.9831 -224.138 23.4121 367.025 PRESSAVG: 2830200 -5.16617 12.6539 44.4385 12.6539 30.8447 -33.4244 44.4385 -33.4245 6.13102 GPRESSAVG: 2830200 -6.94006 13.0388 44.9751 11.3978 31.7636 -35.7778 45.0621 -29.1183 7.01314 TIMING: 2830200 CPU: 8839.65, 0.00314451/step Wall: 8839.65, 0.00314451/step, 1.89526 hours remaining, 234.761719 MB of memory in use. ENERGY: 2830200 3992.9341 20470.5236 14473.5477 250.3519 -203094.4781 2564.4765 0.0000 0.0000 52125.2144 -109217.4299 299.5643 -161342.6443 -108855.0517 299.0657 -98.7288 -67.3891 762051.3005 10.6032 10.6122 PRESSURE: 2830400 74.2702 -170.67 -89.1841 -170.67 16.6067 60.3815 -89.1843 60.3807 322.64 GPRESSURE: 2830400 172.588 -80.2269 -65.2733 -124.298 18.4831 -17.5802 -95.5328 54.7001 306.898 PRESSAVG: 2830400 48.3033 27.739 -1.29825 27.739 -64.7827 -0.368273 -1.2982 -0.368269 17.2552 GPRESSAVG: 2830400 48.3683 26.7905 -3.48718 28.0723 -65.1843 0.891822 -1.92956 -0.476807 17.145 TIMING: 2830400 CPU: 8840.27, 0.00311088/step Wall: 8840.27, 0.00311088/step, 1.87483 hours remaining, 234.761719 MB of memory in use. ENERGY: 2830400 3954.4350 20422.6531 14382.6732 243.6348 -203410.0799 2891.5084 0.0000 0.0000 52321.5572 -109193.6182 300.6927 -161515.1754 -108829.1553 299.5497 137.8389 165.9896 761174.5313 0.2586 0.1097 PRESSURE: 2830600 -430.165 -45.5425 -81.65 -45.5414 -142.105 -70.4222 -81.6503 -70.4227 -477.6 GPRESSURE: 2830600 -331.547 -213.919 -67.9937 -31.411 -156.132 -24.4661 -23.271 -119.641 -492.854 PRESSAVG: 2830600 46.2161 -26.9171 -51.2426 -26.9172 -18.4091 -11.7211 -51.2426 -11.7211 8.66265 GPRESSAVG: 2830600 45.4357 -25.6619 -50.144 -27.3655 -17.7759 -11.4579 -49.3403 -15.7666 8.8221 TIMING: 2830600 CPU: 8840.9, 0.00313199/step Wall: 8840.9, 0.00313199/step, 1.88737 hours remaining, 234.761719 MB of memory in use. ENERGY: 2830600 3903.7862 20438.7703 14420.0677 257.5783 -202762.0182 2325.0596 0.0000 0.0000 52085.8821 -109330.8740 299.3383 -161416.7561 -108953.6629 299.0698 -349.9566 -326.8444 763415.7679 12.1566 12.1606 PRESSURE: 2830800 84.6975 65.8478 152.001 65.8476 35.508 48.2018 152.001 48.2019 -96.9326 GPRESSURE: 2830800 114.173 23.0058 149.43 -41.1326 106.065 35.1399 107.95 81.2932 -123.186 PRESSAVG: 2830800 26.6789 -61.2166 -11.1165 -61.2166 8.54233 2.9195 -11.1165 2.91955 -10.2198 GPRESSAVG: 2830800 27.9407 -59.8233 -10.9228 -61.8053 7.46218 2.55935 -11.4027 6.90427 -10.8579 TIMING: 2830800 CPU: 8841.52, 0.00311513/step Wall: 8841.52, 0.00311513/step, 1.87704 hours remaining, 234.761719 MB of memory in use. ENERGY: 2830800 3957.8067 20537.7939 14432.0332 243.9530 -203218.7556 2521.2473 0.0000 0.0000 52262.3452 -109263.5762 300.3524 -161525.9214 -108899.7849 299.4017 7.7576 32.3508 761126.6327 8.3338 8.1817 PRESSURE: 2831000 -116.03 -165.681 -169.824 -165.68 74.1098 264.223 -169.824 264.223 -22.7134 GPRESSURE: 2831000 -38.7061 -271.924 -161.516 -211.501 102.658 236.58 -126.033 83.6498 -23.4393 PRESSAVG: 2831000 -13.8229 -36.9851 -20.0685 -36.9851 32.3954 14.6318 -20.0686 14.6318 -9.98211 GPRESSAVG: 2831000 -15.4956 -38.7873 -20.8684 -34.7533 32.716 13.7191 -19.0436 12.2901 -8.28325 TIMING: 2831000 CPU: 8842.14, 0.00310895/step Wall: 8842.14, 0.00310895/step, 1.87314 hours remaining, 234.761719 MB of memory in use. ENERGY: 2831000 3989.3041 20442.5740 14429.0305 241.5477 -202908.5980 2547.7061 0.0000 0.0000 52049.8537 -109208.5818 299.1312 -161258.4355 -108853.1787 299.4613 -21.5446 13.5041 761284.0908 2.8635 2.9790 PRESSURE: 2831200 97.5614 147.337 -168.987 147.337 3.34626 125.401 -168.988 125.402 -30.9846 GPRESSURE: 2831200 56.8735 86.7297 -113.13 39.9166 9.74447 137.15 -195.077 95.1222 67.2309 PRESSAVG: 2831200 -31.8367 8.5467 -25.7749 8.5467 12.1651 3.679 -25.7749 3.67903 -9.55356 GPRESSAVG: 2831200 -30.688 8.87014 -26.2002 6.30856 11.6131 3.57564 -26.3838 6.44108 -9.73475 TIMING: 2831200 CPU: 8842.77, 0.00314256/step Wall: 8842.77, 0.00314256/step, 1.89322 hours remaining, 234.761719 MB of memory in use. ENERGY: 2831200 3904.4102 20449.6241 14442.1875 247.6801 -203624.8322 3007.6330 0.0000 0.0000 52382.4696 -109190.8278 301.0428 -161573.2973 -108814.0096 299.4849 23.3077 44.6163 762828.8973 -9.7417 -9.6032 PRESSURE: 2831400 430.909 -28.6742 -223.017 -28.6728 109.048 161.853 -223.017 161.853 372.756 GPRESSURE: 2831400 412.722 -50.9941 -215.934 -107.294 280.07 185.453 -191.921 146.328 317.048 PRESSAVG: 2831400 -24.8125 -5.1834 -10.3319 -5.1834 -17.5673 32.2686 -10.3319 32.2686 12.2258 GPRESSAVG: 2831400 -25.4156 -4.0888 -9.80137 -4.04121 -16.4928 33.0822 -10.8418 30.2247 11.0627 TIMING: 2831400 CPU: 8843.4, 0.00314902/step Wall: 8843.4, 0.00314902/step, 1.89693 hours remaining, 234.761719 MB of memory in use. ENERGY: 2831400 3920.4342 20476.1991 14403.2218 255.4251 -203372.0034 3066.0851 0.0000 0.0000 51984.8385 -109265.7996 298.7576 -161250.6381 -108910.2686 299.1231 304.2379 336.6134 761990.8180 -10.0514 -10.2819 PRESSURE: 2831600 -133.658 92.52 39.7654 92.5202 180.698 116.403 39.7657 116.404 345.77 GPRESSURE: 2831600 -63.8697 94.5269 50.854 95.7108 208.069 19.2961 -3.2115 65.1542 354.958 PRESSAVG: 2831600 -58.1433 15.3509 -15.2871 15.3509 49.1159 -4.64221 -15.2872 -4.64223 -20.7578 GPRESSAVG: 2831600 -57.0597 14.2077 -15.7783 15.842 47.2343 -3.62277 -14.4698 -7.14479 -20.1854 TIMING: 2831600 CPU: 8844.03, 0.00312628/step Wall: 8844.03, 0.00312627/step, 1.88306 hours remaining, 234.761719 MB of memory in use. ENERGY: 2831600 3949.0023 20427.9766 14426.3600 240.8697 -203465.4593 3057.7954 0.0000 0.0000 52041.4461 -109322.0093 299.0829 -161363.4553 -108959.3912 299.2510 130.9366 166.3860 763216.7903 -9.9284 -10.0036 PRESSURE: 2831800 -279.638 -97.4749 27.0892 -97.475 -296.766 -216.779 27.0895 -216.778 -372.146 GPRESSURE: 2831800 -220.52 -82.537 21.7449 -79.4951 -196.659 -178.099 -110.488 -155.761 -430.371 PRESSAVG: 2831800 -5.37293 37.7951 -18.0792 37.7951 6.99965 15.8168 -18.0793 15.8168 30.5212 GPRESSAVG: 2831800 -5.65493 38.5056 -18.3524 38.6259 7.24041 14.324 -17.399 18.4234 30.5015 TIMING: 2831800 CPU: 8844.65, 0.00312729/step Wall: 8844.65, 0.00312729/step, 1.8835 hours remaining, 234.761719 MB of memory in use. ENERGY: 2831800 4031.7835 20372.5883 14367.8162 257.8045 -202920.8904 2650.3079 0.0000 0.0000 51908.9230 -109331.6669 298.3213 -161240.5899 -108970.2630 299.0932 -316.1833 -282.5167 762327.8677 10.7160 10.6957 PRESSURE: 2832000 195.765 -5.17622 -6.59568 -5.17529 -348.098 -96.6011 -6.59641 -96.6014 -478.033 GPRESSURE: 2832000 214.03 52.4691 47.7979 72.7827 -278.634 -46.0068 50.7931 -148.602 -470.286 PRESSAVG: 2832000 27.1499 5.58955 -6.59101 5.58958 0.773352 28.543 -6.59102 28.5429 5.88788 GPRESSAVG: 2832000 26.1351 4.36739 -6.04843 5.32336 2.18895 27.0208 -10.0181 29.0886 5.42924 TIMING: 2832000 CPU: 8845.27, 0.00311037/step Wall: 8845.27, 0.00311037/step, 1.87313 hours remaining, 234.761719 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: 2832000 4010.0839 20488.4579 14364.9821 258.5837 -203492.4872 2824.0933 0.0000 0.0000 52085.8147 -109460.4715 299.3379 -161546.2862 -109096.7505 298.5106 -210.1218 -178.2967 763025.9898 11.2704 11.2511 PRESSURE: 2832200 -200.002 173.712 -206.733 173.711 -107.298 -131.543 -206.733 -131.543 56.3863 GPRESSURE: 2832200 -82.896 159.14 -205.769 159.406 -196.661 -145.265 -97.1534 -90.8458 123.986 PRESSAVG: 2832200 29.6564 3.1458 -28.7644 3.14578 -2.97304 5.97403 -28.7644 5.97404 -8.74467 GPRESSAVG: 2832200 29.8698 5.3022 -28.5929 3.72459 -4.42719 7.89752 -26.4769 4.77467 -7.11013 TIMING: 2832200 CPU: 8845.9, 0.00310643/step Wall: 8845.9, 0.00310643/step, 1.87059 hours remaining, 234.761719 MB of memory in use. ENERGY: 2832200 4046.3289 20538.4310 14401.9461 241.8340 -203073.6808 2324.7716 0.0000 0.0000 52036.1424 -109484.2268 299.0524 -161520.3692 -109127.1939 299.5198 -83.6380 -51.8567 761072.2234 5.9796 6.1108 LDB: ============= START OF LOAD BALANCING ============== 8858.37 LDB: ============== END OF LOAD BALANCING =============== 8858.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8858.38 LDB: ============= START OF LOAD BALANCING ============== 8858.69 LDB: Largest compute 7030 load 0.031268 is 16.0% of average load 0.195190 LDB: Average compute 0.004405 is 2.3% of average load 0.195190 LDB: TIME 8858.69 LOAD: AVG 0.19519 MAX 0.217995 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.051 MB LDB: TIME 8858.69 LOAD: AVG 0.19519 MAX 0.217995 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.055 MB LDB: TIME 8858.69 LOAD: AVG 0.19519 MAX 0.215588 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.055 MB LDB: ============== END OF LOAD BALANCING =============== 8858.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8858.7 PRESSURE: 2832400 -203.119 95.0888 -83.4766 95.0901 -27.2487 -71.8146 -83.4765 -71.8157 -274.69 GPRESSURE: 2832400 -229.914 61.789 -117.547 45.1268 82.2207 -73.6274 24.6146 -40.9053 -263.437 PRESSAVG: 2832400 -34.4955 -28.308 -17.7327 -28.308 -31.5373 21.9973 -17.7327 21.9973 -12.0189 GPRESSAVG: 2832400 -34.0962 -30.7099 -18.9717 -29.288 -30.4895 23.2549 -17.4187 21.7971 -13.5941 TIMING: 2832400 CPU: 8846.53, 0.00318277/step Wall: 8846.53, 0.00318277/step, 1.91638 hours remaining, 234.109375 MB of memory in use. ENERGY: 2832400 4004.7230 20477.3330 14381.5285 251.1848 -203247.9513 2659.0749 0.0000 0.0000 51887.4762 -109586.6308 298.1980 -161474.1070 -109226.9004 298.4793 -168.3525 -137.0433 761490.9207 -26.0172 -26.0599 PRESSURE: 2832600 244.923 -146.15 -0.0464843 -146.151 236.932 126.697 -0.0465419 126.698 106.369 GPRESSURE: 2832600 235.197 -184.976 17.4358 -103.385 259.401 96.2918 78.6678 134.576 174.304 PRESSAVG: 2832600 10.7294 -12.961 -11.4849 -12.961 -37.0019 -31.9367 -11.485 -31.9367 -9.09492 GPRESSAVG: 2832600 10.0492 -11.0891 -11.4344 -14.7497 -36.274 -32.7507 -10.4091 -30.1489 -9.41188 TIMING: 2832600 CPU: 8847.15, 0.00310307/step Wall: 8847.15, 0.00310307/step, 1.86822 hours remaining, 234.312500 MB of memory in use. ENERGY: 2832600 3987.8484 20406.9496 14412.1319 236.0630 -203581.4881 2959.9752 0.0000 0.0000 52015.0106 -109563.5094 298.9310 -161578.5200 -109209.2467 298.4494 196.0747 222.9674 761262.5088 -11.7891 -11.8789 PRESSURE: 2832800 25.9607 -313.203 -22.7358 -313.203 34.5055 122.767 -22.7364 122.767 25.8909 GPRESSURE: 2832800 60.5418 -337.863 -6.0028 -291.664 55.3571 84.9772 36.5215 -19.1891 60.3571 PRESSAVG: 2832800 -11.8002 -66.7924 -8.59987 -66.7925 -2.60174 16.3562 -8.59981 16.3563 1.63353 GPRESSAVG: 2832800 -11.2731 -66.9715 -8.55615 -66.0064 -3.97683 17.0399 -11.2854 12.9585 1.80032 TIMING: 2832800 CPU: 8847.77, 0.00310464/step Wall: 8847.77, 0.00310464/step, 1.869 hours remaining, 234.312500 MB of memory in use. ENERGY: 2832800 3945.7945 20447.0835 14397.2404 245.1069 -203318.4669 2779.5480 0.0000 0.0000 52090.8798 -109412.8137 299.3670 -161503.6935 -109043.7924 298.7067 28.7857 58.7520 762135.6772 -4.2561 -4.4832 PRESSURE: 2833000 -94.2951 182.83 -194.646 182.83 -59.3434 -258.178 -194.646 -258.177 -358.493 GPRESSURE: 2833000 -32.9354 62.6724 -100.057 71.4747 -50.2262 -250.048 -214.86 -225.381 -317.653 PRESSAVG: 2833000 -7.07221 -34.4644 14.046 -34.4643 19.9208 -3.77987 14.046 -3.77986 7.3111 GPRESSAVG: 2833000 -5.85016 -35.8941 13.7087 -34.8167 18.9285 -5.4171 14.9546 -1.17102 7.81168 TIMING: 2833000 CPU: 8848.39, 0.00309867/step Wall: 8848.39, 0.00309867/step, 1.86523 hours remaining, 234.312500 MB of memory in use. ENERGY: 2833000 4068.6752 20549.6996 14411.7878 253.4041 -203174.8355 2538.6284 0.0000 0.0000 52162.4212 -109190.2191 299.7782 -161352.6403 -108832.7602 298.7739 -170.7104 -133.6048 763787.8837 6.7199 6.9634 PRESSURE: 2833200 121.4 -164.706 -413.93 -164.706 -250.791 13.5764 -413.929 13.5761 377.218 GPRESSURE: 2833200 101.02 -82.4858 -461.946 -150.944 -203.517 58.5962 -248.215 -113.71 403.112 PRESSAVG: 2833200 -43.7604 -29.4284 -11.4283 -29.4283 -12.498 -15.9708 -11.4282 -15.9708 2.08472 GPRESSAVG: 2833200 -44.3201 -27.8143 -11.0912 -26.9853 -11.3519 -15.2911 -10.652 -16.6891 1.56886 TIMING: 2833200 CPU: 8849.02, 0.00311084/step Wall: 8849.02, 0.00311084/step, 1.87238 hours remaining, 234.312500 MB of memory in use. ENERGY: 2833200 3972.2430 20532.4957 14367.8523 266.5248 -203019.1328 2591.3305 0.0000 0.0000 51983.6237 -109305.0629 298.7506 -161288.6865 -108941.5761 299.3272 82.6092 100.2049 764564.8011 -18.0579 -18.0344 PRESSURE: 2833400 -139.989 -35.3691 134.028 -35.3684 -187.377 -1.0473 134.029 -1.04639 -67.1377 GPRESSURE: 2833400 -66.2599 -146.57 206.035 91.9069 -98.4424 107.753 -46.3347 8.12841 -162.201 PRESSAVG: 2833400 7.22032 -70.3364 29.2235 -70.3363 46.104 8.63849 29.2235 8.63851 14.3486 GPRESSAVG: 2833400 6.55063 -70.0989 28.9049 -72.7963 46.9593 10.5814 31.4335 8.48239 14.6455 TIMING: 2833400 CPU: 8849.64, 0.00310694/step Wall: 8849.64, 0.00310694/step, 1.86986 hours remaining, 234.312500 MB of memory in use. ENERGY: 2833400 4008.5091 20503.4538 14400.0163 248.1215 -202884.5065 2561.2911 0.0000 0.0000 51953.4011 -109209.7137 298.5769 -161163.1148 -108851.5367 299.2302 -131.5014 -108.9679 763973.9989 22.5576 22.7185 PRESSURE: 2833600 -145.092 125.116 35.2476 125.116 307.046 5.58601 35.2477 5.58619 232.526 GPRESSURE: 2833600 -160.874 122.825 99.2232 67.1158 328.667 28.7853 -22.9523 -19.1056 308.401 PRESSAVG: 2833600 -43.2793 15.3398 1.23466 15.3398 51.8717 -3.38635 1.23467 -3.38632 -9.95479 GPRESSAVG: 2833600 -42.4081 13.4971 1.50348 17.3016 50.929 -5.866 -0.339326 -1.85494 -10.2132 TIMING: 2833600 CPU: 8850.26, 0.00310392/step Wall: 8850.26, 0.00310392/step, 1.86787 hours remaining, 234.312500 MB of memory in use. ENERGY: 2833600 3928.1869 20459.9097 14332.6917 221.6267 -203373.1812 2849.3907 0.0000 0.0000 52109.4117 -109471.9637 299.4735 -161581.3754 -109110.5315 299.2715 131.4933 158.7315 763117.9214 -0.4541 -0.5641 PRESSURE: 2833800 79.8041 203.776 -157.525 203.776 210.065 -76.8659 -157.525 -76.8655 36.4011 GPRESSURE: 2833800 133.718 172.237 -88.1517 186.691 269.655 -100.144 -78.756 51.5596 0.6434 PRESSAVG: 2833800 4.63607 11.9699 -24.9075 11.9699 29.4187 -34.0424 -24.9075 -34.0424 8.23972 GPRESSAVG: 2833800 3.15969 11.0881 -24.8477 12.0914 31.1265 -33.4088 -24.5677 -33.9402 7.77386 TIMING: 2833800 CPU: 8850.88, 0.0031076/step Wall: 8850.88, 0.00310759/step, 1.86991 hours remaining, 234.312500 MB of memory in use. ENERGY: 2833800 3935.6063 20404.7716 14404.6153 259.8670 -203479.2925 2699.9572 0.0000 0.0000 52143.8187 -109630.6564 299.6712 -161774.4751 -109263.3701 298.7797 108.7567 134.6722 761500.7144 14.0982 14.0200 PRESSURE: 2834000 -227.937 28.6375 -223.48 28.6379 -476.875 -159.579 -223.481 -159.578 -141.468 GPRESSURE: 2834000 -117.026 136.723 -267.322 38.4598 -502.327 -100.398 -181.727 -97.7979 -122.081 PRESSAVG: 2834000 51.191 -0.834568 -37.2024 -0.834593 -30.6831 -54.341 -37.2024 -54.341 -5.56942 GPRESSAVG: 2834000 52.3365 2.03758 -37.6685 -1.05929 -32.7587 -53.5054 -37.8507 -53.411 -4.55863 TIMING: 2834000 CPU: 8851.5, 0.00311034/step Wall: 8851.5, 0.00311034/step, 1.87139 hours remaining, 234.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2834000 4003.9954 20519.7006 14276.1828 254.6233 -202797.0702 2257.8427 0.0000 0.0000 52085.8389 -109398.8865 299.3380 -161484.7254 -109039.2866 299.0390 -282.0936 -247.1447 763144.6842 4.9795 5.0064 PRESSURE: 2834200 -110.119 7.52876 15.652 7.52955 -227.622 -213.463 15.6523 -213.464 -58.8681 GPRESSURE: 2834200 -74.1751 -2.88566 -12.2512 41.2477 -247.502 -241.49 32.1033 -260.134 12.2863 PRESSAVG: 2834200 -10.8698 -2.84666 -2.37212 -2.84668 -44.1623 -30.3708 -2.37216 -30.3707 12.8334 GPRESSAVG: 2834200 -11.4181 -5.35779 -1.68611 -3.20174 -43.1241 -29.7554 -1.95941 -32.9851 11.9042 TIMING: 2834200 CPU: 8852.12, 0.00311245/step Wall: 8852.12, 0.00311245/step, 1.87249 hours remaining, 234.312500 MB of memory in use. ENERGY: 2834200 3969.8494 20469.2680 14391.4725 239.6643 -203020.6152 2522.2062 0.0000 0.0000 51928.3096 -109499.8452 298.4327 -161428.1549 -109132.8774 298.5057 -132.2029 -103.1301 763118.8580 -14.0662 -14.2127 PRESSURE: 2834400 149.788 39.7892 -96.2362 39.7889 -233.55 -180.193 -96.2363 -180.192 416.773 GPRESSURE: 2834400 158.063 -5.78064 -55.3182 9.47693 -142.264 -164.738 -86.9426 -248.927 404.887 PRESSAVG: 2834400 49.7356 -74.1981 -8.11463 -74.1981 3.73165 -49.6384 -8.11457 -49.6384 3.72345 GPRESSAVG: 2834400 50.0919 -72.859 -7.64665 -74.4811 3.1488 -50.914 -10.6035 -50.6054 3.65428 TIMING: 2834400 CPU: 8852.75, 0.00312126/step Wall: 8852.75, 0.00312127/step, 1.87761 hours remaining, 234.312500 MB of memory in use. ENERGY: 2834400 4017.6256 20525.4062 14454.6720 246.4841 -203222.4190 2761.7469 0.0000 0.0000 51845.6581 -109370.8260 297.9577 -161216.4842 -109021.9943 298.5883 111.0035 140.2289 761936.4337 19.0636 18.9650 PRESSURE: 2834600 -424.43 176.665 151.364 176.665 -150.344 -40.3222 151.365 -40.3231 -157.661 GPRESSURE: 2834600 -337.698 150.098 82.0814 85.8624 -190.995 -175.009 182.841 37.4982 -137.229 PRESSAVG: 2834600 6.90541 -29.7084 67.0751 -29.7084 17.4515 -45.2819 67.0751 -45.2819 19.6357 GPRESSAVG: 2834600 7.01891 -29.7338 65.6537 -29.9105 17.8838 -45.6397 68.2637 -46.0434 18.9674 TIMING: 2834600 CPU: 8853.37, 0.00311431/step Wall: 8853.37, 0.00311431/step, 1.87326 hours remaining, 234.312500 MB of memory in use. ENERGY: 2834600 4001.8775 20412.4527 14437.1000 244.2789 -203732.8776 2879.6589 0.0000 0.0000 52235.0932 -109522.4164 300.1958 -161757.5096 -109168.3359 299.0075 -244.1453 -221.9738 762573.7220 14.6642 14.6234 PRESSURE: 2834800 -256.825 19.3851 164.547 19.384 -426.965 42.9902 164.547 42.9913 -124.333 GPRESSURE: 2834800 -240.095 25.5574 143.9 -24.0981 -379.283 66.6426 172.626 -54.5206 -103.433 PRESSAVG: 2834800 -9.34239 -29.4995 0.223996 -29.4996 44.9082 2.62839 0.22401 2.62842 1.99503 GPRESSAVG: 2834800 -8.66989 -29.2683 1.48322 -31.0516 44.9632 3.55045 1.29816 3.91365 1.32292 TIMING: 2834800 CPU: 8853.99, 0.00311639/step Wall: 8853.99, 0.00311639/step, 1.87433 hours remaining, 234.312500 MB of memory in use. ENERGY: 2834800 3980.9892 20434.2155 14398.3553 217.7603 -203559.9048 2779.3231 0.0000 0.0000 52173.7097 -109575.5517 299.8430 -161749.2615 -109217.7306 298.8162 -269.3744 -240.9368 762615.9536 12.5203 12.5387 PRESSURE: 2835000 127.661 -0.100726 176.418 -0.10032 366.403 10.6157 176.417 10.6149 440.605 GPRESSURE: 2835000 210.674 40.1789 218.861 105.234 358.533 33.3592 56.5895 -52.95 478.025 PRESSAVG: 2835000 29.9871 -14.0743 -18.5161 -14.0743 -27.0647 21.4198 -18.5161 21.4197 -12.283 GPRESSAVG: 2835000 28.8196 -15.3928 -20.3439 -12.0512 -26.6601 19.5316 -18.7789 21.731 -11.8008 TIMING: 2835000 CPU: 8854.62, 0.00313163/step Wall: 8854.62, 0.00313163/step, 1.88333 hours remaining, 234.312500 MB of memory in use. ENERGY: 2835000 3902.5009 20451.7163 14450.8095 221.5295 -203575.2726 2818.9343 0.0000 0.0000 52282.9649 -109446.8170 300.4709 -161729.7820 -109083.0258 298.1233 311.5564 349.0775 762559.3386 -3.1202 -3.2138 PRESSURE: 2835200 14.3412 -122.576 162.409 -122.575 -306.113 -34.3913 162.41 -34.3905 -62.213 GPRESSURE: 2835200 45.5089 -87.8164 30.7806 -75.4488 -268.245 -33.9374 158.881 39.5309 -45.0332 PRESSAVG: 2835200 -7.0784 17.6022 -3.9955 17.6023 25.9851 1.70102 -3.99546 1.70094 -16.1572 GPRESSAVG: 2835200 -6.11422 19.4122 -2.31973 17.3204 25.0919 1.05253 -4.76735 2.05089 -15.9605 TIMING: 2835200 CPU: 8855.24, 0.00311758/step Wall: 8855.24, 0.00311758/step, 1.87471 hours remaining, 234.312500 MB of memory in use. ENERGY: 2835200 4021.7994 20485.7897 14491.9119 250.6530 -203189.7889 2711.0927 0.0000 0.0000 51885.4467 -109343.0955 298.1864 -161228.5422 -108990.4636 298.9192 -117.9950 -89.2564 763333.4313 0.9165 1.0057 PRESSURE: 2835400 65.0559 -66.5162 -268.824 -66.5165 231.599 25.413 -268.825 25.413 -24.6264 GPRESSURE: 2835400 74.6288 -24.6342 -175.482 -1.82362 354.482 53.6001 -185.046 123.585 -72.0219 PRESSAVG: 2835400 -15.7761 -30.6462 -17.4492 -30.6461 46.8993 -0.465179 -17.4492 -0.465115 6.54047 GPRESSAVG: 2835400 -16.4508 -32.4828 -16.7477 -30.7487 47.5722 4.19321 -17.6699 1.03245 6.55626 TIMING: 2835400 CPU: 8855.86, 0.0031048/step Wall: 8855.86, 0.0031048/step, 1.86685 hours remaining, 234.312500 MB of memory in use. ENERGY: 2835400 3972.0845 20314.3925 14427.1572 241.8982 -203207.3240 2782.1891 0.0000 0.0000 52226.1459 -109243.4565 300.1444 -161469.6024 -108862.6691 298.6259 90.6761 119.0296 764284.8618 12.5546 12.5592 PRESSURE: 2835600 -105.584 -63.7835 23.8859 -63.7837 -131.671 61.7275 23.8852 61.7273 46.4038 GPRESSURE: 2835600 -40.2187 -42.5557 -58.0699 -101.171 -60.3685 91.2625 51.9995 -146.171 6.24248 PRESSAVG: 2835600 -27.1072 -5.74995 1.89507 -5.74989 -40.4153 -16.0738 1.89507 -16.0738 -6.9564 GPRESSAVG: 2835600 -25.5125 -4.48072 -0.119975 -6.60714 -41.0463 -18.8182 4.05896 -16.158 -7.20938 TIMING: 2835600 CPU: 8856.49, 0.00311818/step Wall: 8856.49, 0.00311818/step, 1.87472 hours remaining, 234.312500 MB of memory in use. ENERGY: 2835600 3904.7607 20554.8801 14378.4238 236.2012 -203456.2158 3063.4032 0.0000 0.0000 51976.3125 -109342.2344 298.7086 -161318.5468 -108978.2355 298.2489 -63.6172 -31.4482 764043.2353 -24.8263 -24.5894 PRESSURE: 2835800 -109.324 4.77627 -49.8741 4.77631 307.462 -206.027 -49.874 -206.026 -260.416 GPRESSURE: 2835800 -0.0439211 -6.72845 -100.283 -6.7955 219.816 -132.323 31.2594 -250.461 -207.579 PRESSAVG: 2835800 0.578277 3.22669 -25.3402 3.22666 -12.3772 -23.3233 -25.3401 -23.3232 -23.0061 GPRESSAVG: 2835800 0.121224 2.39381 -23.1682 3.26274 -11.8848 -22.6815 -25.8268 -26.4851 -23.3799 TIMING: 2835800 CPU: 8857.11, 0.00309896/step Wall: 8857.11, 0.00309896/step, 1.86299 hours remaining, 234.312500 MB of memory in use. ENERGY: 2835800 4007.3001 20549.6159 14365.0675 249.6910 -203349.5059 2854.8319 0.0000 0.0000 51995.2656 -109327.7338 298.8175 -161322.9995 -108979.8800 298.8488 -20.7593 4.0645 762575.4135 -11.6017 -11.7145 PRESSURE: 2836000 -331.391 35.6085 -89.3075 35.6082 -323.799 -26.3552 -89.3078 -26.3553 -367.884 GPRESSURE: 2836000 -309.833 5.65213 -146.949 105.506 -289.072 -25.3281 -90.4271 -51.0192 -342.361 PRESSAVG: 2836000 7.57237 3.52285 19.6211 3.52288 11.3146 3.35765 19.621 3.35764 8.30286 GPRESSAVG: 2836000 7.10467 3.31137 19.5929 4.65435 11.8175 3.99539 20.1651 3.22759 8.83502 TIMING: 2836000 CPU: 8857.73, 0.00310455/step Wall: 8857.73, 0.00310455/step, 1.86618 hours remaining, 234.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2836000 3988.8147 20413.4654 14390.6569 236.2843 -203259.3969 2759.7837 0.0000 0.0000 52078.3699 -109392.0220 299.2951 -161470.3919 -109027.3219 298.9821 -341.0249 -313.7557 764952.5052 9.0633 9.2524 PRESSURE: 2836200 7.60511 -256.393 105.66 -256.393 -174.302 -32.4701 105.659 -32.469 -390.395 GPRESSURE: 2836200 76.5842 -249.754 131.407 -168.367 -127.46 -19.5657 101.201 -43.0027 -430.655 PRESSAVG: 2836200 -19.4543 -29.725 7.9023 -29.7251 14.3872 -6.34824 7.90228 -6.3483 20.3587 GPRESSAVG: 2836200 -19.752 -27.1253 6.52972 -30.4343 14.3008 -7.57239 8.70966 -3.41924 19.837 TIMING: 2836200 CPU: 8858.35, 0.00312095/step Wall: 8858.35, 0.00312095/step, 1.87586 hours remaining, 234.312500 MB of memory in use. ENERGY: 2836200 4044.4166 20598.9412 14414.6341 256.3486 -203375.3582 2571.1918 0.0000 0.0000 52335.6594 -109154.1665 300.7738 -161489.8259 -108791.4939 299.4787 -185.6974 -160.5103 762700.2667 5.0972 4.7952 LDB: ============= START OF LOAD BALANCING ============== 8870.83 LDB: ============== END OF LOAD BALANCING =============== 8870.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8870.83 LDB: ============= START OF LOAD BALANCING ============== 8871.15 LDB: Largest compute 7030 load 0.029588 is 15.2% of average load 0.195159 LDB: Average compute 0.004399 is 2.3% of average load 0.195159 LDB: TIME 8871.15 LOAD: AVG 0.195159 MAX 0.216814 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.793 MB LDB: TIME 8871.15 LOAD: AVG 0.195159 MAX 0.216814 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.863 MB LDB: TIME 8871.15 LOAD: AVG 0.195159 MAX 0.216814 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.863 MB LDB: ============== END OF LOAD BALANCING =============== 8871.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8871.16 PRESSURE: 2836400 260.131 -203.305 -131.123 -203.305 -54.2037 -72.6686 -131.122 -72.6691 -4.72838 GPRESSURE: 2836400 211.343 -209.185 -123.402 -192.704 18.9528 -99.8062 -58.6088 -4.77365 50.9191 PRESSAVG: 2836400 29.9568 -54.2932 -38.7496 -54.2932 -23.3759 53.3183 -38.7496 53.3183 -6.96836 GPRESSAVG: 2836400 30.1551 -55.8841 -38.5499 -54.522 -23.398 52.9303 -42.1038 53.2824 -7.87041 TIMING: 2836400 CPU: 8858.99, 0.00318528/step Wall: 8858.99, 0.00318528/step, 1.91436 hours remaining, 235.277344 MB of memory in use. ENERGY: 2836400 4028.2531 20526.3626 14386.2036 251.1553 -202560.2956 2307.5369 0.0000 0.0000 51734.2746 -109326.5095 297.3176 -161060.7841 -108958.9568 299.4210 67.0663 93.7383 760858.5631 -0.1291 -0.3711 PRESSURE: 2836600 163.34 197.336 177.182 197.335 -188.963 -77.7484 177.182 -77.7482 -395.793 GPRESSURE: 2836600 149.001 141.48 184.539 86.1228 -127.668 -67.3405 206.69 57.4314 -362.686 PRESSAVG: 2836600 36.5307 -24.5534 -22.5957 -24.5534 8.74477 10.4139 -22.5956 10.4138 -10.8486 GPRESSAVG: 2836600 34.8958 -25.6475 -21.9314 -26.0234 9.72409 9.98155 -20.7309 12.5573 -10.683 TIMING: 2836600 CPU: 8859.62, 0.00312587/step Wall: 8859.62, 0.00312587/step, 1.87847 hours remaining, 235.480469 MB of memory in use. ENERGY: 2836600 4044.8497 20655.2269 14361.5690 244.6078 -203368.4670 2756.1037 0.0000 0.0000 51992.1354 -109313.9746 298.7995 -161306.1100 -108954.6252 299.0234 -140.4721 -113.7842 762397.3862 11.4756 11.3123 PRESSURE: 2836800 218.113 -103.779 1.15857 -103.779 74.2042 -260.532 1.15979 -260.532 175.115 GPRESSURE: 2836800 203.042 -32.9269 110.525 -144.596 153.635 -196.769 -127.225 -306.918 180.61 PRESSAVG: 2836800 -7.3543 25.4929 -33.0514 25.4929 10.3227 3.01342 -33.0514 3.01338 -6.5485 GPRESSAVG: 2836800 -6.01214 25.5581 -34.0871 26.7276 8.95789 4.61987 -32.3979 2.10773 -6.30386 TIMING: 2836800 CPU: 8860.24, 0.0031094/step Wall: 8860.24, 0.0031094/step, 1.86841 hours remaining, 235.480469 MB of memory in use. ENERGY: 2836800 4003.4011 20594.1206 14326.0338 254.6809 -203406.0452 2762.4054 0.0000 0.0000 51955.8550 -109509.5484 298.5910 -161465.4034 -109147.1511 298.8124 155.8106 179.0955 761851.6808 -1.1934 -1.1194 PRESSURE: 2837000 -263.543 31.9865 -203.501 31.9871 406.248 -133.115 -203.501 -133.116 92.1213 GPRESSURE: 2837000 -225.294 111.643 -170.552 -82.5854 461.552 -85.2234 -172.001 -56.0533 85.3364 PRESSAVG: 2837000 -26.639 15.6992 1.26256 15.6992 27.617 -31.1546 1.2625 -31.1547 -16.8428 GPRESSAVG: 2837000 -27.8757 16.7019 3.27579 15.0855 28.4847 -32.4849 1.26203 -31.247 -17.0103 TIMING: 2837000 CPU: 8860.86, 0.0031127/step Wall: 8860.86, 0.00311271/step, 1.87022 hours remaining, 235.480469 MB of memory in use. ENERGY: 2837000 3954.7753 20570.4552 14317.8469 240.6200 -203825.3835 3009.6191 0.0000 0.0000 52188.6667 -109543.4003 299.9290 -161732.0670 -109182.3377 299.0480 78.2753 107.1982 762466.2592 -5.2883 -5.4671 PRESSURE: 2837200 181.895 33.9955 -52.1999 33.9951 76.2459 -186.847 -52.2002 -186.848 -251.172 GPRESSURE: 2837200 157.755 -73.8592 22.4571 51.9851 69.3021 -151.66 -50.4237 -104.509 -141.228 PRESSAVG: 2837200 -2.97292 -3.6423 3.18046 -3.6423 1.32343 -20.008 3.18049 -20.0079 -5.71122 GPRESSAVG: 2837200 -3.21197 -4.8191 2.85832 -1.77948 1.16459 -19.9224 2.85337 -20.3042 -5.60268 TIMING: 2837200 CPU: 8861.48, 0.00312453/step Wall: 8861.48, 0.00312453/step, 1.87715 hours remaining, 235.480469 MB of memory in use. ENERGY: 2837200 4053.2724 20534.4068 14305.2768 242.4604 -203617.4448 2841.7430 0.0000 0.0000 52100.5674 -109539.7180 299.4227 -161640.2854 -109172.7497 298.8207 2.3230 28.6097 761727.2254 -2.4536 -2.5500 PRESSURE: 2837400 -13.2933 11.5877 106.229 11.5874 45.5879 76.1882 106.228 76.1876 31.793 GPRESSURE: 2837400 37.2219 45.3678 36.1273 33.0044 61.8482 113.167 60.7403 204.212 35.0287 PRESSAVG: 2837400 7.01153 8.64883 18.2946 8.64892 -6.13591 -28.0722 18.2945 -28.0723 10.3068 GPRESSAVG: 2837400 7.94965 9.97865 16.3291 8.44308 -6.71976 -27.2936 19.8651 -28.2882 9.25098 TIMING: 2837400 CPU: 8862.11, 0.00312767/step Wall: 8862.11, 0.00312767/step, 1.87886 hours remaining, 235.480469 MB of memory in use. ENERGY: 2837400 3955.4482 20589.7835 14388.9728 249.2736 -203131.0273 2484.3126 0.0000 0.0000 52096.7862 -109366.4504 299.4009 -161463.2366 -108998.5927 299.0320 21.3626 44.6996 759428.2005 3.7275 3.4936 PRESSURE: 2837600 -8.7812 31.9606 198.54 31.9598 89.5903 156.681 198.54 156.681 109.8 GPRESSURE: 2837600 53.7262 84.5143 169.132 -16.7715 135.022 106.499 198.864 121.088 97.2495 PRESSAVG: 2837600 -25.1764 -49.5145 91.3976 -49.5145 43.2296 9.17049 91.3977 9.17049 -20.6283 GPRESSAVG: 2837600 -26.3512 -48.8341 92.5084 -50.5463 43.5691 8.78518 89.7393 9.38941 -19.4564 TIMING: 2837600 CPU: 8862.73, 0.0031017/step Wall: 8862.73, 0.0031017/step, 1.86309 hours remaining, 235.480469 MB of memory in use. ENERGY: 2837600 3979.6951 20520.0001 14387.3322 249.7414 -202978.7076 2392.9938 0.0000 0.0000 52334.4316 -109114.5134 300.7667 -161448.9450 -108746.1017 299.4139 63.5364 95.3326 761793.0680 -0.8584 -0.7461 PRESSURE: 2837800 -341.214 92.358 -44.4448 92.3573 -231.176 119.671 -44.4457 119.671 0.242078 GPRESSURE: 2837800 -423.415 117.226 -117.934 72.3778 -95.3597 89.3996 34.6741 34.3454 27.9835 PRESSAVG: 2837800 -63.3282 2.12891 1.00172 2.12894 63.9638 -60.7728 1.00171 -60.7728 6.21226 GPRESSAVG: 2837800 -62.9374 0.86168 1.34534 2.56156 64.1395 -62.104 0.702105 -62.0308 5.56342 TIMING: 2837800 CPU: 8863.35, 0.00311076/step Wall: 8863.35, 0.00311076/step, 1.86836 hours remaining, 235.480469 MB of memory in use. ENERGY: 2837800 3987.1073 20677.6352 14411.4567 247.7333 -202750.9284 2378.4606 0.0000 0.0000 52021.2461 -109027.2892 298.9668 -161048.5353 -108661.9692 299.7407 -190.7160 -163.5970 763571.6441 2.2826 2.2552 PRESSURE: 2838000 -106.269 -172.725 -129.223 -172.725 -180.324 14.8745 -129.223 14.8744 -316.836 GPRESSURE: 2838000 -103.199 -49.5022 -207.285 -195.9 -88.39 -42.7323 75.1141 107.517 -300.007 PRESSAVG: 2838000 -89.3084 -33.6855 6.00725 -33.6854 66.3146 -47.3983 6.00721 -47.3982 13.3399 GPRESSAVG: 2838000 -88.9313 -33.3442 5.72096 -35.3258 65.4602 -46.9401 8.29769 -46.2696 13.6427 TIMING: 2838000 CPU: 8863.98, 0.00311284/step Wall: 8863.98, 0.00311284/step, 1.86944 hours remaining, 235.480469 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: 2838000 3979.1277 20633.4751 14430.8458 257.3404 -203064.3748 2754.7020 0.0000 0.0000 51929.5228 -109079.3610 298.4397 -161008.8838 -108716.4808 299.6909 -201.1429 -163.8653 762858.7179 -3.2180 -3.2761 PRESSURE: 2838200 -55.2949 -213.534 273.699 -213.534 44.4065 -323.105 273.699 -323.106 257.931 GPRESSURE: 2838200 -68.5889 -177.059 181.998 -278.199 136.494 -325.231 342.055 -317.365 264.264 PRESSAVG: 2838200 -44.5858 5.49821 17.4445 5.49817 14.112 -39.2447 17.4445 -39.2447 -3.3619 GPRESSAVG: 2838200 -45.144 4.325 16.5069 7.13415 14.8477 -37.873 17.3047 -41.3817 -4.25818 TIMING: 2838200 CPU: 8864.6, 0.00309967/step Wall: 8864.6, 0.00309967/step, 1.86135 hours remaining, 235.480469 MB of memory in use. ENERGY: 2838200 4013.5414 20449.3460 14336.8965 266.8147 -203166.2033 2755.8657 0.0000 0.0000 52258.8651 -109084.8739 300.3324 -161343.7390 -108720.7238 299.7957 82.3475 110.7228 761917.6258 -11.2786 -11.5182 PRESSURE: 2838400 -447.148 9.34526 -185.958 9.34466 -410.455 -119.791 -185.956 -119.791 -92.2116 GPRESSURE: 2838400 -434.873 -8.48538 -150.291 66.4697 -394.569 -52.0803 -27.5253 -16.9464 -34.8861 PRESSAVG: 2838400 -24.825 -44.5406 11.3247 -44.5407 43.4377 -22.7261 11.3248 -22.7261 -29.9762 GPRESSAVG: 2838400 -25.5689 -44.5501 12.12 -44.8054 43.5266 -24.1517 9.70392 -21.2121 -29.3998 TIMING: 2838400 CPU: 8865.22, 0.00310871/step Wall: 8865.22, 0.00310871/step, 1.86661 hours remaining, 235.480469 MB of memory in use. ENERGY: 2838400 4067.9156 20584.4102 14372.9836 248.8147 -202995.6863 2399.0317 0.0000 0.0000 52100.1299 -109222.4006 299.4202 -161322.5305 -108855.7643 299.9726 -316.6047 -288.1095 762229.5508 -3.7878 -3.8141 PRESSURE: 2838600 -18.1262 57.7117 63.5727 57.7117 -109.363 -29.6267 63.5742 -29.6264 -336.1 GPRESSURE: 2838600 15.8611 128.89 109.759 33.3305 -94.68 -92.8767 37.1308 -92.4426 -295.882 PRESSAVG: 2838600 -0.593341 5.89491 30.9964 5.89493 23.7141 -24.3914 30.9965 -24.3914 -6.00862 GPRESSAVG: 2838600 -0.836183 7.55373 33.0082 5.92985 22.6987 -25.1328 30.4057 -22.8891 -4.42716 TIMING: 2838600 CPU: 8865.84, 0.00310632/step Wall: 8865.84, 0.00310632/step, 1.865 hours remaining, 235.480469 MB of memory in use. ENERGY: 2838600 4042.1384 20662.0096 14457.5405 250.7495 -203306.0017 2776.2530 0.0000 0.0000 52034.8227 -109082.4880 299.0448 -161117.3107 -108729.9846 299.7346 -154.5300 -124.9003 762747.6056 5.7040 5.8118 PRESSURE: 2838800 41.9279 6.47665 97.9463 6.47556 8.4545 -29.4981 97.9457 -29.4992 144.628 GPRESSURE: 2838800 171.137 78.6042 97.5401 83.6962 -57.8634 -77.0877 78.2356 21.6693 176.894 PRESSAVG: 2838800 39.6232 -16.4314 -39.8112 -16.4314 -54.1371 74.8944 -39.8112 74.8944 -46.5207 GPRESSAVG: 2838800 40.9249 -19.2774 -42.0321 -15.8097 -54.4674 74.9347 -37.2266 75.7297 -47.9406 TIMING: 2838800 CPU: 8866.46, 0.00310147/step Wall: 8866.46, 0.00310147/step, 1.86192 hours remaining, 235.480469 MB of memory in use. ENERGY: 2838800 3973.3475 20620.9509 14366.8047 239.8374 -203649.2884 3023.9414 0.0000 0.0000 52122.4857 -109301.9208 299.5486 -161424.4065 -108943.8668 299.5179 65.0034 96.7226 760543.8146 -20.3448 -20.4943 PRESSURE: 2839000 -154.112 130.493 23.1922 130.493 -313.153 -61.9367 23.1923 -61.9369 49.6462 GPRESSURE: 2839000 -116.545 55.1398 -3.89773 109.352 -253.001 -105.027 -39.3733 -28.9721 38.9693 PRESSAVG: 2839000 6.90927 1.65356 -22.7262 1.65357 -3.91861 -26.8453 -22.7262 -26.8453 23.8428 GPRESSAVG: 2839000 5.87958 3.33558 -22.2125 -1.12338 -3.07851 -25.2388 -25.4809 -28.7061 23.5008 TIMING: 2839000 CPU: 8867.08, 0.00309657/step Wall: 8867.08, 0.00309657/step, 1.8588 hours remaining, 235.480469 MB of memory in use. ENERGY: 2839000 3950.6213 20536.6232 14341.8803 240.7677 -202764.0752 2535.9008 0.0000 0.0000 51762.6677 -109395.6142 297.4808 -161158.2819 -109034.3649 299.0728 -139.2063 -110.1922 762074.6344 8.9445 8.7673 PRESSURE: 2839200 206.845 52.0783 252.514 52.0785 84.7209 -156.093 252.514 -156.092 323.804 GPRESSURE: 2839200 212.315 29.5844 253.242 173.426 154.821 -121.11 206.86 -133.834 343.735 PRESSAVG: 2839200 -24.2214 -10.831 42.1049 -10.8311 13.1994 -40.0638 42.1049 -40.0639 21.4998 GPRESSAVG: 2839200 -25.0032 -10.9137 43.0112 -8.12645 13.7797 -39.7531 41.3001 -40.1981 21.9546 TIMING: 2839200 CPU: 8867.7, 0.00310238/step Wall: 8867.7, 0.00310238/step, 1.86212 hours remaining, 235.480469 MB of memory in use. ENERGY: 2839200 3883.7786 20463.3019 14366.6758 250.5365 -203253.4529 2692.0496 0.0000 0.0000 52110.7758 -109486.3346 299.4813 -161597.1104 -109117.8444 299.0499 205.1231 236.9568 760685.2823 3.4926 3.5770 PRESSURE: 2839400 358.49 -61.6742 -69.6891 -61.6742 216.277 -20.4715 -69.6894 -20.4721 301.539 GPRESSURE: 2839400 315.88 -150.122 -39.4508 -60.1089 349.252 -36.1598 3.86844 -97.164 287.876 PRESSAVG: 2839400 17.9061 -32.8036 54.3904 -32.8036 -12.5043 -37.346 54.3904 -37.3459 -4.7051 GPRESSAVG: 2839400 18.7684 -31.4913 54.0064 -33.1958 -12.8317 -37.7537 54.8955 -38.2103 -5.61217 TIMING: 2839400 CPU: 8868.32, 0.00309897/step Wall: 8868.32, 0.00309897/step, 1.8599 hours remaining, 235.480469 MB of memory in use. ENERGY: 2839400 3978.5084 20602.0768 14373.3383 249.8728 -203552.8728 3059.5895 0.0000 0.0000 51775.8019 -109513.6850 297.5562 -161289.4870 -109160.2804 299.3213 292.1021 317.6693 761238.0862 0.2322 0.1082 PRESSURE: 2839600 -155.916 -18.5876 -108.722 -18.5878 -119.893 -170.872 -108.722 -170.872 -293.162 GPRESSURE: 2839600 -128.081 -31.5129 -75.3342 59.975 -61.7629 -194.281 -252.261 -141.82 -296.767 PRESSAVG: 2839600 -22.7312 -61.5112 3.12981 -61.5111 -19.3849 -48.6269 3.12974 -48.6269 -28.9603 GPRESSAVG: 2839600 -23.7492 -63.8963 3.42597 -62.6956 -18.4779 -48.0104 4.4474 -48.4954 -28.108 TIMING: 2839600 CPU: 8868.94, 0.00310396/step Wall: 8868.94, 0.00310396/step, 1.86272 hours remaining, 235.480469 MB of memory in use. ENERGY: 2839600 3975.7656 20399.7191 14321.5888 249.3440 -203220.6756 2544.5158 0.0000 0.0000 52226.6654 -109503.0769 300.1474 -161729.7424 -109129.7948 298.7823 -189.6568 -162.2039 761875.4558 -23.6921 -23.4450 PRESSURE: 2839800 -74.5416 -34.635 -138.421 -34.6347 75.7149 18.6607 -138.421 18.6607 28.8723 GPRESSURE: 2839800 -20.6305 -100.677 -22.3455 -75.567 95.6876 -0.49726 -229.536 26.9087 31.6574 PRESSAVG: 2839800 -20.9013 -29.0397 -6.7967 -29.0397 -6.94348 -17.3365 -6.7967 -17.3366 -17.8927 GPRESSAVG: 2839800 -19.5112 -28.6903 -6.86081 -28.285 -7.86936 -17.6654 -8.45214 -16.8894 -18.2307 TIMING: 2839800 CPU: 8869.56, 0.0030927/step Wall: 8869.56, 0.0030927/step, 1.85579 hours remaining, 235.480469 MB of memory in use. ENERGY: 2839800 3966.4529 20554.7270 14439.7215 242.0760 -203239.5807 2572.1314 0.0000 0.0000 51998.1501 -109466.3218 298.8341 -161464.4719 -109105.1416 298.9971 10.0152 35.5715 761319.7855 -15.2458 -15.2038 PRESSURE: 2840000 430.844 -262.115 -75.3929 -262.115 -231.158 214.92 -75.3926 214.918 -52.1736 GPRESSURE: 2840000 359.787 -267.103 -70.2439 -170.663 -115.127 186.262 74.5858 146.636 10.9459 PRESSAVG: 2840000 -57.6947 7.93871 -22.7909 7.93866 18.2931 14.7667 -22.7909 14.7667 14.8966 GPRESSAVG: 2840000 -58.0143 8.60592 -24.2081 8.45601 17.8446 15.076 -21.021 12.8749 15.5547 TIMING: 2840000 CPU: 8870.18, 0.00308727/step Wall: 8870.18, 0.00308727/step, 1.85236 hours remaining, 235.480469 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: 2840000 3930.5706 20569.5450 14356.2506 241.8438 -203347.2757 2523.4547 0.0000 0.0000 52117.9315 -109607.6795 299.5225 -161725.6110 -109246.7940 298.7997 49.1708 85.2020 762332.9673 -8.1683 -8.2050 PRESSURE: 2840200 -369.158 -36.8551 -171.209 -36.8546 -136.543 -21.0294 -171.209 -21.0289 -256.597 GPRESSURE: 2840200 -288.142 -51.6883 -166.702 30.2448 -145.358 -101.522 -227.811 -91.8138 -266.845 PRESSAVG: 2840200 -31.1406 25.2769 -3.50433 25.2769 23.0892 -41.7041 -3.50433 -41.7041 3.81019 GPRESSAVG: 2840200 -31.7211 24.3351 -1.80053 26.4534 23.9019 -43.9247 -5.57424 -39.8141 3.21281 TIMING: 2840200 CPU: 8870.8, 0.00310588/step Wall: 8870.8, 0.00310588/step, 1.86336 hours remaining, 235.480469 MB of memory in use. ENERGY: 2840200 4033.6624 20603.3158 14392.7626 241.2169 -203387.6605 2526.0701 0.0000 0.0000 52028.8154 -109561.8172 299.0103 -161590.6326 -109204.9321 299.4927 -254.0992 -233.4485 761706.1469 -1.4137 -1.5354 LDB: ============= START OF LOAD BALANCING ============== 8883.27 LDB: ============== END OF LOAD BALANCING =============== 8883.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8883.28 LDB: ============= START OF LOAD BALANCING ============== 8883.59 LDB: Largest compute 7030 load 0.030441 is 15.6% of average load 0.195046 LDB: Average compute 0.004404 is 2.3% of average load 0.195046 LDB: TIME 8883.59 LOAD: AVG 0.195046 MAX 0.216391 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 8883.59 LOAD: AVG 0.195046 MAX 0.216391 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: TIME 8883.59 LOAD: AVG 0.195046 MAX 0.216391 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: ============== END OF LOAD BALANCING =============== 8883.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8883.6 PRESSURE: 2840400 -92.0347 33.2821 -264.172 33.2816 282.312 -62.2343 -264.171 -62.2327 216.892 GPRESSURE: 2840400 20.2377 10.5685 -210.113 89.5201 233.316 -102.18 -194.031 0.533299 232.032 PRESSAVG: 2840400 42.6084 38.6198 8.44419 38.6199 -15.3879 -36.6442 8.4442 -36.6442 13.036 GPRESSAVG: 2840400 42.5936 37.5678 7.75708 36.8564 -14.9786 -35.4655 10.0055 -36.2373 12.6777 TIMING: 2840400 CPU: 8871.43, 0.00318734/step Wall: 8871.43, 0.00318734/step, 1.91205 hours remaining, 234.050781 MB of memory in use. ENERGY: 2840400 4013.4204 20591.5697 14431.1169 248.1455 -203544.2657 2757.7186 0.0000 0.0000 51979.8868 -109522.4078 298.7291 -161502.2946 -109165.7903 299.5786 135.7231 161.8619 760256.3506 13.4188 13.4309 PRESSURE: 2840600 -313.291 240.338 -349.249 240.338 -44.7039 123.166 -349.247 123.167 34.5613 GPRESSURE: 2840600 -213.485 80.7332 -363.407 310.589 -93.2236 117.678 -305.577 43.7742 67.4068 PRESSAVG: 2840600 -43.659 80.2666 -34.806 80.2665 29.3425 4.48831 -34.8059 4.48831 6.3499 GPRESSAVG: 2840600 -43.044 82.2302 -36.2304 78.5513 28.9204 4.72162 -34.9784 3.3797 6.30774 TIMING: 2840600 CPU: 8872.06, 0.003127/step Wall: 8872.06, 0.003127/step, 1.87568 hours remaining, 234.050781 MB of memory in use. ENERGY: 2840600 3992.3834 20411.2284 14326.2424 247.8584 -203270.0229 2484.8966 0.0000 0.0000 52062.5342 -109744.8795 299.2041 -161807.4137 -109381.4475 299.0139 -107.8112 -79.7672 761457.5983 -2.6555 -2.6053 PRESSURE: 2840800 321.524 18.198 -122.959 18.1974 -188.405 -166.583 -122.959 -166.584 -30.7176 GPRESSURE: 2840800 312.421 -20.1885 -182.106 20.9603 -79.7053 -162.296 50.2549 -80.7277 -35.0675 PRESSAVG: 2840800 46.2436 19.7695 -0.331807 19.7695 -65.2906 40.1352 -0.331817 40.1352 13.107 GPRESSAVG: 2840800 45.5045 17.5231 0.530909 21.7161 -65.0564 39.8975 2.25363 39.6041 13.2742 TIMING: 2840800 CPU: 8872.68, 0.00312397/step Wall: 8872.68, 0.00312397/step, 1.87369 hours remaining, 234.050781 MB of memory in use. ENERGY: 2840800 3962.9365 20360.6489 14326.1271 252.8227 -203139.5139 2552.0107 0.0000 0.0000 51821.1887 -109863.7791 297.8171 -161684.9678 -109503.3075 298.1849 34.1340 65.8828 760696.2999 -1.9800 -2.0926 PRESSURE: 2841000 -539.626 58.1419 273.439 58.1422 -46.5781 -50.0083 273.439 -50.0091 -23.6671 GPRESSURE: 2841000 -517.238 171.686 243.767 94.8302 -32.9386 -42.7364 130.049 67.8106 37.1249 PRESSAVG: 2841000 10.5103 13.2972 55.3103 13.2972 -33.3239 -13.7513 55.3102 -13.7512 -6.31567 GPRESSAVG: 2841000 11.3575 15.8606 55.7736 11.1931 -33.1072 -12.7088 52.7284 -13.4748 -7.43774 TIMING: 2841000 CPU: 8873.31, 0.00311839/step Wall: 8873.31, 0.00311839/step, 1.87017 hours remaining, 234.050781 MB of memory in use. ENERGY: 2841000 3959.6102 20445.7541 14360.6763 255.3671 -203533.6718 2480.6406 0.0000 0.0000 52195.1131 -109836.5104 299.9660 -162031.6235 -109468.4955 298.3920 -203.2904 -171.0172 761062.3438 -9.7098 -9.7292 PRESSURE: 2841200 111.558 -108.845 78.131 -108.844 194.71 -80.2744 78.1314 -80.2741 -6.64513 GPRESSURE: 2841200 215.895 -283.798 178.899 6.2281 222.643 -69.9235 25.2004 88.6618 -37.3398 PRESSAVG: 2841200 -16.6038 20.8808 42.7925 20.8808 -1.35325 -14.0858 42.7925 -14.0857 2.03361 GPRESSAVG: 2841200 -18.245 19.6272 43.5926 21.5763 -0.282195 -15.4043 42.7143 -12.669 3.12581 TIMING: 2841200 CPU: 8873.93, 0.00310816/step Wall: 8873.93, 0.00310816/step, 1.86386 hours remaining, 234.050781 MB of memory in use. ENERGY: 2841200 3910.4855 20618.5089 14343.5213 223.6736 -203214.8651 2655.8725 0.0000 0.0000 51804.3844 -109658.4189 297.7205 -161462.8033 -109298.5730 298.5545 99.8742 133.7329 762427.1621 -5.3078 -5.1338 PRESSURE: 2841400 -18.2386 7.99278 -134.707 7.99217 -213.059 -133.264 -134.707 -133.264 -395.149 GPRESSURE: 2841400 19.9077 -102.281 -155.094 -53.9443 -271.441 -193.294 -159.08 -299.169 -303.391 PRESSAVG: 2841400 25.9985 -12.6247 52.8623 -12.6247 7.13534 27.6285 52.8623 27.6285 -20.6806 GPRESSAVG: 2841400 26.804 -12.326 52.7714 -11.1218 6.68083 27.7079 53.3438 28.9364 -20.8943 TIMING: 2841400 CPU: 8874.55, 0.0031121/step Wall: 8874.55, 0.0031121/step, 1.86605 hours remaining, 234.050781 MB of memory in use. ENERGY: 2841400 4049.5731 20568.8512 14382.4458 254.5964 -203710.4649 2610.0116 0.0000 0.0000 52071.6581 -109773.3288 299.2565 -161844.9869 -109407.6728 298.4935 -208.8154 -184.9746 761047.5221 4.1511 4.1968 PRESSURE: 2841600 -302.044 -108.324 -29.0935 -108.324 -219.536 96.9479 -29.0941 96.9469 -318.578 GPRESSURE: 2841600 -277.048 -168.304 -27.674 -39.604 -199.446 149.106 103.496 41.0255 -270.436 PRESSAVG: 2841600 -0.807391 -36.4114 18.7285 -36.4113 27.2666 23.2511 18.7286 23.2511 16.1661 GPRESSAVG: 2841600 -0.140446 -35.6764 17.3409 -36.7406 27.0613 25.3486 19.2924 18.9387 16.1032 TIMING: 2841600 CPU: 8875.17, 0.00309566/step Wall: 8875.17, 0.00309566/step, 1.85602 hours remaining, 234.050781 MB of memory in use. ENERGY: 2841600 4053.9181 20675.2459 14392.2668 244.1231 -202820.4498 2172.8586 0.0000 0.0000 51725.0881 -109556.9491 297.2648 -161282.0372 -109197.7906 298.9736 -280.0528 -248.9765 762842.4803 14.2084 14.3414 PRESSURE: 2841800 27.5554 -5.86794 139.117 -5.86834 -225.492 -219.515 139.117 -219.516 -14.9399 GPRESSURE: 2841800 12.3048 -98.3426 208.143 59.0731 -141.536 -251.553 122.364 -258.501 -29.6638 PRESSAVG: 2841800 -17.9966 -12.4196 33.3935 -12.4195 7.08493 -57.2226 33.3934 -57.2227 10.3484 GPRESSAVG: 2841800 -17.6724 -11.5603 33.0967 -12.5522 7.23327 -58.9078 33.5441 -54.3842 10.1029 TIMING: 2841800 CPU: 8875.79, 0.00311485/step Wall: 8875.79, 0.00311485/step, 1.86735 hours remaining, 234.050781 MB of memory in use. ENERGY: 2841800 3977.6912 20400.6390 14413.7223 252.6936 -203368.4691 2393.9390 0.0000 0.0000 52116.8405 -109812.9434 299.5162 -161929.7839 -109454.3014 298.8185 -70.9590 -52.9648 760483.7300 -0.1878 -0.1121 PRESSURE: 2842000 -437.179 -197.212 -147.538 -197.212 -292.209 56.8538 -147.539 56.8539 -189.76 GPRESSURE: 2842000 -366.931 -235.464 -72.1959 -187.521 -247.169 -9.28322 -119.808 80.9235 -200.579 PRESSAVG: 2842000 4.26675 0.321449 21.3434 0.321408 -32.9799 20.6343 21.3434 20.6343 -15.4152 GPRESSAVG: 2842000 3.66359 -1.97002 22.1025 0.692074 -32.4158 19.7963 20.2918 19.2286 -15.5072 TIMING: 2842000 CPU: 8876.42, 0.00315015/step Wall: 8876.42, 0.00315015/step, 1.88834 hours remaining, 234.050781 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: 2842000 3980.0073 20531.9183 14381.4196 234.0070 -203360.8218 2703.2414 0.0000 0.0000 52100.7947 -109429.4336 299.4240 -161530.2283 -109076.5675 298.5086 -306.3826 -271.5595 760662.1817 -14.7095 -14.7532 PRESSURE: 2842200 3.53387 -189.286 -147.103 -189.287 -348.893 -242.629 -147.102 -242.63 -63.2326 GPRESSURE: 2842200 -39.8718 -153.015 -46.3018 -188.825 -293.738 -247.777 -210.127 -73.2566 3.24822 PRESSAVG: 2842200 11.2937 -32.0797 29.8205 -32.0797 12.2026 -47.7768 29.8204 -47.7768 8.06163 GPRESSAVG: 2842200 11.6017 -29.8484 29.6667 -33.2513 11.0534 -47.2553 30.8964 -47.1218 9.0051 TIMING: 2842200 CPU: 8877.05, 0.00312211/step Wall: 8877.05, 0.00312211/step, 1.87136 hours remaining, 234.050781 MB of memory in use. ENERGY: 2842200 3977.9894 20508.7689 14440.7974 251.7741 -203566.2282 2861.4362 0.0000 0.0000 52078.0052 -109447.4570 299.2930 -161525.4622 -109083.1781 299.6312 -136.1973 -110.1206 762347.1941 10.5193 10.5534 PRESSURE: 2842400 -416.043 -124.635 78.8523 -124.635 -121.801 -0.294965 78.8528 -0.294619 -22.3039 GPRESSURE: 2842400 -377.09 -135.463 100.234 -147.755 -48.8732 55.1259 17.4841 74.4134 -45.3379 PRESSAVG: 2842400 -101.677 21.8806 -25.383 21.8807 82.2794 22.2484 -25.3829 22.2484 5.30039 GPRESSAVG: 2842400 -101.893 21.4316 -25.1822 19.2767 83.6675 22.4305 -26.0608 21.5029 3.69667 TIMING: 2842400 CPU: 8877.67, 0.00310282/step Wall: 8877.67, 0.00310282/step, 1.85962 hours remaining, 234.050781 MB of memory in use. ENERGY: 2842400 4022.8006 20615.9854 14417.9024 256.4097 -203305.2746 2646.2379 0.0000 0.0000 51824.5506 -109521.3880 297.8364 -161345.9386 -109159.1945 299.2124 -186.7160 -157.1003 760685.7096 -4.6991 -4.8431 PRESSURE: 2842600 -45.5392 -40.2233 274.816 -40.2229 -202.524 128.583 274.815 128.582 10.8073 GPRESSURE: 2842600 2.94944 57.6569 358.923 -144.987 -156.089 69.7183 145.971 103.455 -8.6382 PRESSAVG: 2842600 -13.2177 -47.8962 39.322 -47.8962 11.3194 8.18631 39.322 8.18625 0.465843 GPRESSAVG: 2842600 -12.9433 -47.8002 39.7223 -44.3384 11.0235 8.70882 38.9561 9.78985 0.542465 TIMING: 2842600 CPU: 8878.3, 0.00313625/step Wall: 8878.3, 0.00313625/step, 1.87949 hours remaining, 234.050781 MB of memory in use. ENERGY: 2842600 4010.9153 20440.4084 14466.3849 240.2535 -203210.4526 2613.4803 0.0000 0.0000 51765.5444 -109673.4659 297.4973 -161439.0103 -109304.9948 298.6127 -79.0854 -53.9259 760920.1484 -0.4775 -0.4591 PRESSURE: 2842800 -75.3262 -47.0279 114.659 -47.0277 -44.1866 5.29912 114.658 5.29924 118.087 GPRESSURE: 2842800 -75.964 -7.9295 179.191 -50.2177 108.879 -16.7085 14.8713 25.7794 47.0306 PRESSAVG: 2842800 -17.1698 -70.424 40.7782 -70.4241 38.8484 33.9309 40.7782 33.9308 18.4067 GPRESSAVG: 2842800 -18.3813 -71.0984 40.955 -70.3803 38.9471 32.9626 41.2431 34.2243 19.2392 TIMING: 2842800 CPU: 8878.92, 0.00312619/step Wall: 8878.92, 0.00312619/step, 1.87328 hours remaining, 234.050781 MB of memory in use. ENERGY: 2842800 3940.0142 20531.3164 14319.2440 238.3496 -203011.1421 2509.4022 0.0000 0.0000 51940.4419 -109532.3738 298.5024 -161472.8157 -109166.1623 298.5539 -0.4753 26.6485 760303.6210 13.3618 13.2684 PRESSURE: 2843000 -116.86 98.4961 319.8 98.4958 13.3171 90.0529 319.8 90.0533 -127.994 GPRESSURE: 2843000 -52.6311 -25.2345 274.269 246.819 91.8248 171.868 269.171 41.3961 -179.88 PRESSAVG: 2843000 -40.0619 -1.93151 29.9398 -1.93155 27.2279 49.9194 29.9398 49.9194 -4.15687 GPRESSAVG: 2843000 -38.4181 -2.12116 29.8802 -1.45287 25.677 48.9055 29.5455 48.8779 -4.49777 TIMING: 2843000 CPU: 8879.54, 0.00309867/step Wall: 8879.54, 0.00309867/step, 1.85662 hours remaining, 234.050781 MB of memory in use. ENERGY: 2843000 4022.8689 20546.9549 14384.5171 239.3170 -203551.5702 2746.7898 0.0000 0.0000 52113.7800 -109497.3425 299.4986 -161611.1225 -109135.7984 298.8234 -77.1790 -46.8953 760270.3206 -5.6636 -5.7463 PRESSURE: 2843200 -107.243 99.7165 -343.134 99.7158 521.818 70.2197 -343.134 70.2202 55.7442 GPRESSURE: 2843200 -35.3823 106.878 -397.821 17.7468 539.885 117.648 -229.286 -78.5888 48.3377 PRESSAVG: 2843200 22.634 4.83261 18.2688 4.83249 31.95 58.3815 18.2688 58.3815 -4.55139 GPRESSAVG: 2843200 22.9732 5.74161 16.3871 2.59118 32.4542 60.5245 20.5003 56.9508 -5.27852 TIMING: 2843200 CPU: 8880.16, 0.00310099/step Wall: 8880.16, 0.00310099/step, 1.85784 hours remaining, 234.050781 MB of memory in use. ENERGY: 2843200 4008.7641 20519.8214 14381.3846 258.4766 -203181.8019 2780.0464 0.0000 0.0000 51950.8698 -109282.4389 298.5624 -161233.3087 -108926.6575 298.9562 156.7731 184.2802 761449.2649 16.6775 16.7163 PRESSURE: 2843400 -450.066 -227.484 -99.2269 -227.483 -35.1802 -31.5104 -99.2265 -31.5113 -195.427 GPRESSURE: 2843400 -411.606 -77.7581 -38.1607 -260.974 -0.99129 65.1202 -104.813 -36.6989 -192.353 PRESSAVG: 2843400 28.7733 23.2871 -9.44103 23.2871 -13.4661 47.2563 -9.44109 47.2563 -8.10276 GPRESSAVG: 2843400 27.2826 22.2079 -10.0776 25.9882 -13.4626 47.1727 -10.4045 49.5563 -6.66854 TIMING: 2843400 CPU: 8880.78, 0.00310441/step Wall: 8880.78, 0.00310441/step, 1.85971 hours remaining, 234.050781 MB of memory in use. ENERGY: 2843400 3972.3771 20532.1868 14407.4827 241.3675 -203265.4721 2634.2195 0.0000 0.0000 52042.4386 -109435.4000 299.0886 -161477.8386 -109077.5940 298.9811 -226.8911 -201.6503 761772.2450 2.4015 2.3838 PRESSURE: 2843600 -406.29 227.607 -183.738 227.607 -257.918 132.967 -183.738 132.966 -201.769 GPRESSURE: 2843600 -470.504 153.303 -111.295 232.958 -197.944 117.292 -128.769 -1.15888 -121.473 PRESSAVG: 2843600 -6.2472 6.17007 11.1768 6.17011 -18.9848 56.8703 11.1768 56.8703 -23.339 GPRESSAVG: 2843600 -6.43206 5.02379 11.199 5.22818 -18.6294 56.3967 11.6556 54.4642 -23.806 TIMING: 2843600 CPU: 8881.4, 0.00310875/step Wall: 8881.4, 0.00310874/step, 1.86214 hours remaining, 234.050781 MB of memory in use. ENERGY: 2843600 3983.8398 20614.7973 14388.1207 279.3931 -202827.2333 2354.9090 0.0000 0.0000 51880.2852 -109325.8883 298.1567 -161206.1735 -108987.3831 299.1164 -288.6592 -263.3069 762942.1213 -16.1903 -16.2892 PRESSURE: 2843800 -17.5297 32.6021 1.03819 32.6014 -441.425 12.2637 1.03922 12.2627 -16.6509 GPRESSURE: 2843800 -153.265 16.2508 53.8542 -40.6151 -258.9 97.5379 78.3323 -2.8088 8.13057 PRESSAVG: 2843800 -41.4236 6.08206 -3.99816 6.08207 53.7117 23.9166 -3.99812 23.9166 2.74154 GPRESSAVG: 2843800 -42.011 6.85702 -1.85188 6.91938 53.9243 23.1974 -6.25978 26.9191 2.64253 TIMING: 2843800 CPU: 8882.03, 0.00311973/step Wall: 8882.03, 0.00311973/step, 1.86855 hours remaining, 234.050781 MB of memory in use. ENERGY: 2843800 3972.7780 20536.8379 14282.9066 263.2087 -203111.4233 2369.0218 0.0000 0.0000 52171.7447 -109514.9257 299.8317 -161686.6703 -109149.3213 299.1032 -158.5352 -134.6782 763224.2114 5.0099 4.8520 PRESSURE: 2844000 -430.894 350.726 0.803195 350.726 -335.307 96.9918 0.803807 96.9928 -2.65683 GPRESSURE: 2844000 -387.127 261.18 -76.2995 242.176 -277.819 90.1292 74.4599 125.771 -21.2685 PRESSAVG: 2844000 -13.2746 3.73041 -16.6738 3.7304 24.2763 59.7282 -16.6738 59.7281 -7.76175 GPRESSAVG: 2844000 -12.2331 3.69632 -17.9798 2.60058 23.9078 58.8805 -14.5762 58.0038 -8.66172 TIMING: 2844000 CPU: 8882.65, 0.00312374/step Wall: 8882.65, 0.00312374/step, 1.87078 hours remaining, 234.050781 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: 2844000 3968.2618 20672.3995 14303.9585 238.6416 -203175.1379 2560.9518 0.0000 0.0000 52052.1534 -109378.7714 299.1444 -161430.9248 -109008.7933 299.0582 -256.2860 -228.7382 760929.5502 1.0800 1.0043 PRESSURE: 2844200 -140.668 52.3767 -191.766 52.376 -281.408 -57.558 -191.766 -57.5573 96.1207 GPRESSURE: 2844200 -33.2373 61.7154 -203.225 208.228 -294.613 -28.5223 -162.202 -123.659 103.915 PRESSAVG: 2844200 -8.64852 -0.760274 -9.19536 -0.760256 48.5003 -3.04012 -9.1953 -3.0401 -8.77072 GPRESSAVG: 2844200 -8.96499 0.806203 -9.19401 -1.22966 48.4158 -1.32809 -10.9756 -0.576431 -8.46265 TIMING: 2844200 CPU: 8883.28, 0.00311683/step Wall: 8883.28, 0.00311683/step, 1.86646 hours remaining, 234.050781 MB of memory in use. ENERGY: 2844200 4028.6826 20541.2510 14261.0515 227.3666 -203396.8043 2718.1012 0.0000 0.0000 52002.2423 -109618.1092 298.8576 -161620.3514 -109264.2820 299.0137 -108.6517 -74.6453 760811.7472 10.3603 10.3294 LDB: ============= START OF LOAD BALANCING ============== 8895.75 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8895.75 LDB: =============== DONE WITH MIGRATION ================ 8895.76 LDB: ============= START OF LOAD BALANCING ============== 8896.07 LDB: Largest compute 7070 load 0.030947 is 15.9% of average load 0.195115 LDB: Average compute 0.004384 is 2.2% of average load 0.195115 LDB: TIME 8896.07 LOAD: AVG 0.195115 MAX 0.217787 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.051 MB LDB: TIME 8896.07 LOAD: AVG 0.195115 MAX 0.217787 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.051 MB LDB: TIME 8896.07 LOAD: AVG 0.195115 MAX 0.21552 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.051 MB LDB: ============== END OF LOAD BALANCING =============== 8896.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8896.08 PRESSURE: 2844400 75.7652 -8.81013 50.4924 -8.80903 -96.4882 -58.9833 50.493 -58.9829 263.7 GPRESSURE: 2844400 113.193 -11.7501 154.237 -55.4441 -32.558 9.48176 23.2901 72.2593 236.635 PRESSAVG: 2844400 -35.1765 23.7797 43.9234 23.7798 -6.18243 1.3802 43.9235 1.38019 -18.2598 GPRESSAVG: 2844400 -35.5974 22.617 43.9865 24.8815 -6.0456 0.777707 44.3922 -0.0187912 -17.5231 TIMING: 2844400 CPU: 8883.91, 0.00319033/step Wall: 8883.91, 0.00319033/step, 1.9103 hours remaining, 234.562500 MB of memory in use. ENERGY: 2844400 3950.1766 20337.6943 14373.7136 242.7339 -203307.1764 2668.1381 0.0000 0.0000 51963.0827 -109771.6372 298.6326 -161734.7199 -109410.2751 298.2745 80.9922 105.7567 762527.0585 -19.8729 -19.7220 PRESSURE: 2844600 -300.901 110.274 -57.1104 110.273 -111.501 56.3238 -57.1106 56.3236 -260.805 GPRESSURE: 2844600 -299.201 28.512 -157.394 82.0879 -31.677 -69.0231 -41.3926 24.2495 -269.034 PRESSAVG: 2844600 -27.1092 37.5908 45.9668 37.5907 -10.7941 13.2177 45.9668 13.2177 -11.3599 GPRESSAVG: 2844600 -26.4699 35.9572 47.0094 37.3716 -10.5399 13.2759 46.3959 12.9856 -12.2102 TIMING: 2844600 CPU: 8884.53, 0.00310522/step Wall: 8884.53, 0.00310522/step, 1.85917 hours remaining, 234.562500 MB of memory in use. ENERGY: 2844600 3993.7755 20565.7756 14356.7087 252.2789 -203388.6863 2750.9554 0.0000 0.0000 51843.5884 -109625.6038 297.9458 -161469.1923 -109271.5348 298.5415 -224.4020 -199.9707 762585.8979 -16.4211 -16.4067 PRESSURE: 2844800 116.289 -105.932 17.9269 -105.932 215.856 181.85 17.9259 181.85 -38.2395 GPRESSURE: 2844800 173.133 7.3034 -79.0324 -76.2132 139.411 149.891 -56.7517 126.233 47.3405 PRESSAVG: 2844800 -18.1898 -42.1232 2.85767 -42.1232 10.8961 10.4334 2.8577 10.4334 -4.07671 GPRESSAVG: 2844800 -17.4387 -37.2581 1.99005 -41.86 10.4401 9.9079 0.651272 11.5811 -4.22498 TIMING: 2844800 CPU: 8885.16, 0.00310353/step Wall: 8885.16, 0.00310353/step, 1.85798 hours remaining, 234.562500 MB of memory in use. ENERGY: 2844800 3954.8849 20552.8849 14388.2258 259.0891 -203526.8843 2686.2161 0.0000 0.0000 51837.3793 -109848.2043 297.9101 -161685.5836 -109485.1674 298.4175 97.9684 119.9616 759437.0276 -3.7901 -3.7412 PRESSURE: 2845000 538.855 -217.402 61.0852 -217.401 94.0989 -117.916 61.0853 -117.915 112.438 GPRESSURE: 2845000 551.41 -183.555 115.426 -311.033 174.537 -75.8384 49.8344 -124.503 115.193 PRESSAVG: 2845000 21.7403 -49.0083 3.81519 -49.0083 29.7931 37.0648 3.81511 37.0647 -4.22659 GPRESSAVG: 2845000 20.2692 -49.9171 4.27271 -49.7125 30.2431 36.5598 6.56174 37.4017 -2.91907 TIMING: 2845000 CPU: 8885.78, 0.00309925/step Wall: 8885.78, 0.00309925/step, 1.85525 hours remaining, 234.562500 MB of memory in use. ENERGY: 2845000 4017.1590 20334.6641 14377.8165 224.0690 -203854.3580 3213.7395 0.0000 0.0000 51934.5956 -109752.3142 298.4688 -161686.9099 -109377.2237 298.7110 248.4641 280.3800 760632.2492 15.7689 15.8644 PRESSURE: 2845200 -76.5065 -72.2122 242.557 -72.2123 -221.541 -173.668 242.557 -173.667 -15.0189 GPRESSURE: 2845200 -82.2282 -59.4882 276.365 -53.9228 -147.589 -151.961 148.373 -165.459 3.16039 PRESSAVG: 2845200 -39.582 -47.5151 30.7556 -47.515 63.1662 23.4054 30.7556 23.4054 6.54048 GPRESSAVG: 2845200 -39.306 -49.8035 31.5196 -47.1113 63.5752 23.6552 29.9037 22.2217 5.67596 TIMING: 2845200 CPU: 8886.4, 0.0031278/step Wall: 8886.4, 0.0031278/step, 1.87216 hours remaining, 234.562500 MB of memory in use. ENERGY: 2845200 4008.1212 20406.1442 14412.4791 243.3304 -203259.3987 2642.7191 0.0000 0.0000 51962.8910 -109583.7137 298.6314 -161546.6047 -109232.6838 298.3212 -104.3556 -75.5524 759360.7204 10.0416 9.9817 PRESSURE: 2845400 19.2382 -89.6922 -159.421 -89.6911 -485.866 -36.544 -159.42 -36.5437 564.156 GPRESSURE: 2845400 -24.9072 -49.6053 -197.642 -36.6656 -357.036 -63.387 5.74405 -105.469 574.407 PRESSAVG: 2845400 -22.5569 -15.5294 19.6571 -15.5294 10.6918 -9.07188 19.6571 -9.07176 -30.0143 GPRESSAVG: 2845400 -21.549 -14.8694 17.2753 -15.237 9.9969 -7.33173 19.7566 -9.75064 -30.1164 TIMING: 2845400 CPU: 8887.03, 0.00314032/step Wall: 8887.03, 0.00314033/step, 1.87948 hours remaining, 234.562500 MB of memory in use. ENERGY: 2845400 4043.1448 20485.1775 14408.1767 263.9667 -203086.9133 2448.8612 0.0000 0.0000 51789.9898 -109647.5966 297.6378 -161437.5865 -109287.6567 298.6927 32.5093 64.1546 760653.2983 -13.9598 -13.8895 PRESSURE: 2845600 173.653 -67.5288 134.15 -67.53 58.028 75.1161 134.15 75.1157 -287.664 GPRESSURE: 2845600 199.729 -9.98746 135.835 -178.424 93.4397 93.9341 143.118 -117.759 -270.232 PRESSAVG: 2845600 -12.1962 -66.5612 -12.9903 -66.5612 25.2351 30.8209 -12.9903 30.8208 -14.3818 GPRESSAVG: 2845600 -12.5649 -66.1323 -10.6737 -67.0361 24.9983 30.3395 -14.1697 31.1735 -13.9878 TIMING: 2845600 CPU: 8887.65, 0.00312337/step Wall: 8887.65, 0.00312337/step, 1.86916 hours remaining, 234.562500 MB of memory in use. ENERGY: 2845600 3990.9807 20311.7798 14362.1869 238.1410 -203205.3186 2552.6548 0.0000 0.0000 51855.4209 -109894.1546 298.0138 -161749.5755 -109536.1571 298.4371 -18.6610 7.6456 761507.5141 -0.4476 -0.5181 PRESSURE: 2845800 -69.32 53.283 79.8591 53.2837 -36.6357 50.0566 79.8587 50.0558 24.7706 GPRESSURE: 2845800 -1.77521 31.7931 7.82882 62.3285 -16.034 68.2017 -44.4115 94.0135 6.64923 PRESSAVG: 2845800 31.7087 -57.8732 20.3746 -57.8732 -2.37781 -9.65027 20.3746 -9.65023 14.1561 GPRESSAVG: 2845800 31.2922 -59.1531 19.7509 -57.9464 -1.99673 -10.3801 20.6785 -9.5772 14.4202 TIMING: 2845800 CPU: 8888.28, 0.00313245/step Wall: 8888.28, 0.00313245/step, 1.87442 hours remaining, 234.562500 MB of memory in use. ENERGY: 2845800 3897.1267 20615.4227 14387.4596 247.6379 -203366.5658 2668.5864 0.0000 0.0000 51927.7209 -109622.6116 298.4293 -161550.3325 -109265.1227 298.4081 -27.0617 -3.7200 761986.4492 14.4957 14.5719 PRESSURE: 2846000 -266.714 100.486 -192.993 100.487 -156.086 163.585 -192.993 163.585 2.28467 GPRESSURE: 2846000 -190.583 68.1585 -75.9797 -8.5522 -167.564 127.811 -201.656 79.9711 46.4156 PRESSAVG: 2846000 -42.4818 -32.3257 -38.6848 -32.3257 9.99759 14.0402 -38.6849 14.0402 -1.94452 GPRESSAVG: 2846000 -41.1866 -32.7906 -38.2949 -32.8157 9.11999 14.2346 -37.0765 14.3086 -1.66536 TIMING: 2846000 CPU: 8888.91, 0.00312493/step Wall: 8888.91, 0.00312493/step, 1.86975 hours remaining, 234.562500 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: 2846000 4011.9479 20544.7932 14323.8797 253.1089 -203216.3475 2598.2000 0.0000 0.0000 51873.0441 -109611.3738 298.1151 -161484.4179 -109260.4676 298.3281 -140.1717 -103.9103 760639.7644 -11.4762 -11.2440 PRESSURE: 2846200 28.6843 -298.209 -82.0078 -298.208 58.635 -15.8402 -82.007 -15.8414 112.811 GPRESSURE: 2846200 -8.95557 -169.862 -82.7947 -251.061 187.909 -39.0967 -101.289 91.7636 123.206 PRESSAVG: 2846200 15.8105 -80.191 -34.1767 -80.191 2.14114 -22.9074 -34.1766 -22.9074 5.15532 GPRESSAVG: 2846200 15.9291 -79.6874 -35.6514 -79.3793 2.41085 -23.4353 -34.9734 -22.9338 4.13432 TIMING: 2846200 CPU: 8889.53, 0.00311065/step Wall: 8889.53, 0.00311065/step, 1.86104 hours remaining, 234.562500 MB of memory in use. ENERGY: 2846200 3921.7196 20332.3060 14370.1946 244.8578 -203415.1792 2634.3800 0.0000 0.0000 52092.8634 -109818.8578 299.3784 -161911.7212 -109455.5004 298.2296 66.7102 100.7199 760856.2613 7.7023 7.4914 PRESSURE: 2846400 -20.517 -139.948 -56.4398 -139.947 281.254 -99.4009 -56.4402 -99.4008 55.0299 GPRESSURE: 2846400 72.9616 -139.387 -12.2795 -133.426 258.406 -53.3814 -112.386 -30.6662 65.9015 PRESSAVG: 2846400 28.5035 -116.727 -29.8422 -116.727 -18.5188 22.1687 -29.8421 22.1687 7.94237 GPRESSAVG: 2846400 27.534 -115.688 -29.7046 -117.385 -18.1483 22.0539 -29.3974 22.7128 8.48972 TIMING: 2846400 CPU: 8890.15, 0.00310915/step Wall: 8890.15, 0.00310915/step, 1.85996 hours remaining, 234.562500 MB of memory in use. ENERGY: 2846400 3925.1232 20462.8133 14310.1512 235.7108 -203140.5948 2540.2354 0.0000 0.0000 51718.9165 -109947.6444 297.2293 -161666.5609 -109592.1915 297.5940 105.2556 132.4229 761566.3425 5.9757 5.9585 PRESSURE: 2846600 -425.445 30.3819 36.1022 30.3817 -318.065 -119.842 36.1015 -119.842 -307.899 GPRESSURE: 2846600 -394.042 78.4656 117.107 -15.5902 -248.323 -89.6006 11.2669 -104.67 -308.121 PRESSAVG: 2846600 -30.6897 -51.8708 -0.799201 -51.8708 26.2883 44.061 -0.799253 44.061 -2.07441 GPRESSAVG: 2846600 -29.6013 -50.382 0.166087 -52.0992 25.0618 43.6237 -1.03095 44.4424 -1.97802 TIMING: 2846600 CPU: 8890.77, 0.00310527/step Wall: 8890.77, 0.00310527/step, 1.85747 hours remaining, 234.562500 MB of memory in use. ENERGY: 2846600 4019.9718 20327.1853 14435.5665 232.4860 -203314.0583 2424.3048 0.0000 0.0000 51924.9240 -109949.6199 298.4133 -161874.5439 -109589.7405 297.1267 -350.4697 -316.8286 762996.2677 -2.1586 -2.1725 PRESSURE: 2846800 17.303 -26.4671 59.1458 -26.4664 -90.0677 -127.733 59.1455 -127.733 -165.478 GPRESSURE: 2846800 -62.6457 0.375224 23.7087 -45.8727 5.25806 -74.4732 90.2096 -101.953 -85.8055 PRESSAVG: 2846800 75.9078 25.7505 -63.5996 25.7504 -21.9563 26.0342 -63.5995 26.0342 12.1768 GPRESSAVG: 2846800 74.7519 22.9843 -63.3654 26.9236 -21.1403 25.4028 -64.1079 24.474 12.4305 TIMING: 2846800 CPU: 8891.39, 0.0031015/step Wall: 8891.39, 0.0031015/step, 1.85504 hours remaining, 234.562500 MB of memory in use. ENERGY: 2846800 3950.3359 20300.9781 14396.1297 241.0726 -203805.3804 2958.2708 0.0000 0.0000 52090.7892 -109867.8042 299.3665 -161958.5934 -109505.3978 298.0300 -79.4141 -47.7311 762007.1437 22.0427 22.0141 PRESSURE: 2847000 -7.3184 15.3513 103.928 15.3517 122.46 258.685 103.928 258.685 3.80375 GPRESSURE: 2847000 58.9955 67.4964 134.563 -29.9894 150.704 194.901 162.756 272.026 -13.9263 PRESSAVG: 2847000 -51.8879 -18.3241 -4.86475 -18.3241 -16.7036 32.4732 -4.86469 32.4733 -14.6894 GPRESSAVG: 2847000 -52.2471 -16.7559 -5.97883 -17.7255 -15.8051 33.682 -4.61578 33.3964 -14.805 TIMING: 2847000 CPU: 8892.01, 0.00310057/step Wall: 8892.01, 0.00310057/step, 1.85431 hours remaining, 234.562500 MB of memory in use. ENERGY: 2847000 3991.9774 20377.9204 14460.9633 256.4017 -203701.5817 3041.8434 0.0000 0.0000 51843.4504 -109729.0250 297.9450 -161572.4754 -109369.4216 298.4482 39.6485 65.2577 763035.5212 -27.7603 -27.6191 PRESSURE: 2847200 -128.758 -14.0148 263.017 -14.0138 -2.97215 33.1514 263.017 33.1514 -450.601 GPRESSURE: 2847200 -120.099 -17.0837 209.611 -92.1603 -78.6367 -62.6042 221.415 54.0889 -304.539 PRESSAVG: 2847200 29.4107 -11.7335 30.4342 -11.7335 -20.3059 14.7294 30.4342 14.7293 -11.9135 GPRESSAVG: 2847200 28.7348 -10.9346 31.796 -13.7545 -20.7917 15.4967 29.4865 12.8942 -10.5932 TIMING: 2847200 CPU: 8892.63, 0.00311212/step Wall: 8892.63, 0.00311212/step, 1.86105 hours remaining, 234.562500 MB of memory in use. ENERGY: 2847200 3970.9919 20547.9940 14420.3096 227.1631 -203512.8019 2833.3784 0.0000 0.0000 52048.2364 -109464.7285 299.1219 -161512.9649 -109109.4947 299.0549 -194.1105 -167.7582 764354.3461 -0.9362 -0.8834 PRESSURE: 2847400 -200.693 -217.782 238.795 -217.783 -342.797 -74.7789 238.795 -74.7777 -98.1221 GPRESSURE: 2847400 -182.756 -66.8686 273.124 -176.136 -205.45 -87.1832 112.237 -93.0454 -168.511 PRESSAVG: 2847400 10.8663 -16.846 32.7457 -16.846 -37.3674 27.9986 32.7457 27.9985 -25.3567 GPRESSAVG: 2847400 11.0376 -18.3601 30.9544 -16.5054 -36.5048 27.9446 30.9903 29.0245 -25.6667 TIMING: 2847400 CPU: 8893.26, 0.00310959/step Wall: 8893.26, 0.00310959/step, 1.85936 hours remaining, 234.562500 MB of memory in use. ENERGY: 2847400 4027.5293 20465.9858 14389.7962 249.0032 -203100.7447 2540.9048 0.0000 0.0000 51973.6162 -109453.9092 298.6931 -161427.5254 -109086.3115 298.9813 -213.8708 -185.5725 765330.5646 -17.2859 -17.0447 PRESSURE: 2847600 57.4322 -114 -82.8821 -113.999 -27.0595 134.039 -82.8809 134.038 -327.086 GPRESSURE: 2847600 58.1236 -93.4539 -137.776 -132.288 -61.7176 107.891 -73.8692 63.341 -224.681 PRESSAVG: 2847600 -3.0795 -41.1279 -35.7619 -41.1278 7.22895 -4.63436 -35.7618 -4.63441 23.0725 GPRESSAVG: 2847600 -3.15056 -41.4569 -34.9364 -40.5755 7.2166 -6.26457 -33.2734 -4.42997 22.6657 TIMING: 2847600 CPU: 8893.87, 0.00308868/step Wall: 8893.87, 0.00308868/step, 1.84669 hours remaining, 234.562500 MB of memory in use. ENERGY: 2847600 3960.8599 20681.0961 14433.9439 240.2034 -203284.1700 2526.8752 0.0000 0.0000 52220.6001 -109220.5916 300.1125 -161441.1917 -108867.7940 299.3640 -98.9044 -76.0917 762473.4715 9.0740 8.9106 PRESSURE: 2847800 78.8689 40.2792 -224.946 40.2788 387.101 -127.33 -224.947 -127.331 -62.0252 GPRESSURE: 2847800 179.224 -86.2466 -218.206 76.0978 351.752 -139.24 -220.578 -167.606 -24.6203 PRESSAVG: 2847800 2.42472 12.3812 -17.3274 12.3811 -32.1461 4.15511 -17.3275 4.15513 14.7729 GPRESSAVG: 2847800 3.32281 10.9447 -17.7152 13.0586 -33.0226 6.66386 -18.1607 3.94588 15.3073 TIMING: 2847800 CPU: 8894.49, 0.00310852/step Wall: 8894.49, 0.00310852/step, 1.85838 hours remaining, 234.562500 MB of memory in use. ENERGY: 2847800 3992.6186 20732.8670 14434.4717 250.0591 -203261.1081 2576.0652 0.0000 0.0000 51880.6167 -109394.4098 298.1586 -161275.0265 -109050.4272 299.6009 134.6481 168.7855 759454.0460 -4.9828 -4.7975 PRESSURE: 2848000 151.171 -173.964 -157.887 -173.963 501.892 -12.8934 -157.888 -12.8938 -71.9015 GPRESSURE: 2848000 167.838 -135.436 -191.126 -43.2848 497.434 -21.2309 27.754 32.3597 1.83522 PRESSAVG: 2848000 -57.9662 5.33601 23.1253 5.33602 57.5303 20.3551 23.1253 20.3551 31.7859 GPRESSAVG: 2848000 -58.7446 7.68092 23.285 5.15108 58.5914 19.4031 23.5252 21.1327 32.118 TIMING: 2848000 CPU: 8895.12, 0.00313185/step Wall: 8895.12, 0.00313185/step, 1.87215 hours remaining, 234.562500 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: 2848000 3951.0022 20435.3008 14423.8430 249.8569 -203860.0102 3246.7019 0.0000 0.0000 52276.9186 -109276.3868 300.4362 -161553.3055 -108910.8498 299.1552 193.7205 222.3691 760905.1183 10.4500 10.6549 PRESSURE: 2848200 -20.9773 340.12 -14.311 340.121 37.1959 302.478 -14.3113 302.477 -236.781 GPRESSURE: 2848200 51.2325 262.966 62.343 286.438 98.7103 264.844 -73.1224 342.447 -273.783 PRESSAVG: 2848200 -21.8102 7.74897 -5.56365 7.74892 38.5914 -36.5903 -5.56366 -36.5904 -5.54574 GPRESSAVG: 2848200 -21.5905 6.37834 -5.4036 8.46146 38.2344 -35.7231 -6.07171 -38.5281 -5.38238 TIMING: 2848200 CPU: 8895.74, 0.00310744/step Wall: 8895.74, 0.00310744/step, 1.85738 hours remaining, 234.562500 MB of memory in use. ENERGY: 2848200 3965.0523 20606.2773 14419.3580 246.1596 -203213.6628 2717.0543 0.0000 0.0000 51997.0422 -109262.7190 298.8277 -161259.7612 -108908.1708 299.6312 -73.5208 -41.2801 762274.9576 3.7452 3.7538 LDB: ============= START OF LOAD BALANCING ============== 8908.22 LDB: ============== END OF LOAD BALANCING =============== 8908.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8908.22 LDB: ============= START OF LOAD BALANCING ============== 8908.53 LDB: Largest compute 7041 load 0.032291 is 16.5% of average load 0.195121 LDB: Average compute 0.004407 is 2.3% of average load 0.195121 LDB: TIME 8908.53 LOAD: AVG 0.195121 MAX 0.216815 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.539 MB LDB: TIME 8908.53 LOAD: AVG 0.195121 MAX 0.216815 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.539 MB LDB: TIME 8908.53 LOAD: AVG 0.195121 MAX 0.216815 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.539 MB LDB: ============== END OF LOAD BALANCING =============== 8908.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8908.54 PRESSURE: 2848400 -163.558 -87.2986 127.546 -87.2978 80.6104 -15.6431 127.546 -15.6432 -282.562 GPRESSURE: 2848400 -112.531 -45.2642 129.072 -120.516 100.648 -100.898 211.83 4.85985 -257.979 PRESSAVG: 2848400 4.8039 -15.9969 45.4421 -15.9969 -16.3339 1.17586 45.442 1.17584 -11.5279 GPRESSAVG: 2848400 4.8929 -17.1204 44.9891 -17.3211 -17.1594 -0.110704 45.534 3.46629 -10.9031 TIMING: 2848400 CPU: 8896.38, 0.0031672/step Wall: 8896.38, 0.00316719/step, 1.89293 hours remaining, 234.824219 MB of memory in use. ENERGY: 2848400 3998.7314 20486.8664 14322.8300 244.2468 -203397.5056 2682.4891 0.0000 0.0000 52339.9422 -109322.3997 300.7984 -161662.3419 -108957.7114 298.9916 -121.8364 -89.9538 760653.9726 -7.6859 -7.7232 PRESSURE: 2848600 -128.504 139.322 -4.94726 139.322 133.221 -231.21 -4.94697 -231.209 280.323 GPRESSURE: 2848600 -103.886 149.087 4.15767 181.1 173.776 -139.707 -57.1201 -268.596 325.662 PRESSAVG: 2848600 -17.4231 -0.0747686 -6.1657 -0.0747771 51.1727 20.0228 -6.16575 20.0229 27.8632 GPRESSAVG: 2848600 -17.0197 0.847038 -7.19145 2.32979 52.8301 20.8485 -6.29618 17.9339 25.6793 TIMING: 2848600 CPU: 8897, 0.003104/step Wall: 8897, 0.003104/step, 1.85499 hours remaining, 234.824219 MB of memory in use. ENERGY: 2848600 3926.7498 20663.2412 14429.1391 261.7178 -202924.7192 2368.1340 0.0000 0.0000 51939.8044 -109335.9329 298.4988 -161275.7373 -108972.9572 299.0047 95.0136 131.8507 760620.3792 20.5376 20.4966 PRESSURE: 2848800 111.631 -60.5506 102.431 -60.5507 -168.056 -1.70351 102.431 -1.70418 -346.853 GPRESSURE: 2848800 75.9919 -59.1038 46.3279 -73.4796 -102.581 -18.2633 45.5933 -16.0343 -290.42 PRESSAVG: 2848800 29.4672 -16.3629 26.3932 -16.3629 -11.327 -19.684 26.3932 -19.6839 -6.53323 GPRESSAVG: 2848800 30.2801 -15.9736 26.9761 -18.9039 -12.4422 -20.5769 24.9051 -16.5613 -6.16769 TIMING: 2848800 CPU: 8897.62, 0.00311359/step Wall: 8897.62, 0.00311359/step, 1.86054 hours remaining, 234.824219 MB of memory in use. ENERGY: 2848800 4032.1888 20470.1510 14340.3757 226.5377 -203321.7653 2867.8873 0.0000 0.0000 51956.0189 -109428.6058 298.5920 -161384.6247 -109079.2519 298.7285 -134.4261 -105.6696 761722.7456 3.8690 3.8901 PRESSURE: 2849000 156.043 -169.391 -333.298 -169.391 -52.9346 354.002 -333.298 354.001 157.881 GPRESSURE: 2849000 222.822 -218.432 -188.677 -229.333 -62.0736 316.683 -285.652 292.84 175.293 PRESSAVG: 2849000 9.17961 -22.4537 -1.39194 -22.4537 -44.8332 60.1297 -1.39196 60.1297 -18.0081 GPRESSAVG: 2849000 8.56035 -21.0984 0.797451 -22.6341 -44.8228 59.9505 0.348377 57.6247 -17.4476 TIMING: 2849000 CPU: 8898.24, 0.00311629/step Wall: 8898.24, 0.00311629/step, 1.86198 hours remaining, 234.824219 MB of memory in use. ENERGY: 2849000 3962.8635 20439.4223 14412.9036 254.8166 -202764.7762 2483.2265 0.0000 0.0000 51822.0574 -109389.4862 297.8221 -161211.5437 -109034.7031 298.8451 86.9964 112.0140 762974.3020 -17.8872 -17.9033 PRESSURE: 2849200 265.19 -129.169 -65.9463 -129.169 -126.465 -18.8299 -65.9457 -18.8298 592.806 GPRESSURE: 2849200 285.932 -62.9734 -27.2423 -153.884 45.9761 -33.9661 -155.188 -60.3126 498.286 PRESSAVG: 2849200 36.0472 -65.0894 44.9214 -65.0895 -62.2005 34.5145 44.9214 34.5145 7.04236 GPRESSAVG: 2849200 35.5523 -66.2204 42.4554 -62.8919 -60.189 35.6815 44.2063 34.9139 5.95327 TIMING: 2849200 CPU: 8898.86, 0.00310245/step Wall: 8898.86, 0.00310245/step, 1.85354 hours remaining, 234.824219 MB of memory in use. ENERGY: 2849200 4015.5938 20607.3920 14474.2279 241.5900 -203383.1293 2779.9048 0.0000 0.0000 51909.5936 -109354.8273 298.3251 -161264.4208 -108990.0240 298.9951 243.8439 276.7315 761722.4201 -6.3703 -6.2278 PRESSURE: 2849400 253.249 -96.0424 98.2969 -96.0424 4.48119 109.567 98.2973 109.568 58.2646 GPRESSURE: 2849400 246.032 -88.3855 104.668 -162.014 24.7238 135.603 87.9602 195.576 116.674 PRESSAVG: 2849400 -62.1595 -36.6489 0.672002 -36.649 21.4249 31.7398 0.671993 31.7398 22.9539 GPRESSAVG: 2849400 -61.7667 -36.15 1.34765 -39.1078 20.0558 30.4484 2.25134 32.981 24.3384 TIMING: 2849400 CPU: 8899.48, 0.00310771/step Wall: 8899.48, 0.00310771/step, 1.85651 hours remaining, 234.824219 MB of memory in use. ENERGY: 2849400 4076.8445 20696.3650 14484.6040 248.8200 -203550.5082 2788.1067 0.0000 0.0000 51908.5263 -109347.2416 298.3190 -161255.7680 -108997.7054 299.2184 105.3315 129.1433 762670.9661 -5.9269 -5.7908 PRESSURE: 2849600 4.50813 -19.9868 153.592 -19.9855 -141.587 77.4577 153.592 77.4588 -286.411 GPRESSURE: 2849600 67.8082 25.789 275.964 210.253 -100.121 102.053 152.187 -4.34573 -306.634 PRESSAVG: 2849600 -73.1751 -38.0427 13.8808 -38.0428 37.8404 15.2531 13.8808 15.253 0.0266142 GPRESSAVG: 2849600 -72.5481 -39.1704 15.1787 -36.5468 37.771 16.2739 12.6944 15.2161 -0.331412 TIMING: 2849600 CPU: 8900.1, 0.00309355/step Wall: 8900.1, 0.00309355/step, 1.84788 hours remaining, 234.824219 MB of memory in use. ENERGY: 2849600 4026.9915 20511.3810 14346.4983 265.4702 -203428.7683 2783.3063 0.0000 0.0000 51920.2218 -109574.8992 298.3862 -161495.1210 -109207.3665 299.1758 -141.1630 -112.9822 762407.5014 -11.7694 -11.7028 PRESSURE: 2849800 50.8874 -124.802 -0.467884 -124.803 -68.02 -261.993 -0.46744 -261.993 324.868 GPRESSURE: 2849800 92.0999 -137.655 19.3177 -115.612 -66.874 -306.99 56.6427 -269.312 335.885 PRESSAVG: 2849800 33.9899 -10.9158 -4.89657 -10.9158 -38.9498 17.7393 -4.89661 17.7392 6.29558 GPRESSAVG: 2849800 33.2846 -10.3616 -5.7744 -13.3373 -38.2331 16.6223 -2.98776 17.1288 6.20225 TIMING: 2849800 CPU: 8900.72, 0.00309352/step Wall: 8900.72, 0.00309352/step, 1.84769 hours remaining, 234.824219 MB of memory in use. ENERGY: 2849800 3990.6070 20490.7182 14395.9460 255.7399 -203594.3792 2691.9976 0.0000 0.0000 51949.5458 -109819.8246 298.5548 -161769.3704 -109450.6576 298.7308 102.5784 120.3704 761222.5500 0.4452 0.4179 PRESSURE: 2850000 -140.793 -82.6311 -185.731 -82.6308 -87.32 111.122 -185.73 111.122 -68.5309 GPRESSURE: 2850000 -105.967 -10.9888 -227.015 -49.8744 -23.6286 87.0505 -69.1491 77.7583 -54.9523 PRESSAVG: 2850000 -8.23138 -16.0812 11.5209 -16.0811 27.2071 -41.07 11.5209 -41.0701 41.6741 GPRESSAVG: 2850000 -7.97011 -15.6553 10.049 -14.3735 27.1223 -38.1756 9.48314 -42.27 41.9889 TIMING: 2850000 CPU: 8901.34, 0.00308953/step Wall: 8901.34, 0.00308953/step, 1.84514 hours remaining, 234.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2850000 3986.6121 20532.9005 14444.9162 245.7817 -203219.4427 2457.7356 0.0000 0.0000 52104.0720 -109447.4245 299.4428 -161551.4965 -109079.1971 298.8838 -98.8812 -61.5159 762959.8163 20.2166 20.3804 PRESSURE: 2850200 -208.784 56.6144 273.03 56.6135 -302.388 -47.9024 273.029 -47.9015 25.6421 GPRESSURE: 2850200 -123.994 -20.6336 224.057 -61.5256 -247.415 45.9748 282.959 -10.8682 -9.85455 PRESSAVG: 2850200 -15.0636 -7.32264 3.85405 -7.3227 -30.86 -23.3251 3.85399 -23.3252 -2.57709 GPRESSAVG: 2850200 -14.0174 -8.37539 5.13922 -9.31748 -32.3043 -24.7973 3.49224 -21.9665 -2.3931 TIMING: 2850200 CPU: 8901.96, 0.00309126/step Wall: 8901.96, 0.00309126/step, 1.846 hours remaining, 234.824219 MB of memory in use. ENERGY: 2850200 3961.7548 20473.7212 14463.6608 262.5383 -203653.6840 2974.1422 0.0000 0.0000 51858.4448 -109659.4219 298.0312 -161517.8667 -109289.4471 298.9118 -161.8434 -127.0879 762694.9085 -16.1669 -16.2383 PRESSURE: 2850400 62.9303 -9.64935 -2.74794 -9.64958 -255.753 -91.6309 -2.74758 -91.6319 -284.669 GPRESSURE: 2850400 60.3169 -35.6338 -50.0609 49.3388 -171.253 -63.7798 -50.1115 -76.4388 -278.461 PRESSAVG: 2850400 16.4143 -17.5156 56.4761 -17.5156 -11.9496 -35.3488 56.4761 -35.3489 -8.37152 GPRESSAVG: 2850400 14.8073 -17.1641 54.2342 -17.9126 -10.733 -35.3476 57.714 -34.8038 -8.07535 TIMING: 2850400 CPU: 8902.58, 0.00309627/step Wall: 8902.58, 0.00309627/step, 1.84882 hours remaining, 234.824219 MB of memory in use. ENERGY: 2850400 4003.9076 20566.8518 14444.2918 241.0113 -203514.1543 2760.0158 0.0000 0.0000 51955.4349 -109542.6411 298.5886 -161498.0760 -109187.1597 298.8191 -159.1639 -129.7989 760829.1578 -1.3023 -1.3337 PRESSURE: 2850600 107.348 205.818 217.862 205.816 71.433 1.17903 217.862 1.17804 339.782 GPRESSURE: 2850600 61.5899 50.1352 252.048 187.639 171.18 -32.5513 226.659 -99.6121 355.755 PRESSAVG: 2850600 -51.0655 -9.91157 25.8454 -9.91153 44.1876 -33.4508 25.8455 -33.4507 0.00706179 GPRESSAVG: 2850600 -50.7191 -10.7726 27.704 -8.39347 44.6532 -35.2346 27.653 -32.0004 -0.854043 TIMING: 2850600 CPU: 8903.2, 0.00310208/step Wall: 8903.2, 0.00310208/step, 1.85211 hours remaining, 234.824219 MB of memory in use. ENERGY: 2850600 3972.7486 20640.7097 14444.5999 253.5204 -203525.3610 2656.2341 0.0000 0.0000 51965.5229 -109592.0252 298.6466 -161557.5482 -109237.9922 298.6932 172.8544 196.1749 760295.5480 -2.2903 -2.3067 PRESSURE: 2850800 -72.7651 -129.3 -100.878 -129.299 101.151 56.6965 -100.879 56.6965 -114.09 GPRESSURE: 2850800 3.89475 -183.66 -27.9277 -186.942 31.3288 159.235 21.6777 -21.4753 -58.5124 PRESSAVG: 2850800 -68.5804 -64.7355 2.67832 -64.7355 27.2623 15.8704 2.6783 15.8704 17.7288 GPRESSAVG: 2850800 -66.8108 -61.9832 3.72056 -66.5048 25.771 19.1393 -0.282558 12.2091 17.3926 TIMING: 2850800 CPU: 8903.82, 0.00311/step Wall: 8903.82, 0.00311/step, 1.85667 hours remaining, 234.824219 MB of memory in use. ENERGY: 2850800 4119.3631 20491.1718 14325.9824 234.2940 -203497.3158 2812.6868 0.0000 0.0000 52207.1838 -109306.6339 300.0354 -161513.8176 -108939.7252 299.3440 -28.5677 -7.7629 762141.3016 -7.8631 -7.8824 PRESSURE: 2851000 192.171 43.628 -0.914611 43.6268 -367.471 47.395 -0.914599 47.395 37.694 GPRESSURE: 2851000 144.451 74.734 29.8554 91.6868 -301.675 39.7911 -59.7683 -54.5745 139.144 PRESSAVG: 2851000 -24.3017 -23.1693 -9.3914 -23.1693 -34.572 2.44148 -9.39136 2.44148 17.9401 GPRESSAVG: 2851000 -25.7166 -24.8233 -11.0284 -22.2287 -34.2765 1.87764 -7.98452 2.28281 19.2918 TIMING: 2851000 CPU: 8904.44, 0.00308902/step Wall: 8904.44, 0.00308902/step, 1.84397 hours remaining, 234.824219 MB of memory in use. ENERGY: 2851000 3963.8442 20478.5959 14385.7101 258.2519 -203338.8776 2591.0416 0.0000 0.0000 52113.8868 -109547.5470 299.4992 -161661.4339 -109185.0018 299.6645 -45.8687 -6.0267 760750.7905 -13.6445 -13.5671 PRESSURE: 2851200 520.909 185.576 -61.7845 185.575 -40.6056 -17.3318 -61.7855 -17.3313 309.002 GPRESSURE: 2851200 531.391 140.096 -36.4417 178.626 45.8637 6.60842 31.5506 33.0387 289.126 PRESSAVG: 2851200 29.7988 -80.7987 -32.5351 -80.7987 -11.8791 -68.8733 -32.5351 -68.8734 15.5828 GPRESSAVG: 2851200 29.1518 -80.2565 -31.4637 -80.5742 -11.4575 -70.2271 -33.4108 -66.1743 15.8143 TIMING: 2851200 CPU: 8905.06, 0.00310164/step Wall: 8905.06, 0.00310164/step, 1.85133 hours remaining, 234.824219 MB of memory in use. ENERGY: 2851200 3984.8719 20594.2056 14321.5251 255.2709 -203540.1621 3067.6931 0.0000 0.0000 51809.9801 -109506.6155 297.7527 -161316.5955 -109155.2978 298.5117 263.1018 288.7935 762187.7602 11.1675 11.1695 PRESSURE: 2851400 -198.902 101.559 -101.373 101.557 -46.4439 94.3788 -101.374 94.3792 -66.0641 GPRESSURE: 2851400 -162.938 44.2759 -78.5606 126.37 63.7642 102.346 -68.7298 -7.90242 -111.53 PRESSAVG: 2851400 11.6811 1.63061 17.7017 1.63059 -0.74538 2.51279 17.7017 2.51281 1.20604 GPRESSAVG: 2851400 11.8185 4.26611 16.1508 0.286531 0.066617 1.93452 19.3859 0.785261 0.965971 TIMING: 2851400 CPU: 8905.68, 0.00309091/step Wall: 8905.68, 0.00309091/step, 1.84476 hours remaining, 234.824219 MB of memory in use. ENERGY: 2851400 3981.3463 20569.1174 14336.9177 243.6173 -202776.0248 2235.1486 0.0000 0.0000 51945.6929 -109464.1847 298.5326 -161409.8775 -109101.0764 299.0081 -103.8033 -70.2345 762971.8963 4.0473 4.2837 PRESSURE: 2851600 583.722 190.805 94.0049 190.805 34.2626 -172.608 94.0052 -172.607 327.072 GPRESSURE: 2851600 652.688 231.789 211.338 103.774 4.22445 -154.604 147.502 -71.9646 372.831 PRESSAVG: 2851600 -24.0708 -35.5177 9.87327 -35.5177 36.1757 -12.2822 9.87336 -12.2822 -3.58295 GPRESSAVG: 2851600 -25.2236 -38.0539 12.4509 -34.5607 37.041 -12.1453 8.16827 -10.6139 -3.56158 TIMING: 2851600 CPU: 8906.3, 0.0031078/step Wall: 8906.3, 0.0031078/step, 1.85467 hours remaining, 234.824219 MB of memory in use. ENERGY: 2851600 3982.5686 20614.1551 14446.6642 249.0221 -203748.4451 2885.7446 0.0000 0.0000 51996.5713 -109573.7193 298.8250 -161570.2906 -109212.9266 298.6663 315.0191 343.2478 759460.0353 2.8407 2.7519 PRESSURE: 2851800 -139.159 306.205 -81.8146 306.206 210.643 3.02941 -81.8145 3.02977 -129.799 GPRESSURE: 2851800 -138.818 166.02 -43.2004 117.623 242.215 62.1595 -127.992 136.751 -78.8007 PRESSAVG: 2851800 22.099 -3.52511 -6.48277 -3.5252 -1.12451 18.7013 -6.48279 18.7012 -16.3233 GPRESSAVG: 2851800 23.0539 -4.49368 -7.74732 -4.35417 -1.40417 19.9051 -8.02681 19.5595 -16.7942 TIMING: 2851800 CPU: 8906.92, 0.00310507/step Wall: 8906.92, 0.00310506/step, 1.85286 hours remaining, 234.824219 MB of memory in use. ENERGY: 2851800 4001.0148 20626.6324 14453.5041 255.6182 -203374.7759 2656.8773 0.0000 0.0000 51839.0990 -109542.0301 297.9200 -161381.1291 -109184.4956 298.8248 -19.4384 8.1989 760277.0339 1.5504 1.6185 PRESSURE: 2852000 -209.652 -109.925 -205.488 -109.926 -200.32 -74.2598 -205.488 -74.2592 93.1905 GPRESSURE: 2852000 -65.2754 -113.822 -199.269 -161.567 -227.813 -186.052 -131.081 -168.093 80.2615 PRESSAVG: 2852000 19.7601 -14.3871 -12.2543 -14.387 -11.4066 15.2398 -12.2543 15.2398 14.39 GPRESSAVG: 2852000 19.4217 -13.7553 -13.3385 -12.0729 -12.5565 15.1443 -9.77488 14.2062 15.5733 TIMING: 2852000 CPU: 8907.54, 0.00312362/step Wall: 8907.54, 0.00312362/step, 1.86376 hours remaining, 234.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2852000 3954.7910 20418.1667 14428.2820 235.5430 -203449.9105 2722.6266 0.0000 0.0000 51936.3725 -109754.1287 298.4790 -161690.5012 -109393.9427 299.0454 -105.5939 -70.9422 761864.5019 7.5812 7.4795 PRESSURE: 2852200 -90.1094 10.7823 -189.045 10.782 -291.239 -39.2168 -189.045 -39.2174 -145.408 GPRESSURE: 2852200 14.2401 -17.4273 -170.952 13.6922 -264.591 -44.1505 -390.284 108.272 -193.558 PRESSAVG: 2852200 6.33334 -0.22944 -8.12141 -0.229434 5.5812 1.56991 -8.12138 1.56991 -17.346 GPRESSAVG: 2852200 7.74182 -0.533979 -6.96985 -0.599772 5.11627 1.86682 -9.2768 1.74516 -18.2437 TIMING: 2852200 CPU: 8908.17, 0.00311665/step Wall: 8908.17, 0.00311665/step, 1.85943 hours remaining, 234.824219 MB of memory in use. ENERGY: 2852200 4030.7584 20497.4749 14378.4465 231.1837 -203295.8280 2646.7526 0.0000 0.0000 51725.0154 -109786.1964 297.2644 -161511.2118 -109419.3731 297.9498 -175.5853 -147.9697 762581.4268 -1.8105 -1.7952 LDB: ============= START OF LOAD BALANCING ============== 8920.65 LDB: ============== END OF LOAD BALANCING =============== 8920.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8920.65 LDB: ============= START OF LOAD BALANCING ============== 8920.96 LDB: Largest compute 7070 load 0.030972 is 15.9% of average load 0.195134 LDB: Average compute 0.004399 is 2.3% of average load 0.195134 LDB: TIME 8920.96 LOAD: AVG 0.195134 MAX 0.218502 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.742 MB LDB: TIME 8920.97 LOAD: AVG 0.195134 MAX 0.218502 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.742 MB LDB: TIME 8920.97 LOAD: AVG 0.195134 MAX 0.215896 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.742 MB LDB: ============== END OF LOAD BALANCING =============== 8920.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8920.97 PRESSURE: 2852400 60.9985 -65.8818 -109.627 -65.8811 -225.526 -4.68795 -109.627 -4.68715 425.476 GPRESSURE: 2852400 41.2311 -110.793 -139.219 -4.57534 -174.742 -4.41228 -28.7569 20.1788 466.619 PRESSAVG: 2852400 28.4741 -5.63941 8.58758 -5.63945 -24.8404 -19.8141 8.58758 -19.8141 -3.06193 GPRESSAVG: 2852400 26.992 -4.37706 6.60867 -6.09343 -23.6994 -21.9319 9.11256 -20.2742 -2.79506 TIMING: 2852400 CPU: 8908.81, 0.0031975/step Wall: 8908.81, 0.0031975/step, 1.90748 hours remaining, 235.535156 MB of memory in use. ENERGY: 2852400 3948.4674 20425.7359 14433.0771 239.2119 -203554.7497 2793.1205 0.0000 0.0000 52047.5110 -109667.6258 299.1178 -161715.1369 -109302.9929 298.2738 86.9829 111.0361 761624.6977 0.1906 0.1658 PRESSURE: 2852600 14.2575 123.579 69.351 123.579 449.524 214.899 69.3506 214.899 94.9006 GPRESSURE: 2852600 96.6136 72.6808 21.3209 -2.21145 506.683 146.844 15.9549 239.519 37.2039 PRESSAVG: 2852600 -24.2595 27.6012 1.55658 27.6013 5.74526 48.2143 1.55651 48.2143 -5.98904 GPRESSAVG: 2852600 -24.4796 26.8053 2.98908 27.2723 6.36949 49.8564 4.03499 46.8755 -6.27608 TIMING: 2852600 CPU: 8909.43, 0.00311678/step Wall: 8909.43, 0.00311678/step, 1.85916 hours remaining, 235.535156 MB of memory in use. ENERGY: 2852600 3894.5133 20470.9751 14339.2949 230.2726 -203654.9012 2965.3577 0.0000 0.0000 51892.5375 -109861.9502 298.2271 -161754.4877 -109506.1920 297.8410 186.2274 213.5003 762331.0206 -8.1678 -8.1287 PRESSURE: 2852800 -50.8489 -21.6938 -8.53879 -21.6949 -404.401 -145.125 -8.53828 -145.125 -116.984 GPRESSURE: 2852800 -28.8844 -59.2153 52.4758 97.9092 -356.942 -199.174 111.137 -157.147 -100.761 PRESSAVG: 2852800 -13.4222 -50.2331 -15.1118 -50.2331 -4.41455 0.804071 -15.1118 0.804035 11.4004 GPRESSAVG: 2852800 -12.1032 -50.7488 -16.8692 -48.9329 -6.49628 1.34026 -15.6052 0.89517 11.6808 TIMING: 2852800 CPU: 8910.06, 0.00313084/step Wall: 8910.06, 0.00313084/step, 1.86738 hours remaining, 235.535156 MB of memory in use. ENERGY: 2852800 3895.6661 20510.2355 14390.5651 238.7487 -203477.0364 2672.9400 0.0000 0.0000 52062.6280 -109706.2531 299.2046 -161768.8811 -109349.1945 298.1635 -190.7449 -162.1957 763867.7687 -2.1455 -2.3062 PRESSURE: 2853000 262.726 6.74056 38.2089 6.74076 111.589 -129.713 38.2094 -129.713 373.844 GPRESSURE: 2853000 254.672 90.1425 -60.28 -53.8941 183.877 -117.165 127.376 -102.459 403.39 PRESSAVG: 2853000 -12.2647 1.0507 -1.52958 1.05067 1.08535 -39.2709 -1.5296 -39.2709 -9.79341 GPRESSAVG: 2853000 -14.4311 2.09475 -0.395931 0.435031 2.86655 -39.9076 -3.89963 -38.7787 -10.1294 TIMING: 2853000 CPU: 8910.68, 0.00311586/step Wall: 8910.68, 0.00311586/step, 1.85827 hours remaining, 235.535156 MB of memory in use. ENERGY: 2853000 3947.1099 20283.0996 14437.2616 242.4323 -203844.7275 3103.2715 0.0000 0.0000 51949.6958 -109881.8568 298.5556 -161831.5526 -109526.7193 297.8955 249.3861 280.6462 761952.9840 -6.9909 -7.2313 PRESSURE: 2853200 260.006 134.048 214.261 134.048 -55.6273 116.703 214.26 116.703 353.368 GPRESSURE: 2853200 279.737 137.984 311.819 37.31 48.682 134.085 145.154 247.144 327.149 PRESSAVG: 2853200 26.8591 -22.2109 55.832 -22.2108 -2.40462 -43.756 55.832 -43.7561 18.7755 GPRESSAVG: 2853200 28.8863 -21.2379 55.3973 -22.1302 -3.04809 -42.8547 54.0087 -41.9625 17.47 TIMING: 2853200 CPU: 8911.3, 0.00311792/step Wall: 8911.3, 0.00311792/step, 1.85932 hours remaining, 235.535156 MB of memory in use. ENERGY: 2853200 4013.7473 20381.5435 14326.1267 253.8015 -203774.3959 3104.2863 0.0000 0.0000 51947.8128 -109747.0777 298.5448 -161694.8906 -109392.6204 297.6079 185.9154 218.5227 762489.6548 14.4100 14.4361 PRESSURE: 2853400 115.687 -62.1669 184.205 -62.1675 280.016 67.3966 184.204 67.3971 166.862 GPRESSURE: 2853400 172.732 -179.998 217.744 -130.665 219.425 40.1705 263.178 47.4963 235.389 PRESSAVG: 2853400 -6.58105 -11.4672 52.7138 -11.4672 -0.00538328 -22.7017 52.7138 -22.7016 -6.59343 GPRESSAVG: 2853400 -6.03439 -12.8484 54.6565 -13.4402 -1.35979 -23.3186 56.8236 -22.1999 -5.59265 TIMING: 2853400 CPU: 8911.93, 0.00311904/step Wall: 8911.93, 0.00311904/step, 1.85981 hours remaining, 235.535156 MB of memory in use. ENERGY: 2853400 3999.6488 20610.3378 14442.6186 246.8320 -203611.3915 2972.6327 0.0000 0.0000 51610.6196 -109728.7020 296.6069 -161339.3217 -109390.3264 297.6590 187.5216 209.1817 762904.8940 -4.3933 -4.3289 PRESSURE: 2853600 -240.324 64.5567 -125.638 64.5566 -157.956 -277.458 -125.638 -277.458 -290.721 GPRESSURE: 2853600 -168.368 19.9141 -79.7696 46.9339 -109.625 -263.159 -53.8595 -213.681 -310.175 PRESSAVG: 2853600 19.4456 -10.5486 -28.7451 -10.5486 4.20678 15.7508 -28.7451 15.7507 14.4687 GPRESSAVG: 2853600 18.5549 -12.3246 -30.6678 -6.51058 4.61083 16.8786 -29.3924 13.5717 14.7971 TIMING: 2853600 CPU: 8912.55, 0.00311116/step Wall: 8912.55, 0.00311116/step, 1.85495 hours remaining, 235.535156 MB of memory in use. ENERGY: 2853600 4004.8665 20399.0016 14467.1340 230.1483 -203466.5568 2759.0482 0.0000 0.0000 51784.7814 -109821.5768 297.6079 -161606.3582 -109455.0748 298.0938 -229.6669 -196.0560 762295.3299 12.7070 12.6543 PRESSURE: 2853800 134.631 30.7879 -79.4897 30.7878 182.211 184.279 -79.4892 184.28 262.174 GPRESSURE: 2853800 142.415 -94.584 -75.4286 78.0123 215.969 133.315 -161.75 149.016 311.153 PRESSAVG: 2853800 42.8115 16.6373 -28.4023 16.6374 -12.7303 38.7449 -28.4023 38.7448 -14.9675 GPRESSAVG: 2853800 41.966 17.9558 -27.9266 13.9941 -11.0477 37.5639 -30.2914 38.9985 -15.4182 TIMING: 2853800 CPU: 8913.17, 0.00312459/step Wall: 8913.17, 0.00312459/step, 1.86278 hours remaining, 235.535156 MB of memory in use. ENERGY: 2853800 3935.8218 20766.8304 14468.2678 239.3570 -203388.9995 2693.5062 0.0000 0.0000 51451.7180 -109833.4983 295.6937 -161285.2163 -109490.0391 297.4616 193.0054 223.1790 763474.0073 5.0379 5.1667 PRESSURE: 2854000 43.3466 -108.908 -53.4807 -108.908 -5.28912 -341.501 -53.4808 -341.502 160.908 GPRESSURE: 2854000 10.2359 -112.221 -47.4354 -21.9175 11.5487 -364.279 -88.7235 -322.121 246.906 PRESSAVG: 2854000 -39.7462 -3.64061 -7.16897 -3.64062 57.7114 24.5281 -7.16903 24.528 3.9848 GPRESSAVG: 2854000 -39.7246 -4.3309 -7.69067 -1.9739 56.7674 25.7547 -6.5231 25.4988 4.55284 TIMING: 2854000 CPU: 8913.8, 0.00312569/step Wall: 8913.8, 0.00312569/step, 1.86326 hours remaining, 235.535156 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: 2854000 3961.2454 20417.3453 14359.3883 253.0477 -203514.4360 2523.4747 0.0000 0.0000 52159.3451 -109840.5896 299.7605 -161999.9347 -109472.9069 298.0541 66.3218 89.5636 761746.5427 7.3167 7.1985 PRESSURE: 2854200 12.5099 -225.245 -198.434 -225.246 -138.018 2.31093 -198.433 2.31124 40.5915 GPRESSURE: 2854200 28.9471 -157.201 -189.151 -136.572 -81.3173 63.4944 -78.9252 -40.0031 30.3493 PRESSAVG: 2854200 24.7572 -26.6665 8.49605 -26.6665 -21.8457 50.4142 8.49609 50.4141 10.5017 GPRESSAVG: 2854200 24.6647 -26.0413 9.54609 -26.8922 -22.3194 51.1126 7.17128 50.3907 10.8352 TIMING: 2854200 CPU: 8914.42, 0.0031/step Wall: 8914.42, 0.0031/step, 1.84777 hours remaining, 235.535156 MB of memory in use. ENERGY: 2854200 3938.3722 20448.0433 14440.1237 255.6012 -203360.7642 2683.8606 0.0000 0.0000 51689.9175 -109904.8456 297.0627 -161594.7632 -109549.6200 297.9580 -28.3056 -7.3403 762521.9706 4.4711 4.3935 PRESSURE: 2854400 -53.6128 56.3909 96.0804 56.3913 -161.932 61.9278 96.0794 61.9278 -124.552 GPRESSURE: 2854400 -13.7158 13.4503 51.0098 138.149 -186.891 132.724 66.6979 126.155 -44.5359 PRESSAVG: 2854400 -2.08852 -32.0051 6.95093 -32.0051 -23.309 83.8622 6.9509 83.8623 -1.23546 GPRESSAVG: 2854400 -1.8074 -31.9484 6.74138 -32.8842 -22.9082 82.9507 9.33877 82.1106 -1.54057 TIMING: 2854400 CPU: 8915.04, 0.00310521/step Wall: 8915.04, 0.00310521/step, 1.85071 hours remaining, 235.535156 MB of memory in use. ENERGY: 2854400 3965.0588 20488.0221 14409.4905 252.0746 -203320.5448 2590.1358 0.0000 0.0000 51701.3310 -109914.4320 297.1283 -161615.7629 -109548.9447 298.2181 -113.3654 -81.7141 762779.8962 -8.8776 -8.7520 PRESSURE: 2854600 -79.4894 79.091 201.369 79.0908 143.256 -141.25 201.368 -141.251 -208.44 GPRESSURE: 2854600 -33.5851 78.8895 169.33 0.340498 162.097 -95.7996 197.872 -129.962 -174.766 PRESSAVG: 2854600 -31.3553 -19.92 2.43254 -19.9201 2.32675 -22.7409 2.43252 -22.7409 -1.45244 GPRESSAVG: 2854600 -31.6262 -20.4773 1.52179 -19.6593 2.20122 -23.7331 3.23373 -20.8487 -1.18235 TIMING: 2854600 CPU: 8915.66, 0.00308509/step Wall: 8915.66, 0.00308509/step, 1.83854 hours remaining, 235.535156 MB of memory in use. ENERGY: 2854600 4003.7444 20608.1468 14376.1422 230.5044 -203485.1693 2846.6558 0.0000 0.0000 51851.7492 -109568.2265 297.9927 -161419.9757 -109208.6601 298.6552 -48.2244 -15.4180 762272.7293 -10.1603 -10.2025 PRESSURE: 2854800 -53.8683 -116.313 -98.4943 -116.314 -80.2288 2.96865 -98.4941 2.96984 -169.777 GPRESSURE: 2854800 -6.92769 -141.378 -119.521 -161.383 -75.7222 19.4087 -108.912 41.1319 -139.672 PRESSAVG: 2854800 15.8998 -29.4781 80.7245 -29.4781 -11.6745 -1.41103 80.7245 -1.41097 26.7528 GPRESSAVG: 2854800 15.1487 -28.1663 79.8837 -27.4261 -12.4369 -1.65053 80.9582 -1.38525 27.3048 TIMING: 2854800 CPU: 8916.28, 0.00309988/step Wall: 8916.28, 0.00309988/step, 1.84718 hours remaining, 235.535156 MB of memory in use. ENERGY: 2854800 3969.6225 20554.3260 14363.1940 237.4849 -203259.7655 2579.8880 0.0000 0.0000 51818.0770 -109737.1730 297.7992 -161555.2501 -109378.3453 298.7319 -101.2913 -74.1074 763184.3014 10.3260 10.0055 PRESSURE: 2855000 -106.777 124.961 -59.8114 124.961 340.879 -208.252 -59.8108 -208.253 114.18 GPRESSURE: 2855000 -89.5196 104.241 15.3516 50.4896 390.754 -163.362 -52.5349 -225.663 126.687 PRESSAVG: 2855000 15.5725 1.39506 17.5537 1.39504 25.9141 7.12525 17.5537 7.12521 -2.65966 GPRESSAVG: 2855000 16.0011 1.39081 19.8636 -2.29315 25.8206 7.31266 16.9078 6.48235 -3.12141 TIMING: 2855000 CPU: 8916.9, 0.00312576/step Wall: 8916.9, 0.00312576/step, 1.86243 hours remaining, 235.535156 MB of memory in use. ENERGY: 2855000 3940.0838 20423.8109 14422.8843 249.1026 -203521.7629 2810.6572 0.0000 0.0000 51906.8668 -109768.3575 298.3095 -161675.2242 -109402.9133 298.2041 116.0941 142.6404 762730.8688 12.9423 12.9001 PRESSURE: 2855200 36.5231 -141.352 20.8068 -141.352 -33.4368 -19.2702 20.8072 -19.2709 -310.243 GPRESSURE: 2855200 48.1426 -208.027 -9.90156 -98.1239 25.714 -121.657 72.8427 0.717572 -311.26 PRESSAVG: 2855200 -48.9264 -22.9129 -28.3631 -22.9128 24.8256 6.10052 -28.363 6.10059 11.4943 GPRESSAVG: 2855200 -48.5607 -24.3578 -29.8595 -21.7762 24.507 6.22253 -28.1766 7.31663 11.2076 TIMING: 2855200 CPU: 8917.53, 0.00313037/step Wall: 8917.53, 0.00313036/step, 1.865 hours remaining, 235.535156 MB of memory in use. ENERGY: 2855200 4052.8367 20319.9176 14359.6554 228.5005 -203213.8336 2626.7481 0.0000 0.0000 51857.1415 -109769.0337 298.0237 -161626.1752 -109396.8817 298.1900 -102.3856 -79.1343 763269.5922 -4.2022 -4.2821 PRESSURE: 2855400 -281.733 -225.097 83.9607 -225.097 208.35 321.652 83.9613 321.653 -308.516 GPRESSURE: 2855400 -227.273 -222.775 32.4087 -210.626 251.975 296.72 47.2106 233.723 -317.069 PRESSAVG: 2855400 -21.9086 17.1577 8.98978 17.1577 40.9025 7.92735 8.98975 7.9274 -15.2338 GPRESSAVG: 2855400 -22.3034 19.5232 9.56646 16.7282 41.8679 8.00845 9.74269 6.5424 -16.1364 TIMING: 2855400 CPU: 8918.15, 0.00310958/step Wall: 8918.15, 0.00310958/step, 1.85245 hours remaining, 235.535156 MB of memory in use. ENERGY: 2855400 3961.0980 20413.7447 14450.3929 247.9750 -203250.8689 2588.6627 0.0000 0.0000 51941.0140 -109647.9816 298.5057 -161588.9956 -109277.1029 297.9435 -127.2997 -97.4559 762396.2681 1.2534 1.1427 PRESSURE: 2855600 25.2833 -332.529 -195.098 -332.529 224.969 -136.431 -195.098 -136.432 287.439 GPRESSURE: 2855600 71.2507 -255.79 -257.439 -236.32 247.894 -90.0274 -227.935 -50.344 291.973 PRESSAVG: 2855600 39.7538 -14.2006 -39.4197 -14.2006 4.71423 10.2239 -39.4197 10.224 10.5814 GPRESSAVG: 2855600 39.8693 -14.758 -39.8672 -13.3103 5.14186 12.7734 -40.9344 9.05143 10.1743 TIMING: 2855600 CPU: 8918.77, 0.00310698/step Wall: 8918.77, 0.00310698/step, 1.85073 hours remaining, 235.535156 MB of memory in use. ENERGY: 2855600 3987.8630 20589.6171 14445.5156 251.2828 -203390.3172 2634.9691 0.0000 0.0000 51796.3696 -109684.7000 297.6744 -161481.0696 -109329.0524 298.5321 179.2306 203.7060 758956.9136 18.3498 18.3951 PRESSURE: 2855800 34.3909 14.3167 -57.8005 14.3166 113.941 -2.13164 -57.8012 -2.13215 427.487 GPRESSURE: 2855800 96.6049 13.0879 -26.3134 136.2 78.3111 -34.9628 20.2759 -1.04442 461.942 PRESSAVG: 2855800 -33.7988 -0.171977 28.3434 -0.17197 15.3347 -12.3072 28.3433 -12.3072 -5.21309 GPRESSAVG: 2855800 -34.1003 -0.485379 29.8855 1.01596 15.9712 -13.6837 27.8219 -10.018 -5.62738 TIMING: 2855800 CPU: 8919.39, 0.00311431/step Wall: 8919.39, 0.00311431/step, 1.85492 hours remaining, 235.535156 MB of memory in use. ENERGY: 2855800 3942.3662 20364.3691 14345.6066 249.4290 -203423.6357 2837.0314 0.0000 0.0000 51719.8035 -109965.0300 297.2344 -161684.8335 -109601.9736 298.0384 191.9395 212.2859 761068.4816 -7.8924 -7.9188 PRESSURE: 2856000 -291.382 -168.602 -165.035 -168.602 -205.124 230.861 -165.035 230.86 -107.108 GPRESSURE: 2856000 -171.596 -216.614 -198.002 -90.1221 -222.146 298.153 -94.9006 112.397 -119.929 PRESSAVG: 2856000 -48.6805 -20.6082 -4.05027 -20.6082 60.5152 -10.8247 -4.05032 -10.8246 11.1474 GPRESSAVG: 2856000 -48.2796 -21.9421 -4.09641 -21.4064 59.6181 -12.4588 -1.75642 -12.4532 12.6505 TIMING: 2856000 CPU: 8920.02, 0.00310516/step Wall: 8920.02, 0.00310516/step, 1.8493 hours remaining, 235.535156 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: 2856000 3984.9490 20491.6391 14413.1870 238.9004 -203083.0013 2430.0694 0.0000 0.0000 51796.8495 -109727.4069 297.6772 -161524.2564 -109371.1622 297.6511 -201.2048 -171.2235 763336.3340 7.6607 7.9964 PRESSURE: 2856200 -509.784 -212.458 -126.301 -212.457 -399.018 -44.5533 -126.301 -44.553 -118.781 GPRESSURE: 2856200 -436.53 -195.876 -96.3945 -107.126 -342.836 -171.313 -51.2027 -90.2904 -151.156 PRESSAVG: 2856200 54.0001 -41.804 -32.3825 -41.8041 -28.948 -68.576 -32.3824 -68.5759 7.8779 GPRESSAVG: 2856200 55.073 -40.5297 -32.7848 -44.1631 -28.8812 -67.2373 -32.6169 -68.8721 7.20107 TIMING: 2856200 CPU: 8920.64, 0.00310337/step Wall: 8920.64, 0.00310337/step, 1.84806 hours remaining, 235.535156 MB of memory in use. ENERGY: 2856200 3991.9284 20494.6548 14387.5968 236.1707 -203269.8992 2545.0768 0.0000 0.0000 51795.7462 -109818.7255 297.6709 -161614.4717 -109459.8007 298.4916 -342.5277 -310.1741 761814.4724 10.9767 11.1310 LDB: ============= START OF LOAD BALANCING ============== 8933.12 LDB: ============== END OF LOAD BALANCING =============== 8933.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8933.12 LDB: ============= START OF LOAD BALANCING ============== 8933.43 LDB: Largest compute 7070 load 0.032301 is 16.5% of average load 0.195191 LDB: Average compute 0.004402 is 2.3% of average load 0.195191 LDB: TIME 8933.43 LOAD: AVG 0.195191 MAX 0.214652 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 8933.43 LOAD: AVG 0.195191 MAX 0.214652 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: TIME 8933.43 LOAD: AVG 0.195191 MAX 0.214652 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: ============== END OF LOAD BALANCING =============== 8933.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8933.44 PRESSURE: 2856400 -315.902 66.7891 43.3404 66.7897 -142.903 117.612 43.3406 117.611 -363.084 GPRESSURE: 2856400 -294.487 -0.90148 120.666 42.0739 -98.4487 156.302 -57.6904 104.867 -330.808 PRESSAVG: 2856400 0.511118 -34.0281 18.3691 -34.0281 -23.0781 -20.7315 18.3691 -20.7315 -3.76035 GPRESSAVG: 2856400 1.04638 -32.258 17.5682 -32.7713 -23.2245 -21.4299 19.0956 -20.4766 -4.15894 TIMING: 2856400 CPU: 8921.27, 0.00319481/step Wall: 8921.27, 0.00319481/step, 1.90233 hours remaining, 234.253906 MB of memory in use. ENERGY: 2856400 3953.3807 20524.3418 14405.6919 240.9468 -203525.6111 2706.4279 0.0000 0.0000 52115.9203 -109578.9016 299.5109 -161694.8219 -109212.5037 298.1461 -273.9630 -241.2478 762150.3296 -8.7758 -8.7790 PRESSURE: 2856600 -164.876 74.1075 -154.294 74.107 151.586 108.868 -154.295 108.869 -99.6812 GPRESSURE: 2856600 -84.4972 136.376 -211.187 40.4088 107.809 55.466 -206.265 157.752 -51.3407 PRESSAVG: 2856600 32.1133 29.2458 -6.46619 29.2459 -39.2336 -26.4889 -6.46624 -26.4889 -13.5287 GPRESSAVG: 2856600 31.3101 26.285 -5.30393 30.0692 -38.8479 -26.314 -8.59603 -27.2207 -13.1801 TIMING: 2856600 CPU: 8921.9, 0.00312184/step Wall: 8921.9, 0.00312184/step, 1.85871 hours remaining, 234.253906 MB of memory in use. ENERGY: 2856600 3960.9637 20500.6544 14393.4552 252.8910 -203655.5152 2768.0856 0.0000 0.0000 52267.7121 -109511.7533 300.3833 -161779.4654 -109157.8274 298.5667 -37.6569 -9.3429 761151.3877 -6.8830 -6.9060 PRESSURE: 2856800 139.536 -77.7873 27.79 -77.7869 25.9868 15.8685 27.79 15.8692 243.933 GPRESSURE: 2856800 100.776 -8.98141 -19.8611 -103.973 158.546 65.6794 -28.8084 62.0739 232.214 PRESSAVG: 2856800 17.4835 -69.9558 9.9028 -69.9559 2.55194 -24.0478 9.90275 -24.0478 11.8095 GPRESSAVG: 2856800 18.701 -69.2244 8.79976 -70.6144 2.15168 -24.6068 12.2459 -20.1885 11.6142 TIMING: 2856800 CPU: 8922.52, 0.00312692/step Wall: 8922.52, 0.00312692/step, 1.86156 hours remaining, 234.253906 MB of memory in use. ENERGY: 2856800 3997.7632 20534.2557 14401.7409 234.3465 -203600.3452 2799.3177 0.0000 0.0000 52039.5985 -109593.3226 299.0723 -161632.9211 -109238.1171 298.9043 136.4852 163.8454 761823.9742 10.6150 10.8223 PRESSURE: 2857000 115.352 -136.024 -69.3182 -136.023 334.31 -86.7819 -69.3175 -86.7815 -41.285 GPRESSURE: 2857000 155.318 -99.293 -60.389 37.19 330.382 -190.004 -44.9093 -47.5139 -3.73069 PRESSAVG: 2857000 -0.081552 -40.1743 54.7061 -40.1743 -29.7403 -8.78594 54.7061 -8.78586 5.96326 GPRESSAVG: 2857000 -0.70223 -38.5271 55.4451 -39.1741 -29.3363 -9.84924 54.1036 -13.2804 6.1564 TIMING: 2857000 CPU: 8923.15, 0.00311776/step Wall: 8923.15, 0.00311776/step, 1.85593 hours remaining, 234.253906 MB of memory in use. ENERGY: 2857000 4023.6643 20597.5638 14450.6091 235.0700 -203588.0622 3052.1038 0.0000 0.0000 51975.8554 -109253.1958 298.7060 -161229.0511 -108896.7539 299.1396 136.1256 160.6564 762424.6444 -7.9529 -7.9607 PRESSURE: 2857200 265.793 -394.008 -88.2004 -394.008 246.278 107.035 -88.2006 107.036 309.05 GPRESSURE: 2857200 340.035 -375.43 -50.3286 -230.16 277.401 49.4199 -136.666 152.162 297.607 PRESSAVG: 2857200 38.7108 -86.9954 21.2024 -86.9954 -0.424841 26.2838 21.2024 26.2838 -35.8593 GPRESSAVG: 2857200 37.3423 -87.2896 21.0754 -85.5124 0.573986 27.4906 21.9608 28.5829 -35.1823 TIMING: 2857200 CPU: 8923.77, 0.00311107/step Wall: 8923.77, 0.00311107/step, 1.85178 hours remaining, 234.253906 MB of memory in use. ENERGY: 2857200 4055.6288 20449.1204 14513.2509 254.7503 -203728.9587 2949.6232 0.0000 0.0000 52038.2886 -109468.2964 299.0648 -161506.5850 -109105.6852 299.1453 273.7071 305.0145 761162.1411 0.8089 0.9113 PRESSURE: 2857400 -137.736 -163.934 -65.7218 -163.935 194.066 -3.3732 -65.7217 -3.37378 -208.514 GPRESSURE: 2857400 0.894955 -147.719 -50.2044 -352.423 160.326 -80.717 5.90787 193.076 -220.657 PRESSAVG: 2857400 16.896 -27.6552 -37.1571 -27.6551 -14.659 8.92573 -37.1571 8.92576 2.10236 GPRESSAVG: 2857400 18.362 -27.6095 -35.5959 -31.3815 -15.6325 8.3702 -38.8488 9.24484 1.44006 TIMING: 2857400 CPU: 8924.4, 0.00313356/step Wall: 8924.4, 0.00313357/step, 1.86499 hours remaining, 234.253906 MB of memory in use. ENERGY: 2857400 4088.0088 20553.2060 14393.7223 259.9696 -203200.1042 2490.6679 0.0000 0.0000 51924.3617 -109490.1679 298.4100 -161414.5296 -109130.3081 298.7785 -50.7279 -19.8120 760295.3751 1.4464 1.3898 PRESSURE: 2857600 -53.6658 -118.543 60.4074 -118.543 8.86546 -25.2989 60.4072 -25.2982 176.4 GPRESSURE: 2857600 82.58 -34.8731 126.998 -10.2667 60.3929 -84.2108 5.91897 -112.666 66.9389 PRESSAVG: 2857600 22.7505 -39.7799 -3.67494 -39.7798 7.36967 5.26746 -3.67488 5.2675 10.9852 GPRESSAVG: 2857600 21.9562 -42.1144 -4.18213 -35.6765 7.65329 7.75731 -4.23263 4.45438 11.009 TIMING: 2857600 CPU: 8925.02, 0.00313504/step Wall: 8925.02, 0.00313504/step, 1.8657 hours remaining, 234.253906 MB of memory in use. ENERGY: 2857600 3947.4281 20593.6274 14457.4240 244.6641 -203386.7266 2577.6958 0.0000 0.0000 52218.5308 -109347.3563 300.1006 -161565.8871 -108991.3186 298.8123 43.8666 69.9706 761719.5514 13.7018 13.5395 PRESSURE: 2857800 -146.946 -196.232 -202.741 -196.232 196.982 -238.591 -202.741 -238.592 -304.413 GPRESSURE: 2857800 -102.343 -270.474 -205.73 -153.861 193.559 -228.123 -101.361 -114.452 -257.585 PRESSAVG: 2857800 -24.9108 -87.449 7.2356 -87.449 -8.52531 -13.9463 7.23562 -13.9463 19.2101 GPRESSAVG: 2857800 -24.9856 -87.5186 6.35572 -87.4965 -8.10685 -15.0325 9.51348 -15.6106 19.2019 TIMING: 2857800 CPU: 8925.65, 0.00312795/step Wall: 8925.65, 0.00312795/step, 1.8613 hours remaining, 234.253906 MB of memory in use. ENERGY: 2857800 3984.8970 20509.3233 14370.5122 240.4085 -203231.5257 2569.9140 0.0000 0.0000 52354.4951 -109201.9755 300.8820 -161556.4706 -108831.1859 299.1813 -84.7922 -55.4564 763057.0309 -4.7420 -4.6302 PRESSURE: 2858000 4.92134 -14.5295 3.94619 -14.5295 206.83 157.993 3.94619 157.993 -250.745 GPRESSURE: 2858000 34.3661 -13.9091 30.0501 -29.7724 242.363 240.386 -214.883 158.691 -246.579 PRESSAVG: 2858000 -30.1872 -39.2858 37.8443 -39.2859 37.7502 1.77193 37.8443 1.77192 13.3703 GPRESSAVG: 2858000 -28.5446 -36.5051 37.2367 -42.3405 36.4483 2.43065 36.9726 3.19645 13.2857 TIMING: 2858000 CPU: 8926.28, 0.00312864/step Wall: 8926.28, 0.00312864/step, 1.86154 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2858000 3942.0646 20583.6897 14391.8796 236.9413 -203335.9463 2712.6235 0.0000 0.0000 52097.6839 -109371.0637 299.4061 -161468.7476 -109003.3097 299.3147 -12.9980 10.0503 761164.6415 6.9778 7.0632 PRESSURE: 2858200 -13.888 -121.506 -119.74 -121.507 -56.7051 -141.021 -119.74 -141.022 -56.8595 GPRESSURE: 2858200 -0.425263 -86.0978 -130.882 -96.0755 -29.3184 -155.021 -122.052 7.91098 -17.9605 PRESSAVG: 2858200 -29.3705 -58.1223 28.2677 -58.1223 22.3141 19.6671 28.2677 19.6672 -16.2438 GPRESSAVG: 2858200 -31.134 -59.5327 28.4795 -56.6757 23.0691 19.249 28.465 20.5895 -15.029 TIMING: 2858200 CPU: 8926.9, 0.00311451/step Wall: 8926.9, 0.00311451/step, 1.85296 hours remaining, 234.253906 MB of memory in use. ENERGY: 2858200 4024.0772 20692.7581 14477.4784 239.8628 -203983.4858 3234.4647 0.0000 0.0000 51911.8487 -109402.9960 298.3381 -161314.8447 -109050.4090 298.7078 -42.4842 -15.9014 761693.9192 -7.7668 -7.6979 PRESSURE: 2858400 -144.174 -105.871 191.437 -105.871 -329.064 -44.0962 191.436 -44.0969 -435.754 GPRESSURE: 2858400 -113.589 -154.775 146.224 -13.8635 -265.176 -26.1287 146.819 -55.6097 -426.377 PRESSAVG: 2858400 -25.0247 -81.8177 -23.9225 -81.8176 9.81222 3.00696 -23.9225 3.0069 11.1526 GPRESSAVG: 2858400 -24.6728 -81.9793 -22.3819 -82.4175 11.1568 2.49744 -27.1391 -0.11301 9.64946 TIMING: 2858400 CPU: 8927.52, 0.00311003/step Wall: 8927.52, 0.00311003/step, 1.85012 hours remaining, 234.253906 MB of memory in use. ENERGY: 2858400 4005.5981 20498.4095 14364.3367 239.3452 -203334.8622 2764.2967 0.0000 0.0000 52160.8207 -109302.0554 299.7690 -161462.8761 -108940.9681 298.9910 -302.9970 -268.3804 762193.7000 -1.3533 -1.2888 PRESSURE: 2858600 26.7474 -187.055 77.9073 -187.055 -70.7977 69.4201 77.9078 69.4201 -87.0028 GPRESSURE: 2858600 103.407 -181.609 180.07 -18.8738 -78.1209 93.1675 53.6255 35.0313 -93.3293 PRESSAVG: 2858600 -16.9381 -58.1412 -6.35941 -58.1412 14.0931 -22.0767 -6.3594 -22.0768 3.30447 GPRESSAVG: 2858600 -15.3207 -58.7416 -7.55282 -56.6029 11.2781 -22.5729 -3.60514 -20.3017 3.96727 TIMING: 2858600 CPU: 8928.15, 0.00315393/step Wall: 8928.15, 0.00315393/step, 1.87606 hours remaining, 234.253906 MB of memory in use. ENERGY: 2858600 3934.9435 20657.1493 14360.5541 241.9899 -203464.3492 2848.0913 0.0000 0.0000 52348.9065 -109072.7146 300.8499 -161421.6211 -108699.5219 299.7283 -43.6844 -22.6810 761501.8998 0.1532 -0.0251 PRESSURE: 2858800 -102.259 -154.47 -129.849 -154.47 -81.2873 -216.269 -129.849 -216.267 -228.051 GPRESSURE: 2858800 -76.6008 -80.3015 -168.894 -99.5165 -65.6921 -88.3811 -35.999 -231.917 -199.871 PRESSAVG: 2858800 5.66008 -53.0323 -32.5678 -53.0323 9.00129 17.0517 -32.5678 17.0517 6.89708 GPRESSAVG: 2858800 5.56517 -53.3321 -32.0901 -52.3396 10.1792 16.3992 -31.7085 16.7265 6.64165 TIMING: 2858800 CPU: 8928.78, 0.00315104/step Wall: 8928.78, 0.00315104/step, 1.87417 hours remaining, 234.253906 MB of memory in use. ENERGY: 2858800 3942.0558 20656.7744 14365.6293 235.4116 -203145.9091 2748.1290 0.0000 0.0000 52114.8441 -109083.0650 299.5047 -161197.9091 -108724.3349 299.7777 -137.1992 -114.0548 763201.3069 7.1862 7.4620 PRESSURE: 2859000 -61.7371 -107.857 -25.1673 -107.857 27.4783 -188.1 -25.1681 -188.1 348.978 GPRESSURE: 2859000 11.1181 -34.9188 -115.023 -47.403 72.2143 -277.91 26.6166 -153.83 305.85 PRESSAVG: 2859000 61.0544 -1.03565 -17.3816 -1.03568 -16.068 15.1642 -17.3816 15.1641 1.88834 GPRESSAVG: 2859000 60.8955 0.747922 -17.8282 -2.94377 -15.3625 15.7662 -17.1234 13.4701 1.56035 TIMING: 2859000 CPU: 8929.41, 0.00312931/step Wall: 8929.41, 0.00312931/step, 1.86107 hours remaining, 234.253906 MB of memory in use. ENERGY: 2859000 4046.8999 20496.7377 14396.1209 257.5143 -203501.0143 3041.1502 0.0000 0.0000 52037.7193 -109224.8720 299.0615 -161262.5913 -108861.5634 299.4087 104.9063 129.7276 762876.9962 15.6249 15.6978 PRESSURE: 2859200 241.504 -131.783 -23.2485 -131.782 227.42 -232.769 -23.2491 -232.77 -250.263 GPRESSURE: 2859200 229.157 46.5804 -7.53728 -121.919 214.174 -243.641 -27.7502 -214.025 -142.364 PRESSAVG: 2859200 12.0385 -20.729 -57.7893 -20.729 -16.675 -19.2668 -57.7893 -19.2668 -15.9046 GPRESSAVG: 2859200 11.2961 -21.1903 -58.8904 -22.0596 -16.9229 -18.9292 -58.6546 -19.1425 -14.3164 TIMING: 2859200 CPU: 8930.03, 0.00312267/step Wall: 8930.03, 0.00312267/step, 1.85695 hours remaining, 234.253906 MB of memory in use. ENERGY: 2859200 4021.5131 20602.9737 14466.7128 258.9721 -203170.8707 2728.0366 0.0000 0.0000 51874.8434 -109217.8190 298.1254 -161092.6624 -108867.3769 298.8417 72.8871 100.3223 763492.0108 -6.8470 -6.6477 PRESSURE: 2859400 -4.53275 -226.187 -25.5142 -226.187 -384.328 100.463 -25.5138 100.463 -166.794 GPRESSURE: 2859400 -57.6587 -196.376 -50.294 -93.1549 -288.278 76.5759 -13.3067 86.0078 -128.911 PRESSAVG: 2859400 13.9843 -21.2232 -39.9195 -21.2232 -32.7053 4.53432 -39.9195 4.53422 5.10538 GPRESSAVG: 2859400 13.8734 -20.8774 -40.7131 -19.1435 -31.7228 4.82471 -38.372 6.16679 4.03289 TIMING: 2859400 CPU: 8930.66, 0.00311923/step Wall: 8930.66, 0.00311923/step, 1.85473 hours remaining, 234.253906 MB of memory in use. ENERGY: 2859400 4048.4815 20463.4528 14380.3443 277.4298 -203232.1399 2718.9425 0.0000 0.0000 52220.9900 -109122.4989 300.1147 -161343.4890 -108764.2338 299.0216 -185.2183 -158.2826 762535.0913 -4.5385 -4.6055 PRESSURE: 2859600 -456.866 29.4063 24.1224 29.4058 -252.183 290.008 24.1218 290.01 -122.724 GPRESSURE: 2859600 -437.426 -43.2248 26.4363 12.8678 -211.494 251.445 33.2632 266.032 -76.4946 PRESSAVG: 2859600 -34.8737 -29.7203 1.94714 -29.7202 -24.1659 -27.9505 1.94719 -27.9505 0.526783 GPRESSAVG: 2859600 -33.7313 -28.8374 4.76617 -30.7539 -24.8576 -27.5017 -2.4243 -28.9617 0.760949 TIMING: 2859600 CPU: 8931.28, 0.00310978/step Wall: 8931.28, 0.00310978/step, 1.84894 hours remaining, 234.253906 MB of memory in use. ENERGY: 2859600 3960.1350 20533.6873 14474.2447 271.1293 -202785.6376 2215.5748 0.0000 0.0000 52070.2954 -109260.5711 299.2487 -161330.8664 -108884.9020 299.4899 -277.2576 -241.8046 763242.9865 -19.5043 -19.2760 PRESSURE: 2859800 11.8851 122.263 266.507 122.263 156.51 -145.438 266.507 -145.437 -14.1871 GPRESSURE: 2859800 67.7408 232.617 249.386 24.2488 166.254 -54.4922 245.554 -219.187 -22.9194 PRESSAVG: 2859800 -21.4445 17.8452 -19.5907 17.8453 -6.51067 -11.1662 -19.5907 -11.1662 2.64061 GPRESSAVG: 2859800 -22.1217 16.7829 -19.0869 18.075 -5.13981 -12.4802 -17.9182 -10.4532 1.87197 TIMING: 2859800 CPU: 8931.9, 0.00310102/step Wall: 8931.9, 0.00310102/step, 1.84356 hours remaining, 234.253906 MB of memory in use. ENERGY: 2859800 3978.8046 20796.7021 14443.7923 260.3604 -203425.2113 2751.7186 0.0000 0.0000 52118.6701 -109075.1631 299.5267 -161193.8332 -108718.3678 299.6530 51.4025 70.3584 762065.2844 -8.4382 -8.4632 PRESSURE: 2860000 -540.321 188.912 23.5591 188.911 -146.164 164.538 23.5591 164.536 -117.368 GPRESSURE: 2860000 -464.791 168.053 21.3394 251.614 -120.576 145.094 180.077 49.3321 -135.398 PRESSAVG: 2860000 -48.2922 -35.8923 -2.39103 -35.8923 28.1414 -25.4258 -2.39106 -25.4258 -5.76645 GPRESSAVG: 2860000 -47.2797 -32.8505 -5.13537 -37.5437 26.8331 -24.2506 -1.08182 -25.0585 -5.00412 TIMING: 2860000 CPU: 8932.52, 0.00312755/step Wall: 8932.52, 0.00312755/step, 1.85916 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2860000 4009.0248 20417.8117 14430.5604 246.2797 -203115.1699 2788.1154 0.0000 0.0000 52331.1282 -108892.2497 300.7477 -161223.3780 -108526.0356 299.7477 -267.9511 -240.2549 764315.5655 -8.6391 -8.4836 PRESSURE: 2860200 262.559 13.8307 91.227 13.8305 214.022 86.6227 91.228 86.6216 105.811 GPRESSURE: 2860200 182.643 55.1141 29.7271 -98.661 263.025 105.993 169.776 25.3328 201.581 PRESSAVG: 2860200 -14.4942 -46.9411 -9.41509 -46.9412 13.9386 -3.74503 -9.41507 -3.74504 -10.3089 GPRESSAVG: 2860200 -15.4792 -49.4584 -7.95637 -46.0854 14.3392 -4.28725 -10.3348 -2.88843 -10.3658 TIMING: 2860200 CPU: 8933.15, 0.00311817/step Wall: 8933.15, 0.00311817/step, 1.85341 hours remaining, 234.253906 MB of memory in use. ENERGY: 2860200 3877.2630 20536.8845 14552.1014 255.5247 -202808.0106 2496.0466 0.0000 0.0000 51966.6974 -109123.4930 298.6533 -161090.1903 -108757.0964 299.4882 194.1303 215.7495 763461.6437 -3.6215 -3.8353 LDB: ============= START OF LOAD BALANCING ============== 8945.63 LDB: ============== END OF LOAD BALANCING =============== 8945.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8945.63 LDB: ============= START OF LOAD BALANCING ============== 8945.94 LDB: Largest compute 7030 load 0.030973 is 15.9% of average load 0.195066 LDB: Average compute 0.004382 is 2.2% of average load 0.195066 LDB: TIME 8945.94 LOAD: AVG 0.195066 MAX 0.217967 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.742 MB LDB: TIME 8945.94 LOAD: AVG 0.195066 MAX 0.217967 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.742 MB LDB: TIME 8945.94 LOAD: AVG 0.195066 MAX 0.217601 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.742 MB LDB: ============== END OF LOAD BALANCING =============== 8945.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8945.95 PRESSURE: 2860400 227.146 -10.1351 -42.363 -10.1359 199.974 -59.3351 -42.3647 -59.3352 166.266 GPRESSURE: 2860400 211.449 -82.7403 -131.045 -28.3357 302.14 -164.736 2.41648 -34.0926 146.136 PRESSAVG: 2860400 -4.88293 -61.4693 -11.8291 -61.4693 -14.3472 -15.8395 -11.8291 -15.8395 18.3461 GPRESSAVG: 2860400 -5.05547 -61.2271 -11.5344 -61.4629 -14.4933 -18.9274 -12.7685 -14.7912 17.758 TIMING: 2860400 CPU: 8933.79, 0.00319758/step Wall: 8933.79, 0.00319758/step, 1.90043 hours remaining, 233.742188 MB of memory in use. ENERGY: 2860400 3933.5789 20703.3368 14512.5206 246.4373 -203313.6657 2695.9160 0.0000 0.0000 52193.2790 -109028.5970 299.9555 -161221.8760 -108663.1632 299.6235 197.7955 219.9083 761330.7971 -0.2947 -0.5969 PRESSURE: 2860600 -212.032 124.268 -224.413 124.267 1.99689 -202.616 -224.414 -202.616 -475.104 GPRESSURE: 2860600 -142.775 111.716 -130.349 216.502 17.9527 -229.654 -233.33 -151.482 -458.212 PRESSAVG: 2860600 40.4624 28.4008 -50.6795 28.4008 -45.4888 39.4098 -50.6794 39.4097 -41.5856 GPRESSAVG: 2860600 42.0222 26.933 -50.7953 28.8021 -46.0367 42.0948 -51.2957 36.6289 -41.8281 TIMING: 2860600 CPU: 8934.41, 0.00313507/step Wall: 8934.41, 0.00313507/step, 1.8631 hours remaining, 233.742188 MB of memory in use. ENERGY: 2860600 4000.4300 20572.8063 14431.6801 259.3936 -203154.5210 2501.3418 0.0000 0.0000 52149.2248 -109239.6444 299.7023 -161388.8692 -108876.9794 299.4173 -228.3796 -194.3448 762889.2604 -15.5373 -15.2808 PRESSURE: 2860800 288.683 -215.923 -196.031 -215.923 126.664 -39.8195 -196.032 -39.8199 341.621 GPRESSURE: 2860800 414.489 -260.825 -93.5432 -187.05 127.158 -54.2532 -239.792 25.2234 303.518 PRESSAVG: 2860800 66.0571 3.92746 8.05491 3.92745 -31.3899 -10.191 8.055 -10.191 16.0927 GPRESSAVG: 2860800 64.8621 3.67358 8.39446 4.70379 -31.3426 -11.4673 9.23178 -8.78379 16.6636 TIMING: 2860800 CPU: 8935.04, 0.00312148/step Wall: 8935.04, 0.00312148/step, 1.85485 hours remaining, 233.742188 MB of memory in use. ENERGY: 2860800 3940.7127 20511.5766 14358.2319 262.9698 -203642.9857 3107.9791 0.0000 0.0000 52102.3327 -109359.1829 299.4328 -161461.5156 -108999.1476 298.8793 252.3230 281.7220 762287.6388 16.9200 16.7277 PRESSURE: 2861000 80.867 -156.864 -38.406 -156.864 -170.715 -38.4327 -38.4057 -38.432 186.559 GPRESSURE: 2861000 151.549 -139.682 -59.8415 -156.257 -85.8331 65.9417 9.64216 -12.5229 115.305 PRESSAVG: 2861000 -14.9498 -44.868 -19.3371 -44.868 33.0234 -17.9958 -19.3371 -17.9958 -4.62717 GPRESSAVG: 2861000 -15.5776 -43.1485 -19.9865 -43.8401 33.4636 -15.8498 -19.4025 -18.82 -4.32652 TIMING: 2861000 CPU: 8935.66, 0.00311588/step Wall: 8935.66, 0.00311588/step, 1.85135 hours remaining, 233.742188 MB of memory in use. ENERGY: 2861000 3988.0196 20562.1873 14474.7406 239.8940 -203640.4904 3003.0040 0.0000 0.0000 52107.0049 -109265.6400 299.4597 -161372.6449 -108901.9061 299.2756 32.2368 60.3401 763738.8371 4.4822 4.5198 PRESSURE: 2861200 -183.852 -85.4964 -264.173 -85.497 -204.604 -150.959 -264.174 -150.959 -67.1901 GPRESSURE: 2861200 -119.133 14.7065 -229.686 -122.594 -265.036 -79.9086 -129.103 -55.9705 -6.24936 PRESSAVG: 2861200 1.22009 -29.1151 -5.92532 -29.1151 26.3596 2.4055 -5.92524 2.40554 -5.72747 GPRESSAVG: 2861200 2.82631 -28.1459 -5.34564 -30.4773 24.7164 2.81745 -5.13191 1.9553 -6.02568 TIMING: 2861200 CPU: 8936.29, 0.0031275/step Wall: 8936.29, 0.0031275/step, 1.85808 hours remaining, 233.742188 MB of memory in use. ENERGY: 2861200 4000.0938 20578.7467 14459.1792 249.4733 -203119.8856 2694.8970 0.0000 0.0000 51823.4131 -109314.0825 297.8299 -161137.4955 -108949.2581 299.1496 -151.8823 -130.1395 765472.2428 7.2841 7.1724 PRESSURE: 2861400 -18.4154 -53.813 -93.6439 -53.812 641.788 182.254 -93.6435 182.254 139.071 GPRESSURE: 2861400 6.61287 -75.3718 -32.2983 -15.6326 658.946 211.228 -46.669 110.634 175.463 PRESSAVG: 2861400 43.8475 -45.2615 -0.362952 -45.2615 -2.58499 -12.2363 -0.362986 -12.2363 -10.4028 GPRESSAVG: 2861400 42.8339 -45.815 -2.33123 -45.9576 -2.712 -12.8593 1.45748 -12.1741 -9.95095 TIMING: 2861400 CPU: 8936.91, 0.00312478/step Wall: 8936.91, 0.00312478/step, 1.85629 hours remaining, 233.742188 MB of memory in use. ENERGY: 2861400 3967.9292 20627.1488 14468.9249 256.1674 -203563.1175 2917.1718 0.0000 0.0000 51726.5502 -109599.2253 297.2732 -161325.7754 -109239.0848 298.5364 254.1478 280.3404 762951.1911 10.2866 10.0570 PRESSURE: 2861600 175.407 44.6832 -2.87766 44.6826 57.5389 -138.921 -2.87725 -138.921 676.849 GPRESSURE: 2861600 138.232 38.3416 10.7456 26.9642 181.304 -216.207 -6.52742 -109.732 679.815 PRESSAVG: 2861600 10.2302 -20.9838 61.3984 -20.9839 -18.8896 -7.08363 61.3984 -7.08356 27.0528 GPRESSAVG: 2861600 9.9694 -22.9226 62.6089 -20.438 -16.9438 -8.81839 60.9881 -5.23512 25.2774 TIMING: 2861600 CPU: 8937.54, 0.00313205/step Wall: 8937.54, 0.00313205/step, 1.86044 hours remaining, 233.742188 MB of memory in use. ENERGY: 2861600 4014.2572 20521.1630 14372.1537 245.0175 -203505.5028 2842.1903 0.0000 0.0000 52126.4078 -109384.3133 299.5712 -161510.7211 -109023.7648 298.4912 303.2651 333.1170 762571.7762 6.1312 6.1010 PRESSURE: 2861800 81.7115 113.809 -149.543 113.808 -285.227 29.3396 -149.543 29.3414 -123.548 GPRESSURE: 2861800 116.106 166.067 -154.847 146 -322.4 56.6048 -172.209 -54.4298 -48.439 PRESSAVG: 2861800 -58.2268 -36.9032 45.0315 -36.9032 51.4964 41.3434 45.0315 41.3434 10.1192 GPRESSAVG: 2861800 -58.0868 -36.985 46.0901 -35.2499 50.9109 42.876 44.6313 41.4538 10.8938 TIMING: 2861800 CPU: 8938.16, 0.00309829/step Wall: 8938.16, 0.00309829/step, 1.84021 hours remaining, 233.742188 MB of memory in use. ENERGY: 2861800 4007.2044 20561.3111 14434.2954 243.9926 -203113.8275 2603.6392 0.0000 0.0000 51794.4179 -109468.9669 297.6632 -161263.3848 -109110.0189 298.4937 -109.0213 -84.9110 763851.8866 1.1296 1.2393 PRESSURE: 2862000 -102.506 38.6149 17.1475 38.6153 -127.442 94.2108 17.1473 94.2108 -165.108 GPRESSURE: 2862000 -44.5872 -172.2 31.9822 20.3098 -64.2122 96.9411 -27.0734 62.15 -181.961 PRESSAVG: 2862000 24.7351 2.72424 -6.71718 2.72424 -7.73199 13.627 -6.71719 13.6271 -30.9249 GPRESSAVG: 2862000 25.6397 3.51411 -6.61935 -0.0760139 -9.81151 13.2108 -6.91158 11.5486 -29.1028 TIMING: 2862000 CPU: 8938.78, 0.00310807/step Wall: 8938.78, 0.00310807/step, 1.84585 hours remaining, 233.742188 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: 2862000 3949.4764 20639.0993 14472.9416 245.8617 -203211.8038 2729.0670 0.0000 0.0000 51828.9062 -109346.4517 297.8614 -161175.3579 -108977.8364 298.3483 -131.6855 -96.9200 764006.4367 -4.6406 -4.4249 PRESSURE: 2862200 -266.521 -86.7225 -328.66 -86.7231 209.153 -316.994 -328.66 -316.993 103.508 GPRESSURE: 2862200 -186.743 -10.2633 -295.69 -130.105 175.62 -348.535 -328.521 -293.143 112.339 PRESSAVG: 2862200 -32.6871 -1.65942 11.0574 -1.65947 8.45375 -16.5184 11.0574 -16.5184 -11.5291 GPRESSAVG: 2862200 -33.3457 -4.14601 10.9624 -1.17548 9.97659 -17.7694 9.01299 -15.5305 -12.5649 TIMING: 2862200 CPU: 8939.4, 0.00311678/step Wall: 8939.4, 0.00311678/step, 1.85085 hours remaining, 233.742188 MB of memory in use. ENERGY: 2862200 3977.3383 20620.5291 14448.6634 243.7620 -202889.0924 2434.7768 0.0000 0.0000 52075.4335 -109088.5893 299.2782 -161164.0228 -108735.2752 299.1816 15.3804 33.7386 762236.6773 -11.9208 -11.9780 PRESSURE: 2862400 12.0904 -30.002 7.726 -30.0002 -49.8156 -100.94 7.72533 -100.94 198.97 GPRESSURE: 2862400 5.29372 -70.392 12.3616 -27.4092 45.396 -16.0427 -7.17794 -100.656 195.672 PRESSAVG: 2862400 -46.8224 -20.6259 -37.5282 -20.6259 54.5265 -15.1088 -37.5282 -15.1087 4.22151 GPRESSAVG: 2862400 -47.2028 -18.0761 -38.6464 -21.618 55.2411 -14.4731 -34.8562 -17.0185 4.36776 TIMING: 2862400 CPU: 8940.03, 0.00312268/step Wall: 8940.03, 0.00312268/step, 1.85418 hours remaining, 233.742188 MB of memory in use. ENERGY: 2862400 4021.4546 20507.7670 14436.1299 244.7438 -202806.2532 2478.9348 0.0000 0.0000 51960.9270 -109156.2960 298.6202 -161117.2231 -108799.6085 299.2289 53.7483 82.1205 762744.5351 3.9752 4.1354 PRESSURE: 2862600 -395.424 21.8624 136.847 21.8621 -285.523 -40.5233 136.848 -40.5238 -298.464 GPRESSURE: 2862600 -365.021 -82.5495 133.349 -2.04264 -277.151 -95.8857 18.4301 -32.2943 -242.358 PRESSAVG: 2862600 -1.63527 11.2285 -75.6513 11.2286 -35.5171 -25.96 -75.6514 -25.96 21.5405 GPRESSAVG: 2862600 -1.61056 9.60863 -74.3394 12.0256 -36.4598 -24.8199 -75.7951 -24.3846 21.9496 TIMING: 2862600 CPU: 8940.65, 0.00310391/step Wall: 8940.65, 0.00310391/step, 1.84286 hours remaining, 233.742188 MB of memory in use. ENERGY: 2862600 4083.1800 20335.2970 14535.7760 249.1817 -202864.4573 2404.9176 0.0000 0.0000 51977.5678 -109278.5373 298.7158 -161256.1050 -108914.9249 298.8558 -326.4702 -294.8433 763300.4609 -5.2040 -5.3736 PRESSURE: 2862800 -234.839 36.2823 -42.6675 36.2828 134.816 222.267 -42.6677 222.267 43.4688 GPRESSURE: 2862800 -233.824 53.8793 -95.3763 -9.33592 143.463 109.989 -144.702 171.715 133.311 PRESSAVG: 2862800 -3.37961 -12.9219 -28.2485 -12.9219 -24.7113 8.20537 -28.2485 8.2053 7.34846 GPRESSAVG: 2862800 -3.77585 -9.96014 -30.1727 -16.1398 -24.7154 7.19303 -26.9379 7.35743 7.63164 TIMING: 2862800 CPU: 8941.27, 0.00309866/step Wall: 8941.27, 0.00309866/step, 1.83957 hours remaining, 233.742188 MB of memory in use. ENERGY: 2862800 3997.1179 20408.2599 14429.4775 255.5276 -203475.2137 3007.6828 0.0000 0.0000 51989.1808 -109387.9670 298.7825 -161377.1479 -109029.2088 299.2371 -18.8513 14.3169 763944.0902 -6.9142 -6.9532 PRESSURE: 2863000 222.682 42.5691 -2.60592 42.5694 -214.828 -105.171 -2.60607 -105.171 -64.1962 GPRESSURE: 2863000 258.681 63.1325 -14.8861 53.2699 -146.071 -55.7513 -40.3927 -73.7587 -69.6598 PRESSAVG: 2863000 26.417 -6.45768 -30.5474 -6.4577 6.05732 -32.5869 -30.5474 -32.5869 -2.37904 GPRESSAVG: 2863000 27.6113 -8.44947 -29.789 -3.13375 5.56049 -31.5608 -33.3419 -32.6246 -2.94456 TIMING: 2863000 CPU: 8941.89, 0.00309944/step Wall: 8941.89, 0.00309944/step, 1.83986 hours remaining, 233.742188 MB of memory in use. ENERGY: 2863000 3987.6238 20377.2187 14454.5940 242.8422 -203256.4332 2582.2767 0.0000 0.0000 52201.1755 -109410.7023 300.0009 -161611.8778 -109045.1750 298.8600 -18.7804 14.3168 763068.8605 10.0318 10.0758 PRESSURE: 2863200 337.078 31.5785 -76.5267 31.5779 38.4952 104.207 -76.5268 104.208 -463.511 GPRESSURE: 2863200 289.557 99.3672 -58.2062 -82.0096 109.612 54.3222 -39.6822 141.014 -383.574 PRESSAVG: 2863200 3.4611 -19.4614 25.6611 -19.4614 -41.4895 45.3279 25.661 45.3279 14.6052 GPRESSAVG: 2863200 3.46031 -18.902 25.5142 -19.9391 -40.9798 43.1205 24.3028 46.498 14.3042 TIMING: 2863200 CPU: 8942.51, 0.00309983/step Wall: 8942.51, 0.00309983/step, 1.83992 hours remaining, 233.742188 MB of memory in use. ENERGY: 2863200 4048.3812 20481.9864 14400.6052 249.1472 -203632.2565 3048.4950 0.0000 0.0000 52096.5876 -109307.0539 299.3998 -161403.6415 -108943.8516 298.8559 -29.3127 5.1983 762614.5204 -7.8077 -7.7384 PRESSURE: 2863400 125.497 39.5363 -212.318 39.5356 15.6889 214.605 -212.318 214.606 36.2769 GPRESSURE: 2863400 188.866 -87.0251 -177.225 98.8611 38.8967 370.818 -171.005 226.745 33.8083 PRESSAVG: 2863400 -23.4383 -16.3851 -49.8134 -16.3851 20.7766 35.9541 -49.8134 35.9541 -12.2098 GPRESSAVG: 2863400 -25.2525 -15.6798 -48.9675 -15.688 21.1719 37.3399 -48.2607 33.8161 -11.1665 TIMING: 2863400 CPU: 8943.12, 0.00308423/step Wall: 8943.12, 0.00308423/step, 1.83049 hours remaining, 233.742188 MB of memory in use. ENERGY: 2863400 3990.2668 20510.6333 14415.2966 254.4214 -203731.1141 3002.6586 0.0000 0.0000 52222.9020 -109334.9355 300.1257 -161557.8374 -108980.0228 299.0763 59.1544 87.1902 761158.9416 -4.9572 -5.0824 PRESSURE: 2863600 -210.838 -36.4832 -10.7932 -36.4839 -20.9882 292.971 -10.793 292.971 213.345 GPRESSURE: 2863600 -171.525 8.44791 -79.4466 8.76789 37.7522 308.732 -34.1502 239.33 203.615 PRESSAVG: 2863600 12.1743 -18.7083 -9.70377 -18.7083 -17.6686 -39.8491 -9.70382 -39.8491 9.98777 GPRESSAVG: 2863600 12.9288 -19.9821 -8.93823 -19.7327 -17.3217 -39.8277 -9.66246 -40.2652 9.04002 TIMING: 2863600 CPU: 8943.75, 0.00310882/step Wall: 8943.75, 0.00310882/step, 1.84491 hours remaining, 233.742188 MB of memory in use. ENERGY: 2863600 3985.0510 20502.5393 14454.2467 243.1172 -202974.7736 2423.8425 0.0000 0.0000 52072.0940 -109293.8829 299.2590 -161365.9769 -108931.0107 298.8012 -6.1605 23.2806 762480.9578 1.4978 1.5490 PRESSURE: 2863800 16.7354 -289.306 -122.811 -289.306 90.9746 -240.028 -122.811 -240.028 479.916 GPRESSURE: 2863800 -13.5628 -213.072 -26.4302 -211.128 171.626 -119.706 -96.0868 -189.95 511.807 PRESSAVG: 2863800 6.78962 -66.0509 14.2719 -66.0508 -8.22944 -35.4655 14.2718 -35.4655 -34.8941 GPRESSAVG: 2863800 6.28991 -64.8452 12.5477 -64.6022 -8.64605 -34.7461 16.5351 -33.9649 -33.9244 TIMING: 2863800 CPU: 8944.37, 0.00311449/step Wall: 8944.37, 0.00311449/step, 1.84811 hours remaining, 233.742188 MB of memory in use. ENERGY: 2863800 3955.5248 20478.1093 14466.0789 249.5903 -202738.5381 2660.8881 0.0000 0.0000 51808.5714 -109119.7754 297.7446 -160928.3468 -108760.1567 299.1954 195.8753 223.2900 763657.5849 -12.1113 -12.0935 PRESSURE: 2864000 -96.5163 219.038 301.299 219.038 -286.104 -6.26043 301.299 -6.26076 -140.698 GPRESSURE: 2864000 -15.868 111.448 359.069 195.634 -290.486 38.507 220.339 4.76188 -132.205 PRESSAVG: 2864000 20.4205 -36.0354 11.137 -36.0354 1.72397 -12.8925 11.137 -12.8925 -6.52988 GPRESSAVG: 2864000 21.0263 -37.2138 12.1594 -36.0475 0.619855 -13.1583 9.76498 -11.8402 -6.06742 TIMING: 2864000 CPU: 8944.99, 0.0031166/step Wall: 8944.99, 0.0031166/step, 1.84918 hours remaining, 233.742188 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: 2864000 3956.0157 20627.6905 14442.8402 249.5720 -202883.0781 2630.8061 0.0000 0.0000 51868.1289 -109108.0247 298.0868 -160976.1536 -108750.9099 299.3726 -174.4393 -146.1863 765716.0863 5.2048 5.1929 PRESSURE: 2864200 -19.4132 -92.01 183.309 -92.011 -53.9399 256.667 183.309 256.666 -401.702 GPRESSURE: 2864200 -41.6283 67.0376 123.348 79.445 -16.9867 223.932 139.999 261.675 -331.448 PRESSAVG: 2864200 -20.3023 -14.3378 -15.889 -14.3378 -3.53854 10.1586 -15.8891 10.1586 -11.0075 GPRESSAVG: 2864200 -20.3406 -13.7402 -16.1179 -12.1708 -4.0969 9.5185 -17.6227 8.16217 -11.3904 TIMING: 2864200 CPU: 8945.61, 0.00311151/step Wall: 8945.61, 0.00311151/step, 1.84599 hours remaining, 233.742188 MB of memory in use. ENERGY: 2864200 4026.1986 20614.8375 14424.1809 237.6506 -202750.5699 2705.4337 0.0000 0.0000 51768.6759 -108973.5928 297.5153 -160742.2687 -108617.9989 299.2491 -158.3518 -130.0211 765078.1469 -11.6161 -11.9426 LDB: ============= START OF LOAD BALANCING ============== 8958.09 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8958.09 LDB: =============== DONE WITH MIGRATION ================ 8958.09 LDB: ============= START OF LOAD BALANCING ============== 8958.4 LDB: Largest compute 7030 load 0.030534 is 15.6% of average load 0.195114 LDB: Average compute 0.004389 is 2.2% of average load 0.195114 LDB: TIME 8958.41 LOAD: AVG 0.195114 MAX 0.214925 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.023 MB LDB: TIME 8958.41 LOAD: AVG 0.195114 MAX 0.214925 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.121 MB LDB: TIME 8958.41 LOAD: AVG 0.195114 MAX 0.214925 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.121 MB LDB: ============== END OF LOAD BALANCING =============== 8958.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8958.42 PRESSURE: 2864400 222.888 -106.202 -85.5241 -106.202 -117.571 -46.339 -85.5236 -46.3387 -176.948 GPRESSURE: 2864400 265.775 -36.389 -48.9933 -64.1814 -98.8321 -120.434 -80.189 -119.513 -154.401 PRESSAVG: 2864400 8.17752 -4.06513 4.46374 -4.0651 43.7648 -40.1695 4.46383 -40.1696 13.1552 GPRESSAVG: 2864400 7.4852 -2.54363 3.98494 -4.81652 45.5846 -40.7603 6.35396 -39.159 12.1079 TIMING: 2864400 CPU: 8946.25, 0.00317921/step Wall: 8946.25, 0.00317921/step, 1.88598 hours remaining, 234.687500 MB of memory in use. ENERGY: 2864400 3967.6708 20455.7578 14446.3151 249.2902 -202661.4513 2668.0074 0.0000 0.0000 52099.6969 -108774.7131 299.4177 -160874.4100 -108408.4772 299.9118 -23.8771 4.1805 763330.0761 21.6992 21.7259 PRESSURE: 2864600 -707.733 122.042 6.65999 122.042 -17.747 62.6362 6.65996 62.6358 -65.0893 GPRESSURE: 2864600 -596.998 21.0848 33.0178 112.834 -40.1186 86.8548 -7.58469 96.8265 -76.4241 PRESSAVG: 2864600 -27.0906 -7.44163 33.3022 -7.44165 28.6424 -10.2642 33.3022 -10.2642 -9.35362 GPRESSAVG: 2864600 -27.9352 -9.37018 33.1091 -9.71133 28.0585 -8.45371 34.8901 -12.9204 -9.0576 TIMING: 2864600 CPU: 8946.87, 0.00310834/step Wall: 8946.87, 0.00310834/step, 1.84376 hours remaining, 234.687500 MB of memory in use. ENERGY: 2864600 4111.0920 20615.5184 14420.0379 231.3643 -202514.6462 2238.8525 0.0000 0.0000 52196.7670 -108701.0142 299.9755 -160897.7812 -108341.9960 300.0345 -263.5231 -237.8469 765024.0963 -2.6006 -2.9781 PRESSURE: 2864800 -409.685 -7.13415 158.194 -7.1343 23.092 -91.2171 158.195 -91.2157 312.096 GPRESSURE: 2864800 -325.042 -12.2729 112.653 5.05767 35.9629 -98.5938 197.225 -103.563 299.972 PRESSAVG: 2864800 -0.3926 12.9485 50.4348 12.9486 22.6878 23.4737 50.4348 23.4738 19.2139 GPRESSAVG: 2864800 0.738252 12.9163 52.8262 14.3289 21.3566 22.0188 49.1454 24.6152 19.5884 TIMING: 2864800 CPU: 8947.5, 0.00311826/step Wall: 8947.5, 0.00311826/step, 1.84947 hours remaining, 234.687500 MB of memory in use. ENERGY: 2864800 4038.9630 20571.4524 14453.9305 245.9587 -202963.4519 2638.9170 0.0000 0.0000 52294.6038 -108719.6266 300.5378 -161014.2304 -108364.8631 300.1904 -24.8324 3.6310 763309.3063 13.8364 13.8944 PRESSURE: 2865000 321.209 -143.149 253.883 -143.149 -283.789 14.328 253.883 14.3273 -86.1752 GPRESSURE: 2865000 321.289 -171.093 209.345 -67.5513 -126.265 89.5514 158.539 56.963 -166.322 PRESSAVG: 2865000 -28.4927 -46.3923 22.474 -46.3924 13.8713 52.365 22.4739 52.365 7.06933 GPRESSAVG: 2865000 -29.6882 -45.9877 21.5517 -47.7646 14.7026 52.9336 20.0237 52.6396 7.15295 TIMING: 2865000 CPU: 8948.12, 0.00311611/step Wall: 8948.12, 0.00311611/step, 1.84802 hours remaining, 234.687500 MB of memory in use. ENERGY: 2865000 3940.2465 20455.7825 14468.5295 262.1524 -203080.5284 2777.9700 0.0000 0.0000 52244.8894 -108930.9581 300.2521 -161175.8475 -108560.8199 300.1890 -16.2516 9.5673 761622.6934 -2.5174 -2.6109 PRESSURE: 2865200 -371.39 -136.803 287.812 -136.803 -226.107 87.5268 287.813 87.5259 187.864 GPRESSURE: 2865200 -288.551 -190.281 346.996 -172.107 -124.183 90.8527 237.507 -19.024 91.7468 PRESSAVG: 2865200 -42.5515 -45.4281 41.8113 -45.4281 55.7724 36.1685 41.8113 36.1686 -17.3069 GPRESSAVG: 2865200 -40.2166 -44.692 40.2681 -45.0231 54.9882 35.2083 44.0475 36.356 -18.3378 TIMING: 2865200 CPU: 8948.74, 0.00310409/step Wall: 8948.74, 0.00310409/step, 1.84073 hours remaining, 234.687500 MB of memory in use. ENERGY: 2865200 3980.3348 20514.3818 14424.5303 240.0952 -202452.7310 2264.8434 0.0000 0.0000 52329.8295 -108698.7160 300.7402 -161028.5455 -108332.1757 300.1679 -136.5440 -106.9958 761213.7102 -1.3620 -1.1888 PRESSURE: 2865400 19.0046 89.8254 3.06368 89.8255 360.126 -68.815 3.06366 -68.8157 171.501 GPRESSURE: 2865400 72.2792 24.4807 -44.3209 88.285 352.756 -90.5196 202.476 -84.3516 205.884 PRESSAVG: 2865400 -83.6344 20.8065 31.8002 20.8064 68.3666 6.94805 31.8002 6.94807 21.0655 GPRESSAVG: 2865400 -84.5515 20.6813 32.037 21.5276 69.2851 8.05453 31.1007 5.92499 21.2977 TIMING: 2865400 CPU: 8949.36, 0.00311206/step Wall: 8949.36, 0.00311206/step, 1.84528 hours remaining, 234.687500 MB of memory in use. ENERGY: 2865400 3938.5008 20552.3504 14421.5375 257.2874 -202786.3510 2500.9622 0.0000 0.0000 52155.4697 -108960.2430 299.7382 -161115.7127 -108598.1107 299.8203 183.5437 210.3064 761333.8922 1.9326 2.0104 PRESSURE: 2865600 204.861 83.4688 -177.384 83.4689 -135.316 -185.803 -177.384 -185.802 333.685 GPRESSURE: 2865600 172.472 -14.5415 -143.236 -20.3621 -11.5679 -233.856 -149.65 -253.596 329.022 PRESSAVG: 2865600 -47.5631 23.4723 -35.6095 23.4723 46.6288 -51.1687 -35.6094 -51.1687 -4.9365 GPRESSAVG: 2865600 -48.135 22.4694 -35.8876 21.6433 46.9368 -52.6777 -35.8139 -49.1288 -4.55877 TIMING: 2865600 CPU: 8949.99, 0.00312745/step Wall: 8949.99, 0.00312745/step, 1.85423 hours remaining, 234.687500 MB of memory in use. ENERGY: 2865600 3933.2026 20529.0120 14440.9112 240.6155 -202868.9621 2605.2725 0.0000 0.0000 52047.9992 -109071.9492 299.1206 -161119.9483 -108715.3100 299.7288 134.4102 163.3087 761702.4078 -1.9569 -1.9190 PRESSURE: 2865800 185.631 66.8522 -32.5344 66.8513 -2.14401 188.888 -32.5346 188.888 -137.236 GPRESSURE: 2865800 137.49 -16.7295 -146.137 68.5622 98.0681 213.563 59.618 158.817 -120.919 PRESSAVG: 2865800 -34.5351 -8.69525 -17.1491 -8.69535 23.8279 -21.9199 -17.1492 -21.92 12.6231 GPRESSAVG: 2865800 -34.0566 -7.57366 -17.1204 -7.52288 24.0753 -20.3793 -15.9891 -23.365 12.2678 TIMING: 2865800 CPU: 8950.61, 0.00310985/step Wall: 8950.61, 0.00310985/step, 1.84362 hours remaining, 234.687500 MB of memory in use. ENERGY: 2865800 3964.6793 20709.2138 14385.2582 249.3404 -203123.1230 2734.4364 0.0000 0.0000 51886.5302 -109193.6646 298.1926 -161080.1948 -108843.1083 299.1934 15.4168 38.2131 761473.7922 0.6387 0.7622 PRESSURE: 2866000 -82.7284 -14.4728 -3.80038 -14.4731 368.02 218.192 -3.79949 218.194 -372.767 GPRESSURE: 2866000 44.2206 -125.53 -15.3405 -19.481 331.46 199.131 47.0249 214.547 -336.177 PRESSAVG: 2866000 -76.9773 24.1939 4.92291 24.1939 113.904 15.4993 4.92289 15.4993 -13.4559 GPRESSAVG: 2866000 -76.101 22.0178 5.5545 23.3523 112.819 13.9953 4.54846 17.444 -13.1534 TIMING: 2866000 CPU: 8951.23, 0.00312537/step Wall: 8951.23, 0.00312537/step, 1.85265 hours remaining, 234.687500 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: 2866000 4034.9246 20553.5178 14459.2012 239.0294 -202811.1985 2444.0181 0.0000 0.0000 52038.0659 -109042.4415 299.0635 -161080.5074 -108691.9308 299.1100 -29.1585 13.1677 761577.9074 7.8235 7.8548 PRESSURE: 2866200 -25.2833 -35.7856 -16.1844 -35.7853 -109.27 -158.875 -16.1838 -158.874 9.42619 GPRESSURE: 2866200 55.9869 -5.36511 26.472 -14.2152 -162.018 -152.517 -20.3054 -145.786 52.4363 PRESSAVG: 2866200 -49.834 -23.0909 29.7212 -23.0909 55.1688 -19.9341 29.7212 -19.9341 8.06914 GPRESSAVG: 2866200 -50.873 -23.2217 29.772 -20.7334 56.1386 -20.4207 29.2449 -20.4503 7.36999 TIMING: 2866200 CPU: 8951.86, 0.00313609/step Wall: 8951.86, 0.00313609/step, 1.85883 hours remaining, 234.687500 MB of memory in use. ENERGY: 2866200 4002.0397 20538.2322 14485.0684 263.0683 -202639.3237 2319.9281 0.0000 0.0000 51882.9121 -109148.0749 298.1718 -161030.9870 -108772.4197 299.6408 -41.7091 -17.8650 763020.4151 4.4680 4.2119 PRESSURE: 2866400 -86.3188 -30.0318 -275.116 -30.0314 -112.879 145.794 -275.117 145.795 -220.941 GPRESSURE: 2866400 -134.015 -49.1848 -336.404 -54.953 -53.1937 161.513 -153.881 135.912 -171.655 PRESSAVG: 2866400 -69.3166 36.1478 -19.5367 36.1478 54.4064 -55.9993 -19.5367 -55.9993 -13.9079 GPRESSAVG: 2866400 -70.1338 35.9615 -20.7689 34.6941 53.3071 -56.014 -17.5974 -54.7572 -12.0022 TIMING: 2866400 CPU: 8952.49, 0.00313729/step Wall: 8952.49, 0.00313728/step, 1.85936 hours remaining, 234.687500 MB of memory in use. ENERGY: 2866400 3987.5400 20585.0171 14477.5594 246.9224 -203113.2685 2729.6115 0.0000 0.0000 52187.9456 -108898.6726 299.9248 -161086.6181 -108538.4570 299.8799 -140.0462 -119.6211 763621.2123 -9.6060 -9.6096 PRESSURE: 2866600 113.906 -196.313 77.7803 -196.313 72.084 9.98965 77.7809 9.98955 52.6719 GPRESSURE: 2866600 142.861 -84.3779 0.628342 -119.112 134.942 -50.6143 83.7298 15.8661 32.2449 PRESSAVG: 2866600 0.0483172 -43.5131 -26.9983 -43.5131 23.7512 -54.5673 -26.9983 -54.5672 8.07308 GPRESSAVG: 2866600 -0.416421 -40.9418 -25.5278 -42.1555 25.3522 -53.7824 -29.5339 -55.2098 6.16542 TIMING: 2866600 CPU: 8953.11, 0.0031235/step Wall: 8953.11, 0.0031235/step, 1.85102 hours remaining, 234.687500 MB of memory in use. ENERGY: 2866600 4025.6090 20615.4525 14473.0730 235.0521 -203041.9193 2701.5209 0.0000 0.0000 51950.2271 -109040.9848 298.5587 -160991.2119 -108693.8942 299.4580 79.5540 103.3492 762393.0517 10.6242 10.3671 PRESSURE: 2866800 -108.1 -58.5479 259.706 -58.5473 300.117 -11.1689 259.706 -11.1695 -48.124 GPRESSURE: 2866800 -64.9487 63.6185 243.759 -182.074 353.353 67.108 173.65 -126.925 -33.6585 PRESSAVG: 2866800 0.412101 22.1729 -1.95152 22.1729 7.69059 16.6624 -1.95154 16.6624 1.34891 GPRESSAVG: 2866800 1.58736 22.3921 -2.99533 19.9617 5.95961 17.4629 0.26278 14.974 1.47809 TIMING: 2866800 CPU: 8953.74, 0.00313549/step Wall: 8953.74, 0.00313549/step, 1.85795 hours remaining, 234.687500 MB of memory in use. ENERGY: 2866800 4003.9397 20464.8465 14473.7183 239.5963 -203125.8896 2770.8031 0.0000 0.0000 51965.6707 -109207.3152 298.6474 -161172.9858 -108841.2969 299.5915 47.9643 84.9152 762773.6399 3.1505 3.0084 PRESSURE: 2867000 104.16 -106.968 27.7086 -106.967 -11.3189 22.1259 27.7081 22.1259 -243.267 GPRESSURE: 2867000 116.173 -211.785 64.614 -261.714 35.0652 29.4029 13.928 -112.44 -198.907 PRESSAVG: 2867000 -2.21284 6.67881 45.7193 6.67878 39.7531 -8.38341 45.7193 -8.38334 17.0121 GPRESSAVG: 2867000 -3.45621 3.97019 46.855 7.52217 42.2898 -8.73702 43.9689 -9.63592 16.4343 TIMING: 2867000 CPU: 8954.37, 0.00312407/step Wall: 8954.37, 0.00312407/step, 1.85101 hours remaining, 234.687500 MB of memory in use. ENERGY: 2867000 3978.6458 20406.3459 14380.2512 260.1778 -203193.8870 2746.5046 0.0000 0.0000 52022.3617 -109399.6000 298.9732 -161421.9617 -109031.2606 299.2975 -50.1419 -15.8897 761291.6578 18.1841 18.4226 PRESSURE: 2867200 -175.96 -71.2302 175.587 -71.2306 113.524 -99.7591 175.587 -99.7587 -283.913 GPRESSURE: 2867200 -115.905 17.5867 122.914 -117.7 91.8663 -186.434 224.018 -113.732 -238.176 PRESSAVG: 2867200 13.9395 -50.6579 40.7013 -50.6579 -3.32323 -26.2759 40.7014 -26.2759 -1.55236 GPRESSAVG: 2867200 14.2868 -51.0138 38.9055 -50.5704 -5.97005 -26.8152 43.7629 -24.1079 -0.527445 TIMING: 2867200 CPU: 8954.99, 0.00311042/step Wall: 8954.99, 0.00311042/step, 1.84275 hours remaining, 234.687500 MB of memory in use. ENERGY: 2867200 4029.8285 20450.8303 14484.3866 247.3666 -203283.6325 2557.2569 0.0000 0.0000 52032.4179 -109481.5458 299.0310 -161513.9637 -109127.4304 298.8582 -115.4496 -87.4049 760758.7495 3.0213 2.5964 PRESSURE: 2867400 113.978 6.92798 16.2076 6.92762 -212.587 15.5218 16.2076 15.5224 -64.1755 GPRESSURE: 2867400 153.309 -65.0499 34.6065 60.1885 -102.754 49.7753 2.73732 -90.3033 -119.529 PRESSAVG: 2867400 -26.7613 -44.7915 -6.26365 -44.7915 20.5337 -41.4315 -6.26365 -41.4315 -13.7706 GPRESSAVG: 2867400 -25.6739 -44.8616 -5.87039 -44.6101 20.2898 -40.0124 -8.3734 -43.5229 -14.6908 TIMING: 2867400 CPU: 8955.61, 0.00309339/step Wall: 8955.61, 0.00309339/step, 1.83249 hours remaining, 234.687500 MB of memory in use. ENERGY: 2867400 4009.0788 20424.0900 14441.6242 254.2286 -202862.5718 2527.7290 0.0000 0.0000 51876.6702 -109329.1509 298.1359 -161205.8211 -108961.7468 299.2146 -54.2615 -22.9915 762573.4827 -6.6661 -6.6917 PRESSURE: 2867600 120.145 -21.8623 -145.529 -21.8608 -58.5729 -241.416 -145.529 -241.417 343.348 GPRESSURE: 2867600 199.333 -27.3173 -35.653 -48.0413 -43.1002 -261.612 -238.29 -3.81511 335.135 PRESSAVG: 2867600 21.2661 -16.1666 31.7115 -16.1666 -10.5993 -36.7267 31.7116 -36.7268 -10.5764 GPRESSAVG: 2867600 19.8634 -14.8138 32.3213 -15.2107 -8.57563 -38.4232 31.3392 -34.897 -10.9818 TIMING: 2867600 CPU: 8956.23, 0.00310579/step Wall: 8956.23, 0.00310579/step, 1.83966 hours remaining, 234.687500 MB of memory in use. ENERGY: 2867600 3964.5573 20595.1124 14448.5861 251.4310 -203078.6619 2569.1504 0.0000 0.0000 52039.4076 -109210.4170 299.0712 -161249.8246 -108834.6416 298.8279 134.9734 163.7894 762496.3931 0.0301 0.1020 PRESSURE: 2867800 270.835 -31.5857 445.502 -31.5861 26.1199 16.2165 445.501 16.2171 -88.5382 GPRESSURE: 2867800 335.021 -26.4005 481.484 101.733 51.3377 31.3319 299.224 -82.8006 -90.909 PRESSAVG: 2867800 15.9274 17.6943 16.5444 17.6943 -24.6013 14.3831 16.5444 14.3832 46.9153 GPRESSAVG: 2867800 15.8975 19.5853 16.4708 14.3127 -25.1132 16.1716 15.8041 15.2084 47.404 TIMING: 2867800 CPU: 8956.85, 0.00312195/step Wall: 8956.85, 0.00312195/step, 1.84906 hours remaining, 234.687500 MB of memory in use. ENERGY: 2867800 4014.1560 20668.0411 14420.9695 241.2927 -203747.1939 3092.3278 0.0000 0.0000 52122.0075 -109188.3993 299.5459 -161310.4068 -108828.9750 299.4973 69.4721 98.4831 761516.0036 12.7471 12.7295 PRESSURE: 2868000 -316.103 6.79625 -238.61 6.79597 -325.836 2.14526 -238.61 2.14526 185.642 GPRESSURE: 2868000 -271.891 -66.3467 -262.324 -52.0903 -265.066 -32.8397 -180.386 -99.1026 160.244 PRESSAVG: 2868000 6.09002 2.05048 9.34989 2.05046 -3.11109 -25.3204 9.34985 -25.3204 5.46782 GPRESSAVG: 2868000 6.96891 1.48403 9.00844 3.88995 -3.99591 -26.839 10.6638 -26.3594 5.33796 TIMING: 2868000 CPU: 8957.48, 0.00311885/step Wall: 8957.48, 0.00311885/step, 1.84705 hours remaining, 234.687500 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: 2868000 4063.4662 20513.2934 14482.8190 246.7379 -203090.0437 2451.6957 0.0000 0.0000 52251.2233 -109080.8083 300.2885 -161332.0316 -108711.1886 299.3886 -152.0989 -125.5711 760829.7517 2.8156 2.7703 PRESSURE: 2868200 149.153 35.6975 -52.1198 35.6986 -111.459 94.3371 -52.1204 94.337 -139.385 GPRESSURE: 2868200 54.7227 24.9595 -103.952 90.1086 -48.1913 96.4482 19.1329 110.163 -30.9083 PRESSAVG: 2868200 0.414608 -7.22593 22.4681 -7.22595 -22.5512 31.6378 22.4681 31.6379 21.2872 GPRESSAVG: 2868200 -0.550084 -8.54771 22.7274 -6.8094 -23.3893 33.7839 22.1101 30.8636 22.4855 TIMING: 2868200 CPU: 8958.1, 0.00311924/step Wall: 8958.1, 0.00311924/step, 1.84711 hours remaining, 234.687500 MB of memory in use. ENERGY: 2868200 4054.2379 20527.2557 14477.7919 245.9462 -203142.6246 2582.6844 0.0000 0.0000 52003.2607 -109251.4478 298.8635 -161254.7085 -108892.7374 299.5425 -33.8969 -8.1256 760720.8046 -0.2831 -0.4846 LDB: ============= START OF LOAD BALANCING ============== 8970.58 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8970.58 LDB: =============== DONE WITH MIGRATION ================ 8970.58 LDB: ============= START OF LOAD BALANCING ============== 8970.89 LDB: Largest compute 7030 load 0.030237 is 15.5% of average load 0.195214 LDB: Average compute 0.004393 is 2.3% of average load 0.195214 LDB: TIME 8970.9 LOAD: AVG 0.195214 MAX 0.213183 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.309 MB LDB: TIME 8970.9 LOAD: AVG 0.195214 MAX 0.213183 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.309 MB LDB: TIME 8970.9 LOAD: AVG 0.195214 MAX 0.213183 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.309 MB LDB: ============== END OF LOAD BALANCING =============== 8970.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8970.91 PRESSURE: 2868400 3.50169 -73.1854 -21.1027 -73.1853 -35.5788 198.913 -21.1031 198.913 -88.9614 GPRESSURE: 2868400 57.0937 -33.9675 -2.75613 -165.643 57.1334 137.486 133.436 147.113 -140.23 PRESSAVG: 2868400 17.504 -36.4428 -15.8316 -36.4428 -13.0012 46.4366 -15.8316 46.4366 23.7401 GPRESSAVG: 2868400 19.0679 -36.3336 -14.9749 -36.7929 -12.6074 43.7503 -13.509 47.292 22.2782 TIMING: 2868400 CPU: 8958.74, 0.00320108/step Wall: 8958.74, 0.00320108/step, 1.89539 hours remaining, 234.562500 MB of memory in use. ENERGY: 2868400 3985.2758 20517.3296 14464.2182 259.5072 -203140.0513 2403.2000 0.0000 0.0000 52139.6274 -109370.8931 299.6472 -161510.5205 -108998.0632 298.5806 -40.3461 -8.6675 761956.9307 9.4143 9.5796 PRESSURE: 2868600 428.77 17.9372 32.9317 17.9372 -32.2912 -52.4019 32.9307 -52.4022 299.962 GPRESSURE: 2868600 454.037 -76.6411 85.8169 15.2654 23.7043 -74.6094 -13.5213 35.9621 296.753 PRESSAVG: 2868600 -0.630135 -26.9792 9.71391 -26.9792 33.3508 -7.63052 9.71388 -7.63041 -12.1726 GPRESSAVG: 2868600 -1.89958 -27.2129 9.05486 -27.1927 33.9935 -5.294 9.04403 -10.5824 -11.9559 TIMING: 2868600 CPU: 8959.36, 0.00310809/step Wall: 8959.36, 0.00310809/step, 1.84016 hours remaining, 234.761719 MB of memory in use. ENERGY: 2868600 3968.6847 20677.2019 14408.8367 230.3110 -203207.2695 2769.4225 0.0000 0.0000 51895.6404 -109257.1722 298.2450 -161152.8126 -108888.1123 298.7705 232.1470 258.1648 761612.9111 6.8494 6.7127 PRESSURE: 2868800 11.3944 -1.81945 232.14 -1.81878 -419.637 -211.303 232.14 -211.303 -169.915 GPRESSURE: 2868800 -8.0519 8.19726 202.967 58.0328 -331.121 -275.655 138.018 -343.868 -148.206 PRESSAVG: 2868800 16.7379 -77.9774 -25.0894 -77.9774 -12.5233 -8.4643 -25.0894 -8.46435 0.331905 GPRESSAVG: 2868800 17.8301 -76.0095 -24.6783 -77.3721 -12.8115 -10.6746 -25.3939 -4.72135 -0.0933367 TIMING: 2868800 CPU: 8959.98, 0.00310617/step Wall: 8959.98, 0.00310617/step, 1.83885 hours remaining, 234.761719 MB of memory in use. ENERGY: 2868800 3975.1904 20482.9402 14441.8189 262.1274 -202914.2719 2347.4070 0.0000 0.0000 52107.8580 -109296.9301 299.4646 -161404.7881 -108935.1434 299.1566 -192.7190 -162.4597 762269.9507 1.5155 1.6417 PRESSURE: 2869000 -318.525 -118.488 -20.7673 -118.488 -94.0543 248.108 -20.7667 248.108 280.378 GPRESSURE: 2869000 -219.653 -97.6315 -3.72606 -117.413 -70.1236 297.954 21.3075 287.699 253.229 PRESSAVG: 2869000 16.9975 -38.4992 9.51395 -38.4992 -37.5795 -4.72007 9.51396 -4.72006 10.5614 GPRESSAVG: 2869000 16.2414 -40.6828 8.96161 -38.861 -37.3088 -2.93812 7.74457 -4.66663 11.1363 TIMING: 2869000 CPU: 8960.61, 0.00312252/step Wall: 8960.61, 0.00312252/step, 1.84836 hours remaining, 234.761719 MB of memory in use. ENERGY: 2869000 3908.3307 20513.0412 14445.5412 245.1747 -203218.3890 2865.1820 0.0000 0.0000 52016.7799 -109224.3392 298.9411 -161241.1191 -108858.2039 299.2649 -44.0672 -12.1828 762478.8967 -3.3402 -3.3103 PRESSURE: 2869200 -170.521 50.0869 -82.5442 50.0864 378.415 -6.46376 -82.5453 -6.46291 -237.139 GPRESSURE: 2869200 -128.505 81.1292 -36.2386 -21.2294 358.547 -60.2809 -225.409 -34.4526 -162.332 PRESSAVG: 2869200 76.3464 -12.7915 -13.8285 -12.7915 -15.6599 65.896 -13.8285 65.896 -5.22386 GPRESSAVG: 2869200 76.6465 -12.4305 -13.8271 -12.5322 -16.3496 66.1764 -12.3682 64.1332 -4.78246 TIMING: 2869200 CPU: 8961.23, 0.00311608/step Wall: 8961.23, 0.00311609/step, 1.84438 hours remaining, 234.761719 MB of memory in use. ENERGY: 2869200 3944.1224 20437.4242 14485.5805 256.5910 -203306.7653 2793.2004 0.0000 0.0000 51972.7571 -109417.0897 298.6881 -161389.8468 -109055.4768 298.9628 -9.7484 22.5700 762815.8028 18.4875 18.5048 PRESSURE: 2869400 -4.63229 -59.2736 64.9216 -59.2742 -384.58 -114.154 64.9212 -114.155 107.896 GPRESSURE: 2869400 98.0917 -58.8967 118.247 -98.4221 -388.146 81.1606 88.3226 -182.213 106.742 PRESSAVG: 2869400 24.7806 -4.25978 26.4141 -4.2598 -18.7636 -15.7339 26.414 -15.734 -2.43915 GPRESSAVG: 2869400 25.0258 -2.37083 28.1973 -4.88953 -18.2331 -15.5167 26.1874 -13.744 -3.15476 TIMING: 2869400 CPU: 8961.85, 0.00310972/step Wall: 8961.85, 0.00310972/step, 1.84044 hours remaining, 234.761719 MB of memory in use. ENERGY: 2869400 3947.8144 20538.8369 14430.3751 244.9560 -203213.3144 2261.8978 0.0000 0.0000 52238.6832 -109550.7509 300.2164 -161789.4341 -109193.3953 298.6822 -93.7721 -61.1041 761379.4794 1.1926 1.2126 PRESSURE: 2869600 186.613 -111.528 75.4403 -111.528 233.995 -434.36 75.4395 -434.36 514.238 GPRESSURE: 2869600 233.043 -54.5898 22.8224 -166.399 226.235 -416.706 -54.1633 -360.277 563.985 PRESSAVG: 2869600 13.7593 -5.16819 -2.3022 -5.16825 -16.5919 -38.0676 -2.30221 -38.0677 20.0695 GPRESSAVG: 2869600 14.071 -6.82584 -2.08658 -3.65855 -16.7578 -40.2626 -2.46427 -40.1023 20.3368 TIMING: 2869600 CPU: 8962.48, 0.00311807/step Wall: 8962.48, 0.00311807/step, 1.8452 hours remaining, 234.761719 MB of memory in use. ENERGY: 2869600 3917.4092 20606.8926 14362.9610 236.1340 -203507.5181 2723.2506 0.0000 0.0000 52233.1988 -109427.6720 300.1849 -161660.8708 -109061.5311 298.8745 311.6151 341.0879 760628.8576 5.7456 5.8833 PRESSURE: 2869800 -147.17 110.535 -117.17 110.534 217.458 -6.21699 -117.17 -6.21656 160.246 GPRESSURE: 2869800 -94.6456 74.3884 -122.539 137.604 215.363 13.6724 -78.012 -0.0803527 172.326 PRESSAVG: 2869800 26.4418 -8.49909 -36.0111 -8.49908 32.6882 -41.8123 -36.0112 -41.8123 -34.5332 GPRESSAVG: 2869800 25.6009 -8.41755 -37.5015 -8.63678 32.2256 -40.124 -35.8354 -40.725 -33.4575 TIMING: 2869800 CPU: 8963.1, 0.00310902/step Wall: 8963.1, 0.00310902/step, 1.83968 hours remaining, 234.761719 MB of memory in use. ENERGY: 2869800 4003.4694 20442.5776 14431.4780 263.7249 -203169.0554 2611.0144 0.0000 0.0000 52311.3888 -109105.4023 300.6343 -161416.7911 -108738.5846 299.4460 76.8444 97.6813 761136.9250 8.1989 8.1230 PRESSURE: 2870000 -61.7788 -126.304 -7.30637 -126.305 -121.823 -48.313 -7.30712 -48.3138 249.874 GPRESSURE: 2870000 4.30898 -12.4284 -85.0464 -66.4751 -97.3504 -49.8793 21.7407 -112.473 249.306 PRESSAVG: 2870000 1.09344 20.3573 -71.9904 20.3573 -25.9013 -63.4016 -71.9904 -63.4017 8.66939 GPRESSAVG: 2870000 2.08713 21.2304 -71.7171 19.7719 -25.2089 -64.9388 -72.0219 -62.3581 6.81264 TIMING: 2870000 CPU: 8963.72, 0.00312954/step Wall: 8963.72, 0.00312954/step, 1.85164 hours remaining, 234.761719 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: 2870000 4029.7234 20538.5187 14386.9985 233.2430 -203533.5793 3002.9647 0.0000 0.0000 52192.3696 -109149.7614 299.9503 -161342.1310 -108786.0867 299.6273 22.0906 52.0883 761337.0124 -5.3795 -5.4364 PRESSURE: 2870200 -233.55 -36.3237 338.746 -36.3237 171.381 230.904 338.746 230.904 -172.238 GPRESSURE: 2870200 -97.2225 -18.3087 329.7 -60.2246 126.214 208.322 275.394 185.807 -179.562 PRESSAVG: 2870200 -36.1754 -25.8876 -33.6393 -25.8877 -29.6117 -24.4061 -33.6393 -24.4061 -28.8166 GPRESSAVG: 2870200 -36.0424 -25.7434 -32.865 -27.4666 -30.2767 -23.6903 -36.8861 -26.9579 -27.9502 TIMING: 2870200 CPU: 8964.34, 0.0031054/step Wall: 8964.34, 0.0031054/step, 1.83719 hours remaining, 234.761719 MB of memory in use. ENERGY: 2870200 4001.3957 20672.9466 14459.1074 239.3559 -202890.6442 2674.6133 0.0000 0.0000 51722.5405 -109120.6848 297.2502 -160843.2254 -108773.3753 299.3612 -78.1355 -50.1903 761628.3114 -31.5346 -31.4231 PRESSURE: 2870400 60.9231 -75.4412 -75.8835 -75.4401 -40.1419 -81.8815 -75.8839 -81.8805 147.196 GPRESSURE: 2870400 68.9988 17.9556 -33.1042 -103.488 11.7242 11.817 47.5356 -159.142 154.375 PRESSAVG: 2870400 -44.7852 -7.2334 -13.304 -7.23338 26.3965 42.3733 -13.304 42.3733 -0.766823 GPRESSAVG: 2870400 -44.8942 -7.58269 -14.2628 -7.59208 27.045 42.7082 -10.7753 43.2706 -1.02879 TIMING: 2870400 CPU: 8964.97, 0.00310692/step Wall: 8964.97, 0.00310692/step, 1.83791 hours remaining, 234.761719 MB of memory in use. ENERGY: 2870400 3998.8386 20339.0336 14516.5894 240.8458 -203002.8326 2686.5126 0.0000 0.0000 52151.0032 -109070.0094 299.7125 -161221.0126 -108694.0618 299.7190 55.9925 78.3660 762754.0555 -6.3852 -6.2927 PRESSURE: 2870600 237.903 -136.816 61.7843 -136.815 99.8488 -14.9203 61.7837 -14.9206 243.293 GPRESSURE: 2870600 247.079 -117.371 98.3972 -115.747 121.482 7.92205 92.9109 38.4453 280.414 PRESSAVG: 2870600 13.0425 -43.7254 -15.8763 -43.7253 -20.1769 2.14241 -15.8762 2.14245 17.8463 GPRESSAVG: 2870600 13.6733 -43.3582 -15.6069 -42.7422 -19.3419 0.474963 -15.7454 2.57226 16.5451 TIMING: 2870600 CPU: 8965.59, 0.00310791/step Wall: 8965.59, 0.0031079/step, 1.83833 hours remaining, 234.761719 MB of memory in use. ENERGY: 2870600 4024.8100 20562.6833 14484.4223 243.8798 -203619.2568 2902.3793 0.0000 0.0000 52271.3074 -109129.7747 300.4039 -161401.0821 -108763.8922 300.1449 193.6815 216.3250 762012.7636 3.5706 3.6255 PRESSURE: 2870800 -361.338 -55.2642 232.965 -55.264 -152.555 -10.6354 232.964 -10.6356 -189.098 GPRESSURE: 2870800 -354.303 -145.7 229.185 0.516423 -53.1032 85.7338 246.162 -29.1896 -206.35 PRESSAVG: 2870800 15.7617 10.8929 36.1049 10.893 -6.65259 47.0935 36.1049 47.0935 -9.75489 GPRESSAVG: 2870800 16.0637 10.924 35.0247 11.8073 -7.94569 47.5772 37.3082 46.229 -9.41528 TIMING: 2870800 CPU: 8966.21, 0.00310341/step Wall: 8966.21, 0.00310341/step, 1.8355 hours remaining, 234.761719 MB of memory in use. ENERGY: 2870800 3946.8920 20610.7269 14473.4433 238.8614 -203066.6852 2490.6098 0.0000 0.0000 52127.6049 -109178.5470 299.5781 -161306.1519 -108823.2588 299.8290 -234.3303 -204.5854 763633.7142 -0.2152 -0.4324 PRESSURE: 2871000 -285.821 79.2222 -49.8399 79.2225 -144.179 143.074 -49.8405 143.074 156.28 GPRESSURE: 2871000 -196.28 99.0679 -28.7121 96.3582 -149.877 60.8433 -60.0175 43.0528 168.235 PRESSAVG: 2871000 -9.35191 -3.51489 -2.71869 -3.51489 14.5482 16.0126 -2.71871 16.0127 17.5314 GPRESSAVG: 2871000 -9.03354 -2.67444 -3.287 -1.46064 14.6224 15.5095 -4.61006 17.8721 17.2656 TIMING: 2871000 CPU: 8966.83, 0.00309825/step Wall: 8966.83, 0.00309825/step, 1.83227 hours remaining, 234.761719 MB of memory in use. ENERGY: 2871000 4095.2462 20605.8936 14403.9665 273.6812 -203027.6408 2248.8460 0.0000 0.0000 52118.7056 -109281.3017 299.5269 -161400.0073 -108924.7398 299.5427 -91.2400 -59.3069 760984.8183 7.5759 7.6182 PRESSURE: 2871200 97.0857 -78.9798 -94.0664 -78.9796 -49.0131 -128.34 -94.0673 -128.34 -170.93 GPRESSURE: 2871200 170.208 -157.08 14.2292 -286.055 -8.11843 -147.042 42.962 -93.003 -198.533 PRESSAVG: 2871200 59.1846 17.1656 -78.7935 17.1657 -6.17495 0.49721 -78.7936 0.497273 6.31643 GPRESSAVG: 2871200 57.7527 16.0782 -76.4989 14.4128 -5.05444 0.163905 -77.0867 -1.00169 6.73354 TIMING: 2871200 CPU: 8967.45, 0.00310371/step Wall: 8967.45, 0.00310371/step, 1.83532 hours remaining, 234.761719 MB of memory in use. ENERGY: 2871200 4050.1206 20468.7460 14448.6443 255.8164 -203089.6631 2350.5672 0.0000 0.0000 52129.6516 -109386.1169 299.5898 -161515.7685 -109014.5917 299.5749 -40.9526 -12.1481 761561.2119 19.7754 19.8106 PRESSURE: 2871400 213.02 33.398 107.685 33.3982 -25.7804 -56.7867 107.685 -56.7869 -150.172 GPRESSURE: 2871400 258.238 6.13296 60.5184 50.1004 -17.7381 -86.9582 -4.88724 -191.349 -143.074 PRESSAVG: 2871400 19.9904 -25.5347 -5.27517 -25.5347 -15.0939 28.6587 -5.27515 28.6587 2.85328 GPRESSAVG: 2871400 20.9 -25.0118 -6.11543 -23.9986 -16.1254 29.5846 -5.80444 29.8995 2.80569 TIMING: 2871400 CPU: 8968.07, 0.00310516/step Wall: 8968.07, 0.00310516/step, 1.83601 hours remaining, 234.761719 MB of memory in use. ENERGY: 2871400 3966.1892 20513.9951 14398.0493 251.9137 -203356.4655 2508.8256 0.0000 0.0000 52035.0734 -109682.4191 299.0463 -161717.4925 -109322.9603 298.3386 12.3559 32.4752 760748.3235 2.5833 2.5268 PRESSURE: 2871600 106.015 46.9873 180.926 46.9869 173.182 -34.1063 180.927 -34.1058 -301.365 GPRESSURE: 2871600 156.431 -65.0121 167.19 121.714 95.8535 -134.417 330.07 73.9946 -199.257 PRESSAVG: 2871600 -12.8622 24.2222 33.5072 24.2221 45.2178 13.1515 33.5071 13.1515 -2.79805 GPRESSAVG: 2871600 -11.5841 23.1858 33.247 21.8207 45.154 13.3645 31.2362 11.7262 -4.18145 TIMING: 2871600 CPU: 8968.69, 0.00312185/step Wall: 8968.69, 0.00312185/step, 1.84571 hours remaining, 234.761719 MB of memory in use. ENERGY: 2871600 3983.0157 20572.2210 14465.9889 241.8091 -203078.1804 2444.4715 0.0000 0.0000 51816.8203 -109553.8538 297.7920 -161370.6741 -109189.0044 298.1480 -7.3895 17.6756 761176.4108 9.8525 9.7961 PRESSURE: 2871800 -40.95 152.63 -246.46 152.63 -139.237 77.6951 -246.459 77.6954 -252.668 GPRESSURE: 2871800 -51.4012 104.163 -229.322 63.2576 -6.18141 132.699 -197.48 -0.45882 -263.619 PRESSAVG: 2871800 -23.3546 5.52622 29.866 5.5262 26.693 55.4126 29.866 55.4125 22.3976 GPRESSAVG: 2871800 -24.3296 4.99513 30.8431 6.74121 26.7686 56.5338 30.259 55.2511 23.0424 TIMING: 2871800 CPU: 8969.32, 0.00311881/step Wall: 8969.32, 0.00311881/step, 1.84374 hours remaining, 234.761719 MB of memory in use. ENERGY: 2871800 4023.5952 20485.1091 14418.0776 242.8475 -203357.2387 2719.7186 0.0000 0.0000 51957.3480 -109510.5428 298.5996 -161467.8908 -109159.8535 298.5184 -144.2849 -107.0672 761652.0824 8.5787 8.4938 PRESSURE: 2872000 -213.753 60.3432 -303.884 60.3438 -273.14 99.7237 -303.884 99.7243 -214.191 GPRESSURE: 2872000 -146.805 -36.6229 -311.022 204.221 -312.569 60.1287 -164.68 181.195 -135.599 PRESSAVG: 2872000 -10.8124 -16.6124 -78.7064 -16.6124 30.6397 50.344 -78.7064 50.344 -21.4652 GPRESSAVG: 2872000 -10.7933 -14.77 -80.0046 -18.0701 29.7188 48.7225 -78.5836 51.4424 -20.763 TIMING: 2872000 CPU: 8969.94, 0.00311153/step Wall: 8969.94, 0.00311153/step, 1.83926 hours remaining, 234.761719 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: 2872000 3996.7738 20685.5292 14394.2885 249.0638 -203557.0913 2682.3001 0.0000 0.0000 52157.0710 -109392.0650 299.7474 -161549.1360 -109029.8726 299.0543 -233.6947 -198.3244 762235.6549 -0.5460 -0.6125 PRESSURE: 2872200 -149.507 -73.0035 194.869 -73.0031 94.7285 62.6119 194.869 62.6112 110.769 GPRESSURE: 2872200 -82.242 -54.1834 167.24 -110.296 140.415 85.0089 279.08 72.0277 82.8955 PRESSAVG: 2872200 -8.6944 -9.99239 -21.0082 -9.99239 5.51708 29.4949 -21.0082 29.495 -12.6893 GPRESSAVG: 2872200 -8.96492 -12.3684 -20.7498 -7.45262 5.94937 29.9014 -18.2387 31.0226 -13.1529 TIMING: 2872200 CPU: 8970.56, 0.00310891/step Wall: 8970.56, 0.00310891/step, 1.83754 hours remaining, 234.761719 MB of memory in use. ENERGY: 2872200 3986.6279 20412.2705 14364.3546 263.4763 -203268.0986 2882.6218 0.0000 0.0000 52026.7485 -109331.9990 298.9984 -161358.7475 -108975.5114 299.7135 18.6634 47.0228 764178.9960 -5.2889 -5.3895 LDB: ============= START OF LOAD BALANCING ============== 8983.04 LDB: ============== END OF LOAD BALANCING =============== 8983.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8983.04 LDB: ============= START OF LOAD BALANCING ============== 8983.35 LDB: Largest compute 7030 load 0.029506 is 15.1% of average load 0.195130 LDB: Average compute 0.004395 is 2.3% of average load 0.195130 LDB: TIME 8983.36 LOAD: AVG 0.19513 MAX 0.214141 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.82 MB LDB: TIME 8983.36 LOAD: AVG 0.19513 MAX 0.214141 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.887 MB LDB: TIME 8983.36 LOAD: AVG 0.19513 MAX 0.214141 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.887 MB LDB: ============== END OF LOAD BALANCING =============== 8983.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8983.37 PRESSURE: 2872400 -44.4878 145.243 91.2725 145.244 -194.547 -106.483 91.2726 -106.482 -471.816 GPRESSURE: 2872400 -49.2978 102.617 113.658 167.326 -111.712 -96.4517 109.964 -19.4488 -459.369 PRESSAVG: 2872400 24.6176 -30.6514 -34.0573 -30.6514 13.945 43.4026 -34.0573 43.4026 -3.77693 GPRESSAVG: 2872400 25.0536 -29.5252 -32.7306 -32.068 14.8127 43.4077 -37.3549 41.3893 -4.4692 TIMING: 2872400 CPU: 8971.2, 0.00318749/step Wall: 8971.2, 0.00318749/step, 1.88381 hours remaining, 237.195312 MB of memory in use. ENERGY: 2872400 3932.5514 20609.5246 14367.4668 234.8533 -203053.2462 2492.7407 0.0000 0.0000 52145.7649 -109270.3446 299.6824 -161416.1095 -108901.1898 299.1007 -236.9501 -206.7928 764818.0418 11.5952 11.7990 PRESSURE: 2872600 230.23 -279.631 16.4792 -279.63 -59.6052 189.591 16.4786 189.592 -83.8075 GPRESSURE: 2872600 296.687 -302.222 -90.3174 -328.355 -84.4162 180.979 24.7241 94.9025 -44.4224 PRESSAVG: 2872600 -1.89976 -9.54577 -22.7075 -9.54573 -14.0606 62.2316 -22.7075 62.2316 3.29516 GPRESSAVG: 2872600 -1.15904 -10.0331 -24.0217 -9.54626 -15.2569 63.1047 -20.4291 61.4324 3.89603 TIMING: 2872600 CPU: 8971.82, 0.00311146/step Wall: 8971.82, 0.00311146/step, 1.8387 hours remaining, 237.398438 MB of memory in use. ENERGY: 2872600 4032.4172 20577.8889 14383.8925 243.7041 -203196.8113 2479.6146 0.0000 0.0000 52228.8658 -109250.4281 300.1600 -161479.2940 -108887.7778 299.3910 28.9392 55.9493 763243.3110 -4.2217 -4.1733 PRESSURE: 2872800 194.652 -43.5554 -36.2768 -43.555 226.432 -77.429 -36.2768 -77.4286 237.444 GPRESSURE: 2872800 197.797 -70.5307 -48.8574 -121.793 314.839 -52.4857 -73.929 -63.4263 242.237 PRESSAVG: 2872800 38.4038 -38.9784 -15.2031 -38.9784 -25.7889 42.1019 -15.2031 42.1018 -10.191 GPRESSAVG: 2872800 37.3947 -37.4401 -14.1321 -36.971 -23.6984 41.7358 -15.1711 43.8161 -11.2389 TIMING: 2872800 CPU: 8972.45, 0.00311708/step Wall: 8972.45, 0.00311708/step, 1.84185 hours remaining, 237.398438 MB of memory in use. ENERGY: 2872800 4063.8554 20482.7844 14492.0199 256.7650 -203403.3446 2854.5632 0.0000 0.0000 51821.2589 -109432.0978 297.8175 -161253.3567 -109065.6356 299.1266 219.5091 251.6246 762004.4033 0.8080 0.8192 PRESSURE: 2873000 -401.798 -201.556 -85.4595 -201.557 -38.1488 81.6589 -85.4588 81.6589 -193.965 GPRESSURE: 2873000 -361.303 -149.628 -56.7318 -208.904 -47.5678 46.5441 -73.1022 124.382 -132.997 PRESSAVG: 2873000 32.5905 -33.3214 -46.4329 -33.3213 23.51 -24.8572 -46.4329 -24.8572 11.2768 GPRESSAVG: 2873000 33.6388 -34.0841 -47.7555 -34.2752 21.1006 -23.3577 -47.1818 -25.6034 12.3344 TIMING: 2873000 CPU: 8973.07, 0.00310917/step Wall: 8973.07, 0.00310917/step, 1.837 hours remaining, 237.398438 MB of memory in use. ENERGY: 2873000 3878.3804 20626.6941 14487.7295 258.3838 -202928.0280 2537.6990 0.0000 0.0000 51745.4224 -109393.7188 297.3817 -161139.1412 -109039.2411 298.7734 -211.3040 -180.6225 763635.9786 22.4591 22.3579 PRESSURE: 2873200 276.143 235.609 -204.412 235.609 -48.0707 27.4045 -204.411 27.4052 193.396 GPRESSURE: 2873200 365.666 250.124 -216.726 199.782 78.6687 -67.822 -84.6697 7.11194 55.8618 PRESSAVG: 2873200 -21.4266 -49.0686 -65.3031 -49.0686 -28.6277 -21.1121 -65.3031 -21.1121 -2.89472 GPRESSAVG: 2873200 -21.3601 -50.161 -63.659 -48.5032 -26.8134 -22.1596 -65.417 -22.8045 -4.79314 TIMING: 2873200 CPU: 8973.69, 0.00310293/step Wall: 8973.69, 0.00310293/step, 1.83314 hours remaining, 237.398438 MB of memory in use. ENERGY: 2873200 3924.1046 20437.5665 14408.8727 247.0334 -203256.4091 2698.3866 0.0000 0.0000 52180.6967 -109359.7486 299.8832 -161540.4453 -108991.8919 299.0272 140.4895 166.7321 763099.6005 -17.6497 -17.6555 PRESSURE: 2873400 117.99 -144.701 70.7112 -144.702 -98.4078 139.237 70.7114 139.237 -27.0833 GPRESSURE: 2873400 197.515 -112.932 -40.4533 -239.136 -132.104 112.277 10.6322 157.037 9.64935 PRESSAVG: 2873400 70.0124 3.99689 -34.7447 3.99677 -21.8006 -33.2267 -34.7447 -33.2266 -12.6179 GPRESSAVG: 2873400 69.7469 5.1124 -36.7292 4.43069 -22.6778 -33.6219 -33.9595 -30.6799 -11.2553 TIMING: 2873400 CPU: 8974.31, 0.00310114/step Wall: 8974.31, 0.00310114/step, 1.83191 hours remaining, 237.398438 MB of memory in use. ENERGY: 2873400 4024.7930 20550.6633 14444.8681 247.6856 -203391.7504 2669.9535 0.0000 0.0000 52133.5233 -109320.2636 299.6121 -161453.7869 -108966.1638 299.5955 -2.5003 25.0199 760277.1418 11.8646 11.9379 PRESSURE: 2873600 -126.82 109.549 24.4451 109.549 -26.4709 -83.9635 24.4465 -83.9641 -289.468 GPRESSURE: 2873600 -117.777 61.3345 172.656 167.826 -5.34551 -2.3404 27.0875 -136.79 -248.121 PRESSAVG: 2873600 -11.3024 15.8671 22.0094 15.8672 -18.4632 -35.2639 22.0094 -35.2638 -6.0242 GPRESSAVG: 2873600 -10.6186 15.8923 23.0252 16.3515 -18.0865 -34.5986 21.6193 -35.1063 -6.64341 TIMING: 2873600 CPU: 8974.93, 0.00311275/step Wall: 8974.93, 0.00311275/step, 1.8386 hours remaining, 237.398438 MB of memory in use. ENERGY: 2873600 3968.5318 20581.5162 14413.8977 252.9577 -202989.5232 2513.0071 0.0000 0.0000 51869.5299 -109390.0829 298.0949 -161259.6128 -109039.6642 299.1233 -147.5864 -123.7478 762494.4441 -11.9299 -11.7828 PRESSURE: 2873800 164.608 -221.331 -88.13 -221.331 -59.4386 32.5305 -88.1297 32.5309 55.3715 GPRESSURE: 2873800 158.7 -166.1 -0.574654 -129.579 61.4246 59.6856 -105.045 264.935 36.4551 PRESSAVG: 2873800 -8.9264 56.7184 -20.723 56.7184 5.33083 13.4364 -20.723 13.4363 26.0805 GPRESSAVG: 2873800 -10.8379 54.8177 -21.2653 55.6504 4.48402 12.8721 -22.2971 11.6429 27.9306 TIMING: 2873800 CPU: 8975.55, 0.00311907/step Wall: 8975.55, 0.00311907/step, 1.84216 hours remaining, 237.398438 MB of memory in use. ENERGY: 2873800 4058.6203 20432.0175 14471.9980 257.2711 -203274.9753 2491.4511 0.0000 0.0000 52158.7898 -109404.8275 299.7573 -161563.6173 -109046.4667 299.1336 53.5136 85.5266 761272.5035 7.4950 7.1922 PRESSURE: 2874000 -206.306 41.0515 39.5701 41.0515 -169.978 -160.054 39.5715 -160.054 224.887 GPRESSURE: 2874000 -167.273 -35.2917 5.76401 22.6965 -148.576 -205.175 7.68687 -50.2768 243.427 PRESSAVG: 2874000 -14.4704 16.4215 -21.2033 16.4215 -6.41379 34.7826 -21.2032 34.7826 -8.88787 GPRESSAVG: 2874000 -13.8643 17.2368 -19.772 16.0122 -6.71749 34.3267 -20.0513 34.968 -9.0158 TIMING: 2874000 CPU: 8976.18, 0.00312515/step Wall: 8976.18, 0.00312515/step, 1.84557 hours remaining, 237.398438 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: 2874000 3951.5982 20390.2347 14400.0792 232.3182 -203107.8533 2656.1760 0.0000 0.0000 52092.5071 -109384.9400 299.3764 -161477.4471 -109017.6672 299.2871 -50.4657 -24.1408 762363.7847 -9.9240 -9.8659 PRESSURE: 2874200 71.4768 -36.3212 -64.2058 -36.3207 67.7903 253.854 -64.2054 253.854 35.6321 GPRESSURE: 2874200 102.055 6.28968 -42.2484 -49.5527 60.075 234.205 -74.183 184.565 87.8059 PRESSAVG: 2874200 -83.9491 10.6501 -19.0916 10.6501 65.6765 0.00536988 -19.0916 0.00535549 -0.127528 GPRESSAVG: 2874200 -83.0938 11.2147 -19.3929 11.3652 65.2668 1.04012 -18.7112 -2.88754 -1.24647 TIMING: 2874200 CPU: 8976.8, 0.00311509/step Wall: 8976.8, 0.00311509/step, 1.83946 hours remaining, 237.398438 MB of memory in use. ENERGY: 2874200 4026.1010 20470.9361 14411.3596 218.5446 -203090.7831 2749.4507 0.0000 0.0000 52213.3502 -109001.0408 300.0708 -161214.3910 -108637.8719 299.1165 58.2997 83.3119 762744.6486 -6.1334 -6.3578 PRESSURE: 2874400 -226.081 -137.38 -190.549 -137.379 -78.8186 -124.773 -190.549 -124.773 -178.872 GPRESSURE: 2874400 -214.101 -150.034 -222.489 -168.397 -94.6827 -148.853 -167.465 -145.597 -75.9242 PRESSAVG: 2874400 12.3395 -10.2834 7.42701 -10.2833 -6.50589 -15.8509 7.427 -15.8508 10.0365 GPRESSAVG: 2874400 12.0787 -11.5064 6.96001 -11.1641 -5.98736 -14.165 8.30193 -14.0843 9.48323 TIMING: 2874400 CPU: 8977.43, 0.00311581/step Wall: 8977.43, 0.00311581/step, 1.83971 hours remaining, 237.398438 MB of memory in use. ENERGY: 2874400 3992.8118 20446.2306 14422.5019 244.7159 -202983.7398 2709.7180 0.0000 0.0000 52085.4492 -109082.3124 299.3358 -161167.7616 -108723.8018 299.8344 -161.2572 -128.2359 762766.8673 5.2900 5.1915 PRESSURE: 2874600 -209.804 -49.4069 211.311 -49.4073 9.35126 63.3391 211.311 63.3386 -290.95 GPRESSURE: 2874600 -190.535 -41.007 151.035 -45.043 93.5202 29.1522 165.01 124.163 -321.835 PRESSAVG: 2874600 -4.09248 -21.5583 -29.7686 -21.5583 -5.76762 17.1018 -29.7686 17.1019 3.39792 GPRESSAVG: 2874600 -4.81084 -20.9082 -29.2708 -22.3865 -5.9061 15.2589 -30.3639 16.7194 4.53792 TIMING: 2874600 CPU: 8978.05, 0.00312442/step Wall: 8978.05, 0.00312442/step, 1.84463 hours remaining, 237.398438 MB of memory in use. ENERGY: 2874600 4003.3914 20558.4098 14419.5814 255.7152 -203155.8641 2622.2590 0.0000 0.0000 52174.9578 -109121.5495 299.8502 -161296.5073 -108768.9856 299.9958 -163.8007 -139.6166 762494.5511 -2.1541 -2.0597 PRESSURE: 2874800 252.542 38.831 -174.085 38.8306 226.551 139.458 -174.085 139.457 566.659 GPRESSURE: 2874800 223.72 -45.9752 -158.137 18.8767 359.094 8.99553 -14.4603 125.971 533.408 PRESSAVG: 2874800 81.3944 -10.6969 -37.0963 -10.6969 -24.9767 70.6728 -37.0963 70.6728 -13.7514 GPRESSAVG: 2874800 81.0501 -11.3008 -37.8769 -9.38166 -25.0035 69.4053 -37.2703 71.9317 -13.7579 TIMING: 2874800 CPU: 8978.67, 0.00311081/step Wall: 8978.67, 0.00311081/step, 1.83641 hours remaining, 237.398438 MB of memory in use. ENERGY: 2874800 3982.5856 20481.0220 14397.2105 247.0586 -203240.2857 2807.3474 0.0000 0.0000 52010.7931 -109314.2684 298.9067 -161325.0615 -108954.7788 299.6735 348.5839 372.0740 760471.9915 14.2221 14.0962 PRESSURE: 2875000 -274.172 -118.051 -14.7856 -118.051 -317.751 -5.72875 -14.7853 -5.72841 -70.8758 GPRESSURE: 2875000 -246.971 -160.721 -0.119016 -75.9714 -263.186 34.1842 -42.0161 -64.1122 -81.4866 PRESSAVG: 2875000 54.6011 -8.37347 -64.2734 -8.37345 -26.9625 37.112 -64.2734 37.112 0.647826 GPRESSAVG: 2875000 55.0271 -8.06919 -64.2828 -9.64146 -27.2357 37.9018 -64.6843 36.1522 0.402666 TIMING: 2875000 CPU: 8979.3, 0.00312025/step Wall: 8979.3, 0.00312024/step, 1.84181 hours remaining, 237.398438 MB of memory in use. ENERGY: 2875000 4004.4905 20364.8019 14399.4547 233.1639 -203161.3667 2662.6568 0.0000 0.0000 52241.4512 -109255.3476 300.2323 -161496.7988 -108895.5181 299.4709 -220.9328 -197.2144 763062.8279 9.4288 9.3980 PRESSURE: 2875200 -387.239 -144.516 151.35 -144.516 -307.294 -20.015 151.35 -20.015 -398.497 GPRESSURE: 2875200 -394.313 -143.28 127.21 -159.475 -201.571 94.6272 210.602 -98.5001 -400.02 PRESSAVG: 2875200 -9.28377 2.8842 -33.1884 2.88421 -6.78923 -42.9646 -33.1884 -42.9646 -27.6444 GPRESSAVG: 2875200 -8.63944 1.77761 -32.9039 2.25413 -6.89703 -43.0304 -33.2129 -43.2035 -27.8986 TIMING: 2875200 CPU: 8979.92, 0.00310253/step Wall: 8979.92, 0.00310253/step, 1.83118 hours remaining, 237.398438 MB of memory in use. ENERGY: 2875200 3983.8063 20530.7605 14408.9009 248.6781 -202364.9995 2318.6941 0.0000 0.0000 51925.2324 -108948.9273 298.4150 -160874.1597 -108601.9926 299.2615 -364.3434 -331.9681 763791.6745 -14.5725 -14.4784 PRESSURE: 2875400 -317.843 102.771 -96.0126 102.771 86.7975 101.881 -96.0114 101.881 378.008 GPRESSURE: 2875400 -317.38 168.916 -95.8876 73.0906 139.509 97.411 -39.2987 87.8018 410.742 PRESSAVG: 2875400 2.80528 17.3945 -36.714 17.3944 3.0379 42.4501 -36.714 42.4501 11.8367 GPRESSAVG: 2875400 1.0231 18.9476 -36.3335 18.2724 4.19273 40.8405 -36.1788 43.9087 12.2702 TIMING: 2875400 CPU: 8980.53, 0.00308934/step Wall: 8980.53, 0.00308934/step, 1.82322 hours remaining, 237.398438 MB of memory in use. ENERGY: 2875400 4022.9121 20539.6904 14363.8442 251.7699 -202744.5744 2566.3742 0.0000 0.0000 51911.7745 -109088.2091 298.3377 -160999.9836 -108736.9205 299.3313 48.9873 77.6235 763890.1271 5.8933 5.8287 PRESSURE: 2875600 -316.246 -5.42348 -38.9833 -5.42472 -254.986 165.337 -38.9833 165.337 131.294 GPRESSURE: 2875600 -230.234 -80.6349 -96.1574 -8.41104 -259.489 167.728 -117.755 198.424 128.546 PRESSAVG: 2875600 -0.948274 19.5661 -68.0189 19.566 -11.2051 4.47964 -68.0189 4.47962 -5.13282 GPRESSAVG: 2875600 0.875966 18.6564 -69.3982 19.8764 -10.7412 6.51868 -68.1439 3.05759 -6.89398 TIMING: 2875600 CPU: 8981.16, 0.00310584/step Wall: 8981.16, 0.00310584/step, 1.83279 hours remaining, 237.398438 MB of memory in use. ENERGY: 2875600 3998.4333 20423.7817 14425.6237 241.6311 -202446.4019 2218.5470 0.0000 0.0000 51927.1683 -109211.2168 298.4262 -161138.3852 -108843.1391 299.2006 -146.6458 -120.3924 763191.8796 -5.7621 -5.5864 PRESSURE: 2875800 -75.1832 32.8165 -106.228 32.817 257.644 197.992 -106.227 197.992 412.202 GPRESSURE: 2875800 -11.0122 85.5355 -229.76 82.8769 256.896 195.294 -12.9598 237.505 433.176 PRESSAVG: 2875800 -58.0207 -28.9782 -5.33438 -28.9782 27.2511 30.0262 -5.33438 30.0262 -4.98584 GPRESSAVG: 2875800 -58.2446 -28.9425 -3.63974 -29.8115 26.9314 28.8511 -5.97601 30.1424 -4.29299 TIMING: 2875800 CPU: 8981.78, 0.00311784/step Wall: 8981.78, 0.00311784/step, 1.8397 hours remaining, 237.398438 MB of memory in use. ENERGY: 2875800 3984.7276 20520.9124 14363.6200 238.2220 -203049.7420 2659.7378 0.0000 0.0000 52055.0454 -109227.4769 299.1611 -161282.5223 -108861.2568 299.0033 198.2208 226.3532 761295.0816 -11.9185 -11.8687 PRESSURE: 2876000 -358.209 120.216 24.6715 120.216 374.615 -72.9956 24.6717 -72.9965 97.0647 GPRESSURE: 2876000 -265.72 20.3997 129.926 101.826 395.095 -27.2691 -55.9994 7.88199 96.1659 PRESSAVG: 2876000 -38.7691 -31.5752 21.5274 -31.5752 32.1477 75.8759 21.5275 75.8758 5.89825 GPRESSAVG: 2876000 -38.5566 -29.6926 21.6242 -31.646 31.9678 76.5079 19.2973 76.7614 6.12495 TIMING: 2876000 CPU: 8982.41, 0.00312903/step Wall: 8982.41, 0.00312903/step, 1.84613 hours remaining, 237.398438 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: 2876000 3935.2537 20424.5929 14434.5364 255.6572 -202374.2922 2332.1274 0.0000 0.0000 51925.0212 -109067.1034 298.4138 -160992.1246 -108703.1977 299.5691 37.8234 75.1805 761459.3012 -0.2411 -0.1546 PRESSURE: 2876200 -179.102 -57.3323 222.649 -57.3322 78.9927 -16.4246 222.649 -16.4252 -88.4433 GPRESSURE: 2876200 -166.282 49.1738 217.501 -238.585 92.9052 57.7664 201.702 -62.0876 -23.0019 PRESSAVG: 2876200 -15.6806 24.8043 -30.6693 24.8043 50.3133 79.572 -30.6693 79.5719 0.309245 GPRESSAVG: 2876200 -16.3646 25.1981 -30.7069 27.5462 49.9729 80.1881 -27.6442 80.2894 0.808559 TIMING: 2876200 CPU: 8983.03, 0.0031287/step Wall: 8983.03, 0.0031287/step, 1.84576 hours remaining, 237.398438 MB of memory in use. ENERGY: 2876200 3908.6458 20444.6797 14407.9300 242.1223 -202571.2011 2255.8571 0.0000 0.0000 52084.7272 -109227.2390 299.3316 -161311.9662 -108864.9763 299.1871 -62.8510 -32.1263 764224.5313 11.6473 11.4723 LDB: ============= START OF LOAD BALANCING ============== 8995.51 LDB: ============== END OF LOAD BALANCING =============== 8995.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8995.51 LDB: ============= START OF LOAD BALANCING ============== 8995.82 LDB: Largest compute 7030 load 0.029862 is 15.3% of average load 0.195096 LDB: Average compute 0.004378 is 2.2% of average load 0.195096 LDB: TIME 8995.83 LOAD: AVG 0.195096 MAX 0.218712 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.863 MB LDB: TIME 8995.83 LOAD: AVG 0.195096 MAX 0.218712 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.93 MB LDB: TIME 8995.83 LOAD: AVG 0.195096 MAX 0.217216 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.93 MB LDB: ============== END OF LOAD BALANCING =============== 8995.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8995.84 PRESSURE: 2876400 192.474 -153.012 30.1197 -153.012 -87.8149 -143.619 30.1195 -143.619 -155.104 GPRESSURE: 2876400 235.969 -108.82 9.47974 -112.661 -96.0942 -197.6 20.1357 -71.8778 -127.096 PRESSAVG: 2876400 13.7828 3.05591 49.7956 3.05588 16.3097 -24.4758 49.7957 -24.4758 8.54336 GPRESSAVG: 2876400 14.0838 -0.258384 48.7733 0.848324 16.6379 -25.0424 49.7913 -27.067 8.07689 TIMING: 2876400 CPU: 8983.67, 0.00319544/step Wall: 8983.67, 0.00319544/step, 1.88495 hours remaining, 234.308594 MB of memory in use. ENERGY: 2876400 3964.8273 20452.5704 14452.7558 250.9080 -203033.9861 2841.5849 0.0000 0.0000 51968.8610 -109102.4787 298.6658 -161071.3397 -108741.1414 298.9396 -16.8149 4.2596 764868.7354 12.8786 12.9329 PRESSURE: 2876600 5.90247 49.3716 14.58 49.3713 -43.2762 -142.066 14.5801 -142.067 151.902 GPRESSURE: 2876600 60.4656 141.943 33.783 -54.9214 24.8307 -43.8907 97.7569 -158.85 125.438 PRESSAVG: 2876600 2.83401 -15.2943 17.1036 -15.2943 -27.5686 -23.6726 17.1035 -23.6725 -16.1854 GPRESSAVG: 2876600 2.38388 -14.6735 18.2734 -13.5835 -27.4924 -24.6325 15.7045 -22.1927 -15.9029 TIMING: 2876600 CPU: 8984.29, 0.00311497/step Wall: 8984.29, 0.00311497/step, 1.83731 hours remaining, 234.363281 MB of memory in use. ENERGY: 2876600 4067.8082 20686.5398 14450.0099 240.7096 -203348.0104 2897.8568 0.0000 0.0000 52009.3937 -108995.6925 298.8987 -161005.0862 -108639.7603 299.5341 38.1759 70.2449 763685.3542 -13.6400 -13.6705 PRESSURE: 2876800 297.54 256.346 421.489 256.346 -78.6582 218.425 421.488 218.424 21.1133 GPRESSURE: 2876800 280.402 180.815 498.847 290.836 -20.577 251.023 233.949 152.387 75.7696 PRESSAVG: 2876800 14.2578 15.9282 19.2807 15.9282 23.613 1.71611 19.2807 1.71598 -4.16119 GPRESSAVG: 2876800 13.0298 16.1384 18.0188 12.3044 24.0509 3.53138 20.1644 -0.628199 -3.45421 TIMING: 2876800 CPU: 8984.92, 0.00311399/step Wall: 8984.92, 0.00311399/step, 1.83656 hours remaining, 234.363281 MB of memory in use. ENERGY: 2876800 4006.3329 20529.2926 14342.9302 229.7290 -203169.4954 2801.4510 0.0000 0.0000 52230.7637 -109028.9961 300.1709 -161259.7598 -108672.0965 300.0391 79.9983 111.8648 763482.6060 11.2365 11.2088 PRESSURE: 2877000 -571.136 -7.66136 172.293 -7.66088 -156.107 14.7878 172.293 14.7877 -446.964 GPRESSURE: 2877000 -502.802 70.3651 72.0591 25.6362 -101.399 -22.2112 10.4546 25.2215 -475.771 PRESSAVG: 2877000 50.2185 -20.5396 40.6397 -20.5396 -14.8176 65.2987 40.6397 65.2987 -9.94651 GPRESSAVG: 2877000 50.9468 -17.7435 40.3253 -18.1344 -15.0595 61.5878 41.8779 67.6576 -10.7296 TIMING: 2877000 CPU: 8985.54, 0.00311271/step Wall: 8985.54, 0.00311271/step, 1.83563 hours remaining, 234.363281 MB of memory in use. ENERGY: 2877000 4038.4775 20453.6035 14438.0809 232.8077 -202301.9648 2105.6456 0.0000 0.0000 52235.4937 -108797.8559 300.1981 -161033.3496 -108423.3831 300.0877 -391.4021 -359.9906 764331.9644 8.4848 8.3859 PRESSURE: 2877200 284.491 12.2555 -119.588 12.2556 197.534 -73.0334 -119.588 -73.0332 233.187 GPRESSURE: 2877200 319.461 -10.0411 -161.786 -17.7822 198.493 -43.843 67.275 -60.2332 284.004 PRESSAVG: 2877200 4.16497 -29.9667 12.0375 -29.9666 66.3445 -21.8057 12.0375 -21.8057 20.4071 GPRESSAVG: 2877200 4.65227 -31.2105 11.7463 -29.7968 66.0327 -19.2565 11.6854 -21.6661 20.7071 TIMING: 2877200 CPU: 8986.17, 0.00313394/step Wall: 8986.17, 0.00313394/step, 1.84798 hours remaining, 234.363281 MB of memory in use. ENERGY: 2877200 3962.8203 20622.2495 14378.8360 239.7256 -203042.3364 2689.4510 0.0000 0.0000 52169.0554 -108980.1986 299.8163 -161149.2541 -108625.2391 300.6367 238.4038 267.3193 760634.0922 30.3055 30.4640 PRESSURE: 2877400 158.016 44.0661 -40.0785 44.0671 -20.0996 293.401 -40.0783 293.4 -163.031 GPRESSURE: 2877400 209.85 -9.79768 27.3377 -31.3584 1.94432 286.819 -24.8919 243.43 -154.082 PRESSAVG: 2877400 -40.7981 3.79178 -27.7667 3.79169 42.0683 4.43951 -27.7667 4.43955 15.2541 GPRESSAVG: 2877400 -39.7787 2.64721 -26.3702 3.41329 41.7729 3.97013 -28.1036 4.74785 14.6124 TIMING: 2877400 CPU: 8986.79, 0.00312114/step Wall: 8986.79, 0.00312114/step, 1.84026 hours remaining, 234.363281 MB of memory in use. ENERGY: 2877400 3993.4903 20526.0897 14375.1003 245.1162 -203297.7742 2807.3811 0.0000 0.0000 52265.5998 -109084.9969 300.3711 -161350.5966 -108712.3408 300.2383 -8.3714 19.2376 762300.6625 5.5081 5.5355 PRESSURE: 2877600 -83.4958 84.876 198.143 84.8767 -162.152 -54.9005 198.142 -54.9011 -320.386 GPRESSURE: 2877600 -79.8495 -92.5584 107.64 38.2717 -111.745 -97.9442 42.3902 -66.0134 -292.369 PRESSAVG: 2877600 -2.21512 14.7536 24.5409 14.7536 25.7759 36.8621 24.5409 36.8622 -4.31759 GPRESSAVG: 2877600 -2.05527 14.7076 25.0667 14.2309 25.3357 38.1437 21.2542 34.1354 -4.04451 TIMING: 2877600 CPU: 8987.41, 0.00310815/step Wall: 8987.41, 0.00310815/step, 1.83243 hours remaining, 234.363281 MB of memory in use. ENERGY: 2877600 3993.9667 20636.6654 14330.3630 229.3194 -202653.9216 2207.1991 0.0000 0.0000 51974.8189 -109281.5891 298.7000 -161256.4081 -108914.4385 299.7120 -188.6780 -161.3213 764155.1110 6.4144 6.4120 PRESSURE: 2877800 -290.166 -197.556 87.3501 -197.556 -73.8893 -24.1878 87.3505 -24.1886 -85.715 GPRESSURE: 2877800 -264.258 -120.696 95.0289 -197.819 -25.5427 42.8949 93.712 26.5135 -57.2174 PRESSAVG: 2877800 12.8531 -12.8851 48.4899 -12.8851 13.3314 34.4868 48.4899 34.4869 -16.6243 GPRESSAVG: 2877800 10.7458 -13.9123 47.633 -11.4441 15.2138 33.2445 49.5203 37.7073 -16.4084 TIMING: 2877800 CPU: 8988.03, 0.00311251/step Wall: 8988.03, 0.00311251/step, 1.83483 hours remaining, 234.363281 MB of memory in use. ENERGY: 2877800 3993.4974 20469.7688 14394.6661 252.8255 -203481.3866 2816.8942 0.0000 0.0000 52189.8217 -109363.9129 299.9356 -161553.7346 -108989.6135 299.1600 -149.9233 -115.6726 762314.8575 3.1868 3.1838 PRESSURE: 2878000 52.8066 8.57069 108.534 8.57104 90.5565 94.0314 108.533 94.0318 46.46 GPRESSURE: 2878000 59.2657 99.35 128.925 -77.5297 164.46 79.7245 103.167 77.0985 61.723 PRESSAVG: 2878000 -14.5861 4.813 20.8665 4.81296 -1.58797 23.4841 20.8666 23.4841 7.57603 GPRESSAVG: 2878000 -14.0218 5.29721 22.1293 5.03277 -1.95798 23.884 20.6234 22.9376 7.76559 TIMING: 2878000 CPU: 8988.65, 0.00309859/step Wall: 8988.65, 0.00309859/step, 1.82645 hours remaining, 234.363281 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: 2878000 3961.6168 20576.1651 14485.6388 248.1424 -203297.7110 2906.8646 0.0000 0.0000 52085.5304 -109033.7528 299.3363 -161119.2832 -108672.5549 299.5897 63.2744 95.1494 762943.0871 -2.8660 -2.7381 PRESSURE: 2878200 251.522 -50.7471 45.8681 -50.7461 35.9848 62.1242 45.8681 62.125 -253.821 GPRESSURE: 2878200 290.555 -40.8317 152.604 -63.0148 7.64863 22.0774 -44.4479 94.0025 -160.736 PRESSAVG: 2878200 -36.2358 12.793 32.1187 12.7931 -17.9433 23.0162 32.1187 23.0162 7.33399 GPRESSAVG: 2878200 -35.9765 13.8803 30.8983 11.6418 -19.1677 23.3043 34.9502 22.1842 8.12441 TIMING: 2878200 CPU: 8989.28, 0.00310899/step Wall: 8989.28, 0.00310899/step, 1.8324 hours remaining, 234.363281 MB of memory in use. ENERGY: 2878200 4083.9538 20481.3421 14431.7482 250.8500 -203270.4212 2667.8157 0.0000 0.0000 51972.1015 -109382.6100 298.6844 -161354.7115 -109022.1108 299.8355 11.2286 45.8225 761081.1107 -15.6150 -15.6733 PRESSURE: 2878400 -116.585 34.9953 173.292 34.9948 107.167 180.803 173.292 180.803 -137.817 GPRESSURE: 2878400 5.19651 -27.4854 120.195 -45.3128 139.908 255.116 156.75 75.2221 -194.949 PRESSAVG: 2878400 -3.92022 22.6656 19.9996 22.6656 29.1625 36.2706 19.9996 36.2707 -26.6118 GPRESSAVG: 2878400 -2.25555 24.7239 20.0341 20.6786 29.3279 35.5228 17.1007 35.4002 -28.1842 TIMING: 2878400 CPU: 8989.9, 0.00311599/step Wall: 8989.9, 0.00311599/step, 1.83636 hours remaining, 234.363281 MB of memory in use. ENERGY: 2878400 3968.9333 20585.6791 14480.3073 253.2296 -203249.1330 2662.9318 0.0000 0.0000 51855.2898 -109442.7621 298.0131 -161298.0519 -109081.4018 298.9053 -49.0782 -16.6148 761366.0581 -0.4565 -0.3706 PRESSURE: 2878600 -3.70528 -15.0385 8.74439 -15.0381 -208.763 -25.8031 8.7449 -25.8039 313.809 GPRESSURE: 2878600 46.1117 58.7007 -24.045 8.70327 -127.23 14.7157 -45.6014 42.7718 263.055 PRESSAVG: 2878600 -26.4953 4.79005 26.0471 4.79005 -9.95222 34.7777 26.0471 34.7777 -8.40448 GPRESSAVG: 2878600 -27.5696 3.86564 26.6956 5.13297 -9.67552 35.2695 27.8817 37.5478 -8.02553 TIMING: 2878600 CPU: 8990.52, 0.00312051/step Wall: 8990.52, 0.00312051/step, 1.83885 hours remaining, 234.363281 MB of memory in use. ENERGY: 2878600 3937.8924 20597.6536 14406.5445 238.3510 -203257.3180 2786.1691 0.0000 0.0000 51976.2004 -109314.5069 298.7079 -161290.7074 -108957.7676 299.1736 33.7804 60.6456 761587.5117 -14.9507 -15.0902 PRESSURE: 2878800 62.9598 -65.5431 -305.932 -65.5429 -73.7687 52.6372 -305.932 52.6379 23.7119 GPRESSURE: 2878800 62.264 -121.989 -200.968 -123.446 -8.63184 -4.05078 -367.383 35.7058 40.7962 PRESSAVG: 2878800 -2.13767 7.56915 12.825 7.56919 -36.8318 8.27241 12.825 8.27243 30.1313 GPRESSAVG: 2878800 -1.74263 5.14476 13.2247 9.58419 -36.0123 9.50098 12.2219 5.22779 29.7505 TIMING: 2878800 CPU: 8991.15, 0.00311915/step Wall: 8991.15, 0.00311915/step, 1.83787 hours remaining, 234.363281 MB of memory in use. ENERGY: 2878800 3978.4984 20469.2204 14488.3181 249.5751 -203299.5083 2867.4248 0.0000 0.0000 52078.9996 -109167.4720 299.2987 -161246.4716 -108789.2444 299.3178 4.3010 31.4761 761060.1926 -2.9460 -2.6681 PRESSURE: 2879000 -370.291 138.246 -46.5925 138.246 44.1704 -10.8648 -46.5927 -10.8641 239.975 GPRESSURE: 2879000 -365.419 162.913 -38.0368 43.1212 49.8334 35.8179 74.3428 12.7349 308.241 PRESSAVG: 2879000 84.1987 30.3495 -1.34274 30.3495 -55.3739 8.85612 -1.34282 8.85607 0.0508164 GPRESSAVG: 2879000 83.8972 31.8533 -2.41043 30.2755 -55.3208 9.49811 -1.21408 11.2427 0.0600574 TIMING: 2879000 CPU: 8991.77, 0.00310177/step Wall: 8991.77, 0.00310177/step, 1.82746 hours remaining, 234.363281 MB of memory in use. ENERGY: 2879000 4061.8322 20474.4995 14413.7119 254.4667 -202960.4967 2393.4490 0.0000 0.0000 51950.7122 -109411.8252 298.5615 -161362.5374 -109047.6731 299.2299 -28.7151 -2.4485 761412.5860 9.6252 9.5455 PRESSURE: 2879200 94.2065 -164.092 -221.058 -164.093 -31.9966 151.688 -221.059 151.688 -274.217 GPRESSURE: 2879200 74.8966 -181.463 -183.503 -34.9079 -51.2299 55.2587 -247.303 219.708 -153.636 PRESSAVG: 2879200 15.4318 29.6405 -46.5366 29.6405 -10.6421 38.396 -46.5365 38.396 21.1009 GPRESSAVG: 2879200 14.7346 28.6216 -47.323 29.0851 -12.0951 36.1162 -46.5793 37.9162 22.9983 TIMING: 2879200 CPU: 8992.39, 0.00311379/step Wall: 8992.39, 0.00311379/step, 1.83437 hours remaining, 234.363281 MB of memory in use. ENERGY: 2879200 4013.6593 20454.0374 14388.5429 242.9147 -203433.9224 2628.5467 0.0000 0.0000 52013.8360 -109692.3855 298.9242 -161706.2216 -109327.6342 298.6140 -70.6689 -43.3231 762179.9439 8.6302 8.5459 PRESSURE: 2879400 200.985 -33.0108 -103.17 -33.0107 78.1961 -26.5573 -103.17 -26.5587 -36.9718 GPRESSURE: 2879400 153.26 -73.4513 -128.098 -57.9371 205.093 -62.1775 -120.351 -85.1106 -25.9895 PRESSAVG: 2879400 -14.7577 -3.38787 15.407 -3.38791 -10.5496 4.80805 15.4069 4.80806 -14.4319 GPRESSAVG: 2879400 -13.5565 -2.55966 15.2658 -4.59818 -9.08062 4.67858 14.598 4.15322 -17.0758 TIMING: 2879400 CPU: 8993.01, 0.00311784/step Wall: 8993.01, 0.00311784/step, 1.83658 hours remaining, 234.363281 MB of memory in use. ENERGY: 2879400 3959.3194 20444.1619 14422.7213 225.8542 -203786.3141 2904.1674 0.0000 0.0000 51857.5093 -109972.5806 298.0258 -161830.0899 -109615.7562 298.2696 80.7364 110.7878 761486.1312 -13.2464 -13.2377 PRESSURE: 2879600 132.068 -182.803 156.502 -182.802 409.192 2.05401 156.502 2.05375 378.872 GPRESSURE: 2879600 274.14 -148.599 209.261 -80.8975 347.078 7.61242 128.176 -65.9224 392.711 PRESSAVG: 2879600 27.7076 -11.0209 41.5533 -11.0209 -23.8613 -56.9088 41.5533 -56.9088 6.22307 GPRESSAVG: 2879600 27.6902 -13.0264 41.7535 -10.3613 -24.2502 -58.2857 42.2123 -55.4794 6.69431 TIMING: 2879600 CPU: 8993.63, 0.0031066/step Wall: 8993.63, 0.0031066/step, 1.82979 hours remaining, 234.363281 MB of memory in use. ENERGY: 2879600 3940.4811 20353.1261 14477.6155 256.2032 -204170.6989 3406.3857 0.0000 0.0000 51977.1526 -109759.7345 298.7134 -161736.8871 -109393.5243 298.0193 306.7106 337.9762 761106.6660 3.3565 3.3781 PRESSURE: 2879800 -114.804 152.04 -93.1652 152.04 22.5865 -116.823 -93.1651 -116.822 47.7764 GPRESSURE: 2879800 -73.2682 97.1034 -29.063 145.138 160.317 -79.4929 -94.1234 -199.656 -47.1432 PRESSAVG: 2879800 21.1407 -24.1045 15.1701 -24.1045 -14.7018 24.1449 15.1701 24.145 5.18526 GPRESSAVG: 2879800 21.3081 -21.2053 15.0171 -24.1493 -13.704 25.7856 15.2311 21.1437 4.64963 TIMING: 2879800 CPU: 8994.26, 0.003123/step Wall: 8994.26, 0.003123/step, 1.83927 hours remaining, 234.363281 MB of memory in use. ENERGY: 2879800 4032.8304 20366.0228 14414.5996 249.1841 -203319.0026 2757.1176 0.0000 0.0000 51989.9186 -109509.3295 298.7868 -161499.2481 -109144.9558 298.9186 -14.8137 13.3017 762045.2520 3.8747 4.0846 PRESSURE: 2880000 -549.881 -265.474 -126.008 -265.473 -209.384 -40.0436 -126.008 -40.0439 -218.755 GPRESSURE: 2880000 -446.552 -177.329 -141.001 -187.645 -242.138 -119.492 -73.0806 92.9698 -195.113 PRESSAVG: 2880000 -38.7798 -11.4778 26.6685 -11.4778 -10.8283 -23.3249 26.6685 -23.3249 -22.6067 GPRESSAVG: 2880000 -38.7586 -12.0561 29.152 -10.4665 -12.3013 -22.6942 26.1433 -19.7466 -21.2353 TIMING: 2880000 CPU: 8994.88, 0.00310732/step Wall: 8994.88, 0.00310732/step, 1.82986 hours remaining, 234.363281 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: 2880000 4049.5430 20623.4535 14407.2415 251.9151 -203393.2375 2583.5853 0.0000 0.0000 52014.3578 -109463.1412 298.9272 -161477.4990 -109115.4294 299.3566 -326.0067 -294.6010 762926.6007 -24.0716 -24.0984 PRESSURE: 2880200 133.401 -109.79 108.706 -109.791 38.8195 -111.052 108.706 -111.052 -181.836 GPRESSURE: 2880200 171.159 -85.4531 105.687 -114.052 57.1858 -139.638 33.5129 -54.7955 -145.711 PRESSAVG: 2880200 13.8019 21.4497 15.5064 21.4497 -32.1573 -47.3604 15.5064 -47.3605 6.62884 GPRESSAVG: 2880200 14.6038 21.8979 12.7651 20.8516 -31.6723 -47.779 14.5327 -48.4427 5.88268 TIMING: 2880200 CPU: 8995.5, 0.00310367/step Wall: 8995.5, 0.00310367/step, 1.82754 hours remaining, 234.363281 MB of memory in use. ENERGY: 2880200 4037.8493 20592.9932 14454.5596 240.8103 -203784.2515 2784.2952 0.0000 0.0000 52001.1821 -109672.5618 298.8515 -161673.7439 -109318.6462 298.8540 -3.2050 27.5448 760962.3572 -3.9089 -3.7286 LDB: ============= START OF LOAD BALANCING ============== 9007.98 LDB: ============== END OF LOAD BALANCING =============== 9007.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9007.98 LDB: ============= START OF LOAD BALANCING ============== 9008.29 LDB: Largest compute 7030 load 0.031153 is 16.0% of average load 0.195137 LDB: Average compute 0.004367 is 2.2% of average load 0.195137 LDB: TIME 9008.3 LOAD: AVG 0.195137 MAX 0.217631 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.109 MB LDB: TIME 9008.3 LOAD: AVG 0.195137 MAX 0.217631 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.109 MB LDB: TIME 9008.3 LOAD: AVG 0.195137 MAX 0.217631 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.109 MB LDB: ============== END OF LOAD BALANCING =============== 9008.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9008.3 PRESSURE: 2880400 -190.252 27.4905 122.421 27.4908 -285.69 79.2419 122.421 79.2411 -231.38 GPRESSURE: 2880400 -138.892 16.2927 74.2078 -111.578 -231.14 7.88437 68.5351 73.9584 -238.527 PRESSAVG: 2880400 -6.21166 -34.2055 33.9772 -34.2055 39.5924 -22.8363 33.9772 -22.8363 -9.90635 GPRESSAVG: 2880400 -7.10154 -34.2121 34.4909 -34.6936 38.7903 -23.5773 33.0588 -24.0216 -8.9029 TIMING: 2880400 CPU: 8996.14, 0.0031789/step Wall: 8996.14, 0.0031789/step, 1.87167 hours remaining, 234.820312 MB of memory in use. ENERGY: 2880400 3982.0506 20582.2960 14402.3235 257.2719 -203359.6074 2507.2606 0.0000 0.0000 52046.5507 -109581.8542 299.1122 -161628.4048 -109222.0653 298.9513 -235.7741 -202.8531 761816.3851 7.8248 7.5953 PRESSURE: 2880600 26.117 68.312 -235.089 68.3127 -10.1383 44.4316 -235.089 44.4316 213.598 GPRESSURE: 2880600 14.0439 37.9676 -195.082 -30.4234 115.504 134.764 -137.155 -77.8814 194.986 PRESSAVG: 2880600 -28.6553 -2.60414 -9.64113 -2.60407 9.63945 4.59291 -9.64113 4.59303 4.55375 GPRESSAVG: 2880600 -28.8413 -3.87382 -8.15314 -3.5564 9.94427 5.77464 -8.14071 4.03716 4.37987 TIMING: 2880600 CPU: 8996.76, 0.00310912/step Wall: 8996.76, 0.00310912/step, 1.83041 hours remaining, 234.820312 MB of memory in use. ENERGY: 2880600 4055.0993 20503.2158 14510.8480 259.9585 -203651.1342 2763.5294 0.0000 0.0000 52087.6296 -109470.8536 299.3483 -161558.4832 -109108.8276 298.9228 76.5254 108.1780 761907.0920 -4.8207 -4.8391 PRESSURE: 2880800 -437.496 66.307 -154.824 66.3069 -183.673 -141.472 -154.824 -141.472 -248.991 GPRESSURE: 2880800 -379.878 51.6227 -56.9858 35.4155 -166.222 -72.5557 -165.355 -101.983 -254.562 PRESSAVG: 2880800 -35.4845 2.38779 13.5868 2.38771 56.6356 10.6299 13.5868 10.63 -16.9797 GPRESSAVG: 2880800 -35.1913 3.977 12.8672 4.31532 56.476 11.1365 15.3456 11.1588 -17.0187 TIMING: 2880800 CPU: 8997.38, 0.00311912/step Wall: 8997.38, 0.00311912/step, 1.83612 hours remaining, 234.820312 MB of memory in use. ENERGY: 2880800 4006.4996 20585.4661 14415.5927 278.9337 -203185.9363 2553.9163 0.0000 0.0000 51927.2408 -109418.2871 298.4266 -161345.5279 -109054.0258 298.8382 -290.0535 -266.8875 762391.5918 1.3905 1.4220 PRESSURE: 2881000 -84.6483 61.9276 89.5541 61.9275 135.637 -31.8512 89.5545 -31.8515 -70.8905 GPRESSURE: 2881000 59.5481 -32.4757 114.747 -39.9826 146.938 148.108 209.06 -100.939 -136.929 PRESSAVG: 2881000 -25.8153 -0.0796307 9.42111 -0.0795619 34.9997 21.2056 9.42107 21.2056 23.0025 GPRESSAVG: 2881000 -25.8985 -0.9132 10.3454 -1.69089 35.9426 20.3628 8.50236 21.2912 22.1918 TIMING: 2881000 CPU: 8998.01, 0.0031155/step Wall: 8998.01, 0.0031155/step, 1.83382 hours remaining, 234.820312 MB of memory in use. ENERGY: 2881000 3980.5404 20499.8313 14519.3772 245.1263 -203281.8984 2682.0367 0.0000 0.0000 52019.2912 -109335.6954 298.9556 -161354.9865 -108976.0222 299.2240 -6.6340 23.1857 762329.0644 10.7290 10.7453 PRESSURE: 2881200 82.656 104.068 186.327 104.068 -31.906 31.8949 186.327 31.8947 -145.027 GPRESSURE: 2881200 122.391 88.1533 124.144 2.78011 -28.9893 -19.3499 138.578 25.672 -84.0296 PRESSAVG: 2881200 -16.6169 25.7438 25.3412 25.7438 16.4353 16.861 25.3412 16.8611 -6.2635 GPRESSAVG: 2881200 -17.3846 24.9287 23.53 26.6692 16.3287 16.7339 25.1274 17.8051 -5.1007 TIMING: 2881200 CPU: 8998.63, 0.00311501/step Wall: 8998.63, 0.00311501/step, 1.83336 hours remaining, 234.820312 MB of memory in use. ENERGY: 2881200 3939.8956 20407.5719 14454.9245 261.2108 -203444.5577 2770.0203 0.0000 0.0000 52000.2324 -109610.7022 298.8461 -161610.9346 -109248.3986 298.8275 -31.4255 3.1241 763602.0864 -2.1484 -2.0522 PRESSURE: 2881400 -62.7211 62.746 28.3305 62.7464 31.7484 -9.4517 28.3307 -9.45149 175.9 GPRESSURE: 2881400 -39.8399 94.6327 -13.3674 -21.7844 97.0911 23.3913 84.2356 -7.83368 177.063 PRESSAVG: 2881400 -9.95221 31.913 -5.19122 31.9129 -3.92077 47.3578 -5.19119 47.3579 15.0748 GPRESSAVG: 2881400 -9.56902 34.3753 -5.74259 31.6086 -4.534 48.7439 -4.67002 45.3716 14.5581 TIMING: 2881400 CPU: 8999.25, 0.00311348/step Wall: 8999.25, 0.00311348/step, 1.83228 hours remaining, 234.820312 MB of memory in use. ENERGY: 2881400 3829.2907 20361.6968 14466.2126 259.5273 -202973.2840 2513.4066 0.0000 0.0000 52087.7569 -109455.3931 299.3491 -161543.1500 -109083.6531 298.8370 48.3090 78.1047 763215.4103 0.4006 0.1517 PRESSURE: 2881600 -41.4962 63.96 32.6936 63.9599 -13.1786 69.6182 32.6936 69.6178 14.8732 GPRESSURE: 2881600 -10.4277 95.8115 30.0479 14.5061 -1.43372 96.9886 -14.6866 56.985 44.9776 PRESSAVG: 2881600 -34.1955 -56.471 -20.9669 -56.471 15.6649 29.3555 -20.9668 29.3555 -9.06349 GPRESSAVG: 2881600 -35.7389 -57.7858 -20.6713 -54.8977 16.1248 28.928 -20.2316 29.837 -8.38929 TIMING: 2881600 CPU: 8999.88, 0.00312838/step Wall: 8999.88, 0.00312838/step, 1.84088 hours remaining, 234.820312 MB of memory in use. ENERGY: 2881600 4000.5583 20331.2787 14449.3799 247.4405 -203258.4239 2671.3623 0.0000 0.0000 51967.9194 -109590.4848 298.6603 -161558.4042 -109235.0902 298.6687 -13.2672 11.0387 764597.5528 -9.1981 -9.3345 PRESSURE: 2881800 194.557 79.1378 -69.1587 79.1373 -23.8555 24.9569 -69.1577 24.9564 -51.7508 GPRESSURE: 2881800 232.649 112.323 -7.37358 46.1361 -1.45896 -13.9113 -124.295 58.1433 -23.254 PRESSAVG: 2881800 3.60505 -35.0192 15.3919 -35.0192 0.140769 -18.8242 15.3919 -18.8242 9.06088 GPRESSAVG: 2881800 6.45262 -35.2112 16.4573 -36.7723 -0.894735 -18.5347 13.4818 -20.2555 6.88423 TIMING: 2881800 CPU: 9000.5, 0.00310497/step Wall: 9000.5, 0.00310497/step, 1.82693 hours remaining, 234.820312 MB of memory in use. ENERGY: 2881800 4006.2070 20444.2555 14482.0004 253.6062 -203719.7717 2908.3453 0.0000 0.0000 52049.6522 -109575.7050 299.1301 -161625.3572 -109209.4394 298.6462 39.6504 69.3120 762216.9047 4.2689 4.1474 PRESSURE: 2882000 -301.922 64.1242 -2.70955 64.1249 -378.443 73.5347 -2.70955 73.5351 -207.816 GPRESSURE: 2882000 -411.561 92.3176 85.6764 15.1581 -267.337 99.8892 -25.7784 30.3836 -108.606 PRESSAVG: 2882000 23.2755 -36.3965 20.8542 -36.3966 -42.2544 58.348 20.8541 58.3481 -1.46897 GPRESSAVG: 2882000 20.5228 -36.9169 19.7906 -36.2919 -40.8828 58.1189 22.9466 58.4612 0.429417 TIMING: 2882000 CPU: 9001.12, 0.00311559/step Wall: 9001.12, 0.00311559/step, 1.833 hours remaining, 234.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2882000 4002.0336 20342.0523 14404.1716 243.7002 -203124.6311 2525.1039 0.0000 0.0000 51885.7506 -109721.8189 298.1881 -161607.5695 -109367.6060 298.6532 -296.0605 -262.5014 762399.9484 -6.8160 -6.6435 PRESSURE: 2882200 -267.093 77.5974 23.5587 77.5969 -216.971 58.1728 23.5581 58.1715 -664.63 GPRESSURE: 2882200 -249.586 18.2063 35.0134 -42.1087 -132.013 59.2572 40.5669 77.9879 -675.812 PRESSAVG: 2882200 -27.163 -57.1648 5.84192 -57.1648 4.22066 9.50875 5.84194 9.50878 -6.35705 GPRESSAVG: 2882200 -26.2033 -57.5251 6.76712 -55.8823 3.46922 9.26484 3.92625 8.31199 -6.69496 TIMING: 2882200 CPU: 9001.75, 0.00313305/step Wall: 9001.75, 0.00313305/step, 1.8431 hours remaining, 234.820312 MB of memory in use. ENERGY: 2882200 4037.8265 20445.8859 14435.3544 241.2399 -203241.1780 2604.3605 0.0000 0.0000 51695.4914 -109781.0193 297.0947 -161476.5107 -109426.1426 298.0882 -382.8982 -352.4699 763760.5679 -9.7665 -9.8097 PRESSURE: 2882400 129.413 -211.599 131.364 -211.599 66.8569 -161.956 131.365 -161.956 -250.146 GPRESSURE: 2882400 171.341 -105.732 131.992 -229.824 67.5961 -199.914 222.537 -242.94 -226.067 PRESSAVG: 2882400 -37.8777 -46.5342 -20.7983 -46.5342 19.6181 28.5252 -20.7983 28.5252 -15.8836 GPRESSAVG: 2882400 -38.1638 -46.463 -19.9172 -47.4115 19.2901 27.8851 -21.2849 29.6797 -15.9248 TIMING: 2882400 CPU: 9002.37, 0.00312112/step Wall: 9002.37, 0.00312112/step, 1.83591 hours remaining, 234.820312 MB of memory in use. ENERGY: 2882400 3978.9866 20401.9110 14362.7836 265.9260 -203248.1359 2639.6579 0.0000 0.0000 51976.3896 -109622.4812 298.7090 -161598.8708 -109254.5207 298.4841 -17.9586 4.2901 762190.6465 -11.3811 -11.5995 PRESSURE: 2882600 -270.526 6.70494 29.0083 6.70499 -286.413 -31.3634 29.0081 -31.3638 157.643 GPRESSURE: 2882600 -301.655 -131.892 51.2563 113.197 -273.24 -156.546 -72.6755 44.9491 229.319 PRESSAVG: 2882600 -87.2793 -17.6592 30.7048 -17.6592 28.3247 -16.272 30.7048 -16.272 -12.4481 GPRESSAVG: 2882600 -87.0935 -16.5636 30.4524 -17.4176 28.1986 -15.5437 31.4591 -15.7538 -12.8069 TIMING: 2882600 CPU: 9003, 0.00311996/step Wall: 9003, 0.00311996/step, 1.83506 hours remaining, 234.820312 MB of memory in use. ENERGY: 2882600 3931.9300 20550.2805 14362.9519 256.3429 -202843.5074 2280.9074 0.0000 0.0000 52046.4390 -109414.6558 299.1116 -161461.0948 -109050.7766 298.9569 -133.0987 -115.1922 763692.0271 -23.8009 -23.9006 PRESSURE: 2882800 -179.47 -172.206 158.442 -172.205 8.92463 -185.005 158.441 -185.003 -172.617 GPRESSURE: 2882800 -90.6684 -102.224 32.6499 -115.41 -35.6919 -47.3507 211.278 -201.396 -143.376 PRESSAVG: 2882800 -30.1027 13.1995 46.6882 13.1996 49.0222 -34.7806 46.6882 -34.7806 9.5887 GPRESSAVG: 2882800 -29.143 14.2268 45.8622 13.4984 47.4149 -35.1125 46.846 -33.1904 10.209 TIMING: 2882800 CPU: 9003.62, 0.00312372/step Wall: 9003.62, 0.00312372/step, 1.83709 hours remaining, 234.820312 MB of memory in use. ENERGY: 2882800 3976.3943 20510.3021 14318.5377 224.8659 -203006.5185 2588.2639 0.0000 0.0000 51840.1474 -109548.0073 297.9260 -161388.1547 -109184.7735 298.7927 -114.3875 -89.9121 763682.2622 9.5027 9.4936 PRESSURE: 2883000 -166.475 98.9702 238.258 98.9705 51.1347 -152.63 238.259 -152.63 46.9286 GPRESSURE: 2883000 -110.743 94.2498 96.5915 7.68979 59.7533 -71.9833 240.689 -189.986 80.1061 PRESSAVG: 2883000 -72.5299 32.3609 50.944 32.3609 72.3655 -49.7208 50.944 -49.7208 8.01564 GPRESSAVG: 2883000 -73.513 30.7921 50.1215 31.3674 73.2012 -49.0951 51.0658 -51.2529 8.18862 TIMING: 2883000 CPU: 9004.24, 0.00312069/step Wall: 9004.24, 0.00312069/step, 1.83514 hours remaining, 234.820312 MB of memory in use. ENERGY: 2883000 3989.5720 20653.3427 14416.9411 260.6304 -203402.1531 2882.6097 0.0000 0.0000 52017.1918 -109181.8653 298.9435 -161199.0571 -108819.8181 299.5044 -22.8038 9.7054 763934.4282 2.6171 2.6256 PRESSURE: 2883200 166.37 -138.14 14.486 -138.139 279.125 -19.7491 14.4868 -19.7484 -56.4381 GPRESSURE: 2883200 217.332 -162.484 43.7237 -104.433 310.773 -33.3909 18.1032 -44.1274 -48.7331 PRESSAVG: 2883200 -15.9975 -19.1965 29.763 -19.1965 24.1128 -23.3475 29.763 -23.3475 -12.0651 GPRESSAVG: 2883200 -15.7778 -18.5929 29.5186 -18.918 24.4843 -23.8271 28.5557 -21.5366 -12.5613 TIMING: 2883200 CPU: 9004.87, 0.00311947/step Wall: 9004.87, 0.00311947/step, 1.83425 hours remaining, 234.820312 MB of memory in use. ENERGY: 2883200 3983.6928 20581.6182 14442.2227 258.4810 -203293.7400 2800.3392 0.0000 0.0000 51938.7547 -109288.6314 298.4927 -161227.3860 -108927.6464 299.5345 129.6857 159.7906 763495.5861 -1.3166 -1.2849 PRESSURE: 2883400 -202.481 16.1951 141.992 16.1953 -272.16 -21.4724 141.992 -21.4727 174.913 GPRESSURE: 2883400 -158.311 68.0843 174.829 -26.7587 -284.469 1.77403 195.752 -23.5347 214.502 PRESSAVG: 2883400 -46.7796 30.9346 16.5133 30.9346 -10.3928 9.757 16.5134 9.757 -5.54729 GPRESSAVG: 2883400 -46.3512 31.3181 16.2214 31.0707 -11.0772 10.5414 18.0023 7.9746 -5.53099 TIMING: 2883400 CPU: 9005.49, 0.00312791/step Wall: 9005.49, 0.00312791/step, 1.83903 hours remaining, 234.820312 MB of memory in use. ENERGY: 2883400 3964.0690 20574.3887 14460.5965 247.2572 -202931.6549 2335.7507 0.0000 0.0000 52194.2125 -109155.3804 299.9609 -161349.5929 -108794.8239 299.4056 -99.9095 -76.0930 764164.8258 -20.9066 -20.9865 PRESSURE: 2883600 286.209 93.7812 12.9157 93.7814 210.188 52.057 12.9167 52.0554 75.7293 GPRESSURE: 2883600 268.52 0.886591 18.7068 170.781 323.337 62.9594 -114.667 64.6173 70.5055 PRESSAVG: 2883600 -2.84502 -11.2171 -46.1128 -11.217 -8.51346 58.0151 -46.1128 58.0151 4.50221 GPRESSAVG: 2883600 -4.42851 -12.0351 -44.9981 -9.9177 -6.69395 56.4886 -48.4597 58.9004 4.35457 TIMING: 2883600 CPU: 9006.12, 0.00311888/step Wall: 9006.12, 0.00311888/step, 1.83355 hours remaining, 234.820312 MB of memory in use. ENERGY: 2883600 3915.4760 20521.9087 14465.1427 260.3148 -202985.9661 2516.2852 0.0000 0.0000 51840.6142 -109466.2244 297.9287 -161306.8387 -109111.8707 299.4709 190.7089 220.7877 762549.6149 -2.2854 -2.2560 PRESSURE: 2883800 -154.805 -198.453 -46.0773 -198.454 -56.477 -18.9655 -46.0766 -18.9654 -608.919 GPRESSURE: 2883800 -181.441 -94.704 102.616 -121.005 30.3441 0.999744 -172.567 41.1576 -557.12 PRESSAVG: 2883800 2.25818 -32.1005 -28.4493 -32.1004 19.1215 9.99686 -28.4492 9.99677 -5.36861 GPRESSAVG: 2883800 3.31372 -32.2408 -28.1715 -32.7043 16.762 12.4342 -28.1968 11.2782 -4.33441 TIMING: 2883800 CPU: 9006.74, 0.00311584/step Wall: 9006.74, 0.00311584/step, 1.83159 hours remaining, 234.820312 MB of memory in use. ENERGY: 2883800 4051.6475 20429.0401 14349.3891 232.7972 -203191.6402 2544.0494 0.0000 0.0000 52091.9403 -109492.7766 299.3731 -161584.7169 -109124.0898 298.6929 -273.4004 -236.0724 762941.6903 5.3370 5.2471 PRESSURE: 2884000 16.3013 -130.481 -25.5121 -130.481 117.11 135.204 -25.5125 135.204 -151.796 GPRESSURE: 2884000 39.2603 -100.89 3.8534 16.2611 155.933 186.172 -26.9972 77.7601 -133.067 PRESSAVG: 2884000 -14.7026 -18.2661 -32.4525 -18.2661 45.5409 53.9643 -32.4525 53.9644 -2.90929 GPRESSAVG: 2884000 -14.8812 -17.6634 -33.3318 -18.8675 45.9927 54.3303 -31.3639 50.2966 -3.93935 TIMING: 2884000 CPU: 9007.36, 0.00311022/step Wall: 9007.36, 0.00311022/step, 1.82812 hours remaining, 234.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2884000 3988.1696 20469.4884 14441.6924 228.7639 -203365.7669 2649.4758 0.0000 0.0000 52083.8488 -109504.3279 299.3266 -161588.1768 -109148.0475 299.1120 -6.1282 20.7089 761367.3109 9.3097 9.0574 PRESSURE: 2884200 -178.271 41.893 19.4842 41.8921 -145.67 -16.8552 19.4842 -16.8546 -246.402 GPRESSURE: 2884200 -65.8657 44.1718 78.1843 52.3167 -173.646 52.8822 -76.6806 -20.8624 -239.353 PRESSAVG: 2884200 -36.7863 21.7015 -24.611 21.7015 40.9752 50.0388 -24.6111 50.0388 18.4141 GPRESSAVG: 2884200 -36.4171 21.5693 -22.9829 21.6542 40.9543 47.4543 -26.6862 53.1253 18.1347 TIMING: 2884200 CPU: 9007.99, 0.00311533/step Wall: 9007.99, 0.00311533/step, 1.83095 hours remaining, 234.820312 MB of memory in use. ENERGY: 2884200 4009.2919 20363.5748 14488.4920 236.0054 -203031.5695 2368.1983 0.0000 0.0000 52068.1374 -109497.8697 299.2363 -161566.0071 -109135.6739 298.3289 -190.1144 -159.6213 762425.3713 7.5343 7.5573 LDB: ============= START OF LOAD BALANCING ============== 9020.47 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9020.47 LDB: =============== DONE WITH MIGRATION ================ 9020.47 LDB: ============= START OF LOAD BALANCING ============== 9020.78 LDB: Largest compute 7007 load 0.028365 is 14.5% of average load 0.195174 LDB: Average compute 0.004363 is 2.2% of average load 0.195174 LDB: TIME 9020.78 LOAD: AVG 0.195174 MAX 0.215908 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.27 MB LDB: TIME 9020.78 LOAD: AVG 0.195174 MAX 0.215908 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.273 MB LDB: TIME 9020.78 LOAD: AVG 0.195174 MAX 0.215908 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.273 MB LDB: ============== END OF LOAD BALANCING =============== 9020.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9020.79 PRESSURE: 2884400 -186.933 170.119 274.282 170.118 211.085 102.274 274.282 102.274 -10.4761 GPRESSURE: 2884400 -114.803 178.388 217.764 70.6878 178.196 77.2846 285.446 143.422 25.2397 PRESSAVG: 2884400 0.26304 -15.9236 23.4581 -15.9237 -48.4564 -9.68463 23.458 -9.68466 12.6569 GPRESSAVG: 2884400 0.443848 -15.9737 21.0872 -15.7648 -48.0144 -7.82314 24.1363 -11.6286 12.1878 TIMING: 2884400 CPU: 9008.63, 0.00319312/step Wall: 9008.63, 0.00319312/step, 1.87649 hours remaining, 234.242188 MB of memory in use. ENERGY: 2884400 3987.8150 20510.0824 14461.8216 233.4565 -203506.4195 2991.5756 0.0000 0.0000 51621.8725 -109699.7959 296.6716 -161321.6684 -109342.9672 297.8703 4.5587 29.5442 762156.4969 -11.8455 -11.7942 PRESSURE: 2884600 -81.3016 49.933 -114.989 49.9322 -118.559 -20.17 -114.989 -20.1695 204.075 GPRESSURE: 2884600 -39.4972 17.4826 -175.259 136.847 -68.7006 -66.2019 55.4101 63.4386 199.503 PRESSAVG: 2884600 20.7324 4.01675 26.0221 4.01678 -8.44969 -26.7767 26.0221 -26.7766 -7.28445 GPRESSAVG: 2884600 20.2212 3.29407 25.4747 6.17056 -8.93464 -27.4851 29.324 -25.7522 -6.41701 TIMING: 2884600 CPU: 9009.25, 0.00312793/step Wall: 9009.25, 0.00312793/step, 1.83801 hours remaining, 234.441406 MB of memory in use. ENERGY: 2884600 3945.8941 20402.0249 14383.3619 247.9741 -202741.9384 2206.5635 0.0000 0.0000 51840.8950 -109715.2248 297.9303 -161556.1198 -109359.6025 298.1324 1.4048 30.4351 760677.4208 1.6661 1.6232 PRESSURE: 2884800 382.165 -68.7137 189.415 -68.7144 405.733 111.043 189.415 111.044 -392.356 GPRESSURE: 2884800 383.277 -170.675 133.387 -96.7337 428.411 86.7173 64.1272 172.353 -338.207 PRESSAVG: 2884800 -52.8178 -57.732 -21.6901 -57.732 32.5302 -51.729 -21.6901 -51.729 -18.8812 GPRESSAVG: 2884800 -53.2493 -56.1226 -18.5556 -59.3041 32.9037 -52.4591 -25.5726 -50.6271 -19.1291 TIMING: 2884800 CPU: 9009.88, 0.00313502/step Wall: 9009.88, 0.00313502/step, 1.842 hours remaining, 234.441406 MB of memory in use. ENERGY: 2884800 4027.9722 20480.6547 14428.6637 235.8541 -203538.8044 2690.8429 0.0000 0.0000 51894.0336 -109780.7833 298.2357 -161674.8169 -109418.7421 298.6149 131.8473 157.8269 760260.8685 -13.0563 -13.1582 PRESSURE: 2885000 -54.8829 122.052 102.924 122.053 64.7979 -134.844 102.924 -134.842 15.1209 GPRESSURE: 2885000 -90.9261 110.942 107.181 -72.0655 70.3366 -90.6204 137.003 -44.1237 110.23 PRESSAVG: 2885000 5.20957 48.8682 53.926 48.8683 29.7258 5.37657 53.926 5.37665 2.12193 GPRESSAVG: 2885000 4.96486 47.9264 52.5585 46.6715 28.7838 6.06807 56.8944 3.05046 2.68154 TIMING: 2885000 CPU: 9010.51, 0.00314235/step Wall: 9010.51, 0.00314235/step, 1.84613 hours remaining, 234.441406 MB of memory in use. ENERGY: 2885000 3931.1464 20380.8096 14375.3283 245.1760 -203248.0016 2656.6083 0.0000 0.0000 51899.8849 -109759.0480 298.2694 -161658.9330 -109394.9849 298.1390 8.3453 29.8802 761242.2405 12.3524 12.1434 PRESSURE: 2885200 -80.3102 -65.1417 33.1513 -65.1419 14.5021 56.0068 33.1504 56.0069 245.093 GPRESSURE: 2885200 82.3552 -82.8738 24.4283 -29.9896 -51.6121 -25.1042 178.889 -31.1801 261.201 PRESSAVG: 2885200 68.8415 -8.63488 68.5016 -8.63489 -12.5768 -5.21273 68.5016 -5.2127 3.01913 GPRESSAVG: 2885200 69.7439 -9.50894 70.5034 -7.73262 -12.047 -3.51942 65.6787 -5.95966 1.99946 TIMING: 2885200 CPU: 9011.13, 0.00313402/step Wall: 9011.13, 0.00313402/step, 1.84106 hours remaining, 234.441406 MB of memory in use. ENERGY: 2885200 3955.3125 20569.1262 14418.7857 276.2084 -203080.6325 2545.7673 0.0000 0.0000 51686.1601 -109629.2723 297.0411 -161315.4323 -109273.4147 298.4034 59.7616 97.3148 761354.1985 19.7613 19.8988 PRESSURE: 2885400 206.846 -150.113 -72.6711 -150.113 190.608 -35.7829 -72.6716 -35.7832 -129.674 GPRESSURE: 2885400 203.405 -193 -57.2832 -129.271 198.908 5.48451 26.7353 6.07434 -57.4625 PRESSAVG: 2885400 -17.8341 -20.7603 0.85784 -20.7603 -3.32355 -7.72976 0.857855 -7.72983 -8.73702 GPRESSAVG: 2885400 -18.5102 -20.4717 -0.34772 -20.077 -3.21462 -9.48113 4.31544 -8.1202 -8.58677 TIMING: 2885400 CPU: 9011.76, 0.00312077/step Wall: 9011.76, 0.00312077/step, 1.83311 hours remaining, 234.441406 MB of memory in use. ENERGY: 2885400 3903.9706 20383.0407 14444.2613 253.6080 -203366.4362 2817.4203 0.0000 0.0000 52050.3352 -109513.8001 299.1340 -161564.1353 -109150.7680 298.4467 89.2599 114.9502 760632.3913 -9.9649 -10.1039 PRESSURE: 2885600 -134.968 9.75872 210.314 9.75937 -207.641 14.1914 210.315 14.193 -12.4979 GPRESSURE: 2885600 -165.505 23.7745 242.854 20.5124 -188.517 24.8876 148.21 19.0643 84.5309 PRESSAVG: 2885600 0.572789 -27.4295 -44.5684 -27.4295 1.88764 -13.4676 -44.5685 -13.4675 -8.1925 GPRESSAVG: 2885600 0.600815 -27.9066 -42.6136 -26.3835 0.711677 -13.5721 -46.4103 -12.0252 -6.95983 TIMING: 2885600 CPU: 9012.38, 0.00313033/step Wall: 9012.38, 0.00313033/step, 1.83855 hours remaining, 234.441406 MB of memory in use. ENERGY: 2885600 3942.2316 20624.7764 14451.4866 223.1731 -202540.6745 2125.5308 0.0000 0.0000 51761.1308 -109412.3452 297.4719 -161173.4760 -109056.6490 298.8906 -118.3689 -89.8306 761536.9278 -1.9107 -1.8824 PRESSURE: 2885800 248.66 35.872 318.507 35.8722 90.7351 -42.5854 318.508 -42.5855 -328.266 GPRESSURE: 2885800 257.941 106.881 345.355 91.7741 117.718 -18.3067 200.55 -26.5334 -291.311 PRESSAVG: 2885800 16.6321 -6.74429 44.5957 -6.74426 -31.775 -33.5079 44.5958 -33.508 6.12822 GPRESSAVG: 2885800 17.2999 -6.9317 44.1754 -7.83525 -31.2206 -34.6551 43.5821 -32.0542 4.91915 TIMING: 2885800 CPU: 9013, 0.00310572/step Wall: 9013, 0.00310572/step, 1.82392 hours remaining, 234.441406 MB of memory in use. ENERGY: 2885800 3994.1853 20484.1535 14416.2005 236.6157 -202835.3082 2502.3520 0.0000 0.0000 51841.8372 -109359.9640 297.9358 -161201.8011 -109010.3302 298.8860 3.7098 28.1163 762087.6763 -3.0049 -3.0005 PRESSURE: 2886000 -63.9695 25.0717 71.4468 25.0713 -81.4354 -84.2053 71.4461 -84.2065 270.981 GPRESSURE: 2886000 -127.928 18.3361 108.689 58.0915 60.062 -121.078 131.581 -151.208 282.397 PRESSAVG: 2886000 -15.2004 33.9836 29.9161 33.9837 -5.73075 -29.6844 29.9161 -29.6844 10.6915 GPRESSAVG: 2886000 -16.4064 34.6762 28.8767 31.6383 -4.50237 -29.2115 30.0349 -31.6357 11.268 TIMING: 2886000 CPU: 9013.63, 0.00311607/step Wall: 9013.63, 0.00311607/step, 1.82982 hours remaining, 234.441406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2886000 3939.7477 20470.3698 14374.3665 260.9916 -203126.3290 2588.1746 0.0000 0.0000 52127.6250 -109365.0538 299.5782 -161492.6788 -108987.9793 298.8976 41.8587 71.5103 763135.5222 -3.4132 -3.2136 PRESSURE: 2886200 213.984 90.6467 -151.271 90.6465 54.0436 -148.976 -151.271 -148.977 16.3281 GPRESSURE: 2886200 242.323 29.2386 -97.5071 53.8757 127.562 -185.019 -105.751 -62.0797 0.370454 PRESSAVG: 2886200 -26.1664 2.47926 27.2376 2.47928 -10.1549 -45.8758 27.2376 -45.8758 13.9192 GPRESSAVG: 2886200 -26.1122 2.04025 27.9367 5.47841 -9.60906 -45.8854 29.0935 -44.5638 13.6182 TIMING: 2886200 CPU: 9014.25, 0.00311888/step Wall: 9014.25, 0.00311888/step, 1.8313 hours remaining, 234.441406 MB of memory in use. ENERGY: 2886200 3948.4749 20529.4434 14338.2812 236.9473 -203487.4854 2734.8359 0.0000 0.0000 52222.7604 -109476.7423 300.1249 -161699.5027 -109110.1663 298.9650 94.7851 123.4184 761601.3034 -7.4673 -7.3677 PRESSURE: 2886400 -85.6035 -77.3269 -121.411 -77.3271 -83.6174 -98.6842 -121.41 -98.6837 95.2358 GPRESSURE: 2886400 -144.183 -141.887 -78.6142 25.9755 54.9202 -20.389 -15.1957 -28.0501 100.677 PRESSAVG: 2886400 -9.51922 -7.2926 -63.5011 -7.29265 -1.51966 10.4294 -63.5011 10.4293 8.7641 GPRESSAVG: 2886400 -9.10729 -7.51097 -63.7734 -9.1753 -2.59447 12.0508 -62.6395 9.68589 8.99655 TIMING: 2886400 CPU: 9014.88, 0.0031321/step Wall: 9014.88, 0.0031321/step, 1.83889 hours remaining, 234.441406 MB of memory in use. ENERGY: 2886400 3971.5284 20448.1737 14390.1601 239.7089 -203353.2597 2703.8007 0.0000 0.0000 52295.3566 -109304.5313 300.5421 -161599.8879 -108928.3718 299.2858 -24.6617 3.8049 761405.1556 -0.7583 -0.9017 PRESSURE: 2886600 -390.584 -117.794 -204.612 -117.794 -377.236 -10.652 -204.612 -10.6523 184.976 GPRESSURE: 2886600 -275.664 -43.2037 -47.7544 -132.102 -353.714 -40.8416 -297.502 -38.9392 139.227 PRESSAVG: 2886600 -26.8471 -30.6504 -33.5842 -30.6505 -25.4795 -18.7396 -33.5842 -18.7396 2.03902 GPRESSAVG: 2886600 -26.4226 -30.6012 -33.4872 -30.6946 -25.0478 -20.0517 -36.2423 -18.5864 1.05565 TIMING: 2886600 CPU: 9015.5, 0.0031221/step Wall: 9015.5, 0.0031221/step, 1.83284 hours remaining, 234.441406 MB of memory in use. ENERGY: 2886600 4006.1476 20608.9407 14472.8917 232.5157 -202631.2239 2226.2072 0.0000 0.0000 51929.8171 -109154.7040 298.4414 -161084.5211 -108787.1483 299.6420 -194.2815 -163.3836 763202.0475 -16.7625 -16.8049 PRESSURE: 2886800 19.3277 -15.4902 -17.7023 -15.4907 239.343 -148.972 -17.7012 -148.972 -376.883 GPRESSURE: 2886800 130.137 9.41558 -2.47253 -120.99 178.316 -98.8663 -159.563 -48.384 -349.039 PRESSAVG: 2886800 12.168 -26.5689 -8.05314 -26.5688 6.36518 14.7188 -8.0532 14.7189 1.28458 GPRESSAVG: 2886800 12.4482 -24.7712 -9.671 -26.7001 5.94263 13.8535 -6.1114 16.5828 1.55013 TIMING: 2886800 CPU: 9016.13, 0.00311814/step Wall: 9016.13, 0.00311814/step, 1.83035 hours remaining, 234.441406 MB of memory in use. ENERGY: 2886800 4047.4568 20433.9836 14425.1913 246.9151 -203051.1563 2623.3558 0.0000 0.0000 52021.1427 -109253.1109 298.9662 -161274.2536 -108881.3624 299.6775 -39.4039 -13.5286 762190.8711 6.6059 6.6470 PRESSURE: 2887000 -66.0378 -84.9873 139.415 -84.987 -431.489 -23.0164 139.415 -23.0172 144.864 GPRESSURE: 2887000 -69.6341 6.32677 218.507 -7.685 -283.643 29.125 146.843 60.5033 72.2396 PRESSAVG: 2887000 4.38097 3.79409 35.3112 3.7941 0.219205 -35.7891 35.3113 -35.7893 -1.8102 GPRESSAVG: 2887000 4.35106 1.36443 37.3095 4.83765 0.416085 -33.1007 33.4408 -38.3985 -1.64882 TIMING: 2887000 CPU: 9016.75, 0.00311584/step Wall: 9016.75, 0.00311584/step, 1.82882 hours remaining, 234.441406 MB of memory in use. ENERGY: 2887000 4035.5686 20676.1937 14328.1807 250.9473 -203092.0979 2616.9663 0.0000 0.0000 51881.3163 -109302.9251 298.1626 -161184.2414 -108949.2243 299.5916 -117.5541 -93.6791 761787.6755 0.9300 1.0394 PRESSURE: 2887200 -68.6276 183.484 -261.108 183.484 -128.155 100.185 -261.108 100.185 -151.068 GPRESSURE: 2887200 -103.313 127.773 -207.583 231.549 -43.738 131.349 -22.6711 59.7426 -115.232 PRESSAVG: 2887200 15.0609 -10.5614 -51.9206 -10.5614 1.06174 40.9661 -51.9207 40.966 -4.16148 GPRESSAVG: 2887200 16.0468 -9.50528 -52.3093 -11.1522 0.352715 39.3732 -50.2774 41.6008 -4.0926 TIMING: 2887200 CPU: 9017.37, 0.00312954/step Wall: 9017.37, 0.00312954/step, 1.83669 hours remaining, 234.441406 MB of memory in use. ENERGY: 2887200 4038.9513 20719.9705 14384.8048 236.9495 -203373.0264 2630.4844 0.0000 0.0000 51927.7338 -109434.1321 298.4294 -161361.8659 -109073.8263 298.8914 -115.9502 -87.4275 761905.1073 3.9870 4.1023 PRESSURE: 2887400 158.101 -149.758 225.835 -149.759 203.06 -93.8568 225.836 -93.8565 306.72 GPRESSURE: 2887400 224.411 36.727 306.36 -219.614 194.34 -155.796 85.742 -39.8634 339.447 PRESSAVG: 2887400 30.0657 -12.7 -43.2992 -12.7001 3.99077 -44.7746 -43.2992 -44.7745 8.61289 GPRESSAVG: 2887400 30.3777 -13.1155 -44.2191 -13.0146 4.22455 -45.0935 -43.3751 -44.591 8.43905 TIMING: 2887400 CPU: 9018, 0.00313454/step Wall: 9018, 0.00313454/step, 1.83945 hours remaining, 234.441406 MB of memory in use. ENERGY: 2887400 3957.0216 20686.9667 14403.4095 253.1573 -203302.7739 2682.7013 0.0000 0.0000 52110.8110 -109208.7065 299.4815 -161319.5175 -108846.3430 299.2020 222.6268 252.7325 759292.9435 14.2231 14.3471 PRESSURE: 2887600 84.8082 97.4309 -74.3902 97.4309 334.656 -180.994 -74.3896 -180.992 513.578 GPRESSURE: 2887600 104.628 55.287 -81.9334 108.571 378.82 -128.426 -2.51339 -150.005 539.825 PRESSAVG: 2887600 -7.39964 -20.933 4.43802 -20.9329 56.5934 -11.3925 4.43804 -11.3925 -8.49437 GPRESSAVG: 2887600 -9.21686 -20.7714 3.79291 -21.8559 57.4168 -11.2769 2.13517 -10.5202 -6.94471 TIMING: 2887600 CPU: 9018.63, 0.00313219/step Wall: 9018.63, 0.00313219/step, 1.8379 hours remaining, 234.441406 MB of memory in use. ENERGY: 2887600 3916.4572 20556.3490 14463.3010 241.6628 -203342.0698 2800.5973 0.0000 0.0000 52157.5392 -109206.1633 299.7501 -161363.7025 -108840.6825 299.7602 311.0141 341.0907 759701.9444 13.5665 13.7518 PRESSURE: 2887800 54.3988 55.5074 82.8321 55.507 136.236 -140.757 82.8319 -140.755 158.105 GPRESSURE: 2887800 13.5882 135.357 145.074 79.3073 249.225 -52.6925 39.6204 -108.064 164.888 PRESSAVG: 2887800 15.7402 -24.8811 10.4372 -24.8811 -39.0711 40.7858 10.4371 40.7859 14.7947 GPRESSAVG: 2887800 16.7565 -23.4887 12.9947 -23.0086 -38.8818 41.9803 11.9205 40.6673 13.9589 TIMING: 2887800 CPU: 9019.25, 0.00312661/step Wall: 9019.25, 0.00312661/step, 1.83445 hours remaining, 234.441406 MB of memory in use. ENERGY: 2887800 3943.8105 20456.1378 14407.3351 227.9358 -203177.9954 2675.1826 0.0000 0.0000 52283.3449 -109184.2487 300.4731 -161467.5937 -108823.1642 299.2850 116.2467 142.5669 762315.0416 -2.8454 -2.7221 PRESSURE: 2888000 -282.164 74.8092 -281.644 74.8087 -80.603 101.109 -281.644 101.11 -50.0468 GPRESSURE: 2888000 -233.164 -16.8763 -335.816 57.7033 -71.4023 94.1909 -204.409 61.4852 -16.6535 PRESSAVG: 2888000 -35.896 -19.8858 -17.7495 -19.8858 6.53182 -6.94151 -17.7495 -6.94153 -16.5879 GPRESSAVG: 2888000 -36.4844 -20.8146 -18.8837 -17.6594 7.98736 -5.83611 -17.3465 -9.42102 -16.6962 TIMING: 2888000 CPU: 9019.88, 0.00312393/step Wall: 9019.88, 0.00312393/step, 1.8327 hours remaining, 234.441406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2888000 3930.0942 20554.3172 14337.9181 244.7251 -203116.2065 2712.4385 0.0000 0.0000 52226.9563 -109109.7570 300.1490 -161336.7133 -108744.6043 299.7731 -137.6046 -107.0733 762353.8689 -15.3174 -15.0644 PRESSURE: 2888200 71.5409 60.1614 -77.047 60.1612 246.437 6.22463 -77.0478 6.22504 -8.69554 GPRESSURE: 2888200 139.71 176.133 -73.2478 88.9703 195.501 11.7295 62.2061 -45.0319 41.6816 PRESSAVG: 2888200 -62.5535 -39.431 14.6881 -39.431 76.1599 -6.40712 14.6881 -6.40709 -3.02476 GPRESSAVG: 2888200 -62.3745 -39.3758 14.0952 -43.2911 75.6749 -7.92886 13.626 -4.04994 -2.25726 TIMING: 2888200 CPU: 9020.51, 0.00313328/step Wall: 9020.51, 0.00313327/step, 1.83801 hours remaining, 234.441406 MB of memory in use. ENERGY: 2888200 3972.6996 20596.3271 14373.3913 230.1967 -202818.1227 2408.5071 0.0000 0.0000 52132.1182 -109104.8826 299.6040 -161237.0008 -108740.8914 299.7482 103.0941 125.6310 763012.2652 3.5272 3.6810 LDB: ============= START OF LOAD BALANCING ============== 9032.99 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9032.99 LDB: =============== DONE WITH MIGRATION ================ 9032.99 LDB: ============= START OF LOAD BALANCING ============== 9033.3 LDB: Largest compute 7030 load 0.029355 is 15.0% of average load 0.195100 LDB: Average compute 0.004375 is 2.2% of average load 0.195100 LDB: TIME 9033.31 LOAD: AVG 0.1951 MAX 0.215045 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.312 MB LDB: TIME 9033.31 LOAD: AVG 0.1951 MAX 0.215045 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.406 MB LDB: TIME 9033.31 LOAD: AVG 0.1951 MAX 0.215045 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.406 MB LDB: ============== END OF LOAD BALANCING =============== 9033.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9033.31 PRESSURE: 2888400 -509.834 -8.94788 49.0586 -8.94841 5.03422 -354.603 49.0585 -354.603 105.23 GPRESSURE: 2888400 -434.529 -18.532 84.1852 78.6591 -11.1193 -301.421 99.1532 -289.325 135.459 PRESSAVG: 2888400 -62.6929 12.6441 18.8569 12.6441 29.8959 -3.73322 18.8569 -3.73325 9.92493 GPRESSAVG: 2888400 -61.4779 11.5318 19.6682 14.3809 29.238 -5.46523 20.7543 -2.83594 9.82468 TIMING: 2888400 CPU: 9021.15, 0.00321598/step Wall: 9021.15, 0.00321598/step, 1.88635 hours remaining, 234.253906 MB of memory in use. ENERGY: 2888400 4056.1122 20495.3821 14421.9853 241.4093 -202899.3111 2506.5252 0.0000 0.0000 52000.7111 -109177.1859 298.8488 -161177.8971 -108806.0069 299.6481 -133.1899 -103.3964 762388.9441 -7.6240 -7.4717 PRESSURE: 2888600 -1.26633 -46.1803 112.404 -46.1803 59.386 53.4135 112.403 53.4141 192.032 GPRESSURE: 2888600 -12.4789 -120.437 -2.64634 -45.4462 137.548 131.698 218.312 22.8433 215.89 PRESSAVG: 2888600 -12.4518 -18.7347 -32.7266 -18.7347 6.40372 8.27674 -32.7265 8.27671 -9.10263 GPRESSAVG: 2888600 -13.1767 -17.7051 -33.5207 -18.9875 6.73294 9.36813 -32.7728 6.59416 -9.3744 TIMING: 2888600 CPU: 9021.78, 0.0031375/step Wall: 9021.78, 0.0031375/step, 1.84014 hours remaining, 234.253906 MB of memory in use. ENERGY: 2888600 3935.3603 20624.3299 14420.3919 232.9326 -202593.7791 2036.4215 0.0000 0.0000 51975.5914 -109368.7516 298.7044 -161344.3430 -109009.3337 299.1121 83.3840 113.6530 760179.4407 -5.0502 -5.2727 PRESSURE: 2888800 7.01746 285.753 317.849 285.754 41.435 7.20637 317.848 7.20622 -431.058 GPRESSURE: 2888800 42.999 218.076 280.763 136.432 25.0989 -0.762549 279.615 6.31866 -355.446 PRESSAVG: 2888800 10.9547 -14.0786 30.3006 -14.0786 -37.7522 58.8012 30.3005 58.8013 5.32835 GPRESSAVG: 2888800 11.2618 -14.6645 30.2905 -15.1617 -37.7241 58.8658 29.8969 59.2822 5.43531 TIMING: 2888800 CPU: 9022.4, 0.00312164/step Wall: 9022.4, 0.00312164/step, 1.83067 hours remaining, 234.253906 MB of memory in use. ENERGY: 2888800 3993.5947 20642.7674 14342.8981 253.0271 -202817.7613 2460.4325 0.0000 0.0000 51729.3862 -109395.6552 297.2895 -161125.0414 -109045.9859 298.9963 -127.5351 -95.7826 760875.6248 -7.1564 -7.0090 PRESSURE: 2889000 -82.5667 -97.5003 -24.0799 -97.5005 -63.1333 -34.4021 -24.0789 -34.4027 699.41 GPRESSURE: 2889000 -11.6749 23.9504 74.0041 -44.0667 -70.4265 -83.1755 62.4259 -126.49 731.507 PRESSAVG: 2889000 15.5607 16.7734 28.3833 16.7735 -7.45919 22.6056 28.3833 22.6055 -6.82434 GPRESSAVG: 2889000 15.7355 16.9579 26.5067 17.6945 -8.61099 22.4314 27.0882 22.831 -6.31111 TIMING: 2889000 CPU: 9023.03, 0.00313321/step Wall: 9023.03, 0.00313321/step, 1.83728 hours remaining, 234.253906 MB of memory in use. ENERGY: 2889000 4005.3173 20400.9086 14299.1070 246.9975 -202788.6135 2419.3067 0.0000 0.0000 52073.4197 -109343.5567 299.2667 -161416.9764 -108989.0905 298.9326 184.5698 216.4687 760026.9436 0.4257 0.2711 PRESSURE: 2889200 -135.389 -157.132 -73.755 -157.132 98.9317 -92.2447 -73.7553 -92.2433 -12.7021 GPRESSURE: 2889200 -84.5212 -177.026 -18.3015 -125.267 73.631 -31.041 -96.7179 23.8162 55.9164 PRESSAVG: 2889200 34.2839 -6.80858 1.24897 -6.80855 -0.527582 54.2996 1.24901 54.2996 -2.93346 GPRESSAVG: 2889200 33.8284 -8.12683 1.4867 -5.28935 -0.931758 54.2231 3.17495 55.3051 -1.9097 TIMING: 2889200 CPU: 9023.66, 0.00314193/step Wall: 9023.66, 0.00314193/step, 1.84222 hours remaining, 234.253906 MB of memory in use. ENERGY: 2889200 3986.9132 20559.3611 14365.7470 244.7226 -203123.6233 2289.6841 0.0000 0.0000 52328.5247 -109348.6707 300.7328 -161677.1953 -108996.3124 299.8534 -16.3864 15.0087 759352.2841 10.2743 10.3290 PRESSURE: 2889400 -51.3829 96.9203 260.91 96.9204 -453.838 137.907 260.911 137.906 -134.098 GPRESSURE: 2889400 -41.7981 56.7226 199.087 117.368 -437.229 111.876 371.038 127.783 -75.8147 PRESSAVG: 2889400 8.76973 8.42866 -5.11217 8.42866 21.688 -5.19373 -5.11213 -5.19374 13.8098 GPRESSAVG: 2889400 8.80436 10.3615 -3.28741 7.8561 22.8008 -4.66086 -6.28094 -6.36907 13.0044 TIMING: 2889400 CPU: 9024.28, 0.00313086/step Wall: 9024.28, 0.00313086/step, 1.83556 hours remaining, 234.253906 MB of memory in use. ENERGY: 2889400 4015.5264 20724.5889 14328.1996 236.2784 -202722.0093 2078.5312 0.0000 0.0000 52133.5113 -109205.3736 299.6120 -161338.8848 -108849.5784 299.6721 -213.1063 -184.9474 759499.3282 14.7559 14.8699 PRESSURE: 2889600 -134.336 -10.6865 -26.7833 -10.6874 275.701 335.957 -26.7837 335.957 25.3107 GPRESSURE: 2889600 -69.3876 28.7007 -129.448 -41.942 189.678 287.189 -41.0346 168.983 105.959 PRESSAVG: 2889600 20.0915 45.6603 -6.85349 45.6603 -13.0613 42.2065 -6.85349 42.2066 10.9209 GPRESSAVG: 2889600 20.8154 46.3903 -6.99984 45.056 -13.6646 41.7947 -7.88982 41.0267 10.5624 TIMING: 2889600 CPU: 9024.91, 0.00313784/step Wall: 9024.91, 0.00313784/step, 1.83947 hours remaining, 234.253906 MB of memory in use. ENERGY: 2889600 4034.7744 20650.2996 14461.1665 250.5559 -203069.2222 2629.0661 0.0000 0.0000 51877.3619 -109165.9977 298.1399 -161043.3597 -108799.9104 299.6094 55.5587 75.4164 759521.1379 5.9837 5.9044 PRESSURE: 2889800 350.159 -3.48748 -65.2263 -3.48748 312.383 -30.4184 -65.2265 -30.4176 100.06 GPRESSURE: 2889800 353.475 22.0596 25.2355 64.3015 335.6 32.8681 -2.61074 -67.1066 137.118 PRESSAVG: 2889800 22.9983 6.2496 3.86684 6.24962 -9.88631 8.66835 3.86683 8.66833 -12.4594 GPRESSAVG: 2889800 22.6981 5.54421 2.98027 6.54208 -8.94045 8.00599 4.34597 9.38914 -12.9239 TIMING: 2889800 CPU: 9025.54, 0.0031704/step Wall: 9025.54, 0.0031704/step, 1.85838 hours remaining, 234.253906 MB of memory in use. ENERGY: 2889800 4012.5318 20610.1093 14352.7346 251.6498 -203213.3679 2746.5406 0.0000 0.0000 52289.3175 -108950.4842 300.5074 -161239.8018 -108586.2102 300.3674 254.2007 275.3976 759506.8205 0.2175 0.2779 PRESSURE: 2890000 186.981 299.082 -20.2085 299.082 28.3424 130.797 -20.2078 130.797 310.417 GPRESSURE: 2890000 186.697 348.473 93.0477 146.8 140.029 139.426 -34.605 177.002 306.243 PRESSAVG: 2890000 -17.3844 -23.0471 -20.7052 -23.047 36.6838 30.1726 -20.7052 30.1726 16.5225 GPRESSAVG: 2890000 -18.4936 -23.7435 -18.8548 -21.7072 37.1692 31.1035 -22.3137 29.9621 17.3397 TIMING: 2890000 CPU: 9026.17, 0.00313727/step Wall: 9026.17, 0.00313727/step, 1.83879 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2890000 4067.0953 20755.7161 14322.5388 242.2133 -203246.2258 2616.8621 0.0000 0.0000 52260.6121 -108981.1881 300.3425 -161241.8002 -108631.0201 300.6110 175.2470 210.9897 760817.9994 11.9407 12.0051 PRESSURE: 2890200 72.129 66.7226 219.071 66.723 -267.01 -208.552 219.071 -208.554 321.871 GPRESSURE: 2890200 -25.378 30.6479 287.049 -52.4913 -128.735 -126.239 161.602 -275.218 369.832 PRESSAVG: 2890200 -1.71476 17.7004 -10.0945 17.7005 5.77716 -49.4802 -10.0945 -49.4802 -5.57737 GPRESSAVG: 2890200 -0.916735 16.9908 -10.146 17.9191 5.92398 -48.5924 -9.50689 -48.9891 -6.80115 TIMING: 2890200 CPU: 9026.8, 0.0031394/step Wall: 9026.8, 0.0031394/step, 1.83986 hours remaining, 234.253906 MB of memory in use. ENERGY: 2890200 4054.0872 20661.5820 14399.6479 251.9613 -203102.6897 2517.5651 0.0000 0.0000 52468.8383 -108749.0078 301.5391 -161217.8461 -108383.7238 300.6649 42.3300 71.9061 760738.3104 -0.5050 -0.5980 PRESSURE: 2890400 -115.137 247.562 -72.51 247.563 3.36429 144.663 -72.5113 144.663 229.565 GPRESSURE: 2890400 -97.0263 182.139 -77.3329 213.744 60.6855 119.234 -128.04 138.346 252.054 PRESSAVG: 2890400 -5.46699 -14.274 -3.34279 -14.2739 -3.29284 49.4618 -3.3428 49.4618 16.7661 GPRESSAVG: 2890400 -6.28233 -16.565 -4.80221 -14.4345 -3.89004 47.6541 -2.32202 49.0536 17.3464 TIMING: 2890400 CPU: 9027.42, 0.00312526/step Wall: 9027.42, 0.00312526/step, 1.8314 hours remaining, 234.253906 MB of memory in use. ENERGY: 2890400 3965.8283 20547.1956 14383.9812 248.5867 -203053.1908 2692.4490 0.0000 0.0000 52370.4913 -108844.6587 300.9739 -161215.1500 -108480.9996 300.8183 39.2639 71.9043 761790.2966 2.6688 2.3913 PRESSURE: 2890600 -178.012 -116.914 -10.0255 -116.912 251.739 7.0337 -10.0253 7.03271 -24.4126 GPRESSURE: 2890600 -76.3882 -151.944 43.7129 -28.7995 228.222 -68.3015 -5.97155 0.47772 -42.6508 PRESSAVG: 2890600 53.6626 -21.3598 -7.87183 -21.3597 -37.9723 43.451 -7.87184 43.451 5.44422 GPRESSAVG: 2890600 55.1738 -18.5099 -6.09651 -23.0995 -38.7271 43.5942 -8.34392 41.7776 4.7906 TIMING: 2890600 CPU: 9028.05, 0.0031193/step Wall: 9028.05, 0.0031193/step, 1.82774 hours remaining, 234.253906 MB of memory in use. ENERGY: 2890600 3995.9910 20622.9389 14412.7749 271.1083 -202755.9101 2449.0490 0.0000 0.0000 52319.6971 -108684.3508 300.6820 -161004.0479 -108331.5526 300.5653 16.4383 36.3942 760414.3198 7.0449 7.0791 PRESSURE: 2890800 141.276 171.358 188.46 171.359 37.8459 408.541 188.461 408.541 124.309 GPRESSURE: 2890800 139.798 166.23 167.913 98.6454 122.534 420.042 55.8005 368.001 124.249 PRESSAVG: 2890800 -13.2628 -13.3715 -14.5785 -13.3715 3.02706 91.732 -14.5785 91.732 -4.47571 GPRESSAVG: 2890800 -13.7029 -14.8585 -15.9529 -12.2244 2.91482 93.8011 -14.9088 93.0157 -3.45142 TIMING: 2890800 CPU: 9028.67, 0.00312076/step Wall: 9028.67, 0.00312076/step, 1.82842 hours remaining, 234.253906 MB of memory in use. ENERGY: 2890800 4014.5203 20644.1231 14382.4039 247.8361 -202528.5840 2520.7950 0.0000 0.0000 52158.8147 -108560.0909 299.7574 -160718.9056 -108189.7834 300.9463 101.1436 128.8605 761643.2917 -4.9038 -4.7465 PRESSURE: 2891000 151.409 -49.1709 128.611 -49.172 -79.5299 -171.117 128.61 -171.117 -62.7583 GPRESSURE: 2891000 153.313 -26.984 38.1321 -60.0495 11.5021 -164.125 19.8561 -218.212 -92.2966 PRESSAVG: 2891000 29.2862 34.1883 -12.4427 34.1883 -2.77689 21.6815 -12.4428 21.6815 -0.685197 GPRESSAVG: 2891000 28.9918 35.7332 -12.5034 33.2688 -2.04064 19.8876 -12.2833 22.7897 -0.676569 TIMING: 2891000 CPU: 9029.3, 0.00313529/step Wall: 9029.3, 0.00313529/step, 1.83676 hours remaining, 234.253906 MB of memory in use. ENERGY: 2891000 4043.8220 20458.9659 14299.3789 253.7080 -202749.2630 2717.1158 0.0000 0.0000 52220.5409 -108755.7315 300.1122 -160976.2723 -108391.4400 300.7385 3.0402 24.1727 763030.3286 8.6081 8.7582 PRESSURE: 2891200 36.6852 51.8632 -197.89 51.8633 -304.948 -93.5557 -197.889 -93.5555 -72.9999 GPRESSURE: 2891200 74.1758 65.9698 -322.461 98.3098 -269.457 -169.148 -40.4194 -112.676 -47.9295 PRESSAVG: 2891200 17.8073 -37.761 -20.6677 -37.7611 -1.72072 -3.1775 -20.6676 -3.1775 5.26607 GPRESSAVG: 2891200 18.6456 -38.6383 -20.4535 -38.3688 -2.31958 -3.42593 -20.3468 -3.68732 4.94921 TIMING: 2891200 CPU: 9029.92, 0.00312618/step Wall: 9029.92, 0.00312618/step, 1.83124 hours remaining, 234.253906 MB of memory in use. ENERGY: 2891200 4091.6266 20583.7748 14352.6598 240.7363 -202881.6844 2537.1003 0.0000 0.0000 52234.1974 -108841.5892 300.1907 -161075.7866 -108471.0053 300.2799 -113.7542 -81.0702 762194.5764 7.1176 7.0918 PRESSURE: 2891400 -26.5753 -14.1538 54.1404 -14.1537 -228.549 -90.6659 54.1409 -90.6657 24.0467 GPRESSURE: 2891400 -101.486 61.9212 127.074 15.2571 -126.571 -150.067 3.00531 -265.477 93.1262 PRESSAVG: 2891400 8.80021 -0.470638 13.8862 -0.470675 -39.5906 -22.1691 13.8862 -22.1691 -0.876407 GPRESSAVG: 2891400 8.23532 -1.078 13.1638 0.709414 -38.6621 -22.8047 13.1496 -21.4043 -0.684814 TIMING: 2891400 CPU: 9030.55, 0.00312689/step Wall: 9030.55, 0.00312689/step, 1.83149 hours remaining, 234.253906 MB of memory in use. ENERGY: 2891400 4017.6403 20516.3839 14418.5083 249.7289 -202064.8432 2235.1038 0.0000 0.0000 52001.4435 -108626.0345 298.8530 -160627.4780 -108257.8824 300.2158 -77.0260 -44.9769 762774.2300 -10.5556 -10.3705 PRESSURE: 2891600 -177.179 -432.172 178.33 -432.172 -281.233 -68.8874 178.33 -68.8871 -10.2589 GPRESSURE: 2891600 -115.467 -420.277 199.549 -222.594 -246.292 -149.012 268.334 125.028 -18.6559 PRESSAVG: 2891600 31.5669 -25.7891 3.67309 -25.7892 -18.7558 24.4691 3.67312 24.4692 8.79041 GPRESSAVG: 2891600 30.8789 -23.8302 4.86345 -26.0488 -19.3924 24.8127 4.47043 24.2788 9.78173 TIMING: 2891600 CPU: 9031.17, 0.00312368/step Wall: 9031.17, 0.00312368/step, 1.82944 hours remaining, 234.253906 MB of memory in use. ENERGY: 2891600 3969.6326 20635.6082 14450.8239 243.4162 -202088.7111 2167.9233 0.0000 0.0000 51851.2120 -108770.0950 297.9896 -160621.3070 -108408.4206 299.8861 -156.2235 -126.8052 765794.2309 7.2005 7.0894 PRESSURE: 2891800 3.58132 -14.4264 -54.2863 -14.4262 -260.814 -98.3924 -54.286 -98.392 -532.598 GPRESSURE: 2891800 -40.2081 -69.9884 46.7408 -101.561 -194.394 -248.522 -109.394 -32.319 -472.567 PRESSAVG: 2891800 -50.9684 -41.0086 -6.82371 -41.0086 27.2143 39.4312 -6.8237 39.4313 10.8734 GPRESSAVG: 2891800 -50.5127 -42.8078 -7.04368 -40.7984 26.5337 41.1598 -8.64661 37.9527 10.8802 TIMING: 2891800 CPU: 9031.8, 0.00314948/step Wall: 9031.8, 0.00314948/step, 1.84437 hours remaining, 234.253906 MB of memory in use. ENERGY: 2891800 4006.2061 20556.3205 14349.9686 267.2790 -202552.1863 2282.4463 0.0000 0.0000 52347.9682 -108741.9977 300.8445 -161089.9659 -108384.6627 299.9734 -263.2770 -235.7230 764275.6839 -4.2936 -4.3662 PRESSURE: 2892000 25.6281 -76.0795 -51.184 -76.0793 -245.975 43.1892 -51.1844 43.1877 -124.808 GPRESSURE: 2892000 61.8977 -23.0322 -23.8021 -170.596 -189.38 73.441 -116.477 -8.22396 -145.406 PRESSAVG: 2892000 63.816 35.4803 19.5811 35.4803 -51.9046 19.329 19.5811 19.329 -15.9801 GPRESSAVG: 2892000 62.0124 35.8295 18.4616 35.0454 -49.0186 18.3826 20.6375 19.6726 -16.8134 TIMING: 2892000 CPU: 9032.43, 0.00314332/step Wall: 9032.43, 0.00314332/step, 1.84059 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2892000 4032.3167 20550.2479 14506.7361 244.9834 -202791.9765 2519.6340 0.0000 0.0000 52206.7471 -108731.3112 300.0329 -160938.0584 -108374.4969 300.4837 -115.0517 -90.9628 762905.2720 -1.3562 -1.2732 PRESSURE: 2892200 -13.5137 -157.078 120.871 -157.078 35.7413 37.7517 120.872 37.7511 37.3275 GPRESSURE: 2892200 4.68517 -82.1429 88.006 -35.6605 63.5943 50.747 198.48 129.468 65.0669 PRESSAVG: 2892200 30.8796 -20.9861 79.5728 -20.9861 -16.4562 31.5219 79.5728 31.5219 6.94901 GPRESSAVG: 2892200 33.0476 -20.5055 79.8899 -19.8411 -19.132 30.7416 79.1082 31.9425 7.44068 TIMING: 2892200 CPU: 9033.06, 0.00314348/step Wall: 9033.06, 0.00314348/step, 1.84051 hours remaining, 234.253906 MB of memory in use. ENERGY: 2892200 3988.9731 20595.2711 14424.2564 247.1709 -203187.6022 2773.2727 0.0000 0.0000 52148.0162 -109010.6418 299.6954 -161158.6580 -108648.9518 300.2091 19.8517 44.4488 764210.7875 7.1241 7.1187 LDB: ============= START OF LOAD BALANCING ============== 9045.54 LDB: ============== END OF LOAD BALANCING =============== 9045.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9045.55 LDB: ============= START OF LOAD BALANCING ============== 9045.86 LDB: Largest compute 7070 load 0.028301 is 14.5% of average load 0.195068 LDB: Average compute 0.004371 is 2.2% of average load 0.195068 LDB: TIME 9045.87 LOAD: AVG 0.195068 MAX 0.213862 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.188 MB LDB: TIME 9045.87 LOAD: AVG 0.195068 MAX 0.213862 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.188 MB LDB: TIME 9045.87 LOAD: AVG 0.195068 MAX 0.213862 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.188 MB LDB: ============== END OF LOAD BALANCING =============== 9045.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9045.87 PRESSURE: 2892400 59.6246 -79.9347 125.283 -79.9344 79.7112 -83.6703 125.284 -83.6696 147.358 GPRESSURE: 2892400 113.158 -83.4509 182.693 -49.5894 116.445 -73.7643 189.862 -72.141 145.78 PRESSAVG: 2892400 -25.4554 8.53459 31.2044 8.53462 38.7401 -28.3097 31.2045 -28.3097 -5.64043 GPRESSAVG: 2892400 -25.4993 9.29823 32.6619 7.38244 39.7433 -28.0629 31.2023 -26.4354 -6.17566 TIMING: 2892400 CPU: 9033.71, 0.0032311/step Wall: 9033.71, 0.0032311/step, 1.89163 hours remaining, 234.253906 MB of memory in use. ENERGY: 2892400 3937.2339 20519.5192 14398.3408 253.7664 -203118.9912 2811.4104 0.0000 0.0000 52174.3319 -109024.3886 299.8466 -161198.7205 -108662.1680 299.7100 95.5647 125.1278 762416.2966 2.5481 2.6894 PRESSURE: 2892600 -13.1704 123.77 -132.656 123.769 128.679 84.0744 -132.656 84.0742 -410.396 GPRESSURE: 2892600 31.1031 150.431 -150.086 0.479333 93.5754 12.4452 -46.3442 130.42 -343.813 PRESSAVG: 2892600 18.8024 11.1629 8.20173 11.1629 -7.66999 -43.16 8.20171 -43.16 1.7683 GPRESSAVG: 2892600 18.4664 11.5426 8.69255 10.0938 -7.95137 -42.4442 7.07108 -45.1062 2.25112 TIMING: 2892600 CPU: 9034.34, 0.00314759/step Wall: 9034.34, 0.0031476/step, 1.84257 hours remaining, 234.457031 MB of memory in use. ENERGY: 2892600 4015.2155 20437.6113 14415.6500 260.6948 -203038.0023 2462.3393 0.0000 0.0000 52226.1206 -109220.3709 300.1442 -161446.4915 -108863.5728 299.5085 -98.2956 -73.0450 761536.5482 4.3002 4.2554 PRESSURE: 2892800 -87.5966 -9.71408 124.774 -9.71411 85.1536 -10.4691 124.774 -10.4698 9.55816 GPRESSURE: 2892800 111.798 -75.0063 68.9735 136.387 -4.53729 -3.48608 73.1218 20.9517 -11.1473 PRESSAVG: 2892800 -2.25586 1.8927 4.47806 1.89271 -0.294236 -65.7881 4.47799 -65.7881 -19.4317 GPRESSAVG: 2892800 -1.12629 -0.154376 2.94327 3.9551 -1.23462 -65.0877 3.18812 -65.242 -19.3358 TIMING: 2892800 CPU: 9034.97, 0.00315585/step Wall: 9034.97, 0.00315585/step, 1.84722 hours remaining, 234.457031 MB of memory in use. ENERGY: 2892800 4036.2768 20574.7146 14326.9066 233.2600 -202944.3899 2539.6602 0.0000 0.0000 52103.1165 -109130.4553 299.4373 -161233.5717 -108771.4009 299.6191 2.3717 32.0378 763988.9815 -7.3273 -7.2322 PRESSURE: 2893000 -313.24 200.37 259.978 200.371 -32.2548 29.1561 259.978 29.1558 -164.313 GPRESSURE: 2893000 -252.785 233.49 210.02 141.103 -31.7536 -40.6131 169.259 107.824 -140.307 PRESSAVG: 2893000 -40.5004 -26.4591 -17.4711 -26.4591 53.9638 38.881 -17.4711 38.881 -5.16097 GPRESSAVG: 2893000 -41.2581 -25.4267 -18.9654 -29.1455 54.8781 37.982 -14.1283 37.8034 -5.75224 TIMING: 2893000 CPU: 9035.6, 0.00314474/step Wall: 9035.6, 0.00314474/step, 1.84055 hours remaining, 234.457031 MB of memory in use. ENERGY: 2893000 4018.9757 20432.4526 14408.9662 266.6949 -203195.2310 2558.0952 0.0000 0.0000 52306.1314 -109203.9150 300.6041 -161510.0464 -108847.8417 299.5516 -169.9356 -141.6154 761072.8261 2.7675 2.6226 PRESSURE: 2893200 -133.826 56.1619 -14.2465 56.162 -16.2392 341.606 -14.2468 341.606 305.615 GPRESSURE: 2893200 19.9683 42.9746 -30.5354 14.0594 -44.6074 426.922 -118.951 298.481 254.417 PRESSAVG: 2893200 -35.8788 30.8794 -6.68577 30.8795 30.5908 26.6624 -6.68575 26.6624 4.28514 GPRESSAVG: 2893200 -34.6613 30.9975 -5.21184 33.7316 29.5154 26.5127 -7.08888 26.0314 4.11746 TIMING: 2893200 CPU: 9036.23, 0.00317536/step Wall: 9036.23, 0.00317536/step, 1.85829 hours remaining, 234.457031 MB of memory in use. ENERGY: 2893200 4006.8474 20502.7344 14388.3376 245.9411 -202913.9489 2569.3884 0.0000 0.0000 51933.6179 -109267.0822 298.4632 -161200.7000 -108906.1479 299.5453 51.8497 76.5927 762060.2566 -0.3343 -0.3428 PRESSURE: 2893400 35.8944 -277.263 140.086 -277.264 367.521 60.7951 140.086 60.7933 91.7698 GPRESSURE: 2893400 5.90996 -277.683 101.716 -330.832 434.785 60.6863 155.695 34.9529 144.467 PRESSAVG: 2893400 -45.9711 -40.6576 15.0508 -40.6577 53.5535 8.41081 15.0509 8.41087 3.68969 GPRESSAVG: 2893400 -46.2584 -41.8962 14.9314 -40.7804 53.4087 7.19809 14.7919 9.7944 4.33297 TIMING: 2893400 CPU: 9036.86, 0.00315134/step Wall: 9036.86, 0.00315134/step, 1.84406 hours remaining, 234.457031 MB of memory in use. ENERGY: 2893400 3993.4348 20548.1431 14358.6178 255.2743 -202904.4531 2528.9400 0.0000 0.0000 51911.8846 -109308.1584 298.3383 -161220.0430 -108942.0460 299.2394 165.0618 195.0541 760739.7189 3.7574 3.8278 PRESSURE: 2893600 -82.0667 69.2912 -108.696 69.2916 -413.17 -23.8017 -108.696 -23.8009 -45.5892 GPRESSURE: 2893600 -124.259 -33.2541 -137.844 101.002 -309.13 -115.3 56.4483 41.4 -42.8235 PRESSAVG: 2893600 -31.6972 -22.4336 -38.4555 -22.4336 27.658 -30.0783 -38.4555 -30.0783 26.4652 GPRESSAVG: 2893600 -32.1175 -23.5837 -38.9976 -22.6834 28.0549 -28.3614 -36.3237 -30.1465 26.7069 TIMING: 2893600 CPU: 9037.49, 0.00314761/step Wall: 9037.49, 0.00314761/step, 1.8417 hours remaining, 234.457031 MB of memory in use. ENERGY: 2893600 4005.1962 20389.3078 14403.3430 246.1362 -202591.3994 2195.5478 0.0000 0.0000 52070.1077 -109281.7609 299.2476 -161351.8686 -108911.3229 299.2462 -180.2753 -158.7374 764900.1631 7.4753 7.5481 PRESSURE: 2893800 -153.333 -80.7755 107.916 -80.7758 -14.1884 34.2427 107.915 34.2406 221.181 GPRESSURE: 2893800 -92.2906 -158.828 48.3188 -104.872 -31.7364 -40.0485 134.719 -20.1497 268.392 PRESSAVG: 2893800 8.99663 19.3182 -47.9022 19.3182 -0.970769 -8.21099 -47.9021 -8.21111 -20.2803 GPRESSAVG: 2893800 7.38884 19.9656 -46.6963 18.8622 -0.128342 -8.5967 -49.5003 -8.37033 -19.8313 TIMING: 2893800 CPU: 9038.12, 0.00316397/step Wall: 9038.12, 0.00316397/step, 1.8511 hours remaining, 234.457031 MB of memory in use. ENERGY: 2893800 4108.7965 20351.3317 14378.3252 252.1694 -203144.3365 2602.6780 0.0000 0.0000 52002.2688 -109448.7670 298.8578 -161451.0358 -109094.3433 299.1424 17.8865 48.1217 762820.0282 -4.0848 -4.1903 PRESSURE: 2894000 -88.3919 27.7308 -186.137 27.7301 254.983 176.205 -186.137 176.206 -646.382 GPRESSURE: 2894000 -15.1149 79.3755 -172.016 -51.5742 249.243 49.1308 -244.955 174.094 -625.486 PRESSAVG: 2894000 -20.8413 -16.9888 -40.2139 -16.9888 43.5669 0.343989 -40.2139 0.343994 23.2245 GPRESSAVG: 2894000 -20.5977 -16.563 -38.7072 -17.0508 42.1711 0.539914 -40.1802 0.319533 23.5053 TIMING: 2894000 CPU: 9038.75, 0.00313722/step Wall: 9038.75, 0.00313722/step, 1.83527 hours remaining, 234.457031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2894000 4001.4084 20287.0770 14343.7022 247.8671 -202555.1350 2182.6321 0.0000 0.0000 52203.0906 -109289.3576 300.0119 -161492.4482 -108921.5255 299.4128 -159.9303 -130.4524 762857.8988 15.3167 15.0262 PRESSURE: 2894200 -99.6547 -14.3856 78.9414 -14.3846 -58.0068 57.8522 78.9413 57.8524 -329.309 GPRESSURE: 2894200 -126.304 76.8755 88.9724 -49.4363 107.772 66.8512 -3.04842 37.0279 -357.006 PRESSAVG: 2894200 -9.01012 -57.4438 -16.6144 -57.4438 9.64218 29.8856 -16.6143 29.8855 13.1814 GPRESSAVG: 2894200 -8.84981 -58.0742 -17.2669 -55.1405 10.0849 30.501 -18.7182 28.9102 12.8228 TIMING: 2894200 CPU: 9039.38, 0.00313049/step Wall: 9039.38, 0.00313049/step, 1.83116 hours remaining, 234.457031 MB of memory in use. ENERGY: 2894200 4016.2468 20457.8900 14392.8096 267.6168 -202967.3567 2559.9621 0.0000 0.0000 51895.3658 -109377.4654 298.2434 -161272.8312 -109016.7408 298.8507 -162.3236 -125.1795 762814.0311 4.6045 4.6859 PRESSURE: 2894400 228.029 19.6637 -161.643 19.6643 -51.8935 -140.388 -161.642 -140.388 -180.027 GPRESSURE: 2894400 163.434 15.767 -32.9906 -0.907501 11.3509 -123.738 -174.81 -19.2891 -107.026 PRESSAVG: 2894400 -32.1656 -42.5146 31.4191 -42.5145 57.6067 21.9799 31.4191 21.9799 1.84252 GPRESSAVG: 2894400 -31.3621 -42.7321 30.4499 -45.6972 57.5539 20.8153 32.2043 23.1675 0.336591 TIMING: 2894400 CPU: 9040.01, 0.00314926/step Wall: 9040.01, 0.00314926/step, 1.84197 hours remaining, 234.457031 MB of memory in use. ENERGY: 2894400 3970.0762 20542.1285 14496.8635 265.6388 -203530.2556 2821.7451 0.0000 0.0000 51809.5660 -109624.2376 297.7503 -161433.8036 -109272.0015 298.5270 -1.2972 22.5861 761687.3693 9.0945 8.8428 PRESSURE: 2894600 -128.59 -28.6828 -78.6191 -28.6833 -151.909 -63.1768 -78.619 -63.1784 -167.702 GPRESSURE: 2894600 -202.92 -68.4137 -85.8885 -72.9519 -102.296 3.87556 -85.0208 -25.6921 -70.1782 PRESSAVG: 2894600 8.29335 -2.57035 22.2878 -2.57029 -2.85473 41.8754 22.2878 41.8754 6.08699 GPRESSAVG: 2894600 6.82635 -2.42097 22.9284 0.185424 -2.62764 42.1628 23.5797 42.2512 6.83019 TIMING: 2894600 CPU: 9040.63, 0.00313372/step Wall: 9040.63, 0.00313373/step, 1.83271 hours remaining, 234.457031 MB of memory in use. ENERGY: 2894600 3923.3542 20564.3471 14410.6213 244.0099 -203150.4260 2397.0663 0.0000 0.0000 52002.2963 -109608.7308 298.8579 -161611.0271 -109246.2130 298.9657 -149.4003 -125.1314 761905.7795 3.8419 3.6763 PRESSURE: 2894800 64.0256 82.1557 -5.45767 82.156 -265.114 -17.3776 -5.45693 -17.3783 29.1669 GPRESSURE: 2894800 177.023 90.7061 28.9681 11.5016 -187.505 -31.4481 35.7767 -9.97451 -63.8451 PRESSAVG: 2894800 -8.28876 -6.17892 50.2335 -6.17889 -46.4377 24.4062 50.2335 24.4061 35.1817 GPRESSAVG: 2894800 -6.83966 -4.65114 48.995 -9.00213 -46.0251 22.7087 51.0967 25.4984 33.8775 TIMING: 2894800 CPU: 9041.26, 0.00313208/step Wall: 9041.26, 0.00313208/step, 1.83157 hours remaining, 234.457031 MB of memory in use. ENERGY: 2894800 3945.8186 20301.0764 14337.6467 261.2988 -202928.0616 2519.3882 0.0000 0.0000 51788.9104 -109773.9227 297.6316 -161562.8331 -109413.9859 298.5159 -57.3072 -24.7757 762713.1236 -6.5149 -6.3291 PRESSURE: 2895000 -222.101 10.2101 311.758 10.2096 514.325 89.2111 311.758 89.2102 78.7008 GPRESSURE: 2895000 -151.096 86.3312 230.456 -72.7533 475.294 121.16 285.278 100.728 149.831 PRESSAVG: 2895000 -35.1927 12.7704 1.20463 12.7704 27.6634 -56.7107 1.20457 -56.7107 11.4649 GPRESSAVG: 2895000 -36.5012 11.3792 1.78305 13.7339 26.3839 -55.0609 0.656501 -59.4839 13.61 TIMING: 2895000 CPU: 9041.89, 0.0031296/step Wall: 9041.89, 0.0031296/step, 1.82995 hours remaining, 234.457031 MB of memory in use. ENERGY: 2895000 3974.0742 20421.1444 14503.6213 244.4526 -203053.5721 2365.8919 0.0000 0.0000 52051.5118 -109492.8759 299.1408 -161544.3877 -109137.6166 298.8164 123.6415 158.0100 761879.0327 1.3118 1.1642 PRESSURE: 2895200 132.347 57.3357 -10.0173 57.3358 -122.561 21.7802 -10.0163 21.7803 -104.825 GPRESSURE: 2895200 104.589 85.2948 144.276 94.0351 -57.9268 89.5288 -144.305 -23.1206 -66.6345 PRESSAVG: 2895200 -47.1369 37.7988 14.0923 37.7988 26.8807 -24.4235 14.0923 -24.4234 -4.06954 GPRESSAVG: 2895200 -48.8822 40.5151 13.1051 36.75 28.7282 -24.8873 14.4575 -22.2283 -4.3572 TIMING: 2895200 CPU: 9042.51, 0.00313193/step Wall: 9042.51, 0.00313194/step, 1.83114 hours remaining, 234.457031 MB of memory in use. ENERGY: 2895200 3937.5505 20527.0720 14415.6523 244.7548 -202815.0543 2323.4924 0.0000 0.0000 51896.9390 -109469.5932 298.2524 -161366.5322 -109110.8709 299.3065 -31.6797 -6.6574 760375.4536 -8.1086 -8.1704 PRESSURE: 2895400 85.1394 -37.4294 -30.0223 -37.4293 231.712 -84.3909 -30.023 -84.3906 -86.1332 GPRESSURE: 2895400 161.828 36.189 -13.5685 -165.217 244.838 -124.558 -48.8558 -48.3943 -89.8036 PRESSAVG: 2895400 -14.5859 13.1389 -10.1856 13.1387 19.4973 15.2921 -10.1856 15.2921 -2.67717 GPRESSAVG: 2895400 -12.9463 11.8824 -10.2442 13.3249 18.3757 14.8809 -13.0786 12.923 -3.64476 TIMING: 2895400 CPU: 9043.14, 0.00312687/step Wall: 9043.14, 0.00312688/step, 1.82801 hours remaining, 234.457031 MB of memory in use. ENERGY: 2895400 3990.2057 20367.9578 14408.6138 266.7120 -203284.2180 2801.8756 0.0000 0.0000 52032.5409 -109416.3123 299.0317 -161448.8532 -109055.6837 299.5266 76.9060 105.6208 759144.5200 0.7448 0.5949 PRESSURE: 2895600 -144.011 259.582 -31.1919 259.583 94.0188 -170.354 -31.1907 -170.354 118.825 GPRESSURE: 2895600 -182.001 225.251 -91.8611 191.381 136.487 -157.844 -63.8814 0.603004 199.792 PRESSAVG: 2895600 34.6734 -32.2509 -29.7937 -32.2508 -15.664 -32.0282 -29.7938 -32.0282 20.0156 GPRESSAVG: 2895600 34.1678 -33.85 -29.0757 -32.3452 -16.2794 -31.7818 -26.9507 -29.8034 21.4955 TIMING: 2895600 CPU: 9043.76, 0.00312028/step Wall: 9043.76, 0.00312028/step, 1.82398 hours remaining, 234.457031 MB of memory in use. ENERGY: 2895600 3969.7958 20446.1591 14405.4108 267.7889 -202968.3055 2383.8164 0.0000 0.0000 51941.6780 -109553.6564 298.5095 -161495.3344 -109189.1606 299.3828 22.9445 51.4261 760122.5339 13.0084 13.1280 PRESSURE: 2895800 -91.5031 -0.119629 320.475 -0.118507 -144.989 131.7 320.475 131.699 -0.296896 GPRESSURE: 2895800 -112.136 -7.27924 356.341 29.4868 -70.732 102.273 213.588 85.1438 51.8174 PRESSAVG: 2895800 -6.28569 -5.64928 22.858 -5.64923 75.2237 -43.9995 22.8579 -43.9994 -9.72588 GPRESSAVG: 2895800 -6.14634 -5.2324 22.4938 -5.98399 76.1566 -43.8218 21.5424 -44.5273 -10.4139 TIMING: 2895800 CPU: 9044.39, 0.00313059/step Wall: 9044.39, 0.00313059/step, 1.82983 hours remaining, 234.457031 MB of memory in use. ENERGY: 2895800 3927.1040 20363.7310 14251.1875 248.3330 -203284.4837 2705.4256 0.0000 0.0000 51904.1972 -109884.5053 298.2941 -161788.7025 -109518.5807 298.2074 -78.9296 -43.6836 760871.6600 19.7374 19.8655 PRESSURE: 2896000 -17.8351 21.4079 109.837 21.4084 156.962 284.454 109.837 284.454 420.295 GPRESSURE: 2896000 22.9173 1.95144 59.726 122.699 243.328 206.953 78.0122 154.716 372.465 PRESSAVG: 2896000 -50.6186 8.18802 -51.5726 8.18804 35.1091 6.25259 -51.5726 6.2527 -11.01 GPRESSAVG: 2896000 -49.335 8.18748 -50.5611 9.36122 33.7918 6.68167 -51.789 3.89814 -11.1079 TIMING: 2896000 CPU: 9045.02, 0.00314362/step Wall: 9045.02, 0.00314362/step, 1.83727 hours remaining, 234.457031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2896000 3970.8866 20415.6126 14389.1939 227.2502 -202944.7616 2537.1517 0.0000 0.0000 51665.6762 -109738.9904 296.9234 -161404.6666 -109389.9907 298.1068 186.4742 212.9034 760835.7336 -8.8398 -8.8837 PRESSURE: 2896200 394.604 -76.5319 -155.927 -76.5322 -182.454 -79.1581 -155.926 -79.1564 279.911 GPRESSURE: 2896200 300.089 -80.8753 -169.722 -64.3638 6.60348 -101.955 47.5832 35.1071 275.735 PRESSAVG: 2896200 17.1008 -24.2488 -17.2322 -24.2488 -15.2086 -27.119 -17.2323 -27.119 16.2094 GPRESSAVG: 2896200 15.9615 -23.9204 -18.4006 -23.5924 -13.6842 -30.0044 -18.1561 -24.8762 15.8903 TIMING: 2896200 CPU: 9045.65, 0.00314339/step Wall: 9045.65, 0.00314339/step, 1.83696 hours remaining, 234.457031 MB of memory in use. ENERGY: 2896200 3965.1352 20285.9232 14363.3287 236.0625 -203513.7790 2796.0178 0.0000 0.0000 52142.6523 -109724.6594 299.6645 -161867.3117 -109365.2205 298.6828 164.0204 194.1425 760633.6724 6.0339 6.0558 LDB: ============= START OF LOAD BALANCING ============== 9058.13 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9058.13 LDB: =============== DONE WITH MIGRATION ================ 9058.13 LDB: ============= START OF LOAD BALANCING ============== 9058.44 LDB: Largest compute 7072 load 0.029042 is 14.9% of average load 0.195036 LDB: Average compute 0.004387 is 2.2% of average load 0.195036 LDB: TIME 9058.45 LOAD: AVG 0.195036 MAX 0.216238 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 9058.45 LOAD: AVG 0.195036 MAX 0.216238 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: TIME 9058.45 LOAD: AVG 0.195036 MAX 0.216238 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: ============== END OF LOAD BALANCING =============== 9058.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9058.45 PRESSURE: 2896400 97.3986 -86.6779 -6.80891 -86.6779 -161.568 -223.28 -6.80937 -223.279 169.187 GPRESSURE: 2896400 109.302 -46.1395 0.690918 -35.2876 -61.7774 -255.128 9.0246 -121.624 132.275 PRESSAVG: 2896400 39.0596 10.4506 10.0711 10.4506 -32.5657 -43.177 10.0711 -43.1771 26.451 GPRESSAVG: 2896400 39.6823 10.1472 11.0303 10.1062 -33.9803 -40.6551 11.9171 -42.8317 26.6359 TIMING: 2896400 CPU: 9046.29, 0.00320803/step Wall: 9046.29, 0.00320803/step, 1.87456 hours remaining, 236.566406 MB of memory in use. ENERGY: 2896400 3911.0847 20359.1898 14354.1821 255.9464 -203276.0645 2692.7777 0.0000 0.0000 51985.7550 -109717.1287 298.7628 -161702.8837 -109349.9576 298.5845 35.0059 59.9331 762474.7162 10.9816 10.7793 PRESSURE: 2896600 231.004 -63.6648 -147.336 -63.6663 195.817 40.1997 -147.337 40.2005 -61.5152 GPRESSURE: 2896600 246.583 -136.927 -252.309 -8.8465 264.406 -17.1044 -195.803 42.8931 -70.4059 PRESSAVG: 2896600 17.6572 45.6279 -52.5433 45.6279 -25.0447 -70.2056 -52.5434 -70.2057 -10.281 GPRESSAVG: 2896600 17.4964 46.32 -52.6503 45.5376 -24.5594 -71.1799 -53.3541 -70.7441 -10.8501 TIMING: 2896600 CPU: 9046.91, 0.00312421/step Wall: 9046.91, 0.00312421/step, 1.8254 hours remaining, 236.566406 MB of memory in use. ENERGY: 2896600 3915.8005 20518.0497 14410.1727 257.7311 -203597.5073 2730.4421 0.0000 0.0000 52086.1082 -109679.2029 299.3396 -161765.3111 -109313.3762 298.4947 121.7688 146.8609 760396.8957 -5.8895 -5.9710 PRESSURE: 2896800 26.5 218.276 6.54469 218.275 114.996 -35.7556 6.54377 -35.7559 -283.413 GPRESSURE: 2896800 99.4785 72.1208 34.7863 330.75 80.627 -54.6578 -106.464 21.8577 -247.222 PRESSAVG: 2896800 39.8977 32.9914 -1.90388 32.9913 -2.66789 -1.43181 -1.90393 -1.43176 12.9901 GPRESSAVG: 2896800 40.314 32.4815 -1.78801 32.202 -3.41071 -0.839143 -3.45181 -2.54427 13.7752 TIMING: 2896800 CPU: 9047.54, 0.00311658/step Wall: 9047.54, 0.00311658/step, 1.82078 hours remaining, 236.566406 MB of memory in use. ENERGY: 2896800 3932.9635 20597.7584 14382.8678 253.8292 -203338.2470 2649.6822 0.0000 0.0000 51840.2348 -109680.9111 297.9265 -161521.1459 -109329.8314 298.9485 -47.3055 -22.3722 759773.3964 16.7400 16.8928 PRESSURE: 2897000 -7.50949 -67.5146 402.52 -67.5153 -110.77 -38.3836 402.52 -38.3832 -136.685 GPRESSURE: 2897000 -37.1013 -110.19 455.222 -1.35587 -22.0649 -76.7577 386.435 -4.25727 -121.275 PRESSAVG: 2897000 -38.4033 -23.5815 -21.1434 -23.5815 61.5438 -20.9039 -21.1434 -20.9039 2.53616 GPRESSAVG: 2897000 -38.8535 -23.7829 -20.1701 -22.5547 63.5747 -21.8855 -17.9453 -20.8474 1.12408 TIMING: 2897000 CPU: 9048.16, 0.0031185/step Wall: 9048.16, 0.0031185/step, 1.82172 hours remaining, 236.566406 MB of memory in use. ENERGY: 2897000 4009.2421 20370.5646 14438.0094 231.7099 -203262.1453 2521.9864 0.0000 0.0000 52079.6818 -109610.9511 299.3026 -161690.6330 -109249.5662 298.9252 -84.9881 -60.1469 761168.6465 8.5589 8.6151 PRESSURE: 2897200 -200.511 44.1831 -20.2499 44.1835 20.9958 -56.4738 -20.2487 -56.4745 195.352 GPRESSURE: 2897200 -189.899 37.5147 119.546 114.135 69.3368 -124.306 -42.4318 -8.49769 212.972 PRESSAVG: 2897200 -30.9462 -23.9809 57.6921 -23.981 -0.720228 -8.62991 57.6921 -8.62995 -4.15975 GPRESSAVG: 2897200 -30.9767 -24.2408 57.5478 -23.6572 -2.64281 -9.76836 57.641 -8.06414 -2.38323 TIMING: 2897200 CPU: 9048.78, 0.00312085/step Wall: 9048.78, 0.00312085/step, 1.82292 hours remaining, 236.566406 MB of memory in use. ENERGY: 2897200 4059.5386 20478.4325 14367.2540 225.4315 -203141.8418 2319.6253 0.0000 0.0000 52122.4787 -109569.0811 299.5486 -161691.5599 -109201.1814 299.1991 5.2788 30.8036 759946.8428 -11.9421 -12.0009 PRESSURE: 2897400 -237.948 -184.898 -2.00405 -184.898 -352.552 -206.213 -2.00399 -206.213 -370.265 GPRESSURE: 2897400 -225.741 -227.657 -42.7466 -217.478 -315.129 -153.981 -96.1985 -79.1523 -319.277 PRESSAVG: 2897400 -8.48334 -87.4173 -4.64874 -87.4173 37.4079 8.36032 -4.64874 8.36032 -7.72129 GPRESSAVG: 2897400 -7.48135 -87.0934 -3.84892 -86.8228 37.5697 10.0827 -5.22825 8.39118 -8.47306 TIMING: 2897400 CPU: 9049.41, 0.00313873/step Wall: 9049.41, 0.00313873/step, 1.83319 hours remaining, 236.566406 MB of memory in use. ENERGY: 2897400 3991.8651 20508.5378 14372.7574 242.9433 -203315.4069 2547.1961 0.0000 0.0000 52009.1251 -109642.9821 298.8972 -161652.1072 -109281.1539 298.8607 -320.2550 -286.7158 761421.0289 7.0678 7.2051 PRESSURE: 2897600 78.7959 -256.241 -265.86 -256.242 269.349 75.2639 -265.86 75.2635 129.376 GPRESSURE: 2897600 31.752 -241.041 -267.87 -162.624 306.988 120.177 -302.071 23.8254 220.12 PRESSAVG: 2897600 -47.4263 40.6936 -4.10444 40.6935 24.4356 -50.9567 -4.10437 -50.9567 -3.65378 GPRESSAVG: 2897600 -47.9543 41.0651 -5.73172 39.6887 24.4532 -50.2657 -3.74046 -51.4467 -2.87957 TIMING: 2897600 CPU: 9050.04, 0.00313498/step Wall: 9050.04, 0.00313498/step, 1.83083 hours remaining, 236.566406 MB of memory in use. ENERGY: 2897600 4038.6863 20596.4018 14430.0424 236.2952 -203362.6486 2630.6795 0.0000 0.0000 51996.2925 -109434.2509 298.8234 -161430.5434 -109073.8913 298.8694 159.1734 186.2867 759893.7110 -8.8815 -8.7936 PRESSURE: 2897800 52.9976 -84.7472 -20.5775 -84.7475 -151.104 181.913 -20.5773 181.914 416.965 GPRESSURE: 2897800 66.2738 -15.6961 -42.3923 -158.988 -103.181 198.971 -7.92006 190.319 453.226 PRESSAVG: 2897800 6.04081 18.328 3.58488 18.3279 -9.59268 -1.33464 3.58488 -1.33469 16.3286 GPRESSAVG: 2897800 5.23472 18.5875 3.15964 19.4903 -8.25269 -1.81647 2.57091 -0.281433 15.3182 TIMING: 2897800 CPU: 9050.67, 0.00313746/step Wall: 9050.67, 0.00313746/step, 1.8321 hours remaining, 236.566406 MB of memory in use. ENERGY: 2897800 4067.6612 20423.6040 14356.0439 232.9117 -203414.5544 2713.6311 0.0000 0.0000 52090.2402 -109530.4623 299.3633 -161620.7026 -109171.2691 299.3423 106.2863 138.7730 760903.2876 4.2589 4.1001 PRESSURE: 2898000 185.03 -89.015 84.7028 -89.0159 137.358 56.3468 84.7021 56.3468 287.244 GPRESSURE: 2898000 247.692 -112.461 173.78 -61.1001 120.089 115.434 198.702 66.5906 304.392 PRESSAVG: 2898000 -12.1512 23.0587 40.8911 23.0587 37.8538 -71.7721 40.8911 -71.7722 -20.9634 GPRESSAVG: 2898000 -11.8119 22.2214 41.5517 21.964 36.3727 -70.8845 42.3812 -72.4537 -19.4895 TIMING: 2898000 CPU: 9051.29, 0.0031316/step Wall: 9051.29, 0.0031316/step, 1.8285 hours remaining, 236.566406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2898000 4002.3340 20569.6129 14466.6719 278.6449 -203388.5272 2736.9508 0.0000 0.0000 52023.5253 -109310.7874 298.9799 -161334.3126 -108943.2344 299.5708 203.2107 224.0576 760668.4398 1.5797 1.6904 PRESSURE: 2898200 166.173 -69.07 -73.4582 -69.0697 72.649 12.9576 -73.4573 12.958 -146.164 GPRESSURE: 2898200 161.274 -126.834 -92.1979 -92.5333 98.4439 50.126 -102.325 43.4053 -96.6872 PRESSAVG: 2898200 27.6077 14.5941 7.47229 14.5941 -67.9614 40.0043 7.47233 40.0043 4.46082 GPRESSAVG: 2898200 27.3408 14.8832 6.84134 15.967 -66.6918 38.3968 8.28447 38.4018 3.25959 TIMING: 2898200 CPU: 9051.92, 0.00313447/step Wall: 9051.92, 0.00313447/step, 1.83001 hours remaining, 236.566406 MB of memory in use. ENERGY: 2898200 3960.5773 20461.1728 14368.2941 243.3673 -203209.3806 2432.3963 0.0000 0.0000 52168.4679 -109575.1047 299.8129 -161743.5727 -109218.4820 298.8839 30.8863 54.3436 761133.9907 -11.9643 -12.0305 PRESSURE: 2898400 -371.307 -207.1 -162.175 -207.101 4.95037 -94.0113 -162.176 -94.0123 307.92 GPRESSURE: 2898400 -265.277 -163.902 -246.257 -278.841 54.0373 -58.6655 -93.3924 -17.944 253.677 PRESSAVG: 2898400 24.3223 -8.13607 1.32588 -8.13607 -10.691 18.7716 1.32583 18.7717 -2.30867 GPRESSAVG: 2898400 25.817 -8.57593 0.728276 -8.48856 -11.8216 18.224 -1.7827 22.8863 -1.96689 TIMING: 2898400 CPU: 9052.54, 0.00311701/step Wall: 9052.54, 0.00311701/step, 1.81964 hours remaining, 236.566406 MB of memory in use. ENERGY: 2898400 3945.9137 20460.8876 14383.8132 243.5984 -203926.2029 3239.5235 0.0000 0.0000 52114.4010 -109538.0656 299.5022 -161652.4665 -109171.3698 299.0975 -19.4788 14.1458 762126.9933 3.7742 4.0095 PRESSURE: 2898600 168.881 35.0392 -183.323 35.0383 -54.1898 5.09436 -183.324 5.09481 141.704 GPRESSURE: 2898600 199.629 130.163 -140.144 69.9472 -54.6903 25.2623 -186.217 -12.5227 198.074 PRESSAVG: 2898600 -14.5064 -23.1162 38.7464 -23.1162 17.5093 24.9424 38.7463 24.9425 -27.0587 GPRESSAVG: 2898600 -15.0438 -23.5209 39.2056 -22.5804 18.885 25.8793 38.2396 23.5448 -28.1825 TIMING: 2898600 CPU: 9053.17, 0.00313128/step Wall: 9053.17, 0.00313129/step, 1.8278 hours remaining, 236.566406 MB of memory in use. ENERGY: 2898600 3971.7755 20565.4326 14433.1651 256.8392 -203378.5248 2648.3899 0.0000 0.0000 52082.1304 -109420.7921 299.3167 -161502.9225 -109054.8189 299.1975 85.4652 114.3377 760644.3357 -8.0186 -8.1138 PRESSURE: 2898800 -52.3407 -30.0249 -147.136 -30.0254 9.26223 9.95878 -147.135 9.95891 -372.032 GPRESSURE: 2898800 35.6061 -13.2037 -97.9591 -44.3478 11.5215 -10.3338 -153.887 97.0756 -361.101 PRESSAVG: 2898800 21.6769 -4.95216 21.8089 -4.95218 -20.96 3.36968 21.8089 3.3696 10.0918 GPRESSAVG: 2898800 21.6997 -5.26945 20.7384 -5.02171 -22.0673 1.97917 23.1829 4.59165 11.0722 TIMING: 2898800 CPU: 9053.8, 0.00313406/step Wall: 9053.8, 0.00313407/step, 1.82925 hours remaining, 236.566406 MB of memory in use. ENERGY: 2898800 4048.4366 20405.9501 14456.5373 247.0302 -203456.9903 2803.5922 0.0000 0.0000 52032.8098 -109462.6341 299.0333 -161495.4438 -109089.5824 299.2457 -138.3700 -104.6578 762465.5972 3.6029 3.5682 PRESSURE: 2899000 -2.44507 145.147 35.1702 145.148 245.973 27.437 35.1704 27.4367 -38.7416 GPRESSURE: 2899000 64.6328 43.0215 -5.74423 200.531 287.917 37.7627 147.002 -31.0488 -55.7969 PRESSAVG: 2899000 22.8035 -10.11 -18.4239 -10.1099 -64.3634 -5.58945 -18.4239 -5.58949 2.59714 GPRESSAVG: 2899000 23.5028 -9.44867 -15.8347 -10.1121 -64.0955 -5.0313 -19.2767 -7.37019 1.64996 TIMING: 2899000 CPU: 9054.42, 0.0031295/step Wall: 9054.42, 0.0031295/step, 1.82641 hours remaining, 236.566406 MB of memory in use. ENERGY: 2899000 4037.5524 20528.7062 14506.9590 243.5839 -203053.2190 2494.2081 0.0000 0.0000 51889.7723 -109352.4371 298.2112 -161242.2094 -108995.4156 299.1488 68.2621 98.9175 761171.0300 -12.9876 -12.9809 PRESSURE: 2899200 487.223 86.1192 -88.1534 86.1188 268.441 52.0104 -88.1535 52.0109 736.197 GPRESSURE: 2899200 540.517 12.0358 -109.926 156.418 333.215 -25.9393 -122.022 81.2696 700.835 PRESSAVG: 2899200 7.38999 22.2573 13.6427 22.2573 43.6959 27.7231 13.6427 27.7232 -9.13885 GPRESSAVG: 2899200 6.3301 21.8434 11.798 20.9527 42.8804 27.662 14.9835 26.8417 -6.88828 TIMING: 2899200 CPU: 9055.05, 0.00313855/step Wall: 9055.05, 0.00313855/step, 1.83152 hours remaining, 236.566406 MB of memory in use. ENERGY: 2899200 3961.7210 20556.5204 14410.4179 262.7486 -203427.6503 2698.2448 0.0000 0.0000 52275.0310 -109262.9666 300.4253 -161537.9976 -108906.6856 299.3540 497.2872 524.8558 760431.0948 13.9823 14.1074 PRESSURE: 2899400 -25.6444 -253.985 37.6667 -253.984 -143.381 11.1332 37.6669 11.1331 -342.195 GPRESSURE: 2899400 46.493 -239.666 20.9644 -218.419 -101.412 26.6387 -11.3224 92.1479 -361.263 PRESSAVG: 2899400 15.5897 -29.0852 10.6324 -29.0851 -14.7595 67.9178 10.6324 67.9178 -4.67583 GPRESSAVG: 2899400 15.9157 -27.9992 10.4208 -29.9398 -13.5669 68.5489 10.4544 70.1965 -6.37835 TIMING: 2899400 CPU: 9055.68, 0.00315581/step Wall: 9055.68, 0.00315581/step, 1.84141 hours remaining, 236.566406 MB of memory in use. ENERGY: 2899400 3958.2627 20497.9937 14436.3084 253.2921 -202921.4457 2440.1312 0.0000 0.0000 52084.0028 -109251.4547 299.3275 -161335.4575 -108893.5158 299.7067 -170.4067 -138.7272 762849.5289 -1.2819 -1.3432 PRESSURE: 2899600 127.049 65.8174 -72.1084 65.8185 193.983 -226.775 -72.1089 -226.775 101.612 GPRESSURE: 2899600 221.714 150.486 -48.0196 116.655 210.082 -154.052 -78.1558 -265.381 82.1516 PRESSAVG: 2899600 38.3264 2.76085 -16.3665 2.76091 2.33543 31.4316 -16.3666 31.4316 -12.226 GPRESSAVG: 2899600 38.3205 1.52386 -15.7294 2.26323 1.67031 32.0968 -16.816 29.5582 -12.0493 TIMING: 2899600 CPU: 9056.31, 0.00315391/step Wall: 9056.31, 0.00315391/step, 1.84013 hours remaining, 236.566406 MB of memory in use. ENERGY: 2899600 4018.2984 20458.8546 14483.5396 265.3258 -203294.1448 2691.7869 0.0000 0.0000 52278.7075 -109097.6320 300.4465 -161376.3395 -108732.9987 299.8849 140.8814 171.3160 760369.1662 9.4786 9.3138 PRESSURE: 2899800 341.835 27.4866 -36.1773 27.4861 337.499 95.6565 -36.1768 95.6561 375.678 GPRESSURE: 2899800 323.031 -79.5315 -106.034 112.749 382.615 288.666 -11.5226 -28.2994 432.715 PRESSAVG: 2899800 38.958 0.336792 37.2613 0.336796 -54.7876 8.21491 37.2614 8.21488 12.6585 GPRESSAVG: 2899800 38.4918 0.0957343 35.9765 2.52936 -55.0006 6.45979 37.3194 9.46305 12.913 TIMING: 2899800 CPU: 9056.94, 0.00314168/step Wall: 9056.94, 0.00314168/step, 1.83282 hours remaining, 236.566406 MB of memory in use. ENERGY: 2899800 3986.6293 20563.7309 14581.0504 252.7857 -203260.2103 2619.5573 0.0000 0.0000 52238.9421 -109017.5146 300.2179 -161256.4567 -108645.2877 299.9847 351.6707 379.4537 758596.4564 -1.0570 -1.1986 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2900000 WRITING COORDINATES TO RESTART FILE AT STEP 2900000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2900000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2900000 -166.275 -226.916 27.882 -226.916 -181.228 -69.9776 27.8825 -69.9778 4.23262 GPRESSURE: 2900000 -106.836 -177.424 -15.7118 -181.828 -160.001 -88.2026 22.4451 -56.5167 -13.6529 PRESSAVG: 2900000 7.11502 -80.0867 14.3578 -80.0866 -49.044 -10.2503 14.3579 -10.2503 14.2173 GPRESSAVG: 2900000 6.7505 -77.1218 16.5632 -83.2465 -48.6287 -9.0484 14.0758 -11.3148 13.6394 TIMING: 2900000 CPU: 9057.59, 0.00325275/step Wall: 9057.59, 0.00325275/step, 1.89744 hours remaining, 236.566406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2900000 4086.0448 20496.7888 14502.2926 241.1873 -202699.6043 2077.6863 0.0000 0.0000 52205.1913 -109090.4132 300.0240 -161295.6045 -108729.4763 299.9941 -114.4234 -93.4966 760721.2495 -9.2372 -9.4129 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2900000 PRESSURE: 2900200 14.4741 -24.2071 64.223 -24.2066 -133.68 -206.527 64.2232 -206.527 -103.204 GPRESSURE: 2900200 61.7973 -21.108 -120.656 -5.8959 -146.921 -247.508 181.83 -166.404 -50.1854 PRESSAVG: 2900200 38.149 -48.8995 -13.7592 -48.8995 4.58868 14.8525 -13.7592 14.8525 -6.07836 GPRESSAVG: 2900200 38.9596 -52.3974 -14.5329 -45.1199 2.09422 16.8775 -13.0227 13.6025 -4.70386 TIMING: 2900200 CPU: 9058.22, 0.00315757/step Wall: 9058.22, 0.00315757/step, 1.84174 hours remaining, 236.566406 MB of memory in use. ENERGY: 2900200 3931.7273 20648.9723 14443.2924 239.7405 -203371.3956 2678.1072 0.0000 0.0000 52369.5024 -109060.0535 300.9682 -161429.5558 -108693.6280 299.9670 -74.1364 -45.1029 760670.4947 12.2198 12.1166 LDB: ============= START OF LOAD BALANCING ============== 9070.7 LDB: ============== END OF LOAD BALANCING =============== 9070.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9070.71 LDB: ============= START OF LOAD BALANCING ============== 9071.02 LDB: Largest compute 7072 load 0.029276 is 15.0% of average load 0.195042 LDB: Average compute 0.004377 is 2.2% of average load 0.195042 LDB: TIME 9071.02 LOAD: AVG 0.195042 MAX 0.216807 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.25 MB LDB: TIME 9071.02 LOAD: AVG 0.195042 MAX 0.216807 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: TIME 9071.02 LOAD: AVG 0.195042 MAX 0.216807 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: ============== END OF LOAD BALANCING =============== 9071.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9071.03 PRESSURE: 2900400 -218.25 -46.2708 64.636 -46.2711 118.336 -139.998 64.6367 -139.998 -479.599 GPRESSURE: 2900400 -208.132 -51.6554 129.312 0.721602 123.56 -119.084 -34.2172 -77.8028 -417.01 PRESSAVG: 2900400 -9.8769 6.44606 -11.5023 6.44604 4.36779 -7.6158 -11.5022 -7.61585 12.1812 GPRESSAVG: 2900400 -10.1931 9.06035 -10.1611 4.44587 5.22565 -8.9992 -12.1672 -6.92127 11.456 TIMING: 2900400 CPU: 9058.87, 0.00321896/step Wall: 9058.87, 0.00321896/step, 1.87737 hours remaining, 235.523438 MB of memory in use. ENERGY: 2900400 3955.8029 20442.6843 14492.4594 239.0109 -203308.0027 2745.0696 0.0000 0.0000 52095.0139 -109337.9616 299.3908 -161432.9755 -108974.3667 299.7377 -193.1709 -167.1939 761503.2366 2.2240 2.1628 PRESSURE: 2900600 -415.869 -93.7655 109.048 -93.7646 -377.404 -34.4728 109.049 -34.473 -34.5964 GPRESSURE: 2900600 -367.377 -100.732 34.0118 -66.4352 -350.039 -46.1605 154.373 -150.732 -30.8598 PRESSAVG: 2900600 10.7789 -3.31863 35.1972 -3.31863 2.9848 -0.768758 35.1972 -0.768791 12.2432 GPRESSAVG: 2900600 10.0956 -3.94272 33.4623 -3.62292 4.36393 -0.634207 33.9889 -0.426625 11.47 TIMING: 2900600 CPU: 9059.5, 0.00315412/step Wall: 9059.5, 0.00315412/step, 1.83938 hours remaining, 235.523438 MB of memory in use. ENERGY: 2900600 3964.0510 20415.6590 14422.6610 245.8846 -203156.8565 2333.5749 0.0000 0.0000 52216.0508 -109558.9752 300.0864 -161775.0260 -109191.4273 298.9959 -275.9564 -249.4252 760169.9491 8.6690 8.6432 PRESSURE: 2900800 103.399 111.204 -37.7857 111.204 193.006 -38.1046 -37.7861 -38.1051 37.7535 GPRESSURE: 2900800 259.246 44.9675 96.2377 26.0148 199.526 -122.583 -3.48706 -35.9809 -13.3184 PRESSAVG: 2900800 24.0909 -57.8287 20.2174 -57.8287 -0.609958 43.7452 20.2174 43.7452 -9.6537 GPRESSAVG: 2900800 24.157 -59.4188 22.0245 -55.2662 -0.583116 44.2366 20.2004 42.3094 -10.0335 TIMING: 2900800 CPU: 9060.13, 0.00314726/step Wall: 9060.13, 0.00314726/step, 1.8352 hours remaining, 235.523438 MB of memory in use. ENERGY: 2900800 3904.0453 20334.9780 14486.9493 241.9990 -203044.5003 2559.0265 0.0000 0.0000 51901.5398 -109615.9625 298.2789 -161517.5023 -109249.1682 298.7866 111.3861 148.4845 760803.7537 4.6091 4.5135 PRESSURE: 2901000 164.72 171.131 174.679 171.132 2.76368 177.449 174.681 177.45 -226.404 GPRESSURE: 2901000 195.291 71.1755 126.382 117.511 -28.166 228.367 283.457 92.9837 -127.269 PRESSAVG: 2901000 -18.0918 -11.2621 19.2391 -11.2621 17.528 52.0946 19.2392 52.0945 -19.2356 GPRESSAVG: 2901000 -17.3526 -10.0215 19.3494 -13.9661 17.1128 52.6145 20.9539 53.3926 -18.7608 TIMING: 2901000 CPU: 9060.76, 0.0031489/step Wall: 9060.76, 0.0031489/step, 1.83598 hours remaining, 235.523438 MB of memory in use. ENERGY: 2901000 3892.0857 20381.9780 14478.4631 240.5296 -203370.0757 2540.4626 0.0000 0.0000 52111.1205 -109725.4363 299.4833 -161836.5567 -109361.7860 298.5907 -19.6403 13.2853 759854.7042 -6.5998 -6.3335 PRESSURE: 2901200 172.415 -126.545 -102.741 -126.545 -1.02385 -68.4585 -102.74 -68.4586 -242.006 GPRESSURE: 2901200 223.334 -61.0102 -113.405 -133.879 26.4097 -96.8437 -76.8308 -6.12194 -238.336 PRESSAVG: 2901200 32.7238 -29.9195 48.2195 -29.9195 11.197 -2.78362 48.2195 -2.78364 2.34373 GPRESSAVG: 2901200 32.3798 -28.4283 46.7412 -28.6638 10.7821 -3.51612 47.9122 -1.94504 2.81966 TIMING: 2901200 CPU: 9061.38, 0.00313909/step Wall: 9061.38, 0.00313909/step, 1.83009 hours remaining, 235.523438 MB of memory in use. ENERGY: 2901200 4028.4005 20375.3868 14416.1744 252.7091 -203209.2717 2541.3311 0.0000 0.0000 51831.5067 -109763.7630 297.8764 -161595.2697 -109394.5897 298.1381 -23.5384 3.8025 761079.8475 15.4215 15.3272 PRESSURE: 2901400 -173.926 -100.35 -54.6104 -100.349 -231.09 237.008 -54.611 237.009 21.8681 GPRESSURE: 2901400 -197.916 -266.827 -42.734 -77.4492 -146.201 180.728 38.4138 117.586 51.9998 PRESSAVG: 2901400 -59.3452 -6.10136 20.1813 -6.1013 60.0406 -36.4155 20.1813 -36.4155 9.92473 GPRESSAVG: 2901400 -59.3219 -10.5968 21.1271 -4.07859 60.9731 -36.8738 21.2358 -37.3914 8.9937 TIMING: 2901400 CPU: 9062.02, 0.00316847/step Wall: 9062.02, 0.00316847/step, 1.84704 hours remaining, 235.523438 MB of memory in use. ENERGY: 2901400 4045.8604 20448.9660 14439.4459 247.8898 -203213.9199 2430.0148 0.0000 0.0000 51886.2678 -109715.4751 298.1911 -161601.7430 -109350.5927 297.8098 -127.7160 -97.3723 761276.8113 3.5401 3.5483 PRESSURE: 2901600 -208.609 -77.3923 -113.544 -77.3928 -51.3453 171.113 -113.545 171.112 17.3837 GPRESSURE: 2901600 -69.2387 32.3146 -151.104 -37.8232 -99.9206 229.7 -57.0283 116.764 33.4019 PRESSAVG: 2901600 3.02138 28.6605 16.4155 28.6605 -1.22339 20.5425 16.4155 20.5424 -19.4816 GPRESSAVG: 2901600 3.72087 32.127 16.4502 27.0446 -1.51527 20.216 15.3941 20.1242 -19.4552 TIMING: 2901600 CPU: 9062.65, 0.00315369/step Wall: 9062.65, 0.00315369/step, 1.83825 hours remaining, 235.781250 MB of memory in use. ENERGY: 2901600 3952.8270 20464.6412 14388.4152 250.3587 -203115.5454 2387.6602 0.0000 0.0000 51869.1363 -109802.5067 298.0926 -161671.6431 -109437.4679 297.8558 -80.8570 -45.2525 761053.0260 -5.8945 -5.7499 PRESSURE: 2901800 -125.149 156.529 -9.22096 156.529 -164.048 -42.2872 -9.22155 -42.2871 -217.975 GPRESSURE: 2901800 -150.867 163.599 33.3875 98.1504 -144.469 -33.8421 40.569 -0.476241 -117.97 PRESSAVG: 2901800 -71.7159 32.3831 -27.7413 32.383 51.8106 -32.8147 -27.7414 -32.8147 -2.30088 GPRESSAVG: 2901800 -72.5263 31.7619 -28.2771 33.9151 51.6564 -32.9336 -27.811 -32.1064 -1.57367 TIMING: 2901800 CPU: 9063.28, 0.00314569/step Wall: 9063.28, 0.00314569/step, 1.83341 hours remaining, 235.781250 MB of memory in use. ENERGY: 2901800 3964.5683 20541.1001 14506.7117 248.7043 -203387.0770 2562.3736 0.0000 0.0000 51894.0264 -109669.5926 298.2357 -161563.6190 -109303.2270 298.6289 -169.0571 -137.7689 761956.8063 -7.4021 -7.4812 PRESSURE: 2902000 -99.4009 -193.178 -134.872 -193.177 -98.8273 74.9771 -134.872 74.9781 -547.581 GPRESSURE: 2902000 -75.3525 -105.373 -166.74 -127.689 -22.3864 161.312 -67.0985 38.0094 -572.962 PRESSAVG: 2902000 -59.752 8.19363 -18.7969 8.19369 58.576 42.484 -18.7969 42.4839 -14.4552 GPRESSAVG: 2902000 -57.9867 9.26254 -19.8866 8.81463 57.4909 43.1082 -17.0362 41.9863 -15.4626 TIMING: 2902000 CPU: 9063.9, 0.00313041/step Wall: 9063.9, 0.00313041/step, 1.82434 hours remaining, 235.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2902000 4006.3395 20432.0119 14454.1902 268.4322 -203330.7531 2610.6617 0.0000 0.0000 52089.2599 -109469.8577 299.3577 -161559.1176 -109102.1887 298.4527 -248.6031 -223.5669 761131.4678 -5.2104 -5.3194 PRESSURE: 2902200 384.802 -63.1784 4.11198 -63.1788 60.5344 -141.463 4.11117 -141.463 450.593 GPRESSURE: 2902200 355.188 -99.5323 7.45033 -79.6504 208.375 -86.0597 25.9759 -100.912 426.064 PRESSAVG: 2902200 -6.74173 36.2441 -22.101 36.2442 -6.22317 -0.92634 -22.1009 -0.926355 -7.24105 GPRESSAVG: 2902200 -8.1525 34.0669 -19.7086 33.9155 -5.48124 -0.940025 -22.7076 -2.32578 -6.54376 TIMING: 2902200 CPU: 9064.53, 0.00313117/step Wall: 9064.53, 0.00313117/step, 1.8246 hours remaining, 235.781250 MB of memory in use. ENERGY: 2902200 3998.5288 20485.4209 14412.5898 247.4880 -203141.0837 2704.8353 0.0000 0.0000 51661.2237 -109630.9971 296.8978 -161292.2208 -109275.3294 298.3645 298.6432 329.8757 761186.7023 -6.7353 -6.7258 PRESSURE: 2902400 2.6334 88.0474 -41.7541 88.0474 -117.784 19.8758 -41.7538 19.8762 135.819 GPRESSURE: 2902400 -68.7272 71.0463 -35.9513 58.698 -30.6117 -42.2436 -64.5546 -65.8335 196.777 PRESSAVG: 2902400 -19.173 22.7781 -6.52312 22.7781 20.9133 -37.8932 -6.52316 -37.8931 15.9174 GPRESSAVG: 2902400 -19.8035 23.8413 -8.21198 23.276 21.4811 -38.421 -6.18926 -35.7193 15.3352 TIMING: 2902400 CPU: 9065.16, 0.00314078/step Wall: 9065.16, 0.00314078/step, 1.83003 hours remaining, 235.781250 MB of memory in use. ENERGY: 2902400 3946.0795 20397.5170 14508.0565 244.5449 -203110.3054 2433.2940 0.0000 0.0000 51890.6774 -109690.1361 298.2164 -161580.8135 -109329.3456 298.1940 6.8894 32.4794 761797.6560 5.8859 5.6709 PRESSURE: 2902600 55.2371 5.06586 -272.212 5.0655 322.283 121.056 -272.211 121.055 267.243 GPRESSURE: 2902600 130.553 21.0762 -252.694 -37.6866 316.916 114.967 -354.476 73.3669 300.782 PRESSAVG: 2902600 -26.854 9.68888 10.5889 9.68891 15.8746 34.2796 10.5889 34.2796 -12.4369 GPRESSAVG: 2902600 -26.1891 7.20523 13.1075 10.3037 15.4149 32.565 8.17932 32.1441 -12.4024 TIMING: 2902600 CPU: 9065.79, 0.00314673/step Wall: 9065.79, 0.00314673/step, 1.83332 hours remaining, 235.781250 MB of memory in use. ENERGY: 2902600 3970.6359 20342.7169 14393.1573 220.0134 -203405.2335 3034.9959 0.0000 0.0000 51751.5437 -109692.1703 297.4168 -161443.7140 -109338.0480 298.1003 214.9209 249.4167 761400.2506 -7.8054 -7.7255 PRESSURE: 2902800 132.721 44.4735 -125.388 44.4756 -134.651 -81.2687 -125.388 -81.2692 -226.35 GPRESSURE: 2902800 139.077 76.9255 -196.194 39.3852 -139.201 -144.615 -38.887 -42.2785 -138.363 PRESSAVG: 2902800 -37.5832 -24.3445 -50.0967 -24.3445 8.77677 0.304161 -50.0967 0.30415 7.95038 GPRESSAVG: 2902800 -38.1353 -22.5775 -51.1443 -24.8255 8.4382 1.06053 -46.4072 -0.364641 8.74967 TIMING: 2902800 CPU: 9066.42, 0.00314373/step Wall: 9066.42, 0.00314373/step, 1.8314 hours remaining, 235.781250 MB of memory in use. ENERGY: 2902800 3952.0323 20345.2267 14453.0563 245.2368 -203009.9516 2459.4027 0.0000 0.0000 51846.0888 -109708.9081 297.9602 -161554.9968 -109358.9279 297.5493 -76.0934 -46.1623 763029.2745 -6.9520 -6.9825 PRESSURE: 2903000 116.756 25.1358 -41.8277 25.1359 -101.556 -93.1657 -41.8276 -93.1652 1.18511 GPRESSURE: 2903000 92.2279 66.9855 -45.5672 1.44967 36.4553 -80.0674 6.11224 29.0954 -14.6814 PRESSAVG: 2903000 84.4637 -8.2842 3.26001 -8.28416 -25.8984 -4.59485 3.26003 -4.59486 2.51184 GPRESSAVG: 2903000 84.7111 -8.1797 3.18862 -9.23693 -25.7732 -4.94209 3.04635 -1.3857 2.29232 TIMING: 2903000 CPU: 9067.04, 0.0031365/step Wall: 9067.04, 0.0031365/step, 1.82701 hours remaining, 235.781250 MB of memory in use. ENERGY: 2903000 3958.1201 20240.6514 14423.9620 252.9536 -203280.2521 2656.1456 0.0000 0.0000 52087.5251 -109660.8943 299.3477 -161748.4194 -109294.1973 298.5131 5.4615 38.0006 760707.0160 20.3590 20.4101 PRESSURE: 2903200 188.648 -105.542 95.6237 -105.541 217.44 -218.965 95.6243 -218.964 206.972 GPRESSURE: 2903200 249.473 -121.87 39.2761 -115.792 278.107 -120.439 130.507 -99.6483 179.901 PRESSAVG: 2903200 -1.67623 7.71717 -7.82487 7.7172 40.0912 11.1416 -7.82484 11.1414 2.58414 GPRESSAVG: 2903200 -0.666663 8.77117 -8.75557 6.58821 39.1952 13.3779 -7.83529 10.2916 2.05804 TIMING: 2903200 CPU: 9067.67, 0.00313386/step Wall: 9067.67, 0.00313386/step, 1.8253 hours remaining, 235.781250 MB of memory in use. ENERGY: 2903200 3929.8546 20561.1936 14427.4766 227.0178 -203287.2931 2790.6521 0.0000 0.0000 51866.2516 -109484.8468 298.0761 -161351.0983 -109121.4733 299.1933 204.3535 235.8267 759811.1958 13.6664 13.5289 PRESSURE: 2903400 119.689 74.3944 492.123 74.3932 78.5293 -114.605 492.123 -114.605 191.052 GPRESSURE: 2903400 188.298 9.32006 489.872 -61.9426 132.78 -108.942 482.895 -61.7553 146.75 PRESSAVG: 2903400 -23.9394 -35.699 50.4509 -35.699 19.1317 -41.0655 50.4509 -41.0655 -20.4918 GPRESSAVG: 2903400 -22.9038 -35.3502 51.2369 -34.1784 17.837 -41.557 48.1405 -42.1294 -20.4518 TIMING: 2903400 CPU: 9068.3, 0.00314647/step Wall: 9068.3, 0.00314647/step, 1.83247 hours remaining, 235.781250 MB of memory in use. ENERGY: 2903400 4029.0232 20419.0524 14419.9891 253.8164 -203042.9573 2512.3712 0.0000 0.0000 51834.7239 -109573.9810 297.8949 -161408.7050 -109215.5833 298.8561 129.7566 155.9428 761154.1933 -8.4332 -8.5062 PRESSURE: 2903600 236.862 60.5325 -225.336 60.5307 49.9957 -18.9638 -225.334 -18.9633 255.793 GPRESSURE: 2903600 277.438 39.9751 -262.619 63.8304 -12.7122 26.0992 -97.5866 -69.0092 350.596 PRESSAVG: 2903600 -32.2526 -8.51339 61.8692 -8.51337 19.6419 -16.812 61.8691 -16.8119 23.6315 GPRESSAVG: 2903600 -32.8722 -9.47771 61.1989 -8.31039 20.2023 -17.5482 62.8113 -18.1002 24.1486 TIMING: 2903600 CPU: 9068.93, 0.00314392/step Wall: 9068.93, 0.00314392/step, 1.83081 hours remaining, 235.781250 MB of memory in use. ENERGY: 2903600 3993.8308 20502.8591 14441.9221 229.7124 -203398.9557 2659.2489 0.0000 0.0000 51885.4378 -109685.9446 298.1863 -161571.3824 -109331.0031 298.2781 180.8837 205.1071 759900.4572 3.6736 3.8262 PRESSURE: 2903800 169.753 -94.6491 186.969 -94.6486 239.007 2.10287 186.969 2.10243 130.219 GPRESSURE: 2903800 245.55 -60.0548 166.407 -77.6987 235.859 -7.09274 112.332 51.2084 124.591 PRESSAVG: 2903800 -6.16959 -2.88968 -7.68383 -2.88965 15.4593 -9.61452 -7.68384 -9.61454 11.9675 GPRESSAVG: 2903800 -5.7923 -3.09552 -7.61618 -3.82612 14.7132 -10.9457 -6.27954 -8.32798 12.3756 TIMING: 2903800 CPU: 9069.56, 0.00315266/step Wall: 9069.56, 0.00315266/step, 1.83572 hours remaining, 235.781250 MB of memory in use. ENERGY: 2903800 3941.3171 20500.2240 14504.0854 245.9064 -203620.1960 2783.4941 0.0000 0.0000 52134.5648 -109510.6042 299.6181 -161645.1690 -109141.1965 298.5905 179.6599 201.9999 760789.9277 7.0858 7.0988 PRESSURE: 2904000 29.5554 -58.8652 234.02 -58.8654 -80.7632 83.995 234.02 83.995 -27.5442 GPRESSURE: 2904000 94.8637 56.5453 122.426 -100.895 74.0209 5.62488 135.443 77.8427 -152.127 PRESSAVG: 2904000 -18.6519 -62.3683 10.1565 -62.3683 -45.6754 -42.0794 10.1565 -42.0794 -4.1513 GPRESSAVG: 2904000 -20.4408 -62.1716 10.6293 -61.261 -43.2454 -39.3004 7.91356 -42.4234 -4.32017 TIMING: 2904000 CPU: 9070.19, 0.00316409/step Wall: 9070.19, 0.00316409/step, 1.84221 hours remaining, 235.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2904000 3953.3868 20468.0156 14408.9745 260.8152 -203313.4420 2685.7318 0.0000 0.0000 52270.8224 -109265.6957 300.4011 -161536.5181 -108909.5096 299.4526 -26.2507 5.5859 761761.1696 -22.8262 -22.6688 PRESSURE: 2904200 311.722 54.6289 146.529 54.6292 -119.318 -27.3503 146.529 -27.3501 353.481 GPRESSURE: 2904200 305.351 54.1775 194.232 -6.30028 -34.6425 51.8078 43.3262 86.0663 363.649 PRESSAVG: 2904200 -10.9804 -36.9349 30.4782 -36.9349 30.7475 -34.9447 30.4782 -34.9447 7.57579 GPRESSAVG: 2904200 -9.55784 -35.1508 30.4206 -37.35 30.8425 -37.3558 29.6012 -33.4097 5.78632 TIMING: 2904200 CPU: 9070.82, 0.00313925/step Wall: 9070.82, 0.00313925/step, 1.82757 hours remaining, 235.781250 MB of memory in use. ENERGY: 2904200 3988.7721 20431.2957 14481.9331 259.3464 -203344.5184 2784.8070 0.0000 0.0000 52036.0718 -109362.2922 299.0520 -161398.3640 -108997.6294 299.3971 181.9619 211.4526 760656.0309 9.1143 9.0237 LDB: ============= START OF LOAD BALANCING ============== 9083.3 LDB: ============== END OF LOAD BALANCING =============== 9083.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9083.3 LDB: ============= START OF LOAD BALANCING ============== 9083.62 LDB: Largest compute 7075 load 0.028790 is 14.8% of average load 0.195018 LDB: Average compute 0.004386 is 2.2% of average load 0.195018 LDB: TIME 9083.62 LOAD: AVG 0.195018 MAX 0.214745 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.105 MB LDB: TIME 9083.62 LOAD: AVG 0.195018 MAX 0.214745 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.363 MB LDB: TIME 9083.62 LOAD: AVG 0.195018 MAX 0.214745 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.363 MB LDB: ============== END OF LOAD BALANCING =============== 9083.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9083.63 PRESSURE: 2904400 -373.627 121.559 65.8211 121.559 -356.527 185.148 65.8205 185.147 54.4144 GPRESSURE: 2904400 -306.557 125.036 -37.0348 106.596 -322.298 199.178 126.769 13.6127 57.2162 PRESSAVG: 2904400 -1.81626 13.9322 20.1251 13.9323 5.92951 -45.5402 20.1251 -45.5401 6.59252 GPRESSAVG: 2904400 -1.39233 9.72244 18.9657 15.8146 3.58504 -45.7443 21.9312 -47.3043 8.74877 TIMING: 2904400 CPU: 9071.46, 0.00321118/step Wall: 9071.46, 0.00321118/step, 1.86926 hours remaining, 235.378906 MB of memory in use. ENERGY: 2904400 3989.6862 20563.8923 14460.8633 250.0669 -202529.3631 2188.1310 0.0000 0.0000 52083.4620 -108993.2615 299.3244 -161076.7235 -108630.3085 300.0911 -225.2465 -190.5463 763590.7900 3.5686 3.6472 PRESSURE: 2904600 15.1368 -262.955 104.42 -262.955 115.037 41.917 104.419 41.9186 -225.386 GPRESSURE: 2904600 7.6891 -255.629 67.7466 -55.127 121.316 143.723 76.8757 -79.7059 -142.583 PRESSAVG: 2904600 26.8137 -53.0962 47.9343 -53.0962 -17.6143 -15.2981 47.9343 -15.2982 21.6372 GPRESSAVG: 2904600 25.8752 -50.4494 49.3376 -53.1644 -16.1695 -15.1055 47.7483 -15.0061 21.5444 TIMING: 2904600 CPU: 9072.09, 0.00314269/step Wall: 9072.09, 0.00314269/step, 1.82922 hours remaining, 235.378906 MB of memory in use. ENERGY: 2904600 4012.1378 20657.5269 14351.5009 245.5327 -203058.3477 2720.4489 0.0000 0.0000 51846.3915 -109224.8092 297.9619 -161071.2006 -108867.3112 299.8375 -31.7376 -4.5262 761851.9303 10.2789 10.4167 PRESSURE: 2904800 -198.253 103.164 -31.318 103.164 -3.7007 -11.7578 -31.3179 -11.7574 334.894 GPRESSURE: 2904800 -18.2754 85.6798 -41.6464 137.682 -67.0437 -43.185 -130.7 170.566 288.353 PRESSAVG: 2904800 50.2141 -16.0798 21.1195 -16.0799 -68.0169 -22.4869 21.1194 -22.4869 -16.8793 GPRESSAVG: 2904800 51.0873 -15.132 20.4924 -16.7629 -67.9516 -21.5117 22.1794 -22.3774 -18.1188 TIMING: 2904800 CPU: 9072.72, 0.0031279/step Wall: 9072.72, 0.0031279/step, 1.82044 hours remaining, 235.378906 MB of memory in use. ENERGY: 2904800 4003.7163 20504.8670 14461.7923 253.3141 -202989.2320 2427.0250 0.0000 0.0000 52052.7764 -109285.7410 299.1480 -161338.5174 -108929.3180 299.6056 44.3134 67.6781 761697.3998 -11.5607 -11.6610 PRESSURE: 2905000 125.804 126.519 300.671 126.52 50.722 -73.6635 300.671 -73.6637 -270.515 GPRESSURE: 2905000 174.092 39.8934 285.397 167.49 51.9923 -82.8949 176.737 -58.7483 -237.558 PRESSAVG: 2905000 52.9476 19.3623 -15.8982 19.3623 -80.6896 3.53801 -15.8982 3.53796 -1.7768 GPRESSAVG: 2905000 52.8042 20.6787 -15.0777 16.7326 -81.63 4.96878 -18.1492 4.31605 -0.899275 TIMING: 2905000 CPU: 9073.34, 0.00312417/step Wall: 9073.34, 0.00312417/step, 1.81809 hours remaining, 235.378906 MB of memory in use. ENERGY: 2905000 3951.8053 20393.0442 14499.3605 243.7011 -202713.7214 2474.0890 0.0000 0.0000 52057.9347 -109093.7866 299.1777 -161151.7213 -108724.4879 299.8022 -31.3298 -3.8247 762480.0463 -9.8396 -9.9084 PRESSURE: 2905200 43.8358 -151.099 -191.089 -151.1 -70.2195 -31.115 -191.09 -31.1149 -308.592 GPRESSURE: 2905200 96.7326 -129.743 -172.852 -12.663 -111.36 -45.0148 -196.831 -247.084 -225.028 PRESSAVG: 2905200 5.24034 -35.6442 -29.3407 -35.6442 8.21835 -8.64104 -29.3407 -8.64109 9.60472 GPRESSAVG: 2905200 5.35176 -35.4409 -30.3961 -34.3376 8.30165 -9.42476 -27.3612 -11.1964 8.87271 TIMING: 2905200 CPU: 9073.97, 0.00312784/step Wall: 9073.97, 0.00312784/step, 1.82006 hours remaining, 235.378906 MB of memory in use. ENERGY: 2905200 4038.8371 20370.4403 14463.7631 251.2284 -203010.8887 2650.7368 0.0000 0.0000 51947.9618 -109287.9213 298.5457 -161235.8831 -108915.3449 299.1661 -111.6586 -79.8851 761241.6008 7.6878 7.5087 PRESSURE: 2905400 -291.341 347.248 12.8473 347.248 -0.0508295 189.872 12.8479 189.872 -366.051 GPRESSURE: 2905400 -162.868 370.932 26.2114 282.114 -42.9003 167.462 -178.011 197.034 -349.859 PRESSAVG: 2905400 15.1562 36.6238 30.1233 36.6238 -17.7065 20.6255 30.1233 20.6256 24.8168 GPRESSAVG: 2905400 14.511 34.3315 31.0351 37.1383 -18.0666 20.6212 28.1788 20.8484 25.2587 TIMING: 2905400 CPU: 9074.59, 0.00311845/step Wall: 9074.59, 0.00311845/step, 1.81442 hours remaining, 235.378906 MB of memory in use. ENERGY: 2905400 3993.5536 20460.9666 14389.2479 251.6743 -202679.2455 2487.8455 0.0000 0.0000 51983.2856 -109112.6720 298.7487 -161095.9575 -108754.7900 299.3617 -219.1476 -185.2089 762344.3595 7.4222 7.2344 PRESSURE: 2905600 282.157 -47.358 -221.85 -47.3578 -128 -205.068 -221.851 -205.068 458.457 GPRESSURE: 2905600 304.481 -115.595 -178.313 -29.8085 -66.1421 -99.3442 -56.7473 -138.615 464.013 PRESSAVG: 2905600 -21.8309 -32.0801 29.5801 -32.0802 -15.2836 6.45352 29.5801 6.45349 3.55094 GPRESSAVG: 2905600 -20.8578 -29.9777 30.3246 -32.5776 -14.3381 6.16601 30.9202 9.7149 2.11394 TIMING: 2905600 CPU: 9075.21, 0.00311509/step Wall: 9075.21, 0.00311509/step, 1.81229 hours remaining, 235.378906 MB of memory in use. ENERGY: 2905600 4057.2325 20340.8957 14464.0956 263.9461 -203470.4226 3175.2534 0.0000 0.0000 52059.3268 -109109.6724 299.1857 -161168.9992 -108745.8479 299.4654 204.2047 234.1171 761210.8791 -11.1879 -11.0273 PRESSURE: 2905800 256.632 -364.346 63.0534 -364.346 119.383 -186.978 63.0527 -186.979 291.553 GPRESSURE: 2905800 289.005 -288.718 35.6243 -139.311 174.314 -298.819 62.6184 -108.64 284.55 PRESSAVG: 2905800 17.9718 1.99799 -44.2608 1.99801 -8.97257 20.5287 -44.2608 20.5288 -14.1435 GPRESSAVG: 2905800 18.2454 0.883311 -45.7763 5.66936 -10.16 18.561 -44.3019 18.8735 -13.3275 TIMING: 2905800 CPU: 9075.83, 0.00309683/step Wall: 9075.83, 0.00309683/step, 1.8015 hours remaining, 235.378906 MB of memory in use. ENERGY: 2905800 3998.0046 20489.5133 14409.5917 235.1261 -203315.6743 2849.4506 0.0000 0.0000 52122.1994 -109211.7887 299.5470 -161333.9881 -108843.3457 299.5137 222.5228 249.2898 760711.9062 -1.7148 -1.7474 PRESSURE: 2906000 241.12 75.0028 31.3621 75.0026 -210.469 300.543 31.3607 300.543 181.314 GPRESSURE: 2906000 307.448 -5.79361 56.0665 -95.8371 -156.811 262.784 94.5189 224.356 144.141 PRESSAVG: 2906000 31.2998 -9.00565 -40.9684 -9.00564 -40.9265 11.6079 -40.9684 11.6079 -0.822499 GPRESSAVG: 2906000 29.3032 -8.90215 -38.612 -11.3553 -39.2776 12.3735 -39.9669 11.6162 -0.418932 TIMING: 2906000 CPU: 9076.46, 0.00312187/step Wall: 9076.46, 0.00312187/step, 1.81589 hours remaining, 235.378906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2906000 4007.4452 20424.1490 14489.1990 263.6636 -203399.8070 2845.9893 0.0000 0.0000 52012.1189 -109357.2421 298.9144 -161369.3610 -108997.3963 298.7277 70.6548 98.2596 759472.4074 -3.4830 -3.4644 PRESSURE: 2906200 66.73 277.149 55.0685 277.15 -371.993 92.848 55.0678 92.8495 -344.013 GPRESSURE: 2906200 87.2679 291.924 30.5023 176.291 -341.367 129.38 99.6694 155.763 -305.457 PRESSAVG: 2906200 6.3345 -25.7748 18.2398 -25.7748 -24.4584 59.7567 18.2398 59.7567 -33.1665 GPRESSAVG: 2906200 7.49775 -23.6916 16.6551 -27.9357 -26.0531 60.3278 17.4406 60.8324 -32.7557 TIMING: 2906200 CPU: 9077.08, 0.00313057/step Wall: 9077.08, 0.00313057/step, 1.82077 hours remaining, 235.378906 MB of memory in use. ENERGY: 2906200 4067.3957 20257.8171 14437.0372 265.5979 -202523.7627 2364.7512 0.0000 0.0000 51985.1119 -109146.0517 298.7592 -161131.1636 -108786.4614 299.0640 -216.4254 -186.5186 761516.5800 -17.0968 -17.1037 PRESSURE: 2906400 7.13072 -12.2611 -15.099 -12.2617 -66.7913 52.7728 -15.0992 52.7722 13.6549 GPRESSURE: 2906400 -16.6288 -35.4883 -74.2185 -135.697 -2.87601 44.2032 -65.7343 131.874 69.1324 PRESSAVG: 2906400 53.5695 -3.46994 42.5539 -3.46998 -46.5283 49.5463 42.5538 49.5464 -16.3213 GPRESSAVG: 2906400 53.9306 -6.48482 42.9612 -0.333713 -45.0368 48.5244 44.106 48.923 -17.2317 TIMING: 2906400 CPU: 9077.71, 0.00312739/step Wall: 9077.71, 0.00312739/step, 1.81875 hours remaining, 235.378906 MB of memory in use. ENERGY: 2906400 3984.5739 20529.7500 14453.5105 250.8110 -202681.8429 2456.2377 0.0000 0.0000 52022.1690 -108984.7909 298.9721 -161006.9599 -108622.5478 299.4606 -15.3352 16.5425 763632.8422 -3.0933 -2.7793 PRESSURE: 2906600 71.6951 -117.061 83.1535 -117.06 -146.374 -82.4946 83.1548 -82.4945 194.169 GPRESSURE: 2906600 113.126 -45.2294 8.72796 -46.6954 -160.86 -122.607 28.4264 -136.331 235.259 PRESSAVG: 2906600 -1.4993 -34.1139 36.5826 -34.1138 -50.3915 -13.9186 36.5826 -13.9186 6.25531 GPRESSAVG: 2906600 -0.661595 -32.1291 36.0057 -34.7714 -51.3125 -13.321 36.9107 -13.2796 5.53256 TIMING: 2906600 CPU: 9078.33, 0.00311816/step Wall: 9078.33, 0.00311816/step, 1.81321 hours remaining, 235.378906 MB of memory in use. ENERGY: 2906600 3889.6470 20418.4145 14413.4168 253.6854 -203239.6044 2894.8346 0.0000 0.0000 52294.5947 -109075.0114 300.5378 -161369.6061 -108700.2148 299.5336 39.8299 62.5083 761697.7193 -15.2118 -15.4805 PRESSURE: 2906800 16.1175 79.4612 71.9516 79.4614 46.8644 241.094 71.951 241.093 -271.805 GPRESSURE: 2906800 -34.5729 -107.371 40.7117 25.5975 130.392 205.983 222.576 200.124 -212.605 PRESSAVG: 2906800 91.5497 44.6217 27.3466 44.6218 -88.2236 2.41519 27.3466 2.41521 9.82142 GPRESSAVG: 2906800 91.7398 42.4586 27.8342 43.9036 -89.9232 4.34204 26.2374 0.207501 11.2278 TIMING: 2906800 CPU: 9078.95, 0.00311622/step Wall: 9078.95, 0.00311622/step, 1.81191 hours remaining, 235.378906 MB of memory in use. ENERGY: 2906800 3998.2037 20346.0802 14405.7908 247.4293 -202863.1235 2618.4772 0.0000 0.0000 52351.8052 -108895.3370 300.8665 -161247.1422 -108531.5761 300.4227 -69.6078 -38.9287 763190.2430 4.3825 4.3482 PRESSURE: 2907000 129.088 -21.1921 73.3935 -21.1932 -169.29 170.288 73.3938 170.288 397.896 GPRESSURE: 2907000 257.541 -5.20982 41.6267 87.4345 -237.412 169.516 -42.0222 128.508 434.025 PRESSAVG: 2907000 27.3792 -24.6066 32.1584 -24.6065 -64.5467 -7.21469 32.1584 -7.21467 10.6425 GPRESSAVG: 2907000 26.7848 -21.1769 32.1477 -26.2003 -63.5943 -9.72987 31.338 -4.99216 10.437 TIMING: 2907000 CPU: 9079.58, 0.00313122/step Wall: 9079.58, 0.00313122/step, 1.82045 hours remaining, 235.378906 MB of memory in use. ENERGY: 2907000 4051.0379 20282.8554 14436.4986 259.7384 -203029.4196 2651.0815 0.0000 0.0000 52548.9249 -108799.2829 301.9994 -161348.2078 -108449.3308 300.5793 119.2312 151.3844 761656.8810 -8.8417 -8.7908 PRESSURE: 2907200 -444.266 -118.883 -134.27 -118.883 -61.5769 -125.327 -134.271 -125.327 -57.4357 GPRESSURE: 2907200 -462.571 -185.735 -141.49 -213.743 -44.0762 -51.72 -216.762 -117.275 18.9353 PRESSAVG: 2907200 5.49965 -17.648 26.8559 -17.648 -11.4241 -18.4087 26.8559 -18.4087 -14.4494 GPRESSAVG: 2907200 5.45821 -18.9778 26.5584 -15.9919 -11.1632 -16.1364 27.8278 -20.0722 -14.7548 TIMING: 2907200 CPU: 9080.21, 0.00313673/step Wall: 9080.21, 0.00313673/step, 1.82349 hours remaining, 235.378906 MB of memory in use. ENERGY: 2907200 4062.9546 20483.1914 14405.9758 256.0604 -203099.6971 2431.8454 0.0000 0.0000 52481.1645 -108978.5051 301.6100 -161459.6696 -108619.7574 300.8712 -187.7597 -162.5708 762402.1703 -6.7913 -6.8199 PRESSURE: 2907400 261.97 -3.72924 -4.95814 -3.72864 191.008 -437.505 -4.95818 -437.504 171.074 GPRESSURE: 2907400 253.49 16.4564 -32.9971 -17.5004 313.891 -488.711 -7.67223 -342.7 136.165 PRESSAVG: 2907400 -32.0596 19.3509 -0.85749 19.351 30.376 -34.8681 -0.857503 -34.868 10.3634 GPRESSAVG: 2907400 -32.3631 19.7361 0.157119 19.806 29.3436 -37.3062 -2.68135 -34.6816 11.2127 TIMING: 2907400 CPU: 9080.83, 0.00312565/step Wall: 9080.83, 0.00312565/step, 1.81687 hours remaining, 235.378906 MB of memory in use. ENERGY: 2907400 4068.1563 20452.8364 14420.6574 254.3494 -203242.7314 2747.9632 0.0000 0.0000 52385.2243 -108913.5445 301.0586 -161298.7688 -108544.1308 300.5690 208.0171 234.5153 762549.4266 2.8933 2.7311 PRESSURE: 2907600 -339.642 -88.8242 -104.023 -88.8249 -348.088 34.8086 -104.025 34.8084 -29.817 GPRESSURE: 2907600 -245.199 -39.5427 -33.0446 -55.8897 -333.204 70.4179 -178.707 -0.65937 -54.0513 PRESSAVG: 2907600 13.4351 7.4108 -31.4475 7.41077 -0.206856 44.4162 -31.4474 44.4162 3.48561 GPRESSAVG: 2907600 13.839 5.4732 -32.0926 8.39533 0.0873933 46.3623 -30.3027 45.0628 3.10574 TIMING: 2907600 CPU: 9081.46, 0.00311976/step Wall: 9081.46, 0.00311976/step, 1.81327 hours remaining, 235.378906 MB of memory in use. ENERGY: 2907600 4011.8977 20443.8251 14368.2800 252.7536 -202712.8353 2380.3949 0.0000 0.0000 52263.1218 -108992.5622 300.3569 -161255.6840 -108620.0163 300.2131 -239.1823 -210.8181 763318.9627 5.5713 5.6774 PRESSURE: 2907800 -466.549 -15.9782 50.4655 -15.9775 275.163 213.835 50.4652 213.836 -198.86 GPRESSURE: 2907800 -322.295 69.641 45.7785 6.66004 198.606 273.146 126.065 127.99 -187.897 PRESSAVG: 2907800 26.0341 6.28698 -33.8479 6.2869 -34.9795 17.2871 -33.8479 17.2871 4.00464 GPRESSAVG: 2907800 24.3485 8.21454 -34.4248 4.77833 -33.2908 17.1863 -33.8357 17.8448 4.24113 TIMING: 2907800 CPU: 9082.08, 0.00311945/step Wall: 9082.08, 0.00311945/step, 1.81292 hours remaining, 235.378906 MB of memory in use. ENERGY: 2907800 4009.7052 20452.5995 14491.1561 254.0499 -203272.9689 2708.5524 0.0000 0.0000 52019.3199 -109337.5859 298.9557 -161356.9058 -108978.3932 299.1160 -130.0819 -103.8622 763475.3250 -1.6469 -1.5671 PRESSURE: 2908000 -186.923 -81.3639 292.465 -81.3639 -143.385 69.4004 292.465 69.4008 174.358 GPRESSURE: 2908000 -166.97 -109.878 273.102 -73.5191 -121.713 162.627 369.632 36.6308 212.799 PRESSAVG: 2908000 -27.8498 -45.7324 -24.6571 -45.7324 41.7416 7.05182 -24.6571 7.05172 -18.0185 GPRESSAVG: 2908000 -25.8739 -45.1825 -23.283 -45.2381 40.5297 7.56757 -25.1129 5.30513 -18.9026 TIMING: 2908000 CPU: 9082.71, 0.00313452/step Wall: 9082.71, 0.00313452/step, 1.82151 hours remaining, 235.378906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2908000 4041.2547 20473.0205 14417.9882 261.2894 -203061.7407 2654.7615 0.0000 0.0000 52012.5817 -109200.8447 298.9170 -161213.4264 -108848.8828 299.3596 -51.9833 -25.2949 763790.3829 -1.3756 -1.4156 PRESSURE: 2908200 -285.778 -101.253 -55.9132 -101.253 -193.037 -109.052 -55.9133 -109.052 93.8976 GPRESSURE: 2908200 -230.205 -87.3942 -106.157 -142.808 -129.164 -94.8529 -51.049 -186.469 60.1194 PRESSAVG: 2908200 -35.0727 -53.9451 7.61123 -53.9452 23.2139 -14.7639 7.61121 -14.7639 -18.2702 GPRESSAVG: 2908200 -34.989 -55.604 6.47196 -54.4536 23.7379 -14.9459 8.59847 -13.6162 -18.7619 TIMING: 2908200 CPU: 9083.33, 0.0031305/step Wall: 9083.33, 0.0031305/step, 1.81899 hours remaining, 235.378906 MB of memory in use. ENERGY: 2908200 4009.5773 20512.5078 14430.2296 248.6473 -202989.5679 2534.4582 0.0000 0.0000 52061.4496 -109192.6982 299.1979 -161254.1477 -108826.5456 299.3878 -128.3061 -99.7500 763310.7096 -10.0430 -10.0043 LDB: ============= START OF LOAD BALANCING ============== 9095.81 LDB: ============== END OF LOAD BALANCING =============== 9095.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9095.82 LDB: ============= START OF LOAD BALANCING ============== 9096.13 LDB: Largest compute 7075 load 0.030949 is 15.9% of average load 0.195116 LDB: Average compute 0.004396 is 2.3% of average load 0.195116 LDB: TIME 9096.13 LOAD: AVG 0.195116 MAX 0.215839 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.84 MB LDB: TIME 9096.13 LOAD: AVG 0.195116 MAX 0.215839 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.043 MB LDB: TIME 9096.13 LOAD: AVG 0.195116 MAX 0.215839 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.043 MB LDB: ============== END OF LOAD BALANCING =============== 9096.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9096.14 PRESSURE: 2908400 -142.414 -115.704 -255.713 -115.703 -77.5724 24.1616 -255.711 24.1605 -95.5831 GPRESSURE: 2908400 -109.705 -94.3869 -138.491 -21.8131 -22.6937 -94.4638 -273.858 -146.747 -84.5421 PRESSAVG: 2908400 -4.54959 -4.8953 -49.8083 -4.89523 47.7269 9.58649 -49.8082 9.58643 22.5869 GPRESSAVG: 2908400 -5.67853 -2.36204 -49.2853 -5.11838 48.147 9.7079 -50.4789 7.94589 22.9547 TIMING: 2908400 CPU: 9083.98, 0.00320579/step Wall: 9083.98, 0.00320579/step, 1.86256 hours remaining, 233.894531 MB of memory in use. ENERGY: 2908400 4003.5630 20355.3435 14427.0747 246.4423 -203113.5804 2639.6122 0.0000 0.0000 52173.2903 -109268.2543 299.8406 -161441.5446 -108901.0124 299.6269 -105.1899 -72.3136 761425.1565 21.9214 21.8077 PRESSURE: 2908600 85.643 131.424 -122.056 131.425 -182.002 -37.8195 -122.056 -37.8209 223.093 GPRESSURE: 2908600 102.465 157.316 -111.892 77.2908 -163.994 -97.9529 -90.8737 -48.5367 269.248 PRESSAVG: 2908600 33.7965 -7.99364 -7.70377 -7.99371 -56.3515 -21.4548 -7.70387 -21.4547 16.0754 GPRESSAVG: 2908600 33.3797 -11.492 -8.35715 -6.08464 -56.8637 -22.3064 -6.18509 -19.2486 16.836 TIMING: 2908600 CPU: 9084.6, 0.00314662/step Wall: 9084.6, 0.00314662/step, 1.82801 hours remaining, 233.894531 MB of memory in use. ENERGY: 2908600 4020.0515 20578.1147 14403.0536 243.4184 -203371.9931 2727.8279 0.0000 0.0000 52232.2252 -109167.3018 300.1793 -161399.5270 -108814.4167 299.4595 42.2448 69.2398 762137.6978 -2.1599 -2.2160 PRESSURE: 2908800 296.827 -76.0842 96.8784 -76.0851 65.3288 -65.0129 96.8786 -65.0128 263.01 GPRESSURE: 2908800 300.698 -49.8715 109.019 -74.5001 166.782 -23.6601 -30.4815 -140.945 224.314 PRESSAVG: 2908800 -2.40887 -23.1981 -37.3095 -23.1982 -16.1152 -41.5381 -37.3095 -41.5382 -20.4989 GPRESSAVG: 2908800 -1.81676 -22.0061 -37.5065 -23.8655 -16.5185 -41.8589 -38.8039 -41.1392 -20.7656 TIMING: 2908800 CPU: 9085.23, 0.00313227/step Wall: 9085.23, 0.00313227/step, 1.8195 hours remaining, 233.894531 MB of memory in use. ENERGY: 2908800 3931.5519 20549.5500 14378.9991 244.9650 -203066.1289 2831.0586 0.0000 0.0000 52060.4518 -109069.5527 299.1921 -161130.0044 -108714.1155 299.7995 208.3888 230.5982 762355.9436 -13.0077 -13.0336 PRESSURE: 2909000 -197.07 24.7087 -22.86 24.7077 -66.2811 43.449 -22.8598 43.4492 -453.67 GPRESSURE: 2909000 -180.899 161.019 -19.0198 -21.0499 -12.5728 -24.8023 -71.38 62.1673 -447.117 PRESSAVG: 2909000 80.9646 -32.8156 -59.5994 -32.8156 -27.1567 -20.5204 -59.5994 -20.5205 13.1589 GPRESSAVG: 2909000 79.8515 -31.9223 -58.8435 -35.0555 -26.187 -20.4145 -59.6801 -21.4283 12.9093 TIMING: 2909000 CPU: 9085.86, 0.00312991/step Wall: 9085.86, 0.00312991/step, 1.81796 hours remaining, 233.894531 MB of memory in use. ENERGY: 2909000 4034.6493 20339.8087 14334.2089 251.5171 -202404.5878 2304.9971 0.0000 0.0000 52000.0722 -109139.3343 298.8451 -161139.4066 -108785.7366 299.3439 -239.0070 -213.5295 762756.9063 22.3223 22.1912 PRESSURE: 2909200 161.52 -44.25 38.0646 -44.2499 89.9103 -72.388 38.0646 -72.388 55.6445 GPRESSURE: 2909200 214.011 -77.1689 71.5418 -53.8042 125.895 -13.1896 -11.5696 -173.029 43.835 PRESSAVG: 2909200 6.56995 -35.9137 31.9375 -35.9137 -20.4076 1.28003 31.9375 1.28001 -4.97075 GPRESSAVG: 2909200 7.90713 -36.8121 30.6187 -34.4236 -21.7413 2.48244 33.1627 2.05762 -5.41896 TIMING: 2909200 CPU: 9086.48, 0.00311989/step Wall: 9086.48, 0.00311989/step, 1.81196 hours remaining, 233.894531 MB of memory in use. ENERGY: 2909200 3950.7619 20438.9630 14429.2333 224.3719 -202938.1383 2610.2200 0.0000 0.0000 52067.1696 -109217.4186 299.2307 -161284.5882 -108855.4391 299.2065 102.3584 127.9138 762708.8201 -6.2695 -6.4177 PRESSURE: 2909400 211.905 -8.59005 -59.6926 -8.58985 -215.037 -10.4281 -59.6925 -10.428 26.634 GPRESSURE: 2909400 213.804 -80.4056 5.00777 -6.67921 -142.185 -168.37 1.86394 135.96 31.5032 PRESSAVG: 2909400 -5.73339 -38.7299 -15.3891 -38.73 -56.2592 14.8072 -15.389 14.8071 -21.8751 GPRESSAVG: 2909400 -7.2706 -37.57 -13.9283 -37.5963 -55.6551 13.8722 -14.7332 15.7447 -21.1565 TIMING: 2909400 CPU: 9087.11, 0.00312502/step Wall: 9087.11, 0.00312502/step, 1.81477 hours remaining, 233.894531 MB of memory in use. ENERGY: 2909400 3905.6299 20658.0537 14469.3912 273.7156 -202686.6489 2228.9538 0.0000 0.0000 51685.3349 -109465.5698 297.0363 -161150.9047 -109114.6190 299.0727 7.8342 34.3743 762848.0773 -27.9559 -28.0274 PRESSURE: 2909600 -18.3351 159.391 -69.6312 159.392 -68.1613 115.332 -69.6305 115.332 91.2909 GPRESSURE: 2909600 -35.1535 246.081 -125.274 56.8334 -12.6975 80.4367 28.1438 137.155 138.912 PRESSAVG: 2909600 30.7862 28.5041 -59.1534 28.5042 46.1212 5.10246 -59.1533 5.10253 5.97407 GPRESSAVG: 2909600 31.6816 28.167 -59.0801 25.9575 46.2323 7.14324 -59.3658 2.81273 5.85442 TIMING: 2909600 CPU: 9087.73, 0.00313276/step Wall: 9087.73, 0.00313276/step, 1.81909 hours remaining, 233.894531 MB of memory in use. ENERGY: 2909600 3962.5338 20518.3194 14449.9261 250.2060 -202861.4017 2303.6165 0.0000 0.0000 52050.4932 -109326.3067 299.1349 -161376.7999 -108967.1692 298.8954 1.5982 30.3537 761659.0870 27.6271 27.9228 PRESSURE: 2909800 90.0214 -264.235 50.0991 -264.235 200.101 115.193 50.0992 115.193 -130.652 GPRESSURE: 2909800 89.5591 -183.151 107.336 -211.799 277.902 114.329 33.261 159.677 -115.966 PRESSAVG: 2909800 0.952333 39.7917 -0.349243 39.7917 -54.0736 -21.5716 -0.349267 -21.5717 -34.2283 GPRESSAVG: 2909800 0.797802 37.2929 -1.1953 41.0364 -54.3593 -22.5998 -1.75822 -21.1906 -34.0963 TIMING: 2909800 CPU: 9088.36, 0.00312127/step Wall: 9088.36, 0.00312127/step, 1.81225 hours remaining, 233.894531 MB of memory in use. ENERGY: 2909800 3995.4623 20353.4273 14509.5815 248.6601 -202898.9516 2424.4890 0.0000 0.0000 52133.1551 -109234.1761 299.6100 -161367.3313 -108875.4910 299.6585 53.1567 83.8318 761521.2614 -29.1165 -29.2193 PRESSURE: 2910000 -192.962 -138.784 -85.4118 -138.785 121.303 101.469 -85.4129 101.469 -110.728 GPRESSURE: 2910000 -161.071 -81.52 -112.295 -9.88916 95.1156 43.6407 -74.5561 101.652 -40.1596 PRESSAVG: 2910000 17.1047 -40.4957 -16.6916 -40.4957 -23.0668 33.4446 -16.6917 33.4446 9.13995 GPRESSAVG: 2910000 17.1539 -38.7953 -17.9432 -40.4767 -22.8054 34.5855 -15.2787 33.6634 9.07848 TIMING: 2910000 CPU: 9088.99, 0.0031406/step Wall: 9088.99, 0.0031406/step, 1.82329 hours remaining, 233.894531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2910000 3883.7122 20691.2089 14352.0790 272.1192 -202759.5045 2209.9421 0.0000 0.0000 52039.6226 -109310.8205 299.0724 -161350.4430 -108958.2512 299.3807 -60.7958 -35.3717 762726.2056 1.0593 1.1423 PRESSURE: 2910200 22.4759 -36.3432 250.028 -36.3426 -70.0804 99.0525 250.028 99.0523 234.686 GPRESSURE: 2910200 26.3426 4.32004 314.26 -183.578 34.9601 86.0288 192.592 32.7701 201.574 PRESSAVG: 2910200 0.522357 -19.4491 28.8382 -19.4491 -6.87858 -32.0667 28.8382 -32.0666 16.4567 GPRESSAVG: 2910200 1.85975 -20.1597 31.0643 -20.4045 -7.26189 -32.568 27.1664 -32.6572 15.8138 TIMING: 2910200 CPU: 9089.61, 0.00314447/step Wall: 9089.61, 0.00314447/step, 1.82536 hours remaining, 233.894531 MB of memory in use. ENERGY: 2910200 4020.2369 20449.4285 14441.2771 244.2874 -203234.0319 2721.2313 0.0000 0.0000 51827.7130 -109529.8578 297.8546 -161357.5708 -109168.9288 298.3699 62.3606 87.6255 761870.8328 3.3668 3.4706 PRESSURE: 2910400 -164.153 -8.22364 -138.14 -8.22321 110.525 30.3297 -138.141 30.3311 -122.435 GPRESSURE: 2910400 -156.06 52.0755 -116.714 -6.00643 106.254 49.2246 -64.6342 137.023 -27.148 PRESSAVG: 2910400 14.0456 -28.3063 10.9758 -28.3063 29.7879 3.03257 10.9758 3.03258 -2.38294 GPRESSAVG: 2910400 12.4636 -28.0427 8.36549 -28.7376 30.334 0.494264 14.5242 4.93001 -0.764668 TIMING: 2910400 CPU: 9090.24, 0.00313522/step Wall: 9090.24, 0.00313522/step, 1.81982 hours remaining, 233.894531 MB of memory in use. ENERGY: 2910400 4041.6308 20469.5605 14435.0817 244.4606 -203278.9324 2561.8925 0.0000 0.0000 52114.9147 -109411.3917 299.5051 -161526.3064 -109054.0943 298.5167 -58.6878 -25.6513 763236.3261 13.8168 14.0110 PRESSURE: 2910600 -30.3303 151.207 -92.4382 151.208 114.584 109.211 -92.4384 109.212 400.689 GPRESSURE: 2910600 5.62235 103.345 -22.8757 71.6188 192.419 85.4304 -150.904 68.2115 367.506 PRESSAVG: 2910600 5.16328 23.3536 49.9929 23.3537 -53.3192 27.7394 49.993 27.7394 -17.5971 GPRESSAVG: 2910600 5.96818 22.0827 52.985 25.1155 -53.9652 30.581 46.8277 26.8129 -17.3139 TIMING: 2910600 CPU: 9090.87, 0.00314108/step Wall: 9090.87, 0.00314108/step, 1.82305 hours remaining, 233.894531 MB of memory in use. ENERGY: 2910600 3965.8854 20469.4419 14437.8631 253.5994 -203306.4727 2784.6944 0.0000 0.0000 51990.2331 -109404.7554 298.7886 -161394.9885 -109039.4549 299.0531 161.6473 188.5158 763355.4339 -21.9177 -21.7703 PRESSURE: 2910800 -99.1022 -278.477 -19.3528 -278.476 176.738 255.955 -19.3523 255.954 -87.9778 GPRESSURE: 2910800 -78.117 -278.927 45.0258 -227.81 229.98 236.071 -58.1798 156.381 -81.1753 PRESSAVG: 2910800 -24.5337 -39.1193 28.0392 -39.1193 72.2556 53.8696 28.0393 53.8697 -0.571451 GPRESSAVG: 2910800 -25.5814 -35.9882 26.4394 -39.7205 73.504 55.0507 28.1685 51.8216 -1.02578 TIMING: 2910800 CPU: 9091.5, 0.00313436/step Wall: 9091.5, 0.00313436/step, 1.81897 hours remaining, 233.894531 MB of memory in use. ENERGY: 2910800 3994.1286 20583.4880 14433.6805 248.7361 -203276.2892 2732.4927 0.0000 0.0000 52005.4267 -109278.3365 298.8759 -161283.7633 -108918.4685 299.0179 -3.4474 23.5625 764225.0709 15.7168 15.6323 PRESSURE: 2911000 -227.914 71.5966 -49.622 71.5964 -48.0151 -455.846 -49.6225 -455.845 -296.165 GPRESSURE: 2911000 -107.89 34.863 17.1754 30.8094 -10.9272 -354.653 60.2304 -438.697 -350.788 PRESSAVG: 2911000 -21.2716 -40.2784 1.5546 -40.2783 29.0061 -32.3611 1.55457 -32.3611 -5.70739 GPRESSAVG: 2911000 -19.7425 -40.4397 2.95879 -40.6027 28.4068 -33.6563 2.4096 -32.5695 -6.47768 TIMING: 2911000 CPU: 9092.12, 0.00312512/step Wall: 9092.12, 0.00312512/step, 1.81344 hours remaining, 233.894531 MB of memory in use. ENERGY: 2911000 3967.4614 20421.8498 14349.2064 267.8865 -203067.1469 2722.6005 0.0000 0.0000 52106.7310 -109231.4112 299.4581 -161338.1423 -108871.3386 299.3127 -190.6980 -156.5350 763905.2865 0.6757 0.7289 PRESSURE: 2911200 -308.981 -164.538 176.76 -164.538 116.499 -49.0006 176.76 -49.0005 58.5303 GPRESSURE: 2911200 -247.47 -115.353 102.434 -101.233 193.028 -54.3468 95.4163 96.0726 -5.80371 PRESSAVG: 2911200 -11.9669 -0.633942 14.6587 -0.633976 30.8442 -16.2303 14.6587 -16.2304 2.77712 GPRESSAVG: 2911200 -11.4107 -3.18099 13.2835 1.09179 30.4076 -18.1605 15.0955 -13.422 2.84965 TIMING: 2911200 CPU: 9092.75, 0.00312133/step Wall: 9092.75, 0.00312133/step, 1.81106 hours remaining, 233.894531 MB of memory in use. ENERGY: 2911200 3881.9959 20531.5878 14407.1571 245.2491 -202948.6836 2552.1861 0.0000 0.0000 52221.0362 -109109.4714 300.1150 -161330.5076 -108740.8665 299.3153 -44.6506 -20.0818 762421.1348 7.2182 7.2822 PRESSURE: 2911400 63.5425 13.1552 -52.4751 13.155 -9.08067 239.154 -52.4748 239.156 163.034 GPRESSURE: 2911400 85.6243 111.277 44.3793 -4.03969 61.7159 205.223 52.0848 163.835 164.338 PRESSAVG: 2911400 -28.157 -34.6382 -25.0443 -34.6381 12.8671 29.5255 -25.0444 29.5255 -21.9671 GPRESSAVG: 2911400 -29.482 -33.6803 -24.5951 -36.6809 13.2287 27.8806 -24.3227 29.7173 -20.9774 TIMING: 2911400 CPU: 9093.37, 0.00310358/step Wall: 9093.37, 0.00310358/step, 1.80059 hours remaining, 233.894531 MB of memory in use. ENERGY: 2911400 3984.8846 20483.5568 14417.8825 267.8782 -203016.2198 2644.6667 0.0000 0.0000 52105.3587 -109111.9923 299.4502 -161217.3510 -108758.5512 299.0981 72.4986 103.8929 762003.4939 -12.4190 -12.4103 PRESSURE: 2911600 32.745 -79.1177 -191.934 -79.1174 35.3704 -177.878 -191.935 -177.878 327.61 GPRESSURE: 2911600 52.7564 -40.4465 -177.559 58.0221 144.581 -126 -106.152 -213.692 278.457 PRESSAVG: 2911600 3.54485 15.1058 71.7304 15.1059 4.36835 -37.3858 71.7305 -37.3857 1.45272 GPRESSAVG: 2911600 2.9063 16.9902 71.5632 15.8194 5.37241 -35.4744 71.0736 -39.7849 1.30086 TIMING: 2911600 CPU: 9093.99, 0.00311352/step Wall: 9093.99, 0.00311352/step, 1.80619 hours remaining, 233.894531 MB of memory in use. ENERGY: 2911600 3952.2250 20620.9043 14445.6876 244.1463 -203042.9440 2646.5393 0.0000 0.0000 52158.5366 -108974.9048 299.7558 -161133.4415 -108612.8529 300.1608 131.9084 158.5982 763499.4259 3.1220 3.1932 PRESSURE: 2911800 -230.897 -49.522 -154.904 -49.5226 -158.344 41.9485 -154.905 41.9477 -82.894 GPRESSURE: 2911800 -96.999 28.002 -170.417 -42.0564 -225.409 7.94326 -181.344 79.2089 -70.9493 PRESSAVG: 2911800 -38.2181 -4.92518 2.93651 -4.92525 2.22233 4.41602 2.93652 4.416 3.76103 GPRESSAVG: 2911800 -37.1242 -5.17413 2.45606 -6.14109 2.06552 4.25242 2.47143 5.78135 2.83725 TIMING: 2911800 CPU: 9094.61, 0.00311762/step Wall: 9094.61, 0.00311762/step, 1.80839 hours remaining, 233.894531 MB of memory in use. ENERGY: 2911800 3912.3853 20656.2078 14400.6600 258.6417 -202947.5718 2428.6833 0.0000 0.0000 52158.8070 -109132.1867 299.7574 -161290.9937 -108766.2138 300.1689 -157.3782 -131.1192 762441.6186 -10.7449 -10.7405 PRESSURE: 2912000 -162.401 71.4599 18.6008 71.4616 281.691 278.986 18.6012 278.986 -45.5739 GPRESSURE: 2912000 -117.175 59.4745 -54.0385 57.7405 269.223 224.819 -84.6806 219.944 -10.2393 PRESSAVG: 2912000 -54.4643 8.04687 13.9575 8.04686 10.828 0.612291 13.9575 0.612273 17.3247 GPRESSAVG: 2912000 -52.807 8.17943 15.3922 8.79957 8.8398 1.49348 14.1052 -2.07268 18.0045 TIMING: 2912000 CPU: 9095.24, 0.00312144/step Wall: 9095.24, 0.00312144/step, 1.81043 hours remaining, 233.894531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2912000 3965.9425 20518.6295 14351.3916 240.1959 -202817.1491 2444.6121 0.0000 0.0000 51950.5919 -109345.7858 298.5608 -161296.3776 -108989.0636 299.5094 24.5721 47.2695 761549.7769 -8.7705 -8.6542 PRESSURE: 2912200 169.931 236.645 -116.89 236.645 -132.29 177.218 -116.889 177.217 -55.5464 GPRESSURE: 2912200 215.101 210.138 -3.06064 249.264 -117.016 163.336 8.66569 226.081 -29.7459 PRESSAVG: 2912200 -50.0032 15.3987 8.20619 15.3987 29.3906 -35.1063 8.20618 -35.1062 -10.8989 GPRESSAVG: 2912200 -50.7875 16.266 6.11736 12.8649 29.6592 -36.2272 8.52218 -33.1333 -11.2017 TIMING: 2912200 CPU: 9095.86, 0.00311391/step Wall: 9095.86, 0.00311391/step, 1.8059 hours remaining, 233.894531 MB of memory in use. ENERGY: 2912200 3988.0332 20566.0030 14344.6164 260.6355 -202986.1332 2511.6795 0.0000 0.0000 51893.6106 -109421.5550 298.2333 -161315.1656 -109061.3281 299.5025 -5.9685 22.7797 760648.7333 -10.5039 -10.7766 LDB: ============= START OF LOAD BALANCING ============== 9108.34 LDB: ============== END OF LOAD BALANCING =============== 9108.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9108.34 LDB: ============= START OF LOAD BALANCING ============== 9108.65 LDB: Largest compute 7030 load 0.029204 is 15.0% of average load 0.195066 LDB: Average compute 0.004394 is 2.3% of average load 0.195066 LDB: TIME 9108.66 LOAD: AVG 0.195066 MAX 0.215074 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.387 MB LDB: TIME 9108.66 LOAD: AVG 0.195066 MAX 0.215074 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.387 MB LDB: TIME 9108.66 LOAD: AVG 0.195066 MAX 0.215074 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.387 MB LDB: ============== END OF LOAD BALANCING =============== 9108.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9108.66 PRESSURE: 2912400 34.7139 -42.9088 149.261 -42.9082 3.18227 6.9976 149.261 6.99823 34.9297 GPRESSURE: 2912400 -12.8257 76.3392 131.023 -100.239 61.3653 -4.49372 80.7005 -8.33898 91.0352 PRESSAVG: 2912400 5.67647 19.2443 3.98585 19.2444 -0.294348 -20.7689 3.98582 -20.769 2.73934 GPRESSAVG: 2912400 4.40874 17.2134 4.33291 20.6706 0.714103 -21.0762 2.59419 -20.4006 2.43022 TIMING: 2912400 CPU: 9096.5, 0.00319457/step Wall: 9096.5, 0.00319457/step, 1.8525 hours remaining, 234.871094 MB of memory in use. ENERGY: 2912400 3936.2074 20636.4358 14410.8466 240.6172 -203170.1080 2504.1365 0.0000 0.0000 51964.4918 -109477.3727 298.6406 -161441.8645 -109132.3924 299.0350 24.2753 46.5249 761106.5536 2.7072 2.5177 PRESSURE: 2912600 99.0444 54.7044 95.5876 54.704 219.496 187.279 95.587 187.28 137.205 GPRESSURE: 2912600 132.338 77.6875 133.756 15.8981 208.488 198.1 177.839 -43.9525 203.244 PRESSAVG: 2912600 2.82612 18.7023 -8.85373 18.7024 14.4064 -22.4432 -8.8537 -22.4432 -3.50929 GPRESSAVG: 2912600 3.45982 19.2291 -7.97165 20.048 12.7563 -22.6544 -8.48111 -23.2046 -2.52202 TIMING: 2912600 CPU: 9097.13, 0.00313583/step Wall: 9097.13, 0.00313583/step, 1.81826 hours remaining, 234.871094 MB of memory in use. ENERGY: 2912600 3978.0151 20515.5869 14395.8211 227.6162 -203328.8572 2654.9741 0.0000 0.0000 52051.5678 -109505.2761 299.1411 -161556.8438 -109141.2869 299.5224 151.9151 181.3565 761552.8197 4.5744 4.5647 PRESSURE: 2912800 -401.136 -3.76058 -36.5132 -3.76074 24.293 -70.5181 -36.5128 -70.5183 363.314 GPRESSURE: 2912800 -306.413 69.6666 -135.793 33.6486 46.274 -70.53 -127.092 -9.68915 326.882 PRESSAVG: 2912800 -9.66512 5.99315 15.6563 5.99319 28.4989 20.5033 15.6563 20.5033 0.675648 GPRESSAVG: 2912800 -11.5641 2.60069 14.4052 8.94391 28.8217 20.2713 15.5621 21.1704 2.01483 TIMING: 2912800 CPU: 9097.75, 0.00312625/step Wall: 9097.75, 0.00312625/step, 1.81253 hours remaining, 234.871094 MB of memory in use. ENERGY: 2912800 3951.9772 20623.4997 14377.4362 233.8454 -203380.0563 2419.5845 0.0000 0.0000 52343.1022 -109430.6112 300.8165 -161773.7134 -109052.7215 299.1565 -4.5097 22.2476 760826.9271 6.5032 6.4241 PRESSURE: 2913000 162.582 -10.2021 167.09 -10.2024 227.818 -79.6844 167.091 -79.6851 150.378 GPRESSURE: 2913000 254.605 43.1508 69.8532 -58.9506 281.444 -12.852 91.0321 -95.7204 94.9089 PRESSAVG: 2913000 -3.53013 33.0977 12.2185 33.0977 3.97119 -30.6557 12.2185 -30.6557 30.7492 GPRESSAVG: 2913000 -1.6604 34.709 14.4142 28.3979 5.56303 -29.7163 13.0263 -30.5265 28.2671 TIMING: 2913000 CPU: 9098.38, 0.0031423/step Wall: 9098.38, 0.0031423/step, 1.82166 hours remaining, 234.871094 MB of memory in use. ENERGY: 2913000 3983.4959 20597.9423 14388.1146 236.0493 -203466.8789 2790.9492 0.0000 0.0000 51975.4678 -109494.8597 298.7037 -161470.3275 -109138.0048 299.4593 180.2589 210.3191 760298.7073 10.3968 10.7232 PRESSURE: 2913200 -80.7359 -212.472 -220.669 -212.473 137.838 -7.03525 -220.668 -7.03562 -7.67666 GPRESSURE: 2913200 -68.2516 -263.088 -291.655 -84.0128 221.948 -4.99541 -205.8 -152.089 -4.2036 PRESSAVG: 2913200 -41.1283 14.5209 35.0351 14.5208 6.94141 -1.24471 35.0351 -1.24469 -14.1354 GPRESSAVG: 2913200 -41.1728 13.0902 33.0361 16.0048 6.2048 -1.87798 34.339 -0.971742 -13.2843 TIMING: 2913200 CPU: 9099, 0.00312851/step Wall: 9099, 0.00312851/step, 1.81349 hours remaining, 234.871094 MB of memory in use. ENERGY: 2913200 4016.4760 20484.0484 14408.9418 248.4200 -203411.7973 2703.3688 0.0000 0.0000 51961.1301 -109589.4123 298.6213 -161550.5424 -109223.4383 299.0113 16.4751 49.8310 761898.3178 -16.1074 -16.0841 PRESSURE: 2913400 14.0296 40.1712 136.009 40.1722 59.3433 136.987 136.01 136.987 109.247 GPRESSURE: 2913400 77.1909 71.3797 142.877 57.0578 72.8506 185.21 163.798 192.389 124.394 PRESSAVG: 2913400 10.7185 -6.53066 -21.9344 -6.53073 -22.7675 1.22609 -21.9344 1.226 5.01815 GPRESSAVG: 2913400 11.6706 -4.45296 -21.8061 -6.59523 -22.5287 1.72163 -22.0947 0.503525 4.33952 TIMING: 2913400 CPU: 9099.63, 0.00310688/step Wall: 9099.63, 0.00310688/step, 1.80078 hours remaining, 234.871094 MB of memory in use. ENERGY: 2913400 3917.4318 20657.5349 14385.3419 244.4061 -203184.0696 2495.8296 0.0000 0.0000 51823.8414 -109659.6840 297.8323 -161483.5254 -109305.8903 299.0638 60.8733 91.4784 761895.9798 -2.3436 -2.1729 PRESSURE: 2913600 243.42 -21.3863 135.313 -21.3856 -322.352 -53.4952 135.312 -53.4952 -64.8386 GPRESSURE: 2913600 183.845 63.4072 117.228 -138.631 -251.318 -12.0375 190.749 -51.7703 -0.0823324 PRESSAVG: 2913600 77.7221 23.0869 40.3191 23.0868 -47.0385 -0.929788 40.319 -0.92973 -1.69581 GPRESSAVG: 2913600 77.1602 23.6217 40.6523 23.2487 -47.9167 -0.0256675 41.6392 -0.441193 -1.11031 TIMING: 2913600 CPU: 9100.25, 0.00311985/step Wall: 9100.25, 0.00311985/step, 1.80812 hours remaining, 234.871094 MB of memory in use. ENERGY: 2913600 4050.5020 20456.3369 14497.5106 230.0660 -203435.1490 2719.4692 0.0000 0.0000 51799.2978 -109681.9665 297.6913 -161481.2643 -109327.7220 299.0005 -47.9236 -22.5184 760878.5771 9.6626 9.3777 PRESSURE: 2913800 16.6283 196.644 140.567 196.643 161.129 -30.0184 140.568 -30.0192 350.86 GPRESSURE: 2913800 112.819 161.775 125.746 127.296 111.128 -58.4132 181.918 -53.865 373.036 PRESSAVG: 2913800 -8.55381 1.29138 4.50085 1.29138 45.3125 -38.2942 4.50082 -38.2942 -9.65638 GPRESSAVG: 2913800 -9.7507 0.752817 2.98049 3.02138 45.4797 -39.7549 5.18472 -37.9742 -8.46848 TIMING: 2913800 CPU: 9100.87, 0.00310925/step Wall: 9100.87, 0.00310925/step, 1.80181 hours remaining, 234.871094 MB of memory in use. ENERGY: 2913800 3929.4791 20401.0994 14369.6386 248.7465 -203705.8855 2899.7712 0.0000 0.0000 52264.2417 -109592.9090 300.3633 -161857.1507 -109232.0455 298.8126 176.2056 198.9944 760914.5887 9.0341 9.0868 PRESSURE: 2914000 4.87457 30.9059 147.188 30.9058 266.385 -42.408 147.187 -42.4077 27.142 GPRESSURE: 2914000 93.4128 60.8869 95.3797 -111.187 269.005 -45.2723 172.34 117.438 22.7153 PRESSAVG: 2914000 24.3327 66.578 -15.876 66.578 -2.00921 -2.47134 -15.8759 -2.47136 1.80806 GPRESSAVG: 2914000 25.0368 66.5746 -15.0578 65.3915 -2.36924 -0.715055 -16.7324 -2.86637 1.45058 TIMING: 2914000 CPU: 9101.5, 0.00311499/step Wall: 9101.5, 0.00311499/step, 1.80496 hours remaining, 234.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2914000 3911.9240 20464.5919 14475.1196 264.7523 -203451.1446 2508.9730 0.0000 0.0000 52100.1852 -109725.5985 299.4205 -161825.7837 -109368.4127 299.0541 99.4673 128.3777 759621.6251 8.0439 8.0394 PRESSURE: 2914200 -112.987 36.1054 -260.769 36.1062 -30.2608 74.6716 -260.769 74.6716 153.149 GPRESSURE: 2914200 -15.9049 -9.58424 -206.859 135.731 6.8903 76.6855 -56.1745 70.3711 106.634 PRESSAVG: 2914200 -34.9265 67.4904 -34.9197 67.4903 42.7047 -7.93281 -34.9197 -7.93274 13.6389 GPRESSAVG: 2914200 -34.1516 67.1485 -33.3424 68.1979 43.5708 -7.66943 -36.1148 -9.31201 11.8781 TIMING: 2914200 CPU: 9102.12, 0.00311766/step Wall: 9102.12, 0.00311766/step, 1.80633 hours remaining, 234.871094 MB of memory in use. ENERGY: 2914200 3951.6846 20522.8023 14451.8945 256.8049 -203183.1139 2558.7692 0.0000 0.0000 51854.2062 -109586.9523 298.0068 -161441.1586 -109227.4392 298.6592 3.3005 32.5398 760628.2946 7.1390 7.0991 PRESSURE: 2914400 252.827 -58.8112 161.379 -58.811 655.513 -39.6017 161.38 -39.6014 351.147 GPRESSURE: 2914400 307.757 -77.0816 193.76 -43.9264 639.125 -28.4693 79.9759 -62.7366 394.473 PRESSAVG: 2914400 22.489 20.1415 45.9815 20.1415 7.72485 -53.6157 45.9815 -53.6158 -12.5789 GPRESSAVG: 2914400 21.7302 21.2086 45.3094 19.3694 6.56845 -56.2125 45.768 -53.1327 -11.2294 TIMING: 2914400 CPU: 9102.74, 0.00312252/step Wall: 9102.74, 0.00312252/step, 1.80898 hours remaining, 234.871094 MB of memory in use. ENERGY: 2914400 3916.3345 20440.2259 14366.5900 238.1905 -203664.8266 3050.2785 0.0000 0.0000 52075.7380 -109577.4691 299.2800 -161653.2071 -109210.3938 299.0976 419.8290 447.1182 760051.1143 5.8783 5.6898 PRESSURE: 2914600 -167.845 142.721 124.687 142.721 -217.34 -152.593 124.687 -152.593 -152.29 GPRESSURE: 2914600 -93.897 128.703 205.375 107.021 -213.37 -193.152 140.052 -111.016 -140.098 PRESSAVG: 2914600 -19.2561 7.45388 21.6237 7.4539 25.7819 -32.3735 21.6238 -32.3734 16.5754 GPRESSAVG: 2914600 -20.2534 6.76983 21.8572 5.95577 27.5076 -31.7946 22.8774 -32.535 15.7649 TIMING: 2914600 CPU: 9103.36, 0.00310752/step Wall: 9103.36, 0.00310752/step, 1.80012 hours remaining, 234.871094 MB of memory in use. ENERGY: 2914600 3971.9291 20354.5841 14351.5040 245.5298 -203174.9869 2571.0626 0.0000 0.0000 52061.0740 -109619.3033 299.1957 -161680.3773 -109251.7621 298.9683 -179.1586 -149.1219 763207.3016 7.7004 7.6730 PRESSURE: 2914800 -271.766 59.0647 158.434 59.0651 -93.3213 185.228 158.434 185.229 300.403 GPRESSURE: 2914800 -183.884 67.8427 32.3914 91.8044 -37.3897 308.928 182.034 62.9933 242.634 PRESSAVG: 2914800 28.8557 51.0482 15.9729 51.0482 1.08422 -56.4078 15.9729 -56.4078 3.95391 GPRESSAVG: 2914800 29.6542 50.2944 15.2458 53.2093 0.341488 -55.1369 14.9622 -56.1033 3.95198 TIMING: 2914800 CPU: 9103.99, 0.00312457/step Wall: 9103.99, 0.00312457/step, 1.80982 hours remaining, 234.871094 MB of memory in use. ENERGY: 2914800 4041.9750 20453.8204 14377.6488 243.9274 -203001.3349 2513.8861 0.0000 0.0000 51837.7316 -109532.3456 297.9122 -161370.0772 -109161.2628 298.6437 -21.5612 7.1201 761848.7844 11.2979 11.3159 PRESSURE: 2915000 -297.077 -96.3427 80.5855 -96.3432 -79.2476 13.8986 80.5861 13.8984 82.8837 GPRESSURE: 2915000 -254.892 -4.38484 15.3521 15.4831 -97.0455 -8.59284 -22.087 43.1324 139.039 PRESSAVG: 2915000 -1.21138 -12.8451 23.1506 -12.8451 7.23231 -33.4083 23.1506 -33.4083 -19.1716 GPRESSAVG: 2915000 0.152865 -12.4623 23.8829 -13.59 6.43289 -33.3604 22.4475 -34.8127 -19.2534 TIMING: 2915000 CPU: 9104.62, 0.00312945/step Wall: 9104.62, 0.00312945/step, 1.81247 hours remaining, 234.871094 MB of memory in use. ENERGY: 2915000 3975.4249 20423.3181 14420.4575 248.7090 -202782.9980 2166.9120 0.0000 0.0000 51854.8867 -109693.2897 298.0107 -161548.1764 -109324.0781 298.7112 -97.8136 -70.9662 763050.5561 -4.3836 -4.2226 PRESSURE: 2915200 -31.0822 273.1 -19.1644 273.1 -337.196 -78.2583 -19.1642 -78.2594 90.9117 GPRESSURE: 2915200 -66.7286 321.001 -33.395 301.441 -151.761 -59.2653 -14.712 67.0316 26.749 PRESSAVG: 2915200 10.4515 52.8705 -46.0704 52.8705 29.844 -24.0818 -46.0703 -24.0819 -15.3373 GPRESSAVG: 2915200 10.0411 52.6732 -46.5069 53.6217 30.1728 -25.1072 -43.9865 -20.8974 -15.1456 TIMING: 2915200 CPU: 9105.24, 0.00313727/step Wall: 9105.24, 0.00313727/step, 1.81683 hours remaining, 234.871094 MB of memory in use. ENERGY: 2915200 3981.3844 20410.8104 14441.9850 250.8771 -203267.2321 2526.8369 0.0000 0.0000 52105.7756 -109549.5628 299.4526 -161655.3384 -109188.7059 298.5738 -92.4555 -63.9135 762395.4976 8.3194 8.3561 PRESSURE: 2915400 17.7075 -7.0094 -198.01 -7.009 -88.2721 -250.121 -198.011 -250.121 -238.913 GPRESSURE: 2915400 75.7047 -42.8907 -153.172 -23.3567 -65.8403 -307.336 -3.35106 -232.426 -237.945 PRESSAVG: 2915400 24.9598 73.3047 11.9232 73.3048 -6.72829 -96.0197 11.9232 -96.0197 12.5625 GPRESSAVG: 2915400 24.2867 74.2443 11.6691 73.6438 -6.66979 -95.9961 11.6819 -97.3475 12.68 TIMING: 2915400 CPU: 9105.87, 0.00313858/step Wall: 9105.87, 0.00313858/step, 1.81741 hours remaining, 234.871094 MB of memory in use. ENERGY: 2915400 3920.2898 20457.9282 14428.9284 249.8971 -203291.6241 2390.5210 0.0000 0.0000 52057.5185 -109786.5410 299.1753 -161844.0595 -109424.5979 298.7490 -103.1593 -76.0269 762857.3354 10.2647 10.0990 PRESSURE: 2915600 -164.378 -43.5136 -171.427 -43.5131 -219.996 44.1036 -171.427 44.1041 -333.551 GPRESSURE: 2915600 -252.518 -24.1583 -196.24 -48.5592 -64.8536 -8.65742 -175.934 -92.3183 -318.38 PRESSAVG: 2915600 -58.5041 33.4991 26.1849 33.4991 29.3959 -25.8684 26.1848 -25.8683 4.24165 GPRESSAVG: 2915600 -58.5484 33.8598 26.0073 33.43 29.9441 -25.7691 27.644 -27.1804 4.29041 TIMING: 2915600 CPU: 9106.5, 0.00312418/step Wall: 9106.5, 0.00312418/step, 1.8089 hours remaining, 234.871094 MB of memory in use. ENERGY: 2915600 3947.0144 20435.3526 14444.4144 236.4607 -203172.9726 2462.9803 0.0000 0.0000 51758.5825 -109888.1677 297.4573 -161646.7503 -109531.0239 297.5659 -239.3084 -211.9171 762660.8811 -8.2888 -8.1046 PRESSURE: 2915800 -193.45 -52.3162 192.821 -52.317 41.761 -158.564 192.82 -158.565 -225.179 GPRESSURE: 2915800 -69.3747 -137.938 152.598 -89.6358 -28.2704 -175.517 310.644 -186.435 -174.788 PRESSAVG: 2915800 37.78 1.50869 33.9208 1.50867 -29.0915 -50.2886 33.9208 -50.2886 -2.70717 GPRESSAVG: 2915800 38.1723 1.77597 32.8653 0.186495 -29.3028 -49.5346 33.563 -50.467 -3.16461 TIMING: 2915800 CPU: 9107.12, 0.00312293/step Wall: 9107.12, 0.00312293/step, 1.808 hours remaining, 234.871094 MB of memory in use. ENERGY: 2915800 4014.9750 20254.9307 14430.1456 233.9013 -203339.0798 2643.4207 0.0000 0.0000 51977.1826 -109784.5240 298.7136 -161761.7066 -109424.4919 298.1755 -125.6226 -90.8109 761064.9720 1.9937 1.9016 PRESSURE: 2916000 65.8139 103.402 72.1739 103.401 39.4111 42.5079 72.1741 42.5078 133.828 GPRESSURE: 2916000 131.731 131.46 56.3078 70.9101 80.6208 27.6651 127.029 40.2 110.871 PRESSAVG: 2916000 38.2098 -14.6698 93.2494 -14.6698 8.90548 -13.7834 93.2493 -13.7835 19.7455 GPRESSAVG: 2916000 39.269 -14.1116 94.695 -12.9078 7.5405 -14.0473 91.8522 -15.4418 20.3896 TIMING: 2916000 CPU: 9107.75, 0.00313872/step Wall: 9107.75, 0.00313872/step, 1.81697 hours remaining, 234.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2916000 3943.7321 20300.0671 14463.6723 253.0130 -203091.4382 2575.6816 0.0000 0.0000 51975.9104 -109579.3615 298.7063 -161555.2720 -109214.7608 298.3273 79.6844 107.7410 761677.3136 22.2869 22.3997 PRESSURE: 2916200 -165.361 26.181 49.6732 26.1806 -87.216 211.878 49.6727 211.878 -150.066 GPRESSURE: 2916200 -204.191 -131.15 -15.9391 93.4341 -31.2556 237.133 57.6951 91.8152 -99.0977 PRESSAVG: 2916200 -24.0639 12.3796 53.5455 12.3796 10.0117 1.20916 53.5455 1.20903 24.4688 GPRESSAVG: 2916200 -25.8071 11.4826 54.716 11.1864 11.3864 0.325193 52.5703 3.66793 24.8189 TIMING: 2916200 CPU: 9108.37, 0.00311953/step Wall: 9108.37, 0.00311953/step, 1.80569 hours remaining, 235.128906 MB of memory in use. ENERGY: 2916200 3961.6656 20324.4695 14441.3746 248.5062 -203064.1864 2609.4507 0.0000 0.0000 51891.1364 -109587.5835 298.2191 -161478.7199 -109225.6350 298.3048 -134.2146 -111.5147 763491.1729 3.4722 3.4661 LDB: ============= START OF LOAD BALANCING ============== 9120.85 LDB: ============== END OF LOAD BALANCING =============== 9120.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9120.85 LDB: ============= START OF LOAD BALANCING ============== 9121.17 LDB: Largest compute 7069 load 0.030174 is 15.5% of average load 0.194942 LDB: Average compute 0.004410 is 2.3% of average load 0.194942 LDB: TIME 9121.17 LOAD: AVG 0.194942 MAX 0.215577 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.156 MB LDB: TIME 9121.17 LOAD: AVG 0.194942 MAX 0.215577 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.16 MB LDB: TIME 9121.17 LOAD: AVG 0.194942 MAX 0.215577 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.16 MB LDB: ============== END OF LOAD BALANCING =============== 9121.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9121.18 PRESSURE: 2916400 -194.127 -46.8822 -30.2972 -46.8829 -179.908 -217.073 -30.2978 -217.073 -286.186 GPRESSURE: 2916400 -162.995 80.8421 -40.2982 -90.0631 -180.211 -280.359 -133.508 -254.607 -234 PRESSAVG: 2916400 -16.6765 19.3726 29.1469 19.3725 35.5603 1.63977 29.1469 1.6397 14.4812 GPRESSAVG: 2916400 -16.1269 19.6657 28.0699 20.669 34.1304 2.79998 31.7281 -0.410589 15.3372 TIMING: 2916400 CPU: 9109.01, 0.00319402/step Wall: 9109.01, 0.00319402/step, 1.84863 hours remaining, 234.500000 MB of memory in use. ENERGY: 2916400 4068.9664 20449.8726 14424.6229 261.5708 -203230.6003 2556.7357 0.0000 0.0000 51868.6206 -109600.2113 298.0897 -161468.8319 -109242.1030 298.1716 -220.0737 -192.4020 763327.1290 11.1216 11.1136 PRESSURE: 2916600 -20.7528 27.3824 -80.521 27.3828 157.301 163.787 -80.5212 163.787 42.9083 GPRESSURE: 2916600 74.5693 19.1274 1.28102 95.5235 147.12 138.302 -16.4768 215.961 52.2269 PRESSAVG: 2916600 -76.3938 4.39152 -23.9098 4.39155 54.6282 22.3829 -23.9097 22.3829 6.2379 GPRESSAVG: 2916600 -75.9402 5.0401 -22.5912 3.69617 54.627 21.9415 -26.0217 23.667 6.12919 TIMING: 2916600 CPU: 9109.64, 0.00314628/step Wall: 9109.64, 0.00314628/step, 1.82082 hours remaining, 234.570312 MB of memory in use. ENERGY: 2916600 3914.0167 20275.3937 14414.8811 243.0927 -203214.3071 2712.4283 0.0000 0.0000 52155.8677 -109498.6269 299.7405 -161654.4946 -109121.7471 298.6280 59.8189 91.3055 761505.3428 -5.1759 -5.0613 PRESSURE: 2916800 105.966 19.4563 134.58 19.4561 -303.084 -14.3839 134.579 -14.3851 -49.6957 GPRESSURE: 2916800 114.661 -65.559 129.319 8.14966 -154.562 41.0038 142.566 82.1504 -120.867 PRESSAVG: 2916800 33.2062 54.0976 -21.4857 54.0976 -27.4068 9.62868 -21.4857 9.62873 -2.04332 GPRESSAVG: 2916800 34.3238 54.088 -23.6556 53.51 -27.1587 11.2782 -18.7239 8.54142 -3.59775 TIMING: 2916800 CPU: 9110.27, 0.00314228/step Wall: 9110.27, 0.00314228/step, 1.81833 hours remaining, 234.570312 MB of memory in use. ENERGY: 2916800 3947.8962 20379.7079 14399.8616 239.8931 -202981.1149 2452.5700 0.0000 0.0000 52102.3772 -109458.8090 299.4331 -161561.1862 -109098.5330 298.9599 -82.2711 -53.5893 763023.3422 1.2520 1.1891 PRESSURE: 2917000 -287.924 -91.6825 -160.529 -91.683 -295.59 15.4344 -160.528 15.4337 -100.07 GPRESSURE: 2917000 -271.572 -150.172 -123.864 -164.193 -221.894 30.9755 -194.99 64.831 -106.335 PRESSAVG: 2917000 1.71365 62.4023 -2.09996 62.4023 18.8223 49.3613 -2.09993 49.3613 -11.9385 GPRESSAVG: 2917000 -0.497717 61.5722 -0.444767 62.2216 20.5298 47.6848 -6.15161 52.3146 -11.6917 TIMING: 2917000 CPU: 9110.89, 0.00312533/step Wall: 9110.89, 0.00312533/step, 1.80835 hours remaining, 234.570312 MB of memory in use. ENERGY: 2917000 3890.8432 20405.5336 14386.1754 239.8824 -202515.4141 2233.6619 0.0000 0.0000 52007.5177 -109351.7999 298.8879 -161359.3176 -108980.9734 298.9457 -227.8611 -199.9335 762469.7494 2.8658 2.7801 PRESSURE: 2917200 -146.23 287.386 -134.033 287.385 -88.1402 74.6004 -134.034 74.5992 -201.177 GPRESSURE: 2917200 -162.472 372.672 -21.1302 190.341 12.9858 48.6529 -122.967 39.5971 -190.515 PRESSAVG: 2917200 -24.6742 3.63083 16.1583 3.63077 5.65793 5.79408 16.1583 5.79406 15.3039 GPRESSAVG: 2917200 -23.4326 4.46043 14.0579 4.31453 4.04287 5.72931 18.7368 2.45966 15.5417 TIMING: 2917200 CPU: 9111.52, 0.00311648/step Wall: 9111.52, 0.00311648/step, 1.80305 hours remaining, 234.570312 MB of memory in use. ENERGY: 2917200 4007.9294 20573.6944 14452.4092 266.9112 -202657.2089 2181.2142 0.0000 0.0000 52116.8681 -109058.1822 299.5164 -161175.0504 -108698.9644 299.5865 -145.1827 -113.3336 763323.1386 -1.2375 -1.2827 PRESSURE: 2917400 -298.639 97.2102 302.411 97.2099 -87.8771 -22.7716 302.412 -22.7718 -80.4589 GPRESSURE: 2917400 -225.392 8.91988 194.32 76.0521 -39.4598 -54.9727 174.668 -148.715 -120.634 PRESSAVG: 2917400 -39.6911 71.7579 35.6558 71.7579 -3.31371 -1.87487 35.6559 -1.87482 20.1369 GPRESSAVG: 2917400 -38.7407 71.6977 35.4033 72.467 -3.05087 -1.60044 34.1025 -2.6249 19.3185 TIMING: 2917400 CPU: 9112.14, 0.00312797/step Wall: 9112.14, 0.00312797/step, 1.80953 hours remaining, 234.570312 MB of memory in use. ENERGY: 2917400 4046.8103 20382.5067 14403.5632 252.4777 -202944.6326 2823.4018 0.0000 0.0000 51915.4327 -109120.4402 298.3587 -161035.8729 -108751.3185 299.7100 -155.6583 -128.4952 763817.8923 -7.6226 -7.4910 PRESSURE: 2917600 179.717 118.617 94.8169 118.616 -170.452 280.627 94.817 280.625 -234.819 GPRESSURE: 2917600 171.579 112.65 113.714 56.8954 -93.3884 209.286 64.9671 206.573 -209.921 PRESSAVG: 2917600 2.64725 38.7473 2.58185 38.7472 21.7431 -33.0521 2.58194 -33.0521 8.87502 GPRESSAVG: 2917600 1.5604 39.2113 4.12246 36.2192 21.7181 -33.2527 2.05887 -28.7884 10.0342 TIMING: 2917600 CPU: 9112.77, 0.00312387/step Wall: 9112.77, 0.00312387/step, 1.80698 hours remaining, 234.570312 MB of memory in use. ENERGY: 2917600 4021.7298 20378.1604 14394.1327 251.4853 -202576.4760 2283.1463 0.0000 0.0000 52226.8679 -109020.9536 300.1485 -161247.8215 -108653.8064 300.1968 -75.1847 -43.9103 762747.2315 11.0884 11.1042 PRESSURE: 2917800 -173.777 -7.77871 13.5183 -7.77845 111.604 -8.801 13.518 -8.80018 507.511 GPRESSURE: 2917800 -103.982 22.7599 -33.3976 19.8649 207.775 29.1446 137.983 -61.0179 431.06 PRESSAVG: 2917800 -18.2462 16.9724 33.9275 16.9724 26.5085 -25.9213 33.9274 -25.9213 -11.969 GPRESSAVG: 2917800 -18.9066 15.8658 33.1811 19.5003 26.8664 -25.0397 35.0708 -28.9947 -11.906 TIMING: 2917800 CPU: 9113.39, 0.00312919/step Wall: 9113.39, 0.00312919/step, 1.80989 hours remaining, 234.570312 MB of memory in use. ENERGY: 2917800 3945.9257 20383.8227 14417.7260 263.2220 -202685.1331 2391.2030 0.0000 0.0000 52211.3922 -109071.8415 300.0596 -161283.2337 -108707.3418 300.2398 148.4458 178.2843 761921.3051 -1.2355 -1.3154 PRESSURE: 2918000 -99.4631 127.801 -322.15 127.802 285.938 31.2215 -322.15 31.2206 110.038 GPRESSURE: 2918000 -109.3 151.489 -237.949 84.4849 259.454 93.5768 -238.599 21.484 226.68 PRESSAVG: 2918000 -61.1006 22.8591 20.5699 22.8591 64.482 0.281717 20.5699 0.281647 4.74869 GPRESSAVG: 2918000 -61.7633 24.6853 19.6342 22.2489 65.1886 -1.00896 22.6475 1.38056 4.52529 TIMING: 2918000 CPU: 9114.02, 0.00314873/step Wall: 9114.02, 0.00314873/step, 1.82101 hours remaining, 234.570312 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: 2918000 3943.6792 20447.7281 14435.0880 227.0524 -203027.5560 2472.8524 0.0000 0.0000 52304.0014 -109197.1546 300.5918 -161501.1560 -108836.0441 299.8449 98.8377 125.6113 760669.4151 2.7100 2.6502 PRESSURE: 2918200 36.1101 187.89 60.5356 187.891 -157.878 -7.65639 60.5363 -7.6564 189.855 GPRESSURE: 2918200 178.297 156.563 241.022 219.363 -125.484 -65.5956 37.8504 110.936 101.865 PRESSAVG: 2918200 55.4768 7.04841 -1.00309 7.0484 9.19644 -64.0277 -1.00318 -64.0277 11.2422 GPRESSAVG: 2918200 56.6355 6.56861 0.877775 7.40769 8.5843 -63.5741 -2.71483 -63.3451 11.3312 TIMING: 2918200 CPU: 9114.65, 0.0031515/step Wall: 9114.65, 0.0031515/step, 1.82244 hours remaining, 234.570312 MB of memory in use. ENERGY: 2918200 4021.4417 20506.8897 14400.7119 225.6380 -203318.3706 2771.1035 0.0000 0.0000 52074.0269 -109318.5589 299.2701 -161392.5858 -108958.3549 299.6493 22.6957 51.5591 762841.8434 25.3051 25.5170 PRESSURE: 2918400 -128.762 -46.8925 -77.6963 -46.8924 -299.807 75.1664 -77.6974 75.167 -411.135 GPRESSURE: 2918400 -119.546 -60.4758 -119.075 -90.9944 -283.224 -7.41563 -100.316 59.6318 -357.876 PRESSAVG: 2918400 -20.5129 -20.8869 47.1443 -20.8869 53.2653 -68.163 47.1443 -68.1631 13.4411 GPRESSAVG: 2918400 -21.4301 -21.3084 46.2815 -21.9232 53.1059 -68.5873 46.3452 -71.1273 14.1032 TIMING: 2918400 CPU: 9115.28, 0.0031424/step Wall: 9115.28, 0.0031424/step, 1.817 hours remaining, 234.570312 MB of memory in use. ENERGY: 2918400 3994.4150 20570.0460 14351.3628 235.6085 -203057.3250 2455.5699 0.0000 0.0000 52146.4782 -109303.8446 299.6865 -161450.3229 -108932.5755 299.2002 -279.9011 -253.5487 764032.2690 15.3978 15.2597 PRESSURE: 2918600 33.117 28.0141 8.11557 28.0135 -131.88 -94.8899 8.11531 -94.89 -129.601 GPRESSURE: 2918600 19.2926 -124.506 38.9024 10.2118 -98.9292 -47.4928 -61.7575 -115.26 -82.7533 PRESSAVG: 2918600 37.3886 -1.62082 34.6534 -1.6208 -25.0259 -9.01968 34.6534 -9.01968 8.96593 GPRESSAVG: 2918600 38.5562 -3.8288 35.4578 -0.871015 -26.0806 -8.24933 32.9447 -8.09979 9.22353 TIMING: 2918600 CPU: 9115.91, 0.00314499/step Wall: 9115.91, 0.00314499/step, 1.81833 hours remaining, 234.570312 MB of memory in use. ENERGY: 2918600 4016.4242 20461.0097 14436.9469 248.4313 -203172.0028 2539.7843 0.0000 0.0000 52127.3467 -109342.0597 299.5766 -161469.4064 -108984.2845 299.3428 -76.1215 -54.1299 763199.7234 7.1096 7.2331 PRESSURE: 2918800 -189.958 -56.0422 122.879 -56.0419 95.3519 11.258 122.879 11.2582 -121.721 GPRESSURE: 2918800 -151.628 58.2997 101.215 -99.7569 70.3989 79.3797 -18.0823 18.7228 -54.2168 PRESSAVG: 2918800 -32.2278 -0.754422 -6.16829 -0.754373 15.1403 28.5737 -6.16826 28.5737 -17.3789 GPRESSAVG: 2918800 -32.5804 -1.02484 -8.15132 0.153763 16.6668 27.3982 -3.35564 28.31 -18.1702 TIMING: 2918800 CPU: 9116.54, 0.00314841/step Wall: 9116.54, 0.00314841/step, 1.82013 hours remaining, 234.570312 MB of memory in use. ENERGY: 2918800 3996.5574 20513.6176 14420.3065 238.9547 -202653.1569 2388.1051 0.0000 0.0000 51688.9793 -109406.6364 297.0573 -161095.6157 -109049.8043 299.1199 -72.1090 -45.1487 762943.8970 -11.4888 -11.3613 PRESSURE: 2919000 -190.285 -92.3828 -63.3127 -92.3827 6.58477 49.3849 -63.3121 49.3852 -177.485 GPRESSURE: 2919000 -210.223 -130.775 -114.628 -34.3935 11.7063 14.0637 37.2343 14.6363 -69.7733 PRESSAVG: 2919000 -46.929 -35.6939 -32.254 -35.6939 28.5411 23.4801 -32.254 23.4802 24.0553 GPRESSAVG: 2919000 -46.1137 -32.0406 -31.2103 -37.5337 27.6416 23.402 -32.8336 25.7832 23.7317 TIMING: 2919000 CPU: 9117.17, 0.00314327/step Wall: 9117.17, 0.00314327/step, 1.81699 hours remaining, 234.570312 MB of memory in use. ENERGY: 2919000 3957.6240 20419.0841 14427.9201 251.3320 -203077.7229 2395.3216 0.0000 0.0000 52050.6328 -109575.8084 299.1357 -161626.4412 -109218.2127 298.6235 -120.3951 -89.4300 761078.6524 1.8891 1.7532 PRESSURE: 2919200 -27.3821 -8.51836 198.684 -8.51866 -151.631 32.1399 198.685 32.1404 -26.537 GPRESSURE: 2919200 -51.7841 98.3725 104.303 -42.7112 -13.0613 16.3445 184.583 107.609 -37.5565 PRESSAVG: 2919200 15.7296 16.7204 -24.0003 16.7204 -21.5017 17.5112 -24.0003 17.5113 9.65286 GPRESSAVG: 2919200 14.4028 13.7864 -25.3617 17.5712 -20.6542 19.1811 -22.313 16.6386 9.68379 TIMING: 2919200 CPU: 9117.8, 0.00314461/step Wall: 9117.8, 0.00314461/step, 1.81758 hours remaining, 234.570312 MB of memory in use. ENERGY: 2919200 4015.0560 20480.6394 14371.9695 248.7349 -203141.8115 2690.0813 0.0000 0.0000 51842.0432 -109493.2873 297.9369 -161335.3305 -109137.9863 299.2137 -68.5168 -34.1340 761583.7773 1.2936 1.1441 PRESSURE: 2919400 -155.46 -69.5015 230.665 -69.502 -210.605 215.18 230.665 215.18 -281.84 GPRESSURE: 2919400 -78.5245 74.5764 175.396 5.91422 -157.348 149.166 170.832 92.4857 -330.444 PRESSAVG: 2919400 -62.5154 -3.48367 12.3046 -3.48373 50.2197 29.3844 12.3046 29.3843 -36.0517 GPRESSAVG: 2919400 -61.5151 -2.01621 13.2609 -1.57626 49.8289 28.1474 9.77965 28.9636 -37.1514 TIMING: 2919400 CPU: 9118.42, 0.00312893/step Wall: 9118.42, 0.00312893/step, 1.80835 hours remaining, 234.570312 MB of memory in use. ENERGY: 2919400 4042.5106 20536.7664 14307.8109 243.0033 -203132.7212 2457.3300 0.0000 0.0000 52350.5835 -109194.7164 300.8595 -161545.3000 -108831.0521 299.5472 -215.9684 -188.7722 760959.0796 -16.1158 -16.2792 PRESSURE: 2919600 397.567 43.9567 -34.83 43.9565 104.668 138.484 -34.8298 138.484 -213.706 GPRESSURE: 2919600 470.128 1.4705 -43.4499 55.4215 117.996 156.245 -30.5535 36.7676 -218.647 PRESSAVG: 2919600 13.0786 -14.926 17.124 -14.926 7.34996 17.8934 17.124 17.8935 -6.28782 GPRESSAVG: 2919600 13.5051 -15.9492 17.358 -15.9823 6.65531 17.1612 16.9976 19.5757 -5.98772 TIMING: 2919600 CPU: 9119.05, 0.0031565/step Wall: 9119.05, 0.0031565/step, 1.8241 hours remaining, 234.570312 MB of memory in use. ENERGY: 2919600 3981.0735 20672.8855 14386.8517 233.6876 -203114.2356 2524.7854 0.0000 0.0000 51988.5100 -109326.4419 298.7787 -161314.9519 -108954.1356 299.5187 96.1761 123.1590 760451.6165 4.7136 4.7242 PRESSURE: 2919800 -163.204 -158.012 -258.051 -158.012 -315.026 -177.741 -258.05 -177.741 98.2025 GPRESSURE: 2919800 -130.177 -129.113 -253.022 -194.048 -278.54 -195.484 -226.269 -189.526 114.359 PRESSAVG: 2919800 -29.6997 -27.9983 44.9156 -27.9983 -15.1713 19.2756 44.9155 19.2755 27.8408 GPRESSAVG: 2919800 -29.8804 -28.1776 45.3489 -26.462 -13.8802 21.3112 45.8912 16.1093 27.0106 TIMING: 2919800 CPU: 9119.68, 0.00313955/step Wall: 9119.68, 0.00313956/step, 1.81414 hours remaining, 234.570312 MB of memory in use. ENERGY: 2919800 4024.5502 20738.5787 14341.0448 218.7820 -203106.7590 2440.0694 0.0000 0.0000 52062.9477 -109280.7862 299.2065 -161343.7339 -108925.6054 299.8942 -126.6759 -98.1193 760908.6408 -5.6768 -5.5834 PRESSURE: 2920000 303.805 -273.805 9.02718 -273.803 175.351 23.7984 9.02764 23.798 -97.5694 GPRESSURE: 2920000 368.03 -263.128 -32.6433 -239.409 209.125 -15.2816 12.8615 -97.6205 -95.691 PRESSAVG: 2920000 18.1268 -26.6519 -12.0073 -26.6518 -32.1378 56.0336 -12.0072 56.0337 1.23316 GPRESSAVG: 2920000 17.6664 -26.4307 -12.1608 -27.9978 -31.4453 55.1238 -12.0289 56.7746 0.936018 TIMING: 2920000 CPU: 9120.31, 0.00314382/step Wall: 9120.31, 0.00314382/step, 1.81643 hours remaining, 234.570312 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: 2920000 3934.5532 20571.7203 14350.1053 283.3005 -203918.8886 3046.6469 0.0000 0.0000 52228.6365 -109503.9259 300.1587 -161732.5624 -109138.7546 299.8371 127.1956 160.4881 761093.3320 -4.2593 -4.2810 PRESSURE: 2920200 29.8487 -347.094 67.2277 -347.094 -395.002 60.9075 67.2285 60.908 213.747 GPRESSURE: 2920200 48.8742 -241.617 45.7067 -211.184 -262.6 100.564 149.969 166.565 142.141 PRESSAVG: 2920200 2.62779 -28.6235 -36.1675 -28.6235 13.9219 10.2098 -36.1675 10.2097 -12.3194 GPRESSAVG: 2920200 3.60515 -28.5474 -36.4937 -27.4779 12.1748 10.3039 -36.3993 10.7091 -11.6664 TIMING: 2920200 CPU: 9120.94, 0.00313439/step Wall: 9120.94, 0.00313439/step, 1.81081 hours remaining, 234.570312 MB of memory in use. ENERGY: 2920200 4020.4781 20529.5584 14418.7203 247.3415 -203344.7985 2630.2325 0.0000 0.0000 52198.8053 -109299.6625 299.9873 -161498.4678 -108932.2470 298.9597 -50.4687 -23.8616 760617.4654 1.4101 1.3712 LDB: ============= START OF LOAD BALANCING ============== 9133.42 LDB: ============== END OF LOAD BALANCING =============== 9133.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9133.42 LDB: ============= START OF LOAD BALANCING ============== 9133.74 LDB: Largest compute 7075 load 0.030772 is 15.8% of average load 0.195031 LDB: Average compute 0.004360 is 2.2% of average load 0.195031 LDB: TIME 9133.74 LOAD: AVG 0.195031 MAX 0.215962 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.559 MB LDB: TIME 9133.74 LOAD: AVG 0.195031 MAX 0.215962 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.562 MB LDB: TIME 9133.74 LOAD: AVG 0.195031 MAX 0.215962 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.562 MB LDB: ============== END OF LOAD BALANCING =============== 9133.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9133.75 PRESSURE: 2920400 -65.3409 87.7826 -97.6357 87.7834 -23.261 -173.41 -97.6355 -173.41 335.195 GPRESSURE: 2920400 -72.3958 65.0283 -72.6829 -12.5694 41.5972 -245.254 -180.528 -133.254 361.097 PRESSAVG: 2920400 10.4924 -32.3484 -26.1631 -32.3484 39.4872 2.77764 -26.1631 2.77758 -5.00206 GPRESSAVG: 2920400 9.84797 -32.5446 -25.8033 -33.7893 40.069 0.859608 -26.9076 4.18608 -5.0554 TIMING: 2920400 CPU: 9121.58, 0.0032127/step Wall: 9121.58, 0.0032127/step, 1.85587 hours remaining, 234.027344 MB of memory in use. ENERGY: 2920400 3953.7827 20478.2812 14322.1449 249.5707 -203215.9864 2586.2792 0.0000 0.0000 52005.7804 -109620.1474 298.8779 -161625.9279 -109255.4965 299.2537 82.1977 110.0996 760693.4163 14.9925 14.9539 PRESSURE: 2920600 127.047 131.724 -154.9 131.725 -171.239 -114.643 -154.9 -114.642 244.05 GPRESSURE: 2920600 81.646 132.565 -131.564 95.5687 -78.5504 -158.406 -163.431 -73.8068 282.888 PRESSAVG: 2920600 28.5855 17.4012 -31.2226 17.4012 30.4949 -1.36602 -31.2227 -1.36596 -7.35389 GPRESSAVG: 2920600 27.2914 16.815 -30.8883 18.021 30.714 2.24351 -31.0921 -3.39532 -6.81761 TIMING: 2920600 CPU: 9122.21, 0.00314223/step Wall: 9122.21, 0.00314223/step, 1.81498 hours remaining, 234.027344 MB of memory in use. ENERGY: 2920600 3978.9574 20585.3884 14344.5374 255.4538 -203304.0111 2780.2074 0.0000 0.0000 52051.4642 -109308.0025 299.1405 -161359.4667 -108949.3101 299.1393 66.6194 95.3280 762804.2557 17.2422 17.0626 PRESSURE: 2920800 -293.834 -8.08192 -91.726 -8.0817 26.9657 421.842 -91.7253 421.842 -265.256 GPRESSURE: 2920800 -269.117 34.0596 -128.991 -16.4131 -9.44796 303.701 -61.5868 347.448 -179.44 PRESSAVG: 2920800 -0.828345 2.19528 -34.42 2.19532 23.5675 -21.3399 -34.4199 -21.3399 23.6329 GPRESSAVG: 2920800 0.599724 3.78391 -34.1522 2.18654 23.0334 -23.8323 -34.818 -20.808 22.1144 TIMING: 2920800 CPU: 9122.84, 0.00314841/step Wall: 9122.84, 0.00314841/step, 1.81838 hours remaining, 234.027344 MB of memory in use. ENERGY: 2920800 3950.0272 20656.2611 14340.5941 235.9019 -202822.4277 2235.4636 0.0000 0.0000 51912.3460 -109491.8339 298.3410 -161404.1799 -109128.9297 299.4364 -177.3750 -152.6680 762810.6449 15.4574 15.2492 PRESSURE: 2921000 173.891 -135.699 -29.7879 -135.698 36.3215 41.4996 -29.7879 41.5001 242.189 GPRESSURE: 2921000 174.517 -41.2672 -81.2801 -142.289 58.4698 118.806 -80.8826 29.9744 305.749 PRESSAVG: 2921000 -11.7035 -12.9302 -50.2971 -12.9302 14.7052 -34.2242 -50.2971 -34.2242 -9.55314 GPRESSAVG: 2921000 -11.8552 -14.1348 -52.351 -12.9593 13.8071 -30.8716 -49.7847 -34.2883 -8.94767 TIMING: 2921000 CPU: 9123.47, 0.00314241/step Wall: 9123.47, 0.00314241/step, 1.81474 hours remaining, 234.027344 MB of memory in use. ENERGY: 2921000 3946.5178 20295.6020 14397.9150 235.7785 -203373.7663 2817.7966 0.0000 0.0000 52134.9310 -109545.2254 299.6202 -161680.1564 -109173.9346 299.2323 150.8006 179.5785 760444.9564 -2.1838 -2.3319 PRESSURE: 2921200 -161.466 27.8819 -67.2464 27.8823 291.438 123.518 -67.2461 123.519 -145.648 GPRESSURE: 2921200 -47.0414 53.1602 -38.543 10.628 278.9 103.79 -145.877 53.204 -152.442 PRESSAVG: 2921200 27.5291 26.7747 -46.5341 26.7747 -19.6777 26.3397 -46.5341 26.3396 18.0555 GPRESSAVG: 2921200 27.2058 26.7387 -46.2754 28.1115 -19.8069 25.0722 -47.5508 26.3074 18.2543 TIMING: 2921200 CPU: 9124.09, 0.00313712/step Wall: 9124.09, 0.00313712/step, 1.81151 hours remaining, 234.027344 MB of memory in use. ENERGY: 2921200 3999.7569 20581.1019 14445.2503 258.4993 -203405.6330 2742.9735 0.0000 0.0000 51904.1823 -109473.8688 298.2940 -161378.0511 -109114.7476 298.7304 -5.2257 26.4722 759574.1210 8.6356 8.5511 PRESSURE: 2921400 76.8998 -152.794 110.01 -152.795 108.336 -24.226 110.01 -24.2263 -34.5943 GPRESSURE: 2921400 116.973 -249.669 128.001 -99.3205 109.655 12.4267 30.3081 5.72625 19.7786 PRESSAVG: 2921400 50.002 1.79139 -8.11939 1.79136 -40.6936 -34.7847 -8.11935 -34.7849 -15.172 GPRESSAVG: 2921400 49.9219 0.569082 -8.45029 1.343 -39.5141 -36.5198 -7.55481 -33.8876 -15.7816 TIMING: 2921400 CPU: 9124.72, 0.00311069/step Wall: 9124.72, 0.00311069/step, 1.79608 hours remaining, 234.027344 MB of memory in use. ENERGY: 2921400 3986.9934 20625.5946 14411.3262 231.0426 -203519.9342 3012.9314 0.0000 0.0000 51872.7150 -109379.3311 298.1132 -161252.0461 -109026.3106 298.9884 50.2139 82.1357 760914.1283 -1.9545 -1.7913 PRESSURE: 2921600 55.5139 255.83 -190.311 255.829 -295.075 -152.87 -190.311 -152.87 21.9002 GPRESSURE: 2921600 57.1468 201.075 -146.219 268.369 -177.897 -90.9152 -95.7676 -116.358 -8.94426 PRESSAVG: 2921600 29.224 6.20337 36.8257 6.20337 15.7647 -50.1348 36.8256 -50.1348 -22.5694 GPRESSAVG: 2921600 29.0037 6.57028 36.9864 5.31216 15.7269 -48.5565 37.3521 -51.0041 -22.5925 TIMING: 2921600 CPU: 9125.34, 0.00312136/step Wall: 9125.34, 0.00312136/step, 1.80206 hours remaining, 234.027344 MB of memory in use. ENERGY: 2921600 4021.4040 20361.0204 14399.3668 222.1662 -203046.0478 2506.8564 0.0000 0.0000 51938.9643 -109596.2696 298.4939 -161535.2340 -109227.2531 299.0688 -72.5536 -43.2313 761688.6007 7.4731 7.3793 PRESSURE: 2921800 -145.815 67.0344 -224.492 67.0351 -185.559 -320.475 -224.493 -320.474 -61.2218 GPRESSURE: 2921800 -112.691 36.1018 -192.155 -32.4671 -156.25 -292.924 -43.5854 -309.065 -31.5647 PRESSAVG: 2921800 0.595373 17.6538 13.8146 17.6539 -12.8744 -57.1966 13.8146 -57.1966 -28.9608 GPRESSAVG: 2921800 0.507898 17.425 14.551 16.3425 -14.0187 -57.359 14.2074 -56.9052 -27.1758 TIMING: 2921800 CPU: 9125.97, 0.00313529/step Wall: 9125.97, 0.00313529/step, 1.80993 hours remaining, 234.027344 MB of memory in use. ENERGY: 2921800 4008.2971 20588.8914 14447.9482 254.0855 -203208.3452 2508.0869 0.0000 0.0000 52035.8637 -109365.1723 299.0508 -161401.0361 -109002.8424 299.4501 -130.8654 -100.1686 761281.6177 -13.7466 -13.5622 PRESSURE: 2922000 -32.0989 59.4221 -21.6375 59.4227 303.393 -90.604 -21.6376 -90.6037 205.153 GPRESSURE: 2922000 -45.0018 67.0976 21.7907 -39.4821 334.331 -69.6862 -37.676 -110.249 259.515 PRESSAVG: 2922000 -16.7695 -24.6292 56.4749 -24.6291 12.3961 -10.4583 56.4749 -10.4583 2.9589 GPRESSAVG: 2922000 -16.2988 -23.7791 55.5292 -23.6942 13.6639 -12.9887 55.8805 -10.4481 1.07579 TIMING: 2922000 CPU: 9126.6, 0.00313735/step Wall: 9126.6, 0.00313735/step, 1.81095 hours remaining, 234.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2922000 3976.5672 20580.6327 14422.0717 239.9418 -203112.6585 2603.1652 0.0000 0.0000 52071.1570 -109219.1229 299.2537 -161290.2799 -108856.3479 299.2556 158.8156 182.9482 762357.5521 -0.4715 -0.5197 PRESSURE: 2922200 -320.621 -154.471 144.262 -154.471 -255.989 118.461 144.261 118.462 174.213 GPRESSURE: 2922200 -302.197 -132.62 141.864 -129.254 -188.418 121.882 164.862 -108.102 158.247 PRESSAVG: 2922200 7.43931 -45.4938 -38.8153 -45.4938 3.84814 -9.49916 -38.8153 -9.49917 -3.76623 GPRESSAVG: 2922200 6.8802 -45.3802 -38.7104 -46.0495 3.64436 -7.2389 -38.2587 -10.5734 -3.28074 TIMING: 2922200 CPU: 9127.22, 0.0031429/step Wall: 9127.22, 0.0031429/step, 1.81398 hours remaining, 234.027344 MB of memory in use. ENERGY: 2922200 4030.0521 20558.5340 14389.4086 248.0359 -203255.2177 2650.0874 0.0000 0.0000 52311.3717 -109067.7279 300.6342 -161379.0996 -108704.3176 299.5688 -134.1322 -110.7897 763587.8325 2.5071 2.4146 PRESSURE: 2922400 -123.589 95.567 2.00295 95.5669 -19.5827 -44.0378 2.0023 -44.0381 -399.626 GPRESSURE: 2922400 -97.3252 32.5888 -68.2735 65.1772 64.7642 -54.0216 69.727 142.904 -430.728 PRESSAVG: 2922400 -34.922 6.53357 -19.727 6.53361 -12.0517 39.9644 -19.727 39.9643 6.44701 GPRESSAVG: 2922400 -33.3896 5.60347 -18.1294 7.98692 -13.0451 38.6792 -20.1078 40.1878 5.68575 TIMING: 2922400 CPU: 9127.85, 0.00313816/step Wall: 9127.85, 0.00313816/step, 1.81107 hours remaining, 234.027344 MB of memory in use. ENERGY: 2922400 3996.5221 20555.7312 14435.2549 255.2936 -203004.3376 2274.9720 0.0000 0.0000 52169.9145 -109316.6492 299.8212 -161486.5638 -108956.0839 300.0078 -180.9326 -154.4296 762829.4514 -13.5089 -13.5830 PRESSURE: 2922600 -218.194 -5.04694 -210.803 -5.04719 -233.893 111.195 -210.802 111.193 -354.254 GPRESSURE: 2922600 -143.806 -5.99379 -245.405 3.14166 -243.492 123.805 -253.166 152.792 -361.106 PRESSAVG: 2922600 -29.2105 79.4929 -22.1388 79.4928 10.0068 62.1418 -22.1388 62.1418 -2.72099 GPRESSAVG: 2922600 -29.8494 79.0099 -24.0287 78.6532 10.1804 63.3544 -21.1258 63.0445 -2.49853 TIMING: 2922600 CPU: 9128.48, 0.00313809/step Wall: 9128.48, 0.00313809/step, 1.81085 hours remaining, 234.027344 MB of memory in use. ENERGY: 2922600 4066.5335 20548.5386 14421.2497 237.6563 -202881.2423 2273.7232 0.0000 0.0000 51977.6147 -109355.9261 298.7161 -161333.5408 -108995.3735 299.6822 -268.7802 -249.4679 762393.8123 -7.3082 -7.3892 PRESSURE: 2922800 -545.644 -34.8082 120.672 -34.8085 -324.435 -1.74164 120.672 -1.74041 98.2442 GPRESSURE: 2922800 -465.422 -50.1308 258.456 3.64669 -330.472 17.5732 105.733 -144.229 99.8185 PRESSAVG: 2922800 36.3451 50.336 -16.3876 50.336 -22.8111 47.0283 -16.3876 47.0282 10.4127 GPRESSAVG: 2922800 36.0242 51.5974 -15.1173 50.2053 -22.8762 46.1234 -18.4723 46.5571 10.818 TIMING: 2922800 CPU: 9129.1, 0.00311533/step Wall: 9129.1, 0.00311533/step, 1.79755 hours remaining, 234.027344 MB of memory in use. ENERGY: 2922800 3992.1918 20510.0018 14363.9755 244.6288 -202834.1398 2275.8604 0.0000 0.0000 51994.2148 -109453.2667 298.8115 -161447.4815 -109096.6879 299.2911 -257.2782 -232.0252 761922.6414 7.9823 7.9887 PRESSURE: 2923000 192.059 5.47635 -188.158 5.47579 292.222 81.5302 -188.158 81.5306 -21.4391 GPRESSURE: 2923000 207.313 -133.027 -217.773 0.838833 261.217 105.52 -146.29 114.481 82.6778 PRESSAVG: 2923000 -23.4046 -1.57666 13.8535 -1.57663 0.526149 42.4338 13.8535 42.4338 -9.09014 GPRESSAVG: 2923000 -23.2101 -2.85525 12.9883 -0.562996 -0.556303 43.124 14.3708 41.5786 -8.33209 TIMING: 2923000 CPU: 9129.73, 0.00313094/step Wall: 9129.73, 0.00313094/step, 1.80638 hours remaining, 234.027344 MB of memory in use. ENERGY: 2923000 4048.3286 20423.5759 14378.0945 247.2009 -203361.2369 2703.6947 0.0000 0.0000 51927.1222 -109633.2202 298.4259 -161560.3424 -109264.7634 299.1596 154.2807 183.7358 760452.6229 -10.6562 -10.6995 PRESSURE: 2923200 -55.6673 191.953 -96.3029 191.953 -400.554 -65.6626 -96.3032 -65.6613 174.375 GPRESSURE: 2923200 -4.93965 151.291 -61.2997 75.1414 -315.888 -4.19149 -139.362 -11.902 121.35 PRESSAVG: 2923200 3.07772 5.97202 4.84419 5.97194 5.2892 -22.0776 4.84423 -22.0776 -0.522106 GPRESSAVG: 2923200 1.9206 6.58765 3.60224 3.89447 6.07815 -22.2794 6.33888 -20.6774 -0.225507 TIMING: 2923200 CPU: 9130.35, 0.00311318/step Wall: 9130.35, 0.00311318/step, 1.79596 hours remaining, 234.027344 MB of memory in use. ENERGY: 2923200 4024.6566 20441.0598 14395.6174 262.9475 -203457.0296 2731.3634 0.0000 0.0000 51955.5046 -109645.8802 298.5890 -161601.3848 -109287.6313 298.9420 -93.9487 -66.4928 761907.1231 2.6149 2.5911 PRESSURE: 2923400 -35.059 36.3912 164.663 36.3906 -204.533 122.023 164.664 122.023 -11.6994 GPRESSURE: 2923400 -61.0645 31.6593 47.3794 64.4283 -154.039 88.884 200.135 48.3872 55.7535 PRESSAVG: 2923400 14.6518 58.0337 36.1764 58.0337 15.0141 -39.8418 36.1764 -39.8418 -11.7614 GPRESSAVG: 2923400 16.4317 56.7621 37.1054 58.3354 14.4351 -41.1513 35.0618 -38.9059 -12.7129 TIMING: 2923400 CPU: 9130.98, 0.00312704/step Wall: 9130.98, 0.00312704/step, 1.80378 hours remaining, 234.027344 MB of memory in use. ENERGY: 2923400 3996.4967 20470.3190 14325.5809 252.2471 -202910.0686 2469.3804 0.0000 0.0000 51904.3933 -109491.6513 298.2953 -161396.0446 -109131.7644 298.7108 -83.7637 -53.1167 761531.8568 5.9682 6.0513 PRESSURE: 2923600 325.358 105.349 142.982 105.349 217.05 22.2754 142.982 22.2753 197.63 GPRESSURE: 2923600 284.738 69.35 104.392 117.951 289.357 103.303 41.9593 32.9076 250.206 PRESSAVG: 2923600 -18.7045 53.8861 6.69527 53.8861 -5.02934 -19.4062 6.69527 -19.4062 16.0214 GPRESSAVG: 2923600 -19.01 54.7989 6.76918 56.323 -4.89955 -17.4074 6.88629 -21.1284 16.143 TIMING: 2923600 CPU: 9131.6, 0.00311695/step Wall: 9131.6, 0.00311695/step, 1.79779 hours remaining, 234.027344 MB of memory in use. ENERGY: 2923600 4019.1490 20376.5790 14331.4901 243.4460 -203593.4419 2994.2234 0.0000 0.0000 52104.4712 -109524.0832 299.4451 -161628.5544 -109180.0087 298.8361 246.6793 274.7669 760558.7033 -2.5708 -2.5888 PRESSURE: 2923800 -157.146 123.302 13.0598 123.301 -475.675 -199.347 13.0593 -199.347 -177.629 GPRESSURE: 2923800 -147.512 65.7005 -38.5511 162.464 -435.058 -203.495 -13.034 -138.728 -157.014 PRESSAVG: 2923800 4.37888 -14.6094 -10.0499 -14.6095 9.62741 7.82199 -10.05 7.82202 18.946 GPRESSAVG: 2923800 4.82359 -15.8035 -11.3977 -15.4064 9.03107 7.95582 -7.19001 6.09665 18.6341 TIMING: 2923800 CPU: 9132.22, 0.00311477/step Wall: 9132.22, 0.00311477/step, 1.79636 hours remaining, 234.027344 MB of memory in use. ENERGY: 2923800 4028.0618 20462.7294 14373.9269 244.3198 -202956.6137 2464.4423 0.0000 0.0000 52040.1830 -109342.9504 299.0756 -161383.1335 -108980.6422 298.8088 -270.1498 -246.5278 763540.2343 10.9841 10.8296 PRESSURE: 2924000 -217.972 -100.021 89.1819 -100.021 -285.649 200.05 89.1823 200.05 -478.875 GPRESSURE: 2924000 -210.784 -133.572 31.7529 -85.7606 -152.456 179.884 -31.7761 144.42 -550.632 PRESSAVG: 2924000 46.0701 0.739076 22.4658 0.739068 -40.8342 54.8437 22.4658 54.8437 -18.7011 GPRESSAVG: 2924000 45.1533 1.96434 24.1937 0.741614 -40.5527 53.7869 18.2374 54.6763 -18.1474 TIMING: 2924000 CPU: 9132.85, 0.00311254/step Wall: 9132.85, 0.00311254/step, 1.7949 hours remaining, 234.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2924000 3990.3393 20451.1586 14309.4984 249.9594 -203204.9466 2455.0634 0.0000 0.0000 52372.2811 -109376.6465 300.9842 -161748.9276 -109022.6504 299.4681 -327.4984 -304.6241 761458.9933 -4.4884 -4.5156 PRESSURE: 2924200 -27.6147 18.4427 287.841 18.4421 -6.20257 34.6884 287.841 34.6883 121.582 GPRESSURE: 2924200 -115.563 43.3292 302.145 -71.3541 82.1265 60.9522 225.394 -96.1226 203.998 PRESSAVG: 2924200 10.3657 -22.8116 15.7285 -22.8116 59.9325 -35.3929 15.7286 -35.3929 10.9005 GPRESSAVG: 2924200 8.75013 -22.9424 15.3207 -22.8799 61.1425 -35.8626 17.4068 -32.8325 11.0976 TIMING: 2924200 CPU: 9133.47, 0.00311119/step Wall: 9133.47, 0.00311119/step, 1.79395 hours remaining, 234.027344 MB of memory in use. ENERGY: 2924200 3895.9385 20661.4894 14405.1968 247.5737 -202797.5808 2122.1479 0.0000 0.0000 52253.5000 -109211.7344 300.3016 -161465.2345 -108843.1857 299.6415 29.2549 56.8539 760834.0378 27.0662 26.9968 LDB: ============= START OF LOAD BALANCING ============== 9145.95 LDB: ============== END OF LOAD BALANCING =============== 9145.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9145.95 LDB: ============= START OF LOAD BALANCING ============== 9146.26 LDB: Largest compute 7075 load 0.029591 is 15.2% of average load 0.195034 LDB: Average compute 0.004395 is 2.3% of average load 0.195034 LDB: TIME 9146.26 LOAD: AVG 0.195034 MAX 0.216045 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.797 MB LDB: TIME 9146.26 LOAD: AVG 0.195034 MAX 0.216045 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.797 MB LDB: TIME 9146.26 LOAD: AVG 0.195034 MAX 0.216045 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.797 MB LDB: ============== END OF LOAD BALANCING =============== 9146.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9146.27 PRESSURE: 2924400 85.2506 -185.074 -50.0951 -185.074 -165.464 195.243 -50.0952 195.244 189.343 GPRESSURE: 2924400 138.113 -234.784 -14.4384 -286.651 -135.513 78.8759 -30.2942 161.928 190.763 PRESSAVG: 2924400 47.7733 -14.5531 30.4968 -14.5531 -35.9353 19.8224 30.4968 19.8224 -17.6497 GPRESSAVG: 2924400 48.7736 -15.1703 30.2789 -17.2132 -36.8651 19.0423 30.7513 19.5562 -17.6636 TIMING: 2924400 CPU: 9134.11, 0.00318844/step Wall: 9134.11, 0.00318844/step, 1.83831 hours remaining, 234.343750 MB of memory in use. ENERGY: 2924400 3968.2428 20417.2841 14471.1243 249.3932 -202994.1836 2474.7058 0.0000 0.0000 52044.5262 -109368.9072 299.1006 -161413.4334 -108999.2152 299.2630 36.3762 64.4545 761865.6663 -1.9372 -1.9184 PRESSURE: 2924600 157.304 -64.5963 -35.2527 -64.5962 456.566 -121.904 -35.2533 -121.903 368.216 GPRESSURE: 2924600 306.804 13.6768 -24.6362 -145.256 361.632 -47.0516 35.6962 -52.5412 406.133 PRESSAVG: 2924600 38.4836 -38.1795 -21.4446 -38.1795 -34.0803 16.7243 -21.4447 16.7243 -13.3429 GPRESSAVG: 2924600 39.1381 -37.8027 -21.5091 -36.362 -34.9462 18.0356 -20.1052 15.2629 -13.6294 TIMING: 2924600 CPU: 9134.73, 0.00312177/step Wall: 9134.73, 0.00312177/step, 1.7997 hours remaining, 234.343750 MB of memory in use. ENERGY: 2924600 3977.2017 20603.4166 14417.4037 244.6435 -203156.8797 2743.6074 0.0000 0.0000 51944.5730 -109226.0338 298.5262 -161170.6068 -108868.9244 299.2227 327.3621 358.1896 761792.5553 -2.9799 -3.1458 PRESSURE: 2924800 282.211 324.567 23.9367 324.567 66.7371 -12.2975 23.9363 -12.2979 367.823 GPRESSURE: 2924800 359.032 205.332 -45.2828 278.207 132.944 82.1306 62.6557 -146.688 308.086 PRESSAVG: 2924800 34.1472 -16.612 -0.12439 -16.612 -46.7819 -23.8799 -0.124435 -23.88 35.8872 GPRESSAVG: 2924800 34.0742 -16.0508 -0.62404 -16.9273 -46.1633 -23.7378 -0.952594 -22.5243 34.9556 TIMING: 2924800 CPU: 9135.35, 0.0031174/step Wall: 9135.35, 0.0031174/step, 1.79701 hours remaining, 234.343750 MB of memory in use. ENERGY: 2924800 3977.9056 20427.2806 14383.2148 260.0433 -203560.6031 2774.2859 0.0000 0.0000 52286.0894 -109451.7834 300.4889 -161737.8729 -109086.3920 299.5475 238.9238 266.6875 759982.7031 7.7508 7.6222 PRESSURE: 2925000 -94.9058 226.111 -267.071 226.112 -82.1642 -176.648 -267.071 -176.648 -321.05 GPRESSURE: 2925000 -57.0385 144.452 -248.8 228.6 17.9334 -167.858 -122.389 -119.578 -385.889 PRESSAVG: 2925000 67.0712 25.3741 17.4269 25.3741 -39.345 -5.94427 17.4269 -5.94423 7.3448 GPRESSAVG: 2925000 68.1942 24.2267 17.8217 27.0658 -40.5064 -6.35555 18.1926 -8.0543 7.26658 TIMING: 2925000 CPU: 9135.97, 0.00310606/step Wall: 9135.97, 0.00310606/step, 1.7903 hours remaining, 234.343750 MB of memory in use. ENERGY: 2925000 4002.8743 20396.4778 14409.2321 255.0780 -202998.4206 2358.5120 0.0000 0.0000 51923.7226 -109652.5238 298.4063 -161576.2464 -109294.6993 298.7825 -166.0401 -141.6647 762547.1330 11.6903 11.6515 PRESSURE: 2925200 533.384 95.758 70.5361 95.7572 105.084 377.562 70.5356 377.562 -54.6182 GPRESSURE: 2925200 510.004 141.031 153.569 32.4304 169.357 392.356 75.4489 326.51 -18.7982 PRESSAVG: 2925200 25.5164 -28.9981 7.7341 -28.9981 -29.7905 -3.87354 7.73415 -3.87352 6.79557 GPRESSAVG: 2925200 24.6003 -28.2899 8.58799 -31.0747 -28.9783 -2.31299 6.6176 -3.25418 7.17705 TIMING: 2925200 CPU: 9136.6, 0.00310628/step Wall: 9136.6, 0.00310628/step, 1.79025 hours remaining, 234.343750 MB of memory in use. ENERGY: 2925200 3956.8314 20475.4401 14420.5625 256.9199 -203609.5572 2968.2067 0.0000 0.0000 51878.5608 -109653.0358 298.1468 -161531.5966 -109289.4859 298.5227 194.6164 220.1876 762657.4266 0.8405 0.9330 PRESSURE: 2925400 -806.875 55.0679 -129.45 55.0694 -214.192 127.843 -129.449 127.843 -179.615 GPRESSURE: 2925400 -707.316 20.8509 -106.237 -45.8282 -212.267 66.044 -80.663 219.827 -210.658 PRESSAVG: 2925400 -5.55177 23.4271 -38.2282 23.4272 -5.49981 55.9101 -38.2282 55.9101 -7.75606 GPRESSAVG: 2925400 -4.6168 22.6498 -38.1342 23.6958 -5.9667 54.8292 -37.5215 56.1113 -8.05076 TIMING: 2925400 CPU: 9137.22, 0.00311344/step Wall: 9137.22, 0.00311344/step, 1.7942 hours remaining, 234.343750 MB of memory in use. ENERGY: 2925400 4058.4060 20539.5603 14465.3164 249.7359 -203227.6970 2459.4847 0.0000 0.0000 52017.2641 -109437.9297 298.9439 -161455.1937 -109089.7620 298.9339 -400.2276 -376.7471 763116.6066 -6.2692 -6.2114 PRESSURE: 2925600 27.9996 -227.926 -5.6199 -227.926 -135.143 21.8585 -5.61927 21.8587 -324.381 GPRESSURE: 2925600 42.0113 -178.911 -84.6903 -236.955 -75.6678 -36.3316 36.5161 -128.806 -313.291 PRESSAVG: 2925600 20.5694 -17.6476 -45.4823 -17.6476 -45.3129 3.05216 -45.4823 3.05217 19.7866 GPRESSAVG: 2925600 18.7504 -17.2142 -47.5376 -17.7818 -43.8623 4.01149 -42.8044 3.29087 20.5784 TIMING: 2925600 CPU: 9137.84, 0.00311915/step Wall: 9137.84, 0.00311915/step, 1.79732 hours remaining, 234.343750 MB of memory in use. ENERGY: 2925600 4003.1193 20572.6186 14497.9534 235.8526 -203222.8355 2598.8511 0.0000 0.0000 51728.5530 -109585.8874 297.2847 -161314.4404 -109232.6909 299.1682 -143.8417 -115.6491 762684.6438 -1.6523 -1.5112 PRESSURE: 2925800 415.382 289.922 42.4038 289.922 409.516 -89.7392 42.4032 -89.7401 633.002 GPRESSURE: 2925800 465.141 223.547 119.745 209.693 470.597 -179.26 -2.01483 -172.757 603.791 PRESSAVG: 2925800 33.8715 22.4504 -15.3449 22.4503 -68.0912 -39.6486 -15.3449 -39.6486 -4.5079 GPRESSAVG: 2925800 35.4623 23.1423 -13.3271 22.0683 -68.8184 -41.8699 -18.0163 -37.9303 -5.68053 TIMING: 2925800 CPU: 9138.47, 0.00312661/step Wall: 9138.47, 0.00312661/step, 1.80145 hours remaining, 234.343750 MB of memory in use. ENERGY: 2925800 4021.9252 20370.1118 14375.2922 238.0429 -203970.6732 3303.1627 0.0000 0.0000 51925.4294 -109736.7090 298.4162 -161662.1384 -109376.8831 298.5081 485.9669 513.1764 760378.2207 -12.9092 -13.0122 PRESSURE: 2926000 51.9124 -176.087 -25.9905 -176.087 -293.447 25.0499 -25.991 25.0501 -221.136 GPRESSURE: 2926000 95.6858 -168.901 3.44518 -79.8793 -296.081 99.7159 -98.5449 -12.7221 -160.643 PRESSAVG: 2926000 53.4263 -4.03497 -54.9724 -4.03496 -67.2821 -32.2586 -54.9724 -32.2586 -8.58088 GPRESSAVG: 2926000 53.254 -3.74157 -54.9152 -2.50236 -67.7767 -31.9329 -54.3016 -33.5567 -7.95943 TIMING: 2926000 CPU: 9139.09, 0.00311843/step Wall: 9139.09, 0.00311843/step, 1.79656 hours remaining, 234.343750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2926000 3950.1332 20346.9074 14417.7101 238.4537 -203151.3040 2578.5312 0.0000 0.0000 51854.7907 -109764.7775 298.0102 -161619.5682 -109397.7097 298.2054 -154.2234 -120.3460 763593.2856 -7.4789 -7.4940 PRESSURE: 2926200 337.101 151.528 -194.688 151.528 -258.434 -117.492 -194.688 -117.492 39.6372 GPRESSURE: 2926200 314.171 141.38 -82.6791 150.721 -186.632 -93.5768 -150.667 -154.469 66.6055 PRESSAVG: 2926200 8.31402 21.3149 -28.4866 21.3149 -5.19601 -22.4886 -28.4866 -22.4885 5.32956 GPRESSAVG: 2926200 7.82968 18.9072 -28.3959 22.5488 -4.72731 -21.1381 -27.7686 -21.7308 5.39188 TIMING: 2926200 CPU: 9139.71, 0.00310941/step Wall: 9139.71, 0.00310941/step, 1.79119 hours remaining, 234.343750 MB of memory in use. ENERGY: 2926200 3947.6892 20345.1207 14411.5785 251.1562 -203413.2275 2827.8710 0.0000 0.0000 52040.9593 -109588.8526 299.0801 -161629.8119 -109225.3878 298.2569 39.4347 64.7147 762373.4925 2.8159 2.8314 PRESSURE: 2926400 -489.03 -174.702 74.4206 -174.701 -21.7341 -41.4759 74.4202 -41.4757 113.955 GPRESSURE: 2926400 -478.474 -108.287 112.949 -160.36 66.2259 -134.474 62.3675 -71.3095 120.29 PRESSAVG: 2926400 -9.91828 -13.7912 -3.91289 -13.7912 -3.78908 -36.7209 -3.91293 -36.7208 13.2207 GPRESSAVG: 2926400 -10.2107 -12.1978 -4.55094 -17.4543 -4.01088 -38.9732 -5.6855 -36.5895 13.5354 TIMING: 2926400 CPU: 9140.34, 0.00311313/step Wall: 9140.34, 0.00311313/step, 1.79316 hours remaining, 234.343750 MB of memory in use. ENERGY: 2926400 4034.5783 20470.3477 14367.9613 246.5193 -203573.6243 3106.8077 0.0000 0.0000 51857.3240 -109490.0860 298.0248 -161347.4100 -109131.2791 298.8443 -132.2696 -97.3194 764021.5209 -0.1622 -0.2287 PRESSURE: 2926600 -5.66716 195.066 32.8826 195.066 -96.5705 -116.195 32.8825 -116.194 -290.488 GPRESSURE: 2926600 -40.6448 89.106 28.9923 55.9092 -40.887 -141.185 -39.6119 37.6661 -216.02 PRESSAVG: 2926600 39.7787 17.4222 8.73266 17.4222 -40.8519 -6.90892 8.73269 -6.90888 -7.66382 GPRESSAVG: 2926600 39.387 17.313 8.19407 19.2341 -41.0653 -5.16446 10.1988 -6.89451 -7.06578 TIMING: 2926600 CPU: 9140.96, 0.00311004/step Wall: 9140.96, 0.00311004/step, 1.79121 hours remaining, 234.343750 MB of memory in use. ENERGY: 2926600 4050.8004 20409.8309 14416.3063 244.3091 -203251.4238 2693.9954 0.0000 0.0000 51945.8814 -109490.3004 298.5337 -161436.1817 -109132.8292 298.8749 -130.9087 -99.1840 763748.1855 -2.9124 -2.9147 PRESSURE: 2926800 158.149 233.091 39.8301 233.09 -342.793 73.195 39.8293 73.1961 334.793 GPRESSURE: 2926800 137.72 177.662 42.3197 196.202 -212.439 54.3427 64.3949 -55.7 315.084 PRESSAVG: 2926800 52.4099 68.9896 -19.072 68.9896 -59.661 27.2759 -19.072 27.2759 17.3786 GPRESSAVG: 2926800 53.1908 70.3358 -18.3955 67.5147 -59.6492 27.0261 -22.5584 27.0349 16.5428 TIMING: 2926800 CPU: 9141.58, 0.00312154/step Wall: 9141.58, 0.00312154/step, 1.79766 hours remaining, 234.343750 MB of memory in use. ENERGY: 2926800 4013.4636 20429.4536 14410.0021 247.2434 -203161.2352 2716.0688 0.0000 0.0000 51886.4009 -109458.6027 298.1919 -161345.0037 -109107.9333 298.8422 50.0495 80.1215 764288.6583 3.3758 3.3615 PRESSURE: 2927000 -245.51 207.385 -48.9585 207.386 -133.409 -265.229 -48.9587 -265.229 -172.816 GPRESSURE: 2927000 -194.512 96.9622 -8.24568 130.326 -125.639 -373.656 -51.7546 -190.309 -136.55 PRESSAVG: 2927000 14.4198 7.47702 -4.48576 7.47702 -61.3139 13.8003 -4.48573 13.8002 10.8696 GPRESSAVG: 2927000 14.4808 6.62759 -6.21508 8.95597 -60.0136 12.4307 -2.44807 15.7054 10.2294 TIMING: 2927000 CPU: 9142.2, 0.00311239/step Wall: 9142.2, 0.00311239/step, 1.79222 hours remaining, 234.343750 MB of memory in use. ENERGY: 2927000 3999.7970 20410.4511 14422.4008 235.9657 -203175.4092 2672.4423 0.0000 0.0000 51858.6356 -109575.7167 298.0323 -161434.3523 -109211.2603 298.6184 -183.9116 -152.2339 762251.7538 -12.0082 -11.7678 PRESSURE: 2927200 -200.199 -231.671 -103.533 -231.671 -306.372 -48.5933 -103.533 -48.5931 117.777 GPRESSURE: 2927200 -247.02 -310.489 -121.801 -95.235 -300.546 -66.8723 -57.745 -170.113 237.965 PRESSAVG: 2927200 -2.22065 -16.9589 -15.1341 -16.9589 5.33848 -19.8188 -15.134 -19.8188 3.84989 GPRESSAVG: 2927200 -1.14298 -17.7161 -12.4866 -14.1504 2.95538 -18.521 -14.4744 -23.1803 4.8978 TIMING: 2927200 CPU: 9142.83, 0.00313286/step Wall: 9142.83, 0.00313286/step, 1.80383 hours remaining, 234.343750 MB of memory in use. ENERGY: 2927200 3960.3241 20370.6514 14452.9791 246.2189 -203082.9652 2556.2423 0.0000 0.0000 51891.0864 -109605.4631 298.2188 -161496.5495 -109248.6178 298.2873 -129.5981 -103.2002 762373.4124 2.3226 2.2367 PRESSURE: 2927400 -32.2851 -265.439 137.394 -265.438 197.238 132.037 137.394 132.037 440.012 GPRESSURE: 2927400 -29.8532 -152.68 160.902 -255.059 214.422 79.6543 95.9877 179.866 482.072 PRESSAVG: 2927400 17.1205 -1.93458 -23.9218 -1.93463 15.4409 11.5915 -23.9217 11.5916 -6.58564 GPRESSAVG: 2927400 15.3851 -1.13046 -24.5422 -4.0483 16.8515 10.6744 -25.7639 12.1093 -6.56228 TIMING: 2927400 CPU: 9143.46, 0.0031344/step Wall: 9143.46, 0.0031344/step, 1.80454 hours remaining, 234.343750 MB of memory in use. ENERGY: 2927400 4010.0225 20339.9076 14448.8871 251.8501 -203549.4372 2932.7016 0.0000 0.0000 51908.9605 -109657.1079 298.3215 -161566.0684 -109285.5979 298.5801 201.6551 222.2137 762463.5490 8.6586 8.5581 PRESSURE: 2927600 -341.568 128.312 79.4256 128.313 -262.603 -36.0894 79.4266 -36.0898 146.864 GPRESSURE: 2927600 -141.782 134.134 46.8877 105.395 -358.379 -68.911 7.23129 -60.6032 142.671 PRESSAVG: 2927600 3.74801 45.3103 -15.4684 45.3104 -31.3288 6.69727 -15.4685 6.69733 -23.609 GPRESSAVG: 2927600 4.52352 45.9877 -15.6625 44.717 -32.2501 6.56097 -13.4034 7.54502 -23.2478 TIMING: 2927600 CPU: 9144.08, 0.00313093/step Wall: 9144.08, 0.00313093/step, 1.80237 hours remaining, 234.343750 MB of memory in use. ENERGY: 2927600 3986.8529 20635.2871 14549.7653 248.3406 -203405.8288 2703.9851 0.0000 0.0000 51972.4299 -109309.1678 298.6863 -161281.5977 -108948.5269 298.4855 -152.4360 -119.1633 762720.3418 -17.0633 -16.9915 PRESSURE: 2927800 -285.128 125.755 12.2466 125.755 -400.701 55.0126 12.2467 55.0127 182.605 GPRESSURE: 2927800 -226.538 66.3195 -52.9848 33.6378 -312.111 53.6408 0.727345 35.9759 129.766 PRESSAVG: 2927800 14.7209 24.7607 -25.2848 24.7607 16.2825 -29.8696 -25.2849 -29.8696 1.11159 GPRESSAVG: 2927800 15.2548 23.0301 -24.4553 25.2278 17.4538 -28.8529 -28.4804 -28.5703 -0.127122 TIMING: 2927800 CPU: 9144.71, 0.00314283/step Wall: 9144.71, 0.00314283/step, 1.80905 hours remaining, 234.343750 MB of memory in use. ENERGY: 2927800 3982.1180 20700.8012 14410.2598 258.1643 -203426.4057 2694.6105 0.0000 0.0000 51832.5538 -109547.8982 297.8824 -161380.4520 -109199.1151 299.1428 -167.7414 -136.2942 762921.7768 10.7050 10.8605 PRESSURE: 2928000 97.3366 -64.5283 18.8336 -64.5282 250.932 -432.701 18.833 -432.7 220.305 GPRESSURE: 2928000 81.5009 -24.9612 -26.9366 -55.014 266.471 -365.717 -25.1324 -353.897 315.616 PRESSAVG: 2928000 -14.8935 10.4088 -30.9414 10.4088 33.9358 -0.478718 -30.9413 -0.478667 12.8142 GPRESSAVG: 2928000 -14.2004 12.7283 -31.3248 9.33216 31.6108 -0.863052 -29.2202 -1.53802 14.5628 TIMING: 2928000 CPU: 9145.34, 0.00313451/step Wall: 9145.34, 0.00313451/step, 1.80409 hours remaining, 234.343750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2928000 3922.7333 20621.4951 14407.2006 249.1497 -203747.0187 2978.8619 0.0000 0.0000 52062.4905 -109505.0876 299.2038 -161567.5781 -109140.0776 298.7146 189.5246 221.1961 761064.8298 10.6189 10.6577 PRESSURE: 2928200 37.3181 -156.453 -151.371 -156.452 -181.034 53.7039 -151.372 53.704 -215.762 GPRESSURE: 2928200 111.045 -64.0201 -145.015 -101.947 -192.091 17.7198 -245.478 73.8362 -182.475 PRESSAVG: 2928200 35.608 0.276741 -30.9532 0.276794 -50.1312 8.01526 -30.9532 8.01527 -30.2802 GPRESSAVG: 2928200 34.1699 -1.14515 -30.4512 0.821731 -47.2911 8.08122 -29.7401 8.16944 -31.6837 TIMING: 2928200 CPU: 9145.97, 0.00315665/step Wall: 9145.97, 0.00315665/step, 1.81665 hours remaining, 234.343750 MB of memory in use. ENERGY: 2928200 4000.7736 20632.2758 14388.1775 262.5197 -203554.3734 2776.2107 0.0000 0.0000 52132.4498 -109361.9663 299.6059 -161494.4160 -109006.5170 298.8919 -119.8260 -87.8404 762611.1946 -14.9344 -14.9350 LDB: ============= START OF LOAD BALANCING ============== 9158.45 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9158.45 LDB: =============== DONE WITH MIGRATION ================ 9158.45 LDB: ============= START OF LOAD BALANCING ============== 9158.77 LDB: Largest compute 7075 load 0.028879 is 14.8% of average load 0.195021 LDB: Average compute 0.004390 is 2.3% of average load 0.195021 LDB: TIME 9158.77 LOAD: AVG 0.195021 MAX 0.215394 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 232.859 MB LDB: TIME 9158.77 LOAD: AVG 0.195021 MAX 0.215394 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.859 MB LDB: TIME 9158.77 LOAD: AVG 0.195021 MAX 0.215394 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.859 MB LDB: ============== END OF LOAD BALANCING =============== 9158.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9158.78 PRESSURE: 2928400 -133.289 -107.964 265.48 -107.964 156.182 -152.864 265.482 -152.863 -336.396 GPRESSURE: 2928400 -30.7379 -117.874 237.166 -33.1973 77.6845 -185.563 302.415 -225.239 -283.124 PRESSAVG: 2928400 31.311 6.25159 -70.5088 6.25162 -50.2835 -24.0135 -70.5087 -24.0134 14.6219 GPRESSAVG: 2928400 32.2317 4.32486 -72.6887 9.01661 -51.3847 -23.8791 -71.027 -25.3678 15.0371 TIMING: 2928400 CPU: 9146.61, 0.0032138/step Wall: 9146.61, 0.00321379/step, 1.84936 hours remaining, 233.371094 MB of memory in use. ENERGY: 2928400 3996.1306 20555.2203 14456.7214 242.9179 -203806.0139 2862.2701 0.0000 0.0000 52168.9976 -109523.7559 299.8159 -161692.7536 -109165.2122 298.8415 -104.5009 -78.7258 762436.7140 -1.4502 -1.3719 PRESSURE: 2928600 -106.727 64.8589 -47.8416 64.8585 36.7347 -227.661 -47.8419 -227.661 -77.8665 GPRESSURE: 2928600 -75.6055 134.908 -95.1991 49.5556 68.7863 -188.672 -137.219 -226.179 -54.1172 PRESSAVG: 2928600 5.24363 13.3151 22.0013 13.3151 18.096 -25.3552 22.0013 -25.3553 -5.18584 GPRESSAVG: 2928600 5.66638 15.6131 22.9686 11.2232 18.1843 -25.4755 22.1226 -23.2323 -5.52698 TIMING: 2928600 CPU: 9147.24, 0.00313202/step Wall: 9147.24, 0.00313202/step, 1.80213 hours remaining, 233.371094 MB of memory in use. ENERGY: 2928600 4003.4550 20530.2077 14498.6860 261.0777 -203599.1403 2767.0496 0.0000 0.0000 52061.7453 -109476.9190 299.1996 -161538.6644 -109122.3827 298.8730 -49.2862 -20.3121 761927.6309 6.0513 6.1079 PRESSURE: 2928800 -15.8228 -117.842 119.048 -117.842 32.99 216.193 119.046 216.194 378.352 GPRESSURE: 2928800 58.5176 -106.951 97.8191 -129.737 98.4891 215.546 67.7069 159.677 320.042 PRESSAVG: 2928800 16.0733 14.481 22.2022 14.481 -20.696 50.464 22.2022 50.464 -12.3301 GPRESSAVG: 2928800 16.1449 12.3433 23.2578 16.4783 -20.9408 49.7832 22.6915 50.1098 -12.4226 TIMING: 2928800 CPU: 9147.87, 0.00312709/step Wall: 9147.87, 0.00312709/step, 1.79912 hours remaining, 233.371094 MB of memory in use. ENERGY: 2928800 4001.8803 20589.3521 14524.8909 240.8095 -203351.9373 2544.5620 0.0000 0.0000 51897.5901 -109552.8524 298.2562 -161450.4425 -109194.2689 299.0440 131.8398 159.0161 763239.9781 -5.6510 -5.7395 PRESSURE: 2929000 -321.315 124.513 156.207 124.513 -330.089 -51.3101 156.207 -51.3101 117.324 GPRESSURE: 2929000 -327.788 129.907 191.132 85.4386 -255.016 -37.3583 353.023 30.1668 140.076 PRESSAVG: 2929000 7.57384 -1.7845 -0.0536112 -1.78452 -17.6474 -6.30417 -0.0535841 -6.30412 -6.06615 GPRESSAVG: 2929000 7.21188 -0.211134 1.3154 -3.33819 -18.3364 -5.7726 -3.23166 -5.94598 -4.70659 TIMING: 2929000 CPU: 9148.49, 0.00313639/step Wall: 9148.49, 0.00313639/step, 1.80429 hours remaining, 233.371094 MB of memory in use. ENERGY: 2929000 4065.5965 20583.9739 14488.2719 238.2931 -203605.0559 2928.2527 0.0000 0.0000 52113.8253 -109186.8425 299.4989 -161300.6679 -108834.3488 299.0146 -178.0266 -147.5759 763667.1182 -5.3799 -5.2770 PRESSURE: 2929200 -227.446 63.6583 21.3801 63.6581 -146.489 -92.3066 21.3803 -92.3068 215.781 GPRESSURE: 2929200 -144.432 126.368 -52.3698 72.3761 -192.328 -54.8016 27.4565 -112.195 259.73 PRESSAVG: 2929200 21.6629 54.5691 16.9732 54.5691 -0.912651 11.1392 16.9732 11.1393 12.1565 GPRESSAVG: 2929200 21.0151 53.8817 15.6305 54.7315 0.567679 11.796 18.6107 11.4555 11.8097 TIMING: 2929200 CPU: 9149.12, 0.00314015/step Wall: 9149.12, 0.00314015/step, 1.80628 hours remaining, 233.371094 MB of memory in use. ENERGY: 2929200 3989.6686 20510.0853 14464.0611 264.8370 -203324.0944 2674.6155 0.0000 0.0000 52019.6023 -109401.2246 298.9574 -161420.8269 -109036.7553 299.7224 -52.7181 -25.6766 761844.8425 10.9689 11.1308 PRESSURE: 2929400 535.151 112.255 -180.422 112.255 -202.768 43.5511 -180.422 43.5503 -233.918 GPRESSURE: 2929400 489.621 -8.83526 -82.4698 35.4268 -88.3139 -34.6308 -225.758 -9.90103 -205.063 PRESSAVG: 2929400 82.8456 45.7739 -16.2906 45.7739 -76.2284 -13.5244 -16.2907 -13.5245 -6.94863 GPRESSAVG: 2929400 82.8568 45.8795 -16.8363 44.9458 -76.1239 -15.4456 -14.4363 -14.7513 -6.58017 TIMING: 2929400 CPU: 9149.75, 0.00313865/step Wall: 9149.75, 0.00313865/step, 1.80525 hours remaining, 233.371094 MB of memory in use. ENERGY: 2929400 3928.8797 20369.5986 14443.4208 250.5943 -203173.1335 2841.4264 0.0000 0.0000 52098.7437 -109240.4700 299.4122 -161339.2136 -108867.9798 299.0969 32.8215 65.4146 761993.8762 -0.1105 0.0509 PRESSURE: 2929600 266.665 -203.519 -28.1462 -203.518 288.039 144.893 -28.1457 144.893 116.464 GPRESSURE: 2929600 325.702 -218.352 -48.8606 -38.4224 326.978 163.083 18.7896 152.573 83.4919 PRESSAVG: 2929600 -11.7875 49.7557 4.64313 49.7557 5.79084 -18.4335 4.64309 -18.4334 -13.8105 GPRESSAVG: 2929600 -10.5197 50.5836 4.91971 50.7427 5.57368 -15.9086 2.04947 -17.0489 -14.8579 TIMING: 2929600 CPU: 9150.38, 0.00313204/step Wall: 9150.38, 0.00313204/step, 1.80127 hours remaining, 233.371094 MB of memory in use. ENERGY: 2929600 3851.2104 20503.5694 14475.2105 236.7864 -203398.4559 2705.4419 0.0000 0.0000 52215.4271 -109410.8103 300.0828 -161626.2374 -109057.0266 299.1844 223.7225 245.3907 761251.8631 -6.6024 -6.6013 PRESSURE: 2929800 232.755 -98.7133 -45.8639 -98.7132 486.604 25.6501 -45.8638 25.6488 -152.986 GPRESSURE: 2929800 281.567 -42.2637 -5.29008 -59.0692 421.027 -44.9624 -30.8779 216.555 -38.1435 PRESSAVG: 2929800 18.5384 7.34835 6.42004 7.34829 18.7792 33.6204 6.42 33.6204 1.18425 GPRESSAVG: 2929800 17.6255 7.20824 5.95376 7.24253 17.9332 32.1869 6.45764 33.3193 3.19981 TIMING: 2929800 CPU: 9151, 0.00313445/step Wall: 9151, 0.00313445/step, 1.80248 hours remaining, 233.371094 MB of memory in use. ENERGY: 2929800 3910.9364 20547.2493 14413.8107 258.0977 -203604.0939 2825.6594 0.0000 0.0000 51971.6902 -109676.6502 298.6820 -161648.3404 -109303.6171 299.3592 188.7906 221.4837 760749.0696 12.8340 12.9195 PRESSURE: 2930000 -212.388 -111.36 187.388 -111.361 6.12328 281.334 187.387 281.336 -72.8263 GPRESSURE: 2930000 -142.027 11.8206 233.523 5.35536 6.33609 191.692 100.278 122.836 -69.6111 PRESSAVG: 2930000 20.8788 -20.4345 23.4504 -20.4345 24.0463 83.4656 23.4504 83.4656 -5.93402 GPRESSAVG: 2930000 21.5153 -20.8387 24.9815 -20.4852 25.9561 84.7579 23.1214 83.1146 -8.56742 TIMING: 2930000 CPU: 9151.63, 0.00313421/step Wall: 9151.63, 0.00313421/step, 1.80217 hours remaining, 233.371094 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: 2930000 4041.8985 20389.1089 14396.5556 254.2694 -203300.9400 2666.2963 0.0000 0.0000 51963.6984 -109589.1128 298.6361 -161552.8112 -109222.8646 299.2280 -93.0302 -68.4341 761438.3860 12.9970 12.9680 PRESSURE: 2930200 -48.6614 71.3295 -39.8661 71.3304 386.052 -115.998 -39.8656 -115.998 88.0449 GPRESSURE: 2930200 49.3736 140.506 -27.1654 89.267 433.716 -26.1683 -48.1056 -44.4531 32.6888 PRESSAVG: 2930200 22.8104 -0.609107 17.8858 -0.609131 -38.9303 -9.94751 17.8859 -9.94753 36.8907 GPRESSAVG: 2930200 23.6829 -0.0931319 15.2972 0.332016 -40.2735 -9.11079 19.8033 -11.1837 37.2392 TIMING: 2930200 CPU: 9152.25, 0.00312842/step Wall: 9152.25, 0.00312842/step, 1.79867 hours remaining, 233.371094 MB of memory in use. ENERGY: 2930200 3953.3703 20533.9294 14320.0644 259.0496 -203607.0382 2814.8778 0.0000 0.0000 52053.0576 -109672.6890 299.1496 -161725.7467 -109319.1193 298.7531 141.8118 171.9262 761292.9285 6.9236 6.8829 PRESSURE: 2930400 -274.35 -2.2191 -0.614946 -2.21936 -197.472 71.7505 -0.615519 71.7504 262.784 GPRESSURE: 2930400 -189.229 102.014 -34.6697 3.19013 -156.254 22.297 96.9164 79.7922 217.291 PRESSAVG: 2930400 -23.2474 -31.2295 9.70551 -31.2294 1.55752 0.612216 9.70554 0.612172 -4.91449 GPRESSAVG: 2930400 -23.3282 -29.8361 12.3541 -33.6937 2.51214 -1.39078 9.22118 1.6356 -4.89823 TIMING: 2930400 CPU: 9152.89, 0.00316371/step Wall: 9152.89, 0.00316371/step, 1.81878 hours remaining, 233.371094 MB of memory in use. ENERGY: 2930400 3978.6924 20561.3384 14394.9628 238.4989 -203331.9622 2686.4219 0.0000 0.0000 51957.2395 -109514.8084 298.5990 -161472.0478 -109156.0911 298.8100 -69.6793 -42.7310 762120.4843 -8.8681 -8.5714 PRESSURE: 2930600 -362.825 121.241 121.648 121.24 -347.638 -62.3605 121.649 -62.3609 70.0353 GPRESSURE: 2930600 -351.813 -26.0383 171.322 75.0941 -272.583 -92.6773 105.626 -95.9497 50.1995 PRESSAVG: 2930600 -29.0554 -10.0682 26.0066 -10.0683 -7.10488 48.3714 26.0066 48.3715 11.0532 GPRESSAVG: 2930600 -29.4533 -10.8256 25.3213 -9.61919 -7.98699 48.0764 25.6262 49.4755 12.6699 TIMING: 2930600 CPU: 9153.52, 0.0031488/step Wall: 9153.52, 0.0031488/step, 1.81003 hours remaining, 233.371094 MB of memory in use. ENERGY: 2930600 3932.0549 20764.1987 14414.7866 261.5962 -202820.8917 2215.0452 0.0000 0.0000 52066.7614 -109166.4486 299.2284 -161233.2100 -108812.2811 299.6041 -213.4759 -191.3988 763832.1742 -8.3690 -8.2568 PRESSURE: 2930800 -229.172 96.3137 -66.5372 96.3135 -43.192 107.099 -66.5365 107.099 282.748 GPRESSURE: 2930800 -180.929 -78.7184 45.2704 61.2678 4.06871 100.086 -18.9887 -10.7021 277.713 PRESSAVG: 2930800 -75.1915 -13.3694 -14.255 -13.3693 94.9903 59.2347 -14.255 59.2347 15.155 GPRESSAVG: 2930800 -75.1784 -14.9275 -14.7697 -13.1361 96.1303 59.4946 -14.1926 56.3422 14.363 TIMING: 2930800 CPU: 9154.14, 0.00313189/step Wall: 9154.14, 0.00313189/step, 1.80014 hours remaining, 233.371094 MB of memory in use. ENERGY: 2930800 3954.3915 20553.8705 14487.0190 246.4208 -203174.0429 2403.0814 0.0000 0.0000 52254.1343 -109275.1254 300.3052 -161529.2597 -108901.4913 299.4440 3.4615 33.6175 762350.6857 11.6513 11.7716 PRESSURE: 2931000 -137.547 -18.431 94.8041 -18.4323 251.945 94.1026 94.8037 94.1024 -535.214 GPRESSURE: 2931000 -55.6242 -23.2273 -23.9938 -56.2629 278.355 54.1732 41.4043 -11.4341 -556.287 PRESSAVG: 2931000 -5.63723 52.0457 -36.3866 52.0457 20.6425 110.089 -36.3866 110.089 -0.45608 GPRESSAVG: 2931000 -5.39435 52.6346 -35.7002 54.322 19.6467 111.288 -35.9011 111.959 0.0564405 TIMING: 2931000 CPU: 9154.77, 0.00314576/step Wall: 9154.77, 0.00314576/step, 1.80794 hours remaining, 233.371094 MB of memory in use. ENERGY: 2931000 4003.5422 20584.3318 14416.7026 225.9093 -202932.8130 2437.6673 0.0000 0.0000 51814.3645 -109450.2953 297.7779 -161264.6597 -109093.0953 299.2404 -140.2718 -111.1852 764000.5600 4.8497 4.7696 PRESSURE: 2931200 -132.115 -52.034 41.961 -52.0346 2.49576 -161.448 41.9609 -161.447 -205.225 GPRESSURE: 2931200 -107.034 -122.498 46.329 74.327 -71.8763 -233.937 -141.606 -84.2137 -89.4979 PRESSAVG: 2931200 -43.166 25.6315 38.1896 25.6316 57.9571 25.4113 38.1896 25.4113 -20.2974 GPRESSAVG: 2931200 -42.7343 26.2008 35.4275 24.465 57.8887 26.3241 37.7193 24.4519 -21.5417 TIMING: 2931200 CPU: 9155.4, 0.00313953/step Wall: 9155.4, 0.00313953/step, 1.80418 hours remaining, 233.371094 MB of memory in use. ENERGY: 2931200 4078.0018 20492.7899 14381.7933 260.4431 -203340.6723 2908.0581 0.0000 0.0000 51908.3010 -109311.2850 298.3177 -161219.5861 -108946.5928 298.9347 -111.6148 -89.4693 763357.2819 -1.8354 -2.1291 PRESSURE: 2931400 182.66 87.8096 5.34315 87.8092 -221.057 -115.86 5.34346 -115.859 215.155 GPRESSURE: 2931400 285.382 89.4363 -92.8125 48.1841 -171.099 -24.1266 34.5271 -120.501 151.856 PRESSAVG: 2931400 34.1198 -6.36689 7.15947 -6.36693 -2.7954 -2.89994 7.15942 -2.89992 13.2005 GPRESSAVG: 2931400 33.7658 -5.49181 7.91304 -7.05419 -2.84853 -3.30518 7.31838 -3.48079 13.85 TIMING: 2931400 CPU: 9156.03, 0.00314413/step Wall: 9156.03, 0.00314413/step, 1.80665 hours remaining, 233.371094 MB of memory in use. ENERGY: 2931400 4050.4638 20450.1111 14427.6590 264.6190 -203403.8290 3002.1931 0.0000 0.0000 51975.4591 -109233.3241 298.7037 -161208.7831 -108866.1164 299.5052 58.9192 88.7132 763772.4152 14.8416 14.9224 PRESSURE: 2931600 152.74 -8.26571 230.532 -8.266 -294.105 -30.1503 230.532 -30.1505 -330.679 GPRESSURE: 2931600 149.719 -13.2456 174.513 19.9182 -187.601 -50.7989 312.262 1.68738 -361.205 PRESSAVG: 2931600 37.3037 31.7135 26.6988 31.7135 -12.888 39.651 26.6989 39.651 -43.0647 GPRESSAVG: 2931600 36.9345 29.3785 27.7089 32.4698 -11.7856 37.6333 26.6392 41.3973 -43.4373 TIMING: 2931600 CPU: 9156.66, 0.00313389/step Wall: 9156.66, 0.00313389/step, 1.80059 hours remaining, 233.371094 MB of memory in use. ENERGY: 2931600 4084.7650 20533.8783 14319.2549 254.3490 -203003.5763 2393.7498 0.0000 0.0000 52164.5543 -109253.0252 299.7904 -161417.5794 -108886.7049 299.3672 -157.3482 -133.0291 762601.5101 -6.2163 -6.0961 PRESSURE: 2931800 -40.1165 58.4529 -9.7097 58.4534 -256.199 170.424 -9.70873 170.424 226.743 GPRESSURE: 2931800 60.7978 -28.6277 57.063 -50.1702 -284.696 233.063 13.9744 227.323 236.712 PRESSAVG: 2931800 -15.1147 -42.4693 33.4918 -42.4693 -30.9781 43.5828 33.4918 43.5827 -3.67127 GPRESSAVG: 2931800 -14.5374 -40.5076 33.9177 -42.4776 -32.2094 45.3223 32.5316 44.171 -3.00861 TIMING: 2931800 CPU: 9157.28, 0.00312261/step Wall: 9157.28, 0.00312261/step, 1.79394 hours remaining, 233.371094 MB of memory in use. ENERGY: 2931800 4004.6382 20337.7328 14431.3073 237.2533 -203127.5111 2516.2955 0.0000 0.0000 52363.6222 -109236.6619 300.9345 -161600.2841 -108865.7430 299.7483 -23.1909 4.2714 762836.6417 -16.5880 -16.5852 PRESSURE: 2932000 143.011 -74.9003 26.4358 -74.9 -292.218 154.714 26.4364 154.715 -163.621 GPRESSURE: 2932000 193.252 -13.1207 104.602 -0.478549 -196.478 68.1158 -5.29462 203.267 -230.916 PRESSAVG: 2932000 22.391 -41.4456 44.0573 -41.4456 -16.223 11.0192 44.0573 11.0192 20.5384 GPRESSAVG: 2932000 21.5982 -40.4541 44.8644 -40.6805 -15.7248 11.5204 44.1557 12.4566 20.6375 TIMING: 2932000 CPU: 9157.91, 0.00315525/step Wall: 9157.91, 0.00315525/step, 1.81252 hours remaining, 233.371094 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: 2932000 4011.2909 20506.4021 14500.5624 271.6260 -203189.5110 2589.0349 0.0000 0.0000 52055.6088 -109254.9860 299.1643 -161310.5948 -108894.4731 299.3588 -104.2762 -78.0475 762660.7251 8.9021 8.8370 PRESSURE: 2932200 13.7984 112.614 -90.6052 112.614 -45.7892 100.025 -90.6052 100.026 3.02747 GPRESSURE: 2932200 60.8862 81.0052 -176.814 126.168 -54.2022 86.2778 -108.791 90.653 42.3753 PRESSAVG: 2932200 -15.3863 -44.7074 -0.870712 -44.7074 -6.45762 24.7211 -0.870732 24.7211 7.04948 GPRESSAVG: 2932200 -15.4105 -46.2102 -2.43184 -43.8569 -6.15726 24.204 1.21379 23.1612 7.24018 TIMING: 2932200 CPU: 9158.54, 0.00312719/step Wall: 9158.54, 0.00312719/step, 1.79623 hours remaining, 233.371094 MB of memory in use. ENERGY: 2932200 4012.9331 20489.0509 14396.2781 255.0450 -203063.8988 2661.7057 0.0000 0.0000 52095.6271 -109153.2589 299.3943 -161248.8861 -108786.8835 299.4702 -9.6545 16.3531 764455.7118 -4.9315 -4.7758 LDB: ============= START OF LOAD BALANCING ============== 9171.01 LDB: ============== END OF LOAD BALANCING =============== 9171.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9171.02 LDB: ============= START OF LOAD BALANCING ============== 9171.33 LDB: Largest compute 7030 load 0.028517 is 14.6% of average load 0.195210 LDB: Average compute 0.004367 is 2.2% of average load 0.195210 LDB: TIME 9171.33 LOAD: AVG 0.19521 MAX 0.21402 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.918 MB LDB: TIME 9171.33 LOAD: AVG 0.19521 MAX 0.21402 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.012 MB LDB: TIME 9171.33 LOAD: AVG 0.19521 MAX 0.21402 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.012 MB LDB: ============== END OF LOAD BALANCING =============== 9171.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9171.34 PRESSURE: 2932400 -322.54 -18.2211 17.1618 -18.2198 71.8601 242.49 17.1623 242.49 -314.241 GPRESSURE: 2932400 -234.315 11.2048 -11.0723 -97.3151 18.9128 325.88 -21.7509 232.594 -259.211 PRESSAVG: 2932400 -2.67129 -17.1777 -1.97115 -17.1777 -26.1645 7.75911 -1.97109 7.75917 8.06896 GPRESSAVG: 2932400 -0.569783 -16.2303 -0.55955 -16.5052 -27.4216 6.74262 -3.11615 8.14464 7.17841 TIMING: 2932400 CPU: 9159.17, 0.003174/step Wall: 9159.17, 0.003174/step, 1.82293 hours remaining, 235.722656 MB of memory in use. ENERGY: 2932400 3917.6745 20643.1496 14429.4747 261.8880 -203000.7508 2639.7558 0.0000 0.0000 52074.1562 -109034.6521 299.2709 -161108.8083 -108675.7633 299.8021 -188.3067 -158.2045 763079.9885 -6.9223 -6.9376 PRESSURE: 2932600 102.05 57.6577 -24.3463 57.6573 -69.7047 -180.934 -24.3464 -180.935 -228.699 GPRESSURE: 2932600 95.7225 20.5281 -17.9399 -9.18711 1.18203 -153.714 -141.868 -279.767 -205.936 PRESSAVG: 2932600 50.114 -14.6422 29.989 -14.6421 -26.6617 5.41828 29.9891 5.41824 17.5952 GPRESSAVG: 2932600 47.7728 -14.9699 27.8183 -14.7895 -26.0784 6.65133 32.1391 4.9843 19.0481 TIMING: 2932600 CPU: 9159.8, 0.00311871/step Wall: 9159.8, 0.00311871/step, 1.79101 hours remaining, 235.980469 MB of memory in use. ENERGY: 2932600 3977.5739 20646.4188 14435.9746 260.0246 -203366.1938 2731.1967 0.0000 0.0000 52209.1925 -109105.8127 300.0469 -161315.0052 -108748.5291 299.7512 -65.4513 -36.3438 761651.0133 13.6825 13.5808 PRESSURE: 2932800 34.2452 -122.871 -37.0129 -122.872 -385.15 -156.748 -37.0126 -156.748 -385.657 GPRESSURE: 2932800 42.6472 -90.5961 -34.3187 -188.003 -280.708 -175.042 13.1304 -165.164 -419.955 PRESSAVG: 2932800 24.0029 -21.6794 54.723 -21.6793 -2.13243 -70.6495 54.723 -70.6495 10.1119 GPRESSAVG: 2932800 24.9875 -20.7328 57.1706 -23.6786 -1.42219 -69.763 51.7999 -71.3067 8.40166 TIMING: 2932800 CPU: 9160.42, 0.00312317/step Wall: 9160.42, 0.00312317/step, 1.79339 hours remaining, 235.980469 MB of memory in use. ENERGY: 2932800 4026.5984 20489.1995 14403.4611 246.8270 -203124.2086 2568.1839 0.0000 0.0000 52121.6073 -109268.3313 299.5436 -161389.9386 -108905.4791 299.2976 -245.5207 -219.3384 761548.3043 10.6608 10.6556 PRESSURE: 2933000 -166.403 86.6285 -42.3482 86.6278 -180.908 112.595 -42.3475 112.596 266.374 GPRESSURE: 2933000 -128.086 -44.0884 -91.8567 123.169 -164.231 147.659 -22.5781 201.597 279.358 PRESSAVG: 2933000 22.1242 0.0382665 26.9439 0.038247 13.2078 14.2218 26.9438 14.2217 -18.6364 GPRESSAVG: 2933000 20.7258 -3.01333 25.5783 1.92451 13.5075 13.1278 28.6133 14.325 -17.6859 TIMING: 2933000 CPU: 9161.04, 0.00311797/step Wall: 9161.04, 0.00311797/step, 1.79023 hours remaining, 235.980469 MB of memory in use. ENERGY: 2933000 4017.0667 20730.7911 14407.0809 243.8197 -202996.2414 2351.5523 0.0000 0.0000 52186.3304 -109059.6004 299.9156 -161245.9308 -108699.0012 299.1934 -26.9793 -4.3195 762591.3707 5.5652 5.5158 PRESSURE: 2933200 153.733 16.064 181.951 16.063 35.483 306.922 181.951 306.922 -549.681 GPRESSURE: 2933200 66.9206 -80.4006 232.243 16.1207 22.1696 236.515 170.954 212.669 -375.106 PRESSAVG: 2933200 -15.5313 26.263 -1.46298 26.263 41.8873 2.91723 -1.46291 2.91727 18.0879 GPRESSAVG: 2933200 -15.0735 27.9546 -2.3576 23.4512 41.4725 1.97672 -2.0379 5.57466 17.7238 TIMING: 2933200 CPU: 9161.67, 0.00311878/step Wall: 9161.67, 0.00311878/step, 1.79052 hours remaining, 235.980469 MB of memory in use. ENERGY: 2933200 3999.4717 20568.9600 14424.8177 249.0411 -203312.5328 2657.4924 0.0000 0.0000 52356.0633 -109056.6866 300.8910 -161412.7500 -108685.9339 299.2180 -120.1550 -95.3386 763050.3555 14.8146 14.7076 PRESSURE: 2933400 -321.711 19.3305 112.013 19.3297 -114.541 -169.276 112.014 -169.274 -0.874053 GPRESSURE: 2933400 -197.07 9.7227 231.944 -6.48869 -167.534 -174.537 31.2167 -4.52036 19.1308 PRESSAVG: 2933400 -18.0091 4.49898 26.349 4.49899 -19.6494 -1.34959 26.349 -1.34952 -16.1326 GPRESSAVG: 2933400 -17.3751 2.26294 28.5066 6.02151 -19.9757 -0.405801 26.4823 -3.28057 -15.7807 TIMING: 2933400 CPU: 9162.29, 0.00311594/step Wall: 9162.29, 0.00311594/step, 1.78872 hours remaining, 235.980469 MB of memory in use. ENERGY: 2933400 4010.9367 20422.1725 14400.3962 268.9608 -203071.4202 2462.7127 0.0000 0.0000 52203.0532 -109303.1881 300.0117 -161506.2413 -108929.5115 299.2210 -145.7084 -115.1577 763447.4539 -17.9304 -17.7105 PRESSURE: 2933600 -158.914 102.707 118.43 102.706 116.537 77.775 118.43 77.7753 -33.6956 GPRESSURE: 2933600 -19.3312 -39.7512 73.4404 66.3704 107.72 81.9407 100.484 63.7904 -84.0825 PRESSAVG: 2933600 78.1573 -27.4012 49.9973 -27.4013 -83.9862 -32.882 49.9974 -32.8819 -9.60892 GPRESSAVG: 2933600 77.9958 -26.397 49.5539 -28.8075 -84.0535 -32.2792 47.8731 -33.5052 -9.6475 TIMING: 2933600 CPU: 9162.91, 0.00310273/step Wall: 9162.91, 0.00310273/step, 1.78097 hours remaining, 235.980469 MB of memory in use. ENERGY: 2933600 4030.4605 20428.4817 14397.8290 236.1852 -203123.3778 2920.2591 0.0000 0.0000 51921.0664 -109189.0961 298.3911 -161110.1625 -108824.8654 299.2968 -25.3576 1.4354 764936.0868 -5.1459 -5.2351 PRESSURE: 2933800 -12.1185 136.809 -206.73 136.808 133.957 62.064 -206.73 62.064 0.0417272 GPRESSURE: 2933800 -39.3792 156.23 -205.625 192.755 169.278 76.7009 -116.339 26.2112 69.2369 PRESSAVG: 2933800 -15.286 4.44362 -2.95925 4.44366 10.5211 -47.8489 -2.95928 -47.849 14.9564 GPRESSAVG: 2933800 -14.9349 5.97917 -5.35132 5.03088 12.145 -48.3887 -2.31395 -45.1175 13.312 TIMING: 2933800 CPU: 9163.54, 0.00311835/step Wall: 9163.54, 0.00311835/step, 1.78976 hours remaining, 235.980469 MB of memory in use. ENERGY: 2933800 3950.2591 20604.0133 14309.1558 225.3678 -203294.3454 2943.9815 0.0000 0.0000 51916.4946 -109345.0733 298.3648 -161261.5679 -108984.5071 298.7473 40.6267 66.3787 763995.4550 3.3972 3.5074 PRESSURE: 2934000 163.705 39.4236 125.387 39.4235 143.288 -46.2995 125.387 -46.2995 157.694 GPRESSURE: 2934000 182.776 107.011 82.0861 70.3903 205.062 -75.9091 95.2316 9.83881 154.893 PRESSAVG: 2934000 5.6611 53.3372 42.1565 53.3372 -0.26756 9.18362 42.1565 9.1836 -4.07688 GPRESSAVG: 2934000 5.75057 52.5519 43.9032 53.7569 -1.38315 8.11525 43.9816 7.24071 -3.27208 TIMING: 2934000 CPU: 9164.16, 0.00311013/step Wall: 9164.16, 0.00311014/step, 1.78487 hours remaining, 235.980469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2934000 3967.3154 20488.7854 14353.4581 240.5002 -203734.4121 2954.0815 0.0000 0.0000 52217.9697 -109512.3017 300.0974 -161730.2714 -109149.2138 298.4685 154.8957 180.9103 762164.1570 0.4389 0.3651 PRESSURE: 2934200 237.256 82.3005 -188.349 82.3005 -120.043 -74.715 -188.349 -74.7149 314.732 GPRESSURE: 2934200 316.744 105.915 -145.096 41.8464 -66.2274 -108.171 -203.506 -149.054 263.348 PRESSAVG: 2934200 79.8806 2.40149 7.21134 2.40139 -34.0579 3.37451 7.21137 3.37458 -5.24126 GPRESSAVG: 2934200 78.9549 1.28412 7.82902 2.16817 -33.8013 4.27658 5.9128 3.4582 -4.49288 TIMING: 2934200 CPU: 9164.78, 0.00313048/step Wall: 9164.78, 0.00313048/step, 1.79637 hours remaining, 235.980469 MB of memory in use. ENERGY: 2934200 4007.9160 20384.8054 14337.7781 235.4992 -203424.0920 2774.4849 0.0000 0.0000 52242.3983 -109441.2102 300.2378 -161683.6085 -109078.9102 298.4591 143.9815 171.2883 760747.6202 13.5272 13.5536 PRESSURE: 2934400 -184.091 -248.136 316.533 -248.135 -46.911 186.463 316.533 186.462 -45.0566 GPRESSURE: 2934400 -173.974 -278.838 292.684 -234.847 58.8522 181.159 145.318 119.738 -55.8585 PRESSAVG: 2934400 35.0566 6.80904 -27.4187 6.80904 -20.2055 17.4203 -27.4186 17.4202 -6.22081 GPRESSAVG: 2934400 35.1849 6.81444 -26.2199 9.29743 -20.2682 18.3268 -27.6085 19.1997 -6.92806 TIMING: 2934400 CPU: 9165.41, 0.00313273/step Wall: 9165.41, 0.00313273/step, 1.79749 hours remaining, 235.980469 MB of memory in use. ENERGY: 2934400 4085.0318 20466.2411 14284.8124 235.7941 -203135.5590 2507.2962 0.0000 0.0000 52063.9701 -109492.4133 299.2124 -161556.3835 -109133.3070 299.2137 -92.0195 -56.9935 762373.6459 2.8767 2.6629 PRESSURE: 2934600 8.66497 12.2858 212.205 12.2863 -130.855 -75.0957 212.206 -75.0948 311.245 GPRESSURE: 2934600 11.9441 11.2632 147.171 17.8732 -72.7528 -57.0114 176.302 -23.3932 323.666 PRESSAVG: 2934600 -43.8618 37.9808 -4.22509 37.9808 25.6853 -25.7218 -4.22514 -25.7219 20.5888 GPRESSAVG: 2934600 -42.7212 36.7438 -6.90457 37.2769 24.6277 -25.4331 -4.93707 -27.3285 20.7859 TIMING: 2934600 CPU: 9166.03, 0.00310852/step Wall: 9166.03, 0.00310852/step, 1.78343 hours remaining, 235.980469 MB of memory in use. ENERGY: 2934600 4011.5213 20426.3969 14390.1706 260.8657 -203733.7043 2825.0952 0.0000 0.0000 52349.2949 -109470.3597 300.8521 -161819.6546 -109105.7222 299.2005 63.0183 87.6191 762122.2789 0.8041 0.8975 PRESSURE: 2934800 -5.67336 -42.8704 -221.01 -42.8715 15.9378 -236.762 -221.01 -236.761 -247.246 GPRESSURE: 2934800 47.8786 -189.728 -204.415 -130.382 37.9466 -292.016 -114.013 -232.991 -245.049 PRESSAVG: 2934800 -9.48637 59.9721 -0.768947 59.9721 -33.5236 -51.8696 -0.768986 -51.8696 -19.6239 GPRESSAVG: 2934800 -10.4141 61.7498 0.677995 61.4464 -32.3028 -50.8098 0.288694 -52.9971 -19.743 TIMING: 2934800 CPU: 9166.66, 0.00312848/step Wall: 9166.66, 0.00312848/step, 1.79471 hours remaining, 235.980469 MB of memory in use. ENERGY: 2934800 3993.3279 20521.1099 14388.1415 219.6976 -202997.7258 2605.0039 0.0000 0.0000 51970.2528 -109300.1921 298.6738 -161270.4449 -108948.5749 299.0842 -78.9938 -53.0746 763196.4324 -20.8779 -20.8200 PRESSURE: 2935000 85.2398 173.919 27.3289 173.919 18.5133 65.1981 27.3287 65.1988 285.188 GPRESSURE: 2935000 127.465 162.315 -60.6922 172.547 36.6077 89.925 -64.9521 63.7686 324.578 PRESSAVG: 2935000 9.3204 23.4864 -27.5232 23.4864 -13.0898 41.0591 -27.5231 41.0592 14.4821 GPRESSAVG: 2935000 10.0135 24.673 -26.6892 20.6919 -12.767 39.1235 -28.6686 42.9191 13.9248 TIMING: 2935000 CPU: 9167.28, 0.00311804/step Wall: 9167.28, 0.00311804/step, 1.78854 hours remaining, 235.980469 MB of memory in use. ENERGY: 2935000 3976.7336 20475.2718 14452.0563 255.7642 -203344.9709 2631.8134 0.0000 0.0000 52205.5253 -109347.8063 300.0259 -161553.3315 -108986.1479 299.1866 129.6470 162.8835 760170.0912 3.5709 3.7238 PRESSURE: 2935200 -226.742 -52.0829 -79.2572 -52.0837 -129.998 83.9945 -79.2572 83.9938 -141.277 GPRESSURE: 2935200 -218.423 30.0143 -15.4444 -116.001 -59.0953 142.363 -20.9691 157.22 -145.992 PRESSAVG: 2935200 1.18104 -11.6955 -8.67059 -11.6956 23.489 2.34118 -8.67057 2.34124 4.52569 GPRESSAVG: 2935200 0.14435 -12.2362 -9.42083 -13.7989 22.3508 2.95761 -9.46532 2.75431 7.066 TIMING: 2935200 CPU: 9167.91, 0.00312866/step Wall: 9167.91, 0.00312866/step, 1.79446 hours remaining, 235.980469 MB of memory in use. ENERGY: 2935200 4054.2223 20560.0206 14403.8392 233.7346 -203055.3466 2679.4770 0.0000 0.0000 51717.2693 -109406.7836 297.2199 -161124.0529 -109056.4981 299.3006 -166.0058 -141.1703 762873.0027 9.7319 9.8537 PRESSURE: 2935400 -169.301 171.009 -90.0541 171.009 157.184 -86.1758 -90.0539 -86.1772 -255.492 GPRESSURE: 2935400 1.8143 119.494 0.596632 85.6933 82.0308 -133.979 -158.017 -188.083 -261.28 PRESSAVG: 2935400 5.09135 -64.4972 -42.5543 -64.4972 -28.5836 16.3482 -42.5543 16.3482 -2.85727 GPRESSAVG: 2935400 5.15908 -66.3008 -42.5054 -64.6178 -27.0035 14.8416 -41.3404 15.9938 -3.9727 TIMING: 2935400 CPU: 9168.53, 0.00312277/step Wall: 9168.53, 0.00312277/step, 1.79091 hours remaining, 235.980469 MB of memory in use. ENERGY: 2935400 3976.0686 20392.4405 14387.8922 222.3542 -203119.3215 2864.8874 0.0000 0.0000 52041.3576 -109234.3211 299.0824 -161275.6787 -108873.8340 299.0732 -89.2030 -59.1450 763112.1631 -8.7832 -8.6057 PRESSURE: 2935600 83.0813 35.3223 -65.8057 35.3227 -110.019 37.6475 -65.8064 37.6472 200.164 GPRESSURE: 2935600 115.646 68.9834 55.2471 130.911 -88.4697 40.5372 -150.709 -83.0659 261.713 PRESSAVG: 2935600 23.4199 -32.2911 15.843 -32.291 -38.379 -5.38784 15.843 -5.38783 10.8048 GPRESSAVG: 2935600 25.3175 -30.7144 14.6716 -29.5672 -38.9627 -3.97081 16.6612 -5.84039 9.66437 TIMING: 2935600 CPU: 9169.16, 0.00312976/step Wall: 9169.16, 0.00312976/step, 1.79474 hours remaining, 235.980469 MB of memory in use. ENERGY: 2935600 3945.5784 20541.9254 14430.3796 235.3887 -203278.6898 2902.3786 0.0000 0.0000 51903.1051 -109319.9340 298.2879 -161223.0391 -108961.0722 299.3715 57.7421 96.2964 763460.1245 -1.3848 -1.3269 PRESSURE: 2935800 -517.227 108.254 -88.6863 108.253 -187.464 91.4381 -88.6859 91.438 -267.078 GPRESSURE: 2935800 -551.721 143.561 -118.793 123.662 -114.452 118.541 -88.7508 58.7824 -220.842 PRESSAVG: 2935800 -22.4295 34.1576 -28.1862 34.1576 -2.18938 -49.5246 -28.1862 -49.5246 7.23025 GPRESSAVG: 2935800 -22.6336 34.4179 -29.6091 34.5849 -2.75756 -49.3405 -30.1353 -48.9291 8.33866 TIMING: 2935800 CPU: 9169.78, 0.00313234/step Wall: 9169.78, 0.00313234/step, 1.79605 hours remaining, 235.980469 MB of memory in use. ENERGY: 2935800 3995.3178 20490.3166 14494.1293 239.7575 -202904.6696 2516.6912 0.0000 0.0000 51847.8602 -109320.5971 297.9704 -161168.4573 -108957.1155 298.8927 -323.9231 -295.6715 763775.5976 -5.7962 -5.6842 PRESSURE: 2936000 -91.3428 27.6905 -235.433 27.6898 -534.503 76.4481 -235.433 76.4477 -95.4855 GPRESSURE: 2936000 -5.3403 -10.8157 -151.251 -9.29741 -512.926 73.2919 -141.085 -45.6368 -121.59 PRESSAVG: 2936000 54.1507 4.06169 -28.7993 4.06165 -35.5994 9.6404 -28.7994 9.64036 15.6316 GPRESSAVG: 2936000 54.0868 2.00199 -28.2794 5.40204 -34.5448 9.59354 -27.5719 8.38232 14.3285 TIMING: 2936000 CPU: 9170.41, 0.00311823/step Wall: 9170.41, 0.00311823/step, 1.78778 hours remaining, 235.980469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2936000 3998.6059 20412.5207 14334.4323 266.3902 -203098.2133 2559.1096 0.0000 0.0000 52240.3645 -109286.7900 300.2261 -161527.1545 -108929.4025 298.8954 -240.4436 -213.2853 762940.3298 11.3943 11.2901 PRESSURE: 2936200 -2.61484 81.225 222.757 81.2241 -10.3127 -50.0117 222.756 -50.0116 137.553 GPRESSURE: 2936200 25.8294 58.5429 209.468 101.548 -50.1306 -102.363 13.5634 -4.5416 224.036 PRESSAVG: 2936200 52.918 -30.6348 0.854343 -30.6349 -43.6908 -40.4045 0.854335 -40.4044 -31.2015 GPRESSAVG: 2936200 52.5743 -27.0544 2.81509 -32.5863 -45.6785 -42.7955 -0.067139 -39.0179 -28.692 TIMING: 2936200 CPU: 9171.03, 0.00313107/step Wall: 9171.03, 0.00313107/step, 1.79497 hours remaining, 236.050781 MB of memory in use. ENERGY: 2936200 4031.8414 20569.9152 14401.3849 249.4731 -203292.2954 2661.4372 0.0000 0.0000 52081.8073 -109296.4363 299.3149 -161378.2436 -108928.1700 298.9538 41.5420 66.5784 762816.8443 -7.3248 -7.2654 LDB: ============= START OF LOAD BALANCING ============== 9183.51 LDB: ============== END OF LOAD BALANCING =============== 9183.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9183.51 LDB: ============= START OF LOAD BALANCING ============== 9183.83 LDB: Largest compute 7030 load 0.029016 is 14.9% of average load 0.195092 LDB: Average compute 0.004394 is 2.3% of average load 0.195092 LDB: TIME 9183.83 LOAD: AVG 0.195092 MAX 0.215143 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.566 MB LDB: TIME 9183.83 LOAD: AVG 0.195092 MAX 0.215143 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.57 MB LDB: TIME 9183.83 LOAD: AVG 0.195092 MAX 0.215143 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.57 MB LDB: ============== END OF LOAD BALANCING =============== 9183.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9183.84 PRESSURE: 2936400 -51.776 -28.4762 -61.9996 -28.4761 -66.6431 36.9166 -61.9999 36.9166 -46.7158 GPRESSURE: 2936400 -20.153 -98.7525 -174.399 14.0905 -80.3964 87.8258 25.0055 126.814 6.06249 PRESSAVG: 2936400 -22.8344 55.8897 4.32078 55.8896 -8.22792 -25.7668 4.32076 -25.7668 -3.6216 GPRESSAVG: 2936400 -23.2456 54.0092 3.19729 57.4734 -7.34967 -22.4368 4.03548 -27.0074 -4.35901 TIMING: 2936400 CPU: 9171.67, 0.00319549/step Wall: 9171.67, 0.00319549/step, 1.83172 hours remaining, 235.523438 MB of memory in use. ENERGY: 2936400 4016.2755 20402.2380 14389.5500 249.8160 -202849.8113 2452.3258 0.0000 0.0000 52128.1266 -109211.4794 299.5811 -161339.6060 -108841.1503 299.1581 -55.0450 -31.4956 764072.6688 -11.5613 -11.6514 PRESSURE: 2936600 41.6444 -120.247 19.1149 -120.246 -221.888 89.0414 19.1153 89.0413 -77.1379 GPRESSURE: 2936600 -28.4182 -157.779 9.52619 -84.4215 -39.4609 148.05 9.15291 42.1786 -99.5339 PRESSAVG: 2936600 68.6555 -30.9702 29.3695 -30.9702 -48.3656 -26.2567 29.3694 -26.2567 23.0754 GPRESSAVG: 2936600 68.0021 -31.3697 30.5346 -31.9566 -47.3804 -27.9964 29.0107 -23.883 23.1663 TIMING: 2936600 CPU: 9172.3, 0.00311656/step Wall: 9172.3, 0.00311656/step, 1.78631 hours remaining, 235.726562 MB of memory in use. ENERGY: 2936600 3973.5592 20630.9159 14383.4813 229.0552 -202966.3674 2538.4638 0.0000 0.0000 52069.4681 -109141.4240 299.2439 -161210.8922 -108794.9882 299.3433 -85.7940 -55.8044 763826.4442 14.4551 14.5960 PRESSURE: 2936800 376.424 -68.2168 -305.981 -68.2167 -255.188 -181.195 -305.982 -181.195 144.64 GPRESSURE: 2936800 331.758 -84.2036 -310.771 -98.3052 -160.637 -149.229 -379.97 -185.616 181.968 PRESSAVG: 2936800 45.8239 -41.8249 -33.6048 -41.8249 -40.2533 -29.2237 -33.6049 -29.2237 -1.1603 GPRESSAVG: 2936800 47.8309 -40.3807 -33.8607 -42.7099 -41.3671 -29.1662 -31.7815 -29.6103 -1.43383 TIMING: 2936800 CPU: 9172.92, 0.00311087/step Wall: 9172.92, 0.00311087/step, 1.78287 hours remaining, 235.726562 MB of memory in use. ENERGY: 2936800 3936.0142 20709.4551 14407.5724 238.7613 -203296.1675 2682.2700 0.0000 0.0000 52165.9488 -109156.1457 299.7984 -161322.0945 -108802.3431 299.6005 88.6256 117.6964 762720.6564 1.4701 1.6767 PRESSURE: 2937000 -299.049 -7.87603 161.862 -7.87658 -307.149 70.4172 161.863 70.4184 -362.87 GPRESSURE: 2937000 -227.953 137.238 179.112 -54.2984 -305.325 58.6209 28.9873 33.119 -356.653 PRESSAVG: 2937000 -1.78732 7.95785 9.76123 7.95793 8.77532 -14.6979 9.76115 -14.6979 17.959 GPRESSAVG: 2937000 -2.62211 6.60761 10.15 10.0721 10.7942 -12.4427 7.21 -14.2116 17.0282 TIMING: 2937000 CPU: 9173.54, 0.00312392/step Wall: 9173.54, 0.00312392/step, 1.79018 hours remaining, 235.726562 MB of memory in use. ENERGY: 2937000 4037.1557 20539.8887 14414.2157 250.6820 -203299.3196 2510.4912 0.0000 0.0000 52225.9548 -109320.9316 300.1433 -161546.8864 -108965.3147 299.0460 -323.0228 -296.6436 762586.5983 8.3157 8.4001 PRESSURE: 2937200 -86.5544 29.6935 -105.202 29.6939 -160.473 -67.9247 -105.202 -67.9256 114.651 GPRESSURE: 2937200 -96.0144 11.6512 -103.881 160.21 -163.205 -92.4362 -100.67 -45.8317 209.602 PRESSAVG: 2937200 14.4925 4.73554 -22.9096 4.73547 -56.4217 -23.469 -22.9096 -23.4691 4.01816 GPRESSAVG: 2937200 14.0536 4.09848 -23.5776 4.00245 -57.7116 -24.2557 -20.8137 -23.1545 5.81336 TIMING: 2937200 CPU: 9174.17, 0.00313974/step Wall: 9174.17, 0.00313974/step, 1.79907 hours remaining, 235.726562 MB of memory in use. ENERGY: 2937200 3979.6011 20578.8559 14399.1857 229.9029 -203631.3547 2860.3768 0.0000 0.0000 52395.5355 -109187.8967 301.1179 -161583.4322 -108824.8270 299.3143 -44.1255 -16.5389 762176.3702 -12.6370 -12.6149 PRESSURE: 2937400 44.6487 -26.3701 -243.652 -26.3702 -5.72221 -114.528 -243.653 -114.527 168.851 GPRESSURE: 2937400 143.488 3.14755 -285.406 18.3693 -36.5542 -222.642 -291.194 -35.7562 186.365 PRESSAVG: 2937400 31.8079 -2.99206 -68.8234 -2.99208 34.6149 -4.01591 -68.8234 -4.01582 5.21859 GPRESSAVG: 2937400 30.9279 -3.54023 -68.6098 -2.85998 35.3844 -5.56618 -70.1838 -6.38504 5.00433 TIMING: 2937400 CPU: 9174.79, 0.0031179/step Wall: 9174.79, 0.0031179/step, 1.78638 hours remaining, 235.726562 MB of memory in use. ENERGY: 2937400 4026.7084 20576.9174 14388.2333 232.2102 -203149.3482 2786.8290 0.0000 0.0000 51972.5944 -109165.8554 298.6872 -161138.4499 -108797.4537 299.9591 69.2592 97.7664 761351.2716 23.8805 23.7722 PRESSURE: 2937600 46.9743 73.1185 16.8108 73.1189 -430.423 78.0408 16.8123 78.0403 -143.464 GPRESSURE: 2937600 103.037 2.44906 39.1993 47.4584 -422.568 119.257 11.7633 -12.3267 -116.093 PRESSAVG: 2937600 33.1921 -33.5314 17.3916 -33.5314 -46.6414 31.467 17.3917 31.4669 -6.61116 GPRESSAVG: 2937600 33.4522 -29.8082 15.6884 -34.0828 -46.5394 32.0856 17.2592 32.5114 -7.16452 TIMING: 2937600 CPU: 9175.42, 0.00311791/step Wall: 9175.42, 0.00311791/step, 1.78621 hours remaining, 235.726562 MB of memory in use. ENERGY: 2937600 4017.9733 20638.9310 14456.1991 248.7117 -203617.8909 2725.3811 0.0000 0.0000 52271.0724 -109259.6225 300.4026 -161530.6949 -108892.6640 299.6935 -175.6376 -145.2080 761166.3745 -6.6868 -6.7506 PRESSURE: 2937800 -650.324 1.61319 -65.6913 1.61212 -6.37544 134.184 -65.6922 134.183 -288.368 GPRESSURE: 2937800 -495.378 -39.3721 -87.0854 -8.85454 -65.7843 129.838 105.455 123.899 -302.829 PRESSAVG: 2937800 50.911 -2.50508 17.5098 -2.50509 -60.0743 -32.0449 17.5098 -32.045 19.1263 GPRESSAVG: 2937800 52.8564 -3.91345 19.4111 -3.38102 -61.171 -31.9937 19.4111 -32.2426 18.5739 TIMING: 2937800 CPU: 9176.04, 0.00311582/step Wall: 9176.04, 0.00311582/step, 1.78484 hours remaining, 235.726562 MB of memory in use. ENERGY: 2937800 4014.8153 20650.3592 14411.5471 253.9369 -203171.4022 2466.0750 0.0000 0.0000 52152.7757 -109221.8929 299.7227 -161374.6687 -108863.7449 299.7372 -315.0226 -287.9972 762034.7257 3.3210 3.4198 PRESSURE: 2938000 117.654 31.4929 322.562 31.4937 -199.814 -91.1931 322.563 -91.1931 -240.835 GPRESSURE: 2938000 79.027 -79.0063 307.602 53.633 -181.149 -45.1339 249.734 -168.137 -161.981 PRESSAVG: 2938000 31.8864 53.7421 3.69426 53.7421 -62.4337 -29.4951 3.69429 -29.4951 8.7331 GPRESSAVG: 2938000 29.6239 51.6101 3.82496 55.1691 -60.8284 -29.2018 2.04699 -27.7028 9.47807 TIMING: 2938000 CPU: 9176.66, 0.00310901/step Wall: 9176.66, 0.00310901/step, 1.78077 hours remaining, 235.726562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2938000 4030.5027 20471.8112 14448.0715 248.2792 -202877.1557 2544.8360 0.0000 0.0000 51949.0835 -109184.5717 298.5521 -161133.6552 -108816.0482 299.3338 -107.6647 -88.0341 763369.4717 -7.2714 -7.2421 PRESSURE: 2938200 -140.842 219.432 -150.981 219.432 313.663 -8.18255 -150.98 -8.18205 339.751 GPRESSURE: 2938200 -37.7458 166.849 -42.1107 184.215 361.41 -10.0718 -52.9895 51.5963 280.022 PRESSAVG: 2938200 -41.907 -4.73296 35.8731 -4.73295 37.6851 -25.2456 35.8731 -25.2456 4.91911 GPRESSAVG: 2938200 -40.6968 -4.28381 36.2389 -4.93294 35.6505 -25.2566 37.4485 -25.5707 5.26543 TIMING: 2938200 CPU: 9177.28, 0.00310682/step Wall: 9177.28, 0.00310682/step, 1.77935 hours remaining, 235.726562 MB of memory in use. ENERGY: 2938200 3981.1956 20489.6286 14495.0326 247.1331 -202861.9061 2418.2231 0.0000 0.0000 52202.2375 -109028.4556 300.0070 -161230.6930 -108663.3376 299.4085 170.8575 201.2288 760062.5791 0.2324 0.0730 PRESSURE: 2938400 160.927 -73.1191 -45.4838 -73.1184 31.0599 -95.6469 -45.4843 -95.6474 -404.412 GPRESSURE: 2938400 105.672 -90.9833 -67.7762 -49.4392 113.085 -157.913 -126.637 -150.795 -339.167 PRESSAVG: 2938400 -9.20486 11.1714 -3.40561 11.1714 34.5618 -61.1242 -3.40554 -61.1242 12.244 GPRESSAVG: 2938400 -9.12045 13.1924 -3.11208 11.0862 34.3695 -62.5424 -4.04744 -61.4545 12.2504 TIMING: 2938400 CPU: 9177.91, 0.00310699/step Wall: 9177.91, 0.00310698/step, 1.77927 hours remaining, 235.726562 MB of memory in use. ENERGY: 2938400 4004.4398 20541.4787 14448.9816 249.0035 -202725.6445 2332.1147 0.0000 0.0000 52171.8026 -108977.8234 299.8321 -161149.6261 -108617.5509 300.0726 -70.8082 -40.1366 762693.9610 12.5336 12.4998 PRESSURE: 2938600 78.8245 178.92 -100.621 178.921 377.382 70.6421 -100.622 70.6423 -313.754 GPRESSURE: 2938600 84.0745 172.643 -98.2594 122.848 451.807 170.193 -40.7278 -17.9109 -292.639 PRESSAVG: 2938600 -30.8026 44.7124 38.1858 44.7124 69.0545 -43.3276 38.1858 -43.3276 7.09993 GPRESSAVG: 2938600 -30.5015 43.913 36.4208 44.8356 68.8004 -41.8277 38.0197 -43.8715 7.42371 TIMING: 2938600 CPU: 9178.53, 0.00311077/step Wall: 9178.53, 0.00311077/step, 1.78126 hours remaining, 235.726562 MB of memory in use. ENERGY: 2938600 3983.5934 20621.1671 14449.7452 230.2561 -202852.5341 2477.6628 0.0000 0.0000 51997.0364 -109093.0731 298.8277 -161090.1095 -108734.6804 299.6981 47.4843 81.0810 761923.7182 15.1173 15.2409 PRESSURE: 2938800 400.706 -133.135 -58.9555 -133.135 150.049 108.848 -58.9553 108.847 87.4352 GPRESSURE: 2938800 339.095 -83.6882 -43.4053 -64.1365 234.87 9.31619 -11.9525 117.747 137.141 PRESSAVG: 2938800 22.4696 -0.116651 -23.2823 -0.116642 -15.2515 -23.9508 -23.2823 -23.9508 -0.572836 GPRESSAVG: 2938800 21.7895 -0.593598 -24.8286 0.725818 -15.3684 -25.8191 -22.3472 -22.9881 0.132467 TIMING: 2938800 CPU: 9179.15, 0.00311959/step Wall: 9179.15, 0.00311959/step, 1.78614 hours remaining, 235.726562 MB of memory in use. ENERGY: 2938800 3969.2477 20403.9214 14482.6122 247.0564 -203261.4053 2801.3547 0.0000 0.0000 52494.6719 -108862.5411 301.6876 -161357.2130 -108497.7302 299.9317 212.7302 237.0352 762942.7458 2.2151 2.1845 PRESSURE: 2939000 -277.98 4.99081 198.947 4.99115 -135.659 283.59 198.946 283.59 -31.0709 GPRESSURE: 2939000 -315.416 56.3981 278.698 29.7387 -9.07994 376.855 73.12 356.854 -29.1301 PRESSAVG: 2939000 -21.329 8.69684 -16.9104 8.69681 2.2652 0.232244 -16.9104 0.23222 -0.243257 GPRESSAVG: 2939000 -21.6561 9.78782 -15.2361 7.73341 3.00726 1.25564 -17.2511 -1.16199 -0.625914 TIMING: 2939000 CPU: 9179.78, 0.00312558/step Wall: 9179.78, 0.00312558/step, 1.7894 hours remaining, 235.726562 MB of memory in use. ENERGY: 2939000 3961.9681 20491.1583 14455.2854 266.5120 -202564.5228 2432.0500 0.0000 0.0000 52071.2979 -108886.2512 299.2545 -160957.5490 -108535.3026 300.3398 -148.2368 -117.8753 764314.2457 -6.4357 -6.4249 PRESSURE: 2939200 -141.262 -57.568 235.787 -57.5681 8.50658 120.307 235.787 120.308 -148.226 GPRESSURE: 2939200 -106.744 1.75031 253.467 -65.2107 -42.2493 154.318 204.131 151.335 -52.9305 PRESSAVG: 2939200 -66.1755 19.0992 28.4267 19.0991 35.7456 20.2695 28.4267 20.2695 -12.2803 GPRESSAVG: 2939200 -66.1619 17.8236 29.2092 18.6892 35.3261 20.6674 29.356 20.7823 -12.135 TIMING: 2939200 CPU: 9180.4, 0.00313127/step Wall: 9180.4, 0.00313127/step, 1.79248 hours remaining, 235.726562 MB of memory in use. ENERGY: 2939200 3904.1205 20453.0758 14416.6623 235.9552 -202449.8554 2218.0313 0.0000 0.0000 52431.5969 -108790.4133 301.3251 -161222.0102 -108422.0164 300.4310 -93.6605 -67.3080 763447.4535 -14.2367 -14.3236 PRESSURE: 2939400 -169.174 18.6213 -252.993 18.6216 -127.19 86.1989 -252.994 86.1987 70.7031 GPRESSURE: 2939400 -57.8245 -26.7251 -303.446 -72.7961 -128.725 167.305 -105.735 105.919 44.3059 PRESSAVG: 2939400 14.877 10.5642 -11.385 10.5642 18.2087 28.039 -11.385 28.039 -6.34601 GPRESSAVG: 2939400 15.6231 11.0023 -12.8497 10.9903 18.5553 29.0661 -10.4545 26.7735 -7.12934 TIMING: 2939400 CPU: 9181.03, 0.00311069/step Wall: 9181.03, 0.00311069/step, 1.78052 hours remaining, 235.726562 MB of memory in use. ENERGY: 2939400 4045.4943 20520.8145 14442.4423 261.1470 -202834.7272 2578.7818 0.0000 0.0000 52211.9313 -108774.1161 300.0627 -160986.0474 -108417.2756 300.5292 -75.2201 -47.4145 763845.5543 8.9132 9.0163 PRESSURE: 2939600 24.8001 3.13358 13.265 3.13473 -467.501 -90.0946 13.2643 -90.0943 -362 GPRESSURE: 2939600 34.2071 -57.8493 27.9618 31.0058 -413.947 -78.4395 108.118 -62.2389 -335.414 PRESSAVG: 2939600 22.2369 -40.5317 -0.205422 -40.5317 -7.22984 -21.9258 -0.205474 -21.9258 -22.4793 GPRESSAVG: 2939600 23.5085 -41.9512 0.977489 -41.2876 -7.86668 -23.3877 -1.8028 -18.9007 -22.3216 TIMING: 2939600 CPU: 9181.65, 0.00312754/step Wall: 9181.65, 0.00312754/step, 1.79 hours remaining, 235.726562 MB of memory in use. ENERGY: 2939600 4106.6980 20520.8510 14358.7512 258.3716 -202727.7727 2430.7695 0.0000 0.0000 52249.3223 -108803.0091 300.2776 -161052.3314 -108438.4473 300.0773 -268.2337 -238.3847 764353.9596 -2.4907 -2.2266 PRESSURE: 2939800 109.484 125.283 193.126 125.283 80.9424 -126.184 193.125 -126.183 -61.8485 GPRESSURE: 2939800 112.237 171.02 211.296 149.345 67.3436 -34.4863 226.014 -148.96 36.4482 PRESSAVG: 2939800 -21.671 -33.6604 -37.0571 -33.6603 63.831 -31.618 -37.0571 -31.6181 -4.28472 GPRESSAVG: 2939800 -23.5223 -34.4073 -37.1474 -30.8711 64.0728 -31.7968 -38.3049 -33.839 -2.8286 TIMING: 2939800 CPU: 9182.28, 0.00313014/step Wall: 9182.28, 0.00313014/step, 1.79131 hours remaining, 235.726562 MB of memory in use. ENERGY: 2939800 4117.6066 20682.2540 14382.3003 260.1279 -202949.2208 2827.7503 0.0000 0.0000 52092.2521 -108586.9295 299.3749 -160679.1816 -108238.8294 300.6499 42.8594 72.0098 764138.3585 12.6251 12.5739 PRESSURE: 2940000 310.737 82.6836 -28.1923 82.6835 -188.476 124.413 -28.1916 124.413 350.501 GPRESSURE: 2940000 220.756 93.7393 37.4632 24.1839 -13.6467 151.954 -100.491 68.1052 345.769 PRESSAVG: 2940000 -10.0894 7.43885 10.377 7.43893 14.3145 -9.38048 10.377 -9.38049 36.2903 GPRESSAVG: 2940000 -8.80173 12.0228 9.78003 5.82985 15.0762 -9.58513 11.1849 -7.92981 33.9889 TIMING: 2940000 CPU: 9182.9, 0.00312522/step Wall: 9182.9, 0.00312522/step, 1.78832 hours remaining, 235.726562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2940000 3915.0379 20479.1461 14349.2724 238.8436 -202794.8668 2602.5248 0.0000 0.0000 52590.1151 -108619.9268 302.2361 -161210.0419 -108250.3300 300.4251 157.5871 184.2927 763835.9505 13.5051 13.4211 PRESSURE: 2940200 297.769 247.446 -39.1764 247.446 -105.593 -20.2592 -39.1766 -20.2584 246.447 GPRESSURE: 2940200 344.259 145.35 39.6004 207.704 -129.872 -104.326 18.0877 -66.3317 322.04 PRESSAVG: 2940200 9.53713 77.7498 18.9305 77.7499 -24.3576 -8.8145 18.9305 -8.8145 -5.4376 GPRESSAVG: 2940200 9.00545 75.7944 19.3337 78.9582 -26.4685 -8.51811 20.505 -9.35036 -3.02698 TIMING: 2940200 CPU: 9183.52, 0.00311296/step Wall: 9183.52, 0.00311296/step, 1.78113 hours remaining, 235.726562 MB of memory in use. ENERGY: 2940200 4038.5578 20302.9411 14398.5349 254.7260 -202751.1809 2738.8583 0.0000 0.0000 52267.3918 -108750.1709 300.3814 -161017.5627 -108373.8275 300.2053 146.2074 178.8092 763144.7042 -6.7527 -6.8300 LDB: ============= START OF LOAD BALANCING ============== 9196 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9196 LDB: =============== DONE WITH MIGRATION ================ 9196 LDB: ============= START OF LOAD BALANCING ============== 9196.32 LDB: Largest compute 7007 load 0.029600 is 15.2% of average load 0.195106 LDB: Average compute 0.004387 is 2.2% of average load 0.195106 LDB: TIME 9196.32 LOAD: AVG 0.195106 MAX 0.216944 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.281 MB LDB: TIME 9196.32 LOAD: AVG 0.195106 MAX 0.216944 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.352 MB LDB: TIME 9196.32 LOAD: AVG 0.195106 MAX 0.216944 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.352 MB LDB: ============== END OF LOAD BALANCING =============== 9196.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9196.33 PRESSURE: 2940400 -334.954 69.883 -102.973 69.8836 -169.166 3.32618 -102.973 3.32671 327.285 GPRESSURE: 2940400 -321.144 -4.09121 -27.4386 23.0021 -89.0932 -18.1172 -220.698 -109.574 338.445 PRESSAVG: 2940400 -49.4913 18.1041 33.2724 18.1041 51.4485 -19.2412 33.2725 -19.2413 7.36751 GPRESSAVG: 2940400 -49.1363 16.6675 34.5981 19.4005 52.3726 -18.4394 28.7557 -20.1784 6.21256 TIMING: 2940400 CPU: 9184.16, 0.00320125/step Wall: 9184.16, 0.00320125/step, 1.83147 hours remaining, 234.308594 MB of memory in use. ENERGY: 2940400 4119.4213 20547.6405 14432.7842 262.2585 -202999.2518 2613.6352 0.0000 0.0000 52193.9319 -108829.5802 299.9592 -161023.5122 -108464.0453 300.2711 -58.9451 -23.9308 762381.0365 3.1082 3.1496 PRESSURE: 2940600 -123.575 36.6555 49.0147 36.6558 133.615 39.4309 49.0147 39.4314 21.5758 GPRESSURE: 2940600 -50.8019 -17.2199 134.506 13.7373 92.4819 -26.8721 82.9861 60.4202 80.8904 PRESSAVG: 2940600 -40.9104 19.6123 8.38235 19.6123 32.9366 50.289 8.3823 50.2889 16.6597 GPRESSAVG: 2940600 -41.9353 21.7534 7.09027 16.9319 34.277 48.9592 11.7725 51.9532 16.7829 TIMING: 2940600 CPU: 9184.79, 0.00312958/step Wall: 9184.79, 0.00312958/step, 1.7903 hours remaining, 234.308594 MB of memory in use. ENERGY: 2940600 3972.9018 20629.7577 14342.9423 243.1432 -202745.3261 2528.3971 0.0000 0.0000 52145.8711 -108882.3129 299.6830 -161028.1840 -108514.9265 300.4003 10.5385 40.8568 762379.5141 2.8953 3.0415 PRESSURE: 2940800 136.966 33.8003 -116.033 33.8005 1.44527 -54.7296 -116.033 -54.729 264.439 GPRESSURE: 2940800 209.3 92.2257 -66.5063 -40.463 48.7476 -34.5162 -166.165 -4.71356 228.448 PRESSAVG: 2940800 -46.3328 -48.3484 -26.1706 -48.3484 22.8851 5.0528 -26.1706 5.05278 -12.7267 GPRESSAVG: 2940800 -45.2789 -47.7422 -25.6487 -47.5751 22.0044 6.34105 -27.4207 4.73221 -13.0354 TIMING: 2940800 CPU: 9185.41, 0.00311935/step Wall: 9185.41, 0.00311935/step, 1.78427 hours remaining, 234.308594 MB of memory in use. ENERGY: 2940800 4055.8695 20450.0635 14437.4666 250.9102 -203472.0047 2928.2048 0.0000 0.0000 52190.7955 -109158.6946 299.9412 -161349.4900 -108794.4491 299.6814 134.2835 162.1650 761882.5778 -12.0581 -12.1033 PRESSURE: 2941000 -252.53 -198.226 89.9312 -198.226 35.9792 175.703 89.9306 175.705 -198.358 GPRESSURE: 2941000 -221.591 -144.346 95.9556 -158.948 79.587 157.734 175.17 136.96 -170.863 PRESSAVG: 2941000 -20.8877 -55.4495 -2.31284 -55.4494 -19.9618 22.9031 -2.31285 22.9031 -12.2719 GPRESSAVG: 2941000 -21.213 -55.6783 -3.37275 -55.0097 -21.0305 21.1931 -0.753323 21.9384 -10.641 TIMING: 2941000 CPU: 9186.04, 0.00313146/step Wall: 9186.04, 0.00313146/step, 1.79102 hours remaining, 234.308594 MB of memory in use. ENERGY: 2941000 3980.3930 20471.2177 14518.0565 246.5240 -203091.8535 2755.0514 0.0000 0.0000 52181.8694 -108938.7414 299.8899 -161120.6108 -108578.5590 299.9662 -138.3030 -104.2888 762030.9012 -17.7071 -17.6282 PRESSURE: 2941200 -239.659 119.544 -87.0215 119.543 210.368 -36.0184 -87.0216 -36.0192 -96.6036 GPRESSURE: 2941200 -209.18 98.8146 -67.2421 28.889 259.491 5.94202 -36.1665 -63.2989 -76.7823 PRESSAVG: 2941200 -49.3567 -4.95164 42.402 -4.95174 63.1573 -2.34348 42.402 -2.34339 -11.7301 GPRESSAVG: 2941200 -48.8704 -5.43331 43.196 -6.44986 63.5356 -1.06024 41.6826 -2.51564 -12.6752 TIMING: 2941200 CPU: 9186.67, 0.00313043/step Wall: 9186.67, 0.00313043/step, 1.79026 hours remaining, 234.308594 MB of memory in use. ENERGY: 2941200 3941.0517 20645.9874 14386.5519 266.3322 -202794.4806 2549.5296 0.0000 0.0000 52138.7645 -108866.2633 299.6422 -161005.0278 -108503.2116 300.1461 -41.9648 -8.8240 762997.0027 0.6902 0.6633 PRESSURE: 2941400 195.939 -53.2424 -197.466 -53.244 46.6579 -156.491 -197.467 -156.49 5.33096 GPRESSURE: 2941400 308.991 -48.8249 -218.14 -46.1995 -7.69333 -143.756 -205.927 -44.2014 17.5086 PRESSAVG: 2941400 -58.9993 30.4478 20.3101 30.4478 -0.739515 28.3582 20.3101 28.3582 17.6338 GPRESSAVG: 2941400 -57.7074 31.5585 20.2022 31.077 -1.18246 28.6628 20.7877 29.1806 17.261 TIMING: 2941400 CPU: 9187.29, 0.00313801/step Wall: 9187.29, 0.00313801/step, 1.79442 hours remaining, 234.308594 MB of memory in use. ENERGY: 2941400 3949.5146 20424.1209 14441.6996 230.5643 -203211.1335 2727.4847 0.0000 0.0000 52325.7762 -109111.9732 300.7170 -161437.7494 -108739.5391 299.8499 82.6426 106.2687 761969.8174 -14.0350 -13.8763 PRESSURE: 2941600 -5.21874 -34.597 89.2871 -34.5969 -62.0448 -16.3239 89.286 -16.3225 -48.6086 GPRESSURE: 2941600 47.5018 19.4289 67.8882 -3.05278 -36.6535 3.22292 218.513 58.4356 -68.1278 PRESSAVG: 2941600 39.3524 20.16 1.55109 20.16 -27.0128 45.612 1.55111 45.612 -19.0642 GPRESSAVG: 2941600 38.3102 18.0058 0.394483 21.5475 -26.6404 44.748 2.04677 45.6545 -18.524 TIMING: 2941600 CPU: 9187.92, 0.00312631/step Wall: 9187.92, 0.00312631/step, 1.78756 hours remaining, 234.308594 MB of memory in use. ENERGY: 2941600 4004.1760 20693.2370 14514.8711 237.4254 -203000.0845 2634.6955 0.0000 0.0000 51744.2650 -109171.4145 297.3750 -160915.6795 -108813.3788 299.3742 -38.6240 -19.0931 761874.0665 -2.2415 -2.2848 PRESSURE: 2941800 -198.862 -130.182 143.56 -130.181 -184.845 212.175 143.559 212.175 -195.518 GPRESSURE: 2941800 -175.341 -96.0843 101.843 -151.558 -208.477 154.653 185.137 307.373 -127.681 PRESSAVG: 2941800 13.2574 -6.55337 -16.1917 -6.55338 -26.6558 -36.9581 -16.1917 -36.9581 16.0495 GPRESSAVG: 2941800 13.2315 -4.3754 -15.5221 -6.95792 -25.7946 -36.8325 -16.7714 -36.7575 15.3543 TIMING: 2941800 CPU: 9188.55, 0.00314416/step Wall: 9188.55, 0.00314416/step, 1.79759 hours remaining, 234.308594 MB of memory in use. ENERGY: 2941800 3995.7044 20443.2985 14420.0263 251.3327 -202611.8896 2279.2196 0.0000 0.0000 52120.1956 -109102.1125 299.5355 -161222.3081 -108736.9244 299.7427 -193.0748 -170.4997 762776.8521 0.8837 0.9304 PRESSURE: 2942000 66.3492 48.6253 -117.726 48.6249 143.61 54.2265 -117.726 54.2262 78.2103 GPRESSURE: 2942000 69.2609 30.4794 -98.7158 -102.921 227.676 -82.3055 -268.854 -70.3575 98.2979 PRESSAVG: 2942000 -5.29434 21.2434 6.14564 21.2434 -52.7073 -40.2667 6.14558 -40.2666 3.05096 GPRESSAVG: 2942000 -5.38381 20.4075 6.51687 18.451 -52.0675 -41.1131 5.47492 -41.6609 3.09631 TIMING: 2942000 CPU: 9189.18, 0.00314621/step Wall: 9189.18, 0.00314621/step, 1.79858 hours remaining, 234.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2942000 4013.8645 20461.7172 14513.5697 247.9611 -203310.6064 2630.7269 0.0000 0.0000 52372.5755 -109070.1915 300.9859 -161442.7670 -108696.6687 299.6139 96.0566 131.7448 760160.8983 -18.3169 -18.1183 PRESSURE: 2942200 -51.8326 -114.876 -159.609 -114.876 -242.269 57.792 -159.609 57.791 393.444 GPRESSURE: 2942200 66.0405 -0.29998 -178.278 -14.6445 -240.779 55.3119 -58.2964 60.3038 357.459 PRESSAVG: 2942200 24.281 4.86827 7.31789 4.86824 20.9245 22.5739 7.31787 22.5739 6.50426 GPRESSAVG: 2942200 24.6333 4.75447 6.39465 8.22684 21.1553 22.4665 8.01482 22.1633 6.10029 TIMING: 2942200 CPU: 9189.8, 0.00313687/step Wall: 9189.8, 0.00313687/step, 1.79307 hours remaining, 234.308594 MB of memory in use. ENERGY: 2942200 3998.7412 20499.8075 14447.5875 267.7260 -202973.2754 2462.0796 0.0000 0.0000 52043.5610 -109253.7725 299.0951 -161297.3335 -108881.8633 299.4383 33.1143 60.9068 759148.9711 17.2366 17.2963 PRESSURE: 2942400 85.2475 126.467 -133.864 126.467 -218.993 -121.193 -133.863 -121.193 13.8478 GPRESSURE: 2942400 110.93 148.142 -128.631 122.898 -82.6384 -153.591 -162.429 -127.64 -52.3065 PRESSAVG: 2942400 44.4736 40.6777 43.6342 40.6777 -14.4637 10.6342 43.6342 10.6341 3.09892 GPRESSAVG: 2942400 44.2935 41.4178 45.2332 41.0324 -14.269 11.3843 42.1387 12.0104 3.40563 TIMING: 2942400 CPU: 9190.43, 0.00312764/step Wall: 9190.43, 0.00312764/step, 1.78762 hours remaining, 234.308594 MB of memory in use. ENERGY: 2942400 3933.7203 20431.4980 14384.7551 228.1913 -203154.7422 2810.2258 0.0000 0.0000 52093.6575 -109272.6941 299.3830 -161366.3517 -108906.8373 299.3203 -39.9658 -8.0050 763368.8481 11.0363 11.1434 PRESSURE: 2942600 23.7465 79.0897 -24.7495 79.09 -76.4094 -47.5897 -24.7496 -47.5898 -438.184 GPRESSURE: 2942600 35.7191 139.251 -62.76 23.8977 -32.0855 -58.5755 -53.9028 -43.6694 -407.232 PRESSAVG: 2942600 14.028 36.6587 -59.3288 36.6587 -6.09538 -36.1464 -59.3288 -36.1464 -0.367652 GPRESSAVG: 2942600 14.7887 35.974 -59.7815 34.3411 -6.68004 -37.2581 -60.1646 -35.5171 -0.564149 TIMING: 2942600 CPU: 9191.06, 0.00312464/step Wall: 9191.06, 0.00312464/step, 1.78573 hours remaining, 234.308594 MB of memory in use. ENERGY: 2942600 3997.6614 20602.5817 14425.7361 264.0462 -202900.5804 2294.2911 0.0000 0.0000 52213.5274 -109102.7365 300.0719 -161316.2639 -108731.8889 299.7064 -163.6157 -134.5329 763643.7162 2.5216 2.5148 PRESSURE: 2942800 -3.53805 28.2663 51.6009 28.266 71.4202 59.1253 51.6008 59.1252 -283.769 GPRESSURE: 2942800 22.1617 87.7447 169.443 90.1666 40.0228 -49.276 83.9033 -0.567718 -188.834 PRESSAVG: 2942800 -44.3743 37.5661 -10.5162 37.5661 18.6779 -28.4485 -10.5162 -28.4486 -19.7113 GPRESSAVG: 2942800 -44.4728 38.0484 -10.427 38.7307 18.8615 -28.87 -8.55147 -29.3572 -19.7437 TIMING: 2942800 CPU: 9191.68, 0.00314474/step Wall: 9191.68, 0.00314474/step, 1.79705 hours remaining, 234.308594 MB of memory in use. ENERGY: 2942800 3963.8590 20601.2902 14422.6751 247.0752 -203168.4545 2695.2796 0.0000 0.0000 52202.7750 -109035.5006 300.0101 -161238.2756 -108670.1538 299.5839 -71.9623 -42.2165 760832.2694 -15.1359 -15.1183 PRESSURE: 2943000 124.068 145.008 116.43 145.008 3.98353 25.9078 116.43 25.9081 105.729 GPRESSURE: 2943000 127.267 97.6752 135.703 28.0235 94.0662 10.3633 219.846 5.05455 85.4445 PRESSAVG: 2943000 2.71605 45.4073 53.7547 45.4074 69.9005 -16.4052 53.7547 -16.4052 10.2344 GPRESSAVG: 2943000 0.771427 43.5026 54.8761 45.1655 70.9122 -14.9017 53.2854 -16.0644 11.0975 TIMING: 2943000 CPU: 9192.31, 0.00313924/step Wall: 9192.31, 0.00313924/step, 1.79373 hours remaining, 234.308594 MB of memory in use. ENERGY: 2943000 3998.8179 20578.0498 14433.8020 254.2813 -203211.4250 2740.2832 0.0000 0.0000 52155.8500 -109050.3408 299.7404 -161206.1908 -108691.3442 299.3571 77.9268 102.2592 760700.0928 27.6170 27.5937 PRESSURE: 2943200 -74.4063 -104.295 -167.171 -104.294 80.3762 -213.456 -167.17 -213.454 80.9014 GPRESSURE: 2943200 -31.0202 -71.4031 -159.741 -53.1361 171.272 -236.571 -165.692 -61.0783 34.861 PRESSAVG: 2943200 -29.4367 12.0552 38.7359 12.0552 30.7108 8.21502 38.7359 8.21499 2.41808 GPRESSAVG: 2943200 -28.6307 10.1566 36.3704 12.8687 30.3132 8.75789 38.3655 7.69118 1.78868 TIMING: 2943200 CPU: 9192.94, 0.00313596/step Wall: 9192.94, 0.00313596/step, 1.79168 hours remaining, 234.308594 MB of memory in use. ENERGY: 2943200 4019.3680 20611.4733 14340.8352 253.4252 -203057.0247 2534.7714 0.0000 0.0000 52053.8637 -109243.2879 299.1543 -161297.1516 -108871.0214 299.2284 28.9571 58.3708 763322.7346 1.2307 1.1570 PRESSURE: 2943400 13.879 27.5931 -211.291 27.5933 22.372 -66.8997 -211.291 -66.9004 -138.058 GPRESSURE: 2943400 109.612 39.121 -269.763 10.2543 2.54193 -74.5794 -45.858 -36.1427 -122.11 PRESSAVG: 2943400 59.4915 -17.8919 36.034 -17.8919 -36.8478 -25.3344 36.034 -25.3344 -5.45913 GPRESSAVG: 2943400 59.1934 -14.5193 36.5085 -17.9956 -36.9515 -26.612 36.9359 -24.5515 -4.63316 TIMING: 2943400 CPU: 9193.57, 0.00314417/step Wall: 9193.57, 0.00314417/step, 1.79619 hours remaining, 234.308594 MB of memory in use. ENERGY: 2943400 4116.2962 20524.4935 14462.9036 285.3819 -203151.6795 2557.3621 0.0000 0.0000 51832.2503 -109372.9918 297.8807 -161205.2422 -109014.3611 298.9858 -33.9356 -3.3188 762358.8313 5.7282 5.8696 PRESSURE: 2943600 30.6719 -136.854 340.38 -136.853 295.322 172.842 340.379 172.842 -374.605 GPRESSURE: 2943600 -50.8505 -129.84 281.562 -212.456 309.091 69.1734 289.977 -23.8147 -219.974 PRESSAVG: 2943600 43.413 -31.6077 -21.4871 -31.6077 -43 8.20862 -21.4871 8.20863 -8.76218 GPRESSAVG: 2943600 43.105 -31.4145 -20.9596 -32.3317 -43.8035 9.41497 -22.1031 7.63212 -7.96017 TIMING: 2943600 CPU: 9194.2, 0.00314261/step Wall: 9194.2, 0.00314261/step, 1.79513 hours remaining, 234.308594 MB of memory in use. ENERGY: 2943600 3959.1841 20651.6464 14382.4983 241.1996 -203506.7598 2618.0455 0.0000 0.0000 52183.4923 -109470.6937 299.8992 -161654.1860 -109106.9407 298.9931 -16.2038 12.7552 760328.8636 -2.7831 -2.8862 PRESSURE: 2943800 400.445 161.934 108.955 161.935 138.752 -197.604 108.955 -197.605 -2.59869 GPRESSURE: 2943800 421.637 216.916 138.256 101.406 264.448 -227.098 129.159 -149.872 -46.145 PRESSAVG: 2943800 -0.879186 -3.99832 -19.3065 -3.99822 -17.1297 -0.70963 -19.3065 -0.709653 11.5757 GPRESSAVG: 2943800 -0.136119 -4.7543 -20.9874 -4.63615 -17.6821 -0.528011 -17.2872 -2.43406 10.9284 TIMING: 2943800 CPU: 9194.82, 0.00310817/step Wall: 9194.82, 0.00310817/step, 1.77528 hours remaining, 234.308594 MB of memory in use. ENERGY: 2943800 4031.7187 20570.8255 14394.7312 237.7479 -203176.9596 2725.9168 0.0000 0.0000 52106.1057 -109109.9138 299.4545 -161216.0195 -108747.2957 298.9280 178.8660 213.3133 761129.5035 -2.1444 -2.2966 PRESSURE: 2944000 -225.296 104.481 83.9686 104.481 231.849 -154.959 83.9688 -154.959 -91.8313 GPRESSURE: 2944000 -111.381 61.2206 171.977 67.3552 198.935 -192.447 87.5014 10.0101 -82.0067 PRESSAVG: 2944000 -11.4039 35.7318 7.06805 35.7319 -8.75473 -42.6678 7.06808 -42.6677 -11.7765 GPRESSAVG: 2944000 -11.588 37.2499 8.37389 36.3714 -7.86752 -41.9942 4.34351 -40.9405 -12.5343 TIMING: 2944000 CPU: 9195.44, 0.00313273/step Wall: 9195.44, 0.00313273/step, 1.78914 hours remaining, 234.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2944000 3994.2758 20649.4226 14423.1356 248.4333 -203265.6445 2641.0872 0.0000 0.0000 51938.4246 -109370.8655 298.4908 -161309.2901 -109012.9585 298.8078 -28.4259 1.8493 761237.7543 -10.6451 -10.6633 PRESSURE: 2944200 -225.569 -123.639 -131.858 -123.64 3.31942 -191.52 -131.858 -191.52 180.773 GPRESSURE: 2944200 -181.512 -94.3184 -159.475 -94.0439 49.7281 -123.562 -88.4513 -251.53 150.326 PRESSAVG: 2944200 -21.3702 3.03423 17.6596 3.03426 5.34311 -19.2945 17.6596 -19.2943 31.3626 GPRESSAVG: 2944200 -22.0259 0.265769 18.2647 3.99846 6.06309 -20.2927 18.8543 -21.2287 31.3422 TIMING: 2944200 CPU: 9196.07, 0.00313653/step Wall: 9196.07, 0.00313653/step, 1.79113 hours remaining, 234.308594 MB of memory in use. ENERGY: 2944200 3997.9815 20442.3681 14439.5120 269.1513 -203143.5751 2534.2899 0.0000 0.0000 52029.3913 -109430.8811 299.0136 -161460.2723 -109064.4669 299.1242 -13.8257 6.1808 763107.5184 5.1118 5.1264 LDB: ============= START OF LOAD BALANCING ============== 9208.55 LDB: ============== END OF LOAD BALANCING =============== 9208.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9208.55 LDB: ============= START OF LOAD BALANCING ============== 9208.87 LDB: Largest compute 7007 load 0.028677 is 14.7% of average load 0.195021 LDB: Average compute 0.004373 is 2.2% of average load 0.195021 LDB: TIME 9208.87 LOAD: AVG 0.195021 MAX 0.219481 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.176 MB LDB: TIME 9208.87 LOAD: AVG 0.195021 MAX 0.219481 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.176 MB LDB: TIME 9208.87 LOAD: AVG 0.195021 MAX 0.217671 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.176 MB LDB: ============== END OF LOAD BALANCING =============== 9208.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9208.88 PRESSURE: 2944400 -241.732 -82.5209 114.019 -82.5205 98.7614 -70.423 114.019 -70.423 -307.415 GPRESSURE: 2944400 -75.0213 -48.2913 152.672 -71.7671 -2.1741 -5.14991 147.953 -99.5192 -291.319 PRESSAVG: 2944400 -14.4255 -17.6365 41.8402 -17.6365 -22.8156 -15.3218 41.8402 -15.3218 11.4323 GPRESSAVG: 2944400 -14.4718 -15.6722 42.8222 -19.5975 -22.8244 -14.6764 42.1352 -14.2346 11.6426 TIMING: 2944400 CPU: 9196.71, 0.00320344/step Wall: 9196.71, 0.00320344/step, 1.82917 hours remaining, 233.539062 MB of memory in use. ENERGY: 2944400 4046.1896 20556.7179 14406.6846 234.9003 -203148.4681 2673.1542 0.0000 0.0000 52005.3377 -109225.4839 298.8754 -161230.8216 -108859.9621 298.6803 -150.1286 -122.8380 764074.1947 -8.6029 -8.5512 PRESSURE: 2944600 -70.7546 -17.0703 217.227 -17.0703 -272.398 314.624 217.227 314.623 9.95716 GPRESSURE: 2944600 -41.1961 56.3047 115.523 62.4917 -260.424 273.253 305.639 297.34 45.6865 PRESSAVG: 2944600 1.87296 -8.92901 3.67405 -8.92905 -16.5583 33.7421 3.67402 33.7421 -8.83845 GPRESSAVG: 2944600 3.21718 -10.0653 2.21517 -8.03801 -17.1866 31.5555 2.44598 36.4512 -8.80752 TIMING: 2944600 CPU: 9197.34, 0.00313715/step Wall: 9197.34, 0.00313715/step, 1.79114 hours remaining, 233.539062 MB of memory in use. ENERGY: 2944600 3963.7038 20534.5406 14437.3862 242.8836 -203162.4149 2676.5463 0.0000 0.0000 51841.5747 -109465.7798 297.9342 -161307.3544 -109093.9422 299.1605 -111.0652 -85.3112 763226.7252 -7.8413 -7.5923 PRESSURE: 2944800 -435.276 -99.4082 190.677 -99.4094 -261.737 61.9693 190.677 61.971 12.3167 GPRESSURE: 2944800 -381.576 -35.836 80.3761 -131.97 -260.07 28.6125 191.644 32.2388 49.6369 PRESSAVG: 2944800 7.87745 16.6803 27.3586 16.6803 -24.4211 34.7366 27.3587 34.7366 1.31298 GPRESSAVG: 2944800 7.02237 16.5503 25.4643 16.8474 -22.8819 35.6943 29.1974 34.1279 1.11867 TIMING: 2944800 CPU: 9197.97, 0.00313549/step Wall: 9197.97, 0.00313549/step, 1.79002 hours remaining, 233.539062 MB of memory in use. ENERGY: 2944800 3966.4348 20436.2916 14430.9669 240.8429 -203120.4890 2599.7751 0.0000 0.0000 51994.0273 -109452.1504 298.8104 -161446.1777 -109087.0223 299.0150 -228.2319 -197.3364 762952.4168 -5.0769 -4.9136 PRESSURE: 2945000 327.303 -149.518 -236.065 -149.517 -54.2701 -14.7783 -236.066 -14.778 -175.444 GPRESSURE: 2945000 333.813 -117.474 -210.614 -133.645 -62.299 61.0614 -301.626 -1.60286 -82.31 PRESSAVG: 2945000 34.5689 -28.7716 -24.9199 -28.7715 5.09362 19.9688 -24.9199 19.9688 -8.01372 GPRESSAVG: 2945000 35.969 -28.6477 -23.1205 -27.4166 3.90973 19.582 -26.4484 18.0582 -7.98565 TIMING: 2945000 CPU: 9198.6, 0.00314939/step Wall: 9198.6, 0.00314939/step, 1.79778 hours remaining, 233.539062 MB of memory in use. ENERGY: 2945000 4078.9832 20593.9905 14420.1509 230.9147 -203345.6595 2937.5175 0.0000 0.0000 51735.5870 -109348.5157 297.3251 -161084.1027 -109001.8736 298.8952 32.5295 63.0678 762436.0312 10.5496 10.6310 PRESSURE: 2945200 152.387 -39.6541 102.768 -39.6539 -107.989 -251.138 102.768 -251.138 -597.275 GPRESSURE: 2945200 157.608 -114.057 115.408 -164.872 -69.5476 -241.613 202.252 -169.476 -563.557 PRESSAVG: 2945200 69.0409 -9.9161 29.2703 -9.91612 -32.0046 -4.32698 29.2703 -4.32698 5.83625 GPRESSAVG: 2945200 68.2341 -9.08612 27.0225 -12.8914 -31.4316 -4.26659 31.4424 -3.37673 5.75332 TIMING: 2945200 CPU: 9199.23, 0.00313959/step Wall: 9199.23, 0.00313959/step, 1.79201 hours remaining, 233.539062 MB of memory in use. ENERGY: 2945200 3991.4417 20554.1273 14461.3323 249.4997 -202825.6953 2419.3582 0.0000 0.0000 51906.3970 -109243.5392 298.3068 -161149.9362 -108884.1830 299.3563 -184.2923 -158.4989 762001.3082 14.2909 14.1853 PRESSURE: 2945400 -27.6033 127.875 -56.706 127.874 119.813 45.1599 -56.7062 45.1595 96.1814 GPRESSURE: 2945400 -87.3329 82.5749 46.3863 93.244 255.053 84.6638 26.7707 -58.2184 97.8793 PRESSAVG: 2945400 32.3244 -12.8823 -30.5543 -12.8822 -0.62078 30.4106 -30.5544 30.4106 3.90644 GPRESSAVG: 2945400 32.4362 -14.7995 -27.336 -12.1795 -1.23221 32.517 -32.6896 30.7443 4.67603 TIMING: 2945400 CPU: 9199.85, 0.00314277/step Wall: 9199.85, 0.00314277/step, 1.79365 hours remaining, 233.539062 MB of memory in use. ENERGY: 2945400 4031.0680 20665.4408 14314.4432 238.1286 -203254.3874 2600.3116 0.0000 0.0000 52183.1519 -109221.8433 299.8973 -161404.9952 -108869.2279 299.9093 62.7971 88.5330 763307.0575 11.8700 11.9600 PRESSURE: 2945600 85.6202 43.0042 109.868 43.0048 343.099 -114.522 109.868 -114.521 -201.82 GPRESSURE: 2945600 141.361 -59.1227 81.2826 56.2315 397.197 -31.6344 87.413 -265.233 -240.022 PRESSAVG: 2945600 -5.312 4.2349 -36.3899 4.23489 -32.5603 -11.2837 -36.3899 -11.2837 -3.13582 GPRESSAVG: 2945600 -5.31931 5.95103 -38.7061 4.95152 -31.8447 -12.654 -35.7301 -14.6609 -3.37034 TIMING: 2945600 CPU: 9200.48, 0.00314843/step Wall: 9200.48, 0.00314843/step, 1.79671 hours remaining, 233.539062 MB of memory in use. ENERGY: 2945600 3946.0476 20763.6120 14391.8801 226.1690 -203397.1854 2856.9451 0.0000 0.0000 52118.4866 -109094.0449 299.5257 -161212.5316 -108730.5940 299.1916 75.6331 99.5120 762203.9871 -13.6694 -13.5114 PRESSURE: 2945800 -433.462 -67.0864 83.2023 -67.0868 -493.201 54.8138 83.2025 54.8135 -280.384 GPRESSURE: 2945800 -399.379 -136.066 231.887 -19.093 -475.951 -6.65249 56.8265 56.2828 -236.657 PRESSAVG: 2945800 11.7604 -20.0155 69.8635 -20.0156 4.14802 -23.5116 69.8635 -23.5116 0.713087 GPRESSAVG: 2945800 13.0652 -18.9677 70.7876 -21.5521 3.33312 -23.6591 70.1976 -22.62 0.239177 TIMING: 2945800 CPU: 9201.11, 0.0031155/step Wall: 9201.11, 0.0031155/step, 1.77774 hours remaining, 233.539062 MB of memory in use. ENERGY: 2945800 4000.7906 20486.5453 14414.1895 268.9538 -203148.5055 2376.7587 0.0000 0.0000 52204.9641 -109396.3035 300.0226 -161601.2676 -109028.6960 299.4542 -402.3491 -370.6627 763066.7884 5.5405 5.5458 PRESSURE: 2946000 62.3198 -154.103 6.92738 -154.102 -384.131 76.1918 6.9278 76.1924 -21.6812 GPRESSURE: 2946000 74.9266 -160.469 -56.857 -43.6311 -274.224 96.5628 -20.6845 112.899 -38.7897 PRESSAVG: 2946000 27.2643 -2.50941 29.1437 -2.50944 -43.8615 58.4268 29.1437 58.4269 21.973 GPRESSAVG: 2946000 26.0912 -2.36786 30.4024 -0.744763 -44.2307 58.9211 27.9678 58.559 23.6249 TIMING: 2946000 CPU: 9201.73, 0.00311662/step Wall: 9201.73, 0.00311662/step, 1.7782 hours remaining, 233.539062 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: 2946000 3993.3563 20484.3065 14410.9573 239.8555 -203190.1394 2707.9330 0.0000 0.0000 52104.7381 -109248.9928 299.4466 -161353.7308 -108893.3986 299.7851 -114.4976 -79.3623 760056.2123 1.7920 1.8284 PRESSURE: 2946200 -89.1806 -51.0702 -66.1029 -51.0704 216.729 -40.4698 -66.1034 -40.4704 -271.052 GPRESSURE: 2946200 -10.3932 95.5016 -72.8239 -115.464 210.854 21.8475 27.7984 -1.34463 -256.948 PRESSAVG: 2946200 81.4107 -39.0385 108.084 -39.0386 -82.2925 27.8997 108.084 27.8998 15.4681 GPRESSAVG: 2946200 81.0119 -39.6244 107.329 -38.5382 -81.048 27.1551 111.408 29.8131 14.7731 TIMING: 2946200 CPU: 9202.35, 0.00311846/step Wall: 9202.35, 0.00311846/step, 1.77908 hours remaining, 233.539062 MB of memory in use. ENERGY: 2946200 4047.3613 20523.0952 14448.4780 265.6157 -203557.7370 2839.7213 0.0000 0.0000 52115.8470 -109317.6185 299.5105 -161433.4655 -108953.6304 299.4583 -47.8346 -18.8290 761608.1655 4.8621 4.9123 PRESSURE: 2946400 235.449 -89.5772 10.6891 -89.5762 150.458 81.582 10.6894 81.5813 342.027 GPRESSURE: 2946400 280.967 -114.617 -18.1754 -55.1209 254.012 101.659 63.943 78.979 257.232 PRESSAVG: 2946400 42.1416 30.3065 12.043 30.3065 0.869434 38.0008 12.043 38.0008 3.03723 GPRESSAVG: 2946400 43.9589 28.7708 10.9541 29.5499 0.0136832 37.9983 8.17557 37.2812 1.87927 TIMING: 2946400 CPU: 9202.98, 0.00312876/step Wall: 9202.98, 0.00312876/step, 1.78478 hours remaining, 233.539062 MB of memory in use. ENERGY: 2946400 3963.4016 20510.4762 14405.7856 237.9117 -203272.8722 2811.3544 0.0000 0.0000 51913.3285 -109430.6142 298.3466 -161343.9427 -109068.0011 299.2709 242.6446 264.0705 763874.2940 15.3494 15.2839 PRESSURE: 2946600 100.473 113.357 214.137 113.358 -35.5522 13.3468 214.137 13.3475 253.682 GPRESSURE: 2946600 131.767 61.3302 270.034 169.393 68.1997 35.5525 235.83 -77.2739 207.259 PRESSAVG: 2946600 25.4284 -10.2266 49.2852 -10.2266 -52.9225 4.74103 49.2852 4.74109 -5.47568 GPRESSAVG: 2946600 23.5738 -10.1051 50.2799 -7.89773 -51.2245 5.61586 52.3823 4.32852 -5.44251 TIMING: 2946600 CPU: 9203.6, 0.00312827/step Wall: 9203.6, 0.00312827/step, 1.78433 hours remaining, 233.539062 MB of memory in use. ENERGY: 2946600 3992.5426 20464.5242 14388.4342 247.5656 -203291.5825 2802.0340 0.0000 0.0000 51919.8153 -109476.6666 298.3839 -161396.4819 -109117.2375 298.9909 106.2008 135.7417 763400.6509 -10.9900 -11.0311 PRESSURE: 2946800 164.445 129.11 -185.636 129.11 133.613 268.958 -185.637 268.957 104.564 GPRESSURE: 2946800 237.688 121.691 -84.1763 132.487 126.839 354.46 -162.238 144.409 139.005 PRESSAVG: 2946800 8.42041 6.59023 -0.083053 6.59027 -56.6462 75.5171 -0.0830925 75.5171 1.47311 GPRESSAVG: 2946800 9.36026 9.73842 -0.586549 3.07906 -57.2526 76.1451 -1.05919 74.0009 1.20841 TIMING: 2946800 CPU: 9204.23, 0.00312528/step Wall: 9204.23, 0.00312528/step, 1.78245 hours remaining, 233.539062 MB of memory in use. ENERGY: 2946800 4018.7611 20379.0596 14462.4988 246.8974 -203748.6002 2889.4740 0.0000 0.0000 52066.2008 -109685.7084 299.2252 -161751.9093 -109326.2564 298.6204 134.2074 167.8438 761757.9583 -15.5842 -15.5613 PRESSURE: 2947000 -421.595 58.8017 119.236 58.8008 53.9232 -26.1122 119.236 -26.1129 -83.1585 GPRESSURE: 2947000 -381.308 37.786 121.642 74.9335 86.1272 -2.65352 145.931 -67.4403 -77.5266 PRESSAVG: 2947000 -0.10269 -10.8407 9.85854 -10.8407 -19.2116 45.167 9.85852 45.167 -12.4428 GPRESSAVG: 2947000 -0.12111 -12.1774 8.77607 -10.2253 -20.2205 45.6397 9.22443 46.4835 -11.2432 TIMING: 2947000 CPU: 9204.86, 0.00312736/step Wall: 9204.86, 0.00312737/step, 1.78347 hours remaining, 233.539062 MB of memory in use. ENERGY: 2947000 4033.5136 20502.8671 14499.2594 237.0345 -203403.2492 2618.8178 0.0000 0.0000 51730.9776 -109780.7792 297.2986 -161511.7568 -109422.2191 298.4455 -150.2767 -124.2359 762330.9182 -10.5857 -10.5283 PRESSURE: 2947200 170.825 -174.837 23.4575 -174.836 244.994 185.536 23.4573 185.537 -334.938 GPRESSURE: 2947200 262.653 -104.741 -17.3105 -11.3097 176.847 216.319 -40.1799 123.05 -266.87 PRESSAVG: 2947200 61.4184 -66.4938 31.4243 -66.4939 -20.5918 47.0489 31.4243 47.0489 6.24392 GPRESSAVG: 2947200 61.5978 -68.6205 31.7959 -65.3569 -20.2751 44.067 33.0394 45.8997 5.43341 TIMING: 2947200 CPU: 9205.48, 0.00312758/step Wall: 9205.48, 0.00312758/step, 1.78342 hours remaining, 233.539062 MB of memory in use. ENERGY: 2947200 4096.5168 20310.5678 14517.5523 266.6236 -203721.0158 2715.1449 0.0000 0.0000 52020.1775 -109794.4329 298.9607 -161814.6104 -109449.2514 298.4615 26.9605 57.5436 761272.3029 15.6902 15.5854 PRESSURE: 2947400 -0.990422 -226.597 109.006 -226.597 207.426 171.678 109.006 171.679 85.6865 GPRESSURE: 2947400 60.6719 -162.255 83.1867 -82.6103 259.883 153.893 -18.1873 99.0397 71.6067 PRESSAVG: 2947400 7.9297 -1.50737 -2.57822 -1.50733 -32.1577 22.4976 -2.57824 22.4976 1.49995 GPRESSAVG: 2947400 7.79586 -0.592235 -2.5201 -1.14919 -32.4744 24.0421 -0.931666 24.1756 2.52915 TIMING: 2947400 CPU: 9206.11, 0.00314137/step Wall: 9206.11, 0.00314137/step, 1.79111 hours remaining, 233.539062 MB of memory in use. ENERGY: 2947400 4009.4299 20414.9790 14451.2484 246.7055 -203790.9380 2763.5102 0.0000 0.0000 51996.4117 -109908.6532 298.8241 -161905.0650 -109549.9141 297.8837 97.3741 130.7205 760600.8593 -7.5760 -7.3831 PRESSURE: 2947600 271.03 -212.491 -18.12 -212.491 79.6444 -200.279 -18.1208 -200.279 81.6117 GPRESSURE: 2947600 337.824 -254.398 -90.9263 -183.014 129.11 -186.812 -4.28296 -205.301 44.436 PRESSAVG: 2947600 28.5574 12.315 -36.5288 12.315 -45.6776 21.4468 -36.5287 21.4467 -1.48561 GPRESSAVG: 2947600 30.1269 13.5243 -36.6048 11.6705 -46.0664 21.4328 -39.2692 19.6885 -2.66966 TIMING: 2947600 CPU: 9206.74, 0.00313114/step Wall: 9206.74, 0.00313114/step, 1.7851 hours remaining, 233.539062 MB of memory in use. ENERGY: 2947600 3990.6209 20611.9886 14377.5720 236.3016 -203324.1721 2526.5977 0.0000 0.0000 51713.9818 -109867.1095 297.2010 -161581.0913 -109509.2168 297.8040 144.0954 170.4566 762324.3533 -6.2019 -6.2030 PRESSURE: 2947800 191.228 53.7492 138.308 53.7489 70.9595 -170.961 138.308 -170.962 3.68468 GPRESSURE: 2947800 143.746 75.7161 236.777 2.88796 154.509 -183.615 223.284 -132.181 55.2986 PRESSAVG: 2947800 7.00738 13.6116 -4.91302 13.6117 47.5587 -50.5309 -4.91298 -50.5309 15.9592 GPRESSAVG: 2947800 7.23188 13.1553 -5.94728 12.6712 47.1639 -51.2359 -3.77963 -49.0834 16.11 TIMING: 2947800 CPU: 9207.36, 0.00314101/step Wall: 9207.36, 0.00314101/step, 1.79055 hours remaining, 233.539062 MB of memory in use. ENERGY: 2947800 3929.1209 20252.1123 14497.0843 228.3608 -203832.9349 2816.0213 0.0000 0.0000 52191.5356 -109918.6998 299.9455 -162110.2353 -109542.4851 298.1369 88.6239 117.8512 760454.1514 23.5084 23.5020 PRESSURE: 2948000 -32.4112 76.4995 155.8 76.4995 -122.995 72.4937 155.8 72.4932 -67.7781 GPRESSURE: 2948000 4.40306 23.8814 136.425 -47.0258 -72.3155 77.2469 35.726 76.2388 -62.315 PRESSAVG: 2948000 -37.9637 -1.22001 -29.3389 -1.22005 12.7026 -19.1975 -29.3389 -19.1975 -3.06108 GPRESSAVG: 2948000 -39.9134 -0.614388 -28.5197 0.246725 13.5188 -17.3699 -30.509 -18.9493 -2.26771 TIMING: 2948000 CPU: 9207.99, 0.00314004/step Wall: 9207.99, 0.00314004/step, 1.78982 hours remaining, 233.539062 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: 2948000 4014.0701 20403.4179 14430.1074 240.6702 -203369.3536 2572.4574 0.0000 0.0000 51754.7348 -109953.8957 297.4352 -161708.6305 -109593.9031 297.8789 -74.3947 -43.4091 761611.5452 -9.4407 -9.5541 PRESSURE: 2948200 -173.684 -27.3051 194.049 -27.3044 -299.272 -92.465 194.049 -92.4646 -233.673 GPRESSURE: 2948200 -166.001 -0.375384 185.727 -80.746 -324.924 -116.381 139.104 -85.1957 -131.405 PRESSAVG: 2948200 -0.182444 -19.8481 -5.28263 -19.8481 -18.7192 0.139355 -5.28259 0.139372 16.5905 GPRESSAVG: 2948200 0.122645 -18.3763 -5.46211 -22.023 -19.6833 -1.34175 -3.93488 -0.72709 17.4264 TIMING: 2948200 CPU: 9208.62, 0.00312927/step Wall: 9208.62, 0.00312927/step, 1.78351 hours remaining, 233.539062 MB of memory in use. ENERGY: 2948200 4003.1253 20405.7197 14413.0793 235.5628 -203658.7540 2712.1845 0.0000 0.0000 51844.7893 -110044.2931 297.9527 -161889.0823 -109675.1792 298.2546 -235.5431 -207.4435 762319.9566 -0.7704 -0.7114 LDB: ============= START OF LOAD BALANCING ============== 9221.1 LDB: ============== END OF LOAD BALANCING =============== 9221.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9221.1 LDB: ============= START OF LOAD BALANCING ============== 9221.41 LDB: Largest compute 7041 load 0.028114 is 14.4% of average load 0.195088 LDB: Average compute 0.004370 is 2.2% of average load 0.195088 LDB: TIME 9221.42 LOAD: AVG 0.195088 MAX 0.217595 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.051 MB LDB: TIME 9221.42 LOAD: AVG 0.195088 MAX 0.217595 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.051 MB LDB: TIME 9221.42 LOAD: AVG 0.195088 MAX 0.217595 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.051 MB LDB: ============== END OF LOAD BALANCING =============== 9221.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9221.42 PRESSURE: 2948400 143.436 66.2309 -133.537 66.2311 19.0583 -110.979 -133.536 -110.978 -60.5036 GPRESSURE: 2948400 207.364 -27.2974 -32.5184 37.737 81.8846 -79.4713 -115.663 -56.0873 -108.871 PRESSAVG: 2948400 -26.4704 -51.9623 -33.7885 -51.9625 -29.8822 -29.4479 -33.7884 -29.4479 16.0826 GPRESSAVG: 2948400 -27.0322 -51.7243 -34.0148 -49.9103 -27.9096 -29.1098 -33.2444 -30.0158 14.7347 TIMING: 2948400 CPU: 9209.26, 0.00320468/step Wall: 9209.26, 0.00320468/step, 1.82631 hours remaining, 234.050781 MB of memory in use. ENERGY: 2948400 3904.6472 20547.9675 14409.5746 250.3675 -203635.0683 2647.5329 0.0000 0.0000 52087.0405 -109787.9380 299.3449 -161874.9786 -109425.4956 298.0857 33.9968 60.1258 760467.0387 -13.4234 -13.4024 PRESSURE: 2948600 91.7966 166.33 154.662 166.33 -148.971 -39.1773 154.662 -39.1767 94.0677 GPRESSURE: 2948600 139.73 193.947 189.709 152.501 -46.2121 -73.1092 83.8871 45.5482 20.1431 PRESSAVG: 2948600 27.4038 -40.3973 0.931455 -40.3973 -22.0282 19.4563 0.931475 19.4563 13.3708 GPRESSAVG: 2948600 28.5601 -42.5669 0.710337 -43.1849 -23.3277 18.1173 -0.960291 22.2457 13.9342 TIMING: 2948600 CPU: 9209.88, 0.00312063/step Wall: 9209.88, 0.00312063/step, 1.77824 hours remaining, 234.050781 MB of memory in use. ENERGY: 2948600 4022.9177 20451.8471 14420.8312 244.8841 -203457.2169 2502.4750 0.0000 0.0000 51828.1083 -109986.1535 297.8569 -161814.2618 -109631.6905 298.1235 12.2978 37.8868 760910.1013 6.2488 6.3889 PRESSURE: 2948800 -364.465 76.7602 45.8612 76.7602 -262.869 145.069 45.8615 145.068 222.716 GPRESSURE: 2948800 -407.772 60.548 49.1719 73.6279 -115.876 59.4635 52.3307 186.6 203.063 PRESSAVG: 2948800 51.0911 2.12487 -2.36917 2.12487 -46.4367 -11.2309 -2.36911 -11.2308 24.8925 GPRESSAVG: 2948800 50.7691 3.71799 -1.48487 1.49666 -45.456 -9.57984 -2.60953 -12.5729 24.5453 TIMING: 2948800 CPU: 9210.51, 0.00313756/step Wall: 9210.51, 0.00313756/step, 1.78771 hours remaining, 234.050781 MB of memory in use. ENERGY: 2948800 4039.4406 20591.4088 14447.3712 264.7760 -203658.5958 2648.2585 0.0000 0.0000 51785.5362 -109881.8046 297.6122 -161667.3407 -109530.9636 298.0629 -134.8725 -106.8616 762951.8793 9.8490 9.9528 PRESSURE: 2949000 -81.9362 128.209 133.982 128.209 159.513 33.1144 133.982 33.1148 -147.418 GPRESSURE: 2949000 -45.9426 136.083 111.622 173.777 206.219 76.4004 -39.1833 3.84482 -139.408 PRESSAVG: 2949000 30.1963 26.5465 -36.4483 26.5465 -17.355 -18.0197 -36.4484 -18.0197 -8.14846 GPRESSAVG: 2949000 30.0203 26.0183 -37.5496 28.0167 -18.3849 -19.6759 -35.8279 -17.7969 -7.63344 TIMING: 2949000 CPU: 9211.14, 0.00313257/step Wall: 9211.14, 0.00313257/step, 1.7847 hours remaining, 234.050781 MB of memory in use. ENERGY: 2949000 3940.8632 20466.2709 14420.7693 245.9858 -203694.0641 2761.0149 0.0000 0.0000 52039.2361 -109819.9239 299.0702 -161859.1600 -109451.6672 298.5985 -23.2805 6.9562 761611.5441 1.5643 1.3340 PRESSURE: 2949200 -47.0319 -64.3244 98.684 -64.3251 -17.5908 -55.4641 98.683 -55.4629 195.039 GPRESSURE: 2949200 64.1037 -43.6735 28.5958 -14.7643 13.4463 -94.1561 125.696 -139.813 140.468 PRESSAVG: 2949200 25.3878 -37.0926 27.1598 -37.0925 6.054 -15.8858 27.1598 -15.8858 -2.17253 GPRESSAVG: 2949200 25.4462 -37.2314 27.2863 -36.839 6.52865 -15.6056 27.2215 -13.7979 -2.04119 TIMING: 2949200 CPU: 9211.76, 0.00311312/step Wall: 9211.76, 0.00311312/step, 1.77344 hours remaining, 234.050781 MB of memory in use. ENERGY: 2949200 4011.1974 20438.3664 14442.9801 283.5386 -203564.2236 2816.8960 0.0000 0.0000 51798.3135 -109772.9315 297.6856 -161571.2450 -109409.1772 299.3167 43.4720 72.6728 761172.5488 9.7564 9.9779 PRESSURE: 2949400 -86.765 -139.478 3.06583 -139.478 -80.2765 -27.8052 3.0656 -27.8046 205.985 GPRESSURE: 2949400 -108.78 -147.322 -64.6475 -149.797 -20.9055 -71.6313 74.1507 85.9015 231.215 PRESSAVG: 2949400 29.2243 19.3963 -48.3453 19.3963 -1.57755 -45.6768 -48.3453 -45.6768 -32.3343 GPRESSAVG: 2949400 29.5755 19.4691 -49.4604 18.9904 -1.63828 -46.0631 -45.3303 -47.4608 -32.6082 TIMING: 2949400 CPU: 9212.38, 0.0031032/step Wall: 9212.38, 0.0031032/step, 1.76762 hours remaining, 234.050781 MB of memory in use. ENERGY: 2949400 3941.7650 20470.9086 14427.6509 233.8929 -203160.2376 2450.3196 0.0000 0.0000 51913.5494 -109722.1512 298.3479 -161635.7005 -109357.0257 298.4688 12.9813 33.8431 760823.6502 -1.5625 -1.5570 PRESSURE: 2949600 112.36 -190.098 -174.13 -190.098 47.4201 -236.556 -174.13 -236.556 -90.9861 GPRESSURE: 2949600 92.0947 -64.3562 -56.2605 -189.479 70.2957 -169.755 -212.526 -300.658 -13.558 PRESSAVG: 2949600 2.33336 26.3642 -9.2495 26.3642 3.75017 -6.02795 -9.24948 -6.02804 14.2749 GPRESSAVG: 2949600 2.00294 26.8895 -8.06449 26.3556 3.74423 -4.85185 -11.2659 -6.9059 14.4417 TIMING: 2949600 CPU: 9213, 0.00309402/step Wall: 9213, 0.00309402/step, 1.76222 hours remaining, 234.050781 MB of memory in use. ENERGY: 2949600 3951.1718 20615.2345 14366.9988 246.8579 -203362.1714 2654.8093 0.0000 0.0000 51746.9883 -109780.1107 297.3907 -161527.0990 -109417.8304 298.5337 22.9314 49.6108 760591.4450 6.7861 6.7296 PRESSURE: 2949800 -134.532 -222.38 -101.797 -222.379 328.297 -277.095 -101.797 -277.095 140.036 GPRESSURE: 2949800 -170.231 -99.8042 -8.03764 -140.736 363.58 -188.021 -26.3224 -195.582 201.804 PRESSAVG: 2949800 -1.7105 -11.001 -49.8322 -11.0009 6.96691 -18.3364 -49.8323 -18.3364 -1.83194 GPRESSAVG: 2949800 -1.7077 -12.3786 -47.783 -8.16833 6.70478 -19.6243 -49.3899 -15.658 -2.2047 TIMING: 2949800 CPU: 9213.62, 0.00311361/step Wall: 9213.62, 0.00311361/step, 1.7732 hours remaining, 234.050781 MB of memory in use. ENERGY: 2949800 3986.4736 20608.9226 14377.0180 238.5791 -203740.7676 2826.1623 0.0000 0.0000 52099.5622 -109604.0497 299.4169 -161703.6119 -109254.8838 298.3222 111.2671 131.7180 762642.2178 1.1415 0.9308 PRESSURE: 2950000 77.8009 -117.853 -22.0521 -117.854 -56.2044 -4.33781 -22.0518 -4.3371 99.2855 GPRESSURE: 2950000 113.256 -95.6239 -54.6429 -196.299 -72.7964 20.08 -32.7838 -71.7419 168.148 PRESSAVG: 2950000 -4.60562 -10.4867 20.0012 -10.4867 -41.1224 -28.4068 20.0012 -28.4068 -27.9371 GPRESSAVG: 2950000 -4.45311 -9.90913 17.9684 -12.6544 -41.2763 -27.693 18.0953 -31.6197 -27.7039 TIMING: 2950000 CPU: 9214.24, 0.00309583/step Wall: 9214.24, 0.00309583/step, 1.7629 hours remaining, 234.050781 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: 2950000 4018.2361 20653.4999 14378.0909 235.6430 -203212.9281 2564.6915 0.0000 0.0000 51945.4507 -109417.3159 298.5312 -161362.7666 -109062.1415 299.1161 40.2940 69.5360 762053.1240 -24.5551 -24.4777 PRESSURE: 2950200 -129.093 227.847 345.845 227.847 -179.042 -193.597 345.845 -193.598 -553.978 GPRESSURE: 2950200 -182.466 171.43 365.454 164.107 -117.329 -208.412 166.618 -283.077 -470.259 PRESSAVG: 2950200 -6.80766 -68.7173 17.7369 -68.7173 -10.2329 -87.7989 17.7369 -87.7989 25.7821 GPRESSAVG: 2950200 -8.42587 -68.8397 18.7244 -68.8256 -9.98982 -87.8866 17.2346 -88.3597 27.2394 TIMING: 2950200 CPU: 9214.86, 0.00310236/step Wall: 9214.86, 0.00310236/step, 1.76645 hours remaining, 234.050781 MB of memory in use. ENERGY: 2950200 3990.9435 20526.2107 14444.7227 243.2883 -203143.7696 2592.0950 0.0000 0.0000 51809.6415 -109536.8680 297.7507 -161346.5094 -109179.5454 299.1611 -287.3712 -256.6846 761794.6829 2.9139 2.9412 PRESSURE: 2950400 -17.702 115.132 -107.544 115.133 136.797 -65.8928 -107.545 -65.8922 40.1266 GPRESSURE: 2950400 -50.3896 165.98 -149.414 149.414 193.8 -47.2582 -67.3291 -178.257 76.7394 PRESSAVG: 2950400 14.0997 -22.2278 -14.8467 -22.2278 -21.89 -1.7265 -14.8467 -1.72643 8.35595 GPRESSAVG: 2950400 15.3491 -22.6337 -15.5321 -21.8842 -20.7502 -1.3904 -11.5285 -1.39724 6.31834 TIMING: 2950400 CPU: 9215.48, 0.00310448/step Wall: 9215.48, 0.00310448/step, 1.76748 hours remaining, 234.050781 MB of memory in use. ENERGY: 2950400 3936.4206 20667.6540 14422.0554 249.0283 -203493.7325 2727.9897 0.0000 0.0000 52059.9288 -109430.6555 299.1891 -161490.5844 -109083.7807 299.1046 53.0740 73.3834 761255.8177 0.1885 0.3057 PRESSURE: 2950600 -20.0282 -143.565 -8.58824 -143.566 -281.893 -211.98 -8.58849 -211.98 -138.964 GPRESSURE: 2950600 110.06 -114.597 19.6369 -86.061 -286.635 -174.49 -94.4859 -158.749 -165.067 PRESSAVG: 2950600 9.78994 -23.6118 -7.92236 -23.6118 -0.253663 18.8958 -7.92238 18.8959 7.04252 GPRESSAVG: 2950600 10.3546 -20.2985 -7.69876 -24.2518 -1.24718 18.2214 -8.93285 19.6134 7.56042 TIMING: 2950600 CPU: 9216.1, 0.00311258/step Wall: 9216.1, 0.00311258/step, 1.77192 hours remaining, 234.050781 MB of memory in use. ENERGY: 2950600 4027.0731 20609.4138 14397.7077 254.1667 -203471.6504 2717.0778 0.0000 0.0000 52078.7711 -109387.4402 299.2974 -161466.2113 -109023.6365 299.4945 -146.9620 -113.8803 761067.9892 5.5263 5.5559 PRESSURE: 2950800 215.847 -173.974 -18.2084 -173.973 -160.845 -39.883 -18.2096 -39.8833 125.981 GPRESSURE: 2950800 223.908 -39.5008 58.0107 -103.021 -92.904 3.445 -61.7524 -122.59 145.041 PRESSAVG: 2950800 41.0259 -51.8518 9.26668 -51.8518 -38.6247 13.5361 9.26661 13.5361 -23.5241 GPRESSAVG: 2950800 41.6166 -52.7435 8.89047 -50.0817 -38.3696 12.6575 10.8102 12.8605 -23.9342 TIMING: 2950800 CPU: 9216.73, 0.00312177/step Wall: 9216.73, 0.00312177/step, 1.77698 hours remaining, 234.050781 MB of memory in use. ENERGY: 2950800 3990.2263 20499.4232 14402.4312 242.4498 -203331.5158 2567.0971 0.0000 0.0000 52043.2139 -109586.6742 299.0931 -161629.8881 -109217.5459 298.8991 60.3276 92.0149 762351.4510 -7.0410 -6.8958 PRESSURE: 2951000 -377.692 67.4484 207.058 67.4494 -29.606 194.004 207.058 194.003 -378.759 GPRESSURE: 2951000 -261.398 38.8679 80.7345 -70.8697 -102.111 221.288 206.585 179.94 -345.822 PRESSAVG: 2951000 14.3687 -30.6403 -4.84658 -30.6402 50.7916 7.67401 -4.84662 7.67401 -22.9483 GPRESSAVG: 2951000 13.9418 -32.6917 -5.3383 -31.3425 51.7024 8.51621 -6.16709 9.69912 -22.7979 TIMING: 2951000 CPU: 9217.35, 0.00311244/step Wall: 9217.35, 0.00311244/step, 1.7715 hours remaining, 234.050781 MB of memory in use. ENERGY: 2951000 3988.2849 20536.9999 14458.5225 238.3409 -203862.6310 2900.0161 0.0000 0.0000 52029.1742 -109711.2925 299.0124 -161740.4667 -109350.7913 298.8043 -262.0191 -236.4438 762529.4757 14.0706 14.2821 PRESSURE: 2951200 -59.9419 -11.5778 158.549 -11.5778 -153.924 44.0094 158.549 44.0088 -312.765 GPRESSURE: 2951200 -13.4857 -73.8696 134.622 -49.7003 -152.776 61.5074 225.811 47.2068 -265.071 PRESSAVG: 2951200 47.1895 -6.18446 13.8056 -6.18449 1.58245 27.559 13.8056 27.5591 24.9914 GPRESSAVG: 2951200 47.8787 -4.27331 16.5468 -5.66975 0.476536 26.5663 13.6389 27.8313 25.2438 TIMING: 2951200 CPU: 9217.98, 0.00313226/step Wall: 9217.98, 0.00313226/step, 1.7826 hours remaining, 234.050781 MB of memory in use. ENERGY: 2951200 3938.1861 20621.9939 14466.9263 250.1919 -203104.5613 2342.8900 0.0000 0.0000 51867.3702 -109617.0029 298.0825 -161484.3731 -109245.2235 299.0354 -175.5438 -143.7776 762557.1122 24.5878 24.5330 PRESSURE: 2951400 -13.178 8.66824 -109.375 8.66847 130.931 -27.3786 -109.375 -27.3786 -525.221 GPRESSURE: 2951400 73.4352 150.911 23.209 9.94708 44.3761 -4.05109 -205.285 -103.009 -455.403 PRESSAVG: 2951400 37.5433 -29.1857 -14.652 -29.1858 -22.0593 18.7424 -14.652 18.7423 8.81319 GPRESSAVG: 2951400 35.0643 -31.3605 -16.8971 -29.7212 -19.6827 18.4507 -16.0426 17.009 8.87775 TIMING: 2951400 CPU: 9218.6, 0.00312157/step Wall: 9218.6, 0.00312157/step, 1.77635 hours remaining, 234.050781 MB of memory in use. ENERGY: 2951400 3968.0288 20609.1338 14374.2653 248.4095 -203533.1799 2664.3289 0.0000 0.0000 51831.7026 -109837.3110 297.8775 -161669.0136 -109478.8356 298.3265 -135.8225 -112.5307 763074.6493 8.0991 8.0865 PRESSURE: 2951600 -16.3466 -24.9483 26.4911 -24.9488 71.5699 -40.3402 26.4926 -40.3396 161.025 GPRESSURE: 2951600 25.8092 2.67129 230.165 62.1645 27.9579 -71.7517 -107.773 -104.61 243.533 PRESSAVG: 2951600 43.7785 -32.7276 10.499 -32.7277 -46.5925 0.0609284 10.499 0.0609474 22.9358 GPRESSAVG: 2951600 45.6868 -29.8382 9.6595 -32.6996 -48.1011 0.576273 12.5394 1.64878 22.7234 TIMING: 2951600 CPU: 9219.23, 0.00311605/step Wall: 9219.23, 0.00311605/step, 1.77303 hours remaining, 234.050781 MB of memory in use. ENERGY: 2951600 3983.8414 20486.0456 14331.8199 265.0083 -203323.9906 2562.0146 0.0000 0.0000 51808.0739 -109887.1870 297.7417 -161695.2609 -109533.7156 297.9267 72.0828 99.0999 762603.1977 6.7073 6.7697 PRESSURE: 2951800 365.638 -38.268 -172.479 -38.2681 96.0015 -44.2127 -172.48 -44.2129 -264.108 GPRESSURE: 2951800 294.847 26.2437 -78.6696 17.6207 273.865 -113.02 -190.115 -161.831 -280.727 PRESSAVG: 2951800 27.8383 -40.6747 2.54029 -40.6747 -11.7553 -6.32846 2.54032 -6.3284 -6.50096 GPRESSAVG: 2951800 27.0049 -41.6805 5.0231 -39.561 -11.2393 -7.12774 0.902153 -5.86516 -6.36682 TIMING: 2951800 CPU: 9219.85, 0.00313202/step Wall: 9219.85, 0.00313202/step, 1.78195 hours remaining, 234.050781 MB of memory in use. ENERGY: 2951800 4000.2339 20477.1507 14415.7095 264.9387 -203735.6462 2752.5546 0.0000 0.0000 51954.1858 -109870.8729 298.5814 -161825.0587 -109509.4525 298.4023 65.8439 95.9952 761285.1080 3.1940 3.1329 PRESSURE: 2952000 -180.128 31.7399 60.1596 31.7404 -121.905 160.069 60.1599 160.07 162.259 GPRESSURE: 2952000 -129.256 36.5189 46.6401 34.4994 -72.304 97.2753 32.2772 132.137 151.662 PRESSAVG: 2952000 56.0641 -28.1014 24.0088 -28.1014 -9.9404 14.2612 24.0088 14.2612 24.3468 GPRESSAVG: 2952000 56.3297 -27.6876 21.8239 -30.7121 -10.2957 14.8223 25.4618 13.4694 24.5517 TIMING: 2952000 CPU: 9220.48, 0.00313302/step Wall: 9220.48, 0.00313302/step, 1.78234 hours remaining, 234.050781 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: 2952000 3984.8655 20436.1057 14483.4529 245.6350 -203700.1413 2868.9873 0.0000 0.0000 51802.2113 -109878.8836 297.7080 -161681.0949 -109511.2650 298.2916 -46.5912 -16.6326 761045.9547 23.4902 23.5286 PRESSURE: 2952200 -21.6649 299.755 98.6231 299.755 -440.49 238.72 98.6229 238.72 300.302 GPRESSURE: 2952200 2.50571 285.072 137.699 332.892 -395.594 183.605 -4.97349 145.607 318.971 PRESSAVG: 2952200 63.6565 -44.3198 13.6213 -44.3197 -83.7502 -55.0731 13.6212 -55.0731 4.48146 GPRESSAVG: 2952200 63.2894 -44.4206 14.5353 -44.8077 -83.9939 -54.5567 13.4 -56.6003 5.1047 TIMING: 2952200 CPU: 9221.1, 0.00312427/step Wall: 9221.1, 0.00312427/step, 1.77719 hours remaining, 234.050781 MB of memory in use. ENERGY: 2952200 3975.0653 20328.7820 14409.1962 259.2016 -203694.2940 2624.9764 0.0000 0.0000 52001.5659 -110095.5067 298.8537 -162097.0726 -109729.9117 297.8848 -53.9508 -24.7057 760916.9183 -5.2041 -5.1999 LDB: ============= START OF LOAD BALANCING ============== 9233.58 LDB: ============== END OF LOAD BALANCING =============== 9233.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9233.58 LDB: ============= START OF LOAD BALANCING ============== 9233.89 LDB: Largest compute 7041 load 0.028184 is 14.4% of average load 0.195139 LDB: Average compute 0.004353 is 2.2% of average load 0.195139 LDB: TIME 9233.9 LOAD: AVG 0.195139 MAX 0.214563 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.051 MB LDB: TIME 9233.9 LOAD: AVG 0.195139 MAX 0.214563 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.051 MB LDB: TIME 9233.9 LOAD: AVG 0.195139 MAX 0.214563 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.051 MB LDB: ============== END OF LOAD BALANCING =============== 9233.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9233.91 PRESSURE: 2952400 60.56 -47.2641 -253.332 -47.2639 204.281 -333.983 -253.332 -333.985 -32.8521 GPRESSURE: 2952400 26.1613 27.7155 -195.574 -62.5228 307.539 -416.217 -235.12 -145.888 -31.9251 PRESSAVG: 2952400 6.72632 -19.8559 -52.0672 -19.8558 -38.6173 -1.64553 -52.0672 -1.64557 -6.89315 GPRESSAVG: 2952400 5.63985 -19.727 -52.9266 -18.233 -38.3238 -0.785866 -52.5025 -0.719159 -6.54115 TIMING: 2952400 CPU: 9221.74, 0.00318266/step Wall: 9221.74, 0.00318266/step, 1.81023 hours remaining, 234.308594 MB of memory in use. ENERGY: 2952400 3935.3525 20414.4812 14436.4730 243.9448 -203978.5502 2876.8176 0.0000 0.0000 52056.9397 -110014.5415 299.1719 -162071.4811 -109649.9113 297.5456 77.3295 100.5919 759912.9268 -12.9281 -13.0750 PRESSURE: 2952600 164.868 -58.5716 166.774 -58.5718 104.078 35.3099 166.774 35.3106 -205.322 GPRESSURE: 2952600 130.567 -115.538 169.431 -62.0501 150.489 -6.43496 148.338 -12.234 -145.373 PRESSAVG: 2952600 -7.98243 -44.4952 5.23864 -44.4952 -4.79707 -14.2639 5.23862 -14.2639 10.931 GPRESSAVG: 2952600 -7.48597 -47.1009 5.36054 -45.9348 -4.70885 -14.6349 5.02889 -13.0044 10.5134 TIMING: 2952600 CPU: 9222.36, 0.00312413/step Wall: 9222.36, 0.00312413/step, 1.77676 hours remaining, 234.308594 MB of memory in use. ENERGY: 2952600 4043.5497 20470.0217 14445.8027 234.0361 -203440.2307 2828.3373 0.0000 0.0000 51680.7866 -109737.6967 297.0102 -161418.4833 -109380.8979 297.9044 21.2082 45.2277 760876.1079 -0.6162 -0.5605 PRESSURE: 2952800 364.844 194.33 -218.991 194.331 -143.965 -26.3248 -218.991 -26.3244 217.597 GPRESSURE: 2952800 382.515 80.2129 -194.635 255.531 -50.607 -16.4819 -280.474 14.8165 193.254 PRESSAVG: 2952800 55.0388 17.8963 9.52989 17.8962 -55.6333 -2.80981 9.52985 -2.80976 1.01049 GPRESSAVG: 2952800 54.98 18.0816 9.87228 19.0327 -54.7678 -3.92561 9.22684 -1.71227 0.55748 TIMING: 2952800 CPU: 9222.99, 0.00313321/step Wall: 9222.99, 0.00313321/step, 1.78175 hours remaining, 234.566406 MB of memory in use. ENERGY: 2952800 3982.0287 20446.7876 14401.0746 264.3463 -203394.9246 2709.9651 0.0000 0.0000 52048.9406 -109541.7818 299.1260 -161590.7224 -109185.2527 298.5742 146.1587 175.0541 760913.4393 0.1387 0.2565 PRESSURE: 2953000 78.0885 37.831 -3.69806 37.831 26.2441 283.955 -3.6973 283.955 -218.141 GPRESSURE: 2953000 162.493 38.3469 -18.7274 62.2276 -11.1522 201.508 50.4265 282.835 -186.51 PRESSAVG: 2953000 69.6163 -17.8056 9.30158 -17.8056 -22.1926 -0.578765 9.30162 -0.578763 2.76344 GPRESSAVG: 2953000 70.0395 -16.0029 9.81499 -18.2276 -23.0567 0.60152 8.44067 -1.84757 3.13045 TIMING: 2953000 CPU: 9223.62, 0.00312528/step Wall: 9223.62, 0.00312528/step, 1.77707 hours remaining, 234.566406 MB of memory in use. ENERGY: 2953000 3983.3849 20399.5852 14484.0196 228.5620 -202865.8633 2408.0182 0.0000 0.0000 51978.4934 -109383.8000 298.7211 -161362.2934 -109028.0816 299.0345 -37.9361 -11.7232 761019.4196 16.7290 16.7044 PRESSURE: 2953200 -239.448 56.8597 106.016 56.8588 -351.76 -272.309 106.015 -272.309 -26.0176 GPRESSURE: 2953200 -183.728 -14.5832 100.553 139.768 -351.538 -254.703 60.5144 -242.371 -7.66954 PRESSAVG: 2953200 33.0068 -2.17715 7.21995 -2.17711 -72.4167 -21.4899 7.21997 -21.4898 -11.9474 GPRESSAVG: 2953200 34.2403 -2.44344 4.58359 -2.33958 -73.1351 -20.43 9.54733 -21.2401 -12.0538 TIMING: 2953200 CPU: 9224.24, 0.00312687/step Wall: 9224.24, 0.00312687/step, 1.7778 hours remaining, 234.566406 MB of memory in use. ENERGY: 2953200 3978.5693 20476.1850 14464.0219 274.3020 -203091.2520 2519.3972 0.0000 0.0000 51879.4330 -109499.3436 298.1518 -161378.7766 -109141.6934 298.6127 -205.7416 -180.9783 763500.5117 -17.1191 -16.9829 PRESSURE: 2953400 -46.9353 80.7637 -4.36917 80.7643 199.507 120.121 -4.36878 120.12 223.798 GPRESSURE: 2953400 -50.3062 83.8248 -35.5365 269.691 239.04 79.252 122.351 131.779 261.097 PRESSAVG: 2953400 -17.3099 -58.7218 -20.3131 -58.7218 26.0748 -16.1385 -20.3131 -16.1386 9.2094 GPRESSAVG: 2953400 -19.4713 -58.6373 -19.8467 -58.0815 28.2877 -16.8772 -19.6188 -18.1804 9.74372 TIMING: 2953400 CPU: 9224.86, 0.00311083/step Wall: 9224.86, 0.00311083/step, 1.76851 hours remaining, 234.566406 MB of memory in use. ENERGY: 2953400 3943.1417 20393.6133 14455.5334 256.0568 -203311.8711 2532.6312 0.0000 0.0000 52363.1956 -109367.6991 300.9320 -161730.8947 -109013.7787 298.4187 125.4564 149.9434 762101.2164 5.9914 6.1867 PRESSURE: 2953600 61.3365 -105.996 -264.365 -105.996 46.8192 42.6626 -264.367 42.6635 -157.794 GPRESSURE: 2953600 161.327 -109.493 -155.213 -17.5923 97.0146 24.0592 -190.334 138.036 -234.654 PRESSAVG: 2953600 -5.39131 -28.9824 -10.6664 -28.9823 -17.6776 -17.2239 -10.6665 -17.2239 8.42885 GPRESSAVG: 2953600 -3.07909 -29.5832 -8.91405 -27.5646 -19.3536 -17.8879 -13.3206 -14.2241 8.05218 TIMING: 2953600 CPU: 9225.49, 0.00311467/step Wall: 9225.49, 0.00311467/step, 1.77052 hours remaining, 234.566406 MB of memory in use. ENERGY: 2953600 3927.6122 20411.3839 14449.1515 253.7998 -203292.7373 2817.6277 0.0000 0.0000 52214.0760 -109219.0863 300.0750 -161433.1623 -108850.1237 298.9671 -16.5462 7.8960 762088.0117 -4.8800 -4.7935 PRESSURE: 2953800 -301.213 -288.214 -35.4222 -288.213 -438.86 -39.7899 -35.4227 -39.79 -411.605 GPRESSURE: 2953800 -285.171 -327.403 103.74 -225.224 -330.587 71.3152 75.6137 -221.25 -460.428 PRESSAVG: 2953800 2.34218 -7.06217 -49.2695 -7.06209 -5.90634 9.38768 -49.2695 9.38764 24.7655 GPRESSAVG: 2953800 1.42388 -6.58564 -48.6709 -7.70229 -4.8593 9.74413 -49.173 7.75365 24.332 TIMING: 2953800 CPU: 9226.11, 0.00313036/step Wall: 9226.11, 0.00313036/step, 1.77926 hours remaining, 234.566406 MB of memory in use. ENERGY: 2953800 3958.8315 20499.0443 14419.5757 228.9677 -202587.2535 2292.8998 0.0000 0.0000 51976.4365 -109211.4979 298.7093 -161187.9344 -108848.0164 299.1761 -383.8928 -358.7287 763036.1336 7.0671 6.9655 PRESSURE: 2954000 -123.711 -12.8255 -245.615 -12.825 -141.605 -111.695 -245.615 -111.695 225.394 GPRESSURE: 2954000 -86.7506 63.4587 -360.648 -7.03004 -91.1882 -94.3569 -104.635 -101.683 227.976 PRESSAVG: 2954000 -22.3006 -10.3464 7.4751 -10.3464 0.14685 -11.4745 7.47505 -11.4744 -1.13107 GPRESSAVG: 2954000 -21.5089 -9.37251 6.18336 -11.3487 -0.0253627 -12.0447 8.52968 -10.3892 -1.2977 TIMING: 2954000 CPU: 9226.73, 0.00309703/step Wall: 9226.73, 0.00309703/step, 1.76014 hours remaining, 234.566406 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: 2954000 3961.6779 20407.5212 14482.6820 225.9727 -202594.7755 2393.6277 0.0000 0.0000 51855.5424 -109267.7517 298.0145 -161123.2941 -108912.7033 298.7372 -13.3074 16.6791 762866.4567 -7.7616 -7.6106 PRESSURE: 2954200 -170.545 -128.842 -8.73217 -128.841 43.8788 -48.3282 -8.73175 -48.328 -523.826 GPRESSURE: 2954200 -148.847 -124.208 19.8669 -184.348 5.48512 64.3242 -17.1885 -27.6267 -434.813 PRESSAVG: 2954200 -35.2889 -5.57702 10.5302 -5.57698 37.1095 51.6688 10.5303 51.6689 -11.9206 GPRESSAVG: 2954200 -34.8063 -4.37621 10.1944 -5.67215 36.1308 51.7662 9.68743 50.7552 -10.7987 TIMING: 2954200 CPU: 9227.35, 0.00310248/step Wall: 9227.35, 0.00310248/step, 1.76307 hours remaining, 234.566406 MB of memory in use. ENERGY: 2954200 3945.2571 20578.0756 14350.0581 258.4741 -202691.3625 2299.1866 0.0000 0.0000 52092.2181 -109168.0929 299.3747 -161260.3110 -108810.0227 299.1597 -216.8306 -192.7247 762244.4715 -3.3667 -3.1580 PRESSURE: 2954400 -41.2799 119.738 -79.0494 119.737 -77.0344 -15.4835 -79.0496 -15.4843 -296.719 GPRESSURE: 2954400 -111.43 134.942 -87.2044 -13.0297 -7.34752 -90.7863 -22.5201 -104.602 -204.105 PRESSAVG: 2954400 -24.4319 -4.7718 -13.8159 -4.77175 4.0868 -21.4483 -13.816 -21.4484 -1.05302 GPRESSAVG: 2954400 -25.9945 -4.32653 -14.5387 -6.03289 5.6908 -23.1835 -13.6037 -21.5747 -1.07863 TIMING: 2954400 CPU: 9227.98, 0.00311379/step Wall: 9227.98, 0.00311379/step, 1.76932 hours remaining, 234.566406 MB of memory in use. ENERGY: 2954400 3957.5482 20544.0068 14357.5292 251.6499 -202860.0170 2563.1285 0.0000 0.0000 51892.6987 -109293.4556 298.2281 -161186.1543 -108936.6223 299.5372 -138.3445 -107.6278 763209.4544 -7.1327 -7.1274 PRESSURE: 2954600 25.3673 31.5782 -121.388 31.579 219.582 39.5925 -121.387 39.5919 237.448 GPRESSURE: 2954600 126.748 67.2864 -85.513 130.301 209.962 -9.07588 -68.2577 83.6711 220.245 PRESSAVG: 2954600 30.499 45.4739 22.8943 45.474 -13.5672 51.9264 22.8943 51.9264 11.3708 GPRESSAVG: 2954600 31.4637 46.4658 23.6403 46.7115 -15.661 52.1883 23.4076 51.4334 12.1222 TIMING: 2954600 CPU: 9228.6, 0.00311547/step Wall: 9228.6, 0.00311547/step, 1.77011 hours remaining, 234.566406 MB of memory in use. ENERGY: 2954600 3908.7584 20462.1068 14469.8328 235.7505 -203254.1255 2705.0183 0.0000 0.0000 52170.9881 -109301.6706 299.8274 -161472.6587 -108952.8515 299.2884 160.7990 185.6516 761232.0061 9.4342 9.3083 PRESSURE: 2954800 -113.974 136.9 -244.206 136.899 -195.904 -315.509 -244.205 -315.51 -369.712 GPRESSURE: 2954800 -85.379 98.5203 -236.723 158.419 -119.402 -238.914 -334.655 -233.185 -364.819 PRESSAVG: 2954800 47.622 3.00267 53.3 3.00271 -14.4869 -30.6236 53.3 -30.6235 -0.234397 GPRESSAVG: 2954800 47.4124 1.23963 55.2992 1.85562 -13.1127 -30.3911 51.6048 -29.2507 -1.37244 TIMING: 2954800 CPU: 9229.22, 0.0031041/step Wall: 9229.22, 0.0031041/step, 1.76347 hours remaining, 234.566406 MB of memory in use. ENERGY: 2954800 4027.7126 20481.4967 14430.3098 235.7590 -202871.8026 2469.3093 0.0000 0.0000 52040.4114 -109186.8039 299.0770 -161227.2153 -108822.2890 299.4286 -226.5299 -189.8668 761627.2631 10.9669 10.9758 PRESSURE: 2955000 577.99 -139.308 4.52682 -139.308 29.0552 8.10279 4.52688 8.10241 189.927 GPRESSURE: 2955000 586.075 -197.912 17.629 -279.584 137.36 -156.742 -67.2229 128.865 196.11 PRESSAVG: 2955000 -1.03055 -29.2615 0.745133 -29.2615 -48.278 -16.188 0.745066 -16.1881 15.1476 GPRESSAVG: 2955000 -1.40166 -29.3748 -1.0898 -28.6091 -47.6487 -18.6143 3.50341 -14.3208 14.696 TIMING: 2955000 CPU: 9229.85, 0.00313779/step Wall: 9229.85, 0.00313779/step, 1.78244 hours remaining, 234.566406 MB of memory in use. ENERGY: 2955000 3938.6271 20353.6712 14453.9047 248.6175 -203470.8325 2880.9476 0.0000 0.0000 52219.8856 -109375.1788 300.1084 -161595.0643 -109017.6973 299.1956 265.6574 306.5151 760563.9113 -11.3870 -11.4515 PRESSURE: 2955200 10.5075 161.663 -61.1702 161.663 -325.518 -107.042 -61.17 -107.042 -67.3815 GPRESSURE: 2955200 -17.042 238.045 -50.5616 160.55 -227.527 -50.3189 -160.377 -72.935 -51.7459 PRESSAVG: 2955200 14.7297 -15.2845 22.0584 -15.2845 -22.1992 -26.3351 22.0583 -26.3351 -3.95676 GPRESSAVG: 2955200 12.484 -15.6749 21.27 -14.4875 -20.7296 -24.8431 17.1671 -27.0861 -3.25195 TIMING: 2955200 CPU: 9230.47, 0.00312442/step Wall: 9230.47, 0.00312442/step, 1.77467 hours remaining, 234.566406 MB of memory in use. ENERGY: 2955200 3956.0209 20549.6301 14461.5119 237.3814 -203133.5594 2521.3072 0.0000 0.0000 51904.3005 -109503.4073 298.2947 -161407.7079 -109149.2519 299.2438 -127.4639 -98.7717 761484.5631 -3.8088 -3.8325 PRESSURE: 2955400 178.098 100.264 201.087 100.264 -220.766 -75.4548 201.088 -75.4543 188.257 GPRESSURE: 2955400 193.953 20.6607 173.811 58.2296 -243.746 -22.0321 112.032 -69.9481 277.218 PRESSAVG: 2955400 36.2954 33.8277 -20.5892 33.8277 -25.3568 -26.1045 -20.5892 -26.1046 2.55927 GPRESSAVG: 2955400 37.5764 34.8135 -20.8099 32.7693 -26.5298 -25.0739 -15.6745 -26.9939 2.76452 TIMING: 2955400 CPU: 9231.1, 0.00312181/step Wall: 9231.1, 0.00312181/step, 1.77301 hours remaining, 234.566406 MB of memory in use. ENERGY: 2955400 3909.5380 20417.9152 14500.7168 249.0630 -202921.8107 2186.0527 0.0000 0.0000 52138.4554 -109520.0696 299.6404 -161658.5250 -109169.3345 298.6625 48.5298 75.8081 759502.1853 4.4993 4.6037 PRESSURE: 2955600 158.286 76.1876 90.0635 76.1882 48.2826 -342.241 90.0633 -342.242 -294.949 GPRESSURE: 2955600 213.806 34.9063 26.7279 138.412 49.7803 -214.592 149.461 -254.686 -281.353 PRESSAVG: 2955600 -20.2435 -10.5885 41.8079 -10.5883 -15.6245 30.0273 41.8079 30.0273 -14.4164 GPRESSAVG: 2955600 -19.0635 -10.6146 41.6889 -11.7825 -15.357 31.5176 40.0516 29.9454 -15.418 TIMING: 2955600 CPU: 9231.73, 0.00316346/step Wall: 9231.73, 0.00316346/step, 1.7965 hours remaining, 234.566406 MB of memory in use. ENERGY: 2955600 3968.4171 20416.3268 14381.5134 245.0954 -202855.6265 2548.3857 0.0000 0.0000 52043.5387 -109252.3493 299.0949 -161295.8881 -108888.9352 298.8991 -29.4601 -5.9224 761349.5151 -16.7615 -16.6128 PRESSURE: 2955800 77.1336 -68.1844 72.8231 -68.1849 -246.703 29.2591 72.8235 29.2592 41.4793 GPRESSURE: 2955800 100.647 -170.548 97.1982 -24.9431 -235.405 23.9899 71.4896 4.23652 92.6099 PRESSAVG: 2955800 -0.265123 -18.6418 1.47389 -18.6418 -10.204 4.03715 1.47386 4.03719 20.289 GPRESSAVG: 2955800 -0.406299 -19.1069 1.88923 -19.3258 -10.0078 3.30023 1.34823 3.75976 20.7066 TIMING: 2955800 CPU: 9232.36, 0.0031505/step Wall: 9232.36, 0.0031505/step, 1.78896 hours remaining, 234.566406 MB of memory in use. ENERGY: 2955800 3901.2334 20465.6708 14410.8192 263.4649 -202538.7169 2183.6231 0.0000 0.0000 52009.8969 -109304.0087 298.9016 -161313.9056 -108943.4575 299.2863 -42.6967 -14.0493 761375.6499 3.2733 3.4308 PRESSURE: 2956000 -174.357 255.944 52.4046 255.944 -321.421 155.674 52.4049 155.674 347.844 GPRESSURE: 2956000 -179.869 191.57 80.3673 238.605 -215.262 161.056 25.3863 107.349 331.773 PRESSAVG: 2956000 21.395 -60.7186 22.7285 -60.7188 -43.8357 -11.7211 22.7285 -11.721 -8.02225 GPRESSAVG: 2956000 22.3845 -59.5767 21.9768 -58.3518 -43.1598 -10.3475 24.5285 -12.3574 -9.61541 TIMING: 2956000 CPU: 9232.99, 0.00316116/step Wall: 9232.99, 0.00316116/step, 1.79483 hours remaining, 234.566406 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: 2956000 3941.4347 20561.2142 14440.0919 238.5215 -202758.2564 2289.4322 0.0000 0.0000 52244.8790 -109042.6830 300.2520 -161287.5620 -108686.3296 300.0621 -49.3111 -21.1192 761533.0147 -10.1543 -10.1303 PRESSURE: 2956200 -199.882 -199.966 -23.5805 -199.966 -55.9075 -121.449 -23.5806 -121.449 262.427 GPRESSURE: 2956200 -112.972 -231.362 -52.4954 -92.4711 -3.378 -48.416 135.523 -44.6091 215.64 PRESSAVG: 2956200 -6.10386 -59.4411 -27.7242 -59.4411 -2.43171 11.4943 -27.7242 11.4942 4.62621 GPRESSAVG: 2956200 -7.00071 -61.3548 -27.2591 -59.661 -2.51261 11.6795 -29.8887 10.3572 5.39621 TIMING: 2956200 CPU: 9233.62, 0.00313707/step Wall: 9233.62, 0.00313707/step, 1.78099 hours remaining, 234.566406 MB of memory in use. ENERGY: 2956200 3987.1296 20385.1518 14449.7590 235.3835 -203323.0018 2650.7662 0.0000 0.0000 52188.4952 -109426.3166 299.9280 -161614.8117 -109068.7047 299.7568 2.2125 33.0965 760890.9000 -1.3031 -1.3724 LDB: ============= START OF LOAD BALANCING ============== 9246.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9246.1 LDB: =============== DONE WITH MIGRATION ================ 9246.1 LDB: ============= START OF LOAD BALANCING ============== 9246.42 LDB: Largest compute 7030 load 0.030774 is 15.8% of average load 0.195257 LDB: Average compute 0.004396 is 2.3% of average load 0.195257 LDB: TIME 9246.42 LOAD: AVG 0.195257 MAX 0.215803 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.523 MB LDB: TIME 9246.42 LOAD: AVG 0.195257 MAX 0.215803 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.523 MB LDB: TIME 9246.42 LOAD: AVG 0.195257 MAX 0.215803 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.523 MB LDB: ============== END OF LOAD BALANCING =============== 9246.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9246.43 PRESSURE: 2956400 -166.582 -2.1533 231.645 -2.15398 72.0404 -288.246 231.646 -288.246 -125.872 GPRESSURE: 2956400 -65.2915 -38.1581 254.764 45.4159 55.4291 -234.627 151.814 -289.911 -130.39 PRESSAVG: 2956400 -0.679349 -16.8697 0.749147 -16.8697 -14.2691 6.21085 0.74908 6.21082 -12.7149 GPRESSAVG: 2956400 -0.118026 -16.4292 0.341095 -17.3553 -15.825 3.86335 3.0532 7.84458 -11.7654 TIMING: 2956400 CPU: 9234.26, 0.00321854/step Wall: 9234.26, 0.00321854/step, 1.82706 hours remaining, 234.035156 MB of memory in use. ENERGY: 2956400 3980.7361 20596.7821 14470.4750 246.3270 -203336.6919 2621.6546 0.0000 0.0000 52110.4300 -109310.2872 299.4794 -161420.7171 -108949.7298 298.8419 -73.4711 -46.7508 762870.9010 -9.2211 -9.2362 PRESSURE: 2956600 103.104 41.4139 -6.66607 41.4142 -3.53971 91.6882 -6.66528 91.6895 471.841 GPRESSURE: 2956600 171.543 62.1157 -31.7662 -11.0039 50.3304 117.907 -20.0331 43.0192 440.73 PRESSAVG: 2956600 10.8067 -24.9672 19.7429 -24.9672 -2.97429 7.68755 19.7429 7.68746 19.6481 GPRESSAVG: 2956600 10.8506 -24.3428 20.4578 -24.8331 -1.26757 7.96519 19.2945 7.16447 18.2478 TIMING: 2956600 CPU: 9234.89, 0.00314923/step Wall: 9234.89, 0.00314923/step, 1.78754 hours remaining, 234.035156 MB of memory in use. ENERGY: 2956600 4009.1952 20338.4820 14484.5944 246.0882 -203160.0702 2649.7657 0.0000 0.0000 52214.6577 -109217.2870 300.0784 -161431.9447 -108851.2247 299.2295 190.4686 220.8679 762548.8652 9.1602 9.2769 PRESSURE: 2956800 -163.927 -81.8019 -42.0554 -81.802 -117.631 -103.215 -42.0551 -103.216 -236.188 GPRESSURE: 2956800 -135.839 -135.873 21.5679 -107.834 -72.2881 -63.3547 8.90044 -62.2311 -228.836 PRESSAVG: 2956800 -21.4938 2.71538 -53.7663 2.71545 10.9521 6.97055 -53.7663 6.97051 18.3797 GPRESSAVG: 2956800 -20.8789 2.40348 -51.9182 -0.589684 9.87866 5.94426 -56.0874 9.60867 18.5163 TIMING: 2956800 CPU: 9235.52, 0.00314683/step Wall: 9235.52, 0.00314683/step, 1.786 hours remaining, 234.035156 MB of memory in use. ENERGY: 2956800 4032.0750 20458.6602 14400.1376 247.9938 -202727.7103 2290.7584 0.0000 0.0000 52060.9322 -109237.1530 299.1949 -161298.0852 -108874.6458 299.6442 -172.5820 -145.6544 762195.4532 2.6127 2.5053 PRESSURE: 2957000 -183.203 -149.16 38.5156 -149.16 65.6761 153.612 38.5163 153.613 230.976 GPRESSURE: 2957000 -20.9447 -103.173 96.6128 -116.876 -29.2634 178.253 20.8216 153.053 235.465 PRESSAVG: 2957000 23.4463 -44.3779 -11.4649 -44.3779 22.4355 53.6356 -11.4649 53.6355 14.718 GPRESSAVG: 2957000 23.1436 -43.8434 -10.5816 -42.3981 22.7156 54.9368 -12.951 50.3114 14.8417 TIMING: 2957000 CPU: 9236.15, 0.00315353/step Wall: 9236.15, 0.00315353/step, 1.78963 hours remaining, 234.035156 MB of memory in use. ENERGY: 2957000 3961.5040 20365.5260 14513.1994 246.6057 -203125.3957 2606.3312 0.0000 0.0000 52175.2319 -109256.9975 299.8518 -161432.2294 -108891.9912 299.6705 37.8166 61.7523 761371.1909 20.1999 20.2336 PRESSURE: 2957200 -225.961 49.5821 -100.791 49.5824 -176.926 141.787 -100.79 141.786 -1038.88 GPRESSURE: 2957200 -236.787 104.141 -88.4937 62.8677 -124.241 81.4868 -123.671 109.185 -992.246 PRESSAVG: 2957200 19.3559 -43.2485 0.389367 -43.2486 21.1765 1.79378 0.389368 1.79372 15.1809 GPRESSAVG: 2957200 18.342 -43.0299 -0.719775 -43.0168 21.1206 3.08733 1.76915 2.45295 15.9512 TIMING: 2957200 CPU: 9236.78, 0.00315317/step Wall: 9236.78, 0.00315317/step, 1.78925 hours remaining, 234.035156 MB of memory in use. ENERGY: 2957200 4066.6417 20392.3151 14428.9791 250.5677 -202866.6397 2409.2824 0.0000 0.0000 52104.0991 -109214.7547 299.4430 -161318.8538 -108860.0266 299.6820 -480.5877 -451.0912 761551.4647 18.5711 18.4713 PRESSURE: 2957400 197.569 -62.101 -76.7899 -62.1005 -369.85 48.655 -76.7901 48.6547 240.107 GPRESSURE: 2957400 245.142 -92.4028 -38.3535 -75.3183 -259.925 -47.8338 13.9987 31.4896 179.463 PRESSAVG: 2957400 -79.4574 25.5969 49.643 25.5969 23.4321 31.7697 49.643 31.7697 -0.803211 GPRESSAVG: 2957400 -79.2593 25.592 49.2475 24.431 23.8342 30.5083 50.3079 32.6691 -1.78157 TIMING: 2957400 CPU: 9237.41, 0.00312634/step Wall: 9237.41, 0.00312634/step, 1.77385 hours remaining, 234.035156 MB of memory in use. ENERGY: 2957400 4038.0443 20323.0371 14417.2129 246.9213 -203032.1412 2779.9069 0.0000 0.0000 51970.9601 -109256.0586 298.6778 -161227.0187 -108883.9141 299.5214 22.6087 54.8932 761711.7133 -18.9429 -19.0689 PRESSURE: 2957600 -12.8067 -191.499 135.697 -191.499 -60.8731 -46.1083 135.697 -46.109 457.753 GPRESSURE: 2957600 79.5173 -204.065 98.6738 -100.912 -15.3495 -19.0778 150.111 16.7858 414.171 PRESSAVG: 2957600 -2.61915 24.791 14.3206 24.791 8.25526 -6.74065 14.3206 -6.74062 14.0471 GPRESSAVG: 2957600 -1.24638 24.6889 12.9962 24.8912 6.74819 -5.61223 14.6291 -7.90303 13.9256 TIMING: 2957600 CPU: 9238.03, 0.00313152/step Wall: 9238.03, 0.00313152/step, 1.77661 hours remaining, 234.035156 MB of memory in use. ENERGY: 2957600 4000.5177 20406.5548 14401.6637 251.6257 -203002.8951 2393.1712 0.0000 0.0000 52330.6916 -109218.6703 300.7452 -161549.3619 -108865.2268 299.1821 128.0244 159.4461 761819.6469 6.5611 6.4758 PRESSURE: 2957800 190.407 -42.2344 -173.795 -42.2349 -77.1803 -22.5804 -173.795 -22.5799 104.524 GPRESSURE: 2957800 170.153 -46.3677 -193.061 -38.6651 24.5919 46.8525 -185.357 0.288295 117.046 PRESSAVG: 2957800 -7.75824 36.4021 18.5189 36.4021 -10.2084 -13.7866 18.5188 -13.7866 -12.0287 GPRESSAVG: 2957800 -9.25955 36.1764 20.2112 36.6388 -9.00313 -15.2282 17.3204 -12.9653 -11.8378 TIMING: 2957800 CPU: 9238.66, 0.00312053/step Wall: 9238.66, 0.00312053/step, 1.77021 hours remaining, 234.035156 MB of memory in use. ENERGY: 2957800 3914.0804 20648.9882 14375.5912 274.6676 -203341.2499 2813.6416 0.0000 0.0000 52091.2030 -109223.0779 299.3689 -161314.2809 -108854.4811 300.0129 72.5836 103.9304 761555.6711 -9.9984 -10.0335 PRESSURE: 2958000 13.2634 -210.97 -2.4601 -210.971 100.003 299.901 -2.46008 299.903 337.911 GPRESSURE: 2958000 110.163 -253.697 -83.131 -97.2236 195.466 313.801 -10.1516 196.786 259.983 PRESSAVG: 2958000 33.7376 13.3155 -15.498 13.3154 -23.9146 -1.21287 -15.498 -1.21279 12.3517 GPRESSAVG: 2958000 34.4759 12.473 -17.1555 12.344 -24.153 0.743263 -14.7104 -2.49205 11.9299 TIMING: 2958000 CPU: 9239.28, 0.00313092/step Wall: 9239.28, 0.00313092/step, 1.77593 hours remaining, 234.035156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2958000 3994.0821 20433.4388 14385.4534 242.5998 -203421.9843 3013.8062 0.0000 0.0000 52198.8741 -109153.7299 299.9876 -161352.6040 -108785.5803 300.1103 150.3925 188.5375 762403.9631 7.3915 7.4176 PRESSURE: 2958200 -85.5253 89.301 24.2229 89.301 -170.458 113.727 24.2245 113.725 163.422 GPRESSURE: 2958200 -68.2553 160.057 -15.9379 89.6116 -130.508 74.2491 112.793 -19.697 206.215 PRESSAVG: 2958200 -3.28568 -25.8669 -46.3085 -25.8669 -2.17208 -12.4793 -46.3085 -12.4794 -14.6481 GPRESSAVG: 2958200 -1.67995 -23.846 -46.6371 -26.6788 -4.22518 -12.9089 -45.192 -13.7756 -14.3202 TIMING: 2958200 CPU: 9239.91, 0.00314538/step Wall: 9239.91, 0.00314538/step, 1.78395 hours remaining, 234.035156 MB of memory in use. ENERGY: 2958200 3983.0698 20512.0476 14467.8430 256.2541 -202836.4313 2448.4059 0.0000 0.0000 51907.9161 -109260.8946 298.3155 -161168.8108 -108897.2976 299.1728 -30.8536 2.4839 761959.0976 -6.7019 -6.7418 PRESSURE: 2958400 -349.596 -102.871 -5.72653 -102.871 28.5275 -43.1471 -5.72596 -43.1483 37.2668 GPRESSURE: 2958400 -293.893 -142.06 -20.0043 87.0907 33.0483 -45.1576 -38.2164 111.911 61.5088 PRESSAVG: 2958400 -28.1833 3.20827 -71.6386 3.20822 29.7631 -46.4829 -71.6386 -46.4828 10.894 GPRESSAVG: 2958400 -29.2818 0.858988 -70.8445 5.88371 30.8004 -47.3493 -73.7468 -43.1927 10.9751 TIMING: 2958400 CPU: 9240.54, 0.00314382/step Wall: 9240.54, 0.00314382/step, 1.7829 hours remaining, 234.035156 MB of memory in use. ENERGY: 2958400 4017.0942 20470.0138 14464.3445 248.5115 -203184.6838 2371.5074 0.0000 0.0000 52046.0173 -109567.1952 299.1092 -161613.2124 -109213.8838 298.8845 -94.6004 -66.4452 760040.1913 4.1579 4.1646 PRESSURE: 2958600 -559.786 84.6208 -32.8567 84.6211 -424.365 169.7 -32.8558 169.7 -726.355 GPRESSURE: 2958600 -519.492 13.2673 50.5265 4.16158 -398.373 196.536 48.5572 162.987 -714.983 PRESSAVG: 2958600 -78.6821 4.54425 4.06711 4.54425 71.0365 -30.8315 4.06702 -30.8315 -22.5131 GPRESSAVG: 2958600 -78.9421 5.61945 4.44722 1.99933 71.7326 -30.2524 4.10192 -32.2027 -23.0262 TIMING: 2958600 CPU: 9241.17, 0.00314883/step Wall: 9241.17, 0.00314883/step, 1.78556 hours remaining, 234.035156 MB of memory in use. ENERGY: 2958600 4219.5019 20664.8862 14430.5381 220.6406 -203274.2677 2332.7766 0.0000 0.0000 52021.7386 -109384.1856 298.9696 -161405.9242 -109022.5279 299.8503 -570.1684 -544.2826 762709.3961 -10.0529 -10.0786 PRESSURE: 2958800 40.6488 101.609 -39.9681 101.609 -145.404 -53.3977 -39.9684 -53.3988 153.466 GPRESSURE: 2958800 141.381 -3.77152 -133.975 72.4987 -174.341 -45.0932 65.8771 -45.236 172.173 PRESSAVG: 2958800 -16.5543 16.8768 31.0485 16.8768 39.73 -8.43869 31.0486 -8.43865 19.5767 GPRESSAVG: 2958800 -17.4703 15.4835 32.5109 20.3737 39.6694 -7.95159 33.4446 -7.16278 20.3053 TIMING: 2958800 CPU: 9241.8, 0.00313851/step Wall: 9241.8, 0.00313851/step, 1.77954 hours remaining, 234.035156 MB of memory in use. ENERGY: 2958800 4050.4023 20648.3140 14451.6267 245.6388 -203438.4056 2557.5157 0.0000 0.0000 52169.9112 -109314.9969 299.8212 -161484.9081 -108958.3193 299.6084 16.2370 46.4042 761970.6952 14.2508 14.1681 PRESSURE: 2959000 -275.31 -36.3922 248.426 -36.3926 281.345 23.2223 248.426 23.2222 222.196 GPRESSURE: 2959000 -146.105 -83.7773 226.784 -102.26 300.699 -56.6821 158.662 118.884 150.323 PRESSAVG: 2959000 -15.1817 -2.70245 -12.4485 -2.70237 16.2561 0.894922 -12.4485 0.894936 5.30934 GPRESSAVG: 2959000 -15.2266 -0.973496 -14.7989 -6.44974 15.7104 -0.90487 -13.3077 0.373109 5.22833 TIMING: 2959000 CPU: 9242.43, 0.00314198/step Wall: 9242.43, 0.00314198/step, 1.78133 hours remaining, 234.035156 MB of memory in use. ENERGY: 2959000 4023.5748 20334.5342 14459.0456 239.0066 -203331.5045 2705.0051 0.0000 0.0000 52140.6953 -109429.6429 299.6533 -161570.3382 -109062.1204 299.1632 76.0773 101.6388 761450.4576 2.1279 1.9040 PRESSURE: 2959200 -107.933 -104.558 198.165 -104.558 -318.777 -26.6856 198.166 -26.6864 170.703 GPRESSURE: 2959200 -122.44 -72.6894 113.123 -21.3385 -223.673 -81.9845 141.437 9.25101 170.913 PRESSAVG: 2959200 -56.6386 -10.4758 36.0986 -10.4758 19.7395 24.7347 36.0986 24.7348 13.3983 GPRESSAVG: 2959200 -57.8214 -10.2683 36.5662 -7.99351 19.8248 24.876 34.6907 24.4815 14.0132 TIMING: 2959200 CPU: 9243.06, 0.00314776/step Wall: 9243.06, 0.00314776/step, 1.78443 hours remaining, 234.035156 MB of memory in use. ENERGY: 2959200 4007.7199 20676.3560 14432.8870 247.5450 -202859.0708 2264.3163 0.0000 0.0000 51709.9798 -109520.2668 297.1780 -161230.2466 -109162.9645 298.9976 -85.3359 -58.3999 761630.8179 -7.8336 -7.9945 PRESSURE: 2959400 28.6999 -301.108 166.683 -301.108 -301.804 7.41499 166.684 7.41573 -542.57 GPRESSURE: 2959400 138.636 -169.382 158.749 -228.74 -332.797 -57.3706 216.22 57.6948 -526.247 PRESSAVG: 2959400 45.2481 -33.2083 26.5818 -33.2083 -18.8558 -7.13887 26.5818 -7.13898 -19.7804 GPRESSAVG: 2959400 46.7157 -33.9025 26.8529 -32.476 -18.7293 -6.42803 27.6492 -6.80125 -20.9254 TIMING: 2959400 CPU: 9243.69, 0.00317764/step Wall: 9243.69, 0.00317764/step, 1.80119 hours remaining, 234.035156 MB of memory in use. ENERGY: 2959400 4039.4965 20492.9874 14450.5866 251.3049 -203017.7723 2342.8439 0.0000 0.0000 51933.6817 -109506.8713 298.4636 -161440.5530 -109142.1983 299.0504 -271.8912 -240.1362 761581.2553 2.2039 2.3537 PRESSURE: 2959600 -241.41 -17.1929 -55.7773 -17.1925 11.2699 -271.466 -55.7772 -271.467 -72.8088 GPRESSURE: 2959600 -250.683 -81.7715 5.44925 -103.961 27.5834 -266.551 -138.065 -312.284 -16.8813 PRESSAVG: 2959600 -14.5617 3.05371 1.43775 3.05369 32.7573 -24.5961 1.43778 -24.596 13.0258 GPRESSAVG: 2959600 -14.9333 2.92104 1.85058 1.8685 31.1223 -23.7219 2.15776 -24.439 14.2414 TIMING: 2959600 CPU: 9244.32, 0.00313757/step Wall: 9244.32, 0.00313757/step, 1.77831 hours remaining, 234.035156 MB of memory in use. ENERGY: 2959600 3991.5361 20541.1671 14373.3738 250.7464 -203203.0056 2612.2482 0.0000 0.0000 51947.5509 -109486.3832 298.5433 -161433.9341 -109111.4785 298.9688 -100.9828 -79.9937 762927.5411 10.4072 10.1435 PRESSURE: 2959800 -416.778 -208.486 80.6125 -208.486 208.936 149.93 80.6128 149.93 -290.612 GPRESSURE: 2959800 -381.924 -71.0115 103.904 -168.435 206.69 171.099 50.2583 -52.729 -237.658 PRESSAVG: 2959800 -86.273 -34.7665 -5.50471 -34.7665 30.092 -66.3656 -5.50475 -66.3656 7.06284 GPRESSAVG: 2959800 -87.462 -34.5892 -6.90647 -33.7819 32.3877 -67.1502 -5.98084 -68.1344 6.14658 TIMING: 2959800 CPU: 9244.95, 0.00313173/step Wall: 9244.95, 0.00313173/step, 1.77482 hours remaining, 234.035156 MB of memory in use. ENERGY: 2959800 3996.9022 20476.9024 14441.4301 268.5848 -203405.3789 2559.2124 0.0000 0.0000 52049.0642 -109613.2829 299.1267 -161662.3471 -109252.9997 298.8585 -166.1513 -137.6304 761655.5403 -16.3727 -16.3093 PRESSURE: 2960000 189.902 21.8558 -66.074 21.8568 82.9768 -158.501 -66.0741 -158.5 397.011 GPRESSURE: 2960000 264.298 -17.866 -16.2136 9.15905 132.115 -293.978 -39.9538 -155.633 375.047 PRESSAVG: 2960000 -18.5316 -42.8808 -35.0675 -42.8808 -30.9017 20.5891 -35.0675 20.5891 -18.7515 GPRESSAVG: 2960000 -17.0315 -40.6753 -33.8002 -44.4904 -32.7051 20.0749 -35.7847 22.3042 -18.3845 TIMING: 2960000 CPU: 9245.57, 0.00313605/step Wall: 9245.57, 0.00313605/step, 1.7771 hours remaining, 234.035156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2960000 3997.9500 20454.3617 14435.4692 243.9665 -203236.8833 2528.4952 0.0000 0.0000 52211.3790 -109365.2617 300.0595 -161576.6407 -108994.3103 299.1385 223.2966 257.1531 759711.5600 -22.7283 -22.7070 PRESSURE: 2960200 -103.451 58.9487 -131.144 58.9491 -267.825 -331.608 -131.144 -331.609 -217.347 GPRESSURE: 2960200 -120.241 45.2633 -88.4378 65.1516 -168.855 -226.936 -134.302 -237.54 -197.861 PRESSAVG: 2960200 10.0814 -5.69977 -37.4297 -5.69975 -4.91651 -49.4726 -37.4296 -49.4726 26.0008 GPRESSAVG: 2960200 8.68034 -7.7985 -37.8589 -4.9199 -4.18845 -49.2461 -35.4671 -47.3939 26.6782 TIMING: 2960200 CPU: 9246.2, 0.00313942/step Wall: 9246.2, 0.00313942/step, 1.77883 hours remaining, 234.035156 MB of memory in use. ENERGY: 2960200 4039.5564 20647.2459 14429.2536 223.9732 -203336.2637 2385.8283 0.0000 0.0000 52393.0993 -109217.3069 301.1039 -161610.4063 -108849.2332 300.3036 -196.2073 -162.3189 760464.4342 10.3886 10.3900 LDB: ============= START OF LOAD BALANCING ============== 9258.68 LDB: ============== END OF LOAD BALANCING =============== 9258.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9258.68 LDB: ============= START OF LOAD BALANCING ============== 9259 LDB: Largest compute 7007 load 0.029130 is 14.9% of average load 0.195068 LDB: Average compute 0.004361 is 2.2% of average load 0.195068 LDB: TIME 9259 LOAD: AVG 0.195068 MAX 0.216577 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.523 MB LDB: TIME 9259 LOAD: AVG 0.195068 MAX 0.216577 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.523 MB LDB: TIME 9259 LOAD: AVG 0.195068 MAX 0.216577 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.523 MB LDB: ============== END OF LOAD BALANCING =============== 9259 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9259.01 PRESSURE: 2960400 -43.1605 30.7038 139.482 30.7035 -190.82 180.347 139.482 180.345 148.403 GPRESSURE: 2960400 -8.61152 64.7064 142.474 -50.0491 -126.611 -11.5495 69.5039 287.853 134.581 PRESSAVG: 2960400 -42.5607 -17.1271 -35.9182 -17.1271 25.5803 -63.0509 -35.9182 -63.051 9.66793 GPRESSAVG: 2960400 -41.3043 -16.7343 -34.8132 -16.2427 26.3412 -65.1274 -39.8787 -64.1988 8.60599 TIMING: 2960400 CPU: 9246.84, 0.00320663/step Wall: 9246.84, 0.00320663/step, 1.81674 hours remaining, 234.039062 MB of memory in use. ENERGY: 2960400 3987.6080 20511.1769 14566.9531 258.6098 -202907.9395 2423.1073 0.0000 0.0000 52158.7691 -109001.7154 299.7572 -161160.4844 -108632.9303 300.1861 -28.5259 -0.2138 760436.0890 -2.4375 -2.1190 PRESSURE: 2960600 176.26 -71.637 73.6695 -71.6375 -259.127 14.4919 73.669 14.4922 -272.406 GPRESSURE: 2960600 229.67 -13.9121 193.055 -18.9697 -257.969 38.2547 88.2179 -44.7034 -257.522 PRESSAVG: 2960600 -14.7205 -12.6577 -26.6496 -12.6578 -42.9347 7.2308 -26.6497 7.23074 -9.71868 GPRESSAVG: 2960600 -14.5367 -11.908 -27.6218 -13.6227 -42.8929 12.0081 -24.361 5.1362 -9.59341 TIMING: 2960600 CPU: 9247.47, 0.00314458/step Wall: 9247.47, 0.00314458/step, 1.78141 hours remaining, 234.238281 MB of memory in use. ENERGY: 2960600 4025.0778 20559.1227 14501.8448 249.1974 -202933.1744 2523.6747 0.0000 0.0000 52001.1861 -109073.0709 298.8515 -161074.2570 -108712.7714 299.9076 -118.4245 -95.2736 761676.1433 -22.4580 -22.3410 PRESSURE: 2960800 -57.3513 42.7082 76.381 42.7079 -155.979 -164.96 76.381 -164.961 -71.6323 GPRESSURE: 2960800 -42.4605 104.195 63.8675 5.17496 -148.344 -159.276 165.717 -252.726 -0.885699 PRESSAVG: 2960800 43.1626 -21.2591 11.7677 -21.2591 -60.9634 22.3402 11.7678 22.3401 -0.0256523 GPRESSAVG: 2960800 43.0694 -21.7369 10.345 -21.6743 -60.7147 21.7755 12.1567 23.1363 -0.0434208 TIMING: 2960800 CPU: 9248.1, 0.00313557/step Wall: 9248.1, 0.00313557/step, 1.77613 hours remaining, 234.238281 MB of memory in use. ENERGY: 2960800 4046.5931 20403.3272 14463.1356 249.7947 -202960.0891 2544.5343 0.0000 0.0000 52352.5356 -108900.1686 300.8707 -161252.7042 -108546.0591 300.4309 -94.9877 -63.8968 762804.9053 -5.9421 -5.8962 PRESSURE: 2961000 -144.072 135 -44.8091 135 47.5857 98.504 -44.8089 98.5045 86.7341 GPRESSURE: 2961000 -37.5235 41.5423 -87.7724 113.338 5.59103 123.567 -61.0023 180.682 114.745 PRESSAVG: 2961000 -73.6601 10.6072 41.076 10.6072 14.7165 -0.505149 41.0761 -0.505108 8.33814 GPRESSAVG: 2961000 -72.3872 8.93343 42.0473 12.0282 13.5548 -1.03908 41.2516 0.521274 8.8041 TIMING: 2961000 CPU: 9248.73, 0.00313477/step Wall: 9248.73, 0.00313477/step, 1.7755 hours remaining, 234.238281 MB of memory in use. ENERGY: 2961000 4016.3169 20801.6620 14389.2684 241.6474 -203433.6625 2799.3905 0.0000 0.0000 52267.3948 -108917.9825 300.3814 -161185.3773 -108551.9616 300.2089 -3.2507 27.6041 762451.8887 -16.8685 -16.6761 PRESSURE: 2961200 -576.583 -11.0235 47.7072 -11.0226 3.52491 164.753 47.7065 164.752 -407.582 GPRESSURE: 2961200 -527.527 25.237 116.571 -5.96719 69.5799 219.904 0.155302 157.286 -451.473 PRESSAVG: 2961200 34.2388 -5.45402 0.212863 -5.45402 -29.5107 53.3525 0.212852 53.3525 -14.1373 GPRESSAVG: 2961200 34.0338 -4.85904 -0.0619741 -4.97604 -27.9666 54.0902 1.50599 51.5851 -15.7887 TIMING: 2961200 CPU: 9249.35, 0.00312499/step Wall: 9249.35, 0.00312499/step, 1.76978 hours remaining, 234.238281 MB of memory in use. ENERGY: 2961200 3928.1864 20663.9970 14367.4958 249.0785 -202932.4734 2439.9250 0.0000 0.0000 52247.4971 -109036.2936 300.2671 -161283.7907 -108672.9344 300.4894 -326.8803 -303.1400 762918.4421 -3.1364 -3.2405 PRESSURE: 2961400 56.2426 28.2732 66.9229 28.2721 193.205 -131.577 66.9229 -131.577 -288.158 GPRESSURE: 2961400 51.4195 -10.7874 -23.29 -52.0117 221.551 -115.072 44.756 -53.2848 -222.817 PRESSAVG: 2961400 -83.0453 -22.6753 -14.351 -22.6753 96.73 6.6203 -14.351 6.62033 15.0873 GPRESSAVG: 2961400 -83.6573 -23.1434 -14.0213 -22.3161 95.7873 5.79554 -17.7983 9.07139 16.0788 TIMING: 2961400 CPU: 9249.98, 0.00313726/step Wall: 9249.98, 0.00313726/step, 1.77656 hours remaining, 234.238281 MB of memory in use. ENERGY: 2961400 4027.2625 20496.1887 14429.3428 238.4482 -202857.6183 2532.7556 0.0000 0.0000 52062.1369 -109071.4835 299.2018 -161133.6204 -108692.9912 300.0525 -12.9036 16.7178 763515.4189 9.5907 9.4029 PRESSURE: 2961600 -200.962 -83.4899 -27.7839 -83.4903 -138.635 -91.4576 -27.7839 -91.4576 199.98 GPRESSURE: 2961600 -114.579 -21.7218 -39.1222 5.51669 -148.791 -97.0103 1.87614 -52.5387 215.212 PRESSAVG: 2961600 -105.696 -10.9916 -8.39365 -10.9916 53.3189 26.6413 -8.39364 26.6413 1.20093 GPRESSAVG: 2961600 -105.361 -9.73096 -8.71482 -12.9692 52.8674 27.3754 -5.54318 26.3022 1.4693 TIMING: 2961600 CPU: 9250.61, 0.0031397/step Wall: 9250.61, 0.0031397/step, 1.77777 hours remaining, 234.238281 MB of memory in use. ENERGY: 2961600 3938.9631 20556.1569 14345.6580 243.1936 -202858.5385 2751.7209 0.0000 0.0000 51791.1203 -109231.7258 297.6443 -161022.8461 -108876.0108 299.6207 -46.5392 -16.0525 762715.9336 -17.0587 -17.0080 PRESSURE: 2961800 36.6046 -31.9924 -149.322 -31.9931 209.557 -142.34 -149.322 -142.341 207.766 GPRESSURE: 2961800 118.43 -158.856 -169.874 -66.809 193.035 -141.283 -82.1066 13.8336 207.08 PRESSAVG: 2961800 -16.1637 -17.6836 -26.1341 -17.6836 32.5292 9.16705 -26.1341 9.16697 -13.6917 GPRESSAVG: 2961800 -15.3279 -18.3664 -25.6656 -16.306 32.5518 7.52387 -27.7941 8.41163 -14.5413 TIMING: 2961800 CPU: 9251.23, 0.0031222/step Wall: 9251.23, 0.0031222/step, 1.76769 hours remaining, 234.238281 MB of memory in use. ENERGY: 2961800 3971.7011 20593.7133 14423.4590 237.5415 -202867.8688 2520.3140 0.0000 0.0000 51725.7555 -109395.3845 297.2686 -161121.1400 -109046.8543 299.3434 151.3092 172.8482 762610.9261 0.8913 0.8942 PRESSURE: 2962000 280.436 160.386 -70.7927 160.386 46.8093 157.716 -70.7933 157.716 297.937 GPRESSURE: 2962000 316.688 -26.0086 -199.295 172.712 50.1223 252.359 -49.5397 90.5237 341.652 PRESSAVG: 2962000 39.0249 32.2639 -30.6165 32.264 -14.5217 -2.35512 -30.6165 -2.35504 -7.13943 GPRESSAVG: 2962000 38.7106 30.7846 -30.7442 31.2619 -15.3861 -1.60622 -30.722 -1.679 -5.93043 TIMING: 2962000 CPU: 9251.86, 0.00313621/step Wall: 9251.86, 0.00313621/step, 1.77544 hours remaining, 234.238281 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: 2962000 3971.2184 20449.3735 14385.3129 252.5435 -202962.6738 2683.3075 0.0000 0.0000 51913.4588 -109307.4591 298.3474 -161220.9180 -108943.2649 299.0765 208.3943 236.1539 761273.6911 5.7879 5.7981 PRESSURE: 2962200 125.363 22.4304 -170.149 22.4319 -52.4673 179.599 -170.15 179.598 -34.644 GPRESSURE: 2962200 108.035 5.8188 -93.7676 137.592 19.3701 162.787 -142.643 116.088 -9.94122 PRESSAVG: 2962200 -0.767732 49.2118 20.6354 49.2118 8.78054 15.5349 20.6354 15.5349 -6.92738 GPRESSAVG: 2962200 -0.712724 49.9935 21.0076 50.0012 10.1596 16.2715 23.0642 14.8611 -8.51951 TIMING: 2962200 CPU: 9252.49, 0.00313616/step Wall: 9252.49, 0.00313616/step, 1.77524 hours remaining, 234.238281 MB of memory in use. ENERGY: 2962200 3935.6459 20464.1029 14503.1901 257.0213 -202809.8687 2265.2015 0.0000 0.0000 52036.3482 -109348.3587 299.0536 -161384.7069 -108976.9333 298.9128 12.7505 39.1545 762944.1799 0.3618 0.3091 PRESSURE: 2962400 -108.37 27.5038 226.564 27.5043 3.60182 -247.396 226.564 -247.397 262.058 GPRESSURE: 2962400 -66.0936 62.5516 252.32 -64.4608 198.852 -258.983 14.9978 -131.499 122.068 PRESSAVG: 2962400 -12.8266 -49.5566 3.28109 -49.5567 43.381 40.9655 3.28111 40.9655 11.5913 GPRESSAVG: 2962400 -12.8664 -48.3816 2.46339 -49.2853 43.2275 40.8485 1.31303 41.3614 12.0559 TIMING: 2962400 CPU: 9253.11, 0.00314229/step Wall: 9253.11, 0.00314229/step, 1.77853 hours remaining, 234.238281 MB of memory in use. ENERGY: 2962400 3953.3551 20420.1095 14388.7475 239.0864 -203305.1743 2573.8306 0.0000 0.0000 52214.0283 -109516.0169 300.0747 -161730.0452 -109158.4265 299.0626 52.4300 84.9422 761290.5574 14.0486 14.1390 PRESSURE: 2962600 152.962 -280.819 -31.947 -280.821 281.759 259.818 -31.9471 259.818 -219.529 GPRESSURE: 2962600 153.71 -144.797 -100.323 -255.682 352.891 298.674 141.38 142.918 -197.811 PRESSAVG: 2962600 -19.3702 -9.64563 18.4924 -9.64564 21.0806 29.0189 18.4924 29.0189 3.53117 GPRESSAVG: 2962600 -19.4315 -9.54622 18.6058 -10.2986 20.8452 30.3074 18.6948 28.8897 3.78639 TIMING: 2962600 CPU: 9253.74, 0.00314881/step Wall: 9253.74, 0.00314881/step, 1.78205 hours remaining, 234.238281 MB of memory in use. ENERGY: 2962600 4015.0023 20456.0755 14374.2272 260.9418 -203551.0665 2691.1546 0.0000 0.0000 52204.0018 -109549.6633 300.0171 -161753.6651 -109181.0370 298.6622 71.7307 102.9299 760878.8078 1.7472 1.7334 PRESSURE: 2962800 -250.288 124.473 -299.512 124.473 -76.749 -256.569 -299.513 -256.569 -134.3 GPRESSURE: 2962800 -340.153 80.5927 -333.613 77.8036 27.8301 -187.667 -165.407 -302.707 -106.935 PRESSAVG: 2962800 -55.1022 -26.7678 13.3751 -26.7678 77.1754 39.4929 13.3751 39.493 11.8943 GPRESSAVG: 2962800 -55.4212 -27.595 11.8613 -27.1853 77.4742 36.799 16.3365 40.49 11.8944 TIMING: 2962800 CPU: 9254.37, 0.00313583/step Wall: 9254.37, 0.00313583/step, 1.77453 hours remaining, 234.238281 MB of memory in use. ENERGY: 2962800 3967.9648 20335.9880 14417.4506 237.2018 -203048.0933 2192.7271 0.0000 0.0000 52320.8348 -109575.9263 300.6886 -161896.7610 -109215.8529 298.9940 -153.7788 -139.7526 761786.0845 11.3225 11.3158 PRESSURE: 2963000 171.515 17.0543 132.883 17.0536 67.2972 97.7567 132.883 97.7568 106.034 GPRESSURE: 2963000 225.232 25.0824 162.935 -46.1593 84.8247 72.9832 100.966 131.219 116.872 PRESSAVG: 2963000 -0.0238943 47.2802 -7.96878 47.2802 31.9845 14.3981 -7.96876 14.3981 -10.8244 GPRESSAVG: 2963000 2.13259 48.0354 -6.51933 46.8322 31.0763 15.735 -11.1856 15.0262 -11.4642 TIMING: 2963000 CPU: 9255, 0.00314485/step Wall: 9255, 0.00314485/step, 1.77946 hours remaining, 234.238281 MB of memory in use. ENERGY: 2963000 3918.2258 20594.7036 14367.1875 246.9437 -203360.7472 2698.3217 0.0000 0.0000 52176.2808 -109359.0841 299.8578 -161535.3649 -109000.9764 299.2856 114.9487 142.3094 762085.4060 7.0454 7.2482 PRESSURE: 2963200 -32.0361 69.1938 -32.9901 69.1938 20.344 -25.8439 -32.9906 -25.8434 156.969 GPRESSURE: 2963200 69.115 -16.0217 60.6856 132.807 99.5469 5.40038 44.8564 -151.509 76.0302 PRESSAVG: 2963200 -41.457 20.0047 -58.7264 20.0047 59.842 -41.7944 -58.7263 -41.7944 9.97674 GPRESSAVG: 2963200 -42.8554 19.1622 -59.22 20.5752 60.278 -40.2236 -55.5987 -43.9426 10.8285 TIMING: 2963200 CPU: 9255.63, 0.00314536/step Wall: 9255.63, 0.00314536/step, 1.77957 hours remaining, 234.238281 MB of memory in use. ENERGY: 2963200 4006.5658 20328.3005 14348.1324 236.5970 -203192.7119 2575.4798 0.0000 0.0000 52325.1690 -109372.4674 300.7135 -161697.6364 -109009.3259 299.4014 48.4257 81.5640 763179.3408 9.4539 9.4170 PRESSURE: 2963400 -305.618 -80.9333 174.906 -80.9331 -218.753 72.4038 174.906 72.4037 180.646 GPRESSURE: 2963400 -280.55 -31.6485 232.367 -147.041 -128.272 30.5848 66.3095 24.9637 157.807 PRESSAVG: 2963400 -45.2598 -25.3542 27.7209 -25.3543 37.3857 50.3278 27.7209 50.3278 -9.60116 GPRESSAVG: 2963400 -45.0635 -24.2299 29.7972 -25.2256 36.9783 49.8362 23.9396 49.7717 -9.84616 TIMING: 2963400 CPU: 9256.26, 0.00315903/step Wall: 9256.26, 0.00315903/step, 1.78713 hours remaining, 234.238281 MB of memory in use. ENERGY: 2963400 4024.6105 20503.9781 14407.5507 243.1646 -203006.7810 2465.6795 0.0000 0.0000 52217.4136 -109144.3841 300.0942 -161361.7977 -108775.6945 299.0644 -114.5748 -83.6717 762343.6924 -5.8251 -5.9771 PRESSURE: 2963600 297.003 7.24111 -88.494 7.24161 -93.7569 -179.47 -88.4929 -179.47 84.5906 GPRESSURE: 2963600 246.377 82.4119 -115.534 -2.48834 -20.2635 -212.104 -129.49 -114.034 131.457 PRESSAVG: 2963600 52.4351 -31.1882 -45.1859 -31.1881 -27.388 45.0131 -45.186 45.013 -10.0666 GPRESSAVG: 2963600 52.1155 -32.3565 -48.6144 -30.3328 -27.4996 44.8822 -43.3075 45.5772 -9.45777 TIMING: 2963600 CPU: 9256.89, 0.0031459/step Wall: 9256.89, 0.0031459/step, 1.77953 hours remaining, 234.238281 MB of memory in use. ENERGY: 2963600 3957.0539 20397.8041 14447.7706 257.8963 -202845.6910 2313.9263 0.0000 0.0000 52157.7464 -109313.4934 299.7513 -161471.2398 -108953.9838 299.7012 95.9456 119.1902 760193.8176 4.9935 5.0527 PRESSURE: 2963800 111.644 -126.365 -288.748 -126.365 287.144 -187.621 -288.748 -187.622 371.181 GPRESSURE: 2963800 101.474 -127.023 -211.017 -140.634 296.282 -140.095 -177.596 -214.428 455.218 PRESSAVG: 2963800 -13.1033 -10.3052 -29.1919 -10.3051 2.35299 14.5319 -29.1919 14.5319 -11.573 GPRESSAVG: 2963800 -13.5005 -9.26126 -28.4677 -12.2061 2.64434 14.6451 -27.6699 14.1827 -11.7918 TIMING: 2963800 CPU: 9257.52, 0.00313795/step Wall: 9257.52, 0.00313795/step, 1.77486 hours remaining, 234.238281 MB of memory in use. ENERGY: 2963800 3909.6283 20479.0467 14506.1946 253.6004 -202855.7812 2493.7207 0.0000 0.0000 51900.3677 -109313.2228 298.2721 -161213.5904 -108939.4724 299.5821 256.6563 284.3243 762962.1228 -7.4411 -7.5493 PRESSURE: 2964000 -423.937 19.5969 59.1415 19.5963 -245.546 -145.034 59.1417 -145.034 151.161 GPRESSURE: 2964000 -377.226 88.5383 80.974 125.176 -177.198 -157.521 -82.4814 23.309 108.375 PRESSAVG: 2964000 -15.8738 4.33204 -26.7192 4.33194 -38.2786 -46.6471 -26.7192 -46.647 19.3243 GPRESSAVG: 2964000 -15.5536 5.65474 -27.6134 4.75506 -37.7621 -48.0003 -26.8928 -45.3365 18.296 TIMING: 2964000 CPU: 9258.14, 0.00313068/step Wall: 9258.14, 0.00313068/step, 1.77057 hours remaining, 234.238281 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: 2964000 3964.0000 20430.7156 14432.5191 247.9279 -203023.9299 2479.0405 0.0000 0.0000 52012.4811 -109457.2458 298.9164 -161469.7269 -109092.3398 298.6990 -172.7738 -148.6833 762363.1905 -11.6094 -11.6732 PRESSURE: 2964200 -99.6416 111.842 -44.2591 111.841 -76.3657 -9.48711 -44.2596 -9.48729 -87.4866 GPRESSURE: 2964200 -10.8828 87.2474 -76.9852 107.772 -26.2323 -89.0147 -4.65183 -38.2888 -124.729 PRESSAVG: 2964200 15.7249 13.6677 -17.4567 13.6677 8.14541 26.0883 -17.4567 26.0882 -13.7228 GPRESSAVG: 2964200 15.0521 12.217 -15.95 15.491 7.69854 26.4687 -18.9939 26.8706 -12.1109 TIMING: 2964200 CPU: 9258.77, 0.00313408/step Wall: 9258.77, 0.00313408/step, 1.77232 hours remaining, 234.238281 MB of memory in use. ENERGY: 2964200 4082.7646 20514.2952 14437.1974 252.1420 -202880.9657 2205.0587 0.0000 0.0000 51988.9984 -109400.5093 298.7815 -161389.5077 -109044.7640 298.9051 -87.8313 -53.9481 760988.5853 3.3825 3.5466 LDB: ============= START OF LOAD BALANCING ============== 9271.25 LDB: ============== END OF LOAD BALANCING =============== 9271.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9271.25 LDB: ============= START OF LOAD BALANCING ============== 9271.56 LDB: Largest compute 7007 load 0.029524 is 15.1% of average load 0.195086 LDB: Average compute 0.004354 is 2.2% of average load 0.195086 LDB: TIME 9271.57 LOAD: AVG 0.195086 MAX 0.218953 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.824 MB LDB: TIME 9271.57 LOAD: AVG 0.195086 MAX 0.218953 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.027 MB LDB: TIME 9271.57 LOAD: AVG 0.195086 MAX 0.216343 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.027 MB LDB: ============== END OF LOAD BALANCING =============== 9271.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9271.58 PRESSURE: 2964400 -162.496 -168.77 50.5199 -168.77 -382.417 -67.1283 50.5198 -67.1275 -288.541 GPRESSURE: 2964400 -124.82 -186.384 23.6048 -157.112 -295.185 -56.3674 79.2309 64.8221 -316.422 PRESSAVG: 2964400 -20.578 -6.73756 8.14018 -6.73754 42.3509 23.2257 8.14015 23.2257 12.6454 GPRESSAVG: 2964400 -20.6425 -7.02647 8.17692 -10.4851 43.0835 23.5514 7.8593 23.1341 12.0349 TIMING: 2964400 CPU: 9259.41, 0.00319316/step Wall: 9259.41, 0.00319316/step, 1.80556 hours remaining, 234.765625 MB of memory in use. ENERGY: 2964400 4008.0894 20367.4495 14494.6498 250.6515 -202987.5969 2279.6809 0.0000 0.0000 51758.3354 -109828.7405 297.4559 -161587.0759 -109472.8235 298.3422 -277.8180 -245.4757 762701.3098 11.4728 11.4919 PRESSURE: 2964600 -148.581 68.7031 10.3687 68.7031 42.6893 112.077 10.3689 112.078 -399.383 GPRESSURE: 2964600 -82.5414 29.8462 13.9799 110.351 -19.1166 61.9729 -9.37856 10.9685 -329.247 PRESSAVG: 2964600 -14.8285 -13.7 39.5077 -13.7 6.78706 27.3119 39.5077 27.3119 3.48268 GPRESSAVG: 2964600 -12.1121 -15.1881 40.281 -11.836 5.07727 27.9879 40.1792 26.4893 2.90139 TIMING: 2964600 CPU: 9260.04, 0.00313014/step Wall: 9260.04, 0.00313014/step, 1.76974 hours remaining, 234.765625 MB of memory in use. ENERGY: 2964600 3939.4834 20542.5370 14524.6405 264.3272 -203429.4172 2554.4678 0.0000 0.0000 51935.5479 -109668.4133 298.4743 -161603.9612 -109316.5135 297.8589 -168.4250 -143.6349 764056.9529 -1.5196 -1.3778 PRESSURE: 2964800 -284.667 91.0356 133.996 91.0349 -205.787 -173.158 133.996 -173.159 -634.096 GPRESSURE: 2964800 -173.95 79.1519 21.6629 30.9024 -302.241 -160.611 121.843 -110.987 -554.637 PRESSAVG: 2964800 -39.0214 28.3687 -11.1604 28.3687 39.5053 -15.2931 -11.1604 -15.2932 -25.7849 GPRESSAVG: 2964800 -38.68 29.9668 -11.6081 28.4176 38.6327 -15.8801 -9.80158 -16.7484 -24.9246 TIMING: 2964800 CPU: 9260.66, 0.00313027/step Wall: 9260.66, 0.00313027/step, 1.76965 hours remaining, 234.765625 MB of memory in use. ENERGY: 2964800 3985.6428 20412.0593 14421.4102 238.7889 -203303.2290 2660.9336 0.0000 0.0000 52014.3185 -109570.0756 298.9270 -161584.3941 -109200.2859 298.6879 -374.8502 -343.6094 764467.6247 -8.4336 -8.3240 PRESSURE: 2965000 -11.6054 -77.2299 131.481 -77.2299 14.9223 177.293 131.482 177.292 0.0362975 GPRESSURE: 2965000 64.2434 -227.873 170.507 -105.438 -25.8893 172.721 16.8351 271.806 56.9114 PRESSAVG: 2965000 43.5594 36.9512 11.9974 36.9511 -15.7045 -10.4963 11.9974 -10.4964 9.86935 GPRESSAVG: 2965000 40.5117 34.7163 12.1755 37.8809 -13.4974 -11.4303 10.8382 -8.09733 10.1597 TIMING: 2965000 CPU: 9261.29, 0.00312485/step Wall: 9261.29, 0.00312485/step, 1.76641 hours remaining, 234.765625 MB of memory in use. ENERGY: 2965000 3887.9599 20391.8787 14485.1106 245.1435 -203463.3959 2774.4000 0.0000 0.0000 51983.5936 -109695.3096 298.7504 -161678.9032 -109317.4868 298.3788 1.1177 31.7552 762836.6175 12.5748 12.3913 PRESSURE: 2965200 -298.342 -227.847 -89.8371 -227.847 -217.878 -163.92 -89.8367 -163.92 -426.517 GPRESSURE: 2965200 -231.542 -225.588 -24.9092 -166.373 -124.293 -169.078 -9.68054 -100.074 -493.42 PRESSAVG: 2965200 -52.8338 -8.74059 12.7313 -8.74061 52.2792 1.83769 12.7313 1.83768 -24.2142 GPRESSAVG: 2965200 -52.5015 -6.23613 12.7295 -8.54064 52.1431 3.21403 11.9828 1.62296 -24.6261 TIMING: 2965200 CPU: 9261.91, 0.00312921/step Wall: 9261.91, 0.00312921/step, 1.7687 hours remaining, 234.765625 MB of memory in use. ENERGY: 2965200 3931.0034 20315.7940 14445.0520 251.0428 -203206.6170 2710.7762 0.0000 0.0000 51881.5539 -109671.3947 298.1640 -161552.9486 -109313.4204 298.7547 -314.2455 -283.0848 764125.5133 -8.2562 -8.3282 PRESSURE: 2965400 -278.49 7.49504 -31.1489 7.49513 -93.5026 -34.8657 -31.1493 -34.8662 267.036 GPRESSURE: 2965400 -196.348 -39.4793 -19.1827 171.772 -25.0748 34.3075 -74.1836 7.65078 191.225 PRESSAVG: 2965400 -30.4554 32.562 -5.58017 32.562 1.24358 -21.456 -5.58016 -21.456 15.6318 GPRESSAVG: 2965400 -30.2492 33.6959 -6.98906 31.6984 0.208143 -20.586 -6.27628 -21.6241 16.0468 TIMING: 2965400 CPU: 9262.54, 0.00313222/step Wall: 9262.54, 0.00313222/step, 1.77023 hours remaining, 234.765625 MB of memory in use. ENERGY: 2965400 3989.6289 20513.8299 14379.2122 239.4621 -203498.2020 2764.4579 0.0000 0.0000 51967.2101 -109644.4009 298.6563 -161611.6110 -109290.6154 298.5649 -34.9855 -10.0658 761355.9530 -4.5267 -4.6648 PRESSURE: 2965600 -45.4358 117.509 144.218 117.509 298.168 12.8133 144.218 12.8141 -29.9968 GPRESSURE: 2965600 -3.27884 166.59 210.957 151.378 288.761 -24.4494 221.594 -153.141 19.1713 PRESSAVG: 2965600 24.7168 23.3325 29.4485 23.3325 57.4098 10.9627 29.4484 10.9627 0.632443 GPRESSAVG: 2965600 24.445 20.5422 32.0208 24.1911 58.0873 10.2662 30.5715 7.88511 0.35354 TIMING: 2965600 CPU: 9263.17, 0.00313906/step Wall: 9263.17, 0.00313906/step, 1.77392 hours remaining, 234.765625 MB of memory in use. ENERGY: 2965600 3972.6507 20709.0916 14414.0247 257.5961 -203365.7266 2518.6971 0.0000 0.0000 52151.8574 -109341.8090 299.7174 -161493.6664 -108988.4039 299.0609 74.2451 101.5512 762049.8390 27.5864 27.6286 PRESSURE: 2965800 -19.2861 210.932 -15.2907 210.931 -247.002 160.051 -15.2905 160.051 -412.944 GPRESSURE: 2965800 26.9246 172.166 -25.0137 71.7811 -232.19 112.096 -46.0828 108.753 -360.5 PRESSAVG: 2965800 -12.3433 23.6552 -53.5308 23.6552 32.1526 -1.83894 -53.5309 -1.83898 -26.5624 GPRESSAVG: 2965800 -11.484 24.6853 -53.9322 21.2399 32.0315 -2.48071 -52.6663 1.09491 -26.4733 TIMING: 2965800 CPU: 9263.79, 0.00313448/step Wall: 9263.79, 0.00313448/step, 1.77116 hours remaining, 234.765625 MB of memory in use. ENERGY: 2965800 4009.2528 20440.1734 14485.9392 262.2415 -203087.7476 2349.0487 0.0000 0.0000 51997.2932 -109543.7987 298.8292 -161541.0919 -109181.0096 298.8302 -226.4107 -188.5885 762532.8223 -2.2510 -1.9753 PRESSURE: 2966000 130.713 114.951 130.374 114.952 -249.382 -22.502 130.374 -22.5026 113.335 GPRESSURE: 2966000 74.8774 18.3063 63.8812 219.183 -107.9 30.633 47.3264 -41.512 112.991 PRESSAVG: 2966000 -18.7293 13.1789 -35.5696 13.1789 35.8392 -26.4535 -35.5696 -26.4535 -1.81272 GPRESSAVG: 2966000 -18.5917 15.0442 -34.789 15.7381 36.6643 -27.2122 -36.4983 -28.3026 -2.9204 TIMING: 2966000 CPU: 9264.42, 0.00313959/step Wall: 9264.42, 0.00313959/step, 1.77387 hours remaining, 234.765625 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: 2966000 3998.3335 20556.9616 14472.7024 254.7990 -203562.5774 2814.4004 0.0000 0.0000 52162.7210 -109302.6595 299.7799 -161465.3805 -108940.2976 299.0069 -1.7783 26.6562 762447.9612 5.0991 5.0507 PRESSURE: 2966200 -258.367 -37.9998 -151.562 -37.9998 -154.418 136.381 -151.562 136.381 -135.808 GPRESSURE: 2966200 -170.419 -76.3439 -157.265 -152.79 -183.466 68.0239 -92.067 90.7616 -97.2502 PRESSAVG: 2966200 -68.097 -6.46416 22.2409 -6.4642 39.1964 -1.12561 22.2409 -1.12556 5.13767 GPRESSAVG: 2966200 -68.1164 -8.63267 20.1568 -8.23888 38.8181 -1.38171 22.4519 -1.04841 5.54941 TIMING: 2966200 CPU: 9265.05, 0.00314272/step Wall: 9265.05, 0.00314272/step, 1.77546 hours remaining, 234.765625 MB of memory in use. ENERGY: 2966200 3995.8554 20534.3576 14484.1488 259.9650 -202842.9910 2446.5204 0.0000 0.0000 51877.0899 -109245.0538 298.1383 -161122.1437 -108887.3957 299.4390 -182.8643 -150.3784 763345.5373 -7.9210 -7.9163 PRESSURE: 2966400 -411.025 -84.0282 -196.553 -84.029 -49.8362 49.0264 -196.552 49.0256 37.2626 GPRESSURE: 2966400 -331.502 -63.7682 -255.321 -107.872 -85.1882 252.76 -90.9383 -4.05769 85.2638 PRESSAVG: 2966400 -25.9283 24.3835 -28.0663 24.3835 6.36449 33.7094 -28.0663 33.7095 9.08916 GPRESSAVG: 2966400 -26.7064 22.9366 -27.9724 26.0533 6.12905 35.547 -29.0093 34.0361 10.1629 TIMING: 2966400 CPU: 9265.67, 0.00311699/step Wall: 9265.67, 0.00311699/step, 1.76075 hours remaining, 234.765625 MB of memory in use. ENERGY: 2966400 3989.7034 20466.7240 14473.5335 247.7052 -202861.5994 2438.4204 0.0000 0.0000 52075.3507 -109170.1622 299.2778 -161245.5129 -108809.6763 300.0457 -141.1994 -110.4753 763085.8359 -3.4916 -3.4715 PRESSURE: 2966600 -60.6133 129.968 114.394 129.968 -108.53 70.535 114.394 70.5357 170.207 GPRESSURE: 2966600 -18.0802 151.719 90.9779 271.846 -23.1414 -66.04 174.918 41.034 112.8 PRESSAVG: 2966600 -16.121 22.3071 -26.3675 22.307 16.5766 4.17461 -26.3675 4.17461 -3.5151 GPRESSAVG: 2966600 -15.3809 26.5564 -25.7369 21.6394 16.5759 2.62769 -24.5767 4.58123 -4.08426 TIMING: 2966600 CPU: 9266.3, 0.00311661/step Wall: 9266.3, 0.00311661/step, 1.76036 hours remaining, 234.765625 MB of memory in use. ENERGY: 2966600 4060.9394 20455.8760 14493.1926 252.4326 -203071.1836 2602.3558 0.0000 0.0000 52204.9772 -109001.4100 300.0227 -161206.3872 -108642.2437 299.0606 0.3545 23.8595 763831.7564 -1.0198 -0.9631 PRESSURE: 2966800 -437.351 162.483 52.4553 162.482 -101.841 -119.774 52.4556 -119.773 -188.716 GPRESSURE: 2966800 -339.347 46.7823 106.592 157.3 -175.81 -101.467 -52.0543 -2.50338 -129.225 PRESSAVG: 2966800 -10.4747 58.6039 6.96519 58.6039 7.48108 -21.6585 6.96519 -21.6585 5.18717 GPRESSAVG: 2966800 -10.9575 56.5996 7.88444 59.3397 7.01227 -21.4524 4.26848 -20.85 5.79759 TIMING: 2966800 CPU: 9266.92, 0.0031224/step Wall: 9266.92, 0.0031224/step, 1.76346 hours remaining, 234.765625 MB of memory in use. ENERGY: 2966800 3933.6083 20600.3115 14427.8675 230.9504 -203009.8126 2561.0109 0.0000 0.0000 52194.2441 -109061.8200 299.9610 -161256.0641 -108687.8570 299.8148 -242.6358 -214.7939 764174.5037 0.7312 0.6174 PRESSURE: 2967000 -84.1345 133.234 98.5731 133.235 -128.084 -337.813 98.5725 -337.814 -121.429 GPRESSURE: 2967000 -17.5012 85.7357 126.297 7.91155 -180.933 -254.633 98.4216 -276.72 -48.3223 PRESSAVG: 2967000 -59.7943 24.4409 -33.0218 24.4409 86.0141 -58.8097 -33.0218 -58.8098 -2.52877 GPRESSAVG: 2967000 -60.9709 24.3267 -33.3899 22.8154 87.6099 -57.7296 -30.1044 -59.7066 -2.7331 TIMING: 2967000 CPU: 9267.55, 0.00312277/step Wall: 9267.55, 0.00312277/step, 1.7635 hours remaining, 234.765625 MB of memory in use. ENERGY: 2967000 4023.8303 20494.2357 14499.5494 246.5608 -203126.3917 2587.3049 0.0000 0.0000 52083.5670 -109191.3436 299.3250 -161274.9105 -108838.2481 299.7451 -111.2156 -82.2520 763989.4814 7.8970 7.9686 PRESSURE: 2967200 -67.0867 107.717 -55.9239 107.716 -202.526 -98.8974 -55.9236 -98.8973 53.3941 GPRESSURE: 2967200 -107.516 143.782 -51.2005 -65.3816 -41.5998 -150.559 -24.7648 -52.8543 26.9762 PRESSAVG: 2967200 -50.8035 0.376458 16.0181 0.376521 28.9125 -35.6533 16.0182 -35.6533 12.9713 GPRESSAVG: 2967200 -49.0399 1.27701 15.7104 -0.13531 27.9696 -37.7766 16.5101 -36.1371 11.7109 TIMING: 2967200 CPU: 9268.17, 0.00312049/step Wall: 9268.17, 0.00312049/step, 1.76204 hours remaining, 234.765625 MB of memory in use. ENERGY: 2967200 4083.1681 20458.0011 14487.6610 251.7054 -203389.4273 2706.9937 0.0000 0.0000 52110.7927 -109291.1053 299.4814 -161401.8980 -108925.9706 299.6939 -72.0729 -40.7133 763163.1097 -2.9732 -3.1198 PRESSURE: 2967400 -262.306 76.0756 35.7643 76.0759 -140.417 12.2964 35.7644 12.2958 -712.503 GPRESSURE: 2967400 -263.4 120.666 74.1321 74.4205 -187.684 81.1882 11.6948 95.712 -591.93 PRESSAVG: 2967400 13.2945 27.944 -28.7454 27.944 -6.26992 12.2087 -28.7454 12.2087 -0.405494 GPRESSAVG: 2967400 12.3787 27.6527 -29.4271 30.6511 -6.35404 12.6392 -29.4438 11.746 0.68376 TIMING: 2967400 CPU: 9268.8, 0.0031318/step Wall: 9268.8, 0.0031318/step, 1.76825 hours remaining, 234.765625 MB of memory in use. ENERGY: 2967400 4061.9751 20505.2388 14453.7885 254.3905 -203016.2821 2369.7961 0.0000 0.0000 51999.3747 -109371.7184 298.8411 -161371.0931 -109015.8509 299.2400 -371.7419 -347.6715 762486.5057 2.2064 2.2361 PRESSURE: 2967600 -82.4493 87.8363 -449.522 87.836 -72.8736 161.054 -449.521 161.052 -379.474 GPRESSURE: 2967600 -43.986 63.8501 -512.208 43.3384 -50.2717 205.999 -514.057 203.155 -340.558 PRESSAVG: 2967600 -58.2196 14.0526 -49.679 14.0526 -6.44415 5.85746 -49.679 5.8574 37.366 GPRESSAVG: 2967600 -57.1416 14.2414 -48.5062 10.9899 -6.58648 5.05689 -49.7756 7.96167 36.8987 TIMING: 2967600 CPU: 9269.42, 0.00313168/step Wall: 9269.42, 0.00313168/step, 1.76801 hours remaining, 234.765625 MB of memory in use. ENERGY: 2967600 3957.8979 20507.1215 14457.1285 235.7109 -202934.4371 2726.7557 0.0000 0.0000 51909.6002 -109140.2225 298.3252 -161049.8226 -108781.2072 299.4030 -178.2658 -144.9387 764561.2813 -9.0992 -8.9431 PRESSURE: 2967800 -232.302 -91.0571 27.8775 -91.0563 -124.215 21.5834 27.8788 21.5841 -41.9556 GPRESSURE: 2967800 -198.169 -144.18 98.9896 -55.0051 -74.8129 17.8072 31.386 -59.0963 -40.6664 PRESSAVG: 2967800 -17.4028 -21.8116 -24.0462 -21.8116 -11.3847 4.6293 -24.0461 4.62932 -7.08031 GPRESSAVG: 2967800 -17.3304 -21.5213 -24.3164 -19.6938 -11.0008 6.84289 -24.0796 0.772004 -7.56661 TIMING: 2967800 CPU: 9270.05, 0.00312322/step Wall: 9270.05, 0.00312322/step, 1.76306 hours remaining, 234.765625 MB of memory in use. ENERGY: 2967800 3953.9015 20481.2281 14410.6360 247.8371 -202655.0675 2427.9398 0.0000 0.0000 51797.7813 -109335.7436 297.6826 -161133.5249 -108971.0894 299.0052 -132.8244 -104.5496 763507.6415 -11.9559 -11.9659 PRESSURE: 2968000 -282.723 172.461 77.4081 172.461 99.802 -105.619 77.4077 -105.619 196.556 GPRESSURE: 2968000 -254.35 206.829 49.7105 132.557 165.198 -20.0953 -78.3347 -179.43 193.393 PRESSAVG: 2968000 2.56024 18.3911 42.3849 18.391 -6.05762 -30.7361 42.385 -30.7363 -4.50818 GPRESSAVG: 2968000 1.38091 18.8077 43.5719 17.1195 -5.15594 -30.4579 39.9597 -28.5157 -4.48449 TIMING: 2968000 CPU: 9270.67, 0.0031272/step Wall: 9270.67, 0.0031272/step, 1.76513 hours remaining, 234.765625 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: 2968000 3930.9956 20530.8014 14567.7964 246.5058 -203025.3949 2548.8967 0.0000 0.0000 52130.3875 -109070.0115 299.5941 -161200.3989 -108714.4879 299.3110 4.5452 34.7472 762985.4046 -2.6685 -2.7532 PRESSURE: 2968200 -25.4888 137.73 -179.201 137.73 180.446 214.915 -179.2 214.915 -152.626 GPRESSURE: 2968200 44.9378 188.966 -207.241 99.0175 142.372 167.97 -115.298 288.804 -97.0982 PRESSAVG: 2968200 -17.0288 5.05509 4.42476 5.05507 10.9566 -4.20627 4.42467 -4.20626 16.071 GPRESSAVG: 2968200 -15.4676 3.32727 3.93186 6.34296 9.73295 -4.29358 5.63006 -4.60776 15.5962 TIMING: 2968200 CPU: 9271.3, 0.00313017/step Wall: 9271.3, 0.00313017/step, 1.76664 hours remaining, 234.765625 MB of memory in use. ENERGY: 2968200 3966.8692 20445.9739 14405.5010 245.1769 -203294.4137 2910.7625 0.0000 0.0000 52240.4401 -109079.6901 300.2265 -161320.1302 -108715.5570 299.6700 0.7771 30.0707 762926.0812 3.3329 3.2872 LDB: ============= START OF LOAD BALANCING ============== 9283.78 LDB: ============== END OF LOAD BALANCING =============== 9283.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9283.78 LDB: ============= START OF LOAD BALANCING ============== 9284.1 LDB: Largest compute 7007 load 0.027336 is 14.0% of average load 0.195126 LDB: Average compute 0.004348 is 2.2% of average load 0.195126 LDB: TIME 9284.1 LOAD: AVG 0.195126 MAX 0.21485 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.023 MB LDB: TIME 9284.1 LOAD: AVG 0.195126 MAX 0.21485 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.023 MB LDB: TIME 9284.1 LOAD: AVG 0.195126 MAX 0.21485 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.023 MB LDB: ============== END OF LOAD BALANCING =============== 9284.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9284.11 PRESSURE: 2968400 -176.61 -64.6426 116.539 -64.6437 -259.756 71.6419 116.539 71.6426 -455.419 GPRESSURE: 2968400 -152.579 -105.28 169.906 -127.819 -251.344 124.185 -13.3978 40.738 -412.236 PRESSAVG: 2968400 -12.698 2.87123 -58.479 2.87114 -47.7832 23.3954 -58.479 23.3954 9.90927 GPRESSAVG: 2968400 -14.1352 2.57977 -59.4727 3.76267 -47.362 22.8495 -56.1108 22.5601 10.5078 TIMING: 2968400 CPU: 9271.94, 0.00321608/step Wall: 9271.94, 0.00321608/step, 1.81494 hours remaining, 234.312500 MB of memory in use. ENERGY: 2968400 4057.9915 20483.7223 14462.4482 262.5442 -202969.8571 2533.7381 0.0000 0.0000 52186.5800 -108982.8328 299.9170 -161169.4128 -108625.6444 300.1830 -297.2617 -272.0532 764380.3207 -16.8573 -16.9965 PRESSURE: 2968600 274.832 -90.8932 198.525 -90.8927 2.26137 93.7791 198.525 93.7781 323.373 GPRESSURE: 2968600 284.947 -168.276 125.092 36.0672 105.236 75.8547 151.754 49.3078 291.042 PRESSAVG: 2968600 12.4193 -27.2926 -55.6193 -27.2926 31.0405 6.4185 -55.6193 6.41845 7.86633 GPRESSAVG: 2968600 11.8633 -27.6033 -55.9935 -27.9205 31.2253 6.4196 -56.4951 4.89796 8.06201 TIMING: 2968600 CPU: 9272.57, 0.00311982/step Wall: 9272.57, 0.00311982/step, 1.76045 hours remaining, 234.312500 MB of memory in use. ENERGY: 2968600 3995.3549 20593.8791 14396.0633 248.5041 -203304.3764 2908.6961 0.0000 0.0000 52185.4092 -108976.4697 299.9103 -161161.8788 -108617.0392 299.8822 200.1553 227.0750 761203.9552 17.1087 17.0502 PRESSURE: 2968800 62.9127 -108.804 -104.043 -108.803 -98.5194 62.6885 -104.043 62.6874 -80.0761 GPRESSURE: 2968800 71.5939 -57.3191 -170.971 -120.068 -48.8362 68.6547 -37.7882 148.492 -51.6015 PRESSAVG: 2968800 -35.6368 -6.66146 -37.1779 -6.66139 29.2642 -50.5238 -37.178 -50.5239 -5.56145 GPRESSAVG: 2968800 -34.7321 -4.71469 -37.4739 -6.29081 29.2441 -51.0634 -37.5208 -48.1704 -5.60409 TIMING: 2968800 CPU: 9273.19, 0.00313015/step Wall: 9273.19, 0.00313015/step, 1.7661 hours remaining, 234.312500 MB of memory in use. ENERGY: 2968800 3941.1883 20772.0210 14443.9339 232.0171 -202684.2246 2354.1561 0.0000 0.0000 51900.8307 -109040.0775 298.2748 -160940.9082 -108689.4880 299.8153 -38.5609 -9.6146 760499.1612 -3.9780 -3.6974 PRESSURE: 2969000 -177.862 28.9739 -205.057 28.9744 168.176 -2.34652 -205.057 -2.34575 -239.326 GPRESSURE: 2969000 -2.93131 123.272 -266.666 36.6098 145.434 27.007 -186.933 39.9373 -294.315 PRESSAVG: 2969000 -28.1301 -13.4458 -63.8922 -13.4457 53.6593 -11.3319 -63.8923 -11.3319 23.4619 GPRESSAVG: 2969000 -27.4291 -13.7231 -62.2831 -16.558 53.8609 -11.6994 -64.6232 -10.7137 22.9137 TIMING: 2969000 CPU: 9273.82, 0.00311894/step Wall: 9273.82, 0.00311894/step, 1.7596 hours remaining, 234.312500 MB of memory in use. ENERGY: 2969000 4042.4906 20520.0510 14501.5202 232.6910 -202812.8111 2434.9436 0.0000 0.0000 52069.6520 -109011.4627 299.2450 -161081.1148 -108645.7860 299.9857 -83.0037 -50.6042 762585.2443 16.3304 16.4485 PRESSURE: 2969200 91.1766 -65.6397 -99.188 -65.6394 277.605 -45.1041 -99.1881 -45.1037 -114.413 GPRESSURE: 2969200 148.856 82.2997 -136.702 -146.273 255.542 -88.5593 -80.2342 -46.9924 -61.1929 PRESSAVG: 2969200 -5.27654 26.6478 -51.722 26.6478 30.1387 -27.6534 -51.722 -27.6534 -14.3837 GPRESSAVG: 2969200 -4.8217 25.9892 -52.952 29.7492 27.8684 -29.5326 -52.9154 -29.0393 -13.0575 TIMING: 2969200 CPU: 9274.44, 0.00312413/step Wall: 9274.44, 0.00312413/step, 1.76235 hours remaining, 234.312500 MB of memory in use. ENERGY: 2969200 3957.9896 20599.1403 14477.2495 250.1550 -203286.6800 2812.1323 0.0000 0.0000 52247.2437 -108942.7696 300.2656 -161190.0132 -108576.9500 299.8723 84.7895 114.4016 763137.2933 3.4928 3.3297 PRESSURE: 2969400 133.212 -261.897 32.493 -261.897 -325.08 -105.381 32.4923 -105.381 -243.18 GPRESSURE: 2969400 9.88645 -284.316 59.705 -77.8457 -183.902 -82.7922 -37.2762 -33.0111 -161.759 PRESSAVG: 2969400 -39.3412 0.870272 -10.586 0.87028 7.46417 -13.2796 -10.586 -13.2796 1.3586 GPRESSAVG: 2969400 -40.4395 0.160828 -10.5326 0.729242 8.79351 -13.3858 -7.93408 -9.99028 1.3824 TIMING: 2969400 CPU: 9275.07, 0.0031312/step Wall: 9275.07, 0.0031312/step, 1.76617 hours remaining, 234.312500 MB of memory in use. ENERGY: 2969400 3957.0727 20514.6754 14398.1218 244.4458 -202824.8620 2646.4567 0.0000 0.0000 52188.9555 -108875.1341 299.9306 -161064.0897 -108515.6015 299.8119 -145.0160 -111.9248 765759.1583 -10.1728 -10.0879 PRESSURE: 2969600 -109.577 32.7673 -73.5633 32.7666 180.683 -46.7535 -73.5632 -46.752 -315.83 GPRESSURE: 2969600 -95.0087 -98.1615 -123.178 32.5632 256.053 -62.2418 -107.853 17.1878 -312.527 PRESSAVG: 2969600 16.9324 68.7691 -7.84406 68.7692 66.7717 -9.78775 -7.84408 -9.78776 15.6867 GPRESSAVG: 2969600 16.0296 72.0573 -7.9176 69.2824 67.3898 -7.95087 -8.86146 -10.9929 16.0902 TIMING: 2969600 CPU: 9275.69, 0.00312685/step Wall: 9275.69, 0.00312685/step, 1.76354 hours remaining, 234.312500 MB of memory in use. ENERGY: 2969600 3980.1476 20486.0355 14408.0863 243.1871 -202682.4298 2555.6503 0.0000 0.0000 52266.4409 -108742.8822 300.3760 -161009.3231 -108366.2529 300.3903 -81.5747 -50.4941 763089.0206 33.1303 33.1699 PRESSURE: 2969800 23.2642 124.69 -21.021 124.69 -48.7996 84.7839 -21.021 84.7843 135.126 GPRESSURE: 2969800 73.7831 81.792 -10.2806 116.205 -16.7953 164.379 48.8468 40.3319 140.714 PRESSAVG: 2969800 16.1237 8.72796 -40.7537 8.72798 -25.0092 32.1672 -40.7536 32.1672 -5.46424 GPRESSAVG: 2969800 16.9451 4.31952 -38.1536 8.36454 -24.0523 31.6463 -43.8727 31.7783 -6.37148 TIMING: 2969800 CPU: 9276.32, 0.0031294/step Wall: 9276.32, 0.0031294/step, 1.76481 hours remaining, 234.312500 MB of memory in use. ENERGY: 2969800 3984.6039 20486.2308 14517.9962 246.8446 -202971.4956 2672.8384 0.0000 0.0000 52357.9460 -108705.0357 300.9018 -161062.9817 -108334.8216 300.9424 36.5301 65.9005 762930.9909 -4.7832 -4.4929 PRESSURE: 2970000 -200.256 -192.834 115.546 -192.834 232.993 25.1023 115.546 25.1016 -435.176 GPRESSURE: 2970000 -99.0812 -127.312 95.565 -142.433 266.268 -12.1833 85.0231 -87.9519 -502.216 PRESSAVG: 2970000 -23.4657 5.78073 26.1808 5.78074 -12.0427 2.06029 26.1809 2.0603 -3.17317 GPRESSAVG: 2970000 -22.5976 7.57963 23.5539 4.22262 -12.665 1.54735 30.7986 0.74916 -3.27006 TIMING: 2970000 CPU: 9276.94, 0.00312222/step Wall: 9276.94, 0.00312222/step, 1.76059 hours remaining, 234.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2970000 3992.6097 20578.7377 14457.8174 278.0208 -202568.9045 2372.9746 0.0000 0.0000 52145.8956 -108742.8486 299.6832 -160888.7442 -108379.7594 300.3056 -134.1466 -111.6767 764115.1787 -12.8939 -12.8442 PRESSURE: 2970200 91.4019 -323.583 -28.9765 -323.583 -58.0496 -82.2868 -28.9758 -82.288 -238.222 GPRESSURE: 2970200 52.1363 -297.467 -38.7213 -296.765 40.9286 -72.9908 -57.0937 -76.9181 -219.237 PRESSAVG: 2970200 -19.8922 -52.6637 4.35615 -52.6637 15.1123 41.2024 4.35617 41.2024 -14.7006 GPRESSAVG: 2970200 -20.1843 -53.4055 4.82114 -50.9262 14.5351 42.9378 2.4848 41.2331 -13.7604 TIMING: 2970200 CPU: 9277.57, 0.00311492/step Wall: 9277.57, 0.00311492/step, 1.75629 hours remaining, 234.312500 MB of memory in use. ENERGY: 2970200 3977.8092 20502.8445 14453.0235 226.9342 -203072.2628 2607.8594 0.0000 0.0000 52560.7106 -108743.0813 302.0671 -161303.7919 -108367.9087 300.7174 -68.2897 -42.0575 761377.5981 -6.4935 -6.4699 PRESSURE: 2970400 -117.826 -29.9354 128.336 -29.9356 -148.19 1.15508 128.336 1.15507 -82.812 GPRESSURE: 2970400 -134.757 23.5311 120.659 -79.3268 -98.6335 -26.4616 72.1864 43.1265 -22.8879 PRESSAVG: 2970400 -11.6517 -64.1944 3.3997 -64.1944 29.6096 -2.23848 3.3997 -2.23858 -5.18758 GPRESSAVG: 2970400 -12.5057 -62.6535 4.25194 -66.648 29.9203 -2.82497 4.0055 -2.90739 -4.84747 TIMING: 2970400 CPU: 9278.19, 0.0031166/step Wall: 9278.19, 0.0031166/step, 1.75707 hours remaining, 234.312500 MB of memory in use. ENERGY: 2970400 3983.7607 20568.6164 14446.1865 248.9335 -202411.2490 2406.8469 0.0000 0.0000 52236.2863 -108520.6186 300.2027 -160756.9049 -108154.0926 300.6702 -116.2760 -85.4262 762149.1553 4.2568 4.1891 PRESSURE: 2970600 144.282 392.497 -8.65536 392.497 -189.266 47.2849 -8.65511 47.2844 195.112 GPRESSURE: 2970600 231.742 117.381 34.6609 297.708 -202.056 -13.3008 -132.149 87.9999 181.898 PRESSAVG: 2970600 -7.39887 27.6481 26.0548 27.6481 -15.4256 4.74864 26.0548 4.74864 3.04644 GPRESSAVG: 2970600 -7.6714 24.138 25.2575 28.3196 -15.7523 3.91043 24.5746 5.96456 2.67534 TIMING: 2970600 CPU: 9278.82, 0.00313944/step Wall: 9278.82, 0.00313944/step, 1.76977 hours remaining, 234.312500 MB of memory in use. ENERGY: 2970600 3977.4273 20614.8252 14449.4523 253.9333 -203028.1820 2716.8165 0.0000 0.0000 52359.0226 -108656.7047 300.9080 -161015.7273 -108283.6791 301.3504 50.0426 70.5282 762168.2322 -6.5927 -6.9161 PRESSURE: 2970800 -442.383 -39.826 40.5957 -39.8262 -639.475 175.257 40.5963 175.258 -386.81 GPRESSURE: 2970800 -376.009 -40.0877 3.76465 -57.236 -665.594 110.746 244.154 115.259 -348.405 PRESSAVG: 2970800 33.4252 56.0908 48.1054 56.0908 -21.9545 70.5079 48.1053 70.5079 18.3275 GPRESSAVG: 2970800 33.201 55.4454 49.7694 55.7113 -21.042 70.3679 51.1404 69.517 17.9431 TIMING: 2970800 CPU: 9279.44, 0.00311822/step Wall: 9279.44, 0.00311822/step, 1.75764 hours remaining, 234.312500 MB of memory in use. ENERGY: 2970800 4094.4115 20587.4320 14436.9147 244.0833 -202330.0693 2113.4894 0.0000 0.0000 52262.5285 -108591.2099 300.3535 -160853.7384 -108231.3546 300.8093 -489.5559 -463.3358 761816.5097 9.9327 10.0340 PRESSURE: 2971000 -246.711 -29.1705 -164.051 -29.1695 -35.3721 -71.5511 -164.051 -71.5512 -97.3402 GPRESSURE: 2971000 -132.779 145.456 -187.583 53.1077 -40.9674 -19.5003 -236.403 42.3377 -119.556 PRESSAVG: 2971000 -8.46308 22.2245 42.7321 22.2245 -7.52929 22.8582 42.7322 22.8582 9.40014 GPRESSAVG: 2971000 -8.05458 26.9259 40.0895 22.7939 -9.00358 26.2436 40.7303 22.647 10.3635 TIMING: 2971000 CPU: 9280.07, 0.00313011/step Wall: 9280.07, 0.00313011/step, 1.76416 hours remaining, 234.312500 MB of memory in use. ENERGY: 2971000 4045.3477 20667.2765 14415.6895 243.0003 -202989.0763 2536.3628 0.0000 0.0000 52370.6969 -108710.7027 300.9751 -161081.3996 -108339.3149 300.5268 -126.4744 -97.7676 763335.9832 -2.1974 -2.2316 PRESSURE: 2971200 119.481 -57.9209 -145.589 -57.9206 71.2071 17.231 -145.588 17.2314 -253.849 GPRESSURE: 2971200 65.1315 -9.7531 -103.819 -72.3696 128.857 -17.5511 -143.445 -31.0919 -181.886 PRESSAVG: 2971200 -51.8047 -19.63 36.4929 -19.6301 73.7409 38.4339 36.4929 38.434 -16.1638 GPRESSAVG: 2971200 -51.9162 -23.3374 39.2816 -17.7561 75.1711 36.0885 35.6283 38.661 -17.2767 TIMING: 2971200 CPU: 9280.69, 0.00313782/step Wall: 9280.69, 0.00313782/step, 1.76833 hours remaining, 234.312500 MB of memory in use. ENERGY: 2971200 4002.0486 20723.3857 14483.4100 253.2601 -203298.7874 2891.7644 0.0000 0.0000 52062.5583 -108882.3603 299.2042 -160944.9186 -108524.6914 300.4689 -21.0536 4.0341 761984.1330 1.9242 1.9927 PRESSURE: 2971400 -223.545 117.261 -311.47 117.262 -249.86 -135.978 -311.469 -135.977 171.63 GPRESSURE: 2971400 -211.884 81.8909 -234.338 38.1866 -260.564 -58.2755 -366.626 -79.5548 248.373 PRESSAVG: 2971400 -44.9386 -41.6589 28.352 -41.6589 54.4972 -6.65191 28.352 -6.65185 13.0556 GPRESSAVG: 2971400 -45.2702 -39.7747 26.6694 -41.3126 54.5911 -6.85579 28.0211 -5.88385 13.6122 TIMING: 2971400 CPU: 9281.32, 0.00312677/step Wall: 9281.32, 0.00312677/step, 1.76193 hours remaining, 234.312500 MB of memory in use. ENERGY: 2971400 4027.7861 20530.6664 14417.3037 244.2435 -203160.9046 2666.4983 0.0000 0.0000 52293.6415 -108980.7652 300.5323 -161274.4067 -108614.5172 300.1538 -100.5916 -74.6917 762867.4533 7.5381 7.6444 PRESSURE: 2971600 56.7636 29.1428 1.68163 29.1421 -217.231 251.147 1.68071 251.148 0.0610555 GPRESSURE: 2971600 59.8163 83.726 60.7158 -46.7595 -201.98 280.061 -121.643 184.292 60.2395 PRESSAVG: 2971600 -6.39844 -18.7929 -5.92163 -18.7928 32.1223 4.06049 -5.92158 4.06051 -2.02896 GPRESSAVG: 2971600 -6.67486 -18.9422 -5.17545 -20.1481 31.3214 3.27839 -4.95786 3.57566 -1.09665 TIMING: 2971600 CPU: 9281.94, 0.00311599/step Wall: 9281.94, 0.00311599/step, 1.75569 hours remaining, 234.312500 MB of memory in use. ENERGY: 2971600 4074.8931 20762.1213 14472.3915 244.6136 -203174.4487 2637.2154 0.0000 0.0000 51860.4346 -109122.7792 298.0426 -160983.2138 -108762.8700 300.0504 -53.4688 -27.3081 762813.0282 7.8983 7.8500 PRESSURE: 2971800 79.958 -10.2082 -53.1485 -10.2088 180.914 90.528 -53.1477 90.5289 -165.537 GPRESSURE: 2971800 120.634 -9.76844 66.0499 53.1993 233 -4.96634 -80.0654 125.145 -169.569 PRESSAVG: 2971800 4.3523 -42.138 16.0195 -42.138 -12.8867 46.5794 16.0195 46.5794 9.16232 GPRESSAVG: 2971800 5.3223 -41.6566 16.082 -41.4068 -12.8911 47.4375 15.4429 48.7586 8.54113 TIMING: 2971800 CPU: 9282.57, 0.00313085/step Wall: 9282.57, 0.00313085/step, 1.76389 hours remaining, 234.312500 MB of memory in use. ENERGY: 2971800 4015.6448 20581.8013 14504.0280 261.2367 -203612.4307 2861.0666 0.0000 0.0000 52502.7257 -108885.9276 301.7339 -161388.6533 -108524.5427 300.2369 31.7780 61.3550 761427.6879 0.2093 0.3241 PRESSURE: 2972000 22.3855 123.053 57.2605 123.053 -304.257 -59.0291 57.2599 -59.0301 -183.05 GPRESSURE: 2972000 -37.1341 140.746 11.4467 54.1272 -208.817 -50.9761 66.2693 -153.165 -147.868 PRESSAVG: 2972000 -20.5432 7.75437 43.9838 7.75435 43.8729 29.2107 43.9838 29.2107 9.28804 GPRESSAVG: 2972000 -20.0881 6.75843 44.0595 6.97286 44.6227 28.6121 43.5242 26.1857 8.41515 TIMING: 2972000 CPU: 9283.19, 0.0031245/step Wall: 9283.19, 0.0031245/step, 1.76013 hours remaining, 234.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2972000 3993.9702 20632.8334 14399.5165 239.4657 -203273.1311 2746.6351 0.0000 0.0000 52291.9020 -108968.8082 300.5223 -161260.7102 -108604.9068 300.4022 -154.9739 -131.2732 761212.7593 10.8726 10.9832 PRESSURE: 2972200 -30.898 78.6795 -254.551 78.6793 -139.731 11.3852 -254.551 11.3858 -201.206 GPRESSURE: 2972200 8.86272 54.6825 -284.187 131.633 -78.5041 -6.56918 -155.521 -18.3207 -203.712 PRESSAVG: 2972200 -35.8369 0.0823222 -1.28193 0.0823627 18.7274 14.6535 -1.28197 14.6535 -0.701726 GPRESSAVG: 2972200 -36.1682 0.509364 -2.0856 0.899066 18.6899 15.9592 -1.56415 16.6841 0.251769 TIMING: 2972200 CPU: 9283.82, 0.00312323/step Wall: 9283.82, 0.00312323/step, 1.75924 hours remaining, 234.312500 MB of memory in use. ENERGY: 2972200 4066.2614 20495.5354 14427.9457 245.1425 -202741.4531 2185.5634 0.0000 0.0000 52301.3442 -109019.6604 300.5765 -161321.0046 -108649.0049 300.2581 -123.9447 -91.1179 761130.1106 -5.9371 -5.7422 LDB: ============= START OF LOAD BALANCING ============== 9296.3 LDB: ============== END OF LOAD BALANCING =============== 9296.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9296.3 LDB: ============= START OF LOAD BALANCING ============== 9296.61 LDB: Largest compute 7007 load 0.029550 is 15.1% of average load 0.195080 LDB: Average compute 0.004377 is 2.2% of average load 0.195080 LDB: TIME 9296.62 LOAD: AVG 0.19508 MAX 0.214969 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 9296.62 LOAD: AVG 0.19508 MAX 0.214969 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: TIME 9296.62 LOAD: AVG 0.19508 MAX 0.214969 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: ============== END OF LOAD BALANCING =============== 9296.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9296.62 PRESSURE: 2972400 -102.032 116.331 -63.4763 116.331 -386.008 56.2401 -63.4755 56.2408 -309.126 GPRESSURE: 2972400 -74.5105 69.6326 -79.9487 60.7417 -310.208 64.8081 -187.048 34.3769 -341.67 PRESSAVG: 2972400 -28.1292 -2.56843 -51.1506 -2.56838 21.6693 49.0554 -51.1506 49.0554 6.22704 GPRESSAVG: 2972400 -28.4308 -3.61995 -50.7537 -5.03222 22.2067 48.9026 -49.8632 47.8214 5.64114 TIMING: 2972400 CPU: 9284.46, 0.0031955/step Wall: 9284.46, 0.0031955/step, 1.79978 hours remaining, 233.742188 MB of memory in use. ENERGY: 2972400 3904.9759 20454.0990 14398.0897 243.8176 -202880.7081 2316.3090 0.0000 0.0000 52474.8920 -109088.5249 301.5739 -161563.4169 -108717.5264 300.5959 -265.7218 -242.1296 762265.4968 -0.0776 -0.1943 PRESSURE: 2972600 -50.6618 -2.95709 220.81 -2.95735 -120.74 190.567 220.81 190.569 -360.338 GPRESSURE: 2972600 -64.6807 -34.2289 235.066 -37.7941 -3.31842 202.565 -2.13285 163.455 -352.604 PRESSAVG: 2972600 -77.6783 -17.1418 -5.59836 -17.1419 22.5027 24.176 -5.59828 24.176 -10.3634 GPRESSAVG: 2972600 -76.2452 -17.4312 -5.52844 -16.321 21.6611 23.6899 -6.15563 24.1826 -10.9223 TIMING: 2972600 CPU: 9285.08, 0.00311889/step Wall: 9285.08, 0.00311889/step, 1.75645 hours remaining, 233.742188 MB of memory in use. ENERGY: 2972600 4021.1035 20756.4916 14403.6612 236.4018 -202449.3096 2047.8420 0.0000 0.0000 51931.4363 -109052.3732 298.4507 -160983.8095 -108692.2867 299.6622 -177.2463 -140.2011 761163.8510 -21.8463 -21.8355 PRESSURE: 2972800 290.029 -74.9436 -74.3828 -74.9435 136.716 -157.969 -74.3823 -157.97 85.9926 GPRESSURE: 2972800 311.778 -54.1702 0.440707 -86.1172 143.275 -226.379 -37.0737 -135.121 133.737 PRESSAVG: 2972800 7.11146 -0.55898 38.1314 -0.55903 49.9503 9.27772 38.1315 9.27767 9.58661 GPRESSAVG: 2972800 6.25434 0.518821 38.571 -1.02022 50.0308 9.10298 37.1433 12.0056 10.108 TIMING: 2972800 CPU: 9285.7, 0.00311113/step Wall: 9285.7, 0.00311113/step, 1.75191 hours remaining, 233.742188 MB of memory in use. ENERGY: 2972800 4024.3504 20589.8037 14388.5553 253.7748 -203093.7406 2631.2968 0.0000 0.0000 51956.6605 -109249.2992 298.5956 -161205.9597 -108894.0983 300.0601 170.9126 196.2634 760405.2266 22.2161 22.1311 PRESSURE: 2973000 -65.5942 213.006 -64.568 213.007 26.7076 107.908 -64.5677 107.909 -420.941 GPRESSURE: 2973000 -58.9281 160.124 -13.1049 121.631 12.2028 60.7 -110.719 134.712 -336.951 PRESSAVG: 2973000 27.6786 7.62892 -1.50957 7.62891 -6.36193 51.9667 -1.50954 51.9667 -9.61835 GPRESSAVG: 2973000 28.5327 9.71431 -1.61018 8.27719 -7.83744 51.3765 -1.26421 50.1858 -9.39868 TIMING: 2973000 CPU: 9286.33, 0.00312142/step Wall: 9286.33, 0.00312142/step, 1.75754 hours remaining, 233.742188 MB of memory in use. ENERGY: 2973000 3942.2791 20306.8436 14389.6314 231.5662 -203289.5824 2446.3093 0.0000 0.0000 52416.3369 -109556.6160 301.2374 -161972.9529 -109187.0031 299.0241 -153.2757 -127.8921 761891.0696 3.8995 3.7655 PRESSURE: 2973200 -272.83 -89.8748 -12.1695 -89.8744 -233.122 -43.3684 -12.1694 -43.3679 -449.536 GPRESSURE: 2973200 -268.553 -31.2223 33.2798 -46.0068 -120.686 22.2383 -1.44989 -185.262 -467.49 PRESSAVG: 2973200 24.9864 -15.6558 -8.58548 -15.6558 -21.3339 68.1614 -8.58541 68.1614 21.4089 GPRESSAVG: 2973200 23.9294 -17.244 -8.9564 -15.5906 -20.0354 68.6873 -8.12692 68.9595 21.4735 TIMING: 2973200 CPU: 9286.96, 0.00314375/step Wall: 9286.96, 0.00314375/step, 1.76993 hours remaining, 233.742188 MB of memory in use. ENERGY: 2973200 3965.0545 20714.0761 14372.0046 234.8643 -203043.4457 2481.4157 0.0000 0.0000 51862.2911 -109413.7394 298.0533 -161276.0305 -109058.7198 298.8169 -318.4959 -285.5761 761757.9808 8.3538 8.4558 PRESSURE: 2973400 199.293 93.4709 138.575 93.4713 130.987 -4.17992 138.574 -4.1797 -47.2762 GPRESSURE: 2973400 294.369 46.1857 9.63972 69.9682 162.578 24.2301 124.591 61.0879 -89.2046 PRESSAVG: 2973400 31.8039 12.2272 -29.9652 12.2273 -38.781 0.50015 -29.9652 0.500166 -15.1074 GPRESSAVG: 2973400 31.7884 12.0783 -30.0418 10.8936 -38.9102 0.0648254 -28.7289 0.778068 -15.5503 TIMING: 2973400 CPU: 9287.58, 0.00313037/step Wall: 9287.58, 0.00313037/step, 1.76223 hours remaining, 233.742188 MB of memory in use. ENERGY: 2973400 3976.4980 20439.1969 14423.7907 231.3907 -202782.1010 2423.4855 0.0000 0.0000 52140.4779 -109147.2613 299.6520 -161287.7392 -108781.2292 298.9521 94.3345 122.5809 762234.9145 -7.3615 -7.5574 PRESSURE: 2973600 456.362 81.0059 -10.0296 81.0057 212.027 -164.568 -10.0299 -164.569 80.9952 GPRESSURE: 2973600 425.724 102.129 20.3425 155.348 319.097 -102.055 -100.72 -115.288 110.782 PRESSAVG: 2973600 35.5287 13.5526 -33.2665 13.5527 3.22606 -56.1774 -33.2665 -56.1774 20.5185 GPRESSAVG: 2973600 35.6103 14.1625 -31.3834 15.5053 2.93135 -55.97 -35.46 -56.5476 20.9128 TIMING: 2973600 CPU: 9288.21, 0.00312219/step Wall: 9288.21, 0.00312219/step, 1.75745 hours remaining, 233.742188 MB of memory in use. ENERGY: 2973600 4057.2174 20551.7171 14353.2316 250.6821 -203212.3829 2794.6332 0.0000 0.0000 51972.5245 -109232.3770 298.6868 -161204.9015 -108871.7266 298.9905 249.7946 285.2009 759582.9496 19.7577 19.8181 PRESSURE: 2973800 64.7768 82.4997 -11.7355 82.5006 163.684 -174.888 -11.7351 -174.888 -82.7654 GPRESSURE: 2973800 46.3681 95.3533 -30.5746 141.974 254.878 -67.2614 17.6171 -245.222 -77.1252 PRESSAVG: 2973800 6.942 -4.44609 23.8267 -4.44616 34.5345 -22.3966 23.8267 -22.3965 8.91 GPRESSAVG: 2973800 7.04467 -6.36977 24.1506 -4.34302 34.7527 -21.8008 24.8256 -22.9144 8.41741 TIMING: 2973800 CPU: 9288.83, 0.00312385/step Wall: 9288.83, 0.00312385/step, 1.75821 hours remaining, 233.742188 MB of memory in use. ENERGY: 2973800 3899.5415 20513.3631 14391.4036 240.2901 -203185.1517 2645.6060 0.0000 0.0000 52082.6295 -109412.3177 299.3196 -161494.9473 -109047.4680 299.4905 48.5652 74.7068 762414.5847 16.7955 16.7383 PRESSURE: 2974000 17.9525 -14.6141 -17.2889 -14.6137 35.6554 185.53 -17.2887 185.53 -728.636 GPRESSURE: 2974000 119.95 30.8733 -75.5737 35.1601 14.6132 203.706 -42.8149 219.026 -732.992 PRESSAVG: 2974000 5.0889 -19.7688 30.6474 -19.7687 -16.4628 10.9506 30.6474 10.9506 -20.2024 GPRESSAVG: 2974000 5.50265 -18.6422 30.0855 -18.554 -17.1204 10.9284 31.1019 10.3747 -19.6792 TIMING: 2974000 CPU: 9289.46, 0.00313063/step Wall: 9289.46, 0.00313063/step, 1.76185 hours remaining, 233.742188 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: 2974000 3979.4987 20518.7094 14383.6511 266.2308 -203076.8922 2641.7739 0.0000 0.0000 51629.5788 -109657.4496 296.7159 -161287.0284 -109293.8768 299.0021 -225.0093 -199.4761 763325.0915 -10.5254 -10.4323 PRESSURE: 2974200 3.26432 54.676 211.262 54.6762 76.3717 63.1139 211.262 63.1156 41.7677 GPRESSURE: 2974200 -57.7702 133.05 301.757 40.2857 139.097 60.7239 176.898 45.9832 119.497 PRESSAVG: 2974200 6.73128 -3.37647 -5.48585 -3.37651 -26.5556 3.63756 -5.48583 3.63756 -4.37325 GPRESSAVG: 2974200 5.46545 -1.40484 -6.02562 -6.13314 -25.595 3.03916 -7.58422 4.29698 -3.71475 TIMING: 2974200 CPU: 9290.08, 0.00313402/step Wall: 9290.08, 0.00313402/step, 1.76358 hours remaining, 233.742188 MB of memory in use. ENERGY: 2974200 3965.2523 20303.2097 14470.4634 241.5967 -203454.1065 2721.8777 0.0000 0.0000 52101.0038 -109650.7030 299.4252 -161751.7068 -109294.6270 298.4188 40.4679 66.9410 761102.9488 -8.0658 -7.9481 PRESSURE: 2974400 -135.923 181.854 2.58553 181.853 14.0993 109.564 2.58537 109.563 92.8776 GPRESSURE: 2974400 -27.2717 166.055 47.4873 -21.8216 -56.3418 49.3349 73.7167 144.706 151.872 PRESSAVG: 2974400 33.9999 46.2301 6.23734 46.2301 -27.548 -11.1502 6.23726 -11.1501 6.04948 GPRESSAVG: 2974400 34.5499 41.6768 5.72189 49.4657 -28.5064 -10.2447 8.73933 -12.3683 6.01805 TIMING: 2974400 CPU: 9290.71, 0.00310833/step Wall: 9290.71, 0.00310833/step, 1.74895 hours remaining, 233.742188 MB of memory in use. ENERGY: 2974400 3940.1317 20447.2443 14403.8383 268.8572 -203135.5346 2517.7686 0.0000 0.0000 51969.7992 -109587.8954 298.6712 -161557.6946 -109231.7650 298.9071 -9.6485 22.7527 760761.9081 4.1671 4.0205 PRESSURE: 2974600 31.6605 58.8557 75.2959 58.8536 137.236 -84.7037 75.2963 -84.7035 -200.706 GPRESSURE: 2974600 143.438 -70.1059 97.2423 150.423 129.337 -85.1382 -12.9667 -147.615 -203.512 PRESSAVG: 2974600 13.329 25.0566 57.1642 25.0567 -8.25545 -19.7378 57.1642 -19.7378 23.1667 GPRESSAVG: 2974600 14.1103 26.5861 57.7796 22.9021 -7.71266 -20.6557 55.9725 -20.0175 22.0274 TIMING: 2974600 CPU: 9291.33, 0.00312512/step Wall: 9291.33, 0.00312512/step, 1.75823 hours remaining, 233.742188 MB of memory in use. ENERGY: 2974600 3984.6263 20497.4694 14482.4015 267.7632 -203490.2622 2602.5479 0.0000 0.0000 52117.6298 -109537.8242 299.5207 -161655.4540 -109170.5714 298.7042 -10.6032 23.0877 759448.4297 9.4134 9.4750 PRESSURE: 2974800 200.825 26.7109 -103.937 26.7106 57.7557 -142.124 -103.938 -142.124 25.7803 GPRESSURE: 2974800 326.688 -55.0426 -7.23537 177.646 72.442 -251.861 -178.578 -39.991 -45.6086 PRESSAVG: 2974800 -2.30103 -18.6383 -1.88258 -18.6384 -4.44722 -12.6496 -1.88254 -12.6497 5.2653 GPRESSAVG: 2974800 -3.44619 -18.4251 -3.43638 -16.2124 -4.6155 -12.7182 -1.13255 -11.5781 6.21019 TIMING: 2974800 CPU: 9291.95, 0.0030993/step Wall: 9291.95, 0.0030993/step, 1.74353 hours remaining, 233.742188 MB of memory in use. ENERGY: 2974800 3975.3133 20317.7632 14392.7775 226.8378 -203441.0850 2769.1243 0.0000 0.0000 52135.1814 -109624.0874 299.6216 -161759.2688 -109258.0441 299.0995 94.7870 117.8404 761625.3349 -0.4943 -0.6172 PRESSURE: 2975000 3.47732 0.371567 3.88482 0.371535 -122.923 99.5943 3.88481 99.5948 212.942 GPRESSURE: 2975000 93.6495 -56.5169 9.10242 -16.0225 -103.673 34.1574 -61.6478 105.097 169.908 PRESSAVG: 2975000 68.8589 -26.4184 29.4895 -26.4184 -60.2941 16.209 29.4895 16.2089 6.0266 GPRESSAVG: 2975000 70.0677 -25.3463 30.9965 -26.9019 -61.6027 16.4273 27.8012 16.6093 6.55972 TIMING: 2975000 CPU: 9292.58, 0.00312117/step Wall: 9292.58, 0.00312117/step, 1.75566 hours remaining, 233.742188 MB of memory in use. ENERGY: 2975000 3963.5636 20612.2166 14385.3599 243.7057 -203332.1973 2683.2429 0.0000 0.0000 51869.9156 -109574.1930 298.0971 -161444.1086 -109219.1942 299.0665 31.1653 53.2947 761096.8920 4.8638 5.0082 PRESSURE: 2975200 42.2953 11.3271 15.4904 11.3272 -343.45 -35.0787 15.4907 -35.079 -240.429 GPRESSURE: 2975200 33.7733 14.3704 -25.0756 -76.8626 -263.825 -33.246 132.089 -62.0531 -223.22 PRESSAVG: 2975200 3.05094 36.8212 2.10396 36.8212 -22.5067 -17.4598 2.10401 -17.4598 18.751 GPRESSAVG: 2975200 1.12019 33.0725 2.06912 36.2888 -20.9905 -18.0416 4.05185 -17.8355 18.594 TIMING: 2975200 CPU: 9293.2, 0.00312897/step Wall: 9293.2, 0.00312897/step, 1.75987 hours remaining, 233.742188 MB of memory in use. ENERGY: 2975200 3976.2076 20443.0214 14453.9110 234.6527 -203101.8382 2601.7148 0.0000 0.0000 51988.8425 -109403.4882 298.7806 -161392.3306 -109043.4894 298.7209 -180.5280 -151.0907 762102.7985 -0.2349 -0.4254 PRESSURE: 2975400 -21.2446 -20.5822 -104.985 -20.5824 -454.574 -161.18 -104.985 -161.179 -221.708 GPRESSURE: 2975400 -1.24103 -43.2842 -203.461 -149.265 -378.858 -120.965 -30.0618 -127.907 -208.98 PRESSAVG: 2975400 25.1049 -8.14122 -25.7338 -8.14123 -43.8526 -9.33681 -25.7339 -9.33681 -6.52942 GPRESSAVG: 2975400 26.6187 -7.20411 -26.4633 -7.53746 -43.7563 -6.83129 -26.4416 -12.4871 -8.14211 TIMING: 2975400 CPU: 9293.83, 0.00315626/step Wall: 9293.83, 0.00315626/step, 1.77505 hours remaining, 233.742188 MB of memory in use. ENERGY: 2975400 3994.8746 20432.8117 14399.2244 234.0368 -202659.1141 2228.4169 0.0000 0.0000 51978.3153 -109391.4344 298.7201 -161369.7497 -109031.9679 299.2402 -232.5089 -196.3598 762090.5196 -8.4257 -8.4266 PRESSURE: 2975600 -202.393 28.967 -102.984 28.9667 -102.169 -306.786 -102.984 -306.786 -160.16 GPRESSURE: 2975600 -96.4079 67.9789 -54.9126 13.4854 -161.185 -267.615 -183.057 -214.61 -126.062 PRESSAVG: 2975600 22.4482 -10.4949 -2.82118 -10.4949 11.308 13.3008 -2.8212 13.3007 11.5801 GPRESSAVG: 2975600 22.9357 -8.44944 -3.36803 -11.7948 10.975 12.2494 -4.00992 15.8533 11.8031 TIMING: 2975600 CPU: 9294.46, 0.00314393/step Wall: 9294.46, 0.00314393/step, 1.76794 hours remaining, 233.742188 MB of memory in use. ENERGY: 2975600 3958.0543 20403.4251 14447.8112 246.3055 -203331.1903 2598.8578 0.0000 0.0000 52091.2394 -109585.4970 299.3691 -161676.7364 -109222.5585 299.2360 -154.9077 -127.8849 762348.6472 15.1121 15.2379 PRESSURE: 2975800 102.591 -54.0902 -136.994 -54.0904 -81.4154 56.5601 -136.994 56.5606 159.112 GPRESSURE: 2975800 -10.0011 -47.1191 -249.307 -27.4698 34.9425 52.3305 -96.5674 75.5055 235.74 PRESSAVG: 2975800 -0.954756 20.5495 -8.51673 20.5494 6.87257 25.8252 -8.51673 25.8253 -6.68416 GPRESSAVG: 2975800 -2.4474 20.3202 -7.61379 19.7206 7.321 22.7307 -7.3921 27.3005 -6.0039 TIMING: 2975800 CPU: 9295.08, 0.00311254/step Wall: 9295.08, 0.00311254/step, 1.75011 hours remaining, 233.742188 MB of memory in use. ENERGY: 2975800 3965.4978 20566.5282 14379.5555 248.3743 -203602.7190 2845.7909 0.0000 0.0000 51843.8929 -109753.0793 297.9476 -161596.9722 -109398.7972 298.3943 60.0957 86.8938 761235.6247 -0.2554 -0.3768 PRESSURE: 2976000 -42.7355 -158.554 -259.371 -158.554 136.948 -124.847 -259.37 -124.848 -122.093 GPRESSURE: 2976000 -117.985 -167.38 -192.907 -234.656 193.481 -77.4076 -245.053 -178.072 -26.7747 PRESSAVG: 2976000 8.39319 -39.6798 -5.55386 -39.6799 2.72884 -17.975 -5.55391 -17.975 2.3202 GPRESSAVG: 2976000 7.43718 -41.3077 -5.82449 -38.4223 3.75591 -16.0449 -6.99484 -19.5919 1.84615 TIMING: 2976000 CPU: 9295.71, 0.00312966/step Wall: 9295.71, 0.00312966/step, 1.75956 hours remaining, 233.742188 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: 2976000 3892.8831 20527.5160 14456.3618 245.6187 -203339.3267 2577.8820 0.0000 0.0000 51606.2448 -110032.8202 296.5818 -161639.0651 -109676.2820 297.9758 -9.2935 16.2403 761992.5905 4.4807 4.3464 PRESSURE: 2976200 -267.724 -72.9702 89.4468 -72.97 -102.145 223.876 89.4459 223.876 109.627 GPRESSURE: 2976200 -203.306 -109.644 108.321 38.7023 39.505 232.707 84.3785 137.941 -6.80154 PRESSAVG: 2976200 -13.486 10.5077 -62.0021 10.5076 24.5818 -7.87346 -62.0022 -7.87348 -5.67213 GPRESSAVG: 2976200 -12.0507 12.4538 -60.1061 9.76735 23.4098 -8.25439 -60.0798 -7.18408 -6.14447 TIMING: 2976200 CPU: 9296.33, 0.00312475/step Wall: 9296.33, 0.00312475/step, 1.75663 hours remaining, 233.742188 MB of memory in use. ENERGY: 2976200 3954.3639 20365.7427 14371.1063 245.5235 -203616.2381 2722.1919 0.0000 0.0000 52040.7055 -109916.6043 299.0786 -161957.3098 -109565.0949 297.9622 -86.7471 -56.8674 760361.0604 1.8079 1.7382 LDB: ============= START OF LOAD BALANCING ============== 9308.81 LDB: ============== END OF LOAD BALANCING =============== 9308.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9308.82 LDB: ============= START OF LOAD BALANCING ============== 9309.13 LDB: Largest compute 7007 load 0.029826 is 15.3% of average load 0.195079 LDB: Average compute 0.004392 is 2.3% of average load 0.195079 LDB: TIME 9309.13 LOAD: AVG 0.195079 MAX 0.213791 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.793 MB LDB: TIME 9309.13 LOAD: AVG 0.195079 MAX 0.213791 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.832 MB LDB: TIME 9309.13 LOAD: AVG 0.195079 MAX 0.213791 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.832 MB LDB: ============== END OF LOAD BALANCING =============== 9309.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9309.14 PRESSURE: 2976400 -352.226 18.9269 39.5195 18.9263 -114.46 -46.7859 39.5207 -46.786 -75.8465 GPRESSURE: 2976400 -331.364 -16.0705 32.4732 -20.3538 -75.3459 18.4155 169.428 72.7189 -43.5063 PRESSAVG: 2976400 -41.4606 14.7515 -3.01544 14.7515 80.4269 -23.9198 -3.01543 -23.9198 17.222 GPRESSAVG: 2976400 -41.551 14.3497 -3.95909 16.0226 80.6278 -23.4008 -2.53465 -23.1171 17.4802 TIMING: 2976400 CPU: 9296.97, 0.00318673/step Wall: 9296.97, 0.00318673/step, 1.7913 hours remaining, 233.027344 MB of memory in use. ENERGY: 2976400 4017.8788 20297.3741 14483.5008 242.7881 -203173.2739 2495.4727 0.0000 0.0000 51800.5838 -109835.6756 297.6987 -161636.2594 -109475.8868 298.4098 -180.8442 -150.0722 760762.9720 18.7294 18.8523 PRESSURE: 2976600 -50.5077 -5.50891 193.428 -5.50856 120.626 -193.549 193.429 -193.549 -25.952 GPRESSURE: 2976600 -73.4543 13.0055 205.54 136.657 186.585 -66.0279 140.731 -180.505 6.03663 PRESSAVG: 2976600 -48.7245 31.2368 57.5236 31.2368 36.2406 -16.2052 57.5236 -16.2053 -2.27376 GPRESSAVG: 2976600 -48.8311 31.5324 58.8139 29.4946 35.7014 -15.9614 55.0878 -14.886 -1.96097 TIMING: 2976600 CPU: 9297.6, 0.00311676/step Wall: 9297.6, 0.00311676/step, 1.75179 hours remaining, 233.027344 MB of memory in use. ENERGY: 2976600 3922.4454 20352.7344 14449.9444 257.3701 -203262.3182 2665.4066 0.0000 0.0000 51903.3391 -109711.0783 298.2892 -161614.4174 -109346.7267 298.1877 14.7223 39.7223 760728.1914 -4.9192 -5.0302 PRESSURE: 2976800 -9.2429 97.2502 -59.9679 97.25 -175.721 115.041 -59.9676 115.041 -175.846 GPRESSURE: 2976800 -53.5554 88.4088 -58.733 107.681 -95.1652 161.478 -74.3006 212.168 -125.16 PRESSAVG: 2976800 -8.15521 -20.5835 -60.9607 -20.5834 20.8354 34.9452 -60.9607 34.9452 -0.298385 GPRESSAVG: 2976800 -9.02967 -22.0568 -62.2023 -18.354 21.7855 34.844 -60.5219 32.3035 -0.328194 TIMING: 2976800 CPU: 9298.22, 0.00311759/step Wall: 9298.22, 0.00311759/step, 1.75208 hours remaining, 233.027344 MB of memory in use. ENERGY: 2976800 3964.7358 20429.0130 14369.3664 230.1211 -202818.5102 2415.2593 0.0000 0.0000 51808.1976 -109601.8169 297.7424 -161410.0145 -109243.2838 298.3215 -120.2702 -91.2937 761358.5518 4.1273 4.1425 PRESSURE: 2977000 68.6841 -8.03695 -92.907 -8.03682 119.357 -38.963 -92.9083 -38.9609 -60.192 GPRESSURE: 2977000 156.96 16.6809 -129.401 -132.825 116.948 -5.76203 -105.074 -113.337 -41.6445 PRESSAVG: 2977000 -1.1878 -7.83741 -77.8134 -7.8374 -20.451 -60.6255 -77.8134 -60.6254 7.00001 GPRESSAVG: 2977000 -0.958763 -6.3396 -76.8123 -9.55363 -19.9173 -60.7647 -77.2402 -61.0211 6.75678 TIMING: 2977000 CPU: 9298.84, 0.00311327/step Wall: 9298.84, 0.00311327/step, 1.74949 hours remaining, 233.027344 MB of memory in use. ENERGY: 2977000 3943.9497 20428.7740 14459.7685 245.5237 -203511.7566 2753.7285 0.0000 0.0000 52145.2618 -109534.7503 299.6795 -161680.0121 -109176.3835 298.1768 42.6165 77.4212 762045.3870 -4.8796 -4.7064 PRESSURE: 2977200 -241.751 -96.1109 187.146 -96.111 -64.8122 -118.924 187.147 -118.925 -273.31 GPRESSURE: 2977200 -301.652 -56.1553 184.625 -44.1632 -10.4228 -75.3405 87.5827 -149.717 -161.219 PRESSAVG: 2977200 -36.5823 -15.1461 -36.538 -15.1461 12.8448 3.47455 -36.538 3.4745 2.57571 GPRESSAVG: 2977200 -36.2331 -16.904 -37.2092 -14.129 12.5237 3.96737 -36.6186 5.46242 2.08087 TIMING: 2977200 CPU: 9299.47, 0.00312352/step Wall: 9299.47, 0.00312352/step, 1.75507 hours remaining, 233.027344 MB of memory in use. ENERGY: 2977200 4000.4201 20430.4856 14361.2438 237.7887 -202905.6376 2568.5091 0.0000 0.0000 52054.2368 -109252.9535 299.1564 -161307.1903 -108891.3635 298.5306 -193.2912 -157.7647 763669.0407 -7.0539 -7.2095 PRESSURE: 2977400 -111.431 32.1465 60.2446 32.1478 30.8985 -274.328 60.2449 -274.327 21.6786 GPRESSURE: 2977400 -118.226 39.6248 58.292 49.7979 56.4077 -218.536 110.211 -235.452 79.7277 PRESSAVG: 2977400 -23.6213 16.3778 -7.23555 16.3778 48.166 -36.5434 -7.23554 -36.5433 -10.2225 GPRESSAVG: 2977400 -24.0063 15.2989 -7.19507 15.5839 48.0689 -37.6698 -6.89414 -36.0839 -10.2913 TIMING: 2977400 CPU: 9300.09, 0.00311939/step Wall: 9300.09, 0.00311939/step, 1.75258 hours remaining, 233.027344 MB of memory in use. ENERGY: 2977400 3899.2150 20499.7174 14391.7669 258.5597 -202972.7630 2549.7437 0.0000 0.0000 52166.3741 -109207.3863 299.8009 -161373.7604 -108840.8265 299.0344 -19.6179 5.9699 761718.3777 4.7740 4.5905 PRESSURE: 2977600 319.41 -59.0757 -55.2313 -59.0761 159.305 -83.4438 -55.2309 -83.4427 351.185 GPRESSURE: 2977600 381.27 -47.1098 -76.4226 -75.4188 200.784 -28.0174 -36.2156 -149.902 330.532 PRESSAVG: 2977600 -5.20721 5.55168 -35.1577 5.55159 56.1898 -21.6035 -35.1577 -21.6035 3.45229 GPRESSAVG: 2977600 -3.65902 8.00523 -35.8118 5.48129 54.9003 -21.7579 -34.4567 -23.0363 2.76789 TIMING: 2977600 CPU: 9300.72, 0.00313495/step Wall: 9300.72, 0.00313495/step, 1.76114 hours remaining, 233.027344 MB of memory in use. ENERGY: 2977600 4020.5579 20525.7349 14368.7772 242.8557 -203009.5888 2591.5928 0.0000 0.0000 51986.1743 -109273.8961 298.7653 -161260.0704 -108913.5616 298.8577 276.6332 304.1955 761104.8502 18.1450 18.0031 PRESSURE: 2977800 31.6022 43.0999 78.1328 43.1001 -8.15772 -116.286 78.1341 -116.285 -91.6097 GPRESSURE: 2977800 113.01 61.0603 63.8023 -36.7472 -21.8153 -53.9336 145.504 -120.81 -102.228 PRESSAVG: 2977800 -4.58835 8.13201 -17.5563 8.13212 26.253 0.156418 -17.5563 0.156374 -21.7213 GPRESSAVG: 2977800 -6.17483 8.33515 -16.6639 8.1419 26.891 0.626547 -18.2289 -0.00493283 -20.957 TIMING: 2977800 CPU: 9301.34, 0.00310588/step Wall: 9301.34, 0.00310588/step, 1.74464 hours remaining, 233.027344 MB of memory in use. ENERGY: 2977800 4070.1172 20575.5350 14355.1058 221.9556 -202916.7689 2516.3801 0.0000 0.0000 51956.9924 -109220.6829 298.5975 -161177.6753 -108872.0351 299.0897 -22.7217 -3.6779 761768.6466 -0.0189 -0.0803 PRESSURE: 2978000 -281.002 -137.025 -57.1527 -137.025 -57.8585 146.342 -57.1529 146.342 17.3968 GPRESSURE: 2978000 -259.051 -143.162 -55.5532 -178.144 16.9645 205.784 -33.3941 -17.792 21.6516 PRESSAVG: 2978000 -25.7142 10.7082 -26.2442 10.7083 31.1277 9.06804 -26.2441 9.06806 6.94774 GPRESSAVG: 2978000 -25.3987 10.29 -26.5131 9.8909 30.7203 9.7856 -25.9246 8.21503 6.91943 TIMING: 2978000 CPU: 9301.96, 0.00313099/step Wall: 9301.96, 0.00313099/step, 1.75857 hours remaining, 233.027344 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: 2978000 3893.6559 20374.3320 14385.5044 235.3660 -203109.6314 2571.3692 0.0000 0.0000 52194.6074 -109454.7965 299.9631 -161649.4039 -109088.4556 299.2776 -107.1546 -73.4783 761005.0538 4.1204 4.0803 PRESSURE: 2978200 142.193 -118.686 5.87384 -118.687 -159.224 226.502 5.87372 226.502 -222.474 GPRESSURE: 2978200 101.388 -163.277 -23.5579 0.975544 -69.8479 206.072 79.8067 223.564 -176.819 PRESSAVG: 2978200 -0.656779 -41.9803 -13.3084 -41.9802 -15.4944 71.5202 -13.3084 71.5202 1.02161 GPRESSAVG: 2978200 -1.79049 -42.212 -13.4245 -39.5282 -15.699 71.3263 -15.4089 72.4668 2.19875 TIMING: 2978200 CPU: 9302.59, 0.00314351/step Wall: 9302.59, 0.00314351/step, 1.76543 hours remaining, 233.027344 MB of memory in use. ENERGY: 2978200 3898.6938 20539.0587 14381.7044 268.7936 -202890.9217 2474.0316 0.0000 0.0000 51928.1380 -109400.5017 298.4317 -161328.6396 -109045.0412 299.3232 -79.8353 -48.4261 761305.8631 -5.0432 -5.0969 PRESSURE: 2978400 -210.726 255.574 -76.4946 255.575 28.9754 -10.4064 -76.4953 -10.4066 -40.733 GPRESSURE: 2978400 -143.776 146.113 -126.912 283.106 49.5324 120.938 -209.94 -189.446 -42.3389 PRESSAVG: 2978400 3.18348 12.4002 -56.5404 12.4003 20.9853 -11.0849 -56.5405 -11.0848 -14.1895 GPRESSAVG: 2978400 4.61149 12.2109 -55.9999 11.5509 21.1416 -10.722 -54.726 -12.4896 -15.8328 TIMING: 2978400 CPU: 9303.22, 0.0031308/step Wall: 9303.22, 0.0031308/step, 1.75812 hours remaining, 233.027344 MB of memory in use. ENERGY: 2978400 4054.7241 20437.1899 14358.2194 261.2258 -202954.5344 2442.1303 0.0000 0.0000 51997.4427 -109403.6022 298.8300 -161401.0448 -109041.1758 299.0305 -74.1612 -45.5276 762242.2057 3.3264 3.3068 PRESSURE: 2978600 -7.0485 -103.319 -134.492 -103.319 -81.785 55.1305 -134.492 55.1301 -263.141 GPRESSURE: 2978600 1.08136 -50.8725 -62.4541 21.5927 25.8918 37.7102 -71.6047 26.149 -329.549 PRESSAVG: 2978600 -56.5346 13.8235 -40.832 13.8234 40.365 -50.0129 -40.832 -50.013 -6.4223 GPRESSAVG: 2978600 -56.7528 14.256 -40.0687 14.7563 39.6452 -51.1871 -42.2347 -48.1498 -6.25045 TIMING: 2978600 CPU: 9303.85, 0.0031372/step Wall: 9303.85, 0.0031372/step, 1.76154 hours remaining, 233.027344 MB of memory in use. ENERGY: 2978600 3993.5650 20476.3945 14441.5307 248.8411 -203370.4077 2716.7955 0.0000 0.0000 52088.1703 -109405.1107 299.3514 -161493.2809 -109047.7895 299.4506 -117.3248 -100.8587 761325.9978 -7.5306 -7.7860 PRESSURE: 2978800 173.734 -129.534 361.003 -129.534 89.7587 144.536 361.002 144.536 160.296 GPRESSURE: 2978800 178.536 -85.72 446.103 -90.7549 134.814 121.202 371.258 201.518 204.064 PRESSAVG: 2978800 -39.0013 -8.36264 16.605 -8.36265 12.5778 10.9415 16.605 10.9416 3.96937 GPRESSAVG: 2978800 -38.8604 -9.63194 14.8796 -9.2473 12.4635 11.2706 16.9597 10.5344 4.16197 TIMING: 2978800 CPU: 9304.47, 0.0031325/step Wall: 9304.47, 0.0031325/step, 1.75872 hours remaining, 233.027344 MB of memory in use. ENERGY: 2978800 3930.7369 20497.8011 14434.9944 228.2684 -203534.2772 2862.6216 0.0000 0.0000 52052.5225 -109527.3321 299.1466 -161579.8546 -109170.4250 299.1160 141.2630 172.4714 762396.7750 -7.4847 -7.4116 PRESSURE: 2979000 42.5218 2.09008 228.369 2.09029 80.6404 46.4716 228.37 46.4711 365.884 GPRESSURE: 2979000 -5.10264 92.8069 262.926 -104.613 189.431 21.9435 229.798 -151.321 394.99 PRESSAVG: 2979000 24.8595 -2.85605 -17.2966 -2.85602 -42.5534 12.2402 -17.2966 12.2403 0.709504 GPRESSAVG: 2979000 23.6099 -4.06767 -17.1932 -2.71902 -42.1714 11.8339 -17.93 10.667 1.24452 TIMING: 2979000 CPU: 9305.1, 0.00312447/step Wall: 9305.1, 0.00312447/step, 1.75404 hours remaining, 233.027344 MB of memory in use. ENERGY: 2979000 3898.2494 20401.7146 14385.7842 239.5975 -203127.7519 2692.7553 0.0000 0.0000 52049.5095 -109460.1414 299.1292 -161509.6509 -109081.3716 298.5920 163.0154 193.1061 762772.0717 -5.6615 -5.7723 PRESSURE: 2979200 -11.837 89.041 43.7016 89.0401 156.401 -166.289 43.701 -166.288 503.664 GPRESSURE: 2979200 50.8327 78.1649 26.446 -17.5093 247.991 -79.0315 12.0235 -135.652 449.706 PRESSAVG: 2979200 7.54847 47.8237 -29.9796 47.8238 -24.1775 4.80614 -29.9796 4.80621 -36.6823 GPRESSAVG: 2979200 7.02782 47.5375 -29.1108 47.5951 -22.9141 4.06283 -30.8748 5.17849 -37.3164 TIMING: 2979200 CPU: 9305.72, 0.00312213/step Wall: 9305.72, 0.00312213/step, 1.75255 hours remaining, 233.027344 MB of memory in use. ENERGY: 2979200 3867.5687 20480.3533 14441.9916 259.9198 -203163.8234 2739.4897 0.0000 0.0000 52117.9833 -109256.5169 299.5228 -161374.5002 -108892.4698 298.7795 216.0758 249.5100 764258.4887 -17.7705 -17.7342 PRESSURE: 2979400 206.329 325.189 -117.779 325.188 292.487 -56.6345 -117.78 -56.6338 237.065 GPRESSURE: 2979400 311.878 257.428 -101.021 298.127 317.082 -68.9747 -21.6912 -45.2798 191.826 PRESSAVG: 2979400 -5.61855 45.3524 -30.2995 45.3523 17.3088 -58.4734 -30.2995 -58.4734 -19.1232 GPRESSAVG: 2979400 -4.09326 45.244 -30.046 47.3146 14.5355 -56.9834 -27.3108 -57.7855 -17.8913 TIMING: 2979400 CPU: 9306.35, 0.00312469/step Wall: 9306.35, 0.00312469/step, 1.75382 hours remaining, 233.027344 MB of memory in use. ENERGY: 2979400 3935.4638 20485.7260 14348.7594 248.3305 -203784.0696 3125.4234 0.0000 0.0000 52332.9282 -109307.4382 300.7581 -161640.3664 -108946.4001 299.4376 245.2936 273.5952 761383.2337 -2.4777 -2.4830 PRESSURE: 2979600 124.751 -53.1234 26.4957 -53.1234 -473.198 25.3964 26.496 25.3959 31.9204 GPRESSURE: 2979600 96.6099 -145.643 23.1761 -121.999 -392.788 -28.102 -84.8519 16.8644 54.3048 PRESSAVG: 2979600 24.5269 0.362032 2.10893 0.361928 -42.6552 -4.07015 2.10896 -4.07012 26.4894 GPRESSAVG: 2979600 23.1326 1.23371 1.65506 1.41374 -40.4393 -5.00068 -0.893489 -5.12392 25.6013 TIMING: 2979600 CPU: 9306.97, 0.00311875/step Wall: 9306.97, 0.00311875/step, 1.75031 hours remaining, 233.027344 MB of memory in use. ENERGY: 2979600 3931.7921 20544.9847 14454.7392 233.2427 -203019.8914 2477.2993 0.0000 0.0000 52085.6847 -109292.1487 299.3371 -161377.8334 -108930.9520 299.1606 -105.5088 -80.6245 762620.6639 2.7871 2.7649 PRESSURE: 2979800 -16.7441 21.6942 -212.687 21.6944 563.229 1.76548 -212.688 1.76557 205.553 GPRESSURE: 2979800 18.8669 6.14244 -152.137 -5.25838 528.119 97.2932 -123.987 -1.05618 287.757 PRESSAVG: 2979800 28.9643 -38.4466 -7.07603 -38.4466 -24.8839 18.9336 -7.07596 18.9337 -5.42048 GPRESSAVG: 2979800 29.4773 -39.0102 -7.77601 -41.1128 -25.8102 20.7283 -3.67534 20.1957 -4.73885 TIMING: 2979800 CPU: 9307.59, 0.00311691/step Wall: 9307.59, 0.00311691/step, 1.74911 hours remaining, 233.027344 MB of memory in use. ENERGY: 2979800 3918.8517 20799.8125 14474.2235 241.6895 -203808.3559 3218.0955 0.0000 0.0000 51930.0473 -109225.6358 298.4427 -161155.6832 -108862.6717 299.5731 250.6792 278.2477 761550.3373 -0.4467 -0.3573 PRESSURE: 2980000 423.533 32.9919 61.2721 32.9932 -17.612 172.499 61.2718 172.497 -416.804 GPRESSURE: 2980000 402.992 -2.13717 6.67666 -76.06 73.8076 96.0341 5.63996 108.359 -404.111 PRESSAVG: 2980000 59.517 8.72465 -1.57663 8.72464 -34.5597 -15.2381 -1.57664 -15.2381 -4.10032 GPRESSAVG: 2980000 60.3243 9.20004 -1.04448 7.35652 -35.1495 -17.229 -2.27703 -16.8412 -4.25349 TIMING: 2980000 CPU: 9308.22, 0.00311729/step Wall: 9308.22, 0.00311729/step, 1.74914 hours remaining, 233.027344 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: 2980000 4007.5711 20527.4030 14410.7398 247.5916 -203223.4951 2566.8572 0.0000 0.0000 52074.9993 -109388.3330 299.2757 -161463.3323 -109028.2053 299.2892 -3.6276 24.2295 761443.3257 6.9523 6.9738 PRESSURE: 2980200 274.719 -0.00819763 6.63036 -0.00785213 -154.96 44.8835 6.62961 44.8828 6.82439 GPRESSURE: 2980200 294.537 -15.7945 -17.0833 90.7103 -112.183 40.9637 111.733 67.9797 34.35 PRESSAVG: 2980200 86.3836 37.0382 34.4431 37.0382 -62.9557 12.3589 34.4432 12.3589 -8.01139 GPRESSAVG: 2980200 87.0835 37.6268 34.8154 36.1656 -63.7448 11.5495 34.0001 13.5543 -8.01453 TIMING: 2980200 CPU: 9308.84, 0.00311732/step Wall: 9308.84, 0.00311732/step, 1.74899 hours remaining, 233.027344 MB of memory in use. ENERGY: 2980200 3970.7330 20419.0161 14500.6859 230.5081 -203520.7228 2802.3156 0.0000 0.0000 52164.8784 -109432.5858 299.7923 -161597.4642 -109067.0730 299.4662 42.1943 72.2346 761065.7384 5.1388 5.1080 LDB: ============= START OF LOAD BALANCING ============== 9321.32 LDB: ============== END OF LOAD BALANCING =============== 9321.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9321.32 LDB: ============= START OF LOAD BALANCING ============== 9321.63 LDB: Largest compute 7007 load 0.028355 is 14.5% of average load 0.195093 LDB: Average compute 0.004391 is 2.3% of average load 0.195093 LDB: TIME 9321.64 LOAD: AVG 0.195093 MAX 0.215749 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.336 MB LDB: TIME 9321.64 LOAD: AVG 0.195093 MAX 0.215749 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.535 MB LDB: TIME 9321.64 LOAD: AVG 0.195093 MAX 0.215749 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.535 MB LDB: ============== END OF LOAD BALANCING =============== 9321.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9321.64 PRESSURE: 2980400 158.914 -106.252 98.5246 -106.253 373.192 -209.083 98.525 -209.083 282.582 GPRESSURE: 2980400 201.84 -96.6012 45.0047 -42.4636 403.927 -131.553 168.992 -100.098 288.406 PRESSAVG: 2980400 51.2781 -12.3066 -1.73327 -12.3066 -56.7376 24.9946 -1.73331 24.9946 -11.2624 GPRESSAVG: 2980400 50.482 -13.4017 -1.58478 -9.09061 -53.9043 26.5181 -2.34236 25.6749 -13.161 TIMING: 2980400 CPU: 9309.48, 0.00317953/step Wall: 9309.48, 0.00317953/step, 1.78372 hours remaining, 234.253906 MB of memory in use. ENERGY: 2980400 3997.9741 20459.4271 14454.5156 256.5666 -203598.1993 2784.3788 0.0000 0.0000 52070.3084 -109575.0286 299.2488 -161645.3370 -109215.6600 299.3484 271.5628 298.0573 759704.1274 -5.5740 -5.5278 PRESSURE: 2980600 -363.117 113.141 -191.084 113.141 -30.4981 -2.85548 -191.083 -2.85515 439.394 GPRESSURE: 2980600 -261.297 27.9908 -256.509 115.551 -165.319 88.5514 -220.215 -178.39 556.519 PRESSAVG: 2980600 -14.7215 -47.1059 -38.641 -47.106 15.2734 -62.0666 -38.641 -62.0666 41.5997 GPRESSAVG: 2980600 -13.8097 -48.7531 -38.903 -48.6641 13.116 -60.3053 -39.0364 -63.6065 42.8272 TIMING: 2980600 CPU: 9310.1, 0.00313378/step Wall: 9310.1, 0.00313378/step, 1.75788 hours remaining, 234.457031 MB of memory in use. ENERGY: 2980600 3950.7920 20668.1426 14348.0853 235.5559 -203012.6343 2389.9230 0.0000 0.0000 52107.6499 -109312.4856 299.4634 -161420.1355 -108950.9066 299.1717 15.2596 43.3010 759921.4685 14.0505 14.0445 PRESSURE: 2980800 95.5557 43.2438 -53.4081 43.2448 -14.5787 -76.6545 -53.4075 -76.6548 4.0645 GPRESSURE: 2980800 188.441 103.63 0.678336 47.4679 7.84915 -32.0318 -44.2647 -22.298 -30.206 PRESSAVG: 2980800 13.2326 -26.3758 -8.32086 -26.3758 5.86639 -64.5981 -8.3209 -64.5983 -1.22561 GPRESSAVG: 2980800 13.306 -24.5214 -7.71923 -24.6692 4.87561 -67.7105 -8.52122 -63.6921 -0.397497 TIMING: 2980800 CPU: 9310.73, 0.00312628/step Wall: 9310.73, 0.00312628/step, 1.7535 hours remaining, 234.457031 MB of memory in use. ENERGY: 2980800 4010.0781 20449.6581 14376.6800 229.9962 -203208.9475 2666.6107 0.0000 0.0000 51947.1145 -109528.8098 298.5408 -161475.9243 -109154.4536 298.9541 28.3472 55.3613 761752.8252 5.9578 5.9280 PRESSURE: 2981000 139.534 -155.794 27.8241 -155.794 63.8649 -209.501 27.8252 -209.501 454.201 GPRESSURE: 2981000 134.445 -111.563 49.4239 -128.085 131.102 -184.508 150.647 -107.734 469.202 PRESSAVG: 2981000 22.3637 36.2731 17.2814 36.2732 -17.6426 -11.5466 17.2815 -11.5467 -21.3432 GPRESSAVG: 2981000 21.3611 35.045 17.6687 36.2153 -16.5603 -11.3335 19.5433 -10.0586 -21.5036 TIMING: 2981000 CPU: 9311.36, 0.00313182/step Wall: 9311.36, 0.00313182/step, 1.75643 hours remaining, 234.457031 MB of memory in use. ENERGY: 2981000 3926.7004 20528.2841 14445.7810 253.0970 -203390.0720 2860.1712 0.0000 0.0000 51884.8342 -109491.2041 298.1829 -161376.0383 -109125.7502 298.5389 219.1998 244.9163 762190.4953 -5.5407 -5.5676 PRESSURE: 2981200 -186.889 -23.2471 -170.59 -23.2476 -409.248 132.583 -170.59 132.583 -117.304 GPRESSURE: 2981200 -191.829 19.0077 -146.138 85.2715 -272.125 119.365 -83.3802 25.4561 -154.898 PRESSAVG: 2981200 11.4509 17.3744 11.6412 17.3744 -21.4485 -53.0045 11.6413 -53.0045 6.30959 GPRESSAVG: 2981200 11.1495 17.7399 12.091 18.0558 -20.7774 -52.134 9.99609 -53.9607 5.82275 TIMING: 2981200 CPU: 9311.98, 0.00312004/step Wall: 9311.98, 0.00312004/step, 1.74965 hours remaining, 234.457031 MB of memory in use. ENERGY: 2981200 4050.1993 20533.2272 14450.2701 236.3475 -203037.5485 2628.5527 0.0000 0.0000 51742.0581 -109396.8936 297.3623 -161138.9517 -109046.1628 298.9103 -237.8140 -206.2841 762605.0024 -1.2293 -1.2684 PRESSURE: 2981400 -108.868 146.391 -6.25733 146.391 -167.231 -148.013 -6.25716 -148.015 265.04 GPRESSURE: 2981400 -95.5684 25.3373 58.0146 145.823 -70.4886 -149.498 -18.0092 -113.764 243.526 PRESSAVG: 2981400 24.8835 52.1137 11.9807 52.1138 -30.2012 -2.13818 11.9806 -2.13816 5.52656 GPRESSAVG: 2981400 25.235 53.9479 12.4908 51.4019 -30.2723 -1.1903 11.2637 -3.51115 4.37633 TIMING: 2981400 CPU: 9312.6, 0.0031127/step Wall: 9312.6, 0.0031127/step, 1.74536 hours remaining, 234.457031 MB of memory in use. ENERGY: 2981400 3872.8974 20539.4946 14423.6835 249.7694 -203339.8785 2830.0522 0.0000 0.0000 52147.3484 -109276.6328 299.6915 -161423.9813 -108922.2040 299.3322 -3.6863 25.8231 762984.9771 0.0696 -0.2203 PRESSURE: 2981600 74.9136 -102.28 -15.688 -102.28 111.893 36.8471 -15.6887 36.8467 -291.292 GPRESSURE: 2981600 77.4439 -125.759 48.1308 -83.1663 148.231 -34.3887 -144.524 62.9128 -221.129 PRESSAVG: 2981600 8.03866 -20.8894 11.725 -20.8894 -9.59426 2.56406 11.725 2.56405 -4.30499 GPRESSAVG: 2981600 8.00048 -22.2571 12.4608 -19.6185 -10.0651 0.993219 11.3425 4.26479 -4.2111 TIMING: 2981600 CPU: 9313.23, 0.00311415/step Wall: 9313.23, 0.00311416/step, 1.746 hours remaining, 234.457031 MB of memory in use. ENERGY: 2981600 3954.7439 20493.6239 14443.9191 263.8638 -204012.1765 3351.9687 0.0000 0.0000 52119.7188 -109384.3383 299.5327 -161504.0572 -109018.3897 299.3983 -34.8285 1.5155 761948.4180 -1.9535 -2.0919 PRESSURE: 2981800 216.98 -0.190068 137.003 -0.190278 71.6529 144.689 137.003 144.689 321.402 GPRESSURE: 2981800 292.427 25.1725 149.709 -73.0807 37.335 148.148 190.501 156.893 365.65 PRESSAVG: 2981800 30.6194 -23.3247 -1.39875 -23.3246 -33.2508 9.90761 -1.39874 9.9076 20.3452 GPRESSAVG: 2981800 29.3897 -22.6292 -1.7689 -24.8146 -33.2865 10.8969 -0.663462 9.17109 21.8592 TIMING: 2981800 CPU: 9313.85, 0.00312081/step Wall: 9313.85, 0.00312081/step, 1.74956 hours remaining, 234.457031 MB of memory in use. ENERGY: 2981800 3894.8149 20507.0811 14423.9014 231.8883 -203334.5386 2931.6360 0.0000 0.0000 51845.3354 -109499.8816 297.9559 -161345.2170 -109138.6210 299.1623 203.3449 231.8039 760916.7468 5.9046 5.9875 PRESSURE: 2982000 -15.2732 -144.176 166.138 -144.177 193.919 -11.6488 166.137 -11.6477 -264.207 GPRESSURE: 2982000 16.9097 -123.577 225.009 10.3419 144.156 9.74574 5.52203 88.413 -175.176 PRESSAVG: 2982000 22.2224 -1.29628 39.5527 -1.29618 10.2497 -4.38477 39.5527 -4.38487 14.17 GPRESSAVG: 2982000 23.2247 -1.82774 39.0857 -1.31044 9.0632 -4.21274 39.4388 -4.66465 14.1603 TIMING: 2982000 CPU: 9314.47, 0.00310319/step Wall: 9314.47, 0.00310319/step, 1.73951 hours remaining, 234.457031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2982000 3999.7295 20420.4612 14411.8649 242.7679 -203545.8026 2876.8493 0.0000 0.0000 52275.9481 -109318.1817 300.4306 -161594.1298 -108948.2458 299.4311 -28.5203 -4.7033 761186.3437 15.5474 15.4827 PRESSURE: 2982200 -356.251 -25.6162 108.545 -25.6175 101.379 -204.714 108.545 -204.714 177.203 GPRESSURE: 2982200 -277.939 19.0705 142.259 71.8306 115.052 -135.532 150.317 -218.701 154.45 PRESSAVG: 2982200 -27.5668 -16.3817 35.572 -16.3816 -6.88731 10.6243 35.572 10.6242 -3.20395 GPRESSAVG: 2982200 -25.7397 -17.2847 34.5553 -16.4432 -7.86575 11.7332 36.5057 12.5422 -4.25075 TIMING: 2982200 CPU: 9315.1, 0.00312737/step Wall: 9315.1, 0.00312737/step, 1.75289 hours remaining, 234.457031 MB of memory in use. ENERGY: 2982200 3938.3607 20654.6117 14419.8175 244.0349 -203049.5429 2417.7971 0.0000 0.0000 51975.6800 -109399.2409 298.7049 -161374.9209 -109037.6066 299.2571 -25.8898 -2.8122 762496.1629 -12.5527 -12.6187 PRESSURE: 2982400 -87.4918 -178.58 -15.105 -178.579 -18.5993 -40.0785 -15.1057 -40.0774 -28.141 GPRESSURE: 2982400 -155.969 -75.0559 23.166 -161.149 88.5038 -102.567 -41.8203 -74.0879 9.56576 PRESSAVG: 2982400 61.273 -42.5722 74.8959 -42.5722 -21.3888 37.3291 74.8959 37.3291 -5.89515 GPRESSAVG: 2982400 57.3348 -40.632 76.2292 -43.4532 -18.6035 34.9817 75.9882 36.3691 -4.99084 TIMING: 2982400 CPU: 9315.72, 0.0031305/step Wall: 9315.72, 0.0031305/step, 1.75447 hours remaining, 234.457031 MB of memory in use. ENERGY: 2982400 3895.4703 20503.2624 14364.0275 237.9407 -203489.2783 2736.7342 0.0000 0.0000 52134.8013 -109617.0420 299.6194 -161751.8433 -109246.5602 298.8704 -44.7440 -19.2997 761834.6514 11.3297 11.2468 PRESSURE: 2982600 -335.283 6.91519 44.306 6.91456 113.909 114.831 44.3066 114.831 -81.4384 GPRESSURE: 2982600 -292.326 -89.871 153.981 1.17449 152.4 53.5121 82.8464 52.495 -81.6033 PRESSAVG: 2982600 -11.3766 7.95555 56.0618 7.95565 -20.6959 17.7375 56.0618 17.7376 -5.0452 GPRESSAVG: 2982600 -9.40313 5.1387 56.9153 9.06621 -22.1801 17.1107 54.9275 17.2394 -5.38617 TIMING: 2982600 CPU: 9316.35, 0.00313269/step Wall: 9316.35, 0.00313269/step, 1.75552 hours remaining, 234.457031 MB of memory in use. ENERGY: 2982600 3882.4593 20454.6973 14359.5568 238.7257 -202907.8151 2511.4122 0.0000 0.0000 51947.9956 -109512.9682 298.5458 -161460.9637 -109143.2584 298.6673 -100.9375 -73.8432 762949.5094 -12.3726 -12.3231 PRESSURE: 2982800 240.554 -5.91218 35.6074 -5.91256 -407.179 -100.572 35.6084 -100.571 -435.969 GPRESSURE: 2982800 180.941 -21.3503 -15.0465 -50.3989 -248.941 -173.244 -68.4369 -43.9455 -440.421 PRESSAVG: 2982800 -31.2597 45.4813 9.77452 45.4814 24.8978 -13.1001 9.77449 -13.1 8.05144 GPRESSAVG: 2982800 -31.8995 48.3492 7.93435 44.4094 26.121 -13.4769 7.70403 -11.6713 8.12587 TIMING: 2982800 CPU: 9316.98, 0.00313414/step Wall: 9316.98, 0.00313414/step, 1.75616 hours remaining, 234.457031 MB of memory in use. ENERGY: 2982800 3977.8390 20355.9256 14394.8800 243.9353 -202953.4713 2419.1892 0.0000 0.0000 51936.1799 -109625.5222 298.4779 -161561.7021 -109263.7490 298.8305 -200.8648 -169.4738 762475.8091 0.5632 0.7825 PRESSURE: 2983000 -369.514 -94.0712 -43.3848 -94.0711 -522.703 -73.3779 -43.3854 -73.3765 1.17482 GPRESSURE: 2983000 -251.616 -58.0424 -82.5655 -114.182 -465.809 71.7679 -1.93928 -87.0869 -73.1322 PRESSAVG: 2983000 -24.0687 -29.091 -2.33736 -29.091 -1.76593 -37.9756 -2.33738 -37.9757 -14.8215 GPRESSAVG: 2983000 -23.0583 -29.4326 -0.143203 -29.9945 -2.4231 -36.781 -0.935946 -38.5767 -14.4033 TIMING: 2983000 CPU: 9317.6, 0.00313896/step Wall: 9317.6, 0.00313896/step, 1.75869 hours remaining, 234.457031 MB of memory in use. ENERGY: 2983000 4001.8961 20357.5335 14439.8591 244.4884 -203037.8470 2308.3457 0.0000 0.0000 52064.8767 -109620.8475 299.2176 -161685.7242 -109243.0160 298.7920 -297.0138 -263.5188 761990.1712 -13.5520 -13.2949 PRESSURE: 2983200 32.9025 -157.837 125.688 -157.837 -285.176 -92.9516 125.688 -92.9515 -70.9525 GPRESSURE: 2983200 -16.12 -142.189 105.764 -132.765 -229.655 -163.637 81.2381 -42.2875 -6.56363 PRESSAVG: 2983200 58.1701 -34.0694 -29.8936 -34.0694 -10.7394 -4.95857 -29.8936 -4.9586 4.76994 GPRESSAVG: 2983200 57.8835 -36.0425 -29.233 -32.1347 -11.0809 -5.77363 -28.6431 -4.17676 5.39929 TIMING: 2983200 CPU: 9318.23, 0.00315383/step Wall: 9318.23, 0.00315383/step, 1.76684 hours remaining, 234.457031 MB of memory in use. ENERGY: 2983200 3994.2762 20606.2554 14465.2791 257.0599 -202866.4565 2365.7042 0.0000 0.0000 51850.2653 -109327.6164 297.9842 -161177.8817 -108975.5990 298.6882 -107.7419 -84.1129 760903.8890 17.4002 17.4007 PRESSURE: 2983400 -10.415 72.2709 7.45653 72.2701 -57.8298 6.71721 7.45685 6.71584 -654.186 GPRESSURE: 2983400 67.5076 161.15 52.2744 62.4412 -77.203 34.0986 28.3891 -60.7683 -636.585 PRESSAVG: 2983400 20.3174 10.9105 14.5493 10.9105 -23.5382 -20.3774 14.5493 -20.3775 -5.14701 GPRESSAVG: 2983400 20.0656 13.2973 13.307 10.9327 -23.2954 -19.9118 14.9749 -20.3589 -5.4467 TIMING: 2983400 CPU: 9318.86, 0.0031415/step Wall: 9318.86, 0.0031415/step, 1.75976 hours remaining, 234.457031 MB of memory in use. ENERGY: 2983400 4003.7166 20422.7168 14440.0647 254.8410 -202725.3530 2199.8402 0.0000 0.0000 52394.1596 -109010.0140 301.1100 -161404.1736 -108644.1884 299.4048 -240.8102 -215.4268 761562.8059 -2.7893 -2.8922 PRESSURE: 2983600 202.509 187.429 -97.435 187.429 35.5062 -113.704 -97.4351 -113.703 -402.199 GPRESSURE: 2983600 194.068 275.723 -128.885 150.032 85.8264 -73.1212 -189.418 49.1946 -354.81 PRESSAVG: 2983600 15.1574 35.474 5.00839 35.4741 -40.5373 51.7302 5.00833 51.7303 -33.6408 GPRESSAVG: 2983600 15.9357 34.129 3.8268 36.324 -39.8144 53.0975 7.59774 50.6409 -34.4772 TIMING: 2983600 CPU: 9319.49, 0.00315652/step Wall: 9319.49, 0.00315652/step, 1.768 hours remaining, 234.457031 MB of memory in use. ENERGY: 2983600 4036.9048 20486.4532 14405.7433 259.3788 -203368.8466 2788.5931 0.0000 0.0000 52121.7427 -109270.0306 299.5444 -161391.7733 -108916.9170 299.8969 -54.7278 -24.9719 760759.7713 -19.6736 -19.4520 PRESSURE: 2983800 175.591 61.2361 -82.8731 61.2357 112.18 132.397 -82.8732 132.397 -73.0868 GPRESSURE: 2983800 216.896 -99.3 -174.613 69.7332 187.975 115.515 -156.466 54.7964 -82.1155 PRESSAVG: 2983800 33.2928 -33.3362 -22.385 -33.3362 -8.45239 -0.95794 -22.385 -0.957909 29.2807 GPRESSAVG: 2983800 32.7184 -33.0591 -21.8508 -34.7121 -7.79478 -0.856203 -24.219 0.636811 29.5627 TIMING: 2983800 CPU: 9320.12, 0.00314386/step Wall: 9320.12, 0.00314386/step, 1.76073 hours remaining, 234.457031 MB of memory in use. ENERGY: 2983800 3926.3605 20596.4769 14419.4869 269.1369 -203201.9129 2602.5835 0.0000 0.0000 51951.0783 -109436.7899 298.5636 -161387.8682 -109075.0685 299.2932 71.5614 107.5853 760862.0083 18.0404 18.1621 PRESSURE: 2984000 -346.211 -151.813 71.2765 -151.814 -139.502 86.4838 71.2765 86.4851 -251.922 GPRESSURE: 2984000 -298.911 -206.362 91.8498 -115.421 -58.1281 -23.8533 128.191 81.5842 -272.896 PRESSAVG: 2984000 -24.287 -21.5929 20.8761 -21.5929 43.6886 16.2511 20.8761 16.251 -18.9554 GPRESSAVG: 2984000 -23.754 -22.2617 20.6731 -21.5152 43.1013 15.0163 21.1515 15.1443 -19.0633 TIMING: 2984000 CPU: 9320.75, 0.00313297/step Wall: 9320.75, 0.00313297/step, 1.75447 hours remaining, 234.457031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2984000 3983.9799 20451.5503 14405.1513 245.3491 -203141.6086 2610.6519 0.0000 0.0000 52114.8980 -109330.0281 299.5050 -161444.9261 -108962.8602 299.0441 -245.8785 -209.9784 763974.9202 0.1487 0.0947 PRESSURE: 2984200 -39.1387 -193.893 106.817 -193.893 48.8778 -62.3924 106.816 -62.3919 565.696 GPRESSURE: 2984200 -11.6354 -151.489 54.7769 -123.213 97.9337 -153.34 132.733 -73.203 569.529 PRESSAVG: 2984200 21.8288 -4.54336 19.5613 -4.54338 -85.187 -22.6985 19.5612 -22.6984 24.8586 GPRESSAVG: 2984200 21.0149 -6.09557 21.6232 -3.12388 -84.388 -20.9889 18.2177 -23.2634 24.0956 TIMING: 2984200 CPU: 9321.38, 0.00313483/step Wall: 9321.38, 0.00313483/step, 1.75533 hours remaining, 234.457031 MB of memory in use. ENERGY: 2984200 3928.1095 20452.0744 14457.7576 229.3338 -202823.7349 2253.5368 0.0000 0.0000 52242.0809 -109260.8418 300.2360 -161502.9227 -108894.5210 299.2444 191.8118 218.6091 760034.0755 -12.8332 -13.0925 LDB: ============= START OF LOAD BALANCING ============== 9333.85 LDB: ============== END OF LOAD BALANCING =============== 9333.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9333.86 LDB: ============= START OF LOAD BALANCING ============== 9334.17 LDB: Largest compute 7072 load 0.029661 is 15.2% of average load 0.195124 LDB: Average compute 0.004355 is 2.2% of average load 0.195124 LDB: TIME 9334.17 LOAD: AVG 0.195124 MAX 0.214559 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.766 MB LDB: TIME 9334.17 LOAD: AVG 0.195124 MAX 0.214559 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.766 MB LDB: TIME 9334.17 LOAD: AVG 0.195124 MAX 0.214559 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.766 MB LDB: ============== END OF LOAD BALANCING =============== 9334.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9334.18 PRESSURE: 2984400 -226.642 275.042 103.178 275.043 181.86 198.447 103.178 198.447 60.0985 GPRESSURE: 2984400 -157.402 264.018 115.03 217.598 155.652 212.416 131.687 240.339 82.1766 PRESSAVG: 2984400 17.5124 4.0866 54.001 4.08662 -24.6157 -3.78942 54.001 -3.78951 2.92584 GPRESSAVG: 2984400 17.0144 6.34916 51.478 1.29411 -26.8461 -4.65627 54.8301 -3.05582 5.56454 TIMING: 2984400 CPU: 9322.01, 0.0031883/step Wall: 9322.01, 0.0031883/step, 1.78509 hours remaining, 234.253906 MB of memory in use. ENERGY: 2984400 3964.7123 20484.5423 14418.9313 245.2185 -202987.0892 2555.8580 0.0000 0.0000 52041.8954 -109275.9314 299.0855 -161317.8268 -108908.6598 299.3173 5.1052 26.8089 762424.5051 -1.3925 -1.4224 PRESSURE: 2984600 -14.2761 57.1584 180.518 57.1589 -53.537 -107.109 180.517 -107.109 110.17 GPRESSURE: 2984600 16.2398 -54.7386 255.101 114.741 -18.1029 -149.056 203.826 -233.332 150.117 PRESSAVG: 2984600 18.1284 -4.87393 19.0992 -4.87394 -15.6643 -24.0755 19.0993 -24.0754 28.2506 GPRESSAVG: 2984600 19.0179 -7.33924 20.5667 -1.7168 -13.8215 -24.2878 19.8581 -23.8732 25.8616 TIMING: 2984600 CPU: 9322.64, 0.0031251/step Wall: 9322.64, 0.0031251/step, 1.74953 hours remaining, 234.457031 MB of memory in use. ENERGY: 2984600 4027.3810 20247.8037 14454.5468 229.2771 -203336.2341 2783.2265 0.0000 0.0000 52258.8729 -109335.1262 300.3325 -161593.9990 -108974.3199 299.5404 14.1190 49.4179 762230.9323 10.2383 10.3527 PRESSURE: 2984800 -43.7449 63.3472 82.8865 63.3479 68.0605 86.6264 82.8866 86.6254 -163.235 GPRESSURE: 2984800 24.6202 -31.2447 -8.72862 55.0288 72.364 59.3783 -46.3038 115.934 -141.903 PRESSAVG: 2984800 -11.2481 53.1897 -1.43863 53.1896 -42.5112 33.9508 -1.4386 33.9507 -28.91 GPRESSAVG: 2984800 -10.5999 53.3718 -2.95888 52.4179 -43.5974 34.0245 -3.00758 33.4425 -28.2614 TIMING: 2984800 CPU: 9323.26, 0.00311934/step Wall: 9323.26, 0.00311934/step, 1.74614 hours remaining, 234.457031 MB of memory in use. ENERGY: 2984800 3942.1081 20408.0026 14433.4487 222.0823 -202891.5036 2640.2297 0.0000 0.0000 51880.4796 -109365.1525 298.1578 -161245.6321 -109005.5570 298.8570 -46.3064 -14.9731 762723.1975 -27.5565 -27.4862 PRESSURE: 2985000 -270.738 33.2841 -27.4604 33.285 116.244 -84.8264 -27.4605 -84.8267 -194.188 GPRESSURE: 2985000 -225.596 19.3693 20.8694 86.348 179.393 -6.2784 -29.6481 -240.327 -216.273 PRESSAVG: 2985000 -6.99784 85.9124 15.5214 85.9123 9.35965 -25.8917 15.5214 -25.8917 -8.44774 GPRESSAVG: 2985000 -7.41587 87.0311 15.7627 85.1191 8.93651 -24.2058 16.6406 -26.7736 -7.58566 TIMING: 2985000 CPU: 9323.89, 0.00312129/step Wall: 9323.89, 0.00312129/step, 1.74705 hours remaining, 234.457031 MB of memory in use. ENERGY: 2985000 3971.1858 20477.8607 14430.2966 239.3723 -203065.2064 2399.1884 0.0000 0.0000 52182.5313 -109364.7712 299.8937 -161547.3025 -108991.5951 298.8124 -116.2273 -87.4919 761160.2320 -2.0286 -2.0217 PRESSURE: 2985200 58.5087 126.939 -168.158 126.939 307.961 -68.141 -168.159 -68.1411 11.9024 GPRESSURE: 2985200 148.153 124.504 -137.42 153.435 251.417 -79.1894 -166.213 -109.23 56.6595 PRESSAVG: 2985200 -20.4515 61.7874 19.7737 61.7874 13.5315 -37.8729 19.7737 -37.8729 -10.1406 GPRESSAVG: 2985200 -21.4036 62.5911 19.6934 62.0425 14.6148 -39.9193 17.6299 -38.5703 -10.3053 TIMING: 2985200 CPU: 9324.51, 0.00312384/step Wall: 9324.51, 0.00312384/step, 1.74831 hours remaining, 234.457031 MB of memory in use. ENERGY: 2985200 3998.7115 20414.3733 14438.1504 245.6827 -203210.7554 2821.2065 0.0000 0.0000 52206.2138 -109086.4173 300.0298 -161292.6311 -108723.0259 299.3346 126.1239 152.0762 762452.6777 -5.6869 -5.6980 PRESSURE: 2985400 -84.5384 -25.317 -108.539 -25.3167 7.52332 136.014 -108.537 136.015 337.875 GPRESSURE: 2985400 -74.2216 33.1772 -70.065 -36.3285 102.566 94.5071 62.14 84.3404 308.577 PRESSAVG: 2985400 18.3417 -9.06988 9.42956 -9.06991 -24.2744 13.5895 9.42955 13.5895 -4.29196 GPRESSAVG: 2985400 18.9819 -9.17692 9.6009 -8.64078 -23.8544 14.2606 11.5033 13.2482 -5.08127 TIMING: 2985400 CPU: 9325.14, 0.00312906/step Wall: 9325.14, 0.00312906/step, 1.75105 hours remaining, 234.457031 MB of memory in use. ENERGY: 2985400 4018.3119 20574.7667 14375.7178 227.1446 -203066.9353 2643.2803 0.0000 0.0000 52048.8333 -109178.8807 299.1254 -161227.7139 -108811.1018 299.3549 86.9531 112.3073 761958.0186 -3.4082 -3.3179 PRESSURE: 2985600 -295.333 105.902 152.033 105.902 -146.395 -60.8482 152.033 -60.8486 -279.193 GPRESSURE: 2985600 -263.423 147.661 154.16 142.989 -135.435 -82.6243 81.1536 121.022 -239.718 PRESSAVG: 2985600 -10.2481 -33.1889 -25.9325 -33.1889 18.1985 21.3054 -25.9326 21.3054 -27.5485 GPRESSAVG: 2985600 -10.6246 -32.5664 -25.6897 -32.5137 17.1002 21.9448 -28.2772 23.1229 -26.1734 TIMING: 2985600 CPU: 9325.76, 0.00311989/step Wall: 9325.76, 0.00311989/step, 1.74575 hours remaining, 234.457031 MB of memory in use. ENERGY: 2985600 4007.1207 20536.2070 14453.5657 263.6755 -202895.7633 2431.5364 0.0000 0.0000 51896.2345 -109307.4237 298.2484 -161203.6582 -108952.0688 298.9504 -240.3070 -212.8585 762656.8652 -6.5327 -6.5659 PRESSURE: 2985800 -141.118 81.1887 -52.6235 81.1889 -110.463 -190.346 -52.6231 -190.347 -68.5013 GPRESSURE: 2985800 -70.5223 35.5467 23.2128 73.6404 -108.304 -207.462 -141.43 -188.554 -63.7831 PRESSAVG: 2985800 -19.3568 24.518 13.6861 24.518 -2.08643 -28.337 13.6861 -28.337 -21.0818 GPRESSAVG: 2985800 -19.344 24.3567 14.7876 21.5527 -1.31879 -28.8866 14.601 -27.5267 -21.2885 TIMING: 2985800 CPU: 9326.39, 0.0031431/step Wall: 9326.39, 0.0031431/step, 1.75856 hours remaining, 234.457031 MB of memory in use. ENERGY: 2985800 3911.1170 20531.9764 14458.5210 248.0699 -202892.2544 2416.7654 0.0000 0.0000 52074.4851 -109251.3195 299.2728 -161325.8047 -108879.5895 298.7395 -106.6940 -80.8698 762556.1552 -14.1750 -13.9838 PRESSURE: 2986000 172.563 19.47 -74.6386 19.4686 -147.211 98.9743 -74.6377 98.9735 -90.8388 GPRESSURE: 2986000 212.553 88.3887 -91.5466 57.1656 -51.5544 67.763 -86.2857 154.57 -135.769 PRESSAVG: 2986000 49.1275 22.8602 40.8681 22.8602 -71.8855 -32.0318 40.8681 -32.0318 -8.97531 GPRESSAVG: 2986000 50.6874 21.5406 38.8694 24.7272 -71.2947 -30.5669 40.0366 -33.7313 -10.3635 TIMING: 2986000 CPU: 9327.02, 0.00313125/step Wall: 9327.02, 0.00313125/step, 1.75176 hours remaining, 234.457031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2986000 3992.8607 20471.5955 14404.5231 236.0333 -202970.4591 2666.9352 0.0000 0.0000 52145.2492 -109053.2621 299.6795 -161198.5113 -108698.8248 299.3706 -21.8289 8.4099 761878.6942 -10.5777 -10.3236 PRESSURE: 2986200 -246.003 -62.1641 -43.1718 -62.1648 45.3163 42.5556 -43.1717 42.5549 -397.758 GPRESSURE: 2986200 -328.255 107.93 -24.0575 19.9826 154.3 221.889 -55.8929 -9.20679 -319.259 PRESSAVG: 2986200 -14.3717 21.4558 -2.72019 21.4558 13.999 22.3111 -2.72015 22.3111 17.5121 GPRESSAVG: 2986200 -15.1044 22.4965 0.0616474 21.7601 13.0325 19.6698 -2.46331 22.9421 19.3985 TIMING: 2986200 CPU: 9327.64, 0.00312708/step Wall: 9327.64, 0.00312708/step, 1.74926 hours remaining, 234.457031 MB of memory in use. ENERGY: 2986200 3990.2180 20522.4752 14434.7647 247.9840 -202835.4484 2412.3840 0.0000 0.0000 52172.6205 -109055.0019 299.8368 -161227.6225 -108696.1364 299.4113 -199.4815 -164.4045 762234.1629 5.7131 5.7755 PRESSURE: 2986400 120.25 -23.6343 218.688 -23.6333 45.279 72.845 218.689 72.8444 281.714 GPRESSURE: 2986400 103.333 -69.3247 245.507 -54.8048 65.8153 -21.2399 232.707 146.583 370.974 PRESSAVG: 2986400 -8.88349 31.6877 -13.244 31.6877 8.90291 -54.7058 -13.244 -54.7058 42.7454 GPRESSAVG: 2986400 -8.98992 31.7179 -14.6731 29.6182 9.61409 -52.9304 -13.6643 -53.0748 42.2265 TIMING: 2986400 CPU: 9328.27, 0.00313847/step Wall: 9328.27, 0.00313847/step, 1.75545 hours remaining, 234.457031 MB of memory in use. ENERGY: 2986400 3986.6659 20444.5895 14421.1918 241.7099 -203195.2471 2852.1517 0.0000 0.0000 52141.7473 -109107.1912 299.6593 -161248.9384 -108751.4516 299.3962 149.0812 180.0408 760511.3705 14.2550 14.2836 PRESSURE: 2986600 -122.907 180.51 84.8247 180.509 -94.8762 -116.501 84.8243 -116.501 325.019 GPRESSURE: 2986600 -103.356 116.934 146.461 50.0629 -59.5811 -141.125 63.8584 -79.8537 338.534 PRESSAVG: 2986600 -25.0551 28.1502 0.485577 28.1502 -9.72056 -2.54544 0.485515 -2.54533 -7.96883 GPRESSAVG: 2986600 -24.6907 26.5349 -0.267158 30.4433 -10.1633 -3.71634 1.1936 -3.98812 -8.56175 TIMING: 2986600 CPU: 9328.89, 0.00312447/step Wall: 9328.89, 0.00312447/step, 1.74745 hours remaining, 234.457031 MB of memory in use. ENERGY: 2986600 4028.5925 20454.2415 14435.5538 250.4159 -202851.6040 2500.1000 0.0000 0.0000 52203.7484 -108978.9519 300.0157 -161182.7003 -108615.4906 299.6011 35.7455 58.5323 762127.0155 -14.2482 -14.4719 PRESSURE: 2986800 -302.887 -199.373 -75.548 -199.373 100.525 179.718 -75.5486 179.718 66.0568 GPRESSURE: 2986800 -252.635 -205.13 -67.9051 -120.69 140.201 67.3571 -31.9032 0.950851 72.6463 PRESSAVG: 2986800 -29.8929 43.1532 17.9156 43.1531 34.5008 -30.7523 17.9156 -30.7523 -16.6252 GPRESSAVG: 2986800 -31.0731 43.9439 18.2652 42.3216 34.4825 -31.519 16.4528 -31.556 -16.0183 TIMING: 2986800 CPU: 9329.52, 0.00312/step Wall: 9329.52, 0.00312/step, 1.74478 hours remaining, 234.457031 MB of memory in use. ENERGY: 2986800 3913.6915 20559.9167 14430.8310 252.0040 -203038.3947 2760.5374 0.0000 0.0000 51991.3182 -109130.0960 298.7948 -161121.4142 -108771.1167 299.3868 -45.4351 -13.2626 761904.7716 -4.0058 -4.2030 PRESSURE: 2987000 93.522 21.3169 203.487 21.3171 -310.784 -106.856 203.488 -106.855 -270.175 GPRESSURE: 2987000 36.7718 15.3222 290.817 53.9432 -254.41 -183.738 162.972 49.7741 -188.056 PRESSAVG: 2987000 9.20703 -9.73934 31.2103 -9.73924 2.50388 -29.8601 31.2103 -29.8601 -10.671 GPRESSAVG: 2987000 9.00798 -9.09124 31.6618 -9.49459 3.27771 -29.4178 31.7337 -31.0701 -11.2856 TIMING: 2987000 CPU: 9330.15, 0.00313822/step Wall: 9330.15, 0.00313822/step, 1.75479 hours remaining, 234.457031 MB of memory in use. ENERGY: 2987000 4055.1281 20558.9682 14403.7404 241.9299 -202836.8682 2259.9193 0.0000 0.0000 52161.5121 -109155.6702 299.7729 -161317.1823 -108797.3187 299.4957 -162.4790 -135.2317 760747.9906 0.3466 0.3333 PRESSURE: 2987200 88.0622 33.2798 56.9614 33.2797 -284.198 -95.0919 56.961 -95.0917 -10.489 GPRESSURE: 2987200 10.253 86.1087 52.2776 -30.1586 -185.757 -151.1 38.4646 -12.8923 59.0906 PRESSAVG: 2987200 -40.5681 43.2015 -4.6624 43.2015 60.7159 -41.0356 -4.66245 -41.0356 11.2961 GPRESSAVG: 2987200 -40.5255 42.6656 -3.87744 42.4692 60.0812 -40.6716 -1.96696 -38.8399 11.6558 TIMING: 2987200 CPU: 9330.77, 0.00313166/step Wall: 9330.77, 0.00313166/step, 1.75095 hours remaining, 234.457031 MB of memory in use. ENERGY: 2987200 4026.1677 20469.8601 14463.5991 240.3815 -202996.3716 2368.6420 0.0000 0.0000 51969.5883 -109458.1330 298.6699 -161427.7213 -109099.4146 299.5833 -68.8749 -38.8044 761583.5481 10.4813 10.4039 PRESSURE: 2987400 -367.636 130.728 23.9712 130.728 38.4016 -64.1083 23.9721 -64.1073 -324.114 GPRESSURE: 2987400 -290.695 127.828 -49.1946 178.458 -76.266 -20.2596 -146.643 -24.6613 -215.797 PRESSAVG: 2987400 -33.2095 40.0406 -14.2826 40.0406 25.3161 -11.536 -14.2826 -11.536 0.17467 GPRESSAVG: 2987400 -33.5924 39.3003 -15.083 39.2489 24.7125 -12.2936 -17.1353 -11.0554 0.971113 TIMING: 2987400 CPU: 9331.4, 0.0031249/step Wall: 9331.4, 0.0031249/step, 1.74699 hours remaining, 234.457031 MB of memory in use. ENERGY: 2987400 4066.3166 20598.4899 14431.8469 258.3181 -203541.0294 2630.0899 0.0000 0.0000 51923.1574 -109632.8108 298.4031 -161555.9682 -109270.2799 298.5365 -217.7825 -194.2525 762596.0484 -2.5729 -2.6363 PRESSURE: 2987600 32.8472 11.0927 -79.6046 11.0933 41.8392 134.392 -79.6047 134.391 113.825 GPRESSURE: 2987600 137.8 1.41526 -131.236 17.8894 70.1781 108.857 -76.1859 133.764 56.6535 PRESSAVG: 2987600 -29.211 17.5542 17.4065 17.5542 37.7442 13.6807 17.4065 13.6807 -6.24833 GPRESSAVG: 2987600 -27.7726 18.2306 17.4027 19.0788 37.1175 14.3616 16.6688 12.1556 -7.96747 TIMING: 2987600 CPU: 9332.02, 0.00312591/step Wall: 9332.02, 0.00312591/step, 1.74738 hours remaining, 234.457031 MB of memory in use. ENERGY: 2987600 3990.4847 20480.3251 14470.4876 251.5742 -203327.0887 2622.8329 0.0000 0.0000 52084.6012 -109426.7830 299.3309 -161511.3842 -109070.8452 299.0027 62.8371 88.2104 761642.8590 0.7616 0.4591 PRESSURE: 2987800 35.7125 60.7146 120.001 60.7144 29.4582 59.6265 120.001 59.6261 -61.4605 GPRESSURE: 2987800 44.8908 122.831 5.11541 118.326 33.6782 47.5048 21.1457 -48.8293 17.9113 PRESSAVG: 2987800 19.4076 54.0696 35.7407 54.0696 12.173 53.6306 35.7407 53.6307 -7.80993 GPRESSAVG: 2987800 17.7644 55.1355 36.5196 51.9221 14.4251 54.6965 37.5303 53.3222 -8.07021 TIMING: 2987800 CPU: 9332.65, 0.00313027/step Wall: 9332.65, 0.00313027/step, 1.74965 hours remaining, 234.457031 MB of memory in use. ENERGY: 2987800 3976.3169 20478.9145 14386.9951 260.0630 -203617.9914 2736.2919 0.0000 0.0000 52033.2318 -109746.1783 299.0357 -161779.4100 -109387.2382 299.2899 1.2367 32.1601 760750.2901 7.9235 8.0398 PRESSURE: 2988000 36.5104 -50.3685 -81.3435 -50.3687 106.93 137.168 -81.3435 137.168 74.544 GPRESSURE: 2988000 39.3086 -111.205 -83.5761 46.1931 171.449 261.426 -159.292 167.644 95.4226 PRESSAVG: 2988000 -9.57438 -4.85796 -11.0948 -4.85798 1.30858 36.8612 -11.0948 36.8612 -4.07524 GPRESSAVG: 2988000 -8.91088 -7.56499 -12.2503 -1.96478 -0.132614 35.5494 -10.8431 37.5625 -3.3388 TIMING: 2988000 CPU: 9333.27, 0.00310962/step Wall: 9333.27, 0.00310962/step, 1.73793 hours remaining, 234.457031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2988000 3961.5274 20321.0222 14458.3745 258.1794 -203611.9591 2759.1042 0.0000 0.0000 52046.7843 -109806.9671 299.1136 -161853.7514 -109439.8071 298.4593 72.6615 102.0601 760426.9369 -4.1137 -4.1274 PRESSURE: 2988200 -78.4467 31.2503 -45.8689 31.2503 -180.596 33.146 -45.8684 33.1456 -521.994 GPRESSURE: 2988200 13.0572 -20.755 -26.3235 44.3676 -188.311 20.6506 -33.2395 11.6666 -518.791 PRESSAVG: 2988200 14.7521 7.86184 -8.50547 7.86184 -39.8179 37.7454 -8.50544 37.7454 8.5425 GPRESSAVG: 2988200 14.7356 9.47738 -9.01762 7.4191 -40.3023 37.6161 -9.21902 37.0829 8.79151 TIMING: 2988200 CPU: 9333.9, 0.00312594/step Wall: 9333.9, 0.00312594/step, 1.74688 hours remaining, 234.457031 MB of memory in use. ENERGY: 2988200 3917.1998 20505.4465 14517.7624 259.3443 -203320.3998 2305.2083 0.0000 0.0000 51907.7818 -109907.6566 298.3147 -161815.4384 -109547.1207 298.2626 -260.3454 -231.3480 759573.4375 -5.5078 -5.5917 LDB: ============= START OF LOAD BALANCING ============== 9346.37 LDB: ============== END OF LOAD BALANCING =============== 9346.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9346.38 LDB: ============= START OF LOAD BALANCING ============== 9346.69 LDB: Largest compute 7030 load 0.029250 is 15.0% of average load 0.195112 LDB: Average compute 0.004366 is 2.2% of average load 0.195112 LDB: TIME 9346.69 LOAD: AVG 0.195112 MAX 0.215958 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.023 MB LDB: TIME 9346.69 LOAD: AVG 0.195112 MAX 0.215958 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.027 MB LDB: TIME 9346.69 LOAD: AVG 0.195112 MAX 0.215958 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.027 MB LDB: ============== END OF LOAD BALANCING =============== 9346.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9346.7 PRESSURE: 2988400 133.981 -54.9602 166.229 -54.9602 -174.85 -94.6589 166.229 -94.6591 -495.065 GPRESSURE: 2988400 224.336 -50.3659 148.991 -67.1793 -150.138 25.1316 195.713 -190.898 -519.401 PRESSAVG: 2988400 72.3576 18.2834 -27.6025 18.2834 -40.166 -56.1276 -27.6025 -56.1276 36.3383 GPRESSAVG: 2988400 71.8748 16.5614 -26.7089 18.0021 -40.6188 -55.3282 -28.6304 -54.0296 37.476 TIMING: 2988400 CPU: 9334.53, 0.0031958/step Wall: 9334.53, 0.0031958/step, 1.78574 hours remaining, 236.101562 MB of memory in use. ENERGY: 2988400 4028.2775 20363.9265 14474.7471 259.3213 -203404.6427 2473.5791 0.0000 0.0000 51939.2843 -109865.5069 298.4958 -161804.7912 -109498.9177 298.1973 -178.6445 -148.4008 760088.9604 22.8433 22.9107 PRESSURE: 2988600 195.179 195.206 111.28 195.207 -42.2271 -453.056 111.28 -453.056 281.646 GPRESSURE: 2988600 160.418 101.845 -22.8121 152.492 52.6103 -454.606 160.979 -470.611 324.061 PRESSAVG: 2988600 -6.89109 -13.0545 22.972 -13.0545 -30.5926 -20.4278 22.972 -20.4278 10.6937 GPRESSAVG: 2988600 -5.37512 -10.6609 22.0361 -13.0062 -31.7147 -19.1098 24.8972 -21.4114 10.2654 TIMING: 2988600 CPU: 9335.16, 0.00312626/step Wall: 9335.16, 0.00312626/step, 1.74671 hours remaining, 236.562500 MB of memory in use. ENERGY: 2988600 3938.1417 20457.1109 14430.8095 236.6525 -203501.0572 2571.3059 0.0000 0.0000 52023.8413 -109843.1955 298.9817 -161867.0368 -109486.1360 298.4399 144.8657 179.0297 761239.6565 -8.9300 -8.9415 PRESSURE: 2988800 -98.286 -284.579 9.12212 -284.579 -410.102 284.649 9.12148 284.649 -84.88 GPRESSURE: 2988800 -33.4275 -179.611 -58.1287 -282.025 -403.864 270.705 -91.7847 125.239 -73.5245 PRESSAVG: 2988800 78.7035 -20.8702 -21.7298 -20.8702 -102.882 -13.7057 -21.7298 -13.7057 -11.0659 GPRESSAVG: 2988800 78.0696 -22.8784 -22.3609 -21.5535 -102.159 -16.2215 -21.7673 -13.9261 -11.3892 TIMING: 2988800 CPU: 9335.78, 0.00312439/step Wall: 9335.78, 0.00312439/step, 1.74549 hours remaining, 236.562500 MB of memory in use. ENERGY: 2988800 3980.1108 20491.8288 14455.3613 260.9968 -203187.6882 2364.9277 0.0000 0.0000 51770.3199 -109864.1430 297.5247 -161634.4629 -109500.8168 298.2529 -197.7561 -170.2720 762681.5722 -11.7480 -11.8262 PRESSURE: 2989000 -485.472 -151.273 152.284 -151.274 20.7585 -56.8523 152.284 -56.8522 313.53 GPRESSURE: 2989000 -322.949 -106.165 146.923 -206.338 -1.03747 30.3294 66.0545 -132.655 252.133 PRESSAVG: 2989000 22.3564 5.65293 10.6393 5.65291 21.2718 48.2199 10.6393 48.2199 -25.7735 GPRESSAVG: 2989000 23.1351 6.88664 11.3042 5.00097 20.4076 48.4362 10.2575 48.4405 -25.5883 TIMING: 2989000 CPU: 9336.41, 0.00312241/step Wall: 9336.41, 0.00312241/step, 1.74421 hours remaining, 236.562500 MB of memory in use. ENERGY: 2989000 4000.3590 20464.1195 14499.8556 241.7529 -203682.7155 2438.0922 0.0000 0.0000 52025.4405 -110013.0958 298.9909 -162038.5364 -109653.6255 297.8510 -50.3942 -23.9510 762299.5740 5.9516 5.9848 PRESSURE: 2989200 178.24 -96.9853 -14.1836 -96.9848 -118.891 119.111 -14.1846 119.11 -112.726 GPRESSURE: 2989200 108.98 -98.6745 -25.4893 -123.194 6.33086 20.3984 -66.3482 180.967 -63.7763 PRESSAVG: 2989200 31.8554 8.30453 32.9966 8.30464 -52.1006 90.8397 32.9966 90.8397 6.2524 GPRESSAVG: 2989200 31.431 8.45239 33.5647 10.5055 -52.1883 92.3425 33.0323 88.6577 6.94509 TIMING: 2989200 CPU: 9337.04, 0.00313581/step Wall: 9337.04, 0.00313581/step, 1.75153 hours remaining, 236.562500 MB of memory in use. ENERGY: 2989200 3996.6493 20491.4342 14437.8981 271.9864 -203483.5568 2448.1105 0.0000 0.0000 51859.0090 -109978.4692 298.0344 -161837.4782 -109624.9135 298.1298 -17.7923 17.1783 761296.7717 -4.6643 -4.6041 PRESSURE: 2989400 -82.1245 89.2824 123.386 89.2826 -271.869 158.227 123.386 158.228 205.645 GPRESSURE: 2989400 -102.963 148.911 78.5253 79.954 -149.4 130.929 121.25 181.936 211.255 PRESSAVG: 2989400 27.0499 10.1762 23.0368 10.1763 8.30007 16.9064 23.0368 16.9065 -19.7273 GPRESSAVG: 2989400 26.278 11.6822 23.1803 7.50238 10.1541 16.095 22.3208 18.8644 -20.7548 TIMING: 2989400 CPU: 9337.66, 0.00312899/step Wall: 9337.66, 0.00312899/step, 1.74754 hours remaining, 236.562500 MB of memory in use. ENERGY: 2989400 4062.3764 20453.2260 14464.0255 253.2579 -203683.6623 2850.0656 0.0000 0.0000 51694.2972 -109906.4137 297.0878 -161600.7109 -109551.7234 298.1488 -49.4493 -13.7026 762159.3109 5.2075 5.2257 PRESSURE: 2989600 60.7177 -62.3767 -38.0877 -62.3762 -184.328 120.987 -38.0878 120.988 -55.7288 GPRESSURE: 2989600 88.9941 -116.461 -17.5269 -17.1403 -142.735 111.991 -8.36544 7.6284 -31.2131 PRESSAVG: 2989600 3.72668 18.1612 21.0756 18.1613 -1.32806 18.7521 21.0756 18.7522 -5.76714 GPRESSAVG: 2989600 4.73355 15.2661 21.3845 18.9809 -2.60827 18.7161 22.0336 18.4166 -6.32076 TIMING: 2989600 CPU: 9338.29, 0.00312649/step Wall: 9338.29, 0.00312649/step, 1.74597 hours remaining, 236.562500 MB of memory in use. ENERGY: 2989600 4019.6536 20612.7705 14336.9997 238.1441 -203495.4002 2467.3557 0.0000 0.0000 51670.6847 -110149.7920 296.9521 -161820.4766 -109789.7946 297.9002 -59.7798 -28.3181 760212.1554 -1.1228 -1.3985 PRESSURE: 2989800 -52.1455 4.00203 -318.338 4.00186 -168.725 9.91779 -318.339 9.91756 -341.133 GPRESSURE: 2989800 -16.0558 -9.29574 -128.955 52.1804 -180.772 55.4893 -298.947 -84.701 -285.119 PRESSAVG: 2989800 51.4781 -23.962 -35.6534 -23.962 -63.745 -36.903 -35.6534 -36.903 26.4286 GPRESSAVG: 2989800 51.5189 -23.2957 -34.1771 -22.6598 -64.6543 -36.1721 -37.304 -36.39 27.585 TIMING: 2989800 CPU: 9338.91, 0.00311717/step Wall: 9338.91, 0.00311717/step, 1.74059 hours remaining, 236.562500 MB of memory in use. ENERGY: 2989800 3976.4820 20549.6015 14447.9812 251.9936 -203038.8630 2226.9806 0.0000 0.0000 51774.1079 -109811.7163 297.5465 -161585.8241 -109448.3197 298.3501 -187.3344 -160.6488 760499.6016 4.7206 4.8165 PRESSURE: 2990000 300.105 -132.293 -117.99 -132.293 -240.134 3.29413 -117.99 3.29432 20.0925 GPRESSURE: 2990000 325.238 -89.6781 -144.038 -57.1575 -184.946 10.9324 -119.955 101.266 24.752 PRESSAVG: 2990000 49.0388 -25.0932 10.1418 -25.0932 -0.825976 -52.7453 10.1417 -52.7453 -0.709227 GPRESSAVG: 2990000 47.7037 -24.6282 9.14851 -26.9453 0.875502 -51.0952 11.258 -53.7195 -1.36788 TIMING: 2990000 CPU: 9339.53, 0.00311484/step Wall: 9339.53, 0.00311484/step, 1.73912 hours remaining, 236.562500 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: 2990000 4005.3627 20489.4372 14415.5016 258.1915 -203675.2201 2669.4471 0.0000 0.0000 51917.3428 -109919.9373 298.3697 -161837.2801 -109558.1127 298.3992 26.6879 55.0148 759375.4136 15.8345 15.7371 PRESSURE: 2990200 -236.237 241.403 115.099 241.403 79.2539 132.987 115.099 132.987 407.587 GPRESSURE: 2990200 -177.984 133.747 49.4788 226.39 89.1481 114.93 150.957 233.486 454.172 PRESSAVG: 2990200 20.7334 -8.76408 -28.4552 -8.76411 -1.45303 -31.0042 -28.4551 -31.0042 2.67109 GPRESSAVG: 2990200 21.8063 -8.70821 -29.1167 -9.31452 -1.80832 -33.852 -28.763 -31.8322 2.40056 TIMING: 2990200 CPU: 9340.16, 0.00311298/step Wall: 9340.16, 0.00311298/step, 1.73791 hours remaining, 236.562500 MB of memory in use. ENERGY: 2990200 3922.1770 20398.3950 14422.7108 238.0688 -203654.9477 2693.0296 0.0000 0.0000 52087.7820 -109892.7844 299.3492 -161980.5665 -109530.8834 298.4301 83.5349 121.7788 759872.9988 7.3172 7.4662 PRESSURE: 2990400 -149.242 9.98026 162.338 9.98057 -455.47 54.446 162.339 54.4473 -48.324 GPRESSURE: 2990400 -98.0028 -33.2939 19.7946 45.9597 -450.242 87.3877 216.35 87.6264 -5.12758 PRESSAVG: 2990400 82.9352 30.297 -32.8403 30.2969 -70.3169 -28.4462 -32.8403 -28.4461 -10.2383 GPRESSAVG: 2990400 82.604 30.4452 -33.3106 32.1538 -70.1861 -27.911 -29.9651 -25.6855 -9.33039 TIMING: 2990400 CPU: 9340.78, 0.00313255/step Wall: 9340.78, 0.00313255/step, 1.74866 hours remaining, 236.562500 MB of memory in use. ENERGY: 2990400 4026.8463 20427.1001 14382.8071 222.0096 -203685.3984 2876.7952 0.0000 0.0000 52174.2095 -109575.6305 299.8459 -161749.8400 -109221.3774 298.4491 -217.6787 -184.4574 760955.5697 0.7933 1.0292 PRESSURE: 2990600 -28.9045 26.1418 -189.249 26.1412 -161.859 280.882 -189.249 280.883 -216.244 GPRESSURE: 2990600 -1.91417 52.1404 -82.6948 -51.672 -83.9571 210.322 -290.786 156.324 -223.296 PRESSAVG: 2990600 16.2518 35.9005 2.44745 35.9004 -20.6626 -9.3903 2.4475 -9.39029 -13.9464 GPRESSAVG: 2990600 17.3969 35.2409 2.82456 35.303 -21.7002 -10.4391 0.90771 -8.57821 -13.7585 TIMING: 2990600 CPU: 9341.41, 0.00312413/step Wall: 9341.41, 0.00312413/step, 1.74378 hours remaining, 236.562500 MB of memory in use. ENERGY: 2990600 4026.4113 20458.7282 14414.3657 238.9240 -203778.6114 2783.9033 0.0000 0.0000 52219.5412 -109636.7378 300.1064 -161856.2790 -109272.7407 298.5677 -135.6692 -103.0558 761830.4490 -6.1191 -6.0206 PRESSURE: 2990800 261.648 82.7692 -104.619 82.7695 46.3386 -196.26 -104.618 -196.26 12.9782 GPRESSURE: 2990800 228.397 12.7317 -84.2922 50.9266 160.307 -82.1549 -42.3058 -232.562 16.2912 PRESSAVG: 2990800 38.1588 -18.6151 24.8607 -18.6151 -10.902 -44.3289 24.8607 -44.3289 7.03925 GPRESSAVG: 2990800 36.9924 -18.4184 25.3671 -16.9744 -10.6795 -43.353 26.0641 -47.5666 7.02611 TIMING: 2990800 CPU: 9342.03, 0.00310706/step Wall: 9342.03, 0.00310706/step, 1.73408 hours remaining, 236.562500 MB of memory in use. ENERGY: 2990800 4019.0423 20561.7144 14463.9150 249.9050 -203465.8892 2707.5871 0.0000 0.0000 51839.1990 -109624.5264 297.9206 -161463.7254 -109262.8194 298.9251 106.9883 134.9982 760097.0322 11.4320 11.1130 PRESSURE: 2991000 -23.3623 95.22 131.683 95.2201 -433.865 -277.861 131.683 -277.861 54.9011 GPRESSURE: 2991000 11.4885 19.9951 163.343 -11.0566 -471.784 -231.655 83.7943 -242.075 149.781 PRESSAVG: 2991000 42.0604 -9.66006 1.60315 -9.66004 -32.7648 -58.1585 1.60318 -58.1586 5.69601 GPRESSAVG: 2991000 43.042 -10.4854 2.0427 -10.1144 -33.4643 -57.2003 -0.730433 -57.3387 5.6941 TIMING: 2991000 CPU: 9342.65, 0.00311978/step Wall: 9342.65, 0.00311978/step, 1.74101 hours remaining, 236.562500 MB of memory in use. ENERGY: 2991000 4044.8253 20531.8054 14442.8559 239.9666 -203619.5027 2717.6538 0.0000 0.0000 52277.3984 -109364.9974 300.4389 -161642.3958 -108998.8193 299.2036 -134.1088 -103.5047 762223.0770 4.9972 5.0906 PRESSURE: 2991200 -185.867 83.0745 -73.5946 83.0741 91.7489 -129.453 -73.595 -129.453 111.108 GPRESSURE: 2991200 -119.411 41.0093 -24.1945 106.195 210.21 -39.894 -114.404 -142.372 12.1641 PRESSAVG: 2991200 54.6887 1.6698 -31.3657 1.66978 -54.7349 -2.10687 -31.3657 -2.10683 20.3125 GPRESSAVG: 2991200 54.5002 4.12451 -32.2618 2.04629 -54.7448 -1.16498 -29.0553 -2.68958 20.1471 TIMING: 2991200 CPU: 9343.28, 0.00313791/step Wall: 9343.28, 0.00313791/step, 1.75095 hours remaining, 236.562500 MB of memory in use. ENERGY: 2991200 4030.1257 20635.4208 14368.0084 245.8070 -203135.7517 2628.9610 0.0000 0.0000 52051.8458 -109175.5831 299.1427 -161227.4288 -108813.9208 299.3495 5.6635 34.3211 763296.7006 6.7555 6.6342 PRESSURE: 2991400 -349.102 -17.5162 79.3745 -17.5169 -164.41 -81.4981 79.374 -81.4988 -64.9443 GPRESSURE: 2991400 -341.296 -75.1821 77.113 25.9688 -114.148 -61.2925 -2.01452 -67.5102 -32.4956 PRESSAVG: 2991400 40.8621 -27.9531 44.0265 -27.9531 -45.5222 -4.74981 44.0264 -4.74987 13.6005 GPRESSAVG: 2991400 40.0362 -28.8407 44.5045 -27.6269 -45.1237 -3.49523 42.889 -6.2931 13.466 TIMING: 2991400 CPU: 9343.9, 0.00311716/step Wall: 9343.9, 0.00311716/step, 1.7392 hours remaining, 236.562500 MB of memory in use. ENERGY: 2991400 4027.9670 20483.0060 14374.9950 258.3831 -203144.4736 2632.4627 0.0000 0.0000 52004.2793 -109363.3805 298.8693 -161367.6598 -108994.1982 299.6517 -192.8189 -162.6464 763948.8147 2.9801 2.7928 PRESSURE: 2991600 -27.3305 -109.982 -232.019 -109.982 135.465 95.2251 -232.019 95.225 13.358 GPRESSURE: 2991600 -34.0222 -123.686 -316.099 -81.7283 105.84 113.02 -117.457 127.325 126.706 PRESSAVG: 2991600 -19.8371 42.1368 3.62361 42.1369 -5.86227 -21.247 3.62362 -21.247 6.40507 GPRESSAVG: 2991600 -19.6864 40.4239 4.59227 42.1164 -6.66966 -24.4061 2.89401 -16.9928 6.96283 TIMING: 2991600 CPU: 9344.53, 0.0031351/step Wall: 9344.53, 0.0031351/step, 1.74904 hours remaining, 236.562500 MB of memory in use. ENERGY: 2991600 4015.8357 20722.4087 14379.1217 253.3363 -203340.7093 2784.5304 0.0000 0.0000 51702.7833 -109482.6933 297.1366 -161185.4765 -109133.8173 299.3640 40.4974 66.1746 763257.9140 -6.4314 -6.4644 PRESSURE: 2991800 341.251 201.309 444.025 201.309 -113.821 127.054 444.025 127.053 56.438 GPRESSURE: 2991800 395.156 52.382 425.85 160.569 -31.3176 172.096 379.836 8.45824 7.29388 PRESSAVG: 2991800 -14.9827 -15.3823 5.8555 -15.3823 19.6246 12.7587 5.85541 12.7587 -14.9222 GPRESSAVG: 2991800 -14.968 -13.4908 3.73137 -14.0585 20.8348 13.474 6.74349 10.3635 -15.8612 TIMING: 2991800 CPU: 9345.16, 0.00314395/step Wall: 9345.16, 0.00314395/step, 1.7538 hours remaining, 236.562500 MB of memory in use. ENERGY: 2991800 3919.9187 20820.4994 14379.5174 249.1383 -202980.0263 2490.0776 0.0000 0.0000 51920.5937 -109200.2811 298.3884 -161120.8748 -108837.9207 299.0066 94.6225 123.7107 762485.3151 -3.4268 -3.3315 PRESSURE: 2992000 40.5011 -37.9192 -53.9447 -37.919 129.969 382.706 -53.9435 382.705 75.2823 GPRESSURE: 2992000 86.9652 -14.0052 -76.5426 31.9292 180.25 298.474 3.75343 389.307 81.7338 PRESSAVG: 2992000 -70.1174 24.0886 4.47226 24.0886 4.47994 53.0998 4.47232 53.0998 -3.30707 GPRESSAVG: 2992000 -69.8937 25.0526 5.88368 24.515 4.99109 52.3387 1.9395 52.4637 -4.13411 TIMING: 2992000 CPU: 9345.79, 0.00313639/step Wall: 9345.79, 0.00313639/step, 1.74941 hours remaining, 236.562500 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: 2992000 4034.7157 20472.4772 14405.1083 247.8076 -202917.9521 2483.6221 0.0000 0.0000 52017.4612 -109256.7600 298.9451 -161274.2212 -108888.1311 299.3544 81.9176 116.3163 761988.9958 -22.9815 -23.0122 PRESSURE: 2992200 -597.103 -96.5231 160.39 -96.523 -436.498 -193.513 160.39 -193.513 -20.89 GPRESSURE: 2992200 -587.81 -79.7883 149.65 -158.404 -329.54 -65.6289 193.551 -233.31 -53.8775 PRESSAVG: 2992200 4.62963 24.1251 31.3107 24.1251 -20.7656 -6.80623 31.3107 -6.80624 -4.75668 GPRESSAVG: 2992200 5.50577 22.6927 29.6688 24.8795 -21.9025 -5.92165 34.1016 -5.18363 -4.09254 TIMING: 2992200 CPU: 9346.42, 0.00315218/step Wall: 9346.42, 0.00315218/step, 1.75804 hours remaining, 236.562500 MB of memory in use. ENERGY: 2992200 4017.0084 20517.4529 14473.7196 233.8053 -202738.4094 2171.7968 0.0000 0.0000 52231.8548 -109092.7716 300.1772 -161324.6264 -108720.9740 299.5114 -351.4971 -323.7425 762868.4265 -6.9642 -6.8297 LDB: ============= START OF LOAD BALANCING ============== 9358.9 LDB: ============== END OF LOAD BALANCING =============== 9358.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9358.9 LDB: ============= START OF LOAD BALANCING ============== 9359.21 LDB: Largest compute 7007 load 0.029031 is 14.9% of average load 0.195088 LDB: Average compute 0.004374 is 2.2% of average load 0.195088 LDB: TIME 9359.22 LOAD: AVG 0.195088 MAX 0.216156 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.242 MB LDB: TIME 9359.22 LOAD: AVG 0.195088 MAX 0.216156 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.336 MB LDB: TIME 9359.22 LOAD: AVG 0.195088 MAX 0.216156 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.336 MB LDB: ============== END OF LOAD BALANCING =============== 9359.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9359.22 PRESSURE: 2992400 19.1858 -224.216 -145.16 -224.216 22.112 -22.1758 -145.16 -22.1758 -59.0328 GPRESSURE: 2992400 115.536 -169.391 -154.159 -196.541 -45.1567 -12.7662 -124.24 -173.716 18.79 PRESSAVG: 2992400 -0.94406 -10.971 27.4402 -10.971 -37.7952 -41.687 27.4403 -41.6869 -13.0885 GPRESSAVG: 2992400 -3.31173 -11.3583 27.0609 -11.9843 -35.8281 -41.3752 26.1745 -42.8863 -12.288 TIMING: 2992400 CPU: 9347.06, 0.00320032/step Wall: 9347.06, 0.00320032/step, 1.78471 hours remaining, 234.500000 MB of memory in use. ENERGY: 2992400 4004.7331 20515.1549 14527.5665 257.3424 -203349.6024 2737.9245 0.0000 0.0000 52176.9836 -109129.8974 299.8618 -161306.8810 -108764.3004 299.2729 -5.9117 29.7233 762149.1066 -17.2759 -17.1426 PRESSURE: 2992600 -267.23 -125.869 -136.397 -125.869 6.93769 -229.605 -136.397 -229.605 24.369 GPRESSURE: 2992600 -205.3 -112.244 -123.924 -62.0939 -72.2899 -244.275 -19.4961 -194.9 131.259 PRESSAVG: 2992600 -5.77449 -40.9752 -12.1788 -40.9752 2.05506 -23.0719 -12.1788 -23.0718 -3.5863 GPRESSAVG: 2992600 -4.35657 -41.9627 -12.9448 -42.5483 0.854562 -24.7224 -10.2558 -23.5137 -4.05521 TIMING: 2992600 CPU: 9347.68, 0.00312191/step Wall: 9347.68, 0.00312191/step, 1.74081 hours remaining, 234.500000 MB of memory in use. ENERGY: 2992600 4021.9187 20488.7194 14489.1562 243.6409 -202881.7752 2360.5820 0.0000 0.0000 52071.3279 -109206.4301 299.2546 -161277.7579 -108841.3893 299.6860 -78.6409 -48.7769 760440.8611 -2.4352 -2.5191 PRESSURE: 2992800 -464.57 -109.221 133.803 -109.221 14.2117 129.371 133.804 129.371 41.3598 GPRESSURE: 2992800 -395.533 102.884 183.907 -107.002 110.442 161.976 7.64509 63.8474 -30.2375 PRESSAVG: 2992800 1.59311 -26.4493 -28.898 -26.4492 -35.5488 45.5083 -28.898 45.5083 -9.34449 GPRESSAVG: 2992800 1.62282 -24.7121 -25.9796 -26.6754 -34.3002 47.6732 -30.9173 45.3575 -9.98785 TIMING: 2992800 CPU: 9348.31, 0.00312219/step Wall: 9348.31, 0.00312219/step, 1.74079 hours remaining, 234.500000 MB of memory in use. ENERGY: 2992800 4035.3751 20511.0356 14456.9483 247.8851 -203515.1688 2769.6380 0.0000 0.0000 52195.2497 -109299.0369 299.9668 -161494.2866 -108936.1854 299.3189 -136.3329 -105.1097 762145.5885 -14.4334 -14.2217 PRESSURE: 2993000 -124.96 40.0141 224.306 40.015 -189.948 -38.8478 224.307 -38.8491 487.133 GPRESSURE: 2993000 -42.1047 79.9284 197.678 68.8487 -206.487 -131.011 255.142 42.8455 485.533 PRESSAVG: 2993000 -50.2822 -28.4738 -47.0402 -28.4738 51.371 4.54175 -47.0401 4.54174 -19.1511 GPRESSAVG: 2993000 -49.5811 -28.9085 -48.2823 -29.2211 51.1995 3.6326 -46.3794 4.51023 -19.4065 TIMING: 2993000 CPU: 9348.93, 0.00312636/step Wall: 9348.93, 0.00312636/step, 1.74294 hours remaining, 234.500000 MB of memory in use. ENERGY: 2993000 4042.9932 20901.4957 14493.3765 247.3122 -203422.6879 2603.9383 0.0000 0.0000 51950.7052 -109182.8668 298.5614 -161133.5720 -108835.2725 299.5055 57.4083 78.9806 761455.9500 -6.0208 -5.9294 PRESSURE: 2993200 -454.429 148.167 -8.89909 148.167 -9.58487 43.2092 -8.899 43.2088 112.804 GPRESSURE: 2993200 -418.446 22.9023 10.3913 97.7824 14.8706 29.7646 -48.8071 155.381 142.045 PRESSAVG: 2993200 17.0604 17.2542 49.7189 17.2542 18.8713 15.4143 49.7188 15.4143 -0.0895147 GPRESSAVG: 2993200 16.0245 17.3436 50.5201 18.6714 19.1706 14.1701 48.4321 17.1463 0.187995 TIMING: 2993200 CPU: 9349.56, 0.00313882/step Wall: 9349.56, 0.00313882/step, 1.74972 hours remaining, 234.500000 MB of memory in use. ENERGY: 2993200 4091.1415 20648.6123 14484.8884 252.9658 -203356.2436 2715.6075 0.0000 0.0000 52146.7427 -109016.2855 299.6880 -161163.0282 -108659.8926 299.7082 -117.0699 -87.1768 762195.8511 11.9474 11.7943 PRESSURE: 2993400 -183.701 -37.1837 -179.556 -37.1831 -194.836 84.7379 -179.556 84.7378 48.8472 GPRESSURE: 2993400 -92.366 -6.67608 -140.064 32.9324 -164.759 43.8107 -71.7509 36.5515 28.9289 PRESSAVG: 2993400 -64.6848 44.4063 29.4263 44.4063 41.1065 -5.99557 29.4263 -5.9956 -13.0333 GPRESSAVG: 2993400 -62.9284 43.7192 28.464 46.0031 39.8697 -5.46507 31.1779 -9.06567 -13.6004 TIMING: 2993400 CPU: 9350.18, 0.0031288/step Wall: 9350.18, 0.0031288/step, 1.74396 hours remaining, 234.500000 MB of memory in use. ENERGY: 2993400 4000.5028 20656.4263 14439.9649 238.8264 -203330.1101 2541.4226 0.0000 0.0000 52496.6965 -108956.2707 301.6992 -161452.9671 -108591.9002 300.1377 -109.8965 -76.0654 763026.7005 -12.2039 -12.2197 PRESSURE: 2993600 16.0296 76.885 -66.012 76.886 -146.296 -93.2268 -66.0111 -93.2268 -343.35 GPRESSURE: 2993600 129.344 57.2037 -92.5035 74.848 -113.678 -89.1076 -20.5347 -61.8554 -380.466 PRESSAVG: 2993600 26.7083 4.7961 12.0036 4.79605 -6.28034 -1.38282 12.0035 -1.38288 -16.5462 GPRESSAVG: 2993600 26.7117 6.09046 11.4383 3.51004 -6.63796 -1.59366 13.7086 0.0367591 -15.7361 TIMING: 2993600 CPU: 9350.81, 0.00312608/step Wall: 9350.81, 0.00312608/step, 1.74227 hours remaining, 234.500000 MB of memory in use. ENERGY: 2993600 4001.2448 20481.8915 14501.2779 252.8040 -202999.6263 2438.9244 0.0000 0.0000 52146.1581 -109177.3255 299.6847 -161323.4836 -108802.4293 300.2821 -157.8722 -121.5997 761320.8566 1.2939 1.4459 PRESSURE: 2993800 208.497 262.184 -147.159 262.183 -29.7704 -95.5272 -147.16 -95.5275 295.326 GPRESSURE: 2993800 135.675 322.868 -235.594 193.24 97.683 -79.6654 -111.256 -58.2833 309.353 PRESSAVG: 2993800 -24.2465 22.3296 18.3742 22.3296 -13.2841 4.45907 18.3742 4.45896 -0.730203 GPRESSAVG: 2993800 -25.9652 21.0305 18.7682 21.7627 -10.5167 4.17053 16.1293 5.23237 -1.66778 TIMING: 2993800 CPU: 9351.44, 0.00312462/step Wall: 9351.44, 0.00312462/step, 1.74128 hours remaining, 234.500000 MB of memory in use. ENERGY: 2993800 4021.4378 20507.0529 14494.7775 245.6859 -203296.1743 2828.6459 0.0000 0.0000 52144.4349 -109054.1393 299.6748 -161198.5743 -108677.3237 299.8283 158.0176 180.9035 762300.2827 -12.7536 -12.7166 PRESSURE: 2994000 178.64 -41.4469 187.304 -41.4474 -96.0855 -71.1624 187.303 -71.1622 -430.31 GPRESSURE: 2994000 103.443 39.1952 158.316 -80.3783 2.32463 -83.6586 97.3271 -28.4976 -374.023 PRESSAVG: 2994000 13.0973 13.9259 -15.1596 13.9259 4.88927 10.6363 -15.1596 10.6363 11.3392 GPRESSAVG: 2994000 12.9593 14.7447 -14.8641 13.9168 3.35204 10.9364 -16.2024 12.1091 13.3571 TIMING: 2994000 CPU: 9352.06, 0.00311686/step Wall: 9352.06, 0.00311686/step, 1.73678 hours remaining, 234.500000 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: 2994000 4058.8618 20578.1058 14352.8545 245.8069 -203155.7184 2473.8514 0.0000 0.0000 52266.3510 -109179.8870 300.3754 -161446.2381 -108813.4525 299.3653 -115.9185 -89.4184 763679.2075 9.7753 9.8895 PRESSURE: 2994200 99.5934 -108.524 -195.227 -108.524 349.126 -45.7125 -195.227 -45.7127 222.001 GPRESSURE: 2994200 200.117 -55.4287 -158.274 -134.726 365.127 67.4199 -198.165 -10.9482 212.874 PRESSAVG: 2994200 -32.4614 -24.6136 23.8071 -24.6137 -28.271 -32.5698 23.8071 -32.5698 25.4304 GPRESSAVG: 2994200 -32.1597 -24.487 24.3667 -23.5833 -27.691 -29.4572 23.9966 -33.9389 24.4279 TIMING: 2994200 CPU: 9352.68, 0.00312313/step Wall: 9352.68, 0.00312313/step, 1.7401 hours remaining, 234.500000 MB of memory in use. ENERGY: 2994200 3857.4394 20562.3485 14470.6454 240.3415 -202999.4554 2586.9855 0.0000 0.0000 51869.5054 -109412.1898 298.0948 -161281.6952 -109047.5692 298.8489 223.5735 259.3728 760921.9542 -11.7673 -11.8076 PRESSURE: 2994400 -56.5106 -20.075 148.977 -20.0753 -303.858 43.0469 148.977 43.0465 189.316 GPRESSURE: 2994400 -39.8585 16.8233 190.263 -13.3044 -210.577 53.1893 132.807 -69.7292 160.589 PRESSAVG: 2994400 -23.4108 -39.6358 -4.07448 -39.6357 44.0505 4.06541 -4.07448 4.06537 10.2488 GPRESSAVG: 2994400 -23.4361 -40.5341 -3.55026 -40.7629 44.1304 0.746434 -2.23105 4.91394 10.2688 TIMING: 2994400 CPU: 9353.31, 0.00311985/step Wall: 9353.31, 0.00311985/step, 1.7381 hours remaining, 234.500000 MB of memory in use. ENERGY: 2994400 3971.0423 20430.0653 14502.0293 255.0060 -203060.9016 2390.5881 0.0000 0.0000 52018.8256 -109493.3451 298.9529 -161512.1707 -109134.3411 299.0155 -57.0175 -29.9489 762242.8144 10.2962 10.3210 PRESSURE: 2994600 34.3759 -198.4 191.661 -198.4 169.498 -77.7299 191.661 -77.7291 -106.784 GPRESSURE: 2994600 49.2265 -40.2038 219.241 42.1533 159.034 -91.5861 171.889 77.8572 -15.8268 PRESSAVG: 2994600 1.49636 -23.6898 51.5298 -23.6897 -19.6458 -45.5783 51.5297 -45.5783 -14.6855 GPRESSAVG: 2994600 0.135311 -23.8799 51.8884 -21.8176 -18.8305 -44.3902 48.181 -46.81 -14.9711 TIMING: 2994600 CPU: 9353.93, 0.00312431/step Wall: 9353.93, 0.00312431/step, 1.74041 hours remaining, 234.500000 MB of memory in use. ENERGY: 2994600 3919.1971 20500.1634 14496.3924 228.9329 -203039.8867 2442.7583 0.0000 0.0000 51675.1281 -109777.3146 296.9777 -161452.4427 -109425.7186 298.1696 32.3631 64.1447 762604.2437 -10.9450 -11.2221 PRESSURE: 2994800 525.079 192.636 238.723 192.635 72.4792 122.074 238.723 122.073 216.849 GPRESSURE: 2994800 533.41 154.799 274.194 143.917 113.114 67.9109 190.267 332.349 264.624 PRESSAVG: 2994800 -12.6056 25.9198 54.4974 25.9199 28.0097 2.37131 54.4974 2.37127 -37.6261 GPRESSAVG: 2994800 -11.9522 27.0394 52.9333 23.5829 26.6224 1.89417 57.1532 2.8152 -37.3183 TIMING: 2994800 CPU: 9354.56, 0.00313218/step Wall: 9354.56, 0.00313218/step, 1.74462 hours remaining, 234.500000 MB of memory in use. ENERGY: 2994800 4049.6502 20194.1333 14434.0658 228.8004 -203445.5655 2906.3548 0.0000 0.0000 51785.5513 -109847.0096 297.6123 -161632.5610 -109484.1025 297.9860 271.4693 303.7160 761213.9686 -7.4073 -7.5494 PRESSURE: 2995000 224.51 297.576 64.9564 297.575 -1.12242 -36.4986 64.9564 -36.4988 177.339 GPRESSURE: 2995000 236.38 195.684 24.0578 189.686 71.5951 25.3541 67.5464 -147.717 197.605 PRESSAVG: 2995000 -9.25364 -1.25623 -32.4069 -1.25625 17.18 54.9404 -32.4069 54.9405 11.1971 GPRESSAVG: 2995000 -8.31717 -1.49267 -32.5225 -1.98072 17.193 56.1818 -33.7465 55.1691 10.5154 TIMING: 2995000 CPU: 9355.18, 0.00313243/step Wall: 9355.18, 0.00313243/step, 1.74459 hours remaining, 234.500000 MB of memory in use. ENERGY: 2995000 3906.7561 20198.6606 14423.9507 240.2054 -203271.5917 2559.8307 0.0000 0.0000 52184.6652 -109757.5230 299.9060 -161942.1882 -109397.8740 298.3609 133.5753 168.5267 761993.8129 6.3745 6.4637 PRESSURE: 2995200 -18.8679 11.0261 -52.5985 11.0255 41.5041 -91.8109 -52.5983 -91.8118 42.6604 GPRESSURE: 2995200 63.7416 -33.7482 28.39 -24.8443 33.4759 -77.5501 20.3689 -92.9132 72.1353 PRESSAVG: 2995200 6.33208 33.0421 -3.96497 33.0421 -23.7414 10.4545 -3.96497 10.4545 -2.69609 GPRESSAVG: 2995200 6.3534 35.471 -4.63729 34.2153 -23.0477 8.00988 -2.78947 10.5811 -3.16792 TIMING: 2995200 CPU: 9355.81, 0.00313058/step Wall: 9355.81, 0.00313058/step, 1.74338 hours remaining, 234.500000 MB of memory in use. ENERGY: 2995200 4036.2658 20459.1806 14398.3129 252.7024 -203223.4380 2709.7870 0.0000 0.0000 51774.3132 -109592.8762 297.5477 -161367.1894 -109246.6827 298.6111 21.7655 56.4509 761744.0683 -6.7018 -6.6207 PRESSURE: 2995400 -141.818 -8.08887 157.634 -8.08868 13.0944 -82.8127 157.634 -82.8137 174.414 GPRESSURE: 2995400 -44.2509 -192.486 79.026 70.8295 36.2025 -66.084 156.254 22.341 139.834 PRESSAVG: 2995400 25.5636 -36.4679 18.7967 -36.4678 -31.2485 -9.83273 18.7968 -9.83273 9.72898 GPRESSAVG: 2995400 25.712 -38.7262 18.9394 -35.3292 -32.4203 -9.49539 17.3907 -8.8412 10.9307 TIMING: 2995400 CPU: 9356.44, 0.00312817/step Wall: 9356.44, 0.00312817/step, 1.74187 hours remaining, 234.500000 MB of memory in use. ENERGY: 2995400 4001.8482 20517.8179 14393.6894 257.3388 -203083.8409 2438.9225 0.0000 0.0000 51857.2743 -109616.9499 298.0245 -161474.2242 -109253.7893 298.9969 15.2302 43.9285 759653.6725 1.3480 1.4075 PRESSURE: 2995600 -294.243 -29.9916 -104.412 -29.9922 -135.223 158.125 -104.412 158.124 256.705 GPRESSURE: 2995600 -207.565 107.644 -79.6791 47.9016 -164.447 261.204 -158.909 198.504 286.648 PRESSAVG: 2995600 22.3443 15.7136 -18.1997 15.7136 6.21516 6.70878 -18.1997 6.70871 -10.2748 GPRESSAVG: 2995600 21.2943 14.3468 -17.0533 15.7582 7.26666 8.26413 -20.2658 6.87649 -10.988 TIMING: 2995600 CPU: 9357.06, 0.0031111/step Wall: 9357.06, 0.0031111/step, 1.73219 hours remaining, 234.500000 MB of memory in use. ENERGY: 2995600 4033.9315 20531.9197 14414.0810 250.3763 -203102.9803 2387.2697 0.0000 0.0000 52209.3462 -109276.0560 300.0478 -161485.4021 -108917.4976 299.5087 -57.5872 -28.4544 761795.1358 6.0949 5.8577 PRESSURE: 2995800 -23.146 -168.991 116.494 -168.991 145.405 61.8086 116.494 61.8078 -25.8843 GPRESSURE: 2995800 -62.8463 -2.06125 195.792 -53.2102 339.248 77.8694 177.3 22.9744 -56.9298 PRESSAVG: 2995800 3.67105 16.6265 59.5715 16.6265 11.7249 22.3893 59.5715 22.3893 -17.7725 GPRESSAVG: 2995800 3.68655 18.4506 59.7402 15.8187 11.91 23.2589 63.6352 19.9066 -17.3362 TIMING: 2995800 CPU: 9357.69, 0.0031339/step Wall: 9357.69, 0.0031339/step, 1.74471 hours remaining, 234.500000 MB of memory in use. ENERGY: 2995800 4018.1607 20582.4925 14453.4457 273.8662 -203622.1630 3091.2241 0.0000 0.0000 52001.1049 -109201.8688 298.8511 -161202.9737 -108845.3783 299.5666 32.1250 73.1573 761410.0159 -0.7922 -0.5799 PRESSURE: 2996000 112.521 -15.7023 -28.2444 -15.7024 -247.312 81.1907 -28.2438 81.1908 -324.72 GPRESSURE: 2996000 143.049 -73.5097 17.3112 24.4461 -272.379 78.4289 -145.241 50.1543 -226.703 PRESSAVG: 2996000 -0.898828 60.4962 12.6275 60.4962 -14.4702 -10.8283 12.6275 -10.8283 -0.333001 GPRESSAVG: 2996000 0.803638 60.2462 12.6625 58.9224 -15.0887 -12.5838 10.3561 -12.1152 -1.44653 TIMING: 2996000 CPU: 9358.31, 0.00312136/step Wall: 9358.31, 0.00312136/step, 1.73756 hours remaining, 234.500000 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: 2996000 4012.0985 20612.6655 14463.2644 246.0659 -203201.4638 2555.3141 0.0000 0.0000 51987.2280 -109324.8274 298.7713 -161312.0554 -108968.6906 299.6747 -153.1701 -118.6776 762290.5969 -5.2340 -5.2439 PRESSURE: 2996200 -177.091 118.408 -71.143 118.408 -400.226 -96.5078 -71.1434 -96.5081 113.876 GPRESSURE: 2996200 -146.622 103.131 -16.0377 116.549 -374.013 -186.914 -144.049 28.2444 145.808 PRESSAVG: 2996200 -6.40004 11.9967 -15.2536 11.9966 -26.7661 -7.52478 -15.2536 -7.52479 4.12799 GPRESSAVG: 2996200 -7.52441 12.5088 -14.2658 12.4756 -27.0433 -6.66454 -15.2983 -5.91078 5.30847 TIMING: 2996200 CPU: 9358.93, 0.00311201/step Wall: 9358.93, 0.00311201/step, 1.73218 hours remaining, 234.500000 MB of memory in use. ENERGY: 2996200 4007.9814 20545.9743 14422.7667 236.5492 -202857.6406 2296.7326 0.0000 0.0000 51977.7862 -109369.8502 298.7171 -161347.6363 -109010.0660 299.3182 -154.4805 -124.9421 763282.4203 -9.6794 -9.7531 LDB: ============= START OF LOAD BALANCING ============== 9371.41 LDB: ============== END OF LOAD BALANCING =============== 9371.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9371.41 LDB: ============= START OF LOAD BALANCING ============== 9371.73 LDB: Largest compute 7007 load 0.029044 is 14.9% of average load 0.195033 LDB: Average compute 0.004376 is 2.2% of average load 0.195033 LDB: TIME 9371.73 LOAD: AVG 0.195033 MAX 0.214927 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.039 MB LDB: TIME 9371.73 LOAD: AVG 0.195033 MAX 0.214927 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.039 MB LDB: TIME 9371.73 LOAD: AVG 0.195033 MAX 0.214927 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.039 MB LDB: ============== END OF LOAD BALANCING =============== 9371.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9371.74 PRESSURE: 2996400 -8.15182 188.739 63.2198 188.738 -326.445 219.047 63.2196 219.046 -181.224 GPRESSURE: 2996400 -80.4266 177.442 85.506 104.186 -146.303 207.367 -14.3435 177.99 -186.944 PRESSAVG: 2996400 16.1615 56.8049 20.1736 56.8048 4.72325 8.28026 20.1736 8.28022 10.5458 GPRESSAVG: 2996400 15.7499 55.6997 19.412 57.667 4.49368 6.89851 21.2336 8.17451 10.5535 TIMING: 2996400 CPU: 9359.57, 0.0031935/step Wall: 9359.57, 0.0031935/step, 1.77736 hours remaining, 234.039062 MB of memory in use. ENERGY: 2996400 3947.3061 20614.0301 14466.1372 243.4237 -202927.2904 2257.4980 0.0000 0.0000 52105.6231 -109293.2723 299.4517 -161398.8954 -108931.4174 299.1481 -171.9403 -137.8914 761470.9511 10.4769 10.2657 PRESSURE: 2996600 26.5371 3.17079 20.7212 3.17076 -84.3203 126.757 20.7207 126.757 191.779 GPRESSURE: 2996600 157.207 -15.566 -44.0734 83.8518 -63.309 152.527 57.482 99.0347 152.373 PRESSAVG: 2996600 7.68003 14.2033 23.2325 14.2033 -2.31069 -1.75728 23.2325 -1.75725 17.9553 GPRESSAVG: 2996600 7.92593 14.0264 22.2554 16.0131 -1.64016 0.24777 23.2283 -5.22662 17.6046 TIMING: 2996600 CPU: 9360.2, 0.00312867/step Wall: 9360.2, 0.00312867/step, 1.74111 hours remaining, 234.242188 MB of memory in use. ENERGY: 2996600 3944.9912 20383.1276 14454.1444 246.9003 -203056.0082 2679.0003 0.0000 0.0000 52130.3223 -109217.5223 299.5937 -161347.8445 -108847.4508 299.6673 44.6653 82.0903 760273.9537 7.7749 7.9635 PRESSURE: 2996800 -339.892 228.497 -28.9985 228.497 -329.01 -23.7437 -28.9986 -23.7447 -190.338 GPRESSURE: 2996800 -290.041 208.12 -14.1196 195.368 -305.043 -18.2657 -43.6709 54.4579 -182.642 PRESSAVG: 2996800 28.2675 -15.1707 -10.9256 -15.1706 -27.4015 16.3628 -10.9256 16.3628 0.531373 GPRESSAVG: 2996800 28.3716 -13.7725 -10.1527 -17.65 -27.6454 15.0577 -12.5173 18.0823 0.248564 TIMING: 2996800 CPU: 9360.82, 0.00312938/step Wall: 9360.82, 0.00312938/step, 1.74133 hours remaining, 234.242188 MB of memory in use. ENERGY: 2996800 4013.6182 20608.0594 14439.5470 240.1911 -202662.3096 2218.1385 0.0000 0.0000 51967.4524 -109175.3031 298.6577 -161142.7554 -108813.8270 299.4704 -286.4137 -259.2420 762608.8375 0.4658 0.3249 PRESSURE: 2997000 -6.49188 -180.215 -342.056 -180.214 -125.895 37.4694 -342.056 37.4705 220.664 GPRESSURE: 2997000 4.36647 -126.187 -373.135 -158.967 -81.435 14.3585 -367.282 198.126 249.833 PRESSAVG: 2997000 40.4797 -16.0667 -41.0083 -16.0666 -20.5976 6.71567 -41.0082 6.71567 1.93264 GPRESSAVG: 2997000 41.2977 -16.6008 -40.8621 -14.6441 -21.2713 7.21121 -39.7967 8.49221 1.68953 TIMING: 2997000 CPU: 9361.45, 0.00314249/step Wall: 9361.45, 0.00314249/step, 1.74845 hours remaining, 234.242188 MB of memory in use. ENERGY: 2997000 3998.5442 20487.3049 14421.6819 244.6821 -203345.5005 2645.1094 0.0000 0.0000 52313.4830 -109234.6951 300.6463 -161548.1780 -108871.8536 299.9316 29.4257 57.5881 761340.5747 7.2716 7.2387 PRESSURE: 2997200 -206.606 54.9366 52.1558 54.9372 -162.276 211.475 52.1561 211.476 -76.8222 GPRESSURE: 2997200 -112.848 151.717 22.8385 -12.6101 -180.925 122 80.849 208.277 -75.476 PRESSAVG: 2997200 81.5016 4.43359 -53.4329 4.4336 -19.8588 -5.56015 -53.4328 -5.56013 -24.2772 GPRESSAVG: 2997200 82.5745 4.04966 -51.9631 3.88427 -20.9252 -6.37961 -54.1341 -7.23373 -24.123 TIMING: 2997200 CPU: 9362.08, 0.00313451/step Wall: 9362.08, 0.00313451/step, 1.74383 hours remaining, 234.242188 MB of memory in use. ENERGY: 2997200 3931.4647 20386.6409 14488.8654 238.9151 -203061.1850 2616.8119 0.0000 0.0000 52078.1416 -109320.3455 299.2938 -161398.4871 -108955.1641 299.4385 -148.5682 -123.0829 762346.6432 12.4552 12.5088 PRESSURE: 2997400 -118.203 -70.9784 155.257 -70.9774 255.511 -161.272 155.257 -161.271 -211.497 GPRESSURE: 2997400 -18.2435 -64.0392 73.4516 -85.2802 241.829 -141.786 159.894 -216.545 -224.007 PRESSAVG: 2997400 20.4763 32.4756 25.123 32.4757 -37.2652 -51.9504 25.1231 -51.9504 13.9491 GPRESSAVG: 2997400 18.3037 35.6066 23.9874 30.5715 -36.3904 -50.5326 23.8039 -51.2785 14.9685 TIMING: 2997400 CPU: 9362.7, 0.00313183/step Wall: 9362.7, 0.00313183/step, 1.74217 hours remaining, 234.242188 MB of memory in use. ENERGY: 2997400 4038.6482 20311.7528 14517.4294 246.5700 -202773.1818 2657.4587 0.0000 0.0000 51828.7567 -109172.5660 297.8606 -161001.3227 -108822.0967 298.9309 -24.7299 -0.1406 762437.2539 -0.9466 -1.0394 PRESSURE: 2997600 57.8418 29.8092 -201.784 29.8097 -178.008 -35.6737 -201.784 -35.6723 -306.011 GPRESSURE: 2997600 -16.0686 135.633 -244.393 78.1951 43.7417 -58.2327 -158.378 50.6785 -360.531 PRESSAVG: 2997600 -9.34202 34.6698 -39.008 34.6699 57.893 50.1281 -39.008 50.1281 -30.7771 GPRESSAVG: 2997600 -8.96535 30.1774 -39.8329 35.9336 58.1534 48.9243 -37.1174 52.3149 -31.1813 TIMING: 2997600 CPU: 9363.33, 0.00313898/step Wall: 9363.33, 0.00313898/step, 1.74597 hours remaining, 234.242188 MB of memory in use. ENERGY: 2997600 4104.5439 20357.1190 14415.2276 237.2693 -202745.4198 2300.1813 0.0000 0.0000 52137.4587 -109193.6199 299.6347 -161331.0787 -108827.0928 299.4358 -142.0591 -110.9528 761061.6300 5.9246 6.0023 PRESSURE: 2997800 -152.982 146.298 -32.9755 146.299 -138.913 114.692 -32.9757 114.691 -103.929 GPRESSURE: 2997800 -131.134 76.2766 -13.8067 97.9887 -56.915 146.483 -20.7589 -11.652 -116.541 PRESSAVG: 2997800 19.0355 -8.36394 -20.5192 -8.36393 21.4112 -55.1981 -20.5192 -55.1981 4.04562 GPRESSAVG: 2997800 20.9559 -6.87093 -18.9031 -7.88765 21.3283 -53.4853 -19.9217 -58.1968 1.9563 TIMING: 2997800 CPU: 9363.96, 0.00312805/step Wall: 9363.96, 0.00312805/step, 1.73972 hours remaining, 234.242188 MB of memory in use. ENERGY: 2997800 4006.7888 20537.0582 14501.7645 234.5954 -203124.4741 2338.2299 0.0000 0.0000 52172.1918 -109333.8456 299.8343 -161506.0373 -108970.4190 299.2962 -131.9412 -101.5300 761871.3783 14.8308 14.7469 PRESSURE: 2998000 -103.627 84.2649 324.571 84.2648 195.938 -6.98103 324.57 -6.98088 -118.627 GPRESSURE: 2998000 -112.371 14.6689 282.887 -25.8302 276.125 -21.4726 308.039 31.4979 -107.137 PRESSAVG: 2998000 33.2421 45.1694 2.94104 45.1694 -29.0809 -45.1224 2.94105 -45.1224 37.9264 GPRESSAVG: 2998000 31.0225 46.8507 0.437317 43.7548 -27.6919 -45.3907 2.73124 -43.4359 39.0481 TIMING: 2998000 CPU: 9364.59, 0.00315214/step Wall: 9364.59, 0.00315214/step, 1.75294 hours remaining, 234.242188 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: 2998000 4001.7973 20454.3350 14470.1983 245.5100 -203117.1487 2432.6164 0.0000 0.0000 52388.9015 -109123.7902 301.0797 -161512.6917 -108756.3381 299.7953 -8.7720 18.8721 760052.5366 14.0292 14.1262 PRESSURE: 2998200 -3.81328 -27.2127 79.7473 -27.2133 -200.661 -9.5455 79.748 -9.54603 -234.122 GPRESSURE: 2998200 47.2691 -21.7152 52.7266 123.699 -142.505 -19.7534 51.0436 -4.56166 -245.044 PRESSAVG: 2998200 -51.8202 25.6026 -13.809 25.6026 17.0074 -24.848 -13.8091 -24.8479 7.67325 GPRESSAVG: 2998200 -51.0737 24.4092 -12.7414 25.5707 16.4436 -25.4049 -16.8526 -25.7479 7.9522 TIMING: 2998200 CPU: 9365.21, 0.00312987/step Wall: 9365.21, 0.00312987/step, 1.74038 hours remaining, 234.242188 MB of memory in use. ENERGY: 2998200 4043.3001 20345.8095 14477.4410 244.1919 -203127.8030 2743.1650 0.0000 0.0000 51991.3858 -109282.5098 298.7952 -161273.8955 -108918.2375 299.8296 -146.1987 -113.4266 762449.3170 -9.0465 -8.8926 PRESSURE: 2998400 319.08 237.475 -24.7968 237.475 -33.262 -135.126 -24.7965 -135.126 22.8353 GPRESSURE: 2998400 361.887 223.419 -65.9762 272.989 -87.0907 -198.889 -105.892 -127.827 109.778 PRESSAVG: 2998400 35.4209 38.6504 -25.699 38.6504 -37.6021 -10.6497 -25.699 -10.6498 -11.5455 GPRESSAVG: 2998400 35.7011 37.5572 -27.8687 41.1418 -38.9981 -8.79437 -23.281 -12.4819 -10.3483 TIMING: 2998400 CPU: 9365.84, 0.00314005/step Wall: 9365.84, 0.00314005/step, 1.74587 hours remaining, 234.242188 MB of memory in use. ENERGY: 2998400 3946.1766 20639.7934 14498.9886 238.0062 -203552.7852 3025.4301 0.0000 0.0000 51945.9599 -109258.4304 298.5341 -161204.3903 -108906.4926 299.3836 102.8844 128.1914 762632.2661 -4.5755 -4.5484 PRESSURE: 2998600 153.845 62.4447 -55.8628 62.4438 -537.223 72.032 -55.8631 72.032 311.13 GPRESSURE: 2998600 82.0513 67.9506 -46.5408 106.085 -351.795 48.5569 -163.762 105.701 284.948 PRESSAVG: 2998600 70.5506 21.5946 -19.077 21.5946 -54.3576 -5.79499 -19.077 -5.79495 -8.65961 GPRESSAVG: 2998600 68.956 21.4941 -18.1338 20.5656 -51.8072 -7.61204 -21.3692 -4.5756 -9.86917 TIMING: 2998600 CPU: 9366.47, 0.00312475/step Wall: 9366.47, 0.00312475/step, 1.73719 hours remaining, 234.242188 MB of memory in use. ENERGY: 2998600 4008.9848 20468.0658 14471.9019 251.0782 -203260.4870 2628.7296 0.0000 0.0000 52173.1707 -109258.5559 299.8399 -161431.7266 -108890.1372 299.5000 -24.0826 5.0680 761757.5701 2.5111 2.4266 PRESSURE: 2998800 -453.516 3.93234 -63.3284 3.93309 82.3595 -98.9152 -63.3281 -98.9146 70.5043 GPRESSURE: 2998800 -459.693 28.4506 -117.898 -70.768 125.166 -62.9522 15.462 15.0899 105.995 PRESSAVG: 2998800 35.6584 4.06316 -13.3749 4.06323 8.65337 26.9257 -13.375 26.9257 9.97691 GPRESSAVG: 2998800 35.9029 4.01089 -12.972 2.09288 8.46307 27.3469 -12.2681 28.6231 9.37379 TIMING: 2998800 CPU: 9367.09, 0.00313202/step Wall: 9367.09, 0.00313202/step, 1.74105 hours remaining, 234.242188 MB of memory in use. ENERGY: 2998800 3954.7500 20500.6166 14435.5248 249.2686 -202681.1768 2365.7605 0.0000 0.0000 51850.4253 -109324.8310 297.9851 -161175.2563 -108963.0833 299.2635 -100.2174 -76.1774 761809.9499 18.0962 17.9132 PRESSURE: 2999000 -295.387 -179.813 -125.208 -179.813 134.261 140.559 -125.208 140.559 -176.868 GPRESSURE: 2999000 -300.247 -167.229 -104.272 -174.723 130.782 76.4818 -231.757 152.759 -67.6168 PRESSAVG: 2999000 -47.408 -12.8367 12.7699 -12.8367 50.2406 15.6906 12.7699 15.6907 -1.27615 GPRESSAVG: 2999000 -45.0795 -11.6237 14.4619 -12.6114 48.0804 14.9167 12.3758 15.2323 -1.87331 TIMING: 2999000 CPU: 9367.72, 0.00312886/step Wall: 9367.72, 0.00312886/step, 1.73913 hours remaining, 234.242188 MB of memory in use. ENERGY: 2999000 3969.6878 20520.6390 14399.5957 242.4135 -202996.6993 2578.7000 0.0000 0.0000 51952.9377 -109332.7256 298.5742 -161285.6633 -108973.6406 298.7160 -112.6647 -79.0271 764201.3517 0.5188 0.3758 PRESSURE: 2999200 -636.351 -77.9392 137.156 -77.94 291.088 -5.26374 137.156 -5.26292 127.572 GPRESSURE: 2999200 -571.382 21.4129 221.81 -59.1749 287.32 -18.2233 103.878 67.8821 140.051 PRESSAVG: 2999200 -31.0519 -11.0049 15.5559 -11.0049 3.50348 50.1071 15.5559 50.1072 7.02785 GPRESSAVG: 2999200 -32.6918 -10.4537 16.3174 -9.86082 4.28813 50.2205 16.9662 49.9528 8.03251 TIMING: 2999200 CPU: 9368.34, 0.00312055/step Wall: 9368.34, 0.00312055/step, 1.73433 hours remaining, 234.242188 MB of memory in use. ENERGY: 2999200 3934.8019 20604.8034 14493.8159 255.2051 -203124.3122 2602.7121 0.0000 0.0000 51860.1479 -109372.8259 298.0410 -161232.9738 -109013.7096 298.5920 -72.5637 -48.0035 763083.7479 -6.8402 -6.7904 PRESSURE: 2999400 130.46 32.9498 69.9873 32.9495 337.742 -35.1535 69.9879 -35.153 414.666 GPRESSURE: 2999400 151.206 35.0645 114.368 50.9574 372.293 13.6697 -40.5039 26.2701 447.486 PRESSAVG: 2999400 -41.6045 -8.37741 -38.1549 -8.37746 26.2511 -28.5108 -38.1548 -28.5107 -13.4925 GPRESSAVG: 2999400 -40.7012 -9.26815 -40.1859 -8.55533 25.602 -27.2965 -40.225 -30.7636 -13.6769 TIMING: 2999400 CPU: 9368.97, 0.00312676/step Wall: 9368.97, 0.00312676/step, 1.73761 hours remaining, 234.242188 MB of memory in use. ENERGY: 2999400 3997.6169 20504.3970 14479.3866 245.1996 -203434.5742 3075.4224 0.0000 0.0000 51797.3289 -109335.2229 297.6800 -161132.5518 -108975.2468 299.1963 294.2893 323.6618 762929.0686 -9.6153 -9.5920 PRESSURE: 2999600 96.3838 48.1159 253.832 48.1167 -27.5904 -41.8707 253.832 -41.8697 333.743 GPRESSURE: 2999600 181.177 85.2408 361.16 97.0784 45.5583 -81.8345 162.48 -59.2071 271.302 PRESSAVG: 2999600 -27.4533 -33.4938 -19.3787 -33.4938 29.3913 11.5371 -19.3788 11.5371 16.4255 GPRESSAVG: 2999600 -28.2685 -33.3185 -16.7839 -33.5006 30.4477 10.482 -18.746 12.8008 16.8116 TIMING: 2999600 CPU: 9369.59, 0.00311712/step Wall: 9369.59, 0.00311712/step, 1.73208 hours remaining, 234.242188 MB of memory in use. ENERGY: 2999600 3962.5122 20584.6033 14470.2740 260.2476 -203082.8228 2553.6277 0.0000 0.0000 51876.0586 -109375.4995 298.1324 -161251.5581 -109016.5179 299.1691 134.1787 166.0121 763341.2037 6.1212 6.3303 PRESSURE: 2999800 -620.073 33.9289 -21.5804 33.9296 115.962 57.8981 -21.5802 57.8989 -195.557 GPRESSURE: 2999800 -561.003 92.3824 2.33392 156.554 121.385 130.544 -26.8685 68.2556 -183.093 PRESSAVG: 2999800 -39.616 32.1395 -22.198 32.1395 32.3082 -12.3265 -22.198 -12.3265 10.2855 GPRESSAVG: 2999800 -39.2406 31.2505 -24.8107 34.313 31.6743 -10.5361 -21.6701 -12.8897 10.3171 TIMING: 2999800 CPU: 9370.22, 0.00312893/step Wall: 9370.22, 0.00312893/step, 1.73847 hours remaining, 234.242188 MB of memory in use. ENERGY: 2999800 3983.7536 20459.9775 14510.0594 265.4846 -203207.7255 2539.6847 0.0000 0.0000 52303.0619 -109145.7039 300.5864 -161448.7657 -108777.6261 299.3361 -233.2227 -207.5705 762915.8192 0.9926 0.9169 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 3000000 WRITING COORDINATES TO RESTART FILE AT STEP 3000000 FINISHED WRITING RESTART COORDINATES PRESSURE: 3000000 232.105 167.414 34.7 167.414 97.132 -136.406 34.7006 -136.408 98.7655 GPRESSURE: 3000000 329.333 195.579 -4.62043 200.391 60.093 -147.416 45.1249 -167.292 125.401 PRESSAVG: 3000000 -37.2119 50.0771 0.951779 50.0771 -4.04144 4.50477 0.951696 4.50468 -27.6433 GPRESSAVG: 3000000 -36.4678 51.0251 2.64918 46.1629 -4.318 1.73801 2.01196 5.17932 -28.0369 TIMING: 3000000 CPU: 9370.87, 0.00328123/step Wall: 9370.87, 0.00328123/step, 1.8229 hours remaining, 234.367188 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: 3000000 3988.8853 20657.3447 14579.2121 241.2555 -202955.2796 2541.5648 0.0000 0.0000 51911.3109 -109035.7062 298.3350 -160947.0171 -108682.6627 299.5538 142.6674 171.6090 763652.1169 -22.9655 -22.9409 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3000000 WRITING VELOCITIES TO RESTART FILE AT STEP 3000000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3000200 242.263 -160.357 187.186 -160.356 -30.0168 174.106 187.186 174.107 -44.0856 GPRESSURE: 3000200 275.854 -85.8623 163.602 -230.176 -4.90638 256.405 40.0514 197.26 17.3117 PRESSAVG: 3000200 57.0492 -13.6034 4.16543 -13.6034 -11.781 19.1702 4.16546 19.1702 4.78254 GPRESSAVG: 3000200 56.424 -13.3637 3.45284 -11.7129 -10.7028 21.9392 4.7086 18.9085 5.17063 TIMING: 3000200 CPU: 9371.54, 0.00330936/step Wall: 9371.54, 0.00330936/step, 1.83835 hours remaining, 234.367188 MB of memory in use. ENERGY: 3000200 3993.0942 20381.1197 14517.5901 259.9568 -203050.4886 2754.5660 0.0000 0.0000 52298.6285 -108845.5332 300.5609 -161144.1617 -108474.5707 299.8141 56.0534 96.0865 763563.2299 16.6836 16.9639 LDB: ============= START OF LOAD BALANCING ============== 9384.02 LDB: ============== END OF LOAD BALANCING =============== 9384.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9384.02 LDB: ============= START OF LOAD BALANCING ============== 9384.33 LDB: Largest compute 7007 load 0.028466 is 14.6% of average load 0.195047 LDB: Average compute 0.004375 is 2.2% of average load 0.195047 LDB: TIME 9384.33 LOAD: AVG 0.195047 MAX 0.217465 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.812 MB LDB: TIME 9384.33 LOAD: AVG 0.195047 MAX 0.217465 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.906 MB LDB: TIME 9384.34 LOAD: AVG 0.195047 MAX 0.217465 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.906 MB LDB: ============== END OF LOAD BALANCING =============== 9384.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9384.34 PRESSURE: 3000400 -135.032 145.873 -109.62 145.873 -50.7514 -117.711 -109.619 -117.712 -298.553 GPRESSURE: 3000400 -45.9519 8.22145 -73.3151 38.5959 -160.253 -117.748 -114.397 6.81676 -212.649 PRESSAVG: 3000400 10.7473 22.2337 -3.80963 22.2336 -7.77206 46.2057 -3.80962 46.2057 36.7556 GPRESSAVG: 3000400 11.782 19.682 -2.08668 21.9438 -9.30491 44.395 -4.5476 47.8395 36.984 TIMING: 3000400 CPU: 9372.18, 0.00320235/step Wall: 9372.18, 0.00320235/step, 1.77873 hours remaining, 235.269531 MB of memory in use. ENERGY: 3000400 4024.8246 20742.3222 14487.8523 234.3887 -203008.7624 2651.1225 0.0000 0.0000 51993.1718 -108875.0803 298.8055 -160868.2521 -108511.6278 300.4402 -161.4453 -139.6180 763804.5271 13.2436 13.1537 PRESSURE: 3000600 231.413 -1.28004 -137.171 -1.28051 16.7785 18.9554 -137.17 18.955 99.1816 GPRESSURE: 3000600 236.782 -2.19469 -116.043 25.5717 108.366 24.8009 -258.566 97.9765 81.4163 PRESSAVG: 3000600 28.6928 5.62466 -60.3922 5.62466 -35.0659 -41.8209 -60.3922 -41.821 2.72274 GPRESSAVG: 3000600 26.2524 7.87034 -62.0385 7.34865 -33.8997 -41.5792 -59.6712 -42.2672 2.92789 TIMING: 3000600 CPU: 9372.8, 0.00312146/step Wall: 9372.8, 0.00312146/step, 1.73363 hours remaining, 235.269531 MB of memory in use. ENERGY: 3000600 4078.6324 20502.4136 14507.1581 255.7303 -203455.7038 2813.3283 0.0000 0.0000 52402.0675 -108896.3737 301.1554 -161298.4412 -108541.7013 299.9890 115.7909 142.1881 761757.0585 -1.2168 -1.5731 PRESSURE: 3000800 -1.20079 -3.61816 -89.5522 -3.61846 10.9429 109.969 -89.5518 109.969 -77.9413 GPRESSURE: 3000800 133.586 -16.162 -42.6665 6.52667 -2.29814 200.803 -43.9026 -84.0428 -111.304 PRESSAVG: 3000800 -0.687847 54.2332 -16.8103 54.2332 9.29186 -41.7507 -16.8104 -41.7507 15.3966 GPRESSAVG: 3000800 0.597036 51.7557 -17.0926 52.0583 9.57017 -44.183 -16.181 -43.5224 13.9096 TIMING: 3000800 CPU: 9373.43, 0.00313181/step Wall: 9373.43, 0.00313181/step, 1.7392 hours remaining, 235.269531 MB of memory in use. ENERGY: 3000800 4071.6714 20570.8564 14386.5679 257.9213 -203142.8366 2684.2154 0.0000 0.0000 52354.4682 -108817.1359 300.8818 -161171.6041 -108461.2171 299.9258 -22.7331 6.6614 761629.3829 8.0002 8.0256 PRESSURE: 3001000 300.07 31.486 -326.499 31.4859 289.909 183.43 -326.499 183.431 203.115 GPRESSURE: 3001000 224.639 -59.1237 -321.843 69.602 398.854 162.664 -260.729 251.092 250.91 PRESSAVG: 3001000 15.2974 19.6376 -27.4463 19.6376 18.0756 -24.6938 -27.4463 -24.6938 -3.23595 GPRESSAVG: 3001000 14.9833 21.3463 -28.2813 20.0702 18.9046 -23.3341 -26.7298 -23.0933 -3.75894 TIMING: 3001000 CPU: 9374.05, 0.00313671/step Wall: 9374.05, 0.00313671/step, 1.74174 hours remaining, 235.269531 MB of memory in use. ENERGY: 3001000 3989.9445 20489.6693 14442.8479 229.5270 -202719.4264 2444.9805 0.0000 0.0000 52294.4948 -108827.9624 300.5372 -161122.4573 -108452.9871 300.3842 264.3645 291.4678 763076.6619 10.0457 10.0430 PRESSURE: 3001200 68.0344 -130.946 -32.6755 -130.946 68.4907 -190.012 -32.6759 -190.012 65.926 GPRESSURE: 3001200 94.2949 -145.589 -6.52697 -20.3728 82.1233 -244.193 -36.4876 -208.125 97.286 PRESSAVG: 3001200 -55.3128 37.2399 -3.30049 37.2398 32.5292 -14.9913 -3.30047 -14.9913 2.87219 GPRESSAVG: 3001200 -55.4017 37.7587 -1.28807 36.0936 31.4749 -16.2935 -3.57335 -15.3755 4.06873 TIMING: 3001200 CPU: 9374.68, 0.00313623/step Wall: 9374.68, 0.00313623/step, 1.74131 hours remaining, 235.269531 MB of memory in use. ENERGY: 3001200 4007.7572 20392.6637 14471.0843 247.0443 -202891.9233 2437.9801 0.0000 0.0000 52245.4935 -109089.9002 300.2556 -161335.3937 -108725.5721 299.9853 67.4837 91.2347 761703.6833 -6.6371 -6.6194 PRESSURE: 3001400 35.8583 114.777 62.9855 114.776 206.186 141.992 62.9859 141.991 -103.132 GPRESSURE: 3001400 108.948 176.909 38.6873 49.4655 253.044 60.0596 52.7092 132.797 -122.068 PRESSAVG: 3001400 0.386548 -34.8002 -15.3109 -34.8002 36.5027 -25.3795 -15.3108 -25.3796 5.53397 GPRESSAVG: 3001400 1.2118 -35.0209 -16.4252 -34.5334 37.9629 -23.9417 -16.9242 -27.6398 3.66718 TIMING: 3001400 CPU: 9375.31, 0.00313137/step Wall: 9375.31, 0.00313137/step, 1.73843 hours remaining, 235.269531 MB of memory in use. ENERGY: 3001400 3963.1830 20522.9279 14535.4036 254.0666 -203245.0719 2559.7180 0.0000 0.0000 52180.6704 -109229.1024 299.8830 -161409.7728 -108869.2134 299.5791 46.3040 79.9748 761664.0348 14.1411 14.2806 PRESSURE: 3001600 -204.645 266.916 77.2566 266.916 207.774 40.0816 77.2569 40.0815 -312.243 GPRESSURE: 3001600 -103.655 179.601 102.301 212.723 219.069 63.4761 171.521 109.876 -323.31 PRESSAVG: 3001600 -40.8874 -15.9991 40.2139 -15.9991 0.00992479 28.3124 40.2139 28.3124 0.141347 GPRESSAVG: 3001600 -40.9924 -16.9662 39.9916 -16.7441 -0.973132 28.4612 41.3478 30.5596 1.65471 TIMING: 3001600 CPU: 9375.93, 0.00313114/step Wall: 9375.93, 0.00313114/step, 1.73813 hours remaining, 235.269531 MB of memory in use. ENERGY: 3001600 3982.7058 20470.8384 14502.8358 231.6328 -203122.4981 2520.9947 0.0000 0.0000 51787.6933 -109625.7973 297.6246 -161413.4906 -109262.8140 298.5130 -103.0379 -69.2987 761846.5859 -13.5787 -13.4369 PRESSURE: 3001800 264.842 197.839 33.6215 197.84 275.784 78.7482 33.6222 78.7485 241.619 GPRESSURE: 3001800 324.458 121.159 28.0333 152.768 266.031 103.591 29.9329 193.019 275.08 PRESSAVG: 3001800 -0.960076 31.2892 32.54 31.2892 -10.6508 -6.69862 32.5401 -6.69855 -18.0651 GPRESSAVG: 3001800 -2.0536 32.0743 32.3441 30.4285 -10.2068 -6.15373 33.2476 -9.17552 -17.7978 TIMING: 3001800 CPU: 9376.56, 0.00313078/step Wall: 9376.56, 0.00313079/step, 1.73776 hours remaining, 235.269531 MB of memory in use. ENERGY: 3001800 3937.2669 20514.5832 14412.4899 234.2206 -203616.2315 2930.2895 0.0000 0.0000 51875.3618 -109712.0194 298.1284 -161587.3812 -109358.8221 298.2730 260.7482 288.5232 759974.0838 -9.8920 -10.0194 PRESSURE: 3002000 27.8406 -70.4117 227.029 -70.411 429.296 100.521 227.029 100.519 -222.293 GPRESSURE: 3002000 57.7112 13.3984 197.173 116.995 398.414 81.7289 180.813 64.6399 -133.368 PRESSAVG: 3002000 -13.3201 -48.4674 -12.4042 -48.4674 13.1137 29.5069 -12.4042 29.5068 13.455 GPRESSAVG: 3002000 -13.3145 -46.823 -11.7778 -47.6747 12.6235 28.6549 -12.7247 30.2658 13.3176 TIMING: 3002000 CPU: 9377.19, 0.00314115/step Wall: 9377.19, 0.00314115/step, 1.74334 hours remaining, 235.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3002000 3957.1521 20259.2311 14489.5899 247.0348 -203050.4314 2547.9926 0.0000 0.0000 51904.3866 -109645.0443 298.2952 -161549.4309 -109288.9611 298.1593 78.2814 107.5854 763060.9826 4.4162 4.2089 PRESSURE: 3002200 -290.395 100.618 -278.513 100.618 81.1991 168.24 -278.513 168.241 464.992 GPRESSURE: 3002200 -184.697 83.1378 -333.404 49.722 54.6234 144.567 -147.135 138.851 465.069 PRESSAVG: 3002200 -68.3977 -77.337 21.6131 -77.337 43.9679 -0.201977 21.6131 -0.201824 7.32845 GPRESSAVG: 3002200 -67.9515 -80.0613 22.9807 -77.1436 43.9938 1.30659 20.8792 -1.01668 7.43962 TIMING: 3002200 CPU: 9377.81, 0.00313014/step Wall: 9377.81, 0.00313014/step, 1.73705 hours remaining, 235.269531 MB of memory in use. ENERGY: 3002200 4041.0696 20579.0562 14462.6433 229.5125 -202859.7877 2357.7764 0.0000 0.0000 51667.0543 -109522.6754 296.9313 -161189.7297 -109161.0545 298.4178 85.2655 111.6651 760403.3561 -5.7005 -5.5060 PRESSURE: 3002400 -198.99 239.259 -65.5382 239.26 -190.134 38.2575 -65.538 38.2579 -13.1363 GPRESSURE: 3002400 -214.858 245.705 -67.106 329.406 -143.406 118.079 -114.138 -95.1317 35.394 PRESSAVG: 3002400 -15.813 -17.2535 -16.9819 -17.2535 -0.713524 32.443 -16.9819 32.443 -18.1612 GPRESSAVG: 3002400 -16.1364 -16.0088 -18.0266 -16.9147 -0.730938 30.0931 -17.3314 34.8247 -18.3088 TIMING: 3002400 CPU: 9378.44, 0.00311787/step Wall: 9378.44, 0.00311787/step, 1.73007 hours remaining, 235.269531 MB of memory in use. ENERGY: 3002400 3953.1589 20303.3650 14372.1614 246.3618 -202846.3678 2440.1972 0.0000 0.0000 51989.2452 -109541.8782 298.7829 -161531.1235 -109170.0178 298.7874 -134.0869 -107.6234 761603.6928 -11.5626 -11.7254 PRESSURE: 3002600 -106.678 32.0135 -116.699 32.0134 -217.03 -28.2179 -116.699 -28.2159 -85.015 GPRESSURE: 3002600 -136.696 8.45076 -112.933 -16.8879 -185.156 -28.1817 -101.82 41.7137 5.44054 PRESSAVG: 3002600 3.52201 6.404 -2.86915 6.40405 -5.08151 17.1663 -2.86915 17.1663 6.29892 GPRESSAVG: 3002600 2.83282 5.57214 -3.1378 8.06971 -5.62943 18.5822 -2.81424 14.7524 6.83854 TIMING: 3002600 CPU: 9379.06, 0.0031303/step Wall: 9379.06, 0.0031303/step, 1.7368 hours remaining, 235.269531 MB of memory in use. ENERGY: 3002600 3961.9973 20569.7158 14471.7593 264.3340 -202893.5876 2476.4181 0.0000 0.0000 51810.8055 -109338.5576 297.7574 -161149.3631 -108975.8452 299.4679 -136.2409 -105.4704 763504.3137 1.5798 1.3473 PRESSURE: 3002800 16.3036 37.1543 44.8798 37.1539 -121.356 5.96017 44.8803 5.96056 -31.7146 GPRESSURE: 3002800 -68.0356 16.5322 108.552 65.2083 73.8976 72.9534 8.82215 -10.892 -75.5596 PRESSAVG: 3002800 15.9829 -33.4605 43.1864 -33.4606 -7.37115 29.7109 43.1865 29.7109 -1.56638 GPRESSAVG: 3002800 16.4226 -32.3431 41.7317 -37.3381 -7.09658 29.7843 45.1631 29.9508 -2.26845 TIMING: 3002800 CPU: 9379.69, 0.00313852/step Wall: 9379.69, 0.00313852/step, 1.74118 hours remaining, 235.269531 MB of memory in use. ENERGY: 3002800 4018.3955 20505.7918 14413.1254 244.1230 -203377.6505 2755.5973 0.0000 0.0000 52045.8961 -109394.7214 299.1085 -161440.6175 -109032.5105 299.2354 -45.5890 -23.2325 762901.1663 2.3485 2.3525 PRESSURE: 3003000 -190.008 16.5604 106.175 16.5599 340.615 -43.5376 106.175 -43.5378 -11.5478 GPRESSURE: 3003000 -128.496 -29.1217 19.1572 63.7702 262.349 -128.28 115.708 42.8545 68.517 PRESSAVG: 3003000 -12.7574 58.9669 -33.2198 58.9669 -35.4452 -25.5922 -33.2199 -25.5922 -31.2123 GPRESSAVG: 3003000 -11.711 55.6404 -31.4632 61.3741 -36.5538 -26.1348 -35.026 -25.83 -31.0381 TIMING: 3003000 CPU: 9380.32, 0.00311787/step Wall: 9380.32, 0.00311787/step, 1.72955 hours remaining, 235.269531 MB of memory in use. ENERGY: 3003000 3893.1831 20460.8832 14489.0330 244.1897 -203464.4177 2705.4209 0.0000 0.0000 52210.1121 -109461.5958 300.0522 -161671.7079 -109105.5400 298.9249 46.3531 67.4564 761118.0588 -26.4716 -26.4343 PRESSURE: 3003200 -67.2249 291.202 81.5962 291.201 -85.2685 -188.345 81.5953 -188.345 -50.9113 GPRESSURE: 3003200 -53.5211 213.948 110.335 212.066 -29.7163 -168.073 75.906 -105.195 -21.1485 PRESSAVG: 3003200 -40.8135 34.5497 18.0443 34.5498 40.5421 33.5648 18.0443 33.5649 -15.7613 GPRESSAVG: 3003200 -41.2544 36.2568 17.3415 35.3906 41.0082 34.8472 18.1863 33.8138 -15.2708 TIMING: 3003200 CPU: 9380.94, 0.00311873/step Wall: 9380.94, 0.00311873/step, 1.72986 hours remaining, 235.269531 MB of memory in use. ENERGY: 3003200 3968.9048 20374.5041 14405.9776 248.5933 -202849.1940 2472.8603 0.0000 0.0000 51723.5617 -109654.7924 297.2560 -161378.3541 -109290.0824 299.0066 -67.8016 -34.7953 760736.4882 -5.3442 -5.1723 PRESSURE: 3003400 159.364 -114.455 133.727 -114.455 -15.4799 139.714 133.726 139.714 -120.542 GPRESSURE: 3003400 209.854 -83.7318 180.475 -96.9027 17.1335 70.9668 133.079 144.235 -92.878 PRESSAVG: 3003400 -18.873 55.9571 48.8705 55.957 -26.7877 11.6059 48.8705 11.6059 -16.1342 GPRESSAVG: 3003400 -18.0072 55.6302 49.533 55.6786 -26.6715 9.17424 50.1561 11.2285 -16.7142 TIMING: 3003400 CPU: 9381.56, 0.0031244/step Wall: 9381.56, 0.0031244/step, 1.73283 hours remaining, 235.269531 MB of memory in use. ENERGY: 3003400 3993.3076 20527.2028 14407.1898 224.7877 -203248.4452 2600.5522 0.0000 0.0000 51730.2747 -109765.1306 297.2946 -161495.4052 -109410.2888 298.1065 7.7808 44.7031 759972.7153 -20.5983 -20.4643 PRESSURE: 3003600 47.6362 103.832 346.019 103.832 -72.2785 153.91 346.02 153.911 3.36821 GPRESSURE: 3003600 115.309 62.7354 349.122 -2.34744 -88.0193 76.2047 203.305 134.854 14.2128 PRESSAVG: 3003600 17.9098 28.3189 29.9967 28.3189 -27.1731 -12.7804 29.9967 -12.7805 -22.8279 GPRESSAVG: 3003600 16.6991 29.0547 29.3532 27.9464 -26.6084 -12.2809 28.867 -13.0039 -22.4119 TIMING: 3003600 CPU: 9382.19, 0.00310744/step Wall: 9382.19, 0.00310744/step, 1.72325 hours remaining, 235.269531 MB of memory in use. ENERGY: 3003600 3986.4187 20424.1028 14420.7385 250.8740 -203315.2833 2440.7165 0.0000 0.0000 51966.9024 -109825.5304 298.6545 -161792.4327 -109466.4572 298.0981 -7.0914 13.8343 761001.4692 -10.6970 -10.7737 PRESSURE: 3003800 -19.3965 125.378 -260.878 125.378 -61.6231 73.3861 -260.878 73.3871 179.271 GPRESSURE: 3003800 51.9676 26.242 -299.281 173.84 -46.7852 29.6194 -221.587 -35.4204 155.704 PRESSAVG: 3003800 -5.01744 -8.03396 9.39892 -8.03399 36.2406 -8.41829 9.39892 -8.41826 3.29458 GPRESSAVG: 3003800 -4.42467 -9.39037 9.83883 -6.75728 35.874 -7.78884 8.905 -9.60376 2.76234 TIMING: 3003800 CPU: 9382.81, 0.00314141/step Wall: 9382.81, 0.00314142/step, 1.74191 hours remaining, 235.269531 MB of memory in use. ENERGY: 3003800 3878.1731 20520.0792 14457.0033 241.9901 -203492.0197 2676.3977 0.0000 0.0000 51840.1528 -109878.2236 297.9261 -161718.3764 -109518.0485 297.6597 32.7506 53.6288 760905.6729 11.5059 11.4039 PRESSURE: 3004000 -111.412 8.40825 53.9567 8.40815 -164.023 -136.307 53.9572 -136.307 -339.356 GPRESSURE: 3004000 -117.172 -76.9322 132.235 10.4266 -166.217 -113.361 -46.7051 -66.2454 -247.306 PRESSAVG: 3004000 -11.0092 18.9332 30.2204 18.9332 -18.0884 -33.1757 30.2205 -33.1757 -15.8256 GPRESSAVG: 3004000 -11.396 20.0371 29.9605 17.3052 -18.4834 -33.1582 31.0344 -33.267 -15.4447 TIMING: 3004000 CPU: 9383.44, 0.00313803/step Wall: 9383.44, 0.00313803/step, 1.73986 hours remaining, 235.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3004000 3981.1143 20577.0226 14458.0674 224.4551 -203718.4552 2795.8034 0.0000 0.0000 51896.6237 -109785.3687 298.2506 -161681.9924 -109415.4930 297.8635 -204.9307 -176.8986 760714.7299 -14.9744 -15.1081 PRESSURE: 3004200 -317.479 -140.721 168.424 -140.721 -270.792 -98.5572 168.424 -98.5567 -45.1023 GPRESSURE: 3004200 -296.142 -30.1707 253.69 -216.912 -217.264 -71.6014 162.874 -125.166 -27.5833 PRESSAVG: 3004200 -6.82223 -24.3962 107.561 -24.3962 -6.42108 -29.0298 107.561 -29.0297 -7.9981 GPRESSAVG: 3004200 -6.7595 -23.2744 108.804 -24.7776 -6.24327 -29.9565 106.854 -27.8154 -7.6369 TIMING: 3004200 CPU: 9384.07, 0.00312924/step Wall: 9384.07, 0.00312923/step, 1.73481 hours remaining, 235.269531 MB of memory in use. ENERGY: 3004200 4027.6491 20247.2010 14488.2079 246.3814 -203061.8276 2408.7611 0.0000 0.0000 51960.1377 -109683.4895 298.6156 -161643.6271 -109324.8299 298.1208 -211.1243 -180.3299 762428.8337 -7.0805 -6.8799 LDB: ============= START OF LOAD BALANCING ============== 9396.55 LDB: ============== END OF LOAD BALANCING =============== 9396.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9396.55 LDB: ============= START OF LOAD BALANCING ============== 9396.86 LDB: Largest compute 7007 load 0.028854 is 14.8% of average load 0.194998 LDB: Average compute 0.004384 is 2.2% of average load 0.194998 LDB: TIME 9396.86 LOAD: AVG 0.194998 MAX 0.220571 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.766 MB LDB: TIME 9396.86 LOAD: AVG 0.194998 MAX 0.220571 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.766 MB LDB: TIME 9396.86 LOAD: AVG 0.194998 MAX 0.216494 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.766 MB LDB: ============== END OF LOAD BALANCING =============== 9396.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9396.87 PRESSURE: 3004400 -523.654 137.336 -112.116 137.335 -236.356 -46.2955 -112.117 -46.2949 -232.556 GPRESSURE: 3004400 -431.395 -26.7557 -93.8945 8.43388 -130.382 -71.2344 57.5543 -1.4219 -329.74 PRESSAVG: 3004400 -23.8005 21.7949 48.9435 21.795 -2.80633 12.6169 48.9435 12.6169 -0.996737 GPRESSAVG: 3004400 -23.9479 20.7574 47.6113 22.629 -1.96006 13.4343 47.9096 12.4491 -0.920969 TIMING: 3004400 CPU: 9384.71, 0.00319117/step Wall: 9384.71, 0.00319117/step, 1.76897 hours remaining, 234.511719 MB of memory in use. ENERGY: 3004400 3972.1706 20483.7217 14431.8797 247.3870 -203180.3464 2338.6078 0.0000 0.0000 51827.3993 -109879.1802 297.8528 -161706.5795 -109517.7238 297.6636 -330.8552 -297.1724 762240.9903 -9.2012 -8.9430 PRESSURE: 3004600 -97.9337 -109.729 129.369 -109.729 39.5764 -20.7291 129.369 -20.7292 -172.557 GPRESSURE: 3004600 -65.7613 -141.367 140.978 -60.7091 37.995 23.7119 64.9318 -3.09122 -126.796 PRESSAVG: 3004600 0.523497 100.266 -55.9302 100.266 -2.20312 4.60144 -55.9302 4.60139 21.7119 GPRESSAVG: 3004600 1.16416 99.2315 -55.0632 101.181 -2.38851 6.32852 -53.3538 3.93838 20.7517 TIMING: 3004600 CPU: 9385.33, 0.00312883/step Wall: 9385.33, 0.00312883/step, 1.73424 hours remaining, 234.511719 MB of memory in use. ENERGY: 3004600 3999.1441 20313.6923 14457.7939 234.3432 -203443.7475 2817.6923 0.0000 0.0000 51844.2504 -109776.8312 297.9496 -161621.0816 -109436.3414 297.7903 -76.9714 -51.5209 762390.9792 6.6774 6.5091 PRESSURE: 3004800 -394.534 -273.323 -104.761 -273.322 -68.9367 -87.3487 -104.762 -87.3495 17.3622 GPRESSURE: 3004800 -210.35 -222.027 40.8628 -265.797 -159.263 -135.56 -179.66 -55.0595 15.9228 PRESSAVG: 3004800 -26.8669 42.4614 66.1727 42.4614 42.7347 -58.0371 66.1727 -58.0371 -5.96548 GPRESSAVG: 3004800 -26.2697 42.5952 66.4094 44.7293 42.2244 -60.0562 63.9587 -56.6327 -5.61837 TIMING: 3004800 CPU: 9385.96, 0.00313731/step Wall: 9385.96, 0.00313731/step, 1.73877 hours remaining, 234.511719 MB of memory in use. ENERGY: 3004800 4015.9135 20421.6274 14453.5368 257.0131 -203821.1078 3015.1662 0.0000 0.0000 52004.2924 -109653.5583 298.8694 -161657.8507 -109307.6481 298.6172 -148.7029 -117.8968 762703.9627 3.3008 3.4454 PRESSURE: 3005000 124.316 172.069 142.609 172.07 75.0888 -105.29 142.609 -105.29 207.484 GPRESSURE: 3005000 111.381 187.383 160.494 181.755 201.942 -159.182 183.315 -163.797 185.66 PRESSAVG: 3005000 45.5481 1.57965 31.3176 1.57967 -23.3787 -21.1574 31.3176 -21.1574 -0.00104772 GPRESSAVG: 3005000 45.55 1.75844 29.7454 -2.25645 -23.3284 -21.1377 32.0922 -22.6343 0.0610879 TIMING: 3005000 CPU: 9386.59, 0.00314847/step Wall: 9386.59, 0.00314847/step, 1.74477 hours remaining, 234.511719 MB of memory in use. ENERGY: 3005000 3965.7809 20224.6687 14446.3300 256.3058 -203435.0539 2624.4598 0.0000 0.0000 52104.4629 -109813.0458 299.4451 -161917.5087 -109451.4437 298.2855 135.6294 166.3277 761249.0757 7.3894 7.4276 PRESSURE: 3005200 5.47439 7.4812 76.9717 7.48022 57.9223 -184.801 76.9714 -184.802 152.819 GPRESSURE: 3005200 124.95 -46.6018 108.943 -19.6586 41.1762 -110.593 125.628 -53.2375 128.715 PRESSAVG: 3005200 35.5749 37.3182 55.5052 37.3183 -48.9305 -38.2983 55.5051 -38.2984 -9.37465 GPRESSAVG: 3005200 34.8598 39.3266 56.6512 36.6861 -49.5724 -36.9949 55.1029 -39.5007 -7.93154 TIMING: 3005200 CPU: 9387.22, 0.00314314/step Wall: 9387.22, 0.00314314/step, 1.74165 hours remaining, 234.511719 MB of memory in use. ENERGY: 3005200 3964.2828 20293.6698 14436.7740 235.6558 -203402.4131 2723.0599 0.0000 0.0000 52042.6574 -109706.3134 299.0899 -161748.9708 -109357.1937 298.2967 72.0720 98.2804 759593.0602 -7.5768 -7.5480 PRESSURE: 3005400 -52.6378 -4.98241 -62.8052 -4.98175 -120.576 -43.7518 -62.8048 -43.7506 -326.355 GPRESSURE: 3005400 -80.4124 37.2273 -58.3113 -33.0536 -104.076 -70.8771 -60.5632 -8.00117 -236.374 PRESSAVG: 3005400 32.0053 69.0186 55.3919 69.0185 -33.5276 3.28892 55.3919 3.28897 7.4683 GPRESSAVG: 3005400 32.6144 67.3875 54.1307 71.1257 -32.8625 1.64084 54.6871 6.9792 6.25494 TIMING: 3005400 CPU: 9387.84, 0.00313548/step Wall: 9387.84, 0.00313548/step, 1.73723 hours remaining, 234.511719 MB of memory in use. ENERGY: 3005400 4067.6972 20483.8008 14481.5378 251.6116 -203146.5434 2316.1923 0.0000 0.0000 51811.7069 -109733.9967 297.7626 -161545.7036 -109382.7500 298.2337 -166.5229 -140.2874 760106.6453 1.9820 2.0023 PRESSURE: 3005600 -186.861 -320.057 -124.19 -320.058 155.514 43.904 -124.19 43.9048 -159.12 GPRESSURE: 3005600 -93.2143 -272.585 -167.406 -266.53 117.062 -41.2126 -94.1224 129.748 -125.908 PRESSAVG: 3005600 20.1475 27.0796 5.8318 27.0796 16.9475 -0.196778 5.83175 -0.196892 17.1029 GPRESSAVG: 3005600 20.1561 27.6761 5.73853 25.7791 17.5554 1.00428 5.86697 -1.06046 16.4925 TIMING: 3005600 CPU: 9388.47, 0.00312278/step Wall: 9388.47, 0.00312278/step, 1.73002 hours remaining, 234.511719 MB of memory in use. ENERGY: 3005600 3913.6999 20419.9153 14482.0045 241.6877 -203143.0684 2455.0131 0.0000 0.0000 52186.7318 -109444.0159 299.9179 -161630.7478 -109083.1050 298.6394 -63.4888 -34.0202 760691.7092 18.0660 18.0680 PRESSURE: 3005800 -186.419 59.7289 -155.335 59.7279 36.4982 20.0231 -155.335 20.023 210.556 GPRESSURE: 3005800 -148.278 18.3969 -94.1725 174.655 85.583 14.7583 -206.634 -0.894138 215.943 PRESSAVG: 3005800 9.26809 29.5475 16.1557 29.5475 14.5027 -28.6567 16.1557 -28.6566 8.39675 GPRESSAVG: 3005800 8.07762 29.5838 15.5454 28.8244 13.9617 -29.4309 17.9421 -30.1325 9.73381 TIMING: 3005800 CPU: 9389.09, 0.00312248/step Wall: 9389.09, 0.00312248/step, 1.72968 hours remaining, 234.511719 MB of memory in use. ENERGY: 3005800 3967.2302 20396.7828 14461.9876 246.5841 -202650.1604 2184.2066 0.0000 0.0000 52024.7453 -109368.6239 298.9869 -161393.3692 -109012.8969 298.8171 20.2117 51.0829 761201.8758 10.7225 10.5910 PRESSURE: 3006000 -206.213 143.786 238.575 143.787 -24.6284 -1.66575 238.574 -1.66589 181.401 GPRESSURE: 3006000 -148.075 114.472 301.162 11.3084 49.8671 -13.8057 15.5983 82.3458 130.886 PRESSAVG: 3006000 -62.6534 56.5625 12.3635 56.5625 25.5885 -23.7549 12.3635 -23.7549 -5.53508 GPRESSAVG: 3006000 -61.7629 56.1683 13.9312 55.5387 24.777 -23.1451 9.91282 -22.9925 -5.35559 TIMING: 3006000 CPU: 9389.72, 0.00314155/step Wall: 9389.72, 0.00314155/step, 1.74007 hours remaining, 234.511719 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: 3006000 3937.7290 20336.1287 14474.5934 250.9612 -202945.8022 2664.6968 0.0000 0.0000 52130.0877 -109151.6054 299.5923 -161281.6931 -108793.6589 299.1302 -16.4800 10.8927 762855.7475 -14.2000 -14.1138 PRESSURE: 3006200 -218.382 -56.3269 -70.4761 -56.3266 25.6807 -140.772 -70.4754 -140.771 90.0612 GPRESSURE: 3006200 -182.191 -23.8787 -66.2349 25.9266 21.8227 -118.721 -77.0998 -206.993 118.596 PRESSAVG: 3006200 7.51947 69.734 57.5866 69.7339 2.504 -27.2447 57.5865 -27.2447 -1.32539 GPRESSAVG: 3006200 7.92999 69.946 57.6026 71.4989 2.56222 -27.9239 57.6801 -25.7261 -2.5471 TIMING: 3006200 CPU: 9390.35, 0.00313931/step Wall: 9390.35, 0.00313931/step, 1.73866 hours remaining, 234.511719 MB of memory in use. ENERGY: 3006200 3981.8410 20593.7685 14391.7605 250.3486 -203376.2493 2620.9934 0.0000 0.0000 52298.2197 -109239.3176 300.5586 -161537.5373 -108880.1912 299.5441 -34.2134 -13.9242 761939.2933 2.8994 2.6484 PRESSURE: 3006400 -138.038 136.129 -258.309 136.128 -46.6947 -52.2554 -258.31 -52.2569 427.014 GPRESSURE: 3006400 -32.3756 117.372 -151.211 122.572 -26.313 -90.7828 -279.006 -19.3305 381.863 PRESSAVG: 3006400 -4.52225 49.2936 15.791 49.2937 -20.7282 33.8356 15.791 33.8356 41.1324 GPRESSAVG: 3006400 -5.09249 50.3349 15.6531 47.7413 -20.9532 33.7107 17.0865 31.9451 41.7712 TIMING: 3006400 CPU: 9390.98, 0.00313163/step Wall: 9390.98, 0.00313163/step, 1.73422 hours remaining, 234.511719 MB of memory in use. ENERGY: 3006400 3953.4865 20383.0495 14453.1615 247.5675 -203371.4305 2788.1352 0.0000 0.0000 52077.1831 -109468.8472 299.2883 -161546.0303 -109114.1526 299.3059 80.7603 107.7249 760939.7090 5.2940 5.2418 PRESSURE: 3006600 488.048 151.302 87.2823 151.302 -33.536 102.358 87.2821 102.359 55.3496 GPRESSURE: 3006600 520.769 226.608 33.9301 164.903 3.3902 129.338 102.754 144.504 71.8161 PRESSAVG: 3006600 19.1698 9.97728 -28.3248 9.97729 -2.22947 14.6044 -28.3248 14.6043 8.30597 GPRESSAVG: 3006600 18.7962 11.8026 -28.9813 8.56831 -0.525559 15.2473 -25.4746 14.9979 7.36797 TIMING: 3006600 CPU: 9391.6, 0.00314219/step Wall: 9391.6, 0.00314219/step, 1.7399 hours remaining, 234.511719 MB of memory in use. ENERGY: 3006600 3971.4626 20359.3071 14468.2037 255.0372 -202896.7317 2359.7513 0.0000 0.0000 52103.5070 -109379.4628 299.4396 -161482.9698 -109019.1175 298.8583 169.9540 198.6584 759957.1893 8.4154 8.5462 PRESSURE: 3006800 -315.633 -40.9137 282.87 -40.9131 -189.036 -122.36 282.87 -122.361 169.552 GPRESSURE: 3006800 -228.318 22.489 250.234 -62.3412 -152.598 -232.437 295.923 -73.1194 145.037 PRESSAVG: 3006800 14.0974 32.2735 54.2155 32.2735 26.129 5.00217 54.2156 5.0021 8.23659 GPRESSAVG: 3006800 13.7867 30.1191 53.7569 35.6242 25.9915 5.37597 49.9266 6.53007 8.95751 TIMING: 3006800 CPU: 9392.23, 0.00314916/step Wall: 9392.23, 0.00314917/step, 1.74359 hours remaining, 234.511719 MB of memory in use. ENERGY: 3006800 3979.1102 20355.7955 14539.0759 234.7546 -202952.1577 2410.9820 0.0000 0.0000 52052.3435 -109380.0959 299.1455 -161432.4394 -109021.7451 299.0541 -111.7056 -78.6264 761027.5355 16.1544 16.2452 PRESSURE: 3007000 -380.398 25.4065 20.736 25.4062 119.447 -163.624 20.7359 -163.624 213.161 GPRESSURE: 3007000 -303.115 115.57 31.2594 128.214 129.582 -146.452 74.8346 -80.2259 207.118 PRESSAVG: 3007000 -55.7248 42.6315 -8.09179 42.6315 45.0108 -113.465 -8.09182 -113.465 3.7593 GPRESSAVG: 3007000 -54.5107 39.7298 -8.17582 45.3307 44.0619 -112.544 -7.41036 -114.591 3.12781 TIMING: 3007000 CPU: 9392.86, 0.00312785/step Wall: 9392.86, 0.00312785/step, 1.73161 hours remaining, 234.511719 MB of memory in use. ENERGY: 3007000 4068.2142 20431.0279 14479.2320 246.7113 -202993.3611 2448.5221 0.0000 0.0000 52040.4869 -109279.1667 299.0774 -161319.6535 -108923.4503 299.6935 -15.9303 11.1952 761004.0216 -2.3182 -2.4403 PRESSURE: 3007200 177.014 114.303 66.9583 114.303 9.30874 58.2411 66.9577 58.241 159.86 GPRESSURE: 3007200 213.005 6.33148 65.0025 144.007 4.4353 34.6626 -26.605 14.9103 223.021 PRESSAVG: 3007200 -4.40284 3.89654 -36.3456 3.8965 -18.1272 -18.1252 -36.3456 -18.1251 22.0485 GPRESSAVG: 3007200 -5.19205 5.85443 -36.0924 0.318526 -18.9044 -18.4287 -36.0621 -18.3638 23.2814 TIMING: 3007200 CPU: 9393.48, 0.00312534/step Wall: 9393.48, 0.00312534/step, 1.73005 hours remaining, 234.511719 MB of memory in use. ENERGY: 3007200 3962.7302 20615.7778 14419.7446 244.5028 -203560.8455 2875.1982 0.0000 0.0000 51997.7395 -109445.1523 298.8317 -161442.8918 -109094.1616 299.5708 115.3943 146.8203 759415.3405 -0.1605 -0.2717 PRESSURE: 3007400 55.0719 76.2238 52.037 76.2242 112.58 123.083 52.0375 123.082 -117.395 GPRESSURE: 3007400 136.371 84.1007 91.1304 -34.052 187.25 -53.0766 141.001 145.895 -169.331 PRESSAVG: 3007400 -43.3394 39.2234 1.07327 39.2234 29.024 -9.49728 1.07324 -9.49732 18.5513 GPRESSAVG: 3007400 -43.7406 39.1196 1.69896 39.0483 29.2854 -11.5866 2.42419 -9.23938 17.9911 TIMING: 3007400 CPU: 9394.11, 0.00310989/step Wall: 9394.11, 0.00310989/step, 1.72132 hours remaining, 234.511719 MB of memory in use. ENERGY: 3007400 3984.2710 20243.8556 14436.9962 235.8939 -203333.3809 2787.3090 0.0000 0.0000 52116.1544 -109528.9009 299.5123 -161645.0553 -109152.5864 299.1241 16.7525 51.4296 760349.8580 1.4120 1.1787 PRESSURE: 3007600 82.9869 -2.19323 11.263 -2.19319 -205.78 6.63182 11.2625 6.63155 -404.019 GPRESSURE: 3007600 134.804 60.7353 -18.8095 -0.996849 -169.582 -2.37262 -11.356 189.43 -387.668 PRESSAVG: 3007600 -19.6864 11.23 -0.207174 11.23 43.8521 23.9466 -0.207178 23.9466 -3.23072 GPRESSAVG: 3007600 -19.6894 10.6365 0.294433 12.3948 43.3767 24.4459 0.672817 25.1027 -2.40224 TIMING: 3007600 CPU: 9394.73, 0.00312535/step Wall: 9394.73, 0.00312535/step, 1.72971 hours remaining, 234.511719 MB of memory in use. ENERGY: 3007600 3976.7024 20604.1748 14455.0013 257.2639 -203633.6745 2775.8828 0.0000 0.0000 51995.1249 -109569.5246 298.8167 -161564.6494 -109222.4788 298.8773 -175.6039 -140.8154 761495.2477 6.9783 7.0950 PRESSURE: 3007800 -60.3327 -143.052 -119.16 -143.052 -37.0614 125.011 -119.16 125.012 -287.588 GPRESSURE: 3007800 16.8807 -194.236 -74.7093 -169.857 -88.5146 74.3336 -138.254 103.36 -244.318 PRESSAVG: 3007800 47.1765 -26.7026 21.687 -26.7027 -48.5428 63.7309 21.687 63.7309 -11.8245 GPRESSAVG: 3007800 47.5698 -26.7867 21.1195 -27.4567 -48.0634 62.6898 21.6225 63.754 -12.6666 TIMING: 3007800 CPU: 9395.36, 0.00313222/step Wall: 9395.36, 0.00313222/step, 1.73333 hours remaining, 234.511719 MB of memory in use. ENERGY: 3007800 3952.8503 20687.1893 14412.9885 251.3283 -203247.7819 2712.4626 0.0000 0.0000 51695.2223 -109535.7405 297.0932 -161230.9628 -109176.2559 298.8614 -128.3273 -105.3173 763283.7064 -4.3970 -4.3867 PRESSURE: 3008000 164.658 -72.7811 96.9234 -72.7811 -51.5362 -5.10592 96.9244 -5.10622 -301.396 GPRESSURE: 3008000 238.323 -143.396 137.389 -29.0312 -21.1686 -92.2536 105.547 117.333 -316.548 PRESSAVG: 3008000 3.42298 2.47243 37.7882 2.47242 -12.5663 17.3357 37.7883 17.3358 -13.2935 GPRESSAVG: 3008000 3.47315 4.48781 38.6099 2.64771 -13.6953 16.2764 37.529 18.771 -13.0697 TIMING: 3008000 CPU: 9395.98, 0.00312854/step Wall: 9395.98, 0.00312854/step, 1.73113 hours remaining, 234.511719 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: 3008000 4055.2270 20556.8210 14377.0983 225.3702 -203090.8306 2661.0267 0.0000 0.0000 51729.3572 -109485.9303 297.2893 -161215.2875 -109132.9634 298.8948 -62.7581 -33.1312 762001.0487 -7.4789 -7.7639 PRESSURE: 3008200 -337.207 -26.2211 107.007 -26.221 285.455 -286.027 107.007 -286.026 -64.2005 GPRESSURE: 3008200 -210.277 41.2668 27.0586 62.8861 238.572 -187.717 116.574 -200.105 -33.1282 PRESSAVG: 3008200 -3.57573 7.54477 85.4856 7.5448 17.9736 9.4385 85.4855 9.43837 36.5659 GPRESSAVG: 3008200 -3.26286 5.36673 82.825 7.74084 18.8474 9.93344 84.955 8.99665 35.2444 TIMING: 3008200 CPU: 9396.61, 0.00313909/step Wall: 9396.61, 0.00313909/step, 1.73679 hours remaining, 234.511719 MB of memory in use. ENERGY: 3008200 3957.2716 20357.6022 14426.7670 250.1539 -202791.7103 2161.0991 0.0000 0.0000 51936.3432 -109702.4733 298.4789 -161638.8165 -109333.1100 298.6001 -38.6508 -1.6111 762036.9613 16.9879 16.9430 LDB: ============= START OF LOAD BALANCING ============== 9409.09 LDB: ============== END OF LOAD BALANCING =============== 9409.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9409.09 LDB: ============= START OF LOAD BALANCING ============== 9409.41 LDB: Largest compute 7007 load 0.028848 is 14.8% of average load 0.195060 LDB: Average compute 0.004379 is 2.2% of average load 0.195060 LDB: TIME 9409.41 LOAD: AVG 0.19506 MAX 0.216567 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.891 MB LDB: TIME 9409.42 LOAD: AVG 0.19506 MAX 0.216567 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.09 MB LDB: TIME 9409.42 LOAD: AVG 0.19506 MAX 0.216567 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.09 MB LDB: ============== END OF LOAD BALANCING =============== 9409.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9409.42 PRESSURE: 3008400 14.9422 181.479 -247.101 181.48 218.598 153.866 -247.101 153.865 19.1608 GPRESSURE: 3008400 129.686 146.914 -128.47 222.873 190.179 129.059 -170.767 78.6922 17.5506 PRESSAVG: 3008400 -14.0926 -1.66221 -0.35973 -1.66221 18.6682 12.462 -0.359746 12.4622 10.2886 GPRESSAVG: 3008400 -14.1734 -2.26621 0.740757 -1.74785 18.0754 13.2082 -1.21803 9.33596 10.9849 TIMING: 3008400 CPU: 9397.26, 0.00322211/step Wall: 9397.26, 0.00322211/step, 1.78254 hours remaining, 233.539062 MB of memory in use. ENERGY: 3008400 4050.7418 20658.3488 14421.0770 244.4500 -203622.8969 2998.6697 0.0000 0.0000 51866.4272 -109383.1825 298.0771 -161249.6097 -109032.4616 298.4201 84.2337 112.4717 763019.1365 4.9547 4.9623 PRESSURE: 3008600 -411.184 -61.5334 4.90361 -61.534 -61.7535 -70.7358 4.90304 -70.7344 -133.475 GPRESSURE: 3008600 -373.842 -135.314 -2.35997 -130.228 -18.678 -69.2053 -152.911 -44.6009 -119.699 PRESSAVG: 3008600 37.8368 37.4241 -21.836 37.4241 -7.43745 14.6129 -21.8359 14.6129 4.40236 GPRESSAVG: 3008600 37.9206 39.1434 -21.3465 35.5888 -6.48696 12.7522 -21.7264 16.7014 3.60452 TIMING: 3008600 CPU: 9397.89, 0.00315413/step Wall: 9397.89, 0.00315413/step, 1.74476 hours remaining, 233.539062 MB of memory in use. ENERGY: 3008600 3986.0191 20558.5547 14401.2877 258.4028 -202974.5181 2478.9604 0.0000 0.0000 51901.2294 -109390.0640 298.2771 -161291.2934 -109027.5227 298.8690 -202.1376 -170.7397 764111.3160 11.6006 11.6794 PRESSURE: 3008800 319.448 -54.2184 -83.1613 -54.2184 -2.41396 -150.32 -83.1616 -150.32 290.268 GPRESSURE: 3008800 350.822 40.9252 -73.802 -85.5892 29.8399 -168.616 -181.337 -169.765 312.568 PRESSAVG: 3008800 1.2419 30.6512 -9.32222 30.6512 17.2831 25.5804 -9.32217 25.5804 19.4096 GPRESSAVG: 3008800 -0.362997 29.2412 -8.04868 31.4089 16.408 28.4428 -10.5013 24.8639 21.7442 TIMING: 3008800 CPU: 9398.51, 0.00312999/step Wall: 9398.51, 0.00312999/step, 1.73123 hours remaining, 233.539062 MB of memory in use. ENERGY: 3008800 4019.8035 20353.9468 14435.0079 234.9530 -203523.9196 2837.8135 0.0000 0.0000 52107.2710 -109535.1240 299.4612 -161642.3950 -109180.0893 298.9259 202.4339 231.0767 760374.6471 12.6449 12.5964 PRESSURE: 3009000 103.676 214.877 -142.587 214.876 201.471 -92.9161 -142.587 -92.9168 -362.194 GPRESSURE: 3009000 235.057 135.31 -146.979 89.9067 136.644 -77.5909 -37.6166 10.3713 -335.713 PRESSAVG: 3009000 -36.732 -31.7323 25.0647 -31.7322 0.456221 4.52271 25.0648 4.52265 -14.6941 GPRESSAVG: 3009000 -35.3086 -31.8492 24.9726 -31.3634 -0.105161 2.94692 25.1124 4.87813 -15.7873 TIMING: 3009000 CPU: 9399.14, 0.00315179/step Wall: 9399.14, 0.00315179/step, 1.74312 hours remaining, 233.539062 MB of memory in use. ENERGY: 3009000 3960.9477 20505.5092 14506.9247 220.7222 -203471.7223 2729.4236 0.0000 0.0000 51908.0379 -109640.1571 298.3162 -161548.1950 -109283.7730 298.5057 -19.0158 11.9958 762580.7726 -16.9900 -17.0670 PRESSURE: 3009200 -9.98449 -11.2879 -29.5395 -11.288 -163.875 278.446 -29.5392 278.446 -2.7374 GPRESSURE: 3009200 65.0813 -52.1589 -57.8717 23.8916 -122.387 294.301 14.587 187.111 -20.6875 PRESSAVG: 3009200 32.4093 -22.8314 -8.91464 -22.8315 -23.5971 -3.04757 -8.9147 -3.04757 -39.6721 GPRESSAVG: 3009200 32.1277 -20.4708 -10.7698 -22.566 -23.9143 -0.637855 -8.63399 -5.25548 -39.0076 TIMING: 3009200 CPU: 9399.77, 0.00313879/step Wall: 9399.77, 0.00313879/step, 1.73575 hours remaining, 233.539062 MB of memory in use. ENERGY: 3009200 4013.5380 20555.2129 14370.8077 246.4359 -203339.3769 2736.7958 0.0000 0.0000 51972.4026 -109444.1840 298.6861 -161416.5866 -109080.9241 298.4706 -58.8655 -25.9978 762377.6335 -10.2866 -10.2648 PRESSURE: 3009400 -225.993 143.045 204.08 143.045 -485.475 146.091 204.08 146.091 -560.857 GPRESSURE: 3009400 -267.831 178.341 165.669 81.3574 -394.703 204.769 200.615 82.2935 -522.936 PRESSAVG: 3009400 -18.47 17.0821 25.4019 17.0821 15.0211 1.50421 25.4019 1.50429 -19.7919 GPRESSAVG: 3009400 -18.7175 18.2858 25.9152 15.3883 15.9448 -1.1471 28.1618 2.90904 -20.4833 TIMING: 3009400 CPU: 9400.4, 0.00313537/step Wall: 9400.4, 0.00313537/step, 1.73369 hours remaining, 233.539062 MB of memory in use. ENERGY: 3009400 3996.8649 20393.9794 14389.1596 259.9039 -203167.2316 2592.6640 0.0000 0.0000 51730.3968 -109804.2629 297.2953 -161534.6597 -109439.8676 298.2677 -424.1080 -395.1569 763201.4771 -7.7470 -7.7520 PRESSURE: 3009600 -130.243 99.0545 274.087 99.0549 -147.263 83.5189 274.087 83.5192 -115.84 GPRESSURE: 3009600 -107.387 128.432 291.104 116.84 -111.675 148.047 230.971 -37.9005 -67.0687 PRESSAVG: 3009600 49.4636 28.6683 19.6869 28.6684 -78.7309 36.3381 19.687 36.3381 19.8529 GPRESSAVG: 3009600 48.5298 26.5493 18.3268 30.7203 -78.6356 36.5527 16.9627 36.5497 20.5619 TIMING: 3009600 CPU: 9401.03, 0.00313926/step Wall: 9401.03, 0.00313926/step, 1.73566 hours remaining, 233.539062 MB of memory in use. ENERGY: 3009600 3957.9538 20381.0872 14373.7001 235.5709 -203115.7843 2543.1866 0.0000 0.0000 51927.5788 -109696.7071 298.4285 -161624.2858 -109338.1280 298.1569 -131.1152 -95.3770 762704.7073 -3.1381 -3.1813 PRESSURE: 3009800 259.791 -25.1289 -179.049 -25.13 125.792 -21.2634 -179.049 -21.2632 -33.7924 GPRESSURE: 3009800 350.241 -118.59 -126.045 -72.6658 137.281 -18.5208 -0.4834 -28.5382 -49.2048 PRESSAVG: 3009800 16.5937 11.2305 -16.0365 11.2305 14.2665 -4.51955 -16.0365 -4.51958 -16.4875 GPRESSAVG: 3009800 18.1174 11.6164 -12.9474 8.87677 13.0333 -3.88389 -14.2639 -5.14075 -16.9309 TIMING: 3009800 CPU: 9401.65, 0.00312723/step Wall: 9401.65, 0.00312723/step, 1.72884 hours remaining, 233.539062 MB of memory in use. ENERGY: 3009800 3944.4460 20365.7954 14395.4481 241.4964 -203307.7520 2663.4661 0.0000 0.0000 51866.3354 -109830.7646 298.0765 -161697.1001 -109481.0207 298.1397 117.2636 146.1056 761664.6782 4.7909 4.7400 PRESSURE: 3010000 -55.0529 -143.427 -124.178 -143.428 -265.492 -212.078 -124.177 -212.078 77.3507 GPRESSURE: 3010000 -111.596 -167.082 -136.503 -202.824 -100.266 -142.608 -126.12 -89.183 32.0712 PRESSAVG: 3010000 0.463241 10.347 -14.7797 10.347 -33.3826 19.4856 -14.7796 19.4856 9.41404 GPRESSAVG: 3010000 -1.35884 12.1239 -14.6766 10.8729 -31.0437 20.1882 -14.8322 20.0744 8.87815 TIMING: 3010000 CPU: 9402.28, 0.00314567/step Wall: 9402.28, 0.00314567/step, 1.73886 hours remaining, 233.539062 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: 3010000 3951.1493 20319.1302 14442.2783 260.6155 -203372.4122 2694.2252 0.0000 0.0000 52020.1799 -109684.8338 298.9607 -161705.0137 -109327.8153 298.4002 -81.0649 -59.9301 763699.6808 -7.8351 -7.8415 PRESSURE: 3010200 101.27 -12.3054 100.434 -12.305 -141.648 -6.67079 100.434 -6.67053 410.92 GPRESSURE: 3010200 193.178 1.57718 78.3937 58.9466 -148.288 -50.6405 169.502 -10.8514 403.438 PRESSAVG: 3010200 12.1014 38.5714 13.6084 38.5714 -7.73505 12.1923 13.6084 12.1924 24.6247 GPRESSAVG: 3010200 13.3819 37.1081 10.3042 37.7197 -8.27108 11.4406 12.2014 11.7489 24.1173 TIMING: 3010200 CPU: 9402.91, 0.00313575/step Wall: 9402.91, 0.00313574/step, 1.7332 hours remaining, 233.539062 MB of memory in use. ENERGY: 3010200 3945.4681 20595.7868 14411.2962 271.4341 -203566.2401 2870.2763 0.0000 0.0000 51928.0022 -109543.9764 298.4309 -161471.9786 -109189.3916 298.9743 123.5143 149.4427 761931.1828 9.6637 9.7427 PRESSURE: 3010400 -21.1588 124.94 -26.6044 124.941 274.537 49.6316 -26.605 49.6316 221.07 GPRESSURE: 3010400 86.0063 201.225 -76.6899 151.107 284.454 46.3008 -160.734 42.7507 184.406 PRESSAVG: 3010400 -7.00287 75.2232 -17.7749 75.2232 -40.4771 14.1513 -17.7749 14.1513 30.5781 GPRESSAVG: 3010400 -7.16509 75.5612 -15.8127 77.0162 -41.0745 13.7454 -15.5635 13.8942 31.7855 TIMING: 3010400 CPU: 9403.54, 0.00313872/step Wall: 9403.54, 0.00313872/step, 1.73467 hours remaining, 233.539062 MB of memory in use. ENERGY: 3010400 3911.8552 20396.6626 14476.9237 251.4490 -203379.1295 2753.8989 0.0000 0.0000 52029.4817 -109558.8585 299.0141 -161588.3401 -109199.8434 298.8488 158.1494 184.9556 762676.1720 -5.6340 -5.4847 PRESSURE: 3010600 -264.456 190.985 -49.1408 190.985 -240.214 -99.3248 -49.1406 -99.3253 176.559 GPRESSURE: 3010600 -135.571 71.7094 -120.732 188.869 -156.981 -86.6479 -127.388 4.58181 54.9421 PRESSAVG: 3010600 29.5544 13.5621 -21.3894 13.562 -12.9677 -9.593 -21.3894 -9.59297 5.26544 GPRESSAVG: 3010600 30.5819 11.9723 -20.6824 13.9333 -12.9047 -8.44757 -23.5977 -9.78916 4.10626 TIMING: 3010600 CPU: 9404.16, 0.00314485/step Wall: 9404.16, 0.00314485/step, 1.73788 hours remaining, 233.539062 MB of memory in use. ENERGY: 3010600 4000.9032 20241.4484 14401.5538 263.7237 -203248.7934 2633.0529 0.0000 0.0000 52000.8516 -109707.2597 298.8496 -161708.1113 -109337.5925 298.7225 -109.3706 -79.2030 763145.8822 7.2840 7.2611 PRESSURE: 3010800 -451.393 104.592 -20.4591 104.593 135.995 -40.386 -20.4579 -40.3852 -146.502 GPRESSURE: 3010800 -394.494 237.034 -42.4994 191.619 58.6464 -95.6294 27.9062 -52.5471 -27.454 PRESSAVG: 3010800 -37.8332 67.4829 -1.4878 67.4829 4.62473 -3.39087 -1.48784 -3.39092 12.5725 GPRESSAVG: 3010800 -39.4726 69.4214 -3.00548 66.5798 3.98158 -4.63231 -2.10423 -1.83444 14.8389 TIMING: 3010800 CPU: 9404.79, 0.003132/step Wall: 9404.79, 0.003132/step, 1.7306 hours remaining, 233.539062 MB of memory in use. ENERGY: 3010800 3947.1652 20384.0632 14439.0805 233.4296 -202741.4485 2188.5163 0.0000 0.0000 51803.4532 -109745.7405 297.7152 -161549.1936 -109385.0677 298.1644 -153.9666 -121.1006 762931.9210 -6.8786 -6.8840 PRESSURE: 3011000 -146.791 -227.496 46.9852 -227.497 18.6962 152.714 46.9846 152.713 68.312 GPRESSURE: 3011000 -102.142 -135.95 16.2689 -195.802 71.144 179.772 -8.19137 21.2387 41.7338 PRESSAVG: 3011000 -44.2996 18.1789 -64.109 18.1789 -1.4114 30.6314 -64.109 30.6314 -11.785 GPRESSAVG: 3011000 -43.3377 17.55 -63.1327 18.4623 -0.957982 31.8615 -60.4655 28.6826 -13.0513 TIMING: 3011000 CPU: 9405.42, 0.0031221/step Wall: 9405.42, 0.0031221/step, 1.72496 hours remaining, 233.539062 MB of memory in use. ENERGY: 3011000 3966.1337 20310.0287 14420.1711 242.1503 -203245.3239 2725.8734 0.0000 0.0000 51969.2709 -109611.6958 298.6681 -161580.9667 -109246.8850 298.5964 -19.9278 3.5785 763186.4299 -19.1653 -19.1156 PRESSURE: 3011200 63.0477 -90.2886 -136.45 -90.2879 -184.769 143.181 -136.45 143.182 -70.4852 GPRESSURE: 3011200 83.9477 -143.428 -198.714 -121.517 -187.137 153.989 -260.255 116.869 18.1255 PRESSAVG: 3011200 28.7638 33.2322 -6.23987 33.2322 -41.8761 85.6739 -6.23989 85.6738 11.772 GPRESSAVG: 3011200 29.0988 34.9645 -5.15545 32.9951 -41.9448 84.9823 -9.0784 85.0396 11.3105 TIMING: 3011200 CPU: 9406.04, 0.00313488/step Wall: 9406.04, 0.00313488/step, 1.73185 hours remaining, 233.539062 MB of memory in use. ENERGY: 3011200 4009.3147 20355.0985 14389.5491 241.6205 -203193.5895 2558.8117 0.0000 0.0000 51955.0283 -109684.1666 298.5863 -161639.1949 -109326.2508 298.0596 -64.0687 -28.3544 762892.3355 -0.4468 -0.5118 PRESSURE: 3011400 -199.739 99.7555 -436.776 99.7538 17.2375 38.0221 -436.775 38.0215 -323.674 GPRESSURE: 3011400 -142.288 52.4084 -371.175 8.31313 77.4855 -33.1031 -275.27 -29.6148 -334.752 PRESSAVG: 3011400 25.2746 35.0939 -29.0885 35.0939 39.3265 21.3548 -29.0884 21.3548 19.6714 GPRESSAVG: 3011400 24.8562 34.3002 -31.217 34.2646 40.2676 21.4412 -28.3936 21.6017 19.9284 TIMING: 3011400 CPU: 9406.67, 0.0031496/step Wall: 9406.67, 0.0031496/step, 1.7398 hours remaining, 233.539062 MB of memory in use. ENERGY: 3011400 3970.6433 20449.2812 14381.1242 223.1802 -202787.0952 2480.2791 0.0000 0.0000 51590.1383 -109692.4489 296.4892 -161282.5873 -109341.4934 298.5524 -168.7252 -133.1849 762253.2201 28.0908 28.3507 PRESSURE: 3011600 -129.017 220.917 21.0757 220.918 105.792 122.463 21.0754 122.464 -523.77 GPRESSURE: 3011600 -35.4198 221.676 -48.0084 133.085 75.8429 30.3271 74.1714 79.0824 -478.906 PRESSAVG: 3011600 -1.84064 -57.135 26.3283 -57.135 9.11591 0.862873 26.3283 0.862834 -28.9002 GPRESSAVG: 3011600 -1.68157 -60.0933 28.4316 -56.4811 9.37352 -1.44034 25.6816 2.12563 -29.6228 TIMING: 3011600 CPU: 9407.3, 0.00314999/step Wall: 9407.3, 0.00314999/step, 1.73985 hours remaining, 233.539062 MB of memory in use. ENERGY: 3011600 3949.4873 20412.2887 14408.1206 243.2859 -203096.0407 2554.8148 0.0000 0.0000 51979.4819 -109548.5615 298.7268 -161528.0434 -109188.7171 298.5434 -182.3315 -146.1608 761437.5532 -7.2083 -7.3103 PRESSURE: 3011800 107.287 -51.3305 -30.5342 -51.3305 -56.7774 5.00698 -30.5347 5.00639 185.582 GPRESSURE: 3011800 51.5078 -79.7962 49.2194 -75.7813 23.2333 -95.7043 -117.187 41.0356 260.322 PRESSAVG: 3011800 -26.5007 -34.133 8.5957 -34.1331 52.0765 34.576 8.59562 34.5759 5.51818 GPRESSAVG: 3011800 -26.9934 -30.5922 9.55319 -35.2585 51.6653 36.4956 8.40333 34.6547 6.06641 TIMING: 3011800 CPU: 9407.93, 0.00314381/step Wall: 9407.93, 0.00314381/step, 1.73626 hours remaining, 233.539062 MB of memory in use. ENERGY: 3011800 4017.5891 20602.4568 14382.7125 252.6275 -204225.2674 3161.2350 0.0000 0.0000 52088.2002 -109720.4463 299.3516 -161808.6465 -109366.0608 298.3452 78.6973 111.6877 759622.3224 10.3646 10.2461 PRESSURE: 3012000 -69.114 -3.91361 98.5488 -3.91314 -72.663 53.2117 98.5495 53.2113 -353.992 GPRESSURE: 3012000 -20.8136 4.2301 47.8368 -53.6223 -49.7818 112.055 80.6451 56.4321 -350.476 PRESSAVG: 3012000 -47.0886 -23.882 71.4735 -23.8821 27.6084 46.4763 71.4736 46.4763 -6.96448 GPRESSAVG: 3012000 -46.9411 -24.3345 70.8741 -22.4962 27.4534 46.3524 72.53 45.5444 -6.95343 TIMING: 3012000 CPU: 9408.56, 0.00313353/step Wall: 9408.56, 0.00313353/step, 1.73041 hours remaining, 233.539062 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: 3012000 3990.3134 20486.2711 14469.4153 234.4483 -203381.7800 2401.0944 0.0000 0.0000 52199.2889 -109600.9485 299.9900 -161800.2374 -109235.2597 298.9193 -165.2564 -140.3571 761415.3613 -8.8149 -8.8137 PRESSURE: 3012200 10.6727 129.32 199.934 129.32 406.238 60.0888 199.934 60.0895 129.62 GPRESSURE: 3012200 40.7962 47.1455 143.138 15.6886 378.102 33.2392 273.568 54.5909 184.079 PRESSAVG: 3012200 17.8746 -21.1932 58.615 -21.1932 19.9869 26.5448 58.6149 26.5449 6.77018 GPRESSAVG: 3012200 17.1616 -22.8945 56.8166 -21.9752 19.8011 26.317 59.3223 25.6017 7.36718 TIMING: 3012200 CPU: 9409.18, 0.00313478/step Wall: 9409.18, 0.00313478/step, 1.73092 hours remaining, 233.539062 MB of memory in use. ENERGY: 3012200 3924.2818 20485.1911 14560.2105 256.4076 -203771.9260 2743.7093 0.0000 0.0000 52246.5407 -109555.5850 300.2616 -161802.1257 -109192.9350 299.1566 182.1771 200.9924 760901.0454 14.8772 14.7766 LDB: ============= START OF LOAD BALANCING ============== 9421.66 LDB: ============== END OF LOAD BALANCING =============== 9421.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9421.66 LDB: ============= START OF LOAD BALANCING ============== 9421.98 LDB: Largest compute 7007 load 0.029106 is 14.9% of average load 0.195029 LDB: Average compute 0.004396 is 2.3% of average load 0.195029 LDB: TIME 9421.98 LOAD: AVG 0.195029 MAX 0.216624 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.051 MB LDB: TIME 9421.98 LOAD: AVG 0.195029 MAX 0.216624 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.25 MB LDB: TIME 9421.98 LOAD: AVG 0.195029 MAX 0.216624 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.25 MB LDB: ============== END OF LOAD BALANCING =============== 9421.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9421.99 PRESSURE: 3012400 -225.79 117.258 -61.7396 117.258 5.22904 -345.412 -61.74 -345.412 -458.452 GPRESSURE: 3012400 -225.593 93.3311 23.1813 19.6377 47.359 -429.445 -127.84 -344.408 -402.109 PRESSAVG: 3012400 20.522 -12.9239 2.77649 -12.9239 43.1176 -11.861 2.77649 -11.8611 18.2507 GPRESSAVG: 3012400 22.909 -12.1253 3.36255 -13.8323 42.6085 -12.6641 3.51134 -12.0616 16.5455 TIMING: 3012400 CPU: 9409.82, 0.00318906/step Wall: 9409.82, 0.00318906/step, 1.76072 hours remaining, 234.820312 MB of memory in use. ENERGY: 3012400 4045.0668 20432.7364 14371.5784 255.8024 -203508.7012 2699.6495 0.0000 0.0000 52155.8219 -109548.0459 299.7402 -161703.8678 -109184.0047 298.7841 -226.3378 -193.4477 761831.2595 27.2968 27.3543 PRESSURE: 3012600 -126.886 -38.7581 -7.91892 -38.7574 409.028 -87.8576 -7.91888 -87.8593 -86.0752 GPRESSURE: 3012600 -103.657 27.2309 7.61484 85.9681 438.235 -89.6635 -17.2637 44.433 -34.1296 PRESSAVG: 3012600 -62.6708 16.2881 -36.1034 16.2881 -0.353075 -13.2794 -36.1034 -13.2794 -9.97081 GPRESSAVG: 3012600 -63.9278 16.8916 -37.47 18.0424 1.11057 -12.1784 -39.0664 -12.5841 -9.67315 TIMING: 3012600 CPU: 9410.45, 0.00313371/step Wall: 9410.45, 0.00313371/step, 1.72998 hours remaining, 234.886719 MB of memory in use. ENERGY: 3012600 4065.8446 20415.8036 14439.4574 237.8593 -203613.7566 3005.1942 0.0000 0.0000 51808.9922 -109640.6053 297.7470 -161449.5975 -109273.4735 298.7314 65.3556 100.1493 762517.7672 -24.3316 -24.1635 PRESSURE: 3012800 -528.584 -116.816 32.8265 -116.816 255.027 -16.4979 32.8267 -16.4977 -241.942 GPRESSURE: 3012800 -406.906 -95.1052 -53.6082 -152.078 189.257 -23.5362 72.3794 114.352 -231.617 PRESSAVG: 3012800 -60.073 21.9101 -57.508 21.9102 58.7426 -41.3221 -57.508 -41.3221 -7.55327 GPRESSAVG: 3012800 -59.6463 21.4683 -56.1335 21.6018 58.1486 -42.2663 -55.9825 -39.8791 -7.57168 TIMING: 3012800 CPU: 9411.07, 0.00311726/step Wall: 9411.07, 0.00311726/step, 1.72073 hours remaining, 234.886719 MB of memory in use. ENERGY: 3012800 3995.6703 20499.0478 14530.6660 240.9194 -203717.8970 2726.8342 0.0000 0.0000 51938.6552 -109786.1041 298.4922 -161724.7593 -109425.6165 299.1414 -171.8330 -149.7555 761618.2321 -2.9612 -3.0231 PRESSURE: 3013000 62.3584 73.2227 72.384 73.2222 -21.116 118.573 72.3838 118.572 97.9855 GPRESSURE: 3013000 60.362 32.2926 39.0953 34.6519 22.2381 114.546 52.3285 -10.3911 132.287 PRESSAVG: 3013000 -86.9781 8.97115 18.9527 8.97107 48.2411 4.52119 18.9527 4.52115 -4.13523 GPRESSAVG: 3013000 -88.1788 7.50819 19.2186 9.28978 48.0268 2.79497 17.9272 3.53189 -3.28325 TIMING: 3013000 CPU: 9411.7, 0.00312279/step Wall: 9411.7, 0.00312279/step, 1.72361 hours remaining, 234.886719 MB of memory in use. ENERGY: 3013000 3983.5525 20427.3562 14404.9407 247.0917 -203515.4871 2799.1706 0.0000 0.0000 51834.6714 -109818.7039 297.8946 -161653.3754 -109458.9284 298.6769 46.4093 71.6291 761632.7571 -14.2907 -14.4784 PRESSURE: 3013200 268.856 -256.505 65.0037 -256.505 -125.496 40.5236 65.0032 40.5233 500.002 GPRESSURE: 3013200 351.036 -99.2903 122.484 -218.84 -89.1562 -48.0924 10.3902 233.82 452.89 PRESSAVG: 3013200 1.96544 66.558 -17.1612 66.5581 43.5292 -15.6648 -17.1611 -15.6648 -19.1491 GPRESSAVG: 3013200 3.47577 67.6515 -18.0552 65.2849 43.2415 -14.5432 -17.0572 -14.0271 -20.0211 TIMING: 3013200 CPU: 9412.32, 0.00313641/step Wall: 9412.32, 0.00313641/step, 1.73095 hours remaining, 234.886719 MB of memory in use. ENERGY: 3013200 3951.2428 20574.2124 14392.9207 250.8547 -203885.3038 2683.6486 0.0000 0.0000 51954.5991 -110077.8255 298.5838 -162032.4246 -109712.5433 298.3879 214.4537 238.2567 758818.8444 8.7819 8.8987 PRESSURE: 3013400 -574.763 -83.1682 -131.312 -83.1683 -178.651 -116.983 -131.312 -116.984 -312.109 GPRESSURE: 3013400 -571.347 -79.4643 -61.6578 -77.2148 -122.494 -62.1052 -150.358 -173.225 -267.536 PRESSAVG: 3013400 -70.0885 -36.8257 5.05955 -36.8257 60.1432 32.9968 5.05958 32.9969 28.0941 GPRESSAVG: 3013400 -69.7356 -37.0145 4.4289 -36.4359 60.3239 32.5483 7.64068 33.016 27.9533 TIMING: 3013400 CPU: 9412.95, 0.00313587/step Wall: 9412.95, 0.00313587/step, 1.73048 hours remaining, 234.886719 MB of memory in use. ENERGY: 3013400 3981.1279 20400.4163 14379.8507 237.9242 -203618.3898 2605.0720 0.0000 0.0000 51949.0056 -110064.9931 298.5516 -162013.9987 -109695.6081 298.2219 -355.1741 -320.4589 760978.0619 6.0496 6.1806 PRESSURE: 3013600 202.271 -97.8008 -79.6187 -97.8006 -100.55 44.0887 -79.6186 44.0889 -104.584 GPRESSURE: 3013600 239.544 -59.2193 -71.378 -44.5962 -137.113 29.5876 -177.46 -6.55964 0.844558 PRESSAVG: 3013600 -41.1738 -39.4675 -44.1575 -39.4675 22.1079 -47.8024 -44.1575 -47.8025 14.3464 GPRESSAVG: 3013600 -41.12 -39.7127 -43.5451 -39.4314 21.9042 -46.0582 -46.0176 -47.7227 14.6311 TIMING: 3013600 CPU: 9413.58, 0.00313805/step Wall: 9413.58, 0.00313805/step, 1.73151 hours remaining, 234.886719 MB of memory in use. ENERGY: 3013600 3899.3299 20542.1271 14341.1099 252.9391 -203528.0685 2673.7848 0.0000 0.0000 51709.5656 -110109.2122 297.1756 -161818.7778 -109755.0617 297.7879 -0.9544 34.4251 762635.3086 -1.5732 -1.5283 PRESSURE: 3013800 -160.075 227.026 156.861 227.026 259.048 -102.945 156.861 -102.945 119.096 GPRESSURE: 3013800 -140.693 187.908 110.92 257.407 271.792 -259.906 129.616 -35.6115 166.714 PRESSAVG: 3013800 -37.6907 -12.9949 -66.1146 -12.9948 50.6471 42.2707 -66.1146 42.2707 17.2008 GPRESSAVG: 3013800 -38.0082 -12.5106 -67.7304 -14.9091 51.4971 39.0865 -67.243 39.7207 17.4365 TIMING: 3013800 CPU: 9414.21, 0.0031301/step Wall: 9414.21, 0.0031301/step, 1.72695 hours remaining, 234.886719 MB of memory in use. ENERGY: 3013800 3904.1153 20637.3982 14347.3595 237.6555 -203523.5240 2592.2947 0.0000 0.0000 51867.1112 -109937.5896 298.0810 -161804.7008 -109569.9212 298.1515 72.6898 99.2708 760763.7856 10.0524 10.3085 PRESSURE: 3014000 -18.4665 20.207 -127.105 20.2069 114.926 -75.2712 -127.105 -75.2713 -162.131 GPRESSURE: 3014000 -130.13 -70.0105 -131.412 21.226 275.269 -99.1985 -225.632 69.8494 -116.843 PRESSAVG: 3014000 -51.9726 2.91184 -14.1565 2.91186 17.2877 -9.89424 -14.1566 -9.89425 3.71575 GPRESSAVG: 3014000 -53.2382 2.3534 -11.06 5.20173 17.8317 -7.04504 -15.0794 -10.628 4.25784 TIMING: 3014000 CPU: 9414.83, 0.00313211/step Wall: 9414.83, 0.00313211/step, 1.72788 hours remaining, 234.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3014000 3805.1269 20453.2508 14417.1131 250.4850 -202979.9967 2240.3710 0.0000 0.0000 51920.3521 -109893.2979 298.3870 -161813.6500 -109534.3292 297.9444 -21.8903 9.4322 762050.6183 -10.3230 -10.3829 PRESSURE: 3014200 -85.0556 204.363 49.9739 204.362 156.515 7.49368 49.9737 7.49482 -150.235 GPRESSURE: 3014200 -77.8369 228.458 65.5198 193.284 221.885 -31.9265 -33.1927 24.5395 -119.19 PRESSAVG: 3014200 -73.1426 -0.721839 -35.5568 -0.721811 79.8556 20.6336 -35.5568 20.6336 -5.74474 GPRESSAVG: 3014200 -71.624 -1.38566 -37.6511 -0.237815 79.5831 20.6218 -33.6655 19.5637 -6.77543 TIMING: 3014200 CPU: 9415.46, 0.00313947/step Wall: 9415.46, 0.00313947/step, 1.73177 hours remaining, 234.886719 MB of memory in use. ENERGY: 3014200 3953.3994 20447.2096 14497.6566 244.5879 -203565.9074 2644.3288 0.0000 0.0000 51835.7522 -109942.9729 297.9008 -161778.7251 -109581.0998 298.0639 -26.2584 8.2860 760674.1822 0.3227 0.3945 PRESSURE: 3014400 -185.735 3.58619 -83.9854 3.58627 -10.9165 15.2803 -83.9847 15.281 -323.259 GPRESSURE: 3014400 -174.207 -99.7625 -61.1552 -19.1073 64.7223 20.9388 -48.3841 35.3239 -329.707 PRESSAVG: 3014400 -37.3454 56.0276 -42.6122 56.0276 -21.3219 15.395 -42.6123 15.3949 21.8512 GPRESSAVG: 3014400 -36.9169 56.1205 -41.5613 55.4094 -21.7252 14.5459 -41.9166 17.0141 21.8807 TIMING: 3014400 CPU: 9416.09, 0.00313711/step Wall: 9416.09, 0.00313711/step, 1.73029 hours remaining, 234.886719 MB of memory in use. ENERGY: 3014400 3967.6905 20472.8817 14467.2052 239.2725 -203228.9433 2482.5057 0.0000 0.0000 51711.9442 -109887.4436 297.1893 -161599.3878 -109532.4292 297.2930 -173.3035 -146.3972 761442.0518 -12.2720 -12.2538 PRESSURE: 3014600 243.803 70.762 87.761 70.7623 -107.589 -15.826 87.7606 -15.8261 76.2488 GPRESSURE: 3014600 387.958 108.394 -20.8096 -79.4554 -132.553 6.8719 55.1251 41.7093 18.2534 PRESSAVG: 3014600 20.5216 -53.4254 -47.1506 -53.4254 4.52014 16.4909 -47.1505 16.4909 2.14261 GPRESSAVG: 3014600 19.7424 -53.3165 -46.9607 -54.8656 4.6619 16.4189 -48.5332 16.413 3.09846 TIMING: 3014600 CPU: 9416.71, 0.00311673/step Wall: 9416.71, 0.00311673/step, 1.71888 hours remaining, 234.886719 MB of memory in use. ENERGY: 3014600 3921.5687 20471.1672 14420.7796 241.7392 -203517.7210 2735.6168 0.0000 0.0000 51859.5299 -109867.3196 298.0374 -161726.8495 -109500.8224 298.1789 70.8210 91.2196 760124.1792 9.0614 9.1676 PRESSURE: 3014800 35.3197 -132.182 -71.914 -132.182 0.408106 -34.4157 -71.9144 -34.4164 -89.8106 GPRESSURE: 3014800 -22.3291 -202.477 -63.6693 -95.2563 72.7641 23.0694 -22.243 -140.478 -9.78742 PRESSAVG: 3014800 8.02583 -6.62289 -42.0315 -6.62295 18.5953 21.4682 -42.0315 21.4682 -14.162 GPRESSAVG: 3014800 8.1262 -7.65775 -41.1661 -7.09307 18.3984 21.9155 -42.1193 22.0164 -14.2527 TIMING: 3014800 CPU: 9417.34, 0.00313563/step Wall: 9417.34, 0.00313563/step, 1.72912 hours remaining, 234.886719 MB of memory in use. ENERGY: 3014800 4002.7853 20537.1498 14375.3175 242.4244 -204065.6190 2889.2948 0.0000 0.0000 51951.5603 -110067.0868 298.5663 -162018.6471 -109709.2269 297.9323 -18.0276 13.5492 761119.4859 4.1531 4.0907 PRESSURE: 3015000 264.193 84.0705 112.763 84.0719 -61.2903 10.6695 112.763 10.6695 -374.112 GPRESSURE: 3015000 275.021 141.712 197.929 7.19992 -44.2531 20.5704 -23.2972 9.40914 -285.196 PRESSAVG: 3015000 4.94842 24.0925 12.1784 24.0925 8.57728 19.9352 12.1784 19.9352 11.7273 GPRESSAVG: 3015000 4.22883 25.1575 11.3224 24.6529 9.73194 18.423 11.0015 19.1885 10.7205 TIMING: 3015000 CPU: 9417.97, 0.00315638/step Wall: 9417.97, 0.00315638/step, 1.74039 hours remaining, 234.886719 MB of memory in use. ENERGY: 3015000 3925.2465 20648.9449 14427.8313 232.7391 -203507.7672 2547.3380 0.0000 0.0000 51752.3439 -109973.3235 297.4214 -161725.6674 -109623.9021 298.2311 -57.0697 -18.1427 761474.3317 8.4177 8.2271 PRESSURE: 3015200 -134.089 127.338 -219.983 127.337 -72.9684 160.687 -219.983 160.687 -204.513 GPRESSURE: 3015200 -130.781 101.028 -228.206 49.5795 -60.6772 85.8655 -54.7447 101.345 -123.789 PRESSAVG: 3015200 12.0005 -0.199279 44.833 -0.199208 23.8784 49.7854 44.833 49.7855 18.9676 GPRESSAVG: 3015200 12.8553 0.693869 45.5826 0.0466028 22.5031 50.0058 47.3617 52.3932 19.7433 TIMING: 3015200 CPU: 9418.6, 0.00313758/step Wall: 9418.6, 0.00313758/step, 1.72985 hours remaining, 234.886719 MB of memory in use. ENERGY: 3015200 3994.0783 20405.5636 14461.8743 248.8470 -203954.9245 2815.0912 0.0000 0.0000 52052.1897 -109977.2805 299.1446 -162029.4702 -109603.0211 298.4610 -137.1903 -105.0827 760767.5644 18.2822 18.3672 PRESSURE: 3015400 -204.201 -86.4629 -114.216 -86.4621 181.443 26.8284 -114.216 26.8277 -124.798 GPRESSURE: 3015400 -251.475 -69.816 -97.8174 -126.648 309.434 -100.613 -14.8382 30.8257 -128.233 PRESSAVG: 3015400 -23.6592 47.8449 -9.414 47.8449 61.1844 15.7941 -9.41399 15.794 -17.8739 GPRESSAVG: 3015400 -24.1537 45.8211 -11.7666 46.7687 62.0497 16.1118 -10.324 14.752 -18.9349 TIMING: 3015400 CPU: 9419.23, 0.0031583/step Wall: 9419.23, 0.0031583/step, 1.7411 hours remaining, 234.886719 MB of memory in use. ENERGY: 3015400 4023.1491 20413.4486 14444.6833 246.9160 -203771.8253 2495.8284 0.0000 0.0000 52068.6950 -110079.1049 299.2395 -162147.7999 -109719.8284 298.0121 -49.1853 -23.4248 759691.0746 6.5504 6.3204 PRESSURE: 3015600 -136.452 -16.0682 -170.223 -16.069 195.897 11.9824 -170.223 11.9822 23.6996 GPRESSURE: 3015600 -51.7767 -45.9892 -125.209 27.7162 134.316 -48.9279 -84.2607 43.3389 70.1624 PRESSAVG: 3015600 -11.4906 86.1892 -60.6528 86.1892 11.3255 -10.0873 -60.6528 -10.0873 -1.51655 GPRESSAVG: 3015600 -13.2253 87.6492 -60.2588 87.6017 11.4061 -9.52705 -60.2135 -7.97986 -0.493694 TIMING: 3015600 CPU: 9419.86, 0.00315621/step Wall: 9419.86, 0.00315621/step, 1.73977 hours remaining, 234.886719 MB of memory in use. ENERGY: 3015600 4032.5325 20532.3275 14454.2467 250.4315 -203764.6214 2554.7753 0.0000 0.0000 51715.9943 -110224.3135 297.2125 -161940.3079 -109861.7723 297.7120 27.7149 50.9004 760203.4672 -0.5606 -0.7710 PRESSURE: 3015800 -74.3013 53.4383 236.589 53.4387 -122.557 158.695 236.588 158.696 -52.5451 GPRESSURE: 3015800 36.2623 10.0959 280.01 -84.5689 -136.036 169.423 297.314 -1.54322 -70.4697 PRESSAVG: 3015800 19.3674 14.8858 47.3907 14.8858 14.8157 22.7022 47.3906 22.7022 2.02001 GPRESSAVG: 3015800 20.8517 13.4848 48.3696 15.6928 13.157 20.7076 47.1234 22.7778 1.84335 TIMING: 3015800 CPU: 9420.49, 0.00313388/step Wall: 9420.49, 0.00313388/step, 1.72729 hours remaining, 234.886719 MB of memory in use. ENERGY: 3015800 3979.2039 20481.6223 14424.0626 238.4229 -203872.4001 2814.0811 0.0000 0.0000 51644.2504 -110290.7568 296.8002 -161935.0073 -109934.6411 297.4671 -83.1344 -56.7479 760708.8060 12.0677 11.9507 PRESSURE: 3016000 16.3742 129.94 43.9721 129.94 169.008 46.7337 43.972 46.7344 71.8307 GPRESSURE: 3016000 44.3578 126.171 34.454 199.952 238.694 84.1288 14.9257 56.516 60.0683 PRESSAVG: 3016000 49.6763 -30.8335 -51.925 -30.8335 -23.7418 29.9035 -51.925 29.9035 16.9923 GPRESSAVG: 3016000 48.6671 -31.3595 -51.6435 -32.9824 -21.8841 32.521 -52.0474 27.208 16.798 TIMING: 3016000 CPU: 9421.11, 0.00314003/step Wall: 9421.11, 0.00314003/step, 1.7305 hours remaining, 234.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3016000 3988.9620 20536.3026 14403.0237 249.8762 -204323.3311 3051.1261 0.0000 0.0000 51960.5065 -110133.5339 298.6177 -162094.0404 -109764.8550 297.4922 85.7378 114.3733 761114.7103 14.3089 14.5270 PRESSURE: 3016200 -138.503 86.6278 -88.7156 86.6272 -108.394 72.0326 -88.7157 72.0338 -178.235 GPRESSURE: 3016200 -112.45 51.7134 -176.685 140.046 -54.6004 59.886 -148.369 -40.0295 -184.675 PRESSAVG: 3016200 6.38365 12.5272 -22.2831 12.5272 46.8539 13.9999 -22.2831 13.9998 17.3892 GPRESSAVG: 3016200 7.34095 13.2066 -23.8002 13.8192 46.425 13.0958 -22.6074 16.8352 16.7041 TIMING: 3016200 CPU: 9421.74, 0.0031326/step Wall: 9421.74, 0.0031326/step, 1.72624 hours remaining, 234.886719 MB of memory in use. ENERGY: 3016200 3999.2690 20719.3012 14428.3091 224.6186 -204058.8075 2900.5766 0.0000 0.0000 51823.8676 -109962.8654 297.8325 -161786.7330 -109605.6080 298.0686 -141.7107 -117.2417 761788.4483 23.5423 23.4900 LDB: ============= START OF LOAD BALANCING ============== 9434.22 LDB: ============== END OF LOAD BALANCING =============== 9434.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9434.22 LDB: ============= START OF LOAD BALANCING ============== 9434.54 LDB: Largest compute 7007 load 0.028630 is 14.7% of average load 0.195094 LDB: Average compute 0.004362 is 2.2% of average load 0.195094 LDB: TIME 9434.54 LOAD: AVG 0.195094 MAX 0.216227 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.336 MB LDB: TIME 9434.54 LOAD: AVG 0.195094 MAX 0.216227 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.34 MB LDB: TIME 9434.54 LOAD: AVG 0.195094 MAX 0.216227 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.34 MB LDB: ============== END OF LOAD BALANCING =============== 9434.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9434.55 PRESSURE: 3016400 103.405 -298.788 -98.8185 -298.788 84.8403 -173.605 -98.8192 -173.605 -1.49172 GPRESSURE: 3016400 73.0782 -233.996 -172.538 -218.484 124.241 -92.6362 84.3404 -21.4202 97.5606 PRESSAVG: 3016400 -67.9528 60.9087 7.47722 60.9087 51.5183 3.86151 7.47718 3.86158 -9.81055 GPRESSAVG: 3016400 -67.7203 61.2699 9.65918 60.9568 50.7102 1.8447 7.11856 1.56698 -9.21749 TIMING: 3016400 CPU: 9422.38, 0.00320611/step Wall: 9422.38, 0.00320611/step, 1.76657 hours remaining, 234.820312 MB of memory in use. ENERGY: 3016400 4024.2430 20477.2608 14433.0182 231.1210 -203694.4002 2731.4747 0.0000 0.0000 51727.8585 -110069.4239 297.2807 -161797.2825 -109710.9162 298.0304 62.2511 98.2934 761602.9498 -8.7483 -8.7425 PRESSURE: 3016600 -64.0434 -130.777 147.489 -130.777 -16.0854 -65.868 147.489 -65.8692 161.234 GPRESSURE: 3016600 32.4299 -132.078 202.613 -151.856 -16.8516 -102.802 148.562 -52.8164 153.691 PRESSAVG: 3016600 -50.3012 -8.71792 28.3173 -8.71789 58.5343 -2.62856 28.3173 -2.62861 19.2659 GPRESSAVG: 3016600 -51.2944 -10.3873 28.2685 -8.01898 60.0668 -1.3257 28.0266 -0.625415 18.9074 TIMING: 3016600 CPU: 9423.01, 0.00314282/step Wall: 9423.01, 0.00314282/step, 1.73152 hours remaining, 235.023438 MB of memory in use. ENERGY: 3016600 4009.3319 20468.4031 14405.7777 235.9634 -203915.2879 2652.8152 0.0000 0.0000 52066.1860 -110076.8107 299.2251 -162142.9967 -109710.7700 297.9322 27.0350 56.4231 761384.4114 9.1663 9.2266 PRESSURE: 3016800 -265.683 69.2332 41.7408 69.232 -157.598 198.143 41.741 198.143 58.238 GPRESSURE: 3016800 -128.829 22.892 37.5507 124.135 -181.835 157.774 -139.826 108.996 39.9576 PRESSAVG: 3016800 -13.8055 -17.402 -10.7248 -17.402 14.1605 13.7051 -10.7249 13.7052 -58.6502 GPRESSAVG: 3016800 -12.9458 -15.9984 -9.63669 -18.0517 12.6904 14.4955 -11.869 11.2451 -58.2852 TIMING: 3016800 CPU: 9423.64, 0.00314488/step Wall: 9423.64, 0.00314488/step, 1.73248 hours remaining, 235.078125 MB of memory in use. ENERGY: 3016800 3991.7365 20548.4721 14366.0798 240.0725 -203789.1104 2920.0633 0.0000 0.0000 51656.6527 -110066.0335 296.8715 -161722.6862 -109719.4407 297.9594 -121.6812 -90.2357 760333.8784 -19.4317 -19.5136 PRESSURE: 3017000 -18.0304 -90.967 89.8263 -90.9671 -84.4259 35.3193 89.8262 35.3202 -39.898 GPRESSURE: 3017000 -72.6287 -79.3743 20.1671 -66.6387 15.9822 -9.5553 -52.1135 195.127 24.7122 PRESSAVG: 3017000 -43.8577 5.9441 -14.9338 5.94401 15.4486 22.1932 -14.9338 22.1933 -8.705 GPRESSAVG: 3017000 -43.788 5.01551 -16.0903 5.34702 15.6538 22.8238 -13.658 22.0062 -9.1391 TIMING: 3017000 CPU: 9424.27, 0.00314411/step Wall: 9424.27, 0.00314411/step, 1.73188 hours remaining, 235.078125 MB of memory in use. ENERGY: 3017000 4042.6187 20459.0035 14398.0417 249.9371 -203647.5826 2856.8659 0.0000 0.0000 51721.8795 -109919.2363 297.2464 -161641.1158 -109568.2342 298.3274 -47.4515 -10.6448 762090.1798 -12.3714 -12.4244 PRESSURE: 3017200 -53.9233 -56.6163 -121.775 -56.6157 113.239 -125.601 -121.774 -125.601 134.805 GPRESSURE: 3017200 44.2325 -123.216 -171.39 -27.2973 117.447 -67.3251 -92.7005 -56.3095 121.591 PRESSAVG: 3017200 -32.0571 14.1272 2.66658 14.1272 48.1063 -1.29272 2.66657 -1.29282 -22.1508 GPRESSAVG: 3017200 -31.4046 15.1466 2.04874 13.7567 47.4857 -1.09971 2.17666 0.750001 -21.9031 TIMING: 3017200 CPU: 9424.9, 0.00316653/step Wall: 9424.9, 0.00316653/step, 1.74405 hours remaining, 235.078125 MB of memory in use. ENERGY: 3017200 4036.4091 20316.8743 14406.8139 247.4981 -203909.7293 2888.9938 0.0000 0.0000 52046.0965 -109967.0437 299.1096 -162013.1401 -109601.5041 298.1710 64.7069 94.4236 760501.7671 -2.0339 -1.9407 PRESSURE: 3017400 7.79224 -65.0018 -27.3889 -65.0014 -250.87 75.6169 -27.3893 75.6176 -237.521 GPRESSURE: 3017400 69.171 23.7754 19.2907 6.40268 -248.68 26.9421 -34.9951 107.512 -190.078 PRESSAVG: 3017400 -17.3715 15.0433 11.4705 15.0434 -3.64697 -16.871 11.4705 -16.8711 -12.9305 GPRESSAVG: 3017400 -18.4107 16.7911 13.1209 14.2673 -2.18317 -18.6627 13.1133 -15.7843 -13.0031 TIMING: 3017400 CPU: 9425.53, 0.00314303/step Wall: 9425.53, 0.00314303/step, 1.73094 hours remaining, 235.078125 MB of memory in use. ENERGY: 3017400 4050.8795 20536.7421 14469.3892 249.0551 -203407.7875 2759.7256 0.0000 0.0000 51846.8917 -109495.1044 297.9648 -161341.9960 -109131.8765 297.9352 -160.1996 -123.1954 762881.3773 -11.3163 -11.1990 PRESSURE: 3017600 14.7118 36.2742 -115.588 36.2748 135.848 18.8108 -115.588 18.8116 184.79 GPRESSURE: 3017600 118.603 9.29329 -148.799 -13.8316 96.8625 -53.576 -12.6192 -44.2751 193.271 PRESSAVG: 3017600 43.5661 43.1892 41.0981 43.1891 -2.5211 77.1822 41.0981 77.1821 -2.39458 GPRESSAVG: 3017600 43.1836 42.8965 39.3585 44.3963 -2.47676 77.4058 41.5154 74.5044 -2.14222 TIMING: 3017600 CPU: 9426.16, 0.00314669/step Wall: 9426.16, 0.00314668/step, 1.73277 hours remaining, 235.078125 MB of memory in use. ENERGY: 3017600 3963.5208 20583.1785 14476.0480 246.0131 -203318.7595 2620.1637 0.0000 0.0000 52133.3444 -109296.4910 299.6110 -161429.8354 -108930.9263 299.1371 111.7832 136.2455 762015.5539 12.8835 12.8549 PRESSURE: 3017800 -156.496 -162.338 71.5238 -162.339 -159.661 198.864 71.5238 198.863 -212.48 GPRESSURE: 3017800 -111.954 -100.203 98.7277 -67.6843 -148.828 227.348 28.0454 235.983 -185.015 PRESSAVG: 3017800 26.078 11.9091 -14.8007 11.9091 18.4725 44.229 -14.8008 44.229 -12.0434 GPRESSAVG: 3017800 25.4902 10.6535 -14.9681 12.7929 18.0292 46.1516 -15.4518 45.5053 -11.1599 TIMING: 3017800 CPU: 9426.79, 0.00313457/step Wall: 9426.79, 0.00313457/step, 1.72593 hours remaining, 235.078125 MB of memory in use. ENERGY: 3017800 4034.9986 20590.4748 14400.9246 247.1499 -203511.2212 2734.9409 0.0000 0.0000 52069.2487 -109433.4837 299.2427 -161502.7324 -109073.3712 298.4637 -176.2120 -148.5989 763486.1880 10.8357 10.7865 PRESSURE: 3018000 -184.65 -79.3898 -268.423 -79.3908 -185.593 202.02 -268.423 202.019 356.423 GPRESSURE: 3018000 -121.786 -19.9585 -187.798 -34.6415 -113.578 158.547 -200.521 199.696 310.806 PRESSAVG: 3018000 -13.7733 -18.3225 3.48312 -18.3225 25.1887 4.31978 3.48315 4.31991 13.9965 GPRESSAVG: 3018000 -14.2354 -16.8062 2.85889 -19.5071 26.121 2.4681 2.08428 3.31067 13.9861 TIMING: 3018000 CPU: 9427.41, 0.00313613/step Wall: 9427.41, 0.00313613/step, 1.72661 hours remaining, 235.078125 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: 3018000 3933.8973 20577.0778 14496.0793 230.1475 -203519.4876 2856.5585 0.0000 0.0000 52298.7471 -109126.9801 300.5616 -161425.7272 -108764.8190 299.3494 -4.6069 25.1475 762781.0590 8.4707 8.6239 PRESSURE: 3018200 49.9053 288.154 117.924 288.154 68.6713 -79.2181 117.925 -79.2187 -43.8195 GPRESSURE: 3018200 97.0242 229.041 168.586 145.529 137.199 -128.171 177.945 -148.239 -67.1388 PRESSAVG: 3018200 -19.2319 -10.1488 38.9627 -10.1488 52.6928 24.8446 38.9628 24.8447 4.84216 GPRESSAVG: 3018200 -17.3922 -11.6487 41.4123 -9.87385 51.6471 23.3156 41.5674 27.1012 4.52019 TIMING: 3018200 CPU: 9428.04, 0.00314061/step Wall: 9428.04, 0.00314061/step, 1.72891 hours remaining, 235.078125 MB of memory in use. ENERGY: 3018200 4070.0365 20535.8169 14430.5515 243.2216 -203601.3367 3033.8677 0.0000 0.0000 52201.9248 -109085.9176 300.0052 -161287.8424 -108718.1819 299.6783 24.9190 55.6950 761812.4773 12.7677 12.9251 PRESSURE: 3018400 -21.5463 -67.7244 72.1364 -67.7241 116.115 180.068 72.1359 180.068 53.3159 GPRESSURE: 3018400 -77.55 -72.7914 87.4196 -231.5 192.959 267.594 56.7397 88.2712 112.746 PRESSAVG: 3018400 16.3834 -6.18801 12.5238 -6.18801 -8.4623 -16.0941 12.5239 -16.094 26.2436 GPRESSAVG: 3018400 15.577 -7.64763 11.7463 -5.08938 -7.72802 -13.3333 10.2613 -18.6306 25.7187 TIMING: 3018400 CPU: 9428.66, 0.00311374/step Wall: 9428.66, 0.00311374/step, 1.71394 hours remaining, 235.078125 MB of memory in use. ENERGY: 3018400 3957.8753 20732.6585 14434.1040 239.5271 -203608.8382 2618.4932 0.0000 0.0000 52161.7718 -109464.4084 299.7744 -161626.1802 -109104.2983 299.2369 49.2947 76.0517 762420.8563 11.3882 11.1892 PRESSURE: 3018600 137.598 -56.2595 -112.008 -56.2594 -480.926 124.556 -112.008 124.556 -70.7402 GPRESSURE: 3018600 73.4369 -8.2569 -50.9103 36.8125 -352.818 133.673 -89.1716 19.3285 -34.2797 PRESSAVG: 3018600 31.1989 43.5692 51.8165 43.5691 18.4553 -3.63803 51.8164 -3.63809 -10.8995 GPRESSAVG: 3018600 31.5805 46.6346 51.3905 44.3608 17.9436 -4.29106 51.3215 -4.45913 -10.998 TIMING: 3018600 CPU: 9429.29, 0.00314078/step Wall: 9429.29, 0.00314078/step, 1.72865 hours remaining, 235.078125 MB of memory in use. ENERGY: 3018600 3935.8646 20511.8483 14516.4573 235.0434 -203143.6002 2404.4120 0.0000 0.0000 51982.5066 -109557.4680 298.7442 -161539.9746 -109193.9644 298.9407 -138.0226 -104.5534 762098.5610 12.9182 12.8420 PRESSURE: 3018800 -20.2824 -179.719 43.8179 -179.719 -72.7263 -4.19309 43.8177 -4.19443 -166.242 GPRESSURE: 3018800 64.1297 -94.1296 58.5169 -274.806 -115.065 21.5067 105.77 62.1795 -102.156 PRESSAVG: 3018800 44.5263 6.26249 85.3696 6.26245 -23.7728 24.7973 85.3696 24.7972 -7.54059 GPRESSAVG: 3018800 44.1942 4.42897 86.1431 5.10914 -24.1105 24.4012 85.4312 26.0634 -6.93614 TIMING: 3018800 CPU: 9429.92, 0.00311817/step Wall: 9429.92, 0.00311817/step, 1.71603 hours remaining, 235.078125 MB of memory in use. ENERGY: 3018800 4018.1012 20402.4984 14450.0180 259.3167 -203464.1122 2624.0518 0.0000 0.0000 52150.4209 -109559.7053 299.7092 -161710.1262 -109190.0509 299.3559 -86.4170 -51.0304 760928.9947 4.4043 4.3825 PRESSURE: 3019000 225.102 -206.79 218.893 -206.79 344.774 -47.0774 218.892 -47.077 124.625 GPRESSURE: 3019000 226.725 -210.79 93.7928 -232.024 451.427 -17.9 191.92 -119.643 84.7641 PRESSAVG: 3019000 3.49392 -49.616 39.6424 -49.6159 -17.7854 28.801 39.6423 28.801 -16.2695 GPRESSAVG: 3019000 3.20652 -50.1935 38.3619 -47.992 -16.7316 29.7066 41.9451 28.3091 -16.5069 TIMING: 3019000 CPU: 9430.54, 0.00312517/step Wall: 9430.54, 0.00312517/step, 1.71971 hours remaining, 235.078125 MB of memory in use. ENERGY: 3019000 4002.9596 20486.3879 14483.2793 237.4749 -203790.2082 2875.0754 0.0000 0.0000 52115.2355 -109589.7956 299.5070 -161705.0311 -109230.2961 299.0625 231.5004 254.3054 759611.3321 -10.1870 -10.0106 PRESSURE: 3019200 -4.17811 57.1995 -254.514 57.1996 30.2382 121.294 -254.514 121.294 134.031 GPRESSURE: 3019200 135.753 153.992 -168.23 -68.2316 -53.2816 70.5873 -155.951 90.6341 165.519 PRESSAVG: 3019200 -34.0458 -56.1272 43.339 -56.1273 21.6589 16.1816 43.339 16.1816 -19.2739 GPRESSAVG: 3019200 -33.9957 -54.8508 43.5383 -57.5749 21.3926 15.0205 43.3207 16.3693 -19.0301 TIMING: 3019200 CPU: 9431.17, 0.00313501/step Wall: 9431.17, 0.00313501/step, 1.72495 hours remaining, 235.078125 MB of memory in use. ENERGY: 3019200 3968.7956 20626.8649 14545.8868 260.0840 -203130.7168 2456.8985 0.0000 0.0000 51686.3153 -109585.8718 297.0420 -161272.1870 -109222.4820 299.0980 53.3636 82.6635 760384.2781 -10.5536 -10.5444 PRESSURE: 3019400 443.16 119.152 49.3566 119.153 123.154 33.8895 49.3564 33.8897 -201.23 GPRESSURE: 3019400 475.873 102.259 37.151 105.945 64.1939 113.897 -13.6833 -14.1376 -78.3516 PRESSAVG: 3019400 23.2016 -62.0074 48.6386 -62.0074 -48.1397 10.1827 48.6387 10.1827 -1.53921 GPRESSAVG: 3019400 24.1578 -63.6877 47.9021 -62.5454 -48.6756 11.2554 47.5536 10.7136 -1.22638 TIMING: 3019400 CPU: 9431.8, 0.00314064/step Wall: 9431.8, 0.00314064/step, 1.72788 hours remaining, 235.078125 MB of memory in use. ENERGY: 3019400 3973.7915 20480.7752 14505.9945 265.8712 -203774.8903 2838.7078 0.0000 0.0000 51915.1821 -109794.5679 298.3573 -161709.7500 -109447.8034 298.5027 121.6947 153.9050 760891.3906 -8.8258 -8.5814 PRESSURE: 3019600 -119.879 -207.696 230.603 -207.695 -228.097 -102.244 230.603 -102.244 -331.212 GPRESSURE: 3019600 -117.677 -92.2967 184.397 -169.516 -191.457 -108.109 176.628 -72.1203 -272.513 PRESSAVG: 3019600 -10.4733 5.28817 1.77438 5.28817 -17.7907 -48.317 1.77442 -48.3169 9.38998 GPRESSAVG: 3019600 -10.3054 6.82276 3.8625 5.19368 -17.6235 -48.8588 1.60757 -48.646 8.76823 TIMING: 3019600 CPU: 9432.42, 0.00313025/step Wall: 9432.42, 0.00313025/step, 1.72199 hours remaining, 235.078125 MB of memory in use. ENERGY: 3019600 3983.7031 20385.9995 14549.4247 237.1463 -203250.9414 2125.5370 0.0000 0.0000 51965.1037 -110004.0271 298.6442 -161969.1308 -109643.7018 298.3772 -226.3962 -193.8821 759659.8799 -6.2913 -6.3869 PRESSURE: 3019800 31.7116 287.721 -1.0848 287.721 113.453 -224.632 -1.08502 -224.631 -346.277 GPRESSURE: 3019800 56.9228 245.206 57.2211 169.44 153.072 -289.774 -13.3381 -206.372 -326.961 PRESSAVG: 3019800 28.0672 22.4392 -20.4875 22.4392 -28.8263 -27.3608 -20.4875 -27.3608 9.10435 GPRESSAVG: 3019800 27.6228 21.1771 -21.4975 22.3801 -28.7354 -27.4897 -20.8584 -27.1734 9.23931 TIMING: 3019800 CPU: 9433.05, 0.00313687/step Wall: 9433.05, 0.00313687/step, 1.72545 hours remaining, 235.078125 MB of memory in use. ENERGY: 3019800 4011.0820 20371.6288 14466.1767 228.0155 -203361.7729 2578.7016 0.0000 0.0000 51712.6588 -109993.5096 297.1934 -161706.1684 -109640.3895 298.1252 -67.0377 -38.9888 759526.0798 2.7817 2.7089 PRESSURE: 3020000 44.7743 94.3155 -109.007 94.3144 289.928 -16.5101 -109.008 -16.5102 -261.27 GPRESSURE: 3020000 4.93469 39.6212 -180.145 118.317 417.977 71.9026 -29.8414 -43.8748 -261.28 PRESSAVG: 3020000 -16.035 -37.0238 -4.39798 -37.0238 4.05968 11.8213 -4.39801 11.8214 -12.3097 GPRESSAVG: 3020000 -16.7359 -35.0576 -6.94302 -35.7599 3.9106 12.7406 -1.58173 13.4182 -11.6045 TIMING: 3020000 CPU: 9433.68, 0.00314944/step Wall: 9433.68, 0.00314944/step, 1.73219 hours remaining, 235.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3020000 3948.2473 20399.2242 14425.1460 235.9425 -203302.4984 2432.9923 0.0000 0.0000 51935.9971 -109924.9490 298.4769 -161860.9461 -109566.3636 297.9664 24.4775 53.8770 761672.7552 -8.0950 -8.1433 PRESSURE: 3020200 -183.424 -22.4571 -34.5621 -22.4584 19.6347 127.234 -34.5617 127.234 -271.968 GPRESSURE: 3020200 -90.3379 -58.0004 1.00327 11.4446 0.115728 31.4311 -58.1175 19.0104 -261.569 PRESSAVG: 3020200 22.1106 -12.3844 -7.59201 -12.3843 -18.3328 4.40089 -7.59207 4.40099 -5.78737 GPRESSAVG: 3020200 22.6812 -11.9536 -4.91459 -12.8689 -18.9373 2.22003 -9.37951 4.13508 -5.88201 TIMING: 3020200 CPU: 9434.31, 0.00314128/step Wall: 9434.31, 0.00314128/step, 1.72753 hours remaining, 235.281250 MB of memory in use. ENERGY: 3020200 4070.2441 20320.7445 14456.3057 250.2685 -203520.1303 2547.7007 0.0000 0.0000 51918.9075 -109955.9593 298.3787 -161874.8668 -109597.9414 297.7395 -145.2525 -117.2639 760239.3399 -0.6698 -0.7127 LDB: ============= START OF LOAD BALANCING ============== 9446.79 LDB: ============== END OF LOAD BALANCING =============== 9446.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9446.79 LDB: ============= START OF LOAD BALANCING ============== 9447.11 LDB: Largest compute 7072 load 0.028251 is 14.5% of average load 0.195073 LDB: Average compute 0.004378 is 2.2% of average load 0.195073 LDB: TIME 9447.11 LOAD: AVG 0.195073 MAX 0.214504 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.379 MB LDB: TIME 9447.11 LOAD: AVG 0.195073 MAX 0.214504 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.379 MB LDB: TIME 9447.11 LOAD: AVG 0.195073 MAX 0.214504 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.379 MB LDB: ============== END OF LOAD BALANCING =============== 9447.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9447.12 PRESSURE: 3020400 110.808 -47.5789 37.0511 -47.5786 -364.489 198.607 37.051 198.609 419.682 GPRESSURE: 3020400 151.255 -81.6553 -14.0803 37.7225 -250.237 319.914 -38.0641 169.314 376.529 PRESSAVG: 3020400 -6.24243 -16.9189 -8.32701 -16.9188 32.2584 -56.2925 -8.32691 -56.2926 -20.7578 GPRESSAVG: 3020400 -5.9138 -17.8205 -9.25318 -16.842 33.711 -57.1732 -7.33627 -55.6647 -22.2144 TIMING: 3020400 CPU: 9434.95, 0.00321619/step Wall: 9434.95, 0.00321619/step, 1.76855 hours remaining, 234.253906 MB of memory in use. ENERGY: 3020400 3960.7906 20315.0612 14399.3027 245.8682 -203785.2260 2748.9413 0.0000 0.0000 51822.9926 -110292.2694 297.8275 -162115.2620 -109939.8243 297.6698 55.3338 92.5158 761299.3811 1.7527 1.8609 PRESSURE: 3020600 -240.764 90.4422 20.6054 90.4411 -242.422 -5.27394 20.6057 -5.27522 16.0116 GPRESSURE: 3020600 -183.55 154.092 15.3006 31.0952 -216.046 -47.111 131.888 -10.1278 6.99388 PRESSAVG: 3020600 0.851775 14.3749 22.6225 14.375 2.14722 4.84426 22.6225 4.84424 7.86331 GPRESSAVG: 3020600 0.881177 16.2047 23.1433 12.4494 -0.330474 5.55909 22.1199 3.98656 10 TIMING: 3020600 CPU: 9435.58, 0.00313721/step Wall: 9435.58, 0.00313721/step, 1.72494 hours remaining, 234.457031 MB of memory in use. ENERGY: 3020600 4025.6065 20487.7388 14435.7205 243.8642 -203686.7612 2697.1720 0.0000 0.0000 51773.1356 -110023.5235 297.5409 -161796.6591 -109671.5166 297.8252 -155.7248 -130.8671 761796.1746 3.6208 3.5169 PRESSURE: 3020800 21.7022 16.2874 -145.23 16.2878 -261.381 -90.9184 -145.23 -90.9181 39.7021 GPRESSURE: 3020800 27.3809 -54.4888 -80.0907 -49.8944 -155.619 -112.49 -203.652 -157.633 26.2662 PRESSAVG: 3020800 -12.7846 32.8123 -17.0663 32.8123 -39.7142 -20.2897 -17.0664 -20.2896 11.3408 GPRESSAVG: 3020800 -12.4409 30.5186 -17.0808 36.5555 -38.4049 -19.6009 -18.2639 -22.1701 9.54213 TIMING: 3020800 CPU: 9436.21, 0.00314599/step Wall: 9436.21, 0.00314599/step, 1.7296 hours remaining, 234.457031 MB of memory in use. ENERGY: 3020800 3886.1744 20372.7196 14396.3256 239.5214 -203501.3578 2592.2121 0.0000 0.0000 52091.2898 -109923.1149 299.3694 -162014.4046 -109562.2518 298.1255 -66.6588 -33.9908 761561.7296 -13.7194 -13.7679 PRESSURE: 3021000 -71.1203 -16.0817 -188.443 -16.0821 126.917 -48.6021 -188.444 -48.601 -184.739 GPRESSURE: 3021000 -46.8293 -12.1664 -255.015 -27.1578 118.336 -4.86688 -129.166 75.3385 -90.167 PRESSAVG: 3021000 -10.5113 1.11112 -34.6113 1.11108 52.7187 -6.88228 -34.6113 -6.88234 -14.5693 GPRESSAVG: 3021000 -11.2432 2.0321 -35.0522 -1.63959 53.3027 -5.58504 -35.1761 -5.09939 -14.3949 TIMING: 3021000 CPU: 9436.84, 0.00313666/step Wall: 9436.84, 0.00313666/step, 1.72429 hours remaining, 234.457031 MB of memory in use. ENERGY: 3021000 3943.3931 20465.8168 14461.5320 261.7462 -203429.1597 2574.1260 0.0000 0.0000 51930.2684 -109792.2772 298.4440 -161722.5456 -109424.8916 298.2555 -42.9806 -6.2200 762254.0421 9.2127 9.2215 PRESSURE: 3021200 -79.5755 -33.5822 144.33 -33.5823 -174.348 126.851 144.331 126.851 -27.1292 GPRESSURE: 3021200 -18.0315 17.8663 184.438 -88.1176 -139.051 109.249 279.071 204.901 -47.8314 PRESSAVG: 3021200 17.726 15.1935 -10.8139 15.1935 -0.457142 -20.1969 -10.8139 -20.1969 29.644 GPRESSAVG: 3021200 17.3018 15.9762 -10.2268 17.2592 -0.354139 -20.3973 -7.96219 -19.5537 29.7683 TIMING: 3021200 CPU: 9437.46, 0.00312868/step Wall: 9437.46, 0.00312868/step, 1.71973 hours remaining, 234.457031 MB of memory in use. ENERGY: 3021200 4032.0045 20381.4680 14372.4526 224.3111 -203605.5855 2438.1346 0.0000 0.0000 52328.1028 -109829.1118 300.7303 -162157.2146 -109462.4518 299.1380 -93.6841 -68.3045 760273.7962 15.6376 15.5720 PRESSURE: 3021400 -28.7314 61.8075 -46.4376 61.8065 -31.9614 -316.302 -46.4373 -316.303 309.039 GPRESSURE: 3021400 -1.10705 200.084 -82.7619 -39.9319 44.642 -324.282 -111.404 -200.197 285.951 PRESSAVG: 3021400 -30.3529 -32.9338 -48.9648 -32.9338 2.07072 -13.4809 -48.9647 -13.4809 2.91132 GPRESSAVG: 3021400 -29.7791 -32.6057 -50.1833 -36.6123 0.0576065 -13.2384 -52.6912 -13.2095 4.38035 TIMING: 3021400 CPU: 9438.09, 0.00314171/step Wall: 9438.09, 0.00314171/step, 1.72672 hours remaining, 234.457031 MB of memory in use. ENERGY: 3021400 4005.6816 20532.1412 14429.6343 272.9240 -203872.9956 2691.8677 0.0000 0.0000 52028.7694 -109911.9775 299.0101 -161940.7469 -109546.2453 298.6877 82.7822 109.8285 762536.3361 -8.4569 -8.4470 PRESSURE: 3021600 80.4516 3.07685 14.1988 3.0766 96.4891 42.7853 14.1988 42.7852 -223.026 GPRESSURE: 3021600 71.9445 116.379 26.6425 -43.5794 193.951 22.0079 -23.6304 62.4099 -251.387 PRESSAVG: 3021600 -8.47371 -29.5133 5.61911 -29.5133 6.89535 -19.3655 5.6191 -19.3655 -17.5149 GPRESSAVG: 3021600 -8.04903 -31.4141 5.76521 -28.0069 8.37098 -20.6891 7.68291 -19.9096 -19.119 TIMING: 3021600 CPU: 9438.71, 0.00312549/step Wall: 9438.71, 0.00312549/step, 1.71763 hours remaining, 234.457031 MB of memory in use. ENERGY: 3021600 3991.0164 20385.9712 14473.7951 243.8350 -203622.8059 2823.5586 0.0000 0.0000 51803.1212 -109901.5085 297.7132 -161704.6297 -109537.0930 298.2085 -15.3618 4.8364 762838.4454 -6.3644 -6.2657 PRESSURE: 3021800 -359.997 73.653 -31.7431 73.6538 173.22 -59.1293 -31.7423 -59.1281 -10.9059 GPRESSURE: 3021800 -247.299 92.615 -38.577 -62.8944 206.252 -77.9034 110.843 67.0208 -75.575 PRESSAVG: 3021800 -39.2319 -26.7484 35.7971 -26.7484 68.4048 -0.00501874 35.797 -0.00497995 1.41253 GPRESSAVG: 3021800 -38.6367 -26.8672 36.7002 -27.1992 67.0243 2.27367 36.4982 -0.129069 2.3716 TIMING: 3021800 CPU: 9439.34, 0.0031235/step Wall: 9439.34, 0.0031235/step, 1.71637 hours remaining, 234.457031 MB of memory in use. ENERGY: 3021800 3992.0029 20356.9426 14472.6899 265.6372 -202947.4632 2529.5908 0.0000 0.0000 51720.5598 -109610.0398 297.2388 -161330.5996 -109250.3809 298.4315 -65.8942 -38.8740 762795.9531 10.1952 10.2531 PRESSURE: 3022000 -309.219 -3.96059 85.3347 -3.96079 -15.4008 -34.7536 85.3356 -34.754 -149.971 GPRESSURE: 3022000 -263.982 -3.73043 82.8539 -34.8762 47.1447 -32.4077 74.8976 -15.9498 -172.258 PRESSAVG: 3022000 -33.3775 -19.2712 -14.6907 -19.2712 35.9818 -0.280554 -14.6907 -0.280606 1.41206 GPRESSAVG: 3022000 -33.857 -20.7914 -14.2355 -17.5664 37.8587 -0.741998 -16.7122 -1.15769 -0.237189 TIMING: 3022000 CPU: 9439.96, 0.00312216/step Wall: 9439.96, 0.00312216/step, 1.71545 hours remaining, 234.457031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3022000 4018.5156 20693.7815 14385.4507 239.7308 -203407.9349 2714.6882 0.0000 0.0000 51935.6468 -109420.1213 298.4749 -161355.7680 -109063.9373 298.7993 -158.1969 -129.6987 761087.1713 1.3388 1.2548 PRESSURE: 3022200 -181.474 -4.78793 -168.61 -4.7887 -288.045 -79.1245 -168.611 -79.1242 134.241 GPRESSURE: 3022200 -162.853 -121.92 -193.519 60.566 -247.396 -94.4673 -64.0756 -32.2385 165.041 PRESSAVG: 3022200 -13.4156 -58.9009 -22.5764 -58.901 -33.1847 -13.7654 -22.5763 -13.7655 3.42957 GPRESSAVG: 3022200 -13.4505 -59.0347 -24.8997 -58.1522 -34.5931 -14.318 -19.9621 -14.2026 4.8543 TIMING: 3022200 CPU: 9440.59, 0.00313404/step Wall: 9440.59, 0.00313404/step, 1.72181 hours remaining, 234.457031 MB of memory in use. ENERGY: 3022200 3989.6438 20567.5975 14450.6341 245.4831 -203399.1863 2479.9646 0.0000 0.0000 52214.1134 -109451.7498 300.0752 -161665.8633 -109090.8064 299.4612 -111.7595 -81.7359 762102.7940 -14.3902 -14.3964 PRESSURE: 3022400 161.819 -23.4736 53.57 -23.4742 151.876 -51.3427 53.5691 -51.3424 78.3327 GPRESSURE: 3022400 192.277 -24.9347 100.617 -77.1807 118.803 -102.687 12.6688 -91.0665 137.945 PRESSAVG: 3022400 -23.3923 -67.7026 -19.563 -67.7026 21.9911 -1.80103 -19.5631 -1.80096 -30.3335 GPRESSAVG: 3022400 -23.2814 -65.7332 -18.1665 -70.0881 21.4158 -1.3154 -20.7382 -0.89376 -30.6035 TIMING: 3022400 CPU: 9441.22, 0.00313339/step Wall: 9441.22, 0.00313339/step, 1.72127 hours remaining, 234.457031 MB of memory in use. ENERGY: 3022400 3922.2465 20715.9811 14377.6342 267.8083 -203233.2941 2709.2266 0.0000 0.0000 51810.2246 -109430.1729 297.7541 -161240.3975 -109076.2651 299.0668 130.6758 149.6749 761168.9854 -10.5783 -10.8230 PRESSURE: 3022600 322.516 -66.743 -294.402 -66.743 53.3919 -185.988 -294.402 -185.988 410.618 GPRESSURE: 3022600 392.335 -62.6282 -324.583 72.4185 83.8884 -196.151 -266.297 -72.6563 398.816 PRESSAVG: 3022600 -11.2295 -28.5947 -26.4846 -28.5947 21.5269 -14.6835 -26.4846 -14.6836 20.041 GPRESSAVG: 3022600 -11.2298 -28.2883 -25.7982 -26.5348 21.3865 -14.731 -25.7652 -13.9386 20.3112 TIMING: 3022600 CPU: 9441.84, 0.00313762/step Wall: 9441.84, 0.00313762/step, 1.72343 hours remaining, 234.457031 MB of memory in use. ENERGY: 3022600 3939.5778 20581.3727 14398.4133 244.1222 -203064.1269 2522.5075 0.0000 0.0000 51943.7671 -109434.3664 298.5215 -161378.1335 -109079.2513 299.3795 262.1753 291.6797 759599.1381 10.1128 10.1559 PRESSURE: 3022800 108.65 -72.5785 238.529 -72.5782 198.393 43.1644 238.527 43.1654 -28.5928 GPRESSURE: 3022800 98.4234 42.4672 229.438 -24.1752 255.608 104.975 188.009 12.045 19.0529 PRESSAVG: 3022800 34.5512 -33.2288 11.1207 -33.2288 -15.7948 28.0759 11.1207 28.0758 -5.68453 GPRESSAVG: 3022800 33.3194 -34.8311 10.5946 -34.7213 -14.4365 26.9347 9.89644 28.3045 -5.45836 TIMING: 3022800 CPU: 9442.47, 0.00313406/step Wall: 9442.47, 0.00313406/step, 1.7213 hours remaining, 234.457031 MB of memory in use. ENERGY: 3022800 4035.4000 20443.7313 14521.2499 266.0177 -203264.0271 2798.3991 0.0000 0.0000 51851.0603 -109348.1687 297.9888 -161199.2290 -108975.7199 299.0978 92.8167 124.3614 761247.1592 4.3573 4.4748 PRESSURE: 3023000 -0.034912 -53.2913 3.14544 -53.2903 -90.6479 -12.1033 3.14539 -12.1039 -205.495 GPRESSURE: 3023000 -72.7137 -1.39505 46.8987 -103.799 -17.6142 -118.539 23.0606 -12.0554 -145.265 PRESSAVG: 3023000 -5.47243 -9.72295 34.8504 -9.72303 20.6577 2.45956 34.8503 2.45951 11.3703 GPRESSAVG: 3023000 -4.78477 -8.10079 34.081 -9.12314 20.0665 3.26633 34.172 -0.230902 11.3493 TIMING: 3023000 CPU: 9443.09, 0.00311236/step Wall: 9443.09, 0.00311236/step, 1.7092 hours remaining, 234.457031 MB of memory in use. ENERGY: 3023000 4024.3902 20465.7631 14416.9812 262.2446 -203258.2054 2557.1403 0.0000 0.0000 52159.5976 -109372.0884 299.7619 -161531.6861 -109007.2191 299.5402 -98.7260 -78.5310 763420.6778 8.8518 8.8770 PRESSURE: 3023200 24.688 -205.768 -163.136 -205.768 -389.832 230.896 -163.136 230.896 -30.3061 GPRESSURE: 3023200 20.5758 -291.76 -139.825 -220.934 -287.94 267.694 -119.819 241.453 -14.5392 PRESSAVG: 3023200 -15.3927 -7.22378 -40.1299 -7.22381 -50.3991 -12.9521 -40.13 -12.9521 -21.4632 GPRESSAVG: 3023200 -14.2855 -8.64032 -39.4193 -7.73075 -50.9735 -12.1344 -40.8008 -12.0797 -21.5297 TIMING: 3023200 CPU: 9443.72, 0.0031318/step Wall: 9443.72, 0.0031318/step, 1.7197 hours remaining, 234.457031 MB of memory in use. ENERGY: 3023200 3888.5578 20352.4999 14379.1463 250.6845 -203338.3160 2603.6873 0.0000 0.0000 52208.2206 -109655.5195 300.0414 -161863.7402 -109285.4892 299.3674 -131.8167 -93.9677 761648.1265 -29.0850 -28.9295 PRESSURE: 3023400 176.652 165.651 128.364 165.652 46.5182 -207.196 128.365 -207.195 222.707 GPRESSURE: 3023400 267.758 84.6347 198.432 114.33 26.9561 -97.2404 55.3194 -119.732 230.556 PRESSAVG: 3023400 -17.684 14.2296 -20.5747 14.2297 16.5313 2.9552 -20.5747 2.95526 -5.46793 GPRESSAVG: 3023400 -17.625 16.7275 -19.6387 12.501 16.2966 0.580319 -19.4298 4.34567 -5.17914 TIMING: 3023400 CPU: 9444.35, 0.00313551/step Wall: 9444.35, 0.00313551/step, 1.72157 hours remaining, 234.457031 MB of memory in use. ENERGY: 3023400 4008.3888 20545.1423 14433.7705 247.6561 -203355.7319 2566.2438 0.0000 0.0000 52118.7665 -109435.7639 299.5273 -161554.5304 -109077.2901 298.7181 148.6259 175.0902 759938.4425 -2.2069 -2.1692 PRESSURE: 3023600 217.492 274.595 -130.039 274.595 -203.153 -213.792 -130.04 -213.794 -29.0803 GPRESSURE: 3023600 213.653 270.267 -199.855 168.751 -159.535 -306.928 -36.7023 -247.898 22.2972 PRESSAVG: 3023600 30.2392 35.9775 -27.566 35.9775 6.12816 -61.419 -27.566 -61.419 26.8617 GPRESSAVG: 3023600 30.9822 33.6779 -28.3755 37.3986 5.96587 -59.5284 -26.2861 -61.6787 25.9785 TIMING: 3023600 CPU: 9444.98, 0.00314058/step Wall: 9444.98, 0.00314058/step, 1.72418 hours remaining, 234.457031 MB of memory in use. ENERGY: 3023600 4007.2387 20488.5400 14514.0970 245.8550 -203862.7429 2810.8384 0.0000 0.0000 52142.9086 -109653.2654 299.6660 -161796.1740 -109295.5767 299.8461 -4.9135 25.4717 759367.1869 21.0763 20.9755 PRESSURE: 3023800 384.935 -51.2619 -19.5376 -51.2635 -110.473 5.03092 -19.5373 5.03148 66.3461 GPRESSURE: 3023800 469.822 -26.9408 -2.48133 -0.651818 -143.288 11.4641 -79.971 65.6694 94.826 PRESSAVG: 3023800 30.763 50.5304 -22.8129 50.5303 2.42685 -58.6278 -22.8129 -58.6278 23.0121 GPRESSAVG: 3023800 31.2755 51.2518 -20.1556 50.0981 1.12521 -59.6246 -24.4678 -59.1852 23.324 TIMING: 3023800 CPU: 9445.6, 0.00312496/step Wall: 9445.6, 0.00312496/step, 1.71543 hours remaining, 234.457031 MB of memory in use. ENERGY: 3023800 3964.4867 20691.1812 14402.1757 235.0807 -203923.1738 2921.9588 0.0000 0.0000 52016.6855 -109691.6052 298.9406 -161708.2907 -109325.4478 299.3831 113.6028 140.4533 760341.1533 18.7340 18.5749 PRESSURE: 3024000 213.778 16.8014 -1.52149 16.8017 -88.1683 -82.4555 -1.52146 -82.4562 167.664 GPRESSURE: 3024000 170.277 -20.6142 -7.69025 62.4865 27.8803 -55.3524 -31.5377 -40.5518 207.461 PRESSAVG: 3024000 40.8589 105.275 21.8445 105.275 -44.1805 -45.4043 21.8445 -45.4044 -1.0752 GPRESSAVG: 3024000 38.5879 105.472 18.1749 104.582 -42.2197 -45.876 23.1636 -45.9817 -0.624637 TIMING: 3024000 CPU: 9446.23, 0.00315202/step Wall: 9446.23, 0.00315202/step, 1.73011 hours remaining, 234.457031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3024000 4038.0417 20493.1860 14452.2037 248.8245 -203531.8268 2664.9074 0.0000 0.0000 52192.5738 -109442.0897 299.9514 -161634.6635 -109069.2644 298.7027 97.7579 135.2062 762463.0977 -1.4656 -1.4188 PRESSURE: 3024200 -335.843 8.16695 71.9641 8.16666 -285.159 -32.9053 71.9647 -32.906 -400.028 GPRESSURE: 3024200 -188.752 -10.3797 42.3249 -1.03155 -353.346 -23.1742 -5.2468 -20.5328 -376.855 PRESSAVG: 3024200 76.7477 58.8277 -17.3037 58.8276 -55.7029 -0.381276 -17.3036 -0.381286 8.7858 GPRESSAVG: 3024200 77.6802 56.599 -15.2882 59.8826 -57.4308 0.823868 -19.1563 0.198123 9.69654 TIMING: 3024200 CPU: 9446.86, 0.00312323/step Wall: 9446.86, 0.00312323/step, 1.71413 hours remaining, 234.457031 MB of memory in use. ENERGY: 3024200 4145.4671 20728.6177 14449.9215 232.3011 -203596.6100 2607.9874 0.0000 0.0000 52230.2669 -109202.0483 300.1681 -161432.3152 -108841.1320 299.7044 -340.3433 -306.3176 761737.4348 9.9435 9.9820 LDB: ============= START OF LOAD BALANCING ============== 9459.34 LDB: ============== END OF LOAD BALANCING =============== 9459.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9459.34 LDB: ============= START OF LOAD BALANCING ============== 9459.65 LDB: Largest compute 7007 load 0.029633 is 15.2% of average load 0.195143 LDB: Average compute 0.004380 is 2.2% of average load 0.195143 LDB: TIME 9459.66 LOAD: AVG 0.195143 MAX 0.217945 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.512 MB LDB: TIME 9459.66 LOAD: AVG 0.195143 MAX 0.217945 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.582 MB LDB: TIME 9459.66 LOAD: AVG 0.195143 MAX 0.217586 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.582 MB LDB: ============== END OF LOAD BALANCING =============== 9459.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9459.66 PRESSURE: 3024400 137.393 -82.9193 -84.0926 -82.9187 -389.556 7.26644 -84.0933 7.26548 -73.0947 GPRESSURE: 3024400 -9.19212 6.95296 -49.3133 -2.59318 -240.077 59.7895 -41.4723 -132.451 10.8138 PRESSAVG: 3024400 -27.9224 -30.8727 23.7408 -30.8726 0.0461442 -97.8983 23.7408 -97.8982 12.1199 GPRESSAVG: 3024400 -28.1078 -29.7509 22.3489 -31.6195 1.10408 -97.4607 25.5252 -99.3089 11.8311 TIMING: 3024400 CPU: 9447.5, 0.00321236/step Wall: 9447.5, 0.00321236/step, 1.76287 hours remaining, 234.511719 MB of memory in use. ENERGY: 3024400 4053.9684 20539.3542 14459.0276 250.0207 -202785.3098 2390.1174 0.0000 0.0000 52123.3313 -108969.4901 299.5535 -161092.8215 -108605.4812 300.4267 -108.4193 -79.4852 762904.2016 -5.2521 -5.0575 PRESSURE: 3024600 -199.686 9.08424 -168.908 9.08412 -260.019 -58.8263 -168.907 -58.8258 95.7415 GPRESSURE: 3024600 -137.232 -19.4326 -173.289 -83.9842 -261.873 -110.515 -144.725 -27.6675 116.689 PRESSAVG: 3024600 -22.9939 -26.7502 31.1647 -26.7503 -13.315 -39.5463 31.1647 -39.5464 5.3239 GPRESSAVG: 3024600 -23.7476 -26.5803 32.2111 -26.0915 -11.6221 -41.5928 30.6704 -37.9944 4.31942 TIMING: 3024600 CPU: 9448.13, 0.00315492/step Wall: 9448.13, 0.00315492/step, 1.73117 hours remaining, 234.511719 MB of memory in use. ENERGY: 3024600 4072.7116 20801.5395 14504.7474 249.3056 -203103.3966 2354.9291 0.0000 0.0000 52245.8034 -108874.3600 300.2574 -161120.1634 -108505.4243 300.3985 -121.3212 -94.1385 763048.8272 -10.3283 -10.3501 PRESSURE: 3024800 38.0672 -143.6 -312.765 -143.601 169.619 -27.1758 -312.764 -27.1765 26.8853 GPRESSURE: 3024800 165.779 -76.8162 -260.135 -89.32 165.499 -31.6907 -360.387 -62.1838 -24.9074 PRESSAVG: 3024800 -38.2406 -0.144258 -1.88838 -0.144217 8.29301 -43.8641 -1.88839 -43.8642 1.74362 GPRESSAVG: 3024800 -36.5271 -0.28384 -2.62606 0.622034 6.75596 -43.4387 -3.38631 -43.2992 1.06447 TIMING: 3024800 CPU: 9448.76, 0.00313653/step Wall: 9448.76, 0.00313653/step, 1.72091 hours remaining, 234.511719 MB of memory in use. ENERGY: 3024800 4061.1024 20678.3978 14452.5264 269.6286 -203235.8271 2379.6285 0.0000 0.0000 52442.6754 -108951.8680 301.3888 -161394.5434 -108580.7322 301.0693 78.1905 102.1235 760981.0464 -9.4013 -9.5689 PRESSURE: 3025000 -197.818 -164.004 200.498 -164.004 -184.377 -101.877 200.498 -101.877 -285.765 GPRESSURE: 3025000 -75.4308 -131.164 134.231 -207.214 -205.857 -121.004 163.855 -1.23935 -297.55 PRESSAVG: 3025000 2.61377 -11.7243 5.30795 -11.7243 18.6436 -72.5667 5.30798 -72.5667 -6.80831 GPRESSAVG: 3025000 2.07374 -11.3689 5.81238 -12.7662 18.3661 -72.6141 5.79203 -71.3234 -5.34968 TIMING: 3025000 CPU: 9449.38, 0.00314291/step Wall: 9449.38, 0.00314291/step, 1.72423 hours remaining, 234.511719 MB of memory in use. ENERGY: 3025000 4000.4913 20690.2441 14417.5415 247.7111 -203088.9302 2385.7327 0.0000 0.0000 52352.7715 -108994.4379 300.8721 -161347.2094 -108614.0271 300.4987 -222.6531 -192.9459 762349.9411 4.8163 5.0301 PRESSURE: 3025200 -45.4021 -102.486 -61.506 -102.487 -197.757 -132.767 -61.5061 -132.766 -272.271 GPRESSURE: 3025200 -94.3883 -76.6693 -119.624 -43.0155 -148.072 -102.963 -69.3196 -102.68 -200.444 PRESSAVG: 3025200 -5.03824 54.6791 9.0675 54.6791 -37.0675 -102.822 9.06743 -102.822 28.802 GPRESSAVG: 3025200 -6.53132 54.2683 8.03032 54.1284 -34.5022 -101.504 9.11024 -104.761 28.6574 TIMING: 3025200 CPU: 9450.01, 0.00314317/step Wall: 9450.01, 0.00314317/step, 1.7242 hours remaining, 234.511719 MB of memory in use. ENERGY: 3025200 3978.5436 20805.0634 14502.3025 238.0492 -203355.3555 2523.6101 0.0000 0.0000 52229.2528 -109078.5340 300.1622 -161307.7868 -108710.6589 300.0399 -171.8101 -147.6347 761472.8437 -4.4346 -4.1254 PRESSURE: 3025400 -370.8 -93.9394 2.58329 -93.9399 64.5531 -70.6495 2.58383 -70.6504 36.6115 GPRESSURE: 3025400 -251.325 -103.534 -27.5227 -75.1734 22.8798 -63.9405 52.246 -87.7524 47.7375 PRESSAVG: 3025400 11.6026 -16.3345 36.4719 -16.3345 -16.4475 -43.9675 36.472 -43.9676 17.9896 GPRESSAVG: 3025400 13.0014 -15.4182 38.8228 -16.0415 -17.1728 -44.941 35.0571 -41.0657 17.619 TIMING: 3025400 CPU: 9450.65, 0.00315956/step Wall: 9450.65, 0.00315956/step, 1.73302 hours remaining, 234.511719 MB of memory in use. ENERGY: 3025400 3990.4419 20595.2648 14427.0328 256.7154 -203038.0431 2429.6495 0.0000 0.0000 52239.2585 -109099.6802 300.2197 -161338.9387 -108729.2292 299.8968 -89.8784 -60.2360 762018.3643 4.3815 4.4825 PRESSURE: 3025600 -188.229 114.213 100.667 114.213 -475.883 85.4928 100.666 85.4932 128.165 GPRESSURE: 3025600 -216.731 126.754 29.4482 131.716 -368.631 48.9177 96.0011 42.6148 141.708 PRESSAVG: 3025600 30.8145 12.987 -18.074 12.987 -29.2027 -16.9701 -18.074 -16.9701 5.41399 GPRESSAVG: 3025600 31.0143 10.9222 -20.315 12.5301 -28.7943 -17.9171 -17.6278 -20.2184 5.02271 TIMING: 3025600 CPU: 9451.27, 0.00314812/step Wall: 9451.27, 0.00314812/step, 1.72657 hours remaining, 234.511719 MB of memory in use. ENERGY: 3025600 4008.4056 20862.9135 14451.4578 239.1407 -202774.9617 2201.3142 0.0000 0.0000 52124.0064 -108887.7236 299.5574 -161011.7300 -108538.3859 300.2047 -178.6491 -147.8845 762577.1076 2.3419 2.4142 PRESSURE: 3025800 94.3024 -314.505 193.448 -314.506 160.203 55.8976 193.45 55.8976 160.564 GPRESSURE: 3025800 53.7665 -174.529 125.018 -337.308 271.036 163.835 265.548 68.2559 172.412 PRESSAVG: 3025800 31.2074 -4.71546 -12.3412 -4.71546 -40.5457 -27.8819 -12.3413 -27.8819 -2.47136 GPRESSAVG: 3025800 30.3276 -3.45853 -12.1729 -5.1503 -41.1118 -27.231 -11.1413 -27.0698 -0.963218 TIMING: 3025800 CPU: 9451.9, 0.00313951/step Wall: 9451.9, 0.00313951/step, 1.72167 hours remaining, 234.511719 MB of memory in use. ENERGY: 3025800 3990.4562 20569.8519 14490.0477 277.6924 -203169.3090 2683.4784 0.0000 0.0000 52181.0031 -108976.7793 299.8849 -161157.7824 -108619.0175 300.5168 138.3565 165.7381 762072.3626 -3.9365 -3.9158 PRESSURE: 3026000 -381.826 -255.047 -120.921 -255.047 -187.016 -232.826 -120.921 -232.826 -193.58 GPRESSURE: 3026000 -341.688 -169.937 -71.1566 -246.519 -163.197 -205.775 -35.2045 -252.591 -152.366 PRESSAVG: 3026000 -55.3729 -36.8547 -33.9162 -36.8547 43.994 -21.4981 -33.9163 -21.498 28.3533 GPRESSAVG: 3026000 -54.6803 -37.051 -33.618 -36.3487 44.9234 -20.5169 -32.9298 -22.7612 27.4979 TIMING: 3026000 CPU: 9452.53, 0.00315036/step Wall: 9452.53, 0.00315036/step, 1.72745 hours remaining, 234.511719 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: 3026000 4035.8207 20772.0462 14470.2394 239.8221 -202844.8651 2184.5483 0.0000 0.0000 52027.9601 -109114.4283 299.0054 -161142.3884 -108752.1237 299.8423 -254.1405 -219.0836 761803.3063 5.6581 5.9137 PRESSURE: 3026200 0.119939 243.595 68.7951 243.594 -272.67 -383.579 68.7949 -383.58 -482.429 GPRESSURE: 3026200 9.30538 249.608 15.8168 302.939 -175.472 -435.248 49.7473 -177.264 -506.368 PRESSAVG: 3026200 -5.21773 35.0615 -8.71251 35.0614 4.35868 -46.8703 -8.71253 -46.8702 -4.09863 GPRESSAVG: 3026200 -5.00849 33.4994 -7.71787 35.6509 3.66669 -47.7765 -10.5647 -45.8461 -3.89926 TIMING: 3026200 CPU: 9453.16, 0.00315858/step Wall: 9453.16, 0.00315858/step, 1.73178 hours remaining, 234.511719 MB of memory in use. ENERGY: 3026200 3953.3636 20625.6159 14552.1274 234.5082 -203220.2995 2522.1122 0.0000 0.0000 52334.3239 -108998.2482 300.7661 -161332.5721 -108625.9716 300.2515 -251.6599 -224.1782 761926.8169 -1.6526 -1.7470 PRESSURE: 3026400 -251.262 -97.8533 133.527 -97.853 -22.004 -69.1219 133.527 -69.1221 -31.6096 GPRESSURE: 3026400 -152.911 -106.07 53.9268 -34.6478 -72.3691 -89.7861 158.616 -92.091 2.40656 PRESSAVG: 3026400 -8.1832 4.93892 73.5381 4.93891 23.8642 -39.9494 73.5381 -39.9496 0.516575 GPRESSAVG: 3026400 -8.21695 7.83478 73.2308 3.91546 23.1039 -39.2663 73.7843 -39.1526 0.928769 TIMING: 3026400 CPU: 9453.8, 0.00316252/step Wall: 9453.8, 0.00316252/step, 1.73376 hours remaining, 234.511719 MB of memory in use. ENERGY: 3026400 3987.4523 20574.6845 14516.3251 240.3072 -203107.6882 2417.4457 0.0000 0.0000 52391.2201 -108980.2533 301.0931 -161371.4734 -108610.0414 300.3483 -101.6253 -74.2912 762627.9791 5.3992 5.2719 PRESSURE: 3026600 343.326 63.4417 -190.569 63.4414 121.809 -57.4782 -190.569 -57.4775 133.861 GPRESSURE: 3026600 338.624 146.341 -156.964 43.7057 221.218 -80.1214 -243.275 -146.352 141.887 PRESSAVG: 3026600 12.4314 -25.1429 -28.9592 -25.1429 -11.4073 -10.4144 -28.9591 -10.4143 2.55028 GPRESSAVG: 3026600 11.2957 -26.0984 -28.8657 -24.5376 -10.188 -12.6428 -29.5272 -13.3066 2.39272 TIMING: 3026600 CPU: 9454.43, 0.00315489/step Wall: 9454.43, 0.00315489/step, 1.72941 hours remaining, 234.511719 MB of memory in use. ENERGY: 3026600 3853.7446 20544.1662 14451.1603 253.1216 -202941.5033 2541.2110 0.0000 0.0000 52199.9192 -109098.1803 299.9937 -161298.0996 -108736.0731 299.9582 199.6654 233.9096 761690.4830 1.1915 1.1668 PRESSURE: 3026800 -279.978 -191.328 310.245 -191.328 -113.068 101.009 310.246 101.009 -157.619 GPRESSURE: 3026800 -221.329 -66.5354 322.617 -265.996 -62.4488 71.3416 206.23 141.918 -175.714 PRESSAVG: 3026800 22.1507 -32.5749 17.0475 -32.5749 -11.8025 -44.2853 17.0475 -44.2854 23.404 GPRESSAVG: 3026800 22.3764 -32.3925 16.973 -33.0999 -12.5051 -43.6572 17.5663 -41.4645 24.9499 TIMING: 3026800 CPU: 9455.06, 0.0031695/step Wall: 9455.06, 0.0031695/step, 1.73724 hours remaining, 234.511719 MB of memory in use. ENERGY: 3026800 4087.9228 20578.1891 14476.7801 235.2125 -203065.7286 2408.2805 0.0000 0.0000 52101.0659 -109178.2778 299.4255 -161279.3437 -108813.4892 299.6010 -183.5552 -153.1638 761093.4168 11.2507 11.6070 PRESSURE: 3027000 -382.5 -7.78802 -14.197 -7.78825 -13.3396 -68.8429 -14.1961 -68.8428 190.71 GPRESSURE: 3027000 -337.909 -121.825 104.717 3.49011 -9.12395 -8.75283 -123.045 -109.171 215.681 PRESSAVG: 3027000 -37.4965 -8.296 24.6465 -8.296 -38.3321 -4.83435 24.6465 -4.83441 -19.8712 GPRESSAVG: 3027000 -36.7857 -9.27853 25.8588 -7.4389 -38.2741 -3.58158 24.7558 -6.34823 -21.0326 TIMING: 3027000 CPU: 9455.69, 0.00315965/step Wall: 9455.69, 0.00315965/step, 1.73166 hours remaining, 234.511719 MB of memory in use. ENERGY: 3027000 3964.5354 20567.1604 14505.9343 256.9364 -203150.7219 2440.6226 0.0000 0.0000 52262.9261 -109152.6067 300.3558 -161415.5328 -108783.0378 299.7784 -68.3765 -43.7840 761672.5842 -31.8999 -32.0308 PRESSURE: 3027200 2.19065 -52.8141 -38.8463 -52.8131 138.209 82.3025 -38.8467 82.3024 68.5986 GPRESSURE: 3027200 -3.08578 113.317 6.78092 -68.3605 220.219 88.2298 -52.9074 30.1379 85.5579 PRESSAVG: 3027200 -20.1392 -2.93082 0.622652 -2.93083 23.5562 -14.1684 0.622698 -14.1684 -8.13642 GPRESSAVG: 3027200 -18.7097 -0.920081 -2.55301 -3.99117 23.1691 -15.2386 -0.0317577 -14.0366 -9.21935 TIMING: 3027200 CPU: 9456.32, 0.00313592/step Wall: 9456.32, 0.00313592/step, 1.71848 hours remaining, 234.511719 MB of memory in use. ENERGY: 3027200 4100.1460 20605.5014 14400.1432 231.8933 -203164.1513 2410.3072 0.0000 0.0000 51953.4543 -109462.7059 298.5772 -161416.1602 -109106.5615 299.4801 69.6660 100.8970 760335.5239 -1.5731 -1.5867 PRESSURE: 3027400 -94.0744 94.6368 28.5036 94.6368 -334.066 -199.004 28.5031 -199.004 -144.33 GPRESSURE: 3027400 -114.683 -41.2611 -20.1453 100.756 -255.674 -142.387 -5.50728 -100.111 -95.9299 PRESSAVG: 3027400 -1.7177 -38.2669 -8.02921 -38.2668 -30.7566 25.6209 -8.02923 25.6209 5.16504 GPRESSAVG: 3027400 -3.24123 -40.9876 -7.2942 -36.2289 -29.8462 26.0414 -6.85393 26.6872 5.89706 TIMING: 3027400 CPU: 9456.95, 0.00314638/step Wall: 9456.95, 0.00314638/step, 1.72404 hours remaining, 234.511719 MB of memory in use. ENERGY: 3027400 3979.4672 20717.2426 14442.0321 246.6971 -202821.1668 2116.5692 0.0000 0.0000 51564.8186 -109754.3400 296.3437 -161319.1586 -109392.8766 298.6242 -190.8235 -155.4289 760472.1169 -9.1031 -9.0635 PRESSURE: 3027600 -27.8474 32.4076 45.0686 32.4078 36.1352 -153.681 45.0685 -153.681 125.319 GPRESSURE: 3027600 83.4985 -11.6182 156.458 -60.7254 6.32707 -126.906 -124.224 -59.8071 131.317 PRESSAVG: 3027600 -14.0923 -13.6398 50.8238 -13.6398 0.344437 -54.5094 50.8238 -54.5094 -1.30747 GPRESSAVG: 3027600 -14.8305 -12.9797 50.5021 -15.7081 0.0600414 -55.4395 47.2839 -57.0671 -0.814086 TIMING: 3027600 CPU: 9457.58, 0.00314051/step Wall: 9457.58, 0.00314051/step, 1.72065 hours remaining, 234.769531 MB of memory in use. ENERGY: 3027600 4038.9279 20494.5543 14486.1818 236.1640 -203813.9931 2846.2131 0.0000 0.0000 52120.3204 -109591.6317 299.5362 -161711.9520 -109226.6885 299.2957 44.5355 73.7141 759807.6047 -5.0185 -5.1948 PRESSURE: 3027800 -319.336 -55.6289 46.2367 -55.6291 176.127 -100.504 46.2366 -100.504 79.8149 GPRESSURE: 3027800 -194.965 42.8952 68.1966 79.3521 197.932 -24.519 84.3189 -104.498 25.7253 PRESSAVG: 3027800 -43.6006 -6.93284 17.6211 -6.93277 45.91 5.61346 17.6211 5.61352 -12.8753 GPRESSAVG: 3027800 -44.1632 -5.75128 19.7332 -5.76924 45.9362 7.51534 19.9106 8.78491 -12.7943 TIMING: 3027800 CPU: 9458.21, 0.0031437/step Wall: 9458.21, 0.0031437/step, 1.72223 hours remaining, 234.769531 MB of memory in use. ENERGY: 3027800 4014.5983 20690.7716 14499.8393 256.7849 -203904.9833 2730.9322 0.0000 0.0000 52100.8364 -109611.2207 299.4242 -161712.0572 -109250.4296 298.9018 -21.1313 9.5642 760923.0215 -3.5219 -3.6738 PRESSURE: 3028000 142.693 73.2229 94.2061 73.2225 -131.639 -21.116 94.2067 -21.117 -248.542 GPRESSURE: 3028000 117.019 82.5282 111.704 -43.3849 -52.6325 42.774 108.613 -54.3638 -239.348 PRESSAVG: 3028000 -9.78728 -45.155 16.3466 -45.1551 51.5054 -6.94849 16.3465 -6.94851 15.0411 GPRESSAVG: 3028000 -9.44086 -44.5527 15.4971 -44.9699 51.0552 -8.24031 17.3801 -8.77794 15.0078 TIMING: 3028000 CPU: 9458.84, 0.00314475/step Wall: 9458.84, 0.00314475/step, 1.72262 hours remaining, 234.769531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3028000 3854.0324 20519.1033 14472.9809 259.7637 -203405.2532 2581.3044 0.0000 0.0000 51952.7538 -109765.3147 298.5732 -161718.0685 -109401.0041 299.0206 -79.1627 -58.3205 762565.5662 18.9197 18.8740 PRESSURE: 3028200 92.1898 -61.1718 -128.55 -61.1725 -138.505 -76.183 -128.549 -76.184 -375.181 GPRESSURE: 3028200 108.814 -111.476 -71.5312 -20.0301 -80.9564 -76.9345 -154.149 23.5355 -379.242 PRESSAVG: 3028200 -2.68463 -15.8324 11.4149 -15.8325 -24.2789 3.87058 11.4149 3.87058 -17.0287 GPRESSAVG: 3028200 -1.70296 -16.0533 9.47077 -17.2378 -24.8987 2.423 12.8207 4.87473 -16.9816 TIMING: 3028200 CPU: 9459.47, 0.00314741/step Wall: 9459.47, 0.00314741/step, 1.72391 hours remaining, 234.769531 MB of memory in use. ENERGY: 3028200 4015.6472 20546.5813 14496.5958 245.1039 -203752.1248 2705.6122 0.0000 0.0000 52239.8426 -109502.7417 300.2231 -161742.5843 -109132.5356 298.5078 -140.4989 -117.1281 760435.4995 -14.6641 -14.5277 LDB: ============= START OF LOAD BALANCING ============== 9471.95 LDB: ============== END OF LOAD BALANCING =============== 9471.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9471.95 LDB: ============= START OF LOAD BALANCING ============== 9472.26 LDB: Largest compute 7030 load 0.030257 is 15.5% of average load 0.195153 LDB: Average compute 0.004396 is 2.3% of average load 0.195153 LDB: TIME 9472.27 LOAD: AVG 0.195153 MAX 0.216995 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.953 MB LDB: TIME 9472.27 LOAD: AVG 0.195153 MAX 0.216995 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.953 MB LDB: TIME 9472.27 LOAD: AVG 0.195153 MAX 0.216995 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.953 MB LDB: ============== END OF LOAD BALANCING =============== 9472.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9472.27 PRESSURE: 3028400 -166.674 3.53874 -157.017 3.53811 -429.151 163.372 -157.017 163.372 9.25315 GPRESSURE: 3028400 -48.4575 2.63028 -192.08 -59.8988 -392.009 94.4991 -117.415 49.1577 -52.2264 PRESSAVG: 3028400 -37.4851 19.2975 9.92156 19.2975 23.2856 23.9206 9.92153 23.9206 -1.8942 GPRESSAVG: 3028400 -35.9857 19.1988 11.5944 20.8899 23.523 26.9577 8.68879 21.6424 -2.97508 TIMING: 3028400 CPU: 9460.11, 0.00321557/step Wall: 9460.11, 0.00321557/step, 1.76106 hours remaining, 233.867188 MB of memory in use. ENERGY: 3028400 3952.2085 20576.3425 14421.9113 237.3011 -203486.5586 2724.8079 0.0000 0.0000 51882.3930 -109691.5943 298.1688 -161573.9872 -109326.0185 298.6261 -195.5239 -164.2309 761036.4134 -5.3646 -5.1459 PRESSURE: 3028600 89.5922 198.025 -20.3565 198.025 173.784 -184.239 -20.357 -184.238 -240.277 GPRESSURE: 3028600 58.398 21.999 -18.6611 63.4505 243.998 -186.095 59.0141 -186.172 -201.976 PRESSAVG: 3028600 13.2685 21.4411 64.6177 21.4412 -23.1499 -3.8225 64.6177 -3.82253 3.10606 GPRESSAVG: 3028600 10.5072 22.086 64.5089 20.4656 -23.168 -3.85577 65.0855 -1.79749 5.58471 TIMING: 3028600 CPU: 9460.74, 0.00314252/step Wall: 9460.74, 0.00314252/step, 1.72088 hours remaining, 233.867188 MB of memory in use. ENERGY: 3028600 4003.7641 20520.8201 14490.6995 230.2502 -203440.9675 2727.2784 0.0000 0.0000 51816.1441 -109652.0111 297.7881 -161468.1552 -109302.7730 298.3751 7.6998 33.4732 763186.3828 -2.2584 -2.3587 PRESSURE: 3028800 -100.927 -11.4572 159.504 -11.4575 158.579 82.2233 159.503 82.2219 118.797 GPRESSURE: 3028800 -8.76719 -46.2913 179.764 -4.9852 124.336 45.1721 216.856 169.953 139.941 PRESSAVG: 3028800 -45.9627 -59.603 -15.1261 -59.603 21.5561 -26.7325 -15.1261 -26.7325 -14.5664 GPRESSAVG: 3028800 -44.4299 -60.7415 -16.0248 -59.5869 20.3814 -28.8673 -16.1156 -25.9741 -15.5154 TIMING: 3028800 CPU: 9461.36, 0.00313464/step Wall: 9461.36, 0.00313464/step, 1.71639 hours remaining, 233.867188 MB of memory in use. ENERGY: 3028800 3966.2062 20455.2036 14467.2903 245.3707 -203161.4681 2660.5176 0.0000 0.0000 52012.8860 -109353.9937 298.9188 -161366.8797 -108978.8906 298.8719 58.8162 85.1698 763332.1501 -12.9910 -13.1880 PRESSURE: 3029000 -413.041 -86.2158 -90.443 -86.2157 75.9024 59.0419 -90.4434 59.0417 -320.937 GPRESSURE: 3029000 -394.776 -51.3231 -55.6965 -28.1826 56.0998 118.163 -15.802 62.0344 -238.158 PRESSAVG: 3029000 -23.8048 1.44241 -8.36479 1.44239 -11.4288 5.77548 -8.36473 5.77555 15.718 GPRESSAVG: 3029000 -24.7753 2.08179 -7.01212 -0.123171 -10.2178 7.04913 -8.2226 4.45934 15.6646 TIMING: 3029000 CPU: 9461.99, 0.00314262/step Wall: 9461.99, 0.00314262/step, 1.72058 hours remaining, 233.867188 MB of memory in use. ENERGY: 3029000 4009.5410 20553.8292 14443.2817 248.4613 -203349.4849 2597.1768 0.0000 0.0000 52002.4874 -109494.7075 298.8590 -161497.1949 -109127.5011 299.0535 -219.3587 -192.2779 762858.6671 -6.5052 -6.4428 PRESSURE: 3029200 74.0842 103.956 291.449 103.956 194.916 76.5213 291.45 76.5207 191.02 GPRESSURE: 3029200 172.847 65.6958 317.816 147.378 231.309 -17.1759 152.678 180.013 138.875 PRESSAVG: 3029200 -60.5212 -15.277 -28.9885 -15.277 -4.20364 55.9841 -28.9884 55.9841 -6.88446 GPRESSAVG: 3029200 -59.8797 -15.2832 -30.0594 -12.5459 -4.37336 54.2925 -30.0917 58.7454 -7.46556 TIMING: 3029200 CPU: 9462.62, 0.00314538/step Wall: 9462.62, 0.00314538/step, 1.72192 hours remaining, 233.867188 MB of memory in use. ENERGY: 3029200 3976.3540 20365.3590 14415.6782 237.5940 -203073.0772 2693.3826 0.0000 0.0000 51930.5027 -109454.2067 298.4453 -161384.7094 -109088.7586 298.4677 153.3401 181.0103 761420.9880 -23.8698 -23.9062 PRESSURE: 3029400 -384.146 193.6 -203.749 193.6 -353.829 85.6915 -203.75 85.6906 -116.57 GPRESSURE: 3029400 -360.001 156.578 -169.176 123.655 -286.994 79.4183 -52.7109 78.1918 -113.464 PRESSAVG: 3029400 41.3401 33.4431 -18.9406 33.4431 -43.2337 17.5038 -18.9407 17.5037 11.0854 GPRESSAVG: 3029400 42.4953 32.7485 -18.2185 29.0689 -44.7594 19.0279 -16.5845 15.0773 11.5056 TIMING: 3029400 CPU: 9463.25, 0.0031375/step Wall: 9463.25, 0.0031375/step, 1.71743 hours remaining, 233.867188 MB of memory in use. ENERGY: 3029400 4000.3729 20405.7835 14445.5668 273.7830 -203084.8555 2575.5433 0.0000 0.0000 52079.6739 -109304.1321 299.3026 -161383.8060 -108938.6489 299.2662 -284.8484 -253.4862 762983.4759 3.0639 3.0805 PRESSURE: 3029600 66.6521 184.99 -79.2905 184.99 22.1442 205.818 -79.2908 205.818 -54.3107 GPRESSURE: 3029600 -10.0578 198.402 -154.066 99.1057 95.3243 217.473 -51.8277 260.173 18.6849 PRESSAVG: 3029600 52.8989 1.39555 28.8412 1.39551 -6.83469 47.6422 28.8411 47.6423 13.0048 GPRESSAVG: 3029600 51.5656 1.65052 27.8488 5.05768 -5.0483 47.9571 28.7792 46.9064 13.1897 TIMING: 3029600 CPU: 9463.88, 0.00313603/step Wall: 9463.88, 0.00313603/step, 1.71646 hours remaining, 233.867188 MB of memory in use. ENERGY: 3029600 4003.6546 20479.3802 14497.4100 240.4474 -203034.8140 2550.3554 0.0000 0.0000 52035.9220 -109227.6443 299.0512 -161263.5663 -108869.1434 299.4394 11.4952 34.6505 761204.4960 19.6897 19.9023 PRESSURE: 3029800 -175.521 153.896 269.319 153.896 166.495 -7.29543 269.319 -7.29541 -228.317 GPRESSURE: 3029800 -126.919 78.5632 327.635 126.707 175.527 11.27 147.731 -139.151 -215.49 PRESSAVG: 3029800 30.0163 36.7149 38.0487 36.715 -7.55497 27.9765 38.0487 27.9766 -1.6212 GPRESSAVG: 3029800 30.2358 36.4182 38.1275 34.4799 -7.07797 27.7103 35.7127 28.6395 -2.34409 TIMING: 3029800 CPU: 9464.51, 0.00315633/step Wall: 9464.51, 0.00315633/step, 1.72739 hours remaining, 233.867188 MB of memory in use. ENERGY: 3029800 3968.8212 20459.3914 14428.2213 248.4149 -203123.9166 2635.8377 0.0000 0.0000 52161.2639 -109221.9662 299.7715 -161383.2301 -108858.4102 299.4506 -79.1143 -55.6277 763242.4806 6.9467 6.9379 PRESSURE: 3030000 221.46 266.18 -15.3776 266.18 133.372 168.124 -15.3778 168.124 -21.2705 GPRESSURE: 3030000 279.975 240.383 32.9575 122.852 144.415 209.572 54.2022 78.2792 -3.07909 PRESSAVG: 3030000 64.8031 68.6596 -26.9973 68.6595 -9.89373 23.7146 -26.9974 23.7146 -19.5188 GPRESSAVG: 3030000 64.4635 69.5606 -27.1196 69.685 -9.9376 23.7062 -28.4703 23.5299 -19.6872 TIMING: 3030000 CPU: 9465.14, 0.00315587/step Wall: 9465.14, 0.00315587/step, 1.72696 hours remaining, 233.867188 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: 3030000 3968.3678 20397.2280 14459.5269 262.1145 -202914.9998 2648.4525 0.0000 0.0000 52079.5485 -109099.7616 299.3019 -161179.3102 -108745.3306 299.5446 111.1871 140.4371 760739.6359 11.7968 11.6129 PRESSURE: 3030200 157.875 -196.263 -34.2093 -196.263 55.6271 5.70967 -34.2092 5.70985 680.499 GPRESSURE: 3030200 222.847 -127.919 -119.623 -195.741 106.074 15.9948 31.2597 -58.3662 642.641 PRESSAVG: 3030200 -67.7182 21.1835 38.9898 21.1835 46.3436 -15.2937 38.9898 -15.2937 27.1687 GPRESSAVG: 3030200 -67.5783 19.3115 39.4177 21.4793 46.1022 -17.0063 40.0599 -15.5685 27.1384 TIMING: 3030200 CPU: 9465.77, 0.00315573/step Wall: 9465.77, 0.00315573/step, 1.72671 hours remaining, 233.867188 MB of memory in use. ENERGY: 3030200 3939.5788 20439.1725 14448.2826 263.4806 -203084.5531 2940.1420 0.0000 0.0000 51795.4295 -109258.4671 297.6690 -161053.8966 -108905.0091 299.0987 298.0002 323.8539 762308.9255 1.9314 1.8874 PRESSURE: 3030400 -38.9259 100.991 179.436 100.99 167.356 -223.142 179.436 -223.141 -186.899 GPRESSURE: 3030400 -3.00809 84.0152 232.406 0.0785864 209.363 -147.133 39.3919 -201.918 -155.615 PRESSAVG: 3030400 -39.4707 13.6105 18.3481 13.6105 26.7864 12.0549 18.3481 12.0548 7.5643 GPRESSAVG: 3030400 -37.6573 13.3341 19.0638 14.1172 25.2018 13.5506 20.6592 11.5454 8.29535 TIMING: 3030400 CPU: 9466.4, 0.00316834/step Wall: 9466.4, 0.00316834/step, 1.73343 hours remaining, 233.867188 MB of memory in use. ENERGY: 3030400 3933.4557 20477.9516 14392.3297 252.9720 -202888.3345 2495.0641 0.0000 0.0000 52017.3626 -109319.1988 298.9445 -161336.5613 -108964.1851 298.9242 -19.4897 16.9132 761330.3628 -1.7067 -1.3867 PRESSURE: 3030600 43.3942 229.211 -170.819 229.211 -213.755 23.0702 -170.819 23.0693 -441.726 GPRESSURE: 3030600 61.816 96.3803 -153.856 154.104 -229.889 12.9584 -283.458 52.3841 -357.043 PRESSAVG: 3030600 -30.5172 9.3873 28.0259 9.38727 42.1689 14.9586 28.026 14.9586 9.26625 GPRESSAVG: 3030600 -31.7374 10.3371 27.0992 8.49862 43.394 14.4981 28.2152 16.8246 9.22656 TIMING: 3030600 CPU: 9467.03, 0.00314203/step Wall: 9467.03, 0.00314203/step, 1.71887 hours remaining, 233.867188 MB of memory in use. ENERGY: 3030600 3999.6116 20440.3173 14375.0767 244.3516 -203006.3975 2632.1241 0.0000 0.0000 52041.5130 -109273.4030 299.0833 -161314.9161 -108916.9864 299.2478 -204.0290 -175.0388 763185.4765 6.9726 6.9611 PRESSURE: 3030800 380.845 221.72 4.42401 221.72 108.18 27.7273 4.42453 27.7276 43.458 GPRESSURE: 3030800 468.162 195.845 -77.7061 202.341 135.609 46.275 64.945 -78.6567 40.0932 PRESSAVG: 3030800 22.6882 -41.3789 -68.0048 -41.3789 -20.0713 19.4529 -68.0048 19.4528 4.3853 GPRESSAVG: 3030800 21.397 -42.3582 -66.8786 -41.4462 -19.7577 20.9013 -69.4856 17.7437 5.21024 TIMING: 3030800 CPU: 9467.66, 0.00315557/step Wall: 9467.66, 0.00315557/step, 1.7261 hours remaining, 233.867188 MB of memory in use. ENERGY: 3030800 3970.2969 20419.2119 14452.8927 252.2477 -202849.8976 2590.0491 0.0000 0.0000 52168.3137 -108996.8858 299.8120 -161165.1994 -108633.3064 299.2751 177.4940 214.6214 761154.1292 2.3341 2.2832 PRESSURE: 3031000 -41.98 -9.45241 142.296 -9.45211 -108.268 213.611 142.296 213.611 200.675 GPRESSURE: 3031000 -55.9495 5.73371 217.885 47.7184 -55.2123 221.741 21.6164 175.594 253.096 PRESSAVG: 3031000 -41.6273 4.29297 -7.18001 4.29303 -0.650311 38.1274 -7.18005 38.1273 10.2503 GPRESSAVG: 3031000 -41.3779 5.78648 -6.01528 4.65804 -1.35295 37.5766 -7.92679 37.9266 10.5705 TIMING: 3031000 CPU: 9468.29, 0.00315347/step Wall: 9468.29, 0.00315347/step, 1.72477 hours remaining, 233.867188 MB of memory in use. ENERGY: 3031000 4021.2654 20508.5455 14457.2626 256.6591 -203010.8041 2670.2653 0.0000 0.0000 52314.8372 -108781.9690 300.6541 -161096.8062 -108430.2327 300.1762 16.8088 47.3115 763209.7527 -10.6757 -10.7201 PRESSURE: 3031200 209.556 -17.58 -245.654 -17.58 -49.0736 209.927 -245.654 209.927 158.619 GPRESSURE: 3031200 244.211 -63.0348 -287.127 -2.11433 36.9325 204.037 -255.237 90.656 128.738 PRESSAVG: 3031200 47.0867 -22.8493 -46.786 -22.8493 -26.4524 30.2319 -46.786 30.2318 -6.58395 GPRESSAVG: 3031200 48.1778 -22.6543 -47.9479 -23.4318 -25.8657 30.5959 -45.8577 29.8591 -8.18581 TIMING: 3031200 CPU: 9468.92, 0.00313557/step Wall: 9468.92, 0.00313557/step, 1.71481 hours remaining, 233.867188 MB of memory in use. ENERGY: 3031200 4015.1925 20496.1440 14445.3953 257.9299 -202888.0054 2420.5624 0.0000 0.0000 52025.0348 -109227.7465 298.9886 -161252.7812 -108867.8919 299.8262 106.3672 136.6271 762320.2698 4.6834 4.7088 PRESSURE: 3031400 -320.585 -141.106 -215.256 -141.105 -255.041 30.2939 -215.255 30.2932 185.512 GPRESSURE: 3031400 -311.791 -93.4764 -247.632 -139.85 -144.939 9.71422 -145.313 77.3247 148.884 PRESSAVG: 3031400 -13.3908 0.911411 -56.6884 0.911384 26.7748 -11.1639 -56.6883 -11.1639 21.524 GPRESSAVG: 3031400 -13.0542 1.82209 -57.1847 0.809256 27.2267 -13.7682 -56.4285 -12.5283 21.108 TIMING: 3031400 CPU: 9469.55, 0.00316048/step Wall: 9469.55, 0.00316048/step, 1.72825 hours remaining, 233.867188 MB of memory in use. ENERGY: 3031400 3986.7761 20502.0915 14510.5180 233.4964 -202860.1665 2407.2405 0.0000 0.0000 52105.9256 -109114.1183 299.4535 -161220.0439 -108740.8335 299.8523 -130.0383 -102.6154 762525.4112 11.6360 11.7602 PRESSURE: 3031600 -285.341 118.136 60.8373 118.135 -227.549 -37.7237 60.8379 -37.7228 26.6532 GPRESSURE: 3031600 -291.91 254.955 118.584 79.0423 -127.388 31.2216 152.878 -85.6506 21.4956 PRESSAVG: 3031600 7.55 -8.07693 9.19821 -8.07691 22.0306 33.6943 9.19823 33.6944 -8.72018 GPRESSAVG: 3031600 7.45582 -8.82974 9.89962 -6.99874 20.4176 37.2405 11.8637 35.0296 -7.61677 TIMING: 3031600 CPU: 9470.18, 0.0031588/step Wall: 9470.18, 0.0031588/step, 1.72716 hours remaining, 233.867188 MB of memory in use. ENERGY: 3031600 4009.7845 20409.3903 14458.5831 227.3769 -202927.1354 2367.3241 0.0000 0.0000 52186.2848 -109268.3917 299.9153 -161454.6766 -108896.4570 299.7449 -162.0787 -132.6008 761486.3585 6.9535 6.7522 PRESSURE: 3031800 -155.226 45.0342 18.5022 45.0349 -157.938 113.993 18.5023 113.992 -22.7136 GPRESSURE: 3031800 -40.4804 27.4932 29.3596 29.4518 -172.362 204.292 -78.2548 14.3388 -35.9597 PRESSAVG: 3031800 11.8705 -35.2666 21.6239 -35.2666 -49.9492 28.4809 21.6239 28.4809 9.7253 GPRESSAVG: 3031800 12.9227 -36.8715 20.0031 -33.8262 -49.8301 27.0661 19.347 27.5526 9.12911 TIMING: 3031800 CPU: 9470.81, 0.00314851/step Wall: 9470.81, 0.00314851/step, 1.72136 hours remaining, 233.867188 MB of memory in use. ENERGY: 3031800 3984.1539 20517.9438 14461.5804 236.8388 -202830.9915 2381.4530 0.0000 0.0000 52109.9933 -109139.0283 299.4768 -161249.0216 -108783.6163 299.3721 -111.9591 -82.9341 761397.3018 -9.4511 -9.2594 PRESSURE: 3032000 93.2763 -20.8682 -145.136 -20.8682 -132.442 44.2327 -145.137 44.233 -344.041 GPRESSURE: 3032000 101.142 -0.0755555 -171.821 59.7006 -111.146 50.9096 -187.773 -7.71467 -299.755 PRESSAVG: 3032000 29.1529 -26.4019 7.51565 -26.4019 18.9424 -20.5895 7.51565 -20.5895 11.451 GPRESSAVG: 3032000 28.0348 -24.449 7.15936 -27.6489 18.8817 -19.2856 7.49913 -18.9932 13.1257 TIMING: 3032000 CPU: 9471.44, 0.00314367/step Wall: 9471.44, 0.00314367/step, 1.71854 hours remaining, 233.867188 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: 3032000 3955.6150 20491.8813 14469.9045 252.8007 -203224.4180 2676.0743 0.0000 0.0000 52282.1151 -109096.0271 300.4660 -161378.1421 -108738.8786 300.0874 -127.7359 -103.2530 761310.8993 19.8488 20.0141 PRESSURE: 3032200 -191.725 57.2912 28.1311 57.2902 -4.61244 -62.3001 28.1312 -62.3004 -358.663 GPRESSURE: 3032200 -122.985 113.875 34.2691 -111.695 24.3239 -10.1314 -32.9582 -231.673 -344.671 PRESSAVG: 3032200 36.0477 33.9127 -43.2545 33.9128 -29.5835 -39.1483 -43.2545 -39.1484 4.25052 GPRESSAVG: 3032200 36.7359 32.4197 -42.7191 33.0311 -29.196 -41.5595 -43.5125 -41.0721 3.05951 TIMING: 3032200 CPU: 9472.08, 0.00315868/step Wall: 9472.08, 0.00315868/step, 1.72657 hours remaining, 233.867188 MB of memory in use. ENERGY: 3032200 3946.0776 20506.3878 14381.3114 249.3933 -202796.9972 2354.2740 0.0000 0.0000 52358.9456 -109000.6074 300.9076 -161359.5530 -108634.8313 299.9770 -185.0005 -147.7774 761560.8378 3.5716 3.5331 LDB: ============= START OF LOAD BALANCING ============== 9484.56 LDB: ============== END OF LOAD BALANCING =============== 9484.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9484.56 LDB: ============= START OF LOAD BALANCING ============== 9484.88 LDB: Largest compute 7030 load 0.029905 is 15.3% of average load 0.195149 LDB: Average compute 0.004384 is 2.2% of average load 0.195149 LDB: TIME 9484.88 LOAD: AVG 0.195149 MAX 0.218385 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.801 MB LDB: TIME 9484.88 LOAD: AVG 0.195149 MAX 0.218385 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.801 MB LDB: TIME 9484.88 LOAD: AVG 0.195149 MAX 0.215662 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.801 MB LDB: ============== END OF LOAD BALANCING =============== 9484.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9484.89 PRESSURE: 3032400 99.1877 -126.268 -98.474 -126.267 138.31 -194.617 -98.4735 -194.616 -67.4101 GPRESSURE: 3032400 150.216 -234.115 -98.4999 -87.95 127.108 -185.727 6.54353 -89.3386 -21.871 PRESSAVG: 3032400 -71.9386 -9.02468 -11.9733 -9.02473 21.2877 -21.1734 -11.9733 -21.1733 -7.11054 GPRESSAVG: 3032400 -72.3067 -8.1685 -10.9861 -8.3885 20.6053 -19.6153 -10.5712 -18.5549 -6.66223 TIMING: 3032400 CPU: 9472.72, 0.00323952/step Wall: 9472.72, 0.00323952/step, 1.77058 hours remaining, 233.742188 MB of memory in use. ENERGY: 3032400 3968.5821 20700.2806 14406.8748 242.8240 -203243.3751 2635.6894 0.0000 0.0000 52181.5457 -109107.5786 299.8881 -161289.1242 -108755.3085 299.9994 56.6960 85.1510 761514.2279 -19.2538 -19.4545 PRESSURE: 3032600 -62.9673 37.0991 150.507 37.1 172.643 80.4804 150.507 80.4803 235.446 GPRESSURE: 3032600 -60.9122 128.52 269.724 -35.5785 188.473 135.356 64.4817 120.152 321.538 PRESSAVG: 3032600 -25.4883 38.9525 27.5485 38.9525 46.9489 21.1925 27.5485 21.1925 19.8787 GPRESSAVG: 3032600 -26.5207 40.4161 27.1793 38.4478 48.1376 21.6505 27.4312 21.8056 19.9767 TIMING: 3032600 CPU: 9473.36, 0.00316121/step Wall: 9473.36, 0.00316121/step, 1.7276 hours remaining, 233.742188 MB of memory in use. ENERGY: 3032600 3913.3165 20641.4545 14450.1346 245.5960 -202986.6276 2589.4048 0.0000 0.0000 51835.2904 -109311.4307 297.8981 -161146.7211 -108957.8794 299.3852 115.0406 149.6997 762632.7825 13.7798 13.8645 PRESSURE: 3032800 -254.803 -4.47402 -133.492 -4.47435 -243.258 159.787 -133.492 159.788 -181.251 GPRESSURE: 3032800 -174.515 -81.2672 -30.1752 -36.3644 -231.481 198.113 -65.1788 148.794 -175.635 PRESSAVG: 3032800 12.8228 13.141 8.62542 13.141 42.1923 -2.67555 8.62539 -2.67555 -1.42292 GPRESSAVG: 3032800 13.8543 11.5335 10.3155 12.8742 41.1612 -4.37796 7.05676 -3.50674 -1.76554 TIMING: 3032800 CPU: 9473.98, 0.00314213/step Wall: 9473.98, 0.00314213/step, 1.717 hours remaining, 233.742188 MB of memory in use. ENERGY: 3032800 4014.3650 20594.0898 14421.3302 251.0714 -203001.2088 2377.4078 0.0000 0.0000 52164.0931 -109178.8515 299.7878 -161342.9446 -108825.9567 299.0990 -226.4374 -193.8769 762774.5784 17.8641 17.7500 PRESSURE: 3033000 -181.155 -167.601 69.5465 -167.601 482.995 -35.9527 69.5462 -35.9529 -167.695 GPRESSURE: 3033000 -189.643 -103.045 -28.4885 -249.117 471.498 -14.0497 117.344 -22.5149 -55.4962 PRESSAVG: 3033000 -45.9469 -15.8562 -65.946 -15.8561 44.5068 -9.97701 -65.946 -9.97698 -14.8875 GPRESSAVG: 3033000 -44.6252 -14.8356 -67.5029 -15.1525 44.301 -10.8969 -65.6319 -10.4468 -15.5172 TIMING: 3033000 CPU: 9474.61, 0.00313882/step Wall: 9474.61, 0.00313882/step, 1.71502 hours remaining, 233.742188 MB of memory in use. ENERGY: 3033000 4038.2381 20553.2485 14353.5906 260.2718 -203386.2107 2854.6817 0.0000 0.0000 52083.5578 -109242.6222 299.3249 -161326.1800 -108885.2429 299.2490 44.7151 75.4530 762871.4891 -5.4425 -5.2805 PRESSURE: 3033200 234.534 10.1596 27.891 10.1586 -45.5636 -102.108 27.8907 -102.108 -82.8727 GPRESSURE: 3033200 282.669 -84.707 38.3279 -19.9213 -29.6034 -94.5764 -36.8604 -182.028 -71.2324 PRESSAVG: 3033200 4.12342 -32.1177 -32.6165 -32.1177 3.74096 -10.2739 -32.6166 -10.274 10.0667 GPRESSAVG: 3033200 3.57566 -33.0493 -32.4194 -32.381 4.12304 -10.0357 -32.7768 -10.1123 9.99249 TIMING: 3033200 CPU: 9475.25, 0.00316786/step Wall: 9475.25, 0.00316786/step, 1.73071 hours remaining, 233.742188 MB of memory in use. ENERGY: 3033200 4049.9070 20682.4349 14403.8705 270.7463 -203238.6672 2767.4788 0.0000 0.0000 51705.8868 -109358.3429 297.1544 -161064.2297 -109017.7214 299.3178 35.3658 60.6110 762747.7352 5.9770 5.8971 PRESSURE: 3033400 241.413 -51.4438 45.1603 -51.4433 114.512 54.3102 45.1602 54.3097 314.293 GPRESSURE: 3033400 214.116 -21.2518 50.3836 89.9827 246.056 43.2846 59.4156 113.913 304.251 PRESSAVG: 3033400 25.7429 7.13724 -18.3145 7.13729 11.7188 -65.3421 -18.3145 -65.3421 3.32974 GPRESSAVG: 3033400 23.1455 7.41826 -19.6534 8.01412 12.4027 -64.781 -17.9921 -64.6913 4.60508 TIMING: 3033400 CPU: 9475.88, 0.00315283/step Wall: 9475.88, 0.00315283/step, 1.72232 hours remaining, 233.742188 MB of memory in use. ENERGY: 3033400 4010.9899 20453.9325 14417.2932 226.2289 -203821.6111 2988.2204 0.0000 0.0000 52086.2493 -109638.6969 299.3404 -161724.9462 -109284.8618 298.8237 223.4060 254.8077 762187.6817 13.5972 13.3844 PRESSURE: 3033600 45.26 -122.581 73.9275 -122.582 -176.124 9.69746 73.9267 9.6974 171.043 GPRESSURE: 3033600 130.511 -62.8993 7.53643 -55.7699 -196.116 -50.4167 -32.4312 -22.8166 205.005 PRESSAVG: 3033600 -7.16029 0.435128 -28.2072 0.43512 3.35423 -10.083 -28.2073 -10.083 -23.1069 GPRESSAVG: 3033600 -6.76344 0.6356 -27.6364 1.48 2.66337 -10.7549 -28.924 -8.54199 -22.7998 TIMING: 3033600 CPU: 9476.5, 0.00314422/step Wall: 9476.5, 0.00314422/step, 1.71744 hours remaining, 233.742188 MB of memory in use. ENERGY: 3033600 4005.0334 20660.2864 14366.3629 242.7982 -203270.5277 2602.8398 0.0000 0.0000 51698.4270 -109694.7799 297.1116 -161393.2068 -109329.7029 298.2725 13.3929 46.4669 761780.9528 -8.9710 -8.9666 PRESSURE: 3033800 39.36 -73.9255 85.3946 -73.9244 74.3362 104.214 85.3951 104.213 -32.0824 GPRESSURE: 3033800 19.3315 -145.659 104.658 -7.98439 87.782 59.8339 107.773 97.6113 59.357 PRESSAVG: 3033800 38.7742 -11.4304 -43.0686 -11.4304 -48.487 29.6954 -43.0685 29.6954 -12.8455 GPRESSAVG: 3033800 39.0407 -10.8267 -42.7615 -11.6925 -48.8836 30.0956 -43.3745 29.2824 -13.0609 TIMING: 3033800 CPU: 9477.13, 0.00315268/step Wall: 9477.13, 0.00315268/step, 1.72189 hours remaining, 233.742188 MB of memory in use. ENERGY: 3033800 3936.2988 20537.6402 14429.8850 274.7187 -203492.4858 2711.3985 0.0000 0.0000 52013.7199 -109588.8247 298.9236 -161602.5447 -109220.2270 298.3247 27.2046 55.4902 762999.4572 -7.5195 -7.6346 PRESSURE: 3034000 -159.041 8.26277 115.481 8.26303 112.771 22.0176 115.481 22.0174 394.317 GPRESSURE: 3034000 -44.9507 25.5985 142.194 60.4849 113.246 -40.5065 159.536 -70.3458 357.558 PRESSAVG: 3034000 4.80411 15.596 15.8436 15.596 -5.87634 9.58929 15.8436 9.5893 5.52097 GPRESSAVG: 3034000 6.17512 14.8163 16.9235 15.0143 -6.00985 10.5449 16.6048 7.5773 4.73942 TIMING: 3034000 CPU: 9477.77, 0.00316103/step Wall: 9477.77, 0.00316103/step, 1.72627 hours remaining, 233.742188 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: 3034000 4092.6800 20525.9455 14425.3112 237.3436 -203722.1046 3002.0263 0.0000 0.0000 51690.0864 -109748.7116 297.0636 -161438.7980 -109398.9595 298.7190 116.0158 141.9511 761931.2679 1.4829 1.6349 PRESSURE: 3034200 269.666 128.162 60.9515 128.163 100.462 128.117 60.9519 128.117 66.2689 GPRESSURE: 3034200 272.92 167.973 71.9544 20.1931 297.36 155.121 39.0801 174.987 -47.2422 PRESSAVG: 3034200 -60.6762 -3.49109 14.0361 -3.49104 80.712 21.1265 14.0361 21.1264 16.0241 GPRESSAVG: 3034200 -61.4132 -2.48859 12.615 -4.94786 81.5629 22.2608 13.8102 20.9891 15.6048 TIMING: 3034200 CPU: 9478.4, 0.00316564/step Wall: 9478.4, 0.00316564/step, 1.72861 hours remaining, 233.742188 MB of memory in use. ENERGY: 3034200 3963.3501 20509.9849 14459.2423 234.4824 -203689.6135 2982.9209 0.0000 0.0000 51957.0748 -109582.5582 298.5980 -161539.6330 -109225.8866 298.6348 145.4656 174.3460 762917.8873 12.0199 11.9182 PRESSURE: 3034400 -231.862 -35.4145 -127.127 -35.4149 -20.0312 45.9709 -127.128 45.9703 156.931 GPRESSURE: 3034400 -39.7918 -149.114 -106.37 -74.118 38.7123 21.8808 -92.3559 39.7482 3.57275 PRESSAVG: 3034400 -27.6842 55.5264 -14.3537 55.5265 49.103 -2.40387 -14.3536 -2.40383 6.8134 GPRESSAVG: 3034400 -27.1393 56.2522 -13.6446 57.1349 49.0971 -4.12131 -15.3256 -3.09636 6.02425 TIMING: 3034400 CPU: 9479.03, 0.00315097/step Wall: 9479.03, 0.00315097/step, 1.72043 hours remaining, 233.742188 MB of memory in use. ENERGY: 3034400 3989.0522 20481.9527 14414.0619 237.7910 -203110.2443 2498.0446 0.0000 0.0000 51939.8302 -109549.5116 298.4989 -161489.3418 -109183.3559 298.4014 -31.6541 0.8311 763570.9439 9.4107 9.3274 PRESSURE: 3034600 -147.423 141.483 -146.115 141.483 -27.7211 20.0241 -146.115 20.0237 165.628 GPRESSURE: 3034600 -102.157 158.303 -176.649 174.299 2.19561 18.562 -101.417 62.0405 182.953 PRESSAVG: 3034600 -27.761 31.6143 -29.3945 31.6143 33.5435 8.66727 -29.3946 8.66731 -12.7369 GPRESSAVG: 3034600 -29.2541 30.1618 -31.0407 31.8374 33.4082 9.51811 -26.7463 9.0322 -11.1452 TIMING: 3034600 CPU: 9479.66, 0.00315449/step Wall: 9479.66, 0.00315449/step, 1.72218 hours remaining, 233.742188 MB of memory in use. ENERGY: 3034600 3927.4863 20480.3624 14424.1975 252.9194 -203461.6221 2908.3439 0.0000 0.0000 52138.6866 -109329.6260 299.6417 -161468.3126 -108973.3060 299.1727 -3.1720 27.6639 762895.9010 -2.3181 -2.3304 PRESSURE: 3034800 31.9591 -97.3672 181.611 -97.3681 -182.968 -342.439 181.611 -342.438 -272.89 GPRESSURE: 3034800 -104.809 17.313 175.347 -185.874 3.03708 -292.973 55.2679 -262.237 -227.469 PRESSAVG: 3034800 -27.4511 -39.7905 -26.2392 -39.7905 -8.1767 7.40852 -26.2393 7.40856 0.359444 GPRESSAVG: 3034800 -26.7978 -37.7865 -25.4588 -40.9234 -9.19749 7.32091 -28.56 7.3439 0.524035 TIMING: 3034800 CPU: 9480.29, 0.00316623/step Wall: 9480.29, 0.00316623/step, 1.72841 hours remaining, 233.742188 MB of memory in use. ENERGY: 3034800 4063.6415 20585.9070 14418.3057 243.1654 -203540.1585 2725.2395 0.0000 0.0000 51991.4450 -109512.4545 298.7955 -161503.8995 -109161.4776 299.0492 -141.2998 -109.7471 763650.5829 -11.7561 -11.8237 PRESSURE: 3035000 -404.885 -431.623 149.867 -431.623 -57.6482 42.2966 149.867 42.296 396.915 GPRESSURE: 3035000 -330.778 -414.738 33.6733 -317.399 -24.8484 31.5238 121.572 41.9089 384.139 PRESSAVG: 3035000 -46.3676 -38.0487 20.0521 -38.0487 34.8375 -12.016 20.0521 -12.016 15.7389 GPRESSAVG: 3035000 -46.7351 -41.5798 18.3739 -35.5951 35.4515 -13.787 21.2983 -11.27 15.778 TIMING: 3035000 CPU: 9480.92, 0.0031342/step Wall: 9480.92, 0.0031342/step, 1.71075 hours remaining, 233.742188 MB of memory in use. ENERGY: 3035000 3987.1131 20449.6302 14455.6323 254.1639 -203400.1720 2777.6420 0.0000 0.0000 52236.1097 -109239.8809 300.2016 -161475.9906 -108876.5431 299.0523 -21.8728 9.5042 764940.5042 1.4030 1.4981 PRESSURE: 3035200 353.41 -108.109 -100.114 -108.11 241.241 130.567 -100.115 130.566 372.979 GPRESSURE: 3035200 332.981 -103.673 -138.093 -46.7802 324.917 78.344 -78.6441 113.479 366.777 PRESSAVG: 3035200 47.4444 -27.1186 61.1757 -27.1187 -13.81 -10.7842 61.1757 -10.7843 1.075 GPRESSAVG: 3035200 47.4895 -25.1198 63.1725 -29.1788 -13.3692 -11.0153 60.4256 -10.6841 0.191414 TIMING: 3035200 CPU: 9481.55, 0.00315408/step Wall: 9481.55, 0.00315408/step, 1.72143 hours remaining, 233.742188 MB of memory in use. ENERGY: 3035200 4089.0396 20701.1238 14417.4206 255.5261 -203618.0450 2993.7954 0.0000 0.0000 51886.3053 -109274.8342 298.1913 -161161.1395 -108916.9972 299.3779 322.5434 341.5583 763041.9436 11.5698 11.4372 PRESSURE: 3035400 30.6953 -72.9294 -108.623 -72.9299 43.0262 3.95398 -108.621 3.95364 454.554 GPRESSURE: 3035400 79.1546 -18.8211 -81.9734 16.6622 109.122 -119.721 37.0704 -44.8948 436.539 PRESSAVG: 3035400 -26.4502 0.106764 -12.3436 0.106769 32.4442 27.1736 -12.3435 27.1737 -20.4101 GPRESSAVG: 3035400 -26.409 -0.185559 -12.1721 -0.703912 33.2388 26.659 -14.6361 26.9906 -20.6528 TIMING: 3035400 CPU: 9482.18, 0.0031454/step Wall: 9482.18, 0.0031454/step, 1.71652 hours remaining, 233.742188 MB of memory in use. ENERGY: 3035400 3984.4880 20638.9732 14444.8919 250.2001 -203257.3560 2504.9312 0.0000 0.0000 52255.5065 -109178.3651 300.3131 -161433.8716 -108815.2780 299.3169 176.0920 208.2717 762366.0986 -4.8054 -4.6077 PRESSURE: 3035600 56.4182 51.3165 -224.441 51.3168 16.1323 183.994 -224.441 183.994 -61.9746 GPRESSURE: 3035600 62.2368 98.1177 -216.442 -25.5851 61.8349 204.286 -78.6854 179.318 -5.64067 PRESSAVG: 3035600 -18.0564 22.9297 -40.0617 22.9297 -19.038 -8.80633 -40.0617 -8.80639 2.71654 GPRESSAVG: 3035600 -17.5736 24.766 -40.9284 22.0012 -20.3952 -9.56645 -39.2291 -7.89267 3.77569 TIMING: 3035600 CPU: 9482.81, 0.00315649/step Wall: 9482.81, 0.00315649/step, 1.72239 hours remaining, 233.742188 MB of memory in use. ENERGY: 3035600 4033.6560 20713.5682 14423.6902 214.4513 -202980.9250 2501.7345 0.0000 0.0000 51933.9154 -109159.9095 298.4649 -161093.8249 -108793.2799 299.4389 3.5253 39.4770 763656.6123 -11.4593 -11.3977 PRESSURE: 3035800 -82.2046 198.753 -29.8502 198.752 -39.7736 -280.932 -29.85 -280.933 398.731 GPRESSURE: 3035800 -74.4022 148.048 -41.5054 200.999 14.6342 -312.881 85.469 -272.462 430.121 PRESSAVG: 3035800 -44.1254 27.6318 -57.1467 27.6317 37.1107 -37.6481 -57.1468 -37.6481 22.653 GPRESSAVG: 3035800 -44.9367 26.8324 -58.3997 30.4511 37.343 -35.3479 -54.5695 -38.9895 22.6637 TIMING: 3035800 CPU: 9483.44, 0.00313764/step Wall: 9483.44, 0.00313764/step, 1.71193 hours remaining, 233.742188 MB of memory in use. ENERGY: 3035800 3911.3459 20599.1191 14439.9254 252.6793 -202982.3374 2503.4262 0.0000 0.0000 51936.3733 -109339.4682 298.4791 -161275.8415 -108977.8090 299.2765 92.2510 123.4509 763589.4357 5.2128 5.0233 PRESSURE: 3036000 55.7084 -1.32851 13.187 -1.32957 -139.302 -121.017 13.1867 -121.019 238.188 GPRESSURE: 3036000 125.74 12.1133 -39.9717 -40.1222 -92.0329 -69.8979 18.5443 -79.4195 211.217 PRESSAVG: 3036000 24.2453 49.0089 -43.1627 49.0089 27.6308 -44.6549 -43.1628 -44.6549 -0.388341 GPRESSAVG: 3036000 23.3822 48.4571 -41.3263 48.714 27.9099 -44.5447 -44.9833 -43.979 0.266289 TIMING: 3036000 CPU: 9484.07, 0.00314775/step Wall: 9484.07, 0.00314775/step, 1.71727 hours remaining, 233.742188 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: 3036000 3892.3972 20499.0137 14466.4812 241.3609 -203429.1363 2816.1989 0.0000 0.0000 52171.9569 -109341.7275 299.8330 -161513.6844 -108971.9992 299.3533 51.5314 81.6412 761987.5506 17.1626 17.1861 PRESSURE: 3036200 -65.946 157.518 3.15592 157.517 91.9357 -152.679 3.15458 -152.678 -278.842 GPRESSURE: 3036200 22.5866 130.11 91.2047 108.509 23.1506 -105.335 22.0031 -87.2097 -201.714 PRESSAVG: 3036200 14.9085 24.1557 -41.6196 24.1557 -27.0095 -20.169 -41.6196 -20.169 -10.2957 GPRESSAVG: 3036200 15.9271 24.6593 -42.4854 24.8731 -26.9284 -20.804 -40.1724 -20.929 -11.2753 TIMING: 3036200 CPU: 9484.7, 0.00315366/step Wall: 9484.7, 0.00315366/step, 1.72032 hours remaining, 233.742188 MB of memory in use. ENERGY: 3036200 3981.9154 20725.2518 14382.1803 252.4355 -203424.1132 2780.4355 0.0000 0.0000 52038.6095 -109263.2852 299.0666 -161301.8947 -108906.6253 299.3082 -84.2840 -51.9924 761690.2444 -7.4656 -7.4255 LDB: ============= START OF LOAD BALANCING ============== 9497.18 LDB: ============== END OF LOAD BALANCING =============== 9497.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9497.18 LDB: ============= START OF LOAD BALANCING ============== 9497.5 LDB: Largest compute 7062 load 0.027647 is 14.2% of average load 0.195066 LDB: Average compute 0.004369 is 2.2% of average load 0.195066 LDB: TIME 9497.5 LOAD: AVG 0.195066 MAX 0.217621 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.742 MB LDB: TIME 9497.5 LOAD: AVG 0.195066 MAX 0.217621 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.742 MB LDB: TIME 9497.5 LOAD: AVG 0.195066 MAX 0.217621 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.742 MB LDB: ============== END OF LOAD BALANCING =============== 9497.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9497.51 PRESSURE: 3036400 58.2964 -0.588943 49.0188 -0.588185 231.375 -87.0819 49.0185 -87.0823 122.096 GPRESSURE: 3036400 188.951 -52.8321 58.1672 -114.468 194.671 -25.9472 102.974 -164.685 97.3939 PRESSAVG: 3036400 -36.0288 45.0344 -45.2312 45.0344 41.7737 0.962369 -45.2312 0.962302 24.1297 GPRESSAVG: 3036400 -35.5754 45.258 -43.2692 42.7928 41.1339 0.939418 -46.9916 1.20577 24.125 TIMING: 3036400 CPU: 9485.34, 0.0032175/step Wall: 9485.34, 0.0032175/step, 1.75497 hours remaining, 233.742188 MB of memory in use. ENERGY: 3036400 3975.5655 20497.4685 14367.0517 243.3464 -203399.3487 2972.4715 0.0000 0.0000 51853.1682 -109490.2769 298.0009 -161343.4451 -109125.8454 299.6388 137.2558 160.3386 762152.0110 9.9582 9.8945 PRESSURE: 3036600 82.383 -145.942 -104.929 -145.942 118.155 -31.9804 -104.93 -31.9818 -152.146 GPRESSURE: 3036600 189.16 -50.2992 -101.944 -91.928 103.953 35.9205 -161.598 -21.815 -163.693 PRESSAVG: 3036600 -6.20842 17.6418 37.8437 17.6418 26.5515 -1.45377 37.8437 -1.45371 2.86219 GPRESSAVG: 3036600 -7.0603 16.4821 35.6119 20.9552 27.3197 -1.03275 38.6507 -2.78169 3.80701 TIMING: 3036600 CPU: 9485.97, 0.00315348/step Wall: 9485.97, 0.00315348/step, 1.71987 hours remaining, 233.742188 MB of memory in use. ENERGY: 3036600 4037.3399 20539.1338 14406.7448 250.4820 -203582.1580 3007.7225 0.0000 0.0000 51994.1780 -109346.5569 298.8113 -161340.7350 -108993.1463 298.9623 16.1307 43.1398 764683.9412 7.7351 8.0221 PRESSURE: 3036800 -51.73 173.298 -39.2913 173.298 -435.382 -173.685 -39.2904 -173.683 -117.425 GPRESSURE: 3036800 -75.3676 286.338 -80.72 30.8711 -262.694 -215.523 29.4002 -177.288 -173.595 PRESSAVG: 3036800 -21.7397 -5.97217 -4.78878 -5.97216 15.3945 -15.2192 -4.78877 -15.2192 6.15159 GPRESSAVG: 3036800 -21.9009 -5.81947 -1.75445 -7.84407 16.1526 -16.468 -6.02074 -14.9745 5.26936 TIMING: 3036800 CPU: 9486.6, 0.00313688/step Wall: 9486.6, 0.00313689/step, 1.71065 hours remaining, 233.742188 MB of memory in use. ENERGY: 3036800 3973.0729 20563.8401 14398.7269 243.6321 -203257.9407 2694.0440 0.0000 0.0000 51957.6927 -109426.9320 298.6016 -161384.6247 -109072.9109 299.1162 -201.5124 -170.5525 763958.4627 -0.0646 -0.1597 PRESSURE: 3037000 47.0648 277.261 133.667 277.261 -126.015 -189.866 133.666 -189.866 63.7435 GPRESSURE: 3037000 60.1816 169.905 25.2525 148.423 -42.6483 -180.587 97.5865 -136.664 58.3323 PRESSAVG: 3037000 -3.85921 -15.6586 -1.27641 -15.6586 3.56299 -22.5386 -1.27639 -22.5386 -22.0916 GPRESSAVG: 3037000 -2.73853 -13.585 -3.44834 -15.695 3.1723 -23.7524 -1.6175 -21.6851 -22.9125 TIMING: 3037000 CPU: 9487.23, 0.00314592/step Wall: 9487.23, 0.00314592/step, 1.7154 hours remaining, 233.742188 MB of memory in use. ENERGY: 3037000 4006.3729 20377.8430 14426.7342 233.1081 -203357.5401 2877.3296 0.0000 0.0000 52133.3413 -109302.8111 299.6110 -161436.1523 -108934.2730 299.5817 -5.0690 25.2885 761274.6919 -7.4626 -7.4929 PRESSURE: 3037200 -185.812 -90.1974 46.3794 -90.1971 -18.5809 258.313 46.3794 258.313 168.605 GPRESSURE: 3037200 -44.0355 -29.2492 122.224 -88.7823 -34.4103 222.54 108.692 295.054 130.93 PRESSAVG: 3037200 -5.57233 -7.649 51.9288 -7.64904 -27.312 47.2848 51.9288 47.2848 14.2093 GPRESSAVG: 3037200 -5.65792 -6.45708 52.9227 -10.2914 -27.8137 49.402 52.2051 47.1105 14.9016 TIMING: 3037200 CPU: 9487.86, 0.00314419/step Wall: 9487.86, 0.00314419/step, 1.71428 hours remaining, 233.742188 MB of memory in use. ENERGY: 3037200 3980.5467 20633.5809 14404.7311 228.2909 -203123.8273 2688.7432 0.0000 0.0000 51871.7313 -109316.2032 298.1076 -161187.9345 -108956.8949 299.6507 -11.9291 17.4948 763769.6103 -6.2250 -6.1900 PRESSURE: 3037400 -21.4504 -75.8915 79.2038 -75.8918 -135.514 98.5729 79.2038 98.5724 191.203 GPRESSURE: 3037400 -25.3922 51.7255 154.093 -103.216 -47.9421 143.273 65.0329 21.7092 198.218 PRESSAVG: 3037400 36.3219 -15.2004 -4.70559 -15.2004 -30.2413 -6.35824 -4.70565 -6.35826 16.5356 GPRESSAVG: 3037400 32.6747 -17.4216 -4.44678 -13.3938 -28.1878 -6.37522 -4.6532 -6.01483 17.994 TIMING: 3037400 CPU: 9488.49, 0.00316983/step Wall: 9488.49, 0.00316983/step, 1.72809 hours remaining, 233.742188 MB of memory in use. ENERGY: 3037400 3941.1599 20443.1981 14466.5997 247.2406 -203170.3483 2718.2326 0.0000 0.0000 52212.0310 -109141.8864 300.0633 -161353.9174 -108785.3097 299.2556 11.4129 41.6278 760097.1357 7.5388 7.4936 PRESSURE: 3037600 -134.67 -27.9146 -10.3996 -27.9146 -113.567 116.174 -10.4 116.173 -56.7468 GPRESSURE: 3037600 -60.2258 12.5823 29.8475 44.4454 -99.1686 74.594 141.45 6.70931 -46.2548 PRESSAVG: 3037600 -19.6395 -12.7314 -12.1612 -12.7314 -19.5774 1.50808 -12.1612 1.50812 -9.57562 GPRESSAVG: 3037600 -16.6025 -14.9625 -12.6031 -10.394 -21.387 0.489844 -13.034 0.120532 -11.3354 TIMING: 3037600 CPU: 9489.13, 0.00315999/step Wall: 9489.13, 0.00315999/step, 1.72254 hours remaining, 233.742188 MB of memory in use. ENERGY: 3037600 3882.7337 20405.1159 14411.1298 238.9627 -202536.3504 2336.3690 0.0000 0.0000 52343.3981 -108918.6412 300.8182 -161262.0393 -108555.7066 299.2914 -101.6613 -68.5497 762405.1524 -16.2642 -16.4416 PRESSURE: 3037800 -192.832 -41.5189 -51.5912 -41.5193 10.0752 -45.4993 -51.5917 -45.4992 111.379 GPRESSURE: 3037800 -163.374 -75.7548 -62.0305 -15.6947 10.7828 -83.5287 59.0671 60.732 179.946 PRESSAVG: 3037800 -10.6459 6.91631 -11.778 6.91625 -13.3067 1.66295 -11.778 1.66288 17.7385 GPRESSAVG: 3037800 -11.5531 8.56432 -12.0833 4.24339 -13.0736 2.23659 -10.8388 1.92095 18.7583 TIMING: 3037800 CPU: 9489.76, 0.00315874/step Wall: 9489.76, 0.00315874/step, 1.72169 hours remaining, 233.742188 MB of memory in use. ENERGY: 3037800 3901.7001 20509.2638 14416.1855 267.7683 -202772.3414 2486.4176 0.0000 0.0000 52347.7094 -108843.2966 300.8430 -161191.0060 -108478.3212 300.3465 -23.7926 9.1182 762894.8026 -2.0714 -1.9561 PRESSURE: 3038000 186.644 -8.04106 -101.33 -8.0406 -112.052 11.1912 -101.329 11.1917 -323.473 GPRESSURE: 3038000 258.625 -9.61091 -16.6833 54.0704 -74.3802 79.199 -87.9577 58.726 -334.077 PRESSAVG: 3038000 43.6571 -11.3696 2.48569 -11.3696 -9.81066 -2.61249 2.48573 -2.61244 10.8679 GPRESSAVG: 3038000 43.914 -11.7101 1.19424 -9.72413 -9.46079 -1.45157 3.39973 -2.88316 10.0461 TIMING: 3038000 CPU: 9490.39, 0.00315954/step Wall: 9490.39, 0.00315954/step, 1.72195 hours remaining, 233.742188 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: 3038000 3991.0212 20468.5870 14399.5272 253.1031 -202937.0899 2714.7540 0.0000 0.0000 52334.3780 -108775.7193 300.7664 -161110.0974 -108398.9149 300.2282 -82.9606 -49.9441 763322.9379 14.9048 14.8331 PRESSURE: 3038200 54.4551 65.8121 47.0546 65.8111 20.7709 -23.6052 47.0544 -23.6044 -116.446 GPRESSURE: 3038200 -18.1762 29.0424 10.4937 -21.0748 92.3014 2.86398 69.0105 -65.1046 -34.083 PRESSAVG: 3038200 75.8542 8.21335 -0.232565 8.21337 -47.7056 -46.6101 -0.23258 -46.61 -9.0431 GPRESSAVG: 3038200 76.0324 8.2933 0.0726646 6.41147 -48.5687 -47.5495 -0.91268 -45.7854 -8.50408 TIMING: 3038200 CPU: 9491.02, 0.00314575/step Wall: 9491.02, 0.00314575/step, 1.71426 hours remaining, 233.742188 MB of memory in use. ENERGY: 3038200 3892.6366 20681.3220 14430.4851 245.9947 -202881.1560 2651.1519 0.0000 0.0000 52285.0433 -108694.5223 300.4829 -160979.5656 -108334.8023 300.4827 -13.7401 13.3474 763101.5969 6.3685 6.3199 PRESSURE: 3038400 -99.1967 56.7909 154.759 56.7897 92.4449 -268.691 154.76 -268.691 427.29 GPRESSURE: 3038400 65.0277 30.6336 130.626 37.6298 8.68987 -292.956 20.9217 -293.357 458.812 PRESSAVG: 3038400 47.7049 19.8366 -29.8761 19.8367 -14.5768 -22.3312 -29.8761 -22.3311 20.8482 GPRESSAVG: 3038400 47.7976 20.3942 -28.5368 21.0302 -14.811 -22.1277 -31.2644 -22.2594 21.4709 TIMING: 3038400 CPU: 9491.65, 0.0031409/step Wall: 9491.65, 0.0031409/step, 1.71144 hours remaining, 233.742188 MB of memory in use. ENERGY: 3038400 4034.7242 20530.8659 14388.2330 247.4778 -203221.9178 2765.6240 0.0000 0.0000 52424.0028 -108830.9901 301.2815 -161254.9929 -108466.0369 300.5442 140.1795 177.5100 761989.1078 17.9921 18.1525 PRESSURE: 3038600 -181.57 -47.4791 193.818 -47.4801 243.53 12.7016 193.817 12.702 -60.2978 GPRESSURE: 3038600 -147.758 36.2486 111.388 23.3461 304.718 46.1169 178.48 84.1677 -60.1239 PRESSAVG: 3038600 17.2043 -0.0820817 -8.52887 -0.0820346 -22.1715 -2.49087 -8.52885 -2.49094 -9.96732 GPRESSAVG: 3038600 18.3576 -0.906211 -8.92241 1.21804 -22.5818 -1.57434 -8.07354 -1.70689 -10.4068 TIMING: 3038600 CPU: 9492.27, 0.00313888/step Wall: 9492.27, 0.00313888/step, 1.71017 hours remaining, 233.742188 MB of memory in use. ENERGY: 3038600 3975.7397 20590.0620 14458.3189 243.1972 -202845.8515 2511.2323 0.0000 0.0000 52212.5011 -108854.8003 300.0660 -161067.3013 -108493.1762 300.2786 0.5539 32.2789 761275.5035 -4.9782 -4.8770 PRESSURE: 3038800 -121.589 -195.036 -112.728 -195.036 -248.295 -85.6077 -112.728 -85.6082 -368.339 GPRESSURE: 3038800 -27.8415 -129.175 -38.0755 -152.299 -164.338 3.72837 -73.8264 -177.63 -438.905 PRESSAVG: 3038800 50.5955 8.52997 -45.0974 8.52992 -18.2457 -43.9328 -45.0974 -43.9327 -20.9578 GPRESSAVG: 3038800 49.101 6.52579 -45.1764 7.97187 -17.4573 -43.8186 -44.2638 -47.4332 -21.3051 TIMING: 3038800 CPU: 9492.91, 0.00315164/step Wall: 9492.91, 0.00315164/step, 1.71694 hours remaining, 233.742188 MB of memory in use. ENERGY: 3038800 3967.1207 20387.8548 14333.7564 248.6930 -202724.6751 2435.5784 0.0000 0.0000 52119.3483 -109232.3235 299.5306 -161351.6718 -108855.2776 299.5667 -246.0743 -210.3612 762229.5387 3.7973 3.4462 PRESSURE: 3039000 -96.3621 -13.8655 -156.616 -13.8657 100.571 69.4366 -156.615 69.4367 -39.6289 GPRESSURE: 3039000 -67.9687 48.3078 -166.863 -0.423831 125.659 104.324 -196.349 95.2653 -31.4983 PRESSAVG: 3039000 23.0315 35.6686 -22.3248 35.6687 -31.1856 -13.6983 -22.3249 -13.6983 -7.84618 GPRESSAVG: 3039000 23.8037 35.3585 -22 36.8409 -31.1071 -13.7762 -20.5366 -11.4207 -8.23675 TIMING: 3039000 CPU: 9493.54, 0.00315001/step Wall: 9493.54, 0.00315001/step, 1.71588 hours remaining, 233.742188 MB of memory in use. ENERGY: 3039000 3967.2248 20558.1040 14396.9559 236.6448 -203186.8221 2678.4126 0.0000 0.0000 52276.5801 -109072.8998 300.4342 -161349.4799 -108703.7203 299.3735 -11.8067 8.7306 762565.7504 -5.3335 -5.1800 PRESSURE: 3039200 252.741 -113.743 260.26 -113.742 277.743 -180.702 260.26 -180.702 288.196 GPRESSURE: 3039200 293.046 -192.348 275.317 -87.5121 334.284 -172.186 284.203 -204.026 271.768 PRESSAVG: 3039200 2.70542 26.7981 -2.5632 26.7981 -40.5783 37.6221 -2.56325 37.622 21.6109 GPRESSAVG: 3039200 1.77019 28.1239 -0.350976 24.7729 -40.0964 37.5227 -4.16377 39.1864 22.245 TIMING: 3039200 CPU: 9494.16, 0.00314785/step Wall: 9494.16, 0.00314786/step, 1.71453 hours remaining, 233.742188 MB of memory in use. ENERGY: 3039200 3978.2492 20485.0767 14418.9286 233.4049 -203256.6960 2842.6418 0.0000 0.0000 52202.7528 -109095.6420 300.0099 -161298.3947 -108743.4635 299.9347 272.8933 299.6992 761457.1560 -5.4207 -5.3604 PRESSURE: 3039400 -224.685 -18.6817 -9.25607 -18.6826 -123.168 269.21 -9.25561 269.209 -125.965 GPRESSURE: 3039400 -142.924 -170.22 9.95929 -6.72812 -135.119 224.351 -45.7878 218.448 -108.386 PRESSAVG: 3039400 55.5065 8.51867 35.7325 8.5187 -43.3892 -8.60796 35.7326 -8.60801 -2.98098 GPRESSAVG: 3039400 55.2364 6.69947 33.6711 9.70499 -44.0649 -11.0929 35.3524 -8.27317 -2.79549 TIMING: 3039400 CPU: 9494.8, 0.0031722/step Wall: 9494.8, 0.0031722/step, 1.72762 hours remaining, 233.742188 MB of memory in use. ENERGY: 3039400 3981.8958 20503.7638 14491.3401 242.2655 -203050.3643 2714.4516 0.0000 0.0000 52003.2379 -109113.4096 298.8633 -161116.6475 -108750.2715 300.0315 -157.9393 -128.8098 763344.0913 3.0454 2.7920 PRESSURE: 3039600 -241.846 -105.077 -302.156 -105.077 128.146 -54.9744 -302.156 -54.9738 378.246 GPRESSURE: 3039600 -156.107 -145.598 -209.223 -28.6329 131.429 -39.2151 -240.043 -127.524 380.875 PRESSAVG: 3039600 -21.2876 49.9037 38.6044 49.9037 -29.284 -7.82582 38.6044 -7.82579 -6.28611 GPRESSAVG: 3039600 -20.6322 51.8136 39.2056 48.2086 -30.2011 -5.12081 38.9007 -10.2815 -5.66084 TIMING: 3039600 CPU: 9495.43, 0.00315185/step Wall: 9495.43, 0.00315185/step, 1.71636 hours remaining, 233.742188 MB of memory in use. ENERGY: 3039600 3955.6696 20466.5548 14388.9572 248.8667 -203009.7133 2778.5718 0.0000 0.0000 51798.0487 -109373.0443 297.6841 -161171.0931 -109017.2136 299.6725 88.1821 118.7323 763820.5406 -18.9526 -18.8314 PRESSURE: 3039800 282.243 67.7199 -92.8899 67.7197 314.2 -167.498 -92.8895 -167.498 295.375 GPRESSURE: 3039800 340.445 34.7745 -118.086 111.592 251.462 -230.339 -116.119 -140.78 380.568 PRESSAVG: 3039800 -32.7823 40.3525 -55.4204 40.3525 -0.504846 -45.0866 -55.4204 -45.0866 8.2618 GPRESSAVG: 3039800 -33.5836 39.0958 -57.109 41.3126 0.194219 -46.2603 -54.5102 -42.1471 8.18157 TIMING: 3039800 CPU: 9496.06, 0.00315086/step Wall: 9496.06, 0.00315086/step, 1.71564 hours remaining, 233.742188 MB of memory in use. ENERGY: 3039800 3934.4196 20334.1753 14356.1527 239.7476 -203156.6971 2737.3820 0.0000 0.0000 52291.3217 -109263.4982 300.5189 -161554.8199 -108891.1927 299.2487 297.2728 324.1582 762346.0997 -8.3418 -8.4026 PRESSURE: 3040000 232.238 67.3608 146.625 67.3607 50.412 -30.8467 146.624 -30.8459 -98.5243 GPRESSURE: 3040000 248.312 -142.397 86.7213 131.702 180.053 18.4363 -14.3633 -85.8199 -171.342 PRESSAVG: 3040000 -27.3746 61.1701 -28.1799 61.17 29.268 -18.0498 -28.1799 -18.0498 -16.814 GPRESSAVG: 3040000 -26.61 62.031 -27.396 59.2541 28.8759 -18.1799 -29.1167 -18.3606 -16.8381 TIMING: 3040000 CPU: 9496.69, 0.00316738/step Wall: 9496.69, 0.00316738/step, 1.72446 hours remaining, 233.742188 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: 3040000 3962.6103 20596.5652 14338.8052 254.1951 -203601.9941 3046.3076 0.0000 0.0000 52075.0596 -109328.4511 299.2761 -161403.5107 -108965.6716 299.5106 61.3751 85.6743 762561.9099 -4.9735 -4.8574 PRESSURE: 3040200 -217.504 -4.33806 237.355 -4.33832 123.742 100.745 237.354 100.744 214.584 GPRESSURE: 3040200 -177.69 -56.7581 266.836 24.6304 134.87 145.563 135.114 81.9076 248.26 PRESSAVG: 3040200 33.5999 12.8784 -6.13421 12.8784 -2.5971 -67.5543 -6.13426 -67.5543 -15.7172 GPRESSAVG: 3040200 32.7599 11.8009 -3.95012 15.1495 -1.35463 -66.395 -7.16284 -68.7017 -15.8548 TIMING: 3040200 CPU: 9497.32, 0.00315189/step Wall: 9497.32, 0.00315189/step, 1.71586 hours remaining, 233.742188 MB of memory in use. ENERGY: 3040200 3982.6294 20690.0666 14354.4591 240.0972 -203701.8837 3151.9354 0.0000 0.0000 51904.3456 -109378.3503 298.2950 -161282.6959 -109014.0167 299.0288 40.2741 68.4799 761617.3639 5.0952 5.1835 LDB: ============= START OF LOAD BALANCING ============== 9509.8 LDB: ============== END OF LOAD BALANCING =============== 9509.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9509.8 LDB: ============= START OF LOAD BALANCING ============== 9510.12 LDB: Largest compute 7007 load 0.029303 is 15.0% of average load 0.195200 LDB: Average compute 0.004374 is 2.2% of average load 0.195200 LDB: TIME 9510.12 LOAD: AVG 0.1952 MAX 0.215037 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.512 MB LDB: TIME 9510.12 LOAD: AVG 0.1952 MAX 0.215037 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.551 MB LDB: TIME 9510.12 LOAD: AVG 0.1952 MAX 0.215037 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.551 MB LDB: ============== END OF LOAD BALANCING =============== 9510.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9510.13 PRESSURE: 3040400 322.186 10.4578 35.743 10.4586 116.528 91.4158 35.7434 91.4162 401.408 GPRESSURE: 3040400 304.915 -36.7328 13.9247 31.1393 191.907 26.9496 18.0849 150.169 428.729 PRESSAVG: 3040400 31.8595 -0.818979 -35.308 -0.818976 -7.96469 -46.9065 -35.3081 -46.9066 7.18556 GPRESSAVG: 3040400 31.364 -0.936568 -38.4732 -2.61564 -7.81215 -48.9357 -32.0275 -44.4865 7.83427 TIMING: 3040400 CPU: 9497.96, 0.00318875/step Wall: 9497.96, 0.00318875/step, 1.73574 hours remaining, 234.570312 MB of memory in use. ENERGY: 3040400 3948.2556 20405.7092 14422.4448 240.1099 -203686.0414 3061.7324 0.0000 0.0000 52248.4728 -109359.3166 300.2727 -161607.7894 -109000.2228 298.8416 280.0406 308.5172 762119.1282 10.3601 10.4621 PRESSURE: 3040600 -111.444 237.223 248.663 237.222 -85.5572 -165.505 248.664 -165.504 79.1168 GPRESSURE: 3040600 25.3563 168.231 164.965 350.591 -82.0556 -128.685 216.118 -161.505 41.6653 PRESSAVG: 3040600 -30.127 39.1908 -2.67963 39.1908 12.0484 45.1044 -2.67963 45.1045 9.70896 GPRESSAVG: 3040600 -29.1848 41.5854 -3.62336 39.3773 12.0726 46.9405 -3.38826 41.6476 8.47315 TIMING: 3040600 CPU: 9498.59, 0.00311889/step Wall: 9498.59, 0.00311889/step, 1.69754 hours remaining, 234.570312 MB of memory in use. ENERGY: 3040600 4011.2557 20473.0076 14374.0111 241.6074 -203189.7746 2746.9234 0.0000 0.0000 51991.7444 -109351.2249 298.7973 -161342.9694 -108995.3229 299.9320 -39.2949 -5.0113 761361.5623 -2.7899 -2.8797 PRESSURE: 3040800 -154.251 -187.55 -124.162 -187.55 -12.6444 67.9283 -124.163 67.928 -103.164 GPRESSURE: 3040800 -200.417 -107.34 -61.2078 -64.3751 12.1714 100.154 -16.6892 -137.239 -3.96543 PRESSAVG: 3040800 6.75554 17.0473 -30.8254 17.0473 -8.12647 -39.7953 -30.8254 -39.7953 1.50813 GPRESSAVG: 3040800 6.28096 16.9074 -28.8132 17.1641 -8.28706 -39.2052 -31.7505 -38.4831 2.0408 TIMING: 3040800 CPU: 9499.21, 0.00314443/step Wall: 9499.21, 0.00314443/step, 1.71127 hours remaining, 234.570312 MB of memory in use. ENERGY: 3040800 4032.4195 20637.7720 14383.9312 238.6818 -203170.7777 2523.5314 0.0000 0.0000 52071.0196 -109283.4224 299.2529 -161354.4419 -108922.0689 299.7326 -90.0199 -64.0703 760760.4271 0.0457 0.0116 PRESSURE: 3041000 -229.904 75.3656 66.015 75.3663 -16.369 115.572 66.0149 115.573 77.1202 GPRESSURE: 3041000 -240.34 123.013 63.6873 39.7978 41.8081 154.988 74.8256 7.33384 82.3483 PRESSAVG: 3041000 35.5639 10.6403 -20.0013 10.6404 -38.8358 -28.1471 -20.0012 -28.1471 6.59757 GPRESSAVG: 3041000 34.8797 13.7746 -20.9161 10.2493 -39.1491 -29.7331 -21.2586 -27.3244 6.94196 TIMING: 3041000 CPU: 9499.84, 0.00313948/step Wall: 9499.84, 0.00313948/step, 1.7084 hours remaining, 234.570312 MB of memory in use. ENERGY: 3041000 3965.2199 20589.6769 14420.9404 232.5382 -203323.3583 2598.1783 0.0000 0.0000 51998.5419 -109518.2627 298.8363 -161516.8046 -109154.4111 299.4577 -56.3841 -38.7280 761960.3925 1.1085 0.8908 PRESSURE: 3041200 47.4157 -7.68075 -41.6284 -7.68066 329.118 -225.398 -41.6281 -225.398 216.597 GPRESSURE: 3041200 73.5538 -156.269 -49.7926 123.818 420.868 -209.111 -112.416 -282.888 182.825 PRESSAVG: 3041200 -40.3682 14.1165 -10.5255 14.1165 42.4066 -40.9015 -10.5255 -40.9015 24.4044 GPRESSAVG: 3041200 -40.607 10.7152 -8.61053 13.8776 43.4596 -41.0965 -9.92541 -42.6848 23.3984 TIMING: 3041200 CPU: 9500.47, 0.00313829/step Wall: 9500.47, 0.00313829/step, 1.70758 hours remaining, 234.570312 MB of memory in use. ENERGY: 3041200 3952.0028 20591.3170 14463.6925 222.3930 -203716.2045 2954.1327 0.0000 0.0000 52136.5590 -109396.1076 299.6295 -161532.6666 -109038.4279 299.6229 197.7105 225.7489 760519.9082 8.8143 8.7503 PRESSURE: 3041400 -261.916 -26.772 -120.355 -26.7718 299.627 130.101 -120.355 130.101 86.852 GPRESSURE: 3041400 -236.44 -96.6376 -59.9938 -68.4046 355.641 170.466 -31.0901 178.382 107.129 PRESSAVG: 3041400 -41.8001 -13.2412 -33.0501 -13.2413 38.3954 -35.1504 -33.0502 -35.1504 21.5853 GPRESSAVG: 3041400 -41.4282 -13.6594 -34.1851 -13.5991 37.3142 -33.907 -31.311 -32.8883 22.6362 TIMING: 3041400 CPU: 9501.1, 0.00314501/step Wall: 9501.1, 0.00314501/step, 1.71106 hours remaining, 234.570312 MB of memory in use. ENERGY: 3041400 3921.5824 20516.9180 14511.3556 226.7433 -203257.7728 2582.4886 0.0000 0.0000 52033.5109 -109465.1740 299.0373 -161498.6849 -109096.2400 299.6349 41.5209 75.4432 761742.8675 6.0602 6.1741 PRESSURE: 3041600 -571.505 -48.3179 -17.2531 -48.3174 48.2846 -235.86 -17.2541 -235.861 125.663 GPRESSURE: 3041600 -449.875 -96.4312 25.873 -80.3936 21.5367 -210.75 -113.926 -180.308 139.433 PRESSAVG: 3041600 -12.9973 15.2956 -46.2668 15.2956 33.5413 9.06619 -46.2669 9.06619 -6.07838 GPRESSAVG: 3041600 -12.2274 13.7817 -46.9208 16.6044 33.1805 7.12105 -46.1942 9.51013 -6.36095 TIMING: 3041600 CPU: 9501.73, 0.00314688/step Wall: 9501.73, 0.00314688/step, 1.7119 hours remaining, 234.570312 MB of memory in use. ENERGY: 3041600 4008.2687 20571.4709 14408.5021 247.0784 -203003.3333 2706.6235 0.0000 0.0000 51772.9144 -109288.4754 297.5397 -161061.3898 -108930.2703 298.9648 -132.5190 -96.3017 762208.3038 4.8219 4.8640 PRESSURE: 3041800 -168.088 -93.4963 -120.869 -93.4966 -206.238 -63.3327 -120.869 -63.3322 201.527 GPRESSURE: 3041800 -165.252 -25.4525 -118.794 -64.1691 -130.152 21.4615 -137.789 -2.47699 218.79 PRESSAVG: 3041800 -57.9646 36.2844 -48.218 36.2845 56.6613 3.30007 -48.218 3.30002 -18.2081 GPRESSAVG: 3041800 -58.3285 39.1447 -46.3135 34.624 56.4383 5.31343 -49.8278 1.44809 -18.224 TIMING: 3041800 CPU: 9502.36, 0.00314115/step Wall: 9502.36, 0.00314115/step, 1.70861 hours remaining, 234.570312 MB of memory in use. ENERGY: 3041800 3909.7807 20539.0649 14440.4310 250.5675 -203239.0464 2608.8558 0.0000 0.0000 51932.9306 -109557.4160 298.4593 -161490.3466 -109197.1748 299.3627 -57.5997 -25.5378 762944.0411 -6.5038 -6.7048 PRESSURE: 3042000 -105.82 -112.506 -226.614 -112.505 -192.504 111.882 -226.614 111.881 -223.682 GPRESSURE: 3042000 -51.2454 -153.241 -181.935 -191.409 -187.711 -7.20097 -227.983 122.95 -188.117 PRESSAVG: 3042000 33.2784 8.44302 -49.8607 8.44302 11.2348 12.7388 -49.8608 12.7387 2.47564 GPRESSAVG: 3042000 33.2879 5.82397 -50.2394 8.64789 11.572 11.4249 -50.2457 13.8679 2.10739 TIMING: 3042000 CPU: 9502.99, 0.00314874/step Wall: 9502.99, 0.00314874/step, 1.71257 hours remaining, 234.570312 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: 3042000 4017.7821 20606.3148 14434.0241 235.0525 -203470.3464 2614.9255 0.0000 0.0000 52234.2532 -109327.9942 300.1910 -161562.2474 -108972.1196 299.4782 -174.0020 -142.3576 761847.6050 15.6629 15.6557 PRESSURE: 3042200 11.7815 -20.4407 -121.918 -20.4407 -33.6301 159.145 -121.918 159.145 89.9091 GPRESSURE: 3042200 41.7016 -149.532 -45.3027 -91.1132 -59.7482 164.017 -67.1584 176.427 180.329 PRESSAVG: 3042200 -2.4885 39.7487 -26.7528 39.7487 -29.1687 -0.794392 -26.7527 -0.794456 3.22537 GPRESSAVG: 3042200 -4.63325 41.2064 -27.3934 40.1529 -28.8247 0.409028 -26.9125 -1.33821 4.9754 TIMING: 3042200 CPU: 9503.62, 0.00315196/step Wall: 9503.62, 0.00315196/step, 1.71414 hours remaining, 234.570312 MB of memory in use. ENERGY: 3042200 3944.8430 20600.2875 14423.9229 241.2802 -203082.4738 2585.2020 0.0000 0.0000 51942.9239 -109344.0143 298.5167 -161286.9381 -108980.5590 299.2821 22.6868 54.0941 762132.9957 -9.4773 -9.4942 PRESSURE: 3042400 -25.4731 19.2566 -47.6404 19.2562 -128.175 -87.1267 -47.6399 -87.1259 -169.779 GPRESSURE: 3042400 -53.9998 60.5162 -41.3193 85.6927 -82.0647 -81.4919 -146.701 -159.603 -114.763 PRESSAVG: 3042400 -22.1631 10.9955 -19.705 10.9955 -31.5536 -22.2282 -19.705 -22.2282 17.1225 GPRESSAVG: 3042400 -21.1021 11.5767 -19.4059 12.9475 -30.5633 -19.7695 -20.1178 -22.856 15.7814 TIMING: 3042400 CPU: 9504.24, 0.00314061/step Wall: 9504.24, 0.00314061/step, 1.70779 hours remaining, 234.570312 MB of memory in use. ENERGY: 3042400 3932.7935 20562.9039 14424.1191 237.3943 -203321.7228 2809.3254 0.0000 0.0000 52090.5625 -109264.6241 299.3652 -161355.1866 -108895.3097 299.5249 -107.8088 -83.6090 762589.9734 -12.1980 -11.9613 PRESSURE: 3042600 -153.361 67.1444 107.606 67.1436 15.0815 29.9089 107.605 29.9091 -352.062 GPRESSURE: 3042600 -132.984 58.8547 83.7082 50.6315 49.6952 -53.559 75.3251 -35.3154 -320.237 PRESSAVG: 3042600 4.59446 27.5283 13.8439 27.5283 -13.0059 -75.0411 13.844 -75.0411 -11.8402 GPRESSAVG: 3042600 6.34515 27.486 13.3495 27.6482 -14.2819 -77.0647 13.4577 -74.8724 -12.6568 TIMING: 3042600 CPU: 9504.87, 0.00312658/step Wall: 9504.87, 0.00312658/step, 1.69999 hours remaining, 234.570312 MB of memory in use. ENERGY: 3042600 3994.9805 20612.1522 14526.6694 246.7064 -203251.7668 2672.8536 0.0000 0.0000 51986.7702 -109211.6345 298.7687 -161198.4047 -108849.9974 299.6035 -163.4469 -134.5087 764247.7021 -6.7505 -6.8645 PRESSURE: 3042800 94.2356 -73.6325 120.891 -73.6323 -34.6964 41.4817 120.891 41.4819 276.405 GPRESSURE: 3042800 45.9597 45.968 110.655 -163.972 128.963 43.4869 -70.8435 10.4914 257.973 PRESSAVG: 3042800 -44.7776 40.1354 35.6134 40.1354 19.046 -81.6402 35.6134 -81.6403 8.37474 GPRESSAVG: 3042800 -45.0672 38.3818 33.8217 40.1735 19.5404 -82.18 36.9113 -82.0029 8.30159 TIMING: 3042800 CPU: 9505.5, 0.00314028/step Wall: 9505.5, 0.00314028/step, 1.70727 hours remaining, 234.570312 MB of memory in use. ENERGY: 3042800 3881.3334 20382.9877 14493.2572 252.2614 -203230.8054 2839.5268 0.0000 0.0000 51918.9275 -109462.5114 298.3788 -161381.4389 -109106.3801 298.9680 111.9812 144.2983 762516.6110 -5.7856 -5.7417 PRESSURE: 3043000 112.183 -123.416 13.908 -123.416 -59.7994 223.352 13.9081 223.352 410.028 GPRESSURE: 3043000 149.281 -124.599 135.111 -242.342 -44.3407 118.219 -78.1057 191.126 416.877 PRESSAVG: 3043000 10.848 -21.9957 47.9619 -21.9957 22.8714 -25.3799 47.9619 -25.3799 -20.3054 GPRESSAVG: 3043000 10.5587 -22.619 50.7829 -22.7089 22.0895 -25.5824 45.8679 -25.7661 -19.3923 TIMING: 3043000 CPU: 9506.13, 0.00313822/step Wall: 9506.13, 0.00313822/step, 1.70597 hours remaining, 234.570312 MB of memory in use. ENERGY: 3043000 3906.6809 20570.2826 14445.7571 249.7599 -203323.4721 2797.6428 0.0000 0.0000 51883.5719 -109469.7769 298.1756 -161353.3488 -109115.6212 298.5955 154.1370 173.9390 761688.2852 4.4713 4.4186 PRESSURE: 3043200 325.66 166.596 149.325 166.595 -190.103 -24.1848 149.324 -24.1841 163.868 GPRESSURE: 3043200 223.101 185.402 229.384 175.301 -29.7749 71.2093 187.39 30.2383 192.4 PRESSAVG: 3043200 -38.0311 13.2149 11.2374 13.2148 -4.46536 24.1731 11.2374 24.1731 11.1021 GPRESSAVG: 3043200 -37.3298 15.0678 10.7083 12.1417 -4.56273 24.4529 12.8884 25.5441 10.4741 TIMING: 3043200 CPU: 9506.75, 0.00314243/step Wall: 9506.75, 0.00314243/step, 1.70808 hours remaining, 234.570312 MB of memory in use. ENERGY: 3043200 3978.3359 20315.1202 14525.8774 239.1193 -203629.5249 2927.2923 0.0000 0.0000 52130.9625 -109512.8173 299.5974 -161643.7798 -109149.4042 299.0097 99.8086 128.5753 760456.7964 -10.4648 -10.4728 PRESSURE: 3043400 -143.595 -83.0549 -79.7975 -83.0552 91.1657 -69.4766 -79.7967 -69.4781 -206.616 GPRESSURE: 3043400 -103.267 -82.3938 -35.6878 12.5583 124.548 -76.8402 -129.473 -52.0121 -164.867 PRESSAVG: 3043400 5.62761 18.7884 -14.8539 18.7884 21.9787 -4.0725 -14.8539 -4.07251 -18.264 GPRESSAVG: 3043400 5.39265 18.1554 -15.746 19.5233 22.1987 -3.97695 -15.3214 -5.2614 -17.8393 TIMING: 3043400 CPU: 9507.38, 0.00313143/step Wall: 9507.38, 0.00313143/step, 1.70193 hours remaining, 234.570312 MB of memory in use. ENERGY: 3043400 4011.6337 20405.9414 14459.5077 219.7625 -202988.1319 2540.1309 0.0000 0.0000 52155.6947 -109195.4612 299.7395 -161351.1558 -108836.2344 298.7176 -86.3484 -47.8616 761334.8895 3.1141 3.2507 PRESSURE: 3043600 -3.65832 72.4621 158.304 72.4617 -333.413 250.363 158.304 250.363 277.424 GPRESSURE: 3043600 15.3512 -11.6847 136.04 177.383 -238.42 107.062 127.113 324.59 261.656 PRESSAVG: 3043600 49.263 -34.9303 -30.1212 -34.9303 9.10945 -28.8956 -30.1213 -28.8958 -3.37234 GPRESSAVG: 3043600 49.0821 -33.6162 -31.0069 -34.651 10.2854 -31.4571 -31.0795 -26.8604 -3.80646 TIMING: 3043600 CPU: 9508.01, 0.00313773/step Wall: 9508.01, 0.00313773/step, 1.70518 hours remaining, 234.570312 MB of memory in use. ENERGY: 3043600 3969.9529 20432.5172 14426.5042 242.2478 -203331.2038 2518.0938 0.0000 0.0000 52331.6192 -109410.2685 300.7505 -161741.8877 -109037.7319 299.5196 -19.8823 12.8623 758745.9673 18.3334 18.5203 PRESSURE: 3043800 220.324 -9.36526 -102.672 -9.36614 -357.182 76.9674 -102.672 76.9679 -235.506 GPRESSURE: 3043800 159.786 105.822 -93.8815 -79.1934 -238.276 121.849 76.3383 199.411 -203.247 PRESSAVG: 3043800 38.0035 -32.4218 -0.332604 -32.4218 -26.1622 -19.2342 -0.332574 -19.2342 13.2517 GPRESSAVG: 3043800 37.0213 -31.8871 1.00183 -31.8532 -25.5004 -17.6432 1.17104 -19.7807 13.5746 TIMING: 3043800 CPU: 9508.64, 0.00314211/step Wall: 9508.64, 0.00314211/step, 1.70739 hours remaining, 234.570312 MB of memory in use. ENERGY: 3043800 3935.3306 20560.8663 14475.0346 252.1083 -203149.7610 2651.6651 0.0000 0.0000 51794.7259 -109480.0300 297.6650 -161274.7560 -109138.3482 298.9011 -124.1213 -93.9124 761186.7631 8.3643 8.3651 PRESSURE: 3044000 69.2588 173.037 127.601 173.038 134.273 57.1253 127.601 57.1236 175.503 GPRESSURE: 3044000 85.8836 94.3325 69.3899 123.04 192.772 25.3794 32.9187 12.465 174.76 PRESSAVG: 3044000 -0.0758276 44.8309 -43.524 44.8309 49.6819 11.5923 -43.5239 11.5924 -2.40197 GPRESSAVG: 3044000 2.02576 43.553 -44.7522 45.3837 47.5101 12.5453 -44.0502 9.63619 -2.09071 TIMING: 3044000 CPU: 9509.27, 0.0031489/step Wall: 9509.27, 0.0031489/step, 1.7109 hours remaining, 234.570312 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: 3044000 4020.7586 20353.1236 14414.1183 265.0078 -203095.1006 2509.8772 0.0000 0.0000 52066.3039 -109465.9112 299.2258 -161532.2151 -109105.1432 299.2222 126.3451 151.1387 758726.4661 15.7347 15.8150 PRESSURE: 3044200 340.186 21.6435 163.481 21.6429 132.827 269.026 163.481 269.025 142.402 GPRESSURE: 3044200 294.088 103.763 171.111 69.9378 232.901 236.994 146.336 201.439 185.945 PRESSAVG: 3044200 34.4065 22.0795 -18.7091 22.0795 -25.5011 -27.9466 -18.7092 -27.9465 6.83329 GPRESSAVG: 3044200 34.5944 22.487 -16.926 19.5219 -24.825 -27.9733 -17.5744 -26.9181 6.3823 TIMING: 3044200 CPU: 9509.9, 0.00315369/step Wall: 9509.9, 0.00315369/step, 1.71333 hours remaining, 234.570312 MB of memory in use. ENERGY: 3044200 3933.7228 20387.0058 14412.8811 264.8997 -202882.9379 2509.1757 0.0000 0.0000 52120.2972 -109254.9557 299.5361 -161375.2529 -108891.1606 299.3646 205.1384 237.6446 760092.9700 5.2462 5.3839 LDB: ============= START OF LOAD BALANCING ============== 9522.38 LDB: ============== END OF LOAD BALANCING =============== 9522.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9522.38 LDB: ============= START OF LOAD BALANCING ============== 9522.69 LDB: Largest compute 7007 load 0.029541 is 15.1% of average load 0.195047 LDB: Average compute 0.004374 is 2.2% of average load 0.195047 LDB: TIME 9522.7 LOAD: AVG 0.195047 MAX 0.215803 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.598 MB LDB: TIME 9522.7 LOAD: AVG 0.195047 MAX 0.215803 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.598 MB LDB: TIME 9522.7 LOAD: AVG 0.195047 MAX 0.215803 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.598 MB LDB: ============== END OF LOAD BALANCING =============== 9522.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9522.7 PRESSURE: 3044400 308.571 -104.628 28.6237 -104.628 73.334 -65.2971 28.6232 -65.2974 159.891 GPRESSURE: 3044400 297.274 -50.1534 9.95595 -8.61712 135.685 -60.3602 35.5244 -16.3443 199.631 PRESSAVG: 3044400 -9.41285 -11.0462 28.6891 -11.0462 36.404 -48.5289 28.689 -48.529 19.6745 GPRESSAVG: 3044400 -10.2058 -12.8121 27.7692 -10.2061 37.3178 -48.9437 26.4077 -47.7828 20.255 TIMING: 3044400 CPU: 9510.54, 0.00320186/step Wall: 9510.54, 0.00320186/step, 1.73932 hours remaining, 234.746094 MB of memory in use. ENERGY: 3044400 3964.4008 20576.1796 14376.1147 265.2791 -203305.8432 2661.1625 0.0000 0.0000 52190.2046 -109272.5018 299.9378 -161462.7064 -108913.2603 299.8808 180.5985 210.8632 761224.2881 15.5552 15.7890 PRESSURE: 3044600 -62.6263 257.877 -107.403 257.877 73.4731 206.821 -107.403 206.822 -192.355 GPRESSURE: 3044600 -106.392 253.305 -110.316 215.059 103.896 237.056 7.73024 41.9195 -111.388 PRESSAVG: 3044600 -14.7895 7.31037 -6.89706 7.31032 -2.75195 -12.7772 -6.89706 -12.7773 -2.26656 GPRESSAVG: 3044600 -14.769 7.29883 -7.39982 7.18841 -3.44221 -11.771 -3.99104 -15.0312 -2.07679 TIMING: 3044600 CPU: 9511.16, 0.00312874/step Wall: 9511.16, 0.00312875/step, 1.69943 hours remaining, 234.949219 MB of memory in use. ENERGY: 3044600 3980.7010 20577.9993 14396.7692 270.9186 -202991.1542 2291.8140 0.0000 0.0000 52232.9704 -109239.9817 300.1836 -161472.9521 -108871.8846 299.7055 -60.5028 -37.9615 762684.1205 -6.6027 -6.7627 PRESSURE: 3044800 -110.44 -118.945 -89.8838 -118.946 82.6562 -185.615 -89.8835 -185.615 1.84157 GPRESSURE: 3044800 -3.37133 -2.90347 -66.0122 14.9754 48.0789 -199.805 -70.0103 -244.501 14.1897 PRESSAVG: 3044800 12.609 19.0802 -73.0734 19.0802 23.3647 -49.6645 -73.0735 -49.6646 -8.84293 GPRESSAVG: 3044800 13.442 20.4475 -72.42 18.7805 22.0573 -51.0033 -74.0105 -48.5238 -8.06468 TIMING: 3044800 CPU: 9511.79, 0.00314088/step Wall: 9511.79, 0.00314088/step, 1.70585 hours remaining, 234.949219 MB of memory in use. ENERGY: 3044800 4043.5539 20532.2822 14463.8382 236.4646 -203356.4732 2707.9969 0.0000 0.0000 52075.3611 -109296.9762 299.2778 -161372.3373 -108940.0943 299.4268 -8.6473 19.6324 763201.7786 9.0436 9.1449 PRESSURE: 3045000 279.429 -34.7238 10.1594 -34.7227 -443.976 178.686 10.1593 178.687 229.284 GPRESSURE: 3045000 292.658 18.2856 25.8575 36.2661 -337.059 226.252 -122.121 75.0755 187.494 PRESSAVG: 3045000 -28.7115 2.45306 -12.6749 2.45311 16.7279 -19.9525 -12.6749 -19.9524 2.42155 GPRESSAVG: 3045000 -28.7404 2.81795 -12.4038 3.2553 18.3435 -20.5843 -12.191 -21.25 1.25856 TIMING: 3045000 CPU: 9512.42, 0.00314177/step Wall: 9512.42, 0.00314177/step, 1.70616 hours remaining, 234.949219 MB of memory in use. ENERGY: 3045000 4015.7765 20475.0506 14416.3351 241.5871 -203317.0756 2881.2807 0.0000 0.0000 52248.8537 -109038.1917 300.2749 -161287.0454 -108667.1690 299.5212 21.5789 47.6976 762703.4512 -3.1873 -3.0461 PRESSURE: 3045200 -199.031 -159.633 -47.2121 -159.632 -312.456 -54.4817 -47.2119 -54.482 -302.792 GPRESSURE: 3045200 -191.182 -177.707 17.5331 -132.304 -219.873 -16.631 -145.475 -88.247 -317.247 PRESSAVG: 3045200 3.46747 -75.3648 9.25093 -75.3648 14.299 -48.2027 9.25095 -48.2026 -13.7797 GPRESSAVG: 3045200 3.08544 -75.5139 8.36324 -76.8497 14.0302 -46.3987 7.65371 -47.3736 -13.9085 TIMING: 3045200 CPU: 9513.05, 0.00313579/step Wall: 9513.05, 0.00313579/step, 1.70273 hours remaining, 234.949219 MB of memory in use. ENERGY: 3045200 4009.4947 20555.9155 14493.2117 249.7689 -202653.1436 2235.8652 0.0000 0.0000 52158.6788 -108950.2088 299.7566 -161108.8876 -108584.6402 300.5505 -271.4262 -242.7674 763469.6554 1.3289 1.0690 PRESSURE: 3045400 38.3503 13.6883 48.9612 13.6887 -128.06 -170.77 48.9612 -170.77 -20.7105 GPRESSURE: 3045400 90.1908 -77.7533 81.126 113.077 -62.7961 -122.684 87.3176 -309.877 -56.4826 PRESSAVG: 3045400 40.9421 -42.0508 -47.6 -42.0508 -43.0808 -74.3814 -47.6 -74.3813 5.99042 GPRESSAVG: 3045400 41.0144 -42.7483 -47.0841 -41.6314 -43.2539 -75.1219 -46.8956 -73.9675 6.12592 TIMING: 3045400 CPU: 9513.67, 0.00312912/step Wall: 9513.67, 0.00312912/step, 1.69894 hours remaining, 234.949219 MB of memory in use. ENERGY: 3045400 4021.6570 20373.1938 14396.1070 273.0948 -202774.7613 2368.1306 0.0000 0.0000 52352.1223 -108990.4558 300.8684 -161342.5781 -108626.7878 299.7768 -36.8067 -9.6960 762174.1393 1.2839 1.2955 PRESSURE: 3045600 -111.177 -190.857 -201.707 -190.857 281.248 33.5196 -201.706 33.5205 -95.5179 GPRESSURE: 3045600 -40.372 -213.17 -178.025 -116.519 194.78 -27.3825 -177.333 37.7916 17.6216 PRESSAVG: 3045600 -29.124 -4.05088 -3.72488 -4.0508 52.4612 -15.5299 -3.72496 -15.5299 1.94253 GPRESSAVG: 3045600 -28.8161 -4.53943 -5.35623 -5.25448 52.0732 -14.5377 -2.37848 -17.5188 2.00225 TIMING: 3045600 CPU: 9514.3, 0.00313943/step Wall: 9514.3, 0.00313943/step, 1.70436 hours remaining, 234.949219 MB of memory in use. ENERGY: 3045600 3868.1419 20582.3365 14370.2698 230.8517 -202671.8840 2556.7772 0.0000 0.0000 51993.1547 -109070.3523 298.8054 -161063.5070 -108703.8835 300.0519 24.8512 57.3433 762504.1361 8.4266 8.4198 PRESSURE: 3045800 147.72 -131.302 112.905 -131.303 -22.5014 -61.1535 112.904 -61.1532 371.157 GPRESSURE: 3045800 188.54 -37.4676 64.4877 -149.036 25.5024 -48.3139 62.1938 -95.024 368.437 PRESSAVG: 3045800 -75.928 -51.472 -18.7936 -51.472 52.7202 -24.361 -18.7937 -24.361 14.7362 GPRESSAVG: 3045800 -75.5571 -49.3102 -16.8919 -49.3906 52.4591 -25.1129 -19.7765 -20.5467 14.2338 TIMING: 3045800 CPU: 9514.93, 0.00313622/step Wall: 9514.93, 0.00313622/step, 1.70245 hours remaining, 234.949219 MB of memory in use. ENERGY: 3045800 3928.1723 20472.2585 14386.5740 246.6695 -203399.1002 2795.6553 0.0000 0.0000 52440.2906 -109129.4799 301.3751 -161569.7705 -108762.0271 299.0240 165.4584 194.1598 762404.1550 -2.8239 -2.9547 PRESSURE: 3046000 -23.9179 -19.1073 -71.7608 -19.1073 329.641 88.2701 -71.7621 88.269 134.055 GPRESSURE: 3046000 -17.3889 50.8067 -20.8975 -67.1111 387.666 87.1077 -52.8496 57.5519 158.416 PRESSAVG: 3046000 -21.5179 -32.1159 6.42631 -32.1159 5.35457 28.908 6.42626 28.908 -7.33248 GPRESSAVG: 3046000 -22.679 -32.4257 8.61542 -33.8418 5.96732 28.135 4.58624 26.1312 -6.63789 TIMING: 3046000 CPU: 9515.55, 0.00312841/step Wall: 9515.55, 0.00312841/step, 1.69803 hours remaining, 234.949219 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: 3046000 4015.1108 20510.6927 14355.8716 247.8537 -203197.4094 2905.3643 0.0000 0.0000 52388.3381 -108774.1783 301.0765 -161162.5164 -108407.7845 299.8785 146.5927 176.2311 763260.3294 -7.8319 -7.7832 PRESSURE: 3046200 -29.2351 -128.821 151.43 -128.822 -235.762 -88.4635 151.43 -88.463 -51.4429 GPRESSURE: 3046200 -33.8344 -95.3135 160.582 -166.79 -114.846 -51.0263 115.523 -150.416 -70.3501 PRESSAVG: 3046200 -1.89707 -64.6678 22.2518 -64.6678 10.0968 -27.1415 22.2519 -27.1416 -15.3151 GPRESSAVG: 3046200 -1.48282 -65.2532 21.4878 -65.2541 10.7513 -27.339 22.7165 -26.1916 -15.8448 TIMING: 3046200 CPU: 9516.18, 0.00313312/step Wall: 9516.18, 0.00313312/step, 1.70041 hours remaining, 234.949219 MB of memory in use. ENERGY: 3046200 3971.8730 20535.6966 14525.9245 269.2874 -203016.0229 2726.0839 0.0000 0.0000 52141.7858 -108845.3717 299.6596 -160987.1575 -108485.8898 300.4530 -105.4800 -73.0101 762673.6582 -2.3718 -2.1921 PRESSURE: 3046400 -337.634 -10.5182 -39.2377 -10.5171 -414.943 132.264 -39.238 132.265 -557.376 GPRESSURE: 3046400 -180.972 -105.086 -47.4606 -48.8065 -471.481 116.083 -37.6724 -38.6108 -563.777 PRESSAVG: 3046400 29.3311 -44.388 -2.36067 -44.388 32.9394 -39.3717 -2.36072 -39.3718 0.293715 GPRESSAVG: 3046400 28.3028 -46.8767 -4.2549 -42.5649 34.0385 -38.4046 -1.2101 -43.255 -0.136567 TIMING: 3046400 CPU: 9516.81, 0.00314699/step Wall: 9516.81, 0.00314699/step, 1.70777 hours remaining, 234.949219 MB of memory in use. ENERGY: 3046400 4048.5014 20622.7167 14446.4933 265.9111 -202388.5844 2002.2805 0.0000 0.0000 51854.2497 -109148.4318 298.0071 -161002.6815 -108791.8176 299.9302 -436.6510 -405.4102 761501.5891 20.8548 20.7349 PRESSURE: 3046600 -222.861 32.6418 -112.103 32.642 -215.17 39.9403 -112.102 39.9397 97.0817 GPRESSURE: 3046600 -201.996 139.242 -105.655 36.2698 -198.479 117.776 -103.508 74.6099 138.404 PRESSAVG: 3046600 -21.3807 17.3202 -62.5183 17.3203 -21.7589 -7.35799 -62.5183 -7.35798 16.5876 GPRESSAVG: 3046600 -20.4957 19.8419 -62.0028 15.6879 -21.9927 -8.33934 -61.6675 -2.81692 15.7206 TIMING: 3046600 CPU: 9517.44, 0.00314006/step Wall: 9517.44, 0.00314006/step, 1.70383 hours remaining, 234.949219 MB of memory in use. ENERGY: 3046600 3968.2118 20510.3129 14438.8043 269.4850 -203259.3026 2744.0433 0.0000 0.0000 52038.4181 -109290.0272 299.0655 -161328.4454 -108932.6038 299.1783 -113.6498 -87.3572 762662.2724 -8.8507 -8.9226 PRESSURE: 3046800 62.7461 20.5993 -52.4578 20.5989 92.2156 132.701 -52.458 132.702 1.7748 GPRESSURE: 3046800 74.7164 7.1621 -32.9493 54.8035 43.4629 96.9617 -155.573 106.118 126.072 PRESSAVG: 3046800 -118.369 -44.623 -62.8243 -44.623 34.7501 3.68644 -62.8243 3.68646 11.5017 GPRESSAVG: 3046800 -117.313 -45.596 -62.299 -42.3138 33.2213 3.54277 -63.6503 3.50863 12.0116 TIMING: 3046800 CPU: 9518.07, 0.00314138/step Wall: 9518.07, 0.00314138/step, 1.70437 hours remaining, 234.949219 MB of memory in use. ENERGY: 3046800 4075.8126 20517.0186 14418.0828 233.4300 -203622.2724 2883.1869 0.0000 0.0000 52090.4358 -109404.3056 299.3645 -161494.7414 -109053.7956 298.9580 52.2455 81.4171 763835.8174 -24.0390 -24.0266 PRESSURE: 3047000 -117.091 -159.844 -69.3408 -159.844 -114.251 -148.628 -69.3405 -148.628 179.766 GPRESSURE: 3047000 -87.7119 -98.2671 0.832596 -99.4162 -1.59172 -134.408 -95.683 -181.02 112.373 PRESSAVG: 3047000 -55.0475 -17.2927 -40.0023 -17.2927 54.2517 -9.57082 -40.0023 -9.57081 19.2736 GPRESSAVG: 3047000 -54.8312 -16.7573 -40.3117 -17.5459 54.9298 -7.3729 -40.8338 -11.3716 17.8015 TIMING: 3047000 CPU: 9518.7, 0.00315536/step Wall: 9518.7, 0.00315536/step, 1.71178 hours remaining, 234.949219 MB of memory in use. ENERGY: 3047000 4026.6616 20572.1395 14426.6035 265.5678 -203308.0239 2658.2177 0.0000 0.0000 52048.3352 -109310.4986 299.1225 -161358.8338 -108954.4158 299.3864 -17.1920 7.6896 760566.8129 6.1593 5.9667 PRESSURE: 3047200 -126.788 -172.927 158.798 -172.926 -38.4048 36.8926 158.797 36.8916 408.138 GPRESSURE: 3047200 -27.0408 -201.158 129.285 -275.222 8.66554 155.851 178.756 -84.2897 361.894 PRESSAVG: 3047200 -2.66524 -14.8689 -20.0479 -14.869 -3.70016 -22.148 -20.048 -22.1481 -21.9315 GPRESSAVG: 3047200 -2.99831 -14.2148 -21.076 -17.5002 -5.59826 -22.7589 -18.5358 -19.8852 -19.4873 TIMING: 3047200 CPU: 9519.32, 0.00313121/step Wall: 9519.32, 0.00313121/step, 1.69851 hours remaining, 234.949219 MB of memory in use. ENERGY: 3047200 4013.1362 20408.4913 14365.1348 254.6324 -203216.4029 2583.1357 0.0000 0.0000 52185.8065 -109406.0661 299.9125 -161591.8726 -109037.5599 299.2010 80.9818 114.5064 761452.7092 -9.4323 -9.3613 PRESSURE: 3047400 -561.578 84.8988 133.113 84.8979 -56.472 -64.9123 133.115 -64.9134 -546.557 GPRESSURE: 3047400 -535.797 102.087 214.076 112.603 -29.4894 -105.928 60.8175 121.103 -514.869 PRESSAVG: 3047400 -95.6823 8.27888 -24.3681 8.27884 58.022 -14.374 -24.368 -14.374 -33.6464 GPRESSAVG: 3047400 -96.4361 6.2898 -22.1259 10.8015 59.3805 -15.809 -26.45 -14.025 -33.6031 TIMING: 3047400 CPU: 9519.95, 0.00312287/step Wall: 9519.95, 0.00312287/step, 1.69381 hours remaining, 234.949219 MB of memory in use. ENERGY: 3047400 3990.1467 20491.3149 14404.5230 257.6652 -203136.2060 2428.4180 0.0000 0.0000 52223.0267 -109341.1114 300.1265 -161564.1381 -108978.9122 299.3989 -388.2025 -360.0517 762337.1292 -23.7689 -23.5529 PRESSURE: 3047600 251.708 -32.726 74.4007 -32.7252 -144.724 -342.72 74.401 -342.721 -93.8208 GPRESSURE: 3047600 192.892 -94.0659 66.1594 15.4597 -50.1091 -366.513 162.396 -297.265 -36.3016 PRESSAVG: 3047600 -35.1497 2.65841 19.147 2.65835 28.7206 -54.3817 19.1471 -54.3816 8.77231 GPRESSAVG: 3047600 -35.927 3.83864 18.3916 2.07439 29.7642 -52.8554 19.9635 -56.1164 8.05677 TIMING: 3047600 CPU: 9520.57, 0.00313804/step Wall: 9520.57, 0.00313804/step, 1.70186 hours remaining, 234.949219 MB of memory in use. ENERGY: 3047600 3928.8383 20643.1472 14415.9500 237.8926 -202573.7327 2122.1755 0.0000 0.0000 51889.5029 -109336.2260 298.2097 -161225.7289 -108971.9798 299.1938 4.3877 35.4937 763470.2173 0.7811 0.6313 PRESSURE: 3047800 307.584 131.658 127.972 131.658 47.2091 80.9418 127.972 80.9407 35.7632 GPRESSURE: 3047800 307.965 99.7714 91.0508 76.8911 103.423 145.54 32.3892 -109.542 47.2344 PRESSAVG: 3047800 -27.8964 3.34384 40.6937 3.34382 10.0776 -31.4797 40.6937 -31.4797 -1.79821 GPRESSAVG: 3047800 -27.5116 1.48151 40.2603 1.57968 8.28517 -29.3866 39.6762 -31.6006 -1.31329 TIMING: 3047800 CPU: 9521.2, 0.00313983/step Wall: 9521.2, 0.00313983/step, 1.70266 hours remaining, 234.949219 MB of memory in use. ENERGY: 3047800 3996.1585 20555.2100 14420.8871 249.0683 -203317.2518 2527.2040 0.0000 0.0000 52139.9099 -109428.8139 299.6488 -161568.7238 -109066.5323 298.7517 130.1854 152.8738 761085.0498 -6.5390 -6.8466 PRESSURE: 3048000 -20.1956 23.6207 -254.996 23.62 -27.8686 160.038 -254.996 160.04 382.269 GPRESSURE: 3048000 35.512 132.667 -252.875 33.8458 16.9093 121.763 -90.0272 56.7263 374.112 PRESSAVG: 3048000 -17.315 62.0642 3.82917 62.0643 78.3806 4.89617 3.82916 4.89624 -28.7676 GPRESSAVG: 3048000 -17.587 62.7792 4.63189 63.1728 78.8688 3.38068 3.72438 3.97539 -28.856 TIMING: 3048000 CPU: 9521.83, 0.00313721/step Wall: 9521.83, 0.00313721/step, 1.70107 hours remaining, 234.949219 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: 3048000 3963.4928 20452.5311 14501.1045 261.5482 -203440.1319 2583.4605 0.0000 0.0000 52253.7909 -109424.2039 300.3033 -161677.9948 -109058.6897 299.6321 111.4016 142.1779 759558.2576 10.7660 10.8086 PRESSURE: 3048200 -76.3798 -129.661 -278.245 -129.66 -281.589 -95.9289 -278.245 -95.9289 -106.17 GPRESSURE: 3048200 -77.9461 -92.5621 -302.895 -55.2028 -230.886 -47.7725 -362.773 -128.97 -70.6458 PRESSAVG: 3048200 30.6614 -11.6242 -18.7703 -11.6242 -32.0983 4.13521 -18.7704 4.13514 7.58755 GPRESSAVG: 3048200 31.2899 -10.435 -19.611 -10.9207 -33.2175 3.53298 -18.8258 5.58261 8.03173 TIMING: 3048200 CPU: 9522.46, 0.00312997/step Wall: 9522.46, 0.00312997/step, 1.69697 hours remaining, 234.949219 MB of memory in use. ENERGY: 3048200 3955.5818 20484.4333 14458.9633 242.1389 -203173.4450 2243.0157 0.0000 0.0000 52038.3562 -109750.9557 299.0651 -161789.3120 -109382.5276 299.1554 -154.7127 -126.4927 759919.0842 2.0502 2.0347 LDB: ============= START OF LOAD BALANCING ============== 9534.94 LDB: ============== END OF LOAD BALANCING =============== 9534.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9534.94 LDB: ============= START OF LOAD BALANCING ============== 9535.25 LDB: Largest compute 7069 load 0.028508 is 14.6% of average load 0.195085 LDB: Average compute 0.004377 is 2.2% of average load 0.195085 LDB: TIME 9535.25 LOAD: AVG 0.195085 MAX 0.215959 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 9535.25 LOAD: AVG 0.195085 MAX 0.215959 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: TIME 9535.25 LOAD: AVG 0.195085 MAX 0.215959 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: ============== END OF LOAD BALANCING =============== 9535.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9535.26 PRESSURE: 3048400 -81.2059 69.2361 295.845 69.2373 -105.45 86.9768 295.844 86.9769 302.218 GPRESSURE: 3048400 -47.0277 124.396 304.42 13.8385 -75.2923 95.8725 307.796 127.429 318.73 PRESSAVG: 3048400 -7.76484 -5.30287 3.51105 -5.30293 -16.8581 -61.6053 3.51106 -61.6053 22.8566 GPRESSAVG: 3048400 -8.78997 -4.85746 3.86017 -6.07745 -14.9384 -61.3999 4.75867 -62.7214 22.0703 TIMING: 3048400 CPU: 9523.1, 0.00319732/step Wall: 9523.1, 0.00319732/step, 1.7333 hours remaining, 234.253906 MB of memory in use. ENERGY: 3048400 3964.1296 20523.5332 14435.1525 239.6050 -203794.9919 2956.0506 0.0000 0.0000 51932.7157 -109743.8053 298.4580 -161676.5210 -109382.7227 298.5331 38.5207 65.4699 760702.6589 -0.5888 -0.5527 PRESSURE: 3048600 171.022 -44.3245 148.806 -44.3251 607.486 -110.221 148.806 -110.222 233.677 GPRESSURE: 3048600 313.422 -24.4071 220.815 -2.08233 521.362 -65.923 188.057 -42.6528 258.516 PRESSAVG: 3048600 15.2093 30.1499 2.30727 30.1499 -16.3734 -52.1828 2.3073 -52.1827 20.0723 GPRESSAVG: 3048600 15.544 29.0129 2.0219 30.0373 -17.9797 -52.5304 1.93467 -50.8626 20.9452 TIMING: 3048600 CPU: 9523.72, 0.00313623/step Wall: 9523.72, 0.00313623/step, 1.70001 hours remaining, 234.253906 MB of memory in use. ENERGY: 3048600 3965.7750 20416.3863 14375.2677 244.2612 -203938.5463 3067.7376 0.0000 0.0000 52119.0924 -109750.0262 299.5291 -161869.1186 -109388.1291 298.4114 337.3950 364.4333 759249.2294 6.3027 6.1698 PRESSURE: 3048800 96.2087 -161.62 -29.1051 -161.62 68.6033 -171.176 -29.104 -171.176 -259.237 GPRESSURE: 3048800 156.863 -168.65 -56.8957 -186.513 53.8628 -160.093 6.42385 -171.788 -221.373 PRESSAVG: 3048800 81.9164 -11.0743 24.0184 -11.0744 4.08377 -48.8713 24.0184 -48.8714 2.42537 GPRESSAVG: 3048800 82.9564 -11.4835 23.9193 -13.1214 4.6517 -48.3003 22.5404 -51.1579 1.50265 TIMING: 3048800 CPU: 9524.35, 0.0031214/step Wall: 9524.35, 0.0031214/step, 1.6918 hours remaining, 234.253906 MB of memory in use. ENERGY: 3048800 4115.0150 20650.1785 14348.3471 242.8815 -203712.6282 2759.5729 0.0000 0.0000 51947.6462 -109648.9871 298.5438 -161596.6333 -109291.3667 299.2037 -31.4751 -3.5494 759611.9456 29.4752 29.7036 PRESSURE: 3049000 209.24 384.191 306.279 384.191 -442.292 -249.022 306.278 -249.023 192.676 GPRESSURE: 3049000 161.44 290.613 210.574 306.499 -266.075 -126.924 380.302 -226.362 149.877 PRESSAVG: 3049000 20.0565 -19.9446 61.027 -19.9446 -23.0684 -68.8848 61.027 -68.8848 -2.80776 GPRESSAVG: 3049000 19.2707 -21.4652 60.8934 -17.2849 -22.2316 -67.8277 62.9392 -69.3052 -2.81497 TIMING: 3049000 CPU: 9524.97, 0.00313438/step Wall: 9524.97, 0.00313438/step, 1.69866 hours remaining, 234.253906 MB of memory in use. ENERGY: 3049000 4041.3462 20488.0534 14391.9905 244.2629 -203498.8372 2624.6840 0.0000 0.0000 51910.6868 -109797.8135 298.3314 -161708.5003 -109439.8800 299.1454 -13.4588 15.0804 760227.4107 -1.9399 -1.9253 PRESSURE: 3049200 279.66 -98.9638 -287.97 -98.9635 50.4449 -144.816 -287.971 -144.817 -394.456 GPRESSURE: 3049200 246.799 -209.871 -256.422 -82.7708 15.0502 -153.899 -290.912 -158.545 -262.196 PRESSAVG: 3049200 19.6685 19.9696 -2.521 19.9695 -40.0516 -38.3844 -2.52093 -38.3845 30.9269 GPRESSAVG: 3049200 18.8864 21.8668 -1.89449 19.4563 -39.7156 -39.9475 -1.30257 -38.663 32.0539 TIMING: 3049200 CPU: 9525.6, 0.00313356/step Wall: 9525.6, 0.00313356/step, 1.69804 hours remaining, 234.253906 MB of memory in use. ENERGY: 3049200 4012.0621 20545.5394 14426.1198 247.6712 -203559.7471 2655.8433 0.0000 0.0000 51912.7250 -109759.7864 298.3431 -161672.5114 -109409.5818 298.4360 -21.4502 -0.1154 760167.9655 3.5146 3.7416 PRESSURE: 3049400 -433.61 1.72812 54.6178 1.72793 -223.43 -60.6795 54.6179 -60.6796 -116.865 GPRESSURE: 3049400 -427.281 161.476 49.2065 32.5079 -135.248 -29.7589 -5.85466 10.3593 -122.612 PRESSAVG: 3049400 -25.8566 33.013 -9.73069 33.013 64.3616 -61.6532 -9.73066 -61.6532 3.81156 GPRESSAVG: 3049400 -24.3254 33.4346 -10.1113 33.4507 63.3493 -63.0833 -11.0633 -57.0827 3.68948 TIMING: 3049400 CPU: 9526.23, 0.00313298/step Wall: 9526.23, 0.00313298/step, 1.69755 hours remaining, 234.253906 MB of memory in use. ENERGY: 3049400 4108.9580 20510.0251 14434.7070 252.4300 -203628.7476 2638.0508 0.0000 0.0000 52065.9374 -109618.6391 299.2237 -161684.5765 -109259.7349 298.8311 -257.9683 -228.3806 762315.8719 14.1055 14.2378 PRESSURE: 3049600 157.03 -181.747 84.1831 -181.747 68.4248 270.337 84.1836 270.337 -82.6873 GPRESSURE: 3049600 121.824 -258.52 111.288 -173.973 165.06 256.791 137.834 242.431 -63.3062 PRESSAVG: 3049600 0.825022 39.2505 -16.1114 39.2505 -9.36009 28.8124 -16.1115 28.8124 6.86596 GPRESSAVG: 3049600 1.31961 39.3969 -14.6233 37.566 -10.3852 28.1332 -16.441 25.7428 6.80534 TIMING: 3049600 CPU: 9526.85, 0.00313169/step Wall: 9526.85, 0.00313169/step, 1.69668 hours remaining, 234.253906 MB of memory in use. ENERGY: 3049600 3996.9470 20481.0497 14457.9096 254.2429 -203493.1276 2741.8732 0.0000 0.0000 51985.8862 -109575.2190 298.7636 -161561.1052 -109215.3258 299.2053 47.5890 74.5260 761572.6416 -0.5564 -0.7534 PRESSURE: 3049800 -39.9555 11.0661 82.7657 11.0665 -512.882 65.7354 82.7651 65.7353 -127.387 GPRESSURE: 3049800 -88.5794 25.3285 131.953 -20.8175 -394.26 108.983 51.9872 72.9381 -115.429 PRESSAVG: 3049800 -5.65542 -45.1206 -45.6114 -45.1206 -44.1932 4.67613 -45.6114 4.67607 -0.558667 GPRESSAVG: 3049800 -6.62427 -45.4238 -46.1929 -43.236 -43.1847 7.41756 -47.1925 4.8604 -0.274703 TIMING: 3049800 CPU: 9527.48, 0.0031199/step Wall: 9527.48, 0.0031199/step, 1.69012 hours remaining, 234.253906 MB of memory in use. ENERGY: 3049800 3892.6836 20430.3486 14507.6168 234.6622 -203723.4114 2694.9321 0.0000 0.0000 52497.5432 -109465.6248 301.7041 -161963.1680 -109092.7123 299.0907 -226.7414 -199.4228 762356.2127 -16.8024 -16.6946 PRESSURE: 3050000 77.9928 -170.179 141.347 -170.178 69.0509 -141.044 141.346 -141.044 -33.7394 GPRESSURE: 3050000 134.102 -151.577 140.648 -183.27 60.156 -224.134 222.888 -115.582 21.7817 PRESSAVG: 3050000 1.65675 -62.7873 -43.5981 -62.7874 41.8256 -7.23984 -43.5981 -7.23984 -3.30032 GPRESSAVG: 3050000 1.91476 -63.5787 -44.49 -64.3703 42.2668 -10.2961 -42.2538 -8.25151 -4.06585 TIMING: 3050000 CPU: 9528.1, 0.00311778/step Wall: 9528.1, 0.00311778/step, 1.6888 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3050000 3972.6234 20654.7711 14455.3685 251.8153 -203334.4990 2593.1423 0.0000 0.0000 51836.0987 -109570.6795 297.9028 -161406.7782 -109216.0589 299.1929 37.7681 72.0133 761613.1547 13.3940 13.3719 PRESSURE: 3050200 403.351 140.89 -121.265 140.89 82.6632 -90.5512 -121.265 -90.5511 225.233 GPRESSURE: 3050200 449.133 103.258 -139.86 123.603 84.9351 -120.293 -135.381 -15.9316 251.428 PRESSAVG: 3050200 -4.57362 -32.646 -28.8148 -32.6461 -8.14658 -25.0739 -28.8148 -25.0739 18.6744 GPRESSAVG: 3050200 -5.17687 -31.901 -29.2262 -30.1826 -9.05073 -24.1544 -29.0332 -24.9712 19.8765 TIMING: 3050200 CPU: 9528.73, 0.00312642/step Wall: 9528.73, 0.00312642/step, 1.6933 hours remaining, 234.253906 MB of memory in use. ENERGY: 3050200 3916.3380 20636.6803 14448.5749 243.5172 -203827.8238 3079.9241 0.0000 0.0000 52073.4904 -109429.2990 299.2671 -161502.7894 -109060.3234 299.3926 237.0823 261.8321 760172.6059 1.9847 1.8830 PRESSURE: 3050400 34.6278 -91.0302 75.9703 -91.0296 -192.464 -105.563 75.9702 -105.562 -176.573 GPRESSURE: 3050400 109.472 -8.38832 63.1884 -15.7683 -131.134 -72.9548 167.575 55.8367 -216.58 PRESSAVG: 3050400 5.15047 11.929 28.9861 11.929 -14.868 -17.7412 28.9861 -17.7412 -7.01233 GPRESSAVG: 3050400 5.90608 13.1403 29.052 9.93278 -14.975 -18.7636 29.4803 -15.924 -7.52653 TIMING: 3050400 CPU: 9529.35, 0.00312664/step Wall: 9529.35, 0.00312664/step, 1.69325 hours remaining, 234.253906 MB of memory in use. ENERGY: 3050400 3982.4408 20559.6820 14422.1178 250.2248 -203778.8095 2920.7205 0.0000 0.0000 52268.5508 -109375.0727 300.3881 -161643.6235 -109013.0746 299.6388 -111.4696 -79.4139 762205.8632 -5.5766 -5.5318 PRESSURE: 3050600 8.91054 -107.782 205.767 -107.782 -64.2243 34.7807 205.766 34.7806 829.575 GPRESSURE: 3050600 -77.5319 -124.323 244.797 -66.9026 143.413 46.5733 209.013 61.6585 790.371 PRESSAVG: 3050600 32.4795 7.45895 34.5079 7.4589 -24.0915 -38.5888 34.5079 -38.5888 -9.49356 GPRESSAVG: 3050600 31.772 7.00085 33.5437 7.40301 -23.8976 -38.199 34.4737 -37.9787 -8.47567 TIMING: 3050600 CPU: 9529.98, 0.00313727/step Wall: 9529.98, 0.00313727/step, 1.69883 hours remaining, 234.253906 MB of memory in use. ENERGY: 3050600 4000.6520 20596.7735 14429.6965 247.3394 -203399.1222 2847.2544 0.0000 0.0000 52061.1318 -109216.2746 299.1960 -161277.4064 -108845.1982 299.6288 258.0871 285.4172 762778.8448 -0.3685 -0.2004 PRESSURE: 3050800 93.6836 11.9082 115.06 11.9084 -51.1858 165.949 115.06 165.95 -36.5827 GPRESSURE: 3050800 127.322 62.9113 87.402 -28.3753 -43.8823 170.174 61.9647 116.628 12.8355 PRESSAVG: 3050800 -23.0433 -16.8765 -13.4884 -16.8765 -25.5949 48.8392 -13.4884 48.8392 18.6965 GPRESSAVG: 3050800 -22.2449 -19.5153 -11.0815 -16.9255 -25.3194 49.8376 -15.6737 46.1503 17.421 TIMING: 3050800 CPU: 9530.61, 0.00313128/step Wall: 9530.61, 0.00313128/step, 1.69541 hours remaining, 234.511719 MB of memory in use. ENERGY: 3050800 4030.2754 20578.9144 14430.5495 237.0961 -203215.9287 2690.6980 0.0000 0.0000 52135.4499 -109112.9453 299.6231 -161248.3952 -108754.5572 299.9065 1.9717 32.0919 763888.2291 -9.9806 -10.0478 PRESSURE: 3051000 5.09476 116.844 83.1627 116.844 -92.9777 -40.4051 83.1636 -40.405 -282.428 GPRESSURE: 3051000 14.9594 -22.6138 152.262 197.621 -16.342 -52.1283 152.492 -8.80682 -291.07 PRESSAVG: 3051000 40.0142 -4.25371 -16.2812 -4.25373 -13.39 -41.5212 -16.2811 -41.5212 -1.79439 GPRESSAVG: 3051000 40.5259 -3.46453 -17.8352 -3.50407 -13.7399 -40.1884 -14.1564 -41.0077 -1.74333 TIMING: 3051000 CPU: 9531.23, 0.00313037/step Wall: 9531.23, 0.00313037/step, 1.69475 hours remaining, 234.511719 MB of memory in use. ENERGY: 3051000 3988.9699 20707.4376 14436.1906 277.7364 -202973.7928 2374.7635 0.0000 0.0000 51925.2645 -109263.4304 298.4152 -161188.6949 -108908.6489 299.8874 -123.4370 -97.4842 763328.7650 8.2766 8.3476 PRESSURE: 3051200 -302.606 -14.68 -26.0718 -14.6805 -15.0051 13.3091 -26.0725 13.3095 258.272 GPRESSURE: 3051200 -182.755 -18.6197 -35.3752 -89.9959 17.3304 -77.8308 -95.8627 -37.742 218.991 PRESSAVG: 3051200 -25.4252 -9.69996 -3.87381 -9.69987 -41.6333 -30.0854 -3.87379 -30.0854 6.16827 GPRESSAVG: 3051200 -25.7241 -8.56345 -3.28943 -10.1154 -41.703 -32.0078 -2.76058 -28.0597 6.3901 TIMING: 3051200 CPU: 9531.86, 0.0031439/step Wall: 9531.86, 0.0031439/step, 1.7019 hours remaining, 234.511719 MB of memory in use. ENERGY: 3051200 4012.9274 20758.7526 14505.7947 245.9644 -203395.0436 2746.1905 0.0000 0.0000 52038.1497 -109087.2642 299.0640 -161125.4140 -108734.4758 299.5220 -19.7799 17.8556 763743.1572 -20.2967 -20.3456 PRESSURE: 3051400 201.596 45.8226 -124.398 45.8228 -153.278 -257.759 -124.398 -257.76 76.8488 GPRESSURE: 3051400 164.485 7.9216 -138.971 19.6908 -36.1815 -193.505 -123.255 -243.616 85.2821 PRESSAVG: 3051400 38.6672 -10.3637 -22.1031 -10.3638 -12.2594 -9.05625 -22.103 -9.05623 7.48933 GPRESSAVG: 3051400 39.2076 -10.8636 -21.8362 -7.85383 -12.7856 -7.95344 -24.1437 -12.1639 7.1063 TIMING: 3051400 CPU: 9532.49, 0.00314413/step Wall: 9532.49, 0.00314413/step, 1.70185 hours remaining, 234.511719 MB of memory in use. ENERGY: 3051400 3940.4171 20565.4981 14497.7966 260.4408 -202961.1294 2606.5847 0.0000 0.0000 52125.0714 -108965.3207 299.5635 -161090.3921 -108593.4754 299.5248 41.7224 71.1953 763651.7931 11.2990 11.1761 PRESSURE: 3051600 316.278 -25.9805 305.707 -25.9799 154.611 -12.6776 305.706 -12.6777 11.1753 GPRESSURE: 3051600 372.38 -33.3239 380.004 -63.7651 228.567 -51.9379 353.256 39.7263 -29.6951 PRESSAVG: 3051600 34.8049 9.97258 5.64484 9.97251 -6.1483 -43.4465 5.64485 -43.4464 -7.34232 GPRESSAVG: 3051600 32.9889 9.29591 4.4494 8.79725 -4.16085 -45.028 5.81322 -42.0715 -7.8157 TIMING: 3051600 CPU: 9533.12, 0.00315972/step Wall: 9533.12, 0.00315972/step, 1.71011 hours remaining, 234.511719 MB of memory in use. ENERGY: 3051600 3967.6751 20623.7422 14450.2333 244.0244 -203473.2590 2917.5421 0.0000 0.0000 52307.7815 -108962.2604 300.6135 -161270.0420 -108592.8997 300.0280 160.6883 190.4173 762832.3964 7.1048 7.0041 PRESSURE: 3051800 -2.20081 321.027 24.5312 321.027 340.737 138.477 24.5309 138.477 26.0677 GPRESSURE: 3051800 68.593 296.256 -89.9498 150.479 372.707 122.924 -47.4324 141.806 -3.7362 PRESSAVG: 3051800 56.0195 12.0024 -3.34605 12.0024 -4.89039 -13.5502 -3.346 -13.5501 25.8749 GPRESSAVG: 3051800 56.159 13.7348 -3.09695 12.8413 -5.25373 -14.3706 -3.97086 -14.1796 25.6657 TIMING: 3051800 CPU: 9533.75, 0.00316761/step Wall: 9533.75, 0.00316761/step, 1.7142 hours remaining, 234.511719 MB of memory in use. ENERGY: 3051800 3959.0409 20771.1787 14474.2229 244.6248 -203952.5146 3155.5850 0.0000 0.0000 52326.3424 -109021.5199 300.7202 -161347.8623 -108668.4281 300.6341 121.5345 145.8545 762032.9278 25.6680 25.5237 PRESSURE: 3052000 142.56 30.8215 -255.631 30.821 31.5408 -124.597 -255.632 -124.596 -20.3866 GPRESSURE: 3052000 124.558 106.542 -289.849 137.045 51.0768 -139.866 -111.567 -45.1288 54.0979 PRESSAVG: 3052000 24.9216 33.1786 -22.9868 33.1786 -7.5456 13.1226 -22.9868 13.1226 -9.61298 GPRESSAVG: 3052000 25.5276 32.3357 -22.6377 31.5073 -8.12092 14.2472 -20.5554 14.2541 -9.10968 TIMING: 3052000 CPU: 9534.39, 0.00315853/step Wall: 9534.39, 0.00315853/step, 1.70912 hours remaining, 234.511719 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: 3052000 3984.3631 20812.2609 14548.2333 250.2830 -203035.3972 2564.3325 0.0000 0.0000 52140.8898 -108735.0347 299.6544 -160875.9245 -108379.1153 300.1648 51.2381 76.5775 762437.2684 2.5877 2.7657 PRESSURE: 3052200 -246.228 -57.6228 79.9576 -57.6225 128.771 -56.387 79.9581 -56.3865 -146.93 GPRESSURE: 3052200 -188.402 -89.8772 131.514 -47.0822 140.397 -68.8184 69.5293 -53.5442 -130.498 PRESSAVG: 3052200 41.5423 -53.1688 -41.9902 -53.1688 -73.1109 -23.0565 -41.9901 -23.0565 -2.55635 GPRESSAVG: 3052200 43.1903 -51.2925 -41.017 -54.1184 -74.8211 -22.9681 -41.7946 -22.4311 -1.88883 TIMING: 3052200 CPU: 9535.01, 0.00314195/step Wall: 9535.01, 0.00314195/step, 1.69997 hours remaining, 234.511719 MB of memory in use. ENERGY: 3052200 4110.6591 20649.3592 14475.2115 258.4607 -203607.2279 2990.8499 0.0000 0.0000 52289.5730 -108833.1144 300.5089 -161122.6875 -108468.4141 300.4966 -88.1290 -59.5007 762375.6571 -11.3750 -11.1732 LDB: ============= START OF LOAD BALANCING ============== 9547.49 LDB: ============== END OF LOAD BALANCING =============== 9547.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9547.49 LDB: ============= START OF LOAD BALANCING ============== 9547.81 LDB: Largest compute 7007 load 0.029425 is 15.1% of average load 0.195128 LDB: Average compute 0.004400 is 2.3% of average load 0.195128 LDB: TIME 9547.81 LOAD: AVG 0.195128 MAX 0.217702 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 9547.81 LOAD: AVG 0.195128 MAX 0.217702 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: TIME 9547.81 LOAD: AVG 0.195128 MAX 0.217702 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: ============== END OF LOAD BALANCING =============== 9547.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9547.82 PRESSURE: 3052400 -17.7484 -59.645 168.326 -59.6446 -164.421 341.451 168.326 341.453 7.81225 GPRESSURE: 3052400 -39.9087 -150.354 199.515 -116.529 -76.7702 417.147 107.13 272.298 25.9558 PRESSAVG: 3052400 -21.459 30.6392 18.0213 30.6392 3.55186 22.2681 18.0213 22.2681 19.8441 GPRESSAVG: 3052400 -21.6478 29.0652 17.1074 30.7429 4.56343 24.1705 16.6555 21.2603 18.9258 TIMING: 3052400 CPU: 9535.65, 0.00319575/step Wall: 9535.65, 0.00319575/step, 1.7289 hours remaining, 233.742188 MB of memory in use. ENERGY: 3052400 3970.3324 20684.8888 14487.9848 245.7076 -203220.7457 2427.6610 0.0000 0.0000 52272.0748 -109132.0963 300.4083 -161404.1711 -108764.2716 300.3990 -58.1189 -30.2410 759656.0370 0.6456 0.6138 PRESSURE: 3052600 -393.561 72.9902 29.1488 72.9917 -6.70996 8.27356 29.1486 8.27318 -89.4985 GPRESSURE: 3052600 -257.489 91.4473 84.3286 -64.693 -58.198 34.2849 -20.1069 53.4478 -72.0964 PRESSAVG: 3052600 28.4249 -2.49445 14.2245 -2.49443 -12.7371 -27.6752 14.2245 -27.6752 1.3869 GPRESSAVG: 3052600 27.6884 -2.28682 13.8845 -1.92069 -12.0723 -29.1402 14.5229 -27.1143 1.5412 TIMING: 3052600 CPU: 9536.28, 0.00313736/step Wall: 9536.28, 0.00313736/step, 1.69714 hours remaining, 233.742188 MB of memory in use. ENERGY: 3052600 4046.0763 20637.9647 14496.6042 251.4660 -203268.2534 2591.0000 0.0000 0.0000 52241.5629 -109003.5794 300.2330 -161245.1423 -108645.0975 300.1074 -163.2565 -129.2610 761454.5573 5.6916 5.7191 PRESSURE: 3052800 -190.374 147.128 176.735 147.128 313.612 -56.4395 176.735 -56.4397 -536.438 GPRESSURE: 3052800 -137.11 232.18 110.116 160.769 347.558 -98.7528 121.111 18.0166 -529.153 PRESSAVG: 3052800 29.5791 -3.63426 50.0457 -3.63429 11.0238 -8.77623 50.0457 -8.7762 32.5205 GPRESSAVG: 3052800 31.4503 -2.52594 49.1444 -3.35248 9.78645 -12.0425 50.7401 -5.58089 32.6235 TIMING: 3052800 CPU: 9536.91, 0.00312293/step Wall: 9536.91, 0.00312293/step, 1.68916 hours remaining, 233.742188 MB of memory in use. ENERGY: 3052800 3934.4085 20607.9735 14497.8343 239.1799 -203105.9692 2307.0581 0.0000 0.0000 52597.2014 -108922.3136 302.2768 -161519.5150 -108555.9407 300.7900 -137.7333 -106.2350 763407.9703 24.3745 24.6201 PRESSURE: 3053000 -71.0393 -46.3951 -81.5192 -46.3952 -22.491 18.7987 -81.5203 18.7989 234.672 GPRESSURE: 3053000 -49.8842 -24.1494 -119.992 32.0027 20.9079 62.9232 45.9753 57.429 252.428 PRESSAVG: 3053000 -74.2735 -17.6622 3.69086 -17.6622 52.6168 6.73222 3.69082 6.73218 -31.151 GPRESSAVG: 3053000 -75.5582 -16.8933 3.71574 -18.7951 53.4842 8.62768 3.59107 3.81505 -30.84 TIMING: 3053000 CPU: 9537.53, 0.00312838/step Wall: 9537.53, 0.00312838/step, 1.69193 hours remaining, 233.742188 MB of memory in use. ENERGY: 3053000 4046.0390 20551.4470 14494.8972 232.0032 -202850.4281 2412.4745 0.0000 0.0000 52297.7948 -108815.7725 300.5561 -161113.5673 -108447.8171 300.3298 47.0473 74.4840 762892.5896 -17.6026 -17.6380 PRESSURE: 3053200 -53.9927 61.4738 169.379 61.4744 251.98 -106.048 169.38 -106.048 -69.1615 GPRESSURE: 3053200 -31.2333 57.1894 157.217 91.7621 264.689 -120.467 40.6962 -125.437 -17.4432 PRESSAVG: 3053200 5.63004 27.567 -14.2831 27.567 51.8936 29.1498 -14.283 29.1497 3.00151 GPRESSAVG: 3053200 5.2517 27.1766 -11.7658 26.3409 51.8001 30.8105 -15.4036 28.2842 3.35713 TIMING: 3053200 CPU: 9538.16, 0.0031283/step Wall: 9538.16, 0.0031283/step, 1.69171 hours remaining, 233.742188 MB of memory in use. ENERGY: 3053200 4034.5816 20422.5006 14473.7233 266.6211 -203427.0879 2886.1949 0.0000 0.0000 52368.0228 -108975.4438 300.9597 -161343.4665 -108604.4610 300.2695 42.9420 72.0043 761626.4976 20.1751 20.1363 PRESSURE: 3053400 -279.059 21.9053 -102.35 21.9058 -290.455 -413.024 -102.35 -413.024 -143.087 GPRESSURE: 3053400 -203.821 98.3635 -65.7807 72.5827 -324.586 -365.458 -65.7639 -406.84 -94.5856 PRESSAVG: 3053400 1.39932 -9.97774 19.7971 -9.97764 7.69779 -21.4495 19.7971 -21.4496 -12.1949 GPRESSAVG: 3053400 0.635534 -9.34599 20.5846 -7.88243 9.26134 -22.3897 21.0118 -22.668 -12.5247 TIMING: 3053400 CPU: 9538.79, 0.00315499/step Wall: 9538.79, 0.00315499/step, 1.70597 hours remaining, 233.742188 MB of memory in use. ENERGY: 3053400 4049.4821 20620.5627 14455.6508 255.3458 -203111.1504 2554.9442 0.0000 0.0000 52019.8212 -109155.3436 298.9586 -161175.1648 -108806.1574 300.4125 -237.5335 -207.6639 763871.3734 -1.0326 -0.8759 PRESSURE: 3053600 189.778 -109.436 -49.7606 -109.437 -56.9363 -73.7361 -49.7595 -73.7367 120.04 GPRESSURE: 3053600 243.324 -240.498 -121.248 23.7438 51.66 -35.4485 -61.4799 -109.275 45.3118 PRESSAVG: 3053600 -15.2437 17.0093 -47.5878 17.0094 -2.46574 -12.4535 -47.5878 -12.4534 11.6118 GPRESSAVG: 3053600 -13.5067 14.6379 -49.7706 19.0372 -3.04577 -11.8766 -46.7031 -11.4218 10.7642 TIMING: 3053600 CPU: 9539.42, 0.00314005/step Wall: 9539.42, 0.00314005/step, 1.69772 hours remaining, 233.742188 MB of memory in use. ENERGY: 3053600 4125.7364 20395.2111 14418.4764 216.7980 -203473.4102 2953.8039 0.0000 0.0000 52180.2499 -109183.1344 299.8806 -161363.3843 -108828.6707 299.3684 84.2940 113.4321 761843.0004 -2.0325 -1.9294 PRESSURE: 3053800 -154.273 21.4925 -301.058 21.4921 -80.1851 15.9347 -301.058 15.934 -31.6855 GPRESSURE: 3053800 -77.8454 -22.3487 -214.133 7.43689 29.8572 35.1268 -264.145 -3.06531 -124.985 PRESSAVG: 3053800 -30.3414 -44.4846 -11.9254 -44.4846 17.8527 28.9352 -11.9253 28.9352 -9.30984 GPRESSAVG: 3053800 -31.8357 -44.2477 -10.9637 -46.1605 18.2949 29.7359 -14.6315 27.6902 -8.3397 TIMING: 3053800 CPU: 9540.04, 0.0031293/step Wall: 9540.04, 0.0031293/step, 1.69174 hours remaining, 233.742188 MB of memory in use. ENERGY: 3053800 4039.6403 20524.5619 14440.3391 267.5579 -203058.5666 2524.1795 0.0000 0.0000 52298.7944 -108963.4936 300.5619 -161262.2880 -108601.9405 299.5216 -88.7144 -57.6578 761123.6968 -7.2662 -7.2935 PRESSURE: 3054000 -157.552 60.1172 51.751 60.1169 -347.283 208.781 51.7507 208.78 -46.3357 GPRESSURE: 3054000 -84.66 203.857 66.7942 4.85646 -334.444 265.116 61.4728 225.757 -50.6255 PRESSAVG: 3054000 -15.0251 67.4583 -9.40837 67.4584 16.1343 22.0325 -9.4084 22.0324 -9.13935 GPRESSAVG: 3054000 -14.1282 67.2924 -9.8295 68.474 15.487 22.6697 -8.35689 22.5689 -9.3703 TIMING: 3054000 CPU: 9540.67, 0.00314356/step Wall: 9540.67, 0.00314356/step, 1.69927 hours remaining, 233.742188 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: 3054000 4038.9311 20680.0295 14435.2636 245.6378 -202804.4344 2417.4015 0.0000 0.0000 52044.3367 -108942.8342 299.0995 -160987.1709 -108585.1761 300.0861 -183.7233 -156.5766 762948.7635 -2.6767 -2.6705 PRESSURE: 3054200 104.728 -71.7664 61.9722 -71.7664 182.197 113.265 61.9727 113.265 7.50398 GPRESSURE: 3054200 148.137 -46.4176 -16.8197 -100.471 163.106 157.117 105.806 22.9966 66.096 PRESSAVG: 3054200 27.2203 12.7154 -6.46759 12.7154 14.1528 -9.60825 -6.46758 -9.60821 6.84572 GPRESSAVG: 3054200 28.5008 14.2992 -6.95491 12.4941 12.0938 -10.5633 -5.64014 -10.7024 7.45147 TIMING: 3054200 CPU: 9541.3, 0.00313282/step Wall: 9541.3, 0.00313282/step, 1.69329 hours remaining, 233.742188 MB of memory in use. ENERGY: 3054200 3948.8325 20740.5242 14468.7985 239.4586 -202704.1622 2472.4203 0.0000 0.0000 52076.1427 -108757.9855 299.2823 -160834.1282 -108398.2626 300.3487 98.1429 125.7795 763197.8643 16.0729 16.0154 PRESSURE: 3054400 346.373 -35.8771 -181.203 -35.8765 -320.285 245.048 -181.203 245.048 312.46 GPRESSURE: 3054400 287.028 -53.1967 -143.231 -83.5989 -220.955 166.912 -171.598 288.18 368.747 PRESSAVG: 3054400 -33.9176 12.3775 -47.2701 12.3775 18.8831 -22.446 -47.2701 -22.446 13.4916 GPRESSAVG: 3054400 -34.4445 11.8377 -46.9023 12.2482 20.4318 -22.7956 -46.1729 -20.6999 12.4337 TIMING: 3054400 CPU: 9541.93, 0.00313942/step Wall: 9541.93, 0.00313942/step, 1.69668 hours remaining, 233.742188 MB of memory in use. ENERGY: 3054400 3962.2570 20780.2466 14456.9966 246.7922 -202740.3550 2427.2532 0.0000 0.0000 52217.4852 -108649.3242 300.0946 -160866.8094 -108291.6650 300.1883 112.8492 144.9397 763617.4960 -0.5143 -0.5264 PRESSURE: 3054600 -166.397 -139.606 -10.7471 -139.606 -90.4896 -107.363 -10.7478 -107.364 3.38815 GPRESSURE: 3054600 -96.7488 -8.49034 -49.5367 -94.9796 -92.8049 -230.193 96.281 -43.9207 31.9734 PRESSAVG: 3054600 -36.6459 -31.6813 -9.05201 -31.6813 57.4024 42.0232 -9.05201 42.0232 -19.1401 GPRESSAVG: 3054600 -37.3798 -31.7702 -7.71366 -30.2774 58.1446 40.3273 -12.6196 43.8021 -18.6943 TIMING: 3054600 CPU: 9542.56, 0.00316771/step Wall: 9542.56, 0.00316771/step, 1.71179 hours remaining, 233.742188 MB of memory in use. ENERGY: 3054600 3984.8901 20601.2084 14446.2249 235.4903 -202500.9695 2189.6486 0.0000 0.0000 52229.6817 -108813.8255 300.1647 -161043.5072 -108454.1160 300.4186 -84.4994 -52.5268 763700.3194 0.5388 0.6901 PRESSURE: 3054800 292.117 -202.476 -260.512 -202.477 268.104 -5.57292 -260.512 -5.57131 229.298 GPRESSURE: 3054800 202.015 -245.988 -307.212 -240.712 329.309 -73.19 -153.014 -10.009 339.097 PRESSAVG: 3054800 -19.8457 -9.6181 -42.6123 -9.61811 57.926 1.99117 -42.6124 1.99122 15.3347 GPRESSAVG: 3054800 -19.3068 -10.588 -44.0706 -9.55525 56.8878 2.61854 -38.9907 0.936062 15.8621 TIMING: 3054800 CPU: 9543.19, 0.00317009/step Wall: 9543.19, 0.00317009/step, 1.71291 hours remaining, 233.742188 MB of memory in use. ENERGY: 3054800 4000.6437 20480.8477 14443.3580 239.1562 -202900.9883 2626.0476 0.0000 0.0000 52187.8884 -108923.0468 299.9245 -161110.9351 -108564.5175 299.9761 263.1728 290.1404 762941.4557 17.8050 17.8144 PRESSURE: 3055000 52.7272 -156.729 274.499 -156.729 166.45 3.5462 274.499 3.54576 -154.439 GPRESSURE: 3055000 85.0656 -114.886 214.459 58.1842 207.806 79.888 156.789 -74.9466 -128.704 PRESSAVG: 3055000 -40.814 -56.7244 -30.4235 -56.7244 48.4003 -39.9551 -30.4234 -39.955 19.9071 GPRESSAVG: 3055000 -41.1038 -53.944 -30.4764 -57.003 48.7121 -38.2254 -30.8959 -41.653 20.3404 TIMING: 3055000 CPU: 9543.83, 0.00316387/step Wall: 9543.83, 0.00316387/step, 1.70937 hours remaining, 233.742188 MB of memory in use. ENERGY: 3055000 3975.2268 20516.0026 14484.8906 252.1231 -202804.4234 2535.9277 0.0000 0.0000 52116.2441 -108924.0086 299.5128 -161040.2526 -108555.9148 299.7694 21.5794 54.7224 763113.7920 9.1644 9.3162 PRESSURE: 3055200 -36.9698 160.704 14.2003 160.705 -239.595 98.0673 14.2 98.068 135.27 GPRESSURE: 3055200 30.8884 54.5108 45.4285 164.89 -158.129 64.4869 75.8293 195.841 66.9657 PRESSAVG: 3055200 -18.8633 56.8001 0.501782 56.8001 7.19907 -22.0302 0.501853 -22.0302 21.4819 GPRESSAVG: 3055200 -18.8129 54.3945 0.232543 58.5308 6.83479 -24.6578 -0.565184 -21.3471 21.1482 TIMING: 3055200 CPU: 9544.46, 0.00316382/step Wall: 9544.46, 0.00316382/step, 1.70916 hours remaining, 233.742188 MB of memory in use. ENERGY: 3055200 4030.1361 20550.8233 14449.3744 253.6683 -203236.6077 2716.0133 0.0000 0.0000 52217.1271 -109019.4652 300.0925 -161236.5923 -108649.1556 299.9551 -47.0985 -20.0917 762243.5595 3.2726 3.0567 PRESSURE: 3055400 148.908 52.9454 3.36814 52.9458 26.2948 34.8886 3.36789 34.8873 170.18 GPRESSURE: 3055400 192.465 15.5245 -4.80286 36.0074 25.6666 3.78496 -0.752158 25.5816 219.254 PRESSAVG: 3055400 -23.2781 17.7172 29.7532 17.7172 39.6824 -12.4309 29.7531 -12.4309 13.7434 GPRESSAVG: 3055400 -24.8685 20.3482 30.4743 14.151 40.132 -12.1586 28.5128 -10.5484 15.0812 TIMING: 3055400 CPU: 9545.09, 0.00313574/step Wall: 9545.09, 0.00313573/step, 1.69382 hours remaining, 233.742188 MB of memory in use. ENERGY: 3055400 4101.5928 20657.7661 14437.0147 260.3542 -203169.8478 2680.6515 0.0000 0.0000 52138.6305 -108893.8380 299.6414 -161032.4685 -108530.3169 300.3205 115.1276 145.7953 760283.7749 10.0492 10.1149 PRESSURE: 3055600 20.5627 256.211 68.5461 256.211 6.66015 -165.512 68.5459 -165.512 320.885 GPRESSURE: 3055600 61.2083 155.673 33.339 231.528 -30.0283 -205.457 205.341 39.5526 374.837 PRESSAVG: 3055600 -29.3876 43.822 -18.2668 43.822 31.8447 22.3548 -18.2668 22.3547 17.078 GPRESSAVG: 3055600 -28.6986 42.3687 -17.7564 44.8675 32.076 23.4675 -17.7598 22.4138 16.1841 TIMING: 3055600 CPU: 9545.71, 0.00312603/step Wall: 9545.71, 0.00312603/step, 1.6884 hours remaining, 233.742188 MB of memory in use. ENERGY: 3055600 3971.4386 20489.3948 14402.6037 241.5744 -203071.9562 2538.2679 0.0000 0.0000 52558.8095 -108869.8673 302.0562 -161428.6768 -108499.7072 300.3982 116.0358 135.3390 762129.0291 6.5117 6.5205 PRESSURE: 3055800 -15.1428 -54.5785 57.5096 -54.5785 -187.16 127.732 57.5095 127.733 387.881 GPRESSURE: 3055800 32.0292 46.3683 56.9016 -7.84616 -175.616 69.5573 64.3886 134.161 382.723 PRESSAVG: 3055800 12.7707 46.8262 18.1137 46.8261 9.4033 25.7652 18.1138 25.7652 14.8809 GPRESSAVG: 3055800 12.784 47.389 17.5316 48.5018 8.38344 26.3936 18.0228 24.2051 15.5057 TIMING: 3055800 CPU: 9546.34, 0.00313023/step Wall: 9546.34, 0.00313023/step, 1.6905 hours remaining, 233.742188 MB of memory in use. ENERGY: 3055800 3975.9167 20440.4767 14424.4184 249.9576 -203046.9110 2407.8670 0.0000 0.0000 52391.0181 -109157.2565 301.0919 -161548.2746 -108798.3820 299.7188 61.8594 79.7120 760922.8643 12.3516 12.2244 PRESSURE: 3056000 -241.745 176.331 262.604 176.331 -138.528 -75.0983 262.603 -75.0992 -127.302 GPRESSURE: 3056000 -227.315 96.221 204.308 184.987 -56.7663 11.9832 188.988 -134.964 -128.923 PRESSAVG: 3056000 -17.5783 0.367398 -0.446947 0.367361 -12.869 2.65021 -0.446872 2.65027 -1.71717 GPRESSAVG: 3056000 -16.6296 0.0774667 -0.440157 -0.901917 -12.2936 2.49045 -2.23246 3.40575 -2.82856 TIMING: 3056000 CPU: 9546.96, 0.0031287/step Wall: 9546.96, 0.0031287/step, 1.6895 hours remaining, 233.742188 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: 3056000 4027.7032 20450.6718 14431.7266 258.6364 -202684.3911 2361.9429 0.0000 0.0000 52075.3475 -109078.3627 299.2777 -161153.7102 -108717.6693 299.6742 -169.1919 -137.6680 762925.8326 -10.7215 -10.5839 PRESSURE: 3056200 138.031 11.6511 -155.559 11.6505 -213.696 37.515 -155.559 37.5158 271.423 GPRESSURE: 3056200 162.937 18.7703 -146.537 -81.7457 -144.81 117.517 -69.4318 -16.0756 279.756 PRESSAVG: 3056200 10.9244 45.0543 -63.8524 45.0543 23.4041 -10.6206 -63.8525 -10.6206 -6.94907 GPRESSAVG: 3056200 8.9774 43.9059 -65.6399 46.6797 25.4388 -9.56467 -60.8123 -13.2909 -6.76712 TIMING: 3056200 CPU: 9547.59, 0.00312484/step Wall: 9547.59, 0.00312484/step, 1.68724 hours remaining, 233.742188 MB of memory in use. ENERGY: 3056200 3993.9078 20314.0733 14467.7714 248.7329 -203521.3526 2852.5693 0.0000 0.0000 52235.2227 -109409.0752 300.1965 -161644.2980 -109036.5852 299.5353 65.2527 99.2941 761703.0060 9.1265 9.2164 LDB: ============= START OF LOAD BALANCING ============== 9560.07 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9560.07 LDB: =============== DONE WITH MIGRATION ================ 9560.07 LDB: ============= START OF LOAD BALANCING ============== 9560.38 LDB: Largest compute 6996 load 0.028564 is 14.6% of average load 0.195248 LDB: Average compute 0.004373 is 2.2% of average load 0.195248 LDB: TIME 9560.39 LOAD: AVG 0.195248 MAX 0.220522 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.766 MB LDB: TIME 9560.39 LOAD: AVG 0.195248 MAX 0.220522 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.965 MB LDB: TIME 9560.39 LOAD: AVG 0.195248 MAX 0.215359 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.965 MB LDB: ============== END OF LOAD BALANCING =============== 9560.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9560.4 PRESSURE: 3056400 -586.749 158.158 2.86542 158.158 -76.2485 78.7479 2.86529 78.7472 -168.772 GPRESSURE: 3056400 -503.296 128.268 -18.9097 77.9489 -105.925 107.94 24.5465 163.692 -147.605 PRESSAVG: 3056400 -3.71934 21.6953 -7.23344 21.6953 47.4715 -7.57392 -7.23346 -7.57396 -20.7934 GPRESSAVG: 3056400 -4.06099 22.2612 -5.37296 20.2999 45.7003 -10.832 -8.40188 -3.15854 -19.3818 TIMING: 3056400 CPU: 9548.23, 0.00321587/step Wall: 9548.23, 0.00321587/step, 1.73621 hours remaining, 234.765625 MB of memory in use. ENERGY: 3056400 3987.1868 20443.0597 14423.0603 254.0659 -202912.4238 2439.9073 0.0000 0.0000 51951.1453 -109413.9985 298.5639 -161365.1438 -109048.8568 299.0021 -277.2563 -252.2755 764356.9579 7.6529 7.4192 PRESSURE: 3056600 -51.0848 21.3492 19.3225 21.3489 -33.067 -209.674 19.3228 -209.674 57.6952 GPRESSURE: 3056600 38.2324 166.711 83.0329 18.0884 -81.5749 -283.975 -85.3623 -146.364 89.3817 PRESSAVG: 3056600 -35.1086 37.0825 5.90899 37.0825 21.3964 -8.80116 5.90905 -8.80116 -2.30274 GPRESSAVG: 3056600 -33.988 37.2266 5.62809 37.4282 20.9458 -7.37279 5.01264 -10.0537 -3.27889 TIMING: 3056600 CPU: 9548.86, 0.00314857/step Wall: 9548.86, 0.00314857/step, 1.6997 hours remaining, 234.968750 MB of memory in use. ENERGY: 3056600 3927.9894 20373.6809 14481.8232 267.9695 -202983.0332 2470.3396 0.0000 0.0000 51900.3558 -109560.8748 298.2721 -161461.2306 -109196.3761 298.8040 -8.8189 15.3464 762540.6591 -5.3383 -5.4404 PRESSURE: 3056800 160.476 -48.8583 44.336 -48.8587 301.145 -121.905 44.3365 -121.905 125.71 GPRESSURE: 3056800 171.489 69.6709 46.0818 6.44545 341.277 -8.26616 -87.2647 -163.275 157.25 PRESSAVG: 3056800 -3.59707 10.051 -40.9203 10.0509 0.336602 30.1369 -40.9204 30.137 -16.0645 GPRESSAVG: 3056800 -4.19825 10.517 -41.9621 11.2062 1.25852 29.6225 -39.0347 30.6758 -16.2016 TIMING: 3056800 CPU: 9549.49, 0.00313969/step Wall: 9549.49, 0.00313969/step, 1.69473 hours remaining, 234.968750 MB of memory in use. ENERGY: 3056800 3897.9765 20393.6488 14448.8408 216.3036 -203843.7683 3022.4556 0.0000 0.0000 52150.2625 -109714.2807 299.7083 -161864.5431 -109354.8503 298.0651 195.7769 223.3383 762188.9000 -6.4417 -6.3805 PRESSURE: 3057000 137.359 -25.1764 121.444 -25.176 109.269 215.922 121.445 215.923 67.5749 GPRESSURE: 3057000 115.172 -12.4464 9.29067 -1.14125 164.863 104.7 59.0453 272.709 115.667 PRESSAVG: 3057000 -18.2492 45.4176 -43.1104 45.4177 19.0241 16.3254 -43.1104 16.3254 -3.5916 GPRESSAVG: 3057000 -19.5026 43.9198 -42.0864 45.3127 19.6839 15.8473 -44.8725 15.3989 -2.795 TIMING: 3057000 CPU: 9550.12, 0.00313338/step Wall: 9550.12, 0.00313338/step, 1.69115 hours remaining, 234.968750 MB of memory in use. ENERGY: 3057000 3919.8886 20607.5845 14334.8471 242.6484 -203107.9718 2667.2709 0.0000 0.0000 51752.6266 -109583.1057 297.4231 -161335.7323 -109233.3911 298.5287 104.7344 131.9002 762846.9232 -0.9389 -0.8712 PRESSURE: 3057200 216.994 167.329 -6.89105 167.33 74.6375 -76.296 -6.89115 -76.2954 552.071 GPRESSURE: 3057200 288.392 156.066 19.3843 193.461 116.867 -122.778 -114.977 -15.7621 516.233 PRESSAVG: 3057200 -8.97553 34.3357 26.4041 34.3357 47.8623 31.6566 26.4041 31.6567 7.5806 GPRESSAVG: 3057200 -7.9441 34.6611 25.0138 32.4849 46.7665 32.0588 27.2598 31.4763 7.27581 TIMING: 3057200 CPU: 9550.75, 0.0031505/step Wall: 9550.75, 0.0031505/step, 1.70022 hours remaining, 234.968750 MB of memory in use. ENERGY: 3057200 3927.2935 20594.9326 14508.0185 233.9841 -203826.5353 3121.9073 0.0000 0.0000 52020.3451 -109420.0542 298.9616 -161440.3993 -109062.7183 298.7222 281.2341 307.1641 759401.1895 15.4891 15.3661 PRESSURE: 3057400 189.986 12.3477 -103.832 12.3472 292.15 -316.335 -103.832 -316.336 -50.139 GPRESSURE: 3057400 58.6947 -8.03147 -84.7653 94.1876 385.621 -204.668 -46.4201 -150.935 56.7946 PRESSAVG: 3057400 23.7976 9.27909 -10.5416 9.27903 -7.36143 -26.6927 -10.5416 -26.6928 10.8191 GPRESSAVG: 3057400 22.8049 9.47533 -10.3415 11.6228 -6.38624 -27.5039 -10.9099 -25.5903 10.2845 TIMING: 3057400 CPU: 9551.37, 0.00314542/step Wall: 9551.37, 0.00314541/step, 1.6973 hours remaining, 234.968750 MB of memory in use. ENERGY: 3057400 3910.0074 20497.8170 14444.0748 255.2868 -203321.6002 2841.9523 0.0000 0.0000 52005.1225 -109367.3394 298.8742 -161372.4619 -109008.9165 298.6135 143.9990 167.0369 762713.6314 9.0851 8.9011 PRESSURE: 3057600 58.6698 -56.7923 21.6842 -56.7927 -17.1883 -66.7413 21.6841 -66.7419 -222.343 GPRESSURE: 3057600 37.7794 -97.4471 26.5556 -41.6472 24.4511 -89.5945 77.8647 41.0233 -142.765 PRESSAVG: 3057600 1.51792 -12.437 14.4745 -12.437 28.3287 -11.8672 14.4745 -11.8672 3.12804 GPRESSAVG: 3057600 1.89493 -12.6844 14.3691 -15.1214 28.3927 -10.9437 13.8639 -12.1293 2.80303 TIMING: 3057600 CPU: 9552, 0.00313307/step Wall: 9552, 0.00313307/step, 1.69046 hours remaining, 234.968750 MB of memory in use. ENERGY: 3057600 4037.2187 20481.7493 14500.7883 233.0343 -203225.4572 2587.2838 0.0000 0.0000 51899.0914 -109486.2915 298.2648 -161385.3829 -109118.0938 298.9533 -60.2874 -26.8448 761899.9543 10.9916 11.0302 PRESSURE: 3057800 -25.0849 77.0436 -44.4263 77.0438 -201.549 103.977 -44.427 103.978 160.64 GPRESSURE: 3057800 123.559 238.464 -20.1679 45.4811 -240.824 -3.58186 -22.4281 111.308 139.635 PRESSAVG: 3057800 48.3804 -22.0306 -19.1074 -22.0306 -37.9267 -83.8143 -19.1074 -83.8143 20.6847 GPRESSAVG: 3057800 49.8546 -21.0184 -17.9831 -19.4239 -39.0696 -85.3763 -17.9443 -84.2564 20.2055 TIMING: 3057800 CPU: 9552.63, 0.00313746/step Wall: 9552.63, 0.00313746/step, 1.69266 hours remaining, 234.968750 MB of memory in use. ENERGY: 3057800 3958.3546 20518.8341 14477.4792 279.1274 -203511.8356 2940.3604 0.0000 0.0000 51788.8896 -109548.7903 297.6315 -161337.6799 -109186.4672 298.3940 -21.9982 7.4564 762721.8921 10.3795 10.3302 PRESSURE: 3058000 242.475 194.047 -73.5442 194.046 437.373 -202.302 -73.5444 -202.302 265.956 GPRESSURE: 3058000 268.654 75.4687 -101.886 213.318 462.636 -160.35 -94.1503 -236.454 316.4 PRESSAVG: 3058000 -21.9654 5.93127 -1.36078 5.9313 62.5868 -43.374 -1.36077 -43.3742 7.27234 GPRESSAVG: 3058000 -21.6397 3.36976 -1.07157 4.40292 62.5768 -41.7334 -1.84282 -43.1693 7.49564 TIMING: 3058000 CPU: 9553.26, 0.00314749/step Wall: 9553.26, 0.00314749/step, 1.6979 hours remaining, 234.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3058000 3955.6429 20448.6858 14469.2186 245.8472 -203429.2659 2883.8771 0.0000 0.0000 52053.0252 -109372.9691 299.1495 -161425.9943 -109012.6319 298.8203 315.2677 349.2300 762231.6788 15.9646 16.1443 PRESSURE: 3058200 93.799 -98.4885 21.4935 -98.4893 90.6813 202.219 21.4938 202.22 108.599 GPRESSURE: 3058200 142.846 -152.086 -24.7455 8.90332 126.772 163.808 7.5092 79.0641 98.3362 PRESSAVG: 3058200 21.5132 -27.2406 2.20571 -27.2406 -13.7235 -57.1788 2.20568 -57.1789 -15.5049 GPRESSAVG: 3058200 20.7632 -26.3129 -0.12495 -27.2361 -13.1729 -57.9705 2.08741 -59.5557 -14.8615 TIMING: 3058200 CPU: 9553.89, 0.00313592/step Wall: 9553.89, 0.00313592/step, 1.69148 hours remaining, 234.968750 MB of memory in use. ENERGY: 3058200 3890.8518 20551.2912 14460.5901 229.3071 -203313.4979 2629.8688 0.0000 0.0000 52079.3195 -109472.2694 299.3006 -161551.5889 -109120.1821 298.7255 97.6932 122.6514 762348.9382 -2.5717 -2.4237 PRESSURE: 3058400 -176.174 84.0587 276.281 84.0588 -268.288 118.016 276.28 118.016 -120.955 GPRESSURE: 3058400 -160.886 56.1073 217.503 115.741 -317.941 112.506 108.046 -33.9238 -2.76553 PRESSAVG: 3058400 39.2367 8.45947 -7.01334 8.45945 -31.9212 -39.5563 -7.01333 -39.5562 0.759922 GPRESSAVG: 3058400 41.2838 8.24507 -6.04727 7.92522 -32.9289 -38.8833 -9.66828 -36.9664 0.351519 TIMING: 3058400 CPU: 9554.51, 0.00314823/step Wall: 9554.51, 0.00314823/step, 1.69795 hours remaining, 234.968750 MB of memory in use. ENERGY: 3058400 4051.4152 20582.2667 14467.8698 232.8320 -203427.4603 2715.4986 0.0000 0.0000 51867.6177 -109509.9601 298.0839 -161377.5778 -109161.7763 299.1943 -188.4722 -160.5308 762972.5468 2.6918 2.9021 PRESSURE: 3058600 24.8989 -169.973 -183.52 -169.972 368.726 25.3528 -183.52 25.3514 -24.9147 GPRESSURE: 3058600 11.4775 -160.057 -194.195 -127.12 449.998 -23.5238 -126.724 97.8604 -5.09295 PRESSAVG: 3058600 -19.545 -21.9827 20.4339 -21.9826 25.1316 -31.0629 20.4339 -31.063 11.2764 GPRESSAVG: 3058600 -20.2435 -21.0644 20.347 -20.4424 26.2677 -30.4684 23.9198 -32.8621 11.0157 TIMING: 3058600 CPU: 9555.14, 0.00313587/step Wall: 9555.14, 0.00313587/step, 1.69111 hours remaining, 234.968750 MB of memory in use. ENERGY: 3058600 3948.1670 20401.6550 14464.2044 247.7212 -202846.2572 2532.5324 0.0000 0.0000 51866.8244 -109385.1528 298.0794 -161251.9772 -109016.1667 298.6823 122.9034 152.1274 761921.9038 5.6210 5.6799 PRESSURE: 3058800 181.518 -92.7167 54.3088 -92.7161 -138.182 -85.6063 54.3093 -85.6076 79.9101 GPRESSURE: 3058800 257.455 -111.072 51.4009 -188.16 -114.798 -35.3219 71.21 -111.997 37.2392 PRESSAVG: 3058800 14.0675 -34.9161 -41.5299 -34.9161 -12.5153 -51.4139 -41.5299 -51.414 -12.9686 GPRESSAVG: 3058800 13.9622 -35.2492 -39.6596 -36.7694 -11.992 -51.2523 -42.389 -51.1792 -12.8609 TIMING: 3058800 CPU: 9555.77, 0.00313278/step Wall: 9555.77, 0.00313278/step, 1.68926 hours remaining, 234.968750 MB of memory in use. ENERGY: 3058800 4093.7638 20522.5704 14382.6151 254.7167 -203247.3003 2662.8550 0.0000 0.0000 52192.9731 -109137.8063 299.9537 -161330.7794 -108775.8276 299.1149 41.0820 59.9651 762487.0675 -3.8055 -3.6302 PRESSURE: 3059000 -255.494 32.2408 115.476 32.2406 -264.738 16.7584 115.477 16.7581 -266.772 GPRESSURE: 3059000 -186.031 86.6656 109.192 141.608 -341.369 103.497 92.4164 -47.523 -176.201 PRESSAVG: 3059000 32.2859 8.94174 -73.7874 8.94182 1.59988 -6.14253 -73.7874 -6.14253 -4.81317 GPRESSAVG: 3059000 30.5445 9.92126 -75.3785 10.4155 1.60557 -6.54138 -74.0934 -5.36068 -3.2307 TIMING: 3059000 CPU: 9556.39, 0.00313211/step Wall: 9556.39, 0.00313211/step, 1.68873 hours remaining, 234.968750 MB of memory in use. ENERGY: 3059000 3914.8995 20631.9261 14398.6701 243.0305 -203185.7768 2686.6634 0.0000 0.0000 52117.4961 -109193.0909 299.5200 -161310.5871 -108830.0751 299.0995 -262.3343 -234.5337 764552.4384 9.6909 9.6398 PRESSURE: 3059200 0.87726 7.731 -294.476 7.73158 -261.649 30.5232 -294.475 30.5245 -479.847 GPRESSURE: 3059200 17.1662 10.0081 -269.322 57.9045 -265.978 56.3231 -310.196 -68.6465 -425.179 PRESSAVG: 3059200 -4.93603 29.3751 -7.9546 29.375 -7.52005 -37.4961 -7.95456 -37.4961 -17.4101 GPRESSAVG: 3059200 -4.93194 29.6129 -8.77916 28.2424 -6.13342 -37.9415 -6.95241 -38.0314 -18.5622 TIMING: 3059200 CPU: 9557.02, 0.0031347/step Wall: 9557.02, 0.0031347/step, 1.68995 hours remaining, 234.968750 MB of memory in use. ENERGY: 3059200 4070.1790 20497.2730 14410.4929 236.9551 -203015.2816 2456.2600 0.0000 0.0000 52068.0790 -109276.0427 299.2360 -161344.1216 -108931.9012 299.5495 -246.8728 -224.6638 763453.5258 -9.9554 -9.8758 PRESSURE: 3059400 5.87813 -114.058 30.3631 -114.058 426.066 -161.207 30.3635 -161.206 37.9113 GPRESSURE: 3059400 58.7851 -33.0364 68.0471 -170.575 500.985 -101.802 -78.3938 -36.8589 20.425 PRESSAVG: 3059400 -25.9558 -6.44539 -68.4325 -6.44537 2.45835 8.40561 -68.4326 8.40555 16.0628 GPRESSAVG: 3059400 -24.1232 -6.60083 -66.0413 -5.52115 0.529492 9.8098 -70.0949 8.04261 16.0099 TIMING: 3059400 CPU: 9557.65, 0.00313352/step Wall: 9557.65, 0.00313351/step, 1.68914 hours remaining, 234.968750 MB of memory in use. ENERGY: 3059400 3973.2924 20550.0335 14446.7069 234.5510 -203508.7939 3021.9194 0.0000 0.0000 51816.2367 -109466.0540 297.7886 -161282.2907 -109111.6555 298.7447 156.6185 193.3983 762942.4589 -2.4782 -2.5279 PRESSURE: 3059600 -355.782 -45.0687 -73.5331 -45.0685 -78.9055 101.751 -73.5327 101.75 -71.8452 GPRESSURE: 3059600 -365.711 -94.5775 -1.36281 70.8139 -31.1938 100.543 -77.153 100.177 -20.1269 PRESSAVG: 3059600 -12.33 35.4444 16.8169 35.4444 34.5584 -29.6093 16.817 -29.6093 -2.81098 GPRESSAVG: 3059600 -13.3192 36.256 17.3135 34.1053 34.8676 -30.6096 18.6469 -29.0612 -2.08733 TIMING: 3059600 CPU: 9558.28, 0.00314397/step Wall: 9558.28, 0.00314397/step, 1.6946 hours remaining, 234.968750 MB of memory in use. ENERGY: 3059600 4005.7539 20511.5083 14400.8516 249.3948 -203067.6036 2558.0181 0.0000 0.0000 51975.2221 -109366.8547 298.7023 -161342.0769 -109006.8533 299.0403 -168.8441 -139.0107 762243.8705 6.4725 6.4870 PRESSURE: 3059800 -27.2896 15.0451 -17.7167 15.0444 -102.029 284.311 -17.7169 284.311 676.183 GPRESSURE: 3059800 7.52338 33.4314 53.7586 13.9755 -26.5283 178.435 -43.6523 146.069 664.544 PRESSAVG: 3059800 -36.3469 -31.748 -15.5877 -31.748 15.9386 36.6978 -15.5876 36.6977 25.0342 GPRESSAVG: 3059800 -35.0856 -32.2662 -18.4572 -29.4174 16.361 37.4372 -14.7643 34.8898 23.625 TIMING: 3059800 CPU: 9558.9, 0.00313211/step Wall: 9558.9, 0.00313211/step, 1.68803 hours remaining, 234.968750 MB of memory in use. ENERGY: 3059800 3972.1179 20442.4914 14516.2190 258.4167 -203545.8124 3083.5112 0.0000 0.0000 51656.5305 -109616.5257 296.8708 -161273.0563 -109250.5524 298.8042 182.2883 215.1795 763807.9462 1.5420 1.6335 PRESSURE: 3060000 -446.626 80.4114 -3.83971 80.4117 -384.657 53.2644 -3.84074 53.2644 -10.7363 GPRESSURE: 3060000 -407.571 28.7246 -6.74229 53.5527 -295.962 159.336 -12.9369 62.5011 -34.382 PRESSAVG: 3060000 37.5968 -30.6326 -48.6847 -30.6327 -24.2743 -18.7494 -48.6847 -18.7494 -3.34119 GPRESSAVG: 3060000 36.2452 -31.4909 -47.9011 -31.9308 -24.5138 -19.2744 -50.5044 -16.5028 -1.89982 TIMING: 3060000 CPU: 9559.53, 0.00315066/step Wall: 9559.53, 0.00315066/step, 1.69786 hours remaining, 234.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3060000 3908.6676 20438.5847 14405.9911 248.0785 -203334.8311 2546.5338 0.0000 0.0000 52261.1945 -109525.7809 300.3458 -161786.9755 -109155.6670 298.8879 -280.6733 -245.9719 764322.9754 3.3271 3.2772 PRESSURE: 3060200 -56.3689 -122.538 -123.379 -122.539 -197.579 33.0367 -123.38 33.0362 -18.8694 GPRESSURE: 3060200 17.4697 -60.601 -148.406 -140.892 -106.783 -81.0175 -227.403 65.1732 -105.488 PRESSAVG: 3060200 55.8631 48.7785 -19.2238 48.7785 -27.7722 -7.99216 -19.2238 -7.9922 -21.3478 GPRESSAVG: 3060200 57.0648 48.3496 -19.5023 48.4769 -28.3459 -7.98798 -19.5375 -7.46475 -21.7016 TIMING: 3060200 CPU: 9560.16, 0.00315526/step Wall: 9560.16, 0.00315526/step, 1.70016 hours remaining, 234.968750 MB of memory in use. ENERGY: 3060200 4005.1910 20463.5123 14524.9793 246.7151 -203313.3535 2752.9751 0.0000 0.0000 52099.0190 -109220.9617 299.4138 -161319.9807 -108857.2080 299.0265 -90.9391 -64.9339 761847.5575 2.2477 2.3391 LDB: ============= START OF LOAD BALANCING ============== 9572.65 LDB: ============== END OF LOAD BALANCING =============== 9572.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9572.65 LDB: ============= START OF LOAD BALANCING ============== 9572.96 LDB: Largest compute 7069 load 0.030108 is 15.4% of average load 0.195139 LDB: Average compute 0.004378 is 2.2% of average load 0.195139 LDB: TIME 9572.97 LOAD: AVG 0.195139 MAX 0.215728 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.281 MB LDB: TIME 9572.97 LOAD: AVG 0.195139 MAX 0.215728 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.488 MB LDB: TIME 9572.97 LOAD: AVG 0.195139 MAX 0.215728 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.488 MB LDB: ============== END OF LOAD BALANCING =============== 9572.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9572.97 PRESSURE: 3060400 -312.887 34.4229 75.2511 34.4241 185.981 -312.342 75.2511 -312.342 -47.0468 GPRESSURE: 3060400 -150.29 107.682 57.9573 18.2675 129.517 -290.944 149.586 -253.748 -72.7762 PRESSAVG: 3060400 6.24684 -10.409 -29.6601 -10.409 -21.0364 -71.9737 -29.6601 -71.9737 14.1686 GPRESSAVG: 3060400 5.76697 -11.8835 -29.6792 -9.75743 -20.5955 -70.4933 -28.5305 -72.67 14.1373 TIMING: 3060400 CPU: 9560.81, 0.00322136/step Wall: 9560.81, 0.00322136/step, 1.7356 hours remaining, 234.253906 MB of memory in use. ENERGY: 3060400 4001.0596 20487.4702 14434.5791 267.0475 -203232.4270 2614.8890 0.0000 0.0000 52183.0704 -109244.3112 299.8968 -161427.3816 -108874.3716 299.8763 -57.9842 -31.1831 763690.6166 -0.2070 -0.2304 PRESSURE: 3060600 172.531 -325.836 -92.614 -325.836 118.171 169.139 -92.6138 169.139 385.439 GPRESSURE: 3060600 299.41 -288.628 -31.8136 -211.897 129.049 108.063 -97.9118 186.824 323.09 PRESSAVG: 3060600 -32.6377 -10.6753 -7.52396 -10.6754 38.5006 -38.4328 -7.52399 -38.4327 -6.49964 GPRESSAVG: 3060600 -32.2782 -8.65802 -7.20145 -9.70817 37.9411 -40.8546 -7.48828 -38.5236 -6.78402 TIMING: 3060600 CPU: 9561.44, 0.00315334/step Wall: 9561.44, 0.00315334/step, 1.69877 hours remaining, 234.253906 MB of memory in use. ENERGY: 3060600 3985.9588 20673.4252 14365.3245 251.4214 -203703.9273 3101.0232 0.0000 0.0000 52202.8495 -109123.9246 300.0105 -161326.7741 -108765.1380 299.6111 225.3803 250.5163 762532.8628 -0.2123 -0.3737 PRESSURE: 3060800 19.906 -53.6844 1.73137 -53.6841 -80.696 -256.064 1.73197 -256.064 -264.168 GPRESSURE: 3060800 -13.172 -114.046 32.488 -28.8058 20.6086 -303.228 -39.0298 -205.303 -262.808 PRESSAVG: 3060800 -45.289 -3.01245 -30.1497 -3.01244 10.4219 -10.7081 -30.1497 -10.7081 14.0742 GPRESSAVG: 3060800 -45.568 -2.65156 -30.5277 -4.31558 10.3057 -12.0272 -30.7042 -8.82907 14.6088 TIMING: 3060800 CPU: 9562.07, 0.00315298/step Wall: 9562.07, 0.00315298/step, 1.69841 hours remaining, 234.253906 MB of memory in use. ENERGY: 3060800 4013.3081 20602.1368 14454.9828 257.2787 -203181.2701 2656.3741 0.0000 0.0000 52020.7752 -109176.4144 298.9641 -161197.1896 -108811.2750 300.0853 -108.3193 -85.1238 761829.0115 -6.9310 -6.8845 PRESSURE: 3061000 375.469 -63.8093 192.445 -63.8087 136.667 137.714 192.446 137.714 546.018 GPRESSURE: 3061000 337.041 -83.4115 136.128 -82.8023 259.364 103.979 220.865 18.3713 551.902 PRESSAVG: 3061000 -67.9313 -9.74617 -7.13417 -9.74612 37.1716 -27.6025 -7.13413 -27.6025 -15.0404 GPRESSAVG: 3061000 -68.2855 -11.945 -6.55169 -9.25745 37.2671 -26.8283 -6.59811 -28.4443 -14.8797 TIMING: 3061000 CPU: 9562.7, 0.00313728/step Wall: 9562.7, 0.00313728/step, 1.68977 hours remaining, 234.253906 MB of memory in use. ENERGY: 3061000 4097.3024 20603.2675 14405.1154 241.8595 -203796.9869 2949.7263 0.0000 0.0000 52086.2764 -109413.4394 299.3405 -161499.7158 -109053.8443 299.3103 352.7178 382.7688 760212.6678 -15.2667 -15.2994 PRESSURE: 3061200 -101.768 87.4053 -53.2613 87.4058 94.3272 42.0262 -53.2613 42.0258 -63.6829 GPRESSURE: 3061200 -53.5908 205.022 -57.8381 62.5292 109.443 38.6223 -90.1782 129.618 -37.7912 PRESSAVG: 3061200 44.0709 15.5305 -29.7066 15.5305 -45.25 -27.397 -29.7067 -27.397 9.06795 GPRESSAVG: 3061200 44.646 17.0062 -28.526 14.1047 -44.8748 -26.102 -30.895 -27.8928 8.25517 TIMING: 3061200 CPU: 9563.33, 0.00314112/step Wall: 9563.33, 0.00314112/step, 1.69167 hours remaining, 234.253906 MB of memory in use. ENERGY: 3061200 4000.7660 20696.6509 14469.6192 231.1132 -203545.9480 2684.1945 0.0000 0.0000 52224.1955 -109239.4087 300.1332 -161463.6042 -108878.2807 299.8039 -23.7080 6.0202 761978.5811 2.6296 2.6755 PRESSURE: 3061400 316.986 123.213 -121.725 123.213 -221.04 -141.002 -121.726 -141.001 49.3359 GPRESSURE: 3061400 312.892 178.244 -57.351 200.952 -198.688 -112.741 -119.945 -35.7199 121.804 PRESSAVG: 3061400 -7.66204 41.7176 -40.4857 41.7176 -39.6173 -25.4309 -40.4857 -25.431 12.5542 GPRESSAVG: 3061400 -8.46164 41.8918 -40.8649 42.8115 -39.0763 -26.1676 -37.8621 -24.3077 12.7979 TIMING: 3061400 CPU: 9563.95, 0.00312104/step Wall: 9563.95, 0.00312104/step, 1.68068 hours remaining, 234.253906 MB of memory in use. ENERGY: 3061400 4055.6433 20530.5863 14409.7335 236.6219 -203219.2133 2672.6985 0.0000 0.0000 52061.0521 -109252.8777 299.1956 -161313.9298 -108890.1693 299.2939 48.4273 78.6693 762573.6845 -11.5751 -11.5800 PRESSURE: 3061600 -17.3154 157.965 48.0121 157.965 -70.6296 -149.723 48.0134 -149.722 391.622 GPRESSURE: 3061600 90.2782 245.686 99.566 87.153 -29.5671 -94.7902 21.6246 -206.788 330.712 PRESSAVG: 3061600 -0.222997 -20.9594 -15.1447 -20.9594 19.4375 12.5128 -15.1446 12.5128 -7.04839 GPRESSAVG: 3061600 0.276772 -22.2039 -16.4246 -22.1701 17.8946 13.7256 -16.5798 12.3257 -6.32975 TIMING: 3061600 CPU: 9564.58, 0.00312944/step Wall: 9564.58, 0.00312944/step, 1.68503 hours remaining, 234.253906 MB of memory in use. ENERGY: 3061600 3934.1333 20258.2183 14491.8508 233.7608 -203047.4416 2641.3485 0.0000 0.0000 52035.8301 -109452.2999 299.0506 -161488.1300 -109085.3336 298.8748 101.2256 130.4743 762436.1142 4.0554 3.9472 PRESSURE: 3061800 -302.353 -132.065 60.1527 -132.065 -179.521 -103.203 60.1528 -103.204 -431.348 GPRESSURE: 3061800 -238.243 -87.6228 122.603 -70.7315 -147.783 -90.2896 25.5107 43.6337 -423.931 PRESSAVG: 3061800 3.55665 20.4784 -10.9546 20.4783 1.89437 83.9422 -10.9545 83.9421 -12.6252 GPRESSAVG: 3061800 4.15022 20.2381 -9.4108 21.7969 2.30882 83.0913 -10.582 85.367 -12.8574 TIMING: 3061800 CPU: 9565.2, 0.00313228/step Wall: 9565.2, 0.00313228/step, 1.68639 hours remaining, 234.253906 MB of memory in use. ENERGY: 3061800 4057.1299 20482.7717 14462.6703 247.1692 -203347.3266 2811.5467 0.0000 0.0000 51967.7768 -109318.2621 298.6595 -161286.0388 -108949.9735 298.9457 -304.4069 -269.9858 763743.5547 -2.3914 -2.1328 PRESSURE: 3062000 -29.1165 -102.671 202.379 -102.671 -102.487 57.2932 202.38 57.2932 -196.895 GPRESSURE: 3062000 -87.8465 -134.827 172.294 19.2652 -1.2317 75.0676 212.136 -94.3309 -163.102 PRESSAVG: 3062000 9.76529 -17.2939 -80.5208 -17.2939 -18.8235 12.0024 -80.5208 12.0024 -5.0255 GPRESSAVG: 3062000 9.48412 -18.1252 -82.6248 -17.6841 -17.8179 11.3723 -78.812 10.5385 -5.25561 TIMING: 3062000 CPU: 9565.83, 0.00312326/step Wall: 9565.83, 0.00312326/step, 1.68136 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3062000 3916.9870 20500.9703 14443.8711 256.8832 -202936.9478 2282.5646 0.0000 0.0000 51939.4088 -109596.2629 298.4965 -161535.6716 -109241.1642 298.3591 -109.4995 -84.0600 762653.1724 -4.6946 -4.5298 PRESSURE: 3062200 -101.369 39.5932 -315.547 39.5937 -372.425 128.041 -315.547 128.041 -127.539 GPRESSURE: 3062200 -147.924 100.413 -276.036 10.4867 -335.78 76.4974 -283.648 165.462 -28.9735 PRESSAVG: 3062200 7.45868 -28.6325 -60.9075 -28.6325 10.5124 -15.495 -60.9075 -15.495 16.9757 GPRESSAVG: 3062200 7.64893 -28.7315 -60.638 -27.7082 10.6482 -13.6689 -64.8151 -16.5629 16.9978 TIMING: 3062200 CPU: 9566.45, 0.00312212/step Wall: 9566.45, 0.00312212/step, 1.68057 hours remaining, 234.253906 MB of memory in use. ENERGY: 3062200 3938.9521 20520.4814 14454.5582 253.3668 -203488.8779 2717.7738 0.0000 0.0000 52206.7666 -109396.9792 300.0330 -161603.7458 -109028.0232 298.4724 -200.4445 -170.8927 766140.5850 11.6489 11.7650 PRESSURE: 3062400 269.341 -74.067 -38.5142 -74.0668 181.283 317.041 -38.5147 317.042 -114.925 GPRESSURE: 3062400 340.094 1.36925 -83.0521 -99.1656 197.038 222.776 11.8169 159.756 -134.633 PRESSAVG: 3062400 15.1733 -34.1289 -13.4106 -34.1289 26.4603 -7.39756 -13.4107 -7.39763 -14.6232 GPRESSAVG: 3062400 15.9149 -33.5242 -12.9458 -32.9159 26.0685 -8.83104 -11.5969 -7.61436 -15.2602 TIMING: 3062400 CPU: 9567.08, 0.00312379/step Wall: 9567.08, 0.00312379/step, 1.68129 hours remaining, 234.253906 MB of memory in use. ENERGY: 3062400 3892.9252 20494.3142 14518.4525 249.2077 -203754.6895 3069.0038 0.0000 0.0000 52128.5428 -109402.2434 299.5835 -161530.7862 -109040.6461 299.0782 111.8997 134.1665 762701.0609 9.0035 8.9077 PRESSURE: 3062600 321.079 -23.2278 -87.6071 -23.2277 263.518 247.238 -87.6083 247.237 -123.878 GPRESSURE: 3062600 363.253 -155.949 -105.352 54.2331 293.269 281.869 -158.472 113.57 -99.5239 PRESSAVG: 3062600 -8.24158 -23.3439 -0.281283 -23.3439 -3.69967 42.4881 -0.281322 42.4881 31.932 GPRESSAVG: 3062600 -9.88165 -24.6232 -0.230809 -23.4039 -3.11411 42.2454 0.303214 41.3778 32.7715 TIMING: 3062600 CPU: 9567.7, 0.00311244/step Wall: 9567.7, 0.00311244/step, 1.67501 hours remaining, 234.253906 MB of memory in use. ENERGY: 3062600 3965.4783 20380.5202 14490.0129 241.9698 -203409.5271 2741.2692 0.0000 0.0000 52156.0546 -109434.2221 299.7416 -161590.2767 -109073.2812 298.8635 153.5729 185.6659 761735.1409 6.6636 6.5919 PRESSURE: 3062800 -43.3701 -73.4945 -129.833 -73.4951 153.689 80.5704 -129.834 80.5705 -228.339 GPRESSURE: 3062800 -7.92598 -133.864 -108.71 85.3916 152.205 46.6276 -234.283 184.971 -185.929 PRESSAVG: 3062800 -15.0385 -27.6326 -48.449 -27.6325 49.397 48.9732 -48.449 48.9733 -14.6256 GPRESSAVG: 3062800 -15.1258 -28.6934 -47.8607 -27.1919 49.7832 49.7898 -50.6578 49.7312 -14.9539 TIMING: 3062800 CPU: 9568.32, 0.00310872/step Wall: 9568.32, 0.00310872/step, 1.67284 hours remaining, 234.253906 MB of memory in use. ENERGY: 3062800 3992.9825 20411.1732 14456.5259 255.6113 -203591.3904 2837.5263 0.0000 0.0000 51990.4768 -109647.0943 298.7900 -161637.5711 -109287.6294 298.4967 -39.3398 -13.8831 762020.5839 6.5776 6.5678 PRESSURE: 3063000 -122.38 34.0957 -94.2716 34.0947 198.379 66.4352 -94.2718 66.435 -292.544 GPRESSURE: 3063000 -114.042 86.3339 -18.8699 10.4923 212.311 61.8021 -77.8587 54.8229 -222.116 PRESSAVG: 3063000 -4.10751 -28.8497 -1.54478 -28.8498 -2.64464 42.459 -1.54476 42.459 -3.84521 GPRESSAVG: 3063000 -2.43747 -24.1214 -2.30246 -31.6202 -4.68841 43.1082 1.02815 43.4729 -3.02094 TIMING: 3063000 CPU: 9568.95, 0.00312793/step Wall: 9568.95, 0.00312793/step, 1.683 hours remaining, 234.253906 MB of memory in use. ENERGY: 3063000 4007.2238 20528.4325 14509.8525 241.9056 -202994.4121 2515.7160 0.0000 0.0000 51701.3274 -109489.9543 297.1282 -161191.2817 -109128.2585 298.3568 -72.1813 -41.2825 762521.6362 -3.5325 -3.3823 PRESSURE: 3063200 -222.109 205.468 209.883 205.468 -55.0257 -144.141 209.883 -144.14 -293.997 GPRESSURE: 3063200 -207.651 266.016 223.834 182.802 -53.9814 -191.236 64.8203 -155.316 -209.865 PRESSAVG: 3063200 -11.1127 -52.3276 -44.0401 -52.3276 20.5251 -11.8308 -44.0402 -11.8308 6.02973 GPRESSAVG: 3063200 -12.2784 -53.3805 -43.4227 -51.8098 22.9019 -14.0725 -43.28 -12.2834 5.35496 TIMING: 3063200 CPU: 9569.57, 0.00311781/step Wall: 9569.57, 0.00311781/step, 1.67738 hours remaining, 234.253906 MB of memory in use. ENERGY: 3063200 3966.3431 20480.0528 14447.0964 249.9125 -203058.8377 2489.1097 0.0000 0.0000 51982.3747 -109443.9485 298.7434 -161426.3232 -109083.6822 298.9838 -190.3771 -157.1659 762177.5124 5.1474 5.3262 PRESSURE: 3063400 367.109 -151.245 100.721 -151.244 170.206 -139.861 100.721 -139.861 228.499 GPRESSURE: 3063400 464.529 -153.974 59.1865 -143.151 141.271 -174.462 145.259 -141.874 250.912 PRESSAVG: 3063400 -11.1393 -4.56025 -5.55758 -4.56029 9.70276 4.06559 -5.55755 4.06559 -29.4942 GPRESSAVG: 3063400 -10.3944 -7.24367 -5.15182 -3.40418 8.9949 4.12378 -4.92613 5.57972 -30.171 TIMING: 3063400 CPU: 9570.19, 0.00312083/step Wall: 9570.19, 0.00312083/step, 1.67883 hours remaining, 234.253906 MB of memory in use. ENERGY: 3063400 3849.1315 20446.9129 14435.1021 264.1785 -203489.4539 2909.8530 0.0000 0.0000 52106.9593 -109477.3166 299.4594 -161584.2759 -109115.6816 299.1103 255.2716 285.5708 761585.3462 -10.3103 -10.5235 PRESSURE: 3063600 -154.745 -124.522 78.7256 -124.523 -40.7822 144.813 78.725 144.812 -92.5815 GPRESSURE: 3063600 -169.752 -86.2454 201.261 -10.652 -28.4368 163.038 52.3897 109.394 -12.3054 PRESSAVG: 3063600 -11.1134 -36.3591 59.9426 -36.359 13.6846 5.50095 59.9425 5.50097 -7.20765 GPRESSAVG: 3063600 -12.0263 -34.5704 59.4076 -37.381 12.8562 8.32053 57.5389 5.2992 -5.16566 TIMING: 3063600 CPU: 9570.82, 0.00312869/step Wall: 9570.82, 0.00312869/step, 1.68289 hours remaining, 234.253906 MB of memory in use. ENERGY: 3063600 3965.8076 20510.2479 14465.4604 248.3635 -203241.9047 2670.1124 0.0000 0.0000 51902.4023 -109479.5105 298.2838 -161381.9128 -109121.3143 298.7429 -96.0362 -70.1647 762597.7865 -1.5455 -1.4453 PRESSURE: 3063800 248.419 78.3207 -220.445 78.3203 184.927 -39.3647 -220.445 -39.3661 164.157 GPRESSURE: 3063800 230.905 62.7032 -159.355 19.1229 209.118 -105.701 -238.565 36.5161 233.969 PRESSAVG: 3063800 -24.4083 -7.3198 35.0096 -7.31977 -19.5576 19.3985 35.0096 19.3984 4.69074 GPRESSAVG: 3063800 -23.5753 -8.53103 35.6002 -6.55675 -18.0516 16.9177 35.7341 18.3827 2.72267 TIMING: 3063800 CPU: 9571.45, 0.00312731/step Wall: 9571.45, 0.00312731/step, 1.68197 hours remaining, 234.253906 MB of memory in use. ENERGY: 3063800 3958.5118 20375.9785 14457.1643 249.7283 -203150.4554 2619.4039 0.0000 0.0000 52115.0833 -109374.5853 299.5061 -161489.6686 -109010.1000 298.6446 199.1675 224.6643 762663.8823 -13.0917 -12.9681 PRESSURE: 3064000 -52.1188 -47.0228 -315.955 -47.0222 -218.507 -160.049 -315.954 -160.05 183.873 GPRESSURE: 3064000 -15.583 -85.4945 -203.932 31.1269 -204.356 -154.786 -293.007 -129.243 217.86 PRESSAVG: 3064000 28.4133 4.40173 27.462 4.40171 5.80097 41.8868 27.462 41.8869 -3.84446 GPRESSAVG: 3064000 28.7721 8.55739 27.0905 0.941825 5.24213 43.4784 27.7035 40.787 -3.08035 TIMING: 3064000 CPU: 9572.07, 0.00314651/step Wall: 9572.07, 0.00314651/step, 1.69212 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3064000 3970.7820 20480.9574 14394.1298 257.7627 -203126.0940 2525.0853 0.0000 0.0000 52134.8606 -109362.5163 299.6198 -161497.3769 -109002.6533 298.5044 -28.9176 -0.6931 764058.0253 10.1233 10.3113 PRESSURE: 3064200 -191.338 -52.2798 -22.2391 -52.2784 -272.69 264.132 -22.2381 264.131 -299.79 GPRESSURE: 3064200 -119.529 52.6067 97.9848 -205.316 -234.503 157.834 -71.6411 261.959 -302.194 PRESSAVG: 3064200 -1.31052 9.41225 24.2731 9.41226 -1.69533 15.2253 24.2731 15.2253 -5.07113 GPRESSAVG: 3064200 -2.46182 7.8678 24.5987 11.5182 -0.555991 14.3572 24.8059 15.0111 -5.48835 TIMING: 3064200 CPU: 9572.7, 0.00313438/step Wall: 9572.7, 0.00313438/step, 1.68543 hours remaining, 234.253906 MB of memory in use. ENERGY: 3064200 3959.3981 20556.4468 14457.0235 247.6337 -202696.5878 2160.4212 0.0000 0.0000 51917.6051 -109398.0595 298.3712 -161315.6646 -109046.1245 298.6471 -254.6059 -218.7420 762820.3816 -2.6923 -2.8354 LDB: ============= START OF LOAD BALANCING ============== 9585.18 LDB: ============== END OF LOAD BALANCING =============== 9585.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9585.18 LDB: ============= START OF LOAD BALANCING ============== 9585.49 LDB: Largest compute 7041 load 0.030410 is 15.6% of average load 0.195184 LDB: Average compute 0.004379 is 2.2% of average load 0.195184 LDB: TIME 9585.5 LOAD: AVG 0.195184 MAX 0.216632 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.793 MB LDB: TIME 9585.5 LOAD: AVG 0.195184 MAX 0.216632 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.996 MB LDB: TIME 9585.5 LOAD: AVG 0.195184 MAX 0.216632 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.996 MB LDB: ============== END OF LOAD BALANCING =============== 9585.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9585.5 PRESSURE: 3064400 -15.1727 -220.051 309.759 -220.052 111.383 -89.2258 309.759 -89.2256 -42.2818 GPRESSURE: 3064400 -15.0391 -145.65 320.021 -303.822 190.372 -12.8285 198.87 -4.57074 -33.794 PRESSAVG: 3064400 5.35965 -29.2311 17.2314 -29.2311 4.31661 21.6358 17.2314 21.6359 13.2346 GPRESSAVG: 3064400 5.24756 -30.7517 16.661 -29.1442 4.19203 21.3761 15.6251 24.4267 13.4799 TIMING: 3064400 CPU: 9573.34, 0.00318813/step Wall: 9573.34, 0.00318813/step, 1.71415 hours remaining, 233.539062 MB of memory in use. ENERGY: 3064400 4134.8000 20604.6560 14444.7070 243.4827 -203191.1785 2557.4073 0.0000 0.0000 52016.8946 -109189.2309 298.9418 -161206.1255 -108845.5572 299.2180 17.9762 47.1796 760861.4013 7.6370 7.6398 PRESSURE: 3064600 44.2839 -51.5316 124.537 -51.5313 -12.1809 -151.004 124.537 -151.003 262.261 GPRESSURE: 3064600 33.3262 46.4909 146.753 -57.6006 2.9608 -111.668 27.7787 -19.2681 348.454 PRESSAVG: 3064600 8.82319 -30.8639 -13.6956 -30.864 -0.078735 50.8909 -13.6956 50.8909 10.8899 GPRESSAVG: 3064600 8.19198 -30.3861 -13.0135 -32.0577 0.674918 51.3989 -13.3208 49.6999 11.0624 TIMING: 3064600 CPU: 9573.96, 0.00312054/step Wall: 9573.96, 0.00312054/step, 1.67764 hours remaining, 233.539062 MB of memory in use. ENERGY: 3064600 3999.9533 20688.8808 14369.6262 241.6571 -203313.6635 2636.1878 0.0000 0.0000 51922.9099 -109454.4485 298.4017 -161377.3584 -109098.6293 299.4676 98.1213 128.2468 763275.8064 6.5448 6.6431 PRESSURE: 3064800 -298.726 -93.5804 26.1584 -93.5804 -148.995 -185.47 26.1581 -185.47 -125.314 GPRESSURE: 3064800 -238.648 -145.423 -1.03199 -93.7517 -106.917 -164.041 -65.3484 -177.429 -136.679 PRESSAVG: 3064800 -25.0152 -27.2949 30.7327 -27.2949 -0.0304836 26.7148 30.7327 26.7148 -14.8336 GPRESSAVG: 3064800 -23.7274 -27.5679 28.302 -25.229 -1.45695 27.5935 32.5881 26.3999 -14.785 TIMING: 3064800 CPU: 9574.59, 0.00313164/step Wall: 9574.59, 0.00313164/step, 1.68343 hours remaining, 233.539062 MB of memory in use. ENERGY: 3064800 3986.2671 20520.1411 14420.4940 243.3288 -202939.8647 2222.9635 0.0000 0.0000 51868.0058 -109678.6645 298.0861 -161546.6703 -109323.1137 298.5662 -191.0117 -160.7480 762423.1576 -13.2931 -13.3231 PRESSURE: 3065000 -54.6567 -32.3882 -21.6037 -32.3887 481.861 202.527 -21.6035 202.529 104.443 GPRESSURE: 3065000 -3.84191 -40.9641 -8.93072 -43.9438 488.284 225.701 -143.694 130.569 136.631 PRESSAVG: 3065000 -24.7411 -64.638 -15.708 -64.638 -20.1915 24.7461 -15.708 24.746 31.7301 GPRESSAVG: 3065000 -25.7728 -65.5985 -14.8151 -66.0908 -19.9884 24.2838 -18.0072 23.6828 32.344 TIMING: 3065000 CPU: 9575.21, 0.00312435/step Wall: 9575.21, 0.00312435/step, 1.67934 hours remaining, 233.539062 MB of memory in use. ENERGY: 3065000 3896.7850 20549.7882 14379.9906 236.6402 -203321.3643 2815.4582 0.0000 0.0000 51907.6738 -109535.0283 298.3141 -161442.7020 -109166.4629 298.2322 177.2156 207.0242 762603.9933 -4.4008 -4.4724 PRESSURE: 3065200 -240.268 23.3018 169.11 23.3015 -70.9158 188.695 169.11 188.695 64.3318 GPRESSURE: 3065200 -251.676 -52.6889 176.129 30.9724 -64.5947 200.768 30.1981 185.618 169.431 PRESSAVG: 3065200 -91.174 5.98988 38.1477 5.98985 23.24 3.23472 38.1478 3.23475 -12.1951 GPRESSAVG: 3065200 -91.9124 7.52184 39.6289 5.48962 24.4825 3.14308 38.2055 3.82323 -12.8062 TIMING: 3065200 CPU: 9575.84, 0.00313014/step Wall: 9575.84, 0.00313014/step, 1.68228 hours remaining, 233.539062 MB of memory in use. ENERGY: 3065200 4027.9532 20436.5503 14430.4119 256.7688 -203303.9826 2693.7540 0.0000 0.0000 51900.1841 -109558.3603 298.2711 -161458.5444 -109191.3480 298.7724 -82.2839 -48.9466 761005.0132 -26.7097 -26.7454 PRESSURE: 3065400 130.767 -114.342 -8.34096 -114.342 -109.822 -120.937 -8.34057 -120.938 -12.0567 GPRESSURE: 3065400 200.519 -107.831 56.541 -0.568838 -81.7057 -231.395 63.3126 5.93643 -26.6725 PRESSAVG: 3065400 -32.8014 -33.815 12.0723 -33.815 10.9679 15.094 12.0723 15.0941 -3.30271 GPRESSAVG: 3065400 -32.113 -35.0128 10.1765 -31.2328 10.9044 15.0288 16.5387 12.9648 -3.21768 TIMING: 3065400 CPU: 9576.47, 0.00315652/step Wall: 9576.47, 0.00315652/step, 1.69628 hours remaining, 233.539062 MB of memory in use. ENERGY: 3065400 3957.6065 20568.4254 14460.2320 268.9690 -202985.3168 2421.7753 0.0000 0.0000 51939.7571 -109368.5516 298.4985 -161308.3087 -109011.8157 298.9647 2.9627 30.7137 761150.7090 -8.3787 -8.1421 PRESSURE: 3065600 -111.626 91.8782 132.277 91.8774 -77.2667 110.062 132.277 110.062 -489.048 GPRESSURE: 3065600 -69.3236 38.8349 158.769 18.6581 -68.8867 31.4246 158.064 154.539 -432.819 PRESSAVG: 3065600 -75.6689 -26.9352 29.7363 -26.9352 43.6737 -26.0103 29.7363 -26.0103 -13.3451 GPRESSAVG: 3065600 -74.6717 -25.1623 31.2104 -29.8353 41.7132 -23.7169 27.0957 -23.3954 -12.1293 TIMING: 3065600 CPU: 9577.1, 0.00313383/step Wall: 9577.1, 0.00313383/step, 1.68391 hours remaining, 233.539062 MB of memory in use. ENERGY: 3065600 4038.7772 20507.7580 14362.1453 234.3989 -203289.3507 2410.2827 0.0000 0.0000 52317.2826 -109418.7060 300.6681 -161735.9886 -109056.1487 299.6289 -225.9803 -190.3431 762041.8363 -15.1134 -15.0293 PRESSURE: 3065800 -79.449 -17.4457 -112.631 -17.4469 14.3114 -155.887 -112.632 -155.888 172.51 GPRESSURE: 3065800 -102.415 -27.5519 -76.9223 39.727 41.6375 -126.499 -143.565 -264.192 245.989 PRESSAVG: 3065800 12.8952 -9.07487 47.3944 -9.07487 14.9418 41.6844 47.3944 41.6844 -13.2596 GPRESSAVG: 3065800 13.1085 -10.2911 47.059 -6.01249 16.78 39.6858 47.1074 40.2227 -15.2877 TIMING: 3065800 CPU: 9577.72, 0.00312897/step Wall: 9577.72, 0.00312897/step, 1.68112 hours remaining, 233.539062 MB of memory in use. ENERGY: 3065800 4007.3925 20471.6523 14500.7357 263.6768 -203345.6413 2705.0816 0.0000 0.0000 52091.2133 -109305.8891 299.3689 -161397.1023 -108950.5683 299.7125 35.7907 61.7373 761332.4971 4.8591 4.8669 PRESSURE: 3066000 -64.1855 145.31 41.7821 145.31 43.9987 94.693 41.7808 94.6934 41.3714 GPRESSURE: 3066000 53.6365 90.9339 6.99699 119.554 -19.3539 170.798 35.5807 -63.4159 94.4813 PRESSAVG: 3066000 -7.36594 -17.4684 85.0058 -17.4684 -4.01499 -16.981 85.0058 -16.9808 2.23595 GPRESSAVG: 3066000 -7.69959 -17.2119 86.6824 -20.5724 -3.97689 -17.0253 83.2552 -15.3529 3.27382 TIMING: 3066000 CPU: 9578.35, 0.00312758/step Wall: 9578.35, 0.00312758/step, 1.68021 hours remaining, 233.539062 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: 3066000 3917.6170 20551.7066 14438.3440 260.0166 -203058.9472 2449.1593 0.0000 0.0000 51940.4781 -109501.6257 298.5026 -161442.1038 -109136.2775 298.8412 7.0615 42.9213 761681.1540 -3.0483 -2.8009 PRESSURE: 3066200 -114.914 288.916 224.984 288.916 -290.976 119.087 224.984 119.087 -395.12 GPRESSURE: 3066200 -105.666 263.889 266.012 211.472 -302.429 57.6591 76.6603 129.146 -302.864 PRESSAVG: 3066200 -18.9893 -46.5708 60.5188 -46.5708 -1.60383 33.4409 60.5188 33.4409 0.678243 GPRESSAVG: 3066200 -18.0554 -47.1694 59.1023 -47.2647 -2.28519 33.8986 62.1457 31.2111 -0.206428 TIMING: 3066200 CPU: 9578.98, 0.00316911/step Wall: 9578.98, 0.00316911/step, 1.70234 hours remaining, 233.539062 MB of memory in use. ENERGY: 3066200 4006.7255 20502.3174 14400.5717 253.5681 -203300.0888 2594.1270 0.0000 0.0000 51922.4669 -109620.3122 298.3991 -161542.7790 -109267.4582 299.1505 -267.0035 -236.9862 762287.5477 -6.6383 -6.8490 PRESSURE: 3066400 -67.2465 -44.3227 -195.244 -44.3229 -21.8633 46.2204 -195.244 46.2203 -74.4241 GPRESSURE: 3066400 -53.9409 93.4119 -230.577 -29.3671 -16.9616 -76.4117 -108.541 9.83522 14.6426 PRESSAVG: 3066400 47.696 -21.4276 11.4021 -21.4276 -34.6654 16.5083 11.4021 16.5082 -24.029 GPRESSAVG: 3066400 46.3779 -21.8896 11.7707 -19.625 -34.3961 15.0056 11.7527 16.5124 -22.7112 TIMING: 3066400 CPU: 9579.61, 0.00314252/step Wall: 9579.61, 0.00314252/step, 1.68788 hours remaining, 233.539062 MB of memory in use. ENERGY: 3066400 3971.7845 20502.1962 14496.8991 254.4589 -203181.7765 2514.5973 0.0000 0.0000 52069.7296 -109372.1110 299.2455 -161441.8405 -109008.9610 298.7938 -54.5113 -18.7533 761161.0441 -3.6661 -3.5765 PRESSURE: 3066600 190.767 -31.6154 -3.96186 -31.6158 63.8437 -45.4036 -3.96155 -45.4033 -265.568 GPRESSURE: 3066600 252.101 97.3533 171.331 -84.9275 -4.56653 -56.304 -139.937 -34.7975 -177.284 PRESSAVG: 3066600 1.97866 -56.9452 31.6929 -56.9452 -39.4667 7.04789 31.693 7.04787 3.25929 GPRESSAVG: 3066600 2.57604 -54.4979 31.9163 -57.3498 -39.4082 5.51159 32.1359 9.20688 2.47285 TIMING: 3066600 CPU: 9580.25, 0.00317489/step Wall: 9580.25, 0.00317489/step, 1.70509 hours remaining, 233.539062 MB of memory in use. ENERGY: 3066600 4000.9745 20685.9394 14507.6564 247.7537 -203494.0371 2835.1333 0.0000 0.0000 51625.7520 -109590.8278 296.6939 -161216.5799 -109239.3197 298.6469 -3.6523 23.4167 762411.9582 -11.4096 -11.4531 PRESSURE: 3066800 -118.128 -130.321 -44.4168 -130.321 -47.8329 144.031 -44.4164 144.031 107.663 GPRESSURE: 3066800 -97.5437 -153.195 36.9313 -139.697 45.8878 92.4451 -88.1215 218.633 94.7917 PRESSAVG: 3066800 -25.2966 -37.4792 13.7051 -37.4791 24.4227 51.8154 13.7051 51.8155 47.4935 GPRESSAVG: 3066800 -25.5371 -38.5811 15.4346 -36.5442 25.6194 54.177 13.2589 49.228 46.9969 TIMING: 3066800 CPU: 9580.89, 0.00318982/step Wall: 9580.89, 0.00318982/step, 1.71294 hours remaining, 233.539062 MB of memory in use. ENERGY: 3066800 3943.3955 20382.6138 14409.6203 233.8517 -202934.7400 2465.1312 0.0000 0.0000 52046.8979 -109453.2296 299.1142 -161500.1275 -109077.9172 298.7591 -19.4326 14.3786 762040.4892 15.5399 15.6930 PRESSURE: 3067000 -75.5032 167.023 95.414 167.022 -130.328 -43.3198 95.4132 -43.3203 203.341 GPRESSURE: 3067000 34.1622 70.8652 175.849 174.774 -156.22 -4.43344 82.2864 -51.7834 176.608 PRESSAVG: 3067000 33.1343 39.2001 47.9711 39.2001 -20.0009 30.514 47.9711 30.514 4.48302 GPRESSAVG: 3067000 34.1307 38.622 45.8692 38.3857 -21.7003 30.641 50.4458 31.7917 4.6263 TIMING: 3067000 CPU: 9581.51, 0.00312508/step Wall: 9581.51, 0.00312508/step, 1.678 hours remaining, 233.539062 MB of memory in use. ENERGY: 3067000 3976.9825 20377.9600 14388.4130 240.0162 -203260.8494 2464.7489 0.0000 0.0000 52103.6290 -109709.0999 299.4403 -161812.7289 -109348.0734 298.4191 -0.8300 18.1836 762070.7217 5.8721 5.6855 PRESSURE: 3067200 27.534 60.4348 -48.3788 60.4347 -438.291 267.27 -48.3796 267.27 -219.974 GPRESSURE: 3067200 -19.8031 50.4351 -37.0997 50.9186 -297.845 230.588 -73.7455 161.874 -230.843 PRESSAVG: 3067200 21.9525 -2.39833 17.9324 -2.3983 10.9919 22.3359 17.9325 22.336 12.9697 GPRESSAVG: 3067200 21.1062 -1.24616 17.157 -2.35737 12.341 20.9192 14.9282 22.426 12.5738 TIMING: 3067200 CPU: 9582.13, 0.00311989/step Wall: 9582.13, 0.00311989/step, 1.67503 hours remaining, 233.539062 MB of memory in use. ENERGY: 3067200 3982.0721 20504.7400 14439.1328 257.4527 -203679.3775 2762.0027 0.0000 0.0000 52154.0132 -109579.9640 299.7298 -161733.9772 -109217.9637 298.8042 -210.2437 -182.8303 761199.4785 15.3047 15.3404 PRESSURE: 3067400 67.9167 -174.756 -117.669 -174.756 -203.193 -217.829 -117.67 -217.83 233.252 GPRESSURE: 3067400 49.5605 -50.1852 -145.962 -79.8843 -108.274 -169.167 -31.7265 -120.462 245.024 PRESSAVG: 3067400 -14.5289 -48.0178 -2.89079 -48.0178 1.12529 10.6638 -2.89078 10.6638 -26.5848 GPRESSAVG: 3067400 -14.7343 -48.4758 -1.67236 -47.9599 1.74902 11.2502 -0.74815 10.7146 -26.3238 TIMING: 3067400 CPU: 9582.76, 0.00313487/step Wall: 9582.76, 0.00313487/step, 1.6829 hours remaining, 233.539062 MB of memory in use. ENERGY: 3067400 3952.9063 20449.9909 14412.1049 251.3091 -203367.2479 2423.3231 0.0000 0.0000 51936.4490 -109941.1646 298.4795 -161877.6136 -109574.4672 298.4591 32.6583 62.1035 761341.6963 -13.3295 -13.1030 PRESSURE: 3067600 -43.683 -56.3157 27.6722 -56.3156 3.93187 -84.2779 27.6723 -84.2781 90.3194 GPRESSURE: 3067600 -49.8473 21.7292 -19.7018 -50.9766 11.3291 -71.1223 -62.3474 9.55127 195.569 PRESSAVG: 3067600 27.1103 -27.9666 1.03841 -27.9666 -17.9649 -27.2636 1.03841 -27.2635 2.2369 GPRESSAVG: 3067600 28.1538 -27.202 1.75373 -27.2336 -20.0311 -27.4486 -1.68138 -25.8366 3.45328 TIMING: 3067600 CPU: 9583.39, 0.00314089/step Wall: 9583.39, 0.00314089/step, 1.68596 hours remaining, 233.539062 MB of memory in use. ENERGY: 3067600 3954.0136 20456.5656 14483.2243 254.4514 -203717.2249 2849.9098 0.0000 0.0000 51998.4940 -109720.5663 298.8361 -161719.0603 -109361.4790 298.1560 16.8561 52.3501 761488.3241 3.7941 3.8587 PRESSURE: 3067800 -333.042 132.737 90.7088 132.738 -503.091 129.514 90.7092 129.514 -104.978 GPRESSURE: 3067800 -360.56 184.937 144.071 123.854 -387.306 98.8857 99.9809 106.415 -101.455 PRESSAVG: 3067800 12.4424 -17.1173 4.91372 -17.1173 -37.6223 43.2721 4.91376 43.2721 6.95506 GPRESSAVG: 3067800 11.959 -18.1238 3.72078 -18.5566 -37.5176 42.1019 6.47294 43.9153 7.44256 TIMING: 3067800 CPU: 9584.02, 0.00313932/step Wall: 9584.02, 0.00313932/step, 1.68494 hours remaining, 233.539062 MB of memory in use. ENERGY: 3067800 3968.9402 20529.5228 14393.7450 238.2593 -203315.3075 2503.4940 0.0000 0.0000 51913.2678 -109768.0783 298.3463 -161681.3461 -109394.8631 298.5460 -313.7036 -283.1068 763052.0540 -6.0749 -6.0387 PRESSURE: 3068000 -89.259 -139.944 -54.8377 -139.944 469.219 94.0607 -54.8376 94.061 -0.317621 GPRESSURE: 3068000 -60.7819 -56.0087 32.865 -147.405 508.149 12.6539 96.137 227.526 42.6509 PRESSAVG: 3068000 14.1866 23.5732 13.5382 23.5733 -29.9188 19.8461 13.5382 19.8461 9.38836 GPRESSAVG: 3068000 14.4108 25.8878 15.734 22.5027 -28.8684 20.6738 14.6998 18.2145 7.96094 TIMING: 3068000 CPU: 9584.65, 0.00316231/step Wall: 9584.65, 0.00316231/step, 1.69711 hours remaining, 233.539062 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: 3068000 4002.3742 20477.5572 14450.9890 249.9831 -203481.0559 2870.3303 0.0000 0.0000 51774.8256 -109654.9964 297.5506 -161429.8220 -109289.3034 298.3611 126.5475 163.3392 761090.3134 -2.1146 -2.1655 PRESSURE: 3068200 71.7994 153.241 134.144 153.241 -93.9829 -155.959 134.144 -155.959 -176.75 GPRESSURE: 3068200 65.5983 141.984 121.455 225.651 -54.6483 -171.736 38.978 -1.06054 -143.754 PRESSAVG: 3068200 -26.978 24.8691 -7.58946 24.8691 -4.65523 55.3506 -7.58945 55.3507 7.73207 GPRESSAVG: 3068200 -26.0989 23.4217 -9.00471 27.0022 -5.09709 55.6466 -10.6306 55.6912 7.09904 TIMING: 3068200 CPU: 9585.28, 0.00313854/step Wall: 9585.28, 0.00313854/step, 1.68418 hours remaining, 233.539062 MB of memory in use. ENERGY: 3068200 4011.3706 20520.9336 14400.1573 245.1181 -203609.5693 2903.0420 0.0000 0.0000 51745.2243 -109783.7234 297.3805 -161528.9476 -109422.4537 298.1222 -66.3112 -44.2678 760612.5199 -7.9671 -8.0323 LDB: ============= START OF LOAD BALANCING ============== 9597.76 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9597.76 LDB: =============== DONE WITH MIGRATION ================ 9597.76 LDB: ============= START OF LOAD BALANCING ============== 9598.08 LDB: Largest compute 7007 load 0.030710 is 15.7% of average load 0.195109 LDB: Average compute 0.004366 is 2.2% of average load 0.195109 LDB: TIME 9598.08 LOAD: AVG 0.195109 MAX 0.217858 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.539 MB LDB: TIME 9598.08 LOAD: AVG 0.195109 MAX 0.217858 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.543 MB LDB: TIME 9598.08 LOAD: AVG 0.195109 MAX 0.21521 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.543 MB LDB: ============== END OF LOAD BALANCING =============== 9598.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9598.09 PRESSURE: 3068400 235.37 -244.525 -339.485 -244.525 -196.498 -110.474 -339.486 -110.473 -226.087 GPRESSURE: 3068400 195.528 -82.2253 -319.048 -240.849 -163.634 -156.272 -196.229 47.8846 -130.31 PRESSAVG: 3068400 30.4713 -1.49012 -6.21925 -1.49015 -13.015 -32.0346 -6.2193 -32.0346 15.4885 GPRESSAVG: 3068400 30.4232 -3.78059 -5.91307 -0.836709 -14.3281 -34.0056 -3.72087 -30.934 16.4481 TIMING: 3068400 CPU: 9585.92, 0.00321525/step Wall: 9585.92, 0.00321525/step, 1.72516 hours remaining, 233.539062 MB of memory in use. ENERGY: 3068400 4024.3444 20443.5593 14420.9799 254.3994 -203258.4022 2734.1425 0.0000 0.0000 51719.2721 -109661.7047 297.2314 -161380.9767 -109314.7720 298.2830 -62.4051 -32.8053 762505.9366 10.9816 10.8478 PRESSURE: 3068600 -195.52 -177.393 -165.521 -177.393 410.452 8.47791 -165.521 8.4787 -149.788 GPRESSURE: 3068600 -102.991 -190.524 -272.703 -170.825 370.574 76.1851 -24.9006 27.9907 -103.012 PRESSAVG: 3068600 24.3733 3.11111 1.34742 3.11113 -69.3089 -24.7528 1.3475 -24.7529 4.35471 GPRESSAVG: 3068600 23.3709 4.66824 0.502232 2.52233 -66.9639 -23.9662 1.16003 -24.174 3.3815 TIMING: 3068600 CPU: 9586.55, 0.00314029/step Wall: 9586.55, 0.00314029/step, 1.68477 hours remaining, 233.539062 MB of memory in use. ENERGY: 3068600 3953.4327 20581.2347 14512.0402 235.2342 -203456.1155 2875.5124 0.0000 0.0000 51705.0489 -109593.6123 297.1496 -161298.6612 -109239.3902 298.0620 21.7146 54.8567 760879.8339 -13.5270 -13.4038 PRESSURE: 3068800 103.866 -44.9201 64.6193 -44.9204 -111.563 -149.174 64.619 -149.174 -113.178 GPRESSURE: 3068800 146.453 -62.9584 63.8469 22.8783 -104.762 -143.922 106.125 -115.464 -74.5839 PRESSAVG: 3068800 -27.8927 -29.2893 -6.35257 -29.2893 34.1997 -32.2936 -6.35262 -32.2937 -0.365079 GPRESSAVG: 3068800 -27.9552 -29.6676 -7.02366 -29.31 33.736 -31.0657 -5.75003 -32.1476 -0.396838 TIMING: 3068800 CPU: 9587.17, 0.00311994/step Wall: 9587.17, 0.00311994/step, 1.67367 hours remaining, 233.539062 MB of memory in use. ENERGY: 3068800 3999.2967 20549.3931 14446.5667 240.3128 -203554.6670 2747.4511 0.0000 0.0000 52049.8371 -109521.8096 299.1311 -161571.6467 -109159.3273 298.9550 -40.2917 -10.9642 762846.1761 1.9806 1.7946 PRESSURE: 3069000 37.6636 -21.6131 96.2813 -21.6141 62.5876 140.903 96.2808 140.903 430.659 GPRESSURE: 3069000 56.5207 40.9372 25.7081 -13.8112 96.701 122.048 160.072 120.891 440.243 PRESSAVG: 3069000 -11.1578 0.995909 -1.31829 0.995969 6.56119 -12.045 -1.31827 -12.045 -17.9246 GPRESSAVG: 3069000 -11.3677 2.35017 1.08515 2.10785 5.80054 -11.9582 -2.51225 -13.7253 -16.6994 TIMING: 3069000 CPU: 9587.8, 0.00312857/step Wall: 9587.8, 0.00312857/step, 1.67813 hours remaining, 233.539062 MB of memory in use. ENERGY: 3069000 3966.4319 20525.7688 14445.6669 249.3051 -203412.0714 2684.2652 0.0000 0.0000 51977.4624 -109563.1711 298.7152 -161540.6335 -109204.1952 298.8335 176.9702 197.8215 761437.9930 -7.5071 -7.4222 PRESSURE: 3069200 200.016 71.5372 -17.3873 71.5368 219.934 -2.50976 -17.3877 -2.51022 556.651 GPRESSURE: 3069200 316.027 90.9891 -50.4048 83.4828 203.038 -8.55798 -24.5403 -59.7596 545.658 PRESSAVG: 3069200 7.40085 -41.9262 -9.86835 -41.9262 -18.5478 35.1931 -9.86832 35.193 6.76346 GPRESSAVG: 3069200 9.09199 -42.9901 -10.6251 -43.4772 -17.8153 36.7117 -8.39412 34.4639 4.921 TIMING: 3069200 CPU: 9588.43, 0.00315065/step Wall: 9588.43, 0.00315064/step, 1.6898 hours remaining, 233.539062 MB of memory in use. ENERGY: 3069200 3903.8953 20686.6952 14450.4421 255.8478 -203596.2457 2657.4922 0.0000 0.0000 52161.9516 -109479.9216 299.7755 -161641.8732 -109117.2469 299.2008 325.5333 354.9078 760076.5805 -1.4612 -1.2674 PRESSURE: 3069400 51.4653 220.394 -96.5071 220.393 37.3937 246.562 -96.5073 246.562 22.2825 GPRESSURE: 3069400 111.156 172.442 -72.5784 291.262 69.2577 222.792 -87.5549 210.396 8.42031 PRESSAVG: 3069400 88.475 -6.68981 8.29933 -6.68986 -35.3555 35.6024 8.29935 35.6024 11.5496 GPRESSAVG: 3069400 88.2695 -8.22466 8.6001 -4.72651 -36.4759 32.8533 7.37287 35.9815 12.7458 TIMING: 3069400 CPU: 9589.06, 0.00316115/step Wall: 9589.06, 0.00316115/step, 1.69525 hours remaining, 233.539062 MB of memory in use. ENERGY: 3069400 4015.7550 20416.7804 14544.4634 229.2231 -203278.4618 2671.4929 0.0000 0.0000 51943.9432 -109456.8038 298.5226 -161400.7470 -109088.8444 299.1387 37.0471 62.9445 761947.4356 21.5564 21.5132 PRESSURE: 3069600 6.19651 47.5629 319.413 47.5632 25.4258 -86.1025 319.413 -86.1034 -283.257 GPRESSURE: 3069600 31.6786 58.566 261.067 58.6689 64.2973 9.67834 390.682 -15.0648 -252.985 PRESSAVG: 3069600 -21.8014 -18.2782 14.1775 -18.2782 29.4498 -8.31931 14.1775 -8.31931 23.9081 GPRESSAVG: 3069600 -21.7244 -17.6907 13.5228 -18.0935 29.0728 -6.87704 14.5254 -7.66984 23.753 TIMING: 3069600 CPU: 9589.69, 0.00316679/step Wall: 9589.69, 0.00316679/step, 1.6981 hours remaining, 233.539062 MB of memory in use. ENERGY: 3069600 3972.9031 20463.7665 14498.6029 242.8479 -203226.1389 2871.5704 0.0000 0.0000 51794.8237 -109381.6244 297.6656 -161176.4481 -109025.6941 298.7188 -83.8783 -52.3362 761990.9741 10.5188 10.3671 PRESSURE: 3069800 488.142 -304.442 -246.618 -304.442 -63.1224 8.16557 -246.618 8.16632 413.209 GPRESSURE: 3069800 558.29 -193.482 -214.128 -229.831 -38.1946 -71.4775 -94.0177 -20.6199 412.129 PRESSAVG: 3069800 63.3974 6.49554 -23.2879 6.49551 -76.7554 -20.9423 -23.288 -20.9423 -14.501 GPRESSAVG: 3069800 63.2887 7.71209 -22.4946 5.92402 -76.129 -20.7605 -23.1423 -21.0528 -14.5766 TIMING: 3069800 CPU: 9590.32, 0.00314074/step Wall: 9590.32, 0.00314074/step, 1.68396 hours remaining, 233.539062 MB of memory in use. ENERGY: 3069800 3950.2210 20410.0052 14395.6221 255.9349 -203445.0347 2711.5048 0.0000 0.0000 52276.3042 -109445.4424 300.4326 -161721.7466 -109094.5197 298.8054 279.4094 310.7416 760397.0648 -9.2864 -9.1389 PRESSURE: 3070000 271.112 44.9711 -96.417 44.9717 225.906 108.176 -96.4169 108.176 300.376 GPRESSURE: 3070000 263.698 -43.3013 -88.6528 -102.585 273 203.979 -170.146 98.5228 353.821 PRESSAVG: 3070000 48.8261 -12.1626 -80.5665 -12.1626 -13.0766 26.9001 -80.5664 26.9002 -6.34163 GPRESSAVG: 3070000 47.7917 -12.5729 -80.2628 -11.6385 -12.1159 26.4301 -81.2815 26.6279 -6.01313 TIMING: 3070000 CPU: 9590.95, 0.00312536/step Wall: 9590.95, 0.00312536/step, 1.67554 hours remaining, 233.539062 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: 3070000 4004.1916 20521.6219 14397.8517 236.8524 -203645.4121 2913.6032 0.0000 0.0000 52368.3375 -109202.9538 300.9616 -161571.2913 -108831.8298 299.5808 265.7979 296.8396 759561.0218 9.8026 9.8876 PRESSURE: 3070200 4.58382 -93.3635 -158.834 -93.3632 -142.703 -24.6432 -158.834 -24.6438 260.631 GPRESSURE: 3070200 43.2925 -42.9396 -104.07 -177.483 -107.54 -42.8615 -140.715 -45.7947 272.932 PRESSAVG: 3070200 24.5114 27.3602 2.23575 27.3602 -3.11009 -47.2079 2.23569 -47.2079 -8.03615 GPRESSAVG: 3070200 24.5641 28.73 0.580456 26.8198 -4.45364 -47.0413 2.7621 -48.7765 -6.73828 TIMING: 3070200 CPU: 9591.58, 0.0031509/step Wall: 9591.58, 0.0031509/step, 1.68906 hours remaining, 233.539062 MB of memory in use. ENERGY: 3070200 3939.5704 20423.3450 14492.4472 259.1592 -203221.1452 2734.4624 0.0000 0.0000 52028.0150 -109344.1459 299.0057 -161372.1609 -108986.4173 299.4444 40.8372 69.5615 759801.5112 4.4551 4.4574 PRESSURE: 3070400 -11.3269 -61.266 82.6023 -61.2657 81.1608 95.7584 82.6021 95.7576 276.6 GPRESSURE: 3070400 39.1129 -16.5218 114.29 94.2383 95.3776 77.3533 -29.357 200.524 291.203 PRESSAVG: 3070400 30.485 24.8145 -54.0576 24.8146 6.44241 29.0702 -54.0577 29.0702 -17.5581 GPRESSAVG: 3070400 30.936 25.1164 -52.7035 24.0059 6.80535 29.4588 -56.1308 29.2698 -18.4676 TIMING: 3070400 CPU: 9592.21, 0.00314586/step Wall: 9592.21, 0.00314586/step, 1.68618 hours remaining, 233.539062 MB of memory in use. ENERGY: 3070400 3908.9369 20540.2428 14427.4128 240.0372 -203113.3370 2599.0632 0.0000 0.0000 52149.3961 -109248.2480 299.7033 -161397.6441 -108886.8608 299.5292 115.4780 141.8980 760138.9685 6.4564 6.4246 PRESSURE: 3070600 145.049 92.6638 145.058 92.6636 140.487 -155.182 145.058 -155.182 429.349 GPRESSURE: 3070600 234.03 116.869 63.3042 49.2947 161.63 -189.414 93.6427 -116.924 416.127 PRESSAVG: 3070600 79.4652 -7.34032 -46.1592 -7.34039 7.95023 -13.9547 -46.1592 -13.9547 17.5258 GPRESSAVG: 3070600 78.3817 -9.54115 -47.5855 -6.80335 8.70707 -14.7438 -42.4725 -13.2665 17.9959 TIMING: 3070600 CPU: 9592.84, 0.00315245/step Wall: 9592.84, 0.00315245/step, 1.68954 hours remaining, 233.539062 MB of memory in use. ENERGY: 3070600 3892.6597 20437.8482 14439.9691 244.4598 -203684.4245 2882.1375 0.0000 0.0000 52448.5414 -109338.8088 301.4225 -161787.3502 -108971.6073 299.2732 238.2949 270.5957 760959.7107 34.9804 35.0282 PRESSURE: 3070800 223.9 -51.3014 -150.744 -51.3009 -173.135 186.028 -150.744 186.029 379.982 GPRESSURE: 3070800 220.627 -100.477 -185.6 -129.711 -24.7381 137.167 -73.0659 112.792 331.739 PRESSAVG: 3070800 -18.4176 24.4512 -10.6357 24.4512 4.16919 -8.64768 -10.6357 -8.64768 15.5059 GPRESSAVG: 3070800 -17.1501 24.3913 -11.6349 24.5296 4.56571 -8.91317 -11.9878 -8.99031 13.5905 TIMING: 3070800 CPU: 9593.47, 0.00316146/step Wall: 9593.47, 0.00316146/step, 1.69419 hours remaining, 233.539062 MB of memory in use. ENERGY: 3070800 4003.4542 20418.2637 14401.7250 242.5373 -203190.1511 2709.3543 0.0000 0.0000 52000.7453 -109414.0713 298.8490 -161414.8166 -109053.8428 299.5951 143.5822 175.8759 762358.6334 0.4192 0.3354 PRESSURE: 3071000 90.877 -76.291 -181.538 -76.2908 -213.214 -73.0734 -181.538 -73.0744 -481.399 GPRESSURE: 3071000 17.5695 -89.4571 -119.264 -263.062 -146.826 -101.206 -116.207 -184.495 -385.209 PRESSAVG: 3071000 26.6163 -37.1295 -62.6381 -37.1295 5.80206 31.7105 -62.6382 31.7106 -35.2706 GPRESSAVG: 3071000 25.1848 -37.2935 -60.349 -36.7716 6.96665 31.7989 -61.8955 31.2597 -34.6741 TIMING: 3071000 CPU: 9594.1, 0.00313898/step Wall: 9594.1, 0.00313898/step, 1.68197 hours remaining, 233.539062 MB of memory in use. ENERGY: 3071000 4070.2790 20294.9723 14468.6200 264.5548 -202939.3326 2444.6392 0.0000 0.0000 52092.5897 -109303.6777 299.3768 -161396.2673 -108945.5531 298.8065 -201.2454 -171.4885 761199.0430 -0.9508 -0.8409 PRESSURE: 3071200 -205.058 -21.3186 -174.591 -21.3181 37.3769 -58.0591 -174.591 -58.059 -90.7679 GPRESSURE: 3071200 -200.875 60.2399 -142.686 -62.4746 82.0916 -116.166 -222.504 -97.012 -58.4711 PRESSAVG: 3071200 -32.0832 22.0179 -48.9637 22.0179 10.4028 -59.5196 -48.9636 -59.5196 -3.90331 GPRESSAVG: 3071200 -31.734 23.6997 -48.2017 22.5171 8.26747 -58.6237 -51.8062 -58.5791 -2.11415 TIMING: 3071200 CPU: 9594.73, 0.00315554/step Wall: 9594.73, 0.00315555/step, 1.69067 hours remaining, 233.539062 MB of memory in use. ENERGY: 3071200 4037.6303 20599.4214 14453.5980 250.9038 -202915.1195 2511.4281 0.0000 0.0000 51893.6703 -109168.4676 298.2336 -161062.1379 -108807.7078 299.5949 -86.1497 -59.0849 761566.7152 -8.5279 -8.5269 PRESSURE: 3071400 18.7557 43.777 224.909 43.7772 -248.074 -6.91884 224.909 -6.91984 267.737 GPRESSURE: 3071400 31.2186 20.5012 288.039 50.9261 -233.973 -4.40893 128.993 59.4546 326.444 PRESSAVG: 3071400 -76.8546 -44.4217 -35.6003 -44.4217 44.125 -0.0515923 -35.6003 -0.0516466 12.5202 GPRESSAVG: 3071400 -76.6124 -46.1936 -37.1801 -45.5372 43.6239 0.594246 -33.7807 0.855797 12.8176 TIMING: 3071400 CPU: 9595.36, 0.00316464/step Wall: 9595.36, 0.00316464/step, 1.69537 hours remaining, 233.539062 MB of memory in use. ENERGY: 3071400 4085.8213 20652.1835 14432.4218 250.6213 -203237.3010 2517.2533 0.0000 0.0000 52156.6563 -109142.3435 299.7450 -161298.9999 -108783.8178 299.6786 12.8064 41.2301 760989.4211 -6.7365 -6.7236 PRESSURE: 3071600 61.5324 -222.06 -34.4328 -222.059 -101.368 -73.1725 -34.4331 -73.172 -60.8912 GPRESSURE: 3071600 78.1679 -244.826 -14.3442 -290.102 10.2999 -79.9819 -196.476 0.3822 -114.913 PRESSAVG: 3071600 -1.46851 -82.4605 -2.99211 -82.4604 -38.3927 30.6511 -2.99212 30.6511 16.1843 GPRESSAVG: 3071600 -2.91819 -82.5097 -1.99903 -80.8524 -35.924 29.1952 -4.04868 29.364 14.9783 TIMING: 3071600 CPU: 9596, 0.00317313/step Wall: 9596, 0.00317313/step, 1.69974 hours remaining, 233.539062 MB of memory in use. ENERGY: 3071600 4053.0503 20630.2178 14436.3934 256.3808 -203217.9946 2606.9014 0.0000 0.0000 52177.8281 -109057.2228 299.8667 -161235.0509 -108701.8561 300.1026 -33.5754 -8.8149 761403.3699 -7.8923 -7.9547 PRESSURE: 3071800 -282.725 -251.698 265.137 -251.698 24.6014 -137.262 265.137 -137.263 89.772 GPRESSURE: 3071800 -280.144 -167.327 326.79 -157.857 55.0347 -178.427 72.7658 -64.7109 139.712 PRESSAVG: 3071800 -43.6961 -51.997 9.33609 -51.9969 66.4484 14.0991 9.33611 14.0991 1.83072 GPRESSAVG: 3071800 -42.5431 -51.1973 7.24772 -52.8781 65.6305 14.2921 8.81672 13.9524 1.58553 TIMING: 3071800 CPU: 9596.62, 0.00314173/step Wall: 9596.62, 0.00314173/step, 1.68274 hours remaining, 233.539062 MB of memory in use. ENERGY: 3071800 3992.3369 20448.0842 14460.9104 267.4010 -203006.5190 2603.3319 0.0000 0.0000 52196.4598 -109037.9946 299.9738 -161234.4545 -108672.2896 300.1565 -56.1171 -28.4656 760666.6557 8.1943 8.2243 PRESSURE: 3072000 268.713 136.214 -7.97686 136.215 172.976 -13.6787 -7.97562 -13.6782 -141.346 GPRESSURE: 3072000 253.223 162.016 90.189 21.7671 294.433 0.7227 -3.7332 -8.69559 -161.027 PRESSAVG: 3072000 -25.4795 -11.5568 -12.6911 -11.5567 -2.77072 37.9854 -12.691 37.9854 12.6484 GPRESSAVG: 3072000 -24.6716 -12.7698 -11.642 -11.9625 -3.57863 38.4446 -12.0132 36.4283 12.4136 TIMING: 3072000 CPU: 9597.25, 0.00315427/step Wall: 9597.25, 0.00315427/step, 1.68929 hours remaining, 233.539062 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: 3072000 4114.5593 20573.8128 14452.7945 238.4469 -203510.2183 2788.9345 0.0000 0.0000 52242.5971 -109099.0732 300.2389 -161341.6703 -108744.6724 300.0440 100.1146 128.8761 759430.4719 -5.2006 -5.2789 PRESSURE: 3072200 75.1449 -76.5117 -245.127 -76.5116 -96.7952 -99.0772 -245.127 -99.0773 -172.506 GPRESSURE: 3072200 174.67 -157.457 -195.728 -71.146 -62.1658 -155.332 -221.957 21.8489 -192.767 PRESSAVG: 3072200 40.3129 56.3889 -44.1345 56.3888 -73.2815 -7.2722 -44.1344 -7.27222 11.9739 GPRESSAVG: 3072200 39.6086 57.3951 -43.2402 57.9078 -73.1797 -7.09317 -42.5638 -4.76454 12.0087 TIMING: 3072200 CPU: 9597.89, 0.00315641/step Wall: 9597.89, 0.00315641/step, 1.69026 hours remaining, 233.539062 MB of memory in use. ENERGY: 3072200 4083.7565 20687.8285 14437.7254 272.0432 -203045.6764 2497.8186 0.0000 0.0000 52117.4386 -108949.0656 299.5196 -161066.5042 -108593.0469 299.6369 -64.7187 -26.7540 761524.4939 -6.9982 -7.1875 LDB: ============= START OF LOAD BALANCING ============== 9610.37 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9610.37 LDB: =============== DONE WITH MIGRATION ================ 9610.37 LDB: ============= START OF LOAD BALANCING ============== 9610.69 LDB: Largest compute 7050 load 0.029218 is 15.0% of average load 0.195180 LDB: Average compute 0.004377 is 2.2% of average load 0.195180 LDB: TIME 9610.69 LOAD: AVG 0.19518 MAX 0.215933 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.309 MB LDB: TIME 9610.69 LOAD: AVG 0.19518 MAX 0.215933 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.402 MB LDB: TIME 9610.69 LOAD: AVG 0.19518 MAX 0.215933 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.402 MB LDB: ============== END OF LOAD BALANCING =============== 9610.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9610.7 PRESSURE: 3072400 42.0822 -35.9198 98.5669 -35.9195 93.8972 -28.2732 98.5665 -28.2736 265.177 GPRESSURE: 3072400 130.282 -189.589 47.7132 -65.8733 156.696 24.1824 -52.9559 -14.6793 204.591 PRESSAVG: 3072400 -9.71248 -22.9505 0.847749 -22.9505 1.18997 -18.5713 0.847664 -18.5713 0.447897 GPRESSAVG: 3072400 -10.6765 -23.1652 0.848698 -24.7635 1.65543 -17.2793 -0.317479 -18.5301 0.640856 TIMING: 3072400 CPU: 9598.53, 0.00323562/step Wall: 9598.53, 0.00323562/step, 1.73249 hours remaining, 234.765625 MB of memory in use. ENERGY: 3072400 3964.3388 20661.2852 14487.1370 259.0087 -202947.8132 2540.5088 0.0000 0.0000 52365.6583 -108669.8763 300.9462 -161035.5346 -108306.6894 300.8613 133.7187 163.8564 760961.3567 -2.6915 -2.7934 PRESSURE: 3072600 -340.712 149.273 155.574 149.273 -32.6513 -44.6431 155.574 -44.6445 -402.871 GPRESSURE: 3072600 -303.236 139.846 87.482 213.333 -16.7337 -107.951 204.651 -59.8374 -368.62 PRESSAVG: 3072600 28.2003 41.2457 -9.58651 41.2458 -10.5925 0.0811464 -9.58659 0.0811775 17.9018 GPRESSAVG: 3072600 28.5269 41.933 -9.8896 42.7051 -11.903 -1.04012 -10.3738 0.331032 18.6773 TIMING: 3072600 CPU: 9599.16, 0.00314977/step Wall: 9599.16, 0.00314977/step, 1.68635 hours remaining, 234.968750 MB of memory in use. ENERGY: 3072600 3931.1694 20556.5525 14374.0117 229.5796 -202387.7315 2250.8100 0.0000 0.0000 52485.4241 -108560.1842 301.6345 -161045.6083 -108200.2423 301.0206 -258.7450 -229.5298 762609.4386 11.8365 11.7670 PRESSURE: 3072800 -220.148 -235.903 -93.7822 -235.903 -180.684 142.496 -93.7815 142.496 77.8541 GPRESSURE: 3072800 -149.787 -203.978 -92.6237 -299.886 -224.845 161.18 -19.5178 156.286 116.601 PRESSAVG: 3072800 5.32783 21.8138 19.4853 21.8139 -1.51102 -20.2844 19.4853 -20.2844 11.5924 GPRESSAVG: 3072800 6.19601 22.9739 19.3956 21.918 -2.58137 -20.2456 19.4634 -20.6243 11.7435 TIMING: 3072800 CPU: 9599.8, 0.00317521/step Wall: 9599.8, 0.00317521/step, 1.6998 hours remaining, 234.968750 MB of memory in use. ENERGY: 3072800 4042.6983 20542.9923 14475.3762 248.7847 -202687.1636 2307.8502 0.0000 0.0000 52572.6433 -108496.8186 302.1357 -161069.4619 -108127.9750 300.9057 -107.6593 -86.0107 762164.7982 5.1364 5.1194 PRESSURE: 3073000 576.008 -6.42778 221.762 -6.42821 -66.0609 -86.492 221.761 -86.4916 -276.612 GPRESSURE: 3073000 516.31 9.07254 52.8877 -112.302 -5.79574 -117.44 316.82 -125.544 -213.08 PRESSAVG: 3073000 61.5959 -27.7366 7.80787 -27.7367 -53.3434 -5.00176 7.80787 -5.00169 -14.3712 GPRESSAVG: 3073000 60.8609 -29.4695 5.19654 -27.822 -53.0207 -6.12367 9.5444 -5.92929 -14.011 TIMING: 3073000 CPU: 9600.43, 0.00315572/step Wall: 9600.43, 0.00315572/step, 1.68919 hours remaining, 234.968750 MB of memory in use. ENERGY: 3073000 4058.4357 20769.8467 14423.9706 258.3154 -203014.3612 2688.5934 0.0000 0.0000 52153.8447 -108661.3547 299.7289 -160815.1994 -108294.0016 300.8260 77.7787 99.1450 762650.5482 -2.0395 -2.0569 PRESSURE: 3073200 -140.149 10.5307 -116.302 10.5316 -278.789 -114.703 -116.301 -114.703 -20.425 GPRESSURE: 3073200 -143.227 -0.0562475 -143.642 -45.1214 -222.287 -100.556 -51.9857 -59.2848 5.55086 PRESSAVG: 3073200 55.0501 -35.7694 10.4749 -35.7694 -3.44987 -16.8544 10.4749 -16.8545 6.12128 GPRESSAVG: 3073200 53.5893 -36.1129 12.7653 -34.0485 -1.22657 -15.3159 9.32055 -17.8043 5.7472 TIMING: 3073200 CPU: 9601.06, 0.0031671/step Wall: 9601.06, 0.0031671/step, 1.6951 hours remaining, 234.968750 MB of memory in use. ENERGY: 3073200 4011.2305 20695.5229 14397.1747 238.9884 -202666.6213 2449.3880 0.0000 0.0000 52051.6056 -108822.7110 299.1413 -160874.3167 -108462.6934 300.3600 -146.4542 -119.9877 763016.2123 19.2405 19.3700 PRESSURE: 3073400 -39.0973 132.544 -1.46552 132.544 22.8138 -374.543 -1.46493 -374.544 99.9769 GPRESSURE: 3073400 23.5906 141.343 19.1253 116.175 -20.886 -398.61 35.9296 -222.794 164.976 PRESSAVG: 3073400 53.2659 21.4017 -2.15778 21.4016 20.2121 -13.989 -2.1578 -13.9891 5.72732 GPRESSAVG: 3073400 54.7439 22.2459 -3.21896 19.4178 19.3252 -14.9555 -1.86775 -14.1485 4.51855 TIMING: 3073400 CPU: 9601.7, 0.00316968/step Wall: 9601.7, 0.00316968/step, 1.69631 hours remaining, 234.968750 MB of memory in use. ENERGY: 3073400 3984.9578 20563.9352 14402.7772 269.2964 -202890.3298 2576.0506 0.0000 0.0000 52225.0347 -108868.2781 300.1380 -161093.3128 -108503.4030 300.4928 27.8978 55.8934 760683.4674 26.4018 26.1959 PRESSURE: 3073600 32.7028 60.7715 81.4107 60.7711 82.7132 -456.812 81.4101 -456.81 -282.754 GPRESSURE: 3073600 13.3133 -6.90247 80.5545 -3.25538 119.344 -469.395 64.6827 -336.337 -224.752 PRESSAVG: 3073600 25.8852 31.393 13.3832 31.393 -37.8141 26.8359 13.3833 26.836 -8.25644 GPRESSAVG: 3073600 25.5121 30.308 14.2299 31.4381 -38.0573 27.2652 11.6893 27.9362 -7.84024 TIMING: 3073600 CPU: 9602.33, 0.00315351/step Wall: 9602.33, 0.00315351/step, 1.68748 hours remaining, 234.968750 MB of memory in use. ENERGY: 3073600 4011.2657 20553.7873 14421.4791 265.7356 -203176.0089 2680.1638 0.0000 0.0000 52232.1528 -109011.4246 300.1789 -161243.5774 -108650.5762 299.8533 -55.7794 -30.6984 761971.2599 -6.7284 -6.7952 PRESSURE: 3073800 14.2613 -154.952 -32.6679 -154.952 -24.4662 -2.12736 -32.6682 -2.12677 -171.309 GPRESSURE: 3073800 9.50665 -137.64 -130.884 -46.8477 61.6905 21.7654 -16.8756 18.1586 -158.664 PRESSAVG: 3073800 19.1343 2.33872 -2.09309 2.3388 -28.8111 -12.9847 -2.0931 -12.9846 -4.6197 GPRESSAVG: 3073800 19.0227 0.656112 -2.12987 1.72232 -28.1479 -14.8407 -1.8581 -10.6579 -4.98767 TIMING: 3073800 CPU: 9602.96, 0.00316143/step Wall: 9602.96, 0.00316143/step, 1.69154 hours remaining, 234.968750 MB of memory in use. ENERGY: 3073800 4027.6330 20620.9273 14469.0465 249.0827 -203254.7933 2740.6709 0.0000 0.0000 52186.2847 -108961.1482 299.9153 -161147.4329 -108586.8154 299.7911 -60.5045 -29.1555 763540.0260 -4.7655 -4.7043 PRESSURE: 3074000 66.8563 -56.8774 -63.0506 -56.8766 218.234 -323.939 -63.0511 -323.938 -104.296 GPRESSURE: 3074000 81.3731 -70.814 -79.1255 -4.09285 259.68 -223.5 76.0776 -135.707 -85.9752 PRESSAVG: 3074000 28.5436 -34.381 -9.86185 -34.381 -14.3341 -62.8539 -9.86186 -62.8539 -12.4828 GPRESSAVG: 3074000 27.1593 -30.5683 -9.93088 -34.3059 -13.6271 -62.1729 -7.41568 -63.9049 -11.8425 TIMING: 3074000 CPU: 9603.59, 0.00316523/step Wall: 9603.59, 0.00316523/step, 1.6934 hours remaining, 234.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3074000 4040.2688 20567.6290 14464.9000 252.9443 -203566.1071 3037.0569 0.0000 0.0000 52269.9574 -108933.3507 300.3962 -161203.3081 -108569.7145 300.5050 60.2650 85.0261 763979.6875 0.5756 0.5632 PRESSURE: 3074200 21.9064 108.201 41.6145 108.202 53.4097 -35.1515 41.6139 -35.1531 258.247 GPRESSURE: 3074200 59.8768 184.059 51.3615 56.0346 87.0709 -47.0861 46.8943 26.3851 286.943 PRESSAVG: 3074200 -37.5837 13.5402 -52.0371 13.5403 64.0904 -16.672 -52.0372 -16.6721 2.84218 GPRESSAVG: 3074200 -37.2773 11.6014 -51.4945 14.3019 63.504 -15.7354 -52.5907 -18.212 2.68561 TIMING: 3074200 CPU: 9604.23, 0.00316256/step Wall: 9604.23, 0.00316256/step, 1.69179 hours remaining, 234.968750 MB of memory in use. ENERGY: 3074200 3898.8407 20581.3505 14445.2283 287.6045 -203315.3569 2925.3954 0.0000 0.0000 52290.8815 -108886.0559 300.5164 -161176.9374 -108520.3212 300.3148 111.1877 144.6302 763960.9407 9.7830 9.6374 PRESSURE: 3074400 -26.9087 -181.453 -202.152 -181.453 -152.898 -70.1135 -202.152 -70.1142 109.762 GPRESSURE: 3074400 -72.3984 -91.29 -128.648 -129.786 -21.9142 -82.952 -218.473 -1.60855 109.213 PRESSAVG: 3074400 -69.1837 -17.4745 -4.30534 -17.4744 22.484 -21.3162 -4.30539 -21.3161 22.5505 GPRESSAVG: 3074400 -68.3085 -15.7059 -4.09959 -17.5269 22.7861 -22.8995 -4.71809 -19.5273 21.6711 TIMING: 3074400 CPU: 9604.86, 0.00315208/step Wall: 9604.86, 0.00315208/step, 1.68602 hours remaining, 234.968750 MB of memory in use. ENERGY: 3074400 3975.3559 20638.4266 14428.6331 281.9832 -202687.8731 2345.4142 0.0000 0.0000 52268.0214 -108750.0386 300.3850 -161018.0600 -108391.0368 300.4495 -23.3483 4.9668 761723.1208 -8.0497 -7.9504 PRESSURE: 3074600 -66.091 18.0936 -68.0921 18.0944 225.111 25.6242 -68.0919 25.6239 -7.54127 GPRESSURE: 3074600 -19.9042 -48.3333 -80.2886 -10.636 303.696 43.8081 -4.54002 0.466017 -45.4515 PRESSAVG: 3074600 3.62139 -13.1405 -3.22372 -13.1404 68.7186 69.8394 -3.22376 69.8395 -4.09656 GPRESSAVG: 3074600 2.39301 -13.751 -4.98181 -14.3341 67.8902 71.3696 -4.90598 69.3167 -3.31986 TIMING: 3074600 CPU: 9605.48, 0.00313165/step Wall: 9605.48, 0.00313165/step, 1.67491 hours remaining, 234.968750 MB of memory in use. ENERGY: 3074600 3986.9690 20590.2754 14413.1878 284.4654 -202845.4811 2504.1628 0.0000 0.0000 52345.9509 -108720.4698 300.8329 -161066.4207 -108363.3332 300.9454 50.4930 79.4466 762110.6968 22.7478 22.3211 PRESSURE: 3074800 11.7119 6.48572 -262.503 6.4851 -24.9076 -234.085 -262.503 -234.085 109.811 GPRESSURE: 3074800 36.6466 54.5174 -232.473 -43.5447 33.9171 -225.659 -303.234 -218.823 96.926 PRESSAVG: 3074800 20.4923 -0.935768 -40.5912 -0.935746 -5.61653 38.9972 -40.5912 38.9973 28.8214 GPRESSAVG: 3074800 19.987 -0.180774 -40.5767 0.231985 -5.20018 37.7324 -38.8647 38.5414 29.0423 TIMING: 3074800 CPU: 9606.11, 0.00315139/step Wall: 9606.11, 0.00315139/step, 1.68529 hours remaining, 234.968750 MB of memory in use. ENERGY: 3074800 3949.1646 20601.9351 14487.8495 238.7914 -203154.5023 2647.0940 0.0000 0.0000 52390.8086 -108838.8592 301.0907 -161229.6678 -108482.9413 300.5016 32.2049 55.8299 761672.8542 14.5657 14.6097 PRESSURE: 3075000 88.0594 238.171 -72.6792 238.171 -224.196 21.4802 -72.679 21.4794 57.2514 GPRESSURE: 3075000 93.2351 243.873 -93.753 225.761 -168.724 8.58612 -110.558 -50.8911 85.3485 PRESSAVG: 3075000 -39.8278 29.8825 -46.6985 29.8825 22.1954 -3.44631 -46.6984 -3.44623 -5.2762 GPRESSAVG: 3075000 -39.2991 30.247 -47.6576 27.8789 23.296 -1.47282 -48.8698 -5.1349 -6.53586 TIMING: 3075000 CPU: 9606.74, 0.00312991/step Wall: 9606.74, 0.00312991/step, 1.67363 hours remaining, 234.968750 MB of memory in use. ENERGY: 3075000 4063.7969 20686.8321 14487.1688 258.1338 -202629.7355 2363.1295 0.0000 0.0000 52105.9140 -108664.7603 299.4534 -160770.6743 -108305.9256 300.5847 -26.2950 3.2866 763443.0356 -7.6362 -7.5130 PRESSURE: 3075200 -101.648 -38.1626 -32.8398 -38.1624 -418.545 54.7392 -32.8402 54.7403 -459.5 GPRESSURE: 3075200 -27.9726 -58.0252 -6.02131 54.414 -458.824 37.1592 -194.942 123.867 -396.368 PRESSAVG: 3075200 27.2511 80.5005 -27.2905 80.5005 -9.16104 14.1439 -27.2905 14.1438 8.29617 GPRESSAVG: 3075200 28.4582 77.9984 -27.0139 81.6655 -11.2037 13.5935 -25.9741 16.8029 9.42627 TIMING: 3075200 CPU: 9607.36, 0.00312515/step Wall: 9607.36, 0.00312515/step, 1.67091 hours remaining, 234.968750 MB of memory in use. ENERGY: 3075200 4104.3368 20627.3844 14497.2759 248.9572 -203177.4129 2676.0998 0.0000 0.0000 52287.8507 -108735.5081 300.4990 -161023.3588 -108373.6306 300.5691 -326.5644 -294.3881 762169.7488 8.7954 8.8936 PRESSURE: 3075400 -19.5759 13.7144 76.0986 13.7148 126.635 66.0381 76.0985 66.0385 272.053 GPRESSURE: 3075400 25.1778 55.6592 27.9123 14.6572 190.058 57.668 109.191 13.3132 235.043 PRESSAVG: 3075400 61.1586 -17.2031 -54.2921 -17.2031 -55.7449 -55.1068 -54.2921 -55.1067 -14.9084 GPRESSAVG: 3075400 60.4127 -15.9039 -52.1958 -16.3339 -53.9832 -56.6669 -55.9553 -55.1084 -15.4259 TIMING: 3075400 CPU: 9607.99, 0.00313927/step Wall: 9607.99, 0.00313927/step, 1.67829 hours remaining, 234.968750 MB of memory in use. ENERGY: 3075400 4031.5671 20490.2061 14467.4270 250.3957 -203287.9598 2909.7583 0.0000 0.0000 52458.8566 -108679.7492 301.4818 -161138.6058 -108305.6909 300.5901 126.3707 150.0931 762691.0920 -3.1649 -2.9988 PRESSURE: 3075600 129.53 134.982 -37.56 134.983 -24.412 -146.851 -37.5597 -146.85 -282.651 GPRESSURE: 3075600 148.44 129.18 -14.0477 20.3768 63.9952 -108.898 45.3598 -171.966 -299.282 PRESSAVG: 3075600 -21.2949 5.11434 -7.81021 5.11436 -4.5925 -4.22612 -7.81023 -4.22613 10.6545 GPRESSAVG: 3075600 -21.0451 4.44029 -7.84866 3.78047 -6.394 -3.20187 -6.03599 -3.36366 11.6592 TIMING: 3075600 CPU: 9608.62, 0.00315329/step Wall: 9608.62, 0.00315329/step, 1.68561 hours remaining, 234.968750 MB of memory in use. ENERGY: 3075600 4015.7361 20581.3929 14468.3683 257.6626 -203012.6652 2548.7106 0.0000 0.0000 52231.3091 -108909.4857 300.1741 -161140.7948 -108549.4201 300.7688 -59.1777 -28.9487 763814.6817 -5.0776 -5.2600 PRESSURE: 3075800 -193.895 -248.684 148.525 -248.683 46.8652 173.895 148.525 173.895 -253.764 GPRESSURE: 3075800 -92.4644 -111.934 57.5755 -147.418 4.87015 172.525 86.8679 152.61 -214.78 PRESSAVG: 3075800 18.4035 -24.0474 8.72946 -24.0474 12.9261 -43.4114 8.72947 -43.4113 -12.0087 GPRESSAVG: 3075800 17.0546 -21.3592 7.77038 -23.7079 14.6744 -44.3578 8.91586 -44.5044 -12.6755 TIMING: 3075800 CPU: 9609.25, 0.00313953/step Wall: 9609.25, 0.00313953/step, 1.67808 hours remaining, 234.968750 MB of memory in use. ENERGY: 3075800 4027.6768 20620.2935 14440.5508 250.9187 -203039.0046 2706.1086 0.0000 0.0000 52033.6368 -108959.8196 299.0380 -160993.4564 -108603.5409 300.4091 -133.5981 -100.7915 762736.7505 6.4403 6.3512 PRESSURE: 3076000 -187.665 145.969 6.72616 145.969 -270.325 171.061 6.72594 171.06 -530.76 GPRESSURE: 3076000 -166.942 64.6415 101.229 164.067 -246.191 75.161 17.6878 105.61 -483.939 PRESSAVG: 3076000 -51.3776 -36.9355 16.6133 -36.9354 7.17977 21.2098 16.6132 21.2099 11.7842 GPRESSAVG: 3076000 -48.0937 -39.164 17.9815 -35.0618 6.07963 22.5627 16.3616 21.3739 10.9383 TIMING: 3076000 CPU: 9609.88, 0.00312649/step Wall: 9609.88, 0.00312649/step, 1.67093 hours remaining, 234.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3076000 3973.9585 20540.2357 14555.6781 245.5005 -203033.6881 2492.6017 0.0000 0.0000 52155.3174 -109070.3964 299.7373 -161225.7137 -108706.8259 299.8517 -329.5834 -299.0242 763088.1355 -10.8045 -10.3586 PRESSURE: 3076200 -48.1417 300.662 -137.16 300.661 111.053 60.8739 -137.159 60.8733 -112.045 GPRESSURE: 3076200 -85.5288 456.13 -107.612 284.32 186.098 -22.4591 -210.265 55.3661 -76.0006 PRESSAVG: 3076200 23.043 61.8536 -54.1207 61.8536 -8.61389 6.97137 -54.1207 6.97136 -8.7676 GPRESSAVG: 3076200 21.8521 62.8722 -54.7075 59.9165 -7.45543 7.27687 -53.0251 3.94384 -8.47641 TIMING: 3076200 CPU: 9610.5, 0.00314838/step Wall: 9610.5, 0.00314838/step, 1.68246 hours remaining, 234.968750 MB of memory in use. ENERGY: 3076200 3948.5328 20630.8593 14493.4956 237.2952 -203258.0744 2646.5623 0.0000 0.0000 52128.3195 -109173.0096 299.5822 -161301.3291 -108811.1890 299.1736 -16.3778 8.1894 762513.8250 1.8872 1.9734 LDB: ============= START OF LOAD BALANCING ============== 9622.99 LDB: ============== END OF LOAD BALANCING =============== 9622.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9622.99 LDB: ============= START OF LOAD BALANCING ============== 9623.3 LDB: Largest compute 7050 load 0.031335 is 16.1% of average load 0.195157 LDB: Average compute 0.004400 is 2.3% of average load 0.195157 LDB: TIME 9623.31 LOAD: AVG 0.195157 MAX 0.213319 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.742 MB LDB: TIME 9623.31 LOAD: AVG 0.195157 MAX 0.213319 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.836 MB LDB: TIME 9623.31 LOAD: AVG 0.195157 MAX 0.213319 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.836 MB LDB: ============== END OF LOAD BALANCING =============== 9623.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9623.31 PRESSURE: 3076400 351.617 -190.546 -295.352 -190.545 251.299 -67.0223 -295.353 -67.022 339.624 GPRESSURE: 3076400 401.696 -167.679 -329.529 -147.114 294.255 -9.77275 -303.911 -39.1776 362.067 PRESSAVG: 3076400 32.6777 -21.6416 -36.879 -21.6416 -48.0678 -10.7533 -36.8791 -10.7533 -41.6561 GPRESSAVG: 3076400 32.7566 -21.3481 -37.9572 -20.3478 -47.9917 -12.8738 -37.7704 -7.20932 -41.5114 TIMING: 3076400 CPU: 9611.15, 0.00322276/step Wall: 9611.15, 0.00322276/step, 1.72203 hours remaining, 235.023438 MB of memory in use. ENERGY: 3076400 3924.3410 20493.9693 14522.5090 247.5080 -203337.6781 2594.9621 0.0000 0.0000 52251.8346 -109302.5540 300.2920 -161554.3886 -108934.8852 299.2566 314.1802 352.6726 761394.2853 -19.0154 -18.9155 PRESSURE: 3076600 466.186 47.0075 59.2051 47.0076 -58.8767 -161.031 59.2046 -161.031 -138.499 GPRESSURE: 3076600 472.05 -8.51702 41.4183 98.3161 -36.2208 -51.5638 -63.9659 -246.714 -89.6485 PRESSAVG: 3076600 -4.60727 -19.8005 -53.9735 -19.8006 -22.8721 -55.0204 -53.9735 -55.0205 -5.33954 GPRESSAVG: 3076600 -4.34537 -21.6357 -53.1572 -19.4909 -22.4606 -52.8245 -52.0274 -55.6675 -5.60905 TIMING: 3076600 CPU: 9611.78, 0.00315641/step Wall: 9611.78, 0.00315641/step, 1.6864 hours remaining, 235.023438 MB of memory in use. ENERGY: 3076600 4016.7669 20410.0611 14441.2607 252.6415 -203512.9160 2783.1392 0.0000 0.0000 52036.9614 -109572.0851 299.0571 -161609.0466 -109204.8104 299.0703 89.6035 115.3935 762184.9541 -10.9396 -10.8050 PRESSURE: 3076800 -73.9153 -38.2734 87.2471 -38.2739 -57.0859 182.083 87.247 182.082 70.6637 GPRESSURE: 3076800 17.7543 -80.6437 160.875 -7.09026 -50.6617 266.023 16.2919 156.928 56.0624 PRESSAVG: 3076800 -38.5681 0.974096 -39.5448 0.974166 -14.5915 -12.8683 -39.5448 -12.8683 8.98071 GPRESSAVG: 3076800 -39.8765 3.64545 -39.8419 -1.2256 -14.0357 -13.544 -41.1971 -13.5683 9.8198 TIMING: 3076800 CPU: 9612.41, 0.00315449/step Wall: 9612.41, 0.00315449/step, 1.6852 hours remaining, 235.023438 MB of memory in use. ENERGY: 3076800 3984.4764 20558.2865 14460.8643 254.9167 -203331.6408 2618.4632 0.0000 0.0000 51882.2051 -109572.4285 298.1677 -161454.6336 -109213.1294 298.4280 -20.1125 7.7183 761907.8468 -14.7263 -14.6974 PRESSURE: 3077000 -402.77 -64.3724 -42.4426 -64.3726 -181.471 41.537 -42.4425 41.5366 -7.97641 GPRESSURE: 3077000 -297.284 -131.788 74.7425 -120.668 -58.057 104.299 -23.185 51.7113 -132.082 PRESSAVG: 3077000 -29.9895 1.02399 0.171054 1.02396 51.048 10.0811 0.171013 10.0811 1.70594 GPRESSAVG: 3077000 -28.6999 -0.357743 0.262013 2.57344 50.1848 10.426 0.743646 8.26028 1.73968 TIMING: 3077000 CPU: 9613.04, 0.00316699/step Wall: 9613.04, 0.00316699/step, 1.6917 hours remaining, 235.023438 MB of memory in use. ENERGY: 3077000 4083.2152 20520.4157 14442.4099 227.3970 -203187.8262 2372.5881 0.0000 0.0000 51886.4953 -109655.3050 298.1924 -161541.8003 -109300.6023 298.8072 -197.4059 -162.4746 762028.4274 7.5881 7.7415 PRESSURE: 3077200 169.353 69.9288 -43.5921 69.9283 -127.196 125.12 -43.5918 125.119 140.581 GPRESSURE: 3077200 244.159 98.9799 -133.583 -2.91747 -70.9185 89.3438 -38.0575 105.271 108.279 PRESSAVG: 3077200 7.95985 2.96766 -21.9556 2.96771 -8.90197 13.2666 -21.9556 13.2666 -1.81866 GPRESSAVG: 3077200 6.74433 1.12606 -21.8525 3.59234 -6.95476 12.1863 -23.6393 17.2909 -2.71738 TIMING: 3077200 CPU: 9613.68, 0.00315167/step Wall: 9613.68, 0.00315167/step, 1.68334 hours remaining, 235.023438 MB of memory in use. ENERGY: 3077200 3975.2248 20428.2873 14421.9992 232.9261 -203464.5040 2693.6884 0.0000 0.0000 52130.9034 -109581.4747 299.5970 -161712.3782 -109210.1859 299.0262 60.9125 93.8401 762072.0081 -0.9203 -0.9759 PRESSURE: 3077400 -167.392 -48.5038 40.8575 -48.5038 10.9001 119.652 40.8573 119.651 7.87442 GPRESSURE: 3077400 -94.7436 -106.584 70.9876 -35.3882 20.0418 7.18651 27.7022 54.852 6.86961 PRESSAVG: 3077400 -22.628 2.80235 3.68952 2.80238 13.8014 -36.5651 3.68955 -36.5651 -0.381187 GPRESSAVG: 3077400 -21.7911 3.17217 2.21059 1.08928 11.1256 -36.8944 5.6677 -40.1873 0.992553 TIMING: 3077400 CPU: 9614.3, 0.00313737/step Wall: 9614.3, 0.00313737/step, 1.67553 hours remaining, 235.023438 MB of memory in use. ENERGY: 3077400 3968.1684 20394.3477 14463.0938 251.0663 -203585.5797 2885.6627 0.0000 0.0000 52037.8106 -109585.4301 299.0620 -161623.2408 -109230.5338 298.6488 -49.5391 -22.6107 762070.9230 -3.0693 -3.2243 PRESSURE: 3077600 -252.537 81.0395 65.0397 81.0396 -392.367 348.821 65.0397 348.82 162.016 GPRESSURE: 3077600 -245.654 73.1053 203.102 206.22 -296.851 256.105 28.7874 300.424 175.698 PRESSAVG: 3077600 -21.2719 -33.333 -53.1058 -33.3331 2.43233 0.992837 -53.1058 0.99291 -6.72421 GPRESSAVG: 3077600 -21.2752 -33.6548 -52.6029 -32.2189 3.42252 3.64903 -52.9355 2.82414 -7.32576 TIMING: 3077600 CPU: 9614.93, 0.00313456/step Wall: 9614.93, 0.00313456/step, 1.67385 hours remaining, 235.023438 MB of memory in use. ENERGY: 3077600 4023.2980 20585.9571 14414.9800 255.2878 -203847.7008 2904.8390 0.0000 0.0000 52036.0070 -109627.3319 299.0516 -161663.3389 -109272.4283 299.0894 -160.9626 -122.2690 762320.6675 -8.5213 -8.3928 PRESSURE: 3077800 -154.631 -123.688 -26.8272 -123.688 618.469 -154.565 -26.8272 -154.565 407.891 GPRESSURE: 3077800 3.92827 -109.559 52.5086 -38.5677 537.072 -116.075 9.44378 -120.392 422.756 PRESSAVG: 3077800 -10.7696 -12.3337 -12.4547 -12.3337 3.87315 72.7836 -12.4548 72.7836 -12.4274 GPRESSAVG: 3077800 -9.59552 -10.6808 -11.3117 -13.2363 2.98808 71.2388 -13.3393 71.8889 -12.2106 TIMING: 3077800 CPU: 9615.56, 0.00315434/step Wall: 9615.56, 0.00315434/step, 1.68424 hours remaining, 235.023438 MB of memory in use. ENERGY: 3077800 3966.3482 20455.4041 14430.3658 241.1076 -203321.8986 2961.4962 0.0000 0.0000 51873.0559 -109394.1208 298.1152 -161267.1766 -109038.5661 299.2333 290.5763 321.2519 763010.2692 -6.4413 -6.2727 PRESSURE: 3078000 249.031 117.155 31.2492 117.154 182.106 83.1992 31.2498 83.1997 89.2641 GPRESSURE: 3078000 274.745 116.628 44.6402 -36.1632 294.783 129.174 -16.6825 45.4019 39.6055 PRESSAVG: 3078000 1.308 -9.97313 74.7104 -9.97307 10.9759 19.2327 74.7103 19.2328 -9.01193 GPRESSAVG: 3078000 0.992172 -7.24391 72.5701 -11.531 11.9846 19.4105 75.5263 18.6427 -9.75232 TIMING: 3078000 CPU: 9616.19, 0.00312899/step Wall: 9616.19, 0.00312899/step, 1.67053 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3078000 3955.1248 20583.4486 14476.7951 273.0500 -203602.5606 2834.2558 0.0000 0.0000 52125.3010 -109354.5854 299.5648 -161479.8864 -108992.3711 299.3678 173.4669 203.0445 763007.5620 1.0907 1.0748 PRESSURE: 3078200 -100.74 18.6157 -188.556 18.6165 135.909 83.8945 -188.557 83.895 143.867 GPRESSURE: 3078200 -63.9598 80.9702 -166.479 30.3374 147.238 -48.7892 -185.002 -2.77091 193.942 PRESSAVG: 3078200 -12.583 -21.7675 17.2468 -21.7675 23.9988 15.7064 17.2468 15.7064 -10.5659 GPRESSAVG: 3078200 -13.1283 -25.4279 19.1836 -20.3258 23.3156 16.4422 17.545 17.14 -9.64986 TIMING: 3078200 CPU: 9616.81, 0.0031323/step Wall: 9616.81, 0.0031323/step, 1.67212 hours remaining, 235.023438 MB of memory in use. ENERGY: 3078200 3929.8355 20535.8530 14483.6086 246.8953 -203783.8733 3055.9161 0.0000 0.0000 52288.3474 -109243.4175 300.5019 -161531.7649 -108874.7390 299.4910 59.6787 92.4068 762024.9135 0.2833 0.1791 PRESSURE: 3078400 -470.953 -94.6613 94.5986 -94.6603 -42.8439 159.839 94.599 159.839 -312.432 GPRESSURE: 3078400 -409.95 -66.126 144.744 -80.5754 -7.65834 61.6587 145.188 178.889 -332.325 PRESSAVG: 3078400 -28.4861 -2.30964 -6.86868 -2.30971 -5.3028 17.1936 -6.86866 17.1936 -18.5096 GPRESSAVG: 3078400 -28.7987 -0.66819 -6.51843 0.112125 -4.62961 15.9071 -7.23534 16.56 -18.6225 TIMING: 3078400 CPU: 9617.44, 0.00315979/step Wall: 9617.44, 0.00315979/step, 1.68663 hours remaining, 235.023438 MB of memory in use. ENERGY: 3078400 3950.4069 20494.0161 14460.6943 251.7025 -203498.5408 2608.6868 0.0000 0.0000 52138.4528 -109594.5814 299.6404 -161733.0342 -109238.1439 299.0519 -275.4099 -249.9778 762904.9236 -17.4328 -17.3503 PRESSURE: 3078600 -168.874 8.41525 211.215 8.41653 -180.131 -214.114 211.215 -214.115 -212.624 GPRESSURE: 3078600 -125.517 113.025 180.533 121.924 -224.037 -251.94 154.913 -193.399 -146.85 PRESSAVG: 3078600 -7.59142 25.992 -15.5754 25.9921 15.1503 -17.5089 -15.5754 -17.5089 14.7333 GPRESSAVG: 3078600 -7.64625 25.9451 -16.0286 23.0533 14.217 -16.0063 -16.0147 -17.2537 15.3858 TIMING: 3078600 CPU: 9618.07, 0.00315062/step Wall: 9618.07, 0.00315062/step, 1.68156 hours remaining, 235.023438 MB of memory in use. ENERGY: 3078600 3950.9705 20430.1616 14553.9715 254.0994 -203305.5465 2632.7014 0.0000 0.0000 51873.1451 -109610.4970 298.1157 -161483.6422 -109245.2077 298.3740 -187.2097 -165.4679 762057.1829 7.4307 7.3189 PRESSURE: 3078800 217.732 10.7066 95.6823 10.7065 0.090713 -55.0109 95.6826 -55.0111 -122.338 GPRESSURE: 3078800 233.721 39.7067 74.5111 -3.09654 26.1356 -16.8981 248.746 -93.2107 -97.4077 PRESSAVG: 3078800 69.642 11.2842 24.1597 11.2842 -38.893 -3.80312 24.1597 -3.80307 -12.7591 GPRESSAVG: 3078800 69.6115 12.8347 23.5011 12.7894 -39.1975 -4.14842 25.3071 -2.68259 -12.6254 TIMING: 3078800 CPU: 9618.71, 0.00315486/step Wall: 9618.71, 0.00315486/step, 1.68364 hours remaining, 235.023438 MB of memory in use. ENERGY: 3078800 4021.9722 20582.8520 14474.8070 271.7179 -203784.7926 3038.8818 0.0000 0.0000 51709.4421 -109685.1196 297.1749 -161394.5617 -109339.7144 298.1357 31.8282 54.1495 762737.0675 5.9967 5.9296 PRESSURE: 3079000 123.122 42.8915 -199.145 42.8917 98.411 -155.354 -199.146 -155.356 -345.368 GPRESSURE: 3079000 166.319 70.9735 -167.597 236.923 187.965 -181.234 -134.591 -129.879 -389.526 PRESSAVG: 3079000 11.4991 2.81857 9.75155 2.81857 -19.1686 -23.1436 9.75153 -23.1436 -10.937 GPRESSAVG: 3079000 12.4986 0.486629 11.0646 3.52802 -19.3796 -24.1334 6.87495 -24.4792 -12.4346 TIMING: 3079000 CPU: 9619.33, 0.00314145/step Wall: 9619.33, 0.00314145/step, 1.67631 hours remaining, 235.023438 MB of memory in use. ENERGY: 3079000 3972.4335 20380.9578 14409.9887 245.6712 -203635.3064 2816.9171 0.0000 0.0000 51975.3927 -109833.9455 298.7033 -161809.3381 -109469.9504 298.0682 -41.2784 -11.7475 762165.9525 -6.2022 -6.4385 PRESSURE: 3079200 -139.566 -11.9219 -121.628 -11.9217 86.6913 10.5332 -121.629 10.5338 -570.641 GPRESSURE: 3079200 -109.775 -99.4484 15.837 46.131 107.263 62.8783 -107.413 -72.4965 -525.857 PRESSAVG: 3079200 -7.12014 -8.38279 -63.7252 -8.38278 -29.7615 0.773361 -63.7252 0.773398 -5.11064 GPRESSAVG: 3079200 -8.58309 -6.62765 -63.8835 -8.52252 -29.5029 1.73211 -61.5426 -0.494341 -4.35331 TIMING: 3079200 CPU: 9619.96, 0.00313618/step Wall: 9619.96, 0.00313618/step, 1.67332 hours remaining, 235.023438 MB of memory in use. ENERGY: 3079200 3969.1265 20433.2094 14461.7154 258.6141 -203723.9105 2839.9327 0.0000 0.0000 52067.1430 -109694.1694 299.2306 -161761.3124 -109333.3445 297.9648 -207.8385 -176.1229 763996.0127 -13.9974 -14.1464 PRESSURE: 3079400 -311.066 131.203 -143.489 131.203 -415.759 122.625 -143.489 122.624 -105.381 GPRESSURE: 3079400 -212.186 148.624 -102.746 92.9517 -377.881 106.575 -164.464 47.2382 -138.193 PRESSAVG: 3079400 5.33759 54.2794 6.38864 54.2794 2.45422 -54.4456 6.38872 -54.4457 19.7505 GPRESSAVG: 3079400 6.35303 53.2861 5.83992 52.6933 1.33257 -55.9017 6.30297 -52.6953 20.5436 TIMING: 3079400 CPU: 9620.59, 0.00313993/step Wall: 9620.59, 0.00313993/step, 1.67515 hours remaining, 235.023438 MB of memory in use. ENERGY: 3079400 3966.5047 20441.1867 14549.5650 244.5449 -203429.4684 2641.6906 0.0000 0.0000 51863.8359 -109722.1407 298.0622 -161585.9766 -109365.0327 298.8915 -277.4020 -242.7533 763608.0538 9.1808 9.4097 PRESSURE: 3079600 -34.1983 66.0238 7.60712 66.0235 -144.123 211.631 7.6074 211.63 -47.9621 GPRESSURE: 3079600 52.184 105.446 -7.37391 53.7991 -60.6705 166.645 96.5346 53.6389 -100.594 PRESSAVG: 3079600 -28.7135 32.5304 -3.71252 32.5304 1.43704 -11.961 -3.71252 -11.9611 -7.97107 GPRESSAVG: 3079600 -29.1068 32.6137 -3.39019 34.4455 2.68552 -9.35538 -3.55156 -13.7808 -8.60705 TIMING: 3079600 CPU: 9621.22, 0.00316677/step Wall: 9621.22, 0.00316677/step, 1.68929 hours remaining, 235.023438 MB of memory in use. ENERGY: 3079600 3981.0050 20307.2269 14427.3500 241.4334 -203431.8237 2707.5265 0.0000 0.0000 52064.0876 -109703.1942 299.2130 -161767.2818 -109342.6021 298.1939 -75.4277 -36.3602 764672.0387 -11.7492 -11.6761 PRESSURE: 3079800 71.497 78.1059 52.3492 78.1063 54.5466 -102.391 52.3497 -102.39 89.6779 GPRESSURE: 3079800 108.413 -15.1672 -49.2972 62.8623 121.957 -149.617 34.8534 -86.6207 88.4478 PRESSAVG: 3079800 -33.3491 29.2185 6.91219 29.2184 -7.3321 -2.33801 6.91225 -2.33796 -4.81474 GPRESSAVG: 3079800 -32.4282 30.2504 4.94912 27.7982 -8.68704 -3.67496 4.98939 -0.632854 -5.23013 TIMING: 3079800 CPU: 9621.85, 0.00315556/step Wall: 9621.85, 0.00315556/step, 1.68314 hours remaining, 235.023438 MB of memory in use. ENERGY: 3079800 3981.6649 20359.8255 14422.8903 262.0023 -203107.7011 2567.6535 0.0000 0.0000 51915.2790 -109598.3857 298.3578 -161513.6647 -109225.0044 298.5371 71.9072 106.2725 763586.2267 -15.1653 -15.4484 PRESSURE: 3080000 170.213 -315.516 -255.997 -315.516 306.98 -85.3206 -255.997 -85.3209 -241.036 GPRESSURE: 3080000 132.264 -280.145 -262.872 -296.778 365.083 -130.046 -200.469 -147.892 -183.112 PRESSAVG: 3080000 31.4954 -25.086 -64.2359 -25.0861 -8.7282 -27.726 -64.2359 -27.726 13.2635 GPRESSAVG: 3080000 30.0785 -24.4975 -62.913 -23.5131 -7.91372 -28.4959 -63.3009 -29.3701 13.1929 TIMING: 3080000 CPU: 9622.49, 0.00316297/step Wall: 9622.49, 0.00316297/step, 1.68692 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3080000 4033.4270 20416.8469 14421.2157 246.4340 -203348.3543 2822.5448 0.0000 0.0000 51790.2195 -109617.6665 297.6391 -161407.8860 -109257.6307 297.9310 78.7190 104.7449 762858.3386 12.0102 11.7859 PRESSURE: 3080200 34.029 74.8047 240.525 74.8045 664.338 386.504 240.525 386.505 -398.372 GPRESSURE: 3080200 65.8293 14.1514 291.163 -23.5018 623.623 406.38 178.696 362.296 -333.171 PRESSAVG: 3080200 -25.4487 -22.7541 -20.8543 -22.7541 87.7432 49.2975 -20.8543 49.2974 -2.3015 GPRESSAVG: 3080200 -25.4878 -24.8529 -19.7855 -23.509 87.2922 50.2037 -23.3314 49.8849 -2.26191 TIMING: 3080200 CPU: 9623.12, 0.00316349/step Wall: 9623.12, 0.00316349/step, 1.68702 hours remaining, 235.023438 MB of memory in use. ENERGY: 3080200 4035.0378 20458.7078 14519.3557 217.2805 -203395.1755 2785.6930 0.0000 0.0000 51777.2869 -109601.8138 297.5648 -161379.1007 -109240.8680 297.9075 99.9984 118.7604 762441.9489 19.9977 19.8475 LDB: ============= START OF LOAD BALANCING ============== 9635.6 LDB: ============== END OF LOAD BALANCING =============== 9635.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9635.61 LDB: ============= START OF LOAD BALANCING ============== 9635.92 LDB: Largest compute 7050 load 0.030732 is 15.7% of average load 0.195138 LDB: Average compute 0.004404 is 2.3% of average load 0.195138 LDB: TIME 9635.93 LOAD: AVG 0.195138 MAX 0.216234 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.379 MB LDB: TIME 9635.93 LOAD: AVG 0.195138 MAX 0.216234 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.582 MB LDB: TIME 9635.93 LOAD: AVG 0.195138 MAX 0.216234 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.582 MB LDB: ============== END OF LOAD BALANCING =============== 9635.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9635.93 PRESSURE: 3080400 -600.438 -30.2281 128.566 -30.2288 -201.173 71.256 128.567 71.2559 -191.773 GPRESSURE: 3080400 -618.9 -12.7528 65.1308 -82.8391 -143.089 -9.16814 93.448 22.6455 -129.764 PRESSAVG: 3080400 -77.2468 3.05895 -19.5705 3.05893 92.1357 31.9622 -19.5704 31.9622 10.4367 GPRESSAVG: 3080400 -77.585 3.81788 -21.3016 3.24122 91.7292 32.0036 -19.8712 32.067 11.4512 TIMING: 3080400 CPU: 9623.77, 0.00324582/step Wall: 9623.77, 0.00324582/step, 1.73074 hours remaining, 235.847656 MB of memory in use. ENERGY: 3080400 4016.4590 20541.3005 14511.0346 251.9241 -202994.8315 2442.3011 0.0000 0.0000 51604.9281 -109626.8841 296.5742 -161231.8122 -109263.3657 297.9038 -331.1280 -297.2513 763944.2468 8.4419 8.5318 PRESSURE: 3080600 -191.205 -4.06352 53.936 -4.06379 -595.027 -255.303 53.9358 -255.303 -71.7531 GPRESSURE: 3080600 -109.608 -90.5249 172.489 64.8645 -553.489 -209.196 110.864 -166.107 -119.655 PRESSAVG: 3080600 -46.1204 -64.9508 10.5941 -64.9508 39.8205 -108.025 10.594 -108.025 -1.37449 GPRESSAVG: 3080600 -45.3116 -63.7709 11.6434 -65.5085 40.0711 -107.348 12.8225 -108.632 -2.65151 TIMING: 3080600 CPU: 9624.4, 0.00314459/step Wall: 9624.4, 0.00314459/step, 1.67659 hours remaining, 236.175781 MB of memory in use. ENERGY: 3080600 4043.1075 20290.6188 14410.2829 247.1688 -203098.1541 2480.4752 0.0000 0.0000 52071.8465 -109554.6544 299.2576 -161626.5009 -109189.2546 298.4645 -285.9951 -260.9174 763325.6155 -2.5581 -2.6307 PRESSURE: 3080800 -133.809 -68.5344 -228.629 -68.5345 -46.9632 -75.4948 -228.629 -75.4948 -117.009 GPRESSURE: 3080800 -62.3293 -62.4415 -196.51 -42.4948 -39.9689 -84.4999 -249.295 23.8787 -129.157 PRESSAVG: 3080800 -32.7229 -53.322 -37.1799 -53.322 64.8322 -38.7112 -37.1799 -38.7112 -38.5921 GPRESSAVG: 3080800 -33.0764 -52.9789 -38.0636 -53.7991 65.1307 -39.5863 -37.097 -34.6422 -38.3423 TIMING: 3080800 CPU: 9625.03, 0.00316176/step Wall: 9625.03, 0.00316176/step, 1.68557 hours remaining, 236.175781 MB of memory in use. ENERGY: 3080800 3967.9070 20500.1690 14365.0645 245.3037 -203082.5704 2427.8733 0.0000 0.0000 51978.5029 -109597.7499 298.7212 -161576.2528 -109238.1376 297.9290 -99.2604 -77.1519 763206.2494 -2.1609 -2.0960 PRESSURE: 3081000 47.5733 -80.1555 274.561 -80.1557 -15.1431 -6.6049 274.561 -6.60496 271.434 GPRESSURE: 3081000 84.8836 -147.413 223.336 -131.541 -13.4566 -24.3052 146.673 -25.3276 296.125 PRESSAVG: 3081000 -66.2024 -26.618 12.5296 -26.618 24.8435 -4.26814 12.5295 -4.2682 -18.7526 GPRESSAVG: 3081000 -65.9953 -27.2329 14.4691 -25.6995 23.893 -3.10521 9.32388 -6.52205 -18.6212 TIMING: 3081000 CPU: 9625.66, 0.00315603/step Wall: 9625.66, 0.00315603/step, 1.68234 hours remaining, 236.175781 MB of memory in use. ENERGY: 3081000 3917.7332 20433.0192 14486.3821 245.9853 -203284.2564 2718.8651 0.0000 0.0000 52101.7767 -109380.4948 299.4296 -161482.2714 -109023.3223 298.5577 101.2882 122.5172 762755.0669 -20.0372 -20.2412 PRESSURE: 3081200 -111.45 102.385 -82.3071 102.385 -121.306 0.357745 -82.3076 0.357842 -316.453 GPRESSURE: 3081200 -136.8 148.577 -43.5995 167.119 -36.8002 -52.8689 -101.045 -95.8219 -288.575 PRESSAVG: 3081200 11.7944 -40.9209 -27.4077 -40.9209 31.5847 -44.4599 -27.4076 -44.46 22.1701 GPRESSAVG: 3081200 12.2313 -40.5115 -28.4812 -41.6905 32.6644 -46.024 -25.0886 -45.3878 20.607 TIMING: 3081200 CPU: 9626.29, 0.0031423/step Wall: 9626.29, 0.0031423/step, 1.67485 hours remaining, 236.175781 MB of memory in use. ENERGY: 3081200 4060.2038 20291.4303 14457.2275 242.3201 -203133.0273 2585.0993 0.0000 0.0000 52018.9536 -109477.7926 298.9536 -161496.7462 -109111.3667 298.8804 -183.0695 -154.0583 762059.0211 21.8497 21.8342 PRESSURE: 3081400 -129.714 124.013 -18.735 124.012 -48.8845 55.2274 -18.7358 55.2268 -100.556 GPRESSURE: 3081400 -91.7577 19.6982 -9.23936 77.1366 -47.3637 35.7648 -35.2172 91.7505 -65.402 PRESSAVG: 3081400 -8.61864 -19.6278 -13.2293 -19.6278 19.462 -62.8371 -13.2293 -62.837 3.80996 GPRESSAVG: 3081400 -7.94059 -19.3524 -13.5233 -17.3561 17.7395 -62.5107 -13.3564 -62.8496 4.61582 TIMING: 3081400 CPU: 9626.92, 0.00314768/step Wall: 9626.92, 0.00314768/step, 1.67754 hours remaining, 236.175781 MB of memory in use. ENERGY: 3081400 3974.2257 20319.7817 14469.7462 250.1424 -203178.2154 2526.9238 0.0000 0.0000 52233.3301 -109404.0654 300.1857 -161637.3955 -109043.1067 298.5633 -93.0515 -68.1745 761199.6511 4.8845 4.8049 PRESSURE: 3081600 -175.268 115.589 60.7955 115.588 -108.726 -52.0196 60.7948 -52.0206 -234.26 GPRESSURE: 3081600 -216.036 80.0515 11.7684 65.4788 -10.5178 -84.5298 83.9728 -57.669 -192.045 PRESSAVG: 3081600 -66.9428 -36.4326 50.2362 -36.4327 75.9369 34.9634 50.2362 34.9634 -6.77967 GPRESSAVG: 3081600 -69.3712 -39.3185 49.9534 -39.0222 78.9229 37.1305 51.7168 32.3457 -6.70921 TIMING: 3081600 CPU: 9627.55, 0.00315216/step Wall: 9627.55, 0.00315216/step, 1.67975 hours remaining, 236.175781 MB of memory in use. ENERGY: 3081600 3971.7678 20499.2127 14518.8108 241.1134 -203236.1101 2697.9331 0.0000 0.0000 51927.2105 -109380.0618 298.4264 -161307.2723 -109015.5291 299.2617 -172.7513 -139.5331 760988.6744 0.7381 0.9475 PRESSURE: 3081800 263.042 -92.4818 -209.992 -92.4817 -25.0957 9.08506 -209.991 9.0839 387.537 GPRESSURE: 3081800 330.619 -177.184 -247.093 -8.76074 -67.9907 1.0481 -211.287 55.3963 452.549 PRESSAVG: 3081800 -7.59862 -17.4258 -5.97254 -17.4258 3.5606 -65.3473 -5.97252 -65.3473 30.5208 GPRESSAVG: 3081800 -6.36312 -15.5445 -6.66282 -15.5038 1.61349 -64.6387 -8.52232 -62.2418 31.0268 TIMING: 3081800 CPU: 9628.18, 0.00313336/step Wall: 9628.18, 0.00313336/step, 1.66956 hours remaining, 236.312500 MB of memory in use. ENERGY: 3081800 3982.1887 20389.2424 14455.2134 268.0942 -203087.8199 2497.8580 0.0000 0.0000 52021.2314 -109473.9919 298.9667 -161495.2233 -109115.4107 298.9998 208.4946 238.3924 760510.7723 8.8276 8.7591 PRESSURE: 3082000 -222.236 -36.4972 137.901 -36.4979 312.44 -113.232 137.901 -113.232 -228.881 GPRESSURE: 3082000 -37.0055 -51.3093 105.865 -113.176 273.072 -77.6093 211.005 -128.317 -314.784 PRESSAVG: 3082000 -26.1919 -30.2396 -10.3736 -30.2396 3.36677 -53.1465 -10.3736 -53.1466 12.226 GPRESSAVG: 3082000 -25.7086 -30.4079 -8.52494 -32.3906 2.71492 -51.7212 -7.08806 -56.2627 11.7274 TIMING: 3082000 CPU: 9628.8, 0.00314134/step Wall: 9628.8, 0.00314134/step, 1.67364 hours remaining, 236.312500 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: 3082000 3982.2954 20497.3332 14435.9997 256.4034 -202595.3215 2322.8514 0.0000 0.0000 51744.5959 -109355.8425 297.3769 -161100.4384 -108991.8156 298.9789 -46.2255 -26.2391 762679.1435 -3.5331 -3.7554 PRESSURE: 3082200 240.288 -83.9549 -86.9968 -83.9539 -175.228 -238.23 -86.997 -238.23 43.3143 GPRESSURE: 3082200 257.239 -1.7594 -71.3424 -83.7105 -64.4705 -264.844 -73.2744 -185.847 -4.10436 PRESSAVG: 3082200 -43.4608 -22.4217 33.7079 -22.4217 9.54671 -49.5845 33.7078 -49.5845 -4.90664 GPRESSAVG: 3082200 -44.8092 -21.8409 32.615 -19.7154 12.0732 -51.8904 31.1124 -50.0604 -5.93838 TIMING: 3082200 CPU: 9629.43, 0.00314506/step Wall: 9629.43, 0.00314506/step, 1.67544 hours remaining, 236.312500 MB of memory in use. ENERGY: 3082200 3937.8316 20435.1638 14510.3889 250.3045 -203516.9552 2822.2987 0.0000 0.0000 52063.2428 -109497.7249 299.2082 -161560.9677 -109128.9831 298.4240 36.1249 62.8879 762502.1646 -12.9403 -12.8914 PRESSURE: 3082400 -90.9156 -51.0824 25.0345 -51.082 42.0652 -61.5501 25.0342 -61.5501 10.4815 GPRESSURE: 3082400 -179.647 -100.54 58.1385 -162.163 107.35 -23.0967 -20.5843 -77.9482 109.627 PRESSAVG: 3082400 -0.46697 -4.79664 -18.9771 -4.79664 21.8699 -21.9901 -18.9771 -21.9901 4.01333 GPRESSAVG: 3082400 -0.10627 -6.18896 -18.4363 -7.51387 21.0058 -21.446 -19.2952 -20.1137 4.5685 TIMING: 3082400 CPU: 9630.06, 0.00314125/step Wall: 9630.06, 0.00314125/step, 1.67324 hours remaining, 236.312500 MB of memory in use. ENERGY: 3082400 3982.4145 20396.2807 14536.2015 271.5561 -203144.4598 2586.5348 0.0000 0.0000 52083.0592 -109288.4130 299.3221 -161371.4722 -108927.2470 298.8300 -12.7896 12.4435 761894.9219 8.4721 8.4894 PRESSURE: 3082600 207.747 -32.8722 -10.4765 -32.8721 252.768 133.557 -10.4772 133.557 17.8312 GPRESSURE: 3082600 153.37 11.8036 -30.6956 -54.8037 356.784 100.267 -66.3616 190.531 50.0055 PRESSAVG: 3082600 -11.537 -50.6469 -24.3315 -50.6469 20.3707 -26.1868 -24.3315 -26.1868 -8.01924 GPRESSAVG: 3082600 -10.2433 -48.6169 -25.5299 -50.4957 18.6173 -29.1292 -24.672 -23.6387 -7.23283 TIMING: 3082600 CPU: 9630.69, 0.0031587/step Wall: 9630.69, 0.0031587/step, 1.68236 hours remaining, 236.312500 MB of memory in use. ENERGY: 3082600 3917.1496 20567.1936 14529.7744 246.0978 -203663.8136 3120.3030 0.0000 0.0000 51755.2487 -109528.0466 297.4381 -161283.2953 -109166.3712 298.7583 159.4488 186.7198 762734.8529 0.2715 0.3804 PRESSURE: 3082800 475.144 -136.937 -89.9996 -136.936 404.683 -5.73192 -89.9997 -5.73188 601.483 GPRESSURE: 3082800 474.368 -98.0618 -0.661041 -152.433 442.075 19.527 -47.0605 -73.6178 627.216 PRESSAVG: 3082800 9.96004 42.8288 -31.8995 42.8288 -13.2816 26.7875 -31.8995 26.7876 -9.30603 GPRESSAVG: 3082800 10.0584 40.1921 -30.2364 43.2469 -13.6663 29.1214 -30.6824 24.9155 -8.89533 TIMING: 3082800 CPU: 9631.32, 0.0031479/step Wall: 9631.32, 0.0031479/step, 1.67643 hours remaining, 236.312500 MB of memory in use. ENERGY: 3082800 3970.4008 20389.6015 14497.2585 232.8257 -203534.6731 2993.1239 0.0000 0.0000 51939.5189 -109511.9438 298.4971 -161451.4627 -109152.2385 298.4132 493.7698 514.5527 761804.7675 -4.2092 -4.1677 PRESSURE: 3083000 -129.781 51.1907 178.941 51.1901 309.549 -66.6742 178.941 -66.6746 306.859 GPRESSURE: 3083000 -34.7445 88.3522 182.193 108.411 279.529 -81.6377 186.622 -42.9171 343.435 PRESSAVG: 3083000 -20.3038 46.6481 -32.5405 46.6481 44.9075 4.56737 -32.5406 4.5674 18.7387 GPRESSAVG: 3083000 -21.9426 48.8141 -32.7367 46.5139 45.8851 4.42807 -32.5544 6.04301 19.0853 TIMING: 3083000 CPU: 9631.95, 0.00313481/step Wall: 9631.95, 0.00313481/step, 1.66929 hours remaining, 236.312500 MB of memory in use. ENERGY: 3083000 4051.5572 20413.0248 14421.7082 259.0396 -203669.1004 2991.1629 0.0000 0.0000 52157.8428 -109374.7650 299.7518 -161532.6078 -109009.4825 298.7504 162.2088 196.0731 761751.6847 14.4475 14.3426 PRESSURE: 3083200 481.357 -25.2214 135.092 -25.2219 481.923 -103.66 135.092 -103.661 184.325 GPRESSURE: 3083200 457.531 -14.9346 166.25 -69.2801 566.224 -128.113 63.5934 -115.57 193.731 PRESSAVG: 3083200 -28.3241 -25.7267 -36.2596 -25.7266 67.7686 17.1397 -36.2596 17.1396 -3.39844 GPRESSAVG: 3083200 -27.0188 -27.8732 -34.5016 -22.909 67.9144 15.2597 -37.2039 16.8258 -4.28712 TIMING: 3083200 CPU: 9632.58, 0.0031402/step Wall: 9632.58, 0.0031402/step, 1.67198 hours remaining, 236.312500 MB of memory in use. ENERGY: 3083200 3930.7456 20555.5063 14509.7964 250.5566 -203785.9956 2889.5555 0.0000 0.0000 52311.9757 -109337.8597 300.6376 -161649.8353 -108971.1272 299.3174 382.5349 405.8287 761197.5382 12.0153 12.2028 PRESSURE: 3083400 99.4686 -205.641 -10.4621 -205.641 10.2999 -323.511 -10.4625 -323.512 73.3511 GPRESSURE: 3083400 101.894 -146.964 63.3345 -5.84058 78.2771 -219.32 -14.6143 -289.906 108.064 PRESSAVG: 3083400 -16.7888 -40.2357 -9.1908 -40.2357 45.7382 -54.265 -9.19081 -54.2649 4.78612 GPRESSAVG: 3083400 -16.0465 -39.9721 -10.957 -41.6999 44.7522 -52.1931 -9.16287 -55.5599 5.51243 TIMING: 3083400 CPU: 9633.21, 0.00315256/step Wall: 9633.21, 0.00315256/step, 1.67839 hours remaining, 236.312500 MB of memory in use. ENERGY: 3083400 4010.9586 20539.2096 14522.6072 267.1108 -203629.2617 2991.6789 0.0000 0.0000 51938.6062 -109359.0904 298.4919 -161297.6966 -108997.2103 298.9739 61.0399 96.0784 761140.4036 11.2452 11.4060 PRESSURE: 3083600 62.2688 -80.9922 -106.347 -80.9913 174.9 -304.736 -106.346 -304.736 267.846 GPRESSURE: 3083600 99.4356 43.6441 -90.302 -122.375 231.19 -296.085 -166.686 -243.846 251.441 PRESSAVG: 3083600 -14.1785 33.7941 21.7287 33.7941 16.9433 -23.8694 21.7287 -23.8693 32.8239 GPRESSAVG: 3083600 -15.3201 34.2474 23.1296 35.4543 18.3455 -23.6609 22.1388 -24.1497 32.6719 TIMING: 3083600 CPU: 9633.84, 0.0031432/step Wall: 9633.84, 0.0031432/step, 1.67323 hours remaining, 236.312500 MB of memory in use. ENERGY: 3083600 3897.4715 20448.7283 14475.6733 234.1759 -202988.1685 2647.2360 0.0000 0.0000 51979.0058 -109305.8777 298.7241 -161284.8835 -108947.5471 299.0957 168.3382 194.0224 762023.1567 11.8629 11.8991 PRESSURE: 3083800 -242.643 79.1254 91.4682 79.1261 -39.9421 -125.184 91.4669 -125.185 19.7551 GPRESSURE: 3083800 -147.573 39.7747 123.078 173.838 -78.9751 -98.0458 84.063 -83.4717 34.4632 PRESSAVG: 3083800 -26.6549 -16.2994 -8.55331 -16.2994 17.6802 -23.8 -8.55333 -23.8 -1.58007 GPRESSAVG: 3083800 -26.1132 -14.2856 -10.6987 -18.5043 17.1758 -25.4563 -8.09135 -22.5109 -1.56186 TIMING: 3083800 CPU: 9634.47, 0.00315692/step Wall: 9634.47, 0.00315692/step, 1.68036 hours remaining, 236.312500 MB of memory in use. ENERGY: 3083800 4045.7072 20427.1364 14522.1366 248.5426 -203011.2642 2486.6664 0.0000 0.0000 52150.8408 -109130.2343 299.7116 -161281.0751 -108769.8157 299.2014 -87.6101 -64.0282 762264.1501 -3.5183 -3.4998 PRESSURE: 3084000 -61.2982 136.407 -152.869 136.407 -29.4533 61.9797 -152.868 61.9804 480.573 GPRESSURE: 3084000 -3.11943 120.938 -168.753 185.562 33.3154 41.9893 -15.6004 97.4372 442.394 PRESSAVG: 3084000 -17.4 22.5494 -8.27724 22.5494 4.25196 -25.4236 -8.27721 -25.4236 -4.11537 GPRESSAVG: 3084000 -17.2386 21.3824 -8.31404 23.6276 3.04012 -23.5558 -7.37287 -26.3839 -3.52994 TIMING: 3084000 CPU: 9635.1, 0.00314833/step Wall: 9635.1, 0.00314834/step, 1.67561 hours remaining, 236.312500 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: 3084000 4059.1263 20512.7307 14477.4526 255.6059 -203046.2554 2602.7192 0.0000 0.0000 52052.7792 -109085.8416 299.1480 -161138.6208 -108729.7632 299.3679 129.9404 157.5301 762831.1986 -5.7545 -5.9095 PRESSURE: 3084200 176.279 -113.737 -121.155 -113.738 86.9509 170.09 -121.155 170.09 146.242 GPRESSURE: 3084200 216.295 -76.8338 -79.3271 -67.2398 19.4454 103.361 -111.592 179.694 253.393 PRESSAVG: 3084200 -49.8021 22.4011 -28.1213 22.4012 40.1322 17.5283 -28.1212 17.5283 13.5725 GPRESSAVG: 3084200 -49.291 22.6499 -27.0357 21.4496 39.6725 15.9602 -31.3141 17.237 13.6804 TIMING: 3084200 CPU: 9635.73, 0.00314314/step Wall: 9635.73, 0.00314314/step, 1.67267 hours remaining, 236.312500 MB of memory in use. ENERGY: 3084200 3955.6465 20641.3293 14510.2287 245.9324 -203351.2211 2665.4917 0.0000 0.0000 52103.7514 -109228.8412 299.4410 -161332.5926 -108868.5703 299.3888 136.4906 163.0445 760370.5445 1.3009 1.3539 LDB: ============= START OF LOAD BALANCING ============== 9648.21 LDB: ============== END OF LOAD BALANCING =============== 9648.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9648.21 LDB: ============= START OF LOAD BALANCING ============== 9648.53 LDB: Largest compute 7007 load 0.030737 is 15.7% of average load 0.195169 LDB: Average compute 0.004365 is 2.2% of average load 0.195169 LDB: TIME 9648.53 LOAD: AVG 0.195169 MAX 0.212718 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.727 MB LDB: TIME 9648.53 LOAD: AVG 0.195169 MAX 0.212718 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.727 MB LDB: TIME 9648.53 LOAD: AVG 0.195169 MAX 0.212718 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.727 MB LDB: ============== END OF LOAD BALANCING =============== 9648.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9648.54 PRESSURE: 3084400 -5.71021 -14.6274 21.2134 -14.6272 -121.154 -70.7661 21.2138 -70.7663 -21.8094 GPRESSURE: 3084400 -25.2944 -45.4304 -143.69 -65.8954 -91.3798 -92.6374 1.25149 -114.904 35.3838 PRESSAVG: 3084400 -49.9137 -50.8851 -15.9853 -50.8851 46.2682 -6.84939 -15.9852 -6.8494 5.90667 GPRESSAVG: 3084400 -50.9604 -52.143 -18.9844 -51.4487 48.1662 -6.92225 -13.4811 -7.72589 4.93306 TIMING: 3084400 CPU: 9636.37, 0.00321809/step Wall: 9636.37, 0.00321809/step, 1.71238 hours remaining, 235.851562 MB of memory in use. ENERGY: 3084400 4025.4539 20513.8189 14519.8735 253.0497 -203715.3611 3033.5639 0.0000 0.0000 52080.8680 -109288.7333 299.3095 -161369.6013 -108935.3902 299.4704 -49.5577 -27.0968 761768.9439 0.7537 0.7130 PRESSURE: 3084600 -0.28003 -101.215 -102.428 -101.216 -61.6703 -99.8966 -102.427 -99.8965 186.034 GPRESSURE: 3084600 -5.60644 17.9497 -95.4366 -87.1848 50.5098 -139.029 -115.522 -55.3957 183.606 PRESSAVG: 3084600 12.3969 41.8969 -7.41144 41.8968 21.5116 31.2829 -7.41139 31.2829 -12.8437 GPRESSAVG: 3084600 12.0366 43.1189 -4.47633 42.4287 21.4491 31.1731 -8.6024 32.0263 -11.7316 TIMING: 3084600 CPU: 9637, 0.0031302/step Wall: 9637, 0.0031302/step, 1.66544 hours remaining, 236.109375 MB of memory in use. ENERGY: 3084600 4043.5995 20644.4541 14441.9186 240.1040 -203352.7387 2883.8090 0.0000 0.0000 51645.8753 -109452.9783 296.8096 -161098.8536 -109099.6095 299.1101 41.3613 76.1698 763670.2224 7.0216 7.2514 PRESSURE: 3084800 -249.091 -245.1 -160.143 -245.1 -325.286 111.266 -160.144 111.265 146.136 GPRESSURE: 3084800 -134.439 -169.732 -76.7396 -251.108 -296.405 32.4619 -198.361 200.291 83.2761 PRESSAVG: 3084800 2.87107 -30.2685 -8.86568 -30.2685 -13.5393 -27.6489 -8.86573 -27.6488 -6.69667 GPRESSAVG: 3084800 5.4332 -31.6166 -9.65008 -29.0079 -14.704 -27.8125 -7.54702 -27.2271 -7.84461 TIMING: 3084800 CPU: 9637.62, 0.0031331/step Wall: 9637.62, 0.0031331/step, 1.66681 hours remaining, 236.109375 MB of memory in use. ENERGY: 3084800 4134.8442 20481.7210 14525.7294 250.3230 -203289.6770 2515.4741 0.0000 0.0000 51965.5738 -109416.0115 298.6469 -161381.5853 -109052.6514 298.9481 -142.7467 -115.8561 762767.7003 -5.7883 -5.7051 PRESSURE: 3085000 -130.692 -50.8442 -96.4546 -50.8448 -295.976 -175.521 -96.4535 -175.521 -447.734 GPRESSURE: 3085000 -162.95 -55.2864 -144.368 -50.6664 -280.366 -143.823 -38.3123 -126.986 -368.729 PRESSAVG: 3085000 13.6092 -30.3697 -7.36024 -30.3696 -25.6183 8.54976 -7.36025 8.54978 6.90682 GPRESSAVG: 3085000 12.1951 -31.5937 -8.38617 -30.2478 -25.065 9.22374 -5.44504 8.39616 7.61592 TIMING: 3085000 CPU: 9638.25, 0.00314328/step Wall: 9638.25, 0.00314328/step, 1.67205 hours remaining, 236.109375 MB of memory in use. ENERGY: 3085000 4007.3612 20447.6592 14431.5775 240.7512 -203252.2210 2393.5173 0.0000 0.0000 51978.6678 -109752.6868 298.7221 -161731.3545 -109389.4922 298.8043 -291.4673 -270.6813 762370.5408 -1.7008 -1.7513 PRESSURE: 3085200 -13.1705 -107.125 26.0644 -107.125 -93.8358 -4.02222 26.0639 -4.02145 353.778 GPRESSURE: 3085200 78.0037 -49.6265 2.38742 -211.551 -66.0312 23.1208 -54.1967 68.8813 317.754 PRESSAVG: 3085200 -39.1711 42.2808 -28.3373 42.2808 9.84156 4.25598 -28.3373 4.25598 -2.64773 GPRESSAVG: 3085200 -38.2576 43.3276 -27.9293 41.302 9.4636 5.00334 -28.9371 3.63186 -3.14779 TIMING: 3085200 CPU: 9638.88, 0.00314431/step Wall: 9638.88, 0.00314431/step, 1.67242 hours remaining, 236.109375 MB of memory in use. ENERGY: 3085200 3922.0634 20550.8198 14532.6782 243.7323 -203725.8702 2885.7864 0.0000 0.0000 51966.0741 -109624.7159 298.6497 -161590.7900 -109260.7002 298.5736 82.2571 109.9088 762422.8912 -10.6591 -10.6473 PRESSURE: 3085400 -367.875 -19.7799 -152.225 -19.7799 -115.686 125.258 -152.225 125.258 204.463 GPRESSURE: 3085400 -229.396 -50.9296 -175.672 80.8238 -188.814 158.327 -67.7791 144.461 225.468 PRESSAVG: 3085400 -78.1845 13.6292 6.77296 13.6292 79.3534 -1.34165 6.77294 -1.34155 22.8293 GPRESSAVG: 3085400 -77.3873 14.084 5.60477 14.2789 78.3009 -2.372 6.18871 0.0684867 23.07 TIMING: 3085400 CPU: 9639.51, 0.00313029/step Wall: 9639.51, 0.00313029/step, 1.66479 hours remaining, 236.109375 MB of memory in use. ENERGY: 3085400 4059.6962 20462.2538 14477.8096 250.9191 -203528.2604 2772.4988 0.0000 0.0000 51876.7122 -109628.3708 298.1362 -161505.0829 -109269.6383 298.8255 -93.0329 -64.2473 762342.2298 7.9994 7.9945 PRESSURE: 3085600 -11.8931 -141.537 112.681 -141.537 0.205896 -117.233 112.681 -117.233 299.061 GPRESSURE: 3085600 80.4012 -253.917 89.9553 -40.913 47.9719 -83.7797 89.0805 -219.101 239.718 PRESSAVG: 3085600 -39.0601 -16.3146 -30.8079 -16.3145 49.3636 -27.1713 -30.8079 -27.1714 -3.19579 GPRESSAVG: 3085600 -39.4541 -16.3252 -30.1975 -16.5083 49.8071 -26.0965 -33.1343 -29.3813 -2.94341 TIMING: 3085600 CPU: 9640.13, 0.00313509/step Wall: 9640.13, 0.00313509/step, 1.66717 hours remaining, 236.109375 MB of memory in use. ENERGY: 3085600 4046.5795 20192.3024 14386.4122 254.5015 -203387.5653 2798.4745 0.0000 0.0000 52003.2665 -109706.0288 298.8635 -161709.2953 -109346.1991 298.1396 95.7914 122.6969 762359.5120 2.3692 2.4699 PRESSURE: 3085800 -64.6111 -95.5605 -23.706 -95.5599 -70.297 158.446 -23.7064 158.448 -199.134 GPRESSURE: 3085800 -25.0158 -141.204 -14.3926 -102.822 -44.4565 247.475 51.043 87.4997 -180.166 PRESSAVG: 3085800 -21.0839 -5.21925 -1.11733 -5.21924 -6.14378 27.929 -1.11733 27.929 -0.932159 GPRESSAVG: 3085800 -21.2518 -5.40881 -1.3427 -5.64187 -4.92546 28.7366 0.448108 28.9661 -1.99932 TIMING: 3085800 CPU: 9640.76, 0.00313728/step Wall: 9640.76, 0.00313728/step, 1.66816 hours remaining, 236.109375 MB of memory in use. ENERGY: 3085800 3972.3535 20468.0593 14435.0050 257.0533 -203261.1391 2708.2376 0.0000 0.0000 51839.6821 -109580.7484 297.9234 -161420.4305 -109223.3103 298.6082 -111.3473 -83.2126 763230.9624 -9.3866 -9.3922 PRESSURE: 3086000 30.5797 -15.6507 24.9073 -15.6507 228.045 -146.948 24.908 -146.947 438.355 GPRESSURE: 3086000 59.6149 -15.856 -64.8872 20.1672 268.099 -128.657 -25.1222 -225.242 431.697 PRESSAVG: 3086000 -28.3811 -28.7167 17.6367 -28.7166 25.5329 25.4452 17.6367 25.4452 -21.3563 GPRESSAVG: 3086000 -28.2735 -28.2368 18.1919 -29.8119 24.3008 23.2749 17.7101 26.4267 -20.6367 TIMING: 3086000 CPU: 9641.39, 0.00314755/step Wall: 9641.39, 0.00314755/step, 1.67345 hours remaining, 236.109375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3086000 3933.3824 20634.9695 14396.5722 268.8005 -203617.9592 2817.7630 0.0000 0.0000 52149.1510 -109417.3206 299.7019 -161566.4716 -109048.0969 298.8748 232.3263 253.1370 761752.6904 -8.0682 -8.2031 PRESSURE: 3086200 36.4709 -111.932 -32.8047 -111.932 64.9768 86.16 -32.8054 86.1596 -18.4479 GPRESSURE: 3086200 87.3345 -2.63301 -9.78925 -13.9867 145.488 144.552 -32.8882 41.6751 -45.2297 PRESSAVG: 3086200 39.5755 -22.5203 -52.655 -22.5203 -41.3352 -14.0037 -52.655 -14.0037 -35.4482 GPRESSAVG: 3086200 39.8284 -22.802 -52.5288 -20.4009 -40.6934 -13.1056 -53.1334 -14.6975 -36.0474 TIMING: 3086200 CPU: 9642.02, 0.00313712/step Wall: 9642.02, 0.00313712/step, 1.66773 hours remaining, 236.109375 MB of memory in use. ENERGY: 3086200 3968.8993 20496.3266 14451.1669 239.5627 -203527.9944 2763.7952 0.0000 0.0000 52032.1289 -109576.1149 299.0294 -161608.2438 -109212.2792 298.9337 27.6666 62.5310 761627.0307 -12.4027 -12.3041 PRESSURE: 3086400 82.3339 152.163 90.7364 152.162 69.7932 -272.905 90.7363 -272.905 -275.714 GPRESSURE: 3086400 24.9394 11.1776 143.487 133.26 49.0599 -344.568 -18.6037 -145.924 -123.881 PRESSAVG: 3086400 53.494 -9.80909 -9.473 -9.80904 -34.4174 -11.0213 -9.47303 -11.0213 31.4727 GPRESSAVG: 3086400 54.2422 -9.49935 -9.18021 -10.2441 -34.5891 -12.1192 -11.1013 -11.3222 31.3992 TIMING: 3086400 CPU: 9642.65, 0.00314301/step Wall: 9642.65, 0.00314301/step, 1.67069 hours remaining, 236.109375 MB of memory in use. ENERGY: 3086400 4032.5482 20389.4476 14533.5024 246.9599 -202667.7018 2251.1618 0.0000 0.0000 51854.1193 -109359.9625 298.0063 -161214.0818 -108998.3586 298.7687 -41.1957 -16.6273 762710.0296 16.8498 17.0174 PRESSURE: 3086600 68.7672 116.007 -138.478 116.007 436.098 -125.501 -138.477 -125.502 -85.5919 GPRESSURE: 3086600 134.268 182.963 -174.641 115.692 466.896 -96.6555 -152.854 -105.987 -92.8635 PRESSAVG: 3086600 -41.3334 -32.3481 38.0272 -32.3481 64.2404 8.50967 38.0272 8.50964 12.9727 GPRESSAVG: 3086600 -42.4974 -32.6156 38.617 -30.7429 64.7398 8.05003 40.7448 10.0817 14.4344 TIMING: 3086600 CPU: 9643.28, 0.00315647/step Wall: 9643.28, 0.00315647/step, 1.67766 hours remaining, 236.109375 MB of memory in use. ENERGY: 3086600 3982.1659 20437.6363 14424.3833 277.4879 -203171.1260 2566.8946 0.0000 0.0000 52009.7007 -109472.8571 298.9005 -161482.5578 -109108.5502 298.8632 139.7576 169.4335 760183.4057 11.9599 12.2256 PRESSURE: 3086800 -44.691 243.49 39.3318 243.489 -95.7732 -51.8575 39.3327 -51.8568 494.955 GPRESSURE: 3086800 -22.1217 263.35 18.2912 133.819 -76.1141 -23.2818 131.136 -44.2774 530.628 PRESSAVG: 3086800 -3.3139 31.6367 -20.8586 31.6366 29.1801 18.7942 -20.8586 18.7942 -27.1941 GPRESSAVG: 3086800 -4.37259 31.4434 -22.537 29.3084 30.3474 18.0449 -20.6716 16.587 -26.778 TIMING: 3086800 CPU: 9643.91, 0.00315663/step Wall: 9643.91, 0.00315663/step, 1.67757 hours remaining, 236.109375 MB of memory in use. ENERGY: 3086800 3925.9380 20441.3577 14469.4518 251.2304 -203465.8075 2791.8088 0.0000 0.0000 52197.5774 -109388.4433 299.9802 -161586.0207 -109022.5456 299.0335 118.1635 144.1308 762140.6617 -0.4426 -0.2677 PRESSURE: 3087000 -218.737 -69.3112 134.34 -69.3117 -184.256 187.798 134.34 187.798 239.068 GPRESSURE: 3087000 -189.879 -178.069 162.301 -77.6139 -146.316 340.552 161.957 162.493 253.999 PRESSAVG: 3087000 -23.8173 -18.301 4.04196 -18.301 17.57 5.18311 4.04198 5.18313 -16.8727 GPRESSAVG: 3087000 -22.9166 -19.5716 3.83284 -16.6699 16.9645 4.93275 4.5337 7.03393 -16.9512 TIMING: 3087000 CPU: 9644.54, 0.00316064/step Wall: 9644.54, 0.00316064/step, 1.67953 hours remaining, 236.109375 MB of memory in use. ENERGY: 3087000 3941.4901 20462.1207 14460.2727 253.4259 -203094.9872 2569.2746 0.0000 0.0000 51976.3454 -109432.0577 298.7088 -161408.4031 -109068.8194 299.0663 -54.6414 -27.3990 764350.9460 -7.7067 -7.6344 PRESSURE: 3087200 -196.773 147.747 84.9997 147.747 -178.922 102.769 84.9993 102.77 297.85 GPRESSURE: 3087200 -132.223 60.7262 11.1373 91.8319 -222.642 85.3612 104.845 69.7128 374.672 PRESSAVG: 3087200 -9.86792 17.953 25.1872 17.953 7.026 -42.5998 25.1871 -42.5998 11.8361 GPRESSAVG: 3087200 -8.71929 17.1447 24.8975 18.1837 6.61262 -42.4615 22.7745 -42.5012 10.722 TIMING: 3087200 CPU: 9645.17, 0.00314945/step Wall: 9645.17, 0.00314945/step, 1.67341 hours remaining, 236.109375 MB of memory in use. ENERGY: 3087200 3946.9318 20339.5070 14396.5614 243.3763 -203285.3305 2912.9460 0.0000 0.0000 51929.7231 -109516.2849 298.4408 -161446.0081 -109157.2724 299.3055 -25.9485 6.6022 763626.2239 2.9981 2.8718 PRESSURE: 3087400 -325.516 93.7571 -199.223 93.757 -182.925 194.859 -199.223 194.858 146.55 GPRESSURE: 3087400 -353.443 89.892 -147.395 228.062 -67.8995 178.983 -205.637 110.808 145.356 PRESSAVG: 3087400 -11.74 36.1286 -34.0275 36.1286 -21.7948 7.25063 -34.0275 7.25063 5.78774 GPRESSAVG: 3087400 -11.238 37.1368 -32.8402 35.9001 -21.9037 8.08989 -31.6211 5.65173 6.01606 TIMING: 3087400 CPU: 9645.8, 0.00312723/step Wall: 9645.8, 0.00312723/step, 1.66143 hours remaining, 236.109375 MB of memory in use. ENERGY: 3087400 3999.2864 20445.6352 14528.1881 236.9486 -203163.0897 2523.7535 0.0000 0.0000 51883.4954 -109545.7826 298.1752 -161429.2780 -109188.1549 298.9544 -120.6302 -91.9957 764490.5830 -9.2490 -9.0419 PRESSURE: 3087600 -99.4994 -30.818 245.673 -30.8165 134.825 72.3052 245.674 72.3056 -165.793 GPRESSURE: 3087600 -191.296 -79.6333 211.675 38.3075 193.218 104.346 205.778 125.602 -52.95 PRESSAVG: 3087600 -57.1293 -13.2675 -71.6245 -13.2675 42.6715 37.8833 -71.6244 37.8833 4.79856 GPRESSAVG: 3087600 -59.7082 -12.7549 -71.6573 -11.9896 44.5678 38.7912 -74.0695 38.1616 5.75239 TIMING: 3087600 CPU: 9646.43, 0.00314408/step Wall: 9646.43, 0.00314408/step, 1.6702 hours remaining, 236.109375 MB of memory in use. ENERGY: 3087600 3900.5364 20550.7365 14465.7713 249.8911 -203318.9334 2636.1693 0.0000 0.0000 51882.9054 -109632.9233 298.1718 -161515.8287 -109272.6788 299.1503 -43.4893 -17.0093 761050.1800 -3.2197 -3.1293 PRESSURE: 3087800 -12.0056 -79.9882 144.537 -79.9866 47.9115 76.6625 144.537 76.6622 286.793 GPRESSURE: 3087800 166.268 -88.8925 108.234 -128.464 34.7759 126.019 105.731 11.0259 198.608 PRESSAVG: 3087800 13.2552 12.4517 -22.7254 12.4517 17.5774 33.3939 -22.7254 33.3939 8.49288 GPRESSAVG: 3087800 16.4086 13.9538 -23.2385 10.0532 15.7585 32.6275 -20.4887 33.707 7.2452 TIMING: 3087800 CPU: 9647.05, 0.00312996/step Wall: 9647.05, 0.00312996/step, 1.66253 hours remaining, 236.109375 MB of memory in use. ENERGY: 3087800 3950.0075 20437.4921 14467.6045 258.2965 -203874.1092 2918.0632 0.0000 0.0000 51939.5601 -109903.0853 298.4974 -161842.6455 -109544.0860 298.5169 107.5663 133.2174 761506.4266 13.1085 13.1374 PRESSURE: 3088000 -217.052 91.1122 80.6271 91.1125 -513.752 -11.4479 80.627 -11.4464 -10.4515 GPRESSURE: 3088000 -76.771 143.2 107.381 168.28 -537.035 81.5103 13.8691 -63.2037 -45.0546 PRESSAVG: 3088000 -4.44825 19.8907 -31.4965 19.8908 -37.2113 59.0608 -31.4965 59.0608 1.81531 GPRESSAVG: 3088000 -4.98757 19.0135 -29.2059 20.6202 -37.5771 60.0328 -35.6174 58.5794 2.41053 TIMING: 3088000 CPU: 9647.67, 0.00311809/step Wall: 9647.67, 0.00311809/step, 1.65605 hours remaining, 236.109375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3088000 4016.2717 20386.2118 14536.6608 252.1975 -203362.2146 2599.9067 0.0000 0.0000 51747.5887 -109823.3774 297.3941 -161570.9662 -109478.2114 297.9783 -247.0853 -219.6203 761655.4870 -13.2814 -13.3847 PRESSURE: 3088200 381.891 -225.38 -21.4075 -225.381 -132.667 -140.033 -21.4082 -140.033 -6.63545 GPRESSURE: 3088200 304.428 -292.837 45.6374 -178.191 -126.845 -132.168 46.2794 -245.715 163.173 PRESSAVG: 3088200 20.9136 -20.2665 -59.3263 -20.2665 11.185 5.1982 -59.3263 5.19824 -27.4758 GPRESSAVG: 3088200 20.0925 -20.4589 -59.7124 -20.4624 12.0943 3.25042 -56.5524 4.09902 -27.7424 TIMING: 3088200 CPU: 9648.3, 0.00313528/step Wall: 9648.3, 0.00313528/step, 1.66501 hours remaining, 236.109375 MB of memory in use. ENERGY: 3088200 3952.3873 20403.9967 14513.9267 259.5726 -203710.8712 2847.1272 0.0000 0.0000 51665.0425 -110068.8182 296.9197 -161733.8607 -109711.1681 297.6715 80.8627 113.5854 761468.1753 1.5409 1.4814 LDB: ============= START OF LOAD BALANCING ============== 9660.78 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9660.78 LDB: =============== DONE WITH MIGRATION ================ 9660.78 LDB: ============= START OF LOAD BALANCING ============== 9661.1 LDB: Largest compute 7007 load 0.030744 is 15.8% of average load 0.195180 LDB: Average compute 0.004379 is 2.2% of average load 0.195180 LDB: TIME 9661.1 LOAD: AVG 0.19518 MAX 0.214752 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.566 MB LDB: TIME 9661.1 LOAD: AVG 0.19518 MAX 0.214752 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.566 MB LDB: TIME 9661.1 LOAD: AVG 0.19518 MAX 0.214752 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.566 MB LDB: ============== END OF LOAD BALANCING =============== 9661.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9661.11 PRESSURE: 3088400 203.043 202.213 -52.3562 202.213 -74.6371 119.834 -52.3557 119.833 166.51 GPRESSURE: 3088400 237.43 166.153 -52.4806 -10.4778 -11.845 86.8255 -6.88102 88.9522 149.812 PRESSAVG: 3088400 10.4313 -6.48822 -60.2876 -6.48822 0.323913 54.5193 -60.2876 54.5193 23.686 GPRESSAVG: 3088400 12.0228 -6.0833 -61.2939 -6.46307 -0.472932 55.5467 -61.0945 54.7446 23.2617 TIMING: 3088400 CPU: 9648.94, 0.00320848/step Wall: 9648.94, 0.00320848/step, 1.7037 hours remaining, 234.765625 MB of memory in use. ENERGY: 3088400 3964.1251 20524.7731 14440.2389 237.0109 -203657.8995 2743.3799 0.0000 0.0000 51778.8697 -109969.5019 297.5739 -161748.3716 -109607.9195 298.1377 98.3052 125.1324 761914.8845 11.4804 11.6039 PRESSURE: 3088600 -249.895 -29.1058 70.6669 -29.1051 101.797 16.5671 70.6669 16.5674 109.869 GPRESSURE: 3088600 -104.128 -154.212 184.172 -45.0826 60.1024 0.525226 58.3402 -8.03554 64.7905 PRESSAVG: 3088600 18.1385 37.3749 -30.3387 37.3749 -4.67034 52.846 -30.3387 52.8461 12.9009 GPRESSAVG: 3088600 18.429 36.9994 -29.5925 37.8972 -4.62541 53.0429 -31.0047 51.9388 12.5551 TIMING: 3088600 CPU: 9649.57, 0.00315257/step Wall: 9649.57, 0.00315257/step, 1.67384 hours remaining, 234.968750 MB of memory in use. ENERGY: 3088600 3963.0911 20401.7692 14378.6211 251.4911 -203571.2412 2852.2661 0.0000 0.0000 51784.0746 -109939.9279 297.6038 -161724.0025 -109580.1324 297.8118 -12.7430 6.9215 761593.9277 8.7897 8.7863 PRESSURE: 3088800 58.8685 -26.2614 -74.483 -26.2618 -414.031 -186.019 -74.483 -186.018 -375.803 GPRESSURE: 3088800 3.50144 -113.532 -116.261 -73.1705 -379.317 -81.5071 -5.81162 -204.547 -267.015 PRESSAVG: 3088800 69.6504 3.63203 3.1821 3.63206 -24.9963 -31.1786 3.18211 -31.1786 -48.3246 GPRESSAVG: 3088800 67.6192 3.93542 2.0088 2.26348 -24.2022 -30.4889 4.58503 -29.7811 -47.7383 TIMING: 3088800 CPU: 9650.2, 0.00315452/step Wall: 9650.2, 0.00315452/step, 1.6747 hours remaining, 234.968750 MB of memory in use. ENERGY: 3088800 3981.1928 20461.8168 14373.1922 255.1074 -203011.9194 2463.4886 0.0000 0.0000 51658.9126 -109818.2091 296.8845 -161477.1217 -109461.7493 297.6777 -243.6551 -214.2771 762641.0197 -1.2235 -1.4404 PRESSURE: 3089000 -61.9624 -100.55 47.7497 -100.55 70.2701 190.28 47.7498 190.281 247.12 GPRESSURE: 3089000 -89.7456 -125.054 -9.87221 -84.0861 151.178 253.964 95.2362 169.609 267.343 PRESSAVG: 3089000 33.8235 7.03247 -31.6128 7.03247 -13.0317 -13.1805 -31.6127 -13.1805 31.4483 GPRESSAVG: 3089000 35.9891 6.50829 -31.8404 7.93508 -14.7936 -13.3164 -30.3734 -11.7601 31.5772 TIMING: 3089000 CPU: 9650.83, 0.00313409/step Wall: 9650.83, 0.00313409/step, 1.66368 hours remaining, 234.968750 MB of memory in use. ENERGY: 3089000 3976.5797 20411.0056 14431.0225 228.5262 -203466.7304 2927.5786 0.0000 0.0000 51849.0021 -109643.0157 297.9769 -161492.0179 -109283.8141 298.5202 85.1426 109.5918 760598.4724 17.4133 17.5909 PRESSURE: 3089200 -234.187 86.3163 224.899 86.3168 -86.2602 -123.126 224.9 -123.126 -284.115 GPRESSURE: 3089200 -147.69 170.791 238.856 66.7349 -163.534 -119.799 227.004 -129.636 -229.105 PRESSAVG: 3089200 -29.5798 4.01095 -2.67101 4.01101 -4.59283 -0.0608583 -2.671 -0.0609664 8.78503 GPRESSAVG: 3089200 -30.2903 3.78883 -3.1485 4.25771 -3.66926 -2.16845 -2.53302 -0.23107 8.26838 TIMING: 3089200 CPU: 9651.46, 0.00313482/step Wall: 9651.46, 0.00313482/step, 1.66389 hours remaining, 234.968750 MB of memory in use. ENERGY: 3089200 3961.4642 20455.4697 14441.8430 250.8325 -203477.7885 2701.6478 0.0000 0.0000 52032.9635 -109633.5678 299.0342 -161666.5313 -109259.6068 299.0274 -201.5206 -180.1095 761286.5210 -8.4625 -8.5637 PRESSURE: 3089400 -56.6412 -341.444 -9.40644 -341.444 -13.383 -160.47 -9.40602 -160.471 311.467 GPRESSURE: 3089400 -19.1298 -368.464 -22.6166 -280.763 5.55278 -97.6963 -1.16547 -171.413 354.353 PRESSAVG: 3089400 14.9568 -35.154 -20.9361 -35.154 -5.28166 -10.7605 -20.9362 -10.7604 -27.9334 GPRESSAVG: 3089400 13.9803 -34.9207 -19.8485 -35.251 -4.92037 -8.70387 -19.552 -11.9021 -27.3069 TIMING: 3089400 CPU: 9652.08, 0.00311397/step Wall: 9652.08, 0.00311397/step, 1.65265 hours remaining, 234.968750 MB of memory in use. ENERGY: 3089400 3947.9547 20600.9934 14547.0676 252.3448 -203536.4442 2452.5091 0.0000 0.0000 52275.4424 -109460.1322 300.4277 -161735.5746 -109107.2317 299.1589 80.4808 113.5922 760450.4150 -6.0861 -6.0823 PRESSURE: 3089600 -18.8885 -110.446 43.9903 -110.446 122.108 -241.438 43.9898 -241.438 583.859 GPRESSURE: 3089600 -13.4095 -125.945 -35.0078 -72.8459 253.017 -264.882 94.6436 -309.365 552.434 PRESSAVG: 3089600 36.1156 -57.8073 1.35444 -57.8072 -50.6357 -34.1454 1.35447 -34.1454 -13.9703 GPRESSAVG: 3089600 37.1457 -59.1631 1.3794 -58.1063 -50.8386 -34.3338 -0.398599 -33.9058 -15.1567 TIMING: 3089600 CPU: 9652.71, 0.00313601/step Wall: 9652.71, 0.00313601/step, 1.66418 hours remaining, 234.968750 MB of memory in use. ENERGY: 3089600 3928.5357 20473.8089 14450.4981 263.1924 -203448.0174 2805.4231 0.0000 0.0000 52170.7294 -109355.8298 299.8259 -161526.5592 -108991.4718 299.4657 229.0261 264.0138 760801.4192 -9.4968 -9.6165 PRESSURE: 3089800 -192.733 30.6671 97.6626 30.6668 -109.943 118.288 97.6626 118.287 -418.291 GPRESSURE: 3089800 -182.826 -57.5617 60.3936 74.3252 -67.9475 106.989 3.28077 126.546 -360.623 PRESSAVG: 3089800 47.7625 -3.49147 -53.4646 -3.49145 -50.9205 -45.3513 -53.4646 -45.3512 -10.4702 GPRESSAVG: 3089800 46.99 -2.44647 -53.6915 -5.43199 -50.1428 -45.174 -54.9643 -46.64 -10.1827 TIMING: 3089800 CPU: 9653.33, 0.00312672/step Wall: 9653.33, 0.00312672/step, 1.65907 hours remaining, 234.968750 MB of memory in use. ENERGY: 3089800 4046.5938 20330.3621 14472.5697 257.9382 -203197.4222 2656.5482 0.0000 0.0000 52049.2951 -109384.1153 299.1280 -161433.4104 -109016.3427 299.0991 -240.3223 -203.7989 760754.2345 -4.5427 -4.4452 PRESSURE: 3090000 299.666 1.43348 -226.966 1.43297 7.12185 -76.0705 -226.965 -76.0711 307.13 GPRESSURE: 3090000 303.452 18.8076 -190.614 -41.1627 46.9875 -34.9876 -173.095 -65.5819 363.115 PRESSAVG: 3090000 54.0139 -26.0501 3.23185 -26.0501 -46.3745 14.3118 3.23185 14.3118 -2.8959 GPRESSAVG: 3090000 54.8289 -25.9192 5.00284 -25.6127 -46.5197 15.8572 3.96084 15.4412 -3.724 TIMING: 3090000 CPU: 9653.96, 0.00313661/step Wall: 9653.96, 0.00313661/step, 1.66415 hours remaining, 234.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3090000 3972.6138 20445.5921 14480.8434 258.7528 -203219.8562 2748.8575 0.0000 0.0000 51784.2268 -109528.9698 297.6047 -161313.1966 -109167.5080 298.8975 204.6391 237.8517 760496.8559 1.5811 1.5284 PRESSURE: 3090200 -210.865 28.0583 75.6474 28.0578 -286.506 -49.836 75.6476 -49.8361 -247.115 GPRESSURE: 3090200 -159.073 -27.6499 33.9091 -140.644 -256.29 20.5374 247.833 -16.4901 -260.557 PRESSAVG: 3090200 -21.336 -9.20363 -2.32743 -9.20364 14.8536 16.5723 -2.3275 16.5724 22.9303 GPRESSAVG: 3090200 -21.4683 -10.53 -5.01978 -10.0763 14.0538 15.561 -1.72416 15.7223 23.8555 TIMING: 3090200 CPU: 9654.59, 0.00313316/step Wall: 9654.59, 0.00313316/step, 1.66214 hours remaining, 234.968750 MB of memory in use. ENERGY: 3090200 3992.6492 20539.3648 14354.7702 248.9023 -203686.4225 2793.9705 0.0000 0.0000 52029.6164 -109727.1490 299.0149 -161756.7655 -109370.7846 298.3288 -248.1619 -225.3066 762820.5981 5.4826 5.4803 PRESSURE: 3090400 -209.164 -231.98 174.643 -231.981 -117.661 106.194 174.644 106.194 7.95503 GPRESSURE: 3090400 -137.817 -238.748 206.46 -98.3325 -160.514 198.611 293.161 24.5187 36.3108 PRESSAVG: 3090400 10.6745 11.5532 -42.0793 11.5531 -42.4336 2.31609 -42.0793 2.31612 -15.134 GPRESSAVG: 3090400 10.4995 11.8837 -41.5137 12.4428 -42.2133 4.47627 -41.3311 1.02634 -15.4461 TIMING: 3090400 CPU: 9655.22, 0.00314124/step Wall: 9655.22, 0.00314124/step, 1.66625 hours remaining, 234.968750 MB of memory in use. ENERGY: 3090400 4003.2727 20363.9808 14407.6055 228.0956 -203691.5226 2744.8458 0.0000 0.0000 52200.9934 -109742.7288 299.9998 -161943.7222 -109386.0861 298.7400 -106.2900 -87.3401 763247.7425 -15.6311 -15.7200 PRESSURE: 3090600 306.686 -232.45 -209.457 -232.45 -288.853 8.662 -209.456 8.66389 -431.583 GPRESSURE: 3090600 294.798 -176.911 -103.062 -308.368 -208.329 -22.1459 -174.805 17.5809 -414.549 PRESSAVG: 3090600 95.1418 -62.0095 -17.9104 -62.0095 -87.6419 3.01421 -17.9104 3.0142 18.5802 GPRESSAVG: 3090600 94.7044 -60.6653 -17.2142 -62.5696 -87.7834 1.67733 -17.7365 5.27345 19.0827 TIMING: 3090600 CPU: 9655.84, 0.00313331/step Wall: 9655.84, 0.00313331/step, 1.66187 hours remaining, 234.968750 MB of memory in use. ENERGY: 3090600 4050.8881 20561.3123 14448.4314 242.0018 -203372.5098 2519.6597 0.0000 0.0000 51757.5815 -109792.6351 297.4515 -161550.2166 -109431.9513 298.5151 -137.9166 -109.3601 762550.0765 8.6934 8.6679 PRESSURE: 3090800 172.346 69.1915 -161.729 69.1915 188.299 88.2877 -161.729 88.2878 92.46 GPRESSURE: 3090800 234.153 -17.6633 -223.03 90.1208 186.102 124.292 -42.6306 103.598 97.7762 PRESSAVG: 3090800 53.9349 -55.0556 -50.448 -55.0556 -48.3226 -2.16502 -50.4481 -2.165 -8.28637 GPRESSAVG: 3090800 53.0431 -54.8636 -49.2373 -54.1873 -47.333 -1.42163 -51.173 -3.63783 -8.26944 TIMING: 3090800 CPU: 9656.47, 0.00313481/step Wall: 9656.47, 0.00313481/step, 1.6625 hours remaining, 234.968750 MB of memory in use. ENERGY: 3090800 3983.9696 20405.8088 14412.7247 234.0126 -203520.0492 2695.1680 0.0000 0.0000 51805.7841 -109982.5814 297.7286 -161788.3655 -109617.1134 297.9766 151.0348 172.6773 760246.2991 -0.8914 -0.8531 PRESSURE: 3091000 -35.2191 37.0393 247.213 37.0401 -456.006 -28.2235 247.213 -28.2235 284.478 GPRESSURE: 3091000 5.09044 73.2267 200.52 51.9602 -323.218 2.03856 296.894 -74.8322 170.788 PRESSAVG: 3091000 -4.21356 4.91383 10.8394 4.91388 36.9953 12.4772 10.8395 12.4773 14.6981 GPRESSAVG: 3091000 -4.19991 5.25129 8.22338 5.25019 35.7047 13.0292 10.9648 12.4573 16.1682 TIMING: 3091000 CPU: 9657.09, 0.00312329/step Wall: 9657.09, 0.00312329/step, 1.65621 hours remaining, 234.968750 MB of memory in use. ENERGY: 3091000 4015.0317 20554.9155 14502.3897 244.5620 -203607.6681 2641.3329 0.0000 0.0000 51524.4147 -110125.0216 296.1115 -161649.4363 -109762.6068 297.5933 -68.9157 -49.1130 761450.1939 15.8266 15.8910 PRESSURE: 3091200 68.9368 -225.153 28.5598 -225.153 -118.591 -84.1736 28.5602 -84.174 -195.617 GPRESSURE: 3091200 65.0151 -163.196 2.02878 -134.776 -64.2099 -115.925 54.2468 -133.552 -162.04 PRESSAVG: 3091200 -40.3951 -18.3958 -53.7257 -18.3959 4.59157 12.3276 -53.7258 12.3276 -5.62556 GPRESSAVG: 3091200 -39.44 -16.6435 -51.5507 -18.1305 4.60044 10.3616 -54.7513 14.277 -6.75592 TIMING: 3091200 CPU: 9657.72, 0.00313385/step Wall: 9657.72, 0.00313385/step, 1.66164 hours remaining, 234.968750 MB of memory in use. ENERGY: 3091200 3997.2895 20531.3948 14430.7648 248.4914 -203636.0521 2750.4048 0.0000 0.0000 51674.2730 -110003.4337 296.9728 -161677.7068 -109639.0639 297.3228 -81.7571 -53.7450 761620.7623 -13.8097 -13.8652 PRESSURE: 3091400 -316.86 -76.7055 -126.806 -76.7047 -163.659 -244.819 -126.806 -244.82 -74.6888 GPRESSURE: 3091400 -213.34 -51.7803 -173.653 -73.718 -99.5193 -276.397 -81.8312 -188.353 -129.417 PRESSAVG: 3091400 -5.14908 -3.39422 -38.7921 -3.39417 -1.06268 24.9717 -38.7921 24.9717 7.5201 GPRESSAVG: 3091400 -4.23127 -4.958 -39.1539 -3.16893 -1.07148 25.3879 -39.7856 23.0236 6.69907 TIMING: 3091400 CPU: 9658.35, 0.00313611/step Wall: 9658.35, 0.00313611/step, 1.66266 hours remaining, 234.968750 MB of memory in use. ENERGY: 3091400 3980.6015 20350.3792 14362.1672 235.1127 -203760.8508 2745.3564 0.0000 0.0000 51898.0645 -110189.1693 298.2589 -162087.2338 -109825.2728 297.8472 -185.0693 -147.4257 761725.8014 0.4361 0.4654 PRESSURE: 3091600 -81.2436 0.0723065 -238.551 0.0729071 -54.5324 -16.4587 -238.551 -16.4579 -212.877 GPRESSURE: 3091600 -93.8229 42.996 -240.059 120.278 -11.0583 101.615 -146.519 27.2348 -169.771 PRESSAVG: 3091600 -25.8867 -6.76602 -38.586 -6.76599 71.1685 -38.1021 -38.586 -38.1021 -10.8684 GPRESSAVG: 3091600 -26.8997 -9.17208 -38.3346 -6.44939 71.1898 -38.3106 -38.4948 -37.2996 -10.2289 TIMING: 3091600 CPU: 9658.98, 0.00314803/step Wall: 9658.98, 0.00314803/step, 1.66881 hours remaining, 234.968750 MB of memory in use. ENERGY: 3091600 4014.2303 20449.8782 14460.2921 230.7784 -203798.9757 2689.3332 0.0000 0.0000 51806.4829 -110147.9806 297.7326 -161954.4635 -109784.3239 297.7588 -116.2177 -91.5507 761633.2120 11.4712 11.3537 PRESSURE: 3091800 193.472 -160.258 161.628 -160.259 66.4326 -61.6625 161.628 -61.6627 -50.048 GPRESSURE: 3091800 292.904 -163.068 195.726 -271.454 104.346 -2.94068 266.206 39.5133 -87.8457 PRESSAVG: 3091800 5.84989 -71.8944 -22.7765 -71.8944 -8.26802 -15.506 -22.7764 -15.506 -7.78981 GPRESSAVG: 3091800 5.96431 -69.5918 -23.8538 -73.3298 -8.62275 -15.0465 -19.642 -15.6562 -7.472 TIMING: 3091800 CPU: 9659.6, 0.00312504/step Wall: 9659.6, 0.00312504/step, 1.65644 hours remaining, 234.968750 MB of memory in use. ENERGY: 3091800 3946.2576 20563.0825 14337.0396 249.8290 -203899.6230 2746.5243 0.0000 0.0000 52036.4444 -110020.4456 299.0542 -162056.8900 -109669.9565 297.7866 69.9523 103.1346 760534.9824 -3.4026 -3.3768 PRESSURE: 3092000 176.835 39 138.032 38.9991 159.899 40.6865 138.032 40.6863 -39.386 GPRESSURE: 3092000 260.71 46.373 159.607 42.2362 108.844 108.84 141.526 -142.606 8.2231 PRESSAVG: 3092000 -14.5414 -41.6178 -40.8538 -41.6178 -8.62755 5.28127 -40.8537 5.2812 3.51511 GPRESSAVG: 3092000 -14.1356 -43.297 -40.4661 -38.5941 -8.089 3.92754 -43.0832 6.74362 2.78059 TIMING: 3092000 CPU: 9660.23, 0.00311255/step Wall: 9660.23, 0.00311255/step, 1.64965 hours remaining, 234.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3092000 3987.5985 20499.3435 14432.8898 220.7511 -203717.1959 2780.2548 0.0000 0.0000 51743.9636 -110052.3946 297.3733 -161796.3581 -109687.2904 298.0295 99.1160 125.9255 761523.0617 -6.5513 -6.4813 PRESSURE: 3092200 208.049 79.482 59.1832 79.4824 87.6685 -129.658 59.1838 -129.658 71.0121 GPRESSURE: 3092200 266.191 50.6225 34.1367 120.762 52.9963 -122.189 114.05 -157.015 120.911 PRESSAVG: 3092200 24.369 -23.3579 -0.741454 -23.3579 -34.9853 1.53011 -0.741443 1.53001 -2.52268 GPRESSAVG: 3092200 24.9132 -22.9279 -0.724512 -25.2634 -35.2634 0.360479 -0.00903896 1.58752 -3.06342 TIMING: 3092200 CPU: 9660.85, 0.0031179/step Wall: 9660.85, 0.0031179/step, 1.65231 hours remaining, 234.968750 MB of memory in use. ENERGY: 3092200 3971.3679 20429.5753 14349.5198 244.6434 -203403.8090 2827.9543 0.0000 0.0000 51617.7782 -109962.9700 296.6481 -161580.7482 -109588.2319 297.8623 122.2432 146.6994 761691.6552 -4.3797 -4.4712 LDB: ============= START OF LOAD BALANCING ============== 9673.33 LDB: ============== END OF LOAD BALANCING =============== 9673.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9673.33 LDB: ============= START OF LOAD BALANCING ============== 9673.65 LDB: Largest compute 7007 load 0.030260 is 15.5% of average load 0.195189 LDB: Average compute 0.004378 is 2.2% of average load 0.195189 LDB: TIME 9673.65 LOAD: AVG 0.195189 MAX 0.215767 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.023 MB LDB: TIME 9673.65 LOAD: AVG 0.195189 MAX 0.215767 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.023 MB LDB: TIME 9673.65 LOAD: AVG 0.195189 MAX 0.215767 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.023 MB LDB: ============== END OF LOAD BALANCING =============== 9673.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9673.66 PRESSURE: 3092400 -241.8 -211.18 -106.922 -211.18 -273.675 -30.7916 -106.921 -30.791 -239.017 GPRESSURE: 3092400 -122.755 -126.008 -52.9777 -151.257 -291.774 -33.8474 -152.325 -149.427 -233.869 PRESSAVG: 3092400 41.3371 -40.5608 -25.2273 -40.5608 -65.5595 -27.7168 -25.2273 -27.7169 23.9121 GPRESSAVG: 3092400 39.3152 -37.9931 -26.3589 -43.9143 -63.5203 -26.3143 -23.8628 -29.1509 24.0067 TIMING: 3092400 CPU: 9661.49, 0.00320873/step Wall: 9661.49, 0.00320873/step, 1.70027 hours remaining, 234.890625 MB of memory in use. ENERGY: 3092400 4086.7707 20476.6604 14357.4951 223.4749 -203704.6093 2824.6943 0.0000 0.0000 51598.5961 -110136.9179 296.5378 -161735.5140 -109774.6581 297.2279 -251.4972 -216.1330 761346.4792 -0.1034 -0.0661 PRESSURE: 3092600 -57.2033 297.275 -140.55 297.275 -48.2586 -2.49033 -140.551 -2.49046 -71.751 GPRESSURE: 3092600 -73.3865 335.469 -137.245 242.404 40.9923 -40.7525 -164.519 42.3371 -33.5454 PRESSAVG: 3092600 58.9423 -24.5768 -77.6831 -24.5768 -28.1179 -16.7555 -77.683 -16.7555 12.5908 GPRESSAVG: 3092600 59.7389 -28.0414 -75.4741 -21.4115 -29.0757 -17.6249 -78.8585 -13.7178 13.3668 TIMING: 3092600 CPU: 9662.12, 0.00313787/step Wall: 9662.12, 0.00313787/step, 1.66255 hours remaining, 235.148438 MB of memory in use. ENERGY: 3092600 3977.4218 20558.6878 14420.5302 243.7980 -203381.5399 2384.2682 0.0000 0.0000 51795.1676 -110001.6663 297.6675 -161796.8339 -109635.4696 297.9504 -59.0710 -21.9798 760739.4309 14.4717 14.6767 PRESSURE: 3092800 62.7048 -265.934 46.2686 -265.934 -304.808 138.636 46.2689 138.635 -287.772 GPRESSURE: 3092800 92.4406 -184.312 39.0407 -186.43 -278.377 188.806 129.369 183.594 -264.71 PRESSAVG: 3092800 36.1952 -40.3866 -34.7879 -40.3867 -63.9778 68.9233 -34.7879 68.9233 -2.89121 GPRESSAVG: 3092800 35.7482 -39.4676 -35.8507 -41.1207 -63.751 68.3232 -36.0783 67.3787 -3.02909 TIMING: 3092800 CPU: 9662.75, 0.0031326/step Wall: 9662.75, 0.0031326/step, 1.65958 hours remaining, 235.148438 MB of memory in use. ENERGY: 3092800 4017.5255 20367.6866 14394.6532 245.7145 -203451.0671 2473.5105 0.0000 0.0000 51979.8805 -109972.0962 298.7291 -161951.9767 -109610.0601 298.3143 -176.6250 -150.2154 760896.8814 -10.2246 -10.3439 PRESSURE: 3093000 -4.53145 154.839 11.025 154.838 316.838 67.4271 11.0256 67.4267 370.62 GPRESSURE: 3093000 103.374 256.558 -110.347 28.0426 263.659 76.1444 71.3169 18.669 399.401 PRESSAVG: 3093000 38.5166 36.5255 -48.7289 36.5255 -49.807 27.5493 -48.7289 27.5494 12.093 GPRESSAVG: 3093000 38.9992 35.5978 -48.3137 37.2539 -50.7376 29.3124 -46.8107 25.1003 12.523 TIMING: 3093000 CPU: 9663.37, 0.0031426/step Wall: 9663.37, 0.0031426/step, 1.66471 hours remaining, 235.148438 MB of memory in use. ENERGY: 3093000 4065.7273 20409.9547 14399.0895 234.7432 -203637.3147 2813.5672 0.0000 0.0000 51947.7640 -109766.4687 298.5445 -161714.2327 -109404.8428 297.7087 227.6421 255.4781 760506.6876 0.2676 0.2615 PRESSURE: 3093200 -163.842 39.574 18.1539 39.5734 -51.1662 104.388 18.1542 104.388 -180.617 GPRESSURE: 3093200 -7.8893 133.052 76.1051 12.1629 -100.079 196.787 -21.105 113.196 -193.529 PRESSAVG: 3093200 41.6605 -46.6352 -30.5283 -46.6352 -7.57875 -18.9294 -30.5283 -18.9294 14.3049 GPRESSAVG: 3093200 43.7561 -43.313 -29.5566 -46.607 -8.28624 -19.6073 -31.9414 -16.0516 13.2237 TIMING: 3093200 CPU: 9664, 0.00311551/step Wall: 9664, 0.00311551/step, 1.65018 hours remaining, 235.148438 MB of memory in use. ENERGY: 3093200 4055.2245 20426.0944 14493.2985 257.3587 -203871.8576 2760.8728 0.0000 0.0000 52190.4722 -109688.5365 299.9394 -161879.0087 -109326.4635 298.3280 -131.8748 -100.4990 759888.1004 16.1289 16.2312 PRESSURE: 3093400 366.26 -52.2157 -129.569 -52.2155 -126.249 -126.49 -129.569 -126.489 52.4991 GPRESSURE: 3093400 341.784 -25.79 -210.621 56.77 -7.02082 -174.721 -104.074 -205.833 58.1596 PRESSAVG: 3093400 54.4568 -5.97415 -1.38385 -5.97423 -70.9074 -41.574 -1.3838 -41.5741 -2.44926 GPRESSAVG: 3093400 51.6012 -8.92665 -2.67178 -4.62234 -69.2958 -42.8389 -1.08383 -44.4884 -1.53493 TIMING: 3093400 CPU: 9664.62, 0.00313718/step Wall: 9664.62, 0.00313718/step, 1.66148 hours remaining, 235.148438 MB of memory in use. ENERGY: 3093400 4005.5801 20458.3775 14426.4984 249.9064 -203277.7480 2791.0598 0.0000 0.0000 51887.2629 -109459.0630 298.1968 -161346.3259 -109097.0128 298.7891 97.5032 130.9744 761607.5999 -6.3000 -6.4098 PRESSURE: 3093600 -141.532 161.763 -327.562 161.762 135.427 66.3862 -327.563 66.3863 -272.025 GPRESSURE: 3093600 6.20475 39.2234 -339.132 79.6374 99.3794 -14.3924 -333.053 164.733 -283.196 PRESSAVG: 3093600 47.6419 13.0179 -11.0372 13.0179 -27.3953 -10.6761 -11.0371 -10.6763 3.43463 GPRESSAVG: 3093600 49.2401 13.0755 -10.9246 13.6819 -29.4957 -8.28283 -8.08615 -8.82752 3.50734 TIMING: 3093600 CPU: 9665.25, 0.00314194/step Wall: 9665.25, 0.00314194/step, 1.66383 hours remaining, 235.148438 MB of memory in use. ENERGY: 3093600 4050.8673 20336.5474 14333.4480 250.5191 -203559.8871 2846.8007 0.0000 0.0000 52436.5933 -109305.1112 301.3538 -161741.7045 -108939.6570 299.1860 -92.7098 -59.2039 761260.4494 7.8937 7.7506 PRESSURE: 3093800 42.1265 -21.0078 96.0313 -21.0076 95.1319 -16.1176 96.0317 -16.1171 -194.074 GPRESSURE: 3093800 89.7551 29.2755 52.5333 69.2724 59.5826 82.9292 63.4934 -59.1825 -134.332 PRESSAVG: 3093800 57.9363 29.6254 -62.1082 29.6253 -48.1043 24.7602 -62.1082 24.7601 7.63904 GPRESSAVG: 3093800 58.1175 30.4569 -62.8625 27.6145 -47.9463 22.7511 -65.0404 25.2038 7.17262 TIMING: 3093800 CPU: 9665.88, 0.00314402/step Wall: 9665.88, 0.00314402/step, 1.66476 hours remaining, 235.148438 MB of memory in use. ENERGY: 3093800 3966.4615 20500.7533 14448.9786 229.5571 -202939.5656 2403.8996 0.0000 0.0000 52074.4261 -109315.4895 299.2724 -161389.9155 -108962.1333 299.1221 -18.9385 5.0020 761854.8250 5.8237 5.7813 PRESSURE: 3094000 125.728 -273.301 -70.4072 -273.301 -52.5728 -88.8669 -70.407 -88.8677 226.976 GPRESSURE: 3094000 132.265 -318.544 -69.5693 -166.413 38.3447 -7.35398 -93.8894 -230.799 212.83 PRESSAVG: 3094000 31.7567 21.8762 -79.0559 21.8762 20.8589 -13.1619 -79.0559 -13.1619 15.7091 GPRESSAVG: 3094000 30.8706 19.0459 -78.5949 22.6905 22.1393 -12.036 -79.1576 -12.1077 15.4967 TIMING: 3094000 CPU: 9666.51, 0.00315454/step Wall: 9666.51, 0.00315454/step, 1.67015 hours remaining, 235.148438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3094000 4025.8269 20623.7974 14397.9445 258.1526 -203203.2171 2752.1997 0.0000 0.0000 51980.6846 -109164.6114 298.7337 -161145.2960 -108801.0376 299.3752 100.0437 127.8133 762815.3638 22.7749 22.8355 PRESSURE: 3094200 151.384 -118.885 -110.997 -118.885 -243.611 -133.571 -110.997 -133.571 137.899 GPRESSURE: 3094200 151.943 -90.6864 -161.94 -40.8418 -152.053 -121.148 -99.7049 -78.5645 138.829 PRESSAVG: 3094200 27.8585 50.1006 16.5721 50.1006 -19.7758 -1.58626 16.5721 -1.5863 2.19792 GPRESSAVG: 3094200 27.4901 53.0775 15.2403 49.0218 -20.7791 -1.37022 17.7466 -5.82931 3.44686 TIMING: 3094200 CPU: 9667.14, 0.00314629/step Wall: 9667.14, 0.00314629/step, 1.66561 hours remaining, 235.148438 MB of memory in use. ENERGY: 3094200 3997.9944 20531.9017 14451.8465 235.2695 -203327.3663 2832.6622 0.0000 0.0000 51901.3836 -109376.3083 298.2780 -161277.6920 -109011.6259 299.3523 15.2240 46.2396 761980.7093 3.4269 3.3860 PRESSURE: 3094400 -29.126 -21.2266 51.74 -21.2264 -488.025 -293.836 51.7401 -293.837 36.8188 GPRESSURE: 3094400 69.8178 -4.16792 95.3944 -17.8702 -529.959 -172.434 13.02 -227.845 66.8903 PRESSAVG: 3094400 37.8992 8.18313 6.48552 8.18305 -45.5686 -4.77941 6.48556 -4.77947 0.405471 GPRESSAVG: 3094400 40.2023 7.38601 8.02015 9.31657 -45.9815 -6.80481 5.1587 -2.66805 -1.84122 TIMING: 3094400 CPU: 9667.77, 0.00314473/step Wall: 9667.77, 0.00314472/step, 1.66461 hours remaining, 235.148438 MB of memory in use. ENERGY: 3094400 4012.3950 20603.1339 14485.4448 259.1178 -202889.4291 2249.7081 0.0000 0.0000 51876.4277 -109403.2018 298.1345 -161279.6295 -109037.4327 299.2722 -160.1107 -131.0838 763501.8114 -2.4213 -2.5401 PRESSURE: 3094600 49.8839 16.1173 51.2435 16.1178 -119.267 -228.732 51.2427 -228.733 0.915249 GPRESSURE: 3094600 -11.9469 -29.4073 75.6772 114.901 33.0228 -271.669 -35.3994 -206.234 9.31106 PRESSAVG: 3094600 -12.7696 -0.535609 54.4867 -0.535591 16.0621 21.4494 54.4868 21.4493 5.50041 GPRESSAVG: 3094600 -15.1291 1.28865 53.9765 -1.97612 16.9316 20.8701 51.9944 22.9715 6.63806 TIMING: 3094600 CPU: 9668.4, 0.00313871/step Wall: 9668.4, 0.00313871/step, 1.66125 hours remaining, 235.148438 MB of memory in use. ENERGY: 3094600 4045.2064 20325.4831 14447.5758 248.5610 -202926.2650 2435.2122 0.0000 0.0000 52053.1788 -109371.0476 299.1503 -161424.2265 -108994.0312 298.9288 -22.8228 10.1290 761803.3308 2.9310 2.8135 PRESSURE: 3094800 77.6878 -142.493 0.818286 -142.494 33.1331 133.104 0.818573 133.103 -69.8069 GPRESSURE: 3094800 98.7508 -48.668 22.9425 -191.421 80.1693 115.69 -55.504 160.719 -46.4254 PRESSAVG: 3094800 20.4733 -77.5354 32.5207 -77.5354 -1.94934 36.7131 32.5207 36.713 6.70888 GPRESSAVG: 3094800 21.6112 -77.1594 33.9582 -75.6218 -1.82161 40.2044 34.4481 37.2836 5.42163 TIMING: 3094800 CPU: 9669.03, 0.00313756/step Wall: 9669.03, 0.00313756/step, 1.66047 hours remaining, 235.148438 MB of memory in use. ENERGY: 3094800 3937.2036 20491.0258 14405.8484 258.3099 -203275.8106 2566.8076 0.0000 0.0000 52108.0128 -109508.6024 299.4655 -161616.6152 -109142.7448 299.4977 13.6713 44.1649 762210.2702 8.4109 8.4037 PRESSURE: 3095000 16.0476 184.607 -42.8159 184.608 -238.834 -35.699 -42.8158 -35.6986 0.419804 GPRESSURE: 3095000 -57.3971 204.182 0.383147 115.327 -113.294 -96.0416 -53.8289 -91.3486 35.9923 PRESSAVG: 3095000 36.4557 4.17125 -36.3612 4.17125 -24.0403 -2.90987 -36.3612 -2.90987 -16.566 GPRESSAVG: 3095000 34.9688 5.09896 -36.8355 3.33001 -23.3904 -5.09233 -38.0947 -5.22923 -15.6027 TIMING: 3095000 CPU: 9669.65, 0.00312414/step Wall: 9669.65, 0.00312414/step, 1.65319 hours remaining, 235.410156 MB of memory in use. ENERGY: 3095000 4029.3047 20381.2598 14403.1565 249.9392 -203169.5855 2677.4839 0.0000 0.0000 52096.4356 -109332.0058 299.3989 -161428.4414 -108955.8872 298.9048 -74.1223 -44.8997 762141.0390 -1.3835 -1.3414 PRESSURE: 3095200 335.039 39.902 209.107 39.901 157.981 -60.2622 209.107 -60.262 45.8628 GPRESSURE: 3095200 403.87 -44.9973 110.08 73.2259 201.234 -92.5747 129.245 -57.0021 52.2506 PRESSAVG: 3095200 15.6584 -7.25839 -10.4124 -7.25839 -25.7907 12.0433 -10.4123 12.0432 13.9166 GPRESSAVG: 3095200 16.1429 -11.0041 -11.1703 -8.43609 -26.8789 11.271 -8.26895 12.0913 13.8295 TIMING: 3095200 CPU: 9670.28, 0.00313953/step Wall: 9670.28, 0.00313953/step, 1.66116 hours remaining, 235.410156 MB of memory in use. ENERGY: 3095200 4091.1279 20583.7988 14374.0600 241.8401 -203743.5392 3034.0806 0.0000 0.0000 51889.3460 -109529.2858 298.2088 -161418.6317 -109174.3709 299.0477 179.6274 219.1181 760149.4719 1.2614 1.0312 PRESSURE: 3095400 130.154 104.499 -41.0547 104.5 -7.3132 -84.0876 -41.0536 -84.0865 -33.3861 GPRESSURE: 3095400 237.847 117.173 0.186784 94.0792 2.46798 -54.8708 -81.1148 -222.023 -46.482 PRESSAVG: 3095400 15.1178 -31.1843 10.9439 -31.1842 16.5703 -10.1879 10.944 -10.1877 -28.3605 GPRESSAVG: 3095400 15.4237 -29.9631 11.1888 -31.3634 15.9539 -9.06195 10.3015 -9.29924 -28.5365 TIMING: 3095400 CPU: 9670.91, 0.00314594/step Wall: 9670.91, 0.00314594/step, 1.66438 hours remaining, 235.410156 MB of memory in use. ENERGY: 3095400 4045.4962 20410.2759 14358.7554 245.2418 -203391.7839 2653.2632 0.0000 0.0000 52156.7951 -109521.9562 299.7458 -161678.7513 -109162.7641 299.1438 29.8182 64.6109 761098.4868 1.1092 0.9470 PRESSURE: 3095600 -129.762 -139.437 104.881 -139.437 22.5855 56.2574 104.881 56.2586 -17.8688 GPRESSURE: 3095600 -8.4415 -162.347 197.708 -115.41 23.6838 136.732 112.822 34.5853 -61.5203 PRESSAVG: 3095600 -4.23808 -20.3126 -29.1736 -20.3126 -52.5015 -5.76423 -29.1736 -5.76423 19.4624 GPRESSAVG: 3095600 -5.69809 -19.8702 -29.6281 -21.1709 -51.6934 -6.49955 -28.285 -6.14613 20.0879 TIMING: 3095600 CPU: 9671.54, 0.00314324/step Wall: 9671.54, 0.00314324/step, 1.66277 hours remaining, 235.410156 MB of memory in use. ENERGY: 3095600 4028.1871 20589.0107 14372.4767 240.2572 -203505.2418 2757.0980 0.0000 0.0000 52068.2720 -109449.9401 299.2371 -161518.2121 -109094.4154 298.6226 -41.6817 -15.4260 762464.3900 -12.4257 -12.4346 PRESSURE: 3095800 -227.934 3.17047 -96.8202 3.17091 72.5458 83.7429 -96.8205 83.7435 -120.622 GPRESSURE: 3095800 -259.719 1.89428 -107.702 35.9888 137.003 99.1959 -90.3701 107.129 -76.7473 PRESSAVG: 3095800 -10.2706 -37.3883 53.3984 -37.3883 2.30484 37.0225 53.3984 37.0225 2.89232 GPRESSAVG: 3095800 -9.12504 -38.7445 54.5889 -34.8973 0.611734 37.5385 53.5159 36.3593 2.72732 TIMING: 3095800 CPU: 9672.16, 0.0031256/step Wall: 9672.16, 0.0031256/step, 1.65327 hours remaining, 235.410156 MB of memory in use. ENERGY: 3095800 3991.7791 20422.4840 14419.9917 241.2970 -203476.4629 2827.7368 0.0000 0.0000 52140.9002 -109432.2742 299.6545 -161573.1744 -109063.8030 298.6644 -92.0034 -66.4880 761241.2251 -1.6911 -1.9287 PRESSURE: 3096000 173.466 -60.536 -71.9038 -60.5357 -130.462 -74.2135 -71.9035 -74.2122 154.296 GPRESSURE: 3096000 185.949 -30.8453 -2.50396 -72.131 1.8804 3.77183 -100.359 -107.145 102.148 PRESSAVG: 3096000 9.59306 -16.5826 -18.3366 -16.5825 -34.2579 -30.6929 -18.3367 -30.6929 41.7297 GPRESSAVG: 3096000 8.56476 -14.7012 -18.8655 -16.588 -33.0313 -31.3611 -18.1459 -29.0393 41.7577 TIMING: 3096000 CPU: 9672.79, 0.00312338/step Wall: 9672.79, 0.00312338/step, 1.65192 hours remaining, 235.410156 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: 3096000 3966.1785 20408.4381 14379.0564 231.8923 -203415.9418 2835.1845 0.0000 0.0000 52321.1441 -109274.0480 300.6903 -161595.1920 -108914.4167 298.8978 65.7667 96.6592 762095.7946 5.6883 5.7637 PRESSURE: 3096200 -69.1797 -7.24531 47.8163 -7.24537 -21.4033 64.0325 47.8155 64.0337 77.861 GPRESSURE: 3096200 4.39137 16.0767 29.4819 12.6927 -18.49 97.2232 -33.2467 -128.747 67.245 PRESSAVG: 3096200 11.7023 -13.3722 28.0977 -13.3722 10.4658 -4.27753 28.0977 -4.27755 0.0344363 GPRESSAVG: 3096200 11.7212 -13.6846 27.793 -13.2023 9.5993 -3.58491 28.9547 -7.11148 1.20957 TIMING: 3096200 CPU: 9673.41, 0.00312084/step Wall: 9673.41, 0.00312084/step, 1.65041 hours remaining, 235.410156 MB of memory in use. ENERGY: 3096200 3996.7270 20563.4503 14351.2813 242.3629 -202930.5540 2366.5867 0.0000 0.0000 52101.3892 -109308.7568 299.4274 -161410.1460 -108944.2602 299.2634 -4.2407 17.7155 762658.7195 7.4009 7.5100 LDB: ============= START OF LOAD BALANCING ============== 9685.89 LDB: ============== END OF LOAD BALANCING =============== 9685.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9685.89 LDB: ============= START OF LOAD BALANCING ============== 9686.2 LDB: Largest compute 7007 load 0.031328 is 16.0% of average load 0.195320 LDB: Average compute 0.004377 is 2.2% of average load 0.195320 LDB: TIME 9686.2 LOAD: AVG 0.19532 MAX 0.216938 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 9686.2 LOAD: AVG 0.19532 MAX 0.216938 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: TIME 9686.2 LOAD: AVG 0.19532 MAX 0.216938 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: ============== END OF LOAD BALANCING =============== 9686.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9686.21 PRESSURE: 3096400 -133.614 -65.376 -115.955 -65.3757 14.8736 202.136 -115.955 202.137 -249.209 GPRESSURE: 3096400 -116.249 -9.72321 -72.2344 -27.9838 -29.936 233.824 0.603184 198.142 -145.647 PRESSAVG: 3096400 49.1728 22.98 5.39297 22.98 -13.1457 25.6246 5.39295 25.6246 1.35145 GPRESSAVG: 3096400 49.7633 23.4528 3.42769 23.0811 -12.6603 25.9651 5.3505 28.144 0.324651 TIMING: 3096400 CPU: 9674.05, 0.00317793/step Wall: 9674.05, 0.00317793/step, 1.68042 hours remaining, 235.023438 MB of memory in use. ENERGY: 3096400 3917.6454 20626.2521 14440.9881 262.0579 -203198.3142 2511.6966 0.0000 0.0000 52154.4913 -109285.1827 299.7326 -161439.6740 -108918.5230 299.5238 -122.6497 -97.2770 763086.2632 12.4595 12.4759 PRESSURE: 3096600 -93.994 -26.5514 -123.757 -26.5515 -182.445 -172.024 -123.757 -172.026 -35.6396 GPRESSURE: 3096600 -128.041 -0.810541 -128.31 116.321 -81.7971 -190.656 30.7555 -103.463 -10.8508 PRESSAVG: 3096600 15.1769 21.1941 45.5881 21.1942 -37.066 -24.4761 45.5881 -24.4761 -19.4183 GPRESSAVG: 3096600 15.5006 20.0594 47.5908 21.0986 -37.5221 -25.4107 43.6684 -25.8875 -19.1417 TIMING: 3096600 CPU: 9674.67, 0.00312869/step Wall: 9674.67, 0.00312869/step, 1.65421 hours remaining, 235.226562 MB of memory in use. ENERGY: 3096600 4031.0854 20606.6681 14438.2246 226.8309 -203463.9492 2727.8846 0.0000 0.0000 52002.0902 -109431.1654 298.8567 -161433.2556 -109067.1143 299.3514 -104.0263 -73.5628 762606.4763 -13.7691 -13.7211 PRESSURE: 3096800 253.163 -74.8051 27.7776 -74.8048 391.972 -19.0508 27.7784 -19.0514 89.5221 GPRESSURE: 3096800 314.606 17.8116 -51.7693 -78.6955 447.583 -53.7667 8.88866 -2.25221 75.3852 PRESSAVG: 3096800 -44.3284 1.32272 -4.61442 1.32272 8.65116 -6.67944 -4.61437 -6.67938 2.90992 GPRESSAVG: 3096800 -44.5195 1.5367 -4.44877 1.78008 8.65781 -7.96008 -2.98748 -3.34806 3.09147 TIMING: 3096800 CPU: 9675.29, 0.00311527/step Wall: 9675.29, 0.00311527/step, 1.64694 hours remaining, 235.226562 MB of memory in use. ENERGY: 3096800 3931.7114 20618.5112 14418.2811 245.2014 -203651.6427 2823.5458 0.0000 0.0000 52397.7411 -109216.6507 301.1305 -161614.3918 -108850.5841 299.4209 244.8859 279.1913 761570.4219 -10.9224 -10.9234 PRESSURE: 3097000 -21.4186 -24.6108 97.6329 -24.6112 112.655 60.1125 97.6333 60.1128 -113.146 GPRESSURE: 3097000 64.561 -134.032 73.2003 -95.7939 65.1246 21.0892 86.2015 -56.5077 -49.321 PRESSAVG: 3097000 -17.1183 -26.9114 37.7591 -26.9114 -0.807566 -34.4279 37.759 -34.4279 9.54149 GPRESSAVG: 3097000 -16.3716 -28.3057 37.5535 -28.5136 -0.395459 -31.4579 37.6742 -38.4554 8.67175 TIMING: 3097000 CPU: 9675.92, 0.00310451/step Wall: 9675.92, 0.00310451/step, 1.64108 hours remaining, 235.226562 MB of memory in use. ENERGY: 3097000 3980.9540 20489.6871 14508.6678 235.2490 -203411.0156 2631.1172 0.0000 0.0000 52071.7968 -109493.5437 299.2573 -161565.3405 -109129.6710 299.3183 -7.3030 26.7882 762877.2366 -2.7948 -2.6984 PRESSURE: 3097200 -277.097 40.224 48.922 40.2243 -56.2754 163.185 48.922 163.184 -462.209 GPRESSURE: 3097200 -188.946 -40.2354 20.4738 25.3338 -71.3993 171.616 -82.3089 149.063 -455.2 PRESSAVG: 3097200 26.4138 40.4989 -18.9412 40.4989 -46.022 -28.0846 -18.9412 -28.0846 -6.04256 GPRESSAVG: 3097200 26.7752 43.356 -20.2849 40.5139 -47.2587 -29.133 -18.1673 -25.854 -4.94704 TIMING: 3097200 CPU: 9676.54, 0.00313339/step Wall: 9676.54, 0.00313339/step, 1.65617 hours remaining, 235.226562 MB of memory in use. ENERGY: 3097200 4036.4812 20468.8398 14525.5001 240.1200 -203120.7202 2378.6682 0.0000 0.0000 51899.3101 -109571.8008 298.2660 -161471.1109 -109202.0463 299.2891 -265.1940 -238.5150 761777.1023 -8.5503 -8.4768 PRESSURE: 3097400 -109.973 -39.6345 26.2677 -39.6345 -127.418 -25.5402 26.2669 -25.5394 66.6194 GPRESSURE: 3097400 -103.87 -1.69152 66.9899 -48.8092 -37.3065 -71.1787 -55.264 -43.9879 75.4762 PRESSAVG: 3097400 51.5222 -2.75061 -22.6132 -2.75064 -54.8525 4.57727 -22.6132 4.57735 -11.4695 GPRESSAVG: 3097400 50.8377 -6.25849 -20.6018 -3.00401 -53.3375 4.33587 -26.1085 3.39547 -12.8189 TIMING: 3097400 CPU: 9677.17, 0.00312978/step Wall: 9677.17, 0.00312978/step, 1.65409 hours remaining, 235.226562 MB of memory in use. ENERGY: 3097400 3981.8412 20447.4715 14441.0419 251.8207 -203399.2618 2590.1551 0.0000 0.0000 52214.3491 -109472.5822 300.0766 -161686.9313 -109109.4432 299.1823 -56.9236 -21.9001 761001.3193 -4.9333 -5.1062 PRESSURE: 3097600 55.5157 -135.556 -113.893 -135.556 -73.4039 78.6392 -113.893 78.6397 -0.336877 GPRESSURE: 3097600 71.1799 -10.4388 -39.569 -90.3421 -23.9498 112.425 -162.908 93.2989 7.12373 PRESSAVG: 3097600 32.9318 -3.32253 -25.2778 -3.32257 -21.2818 20.2247 -25.2778 20.2247 -21.7705 GPRESSAVG: 3097600 33.1579 0.31396 -24.9732 -1.98108 -21.7397 20.8086 -23.8804 19.7833 -22.0101 TIMING: 3097600 CPU: 9677.8, 0.00313829/step Wall: 9677.8, 0.00313829/step, 1.65841 hours remaining, 235.226562 MB of memory in use. ENERGY: 3097600 4017.5031 20591.1696 14516.8079 238.2462 -203419.0360 2598.9508 0.0000 0.0000 51915.0937 -109541.2647 298.3568 -161456.3585 -109189.6254 299.3258 -6.0750 18.1179 761488.8555 -3.3735 -3.5306 PRESSURE: 3097800 -212.739 30.098 329.179 30.0984 -156.961 -114.687 329.18 -114.686 353.862 GPRESSURE: 3097800 -210.023 -129.265 353.792 54.7084 -126.685 -116.016 322.314 -112.143 390.369 PRESSAVG: 3097800 28.7017 60.7985 -33.3919 60.7985 -6.99939 -3.34597 -33.3918 -3.34597 5.55654 GPRESSAVG: 3097800 29.4845 57.3445 -33.9702 61.0009 -7.84515 -2.38737 -32.9709 -2.30893 5.65057 TIMING: 3097800 CPU: 9678.42, 0.00313971/step Wall: 9678.42, 0.00313971/step, 1.65899 hours remaining, 235.226562 MB of memory in use. ENERGY: 3097800 4031.0096 20587.3418 14389.7780 233.7405 -203380.9429 2853.8508 0.0000 0.0000 52183.3334 -109101.8888 299.8983 -161285.2222 -108732.8907 299.5309 -5.2793 17.8870 762585.4499 9.0863 9.0966 PRESSURE: 3098000 -222.732 182.719 13.8772 182.719 -373.952 -79.4332 13.8775 -79.4319 164.967 GPRESSURE: 3098000 -182.212 259.554 -16.4826 65.2657 -277.776 -111.04 -15.8801 -139.371 104.029 PRESSAVG: 3098000 -49.0008 71.8312 26.9118 71.8311 49.0166 2.85607 26.9118 2.8562 -6.51164 GPRESSAVG: 3098000 -49.2605 73.8728 26.1261 70.4257 49.9321 2.60889 27.1331 1.33971 -7.52938 TIMING: 3098000 CPU: 9679.05, 0.00313483/step Wall: 9679.05, 0.00313483/step, 1.65623 hours remaining, 235.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3098000 3947.3852 20559.6756 14526.2638 283.6614 -202888.4262 2540.3242 0.0000 0.0000 52229.3975 -108801.7184 300.1631 -161031.1159 -108435.0627 299.6555 -143.9057 -118.6534 763840.7784 -2.1653 -2.2859 PRESSURE: 3098200 83.2456 39.1387 -37.0743 39.1383 288.767 -140.802 -37.0739 -140.802 45.7491 GPRESSURE: 3098200 122.365 40.8385 7.36141 168.235 253.818 -150.914 -202.27 -170.941 112.018 PRESSAVG: 3098200 -1.92416 41.3156 53.7725 41.3156 14.8851 -55.0423 53.7726 -55.0422 -4.43613 GPRESSAVG: 3098200 -3.78064 41.3087 54.1822 43.8495 15.1521 -54.6389 52.8015 -54.1499 -2.61169 TIMING: 3098200 CPU: 9679.67, 0.00311616/step Wall: 9679.67, 0.00311616/step, 1.6462 hours remaining, 235.226562 MB of memory in use. ENERGY: 3098200 4015.3112 20649.8052 14450.1541 255.9258 -203420.1775 2827.7909 0.0000 0.0000 52254.6571 -108966.5333 300.3082 -161221.1904 -108596.3216 300.1880 139.2539 162.7339 762369.0999 2.8416 2.9199 PRESSURE: 3098400 296.732 22.596 165.949 22.5958 -39.645 160.517 165.949 160.518 169.359 GPRESSURE: 3098400 284.013 -59.6297 125.68 -106.63 76.037 146.25 -36.2594 195.694 148.926 PRESSAVG: 3098400 1.05515 64.5557 -20.7712 64.5557 -38.9301 -17.1157 -20.7712 -17.1156 -5.98919 GPRESSAVG: 3098400 2.0525 64.0764 -20.3363 62.3387 -38.6125 -19.614 -22.0404 -14.8327 -6.76005 TIMING: 3098400 CPU: 9680.3, 0.00312187/step Wall: 9680.3, 0.00312187/step, 1.64904 hours remaining, 235.226562 MB of memory in use. ENERGY: 3098400 4027.3907 20580.0996 14498.3493 232.1470 -203411.0459 2900.0569 0.0000 0.0000 52198.8289 -108974.1735 299.9874 -161173.0023 -108618.5788 300.2891 142.1490 169.6585 762862.3944 -14.6214 -14.4400 PRESSURE: 3098600 -46.5914 190.63 99.4993 190.629 270.156 -30.1056 99.4986 -30.1056 -184.161 GPRESSURE: 3098600 -31.0202 192.869 65.1418 238.689 302.93 -38.5411 80.2694 105.888 -142.524 PRESSAVG: 3098600 -29.6512 -17.3812 13.2183 -17.3811 22.4818 39.3136 13.2184 39.3136 -15.4338 GPRESSAVG: 3098600 -28.476 -16.3123 12.5143 -18.3758 21.0524 41.1309 16.2737 36.3013 -15.194 TIMING: 3098600 CPU: 9680.92, 0.00310882/step Wall: 9680.92, 0.00310882/step, 1.64198 hours remaining, 235.226562 MB of memory in use. ENERGY: 3098600 4042.0027 20456.8465 14502.5482 241.3306 -202951.8667 2532.7308 0.0000 0.0000 52130.5436 -109045.8643 299.5950 -161176.4079 -108692.5392 299.8167 13.1347 43.1288 761676.6245 -7.5344 -7.5392 PRESSURE: 3098800 301.16 -49.0259 -260.694 -49.0249 189.533 86.6685 -260.693 86.6691 -199.874 GPRESSURE: 3098800 243.743 30.7108 -206.162 -75.7919 236.344 37.0673 -151.172 125.725 -110.177 PRESSAVG: 3098800 30.9026 9.44096 -9.68144 9.44092 55.5467 3.22377 -9.68148 3.22368 -6.83569 GPRESSAVG: 3098800 29.0784 9.30394 -10.5537 10.4233 57.3108 2.85393 -9.93198 4.66771 -6.61719 TIMING: 3098800 CPU: 9681.54, 0.00310478/step Wall: 9681.54, 0.00310478/step, 1.63967 hours remaining, 235.226562 MB of memory in use. ENERGY: 3098800 3976.6951 20324.6473 14559.5295 241.1735 -203611.7856 3007.2854 0.0000 0.0000 52280.4622 -109221.9926 300.4565 -161502.4548 -108852.2884 299.6663 96.9396 123.3033 762287.9630 26.5379 26.5907 PRESSURE: 3099000 232.848 95.0386 152.063 95.0396 -143.472 -145.717 152.063 -145.717 95.6416 GPRESSURE: 3099000 297.679 87.2182 85.6588 124.788 -106.115 -72.114 187.425 -148.72 94.9955 PRESSAVG: 3099000 19.947 -42.6495 16.6088 -42.6496 -18.2805 -27.5689 16.6088 -27.5689 24.3623 GPRESSAVG: 3099000 20.494 -41.9427 16.9587 -43.3623 -18.149 -27.0852 17.8198 -27.8359 24.0793 TIMING: 3099000 CPU: 9682.16, 0.0031196/step Wall: 9682.16, 0.0031196/step, 1.64732 hours remaining, 235.226562 MB of memory in use. ENERGY: 3099000 4080.9228 20533.1490 14466.2295 254.5210 -203321.4374 2556.0604 0.0000 0.0000 52240.8867 -109189.6680 300.2291 -161430.5548 -108830.3662 299.3596 61.6725 95.5201 762308.6985 8.6763 8.8081 PRESSURE: 3099200 250.694 46.9431 -103.983 46.9422 -344.62 97.747 -103.982 97.7472 -127.064 GPRESSURE: 3099200 170.899 80.2488 -94.5874 81.5979 -214.164 117.596 -123.908 27.8802 -101.21 PRESSAVG: 3099200 25.4078 -15.3592 -52.7342 -15.3592 -12.373 -14.5916 -52.7343 -14.5917 6.36602 GPRESSAVG: 3099200 25.65 -14.8855 -52.7755 -15.7682 -13.1209 -14.4772 -53.9075 -14.8951 6.32327 TIMING: 3099200 CPU: 9682.79, 0.00313453/step Wall: 9682.79, 0.00313453/step, 1.65503 hours remaining, 235.226562 MB of memory in use. ENERGY: 3099200 4021.7424 20734.4941 14470.5739 241.3990 -203462.2705 2823.4941 0.0000 0.0000 51966.5786 -109203.9886 298.6526 -161170.5671 -108839.5354 299.5260 -73.6633 -48.1585 763444.5173 6.4669 6.2841 PRESSURE: 3099400 -51.0066 -75.9192 -66.6484 -75.92 187.75 8.85962 -66.6485 8.86019 -117.492 GPRESSURE: 3099400 -53.5597 -93.9099 -163.222 -147.151 228.082 -94.3395 22.4538 -148.174 -82.9303 PRESSAVG: 3099400 34.5893 8.67243 -25.7649 8.67245 -35.5256 -52.409 -25.7649 -52.4091 -1.50237 GPRESSAVG: 3099400 34.7968 7.15132 -25.3358 10.0164 -36.6153 -54.595 -25.5098 -52.9563 -0.587828 TIMING: 3099400 CPU: 9683.42, 0.0031243/step Wall: 9683.42, 0.0031243/step, 1.64946 hours remaining, 235.226562 MB of memory in use. ENERGY: 3099400 4086.4902 20497.6445 14466.9667 245.8121 -203391.2119 2825.1765 0.0000 0.0000 52033.5552 -109235.5666 299.0376 -161269.1218 -108871.7657 299.4848 6.4171 30.5308 763111.5935 -0.8129 -0.8021 PRESSURE: 3099600 247.461 -118.493 122.004 -118.492 -344.307 -354.449 122.004 -354.45 98.4068 GPRESSURE: 3099600 188 -46.6291 128.467 1.89353 -254.502 -280.163 50.1642 -116.068 137.863 PRESSAVG: 3099600 32.1243 43.1334 -36.748 43.1333 2.35214 -54.0504 -36.748 -54.0504 -12.6054 GPRESSAVG: 3099600 31.1011 44.1779 -38.1178 42.6723 4.67537 -52.2407 -35.0467 -53.6175 -13.784 TIMING: 3099600 CPU: 9684.04, 0.00313166/step Wall: 9684.04, 0.00313166/step, 1.65317 hours remaining, 235.226562 MB of memory in use. ENERGY: 3099600 4018.4862 20536.0234 14506.8928 254.9946 -203280.3076 2671.8774 0.0000 0.0000 52066.1204 -109225.9129 299.2247 -161292.0333 -108865.2632 299.1825 0.5203 23.7870 761545.2035 7.2903 7.3308 PRESSURE: 3099800 85.6363 107.33 3.8536 107.331 183.877 222.721 3.85393 222.721 87.7846 GPRESSURE: 3099800 164.853 49.4791 77.94 141.699 183.664 228.502 -25.5391 187.54 92.897 PRESSAVG: 3099800 50.2006 -46.4808 -19.2013 -46.4809 -45.246 27.7298 -19.2012 27.7299 -9.06578 GPRESSAVG: 3099800 51.0296 -48.2028 -16.6991 -44.6146 -45.7946 27.7796 -22.8097 27.7354 -9.51943 TIMING: 3099800 CPU: 9684.67, 0.00312434/step Wall: 9684.67, 0.00312434/step, 1.64913 hours remaining, 235.226562 MB of memory in use. ENERGY: 3099800 3923.1355 20510.8514 14411.6111 236.0740 -203289.0843 2702.2405 0.0000 0.0000 52041.0246 -109464.1471 299.0805 -161505.1717 -109104.1889 299.1318 119.0992 147.1382 761814.2335 -1.3704 -1.4281 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 3100000 WRITING COORDINATES TO RESTART FILE AT STEP 3100000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3100000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3100000 108.456 88.9266 -118.999 88.9267 -91.8147 135.092 -118.999 135.093 -37.1062 GPRESSURE: 3100000 172.154 -1.69551 -94.0214 115.815 -95.6818 20.1119 -34.6962 79.3461 -6.36299 PRESSAVG: 3100000 43.4039 -54.0423 -24.9853 -54.0422 -57.234 8.78538 -24.9853 8.78537 8.73921 GPRESSAVG: 3100000 44.5169 -53.5686 -24.8909 -55.5496 -58.235 6.44305 -24.0018 8.96449 8.90309 TIMING: 3100000 CPU: 9685.37, 0.00350464/step Wall: 9685.37, 0.00350464/step, 1.84967 hours remaining, 235.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3100000 3985.9659 20553.9157 14413.8988 256.3787 -203186.8117 2628.2572 0.0000 0.0000 51803.7646 -109544.6308 297.7169 -161348.3953 -109182.8583 299.0832 -6.8217 23.3697 762586.2185 -1.6970 -1.6050 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3100000 PRESSURE: 3100200 68.5825 68.1618 -140.087 68.1615 -54.9185 1.02019 -140.088 1.02088 -115.282 GPRESSURE: 3100200 62.7607 72.1163 -55.7393 98.708 41.5001 -58.1599 -92.9688 -13.0844 -127.107 PRESSAVG: 3100200 39.5561 31.9363 -5.12635 31.9363 -32.1342 -82.8424 -5.12633 -82.8423 30.2779 GPRESSAVG: 3100200 39.2771 31.1317 -6.37385 31.9723 -31.6977 -82.0611 -3.66045 -82.7011 30.1759 TIMING: 3100200 CPU: 9686.03, 0.00328182/step Wall: 9686.03, 0.00328182/step, 1.73189 hours remaining, 235.226562 MB of memory in use. ENERGY: 3100200 3999.1727 20257.7365 14505.5669 256.9565 -203251.5197 2756.1322 0.0000 0.0000 51908.8851 -109567.0697 298.3211 -161475.9549 -109204.8562 298.5720 -33.8727 -7.6153 762180.1383 12.5666 12.5851 LDB: ============= START OF LOAD BALANCING ============== 9698.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9698.5 LDB: =============== DONE WITH MIGRATION ================ 9698.5 LDB: ============= START OF LOAD BALANCING ============== 9698.82 LDB: Largest compute 7007 load 0.031254 is 16.0% of average load 0.195243 LDB: Average compute 0.004367 is 2.2% of average load 0.195243 LDB: TIME 9698.82 LOAD: AVG 0.195243 MAX 0.215223 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.793 MB LDB: TIME 9698.82 LOAD: AVG 0.195243 MAX 0.215223 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.996 MB LDB: TIME 9698.82 LOAD: AVG 0.195243 MAX 0.215223 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.996 MB LDB: ============== END OF LOAD BALANCING =============== 9698.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9698.83 PRESSURE: 3100400 87.2863 -58.7471 237.426 -58.7465 -8.56993 115.282 237.427 115.283 -68.0789 GPRESSURE: 3100400 116.272 -93.4552 175.709 -68.637 49.8672 90.7196 254.73 54.6082 -65.4365 PRESSAVG: 3100400 49.2441 -2.75596 34.2974 -2.75594 -30.6839 -26.3028 34.2974 -26.3028 -9.23777 GPRESSAVG: 3100400 48.6306 -0.615526 33.0698 -2.35804 -31.2015 -24.6212 34.9383 -27.4001 -8.34321 TIMING: 3100400 CPU: 9686.66, 0.0031805/step Wall: 9686.66, 0.0031805/step, 1.67824 hours remaining, 234.050781 MB of memory in use. ENERGY: 3100400 3997.2881 20590.8327 14438.5495 232.8200 -203285.5977 2619.0317 0.0000 0.0000 51796.2804 -109610.7954 297.6739 -161407.0757 -109260.5779 298.2174 3.5458 33.5676 762012.4360 3.1075 3.0286 PRESSURE: 3100600 200.648 -44.8996 -27.3921 -44.9008 -186.933 -177.172 -27.3913 -177.173 -27.5388 GPRESSURE: 3100600 163.478 23.8809 -40.0003 -56.7066 -34.9083 -243.837 -7.16978 -222.925 -57.556 PRESSAVG: 3100600 89.4047 -2.24762 38.2367 -2.24757 -41.1865 -53.7957 38.2368 -53.7957 11.5064 GPRESSAVG: 3100600 89.8712 -5.14168 39.4521 -2.28931 -39.9551 -54.989 37.469 -51.5573 10.3025 TIMING: 3100600 CPU: 9687.28, 0.00311455/step Wall: 9687.28, 0.00311455/step, 1.64327 hours remaining, 234.050781 MB of memory in use. ENERGY: 3100600 3924.8131 20470.4149 14456.5598 261.7419 -203151.3038 2651.7857 0.0000 0.0000 51879.6376 -109506.3509 298.1530 -161385.9885 -109143.8773 298.8083 -4.6076 23.6711 763255.7259 19.9082 20.0729 PRESSURE: 3100800 361.707 33.3231 -35.3522 33.3231 332.668 -127.061 -35.3528 -127.062 154.661 GPRESSURE: 3100800 371.814 -15.0647 16.2585 -0.353881 366.728 -57.2775 -26.9329 -174.189 186.843 PRESSAVG: 3100800 -19.1153 17.2183 -22.8144 17.2183 7.36392 -14.7688 -22.8144 -14.7688 2.22324 GPRESSAVG: 3100800 -19.2816 18.5007 -23.5676 14.4214 6.59802 -14.437 -22.9631 -16.6534 2.76208 TIMING: 3100800 CPU: 9687.91, 0.00311012/step Wall: 9687.91, 0.00311012/step, 1.64076 hours remaining, 234.050781 MB of memory in use. ENERGY: 3100800 3939.2457 20581.7101 14448.9412 244.4679 -203645.9537 2874.4031 0.0000 0.0000 52057.1365 -109500.0492 299.1731 -161557.1857 -109136.5879 298.8447 283.0118 308.4619 761781.6550 -3.1760 -3.3072 PRESSURE: 3101000 -81.6504 84.7457 133.106 84.7452 -224.453 49.6852 133.106 49.6855 118.016 GPRESSURE: 3101000 22.1931 132.965 105.171 132.807 -253.238 22.8656 153.209 96.501 131.22 PRESSAVG: 3101000 1.79527 1.05079 85.0667 1.05082 3.59127 -1.66725 85.0667 -1.66723 -14.6204 GPRESSAVG: 3101000 0.769848 3.01217 85.4943 2.95439 3.32331 -2.34555 85.8969 0.261927 -13.5824 TIMING: 3101000 CPU: 9688.54, 0.00314428/step Wall: 9688.54, 0.00314428/step, 1.65861 hours remaining, 234.050781 MB of memory in use. ENERGY: 3101000 4006.9976 20453.8237 14435.0350 254.1529 -203189.9270 2559.2695 0.0000 0.0000 52005.7252 -109474.9231 298.8776 -161480.6483 -109111.5652 298.9575 -62.6958 -33.2751 760493.6069 -3.0779 -3.1631 PRESSURE: 3101200 114.618 -255.481 107.865 -255.482 48.0091 18.841 107.866 18.8404 -85.0025 GPRESSURE: 3101200 131.408 -242.082 74.0283 -62.6894 28.6638 106.894 75.6084 52.4195 -21.3023 PRESSAVG: 3101200 -14.4262 -62.418 6.77321 -62.418 40.1423 1.35907 6.77328 1.35918 26.265 GPRESSAVG: 3101200 -14.3954 -63.0203 6.01423 -63.4743 40.3888 2.79195 4.89478 0.302503 26.5336 TIMING: 3101200 CPU: 9689.16, 0.00313359/step Wall: 9689.16, 0.00313359/step, 1.6528 hours remaining, 234.050781 MB of memory in use. ENERGY: 3101200 3991.5700 20532.5923 14388.1109 255.1087 -203110.8097 2451.6371 0.0000 0.0000 52028.2221 -109463.5686 299.0069 -161491.7908 -109097.0149 299.2175 25.8748 46.2565 761831.1612 17.3271 17.5090 PRESSURE: 3101400 68.063 -20.8984 -257.25 -20.8975 -57.6093 -3.05352 -257.25 -3.0534 18.7063 GPRESSURE: 3101400 91.5824 -42.9721 -242.623 -121.92 33.1711 4.36797 -101.572 50.9477 11.1668 PRESSAVG: 3101400 3.53715 -6.04474 -27.2615 -6.04483 -43.1641 -20.3212 -27.2614 -20.3213 21.9768 GPRESSAVG: 3101400 3.59108 -6.32016 -26.0211 -5.34988 -42.7724 -22.5922 -26.5885 -18.2991 21.3942 TIMING: 3101400 CPU: 9689.79, 0.00311725/step Wall: 9689.79, 0.00311725/step, 1.644 hours remaining, 234.050781 MB of memory in use. ENERGY: 3101400 3922.4202 20509.3436 14498.8444 243.9041 -203295.0628 2625.5037 0.0000 0.0000 51906.1784 -109588.8685 298.3055 -161495.0468 -109226.1865 298.9390 9.7200 45.3068 759452.6874 -5.8834 -5.9290 PRESSURE: 3101600 -143.069 76.2287 -64.4956 76.228 5.94917 21.7508 -64.495 21.7494 -100.414 GPRESSURE: 3101600 -49.1341 149.625 -60.1588 44.2063 20.5537 -50.9129 -173.755 10.2541 -116.087 PRESSAVG: 3101600 10.7695 3.37632 -23.6432 3.37627 -39.3208 -2.94665 -23.6432 -2.94661 4.32306 GPRESSAVG: 3101600 11.223 2.03471 -24.4737 4.03292 -39.8024 -1.4682 -22.9427 -5.17364 4.47778 TIMING: 3101600 CPU: 9690.41, 0.00311667/step Wall: 9690.41, 0.00311667/step, 1.64352 hours remaining, 234.050781 MB of memory in use. ENERGY: 3101600 3962.1503 20337.5830 14449.3373 239.9832 -203766.3199 2954.2630 0.0000 0.0000 52011.0351 -109811.9681 298.9081 -161823.0031 -109448.5523 298.5065 -79.1779 -48.2224 760769.5428 -8.0761 -8.0339 PRESSURE: 3101800 100.442 -90.1329 -271.129 -90.1328 -210.684 178.107 -271.129 178.107 -189.147 GPRESSURE: 3101800 132.218 -74.492 -312.712 -76.0847 -178.059 136.659 -244.422 139.922 -181.629 PRESSAVG: 3101800 10.5786 62.0724 -23.8061 62.0725 1.02478 -11.6806 -23.8061 -11.6806 -9.41543 GPRESSAVG: 3101800 10.9702 64.2144 -23.1215 60.9007 1.17666 -11.464 -24.3212 -12.2546 -10.2307 TIMING: 3101800 CPU: 9691.03, 0.00310512/step Wall: 9691.03, 0.00310512/step, 1.63726 hours remaining, 234.050781 MB of memory in use. ENERGY: 3101800 4012.6506 20566.0476 14482.2945 256.2613 -203526.6218 2693.8413 0.0000 0.0000 51697.4115 -109818.1152 297.1057 -161515.5266 -109468.5592 298.1193 -99.7963 -75.8235 759992.8510 0.7293 0.6387 PRESSURE: 3102000 -149.788 97.0525 -190.733 97.0529 110.524 62.3663 -190.733 62.3656 40.0144 GPRESSURE: 3102000 -66.7039 189.284 -159.839 63.314 109.352 39.6197 -163.245 -14.2314 33.8896 PRESSAVG: 3102000 22.8293 19.2376 -29.2035 19.2376 -2.20282 22.1135 -29.2036 22.1135 -17.1107 GPRESSAVG: 3102000 22.5653 18.8135 -29.7087 18.6631 -1.41262 22.89 -27.7538 20.6667 -17.5087 TIMING: 3102000 CPU: 9691.65, 0.00310213/step Wall: 9691.65, 0.00310213/step, 1.63551 hours remaining, 234.050781 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: 3102000 3988.1584 20402.6277 14468.3935 248.0559 -203719.4568 2782.8771 0.0000 0.0000 52071.0522 -109758.2919 299.2531 -161829.3442 -109393.4011 298.6624 0.2501 25.5126 761597.3942 1.1719 1.2147 PRESSURE: 3102200 -245.116 23.0113 358.884 23.0114 -345.706 -228.24 358.883 -228.24 13.4362 GPRESSURE: 3102200 -199.705 30.5565 330.975 101.691 -282.11 -207.351 254.786 -200.085 -8.84272 PRESSAVG: 3102200 25.5252 38.2265 -16.1677 38.2265 -22.5925 -39.151 -16.1677 -39.1511 -30.4583 GPRESSAVG: 3102200 25.4002 38.6936 -17.6419 41.0265 -22.4372 -41.0125 -16.2489 -37.4991 -30.853 TIMING: 3102200 CPU: 9692.27, 0.00310941/step Wall: 9692.27, 0.00310941/step, 1.63918 hours remaining, 234.050781 MB of memory in use. ENERGY: 3102200 3919.2920 20549.6575 14482.7551 243.7993 -203624.7171 2708.9104 0.0000 0.0000 52190.1937 -109530.1091 299.9378 -161720.3028 -109170.0813 298.6615 -192.4620 -163.5528 761629.6153 -9.1752 -9.2967 PRESSURE: 3102400 298.08 231.868 -110.186 231.868 -9.30042 64.2927 -110.186 64.2924 468.984 GPRESSURE: 3102400 400.398 97.9268 -112.96 186.043 23.872 61.4848 -108.046 -25.2781 411.73 PRESSAVG: 3102400 32.7472 -40.032 21.8756 -40.032 -89.7971 -33.9651 21.8756 -33.9651 -9.82382 GPRESSAVG: 3102400 33.3642 -41.8054 23.2485 -43.2166 -91.1612 -33.3447 21.4777 -31.6365 -8.93658 TIMING: 3102400 CPU: 9692.9, 0.00311854/step Wall: 9692.9, 0.00311854/step, 1.64382 hours remaining, 234.050781 MB of memory in use. ENERGY: 3102400 3912.5043 20639.1351 14413.2719 235.7408 -203807.8473 2934.8274 0.0000 0.0000 52147.2275 -109525.1404 299.6908 -161672.3679 -109163.7832 298.8490 252.5879 278.6667 761369.8643 -22.2913 -22.2445 PRESSURE: 3102600 -140.017 166.745 -209.447 166.744 -148.919 -82.3161 -209.446 -82.3174 80.7425 GPRESSURE: 3102600 -102.76 158.665 -230.185 190.868 -73.36 -114.873 -98.249 -137.121 55.1831 PRESSAVG: 3102600 -12.2967 61.0108 -25.1297 61.0108 21.7153 21.0646 -25.1297 21.0646 -3.74143 GPRESSAVG: 3102600 -13.8242 60.55 -25.999 62.964 22.4525 21.6156 -24.4866 17.2614 -3.28173 TIMING: 3102600 CPU: 9693.52, 0.00310495/step Wall: 9693.52, 0.00310495/step, 1.63648 hours remaining, 234.050781 MB of memory in use. ENERGY: 3102600 3975.1370 20551.4334 14457.3118 238.0863 -203504.0720 2809.9284 0.0000 0.0000 52027.7751 -109444.4000 299.0043 -161472.1751 -109084.1543 299.1593 -69.3981 -40.3123 762909.1130 1.8924 1.7822 PRESSURE: 3102800 -236.025 -27.4374 130.706 -27.4369 123.94 -126.607 130.707 -126.608 -295.505 GPRESSURE: 3102800 -212.295 28.2614 122.793 -19.988 202.53 -123.226 17.2231 -41.7189 -295.106 PRESSAVG: 3102800 38.0173 -15.0672 75.1213 -15.0672 -25.3573 8.04535 75.1213 8.04539 -1.62353 GPRESSAVG: 3102800 39.4637 -12.6018 74.6952 -15.8952 -25.7073 8.27875 72.4945 8.27479 -2.11944 TIMING: 3102800 CPU: 9694.14, 0.00311589/step Wall: 9694.14, 0.00311589/step, 1.64207 hours remaining, 234.050781 MB of memory in use. ENERGY: 3102800 4029.5839 20401.7534 14471.4964 241.5477 -203580.1266 2920.6923 0.0000 0.0000 52026.3714 -109488.6815 298.9963 -161515.0529 -109130.1000 298.8293 -135.8632 -101.6236 763315.7799 3.6788 3.8790 PRESSURE: 3103000 -143.473 33.7052 -34.6938 33.7058 152.399 196.095 -34.6942 196.095 72.4615 GPRESSURE: 3103000 -113.177 47.7656 46.5236 25.0401 203.837 222.566 69.9944 185.407 84.6268 PRESSAVG: 3103000 15.2511 4.60134 47.6809 4.6013 48.4556 -0.105511 47.6809 -0.105519 -17.2053 GPRESSAVG: 3103000 14.829 2.07927 50.2199 5.45373 48.8974 0.114813 49.4852 0.854102 -17.1206 TIMING: 3103000 CPU: 9694.76, 0.00310926/step Wall: 9694.76, 0.00310926/step, 1.63841 hours remaining, 234.050781 MB of memory in use. ENERGY: 3103000 3968.9718 20433.0393 14454.9603 245.9749 -203210.1642 2617.0410 0.0000 0.0000 52083.2365 -109406.9405 299.3231 -161490.1770 -109039.6400 299.0486 27.1291 58.4289 761477.1629 15.5005 15.5353 PRESSURE: 3103200 138.745 93.637 21.6573 93.6378 -54.769 19.939 21.6571 19.9379 110.066 GPRESSURE: 3103200 90.7768 78.2251 -29.5689 120.346 -5.56084 97.3641 64.1487 53.3814 180.532 PRESSAVG: 3103200 -20.5118 -12.373 -9.98128 -12.373 33.4188 -9.44813 -9.98131 -9.44807 -0.569527 GPRESSAVG: 3103200 -20.6599 -11.0251 -12.9613 -11.9939 34.1801 -8.83109 -7.94842 -10.2983 -0.749204 TIMING: 3103200 CPU: 9695.39, 0.00312513/step Wall: 9695.39, 0.00312513/step, 1.64659 hours remaining, 234.050781 MB of memory in use. ENERGY: 3103200 3948.5993 20611.0848 14459.6371 242.7724 -203417.1963 2869.6157 0.0000 0.0000 52151.8300 -109133.6570 299.7173 -161285.4870 -108764.7445 300.1797 64.6806 88.5826 762594.6246 4.1125 4.2570 PRESSURE: 3103400 125.64 123.527 184.826 123.527 334.868 -51.1082 184.826 -51.1081 351.47 GPRESSURE: 3103400 103.683 193.443 142.904 50.2779 398.105 -103.264 267.006 -13.9909 403.335 PRESSAVG: 3103400 -38.6564 24.6568 2.64301 24.6568 43.5477 -41.8493 2.64301 -41.8493 -4.51206 GPRESSAVG: 3103400 -40.3286 26.8226 5.9745 23.4546 43.9351 -42.3579 0.258558 -40.9096 -2.83304 TIMING: 3103400 CPU: 9696.01, 0.00312862/step Wall: 9696.01, 0.00312862/step, 1.64826 hours remaining, 234.050781 MB of memory in use. ENERGY: 3103400 3861.5702 20524.6346 14452.4001 250.5076 -203487.1543 2885.8459 0.0000 0.0000 52258.8104 -109253.3854 300.3321 -161512.1958 -108878.5623 299.3838 270.6591 301.7075 762579.4350 0.1264 0.2578 PRESSURE: 3103600 -90.2415 -182.168 264.981 -182.167 -116.277 52.6481 264.981 52.6483 -241.778 GPRESSURE: 3103600 37.6462 -67.031 197.225 -146.292 -145.047 32.0606 243.387 63.6392 -251.059 PRESSAVG: 3103600 -14.3255 8.77411 36.3802 8.77417 4.78718 -48.9318 36.3803 -48.9317 5.88566 GPRESSAVG: 3103600 -12.961 5.75465 36.8905 12.2975 3.01859 -49.3035 36.5752 -49.639 6.21463 TIMING: 3103600 CPU: 9696.64, 0.00312988/step Wall: 9696.64, 0.00312988/step, 1.64875 hours remaining, 234.050781 MB of memory in use. ENERGY: 3103600 3948.9440 20610.7678 14435.4589 246.5827 -202867.9010 2591.7342 0.0000 0.0000 51881.9959 -109152.4175 298.1665 -161034.4134 -108795.2849 299.2084 -149.4320 -119.4867 762920.9422 -1.2176 -1.2426 PRESSURE: 3103800 119.622 -2.7154 -173.913 -2.71478 -77.8081 -42.0576 -173.913 -42.058 -81.6057 GPRESSURE: 3103800 132.992 -120.547 -187.482 -24.1539 -63.5277 -77.4445 -147.723 95.2917 -47.0784 PRESSAVG: 3103800 -23.1836 -8.725 5.05713 -8.72496 38.667 -45.3776 5.05715 -45.3776 21.2547 GPRESSAVG: 3103800 -22.9364 -7.83475 2.35901 -10.4243 38.2015 -47.7335 4.60286 -43.996 20.5467 TIMING: 3103800 CPU: 9697.26, 0.00311966/step Wall: 9697.26, 0.00311966/step, 1.6432 hours remaining, 234.050781 MB of memory in use. ENERGY: 3103800 3968.9767 20466.0051 14464.4169 246.4923 -202860.1152 2474.5908 0.0000 0.0000 51967.6120 -109272.0214 298.6586 -161239.6334 -108903.6248 298.9627 -13.2638 7.4620 762133.1187 12.2460 11.9373 PRESSURE: 3104000 285.152 -115.216 7.75684 -115.216 45.2115 160.637 7.75774 160.637 -124.654 GPRESSURE: 3104000 325.533 -18.8599 -88.3525 -162.798 -4.29508 207.299 20.3219 147.548 -25.9277 PRESSAVG: 3104000 -32.9115 -14.3043 6.22073 -14.3043 39.025 -22.634 6.22068 -22.634 17.2704 GPRESSAVG: 3104000 -32.6641 -14.6363 6.41395 -14.4381 39.7057 -22.7483 6.45711 -21.1994 16.8663 TIMING: 3104000 CPU: 9697.89, 0.00313993/step Wall: 9697.89, 0.00313993/step, 1.6537 hours remaining, 234.050781 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: 3104000 3934.7925 20424.6980 14396.5538 245.5116 -203287.0115 2828.5711 0.0000 0.0000 51992.6947 -109464.1899 298.8027 -161456.8846 -109105.8375 298.7723 68.5700 98.4366 762872.3209 7.7947 7.9693 PRESSURE: 3104200 -166.445 -66.549 86.9285 -66.5496 -55.0721 -115.233 86.9271 -115.233 336.486 GPRESSURE: 3104200 -110.376 -28.9902 84.7049 -123.688 6.76869 -156.245 -14.9483 -43.1933 315.851 PRESSAVG: 3104200 0.749039 -0.298866 -7.84648 -0.298785 -3.35743 -22.4674 -7.84644 -22.4675 3.77733 GPRESSAVG: 3104200 -0.697938 -0.287106 -7.86937 -1.36275 -2.57104 -21.5788 -7.15281 -25.5875 4.31068 TIMING: 3104200 CPU: 9698.52, 0.00313766/step Wall: 9698.52, 0.00313766/step, 1.65233 hours remaining, 234.050781 MB of memory in use. ENERGY: 3104200 4004.1829 20302.0088 14358.7167 236.5256 -203099.3722 2859.8218 0.0000 0.0000 51834.1498 -109503.9666 297.8916 -161338.1164 -109141.4444 298.5672 38.3230 70.7480 762302.7610 0.3896 0.3472 LDB: ============= START OF LOAD BALANCING ============== 9711 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9711 LDB: =============== DONE WITH MIGRATION ================ 9711 LDB: ============= START OF LOAD BALANCING ============== 9711.31 LDB: Largest compute 7007 load 0.029857 is 15.3% of average load 0.195214 LDB: Average compute 0.004369 is 2.2% of average load 0.195214 LDB: TIME 9711.31 LOAD: AVG 0.195214 MAX 0.214394 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.82 MB LDB: TIME 9711.31 LOAD: AVG 0.195214 MAX 0.214394 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.023 MB LDB: TIME 9711.31 LOAD: AVG 0.195214 MAX 0.214394 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.023 MB LDB: ============== END OF LOAD BALANCING =============== 9711.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9711.32 PRESSURE: 3104400 163.863 24.0583 -85.3486 24.0586 -391.651 94.6968 -85.349 94.6966 86.4958 GPRESSURE: 3104400 143.075 -3.93869 -0.237784 32.0514 -297.463 19.5736 -60.9744 122.883 87.5959 PRESSAVG: 3104400 27.398 -10.9978 24.2393 -10.9979 -23.7275 29.2287 24.2392 29.2287 12.8719 GPRESSAVG: 3104400 27.7673 -10.9126 24.3282 -9.88554 -24.2516 30.0631 22.5663 29.8863 12.5533 TIMING: 3104400 CPU: 9699.16, 0.00318805/step Wall: 9699.16, 0.00318805/step, 1.67868 hours remaining, 233.335938 MB of memory in use. ENERGY: 3104400 3942.5363 20595.7163 14454.5022 235.0151 -203687.4544 2880.5455 0.0000 0.0000 51978.6239 -109600.5151 298.7219 -161579.1390 -109240.2934 298.6795 -47.0974 -22.2641 760954.5486 5.5141 5.3563 PRESSURE: 3104600 -79.8519 5.12365 -140.779 5.12379 -0.670351 26.8658 -140.78 26.8663 141.171 GPRESSURE: 3104600 -46.0482 -1.21222 -128.723 -94.639 64.3155 92.5078 -124.298 87.2118 111.153 PRESSAVG: 3104600 58.5099 -17.3686 -5.86162 -17.3685 -27.5321 -36.1142 -5.86168 -36.1142 11.9017 GPRESSAVG: 3104600 58.8125 -15.9478 -5.46102 -19.3435 -27.0145 -37.2703 -4.31307 -36.8529 11.0018 TIMING: 3104600 CPU: 9699.78, 0.00311187/step Wall: 9699.78, 0.00311187/step, 1.6384 hours remaining, 233.335938 MB of memory in use. ENERGY: 3104600 3963.4126 20396.3277 14550.3980 241.4713 -203488.2813 2676.0270 0.0000 0.0000 52092.9553 -109567.6894 299.3789 -161660.6447 -109204.5891 298.7557 20.2164 43.1401 760961.0012 14.2932 14.2666 PRESSURE: 3104800 -278.738 -56.1528 136.025 -56.1542 -98.7238 -337.37 136.025 -337.37 9.42147 GPRESSURE: 3104800 -207.245 -9.35151 60.1797 -165.081 -113.052 -269.476 41.8378 -375.565 25.1493 PRESSAVG: 3104800 10.6157 4.69326 -53.7804 4.69327 -18.993 -1.16289 -53.7804 -1.16292 -11.999 GPRESSAVG: 3104800 11.5316 3.90996 -52.5974 5.06464 -20.4699 0.395631 -54.4693 0.423993 -11.5341 TIMING: 3104800 CPU: 9700.4, 0.0031083/step Wall: 9700.4, 0.0031083/step, 1.63635 hours remaining, 233.335938 MB of memory in use. ENERGY: 3104800 3952.8279 20467.6294 14412.3972 241.1793 -202928.3723 2460.1674 0.0000 0.0000 51890.4081 -109503.7630 298.2149 -161394.1711 -109135.4817 298.9546 -122.6801 -98.3824 763879.7881 -6.7921 -6.8242 PRESSURE: 3105000 -142.957 -147.858 77.8358 -147.858 88.1287 80.7746 77.8361 80.7752 -375.311 GPRESSURE: 3105000 -62.574 35.0017 104.181 -110.084 85.3515 50.6906 10.5653 -70.0636 -351.84 PRESSAVG: 3105000 10.8144 -29.4705 34.8504 -29.4705 29.4785 -107.603 34.8503 -107.603 -12.8731 GPRESSAVG: 3105000 8.19091 -27.7461 34.0558 -29.4717 29.615 -107.929 34.2866 -110.106 -11.1434 TIMING: 3105000 CPU: 9701.03, 0.0031565/step Wall: 9701.03, 0.0031565/step, 1.66155 hours remaining, 233.335938 MB of memory in use. ENERGY: 3105000 3962.9261 20367.8165 14475.7668 240.0207 -203366.4798 2846.2753 0.0000 0.0000 51870.0365 -109603.6379 298.0978 -161473.6744 -109236.7920 298.6673 -143.3799 -109.6875 762105.3735 9.1399 8.8875 PRESSURE: 3105200 -82.0446 -19.5354 -12.4605 -19.5357 -192.701 27.4548 -12.4604 27.4541 -34.5 GPRESSURE: 3105200 -55.5612 -57.5846 -59.6573 -40.3012 -151.057 -25.3136 -39.4651 52.9602 -14.118 PRESSAVG: 3105200 47.8539 3.99793 -43.9973 3.99793 20.1953 -36.2978 -43.9974 -36.2978 3.74071 GPRESSAVG: 3105200 49.1811 2.7232 -44.5666 5.00682 20.0711 -37.8004 -43.8109 -35.4192 2.3353 TIMING: 3105200 CPU: 9701.66, 0.00313152/step Wall: 9701.66, 0.00313152/step, 1.64822 hours remaining, 233.335938 MB of memory in use. ENERGY: 3105200 3966.9815 20420.0367 14382.2346 245.3504 -203370.6017 2726.0304 0.0000 0.0000 51995.8595 -109634.1085 298.8209 -161629.9680 -109262.3609 298.4193 -103.0819 -73.5786 762765.4199 23.9300 23.8625 PRESSURE: 3105400 17.3361 -50.5763 -243.538 -50.5771 -38.6622 77.5927 -243.538 77.5921 140.203 GPRESSURE: 3105400 77.4846 -95.6295 -306.217 -35.1555 5.95667 56.3157 -129.575 29.1561 116.412 PRESSAVG: 3105400 -50.2777 5.15264 -42.169 5.15268 64.957 17.8878 -42.169 17.8878 2.88108 GPRESSAVG: 3105400 -50.3452 7.20851 -41.93 3.28715 65.4435 18.53 -40.6709 18.1767 2.43305 TIMING: 3105400 CPU: 9702.29, 0.00314086/step Wall: 9702.29, 0.00314086/step, 1.65296 hours remaining, 233.335938 MB of memory in use. ENERGY: 3105400 3985.0134 20460.9027 14563.4126 263.7374 -203397.5993 2537.1127 0.0000 0.0000 52184.7228 -109402.6977 299.9063 -161587.4205 -109040.7438 299.0573 39.6256 66.6179 762054.2390 5.8534 5.8438 PRESSURE: 3105600 -205.434 -109.473 122.69 -109.474 223.222 85.9375 122.69 85.9378 349.629 GPRESSURE: 3105600 -187.445 -129.453 103.822 -2.40944 263.087 67.7563 14.7586 85.78 387.612 PRESSAVG: 3105600 -10.1823 -8.05834 -6.20533 -8.05831 -0.157861 -6.22306 -6.20536 -6.22308 -3.72692 GPRESSAVG: 3105600 -8.44941 -12.5284 -4.87265 -5.91269 -1.33418 -6.15601 -8.48663 -5.96564 -4.66949 TIMING: 3105600 CPU: 9702.91, 0.00313016/step Wall: 9702.91, 0.00313016/step, 1.64716 hours remaining, 233.335938 MB of memory in use. ENERGY: 3105600 3946.8100 20551.2674 14452.5870 238.2419 -203226.5589 2753.4805 0.0000 0.0000 51888.9674 -109395.2048 298.2066 -161284.1722 -109031.8425 298.7936 122.4726 154.4181 762352.5297 -4.6890 -4.8177 PRESSURE: 3105800 51.9438 -116.634 56.7547 -116.634 143.38 -280.964 56.7545 -280.963 -331.05 GPRESSURE: 3105800 133.977 -94.324 79.8951 -24.8328 130.458 -199.944 161.495 -170.863 -296.426 PRESSAVG: 3105800 -20.5658 7.57346 -43.9283 7.57353 4.18192 -41.377 -43.9282 -41.3769 0.30254 GPRESSAVG: 3105800 -22.2024 9.07482 -44.3241 8.08003 4.55807 -41.5385 -43.3815 -38.6578 1.64688 TIMING: 3105800 CPU: 9703.54, 0.00311936/step Wall: 9703.54, 0.00311937/step, 1.64131 hours remaining, 233.335938 MB of memory in use. ENERGY: 3105800 3979.6868 20390.7364 14481.3873 250.1721 -203171.5047 2807.5005 0.0000 0.0000 52074.3162 -109187.7054 299.2718 -161262.0215 -108820.7466 298.7433 -45.2420 -10.6635 761790.1792 -5.3604 -5.3325 PRESSURE: 3106000 -256.199 28.8276 -90.6975 28.8278 -330.059 25.778 -90.6978 25.7786 -326.258 GPRESSURE: 3106000 -248.113 19.0646 -134.286 -9.11118 -324.445 -150.218 -82.0688 -48.2406 -231.665 PRESSAVG: 3106000 55.4786 -13.169 7.87404 -13.1691 -49.5082 15.7565 7.87398 15.7566 -24.4145 GPRESSAVG: 3106000 54.0833 -10.7096 7.17712 -14.4221 -49.3822 14.6508 7.77752 14.5723 -23.0712 TIMING: 3106000 CPU: 9704.16, 0.0031328/step Wall: 9704.16, 0.0031328/step, 1.6482 hours remaining, 233.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3106000 3991.4315 20571.1409 14370.9191 255.9374 -203035.1687 2470.9592 0.0000 0.0000 52047.3924 -109327.3883 299.1171 -161374.7807 -108972.4218 299.2921 -304.1723 -268.0745 761502.8101 -6.1480 -6.1233 PRESSURE: 3106200 -16.0316 55.0122 -105.595 55.0125 -53.4163 -75.6599 -105.594 -75.6595 -175.749 GPRESSURE: 3106200 -1.06608 2.44405 -40.9656 32.8932 -15.7693 -50.5405 -119.077 -7.96127 -142.449 PRESSAVG: 3106200 16.8833 27.929 58.8524 27.929 -7.42042 -30.6668 58.8524 -30.6667 6.90872 GPRESSAVG: 3106200 17.4961 27.0953 58.9351 29.0632 -6.49233 -30.2202 56.5778 -31.3805 5.8841 TIMING: 3106200 CPU: 9704.79, 0.00313606/step Wall: 9704.79, 0.00313606/step, 1.64974 hours remaining, 233.335938 MB of memory in use. ENERGY: 3106200 4005.4831 20322.2274 14443.8779 243.0869 -203111.8718 2457.2976 0.0000 0.0000 52131.1361 -109508.7628 299.5984 -161639.8989 -109151.8501 298.9758 -81.7323 -53.0947 762556.5564 5.4572 5.6293 PRESSURE: 3106400 -312.119 -310.915 46.0842 -310.915 -129.57 -206.346 46.0842 -206.346 27.0632 GPRESSURE: 3106400 -364.995 -374.336 67.0411 -327.432 -38.8587 -128.758 65.2655 -251.219 59.4773 PRESSAVG: 3106400 5.00001 3.80816 35.3816 3.80818 -6.14841 -1.71267 35.3816 -1.71268 -7.62912 GPRESSAVG: 3106400 6.1598 3.16906 39.1633 3.273 -7.09674 -1.55012 36.2178 -2.23446 -7.92824 TIMING: 3106400 CPU: 9705.42, 0.00316236/step Wall: 9705.42, 0.00316236/step, 1.6634 hours remaining, 233.335938 MB of memory in use. ENERGY: 3106400 3918.4527 20469.5269 14418.3653 240.8045 -202760.1020 2396.0406 0.0000 0.0000 51784.0694 -109532.8426 297.6038 -161316.9120 -109170.5310 298.5694 -138.2087 -114.7920 762844.2599 -2.9258 -2.9551 PRESSURE: 3106600 -250.456 19.6659 100.16 19.6659 -151.891 29.576 100.16 29.5764 -372.363 GPRESSURE: 3106600 -151.622 24.4501 203.476 58.7421 -168.32 36.1767 41.3112 -20.3814 -383.661 PRESSAVG: 3106600 -11.2893 -45.803 -13.3825 -45.8029 18.9101 1.0408 -13.3825 1.04079 11.3176 GPRESSAVG: 3106600 -12.7447 -45.9049 -16.9427 -46.2335 19.9152 0.522557 -12.8365 0.250105 11.368 TIMING: 3106600 CPU: 9706.05, 0.00312462/step Wall: 9706.05, 0.00312462/step, 1.64338 hours remaining, 233.335938 MB of memory in use. ENERGY: 3106600 3993.0494 20387.4784 14426.6576 237.6852 -202982.9402 2410.9741 0.0000 0.0000 52036.4529 -109490.6425 299.0542 -161527.0955 -109122.5609 298.8174 -258.2368 -234.5345 764493.9980 6.3128 6.1795 PRESSURE: 3106800 167.34 133.254 8.90006 133.254 68.9989 -63.1895 8.90011 -63.189 10.3355 GPRESSURE: 3106800 162.461 49.2382 13.892 92.5087 34.809 -88.7835 -29.2147 -136.026 121.521 PRESSAVG: 3106800 -38.9972 -9.71947 1.98309 -9.71952 35.8171 -3.77165 1.98303 -3.77175 11.0141 GPRESSAVG: 3106800 -39.2925 -11.3814 2.44593 -8.99449 37.0886 -3.42822 3.24445 -3.40286 11.0076 TIMING: 3106800 CPU: 9706.68, 0.00316081/step Wall: 9706.68, 0.00316081/step, 1.66223 hours remaining, 233.335938 MB of memory in use. ENERGY: 3106800 3978.2332 20416.8726 14423.1549 237.4281 -203300.2064 2654.9668 0.0000 0.0000 51856.2615 -109733.2893 298.0186 -161589.5508 -109377.4656 298.5745 82.2249 106.2637 762613.5331 2.6113 2.9346 PRESSURE: 3107000 -328.646 -36.6256 13.1216 -36.6256 -96.6207 -7.42578 13.1221 -7.42587 -110.266 GPRESSURE: 3107000 -303.768 -107.192 16.8632 -39.699 -45.7028 -4.53293 89.5545 -53.5533 -102.582 PRESSAVG: 3107000 -10.4768 -49.8623 40.8853 -49.8623 -16.6726 -81.5079 40.8852 -81.508 -4.15685 GPRESSAVG: 3107000 -9.51829 -47.5577 40.6092 -52.1978 -17.9302 -80.4188 40.0954 -82.5823 -4.22103 TIMING: 3107000 CPU: 9707.3, 0.00312729/step Wall: 9707.3, 0.00312729/step, 1.64444 hours remaining, 233.335938 MB of memory in use. ENERGY: 3107000 3920.1910 20362.5444 14435.6935 245.5665 -203268.0595 2611.1506 0.0000 0.0000 51811.9294 -109880.9841 297.7639 -161692.9135 -109525.7884 297.9495 -178.5108 -150.6844 764262.4535 -10.4354 -10.5565 PRESSURE: 3107200 -309.322 -19.8269 -117.03 -19.8269 89.4051 -110.599 -117.03 -110.599 -273.59 GPRESSURE: 3107200 -200.056 -73.5004 -113.543 -24.2197 92.8552 -120.703 -111.086 -151.274 -300.862 PRESSAVG: 3107200 -26.0426 -4.36906 44.7081 -4.36908 42.3167 -2.71838 44.7081 -2.71836 -17.1863 GPRESSAVG: 3107200 -25.6847 -5.75304 44.0431 -1.72081 41.3307 -3.21124 44.9531 -2.83186 -16.6148 TIMING: 3107200 CPU: 9707.94, 0.00316358/step Wall: 9707.94, 0.00316358/step, 1.66334 hours remaining, 233.335938 MB of memory in use. ENERGY: 3107200 4014.1647 20334.5226 14416.6531 263.0106 -203068.5577 2403.4057 0.0000 0.0000 51777.4612 -109859.3399 297.5658 -161636.8011 -109506.4086 297.6338 -164.5023 -136.0211 760395.2402 -0.3041 -0.3229 PRESSURE: 3107400 -226.428 -171.218 -103.057 -171.219 -301.017 12.8626 -103.056 12.8622 -212.792 GPRESSURE: 3107400 -183.163 -186.033 -120.877 -191.32 -344.934 88.2021 98.313 161.71 -111.565 PRESSAVG: 3107400 -52.4759 11.8304 53.6159 11.8304 73.7753 -9.98968 53.6159 -9.98954 -6.71883 GPRESSAVG: 3107400 -52.9819 12.2836 54.5825 12.0423 74.4417 -10.1867 53.7301 -9.62979 -6.56134 TIMING: 3107400 CPU: 9708.58, 0.00319233/step Wall: 9708.58, 0.00319233/step, 1.67828 hours remaining, 233.335938 MB of memory in use. ENERGY: 3107400 3910.3690 20327.5203 14418.1327 253.7795 -202967.4084 2407.6717 0.0000 0.0000 51924.1188 -109725.8163 298.4086 -161649.9351 -109362.4814 298.2973 -246.7456 -213.2203 761777.4771 4.8602 4.9662 PRESSURE: 3107600 247.759 -14.7838 -149.328 -14.7826 51.4746 -262.984 -149.328 -262.984 298.141 GPRESSURE: 3107600 243.959 40.167 -150.042 -51.4277 93.5123 -224.797 -198.667 -276.257 349.102 PRESSAVG: 3107600 -29.387 6.54404 32.9874 6.54404 37.4117 68.1919 32.9874 68.1919 3.98737 GPRESSAVG: 3107600 -29.6375 6.97887 34.2733 5.90869 37.3535 69.114 30.2747 68.0993 4.64249 TIMING: 3107600 CPU: 9709.21, 0.00315434/step Wall: 9709.21, 0.00315434/step, 1.65813 hours remaining, 233.335938 MB of memory in use. ENERGY: 3107600 3937.3505 20611.5689 14382.0515 253.6544 -203065.0247 2421.8407 0.0000 0.0000 51848.3692 -109610.1896 297.9733 -161458.5588 -109255.0713 298.2623 199.1249 228.8577 761728.5653 4.0040 4.1195 PRESSURE: 3107800 -39.6549 100.298 21.2431 100.298 -311.675 -39.2963 21.2434 -39.2958 116.825 GPRESSURE: 3107800 24.8097 94.777 147.768 122.769 -272.307 13.345 -77.8651 -50.5291 96.9833 PRESSAVG: 3107800 -26.0052 -58.2939 -19.4702 -58.2939 4.463 -13.2591 -19.4701 -13.2591 24.6844 GPRESSAVG: 3107800 -24.8504 -61.1897 -19.2271 -59.103 4.38035 -13.9838 -18.2362 -14.151 24.3535 TIMING: 3107800 CPU: 9709.84, 0.00315667/step Wall: 9709.84, 0.00315667/step, 1.65918 hours remaining, 233.335938 MB of memory in use. ENERGY: 3107800 4023.4904 20447.2536 14408.3571 228.1097 -203121.6181 2511.8278 0.0000 0.0000 51845.6918 -109656.8878 297.9579 -161502.5796 -109306.0757 298.8434 -78.1684 -50.1714 761760.4940 1.0474 1.2945 PRESSURE: 3108000 -90.475 120.485 117.431 120.484 -431.487 178.665 117.431 178.664 -122.77 GPRESSURE: 3108000 -4.6047 97.2035 69.6325 122.217 -437.38 70.8489 131.479 141.489 -116.255 PRESSAVG: 3108000 15.2609 -18.053 4.97926 -18.053 -23.1841 10.1593 4.97925 10.1593 -22.0826 GPRESSAVG: 3108000 15.6612 -16.802 3.90707 -16.9308 -23.1213 10.0747 4.40305 9.5362 -22.1771 TIMING: 3108000 CPU: 9710.47, 0.00315863/step Wall: 9710.47, 0.00315863/step, 1.66004 hours remaining, 233.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3108000 4043.4961 20495.2341 14429.2056 241.1530 -203069.9066 2419.7867 0.0000 0.0000 51917.6271 -109523.4040 298.3713 -161441.0311 -109165.4173 298.4339 -214.9105 -186.0798 762849.4520 -10.0019 -9.8791 PRESSURE: 3108200 -280.11 -82.2512 -208.333 -82.2509 3.26042 3.46892 -208.333 3.46886 200.348 GPRESSURE: 3108200 -180.294 -76.7254 -209.418 9.52968 58.9724 -1.14955 -67.8676 21.8627 130.958 PRESSAVG: 3108200 18.4514 7.68944 10.7654 7.68941 9.86806 -52.2632 10.7655 -52.2632 -25.4378 GPRESSAVG: 3108200 18.2141 8.69571 10.3997 6.54749 10.235 -52.7216 11.0834 -50.5242 -25.8905 TIMING: 3108200 CPU: 9711.1, 0.00315249/step Wall: 9711.1, 0.00315249/step, 1.65663 hours remaining, 233.335938 MB of memory in use. ENERGY: 3108200 4012.2434 20600.7050 14459.7868 274.0864 -203116.1217 2348.6117 0.0000 0.0000 51820.8234 -109599.8649 297.8150 -161420.6883 -109237.7299 298.6844 -25.5006 3.2123 761192.5609 0.9606 0.8529 LDB: ============= START OF LOAD BALANCING ============== 9723.58 LDB: ============== END OF LOAD BALANCING =============== 9723.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9723.59 LDB: ============= START OF LOAD BALANCING ============== 9723.9 LDB: Largest compute 7007 load 0.030204 is 15.5% of average load 0.195221 LDB: Average compute 0.004354 is 2.2% of average load 0.195221 LDB: TIME 9723.91 LOAD: AVG 0.195221 MAX 0.21336 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.879 MB LDB: TIME 9723.91 LOAD: AVG 0.195221 MAX 0.21336 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.879 MB LDB: TIME 9723.91 LOAD: AVG 0.195221 MAX 0.21336 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.879 MB LDB: ============== END OF LOAD BALANCING =============== 9723.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 9723.91 Info: useSync: 0 useProxySync: 0 PRESSURE: 3108400 140.44 97.1744 -59.3677 97.1738 177.672 61.7258 -59.3694 61.7248 172.841 GPRESSURE: 3108400 168.047 240.39 -14.4508 71.4881 227.986 55.4546 -20.6374 26.9178 180.035 PRESSAVG: 3108400 24.3128 -49.1222 -15.9737 -49.1222 28.8713 16.8236 -15.9737 16.8236 -5.80963 GPRESSAVG: 3108400 24.1281 -48.5435 -14.5686 -48.3752 27.921 16.5339 -15.2947 17.4654 -4.81903 TIMING: 3108400 CPU: 9711.75, 0.00324563/step Wall: 9711.75, 0.00324563/step, 1.7054 hours remaining, 234.617188 MB of memory in use. ENERGY: 3108400 4016.2096 20560.6931 14492.3712 258.5860 -203322.0150 2597.7297 0.0000 0.0000 51881.0275 -109515.3979 298.1610 -161396.4254 -109166.1100 298.6089 163.6507 192.0224 760467.3504 15.7915 15.7434 PRESSURE: 3108600 184.804 112.235 -146.719 112.236 -402.32 155.172 -146.72 155.172 133.253 GPRESSURE: 3108600 150.889 -52.0347 -107.581 35.1068 -246.55 -5.40294 -127.462 212.908 107.054 PRESSAVG: 3108600 -32.1933 -68.3427 40.1526 -68.3428 -10.6929 -15.127 40.1526 -15.1271 -10.7439 GPRESSAVG: 3108600 -31.8623 -70.1214 40.3201 -68.1636 -10.088 -15.4159 38.8406 -15.6825 -11.2281 TIMING: 3108600 CPU: 9712.38, 0.00317143/step Wall: 9712.38, 0.00317143/step, 1.66624 hours remaining, 234.816406 MB of memory in use. ENERGY: 3108600 3971.6091 20776.9366 14463.5070 244.8379 -203282.7581 2542.4804 0.0000 0.0000 51825.7948 -109457.5922 297.8436 -161283.3870 -109096.6926 299.0523 -28.0876 3.7977 760099.1481 -17.8767 -17.7261 PRESSURE: 3108800 246.631 103.96 -233.777 103.96 24.5954 -94.9787 -233.777 -94.9794 302.772 GPRESSURE: 3108800 262.272 107.652 -276.671 27.3677 88.0191 8.55917 -281.311 -77.4026 318.78 PRESSAVG: 3108800 -14.2041 -19.249 19.6861 -19.2491 -30.6049 -41.8474 19.6862 -41.8473 -28.9301 GPRESSAVG: 3108800 -14.2461 -17.1865 17.5269 -19.2032 -29.811 -41.1582 19.8329 -43.2867 -29.8969 TIMING: 3108800 CPU: 9713.01, 0.0031585/step Wall: 9713.01, 0.0031585/step, 1.65926 hours remaining, 234.816406 MB of memory in use. ENERGY: 3108800 3953.6400 20648.6785 14397.1332 235.6270 -203254.5130 2535.0285 0.0000 0.0000 51914.0563 -109570.3495 298.3508 -161484.4058 -109211.5974 298.4760 191.3327 223.0238 761562.4293 -24.5797 -24.6514 PRESSURE: 3109000 -417.727 -77.3887 272.739 -77.3881 -182.914 -41.1872 272.739 -41.1884 -353.328 GPRESSURE: 3109000 -326.458 -140.616 363.4 -62.2084 -128.101 -35.7234 240.812 -46.2403 -411.79 PRESSAVG: 3109000 42.262 -3.86698 5.34053 -3.86691 -42.5044 -10.7348 5.34054 -10.7348 6.12714 GPRESSAVG: 3109000 41.9866 -5.76649 6.01721 -3.49856 -43.7754 -10.028 5.44379 -11.1164 7.51095 TIMING: 3109000 CPU: 9713.65, 0.00315849/step Wall: 9713.65, 0.00315849/step, 1.65909 hours remaining, 234.816406 MB of memory in use. ENERGY: 3109000 3972.0410 20559.4837 14475.5481 244.5877 -202963.6156 2312.4495 0.0000 0.0000 51845.7335 -109553.7721 297.9581 -161399.5056 -109189.3114 298.8086 -317.9895 -288.7830 762836.5459 1.9616 1.9074 PRESSURE: 3109200 191.296 -244.527 107.863 -244.527 91.025 -223.229 107.864 -223.229 -237.657 GPRESSURE: 3109200 214.245 -112.565 103.303 -135.756 133.452 -257.94 116.836 -41.8775 -208.542 PRESSAVG: 3109200 -38.9692 23.6603 7.32194 23.6603 25.1225 -25.9191 7.32188 -25.9191 -2.83771 GPRESSAVG: 3109200 -39.6148 24.5362 7.8573 23.4177 26.1392 -26.1928 8.89983 -24.0711 -3.17611 TIMING: 3109200 CPU: 9714.28, 0.00314892/step Wall: 9714.28, 0.00314892/step, 1.65388 hours remaining, 234.816406 MB of memory in use. ENERGY: 3109200 4001.8867 20369.1826 14451.3050 247.4314 -203627.8431 2908.3943 0.0000 0.0000 51933.2204 -109716.4226 298.4609 -161649.6430 -109350.4803 298.5461 14.8882 46.3851 762613.5913 -5.5615 -5.5505 PRESSURE: 3109400 283.188 -61.8406 260.285 -61.8409 82.22 -35.7848 260.286 -35.7843 183.92 GPRESSURE: 3109400 337.524 15.941 406.07 75.0479 121.193 -77.2282 119.638 -40.631 176.391 PRESSAVG: 3109400 -41.9221 -26.3187 24.659 -26.3187 46.5102 -46.6694 24.6591 -46.6694 -16.6922 GPRESSAVG: 3109400 -39.9413 -27.1014 25.3667 -27.2315 44.8919 -45.9025 22.7162 -48.7149 -16.8365 TIMING: 3109400 CPU: 9714.91, 0.00316376/step Wall: 9714.91, 0.00316376/step, 1.6615 hours remaining, 234.816406 MB of memory in use. ENERGY: 3109400 4056.2355 20446.1798 14439.8169 247.2232 -203611.7750 2900.0420 0.0000 0.0000 52006.6209 -109515.6566 298.8828 -161522.2775 -109148.7546 298.5537 183.1093 211.7027 763418.9115 -4.0347 -3.9620 PRESSURE: 3109600 181.385 29.3184 278.872 29.3184 -479.586 -52.1423 278.872 -52.1433 37.9732 GPRESSURE: 3109600 144.287 1.46211 200.736 0.337805 -399.798 -50.1067 288.737 -3.4149 59.0923 PRESSAVG: 3109600 -46.9444 -26.0627 85.2416 -26.0628 42.7396 4.48821 85.2415 4.48821 26.5945 GPRESSAVG: 3109600 -48.3003 -27.125 83.2752 -23.9794 45.0583 4.77897 85.6099 5.98821 26.3567 TIMING: 3109600 CPU: 9715.54, 0.00315676/step Wall: 9715.54, 0.00315676/step, 1.65765 hours remaining, 234.816406 MB of memory in use. ENERGY: 3109600 3998.0148 20391.3986 14418.9168 263.3826 -203219.3523 2741.3948 0.0000 0.0000 52017.7685 -109388.4761 298.9468 -161406.2446 -109027.1471 298.7947 -86.7427 -65.4728 764979.5983 7.4632 7.7049 PRESSURE: 3109800 88.0255 -276.717 108.054 -276.715 -347.485 -339.892 108.054 -339.891 -113.46 GPRESSURE: 3109800 77.0947 -208.683 131.236 -276.966 -317.712 -342.384 138.926 -206.626 -51.7849 PRESSAVG: 3109800 -34.585 -57.6635 -7.21479 -57.6634 1.53154 -3.19579 -7.21475 -3.19583 -1.4205 GPRESSAVG: 3109800 -33.7317 -55.2525 -6.62497 -59.3655 -0.207037 -4.04702 -7.04277 -3.02664 0.00498746 TIMING: 3109800 CPU: 9716.17, 0.00315461/step Wall: 9716.17, 0.00315461/step, 1.65634 hours remaining, 234.816406 MB of memory in use. ENERGY: 3109800 3993.0592 20485.8914 14423.6535 239.9983 -203474.8901 2709.6868 0.0000 0.0000 52195.2855 -109427.3155 299.9670 -161622.6010 -109064.6226 298.5082 -124.3067 -97.4675 763178.3312 -11.4913 -11.3113 PRESSURE: 3110000 -141.722 -181.403 -38.8126 -181.404 126.411 278.076 -38.8126 278.076 569.351 GPRESSURE: 3110000 -0.213733 -63.9177 9.84649 -213.042 162.502 334.482 -137.791 156.013 493.239 PRESSAVG: 3110000 -71.7165 -61.8832 -37.4904 -61.8832 44.2496 26.8922 -37.4904 26.8922 3.24209 GPRESSAVG: 3110000 -70.5371 -62.3156 -36.9502 -61.995 44.5471 26.4645 -36.0521 27.6029 2.07523 TIMING: 3110000 CPU: 9716.8, 0.00315077/step Wall: 9716.8, 0.00315077/step, 1.65415 hours remaining, 234.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3110000 3954.7290 20538.4525 14451.9002 256.2609 -203319.9304 2865.7817 0.0000 0.0000 51702.5844 -109550.2216 297.1355 -161252.8060 -109186.4216 298.3544 184.6800 218.5091 762239.0865 -8.0750 -7.9716 PRESSURE: 3110200 -172.151 -131.209 81.7662 -131.208 -133.831 -96.0862 81.7656 -96.0878 -19.4022 GPRESSURE: 3110200 -144.17 -10.7527 -12.8357 -181.131 -11.4474 -166.529 19.15 -40.0367 -92.3982 PRESSAVG: 3110200 -14.5766 -54.1637 -34.7213 -54.1636 -22.4442 -14.2253 -34.7213 -14.2253 -16.1727 GPRESSAVG: 3110200 -15.7747 -53.1843 -35.6291 -54.2688 -21.4676 -13.8407 -34.6403 -18.6288 -15.4192 TIMING: 3110200 CPU: 9717.43, 0.0031307/step Wall: 9717.43, 0.0031307/step, 1.64344 hours remaining, 234.816406 MB of memory in use. ENERGY: 3110200 3978.8762 20556.6674 14422.1727 253.7996 -202973.4403 2557.8193 0.0000 0.0000 51853.6760 -109350.4292 298.0038 -161204.1052 -108983.6459 298.3919 -108.4614 -82.6718 762884.8614 -17.7312 -17.5538 PRESSURE: 3110400 159.303 -216.644 175.512 -216.644 -22.2129 7.75549 175.511 7.75544 -66.6809 GPRESSURE: 3110400 190.435 -208.659 104.05 -156.202 78.4144 -5.95578 279.13 -63.2918 -119.961 PRESSAVG: 3110400 51.9563 -6.50398 -12.7562 -6.50405 -31.5599 -31.7413 -12.7563 -31.7413 26.8758 GPRESSAVG: 3110400 52.1135 -9.35401 -12.4715 -5.04295 -32.1413 -31.8672 -10.7527 -30.0378 27.7046 TIMING: 3110400 CPU: 9718.06, 0.00316582/step Wall: 9718.06, 0.00316582/step, 1.6617 hours remaining, 234.816406 MB of memory in use. ENERGY: 3110400 3972.5848 20372.2541 14407.8876 251.2449 -203349.6026 2727.6114 0.0000 0.0000 51991.3472 -109626.6726 298.7950 -161618.0198 -109262.6208 298.4351 23.4699 49.6296 761801.9010 15.7574 15.8923 PRESSURE: 3110600 -130.474 104.814 -332.641 104.813 -401.68 -244.57 -332.641 -244.57 -141.043 GPRESSURE: 3110600 -192.452 5.74638 -365.719 185.209 -317.378 -180.275 -254.875 -228.507 -55.1528 PRESSAVG: 3110600 -3.23047 6.44913 -4.49234 6.4492 -49.5877 34.7548 -4.49241 34.7549 -5.36888 GPRESSAVG: 3110600 -2.83239 7.90936 -3.5771 3.59629 -47.2912 34.3299 -4.81924 33.5095 -8.03787 TIMING: 3110600 CPU: 9718.69, 0.0031579/step Wall: 9718.69, 0.0031579/step, 1.65737 hours remaining, 234.816406 MB of memory in use. ENERGY: 3110600 3988.2502 20438.4558 14475.8413 254.2170 -203294.7070 2559.4110 0.0000 0.0000 52022.3137 -109556.2180 298.9730 -161578.5317 -109184.6968 299.0203 -224.3991 -188.3277 762815.5563 -19.3957 -19.3872 PRESSURE: 3110800 -73.3939 -53.0915 98.4537 -53.0921 265.481 -83.0688 98.4525 -83.0691 -356.715 GPRESSURE: 3110800 -11.8971 -39.7524 112.553 -97.7919 215.059 -33.0632 29.8592 -8.41714 -267.289 PRESSAVG: 3110800 3.72973 4.57737 -8.58913 4.57733 43.8699 -19.6696 -8.58916 -19.6697 -0.423903 GPRESSAVG: 3110800 4.20875 4.84648 -9.47263 5.4278 42.3213 -18.5749 -10.8082 -18.9792 1.08012 TIMING: 3110800 CPU: 9719.32, 0.00316358/step Wall: 9719.32, 0.00316359/step, 1.66018 hours remaining, 234.816406 MB of memory in use. ENERGY: 3110800 3905.7451 20538.3734 14477.2200 249.3440 -203018.6862 2458.8660 0.0000 0.0000 51794.0954 -109595.0424 297.6614 -161389.1378 -109241.5381 298.3655 -54.8758 -21.3756 760388.3291 15.7252 15.8700 PRESSURE: 3111000 77.7759 37.0163 -48.1512 37.0162 -205.403 96.8737 -48.1529 96.874 158.266 GPRESSURE: 3111000 128.538 10.8186 -48.9721 85.8739 -121.713 98.7325 18.7492 105.118 115.956 PRESSAVG: 3111000 -62.1085 -20.4605 -47.9848 -20.4605 59.5702 18.916 -47.9849 18.916 5.11579 GPRESSAVG: 3111000 -63.112 -19.8456 -48.0841 -20.2209 60.747 19.1687 -47.0078 19.3244 4.70636 TIMING: 3111000 CPU: 9719.96, 0.00317656/step Wall: 9719.96, 0.00317656/step, 1.66681 hours remaining, 234.816406 MB of memory in use. ENERGY: 3111000 3976.5578 20627.8151 14391.5266 243.9062 -203391.7928 2718.8566 0.0000 0.0000 51879.3453 -109553.7851 298.1513 -161433.1305 -109201.6895 298.5776 10.2133 40.9270 761561.8718 0.8592 0.7805 PRESSURE: 3111200 -75.9357 -61.9499 89.7306 -61.95 -84.35 81.869 89.7309 81.8678 -292.194 GPRESSURE: 3111200 -136.075 -109.964 107.528 89.5274 8.09025 25.0026 118.74 123.012 -255.933 PRESSAVG: 3111200 10.5335 25.0639 21.113 25.0638 -33.3982 7.8806 21.113 7.88054 5.14222 GPRESSAVG: 3111200 12.1416 24.8433 22.2107 25.0716 -34.8062 7.67833 20.604 8.33424 4.81663 TIMING: 3111200 CPU: 9720.59, 0.00315314/step Wall: 9720.59, 0.00315313/step, 1.65434 hours remaining, 234.816406 MB of memory in use. ENERGY: 3111200 3962.7180 20528.7910 14427.5278 242.8765 -203404.2439 2393.5396 0.0000 0.0000 52302.0123 -109546.7786 300.5804 -161848.7910 -109176.8805 298.6347 -150.8267 -127.9723 762012.1869 -5.9075 -5.9493 PRESSURE: 3111400 -133.603 0.122873 -53.3629 0.122395 -29.4347 -95.2492 -53.363 -95.2498 -351.276 GPRESSURE: 3111400 -124.113 99.1024 -182.736 34.7855 16.0499 -116.434 -52.8729 -84.861 -310.024 PRESSAVG: 3111400 -17.843 22.0871 30.1177 22.087 18.0524 60.8712 30.1177 60.8712 1.73897 GPRESSAVG: 3111400 -19.6809 21.4482 30.544 23.1423 19.2523 59.8499 30.7079 64.9306 2.36427 TIMING: 3111400 CPU: 9721.22, 0.00316346/step Wall: 9721.22, 0.00316346/step, 1.65959 hours remaining, 234.816406 MB of memory in use. ENERGY: 3111400 3980.6819 20439.1500 14468.3366 239.0659 -203550.3975 2718.7034 0.0000 0.0000 51909.6947 -109794.7651 298.3257 -161704.4597 -109441.2329 298.7159 -171.4379 -139.3623 761660.9503 0.6495 0.6452 PRESSURE: 3111600 -97.4394 99.8417 206.952 99.8409 100.01 98.5128 206.952 98.5134 246.025 GPRESSURE: 3111600 -51.3891 124.139 243.808 -4.0368 107.294 92.9095 105.222 206.364 295.79 PRESSAVG: 3111600 -8.97 38.6927 -22.7595 38.6927 1.27056 80.5342 -22.7595 80.5342 -23.4332 GPRESSAVG: 3111600 -8.52957 39.0939 -23.376 36.317 -0.0517962 80.1513 -22.8668 76.3954 -22.5675 TIMING: 3111600 CPU: 9721.85, 0.00314575/step Wall: 9721.85, 0.00314575/step, 1.65012 hours remaining, 234.816406 MB of memory in use. ENERGY: 3111600 3994.2310 20352.5361 14483.4892 251.3478 -203212.6856 2637.8540 0.0000 0.0000 51830.1877 -109663.0397 297.8688 -161493.2275 -109309.6312 298.0192 82.8653 117.2315 761038.5522 -10.3776 -10.3829 PRESSURE: 3111800 -232.946 -181.082 -111.622 -181.082 -282.199 -83.0653 -111.621 -83.0641 84.3031 GPRESSURE: 3111800 -181.143 -103.195 -124.31 -164.434 -234.664 -158.076 -92.7609 56.8144 88.8919 PRESSAVG: 3111800 -27.8619 39.1095 31.8001 39.1095 9.53391 31.0806 31.8001 31.0805 4.08752 GPRESSAVG: 3111800 -27.1248 37.4748 29.5212 40.5395 10.1804 32.5045 33.2424 32.3407 3.11983 TIMING: 3111800 CPU: 9722.48, 0.00315904/step Wall: 9722.48, 0.00315904/step, 1.65692 hours remaining, 234.816406 MB of memory in use. ENERGY: 3111800 3929.7744 20438.4918 14474.4117 235.7779 -203412.5952 2786.1438 0.0000 0.0000 51932.1095 -109615.8861 298.4545 -161547.9956 -109247.5971 298.5864 -143.6137 -108.9718 761776.3897 -4.7468 -4.6082 PRESSURE: 3112000 -115.491 15.1404 114.985 15.1393 105.25 94.4203 114.984 94.4207 54.9287 GPRESSURE: 3112000 -26.7879 1.86836 135.626 -5.33055 119.364 14.4098 118.347 135.657 39.1784 PRESSAVG: 3112000 -72.0511 29.6465 -11.1894 29.6464 29.7685 5.24184 -11.1894 5.24183 5.8632 GPRESSAVG: 3112000 -73.1077 31.103 -7.37782 30.8649 30.2422 6.23406 -12.7124 3.71008 6.08456 TIMING: 3112000 CPU: 9723.12, 0.0031557/step Wall: 9723.12, 0.0031557/step, 1.65499 hours remaining, 234.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3112000 3954.9160 20457.2301 14375.8422 256.1520 -203595.3534 3025.9933 0.0000 0.0000 52072.8734 -109452.3464 299.2635 -161525.2197 -109094.3620 298.5430 14.8960 43.9182 762904.9729 -12.1398 -12.2603 PRESSURE: 3112200 70.3213 -73.9549 -274.045 -73.9549 -209.896 -156.89 -274.045 -156.89 -273.426 GPRESSURE: 3112200 46.6222 -90.6221 -256.24 -131.584 -157.928 -237.745 -186.062 -105.517 -212.558 PRESSAVG: 3112200 -0.867281 -5.30461 15.7582 -5.30463 -4.28533 36.3111 15.7581 36.3111 -4.70662 GPRESSAVG: 3112200 -0.708787 -6.08156 14.0011 -5.81022 -4.85869 35.4904 17.6837 36.4596 -3.87079 TIMING: 3112200 CPU: 9723.75, 0.00316986/step Wall: 9723.75, 0.00316986/step, 1.66224 hours remaining, 234.816406 MB of memory in use. ENERGY: 3112200 3976.5230 20498.3785 14459.3689 261.7062 -203185.2201 2634.7463 0.0000 0.0000 52072.6230 -109281.8743 299.2621 -161354.4972 -108921.3950 298.8412 -137.6671 -107.9547 762401.5262 -3.2864 -3.1461 LDB: ============= START OF LOAD BALANCING ============== 9736.23 LDB: ============== END OF LOAD BALANCING =============== 9736.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9736.23 LDB: ============= START OF LOAD BALANCING ============== 9736.55 LDB: Largest compute 7007 load 0.029699 is 15.2% of average load 0.195221 LDB: Average compute 0.004375 is 2.2% of average load 0.195221 LDB: TIME 9736.55 LOAD: AVG 0.195221 MAX 0.21982 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.77 MB LDB: TIME 9736.55 LOAD: AVG 0.195221 MAX 0.21982 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.77 MB LDB: TIME 9736.55 LOAD: AVG 0.195221 MAX 0.212201 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.77 MB LDB: ============== END OF LOAD BALANCING =============== 9736.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9736.56 PRESSURE: 3112400 -528.559 -224.981 21.114 -224.981 -48.6757 -32.4282 21.1136 -32.4274 -237.285 GPRESSURE: 3112400 -427.776 -237.793 92.5643 -119.789 -94.148 -52.2522 30.1641 -56.0966 -218.09 PRESSAVG: 3112400 -57.0192 28.1862 -35.6948 28.1861 23.2487 -10.4328 -35.6947 -10.4328 -16.5744 GPRESSAVG: 3112400 -56.2295 28.3946 -34.7236 25.5798 22.5652 -11.3744 -36.9698 -10.7188 -16.8819 TIMING: 3112400 CPU: 9724.39, 0.00320326/step Wall: 9724.39, 0.00320326/step, 1.67958 hours remaining, 234.050781 MB of memory in use. ENERGY: 3112400 4130.6293 20440.7153 14508.9032 250.1124 -202945.7857 2621.6126 0.0000 0.0000 52076.1931 -108917.6197 299.2826 -160993.8128 -108550.2935 299.3460 -271.5065 -246.6712 762597.6714 -16.7816 -16.8487 PRESSURE: 3112600 -386.903 -15.4712 7.18333 -15.4704 -460.802 -44.4583 7.18329 -44.4586 239.025 GPRESSURE: 3112600 -302.347 74.9671 26.9829 -23.6957 -421.656 55.9651 -77.153 -87.1679 200.668 PRESSAVG: 3112600 -30.5952 -41.0009 -3.0066 -41.0009 11.3333 -7.81728 -3.0066 -7.81731 -2.96768 GPRESSAVG: 3112600 -30.8663 -38.9095 -4.4365 -41.3553 12.2156 -6.92921 -2.38126 -8.42938 -3.21262 TIMING: 3112600 CPU: 9725.02, 0.00313817/step Wall: 9725.02, 0.00313817/step, 1.64527 hours remaining, 234.050781 MB of memory in use. ENERGY: 3112600 4005.2440 20686.1872 14449.0572 262.8678 -202827.5860 2380.4153 0.0000 0.0000 52106.0998 -108937.7147 299.4545 -161043.8146 -108578.5919 299.9495 -202.8930 -174.4449 761778.4245 -7.4099 -7.2877 PRESSURE: 3112800 -109.012 -15.3312 -46.3114 -15.3311 -202.298 24.6184 -46.3107 24.6186 10.5956 GPRESSURE: 3112800 -28.0441 -159.33 -100.78 -58.2588 -188.514 45.7244 -175.283 10.4414 14.3581 PRESSAVG: 3112800 -11.1671 -5.34778 -13.2333 -5.34783 25.1381 26.5071 -13.2332 26.507 -6.76358 GPRESSAVG: 3112800 -11.0606 -7.47458 -13.0034 -5.2967 24.6732 27.9204 -15.2869 27.1786 -6.78534 TIMING: 3112800 CPU: 9725.64, 0.0031327/step Wall: 9725.64, 0.0031327/step, 1.64223 hours remaining, 234.050781 MB of memory in use. ENERGY: 3112800 3971.9406 20568.6461 14488.6756 244.9940 -203469.2359 2838.2022 0.0000 0.0000 52483.1531 -108873.6244 301.6214 -161356.7776 -108491.2119 300.5236 -100.2380 -67.3999 763671.7942 2.4025 2.2758 PRESSURE: 3113000 -264.798 44.5002 -194.012 44.4999 -6.77531 -283.789 -194.012 -283.79 -619.807 GPRESSURE: 3113000 -257.103 17.7999 -127.68 61.4063 2.41678 -249.175 -112.023 -233.82 -518.843 PRESSAVG: 3113000 25.3559 -13.6835 -27.7289 -13.6835 11.116 45.9137 -27.7289 45.9137 -7.27212 GPRESSAVG: 3113000 24.9768 -12.9746 -27.3252 -12.1857 10.1484 44.3867 -24.9335 44.7239 -5.63462 TIMING: 3113000 CPU: 9726.28, 0.00315365/step Wall: 9726.28, 0.00315365/step, 1.65304 hours remaining, 234.050781 MB of memory in use. ENERGY: 3113000 4051.8102 20563.5591 14524.5042 243.8592 -203063.5998 2421.1331 0.0000 0.0000 52371.3701 -108887.3640 300.9790 -161258.7341 -108517.6545 300.7971 -297.1268 -257.8431 762168.4966 9.7333 9.8302 PRESSURE: 3113200 21.8875 -34.4693 188.954 -34.4698 321.139 114.244 188.953 114.244 37.7548 GPRESSURE: 3113200 89.7839 -83.1816 137.187 -53.3383 406.092 135.446 110.959 148.635 -5.30781 PRESSAVG: 3113200 -59.1113 -24.194 -10.8302 -24.194 86.0254 -1.07102 -10.8301 -1.07105 11.3198 GPRESSAVG: 3113200 -58.6927 -26.9988 -10.5077 -24.5724 86.6692 -0.75145 -13.6739 1.00455 10.0579 TIMING: 3113200 CPU: 9726.9, 0.00314415/step Wall: 9726.9, 0.00314415/step, 1.64788 hours remaining, 234.050781 MB of memory in use. ENERGY: 3113200 3984.7497 20652.0489 14543.5778 255.3629 -203296.7044 2843.6453 0.0000 0.0000 52161.9272 -108855.3925 299.7753 -161017.3196 -108501.6220 300.4943 126.9271 163.5226 763331.7775 12.7446 12.6782 PRESSURE: 3113400 -76.3796 -237.708 -139.128 -237.707 43.3442 -18.2038 -139.127 -18.2042 225.531 GPRESSURE: 3113400 -121.985 -263.28 -171.482 -151.402 89.8801 -14.8767 -22.6353 -98.3568 312.749 PRESSAVG: 3113400 -32.7046 12.6622 45.6188 12.6623 11.3854 10.4456 45.6188 10.4456 8.32594 GPRESSAVG: 3113400 -32.786 14.7337 45.67 12.1679 12.076 9.42557 45.8099 10.0327 8.13066 TIMING: 3113400 CPU: 9727.53, 0.00313102/step Wall: 9727.53, 0.00313102/step, 1.64083 hours remaining, 234.050781 MB of memory in use. ENERGY: 3113400 4016.5147 20735.0140 14482.2503 242.4184 -203322.7087 2901.4058 0.0000 0.0000 51907.8610 -109037.2444 298.3152 -160945.1053 -108673.5201 299.7722 64.1653 93.5482 763384.5349 -4.3311 -4.1931 PRESSURE: 3113600 208.112 -4.64665 39.5799 -4.64678 78.3571 143.099 39.5795 143.1 315.341 GPRESSURE: 3113600 222.889 -18.8431 -14.1052 -7.45751 135.145 126.907 65.3859 224.028 309.411 PRESSAVG: 3113600 -4.98424 16.2402 38.8265 16.2401 -25.3223 1.55585 38.8265 1.55588 -36.7098 GPRESSAVG: 3113600 -4.74093 17.4656 37.7463 15.3485 -25.2073 0.5121 41.0114 1.78556 -37.268 TIMING: 3113600 CPU: 9728.15, 0.00312124/step Wall: 9728.15, 0.00312124/step, 1.63553 hours remaining, 234.050781 MB of memory in use. ENERGY: 3113600 4057.5581 20443.2039 14545.4524 242.8461 -203161.1405 2944.6301 0.0000 0.0000 52194.8618 -108732.5881 299.9646 -160927.4499 -108368.1532 299.7021 200.6032 222.4816 764129.8078 -22.3388 -22.4054 PRESSURE: 3113800 43.0188 121.856 -118.233 121.856 90.4123 -113.501 -118.233 -113.502 316.474 GPRESSURE: 3113800 59.3084 186.041 58.2012 108.398 83.9217 -109.941 -184.005 -20.6049 386.227 PRESSAVG: 3113800 5.91992 -17.5648 7.244 -17.5648 3.4446 15.0127 7.24397 15.0127 -12.8184 GPRESSAVG: 3113800 6.9264 -17.2534 7.54819 -15.7288 2.97006 16.4053 6.51335 13.8107 -12.5888 TIMING: 3113800 CPU: 9728.79, 0.00315713/step Wall: 9728.79, 0.00315713/step, 1.65416 hours remaining, 234.050781 MB of memory in use. ENERGY: 3113800 3907.7722 20685.6896 14497.1316 243.4695 -202997.4994 2647.0283 0.0000 0.0000 52144.5153 -108871.8930 299.6752 -161016.4083 -108512.9902 300.1501 149.9683 176.4857 762982.6852 -1.1513 -0.8975 PRESSURE: 3114000 -21.22 -125.934 -252.253 -125.933 -13.3617 128.953 -252.253 128.954 139.461 GPRESSURE: 3114000 2.87299 -59.7156 -265.857 -33.9169 44.2657 31.1785 -301.285 79.1373 123.817 PRESSAVG: 3114000 -32.3597 12.6678 13.8868 12.6678 44.0033 -28.1509 13.8868 -28.151 7.24697 GPRESSAVG: 3114000 -33.2757 11.4472 13.2581 12.7935 44.6995 -29.2002 13.2997 -25.6911 7.42068 TIMING: 3114000 CPU: 9729.41, 0.0031449/step Wall: 9729.41, 0.0031449/step, 1.64758 hours remaining, 234.050781 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: 3114000 4049.9025 20611.2151 14494.9295 247.7312 -203399.8627 2823.1539 0.0000 0.0000 52100.2595 -109072.6711 299.4209 -161172.9305 -108713.9744 299.7174 34.9599 56.9852 763913.7483 6.2969 6.2815 PRESSURE: 3114200 137.03 -39.9233 -0.285849 -39.923 -142.076 -7.59719 -0.28506 -7.59602 286.186 GPRESSURE: 3114200 122.989 -107.655 93.0887 -17.4248 -35.6783 31.8901 33.7172 36.2422 288.46 PRESSAVG: 3114200 -7.51609 29.6754 50.8745 29.6755 18.0846 5.90637 50.8744 5.90638 -9.98302 GPRESSAVG: 3114200 -8.20423 30.2888 52.9286 29.0032 18.657 7.36657 51.1052 3.35882 -10.0449 TIMING: 3114200 CPU: 9730.04, 0.00312604/step Wall: 9730.04, 0.00312604/step, 1.63752 hours remaining, 234.050781 MB of memory in use. ENERGY: 3114200 3860.6685 20314.0697 14551.8546 256.9617 -203237.6821 2841.7917 0.0000 0.0000 52262.7022 -109149.6338 300.3545 -161412.3361 -108783.0369 299.7516 93.7133 125.2571 763736.4941 0.1952 0.1360 PRESSURE: 3114400 -20.4829 -10.0582 -7.59951 -10.058 -327.144 101.374 -7.59957 101.373 -479.048 GPRESSURE: 3114400 -66.2353 87.1345 -15.7154 26.7348 -162.491 113.178 -64.4618 -10.6625 -488.234 PRESSAVG: 3114400 -60.6866 48.8552 27.9878 48.8551 67.9575 27.8366 27.9878 27.8366 1.11241 GPRESSAVG: 3114400 -60.8097 49.1616 26.8018 49.493 67.3399 26.9949 28.1365 29.2847 2.02114 TIMING: 3114400 CPU: 9730.67, 0.00313972/step Wall: 9730.67, 0.00313972/step, 1.64452 hours remaining, 234.050781 MB of memory in use. ENERGY: 3114400 4020.9874 20556.1214 14454.0383 264.3084 -203427.4065 2919.3682 0.0000 0.0000 52076.0554 -109136.5274 299.2818 -161212.5828 -108780.6274 299.4154 -275.5586 -238.9867 764057.2063 2.7944 2.8504 PRESSURE: 3114600 -325.07 214.909 -79.7499 214.908 6.39975 189.991 -79.7496 189.991 141.81 GPRESSURE: 3114600 -234.304 228.127 -126.143 198.274 53.693 227.615 -148.329 167.452 88.0874 PRESSAVG: 3114600 4.04308 40.9492 -50.1759 40.9491 5.52769 33.8222 -50.1759 33.8222 -30.8679 GPRESSAVG: 3114600 5.66084 38.0814 -50.7648 42.5269 4.79592 33.2632 -48.7681 32.2377 -32.0977 TIMING: 3114600 CPU: 9731.3, 0.00315232/step Wall: 9731.3, 0.00315232/step, 1.65094 hours remaining, 234.050781 MB of memory in use. ENERGY: 3114600 3953.8877 20582.0679 14366.5899 255.4316 -203242.1399 2846.5907 0.0000 0.0000 52222.9447 -109014.6274 300.1260 -161237.5721 -108653.1252 300.0101 -58.9533 -30.8411 760836.9070 -7.0990 -7.2136 PRESSURE: 3114800 -167.367 -18.117 132.497 -18.117 -155.939 -34.0397 132.498 -34.0399 110.335 GPRESSURE: 3114800 -79.2186 109.436 143.784 -95.9106 -202.276 -46.6359 250.386 -199.037 145.45 PRESSAVG: 3114800 40.2405 23.5246 50.0337 23.5246 -2.54457 4.74351 50.0338 4.74356 -1.33774 GPRESSAVG: 3114800 40.3896 25.6479 52.163 21.0645 -2.89761 5.31058 50.4303 4.03347 -1.44831 TIMING: 3114800 CPU: 9731.93, 0.00315283/step Wall: 9731.93, 0.00315283/step, 1.65103 hours remaining, 234.050781 MB of memory in use. ENERGY: 3114800 3997.1397 20580.6918 14456.0168 243.6674 -203473.7618 3022.9540 0.0000 0.0000 52170.4870 -109002.8050 299.8245 -161173.2920 -108637.0266 300.2806 -70.9901 -45.3482 763028.2691 12.1194 12.0146 PRESSURE: 3115000 -45.8307 -68.067 107.878 -68.0664 188.768 -233.533 107.878 -233.533 339.159 GPRESSURE: 3115000 -33.1458 -3.33327 99.2281 -57.7763 271.498 -274.142 102.981 -179.569 318.163 PRESSAVG: 3115000 -49.432 17.7416 62.2758 17.7417 6.97646 -14.4593 62.2758 -14.4593 -39.5455 GPRESSAVG: 3115000 -49.3651 18.7623 60.0993 17.8428 6.63203 -14.8871 60.4895 -13.0519 -38.6775 TIMING: 3115000 CPU: 9732.56, 0.00313515/step Wall: 9732.56, 0.00313515/step, 1.6416 hours remaining, 234.050781 MB of memory in use. ENERGY: 3115000 3972.1244 20590.7385 14487.8607 243.2472 -202806.2577 2692.0426 0.0000 0.0000 52083.9871 -108736.2572 299.3274 -160820.2443 -108374.6097 300.2506 160.6988 185.5049 763263.5992 -27.3337 -27.1368 PRESSURE: 3115200 -389.914 182.232 15.8187 182.232 41.6625 -45.4105 15.8187 -45.411 131.029 GPRESSURE: 3115200 -423.8 102.874 129.668 176.801 127.637 4.50612 -6.99568 -67.5913 137.365 PRESSAVG: 3115200 -100.981 -16.0735 36.0631 -16.0735 70.5813 3.40816 36.0631 3.40828 -7.68697 GPRESSAVG: 3115200 -102.18 -18.7101 35.7035 -15.332 72.6481 2.35415 36.1019 2.37126 -7.95081 TIMING: 3115200 CPU: 9733.18, 0.00312544/step Wall: 9733.18, 0.00312544/step, 1.63634 hours remaining, 234.050781 MB of memory in use. ENERGY: 3115200 4018.8251 20674.0715 14447.5078 243.0140 -203013.9908 2612.3193 0.0000 0.0000 52277.4568 -108740.7963 300.4393 -161018.2531 -108374.6788 300.2906 -72.4074 -52.9328 763441.1767 -12.6955 -12.4943 PRESSURE: 3115400 32.7982 -19.1686 -167.179 -19.1684 51.7336 178.497 -167.179 178.497 -251.125 GPRESSURE: 3115400 72.6744 -51.4828 -205.247 -38.0212 84.7341 170.185 -218.009 192.18 -257.961 PRESSAVG: 3115400 48.9942 48.9946 5.9206 48.9946 22.6522 25.0386 5.92064 25.0386 34.4014 GPRESSAVG: 3115400 50.5506 50.99 5.44983 48.8847 21.2 24.9917 6.54244 24.3482 33.7618 TIMING: 3115400 CPU: 9733.81, 0.00313608/step Wall: 9733.81, 0.00313608/step, 1.64174 hours remaining, 234.050781 MB of memory in use. ENERGY: 3115400 3977.7701 20645.5725 14436.3747 237.4625 -203110.9652 2505.7744 0.0000 0.0000 52608.8728 -108699.1382 302.3439 -161308.0110 -108329.3638 300.6742 -55.5310 -33.5174 763551.7790 35.3493 35.1708 PRESSURE: 3115600 -48.4733 -18.6807 -196.478 -18.6803 -39.0351 -180.755 -196.477 -180.756 -288.635 GPRESSURE: 3115600 20.5513 -74.8083 -156.726 -76.5697 -7.64466 -126.053 -267.865 -260.274 -287.254 PRESSAVG: 3115600 -23.8842 31.4996 18.5996 31.4997 8.15797 18.5409 18.5996 18.5409 -6.46402 GPRESSAVG: 3115600 -25.4874 32.2148 19.596 30.6545 8.94508 19.8609 18.5572 18.4024 -5.62041 TIMING: 3115600 CPU: 9734.43, 0.00313235/step Wall: 9734.43, 0.00313235/step, 1.63961 hours remaining, 234.050781 MB of memory in use. ENERGY: 3115600 4066.3632 20562.5976 14462.1360 251.1984 -202874.3091 2436.6030 0.0000 0.0000 52284.6344 -108810.7763 300.4805 -161095.4107 -108451.3825 300.3113 -125.3813 -91.4492 762433.0756 -7.3967 -7.3876 PRESSURE: 3115800 -85.2407 47.6443 314.85 47.644 11.2913 41.346 314.85 41.3461 -167.712 GPRESSURE: 3115800 -52.1823 104.757 295.183 61.9461 -0.678391 -11.468 290.972 2.66854 -107.946 PRESSAVG: 3115800 5.15272 -17.5086 57.9062 -17.5086 22.112 -18.163 57.9061 -18.1629 -12.5145 GPRESSAVG: 3115800 5.8892 -19.5321 57.8897 -17.7049 22.762 -17.6653 58.1996 -16.5038 -13.2034 TIMING: 3115800 CPU: 9735.06, 0.00314113/step Wall: 9735.06, 0.00314113/step, 1.64403 hours remaining, 234.050781 MB of memory in use. ENERGY: 3115800 4003.5731 20648.8242 14434.5982 254.5298 -203059.1622 2793.2435 0.0000 0.0000 52026.8952 -108897.4982 298.9993 -160924.3934 -108540.3653 299.8099 -80.5539 -53.6022 761452.6387 4.9168 5.1493 PRESSURE: 3116000 -31.096 -228.069 42.4196 -228.069 99.9958 -55.6962 42.4187 -55.6961 -96.677 GPRESSURE: 3116000 5.00226 -349.329 19.6888 -162.07 72.2658 -60.6545 -5.52738 -24.5281 -37.3047 PRESSAVG: 3116000 -16.5646 -74.9527 47.2852 -74.9527 61.2345 -33.9105 47.2851 -33.9105 -6.40186 GPRESSAVG: 3116000 -15.4386 -74.0492 46.6235 -71.9824 59.947 -34.8917 46.6452 -34.4951 -6.60399 TIMING: 3116000 CPU: 9735.69, 0.00314248/step Wall: 9735.69, 0.00314248/step, 1.64457 hours remaining, 234.050781 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: 3116000 3995.3757 20534.5975 14462.7872 252.2063 -202978.1047 2738.3587 0.0000 0.0000 52118.4037 -108876.3756 299.5252 -160994.7793 -108512.4283 299.7568 -9.2591 13.3211 763796.0261 12.7560 12.6348 PRESSURE: 3116200 0.646282 120.766 -61.6279 120.766 21.5346 50.6972 -61.6281 50.6965 -46.031 GPRESSURE: 3116200 47.9399 146.387 74.1652 58.0705 128.527 -2.19433 72.3205 89.0293 -119.691 PRESSAVG: 3116200 -71.943 -18.493 40.0083 -18.493 75.279 39.0881 40.0082 39.0881 -18.4959 GPRESSAVG: 3116200 -72.9123 -20.8216 40.1129 -20.4377 75.4621 39.6393 40.9586 40.4694 -18.5441 TIMING: 3116200 CPU: 9736.32, 0.0031268/step Wall: 9736.32, 0.0031268/step, 1.63618 hours remaining, 234.050781 MB of memory in use. ENERGY: 3116200 3885.7230 20626.7651 14501.4400 236.1006 -202385.6251 2430.8797 0.0000 0.0000 51722.8448 -108981.8718 297.2519 -160704.7166 -108622.5093 299.6526 -7.9501 18.9252 764269.1567 -5.0533 -5.3314 LDB: ============= START OF LOAD BALANCING ============== 9748.8 LDB: ============== END OF LOAD BALANCING =============== 9748.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9748.8 LDB: ============= START OF LOAD BALANCING ============== 9749.11 LDB: Largest compute 6996 load 0.030611 is 15.7% of average load 0.195272 LDB: Average compute 0.004360 is 2.2% of average load 0.195272 LDB: TIME 9749.12 LOAD: AVG 0.195272 MAX 0.217398 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.051 MB LDB: TIME 9749.12 LOAD: AVG 0.195272 MAX 0.217398 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.055 MB LDB: TIME 9749.12 LOAD: AVG 0.195272 MAX 0.217398 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.055 MB LDB: ============== END OF LOAD BALANCING =============== 9749.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9749.12 PRESSURE: 3116400 54.776 28.7965 -107.848 28.7969 532.64 -134.718 -107.847 -134.719 177.612 GPRESSURE: 3116400 190.514 -5.11309 -34.3209 37.4686 438.664 -58.3813 -141.496 -214.638 216.073 PRESSAVG: 3116400 -15.5826 7.89186 10.0606 7.89186 7.83842 -34.6552 10.0606 -34.6552 6.37222 GPRESSAVG: 3116400 -14.4785 7.28025 10.6299 9.48766 7.79375 -34.6541 8.18386 -36.0176 5.47085 TIMING: 3116400 CPU: 9736.96, 0.00320132/step Wall: 9736.96, 0.00320132/step, 1.675 hours remaining, 234.617188 MB of memory in use. ENERGY: 3116400 3975.7107 20606.4364 14462.8244 252.8687 -202919.0326 2621.1416 0.0000 0.0000 51822.9820 -109177.0687 297.8274 -161000.0507 -108830.7759 298.6775 255.0093 281.7504 763541.2279 -0.4573 -0.4046 PRESSURE: 3116600 39.7462 86.8688 244.029 86.8694 54.0796 248.626 244.029 248.626 -337.989 GPRESSURE: 3116600 90.7675 73.9604 274.233 30.2351 86.4496 111.247 117.463 126.853 -303.545 PRESSAVG: 3116600 -13.3722 29.6638 24.8577 29.6637 7.95893 42.9566 24.8576 42.9566 -6.30295 GPRESSAVG: 3116600 -13.8607 30.429 25.7521 29.1679 5.74413 42.275 23.9883 44.7041 -4.32793 TIMING: 3116600 CPU: 9737.59, 0.00314253/step Wall: 9737.59, 0.00314253/step, 1.64407 hours remaining, 234.875000 MB of memory in use. ENERGY: 3116600 3853.1144 20611.2412 14550.1573 255.6872 -203226.6634 2802.5422 0.0000 0.0000 52074.6266 -109079.2945 299.2736 -161153.9211 -108718.5065 299.4348 -81.3878 -42.1091 763763.8597 -3.9054 -4.1481 PRESSURE: 3116800 158.864 -177.736 173.609 -177.736 268.804 -116.395 173.61 -116.394 93.9242 GPRESSURE: 3116800 203.261 -112.148 126.346 -100.366 264.022 -133.371 280.423 -28.236 161.108 PRESSAVG: 3116800 31.5816 24.1659 40.3955 24.1659 -54.6476 -30.4027 40.3955 -30.4026 8.66284 GPRESSAVG: 3116800 30.7282 23.9952 38.3619 25.5057 -51.7322 -30.1945 41.8267 -31.0349 6.98793 TIMING: 3116800 CPU: 9738.21, 0.00312754/step Wall: 9738.21, 0.00312754/step, 1.63605 hours remaining, 234.875000 MB of memory in use. ENERGY: 3116800 4019.5824 20520.5489 14452.4497 242.7424 -203570.9064 2854.4917 0.0000 0.0000 52302.1915 -109178.8998 300.5814 -161481.0912 -108813.9437 299.4151 173.8642 209.4637 762119.3319 -4.8011 -4.6720 PRESSURE: 3117000 -14.7294 140.267 -229.601 140.267 271.613 -97.4826 -229.6 -97.4825 351.977 GPRESSURE: 3117000 174.124 91.8264 -238.938 108.942 193.591 -130.251 -158.151 -120.502 334.486 PRESSAVG: 3117000 11.0355 8.63842 52.3 8.63843 56.1381 -17.7307 52.3 -17.7308 9.41628 GPRESSAVG: 3117000 12.2533 10.3461 52.772 6.14165 53.6742 -17.1517 53.4918 -19.7579 11.333 TIMING: 3117000 CPU: 9738.84, 0.0031321/step Wall: 9738.84, 0.0031321/step, 1.63826 hours remaining, 235.132812 MB of memory in use. ENERGY: 3117000 3942.6506 20610.1765 14466.7753 251.9358 -203469.0524 2825.0882 0.0000 0.0000 52158.0849 -109214.3410 299.7532 -161372.4259 -108856.0036 299.4730 202.9534 234.0670 760618.5781 25.5300 25.7535 PRESSURE: 3117200 -110.415 213.067 -15.7844 213.067 -41.5275 -84.7234 -15.784 -84.7224 -2.45997 GPRESSURE: 3117200 -120.171 198.515 47.749 109.074 -19.7118 36.1481 -135.01 -141.281 71.1478 PRESSAVG: 3117200 -25.7092 8.36116 36.2833 8.36108 -17.8221 15.0698 36.2832 15.0698 -21.4197 GPRESSAVG: 3117200 -26.9627 6.4029 37.0528 7.20551 -15.39 15.9525 35.0188 17.3136 -22.3909 TIMING: 3117200 CPU: 9739.47, 0.00314237/step Wall: 9739.47, 0.00314237/step, 1.64346 hours remaining, 235.132812 MB of memory in use. ENERGY: 3117200 4039.5651 20490.8817 14442.1425 239.6109 -203285.5586 2848.1492 0.0000 0.0000 52131.0643 -109094.1448 299.5979 -161225.2092 -108734.0907 299.3961 -51.4674 -22.9117 764675.6785 -21.6503 -21.5812 PRESSURE: 3117400 146.576 13.7469 195.31 13.748 -481.933 -142.607 195.31 -142.608 254.758 GPRESSURE: 3117400 120.476 -21.0027 207.81 75.436 -375.24 -183.331 168.555 -35.0869 255.35 PRESSAVG: 3117400 23.2352 -18.8451 -46.1345 -18.845 -22.2953 37.3329 -46.1345 37.3329 7.77083 GPRESSAVG: 3117400 23.8399 -18.662 -46.4 -17.2613 -23.0544 36.0752 -45.5779 37.5221 7.96674 TIMING: 3117400 CPU: 9740.09, 0.00312312/step Wall: 9740.09, 0.00312312/step, 1.63322 hours remaining, 235.132812 MB of memory in use. ENERGY: 3117400 4026.0801 20247.0407 14564.0448 243.4639 -203073.1983 2778.6617 0.0000 0.0000 52093.7405 -109120.1666 299.3834 -161213.9071 -108754.5956 299.6839 -26.8663 0.1956 764625.6295 2.9036 2.9174 PRESSURE: 3117600 270.035 -23.6612 -122.512 -23.6619 -173.973 112.501 -122.511 112.501 312.057 GPRESSURE: 3117600 326.875 45.1127 -156.025 -57.1518 -161.623 154.804 -209.796 106.58 326.447 PRESSAVG: 3117600 54.0266 -9.18764 8.72782 -9.18764 -53.3109 10.7352 8.72783 10.7351 21.2625 GPRESSAVG: 3117600 53.9618 -8.50078 7.64562 -10.0218 -54.2872 11.3442 9.4498 9.341 21.6396 TIMING: 3117600 CPU: 9740.71, 0.00311162/step Wall: 9740.71, 0.00311162/step, 1.62703 hours remaining, 235.132812 MB of memory in use. ENERGY: 3117600 3945.7659 20630.0984 14582.9956 253.0984 -202799.4504 2580.9644 0.0000 0.0000 51738.8127 -109067.7149 297.3437 -160806.5277 -108711.4211 299.4533 136.0396 163.8998 763309.8696 7.3261 7.1047 PRESSURE: 3117800 -181.994 79.2491 -155.298 79.2481 -124.955 178.692 -155.298 178.693 -45.4088 GPRESSURE: 3117800 -138.608 184.16 -138.177 50.3321 -71.8373 145.65 38.5089 157.25 -47.6477 PRESSAVG: 3117800 37.792 -50.8652 18.0621 -50.8652 -11.8632 58.8456 18.0621 58.8456 -18.1483 GPRESSAVG: 3117800 37.4021 -50.4684 19.5321 -49.4236 -10.3665 58.8144 16.7258 57.1061 -18.5256 TIMING: 3117800 CPU: 9741.34, 0.00311361/step Wall: 9741.34, 0.00311361/step, 1.6279 hours remaining, 235.132812 MB of memory in use. ENERGY: 3117800 4035.1345 20362.3147 14493.0889 248.1517 -203081.4202 2599.9826 0.0000 0.0000 52108.0095 -109234.7382 299.4654 -161342.7478 -108870.6863 299.4177 -117.4526 -86.0309 764395.0643 2.5935 2.8367 PRESSURE: 3118000 425.069 115.085 -127.407 115.084 -100.683 51.4153 -127.407 51.4156 212.239 GPRESSURE: 3118000 320.419 100.18 -195.41 198.665 11.2037 82.0614 -244.205 -38.9061 271.662 PRESSAVG: 3118000 71.5107 18.9797 -49.6611 18.9797 -16.1569 32.1384 -49.6611 32.1384 26.4592 GPRESSAVG: 3118000 70.6226 18.3859 -50.3649 18.2699 -17.0427 33.5314 -47.968 33.5897 28.1197 TIMING: 3118000 CPU: 9741.96, 0.00312014/step Wall: 9741.96, 0.00312014/step, 1.63114 hours remaining, 235.132812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3118000 4035.2166 20564.9074 14466.3975 245.4360 -203610.2630 2960.6103 0.0000 0.0000 52083.7198 -109253.9754 299.3259 -161337.6952 -108904.7977 298.9882 178.8747 201.0950 763099.9759 27.2710 27.2332 PRESSURE: 3118200 120.729 -226.839 -151.298 -226.839 110.669 -50.3298 -151.299 -50.3303 47.712 GPRESSURE: 3118200 231.314 -312.969 -190.826 -127.401 81.9932 21.9848 -50.145 -80.0011 41.3445 PRESSAVG: 3118200 6.81115 -67.4715 -10.5694 -67.4715 -21.6222 51.5461 -10.5694 51.5461 -2.46934 GPRESSAVG: 3118200 8.57789 -68.6886 -9.52522 -65.7085 -20.9076 50.3247 -12.6585 51.2637 -5.09782 TIMING: 3118200 CPU: 9742.59, 0.00312972/step Wall: 9742.59, 0.00312972/step, 1.63598 hours remaining, 235.132812 MB of memory in use. ENERGY: 3118200 3896.5655 20681.5258 14473.6657 261.7538 -203261.1428 2717.2751 0.0000 0.0000 51771.5068 -109458.8500 297.5316 -161230.3568 -109100.6043 299.2519 93.0366 118.2172 762378.5153 -5.7601 -5.8092 PRESSURE: 3118400 -37.9941 99.2147 -6.59124 99.215 -11.2156 12.7225 -6.5906 12.7223 367.598 GPRESSURE: 3118400 -148.498 53.045 14.2043 -27.8563 135.062 58.6654 42.5982 -11.715 414.294 PRESSAVG: 3118400 -58.0847 -16.0936 -5.10565 -16.0936 48.5924 -11.4173 -5.10561 -11.4172 13.3039 GPRESSAVG: 3118400 -59.3215 -15.184 -3.58198 -18.3026 48.3255 -11.3761 -5.24869 -9.00146 14.9641 TIMING: 3118400 CPU: 9743.21, 0.0031351/step Wall: 9743.21, 0.0031351/step, 1.63861 hours remaining, 235.132812 MB of memory in use. ENERGY: 3118400 3945.8020 20489.0036 14538.8969 279.0348 -203503.1954 2771.4735 0.0000 0.0000 51965.6485 -109513.3360 298.6473 -161478.9845 -109146.4165 298.4738 106.1295 133.6196 762057.8826 1.2705 1.3227 PRESSURE: 3118600 227.892 172.581 -44.3692 172.58 -352.726 -152.987 -44.3701 -152.986 429.199 GPRESSURE: 3118600 185.566 184.542 -40.2505 148.03 -223.246 -128.679 161.631 -279.417 418.932 PRESSAVG: 3118600 -10.4828 2.60661 9.57255 2.60661 21.9276 8.45588 9.57253 8.45589 5.7002 GPRESSAVG: 3118600 -9.65916 4.74041 7.22441 4.64697 22.3663 7.63815 10.2286 6.751 4.14795 TIMING: 3118600 CPU: 9743.84, 0.00315682/step Wall: 9743.84, 0.00315682/step, 1.64979 hours remaining, 235.132812 MB of memory in use. ENERGY: 3118600 3933.7323 20566.2449 14479.6602 255.9591 -203033.1145 2416.1754 0.0000 0.0000 51903.0942 -109478.2484 298.2878 -161381.3426 -109107.8513 298.6430 101.4549 127.0841 761310.9313 5.7150 5.6184 PRESSURE: 3118800 223.863 -276.583 42.6878 -276.583 314.539 -197.513 42.6879 -197.514 305.593 GPRESSURE: 3118800 292.371 -280.728 86.3696 -244.861 322.533 -249.133 -131.937 -189.919 311.652 PRESSAVG: 3118800 2.01132 4.15765 28.1301 4.15765 17.7068 -0.707738 28.1302 -0.707755 8.58713 GPRESSAVG: 3118800 1.57654 1.28535 28.3321 3.27491 16.8321 0.899142 28.5484 -1.34749 9.4355 TIMING: 3118800 CPU: 9744.48, 0.00316145/step Wall: 9744.48, 0.00316145/step, 1.65203 hours remaining, 235.132812 MB of memory in use. ENERGY: 3118800 3925.6778 20610.6867 14418.9029 267.5562 -203496.9821 2967.4921 0.0000 0.0000 51903.9494 -109402.7170 298.2927 -161306.6664 -109044.5934 298.7374 281.3317 308.8521 760825.7275 9.4351 9.2814 PRESSURE: 3119000 -71.2551 173.836 69.848 173.837 26.4367 -243.548 69.8475 -243.549 -22.1229 GPRESSURE: 3119000 -57.3663 194.181 151.753 187.306 100.035 -179.932 37.9934 -229.148 5.81038 PRESSAVG: 3119000 6.7379 23.3934 -29.2629 23.3935 -11.6991 2.53014 -29.2629 2.53014 -10.7705 GPRESSAVG: 3119000 7.03117 24.1665 -28.239 23.3734 -11.5429 2.81121 -32.0361 3.36555 -10.7854 TIMING: 3119000 CPU: 9745.1, 0.00314212/step Wall: 9745.1, 0.00314212/step, 1.64176 hours remaining, 235.132812 MB of memory in use. ENERGY: 3119000 4021.8930 20456.4727 14404.7940 247.3481 -202881.8150 2362.5141 0.0000 0.0000 51894.1581 -109494.6349 298.2364 -161388.7930 -109130.5255 298.7632 -22.3138 16.1597 761465.9413 -5.2439 -5.0991 PRESSURE: 3119200 -188.742 -155.134 66.3217 -155.134 151.415 -154.993 66.3219 -154.993 -410.973 GPRESSURE: 3119200 -202.689 -137.147 22.4386 -163.998 170.724 -120.744 3.65321 -99.572 -338.097 PRESSAVG: 3119200 13.5718 -14.8332 59.4463 -14.8331 -22.6345 -34.6928 59.4464 -34.6927 -17.7075 GPRESSAVG: 3119200 12.819 -14.8632 59.0233 -15.0712 -20.6195 -35.817 61.9569 -33.071 -18.6792 TIMING: 3119200 CPU: 9745.73, 0.00311674/step Wall: 9745.73, 0.00311674/step, 1.62833 hours remaining, 235.132812 MB of memory in use. ENERGY: 3119200 3972.4041 20605.4652 14375.2613 238.6056 -203210.0768 2514.6592 0.0000 0.0000 52131.2925 -109372.3889 299.5993 -161503.6814 -109006.7461 298.6187 -149.4333 -123.3543 761911.1820 -8.9234 -8.8265 PRESSURE: 3119400 88.1001 -88.4237 -285.256 -88.4233 -90.2526 62.105 -285.256 62.1056 150.21 GPRESSURE: 3119400 129.963 -185.335 -304.961 -108.216 -96.2348 101.126 -412.083 140.439 222.242 PRESSAVG: 3119400 14.3425 2.67259 -16.4326 2.67257 -84.5281 12.7657 -16.4327 12.7657 -4.35414 GPRESSAVG: 3119400 15.1995 3.17404 -16.4471 3.91001 -85.7204 13.2299 -17.3328 10.4581 -3.91067 TIMING: 3119400 CPU: 9746.36, 0.00313587/step Wall: 9746.36, 0.00313587/step, 1.63814 hours remaining, 235.132812 MB of memory in use. ENERGY: 3119400 3963.5839 20648.4232 14452.2260 236.3168 -203485.7199 2989.7337 0.0000 0.0000 51905.7925 -109289.6438 298.3033 -161195.4364 -108933.8186 298.9145 49.3524 85.3235 762299.4479 -24.8466 -24.8105 PRESSURE: 3119600 -57.3463 23.5102 -177.641 23.5103 -27.4565 -173.373 -177.64 -173.373 253.257 GPRESSURE: 3119600 -45.1019 -95.1116 -38.7502 27.9458 21.603 -163.881 -19.1396 -44.4834 267.663 PRESSAVG: 3119600 -73.2002 26.537 10.9228 26.5371 66.4052 -17.5088 10.9228 -17.5088 8.2226 GPRESSAVG: 3119600 -73.9078 26.3861 11.3522 28.1672 67.207 -17.5058 10.7937 -15.4402 7.71222 TIMING: 3119600 CPU: 9746.98, 0.00313395/step Wall: 9746.98, 0.00313395/step, 1.63697 hours remaining, 235.132812 MB of memory in use. ENERGY: 3119600 3937.3853 20601.1057 14494.5767 249.9140 -203417.6203 2737.4226 0.0000 0.0000 52304.0488 -109093.1672 300.5921 -161397.2160 -108729.4227 299.5732 56.1514 81.3880 761577.6949 0.4759 0.3371 PRESSURE: 3119800 -8.38563 -0.466896 207.484 -0.467359 327.084 -48.2918 207.484 -48.2922 192.684 GPRESSURE: 3119800 174.88 51.7489 155.121 62.3055 191.657 -79.9492 178.022 73.1765 208.82 PRESSAVG: 3119800 -16.5899 44.4281 3.17867 44.428 25.7839 -7.58459 3.17865 -7.58469 5.35392 GPRESSAVG: 3119800 -16.4033 44.5552 0.311737 40.6669 24.881 -7.48451 4.81162 -7.76521 5.76591 TIMING: 3119800 CPU: 9747.61, 0.00313258/step Wall: 9747.61, 0.00313258/step, 1.63608 hours remaining, 235.132812 MB of memory in use. ENERGY: 3119800 3975.5910 20636.8717 14490.7500 235.6115 -202931.9963 2436.4769 0.0000 0.0000 52138.1381 -109018.5572 299.6386 -161156.6952 -108652.6907 299.7406 170.4610 191.7856 761425.0230 4.8493 4.7479 PRESSURE: 3120000 151.156 -145.684 -79.8279 -145.684 170.954 -53.6381 -79.8279 -53.638 164.399 GPRESSURE: 3120000 197.417 -34.6585 -200.729 -18.3421 237.348 -33.1221 -79.0892 4.49319 136.955 PRESSAVG: 3120000 -32.5141 -3.47687 19.065 -3.47689 59.2503 -29.1611 19.065 -29.1609 -0.166872 GPRESSAVG: 3120000 -32.1826 -3.57434 20.7682 -1.77681 58.5335 -29.1959 19.337 -28.0003 -0.394514 TIMING: 3120000 CPU: 9748.23, 0.00312492/step Wall: 9748.23, 0.00312492/step, 1.6319 hours remaining, 235.132812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3120000 4020.9598 20703.4622 14526.0589 255.2043 -203419.7547 2977.7983 0.0000 0.0000 51927.8259 -109008.4453 298.4299 -160936.2712 -108643.0001 299.5420 162.1696 190.5735 760769.1622 8.8565 8.6521 PRESSURE: 3120200 127.108 32.1405 129.866 32.1409 150.992 196.386 129.865 196.386 127.077 GPRESSURE: 3120200 156.696 56.0207 86.7273 81.8332 235.653 181.752 242.763 253.636 91.4585 PRESSAVG: 3120200 -2.0483 7.70995 24.8835 7.70991 28.8369 11.2962 24.8835 11.2962 -17.8313 GPRESSAVG: 3120200 -4.00289 8.49753 25.8259 6.90021 31.1074 12.9923 24.1755 9.39733 -18.1951 TIMING: 3120200 CPU: 9748.86, 0.0031142/step Wall: 9748.86, 0.0031142/step, 1.62613 hours remaining, 235.132812 MB of memory in use. ENERGY: 3120200 3974.7983 20618.0690 14524.0168 259.8963 -203345.8796 2860.8180 0.0000 0.0000 52256.7068 -108851.5744 300.3200 -161108.2811 -108490.2437 299.9556 135.0591 161.2691 761372.9640 2.9858 2.9698 LDB: ============= START OF LOAD BALANCING ============== 9761.33 LDB: ============== END OF LOAD BALANCING =============== 9761.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9761.34 LDB: ============= START OF LOAD BALANCING ============== 9761.65 LDB: Largest compute 7007 load 0.031277 is 16.0% of average load 0.195003 LDB: Average compute 0.004380 is 2.2% of average load 0.195003 LDB: TIME 9761.65 LOAD: AVG 0.195003 MAX 0.215581 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.133 MB LDB: TIME 9761.65 LOAD: AVG 0.195003 MAX 0.215581 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.133 MB LDB: TIME 9761.65 LOAD: AVG 0.195003 MAX 0.215581 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.133 MB LDB: ============== END OF LOAD BALANCING =============== 9761.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9761.66 PRESSURE: 3120400 -157.357 64.0199 136.349 64.0195 -90.2253 9.75232 136.349 9.75248 -110.869 GPRESSURE: 3120400 -78.3397 107.745 116.323 -27.657 -64.9375 32.7644 37.3792 106.252 -144.846 PRESSAVG: 3120400 10.8993 -27.6427 65.9027 -27.6427 10.5579 14.1783 65.9027 14.1783 -8.57538 GPRESSAVG: 3120400 11.6263 -29.6823 65.6438 -27.0009 9.32892 12.5565 65.5302 15.8997 -8.27118 TIMING: 3120400 CPU: 9749.49, 0.00318194/step Wall: 9749.49, 0.00318194/step, 1.66133 hours remaining, 233.847656 MB of memory in use. ENERGY: 3120400 3944.0548 20663.4559 14463.7578 240.6500 -202711.9242 2671.9560 0.0000 0.0000 52006.0351 -108722.0145 298.8794 -160728.0497 -108360.0268 300.2098 -119.4839 -96.0412 763851.0240 4.2939 4.2280 PRESSURE: 3120600 -152.017 -13.1927 123.204 -13.1935 90.0908 81.0504 123.204 81.0499 -72.1507 GPRESSURE: 3120600 -91.8433 -66.8006 70.3768 8.99614 206.943 196.519 199.568 -5.09072 -160.777 PRESSAVG: 3120600 50.9675 -26.6574 12.1959 -26.6574 -35.9538 67.1151 12.1959 67.1152 -1.51747 GPRESSAVG: 3120600 49.9094 -25.9267 11.8118 -28.1762 -36.1016 68.4065 11.6307 66.2675 -0.433412 TIMING: 3120600 CPU: 9750.12, 0.00313557/step Wall: 9750.12, 0.00313557/step, 1.63694 hours remaining, 233.847656 MB of memory in use. ENERGY: 3120600 3969.9255 20587.5840 14556.7893 253.2304 -203044.7104 2610.1226 0.0000 0.0000 52153.5941 -108913.4647 299.7274 -161067.0587 -108557.7291 299.9959 -44.6924 -15.2255 763259.2056 4.4987 4.4581 PRESSURE: 3120800 -93.2259 207.469 -5.95361 207.47 -185.781 -193.635 -5.95344 -193.637 21.018 GPRESSURE: 3120800 -79.6947 156.08 41.3323 88.8715 -126.133 -224.464 59.4036 -153.464 53.0813 PRESSAVG: 3120800 5.16109 -1.74043 25.4851 -1.74043 20.1769 4.90677 25.4851 4.90688 19.9681 GPRESSAVG: 3120800 7.19463 -1.02852 27.0023 -1.44479 20.916 5.17497 27.3156 4.67037 17.7666 TIMING: 3120800 CPU: 9750.75, 0.00315167/step Wall: 9750.75, 0.00315167/step, 1.64517 hours remaining, 233.847656 MB of memory in use. ENERGY: 3120800 3980.5004 20330.5496 14446.5305 262.9025 -202785.4322 2627.6603 0.0000 0.0000 52056.0948 -109081.1942 299.1671 -161137.2890 -108706.5643 299.4045 -85.9962 -50.9154 764882.1620 15.1020 15.2924 PRESSURE: 3121000 53.0264 -126.705 -107.647 -126.705 2.48369 -37.34 -107.648 -37.3403 -255.448 GPRESSURE: 3121000 8.19918 -67.8682 -163.585 -131.343 92.6317 -11.3568 -222.032 55.6257 -217.21 PRESSAVG: 3121000 -54.3357 -12.3393 -36.5887 -12.3394 26.7524 10.1491 -36.5887 10.1491 -41.674 GPRESSAVG: 3121000 -55.6235 -14.1421 -37.3497 -10.8641 27.1214 9.45473 -38.5739 10.3589 -40.5137 TIMING: 3121000 CPU: 9751.38, 0.00314104/step Wall: 9751.38, 0.00314104/step, 1.63945 hours remaining, 233.847656 MB of memory in use. ENERGY: 3121000 3949.3316 20564.5750 14542.7011 256.2110 -202871.7564 2542.7433 0.0000 0.0000 52108.6318 -108907.5626 299.4690 -161016.1944 -108543.8499 299.8478 -66.6460 -38.7931 763860.4451 -23.0858 -23.0053 PRESSURE: 3121200 -35.5099 -83.6084 87.4187 -83.6084 173.115 -44.8531 87.4182 -44.8533 97.0346 GPRESSURE: 3121200 40.1406 -110.695 184.894 -99.6835 109.894 -146.311 36.1637 56.0059 163.726 PRESSAVG: 3121200 26.2999 -16.4674 -11.2714 -16.4674 -30.8564 -52.5273 -11.2714 -52.5272 -6.47434 GPRESSAVG: 3121200 26.2219 -15.066 -11.1843 -17.3195 -30.6428 -52.7219 -11.1655 -54.2609 -6.89946 TIMING: 3121200 CPU: 9752, 0.00311128/step Wall: 9752, 0.00311128/step, 1.62374 hours remaining, 233.847656 MB of memory in use. ENERGY: 3121200 4073.0213 20408.6256 14581.6301 246.9374 -203188.0626 2939.8266 0.0000 0.0000 52141.2020 -108796.8195 299.6562 -160938.0215 -108440.4914 300.3185 78.2133 104.5871 763406.9913 -3.6770 -3.7735 PRESSURE: 3121400 102.949 -180.266 -228.127 -180.267 -26.2186 -189.445 -228.127 -189.444 153.633 GPRESSURE: 3121400 145.754 -172.951 -214.107 -150.189 -17.3944 -145.144 -179.629 -162.722 173.992 PRESSAVG: 3121400 -36.8209 -11.4761 -31.9415 -11.4761 46.7737 -77.0714 -31.9415 -77.0715 23.6588 GPRESSAVG: 3121400 -36.0304 -12.285 -32.3494 -12.5864 46.1455 -76.3713 -31.9876 -74.9671 23.2748 TIMING: 3121400 CPU: 9752.62, 0.00312009/step Wall: 9752.62, 0.00312009/step, 1.62817 hours remaining, 233.847656 MB of memory in use. ENERGY: 3121400 4039.9921 20344.1182 14506.5307 242.3140 -203058.7500 2748.9390 0.0000 0.0000 52410.4528 -108766.4033 301.2036 -161176.8561 -108402.5013 300.1668 76.7879 100.7838 764297.7292 11.2038 11.1299 PRESSURE: 3121600 -146.749 -15.5431 22.4498 -15.5439 3.89297 9.59598 22.4497 9.59572 -215.418 GPRESSURE: 3121600 -93.7543 -11.3155 11.5413 -35.9043 91.9498 90.1925 -37.3557 12.507 -284.027 PRESSAVG: 3121600 -40.6377 -5.40132 37.4685 -5.4013 25.1949 9.11833 37.4686 9.11835 10.9611 GPRESSAVG: 3121600 -40.7411 -2.66813 39.1301 -5.10369 25.2877 8.49537 37.3137 8.39009 11.2127 TIMING: 3121600 CPU: 9753.25, 0.00311272/step Wall: 9753.25, 0.00311272/step, 1.62415 hours remaining, 233.847656 MB of memory in use. ENERGY: 3121600 4038.6224 20557.6438 14463.4371 236.4586 -202933.9841 2592.8657 0.0000 0.0000 52570.2692 -108474.6873 302.1221 -161044.9565 -108112.2197 301.0670 -119.4247 -95.2770 763995.8364 -1.4939 -1.4136 PRESSURE: 3121800 -17.6693 107.537 -129.33 107.537 -100.56 -152.091 -129.33 -152.092 -13.3303 GPRESSURE: 3121800 44.8602 171.296 -131.557 96.3941 -33.5984 -209.6 -130.593 -61.3906 -43.4681 PRESSAVG: 3121800 -6.23351 -43.7965 -1.20332 -43.7964 -1.78081 -21.1947 -1.20328 -21.1947 -33.6488 GPRESSAVG: 3121800 -6.53136 -45.5542 -3.2218 -43.3228 -1.30544 -19.7684 -1.01101 -21.3673 -33.7106 TIMING: 3121800 CPU: 9753.87, 0.00313245/step Wall: 9753.87, 0.00313245/step, 1.63427 hours remaining, 233.847656 MB of memory in use. ENERGY: 3121800 3923.4496 20428.7425 14464.6834 234.9202 -202798.7650 2631.6667 0.0000 0.0000 52512.9483 -108602.3543 301.7926 -161115.3027 -108234.3094 300.9509 -43.8531 -10.7354 764453.0769 -13.8877 -13.8491 PRESSURE: 3122000 84.3586 -61.7395 147.17 -61.7398 239.777 138.568 147.17 138.568 46.4583 GPRESSURE: 3122000 81.0636 -127.683 112.707 -69.7934 272.161 115.318 98.1481 96.225 98.1545 PRESSAVG: 3122000 -41.0489 0.779285 -24.4071 0.779283 -7.97303 10.8089 -24.4071 10.8089 16.1832 GPRESSAVG: 3122000 -42.3338 1.23269 -24.4573 0.667404 -8.52345 9.86635 -24.9471 11.1959 17.8491 TIMING: 3122000 CPU: 9754.5, 0.00311626/step Wall: 9754.5, 0.00311626/step, 1.62565 hours remaining, 233.847656 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: 3122000 3878.7873 20427.9607 14472.3374 245.7042 -202887.4760 3023.0994 0.0000 0.0000 52218.2890 -108621.2980 300.0992 -160839.5870 -108247.8211 300.4899 123.5312 150.4596 763653.7652 -10.9462 -11.0027 PRESSURE: 3122200 -84.9528 151.7 -21.118 151.699 206.38 -78.8184 -21.119 -78.8185 205.757 GPRESSURE: 3122200 -132.935 96.7991 -46.9776 104.055 313.911 48.2953 141.064 -106.528 246.07 PRESSAVG: 3122200 29.6179 47.0195 4.67578 47.0194 -22.7222 8.98531 4.67576 8.98526 -25.0375 GPRESSAVG: 3122200 30.2093 48.9558 4.87565 47.539 -22.4935 9.00142 7.16966 7.87061 -25.5763 TIMING: 3122200 CPU: 9755.12, 0.00313441/step Wall: 9755.12, 0.00313442/step, 1.63495 hours remaining, 233.847656 MB of memory in use. ENERGY: 3122200 3929.9712 20470.1425 14480.7511 250.3084 -202508.0200 2592.9371 0.0000 0.0000 52307.8649 -108476.0448 300.6140 -160783.9097 -108107.5947 300.5419 109.0614 142.3487 764149.9500 -6.0472 -5.9535 PRESSURE: 3122400 -199.581 -142.661 -91.0592 -142.661 -122.716 0.803667 -91.0583 0.804048 267.769 GPRESSURE: 3122400 -34.1247 -121.339 -28.9483 -248.569 -102.899 42.5497 -92.7332 50.8747 171.338 PRESSAVG: 3122400 11.7973 -1.1556 28.5289 -1.15562 0.0927329 -14.1854 28.5289 -14.1854 -9.25814 GPRESSAVG: 3122400 12.8723 -1.92586 28.5692 -2.44321 -0.542272 -13.5303 27.304 -13.9992 -9.76806 TIMING: 3122400 CPU: 9755.75, 0.00314938/step Wall: 9755.75, 0.00314938/step, 1.64258 hours remaining, 233.847656 MB of memory in use. ENERGY: 3122400 4041.0133 20577.8040 14548.2624 238.8613 -203225.6495 3092.9964 0.0000 0.0000 52111.0901 -108615.6219 299.4832 -160726.7120 -108259.8181 300.8416 -18.1757 11.4379 763231.5672 0.8773 0.8540 PRESSURE: 3122600 -38.5184 162.187 203.543 162.187 -278.935 95.5678 203.542 95.5684 -260.256 GPRESSURE: 3122600 -80.9554 158.906 158.538 152.751 -239.157 96.5096 249.624 68.0987 -186.496 PRESSAVG: 3122600 32.4354 -1.80867 8.57933 -1.80864 -12.7568 -50.3308 8.57928 -50.3308 11.2022 GPRESSAVG: 3122600 31.9726 -2.95391 9.29393 -2.72553 -12.1648 -51.0005 7.94209 -49.7251 11.0159 TIMING: 3122600 CPU: 9756.38, 0.00312537/step Wall: 9756.38, 0.00312537/step, 1.62988 hours remaining, 233.847656 MB of memory in use. ENERGY: 3122600 3983.6937 20616.0370 14460.5984 246.9481 -202784.9344 2754.6027 0.0000 0.0000 52240.6352 -108482.4192 300.2276 -160723.0545 -108124.1370 300.3164 -192.5698 -168.8697 764572.8906 10.2936 10.2746 PRESSURE: 3122800 -89.8314 204.068 -115.413 204.068 -218.593 -44.6576 -115.413 -44.6579 -275.965 GPRESSURE: 3122800 -118.292 321.353 -97.2165 157.307 -148.255 -18.6783 -61.5287 -80.9275 -240.578 PRESSAVG: 3122800 -55.915 13.9318 -28.8063 13.9318 -8.21736 -51.5103 -28.8063 -51.5104 -16.2157 GPRESSAVG: 3122800 -55.533 12.8746 -30.7002 15.997 -8.31833 -50.0037 -29.926 -52.5842 -16.6752 TIMING: 3122800 CPU: 9757, 0.00310696/step Wall: 9757, 0.00310696/step, 1.62011 hours remaining, 233.847656 MB of memory in use. ENERGY: 3122800 4043.9601 20489.9761 14569.5890 243.7770 -203029.2825 2628.3938 0.0000 0.0000 52362.5588 -108691.0278 300.9283 -161053.5866 -108329.1450 300.1509 -194.7966 -169.0417 764085.1323 -26.7827 -26.8422 PRESSURE: 3123000 -75.7875 -284.129 169.912 -284.129 10.6559 -102.434 169.912 -102.433 144.483 GPRESSURE: 3123000 35.2442 -205.253 89.6929 -158.839 -53.8773 -87.7695 255.791 -69.0172 184.919 PRESSAVG: 3123000 -0.0640359 -16.1171 33.232 -16.1172 -23.0587 -19.4159 33.232 -19.4158 6.18374 GPRESSAVG: 3123000 0.817179 -15.2776 32.6293 -16.1251 -24.0594 -20.5536 35.8468 -18.4833 7.0736 TIMING: 3123000 CPU: 9757.62, 0.00311004/step Wall: 9757.62, 0.00311004/step, 1.62154 hours remaining, 233.847656 MB of memory in use. ENERGY: 3123000 4051.3501 20524.4021 14513.2164 262.0348 -203145.5979 2718.6831 0.0000 0.0000 52451.9757 -108623.9359 301.4422 -161075.9115 -108267.3841 300.7296 26.4504 55.4287 763172.0272 -5.6463 -5.3896 PRESSURE: 3123200 -33.1423 4.38283 137.142 4.38209 -50.6193 11.5889 137.142 11.5892 -134.967 GPRESSURE: 3123200 -34.6888 -15.5058 101.461 -0.683503 -5.76349 51.8846 222.993 -33.8647 -92.4961 PRESSAVG: 3123200 -17.9248 25.1979 76.5581 25.1979 34.871 20.9233 76.5581 20.9234 -1.49524 GPRESSAVG: 3123200 -17.434 24.4989 76.9554 23.3945 34.9726 20.6514 75.6615 19.9681 -2.6948 TIMING: 3123200 CPU: 9758.25, 0.00313159/step Wall: 9758.25, 0.00313159/step, 1.6326 hours remaining, 233.847656 MB of memory in use. ENERGY: 3123200 4055.7135 20368.7279 14533.1981 263.0937 -203030.9327 2750.9861 0.0000 0.0000 52370.1205 -108689.0929 300.9718 -161059.2134 -108326.4124 300.2992 -72.9096 -44.3161 762778.7580 5.1503 4.9479 PRESSURE: 3123400 68.1942 123.887 14.159 123.888 279.404 96.9869 14.1595 96.9859 -155.431 GPRESSURE: 3123400 53.1942 120.058 -34.7615 -45.7379 360.312 94.7714 69.3184 130.152 -116.138 PRESSAVG: 3123400 39.8447 6.13406 47.2338 6.13414 -8.333 20.2767 47.2339 20.2768 -22.5361 GPRESSAVG: 3123400 39.1012 6.96241 47.0265 5.03161 -7.8524 20.1474 47.6372 23.7671 -22.0125 TIMING: 3123400 CPU: 9758.87, 0.00311163/step Wall: 9758.87, 0.00311163/step, 1.62202 hours remaining, 233.847656 MB of memory in use. ENERGY: 3123400 3984.6698 20483.5635 14489.7380 241.7157 -203185.3654 2827.4644 0.0000 0.0000 52366.8986 -108791.3154 300.9533 -161158.2140 -108424.1815 300.7049 64.0556 99.1224 763083.3397 2.9919 3.0788 PRESSURE: 3123600 184.483 132.034 230.1 132.034 -18.5988 55.3847 230.101 55.3851 -179.152 GPRESSURE: 3123600 206.402 79.9541 197.648 108.13 35.3506 -5.66503 184.303 140.451 -171.361 PRESSAVG: 3123600 -4.35906 15.85 37.5145 15.85 -6.34108 -19.5247 37.5145 -19.5247 0.201893 GPRESSAVG: 3123600 -5.1132 17.1498 37.4757 16.7303 -6.17114 -19.8048 35.0657 -22.7099 0.641601 TIMING: 3123600 CPU: 9759.49, 0.00310328/step Wall: 9759.49, 0.00310328/step, 1.6175 hours remaining, 233.847656 MB of memory in use. ENERGY: 3123600 3968.2670 20627.3512 14497.7560 260.9170 -203030.5486 2468.8444 0.0000 0.0000 52274.2866 -108933.1264 300.4210 -161207.4130 -108567.4429 300.4386 -4.4227 23.4637 763684.5768 -3.4994 -3.5476 PRESSURE: 3123800 -111.042 -189.212 20.2576 -189.212 -65.7811 181.06 20.2575 181.06 118.14 GPRESSURE: 3123800 -97.8507 -143.295 -42.6819 -208.854 4.49041 102.512 30.8194 241.367 113.513 PRESSAVG: 3123800 3.42029 -51.2228 33.2205 -51.2228 -14.629 13.463 33.2206 13.463 0.953169 GPRESSAVG: 3123800 4.4767 -52.5389 33.8375 -49.1926 -13.7893 15.2609 33.3949 14.998 -0.415824 TIMING: 3123800 CPU: 9760.11, 0.00311533/step Wall: 9760.11, 0.00311533/step, 1.62361 hours remaining, 233.847656 MB of memory in use. ENERGY: 3123800 3940.4468 20527.8367 14588.8089 248.5126 -203452.0540 2860.4467 0.0000 0.0000 52291.5050 -108994.4974 300.5200 -161286.0024 -108636.7610 300.0539 -19.5610 6.7177 760771.6345 -3.4185 -3.2428 PRESSURE: 3124000 -118.733 152.055 46.8728 152.056 -123.578 -132.878 46.8724 -132.878 -207.858 GPRESSURE: 3124000 -59.4421 11.0461 121.026 128.895 -76.6159 -64.2988 -30.6919 -67.19 -237.32 PRESSAVG: 3124000 11.2628 -16.816 20.3275 -16.8161 -13.2192 61.7897 20.3275 61.7896 9.42729 GPRESSAVG: 3124000 10.9162 -18.4931 19.7113 -17.1346 -14.3621 63.128 19.6702 61.7269 10.8135 TIMING: 3124000 CPU: 9760.74, 0.00311759/step Wall: 9760.74, 0.00311759/step, 1.62461 hours remaining, 233.847656 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: 3124000 3992.8098 20450.8817 14530.0643 261.3863 -203389.8711 2743.4626 0.0000 0.0000 52133.2990 -109277.9674 299.6108 -161411.2664 -108900.2654 299.4876 -150.0564 -124.4593 763546.9919 2.4903 2.4559 PRESSURE: 3124200 -112.872 146.861 -13.0228 146.86 22.1432 147.054 -13.0232 147.054 353.178 GPRESSURE: 3124200 -52.5513 -21.2949 -36.7624 94.7667 -21.1009 136.517 28.8109 208.192 428.52 PRESSAVG: 3124200 -20.1959 -8.62169 27.7067 -8.62177 -0.00436768 50.8576 27.7067 50.8576 -14.2527 GPRESSAVG: 3124200 -20.5576 -7.29789 27.1828 -8.47313 0.594274 48.4557 27.9752 51.8709 -14.8782 TIMING: 3124200 CPU: 9761.36, 0.00312247/step Wall: 9761.36, 0.00312247/step, 1.62698 hours remaining, 233.847656 MB of memory in use. ENERGY: 3124200 3997.3104 20558.8960 14539.6044 227.6254 -203356.3778 2761.9032 0.0000 0.0000 52171.1581 -109099.8802 299.8284 -161271.0383 -108733.8012 299.4898 87.4830 118.2892 761815.8077 -11.4843 -11.6139 LDB: ============= START OF LOAD BALANCING ============== 9773.84 LDB: ============== END OF LOAD BALANCING =============== 9773.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9773.84 LDB: ============= START OF LOAD BALANCING ============== 9774.15 LDB: Largest compute 7007 load 0.030936 is 15.8% of average load 0.195289 LDB: Average compute 0.004359 is 2.2% of average load 0.195289 LDB: TIME 9774.16 LOAD: AVG 0.195289 MAX 0.217224 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.359 MB LDB: TIME 9774.16 LOAD: AVG 0.195289 MAX 0.217224 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.359 MB LDB: TIME 9774.16 LOAD: AVG 0.195289 MAX 0.217224 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.359 MB LDB: ============== END OF LOAD BALANCING =============== 9774.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9774.16 PRESSURE: 3124400 -366.675 57.5136 -59.9131 57.5128 87.4847 -20.0623 -59.9137 -20.062 -99.8441 GPRESSURE: 3124400 -292.069 72.8823 -94.4926 1.23486 146.562 2.65263 -104.326 -66.5113 -150.846 PRESSAVG: 3124400 21.2209 -13.0028 5.43184 -13.0029 -16.0553 44.4536 5.43175 44.4535 4.02843 GPRESSAVG: 3124400 22.1428 -10.8028 5.15024 -13.6505 -16.6742 43.9173 5.79171 43.1393 3.67442 TIMING: 3124400 CPU: 9762, 0.00316936/step Wall: 9762, 0.00316936/step, 1.65123 hours remaining, 235.449219 MB of memory in use. ENERGY: 3124400 3945.5884 20691.9608 14559.4800 267.4357 -203402.2520 2539.8093 0.0000 0.0000 52117.3196 -109280.6583 299.5190 -161397.9779 -108933.5947 299.4572 -126.3449 -98.7845 762407.7565 3.0647 3.0477 PRESSURE: 3124600 -8.95937 -83.8132 -307.01 -83.8129 48.6858 -153.753 -307.01 -153.752 -123.47 GPRESSURE: 3124600 37.958 -113.666 -268.559 -90.1993 86.2047 -150.732 -284.601 18.1495 -106.397 PRESSAVG: 3124600 17.7405 -49.5417 -37.7117 -49.5417 -45.5132 33.7339 -37.7117 33.7339 -12.1373 GPRESSAVG: 3124600 17.4363 -50.5361 -37.1322 -50.2091 -46.1511 35.4788 -37.2236 32.9187 -11.1986 TIMING: 3124600 CPU: 9762.62, 0.00312464/step Wall: 9762.62, 0.00312464/step, 1.62776 hours remaining, 235.449219 MB of memory in use. ENERGY: 3124600 3999.9907 20677.8664 14504.7708 262.8280 -203562.1929 2755.7088 0.0000 0.0000 52050.3211 -109310.7073 299.1339 -161361.0284 -108951.5373 299.7365 -27.9144 5.9221 760762.4345 -13.3033 -13.3045 PRESSURE: 3124800 -146.32 -88.4259 63.967 -88.4251 -189.867 -130.359 63.9674 -130.359 -354.788 GPRESSURE: 3124800 -116.239 18.8089 52.2318 -85.0973 -241.49 -113.225 191.676 -177.241 -249.214 PRESSAVG: 3124800 -61.8967 -32.663 8.94906 -32.6631 15.2612 -18.129 8.94902 -18.129 -15.2603 GPRESSAVG: 3124800 -62.8154 -31.7624 8.94603 -31.845 16.4192 -17.1189 8.27573 -18.0796 -15.7217 TIMING: 3124800 CPU: 9763.24, 0.00311537/step Wall: 9763.24, 0.00311537/step, 1.62276 hours remaining, 235.449219 MB of memory in use. ENERGY: 3124800 3962.7848 20625.6048 14512.2831 231.0506 -203350.7092 2478.3641 0.0000 0.0000 52148.7621 -109391.8597 299.6997 -161540.6218 -109023.0836 299.8570 -230.3250 -202.3145 761172.5019 -20.6320 -20.7059 PRESSURE: 3125000 -258.074 -115.04 -7.31174 -115.041 114.384 57.1867 -7.31124 57.1865 -323.625 GPRESSURE: 3125000 -139.883 -203.759 25.2898 -210.093 21.7882 79.4832 6.51207 -24.3544 -283.149 PRESSAVG: 3125000 51.5267 -76.3582 -48.0851 -76.3582 -57.1388 -9.59519 -48.0851 -9.59527 22.0287 GPRESSAVG: 3125000 52.5675 -78.432 -48.2478 -78.9513 -58.8051 -10.2006 -45.3753 -10.2893 21.9763 TIMING: 3125000 CPU: 9763.87, 0.00311155/step Wall: 9763.87, 0.00311155/step, 1.6206 hours remaining, 235.449219 MB of memory in use. ENERGY: 3125000 4009.4107 20578.0441 14426.7612 257.7987 -203347.8848 2599.2655 0.0000 0.0000 52065.3970 -109411.2076 299.2206 -161476.6046 -109053.5023 299.2384 -155.7716 -133.7479 761553.4391 5.4722 5.2463 PRESSURE: 3125200 220.208 -59.7655 26.0259 -59.7659 184.197 118.207 26.0266 118.207 -33.1269 GPRESSURE: 3125200 148.011 -13.572 -43.3287 -38.837 297.571 120.906 -69.0374 117.263 32.4087 PRESSAVG: 3125200 -43.1213 0.90281 22.8317 0.902791 22.1837 3.17216 22.8317 3.17213 10.9956 GPRESSAVG: 3125200 -45.011 -1.46638 24.3202 4.8612 24.3593 2.64192 17.4199 3.45418 10.7835 TIMING: 3125200 CPU: 9764.49, 0.00309997/step Wall: 9764.49, 0.00309997/step, 1.6144 hours remaining, 235.449219 MB of memory in use. ENERGY: 3125200 3922.2191 20624.5713 14407.1578 244.0005 -203221.2601 2752.7591 0.0000 0.0000 52117.9939 -109152.5584 299.5228 -161270.5523 -108794.0151 298.9910 123.7593 159.3302 761368.0924 -3.3140 -3.2894 PRESSURE: 3125400 -48.0145 -60.3234 -201.595 -60.3235 -50.9156 70.1145 -201.594 70.1148 -321.976 GPRESSURE: 3125400 45.3671 -85.0144 -277.801 -100.1 -142.18 76.7125 21.7665 59.6375 -238.74 PRESSAVG: 3125400 26.6142 -6.92456 39.727 -6.92462 -10.5302 1.35586 39.7271 1.35591 -0.0634763 GPRESSAVG: 3125400 27.1206 -2.08417 38.1178 -8.21368 -11.7241 -1.01504 42.0938 4.8506 1.32859 TIMING: 3125400 CPU: 9765.11, 0.0030993/step Wall: 9765.11, 0.0030993/step, 1.61387 hours remaining, 235.449219 MB of memory in use. ENERGY: 3125400 4011.6838 20625.9478 14355.8835 250.3263 -202785.3442 2337.2919 0.0000 0.0000 51849.2039 -109355.0070 297.9781 -161204.2109 -108989.7652 298.7267 -140.3021 -111.8510 761484.4630 5.3402 5.5750 PRESSURE: 3125600 139.73 -49.8383 52.1137 -49.8379 124.372 -122.699 52.113 -122.699 -185.323 GPRESSURE: 3125600 202.977 -66.8842 47.7337 -28.9464 88.6748 -105.495 24.8037 -70.2762 -142.899 PRESSAVG: 3125600 -20.0128 12.712 9.20763 12.7121 59.6154 -5.61666 9.2076 -5.61661 17.3766 GPRESSAVG: 3125600 -19.7778 10.8958 10.504 12.7216 60.1399 -3.35575 9.39754 -7.47012 15.8266 TIMING: 3125600 CPU: 9765.73, 0.00309846/step Wall: 9765.73, 0.00309846/step, 1.61326 hours remaining, 235.449219 MB of memory in use. ENERGY: 3125600 3971.3364 20650.7613 14413.6711 245.2037 -203153.8045 2603.4978 0.0000 0.0000 51957.5731 -109311.7611 298.6009 -161269.3342 -108955.7471 298.7419 26.2595 49.5841 761787.1361 18.9930 18.7295 PRESSURE: 3125800 15.4152 115.989 27.5985 115.988 241.996 54.8401 27.5984 54.8391 5.24978 GPRESSURE: 3125800 85.3734 38.9644 -19.6555 68.8522 250.989 144.21 37.1572 54.2803 23.5007 PRESSAVG: 3125800 -3.66186 -70.3986 12.1346 -70.3987 49.2597 9.29984 12.1346 9.2998 -14.4221 GPRESSAVG: 3125800 -4.06083 -70.8511 12.323 -69.3966 48.0267 9.16916 11.0528 9.38735 -12.8033 TIMING: 3125800 CPU: 9766.35, 0.00311694/step Wall: 9766.35, 0.00311694/step, 1.62271 hours remaining, 235.449219 MB of memory in use. ENERGY: 3125800 3948.9762 20473.3166 14489.4818 230.8451 -203583.9023 2956.8493 0.0000 0.0000 52337.5186 -109146.9148 300.7844 -161484.4334 -108776.8436 299.3288 87.5537 119.9543 760255.0926 10.3919 10.3875 PRESSURE: 3126000 73.61 19.3796 238.021 19.3799 -21.4008 152.552 238.022 152.554 273.459 GPRESSURE: 3126000 156.854 -61.5163 275.078 -13.6718 -39.4327 113.385 216.177 -19.7628 286.647 PRESSAVG: 3126000 -2.03783 -11.8461 49.0409 -11.846 -33.8896 -3.84413 49.0409 -3.84406 18.0366 GPRESSAVG: 3126000 -2.44824 -10.3556 49.0445 -13.9559 -32.5689 -4.13462 48.5425 -3.85867 17.1642 TIMING: 3126000 CPU: 9766.97, 0.00311311/step Wall: 9766.97, 0.00311311/step, 1.62055 hours remaining, 235.449219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3126000 4003.2380 20530.4578 14493.2143 228.4839 -203223.9758 2705.5778 0.0000 0.0000 52149.5748 -109113.4293 299.7043 -161263.0041 -108758.9757 299.5458 108.5560 134.6895 763205.5974 -5.9636 -5.9510 PRESSURE: 3126200 191.754 -72.4873 100.223 -72.4871 -256.073 -133.386 100.223 -133.386 -219.633 GPRESSURE: 3126200 250.584 -69.5479 24.6904 -77.0713 -251.472 -263.114 130.645 16.0058 -219.049 PRESSAVG: 3126200 -9.69655 -4.85888 67.5389 -4.85892 29.7439 15.1627 67.5389 15.1627 1.96782 GPRESSAVG: 3126200 -9.08709 -6.399 67.5022 -3.95324 29.0744 14.5958 68.8029 13.3434 1.86456 TIMING: 3126200 CPU: 9767.6, 0.00313243/step Wall: 9767.6, 0.00313243/step, 1.63043 hours remaining, 235.449219 MB of memory in use. ENERGY: 3126200 4011.9881 20626.6093 14477.1305 239.9628 -203148.6203 2455.7757 0.0000 0.0000 52157.2980 -109179.8557 299.7487 -161337.1538 -108815.4501 299.2439 -94.6504 -73.3122 762265.8808 7.3384 7.2840 PRESSURE: 3126400 -61.615 41.4834 -163.048 41.483 218.677 -138.514 -163.048 -138.514 151.189 GPRESSURE: 3126400 52.9474 40.0981 -153.262 154.63 208.194 -161.067 -178.813 -83.5093 131.483 PRESSAVG: 3126400 -53.2319 17.158 -26.5839 17.1581 55.5429 -36.9675 -26.584 -36.9676 6.01324 GPRESSAVG: 3126400 -52.106 18.0475 -26.548 16.3184 54.6526 -36.8489 -27.0971 -34.4319 5.48092 TIMING: 3126400 CPU: 9768.22, 0.00312848/step Wall: 9768.22, 0.00312848/step, 1.6282 hours remaining, 235.449219 MB of memory in use. ENERGY: 3126400 3972.8106 20501.6341 14360.9771 261.6525 -202897.5650 2674.5376 0.0000 0.0000 52041.9195 -109084.0335 299.0856 -161125.9530 -108719.8416 299.0531 102.7505 130.8748 763425.8687 2.7747 2.6758 PRESSURE: 3126600 57.1201 235.892 -186.485 235.892 -90.5206 308.602 -186.486 308.602 -414.865 GPRESSURE: 3126600 69.8849 214.592 -251.69 212.416 -39.4523 254.67 -160.199 123.48 -357.104 PRESSAVG: 3126600 33.4104 36.4242 26.6363 36.4241 2.58219 36.9117 26.6363 36.9116 -6.46585 GPRESSAVG: 3126600 31.9116 35.4004 25.2077 38.6603 3.24053 36.635 27.3136 35.9032 -5.49817 TIMING: 3126600 CPU: 9768.86, 0.00315563/step Wall: 9768.86, 0.00315563/step, 1.64215 hours remaining, 235.449219 MB of memory in use. ENERGY: 3126600 4067.4919 20550.0311 14493.5233 247.0694 -203075.9222 2647.2383 0.0000 0.0000 52112.1073 -108958.4609 299.4890 -161070.5682 -108602.2320 299.5779 -149.4218 -108.8904 763964.7204 9.8422 9.8847 PRESSURE: 3126800 -6.11437 109.864 6.07656 109.865 -23.3698 45.949 6.07506 45.9484 75.062 GPRESSURE: 3126800 -79.6705 108.097 17.4579 68.6616 43.1987 106.92 33.5903 220.523 157.346 PRESSAVG: 3126800 40.7483 -43.0333 -31.8435 -43.0333 1.05252 74.6124 -31.8436 74.6123 9.46251 GPRESSAVG: 3126800 40.5185 -41.2422 -31.6224 -45.7489 2.23647 74.0803 -31.2899 73.8095 8.60169 TIMING: 3126800 CPU: 9769.48, 0.00314189/step Wall: 9769.48, 0.00314189/step, 1.63483 hours remaining, 235.449219 MB of memory in use. ENERGY: 3126800 4049.0778 20559.7549 14413.3949 246.8221 -203064.9255 2529.3971 0.0000 0.0000 52109.0403 -109157.4385 299.4714 -161266.4788 -108798.4284 299.6464 15.1926 40.2913 762445.7521 17.0878 17.1189 PRESSURE: 3127000 -200.813 0.198113 106.575 0.198417 19.8315 -171.009 106.574 -171.009 -371.43 GPRESSURE: 3127000 -166.294 -52.4776 186.403 -37.4587 60.5193 -163.951 164.216 -72.5393 -341.845 PRESSAVG: 3127000 -28.2939 2.47819 26.8907 2.47819 42.0401 70.9209 26.8907 70.9209 7.20582 GPRESSAVG: 3127000 -28.6802 0.940205 27.074 2.87577 41.8822 71.3947 26.3966 72.5522 7.64419 TIMING: 3127000 CPU: 9770.11, 0.00312508/step Wall: 9770.11, 0.00312508/step, 1.62591 hours remaining, 235.449219 MB of memory in use. ENERGY: 3127000 4069.8156 20426.1245 14490.1272 238.5574 -202987.1429 2719.8412 0.0000 0.0000 52253.1679 -108789.5091 300.2997 -161042.6769 -108429.5116 299.5529 -184.1372 -149.2068 763850.2752 6.9840 6.9487 PRESSURE: 3127200 -124.545 -13.7357 43.0688 -13.736 -56.8937 158.255 43.0679 158.255 -93.8201 GPRESSURE: 3127200 -95.934 12.2321 89.1161 90.1316 3.95902 230.367 59.55 79.5922 -121.622 PRESSAVG: 3127200 -6.21256 36.394 20.572 36.394 28.0112 38.359 20.5719 38.359 4.21559 GPRESSAVG: 3127200 -7.22517 37.8845 21.1399 37.4752 28.9674 40.0608 20.709 35.5937 4.12984 TIMING: 3127200 CPU: 9770.73, 0.00311997/step Wall: 9770.73, 0.00311997/step, 1.62308 hours remaining, 235.449219 MB of memory in use. ENERGY: 3127200 4032.3675 20506.1494 14553.7863 232.0909 -203093.0541 2594.1848 0.0000 0.0000 52087.5940 -109086.8812 299.3481 -161174.4752 -108735.4920 299.8550 -91.7529 -71.1990 762680.6341 8.6714 8.6240 PRESSURE: 3127400 343.779 8.55825 27.5788 8.55774 292.56 261.212 27.5792 261.211 -132.598 GPRESSURE: 3127400 263.577 -86.9978 139.249 37.203 389.55 194.424 -42.6206 256.805 -75.7342 PRESSAVG: 3127400 1.73567 25.3316 5.14738 25.3317 45.1482 61.5736 5.1474 61.5737 4.04673 GPRESSAVG: 3127400 3.46346 24.1436 4.04625 23.8818 44.0942 59.3911 7.15875 64.6529 3.47219 TIMING: 3127400 CPU: 9771.36, 0.00312252/step Wall: 9771.36, 0.00312252/step, 1.62423 hours remaining, 235.449219 MB of memory in use. ENERGY: 3127400 3891.1374 20659.9792 14469.8038 239.9323 -203783.5773 3024.2687 0.0000 0.0000 52345.7620 -109152.6939 300.8318 -161498.4559 -108787.3697 299.5025 167.9139 192.4640 762003.5874 16.9769 17.0099 PRESSURE: 3127600 -232.504 -444.7 -240.515 -444.7 -2.87459 167.18 -240.517 167.181 185.384 GPRESSURE: 3127600 -196.2 -443.152 -150.126 -361.426 69.7382 82.4031 -264.95 72.9995 182.295 PRESSAVG: 3127600 -36.5286 28.3223 -15.8072 28.3223 30.2956 -18.8567 -15.8072 -18.8566 -8.28097 GPRESSAVG: 3127600 -37.2307 29.7212 -16.1139 28.0741 31.3416 -18.3514 -16.6754 -20.8501 -8.828 TIMING: 3127600 CPU: 9771.98, 0.00311942/step Wall: 9771.98, 0.00311942/step, 1.62245 hours remaining, 235.449219 MB of memory in use. ENERGY: 3127600 4023.0832 20578.2483 14525.3083 249.7157 -203340.8906 2862.3223 0.0000 0.0000 51892.4572 -109209.7556 298.2267 -161102.2129 -108854.7998 298.9723 -16.6650 18.6110 763869.3736 -4.8380 -4.9057 PRESSURE: 3127800 155.473 -34.1328 -36.9351 -34.1322 374.105 238.048 -36.9348 238.048 230.322 GPRESSURE: 3127800 153.223 -4.78778 -76.9217 77.0589 427.254 145.935 -76.2827 273.21 265.311 PRESSAVG: 3127800 -31.0689 53.4306 2.14971 53.4306 9.13041 24.9189 2.1497 24.9189 13.2817 GPRESSAVG: 3127800 -29.5135 51.9775 3.4562 52.6287 8.85377 24.83 1.36787 23.316 11.906 TIMING: 3127800 CPU: 9772.61, 0.00312779/step Wall: 9772.61, 0.00312779/step, 1.62662 hours remaining, 235.449219 MB of memory in use. ENERGY: 3127800 3968.8128 20617.6867 14481.7322 263.7294 -203368.3700 2900.7150 0.0000 0.0000 52031.7762 -109103.9177 299.0273 -161135.6940 -108740.9764 298.9363 253.2999 281.9295 763378.4976 -2.8856 -2.9179 PRESSURE: 3128000 -244.555 -147.925 -62.0355 -147.925 -35.446 -36.1501 -62.0356 -36.1498 410.933 GPRESSURE: 3128000 -200.846 -168.941 -18.8808 -94.0984 41.7656 -52.5953 27.6691 3.82706 367.681 PRESSAVG: 3128000 -65.6106 40.3979 -18.2679 40.3978 86.9716 32.3404 -18.268 32.3405 2.1051 GPRESSAVG: 3128000 -66.3376 42.8418 -19.8605 42.0174 85.637 33.7686 -16.7125 33.9923 4.04871 TIMING: 3128000 CPU: 9773.23, 0.00312583/step Wall: 9773.23, 0.00312583/step, 1.62543 hours remaining, 235.449219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3128000 3956.2700 20652.1528 14514.9112 263.4667 -203120.2481 2550.4927 0.0000 0.0000 52088.0078 -109094.9469 299.3505 -161182.9546 -108729.1016 299.7945 43.6438 69.5336 761490.1461 7.8220 7.7827 PRESSURE: 3128200 -156.278 -106.92 -93.6646 -106.92 -295.587 152.897 -93.6643 152.898 17.9783 GPRESSURE: 3128200 -197.208 -2.77623 -18.7703 -130.9 -245.642 152.133 -54.4913 277.959 93.3332 PRESSAVG: 3128200 -6.72884 28.5418 -15.8564 28.5418 47.1229 42.7636 -15.8564 42.7635 -6.06219 GPRESSAVG: 3128200 -7.11482 26.8806 -13.2352 29.8407 46.769 41.6132 -17.5274 41.8488 -5.62528 TIMING: 3128200 CPU: 9773.86, 0.0031138/step Wall: 9773.86, 0.00311381/step, 1.61901 hours remaining, 235.449219 MB of memory in use. ENERGY: 3128200 3950.1952 20450.1381 14463.0714 247.8689 -202970.3072 2528.8815 0.0000 0.0000 52134.2759 -109195.8761 299.6164 -161330.1520 -108838.8784 299.7062 -144.6287 -116.5056 762923.6508 11.4440 11.3430 LDB: ============= START OF LOAD BALANCING ============== 9786.34 LDB: ============== END OF LOAD BALANCING =============== 9786.34 LDB: =============== DONE WITH MIGRATION ================ 9786.34 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 9786.65 LDB: Largest compute 7007 load 0.030100 is 15.4% of average load 0.195264 LDB: Average compute 0.004370 is 2.2% of average load 0.195264 LDB: TIME 9786.65 LOAD: AVG 0.195264 MAX 0.215339 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.766 MB LDB: TIME 9786.65 LOAD: AVG 0.195264 MAX 0.215339 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.766 MB LDB: TIME 9786.65 LOAD: AVG 0.195264 MAX 0.215339 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.766 MB LDB: ============== END OF LOAD BALANCING =============== 9786.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9786.66 PRESSURE: 3128400 86.8856 87.0678 -153.364 87.0685 75.102 44.8094 -153.364 44.8085 261.717 GPRESSURE: 3128400 63.1781 82.9919 -133.049 163.648 190.013 65.7733 -121.716 134.612 246.727 PRESSAVG: 3128400 -19.6742 40.6433 34.987 40.6434 26.5832 -18.405 34.987 -18.405 2.76296 GPRESSAVG: 3128400 -19.4696 40.3819 32.6867 38.4148 27.645 -17.8197 36.7328 -16.317 1.79393 TIMING: 3128400 CPU: 9774.5, 0.0032019/step Wall: 9774.5, 0.0032019/step, 1.66463 hours remaining, 234.097656 MB of memory in use. ENERGY: 3128400 3932.9546 20576.2177 14472.7628 235.6711 -203225.8059 2744.4242 0.0000 0.0000 51730.3882 -109533.3873 297.2953 -161263.7755 -109171.6311 299.1121 141.2348 166.6392 762845.9523 3.2240 3.3231 PRESSURE: 3128600 -187.176 -43.0295 77.9206 -43.0304 -141.651 121.638 77.9202 121.638 -567.967 GPRESSURE: 3128600 -169.888 3.67989 83.6157 21.0633 -58.1956 64.1327 206.92 113.142 -572.081 PRESSAVG: 3128600 -29.5827 27.4385 -14.0103 27.4384 31.7305 33.7951 -14.0103 33.7951 -28.0874 GPRESSAVG: 3128600 -28.8146 28.8913 -12.865 28.4868 32.0128 33.2821 -13.3296 32.8502 -28.9048 TIMING: 3128600 CPU: 9775.12, 0.00313783/step Wall: 9775.12, 0.00313783/step, 1.63115 hours remaining, 234.097656 MB of memory in use. ENERGY: 3128600 4035.3611 20494.7330 14563.5539 249.1184 -203268.0683 2697.2180 0.0000 0.0000 51792.3655 -109435.7184 297.6514 -161228.0838 -109074.1915 298.5930 -298.9313 -266.7215 761771.1113 -8.6465 -8.5689 PRESSURE: 3128800 92.9801 328.142 -148.216 328.141 -299.741 1.09495 -148.217 1.09487 52.4403 GPRESSURE: 3128800 23.986 259.587 -167.536 371.781 -184.372 83.9304 -254.377 20.1036 89.8672 PRESSAVG: 3128800 -71.5486 -28.3462 36.059 -28.3462 52.0579 8.09897 36.059 8.09904 -18.5277 GPRESSAVG: 3128800 -73.6962 -29.0814 36.2331 -28.4893 51.8512 8.92727 35.0814 7.27776 -16.4082 TIMING: 3128800 CPU: 9775.75, 0.00313411/step Wall: 9775.75, 0.00313411/step, 1.62904 hours remaining, 234.097656 MB of memory in use. ENERGY: 3128800 4027.6909 20548.9268 14527.8102 261.5764 -202968.3494 2404.0853 0.0000 0.0000 51829.8132 -109368.4465 297.8666 -161198.2597 -109018.7163 298.9818 -51.4402 -23.5063 762188.1437 -12.6728 -12.7511 PRESSURE: 3129000 -117.931 -46.2699 168.832 -46.2697 61.6135 -111.889 168.831 -111.888 -26.0064 GPRESSURE: 3129000 -9.25841 -147.216 43.2059 -57.6254 48.6323 -141.164 318.081 -74.6551 -46.3539 PRESSAVG: 3129000 -27.7274 -30.8358 3.15946 -30.8357 -8.94621 -20.9141 3.15944 -20.9141 2.67086 GPRESSAVG: 3129000 -26.909 -30.6697 0.936065 -29.129 -9.48064 -22.5827 4.08092 -20.8292 2.73413 TIMING: 3129000 CPU: 9776.38, 0.00315401/step Wall: 9776.38, 0.00315401/step, 1.63921 hours remaining, 234.097656 MB of memory in use. ENERGY: 3129000 4155.1674 20435.3384 14485.5984 256.0603 -203171.9489 2731.4594 0.0000 0.0000 51716.1607 -109392.1642 297.2135 -161108.3249 -109039.0711 298.9127 -27.4412 -2.3266 764316.5310 -11.3343 -11.2185 PRESSURE: 3129200 248.064 -79.6931 -195.357 -79.6927 380.414 -171.497 -195.358 -171.496 -263.993 GPRESSURE: 3129200 188.25 -183.093 -112.013 -101.358 448.898 -150.65 -134.164 -133.859 -183.644 PRESSAVG: 3129200 -66.1229 33.2562 -14.2172 33.2562 83.7793 -21.3167 -14.2172 -21.3167 2.33678 GPRESSAVG: 3129200 -66.2359 33.2588 -14.5804 31.5136 85.4531 -20.9904 -14.3997 -21.7743 0.997388 TIMING: 3129200 CPU: 9777.01, 0.00315019/step Wall: 9777.01, 0.00315019/step, 1.63705 hours remaining, 234.097656 MB of memory in use. ENERGY: 3129200 4002.5210 20396.1869 14458.1832 255.7192 -202992.9681 2674.9173 0.0000 0.0000 51902.0310 -109303.4095 298.2817 -161205.4405 -108950.4655 298.4494 121.4952 151.1681 762290.0508 6.6644 6.7382 PRESSURE: 3129400 -349.275 318.222 -21.7632 318.222 283.557 84.6363 -21.763 84.6373 -90.0687 GPRESSURE: 3129400 -202.801 276.807 -44.8826 358.329 211.513 45.6948 -48.3138 197.312 -90.3483 PRESSAVG: 3129400 25.5767 13.1362 13.7762 13.1362 60.107 23.4077 13.7761 23.4076 -6.98477 GPRESSAVG: 3129400 26.0676 12.7079 14.9351 13.3221 58.9859 24.5238 16.8073 23.626 -6.31643 TIMING: 3129400 CPU: 9777.64, 0.00313613/step Wall: 9777.64, 0.00313613/step, 1.62957 hours remaining, 234.097656 MB of memory in use. ENERGY: 3129400 3901.1660 20264.8263 14414.3798 231.8543 -202763.7422 2374.2113 0.0000 0.0000 52264.2546 -109313.0498 300.3634 -161577.3045 -108939.9511 298.6355 -51.9287 -27.2121 761224.6789 26.2330 26.2457 PRESSURE: 3129600 73.7864 94.7484 94.8399 94.748 11.7131 60.6778 94.8409 60.678 -140.846 GPRESSURE: 3129600 144.2 143.225 39.6253 145.895 44.263 -14.0264 59.2777 158.23 -140.05 PRESSAVG: 3129600 -42.1657 59.5498 64.6416 59.5497 8.29312 17.4291 64.6416 17.429 9.28311 GPRESSAVG: 3129600 -40.515 58.8954 63.8033 59.8229 7.0909 16.5497 62.8206 18.3015 9.14536 TIMING: 3129600 CPU: 9778.26, 0.00313547/step Wall: 9778.26, 0.00313547/step, 1.62905 hours remaining, 234.097656 MB of memory in use. ENERGY: 3129600 3870.9521 20530.6122 14414.1281 239.8098 -203261.0419 2654.3747 0.0000 0.0000 52210.2776 -109340.8874 300.0532 -161551.1650 -108986.7602 298.8754 -18.4487 16.1378 762679.8800 -8.1965 -8.0929 PRESSURE: 3129800 -51.0092 83.6528 -107.111 83.6535 -336.062 21.1468 -107.111 21.1476 332.762 GPRESSURE: 3129800 18.4137 -40.7972 16.722 37.108 -342.706 -18.1767 -145.383 8.25109 363.344 PRESSAVG: 3129800 -24.8455 -2.26608 6.72597 -2.26598 55.6934 -0.108974 6.72598 -0.108984 -0.623146 GPRESSAVG: 3129800 -26.561 0.727411 7.48349 -2.09461 57.4958 1.99949 5.81206 -1.41634 -0.475504 TIMING: 3129800 CPU: 9778.89, 0.00314075/step Wall: 9778.89, 0.00314075/step, 1.63162 hours remaining, 234.097656 MB of memory in use. ENERGY: 3129800 4023.3766 20385.1819 14421.4530 268.9024 -202642.0370 2555.2587 0.0000 0.0000 51873.5558 -109114.3086 298.1180 -160987.8644 -108754.6629 299.2320 -18.1030 13.0174 761848.2950 10.0749 10.1531 PRESSURE: 3130000 -5.15267 9.18716 -13.7771 9.187 -226.971 71.043 -13.7775 71.0421 -224.471 GPRESSURE: 3130000 -2.85132 -4.25674 24.9213 -11.3111 -129.749 108.313 18.816 153.625 -236.652 PRESSAVG: 3130000 17.0221 2.60839 -17.9706 2.60842 5.32014 -27.1409 -17.9706 -27.1409 2.92089 GPRESSAVG: 3130000 16.78 1.72193 -17.3471 0.707563 5.15821 -30.4527 -18.5061 -24.9075 3.12752 TIMING: 3130000 CPU: 9779.52, 0.00312735/step Wall: 9779.52, 0.00312735/step, 1.62449 hours remaining, 234.097656 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: 3130000 3973.3863 20300.4074 14429.5802 233.2928 -202999.8187 2851.1144 0.0000 0.0000 52105.0219 -109107.0157 299.4483 -161212.0375 -108746.7321 299.2236 -152.1982 -123.0842 762167.0433 8.4211 8.3552 PRESSURE: 3130200 141.895 194.925 -123.824 194.924 219.136 -179.867 -123.824 -179.867 275.545 GPRESSURE: 3130200 236.896 169.762 -103.583 145.476 236.319 -201.858 -103.258 -106.554 270.224 PRESSAVG: 3130200 -28.4954 -10.5028 10.3373 -10.5028 38.4812 -53.7054 10.3373 -53.7054 18.9535 GPRESSAVG: 3130200 -27.0287 -9.91343 9.33125 -9.99915 37.5018 -53.5871 11.7181 -53.7526 19.3418 TIMING: 3130200 CPU: 9780.14, 0.00311522/step Wall: 9780.14, 0.00311522/step, 1.61801 hours remaining, 234.097656 MB of memory in use. ENERGY: 3130200 3879.4400 20409.9136 14457.3192 256.1045 -203467.8904 3159.2986 0.0000 0.0000 52406.2748 -108899.5396 301.1796 -161305.8144 -108532.1656 299.5334 212.1919 247.8128 761059.8128 9.6464 9.9383 PRESSURE: 3130400 81.0199 46.6333 -60.9701 46.6328 -222.148 48.945 -60.9711 48.9454 -192.67 GPRESSURE: 3130400 167.352 54.7609 -8.95151 -29.0211 -159.941 -10.5734 -44.3752 -7.13683 -253.236 PRESSAVG: 3130400 -43.3338 9.8944 -28.9971 9.89443 42.1464 30.405 -28.9971 30.4051 -31.9535 GPRESSAVG: 3130400 -44.3922 7.86828 -27.3545 12.3502 43.0859 30.6082 -31.0487 31.1055 -32.3216 TIMING: 3130400 CPU: 9780.77, 0.0031185/step Wall: 9780.77, 0.0031185/step, 1.61954 hours remaining, 234.097656 MB of memory in use. ENERGY: 3130400 3945.6699 20484.8479 14505.8120 256.5066 -202867.0067 2650.9524 0.0000 0.0000 52104.9119 -108918.3061 299.4476 -161023.2179 -108565.5404 299.2951 -111.2662 -81.9417 762047.2070 -11.0470 -11.2093 PRESSURE: 3130600 -122.303 154.02 152.97 154.021 171.192 113.288 152.972 113.288 -275.98 GPRESSURE: 3130600 -60.5312 239.594 162.017 101.775 164.257 80.216 141.518 120.063 -240.694 PRESSAVG: 3130600 -23.7779 47.1614 3.35446 47.1614 19.0673 38.5299 3.35447 38.5298 -8.32288 GPRESSAVG: 3130600 -22.7234 45.0628 1.46505 45.6577 18.6705 37.3591 4.30928 35.4736 -8.9395 TIMING: 3130600 CPU: 9781.39, 0.00311141/step Wall: 9781.39, 0.00311141/step, 1.61569 hours remaining, 234.097656 MB of memory in use. ENERGY: 3130600 3955.0785 20609.6731 14488.4135 239.5940 -202777.8987 2452.5769 0.0000 0.0000 52025.5019 -109007.0608 298.9913 -161032.5628 -108651.4572 299.2776 -75.6972 -45.6561 761601.9957 -4.3445 -4.3308 PRESSURE: 3130800 -273.855 -48.1819 83.1838 -48.1814 -338.175 18.5411 83.1836 18.5411 -207.715 GPRESSURE: 3130800 -267.473 -85.0051 73.9874 4.09666 -307.176 -48.1873 74.858 12.029 -157.661 PRESSAVG: 3130800 -53.1751 -6.66758 9.09647 -6.6676 -3.07455 26.3604 9.09643 26.3604 28.122 GPRESSAVG: 3130800 -53.3462 -4.24072 10.2114 -7.62271 -4.28079 28.7665 8.76023 27.1662 28.7877 TIMING: 3130800 CPU: 9782.01, 0.00311329/step Wall: 9782.01, 0.00311329/step, 1.61649 hours remaining, 234.097656 MB of memory in use. ENERGY: 3130800 3906.4454 20510.6946 14372.9139 252.4012 -202713.9116 2445.7295 0.0000 0.0000 52072.3580 -109153.3691 299.2606 -161225.7270 -108796.9928 299.0906 -273.2485 -244.1035 762775.0221 -9.3759 -9.6131 PRESSURE: 3131000 -192.907 -175.25 -121.057 -175.251 -110.769 142.878 -121.056 142.878 393.022 GPRESSURE: 3131000 -196.01 -11.4337 -102.639 -155.388 -27.9109 174.371 -52.5948 20.0513 385.2 PRESSAVG: 3131000 -10.2495 6.09745 14.6375 6.09744 27.5333 -6.54983 14.6375 -6.54984 -7.71965 GPRESSAVG: 3131000 -10.9377 7.20914 15.61 7.8115 28.8225 -8.42392 14.7032 -5.03492 -8.22533 TIMING: 3131000 CPU: 9782.64, 0.0031327/step Wall: 9782.64, 0.0031327/step, 1.62639 hours remaining, 234.097656 MB of memory in use. ENERGY: 3131000 3930.0661 20417.0733 14398.0987 254.4474 -202976.6988 2710.4432 0.0000 0.0000 51916.0227 -109350.5474 298.3621 -161266.5700 -108992.8859 298.5046 29.7822 53.7599 762343.9693 3.1881 3.2198 PRESSURE: 3131200 311.848 102.216 5.14552 102.217 238.504 -33.2638 5.14496 -33.2635 360.572 GPRESSURE: 3131200 299.235 40.7422 6.65592 139.576 327.156 -149.343 71.1395 -27.2819 374.861 PRESSAVG: 3131200 -10.667 -44.9342 21.8511 -44.9343 15.4379 -7.02056 21.8511 -7.02053 21.7302 GPRESSAVG: 3131200 -10.5783 -45.6723 19.2957 -46.2478 14.5028 -7.23398 21.3332 -9.52406 22.8801 TIMING: 3131200 CPU: 9783.26, 0.00312223/step Wall: 9783.26, 0.00312223/step, 1.62078 hours remaining, 234.097656 MB of memory in use. ENERGY: 3131200 4014.7759 20372.2181 14432.9072 227.9813 -203200.7596 2770.4997 0.0000 0.0000 52168.1815 -109214.1959 299.8113 -161382.3773 -108861.0727 299.0663 303.6413 333.7505 762317.6674 8.8337 8.9348 PRESSURE: 3131400 -288.464 186.991 -5.22082 186.991 -476.424 64.1927 -5.22122 64.194 274.33 GPRESSURE: 3131400 -198.955 60.8428 13.2481 136.992 -414.71 84.719 -76.4669 27.725 193.242 PRESSAVG: 3131400 -37.0814 8.51838 56.9154 8.51838 34.0722 3.59949 56.9154 3.59952 2.3215 GPRESSAVG: 3131400 -37.1674 6.87593 58.3777 7.09556 35.5003 5.35267 58.3214 3.24387 0.167539 TIMING: 3131400 CPU: 9783.89, 0.00313717/step Wall: 9783.89, 0.00313717/step, 1.62836 hours remaining, 234.097656 MB of memory in use. ENERGY: 3131400 3945.6260 20426.4180 14418.2677 258.5461 -203140.8980 2477.1541 0.0000 0.0000 52227.6009 -109387.2850 300.1527 -161614.8859 -109015.5989 299.0988 -163.5192 -140.1408 764318.6994 -0.2292 -0.4999 PRESSURE: 3131600 61.3252 77.9453 -65.0766 77.9447 51.3511 -46.4896 -65.0774 -46.4888 -290.502 GPRESSURE: 3131600 80.0186 215.104 -114.022 -29.1875 110.071 62.5836 -134.998 -69.0832 -284.047 PRESSAVG: 3131600 -35.1512 31.3149 8.75406 31.3149 34.0977 -48.3481 8.75407 -48.3481 -6.13916 GPRESSAVG: 3131600 -34.6043 32.4083 8.48342 32.4327 33.8535 -49.4212 7.4065 -47.5757 -5.50605 TIMING: 3131600 CPU: 9784.52, 0.00313638/step Wall: 9784.52, 0.00313638/step, 1.62778 hours remaining, 234.097656 MB of memory in use. ENERGY: 3131600 3929.4085 20503.3194 14531.0367 264.2171 -203442.7237 2860.5070 0.0000 0.0000 51911.0210 -109443.2140 298.3334 -161354.2350 -109078.3816 298.1340 -59.2754 -31.3192 762196.0589 -2.3976 -2.0856 PRESSURE: 3131800 -175.963 -53.9094 89.1125 -53.9098 -234.505 25.746 89.1133 25.7463 -47.8988 GPRESSURE: 3131800 -109.854 -178.87 68.7244 18.1064 -227.09 12.4696 36.4125 -26.1885 -44.4672 PRESSAVG: 3131800 15.9537 -17.5729 48.4518 -17.5729 16.6006 23.7434 48.4518 23.7434 0.0910867 GPRESSAVG: 3131800 16.8448 -18.8342 47.571 -15.4205 15.8827 24.2853 51.1945 24.4881 0.0779683 TIMING: 3131800 CPU: 9785.14, 0.00313561/step Wall: 9785.14, 0.00313561/step, 1.62721 hours remaining, 234.097656 MB of memory in use. ENERGY: 3131800 3905.5280 20562.9206 14513.8715 256.1540 -203439.2882 2688.6903 0.0000 0.0000 51978.5356 -109533.5882 298.7214 -161512.1238 -109164.2684 298.1277 -152.7888 -127.1370 762683.0340 10.8818 10.9351 PRESSURE: 3132000 -217.729 -77.8802 82.7951 -77.8803 -453.81 147.331 82.7954 147.331 -234.515 GPRESSURE: 3132000 -158.029 -100.354 69.6832 16.4855 -435.576 116.881 169.837 91.051 -233.386 PRESSAVG: 3132000 -30.7588 17.574 50.5077 17.5739 50.8603 33.4748 50.5077 33.4748 14.2718 GPRESSAVG: 3132000 -31.6681 19.4192 52.5881 16.3824 51.638 33.6785 49.0401 33.0797 14.507 TIMING: 3132000 CPU: 9785.77, 0.00313765/step Wall: 9785.77, 0.00313765/step, 1.62809 hours remaining, 234.097656 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: 3132000 3996.8478 20518.5060 14388.4373 246.3130 -203225.6761 2657.3485 0.0000 0.0000 51882.6404 -109535.5830 298.1702 -161418.2234 -109168.2693 298.6423 -302.0182 -275.6637 763271.7802 11.4578 11.4923 PRESSURE: 3132200 -36.1994 357.316 120.824 357.316 153.629 36.1702 120.824 36.1712 -327.572 GPRESSURE: 3132200 37.1914 276.73 97.2602 328.682 97.8132 68.6996 70.6292 0.44046 -246.309 PRESSAVG: 3132200 -13.0339 60.7215 13.2091 60.7216 -10.6122 -26.1785 13.2091 -26.1786 15.9016 GPRESSAVG: 3132200 -12.3802 59.3062 11.9058 60.8555 -10.4793 -24.1611 11.4782 -28.3265 15.4473 TIMING: 3132200 CPU: 9786.4, 0.00312891/step Wall: 9786.4, 0.00312891/step, 1.62338 hours remaining, 234.097656 MB of memory in use. ENERGY: 3132200 4017.8150 20553.6098 14464.3796 246.3968 -203122.6787 2656.4575 0.0000 0.0000 51775.2351 -109408.7848 297.5530 -161184.0200 -109056.9271 298.7471 -70.0476 -37.1015 761509.8977 -2.5815 -2.4707 LDB: ============= START OF LOAD BALANCING ============== 9798.88 LDB: ============== END OF LOAD BALANCING =============== 9798.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9798.88 LDB: ============= START OF LOAD BALANCING ============== 9799.2 LDB: Largest compute 7007 load 0.030053 is 15.4% of average load 0.195220 LDB: Average compute 0.004357 is 2.2% of average load 0.195220 LDB: TIME 9799.2 LOAD: AVG 0.19522 MAX 0.214996 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.395 MB LDB: TIME 9799.2 LOAD: AVG 0.19522 MAX 0.214996 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.398 MB LDB: TIME 9799.2 LOAD: AVG 0.19522 MAX 0.214996 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.398 MB LDB: ============== END OF LOAD BALANCING =============== 9799.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9799.21 PRESSURE: 3132400 131.727 162.471 237.43 162.471 -81.3601 124.173 237.43 124.175 -250.383 GPRESSURE: 3132400 144.21 266.158 351.97 139.754 -38.0883 228.726 218.499 25.2884 -218.497 PRESSAVG: 3132400 -37.3308 30.7334 52.6289 30.7334 -3.07505 -14.7736 52.6289 -14.7736 2.37837 GPRESSAVG: 3132400 -37.3128 30.1307 53.2887 32.2372 -4.24762 -15.5606 51.3167 -13.5564 3.19066 TIMING: 3132400 CPU: 9787.04, 0.00321833/step Wall: 9787.04, 0.00321833/step, 1.6696 hours remaining, 234.253906 MB of memory in use. ENERGY: 3132400 3994.4726 20615.2285 14485.1134 236.6570 -202990.4242 2322.4286 0.0000 0.0000 51973.6699 -109362.8542 298.6934 -161336.5241 -109009.3262 298.4571 -66.6720 -37.4582 761368.3592 -12.6758 -12.7899 PRESSURE: 3132600 -30.8575 103.841 33.09 103.841 36.8799 133.467 33.0897 133.466 -110.268 GPRESSURE: 3132600 -21.8192 86.1486 53.5344 139.982 92.3604 84.5296 96.9583 116.361 -76.1895 PRESSAVG: 3132600 16.5497 56.8975 45.8901 56.8975 2.24576 20.8915 45.8902 20.8915 -8.03271 GPRESSAVG: 3132600 15.9326 58.7515 46.2047 55.4127 3.01649 20.1221 47.8617 21.9226 -8.50552 TIMING: 3132600 CPU: 9787.67, 0.00313775/step Wall: 9787.67, 0.00313775/step, 1.62762 hours remaining, 234.253906 MB of memory in use. ENERGY: 3132600 3909.8126 20409.8315 14439.6389 255.6870 -203132.5633 2570.1139 0.0000 0.0000 51991.7076 -109555.7719 298.7971 -161547.4795 -109192.9917 298.6438 -34.7485 -1.8828 760900.7374 3.5876 3.4812 PRESSURE: 3132800 -474.96 -176.406 141.349 -176.405 -204.335 -12.5624 141.349 -12.5628 -294.044 GPRESSURE: 3132800 -357.628 -183.594 90.2304 -190.149 -249.983 80.5591 21.7669 -103.28 -259.025 PRESSAVG: 3132800 -14.8401 -58.9482 10.8589 -58.9482 33.2165 -13.5409 10.859 -13.5409 1.58629 GPRESSAVG: 3132800 -13.8938 -60.5063 8.36082 -58.7056 32.2668 -12.0755 11.7789 -15.0395 2.36403 TIMING: 3132800 CPU: 9788.29, 0.00311971/step Wall: 9788.29, 0.00311971/step, 1.61809 hours remaining, 234.253906 MB of memory in use. ENERGY: 3132800 4066.7073 20569.0594 14429.2948 250.6555 -203174.0349 2528.0569 0.0000 0.0000 51634.6831 -109695.5778 296.7452 -161330.2610 -109337.8897 298.1499 -324.4463 -288.8790 761914.3053 6.6542 6.9123 PRESSURE: 3133000 247.77 50.9996 65.1219 50.9993 -128.704 43.1271 65.1231 43.1272 -190.804 GPRESSURE: 3133000 176.476 36.3007 114.629 -25.9396 45.0462 74.8902 38.9987 44.2046 -175.944 PRESSAVG: 3133000 23.6866 -7.09358 24.541 -7.09359 7.3145 -13.4405 24.5409 -13.4405 -0.00761682 GPRESSAVG: 3133000 24.3203 -7.00323 25.2642 -7.47167 8.57144 -14.1127 23.8362 -12.7611 -1.78759 TIMING: 3133000 CPU: 9788.92, 0.00313488/step Wall: 9788.92, 0.00313488/step, 1.62578 hours remaining, 234.253906 MB of memory in use. ENERGY: 3133000 4035.8893 20423.0993 14458.5163 242.2678 -203730.0746 3053.8246 0.0000 0.0000 51985.1594 -109531.3178 298.7594 -161516.4772 -109171.1581 298.7392 -23.9125 15.1927 762452.8925 10.3312 10.3680 PRESSURE: 3133200 -45.2113 296.666 134.745 296.666 -240.303 -7.77296 134.745 -7.77301 -412.534 GPRESSURE: 3133200 -12.4462 296.722 94.175 263.725 -196.645 -39.453 239.031 -124.489 -395.724 PRESSAVG: 3133200 33.232 -5.7784 14.6463 -5.77841 -31.7826 -48.9705 14.6463 -48.9704 -27.5912 GPRESSAVG: 3133200 31.9499 -6.92899 14.0857 -6.09488 -30.1624 -51.461 14.1648 -48.2761 -27.3006 TIMING: 3133200 CPU: 9789.54, 0.00311198/step Wall: 9789.54, 0.00311199/step, 1.61374 hours remaining, 234.253906 MB of memory in use. ENERGY: 3133200 4000.9651 20593.9866 14483.2945 226.9761 -203487.4228 2809.6099 0.0000 0.0000 51818.1417 -109554.4488 297.7996 -161372.5905 -109187.6016 298.3906 -232.6829 -201.6050 763169.4576 -8.7140 -8.5043 PRESSURE: 3133400 -404.072 159.205 301.267 159.206 -194.658 89.8217 301.268 89.8215 281.02 GPRESSURE: 3133400 -279.283 68.1854 202.728 135.536 -204.913 -0.595474 247.462 37.0988 252.131 PRESSAVG: 3133400 2.85921 -30.5999 56.513 -30.5999 -7.97228 -10.9141 56.5131 -10.914 3.9635 GPRESSAVG: 3133400 4.68113 -29.1011 55.8696 -31.1797 -9.72754 -9.96137 58.1082 -9.95605 3.932 TIMING: 3133400 CPU: 9790.17, 0.00314208/step Wall: 9790.17, 0.00314208/step, 1.62917 hours remaining, 234.253906 MB of memory in use. ENERGY: 3133400 4018.4394 20541.5636 14456.3091 243.4282 -203405.7678 2586.8948 0.0000 0.0000 52333.1012 -109226.0316 300.7591 -161559.1328 -108858.5197 298.6112 -105.9036 -77.3548 764037.8444 -0.3832 -0.3715 PRESSURE: 3133600 462.871 -31.9541 -103.941 -31.9538 658.046 -59.0096 -103.943 -59.0098 179.033 GPRESSURE: 3133600 439.609 -7.84481 -16.0892 9.40549 718.835 -94.0561 -96.1912 -32.6174 219.397 PRESSAVG: 3133600 74.5485 -26.912 6.84982 -26.912 -18.84 11.2091 6.84983 11.2091 -0.730862 GPRESSAVG: 3133600 73.3487 -27.078 9.4351 -23.5073 -18.5707 11.773 6.56406 9.40851 0.369487 TIMING: 3133600 CPU: 9790.8, 0.00314122/step Wall: 9790.8, 0.00314122/step, 1.62855 hours remaining, 234.253906 MB of memory in use. ENERGY: 3133600 3926.2661 20498.8494 14509.8614 249.6619 -204059.6117 3211.3136 0.0000 0.0000 52392.7391 -109270.9203 301.1018 -161663.6593 -108907.2954 299.1374 433.3167 459.2804 762543.9861 18.3259 18.3825 PRESSURE: 3133800 132.137 -237.229 19.9805 -237.229 -226.294 139.73 19.9802 139.729 17.2977 GPRESSURE: 3133800 146.585 -273.377 -22.5451 -287.949 -132.085 170.557 -226.724 92.7307 -2.58975 PRESSAVG: 3133800 -56.6052 -56.6028 -9.59538 -56.6028 15.478 33.6848 -9.59535 33.6848 12.567 GPRESSAVG: 3133800 -56.4792 -56.8256 -11.5359 -60.0272 16.3414 34.4588 -12.1283 35.463 11.8588 TIMING: 3133800 CPU: 9791.42, 0.00313033/step Wall: 9791.42, 0.00313033/step, 1.62273 hours remaining, 234.253906 MB of memory in use. ENERGY: 3133800 3986.8250 20638.9373 14511.2473 260.9612 -203625.7664 2825.1268 0.0000 0.0000 52042.4359 -109360.2330 299.0886 -161402.6688 -108991.4052 299.4458 -25.6196 3.9703 764277.0089 -9.5200 -9.4263 PRESSURE: 3134000 43.7341 0.643239 -80.9319 0.642902 -67.0019 -69.4701 -80.9324 -69.4703 -132.29 GPRESSURE: 3134000 27.7332 56.2543 -76.2006 -17.1682 30.3138 -103.195 -117.104 -45.033 -123.966 PRESSAVG: 3134000 43.1801 6.97914 -48.6736 6.97908 -5.27891 -38.3028 -48.6736 -38.3029 17.7681 GPRESSAVG: 3134000 42.7002 8.66528 -47.8456 8.98116 -5.775 -38.8001 -50.3302 -38.4137 18.9338 TIMING: 3134000 CPU: 9792.05, 0.00311607/step Wall: 9792.05, 0.00311607/step, 1.61516 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3134000 4016.8700 20680.5591 14452.5092 261.9782 -203549.3382 2813.4096 0.0000 0.0000 52090.7190 -109233.2931 299.3661 -161324.0121 -108874.5329 299.2314 -51.8525 -21.9730 763742.2493 18.5564 18.6197 PRESSURE: 3134200 -15.9304 -139.134 -299.422 -139.135 -51.5511 212.901 -299.422 212.901 128.618 GPRESSURE: 3134200 6.39506 -14.9347 -355.537 -105.489 -27.0685 129.263 -276.715 285.331 183.509 PRESSAVG: 3134200 6.48918 -41.2859 -61.2634 -41.2859 29.5467 -4.06591 -61.2634 -4.06603 -15.9594 GPRESSAVG: 3134200 5.41465 -41.5823 -62.2554 -41.8673 30.1539 -4.30012 -56.5195 -4.04633 -15.9137 TIMING: 3134200 CPU: 9792.68, 0.00315296/step Wall: 9792.68, 0.00315296/step, 1.63411 hours remaining, 234.253906 MB of memory in use. ENERGY: 3134200 4013.8347 20621.8114 14462.5201 261.7529 -203571.3057 2985.0395 0.0000 0.0000 51984.6610 -109241.6862 298.7566 -161226.3472 -108884.9986 299.8107 20.3790 54.2784 764107.9948 6.6921 6.5516 PRESSURE: 3134400 -377.131 17.9937 192.789 17.9932 270.102 -73.8087 192.789 -73.8085 -111.845 GPRESSURE: 3134400 -331.993 -0.849336 113.176 -58.3921 308.113 -108.317 215.502 89.7927 -106.852 PRESSAVG: 3134400 19.6781 -40.9188 -2.7174 -40.9188 11.1661 -37.3602 -2.71741 -37.3602 10.1977 GPRESSAVG: 3134400 20.9184 -39.9543 -2.32228 -43.1172 10.4842 -37.4137 -5.15202 -37.0578 9.68409 TIMING: 3134400 CPU: 9793.3, 0.00313044/step Wall: 9793.3, 0.00313044/step, 1.62226 hours remaining, 234.253906 MB of memory in use. ENERGY: 3134400 3986.2891 20808.7854 14399.8952 232.1666 -203116.8540 2603.7311 0.0000 0.0000 51994.5681 -109091.4185 298.8135 -161085.9866 -108733.9641 299.6196 -72.9581 -43.5773 762525.1212 13.6806 13.6956 PRESSURE: 3134600 -147.647 -125.342 64.7456 -125.341 -108.722 -332.187 64.7446 -332.187 -74.7004 GPRESSURE: 3134600 -115.819 -166.966 143.84 32.2056 -119.633 -309.091 19.3995 -397.181 -15.2643 PRESSAVG: 3134600 10.284 -32.3418 35.1466 -32.3417 -22.3659 -16.4344 35.1465 -16.4344 -7.82162 GPRESSAVG: 3134600 9.4305 -34.9269 35.473 -29.1028 -22.719 -16.8083 35.5561 -16.4357 -7.13017 TIMING: 3134600 CPU: 9793.93, 0.00313403/step Wall: 9793.93, 0.00313403/step, 1.62395 hours remaining, 234.253906 MB of memory in use. ENERGY: 3134600 3992.7946 20532.7920 14567.6664 256.0321 -203191.9052 2569.1229 0.0000 0.0000 52255.3665 -109018.1308 300.3123 -161273.4973 -108659.2128 299.7919 -110.3565 -83.5721 762726.2581 -6.6345 -6.8062 PRESSURE: 3134800 -55.7797 -291.722 216.871 -291.722 96.9902 90.1457 216.872 90.1446 -132.31 GPRESSURE: 3134800 -10.5736 -238.194 122.077 -290.226 154.998 195.778 160.847 -5.75427 -130.095 PRESSAVG: 3134800 29.0585 -24.5275 23.8018 -24.5275 -29.0969 -65.8093 23.8018 -65.8093 -2.99807 GPRESSAVG: 3134800 28.7513 -22.9544 23.672 -25.5378 -30.2212 -64.1066 23.5113 -67.2326 -2.06388 TIMING: 3134800 CPU: 9794.56, 0.00312851/step Wall: 9794.56, 0.00312851/step, 1.62092 hours remaining, 234.253906 MB of memory in use. ENERGY: 3134800 3966.3154 20583.5341 14502.3498 259.2570 -202965.7799 2497.1964 0.0000 0.0000 51927.7287 -109229.3985 298.4294 -161157.1272 -108874.2782 299.7688 -30.3663 4.7764 762789.8648 -1.0122 -1.1779 PRESSURE: 3135000 53.8434 50.1331 -45.3752 50.133 32.5864 24.7329 -45.375 24.7322 387.977 GPRESSURE: 3135000 143.974 151.489 -74.817 -28.0366 56.0619 1.78937 83.4331 -28.6723 361.73 PRESSAVG: 3135000 38.192 -31.0701 18.3884 -31.0701 -43.8747 -57.349 18.3885 -57.349 -12.737 GPRESSAVG: 3135000 38.0641 -29.8783 18.2963 -31.6765 -43.4783 -58.2548 17.6851 -56.4694 -13.6375 TIMING: 3135000 CPU: 9795.18, 0.00312479/step Wall: 9795.18, 0.00312479/step, 1.61881 hours remaining, 234.253906 MB of memory in use. ENERGY: 3135000 3954.0436 20463.0479 14425.4933 252.8863 -203076.7583 2814.4998 0.0000 0.0000 51964.1997 -109202.5878 298.6390 -161166.7874 -108836.1111 299.1544 158.1357 187.2551 763593.8366 -6.1399 -6.3506 PRESSURE: 3135200 -208.078 -238.367 -267.731 -238.368 189.419 -117.951 -267.73 -117.95 266.811 GPRESSURE: 3135200 -51.8966 -199.338 -227.354 -337.895 219.3 -107.13 -362.989 -10.9597 170.861 PRESSAVG: 3135200 -10.7741 -5.80085 -55.7615 -5.8009 -4.16589 -36.1101 -55.7614 -36.1101 2.69856 GPRESSAVG: 3135200 -10.6711 -7.57618 -54.6329 -5.38174 -4.23003 -35.797 -55.9851 -38.507 2.56902 TIMING: 3135200 CPU: 9795.81, 0.00313259/step Wall: 9795.81, 0.00313259/step, 1.62268 hours remaining, 234.253906 MB of memory in use. ENERGY: 3135200 4082.9178 20495.2219 14403.3483 252.8636 -203500.9253 2883.2667 0.0000 0.0000 52042.0072 -109341.2998 299.0861 -161383.3069 -108976.4950 299.3348 82.7170 112.7550 763391.8853 -4.0805 -4.1107 PRESSURE: 3135400 -204.577 41.1878 -215.44 41.1881 -208.935 -32.8667 -215.44 -32.8663 -115.749 GPRESSURE: 3135400 -132.629 101.353 -181.242 50.7975 -199.103 20.9711 -230.604 27.1139 -102.798 PRESSAVG: 3135400 4.78824 -31.2991 -62.9425 -31.2992 7.27515 -28.3398 -62.9425 -28.3397 20.0239 GPRESSAVG: 3135400 5.34369 -32.4867 -66.6888 -31.4544 7.91927 -27.2849 -62.1317 -25.3839 18.9687 TIMING: 3135400 CPU: 9796.43, 0.00313217/step Wall: 9796.43, 0.00313217/step, 1.62229 hours remaining, 234.253906 MB of memory in use. ENERGY: 3135400 3995.8863 20501.4813 14432.6713 225.9803 -203114.0534 2586.5587 0.0000 0.0000 52052.4263 -109319.0494 299.1460 -161371.4757 -108952.0210 299.1042 -176.4202 -144.8431 763907.6901 10.6958 10.7439 PRESSURE: 3135600 1.38149 -73.7798 -121.913 -73.7798 -48.8383 74.2633 -121.913 74.264 -320.944 GPRESSURE: 3135600 -45.5222 -108.906 -264.505 -80.8972 47.9712 120.452 -76.2654 67.8242 -293.026 PRESSAVG: 3135600 -20.8462 -12.1487 -28.2742 -12.1488 13.7037 29.3293 -28.2743 29.3293 9.30768 GPRESSAVG: 3135600 -21.9555 -11.3166 -25.4494 -12.4133 14.2251 27.44 -29.86 27.4187 10.484 TIMING: 3135600 CPU: 9797.06, 0.00313551/step Wall: 9797.06, 0.00313551/step, 1.62385 hours remaining, 234.253906 MB of memory in use. ENERGY: 3135600 3972.2524 20609.7581 14564.4863 239.9410 -203209.9661 2601.2862 0.0000 0.0000 52079.9999 -109142.2421 299.3045 -161222.2420 -108780.3536 299.6114 -122.8002 -96.8591 764376.7579 0.7217 0.9179 PRESSURE: 3135800 -45.3818 39.5594 -97.6148 39.558 356.776 11.1993 -97.6151 11.199 -3.57234 GPRESSURE: 3135800 11.7696 28.6089 -115.039 -105.171 251.878 78.1143 -24.8035 73.2337 102.975 PRESSAVG: 3135800 -86.3981 14.6097 -48.3567 14.6097 42.5665 2.10561 -48.3566 2.10557 18.3459 GPRESSAVG: 3135800 -84.3473 12.7484 -48.5734 15.0632 40.722 3.99878 -45.9295 4.49056 17.9496 TIMING: 3135800 CPU: 9797.69, 0.00313428/step Wall: 9797.69, 0.00313428/step, 1.62304 hours remaining, 234.253906 MB of memory in use. ENERGY: 3135800 3953.4961 20520.2144 14416.6982 240.6151 -202896.9127 2631.4360 0.0000 0.0000 51872.9631 -109261.4898 298.1146 -161134.4529 -108898.6899 298.9502 102.6073 122.2077 763525.2581 -8.4952 -8.5586 PRESSURE: 3136000 -294.741 18.9899 43.0809 18.9907 -234.447 -216.372 43.0804 -216.371 -217.142 GPRESSURE: 3136000 -321.584 -6.19022 13.881 4.63983 -103.53 -152.442 178.119 -105.916 -236.813 PRESSAVG: 3136000 -70.5242 -18.1486 -7.9421 -18.1487 51.6271 6.32307 -7.94211 6.3232 10.678 GPRESSAVG: 3136000 -70.8413 -15.2889 -8.12257 -17.7328 52.352 5.21044 -9.41255 4.33875 9.70525 TIMING: 3136000 CPU: 9798.32, 0.00313653/step Wall: 9798.32, 0.00313653/step, 1.62402 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3136000 3982.7394 20532.3903 14505.7068 251.2718 -202914.5594 2460.6376 0.0000 0.0000 52004.6298 -109177.1837 298.8713 -161181.8135 -108809.0928 299.4103 -248.7762 -220.6423 763959.3525 -2.7397 -2.9280 PRESSURE: 3136200 -258.714 -273.917 44.3339 -273.917 -418.866 16.5955 44.333 16.5962 207.957 GPRESSURE: 3136200 -251.328 -148.892 25.3166 -304.034 -316.426 2.94247 6.52136 -19.5846 160.283 PRESSAVG: 3136200 -81.5347 -36.8706 -16.728 -36.8706 52.8905 -41.7378 -16.7281 -41.7378 18.7916 GPRESSAVG: 3136200 -81.3287 -38.3899 -18.0699 -35.5819 53.5792 -42.8224 -14.1776 -41.2318 18.3593 TIMING: 3136200 CPU: 9798.94, 0.00313929/step Wall: 9798.94, 0.00313929/step, 1.62528 hours remaining, 234.253906 MB of memory in use. ENERGY: 3136200 3932.5746 20508.3762 14415.5821 248.1733 -203328.5497 2648.9098 0.0000 0.0000 52395.8529 -109179.0808 301.1197 -161574.9337 -108801.8510 299.0219 -156.5413 -135.8236 763072.7624 -3.2842 -3.1301 LDB: ============= START OF LOAD BALANCING ============== 9811.42 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9811.42 LDB: =============== DONE WITH MIGRATION ================ 9811.42 LDB: ============= START OF LOAD BALANCING ============== 9811.74 LDB: Largest compute 7007 load 0.032044 is 16.4% of average load 0.195184 LDB: Average compute 0.004384 is 2.2% of average load 0.195184 LDB: TIME 9811.74 LOAD: AVG 0.195184 MAX 0.214889 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.23 MB LDB: TIME 9811.74 LOAD: AVG 0.195184 MAX 0.214889 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.234 MB LDB: TIME 9811.74 LOAD: AVG 0.195184 MAX 0.214889 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.234 MB LDB: ============== END OF LOAD BALANCING =============== 9811.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9811.75 PRESSURE: 3136400 274.906 83.2366 -81.3506 83.237 28.5513 80.3449 -81.3496 80.3452 417.801 GPRESSURE: 3136400 250.554 -35.6335 -99.4812 33.1969 121.518 157.197 -164.806 -12.27 414.854 PRESSAVG: 3136400 -24.3522 -25.1609 2.68652 -25.1609 29.9469 2.2216 2.68654 2.22163 -17.5112 GPRESSAVG: 3136400 -25.121 -24.334 3.66554 -26.059 30.0962 4.80596 -0.041566 -0.281006 -16.7938 TIMING: 3136400 CPU: 9799.58, 0.00319884/step Wall: 9799.58, 0.00319884/step, 1.65593 hours remaining, 233.742188 MB of memory in use. ENERGY: 3136400 3919.7121 20731.6726 14475.6062 242.2870 -203471.8366 2979.5550 0.0000 0.0000 52065.3503 -109057.6535 299.2203 -161123.0038 -108694.9995 299.7729 240.4197 262.3089 763131.2539 -3.9722 -3.9395 PRESSURE: 3136600 -354.473 100.531 106.818 100.531 -117.251 -3.26706 106.817 -3.26754 33.9988 GPRESSURE: 3136600 -304.23 53.7539 103.273 68.5667 -107.078 57.0603 85.5789 -70.6447 66.8674 PRESSAVG: 3136600 6.31827 14.7287 -5.23177 14.7287 -50.0121 -26.2815 -5.23179 -26.2815 6.11635 GPRESSAVG: 3136600 6.83138 14.8721 -4.67813 15.0576 -50.2683 -26.1088 -5.5745 -26.4765 5.88233 TIMING: 3136600 CPU: 9800.21, 0.0031354/step Wall: 9800.21, 0.0031354/step, 1.62292 hours remaining, 233.945312 MB of memory in use. ENERGY: 3136600 3977.9559 20451.4091 14429.8955 242.6000 -203537.1264 2863.0407 0.0000 0.0000 52470.3468 -109101.8784 301.5478 -161572.2252 -108728.8132 299.7626 -145.9084 -114.8136 763242.3311 -12.5258 -12.5182 PRESSURE: 3136800 250.108 -89.9232 -85.8751 -89.9227 244.73 -40.7022 -85.8752 -40.7018 -138.67 GPRESSURE: 3136800 131.784 -51.3734 -95.7295 -230.229 349.994 -162.267 -138.826 29.8707 -31.9965 PRESSAVG: 3136800 -22.794 -21.1719 40.83 -21.172 34.0692 -53.6922 40.83 -53.6922 -24.6823 GPRESSAVG: 3136800 -23.4706 -21.4651 40.4623 -22.4182 34.2101 -55.1083 41.2909 -51.8697 -23.9207 TIMING: 3136800 CPU: 9800.84, 0.00313978/step Wall: 9800.84, 0.00313978/step, 1.62501 hours remaining, 233.945312 MB of memory in use. ENERGY: 3136800 3941.6977 20707.4419 14392.4844 248.0275 -203534.9637 2969.6700 0.0000 0.0000 52168.0685 -109107.5737 299.8106 -161275.6422 -108740.8944 299.9707 118.7226 149.9271 761999.9748 -4.4690 -4.3937 PRESSURE: 3137000 -54.3524 -236.45 7.27547 -236.45 205.713 -36.1727 7.27531 -36.1715 -121.233 GPRESSURE: 3137000 -77.0862 -221.628 105.434 -307.757 174.431 -0.137025 39.5722 -50.8705 24.2936 PRESSAVG: 3137000 -17.2381 1.91238 60.4852 1.91244 16.178 -2.74064 60.4852 -2.74062 33.3094 GPRESSAVG: 3137000 -16.6164 0.395412 60.7542 3.84654 16.154 -0.648996 61.7901 -5.43026 32.9408 TIMING: 3137000 CPU: 9801.46, 0.00312861/step Wall: 9801.46, 0.00312861/step, 1.61905 hours remaining, 233.945312 MB of memory in use. ENERGY: 3137000 3988.6535 20314.8390 14508.2865 237.4381 -203223.3091 2645.2045 0.0000 0.0000 52273.6567 -109255.2308 300.4174 -161528.8875 -108887.5343 300.1412 10.0427 40.5461 762184.7259 10.7498 10.8261 PRESSURE: 3137200 39.5509 -7.13613 35.0858 -7.13518 -126.668 22.24 35.0854 22.2403 192.693 GPRESSURE: 3137200 155.907 17.0967 86.4772 77.0106 -160.407 -2.98994 2.53722 67.2716 212.979 PRESSAVG: 3137200 37.8933 -51.3622 3.2947 -51.3622 -48.8657 4.59092 3.29473 4.59084 -5.10805 GPRESSAVG: 3137200 36.8344 -47.7994 3.57401 -52.3468 -48.3221 1.78048 0.412368 7.19115 -4.79408 TIMING: 3137200 CPU: 9802.09, 0.0031267/step Wall: 9802.09, 0.0031267/step, 1.61789 hours remaining, 233.945312 MB of memory in use. ENERGY: 3137200 3944.7337 20509.6627 14529.1924 240.1028 -203462.4564 2871.1033 0.0000 0.0000 52106.6087 -109261.0528 299.4574 -161367.6616 -108888.5063 299.7053 35.1920 69.4929 762458.0503 -5.3602 -5.4272 PRESSURE: 3137400 417.707 -0.86192 -83.7632 -0.863501 46.7194 197.868 -83.7631 197.868 277.654 GPRESSURE: 3137400 421.543 97.3291 -84.5971 55.3371 20.9292 299.714 -26.7095 176.592 383.264 PRESSAVG: 3137400 -6.22851 5.65703 13.2636 5.65701 -9.85153 -64.2236 13.2636 -64.2236 0.491358 GPRESSAVG: 3137400 -5.41181 4.21322 11.9388 5.70593 -9.84365 -62.0729 14.4257 -62.8415 -0.178881 TIMING: 3137400 CPU: 9802.72, 0.00313606/step Wall: 9802.72, 0.00313606/step, 1.62256 hours remaining, 233.945312 MB of memory in use. ENERGY: 3137400 3993.5654 20647.7051 14473.4975 256.2427 -203378.6141 2775.9202 0.0000 0.0000 52054.9406 -109176.7426 299.1605 -161231.6833 -108811.6479 299.6443 247.3603 275.2455 762020.0598 -5.1962 -5.1448 PRESSURE: 3137600 23.6503 -49.566 184.238 -49.5661 -253.776 -79.8296 184.237 -79.8287 228.911 GPRESSURE: 3137600 0.0147319 -31.4701 114.83 -15.1322 -191.226 6.74152 319.58 -190.555 261.858 PRESSAVG: 3137600 -18.5469 -9.90206 -19.7841 -9.90201 -18.4529 -14.9464 -19.7841 -14.9464 4.82568 GPRESSAVG: 3137600 -16.7541 -9.18509 -19.4968 -9.7444 -19.0134 -16.8122 -18.9145 -15.3279 4.30942 TIMING: 3137600 CPU: 9803.35, 0.0031528/step Wall: 9803.35, 0.0031528/step, 1.63105 hours remaining, 233.945312 MB of memory in use. ENERGY: 3137600 3956.7685 20599.8397 14452.3799 263.3574 -203256.5993 2692.8001 0.0000 0.0000 52236.1632 -109055.2905 300.2019 -161291.4537 -108690.9315 299.2538 -0.4050 23.5489 763358.0264 -10.7247 -10.4860 PRESSURE: 3137800 -58.8937 -9.54921 233.437 -9.54941 -99.9924 -196.153 233.437 -196.153 -523.173 GPRESSURE: 3137800 -103.409 11.6246 307.948 -38.2581 10.4584 -141.703 173.376 -9.36948 -503.306 PRESSAVG: 3137800 -7.80491 -20.6791 28.2871 -20.679 -27.8955 -26.4096 28.287 -26.4095 9.74003 GPRESSAVG: 3137800 -9.36747 -21.6422 28.9789 -22.862 -26.7529 -25.4417 28.713 -26.6762 9.62163 TIMING: 3137800 CPU: 9803.97, 0.00313571/step Wall: 9803.97, 0.00313571/step, 1.62204 hours remaining, 233.945312 MB of memory in use. ENERGY: 3137800 4065.8146 20522.8824 14495.7311 242.9261 -203504.8731 2906.0444 0.0000 0.0000 51852.1701 -109419.3045 297.9951 -161271.4746 -109054.3154 299.4498 -227.3529 -198.7520 763124.0058 -8.6535 -8.8329 PRESSURE: 3138000 10.3696 67.9875 -136.68 67.9874 -158.888 44.9261 -136.679 44.9264 -43.2131 GPRESSURE: 3138000 85.8352 -13.3776 -127.562 62.5848 -213.903 -17.8863 -173.801 49.7859 2.62464 PRESSAVG: 3138000 36.4181 -59.1788 -7.91259 -59.1788 -4.18374 -61.2132 -7.91256 -61.2132 -4.6083 GPRESSAVG: 3138000 36.3185 -58.5415 -9.53328 -58.4342 -6.473 -60.3055 -8.57944 -63.8432 -2.59282 TIMING: 3138000 CPU: 9804.6, 0.00312094/step Wall: 9804.6, 0.00312094/step, 1.61422 hours remaining, 233.945312 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: 3138000 3893.4067 20524.4494 14545.7170 241.7449 -203633.5782 2713.8119 0.0000 0.0000 52216.7938 -109497.6546 300.0906 -161714.4484 -109137.0657 298.8783 -63.9105 -41.8143 762318.9810 9.2087 9.0842 PRESSURE: 3138200 3.76061 30.4107 -99.3387 30.4103 -51.3069 171.579 -99.338 171.58 87.35 GPRESSURE: 3138200 152.477 51.6756 -46.9521 122.025 -90.4236 210.178 -80.891 -3.53734 60.9062 PRESSAVG: 3138200 49.0583 15.9785 28.1406 15.9785 -8.76173 -15.441 28.1406 -15.4409 18.0862 GPRESSAVG: 3138200 48.3957 14.7352 29.6261 15.4408 -7.84049 -16.1613 29.2266 -14.9954 17.0454 TIMING: 3138200 CPU: 9805.22, 0.0031204/step Wall: 9805.22, 0.0031204/step, 1.61376 hours remaining, 233.945312 MB of memory in use. ENERGY: 3138200 3921.0387 20561.3436 14382.7390 229.0796 -203252.8972 2718.2697 0.0000 0.0000 52017.7523 -109422.6744 298.9467 -161440.4266 -109065.2442 299.2296 13.2679 40.9867 761641.2149 19.4609 19.2002 PRESSURE: 3138400 292.001 -73.2843 6.06109 -73.2837 -72.0488 -17.0745 6.06155 -17.075 163.215 GPRESSURE: 3138400 291.942 -43.7105 87.8951 -188.436 38.235 93.6074 -95.3732 -151.139 150.5 PRESSAVG: 3138400 3.62141 8.6851 -49.6837 8.68505 -15.9177 54.2526 -49.6837 54.2526 18.3295 GPRESSAVG: 3138400 4.09593 8.26255 -48.7613 7.58241 -16.6743 56.3068 -50.4542 55.809 18.6107 TIMING: 3138400 CPU: 9805.85, 0.003119/step Wall: 9805.85, 0.003119/step, 1.61287 hours remaining, 233.945312 MB of memory in use. ENERGY: 3138400 3929.9784 20472.5646 14410.9474 250.5303 -203022.3938 2614.5245 0.0000 0.0000 51902.9312 -109440.9175 298.2869 -161343.8487 -109077.8149 298.1813 127.7223 160.2255 762760.8227 2.0111 2.0108 PRESSURE: 3138600 -157.845 35.6588 185.393 35.6587 162.479 -176.693 185.391 -176.693 -55.4548 GPRESSURE: 3138600 -205.753 58.1539 168.818 176.091 154.166 -125.225 268.663 -178.955 61.2969 PRESSAVG: 3138600 14.0965 9.32134 -38.775 9.32136 -45.2586 50.5142 -38.7749 50.5141 26.7522 GPRESSAVG: 3138600 13.9119 9.92481 -39.1022 12.3397 -44.5621 45.9993 -38.1561 52.0255 25.7579 TIMING: 3138600 CPU: 9806.47, 0.00312569/step Wall: 9806.47, 0.00312569/step, 1.61615 hours remaining, 233.945312 MB of memory in use. ENERGY: 3138600 3974.4868 20514.2053 14412.4432 235.3419 -203066.7163 2627.1862 0.0000 0.0000 52079.0127 -109224.0401 299.2988 -161303.0528 -108860.5374 299.0597 -16.9402 3.2365 763089.8289 -1.4700 -1.6307 PRESSURE: 3138800 -34.1939 34.4903 185.049 34.491 70.7481 -264.079 185.049 -264.08 504.886 GPRESSURE: 3138800 -14.1022 84.2374 115.006 -0.776698 159.237 -189.881 158.629 -239.125 490.2 PRESSAVG: 3138800 -21.5866 -49.6338 40.843 -49.6339 -20.1173 -26.3421 40.843 -26.3422 17.5124 GPRESSAVG: 3138800 -21.4994 -49.9626 39.1598 -49.7431 -20.2595 -25.1682 39.6459 -25.4842 17.846 TIMING: 3138800 CPU: 9807.1, 0.00312895/step Wall: 9807.1, 0.00312895/step, 1.61767 hours remaining, 233.945312 MB of memory in use. ENERGY: 3138800 3881.8475 20506.3313 14418.8685 237.4218 -203142.2357 2973.9534 0.0000 0.0000 52110.9686 -109012.8445 299.4825 -161123.8131 -108660.6386 299.3205 180.4800 211.7782 763264.8544 -8.0638 -7.9710 PRESSURE: 3139000 -199.958 -217.865 -31.7193 -217.864 100.778 -41.4074 -31.7199 -41.407 -243.683 GPRESSURE: 3139000 -119.167 -181.273 -81.4236 -202.888 120.059 -34.3977 -36.6926 -99.0318 -234.633 PRESSAVG: 3139000 57.5456 -50.7657 71.7426 -50.7658 -23.1179 -40.8975 71.7426 -40.8974 -6.55025 GPRESSAVG: 3139000 58.0834 -49.9516 72.4948 -50.8224 -23.1622 -38.949 70.561 -42.3658 -6.62674 TIMING: 3139000 CPU: 9807.73, 0.00314842/step Wall: 9807.73, 0.00314842/step, 1.62756 hours remaining, 233.945312 MB of memory in use. ENERGY: 3139000 4071.9464 20470.7040 14457.7932 258.3525 -202833.1846 2628.5789 0.0000 0.0000 52168.2684 -108777.5412 299.8118 -160945.8095 -108422.3679 299.9602 -114.2875 -77.9136 762399.5507 9.2925 9.4315 PRESSURE: 3139200 -3.48338 53.2114 -4.20764 53.2113 292.594 324.85 -4.20742 324.851 -128.384 GPRESSURE: 3139200 -23.428 -17.7155 -64.4136 114.989 250.376 257.74 11.5317 267.483 7.07621 PRESSAVG: 3139200 15.0891 -5.30463 43.9884 -5.3046 -28.2337 -26.8178 43.9885 -26.8178 18.0081 GPRESSAVG: 3139200 14.2367 -4.10929 43.6428 -6.19917 -26.5998 -27.0909 47.3096 -27.9997 17.8487 TIMING: 3139200 CPU: 9808.36, 0.00314373/step Wall: 9808.36, 0.00314373/step, 1.62496 hours remaining, 233.945312 MB of memory in use. ENERGY: 3139200 4037.0764 20665.4064 14378.7538 261.6043 -202808.6940 2482.1285 0.0000 0.0000 52072.2276 -108911.4970 299.2598 -160983.7245 -108558.9178 299.7775 53.5756 78.0082 763197.0746 1.6212 1.8285 PRESSURE: 3139400 -181.352 -65.6065 -111.679 -65.6065 -252.557 -50.2622 -111.681 -50.2644 179.845 GPRESSURE: 3139400 -106.274 -217.386 -189.265 -26.4983 -178.195 -27.0464 -36.7377 28.3146 124.315 PRESSAVG: 3139400 40.9134 -22.7014 -19.7408 -22.7015 -37.3917 28.5243 -19.7408 28.5243 3.83821 GPRESSAVG: 3139400 41.6674 -25.824 -19.8745 -23.4617 -37.6669 27.584 -20.7997 29.9246 3.13566 TIMING: 3139400 CPU: 9808.98, 0.00313741/step Wall: 9808.98, 0.00313741/step, 1.62152 hours remaining, 233.945312 MB of memory in use. ENERGY: 3139400 3988.0158 20587.9332 14440.6509 244.9384 -202538.3122 2234.9628 0.0000 0.0000 52148.9724 -108892.8387 299.7009 -161041.8111 -108525.3075 300.2218 -84.6879 -53.3850 762500.9047 2.4533 2.3787 PRESSURE: 3139600 12.1488 -40.4886 -372.652 -40.4888 -98.4326 47.9015 -372.652 47.9023 -151.357 GPRESSURE: 3139600 61.1507 62.9567 -299.017 61.8963 -83.0948 101.536 -390.628 193.331 -141.344 PRESSAVG: 3139600 9.96256 -64.0772 -20.0856 -64.0772 -6.86209 22.5441 -20.0855 22.5441 10.1031 GPRESSAVG: 3139600 10.8465 -62.5383 -20.1873 -61.6764 -8.01323 24.2359 -21.0171 22.2241 10.4892 TIMING: 3139600 CPU: 9809.61, 0.00312397/step Wall: 9809.61, 0.00312397/step, 1.6144 hours remaining, 233.945312 MB of memory in use. ENERGY: 3139600 4028.3564 20499.1720 14550.1322 250.2935 -203335.9841 2697.2429 0.0000 0.0000 52352.1142 -108958.6728 300.8683 -161310.7870 -108598.8760 300.0749 -79.2135 -54.4292 761015.3759 4.4012 4.4408 PRESSURE: 3139800 264.568 7.61941 -34.3481 7.61904 44.9969 239.02 -34.3483 239.02 496.443 GPRESSURE: 3139800 257.272 -12.6977 15.0845 -136.737 106.8 262.762 -13.5194 12.5722 518.345 PRESSAVG: 3139800 -12.8324 -11.5499 68.3123 -11.5499 -37.9843 -1.863 68.3123 -1.86293 21.0682 GPRESSAVG: 3139800 -13.8087 -11.6 70.1745 -13.6629 -38.3002 -2.74351 69.3525 -1.83695 22.203 TIMING: 3139800 CPU: 9810.24, 0.0031395/step Wall: 9810.24, 0.0031395/step, 1.62225 hours remaining, 233.945312 MB of memory in use. ENERGY: 3139800 3939.9950 20363.0042 14436.3447 256.8314 -203249.5467 3009.7826 0.0000 0.0000 51962.7373 -109280.8514 298.6306 -161243.5887 -108924.8929 299.4604 268.6692 294.1390 762609.4523 -9.9162 -9.9686 PRESSURE: 3140000 285.426 11.0951 214.609 11.0952 -230.22 -60.6248 214.609 -60.6251 -134.586 GPRESSURE: 3140000 363.56 63.4518 197.956 -37.0025 -215.659 -140.375 167.645 23.7943 -146.907 PRESSAVG: 3140000 29.2353 -22.0794 14.0495 -22.0795 -75.9374 35.1926 14.0495 35.1927 18.9434 GPRESSAVG: 3140000 29.9181 -22.0236 12.8667 -21.5506 -76.382 34.8631 12.8129 34.4496 18.3827 TIMING: 3140000 CPU: 9810.87, 0.00314806/step Wall: 9810.87, 0.00314806/step, 1.6265 hours remaining, 233.945312 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: 3140000 3918.7706 20321.6251 14418.0411 259.6639 -203365.4151 2920.7569 0.0000 0.0000 52012.1745 -109514.3829 298.9147 -161526.5575 -109151.6373 298.5748 -26.4601 0.3314 762520.4244 -9.2529 -9.3604 PRESSURE: 3140200 4.79021 116.022 53.952 116.022 -292.81 -23.1972 53.952 -23.1962 -81.2134 GPRESSURE: 3140200 -1.87515 139.071 10.8889 43.4836 -157.421 29.7202 2.52995 -61.8861 -123.424 PRESSAVG: 3140200 134.637 -2.46742 -10.9622 -2.46744 -85.4929 46.5961 -10.9621 46.596 12.9329 GPRESSAVG: 3140200 132.015 -1.07845 -10.9203 -4.29096 -83.7984 48.9417 -10.1169 46.4992 13.6265 TIMING: 3140200 CPU: 9811.5, 0.00316215/step Wall: 9811.5, 0.00316215/step, 1.6336 hours remaining, 233.945312 MB of memory in use. ENERGY: 3140200 3923.4621 20403.1352 14469.1172 238.7937 -203260.2758 2490.5333 0.0000 0.0000 52174.4286 -109560.8056 299.8472 -161735.2342 -109198.9568 298.5603 -123.0778 -94.2400 761820.7275 20.6922 20.6143 LDB: ============= START OF LOAD BALANCING ============== 9823.98 LDB: ============== END OF LOAD BALANCING =============== 9823.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9823.98 LDB: ============= START OF LOAD BALANCING ============== 9824.3 LDB: Largest compute 7007 load 0.029603 is 15.2% of average load 0.195201 LDB: Average compute 0.004380 is 2.2% of average load 0.195201 LDB: TIME 9824.3 LOAD: AVG 0.195201 MAX 0.215598 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.766 MB LDB: TIME 9824.3 LOAD: AVG 0.195201 MAX 0.215598 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.766 MB LDB: TIME 9824.3 LOAD: AVG 0.195201 MAX 0.215598 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.766 MB LDB: ============== END OF LOAD BALANCING =============== 9824.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9824.31 PRESSURE: 3140400 -594.534 11.5402 72.7851 11.5399 -203.506 -14.8328 72.7854 -14.8327 126.945 GPRESSURE: 3140400 -533.303 75.1579 27.6678 32.1207 -161 -47.8391 66.1225 77.5126 103.227 PRESSAVG: 3140400 33.5992 -19.9657 -34.5378 -19.9657 -45.9207 -0.216099 -34.5378 -0.215983 -10.4636 GPRESSAVG: 3140400 34.647 -21.4832 -34.0453 -18.046 -46.724 -3.29746 -33.9516 0.952845 -11.3028 TIMING: 3140400 CPU: 9812.14, 0.00322408/step Wall: 9812.14, 0.00322408/step, 1.66542 hours remaining, 234.253906 MB of memory in use. ENERGY: 3140400 3962.5166 20373.6157 14413.2183 221.2425 -203224.1847 2718.0906 0.0000 0.0000 51853.3798 -109682.1213 298.0021 -161535.5011 -109324.3675 298.2937 -223.6985 -197.0255 764307.3840 -7.5950 -7.7932 PRESSURE: 3140600 280.185 -34.1229 -114.918 -34.1239 -426.1 16.1766 -114.918 16.176 -57.8676 GPRESSURE: 3140600 295.899 -29.3206 -106.659 -63.3126 -359.38 -4.49989 -103.028 20.3902 -50.9332 PRESSAVG: 3140600 29.788 3.08547 -17.285 3.08552 -35.7176 -40.4892 -17.285 -40.4893 15.959 GPRESSAVG: 3140600 29.4824 3.52722 -16.2763 0.814567 -36.1178 -39.4645 -16.6898 -40.6524 16.4143 TIMING: 3140600 CPU: 9812.77, 0.00313677/step Wall: 9812.77, 0.00313677/step, 1.62014 hours remaining, 234.253906 MB of memory in use. ENERGY: 3140600 4018.2115 20342.7085 14440.8807 255.8470 -203258.4521 2654.6324 0.0000 0.0000 51851.8679 -109694.3042 297.9934 -161546.1721 -109328.4319 297.8529 -67.9274 -38.1381 764258.3754 3.3431 3.2597 PRESSURE: 3140800 -266.66 -209.893 183.471 -209.893 28.8501 115.117 183.472 115.116 326.92 GPRESSURE: 3140800 -200.681 -148.736 259.415 -220.865 100.456 159.61 91.9352 66.5564 300.385 PRESSAVG: 3140800 49.0179 21.7884 -69.0633 21.7884 -26.1425 12.4098 -69.0633 12.4098 -8.405 GPRESSAVG: 3140800 49.2017 22.6056 -67.5969 22.1598 -25.9711 14.2925 -72.0859 13.0748 -8.88078 TIMING: 3140800 CPU: 9813.4, 0.00312928/step Wall: 9813.4, 0.00312928/step, 1.6161 hours remaining, 234.253906 MB of memory in use. ENERGY: 3140800 3980.3314 20336.1883 14432.6309 245.2361 -203421.3993 2761.6750 0.0000 0.0000 51873.4748 -109791.8628 298.1176 -161665.3376 -109438.4443 297.8518 29.7033 66.7199 764516.1700 4.8235 4.7833 PRESSURE: 3141000 162.81 -81.441 132.05 -81.441 -134.572 -189.814 132.05 -189.814 116.864 GPRESSURE: 3141000 211.471 -59.082 131.266 -150.48 -155.518 -91.263 194.586 -66.4702 172.646 PRESSAVG: 3141000 -5.421 -47.349 -16.3512 -47.349 13.3445 40.2968 -16.3512 40.2967 8.34316 GPRESSAVG: 3141000 -4.75535 -47.0497 -18.9266 -47.3451 12.276 38.8448 -14.7517 39.4677 9.05281 TIMING: 3141000 CPU: 9814.02, 0.00313871/step Wall: 9814.02, 0.00313871/step, 1.6208 hours remaining, 234.253906 MB of memory in use. ENERGY: 3141000 4027.1267 20535.4970 14438.8057 246.1832 -203602.9892 2781.7280 0.0000 0.0000 51801.4193 -109772.2292 297.7035 -161573.6485 -109425.0787 298.0099 48.3670 76.1998 762054.7861 5.4222 5.5245 PRESSURE: 3141200 -274.443 -2.36194 -203.553 -2.36179 106.355 -175.753 -203.553 -175.753 14.6502 GPRESSURE: 3141200 -138.294 3.67031 -205.072 103.663 96.6904 -246.162 -108.544 -37.8483 -8.94023 PRESSAVG: 3141200 82.3112 20.5933 7.42593 20.5933 -56.22 -43.7107 7.42594 -43.7107 10.3739 GPRESSAVG: 3141200 82.4419 19.9609 7.13424 22.6105 -54.368 -43.8741 7.14321 -43.947 8.1724 TIMING: 3141200 CPU: 9814.65, 0.00314177/step Wall: 9814.65, 0.00314177/step, 1.6222 hours remaining, 234.253906 MB of memory in use. ENERGY: 3141200 3920.3033 20276.4802 14474.5846 252.6881 -203604.2399 2800.8124 0.0000 0.0000 51953.7778 -109925.5933 298.5791 -161879.3711 -109561.1963 298.4681 -51.1458 -16.8480 763692.8397 12.1550 12.0821 PRESSURE: 3141400 -275.083 -54.0465 123.975 -54.0457 -359.101 -4.21979 123.975 -4.21946 -48.5032 GPRESSURE: 3141400 -281.366 -53.5885 12.4889 -93.9887 -316.213 -21.8737 197.25 61.1014 -1.73053 PRESSAVG: 3141400 92.511 -12.8933 -10.1342 -12.8933 -59.4966 4.58653 -10.1342 4.58649 -9.12835 GPRESSAVG: 3141400 90.8271 -14.6197 -11.0346 -14.9458 -58.8037 4.30055 -10.0252 4.44699 -8.28342 TIMING: 3141400 CPU: 9815.28, 0.00313669/step Wall: 9815.28, 0.0031367/step, 1.61941 hours remaining, 234.253906 MB of memory in use. ENERGY: 3141400 4014.6965 20624.8401 14520.7879 241.5012 -203479.1395 2500.4922 0.0000 0.0000 51872.6374 -109704.1842 298.1128 -161576.8216 -109351.8735 298.7633 -227.5624 -199.7698 763995.1258 7.9620 7.9133 PRESSURE: 3141600 298.57 -107.193 110.54 -107.193 266.176 59.7429 110.542 59.7428 39.8204 GPRESSURE: 3141600 286.473 -30.4215 150.616 -40.1075 296.707 70.1861 141.29 -173.05 97.0231 PRESSAVG: 3141600 55.0111 15.3924 19.6196 15.3924 -49.4158 -17.1965 19.6196 -17.1965 -23.5276 GPRESSAVG: 3141600 54.2772 15.4708 21.3951 18.9903 -49.3036 -16.3914 19.88 -17.2232 -22.432 TIMING: 3141600 CPU: 9815.9, 0.00311734/step Wall: 9815.9, 0.00311734/step, 1.60924 hours remaining, 234.253906 MB of memory in use. ENERGY: 3141600 4039.9125 20564.9050 14486.5048 274.6018 -204131.4882 3135.8180 0.0000 0.0000 52001.7039 -109628.0422 298.8545 -161629.7460 -109260.7009 298.3858 201.5221 226.7345 762159.6295 -5.9774 -5.8194 PRESSURE: 3141800 90.4664 29.8196 -12.8874 29.8192 391.038 169.363 -12.8867 169.362 -289.411 GPRESSURE: 3141800 84.9771 33.296 -81.7998 -6.25748 453.705 112.613 28.4924 199.66 -251.083 PRESSAVG: 3141800 9.28214 2.87963 -13.5298 2.87967 5.9466 -10.2578 -13.5298 -10.2579 14.8405 GPRESSAVG: 3141800 11.1664 3.44143 -13.587 0.437284 5.18536 -11.4511 -13.2567 -8.41828 13.9962 TIMING: 3141800 CPU: 9816.53, 0.00313063/step Wall: 9816.53, 0.00313063/step, 1.61593 hours remaining, 234.253906 MB of memory in use. ENERGY: 3141800 4017.8667 20547.3359 14399.7195 252.5680 -203792.9140 2912.5939 0.0000 0.0000 51915.2305 -109747.5995 298.3575 -161662.8300 -109384.3265 298.1818 64.0311 95.8663 762311.7808 10.0231 10.1160 PRESSURE: 3142000 -184.134 -273.723 120.941 -273.723 21.3464 -53.8428 120.941 -53.8416 -229.764 GPRESSURE: 3142000 -129.621 -158.916 110.962 -302.406 19.9612 -35.9645 119.108 -47.1068 -199.736 PRESSAVG: 3142000 -35.4989 -41.3897 -17.0662 -41.3897 -6.77427 -48.054 -17.0661 -48.0539 7.88204 GPRESSAVG: 3142000 -34.3977 -41.5697 -16.545 -40.956 -7.72586 -47.2722 -18.9674 -48.523 7.83271 TIMING: 3142000 CPU: 9817.16, 0.00314145/step Wall: 9817.16, 0.00314145/step, 1.62134 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3142000 4035.8764 20382.0352 14448.8922 257.4062 -203992.7896 3202.7347 0.0000 0.0000 52068.1901 -109597.6548 299.2366 -161665.8449 -109231.3888 298.3061 -130.8505 -103.1320 764224.2988 -11.4637 -11.4303 PRESSURE: 3142200 35.6799 29.3669 21.1978 29.3665 -141.198 -38.1345 21.1981 -38.1344 -160.4 GPRESSURE: 3142200 94.8404 -45.1691 37.8262 61.901 -145.864 -125.042 60.0918 -20.1969 -101.253 PRESSAVG: 3142200 -12.6015 -54.6492 -5.13967 -54.6491 15.0547 2.47395 -5.13967 2.47397 11.5777 GPRESSAVG: 3142200 -13.1612 -54.9563 -3.77659 -54.5332 15.1083 4.44355 -4.43621 0.882953 12.2346 TIMING: 3142200 CPU: 9817.78, 0.0031205/step Wall: 9817.78, 0.0031205/step, 1.61035 hours remaining, 234.253906 MB of memory in use. ENERGY: 3142200 4061.9759 20464.6198 14434.6292 253.3386 -203563.4420 2691.7396 0.0000 0.0000 52015.4501 -109641.6888 298.9335 -161657.1389 -109278.2249 298.5489 -88.6394 -50.7586 762123.0008 4.6770 4.7272 PRESSURE: 3142400 -331.831 132.6 -115.521 132.599 -279.862 174.344 -115.522 174.344 -83.2835 GPRESSURE: 3142400 -307.555 218.723 -198.032 51.5122 -252.466 248.342 -73.4958 87.6645 -42.4823 PRESSAVG: 3142400 15.8236 26.673 -23.0158 26.673 -48.6865 -15.6386 -23.0158 -15.6386 1.09984 GPRESSAVG: 3142400 16.2068 27.7115 -25.3735 25.9114 -47.0386 -15.375 -20.5841 -14.1985 -0.918589 TIMING: 3142400 CPU: 9818.41, 0.00312162/step Wall: 9818.41, 0.00312162/step, 1.61075 hours remaining, 234.253906 MB of memory in use. ENERGY: 3142400 3966.8620 20631.4461 14551.2387 258.3321 -203408.2270 2759.0590 0.0000 0.0000 52144.1649 -109097.1242 299.6732 -161241.2891 -108739.6620 298.9121 -231.6588 -200.8346 761839.9387 -10.5877 -10.5835 PRESSURE: 3142600 93.2422 -128.743 45.6456 -128.743 228.017 252.56 45.6454 252.56 -148.094 GPRESSURE: 3142600 152.097 -66.5644 7.346 11.5048 213.653 235.433 77.4446 82.7216 -106.836 PRESSAVG: 3142600 3.37115 11.9848 8.66522 11.9849 51.0683 -19.0709 8.66527 -19.0709 33.6816 GPRESSAVG: 3142600 3.19913 11.7672 8.3246 13.3777 49.6063 -21.2364 7.12783 -18.5869 34.9731 TIMING: 3142600 CPU: 9819.03, 0.00312817/step Wall: 9819.03, 0.00312817/step, 1.61396 hours remaining, 234.253906 MB of memory in use. ENERGY: 3142600 3986.1616 20510.2686 14528.9588 260.7198 -203632.4290 2813.4032 0.0000 0.0000 52363.0018 -109169.9152 300.9309 -161532.9170 -108804.0459 299.9398 57.7217 86.3049 761776.0941 29.3737 29.2595 PRESSURE: 3142800 435.497 -106.151 -21.7574 -106.151 -84.0581 -43.0799 -21.757 -43.0807 110.301 GPRESSURE: 3142800 418.13 -57.9202 -16.493 -119.279 50.778 -30.0251 66.6493 -120.976 81.3453 PRESSAVG: 3142800 -4.73773 11.7478 71.4361 11.7478 10.7711 -27.4516 71.436 -27.4516 -8.18071 GPRESSAVG: 3142800 -4.99517 12.1457 71.9187 12.5031 10.5913 -26.2834 72.4024 -28.8838 -7.80189 TIMING: 3142800 CPU: 9819.66, 0.00313118/step Wall: 9819.66, 0.00313118/step, 1.61534 hours remaining, 234.253906 MB of memory in use. ENERGY: 3142800 3993.3474 20470.7353 14497.2218 251.0162 -204000.3940 2908.6660 0.0000 0.0000 52464.4428 -109414.9644 301.5139 -161879.4072 -109044.9464 299.9949 153.9132 183.4178 761744.5606 -0.7158 -0.7353 PRESSURE: 3143000 -545.339 205.46 128.816 205.46 -331.732 -91.4278 128.816 -91.4284 -328.198 GPRESSURE: 3143000 -487.812 257.297 37.6523 233.078 -302.594 -70.1014 103.315 -17.8842 -314.846 PRESSAVG: 3143000 33.5691 -13.2528 -0.207398 -13.2529 -26.2095 -37.8516 -0.207355 -37.8516 -4.75997 GPRESSAVG: 3143000 33.23 -13.3915 -0.628768 -14.3942 -25.8845 -38.201 -0.826454 -36.4505 -4.21464 TIMING: 3143000 CPU: 9820.29, 0.0031501/step Wall: 9820.29, 0.00315011/step, 1.62493 hours remaining, 234.253906 MB of memory in use. ENERGY: 3143000 4062.9039 20611.9996 14483.0291 238.9243 -203252.8775 2606.2183 0.0000 0.0000 51978.0159 -109271.7864 298.7184 -161249.8023 -108905.3698 299.6591 -401.7561 -368.4174 764330.9919 0.8665 1.0436 PRESSURE: 3143200 48.606 -241.066 -41.1674 -241.066 74.4397 47.9932 -41.1672 47.9923 125.145 GPRESSURE: 3143200 107.033 -221.772 13.734 -234.498 16.9472 -5.40735 92.2416 132.783 200.412 PRESSAVG: 3143200 -9.1757 25.3929 25.8596 25.3929 49.8812 -24.5422 25.8596 -24.5421 -4.08867 GPRESSAVG: 3143200 -7.97979 25.7996 26.0323 26.3425 49.081 -24.9184 24.9582 -23.5461 -4.86688 TIMING: 3143200 CPU: 9820.91, 0.00311802/step Wall: 9820.91, 0.00311802/step, 1.60821 hours remaining, 234.253906 MB of memory in use. ENERGY: 3143200 3969.5454 20586.1169 14562.5053 256.7211 -203962.6247 3061.4653 0.0000 0.0000 52219.3016 -109306.9691 300.1050 -161526.2707 -108952.5310 299.0549 82.7303 108.1309 762065.9249 12.2056 12.0781 PRESSURE: 3143400 -89.3566 -2.66097 -69.9443 -2.66161 -263.353 113.968 -69.9434 113.967 -47.4486 GPRESSURE: 3143400 -21.1205 15.379 -102.569 52.9565 -173.782 135.027 12.3256 168.013 -133.589 PRESSAVG: 3143400 11.1088 6.7708 59.9829 6.77085 -31.253 -58.968 59.983 -58.9681 9.79382 GPRESSAVG: 3143400 10.3325 6.62779 60.3788 4.10179 -29.4273 -57.4203 61.42 -62.847 9.29593 TIMING: 3143400 CPU: 9821.53, 0.00311954/step Wall: 9821.53, 0.00311954/step, 1.60882 hours remaining, 234.253906 MB of memory in use. ENERGY: 3143400 4080.9269 20428.1215 14475.2797 255.4866 -203440.5811 2641.3150 0.0000 0.0000 52398.6489 -109160.8027 301.1358 -161559.4516 -108789.7111 299.5987 -133.3860 -109.4970 764180.7028 -3.4501 -3.2663 PRESSURE: 3143600 -139.213 67.1665 65.8453 67.1662 -1.82279 -164.92 65.8447 -164.92 -188.121 GPRESSURE: 3143600 -196.106 75.1678 52.8977 176.869 28.6766 -94.7634 43.8016 -111.929 -74.981 PRESSAVG: 3143600 6.595 1.06028 -0.37486 1.06022 -30.6865 -41.6497 -0.374851 -41.6497 29.9229 GPRESSAVG: 3143600 6.93263 1.05461 0.809972 3.38078 -31.3208 -41.9282 -1.30954 -40.1778 30.2944 TIMING: 3143600 CPU: 9822.16, 0.00311857/step Wall: 9822.16, 0.00311857/step, 1.60815 hours remaining, 234.253906 MB of memory in use. ENERGY: 3143600 3998.0899 20505.1022 14471.0719 257.2792 -202748.9510 2367.6478 0.0000 0.0000 52003.7830 -109145.9771 298.8665 -161149.7601 -108803.4238 299.7547 -109.7188 -80.8036 763734.9330 1.9438 1.9688 PRESSURE: 3143800 242.354 -17.3657 -256.979 -17.3659 244.572 251.144 -256.98 251.144 42.431 GPRESSURE: 3143800 272.123 -32.4837 -268.219 -149.923 237.548 201.622 -305.404 349.628 83.496 PRESSAVG: 3143800 0.884129 4.33383 51.1005 4.33381 15.9217 -70.7645 51.1005 -70.7644 0.008759 GPRESSAVG: 3143800 0.152616 4.35299 50.5765 4.55509 16.6273 -69.0834 51.0439 -70.4176 -0.133123 TIMING: 3143800 CPU: 9822.78, 0.00313168/step Wall: 9822.78, 0.00313168/step, 1.61473 hours remaining, 234.253906 MB of memory in use. ENERGY: 3143800 3961.2943 20644.7109 14438.4937 256.4908 -203867.1690 3043.7025 0.0000 0.0000 52058.2564 -109464.2204 299.1795 -161522.4768 -109093.5426 299.2860 176.4522 197.7223 762023.7628 5.6048 5.5489 PRESSURE: 3144000 -92.0974 -198.59 -113.066 -198.59 86.3042 -91.2765 -113.066 -91.2768 -48.8918 GPRESSURE: 3144000 -17.6009 -181.801 -102.282 -30.3708 109.127 -34.0785 66.5461 -74.5111 -58.8065 PRESSAVG: 3144000 -8.29594 38.1704 35.444 38.1704 7.83748 -13.2766 35.444 -13.2766 6.83895 GPRESSAVG: 3144000 -10.0239 36.6107 35.2841 37.657 8.08202 -14.8587 34.4463 -13.1097 7.95874 TIMING: 3144000 CPU: 9823.41, 0.00313138/step Wall: 9823.41, 0.00313138/step, 1.6144 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3144000 4070.7917 20553.8863 14478.3376 246.2531 -203691.2270 2764.6705 0.0000 0.0000 52243.3823 -109333.9057 300.2434 -161577.2880 -108966.1468 299.1645 -18.2283 10.9067 761193.8562 2.1268 2.0056 PRESSURE: 3144200 103.59 62.3064 -324.123 62.3069 300.842 83.1125 -324.124 83.1126 706.74 GPRESSURE: 3144200 154.053 1.34315 -344.495 117.75 312.239 80.1941 -258.005 120.44 725.69 PRESSAVG: 3144200 -24.9873 7.6174 29.3315 7.6174 14.6058 -6.82605 29.3315 -6.82609 4.66626 GPRESSAVG: 3144200 -22.963 8.40485 29.3665 6.96019 13.4523 -7.32761 28.7168 -5.77331 3.25958 TIMING: 3144200 CPU: 9824.04, 0.00313583/step Wall: 9824.04, 0.00313583/step, 1.61652 hours remaining, 234.253906 MB of memory in use. ENERGY: 3144200 3996.6856 20441.8357 14455.8132 254.0832 -203672.8975 2836.6051 0.0000 0.0000 52068.9139 -109618.9609 299.2408 -161687.8747 -109251.1985 298.6304 370.3907 397.3272 761306.4441 -1.9051 -2.0837 LDB: ============= START OF LOAD BALANCING ============== 9836.52 LDB: ============== END OF LOAD BALANCING =============== 9836.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9836.52 LDB: ============= START OF LOAD BALANCING ============== 9836.84 LDB: Largest compute 7007 load 0.030834 is 15.8% of average load 0.195093 LDB: Average compute 0.004402 is 2.3% of average load 0.195093 LDB: TIME 9836.84 LOAD: AVG 0.195093 MAX 0.218312 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 9836.84 LOAD: AVG 0.195093 MAX 0.218312 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.258 MB LDB: TIME 9836.84 LOAD: AVG 0.195093 MAX 0.215712 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.258 MB LDB: ============== END OF LOAD BALANCING =============== 9836.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9836.85 PRESSURE: 3144400 -104.221 -126.735 -246.281 -126.734 108.842 59.2651 -246.28 59.2653 -382.527 GPRESSURE: 3144400 10.9815 -41.53 -295.146 -8.57962 0.586495 -5.18852 -196.193 155.002 -317.493 PRESSAVG: 3144400 -69.6392 5.3993 -20.2579 5.39937 68.9076 43.7824 -20.2578 43.7825 -7.68886 GPRESSAVG: 3144400 -70.5765 6.55521 -21.239 5.61906 68.6444 45.5763 -20.5894 44.0491 -6.79538 TIMING: 3144400 CPU: 9824.68, 0.00321438/step Wall: 9824.68, 0.00321438/step, 1.65683 hours remaining, 235.535156 MB of memory in use. ENERGY: 3144400 4105.6927 20499.2034 14367.2455 249.8648 -203189.9892 2527.5795 0.0000 0.0000 51982.0515 -109458.3519 298.7416 -161440.4034 -109102.1385 298.6989 -125.9685 -101.9749 763583.8270 -2.8068 -2.9092 PRESSURE: 3144600 -6.69829 173.569 74.3293 173.568 -169.51 -116.786 74.3282 -116.787 -215.849 GPRESSURE: 3144600 109.561 44.4428 73.3025 150.614 -234.233 -9.07905 232.001 -19.5667 -184.095 PRESSAVG: 3144600 7.99968 43.3813 -27.4033 43.3813 -2.23442 28.7508 -27.4033 28.7508 22.0232 GPRESSAVG: 3144600 9.30019 41.9031 -27.1919 43.3354 -3.10715 28.3586 -26.9053 28.551 21.744 TIMING: 3144600 CPU: 9825.31, 0.00313194/step Wall: 9825.31, 0.00313194/step, 1.61417 hours remaining, 235.535156 MB of memory in use. ENERGY: 3144600 3961.0221 20574.4631 14484.4545 250.0833 -204030.3051 2958.2706 0.0000 0.0000 52074.3736 -109727.6379 299.2721 -161802.0115 -109362.3652 298.8109 -130.6859 -102.9225 760719.2392 9.2628 9.3124 PRESSURE: 3144800 -27.0965 56.4607 -66.5793 56.461 -340.503 15.3215 -66.579 15.3226 -83.4615 GPRESSURE: 3144800 -72.6244 84.0613 -11.8742 128.466 -249.953 32.9364 -12.0082 -108.268 -48.2943 PRESSAVG: 3144800 -16.0607 25.5338 20.1476 25.5338 43.9156 -4.889 20.1477 -4.88904 -3.99007 GPRESSAVG: 3144800 -17.7804 26.3356 19.5156 23.9632 45.4818 -4.75656 21.5776 -6.35111 -3.52744 TIMING: 3144800 CPU: 9825.94, 0.00313982/step Wall: 9825.94, 0.00313982/step, 1.61805 hours remaining, 235.535156 MB of memory in use. ENERGY: 3144800 4034.1227 20504.4759 14490.7381 245.9500 -203528.8585 2623.8795 0.0000 0.0000 52057.5662 -109572.1260 299.1755 -161629.6923 -109203.3975 298.8192 -150.3537 -123.6240 761769.4433 7.9549 8.0580 PRESSURE: 3145000 -209.069 -54.7663 231.866 -54.7658 197.871 -155.467 231.866 -155.467 -486.906 GPRESSURE: 3145000 -167.46 104.069 172.568 55.4783 174.051 -120.381 206.953 -94.8171 -410.972 PRESSAVG: 3145000 -41.1376 -25.6497 31.061 -25.6497 62.7763 -23.3178 31.061 -23.3178 13.943 GPRESSAVG: 3145000 -39.9206 -26.2431 31.7548 -25.9073 62.1223 -25.5524 30.5337 -21.941 13.3709 TIMING: 3145000 CPU: 9826.56, 0.00312319/step Wall: 9826.56, 0.00312319/step, 1.60931 hours remaining, 235.535156 MB of memory in use. ENERGY: 3145000 4074.7216 20641.3820 14508.5959 266.5814 -203487.1423 2477.7637 0.0000 0.0000 51866.7806 -109651.3170 298.0791 -161518.0976 -109301.7188 298.8569 -166.0349 -134.7933 760388.1003 11.8606 11.8575 PRESSURE: 3145200 -288.132 191.052 144.315 191.053 -358.307 -135.284 144.313 -135.284 -275.597 GPRESSURE: 3145200 -134.922 221.459 112.251 155.735 -357.424 -173.416 149.84 -52.8294 -334.087 PRESSAVG: 3145200 7.89106 13.5881 23.0017 13.5881 -17.4304 -38.2882 23.0018 -38.2882 20.2855 GPRESSAVG: 3145200 7.6561 12.5515 23.3887 14.8972 -17.9531 -36.2146 22.0315 -38.4183 20.4559 TIMING: 3145200 CPU: 9827.19, 0.00313266/step Wall: 9827.19, 0.00313266/step, 1.61401 hours remaining, 235.535156 MB of memory in use. ENERGY: 3145200 4028.2613 20557.8200 14460.3565 247.3524 -203180.3074 2368.2119 0.0000 0.0000 52118.3966 -109399.9087 299.5251 -161518.3053 -109032.7610 298.7234 -307.3453 -275.4780 760877.9102 3.5821 3.3863 PRESSURE: 3145400 -71.6627 7.04091 104.466 7.04236 -191.221 106.222 104.466 106.22 71.4017 GPRESSURE: 3145400 -89.2932 82.2006 141.017 -51.6346 -108.805 -9.04272 66.3624 85.3211 85.4051 PRESSAVG: 3145400 26.555 29.8905 39.2668 29.8904 -11.1125 -49.2646 39.2669 -49.2647 8.03483 GPRESSAVG: 3145400 26.2116 29.5067 39.3732 29.7846 -10.5435 -49.3309 39.3353 -50.072 7.5699 TIMING: 3145400 CPU: 9827.81, 0.00312755/step Wall: 9827.81, 0.00312755/step, 1.61121 hours remaining, 235.535156 MB of memory in use. ENERGY: 3145400 4047.7180 20574.0280 14507.5258 255.6474 -203733.7053 2792.7724 0.0000 0.0000 52304.3265 -109251.6871 300.5937 -161556.0136 -108886.4021 299.6956 -63.8275 -37.5645 760914.9888 7.8258 7.7460 PRESSURE: 3145600 -189.236 78.0256 -85.3504 78.0268 -190.609 181.354 -85.3511 181.354 417.088 GPRESSURE: 3145600 -67.953 7.84686 -109.121 131.04 -189.629 161.425 -1.20509 153.924 375.57 PRESSAVG: 3145600 -1.01956 -6.7674 19.3061 -6.76736 -22.3745 -15.9915 19.3061 -15.9916 6.9072 GPRESSAVG: 3145600 -1.09662 -6.058 19.1877 -6.24274 -22.8867 -17.9012 21.118 -14.598 7.63287 TIMING: 3145600 CPU: 9828.44, 0.00313361/step Wall: 9828.44, 0.00313361/step, 1.61416 hours remaining, 235.535156 MB of memory in use. ENERGY: 3145600 4068.4872 20646.8256 14402.8081 229.9878 -203441.6939 2861.1158 0.0000 0.0000 52011.5623 -109220.9070 298.9112 -161232.4693 -108855.2279 299.4374 12.4142 39.3294 763678.4622 -5.4956 -5.4501 PRESSURE: 3145800 264.291 194.817 31.4393 194.816 246.236 -181.084 31.4389 -181.084 -91.0083 GPRESSURE: 3145800 279.68 231.949 105.644 107.486 280.958 -199.505 100.921 -208.051 -75.6605 PRESSAVG: 3145800 43.7484 46.7288 18.8115 46.7289 -45.265 15.155 18.8115 15.155 -18.3274 GPRESSAVG: 3145800 43.867 47.0454 18.8527 46.8951 -45.0622 15.311 17.5237 14.672 -18.6873 TIMING: 3145800 CPU: 9829.07, 0.00315899/step Wall: 9829.07, 0.00315899/step, 1.62706 hours remaining, 235.656250 MB of memory in use. ENERGY: 3145800 4111.3378 20515.3082 14472.7035 276.1310 -203121.6752 2807.8513 0.0000 0.0000 51852.8890 -109085.4545 297.9993 -160938.3435 -108736.1346 299.7221 139.8395 161.6590 764175.5128 -6.6146 -6.6275 PRESSURE: 3146000 72.9823 182.238 13.5493 182.237 -430.181 -47.1239 13.5493 -47.1236 -204.032 GPRESSURE: 3146000 124.312 126.517 -56.8949 294.627 -405.625 -58.0078 2.66373 -4.27268 -196.863 PRESSAVG: 3146000 19.1158 36.1139 -28.8642 36.1139 8.56089 -6.10601 -28.8642 -6.106 -13.8986 GPRESSAVG: 3146000 17.9692 36.0789 -29.4945 33.8101 10.0324 -3.76791 -29.7682 -7.44302 -14.3457 TIMING: 3146000 CPU: 9829.7, 0.00315244/step Wall: 9829.7, 0.00315244/step, 1.62351 hours remaining, 235.656250 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: 3146000 3978.7988 20498.4546 14597.5326 248.0132 -203190.8600 2634.0509 0.0000 0.0000 52007.8790 -109226.1308 298.8900 -161234.0099 -108862.4927 299.3297 -187.0770 -159.3921 763213.7835 4.5927 4.5519 PRESSURE: 3146200 153.508 108.217 62.3223 108.217 290.778 -50.6969 62.3227 -50.6973 124.417 GPRESSURE: 3146200 159.773 173.47 115.869 200.925 290.823 -123.74 103.466 -32.988 194.914 PRESSAVG: 3146200 -3.16746 46.0837 -26.6072 46.0837 12.4224 28.5883 -26.6071 28.5883 -1.47458 GPRESSAVG: 3146200 -3.5561 44.3459 -26.4344 48.0574 12.7015 27.0731 -25.7432 29.7576 -0.957553 TIMING: 3146200 CPU: 9830.33, 0.0031495/step Wall: 9830.33, 0.0031495/step, 1.62182 hours remaining, 235.656250 MB of memory in use. ENERGY: 3146200 3902.2512 20585.9799 14451.6248 252.5017 -203290.2847 2585.2125 0.0000 0.0000 51935.4095 -109577.3051 298.4735 -161512.7146 -109207.6156 299.1878 189.5677 215.1699 762073.1002 2.5934 2.7293 PRESSURE: 3146400 82.372 55.3018 -42.0896 55.3024 214.614 -3.65282 -42.0901 -3.653 -110.724 GPRESSURE: 3146400 187.479 -44.4603 -62.7312 -21.3547 236.497 -145 -14.9091 13.528 -168.657 PRESSAVG: 3146400 12.35 30.1878 3.42144 30.1879 -30.1704 -28.3545 3.42136 -28.3545 -6.14713 GPRESSAVG: 3146400 14.5624 31.2259 5.27137 30.1371 -31.6055 -30.0955 1.38524 -28.2204 -7.03959 TIMING: 3146400 CPU: 9830.96, 0.00313261/step Wall: 9830.96, 0.00313261/step, 1.61295 hours remaining, 235.656250 MB of memory in use. ENERGY: 3146400 3897.3216 20637.8822 14396.4949 243.3437 -203324.3152 2603.5491 0.0000 0.0000 51896.9685 -109648.7552 298.2526 -161545.7237 -109291.3405 298.2918 62.0874 85.1066 761833.9162 -7.9892 -8.0276 PRESSURE: 3146600 -129.953 -184.552 137.975 -184.552 133.587 128.376 137.975 128.376 134.998 GPRESSURE: 3146600 -91.7231 -167.621 79.3859 -169.603 152.771 43.5679 178.536 138.061 140.584 PRESSAVG: 3146600 -45.5216 -5.86597 13.4051 -5.86596 66.8729 25.2717 13.4051 25.2717 7.9503 GPRESSAVG: 3146600 -47.6838 -5.07238 11.8237 -5.09837 68.9079 27.6617 14.7632 24.4707 8.11441 TIMING: 3146600 CPU: 9831.59, 0.00314046/step Wall: 9831.59, 0.00314046/step, 1.61681 hours remaining, 235.656250 MB of memory in use. ENERGY: 3146600 3934.2244 20615.8504 14497.5059 241.0346 -203707.9851 2943.9350 0.0000 0.0000 51743.9144 -109731.5205 297.3730 -161475.4349 -109382.3118 298.0588 46.2104 67.2107 762364.8314 9.7672 9.7795 PRESSURE: 3146800 -39.1276 -86.8706 -14.2878 -86.8708 252.907 -0.967442 -14.2882 -0.968398 -137.815 GPRESSURE: 3146800 -15.1607 -141.607 88.9129 -31.3897 284.669 8.05132 51.656 10.9225 -94.0842 PRESSAVG: 3146800 -31.4828 6.72208 23.346 6.72214 64.9739 -54.9936 23.346 -54.9936 -0.436124 GPRESSAVG: 3146800 -31.0876 5.40131 24.044 6.656 64.1822 -54.9483 22.8727 -57.301 0.0795441 TIMING: 3146800 CPU: 9832.21, 0.00314542/step Wall: 9832.21, 0.00314542/step, 1.61919 hours remaining, 235.656250 MB of memory in use. ENERGY: 3146800 3920.3536 20427.4362 14458.1041 243.1280 -203363.1518 2585.8866 0.0000 0.0000 51772.7710 -109955.4724 297.5388 -161728.2433 -109597.3020 297.7931 25.3215 58.4746 760192.2418 11.0183 11.0580 PRESSURE: 3147000 -79.6615 -64.1579 -143.176 -64.1574 -148.31 -251.313 -143.176 -251.312 26.3485 GPRESSURE: 3147000 -47.6025 -115.022 -138.192 23.8501 -102.181 -250.063 -185.822 -197.897 40.1433 PRESSAVG: 3147000 18.8138 -14.3006 24.3505 -14.3006 -3.13552 -19.597 24.3505 -19.5971 -5.33481 GPRESSAVG: 3147000 19.8592 -14.4583 24.1857 -14.7453 -4.23578 -20.5467 23.7298 -16.164 -5.69009 TIMING: 3147000 CPU: 9832.84, 0.00314493/step Wall: 9832.84, 0.00314493/step, 1.61877 hours remaining, 235.656250 MB of memory in use. ENERGY: 3147000 3937.9594 20503.9850 14489.0857 238.6260 -203446.2361 2559.8699 0.0000 0.0000 51840.5291 -109876.1810 297.9282 -161716.7101 -109516.7381 297.7884 -67.2075 -36.5469 761338.0470 3.4478 3.3111 PRESSURE: 3147200 -177.95 -48.4117 105.387 -48.4103 161.003 239.962 105.386 239.962 -230.182 GPRESSURE: 3147200 -174.656 -2.279 41.8856 -68.9895 136.821 232.652 133.167 94.4255 -125.517 PRESSAVG: 3147200 30.8266 -29.6061 15.6704 -29.6061 -4.89628 16.6166 15.6704 16.6166 28.5615 GPRESSAVG: 3147200 29.6679 -29.6126 15.5436 -29.6887 -5.15026 16.3801 17.8461 16.185 29.8028 TIMING: 3147200 CPU: 9833.48, 0.00315925/step Wall: 9833.48, 0.00315925/step, 1.62596 hours remaining, 235.656250 MB of memory in use. ENERGY: 3147200 3993.0832 20354.1086 14483.5711 226.9052 -203511.5887 2641.0515 0.0000 0.0000 51868.2598 -109944.6093 298.0876 -161812.8692 -109575.5160 298.4166 -82.3762 -54.4504 761527.1840 18.1639 18.1068 PRESSURE: 3147400 6.75382 -81.1765 -4.77946 -81.1763 -1.96692 -78.6585 -4.77936 -78.6582 363.52 GPRESSURE: 3147400 -33.3303 47.4084 95.6559 -33.2054 98.7965 25.8128 21.6734 -20.4142 358.541 PRESSAVG: 3147400 15.9679 32.4063 84.3254 32.4062 -10.2702 -3.35053 84.3253 -3.35044 22.0011 GPRESSAVG: 3147400 15.9076 34.621 85.8812 33.0137 -8.268 -1.52369 84.3609 -5.52665 20.0057 TIMING: 3147400 CPU: 9834.1, 0.0031309/step Wall: 9834.1, 0.00313091/step, 1.6112 hours remaining, 235.656250 MB of memory in use. ENERGY: 3147400 3938.5677 20524.7265 14434.1261 250.9459 -203861.7387 2809.9068 0.0000 0.0000 51860.8705 -110042.5953 298.0451 -161903.4658 -109688.5692 298.0178 122.7691 141.3359 760279.0527 9.2329 9.2151 PRESSURE: 3147600 183.291 36.3668 -94.5803 36.3675 71.4194 188.752 -94.5808 188.752 166.154 GPRESSURE: 3147600 233.987 34.8356 -137.106 26.1389 145.246 203.048 -82.085 120.861 136.496 PRESSAVG: 3147600 -30.0907 29.3928 45.9288 29.3928 24.7883 16.2803 45.9288 16.2802 6.50439 GPRESSAVG: 3147600 -31.3112 30.371 44.4325 27.3642 24.2088 15.098 46.3211 17.3668 7.93761 TIMING: 3147600 CPU: 9834.73, 0.00312284/step Wall: 9834.73, 0.00312284/step, 1.60687 hours remaining, 235.656250 MB of memory in use. ENERGY: 3147600 4042.8549 20433.4925 14343.6566 251.9145 -203956.1198 3044.7912 0.0000 0.0000 51816.1250 -110023.2851 297.7880 -161839.4101 -109671.3755 297.6298 140.2882 171.9096 760247.3526 0.4007 0.2784 PRESSURE: 3147800 191.584 8.12586 248.275 8.12554 321.319 -244.295 248.275 -244.294 345.161 GPRESSURE: 3147800 251.04 -7.54172 212.891 -63.3064 342.773 -204.53 245.977 -211.066 343.381 PRESSAVG: 3147800 -50.9433 12.1133 9.22396 12.1133 39.9196 -27.2521 9.22397 -27.252 29.2695 GPRESSAVG: 3147800 -50.3809 10.7914 9.66255 13.2527 40.9663 -26.9269 7.07202 -27.4516 28.1551 TIMING: 3147800 CPU: 9835.35, 0.00313715/step Wall: 9835.35, 0.00313715/step, 1.61406 hours remaining, 235.656250 MB of memory in use. ENERGY: 3147800 3987.4984 20312.8139 14464.4283 239.7157 -203948.6933 3095.8706 0.0000 0.0000 51868.6365 -109979.7299 298.0898 -161848.3665 -109610.9916 297.4336 286.0213 312.3981 760991.1076 6.0819 6.2468 PRESSURE: 3148000 164.773 -50.349 225.256 -50.3491 70.515 -66.9101 225.256 -66.9105 186.169 GPRESSURE: 3148000 131.208 -16.2067 236.379 -20.5181 104.615 -165.474 173.148 -65.3677 253.08 PRESSAVG: 3148000 -25.1632 -2.56928 10.4779 -2.56926 1.65062 6.90475 10.478 6.90474 0.636871 GPRESSAVG: 3148000 -25.4466 -1.57682 10.7377 -2.34686 2.6285 5.84304 9.4545 7.50658 0.460808 TIMING: 3148000 CPU: 9835.98, 0.003131/step Wall: 9835.98, 0.003131/step, 1.61073 hours remaining, 235.859375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3148000 3947.0767 20510.9749 14410.3279 239.2710 -203237.3876 2574.6179 0.0000 0.0000 51772.0261 -109783.0931 297.5345 -161555.1192 -109421.2375 297.5604 140.4854 162.9678 760477.6875 -7.6252 -7.4524 PRESSURE: 3148200 84.8544 38.4739 27.7633 38.4746 -50.54 -85.3214 27.7641 -85.3209 528.409 GPRESSURE: 3148200 129.109 7.97965 53.9543 123.745 23.7547 -66.0291 119.365 76.4486 514.647 PRESSAVG: 3148200 -0.133276 -18.9315 -6.95395 -18.9315 8.54399 15.1895 -6.95393 15.1896 9.5415 GPRESSAVG: 3148200 0.941159 -17.8125 -6.74634 -22.0367 7.40599 15.2338 -6.21132 16.2007 9.80492 TIMING: 3148200 CPU: 9836.61, 0.00312832/step Wall: 9836.61, 0.00312832/step, 1.60917 hours remaining, 235.859375 MB of memory in use. ENERGY: 3148200 3961.1225 20424.5577 14352.6086 237.9668 -203159.9627 2620.3732 0.0000 0.0000 51952.4357 -109610.8981 298.5714 -161563.3338 -109252.5682 298.2641 187.5745 222.5034 760821.8126 5.9841 6.0507 LDB: ============= START OF LOAD BALANCING ============== 9849.08 LDB: ============== END OF LOAD BALANCING =============== 9849.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9849.09 LDB: ============= START OF LOAD BALANCING ============== 9849.4 LDB: Largest compute 6996 load 0.029811 is 15.3% of average load 0.195123 LDB: Average compute 0.004398 is 2.3% of average load 0.195123 LDB: TIME 9849.4 LOAD: AVG 0.195123 MAX 0.216326 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.051 MB LDB: TIME 9849.4 LOAD: AVG 0.195123 MAX 0.216326 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.055 MB LDB: TIME 9849.4 LOAD: AVG 0.195123 MAX 0.216326 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.055 MB LDB: ============== END OF LOAD BALANCING =============== 9849.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9849.41 PRESSURE: 3148400 -125.559 -45.9091 134.576 -45.9085 100.118 221.834 134.575 221.834 244.422 GPRESSURE: 3148400 -71.3049 56.7332 221.771 -188.028 60.0512 249.696 119.354 281.049 315.16 PRESSAVG: 3148400 -38.0381 -7.61836 -39.2553 -7.61833 27.2055 -28.2388 -39.2553 -28.2389 18.3857 GPRESSAVG: 3148400 -38.605 -9.50148 -39.5178 -5.5364 26.5561 -28.8972 -38.1779 -27.0173 19.886 TIMING: 3148400 CPU: 9837.25, 0.00320038/step Wall: 9837.25, 0.00320038/step, 1.64606 hours remaining, 235.851562 MB of memory in use. ENERGY: 3148400 3959.5616 20399.1177 14504.0125 278.4833 -203706.8392 3055.5350 0.0000 0.0000 51849.3117 -109660.8175 297.9787 -161510.1292 -109302.3197 298.0482 72.9935 101.3022 763718.6319 2.5177 2.6124 PRESSURE: 3148600 -131.903 30.4562 124.257 30.456 -96.0919 172.335 124.256 172.335 566.901 GPRESSURE: 3148600 -161.904 -22.4873 110.327 7.81944 42.4973 150.733 8.70192 197.102 529.582 PRESSAVG: 3148600 -17.9593 12.9726 11.2471 12.9727 -30.6143 8.29258 11.2471 8.29261 -32.7943 GPRESSAVG: 3148600 -18.11 12.9243 11.9334 12.1875 -29.5903 8.65545 10.886 6.53354 -34.0536 TIMING: 3148600 CPU: 9837.87, 0.00313638/step Wall: 9837.87, 0.00313638/step, 1.61297 hours remaining, 236.054688 MB of memory in use. ENERGY: 3148600 3945.4449 20370.8595 14461.1165 241.5836 -203655.0681 2973.7333 0.0000 0.0000 52063.6981 -109598.6323 299.2108 -161662.3304 -109233.9213 298.1116 112.9686 136.7251 760108.8891 -27.1226 -27.2513 PRESSURE: 3148800 -86.8872 -76.2739 26.9058 -76.2736 12.9006 -39.6347 26.9061 -39.6345 -108.367 GPRESSURE: 3148800 -97.6731 -47.8562 0.998025 -8.40215 28.0627 -17.0956 -70.1192 -44.5684 -52.7378 PRESSAVG: 3148800 18.3686 -27.2542 -57.3254 -27.2541 -3.77447 66.7744 -57.3254 66.7745 29.5507 GPRESSAVG: 3148800 18.0916 -27.9835 -56.9157 -24.9437 -4.26161 67.1355 -58.4872 65.8241 30.1662 TIMING: 3148800 CPU: 9838.5, 0.00313622/step Wall: 9838.5, 0.00313622/step, 1.61272 hours remaining, 236.054688 MB of memory in use. ENERGY: 3148800 3984.3838 20435.3171 14444.5738 262.8431 -202960.6079 2453.9709 0.0000 0.0000 51587.7928 -109791.7262 296.4758 -161379.5190 -109428.1446 298.1638 -60.7845 -40.7827 762289.2647 14.7149 14.6654 PRESSURE: 3149000 -173.651 334.179 60.6995 334.179 -187.865 -69.512 60.6995 -69.5116 -106.864 GPRESSURE: 3149000 -145.909 251.08 74.0144 204.869 -49.4004 -55.7488 -46.8976 -45.5202 -200.541 PRESSAVG: 3149000 -10.7443 28.4543 -49.5479 28.4543 -14.8655 -21.4739 -49.548 -21.4739 -20.2082 GPRESSAVG: 3149000 -11.3545 27.2181 -50.2522 28.119 -14.9871 -22.0944 -49.7031 -22.5082 -19.6468 TIMING: 3149000 CPU: 9839.13, 0.00315368/step Wall: 9839.13, 0.00315368/step, 1.62152 hours remaining, 236.054688 MB of memory in use. ENERGY: 3149000 4064.8420 20432.7432 14521.2981 236.7018 -203691.4651 2890.3993 0.0000 0.0000 51834.2930 -109711.1877 297.8924 -161545.4807 -109351.2174 297.9333 -156.1267 -131.9503 762410.6785 -15.2727 -15.3295 PRESSURE: 3149200 70.2885 -176.476 43.1553 -176.475 -193.38 -178.967 43.1555 -178.969 159.251 GPRESSURE: 3149200 60.7076 -158.936 96.2487 -169.61 -114.648 -89.0911 69.3675 -169.003 204.858 PRESSAVG: 3149200 -28.2797 24.6726 -48.977 24.6727 35.5832 -81.5043 -48.977 -81.5042 16.2151 GPRESSAVG: 3149200 -27.7507 24.7974 -50.0522 25.2498 35.8843 -80.4616 -46.9493 -79.7808 15.7878 TIMING: 3149200 CPU: 9839.76, 0.00313564/step Wall: 9839.76, 0.00313564/step, 1.61207 hours remaining, 236.054688 MB of memory in use. ENERGY: 3149200 3991.2583 20597.2889 14367.1032 258.5372 -203631.5110 2775.1457 0.0000 0.0000 51606.5869 -110035.5909 296.5838 -161642.1777 -109682.3441 298.1290 12.0533 50.3061 761767.2416 7.8395 7.9738 PRESSURE: 3149400 283.129 91.8646 -21.7956 91.8645 468.255 -11.0565 -21.7952 -11.0553 -330.642 GPRESSURE: 3149400 385.927 -68.765 -66.9145 98.4463 345.577 35.5217 78.0448 -47.5815 -223.254 PRESSAVG: 3149400 -28.5523 22.6463 -10.6635 22.6462 6.33109 -25.158 -10.6635 -25.158 -18.9423 GPRESSAVG: 3149400 -28.3286 24.1843 -9.31496 21.8852 6.27729 -24.7427 -9.62814 -26.6614 -18.7876 TIMING: 3149400 CPU: 9840.39, 0.00313746/step Wall: 9840.39, 0.00313746/step, 1.61283 hours remaining, 236.054688 MB of memory in use. ENERGY: 3149400 4041.4897 20390.7019 14424.2183 246.5437 -203776.7024 2934.7660 0.0000 0.0000 52039.7571 -109699.2258 299.0732 -161738.9828 -109345.1903 298.2211 140.2472 169.4165 760236.8162 -13.7212 -13.6130 PRESSURE: 3149600 -51.7231 55.2515 -18.1216 55.2516 -173.923 144.767 -18.1207 144.767 -439.452 GPRESSURE: 3149600 -94.9451 0.0589301 -35.8613 76.2731 -92.1745 97.9602 -153.493 148.834 -374.261 PRESSAVG: 3149600 -5.44085 42.7808 -0.505369 42.7809 10.8336 39.1668 -0.505359 39.1668 4.55808 GPRESSAVG: 3149600 -5.04622 42.4854 -0.303202 40.1046 11.2288 39.3626 -2.76523 37.5299 3.70167 TIMING: 3149600 CPU: 9841.01, 0.00313936/step Wall: 9841.01, 0.00313936/step, 1.61363 hours remaining, 236.054688 MB of memory in use. ENERGY: 3149600 3983.8634 20438.5843 14419.1194 226.9846 -203314.3334 2650.6622 0.0000 0.0000 51797.4811 -109797.6385 297.6808 -161595.1196 -109431.2301 298.3587 -221.6995 -187.1270 764014.3706 3.3169 3.2948 PRESSURE: 3149800 -175.695 33.0499 124.872 33.0502 -12.9413 23.1865 124.872 23.1853 2.74176 GPRESSURE: 3149800 -92.351 50.1793 119.837 7.98329 -11.4683 -8.78239 46.4927 105.002 12.8348 PRESSAVG: 3149800 39.2569 32.7887 -11.5985 32.7886 -35.5871 -8.81972 -11.5984 -8.81967 -8.51724 GPRESSAVG: 3149800 38.3246 35.6547 -12.4262 34.2746 -35.4739 -8.64551 -13.3616 -6.63499 -8.36008 TIMING: 3149800 CPU: 9841.64, 0.00314258/step Wall: 9841.64, 0.00314258/step, 1.61511 hours remaining, 236.054688 MB of memory in use. ENERGY: 3149800 3949.2441 20482.1517 14384.0784 258.7984 -203770.5268 3054.1105 0.0000 0.0000 51773.5045 -109868.6392 297.5430 -161642.1437 -109505.2660 297.4946 -61.9648 -30.3281 760743.3233 -1.6158 -1.8365 PRESSURE: 3150000 228.694 16.6269 -31.4323 16.6268 285.197 3.43483 -31.4322 3.4344 -77.9254 GPRESSURE: 3150000 231.802 9.72624 -30.5954 50.0605 351.633 -64.0047 -34.7853 13.8955 -42.9177 PRESSAVG: 3150000 -24.3111 25.3901 40.6182 25.3902 45.7988 -53.7039 40.6182 -53.7039 11.5622 GPRESSAVG: 3150000 -23.6546 21.5151 41.1147 26.7948 44.2239 -56.0027 41.7198 -53.2151 12.1756 TIMING: 3150000 CPU: 9842.27, 0.00315398/step Wall: 9842.27, 0.00315398/step, 1.62079 hours remaining, 236.054688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3150000 3961.8825 20497.3269 14416.9577 236.3421 -203535.6782 3026.5600 0.0000 0.0000 51731.6520 -109664.9570 297.3025 -161396.6090 -109305.0747 298.4627 145.3219 180.1727 762732.4236 11.0166 10.9150 PRESSURE: 3150200 -249.217 2.80776 62.975 2.80783 393.897 -112.131 62.9751 -112.131 298.216 GPRESSURE: 3150200 -101.522 39.6326 115.956 -0.0351349 280.475 -137.254 -18.3784 -270.476 332.223 PRESSAVG: 3150200 -6.02869 31.8032 -51.25 31.8032 35.3665 -48.5022 -51.25 -48.5023 29.9315 GPRESSAVG: 3150200 -6.78024 31.0611 -50.9584 30.5943 36.5581 -48.1435 -53.2317 -49.5886 29.5954 TIMING: 3150200 CPU: 9842.9, 0.00313413/step Wall: 9842.9, 0.00313413/step, 1.61042 hours remaining, 236.054688 MB of memory in use. ENERGY: 3150200 3985.2674 20464.1887 14420.4468 251.4900 -203896.7684 3183.1239 0.0000 0.0000 51921.1848 -109671.0668 298.3918 -161592.2516 -109313.4164 298.7891 147.6321 170.3917 763105.5485 19.7565 19.7911 PRESSURE: 3150400 -202.532 -191.428 -52.3234 -191.428 180.389 55.9108 -52.3237 55.9098 -174.977 GPRESSURE: 3150400 -128.743 -127.537 19.7065 -119.497 122.755 62.4105 36.1481 66.767 -108.042 PRESSAVG: 3150400 25.2603 -23.9147 -12.3511 -23.9147 -37.5637 -8.84583 -12.3512 -8.84588 -1.48481 GPRESSAVG: 3150400 25.1737 -20.6619 -13.9726 -23.8923 -39.4561 -7.63509 -9.65679 -7.868 0.198718 TIMING: 3150400 CPU: 9843.53, 0.0031369/step Wall: 9843.53, 0.0031369/step, 1.61167 hours remaining, 236.054688 MB of memory in use. ENERGY: 3150400 3853.4262 20540.2813 14424.6967 248.9702 -203464.9966 2780.0080 0.0000 0.0000 52032.7301 -109584.8843 299.0328 -161617.6143 -109224.4499 298.1637 -65.7067 -38.0100 763235.8713 -4.5961 -4.6946 PRESSURE: 3150600 -261.687 -148.999 75.0954 -148.998 -438.71 58.4971 75.0958 58.4977 -368.403 GPRESSURE: 3150600 -239.061 -229.467 185.489 -96.3043 -403.147 -20.0579 152.056 19.0503 -324.672 PRESSAVG: 3150600 13.2395 -4.75676 -17.944 -4.75676 -60.6761 0.0930707 -17.944 0.093002 10.9856 GPRESSAVG: 3150600 13.4065 -8.11449 -15.9189 -3.08542 -58.7029 -1.11879 -19.5479 0.980048 8.92695 TIMING: 3150600 CPU: 9844.16, 0.00314681/step Wall: 9844.16, 0.00314681/step, 1.61659 hours remaining, 236.054688 MB of memory in use. ENERGY: 3150600 3970.2199 20466.6636 14418.5118 266.4234 -203307.7744 2483.4061 0.0000 0.0000 51841.5874 -109860.9622 297.9343 -161702.5496 -109496.4340 298.3313 -356.2666 -322.2931 763142.9195 -12.1504 -12.1231 PRESSURE: 3150800 -34.3052 125.686 92.2744 125.688 -167.04 281.893 92.2748 281.893 110.855 GPRESSURE: 3150800 -0.469807 52.4596 27.3396 125.451 -118.34 218.348 24.2303 328.898 106.852 PRESSAVG: 3150800 27.2087 -32.5316 10.4051 -32.5316 -25.2112 -24.652 10.4051 -24.652 11.3637 GPRESSAVG: 3150800 26.9143 -33.6637 10.624 -32.5844 -24.2263 -24.2525 10.2315 -25.8478 10.6031 TIMING: 3150800 CPU: 9844.78, 0.00314137/step Wall: 9844.78, 0.00314137/step, 1.61362 hours remaining, 236.054688 MB of memory in use. ENERGY: 3150800 4012.5950 20415.8131 14405.9436 229.0869 -203963.0180 3081.0480 0.0000 0.0000 51833.7442 -109984.7871 297.8892 -161818.5313 -109619.3958 297.7788 -30.1631 -3.9862 763189.9496 4.4537 4.4304 PRESSURE: 3151000 -101.932 81.6476 49.3716 81.6474 501.556 75.7094 49.3703 75.7095 356.463 GPRESSURE: 3151000 -13.3934 94.9042 61.0379 -97.8749 434.8 37.0333 102.959 162.66 416.388 PRESSAVG: 3151000 -26.6556 -10.0236 -39.3205 -10.0236 46.3014 -6.39889 -39.3205 -6.39885 9.54877 GPRESSAVG: 3151000 -25.6923 -9.29376 -39.9231 -11.5509 45.0557 -5.98319 -38.7807 -5.63862 10.2087 TIMING: 3151000 CPU: 9845.41, 0.00312173/step Wall: 9845.41, 0.00312173/step, 1.60335 hours remaining, 236.054688 MB of memory in use. ENERGY: 3151000 3936.3381 20471.5921 14426.2014 246.4060 -203823.0691 2995.6373 0.0000 0.0000 52038.9060 -109707.9880 299.0683 -161746.8940 -109345.9057 298.3042 252.0288 279.2649 760395.1158 9.7315 9.8574 PRESSURE: 3151200 -112.107 149.441 -289.805 149.44 115.106 -147.578 -289.804 -147.576 244.417 GPRESSURE: 3151200 -21.3877 138.173 -190.892 264.673 139.789 -50.6853 -237.654 -155.8 202.517 PRESSAVG: 3151200 44.3097 -26.8938 14.0453 -26.8938 13.688 14.7442 14.0453 14.7443 22.8572 GPRESSAVG: 3151200 45.6242 -26.2065 13.385 -25.0632 12.6641 16.3965 14.2797 12.0842 21.9359 TIMING: 3151200 CPU: 9846.04, 0.00315654/step Wall: 9846.04, 0.00315655/step, 1.62106 hours remaining, 236.054688 MB of memory in use. ENERGY: 3151200 3929.5158 20580.9143 14459.3898 266.8612 -203704.8747 2968.8997 0.0000 0.0000 51796.2332 -109703.0608 297.6737 -161499.2940 -109351.3014 298.3672 82.4724 106.9728 763170.0234 26.9516 26.7414 PRESSURE: 3151400 -332.954 213.672 301.643 213.671 -275.371 37.4663 301.643 37.467 -196.049 GPRESSURE: 3151400 -278.309 164.454 194.288 198.853 -165.691 117.154 224.388 143.046 -290.118 PRESSAVG: 3151400 -20.8519 -16.1213 -43.3697 -16.1212 19.5815 28.7451 -43.3697 28.7451 -27.548 GPRESSAVG: 3151400 -22.4173 -15.4092 -43.9469 -17.6769 20.9864 27.5244 -42.4606 30.6447 -27.5775 TIMING: 3151400 CPU: 9846.67, 0.00315439/step Wall: 9846.67, 0.00315439/step, 1.61978 hours remaining, 236.054688 MB of memory in use. ENERGY: 3151400 3998.8307 20414.6202 14461.8393 256.0100 -203556.9415 2849.0849 0.0000 0.0000 52014.7296 -109561.8269 298.9294 -161576.5565 -109200.1256 298.4651 -268.1247 -244.7061 762860.8553 -9.6061 -9.6695 PRESSURE: 3151600 -230.952 -114.873 -97.8283 -114.872 93.7862 107.413 -97.8286 107.413 28.566 GPRESSURE: 3151600 -200.244 -180.161 -82.9128 -135.648 182.151 196.109 -164.063 173.544 5.18245 PRESSAVG: 3151600 -43.8338 -28.2357 -52.1409 -28.2357 18.8415 17.0434 -52.1409 17.0435 -11.8025 GPRESSAVG: 3151600 -43.8312 -28.9022 -51.735 -26.4463 17.7138 17.0519 -51.9516 17.0448 -10.7551 TIMING: 3151600 CPU: 9847.3, 0.00315997/step Wall: 9847.3, 0.00315997/step, 1.62247 hours remaining, 236.054688 MB of memory in use. ENERGY: 3151600 3911.9478 20416.8753 14507.6436 240.9897 -203257.3001 2625.3287 0.0000 0.0000 52103.4290 -109451.0859 299.4391 -161554.5150 -109088.2499 298.6579 -36.1998 -4.3033 761375.5350 -12.2650 -12.2909 PRESSURE: 3151800 117.011 3.50049 -79.5836 3.50018 96.1963 121.04 -79.5829 121.04 -94.9939 GPRESSURE: 3151800 191.685 -108.134 -10.271 29.6965 191.087 135.114 -58.3314 38.749 -164.851 PRESSAVG: 3151800 -29.7522 -15.8521 -32.4938 -15.8522 39.6746 -58.0802 -32.4938 -58.0803 -2.45854 GPRESSAVG: 3151800 -30.074 -15.5336 -32.5363 -18.0084 40.4376 -57.4284 -34.2138 -58.4144 -2.61849 TIMING: 3151800 CPU: 9847.93, 0.00315409/step Wall: 9847.93, 0.00315409/step, 1.61927 hours remaining, 236.054688 MB of memory in use. ENERGY: 3151800 3974.8938 20407.7872 14427.1141 244.7620 -203247.4318 2565.2922 0.0000 0.0000 52106.7058 -109520.8766 299.4580 -161627.5824 -109157.0753 298.7979 39.4043 72.6405 761821.0877 2.4880 2.5817 PRESSURE: 3152000 380.92 -89.8818 125.681 -89.8809 -62.532 -117.905 125.68 -117.906 -147.468 GPRESSURE: 3152000 373.101 -139.964 92.0612 -89.0122 -3.20077 -83.4468 101.065 -54.14 -90.7003 PRESSAVG: 3152000 24.8439 52.5934 52.6936 52.5934 21.6021 -71.982 52.6935 -71.9819 9.87828 GPRESSAVG: 3152000 25.5301 52.7843 52.9339 56.1705 20.9463 -72.4483 52.8493 -73.6945 9.70416 TIMING: 3152000 CPU: 9848.56, 0.00313649/step Wall: 9848.56, 0.00313649/step, 1.61006 hours remaining, 236.054688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3152000 4045.5241 20457.1294 14395.0090 250.3455 -203486.6422 2833.3406 0.0000 0.0000 52171.7857 -109333.5078 299.8320 -161505.2935 -108968.0136 298.9426 56.9734 93.0666 760372.0326 18.7748 18.7269 PRESSURE: 3152200 452.321 -187.854 137.903 -187.854 185.4 103.882 137.903 103.881 451.103 GPRESSURE: 3152200 426.179 -136.361 190.47 -221.892 309.594 50.8377 43.7998 -2.53789 443.323 PRESSAVG: 3152200 45.6463 36.6982 -61.288 36.6982 -61.0773 -11.0725 -61.288 -11.0725 -6.6583 GPRESSAVG: 3152200 44.8857 38.3732 -62.441 33.7914 -59.6885 -11.9574 -58.9982 -10.2367 -6.54463 TIMING: 3152200 CPU: 9849.19, 0.0031481/step Wall: 9849.19, 0.0031481/step, 1.61585 hours remaining, 236.054688 MB of memory in use. ENERGY: 3152200 4035.6058 20316.7160 14501.1653 257.3523 -203565.7113 2997.4174 0.0000 0.0000 52226.3269 -109231.1277 300.1454 -161457.4546 -108872.8361 299.5274 362.9412 393.0318 760326.3114 -7.3631 -7.1158 LDB: ============= START OF LOAD BALANCING ============== 9861.67 LDB: ============== END OF LOAD BALANCING =============== 9861.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9861.67 LDB: ============= START OF LOAD BALANCING ============== 9861.99 LDB: Largest compute 7078 load 0.029542 is 15.1% of average load 0.195289 LDB: Average compute 0.004394 is 2.2% of average load 0.195289 LDB: TIME 9861.99 LOAD: AVG 0.195289 MAX 0.217612 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.539 MB LDB: TIME 9861.99 LOAD: AVG 0.195289 MAX 0.217612 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.539 MB LDB: TIME 9861.99 LOAD: AVG 0.195289 MAX 0.217612 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.539 MB LDB: ============== END OF LOAD BALANCING =============== 9861.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9862 PRESSURE: 3152400 154.309 -72.0034 49.0217 -72.0038 113.24 -29.8553 49.0221 -29.8555 282.381 GPRESSURE: 3152400 232.021 -123.276 46.0139 -156.107 154.664 37.6263 43.7258 92.158 228.346 PRESSAVG: 3152400 49.3955 6.57978 -7.34125 6.57977 28.0099 -16.1903 -7.34127 -16.1903 21.9044 GPRESSAVG: 3152400 49.4778 5.79241 -5.65466 5.6315 28.7651 -17.2841 -8.24724 -13.1577 21.5685 TIMING: 3152400 CPU: 9849.83, 0.00321368/step Wall: 9849.83, 0.00321368/step, 1.64933 hours remaining, 234.308594 MB of memory in use. ENERGY: 3152400 4000.7687 20489.0592 14480.9295 251.4624 -203280.1235 2801.9674 0.0000 0.0000 52114.3093 -109141.6269 299.5017 -161255.9362 -108792.0333 299.4265 183.3099 205.0107 760347.1544 33.1032 33.2704 PRESSURE: 3152600 -234.072 18.1603 -206.51 18.1603 -657.825 72.0791 -206.51 72.0796 -3.3642 GPRESSURE: 3152600 -172.594 1.49004 -134.535 -81.479 -643.376 10.2784 -146.944 75.8983 -25.7356 PRESSAVG: 3152600 18.1047 15.382 21.1197 15.3821 -24.4992 16.1482 21.1196 16.1483 1.53602 GPRESSAVG: 3152600 18.5559 14.2421 20.6285 16.8252 -24.9097 17.9638 21.9826 13.7482 1.14415 TIMING: 3152600 CPU: 9850.46, 0.00312861/step Wall: 9850.46, 0.00312861/step, 1.6055 hours remaining, 234.308594 MB of memory in use. ENERGY: 3152600 3966.4261 20571.3140 14577.8722 232.3753 -202849.7135 2475.9766 0.0000 0.0000 51879.8180 -109145.9314 298.1540 -161025.7493 -108788.4115 298.9723 -298.4205 -280.5687 763942.0833 -1.6195 -1.7366 PRESSURE: 3152800 -246.696 300.631 420.155 300.632 -248.252 103.935 420.155 103.934 -289.729 GPRESSURE: 3152800 -297.914 226.736 456.323 239.646 -196.259 135.733 371.656 43.8514 -217.008 PRESSAVG: 3152800 -0.542551 -22.0024 58.1865 -22.0023 -30.1802 19.5528 58.1865 19.5529 -28.3799 GPRESSAVG: 3152800 -1.34727 -21.6029 57.5781 -21.1485 -30.3446 18.3658 55.7415 21.2714 -27.3791 TIMING: 3152800 CPU: 9851.09, 0.00313254/step Wall: 9851.09, 0.00313254/step, 1.60734 hours remaining, 234.308594 MB of memory in use. ENERGY: 3152800 4066.8788 20464.0390 14456.8848 239.2785 -202668.6402 2417.2829 0.0000 0.0000 51776.3487 -109247.9275 297.5594 -161024.2762 -108895.4235 298.6422 -261.5589 -237.0605 765672.9636 -19.7009 -19.6903 PRESSURE: 3153000 -330.272 2.7904 212.941 2.78991 -439.269 -95.3689 212.941 -95.3689 -521.085 GPRESSURE: 3153000 -362.124 22.7504 237.501 -12.524 -320.88 -111.091 115.89 -123.028 -513.93 PRESSAVG: 3153000 1.54606 68.038 31.9843 68.038 -7.19049 0.344992 31.9844 0.344983 25.9061 GPRESSAVG: 3153000 2.84813 67.5816 33.0807 66.9911 -7.98951 1.95354 34.4996 -1.05604 25.3412 TIMING: 3153000 CPU: 9851.71, 0.00312562/step Wall: 9851.71, 0.00312562/step, 1.60362 hours remaining, 234.308594 MB of memory in use. ENERGY: 3153000 3992.8265 20495.1607 14503.7335 273.4608 -202936.1824 2525.7195 0.0000 0.0000 52016.9825 -109128.2989 298.9423 -161145.2814 -108778.7255 299.3336 -430.2086 -398.9779 763129.9502 6.7539 6.7333 PRESSURE: 3153200 202.932 -15.9657 -215.177 -15.9651 460.541 -161.902 -215.177 -161.904 470.419 GPRESSURE: 3153200 249.688 -115.911 -233.509 -13.202 436.118 -130.987 -242.576 -98.5558 529.829 PRESSAVG: 3153200 -29.4211 17.8125 -4.98536 17.8126 -1.25978 -4.02832 -4.98539 -4.02829 8.57406 GPRESSAVG: 3153200 -29.7687 18.1527 -4.77574 19.2156 -1.33744 -5.45959 -7.53684 -3.85524 9.16293 TIMING: 3153200 CPU: 9852.34, 0.00312739/step Wall: 9852.34, 0.00312739/step, 1.60435 hours remaining, 234.308594 MB of memory in use. ENERGY: 3153200 3914.3990 20374.7986 14451.3767 222.5307 -203437.7023 3031.8693 0.0000 0.0000 52196.8978 -109245.8301 299.9763 -161442.7279 -108868.5567 298.6322 377.9644 405.2114 762559.8912 -7.3689 -7.3144 PRESSURE: 3153400 -215.554 114.657 -48.0714 114.657 -25.7952 -132.236 -48.0704 -132.235 -532.827 GPRESSURE: 3153400 -92.3656 75.3691 -138.078 31.252 -147.044 -98.4501 38.321 -138.542 -455.612 PRESSAVG: 3153400 -23.288 -22.5292 -36.2233 -22.5292 24.0702 -0.209775 -36.2233 -0.209754 5.68355 GPRESSAVG: 3153400 -21.7911 -24.1951 -37.6454 -23.0155 23.7176 0.878013 -34.9481 0.922237 4.46327 TIMING: 3153400 CPU: 9852.96, 0.00311817/step Wall: 9852.96, 0.00311817/step, 1.59945 hours remaining, 234.308594 MB of memory in use. ENERGY: 3153400 3969.3254 20461.3046 14470.5826 234.8846 -202904.9025 2484.2428 0.0000 0.0000 52104.5920 -109179.9704 299.4458 -161284.5624 -108813.5199 299.0120 -258.0587 -231.6740 762429.3099 2.1553 2.1299 PRESSURE: 3153600 -28.4406 -188.852 191.634 -188.852 -41.8429 25.2951 191.634 25.2942 -396.113 GPRESSURE: 3153600 -0.93939 -312.837 191.957 -184.482 7.30691 37.7646 267.029 -72.5909 -400.197 PRESSAVG: 3153600 -11.5192 -41.7467 24.1132 -41.7467 49.1836 -2.64886 24.1132 -2.64888 20.6681 GPRESSAVG: 3153600 -13.2372 -41.4645 24.1658 -40.8858 50.5532 -3.76053 23.3203 -1.92145 20.7549 TIMING: 3153600 CPU: 9853.59, 0.00312682/step Wall: 9853.59, 0.00312682/step, 1.60371 hours remaining, 234.308594 MB of memory in use. ENERGY: 3153600 4019.0029 20526.9406 14494.8735 255.1664 -203354.2938 2911.7573 0.0000 0.0000 51890.4850 -109256.0681 298.2153 -161146.5531 -108906.2813 299.3543 -155.4656 -131.2764 763114.7030 19.4442 19.3570 PRESSURE: 3153800 -146.666 26.1163 196.637 26.1168 -195.97 55.8524 196.636 55.8513 -28.1078 GPRESSURE: 3153800 -70.2199 86.1108 192.641 26.5643 -142.445 62.7474 -9.48589 2.20955 -89.2964 PRESSAVG: 3153800 -43.7389 -33.0919 -41.2984 -33.0919 31.2038 3.07233 -41.2983 3.07236 6.53508 GPRESSAVG: 3153800 -44.9229 -33.7888 -39.5025 -34.6426 31.1665 4.26264 -44.2512 1.72144 8.03403 TIMING: 3153800 CPU: 9854.21, 0.00312384/step Wall: 9854.21, 0.00312384/step, 1.60201 hours remaining, 234.308594 MB of memory in use. ENERGY: 3153800 3989.3464 20412.9310 14456.0989 245.2058 -203129.2589 2810.2623 0.0000 0.0000 52061.2384 -109154.1761 299.1967 -161215.4145 -108792.0529 298.7328 -123.5811 -100.6539 763317.6419 -2.0000 -1.9075 PRESSURE: 3154000 98.3628 -141.375 155.815 -141.375 128.544 187.229 155.814 187.23 95.6212 GPRESSURE: 3154000 187.195 58.862 200.934 34.8158 184.086 172.481 74.8279 128.535 46.5151 PRESSAVG: 3154000 -31.1581 -28.3226 -15.7561 -28.3226 32.4126 17.2609 -15.7562 17.2609 9.58128 GPRESSAVG: 3154000 -29.6818 -26.095 -16.1185 -29.0547 32.7693 17.4686 -13.8803 17.202 8.05458 TIMING: 3154000 CPU: 9854.84, 0.00313321/step Wall: 9854.84, 0.00313321/step, 1.60664 hours remaining, 234.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3154000 3908.1265 20584.9211 14357.0801 233.8616 -203318.1806 2749.7586 0.0000 0.0000 52189.7781 -109294.6546 299.9354 -161484.4327 -108933.1138 299.3313 107.5094 139.2654 761991.2490 3.6119 3.7140 PRESSURE: 3154200 100.884 -69.8216 -73.3479 -69.8217 104.463 60.1481 -73.3475 60.1465 491.78 GPRESSURE: 3154200 107.569 -19.4557 -83.6812 -130.155 180.071 -4.83304 -98.1052 -4.74246 503.253 PRESSAVG: 3154200 -9.37406 25.546 -26.7007 25.546 -0.299216 3.45316 -26.7006 3.45308 1.87296 GPRESSAVG: 3154200 -10.8643 25.0601 -27.8297 26.2165 0.140184 1.62504 -25.3929 3.29532 2.75151 TIMING: 3154200 CPU: 9855.47, 0.00314247/step Wall: 9855.47, 0.00314247/step, 1.61121 hours remaining, 234.308594 MB of memory in use. ENERGY: 3154200 3974.1013 20602.9097 14523.8923 227.0621 -203778.9152 2920.1247 0.0000 0.0000 52185.5660 -109345.2590 299.9112 -161530.8250 -108987.2598 299.1116 232.3758 263.6307 761275.5958 -2.6001 -2.6575 PRESSURE: 3154400 -52.7889 -41.9651 -67.8704 -41.9647 -253.539 152.925 -67.8706 152.924 -61.2388 GPRESSURE: 3154400 2.17826 -106.861 -49.6783 54.4597 -241.186 152.436 84.6532 193.474 -40.207 PRESSAVG: 3154400 36.343 -19.5769 19.8949 -19.577 18.1089 75.0379 19.895 75.038 -5.42034 GPRESSAVG: 3154400 36.7641 -21.6224 19.9103 -20.5197 18.7127 76.0144 20.6845 77.0823 -5.88654 TIMING: 3154400 CPU: 9856.09, 0.0031388/step Wall: 9856.09, 0.0031388/step, 1.60916 hours remaining, 234.308594 MB of memory in use. ENERGY: 3154400 3951.9050 20639.7164 14489.0616 236.7874 -203458.9880 2564.4655 0.0000 0.0000 52204.2602 -109372.7919 300.0186 -161577.0521 -109016.2452 299.3850 -122.5221 -93.0717 761575.6763 16.3438 16.5301 PRESSURE: 3154600 -223.31 6.52701 40.4673 6.52709 -76.9496 -141.104 40.4669 -141.104 10.6739 GPRESSURE: 3154600 -179.829 -83.5 -2.16043 86.9353 -54.3127 -213.882 37.5683 -8.3364 30.8851 PRESSAVG: 3154600 -34.9581 -67.1078 24.7029 -67.1078 30.1361 41.2336 24.7029 41.2336 -9.87769 GPRESSAVG: 3154600 -33.3395 -66.0083 24.4251 -65.7939 28.818 41.584 24.7633 42.9174 -9.80859 TIMING: 3154600 CPU: 9856.72, 0.00312624/step Wall: 9856.72, 0.00312624/step, 1.60254 hours remaining, 234.308594 MB of memory in use. ENERGY: 3154600 3910.9639 20557.7404 14472.2124 259.8070 -203204.6066 2694.1640 0.0000 0.0000 52006.8494 -109302.8696 298.8841 -161309.7190 -108939.3779 299.1527 -96.5284 -67.7522 762961.3215 -4.8999 -4.7767 PRESSURE: 3154800 -115.485 214.038 215.541 214.037 -461.68 -113.688 215.541 -113.688 -345.08 GPRESSURE: 3154800 -210.653 138.511 212.57 49.5777 -333.938 -198.855 195.237 -152.294 -300.517 PRESSAVG: 3154800 -43.0931 5.85866 65.625 5.85871 57.5228 11.9652 65.6249 11.9652 -5.22782 GPRESSAVG: 3154800 -45.0424 7.59001 65.2762 5.14321 57.9414 10.5622 66.5661 10.4962 -3.97806 TIMING: 3154800 CPU: 9857.35, 0.00314171/step Wall: 9857.35, 0.00314171/step, 1.6103 hours remaining, 234.308594 MB of memory in use. ENERGY: 3154800 4015.8374 20814.9687 14424.7350 255.1594 -202929.0086 2428.1250 0.0000 0.0000 51958.9818 -109031.2013 298.6090 -160990.1832 -108678.9101 299.3034 -307.4152 -281.7025 763224.7425 3.0673 2.9736 PRESSURE: 3155000 -317.663 -68.5097 5.01183 -68.5101 -98.4258 -79.8423 5.01236 -79.8419 267.521 GPRESSURE: 3155000 -227.263 -140.847 50.3762 -42.7115 -55.23 -13.4152 -26.9235 -53.9983 234.216 PRESSAVG: 3155000 2.12098 11.2481 39.0796 11.2481 0.0206354 -29.3359 39.0796 -29.3359 -0.121914 GPRESSAVG: 3155000 3.73136 9.04176 40.0168 11.3373 0.184013 -28.9147 36.8678 -29.871 -1.61908 TIMING: 3155000 CPU: 9857.97, 0.00313975/step Wall: 9857.97, 0.00313975/step, 1.60912 hours remaining, 234.308594 MB of memory in use. ENERGY: 3155000 3928.0846 20615.9752 14496.9124 231.2953 -203203.3382 2931.6897 0.0000 0.0000 52063.8437 -108935.5375 299.2116 -160999.3811 -108572.2256 299.6590 -49.5227 -16.0924 763434.9901 0.6732 0.7654 PRESSURE: 3155200 -11.5139 -114.418 -26.8342 -114.418 -233.803 -71.3728 -26.8344 -71.3738 159.076 GPRESSURE: 3155200 55.9414 -79.7951 -47.4741 -126.187 -204.868 -102.215 101.28 -49.3637 167.169 PRESSAVG: 3155200 0.463621 -42.923 66.9276 -42.9228 19.6511 -42.1888 66.9276 -42.1889 -8.46588 GPRESSAVG: 3155200 0.844397 -39.103 67.0211 -46.5254 18.5724 -42.7502 66.6343 -41.783 -7.91803 TIMING: 3155200 CPU: 9858.6, 0.00313675/step Wall: 9858.6, 0.00313675/step, 1.60741 hours remaining, 234.308594 MB of memory in use. ENERGY: 3155200 3978.4759 20452.9520 14425.2047 247.5022 -203241.7076 2990.9335 0.0000 0.0000 52045.8727 -109100.7667 299.1083 -161146.6394 -108728.1131 299.6530 -28.7467 6.0806 762296.3146 3.8830 3.8329 PRESSURE: 3155400 -173.882 51.4286 -126.62 51.429 -302.301 246.165 -126.62 246.166 -311.852 GPRESSURE: 3155400 -170.466 36.9772 -175.43 -15.2573 -270.073 173.223 -170.346 268.669 -277.035 PRESSAVG: 3155400 31.1533 25.7919 11.1827 25.7919 -39.4821 42.5894 11.1827 42.5895 -3.85538 GPRESSAVG: 3155400 30.4534 20.4036 10.6495 28.8487 -38.4118 42.97 13.5909 42.0301 -4.59401 TIMING: 3155400 CPU: 9859.24, 0.0031834/step Wall: 9859.24, 0.0031834/step, 1.63114 hours remaining, 234.308594 MB of memory in use. ENERGY: 3155400 4030.7564 20514.3248 14376.6158 242.0889 -202702.3077 2345.5319 0.0000 0.0000 51977.7975 -109215.1925 298.7171 -161192.9899 -108854.9604 299.4125 -262.6782 -239.1916 763985.9531 -4.0614 -4.1841 PRESSURE: 3155600 159.943 -129.622 -111.957 -129.622 553.304 -179.469 -111.957 -179.469 -257.328 GPRESSURE: 3155600 190.113 -95.2393 -129.572 -209.033 468.644 -176.851 -6.52254 -142.813 -121.233 PRESSAVG: 3155600 36.8824 -15.2307 -6.92828 -15.2308 26.338 40.6658 -6.92824 40.6658 -10.2181 GPRESSAVG: 3155600 37.1189 -13.3498 -7.12233 -15.7874 25.0353 40.8847 -8.61598 42.0239 -9.07424 TIMING: 3155600 CPU: 9859.87, 0.00314576/step Wall: 9859.87, 0.00314576/step, 1.61168 hours remaining, 234.308594 MB of memory in use. ENERGY: 3155600 3973.8881 20590.0672 14466.6282 249.1205 -203622.1287 2960.7655 0.0000 0.0000 51807.9372 -109573.7219 297.7409 -161381.6591 -109198.0190 298.8823 151.9731 179.1748 761169.7012 17.6675 17.6933 PRESSURE: 3155800 110.698 33.6625 56.1357 33.6622 -290.388 21.6058 56.1356 21.6054 14.6954 GPRESSURE: 3155800 44.855 116.624 28.9823 61.5291 -154.523 -38.1921 8.48751 109.022 45.3253 PRESSAVG: 3155800 39.6899 -23.3391 1.36588 -23.3391 -26.1764 51.9766 1.36591 51.9766 7.98019 GPRESSAVG: 3155800 39.2466 -21.6216 1.23062 -23.2753 -25.5788 53.518 1.73007 51.1796 7.807 TIMING: 3155800 CPU: 9860.49, 0.00312255/step Wall: 9860.49, 0.00312255/step, 1.59961 hours remaining, 234.308594 MB of memory in use. ENERGY: 3155800 4053.2524 20424.8539 14459.6751 245.1395 -202874.4231 2504.5294 0.0000 0.0000 51825.2925 -109361.6803 297.8407 -161186.9728 -108993.2585 298.2261 -54.9984 -21.4474 762450.7276 7.1646 7.1583 PRESSURE: 3156000 -205.819 67.4741 -175.033 67.4739 -21.0721 -177.722 -175.033 -177.72 165.864 GPRESSURE: 3156000 -153.776 110.179 -179.943 8.70105 32.47 -101.168 -264.451 -141.921 150.781 PRESSAVG: 3156000 0.639018 -74.9198 -45.4705 -74.9198 17.2069 -0.0709581 -45.4704 -0.0709275 -4.90864 GPRESSAVG: 3156000 1.3461 -77.5152 -45.1218 -73.8126 17.382 -0.548457 -45.2747 1.01046 -6.10357 TIMING: 3156000 CPU: 9861.12, 0.00313427/step Wall: 9861.12, 0.00313427/step, 1.60544 hours remaining, 234.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3156000 3986.0719 20480.4073 14476.8359 254.7134 -202951.8818 2711.2668 0.0000 0.0000 51768.8633 -109273.7232 297.5164 -161042.5865 -108922.9690 298.6721 -20.3424 9.8253 762831.6585 4.3124 4.2082 PRESSURE: 3156200 -290.731 -104.732 -114.067 -104.731 -101.832 14.5398 -114.066 14.5393 -272.876 GPRESSURE: 3156200 -339.493 -98.2579 -96.6498 12.1273 -28.715 82.2995 -37.4697 -218.214 -206.948 PRESSAVG: 3156200 -1.15404 -26.0079 -42.8953 -26.0078 3.65255 -11.6855 -42.8953 -11.6854 4.11096 GPRESSAVG: 3156200 -1.10969 -25.0139 -41.5378 -25.3908 3.13975 -11.4747 -44.543 -11.7414 4.60541 TIMING: 3156200 CPU: 9861.75, 0.00313628/step Wall: 9861.75, 0.00313628/step, 1.6063 hours remaining, 234.308594 MB of memory in use. ENERGY: 3156200 4019.2109 20448.4027 14347.6683 259.6000 -202837.6243 2222.5204 0.0000 0.0000 52209.5255 -109330.6965 300.0489 -161540.2220 -108965.4961 298.9227 -221.8132 -191.7187 761932.7413 2.2032 2.2118 LDB: ============= START OF LOAD BALANCING ============== 9874.23 LDB: ============== END OF LOAD BALANCING =============== 9874.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9874.23 LDB: ============= START OF LOAD BALANCING ============== 9874.54 LDB: Largest compute 7007 load 0.030717 is 15.7% of average load 0.195149 LDB: Average compute 0.004385 is 2.2% of average load 0.195149 LDB: TIME 9874.55 LOAD: AVG 0.195149 MAX 0.214261 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.688 MB LDB: TIME 9874.55 LOAD: AVG 0.195149 MAX 0.214261 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.781 MB LDB: TIME 9874.55 LOAD: AVG 0.195149 MAX 0.214261 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.781 MB LDB: ============== END OF LOAD BALANCING =============== 9874.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9874.55 PRESSURE: 3156400 40.6694 39.0723 113.27 39.0728 91.0801 160.912 113.271 160.912 -52.5252 GPRESSURE: 3156400 93.5955 -68.854 177.101 -21.7503 100.221 202.823 161.551 189.237 -27.4542 PRESSAVG: 3156400 4.30252 -9.57832 26.3215 -9.57828 22.021 24.1837 26.3216 24.1837 -20.0762 GPRESSAVG: 3156400 4.43375 -11.8026 26.75 -7.94797 22.3504 22.3862 25.6397 24.134 -19.7136 TIMING: 3156400 CPU: 9862.39, 0.00320323/step Wall: 9862.39, 0.00320322/step, 1.64041 hours remaining, 234.050781 MB of memory in use. ENERGY: 3156400 3998.9757 20544.8523 14365.7897 265.0768 -203358.6098 2926.7678 0.0000 0.0000 52031.2660 -109225.8814 299.0244 -161257.1474 -108867.7231 299.1353 26.4081 55.4542 761496.6216 2.0824 2.3568 PRESSURE: 3156600 -10.4281 41.2434 -65.8762 41.2437 140.408 -90.7191 -65.8771 -90.7198 -218.838 GPRESSURE: 3156600 -51.9021 -20.3288 -54.2754 -6.37334 180.978 -35.1771 -91.3892 7.80653 -127.848 PRESSAVG: 3156600 0.243197 -4.72054 -25.0397 -4.72057 -27.0223 35.1841 -25.0397 35.1841 -8.37775 GPRESSAVG: 3156600 -0.201996 -1.98703 -25.7487 -6.44286 -25.8999 35.5386 -23.7645 33.2936 -9.02673 TIMING: 3156600 CPU: 9863.02, 0.00314169/step Wall: 9863.02, 0.00314169/step, 1.60872 hours remaining, 234.050781 MB of memory in use. ENERGY: 3156600 3998.3453 20384.9135 14348.6920 255.0442 -202896.3959 2527.3194 0.0000 0.0000 52010.9375 -109371.1440 298.9076 -161382.0815 -109012.2181 299.0334 -29.6193 0.4093 763059.5575 -11.7189 -11.7095 PRESSURE: 3156800 -180.025 270.001 49.3059 270 183.792 -182.098 49.3055 -182.1 140.885 GPRESSURE: 3156800 -39.4821 191.466 24.7117 305.13 204.148 -186.487 30.0528 -242.604 76.861 PRESSAVG: 3156800 14.934 37.6321 -21.1741 37.6321 2.78277 59.2969 -21.1741 59.2969 14.664 GPRESSAVG: 3156800 16.9274 36.9315 -24.4576 38.6703 1.60096 60.7213 -20.207 58.5511 13.977 TIMING: 3156800 CPU: 9863.64, 0.00313244/step Wall: 9863.64, 0.00313244/step, 1.60381 hours remaining, 234.050781 MB of memory in use. ENERGY: 3156800 4085.9568 20472.4053 14428.6135 266.5488 -202876.1382 2484.9785 0.0000 0.0000 51954.8594 -109182.7758 298.5853 -161137.6353 -108819.9447 298.8539 48.2173 80.5088 762188.9062 10.7936 10.8351 PRESSURE: 3157000 270.457 -101.975 58.5503 -101.975 -61.5087 -187.992 58.5496 -187.991 89.4049 GPRESSURE: 3157000 208.145 -74.1554 101.65 -162.142 17.3726 -134.114 145.107 -73.7384 151.919 PRESSAVG: 3157000 13.9474 42.2092 -55.7442 42.2092 1.66132 10.0155 -55.7442 10.0155 12.8029 GPRESSAVG: 3157000 13.6828 43.8725 -54.6028 40.401 1.85735 9.55969 -54.9201 11.6924 13.105 TIMING: 3157000 CPU: 9864.27, 0.00313291/step Wall: 9864.27, 0.00313291/step, 1.60387 hours remaining, 234.050781 MB of memory in use. ENERGY: 3157000 4094.5699 20459.3575 14414.0751 259.8102 -203428.7310 2925.6687 0.0000 0.0000 52140.0450 -109135.2044 299.6496 -161275.2494 -108767.7001 299.3917 99.4510 125.8121 762175.7535 9.4705 9.5484 PRESSURE: 3157200 -77.5722 -73.7916 34.1365 -73.7913 -134.867 17.1121 34.1367 17.1112 -212.33 GPRESSURE: 3157200 -3.6039 -70.002 -81.4086 -119.542 -128.953 10.113 -48.9015 -2.90677 -201.702 PRESSAVG: 3157200 -23.8143 -2.52283 -25.0082 -2.52281 6.88935 -22.6756 -25.0082 -22.6756 -5.00146 GPRESSAVG: 3157200 -24.7958 -5.69243 -24.9145 -0.480728 7.84595 -24.6041 -26.666 -20.3824 -5.93435 TIMING: 3157200 CPU: 9864.89, 0.00312556/step Wall: 9864.89, 0.00312556/step, 1.59994 hours remaining, 234.050781 MB of memory in use. ENERGY: 3157200 4108.2518 20604.1861 14445.6616 234.2640 -203285.3238 2793.6286 0.0000 0.0000 52058.3917 -109040.9399 299.1803 -161099.3316 -108684.5611 299.3730 -141.5898 -111.4198 762647.7079 -7.3088 -7.6281 PRESSURE: 3157400 76.7408 -165.189 88.9125 -165.188 150.98 11.8598 88.9119 11.8604 91.485 GPRESSURE: 3157400 135.987 -110.836 159.737 -124.773 218.367 35.1451 2.45898 -156.598 40.1589 PRESSAVG: 3157400 -9.45385 -1.63238 -34.1857 -1.63231 32.922 -7.9564 -34.1858 -7.95634 -11.8276 GPRESSAVG: 3157400 -10.5068 0.636334 -34.3136 -3.17924 32.58 -7.59697 -32.7107 -10.1357 -10.3189 TIMING: 3157400 CPU: 9865.52, 0.00313326/step Wall: 9865.52, 0.00313326/step, 1.60371 hours remaining, 234.050781 MB of memory in use. ENERGY: 3157400 3964.5687 20361.1084 14489.9206 246.6381 -203315.4668 2752.2577 0.0000 0.0000 52439.8601 -109061.1132 301.3726 -161500.9733 -108687.5698 299.5006 106.4019 131.5042 762773.1532 3.8802 3.9181 PRESSURE: 3157600 187.072 151.49 -93.4572 151.49 -76.8584 -259.695 -93.4566 -259.695 100.715 GPRESSURE: 3157600 258.033 167.102 -194.215 151.269 -122.565 -163.208 79.6872 -305.956 153.242 PRESSAVG: 3157600 10.8441 66.4673 38.6135 66.4673 -6.23734 -11.8636 38.6136 -11.8635 -6.0451 GPRESSAVG: 3157600 12.3884 65.9732 39.7366 67.0275 -6.80395 -11.3171 38.6701 -13.8253 -6.95267 TIMING: 3157600 CPU: 9866.15, 0.00316342/step Wall: 9866.15, 0.00316342/step, 1.61897 hours remaining, 234.050781 MB of memory in use. ENERGY: 3157600 4035.2623 20533.5833 14481.8673 242.4364 -202909.1053 2861.6973 0.0000 0.0000 51731.7161 -109022.5426 297.3029 -160754.2587 -108659.4997 298.9594 70.3096 96.2364 764125.1195 -0.4794 -0.4561 PRESSURE: 3157800 -84.1527 128.542 -136.131 128.543 -82.7892 -23.7235 -136.131 -23.7236 -173.778 GPRESSURE: 3157800 41.974 -73.0943 -115.703 53.3928 -119.692 -93.4614 -182.039 8.54859 -169.497 PRESSAVG: 3157800 -16.467 2.49838 10.8295 2.49836 15.6875 27.967 10.8295 27.967 -5.03883 GPRESSAVG: 3157800 -15.9838 1.04147 10.2156 1.72803 15.6824 27.5072 8.85294 29.143 -5.2863 TIMING: 3157800 CPU: 9866.78, 0.00315368/step Wall: 9866.78, 0.00315368/step, 1.61381 hours remaining, 234.050781 MB of memory in use. ENERGY: 3157800 3973.1129 20623.8429 14473.1285 228.8767 -202867.4834 2547.4355 0.0000 0.0000 51845.0367 -109176.0501 297.9541 -161021.0869 -108820.7829 298.8919 -113.5733 -82.4049 766292.7333 -1.9395 -1.8626 PRESSURE: 3158000 126.999 102.425 108.36 102.426 -127.928 54.9932 108.36 54.9921 -44.1603 GPRESSURE: 3158000 129.115 96.1883 130.71 116.903 -10.3208 62.9413 19.5698 81.3953 -75.304 PRESSAVG: 3158000 9.89609 1.55712 -14.3249 1.55724 -6.10336 17.6467 -14.3249 17.6467 14.4069 GPRESSAVG: 3158000 9.96372 2.08508 -12.4588 1.74096 -6.77669 19.1516 -13.5173 17.8632 15.0027 TIMING: 3158000 CPU: 9867.42, 0.00317008/step Wall: 9867.42, 0.00317008/step, 1.62203 hours remaining, 234.050781 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: 3158000 4003.5595 20524.6020 14353.8021 234.3100 -203181.8921 2799.1662 0.0000 0.0000 52125.2111 -109141.2413 299.5643 -161266.4524 -108791.8160 299.0400 -15.0297 14.4966 765553.7291 6.0666 6.0632 PRESSURE: 3158200 -216.696 -3.21211 114.605 -3.21308 -372.306 33.683 114.605 33.6827 -275.306 GPRESSURE: 3158200 -207.321 77.2342 101.646 53.4111 -313.158 -3.3055 126.799 -0.55324 -264.855 PRESSAVG: 3158200 -10.4886 -16.964 32.6333 -16.964 28.5812 19.8515 32.6333 19.8514 -5.01241 GPRESSAVG: 3158200 -10.4948 -16.9439 31.357 -15.7304 28.1578 19.2753 34.175 20.0876 -4.23185 TIMING: 3158200 CPU: 9868.06, 0.00319265/step Wall: 9868.06, 0.00319265/step, 1.63339 hours remaining, 234.050781 MB of memory in use. ENERGY: 3158200 3926.4557 20394.5076 14449.0712 260.8250 -203170.0449 2419.7952 0.0000 0.0000 52301.9712 -109417.4189 300.5801 -161719.3901 -109043.5862 298.8662 -288.1026 -261.7782 763510.3677 4.3601 4.4771 PRESSURE: 3158400 198.996 133.449 176.465 133.449 356.418 47.2323 176.466 47.2314 -0.743835 GPRESSURE: 3158400 254.109 113.024 157.907 123.75 350.265 -23.2476 144.07 33.0497 23.884 PRESSAVG: 3158400 27.3093 20.3019 46.235 20.3019 -27.3128 48.7049 46.235 48.7049 -11.5737 GPRESSAVG: 3158400 26.8998 19.2521 47.8613 20.8567 -26.0364 49.5633 42.5498 49.5204 -12.6057 TIMING: 3158400 CPU: 9868.69, 0.00315886/step Wall: 9868.69, 0.00315886/step, 1.61593 hours remaining, 234.050781 MB of memory in use. ENERGY: 3158400 4008.7356 20427.7658 14478.3860 230.7165 -203257.6728 2876.0545 0.0000 0.0000 51720.0662 -109515.9482 297.2359 -161236.0144 -109163.8760 298.8297 184.8898 209.4195 764595.7164 -3.8591 -3.9141 PRESSURE: 3158600 -223.037 199.231 -147.324 199.231 -35.5004 95.4578 -147.324 95.4576 -180.437 GPRESSURE: 3158600 -253.823 58.1078 -128.618 217.219 62.9869 73.8698 -132.272 15.0685 -160.851 PRESSAVG: 3158600 27.8762 36.6015 21.3692 36.6015 14.0499 14.4065 21.3693 14.4066 7.5345 GPRESSAVG: 3158600 28.499 37.4415 20.2149 36.1394 12.8318 14.9917 24.0547 13.4187 8.46152 TIMING: 3158600 CPU: 9869.32, 0.00314682/step Wall: 9869.32, 0.00314682/step, 1.6096 hours remaining, 234.050781 MB of memory in use. ENERGY: 3158600 4048.3155 20286.5792 14505.8927 248.6615 -203366.4427 2644.6149 0.0000 0.0000 51946.2834 -109686.0956 298.5360 -161632.3790 -109332.2832 298.0792 -146.3247 -117.2288 762421.1484 16.4868 16.5975 PRESSURE: 3158800 345.146 296.824 126.994 296.824 -167.011 126.197 126.995 126.197 368.608 GPRESSURE: 3158800 358.543 322.932 125.219 150.958 -84.0985 25.9918 128.945 92.8814 353.904 PRESSAVG: 3158800 -3.85736 7.42835 0.807014 7.42824 -12.2241 4.42302 0.807027 4.42299 3.54481 GPRESSAVG: 3158800 -4.16791 8.27028 1.43279 6.44642 -12.4647 2.75172 0.212944 3.93403 4.36589 TIMING: 3158800 CPU: 9869.94, 0.00312776/step Wall: 9869.94, 0.00312776/step, 1.59967 hours remaining, 234.050781 MB of memory in use. ENERGY: 3158800 3990.9354 20518.1600 14445.3261 245.0601 -204246.2667 3223.4410 0.0000 0.0000 51936.4503 -109886.8938 298.4795 -161823.3441 -109531.0736 298.2184 182.2479 209.4495 762832.7378 -4.1789 -4.0889 PRESSURE: 3159000 353.951 108.495 134.165 108.495 -83.8294 71.1306 134.164 71.1318 -5.09963 GPRESSURE: 3159000 303.574 40.6178 13.6657 -16.7889 92.4266 81.8779 133.107 1.26651 -33.1204 PRESSAVG: 3159000 23.7725 44.5262 12.1895 44.5263 -2.32435 -3.44962 12.1895 -3.44969 -1.40166 GPRESSAVG: 3159000 22.9138 42.0384 12.1067 44.3719 -0.430701 -2.44414 10.9962 -2.36731 -1.97563 TIMING: 3159000 CPU: 9870.57, 0.00312209/step Wall: 9870.57, 0.00312209/step, 1.5966 hours remaining, 234.050781 MB of memory in use. ENERGY: 3159000 3991.4363 20452.4550 14429.4281 265.7785 -204341.0899 3199.5932 0.0000 0.0000 51926.7103 -110075.6885 298.4235 -162002.3988 -109708.0333 298.0151 88.3408 120.9600 759049.2178 6.6822 6.8358 PRESSURE: 3159200 -144.212 -0.710131 -142.573 -0.711272 -128.214 172.592 -142.573 172.593 97.736 GPRESSURE: 3159200 -17.4692 25.7795 -120.24 25.6176 -113.06 105.445 -192.127 187.929 36.9556 PRESSAVG: 3159200 9.47764 -3.91681 -17.432 -3.91685 15.3251 -37.83 -17.4321 -37.8301 29.6121 GPRESSAVG: 3159200 10.2483 -2.36285 -17.6683 -3.60751 14.8252 -37.6804 -17.6331 -37.3371 29.2692 TIMING: 3159200 CPU: 9871.19, 0.00312517/step Wall: 9871.19, 0.00312517/step, 1.598 hours remaining, 234.050781 MB of memory in use. ENERGY: 3159200 3923.0391 20367.1038 14485.4241 240.2664 -203903.5260 2754.5668 0.0000 0.0000 52019.0982 -110114.0276 298.9545 -162133.1257 -109750.7807 297.4619 -58.2301 -31.1914 761711.4418 18.1383 18.1142 PRESSURE: 3159400 -228.138 64.3601 -45.2411 64.3607 88.7357 -135.997 -45.242 -135.998 271.065 GPRESSURE: 3159400 -174.911 -16.5136 37.6485 -42.3479 142.933 -158.813 168.691 -81.8427 261.062 PRESSAVG: 3159400 4.17829 2.0895 -7.94677 2.08947 41.6666 -32.469 -7.94678 -32.469 1.10619 GPRESSAVG: 3159400 4.87515 1.36666 -10.4321 2.57153 39.9172 -33.1849 -6.32439 -30.6379 1.92477 TIMING: 3159400 CPU: 9871.82, 0.00314821/step Wall: 9871.82, 0.00314821/step, 1.60961 hours remaining, 234.050781 MB of memory in use. ENERGY: 3159400 3979.1196 20413.0651 14393.1175 235.9632 -204196.3750 3015.2992 0.0000 0.0000 51916.9258 -110242.8845 298.3673 -162159.8103 -109885.7674 297.6090 43.8876 76.3614 761310.6563 15.6504 15.5724 PRESSURE: 3159600 361.711 165.392 -160.205 165.392 -131.448 8.69235 -160.205 8.69318 -331.322 GPRESSURE: 3159600 255.42 -14.3452 -68.3905 93.2647 -39.7063 -40.0183 -122.438 147.027 -248.112 PRESSAVG: 3159600 29.2983 -7.42009 93.9603 -7.42005 -27.5721 31.7289 93.9604 31.7289 -12.0155 GPRESSAVG: 3159600 28.9597 -7.00499 95.5633 -6.58747 -28.3754 32.4569 93.3105 30.5284 -11.3966 TIMING: 3159600 CPU: 9872.45, 0.00313526/step Wall: 9872.45, 0.00313526/step, 1.60282 hours remaining, 234.050781 MB of memory in use. ENERGY: 3159600 4025.5673 20351.3310 14443.1443 240.8003 -203664.0722 2651.0108 0.0000 0.0000 51888.1014 -110064.1171 298.2016 -161952.2185 -109710.7970 297.6140 -33.6863 -10.7996 759942.2659 -3.4297 -3.6041 PRESSURE: 3159800 -91.4787 -75.3376 -220.877 -75.3378 -1.82456 -11.1717 -220.877 -11.1703 182.985 GPRESSURE: 3159800 -107.467 22.8238 -231.149 68.447 37.5427 27.5757 -334.849 -43.2264 233.025 PRESSAVG: 3159800 20.8089 -15.8177 1.70922 -15.8177 -3.88654 18.323 1.70927 18.323 17.4867 GPRESSAVG: 3159800 19.6417 -15.9738 1.30349 -16.3471 -2.20651 19.6733 0.697234 16.1656 17.1947 TIMING: 3159800 CPU: 9873.08, 0.00313391/step Wall: 9873.08, 0.00313391/step, 1.60195 hours remaining, 234.050781 MB of memory in use. ENERGY: 3159800 3971.9417 20688.5718 14481.3446 244.4296 -203621.5584 2482.2791 0.0000 0.0000 51671.3355 -110081.6561 296.9559 -161752.9916 -109722.0753 297.9268 29.8941 54.3669 759998.4707 11.4697 11.5433 PRESSURE: 3160000 45.6122 53.132 80.371 53.1319 -364.107 70.5849 80.3719 70.5843 -9.37727 GPRESSURE: 3160000 142.099 15.008 82.0399 56.0654 -337.424 108.195 98.9584 33.1472 -59.8479 PRESSAVG: 3160000 55.1898 33.2842 -11.92 33.2842 -44.8134 4.76677 -11.92 4.76675 16.6702 GPRESSAVG: 3160000 56.1385 32.9107 -11.3133 32.5633 -44.0957 4.13321 -11.4573 5.59402 15.3245 TIMING: 3160000 CPU: 9873.7, 0.00313875/step Wall: 9873.7, 0.00313875/step, 1.60425 hours remaining, 234.050781 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: 3160000 4032.3513 20473.8144 14443.8288 256.5950 -203659.2348 2684.2910 0.0000 0.0000 51944.3991 -109823.9552 298.5252 -161768.3543 -109459.3338 298.5133 -109.2907 -85.0579 762088.1981 9.0155 9.1224 PRESSURE: 3160200 106.127 196.246 83.5016 196.246 -84.7687 137.913 83.5016 137.913 -29.9731 GPRESSURE: 3160200 89.8744 126.909 71.507 149.685 37.7743 222.003 130.687 -22.5346 -46.3283 PRESSAVG: 3160200 11.6099 6.03357 24.4261 6.03353 6.31797 5.98188 24.4261 5.98184 -32.3655 GPRESSAVG: 3160200 12.0797 7.61071 23.8488 3.31028 5.4202 5.49209 24.8929 5.72198 -32.1312 TIMING: 3160200 CPU: 9874.33, 0.00315244/step Wall: 9874.33, 0.00315244/step, 1.61107 hours remaining, 234.050781 MB of memory in use. ENERGY: 3160200 3975.3669 20534.2516 14510.7975 254.4782 -203720.1649 2954.6315 0.0000 0.0000 51479.0534 -110011.5858 295.8508 -161490.6392 -109654.3581 298.1130 -2.8715 27.1068 763905.9227 -4.8126 -4.8771 LDB: ============= START OF LOAD BALANCING ============== 9886.82 LDB: ============== END OF LOAD BALANCING =============== 9886.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9886.82 LDB: ============= START OF LOAD BALANCING ============== 9887.13 LDB: Largest compute 7007 load 0.030338 is 15.5% of average load 0.195254 LDB: Average compute 0.004369 is 2.2% of average load 0.195254 LDB: TIME 9887.14 LOAD: AVG 0.195254 MAX 0.217603 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.016 MB LDB: TIME 9887.14 LOAD: AVG 0.195254 MAX 0.217603 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.016 MB LDB: TIME 9887.14 LOAD: AVG 0.195254 MAX 0.217603 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.016 MB LDB: ============== END OF LOAD BALANCING =============== 9887.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9887.14 PRESSURE: 3160400 65.7287 44.7764 -436.384 44.7766 247.774 30.5456 -436.383 30.5461 -58.207 GPRESSURE: 3160400 115.69 2.02881 -420.674 39.9372 216.691 49.3314 -251.617 7.98793 7.86465 PRESSAVG: 3160400 5.64052 45.9418 -25.5181 45.9417 -69.5493 -34.5958 -25.5182 -34.5959 -2.10439 GPRESSAVG: 3160400 6.23468 45.8313 -24.0136 48.8217 -70.0523 -34.0183 -24.9428 -31.177 -1.62143 TIMING: 3160400 CPU: 9874.98, 0.00322417/step Wall: 9874.98, 0.00322417/step, 1.64755 hours remaining, 234.300781 MB of memory in use. ENERGY: 3160400 3994.1582 20512.3870 14321.6164 234.8254 -203559.8349 2853.6226 0.0000 0.0000 51921.0625 -109722.1629 298.3911 -161643.2253 -109351.6659 298.1586 85.0987 113.4150 763313.3376 -22.0044 -21.8130 PRESSURE: 3160600 -34.1662 -28.0441 122.85 -28.0451 -112.093 38.9323 122.851 38.9328 26.5345 GPRESSURE: 3160600 118.394 -76.7529 177.407 -60.0744 -87.1997 -10.4229 -28.1948 82.2439 -71.5201 PRESSAVG: 3160600 -11.1379 -11.8704 34.1658 -11.8704 22.6235 -23.5431 34.1658 -23.5432 -8.23901 GPRESSAVG: 3160600 -12.4853 -13.3017 33.5387 -11.9557 24.4444 -24.5165 33.7025 -25.4241 -8.70143 TIMING: 3160600 CPU: 9875.61, 0.00314589/step Wall: 9875.61, 0.00314589/step, 1.60738 hours remaining, 234.300781 MB of memory in use. ENERGY: 3160600 3987.8669 20517.6019 14407.4622 252.8716 -203407.3694 2699.1852 0.0000 0.0000 51885.5000 -109656.8817 298.1867 -161542.3817 -109302.1007 298.5721 -39.9084 -13.4420 762614.7828 1.0822 1.0859 PRESSURE: 3160800 -31.6551 48.9685 173.283 48.9684 -332.911 14.8175 173.282 14.8161 -52.7585 GPRESSURE: 3160800 -77.8902 10.1963 147.075 88.7473 -285.596 66.5743 139.99 123.505 22.9771 PRESSAVG: 3160800 -14.7389 -5.98804 29.606 -5.98799 -61.6489 15.5673 29.606 15.5673 -12.4409 GPRESSAVG: 3160800 -14.5506 -6.86944 31.0036 -7.10372 -63.516 15.2467 28.3385 16.1569 -10.36 TIMING: 3160800 CPU: 9876.24, 0.00313968/step Wall: 9876.24, 0.00313968/step, 1.60403 hours remaining, 234.300781 MB of memory in use. ENERGY: 3160800 3992.7684 20476.8070 14454.8316 273.2476 -203184.9311 2653.6591 0.0000 0.0000 51681.3872 -109652.2301 297.0136 -161333.6173 -109286.7335 298.3614 -139.1080 -113.5029 763733.8915 -29.6095 -29.4755 PRESSURE: 3161000 -94.7299 -81.0203 -48.2987 -81.0203 90.121 -249.787 -48.2985 -249.787 27.8874 GPRESSURE: 3161000 -92.9698 -178.232 4.64023 -34.7642 125.15 -251.085 20.1629 -271.249 64.9699 PRESSAVG: 3161000 -46.7616 -13.5156 51.5409 -13.5156 60.0331 -25.7456 51.5409 -25.7456 20.3879 GPRESSAVG: 3161000 -46.6766 -14.3078 50.7087 -10.8109 60.9524 -25.0804 53.5521 -26.5462 19.5486 TIMING: 3161000 CPU: 9876.86, 0.00314486/step Wall: 9876.86, 0.00314485/step, 1.6065 hours remaining, 234.300781 MB of memory in use. ENERGY: 3161000 3903.6426 20540.2008 14528.1617 256.3574 -204079.6743 3363.6743 0.0000 0.0000 51921.7199 -109565.9177 298.3948 -161487.6376 -109227.6366 298.2808 7.7595 32.3835 763921.9226 11.2198 11.2748 PRESSURE: 3161200 67.8404 -47.3419 293.56 -47.3427 -195.801 -1.72063 293.561 -1.72023 78.345 GPRESSURE: 3161200 81.8726 -32.9242 277.763 -105.004 -87.6337 1.95818 255.796 64.3694 33.6698 PRESSAVG: 3161200 48.5859 -39.8604 21.1186 -39.8605 -59.2681 -10.1297 21.1186 -10.1297 -9.46576 GPRESSAVG: 3161200 48.6937 -35.9185 19.4339 -43.3879 -59.0608 -7.91929 21.8785 -10.5413 -10.2382 TIMING: 3161200 CPU: 9877.49, 0.0031448/step Wall: 9877.49, 0.0031448/step, 1.60629 hours remaining, 234.300781 MB of memory in use. ENERGY: 3161200 3934.3042 20595.9521 14475.3384 245.1991 -203594.6068 2730.1063 0.0000 0.0000 52031.6387 -109582.0680 299.0265 -161613.7067 -109232.1301 299.1886 -16.5387 9.3029 762408.8984 -6.7160 -6.8684 PRESSURE: 3161400 -184.67 -3.25947 137.569 -3.26002 -411.543 95.2202 137.57 95.2205 -223.337 GPRESSURE: 3161400 -275.045 -38.761 94.2013 -46.4277 -306.099 99.3658 97.4816 79.3979 -140.752 PRESSAVG: 3161400 1.15168 -2.10041 39.7068 -2.1004 6.65545 33.3136 39.7069 33.3137 -35.7294 GPRESSAVG: 3161400 1.11635 -5.67897 43.089 1.50201 6.72767 32.5696 36.3532 31.0254 -35.5991 TIMING: 3161400 CPU: 9878.12, 0.00313632/step Wall: 9878.12, 0.00313632/step, 1.60179 hours remaining, 234.300781 MB of memory in use. ENERGY: 3161400 4078.1133 20522.9393 14525.2955 251.9175 -203623.5867 2673.5036 0.0000 0.0000 51919.1111 -109652.7063 298.3798 -161571.8174 -109287.5043 299.0514 -273.1834 -240.6320 762482.6697 -9.3074 -9.2517 PRESSURE: 3161600 26.2319 226.521 9.14818 226.52 131.154 -309.586 9.14849 -309.584 178.915 GPRESSURE: 3161600 97.6961 144.545 -94.1026 184.928 104.956 -294.164 1.57104 -346.928 213.799 PRESSAVG: 3161600 56.8794 33.4669 64.2043 33.4669 4.19548 -14.2314 64.2043 -14.2314 -15.2897 GPRESSAVG: 3161600 55.5969 34.3171 62.973 30.5749 5.80457 -15.2155 66.6105 -11.7951 -15.1979 TIMING: 3161600 CPU: 9878.75, 0.00312795/step Wall: 9878.75, 0.00312795/step, 1.59734 hours remaining, 234.300781 MB of memory in use. ENERGY: 3161600 3910.1780 20495.2700 14429.5406 234.6751 -203725.3878 2793.0271 0.0000 0.0000 52087.5365 -109775.1605 299.3478 -161862.6970 -109410.5072 298.7334 112.1002 138.8172 761523.7191 15.2617 15.4012 PRESSURE: 3161800 -47.5087 -168.589 1.23937 -168.59 -265.21 168.441 1.23872 168.441 272.015 GPRESSURE: 3161800 -52.7651 -93.0912 -52.6204 -101.55 -182.72 195.144 43.0736 211.924 281.751 PRESSAVG: 3161800 -11.0385 7.49465 37.4213 7.49473 -15.6578 -11.8447 37.4213 -11.8447 1.79946 GPRESSAVG: 3161800 -9.5722 11.817 37.3634 7.45372 -16.8243 -12.281 37.6081 -11.3307 1.48163 TIMING: 3161800 CPU: 9879.37, 0.00312837/step Wall: 9879.37, 0.00312837/step, 1.59738 hours remaining, 234.300781 MB of memory in use. ENERGY: 3161800 3927.5608 20451.8037 14435.3564 251.8808 -203464.1434 2680.6299 0.0000 0.0000 52207.8628 -109509.0491 300.0393 -161716.9119 -109137.8597 299.0202 -13.5679 15.4221 762542.2168 -8.2990 -8.3050 PRESSURE: 3162000 -257.167 58.7162 -146.774 58.717 172.843 -50.1003 -146.774 -50.0998 -303.771 GPRESSURE: 3162000 -164.262 70.1067 -52.786 69.8606 157.129 -58.1643 -75.1512 -75.5227 -290.664 PRESSAVG: 3162000 -35.3183 23.6966 11.5348 23.6966 19.3639 -7.497 11.5348 -7.49706 25.8943 GPRESSAVG: 3162000 -35.6766 21.4304 10.7288 23.2868 20.0233 -5.40134 11.4765 -8.22724 25.2118 TIMING: 3162000 CPU: 9880, 0.00313174/step Wall: 9880, 0.00313174/step, 1.59893 hours remaining, 234.300781 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: 3162000 3999.4625 20548.0774 14431.6007 237.9451 -203367.0661 2624.4616 0.0000 0.0000 51998.1782 -109527.3406 298.8342 -161525.5188 -109173.1394 298.7945 -129.3651 -99.2659 762946.2764 3.3133 3.1862 PRESSURE: 3162200 -3.04576 -26.8774 -122.234 -26.8769 -109.989 97.6907 -122.234 97.6915 -112.435 GPRESSURE: 3162200 -74.6133 -20.6277 -100.639 52.3299 51.884 105.999 -133.381 121.005 -108.73 PRESSAVG: 3162200 -13.0046 30.876 -10.6893 30.876 15.6732 29.1342 -10.6893 29.1342 -16.9407 GPRESSAVG: 3162200 -12.8374 30.6465 -11.3812 32.4724 14.484 28.8453 -10.9957 28.6912 -15.5813 TIMING: 3162200 CPU: 9880.63, 0.00314165/step Wall: 9880.63, 0.00314165/step, 1.60381 hours remaining, 234.300781 MB of memory in use. ENERGY: 3162200 3897.2885 20638.6221 14393.6181 247.5348 -203467.3301 2483.1480 0.0000 0.0000 52213.1776 -109593.9409 300.0698 -161807.1185 -109223.8417 298.8197 -75.1568 -43.8199 762133.3698 -4.7574 -4.6449 PRESSURE: 3162400 -646.652 97.5064 88.0785 97.5065 -419.177 0.4563 88.0793 0.45632 -3.20179 GPRESSURE: 3162400 -506.544 103.025 40.4089 111.75 -391.752 117.475 2.51513 -99.2113 -92.4927 PRESSAVG: 3162400 -20.9524 -34.1459 58.8808 -34.1459 -0.670664 -37.4358 58.8808 -37.4358 7.10516 GPRESSAVG: 3162400 -21.2338 -32.581 60.2202 -34.4905 0.119263 -37.1129 57.6515 -34.8925 6.14599 TIMING: 3162400 CPU: 9881.26, 0.00316/step Wall: 9881.26, 0.00316/step, 1.613 hours remaining, 234.300781 MB of memory in use. ENERGY: 3162400 3965.3304 20686.1387 14469.3435 243.5607 -203129.2816 2464.7896 0.0000 0.0000 52055.6674 -109244.4512 299.1646 -161300.1186 -108897.6351 298.6663 -356.3438 -330.2632 763043.2155 -4.8393 -4.9895 PRESSURE: 3162600 -87.8255 -250.136 397.14 -250.136 -38.7613 28.2887 397.14 28.2888 -98.4942 GPRESSURE: 3162600 -20.8456 -184.799 398.16 -259.38 -45.0774 -3.2728 371.791 13.9002 -81.1374 PRESSAVG: 3162600 8.80849 -31.0064 21.3312 -31.0064 -23.4947 -64.3045 21.3311 -64.3045 1.87036 GPRESSAVG: 3162600 8.72444 -32.5305 21.5809 -30.4064 -23.6463 -67.6894 21.5088 -65.9561 2.02502 TIMING: 3162600 CPU: 9881.88, 0.00312246/step Wall: 9881.88, 0.00312246/step, 1.59367 hours remaining, 234.300781 MB of memory in use. ENERGY: 3162600 4083.5852 20658.4906 14434.2363 259.3540 -203278.4068 2640.5041 0.0000 0.0000 52175.3966 -109026.8400 299.8527 -161202.2366 -108667.2506 299.6079 -75.0270 -49.0201 760474.7661 -4.2719 -4.2989 PRESSURE: 3162800 506.64 -212.398 198.216 -212.398 335.058 -29.2282 198.216 -29.2268 337.394 GPRESSURE: 3162800 437.09 -187.377 210.88 -101.29 454.502 -32.3317 175.873 -75.8591 354.609 PRESSAVG: 3162800 -42.8689 -19.307 49.2216 -19.307 23.4988 -12.6714 49.2216 -12.6713 -18.3406 GPRESSAVG: 3162800 -42.9255 -19.4639 48.6609 -18.1433 24.0315 -10.4025 47.0537 -12.4523 -18.5746 TIMING: 3162800 CPU: 9882.51, 0.00312046/step Wall: 9882.51, 0.00312046/step, 1.59248 hours remaining, 234.300781 MB of memory in use. ENERGY: 3162800 3923.7198 20587.1946 14425.9202 259.2449 -203865.4247 3205.1187 0.0000 0.0000 52400.0082 -109064.2182 301.1436 -161464.2264 -108686.1993 300.2235 393.0310 415.4005 761113.8536 -12.5703 -12.4895 PRESSURE: 3163000 -227.751 68.6805 67.8977 68.6804 192.282 87.4677 67.8979 87.4683 -83.1156 GPRESSURE: 3163000 -231.324 91.251 42.463 144.883 259.256 34.3223 93.7963 169.612 -47.8967 PRESSAVG: 3163000 -56.6269 10.1403 68.0966 10.1402 55.6947 -24.7175 68.0966 -24.7175 -28.4016 GPRESSAVG: 3163000 -56.027 11.4593 68.9921 7.63068 54.7944 -25.6203 68.6655 -26.3711 -27.5662 TIMING: 3163000 CPU: 9883.13, 0.00312865/step Wall: 9883.13, 0.00312865/step, 1.59648 hours remaining, 234.300781 MB of memory in use. ENERGY: 3163000 4112.6729 20612.9467 14502.3014 238.2843 -203150.2255 2481.7299 0.0000 0.0000 52088.6243 -109113.6661 299.3540 -161202.2903 -108755.5905 300.4733 -39.5283 -6.6549 761874.4823 -9.7779 -9.5996 PRESSURE: 3163200 -56.0014 -189.174 133.015 -189.175 -146.44 -196.771 133.014 -196.771 18.6729 GPRESSURE: 3163200 -52.0809 -68.0608 132.747 -134.979 -102.709 -219.593 141.578 -256.568 68.632 PRESSAVG: 3163200 -65.2469 20.9624 53.2098 20.9624 95.2323 -19.4251 53.2098 -19.4251 6.21944 GPRESSAVG: 3163200 -65.7063 20.0779 51.5047 21.8468 96.5899 -19.4503 55.8721 -18.1039 5.37716 TIMING: 3163200 CPU: 9883.76, 0.00312485/step Wall: 9883.76, 0.00312485/step, 1.59437 hours remaining, 234.300781 MB of memory in use. ENERGY: 3163200 4057.0384 20657.7908 14432.8767 255.5901 -203545.4747 2780.7860 0.0000 0.0000 52271.1894 -109090.2033 300.4032 -161361.3927 -108727.1403 299.6854 -61.2561 -28.7191 762670.6788 12.0683 12.0869 PRESSURE: 3163400 -263.659 76.1002 -49.4985 76.1007 -305.078 -162.718 -49.4986 -162.717 -373.018 GPRESSURE: 3163400 -268.164 44.863 -71.2482 85.5354 -257.074 -124.923 -28.645 -180.758 -344.638 PRESSAVG: 3163400 -31.6592 -9.70458 69.7086 -9.70462 7.28772 -20.4074 69.7086 -20.4073 -17.4607 GPRESSAVG: 3163400 -30.7564 -10.5356 68.4441 -9.67989 5.76842 -20.01 69.4234 -21.2475 -16.8422 TIMING: 3163400 CPU: 9884.39, 0.00314527/step Wall: 9884.39, 0.00314527/step, 1.60461 hours remaining, 234.300781 MB of memory in use. ENERGY: 3163400 4046.3424 20573.4338 14476.3416 258.2685 -203412.0898 2664.2240 0.0000 0.0000 52258.9568 -109134.5227 300.3329 -161393.4796 -108779.7345 299.6827 -313.9181 -289.9587 762131.5434 -13.9441 -13.9434 PRESSURE: 3163600 -162.475 -114.089 97.8813 -114.089 -60.4563 282.018 97.8807 282.018 175.083 GPRESSURE: 3163600 -96.5074 -85.0081 17.7323 -163.23 11.0648 202.104 -70.5491 300.105 121.975 PRESSAVG: 3163600 -13.8784 -29.0662 60.2683 -29.0662 28.3377 1.63698 60.2683 1.63688 -14.7628 GPRESSAVG: 3163600 -14.6918 -27.7603 60.4762 -30.0896 28.8681 -0.224868 59.8713 1.73372 -14.2849 TIMING: 3163600 CPU: 9885.01, 0.00312576/step Wall: 9885.01, 0.00312576/step, 1.59448 hours remaining, 234.300781 MB of memory in use. ENERGY: 3163600 4016.3306 20667.6088 14451.9708 243.1561 -203171.7976 2539.1710 0.0000 0.0000 52078.0389 -109175.5214 299.2932 -161253.5604 -108814.7599 300.0624 -15.9495 12.1775 759900.6920 -0.1012 -0.0362 PRESSURE: 3163800 -73.4588 -4.69024 -129.644 -4.69043 -229.175 -47.0768 -129.644 -47.0761 -460.312 GPRESSURE: 3163800 0.0814913 -97.6116 -8.5866 -25.6769 -209.537 -31.4093 -287.519 -148.555 -460.935 PRESSAVG: 3163800 -14.7406 -78.0242 11.9405 -78.0242 -11.375 -17.01 11.9405 -17.0099 19.1092 GPRESSAVG: 3163800 -14.6217 -77.0612 14.0574 -77.73 -11.1101 -15.3895 9.77302 -17.3879 18.8952 TIMING: 3163800 CPU: 9885.64, 0.00312031/step Wall: 9885.64, 0.00312031/step, 1.59153 hours remaining, 234.300781 MB of memory in use. ENERGY: 3163800 3991.0268 20546.1092 14480.8222 268.9326 -203067.7000 2434.3187 0.0000 0.0000 52179.2074 -109167.2830 299.8746 -161346.4905 -108796.3149 299.7712 -254.3152 -223.4637 762060.5709 -2.3355 -2.2789 PRESSURE: 3164000 184.158 -23.9029 -34.8338 -23.9024 -11.3749 33.0546 -34.8338 33.0547 -512.887 GPRESSURE: 3164000 170.353 -66.7597 -55.8073 -12.8595 52.0267 43.599 -12.6475 -59.0464 -494.692 PRESSAVG: 3164000 -4.27399 -23.9494 -19.0417 -23.9495 18.9879 -14.7765 -19.0416 -14.7766 -6.31341 GPRESSAVG: 3164000 -3.30651 -22.9233 -20.7596 -26.1302 19.5937 -16.0193 -16.9872 -14.4236 -7.15173 TIMING: 3164000 CPU: 9886.26, 0.00311262/step Wall: 9886.26, 0.00311262/step, 1.58744 hours remaining, 234.300781 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: 3164000 4020.2681 20483.4973 14493.9829 255.0334 -203449.5737 2852.6863 0.0000 0.0000 52078.0333 -109266.0724 299.2932 -161344.1057 -108896.8331 299.6032 -113.3679 -90.7708 763230.5071 2.8002 3.0451 PRESSURE: 3164200 121.124 -55.5497 320.105 -55.5484 -76.2723 -434.656 320.105 -434.656 -146.08 GPRESSURE: 3164200 127.589 -76.9572 316.691 -20.7961 36.7336 -339.375 305.208 -495.286 -176.417 PRESSAVG: 3164200 -42.1343 13.5907 10.6306 13.5907 41.6032 -38.3761 10.6307 -38.3761 16.2897 GPRESSAVG: 3164200 -42.7675 10.0521 11.4543 16.8155 41.9685 -37.0011 9.46785 -38.2237 16.3986 TIMING: 3164200 CPU: 9886.88, 0.00312798/step Wall: 9886.88, 0.00312798/step, 1.5951 hours remaining, 234.300781 MB of memory in use. ENERGY: 3164200 3998.7989 20617.6835 14465.6177 232.9492 -202954.6260 2470.2393 0.0000 0.0000 51969.4222 -109199.9151 298.6690 -161169.3373 -108852.1511 298.6140 -33.7427 -4.0314 762862.6190 5.2529 5.1999 LDB: ============= START OF LOAD BALANCING ============== 9899.36 LDB: ============== END OF LOAD BALANCING =============== 9899.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9899.37 LDB: ============= START OF LOAD BALANCING ============== 9899.68 LDB: Largest compute 7007 load 0.032629 is 16.7% of average load 0.195175 LDB: Average compute 0.004385 is 2.2% of average load 0.195175 LDB: TIME 9899.69 LOAD: AVG 0.195175 MAX 0.215587 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.082 MB LDB: TIME 9899.69 LOAD: AVG 0.195175 MAX 0.215587 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.176 MB LDB: TIME 9899.69 LOAD: AVG 0.195175 MAX 0.215587 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.176 MB LDB: ============== END OF LOAD BALANCING =============== 9899.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9899.69 PRESSURE: 3164400 195.425 -190.624 101.934 -190.624 131.951 -11.0292 101.934 -11.0294 -60.8691 GPRESSURE: 3164400 196.014 -173.363 19.6717 -152.421 202.337 41.3103 104.69 -62.485 -38.8893 PRESSAVG: 3164400 -79.1829 -8.52375 13.5831 -8.52371 34.1642 -71.7692 13.5831 -71.7692 -5.7138 GPRESSAVG: 3164400 -79.3537 -7.00872 13.3385 -9.51149 33.8523 -71.0929 14.7544 -70.6947 -5.1376 TIMING: 3164400 CPU: 9887.53, 0.00321259/step Wall: 9887.53, 0.00321258/step, 1.63806 hours remaining, 234.277344 MB of memory in use. ENERGY: 3164400 4014.4434 20498.6785 14455.7434 235.4431 -203527.9547 2859.6408 0.0000 0.0000 52380.3329 -109083.6727 301.0305 -161464.0056 -108712.2081 299.4016 88.8358 119.8206 761499.9944 -16.9108 -16.8797 PRESSURE: 3164600 -89.9455 -71.0578 -70.6564 -71.0579 -179.438 173.035 -70.6569 173.035 -191.303 GPRESSURE: 3164600 -53.1791 -53.8327 -45.2951 -60.8266 -169.246 155.085 -30.4604 154.446 -139.273 PRESSAVG: 3164600 -28.9397 3.52783 -22.7196 3.52786 45.2991 -6.75598 -22.7196 -6.75596 -6.33684 GPRESSAVG: 3164600 -28.6995 4.43893 -21.862 5.54432 44.9793 -6.76423 -24.5634 -7.83474 -6.17428 TIMING: 3164600 CPU: 9888.16, 0.00314005/step Wall: 9888.16, 0.00314005/step, 1.6009 hours remaining, 234.480469 MB of memory in use. ENERGY: 3164600 4026.7832 20661.2006 14438.0250 250.9714 -203061.3741 2407.9846 0.0000 0.0000 52079.5975 -109196.8119 299.3022 -161276.4094 -108830.3709 299.9598 -153.5620 -120.5660 761520.2561 3.3408 3.3685 PRESSURE: 3164800 -13.184 123.923 173.683 123.924 -28.6608 -80.607 173.682 -80.6073 -432.632 GPRESSURE: 3164800 28.8704 129.982 135.693 168.692 24.6874 -72.0488 86.2451 -98.8151 -447.363 PRESSAVG: 3164800 26.2608 20.0198 -17.8495 20.0198 -42.6131 48.2625 -17.8497 48.2624 13.2518 GPRESSAVG: 3164800 26.3353 20.0534 -18.6565 18.965 -42.0031 48.5191 -15.0563 46.8851 12.0542 TIMING: 3164800 CPU: 9888.78, 0.00313341/step Wall: 9888.78, 0.00313341/step, 1.59734 hours remaining, 234.480469 MB of memory in use. ENERGY: 3164800 4046.4333 20436.0701 14404.2260 226.6777 -202859.8375 2391.3487 0.0000 0.0000 51941.6876 -109413.3941 298.5096 -161355.0817 -109057.6571 299.3661 -158.1589 -131.2684 761930.3203 -1.0335 -1.2045 PRESSURE: 3165000 48.0682 -125.181 187.492 -125.181 99.5293 98.6472 187.492 98.6473 306.873 GPRESSURE: 3165000 183.781 -74.708 187.982 -126.743 93.3881 66.9516 98.339 120.203 256.652 PRESSAVG: 3165000 -48.0401 1.75911 21.1656 1.7591 7.28603 56.7394 21.1656 56.7394 -6.36023 GPRESSAVG: 3165000 -47.4776 2.82614 19.7842 2.50523 5.71166 54.1968 19.7317 60.1942 -5.67967 TIMING: 3165000 CPU: 9889.41, 0.00312535/step Wall: 9889.41, 0.00312535/step, 1.59306 hours remaining, 234.480469 MB of memory in use. ENERGY: 3165000 3995.4088 20610.1897 14453.1927 241.0126 -203453.3666 2770.4402 0.0000 0.0000 52075.4400 -109307.6827 299.2783 -161383.1227 -108956.0233 299.2556 151.4901 177.9403 761486.2151 -15.7048 -15.8152 PRESSURE: 3165200 226.242 124.77 11.5761 124.771 -60.194 194.356 11.5753 194.355 291.563 GPRESSURE: 3165200 314.391 146.39 -14.6465 200.363 -26.3494 187.905 111.801 151.216 271.998 PRESSAVG: 3165200 -65.0722 55.3318 -45.9891 55.3318 47.369 -35.6433 -45.9891 -35.6432 -1.01873 GPRESSAVG: 3165200 -66.4287 55.3383 -44.4901 54.1925 48.7738 -33.576 -46.7785 -37.3691 -0.735578 TIMING: 3165200 CPU: 9890.03, 0.00311435/step Wall: 9890.03, 0.00311435/step, 1.58728 hours remaining, 234.480469 MB of memory in use. ENERGY: 3165200 3958.4865 20446.1757 14483.4817 236.6690 -203526.1005 2868.6258 0.0000 0.0000 52347.9471 -109184.7147 300.8444 -161532.6618 -108810.9623 299.4830 152.5369 186.6800 761831.5264 -6.2406 -6.1302 PRESSURE: 3165400 -20.1813 174.952 92.3749 174.951 99.0704 -30.3328 92.3756 -30.3328 -26.5042 GPRESSURE: 3165400 -126.326 99.5253 39.3085 106.402 106.399 54.6044 47.7268 -119.606 136.813 PRESSAVG: 3165400 -44.582 14.7209 -41.2168 14.7208 23.4148 -24.1512 -41.2168 -24.1512 30.4043 GPRESSAVG: 3165400 -44.5518 12.0555 -42.3931 15.8545 23.5132 -24.5283 -42.823 -23.6869 29.5809 TIMING: 3165400 CPU: 9890.65, 0.00311238/step Wall: 9890.65, 0.00311238/step, 1.5861 hours remaining, 234.480469 MB of memory in use. ENERGY: 3165400 4032.5142 20534.5605 14469.4754 232.0491 -203222.1728 2756.6874 0.0000 0.0000 52088.3987 -109108.4875 299.3527 -161196.8862 -108742.4383 299.6804 17.4616 38.9619 761943.9488 3.0790 2.8474 PRESSURE: 3165600 60.8567 -24.0679 319.557 -24.0684 -230.57 170.972 319.557 170.973 -417.07 GPRESSURE: 3165600 81.9171 -143.332 291.309 44.1344 -169.68 157.726 98.4248 188.129 -417.123 PRESSAVG: 3165600 6.63553 -8.84628 16.884 -8.84631 2.91185 7.90955 16.884 7.9096 15.5697 GPRESSAVG: 3165600 8.13466 -9.74258 18.013 -8.45772 1.45505 7.06604 16.819 5.2172 16.018 TIMING: 3165600 CPU: 9891.28, 0.00312282/step Wall: 9891.28, 0.00312283/step, 1.59125 hours remaining, 234.480469 MB of memory in use. ENERGY: 3165600 4037.4830 20819.3400 14446.3547 243.6112 -203313.2683 2462.1998 0.0000 0.0000 52150.9204 -109153.3593 299.7121 -161304.2796 -108796.4378 299.8385 -195.5944 -168.2953 761790.5708 8.3723 8.5359 PRESSURE: 3165800 -308.12 -53.0276 -83.7729 -53.0271 -50.4601 73.1006 -83.7727 73.1004 -523.546 GPRESSURE: 3165800 -310.288 46.8298 -112.713 -58.6096 29.5166 60.8343 -18.436 87.4954 -493.821 PRESSAVG: 3165800 8.80488 -44.3514 23.1856 -44.3514 -14.2829 -33.8979 23.1856 -33.8979 -20.27 GPRESSAVG: 3165800 6.99727 -41.2253 22.7558 -46.0488 -13.0515 -33.0233 26.318 -31.5112 -19.4971 TIMING: 3165800 CPU: 9891.9, 0.00311472/step Wall: 9891.9, 0.00311472/step, 1.58695 hours remaining, 234.480469 MB of memory in use. ENERGY: 3165800 4093.7079 20592.3241 14421.1782 240.4488 -203041.6952 2477.6461 0.0000 0.0000 52023.3053 -109193.0847 298.9787 -161216.3900 -108836.4639 300.0073 -294.0419 -258.1975 762356.5450 -8.5827 -8.5171 PRESSURE: 3166000 -314.019 -26.549 165.188 -26.5486 -182.047 -93.7978 165.189 -93.7977 -96.3723 GPRESSURE: 3166000 -294.148 -139.548 114.141 -19.8482 -162.694 -82.6961 52.745 35.1994 -57.8476 PRESSAVG: 3166000 -24.4588 17.6373 -11.2263 17.6373 26.3456 -15.1264 -11.2264 -15.1263 1.84262 GPRESSAVG: 3166000 -24.1525 17.088 -11.9012 18.3762 26.0251 -14.2925 -13.1977 -15.8996 1.98804 TIMING: 3166000 CPU: 9892.53, 0.00313527/step Wall: 9892.53, 0.00313527/step, 1.59725 hours remaining, 234.480469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3166000 4057.1644 20488.1217 14402.8278 247.0274 -203622.2253 2893.0008 0.0000 0.0000 52363.1444 -109170.9387 300.9317 -161534.0831 -108806.3674 299.5924 -197.4796 -171.5632 761596.0185 1.2431 1.2869 PRESSURE: 3166200 98.339 -69.4681 44.083 -69.4682 -251.389 59.389 44.0842 59.3903 -579.684 GPRESSURE: 3166200 134.263 -143.906 83.944 -88.0322 -206.958 65.0549 -21.3888 87.6141 -569.649 PRESSAVG: 3166200 -1.85717 -9.97756 45.1916 -9.9776 21.8642 13.1975 45.1916 13.1975 -13.4663 GPRESSAVG: 3166200 -0.853395 -11.524 43.9673 -11.1248 21.6149 11.9679 45.3064 13.1589 -14.1019 TIMING: 3166200 CPU: 9893.16, 0.0031411/step Wall: 9893.16, 0.0031411/step, 1.60004 hours remaining, 234.480469 MB of memory in use. ENERGY: 3166200 4122.8550 20557.6305 14438.8224 262.0861 -203660.6074 2739.1384 0.0000 0.0000 52346.9322 -109193.1429 300.8385 -161540.0750 -108836.0047 300.1849 -244.2444 -214.1150 760671.7916 2.1802 2.2199 PRESSURE: 3166400 196.219 101.159 141 101.159 107.716 -58.8995 141 -58.8993 224.743 GPRESSURE: 3166400 180.334 121.569 96.236 148.364 117.848 -71.4928 73.4298 55.251 305.052 PRESSAVG: 3166400 12.3777 5.61976 -14.4649 5.61978 -4.10247 1.39696 -14.465 1.39695 -7.36318 GPRESSAVG: 3166400 12.6567 8.31509 -13.4332 5.48958 -4.99849 1.97132 -13.8856 1.83511 -7.05413 TIMING: 3166400 CPU: 9893.78, 0.00312756/step Wall: 9893.78, 0.00312756/step, 1.59297 hours remaining, 234.480469 MB of memory in use. ENERGY: 3166400 3993.4743 20507.0142 14463.7379 242.8258 -203158.4487 2631.5759 0.0000 0.0000 52202.9707 -109116.8499 300.0112 -161319.8206 -108750.8457 299.9331 176.2260 201.0778 761668.6811 0.3040 0.2014 PRESSURE: 3166600 136.053 -136.772 -195.437 -136.772 -22.7643 112.137 -195.437 112.138 -509.928 GPRESSURE: 3166600 147.419 -158.977 -225.281 -14.661 -49.9551 165.626 -354.996 165.155 -424.461 PRESSAVG: 3166600 -22.8965 -29.4046 9.0527 -29.4046 18.8982 -24.4838 9.05274 -24.484 -2.88045 GPRESSAVG: 3166600 -23.5774 -31.8838 8.39568 -27.3815 18.5766 -23.9959 8.60859 -23.883 -2.05434 TIMING: 3166600 CPU: 9894.4, 0.00312036/step Wall: 9894.4, 0.00312036/step, 1.58913 hours remaining, 234.480469 MB of memory in use. ENERGY: 3166600 4073.1825 20498.5901 14477.6524 251.6587 -202568.3710 2198.7885 0.0000 0.0000 51913.2604 -109155.2384 298.3462 -161068.4987 -108802.4374 299.7920 -132.2134 -108.9992 761084.3696 -2.2929 -2.3517 PRESSURE: 3166800 74.4172 38.3451 -41.5259 38.3449 -26.751 -177.248 -41.5261 -177.248 121.557 GPRESSURE: 3166800 109.448 176.822 1.24193 -76.3975 102.365 -9.04403 121.497 -264.593 46.1399 PRESSAVG: 3166800 2.74614 -14.527 -16.3336 -14.5271 9.33526 -14.1397 -16.3336 -14.1397 -8.43963 GPRESSAVG: 3166800 2.49178 -14.0067 -14.935 -15.9191 10.4453 -13.922 -16.269 -15.7636 -9.55498 TIMING: 3166800 CPU: 9895.03, 0.0031446/step Wall: 9895.03, 0.0031446/step, 1.6013 hours remaining, 234.480469 MB of memory in use. ENERGY: 3166800 4001.7720 20547.2386 14408.8114 242.1016 -203250.9692 2592.5982 0.0000 0.0000 52362.9468 -109095.5007 300.9306 -161458.4474 -108727.6816 300.3515 56.4076 85.9843 761732.8316 1.2139 1.1274 PRESSURE: 3167000 43.5956 -73.2398 98.4222 -73.2402 -170.996 117.768 98.4217 117.769 -35.1076 GPRESSURE: 3167000 59.6554 -71.4305 130.267 -6.00979 -187.394 184.785 92.9658 61.3986 54.0191 PRESSAVG: 3167000 -33.3303 -45.1424 24.9261 -45.1424 -11.169 -23.6592 24.9261 -23.6593 7.55005 GPRESSAVG: 3167000 -33.1692 -44.3266 23.8519 -44.4442 -11.8803 -23.8216 25.2229 -22.7906 8.00854 TIMING: 3167000 CPU: 9895.66, 0.00313256/step Wall: 9895.66, 0.00313256/step, 1.595 hours remaining, 234.480469 MB of memory in use. ENERGY: 3167000 4110.5002 20402.9321 14494.2844 242.9616 -203460.2191 2690.4896 0.0000 0.0000 52227.3717 -109291.6793 300.1514 -161519.0511 -108930.1646 299.8585 -54.1694 -24.5732 761652.3552 -12.3164 -12.3470 PRESSURE: 3167200 -280.369 -146.745 -119.38 -146.745 -151.04 177.687 -119.381 177.688 -121.67 GPRESSURE: 3167200 -236.632 -173.961 -14.1188 -187.406 -177.966 120.079 -234.967 99.8261 -57.5887 PRESSAVG: 3167200 34.8467 -64.6788 -16.3111 -64.6788 -19.9967 -9.87921 -16.3111 -9.87917 -16.8857 GPRESSAVG: 3167200 35.3394 -63.3636 -17.5944 -66.6719 -20.8857 -11.1386 -15.6483 -8.77843 -16.4116 TIMING: 3167200 CPU: 9896.29, 0.003134/step Wall: 9896.29, 0.003134/step, 1.59555 hours remaining, 234.480469 MB of memory in use. ENERGY: 3167200 3984.9253 20501.7861 14459.2813 260.7235 -203244.8884 2549.8613 0.0000 0.0000 52240.8364 -109247.4746 300.2288 -161488.3110 -108877.8138 299.6768 -184.3596 -157.3956 763055.6901 -0.6786 -0.6526 PRESSURE: 3167400 102.181 -34.036 190.228 -34.0358 -99.9339 -102.714 190.228 -102.713 -49.1741 GPRESSURE: 3167400 8.18939 -62.9201 194.597 -66.7806 97.0181 -69.7231 79.0172 -74.9246 -59.9917 PRESSAVG: 3167400 33.8431 -40.6316 20.3789 -40.6316 -49.9003 -46.4466 20.3789 -46.4465 1.99132 GPRESSAVG: 3167400 33.2561 -42.5029 21.6524 -37.6299 -49.0022 -45.6092 20.8889 -47.2601 1.62501 TIMING: 3167400 CPU: 9896.91, 0.00312646/step Wall: 9896.91, 0.00312646/step, 1.59154 hours remaining, 234.480469 MB of memory in use. ENERGY: 3167400 4057.9340 20510.5776 14465.8377 262.1878 -203501.2440 2660.9638 0.0000 0.0000 52307.7342 -109236.0088 300.6133 -161543.7430 -108871.7798 299.5902 -15.6422 15.0719 761869.7791 -4.6886 -4.7070 PRESSURE: 3167600 -91.4395 -163.618 116.235 -163.619 189.805 132.981 116.234 132.982 120.149 GPRESSURE: 3167600 -52.6339 -122.329 -89.1777 -103.953 187.785 178.443 81.461 103.784 178.462 PRESSAVG: 3167600 25.1834 -46.3467 -2.79873 -46.3468 0.640812 10.337 -2.79878 10.337 -24.7803 GPRESSAVG: 3167600 24.9739 -48.0792 -2.88 -46.398 0.615958 10.8285 -3.64192 10.5686 -24.5305 TIMING: 3167600 CPU: 9897.54, 0.00313526/step Wall: 9897.54, 0.00313526/step, 1.59585 hours remaining, 234.480469 MB of memory in use. ENERGY: 3167600 3984.3849 20495.1716 14458.0720 249.4720 -203518.8339 2748.6007 0.0000 0.0000 52170.5704 -109412.5624 299.8250 -161583.1328 -109052.7936 299.9327 72.8382 104.5377 759412.1299 0.3480 0.3531 PRESSURE: 3167800 -115.75 -143.67 -313.279 -143.67 311.866 -320.109 -313.28 -320.11 -153.115 GPRESSURE: 3167800 -87.0497 -261.058 -340.256 -36.5759 309.239 -299.326 -255.763 -249.845 -105.981 PRESSAVG: 3167800 20.3392 -63.5091 -24.7168 -63.5091 29.5879 -68.6103 -24.7167 -68.6102 2.56743 GPRESSAVG: 3167800 20.8513 -60.1995 -24.2209 -66.885 30.8453 -68.1221 -24.9623 -68.2506 1.56688 TIMING: 3167800 CPU: 9898.16, 0.00310967/step Wall: 9898.16, 0.00310967/step, 1.58265 hours remaining, 234.480469 MB of memory in use. ENERGY: 3167800 4010.4801 20692.2619 14439.0899 252.3261 -203340.3604 2582.5307 0.0000 0.0000 51977.9479 -109385.7237 298.7180 -161363.6716 -109026.4371 299.4467 14.3337 38.7361 760738.5254 17.4982 17.7545 PRESSURE: 3168000 -53.9924 -64.2487 -85.5411 -64.249 130.949 49.3989 -85.5408 49.3979 116.216 GPRESSURE: 3168000 -7.78048 1.73196 2.66222 -93.1854 132.609 77.875 -37.0213 -19.1879 159.042 PRESSAVG: 3168000 20.7297 -80.328 54.3329 -80.328 8.92534 -15.9738 54.3328 -15.9738 -5.03108 GPRESSAVG: 3168000 20.4884 -82.8191 53.9049 -76.8255 8.37304 -17.3503 54.8079 -15.4962 -4.06903 TIMING: 3168000 CPU: 9898.79, 0.00312707/step Wall: 9898.79, 0.00312707/step, 1.59133 hours remaining, 234.480469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3168000 4018.2339 20634.1569 14434.9783 249.6773 -203629.6585 2709.2706 0.0000 0.0000 51855.4945 -109727.8470 298.0142 -161583.3415 -109368.2137 298.8366 64.3906 94.6234 760811.4979 8.2080 8.2641 PRESSURE: 3168200 167.498 -20.496 172.223 -20.4953 -329.381 140.874 172.223 140.874 -505.292 GPRESSURE: 3168200 118.373 -43.7886 68.3898 -139.027 -204.264 145.376 187.152 146.316 -515.672 PRESSAVG: 3168200 16.7872 -9.98067 17.2991 -9.9807 49.4506 -30.7572 17.2991 -30.7572 -14.4529 GPRESSAVG: 3168200 15.6025 -10.2388 17.5628 -10.4545 49.5231 -31.0078 17.6692 -31.7808 -13.5192 TIMING: 3168200 CPU: 9899.42, 0.00314157/step Wall: 9899.42, 0.00314157/step, 1.59854 hours remaining, 234.480469 MB of memory in use. ENERGY: 3168200 3985.2527 20526.1701 14457.8220 256.7749 -203327.4137 2444.8190 0.0000 0.0000 51952.6785 -109703.8963 298.5728 -161656.5748 -109335.5926 298.9244 -222.3916 -200.5212 761177.5374 17.2616 17.2021 LDB: ============= START OF LOAD BALANCING ============== 9911.89 LDB: ============== END OF LOAD BALANCING =============== 9911.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9911.9 LDB: ============= START OF LOAD BALANCING ============== 9912.21 LDB: Largest compute 7007 load 0.030361 is 15.6% of average load 0.195210 LDB: Average compute 0.004383 is 2.2% of average load 0.195210 LDB: TIME 9912.22 LOAD: AVG 0.19521 MAX 0.216332 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.73 MB LDB: TIME 9912.22 LOAD: AVG 0.19521 MAX 0.216332 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.934 MB LDB: TIME 9912.22 LOAD: AVG 0.19521 MAX 0.216332 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.934 MB LDB: ============== END OF LOAD BALANCING =============== 9912.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9912.22 PRESSURE: 3168400 -131.104 74.4933 78.7879 74.493 -61.8823 87.83 78.7875 87.8302 -42.3797 GPRESSURE: 3168400 -154.428 109.625 69.9029 80.9676 -70.4178 47.1841 49.5644 118.682 67.3318 PRESSAVG: 3168400 85.1945 -47.2392 59.1712 -47.2392 -44.4089 -26.5285 59.1712 -26.5284 -9.92894 GPRESSAVG: 3168400 85.6988 -46.3333 59.183 -47.3069 -44.9087 -25.6704 58.9848 -28.2908 -10.7652 TIMING: 3168400 CPU: 9900.06, 0.00321396/step Wall: 9900.06, 0.00321396/step, 1.63519 hours remaining, 234.253906 MB of memory in use. ENERGY: 3168400 3982.1266 20540.5843 14444.8563 249.3778 -203396.4083 2599.8242 0.0000 0.0000 51769.2116 -109810.4275 297.5184 -161579.6391 -109436.7199 298.6482 -78.4553 -52.5045 761869.6272 10.2855 10.0083 PRESSURE: 3168600 43.0666 11.0189 -31.0899 11.0184 78.3979 -52.9068 -31.0894 -52.9072 -152.011 GPRESSURE: 3168600 141.62 53.4805 21.0962 -50.5327 99.9582 -114.122 48.5195 73.9491 -174.772 PRESSAVG: 3168600 95.981 0.375095 13.0004 0.375057 -36.7779 -31.4283 13.0004 -31.4282 -15.704 GPRESSAVG: 3168600 96.29 -0.62109 11.7085 -0.548765 -35.8742 -31.5094 11.8289 -29.7503 -16.2992 TIMING: 3168600 CPU: 9900.69, 0.00314257/step Wall: 9900.69, 0.00314257/step, 1.5987 hours remaining, 234.457031 MB of memory in use. ENERGY: 3168600 4003.3848 20544.2146 14490.0062 237.5934 -203160.4011 2462.9242 0.0000 0.0000 51807.8749 -109614.4029 297.7406 -161422.2779 -109260.3442 298.5960 -10.1820 22.2688 760482.4644 14.4997 14.7056 PRESSURE: 3168800 114.952 171.182 -14.1951 171.181 67.6336 -128.168 -14.1948 -128.167 -178.377 GPRESSURE: 3168800 68.1875 8.89883 -31.246 -26.8925 184.271 -176.105 -7.14323 -18.6016 -167.686 PRESSAVG: 3168800 -6.68459 -12.4254 29.0586 -12.4254 -8.73353 -23.4678 29.0586 -23.4678 17.5793 GPRESSAVG: 3168800 -5.88822 -11.3918 29.7355 -12.5559 -8.95818 -24.3288 29.3302 -21.7301 17.2595 TIMING: 3168800 CPU: 9901.32, 0.00314655/step Wall: 9901.32, 0.00314655/step, 1.60055 hours remaining, 234.457031 MB of memory in use. ENERGY: 3168800 3936.6791 20493.4350 14419.0654 248.4112 -203552.8579 2659.3035 0.0000 0.0000 51953.3856 -109842.5782 298.5768 -161795.9637 -109471.3862 298.5194 1.4028 28.2575 759602.0776 0.7204 0.8044 PRESSURE: 3169000 239.177 -40.6405 24.7941 -40.6408 -82.9383 12.6863 24.7951 12.6867 -461.065 GPRESSURE: 3169000 224.26 0.862156 102.461 -87.9436 -9.27957 -43.9839 -42.6917 -23.294 -417.219 PRESSAVG: 3169000 -29.7522 10.1729 7.50049 10.1729 0.914473 -43.208 7.50049 -43.2079 8.36902 GPRESSAVG: 3169000 -32.3263 8.67644 8.77427 10.3913 1.19172 -43.5223 10.4713 -42.4651 10.4428 TIMING: 3169000 CPU: 9901.94, 0.00313462/step Wall: 9901.94, 0.00313462/step, 1.5943 hours remaining, 234.457031 MB of memory in use. ENERGY: 3169000 3948.8231 20533.2292 14424.1315 248.8387 -203457.7408 2671.7204 0.0000 0.0000 51774.6785 -109856.3193 297.5498 -161630.9978 -109483.7475 297.4871 -101.6089 -67.4127 760601.6036 -6.8229 -6.8973 PRESSURE: 3169200 216.743 -96.5954 -330.975 -96.5959 230.989 -50.0844 -330.975 -50.0839 299.602 GPRESSURE: 3169200 262.314 -125.92 -329.507 -1.82455 295.336 10.8991 -228.354 63.4576 269.73 PRESSAVG: 3169200 -42.735 -0.306298 17.9087 -0.306347 19.9724 -37.8503 17.9086 -37.8504 -0.848539 GPRESSAVG: 3169200 -40.9819 1.02159 17.5253 -0.403533 20.3079 -37.006 13.0202 -41.059 -2.56852 TIMING: 3169200 CPU: 9902.57, 0.00314355/step Wall: 9902.57, 0.00314355/step, 1.59867 hours remaining, 234.457031 MB of memory in use. ENERGY: 3169200 3989.8117 20417.2482 14466.3800 239.2931 -203756.1770 3171.9466 0.0000 0.0000 51650.2574 -109821.2400 296.8347 -161471.4974 -109464.9919 297.7632 249.1116 275.7932 762236.6913 -7.8704 -7.7475 PRESSURE: 3169400 -176.492 -318.006 -141.825 -318.005 -166.972 -85.3068 -141.826 -85.3078 -121.554 GPRESSURE: 3169400 -162.188 -346.308 -156.868 -184.181 -122.015 -95.8953 -113.472 -61.8176 -83.2582 PRESSAVG: 3169400 -50.6298 -7.42316 13.2346 -7.42316 44.8644 -39.1242 13.2346 -39.1242 7.07983 GPRESSAVG: 3169400 -50.6724 -7.52911 12.5742 -7.12455 44.4116 -40.4617 12.9588 -36.3904 7.2644 TIMING: 3169400 CPU: 9903.2, 0.00312978/step Wall: 9903.2, 0.00312978/step, 1.59149 hours remaining, 234.457031 MB of memory in use. ENERGY: 3169400 3975.7192 20747.6317 14409.4775 240.5400 -203394.4266 2580.1154 0.0000 0.0000 51848.6092 -109592.3337 297.9747 -161440.9428 -109225.2050 298.0086 -155.0059 -122.4872 761755.6101 0.4382 0.3345 PRESSURE: 3169600 383.444 5.08431 -263.592 5.08349 60.3164 16.4576 -263.591 16.4569 646.221 GPRESSURE: 3169600 336.909 12.8969 -271.99 5.08838 152.575 68.1103 -192.327 -8.58367 706.533 PRESSAVG: 3169600 29.6049 -30.3382 66.7871 -30.3381 -13.2312 21.5453 66.7871 21.5453 -1.63463 GPRESSAVG: 3169600 29.1058 -28.8311 65.102 -30.763 -12.8362 23.7488 69.8371 16.9244 -1.30999 TIMING: 3169600 CPU: 9903.82, 0.00313864/step Wall: 9903.82, 0.00313864/step, 1.59582 hours remaining, 234.457031 MB of memory in use. ENERGY: 3169600 3965.1747 20568.7395 14434.2436 243.5679 -203076.9099 2598.6874 0.0000 0.0000 51897.7439 -109368.7530 298.2570 -161266.4969 -109011.3858 298.5810 363.3269 398.6722 760348.4823 4.9130 4.9865 PRESSURE: 3169800 254.434 158.457 -157.036 158.458 183.35 24.7188 -157.036 24.7189 25.9167 GPRESSURE: 3169800 312.48 130.852 -167.524 178.259 220.856 108.26 -108.482 33.3678 7.9292 PRESSAVG: 3169800 30.5802 -44.2555 3.10698 -44.2555 -61.3903 -55.392 3.10693 -55.392 7.13785 GPRESSAVG: 3169800 31.3617 -43.7336 3.72481 -44.3481 -62.4389 -56.1756 1.51507 -51.6461 7.55228 TIMING: 3169800 CPU: 9904.45, 0.0031398/step Wall: 9904.45, 0.0031398/step, 1.59624 hours remaining, 234.457031 MB of memory in use. ENERGY: 3169800 3950.2412 20489.4065 14427.0673 262.0244 -203638.1083 2988.0136 0.0000 0.0000 52107.4827 -109413.8725 299.4624 -161521.3552 -109051.4977 298.8680 154.5667 180.4216 761312.2801 -7.8908 -7.8416 PRESSURE: 3170000 -129.425 -159.844 105.603 -159.844 -46.7908 69.0272 105.603 69.0275 -163.058 GPRESSURE: 3170000 -97.2169 -189.142 137.34 -42.4374 -30.141 -20.1076 147.309 83.5011 -103.03 PRESSAVG: 3170000 33.1085 -19.8548 34.8097 -19.8548 -31.4799 -33.3771 34.8097 -33.3771 -24.9863 GPRESSAVG: 3170000 32.8386 -19.112 35.2581 -18.0923 -30.4913 -32.4769 36.406 -33.955 -25.4496 TIMING: 3170000 CPU: 9905.08, 0.00314918/step Wall: 9905.08, 0.00314918/step, 1.60083 hours remaining, 234.457031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3170000 3996.5992 20378.1473 14513.6110 264.0115 -203038.6284 2310.3863 0.0000 0.0000 51894.7850 -109681.0882 298.2400 -161575.8732 -109326.4189 298.7107 -113.0912 -76.7960 761955.4105 -7.7859 -7.7008 PRESSURE: 3170200 -274.513 -20.4667 24.8881 -20.4677 399.381 81.9825 24.888 81.9828 -80.1593 GPRESSURE: 3170200 -186.33 -51.6362 108.205 -90.7182 358.015 119.386 138.495 -67.9925 -48.5801 PRESSAVG: 3170200 -0.671693 -14.866 23.2666 -14.866 -34.9465 7.66057 23.2666 7.66066 26.6366 GPRESSAVG: 3170200 0.682012 -17.732 21.8577 -15.1041 -35.4897 7.88705 22.5009 5.7815 26.1433 TIMING: 3170200 CPU: 9905.71, 0.00314206/step Wall: 9905.71, 0.00314206/step, 1.59704 hours remaining, 234.457031 MB of memory in use. ENERGY: 3170200 3919.0394 20598.4941 14407.5199 241.1348 -203086.7069 2517.2761 0.0000 0.0000 51974.4027 -109428.8400 298.6976 -161403.2427 -109068.5095 299.0073 14.9031 41.0352 761794.3093 -2.9939 -2.8881 PRESSURE: 3170400 128.215 80.4259 97.6124 80.4259 -168.01 -216.977 97.6126 -216.977 -185.983 GPRESSURE: 3170400 88.8932 87.7938 122.399 8.22187 -80.6844 -120.744 -39.4457 -163.353 -147.479 PRESSAVG: 3170400 19.3358 -5.59052 -13.7227 -5.59057 -18.807 -11.7848 -13.7227 -11.7848 4.74566 GPRESSAVG: 3170400 18.1326 -3.34449 -11.4918 -8.56744 -18.9279 -14.0467 -13.7572 -10.1512 5.25799 TIMING: 3170400 CPU: 9906.34, 0.0031221/step Wall: 9906.34, 0.0031221/step, 1.58672 hours remaining, 234.457031 MB of memory in use. ENERGY: 3170400 4040.7367 20632.6486 14451.6608 248.2888 -203440.5231 2657.4801 0.0000 0.0000 51880.0608 -109529.6475 298.1554 -161409.7082 -109170.5725 299.0638 -75.2595 -46.4235 760573.2848 1.7582 1.4876 PRESSURE: 3170600 70.1805 -123.191 46.1243 -123.191 86.2209 -18.3993 46.1236 -18.3979 148.999 GPRESSURE: 3170600 170.881 -23.433 70.4068 -32.5698 161.435 -10.998 -0.590049 55.8648 74.0701 PRESSAVG: 3170600 60.8819 14.2402 -10.1978 14.2402 -56.9285 16.6917 -10.1978 16.6917 -30.9699 GPRESSAVG: 3170600 61.0147 14.0357 -10.6296 16.0233 -57.6676 18.1687 -10.5851 18.5363 -30.2584 TIMING: 3170600 CPU: 9906.96, 0.00311105/step Wall: 9906.96, 0.00311105/step, 1.58093 hours remaining, 234.457031 MB of memory in use. ENERGY: 3170600 3921.3143 20705.2503 14456.2027 244.3673 -203786.7956 2618.9805 0.0000 0.0000 52256.6403 -109584.0402 300.3196 -161840.6805 -109210.6779 298.7839 101.8001 135.4619 761454.3704 -9.0055 -8.9704 PRESSURE: 3170800 -193.932 -28.9919 -174.272 -28.9919 81.8226 66.3328 -174.273 66.3325 -235.625 GPRESSURE: 3170800 -137.476 -76.0584 -197.905 -5.56051 95.2675 104.172 -62.6352 -7.2679 -228.045 PRESSAVG: 3170800 39.1188 2.2107 -13.8756 2.21069 28.0081 -9.85036 -13.8755 -9.8503 -1.28141 GPRESSAVG: 3170800 38.5992 0.471473 -15.1752 2.43874 29.8405 -9.67489 -13.5209 -11.5942 -2.40472 TIMING: 3170800 CPU: 9907.58, 0.0031233/step Wall: 9907.58, 0.0031233/step, 1.58698 hours remaining, 234.457031 MB of memory in use. ENERGY: 3170800 3975.2432 20491.9292 14474.9401 229.5783 -203285.3890 2673.6376 0.0000 0.0000 52096.7271 -109343.3334 299.4006 -161440.0605 -108980.7847 298.9697 -115.9116 -90.0843 761459.4773 21.9485 22.0117 PRESSURE: 3171000 -72.6952 -149.331 -74.2426 -149.332 50.275 189.802 -74.2426 189.802 -155.194 GPRESSURE: 3171000 34.2103 -228.816 10.7477 -61.1516 76.1011 60.1384 -126.077 211.554 -213.232 PRESSAVG: 3171000 -14.6636 22.3771 -39.0033 22.3772 1.51902 4.04678 -39.0033 4.04683 -22.8404 GPRESSAVG: 3171000 -14.5568 22.7875 -38.6251 23.2091 1.38056 2.52878 -38.2968 4.86319 -22.6557 TIMING: 3171000 CPU: 9908.21, 0.00312175/step Wall: 9908.21, 0.00312175/step, 1.58602 hours remaining, 234.457031 MB of memory in use. ENERGY: 3171000 4003.2560 20547.9679 14412.0766 242.3108 -203809.0455 2986.9451 0.0000 0.0000 52098.7552 -109517.7338 299.4123 -161616.4891 -109148.6895 299.0788 -59.2047 -34.3070 761043.8531 -11.9950 -11.9440 PRESSURE: 3171200 -277.002 -133.569 -136.579 -133.569 -189.345 -158.538 -136.579 -158.538 -336.346 GPRESSURE: 3171200 -278.758 -227.621 -183.2 -232.458 -135.497 -300.585 -148.725 -113.774 -302.769 PRESSAVG: 3171200 4.09251 -90.692 -4.62626 -90.6921 -25.7579 -31.0456 -4.62626 -31.0456 3.85585 GPRESSAVG: 3171200 3.82621 -92.1988 -3.70613 -92.3065 -26.6988 -30.0883 -6.12544 -30.4583 5.76569 TIMING: 3171200 CPU: 9908.83, 0.00311742/step Wall: 9908.83, 0.00311742/step, 1.58365 hours remaining, 234.457031 MB of memory in use. ENERGY: 3171200 3960.6738 20554.1969 14411.2341 232.5215 -203128.3434 2515.3875 0.0000 0.0000 52190.2033 -109264.1263 299.9378 -161454.3296 -108891.3111 299.1485 -267.5642 -239.0080 762143.9306 -5.9365 -5.7023 PRESSURE: 3171400 115.317 68.9704 164.113 68.9706 96.8266 206.736 164.113 206.737 -231.405 GPRESSURE: 3171400 177.928 123.69 210.604 53.031 33.7978 194.621 148.278 288.786 -136.177 PRESSAVG: 3171400 20.5735 8.96862 47.3339 8.96867 12.2156 25.5626 47.3338 25.5627 21.2567 GPRESSAVG: 3171400 21.1145 9.87461 46.4814 12.2427 13.051 25.9468 48.2639 24.9616 20.255 TIMING: 3171400 CPU: 9909.46, 0.00312722/step Wall: 9909.46, 0.00312722/step, 1.58845 hours remaining, 234.457031 MB of memory in use. ENERGY: 3171400 4055.0617 20486.0343 14376.3528 264.6022 -203178.3603 2478.4620 0.0000 0.0000 52217.5143 -109300.3330 300.0948 -161517.8473 -108939.7068 299.3505 -6.4204 25.1829 761099.2192 18.0153 18.1402 PRESSURE: 3171600 -136.178 -173.903 42.0102 -173.903 238.886 276.656 42.0104 276.656 339.253 GPRESSURE: 3171600 -115.268 -231.534 133.099 -28.9905 270.109 233.092 61.4424 160.242 383.583 PRESSAVG: 3171600 0.578565 -70.6828 30.4364 -70.6828 -20.488 -0.0250438 30.4364 -0.0250313 -15.4276 GPRESSAVG: 3171600 0.502119 -68.3558 32.034 -72.5741 -19.2493 -0.816473 29.3247 0.011742 -16.0772 TIMING: 3171600 CPU: 9910.08, 0.00313861/step Wall: 9910.08, 0.00313861/step, 1.59407 hours remaining, 234.457031 MB of memory in use. ENERGY: 3171600 3897.9415 20759.6441 14393.3683 239.4091 -203529.2840 2813.0370 0.0000 0.0000 52033.7225 -109392.1616 299.0385 -161425.8841 -109032.7010 299.7250 147.3205 179.4747 761075.9374 -11.7790 -11.6081 PRESSURE: 3171800 7.94966 70.8085 -50.5052 70.8094 48.5855 107.351 -50.5055 107.352 352.123 GPRESSURE: 3171800 -10.6026 83.6049 -165.187 81.8095 82.7705 -21.2302 -51.5032 124.239 427.226 PRESSAVG: 3171800 3.13027 -32.1472 73.0963 -32.1473 -6.61867 33.7494 73.0963 33.7494 14.4239 GPRESSAVG: 3171800 4.66603 -31.8195 72.5477 -30.6921 -7.2527 34.5488 72.3279 32.7563 14.0093 TIMING: 3171800 CPU: 9910.71, 0.00312741/step Wall: 9910.71, 0.00312741/step, 1.5882 hours remaining, 234.457031 MB of memory in use. ENERGY: 3171800 3928.8537 20594.0919 14497.4101 258.0863 -203598.0886 2839.3796 0.0000 0.0000 52015.9637 -109464.3032 298.9365 -161480.2670 -109104.2771 299.4887 136.2193 166.4646 763138.1174 3.6452 3.8075 PRESSURE: 3172000 311.369 87.7431 -50.6522 87.7439 -168.074 227.327 -50.6523 227.328 -87.0672 GPRESSURE: 3172000 250.905 48.2155 -16.2726 -8.54868 -123.337 168.032 -19.1205 195.747 0.890549 PRESSAVG: 3172000 48.3172 -53.4683 15.8029 -53.4683 0.0683371 18.5413 15.8029 18.5413 15.4712 GPRESSAVG: 3172000 47.2289 -53.5936 15.4303 -54.49 1.29089 18.7443 17.0754 19.8543 15.913 TIMING: 3172000 CPU: 9911.34, 0.00313605/step Wall: 9911.34, 0.00313605/step, 1.59242 hours remaining, 234.457031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3172000 3902.7840 20691.1350 14464.5002 232.1058 -203255.1834 2503.7139 0.0000 0.0000 52006.8157 -109454.1287 298.8839 -161460.9444 -109097.1021 299.1072 18.7427 42.8192 762495.1312 21.2856 21.4776 PRESSURE: 3172200 246.152 -103.24 -89.0559 -103.239 286.223 -23.2825 -89.0552 -23.2833 -40.6679 GPRESSURE: 3172200 298.374 -182.539 -72.9172 -2.31237 171.626 -95.6941 1.44965 90.5195 88.0122 PRESSAVG: 3172200 30.2167 20.9385 -7.2543 20.9386 -57.0269 4.71159 -7.25422 4.71157 -32.3089 GPRESSAVG: 3172200 30.9604 18.3227 -9.43886 21.3571 -58.7415 4.102 -7.06513 4.52791 -31.6955 TIMING: 3172200 CPU: 9911.97, 0.00315542/step Wall: 9911.97, 0.00315542/step, 1.60208 hours remaining, 234.457031 MB of memory in use. ENERGY: 3172200 3982.9704 20521.9600 14400.1346 222.6034 -203468.3649 2808.8453 0.0000 0.0000 52060.1729 -109471.6783 299.1905 -161531.8512 -109117.5208 299.2169 163.9024 186.0040 761381.8094 -19.7064 -19.8255 LDB: ============= START OF LOAD BALANCING ============== 9924.45 LDB: ============== END OF LOAD BALANCING =============== 9924.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9924.45 LDB: ============= START OF LOAD BALANCING ============== 9924.76 LDB: Largest compute 7007 load 0.032436 is 16.6% of average load 0.195095 LDB: Average compute 0.004388 is 2.2% of average load 0.195095 LDB: TIME 9924.77 LOAD: AVG 0.195095 MAX 0.214112 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.742 MB LDB: TIME 9924.77 LOAD: AVG 0.195095 MAX 0.214112 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.742 MB LDB: TIME 9924.77 LOAD: AVG 0.195095 MAX 0.214112 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.742 MB LDB: ============== END OF LOAD BALANCING =============== 9924.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9924.78 PRESSURE: 3172400 228.189 -123.85 -27.7388 -123.851 343.379 -159.251 -27.739 -159.251 139.587 GPRESSURE: 3172400 282.493 -149.311 50.4281 -144.068 354.657 -123.483 22.82 -51.7303 165.538 PRESSAVG: 3172400 -13.9195 -4.30017 10.4983 -4.30017 21.8597 25.5542 10.4982 25.5542 7.17799 GPRESSAVG: 3172400 -14.0156 -1.8845 12.0425 -6.52662 20.8968 24.2125 10.345 26.7079 7.99032 TIMING: 3172400 CPU: 9912.61, 0.00321819/step Wall: 9912.61, 0.00321819/step, 1.63377 hours remaining, 235.792969 MB of memory in use. ENERGY: 3172400 3979.4951 20414.4256 14362.5803 249.5579 -203456.3980 2880.0363 0.0000 0.0000 51929.2746 -109641.0283 298.4383 -161570.3029 -109273.6465 298.9729 237.0517 267.5627 762233.3761 5.0394 4.9571 PRESSURE: 3172600 173.393 -63.9013 98.0416 -63.9019 356.887 -157.385 98.0409 -157.384 347.116 GPRESSURE: 3172600 218.054 -169.872 105.555 -74.8056 403.894 -126.685 160.382 -228.821 354.976 PRESSAVG: 3172600 -17.6181 -11.0054 11.5111 -11.0054 41.875 -16.4509 11.5111 -16.4509 8.92635 GPRESSAVG: 3172600 -17.6678 -13.4011 11.0113 -8.79747 42.9792 -14.1152 12.8642 -18.5148 7.79773 TIMING: 3172600 CPU: 9913.24, 0.00313449/step Wall: 9913.24, 0.00313449/step, 1.5911 hours remaining, 235.847656 MB of memory in use. ENERGY: 3172600 3993.4554 20420.6154 14488.2311 244.2385 -203511.3966 2947.6635 0.0000 0.0000 51887.7283 -109529.4643 298.1995 -161417.1926 -109177.3737 298.2139 292.4653 325.6416 762016.0479 11.0611 11.0364 PRESSURE: 3172800 -130.825 -19.883 84.6753 -19.8832 180.993 62.5084 84.675 62.509 194.791 GPRESSURE: 3172800 -39.8147 -32.2379 165.818 35.3152 140.678 141.333 40.2016 26.1521 211.616 PRESSAVG: 3172800 4.53757 -62.7959 -21.3955 -62.7958 -36.8908 -6.44654 -21.3955 -6.44654 12.9094 GPRESSAVG: 3172800 4.96537 -61.2802 -21.1407 -61.2177 -37.242 -7.17136 -22.4989 -4.8353 12.5257 TIMING: 3172800 CPU: 9913.86, 0.00312301/step Wall: 9913.86, 0.00312301/step, 1.5851 hours remaining, 235.847656 MB of memory in use. ENERGY: 3172800 3984.7956 20597.3878 14472.2145 224.8727 -203084.8204 2776.1537 0.0000 0.0000 51797.9180 -109231.4782 297.6833 -161029.3962 -108872.6029 298.9503 81.6531 104.1601 764950.7564 -6.4813 -6.5836 PRESSURE: 3173000 -124.686 -41.5002 95.3107 -41.4996 -504.243 89.4655 95.3104 89.4648 -82.9751 GPRESSURE: 3173000 -170.765 -24.3038 121.993 -47.4476 -360.969 116.584 74.1096 36.7581 -113.206 PRESSAVG: 3173000 45.8995 -4.10691 -13.8499 -4.10688 -53.5213 58.4234 -13.8498 58.4234 -2.49025 GPRESSAVG: 3173000 45.1432 -3.78673 -13.1733 -7.67728 -53.8932 57.8038 -13.9344 58.6894 -1.9948 TIMING: 3173000 CPU: 9914.49, 0.00312175/step Wall: 9914.49, 0.00312175/step, 1.58429 hours remaining, 235.914062 MB of memory in use. ENERGY: 3173000 3976.2864 20501.6923 14526.6008 252.8360 -202994.3215 2599.1165 0.0000 0.0000 52057.0123 -109080.7772 299.1724 -161137.7895 -108715.8530 299.7137 -237.3012 -214.9801 765259.2723 -3.3707 -3.5816 PRESSURE: 3173200 470.57 -81.5921 -98.3455 -81.5921 175.922 41.192 -98.3458 41.1927 -29.2529 GPRESSURE: 3173200 402.531 46.3795 -219.372 3.94277 216.508 83.8279 -95.1382 -21.4582 61.7144 PRESSAVG: 3173200 -26.1484 6.37241 -26.7953 6.37241 -30.9533 29.7209 -26.7954 29.7208 12.332 GPRESSAVG: 3173200 -26.487 5.1676 -26.1565 8.48877 -29.4115 30.7118 -26.9914 27.4143 11.5591 TIMING: 3173200 CPU: 9915.11, 0.00314093/step Wall: 9915.11, 0.00314093/step, 1.59385 hours remaining, 235.914062 MB of memory in use. ENERGY: 3173200 4050.8286 20490.1698 14558.5613 254.0463 -203272.6379 2612.0469 0.0000 0.0000 52190.7246 -109116.2604 299.9408 -161306.9850 -108765.0698 299.3187 205.7462 226.9179 760786.2590 -14.9232 -14.7798 PRESSURE: 3173400 45.5308 -103.913 -31.6435 -103.912 143.165 -11.9208 -31.6432 -11.9213 -300.194 GPRESSURE: 3173400 26.2336 -105.789 -9.74169 -0.846941 216.439 53.6099 8.48499 37.0749 -288.607 PRESSAVG: 3173400 -23.4248 38.7958 50.5459 38.7958 44.9518 28.7514 50.5458 28.7515 5.60416 GPRESSAVG: 3173400 -23.1874 37.6915 47.7832 38.0706 43.9261 29.0336 52.0625 29.1776 5.91784 TIMING: 3173400 CPU: 9915.74, 0.00313426/step Wall: 9915.74, 0.00313426/step, 1.59029 hours remaining, 235.914062 MB of memory in use. ENERGY: 3173400 3924.4786 20539.5241 14441.3433 250.3045 -203225.9601 2642.8149 0.0000 0.0000 52158.3752 -109269.1196 299.7549 -161427.4948 -108909.9106 299.6920 -37.1662 -15.3115 760500.4101 9.0437 8.8855 PRESSURE: 3173600 -329.655 63.8261 173.988 63.8267 -49.5172 84.6488 173.987 84.649 -519.177 GPRESSURE: 3173600 -243.846 281.485 239.189 13.361 -128.481 -13.5416 170.764 92.9421 -455.954 PRESSAVG: 3173600 32.539 23.8329 -8.87008 23.833 -10.2521 -25.9331 -8.87006 -25.9331 -3.51208 GPRESSAVG: 3173600 32.7078 25.2085 -7.54592 23.3141 -11.2959 -25.8011 -7.88093 -25.6495 -2.52665 TIMING: 3173600 CPU: 9916.37, 0.00314075/step Wall: 9916.37, 0.00314075/step, 1.59341 hours remaining, 235.914062 MB of memory in use. ENERGY: 3173600 4020.3650 20755.8061 14438.3296 246.1175 -203198.5237 2431.0536 0.0000 0.0000 51961.2563 -109345.5957 298.6221 -161306.8519 -108981.4716 299.5946 -299.4496 -276.0936 761156.4976 6.2583 6.2951 PRESSURE: 3173800 -369.32 -79.0908 -35.8817 -79.0913 -260.081 -103.967 -35.8816 -103.966 -11.273 GPRESSURE: 3173800 -306.924 -26.8126 -55.7998 41.6663 -227.947 -122.385 -95.2416 -62.3498 -5.85265 PRESSAVG: 3173800 -49.6966 -14.9848 1.04988 -14.9847 24.7602 -31.2308 1.04985 -31.2309 17.8654 GPRESSAVG: 3173800 -48.0392 -14.6568 1.33736 -14.8577 23.4205 -31.0185 -2.47759 -30.4867 17.0099 TIMING: 3173800 CPU: 9917, 0.00313631/step Wall: 9917, 0.00313631/step, 1.59098 hours remaining, 235.984375 MB of memory in use. ENERGY: 3173800 3978.6666 20471.0511 14396.4440 244.8128 -203050.6992 2564.7176 0.0000 0.0000 52042.8927 -109352.1144 299.0912 -161395.0072 -108990.1308 298.6375 -213.5578 -180.2412 762836.0107 -2.3570 -2.5363 PRESSURE: 3174000 76.8746 -67.1226 -45.3211 -67.1227 -78.2017 -33.1131 -45.3212 -33.114 -42.3471 GPRESSURE: 3174000 46.8282 -53.7334 20.2295 -84.501 -28.1767 -26.6381 -54.7606 27.9462 30.9868 PRESSAVG: 3174000 -17.3567 -49.1403 0.905641 -49.1403 -6.94967 -30.7931 0.905703 -30.7931 3.45713 GPRESSAVG: 3174000 -19.232 -47.7501 0.373546 -49.8228 -4.27826 -31.4754 1.07027 -31.6731 3.45527 TIMING: 3174000 CPU: 9917.62, 0.00313869/step Wall: 9917.62, 0.00313869/step, 1.59201 hours remaining, 235.984375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3174000 3966.9422 20404.5829 14460.5023 269.4112 -203703.3175 2945.2771 0.0000 0.0000 52248.6462 -109407.9555 300.2737 -161656.6018 -109043.6089 299.1251 -14.5580 16.5461 762602.4801 -6.9497 -6.6850 PRESSURE: 3174200 -283.579 -25.822 -233.45 -25.8222 82.236 21.5843 -233.45 21.5848 190.745 GPRESSURE: 3174200 -203.564 -76.5801 -171.814 5.03491 87.5823 -22.2255 -320.389 34.0133 210.186 PRESSAVG: 3174200 -34.6001 -26.6601 22.1758 -26.6601 -17.0645 1.96664 22.1758 1.96672 -2.93055 GPRESSAVG: 3174200 -33.3349 -28.4234 22.9916 -25.6218 -18.1806 0.563265 23.3009 2.30975 -2.78921 TIMING: 3174200 CPU: 9918.25, 0.00313341/step Wall: 9918.25, 0.00313341/step, 1.58916 hours remaining, 235.984375 MB of memory in use. ENERGY: 3174200 4029.5228 20414.2889 14446.7760 247.2688 -202985.8873 2451.3955 0.0000 0.0000 52065.9618 -109330.6736 299.2238 -161396.6353 -108967.2946 299.0913 -3.5325 31.4014 762580.9460 -18.1984 -18.1016 PRESSURE: 3174400 296.086 -82.9165 -26.0368 -82.9159 -166.025 265.869 -26.0378 265.869 -89.6887 GPRESSURE: 3174400 287.115 -131.237 38.1111 17.5743 -47.6415 239.014 -15.1535 166.279 -113.591 PRESSAVG: 3174400 59.4657 -20.1051 -6.41703 -20.1052 -27.4176 -3.60832 -6.41704 -3.60824 2.70418 GPRESSAVG: 3174400 58.1127 -19.5347 -6.64182 -20.8974 -26.8156 -1.99134 -5.9943 -4.41954 3.60903 TIMING: 3174400 CPU: 9918.88, 0.00313009/step Wall: 9918.88, 0.00313009/step, 1.5873 hours remaining, 235.984375 MB of memory in use. ENERGY: 3174400 4039.5382 20563.7059 14535.4065 253.4199 -203529.1098 2923.9832 0.0000 0.0000 52032.6894 -109180.3665 299.0326 -161213.0560 -108824.5393 299.3503 13.4573 41.9607 761850.7979 11.5841 11.6354 PRESSURE: 3174600 254.556 48.8928 187.694 48.892 -16.87 -158.931 187.693 -158.931 249.07 GPRESSURE: 3174600 273.729 83.0154 279.748 -28.3773 28.8029 -176.551 145.494 -155.673 244.031 PRESSAVG: 3174600 45.0667 1.58011 -29.366 1.58003 -46.0737 -66.7367 -29.3659 -66.7368 -2.43713 GPRESSAVG: 3174600 45.8811 -0.50133 -28.95 2.29009 -45.4209 -67.3589 -29.6692 -66.9882 -4.19686 TIMING: 3174600 CPU: 9919.5, 0.0031364/step Wall: 9919.5, 0.0031364/step, 1.59033 hours remaining, 235.984375 MB of memory in use. ENERGY: 3174600 3966.7703 20517.0878 14434.9315 247.9961 -202956.6874 2655.6303 0.0000 0.0000 51916.1049 -109218.1666 298.3626 -161134.2715 -108867.0018 299.7352 162.2521 182.1874 764163.3618 -1.1481 -1.2456 PRESSURE: 3174800 57.575 153.15 138.128 153.149 66.3408 41.7037 138.129 41.7043 -99.8715 GPRESSURE: 3174800 76.2842 171.104 89.1572 111.424 98.8166 85.4539 92.634 -49.7667 -63.3664 PRESSAVG: 3174800 17.0401 21.3189 -20.2722 21.3189 29.5975 0.268728 -20.2722 0.268883 10.8609 GPRESSAVG: 3174800 16.8805 23.7269 -23.0337 21.6756 29.4726 -0.0759834 -19.8431 0.176782 10.5856 TIMING: 3174800 CPU: 9920.13, 0.00313793/step Wall: 9920.13, 0.00313793/step, 1.59093 hours remaining, 235.984375 MB of memory in use. ENERGY: 3174800 3977.9751 20591.4715 14368.8886 248.4800 -203514.7433 2732.6354 0.0000 0.0000 52167.4287 -109427.8639 299.8069 -161595.2927 -109061.9636 299.2754 8.0148 37.2448 761551.7879 19.1662 18.9796 PRESSURE: 3175000 -27.3153 -78.901 56.3 -78.9011 -139.142 112.039 56.2996 112.04 -64.1929 GPRESSURE: 3175000 26.1584 -42.412 67.9879 -175.715 -141.233 167.336 138.798 41.9206 -36.938 PRESSAVG: 3175000 -5.88391 0.458819 48.3571 0.458771 42.0522 -6.04953 48.3572 -6.04954 6.1878 GPRESSAVG: 3175000 -4.84272 1.35654 49.8264 -0.492794 39.8469 -4.72192 48.5634 -7.0841 7.50729 TIMING: 3175000 CPU: 9920.76, 0.00313492/step Wall: 9920.76, 0.00313492/step, 1.58923 hours remaining, 235.984375 MB of memory in use. ENERGY: 3175000 4010.2188 20497.4566 14414.8623 234.3943 -203186.2408 2548.3867 0.0000 0.0000 52011.7191 -109469.2029 298.9121 -161480.9220 -109098.7195 298.7187 -76.8832 -50.6708 763170.3786 14.1187 14.1705 PRESSURE: 3175200 -207.516 -135.041 97.4827 -135.041 -229.423 -105.238 97.4827 -105.239 -278.598 GPRESSURE: 3175200 -204.91 -12.1932 67.0155 -54.1544 -161.147 -72.3927 167.574 -213.575 -246.455 PRESSAVG: 3175200 -30.2462 -8.27274 49.2379 -8.27271 30.2141 -12.9041 49.2379 -12.9041 -31.6893 GPRESSAVG: 3175200 -30.3395 -8.39335 49.9116 -7.51953 31.0432 -13.2152 48.1502 -12.6176 -32.6081 TIMING: 3175200 CPU: 9921.39, 0.00314875/step Wall: 9921.39, 0.00314875/step, 1.59607 hours remaining, 235.984375 MB of memory in use. ENERGY: 3175200 4019.1704 20376.2912 14379.4112 242.5476 -203262.4294 2675.9050 0.0000 0.0000 51921.1179 -109647.9861 298.3914 -161569.1040 -109282.3890 298.5464 -238.5123 -204.1708 761990.9925 -10.5738 -10.6348 PRESSURE: 3175400 -625.569 179.891 31.8195 179.892 -240.28 -199.235 31.8202 -199.237 -293.442 GPRESSURE: 3175400 -588.042 180.475 65.1387 214.148 -186.825 -129.896 121.34 -229.359 -297.2 PRESSAVG: 3175400 -3.38027 41.5001 11.9321 41.5001 -18.7735 -13.546 11.9321 -13.546 22.2586 GPRESSAVG: 3175400 -5.58439 41.5332 11.0557 43.0163 -16.9899 -13.0928 11.8209 -14.3083 23.2075 TIMING: 3175400 CPU: 9922.02, 0.00313001/step Wall: 9922.02, 0.00313001/step, 1.58639 hours remaining, 235.984375 MB of memory in use. ENERGY: 3175400 4044.6549 20531.7919 14409.9283 248.7262 -202975.4938 2397.0313 0.0000 0.0000 51814.1813 -109529.1800 297.7768 -161343.3613 -109168.5215 297.8705 -386.4304 -357.3559 762308.1792 0.0349 0.2111 PRESSURE: 3175600 -264.645 -18.8692 -116.034 -18.8691 -288.344 77.7217 -116.034 77.721 -61.7825 GPRESSURE: 3175600 -247.005 -51.0692 -12.0345 -109.699 -271.691 67.4346 -80.906 -23.4808 0.24763 PRESSAVG: 3175600 -11.3187 19.3383 13.3028 19.3383 -17.5888 -4.96885 13.3027 -4.96878 11.2624 GPRESSAVG: 3175600 -10.7046 18.3873 13.2576 17.2808 -18.0494 -6.55027 12.6496 -3.47197 11.2734 TIMING: 3175600 CPU: 9922.64, 0.00313682/step Wall: 9922.64, 0.00313682/step, 1.58967 hours remaining, 235.984375 MB of memory in use. ENERGY: 3175600 3989.1760 20453.0316 14438.5032 255.1548 -203428.9859 2466.4520 0.0000 0.0000 52282.5499 -109544.1184 300.4685 -161826.6683 -109174.7088 298.3760 -204.9238 -172.8162 761130.6856 -5.8817 -5.8269 PRESSURE: 3175800 45.2373 262.024 42.3705 262.023 98.5955 101.643 42.3708 101.644 4.06598 GPRESSURE: 3175800 50.0175 197.806 93.5274 345.269 108.415 111.367 -47.9662 233.067 68.1149 PRESSAVG: 3175800 -0.705277 -27.5835 17.0755 -27.5835 9.79227 1.6241 17.0755 1.62407 -6.34699 GPRESSAVG: 3175800 0.420615 -26.2788 16.6572 -28.2462 8.69996 3.42565 18.411 -0.0236028 -6.4287 TIMING: 3175800 CPU: 9923.27, 0.00314587/step Wall: 9923.27, 0.00314587/step, 1.59408 hours remaining, 235.984375 MB of memory in use. ENERGY: 3175800 3982.7039 20650.8216 14464.0013 254.7086 -203614.0424 2966.8661 0.0000 0.0000 51711.7617 -109583.1792 297.1882 -161294.9409 -109234.5214 298.6446 49.2996 75.5157 763669.3001 0.9133 0.8973 PRESSURE: 3176000 -250.3 67.1747 11.8005 67.1755 8.99282 94.1041 11.8007 94.1038 -248.785 GPRESSURE: 3176000 -205.838 153.706 44.4226 60.4872 33.3875 70.9973 7.7044 45.6104 -232.8 PRESSAVG: 3176000 6.36686 39.7624 33.1309 39.7624 -16.9252 -4.48218 33.131 -4.48221 6.56628 GPRESSAVG: 3176000 5.80943 37.5575 32.0446 40.3705 -15.9781 -6.94826 32.2212 -1.92061 6.08183 TIMING: 3176000 CPU: 9923.9, 0.00311976/step Wall: 9923.9, 0.00311976/step, 1.58068 hours remaining, 235.984375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3176000 3987.1271 20423.3506 14518.3244 239.6389 -203350.7222 2627.3564 0.0000 0.0000 52186.4089 -109368.5158 299.9160 -161554.9247 -109000.9336 298.7915 -163.3638 -135.0836 764743.6809 -1.3307 -1.3623 PRESSURE: 3176200 93.1964 -43.3706 -136.461 -43.3717 -188.184 69.8009 -136.46 69.802 -253.651 GPRESSURE: 3176200 189.204 16.9905 -90.1809 -104.186 -181.141 124.739 -84.1967 147.862 -288.773 PRESSAVG: 3176200 70.138 30.4675 12.7927 30.4675 -30.5052 -24.0699 12.7927 -24.07 -8.56114 GPRESSAVG: 3176200 70.9015 31.8363 13.55 30.4177 -31.5188 -22.7477 14.104 -24.445 -8.26681 TIMING: 3176200 CPU: 9924.52, 0.00311172/step Wall: 9924.52, 0.00311172/step, 1.57643 hours remaining, 235.984375 MB of memory in use. ENERGY: 3176200 4075.4242 20477.7726 14439.8895 255.0226 -203488.2599 2909.2657 0.0000 0.0000 52000.4560 -109330.4293 298.8473 -161330.8853 -108972.0457 299.2228 -116.2128 -93.5701 762271.1534 10.3572 10.3720 LDB: ============= START OF LOAD BALANCING ============== 9937 LDB: ============== END OF LOAD BALANCING =============== 9937 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9937 LDB: ============= START OF LOAD BALANCING ============== 9937.31 LDB: Largest compute 7007 load 0.031025 is 15.9% of average load 0.195208 LDB: Average compute 0.004386 is 2.2% of average load 0.195208 LDB: TIME 9937.31 LOAD: AVG 0.195208 MAX 0.217044 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.891 MB LDB: TIME 9937.32 LOAD: AVG 0.195208 MAX 0.217044 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.891 MB LDB: TIME 9937.32 LOAD: AVG 0.195208 MAX 0.217044 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.891 MB LDB: ============== END OF LOAD BALANCING =============== 9937.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9937.32 PRESSURE: 3176400 101.474 33.8286 -89.4496 33.8281 104.052 209.661 -89.4501 209.662 159.387 GPRESSURE: 3176400 116.864 115.933 -69.4827 60.7644 274.399 126.24 61.2503 158.049 47.8305 PRESSAVG: 3176400 25.9058 -4.71315 -45.0778 -4.71317 -22.9089 42.9144 -45.0778 42.9145 2.63046 GPRESSAVG: 3176400 24.8475 -5.26002 -42.0153 -4.83241 -23.2731 42.3655 -45.6473 42.096 3.67388 TIMING: 3176400 CPU: 9925.16, 0.00319217/step Wall: 9925.16, 0.00319217/step, 1.61701 hours remaining, 235.593750 MB of memory in use. ENERGY: 3176400 4008.1882 20497.4389 14451.3869 246.9191 -202976.7660 2551.2282 0.0000 0.0000 51941.9560 -109279.6488 298.5111 -161221.6048 -108917.2092 298.8868 121.6375 146.3645 761441.2269 1.8758 1.7494 PRESSURE: 3176600 -48.2405 131.461 84.9575 131.462 -103.109 -243.049 84.9577 -243.049 79.9845 GPRESSURE: 3176600 107.171 68.4268 158.163 97.1245 -134.598 -215.199 111.496 26.8376 44.5016 PRESSAVG: 3176600 -3.78616 39.1881 -29.7354 39.1881 -0.414437 23.4502 -29.7355 23.4502 -14.2857 GPRESSAVG: 3176600 -3.4136 39.8114 -32.042 38.648 -0.00018033 25.3446 -29.1445 23.9103 -15.1797 TIMING: 3176600 CPU: 9925.78, 0.00312739/step Wall: 9925.78, 0.00312739/step, 1.58402 hours remaining, 235.660156 MB of memory in use. ENERGY: 3176600 3920.8814 20443.5396 14409.7951 254.2511 -203381.9852 2839.5723 0.0000 0.0000 51980.3918 -109533.5540 298.7320 -161513.9458 -109178.3345 298.5214 -23.7883 5.6916 761952.0664 -6.1621 -6.1978 PRESSURE: 3176800 -121.182 -7.39015 -36.5321 -7.39078 -152.446 -208.426 -36.5316 -208.426 -153.396 GPRESSURE: 3176800 -2.23203 29.5399 -8.71723 25.1671 -190.382 -242.248 -84.4035 -124.137 -155.281 PRESSAVG: 3176800 57.7363 53.9678 16.7453 53.9678 -61.1157 -2.36026 16.7453 -2.36023 -2.39578 GPRESSAVG: 3176800 57.3786 52.9416 15.8827 54.4034 -61.5929 -3.31439 16.477 -2.33772 -1.58976 TIMING: 3176800 CPU: 9926.41, 0.00313836/step Wall: 9926.41, 0.00313836/step, 1.5894 hours remaining, 235.660156 MB of memory in use. ENERGY: 3176800 4037.5612 20324.8112 14497.3577 252.8016 -203431.7040 2817.0303 0.0000 0.0000 51853.9559 -109648.1862 298.0054 -161502.1420 -109286.5384 298.2388 -142.3415 -115.9648 762127.4572 -1.9251 -1.9347 PRESSURE: 3177000 348.946 -71.7473 238.89 -71.7484 -74.2159 143.281 238.89 143.28 197.826 GPRESSURE: 3177000 261.437 -98.1076 191.799 -79.0551 79.3673 123.204 235.715 82.0909 218.461 PRESSAVG: 3177000 -23.5724 56.2518 -3.67572 56.2518 6.05502 -22.0128 -3.67576 -22.0129 10.5238 GPRESSAVG: 3177000 -23.4302 55.7122 -1.38864 57.5039 5.83704 -21.0569 -5.30598 -23.2478 10.0701 TIMING: 3177000 CPU: 9927.04, 0.00315295/step Wall: 9927.04, 0.00315295/step, 1.59662 hours remaining, 235.660156 MB of memory in use. ENERGY: 3177000 3977.9907 20329.3522 14483.3801 246.1136 -203465.0272 2782.6353 0.0000 0.0000 52101.1267 -109544.4287 299.4259 -161645.5554 -109179.9725 298.4571 157.5190 186.4216 761085.0387 -2.3312 -2.5077 PRESSURE: 3177200 -320.862 -21.0108 125.21 -21.0104 -266.487 43.6795 125.21 43.6793 -291.083 GPRESSURE: 3177200 -219.218 68.8855 146.358 -25.0913 -245.914 36.8728 185.828 21.5646 -312.233 PRESSAVG: 3177200 -5.5495 8.69745 38.6658 8.69745 -27.9656 -34.5289 38.6659 -34.529 -13.7278 GPRESSAVG: 3177200 -4.6002 11.3734 37.8896 5.50322 -27.3345 -35.2747 40.2129 -34.0511 -14.8282 TIMING: 3177200 CPU: 9927.66, 0.00312274/step Wall: 9927.66, 0.00312274/step, 1.58115 hours remaining, 235.660156 MB of memory in use. ENERGY: 3177200 4039.3513 20481.2093 14431.7879 246.6929 -203084.2886 2530.5687 0.0000 0.0000 51840.7156 -109513.9628 297.9293 -161354.6784 -109162.5876 298.5223 -292.8102 -259.1214 762836.8579 -15.7476 -15.5876 PRESSURE: 3177400 153.7 -76.3542 -22.1895 -76.3541 -53.5869 -55.6829 -22.1885 -55.6842 170.736 GPRESSURE: 3177400 85.978 -21.9853 14.853 -41.4732 88.7123 -52.2581 -204.494 -30.5476 185.425 PRESSAVG: 3177400 -2.41324 1.03059 13.9819 1.03061 -1.74302 5.9051 13.982 5.90509 -12.4923 GPRESSAVG: 3177400 -2.22541 -0.189401 12.0556 3.19879 -2.47659 5.83479 15.4472 6.56303 -11.7115 TIMING: 3177400 CPU: 9928.29, 0.00313055/step Wall: 9928.29, 0.00313055/step, 1.58493 hours remaining, 235.660156 MB of memory in use. ENERGY: 3177400 3925.2904 20495.7220 14506.5067 259.6255 -203505.1077 2966.5767 0.0000 0.0000 52052.8650 -109298.5214 299.1485 -161351.3864 -108931.1202 298.6694 90.2833 120.0385 762920.4753 -5.5495 -5.4712 PRESSURE: 3177600 -57.8566 146.985 62.4524 146.985 354.306 -64.5628 62.4527 -64.563 104.181 GPRESSURE: 3177600 -16.0728 126.896 69.9959 141.095 348.009 -9.33074 134.125 -32.1685 154.041 PRESSAVG: 3177600 9.58145 33.3741 -35.1092 33.3741 42.5437 26.2956 -35.1092 26.2956 6.695 GPRESSAVG: 3177600 9.25716 34.1144 -32.1984 34.152 43.8281 27.735 -38.0435 25.2215 6.5451 TIMING: 3177600 CPU: 9928.92, 0.00313799/step Wall: 9928.92, 0.00313799/step, 1.58852 hours remaining, 235.660156 MB of memory in use. ENERGY: 3177600 3979.7405 20561.5171 14474.5313 233.5972 -203662.1853 2925.5095 0.0000 0.0000 52141.1089 -109346.1809 299.6557 -161487.2898 -108980.8352 299.6928 133.5434 161.9925 760295.4974 19.6067 19.8768 PRESSURE: 3177800 349.187 -14.636 -280.519 -14.6349 328.871 -176.306 -280.519 -176.307 -275.653 GPRESSURE: 3177800 332 37.7313 -149.119 -1.34604 424.395 -201.255 -219.656 -179.755 -258.775 PRESSAVG: 3177800 -25.1522 35.0058 -41.5036 35.0058 94.5024 36.0391 -41.5036 36.0391 -0.640004 GPRESSAVG: 3177800 -25.5399 35.9664 -42.1407 31.7629 93.9002 34.5189 -39.7392 37.2681 0.476487 TIMING: 3177800 CPU: 9929.55, 0.00313884/step Wall: 9929.55, 0.00313884/step, 1.58877 hours remaining, 235.660156 MB of memory in use. ENERGY: 3177800 3990.3653 20627.2377 14433.2302 260.0867 -203480.0382 2760.1222 0.0000 0.0000 52080.0450 -109328.9512 299.3047 -161408.9962 -108985.3534 299.5004 134.1348 165.8732 761396.5583 22.9034 22.9456 PRESSURE: 3178000 -185.041 89.6985 217.45 89.6995 -137.971 114.501 217.451 114.501 -5.12308 GPRESSURE: 3178000 -207.316 160.948 146.516 30.9891 -69.8249 31.1508 268.37 176.67 44.9431 PRESSAVG: 3178000 -12.4166 51.3155 -25.1897 51.3155 -3.60033 19.5848 -25.1897 19.5847 -7.25216 GPRESSAVG: 3178000 -12.6234 51.9183 -25.9782 51.162 -1.73429 18.5483 -26.7612 18.1287 -8.68659 TIMING: 3178000 CPU: 9930.18, 0.00317473/step Wall: 9930.18, 0.00317473/step, 1.60676 hours remaining, 235.660156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3178000 4034.0894 20558.5917 14422.9944 232.2115 -203038.1905 2443.4401 0.0000 0.0000 51928.6232 -109418.2401 298.4345 -161346.8633 -109058.3260 299.2734 -109.3783 -77.3994 761795.0319 -7.7564 -7.6814 PRESSURE: 3178200 -37.8441 99.5556 -176.944 99.5553 -161.464 -151.935 -176.942 -151.934 7.75308 GPRESSURE: 3178200 17.5384 116.283 -132.289 91.8402 -117.363 -161.919 -78.7796 -42.7311 -34.0101 PRESSAVG: 3178200 -29.7327 8.00351 -36.3114 8.00354 49.5902 -11.2492 -36.3114 -11.2492 8.81172 GPRESSAVG: 3178200 -27.9983 6.99006 -36.4127 8.21225 47.0418 -11.1854 -34.9547 -6.97079 8.74811 TIMING: 3178200 CPU: 9930.81, 0.00314712/step Wall: 9930.81, 0.00314712/step, 1.59262 hours remaining, 235.660156 MB of memory in use. ENERGY: 3178200 3923.9058 20641.1626 14373.9766 259.6866 -203339.0139 2641.8891 0.0000 0.0000 52057.5638 -109440.8294 299.1755 -161498.3932 -109077.3088 299.2321 -63.8515 -44.6117 761505.9227 9.5564 9.2639 PRESSURE: 3178400 -79.6401 -102.594 -42.1503 -102.595 -143.673 125.562 -42.15 125.562 -291.633 GPRESSURE: 3178400 -101.929 -98.8694 -0.689257 -74.6681 -92.1185 103.524 -60.5003 72.4717 -254.237 PRESSAVG: 3178400 29.7033 45.2294 -49.1232 45.2293 -39.3043 -9.48332 -49.1231 -9.48325 -0.753295 GPRESSAVG: 3178400 28.1419 43.9482 -48.3782 48.5186 -38.8717 -8.63657 -49.2936 -12.9948 0.17193 TIMING: 3178400 CPU: 9931.44, 0.00313755/step Wall: 9931.44, 0.00313755/step, 1.5876 hours remaining, 235.660156 MB of memory in use. ENERGY: 3178400 3994.4636 20595.4117 14466.4323 246.2378 -203416.1626 2592.2877 0.0000 0.0000 52167.6514 -109353.6779 299.8082 -161521.3294 -108988.1213 298.9410 -171.6485 -149.4284 761499.6691 -3.4514 -3.5193 PRESSURE: 3178600 -98.0218 193.651 22.7267 193.652 -34.3941 -174.077 22.7269 -174.077 -27.2869 GPRESSURE: 3178600 -25.4631 91.9353 68.7695 81.3968 -47.0074 -153.191 -2.85156 16.0638 -6.12263 PRESSAVG: 3178600 24.0577 20.0344 -7.20749 20.0343 -40.408 -11.8471 -7.20747 -11.847 29.0946 GPRESSAVG: 3178600 25.1051 20.9744 -6.54775 18.8887 -40.4288 -11.9113 -6.94181 -11.4537 28.1784 TIMING: 3178600 CPU: 9932.06, 0.00312263/step Wall: 9932.06, 0.00312263/step, 1.57988 hours remaining, 235.660156 MB of memory in use. ENERGY: 3178600 4033.6538 20494.2990 14458.6429 249.1731 -203371.4111 2670.2502 0.0000 0.0000 52145.5369 -109319.8552 299.6811 -161465.3920 -108955.6352 299.3723 -53.2343 -26.1977 763206.8750 4.2481 4.2849 PRESSURE: 3178800 -168.714 15.1139 -91.1256 15.1134 -244.665 -34.1596 -91.1256 -34.1586 99.7545 GPRESSURE: 3178800 -125.036 5.17938 -91.7631 62.2732 -175.134 -110.797 -151.74 -87.1329 77.4928 PRESSAVG: 3178800 33.7132 -32.3986 13.6535 -32.3986 19.2194 8.79167 13.6535 8.7917 2.55451 GPRESSAVG: 3178800 33.9163 -32.5038 15.8689 -32.6319 19.6047 9.6818 11.7281 6.78063 2.92905 TIMING: 3178800 CPU: 9932.68, 0.00310674/step Wall: 9932.68, 0.00310674/step, 1.57167 hours remaining, 235.660156 MB of memory in use. ENERGY: 3178800 4074.6904 20489.1136 14413.4551 261.1241 -203606.0043 3065.8401 0.0000 0.0000 51895.9584 -109405.8226 298.2468 -161301.7810 -109051.5570 298.9420 -104.5417 -74.2258 763113.0558 18.4957 18.8167 PRESSURE: 3179000 -155.08 -36.8493 -85.5105 -36.8483 366.596 77.4561 -85.5099 77.4566 172.836 GPRESSURE: 3179000 -82.4631 45.6962 -50.9276 -161.49 410.486 5.09773 4.99664 67.752 154.403 PRESSAVG: 3179000 -28.9486 9.09501 38.3942 9.09501 70.6273 41.1778 38.3942 41.1779 4.56108 GPRESSAVG: 3179000 -28.0417 8.08684 36.2277 9.26351 68.8716 38.8216 38.3754 41.4315 5.26828 TIMING: 3179000 CPU: 9933.31, 0.00311517/step Wall: 9933.31, 0.00311517/step, 1.57576 hours remaining, 235.660156 MB of memory in use. ENERGY: 3179000 3988.4540 20475.0562 14473.6190 250.6485 -203284.5663 2648.2645 0.0000 0.0000 52167.9445 -109280.5796 299.8099 -161448.5241 -108910.8583 299.0707 128.1172 160.8089 761524.9264 15.4133 15.3660 PRESSURE: 3179200 -40.3455 -17.7984 200.366 -17.7978 -334.662 -108.636 200.367 -108.635 -275.279 GPRESSURE: 3179200 -28.7583 30.7565 180.598 -23.9898 -214.377 -39.3725 220.1 -38.3079 -323.023 PRESSAVG: 3179200 45.9774 -30.3139 50.3624 -30.3138 -3.08243 -12.6605 50.3624 -12.6605 -15.0265 GPRESSAVG: 3179200 44.4413 -30.9274 50.043 -29.5142 -0.77594 -10.9148 50.9855 -12.4124 -15.8477 TIMING: 3179200 CPU: 9933.93, 0.00311641/step Wall: 9933.93, 0.00311641/step, 1.57621 hours remaining, 235.660156 MB of memory in use. ENERGY: 3179200 4051.6443 20752.6531 14576.3637 233.0010 -203515.3317 2580.1874 0.0000 0.0000 52192.7459 -109128.7362 299.9524 -161321.4821 -108768.4327 299.4810 -216.7619 -188.7196 761517.4034 9.2895 9.2726 PRESSURE: 3179400 -38.3575 48.1427 2.7097 48.1421 -180.054 -1.87464 2.71025 -1.87401 -471.878 GPRESSURE: 3179400 69.4702 31.8679 -54.7414 20.6871 -216.885 -62.6913 -41.9791 -29.5704 -450.587 PRESSAVG: 3179400 -9.2743 24.2464 5.99594 24.2463 -10.0423 -27.9324 5.99594 -27.9325 -11.2837 GPRESSAVG: 3179400 -9.69761 25.6587 6.56314 22.5996 -10.0462 -29.3773 6.18323 -27.091 -10.9327 TIMING: 3179400 CPU: 9934.56, 0.0031595/step Wall: 9934.56, 0.0031595/step, 1.59783 hours remaining, 235.660156 MB of memory in use. ENERGY: 3179400 4016.0269 20602.7385 14434.3016 251.7776 -203367.9188 2936.8148 0.0000 0.0000 51939.7995 -109186.4599 298.4987 -161126.2594 -108830.6909 299.0117 -230.0966 -199.3337 764592.6654 -10.2001 -10.2255 PRESSURE: 3179600 73.1773 -49.5561 -162.141 -49.557 50.9235 -205.031 -162.141 -205.032 289.629 GPRESSURE: 3179600 38.8127 42.2414 -53.3258 9.17523 55.2868 -142.944 -213.654 -127.114 400.617 PRESSAVG: 3179600 50.1312 38.8502 -16.399 38.8502 -47.0127 39.6742 -16.399 39.6742 3.31671 GPRESSAVG: 3179600 51.5469 37.6384 -16.3698 40.5684 -48.3317 40.6589 -15.2914 40.525 3.21318 TIMING: 3179600 CPU: 9935.19, 0.00314827/step Wall: 9935.19, 0.00314827/step, 1.59197 hours remaining, 235.660156 MB of memory in use. ENERGY: 3179600 3951.5209 20457.9769 14392.2052 228.6847 -203107.7716 2673.2650 0.0000 0.0000 52044.2097 -109359.9092 299.0988 -161404.1188 -108985.9976 299.2410 137.9100 164.9054 763268.1670 2.1451 2.1428 PRESSURE: 3179800 38.8727 -46.579 -43.2693 -46.5794 174.512 99.2556 -43.2685 99.2556 203.395 GPRESSURE: 3179800 70.428 -152.712 67.1411 -63.4842 182.168 107.508 -209.298 30.3463 234.396 PRESSAVG: 3179800 57.2627 21.2712 -10.1318 21.2711 -21.1412 1.61501 -10.1318 1.61511 14.4026 GPRESSAVG: 3179800 56.5764 20.8131 -12.2854 20.3051 -20.0584 -0.164757 -11.4532 1.10773 13.7753 TIMING: 3179800 CPU: 9935.82, 0.00312854/step Wall: 9935.82, 0.00312854/step, 1.58183 hours remaining, 235.660156 MB of memory in use. ENERGY: 3179800 3996.2311 20429.1056 14427.7482 255.2113 -203787.2533 3133.5616 0.0000 0.0000 52061.0713 -109484.3242 299.1957 -161545.3955 -109122.8649 298.7895 138.9266 162.3307 762271.4827 16.8414 16.7644 PRESSURE: 3180000 437.953 14.8121 -3.09882 14.8124 -72.6159 92.226 -3.09955 92.226 -170.157 GPRESSURE: 3180000 475.863 16.5799 29.8267 36.36 -63.9413 135.765 119.437 32.3927 -134.814 PRESSAVG: 3180000 14.594 6.18711 -22.7323 6.18716 -21.1929 -21.6118 -22.7323 -21.6118 14.1583 GPRESSAVG: 3180000 15.2608 7.60469 -20.6046 4.41465 -22.2769 -20.1068 -21.6515 -21.6392 13.9325 TIMING: 3180000 CPU: 9936.44, 0.00313052/step Wall: 9936.44, 0.00313052/step, 1.58265 hours remaining, 235.660156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3180000 3928.6179 20764.8351 14483.5036 258.3624 -203236.0956 2610.3870 0.0000 0.0000 51783.3875 -109407.0021 297.5998 -161190.3896 -109043.3030 298.7033 65.0598 92.3693 762810.1495 2.5198 2.3054 PRESSURE: 3180200 410.205 -189.248 27.2818 -189.248 133.91 -6.64122 27.2819 -6.64083 -137.385 GPRESSURE: 3180200 344.472 -129.201 20.1374 -171.154 194.733 -83.9119 32.3902 44.414 -69.209 PRESSAVG: 3180200 12.2854 7.74076 7.9171 7.7408 23.8328 -19.9679 7.91715 -19.9679 -10.999 GPRESSAVG: 3180200 11.6895 7.0112 6.58017 10.4868 23.4314 -20.3066 7.2925 -20.5097 -9.89125 TIMING: 3180200 CPU: 9937.06, 0.00309872/step Wall: 9937.06, 0.00309872/step, 1.5664 hours remaining, 235.660156 MB of memory in use. ENERGY: 3180200 3938.6235 20574.0323 14536.6971 249.5233 -203876.4522 3005.6570 0.0000 0.0000 51990.5491 -109581.3698 298.7904 -161571.9189 -109222.0832 298.7729 135.5765 156.6653 761884.4781 8.3731 8.4099 LDB: ============= START OF LOAD BALANCING ============== 9949.54 LDB: ============== END OF LOAD BALANCING =============== 9949.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9949.54 LDB: ============= START OF LOAD BALANCING ============== 9949.86 LDB: Largest compute 7007 load 0.031027 is 15.9% of average load 0.195298 LDB: Average compute 0.004367 is 2.2% of average load 0.195298 LDB: TIME 9949.86 LOAD: AVG 0.195298 MAX 0.214506 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.051 MB LDB: TIME 9949.86 LOAD: AVG 0.195298 MAX 0.214506 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.051 MB LDB: TIME 9949.86 LOAD: AVG 0.195298 MAX 0.214506 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.051 MB LDB: ============== END OF LOAD BALANCING =============== 9949.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9949.87 PRESSURE: 3180400 -259.179 187.568 73.4073 187.568 -301.612 -176.49 73.4074 -176.49 -0.0661743 GPRESSURE: 3180400 -226.716 225.374 110.267 41.1666 -244.638 -138.227 -76.0459 -191.032 -1.60718 PRESSAVG: 3180400 28.5606 -29.939 0.278833 -29.9391 -42.0494 -8.8396 0.278805 -8.83959 -30.4822 GPRESSAVG: 3180400 28.2462 -29.1226 1.19498 -31.0783 -41.2349 -9.8561 -0.348162 -8.08859 -30.8283 TIMING: 3180400 CPU: 9937.7, 0.00319888/step Wall: 9937.7, 0.00319888/step, 1.61686 hours remaining, 235.082031 MB of memory in use. ENERGY: 3180400 3922.8336 20434.4778 14471.0821 261.6612 -203605.1924 2699.7386 0.0000 0.0000 52177.5022 -109637.8969 299.8648 -161815.3991 -109279.5604 298.0978 -186.9521 -157.6538 763086.1718 -14.6570 -14.6057 PRESSURE: 3180600 159.496 26.0595 27.7674 26.0597 100.849 263.001 27.7677 263.001 -194.479 GPRESSURE: 3180600 161.073 40.7819 31.066 55.1935 160.091 323.532 79.78 273.105 -175.417 PRESSAVG: 3180600 2.62611 26.8642 35.3156 26.8642 19.0821 -36.4424 35.3156 -36.4425 9.69029 GPRESSAVG: 3180600 2.38175 26.0221 34.9456 27.3551 19.2645 -34.9362 34.0175 -35.4573 10.2652 TIMING: 3180600 CPU: 9938.33, 0.00312222/step Wall: 9938.33, 0.00312222/step, 1.57794 hours remaining, 235.281250 MB of memory in use. ENERGY: 3180600 3964.4488 20612.9559 14511.9612 221.1503 -203604.5338 2685.8491 0.0000 0.0000 52032.1249 -109576.0435 299.0293 -161608.1684 -109220.1269 298.3273 21.9552 48.5824 763493.2222 10.4662 10.6371 PRESSURE: 3180800 -101.735 65.7863 143.925 65.7853 -149.838 -36.4383 143.926 -36.4392 269.651 GPRESSURE: 3180800 -38.3775 1.52503 133.881 106.995 -92.0063 -30.0188 64.7885 -78.9703 226.218 PRESSAVG: 3180800 -19.146 -13.9072 -25.8203 -13.9072 19.7364 -38.3784 -25.8204 -38.3784 -10.7421 GPRESSAVG: 3180800 -18.3988 -12.8116 -26.9608 -15.4031 19.0407 -38.3842 -23.9561 -39.9239 -10.9919 TIMING: 3180800 CPU: 9938.95, 0.00312712/step Wall: 9938.95, 0.00312712/step, 1.58024 hours remaining, 235.281250 MB of memory in use. ENERGY: 3180800 3968.0287 20566.0038 14514.0025 231.9414 -203723.8206 2855.8178 0.0000 0.0000 52085.2343 -109502.7921 299.3346 -161588.0264 -109130.7509 298.9488 6.0260 31.9446 763233.5033 -3.3839 -3.4500 PRESSURE: 3181000 -481.754 -82.4155 -36.1731 -82.4149 -519.083 190.508 -36.1736 190.509 -363.537 GPRESSURE: 3181000 -411.675 -10.2882 -22.7131 -70.4882 -500.823 195.502 -57.1603 109.297 -378.251 PRESSAVG: 3181000 -54.8279 15.5203 27.7757 15.5203 36.1493 -10.1247 27.7758 -10.1247 10.9152 GPRESSAVG: 3181000 -55.8137 14.8271 29.3648 16.4307 36.7172 -9.94421 27.6071 -9.33459 10.8771 TIMING: 3181000 CPU: 9939.58, 0.00312151/step Wall: 9939.58, 0.00312151/step, 1.57723 hours remaining, 235.281250 MB of memory in use. ENERGY: 3181000 4008.1237 20563.2656 14510.9802 264.6952 -203018.3570 2348.1211 0.0000 0.0000 51762.1754 -109560.9958 297.4779 -161323.1711 -109194.7136 298.6838 -454.7913 -430.2498 762328.2308 -2.5878 -2.7398 PRESSURE: 3181200 -237.991 9.46693 -214.697 9.46771 39.3741 -237.886 -214.697 -237.887 147.287 GPRESSURE: 3181200 -155.337 15.8529 -152.318 22.8391 96.9481 -184.192 -209.553 -81.9924 95.6774 PRESSAVG: 3181200 -22.6155 -29.9802 15.7983 -29.9801 48.759 -38.1303 15.7984 -38.1304 -3.67853 GPRESSAVG: 3181200 -22.3762 -28.5197 13.2634 -29.9418 48.0289 -38.5895 15.9994 -39.1831 -3.24352 TIMING: 3181200 CPU: 9940.2, 0.00313603/step Wall: 9940.2, 0.00313603/step, 1.58439 hours remaining, 235.281250 MB of memory in use. ENERGY: 3181200 3971.9844 20482.1326 14474.5431 261.9524 -203177.6309 2483.0875 0.0000 0.0000 52026.9895 -109476.9414 298.9998 -161503.9310 -109112.7088 298.6264 -17.1099 12.4295 762296.3942 7.4883 7.4697 PRESSURE: 3181400 -209.234 -179.609 -131.217 -179.609 -182.322 33.6818 -131.217 33.6831 -537.545 GPRESSURE: 3181400 -299.458 -134.807 -261.638 -226.951 -101.903 6.69467 -109.85 -37.5715 -463.641 PRESSAVG: 3181400 0.197421 -22.4433 16.2579 -22.4433 -11.3753 17.0899 16.2579 17.09 -7.4745 GPRESSAVG: 3181400 -0.646459 -23.5573 18.7325 -22.5582 -11.4743 17.1961 16.5744 16.4994 -6.41088 TIMING: 3181400 CPU: 9940.83, 0.00311383/step Wall: 9940.83, 0.00311383/step, 1.57301 hours remaining, 235.281250 MB of memory in use. ENERGY: 3181400 4075.0021 20606.2345 14382.4420 275.4844 -203071.3538 2520.1348 0.0000 0.0000 51916.9367 -109295.1193 298.3673 -161212.0560 -108931.2810 298.7289 -309.7004 -288.3342 764807.7675 -6.2175 -6.1772 PRESSURE: 3181600 -239.082 18.5377 -46.9583 18.5371 37.9189 -40.0113 -46.9585 -40.011 93.4105 GPRESSURE: 3181600 -68.102 87.7256 30.6756 118.142 11.6117 -38.7604 -4.78716 -39.2351 30.2892 PRESSAVG: 3181600 -53.0263 -14.0658 22.6718 -14.0659 36.5816 -12.5721 22.6718 -12.572 15.0822 GPRESSAVG: 3181600 -51.0876 -12.4085 22.4043 -15.6633 36.1122 -10.5572 22.7106 -13.1852 13.6286 TIMING: 3181600 CPU: 9941.45, 0.00311306/step Wall: 9941.45, 0.00311306/step, 1.57244 hours remaining, 235.281250 MB of memory in use. ENERGY: 3181600 4045.2246 20487.2863 14456.6542 271.9506 -203266.3153 2577.8457 0.0000 0.0000 51847.3617 -109579.9923 297.9675 -161427.3540 -109221.9923 299.2227 -35.9176 -8.7337 763017.6637 -0.4541 -0.4489 PRESSURE: 3181800 -281.788 162.806 -64.1258 162.806 -224.942 -289.996 -64.1257 -289.996 -82.2963 GPRESSURE: 3181800 -169.478 154.647 -0.808911 115.232 -187.331 -217.181 2.51979 -196.698 -158.035 PRESSAVG: 3181800 -3.07329 4.81773 19.4171 4.81769 30.484 -15.3275 19.4171 -15.3275 7.29868 GPRESSAVG: 3181800 -3.76017 2.46254 17.0218 6.28779 32.1089 -15.6952 19.8991 -13.1857 6.77774 TIMING: 3181800 CPU: 9942.07, 0.00310252/step Wall: 9942.07, 0.00310252/step, 1.56694 hours remaining, 235.281250 MB of memory in use. ENERGY: 3181800 4018.6727 20637.1418 14416.5924 252.3566 -203359.9759 2540.9322 0.0000 0.0000 52128.7122 -109365.5681 299.5844 -161494.2803 -109005.0114 298.8351 -196.3422 -171.6146 761615.9751 11.5698 11.7088 PRESSURE: 3182000 97.4035 -35.2408 154.19 -35.2405 174.257 -10.9037 154.19 -10.9035 57.7465 GPRESSURE: 3182000 166.494 -34.7209 110.141 -16.0454 212.098 -12.0448 182.4 47.0599 10.1737 PRESSAVG: 3182000 -9.89129 -1.11194 61.321 -1.11191 19.1543 -21.085 61.321 -21.0851 0.677106 GPRESSAVG: 3182000 -10.5108 -2.52207 63.2522 -0.840505 18.2588 -24.5452 61.8443 -19.4785 1.33114 TIMING: 3182000 CPU: 9942.69, 0.00310438/step Wall: 9942.69, 0.00310438/step, 1.56771 hours remaining, 235.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3182000 4004.2201 20543.9241 14457.2122 248.4298 -203322.8979 2762.2158 0.0000 0.0000 52120.5877 -109186.3083 299.5377 -161306.8960 -108830.2102 299.1440 109.8023 129.5886 761774.8891 3.3134 3.0264 PRESSURE: 3182200 271.016 -110.22 197.378 -110.22 -462.041 102.43 197.378 102.429 105.97 GPRESSURE: 3182200 183.573 -7.16107 109.128 -15.0068 -302.647 160.262 101.472 -53.7877 130.227 PRESSAVG: 3182200 -5.264 8.61424 47.2987 8.61435 -43.9189 -23.0583 47.2987 -23.0583 -8.98702 GPRESSAVG: 3182200 -5.6261 10.471 47.3308 9.16709 -43.402 -21.661 43.5083 -24.7106 -8.49917 TIMING: 3182200 CPU: 9943.31, 0.00310393/step Wall: 9943.31, 0.00310393/step, 1.56731 hours remaining, 235.281250 MB of memory in use. ENERGY: 3182200 4033.6478 20417.7876 14477.0218 241.1131 -203115.0934 2637.2504 0.0000 0.0000 52014.6932 -109293.5794 298.9292 -161308.2726 -108930.4530 299.5656 -28.3517 3.7178 763983.7100 -19.3900 -19.1757 PRESSURE: 3182400 98.3739 182.892 -104.901 182.892 92.4243 -165.919 -104.901 -165.919 24.9341 GPRESSURE: 3182400 203.564 82.8115 -129.262 81.1211 67.7994 -170.443 5.40245 -106.665 42.1294 PRESSAVG: 3182400 11.5928 -45.4716 3.8264 -45.4715 2.31488 -20.6801 3.82629 -20.6802 2.4995 GPRESSAVG: 3182400 11.0581 -46.3788 3.05918 -45.4891 3.32659 -20.6525 7.50979 -20.4082 2.41146 TIMING: 3182400 CPU: 9943.93, 0.0031091/step Wall: 9943.93, 0.00310909/step, 1.56975 hours remaining, 235.281250 MB of memory in use. ENERGY: 3182400 3988.9896 20452.4516 14411.2880 256.5057 -203340.5447 2878.2309 0.0000 0.0000 52024.4281 -109328.6508 298.9851 -161353.0789 -108962.9453 299.3553 71.9108 104.4975 762353.2922 5.4691 5.5987 PRESSURE: 3182600 254.889 -249.28 -60.9151 -249.279 3.13948 -10.2518 -60.9153 -10.252 -163.559 GPRESSURE: 3182600 302.187 -220.818 -41.334 -234.76 -15.5333 30.9988 -95.0289 39.1573 -121.518 PRESSAVG: 3182600 -11.9124 -5.50724 27.2467 -5.50722 -4.35303 -58.1866 27.2467 -58.1867 -7.00626 GPRESSAVG: 3182600 -9.97335 -5.91082 28.2756 -3.71923 -5.02715 -58.3227 25.4549 -59.929 -8.08661 TIMING: 3182600 CPU: 9944.56, 0.00313162/step Wall: 9944.56, 0.00313162/step, 1.58095 hours remaining, 235.281250 MB of memory in use. ENERGY: 3182600 3905.9468 20509.5178 14466.1659 267.3638 -203201.3167 2604.9020 0.0000 0.0000 52109.3179 -109338.1026 299.4730 -161447.4204 -108969.1480 298.7026 31.4898 55.0453 764436.9380 -7.7572 -7.6957 PRESSURE: 3182800 -183.493 -111.124 66.1261 -111.123 -19.8599 134.104 66.1264 134.104 -479.748 GPRESSURE: 3182800 -116.833 -62.5218 -18.6518 -47.424 -25.1423 166.796 -76.5736 93.2001 -462.66 PRESSAVG: 3182800 -39.4257 -28.6428 11.6252 -28.6428 29.1907 -15.2618 11.6252 -15.2618 4.87505 GPRESSAVG: 3182800 -40.0375 -27.6143 10.0898 -29.9836 28.8665 -15.2819 12.2565 -13.2214 5.90701 TIMING: 3182800 CPU: 9945.19, 0.00314575/step Wall: 9945.19, 0.00314575/step, 1.58791 hours remaining, 235.281250 MB of memory in use. ENERGY: 3182800 4048.2607 20536.1963 14467.8423 249.5601 -202831.7329 2526.0841 0.0000 0.0000 51779.8754 -109223.9139 297.5797 -161003.7894 -108859.1072 299.2368 -227.7003 -201.5451 766435.2916 -1.7866 -1.7547 PRESSURE: 3183000 -215.952 237.797 -58.3868 237.796 432.451 16.9643 -58.3868 16.9642 -167.207 GPRESSURE: 3183000 -76.1134 206.681 -64.7525 133.578 366.9 56.9923 2.06917 -14.9851 -163.34 PRESSAVG: 3183000 -26.159 -44.1716 -10.8615 -44.1716 19.7407 10.5071 -10.8614 10.5071 31.1442 GPRESSAVG: 3183000 -26.1832 -44.628 -9.28764 -44.6813 19.5257 10.4173 -10.2421 8.8249 31.3573 TIMING: 3183000 CPU: 9945.82, 0.00316235/step Wall: 9945.82, 0.00316235/step, 1.59611 hours remaining, 235.281250 MB of memory in use. ENERGY: 3183000 4025.7058 20591.0811 14499.6341 239.1006 -203319.4882 2656.9332 0.0000 0.0000 52020.6133 -109286.4201 298.9632 -161307.0334 -108927.0589 298.7592 16.4307 42.4821 762538.6857 8.2420 8.2333 PRESSURE: 3183200 -222.02 -20.8621 -317.39 -20.8628 -243.782 -25.8437 -317.391 -25.8447 -472.063 GPRESSURE: 3183200 -255.032 -5.68221 -251.113 85.0018 -214.154 -65.3407 -201.238 -38.4724 -382.31 PRESSAVG: 3183200 22.0451 -34.1509 -20.5091 -34.151 -65.1904 -15.4462 -20.5091 -15.4462 -1.87849 GPRESSAVG: 3183200 22.1618 -35.1498 -21.8615 -33.3067 -64.161 -13.6698 -20.1714 -14.7741 -3.0362 TIMING: 3183200 CPU: 9946.45, 0.00312581/step Wall: 9946.45, 0.00312581/step, 1.57749 hours remaining, 235.281250 MB of memory in use. ENERGY: 3183200 4003.9769 20601.7326 14418.3888 268.3227 -203090.9829 2452.6887 0.0000 0.0000 52106.9586 -109238.9145 299.4594 -161345.8731 -108876.8684 299.0866 -312.6215 -283.8320 761199.7794 -15.0079 -15.0118 PRESSURE: 3183400 112.215 -228.39 101.061 -228.39 -61.7482 -112.419 101.062 -112.418 250.873 GPRESSURE: 3183400 164.359 -202.688 71.304 -109.824 3.92656 -180.431 -46.3271 -67.0906 226.434 PRESSAVG: 3183400 1.87486 13.4602 -14.7744 13.4603 -7.27731 -42.9235 -14.7744 -42.9235 -5.19323 GPRESSAVG: 3183400 0.23989 14.7841 -15.5446 11.577 -7.24559 -44.6925 -15.6833 -44.0258 -3.47861 TIMING: 3183400 CPU: 9947.07, 0.00311154/step Wall: 9947.07, 0.00311154/step, 1.57012 hours remaining, 235.281250 MB of memory in use. ENERGY: 3183400 3976.8523 20530.5633 14485.1262 237.9436 -203565.9612 2981.2189 0.0000 0.0000 52089.1980 -109265.0590 299.3573 -161354.2570 -108907.4591 298.9866 100.4467 131.5732 762180.0596 -3.5319 -3.4948 PRESSURE: 3183600 -181.279 -62.0551 -160.918 -62.0548 -103.64 -121.252 -160.917 -121.251 -27.937 GPRESSURE: 3183600 -160.69 -125.432 -111.355 -37.3659 -20.5979 -93.0553 -83.831 -98.3841 -54.9328 PRESSAVG: 3183600 -0.122284 -54.6562 -10.1044 -54.6562 -16.3256 22.178 -10.1044 22.178 2.92762 GPRESSAVG: 3183600 1.13035 -55.5874 -11.2074 -52.9624 -17.076 21.3549 -8.56019 24.1828 2.02903 TIMING: 3183600 CPU: 9947.7, 0.00313776/step Wall: 9947.7, 0.00313776/step, 1.58318 hours remaining, 235.281250 MB of memory in use. ENERGY: 3183600 4039.1935 20455.8204 14462.6080 252.9871 -203491.5310 2973.6840 0.0000 0.0000 51906.0076 -109401.2304 298.3045 -161307.2380 -109047.3943 298.7782 -104.2855 -78.7401 762725.8474 -4.5067 -4.6389 PRESSURE: 3183800 -105.634 -152.002 68.6448 -152.003 -139.275 145.251 68.6448 145.251 -233.269 GPRESSURE: 3183800 -117.567 -161.241 88.206 -123.833 -178.901 126.243 89.8403 211.191 -99.3939 PRESSAVG: 3183800 33.3857 -53.7587 6.59338 -53.7588 16.7472 31.1514 6.59338 31.1515 0.349726 GPRESSAVG: 3183800 33.8706 -53.8541 9.18839 -53.4736 15.9178 30.5377 4.47501 31.3702 1.17004 TIMING: 3183800 CPU: 9948.32, 0.00312574/step Wall: 9948.32, 0.00312574/step, 1.57694 hours remaining, 235.281250 MB of memory in use. ENERGY: 3183800 4042.9829 20401.1976 14402.5049 237.0384 -203326.9053 2583.6378 0.0000 0.0000 52305.3587 -109354.1850 300.5996 -161659.5436 -108983.6546 298.7982 -159.3924 -131.9538 761974.8089 16.8275 16.9861 PRESSURE: 3184000 215.686 39.9497 -162.195 39.9492 115.503 146.638 -162.195 146.638 -35.7056 GPRESSURE: 3184000 230.918 65.106 -101.552 24.3629 142.634 124.691 -255.053 -24.1625 -4.67886 PRESSAVG: 3184000 -1.49213 -18.9841 46.8469 -18.9841 25.0939 -21.7962 46.8469 -21.7962 14.1184 GPRESSAVG: 3184000 -3.35508 -18.3536 47.509 -19.9072 26.2217 -19.6387 48.0854 -24.2648 15.2453 TIMING: 3184000 CPU: 9948.95, 0.00312693/step Wall: 9948.95, 0.00312693/step, 1.57736 hours remaining, 235.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3184000 3986.4551 20542.7765 14483.2701 235.3851 -203442.7577 2939.1224 0.0000 0.0000 51925.8251 -109329.9234 298.4184 -161255.7485 -108964.5229 298.7861 98.4946 122.9575 762737.9699 12.5734 12.7040 PRESSURE: 3184200 264.021 151.735 -20.555 151.735 -614.494 216.406 -20.5547 216.406 -112.374 GPRESSURE: 3184200 301.001 194.871 -55.2614 176.308 -529.16 186.027 -127.803 200.625 -163.714 PRESSAVG: 3184200 12.6641 -15.6367 19.8891 -15.6367 13.7329 53.4524 19.8891 53.4524 23.9441 GPRESSAVG: 3184200 13.556 -16.7429 19.9226 -14.7245 14.034 53.0857 18.0623 53.2608 23.0447 TIMING: 3184200 CPU: 9949.57, 0.00313626/step Wall: 9949.57, 0.00313626/step, 1.5819 hours remaining, 235.281250 MB of memory in use. ENERGY: 3184200 4128.1005 20428.0649 14472.1616 240.1552 -203059.9429 2511.2341 0.0000 0.0000 51997.9414 -109282.2851 298.8329 -161280.2266 -108920.7624 299.1004 -154.2822 -130.6243 762025.3809 16.7804 16.8782 LDB: ============= START OF LOAD BALANCING ============== 9962.05 LDB: ============== END OF LOAD BALANCING =============== 9962.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9962.06 LDB: ============= START OF LOAD BALANCING ============== 9962.37 LDB: Largest compute 7007 load 0.032454 is 16.6% of average load 0.195249 LDB: Average compute 0.004378 is 2.2% of average load 0.195249 LDB: TIME 9962.37 LOAD: AVG 0.195249 MAX 0.216127 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.793 MB LDB: TIME 9962.37 LOAD: AVG 0.195249 MAX 0.216127 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.793 MB LDB: TIME 9962.37 LOAD: AVG 0.195249 MAX 0.216127 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.793 MB LDB: ============== END OF LOAD BALANCING =============== 9962.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9962.38 PRESSURE: 3184400 -322.631 131.599 -59.9553 131.599 -189.191 -57.5266 -59.9569 -57.5268 -394.113 GPRESSURE: 3184400 -298.147 176.864 -189.346 56.2347 -127.854 -107.472 -98.4687 79.0015 -386.456 PRESSAVG: 3184400 14.4396 9.88575 -63.9249 9.88573 5.40209 -3.35995 -63.9248 -3.35999 16.5327 GPRESSAVG: 3184400 14.2338 11.4026 -66.8481 7.54679 6.67812 -3.60901 -63.2764 -0.298945 15.2173 TIMING: 3184400 CPU: 9950.22, 0.00320366/step Wall: 9950.22, 0.00320366/step, 1.61571 hours remaining, 233.027344 MB of memory in use. ENERGY: 3184400 3996.3789 20405.4534 14477.9123 252.5128 -202758.0429 2398.8137 0.0000 0.0000 51690.9922 -109535.9795 297.0688 -161226.9717 -109176.2877 298.6443 -301.9783 -270.8188 762047.0791 12.1248 12.0431 PRESSURE: 3184600 -99.2401 -271.58 -142.308 -271.58 -182.059 113.79 -142.308 113.79 102.28 GPRESSURE: 3184600 -26.2214 -259.632 -146.036 -294.771 -227.349 179.403 -16.0322 63.8253 155.032 PRESSAVG: 3184600 -27.8595 10.6148 -15.2959 10.6148 -6.90778 39.7085 -15.296 39.7085 -8.20282 GPRESSAVG: 3184600 -27.8698 10.609 -12.132 11.8285 -6.91068 38.8036 -14.1899 37.5879 -7.36788 TIMING: 3184600 CPU: 9950.84, 0.00313486/step Wall: 9950.84, 0.00313486/step, 1.58084 hours remaining, 233.027344 MB of memory in use. ENERGY: 3184600 4028.2739 20251.9399 14506.9774 240.5191 -203202.4901 2603.4856 0.0000 0.0000 52042.7035 -109528.5907 299.0901 -161571.2942 -109159.0892 298.4411 -59.6728 -32.8461 762388.2119 -14.3234 -14.0495 PRESSURE: 3184800 -30.4693 -110.979 -71.2561 -110.979 27.56 25.6051 -71.257 25.6048 -168.585 GPRESSURE: 3184800 97.9954 7.25568 -23.4738 -107.46 18.568 -32.7527 -116.58 77.0004 -187.199 PRESSAVG: 3184800 4.08207 -29.0539 -0.526261 -29.0539 -32.1546 41.5252 -0.526287 41.5251 0.374834 GPRESSAVG: 3184800 4.33672 -28.9804 -0.344161 -29.2539 -33.3387 43.3871 -2.23363 40.3439 0.74159 TIMING: 3184800 CPU: 9951.47, 0.00311604/step Wall: 9951.47, 0.00311604/step, 1.57118 hours remaining, 233.027344 MB of memory in use. ENERGY: 3184800 3941.3375 20646.6998 14382.9856 241.4303 -203166.7763 2524.4205 0.0000 0.0000 51807.9049 -109621.9977 297.7407 -161429.9026 -109269.9107 298.2295 -57.1648 -23.5452 763250.4819 -9.2326 -9.4201 PRESSURE: 3185000 -211.915 82.449 23.3359 82.449 45.6995 169.747 23.3363 169.747 -199.748 GPRESSURE: 3185000 -159.849 133.527 39.3638 55.9944 21.5241 205.388 38.4766 81.0647 -133.103 PRESSAVG: 3185000 -19.014 1.45935 -6.80327 1.45931 28.2513 5.65571 -6.8033 5.65573 12.4242 GPRESSAVG: 3185000 -18.3639 1.44937 -7.99337 1.2789 28.1119 4.19741 -4.76097 7.47187 11.5544 TIMING: 3185000 CPU: 9952.09, 0.00311993/step Wall: 9952.09, 0.00311993/step, 1.57297 hours remaining, 233.027344 MB of memory in use. ENERGY: 3185000 3972.7902 20333.7832 14452.4992 245.3820 -203184.9801 2467.4151 0.0000 0.0000 51990.8163 -109722.2941 298.7919 -161713.1104 -109364.3600 298.1399 -121.9878 -90.4761 762259.1345 7.2205 7.1008 PRESSURE: 3185200 -386.151 -120.73 -36.4185 -120.728 -69.9978 -198.235 -36.419 -198.234 177.654 GPRESSURE: 3185200 -245.456 -90.0993 67.5093 -61.797 -82.7673 -221.69 -122.126 -131.185 129.014 PRESSAVG: 3185200 -80.6894 -52.1067 8.25798 -52.1067 41.1424 -0.216086 8.25794 -0.216002 3.47374 GPRESSAVG: 3185200 -80.3987 -52.7252 7.87533 -51.4456 41.7408 -0.326902 5.63317 -1.16549 3.02881 TIMING: 3185200 CPU: 9952.71, 0.00311694/step Wall: 9952.71, 0.00311694/step, 1.57128 hours remaining, 233.027344 MB of memory in use. ENERGY: 3185200 4082.1671 20413.5155 14415.7579 258.1453 -203657.2126 2835.0806 0.0000 0.0000 51985.0052 -109667.5410 298.7585 -161652.5462 -109303.5669 297.9004 -92.8318 -66.4033 762101.3216 -12.0244 -11.8764 PRESSURE: 3185400 198.047 32.0107 -104.206 32.0118 289.724 -113.314 -104.205 -113.313 -144.621 GPRESSURE: 3185400 230.577 120.829 -141.049 6.17148 270.26 -127.606 -22.4853 -36.1779 -83.4835 PRESSAVG: 3185400 -39.0826 3.60601 -13.691 3.60597 49.1793 14.1073 -13.691 14.1073 -10.8231 GPRESSAVG: 3185400 -39.9632 3.03118 -13.1429 4.40105 49.1416 13.9161 -11.0674 14.5986 -10.1841 TIMING: 3185400 CPU: 9953.34, 0.00311971/step Wall: 9953.34, 0.00311971/step, 1.57251 hours remaining, 233.027344 MB of memory in use. ENERGY: 3185400 3885.6885 20415.9604 14390.2943 247.6975 -203814.7392 3035.4237 0.0000 0.0000 52249.7354 -109589.9393 300.2799 -161839.6748 -109228.4291 298.4006 114.3834 139.1180 763967.7060 -0.2421 -0.3352 PRESSURE: 3185600 22.2301 62.4894 22.212 62.4886 -61.3999 224.602 22.2126 224.602 188.16 GPRESSURE: 3185600 -12.124 98.3079 2.35236 66.3622 61.1286 227.76 -1.83867 171.25 193.66 PRESSAVG: 3185600 -8.65534 19.5279 -9.88578 19.5279 -7.70046 3.93338 -9.88574 3.93336 20.0662 GPRESSAVG: 3185600 -8.32204 17.9253 -10.6497 18.8812 -8.22588 4.3457 -11.3559 3.17506 20.6771 TIMING: 3185600 CPU: 9953.96, 0.00312377/step Wall: 9953.96, 0.00312377/step, 1.57438 hours remaining, 233.027344 MB of memory in use. ENERGY: 3185600 3959.9961 20355.7354 14416.2536 270.9389 -203501.8405 3119.6535 0.0000 0.0000 52024.9690 -109354.2940 298.9882 -161379.2631 -108992.6234 298.2814 49.6634 80.8882 764231.2791 1.2368 1.3764 PRESSURE: 3185800 25.6956 109.486 -42.7941 109.486 204.873 64.2965 -42.7944 64.2971 31.2073 GPRESSURE: 3185800 -5.93114 25.4815 -33.6506 49.1864 229.223 134.403 -149.938 29.5591 132.744 PRESSAVG: 3185800 -69.2528 25.173 -16.0629 25.173 29.3601 29.5174 -16.0629 29.5173 6.13082 GPRESSAVG: 3185800 -68.7885 25.5028 -15.3072 25.0077 28.6999 29.6229 -16.7859 30.1044 6.29919 TIMING: 3185800 CPU: 9954.59, 0.00311967/step Wall: 9954.59, 0.00311967/step, 1.57214 hours remaining, 233.027344 MB of memory in use. ENERGY: 3185800 3997.6889 20355.4175 14414.2199 235.0813 -203097.3227 2695.8992 0.0000 0.0000 51886.9030 -109512.1128 298.1947 -161399.0158 -109162.2994 298.6118 87.2587 118.6786 763502.9803 -11.2540 -11.2632 PRESSURE: 3186000 -184.003 -87.8705 -40.3448 -87.8708 -87.4555 43.385 -40.3442 43.3851 224.838 GPRESSURE: 3186000 -237.827 -140.676 -46.3437 -36.5581 19.3766 91.8695 -71.3894 -31.5586 252.768 PRESSAVG: 3186000 -36.7977 18.969 -25.3816 18.9691 40.8495 14.1339 -25.3816 14.1338 12.7576 GPRESSAVG: 3186000 -38.0599 22.0134 -25.2196 18.7946 42.575 13.3674 -23.7472 12.3249 12.2278 TIMING: 3186000 CPU: 9955.21, 0.00310702/step Wall: 9955.21, 0.00310702/step, 1.56559 hours remaining, 233.027344 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: 3186000 4063.4933 20627.0652 14482.6744 229.2874 -203194.4343 2605.5281 0.0000 0.0000 51499.0459 -109687.3398 295.9657 -161186.3857 -109338.2886 298.1456 -15.5401 11.4393 762366.4376 5.6031 5.5810 PRESSURE: 3186200 153.751 28.1148 167.174 28.1153 -206.886 103.258 167.174 103.26 -95.082 GPRESSURE: 3186200 198.346 -2.67022 152.577 42.8178 -161.864 121.055 183.083 146.158 -128.032 PRESSAVG: 3186200 -3.14371 5.94195 13.3822 5.94189 57.98 52.8487 13.3821 52.8487 32.4056 GPRESSAVG: 3186200 -2.81334 2.20748 12.921 6.58428 56.5493 53.0772 13.0368 54.2043 33.2357 TIMING: 3186200 CPU: 9955.83, 0.00311851/step Wall: 9955.83, 0.00311851/step, 1.57121 hours remaining, 233.027344 MB of memory in use. ENERGY: 3186200 4039.6574 20502.3588 14457.1520 243.8012 -203514.7208 2729.9946 0.0000 0.0000 51988.1584 -109553.5982 298.7767 -161541.7567 -109189.1789 298.4340 -49.4057 -30.5166 761826.2278 29.0806 28.9905 PRESSURE: 3186400 175.395 213.83 -78.8552 213.83 295.005 71.9689 -78.855 71.9693 -435.424 GPRESSURE: 3186400 83.5228 152.174 -65.2106 112.231 348.298 47.844 -43.3503 163.352 -319.435 PRESSAVG: 3186400 -18.765 -8.47694 -10.6943 -8.47689 -14.9978 33.9122 -10.6942 33.9123 10.0117 GPRESSAVG: 3186400 -19.3508 -5.27006 -11.5698 -10.1268 -12.9908 32.3643 -10.1582 34.1551 8.48006 TIMING: 3186400 CPU: 9956.45, 0.00311415/step Wall: 9956.45, 0.00311415/step, 1.56884 hours remaining, 233.027344 MB of memory in use. ENERGY: 3186400 4000.8581 20686.1444 14366.9654 240.9325 -203785.6410 2796.1024 0.0000 0.0000 51917.3997 -109777.2385 298.3700 -161694.6382 -109414.2719 298.6581 11.6587 37.4619 761625.1606 -7.9170 -7.9539 PRESSURE: 3186600 -153.643 38.9914 -121.352 38.9921 -50.2688 -20.7479 -121.354 -20.7476 -463.083 GPRESSURE: 3186600 -210.138 -50.9497 -106.748 39.2525 -3.38493 76.7177 -46.6845 -58.2032 -348.219 PRESSAVG: 3186600 -26.4297 35.1523 -23.3028 35.1523 96.243 -32.712 -23.3028 -32.712 -3.24474 GPRESSAVG: 3186600 -25.4292 36.3859 -20.1591 34.1512 94.4358 -31.0501 -24.0029 -33.0149 -1.97723 TIMING: 3186600 CPU: 9957.08, 0.00313853/step Wall: 9957.08, 0.00313853/step, 1.58095 hours remaining, 233.027344 MB of memory in use. ENERGY: 3186600 4021.6052 20489.4181 14409.9391 244.8514 -203500.7551 2614.8256 0.0000 0.0000 52093.9426 -109626.1731 299.3846 -161720.1157 -109267.3804 298.3867 -222.3315 -187.2473 762944.3314 22.1895 22.3431 PRESSURE: 3186800 240.035 -120.02 -136.359 -120.019 -261.018 124.504 -136.358 124.504 8.55485 GPRESSURE: 3186800 283.254 -53.1679 -191.772 -101.221 -262.151 101.599 -174.09 117.465 67.8543 PRESSAVG: 3186800 22.0042 40.7774 -50.2485 40.7774 -2.86095 5.08384 -50.2484 5.08383 -19.036 GPRESSAVG: 3186800 21.6648 39.9715 -52.3662 43.5141 -2.433 5.1274 -47.4403 4.96426 -18.9109 TIMING: 3186800 CPU: 9957.7, 0.00311833/step Wall: 9957.7, 0.00311833/step, 1.5706 hours remaining, 233.027344 MB of memory in use. ENERGY: 3186800 3950.7697 20343.0133 14347.2285 247.4892 -203641.6662 2901.0523 0.0000 0.0000 51866.9121 -109985.2012 298.0799 -161852.1133 -109610.2880 297.6733 -4.1426 29.6525 763093.9632 0.0357 0.1070 PRESSURE: 3187000 -316.217 -35.2833 -8.12294 -35.283 -197.96 -99.9321 -8.12281 -99.93 -563.228 GPRESSURE: 3187000 -302.647 -198.123 -7.4872 -46.0836 -161.592 -161.191 124.036 -121.981 -546.489 PRESSAVG: 3187000 -17.1642 12.5246 -3.84367 12.5247 27.9553 -17.1168 -3.84377 -17.1167 0.397942 GPRESSAVG: 3187000 -18.6237 9.54773 -4.49294 12.5426 28.5809 -17.5623 -5.09601 -18.6966 0.796475 TIMING: 3187000 CPU: 9958.33, 0.00313188/step Wall: 9958.33, 0.00313188/step, 1.57725 hours remaining, 233.027344 MB of memory in use. ENERGY: 3187000 3969.4085 20377.7709 14359.2996 233.1638 -203060.0658 2407.8748 0.0000 0.0000 51768.4852 -109944.0630 297.5142 -161712.5482 -109584.0749 297.4519 -359.1350 -336.9097 764753.2629 3.7297 3.5846 PRESSURE: 3187200 81.5021 251.789 -18.1972 251.788 -2.53059 -56.686 -18.1976 -56.6864 15.9182 GPRESSURE: 3187200 93.8663 220.831 -62.1754 401.419 45.9907 -73.3412 -18.6274 62.9643 36.6011 PRESSAVG: 3187200 5.08379 51.17 29.9351 51.1701 10.0318 -10.1362 29.9351 -10.1362 15.0297 GPRESSAVG: 3187200 5.61255 51.2429 30.6059 49.7975 10.4017 -9.57523 30.3046 -8.28609 13.3102 TIMING: 3187200 CPU: 9958.96, 0.00313653/step Wall: 9958.96, 0.00313654/step, 1.57942 hours remaining, 233.027344 MB of memory in use. ENERGY: 3187200 3985.3926 20370.5967 14385.1912 225.7318 -203692.7933 2862.0654 0.0000 0.0000 52031.0278 -109832.7878 299.0230 -161863.8156 -109479.3996 297.6403 31.6299 58.8193 763794.0141 10.0484 9.7748 PRESSURE: 3187400 124.817 124.286 81.7371 124.287 139.141 240.519 81.737 240.519 11.9999 GPRESSURE: 3187400 166.103 180.763 -7.74611 115.656 169.578 173.001 177.634 236.059 11.7404 PRESSAVG: 3187400 -19.7101 12.2029 7.5758 12.2029 -9.64607 29.7679 7.5758 29.7678 5.90129 GPRESSAVG: 3187400 -19.2215 13.0028 5.94064 11.9716 -9.96898 28.8926 6.33304 28.9521 5.76637 TIMING: 3187400 CPU: 9959.59, 0.00316145/step Wall: 9959.59, 0.00316145/step, 1.59179 hours remaining, 233.027344 MB of memory in use. ENERGY: 3187400 4032.2207 20400.4530 14458.5192 271.1322 -203863.6276 3068.1201 0.0000 0.0000 51778.8126 -109854.3699 297.5735 -161633.1825 -109492.4569 297.7285 91.9858 115.8070 762264.8079 -7.8183 -7.8080 PRESSURE: 3187600 52.241 47.7221 -1.07199 47.7223 -3.46222 -153.53 -1.07228 -153.53 135.336 GPRESSURE: 3187600 54.7923 41.0566 -18.2534 63.3573 13.2665 -164.864 84.5128 -57.5935 188.925 PRESSAVG: 3187600 6.88874 -35.4598 -18.5692 -35.4598 -32.0658 -30.2477 -18.5692 -30.2477 -5.22388 GPRESSAVG: 3187600 6.24614 -34.4869 -18.7305 -35.616 -31.5966 -29.0904 -17.2022 -29.1921 -5.73025 TIMING: 3187600 CPU: 9960.22, 0.00313042/step Wall: 9960.22, 0.00313042/step, 1.57599 hours remaining, 233.027344 MB of memory in use. ENERGY: 3187600 3887.7911 20410.6049 14431.2254 264.6930 -203769.6676 2857.6232 0.0000 0.0000 52010.0386 -109907.6913 298.9024 -161917.7300 -109533.5460 297.5122 61.3715 85.6612 761366.1690 -10.1336 -10.3602 PRESSURE: 3187800 -94.9085 -35.2806 -27.0502 -35.2817 367.378 33.4834 -27.0504 33.4834 345.604 GPRESSURE: 3187800 -36.2169 43.8819 -24.0911 -116.793 300.69 38.4112 -122.101 -41.2168 429.637 PRESSAVG: 3187800 -19.2155 -18.8472 -24.3365 -18.8473 50.9265 4.18303 -24.3365 4.18309 5.24686 GPRESSAVG: 3187800 -18.8425 -20.0095 -23.066 -16.0753 49.8799 2.35667 -24.9491 3.86131 5.35631 TIMING: 3187800 CPU: 9960.84, 0.0031323/step Wall: 9960.84, 0.0031323/step, 1.57677 hours remaining, 233.027344 MB of memory in use. ENERGY: 3187800 3934.1795 20455.5481 14526.1450 235.6621 -203602.8123 2910.7832 0.0000 0.0000 51643.8572 -109896.6372 296.7980 -161540.4944 -109545.0991 297.7058 206.0244 231.3700 761471.2897 12.3193 12.1312 PRESSURE: 3188000 -72.488 84.9709 -39.4293 84.9697 342.637 -1.74255 -39.4293 -1.74204 333.355 GPRESSURE: 3188000 -42.0865 151.504 13.9946 126.01 417.299 11.6082 -86.7589 -99.5432 295.08 PRESSAVG: 3188000 -21.3576 14.0028 -10.1287 14.0029 19.8258 -20.808 -10.1287 -20.808 -1.69268 GPRESSAVG: 3188000 -22.0313 14.8591 -9.58509 13.1047 20.7475 -19.6391 -9.80364 -23.8143 -2.07726 TIMING: 3188000 CPU: 9961.47, 0.00313162/step Wall: 9961.47, 0.00313162/step, 1.57625 hours remaining, 233.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3188000 3880.5290 20415.1028 14484.2130 254.3486 -203297.8919 2579.3038 0.0000 0.0000 51853.0041 -109831.3906 297.9999 -161684.3947 -109463.3400 298.0717 201.1679 223.4310 761509.3158 -1.0748 -1.1204 PRESSURE: 3188200 -343.119 -25.155 56.0438 -25.1552 -147.067 -4.9772 56.0427 -4.97551 -428.977 GPRESSURE: 3188200 -315.649 -53.2335 59.2929 -84.7173 -100.937 -20.7068 38.8967 -47.1084 -420.512 PRESSAVG: 3188200 7.91877 32.121 5.51606 32.1209 29.6176 -20.9947 5.51608 -20.9947 16.4951 GPRESSAVG: 3188200 7.95609 33.3842 3.86176 28.7797 29.2896 -21.2209 7.27405 -19.7077 16.2473 TIMING: 3188200 CPU: 9962.1, 0.00313722/step Wall: 9962.1, 0.00313722/step, 1.57889 hours remaining, 233.027344 MB of memory in use. ENERGY: 3188200 4019.2900 20554.9776 14448.7446 233.1888 -203727.7223 2924.7279 0.0000 0.0000 51864.4522 -109682.3411 298.0657 -161546.7934 -109316.6803 298.4067 -306.3876 -279.0325 759842.9895 18.0105 17.8310 LDB: ============= START OF LOAD BALANCING ============== 9974.58 LDB: ============== END OF LOAD BALANCING =============== 9974.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9974.58 LDB: ============= START OF LOAD BALANCING ============== 9974.89 LDB: Largest compute 7007 load 0.031358 is 16.1% of average load 0.195301 LDB: Average compute 0.004369 is 2.2% of average load 0.195301 LDB: TIME 9974.89 LOAD: AVG 0.195301 MAX 0.214053 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.82 MB LDB: TIME 9974.89 LOAD: AVG 0.195301 MAX 0.214053 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.023 MB LDB: TIME 9974.89 LOAD: AVG 0.195301 MAX 0.214053 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.023 MB LDB: ============== END OF LOAD BALANCING =============== 9974.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9974.9 PRESSURE: 3188400 -20.2549 -125.537 26.2793 -125.537 -133.177 -73.3428 26.2792 -73.3429 -44.9006 GPRESSURE: 3188400 35.2046 -96.5395 66.3248 -175.359 -112.288 -43.4692 -75.9916 -183.945 -44.9356 PRESSAVG: 3188400 -42.8612 26.8703 44.4952 26.8703 -23.2145 -27.8443 44.4952 -27.8443 4.50621 GPRESSAVG: 3188400 -43.1534 24.813 46.8529 27.5002 -22.539 -28.3495 41.4929 -26.545 4.32555 TIMING: 3188400 CPU: 9962.73, 0.0031887/step Wall: 9962.73, 0.0031887/step, 1.60463 hours remaining, 234.562500 MB of memory in use. ENERGY: 3188400 3945.6647 20523.2342 14469.6699 254.8813 -203460.6682 2748.6349 0.0000 0.0000 51794.7615 -109723.8217 297.6652 -161518.5832 -109371.1090 298.4351 -66.1110 -40.6730 761633.9910 -20.5232 -20.4556 PRESSURE: 3188600 -297.526 278.307 164.574 278.307 -44.6261 -34.6199 164.573 -34.6201 11.4381 GPRESSURE: 3188600 -174.199 289.307 168.619 257.462 -23.3052 39.4722 108.736 -88.37 -51.5076 PRESSAVG: 3188600 -46.0234 15.9359 12.4711 15.9359 38.823 10.5722 12.4711 10.5722 3.37752 GPRESSAVG: 3188600 -45.8179 16.7423 11.7567 16.6726 36.9264 9.70153 13.4676 10.2297 4.78975 TIMING: 3188600 CPU: 9963.36, 0.00313379/step Wall: 9963.36, 0.00313379/step, 1.57682 hours remaining, 234.562500 MB of memory in use. ENERGY: 3188600 3976.3755 20435.4763 14438.6258 257.1487 -202918.5022 2399.7805 0.0000 0.0000 51849.5332 -109561.5623 297.9800 -161411.0954 -109197.2484 298.3363 -110.2381 -83.0038 762590.5824 -1.2743 -1.3673 PRESSURE: 3188800 -214.979 55.6972 137.118 55.6974 -123.44 -429.939 137.117 -429.937 48.0988 GPRESSURE: 3188800 -277.576 -18.4804 12.945 38.9183 -106.92 -458.393 198.487 -322.292 169.552 PRESSAVG: 3188800 -11.9021 -12.1359 9.62368 -12.1359 33.4235 -16.3849 9.62365 -16.3848 -13.2685 GPRESSAVG: 3188800 -12.4627 -12.6495 8.16348 -10.4856 33.6988 -14.435 10.5003 -16.3609 -12.6954 TIMING: 3188800 CPU: 9963.99, 0.00312419/step Wall: 9963.99, 0.00312419/step, 1.57181 hours remaining, 234.562500 MB of memory in use. ENERGY: 3188800 3972.9634 20710.9730 14437.0194 257.3163 -203092.9445 2668.1167 0.0000 0.0000 51717.2866 -109329.2690 297.2200 -161046.5556 -108980.1563 298.6271 -96.7735 -71.6479 763893.0916 2.7510 2.8469 PRESSURE: 3189000 -518.627 34.0473 -59.5942 34.0473 -402.442 167.288 -59.5942 167.286 133.532 GPRESSURE: 3189000 -399.347 -80.8339 -17.6775 95.502 -358.702 69.8096 -37.8587 125.529 44.36 PRESSAVG: 3189000 -14.1833 8.05954 -17.1457 8.05956 32.0763 -10.7804 -17.1457 -10.7804 -9.25569 GPRESSAVG: 3189000 -13.3539 8.26175 -15.5704 7.57554 31.6352 -12.4961 -17.719 -11.0622 -10.3253 TIMING: 3189000 CPU: 9964.61, 0.00311977/step Wall: 9964.61, 0.00311977/step, 1.56942 hours remaining, 234.562500 MB of memory in use. ENERGY: 3189000 4018.1545 20587.1694 14448.3715 252.4897 -202896.3083 2468.0393 0.0000 0.0000 51830.5941 -109291.4897 297.8711 -161122.0838 -108934.2882 298.7605 -262.5123 -237.8966 762619.9020 2.8791 2.6520 PRESSURE: 3189200 -70.5253 -11.8766 -134.161 -11.8768 -141.799 -152.409 -134.16 -152.409 104.497 GPRESSURE: 3189200 -60.7337 -51.8651 -150.839 76.2884 -22.7482 -193.286 -104.936 -184.475 40.8064 PRESSAVG: 3189200 -7.28518 -8.82549 1.55275 -8.82548 22.2482 -0.9776 1.55279 -0.97757 3.53494 GPRESSAVG: 3189200 -8.05326 -8.67431 0.990676 -9.35947 23.8542 1.63153 1.05338 -2.53212 3.3749 TIMING: 3189200 CPU: 9965.23, 0.00311565/step Wall: 9965.23, 0.00311565/step, 1.56717 hours remaining, 234.562500 MB of memory in use. ENERGY: 3189200 4045.0422 20451.5532 14425.8462 241.2761 -203001.3382 2616.7089 0.0000 0.0000 52012.4717 -109208.4399 298.9164 -161220.9116 -108844.8840 299.2356 -35.9424 -14.2252 762762.1055 6.1660 6.3920 PRESSURE: 3189400 62.6557 103.858 177.877 103.858 8.41399 61.4997 177.878 61.5 -10.8636 GPRESSURE: 3189400 134.745 62.0812 141.699 -96.5247 -7.83869 170.229 -44.153 124.998 30.3471 PRESSAVG: 3189400 -40.3875 24.805 44.1069 24.805 48.8947 29.301 44.1068 29.3011 16.7705 GPRESSAVG: 3189400 -38.9948 26.7197 44.4985 25.6961 47.2754 26.3408 41.6181 32.5524 17.4053 TIMING: 3189400 CPU: 9965.85, 0.0031065/step Wall: 9965.85, 0.0031065/step, 1.5624 hours remaining, 234.562500 MB of memory in use. ENERGY: 3189400 3973.2626 20493.2408 14333.8121 240.7842 -203155.3312 2654.2938 0.0000 0.0000 52070.6065 -109389.3312 299.2505 -161459.9376 -109032.6268 299.0246 20.0687 52.4177 761816.9147 8.4259 8.5620 PRESSURE: 3189600 159.434 -80.2787 -49.9069 -80.2785 -49.4938 -24.9836 -49.9075 -24.9839 -197.238 GPRESSURE: 3189600 126.49 -244.293 -26.4221 -140.747 3.03213 3.76433 -85.4359 -114.263 -126.986 PRESSAVG: 3189600 -14.2209 -44.9835 6.16746 -44.9835 12.3844 -2.02296 6.16751 -2.02303 5.07589 GPRESSAVG: 3189600 -15.5318 -48.5781 4.99905 -47.5251 13.2298 -0.669312 6.51645 -1.98415 5.83853 TIMING: 3189600 CPU: 9966.48, 0.0031369/step Wall: 9966.48, 0.0031369/step, 1.57751 hours remaining, 234.562500 MB of memory in use. ENERGY: 3189600 4019.7546 20499.5913 14382.9295 254.0074 -203078.2851 2600.3201 0.0000 0.0000 52117.4282 -109204.2539 299.5196 -161321.6821 -108840.3685 299.3490 -29.0992 0.8453 761908.8225 1.0798 1.1788 PRESSURE: 3189800 -352.617 35.3031 12.2308 35.3036 -210.007 -143.676 12.2299 -143.675 149.858 GPRESSURE: 3189800 -378.899 110.992 36.5083 -0.63449 -63.0559 -151.725 116.008 -51.6189 120.493 PRESSAVG: 3189800 4.05586 6.624 38.4984 6.62403 4.61796 -8.49625 38.4983 -8.49628 -0.0395266 GPRESSAVG: 3189800 3.82573 9.13739 39.9735 6.36579 4.24412 -9.11524 37.7189 -8.57156 0.405224 TIMING: 3189800 CPU: 9967.11, 0.00311628/step Wall: 9967.11, 0.00311628/step, 1.56697 hours remaining, 234.562500 MB of memory in use. ENERGY: 3189800 4006.7812 20537.8137 14433.4323 246.5319 -202818.2011 2443.7541 0.0000 0.0000 52100.8073 -109049.0806 299.4241 -161149.8880 -108682.5715 299.8672 -137.5889 -107.1540 762181.4864 2.8781 2.8250 PRESSURE: 3190000 -260.673 -190.12 -88.5095 -190.12 103.005 -201.114 -88.5096 -201.114 -340.818 GPRESSURE: 3190000 -134.357 -183.825 -105.026 -258.99 39.0109 -160.27 -107.8 -115.816 -307.939 PRESSAVG: 3190000 -42.0414 14.8922 13.4341 14.8922 -0.512394 13.6677 13.4341 13.6678 12.6775 GPRESSAVG: 3190000 -42.3372 13.9797 11.9776 16.0322 1.1206 12.7726 15.3803 14.1315 11.8662 TIMING: 3190000 CPU: 9967.73, 0.00310451/step Wall: 9967.73, 0.00310451/step, 1.56088 hours remaining, 234.562500 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: 3190000 4067.7379 20515.4555 14445.3056 247.5455 -203128.7707 2504.2996 0.0000 0.0000 52459.6594 -108888.7672 301.4864 -161348.4266 -108521.1763 300.2556 -166.1618 -134.4284 762274.5023 -9.9588 -9.7835 PRESSURE: 3190200 53.7092 58.3614 131.998 58.3618 35.0727 149.117 131.998 149.117 228.957 GPRESSURE: 3190200 98.6981 112.254 274.575 92.7971 73.4479 146.594 -87.1792 84.9455 218.967 PRESSAVG: 3190200 -81.3418 -2.85463 -9.09676 -2.85465 88.5198 -0.993652 -9.09669 -0.993625 13.3742 GPRESSAVG: 3190200 -80.7134 -2.2986 -7.65385 -1.35626 87.0688 0.154402 -8.90694 -1.98191 13.3818 TIMING: 3190200 CPU: 9968.35, 0.00310225/step Wall: 9968.35, 0.00310225/step, 1.55957 hours remaining, 234.562500 MB of memory in use. ENERGY: 3190200 3924.4901 20631.2374 14364.8347 255.9395 -202717.5589 2266.4715 0.0000 0.0000 52363.9307 -108910.6550 300.9362 -161274.5858 -108545.8369 300.6577 105.9131 130.3710 762249.6430 6.8507 6.5791 PRESSURE: 3190400 -256.765 60.4732 72.5268 60.4739 -411.693 -88.8135 72.5265 -88.8131 -407.718 GPRESSURE: 3190400 -300.182 102.045 -31.7175 10.0901 -356.45 -101.606 -32.5713 -74.7043 -341.215 PRESSAVG: 3190400 -20.0512 2.33008 0.125314 2.32999 -5.79374 6.70291 0.125362 6.70297 8.1566 GPRESSAVG: 3190400 -21.0686 2.05096 -0.320233 2.89174 -4.86978 7.20811 -2.22764 8.36342 8.24203 TIMING: 3190400 CPU: 9968.97, 0.0031146/step Wall: 9968.97, 0.0031146/step, 1.5656 hours remaining, 234.562500 MB of memory in use. ENERGY: 3190400 4002.8808 20621.4411 14465.8971 237.0049 -202716.3571 2424.4169 0.0000 0.0000 52050.5164 -108914.1999 299.1350 -160964.7163 -108537.2495 300.1634 -358.7255 -332.6156 762756.5440 -5.8961 -5.8988 PRESSURE: 3190600 152.189 116.086 147.912 116.086 -211.135 247.164 147.912 247.162 105.386 GPRESSURE: 3190600 142.524 97.9837 249.635 202.092 -117.863 178.94 115.592 204.404 71.0197 PRESSAVG: 3190600 -10.1438 13.3027 -12.3744 13.3028 51.1113 48.6846 -12.3744 48.6845 0.858451 GPRESSAVG: 3190600 -10.1385 13.098 -14.4162 12.1736 50.4081 48.3624 -10.716 46.8315 0.669468 TIMING: 3190600 CPU: 9969.59, 0.00311597/step Wall: 9969.59, 0.00311597/step, 1.56612 hours remaining, 234.562500 MB of memory in use. ENERGY: 3190600 4020.7712 20473.9307 14449.1985 250.4107 -203472.3110 2819.9108 0.0000 0.0000 52540.2132 -108917.8758 301.9493 -161458.0890 -108541.7788 300.2467 15.4801 31.8937 760140.3132 13.9420 13.6463 PRESSURE: 3190800 -354.903 3.39887 -47.5193 3.39932 -140.076 295.969 -47.5189 295.969 110.909 GPRESSURE: 3190800 -303.222 -24.994 1.61625 -21.2157 -131.489 272.979 30.1215 263.422 136.99 PRESSAVG: 3190800 -49.7815 13.8936 -6.38067 13.8936 16.1211 -1.26395 -6.38064 -1.264 26.8977 GPRESSAVG: 3190800 -50.3895 13.6961 -4.57078 15.337 15.9101 -0.317467 -7.23084 -0.0099485 27.8163 TIMING: 3190800 CPU: 9970.22, 0.00311731/step Wall: 9970.22, 0.00311731/step, 1.56662 hours remaining, 234.562500 MB of memory in use. ENERGY: 3190800 4044.6028 20453.7221 14443.8913 248.9424 -203200.3490 2956.1416 0.0000 0.0000 52291.7138 -108761.3349 300.5212 -161053.0487 -108398.1070 300.4723 -128.0235 -99.2402 762916.2358 -2.2542 -2.2210 PRESSURE: 3191000 186.81 16.8431 -236.581 16.8432 3.08485 -218.72 -236.582 -218.721 -74.4165 GPRESSURE: 3191000 136.575 29.5738 -260.122 12.3259 63.8432 -163.994 -181.269 -262.291 15.7766 PRESSAVG: 3191000 -5.07303 60.6857 -40.2016 60.6857 24.9829 -31.4687 -40.2015 -31.4688 7.37659 GPRESSAVG: 3191000 -5.63226 60.9159 -40.8894 57.0592 26.509 -32.3051 -38.7238 -32.3236 6.48135 TIMING: 3191000 CPU: 9970.84, 0.0031045/step Wall: 9970.84, 0.0031045/step, 1.56001 hours remaining, 234.562500 MB of memory in use. ENERGY: 3191000 4051.3646 20603.1810 14489.2268 259.6262 -203229.8759 2895.1180 0.0000 0.0000 52375.5710 -108555.7882 301.0031 -160931.3592 -108185.7698 301.0000 38.4928 72.0650 762770.2391 9.0955 9.1194 PRESSURE: 3191200 -367.452 -47.7903 145.893 -47.7906 -228.585 -45.7419 145.893 -45.7414 -279.312 GPRESSURE: 3191200 -299.007 40.9037 232.462 -126.548 -172.173 -36.06 45.5088 75.2033 -312.99 PRESSAVG: 3191200 -14.2357 51.5649 1.34439 51.5649 23.2777 -10.6324 1.34438 -10.6325 -14.7723 GPRESSAVG: 3191200 -13.274 51.218 0.225468 53.3588 22.6607 -10.4629 -0.0205125 -8.79446 -15.841 TIMING: 3191200 CPU: 9971.46, 0.00310148/step Wall: 9971.46, 0.00310148/step, 1.55832 hours remaining, 234.562500 MB of memory in use. ENERGY: 3191200 4036.1431 20552.2850 14482.5159 254.8622 -202988.2431 2553.8615 0.0000 0.0000 52324.0106 -108784.5647 300.7068 -161108.5753 -108406.3527 300.4835 -291.7829 -261.3897 763625.0900 -1.9101 -2.1514 PRESSURE: 3191400 -278.041 5.32589 -64.6882 5.32604 56.8311 110.87 -64.6886 110.87 153.419 GPRESSURE: 3191400 -198.767 -51.9412 -117.835 19.1636 79.0187 49.6051 -138.419 -17.9409 152.349 PRESSAVG: 3191400 -8.0246 -7.3003 -16.6217 -7.30037 40.2645 6.77649 -16.6217 6.77652 -7.70001 GPRESSAVG: 3191400 -8.67401 -7.55387 -15.8532 -6.58714 40.7845 6.3587 -16.3028 3.12444 -7.58109 TIMING: 3191400 CPU: 9972.08, 0.00310927/step Wall: 9972.08, 0.00310927/step, 1.56206 hours remaining, 234.562500 MB of memory in use. ENERGY: 3191400 4100.6983 20478.2756 14463.0231 248.3581 -203009.5560 2610.9316 0.0000 0.0000 52157.6846 -108950.5848 299.7509 -161108.2694 -108597.3589 299.9958 -22.5969 10.8668 759755.7591 8.1800 8.1765 PRESSURE: 3191600 6.91753 126.226 -18.2287 126.226 113.674 -91.3741 -18.2282 -91.3741 204.192 GPRESSURE: 3191600 62.9088 149.235 -4.0377 247.21 138.415 -120.665 34.951 -135.054 202.557 PRESSAVG: 3191600 -32.2605 -1.22102 45.2894 -1.22102 -26.186 29.8774 45.2894 29.8774 -6.04951 GPRESSAVG: 3191600 -31.2462 -0.322027 44.3447 -1.95035 -26.9577 30.4186 45.8184 31.0655 -6.65864 TIMING: 3191600 CPU: 9972.7, 0.00311054/step Wall: 9972.7, 0.00311054/step, 1.56253 hours remaining, 234.562500 MB of memory in use. ENERGY: 3191600 4002.3257 20523.1424 14382.3651 257.3761 -203197.7722 2689.8302 0.0000 0.0000 52287.2298 -109055.5030 300.4954 -161342.7328 -108690.2634 300.0609 108.2612 134.6270 760909.8475 -21.4987 -21.6209 PRESSURE: 3191800 -120.74 266.122 -57.1328 266.122 -17.5153 -172.269 -57.1324 -172.269 -155.568 GPRESSURE: 3191800 -147.406 211.92 -104.359 251.753 38.3348 -174.594 -6.93982 -212.767 -110.37 PRESSAVG: 3191800 -26.8742 48.684 -34.3214 48.6839 35.5162 5.79241 -34.3214 5.79235 -1.67507 GPRESSAVG: 3191800 -27.9636 48.8738 -34.2354 49.1569 35.3792 5.14927 -34.0914 7.16849 -0.800025 TIMING: 3191800 CPU: 9973.33, 0.00313406/step Wall: 9973.33, 0.00313406/step, 1.57417 hours remaining, 234.562500 MB of memory in use. ENERGY: 3191800 3900.1243 20524.7216 14399.9981 266.2135 -202806.8503 2321.3914 0.0000 0.0000 52038.4172 -109355.9842 299.0655 -161394.4014 -108994.6927 299.3022 -97.9409 -73.1470 762297.7299 2.3223 2.2052 PRESSURE: 3192000 -24.5682 6.53916 -172.172 6.54061 -343.522 -65.676 -172.172 -65.6756 -390.486 GPRESSURE: 3192000 -110.541 -113.099 -127.766 -103.801 -239.768 -14.7474 -16.1328 -70.2114 -294.383 PRESSAVG: 3192000 -32.413 73.4225 4.39609 73.4225 74.8572 -13.777 4.39604 -13.777 -7.81858 GPRESSAVG: 3192000 -32.8753 73.1599 4.87647 74.019 75.7908 -13.4145 4.64652 -13.0498 -8.47276 TIMING: 3192000 CPU: 9973.95, 0.00312202/step Wall: 9973.95, 0.00312202/step, 1.56795 hours remaining, 234.562500 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: 3192000 4020.5054 20469.5535 14442.9227 254.8478 -203732.3547 2944.6498 0.0000 0.0000 52352.7997 -109247.0759 300.8723 -161599.8755 -108889.0486 299.2102 -252.8589 -214.8975 762773.7273 11.5419 11.4809 PRESSURE: 3192200 107.471 -252.551 43.7335 -252.551 268.709 150.584 43.7338 150.584 -319.745 GPRESSURE: 3192200 25.6882 -243.482 -9.70487 -224.9 290.709 155.257 -70.9852 80.2244 -201.955 PRESSAVG: 3192200 -91.7733 11.1833 -46.551 11.1833 68.574 -27.4474 -46.5509 -27.4474 -3.72267 GPRESSAVG: 3192200 -92.1876 12.007 -47.3757 10.0587 67.9687 -26.925 -47.3419 -30.1838 -2.81532 TIMING: 3192200 CPU: 9974.58, 0.00312189/step Wall: 9974.58, 0.00312189/step, 1.56771 hours remaining, 234.562500 MB of memory in use. ENERGY: 3192200 3962.4344 20398.7202 14512.1279 246.8172 -203201.5839 2565.5793 0.0000 0.0000 52486.1168 -109029.7879 301.6384 -161515.9048 -108660.0464 299.8792 18.8119 38.1474 764133.3059 -8.9740 -9.0114 LDB: ============= START OF LOAD BALANCING ============== 9987.06 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9987.06 LDB: =============== DONE WITH MIGRATION ================ 9987.06 LDB: ============= START OF LOAD BALANCING ============== 9987.37 LDB: Largest compute 7007 load 0.029410 is 15.1% of average load 0.195223 LDB: Average compute 0.004392 is 2.2% of average load 0.195223 LDB: TIME 9987.37 LOAD: AVG 0.195223 MAX 0.215132 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.309 MB LDB: TIME 9987.37 LOAD: AVG 0.195223 MAX 0.215132 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.309 MB LDB: TIME 9987.37 LOAD: AVG 0.195223 MAX 0.215132 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.309 MB LDB: ============== END OF LOAD BALANCING =============== 9987.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9987.38 PRESSURE: 3192400 -56.5628 -110.673 4.00253 -110.673 48.0179 88.2603 4.00333 88.2622 192.741 GPRESSURE: 3192400 -12.0687 -83.2096 47.6984 -219.266 129.768 42.0182 -6.70696 -40.5594 152.087 PRESSAVG: 3192400 -44.995 -10.841 -6.59589 -10.841 66.1996 -32.646 -6.59586 -32.646 20.9942 GPRESSAVG: 3192400 -45.2022 -11.8463 -6.92508 -11.0405 66.4306 -32.7993 -6.03954 -31.599 20.8406 TIMING: 3192400 CPU: 9975.21, 0.00318412/step Wall: 9975.21, 0.00318412/step, 1.59878 hours remaining, 233.597656 MB of memory in use. ENERGY: 3192400 4054.3262 20787.9916 14456.3921 235.4671 -203117.1414 2614.3609 0.0000 0.0000 52110.0680 -108858.5355 299.4773 -160968.6035 -108514.1249 300.2907 61.3988 89.9288 764331.0911 14.0663 14.0230 PRESSURE: 3192600 82.3929 -121.492 193.969 -121.491 370.048 149.192 193.969 149.191 36.2905 GPRESSURE: 3192600 75.7986 -98.4286 274.593 -233.98 396.001 -4.75829 262.881 127.425 95.0331 PRESSAVG: 3192600 -13.6096 -48.0507 -16.5923 -48.0508 16.6612 -48.5469 -16.5922 -48.5469 -0.928067 GPRESSAVG: 3192600 -12.7582 -48.62 -17.9507 -48.9446 16.058 -48.4654 -16.2384 -47.5326 -1.37433 TIMING: 3192600 CPU: 9975.84, 0.00312935/step Wall: 9975.84, 0.00312935/step, 1.57111 hours remaining, 233.597656 MB of memory in use. ENERGY: 3192600 3972.7294 20517.0503 14502.5760 225.0946 -203258.3490 2854.4967 0.0000 0.0000 52169.3594 -109017.0425 299.8180 -161186.4019 -108665.7908 299.5554 162.9104 188.9441 764142.2127 0.7078 0.6418 PRESSURE: 3192800 -423.32 111.052 -100.704 111.052 -137.892 1.80574 -100.704 1.80705 88.0598 GPRESSURE: 3192800 -320.679 14.9677 -143.942 156.202 -139.901 35.1444 -110.589 81.0253 74.9496 PRESSAVG: 3192800 -29.2164 -4.24607 -19.7246 -4.24608 13.0097 14.2802 -19.7246 14.2803 8.85204 GPRESSAVG: 3192800 -29.2335 -4.50595 -19.4328 -2.78034 14.1177 13.4854 -20.4005 14.8153 7.38997 TIMING: 3192800 CPU: 9976.46, 0.00310642/step Wall: 9976.46, 0.00310642/step, 1.55942 hours remaining, 233.597656 MB of memory in use. ENERGY: 3192800 3968.3094 20676.2002 14535.3024 266.9516 -202948.8641 2423.3376 0.0000 0.0000 52127.8482 -108950.9149 299.5795 -161078.7630 -108580.3042 299.5893 -157.7174 -128.5436 763680.9381 -2.4516 -2.5753 PRESSURE: 3193000 382.985 -80.476 22.1622 -80.4761 319.263 -84.2435 22.1614 -84.2424 142.863 GPRESSURE: 3193000 395.168 -52.1204 -31.5124 -16.8731 365.859 -83.1058 118.285 -73.9934 177.292 PRESSAVG: 3193000 -43.115 -4.68809 -51.6248 -4.68808 59.328 -8.60524 -51.6249 -8.60514 -21.9142 GPRESSAVG: 3193000 -43.3887 -2.63291 -49.3704 -1.94543 59.099 -8.08318 -54.469 -6.91157 -21.1312 TIMING: 3193000 CPU: 9977.08, 0.0031151/step Wall: 9977.08, 0.0031151/step, 1.56361 hours remaining, 233.597656 MB of memory in use. ENERGY: 3193000 3973.3949 20555.8629 14433.2993 245.9259 -203582.2467 2980.9301 0.0000 0.0000 52220.3430 -109172.4907 300.1110 -161392.8337 -108805.8304 299.5170 281.7034 312.7731 763525.8903 -1.9004 -1.8070 PRESSURE: 3193200 -25.7394 2.37395 10.6829 2.37349 146.41 -87.4457 10.6824 -87.4459 -357.643 GPRESSURE: 3193200 -29.8269 55.8855 67.4245 58.389 216.659 -60.4546 134.024 -85.6339 -347.768 PRESSAVG: 3193200 -34.1695 -28.4376 4.3854 -28.4375 26.6546 -41.6572 4.38538 -41.6573 6.8433 GPRESSAVG: 3193200 -34.0474 -30.3006 4.22678 -29.9633 26.5864 -41.3565 6.11151 -44.9611 6.50184 TIMING: 3193200 CPU: 9977.71, 0.00311525/step Wall: 9977.71, 0.00311525/step, 1.56351 hours remaining, 233.597656 MB of memory in use. ENERGY: 3193200 3986.0313 20561.2023 14428.3602 280.3310 -202969.3067 2395.2321 0.0000 0.0000 52118.2872 -109199.8624 299.5245 -161318.1496 -108836.1252 299.3213 -78.9910 -53.6452 763153.5341 -0.2239 -0.3197 PRESSURE: 3193400 -70.3555 118.871 58.3548 118.871 194.972 -4.3837 58.3548 -4.38424 115.834 GPRESSURE: 3193400 -17.688 113.011 57.5012 141.954 179.262 -48.5354 56.8213 58.4158 153.302 PRESSAVG: 3193400 -37.4817 -10.6351 47.0177 -10.6351 24.2268 38.2146 47.0176 38.2146 -0.000157695 GPRESSAVG: 3193400 -37.2636 -9.79079 44.5373 -10.4783 24.2307 39.0653 48.5188 39.2263 0.27285 TIMING: 3193400 CPU: 9978.33, 0.00312785/step Wall: 9978.33, 0.00312785/step, 1.56966 hours remaining, 233.597656 MB of memory in use. ENERGY: 3193400 3989.3177 20319.2952 14446.6407 268.8370 -203444.6113 3031.7628 0.0000 0.0000 52149.3198 -109239.4381 299.7029 -161388.7579 -108871.1754 299.1780 80.1502 104.9586 762974.0502 -4.4183 -4.2534 PRESSURE: 3193600 -378.414 68.7094 -49.4857 68.7094 238.726 240.224 -49.4853 240.225 117.064 GPRESSURE: 3193600 -283.994 -23.0407 -34.4574 91.069 195.397 146.693 -58.3955 247.991 131.852 PRESSAVG: 3193600 5.41577 21.9601 18.6296 21.96 -17.9548 -42.383 18.6296 -42.3829 -28.3661 GPRESSAVG: 3193600 5.9712 20.5467 21.307 21.3342 -19.8738 -42.728 17.199 -42.5352 -27.5056 TIMING: 3193600 CPU: 9978.96, 0.00311621/step Wall: 9978.96, 0.00311621/step, 1.56364 hours remaining, 233.597656 MB of memory in use. ENERGY: 3193600 3959.6191 20471.4647 14466.9082 251.7565 -203246.0661 2532.7103 0.0000 0.0000 52233.1231 -109330.4842 300.1845 -161563.6073 -108976.4957 299.4989 -7.5413 14.4182 759422.0316 -13.6350 -13.8027 PRESSURE: 3193800 36.1913 -151.442 176.586 -151.441 -255.735 59.2535 176.586 59.2526 118.917 GPRESSURE: 3193800 26.9362 -78.214 131.278 -136.943 -178.681 73.1438 223.38 -13.9036 154.734 PRESSAVG: 3193800 73.1979 -38.5475 -3.42418 -38.5475 -8.69493 13.9284 -3.42418 13.9285 8.47066 GPRESSAVG: 3193800 72.7362 -38.5868 -4.24914 -38.4383 -8.68539 12.222 -3.73711 15.6551 9.53155 TIMING: 3193800 CPU: 9979.58, 0.00309709/step Wall: 9979.58, 0.00309709/step, 1.55388 hours remaining, 233.597656 MB of memory in use. ENERGY: 3193800 4019.6177 20572.9748 14445.7858 254.3022 -203488.6454 2768.3045 0.0000 0.0000 52288.5839 -109139.0764 300.5032 -161427.6604 -108767.1322 299.9288 -33.5423 0.9966 760537.4587 24.3245 24.5275 PRESSURE: 3194000 34.3358 194.265 -107.853 194.265 276.356 -15.2231 -107.852 -15.2233 497.252 GPRESSURE: 3194000 93.3128 203.031 -41.0632 92.6793 275.512 -92.5069 -123.266 75.9463 506.232 PRESSAVG: 3194000 31.7777 -30.3674 9.73015 -30.3674 -30.738 -45.4192 9.73014 -45.4193 21.8246 GPRESSAVG: 3194000 31.9929 -29.5056 10.7827 -29.3354 -30.0993 -45.1444 11.5171 -46.9361 20.8016 TIMING: 3194000 CPU: 9980.2, 0.00311633/step Wall: 9980.2, 0.00311633/step, 1.56336 hours remaining, 233.597656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3194000 4019.6422 20649.2060 14468.2746 249.8769 -203439.7137 2796.4444 0.0000 0.0000 52054.0215 -109202.2482 299.1552 -161256.2697 -108842.1297 300.1586 269.3144 291.6857 759545.2961 7.6214 7.5651 PRESSURE: 3194200 -79.1686 116.018 -267.534 116.018 -71.1362 -169.848 -267.534 -169.848 240.945 GPRESSURE: 3194200 19.7685 84.8203 -278.843 157.655 -82.0123 -203.762 -228.242 -144.654 224.182 PRESSAVG: 3194200 16.1855 23.9792 -6.96542 23.9792 -6.61401 38.9113 -6.96542 38.9112 -31.2791 GPRESSAVG: 3194200 16.4955 24.6511 -9.40586 23.5735 -6.08002 38.8667 -8.09635 39.8483 -31.6833 TIMING: 3194200 CPU: 9980.82, 0.0031255/step Wall: 9980.82, 0.0031255/step, 1.56779 hours remaining, 233.597656 MB of memory in use. ENERGY: 3194200 3961.9951 20689.0673 14444.5807 249.6210 -203192.7974 2648.3043 0.0000 0.0000 51811.7941 -109387.4350 297.7631 -161199.2290 -109019.1363 299.6250 30.2134 53.9795 761560.4226 -7.2359 -7.0893 PRESSURE: 3194400 -21.0772 -8.09241 116.323 -8.09335 330.178 -169.864 116.323 -169.864 86.0513 GPRESSURE: 3194400 99.9894 42.231 134.638 -35.6998 275.501 -130.977 81.0187 -270.669 100.313 PRESSAVG: 3194400 -19.0678 -24.9169 -11.6596 -24.917 20.0237 18.4205 -11.6595 18.4205 17.714 GPRESSAVG: 3194400 -20.2708 -23.0298 -10.5448 -26.1859 20.9169 19.8882 -10.5965 18.8989 18.5877 TIMING: 3194400 CPU: 9981.45, 0.00311849/step Wall: 9981.45, 0.00311849/step, 1.5641 hours remaining, 233.597656 MB of memory in use. ENERGY: 3194400 3959.1913 20607.1454 14396.2230 231.0305 -203211.1491 2450.4853 0.0000 0.0000 52142.5164 -109424.5573 299.6638 -161567.0736 -109067.2308 298.8196 131.7172 158.6009 761067.3042 6.2233 6.4113 PRESSURE: 3194600 95.3893 -45.9156 -213.113 -45.9154 -83.6968 -27.3008 -213.113 -27.3002 -344.61 GPRESSURE: 3194600 115.059 8.41618 -140.317 -154.374 -80.0615 21.198 -346.952 -34.6002 -283.913 PRESSAVG: 3194600 0.746318 39.5839 18.9163 39.5838 -23.8312 25.5248 18.9163 25.5248 2.51149 GPRESSAVG: 3194600 0.918215 38.2648 18.8072 40.2836 -22.9919 24.8311 16.8423 23.5891 1.60193 TIMING: 3194600 CPU: 9982.07, 0.00311526/step Wall: 9982.07, 0.00311526/step, 1.5623 hours remaining, 233.597656 MB of memory in use. ENERGY: 3194600 3992.1973 20565.2270 14436.0854 251.9200 -203384.9601 2611.3499 0.0000 0.0000 52126.6767 -109401.5037 299.5727 -161528.1804 -109035.3700 298.9469 -110.9726 -82.9717 761015.4391 -6.8578 -6.8239 PRESSURE: 3194800 69.9688 -56.3565 97.6797 -56.3571 -8.04897 -109.779 97.68 -109.78 -60.1626 GPRESSURE: 3194800 52.2773 51.8153 173.065 -91.4174 12.303 -123.919 99.1344 -90.6959 15.8124 PRESSAVG: 3194800 -29.9095 42.2693 -50.3296 42.2694 43.1292 -36.6974 -50.3296 -36.6975 -12.6593 GPRESSAVG: 3194800 -29.0312 44.9365 -51.0119 39.5765 41.1596 -37.1091 -49.1804 -35.5966 -12.1016 TIMING: 3194800 CPU: 9982.69, 0.00311127/step Wall: 9982.69, 0.00311127/step, 1.56013 hours remaining, 233.597656 MB of memory in use. ENERGY: 3194800 4068.4017 20359.7325 14473.6623 275.8565 -203513.6875 2950.3667 0.0000 0.0000 52217.7700 -109167.8978 300.0962 -161385.6678 -108809.5333 299.7314 0.5858 26.7976 761167.6280 0.1868 0.0089 PRESSURE: 3195000 61.5012 -10.4499 -78.7681 -10.4494 -11.0523 297.168 -78.7677 297.167 45.6801 GPRESSURE: 3195000 96.9223 85.56 -62.4908 -54.0908 60.1436 260.959 -22.9287 270.882 40.5749 PRESSAVG: 3195000 -40.4321 43.2547 32.2829 43.2547 22.7466 26.1398 32.2829 26.1398 14.2186 GPRESSAVG: 3195000 -40.6102 40.8115 32.8063 45.3513 22.7236 28.0067 32.6498 25.3363 14.6472 TIMING: 3195000 CPU: 9983.32, 0.00311106/step Wall: 9983.32, 0.00311106/step, 1.55985 hours remaining, 233.597656 MB of memory in use. ENERGY: 3195000 4043.9687 20554.0279 14420.5176 250.5233 -203097.2540 2700.1722 0.0000 0.0000 51764.7052 -109363.3391 297.4925 -161128.0443 -109010.4381 299.4330 32.0430 65.8803 761157.5266 -1.1556 -1.0798 PRESSURE: 3195200 -148.206 145.318 19.8727 145.317 18.8666 144.611 19.8723 144.612 -114.873 GPRESSURE: 3195200 -197.311 115.618 -15.5671 181.689 108.232 121.42 -95.2977 148.778 -81.2476 PRESSAVG: 3195200 -22.8751 13.9385 31.8282 13.9385 6.88773 30.1289 31.8282 30.1289 -1.07603 GPRESSAVG: 3195200 -22.7601 13.5824 30.6679 15.1379 8.1616 28.011 32.6869 29.9793 -1.94989 TIMING: 3195200 CPU: 9983.94, 0.00313145/step Wall: 9983.94, 0.00313145/step, 1.5699 hours remaining, 233.597656 MB of memory in use. ENERGY: 3195200 3966.3971 20486.0244 14461.4021 239.6674 -203214.8908 2582.5829 0.0000 0.0000 51940.5928 -109538.2240 298.5033 -161478.8168 -109178.0445 298.5528 -81.4040 -56.7755 760539.2974 -5.6878 -5.5161 PRESSURE: 3195400 -114.8 29.7838 -201.953 29.7831 -64.0144 73.3221 -201.951 73.3227 64.5608 GPRESSURE: 3195400 -129.55 -55.8128 -259.499 -125.177 16.5093 46.1905 -147.826 -6.00081 70.3964 PRESSAVG: 3195400 -24.2363 4.4872 11.8099 4.48729 32.379 13.0129 11.8098 13.0129 32.5327 GPRESSAVG: 3195400 -25.978 4.35003 10.351 4.52403 33.254 13.0217 10.7672 13.1932 32.3793 TIMING: 3195400 CPU: 9984.56, 0.00311017/step Wall: 9984.56, 0.00311017/step, 1.55906 hours remaining, 233.597656 MB of memory in use. ENERGY: 3195400 3968.7546 20408.2686 14404.7035 261.5737 -203028.1203 2400.4059 0.0000 0.0000 52137.2885 -109447.1254 299.6337 -161584.4140 -109080.1694 298.2414 -38.0845 -14.2147 763428.0217 13.5585 13.2184 PRESSURE: 3195600 95.577 34.8161 186.072 34.8161 -266.937 16.5358 186.073 16.5342 111.28 GPRESSURE: 3195600 117.795 122.097 335.166 161.404 -206.294 153.605 177.25 35.7527 111.439 PRESSAVG: 3195600 21.2798 33.5773 8.92106 33.5773 -4.95791 8.78754 8.92105 8.78754 -6.04169 GPRESSAVG: 3195600 23.2805 33.8943 12.5218 32.5444 -6.31453 10.7121 8.06959 8.69133 -6.77523 TIMING: 3195600 CPU: 9985.19, 0.0031093/step Wall: 9985.19, 0.0031093/step, 1.55845 hours remaining, 233.597656 MB of memory in use. ENERGY: 3195600 3870.9215 20597.9326 14452.9697 225.7467 -202857.5894 2394.8776 0.0000 0.0000 51883.7654 -109431.3759 298.1767 -161315.1413 -109080.3156 298.7724 -20.0267 7.6469 762312.9981 3.4267 3.3969 PRESSURE: 3195800 44.7941 -32.1886 232.554 -32.1892 267.03 -46.5045 232.554 -46.5056 126.922 GPRESSURE: 3195800 52.0292 27.6529 253.144 -104.315 255.825 -88.4721 215.854 -178.848 209.018 PRESSAVG: 3195800 -11.5954 12.5499 -0.0350713 12.5499 52.3398 -2.08295 -0.0351653 -2.08295 -12.9777 GPRESSAVG: 3195800 -12.877 13.4509 -0.67844 11.645 53.1448 -3.50634 1.23386 -0.47913 -12.6067 TIMING: 3195800 CPU: 9985.81, 0.00311637/step Wall: 9985.81, 0.00311637/step, 1.56182 hours remaining, 233.597656 MB of memory in use. ENERGY: 3195800 3911.2752 20623.3388 14420.0192 245.8046 -203527.6273 2877.5339 0.0000 0.0000 51969.6317 -109480.0239 298.6702 -161449.6556 -109115.3270 298.6666 146.2487 172.2907 761821.1622 9.2556 9.2204 PRESSURE: 3196000 -120.271 317.082 -66.2145 317.082 314.288 71.2326 -66.2145 71.2327 264.23 GPRESSURE: 3196000 -14.8878 261.695 -109.577 349.594 337.445 116.446 11.537 61.4193 209.844 PRESSAVG: 3196000 -91.3152 59.5019 -27.4639 59.5019 90.5827 46.3028 -27.4639 46.3028 -16.8835 GPRESSAVG: 3196000 -90.5404 58.9287 -26.2641 59.9115 89.0464 47.5972 -29.5205 45.561 -16.4497 TIMING: 3196000 CPU: 9986.43, 0.00313001/step Wall: 9986.43, 0.00313001/step, 1.56848 hours remaining, 233.597656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3196000 4014.5353 20481.2232 14446.4523 239.3025 -203297.2946 3081.0629 0.0000 0.0000 51746.4992 -109288.2193 297.3878 -161034.7185 -108927.7091 298.9312 152.7487 177.4672 762499.2636 -5.8720 -5.9812 PRESSURE: 3196200 -115.436 -51.1217 -108.705 -51.1222 -80.8641 -143.734 -108.705 -143.735 -218.608 GPRESSURE: 3196200 -85.18 -43.5534 -139.155 -88.1914 -25.4563 -62.1901 -63.7315 -9.51758 -210.681 PRESSAVG: 3196200 37.5841 26.2373 -24.6155 26.2374 -33.3892 -18.5945 -24.6155 -18.5945 -29.3723 GPRESSAVG: 3196200 36.5376 26.0528 -25.8295 25.0644 -32.9484 -17.5882 -24.3258 -19.4363 -29.0142 TIMING: 3196200 CPU: 9987.06, 0.00314226/step Wall: 9987.06, 0.00314226/step, 1.57445 hours remaining, 233.597656 MB of memory in use. ENERGY: 3196200 3988.2561 20570.3294 14373.3950 241.5843 -203258.9853 2947.8611 0.0000 0.0000 51973.5511 -109164.0084 298.6927 -161137.5594 -108802.4463 299.3592 -138.3027 -107.1058 763157.8677 -8.3925 -8.4750 LDB: ============= START OF LOAD BALANCING ============== 9999.54 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9999.54 LDB: =============== DONE WITH MIGRATION ================ 9999.55 LDB: ============= START OF LOAD BALANCING ============== 9999.86 LDB: Largest compute 7007 load 0.030791 is 15.8% of average load 0.195085 LDB: Average compute 0.004367 is 2.2% of average load 0.195085 LDB: TIME 9999.86 LOAD: AVG 0.195085 MAX 0.215759 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.539 MB LDB: TIME 9999.86 LOAD: AVG 0.195085 MAX 0.215759 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.539 MB LDB: TIME 9999.86 LOAD: AVG 0.195085 MAX 0.215759 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.539 MB LDB: ============== END OF LOAD BALANCING =============== 9999.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9999.87 PRESSURE: 3196400 45.662 -164.183 14.2566 -164.183 -130.922 -117.638 14.256 -117.639 266.716 GPRESSURE: 3196400 79.212 -19.3522 69.1929 21.5425 -68.3069 -101.403 -40.6811 -139.496 274.028 PRESSAVG: 3196400 25.7462 10.6597 -28.2744 10.6597 -25.8905 -6.84572 -28.2743 -6.84574 16.1122 GPRESSAVG: 3196400 25.9152 9.81368 -28.1445 13.8193 -25.9679 -10.2596 -27.1047 -5.60704 15.913 TIMING: 3196400 CPU: 9987.7, 0.00320961/step Wall: 9987.7, 0.00320961/step, 1.60801 hours remaining, 235.589844 MB of memory in use. ENERGY: 3196400 4023.0478 20464.1719 14510.6660 250.9517 -203584.9601 2980.2034 0.0000 0.0000 52286.2553 -109069.6640 300.4898 -161355.9193 -108709.7759 300.0205 60.4856 94.9778 762755.1885 5.3226 5.2868 PRESSURE: 3196600 -115.037 101.291 168.501 101.291 -125.211 -13.6698 168.501 -13.6692 -465.661 GPRESSURE: 3196600 -108.687 -32.1727 175.473 68.6857 -37.7786 84.5307 93.912 -85.7705 -484.861 PRESSAVG: 3196600 -64.0381 51.3809 -0.687414 51.3809 43.0598 -27.6955 -0.68744 -27.6955 6.29168 GPRESSAVG: 3196600 -63.3696 51.2559 -0.141147 51.2202 43.2787 -26.1412 -1.10481 -28.8101 5.08085 TIMING: 3196600 CPU: 9988.33, 0.00314739/step Wall: 9988.33, 0.00314739/step, 1.57667 hours remaining, 235.984375 MB of memory in use. ENERGY: 3196600 4127.8989 20468.0395 14494.9004 233.6401 -202845.7394 2463.7877 0.0000 0.0000 52243.1224 -108814.3504 300.2419 -161057.4728 -108454.3662 299.6974 -235.3031 -210.4422 763908.6909 -4.8955 -5.0033 PRESSURE: 3196800 -381.536 -98.6468 -28.938 -98.6474 -159.845 -216.189 -28.9381 -216.189 -496.43 GPRESSURE: 3196800 -295.449 -136.865 35.6863 -122.949 -262.72 -316.528 -137.747 -170.426 -381.88 PRESSAVG: 3196800 -19.3829 50.8507 22.6998 50.8507 -20.9491 -1.67398 22.6997 -1.67398 -2.39992 GPRESSAVG: 3196800 -20.6678 52.3259 21.6729 50.6206 -21.8575 -1.00699 22.747 -2.14248 -0.685306 TIMING: 3196800 CPU: 9988.96, 0.00315139/step Wall: 9988.96, 0.00315139/step, 1.5785 hours remaining, 235.984375 MB of memory in use. ENERGY: 3196800 4097.7455 20454.3017 14544.9037 235.5171 -202580.2945 2421.0877 0.0000 0.0000 52260.1533 -108566.5854 300.3398 -160826.7387 -108214.2620 300.6316 -345.9372 -313.3498 765808.4226 -14.2440 -14.4035 PRESSURE: 3197000 -219.642 5.23623 -25.5951 5.23595 -119.598 -248.112 -25.5952 -248.111 -143.655 GPRESSURE: 3197000 -222.997 5.34937 -57.0865 -108.487 -95.7686 -175.732 73.1162 -182.892 -76.3507 PRESSAVG: 3197000 -60.2633 12.0693 2.75046 12.0694 33.1979 12.7931 2.75045 12.7931 6.66562 GPRESSAVG: 3197000 -60.5425 9.38846 1.55034 12.576 32.9709 12.9716 3.39806 12.9591 6.84712 TIMING: 3197000 CPU: 9989.59, 0.00313996/step Wall: 9989.59, 0.00313996/step, 1.5726 hours remaining, 235.984375 MB of memory in use. ENERGY: 3197000 4030.2950 20517.2289 14465.5057 271.9925 -202959.3135 2632.9419 0.0000 0.0000 52377.9173 -108663.4321 301.0166 -161041.3494 -108302.6886 300.4066 -160.9648 -131.7055 764800.2683 -6.7999 -6.9082 PRESSURE: 3197200 -195.278 37.6023 42.6702 37.6022 70.3861 172.871 42.6708 172.87 189.955 GPRESSURE: 3197200 -99.8371 -9.8683 27.5948 72.2461 120.515 74.6364 114.143 155.747 131.252 PRESSAVG: 3197200 -30.3266 47.6778 12.8874 47.6778 58.0028 5.78473 12.8873 5.78483 -7.68187 GPRESSAVG: 3197200 -29.6729 49.7423 13.2245 46.6095 58.4224 4.55442 11.4433 4.18729 -9.86133 TIMING: 3197200 CPU: 9990.22, 0.00312369/step Wall: 9990.22, 0.00312369/step, 1.56427 hours remaining, 235.984375 MB of memory in use. ENERGY: 3197200 4034.2984 20497.0473 14462.9831 267.6769 -202978.7231 2759.3692 0.0000 0.0000 52196.2602 -108761.0881 299.9726 -160957.3483 -108395.5626 300.6296 21.6875 50.6435 763821.7521 6.6648 6.2961 PRESSURE: 3197400 -128.871 85.2802 -76.3879 85.2803 -117.211 -297.681 -76.3879 -297.682 204.342 GPRESSURE: 3197400 -127.396 73.4565 -23.6177 33.0251 -44.4819 -354.816 -32.4667 -170.846 202.201 PRESSAVG: 3197400 -44.4167 -2.93436 -23.8603 -2.93443 48.75 -0.59751 -23.8603 -0.59741 -2.0987 GPRESSAVG: 3197400 -43.9332 -2.74415 -22.1402 -3.47132 48.0581 -0.189509 -21.4429 2.26788 -2.14823 TIMING: 3197400 CPU: 9990.84, 0.00312763/step Wall: 9990.84, 0.00312763/step, 1.56608 hours remaining, 235.984375 MB of memory in use. ENERGY: 3197400 4005.9473 20565.9902 14472.5271 251.1063 -202890.8663 2591.7526 0.0000 0.0000 52006.7356 -108996.8072 298.8834 -161003.5428 -108644.3391 299.6099 -13.9133 10.1076 763798.5825 0.7449 0.6589 PRESSURE: 3197600 -249.908 136.545 -62.3804 136.545 -11.3666 136.7 -62.3804 136.699 -136.104 GPRESSURE: 3197600 -232.037 116.164 -46.7966 49.6904 75.2762 145.317 -106.819 53.2073 -176.572 PRESSAVG: 3197600 23.8258 35.2678 4.15384 35.2677 33.1168 36.0588 4.15377 36.0589 -8.47529 GPRESSAVG: 3197600 22.3404 35.9464 2.98475 35.0658 33.4672 36.8259 3.42437 32.3021 -7.4777 TIMING: 3197600 CPU: 9991.47, 0.00314139/step Wall: 9991.47, 0.00314139/step, 1.57279 hours remaining, 235.984375 MB of memory in use. ENERGY: 3197600 4031.0632 20449.1510 14418.6462 247.6505 -202971.1477 2568.3448 0.0000 0.0000 52248.8013 -109007.4907 300.2746 -161256.2920 -108639.8394 299.6464 -132.4595 -111.1109 762924.3137 16.1558 16.1100 PRESSURE: 3197800 -10.2895 -197.299 93.5631 -197.299 306.681 -222.822 93.5634 -222.821 -163.785 GPRESSURE: 3197800 44.0403 -167.052 83.941 -90.5826 267.56 -157.186 -20.61 -136.167 -94.383 PRESSAVG: 3197800 -31.8755 67.8341 -2.06236 67.8341 27.6989 -1.53257 -2.06241 -1.53259 32.3453 GPRESSAVG: 3197800 -31.2738 65.9034 -2.06883 70.1044 27.7735 -1.62675 -2.31111 0.672656 32.1477 TIMING: 3197800 CPU: 9992.1, 0.00314097/step Wall: 9992.1, 0.00314097/step, 1.5724 hours remaining, 235.984375 MB of memory in use. ENERGY: 3197800 3978.8756 20566.3058 14446.3146 248.5474 -203045.3730 2664.8422 0.0000 0.0000 52195.9448 -108944.5426 299.9708 -161140.4874 -108588.8440 299.9252 44.2023 72.4059 763960.4593 9.3896 9.5491 PRESSURE: 3198000 183.208 -93.7782 229.571 -93.7789 103.455 -45.3123 229.571 -45.3125 -45.3407 GPRESSURE: 3198000 236.487 48.3889 227.79 -106.79 77.1867 4.75935 233.927 -134.907 -4.10101 PRESSAVG: 3198000 -19.8791 35.0241 42.5783 35.0241 -7.94557 1.4318 42.5782 1.4318 -0.302621 GPRESSAVG: 3198000 -19.7787 36.4728 42.8632 31.6674 -7.56672 1.49842 42.0149 0.886025 -0.500026 TIMING: 3198000 CPU: 9992.73, 0.00313111/step Wall: 9992.73, 0.00313111/step, 1.5673 hours remaining, 235.984375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3198000 4039.7736 20614.9600 14445.9077 242.3075 -203548.5086 3036.1545 0.0000 0.0000 52277.3047 -108892.1006 300.4384 -161169.4053 -108526.5820 300.0243 80.4409 103.1910 762649.9591 -9.3758 -9.2818 PRESSURE: 3198200 19.5332 120.543 -50.6012 120.545 43.9353 -59.4816 -50.6022 -59.481 -157.456 GPRESSURE: 3198200 -41.3128 101.737 -7.64639 175.078 102.798 -44.2201 39.9043 -74.7109 -66.2836 PRESSAVG: 3198200 -1.28866 -40.9565 66.447 -40.9565 25.1176 -6.69659 66.4471 -6.69659 -7.07178 GPRESSAVG: 3198200 -1.50129 -41.9569 66.0474 -37.8228 24.0601 -8.33438 68.6166 -5.86814 -6.25347 TIMING: 3198200 CPU: 9993.35, 0.00314628/step Wall: 9993.35, 0.00314628/step, 1.57471 hours remaining, 235.984375 MB of memory in use. ENERGY: 3198200 3927.6566 20691.0389 14467.0599 266.1072 -203152.5830 2679.0045 0.0000 0.0000 52177.5795 -108944.1365 299.8653 -161121.7160 -108581.3503 300.1174 -31.3293 -1.5995 763424.3124 5.5857 5.4351 PRESSURE: 3198400 -6.7468 -156.407 212.403 -156.407 80.973 -234.652 212.403 -234.651 -112.587 GPRESSURE: 3198400 44.3839 -184.113 183.999 -171.534 112.846 -156.524 266.364 -249.605 -92.277 PRESSAVG: 3198400 -0.73153 -35.9572 15.5049 -35.9572 -14.0474 13.0689 15.5049 13.0688 6.41898 GPRESSAVG: 3198400 -0.848551 -37.6527 17.012 -35.9115 -13.6748 14.177 14.7262 13.1878 5.85739 TIMING: 3198400 CPU: 9993.98, 0.00314529/step Wall: 9993.98, 0.00314529/step, 1.57404 hours remaining, 235.984375 MB of memory in use. ENERGY: 3198400 4010.6651 20520.0957 14475.9543 231.1386 -202975.0626 2674.6062 0.0000 0.0000 52155.4963 -108907.1065 299.7384 -161062.6027 -108540.7498 300.1335 -12.7868 21.6510 762247.8796 -2.7866 -2.8886 PRESSURE: 3198600 -201.551 70.6558 65.7167 70.6552 -202.901 76.3413 65.7171 76.3408 -58.0439 GPRESSURE: 3198600 -120.327 117.266 47.5779 25.6959 -218.257 67.5406 30.9876 112.898 -27.5416 PRESSAVG: 3198600 -1.57084 -5.43716 46.5764 -5.43714 -30.1682 41.084 46.5764 41.0839 9.31303 GPRESSAVG: 3198600 -1.21354 -4.10777 45.6589 -6.95026 -30.3781 40.44 44.9073 40.2889 8.92962 TIMING: 3198600 CPU: 9994.61, 0.00314615/step Wall: 9994.61, 0.00314615/step, 1.5743 hours remaining, 235.984375 MB of memory in use. ENERGY: 3198600 4071.2587 20535.0553 14473.0810 263.2821 -203102.5766 2634.9504 0.0000 0.0000 52189.3630 -108935.5861 299.9330 -161124.9491 -108572.6587 299.7967 -154.1653 -122.0420 762503.7679 -7.4753 -7.5540 PRESSURE: 3198800 428.287 -4.82628 -155.029 -4.82601 -111.348 22.7173 -155.029 22.717 387.97 GPRESSURE: 3198800 408.175 -28.1193 -91.0859 7.00744 48.4076 30.2566 -182.871 69.5474 333.686 PRESSAVG: 3198800 -57.4408 22.7882 -5.86282 22.7882 27.1957 84.3776 -5.8629 84.3775 -0.748017 GPRESSAVG: 3198800 -59.2647 23.2822 -5.35547 23.9407 27.9102 84.1538 -5.45453 86.6465 0.644014 TIMING: 3198800 CPU: 9995.24, 0.00313622/step Wall: 9995.24, 0.00313622/step, 1.56916 hours remaining, 235.984375 MB of memory in use. ENERGY: 3198800 3858.4530 20524.0099 14465.6158 238.6733 -203041.3061 2633.7571 0.0000 0.0000 52222.0884 -109098.7086 300.1211 -161320.7969 -108734.6260 299.4001 234.9697 263.4231 764425.8290 -10.3310 -10.2368 PRESSURE: 3199000 -308.612 216.955 39.9046 216.955 -90.2454 -83.374 39.9039 -83.3736 -290.41 GPRESSURE: 3199000 -291.038 207.113 87.2304 146.576 -105.437 -102.875 86.2275 -134.154 -213.35 PRESSAVG: 3199000 1.85188 28.8229 -18.7048 28.8229 8.07382 15.7305 -18.7047 15.7306 10.0846 GPRESSAVG: 3199000 2.80533 29.8795 -19.2322 27.0096 8.74321 15.8164 -17.0678 13.1486 8.46603 TIMING: 3199000 CPU: 9995.87, 0.00312338/step Wall: 9995.87, 0.00312338/step, 1.56256 hours remaining, 235.984375 MB of memory in use. ENERGY: 3199000 3966.7706 20652.1209 14510.8914 244.7465 -203145.4751 2462.6130 0.0000 0.0000 52314.6211 -108993.7116 300.6528 -161308.3327 -108628.5890 300.0969 -229.7558 -203.2753 762228.0620 6.6701 6.6715 PRESSURE: 3199200 -132.721 -46.1609 116.088 -46.1611 -353.975 125.81 116.089 125.81 -110.203 GPRESSURE: 3199200 -156.606 -13.3069 156.901 35.7686 -220.209 43.1412 37.2525 84.0341 -152.478 PRESSAVG: 3199200 -32.8352 53.4248 24.6534 53.4248 7.66527 54.2384 24.6535 54.2384 -13.8635 GPRESSAVG: 3199200 -31.597 52.3156 24.8037 55.1642 4.84987 53.3735 23.213 56.687 -13.1698 TIMING: 3199200 CPU: 9996.49, 0.00314607/step Wall: 9996.49, 0.00314607/step, 1.57373 hours remaining, 235.984375 MB of memory in use. ENERGY: 3199200 3938.6380 20567.0097 14543.0390 251.4258 -203224.1161 2643.7848 0.0000 0.0000 52271.8182 -109008.4007 300.4069 -161280.2188 -108635.2823 299.9909 -198.9664 -176.4312 762780.9365 -13.0112 -13.3057 PRESSURE: 3199400 308.253 -153.278 52.527 -153.277 -35.7948 -244.221 52.5272 -244.221 210.726 GPRESSURE: 3199400 357.965 -327.651 120.466 -119.225 4.45703 -264.111 60.0963 -131.23 189.703 PRESSAVG: 3199400 25.7839 10.1249 46.3137 10.1249 8.37282 -29.2318 46.3138 -29.2318 -9.26198 GPRESSAVG: 3199400 25.5399 9.7501 46.7903 10.2193 9.42244 -28.6007 46.4999 -32.9344 -10.2465 TIMING: 3199400 CPU: 9997.12, 0.00311904/step Wall: 9997.12, 0.00311904/step, 1.56004 hours remaining, 235.984375 MB of memory in use. ENERGY: 3199400 3956.7035 20461.9185 14525.7166 247.8573 -203215.8460 2864.9241 0.0000 0.0000 51973.4504 -109185.2756 298.6921 -161158.7260 -108820.8210 299.8109 161.0616 184.0418 763179.2509 8.2983 8.2386 PRESSURE: 3199600 16.0101 -28.398 -1.05089 -28.3982 -135.631 143.995 -1.05109 143.996 8.15524 GPRESSURE: 3199600 17.379 -99.0843 -79.7954 -10.7486 -63.8857 221.809 2.1558 62.5346 29.6501 PRESSAVG: 3199600 -27.4264 76.3107 -28.5485 76.3107 36.4581 -14.9105 -28.5485 -14.9104 -6.97103 GPRESSAVG: 3199600 -27.3468 77.028 -29.0034 75.3586 36.4324 -13.8713 -27.8817 -13.8871 -6.91466 TIMING: 3199600 CPU: 9997.74, 0.00312026/step Wall: 9997.74, 0.00312026/step, 1.56048 hours remaining, 235.984375 MB of memory in use. ENERGY: 3199600 4013.2845 20458.6355 14487.7933 239.1645 -203342.3832 2763.3808 0.0000 0.0000 52065.9487 -109314.1759 299.2237 -161380.1245 -108951.0254 298.8802 -37.1552 -5.6189 761370.7513 0.6869 0.7236 PRESSURE: 3199800 63.4261 22.0709 -84.6233 22.0702 -30.5785 45.5014 -84.6231 45.5022 283.984 GPRESSURE: 3199800 127.914 -75.3578 -99.6019 -13.3532 -42.0376 19.0865 -54.7434 -2.19148 320.433 PRESSAVG: 3199800 -78.3022 -6.77715 -38.9243 -6.77715 51.1445 -18.1269 -38.9243 -18.1269 -3.18302 GPRESSAVG: 3199800 -77.7778 -5.37593 -36.4529 -6.65933 50.5128 -18.3761 -41.2853 -18.3879 -3.25129 TIMING: 3199800 CPU: 9998.37, 0.00313495/step Wall: 9998.37, 0.00313495/step, 1.56765 hours remaining, 235.984375 MB of memory in use. ENERGY: 3199800 3992.8625 20205.4989 14439.9413 217.8451 -203391.5246 2789.1212 0.0000 0.0000 52189.5993 -109556.6564 299.9343 -161746.2557 -109184.9092 299.1527 105.6105 135.4367 760840.8980 -10.1136 -10.1721 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 3200000 WRITING COORDINATES TO RESTART FILE AT STEP 3200000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3200000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3200000 -239.904 239.26 131.131 239.259 -299.749 -11.7822 131.132 -11.7816 161.349 GPRESSURE: 3200000 -115.426 237.588 188.047 263.011 -314.428 -21.738 159.217 -124.413 141.808 PRESSAVG: 3200000 -20.8511 -0.841588 22.5061 -0.841567 25.4975 -47.4417 22.5062 -47.4416 8.09584 GPRESSAVG: 3200000 -22.934 -1.8551 19.5924 0.507141 27.0947 -48.5181 24.847 -46.7269 8.68428 TIMING: 3200000 CPU: 9999.02, 0.0032637/step Wall: 9999.02, 0.0032637/step, 1.63185 hours remaining, 235.984375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3200000 3998.2972 20448.6166 14427.4316 244.9358 -203145.0354 2680.8341 0.0000 0.0000 51764.0176 -109580.9024 297.4885 -161344.9200 -109233.6335 298.6634 -126.1015 -96.0155 762796.3728 4.2474 4.2817 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3200000 PRESSURE: 3200200 -0.85554 -87.5785 -23.3988 -87.5775 -90.0127 -96.7033 -23.3983 -96.7032 467.159 GPRESSURE: 3200200 18.6596 -15.3992 14.433 -101.86 -70.7294 -24.5411 -107.865 -167.601 507.025 PRESSAVG: 3200200 -23.831 6.29717 4.60738 6.29721 -2.45329 1.15819 4.60737 1.15821 -13.6988 GPRESSAVG: 3200200 -21.2183 6.96467 5.0681 6.38474 -3.54432 2.24189 4.52139 1.35715 -15.4623 TIMING: 3200200 CPU: 9999.65, 0.00314259/step Wall: 9999.65, 0.00314259/step, 1.57112 hours remaining, 235.984375 MB of memory in use. ENERGY: 3200200 4023.8255 20500.7254 14506.8948 255.8898 -203320.6054 2540.3509 0.0000 0.0000 51986.3931 -109506.5260 298.7665 -161492.9191 -109147.6322 298.5290 125.4302 151.6517 761230.4145 -13.3277 -13.4083 LDB: ============= START OF LOAD BALANCING ============== 10012.1 LDB: ============== END OF LOAD BALANCING =============== 10012.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10012.1 LDB: ============= START OF LOAD BALANCING ============== 10012.4 LDB: Largest compute 7007 load 0.032661 is 16.7% of average load 0.195129 LDB: Average compute 0.004379 is 2.2% of average load 0.195129 LDB: TIME 10012.4 LOAD: AVG 0.195129 MAX 0.221727 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.309 MB LDB: TIME 10012.5 LOAD: AVG 0.195129 MAX 0.221727 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.309 MB LDB: TIME 10012.5 LOAD: AVG 0.195129 MAX 0.217086 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.309 MB LDB: ============== END OF LOAD BALANCING =============== 10012.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10012.5 PRESSURE: 3200400 129.886 95.6981 281.077 95.6975 54.6763 -93.166 281.077 -93.1654 177.677 GPRESSURE: 3200400 221.291 126.144 261.778 115.057 109.39 -44.2279 270.793 -208.252 127.325 PRESSAVG: 3200400 -16.4136 39.5541 79.588 39.5541 22.5608 -22.7971 79.588 -22.7972 3.55707 GPRESSAVG: 3200400 -19.0621 40.7427 79.8215 39.0166 23.1214 -22.5313 77.882 -22.4496 5.45753 TIMING: 3200400 CPU: 10000.3, 0.00320615/step Wall: 10000.3, 0.00320615/step, 1.60272 hours remaining, 233.335938 MB of memory in use. ENERGY: 3200400 3955.9295 20479.6213 14475.5606 261.1804 -203271.9941 2613.1195 0.0000 0.0000 51911.9378 -109574.6452 298.3386 -161486.5829 -109217.9829 298.9072 120.7466 152.6687 761330.4039 3.2348 3.1723 PRESSURE: 3200600 -235.418 -20.9139 -125.006 -20.9144 -404.186 118.368 -125.006 118.368 463.952 GPRESSURE: 3200600 -237.678 -28.2042 -164.592 70.1894 -328.339 201.968 -231.91 -19.6416 449.842 PRESSAVG: 3200600 1.50641 33.1308 -22.9137 33.1308 24.6164 -27.4165 -22.9137 -27.4166 0.032435 GPRESSAVG: 3200600 4.09963 31.8023 -21.9449 32.172 23.4055 -28.1513 -23.7934 -28.4445 -1.04332 TIMING: 3200600 CPU: 10000.9, 0.00312514/step Wall: 10000.9, 0.00312514/step, 1.56205 hours remaining, 233.335938 MB of memory in use. ENERGY: 3200600 4024.7021 20419.1641 14516.9022 248.1861 -203530.9243 2893.7898 0.0000 0.0000 51864.1480 -109564.0321 298.0640 -161428.1800 -109210.8992 299.1294 -58.5506 -38.7250 761902.0317 8.7184 8.8206 PRESSURE: 3200800 -185.156 -96.7672 -151.832 -96.7664 37.1343 -298.391 -151.832 -298.391 -147.911 GPRESSURE: 3200800 -204.637 -109.618 -151.41 -87.4016 105.789 -240.552 -37.4689 -269.567 -121.36 PRESSAVG: 3200800 1.56827 63.9747 10.0587 63.9747 29.5158 26.4558 10.0586 26.4558 -7.09594 GPRESSAVG: 3200800 0.224261 63.5395 8.79502 64.5163 30.4066 27.3855 11.3822 25.2758 -6.93604 TIMING: 3200800 CPU: 10001.5, 0.00313591/step Wall: 10001.5, 0.00313591/step, 1.56726 hours remaining, 233.335938 MB of memory in use. ENERGY: 3200800 3991.3308 20493.1292 14477.4082 250.1125 -203507.7132 2920.4214 0.0000 0.0000 52059.0803 -109316.2308 299.1842 -161375.3111 -108961.8771 298.7328 -98.6444 -73.4026 762515.2609 7.9960 7.8983 PRESSURE: 3201000 150.965 81.84 -103.752 81.8396 176.761 309.976 -103.752 309.976 171.374 GPRESSURE: 3201000 292.872 52.1649 -106.321 159.856 169.408 161.919 -19.0614 300.064 132.342 PRESSAVG: 3201000 -21.096 32.5704 -30.0939 32.5704 32.0478 -6.91333 -30.0939 -6.91323 -17.67 GPRESSAVG: 3201000 -19.7154 32.6617 -28.5047 30.8582 31.1466 -8.7089 -28.608 -6.66201 -17.5978 TIMING: 3201000 CPU: 10002.2, 0.00311647/step Wall: 10002.2, 0.00311647/step, 1.55737 hours remaining, 233.335938 MB of memory in use. ENERGY: 3201000 4015.8776 20522.9450 14515.4287 257.9614 -203928.1676 3068.1419 0.0000 0.0000 52132.4305 -109415.3826 299.6058 -161547.8131 -109052.4541 299.0575 166.3667 198.2076 762097.6384 -2.2394 -2.0556 PRESSURE: 3201200 -101.802 -17.3619 -37.1468 -17.3623 -177.861 22.1737 -37.1468 22.1734 -120.74 GPRESSURE: 3201200 -78.8364 86.1209 -38.6329 -96.6177 -186.117 96.4298 166.94 25.8849 -33.6162 PRESSAVG: 3201200 16.4579 42.7599 6.2226 42.76 32.48 -13.3994 6.22262 -13.3994 10.2725 GPRESSAVG: 3201200 14.726 43.6432 5.17651 42.0561 33.1045 -11.6558 5.79461 -12.1229 10.6523 TIMING: 3201200 CPU: 10002.8, 0.00313393/step Wall: 10002.8, 0.00313393/step, 1.56592 hours remaining, 233.335938 MB of memory in use. ENERGY: 3201200 4095.7975 20459.7117 14429.2946 244.6453 -203428.8022 2800.2859 0.0000 0.0000 52012.0200 -109387.0474 298.9138 -161399.0674 -109019.0718 298.5344 -133.4679 -99.5232 762473.5976 19.7368 19.4943 PRESSURE: 3201400 -173.395 -41.1426 38.2451 -41.1419 -81.7613 184.703 38.2462 184.705 8.22903 GPRESSURE: 3201400 -165.415 -28.5989 -24.078 -152.98 -33.3925 227.269 105.974 207.299 23.0449 PRESSAVG: 3201400 -10.3657 37.3899 21.2247 37.3899 16.7567 -16.9382 21.2247 -16.9382 17.2866 GPRESSAVG: 3201400 -9.44654 36.922 22.7572 38.2872 17.2259 -18.4852 21.4321 -14.1118 15.9994 TIMING: 3201400 CPU: 10003.4, 0.00315263/step Wall: 10003.4, 0.00315263/step, 1.57509 hours remaining, 233.335938 MB of memory in use. ENERGY: 3201400 3997.4035 20457.9975 14501.0761 264.9844 -203408.7500 2859.1605 0.0000 0.0000 51907.8080 -109420.3200 298.3149 -161328.1280 -109051.9058 299.0714 -82.3091 -58.5875 763375.0974 7.8925 7.9262 PRESSURE: 3201600 -32.4464 38.592 147.622 38.5923 418.898 34.5155 147.622 34.5148 225.342 GPRESSURE: 3201600 38.7549 -170.059 194.953 69.793 448.303 39.8969 77.5844 61.0982 232.109 PRESSAVG: 3201600 -40.9496 28.3296 9.39081 28.3296 71.4662 14.0245 9.39076 14.0245 -21.5794 GPRESSAVG: 3201600 -40.4315 28.2931 9.10212 28.9502 70.8763 13.9688 6.43757 12.0733 -21.6101 TIMING: 3201600 CPU: 10004.1, 0.00316671/step Wall: 10004.1, 0.00316671/step, 1.58195 hours remaining, 233.335938 MB of memory in use. ENERGY: 3201600 3991.9327 20260.4078 14456.8613 254.6886 -203172.1240 2824.0576 0.0000 0.0000 52091.3759 -109292.8000 299.3699 -161384.1759 -108925.5773 298.8294 203.9312 239.7222 764912.9294 2.9790 2.9449 PRESSURE: 3201800 175.041 164.487 93.1253 164.487 -69.9378 141.26 93.1251 141.261 -54.1779 GPRESSURE: 3201800 166.529 97.1849 133.039 83.4271 -0.878394 99.2353 182.199 143.555 -19.3088 PRESSAVG: 3201800 -8.37806 42.8801 77.3944 42.8801 27.2199 36.1269 77.3944 36.1269 -3.18001 GPRESSAVG: 3201800 -9.49345 42.5458 77.1197 41.8522 29.0608 36.94 80.2263 36.3496 -3.17645 TIMING: 3201800 CPU: 10004.7, 0.00316002/step Wall: 10004.7, 0.00316002/step, 1.57843 hours remaining, 233.335938 MB of memory in use. ENERGY: 3201800 4080.5734 20486.1138 14533.5204 251.8213 -203517.2252 2842.9758 0.0000 0.0000 51906.6959 -109415.5246 298.3085 -161322.2205 -109068.4685 298.9083 16.9749 48.7805 761258.4556 5.2206 5.4636 PRESSURE: 3202000 -85.5666 239.671 -20.2269 239.671 158.813 -95.5146 -20.2264 -95.5166 17.0628 GPRESSURE: 3202000 -39.9985 234.085 -26.7785 264.837 209.172 -150.191 -34.1068 -122.826 14.6646 PRESSAVG: 3202000 39.982 56.0668 50.7875 56.0669 -2.94712 -30.8412 50.7875 -30.8413 -10.479 GPRESSAVG: 3202000 40.0623 55.5486 50.0398 56.7797 -3.31116 -31.2136 51.4196 -29.7682 -10.1206 TIMING: 3202000 CPU: 10005.3, 0.00313706/step Wall: 10005.3, 0.00313706/step, 1.56679 hours remaining, 233.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3202000 3917.5195 20402.9762 14578.4343 268.9105 -203348.2740 2741.0321 0.0000 0.0000 51917.2451 -109522.1563 298.3691 -161439.4014 -109162.2660 298.2604 30.1032 61.2795 761959.5575 8.8520 8.8768 PRESSURE: 3202200 67.0562 -23.3426 73.4987 -23.3431 125.255 16.3481 73.4981 16.3483 289.989 GPRESSURE: 3202200 128.232 -53.4162 117.806 -33.9652 171.185 109.378 39.3763 -82.1661 270.404 PRESSAVG: 3202200 -10.8498 11.5447 56.9225 11.5448 7.10743 -21.3329 56.9225 -21.3331 -2.23948 GPRESSAVG: 3202200 -10.3237 13.0857 55.3985 11.3896 7.18805 -20.9798 57.1235 -23.3618 -2.51022 TIMING: 3202200 CPU: 10005.9, 0.00313735/step Wall: 10005.9, 0.00313736/step, 1.56676 hours remaining, 233.335938 MB of memory in use. ENERGY: 3202200 4011.0482 20366.5975 14477.2436 242.2310 -203296.0985 2700.1391 0.0000 0.0000 51817.4481 -109681.3909 297.7956 -161498.8390 -109329.5630 298.3283 160.7668 189.9402 761374.7570 -1.9939 -1.8819 PRESSURE: 3202400 174.857 89.2584 101.634 89.258 158.131 112.704 101.634 112.705 151.263 GPRESSURE: 3202400 233.725 -52.6045 160.659 -22.1504 157.457 112.327 -58.105 229.51 174.184 PRESSAVG: 3202400 -25.1285 14.7249 27.5847 14.7249 27.1724 16.5636 27.5847 16.5635 -6.72763 GPRESSAVG: 3202400 -24.7059 12.1961 28.2123 14.7686 27.3076 17.9735 27.0479 17.8492 -7.33444 TIMING: 3202400 CPU: 10006.6, 0.00312976/step Wall: 10006.6, 0.00312976/step, 1.56279 hours remaining, 233.335938 MB of memory in use. ENERGY: 3202400 3955.7292 20440.1654 14460.5166 259.1553 -203349.9515 2866.8000 0.0000 0.0000 51796.1210 -109571.4640 297.6730 -161367.5849 -109219.5405 298.3517 161.4171 188.4555 762979.5896 -1.5613 -1.5776 PRESSURE: 3202600 489.942 -61.1821 139.757 -61.1822 343.763 132.156 139.757 132.156 237.697 GPRESSURE: 3202600 458.85 4.94087 122.999 86.5896 376.162 21.372 84.3602 116.493 296.525 PRESSAVG: 3202600 -7.06319 49.7235 7.9201 49.7236 18.7504 13.2034 7.92014 13.2034 -21.466 GPRESSAVG: 3202600 -7.56427 50.4256 9.63795 50.7989 17.6026 10.5895 6.07046 12.6859 -19.3511 TIMING: 3202600 CPU: 10007.2, 0.00314547/step Wall: 10007.2, 0.00314547/step, 1.57046 hours remaining, 233.335938 MB of memory in use. ENERGY: 3202600 3931.5855 20339.4453 14507.3407 256.4066 -203014.3478 2600.3702 0.0000 0.0000 51959.4943 -109419.7052 298.6119 -161379.1995 -109046.4321 298.7052 357.1340 377.1791 761978.0161 -3.2596 -3.1043 PRESSURE: 3202800 188.205 -49.6922 92.2475 -49.6919 71.8931 -89.7633 92.2479 -89.7633 288.083 GPRESSURE: 3202800 232.801 -19.7025 134.869 -3.36793 6.28121 -58.8326 8.99176 -47.7212 385.618 PRESSAVG: 3202800 18.2474 49.7035 -11.6665 49.7035 -31.2524 -23.5479 -11.6665 -23.5479 10.1043 GPRESSAVG: 3202800 18.2678 50.2687 -11.8 49.5635 -31.5354 -20.5757 -11.7148 -24.5204 10.2476 TIMING: 3202800 CPU: 10007.8, 0.00314358/step Wall: 10007.8, 0.00314358/step, 1.56934 hours remaining, 233.335938 MB of memory in use. ENERGY: 3202800 3977.1207 20496.9566 14554.6612 252.8488 -203502.3495 3006.9977 0.0000 0.0000 52041.4301 -109172.3344 299.0828 -161213.7645 -108816.8236 298.7116 182.7271 208.2334 761978.2021 -0.9669 -1.0067 PRESSURE: 3203000 82.6063 -99.3205 -192.776 -99.3203 230.088 112.092 -192.776 112.091 56.6805 GPRESSURE: 3203000 82.3016 -100.726 -157.327 -34.7337 234.841 129.416 -155.099 11.8637 138.873 PRESSAVG: 3203000 5.05002 1.61873 54.1429 1.61872 40.3292 37.0885 54.1428 37.0885 18.0146 GPRESSAVG: 3203000 4.27195 1.46414 54.8611 1.4093 42.4292 36.191 56.4016 36.3513 16.83 TIMING: 3203000 CPU: 10008.5, 0.00313373/step Wall: 10008.5, 0.00313373/step, 1.56426 hours remaining, 233.335938 MB of memory in use. ENERGY: 3203000 4024.2896 20514.6279 14471.5921 242.8300 -202935.7251 2472.8221 0.0000 0.0000 51962.4474 -109247.1160 298.6289 -161209.5634 -108892.4598 298.8891 123.1248 152.0052 760178.8052 21.1312 21.1771 PRESSURE: 3203200 16.8545 -13.9091 -258.64 -13.9091 237.932 133.361 -258.641 133.359 -342.803 GPRESSURE: 3203200 -27.1858 7.10837 -287.283 -92.8367 257.878 92.4391 -182.189 123.267 -223.849 PRESSAVG: 3203200 -63.4964 12.0081 12.2963 12.0081 59.6736 -7.46946 12.2963 -7.46942 -35.1482 GPRESSAVG: 3203200 -63.0219 11.163 12.0421 12.1295 58.1224 -6.83851 11.454 -6.4604 -34.2219 TIMING: 3203200 CPU: 10009.1, 0.00312755/step Wall: 10009.1, 0.00312755/step, 1.561 hours remaining, 233.335938 MB of memory in use. ENERGY: 3203200 3979.5715 20506.5399 14444.6613 247.9021 -203212.2154 2677.3462 0.0000 0.0000 51911.5964 -109444.5980 298.3367 -161356.1943 -109085.5072 299.1785 -29.3390 2.2811 759570.1547 -12.9903 -13.0405 PRESSURE: 3203400 -224.871 -177.452 -23.4072 -177.452 -1.8935 30.9999 -23.4074 31.0007 -263.664 GPRESSURE: 3203400 -150.733 41.1132 -92.7616 -106.698 -77.8608 28.0692 -0.870427 -85.1662 -156.923 PRESSAVG: 3203400 -17.0331 20.398 3.51184 20.398 3.78217 6.16954 3.51187 6.16952 6.5343 GPRESSAVG: 3203400 -15.7218 23.5432 2.54498 19.382 2.4285 6.25311 4.59354 4.51777 6.67989 TIMING: 3203400 CPU: 10009.7, 0.00309947/step Wall: 10009.7, 0.00309947/step, 1.54681 hours remaining, 233.335938 MB of memory in use. ENERGY: 3203400 3968.2634 20554.9158 14474.3811 269.4292 -203440.6380 2767.2240 0.0000 0.0000 51889.0094 -109517.4150 298.2069 -161406.4245 -109152.7604 298.8492 -163.4764 -128.5058 762822.7320 -2.2389 -2.2045 PRESSURE: 3203600 -268.001 -146.462 73.9132 -146.462 123.475 -19.3904 73.9126 -19.3913 231.424 GPRESSURE: 3203600 -112.008 -34.8774 28.5416 -208.581 42.3945 -69.2142 66.4085 11.4482 208.536 PRESSAVG: 3203600 -0.598593 39.8388 48.2975 39.8388 48.1038 -25.1261 48.2975 -25.126 12.5306 GPRESSAVG: 3203600 -1.79333 38.7528 48.6681 40.7382 49.7503 -26.6675 48.0673 -22.6127 11.9703 TIMING: 3203600 CPU: 10010.3, 0.00314644/step Wall: 10010.3, 0.00314644/step, 1.57008 hours remaining, 233.335938 MB of memory in use. ENERGY: 3203600 4007.7542 20617.0361 14467.1157 250.5006 -203669.6987 2810.5920 0.0000 0.0000 52114.9742 -109401.7260 299.5055 -161516.7002 -109041.6079 298.5845 28.9660 46.3075 762048.9303 20.0119 19.9758 PRESSURE: 3203800 101.421 70.9149 -51.7982 70.9149 -47.1365 87.6192 -51.7981 87.6188 100.063 GPRESSURE: 3203800 49.689 136.827 -31.0421 58.6233 31.8665 140.804 -12.7211 -1.93773 162.091 PRESSAVG: 3203800 2.64283 52.0723 4.74925 52.0723 -2.9243 43.7693 4.74927 43.7693 -2.45431 GPRESSAVG: 3203800 2.40336 51.663 2.85364 52.0514 -3.01023 45.38 5.78798 41.8993 -1.96108 TIMING: 3203800 CPU: 10011, 0.00313144/step Wall: 10011, 0.00313144/step, 1.56241 hours remaining, 233.335938 MB of memory in use. ENERGY: 3203800 3978.8082 20713.3078 14430.6190 236.0303 -203906.3609 2986.5206 0.0000 0.0000 52184.9897 -109376.0854 299.9079 -161561.0751 -109019.2363 299.0903 51.4492 81.2155 761774.1545 -0.9119 -0.8560 PRESSURE: 3204000 -311.747 42.1833 356.947 42.1836 -91.4642 96.3052 356.947 96.3051 -2.96908 GPRESSURE: 3204000 -238.814 -5.50525 369.058 143.089 -91.7338 87.486 279.634 29.179 20.6051 PRESSAVG: 3204000 -6.02979 52.9874 -8.86763 52.9874 -17.3964 -32.1646 -8.86767 -32.1646 7.74601 GPRESSAVG: 3204000 -6.53207 51.9544 -6.88219 54.0465 -17.0172 -31.7503 -9.69595 -31.5235 8.02256 TIMING: 3204000 CPU: 10011.6, 0.00313528/step Wall: 10011.6, 0.00313528/step, 1.56416 hours remaining, 233.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3204000 3968.8779 20416.2989 14484.8487 237.6980 -202729.1845 2328.0164 0.0000 0.0000 51950.0762 -109343.3683 298.5578 -161293.4445 -108981.0383 298.6784 -135.3935 -103.3142 762703.0840 -5.2267 -5.1756 PRESSURE: 3204200 109.517 143.2 184.781 143.2 44.7606 -71.9356 184.779 -71.9361 47.2891 GPRESSURE: 3204200 206.961 123.632 36.6824 175.021 -67.2298 -34.2952 138.707 -123.012 156.246 PRESSAVG: 3204200 -17.8258 32.7501 -41.402 32.7501 7.54964 -28.9146 -41.4021 -28.9146 18.3611 GPRESSAVG: 3204200 -17.2068 34.3072 -41.9208 32.4691 6.12413 -31.0888 -42.1272 -28.4012 18.684 TIMING: 3204200 CPU: 10012.2, 0.00311296/step Wall: 10012.2, 0.00311295/step, 1.55285 hours remaining, 233.335938 MB of memory in use. ENERGY: 3204200 3987.0678 20613.6898 14470.5399 258.3316 -203038.0109 2752.0629 0.0000 0.0000 52188.9161 -108767.4029 299.9304 -160956.3189 -108400.7303 299.6142 67.1891 98.6592 764411.9149 2.6950 2.5338 LDB: ============= START OF LOAD BALANCING ============== 10024.7 LDB: ============== END OF LOAD BALANCING =============== 10024.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10024.7 LDB: ============= START OF LOAD BALANCING ============== 10025 LDB: Largest compute 7007 load 0.033540 is 17.2% of average load 0.195200 LDB: Average compute 0.004396 is 2.3% of average load 0.195200 LDB: TIME 10025 LOAD: AVG 0.1952 MAX 0.219546 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.598 MB LDB: TIME 10025 LOAD: AVG 0.1952 MAX 0.219546 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.602 MB LDB: TIME 10025 LOAD: AVG 0.1952 MAX 0.216049 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.602 MB LDB: ============== END OF LOAD BALANCING =============== 10025 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10025 PRESSURE: 3204400 -95.7063 39.2567 155.235 39.2573 -172.335 -23.4791 155.234 -23.4797 -18.507 GPRESSURE: 3204400 -113.564 6.31767 253.423 121.346 -110.241 61.4884 186.806 148.949 10.2804 PRESSAVG: 3204400 -1.01676 34.7644 29.8643 34.7644 21.1194 -12.929 29.8643 -12.9291 -3.39472 GPRESSAVG: 3204400 -0.821134 34.8357 30.5272 33.3355 21.5328 -11.9993 28.7091 -12.7037 -4.22517 TIMING: 3204400 CPU: 10012.8, 0.00320036/step Wall: 10012.8, 0.00320036/step, 1.59627 hours remaining, 236.105469 MB of memory in use. ENERGY: 3204400 4037.6172 20686.2514 14511.8638 266.3787 -203001.4525 2699.9455 0.0000 0.0000 52327.2610 -108472.1349 300.7255 -160799.3959 -108109.3402 300.5388 -95.5161 -71.1749 763290.7600 5.5693 5.4955 PRESSURE: 3204600 -47.4809 -75.6953 135.888 -75.6956 -70.9158 20.542 135.89 20.5426 -485.82 GPRESSURE: 3204600 -3.90568 -19.3193 111.294 -29.8528 25.8091 40.7412 127.707 -129.651 -521.779 PRESSAVG: 3204600 -44.0861 26.426 49.6906 26.426 -9.19332 23.971 49.6906 23.971 3.03422 GPRESSAVG: 3204600 -44.8437 25.4239 48.4448 27.8758 -8.06658 23.627 51.5304 24.4776 3.5002 TIMING: 3204600 CPU: 10013.5, 0.00314923/step Wall: 10013.5, 0.00314923/step, 1.57059 hours remaining, 236.105469 MB of memory in use. ENERGY: 3204600 4001.5196 20589.6529 14534.8836 260.5571 -202562.6497 2491.5517 0.0000 0.0000 52200.0358 -108484.4490 299.9943 -160684.4848 -108121.5313 300.3681 -201.4056 -166.6251 764244.9438 -16.7484 -16.4700 PRESSURE: 3204800 -249.424 263.019 4.01118 263.019 -70.6504 113.931 4.01172 113.931 106.719 GPRESSURE: 3204800 -188.963 232.921 -37.0711 238.715 -81.8873 18.4915 -60.4717 135.128 107.551 PRESSAVG: 3204800 -38.724 34.5198 10.0782 34.5197 49.1581 5.79723 10.0782 5.79724 -1.47919 GPRESSAVG: 3204800 -37.3857 35.9895 11.8261 32.2834 48.9031 6.75278 8.457 4.20088 -2.46538 TIMING: 3204800 CPU: 10014.1, 0.00311563/step Wall: 10014.1, 0.00311563/step, 1.55366 hours remaining, 236.105469 MB of memory in use. ENERGY: 3204800 4024.4222 20617.4101 14528.7214 241.5162 -202558.9186 2160.2987 0.0000 0.0000 52577.0929 -108409.4570 302.1613 -160986.5499 -108040.7890 300.6187 -71.1182 -54.4332 764183.2021 2.9850 3.0173 PRESSURE: 3205000 -373.858 228.087 -230.152 228.086 -209.832 -42.233 -230.152 -42.2331 4.97597 GPRESSURE: 3205000 -267.423 162.828 -127.774 197.851 -271.422 -0.114045 -242.398 -58.2502 35.3094 PRESSAVG: 3205000 24.4616 56.7331 -32.794 56.7331 6.78895 3.64137 -32.7939 3.64137 22.82 GPRESSAVG: 3205000 25.0218 55.3553 -33.2584 55.7403 6.1528 2.57022 -31.8639 6.16007 23.1851 TIMING: 3205000 CPU: 10014.7, 0.00313365/step Wall: 10014.7, 0.00313365/step, 1.56247 hours remaining, 236.105469 MB of memory in use. ENERGY: 3205000 4128.0700 20641.6502 14512.6060 258.2830 -202849.4364 2657.7510 0.0000 0.0000 52231.6753 -108419.4009 300.1762 -160651.0762 -108048.6169 301.2070 -192.9047 -167.8455 764347.8776 18.0235 18.1199 PRESSURE: 3205200 -194.049 -83.6623 -0.0212426 -83.6626 -230.585 -76.4676 -0.0206218 -76.4687 111.063 GPRESSURE: 3205200 -173.064 28.6562 27.6191 -67.5107 -200.764 -190.512 -0.956834 88.0792 129.741 PRESSAVG: 3205200 12.8176 -15.3542 6.06064 -15.3543 -0.057267 -36.8315 6.06064 -36.8315 -18.5192 GPRESSAVG: 3205200 12.3335 -13.6881 5.57775 -15.0945 0.823202 -37.3023 6.81001 -35.5254 -18.8605 TIMING: 3205200 CPU: 10015.4, 0.00316093/step Wall: 10015.4, 0.00316093/step, 1.5759 hours remaining, 236.105469 MB of memory in use. ENERGY: 3205200 4004.7514 20715.6448 14487.0563 233.2019 -202112.9662 2074.4176 0.0000 0.0000 52133.9307 -108463.9634 299.6144 -160597.8941 -108096.1208 300.5876 -104.5237 -81.3624 764580.9861 -1.9196 -1.9012 PRESSURE: 3205400 -230.714 211.069 58.3859 211.07 -194.737 101.317 58.3859 101.317 182.514 GPRESSURE: 3205400 -188.494 100.467 21.7984 207.633 -139.079 55.3311 87.8249 29.0107 181.726 PRESSAVG: 3205400 10.3969 38.7549 44.4586 38.7549 -6.88146 10.592 44.4586 10.592 6.45011 GPRESSAVG: 3205400 9.28958 38.0028 44.1573 39.761 -6.2348 11.9651 45.9641 7.40935 7.20746 TIMING: 3205400 CPU: 10016, 0.00315726/step Wall: 10016, 0.00315726/step, 1.5739 hours remaining, 236.105469 MB of memory in use. ENERGY: 3205400 3972.5202 20700.5523 14527.8422 253.0038 -202772.6401 2451.0785 0.0000 0.0000 52365.5364 -108502.1067 300.9455 -160867.6430 -108149.6562 300.4596 -80.9790 -48.6156 763868.5273 3.3218 3.4207 PRESSURE: 3205600 -334.927 281.443 -163.617 281.443 -108.897 -30.6941 -163.618 -30.6932 86.1197 GPRESSURE: 3205600 -339.022 128.684 -117.479 169.743 -107.964 27.1545 -196.588 -21.4795 172.235 PRESSAVG: 3205600 -15.643 61.036 26.9081 61.0359 -26.9921 6.44202 26.9081 6.44208 27.8623 GPRESSAVG: 3205600 -15.0483 59.4781 27.24 62.0123 -26.9854 6.18229 24.8939 6.62335 27.6253 TIMING: 3205600 CPU: 10016.6, 0.00312271/step Wall: 10016.6, 0.00312271/step, 1.5565 hours remaining, 236.105469 MB of memory in use. ENERGY: 3205600 4015.3048 20629.2078 14505.9576 255.1721 -203474.8101 2950.3420 0.0000 0.0000 52593.3975 -108525.4283 302.2550 -161118.8258 -108162.3138 301.3217 -119.2349 -91.5837 762995.1281 -4.9243 -4.8028 PRESSURE: 3205800 -193.436 -124.122 201.107 -124.122 155.899 -8.25905 201.107 -8.25834 43.6929 GPRESSURE: 3205800 -162.362 -109.135 165.085 -207.51 235.17 -4.50164 238.453 -7.39049 19.9412 PRESSAVG: 3205800 2.29787 10.3261 48.4617 10.3261 -18.1203 17.7848 48.4616 17.7847 18.2484 GPRESSAVG: 3205800 2.33269 11.0724 47.8289 10.1484 -18.2765 16.9784 49.9785 17.2013 18.351 TIMING: 3205800 CPU: 10017.2, 0.00313068/step Wall: 10017.2, 0.00313068/step, 1.5603 hours remaining, 236.105469 MB of memory in use. ENERGY: 3205800 4056.8447 20701.5482 14580.3377 248.6474 -203192.3431 2780.5093 0.0000 0.0000 52514.3259 -108310.1301 301.8006 -160824.4559 -107932.8651 301.2746 2.0520 30.9165 763246.4897 0.8086 0.8024 PRESSURE: 3206000 -236.196 -48.68 -6.8796 -48.6801 108.117 -40.4714 -6.87909 -40.4698 51.0068 GPRESSURE: 3206000 -126.025 35.3187 68.6402 -19.3342 66.8016 -9.51905 3.53588 -39.7878 57.7512 PRESSAVG: 3206000 -15.737 40.651 -14.4147 40.651 50.683 5.08965 -14.4147 5.08973 2.35764 GPRESSAVG: 3206000 -16.1806 40.6478 -13.3691 41.5304 51.211 6.04462 -16.3005 6.1707 2.51195 TIMING: 3206000 CPU: 10017.9, 0.00313417/step Wall: 10017.9, 0.00313417/step, 1.56186 hours remaining, 236.105469 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: 3206000 3980.9480 20559.9918 14509.7705 254.3000 -202884.5145 2544.2372 0.0000 0.0000 52487.8813 -108547.3857 301.6486 -161035.2670 -108177.1540 301.1436 -25.6907 -0.4907 763536.7897 12.4345 12.5141 PRESSURE: 3206200 -147.816 16.9079 -218.447 16.9081 110.304 32.935 -218.447 32.935 -183.557 GPRESSURE: 3206200 -58.4687 7.42403 -139.423 106.332 135.628 41.6921 -149.263 69.6323 -210.183 PRESSAVG: 3206200 -0.240872 -17.8659 -1.40035 -17.8659 17.6525 33.2932 -1.40029 33.2932 -3.05704 GPRESSAVG: 3206200 -0.0446408 -16.0155 -0.880855 -20.0059 17.167 34.1462 0.981317 32.6607 -3.15978 TIMING: 3206200 CPU: 10018.5, 0.00313249/step Wall: 10018.5, 0.00313249/step, 1.56085 hours remaining, 236.105469 MB of memory in use. ENERGY: 3206200 4058.0493 20723.2074 14449.7907 252.0133 -202935.2061 2732.4701 0.0000 0.0000 51962.3618 -108757.3134 298.6284 -160719.6752 -108391.3031 300.7012 -73.6899 -44.3414 763194.3231 4.7849 4.6542 PRESSURE: 3206400 248.069 84.8035 -43.6997 84.8045 121.327 -125.45 -43.6984 -125.449 193.878 GPRESSURE: 3206400 223.499 140.633 -47.4386 122.259 181.822 -122.062 -11.8708 -129.316 256.398 PRESSAVG: 3206400 -73.1863 35.1386 -60.3006 35.1386 62.0203 49.1893 -60.3006 49.1893 11.3434 GPRESSAVG: 3206400 -73.7372 36.0213 -59.7509 35.8645 62.1694 48.4171 -62.4539 48.9549 11.6408 TIMING: 3206400 CPU: 10019.1, 0.00312695/step Wall: 10019.1, 0.00312695/step, 1.55792 hours remaining, 236.105469 MB of memory in use. ENERGY: 3206400 3913.0744 20709.4806 14433.7743 236.1295 -203241.9638 2807.8815 0.0000 0.0000 52428.2092 -108713.4141 301.3056 -161141.6233 -108354.7866 300.2754 187.7582 220.5731 762485.0580 0.0592 0.0243 PRESSURE: 3206600 -61.7705 -91.3056 -143.238 -91.3046 200.021 -1.40886 -143.239 -1.40777 101.092 GPRESSURE: 3206600 11.2048 -36.6781 -54.8825 -135.518 239.771 -65.6779 -137.699 46.2949 63.1702 PRESSAVG: 3206600 -54.1982 -11.7682 53.6672 -11.7682 85.64 25.0156 53.6672 25.0155 -21.7099 GPRESSAVG: 3206600 -54.2168 -13.0467 53.4638 -12.079 86.243 24.0758 55.2918 24.3122 -22.3036 TIMING: 3206600 CPU: 10019.7, 0.00313133/step Wall: 10019.7, 0.00313133/step, 1.55993 hours remaining, 236.105469 MB of memory in use. ENERGY: 3206600 3940.8873 20555.7255 14541.1849 257.0288 -202603.1546 2257.6342 0.0000 0.0000 52196.9295 -108853.7644 299.9765 -161050.6939 -108478.9526 300.3260 79.7809 104.7153 763173.1913 3.2440 3.2409 PRESSURE: 3206800 175.26 49.8069 222.63 49.8064 280.039 172.204 222.63 172.204 99.977 GPRESSURE: 3206800 131.052 99.878 338.169 -98.6588 335.799 212.96 152.316 162.984 180.7 PRESSAVG: 3206800 -33.0058 -10.6614 7.08096 -10.6613 42.6841 73.3791 7.08096 73.3791 27.8452 GPRESSAVG: 3206800 -31.8426 -10.9765 8.92457 -10.7358 41.674 74.1553 6.32235 72.4733 27.2415 TIMING: 3206800 CPU: 10020.4, 0.00314541/step Wall: 10020.4, 0.00314541/step, 1.56676 hours remaining, 236.105469 MB of memory in use. ENERGY: 3206800 4023.7565 20575.6960 14561.3369 262.0005 -203359.2815 2999.9424 0.0000 0.0000 52166.0628 -108770.4865 299.7991 -160936.5493 -108415.0583 300.3191 185.0920 215.8504 763233.4368 12.5078 12.3576 PRESSURE: 3207000 -71.1793 147.975 71.3692 147.975 551.082 -302.406 71.3689 -302.404 330.165 GPRESSURE: 3207000 79.5324 44.1667 59.8174 69.6855 468.593 -338.58 19.6231 -330.332 356.657 PRESSAVG: 3207000 -47.2217 -4.645 20.8246 -4.64506 64.5618 61.4424 20.8247 61.4424 -2.25332 GPRESSAVG: 3207000 -47.033 -3.38833 17.8336 -3.88306 64.0319 61.355 22.4034 61.806 -2.0072 TIMING: 3207000 CPU: 10021, 0.0031584/step Wall: 10021, 0.0031584/step, 1.57306 hours remaining, 236.105469 MB of memory in use. ENERGY: 3207000 4008.1712 20485.0399 14559.2937 252.3626 -203127.5631 2900.4869 0.0000 0.0000 52167.6957 -108754.5131 299.8085 -160922.2088 -108384.2697 300.1411 270.0224 301.5941 763555.8546 5.0289 4.9972 PRESSURE: 3207200 28.7709 -57.7947 417.537 -57.7933 9.82732 -82.888 417.537 -82.8876 162.119 GPRESSURE: 3207200 72.8703 -106.585 371.865 -51.2991 136.725 -79.7987 277.102 24.7852 88.9651 PRESSAVG: 3207200 -20.5578 -34.1778 21.9658 -34.1779 -16.2912 -29.3183 21.9658 -29.3183 2.12885 GPRESSAVG: 3207200 -21.1764 -36.5215 22.1033 -32.6496 -14.27 -29.3728 20.6667 -28.1314 1.36284 TIMING: 3207200 CPU: 10021.6, 0.00312953/step Wall: 10021.6, 0.00312953/step, 1.55851 hours remaining, 236.105469 MB of memory in use. ENERGY: 3207200 3963.6557 20554.2141 14489.3366 243.5349 -203435.5350 2880.6783 0.0000 0.0000 52297.4629 -109006.6525 300.5542 -161304.1155 -108644.2777 299.9028 66.9058 99.5202 761668.1611 -11.5734 -11.3612 PRESSURE: 3207400 -234.89 -18.1001 -77.9555 -18.1002 -174.73 5.20892 -77.9558 5.20851 -25.8398 GPRESSURE: 3207400 -215.947 -21.6982 -65.6011 -22.2923 -84.037 -1.57464 -116.61 -85.3092 -53.0055 PRESSAVG: 3207400 15.2961 -2.97622 -8.80464 -2.97616 -13.2572 1.15574 -8.80471 1.15582 1.87771 GPRESSAVG: 3207400 13.7829 -3.03171 -8.83703 -4.05527 -13.6238 2.04146 -10.5591 1.29846 2.90356 TIMING: 3207400 CPU: 10022.3, 0.00310334/step Wall: 10022.3, 0.00310334/step, 1.54529 hours remaining, 236.105469 MB of memory in use. ENERGY: 3207400 3976.4084 20601.7377 14578.8845 271.8515 -202742.5695 2332.6504 0.0000 0.0000 51926.6165 -109054.4205 298.4230 -160981.0370 -108699.6440 300.1484 -145.1534 -117.6633 763295.9784 1.3055 1.0209 PRESSURE: 3207600 16.323 152.092 -24.4292 152.092 86.6814 -79.1364 -24.429 -79.1375 -178.603 GPRESSURE: 3207600 13.7443 116.261 2.68462 116.515 44.0334 -148.898 47.6982 22.6519 -49.9641 PRESSAVG: 3207600 -35.4105 18.5132 15.9735 18.5132 45.1833 23.2403 15.9736 23.2402 -19.0279 GPRESSAVG: 3207600 -34.2101 21.8826 17.1675 17.4179 43.9109 22.6737 16.6865 23.1566 -19.2865 TIMING: 3207600 CPU: 10022.9, 0.00310854/step Wall: 10022.9, 0.00310854/step, 1.54771 hours remaining, 236.105469 MB of memory in use. ENERGY: 3207600 3997.4389 20548.6658 14440.7117 224.7979 -203400.7249 2755.4799 0.0000 0.0000 52318.0939 -109115.5369 300.6728 -161433.6307 -108758.0779 300.1476 -25.1996 2.6045 762343.0395 -3.0850 -3.1953 PRESSURE: 3207800 -133.42 54.2249 87.7382 54.2248 107.819 -46.9072 87.7378 -46.9069 89.6504 GPRESSURE: 3207800 -112.869 76.1172 77.2721 94.8629 40.2793 -97.5098 157.152 -7.45179 221.562 PRESSAVG: 3207800 -27.2319 34.1267 -10.6417 34.1267 33.0033 9.58741 -10.6417 9.58737 18.5842 GPRESSAVG: 3207800 -26.4109 32.6249 -10.8806 34.0626 32.2775 8.38876 -9.92669 8.93429 18.1196 TIMING: 3207800 CPU: 10023.5, 0.00313663/step Wall: 10023.5, 0.00313663/step, 1.56152 hours remaining, 236.105469 MB of memory in use. ENERGY: 3207800 3996.7416 20511.1947 14502.8240 255.4806 -203514.2716 2807.2750 0.0000 0.0000 52317.2763 -109123.4794 300.6681 -161440.7557 -108770.7634 299.4834 21.3500 49.6574 761368.0123 8.1185 7.9954 PRESSURE: 3208000 -42.0259 165.176 9.31592 165.176 170.128 -133.763 9.31651 -133.762 37.3034 GPRESSURE: 3208000 8.33187 284.885 -36.0465 110.603 231.946 -217.312 9.60704 -58.1195 29.7671 PRESSAVG: 3208000 -73.0835 -17.2189 -47.8561 -17.2189 63.4255 40.4931 -47.8562 40.4931 -14.7758 GPRESSAVG: 3208000 -73.982 -17.2236 -49.3123 -17.5589 64.6713 41.2227 -46.924 40.9489 -15.3883 TIMING: 3208000 CPU: 10024.1, 0.00312341/step Wall: 10024.1, 0.00312341/step, 1.55476 hours remaining, 236.105469 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: 3208000 3962.6502 20543.7956 14533.3154 264.2985 -203137.9186 2768.3928 0.0000 0.0000 52062.4924 -109002.9737 299.2039 -161065.4661 -108642.4515 299.7961 55.1352 90.0149 763389.2670 -8.1446 -8.2330 PRESSURE: 3208200 23.8064 -38.8442 37.8396 -38.8442 -119.904 -161.932 37.8397 -161.932 -22.7328 GPRESSURE: 3208200 77.2082 -113.596 79.1767 35.8861 -35.6446 -146.406 -22.283 -152.508 -85.6732 PRESSAVG: 3208200 -13.7668 -23.4146 -4.33057 -23.4146 -21.8903 3.72098 -4.3306 3.72089 7.55609 GPRESSAVG: 3208200 -13.8472 -23.5388 -4.87137 -22.7355 -22.9133 3.63357 -4.94924 3.50489 8.65122 TIMING: 3208200 CPU: 10024.7, 0.00311313/step Wall: 10024.7, 0.00311313/step, 1.54947 hours remaining, 236.105469 MB of memory in use. ENERGY: 3208200 3941.6906 20538.2144 14474.9383 268.5706 -203389.6078 3053.6232 0.0000 0.0000 52116.3251 -108996.2456 299.5132 -161112.5707 -108628.1709 299.6061 -39.6101 -14.7032 764278.1654 -9.3670 -9.3697 LDB: ============= START OF LOAD BALANCING ============== 10037.2 LDB: ============== END OF LOAD BALANCING =============== 10037.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10037.2 LDB: ============= START OF LOAD BALANCING ============== 10037.6 LDB: Largest compute 7007 load 0.031115 is 15.9% of average load 0.195198 LDB: Average compute 0.004381 is 2.2% of average load 0.195198 LDB: TIME 10037.6 LOAD: AVG 0.195198 MAX 0.216171 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.367 MB LDB: TIME 10037.6 LOAD: AVG 0.195198 MAX 0.216171 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.367 MB LDB: TIME 10037.6 LOAD: AVG 0.195198 MAX 0.216171 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.367 MB LDB: ============== END OF LOAD BALANCING =============== 10037.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10037.6 PRESSURE: 3208400 103.684 117.768 54.3213 117.768 -54.7417 -154.774 54.3207 -154.773 96.7659 GPRESSURE: 3208400 77.8073 165.056 74.3603 142.244 -41.3986 -67.0479 119.742 -272.721 176.728 PRESSAVG: 3208400 -0.901411 9.03788 10.7488 9.03792 -42.7955 -12.9226 10.7488 -12.9227 1.32327 GPRESSAVG: 3208400 -1.53389 10.5553 12.0385 7.82796 -42.0505 -10.8235 10.2103 -13.524 1.63086 TIMING: 3208400 CPU: 10025.4, 0.00323545/step Wall: 10025.4, 0.00323545/step, 1.61018 hours remaining, 233.906250 MB of memory in use. ENERGY: 3208400 3954.4113 20577.6101 14496.7742 253.4239 -203691.9250 2899.5352 0.0000 0.0000 52302.8280 -109207.3424 300.5851 -161510.1704 -108846.5371 299.5881 48.5693 71.0456 761763.4899 -14.1246 -13.9845 PRESSURE: 3208600 111.571 -25.291 -45.5707 -25.292 53.2245 116.845 -45.5703 116.845 409.421 GPRESSURE: 3208600 207.719 37.471 -169.182 23.9602 -20.1139 111.733 15.991 62.5917 473.968 PRESSAVG: 3208600 17.1514 24.364 -6.62997 24.3641 -7.05915 -54.5287 -6.63 -54.5287 51.8653 GPRESSAVG: 3208600 17.7365 24.4445 -6.12608 25.5138 -7.32593 -53.9592 -3.93004 -54.2247 51.7386 TIMING: 3208600 CPU: 10026, 0.00314116/step Wall: 10026, 0.00314116/step, 1.56307 hours remaining, 233.906250 MB of memory in use. ENERGY: 3208600 4051.8212 20472.0452 14505.5033 247.9533 -203442.5661 2662.6097 0.0000 0.0000 52185.3443 -109317.2890 299.9099 -161502.6334 -108949.2478 299.3974 191.4053 220.5243 761964.1997 20.6525 20.7164 PRESSURE: 3208800 -176.437 -77.6096 287.479 -77.6081 495.527 233.926 287.478 233.926 400.177 GPRESSURE: 3208800 -79.3191 -97.3666 286.17 29.9047 540.428 236.575 204.139 224.168 353.301 PRESSAVG: 3208800 -2.47746 9.73137 14.8316 9.73135 -6.62236 -37.4434 14.8317 -37.4434 3.07951 GPRESSAVG: 3208800 -2.56845 6.83748 14.803 10.9093 -6.89775 -38.7904 13.7081 -38.0145 3.00094 TIMING: 3208800 CPU: 10026.7, 0.00316411/step Wall: 10026.7, 0.00316411/step, 1.57432 hours remaining, 233.906250 MB of memory in use. ENERGY: 3208800 3900.6070 20515.5103 14524.8953 242.7535 -203927.5134 3083.7894 0.0000 0.0000 52017.9190 -109642.0391 298.9477 -161659.9580 -109288.0170 299.0273 239.7558 271.4699 760303.3811 -2.0068 -2.1551 PRESSURE: 3209000 44.067 -36.5672 -103.147 -36.5679 -10.7376 196.999 -103.147 197 -20.5384 GPRESSURE: 3209000 103.083 -110.677 -100.181 174.434 -46.5761 139.46 -103.747 193.863 52.5194 PRESSAVG: 3209000 16.0256 -4.42315 7.50551 -4.42314 27.6383 -59.0362 7.50549 -59.0361 -9.53427 GPRESSAVG: 3209000 16.1633 -2.62724 8.4905 -6.02163 27.4066 -58.6682 6.04158 -58.4215 -10.2622 TIMING: 3209000 CPU: 10027.3, 0.00312984/step Wall: 10027.3, 0.00312984/step, 1.5571 hours remaining, 233.906250 MB of memory in use. ENERGY: 3209000 3951.5269 20415.2545 14454.1937 242.5673 -203759.5651 2859.4001 0.0000 0.0000 51965.8250 -109870.7976 298.6483 -161836.6226 -109508.3941 298.2286 4.2637 36.3422 761430.2958 11.3766 11.1026 PRESSURE: 3209200 -374.779 13.1509 127.91 13.1509 56.1166 -93.782 127.91 -93.7822 -133.549 GPRESSURE: 3209200 -322.928 18.3113 142.881 46.7993 82.2789 -31.734 173.498 -54.4333 -131.007 PRESSAVG: 3209200 26.3524 -30.2785 -7.93569 -30.2785 -27.2262 10.2568 -7.93572 10.2567 7.57427 GPRESSAVG: 3209200 25.7575 -30.2395 -9.79546 -31.3984 -27.7236 9.87496 -6.90655 10.8689 7.80516 TIMING: 3209200 CPU: 10027.9, 0.00312348/step Wall: 10027.9, 0.00312348/step, 1.55376 hours remaining, 233.906250 MB of memory in use. ENERGY: 3209200 3974.0785 20675.5899 14494.9226 241.1149 -203807.6949 2651.6571 0.0000 0.0000 51827.8712 -109942.4607 297.8555 -161770.3319 -109587.3893 298.1100 -150.7373 -123.8853 762437.0545 2.2335 1.9463 PRESSURE: 3209400 110.211 86.3208 180.98 86.3205 -194.597 -64.5326 180.98 -64.5324 -27.6438 GPRESSURE: 3209400 106.732 105.688 92.7525 62.3455 -152.088 -0.672775 114.628 -106.994 31.3065 PRESSAVG: 3209400 -1.62168 -16.803 12.1157 -16.803 12.9543 -79.5199 12.1157 -79.5199 -8.63349 GPRESSAVG: 3209400 -2.84193 -16.2337 12.3329 -17.7028 14.1194 -81.0522 11.8536 -78.0868 -9.01745 TIMING: 3209400 CPU: 10028.5, 0.00313678/step Wall: 10028.5, 0.00313678/step, 1.5602 hours remaining, 233.906250 MB of memory in use. ENERGY: 3209400 4053.9790 20537.8714 14455.6365 247.1396 -204180.9727 3037.2565 0.0000 0.0000 52036.4825 -109812.6072 299.0544 -161849.0897 -109455.8964 298.5914 -37.3433 -4.6832 761041.1483 0.8997 0.7533 PRESSURE: 3209600 376.866 -172.662 -164.854 -172.662 90.914 218.838 -164.855 218.839 256.162 GPRESSURE: 3209600 333.567 -36.307 -150.11 -100.332 193.551 204.759 -85.7847 111.308 294.628 PRESSAVG: 3209600 28.2823 -17.2493 54.9692 -17.2493 -48.4399 -30.9225 54.9692 -30.9225 -8.07894 GPRESSAVG: 3209600 28.015 -18.3967 53.3806 -14.9226 -48.7721 -28.79 57.7405 -33.3634 -7.40578 TIMING: 3209600 CPU: 10029.2, 0.00312824/step Wall: 10029.2, 0.00312824/step, 1.55578 hours remaining, 233.906250 MB of memory in use. ENERGY: 3209600 3919.4453 20487.4096 14407.1525 258.4175 -204095.5733 3160.6748 0.0000 0.0000 52113.9265 -109748.5471 299.4995 -161862.4736 -109383.3371 298.7496 241.3141 273.9153 761795.8251 -9.4122 -9.3876 PRESSURE: 3209800 -245.067 207.421 258.758 207.42 24.8419 -69.5715 258.758 -69.5714 119.683 GPRESSURE: 3209800 -94.2523 166.675 254.29 243.41 12.971 -119.834 84.3865 28.2478 76.1044 PRESSAVG: 3209800 5.33125 16.865 15.8724 16.865 22.9989 1.59155 15.8723 1.59154 23.1803 GPRESSAVG: 3209800 6.66784 16.9324 16.8996 14.359 22.7694 2.31514 13.1337 2.61504 22.0297 TIMING: 3209800 CPU: 10029.8, 0.00314366/step Wall: 10029.8, 0.00314366/step, 1.56327 hours remaining, 233.906250 MB of memory in use. ENERGY: 3209800 3984.8778 20544.8788 14486.4968 263.9734 -203621.8971 2723.3773 0.0000 0.0000 52074.0187 -109544.2744 299.2701 -161618.2931 -109178.8965 298.8664 -33.5141 -1.7256 761534.2226 17.1701 17.1557 PRESSURE: 3210000 -135.47 -35.3926 -63.4471 -35.3923 -167.545 -16.0941 -63.4473 -16.0942 373.151 GPRESSURE: 3210000 -55.6845 -48.108 -3.1484 5.42424 -75.8735 -27.504 103.434 43.3608 284.381 PRESSAVG: 3210000 38.5645 42.9132 -9.0003 42.9133 -36.9119 -44.1384 -9.00033 -44.1383 -5.18702 GPRESSAVG: 3210000 39.2241 43.3344 -9.20654 45.6605 -37.6601 -45.9083 -9.94246 -44.6522 -5.27359 TIMING: 3210000 CPU: 10030.4, 0.00314643/step Wall: 10030.4, 0.00314643/step, 1.56447 hours remaining, 233.906250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3210000 4013.0096 20652.0381 14488.3023 242.7558 -203564.6481 2721.7837 0.0000 0.0000 51937.5496 -109509.2090 298.4858 -161446.7586 -109143.6355 298.7743 23.3787 50.9411 762976.8369 -1.1781 -1.2365 PRESSURE: 3210200 66.6742 32.0661 76.2658 32.0663 -143.55 -47.5228 76.2665 -47.5232 121.182 GPRESSURE: 3210200 186.903 39.2261 37.5567 53.3673 -149.591 -11.0198 57.5914 -29.7536 99.7728 PRESSAVG: 3210200 34.0936 53.1403 51.4964 53.1403 -47.5727 -59.6729 51.4964 -59.6729 -15.7418 GPRESSAVG: 3210200 31.9508 53.1405 52.5615 50.9461 -46.584 -60.422 53.7381 -59.4564 -14.558 TIMING: 3210200 CPU: 10031, 0.0031359/step Wall: 10031, 0.0031359/step, 1.55907 hours remaining, 233.906250 MB of memory in use. ENERGY: 3210200 4024.0547 20604.9016 14454.7242 247.9806 -203115.4156 2625.5322 0.0000 0.0000 51800.6377 -109357.5844 297.6990 -161158.2222 -108999.4599 299.0251 14.7685 45.6949 762451.0238 -9.7403 -9.7304 PRESSURE: 3210400 -527.683 134.683 -13.3469 134.683 6.67683 -7.92744 -13.3471 -7.92722 -60.6091 GPRESSURE: 3210400 -423.309 91.9952 6.84455 32.9171 -19.5481 31.8922 -70.7712 24.3521 -65.6432 PRESSAVG: 3210400 -3.61044 -7.61471 52.0199 -7.61471 5.17635 18.1814 52.0199 18.1813 6.3073 GPRESSAVG: 3210400 -2.32128 -9.60694 52.1322 -4.52857 3.51289 18.9331 50.2533 19.7128 6.72564 TIMING: 3210400 CPU: 10031.7, 0.00312725/step Wall: 10031.7, 0.00312725/step, 1.55459 hours remaining, 233.906250 MB of memory in use. ENERGY: 3210400 4024.9768 20403.8939 14467.2239 232.3914 -203609.7504 2891.8200 0.0000 0.0000 52154.9470 -109434.4972 299.7352 -161589.4443 -109066.4760 299.0227 -193.8717 -169.5002 763980.7983 2.6244 2.6391 PRESSURE: 3210600 -264.199 -133.674 36.4064 -133.674 -234.005 -345.319 36.4065 -345.319 -252.149 GPRESSURE: 3210600 -205.639 -237.118 21.0753 -42.0859 -279.25 -340.213 -60.7646 -284.833 -173.771 PRESSAVG: 3210600 31.2745 -39.9745 -7.41794 -39.9745 -14.0445 -28.0986 -7.41798 -28.0987 -23.6002 GPRESSAVG: 3210600 30.6896 -37.571 -7.64844 -41.3447 -11.9837 -27.5954 -6.58782 -30.0191 -24.2677 TIMING: 3210600 CPU: 10032.3, 0.00314533/step Wall: 10032.3, 0.00314533/step, 1.5634 hours remaining, 233.906250 MB of memory in use. ENERGY: 3210600 4023.7806 20545.8108 14477.0369 263.4052 -202880.2212 2376.3754 0.0000 0.0000 52017.5011 -109176.3112 298.9453 -161193.8123 -108806.6952 299.2321 -250.1176 -219.5534 762793.1374 -2.1234 -1.8539 PRESSURE: 3210800 310.14 -38.021 -209.318 -38.021 295.778 81.1149 -209.317 81.1147 96.9772 GPRESSURE: 3210800 342.708 37.0184 -183.249 -131.631 292.165 116.818 -154.124 130.108 161.347 PRESSAVG: 3210800 20.2445 -27.8384 39.9138 -27.8383 8.19669 1.1413 39.9137 1.14129 3.59485 GPRESSAVG: 3210800 20.3086 -26.9365 38.691 -28.0901 7.26023 1.02962 40.3562 3.01569 4.60941 TIMING: 3210800 CPU: 10032.9, 0.00314199/step Wall: 10032.9, 0.00314199/step, 1.56157 hours remaining, 233.906250 MB of memory in use. ENERGY: 3210800 3966.5434 20515.2256 14463.8975 238.9428 -203287.9329 2796.4943 0.0000 0.0000 52218.2691 -109088.5602 300.0991 -161306.8293 -108719.2382 299.4612 234.2983 265.4069 762281.7254 10.6787 10.7261 PRESSURE: 3211000 -51.6411 72.2892 -280.537 72.2896 -95.5363 -108.249 -280.537 -108.248 -117.284 GPRESSURE: 3211000 -67.306 124.422 -228.814 11.1342 -20.1096 -75.4328 -156.854 2.41908 -87.5192 PRESSAVG: 3211000 7.76875 17.667 4.63253 17.667 -17.1113 39.9473 4.63254 39.9472 5.16373 GPRESSAVG: 3211000 7.76943 16.4636 5.02098 17.1448 -16.9498 40.5797 6.06697 37.9226 4.77553 TIMING: 3211000 CPU: 10033.6, 0.00312254/step Wall: 10033.6, 0.00312254/step, 1.55173 hours remaining, 233.906250 MB of memory in use. ENERGY: 3211000 4056.8778 20320.4634 14440.1728 267.1319 -203428.8050 2769.6655 0.0000 0.0000 52203.3255 -109371.1682 300.0132 -161574.4937 -109010.6641 298.9939 -88.1537 -58.3116 763092.4684 -1.3929 -1.4683 PRESSURE: 3211200 351.863 -47.4982 -139.269 -47.4981 148.187 173.64 -139.269 173.64 100.424 GPRESSURE: 3211200 330.511 -20.2103 -66.5284 11.4751 330.345 158.512 -52.4478 120.717 22.66 PRESSAVG: 3211200 -33.3308 23.8875 48.4492 23.8875 40.7297 -3.82172 48.4492 -3.8217 36.4335 GPRESSAVG: 3211200 -34.5047 24.8497 50.4161 24.1019 42.7237 -6.3565 47.5715 -3.19669 35.5155 TIMING: 3211200 CPU: 10034.2, 0.00312195/step Wall: 10034.2, 0.00312195/step, 1.55126 hours remaining, 233.906250 MB of memory in use. ENERGY: 3211200 3955.2993 20484.3928 14484.7003 243.6530 -203462.5147 2908.0521 0.0000 0.0000 52148.1261 -109238.2911 299.6960 -161386.4173 -108888.6484 298.8225 200.1580 227.8384 761657.3659 14.6108 14.5782 PRESSURE: 3211400 14.357 18.7753 -9.34978 18.7759 43.4273 111.763 -9.34993 111.763 130.999 GPRESSURE: 3211400 99.4848 88.1123 -32.925 -58.959 32.2869 157.405 -1.46599 94.0305 157.028 PRESSAVG: 3211400 -26.5725 -1.70687 18.8837 -1.70695 53.5835 -29.0645 18.8836 -29.0645 -14.6054 GPRESSAVG: 3211400 -26.5284 -1.55255 18.4218 -1.70107 52.1146 -28.5463 19.1451 -28.3886 -12.8658 TIMING: 3211400 CPU: 10034.8, 0.00314304/step Wall: 10034.8, 0.00314304/step, 1.56157 hours remaining, 233.906250 MB of memory in use. ENERGY: 3211400 3975.9808 20588.2064 14439.2359 226.3250 -203580.7527 2913.2606 0.0000 0.0000 52361.6421 -109076.1019 300.9231 -161437.7441 -108720.6701 299.2480 62.9276 96.2665 760748.6457 4.1352 4.2401 PRESSURE: 3211600 108.79 111.824 -62.6147 111.823 237.372 -237.767 -62.6148 -237.766 285.497 GPRESSURE: 3211600 163.8 91.135 0.294211 145.35 269.809 -218.181 -115.202 -266.664 293.71 PRESSAVG: 3211600 2.34681 -2.4701 12.7093 -2.47004 22.2984 24.632 12.7093 24.632 -2.284 GPRESSAVG: 3211600 2.74151 -4.53793 10.9963 -1.21225 22.2384 27.2532 11.1622 23.9456 -2.421 TIMING: 3211600 CPU: 10035.4, 0.00316843/step Wall: 10035.4, 0.00316843/step, 1.57401 hours remaining, 233.906250 MB of memory in use. ENERGY: 3211600 3939.7401 20479.4931 14416.1995 248.2066 -203540.4100 3154.7489 0.0000 0.0000 52098.7330 -109203.2887 299.4121 -161302.0217 -108842.6540 299.5393 210.5532 242.4399 762684.9334 7.4537 7.5196 PRESSURE: 3211800 -175.078 -167.492 -212.695 -167.492 507.422 80.7862 -212.695 80.7859 32.3437 GPRESSURE: 3211800 -112.585 -311.313 -177.131 -83.7323 456.246 146.223 -162.464 168.775 82.3225 PRESSAVG: 3211800 -15.7046 -22.6655 31.5435 -22.6655 62.795 -30.7421 31.5435 -30.7421 -24.0287 GPRESSAVG: 3211800 -15.3235 -21.7068 32.1271 -24.2571 63.4702 -31.7862 31.2259 -30.0733 -24.9159 TIMING: 3211800 CPU: 10036.1, 0.00315305/step Wall: 10036.1, 0.00315305/step, 1.56619 hours remaining, 233.906250 MB of memory in use. ENERGY: 3211800 3908.4671 20505.4834 14455.6761 257.2193 -203419.0592 2742.1648 0.0000 0.0000 52237.3230 -109312.7254 300.2086 -161550.0484 -108945.8453 299.3083 121.5626 141.9947 762096.3467 7.6872 7.7436 PRESSURE: 3212000 -180.993 -37.7054 -13.7394 -37.7056 -103.107 -135.51 -13.7394 -135.509 -132.176 GPRESSURE: 3212000 -116.381 -22.2388 47.6898 -49.2571 -108.925 -86.879 -46.1708 -145.173 -106.873 PRESSAVG: 3212000 -9.45009 17.9681 -21.2765 17.9681 24.5792 -11.7475 -21.2766 -11.7474 -13.2186 GPRESSAVG: 3212000 -9.60662 16.0776 -20.4204 21.5643 24.3033 -10.7739 -20.6025 -12.7616 -12.8293 TIMING: 3212000 CPU: 10036.7, 0.00314451/step Wall: 10036.7, 0.00314451/step, 1.56177 hours remaining, 233.906250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3212000 4022.7172 20633.2113 14418.7182 245.9321 -203386.7868 2871.0628 0.0000 0.0000 51960.0060 -109235.1392 298.6149 -161195.1452 -108870.2285 299.3784 -138.7589 -110.7264 764372.7892 0.6368 0.6225 PRESSURE: 3212200 67.0686 -56.357 -89.0957 -56.3577 -23.269 93.4661 -89.0955 93.4667 -310.986 GPRESSURE: 3212200 -61.9606 -198.83 -59.5919 -112.35 122.396 -20.3528 -73.6695 38.1771 -232.592 PRESSAVG: 3212200 -23.5748 -16.4172 -15.6254 -16.4172 21.5599 40.8189 -15.6255 40.8189 -12.7799 GPRESSAVG: 3212200 -24.1096 -13.3645 -16.7949 -19.7649 21.838 40.7765 -14.5389 40.9459 -12.6169 TIMING: 3212200 CPU: 10037.3, 0.00315811/step Wall: 10037.3, 0.00315811/step, 1.56835 hours remaining, 233.906250 MB of memory in use. ENERGY: 3212200 4005.0033 20683.4115 14467.3537 249.7475 -203253.8285 2906.9578 0.0000 0.0000 51907.9288 -109033.4260 298.3156 -160941.3547 -108673.8808 299.3828 -89.0622 -57.3853 764995.2870 -4.9316 -4.9628 LDB: ============= START OF LOAD BALANCING ============== 10049.8 LDB: ============== END OF LOAD BALANCING =============== 10049.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10049.8 LDB: ============= START OF LOAD BALANCING ============== 10050.1 LDB: Largest compute 7007 load 0.030419 is 15.6% of average load 0.195176 LDB: Average compute 0.004380 is 2.2% of average load 0.195176 LDB: TIME 10050.1 LOAD: AVG 0.195176 MAX 0.217092 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.359 MB LDB: TIME 10050.1 LOAD: AVG 0.195176 MAX 0.217092 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.359 MB LDB: TIME 10050.1 LOAD: AVG 0.195176 MAX 0.217092 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.359 MB LDB: ============== END OF LOAD BALANCING =============== 10050.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10050.1 PRESSURE: 3212400 -129.992 -15.4593 -212.578 -15.4596 373.012 46.5987 -212.578 46.5995 119.313 GPRESSURE: 3212400 -63.8407 79.6496 -255.675 -15.779 392.205 18.0555 -268.027 -54.0388 124.658 PRESSAVG: 3212400 -16.5087 -13.7044 -29.4012 -13.7043 58.9743 37.2739 -29.4013 37.2738 3.3979 GPRESSAVG: 3212400 -16.8388 -14.658 -28.0399 -13.6666 59.0903 36.8293 -29.6543 36.0657 3.24975 TIMING: 3212400 CPU: 10038, 0.00322842/step Wall: 10038, 0.00322842/step, 1.60309 hours remaining, 234.253906 MB of memory in use. ENERGY: 3212400 3941.0909 20568.5865 14470.8592 255.4808 -203587.1774 2972.3100 0.0000 0.0000 52320.8383 -109058.0117 300.6886 -161378.8500 -108691.4654 299.6446 120.7777 151.0075 763534.3148 15.2878 15.1671 PRESSURE: 3212600 -392.752 103.666 -43.0403 103.666 -113.647 -56.293 -43.0411 -56.2926 -91.3611 GPRESSURE: 3212600 -364.403 76.4146 74.7387 224.134 -13.6407 -50.5578 -93.0946 -128.766 -147.809 PRESSAVG: 3212600 3.82175 43.0715 10.4839 43.0715 22.5972 46.5852 10.4839 46.5851 13.791 GPRESSAVG: 3212600 4.5091 43.9287 10.8048 43.6288 23.0138 46.8668 9.23216 47.0878 12.8428 TIMING: 3212600 CPU: 10038.6, 0.00313075/step Wall: 10038.6, 0.00313075/step, 1.55442 hours remaining, 234.253906 MB of memory in use. ENERGY: 3212600 4001.7717 20479.1404 14504.1702 247.2443 -203109.8214 2491.3046 0.0000 0.0000 52203.8608 -109182.3292 300.0163 -161386.1900 -108819.9561 299.8300 -199.2534 -175.2842 764256.2223 13.4033 13.4552 PRESSURE: 3212800 160.857 0.062919 2.27202 0.0621112 -438.452 202.431 2.27143 202.43 33.5751 GPRESSURE: 3212800 219.137 31.3491 10.7034 -63.2347 -407.989 114.456 -23.6767 270.86 60.2067 PRESSAVG: 3212800 49.8738 -4.53979 20.9427 -4.53985 -25.0135 -4.10562 20.9426 -4.10566 -12.3893 GPRESSAVG: 3212800 50.7622 -5.32519 20.6229 -5.28851 -26.9769 -3.83062 21.6754 -2.58879 -11.3565 TIMING: 3212800 CPU: 10039.2, 0.00313693/step Wall: 10039.2, 0.00313693/step, 1.55731 hours remaining, 234.253906 MB of memory in use. ENERGY: 3212800 4010.3349 20536.8979 14479.2610 252.8935 -203072.8347 2618.8377 0.0000 0.0000 52087.2116 -109087.3980 299.3459 -161174.6096 -108727.6623 299.8321 -81.3400 -42.8817 764125.4075 4.1570 4.1429 PRESSURE: 3213000 -39.0025 49.2378 -1.93777 49.2376 -164.192 -128.726 -1.93808 -128.727 568.528 GPRESSURE: 3213000 -25.9518 25.433 -1.57412 59.1482 -85.2446 -87.8107 68.7915 -141.949 554.791 PRESSAVG: 3213000 24.4493 31.9283 6.7469 31.9283 -19.1624 25.3809 6.7469 25.3809 31.0052 GPRESSAVG: 3213000 23.454 31.7221 6.94556 32.6142 -18.1512 25.4373 7.57785 24.8481 31.0859 TIMING: 3213000 CPU: 10039.9, 0.0031119/step Wall: 10039.9, 0.0031119/step, 1.54471 hours remaining, 234.253906 MB of memory in use. ENERGY: 3213000 4006.8877 20646.2791 14352.0885 245.4996 -203300.3357 2761.5030 0.0000 0.0000 52062.2378 -109225.8400 299.2024 -161288.0778 -108872.7347 299.2700 121.7779 147.8648 763055.7596 12.0973 12.1296 PRESSURE: 3213200 104.723 8.51869 274.45 8.5182 245.553 127.063 274.451 127.064 221.549 GPRESSURE: 3213200 173.833 -30.7559 186.842 38.1639 263.394 172.398 162.623 144.382 212.53 PRESSAVG: 3213200 63.4693 72.6033 -24.481 72.6033 -17.1226 50.7654 -24.4809 50.7653 2.28685 GPRESSAVG: 3213200 64.7372 70.6321 -26.4719 72.5255 -18.1047 50.4318 -24.9732 48.3674 2.10149 TIMING: 3213200 CPU: 10040.5, 0.00311318/step Wall: 10040.5, 0.00311318/step, 1.54518 hours remaining, 234.253906 MB of memory in use. ENERGY: 3213200 4104.4964 20493.9017 14540.2329 256.2293 -203930.1059 3064.4491 0.0000 0.0000 52114.1177 -109356.6787 299.5006 -161470.7964 -108987.5795 299.7931 190.6084 216.5855 762908.5368 16.2112 16.2447 PRESSURE: 3213400 -72.3539 -32.3823 -153.814 -32.382 260.595 12.545 -153.815 12.5441 -45.1805 GPRESSURE: 3213400 -44.0191 8.82215 -57.1636 -36.8629 276.273 -18.3793 -11.4994 79.0975 -16.1363 PRESSAVG: 3213400 -5.22398 103.908 -42.8048 103.908 25.6152 -0.830976 -42.8048 -0.831017 -6.51619 GPRESSAVG: 3213400 -6.97266 106.792 -42.1243 103.526 25.5348 -1.51027 -42.0063 1.39188 -5.60237 TIMING: 3213400 CPU: 10041.1, 0.00311198/step Wall: 10041.1, 0.00311198/step, 1.54441 hours remaining, 234.253906 MB of memory in use. ENERGY: 3213400 3963.7886 20627.0777 14448.1477 251.5008 -203525.4386 2882.4466 0.0000 0.0000 51923.1770 -109429.3002 298.4032 -161352.4772 -109071.3474 299.3280 47.6869 72.0391 762648.7973 4.6250 4.3199 PRESSURE: 3213600 166.768 269.324 -98.3736 269.323 65.8978 -302.276 -98.3731 -302.275 78.3495 GPRESSURE: 3213600 122.61 180.5 -154.475 285.315 185.751 -232.7 25.8794 -279.294 82.3683 PRESSAVG: 3213600 1.45702 39.1163 -18.2185 39.1163 -2.16638 -38.8311 -18.2185 -38.831 -2.60382 GPRESSAVG: 3213600 0.43187 40.7762 -19.9962 38.6048 0.306477 -37.4876 -18.7163 -37.5031 -3.4055 TIMING: 3213600 CPU: 10041.7, 0.00313834/step Wall: 10041.7, 0.00313834/step, 1.55732 hours remaining, 234.253906 MB of memory in use. ENERGY: 3213600 4021.3692 20543.1376 14408.9336 241.2048 -203607.5197 3057.5858 0.0000 0.0000 51951.6952 -109383.5936 298.5671 -161335.2887 -109014.0324 298.9347 103.6718 130.2429 762136.3827 -1.1044 -0.8891 PRESSURE: 3213800 -17.4304 37.957 -227.045 37.9559 -1.31955 264.751 -227.045 264.751 186.39 GPRESSURE: 3213800 140.264 -25.6696 -213.041 67.2691 -12.5496 265.717 -216.72 329.044 123.224 PRESSAVG: 3213800 4.38459 26.6669 -13.2634 26.6669 17.0432 0.100058 -13.2634 0.100092 -11.7898 GPRESSAVG: 3213800 5.12405 23.4665 -12.2137 26.6124 16.873 -0.765422 -13.1496 -1.09866 -12.4388 TIMING: 3213800 CPU: 10042.4, 0.00316067/step Wall: 10042.4, 0.00316067/step, 1.56822 hours remaining, 234.253906 MB of memory in use. ENERGY: 3213800 4000.1323 20596.2019 14425.2534 234.4317 -203609.7801 2991.0205 0.0000 0.0000 52139.6769 -109223.0635 299.6474 -161362.7403 -108858.5668 299.5435 55.8799 83.6461 760915.0801 3.2127 3.1861 PRESSURE: 3214000 -218.55 37.6093 182.838 37.609 -388.403 68.0845 182.838 68.085 -329.479 GPRESSURE: 3214000 -180.501 -78.9673 220.634 90.7964 -310.524 80.0051 166.326 136.527 -352.07 PRESSAVG: 3214000 22.5242 12.2905 19.6388 12.2905 -0.928492 -48.191 19.6389 -48.191 -8.25187 GPRESSAVG: 3214000 23.1656 12.1549 20.7711 14.7007 -1.75146 -47.3623 19.1107 -48.2377 -7.83838 TIMING: 3214000 CPU: 10043, 0.00313062/step Wall: 10043, 0.00313062/step, 1.55314 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3214000 4016.2523 20514.6027 14444.5285 268.7919 -203344.6111 2612.2422 0.0000 0.0000 52211.2824 -109276.9111 300.0590 -161488.1935 -108915.6622 299.3379 -312.1441 -281.0318 763492.6924 4.4479 4.5253 PRESSURE: 3214200 -172.736 15.3028 -252.518 15.303 181.56 182.591 -252.518 182.591 189.069 GPRESSURE: 3214200 -41.8389 78.0128 -231.594 -70.2124 167.557 200.833 -249.567 16.4191 149.898 PRESSAVG: 3214200 -54.2371 2.81023 -13.0954 2.81013 66.6139 2.74654 -13.0954 2.74645 3.00803 GPRESSAVG: 3214200 -53.8339 4.06711 -12.2001 0.309931 67.7471 1.22186 -11.958 1.45539 1.44498 TIMING: 3214200 CPU: 10043.6, 0.00310643/step Wall: 10043.6, 0.00310643/step, 1.54096 hours remaining, 234.253906 MB of memory in use. ENERGY: 3214200 3910.8488 20483.8628 14414.6529 236.8988 -203322.2515 2795.5822 0.0000 0.0000 52098.0711 -109382.3349 299.4083 -161480.4060 -109020.6075 298.5655 65.9645 91.8722 762810.5783 5.1283 5.1194 PRESSURE: 3214400 -243.519 -154.161 -155.347 -154.161 230.771 20.8819 -155.347 20.8814 -446.093 GPRESSURE: 3214400 -145.58 -52.8342 -162.895 -185.702 168.086 -39.0121 -152.922 114.073 -408.313 PRESSAVG: 3214400 -14.522 26.7673 -44.4888 26.7672 8.04164 57.3532 -44.4888 57.3532 27.4968 GPRESSAVG: 3214400 -14.7547 24.9359 -45.982 27.178 5.92943 58.9266 -44.4013 59.944 28.9816 TIMING: 3214400 CPU: 10044.2, 0.00313028/step Wall: 10044.2, 0.00313028/step, 1.55262 hours remaining, 234.253906 MB of memory in use. ENERGY: 3214400 3960.9862 20699.5615 14430.7695 223.1562 -203136.7572 2486.7253 0.0000 0.0000 51917.3227 -109418.2358 298.3696 -161335.5586 -109054.4379 298.9228 -152.9472 -128.6023 760565.6848 7.0055 6.7188 PRESSURE: 3214600 309.167 50.2661 18.5125 50.2664 123.575 162.965 18.5123 162.965 -30.2336 GPRESSURE: 3214600 371.905 6.05114 30.0113 -2.58091 163.681 117.529 103.463 48.883 -37.0023 PRESSAVG: 3214600 -2.45072 13.4119 -41.0128 13.4118 20.1605 9.1251 -41.0129 9.12505 -8.63565 GPRESSAVG: 3214600 -2.44839 13.6207 -40.7817 12.688 20.5741 7.92111 -41.7816 8.47089 -9.45441 TIMING: 3214600 CPU: 10044.9, 0.00313289/step Wall: 10044.9, 0.00313289/step, 1.55374 hours remaining, 234.253906 MB of memory in use. ENERGY: 3214600 3915.2505 20379.4220 14475.3899 232.5781 -203767.1918 3069.6798 0.0000 0.0000 52176.2843 -109518.5872 299.8578 -161694.8716 -109164.9610 299.1245 134.1693 166.1945 762350.8556 3.0247 2.8905 PRESSURE: 3214800 -42.2116 -21.336 104.047 -21.3357 -61.9895 -300.369 104.048 -300.37 79.5817 GPRESSURE: 3214800 -59.7754 33.7741 85.0981 -43.1884 44.8451 -330.312 100.078 -144.225 84.2943 PRESSAVG: 3214800 1.56621 6.93009 -21.8885 6.93009 -50.4906 -64.3227 -21.8884 -64.3226 9.31995 GPRESSAVG: 3214800 0.918566 6.95544 -21.2711 8.93603 -49.0633 -65.6668 -23.9426 -62.4055 9.44511 TIMING: 3214800 CPU: 10045.5, 0.00311644/step Wall: 10045.5, 0.00311644/step, 1.54541 hours remaining, 234.253906 MB of memory in use. ENERGY: 3214800 3968.2657 20529.3956 14460.0377 244.0790 -203197.8355 2638.4960 0.0000 0.0000 51800.6859 -109556.8756 297.6993 -161357.5615 -109199.5464 298.6746 -8.2064 23.1213 761821.5388 -13.2015 -12.8999 PRESSURE: 3215000 -132.798 59.6458 -54.2367 59.6468 -120.292 118.507 -54.2371 118.507 -163.868 GPRESSURE: 3215000 -117.718 85.8795 -62.6222 42.5148 -28.5715 114.347 77.2186 -5.52759 -175.276 PRESSAVG: 3215000 -48.4358 79.4051 11.1501 79.4052 47.1171 7.97876 11.1501 7.97872 4.53426 GPRESSAVG: 3215000 -48.279 79.4757 11.4373 77.6249 46.2321 9.73126 15.5533 4.98499 5.05922 TIMING: 3215000 CPU: 10046.1, 0.00313577/step Wall: 10046.1, 0.00313577/step, 1.55482 hours remaining, 234.253906 MB of memory in use. ENERGY: 3215000 4007.3035 20507.8653 14420.0082 233.3724 -202952.4504 2528.0138 0.0000 0.0000 51753.8071 -109502.0803 297.4298 -161255.8874 -109143.7953 298.3857 -138.9860 -107.1887 763313.5325 1.0719 1.0041 PRESSURE: 3215200 46.3973 2.88654 -54.3706 2.88644 73.5454 75.7284 -54.3706 75.7279 34.9162 GPRESSURE: 3215200 131.925 49.2834 -156.368 42.3486 24.0468 77.527 30.7403 218.848 86.489 PRESSAVG: 3215200 -43.718 55.7951 -33.2381 55.7951 6.2049 -0.098919 -33.2381 -0.0988998 -12.6089 GPRESSAVG: 3215200 -43.6031 55.2088 -34.5556 56.6802 6.7042 0.285014 -33.9353 0.859986 -13.6516 TIMING: 3215200 CPU: 10046.7, 0.0031016/step Wall: 10046.7, 0.0031016/step, 1.5377 hours remaining, 234.253906 MB of memory in use. ENERGY: 3215200 3968.1554 20409.9788 14505.0382 240.3309 -202982.9855 2581.6803 0.0000 0.0000 51729.1178 -109548.6840 297.2880 -161277.8018 -109193.8482 298.1933 51.6196 80.8203 762716.3497 -16.7073 -16.8502 PRESSURE: 3215400 -61.958 19.2839 89.7605 19.2834 204.12 -229.678 89.7599 -229.679 37.8139 GPRESSURE: 3215400 -1.30706 26.336 41.8582 21.4882 212.107 -174.669 151.096 -123.396 68.4684 PRESSAVG: 3215400 -24.1151 69.1716 -17.0579 69.1715 67.8621 41.184 -17.058 41.1839 23.7953 GPRESSAVG: 3215400 -25.1016 71.1766 -17.2167 69.187 68.3638 40.9963 -17.2102 43.146 23.9004 TIMING: 3215400 CPU: 10047.4, 0.00314904/step Wall: 10047.4, 0.00314904/step, 1.56105 hours remaining, 234.253906 MB of memory in use. ENERGY: 3215400 3985.4580 20310.7909 14489.6306 242.4018 -202967.4033 2645.2755 0.0000 0.0000 51811.6395 -109482.2070 297.7622 -161293.8465 -109112.6834 298.4515 59.9919 93.0896 761614.8986 22.5141 22.3875 PRESSURE: 3215600 -221.573 275.172 -8.0639 275.171 -118.337 138.487 -8.06429 138.487 203.507 GPRESSURE: 3215600 -166.719 279.214 -13.8662 255.524 -116.795 107.394 91.145 -16.926 241.063 PRESSAVG: 3215600 -21.0918 72.9456 -18.3452 72.9455 27.8816 17.577 -18.3453 17.577 -6.09594 GPRESSAVG: 3215600 -21.146 74.081 -17.7385 71.2885 27.7431 17.0184 -19.445 16.0163 -5.97422 TIMING: 3215600 CPU: 10048, 0.00314178/step Wall: 10048, 0.00314178/step, 1.55727 hours remaining, 234.253906 MB of memory in use. ENERGY: 3215600 3933.9972 20611.3734 14443.3312 243.8121 -203403.6379 2721.1455 0.0000 0.0000 52113.6163 -109336.3622 299.4977 -161449.9785 -108983.2262 298.7577 -45.4679 -14.1503 762861.1965 0.2313 0.2076 PRESSURE: 3215800 259.399 87.415 30.9859 87.415 -97.1718 -182.182 30.9854 -182.181 -274.92 GPRESSURE: 3215800 190.492 95.4374 5.12422 2.88562 30.4168 -129.467 -43.2995 -133.1 -262.817 PRESSAVG: 3215800 26.1862 82.7246 44.0838 82.7246 -18.1037 -4.30667 44.0839 -4.30662 11.0769 GPRESSAVG: 3215800 25.4228 81.8466 42.6312 82.2146 -17.8537 -3.85961 44.6005 -4.56626 11.0893 TIMING: 3215800 CPU: 10048.6, 0.00313098/step Wall: 10048.6, 0.00313098/step, 1.55175 hours remaining, 234.253906 MB of memory in use. ENERGY: 3215800 4000.0670 20440.4976 14437.1865 251.5974 -203263.1595 2853.4883 0.0000 0.0000 52151.8249 -109128.4978 299.7173 -161280.3227 -108767.2310 299.6787 -37.5644 -13.9695 763043.9289 6.3865 6.2194 PRESSURE: 3216000 -57.8077 112.443 210.81 112.443 113.911 172.073 210.81 172.073 388.421 GPRESSURE: 3216000 -21.1968 71.9224 327.374 122.247 128.679 134.215 206.637 -17.7486 415.596 PRESSAVG: 3216000 30.6217 4.92533 13.7212 4.9253 -0.267468 -10.4294 13.7213 -10.4296 0.525365 GPRESSAVG: 3216000 31.1897 3.1035 15.8235 8.18668 -1.55884 -10.2013 12.3761 -9.91675 1.0725 TIMING: 3216000 CPU: 10049.2, 0.00311905/step Wall: 10049.2, 0.00311905/step, 1.54566 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3216000 4022.9783 20515.6694 14518.2521 261.8073 -203856.3321 3066.8308 0.0000 0.0000 52179.0237 -109291.7704 299.8736 -161470.7941 -108932.0510 299.5880 148.1748 174.3594 761139.9105 10.2932 10.2344 PRESSURE: 3216200 73.6347 -190.072 -52.1065 -190.071 -12.1857 -211.244 -52.1075 -211.245 146.754 GPRESSURE: 3216200 83.2918 -161.986 -0.778147 -122.994 16.4933 -171.771 48.6712 -183.39 188.438 PRESSAVG: 3216200 -75.176 19.1863 67.2337 19.1863 19.623 1.59398 67.2337 1.594 8.84704 GPRESSAVG: 3216200 -73.2103 20.2871 67.4619 16.6494 19.3368 1.7799 71.1521 -0.849356 8.15019 TIMING: 3216200 CPU: 10049.9, 0.00313691/step Wall: 10049.9, 0.00313691/step, 1.55434 hours remaining, 234.253906 MB of memory in use. ENERGY: 3216200 3929.6226 20497.9595 14444.4243 251.0328 -203398.4655 2857.9364 0.0000 0.0000 52180.7459 -109236.7440 299.8835 -161417.4898 -108870.8924 299.3225 69.4011 96.0743 763852.3481 -15.5687 -15.2411 LDB: ============= START OF LOAD BALANCING ============== 10062.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10062.3 LDB: =============== DONE WITH MIGRATION ================ 10062.3 LDB: ============= START OF LOAD BALANCING ============== 10062.7 LDB: Largest compute 7007 load 0.031840 is 16.3% of average load 0.195131 LDB: Average compute 0.004386 is 2.2% of average load 0.195131 LDB: TIME 10062.7 LOAD: AVG 0.195131 MAX 0.21397 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.562 MB LDB: TIME 10062.7 LOAD: AVG 0.195131 MAX 0.21397 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.605 MB LDB: TIME 10062.7 LOAD: AVG 0.195131 MAX 0.21397 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.605 MB LDB: ============== END OF LOAD BALANCING =============== 10062.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10062.7 PRESSURE: 3216400 -24.2124 -112.705 48.2359 -112.706 26.4819 135.478 48.2364 135.478 -306.696 GPRESSURE: 3216400 26.4294 -114.534 31.7036 -102.787 103.739 223.967 96.9866 220.286 -339.128 PRESSAVG: 3216400 -43.8778 -24.3324 17.6126 -24.3324 24.2379 52.8499 17.6126 52.85 -5.17753 GPRESSAVG: 3216400 -45.7196 -25.034 17.2318 -21.3569 25.4127 51.4352 13.8892 57.0681 -4.45749 TIMING: 3216400 CPU: 10050.5, 0.00319813/step Wall: 10050.5, 0.00319813/step, 1.5845 hours remaining, 235.265625 MB of memory in use. ENERGY: 3216400 4061.0151 20522.7511 14482.3998 253.0192 -204033.0522 3184.6319 0.0000 0.0000 52192.5868 -109336.6483 299.9515 -161529.2351 -108983.2281 299.6343 -101.4754 -69.6531 763215.3519 -8.2725 -8.2548 PRESSURE: 3216600 -185.389 363.201 -136.079 363.202 -227.982 145.47 -136.079 145.471 -475.722 GPRESSURE: 3216600 -155.78 428.399 -105.905 424.647 -160.145 1.12671 -158.937 98.8307 -500.039 PRESSAVG: 3216600 -53.7045 13.5737 -0.0924611 13.5737 24.3939 48.0418 -0.0924696 48.0419 -0.197783 GPRESSAVG: 3216600 -52.1015 13.3323 0.109314 11.6918 23.8829 49.2297 0.720166 46.5434 -1.21935 TIMING: 3216600 CPU: 10051.1, 0.00311954/step Wall: 10051.1, 0.00311954/step, 1.54539 hours remaining, 235.464844 MB of memory in use. ENERGY: 3216600 3984.8843 20422.8129 14480.5328 261.7134 -203098.6123 2655.4380 0.0000 0.0000 51825.5453 -109467.6856 297.8421 -161293.2309 -109101.9535 298.8306 -296.3643 -271.9882 762781.3231 -9.8361 -9.8126 PRESSURE: 3216800 -168.823 170.618 60.3112 170.618 -201.441 22.4461 60.3106 22.4456 -82.6853 GPRESSURE: 3216800 -158.224 146.081 22.7408 234.076 -114.502 -0.0844663 -11.9699 28.1394 -90.9622 PRESSAVG: 3216800 -33.2271 39.2019 -28.842 39.2019 45.6133 3.84355 -28.8421 3.84355 10.2657 GPRESSAVG: 3216800 -33.5294 39.83 -28.7999 39.7752 46.1182 2.91852 -29.4458 4.49349 10.3582 TIMING: 3216800 CPU: 10051.7, 0.00311325/step Wall: 10051.7, 0.00311325/step, 1.54209 hours remaining, 235.464844 MB of memory in use. ENERGY: 3216800 3958.2583 20232.4843 14444.8318 234.3956 -203474.6914 2946.0516 0.0000 0.0000 52033.1265 -109625.5433 299.0351 -161658.6698 -109268.0432 298.3408 -150.9831 -121.2296 763449.9970 7.5507 7.6490 PRESSURE: 3217000 148.67 76.6388 93.277 76.6389 179.611 -79.1528 93.2765 -79.152 91.7004 GPRESSURE: 3217000 158.52 18.0331 6.74145 -10.8743 203.51 -169.325 -2.93163 54.8448 137.792 PRESSAVG: 3217000 -71.7937 -9.54168 -33.2422 -9.54166 8.94756 10.2932 -33.2422 10.2933 -15.647 GPRESSAVG: 3217000 -72.4809 -10.56 -33.49 -9.45243 7.90015 10.1993 -34.2673 9.77108 -13.8224 TIMING: 3217000 CPU: 10052.4, 0.00312402/step Wall: 10052.4, 0.00312402/step, 1.54726 hours remaining, 235.464844 MB of memory in use. ENERGY: 3217000 3978.5522 20383.3100 14489.0845 247.4207 -203382.5449 2870.4415 0.0000 0.0000 51720.6973 -109693.0387 297.2396 -161413.7360 -109334.3094 298.0912 139.9937 166.6072 763085.2893 -26.1644 -26.1344 PRESSURE: 3217200 -143.969 -86.417 -103.105 -86.4164 -164.94 -18.5702 -103.105 -18.5689 -195.033 GPRESSURE: 3217200 -112.163 -50.2413 -100.757 -96.8919 -21.2657 72.3344 -131.944 -5.29252 -279.536 PRESSAVG: 3217200 -51.3234 48.064 -6.48903 48.064 77.7273 -15.1348 -6.48904 -15.1347 15.8998 GPRESSAVG: 3217200 -51.0058 49.2422 -7.53246 47.5055 79.6151 -13.4609 -5.86637 -16.9174 13.9632 TIMING: 3217200 CPU: 10053, 0.00311002/step Wall: 10053, 0.00311002/step, 1.54015 hours remaining, 235.464844 MB of memory in use. ENERGY: 3217200 3974.3574 20306.9272 14514.1227 250.7499 -203930.0249 3282.8596 0.0000 0.0000 52132.4477 -109468.5604 299.6059 -161601.0082 -109111.1411 298.0959 -167.9808 -137.6549 763285.8294 14.1012 14.1908 PRESSURE: 3217400 -104.533 87.2646 -8.69676 87.2638 -80.4873 322.935 -8.69635 322.935 -120.713 GPRESSURE: 3217400 -68.908 -4.4925 -19.2661 147.955 -31.6927 421.499 25.1885 262.177 -116.404 PRESSAVG: 3217400 23.7826 5.32738 -28.7428 5.32735 -41.6818 -21.8558 -28.7428 -21.8558 -3.87359 GPRESSAVG: 3217400 23.7591 6.57772 -29.2749 4.34612 -43.7376 -20.6224 -27.9534 -22.4919 -1.80162 TIMING: 3217400 CPU: 10053.6, 0.0031065/step Wall: 10053.6, 0.0031065/step, 1.53824 hours remaining, 235.464844 MB of memory in use. ENERGY: 3217400 3982.1007 20384.8442 14465.4438 241.8884 -203058.4653 2590.1248 0.0000 0.0000 52092.5477 -109301.5157 299.3766 -161394.0635 -108926.9918 298.7529 -101.9110 -72.3348 763009.5577 -7.2576 -7.2600 PRESSURE: 3217600 64.8272 152.472 -138.126 152.472 -93.5131 -76.2116 -138.126 -76.2103 374.471 GPRESSURE: 3217600 124.155 45.1776 -85.0306 128.366 -43.0146 -128.663 -83.7629 -36.0545 341.106 PRESSAVG: 3217600 -4.56673 39.779 -65.973 39.7791 5.05843 18.8621 -65.973 18.8621 -2.26954 GPRESSAVG: 3217600 -4.11255 36.6975 -64.5321 41.6244 6.46051 17.082 -65.6379 17.8915 -3.46011 TIMING: 3217600 CPU: 10054.2, 0.00310992/step Wall: 10054.2, 0.00310992/step, 1.53976 hours remaining, 235.464844 MB of memory in use. ENERGY: 3217600 3947.4786 20590.1642 14472.4626 236.0908 -203664.9783 2971.2990 0.0000 0.0000 51986.6001 -109460.8830 298.7677 -161447.4831 -109107.4609 298.6624 115.2619 140.7491 764913.2800 -0.5926 -0.3707 PRESSURE: 3217800 -471.778 32.5063 197.874 32.5065 -187.839 -31.4092 197.874 -31.4099 100.808 GPRESSURE: 3217800 -402.604 -68.9986 202.21 79.9171 -114.557 -40.2707 70.6877 -45.0008 57.1411 PRESSAVG: 3217800 -31.2584 21.8766 38.7538 21.8766 -19.3834 5.43182 38.7538 5.43182 -25.4038 GPRESSAVG: 3217800 -31.5232 22.4161 35.4033 20.7983 -20.2925 4.2395 37.5474 8.44498 -25.1343 TIMING: 3217800 CPU: 10054.9, 0.00312978/step Wall: 10054.9, 0.00312978/step, 1.54941 hours remaining, 235.464844 MB of memory in use. ENERGY: 3217800 3958.4292 20323.4164 14510.2566 245.3236 -203419.8156 2997.4816 0.0000 0.0000 52011.2454 -109373.6628 298.9093 -161384.9081 -109004.4127 299.1265 -186.2698 -153.3400 763417.5598 -25.3485 -25.6500 PRESSURE: 3218000 -174.488 281.598 51.1262 281.599 -329.211 -1.60484 51.1251 -1.60491 -11.8284 GPRESSURE: 3218000 -118.733 202.265 37.8061 185.376 -269.885 -97.8347 115.714 -68.2935 -46.2397 PRESSAVG: 3218000 21.5727 80.9772 0.497052 80.9772 -16.4856 -22.1349 0.497079 -22.135 19.2935 GPRESSAVG: 3218000 21.1778 80.4917 2.72555 81.2811 -16.5182 -22.2663 1.35097 -22.0376 19.8267 TIMING: 3218000 CPU: 10055.5, 0.00311559/step Wall: 10055.5, 0.00311559/step, 1.54222 hours remaining, 235.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3218000 4023.9836 20451.1162 14586.8029 237.2272 -203591.2123 2964.7724 0.0000 0.0000 51981.0794 -109346.2307 298.7360 -161327.3101 -108975.6189 298.5837 -171.8425 -144.9526 765269.6139 8.1269 8.1621 PRESSURE: 3218200 -208.534 -188.227 183.038 -188.228 -205.164 -104.516 183.039 -104.517 -175.049 GPRESSURE: 3218200 -180.837 -155.187 73.0898 -89.2586 -113.719 -146.409 215.919 -60.4877 -217.193 PRESSAVG: 3218200 22.0713 18.1217 23.5606 18.1218 14.9263 -27.5452 23.5606 -27.5452 0.436306 GPRESSAVG: 3218200 21.9762 19.3438 23.416 19.9862 16.7441 -25.0825 21.8137 -29.0446 -1.03756 TIMING: 3218200 CPU: 10056.1, 0.00311236/step Wall: 10056.1, 0.00311236/step, 1.54044 hours remaining, 235.464844 MB of memory in use. ENERGY: 3218200 4018.5245 20519.8176 14592.4169 250.6834 -203329.0979 2820.7781 0.0000 0.0000 51846.9308 -109279.9466 297.9650 -161126.8774 -108919.7877 298.7046 -196.2492 -170.5831 762436.8439 12.4780 12.5609 PRESSURE: 3218400 -190.021 80.6481 184.259 80.6487 -40.3977 -256.111 184.259 -256.111 -327.501 GPRESSURE: 3218400 -149.165 43.3674 213.695 113.558 9.88487 -283.359 198.563 -326.173 -324.019 PRESSAVG: 3218400 46.6008 -6.50724 37.9394 -6.50727 -36.6324 -15.7211 37.9393 -15.7211 -25.7695 GPRESSAVG: 3218400 47.1439 -8.25206 38.0863 -6.52193 -38.2407 -17.6346 39.5332 -11.2175 -25.0751 TIMING: 3218400 CPU: 10056.7, 0.0031035/step Wall: 10056.7, 0.0031035/step, 1.53589 hours remaining, 235.464844 MB of memory in use. ENERGY: 3218400 4016.0564 20498.3820 14537.7428 238.4976 -202811.1078 2450.4891 0.0000 0.0000 52000.9683 -109068.9716 298.8503 -161069.9399 -108707.2511 298.7881 -185.9735 -154.4332 763486.0066 -5.2670 -5.3906 PRESSURE: 3218600 116.36 10.4969 16.4458 10.4962 0.949281 11.3125 16.4459 11.3128 -48.4204 GPRESSURE: 3218600 220.036 88.8078 -17.5478 80.2011 -13.3321 23.6533 21.1038 -66.8578 -32.0841 PRESSAVG: 3218600 0.161379 -8.29632 61.2912 -8.29624 -5.15573 -5.85621 61.2912 -5.85614 19.0526 GPRESSAVG: 3218600 0.0579153 -8.88158 62.1071 -9.27662 -4.80555 -5.56999 58.1657 -9.38497 19.2354 TIMING: 3218600 CPU: 10057.4, 0.00313143/step Wall: 10057.4, 0.00313143/step, 1.54954 hours remaining, 235.464844 MB of memory in use. ENERGY: 3218600 4015.3323 20429.2527 14452.0016 230.0504 -203385.6599 3039.1157 0.0000 0.0000 52092.0245 -109127.8828 299.3736 -161219.9073 -108751.2103 299.9336 22.9628 58.2066 764103.5978 4.6861 4.8293 PRESSURE: 3218800 -313.489 130.397 -73.0879 130.398 35.8543 23.5701 -73.088 23.5699 -358.7 GPRESSURE: 3218800 -258.843 204.08 -131.436 57.6172 69.199 82.2245 -76.935 -46.9596 -363.012 PRESSAVG: 3218800 -38.3838 29.5173 -38.2086 29.5172 31.2251 28.2217 -38.2086 28.2218 -28.9917 GPRESSAVG: 3218800 -38.9189 32.516 -38.4437 28.4913 31.7835 28.0532 -36.147 28.1888 -28.8162 TIMING: 3218800 CPU: 10058, 0.00311581/step Wall: 10058, 0.00311581/step, 1.54163 hours remaining, 235.464844 MB of memory in use. ENERGY: 3218800 3969.5885 20492.0869 14512.9948 241.7407 -203745.7818 2951.3247 0.0000 0.0000 52281.2101 -109296.8360 300.4608 -161578.0462 -108934.5769 299.1680 -212.1114 -184.2187 762443.3779 -12.0502 -11.9839 PRESSURE: 3219000 164.538 -20.3855 -56.9912 -20.3843 112.711 267.821 -56.9907 267.821 179.951 GPRESSURE: 3219000 240.772 8.42949 -65.9828 136.794 163.162 175.766 -48.4617 368.167 149.93 PRESSAVG: 3219000 -25.8535 -3.39192 -53.9997 -3.39191 9.65324 36.5442 -53.9997 36.5441 36.0258 GPRESSAVG: 3219000 -25.7746 -5.00026 -53.8684 -1.43797 9.28102 36.7286 -54.0206 36.2589 35.9862 TIMING: 3219000 CPU: 10058.6, 0.00314796/step Wall: 10058.6, 0.00314796/step, 1.55736 hours remaining, 235.464844 MB of memory in use. ENERGY: 3219000 3925.7438 20265.4972 14456.6402 256.3801 -203333.3372 2753.2445 0.0000 0.0000 52118.4147 -109557.4167 299.5252 -161675.8315 -109194.1424 298.7703 152.4001 184.6217 762282.4268 6.6085 6.4976 PRESSURE: 3219200 27.3363 -186.207 -48.2488 -186.207 240.716 -315.592 -48.2491 -315.592 327.263 GPRESSURE: 3219200 97.4848 -303.041 -63.5587 -178.58 255.504 -223.399 -91.2439 -232.598 331.834 PRESSAVG: 3219200 -14.8445 -13.8734 -24.8999 -13.8734 13.9315 27.3674 -24.8999 27.3674 13.4678 GPRESSAVG: 3219200 -14.0409 -14.221 -24.9173 -14.157 13.0021 27.7405 -23.8348 28.0309 13.6982 TIMING: 3219200 CPU: 10059.2, 0.00310722/step Wall: 10059.2, 0.00310722/step, 1.53704 hours remaining, 235.464844 MB of memory in use. ENERGY: 3219200 3988.2609 20510.8851 14537.7421 238.3890 -203693.5659 3052.0462 0.0000 0.0000 51850.9938 -109515.2489 297.9884 -161366.2426 -109170.1166 298.1726 198.4384 228.2744 761015.0211 4.1849 4.2198 PRESSURE: 3219400 11.5173 -200.292 139.712 -200.293 -139.581 130.987 139.713 130.986 -62.1773 GPRESSURE: 3219400 13.6376 -182.084 160.426 -81.2132 -118.092 67.492 66.7181 168.626 -4.70762 PRESSAVG: 3219400 33.4475 -23.2322 1.55643 -23.2322 -28.2929 16.5188 1.55644 16.5188 8.10572 GPRESSAVG: 3219400 33.8587 -23.5027 0.552233 -23.376 -27.6822 16.1162 0.651295 16.636 7.28738 TIMING: 3219400 CPU: 10059.9, 0.00310564/step Wall: 10059.9, 0.00310564/step, 1.53609 hours remaining, 235.464844 MB of memory in use. ENERGY: 3219400 4009.1403 20435.2235 14407.1892 257.1062 -203150.2613 2585.6079 0.0000 0.0000 51957.8589 -109498.1353 298.6025 -161455.9942 -109139.1199 298.4683 -63.4136 -36.3873 761857.8256 4.4201 4.4880 PRESSURE: 3219600 309.475 142.204 19.8429 142.204 -158.097 170.15 19.8433 170.15 -45.9684 GPRESSURE: 3219600 338.347 57.0028 67.2247 124.377 -57.9699 168.065 13.6575 114.588 -77.0069 PRESSAVG: 3219600 9.84502 57.7056 60.8776 57.7056 -18.0836 -28.4147 60.8776 -28.4147 11.8328 GPRESSAVG: 3219600 9.00297 57.4857 59.7008 55.2055 -17.5102 -30.2238 60.4324 -29.2306 12.6566 TIMING: 3219600 CPU: 10060.5, 0.00311717/step Wall: 10060.5, 0.00311717/step, 1.54162 hours remaining, 235.464844 MB of memory in use. ENERGY: 3219600 3919.8256 20393.6166 14452.4806 242.7250 -203220.6762 2745.4904 0.0000 0.0000 51927.3866 -109539.1512 298.4274 -161466.5378 -109174.6901 298.5488 35.1364 67.7899 761892.7568 1.1981 1.3831 PRESSURE: 3219800 171.763 114.849 142.76 114.849 -250.123 71.8578 142.76 71.8569 132.809 GPRESSURE: 3219800 166.994 165.341 75.127 42.921 -165.706 57.972 71.9993 139.4 140.876 PRESSAVG: 3219800 -63.5893 16.6443 20.6394 16.6443 17.9347 -35.0302 20.6393 -35.0303 4.48968 GPRESSAVG: 3219800 -64.793 18.8323 22.4732 16.8989 18.0408 -33.5273 20.5174 -33.4097 5.2055 TIMING: 3219800 CPU: 10061.1, 0.00312229/step Wall: 10061.1, 0.00312229/step, 1.54397 hours remaining, 235.464844 MB of memory in use. ENERGY: 3219800 3917.6533 20434.5709 14415.2419 241.2956 -203311.0368 2855.0237 0.0000 0.0000 52012.4666 -109434.7849 298.9164 -161447.2515 -109076.1548 298.3447 18.1500 47.3879 762771.4770 -13.7216 -13.8489 PRESSURE: 3220000 117.53 75.7111 57.4961 75.7103 82.3074 64.7956 57.4954 64.7951 46.8685 GPRESSURE: 3220000 175.187 -56.4528 47.9558 135.089 38.5957 -70.5077 174.081 160.197 141.159 PRESSAVG: 3220000 -44.7789 28.5686 29.482 28.5685 -8.88634 -3.39693 29.4819 -3.39682 -3.44716 GPRESSAVG: 3220000 -43.7736 28.3773 29.7608 28.9156 -8.69426 -4.44264 28.9675 -2.6209 -4.75808 TIMING: 3220000 CPU: 10061.7, 0.00313358/step Wall: 10061.7, 0.00313358/step, 1.54938 hours remaining, 235.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3220000 3997.1554 20419.7041 14436.1678 257.5970 -203523.4130 2752.5918 0.0000 0.0000 52031.5273 -109628.6696 299.0259 -161660.1969 -109265.8926 298.4031 82.2354 118.3139 760333.8830 -19.0375 -19.0753 PRESSURE: 3220200 -203.368 -40.8519 193.273 -40.8518 -251.77 51.0418 193.273 51.043 -244.899 GPRESSURE: 3220200 -110.81 -12.7608 216.674 -105.593 -234.644 95.9697 55.4489 49.7814 -252.334 PRESSAVG: 3220200 24.9603 -0.92272 37.6572 -0.922684 -31.0988 -7.34281 37.6572 -7.34283 -0.979438 GPRESSAVG: 3220200 24.539 -0.921447 35.6007 -0.140893 -30.7099 -5.95903 38.1006 -9.91956 -0.984486 TIMING: 3220200 CPU: 10062.4, 0.00311585/step Wall: 10062.4, 0.00311585/step, 1.54044 hours remaining, 235.464844 MB of memory in use. ENERGY: 3220200 3972.6136 20395.5820 14443.6215 251.1295 -203390.5110 2570.7871 0.0000 0.0000 52142.1920 -109614.5852 299.6619 -161756.7773 -109258.2519 298.8509 -233.3457 -199.2626 762027.6556 -2.3727 -2.3851 LDB: ============= START OF LOAD BALANCING ============== 10074.8 LDB: ============== END OF LOAD BALANCING =============== 10074.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10074.8 LDB: ============= START OF LOAD BALANCING ============== 10075.1 LDB: Largest compute 7007 load 0.030486 is 15.6% of average load 0.195172 LDB: Average compute 0.004398 is 2.3% of average load 0.195172 LDB: TIME 10075.1 LOAD: AVG 0.195172 MAX 0.214338 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.879 MB LDB: TIME 10075.1 LOAD: AVG 0.195172 MAX 0.214338 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.879 MB LDB: TIME 10075.1 LOAD: AVG 0.195172 MAX 0.214338 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.879 MB LDB: ============== END OF LOAD BALANCING =============== 10075.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10075.2 PRESSURE: 3220400 128.528 -196.156 -23.3169 -196.156 -193.053 304.325 -23.3179 304.325 -228.691 GPRESSURE: 3220400 68.1728 -175.168 -44.5217 -212.945 -112.248 282.901 72.9036 215.934 -163.684 PRESSAVG: 3220400 60.4582 -13.1015 6.62472 -13.1015 -22.4214 -42.7967 6.62469 -42.7967 -18.3853 GPRESSAVG: 3220400 60.3015 -13.6645 7.02836 -12.8164 -23.3643 -43.513 8.8273 -41.4697 -17.875 TIMING: 3220400 CPU: 10063, 0.00318786/step Wall: 10063, 0.00318786/step, 1.57587 hours remaining, 235.593750 MB of memory in use. ENERGY: 3220400 4050.4350 20576.0727 14492.4745 232.5770 -203667.7472 2819.1134 0.0000 0.0000 51900.1596 -109596.9149 298.2709 -161497.0745 -109239.3250 298.9336 -97.7387 -69.2533 761237.7450 6.5505 6.3541 PRESSURE: 3220600 -77.1296 -53.8422 -176.204 -53.8415 -154.494 -199.405 -176.204 -199.405 -103.105 GPRESSURE: 3220600 -123.023 -142.241 -212.697 37.9064 -114.507 -254.059 -111.492 -66.3469 -31.8976 PRESSAVG: 3220600 -1.82273 7.20089 33.8038 7.20088 -8.10778 12.69 33.8038 12.6901 12.5128 GPRESSAVG: 3220600 -2.15729 8.97186 35.3892 4.95205 -7.94057 12.5213 32.215 13.7524 12.4852 TIMING: 3220600 CPU: 10063.6, 0.00313711/step Wall: 10063.6, 0.00313711/step, 1.5506 hours remaining, 235.593750 MB of memory in use. ENERGY: 3220600 3963.2368 20420.3093 14531.1125 236.8579 -203343.1079 2586.3357 0.0000 0.0000 52085.1178 -109520.1379 299.3339 -161605.2557 -109147.5996 298.5994 -111.5761 -89.8090 762703.9303 0.8607 0.7958 PRESSURE: 3220800 -265.307 34.2769 -120.742 34.277 -436.174 -214.169 -120.742 -214.169 -360.132 GPRESSURE: 3220800 -208.592 93.4817 -73.0405 32.7129 -386.765 -294.181 -106.886 -62.0878 -369.43 PRESSAVG: 3220800 5.77625 -24.4311 -73.303 -24.4311 -13.6991 -13.5336 -73.303 -13.5336 -11.2859 GPRESSAVG: 3220800 6.1299 -26.1196 -72.7761 -22.7527 -12.6986 -14.2779 -72.6764 -15.3059 -12.6203 TIMING: 3220800 CPU: 10064.2, 0.00315201/step Wall: 10064.2, 0.00315201/step, 1.55779 hours remaining, 235.593750 MB of memory in use. ENERGY: 3220800 4023.9910 20328.2898 14527.2955 244.8149 -202970.4752 2298.0780 0.0000 0.0000 52136.8520 -109411.1541 299.6312 -161548.0061 -109050.2952 299.0976 -353.8710 -321.5956 761853.4095 -6.4029 -6.3964 PRESSURE: 3221000 89.4897 -202.967 -212.507 -202.967 -9.71435 233.137 -212.507 233.138 -207.697 GPRESSURE: 3221000 152.729 -195.408 -178.626 -156.192 -67.5646 178.999 -224.053 279.307 -129.898 PRESSAVG: 3221000 6.67061 21.7753 -10.0516 21.7753 -12.1134 -37.3636 -10.0516 -37.3636 3.97867 GPRESSAVG: 3221000 7.3053 21.8531 -10.8718 22.3049 -13.3533 -36.0107 -11.1434 -35.0499 3.65672 TIMING: 3221000 CPU: 10064.9, 0.00315068/step Wall: 10064.9, 0.00315068/step, 1.55696 hours remaining, 235.593750 MB of memory in use. ENERGY: 3221000 3922.9908 20471.4105 14480.3973 263.4267 -203340.6703 2663.1737 0.0000 0.0000 52257.8858 -109281.3854 300.3268 -161539.2712 -108914.3130 299.5861 -42.6407 -14.9114 762439.0300 -0.4880 -0.7971 PRESSURE: 3221200 186.043 -94.8396 -205.293 -94.8391 -168.652 -77.8348 -205.292 -77.8344 172.653 GPRESSURE: 3221200 260.574 -62.8013 -219.416 -180.654 -157.395 -90.7441 -138.339 -77.2192 182.968 PRESSAVG: 3221200 -2.96361 -3.83489 -36.2394 -3.83483 2.11835 9.71039 -36.2394 9.71038 1.14895 GPRESSAVG: 3221200 -3.80582 -4.99346 -35.6577 -4.37037 1.5077 9.41371 -34.4935 7.92699 2.68309 TIMING: 3221200 CPU: 10065.5, 0.00311499/step Wall: 10065.5, 0.00311499/step, 1.53915 hours remaining, 235.593750 MB of memory in use. ENERGY: 3221200 3947.4364 20529.3201 14545.9264 237.3975 -203086.1284 2654.4577 0.0000 0.0000 52254.7287 -108916.8616 300.3086 -161171.5904 -108557.3513 299.6133 63.3479 95.3824 763328.0665 0.1012 0.1283 PRESSURE: 3221400 -282.376 43.1865 -130.031 43.1856 58.3185 125.7 -130.032 125.7 20.0865 GPRESSURE: 3221400 -177.366 26.0028 -163.811 24.1331 94.7055 137.499 -62.3202 1.11201 -31.7101 PRESSAVG: 3221400 14.1465 -52.5014 -44.8364 -52.5014 17.4978 -33.4046 -44.8364 -33.4046 -6.81111 GPRESSAVG: 3221400 14.9766 -50.5978 -45.6531 -53.3248 18.3103 -33.644 -45.4112 -34.7177 -8.64379 TIMING: 3221400 CPU: 10066.1, 0.00311779/step Wall: 10066.1, 0.00311779/step, 1.54036 hours remaining, 235.593750 MB of memory in use. ENERGY: 3221400 4038.6092 20578.5589 14551.0536 248.2849 -203079.4779 2611.5174 0.0000 0.0000 52111.3457 -108940.1081 299.4846 -161051.4539 -108581.8470 299.9437 -67.9902 -38.1236 762860.0447 8.2777 8.2144 PRESSURE: 3221600 113.892 2.87738 -228.72 2.87825 220.484 62.0117 -228.72 62.0104 177.81 GPRESSURE: 3221600 134.663 56.7956 -132.755 16.0068 275.335 41.4247 -151.128 -71.7089 160.589 PRESSAVG: 3221600 11.8368 11.3063 -16.6165 11.3062 2.93327 11.0844 -16.6165 11.0844 12.3404 GPRESSAVG: 3221600 10.7719 9.51528 -17.004 10.1826 1.56093 10.5159 -15.8874 11.4777 14.0117 TIMING: 3221600 CPU: 10066.7, 0.00311778/step Wall: 10066.7, 0.00311778/step, 1.54018 hours remaining, 235.593750 MB of memory in use. ENERGY: 3221600 4001.1692 20629.8260 14523.0209 249.6381 -203369.1718 2875.8302 0.0000 0.0000 52034.3499 -109055.3374 299.0421 -161089.6873 -108686.2536 300.5979 170.7286 190.1957 763027.7784 9.0368 8.7815 PRESSURE: 3221800 -148.545 -49.2001 -93.1994 -49.2005 192.289 -126.066 -93.1991 -126.066 69.3565 GPRESSURE: 3221800 -40.0399 -80.0577 -53.2675 56.1609 171.699 -155.292 -5.07861 -127.69 82.7631 PRESSAVG: 3221800 -38.3063 29.3362 -38.8614 29.3361 33.0444 -26.1241 -38.8614 -26.1242 -20.6741 GPRESSAVG: 3221800 -38.1087 28.6523 -38.2674 30.1233 33.0837 -23.2946 -40.2257 -25.1152 -20.2131 TIMING: 3221800 CPU: 10067.4, 0.00310436/step Wall: 10067.4, 0.00310436/step, 1.53338 hours remaining, 235.593750 MB of memory in use. ENERGY: 3221800 3955.4730 20674.6774 14425.9164 252.3078 -203645.3642 2877.4517 0.0000 0.0000 52205.4744 -109254.0635 300.0256 -161459.5378 -108890.6329 299.3034 37.7002 71.4742 760814.6108 -8.6453 -8.4127 PRESSURE: 3222000 -115.618 -167.53 159.708 -167.529 269.752 -184.583 159.708 -184.582 -655.483 GPRESSURE: 3222000 -132.73 -174.064 116.782 -130.72 275.321 -211.084 -59.9239 -361.316 -556.663 PRESSAVG: 3222000 -68.3755 -30.9601 2.57659 -30.9601 75.6344 -39.3161 2.57663 -39.3161 -20.7392 GPRESSAVG: 3222000 -69.0195 -27.6896 0.592844 -31.5689 75.6998 -39.6619 3.93497 -39.4403 -20.3036 TIMING: 3222000 CPU: 10068, 0.00311094/step Wall: 10068, 0.00311094/step, 1.53646 hours remaining, 235.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3222000 3968.1340 20599.0594 14471.2282 245.7268 -202987.1548 2484.4927 0.0000 0.0000 51952.8736 -109265.6400 298.5739 -161218.5137 -108901.4297 299.3464 -167.1162 -138.0237 764681.7754 -4.4934 -4.5411 PRESSURE: 3222200 -364.89 -131.772 -423.675 -131.773 -253.825 163.76 -423.676 163.759 64.5981 GPRESSURE: 3222200 -291.424 -111.09 -342.398 -242.606 -157.545 156.223 -300.677 212.034 -24.2118 PRESSAVG: 3222200 -44.4244 -49.2283 -31.8169 -49.2283 64.1283 40.4055 -31.8168 40.4056 10.0487 GPRESSAVG: 3222200 -44.5604 -50.7974 -30.258 -50.2027 66.6161 39.168 -33.5493 40.0947 7.03 TIMING: 3222200 CPU: 10068.6, 0.0031144/step Wall: 10068.6, 0.0031144/step, 1.53799 hours remaining, 235.593750 MB of memory in use. ENERGY: 3222200 3861.3911 20590.8166 14522.9198 251.8754 -203000.8657 2477.7666 0.0000 0.0000 51698.7787 -109597.3176 297.1136 -161296.0963 -109228.6211 298.9565 -184.7056 -157.7269 764829.3077 9.9175 9.6952 PRESSURE: 3222400 183.033 109.217 -82.9844 109.216 -182.307 132.887 -82.9849 132.887 49.7824 GPRESSURE: 3222400 197.185 134.431 -95.4061 144.333 -222.857 204.493 -15.6679 57.2721 160.998 PRESSAVG: 3222400 9.59224 -23.1532 -52.8251 -23.1532 -15.9487 15.7909 -52.8251 15.7908 5.53568 GPRESSAVG: 3222400 10.3976 -24.3235 -53.4477 -21.6267 -17.4297 16.3873 -50.374 16.2973 6.18738 TIMING: 3222400 CPU: 10069.2, 0.0031331/step Wall: 10069.2, 0.0031331/step, 1.54706 hours remaining, 235.593750 MB of memory in use. ENERGY: 3222400 3958.5382 20573.8708 14448.2513 245.6438 -203261.0314 2581.9113 0.0000 0.0000 52066.6356 -109386.1804 299.2277 -161452.8160 -109031.7855 298.3883 16.8359 45.1087 761922.2774 -0.2736 -0.2816 PRESSURE: 3222600 454.559 63.047 -70.2708 63.0457 441.189 -325.998 -70.2711 -325.998 166.853 GPRESSURE: 3222600 494.769 74.6944 -19.0713 44.1713 394.808 -290.392 -117.851 -161.427 248.884 PRESSAVG: 3222600 28.3095 62.8767 4.16026 62.8767 -10.2512 0.50606 4.16032 0.505993 28.8488 GPRESSAVG: 3222600 29.1957 64.1014 3.64909 64.0496 -11.9942 0.0328435 3.36824 0.166443 30.0155 TIMING: 3222600 CPU: 10069.9, 0.0031298/step Wall: 10069.9, 0.0031298/step, 1.54525 hours remaining, 235.593750 MB of memory in use. ENERGY: 3222600 3915.6420 20655.2795 14448.0614 254.6298 -203793.1868 2966.5900 0.0000 0.0000 52169.3011 -109383.6829 299.8177 -161552.9840 -109018.6121 298.9626 354.2001 379.4869 762301.8875 15.6357 15.7390 PRESSURE: 3222800 -21.0316 -298.259 141.485 -298.259 -387.076 -103.556 141.485 -103.557 -273.683 GPRESSURE: 3222800 -69.0045 -279.581 129.788 -165.095 -267.824 -44.6234 31.7325 -82.1859 -265.835 PRESSAVG: 3222800 -15.3253 -26.2525 34.928 -26.2525 42.2404 -31.374 34.928 -31.374 6.3239 GPRESSAVG: 3222800 -17.3571 -25.5737 37.2179 -29.3973 45.8701 -31.6796 35.0596 -30.6984 5.44171 TIMING: 3222800 CPU: 10070.5, 0.00313265/step Wall: 10070.5, 0.00313265/step, 1.54648 hours remaining, 235.593750 MB of memory in use. ENERGY: 3222800 3943.5983 20506.5066 14585.9635 235.3221 -202908.9631 2384.4755 0.0000 0.0000 52004.0252 -109249.0720 298.8678 -161253.0971 -108881.1018 299.4187 -227.2636 -200.8879 762881.8262 11.0797 11.3182 PRESSURE: 3223000 -105.945 -187.435 196.447 -187.435 246.631 -116.321 196.446 -116.32 -28.9855 GPRESSURE: 3223000 -75.7931 -157.32 259.86 -160.145 235.839 -12.247 145.845 -140.345 30.6318 PRESSAVG: 3223000 -30.6314 -73.7905 51.2298 -73.7905 -3.45168 -38.131 51.2298 -38.131 6.37765 GPRESSAVG: 3223000 -29.5505 -74.2404 49.2933 -69.1375 -4.26122 -37.8512 52.9541 -38.6703 5.94934 TIMING: 3223000 CPU: 10071.1, 0.00311338/step Wall: 10071.1, 0.00311338/step, 1.5368 hours remaining, 235.593750 MB of memory in use. ENERGY: 3223000 4012.8351 20509.4112 14501.4938 246.4769 -203087.3497 2809.6694 0.0000 0.0000 52006.3659 -109001.0974 298.8813 -161007.4633 -108629.1751 300.0112 37.2334 63.5594 763090.7939 -9.2351 -9.2874 PRESSURE: 3223200 48.7443 -8.41861 -135.163 -8.41815 70.078 166.523 -135.162 166.524 166.307 GPRESSURE: 3223200 115.225 -69.8472 -133.578 31.0243 108.691 262.289 -131.218 76.8792 153.861 PRESSAVG: 3223200 8.63538 -11.2052 76.2302 -11.2053 1.88886 3.62845 76.2302 3.62842 25.7761 GPRESSAVG: 3223200 8.87735 -12.082 75.4681 -13.8274 2.15918 3.54361 74.1008 2.84174 24.7698 TIMING: 3223200 CPU: 10071.7, 0.00312394/step Wall: 10071.7, 0.00312394/step, 1.54184 hours remaining, 235.593750 MB of memory in use. ENERGY: 3223200 4114.1387 20602.6471 14432.9473 257.1478 -203086.3336 2684.5142 0.0000 0.0000 51824.5458 -109170.3926 297.8364 -160994.9385 -108811.9536 299.9099 95.0431 125.9257 761098.5888 12.1001 11.9354 PRESSURE: 3223400 278.065 59.4302 -175.078 59.4305 263.082 -156.102 -175.078 -156.103 -17.0342 GPRESSURE: 3223400 342.69 28.9028 -130.12 -137.645 279.532 -94.8781 -65.3467 -202.303 -16.9016 PRESSAVG: 3223400 -12.5822 45.3595 -8.14782 45.3595 28.8633 13.021 -8.14778 13.0211 20.6902 GPRESSAVG: 3223400 -11.7409 45.3554 -6.62486 45.5281 26.7242 12.7118 -8.6874 12.6813 21.4185 TIMING: 3223400 CPU: 10072.4, 0.00312923/step Wall: 10072.4, 0.00312923/step, 1.54428 hours remaining, 235.593750 MB of memory in use. ENERGY: 3223400 4011.9226 20547.2174 14480.0811 230.2033 -203181.1196 2685.4802 0.0000 0.0000 51992.5168 -109233.6983 298.8017 -161226.2151 -108871.6888 299.0635 174.7045 201.7736 761757.8771 12.3238 12.1339 PRESSURE: 3223600 16.9469 -35.7767 146.601 -35.7775 266.777 -140.545 146.602 -140.545 -136.657 GPRESSURE: 3223600 69.6217 -49.0943 217.738 136.358 314.973 -36.4461 76.6662 -226.565 -159.259 PRESSAVG: 3223600 5.58148 6.23968 -22.9141 6.23969 29.5554 -26.5075 -22.914 -26.5075 13.437 GPRESSAVG: 3223600 3.30833 4.976 -22.4835 6.69961 31.8583 -25.2525 -23.8441 -25.8297 13.6001 TIMING: 3223600 CPU: 10073, 0.00312672/step Wall: 10073, 0.00312672/step, 1.54286 hours remaining, 235.593750 MB of memory in use. ENERGY: 3223600 3975.3559 20511.7787 14487.1988 246.6879 -203058.7414 2801.7059 0.0000 0.0000 51949.9406 -109086.0736 298.5570 -161036.0142 -108711.1154 299.5080 49.0225 75.1121 763501.9331 16.1913 16.2556 PRESSURE: 3223800 170.317 297.691 113.283 297.691 -8.85082 -92.9513 113.284 -92.9508 -407.252 GPRESSURE: 3223800 186.959 242.708 118.322 237.635 -33.5577 0.127045 83.9142 -185.106 -344.708 PRESSAVG: 3223800 22.7688 72.9715 -35.7751 72.9715 -5.30636 -1.44712 -35.7751 -1.44712 9.00293 GPRESSAVG: 3223800 23.8212 72.2554 -35.7302 74.3096 -6.73517 -2.54311 -32.8249 -1.6812 9.39738 TIMING: 3223800 CPU: 10073.6, 0.00312447/step Wall: 10073.6, 0.00312447/step, 1.54158 hours remaining, 235.593750 MB of memory in use. ENERGY: 3223800 3954.2263 20557.0936 14444.1516 241.8811 -202639.9053 2274.8394 0.0000 0.0000 52267.4254 -108900.2878 300.3816 -161167.7133 -108535.1213 299.6751 -81.9286 -63.7687 764567.8923 8.8218 8.8278 PRESSURE: 3224000 -470.231 57.4195 210.776 57.4194 -54.6571 202.901 210.776 202.901 -473.123 GPRESSURE: 3224000 -448.222 81.5426 199.681 76.8019 -49.1927 198.426 172.821 182.403 -414.26 PRESSAVG: 3224000 -7.9188 -13.5207 -31.6019 -13.5207 -7.85643 -19.1445 -31.602 -19.1446 -0.427887 GPRESSAVG: 3224000 -8.10042 -8.86154 -32.6173 -17.0223 -7.62114 -19.182 -31.8569 -20.1556 -0.610449 TIMING: 3224000 CPU: 10074.2, 0.00312931/step Wall: 10074.2, 0.00312931/step, 1.54379 hours remaining, 235.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3224000 3972.0114 20721.4874 14411.2296 250.9302 -203144.2694 2815.0591 0.0000 0.0000 52118.8446 -108854.7070 299.5277 -160973.5516 -108501.3099 299.9762 -332.6705 -303.8914 763630.5910 -5.4010 -5.4440 PRESSURE: 3224200 -168.528 -65.5937 31.2444 -65.593 -249.006 -40.9353 31.2436 -40.9359 89.3349 GPRESSURE: 3224200 -123.258 -44.934 14.219 -67.0199 -166.922 6.28569 -28.3619 -12.3459 52.5712 PRESSAVG: 3224200 -8.87793 33.3023 -2.0116 33.3024 39.4508 -11.7907 -2.01163 -11.7907 10.6082 GPRESSAVG: 3224200 -8.20027 29.8709 -1.37284 36.5906 40.3215 -12.8365 -3.94573 -8.7037 9.52948 TIMING: 3224200 CPU: 10074.9, 0.00310174/step Wall: 10074.9, 0.00310174/step, 1.53002 hours remaining, 235.593750 MB of memory in use. ENERGY: 3224200 3992.2746 20586.4427 14461.9463 252.6632 -202685.8378 2562.2447 0.0000 0.0000 52234.1277 -108596.1386 300.1902 -160830.2663 -108224.4499 299.9375 -109.3998 -79.2029 764835.8115 13.7270 13.8836 LDB: ============= START OF LOAD BALANCING ============== 10087.3 LDB: ============== END OF LOAD BALANCING =============== 10087.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10087.3 LDB: ============= START OF LOAD BALANCING ============== 10087.7 LDB: Largest compute 7007 load 0.031384 is 16.1% of average load 0.195207 LDB: Average compute 0.004373 is 2.2% of average load 0.195207 LDB: TIME 10087.7 LOAD: AVG 0.195207 MAX 0.213559 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.914 MB LDB: TIME 10087.7 LOAD: AVG 0.195207 MAX 0.213559 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.918 MB LDB: TIME 10087.7 LOAD: AVG 0.195207 MAX 0.213559 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.918 MB LDB: ============== END OF LOAD BALANCING =============== 10087.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10087.7 PRESSURE: 3224400 319.288 -4.05828 119.362 -4.05888 8.63618 258.838 119.364 258.839 -104.195 GPRESSURE: 3224400 201.703 23.8365 114.085 7.74919 165.703 199.204 123.662 162.267 -65.4682 PRESSAVG: 3224400 -31.4454 -18.1889 35.9489 -18.1888 9.91493 9.50459 35.9488 9.50473 8.62658 GPRESSAVG: 3224400 -32.931 -16.5943 36.9277 -17.6341 10.8693 12.3839 36.3015 7.75773 8.7979 TIMING: 3224400 CPU: 10075.5, 0.00317622/step Wall: 10075.5, 0.00317622/step, 1.56658 hours remaining, 235.140625 MB of memory in use. ENERGY: 3224400 4023.3864 20754.5397 14443.3819 254.2215 -202761.3444 2599.3659 0.0000 0.0000 52243.9824 -108442.4666 300.2469 -160686.4491 -108087.3152 300.5449 74.5765 100.6459 763927.5569 -4.3013 -4.4213 PRESSURE: 3224600 -125.907 98.4626 97.1664 98.4636 69.8849 203.329 97.1676 203.327 53.7044 GPRESSURE: 3224600 -59.845 196.465 -23.0594 114.238 138.388 214.838 116.776 165.409 21.3774 PRESSAVG: 3224600 -30.4542 40.8769 -20.5188 40.8768 42.5971 12.4754 -20.5188 12.4753 -9.61851 GPRESSAVG: 3224600 -29.5974 39.9613 -21.3791 39.4116 40.6907 10.6261 -18.6172 9.83372 -9.17279 TIMING: 3224600 CPU: 10076.1, 0.00311366/step Wall: 10076.1, 0.00311366/step, 1.53555 hours remaining, 235.140625 MB of memory in use. ENERGY: 3224600 4010.3463 20680.1994 14500.5153 221.7068 -203096.6789 2776.3117 0.0000 0.0000 52345.3041 -108562.2953 300.8292 -160907.5995 -108206.7609 300.6642 -0.7726 33.3069 763475.7195 0.8415 0.6402 PRESSURE: 3224800 369.785 55.1703 76.1284 55.1705 227.864 -49.5274 76.1281 -49.5264 230.257 GPRESSURE: 3224800 501.601 -52.2369 133.758 -20.1378 179.891 -87.2127 151.225 -122.275 237.956 PRESSAVG: 3224800 14.1051 28.9713 -25.0862 28.9713 36.624 -10.7661 -25.0862 -10.7661 13.6389 GPRESSAVG: 3224800 15.4188 29.037 -23.9793 27.4854 35.3994 -10.9596 -25.9554 -9.76371 13.5163 TIMING: 3224800 CPU: 10076.7, 0.00311531/step Wall: 10076.7, 0.00311531/step, 1.53619 hours remaining, 235.140625 MB of memory in use. ENERGY: 3224800 3957.0365 20604.6849 14487.7695 251.5280 -202969.3872 2796.1391 0.0000 0.0000 52158.7244 -108713.5047 299.7569 -160872.2291 -108348.5478 300.2004 275.9686 306.4827 764204.8841 21.4560 21.4448 PRESSURE: 3225000 -256.223 -0.409358 -23.6783 -0.409013 -47.6946 -32.2777 -23.6786 -32.2784 386.587 GPRESSURE: 3225000 -208.756 -59.0683 -6.96309 -2.03109 -65.7805 55.2214 67.2245 -89.3167 425.408 PRESSAVG: 3225000 7.83739 31.9015 -78.9399 31.9015 17.0071 -4.38955 -78.9399 -4.38957 -8.38436 GPRESSAVG: 3225000 5.22311 30.9528 -79.5819 31.8849 17.9675 -5.96809 -77.0915 -5.63816 -7.11865 TIMING: 3225000 CPU: 10077.4, 0.00312565/step Wall: 10077.4, 0.00312565/step, 1.54112 hours remaining, 235.140625 MB of memory in use. ENERGY: 3225000 3972.4659 20491.5985 14464.6388 261.9686 -203000.4618 2727.6497 0.0000 0.0000 52441.1160 -108641.0243 301.3798 -161082.1402 -108273.3498 300.2123 27.5565 50.2903 762342.8349 5.4867 5.3573 PRESSURE: 3225200 39.7185 -341.182 -48.6732 -341.183 54.9124 -342.292 -48.6738 -342.293 -30.6669 GPRESSURE: 3225200 85.2308 -331.37 -55.3519 -213.832 92.2591 -286.401 -46.4249 -258.857 -41.546 PRESSAVG: 3225200 -52.456 50.4541 -30.3571 50.4542 39.442 -4.66449 -30.3571 -4.66459 -2.57024 GPRESSAVG: 3225200 -52.0754 51.3359 -31.6393 52.0146 40.3137 -3.33409 -29.4743 -2.61195 -3.52203 TIMING: 3225200 CPU: 10078, 0.00315289/step Wall: 10078, 0.00315288/step, 1.55437 hours remaining, 235.140625 MB of memory in use. ENERGY: 3225200 4001.4713 20529.0657 14422.3008 252.7264 -202886.9864 2650.3924 0.0000 0.0000 52482.5672 -108548.4626 301.6180 -161031.0298 -108192.9993 300.2024 21.3213 45.3146 762955.2893 -5.1948 -5.0946 PRESSURE: 3225400 253.058 -113.761 -62.0012 -113.761 -25.8857 -46.5756 -62.0006 -46.5758 251.648 GPRESSURE: 3225400 256.25 -171.146 -92.2148 -127.522 -14.7535 -42.9795 -262.263 -18.4547 324.589 PRESSAVG: 3225400 26.9855 4.53286 3.87844 4.53278 14.9881 29.2619 3.87835 29.2618 -22.9146 GPRESSAVG: 3225400 28.7593 5.19143 4.84471 2.38548 13.8986 29.7847 -0.494092 30.6386 -23.8434 TIMING: 3225400 CPU: 10078.6, 0.00315469/step Wall: 10078.6, 0.00315469/step, 1.55509 hours remaining, 235.140625 MB of memory in use. ENERGY: 3225400 3998.1617 20420.3796 14430.2530 252.4747 -202721.7602 2700.7292 0.0000 0.0000 52220.4809 -108699.2811 300.1118 -160919.7620 -108338.0044 300.5935 159.6067 188.6949 763816.2064 6.3530 6.2715 PRESSURE: 3225600 84.0545 -63.9968 84.4954 -63.9962 -50.813 -143.406 84.4959 -143.405 112.955 GPRESSURE: 3225600 70.4663 74.4384 106.389 -45.3592 32.7256 -169.723 -31.4357 -189.347 140.813 PRESSAVG: 3225600 -3.54988 18.4307 2.45776 18.4307 10.2476 -14.8705 2.45772 -14.8705 37.3478 GPRESSAVG: 3225600 -5.4858 17.719 2.94919 18.1647 11.0967 -14.9759 3.89088 -18.2854 38.3405 TIMING: 3225600 CPU: 10079.3, 0.00312991/step Wall: 10079.3, 0.00312991/step, 1.5427 hours remaining, 235.140625 MB of memory in use. ENERGY: 3225600 4022.5649 20387.4464 14444.0445 267.2372 -202934.8616 2321.5292 0.0000 0.0000 52587.0410 -108904.9984 302.2184 -161492.0393 -108535.0569 300.4890 48.7323 81.3348 761824.8452 14.6818 14.6505 PRESSURE: 3225800 159.436 -36.7805 -98.1107 -36.7814 -258.839 -124.102 -98.1107 -124.102 54.4342 GPRESSURE: 3225800 253.788 8.1097 -127.698 40.9051 -261.106 -81.8022 -16.0168 -37.0137 36.8562 PRESSAVG: 3225800 46.5063 27.7298 -6.96085 27.7298 -12.4315 -34.1215 -6.96087 -34.1215 4.42895 GPRESSAVG: 3225800 46.0823 29.1549 -7.88768 27.8603 -12.4156 -34.1081 -6.83318 -31.7135 3.93702 TIMING: 3225800 CPU: 10079.9, 0.00313776/step Wall: 10079.9, 0.00313776/step, 1.54639 hours remaining, 235.140625 MB of memory in use. ENERGY: 3225800 4064.1839 20515.8495 14503.0164 240.5174 -202705.3110 2465.8260 0.0000 0.0000 52253.9469 -108661.9709 300.3042 -160915.9178 -108296.3778 300.5182 -14.9894 9.8460 761761.0302 12.8346 12.5346 PRESSURE: 3226000 141.675 46.2587 -114.8 46.2593 -63.0682 -90.2091 -114.8 -90.2077 129.752 GPRESSURE: 3226000 173.727 133.121 -185.163 -32.7267 -21.5611 -30.6262 -1.03948 -16.8331 146.922 PRESSAVG: 3226000 -9.87467 -6.71724 30.7756 -6.71725 0.217355 -24.6368 30.7756 -24.6368 -16.1108 GPRESSAVG: 3226000 -9.56226 -6.33543 31.0051 -8.51246 0.216322 -24.7181 33.0347 -22.7892 -16.1868 TIMING: 3226000 CPU: 10080.5, 0.00312996/step Wall: 10080.5, 0.00312996/step, 1.54238 hours remaining, 235.140625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3226000 4063.7242 20425.1533 14469.6802 237.8802 -203234.2607 2733.6351 0.0000 0.0000 52398.8795 -108905.3082 301.1371 -161304.1877 -108543.2648 300.6377 69.4528 99.6960 760815.3224 -8.5894 -8.5109 PRESSURE: 3226200 52.4978 58.7298 281.305 58.7304 72.6874 -58.9162 281.305 -58.9163 -133.289 GPRESSURE: 3226200 80.8183 65.164 212.66 25.3567 60.4397 -20.7685 140.78 42.0088 -73.3163 PRESSAVG: 3226200 -53.1735 -9.75155 6.95174 -9.75151 30.9151 40.3614 6.95176 40.3613 -0.689013 GPRESSAVG: 3226200 -52.7161 -12.4487 6.72821 -7.43597 29.8767 40.4426 5.17979 37.935 -0.472691 TIMING: 3226200 CPU: 10081.1, 0.00311448/step Wall: 10081.1, 0.00311448/step, 1.53457 hours remaining, 235.140625 MB of memory in use. ENERGY: 3226200 4001.9600 20661.3064 14445.0636 256.9354 -203229.3254 2745.6975 0.0000 0.0000 52314.5171 -108803.8455 300.6522 -161118.3625 -108447.5007 300.5940 -2.7014 22.6472 762597.5855 -7.6491 -7.7707 PRESSURE: 3226400 -311.537 152.494 -1.92781 152.495 -149.264 -51.9875 -1.92873 -51.9876 -69.3811 GPRESSURE: 3226400 -256.687 109.525 -0.477727 129.407 -39.2822 -60.2912 -42.4648 79.704 -132.628 PRESSAVG: 3226400 -12.7971 33.1442 -21.8884 33.1442 4.60049 -19.3763 -21.8885 -19.3763 -8.85715 GPRESSAVG: 3226400 -12.5657 35.8935 -23.7003 31.5051 4.9599 -18.7842 -19.5 -20.9595 -9.60166 TIMING: 3226400 CPU: 10081.8, 0.00312068/step Wall: 10081.8, 0.00312068/step, 1.53745 hours remaining, 235.140625 MB of memory in use. ENERGY: 3226400 4052.6543 20700.3556 14479.5856 225.2845 -202764.3020 2226.5083 0.0000 0.0000 52302.0009 -108777.9127 300.5803 -161079.9136 -108412.7787 300.4839 -176.7273 -142.8656 761924.1896 -5.6846 -5.7358 PRESSURE: 3226600 -298.883 -177.953 27.3956 -177.953 161.735 -213.291 27.3953 -213.291 -298.037 GPRESSURE: 3226600 -216.656 -103.671 -64.0825 -56.6767 132.192 -156.343 -17.4339 -309.734 -259.075 PRESSAVG: 3226600 -11.254 35.0142 -46.8818 35.0142 26.4943 -18.523 -46.8818 -18.523 2.54528 GPRESSAVG: 3226600 -11.9706 34.7327 -45.4753 35.5662 26.2619 -19.4392 -48.9189 -18.7813 3.53481 TIMING: 3226600 CPU: 10082.4, 0.0031293/step Wall: 10082.4, 0.0031293/step, 1.54153 hours remaining, 235.140625 MB of memory in use. ENERGY: 3226600 4054.1354 20597.1890 14464.2831 242.6461 -203209.5027 2765.2520 0.0000 0.0000 52075.7126 -109010.2846 299.2798 -161085.9972 -108648.1300 300.6601 -145.0617 -114.5128 761714.7399 5.9285 5.9421 PRESSURE: 3226800 -215.629 130.256 18.21 130.257 -134.054 16.9814 18.2107 16.9812 -427.168 GPRESSURE: 3226800 -216.035 65.6392 39.7501 164.86 -112.417 31.2425 0.912856 -48.5682 -349.511 PRESSAVG: 3226800 12.0056 40.8742 32.293 40.8742 12.2294 -29.9543 32.293 -29.9543 7.67754 GPRESSAVG: 3226800 13.5461 39.1912 31.345 40.6319 11.951 -29.5869 33.2822 -28.4347 6.61253 TIMING: 3226800 CPU: 10083, 0.00314466/step Wall: 10083, 0.00314466/step, 1.54892 hours remaining, 235.140625 MB of memory in use. ENERGY: 3226800 4041.8161 20496.7772 14394.6835 264.2748 -203272.4207 2709.4419 0.0000 0.0000 52324.5396 -109040.8876 300.7098 -161365.4272 -108687.6743 300.1114 -258.9502 -225.9877 763225.1888 10.6375 10.7032 PRESSURE: 3227000 189.915 -111.542 43.2017 -111.542 -326.47 95.7357 43.2018 95.7361 -224.896 GPRESSURE: 3227000 228.227 -125.951 19.7093 -52.1996 -320.493 196.276 -69.1594 -9.79288 -187.683 PRESSAVG: 3227000 27.8275 -11.5948 3.23891 -11.5948 26.9404 -2.2918 3.23893 -2.29184 -2.69506 GPRESSAVG: 3227000 26.9697 -11.6242 3.19418 -11.9972 26.6068 -2.38314 2.36201 -2.33735 -1.76716 TIMING: 3227000 CPU: 10083.6, 0.00313762/step Wall: 10083.6, 0.00313762/step, 1.54528 hours remaining, 235.140625 MB of memory in use. ENERGY: 3227000 4045.7148 20432.5528 14550.6061 231.6008 -203199.8725 2798.5474 0.0000 0.0000 52039.2775 -109101.5732 299.0704 -161140.8507 -108730.4661 300.0446 -120.4837 -93.3165 762396.1016 17.3576 17.2698 PRESSURE: 3227200 -217.055 115.399 132.779 115.4 -40.3182 11.0533 132.779 11.054 -130.949 GPRESSURE: 3227200 -130.75 66.3321 108.209 135.325 -45.3129 41.8235 192.148 -70.2534 -137.425 PRESSAVG: 3227200 45.0425 -19.407 -22.0569 -19.407 -20.6984 50.1166 -22.0569 50.1166 5.52629 GPRESSAVG: 3227200 44.9284 -20.6555 -20.5842 -17.3722 -19.7035 50.7417 -21.8975 50.6273 4.82297 TIMING: 3227200 CPU: 10084.3, 0.00313244/step Wall: 10084.3, 0.00313244/step, 1.54255 hours remaining, 235.140625 MB of memory in use. ENERGY: 3227200 3997.6053 20521.3765 14517.2206 241.8866 -202834.4159 2529.4631 0.0000 0.0000 51706.3699 -109320.4939 297.1572 -161026.8638 -108964.5462 299.3172 -129.4407 -104.4963 762083.2791 9.9568 10.0160 PRESSURE: 3227400 13.7216 146.89 -100.782 146.89 -111.151 -212.959 -100.782 -212.959 26.6027 GPRESSURE: 3227400 9.57434 193.952 -113.606 161.767 -48.0404 -212.53 -65.2242 -190.935 52.2494 PRESSAVG: 3227400 -32.5914 -3.68668 5.90352 -3.68666 20.5987 10.0534 5.90353 10.0534 -4.51415 GPRESSAVG: 3227400 -33.0244 -2.87556 3.97942 -5.31192 20.9188 8.90475 7.0566 11.1994 -4.56745 TIMING: 3227400 CPU: 10084.9, 0.00312659/step Wall: 10084.9, 0.00312659/step, 1.5395 hours remaining, 235.140625 MB of memory in use. ENERGY: 3227400 3945.9743 20431.5750 14489.7359 241.1752 -203311.7264 2741.9629 0.0000 0.0000 52189.0428 -109272.2602 299.9311 -161461.3030 -108913.5669 299.2994 -23.6090 4.5944 762544.7988 -5.5023 -5.5577 PRESSURE: 3227600 -136.809 -52.4449 195.141 -52.4446 412.429 -19.5905 195.141 -19.591 -46.4478 GPRESSURE: 3227600 -111.961 -133.049 279.953 -71.755 428.21 -2.05684 80.7203 -31.7233 -22.826 PRESSAVG: 3227600 18.4471 -17.3155 18.6869 -17.3155 18.0313 -27.0221 18.6869 -27.0222 5.44366 GPRESSAVG: 3227600 19.049 -16.6927 20.2566 -15.6301 17.2437 -27.1419 18.883 -28.2608 5.47032 TIMING: 3227600 CPU: 10085.5, 0.00311527/step Wall: 10085.5, 0.00311527/step, 1.53375 hours remaining, 235.140625 MB of memory in use. ENERGY: 3227600 3937.2654 20528.1023 14403.8268 235.3527 -203324.6809 2837.6960 0.0000 0.0000 51985.4808 -109396.9569 298.7613 -161382.4377 -109032.0086 298.8858 76.3908 97.8077 762390.2221 13.9740 13.9210 PRESSURE: 3227800 241.326 97.2329 198.21 97.2338 153.458 -60.6819 198.209 -60.682 376.271 GPRESSURE: 3227800 229.482 95.375 234.478 171.289 152.235 -72.9371 226.215 -192.838 459.082 PRESSAVG: 3227800 -17.2506 -5.52308 -13.1741 -5.52305 56.919 -29.278 -13.1741 -29.2781 6.84362 GPRESSAVG: 3227800 -17.0086 -2.6416 -15.755 -6.26016 57.1853 -28.51 -13.4821 -29.9822 6.92838 TIMING: 3227800 CPU: 10086.1, 0.00311101/step Wall: 10086.1, 0.00311101/step, 1.53148 hours remaining, 235.140625 MB of memory in use. ENERGY: 3227800 4057.2115 20560.8260 14522.9998 237.4164 -203486.2460 2800.2458 0.0000 0.0000 51852.9908 -109454.5558 297.9999 -161307.5466 -109115.8960 298.7747 257.0182 280.2661 759985.7564 15.5040 15.7017 PRESSURE: 3228000 -193.933 120.238 258.359 120.239 75.098 -116.343 258.359 -116.342 -278.499 GPRESSURE: 3228000 -155.135 84.3183 189.453 113.493 53.7546 -72.0623 189.726 -137.169 -217.478 PRESSAVG: 3228000 -3.12123 -3.35495 -9.93439 -3.35494 20.2698 -47.9412 -9.93446 -47.9413 34.0667 GPRESSAVG: 3228000 -3.84582 -5.74241 -8.57959 -2.98245 20.6725 -48.084 -10.2029 -47.8766 34.1088 TIMING: 3228000 CPU: 10086.8, 0.00311692/step Wall: 10086.8, 0.00311692/step, 1.53422 hours remaining, 235.140625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3228000 4073.3410 20373.5434 14479.1842 225.0633 -203164.3423 2718.4129 0.0000 0.0000 52047.3817 -109247.4159 299.1170 -161294.7976 -108901.7652 299.2109 -132.4444 -106.2863 762456.6505 17.0718 16.9785 PRESSURE: 3228200 -30.8088 -51.1198 -40.4078 -51.1197 -166.346 109.677 -40.4076 109.676 -184.371 GPRESSURE: 3228200 -1.61244 -12.8556 -31.1644 10.0904 -84.2185 109.463 -87.6077 129.932 -190.177 PRESSAVG: 3228200 -28.6691 -18.5873 -36.2493 -18.5873 11.9273 -74.9857 -36.2494 -74.9856 0.0446063 GPRESSAVG: 3228200 -27.8768 -18.6929 -35.3524 -20.3269 11.8051 -74.6564 -36.9136 -73.3908 -0.127815 TIMING: 3228200 CPU: 10087.4, 0.00314507/step Wall: 10087.4, 0.00314507/step, 1.5479 hours remaining, 235.140625 MB of memory in use. ENERGY: 3228200 3980.7180 20434.1288 14490.7035 238.2004 -203189.6813 2616.6521 0.0000 0.0000 52066.7342 -109362.5443 299.2282 -161429.2785 -109008.9405 299.2876 -127.1750 -92.0028 763694.2559 -5.5657 -5.3998 LDB: ============= START OF LOAD BALANCING ============== 10099.9 LDB: ============== END OF LOAD BALANCING =============== 10099.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10099.9 LDB: ============= START OF LOAD BALANCING ============== 10100.2 LDB: Largest compute 7007 load 0.032708 is 16.8% of average load 0.195239 LDB: Average compute 0.004369 is 2.2% of average load 0.195239 LDB: TIME 10100.2 LOAD: AVG 0.195239 MAX 0.216042 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.426 MB LDB: TIME 10100.2 LOAD: AVG 0.195239 MAX 0.216042 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.426 MB LDB: TIME 10100.2 LOAD: AVG 0.195239 MAX 0.216042 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.426 MB LDB: ============== END OF LOAD BALANCING =============== 10100.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10100.2 PRESSURE: 3228400 -250.524 163.712 143.775 163.712 -400.467 -125.118 143.773 -125.117 42.1645 GPRESSURE: 3228400 -223.866 193.375 147.329 209.432 -296.455 -106.461 229.605 -105.794 -9.45601 PRESSAVG: 3228400 -76.2503 27.9841 41.5105 27.9841 19.7473 -60.6479 41.5105 -60.648 5.00748 GPRESSAVG: 3228400 -75.8541 29.6777 41.9481 29.6554 19.2972 -60.4688 41.6161 -59.7049 4.36686 TIMING: 3228400 CPU: 10088, 0.00322079/step Wall: 10088, 0.00322079/step, 1.58498 hours remaining, 234.734375 MB of memory in use. ENERGY: 3228400 3981.1151 20514.6747 14407.5465 243.1526 -203209.9971 2508.7383 0.0000 0.0000 52010.8371 -109543.9327 298.9070 -161554.7698 -109184.0642 298.6439 -202.9421 -176.5922 761398.5849 -17.1652 -17.3967 PRESSURE: 3228600 11.9423 46.7067 80.1904 46.7069 159.508 252.305 80.1904 252.305 -115.002 GPRESSURE: 3228600 7.96331 175.498 131.139 77.4539 147.53 172.57 18.4051 252.627 -38.4146 PRESSAVG: 3228600 -23.2112 -2.11816 -19.7685 -2.11819 16.6033 57.2276 -19.7685 57.2275 12.0212 GPRESSAVG: 3228600 -24.0866 -3.02284 -19.382 -0.984159 16.3506 57.4575 -19.0758 55.8245 13.5119 TIMING: 3228600 CPU: 10088.7, 0.0031562/step Wall: 10088.7, 0.0031562/step, 1.55302 hours remaining, 234.937500 MB of memory in use. ENERGY: 3228600 3892.7368 20426.2366 14433.2166 251.0281 -203267.6603 2746.0269 0.0000 0.0000 52014.6825 -109503.7327 298.9291 -161518.4152 -109135.8484 299.1237 18.8159 39.0262 761487.6560 1.8044 1.9253 PRESSURE: 3228800 -84.6195 100.649 -200.981 100.649 -268.89 -185.039 -200.981 -185.039 -674.145 GPRESSURE: 3228800 -85.731 -14.635 -223.291 9.67504 -187.006 -173.33 -207.469 -145.299 -665.491 PRESSAVG: 3228800 -93.412 -35.9385 -4.55315 -35.9385 96.2592 14.188 -4.55312 14.188 -10.5415 GPRESSAVG: 3228800 -92.8818 -34.6825 -5.14387 -39.8617 96.4295 14.802 -4.82478 12.9309 -10.8046 TIMING: 3228800 CPU: 10089.3, 0.00312825/step Wall: 10089.3, 0.00312825/step, 1.5391 hours remaining, 234.937500 MB of memory in use. ENERGY: 3228800 4075.3232 20389.8540 14503.8062 250.7052 -202973.3070 2419.6504 0.0000 0.0000 52072.9522 -109261.0158 299.2640 -161333.9680 -108899.2584 299.1922 -342.5513 -312.7427 763437.0560 -2.5647 -2.4190 PRESSURE: 3229000 128.278 -122.871 110.147 -122.871 -125.558 -34.2874 110.147 -34.2879 -175.336 GPRESSURE: 3229000 238.073 -53.1257 136.257 -1.84485 -139.864 -25.9739 112.499 -132.303 -174.7 PRESSAVG: 3229000 -0.559317 -59.5478 13.9537 -59.5477 49.0622 -41.4528 13.9537 -41.4528 -17.5749 GPRESSAVG: 3229000 -0.685696 -62.6025 14.9801 -54.6711 49.07 -42.9618 14.0142 -38.4038 -16.9413 TIMING: 3229000 CPU: 10089.9, 0.00313464/step Wall: 10089.9, 0.00313464/step, 1.54207 hours remaining, 234.937500 MB of memory in use. ENERGY: 3229000 4014.6528 20405.5324 14448.1857 242.3499 -203105.7384 2487.2608 0.0000 0.0000 51915.2945 -109592.4624 298.3579 -161507.7569 -109240.8561 298.8220 -57.5385 -25.4970 761697.3250 10.3093 10.4810 PRESSURE: 3229200 25.1182 -236.847 41.0639 -236.846 196.298 0.0797997 41.0643 0.0798127 -302.035 GPRESSURE: 3229200 21.2974 -163.597 82.6616 -367.281 248.754 -115.163 5.46229 120.957 -280.929 PRESSAVG: 3229200 41.2164 7.07534 -23.819 7.07534 2.19285 30.2277 -23.819 30.2276 -22.7977 GPRESSAVG: 3229200 41.02 11.1084 -25.1234 3.54683 1.51659 30.2379 -24.2539 29.715 -22.9991 TIMING: 3229200 CPU: 10090.5, 0.00314499/step Wall: 10090.5, 0.00314499/step, 1.54699 hours remaining, 234.937500 MB of memory in use. ENERGY: 3229200 3912.2536 20574.1733 14451.9111 233.5774 -203046.1345 2488.9215 0.0000 0.0000 51876.4669 -109508.8307 298.1348 -161385.2976 -109156.2351 298.2923 -26.8730 -3.6256 763580.0440 6.8705 6.5125 PRESSURE: 3229400 326.059 46.184 -74.19 46.1839 309.669 -208.331 -74.191 -208.329 -104.624 GPRESSURE: 3229400 324.606 57.9264 -211.637 -39.1426 347.733 -140.961 -14.0354 -168.415 -60.3827 PRESSAVG: 3229400 -39.0623 -49.9466 -39.7339 -49.9466 69.8857 -5.53968 -39.7339 -5.5396 -2.2682 GPRESSAVG: 3229400 -40.2341 -54.5256 -38.085 -47.1672 69.8277 -5.81509 -40.1052 -7.49077 -1.33836 TIMING: 3229400 CPU: 10091.2, 0.00314658/step Wall: 10091.2, 0.00314658/step, 1.54759 hours remaining, 234.937500 MB of memory in use. ENERGY: 3229400 3895.7906 20304.8213 14458.0349 244.5248 -203526.6840 2938.1950 0.0000 0.0000 52146.7589 -109538.5585 299.6881 -161685.3174 -109179.2525 298.9069 177.0346 203.9856 761980.1811 9.5184 9.4184 PRESSURE: 3229600 43.8466 -271.384 77.9138 -271.383 -26.1543 -155.808 77.9137 -155.808 -121.786 GPRESSURE: 3229600 23.1157 -159.869 108.635 -230.012 15.7506 -155.334 46.4376 -166.713 -69.1482 PRESSAVG: 3229600 -42.0777 -58.1058 14.6745 -58.1058 74.3581 39.1652 14.6745 39.1653 -0.782772 GPRESSAVG: 3229600 -41.542 -55.8538 13.2869 -59.0057 73.9751 41.0768 12.9085 40.7777 -0.927932 TIMING: 3229600 CPU: 10091.8, 0.00312765/step Wall: 10091.8, 0.00312766/step, 1.53811 hours remaining, 234.937500 MB of memory in use. ENERGY: 3229600 3961.5507 20563.0153 14432.4559 242.2563 -203521.8199 2752.7096 0.0000 0.0000 51963.2691 -109606.5628 298.6336 -161569.8319 -109244.2024 298.7991 -34.6980 -10.0940 761939.8075 10.4992 10.5017 PRESSURE: 3229800 -274.299 106.67 118.693 106.671 -318.846 75.9694 118.694 75.9695 41.4968 GPRESSURE: 3229800 -247.716 9.73255 110.779 158.853 -271.982 82.1939 182.903 -61.6914 36.6623 PRESSAVG: 3229800 -2.99113 -55.8513 -6.04117 -55.8514 -8.58732 10.6737 -6.04118 10.6736 22.6831 GPRESSAVG: 3229800 -3.13797 -54.9943 -4.96744 -56.4407 -7.1948 9.12817 -3.73503 10.1467 21.5604 TIMING: 3229800 CPU: 10092.4, 0.00314248/step Wall: 10092.4, 0.00314248/step, 1.54523 hours remaining, 234.937500 MB of memory in use. ENERGY: 3229800 4012.5811 20469.4964 14379.2747 233.4599 -203452.3402 2655.4808 0.0000 0.0000 51952.8047 -109749.2426 298.5735 -161702.0474 -109388.3209 298.5991 -183.8827 -161.0121 761869.1907 3.7015 3.7425 PRESSURE: 3230000 122.025 179.189 -155.778 179.188 -4.80239 -29.0451 -155.778 -29.0464 343.064 GPRESSURE: 3230000 250.787 83.4659 -196.683 153.807 -26.3333 41.9463 -69.3557 12.0624 306.69 PRESSAVG: 3230000 -6.82386 -17.9559 -7.03479 -17.9559 28.154 -56.1337 -7.03476 -56.1337 -26.2458 GPRESSAVG: 3230000 -6.02105 -18.2102 -9.21042 -16.6436 26.9183 -55.5603 -6.79856 -57.3379 -25.7484 TIMING: 3230000 CPU: 10093.1, 0.00314775/step Wall: 10093.1, 0.00314775/step, 1.54764 hours remaining, 234.937500 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: 3230000 3993.7925 20340.2456 14492.9045 243.6459 -203546.6556 2863.9785 0.0000 0.0000 51782.9332 -109829.1555 297.5972 -161612.0887 -109477.4543 298.4635 153.4288 177.0480 760926.2975 -1.6386 -1.6171 PRESSURE: 3230200 -383.319 282.035 11.101 282.034 -113.573 -36.1588 11.101 -36.1579 -14.4011 GPRESSURE: 3230200 -244.041 257.271 -34.7691 204.434 -208.601 10.3633 -7.91921 -35.7502 46.9294 PRESSAVG: 3230200 30.4129 6.0208 -3.67221 6.0208 -13.2267 -57.5287 -3.67219 -57.5286 14.3309 GPRESSAVG: 3230200 30.3603 6.68664 -1.7048 4.09938 -13.1891 -57.7985 -2.82769 -54.2735 14.6628 TIMING: 3230200 CPU: 10093.7, 0.0031295/step Wall: 10093.7, 0.0031295/step, 1.5385 hours remaining, 234.937500 MB of memory in use. ENERGY: 3230200 4020.2389 20345.0525 14448.6125 239.1599 -203261.8428 2490.8895 0.0000 0.0000 52091.4405 -109626.4489 299.3702 -161717.8894 -109261.7331 298.8605 -170.4311 -135.2374 761210.8473 10.5057 10.6114 PRESSURE: 3230400 -36.8951 -151.494 240.366 -151.494 11.8913 178.769 240.365 178.768 -49.3409 GPRESSURE: 3230400 -49.716 44.628 276.177 -19.199 121.97 157.249 191.347 105.848 -30.2007 PRESSAVG: 3230400 -24.0569 18.3813 18.5793 18.3813 37.1214 -32.4145 18.5793 -32.4146 -11.2043 GPRESSAVG: 3230400 -24.0897 17.8774 19.0346 20.4406 38.0212 -31.491 15.9323 -35.3333 -12.1074 TIMING: 3230400 CPU: 10094.3, 0.00311678/step Wall: 10094.3, 0.00311678/step, 1.53207 hours remaining, 234.937500 MB of memory in use. ENERGY: 3230400 3974.2655 20321.1588 14419.3468 229.0486 -203340.2730 2800.7192 0.0000 0.0000 52009.5360 -109586.1980 298.8995 -161595.7341 -109225.5643 299.0567 -24.7816 14.0179 762432.0965 0.6201 0.6080 PRESSURE: 3230600 239.362 -200.353 -78.0008 -200.353 233.031 -175.581 -78.0006 -175.58 -13.483 GPRESSURE: 3230600 293.705 -239.928 -34.0931 -147.285 327.386 -180.183 -50.4362 -256.697 -81.6503 PRESSAVG: 3230600 6.33699 26.1878 30.5528 26.1878 28.4198 -28.7904 30.5528 -28.7903 -30.0236 GPRESSAVG: 3230600 6.00554 25.5693 30.0407 25.5658 28.9151 -28.4159 31.7697 -28.2529 -30.4008 TIMING: 3230600 CPU: 10094.9, 0.00315814/step Wall: 10094.9, 0.00315814/step, 1.55222 hours remaining, 234.937500 MB of memory in use. ENERGY: 3230600 3950.9423 20533.9532 14445.5401 245.0349 -203783.0385 2964.3686 0.0000 0.0000 52063.8441 -109579.3554 299.2116 -161643.1994 -109215.8311 299.1853 152.9702 179.8139 761127.1724 1.5777 1.5066 PRESSURE: 3230800 59.0577 69.305 -124.171 69.3056 -237.031 -88.0095 -124.171 -88.0097 136.79 GPRESSURE: 3230800 127.875 -17.3826 -129.208 131.285 -189.939 -50.3512 -41.599 -156.151 80.0406 PRESSAVG: 3230800 16.9238 -26.7741 2.17446 -26.7741 -19.5775 -26.0759 2.17446 -26.0759 -8.33553 GPRESSAVG: 3230800 17.5941 -26.171 0.559915 -27.5006 -20.2767 -27.1688 1.7272 -26.5039 -8.30123 TIMING: 3230800 CPU: 10095.6, 0.00315515/step Wall: 10095.6, 0.00315515/step, 1.55058 hours remaining, 234.937500 MB of memory in use. ENERGY: 3230800 4001.7405 20617.1954 14419.9218 262.6293 -203342.9899 2639.5325 0.0000 0.0000 51887.6246 -109514.3457 298.1989 -161401.9703 -109152.5207 298.9303 -13.7280 5.9924 762604.3186 -3.6631 -3.6613 PRESSURE: 3231000 -223.481 17.0438 116.524 17.044 -407.836 97.2812 116.523 97.283 110.599 GPRESSURE: 3231000 -194.871 63.6606 153.452 41.745 -292.848 105.974 24.8249 11.2892 60.2498 PRESSAVG: 3231000 -27.261 74.9816 -5.20456 74.9816 40.3666 -8.05996 -5.2045 -8.05988 6.58261 GPRESSAVG: 3231000 -27.5992 73.6473 -3.85735 76.4827 41.1646 -8.08358 -5.47659 -9.36296 5.83968 TIMING: 3231000 CPU: 10096.2, 0.00313616/step Wall: 10096.2, 0.00313616/step, 1.54107 hours remaining, 234.937500 MB of memory in use. ENERGY: 3231000 3985.9589 20481.0118 14424.5494 260.0387 -203244.4126 2721.3324 0.0000 0.0000 51838.5982 -109532.9230 297.9171 -161371.5212 -109168.0602 298.7591 -173.5728 -142.4895 763107.2382 6.5627 6.4683 PRESSURE: 3231200 -44.6879 -172.099 -151.176 -172.099 -284.374 -297.195 -151.176 -297.194 331.887 GPRESSURE: 3231200 19.6958 -205.296 -202.534 -70.7376 -173.157 -248.677 -137.735 -180.39 254.423 PRESSAVG: 3231200 5.62745 8.29882 27.9452 8.29884 27.4702 15.5584 27.9452 15.5584 2.2081 GPRESSAVG: 3231200 6.76511 9.65441 27.6046 5.89228 25.864 14.7964 27.956 18.167 2.5008 TIMING: 3231200 CPU: 10096.8, 0.00313454/step Wall: 10096.8, 0.00313454/step, 1.5401 hours remaining, 234.937500 MB of memory in use. ENERGY: 3231200 4010.4259 20348.6387 14487.8136 237.5014 -203575.6390 3045.3824 0.0000 0.0000 51942.3407 -109503.5364 298.5133 -161445.8771 -109139.2508 298.7253 0.9418 33.6537 761523.1597 11.7686 11.7100 PRESSURE: 3231400 116.526 179.441 -155.883 179.44 311.664 -35.5023 -155.884 -35.5013 595.556 GPRESSURE: 3231400 192.495 232.446 -166.32 19.4321 329.08 6.42136 -159.618 -0.889713 599.23 PRESSAVG: 3231400 44.8292 17.5316 -31.7583 17.5317 -21.1363 -23.4223 -31.7582 -23.4223 33.2033 GPRESSAVG: 3231400 44.7946 18.215 -32.045 17.6529 -20.9127 -22.8429 -32.2025 -22.4252 33.3843 TIMING: 3231400 CPU: 10097.5, 0.0031437/step Wall: 10097.5, 0.0031437/step, 1.54443 hours remaining, 234.937500 MB of memory in use. ENERGY: 3231400 3980.2264 20604.8892 14458.6752 268.4797 -203328.8411 2738.2046 0.0000 0.0000 51941.7835 -109336.5826 298.5101 -161278.3661 -108981.1658 298.9788 341.2485 373.6019 762576.6043 18.9654 19.0887 PRESSURE: 3231600 -334.041 72.0046 89.3564 72.0049 225.088 37.0886 89.3567 37.0896 166.38 GPRESSURE: 3231600 -244.368 60.1891 119.154 44.9714 175.757 88.2887 70.8515 -13.371 212.757 PRESSAVG: 3231600 -10.173 32.5437 -61.6926 32.5436 36.8798 -22.1539 -61.6925 -22.1539 0.604413 GPRESSAVG: 3231600 -10.3505 30.3221 -61.6241 33.0201 37.2349 -22.6666 -60.0741 -23.0147 -0.386483 TIMING: 3231600 CPU: 10098.1, 0.00313291/step Wall: 10098.1, 0.00313291/step, 1.53896 hours remaining, 234.937500 MB of memory in use. ENERGY: 3231600 3940.2078 20620.0687 14398.8718 246.3148 -203090.3297 2632.0686 0.0000 0.0000 51991.1204 -109261.6777 298.7937 -161252.7981 -108890.2716 299.3755 19.1423 48.0486 761546.9644 9.1038 8.8326 PRESSURE: 3231800 195.158 86.7454 -15.4156 86.7459 180.983 -246.48 -15.4153 -246.481 27.9937 GPRESSURE: 3231800 247.8 -63.3375 -46.4044 116.691 137.326 -281.212 26.2199 -218.362 109.685 PRESSAVG: 3231800 65.5249 -77.6354 -16.8549 -77.6354 -80.0153 -13.6072 -16.855 -13.6073 29.5362 GPRESSAVG: 3231800 65.4802 -77.5336 -17.1358 -77.8186 -80.0228 -13.7151 -16.9958 -16.0545 29.5084 TIMING: 3231800 CPU: 10098.7, 0.00313133/step Wall: 10098.7, 0.00313133/step, 1.538 hours remaining, 234.937500 MB of memory in use. ENERGY: 3231800 4063.7403 20652.9678 14398.4710 253.5696 -203125.3808 2657.3774 0.0000 0.0000 52084.9474 -109014.3072 299.3329 -161099.2547 -108659.8861 299.8223 134.7118 164.9370 762648.3313 5.0153 4.9886 PRESSURE: 3232000 49.8411 -28.2409 -50.4164 -28.2407 -101.346 35.8545 -50.4157 35.854 -159.561 GPRESSURE: 3232000 66.9841 -30.2925 -63.9434 2.62773 -58.2917 -8.66366 -126.908 69.2891 -145.149 PRESSAVG: 3232000 13.218 -48.0609 -2.88998 -48.0609 -0.779866 -31.0514 -2.89005 -31.0513 -3.00404 GPRESSAVG: 3232000 13.31 -45.3271 -2.88685 -49.5586 -1.753 -29.9533 -4.62523 -29.6355 -2.34043 TIMING: 3232000 CPU: 10099.3, 0.00311359/step Wall: 10099.3, 0.00311359/step, 1.52912 hours remaining, 234.937500 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: 3232000 4039.8150 20695.3348 14476.6510 236.8002 -203416.6569 2864.3809 0.0000 0.0000 52111.7919 -108991.8832 299.4872 -161103.6751 -108618.4984 299.7015 -70.3555 -45.4855 762096.7742 3.1447 3.0722 PRESSURE: 3232200 -4.4092 -328.98 -316.851 -328.979 68.6478 -119.441 -316.851 -119.441 110.231 GPRESSURE: 3232200 38.3489 -157.026 -194.873 -334.893 133.902 -131.597 -413.327 -20.1922 77.4147 PRESSAVG: 3232200 14.5823 -22.4688 -58.3659 -22.4689 -6.83918 -43.7523 -58.366 -43.7523 6.88463 GPRESSAVG: 3232200 13.7808 -22.6054 -58.4794 -21.2089 -5.94649 -43.4436 -58.8839 -44.3919 6.78883 TIMING: 3232200 CPU: 10100, 0.00311388/step Wall: 10100, 0.00311388/step, 1.52909 hours remaining, 234.937500 MB of memory in use. ENERGY: 3232200 4047.3640 20714.5028 14477.2999 231.7201 -203509.0614 2755.5460 0.0000 0.0000 52070.7973 -109211.8313 299.2516 -161282.6285 -108857.0502 300.0938 58.1566 83.2219 761993.1688 4.8759 4.8744 LDB: ============= START OF LOAD BALANCING ============== 10112.4 LDB: ============== END OF LOAD BALANCING =============== 10112.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10112.4 LDB: ============= START OF LOAD BALANCING ============== 10112.7 LDB: Largest compute 7007 load 0.031434 is 16.1% of average load 0.195213 LDB: Average compute 0.004400 is 2.3% of average load 0.195213 LDB: TIME 10112.7 LOAD: AVG 0.195213 MAX 0.213447 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.02 MB LDB: TIME 10112.7 LOAD: AVG 0.195213 MAX 0.213447 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.113 MB LDB: TIME 10112.7 LOAD: AVG 0.195213 MAX 0.213447 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.113 MB LDB: ============== END OF LOAD BALANCING =============== 10112.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10112.8 PRESSURE: 3232400 84.3925 244.521 336.565 244.52 8.10943 -25.8287 336.565 -25.8289 240.877 GPRESSURE: 3232400 149.125 120.545 355.694 199.923 44.0488 47.2408 244.143 -20.8429 240.732 PRESSAVG: 3232400 1.78448 -3.45831 -14.2567 -3.45824 9.55123 2.60367 -14.2567 2.60367 11.1406 GPRESSAVG: 3232400 1.82442 -3.21088 -14.0878 -4.52862 10.0179 2.57151 -13.6533 3.91414 10.8935 TIMING: 3232400 CPU: 10100.6, 0.00317343/step Wall: 10100.6, 0.00317343/step, 1.55815 hours remaining, 233.511719 MB of memory in use. ENERGY: 3232400 3999.1911 20519.2177 14480.5311 239.6801 -203578.5058 2689.8594 0.0000 0.0000 52290.7522 -109359.2742 300.5157 -161650.0265 -108995.7064 299.9246 111.1263 144.6353 761151.3503 7.4921 7.5786 PRESSURE: 3232600 77.6384 -179.408 -214.792 -179.408 25.3884 118.392 -214.792 118.393 -107.82 GPRESSURE: 3232600 106.776 -65.7654 -253.847 -114.081 85.5684 67.7901 -25.8344 94.5012 -102.932 PRESSAVG: 3232600 -8.60699 -28.6348 6.53789 -28.6348 -4.72427 11.1798 6.53792 11.1797 -5.48192 GPRESSAVG: 3232600 -7.82317 -28.8665 6.55686 -27.6437 -5.39514 10.9235 8.17085 11.0624 -5.53859 TIMING: 3232600 CPU: 10101.2, 0.00315687/step Wall: 10101.2, 0.00315687/step, 1.54985 hours remaining, 233.511719 MB of memory in use. ENERGY: 3232600 3987.3735 20656.7942 14475.2690 254.9367 -203659.6656 2983.5085 0.0000 0.0000 52096.9130 -109204.8706 299.4017 -161301.7837 -108848.4442 299.5953 -1.5976 29.8043 762073.0758 -6.2711 -6.2523 PRESSURE: 3232800 -15.5758 6.95061 75.0071 6.9502 -21.2052 -54.4318 75.0064 -54.4323 -358.814 GPRESSURE: 3232800 -44.498 -0.211824 81.6292 -20.0588 -18.2494 -30.084 -38.7326 -104.312 -273.348 PRESSAVG: 3232800 21.0263 -37.3632 1.30342 -37.3632 -2.88599 29.3305 1.30339 29.3306 4.70189 GPRESSAVG: 3232800 19.5432 -36.7352 2.27533 -37.2864 -2.155 30.2214 0.770437 28.6397 5.64752 TIMING: 3232800 CPU: 10101.8, 0.00312949/step Wall: 10101.8, 0.00312948/step, 1.53623 hours remaining, 233.511719 MB of memory in use. ENERGY: 3232800 3970.1404 20529.0188 14500.1214 249.0406 -203064.7621 2610.6924 0.0000 0.0000 51996.7069 -109209.0416 298.8258 -161205.7485 -108851.9174 299.6514 -131.8648 -112.0320 762370.3245 7.6141 7.6786 PRESSURE: 3233000 306.165 -280.037 -92.603 -280.037 46.1287 146.395 -92.6023 146.394 52.1906 GPRESSURE: 3233000 335.333 -262.006 4.79439 -124.246 123.128 138.538 -129.044 145.936 21.4536 PRESSAVG: 3233000 17.8648 -10.3855 10.2938 -10.3855 -27.6573 18.3331 10.2938 18.3331 -14.1104 GPRESSAVG: 3233000 19.7352 -11.9634 8.9929 -11.4735 -28.2314 17.3281 10.1195 18.3666 -14.9035 TIMING: 3233000 CPU: 10102.5, 0.00313552/step Wall: 10102.5, 0.00313552/step, 1.53902 hours remaining, 233.511719 MB of memory in use. ENERGY: 3233000 4080.6860 20572.1662 14444.4829 251.6371 -203709.7150 3057.5675 0.0000 0.0000 52282.5392 -109020.6361 300.4685 -161303.1753 -108653.3755 299.3473 134.8280 159.9716 763908.1269 -7.9676 -7.7999 PRESSURE: 3233200 -218.312 8.63719 210.994 8.63743 -99.3886 86.2275 210.994 86.227 -143.42 GPRESSURE: 3233200 -167.467 -48.3276 211.143 -11.6037 -53.9339 70.3467 237.73 95.8088 -141.777 PRESSAVG: 3233200 -2.91481 -28.1793 39.3744 -28.1794 34.373 -7.88547 39.3744 -7.88549 24.0959 GPRESSAVG: 3233200 -2.85939 -29.4212 38.6223 -27.2511 34.4311 -9.91377 40.2148 -8.25391 24.7364 TIMING: 3233200 CPU: 10103.1, 0.00313077/step Wall: 10103.1, 0.00313077/step, 1.53651 hours remaining, 233.511719 MB of memory in use. ENERGY: 3233200 3965.1410 20587.7359 14464.3227 249.7497 -203052.1912 2593.4581 0.0000 0.0000 51864.5051 -109327.2787 298.0660 -161191.7838 -108955.4065 299.5070 -153.7070 -121.0592 764226.9309 18.5180 18.7694 PRESSURE: 3233400 103.52 68.2186 -123.654 68.2188 -176.531 34.1355 -123.654 34.1353 324.427 GPRESSURE: 3233400 77.0537 134.002 -57.3161 23.3853 -45.0267 15.6527 -152.001 86.3695 305.322 PRESSAVG: 3233400 1.06389 -40.3824 -21.4549 -40.3824 6.87945 -13.4425 -21.4549 -13.4425 9.38962 GPRESSAVG: 3233400 0.866112 -39.1861 -20.1098 -40.5703 6.74883 -12.8481 -23.6345 -12.2957 10.1562 TIMING: 3233400 CPU: 10103.7, 0.00313248/step Wall: 10103.7, 0.00313248/step, 1.53718 hours remaining, 233.511719 MB of memory in use. ENERGY: 3233400 3942.6077 20619.7779 14410.6692 222.8203 -203385.3552 2713.2936 0.0000 0.0000 52216.2958 -109259.8907 300.0878 -161476.1865 -108892.6292 299.4649 83.8056 112.4495 762988.8168 5.7777 5.9237 PRESSURE: 3233600 -124.138 -110.433 -59.0172 -110.432 53.266 87.8128 -59.017 87.812 48.5403 GPRESSURE: 3233600 -165.935 -119.674 -2.88847 -46.7369 140.678 29.6457 -38.0792 119.346 97.9229 PRESSAVG: 3233600 -15.5759 -10.3389 -68.7413 -10.3389 25.2081 28.7991 -68.7413 28.7991 0.417924 GPRESSAVG: 3233600 -12.9723 -10.5948 -68.793 -9.68625 24.5242 28.9327 -67.9994 26.905 -0.764567 TIMING: 3233600 CPU: 10104.3, 0.00311239/step Wall: 10104.3, 0.00311239/step, 1.52714 hours remaining, 233.511719 MB of memory in use. ENERGY: 3233600 3981.7362 20339.9446 14423.1144 245.8474 -202934.5863 2386.3499 0.0000 0.0000 52268.6751 -109288.9187 300.3888 -161557.5938 -108924.7551 299.4531 -7.4438 24.2218 762704.6481 3.3500 3.5958 PRESSURE: 3233800 -328.894 -83.5376 -106.943 -83.5372 -203.626 -203.038 -106.943 -203.038 229.095 GPRESSURE: 3233800 -322.969 -12.8704 -103.67 -116.207 -135.165 -170.889 -41.763 -98.6022 232.178 PRESSAVG: 3233800 3.53731 -29.1545 -31.2267 -29.1545 -5.56702 -50.2262 -31.2266 -50.2261 -10.6583 GPRESSAVG: 3233800 1.56211 -28.1002 -31.5248 -30.1035 -4.64296 -48.2657 -30.053 -49.6257 -9.34649 TIMING: 3233800 CPU: 10105, 0.00312267/step Wall: 10105, 0.00312267/step, 1.53201 hours remaining, 233.511719 MB of memory in use. ENERGY: 3233800 3904.4354 20574.0997 14483.3062 233.7587 -203099.7763 2580.2159 0.0000 0.0000 52045.4505 -109278.5098 299.1059 -161323.9603 -108918.7981 299.2686 -101.1414 -75.3186 764017.3406 -4.2293 -4.1424 PRESSURE: 3234000 -161.469 -49.6876 -150.56 -49.6879 -36.0426 120.701 -150.561 120.701 -236.91 GPRESSURE: 3234000 -192.349 -95.6612 -223.79 -89.2578 20.2705 69.5001 -145.267 185.886 -169.912 PRESSAVG: 3234000 3.33458 -29.278 -43.421 -29.278 -4.5622 -14.5113 -43.4211 -14.5112 7.96442 GPRESSAVG: 3234000 4.35716 -30.7107 -43.4364 -27.7787 -5.06768 -14.8494 -43.7663 -14.1547 7.28702 TIMING: 3234000 CPU: 10105.6, 0.00314711/step Wall: 10105.6, 0.00314711/step, 1.54383 hours remaining, 233.511719 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: 3234000 3946.6627 20485.5353 14442.2740 234.5126 -203438.2273 2688.2120 0.0000 0.0000 52227.0028 -109414.0279 300.1493 -161641.0306 -109053.5270 299.4432 -144.8072 -113.9969 762067.5297 2.2456 2.1922 PRESSURE: 3234200 15.5338 -22.3252 334.616 -22.3239 -302.117 -145.622 334.615 -145.622 -168.559 GPRESSURE: 3234200 79.9864 50.1919 352.204 -72.6574 -324.996 -250.917 168.869 -164.047 -137.227 PRESSAVG: 3234200 -6.9518 25.3234 -25.0706 25.3235 -2.4462 -47.2113 -25.0706 -47.2114 -16.8985 GPRESSAVG: 3234200 -7.86905 24.8657 -25.5376 25.2131 -1.73979 -48.6735 -26.7275 -45.8279 -16.4528 TIMING: 3234200 CPU: 10106.2, 0.00312789/step Wall: 10106.2, 0.00312789/step, 1.53423 hours remaining, 233.511719 MB of memory in use. ENERGY: 3234200 4103.9660 20348.7512 14442.3410 264.8971 -203630.8874 2875.9520 0.0000 0.0000 52016.4752 -109578.5050 298.9394 -161594.9802 -109215.5050 299.0248 -151.7141 -127.4121 762452.0686 -8.7655 -8.6872 PRESSURE: 3234400 162.828 -112.334 245.887 -112.334 103.132 108.211 245.887 108.209 -74.6343 GPRESSURE: 3234400 207.909 -251.703 184.838 -18.9126 197.725 75.6586 257.544 302.664 -136.024 PRESSAVG: 3234400 7.49192 7.37023 2.50595 7.37026 -8.79612 -10.1131 2.50597 -10.1132 -1.1789 GPRESSAVG: 3234400 7.46458 7.96943 3.35948 8.68932 -10.0151 -7.98112 2.5883 -11.6257 -0.371197 TIMING: 3234400 CPU: 10106.9, 0.00312707/step Wall: 10106.9, 0.00312707/step, 1.53365 hours remaining, 233.511719 MB of memory in use. ENERGY: 3234400 4018.1816 20572.6569 14447.0999 230.1265 -203696.2253 2780.8426 0.0000 0.0000 52118.6295 -109528.6883 299.5265 -161647.3178 -109157.6931 299.2104 63.7753 89.8702 760378.3562 -0.8277 -0.9739 PRESSURE: 3234600 -116.63 -225.704 40.596 -225.704 -90.238 119.829 40.5962 119.829 10.4217 GPRESSURE: 3234600 -94.7217 -108.04 -29.1628 -194.339 -16.8709 -1.30151 -48.3192 152.683 -8.00846 PRESSAVG: 3234600 2.95138 -69.3423 -14.258 -69.3424 -2.03006 -30.6977 -14.258 -30.6977 7.33731 GPRESSAVG: 3234600 4.50408 -68.6939 -13.0783 -71.5094 -2.49268 -30.7116 -14.4024 -29.8613 6.23275 TIMING: 3234600 CPU: 10107.5, 0.00311984/step Wall: 10107.5, 0.00311984/step, 1.52993 hours remaining, 233.511719 MB of memory in use. ENERGY: 3234600 4008.0721 20466.1366 14447.0460 242.8627 -203533.7028 2681.8184 0.0000 0.0000 51980.7982 -109706.9687 298.7344 -161687.7669 -109335.3362 298.2227 -65.4821 -39.8670 761525.2483 2.7529 2.7481 PRESSURE: 3234800 -186.305 59.118 102.558 59.118 62.2093 -108.863 102.557 -108.862 -302.503 GPRESSURE: 3234800 -140.119 94.8394 51.4738 60.1534 15.6419 -115.175 164.59 -251.297 -223.565 PRESSAVG: 3234800 24.1161 -30.8276 -19.5635 -30.8276 32.2607 -25.6212 -19.5634 -25.6212 -22.3288 GPRESSAVG: 3234800 23.0423 -29.9871 -20.3885 -31.4734 32.8679 -26.3471 -17.8345 -26.3037 -21.755 TIMING: 3234800 CPU: 10108.1, 0.0031167/step Wall: 10108.1, 0.0031167/step, 1.52822 hours remaining, 233.511719 MB of memory in use. ENERGY: 3234800 4006.9128 20425.2707 14419.9674 251.7385 -203126.1102 2368.0379 0.0000 0.0000 51916.7775 -109737.4054 298.3664 -161654.1829 -109375.5209 298.7426 -142.1997 -116.0141 761678.0186 11.3493 11.3851 PRESSURE: 3235000 -162.62 104.29 -91.0483 104.289 -350.611 78.4126 -91.049 78.4129 -12.5141 GPRESSURE: 3235000 -152.054 19.2971 -143.375 197.544 -272.021 177.179 -79.4268 37.1045 -29.3661 PRESSAVG: 3235000 9.32943 -8.64158 -44.3682 -8.64153 10.6011 -6.76627 -44.3682 -6.76621 10.6117 GPRESSAVG: 3235000 9.16297 -10.127 -46.0264 -5.8168 10.8118 -5.40986 -42.9548 -5.43588 10.0516 TIMING: 3235000 CPU: 10108.7, 0.00312176/step Wall: 10108.7, 0.00312176/step, 1.53053 hours remaining, 233.511719 MB of memory in use. ENERGY: 3235000 3990.6964 20557.6023 14466.4587 256.9409 -203488.3329 2775.4598 0.0000 0.0000 51723.8530 -109717.3218 297.2577 -161441.1749 -109368.1500 298.4534 -175.2485 -151.1470 763136.0267 10.1807 10.0088 PRESSURE: 3235200 177.735 -27.1455 180.563 -27.1467 -58.0014 161.761 180.563 161.761 11.5474 GPRESSURE: 3235200 196.397 -55.097 170.084 -54.4608 -38.7899 51.602 105.6 126.437 70.635 PRESSAVG: 3235200 -3.4545 -1.12415 -56.0847 -1.12414 34.6186 -26.5242 -56.0847 -26.5242 -5.03432 GPRESSAVG: 3235200 -4.64304 -0.47435 -53.9985 -3.30117 33.9371 -27.7792 -58.5951 -27.3912 -3.07467 TIMING: 3235200 CPU: 10109.3, 0.00312172/step Wall: 10109.3, 0.00312172/step, 1.53034 hours remaining, 233.511719 MB of memory in use. ENERGY: 3235200 3970.5040 20346.3493 14538.5289 248.3900 -203804.3508 2919.1633 0.0000 0.0000 51928.3122 -109853.1032 298.4327 -161781.4154 -109495.7380 298.4058 43.7602 76.0806 763095.4961 8.7099 8.7398 PRESSURE: 3235400 49.1702 -100.783 -287.46 -100.784 59.6351 -215.115 -287.46 -215.115 -48.4115 GPRESSURE: 3235400 78.6077 -51.9795 -300.615 -125.088 115.593 -166.324 -108.456 -119.396 -44.3126 PRESSAVG: 3235400 -81.1683 0.943942 -72.466 0.943969 24.9974 -28.7377 -72.466 -28.7376 -4.63564 GPRESSAVG: 3235400 -80.3173 0.981448 -72.3115 0.580981 25.4161 -28.6749 -70.3341 -28.3763 -6.00433 TIMING: 3235400 CPU: 10110, 0.00313164/step Wall: 10110, 0.00313164/step, 1.53503 hours remaining, 233.511719 MB of memory in use. ENERGY: 3235400 4018.2469 20443.1096 14403.9349 249.2606 -203795.0535 2784.0699 0.0000 0.0000 51895.8283 -110000.6032 298.2460 -161896.4316 -109637.3229 298.0684 20.1313 49.9626 762590.0230 -20.2689 -20.3018 PRESSURE: 3235600 -21.6876 -124.617 117.762 -124.617 -55.7072 87.0293 117.762 87.0295 359.271 GPRESSURE: 3235600 29.4855 -124.917 154.918 -58.0182 -47.5547 -3.12373 100.738 28.4488 363.219 PRESSAVG: 3235600 -74.7429 -18.8123 -17.749 -18.8124 33.8929 -47.8178 -17.749 -47.8178 5.30186 GPRESSAVG: 3235600 -74.8918 -19.1177 -18.572 -17.5109 34.5745 -48.4823 -18.6571 -48.2603 4.94791 TIMING: 3235600 CPU: 10110.6, 0.00312487/step Wall: 10110.6, 0.00312487/step, 1.53153 hours remaining, 233.511719 MB of memory in use. ENERGY: 3235600 3913.0751 20405.9909 14429.5453 240.5206 -203719.6740 2681.5070 0.0000 0.0000 51873.0405 -110175.9947 298.1151 -162049.0352 -109808.4799 297.5807 93.9588 115.0499 762457.2987 -11.8494 -11.7898 PRESSURE: 3235800 232.964 101.341 108.468 101.342 38.5015 31.2052 108.468 31.205 30.5047 GPRESSURE: 3235800 285.474 67.0883 106.888 74.0677 61.3939 53.4382 76.7726 33.1363 33.65 PRESSAVG: 3235800 29.0478 -49.0992 23.9679 -49.0993 14.2137 -5.0239 23.9679 -5.02382 22.3712 GPRESSAVG: 3235800 30.2524 -48.6493 24.3043 -48.4935 13.1182 -3.11536 22.5599 -4.06768 22.3623 TIMING: 3235800 CPU: 10111.2, 0.00312881/step Wall: 10111.2, 0.00312881/step, 1.53329 hours remaining, 233.511719 MB of memory in use. ENERGY: 3235800 4049.8158 20433.2061 14438.7362 255.5559 -204094.8108 3052.5808 0.0000 0.0000 51805.9671 -110058.9488 297.7296 -161864.9159 -109706.5949 297.4522 100.6566 126.8394 762143.8667 21.8776 21.9110 PRESSURE: 3236000 -46.0635 87.7204 65.6748 87.7204 27.7134 214.003 65.6745 214.004 277.51 GPRESSURE: 3236000 -8.23335 27.3001 124.651 126.113 25.8506 164.262 -10.4988 191.061 326.11 PRESSAVG: 3236000 -37.6793 -24.2066 -7.46372 -24.2066 43.7235 -46.1037 -7.46372 -46.1038 -21.0814 GPRESSAVG: 3236000 -38.4283 -23.4316 -5.77798 -23.2273 43.748 -46.6791 -9.04272 -45.342 -20.4557 TIMING: 3236000 CPU: 10111.9, 0.00313461/step Wall: 10111.9, 0.00313461/step, 1.53596 hours remaining, 233.511719 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: 3236000 3974.6034 20577.4384 14553.0383 244.7654 -203847.6205 2680.4719 0.0000 0.0000 51959.9373 -109857.3658 298.6145 -161817.3031 -109494.8724 298.1985 86.3867 114.5757 760496.5942 -5.0124 -5.0453 PRESSURE: 3236200 -13.8008 -57.1497 21.8202 -57.1493 -127.684 40.67 21.8206 40.6705 275.873 GPRESSURE: 3236200 -1.35278 -71.3738 39.4133 -83.4082 -68.5391 -5.40003 0.788036 61.4495 279.764 PRESSAVG: 3236200 60.4117 2.1982 -16.9676 2.19824 -37.1485 -32.1158 -16.9675 -32.1158 35.0769 GPRESSAVG: 3236200 59.9041 1.6114 -17.7889 0.196918 -36.8623 -31.1014 -13.7473 -33.2668 35.4561 TIMING: 3236200 CPU: 10112.5, 0.00313532/step Wall: 10112.5, 0.00313532/step, 1.53613 hours remaining, 233.511719 MB of memory in use. ENERGY: 3236200 3884.8486 20498.6752 14508.6569 225.8734 -203745.8212 2823.1609 0.0000 0.0000 51844.2904 -109960.3158 297.9498 -161804.6062 -109596.7541 298.1823 44.7962 69.9574 761958.5802 19.4467 19.4993 LDB: ============= START OF LOAD BALANCING ============== 10125 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10125 LDB: =============== DONE WITH MIGRATION ================ 10125 LDB: ============= START OF LOAD BALANCING ============== 10125.3 LDB: Largest compute 7007 load 0.030360 is 15.6% of average load 0.195230 LDB: Average compute 0.004388 is 2.2% of average load 0.195230 LDB: TIME 10125.3 LOAD: AVG 0.19523 MAX 0.214904 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.738 MB LDB: TIME 10125.3 LOAD: AVG 0.19523 MAX 0.214904 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.738 MB LDB: TIME 10125.3 LOAD: AVG 0.19523 MAX 0.214904 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.738 MB LDB: ============== END OF LOAD BALANCING =============== 10125.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10125.3 PRESSURE: 3236400 40.5485 63.5821 278.479 63.5829 278.427 -54.1963 278.48 -54.1965 86.5511 GPRESSURE: 3236400 191.627 80.1361 294.631 100.225 295.259 -56.7037 267.987 -68.3742 -13.2009 PRESSAVG: 3236400 19.222 -17.5695 1.45579 -17.5695 4.54085 -26.0354 1.4557 -26.0354 4.0253 GPRESSAVG: 3236400 19.9288 -19.784 0.705061 -16.3908 4.31982 -27.4401 -0.601502 -26.8493 3.16444 TIMING: 3236400 CPU: 10113.1, 0.00321883/step Wall: 10113.1, 0.00321883/step, 1.57687 hours remaining, 235.968750 MB of memory in use. ENERGY: 3236400 3946.3127 20604.2262 14504.5776 248.5590 -204058.2608 2987.2218 0.0000 0.0000 51799.9400 -109967.4236 297.6950 -161767.3635 -109609.1658 298.1071 135.1755 157.8950 760374.4125 9.2627 9.1377 PRESSURE: 3236600 -34.4326 -101.061 -122.353 -101.062 -331.953 -170.509 -122.353 -170.509 -405.471 GPRESSURE: 3236600 31.3106 -183.496 -22.5149 -53.8604 -215.616 -186.073 -67.2772 -120.933 -492.297 PRESSAVG: 3236600 26.2737 -35.9619 -48.4135 -35.962 -20.2943 0.363536 -48.4135 0.363504 -9.50548 GPRESSAVG: 3236600 25.4924 -35.4538 -48.9721 -35.9143 -19.722 0.431841 -47.0498 0.4317 -9.5411 TIMING: 3236600 CPU: 10113.7, 0.0031297/step Wall: 10113.7, 0.0031297/step, 1.53303 hours remaining, 236.171875 MB of memory in use. ENERGY: 3236600 4028.6620 20337.7881 14485.9912 255.7854 -203853.3411 2727.3689 0.0000 0.0000 52082.6080 -109935.1376 299.3195 -162017.7456 -109563.8640 297.9989 -257.2856 -225.5339 760776.4441 -1.1754 -1.2569 PRESSURE: 3236800 156.969 -140.033 115.954 -140.033 -30.386 130.109 115.953 130.11 -431.973 GPRESSURE: 3236800 199.486 -150.121 121.115 -98.3944 -56.0144 144.266 60.3583 142.961 -381.092 PRESSAVG: 3236800 -4.47518 18.9082 -18.3622 18.9082 -13.1764 -8.50593 -18.3623 -8.50601 13.2752 GPRESSAVG: 3236800 -2.85347 19.8494 -19.1577 19.0875 -14.2949 -8.46595 -17.7609 -9.4128 12.5186 TIMING: 3236800 CPU: 10114.4, 0.00313153/step Wall: 10114.4, 0.00313153/step, 1.53376 hours remaining, 236.171875 MB of memory in use. ENERGY: 3236800 4033.7801 20493.7857 14473.9900 257.5745 -203700.9221 2606.0305 0.0000 0.0000 52266.9281 -109568.8332 300.3788 -161835.7613 -109197.3352 298.5139 -101.7966 -79.2069 760521.1551 -1.4588 -1.5432 PRESSURE: 3237000 27.1434 -92.5173 -51.4888 -92.5183 59.5535 125.879 -51.4892 125.88 -193.277 GPRESSURE: 3237000 171.644 -21.7209 -44.0142 -189.895 6.55498 134.972 -43.5101 190.033 -204.74 PRESSAVG: 3237000 -66.4467 -22.7832 6.95508 -22.7831 48.2075 11.0976 6.95499 11.0977 15.2174 GPRESSAVG: 3237000 -67.7735 -22.0944 7.68476 -24.0334 50.0195 10.1385 8.21557 12.6844 15.0983 TIMING: 3237000 CPU: 10115, 0.00312058/step Wall: 10115, 0.00312058/step, 1.52822 hours remaining, 236.171875 MB of memory in use. ENERGY: 3237000 4020.5121 20717.7068 14460.5214 259.2095 -203791.1141 2792.4126 0.0000 0.0000 52167.4809 -109373.2708 299.8072 -161540.7518 -109009.0998 298.7694 -35.5268 -8.8470 761740.4584 -1.0073 -0.8853 PRESSURE: 3237200 100.873 118.329 114.174 118.33 58.1587 -201.055 114.173 -201.056 -105.034 GPRESSURE: 3237200 115.952 186.107 157.952 122.23 67.2245 -165.884 -6.11267 -312.907 -45.9854 PRESSAVG: 3237200 -30.4209 -8.81125 -10.7954 -8.81128 16.7978 15.8873 -10.7954 15.8873 19.9909 GPRESSAVG: 3237200 -29.6587 -9.26241 -10.6022 -7.42216 17.8537 17.561 -13.6314 13.9544 18.7168 TIMING: 3237200 CPU: 10115.6, 0.00311454/step Wall: 10115.6, 0.00311454/step, 1.52509 hours remaining, 236.171875 MB of memory in use. ENERGY: 3237200 3985.0439 20531.9237 14469.1459 262.8583 -203726.5745 3006.4077 0.0000 0.0000 52028.3905 -109442.8045 299.0079 -161471.1950 -109079.2001 299.3792 17.9994 45.7303 763281.0274 2.1226 2.3040 PRESSURE: 3237400 -284.018 242.603 -125.328 242.603 -112.579 32.2366 -125.329 32.237 -71.099 GPRESSURE: 3237400 -286.114 261.131 -132.281 265.865 -39.2178 -3.18366 -73.4871 57.6683 -64.9397 PRESSAVG: 3237400 -18.7129 -27.9916 -45.9919 -27.9916 -14.8844 -57.848 -45.9919 -57.848 5.02378 GPRESSAVG: 3237400 -18.9885 -28.6632 -46.0576 -29.845 -16.1937 -58.1753 -44.7578 -57.9531 6.89648 TIMING: 3237400 CPU: 10116.2, 0.00312351/step Wall: 10116.2, 0.00312351/step, 1.5293 hours remaining, 236.171875 MB of memory in use. ENERGY: 3237400 3954.4899 20533.8059 14455.8466 243.0645 -203722.0394 2899.8951 0.0000 0.0000 52045.1474 -109589.7901 299.1042 -161634.9374 -109228.4824 298.8712 -155.8986 -130.0906 763073.4759 -9.5245 -9.4286 PRESSURE: 3237600 -158.351 -38.9182 34.5094 -38.9193 -137.08 23.0834 34.5086 23.0827 -307.722 GPRESSURE: 3237600 -133.678 98.3904 98.7266 -47.4605 -63.9231 119.235 17.9559 -14.3491 -311.72 PRESSAVG: 3237600 -55.3853 3.60972 -0.390282 3.60967 30.7011 -52.1178 -0.390226 -52.1178 12.7423 GPRESSAVG: 3237600 -55.3066 5.54533 -0.520952 4.28948 31.3648 -53.1387 2.63191 -49.7117 12.4759 TIMING: 3237600 CPU: 10116.9, 0.00311373/step Wall: 10116.9, 0.00311373/step, 1.52434 hours remaining, 236.171875 MB of memory in use. ENERGY: 3237600 3983.7776 20711.3921 14454.2986 242.1218 -204227.0406 3113.1951 0.0000 0.0000 52039.6506 -109682.6048 299.0726 -161722.2554 -109318.9354 299.3435 -201.0508 -169.7738 761082.7408 -3.9806 -3.8220 PRESSURE: 3237800 -143.492 12.6089 154.961 12.609 -105.443 64.3485 154.96 64.3478 414.936 GPRESSURE: 3237800 12.6985 -164.474 163.286 47.8243 -144.806 84.1855 41.26 -79.9125 378.366 PRESSAVG: 3237800 14.3883 -26.3405 35.6385 -26.3405 -28.8132 -54.0364 35.6384 -54.0364 18.0179 GPRESSAVG: 3237800 16.1977 -29.1083 35.1675 -27.2382 -29.26 -53.8968 34.9145 -55.9197 16.7618 TIMING: 3237800 CPU: 10117.5, 0.00312364/step Wall: 10117.5, 0.00312364/step, 1.52902 hours remaining, 236.171875 MB of memory in use. ENERGY: 3237800 3900.1214 20663.1969 14477.0447 247.1000 -203994.7587 2827.6475 0.0000 0.0000 52069.9482 -109809.6999 299.2467 -161879.6482 -109442.3791 298.8181 55.3337 82.0862 761439.4739 1.1977 1.2332 PRESSURE: 3238000 170.286 -20.4539 221.111 -20.4533 6.37128 194.562 221.111 194.563 198.326 GPRESSURE: 3238000 162.279 -18.7908 196.473 28.5855 126.084 141.381 192.429 103.646 168.01 PRESSAVG: 3238000 6.40471 38.0079 45.7536 38.0079 12.7661 -36.6784 45.7537 -36.6784 -6.86579 GPRESSAVG: 3238000 5.53916 38.4855 46.8015 40.2857 12.8837 -36.934 42.7829 -35.2102 -6.14066 TIMING: 3238000 CPU: 10118.1, 0.00315573/step Wall: 10118.1, 0.00315573/step, 1.54456 hours remaining, 236.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3238000 4024.4037 20616.5271 14409.7295 229.7690 -203484.5067 2682.6678 0.0000 0.0000 51881.4387 -109639.9709 298.1633 -161521.4096 -109276.3412 299.2507 124.9943 152.1244 760406.0928 4.1017 4.0941 PRESSURE: 3238200 -138.625 156.598 99.8981 156.598 293.249 -190.706 99.8985 -190.706 126.027 GPRESSURE: 3238200 -32.9623 -11.9818 177.851 48.6519 319.111 -176.362 24.5976 -114.021 56.9252 PRESSAVG: 3238200 -0.795103 0.384255 51.3554 0.384311 17.738 -36.8507 51.3554 -36.8506 -29.0676 GPRESSAVG: 3238200 -0.579234 0.455984 51.2784 -2.22862 17.7158 -36.0323 50.8886 -36.5545 -29.1165 TIMING: 3238200 CPU: 10118.7, 0.00312994/step Wall: 10118.7, 0.00312994/step, 1.53176 hours remaining, 236.171875 MB of memory in use. ENERGY: 3238200 3969.2803 20473.8842 14429.3266 244.9880 -203901.0973 2859.5175 0.0000 0.0000 52051.2057 -109872.8950 299.1390 -161924.1007 -109509.3386 298.3663 93.5504 114.3579 760929.2588 -4.0416 -3.9933 PRESSURE: 3238400 47.1096 -166.181 188.868 -166.181 -72.6503 -177.974 188.868 -177.974 -69.2224 GPRESSURE: 3238400 132.931 -194.083 99.2309 -85.9605 -47.1584 -250.058 185.651 -3.35235 -108.154 PRESSAVG: 3238400 -72.0012 -45.308 21.2863 -45.308 18.1169 -15.6154 21.2863 -15.6154 6.26777 GPRESSAVG: 3238400 -72.7037 -45.5711 20.1744 -44.7248 18.5669 -15.5418 24.2094 -17.0658 6.3989 TIMING: 3238400 CPU: 10119.4, 0.00314783/step Wall: 10119.4, 0.00314783/step, 1.54034 hours remaining, 236.171875 MB of memory in use. ENERGY: 3238400 3962.7439 20529.7235 14416.3467 239.7755 -204041.6644 3035.9880 0.0000 0.0000 52177.1772 -109679.9096 299.8630 -161857.0868 -109316.8237 298.7858 -31.5877 -7.4604 760575.6662 -15.8722 -15.9126 PRESSURE: 3238600 -103.234 -21.988 43.2043 -21.9879 281.122 -244.695 43.2052 -244.695 225.691 GPRESSURE: 3238600 -3.02816 33.039 24.3713 -79.2404 317.133 -169.726 -44.0871 -168.894 159.739 PRESSAVG: 3238600 -19.3829 -25.8163 13.2642 -25.8163 -0.318704 -15.5088 13.2642 -15.5088 -3.33534 GPRESSAVG: 3238600 -19.4642 -23.7539 13.8882 -27.3331 -0.0422201 -14.4865 13.0324 -16.0538 -3.16272 TIMING: 3238600 CPU: 10120, 0.00311959/step Wall: 10120, 0.00311959/step, 1.52634 hours remaining, 236.171875 MB of memory in use. ENERGY: 3238600 3851.2024 20588.4581 14432.0038 261.9268 -203739.1234 2873.0434 0.0000 0.0000 51878.6312 -109853.8578 298.1472 -161732.4891 -109501.0674 298.9554 134.5265 157.9480 761364.7651 -7.6790 -7.5564 PRESSURE: 3238800 110.661 -15.1005 -288.12 -15.1005 -21.9353 0.582349 -288.12 0.582736 161.947 GPRESSURE: 3238800 48.383 11.3169 -204.482 -19.0806 66.2534 -52.3739 -182.397 -70.8439 221.606 PRESSAVG: 3238800 -11.0797 17.2249 24.1798 17.225 9.46256 -28.7689 24.1798 -28.769 5.73913 GPRESSAVG: 3238800 -13.1323 16.052 25.439 19.0767 10.0093 -30.8048 23.3819 -28.1527 6.83049 TIMING: 3238800 CPU: 10120.6, 0.00311536/step Wall: 10120.6, 0.00311536/step, 1.5241 hours remaining, 236.171875 MB of memory in use. ENERGY: 3238800 4041.8603 20584.6435 14528.3602 247.7609 -203717.4391 2854.2532 0.0000 0.0000 51854.5693 -109605.9917 298.0089 -161460.5610 -109250.2465 298.5979 83.5574 112.0808 761302.4144 1.3740 1.2358 PRESSURE: 3239000 71.594 -27.1648 -173.75 -27.164 -162.707 98.8091 -173.75 98.8099 -317.217 GPRESSURE: 3239000 24.2128 -56.4017 -196.648 -38.9785 -140.575 119.917 -148.29 54.8634 -200.647 PRESSAVG: 3239000 -31.2921 9.72488 23.245 9.7248 48.3638 -17.7301 23.245 -17.7301 -15.643 GPRESSAVG: 3239000 -29.2904 9.09653 23.9493 9.96991 48.2216 -17.3626 23.0798 -16.6288 -17.0229 TIMING: 3239000 CPU: 10121.2, 0.00311083/step Wall: 10121.2, 0.00311083/step, 1.52171 hours remaining, 236.171875 MB of memory in use. ENERGY: 3239000 4040.6767 20429.6335 14523.5067 263.8042 -203871.7896 2710.8283 0.0000 0.0000 52286.0035 -109617.3366 300.4884 -161903.3401 -109248.3720 298.7937 -136.1099 -105.6697 760774.4490 0.4762 0.6361 PRESSURE: 3239200 -321.649 -285.6 -13.2623 -285.6 -160.719 200.701 -13.262 200.701 92.6775 GPRESSURE: 3239200 -319.902 -275.591 -34.2614 -147.807 -76.7691 114.062 13.3499 168.517 93.7156 PRESSAVG: 3239200 5.88049 -68.4868 35.2591 -68.4868 2.59533 -6.6393 35.2592 -6.63931 5.85734 GPRESSAVG: 3239200 5.3119 -67.7856 34.0863 -68.1704 2.86812 -6.08836 36.2883 -9.22171 5.58383 TIMING: 3239200 CPU: 10121.9, 0.00312641/step Wall: 10121.9, 0.00312641/step, 1.52916 hours remaining, 236.171875 MB of memory in use. ENERGY: 3239200 4002.8455 20697.4726 14496.7244 247.7025 -203197.0215 2386.6329 0.0000 0.0000 51979.8744 -109385.7690 298.7291 -161365.6435 -109026.2975 299.0015 -129.8967 -100.9853 764324.5091 4.7777 4.5879 PRESSURE: 3239400 44.3363 0.996632 42.6819 0.995993 244.34 -121.891 42.6817 -121.891 -265.625 GPRESSURE: 3239400 32.0733 -150.737 37.6974 6.88089 285.696 -143.267 22.335 -63.9584 -229.511 PRESSAVG: 3239400 -16.9396 1.96713 -27.5531 1.96714 32.3847 -18.3855 -27.5531 -18.3854 5.55984 GPRESSAVG: 3239400 -16.1443 0.566573 -27.7658 0.45212 32.1389 -19.698 -29.5125 -17.1595 5.12492 TIMING: 3239400 CPU: 10122.5, 0.00312596/step Wall: 10122.5, 0.00312596/step, 1.52877 hours remaining, 236.171875 MB of memory in use. ENERGY: 3239400 3990.8663 20586.9715 14473.1643 242.1624 -203961.2557 2958.2331 0.0000 0.0000 52065.9881 -109643.8700 299.2239 -161709.8581 -109282.5693 299.1188 7.6837 29.4192 760425.3333 7.0016 7.0398 PRESSURE: 3239600 -6.80985 -98.395 103.111 -98.395 17.4958 -42.5747 103.111 -42.5752 141.853 GPRESSURE: 3239600 -62.5136 -112.445 127.421 -69.8806 26.3022 -21.9053 118.495 73.9359 256.676 PRESSAVG: 3239600 23.633 30.0706 20.9222 30.0705 29.5144 -28.2868 20.9221 -28.2869 26.0135 GPRESSAVG: 3239600 23.8329 31.6066 21.1497 30.1805 27.9478 -25.8587 22.1158 -27.0495 26.8294 TIMING: 3239600 CPU: 10123.1, 0.00312146/step Wall: 10123.1, 0.00312146/step, 1.52639 hours remaining, 236.171875 MB of memory in use. ENERGY: 3239600 4002.0411 20556.3206 14425.4964 238.3579 -203653.8406 2859.5490 0.0000 0.0000 52186.0903 -109385.9853 299.9142 -161572.0757 -109021.0060 298.9483 50.8462 73.4883 761717.4097 26.3870 26.2034 PRESSURE: 3239800 30.3912 -89.8088 -278 -89.8087 21.4474 105.88 -278 105.881 179.625 GPRESSURE: 3239800 33.1854 1.72972 -249.808 -124.734 50.273 70.2929 -168.361 146.25 231.103 PRESSAVG: 3239800 -53.0917 43.706 -12.2884 43.706 13.5002 56.2415 -12.2884 56.2414 -3.78851 GPRESSAVG: 3239800 -51.9396 44.2396 -12.1484 42.6986 14.0809 55.9847 -12.3818 54.4693 -5.47328 TIMING: 3239800 CPU: 10123.7, 0.00313134/step Wall: 10123.7, 0.00313134/step, 1.53105 hours remaining, 236.171875 MB of memory in use. ENERGY: 3239800 3978.1783 20463.6041 14476.0715 246.4443 -203348.6130 2752.7792 0.0000 0.0000 52110.6195 -109320.9161 299.4804 -161431.5356 -108965.0201 298.8500 77.1547 104.8539 762329.3946 -14.4600 -14.4440 PRESSURE: 3240000 386.089 88.0752 -162.295 88.0749 -56.8304 -57.7574 -162.295 -57.7583 84.5297 GPRESSURE: 3240000 356.645 141.212 -55.2201 45.1905 82.1732 -100.09 -73.9398 -151.126 56.5297 PRESSAVG: 3240000 -37.6404 -5.4583 18.345 -5.45834 47.0301 7.4874 18.345 7.4874 4.2135 GPRESSAVG: 3240000 -39.6727 -4.49207 17.6408 -4.03022 47.9487 5.40545 19.7387 9.22784 4.85101 TIMING: 3240000 CPU: 10124.4, 0.00313363/step Wall: 10124.4, 0.00313363/step, 1.532 hours remaining, 236.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3240000 3955.2385 20487.0818 14544.9778 242.2700 -203411.9407 2758.8026 0.0000 0.0000 52279.3778 -109144.1921 300.4503 -161423.5699 -108774.1176 299.1594 137.9295 165.1161 761837.6969 4.5344 4.3756 PRESSURE: 3240200 -410.553 -124.285 109.883 -124.284 -90.3341 59.463 109.883 59.463 -196.986 GPRESSURE: 3240200 -356.477 -111.31 73.2112 -145.321 -93.0819 28.4945 144.399 145.978 -164.964 PRESSAVG: 3240200 -23.1457 33.4801 30.6588 33.4801 10.3091 -24.782 30.6588 -24.7818 9.35535 GPRESSAVG: 3240200 -22.6721 31.4937 31.6876 34.5923 9.68417 -23.6801 30.1267 -25.284 9.05273 TIMING: 3240200 CPU: 10125, 0.00310899/step Wall: 10125, 0.00310899/step, 1.51978 hours remaining, 236.171875 MB of memory in use. ENERGY: 3240200 4015.3593 20271.2476 14503.6814 263.4546 -203200.5028 2592.3300 0.0000 0.0000 52231.4637 -109322.9663 300.1749 -161554.4299 -108959.9644 299.2006 -232.6244 -204.8409 763709.9725 -1.1604 -1.3117 LDB: ============= START OF LOAD BALANCING ============== 10137.5 LDB: ============== END OF LOAD BALANCING =============== 10137.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10137.5 LDB: ============= START OF LOAD BALANCING ============== 10137.8 LDB: Largest compute 7007 load 0.030896 is 15.8% of average load 0.195198 LDB: Average compute 0.004365 is 2.2% of average load 0.195198 LDB: TIME 10137.8 LOAD: AVG 0.195198 MAX 0.21615 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.512 MB LDB: TIME 10137.8 LOAD: AVG 0.195198 MAX 0.21615 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.512 MB LDB: TIME 10137.8 LOAD: AVG 0.195198 MAX 0.21615 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.512 MB LDB: ============== END OF LOAD BALANCING =============== 10137.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10137.8 PRESSURE: 3240400 120.966 -98.2947 6.39525 -98.2947 17.512 -162.902 6.39549 -162.902 -292.37 GPRESSURE: 3240400 79.2737 -40.0961 -18.1773 -74.6341 94.3317 -174.089 0.0568482 -203.662 -246.414 PRESSAVG: 3240400 42.173 15.3077 21.9038 15.3077 -13.244 -53.9192 21.9038 -53.9192 4.68249 GPRESSAVG: 3240400 41.1496 18.7121 20.3125 13.1343 -13.6742 -54.1347 18.8848 -54.2607 6.02421 TIMING: 3240400 CPU: 10125.6, 0.00317858/step Wall: 10125.6, 0.00317858/step, 1.55362 hours remaining, 235.207031 MB of memory in use. ENERGY: 3240400 4019.7969 20481.7189 14571.2693 262.6931 -203593.0382 3066.0291 0.0000 0.0000 51912.1150 -109279.4159 298.3396 -161191.5309 -108929.3620 299.0237 -51.2973 -24.2694 765166.9211 11.2038 11.1665 PRESSURE: 3240600 -136.629 -37.4784 88.8886 -37.4776 -240.61 -155.533 88.8895 -155.533 102.638 GPRESSURE: 3240600 -132.28 -70.5802 43.2792 -41.5441 -159.312 -135.596 105.872 -77.8288 89.1254 PRESSAVG: 3240600 -9.12621 -67.8284 13.496 -67.8284 -35.2693 35.2229 13.4959 35.2228 -14.3612 GPRESSAVG: 3240600 -8.05573 -70.2739 15.8994 -67.8809 -34.2312 36.4967 14.5529 33.9936 -16.0257 TIMING: 3240600 CPU: 10126.3, 0.00314338/step Wall: 10126.3, 0.00314338/step, 1.53624 hours remaining, 235.207031 MB of memory in use. ENERGY: 3240600 3948.4102 20652.7373 14543.9558 238.9682 -203216.3486 2771.7964 0.0000 0.0000 51791.9743 -109268.5063 297.6492 -161060.4806 -108906.5309 298.8366 -91.5339 -67.4889 764555.8894 -19.5856 -19.4375 PRESSURE: 3240800 -248.389 93.2364 -185.464 93.2376 -230.814 -184.339 -185.463 -184.34 -209.578 GPRESSURE: 3240800 -204.571 93.5681 -234.98 72.4021 -231.841 -174.279 -85.3423 -99.9457 -209.826 PRESSAVG: 3240800 0.766206 -33.4059 -28.9057 -33.4059 31.9127 -57.6907 -28.9056 -57.6907 1.91103 GPRESSAVG: 3240800 -0.624728 -33.6621 -29.874 -31.5796 31.8703 -59.0355 -29.7616 -56.0016 3.11892 TIMING: 3240800 CPU: 10126.9, 0.00314195/step Wall: 10126.9, 0.00314195/step, 1.53537 hours remaining, 235.207031 MB of memory in use. ENERGY: 3240800 4040.2745 20852.8580 14447.6843 228.8002 -202784.6288 2250.4975 0.0000 0.0000 51911.0195 -109053.4947 298.3333 -160964.5143 -108693.0919 298.9695 -229.5938 -215.4127 764874.6699 11.5300 11.4548 PRESSURE: 3241000 64.1687 -84.2364 -165.444 -84.2366 -114.523 -32.5929 -165.444 -32.5927 -384.783 GPRESSURE: 3241000 10.9047 -94.8303 -155.613 -97.4503 -118.827 -100.182 -174.46 -68.5556 -260.291 PRESSAVG: 3241000 31.9025 2.82579 -42.9604 2.82579 -15.6186 -19.7014 -42.9605 -19.7014 -4.87582 GPRESSAVG: 3241000 33.1872 3.14463 -43.004 -0.373268 -16.3175 -18.9194 -43.4869 -20.9277 -5.09883 TIMING: 3241000 CPU: 10127.5, 0.0031166/step Wall: 10127.5, 0.0031166/step, 1.52281 hours remaining, 235.207031 MB of memory in use. ENERGY: 3241000 4053.0645 20529.5717 14511.6178 245.4323 -203080.2805 2542.0378 0.0000 0.0000 52344.2929 -108854.2636 300.8234 -161198.5564 -108492.2142 300.0028 -145.0458 -122.7378 763585.1513 3.8027 3.9236 PRESSURE: 3241200 -316.581 190.887 32.3422 190.889 -373.452 99.6501 32.343 99.6493 -81.8698 GPRESSURE: 3241200 -264.084 193.787 46.9492 154.095 -304.223 248.944 -73.9285 123.336 -107.891 PRESSAVG: 3241200 -11.8278 8.18844 -53.9244 8.1884 -32.2433 43.0749 -53.9242 43.0749 7.79874 GPRESSAVG: 3241200 -11.327 8.45285 -53.2009 8.71982 -32.0377 44.0181 -52.666 44.0985 7.30183 TIMING: 3241200 CPU: 10128.1, 0.00310426/step Wall: 10128.1, 0.00310426/step, 1.5166 hours remaining, 235.207031 MB of memory in use. ENERGY: 3241200 3918.8533 20603.5777 14527.7458 230.8422 -202983.2409 2434.3384 0.0000 0.0000 52359.1449 -108908.7387 300.9087 -161267.8836 -108542.8250 300.2031 -257.3012 -225.3994 763053.4100 -12.0908 -12.0210 PRESSURE: 3241400 72.9084 -21.9802 277.02 -21.9801 380.783 86.6718 277.02 86.6714 316.363 GPRESSURE: 3241400 133.792 38.6029 196.365 -22.5644 397.127 137.236 254.218 49.5664 343.901 PRESSAVG: 3241400 0.544279 4.70512 -56.5655 4.7051 -11.0271 27.7177 -56.5655 27.7177 -28.4671 GPRESSAVG: 3241400 -0.875763 5.86931 -58.0263 5.11667 -11.139 29.1031 -56.8331 26.1779 -27.3505 TIMING: 3241400 CPU: 10128.8, 0.0031107/step Wall: 10128.8, 0.0031107/step, 1.51958 hours remaining, 235.207031 MB of memory in use. ENERGY: 3241400 4028.4297 20617.9297 14453.8250 243.2476 -203419.5479 2957.7435 0.0000 0.0000 51997.6553 -109120.7170 298.8312 -161118.3724 -108765.7579 299.6273 256.6848 291.6066 760793.1908 -12.9833 -13.1218 PRESSURE: 3241600 -748.303 2.94828 -83.6841 2.94784 -332.922 -89.5506 -83.6846 -89.551 -287.998 GPRESSURE: 3241600 -690.568 18.4585 -143.83 110.021 -346.362 1.61949 43.9833 -163.488 -253.783 PRESSAVG: 3241600 -5.79718 -54.2319 15.9215 -54.2319 7.83178 -67.2964 15.9215 -67.2964 -2.54055 GPRESSAVG: 3241600 -4.55788 -57.3849 17.1308 -51.7925 7.70417 -66.7762 15.6728 -67.7854 -3.59101 TIMING: 3241600 CPU: 10129.4, 0.00311478/step Wall: 10129.4, 0.00311478/step, 1.5214 hours remaining, 235.207031 MB of memory in use. ENERGY: 3241600 3980.5195 20576.9014 14590.7834 248.1307 -202887.0653 2149.7149 0.0000 0.0000 52417.6588 -108923.3565 301.2450 -161341.0152 -108556.1806 300.2764 -456.4074 -430.2377 761749.7273 -0.1686 -0.1482 PRESSURE: 3241800 -176.973 170.366 158.181 170.366 -191.458 -16.0128 158.182 -16.0147 177.789 GPRESSURE: 3241800 -103.439 175.072 223.193 33.3967 -119.291 -19.5349 151.809 69.264 111.542 PRESSAVG: 3241800 -13.6664 9.88965 31.5805 9.88966 10.8564 3.6954 31.5804 3.69545 3.94478 GPRESSAVG: 3241800 -14.8833 11.9553 31.6605 9.12949 11.3583 1.64445 31.0389 7.51313 4.7136 TIMING: 3241800 CPU: 10130, 0.00312306/step Wall: 10130, 0.00312306/step, 1.52527 hours remaining, 235.207031 MB of memory in use. ENERGY: 3241800 3999.4661 20608.3101 14477.2928 232.5125 -202954.2718 2547.9892 0.0000 0.0000 52142.1404 -108946.5608 299.6616 -161088.7012 -108585.9519 300.2030 -63.5475 -37.0625 762506.0438 0.3782 0.3962 PRESSURE: 3242000 21.4611 -118.104 -276.196 -118.104 -244.84 18.278 -276.196 18.2778 -437.533 GPRESSURE: 3242000 79.3316 -4.66724 -259.036 -32.7732 -262.853 -45.426 -183.651 58.0811 -386.227 PRESSAVG: 3242000 -27.3152 39.2845 -12.3406 39.2845 -0.98978 9.93055 -12.3405 9.93059 16.0247 GPRESSAVG: 3242000 -25.9948 41.1355 -11.0431 38.3348 -2.15314 9.74314 -12.4799 7.95914 15.6434 TIMING: 3242000 CPU: 10130.6, 0.00310797/step Wall: 10130.6, 0.00310797/step, 1.51773 hours remaining, 235.207031 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: 3242000 3957.5922 20674.6800 14515.8790 256.9670 -202947.6263 2445.1310 0.0000 0.0000 52260.6854 -108836.6917 300.3429 -161097.3771 -108476.4930 300.3295 -220.3039 -189.9163 763624.9939 -4.0934 -4.1682 PRESSURE: 3242200 -67.4777 49.7627 -108.594 49.7624 43.8645 -118.938 -108.594 -118.938 -179.396 GPRESSURE: 3242200 -62.0633 -44.5105 -189.468 30.7366 90.6922 -120.422 -20.5996 -28.2861 -140.403 PRESSAVG: 3242200 2.92629 -32.5195 -91.15 -32.5196 -8.73199 -12.7077 -91.15 -12.7077 14.1504 GPRESSAVG: 3242200 2.43319 -37.779 -92.7814 -31.4761 -7.40081 -14.2303 -89.8204 -10.0501 13.3931 TIMING: 3242200 CPU: 10131.2, 0.00311004/step Wall: 10131.2, 0.00311004/step, 1.51856 hours remaining, 235.207031 MB of memory in use. ENERGY: 3242200 4092.8378 20702.2646 14526.5433 262.0037 -203296.4633 2744.6362 0.0000 0.0000 52344.3944 -108623.7832 300.8240 -160968.1776 -108255.0554 300.6340 -67.6697 -37.2579 762831.7218 2.7816 2.8085 PRESSURE: 3242400 -77.5402 74.595 124.981 74.595 -103.15 64.482 124.98 64.4821 -427.996 GPRESSURE: 3242400 -97.3657 96.5674 144.446 -17.9248 -74.171 1.78745 71.5912 99.3502 -368.804 PRESSAVG: 3242400 -56.8441 -17.3136 -26.1672 -17.3136 50.5842 -47.8668 -26.1672 -47.8668 12.0776 GPRESSAVG: 3242400 -57.6883 -15.5516 -26.4886 -17.7328 51.0068 -45.6565 -26.2171 -47.8687 12.0982 TIMING: 3242400 CPU: 10131.9, 0.00312906/step Wall: 10131.9, 0.00312906/step, 1.52768 hours remaining, 235.207031 MB of memory in use. ENERGY: 3242400 4120.8231 20584.3184 14555.8892 239.1914 -202876.3322 2433.0678 0.0000 0.0000 52317.4108 -108625.6315 300.6689 -160943.0424 -108275.3381 301.0018 -202.8952 -180.1136 763857.5432 1.9392 1.8056 PRESSURE: 3242600 -423.636 -202.192 72.4147 -202.192 31.929 -184.436 72.4144 -184.435 121.372 GPRESSURE: 3242600 -312.82 -211.757 16.2349 -179.318 10.8737 -202.023 35.5661 -35.5745 108.211 PRESSAVG: 3242600 -50.693 18.6813 -10.3931 18.6812 70.261 21.5408 -10.3931 21.5407 -3.17113 GPRESSAVG: 3242600 -50.8647 19.2823 -8.44705 20.2934 68.1398 22.199 -11.166 19.9951 -1.3002 TIMING: 3242600 CPU: 10132.5, 0.00310197/step Wall: 10132.5, 0.00310197/step, 1.51428 hours remaining, 235.207031 MB of memory in use. ENERGY: 3242600 4042.5739 20500.6420 14545.9684 251.8250 -202910.1236 2356.5036 0.0000 0.0000 52477.8489 -108734.7618 301.5909 -161212.6107 -108357.0366 300.6400 -90.1115 -64.5784 763156.3987 5.4656 5.3250 PRESSURE: 3242800 -138.886 12.5414 -87.7727 12.5418 164.497 5.00493 -87.7725 5.00463 -432.344 GPRESSURE: 3242800 -83.9913 -19.3081 -126.654 59.1081 125.291 38.0519 -69.2453 63.8575 -371.452 PRESSAVG: 3242800 -66.252 49.3853 -32.1334 49.3853 61.7089 -60.1484 -32.1334 -60.1484 2.92675 GPRESSAVG: 3242800 -65.769 48.1931 -33.795 49.0148 61.6911 -61.4404 -33.1401 -59.9695 2.05706 TIMING: 3242800 CPU: 10133.1, 0.00310415/step Wall: 10133.1, 0.00310415/step, 1.51517 hours remaining, 235.207031 MB of memory in use. ENERGY: 3242800 4083.3521 20660.2014 14530.3824 252.3178 -203313.8048 2825.9364 0.0000 0.0000 52121.6402 -108839.9745 299.5438 -160961.6147 -108488.6410 300.3371 -135.5778 -110.0509 762375.9150 -0.5388 -0.6736 PRESSURE: 3243000 81.7145 -107.097 71.34 -107.097 -163.707 -8.45245 71.3404 -8.45256 -517.272 GPRESSURE: 3243000 90.7178 -8.38145 105.805 -1.49877 -133.548 -55.6666 179.372 -58.9434 -487.515 PRESSAVG: 3243000 -77.4375 -12.1714 -38.6358 -12.1714 16.5354 -31.6312 -38.6358 -31.6312 -17.5466 GPRESSAVG: 3243000 -77.8666 -11.892 -37.5149 -11.7085 17.1022 -30.0814 -36.5811 -34.3464 -17.6919 TIMING: 3243000 CPU: 10133.7, 0.00311442/step Wall: 10133.7, 0.00311442/step, 1.52001 hours remaining, 235.207031 MB of memory in use. ENERGY: 3243000 4008.1789 20467.8496 14479.7795 263.0390 -202936.5691 2428.8633 0.0000 0.0000 52133.1474 -109155.7115 299.6099 -161288.8589 -108782.8100 299.6280 -199.7547 -176.7818 762211.7793 -26.1496 -26.1521 PRESSURE: 3243200 -21.3272 221.373 -124 221.374 -79.5194 -122.727 -124 -122.727 386.699 GPRESSURE: 3243200 119.753 219.17 -143.983 182.419 -34.9563 -110.381 -49.0601 8.74473 286.547 PRESSAVG: 3243200 -13.7152 -2.86354 -32.881 -2.86354 41.6238 -27.6048 -32.8811 -27.6048 14.9765 GPRESSAVG: 3243200 -14.0213 -0.677792 -34.3521 -4.78162 41.566 -28.4137 -33.0016 -26.9764 14.759 TIMING: 3243200 CPU: 10134.4, 0.0031199/step Wall: 10134.4, 0.0031199/step, 1.52251 hours remaining, 235.207031 MB of memory in use. ENERGY: 3243200 3976.4189 20356.5115 14534.7160 249.9259 -203138.5398 2766.3609 0.0000 0.0000 52089.3449 -109165.2617 299.3582 -161254.6066 -108796.7221 299.3531 95.2840 123.7811 761100.5349 14.2950 14.1013 PRESSURE: 3243400 177.267 32.4869 318.413 32.4868 21.2925 -26.528 318.413 -26.5286 -410.279 GPRESSURE: 3243400 87.8363 85.5601 283.115 -66.8614 95.0412 15.4364 315.827 -68.9416 -317.887 PRESSAVG: 3243400 -30.7224 -18.2072 -23.5416 -18.2072 26.8172 -6.31164 -23.5416 -6.31173 -5.22654 GPRESSAVG: 3243400 -29.5656 -19.4661 -23.8283 -18.3344 25.8753 -6.38945 -22.8617 -4.01025 -5.1337 TIMING: 3243400 CPU: 10135, 0.00311503/step Wall: 10135, 0.00311503/step, 1.51996 hours remaining, 235.207031 MB of memory in use. ENERGY: 3243400 3979.2692 20499.2938 14526.8548 245.9087 -203134.9174 2506.1519 0.0000 0.0000 52011.3969 -109366.0420 298.9102 -161377.4389 -109011.1362 299.8563 -70.5731 -45.0031 762507.0532 -3.0439 -2.9413 PRESSURE: 3243600 247.214 -26.8065 -229.101 -26.8066 -264.137 15.7127 -229.104 15.7133 108.209 GPRESSURE: 3243600 206.461 -92.9013 -248.573 73.9593 -199.573 -15.0009 -177.347 36.6163 180.498 PRESSAVG: 3243600 30.9821 -39.1083 -17.1134 -39.1082 -38.7438 -5.77169 -17.1135 -5.77162 16.0387 GPRESSAVG: 3243600 29.7211 -38.2036 -17.1918 -38.7745 -38.6836 -6.32406 -18.1981 -4.44349 16.9343 TIMING: 3243600 CPU: 10135.6, 0.00312039/step Wall: 10135.6, 0.00312039/step, 1.5224 hours remaining, 235.207031 MB of memory in use. ENERGY: 3243600 4003.6890 20444.4896 14519.5183 238.5877 -203086.1947 2648.5867 0.0000 0.0000 51925.2617 -109306.0616 298.4152 -161231.3233 -108951.3656 299.0521 30.4288 62.4619 760811.8129 2.7590 2.6573 PRESSURE: 3243800 -73.7892 34.5458 402.111 34.5467 -244.159 49.7906 402.112 49.7896 56.8485 GPRESSURE: 3243800 -57.1021 48.8443 405.456 -65.5036 -166.899 161.749 484.72 37.5543 42.6186 PRESSAVG: 3243800 73.4483 22.399 10.693 22.3989 -31.2999 5.56055 10.693 5.56057 7.166 GPRESSAVG: 3243800 73.6302 21.4183 11.88 23.0473 -30.0735 7.06471 9.89604 2.65287 5.63421 TIMING: 3243800 CPU: 10136.2, 0.00312736/step Wall: 10136.2, 0.00312736/step, 1.52563 hours remaining, 235.207031 MB of memory in use. ENERGY: 3243800 3915.2136 20163.3999 14490.3205 248.9984 -203212.2944 2800.7346 0.0000 0.0000 52072.3107 -109521.3168 299.2603 -161593.6274 -109157.1222 299.0429 -87.0332 -60.4609 762287.3821 16.4382 16.3970 PRESSURE: 3244000 517.562 -14.5244 -274.179 -14.5245 -131.412 -36.9815 -274.179 -36.9829 406.769 GPRESSURE: 3244000 506.126 -49.7349 -269.256 70.6317 -73.4727 -102.062 -144.793 75.6167 451.505 PRESSAVG: 3244000 0.815632 17.3037 -56.7138 17.3036 4.28827 11.2028 -56.7139 11.2028 44.6758 GPRESSAVG: 3244000 0.698756 16.7094 -57.5328 18.7168 3.60361 9.77671 -53.9493 14.1197 45.9551 TIMING: 3244000 CPU: 10136.9, 0.00313229/step Wall: 10136.9, 0.00313229/step, 1.52786 hours remaining, 235.207031 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: 3244000 3951.9386 20342.3604 14489.9705 257.2313 -203866.7187 3043.4905 0.0000 0.0000 52046.2012 -109735.5261 299.1102 -161781.7273 -109365.8668 298.4057 264.3063 294.7196 761163.5532 16.5932 16.7525 PRESSURE: 3244200 -30.5839 170.185 -28.112 170.185 -229.488 -97.8092 -28.1119 -97.8098 -82.9312 GPRESSURE: 3244200 4.82935 134.217 -8.91587 51.0552 -275.635 -39.9333 -56.9353 -249.864 6.32932 PRESSAVG: 3244200 -19.9545 17.5222 -20.6471 17.5222 20.6466 -2.96505 -20.6471 -2.96499 -26.5076 GPRESSAVG: 3244200 -19.2982 18.6396 -21.3528 14.1022 19.5053 -0.558424 -22.2714 -6.60696 -26.1984 TIMING: 3244200 CPU: 10137.5, 0.00312998/step Wall: 10137.5, 0.00312998/step, 1.52656 hours remaining, 235.207031 MB of memory in use. ENERGY: 3244200 3937.8535 20672.7180 14600.6250 253.2784 -202701.2197 2190.5174 0.0000 0.0000 51562.7843 -109483.4432 296.3320 -161046.2275 -109135.9311 298.2365 -114.3343 -88.1588 763030.7462 -8.6052 -8.6638 LDB: ============= START OF LOAD BALANCING ============== 10150 LDB: ============== END OF LOAD BALANCING =============== 10150 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10150 LDB: ============= START OF LOAD BALANCING ============== 10150.3 LDB: Largest compute 7007 load 0.031934 is 16.4% of average load 0.195194 LDB: Average compute 0.004399 is 2.3% of average load 0.195194 LDB: TIME 10150.3 LOAD: AVG 0.195194 MAX 0.215912 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.375 MB LDB: TIME 10150.3 LOAD: AVG 0.195194 MAX 0.215912 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.473 MB LDB: TIME 10150.3 LOAD: AVG 0.195194 MAX 0.215912 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.473 MB LDB: ============== END OF LOAD BALANCING =============== 10150.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10150.3 PRESSURE: 3244400 66.2384 46.1885 -95.1631 46.1888 293.923 110.199 -95.1628 110.199 -295.467 GPRESSURE: 3244400 139.849 -8.75954 -79.4971 33.7936 226.924 59.3149 -162.086 154.131 -206.229 PRESSAVG: 3244400 1.91151 -7.32517 -20.7703 -7.32519 36.205 -23.2035 -20.7703 -23.2035 24.4906 GPRESSAVG: 3244400 1.56341 -6.56949 -19.5529 -5.87087 36.3901 -23.8543 -20.6918 -21.8246 23.9841 TIMING: 3244400 CPU: 10138.1, 0.00322176/step Wall: 10138.1, 0.00322176/step, 1.57115 hours remaining, 235.023438 MB of memory in use. ENERGY: 3244400 3968.3629 20475.8690 14427.2229 254.9114 -203383.6443 2804.6203 0.0000 0.0000 51791.0204 -109661.6373 297.6437 -161452.6577 -109305.7624 298.2331 21.5651 53.5145 761120.2476 20.8691 20.6459 PRESSURE: 3244600 156.301 -104.758 51.6751 -104.759 57.0756 -304.977 51.6759 -304.977 253.088 GPRESSURE: 3244600 165.228 -37.9106 60.1313 -66.9444 93.4991 -256.739 58.9418 -268.634 303.153 PRESSAVG: 3244600 -0.628006 -65.2849 6.8968 -65.2849 61.1498 -26.0639 6.89685 -26.0639 -1.0964 GPRESSAVG: 3244600 -1.2942 -66.5565 6.89754 -65.1171 61.6581 -27.0269 6.98626 -25.3402 -0.634616 TIMING: 3244600 CPU: 10138.8, 0.00313281/step Wall: 10138.8, 0.00313281/step, 1.52759 hours remaining, 235.222656 MB of memory in use. ENERGY: 3244600 3963.3306 20377.2966 14530.5692 235.5067 -203052.0429 2409.9359 0.0000 0.0000 51790.4783 -109744.9255 297.6406 -161535.4038 -109397.2787 298.4794 155.4883 187.2935 760385.1459 19.8085 19.9098 PRESSURE: 3244800 -1.22101 130.915 224.919 130.916 201.655 -76.0753 224.919 -76.0756 -211.201 GPRESSURE: 3244800 -13.3929 109.498 293.614 136.459 217.654 -37.2518 255.13 5.25402 -146.141 PRESSAVG: 3244800 2.53325 -38.2014 -31.2633 -38.2014 56.7716 -7.09529 -31.2633 -7.09541 -33.7755 GPRESSAVG: 3244800 2.95778 -37.8321 -31.087 -35.9048 56.5804 -4.88747 -30.738 -9.53053 -34.1247 TIMING: 3244800 CPU: 10139.4, 0.00313075/step Wall: 10139.4, 0.00313075/step, 1.52642 hours remaining, 235.222656 MB of memory in use. ENERGY: 3244800 4058.6641 20398.4382 14540.0175 256.2466 -203408.5871 2745.8803 0.0000 0.0000 51739.7976 -109669.5427 297.3493 -161409.3403 -109307.2191 298.5978 -3.5890 19.3733 760921.5948 8.5098 8.4712 PRESSURE: 3245000 199.437 -126.853 -32.2969 -126.852 171.636 60.4369 -32.2964 60.4384 289.875 GPRESSURE: 3245000 255.741 -78.4809 -32.264 -148.25 162.616 -16.7194 -160.058 93.7331 321.745 PRESSAVG: 3245000 74.0824 -19.4281 -33.8258 -19.4281 -55.1544 -9.99685 -33.8257 -9.99684 14.4122 GPRESSAVG: 3245000 74.686 -21.1578 -33.8724 -19.5097 -55.0284 -12.0995 -35.7522 -9.98847 13.7574 TIMING: 3245000 CPU: 10140, 0.0031012/step Wall: 10140, 0.0031012/step, 1.51184 hours remaining, 235.222656 MB of memory in use. ENERGY: 3245000 3948.9639 20458.0949 14479.4285 228.8737 -202901.1304 2489.6346 0.0000 0.0000 52157.1066 -109139.0283 299.7476 -161296.1349 -108786.3636 299.3048 220.3161 246.7005 762701.2966 11.1134 11.1383 PRESSURE: 3245200 352.717 24.4408 -11.5209 24.4403 369.939 -8.93167 -11.5214 -8.9311 269.005 GPRESSURE: 3245200 324.213 43.3215 71.0474 -21.2354 347.634 -30.9546 74.1963 16.3668 419.845 PRESSAVG: 3245200 -21.2034 19.0002 43.183 19.0001 56.2083 28.0576 43.183 28.0575 12.0389 GPRESSAVG: 3245200 -21.2068 19.7966 43.6913 17.1443 55.0733 28.8308 43.9184 29.8237 12.6755 TIMING: 3245200 CPU: 10140.6, 0.00311713/step Wall: 10140.6, 0.00311713/step, 1.51943 hours remaining, 235.222656 MB of memory in use. ENERGY: 3245200 4029.4292 20458.1562 14539.0688 254.6659 -203457.7183 2856.1825 0.0000 0.0000 52093.4238 -109226.7919 299.3816 -161320.2157 -108874.0379 299.2062 330.5539 363.8975 761452.1887 15.6813 15.5140 PRESSURE: 3245400 -124.248 99.0274 59.2454 99.0267 -129.537 -86.2543 59.2455 -86.2546 41.925 GPRESSURE: 3245400 -124.198 180.83 -65.4172 168.512 -6.0036 25.3331 -3.85993 -24.1923 15.4466 PRESSAVG: 3245400 -40.9306 -7.98303 31.6551 -7.98292 44.8963 0.226328 31.6551 0.226289 15.9638 GPRESSAVG: 3245400 -41.9679 -7.02196 30.2231 -8.1558 46.2506 -0.711948 30.7865 0.828909 15.982 TIMING: 3245400 CPU: 10141.3, 0.00311502/step Wall: 10141.3, 0.00311502/step, 1.51823 hours remaining, 235.222656 MB of memory in use. ENERGY: 3245400 3988.8544 20447.1567 14477.6525 257.4050 -202924.3376 2517.4664 0.0000 0.0000 51750.6101 -109485.1925 297.4115 -161235.8026 -109133.8094 299.1255 -70.6202 -38.2516 761852.0169 6.6432 6.7549 PRESSURE: 3245600 -226.618 252.957 1.73249 252.956 -97.288 -93.0883 1.73245 -93.0886 174.485 GPRESSURE: 3245600 -139.451 212.936 26.2909 267.61 -101.651 -47.5754 106.928 -102.466 183.406 PRESSAVG: 3245600 -56.0761 18.0208 -6.81761 18.0208 56.9051 7.8857 -6.81762 7.88569 5.69525 GPRESSAVG: 3245600 -55.0518 16.7587 -4.8961 18.6134 56.8572 6.65528 -4.81282 7.81736 4.7902 TIMING: 3245600 CPU: 10141.9, 0.00313706/step Wall: 10141.9, 0.00313706/step, 1.5288 hours remaining, 235.222656 MB of memory in use. ENERGY: 3245600 4020.2446 20310.1153 14436.3198 250.1031 -203363.5367 2618.7574 0.0000 0.0000 52333.1129 -109394.8837 300.7591 -161727.9966 -109026.4666 298.8820 -49.8069 -19.2320 763228.3599 2.1748 2.1985 PRESSURE: 3245800 -12.2624 200.917 369.264 200.916 -23.6698 -191.444 369.264 -191.446 -247.461 GPRESSURE: 3245800 15.4116 101.039 204.19 270.513 -13.2115 -250.167 229.038 40.3588 -205.152 PRESSAVG: 3245800 -34.8587 17.1119 -22.7088 17.1118 -10.5829 -39.2595 -22.7088 -39.2595 20.6559 GPRESSAVG: 3245800 -35.1872 13.8122 -24.7391 19.0546 -10.5766 -36.9607 -20.3694 -40.2245 21.1827 TIMING: 3245800 CPU: 10142.5, 0.00313452/step Wall: 10142.5, 0.00313451/step, 1.52738 hours remaining, 235.222656 MB of memory in use. ENERGY: 3245800 3957.2260 20544.9080 14500.4174 233.6295 -203221.0277 2631.7017 0.0000 0.0000 51885.8960 -109467.2490 298.1890 -161353.1451 -109103.6075 298.6921 -94.4644 -67.6507 763588.1355 -8.2619 -8.1937 PRESSURE: 3246000 46.024 -13.6238 180.324 -13.6244 158.675 127.918 180.325 127.919 394.486 GPRESSURE: 3246000 118.908 -71.3072 240.58 -35.0567 170.692 194.063 -17.759 181.734 381.306 PRESSAVG: 3246000 13.5432 17.7425 14.5439 17.7425 4.80601 -10.1928 14.544 -10.1927 -33.1331 GPRESSAVG: 3246000 14.0695 21.73 15.0111 14.9997 4.28942 -11.6471 11.0509 -9.83371 -33.1966 TIMING: 3246000 CPU: 10143.1, 0.00311014/step Wall: 10143.1, 0.00311014/step, 1.51533 hours remaining, 235.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3246000 3964.0145 20540.4555 14511.4641 252.0044 -203539.5406 2900.2159 0.0000 0.0000 51946.2608 -109425.1255 298.5359 -161371.3863 -109056.2933 298.2500 199.7282 223.6355 762656.7716 -4.9280 -4.9459 PRESSURE: 3246200 122.525 -258.688 -60.8563 -258.688 98.6232 8.69574 -60.8558 8.69501 28.0138 GPRESSURE: 3246200 89.0165 -114.262 -85.6867 -205.453 171.474 -3.62196 -55.5714 -23.2742 89.4801 PRESSAVG: 3246200 -5.2792 22.8645 0.195679 22.8645 58.9924 -24.7643 0.195646 -24.7643 -34.4576 GPRESSAVG: 3246200 -7.0475 21.0369 -0.886795 23.9128 58.9812 -24.3776 0.838571 -23.1002 -33.0162 TIMING: 3246200 CPU: 10143.8, 0.00311935/step Wall: 10143.8, 0.00311935/step, 1.51964 hours remaining, 235.222656 MB of memory in use. ENERGY: 3246200 3910.0387 20595.6275 14527.7256 253.9577 -203849.9893 2917.6434 0.0000 0.0000 52121.6721 -109523.3244 299.5440 -161644.9964 -109156.9814 299.1520 83.0539 116.6569 761909.9175 6.4185 6.3058 PRESSURE: 3246400 20.0927 16.9876 -91.087 16.9872 -143.728 213.883 -91.0869 213.884 -264.461 GPRESSURE: 3246400 26.9319 49.4213 -105.45 159.16 -151.371 224.118 19.6812 151.277 -158.649 PRESSAVG: 3246400 -3.33113 25.8848 -72.6116 25.8848 12.3472 -4.97714 -72.6115 -4.9771 -14.7216 GPRESSAVG: 3246400 -2.60502 26.1976 -72.343 26.3482 12.0569 -4.22764 -71.842 -4.9745 -14.9995 TIMING: 3246400 CPU: 10144.4, 0.00311716/step Wall: 10144.4, 0.00311716/step, 1.5184 hours remaining, 235.222656 MB of memory in use. ENERGY: 3246400 3996.6995 20254.8272 14570.7398 255.5973 -203407.6221 2823.5863 0.0000 0.0000 52064.1350 -109442.0371 299.2133 -161506.1721 -109068.2655 299.1716 -129.3653 -94.3625 762573.0248 -1.9019 -1.8492 PRESSURE: 3246600 -43.4866 90.3896 132.877 90.3893 -23.7416 -116.057 132.877 -116.056 90.8482 GPRESSURE: 3246600 83.52 81.4532 148.056 35.1663 15.046 -91.0714 109.511 -70.9619 11.6652 PRESSAVG: 3246600 -23.9845 86.2552 -11.0071 86.2551 61.2006 4.17697 -11.0072 4.17693 -10.4754 GPRESSAVG: 3246600 -23.7086 86.1319 -8.80906 84.8133 61.481 4.5603 -12.4405 1.90839 -10.975 TIMING: 3246600 CPU: 10145, 0.00311482/step Wall: 10145, 0.00311482/step, 1.51709 hours remaining, 235.222656 MB of memory in use. ENERGY: 3246600 4008.2882 20424.5605 14465.8350 256.5089 -202818.1215 2419.5802 0.0000 0.0000 51908.5050 -109334.8440 298.3189 -161243.3489 -108988.3321 299.3989 7.8733 36.7438 762490.8127 8.9136 8.9325 PRESSURE: 3246800 -52.7252 98.6586 213.491 98.6575 -150.029 79.5496 213.491 79.5494 -186.624 GPRESSURE: 3246800 -32.6115 124.351 217.124 -52.24 -140.359 53.0031 72.9596 73.9714 -125.438 PRESSAVG: 3246800 -18.5741 1.044 13.4174 1.04395 -5.14295 -3.10153 13.4174 -3.10152 -14.5574 GPRESSAVG: 3246800 -18.6538 2.87482 12.8531 1.0516 -5.33685 -5.37824 11.397 -3.1103 -14.6521 TIMING: 3246800 CPU: 10145.6, 0.00311501/step Wall: 10145.6, 0.00311501/step, 1.51701 hours remaining, 235.222656 MB of memory in use. ENERGY: 3246800 4011.9742 20630.3130 14522.4139 246.1931 -203175.5455 2644.6906 0.0000 0.0000 51821.2946 -109298.6661 297.8177 -161119.9607 -108938.7933 299.2473 -129.7927 -99.4693 762850.1500 -12.7581 -12.8809 PRESSURE: 3247000 176.875 38.7945 -132.828 38.7937 444.149 -20.8804 -132.828 -20.8789 395.109 GPRESSURE: 3247000 183.905 71.3549 -228.799 19.3819 479.453 37.968 -96.4597 -35.3339 425.037 PRESSAVG: 3247000 -16.7107 33.7702 13.2187 33.7703 35.2561 -13.8802 13.2187 -13.8801 9.23316 GPRESSAVG: 3247000 -16.2082 32.0129 11.8757 35.3053 34.6887 -12.0062 15.2568 -13.356 9.48352 TIMING: 3247000 CPU: 10146.2, 0.00311012/step Wall: 10146.2, 0.00311012/step, 1.51446 hours remaining, 235.222656 MB of memory in use. ENERGY: 3247000 3902.9104 20636.1775 14474.8851 254.5900 -203569.6988 2800.3029 0.0000 0.0000 52363.5107 -109137.3222 300.9338 -161500.8329 -108778.6365 299.5075 338.7114 362.7984 760134.0864 9.2595 9.3213 PRESSURE: 3247200 497.185 124.772 140.314 124.772 377.134 44.7002 140.314 44.7005 -119.898 GPRESSURE: 3247200 528.513 150.571 109.939 188.577 385.048 -50.7761 80.5517 89.7125 -95.0098 PRESSAVG: 3247200 30.8842 40.6655 -73.0852 40.6656 -24.4761 -12.2448 -73.0852 -12.2447 -4.06544 GPRESSAVG: 3247200 31.3217 39.2518 -71.8375 42.3468 -24.3051 -13.4736 -72.804 -12.0595 -4.46601 TIMING: 3247200 CPU: 10146.9, 0.00310419/step Wall: 10146.9, 0.00310419/step, 1.5114 hours remaining, 235.222656 MB of memory in use. ENERGY: 3247200 3875.6969 20781.6309 14496.6878 270.2257 -203553.7319 2892.8219 0.0000 0.0000 52240.1867 -108996.4820 300.2251 -161236.6687 -108647.1078 299.8533 251.4737 272.8504 759502.1272 0.7809 0.8502 PRESSURE: 3247400 -248.059 -50.4998 256.452 -50.5003 -156.375 97.6209 256.453 97.6202 -233.975 GPRESSURE: 3247400 -191.155 145.53 176.944 -148.93 -173.37 47.5848 88.7999 112.319 -181.638 PRESSAVG: 3247400 -4.20754 -0.948184 -19.8887 -0.948191 -4.19117 -31.7204 -19.8887 -31.7205 6.98459 GPRESSAVG: 3247400 -5.20365 1.51475 -21.809 -1.33736 -4.27562 -31.1372 -20.5463 -32.1308 8.07186 TIMING: 3247400 CPU: 10147.5, 0.00312318/step Wall: 10147.5, 0.00312318/step, 1.52047 hours remaining, 235.222656 MB of memory in use. ENERGY: 3247400 4049.1285 20342.1556 14449.7683 225.0912 -202772.3082 2517.4694 0.0000 0.0000 51932.8279 -109255.8673 298.4587 -161188.6953 -108888.0159 299.7736 -212.8030 -182.0543 761442.6210 -0.4714 -0.4691 PRESSURE: 3247600 -103.786 75.498 -167.805 75.4969 275.378 -79.7722 -167.805 -79.7717 -583.641 GPRESSURE: 3247600 -126.556 195.555 -157.41 50.9344 387.281 -51.94 -176.591 -69.029 -589.692 PRESSAVG: 3247600 -17.2023 -29.2473 27.447 -29.2473 7.41427 -26.2311 27.447 -26.2312 27.0999 GPRESSAVG: 3247600 -16.0074 -28.4888 29.7184 -30.4734 7.68226 -25.4989 28.9878 -26.797 25.509 TIMING: 3247600 CPU: 10148.1, 0.0031118/step Wall: 10148.1, 0.0031118/step, 1.51475 hours remaining, 235.222656 MB of memory in use. ENERGY: 3247600 3981.2335 20483.6007 14440.1101 242.4086 -203218.0655 2736.6566 0.0000 0.0000 52195.4263 -109138.6298 299.9678 -161334.0561 -108773.0170 299.2772 -137.3498 -109.6557 763093.8524 5.7706 5.7280 PRESSURE: 3247800 160.179 -206.442 -80.3337 -206.443 -245.275 17.0545 -80.3344 17.0541 79.6573 GPRESSURE: 3247800 180.34 -230.288 -40.5572 -124.523 -166.965 4.16418 -103.909 61.7015 63.0031 PRESSAVG: 3247800 -37.2834 14.5341 8.72753 14.5341 35.7171 -73.9146 8.7276 -73.9147 -5.16849 GPRESSAVG: 3247800 -38.6617 12.8301 7.43753 16.0915 36.7692 -75.0043 8.95593 -74.091 -4.39562 TIMING: 3247800 CPU: 10148.7, 0.00312595/step Wall: 10148.7, 0.00312595/step, 1.52147 hours remaining, 235.222656 MB of memory in use. ENERGY: 3247800 3958.0157 20601.0469 14477.9904 256.6538 -203291.7579 2708.9659 0.0000 0.0000 52281.0621 -109008.0231 300.4600 -161289.0852 -108638.3864 299.4639 -1.8127 25.4594 762967.0617 -2.2449 -2.0960 PRESSURE: 3248000 235.804 75.894 -423.295 75.8941 148.551 -29.6944 -423.294 -29.6953 159.147 GPRESSURE: 3248000 226.383 54.7827 -352.193 17.159 152.673 -78.0062 -291.406 -83.8716 226.488 PRESSAVG: 3248000 -49.2972 20.6256 -0.59932 20.6256 78.8022 -16.1074 -0.599274 -16.1074 2.79468 GPRESSAVG: 3248000 -48.1566 22.0191 0.343817 19.8614 78.0249 -15.8171 -0.0902284 -15.2811 2.58107 TIMING: 3248000 CPU: 10149.4, 0.00311229/step Wall: 10149.4, 0.00311229/step, 1.51465 hours remaining, 235.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3248000 3954.1285 20574.2899 14476.4680 250.9432 -203135.5681 2475.3824 0.0000 0.0000 52238.8585 -109165.4975 300.2174 -161404.3560 -108801.7662 300.0068 181.1674 201.8476 761368.0524 10.7666 10.8165 PRESSURE: 3248200 86.1285 55.6808 84.0098 55.6804 198.682 97.1983 84.0105 97.1988 -143.875 GPRESSURE: 3248200 101.336 84.4355 175.075 62.1148 133.718 92.7758 49.6293 41.6437 -20.5286 PRESSAVG: 3248200 -47.4888 -12.9252 23.4609 -12.9252 82.2316 -13.3217 23.4608 -13.3217 -26.4681 GPRESSAVG: 3248200 -47.9963 -13.0497 25.8394 -13.6509 82.642 -13.6983 22.6784 -13.0095 -25.9695 TIMING: 3248200 CPU: 10150, 0.00312474/step Wall: 10150, 0.00312474/step, 1.52053 hours remaining, 235.222656 MB of memory in use. ENERGY: 3248200 4030.9944 20595.1310 14507.0149 229.0374 -203239.2343 2550.3228 0.0000 0.0000 52325.6121 -109001.1217 300.7160 -161326.7338 -108633.6581 299.6578 46.9784 71.5086 762037.7508 2.7582 2.8921 LDB: ============= START OF LOAD BALANCING ============== 10162.5 LDB: ============== END OF LOAD BALANCING =============== 10162.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10162.5 LDB: ============= START OF LOAD BALANCING ============== 10162.8 LDB: Largest compute 7007 load 0.031771 is 16.3% of average load 0.195127 LDB: Average compute 0.004394 is 2.3% of average load 0.195127 LDB: TIME 10162.8 LOAD: AVG 0.195127 MAX 0.212547 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.953 MB LDB: TIME 10162.8 LOAD: AVG 0.195127 MAX 0.212547 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.953 MB LDB: TIME 10162.8 LOAD: AVG 0.195127 MAX 0.212547 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.953 MB LDB: ============== END OF LOAD BALANCING =============== 10162.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10162.8 PRESSURE: 3248400 139.804 1.13646 16.9769 1.13552 123.839 155.021 16.9772 155.021 521.762 GPRESSURE: 3248400 66.5669 67.6101 89.9496 56.1554 237.266 196.268 -107.438 206.322 547.406 PRESSAVG: 3248400 -7.08448 -42.1906 -15.1334 -42.1906 6.27633 -36.0875 -15.1333 -36.0874 14.9498 GPRESSAVG: 3248400 -7.08037 -42.8182 -17.6531 -40.0852 6.17189 -35.1925 -13.7545 -36.8165 14.7613 TIMING: 3248400 CPU: 10150.6, 0.00320196/step Wall: 10150.6, 0.00320196/step, 1.55793 hours remaining, 235.023438 MB of memory in use. ENERGY: 3248400 3952.0832 20615.5968 14555.2963 251.3382 -202942.3539 2561.8906 0.0000 0.0000 52084.2576 -108921.8912 299.3289 -161006.1487 -108563.2392 300.4960 261.8015 283.7461 761288.4319 4.7139 4.6176 PRESSURE: 3248600 -49.7234 -99.2182 95.3392 -99.2192 100.565 -16.1748 95.3394 -16.1749 235.907 GPRESSURE: 3248600 77.9986 -103.695 139.067 68.6333 129.775 1.29476 -20.1815 36.4897 164.643 PRESSAVG: 3248600 15.4563 70.4446 6.04363 70.4447 5.83278 -16.3499 6.04358 -16.3499 -0.44791 GPRESSAVG: 3248600 15.6778 71.3741 5.92944 68.6649 5.91476 -16.2261 4.34164 -16.301 -0.922658 TIMING: 3248600 CPU: 10151.2, 0.00311574/step Wall: 10151.2, 0.00311574/step, 1.51581 hours remaining, 235.226562 MB of memory in use. ENERGY: 3248600 4068.1238 20621.9187 14432.1729 259.9138 -203167.9163 2842.7707 0.0000 0.0000 52154.3529 -108788.6634 299.7318 -160943.0163 -108425.9753 300.6609 95.5826 124.1390 761358.2592 6.9471 6.8900 PRESSURE: 3248800 -64.6601 -82.1728 -66.8648 -82.1732 144.286 20.1209 -66.8658 20.1209 54.6272 GPRESSURE: 3248800 -63.7416 -20.1878 27.4952 6.96837 142.529 5.32179 -75.6339 125.463 141.497 PRESSAVG: 3248800 -57.1791 -11.4258 -23.155 -11.4257 47.7535 -21.1436 -23.155 -21.1436 0.525658 GPRESSAVG: 3248800 -57.674 -12.7067 -21.0914 -11.2415 47.4824 -21.6105 -24.2807 -21.1948 1.37562 TIMING: 3248800 CPU: 10151.9, 0.00311702/step Wall: 10151.9, 0.00311702/step, 1.51626 hours remaining, 235.351562 MB of memory in use. ENERGY: 3248800 3985.3430 20746.7378 14547.3797 273.9217 -202951.6255 2530.2330 0.0000 0.0000 52035.2989 -108832.7114 299.0476 -160868.0103 -108471.3007 299.9720 44.7510 73.4284 761796.0213 -2.9667 -2.9387 PRESSURE: 3249000 -365.613 -107.459 25.11 -107.46 -348.252 -203.499 25.1103 -203.498 -106.253 GPRESSURE: 3249000 -288.825 -141.855 83.8695 -99.2449 -253.907 -161.663 31.1652 -83.5455 -179.3 PRESSAVG: 3249000 8.3441 -17.0745 36.8518 -17.0745 31.1551 -28.8166 36.8519 -28.8166 14.1294 GPRESSAVG: 3249000 8.78415 -17.1842 34.6494 -17.3391 30.8779 -27.9922 38.7735 -25.6728 13.8899 TIMING: 3249000 CPU: 10152.5, 0.00311727/step Wall: 10152.5, 0.00311727/step, 1.5162 hours remaining, 235.351562 MB of memory in use. ENERGY: 3249000 3995.3901 20700.9938 14519.1754 256.5748 -202963.0954 2667.8530 0.0000 0.0000 51967.7369 -108855.3712 298.6593 -160823.1081 -108490.2713 299.7020 -273.3725 -240.6775 764085.1162 17.8762 17.8507 PRESSURE: 3249200 247.776 -70.0749 -43.778 -70.0743 -120.157 -50.3858 -43.7779 -50.3857 199.854 GPRESSURE: 3249200 235.91 -151.403 -32.2144 -63.774 -94.0771 9.14765 -175.236 -62.7888 276.684 PRESSAVG: 3249200 -43.0021 -9.49548 -49.4704 -9.49551 73.8934 -45.6303 -49.4705 -45.6303 7.1894 GPRESSAVG: 3249200 -42.8346 -10.0741 -49.5325 -8.6274 73.2323 -46.6802 -50.685 -46.6689 7.24662 TIMING: 3249200 CPU: 10153.1, 0.00311783/step Wall: 10153.1, 0.00311783/step, 1.5163 hours remaining, 235.351562 MB of memory in use. ENERGY: 3249200 4049.2548 20524.9172 14550.1963 222.6243 -203372.4891 2706.4416 0.0000 0.0000 52503.4196 -108815.6352 301.7379 -161319.0547 -108450.2113 300.3511 109.1577 139.5057 761797.5352 12.6936 12.5481 PRESSURE: 3249400 162.549 -124.202 4.15163 -124.202 -78.3668 -240.96 4.15223 -240.96 132.893 GPRESSURE: 3249400 248.965 -143.48 54.0398 -148.241 -94.1258 -318.478 -21.7414 -214.99 136.703 PRESSAVG: 3249400 -25.9896 16.705 -23.351 16.705 1.5612 -63.0654 -23.351 -63.0654 5.92686 GPRESSAVG: 3249400 -25.8827 15.928 -22.902 15.9109 1.77189 -63.5227 -25.8654 -65.8048 5.23475 TIMING: 3249400 CPU: 10153.7, 0.00310952/step Wall: 10153.7, 0.00310952/step, 1.51209 hours remaining, 235.351562 MB of memory in use. ENERGY: 3249400 4016.5493 20572.7805 14536.9989 240.6913 -203001.7978 2835.7806 0.0000 0.0000 52052.7007 -108746.2965 299.1476 -160798.9972 -108390.2423 300.3544 72.3583 97.1806 761973.4101 -6.1672 -6.2920 PRESSURE: 3249600 422.584 32.8558 -17.0556 32.8562 -74.2869 63.7655 -17.0545 63.7645 241.057 GPRESSURE: 3249600 400.366 93.305 -14.473 -54.8937 41.6493 106.395 35.3686 77.7768 225.039 PRESSAVG: 3249600 22.8388 -38.5457 10.4624 -38.5457 -29.3065 -4.14662 10.4625 -4.14658 -5.31353 GPRESSAVG: 3249600 21.9249 -37.6405 11.3885 -37.1855 -28.4856 -3.18114 12.2735 -3.41209 -5.07476 TIMING: 3249600 CPU: 10154.4, 0.00312086/step Wall: 10154.4, 0.00312086/step, 1.51743 hours remaining, 235.351562 MB of memory in use. ENERGY: 3249600 4057.5697 20370.3089 14563.5153 242.2982 -203182.3645 2809.8182 0.0000 0.0000 52475.8738 -108662.9803 301.5796 -161138.8541 -108288.9651 300.2134 196.4514 222.3513 762545.1243 -3.9271 -3.8785 PRESSURE: 3249800 -161.229 167.65 39.8987 167.65 -214.146 329.845 39.8991 329.844 -75.0966 GPRESSURE: 3249800 -143.835 48.2205 107.552 243.199 -163.001 231.979 27.0851 305.913 -60.6183 PRESSAVG: 3249800 -16.0873 9.25194 10.2822 9.25195 3.53327 14.2344 10.2822 14.2344 0.139473 GPRESSAVG: 3249800 -17.1389 9.43136 10.4478 10.0003 3.37456 14.9708 9.03723 15.556 1.09373 TIMING: 3249800 CPU: 10155, 0.00312172/step Wall: 10155, 0.00312172/step, 1.51768 hours remaining, 235.351562 MB of memory in use. ENERGY: 3249800 4057.5853 20542.3888 14498.6038 243.7610 -202621.7769 2582.5548 0.0000 0.0000 52199.3258 -108497.5574 299.9902 -160696.8832 -108128.6773 300.4324 -150.1569 -122.4848 764129.8758 -4.1382 -4.2235 PRESSURE: 3250000 61.066 11.4719 108.003 11.4726 -168.396 -117.154 108.003 -117.153 -298.3 GPRESSURE: 3250000 197.506 -3.19391 90.6974 129.291 -192.992 -74.8366 -29.7966 -106.421 -320.83 PRESSAVG: 3250000 13.0347 -18.037 -23.5446 -18.0371 52.6582 -52.6045 -23.5445 -52.6045 -0.17174 GPRESSAVG: 3250000 13.9283 -17.9825 -24.0182 -18.417 52.1939 -55.5707 -22.0963 -52.6327 -0.28089 TIMING: 3250000 CPU: 10155.6, 0.00311854/step Wall: 10155.6, 0.00311854/step, 1.51596 hours remaining, 235.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3250000 4048.3839 20512.8179 14623.3555 256.9996 -202804.1485 2715.6593 0.0000 0.0000 52077.1493 -108569.7831 299.2881 -160646.9325 -108201.5366 300.7926 -135.2101 -105.4389 763900.5251 21.8404 21.9471 PRESSURE: 3250200 -77.2708 189.035 -56.5107 189.035 -167.611 -245.002 -56.5109 -245.002 18.4521 GPRESSURE: 3250200 -2.49228 118.119 17.6846 139.002 -124.154 -240.577 -37.6062 -272.869 -21.9081 PRESSAVG: 3250200 32.1676 -3.62517 -30.196 -3.62519 -23.4147 -36.8357 -30.196 -36.8357 -11.0091 GPRESSAVG: 3250200 32.919 -4.75348 -29.431 -3.10393 -24.0871 -35.6313 -31.5014 -37.5458 -11.3192 TIMING: 3250200 CPU: 10156.2, 0.00310713/step Wall: 10156.2, 0.00310713/step, 1.51024 hours remaining, 235.351562 MB of memory in use. ENERGY: 3250200 4077.1697 20427.6677 14468.8629 265.5799 -203309.8111 2728.9669 0.0000 0.0000 52455.2636 -108886.3004 301.4611 -161341.5640 -108522.5434 299.7842 -75.4766 -49.5182 762272.7855 -0.7521 -0.8291 PRESSURE: 3250400 230.875 -118.522 -91.8922 -118.522 -117.979 -6.25588 -91.8919 -6.25663 168.226 GPRESSURE: 3250400 202.586 -121.235 -157.1 -182.86 -21.9964 -4.96586 -173.582 -158.163 181.394 PRESSAVG: 3250400 -0.972763 -20.6113 -35.1644 -20.6113 -49.7926 -47.6742 -35.1644 -47.6742 34.1853 GPRESSAVG: 3250400 -1.05471 -20.8553 -37.1426 -22.4719 -49.4893 -46.875 -35.321 -47.0047 34.5455 TIMING: 3250400 CPU: 10156.9, 0.0031043/step Wall: 10156.9, 0.0031043/step, 1.50869 hours remaining, 235.351562 MB of memory in use. ENERGY: 3250400 3984.1495 20525.6058 14519.4881 252.6659 -203309.2770 2788.1233 0.0000 0.0000 52250.5980 -108988.6463 300.2849 -161239.2443 -108620.6960 300.1032 93.7074 120.6614 764009.7651 -5.5267 -5.3328 PRESSURE: 3250600 -59.221 -15.4002 -62.6967 -15.4004 -38.6729 66.5422 -62.6962 66.5427 131.892 GPRESSURE: 3250600 -25.9771 -45.9992 11.221 64.8376 -6.01844 -22.3301 -0.305649 50.728 139.629 PRESSAVG: 3250600 22.3142 -78.5037 -20.5607 -78.5036 -24.1798 -31.5197 -20.5607 -31.5198 20.3714 GPRESSAVG: 3250600 23.0527 -76.6588 -20.5087 -77.5028 -23.9933 -32.0539 -18.834 -32.6087 19.3321 TIMING: 3250600 CPU: 10157.5, 0.00310779/step Wall: 10157.5, 0.00310779/step, 1.51021 hours remaining, 235.351562 MB of memory in use. ENERGY: 3250600 4055.1586 20561.8837 14550.8737 244.8121 -203312.6492 2706.3041 0.0000 0.0000 51974.7499 -109218.8670 298.6996 -161193.6170 -108855.3050 299.9224 11.3326 35.8778 763966.7021 6.1686 6.1305 PRESSURE: 3250800 161.654 252.896 -37.9793 252.896 -67.2425 -14.4989 -37.9796 -14.4987 205.618 GPRESSURE: 3250800 87.8719 125.779 -130.414 148.048 -15.2915 -0.516215 -45.306 85.0879 297.37 PRESSAVG: 3250800 38.9107 -21.0332 -28.6908 -21.0332 -10.9103 20.3854 -28.6908 20.3853 -25.2423 GPRESSAVG: 3250800 38.8408 -23.1892 -27.3004 -19.2088 -12.6225 20.7807 -30.5306 21.7605 -23.3885 TIMING: 3250800 CPU: 10158.1, 0.00310273/step Wall: 10158.1, 0.00310273/step, 1.50758 hours remaining, 235.351562 MB of memory in use. ENERGY: 3250800 3945.1689 20486.6724 14550.1356 254.4453 -203274.2145 2710.0789 0.0000 0.0000 52183.1135 -109144.6000 299.8971 -161327.7135 -108778.0389 299.8090 100.0101 123.3170 763273.7121 0.9194 0.9433 PRESSURE: 3251000 -18.2051 -132.09 -202.019 -132.09 -144.717 -65.94 -202.02 -65.9413 -96.8017 GPRESSURE: 3251000 -37.7081 -70.3664 -142.715 -139.355 -65.5447 -0.0821402 -295.829 -168.353 -45.3787 PRESSAVG: 3251000 -1.38575 -84.4159 -80.9343 -84.416 12.5259 -22.7843 -80.9343 -22.7842 -36.199 GPRESSAVG: 3251000 -2.38482 -82.5228 -82.425 -87.1601 13.6005 -23.6551 -81.2923 -23.6995 -36.3225 TIMING: 3251000 CPU: 10158.7, 0.00313901/step Wall: 10158.7, 0.00313901/step, 1.52504 hours remaining, 235.351562 MB of memory in use. ENERGY: 3251000 3971.4204 20586.7130 14483.7020 245.4282 -203150.9548 2643.2002 0.0000 0.0000 51830.1385 -109390.3526 297.8685 -161220.4911 -109027.0857 298.7536 -86.5746 -49.5439 763107.5280 -8.3530 -8.3690 PRESSURE: 3251200 -119.208 -28.5014 -80.3313 -28.4992 9.57919 22.0116 -80.3308 22.0118 167.234 GPRESSURE: 3251200 -127.895 33.7689 -113.779 35.4046 111.576 53.1074 -30.7479 6.63849 134.591 PRESSAVG: 3251200 -14.2446 -45.363 -63.2296 -45.3631 52.6162 -22.2494 -63.2296 -22.2493 24.1629 GPRESSAVG: 3251200 -13.7285 -44.1931 -62.1622 -45.3004 53.5754 -19.8198 -62.4259 -23.7542 23.1679 TIMING: 3251200 CPU: 10159.3, 0.00311549/step Wall: 10159.3, 0.00311549/step, 1.51343 hours remaining, 235.351562 MB of memory in use. ENERGY: 3251200 3999.1763 20240.0437 14489.3754 231.6235 -203184.0306 2670.1621 0.0000 0.0000 51976.1999 -109577.4497 298.7079 -161553.6496 -109208.3769 298.5769 19.2017 39.4239 763217.3724 20.8448 21.0049 PRESSURE: 3251400 -318.435 49.6181 11.2065 49.6183 -176.14 36.374 11.2068 36.3742 183.944 GPRESSURE: 3251400 -322.236 59.2583 -77.7256 24.0928 -76.5465 -112.961 85.5669 191.957 163.536 PRESSAVG: 3251400 7.22456 -40.9774 -6.506 -40.9774 -29.8402 -1.58529 -6.50602 -1.58516 7.46719 GPRESSAVG: 3251400 7.21685 -42.7399 -6.79448 -42.1945 -30.0488 -2.84244 -4.9417 -0.0917546 7.27905 TIMING: 3251400 CPU: 10160, 0.00310162/step Wall: 10160, 0.00310162/step, 1.50653 hours remaining, 235.351562 MB of memory in use. ENERGY: 3251400 4013.7949 20409.3227 14498.5655 249.7694 -203450.5641 2772.4729 0.0000 0.0000 51808.3153 -109698.3235 297.7431 -161506.6388 -109337.1746 298.4171 -103.5438 -78.4158 762026.7699 -5.0495 -5.1843 PRESSURE: 3251600 130.845 -89.3591 -14.104 -89.3591 272.768 21.18 -14.1036 21.1802 347.55 GPRESSURE: 3251600 278.934 0.482322 35.8956 -147.26 234.054 8.37303 -22.5188 -35.2867 345.581 PRESSAVG: 3251600 -11.8144 -34.1813 -24.4289 -34.1812 3.72023 -30.5041 -24.429 -30.5042 16.8728 GPRESSAVG: 3251600 -12.009 -33.8597 -24.7506 -33.3615 2.15951 -30.0146 -24.6287 -30.3646 18.0008 TIMING: 3251600 CPU: 10160.6, 0.00311503/step Wall: 10160.6, 0.00311503/step, 1.51287 hours remaining, 235.351562 MB of memory in use. ENERGY: 3251600 3987.8761 20506.5305 14417.1479 244.8888 -203477.5075 2950.3897 0.0000 0.0000 51819.8181 -109550.8564 297.8092 -161370.6745 -109197.1067 297.9612 250.3879 286.1898 761663.1217 2.9262 2.7171 PRESSURE: 3251800 107.005 -244.591 220.985 -244.591 -227.865 -71.5995 220.984 -71.6003 -266.247 GPRESSURE: 3251800 32.4257 -254.5 204.81 -218.006 -69.574 -102.783 202.604 -112.995 -274.813 PRESSAVG: 3251800 18.7449 10.2368 -38.3306 10.2368 12.8441 -40.0705 -38.3306 -40.0706 -18.018 GPRESSAVG: 3251800 19.2678 11.0875 -38.2096 12.0023 13.6807 -39.8277 -37.9514 -41.6453 -19.5863 TIMING: 3251800 CPU: 10161.2, 0.00311738/step Wall: 10161.2, 0.00311738/step, 1.51383 hours remaining, 235.351562 MB of memory in use. ENERGY: 3251800 3964.3943 20382.4356 14505.5711 259.1951 -203562.2257 2842.2953 0.0000 0.0000 52117.4573 -109490.8772 299.5197 -161608.3344 -109112.2759 298.5179 -129.0355 -103.9872 761943.7098 4.5237 4.4541 PRESSURE: 3252000 -115.211 -33.293 -38.331 -33.2927 5.75103 -224.298 -38.3313 -224.298 -478.46 GPRESSURE: 3252000 -125.374 68.5723 -8.09754 78.1992 16.0871 -156.63 70.8421 -196.006 -398.504 PRESSAVG: 3252000 46.2573 -21.5338 3.67818 -21.5339 -51.271 -50.0772 3.6782 -50.0773 -12.9416 GPRESSAVG: 3252000 44.8965 -21.8503 4.75253 -21.9092 -51.0459 -49.8046 2.55954 -48.5745 -11.7359 TIMING: 3252000 CPU: 10161.8, 0.00312541/step Wall: 10161.8, 0.00312541/step, 1.51756 hours remaining, 235.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3252000 3963.5114 20608.5498 14472.6464 236.4634 -203278.0556 2641.3213 0.0000 0.0000 51919.6540 -109435.9092 298.3830 -161355.5632 -109083.3740 298.4933 -195.9732 -169.2636 763959.9401 -5.9851 -5.9618 PRESSURE: 3252200 38.7698 -12.0569 -72.9208 -12.0573 -26.3839 39.3854 -72.9211 39.3844 -13.6744 GPRESSURE: 3252200 -36.1772 -165.868 -81.2074 101.936 83.3126 19.4179 -57.8271 104.469 36.314 PRESSAVG: 3252200 60.3686 -19.4712 -9.17383 -19.4712 -68.096 -14.9209 -9.17389 -14.9209 1.38784 GPRESSAVG: 3252200 58.5994 -21.8056 -10.1183 -19.9366 -66.3899 -17.778 -7.84424 -14.5963 1.28479 TIMING: 3252200 CPU: 10162.5, 0.0031322/step Wall: 10162.5, 0.0031322/step, 1.52068 hours remaining, 235.351562 MB of memory in use. ENERGY: 3252200 3978.9477 20738.0574 14479.9086 256.1535 -203521.7818 2951.9068 0.0000 0.0000 52079.0078 -109037.8000 299.2988 -161116.8079 -108680.5575 299.4223 -0.4295 27.8165 763265.2701 -2.1132 -2.1686 LDB: ============= START OF LOAD BALANCING ============== 10174.9 LDB: ============== END OF LOAD BALANCING =============== 10174.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10174.9 LDB: ============= START OF LOAD BALANCING ============== 10175.3 LDB: Largest compute 7007 load 0.031270 is 16.0% of average load 0.195275 LDB: Average compute 0.004400 is 2.3% of average load 0.195275 LDB: TIME 10175.3 LOAD: AVG 0.195275 MAX 0.213752 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.582 MB LDB: TIME 10175.3 LOAD: AVG 0.195275 MAX 0.213752 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.582 MB LDB: TIME 10175.3 LOAD: AVG 0.195275 MAX 0.213752 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.582 MB LDB: ============== END OF LOAD BALANCING =============== 10175.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10175.3 PRESSURE: 3252400 -170.588 -172.428 -147.435 -172.429 -341.799 -107.968 -147.435 -107.968 -47.297 GPRESSURE: 3252400 -176.564 -101.926 -61.3825 -135.304 -251.762 -167.815 -290.278 -104.397 -69.6451 PRESSAVG: 3252400 -45.4614 -30.7031 -27.1236 -30.7031 35.4149 3.24265 -27.1236 3.24263 -4.44416 GPRESSAVG: 3252400 -43.3906 -30.0673 -26.826 -29.7536 34.2704 4.8137 -27.5983 1.71405 -5.11245 TIMING: 3252400 CPU: 10163.1, 0.00318266/step Wall: 10163.1, 0.00318266/step, 1.545 hours remaining, 233.230469 MB of memory in use. ENERGY: 3252400 3971.9697 20649.5776 14515.6617 244.4299 -203151.6711 2571.0365 0.0000 0.0000 52203.2488 -108995.7469 300.0128 -161198.9957 -108634.6199 300.1052 -186.5611 -165.9903 763953.5954 -4.8302 -4.7442 PRESSURE: 3252600 104.096 134.513 44.0447 134.512 24.3818 -68.5185 44.0453 -68.5185 -134.62 GPRESSURE: 3252600 82.5117 156.62 43.2683 179.527 142.439 -177.878 4.71507 -50.2564 -148.169 PRESSAVG: 3252600 40.1435 -0.370259 49.437 -0.370308 -24.2117 -53.0892 49.4371 -53.0893 -2.88702 GPRESSAVG: 3252600 40.4631 0.299694 48.5789 -0.617533 -25.3492 -53.7716 47.6419 -51.725 -1.96542 TIMING: 3252600 CPU: 10163.7, 0.00311115/step Wall: 10163.7, 0.00311115/step, 1.51012 hours remaining, 233.230469 MB of memory in use. ENERGY: 3252600 4040.3498 20609.7851 14505.1192 245.8013 -203411.0766 2898.1424 0.0000 0.0000 52134.2834 -108977.5953 299.6164 -161111.8787 -108611.4789 299.7435 -2.0475 25.5937 762940.2410 4.3483 4.3828 PRESSURE: 3252800 96.0099 7.08594 67.7303 7.08734 -102.02 -168.187 67.7318 -168.187 88.5717 GPRESSURE: 3252800 176.102 60.5548 94.4423 -21.9659 -66.2799 -98.9135 175.513 -115.642 61.975 PRESSAVG: 3252800 3.90437 11.6992 6.34502 11.6992 23.2828 -22.0579 6.345 -22.0579 7.38702 GPRESSAVG: 3252800 4.10628 11.3826 7.57743 9.45898 24.5888 -22.1946 7.15285 -22.1387 6.17406 TIMING: 3252800 CPU: 10164.3, 0.00310067/step Wall: 10164.3, 0.00310067/step, 1.50486 hours remaining, 233.230469 MB of memory in use. ENERGY: 3252800 4047.5747 20609.2683 14539.1414 239.8420 -203366.7164 2837.4361 0.0000 0.0000 51965.1373 -109128.3167 298.6444 -161093.4539 -108761.2903 299.5798 27.5204 57.2655 764139.8350 11.5247 11.6230 PRESSURE: 3253000 -78.8459 -136.015 222.811 -136.016 -252.53 76.0989 222.811 76.0995 88.8642 GPRESSURE: 3253000 -17.7345 -133.238 201.341 -193.913 -219.281 19.3848 116.21 144.449 80.1553 PRESSAVG: 3253000 0.740351 -52.0988 22.6844 -52.0989 -0.262043 -84.4804 22.6845 -84.4804 8.67996 GPRESSAVG: 3253000 0.459966 -50.4804 23.2844 -52.889 -1.73976 -84.7197 21.506 -84.8862 9.85266 TIMING: 3253000 CPU: 10165, 0.00309769/step Wall: 10165, 0.00309769/step, 1.50324 hours remaining, 233.230469 MB of memory in use. ENERGY: 3253000 3996.0541 20661.5346 14531.8982 266.1982 -203588.7195 2833.4872 0.0000 0.0000 52178.1421 -109121.4052 299.8685 -161299.5473 -108762.9352 300.1398 -80.8372 -52.2868 764837.0026 3.0528 2.8576 PRESSURE: 3253200 -165.433 71.4417 28.2902 71.4411 -64.0904 18.9412 28.2909 18.9408 147.976 GPRESSURE: 3253200 -155.274 153.717 -25.8409 48.4566 -64.3144 24.6102 -150.083 -67.6292 202.49 PRESSAVG: 3253200 -21.8949 -68.6289 67.2025 -68.6288 1.7789 10.9401 67.2026 10.9401 28.8807 GPRESSAVG: 3253200 -22.0044 -69.9618 67.2645 -66.5676 2.12987 12.7595 67.4961 7.29519 28.2752 TIMING: 3253200 CPU: 10165.6, 0.00310806/step Wall: 10165.6, 0.00310806/step, 1.5081 hours remaining, 233.230469 MB of memory in use. ENERGY: 3253200 3966.3948 20427.0412 14532.4207 246.6961 -203279.6724 2817.7939 0.0000 0.0000 52188.3996 -109100.9261 299.9274 -161289.3257 -108742.1374 299.9313 -27.1825 -5.6993 763842.0196 2.9216 2.8002 PRESSURE: 3253400 -234.246 -98.465 228.695 -98.4644 176.535 -221.317 228.695 -221.318 113.211 GPRESSURE: 3253400 -87.5435 -50.4949 233.521 -126.769 144.297 -164.411 290.673 -274.729 60.902 PRESSAVG: 3253400 -13.2541 -53.0716 25.0661 -53.0716 1.31784 28.0442 25.0661 28.0442 -4.56268 GPRESSAVG: 3253400 -12.2187 -52.5547 24.8451 -52.9867 1.4321 26.4096 24.7548 32.4459 -5.51054 TIMING: 3253400 CPU: 10166.2, 0.00310837/step Wall: 10166.2, 0.00310837/step, 1.50808 hours remaining, 233.230469 MB of memory in use. ENERGY: 3253400 3962.4481 20469.5236 14452.1272 243.7576 -203282.5100 2940.8555 0.0000 0.0000 52033.4053 -109180.3927 299.0367 -161213.7980 -108822.1302 299.4018 18.5001 39.2184 763011.2299 -5.4997 -5.4324 PRESSURE: 3253600 356.191 51.3907 -212.916 51.3909 290.697 -50.0071 -212.916 -50.0074 174.032 GPRESSURE: 3253600 334.964 -27.1197 -311.245 -45.3045 312.844 41.6468 -16.1666 78.8414 258.744 PRESSAVG: 3253600 74.0329 -41.6867 4.26233 -41.6867 -50.1181 -11.9473 4.26237 -11.9473 2.65879 GPRESSAVG: 3253600 73.938 -43.2251 2.32293 -41.5525 -51.1518 -10.1757 7.20075 -12.7139 4.11759 TIMING: 3253600 CPU: 10166.8, 0.0031217/step Wall: 10166.8, 0.0031217/step, 1.51437 hours remaining, 233.230469 MB of memory in use. ENERGY: 3253600 4034.4730 20538.6939 14576.9650 231.9074 -203861.0674 3054.9761 0.0000 0.0000 52233.5096 -109190.5423 300.1867 -161424.0519 -108827.2793 299.7191 273.6402 302.1842 761130.8914 8.8579 8.9679 PRESSURE: 3253800 -395.052 30.1629 -175.001 30.1631 -73.5527 137.085 -175.002 137.086 178.739 GPRESSURE: 3253800 -263.424 35.963 -126.452 -58.4836 -60.2448 164.845 -101.989 138.659 108.632 PRESSAVG: 3253800 -31.013 3.07144 -2.92202 3.07144 1.62611 -24.0533 -2.92199 -24.0532 17.0882 GPRESSAVG: 3253800 -33.2329 5.36458 -0.957451 0.963204 3.85412 -25.2942 -5.39565 -24.3073 17.1339 TIMING: 3253800 CPU: 10167.5, 0.0031063/step Wall: 10167.5, 0.0031063/step, 1.50673 hours remaining, 233.230469 MB of memory in use. ENERGY: 3253800 3944.2986 20631.8153 14426.8383 259.3246 -203383.7438 2899.3809 0.0000 0.0000 51970.9897 -109251.0963 298.6780 -161222.0861 -108893.0071 299.6329 -96.6218 -71.6790 763714.3883 -4.0995 -4.0816 PRESSURE: 3254000 300.749 -7.4011 62.8223 -7.40136 -69.2702 38.0808 62.8223 38.0809 275.689 GPRESSURE: 3254000 427.874 99.8177 43.4838 -146.796 -107.691 24.5487 -188.714 100.261 267.423 PRESSAVG: 3254000 2.44663 51.5342 -84.0566 51.5342 -27.7689 13.9125 -84.0566 13.9125 -11.5891 GPRESSAVG: 3254000 4.33317 51.0164 -84.8859 51.7536 -29.2455 13.3606 -85.5181 15.3767 -12.0988 TIMING: 3254000 CPU: 10168.1, 0.00311026/step Wall: 10168.1, 0.00311026/step, 1.50847 hours remaining, 233.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3254000 3894.2826 20651.8593 14483.2158 258.3927 -203295.2313 2751.7721 0.0000 0.0000 52309.4167 -108946.2920 300.6229 -161255.7087 -108576.2207 299.4759 169.0560 195.8685 762408.9887 -12.3038 -12.3370 PRESSURE: 3254200 283.051 217.892 40.3264 217.891 17.0968 283.998 40.3267 283.997 -302.854 GPRESSURE: 3254200 239.478 182.431 126.81 130.146 53.6435 333.787 70.4977 139.496 -217.989 PRESSAVG: 3254200 49.6671 30.5467 -6.48728 30.5467 -50.9067 6.94495 -6.48727 6.94505 -7.33585 GPRESSAVG: 3254200 49.1199 29.7736 -6.8838 30.3351 -49.2661 6.84457 -3.03763 7.21027 -8.35459 TIMING: 3254200 CPU: 10168.7, 0.00310577/step Wall: 10168.7, 0.00310577/step, 1.50613 hours remaining, 233.230469 MB of memory in use. ENERGY: 3254200 4052.2956 20290.5749 14548.9782 251.0386 -203490.3431 3021.5202 0.0000 0.0000 52330.9733 -108994.9623 300.7468 -161325.9356 -108636.9414 300.6922 -0.9021 25.0443 764423.1871 -2.8585 -2.8336 PRESSURE: 3254400 -314.039 69.1649 -172.729 69.1652 -239.882 43.837 -172.729 43.8361 -318.282 GPRESSURE: 3254400 -256.146 27.8728 -119.406 69.7721 -181.089 89.4548 -195.398 94.3829 -337.458 PRESSAVG: 3254400 -15.8684 46.9296 1.63362 46.9297 17.0435 44.3293 1.63359 44.3291 -32.1555 GPRESSAVG: 3254400 -16.8339 46.3945 1.62639 46.5306 17.0403 44.2558 1.3802 41.5174 -31.0393 TIMING: 3254400 CPU: 10169.3, 0.00308367/step Wall: 10169.3, 0.00308367/step, 1.49524 hours remaining, 233.230469 MB of memory in use. ENERGY: 3254400 4007.0292 20617.7202 14497.2207 245.3030 -203613.4109 2832.0892 0.0000 0.0000 52324.0082 -109090.0403 300.7068 -161414.0486 -108729.9161 300.3712 -290.7345 -258.2310 762282.5754 -10.3268 -10.2776 PRESSURE: 3254600 87.2866 -28.6994 -29.5961 -28.6997 224.633 -141.986 -29.5968 -141.986 428.645 GPRESSURE: 3254600 123.517 -65.6896 -6.73006 17.4267 332.358 -163.865 -117.36 -154.045 358.85 PRESSAVG: 3254600 -79.2107 9.20069 -28.9798 9.20069 25.0039 55.072 -28.9798 55.072 17.2118 GPRESSAVG: 3254600 -77.8869 8.6687 -27.205 12.4012 24.8825 54.6603 -29.296 57.5255 16.1713 TIMING: 3254600 CPU: 10169.9, 0.00310112/step Wall: 10169.9, 0.00310112/step, 1.50353 hours remaining, 233.230469 MB of memory in use. ENERGY: 3254600 3949.8643 20455.9808 14423.0490 253.2795 -203370.9707 2812.3691 0.0000 0.0000 52145.3688 -109331.0592 299.6802 -161476.4280 -108971.9546 299.3190 246.8548 271.5747 762454.4765 -12.3317 -12.2777 PRESSURE: 3254800 -23.063 -193.807 281.978 -193.806 -96.7158 103.111 281.978 103.11 -512.438 GPRESSURE: 3254800 -42.3939 -201.016 187.34 -198.093 -32.1699 93.1498 186.778 156.232 -472.611 PRESSAVG: 3254800 42.8747 -12.2004 6.65251 -12.2004 -67.0122 -10.6699 6.65255 -10.6699 6.23967 GPRESSAVG: 3254800 42.4107 -10.1016 5.99169 -14.8624 -66.8276 -9.58189 4.39086 -11.3067 6.75122 TIMING: 3254800 CPU: 10170.6, 0.00310714/step Wall: 10170.6, 0.00310714/step, 1.50627 hours remaining, 233.230469 MB of memory in use. ENERGY: 3254800 3994.6853 20364.4567 14398.0609 234.5274 -203044.0131 2406.5946 0.0000 0.0000 52198.7839 -109446.9043 299.9871 -161645.6882 -109074.1552 299.4515 -210.7388 -182.3917 762127.2078 -5.9659 -5.8886 PRESSURE: 3255000 18.6862 124.423 231.862 124.422 237.303 -17.8838 231.862 -17.8832 212.508 GPRESSURE: 3255000 94.7541 89.9292 88.8467 60.544 208.624 -8.05499 283.278 55.402 250.506 PRESSAVG: 3255000 103.995 -4.24783 -38.7365 -4.24783 -100.875 -13.9671 -38.7365 -13.9671 32.5013 GPRESSAVG: 3255000 103.715 -7.03246 -39.8506 -0.813577 -101.254 -15.6805 -35.6695 -14.2887 32.6659 TIMING: 3255000 CPU: 10171.2, 0.00310456/step Wall: 10171.2, 0.00310457/step, 1.50485 hours remaining, 233.230469 MB of memory in use. ENERGY: 3255000 3910.1375 20460.2762 14367.5814 254.5820 -203482.9362 2811.1033 0.0000 0.0000 52120.9285 -109558.3272 299.5397 -161679.2557 -109184.6862 299.5340 156.1655 184.6281 760918.7959 11.8739 11.7089 PRESSURE: 3255200 -98.0251 57.2479 60.6369 57.2483 -65.0271 49.906 60.6359 49.906 122.579 GPRESSURE: 3255200 -46.3558 30.9226 45.2762 77.5233 -39.807 -12.447 113.528 39.7731 129.812 PRESSAVG: 3255200 2.69631 19.8728 -15.3687 19.8728 -19.7973 -13.7891 -15.3687 -13.7892 -13.6767 GPRESSAVG: 3255200 3.69629 21.9124 -15.386 15.6544 -20.4311 -12.7783 -15.4581 -14.7933 -13.7866 TIMING: 3255200 CPU: 10171.8, 0.00311142/step Wall: 10171.8, 0.00311141/step, 1.508 hours remaining, 233.230469 MB of memory in use. ENERGY: 3255200 4035.9116 20549.0670 14448.6204 238.8074 -203796.0668 2753.0277 0.0000 0.0000 52175.5905 -109595.0422 299.8538 -161770.6327 -109222.2894 299.2057 -13.4911 14.5496 759115.1591 -10.2592 -10.1738 PRESSURE: 3255400 -46.5491 18.722 157.032 18.7221 79.1432 44.1023 157.031 44.1003 209.221 GPRESSURE: 3255400 72.0632 25.3652 198.362 27.0128 26.8626 34.3636 -64.791 132.148 228.796 PRESSAVG: 3255400 56.4182 13.4193 -6.96871 13.4193 -68.2658 34.9734 -6.96873 34.9733 -17.7757 GPRESSAVG: 3255400 55.9635 11.5158 -5.99602 14.2577 -67.5294 36.4584 -8.35062 33.4413 -18.2265 TIMING: 3255400 CPU: 10172.4, 0.00313426/step Wall: 10172.4, 0.00313426/step, 1.5189 hours remaining, 233.230469 MB of memory in use. ENERGY: 3255400 3998.1399 20570.3321 14400.3399 230.6154 -203599.5200 2769.6555 0.0000 0.0000 51994.7266 -109635.7107 298.8144 -161630.4373 -109274.8447 298.6373 80.6050 109.2406 760314.7305 -9.8744 -9.9308 PRESSURE: 3255600 -15.5774 -111.877 -119.741 -111.878 298.497 -137.082 -119.74 -137.081 351.469 GPRESSURE: 3255600 41.7601 -133.06 -119.804 -97.8004 271.864 -114.907 -18.9575 -125.377 423.609 PRESSAVG: 3255600 -1.4925 28.3487 -34.5516 28.3487 14.1547 5.04054 -34.5516 5.04055 -3.06773 GPRESSAVG: 3255600 -1.63321 28.0284 -34.4245 29.9442 13.8042 3.88239 -33.2682 7.60643 -2.42073 TIMING: 3255600 CPU: 10173, 0.00312207/step Wall: 10173, 0.00312207/step, 1.51282 hours remaining, 233.230469 MB of memory in use. ENERGY: 3255600 4004.5452 20589.6345 14442.6264 245.8715 -203648.5579 2927.0793 0.0000 0.0000 52058.1746 -109380.6264 299.1790 -161438.8010 -109016.5216 299.0599 211.4630 245.7443 761352.1455 3.1982 3.2501 PRESSURE: 3255800 121.424 -174.381 -54.9296 -174.38 217.174 137.49 -54.9299 137.49 -298.506 GPRESSURE: 3255800 87.2454 -127.912 -58.2896 -92.7099 293.401 172.804 52.2024 114.385 -259.387 PRESSAVG: 3255800 -31.1131 -10.986 19.6636 -10.986 56.3641 -20.0539 19.6636 -20.0539 10.1761 GPRESSAVG: 3255800 -32.1648 -8.81586 20.0636 -12.7107 57.8832 -20.7499 17.9838 -19.9468 9.2829 TIMING: 3255800 CPU: 10173.7, 0.00311013/step Wall: 10173.7, 0.00311013/step, 1.50686 hours remaining, 233.230469 MB of memory in use. ENERGY: 3255800 4000.2948 20437.9323 14402.4389 249.7157 -203094.3943 2427.1062 0.0000 0.0000 52164.7618 -109412.1445 299.7916 -161576.9064 -109045.8774 299.0475 13.3640 40.4199 761231.5974 11.8091 11.6671 PRESSURE: 3256000 -160.623 -108.133 32.9159 -108.134 -247.097 -211.653 32.9156 -211.653 -107.008 GPRESSURE: 3256000 -189.922 -77.7888 -58.0064 -88.4941 -133.33 -228.109 149.561 -135.584 -119.747 PRESSAVG: 3256000 -32.3004 -56.6363 44.1081 -56.6363 73.7913 -28.2343 44.1081 -28.2344 21.9706 GPRESSAVG: 3256000 -30.9298 -57.6797 41.4839 -54.5276 71.8064 -24.9905 44.8879 -28.7469 22.1689 TIMING: 3256000 CPU: 10174.3, 0.00311444/step Wall: 10174.3, 0.00311444/step, 1.50877 hours remaining, 233.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3256000 4017.2912 20616.4129 14476.1678 246.3267 -203447.0066 2754.1181 0.0000 0.0000 51985.8624 -109350.8275 298.7635 -161336.6899 -108992.7802 299.0363 -171.5760 -147.6662 760899.1758 21.1538 21.0151 PRESSURE: 3256200 -201.682 73.6679 26.8009 73.6687 -232.82 267.663 26.8013 267.663 -266.239 GPRESSURE: 3256200 -232.634 145.012 55.2728 78.1283 -135.753 297.857 -75.436 224.973 -246.253 PRESSAVG: 3256200 15.1075 -1.25885 31.2049 -1.25889 8.37181 3.19368 31.2049 3.19358 15.3845 GPRESSAVG: 3256200 13.5084 0.155666 31.4214 -2.25532 9.26921 0.341191 31.9063 4.54818 15.8554 TIMING: 3256200 CPU: 10174.9, 0.00310432/step Wall: 10174.9, 0.00310432/step, 1.5037 hours remaining, 233.230469 MB of memory in use. ENERGY: 3256200 4019.0466 20593.6860 14456.8102 235.8552 -203224.8050 2652.7389 0.0000 0.0000 51976.1994 -109290.4687 298.7079 -161266.6681 -108932.0615 299.2409 -233.5804 -204.8798 761594.4312 12.9546 12.8777 LDB: ============= START OF LOAD BALANCING ============== 10187.4 LDB: ============== END OF LOAD BALANCING =============== 10187.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10187.4 LDB: ============= START OF LOAD BALANCING ============== 10187.7 LDB: Largest compute 7007 load 0.030245 is 15.5% of average load 0.195231 LDB: Average compute 0.004371 is 2.2% of average load 0.195231 LDB: TIME 10187.7 LOAD: AVG 0.195231 MAX 0.21512 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 10187.7 LOAD: AVG 0.195231 MAX 0.21512 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.348 MB LDB: TIME 10187.7 LOAD: AVG 0.195231 MAX 0.21512 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.348 MB LDB: ============== END OF LOAD BALANCING =============== 10187.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10187.7 PRESSURE: 3256400 69.9378 55.7361 70.3445 55.7365 -14.5573 86.9747 70.3442 86.9745 -39.5271 GPRESSURE: 3256400 26.7391 61.2376 64.2426 41.4892 17.4607 30.0268 104.14 157.875 42.0435 PRESSAVG: 3256400 -6.69319 61.5649 27.8984 61.565 -5.11381 28.1771 27.8984 28.1772 -5.09447 GPRESSAVG: 3256400 -5.3202 60.0608 28.0664 62.9687 -5.1872 27.2975 28.4455 26.3272 -6.26752 TIMING: 3256400 CPU: 10175.6, 0.00320367/step Wall: 10175.6, 0.00320367/step, 1.55165 hours remaining, 235.023438 MB of memory in use. ENERGY: 3256400 4001.0456 20567.5556 14494.4600 226.3694 -203550.6738 3014.9720 0.0000 0.0000 52060.6369 -109185.6343 299.1932 -161246.2713 -108827.5561 299.1280 5.2845 28.7477 762956.2270 -5.6338 -5.5916 PRESSURE: 3256600 238.68 8.49967 -140.345 8.50042 46.4017 -78.9353 -140.345 -78.9344 -279.819 GPRESSURE: 3256600 273.435 -130.115 -102.751 -46.7149 115.96 -89.6304 -122.813 -129.298 -293.073 PRESSAVG: 3256600 -45.4041 6.35886 34.1544 6.35889 11.5079 -0.76718 34.1545 -0.767145 -2.95189 GPRESSAVG: 3256600 -44.7653 5.31532 36.7596 4.18714 11.0824 1.01218 31.8423 1.14284 -2.813 TIMING: 3256600 CPU: 10176.2, 0.00312385/step Wall: 10176.2, 0.00312385/step, 1.51281 hours remaining, 235.226562 MB of memory in use. ENERGY: 3256600 3971.0896 20539.1323 14495.4504 240.9439 -203229.2498 2806.9992 0.0000 0.0000 52048.5791 -109127.0553 299.1239 -161175.6344 -108756.5955 298.9623 1.7544 32.1075 762327.5967 -12.2827 -12.1653 PRESSURE: 3256800 -192.48 30.7714 148.431 30.7716 -263.593 -159.921 148.431 -159.921 -123.592 GPRESSURE: 3256800 -109.357 -138.911 179.665 25.8904 -263.602 -204.095 87.5095 -192.889 -127.094 PRESSAVG: 3256800 16.5647 16.9196 14.3707 16.9196 -11.4214 18.1751 14.3707 18.1752 20.9314 GPRESSAVG: 3256800 16.9436 17.8597 13.2147 17.3459 -10.6564 17.6157 15.3245 17.0749 19.8064 TIMING: 3256800 CPU: 10176.8, 0.00310806/step Wall: 10176.8, 0.00310806/step, 1.50499 hours remaining, 235.226562 MB of memory in use. ENERGY: 3256800 4025.6536 20580.9619 14506.3489 259.6636 -203251.8799 2695.9528 0.0000 0.0000 52324.9191 -108858.3799 300.7120 -161183.2991 -108505.3637 299.9026 -193.2216 -166.6846 762203.0671 8.6916 8.6979 PRESSURE: 3257000 -175.651 -16.0987 -32.6954 -16.0974 -167.008 -99.826 -32.695 -99.8258 67.9317 GPRESSURE: 3257000 -180.405 -68.7614 -32.1269 -1.87278 -46.9665 -35.9013 42.9212 -118.397 20.6294 PRESSAVG: 3257000 20.1273 60.2773 54.3164 60.2773 39.6709 -25.016 54.3164 -25.016 6.62307 GPRESSAVG: 3257000 20.3225 59.9553 54.813 60.1928 38.6025 -24.2443 55.6172 -24.9889 7.20613 TIMING: 3257000 CPU: 10177.4, 0.00311949/step Wall: 10177.4, 0.00311949/step, 1.51035 hours remaining, 235.226562 MB of memory in use. ENERGY: 3257000 3988.0539 20622.9600 14494.8628 217.7016 -203243.4677 2617.1918 0.0000 0.0000 52293.4327 -109009.2648 300.5311 -161302.6975 -108639.3475 300.1449 -91.5759 -68.9140 762865.7672 22.1404 22.0437 PRESSURE: 3257200 -64.0932 212.2 239.564 212.2 134.524 111.747 239.563 111.747 214.272 GPRESSURE: 3257200 113.242 192.762 298.249 99.5914 1.76232 52.1879 62.9434 222.416 263.27 PRESSAVG: 3257200 -32.7332 16.3019 29.531 16.3019 28.7978 21.9262 29.531 21.9262 -33.0313 GPRESSAVG: 3257200 -33.517 18.8567 29.4578 15.2097 29.6904 20.0395 26.8248 22.0517 -32.4011 TIMING: 3257200 CPU: 10178.1, 0.00312869/step Wall: 10178.1, 0.00312869/step, 1.51464 hours remaining, 235.226562 MB of memory in use. ENERGY: 3257200 3932.9170 20575.1684 14483.5330 252.6121 -202998.6323 2809.7106 0.0000 0.0000 52112.9146 -108831.7766 299.4936 -160944.6913 -108480.3421 299.8428 94.9011 126.0913 763953.1584 -12.3222 -12.0759 PRESSURE: 3257400 118.722 17.2022 -218.142 17.2027 -167.654 -40.4502 -218.142 -40.4501 105.14 GPRESSURE: 3257400 71.0969 38.6998 -280.904 111.003 -46.2617 -10.4153 -137.886 -161.643 107.342 PRESSAVG: 3257400 14.0429 13.9619 43.9018 13.9619 -13.7839 18.4814 43.9018 18.4814 14.8084 GPRESSAVG: 3257400 13.3005 12.829 44.1893 14.0168 -13.0114 18.1711 43.2658 18.0023 14.6225 TIMING: 3257400 CPU: 10178.7, 0.00312334/step Wall: 10178.7, 0.00312334/step, 1.51187 hours remaining, 235.226562 MB of memory in use. ENERGY: 3257400 3936.1970 20506.8447 14387.5998 254.2868 -203205.1279 2874.8808 0.0000 0.0000 52201.6277 -109043.6912 300.0035 -161245.3189 -108676.4722 299.3457 18.7360 44.0592 763830.9481 5.0225 4.9706 PRESSURE: 3257600 55.5278 -86.181 26.9632 -86.1821 165.901 -165.569 26.9642 -165.568 386.094 GPRESSURE: 3257600 110.403 -164.259 57.4343 23.0017 119.59 -102.404 111.529 -123.058 446.352 PRESSAVG: 3257600 -11.2822 7.45622 -13.0259 7.4562 -3.74086 -25.8433 -13.0258 -25.8433 9.66367 GPRESSAVG: 3257600 -10.1037 7.13551 -12.7273 7.92604 -4.83151 -25.0372 -11.4505 -23.3287 9.87437 TIMING: 3257600 CPU: 10179.3, 0.00312984/step Wall: 10179.3, 0.00312984/step, 1.51484 hours remaining, 235.226562 MB of memory in use. ENERGY: 3257600 3944.4963 20486.3791 14418.3733 252.2303 -203085.1475 2895.2042 0.0000 0.0000 52088.6526 -108999.8117 299.3542 -161088.4643 -108628.6510 299.4110 202.5075 225.4485 763790.0512 -1.7865 -1.6869 PRESSURE: 3257800 -61.6741 -75.7601 50.7634 -75.76 192.142 76.2907 50.7634 76.2913 -46.4022 GPRESSURE: 3257800 12.5402 -104.041 5.98108 -34.7394 139.768 104.13 76.4887 -30.7885 13.8776 PRESSAVG: 3257800 -40.2615 18.937 -2.63876 18.937 8.1643 -16.6164 -2.63872 -16.6164 -12.4381 GPRESSAVG: 3257800 -40.6012 17.0341 -3.53201 19.2125 8.55691 -15.2032 -3.4503 -17.8104 -12.3781 TIMING: 3257800 CPU: 10179.9, 0.00311165/step Wall: 10179.9, 0.00311165/step, 1.50587 hours remaining, 235.226562 MB of memory in use. ENERGY: 3257800 3998.6360 20491.8077 14432.0286 238.4048 -202529.8268 2418.7919 0.0000 0.0000 52052.6462 -108897.5116 299.1473 -160950.1578 -108543.8624 299.2881 28.0218 55.3952 763751.7890 -14.8451 -14.8074 PRESSURE: 3258000 -16.3602 31.0264 -76.9519 31.0254 50.4458 -89.7026 -76.9516 -89.7027 24.773 GPRESSURE: 3258000 84.7344 4.6802 -42.3568 105.572 50.2691 -182.663 26.4576 -173.942 -2.45675 PRESSAVG: 3258000 16.2402 13.0363 49.2617 13.0363 -19.9028 -16.2648 49.2616 -16.2648 6.56724 GPRESSAVG: 3258000 15.7436 16.2161 50.4366 12.8905 -20.211 -18.788 48.0582 -16.7072 7.36779 TIMING: 3258000 CPU: 10180.5, 0.00310421/step Wall: 10180.5, 0.00310421/step, 1.50209 hours remaining, 235.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3258000 3976.4060 20589.8888 14513.9876 258.0936 -202877.5750 2607.5018 0.0000 0.0000 52052.3573 -108879.3399 299.1456 -160931.6972 -108509.8568 299.9447 19.6195 44.1823 762188.6488 0.9682 0.9668 PRESSURE: 3258200 239.013 89.6214 52.5063 89.6211 482.121 -49.9847 52.5057 -49.9848 425.147 GPRESSURE: 3258200 390.304 14.3789 97.4162 52.2282 520.41 -117.835 54.0658 -23.5434 333.26 PRESSAVG: 3258200 11.5967 42.0669 29.5674 42.067 8.84749 -20.5488 29.5675 -20.5488 -5.77608 GPRESSAVG: 3258200 11.8659 42.0615 27.8492 42.3209 9.34735 -19.0689 33.2236 -20.5383 -5.96551 TIMING: 3258200 CPU: 10181.2, 0.00312781/step Wall: 10181.2, 0.00312781/step, 1.51334 hours remaining, 235.226562 MB of memory in use. ENERGY: 3258200 3936.6682 20486.0634 14540.7279 241.0938 -203581.0798 3230.9505 0.0000 0.0000 52091.2264 -109054.3496 299.3690 -161145.5760 -108703.1464 299.4722 382.0934 414.6580 760745.8273 4.8894 5.0826 PRESSURE: 3258400 16.9721 130.951 -123.616 130.951 210.497 38.0297 -123.616 38.0293 21.0016 GPRESSURE: 3258400 20.519 163.192 -54.2808 166.347 272.771 99.7957 -111.392 -37.9703 25.7491 PRESSAVG: 3258400 -94.7084 27.2108 59.5377 27.2108 109.846 49.1987 59.5378 49.1987 -4.41524 GPRESSAVG: 3258400 -95.1988 27.8356 59.9302 24.8358 109.788 48.9792 57.5048 49.4362 -4.90541 TIMING: 3258400 CPU: 10181.8, 0.00310905/step Wall: 10181.8, 0.00310905/step, 1.50409 hours remaining, 235.226562 MB of memory in use. ENERGY: 3258400 3938.1379 20559.8551 14514.3528 219.5473 -203260.1052 2821.3384 0.0000 0.0000 52297.2354 -108909.6382 300.5529 -161206.8736 -108535.9904 299.3070 82.8235 106.3462 762876.0958 3.5742 3.2278 PRESSURE: 3258600 5.10938 -212.808 58.6075 -212.808 -298.841 -141.69 58.6074 -141.689 254.883 GPRESSURE: 3258600 21.5793 -303.296 45.4149 -122.587 -172.85 -67.9941 89.0848 -74.0047 198.838 PRESSAVG: 3258600 4.10033 5.00176 45.9329 5.0017 -4.59084 -52.2689 45.9329 -52.269 -19.4218 GPRESSAVG: 3258600 3.47549 4.03736 48.111 6.87222 -3.70485 -51.6701 47.03 -52.9915 -19.4873 TIMING: 3258600 CPU: 10182.4, 0.00311996/step Wall: 10182.4, 0.00311995/step, 1.50919 hours remaining, 235.226562 MB of memory in use. ENERGY: 3258600 4008.7268 20575.2754 14390.0469 253.0908 -202854.2151 2545.7401 0.0000 0.0000 52239.7496 -108841.5856 300.2226 -161081.3352 -108488.8874 299.4777 -12.9494 15.8556 762369.1726 -6.6374 -6.5722 PRESSURE: 3258800 -210.781 65.0318 299.008 65.0317 -315.615 29.5494 299.008 29.5485 -186.67 GPRESSURE: 3258800 -254.367 96.8807 257.118 13.0462 -303.8 123.458 228.519 48.695 -75.4214 PRESSAVG: 3258800 36.8772 -10.0841 0.974307 -10.0841 -6.00136 -51.6086 0.974325 -51.6086 -17.7175 GPRESSAVG: 3258800 37.5392 -9.68977 -0.3687 -12.0596 -7.25174 -52.12 0.416624 -52.5007 -16.7274 TIMING: 3258800 CPU: 10183, 0.00312517/step Wall: 10183, 0.00312517/step, 1.51154 hours remaining, 235.226562 MB of memory in use. ENERGY: 3258800 3998.4114 20381.7911 14454.1379 244.3974 -203150.9148 2629.8257 0.0000 0.0000 52438.2866 -109004.0648 301.3636 -161442.3514 -108638.9763 299.7154 -237.6888 -211.1960 762572.4493 4.3861 4.5200 PRESSURE: 3259000 -69.5043 -195.739 54.3186 -195.738 -96.352 -101.385 54.3187 -101.385 -125.034 GPRESSURE: 3259000 -5.00195 -220.933 24.4103 -64.3442 -14.928 -122.6 122.096 -154.21 -176.485 PRESSAVG: 3259000 50.8855 2.80244 33.7883 2.80243 -60.8241 -22.385 33.7883 -22.385 3.17975 GPRESSAVG: 3259000 49.9227 2.01627 34.613 4.56161 -61.0604 -23.8186 32.2155 -19.8225 3.5382 TIMING: 3259000 CPU: 10183.7, 0.00310452/step Wall: 10183.7, 0.00310452/step, 1.50138 hours remaining, 235.226562 MB of memory in use. ENERGY: 3259000 3968.2078 20513.6481 14427.8737 267.3384 -203072.6900 2511.7525 0.0000 0.0000 52426.1986 -108957.6708 301.2941 -161383.8694 -108577.2997 300.0227 -96.9633 -65.4716 762324.5622 -2.2529 -2.5331 PRESSURE: 3259200 -162.817 -186.84 75.2224 -186.84 146.203 -28.629 75.2216 -28.629 -429.418 GPRESSURE: 3259200 -91.1249 -127.452 107.853 -175.581 72.8412 36.4308 -14.0802 3.00531 -375.039 PRESSAVG: 3259200 11.1017 -38.1681 28.3111 -38.1682 -2.50338 21.8308 28.3111 21.8308 -8.12296 GPRESSAVG: 3259200 11.6945 -38.2392 26.5772 -38.4521 -2.01149 23.4268 30.1995 20.1386 -9.03793 TIMING: 3259200 CPU: 10184.3, 0.00311145/step Wall: 10184.3, 0.00311145/step, 1.50456 hours remaining, 235.226562 MB of memory in use. ENERGY: 3259200 4049.7968 20567.5798 14457.5307 254.6737 -202860.8999 2432.9195 0.0000 0.0000 52153.7859 -108944.6135 299.7285 -161098.3994 -108579.8023 299.6578 -148.6774 -131.1077 764163.6927 0.1584 0.2150 PRESSURE: 3259400 340.467 247.908 37.0552 247.909 248.705 124.479 37.0543 124.48 208.015 GPRESSURE: 3259400 267.391 107.36 79.3539 147.094 241.214 86.5256 93.1251 142.884 331.785 PRESSAVG: 3259400 36.1189 -75.968 8.58765 -75.968 -18.3623 -6.60049 8.5876 -6.60045 22.799 GPRESSAVG: 3259400 36.1697 -76.4054 11.2111 -74.5825 -18.9732 -5.87076 7.59481 -7.74393 23.5792 TIMING: 3259400 CPU: 10184.9, 0.00309766/step Wall: 10184.9, 0.00309766/step, 1.49772 hours remaining, 235.226562 MB of memory in use. ENERGY: 3259400 3944.9040 20603.8977 14515.6354 246.0905 -203592.1429 3005.5749 0.0000 0.0000 52279.4094 -108996.6311 300.4505 -161276.0404 -108626.2494 300.0023 265.7291 280.1299 762087.1078 13.5185 13.5919 PRESSURE: 3259600 -124.666 -39.301 73.0495 -39.3017 173.499 -55.8998 73.0499 -55.8997 220.764 GPRESSURE: 3259600 -68.9024 -50.3757 -8.20445 -33.131 96.7687 13.5534 -103.997 -188.761 315.144 PRESSAVG: 3259600 14.8147 -2.01156 41.5657 -2.01153 -2.62922 -43.2613 41.5657 -43.2613 9.52306 GPRESSAVG: 3259600 15.3676 -2.44156 39.4556 -3.30797 -3.84824 -44.5442 39.951 -42.1844 10.042 TIMING: 3259600 CPU: 10185.5, 0.00310503/step Wall: 10185.5, 0.00310503/step, 1.50111 hours remaining, 235.226562 MB of memory in use. ENERGY: 3259600 4005.5338 20609.3664 14461.8749 245.7538 -203170.6247 2874.0751 0.0000 0.0000 52102.9803 -108871.0404 299.4365 -160974.0207 -108505.5597 299.9510 89.8658 114.3368 763440.6626 7.2362 7.1871 PRESSURE: 3259800 -459.507 -121.58 -1.04393 -121.581 -151.117 -114.831 -1.0445 -114.83 110.634 GPRESSURE: 3259800 -382.301 -87.7583 11.1128 -161.841 -76.5961 -212.17 117.903 -101.85 53.0901 PRESSAVG: 3259800 -63.7274 21.6133 28.8174 21.6133 44.722 -35.7123 28.8174 -35.7122 34.6682 GPRESSAVG: 3259800 -64.3505 22.1507 28.3449 23.8501 46.9578 -35.8478 29.4325 -33.9391 32.9354 TIMING: 3259800 CPU: 10186.1, 0.00310733/step Wall: 10186.1, 0.00310733/step, 1.50205 hours remaining, 235.226562 MB of memory in use. ENERGY: 3259800 3956.6243 20402.8654 14442.3615 247.3279 -203329.7859 2779.3219 0.0000 0.0000 52538.5796 -108962.7054 301.9399 -161501.2851 -108584.2825 300.0984 -166.6632 -135.2691 763426.4955 5.2209 5.1809 PRESSURE: 3260000 -206.992 59.545 -246.949 59.5448 59.2304 -168.319 -246.949 -168.319 84.8381 GPRESSURE: 3260000 -168.395 -24.3118 -229.465 -7.64196 90.7492 -219.896 -217.546 -219.411 104.449 PRESSAVG: 3260000 4.54291 14.0336 -36.1502 14.0336 29.9483 -58.3188 -36.1503 -58.3187 11.124 GPRESSAVG: 3260000 4.61872 14.3436 -34.7624 12.8727 28.2796 -56.0129 -35.4586 -58.797 12.5064 TIMING: 3260000 CPU: 10186.8, 0.0031153/step Wall: 10186.8, 0.0031153/step, 1.50573 hours remaining, 235.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3260000 4025.2487 20517.0181 14441.1606 263.7166 -203270.2927 2778.3597 0.0000 0.0000 52177.0827 -109067.7063 299.8624 -161244.7890 -108695.7163 300.4351 -20.9746 8.9345 762376.6536 15.2051 15.1349 PRESSURE: 3260200 275.244 178.992 -182.736 178.992 -72.418 51.3228 -182.736 51.3232 312.958 GPRESSURE: 3260200 196.553 145.058 -59.7826 219.661 21.9044 69.4469 -250.507 -79.8097 373.763 PRESSAVG: 3260200 -9.45343 5.0933 27.2227 5.09329 47.2001 -47.9732 27.2227 -47.9733 6.40325 GPRESSAVG: 3260200 -9.51205 4.94019 28.3174 4.64875 47.0621 -49.9034 27.4555 -48.9857 7.09918 TIMING: 3260200 CPU: 10187.4, 0.00311501/step Wall: 10187.4, 0.00311501/step, 1.50542 hours remaining, 235.226562 MB of memory in use. ENERGY: 3260200 3955.6913 20539.7970 14591.5956 223.0167 -203479.8414 3038.0337 0.0000 0.0000 52205.2882 -108926.4189 300.0245 -161131.7071 -108559.7375 300.1481 171.9281 197.4067 762401.0667 14.7166 14.8831 LDB: ============= START OF LOAD BALANCING ============== 10199.9 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10199.9 LDB: =============== DONE WITH MIGRATION ================ 10199.9 LDB: ============= START OF LOAD BALANCING ============== 10200.2 LDB: Largest compute 7007 load 0.030767 is 15.8% of average load 0.195176 LDB: Average compute 0.004397 is 2.3% of average load 0.195176 LDB: TIME 10200.2 LOAD: AVG 0.195176 MAX 0.215886 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.562 MB LDB: TIME 10200.2 LOAD: AVG 0.195176 MAX 0.215886 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.562 MB LDB: TIME 10200.2 LOAD: AVG 0.195176 MAX 0.215886 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.562 MB LDB: ============== END OF LOAD BALANCING =============== 10200.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10200.2 PRESSURE: 3260400 -74.3953 -149.062 -84.6473 -149.062 -213.332 83.9335 -84.6463 83.9345 -86.6431 GPRESSURE: 3260400 -101.553 -101.429 -151.254 -93.6732 -150.861 83.6072 -56.0923 -143.946 -52.4938 PRESSAVG: 3260400 -27.7344 19.6064 -1.25456 19.6063 -1.09707 -55.3638 -1.25456 -55.3638 11.2105 GPRESSAVG: 3260400 -27.7076 20.1936 -1.77172 17.389 -0.0606821 -54.8792 -2.96235 -55.3006 9.4217 TIMING: 3260400 CPU: 10188, 0.0031854/step Wall: 10188, 0.0031854/step, 1.53926 hours remaining, 233.847656 MB of memory in use. ENERGY: 3260400 3988.8872 20525.0872 14426.9055 256.6666 -203141.0203 2435.5755 0.0000 0.0000 52500.5780 -109007.3203 301.7215 -161507.8983 -108622.5193 299.8134 -124.7901 -101.6359 762736.9382 -5.8736 -6.1155 PRESSURE: 3260600 -377.327 88.5377 79.2984 88.5382 -332.964 -27.1542 79.2983 -27.1557 -302.519 GPRESSURE: 3260600 -210.976 118.623 71.7993 12.5545 -345.922 65.1935 236.05 28.6174 -388.632 PRESSAVG: 3260600 -8.32073 -27.2887 23.6591 -27.2887 -13.5855 -34.4615 23.6591 -34.4614 -6.55916 GPRESSAVG: 3260600 -8.19141 -27.8464 22.8302 -23.798 -13.5689 -35.4877 25.7456 -35.2176 -6.6077 TIMING: 3260600 CPU: 10188.6, 0.00309084/step Wall: 10188.6, 0.00309084/step, 1.49339 hours remaining, 234.050781 MB of memory in use. ENERGY: 3260600 4062.7750 20702.6090 14512.6113 262.2914 -202923.8464 2475.8448 0.0000 0.0000 51824.2227 -109083.4922 297.8345 -160907.7150 -108725.6143 299.5513 -337.6036 -315.1764 765053.2567 -9.4885 -9.4560 PRESSURE: 3260800 70.1917 69.8705 -4.94185 69.8703 172.826 19.0013 -4.94178 19.0015 32.8468 GPRESSURE: 3260800 84.4841 19.8911 8.48673 -118.061 274.617 57.9983 -56.7063 7.68722 -10.6295 PRESSAVG: 3260800 -25.7564 64.3415 8.64372 64.3416 4.68344 0.808544 8.64371 0.808598 -3.66389 GPRESSAVG: 3260800 -25.9108 64.4154 8.51971 60.9807 3.67388 3.26158 8.32613 3.05757 -2.48649 TIMING: 3260800 CPU: 10189.3, 0.00308141/step Wall: 10189.3, 0.00308141/step, 1.48866 hours remaining, 234.050781 MB of memory in use. ENERGY: 3260800 4001.4491 20528.7313 14479.2793 244.1975 -203152.9143 2811.8479 0.0000 0.0000 51949.2971 -109138.1122 298.5533 -161087.4092 -108785.4805 299.7593 91.9549 116.1571 762959.7404 -8.2456 -8.2411 PRESSURE: 3261000 40.6254 -6.90694 155.641 -6.90747 298.397 55.4194 155.641 55.4197 -97.4563 GPRESSURE: 3261000 56.6015 69.6909 151.928 131.875 314.693 16.1882 54.9992 -22.6008 -33.0939 PRESSAVG: 3261000 -43.2658 23.415 -12.3891 23.415 27.701 14.9419 -12.389 14.9419 12.2343 GPRESSAVG: 3261000 -42.4335 23.4211 -11.2904 23.8778 28.2117 13.494 -13.8389 12.7731 10.5228 TIMING: 3261000 CPU: 10189.9, 0.00308289/step Wall: 10189.9, 0.00308289/step, 1.48921 hours remaining, 234.050781 MB of memory in use. ENERGY: 3261000 3950.8349 20665.1159 14351.3313 243.2638 -203322.5877 2917.8747 0.0000 0.0000 51846.5362 -109347.6308 297.9628 -161194.1670 -108986.2862 299.2445 80.5220 112.7334 763966.7229 -1.1102 -1.2330 PRESSURE: 3261200 -220.016 317.048 18.432 317.049 65.1876 -62.2382 18.4303 -62.2384 -125.763 GPRESSURE: 3261200 -182.556 209.089 23.2061 316.463 88.1337 -28.6591 -45.1701 105.132 -108.459 PRESSAVG: 3261200 -14.9099 38.6274 -15.3467 38.6274 10.5703 19.3171 -15.3467 19.3171 -21.767 GPRESSAVG: 3261200 -15.016 40.3627 -16.7219 38.2836 10.5636 19.2118 -14.2305 18.7199 -21.2934 TIMING: 3261200 CPU: 10190.5, 0.00311227/step Wall: 10190.5, 0.00311227/step, 1.50323 hours remaining, 234.050781 MB of memory in use. ENERGY: 3261200 4001.6961 20300.8795 14531.4947 246.5780 -203224.8802 3009.4641 0.0000 0.0000 51835.7829 -109298.9848 297.9010 -161134.7677 -108937.8888 298.6735 -93.5304 -67.6272 763842.1001 -8.7022 -8.5819 PRESSURE: 3261400 189.317 -182.436 -70.0938 -182.436 88.3762 24.4274 -70.0933 24.4265 430.2 GPRESSURE: 3261400 194.825 -131.171 -127.129 -192.279 168.866 -1.73278 27.1069 -78.1586 425.685 PRESSAVG: 3261400 20.2081 44.1427 40.0164 44.1427 -13.1852 -6.72217 40.0164 -6.72216 3.0666 GPRESSAVG: 3261400 19.4472 41.1121 39.1938 45.8865 -12.5957 -6.57048 39.0913 -7.01227 3.4821 TIMING: 3261400 CPU: 10191.1, 0.00309389/step Wall: 10191.1, 0.00309389/step, 1.49417 hours remaining, 234.050781 MB of memory in use. ENERGY: 3261400 4005.6417 20373.6513 14452.6210 249.9163 -203178.7616 2909.2424 0.0000 0.0000 52043.9994 -109143.6895 299.0976 -161187.6889 -108790.3585 298.6932 235.9644 263.1252 760624.4344 3.3632 3.4445 PRESSURE: 3261600 -112.207 25.6708 -101.469 25.671 -215.901 34.5071 -101.47 34.5069 -96.8738 GPRESSURE: 3261600 -50.9557 66.797 -107.246 -81.1383 -120.213 53.2139 -153.253 34.1242 -166.969 PRESSAVG: 3261600 -12.3523 24.1198 58.2112 24.1198 14.8843 25.0373 58.2112 25.0373 -8.96396 GPRESSAVG: 3261600 -12.7065 29.0262 58.0376 21.6344 14.7251 26.2478 57.5907 24.7737 -8.29015 TIMING: 3261600 CPU: 10191.7, 0.00309483/step Wall: 10191.7, 0.00309483/step, 1.49446 hours remaining, 234.050781 MB of memory in use. ENERGY: 3261600 4012.3491 20326.4036 14411.9549 255.0526 -203180.6090 2649.8508 0.0000 0.0000 52290.5288 -109234.4692 300.5144 -161524.9980 -108865.1792 298.9988 -141.6604 -112.7127 761797.0730 -2.1440 -2.0905 PRESSURE: 3261800 -28.808 161.198 0.928198 161.198 -205.39 -158.279 0.927178 -158.278 -463.519 GPRESSURE: 3261800 -58.5654 116.124 4.96129 76.0049 -116.885 -99.6258 28.8077 -157.483 -416.246 PRESSAVG: 3261800 -30.7617 40.109 21.4053 40.1089 3.7717 5.53225 21.4053 5.53225 7.52158 GPRESSAVG: 3261800 -30.5288 37.3452 22.3537 41.3495 4.02935 5.12446 22.556 5.767 7.25531 TIMING: 3261800 CPU: 10192.4, 0.0031065/step Wall: 10192.4, 0.0031065/step, 1.49992 hours remaining, 234.050781 MB of memory in use. ENERGY: 3261800 4006.6299 20478.2542 14473.7796 221.7438 -202902.1735 2519.4906 0.0000 0.0000 52004.7901 -109197.4854 298.8722 -161202.2755 -108852.1730 299.3900 -232.5721 -197.2322 761405.5816 -6.4895 -6.4147 PRESSURE: 3262000 -6.98431 -15.4501 -149.431 -15.4502 -205.466 43.8866 -149.431 43.8858 138.781 GPRESSURE: 3262000 7.49024 -14.7993 -83.2575 -74.8677 -104.801 36.2907 -266.346 42.075 107.765 PRESSAVG: 3262000 -36.6855 13.2197 -39.3655 13.2197 56.6892 -29.9618 -39.3656 -29.9617 6.42819 GPRESSAVG: 3262000 -37.4809 13.1688 -39.1327 12.5371 56.8565 -28.5109 -38.7849 -29.6401 6.72709 TIMING: 3262000 CPU: 10193, 0.00309154/step Wall: 10193, 0.00309154/step, 1.49252 hours remaining, 234.050781 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: 3262000 3985.9760 20305.2494 14435.4255 232.6496 -202778.6671 2360.8517 0.0000 0.0000 52150.8989 -109307.6159 299.7119 -161458.5148 -108943.9389 299.1609 -24.5565 3.4846 762558.4112 8.8107 8.7009 PRESSURE: 3262200 52.9702 -0.204445 -56.2535 -0.203851 241.383 -3.37797 -56.2546 -3.37828 328.226 GPRESSURE: 3262200 220.558 30.7885 -176.802 -24.8861 190.912 79.2641 -44.5045 29.941 292.939 PRESSAVG: 3262200 15.6761 59.9309 -9.30416 59.9309 -5.70985 -35.9435 -9.30422 -35.9434 -6.91626 GPRESSAVG: 3262200 17.3716 61.663 -11.4684 61.73 -6.90398 -37.8839 -8.82194 -34.9019 -7.35627 TIMING: 3262200 CPU: 10193.6, 0.00310582/step Wall: 10193.6, 0.00310582/step, 1.49925 hours remaining, 234.050781 MB of memory in use. ENERGY: 3262200 4037.0181 20377.5487 14523.5335 229.0593 -203266.4045 2823.3705 0.0000 0.0000 51998.1284 -109277.7461 298.8340 -161275.8745 -108921.5360 299.2412 207.5262 234.8029 760768.3776 1.0166 1.0371 PRESSURE: 3262400 -123.014 -6.81275 -346.723 -6.81311 72.1349 192.341 -346.723 192.341 18.1312 GPRESSURE: 3262400 -204.846 -69.7964 -205.674 82.5353 108.633 147.18 -311.163 97.5047 120.877 PRESSAVG: 3262400 -12.4851 43.3971 15.8544 43.3971 36.0027 9.97438 15.8544 9.97442 -2.58549 GPRESSAVG: 3262400 -14.6619 41.6666 18.1986 42.1219 37.0766 11.2812 15.5397 8.55294 -1.0658 TIMING: 3262400 CPU: 10194.2, 0.00311142/step Wall: 10194.2, 0.00311142/step, 1.50178 hours remaining, 234.050781 MB of memory in use. ENERGY: 3262400 3987.7097 20487.3433 14429.9253 262.9494 -202869.9858 2426.8472 0.0000 0.0000 52249.4747 -109025.7362 300.2784 -161275.2109 -108652.7372 299.7137 -10.9160 8.2215 762662.4850 6.9774 7.1163 PRESSURE: 3262600 -490.204 185.703 -36.8799 185.703 -328.759 3.74051 -36.8791 3.74056 -72.801 GPRESSURE: 3262600 -520.672 147.175 -12.5169 232.121 -283.173 69.0713 79.7007 43.4499 14.8752 PRESSAVG: 3262600 -3.38791 42.4892 -8.77282 42.4893 24.0524 -15.8641 -8.77276 -15.8641 -5.2696 GPRESSAVG: 3262600 -0.982469 42.453 -7.8578 42.8161 23.9502 -16.9088 -8.30199 -16.1665 -7.26805 TIMING: 3262600 CPU: 10194.8, 0.00310947/step Wall: 10194.8, 0.00310947/step, 1.50067 hours remaining, 234.050781 MB of memory in use. ENERGY: 3262600 4024.5881 20558.3737 14403.9248 254.8033 -203109.8239 2465.6551 0.0000 0.0000 51999.8451 -109402.6339 298.8438 -161402.4790 -109049.5819 299.7065 -297.2550 -262.9901 762733.9792 5.1316 5.2332 PRESSURE: 3262800 67.2972 274.472 110.952 274.472 -29.7481 -48.3865 110.952 -48.3859 -318.792 GPRESSURE: 3262800 130.589 262.624 28.0349 194.888 29.3789 -75.4849 -14.0561 -69.0092 -353.195 PRESSAVG: 3262800 -52.397 77.4248 28.2263 77.4249 63.9492 16.1421 28.2264 16.1421 -9.1563 GPRESSAVG: 3262800 -53.1958 76.7904 26.467 76.4379 64.0305 14.9633 28.4288 18.1736 -8.37104 TIMING: 3262800 CPU: 10195.5, 0.00311516/step Wall: 10195.5, 0.00311516/step, 1.50324 hours remaining, 234.050781 MB of memory in use. ENERGY: 3262800 3966.0864 20473.1594 14450.6278 262.4568 -203302.9560 2872.9362 0.0000 0.0000 51965.3287 -109312.3607 298.6455 -161277.6894 -108952.4050 299.0543 -93.7478 -64.4089 761331.6617 0.7986 0.8212 PRESSURE: 3263000 32.4269 -37.1464 122.013 -37.1456 -72.9178 48.2977 122.012 48.2984 281.329 GPRESSURE: 3263000 79.5062 82.7696 96.0552 -116.905 1.31051 64.852 154.4 79.5935 240.304 PRESSAVG: 3263000 -32.5574 76.6352 37.0438 76.6351 3.95512 24.5653 37.0438 24.5653 -0.505401 GPRESSAVG: 3263000 -33.918 74.8199 38.9927 77.8782 5.87858 26.0441 35.1497 21.4717 -1.07008 TIMING: 3263000 CPU: 10196.1, 0.00311978/step Wall: 10196.1, 0.00311978/step, 1.50529 hours remaining, 234.050781 MB of memory in use. ENERGY: 3263000 3992.2515 20610.5254 14437.5293 256.7289 -203065.0822 2656.0747 0.0000 0.0000 51785.8978 -109326.0745 297.6143 -161111.9724 -108970.2331 299.0519 80.2792 107.0402 761062.8134 -9.7026 -9.7032 PRESSURE: 3263200 -237.461 81.3582 246.461 81.3584 -190.544 -4.62512 246.461 -4.62473 -72.6246 GPRESSURE: 3263200 -234.581 -14.7119 233.724 83.7887 -187.291 33.0795 103.528 5.92915 -2.56788 PRESSAVG: 3263200 2.02549 111.832 41.9619 111.832 23.9117 -28.7488 41.9619 -28.7488 -4.28047 GPRESSAVG: 3263200 3.24581 115.396 39.1293 109.259 21.2222 -29.3584 43.6709 -23.1872 -3.36104 TIMING: 3263200 CPU: 10196.7, 0.00313149/step Wall: 10196.7, 0.00313149/step, 1.51077 hours remaining, 234.050781 MB of memory in use. ENERGY: 3263200 3904.7270 20542.6238 14450.2605 251.5568 -202916.3863 2569.4150 0.0000 0.0000 52022.1332 -109175.6699 298.9719 -161197.8031 -108822.5163 299.2090 -166.8766 -141.4801 763011.8197 7.2189 7.0357 PRESSURE: 3263400 96.5025 157.343 43.2323 157.343 243.486 236.915 43.232 236.916 148.756 GPRESSURE: 3263400 83.9613 144.202 119.993 102.608 426.118 258.896 56.3115 194.966 58.9243 PRESSAVG: 3263400 -12.7939 41.4443 -25.7625 41.4443 27.1217 43.1607 -25.7625 43.1607 31.6777 GPRESSAVG: 3263400 -13.6003 39.7095 -24.4788 42.7939 28.8125 41.466 -27.0115 38.6548 31.2766 TIMING: 3263400 CPU: 10197.3, 0.00312313/step Wall: 10197.3, 0.00312313/step, 1.50657 hours remaining, 234.050781 MB of memory in use. ENERGY: 3263400 3986.3417 20560.4849 14473.8146 252.6182 -203117.6405 2656.6791 0.0000 0.0000 51994.8952 -109192.8070 298.8154 -161187.7021 -108838.3439 299.4526 162.9150 189.6677 761353.0428 15.3352 15.4963 PRESSURE: 3263600 -1.13407 203.749 -100.612 203.75 -191.29 -25.8026 -100.613 -25.8023 -15.0876 GPRESSURE: 3263600 128.807 162.684 -81.0521 202.2 -222.251 -93.743 -13.856 34.004 -7.06677 PRESSAVG: 3263600 -23.7268 52.8361 -27.1741 52.8361 -23.461 -4.06053 -27.1742 -4.06049 5.41571 GPRESSAVG: 3263600 -22.4684 54.4806 -27.3604 53.3458 -23.4611 -3.27606 -25.3259 -1.02902 4.6838 TIMING: 3263600 CPU: 10198, 0.00310173/step Wall: 10198, 0.00310173/step, 1.49607 hours remaining, 234.050781 MB of memory in use. ENERGY: 3263600 3970.9249 20556.9571 14505.9645 217.0469 -203214.2870 2691.5119 0.0000 0.0000 52010.8065 -109261.0752 298.9068 -161271.8817 -108893.3453 299.0634 -69.1704 -33.5035 763172.8839 -13.9240 -13.7486 PRESSURE: 3263800 51.8452 -61.7664 184.085 -61.7662 -42.2208 62.1872 184.085 62.1867 27.9653 GPRESSURE: 3263800 94.1474 -64.3774 192.095 -137.487 -15.1954 81.2012 231.624 94.2303 34.6257 PRESSAVG: 3263800 -30.6683 -27.8167 -8.35099 -27.8167 51.6329 12.9784 -8.35097 12.9785 24.4362 GPRESSAVG: 3263800 -32.6848 -29.272 -8.76803 -26.086 52.4021 14.0075 -8.94272 11.7999 25.5702 TIMING: 3263800 CPU: 10198.6, 0.00312277/step Wall: 10198.6, 0.00312277/step, 1.50604 hours remaining, 234.050781 MB of memory in use. ENERGY: 3263800 3924.3190 20481.1024 14481.7386 247.6393 -202810.7593 2388.8371 0.0000 0.0000 51916.3663 -109370.7567 298.3641 -161287.1229 -109012.0689 299.1636 12.5299 37.8592 763194.6467 15.1336 15.0959 PRESSURE: 3264000 -75.472 -210.172 199.76 -210.172 267.954 165.043 199.759 165.044 -110.236 GPRESSURE: 3264000 -13.5649 -218.994 176.03 -282.705 256.217 183.324 159.896 164.304 -59.0062 PRESSAVG: 3264000 -53.6057 -9.64306 9.86912 -9.64306 58.8679 4.27945 9.86912 4.27936 1.48061 GPRESSAVG: 3264000 -52.9211 -9.42044 10.9847 -12.1688 57.618 3.20791 7.79851 6.54821 1.67355 TIMING: 3264000 CPU: 10199.2, 0.00315195/step Wall: 10199.2, 0.00315195/step, 1.51994 hours remaining, 234.050781 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: 3264000 3939.8199 20305.0428 14449.6807 246.2882 -202793.9954 2547.8503 0.0000 0.0000 52261.6509 -109043.6628 300.3484 -161305.3136 -108675.3761 299.2221 27.4156 61.2152 763100.6769 2.2476 2.1235 PRESSURE: 3264200 -37.4911 4.01782 140.135 4.01819 -139.758 -42.8648 140.135 -42.8638 159.823 GPRESSURE: 3264200 -35.1284 19.1036 26.1549 16.4521 -49.3325 59.6597 113.083 -35.2089 172.432 PRESSAVG: 3264200 13.8472 10.5249 7.34761 10.5249 27.6204 -1.61695 7.34771 -1.61703 -0.306773 GPRESSAVG: 3264200 13.5436 10.8797 6.50152 12.1768 28.8768 -0.455456 9.25049 -6.40751 -0.659267 TIMING: 3264200 CPU: 10199.8, 0.00312285/step Wall: 10199.8, 0.00312285/step, 1.50573 hours remaining, 234.050781 MB of memory in use. ENERGY: 3264200 3886.1981 20803.4211 14486.9949 240.0704 -203309.7740 2522.9604 0.0000 0.0000 52348.5440 -109021.5850 300.8478 -161370.1290 -108663.2692 299.6598 -5.8088 29.3237 761916.9726 13.7203 13.9204 LDB: ============= START OF LOAD BALANCING ============== 10212.3 LDB: ============== END OF LOAD BALANCING =============== 10212.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10212.3 LDB: ============= START OF LOAD BALANCING ============== 10212.6 LDB: Largest compute 6996 load 0.029047 is 14.9% of average load 0.195173 LDB: Average compute 0.004380 is 2.2% of average load 0.195173 LDB: TIME 10212.6 LOAD: AVG 0.195173 MAX 0.211671 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.336 MB LDB: TIME 10212.6 LOAD: AVG 0.195173 MAX 0.211671 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.543 MB LDB: TIME 10212.6 LOAD: AVG 0.195173 MAX 0.211671 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.543 MB LDB: ============== END OF LOAD BALANCING =============== 10212.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10212.6 PRESSURE: 3264400 27.3148 -101.359 -74.1045 -101.359 210.527 207.547 -74.103 207.548 161.313 GPRESSURE: 3264400 88.5205 -143.912 -43.159 11.8404 156.632 146.134 -42.5182 164.027 241.304 PRESSAVG: 3264400 3.86027 -3.65421 31.5599 -3.65419 11.7238 19.7774 31.5599 19.7773 17.5508 GPRESSAVG: 3264400 5.14358 -4.87329 31.2614 -2.35693 10.5097 20.1767 32.5543 21.3765 17.5699 TIMING: 3264400 CPU: 10200.5, 0.00319088/step Wall: 10200.5, 0.00319088/step, 1.53836 hours remaining, 235.132812 MB of memory in use. ENERGY: 3264400 3943.1292 20455.6421 14445.0734 216.5280 -202706.8545 2598.6188 0.0000 0.0000 52053.8617 -108994.0014 299.1543 -161047.8631 -108632.6065 299.4589 133.0514 162.1521 763201.2285 11.0450 11.0744 PRESSURE: 3264600 -157.806 -126.764 4.58595 -126.764 -313.772 -159.77 4.58615 -159.769 -380.675 GPRESSURE: 3264600 -124.302 -131.173 -36.9198 -66.0743 -285.376 -167.109 -8.33741 -93.7079 -341.19 PRESSAVG: 3264600 -20.5142 -31.4581 -12.9929 -31.4581 38.6532 -1.98197 -12.9929 -1.982 -3.50586 GPRESSAVG: 3264600 -21.1792 -30.5254 -12.1676 -30.0979 39.8117 -2.09455 -12.9297 -1.50406 -3.04326 TIMING: 3264600 CPU: 10201.1, 0.00312411/step Wall: 10201.1, 0.00312411/step, 1.50599 hours remaining, 235.132812 MB of memory in use. ENERGY: 3264600 4074.1476 20459.6819 14449.2066 248.9570 -202331.3898 2195.0019 0.0000 0.0000 52079.2239 -108825.1709 299.3000 -160904.3947 -108471.6731 299.7292 -284.0843 -250.2892 762269.1651 4.8777 5.1964 PRESSURE: 3264800 -356.387 8.99659 163.424 8.99584 -404.735 247.017 163.423 247.017 -10.1698 GPRESSURE: 3264800 -278.696 66.7545 113.97 15.3841 -429.218 208.838 113.675 169.347 41.2076 PRESSAVG: 3264800 -37.5919 -8.65159 -9.36372 -8.65162 73.6429 20.6155 -9.3637 20.6154 12.2243 GPRESSAVG: 3264800 -36.4529 -8.27294 -9.71443 -8.85296 72.2849 20.7947 -11.4901 18.0973 12.5768 TIMING: 3264800 CPU: 10201.7, 0.00313375/step Wall: 10201.7, 0.00313375/step, 1.51047 hours remaining, 235.132812 MB of memory in use. ENERGY: 3264800 4058.5652 20524.5857 14417.4895 267.4360 -202395.2990 2429.5909 0.0000 0.0000 52122.5433 -108575.0882 299.5490 -160697.6316 -108208.6441 300.2881 -257.0974 -222.2354 764025.8722 16.0918 16.1363 PRESSURE: 3265000 179.339 -130.373 -221.862 -130.373 199.569 -85.9977 -221.862 -85.9975 25.8443 GPRESSURE: 3265000 209.056 -88.0137 -173.833 -172.298 253.555 -58.9562 -116.237 -52.1712 38.8458 PRESSAVG: 3265000 -27.1236 2.29911 -15.3667 2.29914 53.7967 9.25059 -15.3666 9.25074 9.25655 GPRESSAVG: 3265000 -28.2196 3.17628 -14.1877 -0.824058 55.1335 9.51166 -17.0575 12.8034 8.75719 TIMING: 3265000 CPU: 10202.4, 0.00310944/step Wall: 10202.4, 0.00310944/step, 1.49858 hours remaining, 235.132812 MB of memory in use. ENERGY: 3265000 3875.5343 20479.2085 14473.2652 234.0924 -202938.5644 2748.5454 0.0000 0.0000 52501.3344 -108626.5842 301.7259 -161127.9186 -108265.8340 300.7878 134.9175 167.1523 761566.9421 11.9765 11.8904 PRESSURE: 3265200 -209.561 132.649 76.0623 132.648 104.89 -23.8659 76.062 -23.8661 -29.7831 GPRESSURE: 3265200 -116.724 163.597 149.378 129.073 160.421 -76.5237 83.8293 -123.903 -87.294 PRESSAVG: 3265200 -54.5303 -7.83309 24.3876 -7.83313 63.386 17.1739 24.3876 17.1739 23.2463 GPRESSAVG: 3265200 -52.9783 -7.55039 22.79 -6.89424 62.9528 16.7436 28.0722 15.4733 21.8162 TIMING: 3265200 CPU: 10203, 0.00312031/step Wall: 10203, 0.00312031/step, 1.50364 hours remaining, 235.132812 MB of memory in use. ENERGY: 3265200 3977.7827 20543.4349 14487.0664 246.3232 -202557.0250 2547.1455 0.0000 0.0000 52137.3173 -108617.9551 299.6339 -160755.2724 -108254.3493 300.3664 -44.8182 -14.5322 761903.8894 10.7007 10.5969 PRESSURE: 3265400 -135.622 -55.4146 75.5143 -55.4148 -22.9715 -53.9475 75.5142 -53.9472 27.2206 GPRESSURE: 3265400 -163.995 58.2741 48.3154 -71.8748 37.4298 -7.42729 106.809 -9.51637 83.796 PRESSAVG: 3265400 -22.489 -19.3886 -6.7147 -19.3885 30.1213 -54.972 -6.7147 -54.972 8.23675 GPRESSAVG: 3265400 -23.4048 -19.1365 -5.22138 -20.021 29.623 -55.4841 -7.10737 -54.5528 10.2094 TIMING: 3265400 CPU: 10203.6, 0.00315003/step Wall: 10203.6, 0.00315003/step, 1.51779 hours remaining, 235.132812 MB of memory in use. ENERGY: 3265400 4028.3362 20437.8091 14507.8076 247.7076 -202441.2050 2293.6459 0.0000 0.0000 52298.0990 -108627.7996 300.5579 -160925.8987 -108254.4857 300.1238 -43.7910 -14.2565 763647.8399 5.2897 5.4759 PRESSURE: 3265600 -473.681 -20.9157 17.8725 -20.9151 -373.935 -102.929 17.8723 -102.928 -117.748 GPRESSURE: 3265600 -453.291 5.5243 -28.2184 -81.3217 -294.543 -54.4588 -45.9056 -71.4699 -140.038 PRESSAVG: 3265600 52.6958 -16.0768 -11.8768 -16.0768 -32.0481 -43.4972 -11.8768 -43.4972 -7.40641 GPRESSAVG: 3265600 52.9256 -16.4382 -12.6886 -15.4979 -31.792 -42.6934 -14.3191 -42.0133 -8.32993 TIMING: 3265600 CPU: 10204.2, 0.00312778/step Wall: 10204.2, 0.00312778/step, 1.50689 hours remaining, 235.132812 MB of memory in use. ENERGY: 3265600 4008.1886 20566.7718 14473.8357 243.4633 -202492.3509 2379.9481 0.0000 0.0000 52184.9371 -108635.2064 299.9076 -160820.1435 -108278.7566 300.1560 -321.7881 -295.9572 764164.9254 4.4138 4.2679 PRESSURE: 3265800 -140.185 -64.9767 -75.526 -64.9778 -93.3017 -128.909 -75.5263 -128.91 -32.822 GPRESSURE: 3265800 -145.305 -100.495 -74.3105 80.0173 -41.7378 -148.866 -34.6248 -91.3745 9.59555 PRESSAVG: 3265800 -64.8918 -5.20457 -30.1735 -5.20459 4.86441 -17.8949 -30.1735 -17.8949 5.27859 GPRESSAVG: 3265800 -64.7042 -4.26697 -29.509 -4.61835 4.84001 -18.9878 -28.3453 -18.9928 4.73563 TIMING: 3265800 CPU: 10204.9, 0.00312263/step Wall: 10204.9, 0.00312263/step, 1.50424 hours remaining, 235.132812 MB of memory in use. ENERGY: 3265800 4011.3031 20291.0742 14366.3754 238.5189 -202836.4466 2521.2211 0.0000 0.0000 52414.1089 -108993.8451 301.2246 -161407.9540 -108622.2959 299.7204 -88.7696 -59.1490 761701.6616 -18.2496 -18.3762 PRESSURE: 3266000 -240.346 6.56806 -8.28326 6.56919 -50.4965 138.92 -8.28422 138.919 -347.005 GPRESSURE: 3266000 -81.4051 2.07535 -63.8606 -1.44616 -60.6008 148.898 63.0104 2.00933 -390.931 PRESSAVG: 3266000 -39.2686 11.2348 -11.8987 11.2348 21.2728 -53.7142 -11.8987 -53.7142 10.0387 GPRESSAVG: 3266000 -38.7474 9.63819 -12.9543 11.4634 20.9396 -52.9556 -10.2612 -54.2835 10.8828 TIMING: 3266000 CPU: 10205.5, 0.00311997/step Wall: 10205.5, 0.00311997/step, 1.50278 hours remaining, 235.132812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3266000 4007.5247 20445.4829 14508.8383 285.6881 -202726.2057 2490.9921 0.0000 0.0000 52251.5542 -108736.1255 300.2904 -160987.6796 -108370.1443 299.6715 -212.6158 -177.6457 763169.4618 -2.6524 -2.3083 PRESSURE: 3266200 -101.795 10.3069 150.858 10.3077 -25.8278 127.907 150.858 127.907 -217.765 GPRESSURE: 3266200 -122.932 -72.3479 150.96 11.2737 7.15786 190.559 181.812 108.976 -149.47 PRESSAVG: 3266200 -34.6963 -3.25987 -53.1369 -3.25993 25.6306 47.1102 -53.137 47.1102 -0.434864 GPRESSAVG: 3266200 -34.5197 -1.12851 -53.2757 -5.69371 26.1643 45.9719 -53.1902 46.8286 -1.2305 TIMING: 3266200 CPU: 10206.1, 0.003098/step Wall: 10206.1, 0.003098/step, 1.49203 hours remaining, 235.132812 MB of memory in use. ENERGY: 3266200 3970.9649 20668.6493 14503.4554 245.7692 -203139.0118 2770.3480 0.0000 0.0000 52178.9620 -108800.8630 299.8732 -160979.8250 -108450.0598 300.0678 -115.1295 -88.4146 763143.3203 -3.1669 -3.1953 PRESSURE: 3266400 315.479 -106.511 -121.749 -106.511 89.0961 -41.6073 -121.749 -41.6078 509.015 GPRESSURE: 3266400 429.288 -27.4134 -149.311 -116 85.6399 -114.092 -137.846 -146.674 478.511 PRESSAVG: 3266400 -42.2514 7.19109 -50.7695 7.19105 28.8378 -36.8519 -50.7695 -36.8519 -8.2057 GPRESSAVG: 3266400 -43.6027 5.00534 -50.5695 9.57287 29.3383 -36.7633 -52.0946 -35.4273 -7.36774 TIMING: 3266400 CPU: 10206.7, 0.00313389/step Wall: 10206.7, 0.00313389/step, 1.50914 hours remaining, 235.132812 MB of memory in use. ENERGY: 3266400 3908.0978 20588.6879 14428.6229 246.3576 -203060.9599 2666.9346 0.0000 0.0000 52258.0527 -108964.2065 300.3277 -161222.2592 -108608.5565 300.0550 304.5300 331.1462 762629.0032 -7.2064 -7.2107 PRESSURE: 3266600 -441.006 -6.20704 20.6765 -6.20787 -40.7675 107.418 20.6761 107.418 8.32782 GPRESSURE: 3266600 -386.122 26.9869 53.9607 -129.589 19.4182 186.147 -98.1464 18.0734 -28.0883 PRESSAVG: 3266600 -55.0907 -12.7302 23.9758 -12.7302 15.1954 11.7211 23.9757 11.7212 4.98391 GPRESSAVG: 3266600 -53.9908 -12.5101 23.498 -12.7508 14.8989 12.2338 24.7301 12.6938 4.15924 TIMING: 3266600 CPU: 10207.4, 0.00314334/step Wall: 10207.4, 0.00314334/step, 1.51352 hours remaining, 235.132812 MB of memory in use. ENERGY: 3266600 3970.4288 20457.8166 14502.4280 240.6837 -203067.2259 2874.6023 0.0000 0.0000 51989.7991 -109031.4674 298.7861 -161021.2665 -108681.4560 299.7210 -157.8152 -131.5973 764647.6976 -11.6371 -11.6442 PRESSURE: 3266800 -275.508 38.601 -65.3971 38.6005 -121.443 -44.4508 -65.3968 -44.4518 -142.144 GPRESSURE: 3266800 -287.447 57.4669 -78.1203 8.67846 -12.0019 5.78831 -90.15 37.2821 -152.637 PRESSAVG: 3266800 -26.8577 20.3184 -20.4747 20.3185 68.2816 10.3643 -20.4747 10.3643 16.522 GPRESSAVG: 3266800 -28 20.013 -20.3398 21.5105 68.9445 9.77249 -22.2611 8.11972 17.1189 TIMING: 3266800 CPU: 10208, 0.00311136/step Wall: 10208, 0.00311136/step, 1.49795 hours remaining, 235.132812 MB of memory in use. ENERGY: 3266800 3986.9391 20516.6060 14416.6516 244.3450 -202807.7466 2603.1093 0.0000 0.0000 52089.2073 -108950.8883 299.3574 -161040.0957 -108593.3154 299.6552 -179.6982 -150.6950 762934.3370 19.3153 19.3545 PRESSURE: 3267000 -180.227 23.7426 154.195 23.7418 -19.9656 -116.887 154.196 -116.887 -300.389 GPRESSURE: 3267000 -116.414 -9.82504 81.2832 65.9586 -32.824 -155.471 108.362 -120.986 -261.344 PRESSAVG: 3267000 -44.1175 85.6365 -48.4318 85.6365 40.7343 -0.628587 -48.4318 -0.628667 6.76213 GPRESSAVG: 3267000 -44.0094 85.0086 -49.808 84.7793 39.5613 -0.377668 -48.9517 -0.169328 7.25335 TIMING: 3267000 CPU: 10208.6, 0.00311112/step Wall: 10208.6, 0.00311112/step, 1.49766 hours remaining, 235.132812 MB of memory in use. ENERGY: 3267000 4082.7857 20507.3802 14412.3476 234.2567 -202909.3940 2564.3247 0.0000 0.0000 52089.6797 -109018.6194 299.3601 -161108.2991 -108674.5519 299.8491 -166.8607 -136.8605 764385.1987 1.1263 0.9351 PRESSURE: 3267200 -1.98323 -187.196 -260.596 -187.196 276.388 23.7384 -260.596 23.7389 -259.708 GPRESSURE: 3267200 15.3268 -128.65 -198.549 -214.739 321.884 60.2217 -330.43 -0.936865 -219.644 PRESSAVG: 3267200 -67.0485 25.1401 -75.2609 25.1401 116.72 6.49588 -75.261 6.49587 -7.61674 GPRESSAVG: 3267200 -66.5004 27.7859 -75.2628 24.5496 115.558 4.3192 -74.8093 8.84978 -7.05003 TIMING: 3267200 CPU: 10209.2, 0.00312845/step Wall: 10209.2, 0.00312845/step, 1.50583 hours remaining, 235.132812 MB of memory in use. ENERGY: 3267200 3941.0807 20396.3204 14457.8765 259.3072 -203177.0651 2936.6700 0.0000 0.0000 52085.4988 -109100.3116 299.3361 -161185.8104 -108731.1086 299.1225 4.8991 39.1891 763597.5781 14.0183 14.0026 PRESSURE: 3267400 -98.3812 332.489 89.152 332.488 21.6242 75.6979 89.1528 75.6987 -159.787 GPRESSURE: 3267400 14.7622 322.233 248.233 249.546 -0.0166069 119.254 -55.8876 -95.9778 -171.154 PRESSAVG: 3267400 -52.9094 21.45 -23.0189 21.4501 43.2214 -26.5713 -23.0189 -26.5712 11.3707 GPRESSAVG: 3267400 -53.8694 19.5422 -21.6788 21.8914 43.8839 -25.4206 -23.7375 -26.9173 12.2806 TIMING: 3267400 CPU: 10209.9, 0.00312457/step Wall: 10209.9, 0.00312457/step, 1.50379 hours remaining, 235.132812 MB of memory in use. ENERGY: 3267400 4047.8053 20517.4098 14409.2263 230.6960 -203347.0960 2861.8577 0.0000 0.0000 51853.4810 -109426.6200 298.0027 -161280.1010 -109072.6375 300.0573 -78.8480 -52.1360 763235.9463 0.5609 0.7651 PRESSURE: 3267600 270.867 61.8334 -228.416 61.8332 264.637 -143.233 -228.416 -143.234 91.8068 GPRESSURE: 3267600 246.431 83.341 -160.214 25.4135 288.582 -138.434 -20.934 -179.022 158.477 PRESSAVG: 3267600 -71.2058 46.5711 3.14117 46.5711 49.7322 11.3137 3.14107 11.3138 -11.9889 GPRESSAVG: 3267600 -71.3312 46.3498 2.97679 45.4496 51.0028 12.0706 5.43007 10.1895 -12.8641 TIMING: 3267600 CPU: 10210.5, 0.00313296/step Wall: 10210.5, 0.00313296/step, 1.50765 hours remaining, 235.132812 MB of memory in use. ENERGY: 3267600 3970.4868 20469.9853 14449.2090 252.0060 -203274.4173 2900.8932 0.0000 0.0000 51796.3294 -109435.5077 297.6742 -161231.8370 -109080.6737 298.9245 209.1036 231.1634 763466.3449 -11.1542 -11.0642 PRESSURE: 3267800 -72.4463 -171.453 283.895 -171.453 -326.556 327.535 283.895 327.535 -71.2767 GPRESSURE: 3267800 -55.3802 -174.248 264.6 -306.864 -291.091 317.249 177.57 184.336 -57.1559 PRESSAVG: 3267800 -2.27188 -15.6103 1.10963 -15.6103 15.5478 44.7678 1.10957 44.7678 7.003 GPRESSAVG: 3267800 -2.8531 -14.0913 1.18236 -15.774 16.4551 44.5444 0.605629 42.4572 6.59788 TIMING: 3267800 CPU: 10211.1, 0.00312997/step Wall: 10211.1, 0.00312997/step, 1.50604 hours remaining, 235.132812 MB of memory in use. ENERGY: 3267800 4065.5703 20306.6955 14452.1108 225.5999 -203368.1079 2627.8252 0.0000 0.0000 51875.9918 -109814.3145 298.1320 -161690.3063 -109451.4897 298.0192 -156.7596 -134.5423 762215.1299 6.7596 6.7333 PRESSURE: 3268000 -473.924 138.244 -109.251 138.244 -128.702 168.586 -109.251 168.586 70.857 GPRESSURE: 3268000 -435.642 54.6335 -101.004 108.342 -52.587 214.177 -2.49492 67.5392 31.2027 PRESSAVG: 3268000 -0.193337 12.8171 -8.52698 12.8171 59.0965 -54.2505 -8.52693 -54.2504 5.2384 GPRESSAVG: 3268000 1.63185 12.3389 -9.83987 14.0378 58.5949 -53.4132 -8.24751 -52.8851 4.02597 TIMING: 3268000 CPU: 10211.7, 0.00315117/step Wall: 10211.7, 0.00315117/step, 1.51606 hours remaining, 235.132812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3268000 3987.0706 20320.7347 14472.2992 240.5784 -203467.0339 2901.1175 0.0000 0.0000 52046.1445 -109499.0891 299.1099 -161545.2336 -109141.1217 298.1998 -177.2565 -152.3422 764539.5120 21.3805 21.4176 PRESSURE: 3268200 322.737 92.2797 -11.3438 92.2807 485.568 -272.068 -11.3432 -272.068 484.161 GPRESSURE: 3268200 341.184 55.1376 16.5282 71.0732 475.02 -169.844 -75.229 -263.378 551.364 PRESSAVG: 3268200 -49.7253 32.3166 9.60419 32.3165 30.4543 -43.359 9.60423 -43.359 5.12525 GPRESSAVG: 3268200 -49.3772 31.305 11.2287 32.8572 30.6217 -42.7195 7.73386 -42.3753 4.31152 TIMING: 3268200 CPU: 10212.4, 0.00312633/step Wall: 10212.4, 0.00312633/step, 1.50394 hours remaining, 235.132812 MB of memory in use. ENERGY: 3268200 4040.1848 20479.5150 14415.2012 233.4301 -203454.4955 3083.9974 0.0000 0.0000 51909.8031 -109292.3638 298.3264 -161202.1669 -108950.0467 298.6831 430.8222 455.8562 761549.2305 -4.7152 -4.8147 LDB: ============= START OF LOAD BALANCING ============== 10224.8 LDB: ============== END OF LOAD BALANCING =============== 10224.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10224.8 LDB: ============= START OF LOAD BALANCING ============== 10225.2 LDB: Largest compute 6998 load 0.031021 is 15.9% of average load 0.195167 LDB: Average compute 0.004371 is 2.2% of average load 0.195167 LDB: TIME 10225.2 LOAD: AVG 0.195167 MAX 0.218436 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.539 MB LDB: TIME 10225.2 LOAD: AVG 0.195167 MAX 0.218436 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.543 MB LDB: TIME 10225.2 LOAD: AVG 0.195167 MAX 0.215654 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.543 MB LDB: ============== END OF LOAD BALANCING =============== 10225.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10225.2 PRESSURE: 3268400 -25.4543 -182.435 29.1494 -182.436 -316.645 50.8638 29.1488 50.8637 -292.179 GPRESSURE: 3268400 -63.0059 -211.18 56.4435 -79.9908 -206.577 -6.43578 -47.2781 277.879 -250.884 PRESSAVG: 3268400 -6.37375 -32.6018 7.60714 -32.6017 19.2038 -26.4512 7.60709 -26.4512 -20.1442 GPRESSAVG: 3268400 -7.89948 -33.8362 8.10701 -31.2065 18.9991 -27.1583 7.71838 -25.7993 -18.2478 TIMING: 3268400 CPU: 10213, 0.00318383/step Wall: 10213, 0.00318383/step, 1.53142 hours remaining, 234.050781 MB of memory in use. ENERGY: 3268400 3972.7987 20376.8150 14438.5017 240.1672 -203203.4517 2751.5263 0.0000 0.0000 52117.5522 -109306.0904 299.5203 -161423.6427 -108946.3485 299.0502 -211.4259 -173.4890 762991.1570 -2.4381 -2.3828 PRESSURE: 3268600 68.3792 -24.9247 -137.58 -24.9243 -3.22218 -117.984 -137.58 -117.983 -206.181 GPRESSURE: 3268600 79.1202 -15.8385 -173.205 97.4384 121.155 -51.5657 104.765 -134.06 -226.05 PRESSAVG: 3268600 -18.4757 16.1503 -22.8711 16.1503 -8.21008 -36.537 -22.8711 -36.5371 -23.1346 GPRESSAVG: 3268600 -16.5678 16.6003 -25.1608 15.5854 -8.91048 -36.9712 -19.6512 -34.6971 -24.3961 TIMING: 3268600 CPU: 10213.6, 0.00312284/step Wall: 10213.6, 0.00312284/step, 1.50191 hours remaining, 234.050781 MB of memory in use. ENERGY: 3268600 3979.3116 20277.8025 14485.0579 260.6021 -202860.6031 2516.9104 0.0000 0.0000 52084.8892 -109256.0294 299.3326 -161340.9185 -108889.1748 298.7799 -47.0081 -8.5918 762928.8847 -16.6068 -16.6248 PRESSURE: 3268800 166.798 47.7812 -115.692 47.7812 67.7909 -213.088 -115.691 -213.087 -277.614 GPRESSURE: 3268800 91.4832 70.53 -207.977 4.71882 148.635 -205.4 -51.6131 -219.648 -190.937 PRESSAVG: 3268800 7.42343 87.2266 -21.2251 87.2266 -26.3133 -5.49378 -21.2251 -5.49377 -0.0439537 GPRESSAVG: 3268800 6.61025 89.8272 -20.6214 86.7264 -26.1145 -4.96328 -22.0809 -8.10083 0.340469 TIMING: 3268800 CPU: 10214.2, 0.00312561/step Wall: 10214.2, 0.0031256/step, 1.50307 hours remaining, 234.050781 MB of memory in use. ENERGY: 3268800 3955.4040 20518.7687 14590.9762 221.6183 -202942.4301 2581.4402 0.0000 0.0000 51677.5571 -109396.6656 296.9916 -161074.2227 -109057.2473 298.5802 -14.3418 16.3937 762672.0231 -6.3113 -6.3879 PRESSURE: 3269000 137.983 -41.2456 54.1632 -41.2454 -221.122 -30.285 54.1631 -30.2845 187.789 GPRESSURE: 3269000 137.356 -38.103 82.2297 20.2348 -41.5269 -12.1201 87.9597 12.0676 87.5011 PRESSAVG: 3269000 -13.7702 48.068 -39.4166 48.0679 6.86462 -31.1246 -39.4166 -31.1246 -9.37512 GPRESSAVG: 3269000 -13.8648 45.89 -39.0128 48.6398 7.66721 -31.7482 -40.8324 -30.0535 -9.65599 TIMING: 3269000 CPU: 10214.9, 0.00312379/step Wall: 10214.9, 0.00312379/step, 1.50202 hours remaining, 234.050781 MB of memory in use. ENERGY: 3269000 3977.5674 20496.0490 14499.2186 262.5749 -203737.2951 2835.6383 0.0000 0.0000 52224.3556 -109441.8914 300.1341 -161666.2469 -109078.3723 299.1069 34.8835 61.1100 763129.7060 -5.4269 -5.2845 PRESSURE: 3269200 -214.373 -168.428 86.8682 -168.428 -39.0647 49.4088 86.8687 49.4073 134.916 GPRESSURE: 3269200 -174.6 -88.9333 129.876 -125.012 -28.1452 50.9726 8.60037 98.2676 164.139 PRESSAVG: 3269200 61.321 29.5015 -1.37883 29.5015 -72.7067 4.10814 -1.37878 4.10801 18.3195 GPRESSAVG: 3269200 61.6871 31.6695 -1.66736 29.0787 -72.8092 5.09853 0.520478 2.11967 18.0792 TIMING: 3269200 CPU: 10215.5, 0.00310777/step Wall: 10215.5, 0.00310777/step, 1.49415 hours remaining, 234.050781 MB of memory in use. ENERGY: 3269200 4020.8235 20663.4840 14536.9775 251.4326 -203653.6358 2917.2503 0.0000 0.0000 51705.4817 -109558.1862 297.1521 -161263.6679 -109198.5236 298.5507 -39.5074 -12.8686 764154.2160 2.3112 2.3190 PRESSURE: 3269400 -24.2157 107.027 203.566 107.026 18.3248 -118.02 203.566 -118.02 119.706 GPRESSURE: 3269400 -59.4939 150.205 142.511 31.8604 90.1557 -121.392 381.553 -144.767 167.24 PRESSAVG: 3269400 23.1637 -4.78244 33.6528 -4.78239 -14.5477 -1.77959 33.6529 -1.77962 -6.84788 GPRESSAVG: 3269400 21.4717 -6.14244 34.3529 -5.2752 -14.6466 -0.742554 29.4273 -2.13368 -4.76376 TIMING: 3269400 CPU: 10216.1, 0.00311565/step Wall: 10216.1, 0.00311565/step, 1.49776 hours remaining, 234.050781 MB of memory in use. ENERGY: 3269400 3969.9805 20601.8339 14542.2859 241.3665 -203876.8264 2935.2469 0.0000 0.0000 52316.0264 -109270.0864 300.6609 -161586.1128 -108912.8767 299.1372 37.9385 65.9673 762240.1360 0.5894 0.6871 PRESSURE: 3269600 12.2244 51.522 -52.5196 51.5211 -148.221 194.266 -52.5191 194.266 -282.141 GPRESSURE: 3269600 7.57016 49.047 -26.8582 98.053 -97.9631 220.041 -3.92403 178.065 -238.58 PRESSAVG: 3269600 35.1315 -22.1126 -18.4759 -22.1126 -18.2425 -18.3821 -18.4759 -18.3821 -20.0256 GPRESSAVG: 3269600 34.9575 -21.7299 -20.1776 -20.3872 -17.8583 -19.0841 -14.1684 -16.7548 -20.9116 TIMING: 3269600 CPU: 10216.7, 0.00312598/step Wall: 10216.7, 0.00312598/step, 1.50255 hours remaining, 234.050781 MB of memory in use. ENERGY: 3269600 4042.2826 20459.4582 14509.0679 238.4241 -203563.4986 2898.7127 0.0000 0.0000 52024.0790 -109391.4741 298.9831 -161415.5531 -109030.4160 299.6772 -139.3793 -109.6576 763163.5514 -1.0455 -1.2708 PRESSURE: 3269800 276.234 85.0326 309.447 85.0326 321.751 233.952 309.447 233.952 255.62 GPRESSURE: 3269800 262.806 -38.3894 291.817 86.8534 360.837 184.605 203.805 215.206 320.942 PRESSAVG: 3269800 78.3858 -12.4173 76.9764 -12.4173 -42.4748 25.4607 76.9765 25.4607 21.7136 GPRESSAVG: 3269800 79.7537 -12.6041 77.6901 -13.0773 -42.635 25.0541 73.7888 25.0293 20.7304 TIMING: 3269800 CPU: 10217.4, 0.00312812/step Wall: 10217.4, 0.00312812/step, 1.50341 hours remaining, 234.050781 MB of memory in use. ENERGY: 3269800 4013.3700 20544.7014 14523.1323 229.3180 -203811.5082 3173.4251 0.0000 0.0000 52049.9799 -109277.5815 299.1319 -161327.5614 -108916.6474 299.0080 284.5349 314.8615 762466.0983 19.2082 19.2831 PRESSURE: 3270000 -31.831 -49.2366 208.221 -49.2364 36.4173 24.0524 208.222 24.0526 74.6182 GPRESSURE: 3270000 13.6412 -4.67248 236.914 44.7519 91.3412 87.4868 148.462 -35.698 57.8684 PRESSAVG: 3270000 83.8368 -32.3779 68.7862 -32.3779 -71.3797 41.8571 68.7861 41.8571 25.5122 GPRESSAVG: 3270000 84.4192 -31.375 70.2201 -33.1638 -71.1123 40.6778 68.875 42.6259 25.1068 TIMING: 3270000 CPU: 10218, 0.00311957/step Wall: 10218, 0.00311957/step, 1.49913 hours remaining, 234.050781 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: 3270000 3972.5026 20613.4403 14456.0479 250.1371 -203754.4021 3175.7747 0.0000 0.0000 52222.6400 -109063.8597 300.1242 -161286.4996 -108709.4468 299.2082 26.4015 54.2836 761349.8615 12.6564 12.8046 PRESSURE: 3270200 -114.028 261.637 -243.797 261.637 -63.6428 53.7678 -243.797 53.7677 -144.43 GPRESSURE: 3270200 -57.6943 201.093 -246.617 220.276 43.1547 121.15 -109.994 0.717942 -207.418 PRESSAVG: 3270200 55.6839 29.6955 3.19699 29.6955 -53.7402 27.6771 3.19702 27.6771 -4.96621 GPRESSAVG: 3270200 55.2489 28.8122 1.40876 30.5705 -54.6158 27.9301 6.39026 28.3398 -3.64287 TIMING: 3270200 CPU: 10218.6, 0.00310293/step Wall: 10218.6, 0.00310293/step, 1.49096 hours remaining, 234.050781 MB of memory in use. ENERGY: 3270200 4009.8634 20580.8440 14553.0834 256.9934 -203237.1059 2802.1703 0.0000 0.0000 52005.8393 -109028.3121 298.8783 -161034.1515 -108671.3015 299.7478 -107.3669 -73.9858 762856.3114 -1.0075 -1.0033 PRESSURE: 3270400 -189.733 19.9334 1.97235 19.9342 18.5995 -80.9852 1.97201 -80.9838 -422.842 GPRESSURE: 3270400 -176.245 -23.0917 -23.6344 180.723 27.5798 -107.632 26.624 -21.9464 -378.793 PRESSAVG: 3270400 -2.49504 15.6588 36.5656 15.6588 -2.57596 16.6526 36.5656 16.6526 -9.76301 GPRESSAVG: 3270400 -2.84244 12.2366 37.5524 15.335 -0.3944 15.2966 32.9701 16.591 -11.1998 TIMING: 3270400 CPU: 10219.2, 0.00309908/step Wall: 10219.2, 0.00309908/step, 1.48893 hours remaining, 234.050781 MB of memory in use. ENERGY: 3270400 3969.8207 20682.8589 14536.2280 240.6328 -203316.2755 2547.8940 0.0000 0.0000 52207.4609 -109131.3803 300.0370 -161338.8411 -108761.3818 299.3151 -197.9918 -175.8194 763535.3016 -4.9447 -4.8122 PRESSURE: 3270600 156.555 -109.164 216.322 -109.162 121.884 -259.516 216.323 -259.515 -3.16593 GPRESSURE: 3270600 201.85 -40.0477 207.8 -157.548 128.189 -228.42 83.6126 -287.294 22.6307 PRESSAVG: 3270600 -13.0121 49.5898 11.5023 49.5898 -2.30579 48.2003 11.5023 48.2002 -10.0423 GPRESSAVG: 3270600 -13.4049 54.0475 11.406 48.1274 -3.7877 48.6499 10.8908 48.5435 -8.7944 TIMING: 3270600 CPU: 10219.9, 0.00312765/step Wall: 10219.9, 0.00312766/step, 1.50249 hours remaining, 234.050781 MB of memory in use. ENERGY: 3270600 3983.7999 20686.9344 14531.9426 250.4155 -203457.1571 2909.7033 0.0000 0.0000 52091.2704 -109003.0912 299.3692 -161094.3615 -108640.4525 299.8026 91.7578 117.5565 762307.2297 -8.4534 -8.6623 PRESSURE: 3270800 -66.5987 -59.0952 -99.8309 -59.0955 34.9828 -114.051 -99.8299 -114.05 332.171 GPRESSURE: 3270800 -4.53288 -37.015 -93.7178 -75.7193 88.0201 -82.4324 -104.232 -89.2407 311.888 PRESSAVG: 3270800 -38.6399 -37.813 -40.5418 -37.813 -3.98974 -1.82108 -40.5418 -1.82104 -8.06434 GPRESSAVG: 3270800 -38.7654 -37.6175 -39.3603 -37.065 -3.8375 -0.00559115 -39.4915 -4.42931 -8.27798 TIMING: 3270800 CPU: 10220.5, 0.0031123/step Wall: 10220.5, 0.0031123/step, 1.49494 hours remaining, 234.050781 MB of memory in use. ENERGY: 3270800 4031.2300 20653.7100 14510.2848 248.3501 -203376.7533 2862.6181 0.0000 0.0000 52088.2493 -108982.3111 299.3519 -161070.5603 -108622.5112 299.8343 100.1849 131.7917 761698.7282 -16.8980 -16.9603 PRESSURE: 3271000 -113.695 147.458 -143.774 147.458 -405.32 131.772 -143.775 131.771 258.109 GPRESSURE: 3271000 -85.0788 161.478 -85.8627 109.004 -318.92 82.0681 -202.879 84.0212 214.627 PRESSAVG: 3271000 -2.7495 -23.1751 31.7285 -23.175 20.8313 39.0631 31.7285 39.0631 -3.70195 GPRESSAVG: 3271000 -3.70275 -23.8523 29.5827 -21.7671 21.6011 39.1658 31.4148 40.6338 -3.41898 TIMING: 3271000 CPU: 10221.1, 0.00311288/step Wall: 10221.1, 0.00311288/step, 1.49505 hours remaining, 234.050781 MB of memory in use. ENERGY: 3271000 4099.2388 20514.4453 14411.9066 246.7515 -203049.0236 2894.2314 0.0000 0.0000 52179.1418 -108703.3081 299.8742 -160882.4499 -108338.0831 299.9913 -86.9689 -63.1239 763755.3847 4.7933 4.8265 PRESSURE: 3271200 -349.397 226.498 90.5132 226.498 -510.028 -260.52 90.5135 -260.519 -360.355 GPRESSURE: 3271200 -362.333 172.263 86.8874 275.064 -426.414 -301.2 121.336 -275.459 -371.181 PRESSAVG: 3271200 18.6521 -34.5883 0.216041 -34.5883 -6.4655 -15.7017 0.216133 -15.7018 6.60352 GPRESSAVG: 3271200 18.7693 -34.9626 1.23511 -35.5391 -6.6433 -16.2953 0.352139 -17.7178 6.72919 TIMING: 3271200 CPU: 10221.7, 0.00313417/step Wall: 10221.7, 0.00313417/step, 1.5051 hours remaining, 234.050781 MB of memory in use. ENERGY: 3271200 4000.4294 20652.3539 14454.7273 229.9975 -202766.3186 2319.2833 0.0000 0.0000 52213.3443 -108896.1830 300.0708 -161109.5273 -108525.2899 300.0319 -406.5932 -386.6425 762684.2135 6.2634 6.2851 PRESSURE: 3271400 -182.497 156.446 29.4285 156.446 -66.1449 -59.2903 29.4282 -59.2899 -109.078 GPRESSURE: 3271400 -119.188 62.117 33.5192 106.917 -42.439 -79.2845 42.2065 -100.078 -109.553 PRESSAVG: 3271400 -10.9538 27.5795 -41.8856 27.5795 -56.9705 -19.7168 -41.8856 -19.7168 -16.0824 GPRESSAVG: 3271400 -9.8256 29.0354 -41.0449 26.1415 -58.1854 -19.7544 -42.4131 -20.5708 -15.78 TIMING: 3271400 CPU: 10222.4, 0.0031121/step Wall: 10222.4, 0.0031121/step, 1.49433 hours remaining, 234.050781 MB of memory in use. ENERGY: 3271400 3966.9355 20628.4649 14468.3663 247.2333 -203203.9437 2598.7519 0.0000 0.0000 52174.9109 -109119.2808 299.8499 -161294.1918 -108751.0537 299.8937 -119.2399 -90.3935 762201.0307 -28.0022 -27.9303 PRESSURE: 3271600 3.97505 -208.759 108.43 -208.758 -93.5936 -29.7824 108.43 -29.7815 -248.341 GPRESSURE: 3271600 5.59035 -207.533 77.6992 -128.315 -105.276 11.2344 123.044 42.573 -185.069 PRESSAVG: 3271600 -8.08303 -10.1271 -26.0085 -10.1271 -4.52608 -9.91599 -26.0085 -9.91589 9.5348 GPRESSAVG: 3271600 -8.05761 -11.4026 -27.721 -7.8158 -5.1489 -8.89931 -24.8932 -8.51419 10.0165 TIMING: 3271600 CPU: 10223, 0.00314473/step Wall: 10223, 0.00314473/step, 1.50982 hours remaining, 234.050781 MB of memory in use. ENERGY: 3271600 3957.9851 20666.3519 14583.4776 266.3257 -203695.1345 2804.5045 0.0000 0.0000 52224.8626 -109191.6272 300.1370 -161416.4897 -108830.5450 299.8946 -112.6533 -94.9182 761984.5787 -1.0248 -1.0634 PRESSURE: 3271800 86.382 144.421 -200.931 144.421 3.30226 -264.425 -200.93 -264.426 -280.468 GPRESSURE: 3271800 57.7744 199.597 -142.556 179.567 63.3138 -208.078 -96.8017 -309.896 -244.326 PRESSAVG: 3271800 -15.5541 -30.0433 -28.171 -30.0433 22.8236 -5.69438 -28.171 -5.69446 -9.72105 GPRESSAVG: 3271800 -15.3982 -28.6876 -26.7621 -31.9114 23.9114 -8.36252 -27.05 -0.859848 -10.7652 TIMING: 3271800 CPU: 10223.6, 0.00312421/step Wall: 10223.6, 0.00312421/step, 1.4998 hours remaining, 234.050781 MB of memory in use. ENERGY: 3271800 3964.6948 20686.3124 14407.8610 237.8257 -203191.5033 2558.2602 0.0000 0.0000 52223.3602 -109113.1890 300.1284 -161336.5492 -108754.5733 299.9528 -63.5946 -41.0794 764000.5784 -0.8172 -0.7506 PRESSURE: 3272000 -266.51 -136.76 -135.353 -136.759 -77.6417 89.9143 -135.353 89.9139 -82.632 GPRESSURE: 3272000 -127.144 -20.1474 -118.44 -99.6069 -154.674 92.2745 -140.424 84.105 -69.925 PRESSAVG: 3272000 -8.93326 9.10805 -18.8734 9.10804 -22.7669 -19.7507 -18.8735 -19.7508 -12.2679 GPRESSAVG: 3272000 -8.76892 7.61086 -20.0851 8.82368 -23.4296 -19.0769 -19.0399 -23.2248 -11.4088 TIMING: 3272000 CPU: 10224.2, 0.00313978/step Wall: 10224.2, 0.00313978/step, 1.50709 hours remaining, 234.050781 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: 3272000 4055.2632 20791.4834 14524.4624 265.4170 -203281.0654 2722.0075 0.0000 0.0000 52007.4592 -108914.9728 298.8876 -160922.4320 -108558.0549 299.9593 -142.2611 -117.2476 764481.5372 -14.6560 -14.5358 PRESSURE: 3272200 350.742 -264.644 140.023 -264.645 -46.0713 -67.9876 140.024 -67.9878 -277.495 GPRESSURE: 3272200 348.12 -291.824 193.108 -142.308 47.4079 19.0913 136.514 -81.1583 -269.935 PRESSAVG: 3272200 17.058 -23.538 -22.3686 -23.5381 25.2587 27.6971 -22.3685 27.697 -12.0134 GPRESSAVG: 3272200 17.7816 -24.0576 -21.1257 -23.7578 25.392 28.2072 -25.748 27.4946 -11.9148 TIMING: 3272200 CPU: 10224.9, 0.00313565/step Wall: 10224.9, 0.00313565/step, 1.50494 hours remaining, 234.050781 MB of memory in use. ENERGY: 3272200 4045.9373 20612.1475 14513.5429 242.8206 -203213.4159 2636.9057 0.0000 0.0000 52221.4899 -108940.5720 300.1176 -161162.0619 -108580.8331 300.0948 9.0584 41.8644 762758.0033 10.1011 10.4196 LDB: ============= START OF LOAD BALANCING ============== 10237.3 LDB: ============== END OF LOAD BALANCING =============== 10237.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10237.3 LDB: ============= START OF LOAD BALANCING ============== 10237.7 LDB: Largest compute 6998 load 0.030317 is 15.5% of average load 0.195203 LDB: Average compute 0.004375 is 2.2% of average load 0.195203 LDB: TIME 10237.7 LOAD: AVG 0.195203 MAX 0.215389 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.801 MB LDB: TIME 10237.7 LOAD: AVG 0.195203 MAX 0.215389 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.805 MB LDB: TIME 10237.7 LOAD: AVG 0.195203 MAX 0.215389 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.805 MB LDB: ============== END OF LOAD BALANCING =============== 10237.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10237.7 PRESSURE: 3272400 205.687 -73.2429 -103.992 -73.2422 325.293 64.0018 -103.991 64.002 -94.6652 GPRESSURE: 3272400 207.997 -28.2593 -83.7102 25.1578 298.222 -26.606 59.0727 92.1624 9.42585 PRESSAVG: 3272400 3.72527 -20.8748 -29.1475 -20.8748 1.65754 -3.91911 -29.1476 -3.91918 1.19703 GPRESSAVG: 3272400 2.75425 -18.2159 -28.0041 -22.0074 1.32563 -4.9203 -27.2209 -3.07421 1.946 TIMING: 3272400 CPU: 10225.5, 0.00320987/step Wall: 10225.5, 0.00320987/step, 1.54038 hours remaining, 234.312500 MB of memory in use. ENERGY: 3272400 3942.2448 20608.9170 14415.3935 250.2982 -203559.0250 3070.5502 0.0000 0.0000 52225.1058 -109046.5155 300.1384 -161271.6214 -108684.0025 300.1912 145.4381 171.8816 763813.1492 2.1933 2.0086 PRESSURE: 3272600 208.647 -22.5401 -10.6935 -22.5403 200.638 -228.666 -10.6935 -228.668 -179.403 GPRESSURE: 3272600 303.148 25.7556 -13.0353 -13.8138 162.795 -243.568 -104.504 -230.046 -152.005 PRESSAVG: 3272600 -20.8528 26.5744 -31.6569 26.5744 20.4174 37.6873 -31.6569 37.6873 -5.68329 GPRESSAVG: 3272600 -20.8626 26.6213 -33.8304 27.381 21.2191 38.9635 -29.7495 36.3315 -7.04332 TIMING: 3272600 CPU: 10226.1, 0.00313151/step Wall: 10226.1, 0.00313151/step, 1.5026 hours remaining, 234.312500 MB of memory in use. ENERGY: 3272600 3989.7344 20381.6042 14444.1627 277.6092 -203421.7208 2925.5779 0.0000 0.0000 52406.5703 -108996.4622 301.1813 -161403.0324 -108631.7707 299.6232 76.6274 104.6461 761936.5273 -2.0396 -2.2289 PRESSURE: 3272800 63.8456 73.993 -69.9576 73.9927 -130.09 18.0804 -69.9581 18.0802 -155.377 GPRESSURE: 3272800 48.1276 77.6154 -152.879 65.1092 -60.5883 29.2945 -93.1783 -13.5378 -144.996 PRESSAVG: 3272800 -14.9486 5.8276 2.85457 5.8276 -9.72926 0.819261 2.85456 0.819324 15.0959 GPRESSAVG: 3272800 -14.2736 5.35268 4.94059 5.58229 -10.6766 0.0905041 0.293005 2.32832 15.2111 TIMING: 3272800 CPU: 10226.8, 0.00312304/step Wall: 10226.8, 0.00312304/step, 1.49836 hours remaining, 234.312500 MB of memory in use. ENERGY: 3272800 4049.1221 20543.4064 14467.0653 245.4753 -203703.4337 2963.6168 0.0000 0.0000 52278.9238 -109155.8240 300.4477 -161434.7478 -108788.2720 299.3970 -73.8739 -52.4855 761951.2324 -3.1940 -3.2463 PRESSURE: 3273000 36.9057 -69.0164 -1.49401 -69.0173 -121.476 5.57119 -1.49472 5.57089 -616.924 GPRESSURE: 3273000 -35.3915 -109.423 -65.311 60.9201 -11.6319 104.716 -55.2656 -11.0189 -575.261 PRESSAVG: 3273000 37.2151 -20.4789 -23.061 -20.4788 -20.4625 2.1041 -23.0611 2.10406 -17.1842 GPRESSAVG: 3273000 36.4978 -21.85 -23.1414 -18.6137 -19.5272 3.75648 -23.6043 0.396629 -17.5661 TIMING: 3273000 CPU: 10227.4, 0.00311454/step Wall: 10227.4, 0.00311454/step, 1.49412 hours remaining, 234.312500 MB of memory in use. ENERGY: 3273000 4000.4687 20563.2355 14478.9318 240.9211 -203052.2662 2378.8630 0.0000 0.0000 52247.1903 -109142.6559 300.2653 -161389.8462 -108775.7821 299.5401 -233.8312 -207.4281 762738.0024 -0.1439 -0.1985 PRESSURE: 3273200 -328.202 88.4062 70.1048 88.4062 87.524 -22.2839 70.1057 -22.2837 183.019 GPRESSURE: 3273200 -289.928 16.9744 123.63 3.8471 64.7573 -57.0766 107.293 29.2845 256.411 PRESSAVG: 3273200 -56.8115 -0.785143 16.8367 -0.785151 45.6627 39.6425 16.8367 39.6426 -9.26169 GPRESSAVG: 3273200 -57.3214 0.196848 16.1795 -1.6233 45.445 38.8812 19.7339 40.3332 -8.52866 TIMING: 3273200 CPU: 10228, 0.00310154/step Wall: 10228, 0.00310154/step, 1.48771 hours remaining, 234.312500 MB of memory in use. ENERGY: 3273200 4007.5320 20626.4385 14466.1551 244.8079 -203272.5169 2633.8369 0.0000 0.0000 51960.4628 -109333.2837 298.6175 -161293.7465 -108974.8619 299.5428 -19.2194 10.4134 763030.5199 -6.8035 -6.8017 PRESSURE: 3273400 -24.6199 4.7306 46.956 4.73025 273.989 192.86 46.957 192.86 143.58 GPRESSURE: 3273400 64.1779 -27.0047 -4.44308 -13.2604 182.981 151.452 -83.6583 220.103 220.399 PRESSAVG: 3273400 39.7247 28.5729 23.0548 28.5729 -16.0519 -40.1955 23.0548 -40.1955 -8.30857 GPRESSAVG: 3273400 41.6893 28.2629 22.7297 28.8277 -16.3517 -41.2851 21.2732 -39.4319 -9.47738 TIMING: 3273400 CPU: 10228.6, 0.00309922/step Wall: 10228.6, 0.00309922/step, 1.48642 hours remaining, 234.312500 MB of memory in use. ENERGY: 3273400 3986.3858 20594.7788 14552.8349 249.2313 -203524.1275 2722.8996 0.0000 0.0000 51865.1619 -109552.8353 298.0698 -161417.9972 -109184.9970 298.6181 130.9832 155.8527 763441.9533 5.1214 5.2867 PRESSURE: 3273600 -33.3952 184.461 35.7621 184.46 -61.1816 -135.176 35.7626 -135.176 -59.7711 GPRESSURE: 3273600 -91.4733 198.011 -101.57 98.2549 -26.8291 -200.047 -17.5657 33.2412 46.9609 PRESSAVG: 3273600 43.5267 1.27451 17.8261 1.27451 -63.2165 -8.34966 17.8261 -8.34954 8.3468 GPRESSAVG: 3273600 43.4047 -0.286235 17.9264 2.37661 -62.9616 -7.6571 18.4418 -8.4847 8.44848 TIMING: 3273600 CPU: 10229.2, 0.00311645/step Wall: 10229.2, 0.00311645/step, 1.49451 hours remaining, 234.312500 MB of memory in use. ENERGY: 3273600 4103.0212 20401.2742 14490.4225 256.9443 -203634.2505 2967.7982 0.0000 0.0000 51912.0704 -109502.7196 298.3394 -161414.7900 -109152.0342 298.4130 -51.4493 -23.7805 764647.8459 -3.7810 -3.7028 PRESSURE: 3273800 -341.656 41.2792 -20.014 41.2787 -74.17 7.9175 -20.0138 7.9189 112.527 GPRESSURE: 3273800 -299.283 -6.01403 0.628694 81.9751 4.68748 97.4486 -146.688 -51.845 86.1365 PRESSAVG: 3273800 20.3634 7.68586 -19.0567 7.68585 -39.9555 15.4218 -19.0567 15.4218 29.9064 GPRESSAVG: 3273800 19.4775 10.075 -17.8505 6.48141 -39.3444 14.0724 -19.7176 16.6156 30.2626 TIMING: 3273800 CPU: 10229.9, 0.00312004/step Wall: 10229.9, 0.00312004/step, 1.49606 hours remaining, 234.312500 MB of memory in use. ENERGY: 3273800 4141.2402 20527.4085 14430.8528 237.6757 -203479.3237 2700.7964 0.0000 0.0000 52019.2359 -109422.1142 298.9553 -161441.3501 -109061.2963 298.1905 -101.0998 -69.4863 763481.7334 3.4381 3.4652 PRESSURE: 3274000 22.0316 224.534 47.9544 224.535 -378.145 97.4445 47.9547 97.4442 286.174 GPRESSURE: 3274000 18.5808 154.39 96.7982 199.803 -281.973 137.444 -18.7724 107.231 259.198 PRESSAVG: 3274000 35.8673 6.74769 5.1541 6.74777 -30.8852 45.7862 5.15414 45.7862 -5.9293 GPRESSAVG: 3274000 35.4202 4.47756 3.79833 9.46605 -31.5754 46.6597 5.44393 45.6132 -4.69244 TIMING: 3274000 CPU: 10230.5, 0.00311407/step Wall: 10230.5, 0.00311406/step, 1.49302 hours remaining, 234.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3274000 4015.4513 20500.3666 14449.1411 244.5756 -203336.3679 2755.2703 0.0000 0.0000 52073.1367 -109298.4262 299.2650 -161371.5629 -108937.8842 298.7893 -23.3130 -1.3983 764787.8122 -0.3157 -0.2826 PRESSURE: 3274200 -437.754 -198.399 154.747 -198.399 107.997 -136.991 154.748 -136.993 151.222 GPRESSURE: 3274200 -361.259 -28.2909 182.175 -66.2553 121.065 -253.226 137.006 -87.5636 154.319 PRESSAVG: 3274200 15.745 -23.2281 -7.84455 -23.2281 -26.4054 21.5466 -7.84456 21.5466 -6.14491 GPRESSAVG: 3274200 16.932 -20.7774 -7.21489 -25.1038 -26.3281 22.355 -7.21477 21.3918 -7.26402 TIMING: 3274200 CPU: 10231.1, 0.00311036/step Wall: 10231.1, 0.00311037/step, 1.49108 hours remaining, 234.312500 MB of memory in use. ENERGY: 3274200 4060.7479 20481.9384 14450.2437 228.4102 -203159.0070 2593.5850 0.0000 0.0000 52034.2978 -109309.7840 299.0418 -161344.0817 -108943.2996 298.6135 -59.5119 -28.6247 764230.8272 -5.6018 -5.5534 PRESSURE: 3274400 -150.442 -36.5169 -51.6265 -36.5187 -128.175 -118.71 -51.6269 -118.711 -248.554 GPRESSURE: 3274400 -127.294 -71.4574 -178.942 31.2005 -141.206 -106.323 -174.008 -136.359 -159.322 PRESSAVG: 3274400 -29.0824 -38.0456 -21.4649 -38.0456 -19.445 39.7392 -21.4649 39.7391 -18.8113 GPRESSAVG: 3274400 -30.5672 -37.572 -20.3996 -38.3797 -19.3233 38.8823 -21.2242 38.417 -17.3937 TIMING: 3274400 CPU: 10231.7, 0.00310453/step Wall: 10231.7, 0.00310453/step, 1.48811 hours remaining, 234.312500 MB of memory in use. ENERGY: 3274400 4001.2669 20594.4376 14419.5047 269.2483 -203554.0375 2873.7576 0.0000 0.0000 51804.2333 -109591.5891 297.7196 -161395.8224 -109227.8598 298.7949 -175.7238 -142.6073 762846.6938 -22.4463 -22.4281 PRESSURE: 3274600 -201.319 33.8999 110.551 33.8992 248.052 237.898 110.552 237.896 47.7652 GPRESSURE: 3274600 -138.226 -5.69598 184.664 35.1183 210.128 185.566 155.099 286.582 110.233 PRESSAVG: 3274600 -36.2307 -25.13 2.34077 -25.1301 -16.3922 40.7583 2.34076 40.7583 1.53092 GPRESSAVG: 3274600 -35.2351 -26.218 1.83027 -25.0338 -16.9883 40.7516 0.723623 42.1646 0.958913 TIMING: 3274600 CPU: 10232.4, 0.00311109/step Wall: 10232.4, 0.00311109/step, 1.49108 hours remaining, 234.312500 MB of memory in use. ENERGY: 3274600 3926.8805 20550.2259 14402.9202 247.5592 -202906.0284 2474.1892 0.0000 0.0000 51709.3965 -109594.8569 297.1746 -161304.2534 -109238.1810 298.6474 31.4994 60.7120 763181.0000 -17.0307 -17.0882 PRESSURE: 3274800 242.985 135.763 -112.433 135.762 104.582 6.40484 -112.433 6.40571 47.6392 GPRESSURE: 3274800 193.735 49.6148 -160.465 123.503 156.287 -110.001 -121.84 -65.3711 114.213 PRESSAVG: 3274800 -34.3591 4.95634 13.4884 4.95634 33.7665 21.334 13.4884 21.3341 32.8954 GPRESSAVG: 3274800 -33.389 4.87941 14.7891 3.99243 34.2959 20.3807 14.2517 20.4353 31.7318 TIMING: 3274800 CPU: 10233, 0.00312331/step Wall: 10233, 0.00312331/step, 1.49676 hours remaining, 234.312500 MB of memory in use. ENERGY: 3274800 4011.3463 20464.5862 14550.5510 231.9783 -203660.5461 2849.6458 0.0000 0.0000 51704.6540 -109847.7845 297.1474 -161552.4385 -109492.1867 298.5535 131.7354 154.7452 761636.8494 10.7676 10.8796 PRESSURE: 3275000 -15.9258 162.149 -75.8769 162.149 -101.16 -43.0532 -75.8768 -43.0537 361.276 GPRESSURE: 3275000 6.39641 36.8695 -245.723 41.7524 -73.4065 -30.8078 13.3858 21.027 386.837 PRESSAVG: 3275000 73.1563 15.1721 -89.7907 15.1721 -54.2601 6.83791 -89.7907 6.83786 -2.82223 GPRESSAVG: 3275000 72.0312 13.836 -92.2096 14.2605 -53.7285 7.67408 -90.5696 5.85999 -1.74001 TIMING: 3275000 CPU: 10233.6, 0.00310102/step Wall: 10233.6, 0.00310102/step, 1.48591 hours remaining, 234.312500 MB of memory in use. ENERGY: 3275000 3895.2706 20501.7645 14475.7100 254.8153 -203564.4887 2902.9092 0.0000 0.0000 51738.1757 -109795.8433 297.3400 -161534.0190 -109433.9003 297.8143 81.3970 106.6088 762833.4592 5.3580 5.5209 PRESSURE: 3275200 533.373 18.1761 -65.809 18.1762 38.0821 -60.475 -65.8086 -60.4754 -189.876 GPRESSURE: 3275200 496.537 88.5219 -20.924 -130.997 91.542 -26.698 -92.9123 66.092 -135.708 PRESSAVG: 3275200 -19.0422 -29.7378 -21.4875 -29.7378 -54.755 13.9901 -21.4874 13.9902 -1.97662 GPRESSAVG: 3275200 -17.3978 -28.3038 -21.0947 -29.8559 -55.0487 13.9577 -20.4606 14.4511 -2.5891 TIMING: 3275200 CPU: 10234.2, 0.00309957/step Wall: 10234.2, 0.00309957/step, 1.48504 hours remaining, 234.312500 MB of memory in use. ENERGY: 3275200 3932.7788 20518.4968 14494.6106 254.7604 -203519.7747 2760.0247 0.0000 0.0000 51794.3121 -109764.7913 297.6626 -161559.1034 -109414.6457 297.2691 127.1929 150.7903 762435.8920 -25.2579 -25.0119 PRESSURE: 3275400 -190.692 84.963 59.5412 84.9626 15.458 206.233 59.5413 206.234 2.99204 GPRESSURE: 3275400 -121.272 91.2465 39.7872 38.1811 11.6709 253.448 41.0634 200.221 29.874 PRESSAVG: 3275400 30.0368 13.3698 -9.98115 13.3698 9.16331 38.4306 -9.9811 38.4306 -24.92 GPRESSAVG: 3275400 29.089 12.9603 -9.38409 13.8141 9.85796 38.3897 -10.3502 39.5212 -24.1702 TIMING: 3275400 CPU: 10234.8, 0.00310978/step Wall: 10234.8, 0.00310978/step, 1.48976 hours remaining, 234.312500 MB of memory in use. ENERGY: 3275400 3897.5650 20419.8178 14416.3519 258.9058 -203684.9021 2918.4504 0.0000 0.0000 51982.8543 -109790.9569 298.7462 -161773.8111 -109423.5757 297.8617 -57.4141 -26.5755 761133.4464 4.7600 4.9256 PRESSURE: 3275600 -71.1422 -41.0569 14.4695 -41.0567 154.056 -189.01 14.4696 -189.01 -9.25615 GPRESSURE: 3275600 -84.1079 35.2918 80.3566 56.1294 155.064 -260.778 10.392 -142.845 85.1759 PRESSAVG: 3275600 21.6254 52.4417 41.7703 52.4417 -0.873096 36.1774 41.7703 36.1774 34.0302 GPRESSAVG: 3275600 23.0768 51.937 42.5396 54.0733 -2.70966 35.1421 41.2987 37.7056 34.4016 TIMING: 3275600 CPU: 10235.5, 0.00311145/step Wall: 10235.5, 0.00311145/step, 1.49039 hours remaining, 234.312500 MB of memory in use. ENERGY: 3275600 3976.5189 20415.2524 14419.7006 270.7284 -203234.4229 2913.2788 0.0000 0.0000 51618.1449 -109620.7991 296.6502 -161238.9439 -109259.6492 298.3838 24.5524 52.0440 764374.9929 18.2608 18.2562 PRESSURE: 3275800 59.12 -14.9704 -155.758 -14.9702 -214.463 167.514 -155.758 167.514 -180.343 GPRESSURE: 3275800 -13.6669 -91.589 -114.481 -13.4 -65.9647 195.299 -76.8523 140.334 -174.333 PRESSAVG: 3275800 -0.71514 30.8676 0.384446 30.8676 -1.08508 17.7284 0.384476 17.7284 11.3274 GPRESSAVG: 3275800 -2.11942 31.0815 -0.25356 27.1663 0.358417 19.3129 -0.51352 15.9532 10.981 TIMING: 3275800 CPU: 10236.1, 0.00312419/step Wall: 10236.1, 0.00312419/step, 1.49631 hours remaining, 234.312500 MB of memory in use. ENERGY: 3275800 3924.2549 20432.3151 14437.2370 257.3017 -203488.8137 2807.3411 0.0000 0.0000 51888.3894 -109741.9745 298.2033 -161630.3639 -109381.4951 297.9724 -111.8952 -84.6548 762607.5909 3.1757 3.0733 PRESSURE: 3276000 -119.399 -34.3491 134.37 -34.3497 -167.632 117.429 134.369 117.43 -48.0782 GPRESSURE: 3276000 -38.2221 -31.4873 77.9274 -18.819 -107.755 62.859 122.199 184.614 -98.3051 PRESSAVG: 3276000 -37.5229 11.5192 2.50119 11.5192 10.5616 13.3879 2.50126 13.388 -18.373 GPRESSAVG: 3276000 -36.4294 12.1348 1.66228 14.5927 9.44368 13.7526 1.75588 12.5993 -18.2078 TIMING: 3276000 CPU: 10236.7, 0.00310938/step Wall: 10236.7, 0.00310938/step, 1.48905 hours remaining, 234.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3276000 3999.8289 20522.2832 14408.7626 233.5448 -203238.7083 2505.4423 0.0000 0.0000 51856.3484 -109712.4982 298.0191 -161568.8465 -109343.2605 297.9043 -111.7030 -81.4275 764086.8328 -15.1114 -15.0645 PRESSURE: 3276200 219.876 93.9223 75.6565 93.9225 -3.29961 -149.968 75.6573 -149.968 -135.269 GPRESSURE: 3276200 288.209 157.808 46.3981 92.0268 -48.2732 -25.6664 159.908 -174.234 -96.6853 PRESSAVG: 3276200 13.6438 -15.6679 9.07518 -15.6679 -35.4166 -35.3057 9.07514 -35.3057 -10.9045 GPRESSAVG: 3276200 14.0618 -16.9603 9.81143 -16.2126 -35.0652 -35.9021 10.765 -34.0901 -12.3493 TIMING: 3276200 CPU: 10237.3, 0.00310604/step Wall: 10237.3, 0.00310604/step, 1.48728 hours remaining, 234.312500 MB of memory in use. ENERGY: 3276200 4006.4392 20437.1599 14387.4550 225.5603 -203665.3251 2875.2659 0.0000 0.0000 52080.8826 -109652.5621 299.3095 -161733.4447 -109288.6112 298.0192 27.1026 47.7503 762065.3412 -10.8925 -11.1176 LDB: ============= START OF LOAD BALANCING ============== 10249.8 LDB: ============== END OF LOAD BALANCING =============== 10249.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10249.8 LDB: ============= START OF LOAD BALANCING ============== 10250.1 LDB: Largest compute 7007 load 0.028952 is 14.8% of average load 0.195271 LDB: Average compute 0.004376 is 2.2% of average load 0.195271 LDB: TIME 10250.1 LOAD: AVG 0.195271 MAX 0.214674 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.281 MB LDB: TIME 10250.1 LOAD: AVG 0.195271 MAX 0.214674 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.395 MB LDB: TIME 10250.1 LOAD: AVG 0.195271 MAX 0.214674 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.395 MB LDB: ============== END OF LOAD BALANCING =============== 10250.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10250.1 PRESSURE: 3276400 56.4363 119.73 -366.765 119.73 -34.1407 113.058 -366.765 113.057 -303.871 GPRESSURE: 3276400 97.287 136.075 -256.27 105.374 3.84131 126.565 -380.366 147.877 -297.751 PRESSAVG: 3276400 16.7831 -1.50017 -55.2522 -1.50021 -15.397 -13.9253 -55.2522 -13.9253 3.76926 GPRESSAVG: 3276400 16.6838 0.740841 -54.6739 -2.10825 -15.9433 -13.2318 -54.6233 -12.8734 3.71465 TIMING: 3276400 CPU: 10238, 0.00317319/step Wall: 10238, 0.00317319/step, 1.51925 hours remaining, 234.253906 MB of memory in use. ENERGY: 3276400 3988.0759 20450.1924 14463.0118 238.1824 -203144.7418 2699.6891 0.0000 0.0000 51903.5715 -109402.0188 298.2905 -161305.5903 -109041.7454 298.0710 -93.8587 -65.5408 763480.5431 1.7185 1.4850 PRESSURE: 3276600 -72.8035 -33.8161 -111.306 -33.8167 -259.76 56.9808 -111.306 56.9799 -174.751 GPRESSURE: 3276600 1.20883 -46.9818 -38.9938 -31.193 -197.563 134.423 -203.038 -124.389 -230.418 PRESSAVG: 3276600 31.8972 25.0912 24.4229 25.0912 2.30811 47.4458 24.4229 47.4458 -12.9392 GPRESSAVG: 3276600 32.441 23.7744 23.9716 23.2135 2.00463 47.5376 23.6832 47.6955 -12.7919 TIMING: 3276600 CPU: 10238.6, 0.00310015/step Wall: 10238.6, 0.00310015/step, 1.48411 hours remaining, 234.253906 MB of memory in use. ENERGY: 3276600 4033.8519 20473.9879 14463.9741 245.1161 -203220.8876 2670.7867 0.0000 0.0000 52016.0018 -109317.1691 298.9367 -161333.1709 -108960.9159 299.0925 -169.1049 -142.2576 763826.7828 7.0887 7.2179 PRESSURE: 3276800 -245.317 154.433 -26.6722 154.434 -130.941 -260.829 -26.6727 -260.83 -271.835 GPRESSURE: 3276800 -183.922 226.929 -29.1351 153.42 -97.7517 -252.571 43.0445 -126.417 -276.411 PRESSAVG: 3276800 33.896 47.3414 -27.0813 47.3414 -20.9533 -0.310481 -27.0813 -0.310326 3.42295 GPRESSAVG: 3276800 33.0636 49.5402 -26.0769 46.6061 -21.1205 -0.860041 -25.7109 -2.861 3.94936 TIMING: 3276800 CPU: 10239.2, 0.0031073/step Wall: 10239.2, 0.0031073/step, 1.48736 hours remaining, 234.253906 MB of memory in use. ENERGY: 3276800 3958.2527 20622.6232 14434.2475 236.1054 -203207.4842 2689.8061 0.0000 0.0000 52006.9496 -109259.4997 298.8847 -161266.4494 -108892.9855 298.9009 -216.0312 -186.0281 763756.1743 5.4552 5.2975 PRESSURE: 3277000 -171.584 153.313 -2.71429 153.314 -486.956 -103.624 -2.71377 -103.622 -480.103 GPRESSURE: 3277000 -87.8637 150.979 -98.362 159.549 -446.582 -42.2779 -56.8148 -237.355 -513.708 PRESSAVG: 3277000 7.60056 66.7754 -1.19483 66.7754 -1.07427 -11.1353 -1.19475 -11.1352 10.9947 GPRESSAVG: 3277000 7.20941 65.9592 -2.40736 70.1832 -1.02171 -10.7621 -1.53117 -9.99875 11.0567 TIMING: 3277000 CPU: 10239.8, 0.00310238/step Wall: 10239.8, 0.00310238/step, 1.48483 hours remaining, 234.253906 MB of memory in use. ENERGY: 3277000 4004.1122 20418.0195 14432.8114 256.2219 -203152.3469 2752.2951 0.0000 0.0000 51926.8270 -109362.0598 298.4242 -161288.8868 -108999.8985 298.9538 -379.5477 -349.3846 764250.1818 5.8403 5.7481 PRESSURE: 3277200 161.459 177.977 31.0903 177.977 -14.9354 -8.36444 31.0906 -8.36368 -61.7689 GPRESSURE: 3277200 205.258 164.952 114.599 124.491 72.9856 53.7656 -6.47647 -94.3676 -116.502 PRESSAVG: 3277200 -32.9435 37.3983 -2.40054 37.3983 26.9151 16.0816 -2.40054 16.0816 -19.1013 GPRESSAVG: 3277200 -33.533 34.7181 -2.64553 35.0251 27.2607 17.2337 -1.42031 15.3313 -19.7653 TIMING: 3277200 CPU: 10240.4, 0.0031056/step Wall: 10240.4, 0.0031056/step, 1.4862 hours remaining, 234.253906 MB of memory in use. ENERGY: 3277200 3964.3125 20391.6539 14407.4058 262.9362 -202846.8265 2440.4933 0.0000 0.0000 52129.6210 -109250.4037 299.5896 -161380.0247 -108896.1669 298.7994 28.2516 53.9139 762726.2438 -8.3766 -8.6792 PRESSURE: 3277400 -19.1575 -2.66705 9.58202 -2.66752 -128.676 82.4009 9.58192 82.4006 122.405 GPRESSURE: 3277400 9.71599 116.441 2.64369 24.884 -77.2254 97.9478 44.6297 162.549 152.725 PRESSAVG: 3277400 17.8684 63.2893 -15.8641 63.2893 -20.2397 46.9407 -15.8641 46.9407 16.3025 GPRESSAVG: 3277400 17.3907 66.634 -15.0759 63.5345 -20.2654 45.2941 -20.0471 47.9883 17.313 TIMING: 3277400 CPU: 10241.1, 0.00309603/step Wall: 10241.1, 0.00309603/step, 1.48145 hours remaining, 234.253906 MB of memory in use. ENERGY: 3277400 3935.2391 20523.6147 14395.6657 249.3888 -202661.2250 2400.0402 0.0000 0.0000 52115.3026 -109041.9739 299.5074 -161157.2765 -108668.7751 299.4914 -8.4762 28.4052 762932.7797 4.6437 4.8128 PRESSURE: 3277600 29.6303 61.1259 -300.552 61.1261 103.699 23.6301 -300.551 23.6302 262.515 GPRESSURE: 3277600 14.5639 31.138 -201.847 -51.7376 86.406 -43.9211 -201.826 -57.059 359.362 PRESSAVG: 3277600 -25.3269 8.15953 -13.8681 8.15954 22.2343 67.2882 -13.8681 67.2883 12.2607 GPRESSAVG: 3277600 -23.3396 5.32096 -14.9586 9.08996 21.4467 67.2428 -11.118 66.9517 10.8204 TIMING: 3277600 CPU: 10241.7, 0.00309729/step Wall: 10241.7, 0.00309729/step, 1.48188 hours remaining, 234.253906 MB of memory in use. ENERGY: 3277600 3955.4837 20519.1577 14423.4105 256.2665 -203415.7187 2856.4233 0.0000 0.0000 52357.8107 -109047.1663 300.9011 -161404.9770 -108690.9583 299.6112 131.9481 153.4438 762469.1386 3.0561 2.9758 PRESSURE: 3277800 -143.872 67.6413 -130.218 67.6421 58.7469 -184.647 -130.218 -184.648 -188.934 GPRESSURE: 3277800 -144.944 84.5336 -135.903 -85.1545 122.439 -203.563 -234.065 -128.851 -174.402 PRESSAVG: 3277800 11.646 21.2974 16.0672 21.2974 -10.4318 -20.766 16.0672 -20.7661 -6.87996 GPRESSAVG: 3277800 10.0758 23.9999 16.2467 20.6398 -9.74587 -21.5691 15.8202 -20.7941 -5.90436 TIMING: 3277800 CPU: 10242.3, 0.00309599/step Wall: 10242.3, 0.00309599/step, 1.48109 hours remaining, 234.253906 MB of memory in use. ENERGY: 3277800 4016.1510 20551.9451 14472.4253 233.2145 -203208.1631 2671.0330 0.0000 0.0000 52193.3997 -109069.9945 299.9562 -161263.3943 -108713.0496 300.0198 -91.3532 -65.6358 762415.7963 -1.8886 -1.8581 PRESSURE: 3278000 -276.756 29.0131 157.724 29.0129 -21.4974 -56.7674 157.724 -56.7659 -311.014 GPRESSURE: 3278000 -189.403 -78.8855 136.27 77.3728 -11.2417 -75.4927 123.43 -71.9965 -323.777 PRESSAVG: 3278000 53.8084 9.91223 -5.4428 9.9122 -21.7589 -0.665036 -5.44278 -0.665015 5.40783 GPRESSAVG: 3278000 53.6761 8.40322 -6.86218 11.1264 -21.5003 0.941001 -5.60407 -0.159117 5.1347 TIMING: 3278000 CPU: 10242.9, 0.00310377/step Wall: 10242.9, 0.00310377/step, 1.48464 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3278000 4022.9511 20533.1502 14465.9664 254.4555 -203293.0494 2793.6117 0.0000 0.0000 52059.8857 -109163.0288 299.1889 -161222.9145 -108799.2544 299.8208 -203.0891 -174.8072 762270.7521 12.4858 12.4368 PRESSURE: 3278200 185.774 -32.0098 -36.5464 -32.0092 84.9602 -68.1407 -36.5457 -68.1401 246.783 GPRESSURE: 3278200 267.592 -2.57577 -139.29 -62.7109 83.1418 -88.9833 -31.6859 -46.9744 276.064 PRESSAVG: 3278200 63.4992 6.6212 -13.2661 6.62117 -57.3869 -43.7524 -13.2662 -43.7524 -8.13851 GPRESSAVG: 3278200 62.9442 4.90216 -12.9542 6.70118 -56.5615 -45.1813 -12.6234 -44.3324 -8.25355 TIMING: 3278200 CPU: 10243.5, 0.00312151/step Wall: 10243.5, 0.00312151/step, 1.49295 hours remaining, 234.253906 MB of memory in use. ENERGY: 3278200 3917.9462 20375.5829 14424.3677 274.5104 -203362.3147 2930.0775 0.0000 0.0000 52014.4997 -109425.3302 298.9280 -161439.8300 -109062.7818 299.4715 172.5059 208.9327 761921.8735 -0.6754 -0.6236 PRESSURE: 3278400 -249.433 -200.736 47.1505 -200.738 -316.766 122.364 47.1491 122.362 -452.13 GPRESSURE: 3278400 -214.328 -157.048 50.8714 -175.34 -295.162 148.936 23.5988 56.2196 -409.148 PRESSAVG: 3278400 28.4643 -13.0173 54.8007 -13.0173 -5.90359 9.44004 54.8006 9.43989 14.7286 GPRESSAVG: 3278400 28.3322 -11.0102 55.6724 -14.5307 -6.08261 10.5174 52.695 10.0988 14.8358 TIMING: 3278400 CPU: 10244.2, 0.00312679/step Wall: 10244.2, 0.00312679/step, 1.4953 hours remaining, 234.253906 MB of memory in use. ENERGY: 3278400 4054.3931 20485.4081 14418.7413 256.0176 -203166.0279 2429.9432 0.0000 0.0000 51903.6084 -109617.9164 298.2908 -161521.5247 -109265.4471 298.6982 -339.4428 -306.2126 761139.8255 12.4298 12.3618 PRESSURE: 3278600 7.70342 -81.3401 26.4928 -81.3397 -121.592 47.2485 26.4924 47.249 -24.9373 GPRESSURE: 3278600 66.7061 -216.12 41.283 8.19635 -116.371 34.2206 22.4044 -8.31227 -29.3846 PRESSAVG: 3278600 13.6244 -17.8925 3.90218 -17.8924 -17.3792 -4.38242 3.90222 -4.38236 -16.3033 GPRESSAVG: 3278600 15.0789 -19.9889 5.611 -15.5501 -18.5077 -6.04427 4.56077 -4.65157 -16.6502 TIMING: 3278600 CPU: 10244.8, 0.00311811/step Wall: 10244.8, 0.00311811/step, 1.49098 hours remaining, 234.253906 MB of memory in use. ENERGY: 3278600 4044.9387 20615.4291 14404.9988 258.6589 -202963.2060 2368.7153 0.0000 0.0000 51762.2141 -109508.2510 297.4782 -161270.4651 -109148.6327 299.0227 -46.2752 -26.3497 761881.4747 -6.6860 -6.6930 PRESSURE: 3278800 -359.994 119.904 156.658 119.903 141.803 16.9302 156.658 16.9303 32.3726 GPRESSURE: 3278800 -193.83 103.486 144.984 73.5809 83.6711 -59.1803 161.442 96.3417 9.48371 PRESSAVG: 3278800 -34.9625 4.41427 -24.5206 4.41421 2.85828 37.2659 -24.5206 37.2658 -3.58794 GPRESSAVG: 3278800 -35.0305 5.46157 -27.0064 2.94736 2.33278 38.5035 -24.8397 36.5588 -2.77343 TIMING: 3278800 CPU: 10245.4, 0.00310424/step Wall: 10245.4, 0.00310423/step, 1.48417 hours remaining, 234.253906 MB of memory in use. ENERGY: 3278800 4015.2188 20595.6739 14407.4009 245.0209 -203178.4634 2769.4979 0.0000 0.0000 51680.8973 -109464.7538 297.0108 -161145.6511 -109105.1902 298.6086 -61.9395 -33.5585 762292.2647 -11.8974 -11.8237 PRESSURE: 3279000 -177.587 288.797 -52.3999 288.796 18.5102 -32.0439 -52.4004 -32.0448 -48.1252 GPRESSURE: 3279000 -90.7234 267.335 -86.9949 361.696 22.5826 -92.4483 19.6519 -7.86006 -55.4001 PRESSAVG: 3279000 -26.4666 -2.56854 -37.5013 -2.56859 37.6242 -15.6574 -37.5013 -15.6574 -2.44649 GPRESSAVG: 3279000 -27.1633 -1.9348 -36.2533 -2.93669 38.2428 -15.7986 -37.2303 -14.8098 -2.47332 TIMING: 3279000 CPU: 10246, 0.00310824/step Wall: 10246, 0.00310824/step, 1.48591 hours remaining, 234.253906 MB of memory in use. ENERGY: 3279000 3913.1557 20509.9107 14389.7401 224.4559 -203162.7118 2706.1319 0.0000 0.0000 52036.9570 -109382.3605 299.0571 -161419.3175 -109016.5984 299.0784 -69.0673 -41.1803 762525.2422 2.9037 2.8687 PRESSURE: 3279200 104.851 67.8551 190.238 67.8552 438.461 96.5741 190.237 96.574 290.996 GPRESSURE: 3279200 220.937 121.272 191.572 23.8587 383.749 86.8417 111.219 28.8996 283.553 PRESSAVG: 3279200 -41.6552 21.1447 22.5862 21.1446 46.3206 -18.0714 22.5862 -18.0713 6.1766 GPRESSAVG: 3279200 -41.2324 21.5219 22.3813 20.9147 46.1776 -18.4809 21.9138 -18.8605 5.78482 TIMING: 3279200 CPU: 10246.7, 0.00312211/step Wall: 10246.7, 0.00312211/step, 1.49237 hours remaining, 234.253906 MB of memory in use. ENERGY: 3279200 3981.8183 20609.6536 14414.4630 249.2241 -203812.4926 3130.0866 0.0000 0.0000 51934.6069 -109492.6401 298.4689 -161427.2470 -109130.5037 298.6149 278.1027 296.0798 759639.1299 3.6140 3.5767 PRESSURE: 3279400 -89.6724 137.665 -50.3668 137.664 -160.505 -87.4783 -50.367 -87.4779 -60.3402 GPRESSURE: 3279400 11.2306 52.3611 -82.3878 104.512 -151.671 -96.4887 -45.6718 -95.7528 -89.1037 PRESSAVG: 3279400 -55.0134 31.5229 29.5502 31.523 29.583 11.5382 29.5502 11.5383 -17.8758 GPRESSAVG: 3279400 -55.8757 29.6405 28.7859 32.0935 30.8569 10.5848 29.4438 11.089 -18.0262 TIMING: 3279400 CPU: 10247.3, 0.00312064/step Wall: 10247.3, 0.00312064/step, 1.49149 hours remaining, 234.253906 MB of memory in use. ENERGY: 3279400 3981.6532 20531.3514 14391.2887 228.1939 -203339.7568 2789.3159 0.0000 0.0000 51991.5463 -109426.4075 298.7961 -161417.9537 -109069.4544 298.6772 -103.5058 -76.5146 762897.0450 -14.4354 -14.3483 PRESSURE: 3279600 257.883 -19.3265 -69.7313 -19.3264 261.848 118.121 -69.7315 118.121 128.984 GPRESSURE: 3279600 318.178 -52.385 -8.18252 14.3317 256.757 50.7847 -22.6954 14.9948 150.63 PRESSAVG: 3279600 -7.21586 5.14575 2.14985 5.14581 16.7016 -44.5108 2.1498 -44.5108 -0.387462 GPRESSAVG: 3279600 -6.06433 5.37987 1.8275 5.46124 15.6885 -46.1948 3.22955 -42.0292 -1.02526 TIMING: 3279600 CPU: 10247.9, 0.0031146/step Wall: 10247.9, 0.0031146/step, 1.48843 hours remaining, 234.253906 MB of memory in use. ENERGY: 3279600 3978.1887 20670.1328 14514.1656 239.5880 -203245.6590 2687.6462 0.0000 0.0000 51687.8939 -109468.0437 297.0510 -161155.9377 -109113.0202 298.7867 216.2382 241.8551 763456.3745 3.0327 2.8663 PRESSURE: 3279800 138.119 -62.3071 259.728 -62.3071 71.6614 -289.552 259.729 -289.55 441.156 GPRESSURE: 3279800 159.386 49.1144 223.29 -27.6205 95.8083 -257.794 153.208 -283.628 484.513 PRESSAVG: 3279800 -53.2063 -6.35568 13.506 -6.35566 13.4126 -24.5789 13.506 -24.5789 -1.64491 GPRESSAVG: 3279800 -54.2561 -9.22236 13.1758 -5.38546 13.1231 -21.1841 13.4139 -24.5524 -0.0221743 TIMING: 3279800 CPU: 10248.5, 0.00311365/step Wall: 10248.5, 0.00311365/step, 1.4878 hours remaining, 234.253906 MB of memory in use. ENERGY: 3279800 4020.3157 20476.5663 14406.7860 238.5136 -203638.0218 2990.4564 0.0000 0.0000 52108.1977 -109397.1862 299.4665 -161505.3839 -109037.3798 298.8478 216.9789 246.5693 761970.9990 -13.8128 -13.7184 PRESSURE: 3280000 29.1594 -168.206 -149.884 -168.206 144.35 -92.7928 -149.883 -92.7919 134.093 GPRESSURE: 3280000 -12.7484 -172.66 -89.6588 -198.177 153.343 -60.4584 -164.402 -36.4963 249.58 PRESSAVG: 3280000 -10.0555 -6.36494 42.5061 -6.36494 10.3916 -50.9206 42.5061 -50.9206 -6.11915 GPRESSAVG: 3280000 -9.72732 -3.25134 43.8557 -6.9015 9.83332 -51.6604 41.4795 -51.1962 -5.91075 TIMING: 3280000 CPU: 10249.2, 0.00310992/step Wall: 10249.2, 0.00310992/step, 1.48585 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3280000 3994.0059 20432.3062 14385.0562 247.2294 -203303.1133 2694.2950 0.0000 0.0000 52034.1670 -109516.0535 299.0411 -161550.2205 -109151.7615 298.9789 102.5343 130.0583 761835.0320 -1.9277 -1.9349 PRESSURE: 3280200 174.211 -67.1144 23.7986 -67.1148 -145.635 4.03134 23.7993 4.02991 -460.267 GPRESSURE: 3280200 189.564 -117.618 45.8415 13.2634 7.42001 -15.2595 107.661 -69.1474 -523.624 PRESSAVG: 3280200 -19.796 -36.3491 -0.13804 -36.3491 34.4737 11.5035 -0.138003 11.5035 -5.65132 GPRESSAVG: 3280200 -20.2194 -35.2741 0.26429 -36.5742 36.1778 12.6745 1.14375 9.83149 -6.24776 TIMING: 3280200 CPU: 10249.8, 0.00310297/step Wall: 10249.8, 0.00310297/step, 1.48236 hours remaining, 234.253906 MB of memory in use. ENERGY: 3280200 4019.4157 20463.7392 14371.0656 246.4028 -203332.3914 2827.8237 0.0000 0.0000 51864.1578 -109539.7866 298.0640 -161403.9443 -109177.8367 298.4958 -143.8970 -108.8800 763309.9646 3.0088 3.2369 LDB: ============= START OF LOAD BALANCING ============== 10262.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10262.3 LDB: =============== DONE WITH MIGRATION ================ 10262.3 LDB: ============= START OF LOAD BALANCING ============== 10262.6 LDB: Largest compute 7032 load 0.029567 is 15.1% of average load 0.195202 LDB: Average compute 0.004374 is 2.2% of average load 0.195202 LDB: TIME 10262.6 LOAD: AVG 0.195202 MAX 0.214591 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.766 MB LDB: TIME 10262.6 LOAD: AVG 0.195202 MAX 0.214591 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.766 MB LDB: TIME 10262.6 LOAD: AVG 0.195202 MAX 0.214591 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.766 MB LDB: ============== END OF LOAD BALANCING =============== 10262.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10262.6 PRESSURE: 3280400 383.261 -59.4256 76.7703 -59.4259 167.702 3.33486 76.7697 3.33429 158.07 GPRESSURE: 3280400 444.54 -153.773 39.2528 -141.747 114.706 -14.5656 -132.942 -58.039 252.426 PRESSAVG: 3280400 27.0573 -35.4409 18.0519 -35.4409 -31.7904 -17.427 18.0519 -17.4269 21.9909 GPRESSAVG: 3280400 27.824 -37.1726 17.2458 -33.5304 -32.4853 -18.8837 16.0455 -17.7217 21.772 TIMING: 3280400 CPU: 10250.4, 0.00316779/step Wall: 10250.4, 0.00316779/step, 1.51315 hours remaining, 234.253906 MB of memory in use. ENERGY: 3280400 3971.0867 20475.7933 14384.9435 253.8151 -203399.3279 2788.8550 0.0000 0.0000 51880.1453 -109644.6889 298.1559 -161524.8343 -109278.7394 298.9092 236.3444 270.5571 761444.5078 5.7526 5.7036 PRESSURE: 3280600 -71.9195 13.2451 74.143 13.2458 141.737 -32.5294 74.1437 -32.5292 335.822 GPRESSURE: 3280600 9.87003 -53.9621 46.7372 -70.0915 119.764 -108.254 -35.7988 6.18007 381.726 PRESSAVG: 3280600 19.1514 -3.71257 -6.71757 -3.7126 -22.2714 -16.193 -6.71759 -16.193 7.27756 GPRESSAVG: 3280600 19.8185 -5.62681 -7.05653 -4.64262 -22.8724 -15.1614 -6.23669 -17.1938 7.34428 TIMING: 3280600 CPU: 10251, 0.0031146/step Wall: 10251, 0.0031146/step, 1.48757 hours remaining, 234.253906 MB of memory in use. ENERGY: 3280600 3913.2556 20553.4353 14399.5267 253.9764 -203195.7490 2595.2989 0.0000 0.0000 51961.5140 -109518.7421 298.6235 -161480.2561 -109153.7603 298.4623 135.2135 170.4533 761919.4052 1.3859 1.4301 PRESSURE: 3280800 157.499 95.923 -227.71 95.9231 325.081 -110.632 -227.712 -110.633 70.582 GPRESSURE: 3280800 170.305 23.9826 -144.944 185.751 408.611 -59.1355 -240.219 30.4338 67.4164 PRESSAVG: 3280800 10.0362 22.8634 -64.7436 22.8633 36.5837 -0.380184 -64.7435 -0.38007 -5.86973 GPRESSAVG: 3280800 8.18942 25.676 -64.0052 21.255 36.855 -0.82334 -64.2152 2.077 -4.43156 TIMING: 3280800 CPU: 10251.7, 0.00310525/step Wall: 10251.7, 0.00310525/step, 1.48293 hours remaining, 234.253906 MB of memory in use. ENERGY: 3280800 3987.1455 20595.2853 14352.5230 231.9416 -203207.2559 2632.7909 0.0000 0.0000 51908.0540 -109499.5155 298.3163 -161407.5695 -109140.3894 298.6761 184.3873 215.4440 762617.3049 13.5834 13.5376 PRESSURE: 3281000 -191.432 65.1451 100.67 65.1453 104.428 -124.369 100.669 -124.369 385.291 GPRESSURE: 3281000 -137.278 126.544 100.54 -6.88837 206.052 -55.6393 -116.6 -106.063 307.432 PRESSAVG: 3281000 -31.1121 17.4343 -33.8837 17.4343 33.0815 43.2735 -33.8837 43.2736 35.1839 GPRESSAVG: 3281000 -30.729 16.329 -32.8964 17.4032 34.5615 41.8324 -35.1575 43.0252 33.3861 TIMING: 3281000 CPU: 10252.3, 0.00309518/step Wall: 10252.3, 0.00309518/step, 1.47795 hours remaining, 234.253906 MB of memory in use. ENERGY: 3281000 3930.8125 20568.0161 14406.3153 247.1199 -203192.0449 2637.8675 0.0000 0.0000 51908.6205 -109493.2932 298.3196 -161401.9136 -109145.2765 299.2571 99.4288 125.4019 762591.6333 12.3844 12.4062 PRESSURE: 3281200 209.278 -88.4031 65.8883 -88.4045 -54.8939 162.373 65.8886 162.374 -326.973 GPRESSURE: 3281200 168.941 75.1846 -39.21 -56.627 -11.061 243.54 253.578 104.155 -258.972 PRESSAVG: 3281200 -7.61773 65.5685 -20.3749 65.5685 36.5958 -14.8404 -20.3749 -14.8403 -2.68469 GPRESSAVG: 3281200 -8.54301 67.0194 -21.615 64.7513 35.6043 -15.4282 -17.7023 -12.2666 -1.15117 TIMING: 3281200 CPU: 10252.9, 0.00310785/step Wall: 10252.9, 0.00310785/step, 1.48383 hours remaining, 234.253906 MB of memory in use. ENERGY: 3281200 4024.5755 20587.8476 14352.6364 221.7916 -203077.2667 2412.3763 0.0000 0.0000 51982.6303 -109495.4090 298.7449 -161478.0393 -109137.6395 298.6384 -57.5296 -33.6974 761628.6614 8.7644 8.6367 PRESSURE: 3281400 -166.534 196.858 -226.452 196.858 -470.571 342.558 -226.451 342.558 -70.6722 GPRESSURE: 3281400 -226.603 275.187 -246.838 227.64 -377.005 270.64 -30.9038 309.755 -28.5221 PRESSAVG: 3281400 -15.0761 -7.0848 -17.143 -7.08475 31.4925 36.5841 -17.1429 36.5841 9.12819 GPRESSAVG: 3281400 -14.4871 -6.27482 -15.7458 -7.47227 30.7199 37.1968 -17.0798 35.2243 9.01183 TIMING: 3281400 CPU: 10253.5, 0.00309437/step Wall: 10253.5, 0.00309437/step, 1.47722 hours remaining, 234.253906 MB of memory in use. ENERGY: 3281400 3994.6998 20574.9821 14384.1857 246.3460 -202954.3034 2378.1740 0.0000 0.0000 51964.0938 -109411.8219 298.6384 -161375.9157 -109052.5949 298.7775 -235.9257 -210.7102 763577.8824 8.5149 8.4149 PRESSURE: 3281600 -359.901 206.113 42.3897 206.114 -394.207 -149.415 42.3899 -149.415 -13.1412 GPRESSURE: 3281600 -298.263 132.821 -8.81807 129.375 -262.362 -169.557 -150.966 -107.325 -113.691 PRESSAVG: 3281600 -46.3326 65.5374 -49.8555 65.5375 31.5174 -20.839 -49.8555 -20.839 3.78935 GPRESSAVG: 3281600 -45.6589 64.2244 -50.1933 65.8192 30.9367 -21.6422 -54.1519 -21.8049 3.74018 TIMING: 3281600 CPU: 10254.1, 0.0030834/step Wall: 10254.1, 0.0030834/step, 1.47181 hours remaining, 234.253906 MB of memory in use. ENERGY: 3281600 3919.5584 20434.2778 14427.1054 230.4364 -202775.6980 2228.1463 0.0000 0.0000 52076.9940 -109459.1798 299.2872 -161536.1738 -109093.9592 298.8278 -255.7498 -224.7721 760490.6314 -3.6753 -3.6607 PRESSURE: 3281800 192.97 58.484 -208.722 58.484 39.7377 -87.2274 -208.722 -87.2272 -32.9084 GPRESSURE: 3281800 243.828 7.8174 -223.598 42.8038 -18.2918 -151.22 -299.082 -24.3063 33.8943 PRESSAVG: 3281800 -62.1983 16.9023 -52.0042 16.9023 90.3131 -48.6161 -52.0042 -48.6161 -9.53905 GPRESSAVG: 3281800 -62.8336 16.7948 -52.3729 16.878 91.8593 -47.2449 -48.7052 -48.6501 -10.7492 TIMING: 3281800 CPU: 10254.7, 0.00308099/step Wall: 10254.7, 0.00308099/step, 1.47049 hours remaining, 234.253906 MB of memory in use. ENERGY: 3281800 3961.8242 20379.4349 14412.3811 238.2283 -203202.8395 2827.2890 0.0000 0.0000 51748.8765 -109634.8055 297.4015 -161383.6820 -109271.2561 298.9074 66.5998 86.4767 762364.0279 6.1919 6.0922 PRESSURE: 3282000 -96.9131 199.064 153.5 199.063 145.067 199.681 153.5 199.681 -444.413 GPRESSURE: 3282000 -67.8293 162.168 227.96 239.06 176.272 159.914 128.945 244.812 -425.831 PRESSAVG: 3282000 -35.4756 66.3145 4.57855 66.3145 45.8675 -8.03302 4.57854 -8.0331 -14.0485 GPRESSAVG: 3282000 -36.1125 66.8699 4.84947 67.4547 45.4882 -9.61477 3.85617 -7.43484 -13.1606 TIMING: 3282000 CPU: 10255.4, 0.00307866/step Wall: 10255.4, 0.00307866/step, 1.4692 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3282000 3915.0985 20429.9024 14480.0905 238.8252 -202942.6056 2496.7952 0.0000 0.0000 51939.6629 -109442.2308 298.4980 -161381.8937 -109070.6831 298.7668 -132.0863 -105.7961 763331.7682 -1.2189 -1.2616 PRESSURE: 3282200 -300.003 152.123 148.073 152.123 -32.0423 16.2443 148.073 16.2445 -109.246 GPRESSURE: 3282200 -227.748 146.487 115.216 14.9991 -47.0406 30.9195 191.007 -66.0448 -64.5157 PRESSAVG: 3282200 -67.9723 27.1332 -0.605898 27.1332 9.49458 -54.5929 -0.60594 -54.593 8.43614 GPRESSAVG: 3282200 -67.4105 25.689 -1.90684 27.5511 8.94785 -52.3002 -0.0257039 -55.6208 8.73334 TIMING: 3282200 CPU: 10256, 0.00310856/step Wall: 10256, 0.00310856/step, 1.4833 hours remaining, 234.253906 MB of memory in use. ENERGY: 3282200 3965.0904 20659.2346 14449.7849 226.2177 -202551.7022 2170.3613 0.0000 0.0000 51911.0997 -109169.9138 298.3338 -161081.0135 -108797.2794 299.2331 -147.0973 -113.1015 763754.8990 -16.6805 -16.5764 PRESSURE: 3282400 -173.165 257.515 98.2444 257.515 -198.417 148.872 98.2454 148.873 -273.541 GPRESSURE: 3282400 -44.1057 215.386 93.1837 84.1108 -305.528 170.755 141.743 164.692 -222.439 PRESSAVG: 3282400 5.99375 57.5084 41.9195 57.5084 55.9149 -20.722 41.9195 -20.722 20.3037 GPRESSAVG: 3282400 6.73252 58.7554 41.5372 56.958 55.8326 -22.0263 43.6629 -18.3645 19.1146 TIMING: 3282400 CPU: 10256.6, 0.00311361/step Wall: 10256.6, 0.00311361/step, 1.48554 hours remaining, 234.253906 MB of memory in use. ENERGY: 3282400 4017.4059 20571.1745 14471.2272 229.5164 -203186.9455 2792.0186 0.0000 0.0000 52029.8162 -109075.7868 299.0161 -161105.6030 -108717.4314 300.1253 -215.0410 -190.6909 763707.4858 27.4041 27.2266 PRESSURE: 3282600 156.506 131.322 -136.354 131.322 -353.667 -64.0459 -136.354 -64.047 106.641 GPRESSURE: 3282600 103.623 169.583 -259.263 211.425 -271.813 -45.7727 -177.838 84.0424 135.303 PRESSAVG: 3282600 53.3152 12.0226 9.35168 12.0226 -35.1606 19.8621 9.35166 19.862 15.0275 GPRESSAVG: 3282600 52.9316 14.0394 10.0912 11.1477 -35.0796 20.8248 7.84113 18.752 15.4736 TIMING: 3282600 CPU: 10257.2, 0.00310046/step Wall: 10257.2, 0.00310046/step, 1.47909 hours remaining, 234.253906 MB of memory in use. ENERGY: 3282600 4002.0979 20554.8593 14519.6161 255.3879 -203405.1404 2747.2385 0.0000 0.0000 52305.6187 -109020.3221 300.6011 -161325.9408 -108648.2403 299.7980 -30.1737 -10.9624 761336.1338 11.0607 11.1086 PRESSURE: 3282800 247.709 230.375 58.1522 230.376 -49.3165 -170.879 58.1517 -170.879 -269.94 GPRESSURE: 3282800 184.039 178.472 87.6486 108.358 15.8331 -139.507 83.1648 -180.736 -201.38 PRESSAVG: 3282800 14.0876 -11.3728 -57.307 -11.3727 -43.3685 29.553 -57.307 29.5529 9.39351 GPRESSAVG: 3282800 12.6564 -13.1217 -57.8749 -13.2731 -42.5519 29.5732 -57.5352 28.3616 9.29458 TIMING: 3282800 CPU: 10257.8, 0.00309776/step Wall: 10257.8, 0.00309776/step, 1.47763 hours remaining, 234.253906 MB of memory in use. ENERGY: 3282800 4032.0070 20648.0185 14517.4429 267.0793 -202962.8355 2419.6256 0.0000 0.0000 52074.9813 -109003.6808 299.2756 -161078.6621 -108643.0496 300.0124 -23.8491 -0.5026 761529.1520 -6.6291 -6.8670 PRESSURE: 3283000 -83.8827 -13.146 82.6899 -13.1457 -173.696 -20.6038 82.6911 -20.6045 90.9759 GPRESSURE: 3283000 -79.6399 -58.0704 27.6689 6.14227 -38.1965 -11.6969 151.48 -30.7837 44.891 PRESSAVG: 3283000 -41.7807 2.37297 -33.2499 2.37299 31.338 26.6678 -33.2499 26.6679 -10.5323 GPRESSAVG: 3283000 -41.2464 2.5145 -32.0124 3.69039 30.9541 25.6238 -33.8897 27.8671 -10.2025 TIMING: 3283000 CPU: 10258.5, 0.00308857/step Wall: 10258.5, 0.00308857/step, 1.47307 hours remaining, 234.253906 MB of memory in use. ENERGY: 3283000 4075.1898 20538.1625 14558.2431 261.3198 -202998.5558 2597.8424 0.0000 0.0000 52234.1415 -108733.6567 300.1903 -160967.7982 -108369.5453 300.3041 -55.5343 -24.3151 762621.8902 -6.9916 -6.8316 PRESSURE: 3283200 -38.8217 25.9252 -96.4786 25.9249 -329.737 -143.182 -96.4782 -143.181 0.411011 GPRESSURE: 3283200 57.1242 -88.1407 -117.743 120.629 -308.614 -101.169 -113.404 -236.167 -11.3925 PRESSAVG: 3283200 -32.0757 8.05148 -41.7205 8.05147 -19.263 22.0641 -41.7204 22.0641 -3.63273 GPRESSAVG: 3283200 -32.3255 6.58284 -42.2894 8.58727 -20.4315 23.2576 -41.012 20.4488 -2.55954 TIMING: 3283200 CPU: 10259.1, 0.00310103/step Wall: 10259.1, 0.00310103/step, 1.47885 hours remaining, 234.253906 MB of memory in use. ENERGY: 3283200 3999.4404 20629.3392 14550.1443 243.2367 -203096.1489 2582.5302 0.0000 0.0000 52437.5142 -108653.9437 301.3591 -161091.4579 -108301.8131 300.7342 -122.7158 -87.6275 763578.4055 -18.3238 -18.4388 PRESSURE: 3283400 135.964 52.0648 -76.7487 52.0647 300.874 333.69 -76.7482 333.69 52.1971 GPRESSURE: 3283400 240.824 25.4823 -88.0778 -32.3911 248.539 340.258 -72.9832 228.745 97.3783 PRESSAVG: 3283400 -8.20261 30.3995 -55.174 30.3995 -5.23915 -29.7862 -55.174 -29.7862 1.36727 GPRESSAVG: 3283400 -9.01373 31.2097 -57.3198 31.1064 -4.72567 -29.5679 -54.1232 -27.7427 1.5519 TIMING: 3283400 CPU: 10259.7, 0.00310382/step Wall: 10259.7, 0.00310382/step, 1.48001 hours remaining, 234.253906 MB of memory in use. ENERGY: 3283400 4037.5507 20500.7840 14544.9687 259.6832 -203148.7338 2709.4301 0.0000 0.0000 52089.9265 -109006.3907 299.3615 -161096.3172 -108646.9909 300.1728 163.0117 195.5804 763759.7292 -4.0248 -4.0625 PRESSURE: 3283600 -178.477 -31.6958 47.2259 -31.6955 117.529 5.15275 47.2269 5.15116 -328.584 GPRESSURE: 3283600 -117.496 57.0063 26.5767 -119.851 95.4142 -54.939 78.2702 -60.6415 -280.426 PRESSAVG: 3283600 -8.91403 -3.06062 6.683 -3.06063 26.2911 -7.22439 6.68294 -7.22446 0.28057 GPRESSAVG: 3283600 -8.11853 -1.92729 9.06161 -3.78965 26.7706 -8.28361 5.32097 -7.33774 -0.481697 TIMING: 3283600 CPU: 10260.3, 0.00309666/step Wall: 10260.3, 0.00309666/step, 1.47642 hours remaining, 234.253906 MB of memory in use. ENERGY: 3283600 4020.6772 20472.3357 14552.3269 253.6196 -203183.8166 2478.4078 0.0000 0.0000 52210.1087 -109196.3408 300.0522 -161406.4495 -108834.0863 299.5454 -129.8438 -100.8360 762526.8953 5.8859 6.0568 PRESSURE: 3283800 -416.464 199.552 65.3708 199.551 -187.748 93.4931 65.3704 93.4948 -129.474 GPRESSURE: 3283800 -418.819 231.181 118.02 152.177 -78.0551 104.55 -12.6509 104.114 -140.78 PRESSAVG: 3283800 -8.55822 67.9694 -9.75687 67.9695 -2.54887 2.9877 -9.75687 2.98772 -21.9311 GPRESSAVG: 3283800 -7.92207 66.1928 -9.85624 68.8538 -3.44882 2.62074 -9.81196 3.69503 -21.8121 TIMING: 3283800 CPU: 10260.9, 0.00309592/step Wall: 10260.9, 0.00309592/step, 1.4759 hours remaining, 234.253906 MB of memory in use. ENERGY: 3283800 4041.7861 20550.1439 14475.6439 244.2016 -202997.0318 2496.0832 0.0000 0.0000 52004.0302 -109185.1430 298.8679 -161189.1732 -108824.4484 299.5324 -244.5619 -212.5513 762923.3277 -11.0127 -11.0610 PRESSURE: 3284000 -488.283 177.673 18.6854 177.673 -147.346 11.1315 18.6848 11.1311 74.1882 GPRESSURE: 3284000 -530.442 195.198 7.39057 224.415 -88.7737 81.0559 -58.3305 -2.58556 125.246 PRESSAVG: 3284000 -5.34261 15.984 -4.54247 15.9841 -5.41604 21.2685 -4.54241 21.2685 13.6714 GPRESSAVG: 3284000 -5.64005 15.6685 -3.89531 15.5379 -4.87358 20.9989 -6.90765 21.2098 13.3228 TIMING: 3284000 CPU: 10261.6, 0.00309141/step Wall: 10261.6, 0.00309141/step, 1.47357 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3284000 3885.6829 20647.3843 14426.1207 261.4980 -202750.1009 2068.2466 0.0000 0.0000 52103.0442 -109358.1242 299.4369 -161461.1684 -108989.5876 298.9424 -187.1469 -164.6567 763122.1478 0.9709 0.9364 PRESSURE: 3284200 -2.42887 345.327 -52.3401 345.327 -43.5192 -9.96556 -52.3404 -9.96677 121.514 GPRESSURE: 3284200 44.5637 238.433 90.6199 405.604 -34.2911 -51.6272 -80.3541 34.0116 133.545 PRESSAVG: 3284200 58.7929 9.63482 -9.53059 9.63487 -67.5414 46.3598 -9.53053 46.3598 4.85348 GPRESSAVG: 3284200 57.9239 11.7582 -10.6304 10.0837 -67.6626 45.8529 -9.47425 44.8445 5.18874 TIMING: 3284200 CPU: 10262.2, 0.00307902/step Wall: 10262.2, 0.00307902/step, 1.4675 hours remaining, 234.253906 MB of memory in use. ENERGY: 3284200 4051.0841 20535.3142 14449.0500 258.2931 -203586.9831 2856.3070 0.0000 0.0000 51932.7960 -109504.1388 298.4585 -161436.9348 -109145.0515 298.9937 25.1886 47.9392 761357.6815 -1.2983 -1.5166 LDB: ============= START OF LOAD BALANCING ============== 10274.7 LDB: ============== END OF LOAD BALANCING =============== 10274.7 LDB: =============== DONE WITH MIGRATION ================ 10274.7 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 10275 LDB: Largest compute 7007 load 0.028551 is 14.6% of average load 0.195273 LDB: Average compute 0.004379 is 2.2% of average load 0.195273 LDB: TIME 10275 LOAD: AVG 0.195273 MAX 0.214843 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.164 MB LDB: TIME 10275 LOAD: AVG 0.195273 MAX 0.214843 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.164 MB LDB: TIME 10275 LOAD: AVG 0.195273 MAX 0.214843 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.164 MB LDB: ============== END OF LOAD BALANCING =============== 10275 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 PRESSURE: 3284400 41.7859 25.9697 -61.5564 25.9704 -139.644 -112.999 -61.557 -112.998 -68.7254 GPRESSURE: 3284400 90.7034 54.1531 -30.3369 50.641 -132.468 -155.467 39.4188 -135.948 -48.5129 PRESSAVG: 3284400 33.4579 38.7011 20.3965 38.701 -59.937 -5.68381 20.3965 -5.68376 8.44793 GPRESSAVG: 3284400 33.2755 38.589 19.926 38.0465 -59.3906 -5.34217 21.6783 -4.69909 7.44608 TIMING: 3284400 CPU: 10262.8, 0.00314851/step Wall: 10262.8, 0.00314851/step, 1.50044 hours remaining, 234.511719 MB of memory in use. ENERGY: 3284400 4059.0286 20570.4734 14437.0063 255.3896 -203773.6371 2848.5986 0.0000 0.0000 51868.0583 -109735.0823 298.0864 -161603.1406 -109372.2268 298.3001 -55.5277 -30.0925 761221.5406 -6.0104 -6.2230 PRESSURE: 3284600 127.234 119.168 145.048 119.168 180.55 99.6614 145.048 99.6611 234.185 GPRESSURE: 3284600 158.878 66.7378 117.284 19.1875 192.156 1.51718 97.482 326.822 254.106 PRESSAVG: 3284600 60.0862 -15.1721 31.3362 -15.172 -49.8646 25.1827 31.3361 25.1827 15.7837 GPRESSAVG: 3284600 60.068 -15.2853 30.502 -15.091 -50.0628 25.3043 32.5239 25.8046 15.6671 TIMING: 3284600 CPU: 10263.4, 0.00308697/step Wall: 10263.4, 0.00308697/step, 1.47094 hours remaining, 234.511719 MB of memory in use. ENERGY: 3284600 3969.8481 20515.3800 14473.4182 246.9031 -203807.2368 2753.7303 0.0000 0.0000 51991.2322 -109856.7249 298.7943 -161847.9570 -109495.3184 298.1812 180.6562 201.7134 760250.4688 8.6684 8.5574 PRESSURE: 3284800 44.9275 17.1694 32.6315 17.1693 -67.0484 -137.168 32.6312 -137.166 -162.034 GPRESSURE: 3284800 68.1832 -28.3185 57.8084 20.177 -46.6646 -60.1446 46.965 -173.478 -128.663 PRESSAVG: 3284800 6.57855 -19.1491 -1.53929 -19.1491 -35.3671 11.2625 -1.53934 11.2625 26.3571 GPRESSAVG: 3284800 5.76166 -19.945 -1.48686 -19.445 -34.9812 12.7151 -1.7201 9.2522 26.6544 TIMING: 3284800 CPU: 10264, 0.00308857/step Wall: 10264, 0.00308857/step, 1.47153 hours remaining, 234.511719 MB of memory in use. ENERGY: 3284800 4005.0987 20480.8470 14409.1729 244.8276 -203744.1203 2702.2900 0.0000 0.0000 51894.2399 -110007.6442 298.2369 -161901.8841 -109645.6937 297.9356 -61.3851 -35.7147 761325.6829 -0.8105 -0.8550 PRESSURE: 3285000 516.627 -34.635 -67.7143 -34.6346 -154.949 -77.1404 -67.7134 -77.1406 -220.494 GPRESSURE: 3285000 541.538 151.826 -82.2294 -55.477 -133.576 -87.3516 -31.3023 -88.888 -192.004 PRESSAVG: 3285000 6.75131 -8.97317 32.3618 -8.97316 -31.5824 -40.1737 32.3618 -40.1736 -29.2564 GPRESSAVG: 3285000 7.23295 -5.80481 33.4778 -9.32493 -32.5703 -39.9587 29.5089 -38.4776 -28.3449 TIMING: 3285000 CPU: 10264.7, 0.00308513/step Wall: 10264.7, 0.00308513/step, 1.46972 hours remaining, 234.511719 MB of memory in use. ENERGY: 3285000 3948.1305 20471.5697 14424.0369 260.0392 -203765.4728 2761.1460 0.0000 0.0000 52022.2361 -109878.3144 298.9725 -161900.5505 -109518.8737 297.9457 47.0613 71.9860 760235.9837 -18.0292 -17.8941 PRESSURE: 3285200 169.551 -37.7521 -58.2308 -37.7511 357.119 -16.0313 -58.2312 -16.0295 81.4486 GPRESSURE: 3285200 188.711 -67.8573 20.2275 26.8463 425.929 9.57614 -46.7011 10.1864 80.6308 PRESSAVG: 3285200 -28.8919 7.86314 -9.34798 7.86318 52.051 47.6622 -9.34798 47.6623 -5.85346 GPRESSAVG: 3285200 -28.395 7.20818 -7.2488 8.99117 52.0272 45.9562 -7.67704 46.158 -6.47148 TIMING: 3285200 CPU: 10265.3, 0.00309221/step Wall: 10265.3, 0.00309221/step, 1.47292 hours remaining, 234.511719 MB of memory in use. ENERGY: 3285200 3969.9571 20418.0700 14468.1894 246.2417 -203444.9555 2731.3124 0.0000 0.0000 51976.8673 -109634.3176 298.7118 -161611.1849 -109273.2866 298.5996 202.7062 231.7569 760016.0772 5.7686 5.7202 PRESSURE: 3285400 161.051 68.6398 -328.858 68.6393 296.704 -124.019 -328.858 -124.019 -84.2076 GPRESSURE: 3285400 178.66 5.85346 -301.283 13.6788 278.367 -103.556 -170.906 -16.6702 -9.73194 PRESSAVG: 3285400 -46.3941 7.50188 25.0039 7.50193 50.7246 20.0979 25.0039 20.0979 1.30376 GPRESSAVG: 3285400 -47.4938 6.94833 22.9793 7.37263 51.5311 20.885 25.3581 21.4855 1.52061 TIMING: 3285400 CPU: 10265.9, 0.00311561/step Wall: 10265.9, 0.00311561/step, 1.48389 hours remaining, 234.511719 MB of memory in use. ENERGY: 3285400 3978.7892 20681.8859 14504.6363 259.9124 -203913.5473 3038.0053 0.0000 0.0000 51721.4086 -109728.9097 297.2436 -161450.3183 -109375.8645 298.8661 124.5157 149.0983 759293.8470 1.8781 1.8526 PRESSURE: 3285600 -271.782 221.258 -106.335 221.257 276.206 -6.17497 -106.335 -6.17547 -170.146 GPRESSURE: 3285600 -206.321 96.2394 -0.212955 210.116 242.991 -40.096 -107.712 44.7872 -117.582 PRESSAVG: 3285600 -32.6694 33.7042 43.8014 33.7043 48.7417 29.8222 43.8015 29.8222 2.7178 GPRESSAVG: 3285600 -31.8519 33.9558 45.412 31.7513 48.7058 30.1034 41.9526 31.0515 1.96643 TIMING: 3285600 CPU: 10266.5, 0.00309018/step Wall: 10266.5, 0.00309018/step, 1.47161 hours remaining, 234.511719 MB of memory in use. ENERGY: 3285600 3999.4334 20434.6866 14384.1005 238.9489 -203454.7140 2657.9596 0.0000 0.0000 52120.6443 -109618.9408 299.5381 -161739.5851 -109247.5254 298.6352 -55.2408 -26.9708 760590.6243 6.2634 6.2734 PRESSURE: 3285800 12.0342 -101.096 39.4308 -101.097 -319.581 72.5559 39.4304 72.557 -463.695 GPRESSURE: 3285800 84.635 -193.724 96.2903 -28.9229 -315.056 -4.79574 27.8569 220.811 -449.937 PRESSAVG: 3285800 -52.4415 8.02936 9.47221 8.02941 55.4479 50.9944 9.47218 50.9943 14.8672 GPRESSAVG: 3285800 -52.7712 4.7713 8.44499 11.3202 55.0367 52.4679 10.7521 48.6247 16.1464 TIMING: 3285800 CPU: 10267.1, 0.00309627/step Wall: 10267.1, 0.00309627/step, 1.47434 hours remaining, 234.511719 MB of memory in use. ENERGY: 3285800 3976.9885 20364.8932 14393.8740 247.6260 -203263.8126 2473.4531 0.0000 0.0000 52140.4031 -109666.5746 299.6516 -161806.9777 -109307.1536 298.6664 -257.0807 -226.7863 763326.0630 5.9579 6.1373 PRESSURE: 3286000 -76.5637 -50.035 -34.8277 -50.0345 -152.241 235.02 -34.8285 235.02 -73.67 GPRESSURE: 3286000 -24.2492 -99.269 16.6962 154.349 -113.639 268.062 -21.3657 263.904 -58.6854 PRESSAVG: 3286000 47.3709 48.6451 -25.5966 48.6451 -19.0462 -41.3491 -25.5967 -41.3491 11.9504 GPRESSAVG: 3286000 46.9927 47.9481 -25.8849 47.4313 -17.4205 -42.7484 -24.1011 -41.7589 11.2073 TIMING: 3286000 CPU: 10267.8, 0.00312302/step Wall: 10267.8, 0.00312302/step, 1.4869 hours remaining, 234.511719 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: 3286000 3927.4619 20408.8815 14349.9518 265.7841 -203288.8324 2723.7695 0.0000 0.0000 51933.3188 -109679.6648 298.4615 -161612.9836 -109314.6600 298.2947 -100.8251 -65.5246 764921.7165 13.4250 13.5932 PRESSURE: 3286200 99.0829 -187.5 -14.381 -187.5 62.3431 -229.03 -14.3821 -229.03 402.14 GPRESSURE: 3286200 153.32 -75.0161 -86.5912 -262.07 57.1003 -215.661 -178.358 -184.122 421.911 PRESSAVG: 3286200 -18.3203 -53.7809 10.1367 -53.7809 25.1734 -95.0936 10.1366 -95.0936 -2.40788 GPRESSAVG: 3286200 -17.5874 -53.0395 10.951 -51.7079 23.1886 -94.4262 6.89151 -95.102 -1.80893 TIMING: 3286200 CPU: 10268.4, 0.00311758/step Wall: 10268.4, 0.00311758/step, 1.48414 hours remaining, 234.511719 MB of memory in use. ENERGY: 3286200 3986.3680 20421.0853 14533.8142 224.4362 -203467.4768 2969.4165 0.0000 0.0000 51910.8015 -109421.5550 298.3321 -161332.3565 -109067.0742 298.6218 187.8552 210.7773 762630.6756 1.4817 1.2641 PRESSURE: 3286400 71.0485 -34.9354 -106.95 -34.9355 17.3621 15.5612 -106.95 15.5617 283.222 GPRESSURE: 3286400 102.082 -95.5946 -60.2292 -94.8715 85.906 -9.1702 -1.55123 -7.0568 269.427 PRESSAVG: 3286400 28.5184 -35.1348 -25.0807 -35.1348 -5.21781 29.1402 -25.0808 29.1402 16.178 GPRESSAVG: 3286400 28.6714 -33.8799 -24.9099 -39.2871 -5.20144 27.8848 -23.3261 29.5786 15.7219 TIMING: 3286400 CPU: 10269, 0.00309114/step Wall: 10269, 0.00309114/step, 1.47138 hours remaining, 234.511719 MB of memory in use. ENERGY: 3286400 3957.0613 20489.1183 14450.2780 227.6924 -203928.5806 3118.5944 0.0000 0.0000 51963.7015 -109722.1348 298.6361 -161685.8363 -109359.2834 298.6254 123.8775 152.4716 763121.1426 13.1595 13.0640 PRESSURE: 3286600 -176.574 10.7849 74.8224 10.7857 -149.835 214.768 74.8223 214.769 -137.415 GPRESSURE: 3286600 -109.847 86.1937 -17.0551 -20.8478 -176.496 73.2392 -79.7375 78.9571 -105.364 PRESSAVG: 3286600 -27.2794 -50.8359 20.2923 -50.8359 -15.5049 -25.5847 20.2923 -25.5847 -1.10128 GPRESSAVG: 3286600 -26.9185 -50.4947 19.5334 -48.3983 -15.9092 -25.1905 20.8959 -24.8187 -0.482387 TIMING: 3286600 CPU: 10269.6, 0.00310218/step Wall: 10269.6, 0.00310218/step, 1.47646 hours remaining, 234.511719 MB of memory in use. ENERGY: 3286600 4020.7157 20504.4954 14527.5179 253.2545 -203337.1661 2714.2480 0.0000 0.0000 51749.8494 -109567.0852 297.4071 -161316.9346 -109214.3655 298.1411 -154.6079 -130.5687 762144.0213 -14.6285 -14.4367 PRESSURE: 3286800 -116.352 68.5153 -57.2406 68.5153 363.281 -68.6652 -57.24 -68.6655 203.153 GPRESSURE: 3286800 -32.4837 84.9206 -116.51 92.0067 375.042 -152.544 17.5428 -152.234 180.186 PRESSAVG: 3286800 5.7361 -8.29313 34.1993 -8.29311 4.92693 -37.7164 34.1993 -37.7165 -19.0712 GPRESSAVG: 3286800 6.88796 -7.78224 34.4276 -9.82221 5.05067 -39.2195 32.5314 -38.3238 -20.3046 TIMING: 3286800 CPU: 10270.2, 0.00309364/step Wall: 10270.2, 0.00309364/step, 1.47223 hours remaining, 234.511719 MB of memory in use. ENERGY: 3286800 3943.4236 20476.5314 14517.4466 267.1115 -203502.6031 2911.4524 0.0000 0.0000 51831.3454 -109555.2920 297.8755 -161386.6374 -109197.1898 298.2565 150.0274 174.2478 762291.2657 -2.8027 -2.7887 PRESSURE: 3287000 -355.398 -6.82275 68.3361 -6.82324 -71.6006 -290.77 68.3366 -290.77 -102.267 GPRESSURE: 3287000 -324.034 -32.718 22.1592 17.3038 -46.2744 -241.974 41.4699 -193.769 -78.0975 PRESSAVG: 3287000 -33.3699 15.05 29.4558 15.0499 66.4753 -37.1308 29.4558 -37.1307 -0.844214 GPRESSAVG: 3287000 -32.7321 13.3949 29.6422 16.9468 67.4737 -34.4002 31.2966 -36.997 -2.37588 TIMING: 3287000 CPU: 10270.9, 0.00310211/step Wall: 10270.9, 0.00310211/step, 1.47609 hours remaining, 234.511719 MB of memory in use. ENERGY: 3287000 4023.7748 20348.7880 14447.1786 249.7948 -203285.7551 2551.8202 0.0000 0.0000 51938.6258 -109725.7728 298.4920 -161664.3986 -109377.0373 298.5067 -176.4221 -149.4686 762967.2252 10.7537 10.7886 PRESSURE: 3287200 255.056 -17.7504 163.788 -17.7502 -48.0516 -78.7039 163.788 -78.7039 -381.793 GPRESSURE: 3287200 240.252 -6.04025 115.278 -80.8422 20.1131 -107.798 148.613 78.4923 -343.382 PRESSAVG: 3287200 -33.7893 29.1487 56.2497 29.1486 42.977 -40.55 56.2497 -40.55 8.42621 GPRESSAVG: 3287200 -36.3571 30.0838 57.1656 28.5469 42.8674 -41.7046 56.6959 -38.641 11.2567 TIMING: 3287200 CPU: 10271.5, 0.00311244/step Wall: 10271.5, 0.00311244/step, 1.48083 hours remaining, 234.511719 MB of memory in use. ENERGY: 3287200 4022.0975 20620.7841 14468.0793 238.9196 -203412.8388 2698.6947 0.0000 0.0000 51679.9742 -109684.2893 297.0055 -161364.2635 -109327.3009 298.1836 -58.2630 -27.6721 761033.1750 5.8713 5.9223 PRESSURE: 3287400 -183.491 42.9089 72.4412 42.9096 -87.1115 117.772 72.4415 117.77 122.873 GPRESSURE: 3287400 -129.752 68.6192 90.3743 84.7301 -31.0886 53.6479 25.6673 199.474 125.3 PRESSAVG: 3287400 -8.35167 2.76009 -47.2405 2.76003 23.8735 -15.3733 -47.2404 -15.3733 30.053 GPRESSAVG: 3287400 -7.62299 3.02882 -48.4322 2.03633 23.54 -14.1684 -48.964 -17.0574 29.9153 TIMING: 3287400 CPU: 10272.1, 0.00310992/step Wall: 10272.1, 0.00310992/step, 1.47946 hours remaining, 234.511719 MB of memory in use. ENERGY: 3287400 4007.3111 20450.1809 14470.1124 249.9152 -202940.2246 2472.8035 0.0000 0.0000 52022.3020 -109267.5995 298.9729 -161289.9015 -108904.7725 298.7640 -49.2433 -11.8467 762054.9799 15.1916 15.2774 PRESSURE: 3287600 38.5008 -51.6077 -59.6088 -51.6073 2.57111 -4.8444 -59.6087 -4.84317 -74.9716 GPRESSURE: 3287600 42.6975 41.8541 -57.48 -86.7744 74.8051 102.79 -97.399 -226.226 -68.6267 PRESSAVG: 3287600 -14.0705 19.5218 4.19535 19.5218 6.40642 -7.41905 4.19535 -7.41905 -6.31169 GPRESSAVG: 3287600 -14.5747 20.674 4.74611 19.3235 8.02259 -8.94165 5.73102 -6.15 -7.38754 TIMING: 3287600 CPU: 10272.7, 0.00312363/step Wall: 10272.7, 0.00312363/step, 1.48581 hours remaining, 234.511719 MB of memory in use. ENERGY: 3287600 4022.6504 20444.1606 14463.8653 253.2271 -203949.7850 3042.3172 0.0000 0.0000 52239.1882 -109484.3763 300.2193 -161723.5644 -109123.1483 299.2388 -11.2999 16.2920 762382.7458 -4.6586 -4.6466 PRESSURE: 3287800 -112.557 -18.4674 -255.578 -18.4678 -303.66 48.0641 -255.578 48.0644 279.631 GPRESSURE: 3287800 -44.4783 -139.296 -166.785 -80.9906 -249.959 128.448 -258.154 53.1711 241.788 PRESSAVG: 3287800 1.45392 10.0486 -48.9352 10.0485 -15.3602 8.69093 -48.9352 8.69094 -4.25052 GPRESSAVG: 3287800 0.417678 10.0065 -48.605 10.8775 -15.6693 9.40975 -49.7594 8.08441 -3.49566 TIMING: 3287800 CPU: 10273.4, 0.0031061/step Wall: 10273.4, 0.0031061/step, 1.47729 hours remaining, 234.511719 MB of memory in use. ENERGY: 3287800 4084.2422 20690.3551 14474.1550 256.0374 -203843.1898 3070.7951 0.0000 0.0000 51651.1434 -109616.4616 296.8398 -161267.6050 -109262.2374 298.9031 -45.5288 -17.5499 763167.3440 -6.0523 -6.2491 PRESSURE: 3288000 41.0285 -85.9515 102.797 -85.952 -152.223 -19.2294 102.796 -19.2296 -114.749 GPRESSURE: 3288000 82.4463 -14.0239 95.2671 13.0222 -25.6135 24.7661 42.7267 37.5964 -205.556 PRESSAVG: 3288000 -36.5669 -0.221907 14.1951 -0.221896 22.7017 13.8297 14.1951 13.8297 8.67826 GPRESSAVG: 3288000 -35.7164 -1.76321 13.8928 -1.03232 21.6757 12.4595 15.677 14.2429 8.70327 TIMING: 3288000 CPU: 10274, 0.00309792/step Wall: 10274, 0.00309792/step, 1.47323 hours remaining, 234.511719 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: 3288000 3944.0297 20548.2647 14415.8567 255.2361 -203496.7359 2675.2297 0.0000 0.0000 51749.7580 -109908.3610 297.4066 -161658.1189 -109552.5737 298.4584 -75.3145 -49.5745 763061.1269 -1.7290 -1.7792 PRESSURE: 3288200 156.52 -28.8504 -3.8665 -28.8503 -174.378 80.8342 -3.86644 80.834 75.1968 GPRESSURE: 3288200 153.539 6.13752 -17.7051 -35.0872 -92.2547 14.9485 -20.6171 58.9069 77.508 PRESSAVG: 3288200 4.85849 30.0818 51.7737 30.0818 -19.1691 15.379 51.7737 15.3789 7.79921 GPRESSAVG: 3288200 3.87358 33.0047 52.5386 29.4532 -17.1057 15.8049 50.5688 16.4748 6.90738 TIMING: 3288200 CPU: 10274.6, 0.00310294/step Wall: 10274.6, 0.00310294/step, 1.47545 hours remaining, 234.511719 MB of memory in use. ENERGY: 3288200 4026.5854 20512.8477 14464.9075 245.1182 -203973.8110 2985.5719 0.0000 0.0000 51855.0311 -109883.7492 298.0116 -161738.7803 -109530.1225 298.3097 19.1128 46.2642 761210.9946 -2.1705 -2.1082 LDB: ============= START OF LOAD BALANCING ============== 10287.1 LDB: ============== END OF LOAD BALANCING =============== 10287.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10287.1 LDB: ============= START OF LOAD BALANCING ============== 10287.4 LDB: Largest compute 6998 load 0.028807 is 14.8% of average load 0.195169 LDB: Average compute 0.004393 is 2.3% of average load 0.195169 LDB: TIME 10287.4 LOAD: AVG 0.195169 MAX 0.21937 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.051 MB LDB: TIME 10287.4 LOAD: AVG 0.195169 MAX 0.21937 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.051 MB LDB: TIME 10287.4 LOAD: AVG 0.195169 MAX 0.215365 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.051 MB LDB: ============== END OF LOAD BALANCING =============== 10287.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10287.4 PRESSURE: 3288400 2.59966 37.7252 60.7469 37.7246 -46.6485 -58.1895 60.7476 -58.1894 -211.112 GPRESSURE: 3288400 -15.9571 40.9398 33.813 116.575 -11.6918 -7.57665 5.37013 -4.16724 -146.713 PRESSAVG: 3288400 15.0145 -12.8062 15.0659 -12.8062 -24.6707 -21.2212 15.0659 -21.2213 2.85395 GPRESSAVG: 3288400 15.7753 -14.6274 11.8532 -11.5293 -26.1194 -19.5359 15.5441 -23.2233 3.59994 TIMING: 3288400 CPU: 10275.2, 0.00316657/step Wall: 10275.2, 0.00316657/step, 1.50553 hours remaining, 233.539062 MB of memory in use. ENERGY: 3288400 3966.6734 20543.2124 14460.3091 256.6222 -203407.9917 2823.9054 0.0000 0.0000 51537.1708 -109820.0984 296.1848 -161357.2692 -109471.2616 297.7806 -85.0536 -58.1207 763171.4065 -2.2674 -2.2480 PRESSURE: 3288600 -149.703 -215.726 -81.3304 -215.726 -62.0571 112.932 -81.3301 112.932 -54.351 GPRESSURE: 3288600 -165.319 -180.688 -76.5171 -181.153 -23.5097 68.6115 -58.5058 117.987 13.1136 PRESSAVG: 3288600 -9.65895 50.1473 -6.87745 50.1473 -3.8052 2.2018 -6.87741 2.20182 18.2838 GPRESSAVG: 3288600 -8.51393 52.2243 -4.79308 48.8856 -3.98019 1.15936 -6.96736 2.95953 17.6054 TIMING: 3288600 CPU: 10275.9, 0.00310436/step Wall: 10275.9, 0.00310437/step, 1.47578 hours remaining, 233.539062 MB of memory in use. ENERGY: 3288600 3997.7425 20281.8896 14485.9238 232.9327 -203437.3407 2896.0304 0.0000 0.0000 51980.9832 -109561.8384 298.7354 -161542.8216 -109205.8027 298.7394 -88.7037 -58.5718 762707.8696 1.6066 1.7038 PRESSURE: 3288800 -531.784 128.076 3.91474 128.076 14.6747 153.655 3.91411 153.657 -124.723 GPRESSURE: 3288800 -428.433 176.534 37.6677 48.7034 -35.3564 143.288 1.62481 140.38 -111.739 PRESSAVG: 3288800 -29.5128 -2.77128 56.5664 -2.77129 28.3931 -38.8235 56.5665 -38.8236 7.74677 GPRESSAVG: 3288800 -30.4962 -3.89462 56.5896 -0.950671 28.2603 -40.3496 56.201 -39.4291 8.51657 TIMING: 3288800 CPU: 10276.5, 0.0031112/step Wall: 10276.5, 0.0031112/step, 1.47886 hours remaining, 233.539062 MB of memory in use. ENERGY: 3288800 3917.3730 20465.4948 14398.1601 244.1594 -203066.9535 2511.3200 0.0000 0.0000 51680.3833 -109850.0629 297.0079 -161530.4462 -109487.2206 298.1411 -213.9442 -191.8430 763757.2283 2.2090 2.0936 PRESSURE: 3289000 96.6202 173.051 -173.062 173.051 -136.491 189.711 -173.061 189.712 37.1241 GPRESSURE: 3289000 107.931 178.164 -246.046 170.422 -103.332 209.362 -165.093 57.1332 79.0992 PRESSAVG: 3289000 -41.3866 25.6621 13.4458 25.6622 47.5885 -82.4111 13.4457 -82.411 -0.382921 GPRESSAVG: 3289000 -41.73 24.7977 13.2764 25.2925 47.2189 -81.0761 12.712 -83.8968 -0.14313 TIMING: 3289000 CPU: 10277.1, 0.00310885/step Wall: 10277.1, 0.00310885/step, 1.47757 hours remaining, 233.539062 MB of memory in use. ENERGY: 3289000 3976.8476 20431.0068 14394.4281 268.4859 -203461.8543 2636.2871 0.0000 0.0000 51951.6102 -109803.1887 298.5666 -161754.7988 -109440.0526 297.9307 -0.9157 27.8993 761980.6572 1.9397 1.7819 PRESSURE: 3289200 -136.758 145.397 63.0054 145.397 -58.0753 80.5021 63.0057 80.5011 287.52 GPRESSURE: 3289200 -108.464 96.6569 101.974 103.064 0.291729 18.3632 79.8001 203.933 265.508 PRESSAVG: 3289200 -70.6805 88.6248 82.8306 88.6247 41.4875 -15.4709 82.8306 -15.4709 21.4027 GPRESSAVG: 3289200 -70.5826 89.7722 83.579 88.5779 42.0434 -15.8325 79.221 -11.8004 20.7036 TIMING: 3289200 CPU: 10277.7, 0.00311173/step Wall: 10277.7, 0.00311173/step, 1.47876 hours remaining, 233.539062 MB of memory in use. ENERGY: 3289200 3965.6819 20597.8770 14391.8124 244.3996 -203439.3370 2728.3895 0.0000 0.0000 51934.0830 -109577.0936 298.4659 -161511.1766 -109226.7210 297.9211 30.8956 52.4452 762628.7093 -2.5968 -2.6119 PRESSURE: 3289400 205.555 238.964 209.147 238.963 73.356 -235.153 209.146 -235.153 187.235 GPRESSURE: 3289400 189.2 306.52 267.416 268.236 147.259 -246.346 179.895 -32.6453 207.886 PRESSAVG: 3289400 14.9014 66.6193 57.4099 66.6194 8.97178 -28.1278 57.4099 -28.1278 5.65968 GPRESSAVG: 3289400 15.6655 67.0618 56.5885 65.8274 8.3779 -26.5631 61.9141 -29.8731 4.94358 TIMING: 3289400 CPU: 10278.3, 0.00310555/step Wall: 10278.3, 0.00310555/step, 1.47565 hours remaining, 233.539062 MB of memory in use. ENERGY: 3289400 3963.6286 20482.4887 14400.9264 263.2887 -203466.9147 2754.3329 0.0000 0.0000 51919.7633 -109682.4861 298.3836 -161602.2494 -109319.8227 298.7109 155.3819 181.4484 763789.2895 9.8443 9.6623 PRESSURE: 3289600 -135.498 135.079 -124.699 135.079 -195.134 -259.277 -124.7 -259.277 -127.119 GPRESSURE: 3289600 -35.6372 134.798 -214.276 128.418 -184.82 -175.61 -97.6366 -149.98 -150.539 PRESSAVG: 3289600 -29.7815 37.4666 60.6136 37.4666 7.72269 12.4963 60.6136 12.4963 -8.21957 GPRESSAVG: 3289600 -30.6413 36.7602 59.807 37.0346 6.83516 11.6061 58.4089 14.1138 -6.5 TIMING: 3289600 CPU: 10279, 0.003107/step Wall: 10279, 0.003107/step, 1.47617 hours remaining, 233.539062 MB of memory in use. ENERGY: 3289600 3993.1536 20445.5252 14424.2154 250.0359 -203396.8942 2570.3560 0.0000 0.0000 51890.4611 -109823.1470 298.2152 -161713.6081 -109463.5963 298.2924 -152.5836 -123.6653 762424.3157 -10.0928 -10.1021 PRESSURE: 3289800 -90.6632 31.8869 -268.002 31.8875 -169.254 -20.4939 -268.002 -20.494 -155.148 GPRESSURE: 3289800 -54.8688 -35.1731 -204.961 -66.272 -98.5539 29.8056 -212.681 -145.559 -153.694 PRESSAVG: 3289800 23.5171 -22.4089 -29.6762 -22.409 -34.9757 -13.1891 -29.6762 -13.1891 8.75126 GPRESSAVG: 3289800 24.1716 -22.9915 -27.9021 -21.9679 -34.5471 -13.0055 -28.2043 -13.5366 7.73044 TIMING: 3289800 CPU: 10279.6, 0.0031065/step Wall: 10279.6, 0.0031065/step, 1.47576 hours remaining, 233.539062 MB of memory in use. ENERGY: 3289800 4065.2891 20535.4121 14357.5074 240.1881 -203449.1464 2630.3550 0.0000 0.0000 51891.2883 -109729.1064 298.2199 -161620.3946 -109372.2266 298.8329 -138.3552 -102.3723 763084.9321 -0.9025 -0.8817 PRESSURE: 3290000 75.3475 201.11 141.401 201.111 -111.397 -103.011 141.4 -103.011 -68.5592 GPRESSURE: 3290000 67.6759 129.478 141.061 174.765 -39.354 -23.2714 208.911 -131.311 -41.7593 PRESSAVG: 3290000 68.4067 11.6245 -5.88298 11.6246 -32.9774 -47.5919 -5.88303 -47.5919 10.0408 GPRESSAVG: 3290000 68.5134 11.1846 -7.72842 12.7247 -32.368 -46.8927 -4.50147 -50.5165 9.641 TIMING: 3290000 CPU: 10280.2, 0.00310689/step Wall: 10280.2, 0.00310689/step, 1.47577 hours remaining, 233.539062 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: 3290000 4029.4466 20403.4440 14417.3155 236.5125 -203511.0317 2692.9868 0.0000 0.0000 52196.9878 -109534.3384 299.9768 -161731.3263 -109163.5673 298.9374 -34.8696 -4.4791 762605.9557 15.1567 15.2621 PRESSURE: 3290200 31.1178 180.017 -45.8346 180.016 -294.669 209.249 -45.8341 209.249 -210.205 GPRESSURE: 3290200 145.766 181.434 -63.8089 101.499 -270.829 128.036 15.083 241.638 -278.93 PRESSAVG: 3290200 18.2899 38.2713 21.3833 38.2713 -47.5814 69.0644 21.3834 69.0645 1.9569 GPRESSAVG: 3290200 18.3942 38.8625 21.5763 38.0282 -47.7623 67.3802 19.8417 68.5008 1.89867 TIMING: 3290200 CPU: 10280.8, 0.00310909/step Wall: 10280.8, 0.00310909/step, 1.47664 hours remaining, 233.539062 MB of memory in use. ENERGY: 3290200 4066.8099 20599.1530 14468.7757 240.0943 -203560.3165 2731.5255 0.0000 0.0000 51942.7915 -109511.1665 298.5159 -161453.9581 -109149.3037 298.8855 -157.9186 -134.6645 762337.8419 -9.1116 -9.1565 PRESSURE: 3290400 173.99 -208.198 -105.162 -208.198 -41.3148 -153.133 -105.162 -153.133 -161.053 GPRESSURE: 3290400 98.8197 -251.692 -84.7945 -149.709 42.78 -218.939 -48.5997 -140.183 -80.3933 PRESSAVG: 3290400 100.555 30.8177 0.1001 30.8177 -23.1808 -4.58018 0.100156 -4.58021 30.8394 GPRESSAVG: 3290400 100.518 30.8624 0.411472 30.2054 -23.8013 -4.25341 0.0860485 -1.96821 31.0017 TIMING: 3290400 CPU: 10281.4, 0.00310372/step Wall: 10281.4, 0.00310372/step, 1.47392 hours remaining, 233.539062 MB of memory in use. ENERGY: 3290400 3940.0793 20584.6213 14367.3172 220.2071 -203230.1167 2677.6045 0.0000 0.0000 51943.3268 -109496.9605 298.5190 -161440.2873 -109133.3931 299.2622 -9.4592 20.4021 762867.3298 36.0712 35.9063 PRESSURE: 3290600 -330.457 -52.4576 -11.5 -52.4586 -31.7927 140.861 -11.4998 140.862 355.234 GPRESSURE: 3290600 -261.033 59.6051 39.0037 -75.1575 36.4173 99.2317 -113.544 83.3079 305.322 PRESSAVG: 3290600 61.2265 -9.32985 4.80977 -9.32983 -0.253985 -21.0626 4.8097 -21.0627 3.58152 GPRESSAVG: 3290600 60.677 -9.23386 5.29952 -9.12763 0.625375 -20.6637 3.41151 -20.8957 4.32364 TIMING: 3290600 CPU: 10282.1, 0.00307756/step Wall: 10282.1, 0.00307756/step, 1.46133 hours remaining, 233.539062 MB of memory in use. ENERGY: 3290600 4028.2286 20464.1076 14447.5123 250.5556 -203557.9375 2871.7922 0.0000 0.0000 52058.8498 -109436.8913 299.1829 -161495.7411 -109059.7289 299.1483 -2.3386 26.9019 762015.1610 21.5180 21.8753 PRESSURE: 3290800 -272.838 86.8622 19.7765 86.8611 286.615 -112.001 19.7761 -112.001 -159.047 GPRESSURE: 3290800 -238.012 32.8447 -13.2328 55.5179 295.69 -56.9727 51.564 -121.605 -143.024 PRESSAVG: 3290800 -73.4971 1.13206 13.8765 1.13204 34.6056 1.34369 13.8765 1.34376 9.43282 GPRESSAVG: 3290800 -71.883 0.50482 14.4502 2.14877 33.6507 1.09693 15.3078 0.595823 8.44028 TIMING: 3290800 CPU: 10282.7, 0.00310038/step Wall: 10282.7, 0.00310038/step, 1.47199 hours remaining, 233.539062 MB of memory in use. ENERGY: 3290800 3985.2610 20409.1966 14425.8834 245.5050 -203364.1949 2576.0472 0.0000 0.0000 52160.9262 -109561.3755 299.7696 -161722.3017 -109202.4588 298.4811 -48.4231 -28.4489 763677.9327 -9.8196 -9.9307 PRESSURE: 3291000 -258.462 32.4966 -7.28817 32.4965 -541.741 -109.947 -7.28766 -109.947 14.9201 GPRESSURE: 3291000 -210.133 -37.9065 -42.0129 102.032 -489.733 -138.551 63.6483 -47.1885 -10.0977 PRESSAVG: 3291000 24.3874 -9.82256 26.3744 -9.82258 29.0575 6.58833 26.3744 6.58838 -1.82269 GPRESSAVG: 3291000 23.3267 -8.48207 23.5595 -12.3704 29.1718 7.59343 26.0928 6.28246 -0.744526 TIMING: 3291000 CPU: 10283.3, 0.00312104/step Wall: 10283.3, 0.00312104/step, 1.48163 hours remaining, 233.539062 MB of memory in use. ENERGY: 3291000 3982.0658 20416.7278 14441.8694 234.8130 -203382.0922 2608.0781 0.0000 0.0000 52022.3008 -109676.2374 298.9729 -161698.5381 -109302.3123 298.5810 -261.7609 -236.6545 764019.7767 17.2074 17.2513 PRESSURE: 3291200 -182.871 147.784 109.746 147.784 16.8049 -166.243 109.746 -166.243 411.452 GPRESSURE: 3291200 -72.2352 150.882 168.527 222.387 28.2414 -179.779 109.245 -38.868 386.736 PRESSAVG: 3291200 -9.29622 22.9935 15.7211 22.9935 -10.618 -35.5889 15.7211 -35.589 -7.8013 GPRESSAVG: 3291200 -10.5684 20.4749 17.9704 25.755 -9.04269 -36.1053 15.2018 -36.1644 -8.28229 TIMING: 3291200 CPU: 10283.9, 0.0030972/step Wall: 10283.9, 0.0030972/step, 1.47014 hours remaining, 233.539062 MB of memory in use. ENERGY: 3291200 3999.3209 20589.1203 14403.4046 229.8608 -203207.5788 2601.4177 0.0000 0.0000 51527.2409 -109857.2135 296.1278 -161384.4545 -109494.7719 298.7330 81.7953 114.2475 763978.7235 -9.2385 -9.2978 PRESSURE: 3291400 -133.65 5.99652 41.9963 5.99614 6.17336 -143.905 41.9964 -143.905 298.177 GPRESSURE: 3291400 -11.7774 9.87746 97.5152 -37.4738 6.12606 -100.725 16.0972 -233.186 269.826 PRESSAVG: 3291400 4.09498 13.1478 20.6951 13.1477 6.94603 -21.2831 20.695 -21.2831 10.4701 GPRESSAVG: 3291400 5.40446 13.9873 21.3874 11.7888 5.78098 -21.2967 21.0637 -22.2804 10.1202 TIMING: 3291400 CPU: 10284.5, 0.00310984/step Wall: 10284.5, 0.00310984/step, 1.47596 hours remaining, 233.539062 MB of memory in use. ENERGY: 3291400 3919.5068 20451.1927 14422.9637 238.8182 -203729.5197 2839.6527 0.0000 0.0000 51950.0220 -109907.3635 298.5575 -161857.3856 -109553.7301 298.0771 56.9000 88.0582 760722.1559 7.1704 7.1019 PRESSURE: 3291600 -73.8867 152.989 -75.7429 152.989 85.106 126.467 -75.7433 126.466 56.5005 GPRESSURE: 3291600 -3.56551 144.643 -29.5343 30.8942 5.12386 81.4869 86.9656 174.54 162.12 PRESSAVG: 3291600 6.62062 -3.59145 -35.477 -3.59144 19.4647 -17.4621 -35.477 -17.4621 -4.78288 GPRESSAVG: 3291600 5.51428 -1.44045 -36.4627 -2.94787 20.2495 -16.6355 -35.7284 -16.8111 -4.47457 TIMING: 3291600 CPU: 10285.2, 0.00312034/step Wall: 10285.2, 0.00312034/step, 1.48077 hours remaining, 233.539062 MB of memory in use. ENERGY: 3291600 4039.4080 20392.9429 14388.3888 231.4837 -203967.5233 3065.7316 0.0000 0.0000 52042.8781 -109806.6903 299.0911 -161849.5684 -109441.2299 298.3711 22.5733 54.5595 760843.7187 7.1008 7.0964 PRESSURE: 3291800 -93.7907 -15.8491 70.163 -15.8497 -44.0823 -370.909 70.1629 -370.91 -128.007 GPRESSURE: 3291800 -87.0448 -111.853 34.2663 24.4022 79.3223 -350.753 25.154 -272.491 -183.635 PRESSAVG: 3291800 -45.5975 6.4231 -18.7617 6.42304 37.8307 -57.507 -18.7617 -57.5069 6.70294 GPRESSAVG: 3291800 -45.8202 5.6066 -19.441 6.05891 38.0433 -59.6267 -18.1875 -55.4936 6.86257 TIMING: 3291800 CPU: 10285.8, 0.00309884/step Wall: 10285.8, 0.00309884/step, 1.4704 hours remaining, 233.539062 MB of memory in use. ENERGY: 3291800 3939.1605 20645.6805 14390.9446 241.0281 -203736.6428 3086.9980 0.0000 0.0000 51782.7822 -109650.0489 297.5964 -161432.8311 -109295.0443 298.3137 -88.6266 -63.7860 762816.6984 -0.3546 -0.3048 PRESSURE: 3292000 67.6587 -63.4355 -63.6426 -63.4354 -119.901 47.1742 -63.6422 47.1744 -323.399 GPRESSURE: 3292000 127.43 -58.6606 -44.2335 50.8968 -31.2628 62.278 -48.4144 153.278 -384.927 PRESSAVG: 3292000 -30.2357 35.1669 6.30443 35.1669 59.3512 -25.4023 6.30443 -25.4023 -6.07084 GPRESSAVG: 3292000 -29.3843 34.0822 6.90116 36.4813 57.8163 -24.61 5.60885 -23.315 -5.3062 TIMING: 3292000 CPU: 10286.4, 0.00310304/step Wall: 10286.4, 0.00310304/step, 1.47222 hours remaining, 233.539062 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: 3292000 3994.9942 20560.1099 14356.6187 254.6810 -203291.7998 2522.5420 0.0000 0.0000 52017.6769 -109585.1771 298.9463 -161602.8540 -109212.5235 298.8543 -125.2139 -96.2533 759806.0644 7.6816 7.7086 PRESSURE: 3292200 7.34092 -79.0093 -102.264 -79.01 225.646 166.495 -102.264 166.496 -345.515 GPRESSURE: 3292200 67.5035 -5.86653 -84.5173 21.7191 218.681 114.656 -65.9291 217.041 -310.364 PRESSAVG: 3292200 -13.2283 36.1736 -26.4037 36.1736 -15.4196 -4.61146 -26.4037 -4.61142 2.56672 GPRESSAVG: 3292200 -13.0258 36.5339 -27.3749 34.6604 -14.1499 -5.78105 -26.3146 -6.66638 1.64946 TIMING: 3292200 CPU: 10287, 0.00311621/step Wall: 10287, 0.00311621/step, 1.47829 hours remaining, 233.539062 MB of memory in use. ENERGY: 3292200 4035.5477 20461.1788 14409.6676 240.9617 -203287.2911 2710.5437 0.0000 0.0000 52032.6155 -109396.7761 299.0322 -161429.3916 -109036.8768 299.5034 -37.5095 -8.0596 760393.9794 -8.6937 -8.5087 LDB: ============= START OF LOAD BALANCING ============== 10299.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10299.5 LDB: =============== DONE WITH MIGRATION ================ 10299.5 LDB: ============= START OF LOAD BALANCING ============== 10299.8 LDB: Largest compute 7032 load 0.030474 is 15.6% of average load 0.195262 LDB: Average compute 0.004396 is 2.3% of average load 0.195262 LDB: TIME 10299.8 LOAD: AVG 0.195262 MAX 0.215016 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.594 MB LDB: TIME 10299.8 LOAD: AVG 0.195262 MAX 0.215016 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.594 MB LDB: TIME 10299.8 LOAD: AVG 0.195262 MAX 0.215016 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.594 MB LDB: ============== END OF LOAD BALANCING =============== 10299.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10299.8 PRESSURE: 3292400 -119.272 -109.476 -256.654 -109.477 -78.8296 -52.3776 -256.654 -52.378 -112.348 GPRESSURE: 3292400 -77.013 -112.375 -368.551 -19.0598 -109.837 -22.9138 -255.044 13.7611 -53.8583 PRESSAVG: 3292400 -11.7905 20.9651 -54.7696 20.9651 25.2035 30.0628 -54.7696 30.0629 20.2797 GPRESSAVG: 3292400 -11.6852 22.0305 -55.5654 21.4388 24.4133 32.9265 -53.7464 27.9585 20.7651 TIMING: 3292400 CPU: 10287.7, 0.00318267/step Wall: 10287.7, 0.00318267/step, 1.50964 hours remaining, 235.335938 MB of memory in use. ENERGY: 3292400 4008.5896 20566.6265 14456.6574 236.7039 -202821.5585 2282.3796 0.0000 0.0000 52006.9117 -109263.6899 298.8844 -161270.6016 -108893.3227 299.4175 -103.4833 -80.2361 761575.7307 11.2309 11.1644 PRESSURE: 3292600 111.307 72.0231 137.748 72.0239 -329.821 -197.437 137.747 -197.437 120.276 GPRESSURE: 3292600 86.4597 -60.9569 91.4574 -18.0052 -204.784 -180.461 -35.1254 -153.218 113.888 PRESSAVG: 3292600 -37.2946 13.5292 -35.4536 13.5292 4.47821 12.1385 -35.4536 12.1385 -9.56381 GPRESSAVG: 3292600 -36.7111 10.8581 -35.0188 14.4928 4.21648 11.5053 -35.8296 13.683 -9.97344 TIMING: 3292600 CPU: 10288.3, 0.0031068/step Wall: 10288.3, 0.0031068/step, 1.47349 hours remaining, 235.335938 MB of memory in use. ENERGY: 3292600 3944.7499 20588.5332 14393.3115 249.3275 -203012.6774 2373.3377 0.0000 0.0000 52225.5137 -109237.9039 300.1407 -161463.4176 -108869.5637 299.2407 -32.7463 -1.4785 763320.7580 -14.1267 -14.1560 PRESSURE: 3292800 -22.5362 43.8797 160.915 43.8799 -89.9778 70.3225 160.916 70.3226 22.2252 GPRESSURE: 3292800 44.3604 -59.7842 206.505 -31.1792 -17.4982 -52.2411 171.552 57.1873 -17.7102 PRESSAVG: 3292800 12.9498 -15.6282 18.3104 -15.6283 28.3133 -22.71 18.3104 -22.7099 -20.7145 GPRESSAVG: 3292800 10.9416 -12.1777 17.677 -18.014 30.0926 -24.1615 19.0084 -22.7871 -20.4566 TIMING: 3292800 CPU: 10288.9, 0.00309998/step Wall: 10288.9, 0.00309998/step, 1.47008 hours remaining, 235.335938 MB of memory in use. ENERGY: 3292800 3919.4125 20471.1241 14381.5693 254.8914 -203437.1081 2817.2928 0.0000 0.0000 52439.1268 -109153.6912 301.3684 -161592.8180 -108787.9833 299.7477 -30.0962 3.0507 763551.5372 6.8495 6.8592 PRESSURE: 3293000 31.1821 133.269 -80.245 133.269 -74.5712 33.3358 -80.2444 33.3366 58.658 GPRESSURE: 3293000 72.8953 72.1772 -112.268 23.0628 -51.7089 33.1735 -89.9672 182.479 73.8871 PRESSAVG: 3293000 -22.5685 23.7875 -39.3269 23.7875 33.0922 -18.3801 -39.3269 -18.3801 -0.161685 GPRESSAVG: 3293000 -21.9954 23.0778 -36.8293 23.6721 33.462 -19.1427 -41.1918 -17.2761 -1.33861 TIMING: 3293000 CPU: 10289.5, 0.00311047/step Wall: 10289.5, 0.00311047/step, 1.47488 hours remaining, 235.335938 MB of memory in use. ENERGY: 3293000 3975.1636 20513.9038 14490.5383 225.9442 -203105.2439 2444.1999 0.0000 0.0000 52270.3788 -109185.1153 300.3986 -161455.4941 -108824.6961 299.8108 5.0897 31.6912 762289.7054 3.4540 3.3760 PRESSURE: 3293200 70.5001 22.6691 147.1 22.6695 311.852 -95.899 147.1 -95.8982 -36.7426 GPRESSURE: 3293200 187.528 12.826 169.444 -92.809 291.691 -103.098 59.0303 -135.373 -59.2104 PRESSAVG: 3293200 -2.23763 23.004 -52.2067 23.0041 37.0234 12.4407 -52.2066 12.4407 -0.731212 GPRESSAVG: 3293200 -1.94828 23.5189 -53.3223 23.0526 36.2581 11.6463 -51.5742 12.4447 -0.16509 TIMING: 3293200 CPU: 10290.2, 0.00311171/step Wall: 10290.2, 0.00311171/step, 1.4753 hours remaining, 235.335938 MB of memory in use. ENERGY: 3293200 3954.9572 20658.2097 14414.3960 237.8048 -203470.0955 2869.9808 0.0000 0.0000 52010.2537 -109324.4933 298.9036 -161334.7470 -108962.1556 299.4839 115.2032 140.0030 762234.5724 11.3515 11.3816 PRESSURE: 3293400 83.7124 29.3355 -318.214 29.3355 417.234 -291.47 -318.215 -291.47 325.227 GPRESSURE: 3293400 122.226 -12.874 -392.685 139.135 490.67 -263.921 -199.479 -258.401 292.044 PRESSAVG: 3293400 -30.5557 10.3021 -50.7217 10.3021 12.6306 -21.912 -50.7218 -21.912 13.6132 GPRESSAVG: 3293400 -30.0918 8.41908 -52.2747 12.6034 11.672 -19.4009 -49.353 -25.2601 14.7383 TIMING: 3293400 CPU: 10290.8, 0.00311414/step Wall: 10290.8, 0.00311414/step, 1.47628 hours remaining, 235.335938 MB of memory in use. ENERGY: 3293400 4032.6627 20626.7253 14390.4898 245.5536 -203426.3813 2817.2666 0.0000 0.0000 52062.0599 -109251.6233 299.2014 -161313.6832 -108892.1518 299.6104 275.3910 301.6467 761266.7085 -1.4373 -1.2272 PRESSURE: 3293600 131.554 -132.236 57.6346 -132.237 94.4445 -54.8613 57.6343 -54.8592 109.155 GPRESSURE: 3293600 139.694 -104.706 58.7802 -165.128 113.342 -30.1487 43.9392 -138.357 156.205 PRESSAVG: 3293600 -27.0582 51.6615 -41.213 51.6614 9.72959 43.7393 -41.213 43.7394 -15.4355 GPRESSAVG: 3293600 -27.9946 50.6562 -40.4632 52.4409 11.8036 44.185 -41.2489 46.4317 -16.1919 TIMING: 3293600 CPU: 10291.4, 0.00311666/step Wall: 10291.4, 0.00311666/step, 1.4773 hours remaining, 235.335938 MB of memory in use. ENERGY: 3293600 4135.8602 20699.3827 14432.2879 240.3603 -203441.7585 2705.4435 0.0000 0.0000 51839.8073 -109388.6166 297.9241 -161228.4239 -109035.4354 299.8972 111.7178 136.4139 761894.5976 -10.9214 -10.7943 PRESSURE: 3293800 -407.131 29.2516 -3.64619 29.2521 -85.3494 47.4855 -3.64648 47.4855 213.159 GPRESSURE: 3293800 -256.515 63.4696 -45.6367 52.4196 -50.9 42.3147 65.4003 -127.776 99.0461 PRESSAVG: 3293800 11.3592 71.7001 28.8452 71.7001 22.0066 -36.1216 28.8451 -36.1215 -2.83115 GPRESSAVG: 3293800 13.0207 73.1326 28.4478 70.3305 20.9757 -37.1656 28.4559 -35.3766 -3.44971 TIMING: 3293800 CPU: 10292, 0.0031234/step Wall: 10292, 0.0031234/step, 1.48032 hours remaining, 235.335938 MB of memory in use. ENERGY: 3293800 3938.3278 20574.9313 14397.7634 260.9251 -203161.9171 2388.3787 0.0000 0.0000 52068.6256 -109532.9653 299.2391 -161601.5908 -109153.2277 299.2604 -93.1070 -69.4562 762816.4917 10.1782 10.1822 PRESSURE: 3294000 -238.59 -84.9734 238.573 -84.9725 -254.691 113.436 238.573 113.436 -98.9874 GPRESSURE: 3294000 -303.527 -51.0218 318.807 -127.26 -101.326 158.209 263.503 -13.6659 -114.676 PRESSAVG: 3294000 38.2158 52.5096 -8.21314 52.5096 -8.88385 37.7115 -8.21311 37.7116 35.697 GPRESSAVG: 3294000 36.2274 52.783 -6.19856 50.4849 -7.91397 38.4457 -9.47565 35.513 36.3765 TIMING: 3294000 CPU: 10292.7, 0.00312207/step Wall: 10292.7, 0.00312207/step, 1.47952 hours remaining, 235.335938 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: 3294000 3975.7559 20560.3316 14436.6753 233.1212 -203492.7617 2724.8000 0.0000 0.0000 52182.6175 -109379.4603 299.8942 -161562.0778 -109014.3387 298.9820 -197.4229 -173.1764 763949.2733 21.6763 21.5633 PRESSURE: 3294200 -241.796 -71.903 -43.3779 -71.9038 -82.4976 59.5503 -43.3774 59.551 122.465 GPRESSURE: 3294200 -129.31 -140.253 -65.526 -101.184 -75.49 63.166 -84.3306 30.7309 74.9956 PRESSAVG: 3294200 -20.6634 54.8894 -4.63756 54.8894 36.7466 21.653 -4.63757 21.653 2.11328 GPRESSAVG: 3294200 -19.3168 52.5993 -4.57588 57.2522 36.1702 21.1651 -2.82868 21.857 1.02983 TIMING: 3294200 CPU: 10293.3, 0.00312078/step Wall: 10293.3, 0.00312078/step, 1.47873 hours remaining, 235.335938 MB of memory in use. ENERGY: 3294200 4091.5102 20596.4347 14409.9968 246.7518 -203288.6076 2678.2086 0.0000 0.0000 51931.0980 -109334.6075 298.4487 -161265.7054 -108983.1814 299.0486 -67.2761 -43.2680 762853.6702 6.0655 5.9611 PRESSURE: 3294400 27.6127 44.7119 78.8203 44.7111 149.207 -9.66402 78.8202 -9.66403 -121.712 GPRESSURE: 3294400 66.6636 142.713 90.2086 85.7505 122.907 -50.1033 54.5979 96.153 -38.4111 PRESSAVG: 3294400 -4.05212 41.5217 -1.96245 41.5217 30.5084 49.321 -1.96246 49.3211 30.3421 GPRESSAVG: 3294400 -2.92725 42.1524 -3.10253 41.0869 29.8218 48.9786 -3.22556 50.5772 30.1133 TIMING: 3294400 CPU: 10293.9, 0.00313789/step Wall: 10293.9, 0.00313788/step, 1.48666 hours remaining, 235.335938 MB of memory in use. ENERGY: 3294400 3999.5064 20527.8607 14382.6139 247.8674 -203114.6425 2500.9476 0.0000 0.0000 52056.5920 -109399.2545 299.1699 -161455.8464 -109036.0749 299.3668 18.3690 50.3867 761376.1691 18.9328 19.0026 PRESSURE: 3294600 109.826 54.4501 -74.3232 54.4502 -130.435 67.1698 -74.3239 67.1701 -375.718 GPRESSURE: 3294600 151.173 69.5511 -69.6772 75.6087 -96.1372 67.8717 -65.0767 86.0078 -360.852 PRESSAVG: 3294600 11.1136 24.9003 -0.265449 24.9003 -36.363 33.3228 -0.265482 33.3228 -18.1117 GPRESSAVG: 3294600 8.5269 25.8315 -0.242691 24.8453 -35.8856 34.865 -0.178015 31.436 -15.6492 TIMING: 3294600 CPU: 10294.5, 0.00312335/step Wall: 10294.5, 0.00312335/step, 1.4796 hours remaining, 235.335938 MB of memory in use. ENERGY: 3294600 4055.5923 20462.0946 14426.4675 235.9983 -203346.8879 2737.9114 0.0000 0.0000 52281.3415 -109147.4823 300.4616 -161428.8237 -108781.3637 299.6506 -132.1091 -101.9388 762958.8038 -14.4537 -14.3360 PRESSURE: 3294800 410.086 121.72 50.8878 121.72 92.7594 -81.1456 50.8881 -81.1472 12.8838 GPRESSURE: 3294800 433.841 -18.0972 5.78495 -7.38159 162.847 -11.4233 -25.5638 -77.6593 -1.15169 PRESSAVG: 3294800 8.71688 28.3352 -22.85 28.3351 -18.3111 7.2844 -22.85 7.28439 -2.98207 GPRESSAVG: 3294800 9.06403 28.1125 -21.787 27.0625 -17.3476 4.46145 -21.3423 8.94453 -5.23272 TIMING: 3294800 CPU: 10295.1, 0.00310342/step Wall: 10295.1, 0.00310342/step, 1.46999 hours remaining, 235.335938 MB of memory in use. ENERGY: 3294800 4105.8937 20513.3652 14391.5263 244.1121 -203403.3997 2796.0144 0.0000 0.0000 52213.0420 -109139.4459 300.0691 -161352.4879 -108770.2076 300.0138 171.9098 198.5122 761280.6645 -4.1921 -4.5054 PRESSURE: 3295000 112.019 -24.9051 -23.7591 -24.9045 166.388 -3.64749 -23.7588 -3.64796 3.28807 GPRESSURE: 3295000 175.103 -46.6744 -72.0474 -83.5048 184.401 -46.8918 -72.5736 -93.6881 -3.65726 PRESSAVG: 3295000 -90.6486 15.4884 21.7216 15.4885 68.4148 -51.7606 21.7215 -51.7606 28.0847 GPRESSAVG: 3295000 -91.3083 13.6198 20.7537 17.6543 68.4321 -48.3779 19.8531 -53.9488 28.4112 TIMING: 3295000 CPU: 10295.8, 0.00312627/step Wall: 10295.8, 0.00312627/step, 1.48063 hours remaining, 235.335938 MB of memory in use. ENERGY: 3295000 3917.4868 20562.5836 14380.1726 249.8129 -203168.1992 2777.1149 0.0000 0.0000 52130.6190 -109150.4095 299.5954 -161281.0285 -108784.8971 299.4200 93.8983 118.6155 762966.2659 1.9503 1.8450 PRESSURE: 3295200 -35.2676 119.954 44.0718 119.954 25.1626 -122.23 44.0719 -122.231 121.867 GPRESSURE: 3295200 95.1879 116.018 9.42429 179.429 -6.70846 -64.1307 29.4452 -125.291 102.498 PRESSAVG: 3295200 1.24116 48.1771 6.86338 48.177 9.62638 -24.3005 6.86333 -24.3005 14.9968 GPRESSAVG: 3295200 1.40368 48.1646 6.31812 47.722 8.87333 -26.0125 7.62572 -23.3935 15.401 TIMING: 3295200 CPU: 10296.4, 0.00311477/step Wall: 10296.4, 0.00311477/step, 1.47501 hours remaining, 235.335938 MB of memory in use. ENERGY: 3295200 3978.3899 20416.7188 14382.8237 253.8206 -203195.4386 2844.7241 0.0000 0.0000 52049.9515 -109269.0101 299.1318 -161318.9616 -108906.5006 298.8846 37.2540 63.6591 762921.5354 8.6215 8.5593 PRESSURE: 3295400 -257.335 -114.512 31.9415 -114.512 -76.8022 22.7153 31.9424 22.716 -1.34986 GPRESSURE: 3295400 -196.866 -73.6999 35.2922 -30.0253 26.9847 -50.1733 -14.6901 14.3035 -78.2222 PRESSAVG: 3295400 -10.0195 26.9922 -24.7878 26.9922 8.09827 11.9796 -24.7879 11.9797 -8.3408 GPRESSAVG: 3295400 -9.63181 28.9341 -24.1031 27.3749 8.51841 12.3231 -25.0894 12.6325 -9.3048 TIMING: 3295400 CPU: 10297, 0.00309969/step Wall: 10297, 0.00309969/step, 1.4677 hours remaining, 235.335938 MB of memory in use. ENERGY: 3295400 3946.4440 20374.9747 14432.3711 232.3232 -202953.0743 2641.7499 0.0000 0.0000 52213.0570 -109112.1544 300.0692 -161325.2114 -108739.5673 299.0901 -111.8292 -82.7011 763098.5501 -3.4207 -3.4727 PRESSURE: 3295600 75.6258 -32.5642 -150.157 -32.5642 -109.95 -155.586 -150.157 -155.587 -616.844 GPRESSURE: 3295600 23.8206 -5.24994 -214.016 -17.6049 -116.153 -105.447 -88.9042 -185.31 -486.146 PRESSAVG: 3295600 8.39338 31.4193 35.2837 31.4193 2.10481 7.09943 35.2837 7.09947 -3.6203 GPRESSAVG: 3295600 7.67658 34.1105 35.2225 29.4493 1.26117 8.04001 35.8553 7.3501 -1.64856 TIMING: 3295600 CPU: 10297.6, 0.00310569/step Wall: 10297.6, 0.00310569/step, 1.47037 hours remaining, 235.335938 MB of memory in use. ENERGY: 3295600 3939.4036 20602.5221 14371.6876 247.7394 -202869.9420 2573.8445 0.0000 0.0000 52178.8683 -108955.8765 299.8727 -161134.7448 -108591.5495 299.7307 -217.0560 -192.8261 762644.3614 2.2926 2.4297 PRESSURE: 3295800 109.107 -175.73 -20.1029 -175.732 -141.184 382.143 -20.1024 382.142 -150.613 GPRESSURE: 3295800 126.234 -230.194 -61.2204 -326.304 -69.3795 256.188 10.1382 334.221 -156.9 PRESSAVG: 3295800 27.2857 -2.05693 22.1091 -2.05686 3.88433 -6.03404 22.1091 -6.03406 3.70422 GPRESSAVG: 3295800 27.5995 -6.19498 24.3749 -2.19994 5.0915 -7.16558 21.1912 -7.54229 2.09077 TIMING: 3295800 CPU: 10298.3, 0.00310851/step Wall: 10298.3, 0.00310851/step, 1.47153 hours remaining, 235.335938 MB of memory in use. ENERGY: 3295800 4004.6659 20450.4269 14459.6900 228.7468 -203486.7547 3088.9004 0.0000 0.0000 52067.3759 -109186.9488 299.2319 -161254.3247 -108819.5845 299.8137 -60.8968 -33.3485 760400.6817 11.6247 11.5939 PRESSURE: 3296000 167.83 177.045 -105.468 177.046 109.207 156.911 -105.468 156.911 324.631 GPRESSURE: 3296000 275.174 238.264 -47.8321 120.351 143.764 235.912 -69.4684 128.993 291.819 PRESSAVG: 3296000 16.889 -7.1485 47.4848 -7.14847 -12.5929 32.7938 47.4848 32.7937 15.9487 GPRESSAVG: 3296000 16.8372 -4.55741 44.9161 -5.18159 -12.4695 33.439 48.7393 34.5012 15.9102 TIMING: 3296000 CPU: 10298.9, 0.00309489/step Wall: 10298.9, 0.00309489/step, 1.46491 hours remaining, 235.335938 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: 3296000 4009.2254 20562.0170 14484.6786 238.8348 -203324.8889 2867.4228 0.0000 0.0000 52167.8311 -108994.8793 299.8092 -161162.7104 -108632.1330 299.4987 200.5560 236.9189 761847.1515 6.7483 6.7593 PRESSURE: 3296200 215.108 -163.836 16.8131 -163.834 262.697 210.745 16.8128 210.744 -268.711 GPRESSURE: 3296200 263.07 -56.8575 4.45279 -103.097 273.439 189.972 -104.438 209.152 -232.78 PRESSAVG: 3296200 52.2188 33.1986 21.5338 33.1986 -13.93 69.2126 21.5338 69.2126 17.8298 GPRESSAVG: 3296200 51.8688 33.1832 21.6595 32.3472 -14.4971 70.2971 21.8429 67.9764 18.8975 TIMING: 3296200 CPU: 10299.5, 0.00310354/step Wall: 10299.5, 0.00310354/step, 1.46884 hours remaining, 235.335938 MB of memory in use. ENERGY: 3296200 4067.0228 20390.5921 14391.1299 243.4876 -203143.4398 2756.6097 0.0000 0.0000 52139.5590 -109155.0386 299.6468 -161294.5976 -108788.6946 299.3581 69.6978 101.2434 761843.7114 18.7062 18.7564 LDB: ============= START OF LOAD BALANCING ============== 10312 LDB: ============== END OF LOAD BALANCING =============== 10312 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10312 LDB: ============= START OF LOAD BALANCING ============== 10312.3 LDB: Largest compute 6998 load 0.031203 is 16.0% of average load 0.195170 LDB: Average compute 0.004392 is 2.3% of average load 0.195170 LDB: TIME 10312.3 LOAD: AVG 0.19517 MAX 0.214348 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.082 MB LDB: TIME 10312.3 LOAD: AVG 0.19517 MAX 0.214348 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.082 MB LDB: TIME 10312.3 LOAD: AVG 0.19517 MAX 0.214348 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.082 MB LDB: ============== END OF LOAD BALANCING =============== 10312.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10312.3 PRESSURE: 3296400 -526.318 -10.3444 35.4448 -10.3436 -400.544 -132.713 35.4451 -132.712 -522.843 GPRESSURE: 3296400 -451.768 -6.55862 56.9716 123.158 -474.719 -134.104 -28.5592 26.2193 -436.274 PRESSAVG: 3296400 -59.6703 -5.26015 -19.4092 -5.26017 46.1564 77.8227 -19.4092 77.8226 -17.7997 GPRESSAVG: 3296400 -58.8998 -6.46397 -18.4625 -4.03376 45.2737 77.5273 -19.7341 78.6824 -17.8634 TIMING: 3296400 CPU: 10300.1, 0.00317509/step Wall: 10300.1, 0.00317509/step, 1.50252 hours remaining, 234.238281 MB of memory in use. ENERGY: 3296400 4021.1495 20573.2558 14467.7190 227.6472 -202818.1345 2415.4904 0.0000 0.0000 51988.5392 -109124.3334 298.7788 -161112.8726 -108772.8335 299.4024 -483.2350 -454.2534 763198.3419 -10.4379 -10.4965 PRESSURE: 3296600 107.008 175.762 98.3665 175.763 -275.869 -173.297 98.3674 -173.298 -42.9987 GPRESSURE: 3296600 133.726 87.9777 112.143 101.665 -174.294 -125.824 52.8142 -153.883 -82.8124 PRESSAVG: 3296600 14.3687 7.07173 -9.93118 7.07172 4.78418 57.8445 -9.93116 57.8445 -0.488804 GPRESSAVG: 3296600 14.9794 7.73209 -9.02759 4.87968 4.9916 56.8885 -11.165 60.1215 -1.54261 TIMING: 3296600 CPU: 10300.8, 0.0030952/step Wall: 10300.8, 0.0030952/step, 1.46454 hours remaining, 234.238281 MB of memory in use. ENERGY: 3296600 3961.5848 20446.1499 14463.4364 274.7926 -203062.1034 2771.7974 0.0000 0.0000 52075.0422 -109069.3001 299.2760 -161144.3423 -108708.5062 299.9481 -70.6197 -41.1266 761354.0008 6.2213 6.1428 PRESSURE: 3296800 -65.8506 97.3676 111.61 97.3679 -249.185 137.536 111.61 137.536 78.5048 GPRESSURE: 3296800 -77.8193 72.4996 166.887 66.1464 -175.428 150.769 227.922 75.6696 94.8468 PRESSAVG: 3296800 25.9724 -21.8254 6.98143 -21.8253 -9.47171 2.78674 6.98144 2.78681 14.1793 GPRESSAVG: 3296800 25.4827 -20.9591 5.18227 -25.5678 -9.28832 3.94171 6.83768 0.245139 14.5886 TIMING: 3296800 CPU: 10301.4, 0.00309983/step Wall: 10301.4, 0.00309983/step, 1.46656 hours remaining, 234.238281 MB of memory in use. ENERGY: 3296800 4019.4447 20501.8566 14463.6453 253.8418 -203236.4977 2634.1077 0.0000 0.0000 52191.5869 -109172.0147 299.9458 -161363.6016 -108815.8971 300.1212 -78.8437 -52.8001 762788.6603 10.2267 10.2610 PRESSURE: 3297000 -22.5948 -130.987 -105.881 -130.987 -255.114 -139.673 -105.882 -139.673 -5.08786 GPRESSURE: 3297000 12.9357 -77.2345 -132.021 -83.6089 -262.652 -113.858 -192.137 -83.1318 62.2713 PRESSAVG: 3297000 37.9781 -27.5915 -52.9079 -27.5915 -74.7472 19.1318 -52.9079 19.1317 8.70183 GPRESSAVG: 3297000 38.3088 -28.5445 -52.4625 -23.3256 -75.6346 18.4786 -53.3981 20.1328 10.0044 TIMING: 3297000 CPU: 10302, 0.00310408/step Wall: 10302, 0.00310408/step, 1.4684 hours remaining, 234.238281 MB of memory in use. ENERGY: 3297000 3960.6704 20313.0958 14481.2772 252.7427 -203304.5953 2654.0457 0.0000 0.0000 52283.2774 -109359.4860 300.4727 -161642.7634 -108990.9077 299.3905 -94.2655 -62.4818 761793.2540 -9.3558 -9.1071 PRESSURE: 3297200 105.627 -83.2368 207.473 -83.2367 151.325 -143.387 207.474 -143.388 -43.5727 GPRESSURE: 3297200 184.455 -24.5765 190.15 -152.773 183.843 -164.339 172.413 -99.9367 -77.5366 PRESSAVG: 3297200 -28.4056 -31.8336 20.8018 -31.8337 20.842 0.88672 20.8018 0.886723 -15.9514 GPRESSAVG: 3297200 -28.3191 -33.75 18.9939 -30.8073 21.2561 0.401023 24.7206 0.480248 -16.626 TIMING: 3297200 CPU: 10302.6, 0.00309069/step Wall: 10302.6, 0.00309069/step, 1.4619 hours remaining, 234.238281 MB of memory in use. ENERGY: 3297200 3980.7117 20558.8152 14400.4595 249.6792 -203396.1752 2849.8728 0.0000 0.0000 52045.5507 -109311.0861 299.1065 -161356.6368 -108960.7127 299.3394 71.1265 96.9205 762557.5144 -7.8383 -7.8963 PRESSURE: 3297400 -287.253 52.4586 230.028 52.4589 -486.629 -155.359 230.028 -155.36 -69.3924 GPRESSURE: 3297400 -178.214 29.0489 252.277 -22.1546 -470.73 -169.19 151.519 53.7686 -117.205 PRESSAVG: 3297400 15.0303 -8.7422 2.44907 -8.74218 1.79037 -9.34366 2.44903 -9.34368 -16.2668 GPRESSAVG: 3297400 14.3846 -6.59891 7.0053 -11.8245 1.56841 -8.05097 -0.626927 -8.71925 -15.5523 TIMING: 3297400 CPU: 10303.2, 0.00309783/step Wall: 10303.2, 0.00309783/step, 1.4651 hours remaining, 234.238281 MB of memory in use. ENERGY: 3297400 3988.3859 20599.8847 14486.1460 239.6187 -203112.5089 2463.7352 0.0000 0.0000 52053.8633 -109280.8751 299.1543 -161334.7384 -108926.8047 299.3756 -281.0915 -255.3830 762584.2244 0.1846 0.1336 PRESSURE: 3297600 -230.089 155.585 15.4571 155.585 178.57 376.503 15.4572 376.503 5.97475 GPRESSURE: 3297600 -207.797 113.341 20.6129 232.475 168.323 378.189 95.4347 304.753 85.5213 PRESSAVG: 3297600 -4.00681 49.2026 36.7686 49.2026 -1.85887 -22.8342 36.7686 -22.8341 -11.2819 GPRESSAVG: 3297600 -3.62668 49.8878 35.715 51.7377 -0.109458 -25.0966 36.7221 -23.746 -13.3893 TIMING: 3297600 CPU: 10303.9, 0.00309955/step Wall: 10303.9, 0.00309955/step, 1.46574 hours remaining, 234.238281 MB of memory in use. ENERGY: 3297600 3965.0547 20501.2253 14443.3879 256.0168 -203346.9396 2755.9695 0.0000 0.0000 52052.6283 -109372.6569 299.1472 -161425.2852 -109015.3213 299.6484 -15.1814 15.3492 762418.1730 -5.7159 -5.7085 PRESSURE: 3297800 -107.041 -32.0776 -179.799 -32.0772 -139.028 -51.6369 -179.799 -51.6381 -376.523 GPRESSURE: 3297800 -51.115 -60.2086 -209.337 -120.507 -132.156 -112.026 -197.764 -4.1585 -356.864 PRESSAVG: 3297800 -7.883 43.3294 12.7828 43.3294 -6.7988 -2.05709 12.7828 -2.05705 13.7987 GPRESSAVG: 3297800 -7.03798 42.1101 12.13 42.1492 -8.35896 -0.662896 12.4732 -2.95274 15.1165 TIMING: 3297800 CPU: 10304.5, 0.00310635/step Wall: 10304.5, 0.00310635/step, 1.46878 hours remaining, 234.238281 MB of memory in use. ENERGY: 3297800 3980.4467 20539.2686 14507.9010 230.3103 -203501.0977 2780.6123 0.0000 0.0000 51896.8066 -109565.7522 298.2517 -161462.5588 -109204.9167 299.1822 -207.5305 -180.0452 762232.3058 -0.2944 -0.0935 PRESSURE: 3298000 106.325 24.6923 50.5635 24.6928 -43.6335 -151.826 50.5628 -151.827 -218.814 GPRESSURE: 3298000 161.215 54.4933 107.797 -65.9665 -20.9232 -137.181 -101.456 -44.6559 -205.073 PRESSAVG: 3298000 -35.8933 -8.84356 -16.6411 -8.8435 37.9625 -20.2592 -16.6412 -20.2593 5.55142 GPRESSAVG: 3298000 -37.5368 -10.0746 -18.4219 -10.7621 38.3546 -21.2773 -13.987 -18.7935 6.06815 TIMING: 3298000 CPU: 10305.1, 0.00309734/step Wall: 10305.1, 0.00309734/step, 1.46436 hours remaining, 234.238281 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: 3298000 4082.6237 20562.8596 14461.4948 242.8527 -203036.6425 2351.2294 0.0000 0.0000 51906.9707 -109428.6117 298.3101 -161335.5824 -109059.9035 298.9681 -52.0407 -21.5937 761942.1108 2.5402 2.2953 PRESSURE: 3298200 45.4907 32.5759 -47.7055 32.5754 39.0215 -92.4334 -47.704 -92.4325 -12.0329 GPRESSURE: 3298200 108.586 88.7346 17.6714 -81.7214 124.359 -46.9974 -102.91 -171.102 -70.2798 PRESSAVG: 3298200 -23.2089 -22.8551 -13.1383 -22.8551 -1.44734 -32.0965 -13.1382 -32.0964 0.298244 GPRESSAVG: 3298200 -22.1524 -22.3885 -12.0394 -19.637 -2.24791 -31.8798 -14.5647 -32.5108 -0.481758 TIMING: 3298200 CPU: 10305.7, 0.00309438/step Wall: 10305.7, 0.00309438/step, 1.46278 hours remaining, 234.238281 MB of memory in use. ENERGY: 3298200 4044.3488 20385.8287 14406.6010 250.0376 -203112.9443 2773.0373 0.0000 0.0000 51850.5616 -109402.5294 297.9859 -161253.0910 -109040.5784 298.9176 24.1598 54.2216 761795.4754 -8.1193 -8.2940 PRESSURE: 3298400 222.222 -39.7756 70.6963 -39.7757 -14.3045 144.33 70.6963 144.331 349.344 GPRESSURE: 3298400 262.225 -86.3344 27.8532 55.1336 93.0536 114.031 61.2128 -31.8646 298.976 PRESSAVG: 3298400 11.041 21.0975 12.642 21.0975 3.29551 -17.2999 12.642 -17.2999 -18.9545 GPRESSAVG: 3298400 10.6025 20.9884 14.3114 19.5207 4.02333 -16.606 14.0964 -17.9739 -19.71 TIMING: 3298400 CPU: 10306.3, 0.00310445/step Wall: 10306.3, 0.00310445/step, 1.46737 hours remaining, 234.238281 MB of memory in use. ENERGY: 3298400 4018.9455 20537.0652 14397.2185 247.5471 -203145.6752 2766.5408 0.0000 0.0000 51897.2417 -109281.1163 298.2542 -161178.3581 -108924.8212 299.1577 185.7540 218.0848 763049.9595 -1.5393 -1.6947 PRESSURE: 3298600 -500.817 -96.0523 -126.279 -96.0523 80.2116 -67.3791 -126.279 -67.3796 -189.387 GPRESSURE: 3298600 -399.357 -46.6978 -168.356 -123.056 83.4762 -26.8431 -95.036 -41.9947 -195.667 PRESSAVG: 3298600 12.5349 15.7038 32.68 15.7037 28.9737 -5.45834 32.68 -5.45834 3.0553 GPRESSAVG: 3298600 12.953 17.6696 30.927 16.1779 27.7867 -5.03085 32.1118 -6.26811 4.48035 TIMING: 3298600 CPU: 10307, 0.00311303/step Wall: 10307, 0.00311303/step, 1.47125 hours remaining, 234.238281 MB of memory in use. ENERGY: 3298600 3986.0223 20351.0811 14393.7789 232.2816 -203349.2666 2707.4698 0.0000 0.0000 52074.1133 -109604.5195 299.2706 -161678.6328 -109226.1038 299.1592 -203.3309 -170.5160 763170.7328 14.8546 15.0733 PRESSURE: 3298800 -69.505 65.7168 17.0183 65.7166 -411.69 90.6359 17.0178 90.6359 83.7603 GPRESSURE: 3298800 -137.196 -44.7809 -31.8741 150.86 -260.829 71.7343 69.2351 135.208 80.0774 PRESSAVG: 3298800 29.5926 30.6243 4.15946 30.6244 -22.9891 -35.8793 4.1594 -35.8794 -14.1501 GPRESSAVG: 3298800 30.339 28.9297 3.45556 30.3273 -22.1659 -36.1734 4.10302 -35.0028 -16.1124 TIMING: 3298800 CPU: 10307.6, 0.00310275/step Wall: 10307.6, 0.00310275/step, 1.46622 hours remaining, 234.238281 MB of memory in use. ENERGY: 3298800 4027.1181 20576.2061 14483.5269 258.0042 -203616.8307 2694.7018 0.0000 0.0000 51985.5510 -109591.7226 298.7617 -161577.2736 -109224.1948 298.6502 -132.4784 -105.9827 762978.5455 -2.5156 -2.6464 PRESSURE: 3299000 4.10627 -242.309 44.5926 -242.31 429.967 -33.723 44.593 -33.7233 160.83 GPRESSURE: 3299000 -2.56823 -83.4048 21.9818 -178.537 458.403 -99.4324 24.9769 3.94604 212.025 PRESSAVG: 3299000 23.1419 42.4324 -18.3103 42.4324 -23.2357 12.7579 -18.3103 12.7578 -7.02387 GPRESSAVG: 3299000 20.1994 42.8685 -17.0639 42.8621 -21.9573 11.7748 -19.1156 14.4358 -5.51405 TIMING: 3299000 CPU: 10308.2, 0.00311538/step Wall: 10308.2, 0.00311538/step, 1.47202 hours remaining, 234.238281 MB of memory in use. ENERGY: 3299000 3962.7999 20421.5093 14482.0075 250.8111 -203295.8676 2590.3272 0.0000 0.0000 51923.0309 -109665.3817 298.4024 -161588.4126 -109292.5539 298.5380 198.3011 222.6198 760864.2119 -2.3726 -2.4240 PRESSURE: 3299200 -66.7783 -41.9525 -4.49576 -41.9527 -371.469 332.053 -4.49555 332.053 -79.9213 GPRESSURE: 3299200 -31.2949 11.7896 47.0947 54.814 -329.875 327.924 -39.675 497.752 -53.068 PRESSAVG: 3299200 -27.7687 -7.27052 -29.9489 -7.27058 0.0955677 2.73284 -29.9489 2.73289 13.8402 GPRESSAVG: 3299200 -27.4013 -7.40527 -31.8885 -5.35315 -0.382014 3.49493 -26.9759 2.7948 13.6322 TIMING: 3299200 CPU: 10308.8, 0.00310659/step Wall: 10308.8, 0.00310659/step, 1.46769 hours remaining, 234.238281 MB of memory in use. ENERGY: 3299200 4056.6569 20357.0210 14426.3570 230.4495 -203122.6706 2630.6292 0.0000 0.0000 51672.2423 -109749.3147 296.9611 -161421.5570 -109389.5161 298.5092 -172.7228 -138.0794 763804.9616 -4.6110 -4.7170 PRESSURE: 3299400 491.097 -60.2427 49.4426 -60.2423 23.2972 136.715 49.4416 136.715 103.293 GPRESSURE: 3299400 506.335 -133.063 125.242 -4.07069 17.7544 173.545 124.873 8.99506 157.202 PRESSAVG: 3299400 -26.1659 9.76343 -28.2402 9.76352 14.6434 -10.4341 -28.2401 -10.4341 -3.36961 GPRESSAVG: 3299400 -26.0163 9.76769 -26.4618 9.74234 14.8475 -11.0483 -28.2854 -11.4178 -4.37767 TIMING: 3299400 CPU: 10309.4, 0.00309286/step Wall: 10309.4, 0.00309286/step, 1.46103 hours remaining, 234.238281 MB of memory in use. ENERGY: 3299400 4025.9661 20457.4978 14494.5109 237.5724 -203796.1788 3177.3545 0.0000 0.0000 51815.7204 -109587.5568 297.7857 -161403.2771 -109220.5242 298.3126 205.8958 227.0972 763401.6698 -4.9640 -5.1822 PRESSURE: 3299600 -60.9564 -32.4441 -122.041 -32.4446 -158.6 149.335 -122.041 149.335 -20.7697 GPRESSURE: 3299600 -94.8197 1.76189 -167.698 29.673 -85.7839 79.0201 77.3775 85.5147 -11.9609 PRESSAVG: 3299600 -0.526386 -8.60505 -11.93 -8.60507 32.6565 -12.8598 -11.9299 -12.8598 11.5593 GPRESSAVG: 3299600 -0.125779 -7.23819 -11.276 -9.39625 32.1473 -13.8419 -12.1675 -13.3147 11.5979 TIMING: 3299600 CPU: 10310.1, 0.00310151/step Wall: 10310.1, 0.00310151/step, 1.46495 hours remaining, 234.238281 MB of memory in use. ENERGY: 3299600 4039.5783 20601.1770 14480.1154 234.7824 -203599.1038 2789.4861 0.0000 0.0000 51708.1178 -109745.8468 297.1673 -161453.9646 -109385.3964 298.1888 -80.1088 -64.1882 764226.4875 14.5632 14.5398 PRESSURE: 3299800 -303.306 -76.0113 77.9801 -76.0132 160.297 7.00269 77.9799 7.00289 -384.214 GPRESSURE: 3299800 -265.138 -162.352 14.9271 -68.7958 144.15 58.4306 148.396 -42.8907 -323.714 PRESSAVG: 3299800 -53.6722 55.8756 -17.5821 55.8756 -32.5912 -36.204 -17.5821 -36.204 -3.08313 GPRESSAVG: 3299800 -54.13 54.3357 -19.7123 56.0035 -33.5614 -36.2419 -16.3968 -34.7189 -1.74179 TIMING: 3299800 CPU: 10310.7, 0.0031051/step Wall: 10310.7, 0.0031051/step, 1.46647 hours remaining, 234.238281 MB of memory in use. ENERGY: 3299800 3952.8275 20561.4490 14455.6139 266.1953 -203501.5419 2920.1910 0.0000 0.0000 51846.2875 -109498.9775 297.9613 -161345.2651 -109138.5747 298.3652 -175.7410 -148.2340 764376.2181 -29.7822 -29.8111 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 3300000 WRITING COORDINATES TO RESTART FILE AT STEP 3300000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3300000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3300000 -72.4334 16.2126 -278.971 16.2125 -30.3905 -82.5043 -278.971 -82.5054 -481.729 GPRESSURE: 3300000 -139.659 -82.2955 -251.523 10.9971 26.294 -119.076 -314.418 29.6907 -384.603 PRESSAVG: 3300000 -24.149 9.86551 63.0925 9.86551 15.5535 -22.5214 63.0925 -22.5215 12.4125 GPRESSAVG: 3300000 -23.5142 12.1473 64.157 9.48346 15.7325 -21.5586 61.7845 -22.3724 11.7572 TIMING: 3300000 CPU: 10311.3, 0.00320979/step Wall: 10311.3, 0.00320979/step, 1.51573 hours remaining, 234.238281 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: 3300000 3895.3497 20535.2821 14429.8583 270.5727 -203316.9576 2783.0276 0.0000 0.0000 52010.3659 -109392.5014 298.9043 -161402.8672 -109031.6277 298.9491 -194.8508 -165.9894 762988.7437 1.2723 1.3252 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3300000 PRESSURE: 3300200 -210.735 -20.1163 52.6344 -20.1168 -119.197 250.94 52.6343 250.94 -153.061 GPRESSURE: 3300200 -263.979 -60.9769 -3.80738 -68.2382 -61.7353 289.18 91.3326 216.073 -68.5129 PRESSAVG: 3300200 37.1883 9.70015 39.4705 9.70015 13.342 18.0025 39.4706 18.0025 10.8237 GPRESSAVG: 3300200 37.9215 9.36099 39.6496 8.25851 13.2225 19.7643 38.3252 15.6675 10.1569 TIMING: 3300200 CPU: 10311.9, 0.0031029/step Wall: 10311.9, 0.0031029/step, 1.46508 hours remaining, 234.238281 MB of memory in use. ENERGY: 3300200 3925.9371 20664.8328 14388.7496 237.3500 -203381.3169 2933.2448 0.0000 0.0000 51724.8833 -109506.3194 297.2636 -161231.2027 -109152.0306 298.9930 -160.9974 -131.4089 763926.1419 20.4513 20.4336 LDB: ============= START OF LOAD BALANCING ============== 10324.4 LDB: ============== END OF LOAD BALANCING =============== 10324.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10324.4 LDB: ============= START OF LOAD BALANCING ============== 10324.7 LDB: Largest compute 6998 load 0.030202 is 15.5% of average load 0.195073 LDB: Average compute 0.004393 is 2.3% of average load 0.195073 LDB: TIME 10324.7 LOAD: AVG 0.195073 MAX 0.214207 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.293 MB LDB: TIME 10324.7 LOAD: AVG 0.195073 MAX 0.214207 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.293 MB LDB: TIME 10324.7 LOAD: AVG 0.195073 MAX 0.214207 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.293 MB LDB: ============== END OF LOAD BALANCING =============== 10324.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10324.7 PRESSURE: 3300400 234.623 112.201 0.0938077 112.2 -146.396 -124.312 0.0927094 -124.31 15.2136 GPRESSURE: 3300400 200.619 -136.706 25.9323 181.841 -148.196 -150.221 -53.9682 -70.0735 134.233 PRESSAVG: 3300400 12.0402 11.9183 41.2117 11.9183 -12.9725 -21.8888 41.2116 -21.8888 -19.5357 GPRESSAVG: 3300400 10.8193 8.1639 39.7555 13.2289 -13.7446 -21.8518 40.6725 -20.8546 -17.9963 TIMING: 3300400 CPU: 10312.6, 0.00318632/step Wall: 10312.6, 0.00318632/step, 1.5043 hours remaining, 233.402344 MB of memory in use. ENERGY: 3300400 3994.2697 20443.7083 14333.1543 260.5559 -203091.9482 2595.3239 0.0000 0.0000 51983.8025 -109481.1335 298.7516 -161464.9361 -109109.6594 298.7548 34.4800 62.2187 764780.1798 -6.8226 -6.9738 PRESSURE: 3300600 -293.827 56.5375 -33.1607 56.5367 -118.059 39.6552 -33.1608 39.6544 -62.0972 GPRESSURE: 3300600 -301.309 14.0965 -119.013 47.6515 -59.3697 27.3552 -42.2728 -56.2134 -18.0674 PRESSAVG: 3300600 -62.0061 -34.8665 -1.75271 -34.8665 60.0729 -30.2948 -1.75268 -30.2948 -2.36987 GPRESSAVG: 3300600 -60.1252 -31.6295 -0.0725346 -36.5996 61.4492 -30.4877 -1.3636 -31.0907 -4.92972 TIMING: 3300600 CPU: 10313.2, 0.00311724/step Wall: 10313.2, 0.00311724/step, 1.47151 hours remaining, 233.402344 MB of memory in use. ENERGY: 3300600 4045.8643 20553.8152 14425.4650 242.7474 -203204.6300 2528.7488 0.0000 0.0000 51940.7394 -109467.2498 298.5041 -161407.9892 -109113.2383 298.6233 -157.9944 -126.2488 763381.5078 -1.4344 -1.2019 PRESSURE: 3300800 -478.106 -8.15075 10.4885 -8.15117 -234.095 91.5866 10.4892 91.5864 -174.73 GPRESSURE: 3300800 -461.879 62.7205 80.5936 -54.2983 -144.04 66.8912 -136.155 40.1038 -193.805 PRESSAVG: 3300800 -31.4341 -42.4333 5.70569 -42.4333 -17.7168 -4.12473 5.70567 -4.12473 -12.1888 GPRESSAVG: 3300800 -32.4691 -45.1348 6.2686 -42.518 -17.5719 -4.93779 6.70181 -3.89838 -11.2869 TIMING: 3300800 CPU: 10313.8, 0.00311972/step Wall: 10313.8, 0.00311972/step, 1.47251 hours remaining, 233.402344 MB of memory in use. ENERGY: 3300800 3979.4301 20546.2948 14407.6861 260.2678 -202873.6913 2175.5677 0.0000 0.0000 51914.0831 -109590.3617 298.3509 -161504.4448 -109234.7859 298.4483 -295.6434 -266.5746 764186.9383 -20.4466 -20.4426 PRESSURE: 3301000 55.1634 -90.4087 -150.098 -90.41 -153.117 14.0825 -150.099 14.0838 61.8613 GPRESSURE: 3301000 124.857 -146.205 -135.877 -120.794 -66.6977 -32.3229 -64.3645 -61.0776 -17.7475 PRESSAVG: 3301000 -67.6565 47.6397 47.4982 47.6397 56.1752 5.04537 47.4981 5.04538 3.59812 GPRESSAVG: 3301000 -66.9459 49.1802 45.9728 47.4914 56.6863 5.99997 48.7826 5.14483 2.63151 TIMING: 3301000 CPU: 10314.4, 0.00310475/step Wall: 10314.4, 0.00310475/step, 1.46527 hours remaining, 233.402344 MB of memory in use. ENERGY: 3301000 3984.1727 20615.3198 14398.9842 252.2722 -203318.2217 2450.5258 0.0000 0.0000 52050.2575 -109566.6895 299.1335 -161616.9469 -109208.8022 299.4110 -12.0306 13.4704 762797.0767 -2.6277 -2.5427 PRESSURE: 3301200 -253.753 69.0971 211.132 69.0977 -325.204 -229.242 211.132 -229.241 -209.438 GPRESSURE: 3301200 -285.1 115.791 247.952 16.2432 -256.03 -138.545 194.116 -226.191 -164.533 PRESSAVG: 3301200 -6.04527 11.1776 62.4893 11.1777 -13.2487 81.5134 62.4893 81.5135 19.1294 GPRESSAVG: 3301200 -7.16195 11.0377 62.9313 12.3446 -12.9895 80.7798 63.2315 81.028 20.6084 TIMING: 3301200 CPU: 10315.1, 0.00311567/step Wall: 10315.1, 0.00311567/step, 1.47025 hours remaining, 233.402344 MB of memory in use. ENERGY: 3301200 4007.0090 20443.0762 14350.8240 246.2719 -203208.7864 2466.9307 0.0000 0.0000 52118.7514 -109575.9232 299.5272 -161694.6746 -109202.5562 298.8714 -262.7983 -235.2211 762801.0502 -0.0549 0.1523 PRESSURE: 3301400 -58.4499 46.982 -14.6008 46.9816 -128.372 72.2308 -14.6023 72.2296 -93.2756 GPRESSURE: 3301400 4.78841 64.4073 60.0973 215.921 -152.781 67.0595 -33.9448 125.419 -38.9415 PRESSAVG: 3301400 38.7103 -9.55541 8.04817 -9.5555 -41.4562 63.4278 8.04815 63.4279 3.16744 GPRESSAVG: 3301400 39.5502 -8.85731 10.5069 -8.6806 -43.002 63.5722 5.16064 63.367 3.41295 TIMING: 3301400 CPU: 10315.7, 0.00310208/step Wall: 10315.7, 0.00310208/step, 1.46366 hours remaining, 233.402344 MB of memory in use. ENERGY: 3301400 3989.3182 20482.8880 14401.4540 239.2078 -203315.1281 2674.1706 0.0000 0.0000 51960.3259 -109567.7634 298.6167 -161528.0893 -109212.2657 298.7873 -93.3660 -62.3114 763186.7146 0.1405 -0.0130 PRESSURE: 3301600 167.816 93.5625 -61.763 93.5629 -276.531 -217.643 -61.7639 -217.643 -433.524 GPRESSURE: 3301600 75.0986 97.1085 -86.8532 197.577 -216.326 -98.6325 -37.6884 -271.788 -303.441 PRESSAVG: 3301600 11.0652 42.8333 29.8359 42.8334 37.9383 41.7672 29.8359 41.7672 16.3303 GPRESSAVG: 3301600 10.9952 43.6476 28.393 42.7165 38.2453 40.5657 30.1153 43.3831 16.5389 TIMING: 3301600 CPU: 10316.3, 0.00310012/step Wall: 10316.3, 0.00310012/step, 1.46257 hours remaining, 233.402344 MB of memory in use. ENERGY: 3301600 4102.6564 20456.4911 14425.9711 262.4099 -203080.5659 2505.9465 0.0000 0.0000 51804.6685 -109522.4225 297.7221 -161327.0910 -109171.8328 298.5629 -180.7464 -148.2227 762358.0468 21.7779 21.9265 PRESSURE: 3301800 -401.571 105.524 -166.438 105.524 -42.0693 3.69927 -166.438 3.69985 -146.21 GPRESSURE: 3301800 -258.096 65.3934 -298.633 -113.017 -94.2781 -35.3634 -98.565 94.7058 -158.01 PRESSAVG: 3301800 -10.9014 33.6498 -21.2777 33.6498 4.98587 3.98411 -21.2778 3.98413 1.4475 GPRESSAVG: 3301800 -11.5223 31.9259 -22.2026 32.0605 6.04736 4.99236 -21.2351 3.91705 1.06881 TIMING: 3301800 CPU: 10316.9, 0.00310988/step Wall: 10316.9, 0.00310987/step, 1.467 hours remaining, 233.402344 MB of memory in use. ENERGY: 3301800 4020.9661 20495.0329 14373.8971 254.2848 -203224.6092 2585.8564 0.0000 0.0000 52050.6094 -109443.9625 299.1356 -161494.5719 -109094.5840 298.4886 -196.6165 -170.1279 763482.4466 -1.4894 -1.4687 PRESSURE: 3302000 -10.8929 -140.553 6.19771 -140.554 -208.319 140.218 6.19788 140.218 -349.666 GPRESSURE: 3302000 -73.0895 -86.9491 19.0445 -51.3521 -176.607 188.396 46.7431 -30.8709 -239.924 PRESSAVG: 3302000 69.4842 -4.24108 1.15322 -4.24099 -115.773 29.8938 1.15323 29.8938 7.82855 GPRESSAVG: 3302000 70.3202 -2.73784 2.52694 -3.46575 -116.773 29.7238 0.914959 30.3179 7.63145 TIMING: 3302000 CPU: 10317.6, 0.00311096/step Wall: 10317.6, 0.00311096/step, 1.46734 hours remaining, 233.402344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3302000 4073.1286 20532.0222 14481.9452 247.1121 -203089.6304 2613.6391 0.0000 0.0000 51932.1965 -109209.5869 298.4550 -161141.7834 -108857.4016 299.1334 -189.6258 -163.2070 763403.6274 -12.8202 -12.9404 PRESSURE: 3302200 -343.718 86.4151 -67.6765 86.4142 -325.537 -54.5704 -67.6769 -54.5712 -117.615 GPRESSURE: 3302200 -265.838 124.006 -147.405 123.487 -259.199 -83.4598 -104.647 -133.802 -164.071 PRESSAVG: 3302200 -15.6791 31.2629 -16.3329 31.2628 -10.1591 -37.391 -16.3329 -37.3911 26.2761 GPRESSAVG: 3302200 -15.6761 27.9239 -19.4171 32.7779 -10.155 -38.4779 -16.6479 -36.7739 25.9657 TIMING: 3302200 CPU: 10318.2, 0.00310219/step Wall: 10318.2, 0.00310219/step, 1.46303 hours remaining, 233.402344 MB of memory in use. ENERGY: 3302200 4005.8678 20458.9956 14445.8606 242.3608 -203100.6790 2563.2731 0.0000 0.0000 51927.7466 -109456.5745 298.4295 -161384.3211 -109091.8676 299.3859 -262.2904 -229.7029 764449.3023 0.1459 0.0449 PRESSURE: 3302400 -48.7471 59.443 -36.7654 59.4437 170.881 78.0824 -36.7659 78.0816 331.233 GPRESSURE: 3302400 25.8012 96.3855 -55.2308 90.4504 183.545 59.6368 -38.874 103.791 335.521 PRESSAVG: 3302400 17.7508 26.8305 24.0844 26.8305 0.426508 55.041 24.0844 55.041 2.72004 GPRESSAVG: 3302400 17.0736 28.4836 26.112 25.581 0.155273 55.8335 25.2642 53.4091 3.58068 TIMING: 3302400 CPU: 10318.8, 0.003108/step Wall: 10318.8, 0.003108/step, 1.4656 hours remaining, 233.402344 MB of memory in use. ENERGY: 3302400 3967.9359 20557.7626 14360.0132 242.2328 -203378.9858 2818.5410 0.0000 0.0000 51983.0782 -109449.4220 298.7475 -161432.5002 -109096.0892 298.7066 151.1225 181.6222 762065.3247 6.9658 6.9365 PRESSURE: 3302600 20.4976 40.9719 160.903 40.9726 -16.4491 -32.6642 160.903 -32.664 4.50097 GPRESSURE: 3302600 73.5794 -26.1544 208.966 119.55 37.7788 37.198 146.207 2.70088 -10.2347 PRESSAVG: 3302600 18.9516 -12.0772 -26.6028 -12.0771 -16.454 16.2801 -26.6027 16.28 -15.4081 GPRESSAVG: 3302600 18.387 -11.7776 -25.0577 -12.0976 -16.189 15.7996 -29.2953 16.7261 -14.5865 TIMING: 3302600 CPU: 10319.4, 0.00311493/step Wall: 10319.4, 0.00311493/step, 1.46869 hours remaining, 233.402344 MB of memory in use. ENERGY: 3302600 3960.1584 20390.6728 14435.3439 245.9230 -203067.9913 2634.7199 0.0000 0.0000 51857.0084 -109544.1649 298.0229 -161401.1732 -109192.4421 298.6334 2.8498 33.7079 762944.1895 -4.3035 -4.1295 PRESSURE: 3302800 65.0597 -109.933 61.6344 -109.933 163.907 314.748 61.6336 314.748 16.8347 GPRESSURE: 3302800 176.155 -75.421 4.90267 -107.889 160.339 304.896 245.322 152.928 -13.0172 PRESSAVG: 3302800 35.2033 1.64297 68.5046 1.64298 28.344 27.8111 68.5045 27.8111 7.20242 GPRESSAVG: 3302800 36.4286 1.46212 67.9627 0.475648 27.5326 26.355 70.8811 28.9259 6.53533 TIMING: 3302800 CPU: 10320, 0.00310502/step Wall: 10320, 0.00310502/step, 1.46384 hours remaining, 233.402344 MB of memory in use. ENERGY: 3302800 3924.5425 20482.6827 14444.0535 245.3120 -203464.6830 3036.6670 0.0000 0.0000 51909.9335 -109421.4918 298.3271 -161331.4253 -109053.3639 298.6736 81.9337 107.8255 761458.1259 23.5832 23.4988 PRESSURE: 3303000 -43.7674 -196.304 -313.672 -196.303 170.229 -39.8411 -313.671 -39.8412 -484.091 GPRESSURE: 3303000 -48.007 9.96113 -410.67 -172.091 184.056 -5.04155 -277.047 -38.6804 -399.565 PRESSAVG: 3303000 -19.1545 31.1142 13.8626 31.1142 -19.1814 39.0028 13.8626 39.0029 -12.6682 GPRESSAVG: 3303000 -19.68 32.1698 11.5993 29.6921 -18.6787 41.1189 15.0971 38.1969 -11.872 TIMING: 3303000 CPU: 10320.7, 0.00310994/step Wall: 10320.7, 0.00310994/step, 1.46599 hours remaining, 233.402344 MB of memory in use. ENERGY: 3303000 3953.5794 20552.3661 14468.0077 229.9130 -202731.8153 2467.3908 0.0000 0.0000 51834.5270 -109226.0314 297.8937 -161060.5584 -108862.6344 299.1483 -119.2097 -87.8387 765287.8097 -17.0014 -16.7436 PRESSURE: 3303200 -47.4248 43.7268 -62.3029 43.726 -196.555 -172.348 -62.3021 -172.348 7.41606 GPRESSURE: 3303200 -20.9097 133.67 38.7051 71.6554 -23.0579 -233.247 -224.888 -145.773 -119.848 PRESSAVG: 3303200 18.4145 2.99564 -66.1107 2.99566 -57.5825 23.4474 -66.1107 23.4473 -19.2973 GPRESSAVG: 3303200 18.2767 3.10177 -63.4458 5.70367 -56.3011 23.1932 -66.4241 21.388 -20.6902 TIMING: 3303200 CPU: 10321.3, 0.00312291/step Wall: 10321.3, 0.00312291/step, 1.47193 hours remaining, 233.402344 MB of memory in use. ENERGY: 3303200 3994.0963 20555.2893 14484.3522 236.9855 -203452.7116 2942.5547 0.0000 0.0000 52037.2000 -109202.2334 299.0585 -161239.4334 -108851.9058 298.9736 -78.8545 -54.6054 764427.1506 -19.4884 -19.5715 PRESSURE: 3303400 -242.31 84.1177 -158.227 84.1174 230.328 -47.0986 -158.226 -47.0985 -331.274 GPRESSURE: 3303400 -205.316 47.3136 -178.137 100.268 248.913 22.9841 -101.359 -69.6017 -308.498 PRESSAVG: 3303400 17.359 63.3175 -24.7111 63.3175 -34.4421 -26.381 -24.7111 -26.381 17.706 GPRESSAVG: 3303400 17.6995 62.9981 -25.8228 61.6639 -36.1726 -26.1961 -25.3911 -26.6068 18.488 TIMING: 3303400 CPU: 10321.9, 0.0031074/step Wall: 10321.9, 0.00310741/step, 1.46445 hours remaining, 233.402344 MB of memory in use. ENERGY: 3303400 3979.5667 20656.6024 14365.7734 246.1877 -203237.6886 2712.1707 0.0000 0.0000 51880.4064 -109396.9813 298.1574 -161277.3877 -109034.8644 299.0718 -114.4186 -88.3001 763572.1381 0.2077 0.0050 PRESSURE: 3303600 64.1036 -74.2142 52.6224 -74.2135 -145.384 170.129 52.6223 170.129 34.9899 GPRESSURE: 3303600 1.45421 -60.597 88.9986 -110.962 -12.6807 237.179 83.9857 128.23 60.116 PRESSAVG: 3303600 28.4875 -12.1869 8.96095 -12.1869 -33.5037 28.6178 8.96093 28.6178 -14.7944 GPRESSAVG: 3303600 27.4756 -13.3434 9.83623 -9.60792 -32.2382 28.5185 10.0043 30.5092 -14.971 TIMING: 3303600 CPU: 10322.5, 0.00310011/step Wall: 10322.5, 0.00310011/step, 1.46084 hours remaining, 233.402344 MB of memory in use. ENERGY: 3303600 3980.4268 20566.4528 14475.8061 246.8997 -203083.9169 2582.5851 0.0000 0.0000 52097.8845 -109133.8617 299.4073 -161231.7463 -108770.8574 298.8016 -15.4302 16.2965 764678.2954 -6.6035 -6.5779 PRESSURE: 3303800 -292.333 -27.6449 179.576 -27.646 -53.8149 -153.483 179.576 -153.484 -251.572 GPRESSURE: 3303800 -254.05 -54.9447 220.45 -77.8562 -20.3744 -155.008 67.7156 -189.719 -245.925 PRESSAVG: 3303800 39.8846 -15.221 57.6232 -15.221 -57.4492 -4.67257 57.6232 -4.67253 6.60068 GPRESSAVG: 3303800 41.6599 -13.8217 58.1983 -16.4099 -57.6669 -4.31554 57.7802 -3.44391 4.98816 TIMING: 3303800 CPU: 10323.1, 0.00308566/step Wall: 10323.1, 0.00308566/step, 1.45386 hours remaining, 233.402344 MB of memory in use. ENERGY: 3303800 3971.1744 20601.4152 14402.7445 246.6581 -203333.0117 2854.4990 0.0000 0.0000 52127.8921 -109128.6284 299.5797 -161256.5205 -108764.6280 299.5248 -199.2402 -173.4496 765354.3563 -3.6547 -3.6730 PRESSURE: 3304000 72.744 -75.6189 -75.6252 -75.6186 321.586 -82.3823 -75.6257 -82.3823 -359.189 GPRESSURE: 3304000 109.624 -25.8543 -191.193 -159.138 379.996 -10.7056 31.5486 -198.671 -393.449 PRESSAVG: 3304000 -14.7014 44.653 84.7226 44.6529 37.4701 -26.5542 84.7226 -26.5541 0.354998 GPRESSAVG: 3304000 -14.4395 43.3709 82.9075 42.7977 36.3263 -27.266 82.2056 -26.631 1.38275 TIMING: 3304000 CPU: 10323.8, 0.00309733/step Wall: 10323.8, 0.00309733/step, 1.45919 hours remaining, 233.402344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3304000 4064.4917 20537.4203 14436.8241 249.5365 -203182.3057 2597.4762 0.0000 0.0000 52235.1803 -109061.3766 300.1963 -161296.5569 -108703.5839 299.3289 11.7137 32.0569 763080.0499 7.7079 7.7565 PRESSURE: 3304200 -2.64868 -172.974 82.5076 -172.975 97.1183 74.7118 82.5075 74.7115 294.992 GPRESSURE: 3304200 6.89378 -160.712 75.8272 -216.381 118.015 116.239 -104.604 42.5211 331.381 PRESSAVG: 3304200 -5.49608 -22.8232 8.32404 -22.8232 6.40282 -21.1833 8.32403 -21.1832 30.0009 GPRESSAVG: 3304200 -7.46668 -22.5687 8.94243 -21.8412 7.73641 -20.6555 8.11903 -21.6629 29.4351 TIMING: 3304200 CPU: 10324.4, 0.00311317/step Wall: 10324.4, 0.00311317/step, 1.46647 hours remaining, 233.402344 MB of memory in use. ENERGY: 3304200 3964.6226 20781.7926 14470.4355 240.0489 -203094.6069 2666.8696 0.0000 0.0000 51894.6144 -109076.2233 298.2391 -160970.8377 -108725.0572 300.2838 129.8205 152.0966 762053.0683 10.3025 9.9016 LDB: ============= START OF LOAD BALANCING ============== 10336.9 LDB: ============== END OF LOAD BALANCING =============== 10336.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10336.9 LDB: ============= START OF LOAD BALANCING ============== 10337.2 LDB: Largest compute 6998 load 0.030932 is 15.9% of average load 0.195127 LDB: Average compute 0.004396 is 2.3% of average load 0.195127 LDB: TIME 10337.2 LOAD: AVG 0.195127 MAX 0.215613 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.457 MB LDB: TIME 10337.2 LOAD: AVG 0.195127 MAX 0.215613 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.457 MB LDB: TIME 10337.2 LOAD: AVG 0.195127 MAX 0.215613 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.457 MB LDB: ============== END OF LOAD BALANCING =============== 10337.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10337.2 PRESSURE: 3304400 59.2856 -62.0369 -108.886 -62.0372 -142.412 -146.975 -108.885 -146.975 -168.845 GPRESSURE: 3304400 122.492 -82.2614 -75.8856 -52.5791 -158.042 -156.146 -48.8709 -119.972 -112.382 PRESSAVG: 3304400 19.8074 6.03682 8.40638 6.03678 -19.3598 -3.88945 8.4064 -3.88947 -8.82278 GPRESSAVG: 3304400 20.7487 5.98593 7.62142 6.29505 -20.8604 -3.5231 10.9459 -2.80196 -8.07134 TIMING: 3304400 CPU: 10325, 0.00318283/step Wall: 10325, 0.00318283/step, 1.49911 hours remaining, 233.457031 MB of memory in use. ENERGY: 3304400 4039.8912 20507.8947 14411.2279 251.4462 -203056.1650 2583.5491 0.0000 0.0000 52290.3800 -108971.7758 300.5135 -161262.1558 -108604.3198 299.3983 -83.9905 -49.3107 762342.6265 -2.7917 -2.7277 PRESSURE: 3304600 -100.881 -312.331 -10.0743 -312.331 -237.113 -215.769 -10.0731 -215.769 249.517 GPRESSURE: 3304600 -51.3802 -114.991 14.7579 -303.438 -177.993 -172.23 13.4893 -240.291 244.406 PRESSAVG: 3304600 22.761 17.9187 58.2973 17.9187 20.1791 -23.1917 58.2973 -23.1916 -14.9726 GPRESSAVG: 3304600 22.5807 16.7168 59.6599 19.091 20.3264 -21.7138 56.0697 -25.6861 -15.1681 TIMING: 3304600 CPU: 10325.6, 0.0031184/step Wall: 10325.6, 0.0031184/step, 1.46859 hours remaining, 233.457031 MB of memory in use. ENERGY: 3304600 4011.2036 20548.6503 14365.1679 253.9791 -203128.4684 2841.0047 0.0000 0.0000 52269.6189 -108838.8439 300.3942 -161108.4628 -108466.8400 300.3083 -29.4922 5.0109 763699.4900 9.3225 9.2463 PRESSURE: 3304800 -55.4064 104.715 -192.105 104.715 -121.224 -67.0964 -192.105 -67.0961 -365.193 GPRESSURE: 3304800 -1.01331 203.491 -205.606 120.885 -101.257 -42.9414 -35.7278 109.068 -358.79 PRESSAVG: 3304800 57.3589 32.6073 -30.2155 32.6072 -43.9041 -14.3244 -30.2155 -14.3243 -11.9822 GPRESSAVG: 3304800 57.9781 34.3786 -30.1332 30.8106 -44.2523 -14.9572 -27.8574 -13.2518 -12.4908 TIMING: 3304800 CPU: 10326.3, 0.00311825/step Wall: 10326.3, 0.00311825/step, 1.46835 hours remaining, 233.457031 MB of memory in use. ENERGY: 3304800 3963.3310 20512.5113 14451.6111 257.0794 -202761.4358 2623.6428 0.0000 0.0000 52196.5922 -108756.6680 299.9745 -160953.2603 -108372.6206 299.3940 -180.6079 -153.6868 764354.0056 0.4909 0.4116 PRESSURE: 3305000 -260.778 121.248 64.9731 121.247 103.956 -196.257 64.9732 -196.256 195.742 GPRESSURE: 3305000 -227.094 70.0106 67.8511 249.466 149.638 -245.823 60.3323 -241.617 204.525 PRESSAVG: 3305000 -3.18057 36.636 -47.0931 36.636 13.0638 9.32601 -47.0931 9.32596 2.7145 GPRESSAVG: 3305000 -4.35325 37.5459 -48.2914 36.5758 13.7944 7.18238 -47.5634 9.95069 3.46296 TIMING: 3305000 CPU: 10326.9, 0.00311721/step Wall: 10326.9, 0.00311721/step, 1.46769 hours remaining, 233.457031 MB of memory in use. ENERGY: 3305000 4013.6478 20562.9066 14401.4429 244.6595 -203452.5527 3132.5029 0.0000 0.0000 52157.7379 -108939.6550 299.7512 -161097.3929 -108567.5707 300.1127 12.9732 42.3564 763732.2983 4.1993 4.3014 PRESSURE: 3305200 -443.977 65.9049 -152.779 65.9061 -80.6441 -7.68364 -152.779 -7.68318 -148.202 GPRESSURE: 3305200 -427.484 84.6192 -191.219 -34.7216 -13.9818 -58.1518 -117.224 -18.7795 -155.605 PRESSAVG: 3305200 43.6899 53.5343 6.00747 53.5343 -18.2955 -5.82866 6.00747 -5.82866 -1.0878 GPRESSAVG: 3305200 44.755 52.7242 6.17025 55.1948 -19.4927 -3.92667 4.98739 -5.67028 -1.26016 TIMING: 3305200 CPU: 10327.5, 0.00311368/step Wall: 10327.5, 0.00311368/step, 1.46585 hours remaining, 233.457031 MB of memory in use. ENERGY: 3305200 3941.6092 20382.3828 14420.1485 243.7967 -202986.2410 2624.6922 0.0000 0.0000 52340.6499 -109032.9617 300.8024 -161373.6116 -108667.8382 299.7469 -224.2744 -199.0234 763737.7370 8.1022 8.0007 PRESSURE: 3305400 16.4871 -213.697 -136.795 -213.697 -140.062 60.9973 -136.795 60.9981 117.692 GPRESSURE: 3305400 16.9052 -224.842 -111.644 -226.013 -109.402 60.6228 -41.9155 82.6502 177.76 PRESSAVG: 3305400 60.7115 -17.8727 -44.0961 -17.8728 -34.9015 -29.5317 -44.0961 -29.5317 -8.44611 GPRESSAVG: 3305400 61.4863 -20.0231 -43.4633 -17.911 -36.1951 -28.318 -44.4129 -31.4317 -7.86146 TIMING: 3305400 CPU: 10328.1, 0.0031352/step Wall: 10328.1, 0.0031352/step, 1.47581 hours remaining, 233.457031 MB of memory in use. ENERGY: 3305400 3986.9270 20521.5941 14467.9128 233.0570 -203240.9148 2826.3597 0.0000 0.0000 52214.3096 -108990.7545 300.0764 -161205.0641 -108627.7457 300.0303 -1.9611 28.4210 763840.9893 5.7880 5.8099 PRESSURE: 3305600 179.41 -197.362 173.797 -197.361 -120.074 170.23 173.796 170.23 232.208 GPRESSURE: 3305600 281.061 -159.589 187.439 -245.958 -105.016 147.423 119.525 146.647 176.526 PRESSAVG: 3305600 -42.1734 -6.0983 -78.2213 -6.09833 40.6797 54.6441 -78.2213 54.6441 31.4744 GPRESSAVG: 3305600 -43.2755 -6.81391 -79.5556 -5.61569 41.953 55.212 -77.5769 53.9642 31.2174 TIMING: 3305600 CPU: 10328.8, 0.00313981/step Wall: 10328.8, 0.00313981/step, 1.4778 hours remaining, 233.457031 MB of memory in use. ENERGY: 3305600 4053.2596 20653.7995 14481.1660 243.0841 -203230.0894 2827.1783 0.0000 0.0000 52221.3359 -108750.2660 300.1167 -160971.6019 -108397.2097 299.2695 97.1811 117.5237 762726.7513 9.9935 9.9650 PRESSURE: 3305800 -317.175 -22.2576 -233.218 -22.2578 -247.624 15.5839 -233.219 15.5839 -198.593 GPRESSURE: 3305800 -384.276 -117.941 -140.7 41.6235 -170.448 -25.9928 -247.981 178.177 -124.348 PRESSAVG: 3305800 -34.6908 -23.4382 -17.1386 -23.4382 6.53832 32.4524 -17.1386 32.4523 4.22649 GPRESSAVG: 3305800 -34.427 -21.2738 -15.4655 -24.2019 7.20077 29.8513 -17.8159 34.5007 2.45599 TIMING: 3305800 CPU: 10329.4, 0.00312759/step Wall: 10329.4, 0.00312759/step, 1.47188 hours remaining, 233.457031 MB of memory in use. ENERGY: 3305800 4012.9889 20533.2701 14449.6028 246.8750 -202959.6301 2630.4532 0.0000 0.0000 52294.2968 -108792.1434 300.5360 -161086.4401 -108424.1928 300.1387 -254.4641 -226.3574 764159.8322 -7.9753 -8.2567 PRESSURE: 3306000 -26.1988 -198.154 -33.8651 -198.153 441.147 -302.063 -33.8645 -302.063 404.852 GPRESSURE: 3306000 9.02983 -303.084 -87.6672 -194.764 488.443 -281.877 73.8359 -133.051 405.442 PRESSAVG: 3306000 -28.1597 11.5305 -31.5397 11.5305 -37.0853 -35.4924 -31.5397 -35.4924 12.1527 GPRESSAVG: 3306000 -26.6876 9.23863 -31.6173 12.4454 -38.7717 -34.6134 -30.404 -35.066 12.2474 TIMING: 3306000 CPU: 10330, 0.00310801/step Wall: 10330, 0.00310801/step, 1.46249 hours remaining, 233.457031 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: 3306000 3978.1326 20523.7970 14459.9708 229.9563 -203275.1311 2836.1663 0.0000 0.0000 52404.8287 -108842.2793 301.1713 -161247.1080 -108473.6747 300.0709 273.2665 300.9715 762712.3764 -17.6974 -17.7373 PRESSURE: 3306200 -66.6138 34.5411 80.623 34.5419 -51.732 35.7179 80.6241 35.7183 285.033 GPRESSURE: 3306200 -48.5269 83.3778 1.22081 52.3976 1.26187 -11.1916 60.7667 -7.75648 307.499 PRESSAVG: 3306200 -1.69535 -47.2718 -3.94217 -47.2718 18.8249 -33.3847 -3.9422 -33.3846 27.4198 GPRESSAVG: 3306200 -1.71476 -46.0739 -4.32628 -46.7923 19.036 -35.4485 -4.46797 -33.9881 27.0486 TIMING: 3306200 CPU: 10330.6, 0.00310326/step Wall: 10330.6, 0.00310326/step, 1.46008 hours remaining, 233.457031 MB of memory in use. ENERGY: 3306200 4027.8929 20493.1952 14445.5175 246.6082 -203152.0553 2751.6072 0.0000 0.0000 52111.4909 -109075.7434 299.4855 -161187.2343 -108719.5693 300.4358 55.5623 86.7448 762633.2077 14.8498 14.7899 PRESSURE: 3306400 27.2167 -133.391 305.945 -133.391 4.839 264.313 305.945 264.313 511.412 GPRESSURE: 3306400 60.9821 -74.3999 270.494 -85.3563 17.9777 221.379 270.907 227.98 555.81 PRESSAVG: 3306400 45.5918 -1.04034 -42.8878 -1.04034 -4.20147 -27.9115 -42.8878 -27.9114 -17.2438 GPRESSAVG: 3306400 46.1455 -0.987894 -41.7864 0.665209 -3.90396 -25.5402 -44.2873 -28.8622 -18.1494 TIMING: 3306400 CPU: 10331.3, 0.00310556/step Wall: 10331.3, 0.00310556/step, 1.46099 hours remaining, 233.457031 MB of memory in use. ENERGY: 3306400 3996.2764 20502.4574 14474.6413 249.4109 -203616.9631 3073.7479 0.0000 0.0000 51895.7648 -109424.6644 298.2457 -161320.4292 -109055.9948 299.5358 181.1559 211.5901 762508.9832 8.0488 8.0307 PRESSURE: 3306600 134.934 -57.3915 -221.347 -57.3925 454.687 -102.604 -221.349 -102.605 185.894 GPRESSURE: 3306600 230.687 26.955 -265.989 -116.292 498.5 -105.672 -91.2165 -90.2892 123.887 PRESSAVG: 3306600 0.0158203 -2.43408 45.5071 -2.43405 23.4254 -8.35174 45.5072 -8.35179 -6.1745 GPRESSAVG: 3306600 0.486896 -0.973754 45.1873 -5.29163 22.4687 -9.55822 45.7727 -8.65707 -5.09664 TIMING: 3306600 CPU: 10331.9, 0.00311046/step Wall: 10331.9, 0.00311046/step, 1.46312 hours remaining, 233.457031 MB of memory in use. ENERGY: 3306600 3960.7091 20577.5561 14413.1548 256.0415 -203921.2352 3099.2076 0.0000 0.0000 52234.8465 -109379.7197 300.1944 -161614.5662 -109010.6251 299.6837 258.5051 284.3580 761995.0750 5.7556 5.9530 PRESSURE: 3306800 161.164 91.3601 178.486 91.3608 202.956 72.8139 178.487 72.8135 106.374 GPRESSURE: 3306800 170.823 110.69 164.363 88.7152 325.077 126.205 110.573 129.44 68.8566 PRESSAVG: 3306800 16.0562 -37.9196 -29.5742 -37.9196 -45.5025 22.3014 -29.5742 22.3014 -12.8847 GPRESSAVG: 3306800 16.5481 -39.9728 -29.5612 -36.6216 -45.9832 24.6383 -27.1755 23.6161 -13.0704 TIMING: 3306800 CPU: 10332.5, 0.0030947/step Wall: 10332.5, 0.0030947/step, 1.45554 hours remaining, 233.457031 MB of memory in use. ENERGY: 3306800 3924.5260 20608.2839 14355.9526 264.5081 -203711.6259 2941.8872 0.0000 0.0000 52109.2660 -109507.2021 299.4727 -161616.4681 -109141.9919 298.5745 156.8312 188.2522 762299.2219 -14.1103 -14.1685 PRESSURE: 3307000 -9.73976 -55.7853 25.0482 -55.7852 -169.508 -73.7696 25.0484 -73.7701 -330.197 GPRESSURE: 3307000 -6.78075 -60.0685 -60.1757 -21.1828 -131.945 -146.933 -106.682 -78.2078 -277.814 PRESSAVG: 3307000 18.0791 -37.4118 -43.8158 -37.4118 -25.2799 -17.7518 -43.8158 -17.7518 25.8345 GPRESSAVG: 3307000 14.8797 -37.4358 -45.8635 -37.945 -24.1351 -19.8533 -44.1112 -16.1849 27.8501 TIMING: 3307000 CPU: 10333.1, 0.00311148/step Wall: 10333.1, 0.00311148/step, 1.46326 hours remaining, 233.457031 MB of memory in use. ENERGY: 3307000 4049.5412 20620.5907 14448.9584 234.5637 -203350.1266 2515.4418 0.0000 0.0000 51950.0586 -109530.9721 298.5577 -161481.0307 -109168.4599 298.9892 -169.8149 -138.8467 761713.7119 6.2112 6.1982 PRESSURE: 3307200 -222.204 -148.497 -88.2056 -148.497 -392.474 -118.227 -88.2057 -118.228 -304.796 GPRESSURE: 3307200 -305.989 -166.84 -17.1421 -138.653 -294.132 -59.4391 -162.219 -106.31 -236.198 PRESSAVG: 3307200 11.7475 -66.4537 -18.2814 -66.4538 -29.5825 6.55885 -18.2815 6.55887 12.6926 GPRESSAVG: 3307200 12.874 -65.6622 -16.8979 -66.9152 -29.1879 7.69833 -20.2859 5.04517 11.2014 TIMING: 3307200 CPU: 10333.7, 0.00310508/step Wall: 10333.7, 0.00310508/step, 1.46008 hours remaining, 233.457031 MB of memory in use. ENERGY: 3307200 4079.3685 20528.1639 14468.1109 238.6430 -203038.5788 2332.9802 0.0000 0.0000 51974.2807 -109417.0316 298.6969 -161391.3123 -109053.5910 298.9345 -306.4916 -278.7732 762163.1365 -1.7141 -1.7042 PRESSURE: 3307400 -274.081 44.8228 168.567 44.8225 -210.291 65.447 168.568 65.4465 -102.838 GPRESSURE: 3307400 -321.111 -23.6103 16.5375 85.1409 -62.0987 94.1341 159.312 -79.0523 -115.183 PRESSAVG: 3307400 28.5801 -32.1294 -42.7352 -32.1295 -20.359 -27.9519 -42.7352 -27.9518 -19.6615 GPRESSAVG: 3307400 29.8465 -33.3381 -42.4611 -32.8596 -21.5117 -28.4813 -42.9127 -30.2114 -20.0247 TIMING: 3307400 CPU: 10334.4, 0.00310052/step Wall: 10334.4, 0.00310052/step, 1.45776 hours remaining, 233.457031 MB of memory in use. ENERGY: 3307400 4026.0851 20605.6594 14303.0433 257.2755 -202953.3852 2373.9857 0.0000 0.0000 52077.1929 -109310.1434 299.2883 -161387.3362 -108942.2714 299.4517 -195.7365 -166.1309 762833.7238 -3.8135 -3.8967 PRESSURE: 3307600 -237.452 64.7805 -189.74 64.7799 78.4816 -166.715 -189.739 -166.717 -8.81682 GPRESSURE: 3307600 -70.0708 110.96 -154.603 -10.2469 -16.6973 -138.779 -198.585 -128.221 0.707589 PRESSAVG: 3307600 -27.5431 -20.3979 -91.4083 -20.3979 24.0973 -1.24694 -91.4082 -1.24698 11.6902 GPRESSAVG: 3307600 -28.8284 -17.8089 -89.4464 -20.5358 23.4704 -1.41291 -92.6233 0.469187 12.9629 TIMING: 3307600 CPU: 10335, 0.00309794/step Wall: 10335, 0.00309794/step, 1.45638 hours remaining, 233.457031 MB of memory in use. ENERGY: 3307600 4002.4118 20614.8825 14385.1063 227.2079 -203250.2735 2685.3666 0.0000 0.0000 51920.4142 -109414.8842 298.3873 -161335.2984 -109048.1269 299.6597 -55.9289 -28.6869 762261.0814 2.7481 2.5350 PRESSURE: 3307800 -84.72 57.7381 -57.9689 57.7383 243.482 187.96 -57.9703 187.96 429.854 GPRESSURE: 3307800 -59.1601 6.98885 -46.5507 167.189 322.665 202.378 15.0591 157.508 401.159 PRESSAVG: 3307800 -34.604 6.39475 -98.6562 6.39484 -8.59629 -38.0561 -98.6561 -38.0561 3.46024 GPRESSAVG: 3307800 -32.9872 4.9982 -99.7031 8.34372 -7.96519 -39.6455 -96.4148 -36.5352 1.738 TIMING: 3307800 CPU: 10335.6, 0.0030958/step Wall: 10335.6, 0.0030958/step, 1.4552 hours remaining, 233.457031 MB of memory in use. ENERGY: 3307800 3971.9976 20436.4616 14435.0577 255.7878 -203404.2492 2770.1398 0.0000 0.0000 52018.2652 -109516.5395 298.9497 -161534.8047 -109155.8008 298.5098 196.2053 221.5546 761790.6309 -13.2467 -13.0715 PRESSURE: 3308000 413.372 -79.5784 -25.1369 -79.579 111.071 25.2329 -25.137 25.2329 454.787 GPRESSURE: 3308000 336.609 75.8675 -112.452 -154.208 216.562 55.921 61.126 153.459 506.83 PRESSAVG: 3308000 21.2305 25.0961 -49.913 25.0961 -38.1101 15.8709 -49.9131 15.8709 -3.98966 GPRESSAVG: 3308000 20.4683 24.5927 -51.3146 22.5917 -37.4482 17.1632 -50.1518 15.5956 -4.65709 TIMING: 3308000 CPU: 10336.2, 0.00310235/step Wall: 10336.2, 0.00310235/step, 1.4581 hours remaining, 233.457031 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: 3308000 3982.9501 20334.3045 14411.3868 247.3251 -203492.0033 2891.3338 0.0000 0.0000 52157.3451 -109467.3578 299.7490 -161624.7029 -109110.1527 298.7123 326.4100 353.3335 759700.1053 -6.9564 -7.2123 PRESSURE: 3308200 18.3743 -26.5545 -188.59 -26.5549 -64.2135 -22.9206 -188.589 -22.921 -3.39377 GPRESSURE: 3308200 47.8261 -104.481 -150.17 -76.3265 8.13984 -74.3121 -203.746 13.2575 -19.8586 PRESSAVG: 3308200 4.42131 50.5313 -73.7686 50.5314 24.4305 15.0951 -73.7686 15.0952 3.05227 GPRESSAVG: 3308200 5.30103 50.0599 -73.8724 50.4945 23.1427 15.0221 -74.3755 15.9582 3.69302 TIMING: 3308200 CPU: 10336.8, 0.00311249/step Wall: 10336.8, 0.00311249/step, 1.4627 hours remaining, 233.457031 MB of memory in use. ENERGY: 3308200 4015.0801 20476.4695 14402.9690 234.4262 -203489.4228 2879.5191 0.0000 0.0000 51747.6234 -109733.3354 297.3943 -161480.9588 -109376.1269 298.5099 -16.4110 12.0358 761332.5247 10.6347 10.7123 LDB: ============= START OF LOAD BALANCING ============== 10349.3 LDB: ============== END OF LOAD BALANCING =============== 10349.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10349.3 LDB: ============= START OF LOAD BALANCING ============== 10349.6 LDB: Largest compute 6998 load 0.028004 is 14.3% of average load 0.195151 LDB: Average compute 0.004371 is 2.2% of average load 0.195151 LDB: TIME 10349.6 LOAD: AVG 0.195151 MAX 0.217636 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235 MB LDB: TIME 10349.6 LOAD: AVG 0.195151 MAX 0.217636 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235 MB LDB: TIME 10349.6 LOAD: AVG 0.195151 MAX 0.217636 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235 MB LDB: ============== END OF LOAD BALANCING =============== 10349.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10349.6 PRESSURE: 3308400 -551.463 -163.366 182.212 -163.366 -214.482 -112.999 182.212 -112.998 -215.684 GPRESSURE: 3308400 -475.71 -102.571 146.378 -152.736 -161.602 -67.9167 113.613 -198.928 -275.202 PRESSAVG: 3308400 -47.8757 -3.17388 -29.7471 -3.17392 75.9378 -41.92 -29.7472 -41.92 0.96267 GPRESSAVG: 3308400 -48.4066 -4.27353 -29.6947 0.561479 77.3818 -41.6587 -29.1327 -42.9416 0.0750637 TIMING: 3308400 CPU: 10337.5, 0.00317271/step Wall: 10337.5, 0.00317271/step, 1.49082 hours remaining, 234.164062 MB of memory in use. ENERGY: 3308400 4013.6383 20406.0621 14401.3274 247.4191 -202979.1624 2249.6261 0.0000 0.0000 52005.1524 -109655.9370 298.8743 -161661.0894 -109300.5728 298.6959 -327.2098 -304.1710 762795.7937 9.6749 9.6834 PRESSURE: 3308600 -128.458 -73.4989 33.799 -73.4984 -342.26 -15.7763 33.7991 -15.7759 407.746 GPRESSURE: 3308600 -55.7689 -112.557 -23.8286 -14.5498 -329.225 -109.033 76.5083 79.1391 409.023 PRESSAVG: 3308600 -3.89624 -49.8254 21.6122 -49.8253 -14.518 -28.3968 21.6122 -28.3968 -0.497296 GPRESSAVG: 3308600 -4.91948 -49.2465 22.0319 -48.719 -14.5222 -26.5025 21.8616 -29.1643 0.129301 TIMING: 3308600 CPU: 10338.1, 0.00311561/step Wall: 10338.1, 0.00311561/step, 1.46382 hours remaining, 234.164062 MB of memory in use. ENERGY: 3308600 3985.4253 20328.1817 14398.1012 245.0877 -203670.1709 2871.1414 0.0000 0.0000 52042.9406 -109799.2930 299.0915 -161842.2336 -109442.6024 298.4414 -20.9904 8.0097 762499.7006 -6.3038 -6.4375 PRESSURE: 3308800 -244.125 -2.35708 304.231 -2.35679 -9.42513 21.6098 304.231 21.6106 -126.057 GPRESSURE: 3308800 -142.051 50.7605 259.655 -37.8069 -71.8426 56.4582 216.31 120.92 -90.9123 PRESSAVG: 3308800 14.975 -15.3742 32.0799 -15.3742 -6.19484 23.2549 32.0799 23.2549 35.593 GPRESSAVG: 3308800 16.5192 -14.611 32.9447 -18.1393 -7.98059 22.6085 32.3064 20.9035 36.3428 TIMING: 3308800 CPU: 10338.7, 0.00310934/step Wall: 10338.7, 0.00310934/step, 1.4607 hours remaining, 234.164062 MB of memory in use. ENERGY: 3308800 4026.2217 20400.7713 14348.0942 224.4786 -203534.7096 2836.0138 0.0000 0.0000 51955.9511 -109743.1790 298.5916 -161699.1301 -109381.7617 298.0148 -126.5357 -101.6018 762659.4148 14.7910 14.9605 PRESSURE: 3309000 -182.334 -63.926 -63.406 -63.9272 76.8402 67.7708 -63.4062 67.7709 -215.49 GPRESSURE: 3309000 -160.313 -37.2432 -78.6223 -9.43098 141.487 55.7898 -22.4181 107.434 -213.372 PRESSAVG: 3309000 -45.6882 -39.7306 25.4299 -39.7306 21.2021 15.9118 25.4299 15.9118 7.68602 GPRESSAVG: 3309000 -47.0535 -40.4409 25.0156 -37.0601 23.0966 14.5518 25.2997 18.354 6.98642 TIMING: 3309000 CPU: 10339.3, 0.00310505/step Wall: 10339.3, 0.00310505/step, 1.45851 hours remaining, 234.164062 MB of memory in use. ENERGY: 3309000 3999.2652 20311.4795 14357.5197 242.8416 -203127.8652 2610.2797 0.0000 0.0000 51899.2710 -109707.2085 298.2658 -161606.4795 -109344.5747 298.6712 -106.9946 -77.3992 762824.0038 -5.6000 -5.6568 PRESSURE: 3309200 -234.744 -69.0198 211.604 -69.0201 307.968 389.08 211.604 389.08 -206.412 GPRESSURE: 3309200 -188.154 -130.395 202.425 -38.0878 311.414 387.523 160.074 485.457 -158.382 PRESSAVG: 3309200 -71.6136 1.37935 22.0048 1.37932 14.5314 1.53752 22.0048 1.53746 -6.83966 GPRESSAVG: 3309200 -70.3444 0.498532 20.9469 -0.0610984 13.2003 2.02439 22.674 1.84578 -7.56488 TIMING: 3309200 CPU: 10340, 0.00311184/step Wall: 10340, 0.00311184/step, 1.46153 hours remaining, 234.164062 MB of memory in use. ENERGY: 3309200 3943.2376 20397.1244 14392.0185 238.3441 -203226.0641 2577.9753 0.0000 0.0000 52022.9625 -109654.4018 298.9767 -161677.3642 -109292.2962 298.0841 -44.3959 -11.7073 761632.7560 -21.3073 -21.5697 PRESSURE: 3309400 137.87 257.651 10.6327 257.65 46.0216 152.922 10.6324 152.922 273.678 GPRESSURE: 3309400 227.029 220.039 11.3525 120.414 -21.5129 174.915 13.4859 74.4884 342.883 PRESSAVG: 3309400 -44.1494 -3.87488 4.81801 -3.87494 50.7062 33.4704 4.81799 33.4704 1.46661 GPRESSAVG: 3309400 -44.694 -3.29046 5.35991 -4.86571 49.2731 33.3742 4.26628 34.1871 3.60077 TIMING: 3309400 CPU: 10340.6, 0.00312277/step Wall: 10340.6, 0.00312277/step, 1.46649 hours remaining, 234.164062 MB of memory in use. ENERGY: 3309400 4022.0531 20597.4103 14424.8472 230.5386 -203191.6993 2615.4030 0.0000 0.0000 51922.4524 -109378.9947 298.3990 -161301.4471 -109018.8883 298.6005 152.5230 182.7995 761964.7938 2.6745 2.7266 PRESSURE: 3309600 -356.395 -49.8498 -7.84586 -49.8496 87.6608 -106.978 -7.84613 -106.979 263.432 GPRESSURE: 3309600 -207.27 -89.7519 -4.83692 106.462 45.7177 -102.538 -40.6455 -33.8487 242.552 PRESSAVG: 3309600 -50.0783 16.8058 -7.90344 16.8057 34.138 -17.1985 -7.90344 -17.1985 4.56707 GPRESSAVG: 3309600 -50.7975 14.9566 -7.51616 18.2166 35.7237 -15.8345 -7.73906 -18.6841 3.51441 TIMING: 3309600 CPU: 10341.2, 0.00312488/step Wall: 10341.2, 0.00312488/step, 1.46731 hours remaining, 234.164062 MB of memory in use. ENERGY: 3309600 4038.6320 20380.6527 14326.5406 256.9208 -203594.4412 2783.8588 0.0000 0.0000 52303.5245 -109504.3118 300.5891 -161807.8363 -109133.3828 298.5920 -1.7676 26.9999 763109.4845 -3.7911 -3.8531 PRESSURE: 3309800 49.1225 84.9829 224.537 84.9827 -279.639 -58.3388 224.536 -58.339 -243.593 GPRESSURE: 3309800 35.2926 15.7329 188 27.6218 -268.917 -2.547 204.513 2.13238 -163.049 PRESSAVG: 3309800 -11.8283 -7.08999 34.1393 -7.08994 33.3252 4.39611 34.1394 4.39622 17.7045 GPRESSAVG: 3309800 -11.1934 -4.33947 34.1762 -6.68861 33.3614 1.32876 33.7046 6.17955 16.953 TIMING: 3309800 CPU: 10341.8, 0.00311311/step Wall: 10341.8, 0.00311311/step, 1.4616 hours remaining, 234.164062 MB of memory in use. ENERGY: 3309800 4060.1518 20490.6024 14397.9859 224.5551 -203134.5561 2515.7262 0.0000 0.0000 52094.3977 -109351.1371 299.3872 -161445.5347 -108987.3273 298.6412 -158.0367 -132.2246 761722.4628 13.0671 13.0403 PRESSURE: 3310000 138.409 28.0082 48.3187 28.0084 116.733 64.6999 48.3178 64.7016 365.694 GPRESSURE: 3310000 196.032 64.1048 -20.1576 -33.6525 145.905 102.383 141.556 -53.718 353.638 PRESSAVG: 3310000 7.03045 17.8219 47.038 17.8219 -41.0979 18.1555 47.038 18.1555 -6.97206 GPRESSAVG: 3310000 6.14002 17.1077 44.2918 16.6188 -39.1852 20.9656 48.8044 15.6999 -7.46832 TIMING: 3310000 CPU: 10342.5, 0.003119/step Wall: 10342.5, 0.003119/step, 1.4642 hours remaining, 234.164062 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: 3310000 3946.5078 20458.4962 14350.7350 237.6257 -203178.0042 2734.5254 0.0000 0.0000 52064.2144 -109385.8996 299.2138 -161450.1141 -109024.8923 299.1304 206.9456 231.8582 763134.8087 -13.6798 -13.5045 PRESSURE: 3310200 283.691 -119.15 -11.2419 -119.15 276.199 -234.313 -11.2437 -234.313 491.002 GPRESSURE: 3310200 396.118 -55.273 -66.1669 -85.7643 226.503 -133.427 18.6539 -210.109 499.958 PRESSAVG: 3310200 -22.6932 -13.883 56.9418 -13.883 30.6535 31.4112 56.9418 31.4113 -3.0459 GPRESSAVG: 3310200 -22.9091 -13.0579 59.1964 -13.083 29.0073 31.1083 56.4824 30.394 -1.35046 TIMING: 3310200 CPU: 10343.1, 0.00311074/step Wall: 10343.1, 0.00311074/step, 1.46015 hours remaining, 234.164062 MB of memory in use. ENERGY: 3310200 3965.4384 20415.4718 14454.6718 233.7878 -203517.9285 2839.1847 0.0000 0.0000 52178.2795 -109431.0945 299.8693 -161609.3740 -109061.5124 299.2967 350.2975 374.1929 760222.8096 1.6381 1.5826 PRESSURE: 3310400 -93.8824 140.77 31.1202 140.77 259.611 77.5481 31.1208 77.5485 120.072 GPRESSURE: 3310400 -21.8538 -18.7985 -7.42072 25.3903 316.529 108.781 147.678 -55.1621 80.4746 PRESSAVG: 3310400 -18.3517 -19.9171 -41.5769 -19.9171 6.09774 -23.6431 -41.5769 -23.6432 4.25687 GPRESSAVG: 3310400 -16.9737 -20.9203 -40.6504 -20.3362 6.41454 -24.3065 -44.4074 -23.6608 2.65994 TIMING: 3310400 CPU: 10343.7, 0.00311996/step Wall: 10343.7, 0.00311996/step, 1.4643 hours remaining, 234.164062 MB of memory in use. ENERGY: 3310400 3949.3801 20615.1711 14392.3396 243.5764 -202928.1920 2578.1075 0.0000 0.0000 52180.3513 -108969.2660 299.8812 -161149.6173 -108608.1028 299.3099 95.2667 125.0499 761275.8306 -2.6657 -2.6331 PRESSURE: 3310600 -241.973 163.958 -74.051 163.959 -318.441 -228.405 -74.0512 -228.405 -118.619 GPRESSURE: 3310600 -228.73 106.813 -80.5477 97.5849 -254.972 -219.889 -79.7321 -90.9478 -117.071 PRESSAVG: 3310600 15.4451 -11.9197 18.3032 -11.9196 16.8293 -43.0309 18.3033 -43.0309 14.4033 GPRESSAVG: 3310600 15.4067 -11.5561 18.0375 -14.0759 15.8924 -42.8873 19.36 -39.9133 15.0261 TIMING: 3310600 CPU: 10344.3, 0.00310445/step Wall: 10344.3, 0.00310445/step, 1.45685 hours remaining, 234.164062 MB of memory in use. ENERGY: 3310600 3990.6584 20661.7218 14398.8588 240.9111 -202885.0740 2616.9145 0.0000 0.0000 51993.0311 -108982.9782 298.8047 -160976.0093 -108633.0134 299.4250 -226.3445 -200.2574 763312.6980 15.5593 15.4417 PRESSURE: 3310800 133.464 44.9658 -0.434328 44.9656 -16.5423 -82.9842 -0.434209 -82.9853 -90.7763 GPRESSURE: 3310800 118.374 17.2435 -54.1713 22.7017 8.83661 -53.7468 7.44382 -126.732 -39.6875 PRESSAVG: 3310800 -32.9963 -43.9124 -52.3706 -43.9125 36.028 -2.81734 -52.3706 -2.81733 -20.4235 GPRESSAVG: 3310800 -32.7828 -43.5887 -53.5938 -44.5016 36.3495 -3.42706 -49.9655 -4.08977 -21.1066 TIMING: 3310800 CPU: 10345, 0.00312042/step Wall: 10345, 0.00312042/step, 1.46417 hours remaining, 234.164062 MB of memory in use. ENERGY: 3310800 3918.3685 20552.8840 14468.9685 254.9764 -203061.2085 2684.6781 0.0000 0.0000 52084.0196 -109097.3135 299.3276 -161181.3330 -108735.3370 299.5765 8.7152 29.1745 763214.9005 -5.7973 -5.8466 PRESSURE: 3311000 -428.576 8.62506 -29.7831 8.62439 -276.637 -32.546 -29.7827 -32.5455 -31.8003 GPRESSURE: 3311000 -427.529 -71.1616 -53.9674 -138.717 -199.871 79.9319 -42.0722 18.0096 -25.1196 PRESSAVG: 3311000 -52.3148 -36.5816 28.6268 -36.5816 41.1276 7.18688 28.6268 7.18682 1.93943 GPRESSAVG: 3311000 -53.643 -35.7553 28.8769 -35.9165 41.5024 9.03994 27.7744 7.81881 3.1816 TIMING: 3311000 CPU: 10345.6, 0.00311026/step Wall: 10345.6, 0.00311026/step, 1.45923 hours remaining, 234.164062 MB of memory in use. ENERGY: 3311000 3974.5911 20533.9253 14398.8773 233.2067 -202845.9490 2451.8421 0.0000 0.0000 52034.6464 -109218.8602 299.0438 -161253.5066 -108861.6336 299.1549 -245.6712 -217.5066 764554.1061 -3.0826 -2.9863 PRESSURE: 3311200 -48.234 -30.5111 -180.65 -30.512 -39.112 24.0039 -180.649 24.0042 377.067 GPRESSURE: 3311200 10.0651 -34.5879 -189.912 -39.7833 43.4582 53.0914 -210.5 62.5744 320.986 PRESSAVG: 3311200 -17.9813 -16.5474 -54.0943 -16.5474 34.6393 18.7834 -54.0943 18.7834 -12.2772 GPRESSAVG: 3311200 -17.0208 -18.9268 -53.0519 -15.6669 35.8831 17.4871 -54.2419 19.9904 -13.7327 TIMING: 3311200 CPU: 10346.2, 0.00309446/step Wall: 10346.2, 0.00309446/step, 1.45165 hours remaining, 234.164062 MB of memory in use. ENERGY: 3311200 3889.6063 20384.1715 14394.4366 254.4569 -203090.8302 2731.7847 0.0000 0.0000 52161.9623 -109274.4119 299.7755 -161436.3742 -108912.1070 299.2491 96.5738 124.8365 762326.0439 1.4603 1.7099 PRESSURE: 3311400 31.4352 -255.896 -203.103 -255.896 -171.395 6.9617 -203.103 6.9618 97.4948 GPRESSURE: 3311400 51.9978 -171.744 -208.043 -260.144 -143.199 26.6766 -222.728 -83.5821 121.099 PRESSAVG: 3311400 8.06251 47.1256 -39.9137 47.1256 1.29053 -6.19859 -39.9138 -6.19856 2.00956 GPRESSAVG: 3311400 8.48933 48.5888 -41.0527 46.3949 -0.333562 -6.31277 -41.3089 -8.50335 3.47143 TIMING: 3311400 CPU: 10346.8, 0.00309447/step Wall: 10346.8, 0.00309447/step, 1.45148 hours remaining, 234.164062 MB of memory in use. ENERGY: 3311400 3877.1274 20480.2112 14463.8353 243.0028 -202557.8691 2335.0482 0.0000 0.0000 52024.4508 -109134.1933 298.9852 -161158.6441 -108769.6346 299.2189 -14.1551 9.9659 762574.5815 3.7875 3.8757 PRESSURE: 3311600 243.683 101.37 -45.535 101.371 14.2839 37.4823 -45.5341 37.4832 61.2355 GPRESSURE: 3311600 261.201 4.66655 -20.4928 -22.2362 63.8439 27.1896 -31.5358 -24.5309 76.0397 PRESSAVG: 3311600 -78.2849 -6.38953 21.2158 -6.38953 47.9708 -33.0139 21.2159 -33.0139 7.46489 GPRESSAVG: 3311600 -78.6058 -7.32893 21.3985 -5.11306 49.8259 -31.3317 23.0002 -33.5998 6.63883 TIMING: 3311600 CPU: 10347.4, 0.0030963/step Wall: 10347.4, 0.0030963/step, 1.45217 hours remaining, 234.164062 MB of memory in use. ENERGY: 3311600 3979.4321 20405.7704 14401.4893 265.3752 -203212.6115 2871.4969 0.0000 0.0000 52101.7433 -109187.3044 299.4294 -161289.0476 -108818.3014 299.1383 106.4007 133.6948 762389.3435 -7.6164 -7.3803 PRESSURE: 3311800 -61.8793 161.653 160.367 161.653 -15.5938 104.553 160.368 104.552 154.312 GPRESSURE: 3311800 93.6923 166.09 197.683 109.21 -1.66884 15.9694 142.171 67.1255 74.9956 PRESSAVG: 3311800 17.3337 17.9528 11.6255 17.9528 16.6579 -43.9924 11.6255 -43.9924 5.8148 GPRESSAVG: 3311800 16.5094 18.5922 11.7964 19.4787 17.5954 -45.0469 12.7398 -42.5808 5.9739 TIMING: 3311800 CPU: 10348.1, 0.00310094/step Wall: 10348.1, 0.00310094/step, 1.45417 hours remaining, 234.164062 MB of memory in use. ENERGY: 3311800 3978.8395 20374.1338 14410.4605 239.1358 -202762.8707 2415.3209 0.0000 0.0000 51976.2897 -109368.6905 298.7085 -161344.9803 -109013.2646 299.0532 25.6130 55.6730 762225.7286 13.2688 13.3596 PRESSURE: 3312000 148.586 -47.3821 63.5971 -47.3809 209.59 -154.026 63.5978 -154.025 299.201 GPRESSURE: 3312000 115.335 -191.082 33.5358 -21.153 280.026 -145.377 162.819 23.3053 348.053 PRESSAVG: 3312000 -12.5106 22.8973 10.902 22.8973 0.706107 16.4265 10.902 16.4265 -7.76747 GPRESSAVG: 3312000 -12.1053 22.6045 12.1724 22.8384 -1.09828 17.0754 9.0388 15.0177 -7.01916 TIMING: 3312000 CPU: 10348.7, 0.00309804/step Wall: 10348.7, 0.00309804/step, 1.45264 hours remaining, 234.164062 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: 3312000 3925.9737 20259.3567 14501.3139 245.9467 -203206.7168 2700.1522 0.0000 0.0000 52002.6632 -109571.3103 298.8600 -161573.9736 -109215.7252 298.5748 219.1260 247.8049 762505.3005 -6.5240 -6.7409 PRESSURE: 3312200 -196.187 119.817 141.294 119.816 110.507 -97.3657 141.294 -97.3662 427.414 GPRESSURE: 3312200 -219.382 74.51 66.5445 153.267 63.1466 -45.8016 88.2572 -151.432 560.36 PRESSAVG: 3312200 -1.52443 37.6279 16.104 37.6279 31.1408 12.5247 16.104 12.5247 16.7509 GPRESSAVG: 3312200 0.181834 37.5609 15.1492 36.1876 31.1355 11.9868 15.9181 14.468 15.1071 TIMING: 3312200 CPU: 10349.3, 0.0030976/step Wall: 10349.3, 0.0030976/step, 1.45226 hours remaining, 234.164062 MB of memory in use. ENERGY: 3312200 3910.5900 20540.0929 14368.4651 233.1938 -202940.2832 2786.1227 0.0000 0.0000 51719.8611 -109381.9576 297.2348 -161101.8188 -109028.5886 298.2551 113.9116 134.7082 762152.5825 15.4558 15.4748 LDB: ============= START OF LOAD BALANCING ============== 10361.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10361.8 LDB: =============== DONE WITH MIGRATION ================ 10361.8 LDB: ============= START OF LOAD BALANCING ============== 10362.1 LDB: Largest compute 7034 load 0.027639 is 14.2% of average load 0.195215 LDB: Average compute 0.004374 is 2.2% of average load 0.195215 LDB: TIME 10362.1 LOAD: AVG 0.195215 MAX 0.213976 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.703 MB LDB: TIME 10362.1 LOAD: AVG 0.195215 MAX 0.213976 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.703 MB LDB: TIME 10362.1 LOAD: AVG 0.195215 MAX 0.213976 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.703 MB LDB: ============== END OF LOAD BALANCING =============== 10362.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10362.1 PRESSURE: 3312400 -131.718 142.484 62.5981 142.485 -88.5146 102.133 62.5986 102.133 -171.458 GPRESSURE: 3312400 -100.425 55.0625 109.284 143.59 -121.647 127.522 100.608 91.522 -79.6517 PRESSAVG: 3312400 -37.5706 73.577 -29.7659 73.577 54.7186 13.334 -29.7659 13.334 -11.6143 GPRESSAVG: 3312400 -38.4351 73.8909 -30.9827 73.5841 53.3468 13.1416 -29.018 10.7185 -8.83186 TIMING: 3312400 CPU: 10349.9, 0.00316722/step Wall: 10349.9, 0.00316722/step, 1.48472 hours remaining, 233.906250 MB of memory in use. ENERGY: 3312400 3957.2987 20641.0078 14360.1706 272.3603 -203256.8626 2915.0546 0.0000 0.0000 51858.9859 -109251.9846 298.0343 -161110.9706 -108900.0582 298.3521 -130.5636 -100.5743 761959.7509 1.8445 2.0266 PRESSURE: 3312600 254.313 -172.176 -71.6868 -172.176 -184.697 -32.2288 -71.6864 -32.2282 -287.683 GPRESSURE: 3312600 143.196 -256.847 -142.38 -203.618 -118.458 -62.8553 -103.511 -1.99913 -151.468 PRESSAVG: 3312600 -72.4968 -31.1733 -32.7876 -31.1733 29.4223 -6.77312 -32.7876 -6.77315 -3.94542 GPRESSAVG: 3312600 -72.7805 -30.2764 -31.5327 -32.1129 31.3239 -7.92644 -33.9085 -3.41228 -5.15934 TIMING: 3312600 CPU: 10350.5, 0.00307044/step Wall: 10350.5, 0.00307044/step, 1.43918 hours remaining, 234.105469 MB of memory in use. ENERGY: 3312600 4013.1251 20424.8235 14388.7396 246.6199 -202903.4357 2518.0556 0.0000 0.0000 51849.8889 -109462.1832 297.9820 -161312.0721 -109098.6788 298.6260 -72.6890 -42.2432 763734.0409 -15.6733 -15.5387 PRESSURE: 3312800 -232.993 -64.5847 -20.2469 -64.5847 -225.783 -53.346 -20.2474 -53.3464 180.358 GPRESSURE: 3312800 -246.612 -10.454 -76.9115 -10.8807 -150.716 -52.0273 86.3241 -123.906 169.2 PRESSAVG: 3312800 -3.66781 -1.2832 -11.9054 -1.28313 -2.2963 -37.463 -11.9054 -37.4631 -8.56898 GPRESSAVG: 3312800 -3.06773 0.479364 -12.516 -1.77982 -2.49946 -35.6672 -11.9922 -39.0985 -9.67401 TIMING: 3312800 CPU: 10351.2, 0.00307832/step Wall: 10351.2, 0.00307832/step, 1.4427 hours remaining, 234.105469 MB of memory in use. ENERGY: 3312800 3960.9207 20516.1319 14391.3998 244.7820 -203218.0088 2800.3846 0.0000 0.0000 51907.6585 -109396.7313 298.3140 -161304.3898 -109029.0968 298.3867 -92.8064 -76.0427 764131.1881 -4.8444 -5.0804 PRESSURE: 3313000 286.911 128.694 60.4407 128.694 -206.404 -68.7709 60.4409 -68.772 247.522 GPRESSURE: 3313000 288.315 88.5367 45.7382 71.3733 -53.6229 -120.753 46.449 -36.0064 174.465 PRESSAVG: 3313000 3.64286 -8.7007 31.5544 -8.70062 -17.9049 -54.8467 31.5545 -54.8468 -19.4489 GPRESSAVG: 3313000 2.43913 -11.1012 31.1363 -7.30049 -16.7992 -55.6917 31.8164 -55.2826 -18.9701 TIMING: 3313000 CPU: 10351.8, 0.003084/step Wall: 10351.8, 0.003084/step, 1.44519 hours remaining, 234.105469 MB of memory in use. ENERGY: 3313000 3958.3969 20345.9829 14367.7923 265.4274 -203384.7949 2879.1039 0.0000 0.0000 52086.8631 -109481.2283 299.3439 -161568.0915 -109120.5643 298.5358 109.3433 136.3858 763847.7311 -11.2370 -11.1101 PRESSURE: 3313200 167.141 143.707 -16.1148 143.707 -22.5536 -12.2742 -16.1148 -12.2734 285.94 GPRESSURE: 3313200 167.111 93.7178 -62.3745 202.48 -35.4868 -53.182 139.172 -84.217 363.245 PRESSAVG: 3313200 48.3488 33.6556 -1.98556 33.6557 -20.1667 -9.36823 -1.98555 -9.3683 -11.7643 GPRESSAVG: 3313200 48.8121 34.3734 -1.86271 31.5205 -19.6386 -7.83155 -0.0582959 -9.40897 -12.3601 TIMING: 3313200 CPU: 10352.4, 0.00309287/step Wall: 10352.4, 0.00309287/step, 1.44918 hours remaining, 234.105469 MB of memory in use. ENERGY: 3313200 3985.0989 20592.9058 14417.6233 257.9717 -203588.2772 2934.6046 0.0000 0.0000 52055.2356 -109344.8372 299.1622 -161400.0728 -108986.5508 298.8239 143.5092 164.9563 762050.1955 5.4726 5.6045 PRESSURE: 3313400 219.816 -14.7591 -55.3928 -14.7588 -161.78 -32.112 -55.3923 -32.1119 326.298 GPRESSURE: 3313400 190.535 -124.351 -168.31 -163.152 -144.975 -87.0583 13.8107 -69.4835 421.951 PRESSAVG: 3313400 32.9845 -2.8105 1.74236 -2.81054 -12.6492 -32.4009 1.74241 -32.4009 32.2634 GPRESSAVG: 3313400 31.5242 -4.5158 1.33029 -1.01959 -13.7452 -34.3995 1.6945 -32.9228 34.4249 TIMING: 3313400 CPU: 10353, 0.00309457/step Wall: 10353, 0.00309457/step, 1.44981 hours remaining, 234.105469 MB of memory in use. ENERGY: 3313400 4110.3593 20442.7970 14392.9416 231.4078 -203139.0346 2653.0152 0.0000 0.0000 51928.2911 -109380.2225 298.4326 -161308.5136 -109029.1463 298.8034 128.1114 155.8370 763424.3921 17.5329 17.4013 PRESSURE: 3313600 68.8223 -144.77 -113.664 -144.77 223.234 171.733 -113.664 171.733 403.694 GPRESSURE: 3313600 187.945 -279.425 -143.843 0.136709 218.445 222.777 -141.663 181.783 362.27 PRESSAVG: 3313600 69.309 -7.19066 13.777 -7.19073 -46.7834 -54.2817 13.777 -54.2817 -27.4739 GPRESSAVG: 3313600 71.8056 -6.08903 12.6922 -6.68481 -47.4997 -53.2814 13.8611 -53.6688 -28.9875 TIMING: 3313600 CPU: 10353.6, 0.00309313/step Wall: 10353.6, 0.00309313/step, 1.44896 hours remaining, 234.105469 MB of memory in use. ENERGY: 3313600 3943.4293 20609.2397 14437.2617 248.5072 -203429.2016 2832.8661 0.0000 0.0000 52079.8875 -109278.0102 299.3038 -161357.8976 -108920.5081 298.7229 231.9169 256.2199 763301.0116 -1.6494 -1.5605 PRESSURE: 3313800 406.299 -6.66905 86.3791 -6.66907 -85.0892 56.9576 86.3789 56.9561 -54.4695 GPRESSURE: 3313800 266.646 87.1136 70.2726 29.1879 43.7209 107.316 -43.321 -27.8376 31.6203 PRESSAVG: 3313800 2.51312 9.44526 25.2193 9.44525 -14.5498 -37.7927 25.2194 -37.7927 -6.0997 GPRESSAVG: 3313800 2.54807 9.70749 27.4134 10.6464 -13.6481 -37.6644 24.7125 -39.4923 -7.05698 TIMING: 3313800 CPU: 10354.3, 0.00309893/step Wall: 10354.3, 0.00309893/step, 1.4515 hours remaining, 234.105469 MB of memory in use. ENERGY: 3313800 3892.2148 20659.1649 14379.2238 234.9362 -203448.1716 2821.5400 0.0000 0.0000 52134.5303 -109326.5616 299.6179 -161461.0919 -108962.4473 299.0202 88.9134 113.9957 762112.0576 -6.0455 -6.0523 PRESSURE: 3314000 179.455 98.3356 124.4 98.3347 391.601 -129.255 124.4 -129.254 126.348 GPRESSURE: 3314000 179.303 60.709 63.3607 60.7419 397.15 -144.68 48.4736 8.73466 205.484 PRESSAVG: 3314000 29.5236 -12.7335 -22.7122 -12.7334 36.3894 -21.6698 -22.7122 -21.6698 23.3062 GPRESSAVG: 3314000 29.4691 -11.5922 -22.425 -13.5449 35.3444 -21.5461 -23.6568 -18.9939 24.656 TIMING: 3314000 CPU: 10354.9, 0.0030943/step Wall: 10354.9, 0.0030943/step, 1.44916 hours remaining, 234.105469 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: 3314000 4036.4026 20523.7133 14382.4905 251.2354 -203552.5894 3021.1042 0.0000 0.0000 51879.2347 -109458.4086 298.1507 -161337.6434 -109101.9592 299.1436 232.4677 260.6460 762927.0267 29.7397 29.8232 PRESSURE: 3314200 -373.868 231.613 -32.0877 231.613 -178.791 200.178 -32.0876 200.178 -153.015 GPRESSURE: 3314200 -181.912 198.482 -83.6082 298.443 -291.549 212.493 -186.466 143.594 -148.642 PRESSAVG: 3314200 -56.0682 73.0043 34.5062 73.0043 22.4884 -9.61421 34.5062 -9.61424 -3.91618 GPRESSAVG: 3314200 -55.7078 70.5348 33.7545 72.9687 23.322 -10.7651 34.8839 -8.19787 -4.76807 TIMING: 3314200 CPU: 10355.5, 0.00309368/step Wall: 10355.5, 0.00309368/step, 1.4487 hours remaining, 234.105469 MB of memory in use. ENERGY: 3314200 3969.3915 20662.8751 14326.0532 249.8257 -203464.4757 2639.9094 0.0000 0.0000 51917.4355 -109698.9854 298.3702 -161616.4208 -109332.4212 298.6912 -235.2246 -207.3676 764587.9190 -12.4987 -12.3846 PRESSURE: 3314400 152.686 -126.546 -131.241 -126.546 6.85789 93.5885 -131.239 93.59 -114.757 GPRESSURE: 3314400 103.393 -39.9401 -211.605 -97.3535 55.0367 38.33 -106.826 15.0501 -33.1969 PRESSAVG: 3314400 -6.42655 7.08731 10.7394 7.0874 -57.0039 -38.2938 10.7394 -38.2939 19.0615 GPRESSAVG: 3314400 -7.3279 8.26547 11.5235 8.26549 -55.886 -37.4406 11.66 -42.8901 18.8652 TIMING: 3314400 CPU: 10356.1, 0.00308502/step Wall: 10356.1, 0.00308502/step, 1.44447 hours remaining, 234.105469 MB of memory in use. ENERGY: 3314400 4046.8815 20479.1211 14362.4317 261.2530 -203401.2474 2743.8403 0.0000 0.0000 51992.4335 -109515.2863 298.8012 -161507.7198 -109163.7777 298.9002 14.9290 41.7444 763517.9490 -14.7897 -14.7829 PRESSURE: 3314600 -66.9315 19.781 -80.266 19.7809 136.311 -38.0362 -80.265 -38.0362 105.701 GPRESSURE: 3314600 13.5334 53.8674 -45.3407 -10.378 136.636 -74.9656 -37.5434 74.3088 120.252 PRESSAVG: 3314600 34.0313 10.9524 -5.90213 10.9525 -45.2879 -32.3878 -5.90218 -32.3878 12.2919 GPRESSAVG: 3314600 34.4427 9.96976 -7.00447 8.83513 -45.4193 -31.52 -6.17364 -30.2874 11.9387 TIMING: 3314600 CPU: 10356.7, 0.00308878/step Wall: 10356.7, 0.00308878/step, 1.44606 hours remaining, 234.105469 MB of memory in use. ENERGY: 3314600 3991.9261 20604.1343 14374.3052 279.6914 -203410.6254 2716.8870 0.0000 0.0000 52067.9390 -109375.7425 299.2352 -161443.6814 -109009.4796 299.0560 58.3603 90.1405 761660.7058 0.3451 0.3207 PRESSURE: 3314800 155.333 180.111 -60.307 180.112 228.704 68.4358 -60.3071 68.4346 346.03 GPRESSURE: 3314800 204.07 195.985 21.8911 257.195 219.415 55.5115 -0.030937 12.2856 373.116 PRESSAVG: 3314800 28.5506 31.1572 10.4103 31.1573 -41.7783 -19.2562 10.4102 -19.2562 19.2563 GPRESSAVG: 3314800 29.1102 30.0186 10.5802 32.6909 -43.4944 -20.3737 12.1599 -17.6511 20.5276 TIMING: 3314800 CPU: 10357.3, 0.00309249/step Wall: 10357.3, 0.00309249/step, 1.44763 hours remaining, 234.105469 MB of memory in use. ENERGY: 3314800 3956.1760 20474.5522 14378.8442 233.6818 -203128.0557 2692.2305 0.0000 0.0000 52130.0686 -109262.5025 299.5922 -161392.5710 -108902.2546 299.4896 243.3557 265.5335 763392.4635 2.0095 2.0478 PRESSURE: 3315000 -131.198 6.38071 -187.883 6.38131 -90.5784 -58.9951 -187.883 -58.9942 -289.38 GPRESSURE: 3315000 -70.6362 -61.5983 -146.814 -8.41818 -38.1428 -51.7255 -129.394 -86.6982 -302.689 PRESSAVG: 3315000 -8.23001 50.3255 0.613039 50.3256 -10.0004 17.9298 0.613022 17.9298 -4.17217 GPRESSAVG: 3315000 -8.49925 52.1408 0.934643 50.9666 -9.33155 17.6281 -0.767901 15.4806 -4.45422 TIMING: 3315000 CPU: 10358, 0.00309001/step Wall: 10358, 0.00309001/step, 1.4463 hours remaining, 234.105469 MB of memory in use. ENERGY: 3315000 4012.6323 20436.3821 14387.4559 234.0304 -203147.7834 2550.6712 0.0000 0.0000 51987.6462 -109538.9653 298.7737 -161526.6115 -109177.5302 298.7707 -170.3854 -137.1560 764047.9018 -7.4675 -7.4283 PRESSURE: 3315200 231.973 142.346 30.8525 142.346 -262.987 45.3552 30.8525 45.3553 -198.341 GPRESSURE: 3315200 233.022 66.7989 -11.8436 206.012 -269.956 45.4918 165.46 66.8073 -113.813 PRESSAVG: 3315200 33.3566 72.7268 9.43574 72.7269 3.59366 -101.783 9.43575 -101.783 2.25213 GPRESSAVG: 3315200 32.4467 71.4109 9.03505 70.001 4.78451 -101.952 9.91118 -101.773 1.92304 TIMING: 3315200 CPU: 10358.6, 0.00308264/step Wall: 10358.6, 0.00308264/step, 1.44268 hours remaining, 234.105469 MB of memory in use. ENERGY: 3315200 4016.9081 20511.3646 14468.9391 253.7650 -203775.0734 3084.0608 0.0000 0.0000 51660.5568 -109779.4790 296.8939 -161440.0358 -109428.4799 298.5517 -76.4516 -50.2487 763751.9458 13.0675 13.0514 PRESSURE: 3315400 -208.568 255.58 -88.7658 255.58 42.5782 -215.325 -88.7664 -215.326 112.645 GPRESSURE: 3315400 -183.326 180.622 -63.7497 210.381 98.1589 -213.7 34.4095 -240.083 93.459 PRESSAVG: 3315400 7.63355 49.6318 -7.65893 49.6317 -35.6649 -12.745 -7.65893 -12.745 18.1782 GPRESSAVG: 3315400 8.75264 50.917 -6.86316 51.4538 -36.613 -12.9268 -9.10489 -12.366 18.3991 TIMING: 3315400 CPU: 10359.2, 0.00309281/step Wall: 10359.2, 0.00309281/step, 1.44726 hours remaining, 234.105469 MB of memory in use. ENERGY: 3315400 4005.5526 20340.0291 14426.0841 246.8631 -203522.9166 2792.0775 0.0000 0.0000 51878.8170 -109833.4933 298.1483 -161712.3103 -109462.3499 298.4516 -17.7818 2.7641 764865.1404 -3.2844 -3.1538 PRESSURE: 3315600 -295.753 140.038 -158.083 140.037 -81.1466 66.9115 -158.083 66.911 21.44 GPRESSURE: 3315600 -297.303 36.3118 -177.728 83.6151 -77.3517 -29.0481 -158.633 31.1434 116.372 PRESSAVG: 3315600 -10.6011 55.7807 -35.5158 55.7807 22.8272 -84.7957 -35.5158 -84.7957 -3.25058 GPRESSAVG: 3315600 -11.4815 54.7425 -36.7353 54.1247 23.9587 -83.7258 -34.4035 -85.7817 -3.57997 TIMING: 3315600 CPU: 10359.8, 0.00309823/step Wall: 10359.8, 0.00309823/step, 1.44963 hours remaining, 234.105469 MB of memory in use. ENERGY: 3315600 3971.6340 20482.6605 14411.0716 265.3559 -203385.7702 2808.9925 0.0000 0.0000 51960.3340 -109485.7216 298.6168 -161446.0556 -109126.7675 298.5669 -118.4866 -86.0943 762583.3460 2.9918 2.9658 PRESSURE: 3315800 161.302 183.252 228.216 183.252 -293.613 -94.5183 228.216 -94.5183 -282.442 GPRESSURE: 3315800 111.397 17.9471 132.053 155.26 -145.578 -149.452 150.041 -78.9154 -300.976 PRESSAVG: 3315800 -25.7732 28.4959 -11.1395 28.4958 42.5702 -6.11327 -11.1395 -6.11329 -16.4853 GPRESSAVG: 3315800 -25.8952 26.9613 -10.1618 28.2275 41.7977 -6.74544 -12.7229 -5.36992 -15.6455 TIMING: 3315800 CPU: 10360.4, 0.00309866/step Wall: 10360.4, 0.00309866/step, 1.44966 hours remaining, 234.105469 MB of memory in use. ENERGY: 3315800 3998.7160 20457.7939 14389.8630 250.2780 -203070.0520 2737.0927 0.0000 0.0000 51895.9163 -109340.3922 298.2465 -161236.3085 -108981.6489 298.6518 -138.2511 -111.7188 764582.2836 0.1039 0.0857 PRESSURE: 3316000 378.121 -175.001 58.8676 -175.002 319.649 -138.237 58.8681 -138.236 -6.19842 GPRESSURE: 3316000 454.086 -65.6209 133.256 -158.279 265.739 -177.961 30.2967 -174.512 49.5969 PRESSAVG: 3316000 -17.4655 -21.4735 -2.24737 -21.4735 7.60549 -43.5802 -2.24735 -43.5802 4.79634 GPRESSAVG: 3316000 -16.3409 -18.3211 -3.44474 -21.7693 7.25302 -42.7708 -0.346886 -44.135 3.90462 TIMING: 3316000 CPU: 10361.1, 0.00311304/step Wall: 10361.1, 0.00311304/step, 1.45621 hours remaining, 234.105469 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: 3316000 3991.7241 20615.0427 14426.0604 245.6170 -203834.4272 2951.7872 0.0000 0.0000 52115.7111 -109488.4847 299.5097 -161604.1958 -109121.1314 299.2620 230.5238 256.4737 762014.2583 -1.6879 -1.7277 PRESSURE: 3316200 -90.4677 -158.728 -203.52 -158.729 -40.653 14.8005 -203.519 14.8006 50.9889 GPRESSURE: 3316200 -41.8193 -81.0091 -189.38 -95.4974 26.9587 12.869 -111.08 -14.481 -2.539 PRESSAVG: 3316200 47.1517 -9.26897 14.7197 -9.26895 -48.7348 -25.7561 14.7198 -25.7561 4.86427 GPRESSAVG: 3316200 47.83 -10.8433 15.5271 -7.5209 -48.5414 -25.5621 13.8197 -23.9933 3.91294 TIMING: 3316200 CPU: 10361.7, 0.00310815/step Wall: 10361.7, 0.00310815/step, 1.45375 hours remaining, 234.105469 MB of memory in use. ENERGY: 3316200 3968.1196 20488.7398 14458.0409 235.7743 -203319.7493 2626.7436 0.0000 0.0000 51923.1723 -109619.1589 298.4032 -161542.3312 -109252.9172 298.6456 -26.7106 -5.7999 764453.7959 1.0937 1.0672 LDB: ============= START OF LOAD BALANCING ============== 10374.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10374.2 LDB: =============== DONE WITH MIGRATION ================ 10374.2 LDB: ============= START OF LOAD BALANCING ============== 10374.5 LDB: Largest compute 7007 load 0.028263 is 14.5% of average load 0.195257 LDB: Average compute 0.004358 is 2.2% of average load 0.195257 LDB: TIME 10374.5 LOAD: AVG 0.195257 MAX 0.219765 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.258 MB LDB: TIME 10374.5 LOAD: AVG 0.195257 MAX 0.219765 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.258 MB LDB: TIME 10374.5 LOAD: AVG 0.195257 MAX 0.21519 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.258 MB LDB: ============== END OF LOAD BALANCING =============== 10374.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10374.5 PRESSURE: 3316400 315.425 -49.2758 -134.616 -49.2761 280.344 -22.2942 -134.616 -22.2936 162.757 GPRESSURE: 3316400 392.38 74.3284 -210.973 -15.5069 293.253 -23.8465 -68.1686 -25.7864 151.531 PRESSAVG: 3316400 13.6901 23.4217 -7.31941 23.4218 1.61034 -29.2006 -7.31941 -29.2006 19.0636 GPRESSAVG: 3316400 12.8621 25.1171 -8.3626 21.6171 1.69592 -30.4916 -6.3601 -30.2069 19.4383 TIMING: 3316400 CPU: 10362.3, 0.00317379/step Wall: 10362.3, 0.00317379/step, 1.48427 hours remaining, 235.667969 MB of memory in use. ENERGY: 3316400 3948.5647 20529.4053 14496.6317 248.5180 -203379.9897 2840.4838 0.0000 0.0000 51884.3169 -109432.0693 298.1799 -161316.3862 -109077.8765 298.6909 252.8420 279.0548 763178.3957 11.4547 11.3321 PRESSURE: 3316600 -353.409 -77.4076 136.019 -77.4071 -58.7273 87.5564 136.02 87.557 209.439 GPRESSURE: 3316600 -352.577 -98.3082 179.786 -187.632 31.3766 39.0792 155.41 176.055 199.678 PRESSAVG: 3316600 -30.4303 27.0046 -21.8763 27.0045 48.6752 -19.108 -21.8764 -19.108 1.9511 GPRESSAVG: 3316600 -30.7905 24.8296 -22.3569 28.7261 47.9735 -19.5566 -20.2325 -17.8912 2.66905 TIMING: 3316600 CPU: 10362.9, 0.00309381/step Wall: 10362.9, 0.00309381/step, 1.4467 hours remaining, 236.128906 MB of memory in use. ENERGY: 3316600 3977.0234 20699.6379 14363.4713 238.3257 -203276.4948 2544.7647 0.0000 0.0000 51833.5641 -109619.7077 297.8882 -161453.2718 -109263.2803 298.9531 -67.5656 -40.5075 763758.2422 6.7320 6.6173 PRESSURE: 3316800 -9.85229 -15.9847 110.654 -15.9843 256.488 -155.867 110.655 -155.868 397.303 GPRESSURE: 3316800 151.511 -93.202 127.687 -37.406 188.762 -141.371 18.4769 -141.329 381.249 PRESSAVG: 3316800 -5.3775 45.7179 0.202526 45.7178 -1.80447 -0.378558 0.202529 -0.37852 7.26139 GPRESSAVG: 3316800 -6.32835 45.9402 1.35343 46.3375 -1.64798 1.74206 -2.7649 -1.75116 7.99925 TIMING: 3316800 CPU: 10363.6, 0.00310072/step Wall: 10363.6, 0.00310072/step, 1.44976 hours remaining, 236.128906 MB of memory in use. ENERGY: 3316800 4036.1141 20498.6695 14379.7852 244.0316 -203970.3989 3145.2994 0.0000 0.0000 52096.4555 -109570.0436 299.3990 -161666.4990 -109199.9179 298.3226 214.6461 240.5073 761788.6988 0.0265 0.0076 PRESSURE: 3317000 -9.63353 152.076 -78.0296 152.076 -234.089 93.9444 -78.0292 93.9443 -13.4258 GPRESSURE: 3317000 38.1519 16.0831 -176.97 204.388 -224.432 107.136 65.4153 -21.3314 21.6842 PRESSAVG: 3317000 -1.73513 10.6255 -14.8213 10.6255 20.6809 -1.31546 -14.8213 -1.31544 18.5791 GPRESSAVG: 3317000 0.206023 11.2712 -15.5275 8.41721 21.3435 -1.72847 -14.5006 -1.88547 16.8152 TIMING: 3317000 CPU: 10364.2, 0.00309793/step Wall: 10364.2, 0.00309793/step, 1.44828 hours remaining, 236.128906 MB of memory in use. ENERGY: 3317000 3963.9818 20522.3032 14392.8837 235.3733 -203790.8380 2811.3574 0.0000 0.0000 52064.3756 -109800.5630 299.2147 -161864.9386 -109441.8877 298.5756 -85.7160 -54.8653 761151.2483 12.5083 12.7883 PRESSURE: 3317200 -252.545 -56.4634 -85.3661 -56.4644 88.1588 55.0427 -85.3661 55.0429 -584.572 GPRESSURE: 3317200 -269.281 -52.1114 -132.488 -89.1304 49.9074 67.8071 -63.8755 174.862 -456.277 PRESSAVG: 3317200 19.5844 37.5316 25.049 37.5315 16.3411 -52.2083 25.049 -52.2083 -25.4566 GPRESSAVG: 3317200 18.7297 38.0143 25.6679 39.0334 14.5861 -52.4675 26.926 -52.7077 -23.3772 TIMING: 3317200 CPU: 10364.8, 0.00310435/step Wall: 10364.8, 0.00310435/step, 1.45111 hours remaining, 236.128906 MB of memory in use. ENERGY: 3317200 4051.1556 20567.3711 14393.1370 240.1977 -203457.9574 2469.2274 0.0000 0.0000 51913.8555 -109823.0131 298.3496 -161736.8686 -109466.3139 298.6987 -249.6524 -225.2168 761982.2451 3.4896 3.3129 PRESSURE: 3317400 -204.546 44.0141 -241.283 44.0139 -339.368 354.632 -241.282 354.631 127.376 GPRESSURE: 3317400 -210.403 -31.9813 -315.823 -1.14493 -236.798 343.289 -167.918 346.52 114.729 PRESSAVG: 3317400 -25.8044 -16.4325 22.1328 -16.4325 -16.2991 -4.07144 22.1328 -4.07135 3.10031 GPRESSAVG: 3317400 -25.7557 -18.0869 22.4134 -16.9572 -15.1196 -4.49249 18.0849 -1.75692 2.84336 TIMING: 3317400 CPU: 10365.4, 0.00309583/step Wall: 10365.4, 0.00309583/step, 1.44696 hours remaining, 236.183594 MB of memory in use. ENERGY: 3317400 3996.2409 20581.7649 14390.3457 250.6876 -203486.5262 2709.3403 0.0000 0.0000 51990.1164 -109568.0304 298.7879 -161558.1468 -109207.9616 299.1030 -138.8460 -110.8240 763696.4160 -13.0011 -12.6773 PRESSURE: 3317600 -284.27 -7.76442 64.311 -7.76372 -303.53 191.829 64.3119 191.828 -46.7031 GPRESSURE: 3317600 -177.841 17.8273 132.438 -10.5861 -301.851 211.534 133.842 150.334 -79.6469 PRESSAVG: 3317600 -16.8708 -17.647 6.36584 -17.647 44.6001 24.0727 6.3658 24.0728 4.0444 GPRESSAVG: 3317600 -17.6478 -16.0904 6.2134 -17.8631 45.5196 24.5591 9.61693 21.8103 3.82939 TIMING: 3317600 CPU: 10366, 0.00310801/step Wall: 10366, 0.00310801/step, 1.45248 hours remaining, 236.183594 MB of memory in use. ENERGY: 3317600 3941.2371 20530.4934 14355.8332 239.6404 -203717.3388 2678.1109 0.0000 0.0000 52197.2073 -109774.8165 299.9781 -161972.0237 -109418.5215 298.9001 -211.5008 -186.4461 762486.5863 10.5913 10.5671 PRESSURE: 3317800 -178.909 180.391 85.482 180.391 96.6064 75.5323 85.481 75.5317 -92.8016 GPRESSURE: 3317800 -147.027 217.549 98.916 225.606 47.9767 109.061 62.5215 6.91884 -16.3145 PRESSAVG: 3317800 -24.3508 -16.3327 76.0464 -16.3327 5.54388 -56.4278 76.0464 -56.4277 -25.1145 GPRESSAVG: 3317800 -23.6562 -16.841 78.0626 -17.1839 3.42664 -56.9143 75.8738 -55.9344 -23.5471 TIMING: 3317800 CPU: 10366.7, 0.00310108/step Wall: 10366.7, 0.00310108/step, 1.44907 hours remaining, 236.183594 MB of memory in use. ENERGY: 3317800 3941.9868 20543.6974 14394.5196 253.1473 -203869.4489 2812.0996 0.0000 0.0000 52094.0802 -109829.9179 299.3854 -161923.9981 -109466.3329 298.5156 -58.3681 -38.4548 761244.0361 -14.6405 -14.5922 PRESSURE: 3318000 303.878 -77.4811 -80.7454 -77.4824 -158.846 -126.256 -80.7453 -126.256 -194.227 GPRESSURE: 3318000 243.437 -64.7148 -127.31 -133.019 -149.367 -74.539 -71.2057 -160.95 -83.7293 PRESSAVG: 3318000 1.27052 21.9473 33.4829 21.9472 42.318 -47.8745 33.4829 -47.8746 20.7186 GPRESSAVG: 3318000 0.439593 22.9898 30.6595 22.4885 44.3694 -47.7683 34.4778 -48.1234 19.5029 TIMING: 3318000 CPU: 10367.3, 0.00309587/step Wall: 10367.3, 0.00309587/step, 1.44646 hours remaining, 236.183594 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: 3318000 4003.2255 20505.8146 14356.1793 243.4926 -203739.6776 2918.8965 0.0000 0.0000 52078.4676 -109633.6015 299.2957 -161712.0691 -109272.2167 298.5899 -16.3986 3.4467 761884.0603 21.4357 21.4373 PRESSURE: 3318200 61.3004 0.638087 -42.8777 0.637555 193.329 28.9249 -42.8775 28.9248 484.352 GPRESSURE: 3318200 119.587 -86.43 -64.6255 -9.96275 235.397 97.4137 -21.9115 107.75 462.641 PRESSAVG: 3318200 34.2466 -4.48609 18.6025 -4.48618 -15.7195 40.8024 18.6024 40.8024 -16.603 GPRESSAVG: 3318200 34.5477 -5.94471 20.9002 -4.23077 -16.3144 41.8581 20.607 41.2906 -16.2678 TIMING: 3318200 CPU: 10367.9, 0.00310605/step Wall: 10367.9, 0.00310605/step, 1.45104 hours remaining, 236.183594 MB of memory in use. ENERGY: 3318200 4003.0457 20379.2089 14396.2142 245.8949 -203960.4836 3171.5853 0.0000 0.0000 52084.7964 -109679.7381 299.3320 -161764.5345 -109320.9552 298.6741 246.3272 272.5416 759487.2633 0.6414 0.6552 PRESSURE: 3318400 89.9969 42.0234 197.311 42.0239 -469.496 24.8395 197.31 24.8394 -150.127 GPRESSURE: 3318400 159.157 126.717 118.263 -28.0299 -384.103 -53.4809 45.8341 71.8348 -218.293 PRESSAVG: 3318400 68.5689 14.9369 16.5247 14.937 -98.8226 58.9483 16.5247 58.9483 8.01945 GPRESSAVG: 3318400 67.9821 17.8992 15.2394 14.5192 -97.8646 56.1233 12.5435 60.5191 7.34884 TIMING: 3318400 CPU: 10368.5, 0.00311479/step Wall: 10368.5, 0.00311479/step, 1.45495 hours remaining, 236.183594 MB of memory in use. ENERGY: 3318400 3989.9454 20509.7581 14422.1690 242.6075 -203043.6226 2431.2215 0.0000 0.0000 52030.3109 -109417.6102 299.0189 -161447.9211 -109058.3055 298.6686 -176.5422 -147.7462 762004.6408 -7.4114 -7.5112 PRESSURE: 3318600 -210.572 -135.516 46.5118 -135.515 -361.181 104.066 46.5109 104.066 -116.531 GPRESSURE: 3318600 -252.524 -234.261 76.3898 -135.572 -349.822 89.0362 -6.90328 54.7125 -14.3205 PRESSAVG: 3318600 49.5772 30.1513 20.4713 30.1513 -9.61909 9.36891 20.4713 9.36883 0.152902 GPRESSAVG: 3318600 49.9558 27.4285 22.5362 31.6129 -10.6633 11.075 19.871 7.25494 0.987622 TIMING: 3318600 CPU: 10369.1, 0.00309988/step Wall: 10369.1, 0.00309988/step, 1.44782 hours remaining, 236.183594 MB of memory in use. ENERGY: 3318600 3951.6124 20549.9653 14400.5717 242.6747 -203215.1172 2561.9938 0.0000 0.0000 52220.7219 -109287.5774 300.1132 -161508.2993 -108921.0885 299.5004 -229.4278 -205.5556 762791.2020 13.3703 13.4267 PRESSURE: 3318800 -30.8348 88.0619 -168.588 88.0611 89.4111 -98.7706 -168.588 -98.772 297.723 GPRESSURE: 3318800 73.3798 136.536 -130.333 120.106 28.4764 -70.7071 -64.6988 -31.3719 316.409 PRESSAVG: 3318800 4.52902 -10.651 4.31201 -10.651 2.34792 10.4577 4.31201 10.4577 12.8712 GPRESSAVG: 3318800 4.63224 -9.59547 2.9985 -10.4817 1.70604 10.65 6.57352 10.941 12.6685 TIMING: 3318800 CPU: 10369.8, 0.00309177/step Wall: 10369.8, 0.00309177/step, 1.44386 hours remaining, 236.183594 MB of memory in use. ENERGY: 3318800 4020.5117 20470.9721 14380.9624 255.4751 -203297.8066 2803.1173 0.0000 0.0000 52065.2514 -109301.5167 299.2197 -161366.7680 -108937.5846 298.8031 118.7665 139.4218 761339.5650 6.5827 6.3356 PRESSURE: 3319000 291.2 -58.0942 -24.4657 -58.0936 38.4583 -135.24 -24.4661 -135.24 -364.836 GPRESSURE: 3319000 301.581 -10.9654 -66.972 1.52439 49.5463 -28.8634 -20.9455 -52.4873 -304.775 PRESSAVG: 3319000 61.3377 33.7829 -24.6842 33.7829 -65.9829 36.4575 -24.6842 36.4574 -1.82889 GPRESSAVG: 3319000 61.6234 31.2606 -24.919 32.6347 -66.4409 35.2238 -26.9406 37.311 -1.97655 TIMING: 3319000 CPU: 10370.4, 0.0031096/step Wall: 10370.4, 0.0031096/step, 1.45201 hours remaining, 236.183594 MB of memory in use. ENERGY: 3319000 4010.3190 20580.6682 14344.9314 249.7730 -203242.8782 2613.5362 0.0000 0.0000 51962.0894 -109481.5610 298.6268 -161443.6504 -109129.3291 299.3121 -11.7256 15.4507 763445.1619 -2.1580 -2.2647 PRESSURE: 3319200 21.4984 15.3315 -25.5313 15.3315 -152.739 -165.092 -25.5314 -165.092 11.5298 GPRESSURE: 3319200 -7.41003 11.4585 35.0118 -27.1588 -36.3167 -199.442 84.3187 47.5744 10.6302 PRESSAVG: 3319200 13.8048 29.9578 -38.0303 29.9579 -17.538 14.9422 -38.0303 14.9423 13.6981 GPRESSAVG: 3319200 12.074 30.9803 -39.0808 28.713 -16.4528 14.6187 -34.9617 14.7767 14.7309 TIMING: 3319200 CPU: 10371, 0.00311664/step Wall: 10371, 0.00311664/step, 1.45513 hours remaining, 236.183594 MB of memory in use. ENERGY: 3319200 3934.8584 20576.0961 14410.2129 264.9046 -203004.4981 2462.2255 0.0000 0.0000 52110.7911 -109245.4096 299.4814 -161356.2007 -108876.2108 299.5168 -39.9036 -11.0322 763336.9251 3.3217 3.4507 PRESSURE: 3319400 -246.937 103.402 94.084 103.402 -459.154 9.90292 94.0836 9.90295 -302.224 GPRESSURE: 3319400 -226.608 139.461 195.798 91.9996 -410.662 -39.1663 -126.696 28.9037 -310.564 PRESSAVG: 3319400 12.4163 39.3882 -9.06553 39.3882 -65.321 -9.03417 -9.06548 -9.0342 -0.657562 GPRESSAVG: 3319400 13.9859 41.5373 -7.93177 41.6269 -66.1574 -5.89905 -10.281 -11.6785 -1.95514 TIMING: 3319400 CPU: 10371.6, 0.00311736/step Wall: 10371.6, 0.00311736/step, 1.45529 hours remaining, 236.183594 MB of memory in use. ENERGY: 3319400 4040.6916 20661.0120 14354.7614 226.5480 -203324.3271 2580.2902 0.0000 0.0000 52162.6395 -109298.3844 299.7794 -161461.0239 -108943.4064 299.1097 -336.1051 -315.9448 763064.8121 -17.8541 -18.0422 PRESSURE: 3319600 -174.38 188.878 -86.7015 188.878 -89.9426 272.776 -86.7016 272.776 -59.725 GPRESSURE: 3319600 -111.375 256.746 -219.466 140.819 -67.4335 316.543 -128.218 258.206 -55.1807 PRESSAVG: 3319600 45.0856 9.47746 -46.1279 9.47746 -69.1416 -8.8056 -46.1278 -8.80563 21.644 GPRESSAVG: 3319600 44.1009 9.60529 -47.943 9.55168 -68.933 -11.4118 -46.6411 -5.46413 22.8844 TIMING: 3319600 CPU: 10372.3, 0.00312732/step Wall: 10372.3, 0.00312731/step, 1.45976 hours remaining, 236.183594 MB of memory in use. ENERGY: 3319600 3960.4685 20366.0696 14378.2382 253.1028 -202727.7600 2450.6486 0.0000 0.0000 52081.2451 -109237.9872 299.3116 -161319.2323 -108869.8604 299.2305 -108.0157 -77.9965 763248.3266 -0.8040 -0.6492 PRESSURE: 3319800 -87.7845 -38.8532 182.874 -38.853 -276.428 154.994 182.874 154.994 274.942 GPRESSURE: 3319800 -126.524 -100.582 127.998 -46.4203 -128.527 194.406 104.177 159.743 241.603 PRESSAVG: 3319800 22.7554 -9.98016 -2.49475 -9.98017 -7.83523 -27.9923 -2.49474 -27.9924 4.38276 GPRESSAVG: 3319800 24.2255 -9.3875 -2.22081 -11.2883 -6.86404 -28.1438 -1.75911 -30.0534 2.36201 TIMING: 3319800 CPU: 10372.9, 0.00310925/step Wall: 10372.9, 0.00310925/step, 1.45116 hours remaining, 236.183594 MB of memory in use. ENERGY: 3319800 4025.2117 20618.2893 14439.0825 252.0213 -203371.4980 2796.6617 0.0000 0.0000 52064.6547 -109175.5768 299.2163 -161240.2315 -108817.0277 299.2827 -29.7570 -4.4826 761704.5326 6.4343 6.5745 PRESSURE: 3320000 273.631 -4.62523 -30.2325 -4.62629 -212.793 4.86699 -30.2323 4.86685 -32.6012 GPRESSURE: 3320000 295.574 -23.3156 19.2265 15.3172 -180.206 -1.86562 5.10284 33.4691 0.70614 PRESSAVG: 3320000 -16.8621 34.0983 2.45549 34.0982 40.0267 -2.18508 2.45556 -2.185 7.17665 GPRESSAVG: 3320000 -17.9119 32.7692 3.54537 35.9843 39.0929 -2.7581 1.59131 -0.631399 8.44716 TIMING: 3320000 CPU: 10373.5, 0.00311435/step Wall: 10373.5, 0.00311435/step, 1.45336 hours remaining, 236.183594 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: 3320000 4025.4611 20638.1060 14448.5848 234.9239 -203040.1470 2540.9551 0.0000 0.0000 51905.4201 -109246.6960 298.3012 -161152.1160 -108888.4755 299.4528 9.4123 38.6912 762587.3494 10.1137 9.8760 PRESSURE: 3320200 -433.894 161.112 -48.1732 161.113 23.7207 -10.9022 -48.1736 -10.9007 -6.89652 GPRESSURE: 3320200 -378.277 309.149 6.76432 112.585 94.0238 49.7197 -88.8214 -64.9115 -31.7654 PRESSAVG: 3320200 6.4804 -11.8056 8.75573 -11.8057 -15.9638 14.5128 8.75574 14.5127 25.7032 GPRESSAVG: 3320200 7.54796 -11.7412 10.2992 -12.5734 -16.9461 15.4372 7.66789 13.7207 25.4736 TIMING: 3320200 CPU: 10374.1, 0.00310417/step Wall: 10374.1, 0.00310417/step, 1.44844 hours remaining, 236.183594 MB of memory in use. ENERGY: 3320200 4040.4056 20626.4008 14421.3877 233.8628 -203094.6928 2583.9903 0.0000 0.0000 51980.8083 -109207.8373 298.7344 -161188.6456 -108847.1152 298.7437 -139.0234 -105.3394 762937.0466 5.4066 5.3585 LDB: ============= START OF LOAD BALANCING ============== 10386.6 LDB: ============== END OF LOAD BALANCING =============== 10386.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10386.6 LDB: ============= START OF LOAD BALANCING ============== 10386.9 LDB: Largest compute 7031 load 0.029537 is 15.1% of average load 0.195173 LDB: Average compute 0.004382 is 2.2% of average load 0.195173 LDB: TIME 10386.9 LOAD: AVG 0.195173 MAX 0.215953 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.098 MB LDB: TIME 10386.9 LOAD: AVG 0.195173 MAX 0.215953 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.168 MB LDB: TIME 10386.9 LOAD: AVG 0.195173 MAX 0.215953 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.168 MB LDB: ============== END OF LOAD BALANCING =============== 10386.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10386.9 PRESSURE: 3320400 -166.532 -79.4298 111.687 -79.4309 -212.802 -4.79526 111.687 -4.79554 63.0004 GPRESSURE: 3320400 -85.1006 -59.2048 159.966 -63.0827 -161.606 4.61152 40.2037 22.186 28.2069 PRESSAVG: 3320400 -28.869 16.0694 -39.3365 16.0696 33.5543 18.1949 -39.3365 18.1949 14.7417 GPRESSAVG: 3320400 -28.0977 16.3519 -40.818 15.7386 33.7664 18.6983 -38.8563 20.1683 13.3646 TIMING: 3320400 CPU: 10374.8, 0.00318393/step Wall: 10374.8, 0.00318393/step, 1.48548 hours remaining, 235.066406 MB of memory in use. ENERGY: 3320400 3963.8479 20773.4961 14422.9328 239.6166 -202982.1871 2267.5271 0.0000 0.0000 51951.9506 -109362.8159 298.5686 -161314.7666 -109000.3198 299.3715 -105.4443 -72.8332 762017.1744 6.4756 6.3444 PRESSURE: 3320600 -264.84 -26.6325 -139.153 -26.633 -372.46 68.5869 -139.153 68.5873 -101.114 GPRESSURE: 3320600 -291.907 12.7089 -196.907 -63.8181 -232.511 32.7099 -100.812 170.824 -113.634 PRESSAVG: 3320600 -30.3528 11.5469 -31.968 11.5469 31.4269 6.10766 -31.968 6.10759 -20.5786 GPRESSAVG: 3320600 -30.4128 12.3412 -31.7559 9.75624 31.1451 5.77383 -31.9171 5.80229 -19.9569 TIMING: 3320600 CPU: 10375.4, 0.00313026/step Wall: 10375.4, 0.00313026/step, 1.46027 hours remaining, 235.066406 MB of memory in use. ENERGY: 3320600 4017.7675 20448.3218 14426.0834 259.0909 -203022.8403 2492.5889 0.0000 0.0000 51929.7566 -109449.2313 298.4410 -161378.9879 -109084.0423 298.6687 -246.1382 -212.6840 761746.1880 -6.5015 -6.4082 PRESSURE: 3320800 -122.952 100.378 184.163 100.377 216.708 310.111 184.164 310.11 -303.721 GPRESSURE: 3320800 -78.9926 180.293 70.5982 106.948 255.794 282.082 206.268 259.543 -294.866 PRESSAVG: 3320800 -34.6372 45.2065 30.5707 45.2064 42.2131 12.638 30.5707 12.638 -2.06085 GPRESSAVG: 3320800 -36.6506 46.3904 30.0776 45.5716 43.6165 14.584 31.7157 7.54286 -1.66429 TIMING: 3320800 CPU: 10376, 0.00310445/step Wall: 10376, 0.00310445/step, 1.44806 hours remaining, 235.066406 MB of memory in use. ENERGY: 3320800 4001.2864 20584.2875 14362.5921 244.4469 -203290.7253 2847.6244 0.0000 0.0000 51927.7224 -109322.7655 298.4293 -161250.4879 -108963.1620 299.4458 -69.9883 -39.3546 763433.2481 1.8384 1.7672 PRESSURE: 3321000 52.9234 -109.963 -0.9382 -109.963 -36.5486 -4.15467 -0.93777 -4.15404 303.287 GPRESSURE: 3321000 80.4309 -154.544 5.02636 -171.617 -64.9208 74.3105 -87.9637 -126.622 370.743 PRESSAVG: 3321000 -46.2281 23.206 -46.7361 23.2059 16.5849 -6.94384 -46.736 -6.94381 -0.603615 GPRESSAVG: 3321000 -44.8492 22.2223 -45.6094 26.0687 15.5112 -7.99824 -47.3953 -3.75928 -0.89185 TIMING: 3321000 CPU: 10376.6, 0.00311077/step Wall: 10376.6, 0.00311077/step, 1.45083 hours remaining, 235.066406 MB of memory in use. ENERGY: 3321000 3965.0190 20620.9808 14391.4726 239.2445 -203589.9375 3019.9955 0.0000 0.0000 52257.9475 -109095.2776 300.3271 -161353.2251 -108727.5536 299.9603 106.5538 128.7509 763331.4090 -10.0823 -10.0766 PRESSURE: 3321200 54.3673 6.37247 -75.593 6.37232 223.991 -19.1375 -75.5922 -19.137 -192.039 GPRESSURE: 3321200 34.0272 -42.1506 -169.829 -121.377 229.068 -47.3281 -76.5758 65.3792 -104.208 PRESSAVG: 3321200 4.77588 -28.9441 23.0955 -28.944 7.42401 12.3095 23.0955 12.3095 2.23712 GPRESSAVG: 3321200 3.93546 -28.3266 22.445 -31.8527 7.83657 13.1799 23.0772 13.4228 3.22978 TIMING: 3321200 CPU: 10377.2, 0.00310157/step Wall: 10377.2, 0.00310157/step, 1.44636 hours remaining, 235.066406 MB of memory in use. ENERGY: 3321200 4000.1240 20571.5035 14394.5359 233.3512 -203499.2844 2920.0950 0.0000 0.0000 52340.4053 -109039.2696 300.8010 -161379.6749 -108676.3183 299.4394 28.7729 52.9622 763645.5272 4.8123 5.0006 PRESSURE: 3321400 122.973 142.52 -259.214 142.52 -11.6437 -28.1406 -259.213 -28.1401 425.893 GPRESSURE: 3321400 85.7731 -29.0349 -222.095 152.351 139.11 2.13329 -249.214 53.1552 383.452 PRESSAVG: 3321400 50.1735 20.8528 -20.7136 20.8528 -72.1484 18.3519 -20.7136 18.3519 -11.619 GPRESSAVG: 3321400 50.8495 19.8185 -19.9028 21.263 -72.4449 17.2272 -20.1989 18.0969 -12.1534 TIMING: 3321400 CPU: 10377.9, 0.00310649/step Wall: 10377.9, 0.0031065/step, 1.44849 hours remaining, 235.066406 MB of memory in use. ENERGY: 3321400 3994.7805 20475.4625 14386.8445 238.5324 -203527.5000 3083.3815 0.0000 0.0000 52382.9681 -108965.5305 301.0456 -161348.4987 -108589.9110 299.8091 179.0739 202.7785 761612.7983 -11.1980 -11.2496 PRESSURE: 3321600 -194.814 35.0862 -83.4744 35.0858 19.659 40.3427 -83.4741 40.3437 8.09195 GPRESSURE: 3321600 -215.612 119.869 -108.28 -18.7529 63.6915 -18.0688 -135.222 55.226 65.0497 PRESSAVG: 3321600 -55.4982 5.49512 -29.3372 5.49517 36.5315 40.4328 -29.3372 40.4328 -11.5851 GPRESSAVG: 3321600 -55.9741 5.44006 -29.1911 6.14431 36.779 40.386 -29.4944 38.5841 -11.2717 TIMING: 3321600 CPU: 10378.5, 0.00310321/step Wall: 10378.5, 0.00310321/step, 1.44679 hours remaining, 235.066406 MB of memory in use. ENERGY: 3321600 3965.3124 20459.5983 14410.3735 247.4223 -202797.4177 2595.3183 0.0000 0.0000 52198.0821 -108921.3108 299.9831 -161119.3928 -108557.4570 300.0915 -55.6876 -28.9569 763191.2605 -10.1839 -10.1556 PRESSURE: 3321800 -56.1558 0.506606 -23.9702 0.505884 58.9055 -101.888 -23.9692 -101.887 -99.4312 GPRESSURE: 3321800 64.0868 -7.36113 -120.031 40.5594 80.8672 -72.4685 -47.0335 -76.728 -121.484 PRESSAVG: 3321800 -26.3674 23.3075 -44.1387 23.3074 28.3809 11.9017 -44.1386 11.9017 -2.96175 GPRESSAVG: 3321800 -25.3412 22.0979 -43.895 24.1946 28.1761 12.0053 -45.0674 14.019 -3.46965 TIMING: 3321800 CPU: 10379.1, 0.00309632/step Wall: 10379.1, 0.00309632/step, 1.4434 hours remaining, 235.066406 MB of memory in use. ENERGY: 3321800 3976.1180 20465.1144 14401.4146 266.3273 -203120.3700 2749.6704 0.0000 0.0000 52033.7774 -109227.9479 299.0388 -161261.7253 -108885.4461 299.5423 -32.2272 7.8233 761885.3814 -0.3161 -0.2116 PRESSURE: 3322000 -244.663 -74.7549 153.239 -74.7541 -71.6327 214.061 153.239 214.06 -64.2833 GPRESSURE: 3322000 -244.183 -65.8756 194.045 -54.9872 40.8648 346.641 28.4756 66.8911 -80.1553 PRESSAVG: 3322000 -2.38971 16.5826 -2.95021 16.5826 -18.3347 60.7951 -2.95021 60.7951 5.6954 GPRESSAVG: 3322000 -3.06538 18.2703 -2.12958 15.3938 -18.5318 61.3369 -3.80853 58.7015 6.33729 TIMING: 3322000 CPU: 10379.7, 0.00311978/step Wall: 10379.7, 0.00311978/step, 1.45416 hours remaining, 235.066406 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: 3322000 3987.6934 20348.7894 14480.7896 243.1860 -203110.4703 2637.0320 0.0000 0.0000 52222.1499 -109190.8299 300.1214 -161412.9799 -108827.0207 299.4851 -126.8597 -94.4913 762953.1221 -5.0097 -5.0866 PRESSURE: 3322200 134.01 133.363 108.297 133.364 275.334 1.65801 108.297 1.65806 67.2633 GPRESSURE: 3322200 221.829 158.849 45.1946 113.621 297.319 -55.7686 126.581 88.7237 32.7327 PRESSAVG: 3322200 -5.8884 44.9678 -41.1043 44.9677 65.2556 22.0673 -41.1043 22.0673 -7.03668 GPRESSAVG: 3322200 -5.92576 44.1815 -42.136 45.9073 65.2274 21.0372 -40.6784 23.319 -7.33788 TIMING: 3322200 CPU: 10380.3, 0.00310239/step Wall: 10380.3, 0.00310238/step, 1.44588 hours remaining, 235.066406 MB of memory in use. ENERGY: 3322200 3984.7478 20334.1037 14424.1361 265.0312 -203277.6494 2813.8620 0.0000 0.0000 52172.0240 -109283.7446 299.8333 -161455.7686 -108927.7549 299.1386 158.8693 183.9601 762374.0462 17.4435 17.3212 PRESSURE: 3322400 27.9717 -13.3921 59.4948 -13.3923 -159.37 -67.4194 59.4955 -67.4195 -182.133 GPRESSURE: 3322400 3.69268 -79.9401 93.4159 15.8783 -134.519 -53.0007 111.232 -155.22 -110.687 PRESSAVG: 3322400 -48.1229 14.1061 27.4496 14.1061 66.7157 15.0809 27.4496 15.0808 20.985 GPRESSAVG: 3322400 -48.4857 14.3334 26.8614 14.3675 67.0998 14.9392 28.502 16.8121 21.0496 TIMING: 3322400 CPU: 10381, 0.00311233/step Wall: 10381, 0.00311233/step, 1.45035 hours remaining, 235.066406 MB of memory in use. ENERGY: 3322400 4005.3528 20672.1580 14481.6659 269.5213 -203271.3521 2633.4196 0.0000 0.0000 51930.3106 -109278.9239 298.4442 -161209.2344 -108915.4220 299.3976 -104.5107 -80.5043 761543.8966 13.1926 13.2212 PRESSURE: 3322600 -166.502 63.1828 78.0602 63.1827 162.62 97.8399 78.0604 97.8393 75.1323 GPRESSURE: 3322600 -129.121 89.7012 134.121 10.4383 194.877 124.073 64.5752 -71.0553 101.366 PRESSAVG: 3322600 -67.6105 43.448 -4.18749 43.448 93.6195 58.0315 -4.18747 58.0315 20.0628 GPRESSAVG: 3322600 -67.7073 42.9796 -2.76387 43.8968 94.5282 59.0531 -5.23709 54.7911 19.354 TIMING: 3322600 CPU: 10381.6, 0.00311314/step Wall: 10381.6, 0.00311314/step, 1.45055 hours remaining, 235.066406 MB of memory in use. ENERGY: 3322600 3954.9986 20270.1586 14382.7433 236.9948 -203337.4155 2813.7383 0.0000 0.0000 52247.8562 -109430.9258 300.2691 -161678.7820 -109065.7471 299.5207 23.7503 55.7073 762526.5307 15.3573 15.3917 PRESSURE: 3322800 3.20315 7.2117 -110.233 7.21131 -141.328 -98.851 -110.232 -98.8506 257.286 GPRESSURE: 3322800 53.9395 108.002 19.2712 35.6274 -110.048 -131.049 -30.1426 -17.4974 267.435 PRESSAVG: 3322800 -25.0843 47.3294 -60.8259 47.3294 -10.9849 12.3204 -60.8259 12.3204 -17.3359 GPRESSAVG: 3322800 -24.6878 47.4042 -60.7578 47.4552 -12.359 11.4293 -59.5692 15.6059 -16.9477 TIMING: 3322800 CPU: 10382.2, 0.00310108/step Wall: 10382.2, 0.00310108/step, 1.44476 hours remaining, 235.066406 MB of memory in use. ENERGY: 3322800 3986.9499 20397.5304 14386.6617 270.6786 -203083.9159 2564.6644 0.0000 0.0000 52011.7967 -109465.6342 298.9125 -161477.4309 -109097.4097 298.9461 39.7204 70.4423 763498.3420 -17.8017 -17.9982 PRESSURE: 3323000 50.391 -109.657 -242.662 -109.656 -131.706 -41.0175 -242.662 -41.0175 -102.069 GPRESSURE: 3323000 84.3392 51.6596 -197.549 -163.938 -123.323 -42.1515 -117.628 -126.848 -55.8056 PRESSAVG: 3323000 -23.0254 51.6919 5.98164 51.6919 24.0506 -38.5594 5.98164 -38.5593 19.9657 GPRESSAVG: 3323000 -23.1754 53.8766 4.96849 50.0859 24.1242 -37.66 4.67792 -41.3103 19.9808 TIMING: 3323000 CPU: 10382.8, 0.00309741/step Wall: 10382.8, 0.00309741/step, 1.44288 hours remaining, 235.066406 MB of memory in use. ENERGY: 3323000 3906.5769 20461.2449 14464.2332 254.5255 -202864.5606 2530.7940 0.0000 0.0000 51903.7344 -109343.4515 298.2915 -161247.1859 -108976.8044 298.8368 -61.1281 -31.5966 762523.1754 6.9969 6.9765 PRESSURE: 3323200 -117.619 67.0786 -124.129 67.0784 -121.479 -34.5544 -124.129 -34.5554 -205.564 GPRESSURE: 3323200 -66.8874 54.5169 -147.22 90.0904 -67.8372 51.5705 -51.2534 18.9023 -239.924 PRESSAVG: 3323200 15.357 0.256687 11.6573 0.256651 -39.3164 -53.1302 11.6573 -53.1302 -15.9698 GPRESSAVG: 3323200 14.9737 -0.755263 12.0994 0.282786 -39.3661 -54.7814 14.8399 -50.9949 -15.97 TIMING: 3323200 CPU: 10383.5, 0.00309666/step Wall: 10383.5, 0.00309666/step, 1.44236 hours remaining, 235.066406 MB of memory in use. ENERGY: 3323200 4027.5323 20348.1233 14441.5935 252.1843 -203233.1231 2703.6162 0.0000 0.0000 52117.3411 -109342.7324 299.5191 -161460.0735 -108988.4783 299.5565 -148.2207 -124.8829 764425.9019 -13.3097 -13.4541 PRESSURE: 3323400 -123.805 -143.852 -109.558 -143.853 278.051 -22.9939 -109.559 -22.9943 -576.265 GPRESSURE: 3323400 -102.051 -173.528 -133.898 -142.862 322.857 -13.688 -10.5482 -42.6168 -553.095 PRESSAVG: 3323400 34.09 64.3334 46.4914 64.3333 -44.2151 54.2933 46.4914 54.2932 -6.91542 GPRESSAVG: 3323400 34.8544 64.825 47.3056 64.1043 -45.3956 55.8158 43.9499 51.9555 -6.75968 TIMING: 3323400 CPU: 10384.1, 0.00309731/step Wall: 10384.1, 0.00309731/step, 1.44248 hours remaining, 235.066406 MB of memory in use. ENERGY: 3323400 3975.3480 20628.2986 14495.3752 246.6223 -203416.1060 2794.9981 0.0000 0.0000 52149.3318 -109126.1321 299.7029 -161275.4638 -108760.1017 299.4991 -140.6732 -110.7629 764364.6706 -5.6802 -5.7670 PRESSURE: 3323600 -153.861 111.444 -151.388 111.444 -66.0552 3.34494 -151.388 3.34495 -145.68 GPRESSURE: 3323600 -180.044 84.6984 -139.356 96.1251 -24.2637 -74.7649 -220.77 14.008 -74.5429 PRESSAVG: 3323600 -47.7518 68.0807 10.2389 68.0807 14.4562 61.0632 10.2389 61.0632 -12.4774 GPRESSAVG: 3323600 -48.0467 65.2628 9.50799 68.8981 15.792 60.1686 7.96248 63.9382 -12.7434 TIMING: 3323600 CPU: 10384.7, 0.00311938/step Wall: 10384.7, 0.00311938/step, 1.45259 hours remaining, 235.066406 MB of memory in use. ENERGY: 3323600 4038.1874 20725.6331 14492.7659 251.9018 -203140.3640 2831.1663 0.0000 0.0000 51890.6629 -108910.0465 298.2164 -160800.7094 -108546.6695 299.9326 -121.8653 -92.9501 765090.9833 -15.2577 -14.9994 PRESSURE: 3323800 -128.936 -10.8143 -187.196 -10.8146 -30.4158 -25.0911 -187.195 -25.0904 94.0456 GPRESSURE: 3323800 -66.0034 14.2385 -145.383 10.4046 -13.6996 37.6789 -186.978 -41.1673 94.8726 PRESSAVG: 3323800 -5.57875 37.609 -15.8579 37.609 -15.6688 1.06347 -15.8579 1.0634 -6.3894 GPRESSAVG: 3323800 -4.87246 40.9764 -15.3271 37.7908 -15.9109 1.2174 -12.7423 -1.98102 -6.78329 TIMING: 3323800 CPU: 10385.3, 0.00312702/step Wall: 10385.3, 0.00312702/step, 1.45598 hours remaining, 235.066406 MB of memory in use. ENERGY: 3323800 3994.9732 20558.0670 14340.7419 264.4759 -203180.0292 2729.5317 0.0000 0.0000 52224.6794 -109067.5600 300.1360 -161292.2395 -108700.0611 300.0441 -21.7687 5.0565 765106.5228 -9.2123 -9.1889 PRESSURE: 3324000 -269.302 232.332 111.999 232.332 84.1858 -208.218 111.998 -208.218 248.995 GPRESSURE: 3324000 -185.958 99.5341 110.886 104.856 50.8187 -192.002 74.9679 -150.334 265.969 PRESSAVG: 3324000 -45.0349 39.8125 -12.5127 39.8125 8.36309 -4.48359 -12.5127 -4.48357 -2.74638 GPRESSAVG: 3324000 -45.5424 38.1631 -12.5163 39.2042 7.26936 -3.49693 -12.9855 -4.69495 -2.07036 TIMING: 3324000 CPU: 10385.9, 0.00311136/step Wall: 10385.9, 0.00311136/step, 1.44851 hours remaining, 235.066406 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: 3324000 3883.3289 20513.9361 14447.5623 240.8627 -203276.7698 2804.7182 0.0000 0.0000 52403.1482 -108983.2134 301.1616 -161386.3617 -108623.9613 299.9480 21.2929 43.6100 765862.2864 -13.1394 -13.4478 PRESSURE: 3324200 -196.687 123.466 -46.4491 123.467 17.9424 -93.8089 -46.4493 -93.8081 368.801 GPRESSURE: 3324200 -153.717 -32.6033 38.5436 115.092 93.6005 -102.93 -79.5127 -112.163 315.967 PRESSAVG: 3324200 -26.019 1.93375 -6.32231 1.93375 21.3238 17.2599 -6.32226 17.2601 -7.88231 GPRESSAVG: 3324200 -26.7399 2.38388 -6.05368 1.79804 22.0114 17.4944 -5.12996 20.0353 -8.44587 TIMING: 3324200 CPU: 10386.6, 0.00311613/step Wall: 10386.6, 0.00311613/step, 1.45056 hours remaining, 235.066406 MB of memory in use. ENERGY: 3324200 3882.0862 20523.6521 14436.0817 242.0794 -203122.1491 2853.9901 0.0000 0.0000 52371.9386 -108812.3210 300.9823 -161184.2596 -108445.1344 299.8279 63.3521 85.2836 762785.7238 -4.1925 -4.3915 LDB: ============= START OF LOAD BALANCING ============== 10399 LDB: ============== END OF LOAD BALANCING =============== 10399 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10399 LDB: ============= START OF LOAD BALANCING ============== 10399.4 LDB: Largest compute 7056 load 0.030504 is 15.6% of average load 0.195125 LDB: Average compute 0.004397 is 2.3% of average load 0.195125 LDB: TIME 10399.4 LOAD: AVG 0.195125 MAX 0.218983 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.035 MB LDB: TIME 10399.4 LOAD: AVG 0.195125 MAX 0.218983 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.035 MB LDB: TIME 10399.4 LOAD: AVG 0.195125 MAX 0.216784 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.035 MB LDB: ============== END OF LOAD BALANCING =============== 10399.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10399.4 PRESSURE: 3324400 -37.2308 -126.74 -9.55164 -126.739 134.421 -19.9333 -9.55125 -19.9349 199.804 GPRESSURE: 3324400 -10.2979 -23.5564 -70.2501 -136.408 257.738 53.6984 68.8737 -180.246 162.626 PRESSAVG: 3324400 -93.512 22.6882 43.618 22.6882 88.3068 16.8199 43.618 16.82 14.6187 GPRESSAVG: 3324400 -91.9219 22.8366 44.4438 24.941 88.0886 17.105 42.4547 14.6668 13.781 TIMING: 3324400 CPU: 10387.2, 0.00317297/step Wall: 10387.2, 0.00317297/step, 1.47684 hours remaining, 234.292969 MB of memory in use. ENERGY: 3324400 3950.6790 20488.2746 14458.6062 248.5258 -203097.4866 2651.6494 0.0000 0.0000 52137.0871 -109162.6644 299.6326 -161299.7515 -108786.9026 299.2317 98.9980 136.6888 762059.2839 3.1378 3.3159 PRESSURE: 3324600 -55.4398 6.62503 -187.479 6.62445 119.34 218.875 -187.479 218.875 -37.7468 GPRESSURE: 3324600 -36.6604 98.055 -204.864 66.8084 174.514 184.62 -192.911 193.223 -29.9688 PRESSAVG: 3324600 -21.2252 28.2819 -10.477 28.2819 28.3135 23.4543 -10.477 23.4543 5.0935 GPRESSAVG: 3324600 -20.4969 28.1843 -12.685 27.1074 27.9395 22.6708 -8.73564 23.4506 4.60371 TIMING: 3324600 CPU: 10387.8, 0.00312172/step Wall: 10387.8, 0.00312172/step, 1.45281 hours remaining, 234.363281 MB of memory in use. ENERGY: 3324600 3990.4044 20528.3014 14496.7359 250.5055 -203114.7767 2660.7386 0.0000 0.0000 52069.8314 -109118.2595 299.2460 -161188.0909 -108748.3026 299.4951 8.7179 35.9616 763646.0189 4.0606 4.0154 PRESSURE: 3324800 -36.7042 107.089 -85.553 107.089 -39.5349 -38.5082 -85.552 -38.5077 -38.8213 GPRESSURE: 3324800 -50.3782 138.492 -20.9116 197.554 -82.7345 69.0509 -123.612 -112.786 78.5821 PRESSAVG: 3324800 -46.8999 21.2793 -1.06736 21.2794 54.4266 -41.661 -1.06734 -41.6609 13.8298 GPRESSAVG: 3324800 -49.4129 22.5087 -1.56878 21.2518 55.1142 -42.0369 -0.627601 -41.0274 15.2012 TIMING: 3324800 CPU: 10388.4, 0.00311766/step Wall: 10388.4, 0.00311766/step, 1.45075 hours remaining, 234.363281 MB of memory in use. ENERGY: 3324800 3980.2375 20585.3912 14446.1747 239.3429 -203271.3042 2871.9033 0.0000 0.0000 52083.9423 -109064.3124 299.3271 -161148.2547 -108689.2359 299.3172 -38.3535 -18.1769 763856.6078 7.1188 6.9675 PRESSURE: 3325000 -398.747 28.0128 128.239 28.0128 -3.10608 126.606 128.239 126.607 -29.5424 GPRESSURE: 3325000 -270.28 4.03781 143.37 66.2424 -63.231 142.366 89.7053 179.48 -9.87167 PRESSAVG: 3325000 -42.8599 -7.23579 -35.2657 -7.23579 44.9752 -5.32402 -35.2658 -5.32406 17.6409 GPRESSAVG: 3325000 -42.0872 -8.92957 -34.0867 -5.62784 45.0886 -5.52906 -36.2274 -6.76422 17.0787 TIMING: 3325000 CPU: 10389.1, 0.00310604/step Wall: 10389.1, 0.00310604/step, 1.44517 hours remaining, 234.363281 MB of memory in use. ENERGY: 3325000 3986.8510 20467.3356 14396.0522 248.4619 -203214.7048 2643.7714 0.0000 0.0000 52340.2216 -109132.0112 300.8000 -161472.2328 -108752.0425 299.2206 -143.7985 -114.4608 764139.7315 6.5854 6.6934 PRESSURE: 3325200 -321.799 5.93135 -21.8532 5.93139 14.0451 -197.781 -21.8527 -197.779 -139.311 GPRESSURE: 3325200 -262.648 93.6987 -8.87465 -52.739 88.5693 -221.228 126.488 -159.385 -193.515 PRESSAVG: 3325200 -92.5118 7.41571 2.37162 7.4157 75.4086 33.3302 2.37167 33.3303 -5.24163 GPRESSAVG: 3325200 -93.4522 8.1477 2.66092 6.38058 76.291 33.8878 4.60564 36.4378 -4.76978 TIMING: 3325200 CPU: 10389.7, 0.00310785/step Wall: 10389.7, 0.00310785/step, 1.44584 hours remaining, 234.363281 MB of memory in use. ENERGY: 3325200 4049.2262 20617.5772 14364.4078 240.5871 -203337.1470 2919.5911 0.0000 0.0000 52084.7908 -109060.9668 299.3320 -161145.7576 -108698.8456 299.7886 -149.0215 -122.5312 763685.2776 -7.4483 -7.3103 PRESSURE: 3325400 16.9758 -52.4822 95.3984 -52.4822 -142.388 72.1802 95.3986 72.1807 -335.479 GPRESSURE: 3325400 244.017 -60.7585 137.935 -27.8784 -281.023 36.5405 -59.7856 69.2413 -329.416 PRESSAVG: 3325400 -6.60835 -5.67346 -7.35736 -5.67351 33.8508 -10.0607 -7.35737 -10.0607 24.9586 GPRESSAVG: 3325400 -4.20251 -4.84289 -5.76628 -6.03184 31.9047 -10.2147 -11.3522 -11.6941 24.4855 TIMING: 3325400 CPU: 10390.3, 0.00310027/step Wall: 10390.3, 0.00310027/step, 1.44214 hours remaining, 234.363281 MB of memory in use. ENERGY: 3325400 4052.9523 20747.6887 14422.2959 260.1796 -202766.7686 2426.1706 0.0000 0.0000 52058.2742 -108799.2073 299.1796 -160857.4814 -108437.5792 300.1496 -153.6303 -122.1407 764394.8456 17.4003 17.3959 PRESSURE: 3325600 -48.6108 -192.554 21.0955 -192.555 -158.808 -66.7816 21.0958 -66.7817 22.6176 GPRESSURE: 3325600 -50.6377 -163.79 -36.1157 -46.6874 -47.9737 -130.219 67.0346 -63.1694 0.632038 PRESSAVG: 3325600 -23.6861 -20.0459 35.2341 -20.0459 24.1458 -15.4039 35.234 -15.4039 -10.557 GPRESSAVG: 3325600 -24.2943 -20.7094 34.5753 -19.924 24.4664 -15.5163 34.5676 -13.9914 -10.0954 TIMING: 3325600 CPU: 10390.9, 0.00311423/step Wall: 10390.9, 0.00311423/step, 1.44846 hours remaining, 234.363281 MB of memory in use. ENERGY: 3325600 4031.2258 20719.3854 14388.4257 238.8229 -203056.6020 2772.0089 0.0000 0.0000 51994.0867 -108912.6467 298.8107 -160906.7334 -108564.7364 300.0185 -61.6003 -32.6598 764106.6805 -3.3658 -3.3078 PRESSURE: 3325800 -239.402 -66.249 -54.6112 -66.2478 -179.549 -151.378 -54.6108 -151.377 -89.1678 GPRESSURE: 3325800 -126.835 -51.9331 -12.6405 -93.2419 -166.175 -99.8709 -78.6018 -80.0125 -134.478 PRESSAVG: 3325800 46.8724 -31.3745 33.9536 -31.3745 -27.0123 -21.464 33.9537 -21.464 -9.4961 GPRESSAVG: 3325800 46.5321 -30.3965 33.2294 -30.6725 -27.5567 -20.97 35.0851 -23.2077 -9.27886 TIMING: 3325800 CPU: 10391.6, 0.00311877/step Wall: 10391.6, 0.00311877/step, 1.4504 hours remaining, 234.363281 MB of memory in use. ENERGY: 3325800 4063.8077 20613.8213 14414.8137 233.6340 -202790.4073 2576.8160 0.0000 0.0000 51997.4342 -108890.0805 298.8300 -160887.5147 -108524.4003 299.8323 -169.3729 -142.4959 765591.0982 3.4546 3.2322 PRESSURE: 3326000 157.465 182.163 15.6777 182.163 -152.727 236.013 15.6785 236.014 -193.79 GPRESSURE: 3326000 161.153 126.666 89.7239 195.485 -70.845 174.026 45.3071 293.251 -189.267 PRESSAVG: 3326000 1.42891 9.46085 43.0855 9.46086 35.9686 -4.69755 43.0854 -4.69757 15.6977 GPRESSAVG: 3326000 1.96272 8.25809 43.214 8.61017 36.2584 -4.08686 43.5926 -4.36178 15.1787 TIMING: 3326000 CPU: 10392.2, 0.00312913/step Wall: 10392.2, 0.00312913/step, 1.45504 hours remaining, 234.363281 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: 3326000 4009.2528 20753.9794 14376.1669 247.9871 -203022.6265 2776.1318 0.0000 0.0000 52024.6171 -108834.4914 298.9862 -160859.1085 -108479.0467 299.3155 -63.0174 -32.9864 764444.7194 17.6984 17.7999 PRESSURE: 3326200 278.624 -134.435 61.6904 -134.435 66.5007 -71.6614 61.69 -71.6628 132.653 GPRESSURE: 3326200 271.271 -56.5641 40.6345 -71.7629 136.656 -29.0979 51.754 -91.6133 165.581 PRESSAVG: 3326200 20.7959 -13.7904 -7.03309 -13.7905 -6.28518 20.0481 -7.03311 20.048 -25.7567 GPRESSAVG: 3326200 19.7695 -15.1883 -6.58055 -12.7791 -5.58701 19.7288 -7.7902 19.1905 -25.4211 TIMING: 3326200 CPU: 10392.8, 0.00312191/step Wall: 10392.8, 0.00312191/step, 1.45151 hours remaining, 234.363281 MB of memory in use. ENERGY: 3326200 3997.5442 20587.6864 14420.8703 256.9202 -203115.7260 2897.0492 0.0000 0.0000 52120.6857 -108834.9701 299.5383 -160955.6558 -108487.6174 299.4581 159.2590 191.1694 762458.9962 -3.7487 -3.7462 PRESSURE: 3326400 -72.6672 -14.3107 36.5372 -14.3114 125.212 69.0621 36.537 69.0623 98.9677 GPRESSURE: 3326400 -114.959 -67.7979 28.1585 25.3548 151.966 51.5397 -7.94253 94.6858 167.703 PRESSAVG: 3326400 -26.8146 5.98448 10.3255 5.98444 17.0364 -12.385 10.3256 -12.3849 -19.0605 GPRESSAVG: 3326400 -27.7336 7.55735 11.0091 5.42676 18.4719 -11.5549 9.92672 -10.3954 -19.4034 TIMING: 3326400 CPU: 10393.4, 0.00311147/step Wall: 10393.4, 0.00311147/step, 1.44649 hours remaining, 234.363281 MB of memory in use. ENERGY: 3326400 3907.9832 20433.3388 14395.6488 223.8273 -203181.3186 2767.1661 0.0000 0.0000 52387.5618 -109065.7925 301.0720 -161453.3543 -108688.6262 299.8617 50.5041 68.2368 762225.3014 -9.6129 -9.5550 PRESSURE: 3326600 17.7929 -62.5942 -101.659 -62.5946 171.185 168.102 -101.658 168.103 50.1851 GPRESSURE: 3326600 97.5305 -15.5562 -26.5535 -1.11559 142.671 157.247 -44.9963 141.152 83.9852 PRESSAVG: 3326600 -11.0186 2.99682 62.3367 2.99686 34.9818 -10.6363 62.3367 -10.6363 17.1708 GPRESSAVG: 3326600 -9.98853 4.96408 61.1205 0.749606 33.4473 -13.8094 62.8729 -9.98823 17.7443 TIMING: 3326600 CPU: 10394.1, 0.00310201/step Wall: 10394.1, 0.00310201/step, 1.44192 hours remaining, 234.363281 MB of memory in use. ENERGY: 3326600 3937.0676 20582.8483 14399.6656 242.3841 -203204.9410 2746.7372 0.0000 0.0000 52214.7268 -109081.5115 300.0788 -161296.2383 -108714.7377 299.3553 79.7211 108.0622 761732.9861 13.7113 13.7344 PRESSURE: 3326800 -318.857 -55.8793 -13.4946 -55.8798 22.4093 152.314 -13.4939 152.315 -162.704 GPRESSURE: 3326800 -214.46 -191.148 72.2051 2.56133 29.5136 150.248 24.7581 265.76 -185.411 PRESSAVG: 3326800 -60.3158 -1.51367 31.8267 -1.51367 74.3848 -7.76036 31.8267 -7.76034 2.15955 GPRESSAVG: 3326800 -58.7007 -3.27878 33.3585 0.479222 74.2534 -4.23349 32.5794 -11.8621 0.786175 TIMING: 3326800 CPU: 10394.7, 0.00310895/step Wall: 10394.7, 0.00310895/step, 1.44497 hours remaining, 234.363281 MB of memory in use. ENERGY: 3326800 4017.7289 20405.2058 14419.2981 218.2247 -203384.1748 2895.9986 0.0000 0.0000 51972.1698 -109455.5489 298.6848 -161427.7187 -109087.6236 299.5803 -153.0506 -123.4527 761879.0128 5.4095 5.4463 PRESSURE: 3327000 -441.854 -45.7469 -112.724 -45.7469 -29.8785 169.308 -112.724 169.309 270.408 GPRESSURE: 3327000 -252.531 -4.14515 -108.092 -75.7816 -58.1286 198.085 -85.6066 68.7457 212.929 PRESSAVG: 3327000 -7.43496 -2.97736 35.2545 -2.97731 31.8956 45.4153 35.2545 45.4154 25.9441 GPRESSAVG: 3327000 -8.3083 -3.78655 34.5698 -3.58552 32.2647 45.41 34.5721 47.8876 26.8629 TIMING: 3327000 CPU: 10395.3, 0.0031111/step Wall: 10395.3, 0.0031111/step, 1.4458 hours remaining, 234.363281 MB of memory in use. ENERGY: 3327000 3987.1230 20491.5664 14420.1409 239.6599 -203229.6776 2603.3537 0.0000 0.0000 52085.6687 -109402.1650 299.3371 -161487.8337 -109049.4214 299.4240 -67.1080 -32.5769 761499.5375 16.8016 16.9397 PRESSURE: 3327200 362.481 -11.7281 281.577 -11.729 113.976 -291.23 281.577 -291.23 -234.524 GPRESSURE: 3327200 384.316 96.0823 240.902 -43.0969 133.979 -219.576 176.412 -210.506 -183.789 PRESSAVG: 3327200 -3.17059 -23.9991 10.7091 -23.9991 28.7829 -8.50546 10.7091 -8.50553 -11.126 GPRESSAVG: 3327200 -2.85319 -24.6587 10.8422 -23.5651 29.2175 -9.74305 10.8844 -8.57744 -11.4315 TIMING: 3327200 CPU: 10395.9, 0.00309517/step Wall: 10395.9, 0.00309517/step, 1.43822 hours remaining, 234.363281 MB of memory in use. ENERGY: 3327200 3926.2319 20514.4610 14397.6385 249.5428 -203296.6188 2849.9014 0.0000 0.0000 51970.8253 -109388.0179 298.6770 -161358.8431 -109035.5841 299.1125 80.6440 111.5019 761204.5831 4.8288 4.9776 PRESSURE: 3327400 -239.032 101.026 -218.401 101.026 -143.891 181.787 -218.401 181.785 15.2877 GPRESSURE: 3327400 -91.0994 19.3239 -202.573 112.109 -207.017 96.1186 -144.634 202.812 1.27718 PRESSAVG: 3327400 -36.529 -27.2516 -6.24876 -27.2516 57.3973 -9.02341 -6.24878 -9.02337 15.927 GPRESSAVG: 3327400 -37.4537 -25.5623 -5.82783 -25.6675 57.8436 -8.50973 -4.95594 -10.0121 16.381 TIMING: 3327400 CPU: 10396.5, 0.00310513/step Wall: 10396.5, 0.00310513/step, 1.44268 hours remaining, 234.363281 MB of memory in use. ENERGY: 3327400 3919.5227 20654.9268 14475.0734 245.3198 -203539.8402 2805.9346 0.0000 0.0000 51938.1065 -109500.9565 298.4890 -161439.0630 -109144.6872 298.8443 -122.5450 -98.9465 763763.1133 12.2651 12.2570 PRESSURE: 3327600 258.04 -205.248 55.8358 -205.249 167.988 -106.382 55.8349 -106.381 -87.0541 GPRESSURE: 3327600 277.979 -137.871 25.217 -284.712 163.443 -115.753 7.55283 -8.96501 -27.7956 PRESSAVG: 3327600 43.245 -30.6509 -4.37494 -30.6509 -5.06074 55.1803 -4.37502 55.1804 -9.7057 GPRESSAVG: 3327600 42.9483 -29.6035 -4.11541 -32.1081 -5.66197 54.9006 -7.02223 55.6465 -9.22644 TIMING: 3327600 CPU: 10397.2, 0.00309349/step Wall: 10397.2, 0.00309349/step, 1.4371 hours remaining, 234.363281 MB of memory in use. ENERGY: 3327600 3921.0133 20536.8746 14365.2929 258.3821 -203387.0097 2889.2286 0.0000 0.0000 51978.2566 -109437.9616 298.7198 -161416.2182 -109075.5307 299.1791 112.9912 137.8753 763681.5094 9.4929 9.3533 PRESSURE: 3327800 -249.139 147.442 -59.0941 147.442 -132.425 77.124 -59.0933 77.1246 115.281 GPRESSURE: 3327800 -166.772 50.1724 36.0743 178.014 -130.323 35.1092 -74.4047 86.817 113.429 PRESSAVG: 3327800 10.5186 0.899669 13.5154 0.899669 -44.3759 39.4235 13.5153 39.4235 -13.8858 GPRESSAVG: 3327800 11.3956 0.00534598 10.9147 -0.0243781 -44.1912 36.8396 15.7469 41.5277 -14.8552 TIMING: 3327800 CPU: 10397.8, 0.00311253/step Wall: 10397.8, 0.00311253/step, 1.44577 hours remaining, 234.363281 MB of memory in use. ENERGY: 3327800 3919.9947 20408.4805 14400.5751 224.7649 -203171.8326 2697.0277 0.0000 0.0000 51907.0650 -109613.9248 298.3106 -161520.9897 -109248.5812 298.4762 -88.7612 -61.2218 763332.2020 -15.9144 -15.8836 PRESSURE: 3328000 -26.0218 -138.123 319.808 -138.122 -314.752 -167.712 319.808 -167.712 -41.7014 GPRESSURE: 3328000 -63.9637 -99.4818 262.983 -13.2776 -262.561 -182.001 323.375 -223.7 29.0698 PRESSAVG: 3328000 -30.5144 -11.7896 -37.1542 -11.7895 -8.03271 -11.8447 -37.1542 -11.8447 22.1361 GPRESSAVG: 3328000 -30.6504 -12.2481 -35.6821 -11.1431 -9.6399 -9.15095 -39.0082 -14.3112 23.5896 TIMING: 3328000 CPU: 10398.4, 0.00311442/step Wall: 10398.4, 0.00311442/step, 1.44647 hours remaining, 234.363281 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: 3328000 3960.7892 20425.1052 14424.2948 252.2966 -203158.7706 2535.1510 0.0000 0.0000 52058.1185 -109503.0154 299.1787 -161561.1340 -109142.9221 299.1099 -127.4919 -99.1516 763186.0759 -5.4703 -5.5669 PRESSURE: 3328200 127.48 114.778 -227.463 114.778 -182.846 -42.958 -227.463 -42.9578 -190.493 GPRESSURE: 3328200 166.334 -104.187 -162.457 101.269 -114.315 -90.7029 -156.672 -32.986 -207.931 PRESSAVG: 3328200 44.2207 -25.0291 -10.7552 -25.0291 -38.2375 19.9528 -10.7553 19.9528 10.2138 GPRESSAVG: 3328200 45.3864 -25.652 -9.49673 -24.4526 -38.6831 19.3252 -12.2013 22.1246 9.94737 TIMING: 3328200 CPU: 10399, 0.00309873/step Wall: 10399, 0.00309873/step, 1.43902 hours remaining, 234.363281 MB of memory in use. ENERGY: 3328200 3877.8021 20432.0059 14424.4482 245.7997 -203216.4105 2736.2106 0.0000 0.0000 52024.2724 -109475.8715 298.9842 -161500.1439 -109109.8172 298.8477 -81.9529 -51.9704 761914.2448 5.3990 5.5502 LDB: ============= START OF LOAD BALANCING ============== 10411.5 LDB: ============== END OF LOAD BALANCING =============== 10411.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10411.5 LDB: ============= START OF LOAD BALANCING ============== 10411.8 LDB: Largest compute 7056 load 0.029132 is 14.9% of average load 0.195163 LDB: Average compute 0.004394 is 2.3% of average load 0.195163 LDB: TIME 10411.8 LOAD: AVG 0.195163 MAX 0.212559 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.605 MB LDB: TIME 10411.8 LOAD: AVG 0.195163 MAX 0.212559 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.766 MB LDB: TIME 10411.8 LOAD: AVG 0.195163 MAX 0.212559 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.766 MB LDB: ============== END OF LOAD BALANCING =============== 10411.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10411.8 PRESSURE: 3328400 -254.265 -84.6844 63.9589 -84.6838 -79.6048 66.9903 63.9598 66.9899 -293.995 GPRESSURE: 3328400 -284.365 -229.839 62.8934 -147.4 -52.9622 -20.2425 18.4153 98.19 -239.979 PRESSAVG: 3328400 34.9568 20.6349 61.9268 20.6349 -37.1186 11.7581 61.9268 11.7581 -10.3769 GPRESSAVG: 3328400 33.6438 19.814 61.5302 21.9832 -35.2881 10.738 63.1032 8.65454 -10.7968 TIMING: 3328400 CPU: 10399.7, 0.00317959/step Wall: 10399.7, 0.00317959/step, 1.47639 hours remaining, 235.730469 MB of memory in use. ENERGY: 3328400 3975.1942 20445.4315 14340.6753 245.4812 -202568.7777 2116.6530 0.0000 0.0000 51803.1771 -109642.1653 297.7136 -161445.3424 -109274.9420 298.7587 -209.2880 -192.4355 763273.4808 -4.1796 -4.1470 PRESSURE: 3328600 -62.6863 -188.946 -103.598 -188.945 -67.8847 224.124 -103.599 224.125 283.82 GPRESSURE: 3328600 -40.1079 -10.8897 -135.505 -145.113 -7.94287 52.9019 -15.6624 187.926 279.313 PRESSAVG: 3328600 -31.2804 -65.8902 50.7511 -65.8903 -7.86903 40.0462 50.7511 40.0462 5.39667 GPRESSAVG: 3328600 -30.4531 -64.4301 51.0957 -67.4593 -8.42763 41.5973 50.158 40.5863 5.2647 TIMING: 3328600 CPU: 10400.3, 0.00312037/step Wall: 10400.3, 0.00312037/step, 1.44872 hours remaining, 235.929688 MB of memory in use. ENERGY: 3328600 3926.5047 20546.2888 14406.3208 241.9542 -203086.4029 2568.5791 0.0000 0.0000 51750.6280 -109646.1274 297.4116 -161396.7554 -109287.0518 298.1505 51.0832 77.0874 763778.7539 -11.2509 -11.2054 PRESSURE: 3328800 -78.156 56.1353 -147.69 56.1357 239.657 -160.452 -147.689 -160.453 -99.2106 GPRESSURE: 3328800 10.3202 44.343 -94.6812 36.4535 197.673 -204.629 -110.338 -50.3723 -59.816 PRESSAVG: 3328800 17.3747 -42.3861 -15.4727 -42.3861 -12.1714 0.370083 -15.4726 0.370127 1.15721 GPRESSAVG: 3328800 17.402 -43.8693 -16.0699 -40.1671 -13.4054 -0.579033 -15.1927 1.62802 1.83935 TIMING: 3328800 CPU: 10400.9, 0.00311605/step Wall: 10400.9, 0.00311605/step, 1.44654 hours remaining, 235.929688 MB of memory in use. ENERGY: 3328800 3955.2979 20372.9281 14345.1469 255.0250 -203261.0148 2809.4675 0.0000 0.0000 51945.5674 -109577.5820 298.5319 -161523.1494 -109199.9769 297.9732 20.7633 49.3924 761916.3485 2.1202 1.9453 PRESSURE: 3329000 -41.865 99.7398 34.499 99.7406 -437.317 100.457 34.4983 100.457 -237.313 GPRESSURE: 3329000 -8.95592 34.0397 91.6054 8.85748 -348.388 92.9813 -50.9026 107.566 -264.068 PRESSAVG: 3329000 -25.2192 1.36968 37.0794 1.36969 14.4554 9.90222 37.0794 9.90222 3.51697 GPRESSAVG: 3329000 -25.3203 3.084 37.8776 -1.83527 15.4479 10.0208 39.2229 10.1395 2.93577 TIMING: 3329000 CPU: 10401.5, 0.0031056/step Wall: 10401.5, 0.0031056/step, 1.44152 hours remaining, 235.992188 MB of memory in use. ENERGY: 3329000 3883.5645 20479.9440 14400.4242 217.2250 -203304.1833 2622.3598 0.0000 0.0000 51969.5024 -109731.1634 298.6694 -161700.6658 -109354.5166 298.5895 -238.8317 -207.1371 762525.9753 -2.4156 -2.3122 PRESSURE: 3329200 -163.603 46.9949 -162.075 46.9946 -218.33 29.1656 -162.073 29.1648 -319.439 GPRESSURE: 3329200 -158.986 -46.6626 -118.954 51.2747 -158.205 48.4035 -148.89 100.981 -306.342 PRESSAVG: 3329200 13.9212 -19.9169 -50.75 -19.9169 -14.742 -8.12358 -50.75 -8.12353 -0.122496 GPRESSAVG: 3329200 13.1437 -20.6189 -49.8484 -18.6119 -13.667 -7.75303 -52.4313 -7.98038 -0.249577 TIMING: 3329200 CPU: 10402.1, 0.00312664/step Wall: 10402.1, 0.00312664/step, 1.45111 hours remaining, 235.992188 MB of memory in use. ENERGY: 3329200 4022.4488 20287.6968 14401.8528 246.2234 -202960.9630 2352.0163 0.0000 0.0000 52000.6810 -109650.0440 298.8486 -161650.7250 -109285.0892 298.2400 -233.7908 -207.8441 761953.7394 -0.3144 -0.2576 PRESSURE: 3329400 82.5236 -31.0516 -121.344 -31.0523 -524.845 146.468 -121.344 146.467 20.8847 GPRESSURE: 3329400 88.4001 -12.3302 -225.191 -51.3147 -500.918 46.2995 -52.2704 47.4393 77.3634 PRESSAVG: 3329400 42.199 -26.5848 -35.7643 -26.5849 -26.3981 -22.0234 -35.7643 -22.0234 29.0775 GPRESSAVG: 3329400 42.2962 -25.5017 -38.5136 -26.1064 -26.9916 -21.0071 -35.0566 -24.7909 28.9161 TIMING: 3329400 CPU: 10402.8, 0.00312604/step Wall: 10402.8, 0.00312604/step, 1.45066 hours remaining, 235.992188 MB of memory in use. ENERGY: 3329400 3971.6937 20528.3147 14420.3663 262.7399 -203360.8449 2775.3160 0.0000 0.0000 51804.9577 -109597.4566 297.7238 -161402.4143 -109243.6240 298.4516 -140.4789 -111.7180 761208.0229 14.9595 14.7403 PRESSURE: 3329600 29.2648 -80.8044 -63.3375 -80.8049 -178.719 153.271 -63.3378 153.271 0.39583 GPRESSURE: 3329600 -3.71456 -159.647 -54.2069 88.0037 -135.814 145.022 8.96805 154.611 83.1328 PRESSAVG: 3329600 71.9005 -40.6144 -25.5819 -40.6144 -18.3525 34.2304 -25.5819 34.2305 7.2075 GPRESSAVG: 3329600 71.8792 -41.45 -25.0706 -40.2027 -18.3424 33.9417 -23.1254 37.2457 6.76383 TIMING: 3329600 CPU: 10403.4, 0.00310455/step Wall: 10403.4, 0.00310455/step, 1.44051 hours remaining, 235.992188 MB of memory in use. ENERGY: 3329600 3986.3841 20474.2812 14355.1976 214.0544 -203203.3670 2479.7328 0.0000 0.0000 52138.5284 -109555.1886 299.6408 -161693.7169 -109193.7980 298.8988 -49.6862 -18.7986 761012.9516 20.2518 20.1002 PRESSURE: 3329800 305.767 -204.045 23.3233 -204.045 419.502 -256.128 23.323 -256.128 -120.454 GPRESSURE: 3329800 305.055 -26.8013 57.7103 -264.43 454.857 -252.486 38.0607 -127.375 -63.6892 PRESSAVG: 3329800 -65.0872 -29.8055 -96.4113 -29.8056 79.8266 -8.88618 -96.4113 -8.88617 20.4286 GPRESSAVG: 3329800 -64.1293 -28.6421 -97.2503 -30.6684 78.9587 -8.6859 -99.0791 -10.1572 20.014 TIMING: 3329800 CPU: 10404, 0.00312222/step Wall: 10404, 0.00312222/step, 1.44854 hours remaining, 235.992188 MB of memory in use. ENERGY: 3329800 3913.2981 20449.8465 14419.3429 256.2676 -203299.0757 2733.9978 0.0000 0.0000 51932.3696 -109593.9532 298.4560 -161526.3228 -109229.2267 299.2072 201.6051 232.0741 762273.9971 11.7226 11.6144 PRESSURE: 3330000 15.184 111.636 -99.0225 111.634 -47.5328 -57.0578 -99.0228 -57.058 292.731 GPRESSURE: 3330000 74.3299 34.4952 -181.74 103.297 41.8962 -92.9821 -64.0062 -97.8729 232.448 PRESSAVG: 3330000 -56.5612 -12.4425 -10.2537 -12.4425 30.8424 -1.58486 -10.2536 -1.58488 -12.0243 GPRESSAVG: 3330000 -56.5495 -13.527 -7.949 -12.5578 30.8504 -0.977047 -10.8891 -1.10755 -11.903 TIMING: 3330000 CPU: 10404.6, 0.00310467/step Wall: 10404.6, 0.00310467/step, 1.44022 hours remaining, 235.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3330000 4035.2634 20494.8900 14300.8553 236.5594 -203391.2016 2881.9737 0.0000 0.0000 52014.5904 -109427.0695 298.9286 -161441.6599 -109069.5482 298.8766 86.7940 116.2248 762455.8737 -12.5810 -12.5340 PRESSURE: 3330200 21.1635 10.1519 -251.134 10.152 103.124 -109.013 -251.133 -109.014 -153.232 GPRESSURE: 3330200 127.547 81.6488 -206.227 34.0195 40.5979 -88.2436 -294.392 -174.573 -121.977 PRESSAVG: 3330200 5.23264 25.4014 -45.4841 25.4014 -7.12622 -58.5202 -45.4841 -58.5202 -2.08894 GPRESSAVG: 3330200 5.37763 23.8793 -44.8838 26.8716 -7.56504 -58.8754 -44.9599 -58.3845 -1.54397 TIMING: 3330200 CPU: 10405.3, 0.00310233/step Wall: 10405.3, 0.00310233/step, 1.43897 hours remaining, 235.992188 MB of memory in use. ENERGY: 3330200 3927.7011 20575.2380 14374.9408 251.4868 -203287.0693 2796.0169 0.0000 0.0000 52032.5247 -109329.1610 299.0316 -161361.6857 -108973.2904 299.4255 -9.6484 15.3892 763801.0205 -1.3275 -1.2438 PRESSURE: 3330400 115.035 186.683 -121.846 186.683 -177.501 -371.724 -121.846 -371.724 163.276 GPRESSURE: 3330400 92.1537 80.2384 -94.2758 179.735 -79.4103 -366.728 -157.715 -274.54 150.145 PRESSAVG: 3330400 -3.44845 -11.5539 -89.1639 -11.5539 8.85404 -45.8818 -89.1639 -45.8818 -19.2376 GPRESSAVG: 3330400 -3.98367 -8.2652 -90.1031 -13.4499 9.55076 -48.0777 -88.1461 -45.3751 -19.3771 TIMING: 3330400 CPU: 10405.9, 0.00310144/step Wall: 10405.9, 0.00310144/step, 1.43838 hours remaining, 235.992188 MB of memory in use. ENERGY: 3330400 4091.9662 20480.5112 14312.0761 248.7614 -203370.4430 2844.3369 0.0000 0.0000 52142.9126 -109249.8786 299.6660 -161392.7912 -108885.4902 299.0315 33.6036 54.2963 762484.1115 -4.6107 -4.6033 PRESSURE: 3330600 -178.328 3.5747 -106.106 3.57434 136.069 56.4478 -106.107 56.4475 -403.329 GPRESSURE: 3330600 -204.99 77.6012 -119.212 -6.28865 212.935 -95.1298 -93.9774 -1.72628 -366.213 PRESSAVG: 3330600 26.513 -20.8205 4.8094 -20.8205 -12.2746 -21.2922 4.80942 -21.2922 3.8749 GPRESSAVG: 3330600 26.0793 -22.6733 5.71698 -19.4384 -11.9404 -19.9435 5.23688 -20.369 3.64246 TIMING: 3330600 CPU: 10406.5, 0.00311141/step Wall: 10406.5, 0.00311141/step, 1.44283 hours remaining, 235.992188 MB of memory in use. ENERGY: 3330600 3976.6559 20407.0096 14327.6068 268.4151 -203002.4959 2581.9147 0.0000 0.0000 52138.9393 -109301.9545 299.6432 -161440.8938 -108932.9983 299.1460 -148.5292 -119.4228 763233.3830 6.0378 5.9271 PRESSURE: 3330800 77.4313 101.531 -116.336 101.53 -52.5062 38.8897 -116.335 38.8894 211.884 GPRESSURE: 3330800 7.84817 132.338 -66.7996 51.0776 19.8169 167.81 -147.727 -6.68904 308.523 PRESSAVG: 3330800 -25.5265 -3.3106 -20.0825 -3.31064 44.3348 16.2763 -20.0825 16.2763 14.1361 GPRESSAVG: 3330800 -25.431 -3.25394 -19.7974 -4.75447 43.6007 17.836 -19.3671 13.5974 14.9284 TIMING: 3330800 CPU: 10407.1, 0.00311537/step Wall: 10407.1, 0.00311537/step, 1.44449 hours remaining, 235.992188 MB of memory in use. ENERGY: 3330800 3945.7870 20408.8508 14429.5314 242.3550 -203248.3652 2798.9569 0.0000 0.0000 52138.9669 -109283.9173 299.6434 -161422.8842 -108917.1856 299.4109 78.9365 112.0628 762934.6444 10.9815 11.0327 PRESSURE: 3331000 188.794 -83.6748 13.0738 -83.6761 189.006 163.382 13.0746 163.382 -48.0241 GPRESSURE: 3331000 183.579 -95.7846 42.5234 -179.453 214.566 182.026 15.1593 190.044 7.78791 PRESSAVG: 3331000 12.8632 10.6596 -21.4891 10.6595 23.5765 -31.5462 -21.4891 -31.5462 -4.84041 GPRESSAVG: 3331000 11.6916 9.49982 -21.5869 12.9937 24.0439 -31.0762 -24.0676 -31.5723 -4.35363 TIMING: 3331000 CPU: 10407.7, 0.00311454/step Wall: 10407.7, 0.00311454/step, 1.44393 hours remaining, 235.992188 MB of memory in use. ENERGY: 3331000 4014.0989 20465.3974 14381.9765 245.9311 -203246.6327 2640.9657 0.0000 0.0000 52223.3455 -109274.9176 300.1283 -161498.2630 -108927.1429 299.0839 109.9254 135.3113 762590.8823 10.5331 10.4606 PRESSURE: 3331200 -321.215 26.4801 33.4741 26.481 8.88153 -342.338 33.4736 -342.337 0.363031 GPRESSURE: 3331200 -226.069 49.0602 68.9057 -15.511 10.72 -326.166 29.7196 -336.179 -10.3003 PRESSAVG: 3331200 21.1516 -3.21788 27.6004 -3.21788 -57.3003 -28.4575 27.6005 -28.4575 -1.96151 GPRESSAVG: 3331200 23.2602 -4.45057 26.5435 -5.00445 -58.2124 -30.4481 29.0094 -25.2667 -3.41641 TIMING: 3331200 CPU: 10408.4, 0.00310758/step Wall: 10408.4, 0.00310756/step, 1.44053 hours remaining, 235.992188 MB of memory in use. ENERGY: 3331200 3989.1244 20327.3012 14381.4789 234.7157 -203115.0293 2699.9120 0.0000 0.0000 52006.2030 -109476.2940 298.8804 -161482.4970 -109110.3064 298.8447 -103.9901 -75.2163 763346.1802 -12.7034 -12.7895 PRESSURE: 3331400 93.7024 68.6724 -19.2885 68.6714 8.13492 -44.4986 -19.2887 -44.4994 236.976 GPRESSURE: 3331400 139.55 173.523 5.52516 -1.88917 71.8407 -162.786 -22.7088 75.4653 232.222 PRESSAVG: 3331400 -5.00791 13.9217 20.4299 13.9216 0.152148 -18.8967 20.4299 -18.8967 -19.7628 GPRESSAVG: 3331400 -5.4543 15.8541 20.3173 14.2567 0.473858 -18.4138 19.3236 -22.8422 -19.5337 TIMING: 3331400 CPU: 10409, 0.00310914/step Wall: 10409, 0.00310915/step, 1.44109 hours remaining, 235.992188 MB of memory in use. ENERGY: 3331400 3972.9360 20353.1374 14409.2756 266.9391 -203068.0644 2779.9526 0.0000 0.0000 51982.6050 -109303.2189 298.7447 -161285.8239 -108929.4925 299.0177 112.9379 147.8706 763218.4331 -8.2062 -8.1714 PRESSURE: 3331600 83.444 6.13907 105.168 6.138 127.286 191.623 105.168 191.623 -697.829 GPRESSURE: 3331600 58.1661 -57.3808 70.2093 46.8281 200.854 191.186 178.852 303.276 -645.209 PRESSAVG: 3331600 -67.6462 36.7548 -12.1649 36.7548 70.7092 -8.5422 -12.1651 -8.5422 -13.3935 GPRESSAVG: 3331600 -67.8962 36.664 -13.9137 38.7557 70.0795 -8.03441 -11.4505 -5.98393 -12.3793 TIMING: 3331600 CPU: 10409.6, 0.00311483/step Wall: 10409.6, 0.00311483/step, 1.44355 hours remaining, 235.992188 MB of memory in use. ENERGY: 3331600 4051.1842 20337.0568 14344.9874 259.7866 -203176.7125 2727.7565 0.0000 0.0000 51985.9990 -109469.9419 298.7643 -161455.9410 -109103.5048 299.1592 -162.3662 -128.7298 762634.9027 -3.4435 -3.3987 PRESSURE: 3331800 -152.212 272.847 -138.951 272.846 -88.0923 -83.4178 -138.951 -83.4175 -448.215 GPRESSURE: 3331800 -187.764 221.709 -249.524 236.631 -47.9231 -42.8408 22.3728 17.7114 -373.153 PRESSAVG: 3331800 -6.72304 -13.1264 -65.9717 -13.1265 11.4058 22.6722 -65.9718 22.6722 -7.5481 GPRESSAVG: 3331800 -5.65535 -14.5099 -64.5834 -15.7565 11.5457 23.3504 -65.9061 23.543 -8.53313 TIMING: 3331800 CPU: 10410.2, 0.00312074/step Wall: 10410.2, 0.00312074/step, 1.44611 hours remaining, 236.007812 MB of memory in use. ENERGY: 3331800 4050.4266 20512.9900 14497.1175 253.2614 -203572.1811 2834.6492 0.0000 0.0000 52138.6110 -109285.1254 299.6413 -161423.7363 -108922.7025 298.8254 -229.5065 -202.9468 760708.9837 -0.9551 -0.8809 PRESSURE: 3332000 31.4323 -4.49115 -119.037 -4.49242 -63.0318 84.1793 -119.036 84.1786 -309.394 GPRESSURE: 3332000 70.261 -35.5801 -97.8105 -90.337 -3.65313 155.841 -178.794 24.2624 -314.187 PRESSAVG: 3332000 33.7658 42.7657 -27.4352 42.7657 10.7134 -3.37801 -27.4352 -3.37793 -7.72457 GPRESSAVG: 3332000 32.8052 43.675 -27.1262 43.1977 11.1206 -4.41098 -29.8475 -5.35309 -7.02983 TIMING: 3332000 CPU: 10410.9, 0.00312212/step Wall: 10410.9, 0.00312212/step, 1.44658 hours remaining, 236.007812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3332000 3996.9235 20441.2401 14368.4925 247.3216 -202671.3608 2301.6771 0.0000 0.0000 51821.6012 -109494.1047 297.8195 -161315.7059 -109135.9093 299.0024 -113.6646 -82.5264 761898.4888 12.2516 12.2987 PRESSURE: 3332200 -210.182 270.695 -61.8525 270.694 -125.738 -105.195 -61.8526 -105.195 -143.845 GPRESSURE: 3332200 -71.1629 239.089 60.1404 284.996 -147.535 -93.8513 -42.7309 -44.2399 -166.143 PRESSAVG: 3332200 -14.0721 16.3434 47.7474 16.3433 2.1967 69.5669 47.7474 69.5669 -10.0059 GPRESSAVG: 3332200 -12.5027 14.8963 47.207 17.5522 1.35817 69.5869 49.876 69.021 -10.2741 TIMING: 3332200 CPU: 10411.5, 0.00311717/step Wall: 10411.5, 0.00311717/step, 1.44412 hours remaining, 236.007812 MB of memory in use. ENERGY: 3332200 4077.7378 20472.2809 14453.1795 242.1235 -203266.9241 2656.5164 0.0000 0.0000 52003.4336 -109361.6524 298.8644 -161365.0860 -109012.1059 299.1748 -159.9218 -128.2804 760014.0541 -7.2938 -7.1395 LDB: ============= START OF LOAD BALANCING ============== 10424 LDB: ============== END OF LOAD BALANCING =============== 10424 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10424 LDB: ============= START OF LOAD BALANCING ============== 10424.3 LDB: Largest compute 7031 load 0.027994 is 14.3% of average load 0.195214 LDB: Average compute 0.004379 is 2.2% of average load 0.195214 LDB: TIME 10424.3 LOAD: AVG 0.195214 MAX 0.213281 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.645 MB LDB: TIME 10424.3 LOAD: AVG 0.195214 MAX 0.213281 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.844 MB LDB: TIME 10424.3 LOAD: AVG 0.195214 MAX 0.213281 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.844 MB LDB: ============== END OF LOAD BALANCING =============== 10424.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10424.3 PRESSURE: 3332400 -202.947 27.0517 79.3416 27.052 -243.927 46.233 79.3419 46.2328 -459.81 GPRESSURE: 3332400 -230.845 48.1286 114.311 -103.982 -250.674 36.9938 95.9824 29.2877 -348.185 PRESSAVG: 3332400 58.1264 41.0991 4.11065 41.099 -39.5542 10.3843 4.11066 10.3843 -8.30246 GPRESSAVG: 3332400 56.5482 41.8608 3.05733 40.5015 -39.1155 11.7199 2.58408 12.7508 -7.70787 TIMING: 3332400 CPU: 10412.1, 0.00317702/step Wall: 10412.1, 0.00317702/step, 1.47167 hours remaining, 234.027344 MB of memory in use. ENERGY: 3332400 4006.6748 20325.5061 14393.6716 260.7134 -202944.4641 2494.6542 0.0000 0.0000 52006.9307 -109456.3133 298.8845 -161463.2440 -109090.9351 298.5604 -302.2280 -276.5681 761370.0564 3.4232 3.2416 PRESSURE: 3332600 31.0578 71.3796 -82.3106 71.3802 233.42 20.2908 -82.3104 20.2907 338.784 GPRESSURE: 3332600 55.5219 123.97 -8.86665 57.569 248.649 63.4919 -134.293 2.2814 405.944 PRESSAVG: 3332600 -25.6917 66.3187 84.7425 66.3186 40.8458 11.1371 84.7425 11.1371 -11.0631 GPRESSAVG: 3332600 -26.2854 66.2477 85.8728 68.2036 41.7962 10.3232 85.1925 8.32889 -11.535 TIMING: 3332600 CPU: 10412.7, 0.00311597/step Wall: 10412.7, 0.00311597/step, 1.44321 hours remaining, 234.027344 MB of memory in use. ENERGY: 3332600 3967.2817 20490.0268 14388.6921 249.0072 -203496.5762 3109.2739 0.0000 0.0000 51778.5403 -109513.7541 297.5720 -161292.2944 -109156.0491 299.1022 201.0872 236.7050 761794.9159 1.3637 1.3253 PRESSURE: 3332800 -88.1097 -232.991 -20.965 -232.991 27.6539 68.4777 -20.9646 68.4781 85.518 GPRESSURE: 3332800 9.04904 -168.096 -72.9695 -163.229 13.5669 57.3368 -21.8355 -20.3094 57.9502 PRESSAVG: 3332800 24.0171 28.2083 5.89502 28.2082 14.8905 48.2394 5.89502 48.2395 33.0301 GPRESSAVG: 3332800 25.4064 28.561 6.55069 28.0206 14.156 47.2253 5.07443 49.218 32.0625 TIMING: 3332800 CPU: 10413.4, 0.00310437/step Wall: 10413.4, 0.00310437/step, 1.43767 hours remaining, 234.027344 MB of memory in use. ENERGY: 3332800 4016.7061 20647.4693 14426.4039 255.8763 -203245.2544 2637.9577 0.0000 0.0000 51989.5876 -109271.2533 298.7849 -161260.8409 -108914.9545 298.9815 8.3540 26.8554 762675.8362 23.9792 23.8750 PRESSURE: 3333000 -255.893 -54.5703 126.493 -54.5707 209.556 50.3057 126.493 50.3071 314.586 GPRESSURE: 3333000 -173.161 57.2583 176.661 -86.8518 249.13 158.08 -76.7207 76.4496 276.492 PRESSAVG: 3333000 16.8641 13.1745 -2.29585 13.1745 -28.5645 -14.7301 -2.29584 -14.7301 2.17476 GPRESSAVG: 3333000 17.2493 12.7508 -1.67321 12.0116 -28.96 -14.4409 -1.17703 -14.815 2.53515 TIMING: 3333000 CPU: 10414, 0.00310629/step Wall: 10414, 0.00310629/step, 1.43839 hours remaining, 234.027344 MB of memory in use. ENERGY: 3333000 4004.4942 20489.7714 14420.2495 257.5673 -203639.2761 3045.3705 0.0000 0.0000 51906.4117 -109515.4117 298.3069 -161421.8233 -109154.6633 299.0329 89.4162 117.4870 762927.3192 -3.1752 -3.0585 PRESSURE: 3333200 -84.557 54.3369 200.463 54.3369 -67.6576 254.893 200.464 254.893 21.3827 GPRESSURE: 3333200 -14.0447 -29.5761 295.061 90.1434 -95.0484 275.055 293.457 206.664 60.1256 PRESSAVG: 3333200 41.6114 33.7795 32.3537 33.7796 2.23997 42.82 32.3537 42.8199 13.8547 GPRESSAVG: 3333200 40.053 35.4001 32.2748 35.6245 2.3393 43.651 33.5457 43.1566 15.4578 TIMING: 3333200 CPU: 10414.6, 0.00310348/step Wall: 10414.6, 0.00310348/step, 1.43691 hours remaining, 234.027344 MB of memory in use. ENERGY: 3333200 3925.4362 20508.2244 14403.6919 250.7993 -203443.8211 2733.6086 0.0000 0.0000 51834.4457 -109787.6151 297.8933 -161622.0608 -109432.4845 298.0488 -43.6107 -16.3225 762385.6319 19.2354 19.2834 PRESSURE: 3333400 11.5374 -34.1604 277.432 -34.161 -401.721 -11.6773 277.432 -11.6783 -445.773 GPRESSURE: 3333400 -33.2444 -116.23 274.578 -48.5178 -367.663 -61.9565 169.565 132.713 -333.377 PRESSAVG: 3333400 -41.2079 71.4716 57.1874 71.4716 51.5776 -26.1886 57.1873 -26.1886 -31.5656 GPRESSAVG: 3333400 -41.1291 68.3724 54.6536 69.9191 53.1082 -26.2009 56.6085 -28.8862 -32.1215 TIMING: 3333400 CPU: 10415.2, 0.00311485/step Wall: 10415.2, 0.00311485/step, 1.442 hours remaining, 234.027344 MB of memory in use. ENERGY: 3333400 3955.1571 20498.2904 14352.7232 254.3628 -202773.5761 2385.1750 0.0000 0.0000 51685.3811 -109642.4865 297.0366 -161327.8676 -109279.9677 298.1140 -278.6521 -244.7616 762874.7517 -7.0653 -6.7142 PRESSURE: 3333600 -102.572 -134.276 -99.9744 -134.275 -221.536 -129.147 -99.975 -129.148 296.249 GPRESSURE: 3333600 25.5328 -42.0964 -133.681 -132.261 -223.446 -62.4213 -97.977 -140.966 260.638 PRESSAVG: 3333600 29.3237 27.6273 10.9561 27.6272 -38.6227 -61.7636 10.9561 -61.7634 -4.47848 GPRESSAVG: 3333600 31.2149 29.3987 11.1696 26.9179 -40.3353 -61.4124 10.4052 -58.6265 -4.54795 TIMING: 3333600 CPU: 10415.9, 0.00311898/step Wall: 10415.9, 0.00311898/step, 1.44374 hours remaining, 234.027344 MB of memory in use. ENERGY: 3333600 3914.5089 20482.7548 14479.7044 225.3029 -203131.5750 2457.9965 0.0000 0.0000 51907.8360 -109663.4714 298.3150 -161571.3074 -109304.2746 298.1651 -9.2865 20.9083 761035.0023 -4.5925 -4.5561 PRESSURE: 3333800 220.47 30.5933 -45.371 30.5933 -83.533 -223.731 -45.3714 -223.733 49.4464 GPRESSURE: 3333800 108.141 100.271 29.7182 105.922 14.2939 -187.81 69.2449 -233.717 149.946 PRESSAVG: 3333800 40.1969 29.2348 20.8021 29.2348 -18.8107 -7.37727 20.8021 -7.37724 -17.5357 GPRESSAVG: 3333800 38.4761 31.2378 22.3607 28.7691 -17.51 -8.50097 20.7265 -7.7128 -16.8702 TIMING: 3333800 CPU: 10416.5, 0.00310873/step Wall: 10416.5, 0.00310873/step, 1.43882 hours remaining, 234.027344 MB of memory in use. ENERGY: 3333800 3892.0538 20493.9541 14342.7566 254.5497 -203635.8726 2908.5257 0.0000 0.0000 52073.4952 -109670.5376 299.2671 -161744.0327 -109297.7685 298.7684 62.1278 90.7937 760777.4959 1.2835 1.3653 PRESSURE: 3334000 -99.8003 -27.7328 29.7869 -27.7335 -122.435 -105.876 29.7873 -105.875 -388.734 GPRESSURE: 3334000 -30.8869 -85.1404 24.5227 143.666 -131.443 57.6573 43.2931 -133.461 -361.429 PRESSAVG: 3334000 -28.8175 39.3723 -27.1755 39.3722 8.62141 6.18265 -27.1755 6.18271 5.4511 GPRESSAVG: 3334000 -28.4064 36.6853 -29.5522 42.9996 9.18741 7.21914 -24.7894 4.5817 4.85668 TIMING: 3334000 CPU: 10417.1, 0.00309938/step Wall: 10417.1, 0.00309938/step, 1.43433 hours remaining, 234.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3334000 4005.2560 20308.4545 14431.4523 232.8019 -203537.9437 2774.4504 0.0000 0.0000 52031.3028 -109754.2258 299.0246 -161785.5286 -109395.1500 298.9404 -203.6564 -174.5863 762476.0898 -4.9150 -4.7875 PRESSURE: 3334200 406.62 43.6549 45.4593 43.6553 -1.62827 -13.5718 45.4594 -13.571 301.101 GPRESSURE: 3334200 388.062 27.9192 145.971 160.859 102.225 -10.1737 71.1632 -1.13387 287.507 PRESSAVG: 3334200 -8.5368 58.7524 21.2453 58.7524 24.6586 6.12442 21.2453 6.12441 -4.83004 GPRESSAVG: 3334200 -7.797 59.153 23.2851 56.6785 25.2361 3.55231 17.6867 6.82408 -5.80867 TIMING: 3334200 CPU: 10417.7, 0.00311623/step Wall: 10417.7, 0.00311623/step, 1.44195 hours remaining, 234.027344 MB of memory in use. ENERGY: 3334200 3925.5300 20376.5611 14429.4753 256.1420 -203207.5144 2675.6800 0.0000 0.0000 52073.9397 -109470.1863 299.2696 -161544.1260 -109109.6421 298.6896 235.3644 259.2649 761543.3294 3.7639 3.8768 PRESSURE: 3334400 -157.784 91.276 -115.877 91.2767 -131.099 144.388 -115.878 144.388 273.179 GPRESSURE: 3334400 -115.958 57.3104 -120.836 9.64417 -66.88 194.739 -178.477 65.8638 246.011 PRESSAVG: 3334400 26.6828 17.9845 8.29375 17.9845 -16.4344 52.3739 8.29373 52.3738 20.0835 GPRESSAVG: 3334400 25.4029 17.6719 7.68617 16.0237 -16.1596 53.0678 10.5707 54.5341 21.2882 TIMING: 3334400 CPU: 10418.3, 0.00313531/step Wall: 10418.3, 0.00313531/step, 1.4506 hours remaining, 234.027344 MB of memory in use. ENERGY: 3334400 3996.2064 20575.0990 14457.4257 241.7049 -203392.6659 2832.7680 0.0000 0.0000 52071.3724 -109218.0895 299.2549 -161289.4619 -108870.5973 299.5219 -5.2348 21.0577 762171.8769 10.1106 10.1772 PRESSURE: 3334600 58.5058 -109.337 -48.9412 -109.336 299.84 138.947 -48.9411 138.949 239.367 GPRESSURE: 3334600 179.092 -72.5875 34.1299 -120.059 262.836 143.723 -121.096 90.8771 233.983 PRESSAVG: 3334600 -23.3423 1.17882 3.21324 1.17881 6.98174 34.4992 3.21326 34.4993 -9.68753 GPRESSAVG: 3334600 -21.5598 2.32645 3.56557 1.82763 5.33253 34.4583 0.280241 33.3339 -10.1421 TIMING: 3334600 CPU: 10419, 0.00310581/step Wall: 10419, 0.00310581/step, 1.43678 hours remaining, 234.027344 MB of memory in use. ENERGY: 3334600 3996.3882 20441.5909 14488.4393 243.6542 -203014.9017 2743.6413 0.0000 0.0000 51969.9882 -109131.1996 298.6722 -161101.1878 -108768.7736 299.0692 199.2377 225.3036 762441.2486 -8.6827 -8.7898 PRESSURE: 3334800 244.983 39.889 -2.79604 39.889 228.929 -160.069 -2.79595 -160.069 28.8479 GPRESSURE: 3334800 192.81 -88.6226 45.8157 -8.49865 313.133 -265.305 -4.69103 -120.396 78.3688 PRESSAVG: 3334800 17.5713 72.8257 -14.2755 72.8257 2.76945 41.5741 -14.2756 41.5741 9.42667 GPRESSAVG: 3334800 15.9424 72.0556 -15.4979 73.3352 3.19927 40.2002 -12.0369 43.729 10.9396 TIMING: 3334800 CPU: 10419.6, 0.00312363/step Wall: 10419.6, 0.00312363/step, 1.44485 hours remaining, 234.027344 MB of memory in use. ENERGY: 3334800 3989.2687 20548.9941 14461.5020 250.5719 -202997.4279 2616.9080 0.0000 0.0000 51928.2695 -109201.9137 298.4325 -161130.1832 -108850.0132 299.3773 167.5866 194.7703 761946.2246 9.9225 10.0271 PRESSURE: 3335000 139.61 -55.5204 -59.8929 -55.5199 40.3375 183.051 -59.8926 183.052 -0.609833 GPRESSURE: 3335000 127.15 -19.0703 1.94849 4.53652 68.4779 240.881 -54.5871 67.5252 57.1355 PRESSAVG: 3335000 13.1128 11.4689 29.8192 11.4688 19.2979 31.344 29.8192 31.3439 -3.35011 GPRESSAVG: 3335000 12.152 13.7816 31.1958 10.6681 20.9781 32.5012 28.6333 29.4346 -3.49179 TIMING: 3335000 CPU: 10420.2, 0.00311859/step Wall: 10420.2, 0.00311859/step, 1.44235 hours remaining, 234.027344 MB of memory in use. ENERGY: 3335000 3942.9268 20525.7044 14384.6648 249.9288 -203051.5610 2790.8921 0.0000 0.0000 51967.5387 -109189.9055 298.6582 -161157.4442 -108829.3944 299.0564 59.7792 84.2544 762941.1412 9.6868 9.8794 PRESSURE: 3335200 -49.8485 -10.6161 85.7612 -10.6158 297.692 89.0628 85.7616 89.0621 -267.673 GPRESSURE: 3335200 -40.8817 -38.338 44.575 43.9662 257.881 143.805 48.4913 43.9121 -137.37 PRESSAVG: 3335200 0.924143 16.1061 29.6794 16.1061 57.4804 10.962 29.6795 10.9622 6.56323 GPRESSAVG: 3335200 1.58517 14.551 29.4364 16.3316 56.1337 11.3198 29.7405 13.1668 7.12528 TIMING: 3335200 CPU: 10420.8, 0.00312194/step Wall: 10420.8, 0.00312194/step, 1.44372 hours remaining, 234.027344 MB of memory in use. ENERGY: 3335200 4015.2376 20449.5047 14467.2220 246.0682 -203125.8906 3020.9737 0.0000 0.0000 51812.7950 -109114.0895 297.7688 -160926.8844 -108761.2224 299.4000 -6.6099 26.5430 762312.9047 21.6559 21.6147 PRESSURE: 3335400 -72.4393 75.774 -225.316 75.7737 399.587 -29.2468 -225.316 -29.2482 126.829 GPRESSURE: 3335400 92.2608 79.1952 -235.616 50.7914 367.96 -121.201 -98.7778 -53.9928 92.4954 PRESSAVG: 3335400 -32.123 -14.9808 23.4563 -14.9808 31.1592 24.0449 23.4563 24.0449 -15.457 GPRESSAVG: 3335400 -31.0399 -13.0786 23.2596 -13.0399 31.0713 23.0297 25.7134 23.2541 -16.841 TIMING: 3335400 CPU: 10421.5, 0.00311553/step Wall: 10421.5, 0.00311553/step, 1.44059 hours remaining, 234.027344 MB of memory in use. ENERGY: 3335400 3965.8902 20543.2682 14429.1302 261.8611 -203317.4046 2958.4626 0.0000 0.0000 51926.4765 -109232.3159 298.4222 -161158.7924 -108888.3266 298.8347 151.3255 184.2389 762295.3673 -5.4736 -5.6032 PRESSURE: 3335600 -38.9072 211.957 -112.414 211.957 -101.184 156.845 -112.414 156.846 -152.075 GPRESSURE: 3335600 -18.9915 123.73 -3.14146 142.541 -41.1047 150.572 -190.46 4.19067 -142.604 PRESSAVG: 3335600 -61.4258 9.78206 6.70511 9.78213 17.0624 28.7779 6.70507 28.778 -8.38019 GPRESSAVG: 3335600 -60.854 7.31712 5.47443 8.51642 17.1223 31.1413 4.94934 26.0477 -9.00402 TIMING: 3335600 CPU: 10422.1, 0.00311489/step Wall: 10422.1, 0.00311489/step, 1.44012 hours remaining, 234.027344 MB of memory in use. ENERGY: 3335600 3937.2778 20467.2679 14336.6533 245.3850 -202902.8927 2622.1503 0.0000 0.0000 51923.2260 -109370.9324 298.4035 -161294.1584 -109014.8355 298.9789 -97.3885 -67.5668 764764.9875 -17.5812 -17.5786 PRESSURE: 3335800 -523.576 178.649 -89.7643 178.65 -1.9941 -156.037 -89.7642 -156.037 -70.5387 GPRESSURE: 3335800 -521.134 88.8543 -141.129 131.979 102.99 -174.846 -103.04 -23.2618 -88.7874 PRESSAVG: 3335800 -15.4618 -2.16217 21.8943 -2.16216 19.1052 30.4434 21.8943 30.4434 19.6797 GPRESSAVG: 3335800 -16.6846 -1.7193 24.0091 -3.17894 19.2388 29.7928 21.9113 33.1931 20.8482 TIMING: 3335800 CPU: 10422.7, 0.0031103/step Wall: 10422.7, 0.0031103/step, 1.43782 hours remaining, 234.027344 MB of memory in use. ENERGY: 3335800 4017.7683 20402.2608 14379.2991 233.5746 -203314.9458 2602.7798 0.0000 0.0000 52175.3604 -109503.9028 299.8525 -161679.2633 -109145.8172 298.8835 -198.7031 -168.9772 762081.8993 7.7744 7.8008 PRESSURE: 3336000 -543.216 -133.037 -181.988 -133.037 -185.051 117.557 -181.988 117.556 191.938 GPRESSURE: 3336000 -469.537 -64.1013 -173.945 39.6823 -192.261 114.493 -158.407 151.557 197.366 PRESSAVG: 3336000 -7.09372 -35.676 -6.93902 -35.6759 30.6495 7.45414 -6.93902 7.45416 -16.9893 GPRESSAVG: 3336000 -6.65172 -35.1497 -6.32001 -36.4863 31.8122 7.57992 -7.08453 6.20264 -17.8809 TIMING: 3336000 CPU: 10423.3, 0.00310417/step Wall: 10423.3, 0.00310417/step, 1.43482 hours remaining, 234.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3336000 3952.6150 20528.1791 14373.0110 239.9199 -202887.9885 2415.8763 0.0000 0.0000 51954.0686 -109424.3187 298.5807 -161378.3873 -109061.8547 299.3467 -178.7763 -154.8108 762960.6683 2.1888 2.4265 PRESSURE: 3336200 38.9999 -40.6314 133.711 -40.6317 89.4371 52.0023 133.711 52.0017 23.9354 GPRESSURE: 3336200 27.056 -53.3908 81.2646 -50.2635 161.93 15.7224 59.2641 -88.858 49.1475 PRESSAVG: 3336200 16.2066 3.49465 -43.6707 3.49461 -30.819 26.5682 -43.6707 26.5682 -9.75436 GPRESSAVG: 3336200 16.2093 6.01616 -45.0015 4.15766 -31.5936 26.4415 -44.9098 25.1592 -9.66559 TIMING: 3336200 CPU: 10424, 0.00311362/step Wall: 10424, 0.00311362/step, 1.43901 hours remaining, 234.027344 MB of memory in use. ENERGY: 3336200 3994.5902 20422.9365 14458.4807 243.0025 -203362.2813 2922.3345 0.0000 0.0000 51940.7401 -109380.1967 298.5041 -161320.9368 -109025.0319 298.9432 50.7908 79.3778 763367.6637 -8.1222 -8.3500 LDB: ============= START OF LOAD BALANCING ============== 10436.4 LDB: ============== END OF LOAD BALANCING =============== 10436.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10436.4 LDB: ============= START OF LOAD BALANCING ============== 10436.7 LDB: Largest compute 6999 load 0.028129 is 14.4% of average load 0.195132 LDB: Average compute 0.004397 is 2.3% of average load 0.195132 LDB: TIME 10436.8 LOAD: AVG 0.195132 MAX 0.212784 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.68 MB LDB: TIME 10436.8 LOAD: AVG 0.195132 MAX 0.212784 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.68 MB LDB: TIME 10436.8 LOAD: AVG 0.195132 MAX 0.212784 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.68 MB LDB: ============== END OF LOAD BALANCING =============== 10436.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10436.8 PRESSURE: 3336400 90.947 63.2321 -63.4709 63.2321 -51.5988 -6.81363 -63.4729 -6.81521 -324.132 GPRESSURE: 3336400 118.579 -50.772 -55.7379 -37.0459 -95.6582 88.5144 -115.559 -139.585 -250.589 PRESSAVG: 3336400 13.3555 -4.18364 5.36972 -4.18359 -36.2328 31.8902 5.36977 31.8902 -10.2731 GPRESSAVG: 3336400 13.378 -6.25152 3.74303 -4.88789 -36.8446 31.6665 6.45649 33.7034 -10.0656 TIMING: 3336400 CPU: 10424.6, 0.00319405/step Wall: 10424.6, 0.00319405/step, 1.47601 hours remaining, 233.968750 MB of memory in use. ENERGY: 3336400 3974.0694 20587.1224 14479.4562 246.5932 -203239.7849 2601.6234 0.0000 0.0000 52096.1005 -109254.8199 299.3970 -161350.9203 -108899.1212 299.2367 -94.9279 -75.8893 762747.9813 -11.0501 -11.1774 PRESSURE: 3336600 -115.513 -69.5237 -89.3432 -69.5246 -91.0987 -44.1254 -89.3432 -44.1252 -178.995 GPRESSURE: 3336600 -99.8465 74.3835 -60.9526 34.4035 -48.7653 63.4176 -89.293 -136.205 -170.895 PRESSAVG: 3336600 -24.0924 18.9386 -18.8057 18.9385 28.0765 82.1025 -18.8058 82.1025 -12.3488 GPRESSAVG: 3336600 -24.1622 17.216 -19.0103 19.2688 28.1495 82.4172 -16.7677 83.3579 -11.7662 TIMING: 3336600 CPU: 10425.2, 0.0031074/step Wall: 10425.2, 0.0031074/step, 1.43579 hours remaining, 233.968750 MB of memory in use. ENERGY: 3336600 4052.1057 20642.6642 14497.5487 257.9789 -203529.5880 2941.9912 0.0000 0.0000 51827.0213 -109310.2781 297.8506 -161137.2994 -108957.3940 299.8579 -128.5354 -106.5022 762537.2731 -2.7882 -2.5930 PRESSURE: 3336800 -68.8779 -192.51 -269.211 -192.51 -93.9046 -209.765 -269.211 -209.764 322.741 GPRESSURE: 3336800 58.7641 -239.091 -265.353 -188.899 -126.581 -195.348 -364.3 -118.239 309.096 PRESSAVG: 3336800 -46.8491 -17.963 -45.975 -17.9631 44.4489 66.1718 -45.975 66.1718 -1.58015 GPRESSAVG: 3336800 -45.7386 -17.3876 -44.2879 -18.2745 43.9734 64.7653 -48.2076 64.9444 -2.36543 TIMING: 3336800 CPU: 10425.8, 0.0031287/step Wall: 10425.8, 0.0031287/step, 1.44546 hours remaining, 233.968750 MB of memory in use. ENERGY: 3336800 4006.1253 20514.5230 14547.6937 253.0518 -203172.9548 2653.5786 0.0000 0.0000 51851.4439 -109346.5386 297.9910 -161197.9825 -109003.4723 299.7688 53.3195 80.4264 760782.4955 -1.3268 -1.3769 PRESSURE: 3337000 218.834 188.996 -52.3938 188.996 -512.417 158.562 -52.3949 158.563 -384.74 GPRESSURE: 3337000 221.855 247.225 14.6287 220.918 -410.14 207.715 -30.1157 169.111 -409.729 PRESSAVG: 3337000 32.0635 -10.1034 -14.327 -10.1034 11.9904 25.0543 -14.327 25.0543 -11.2459 GPRESSAVG: 3337000 32.2125 -9.17341 -14.7666 -9.86868 12.1338 25.6963 -16.5377 23.655 -11.3764 TIMING: 3337000 CPU: 10426.5, 0.00310501/step Wall: 10426.5, 0.00310501/step, 1.43434 hours remaining, 233.968750 MB of memory in use. ENERGY: 3337000 4018.4379 20516.2323 14481.0563 239.1146 -203312.5448 2462.1237 0.0000 0.0000 52229.8072 -109365.7728 300.1654 -161595.5800 -109004.8945 299.4319 -226.1075 -199.3381 761620.2134 10.9360 10.9900 PRESSURE: 3337200 92.4502 125.053 35.238 125.053 -358.095 30.6932 35.2376 30.6934 -287.147 GPRESSURE: 3337200 142.544 166.89 4.91165 114.032 -270.644 5.42042 8.07278 118.791 -331.944 PRESSAVG: 3337200 18.861 -15.4936 -36.2437 -15.4936 -52.8821 29.5443 -36.2438 29.5443 -3.35058 GPRESSAVG: 3337200 18.5077 -17.1154 -34.5432 -14.6177 -53.0384 31.0934 -37.3556 28.3919 -3.0631 TIMING: 3337200 CPU: 10427.1, 0.00311234/step Wall: 10427.1, 0.00311234/step, 1.43756 hours remaining, 233.968750 MB of memory in use. ENERGY: 3337200 4050.5120 20526.4474 14416.9757 256.7478 -203306.6166 2689.4338 0.0000 0.0000 51993.6787 -109372.8211 298.8084 -161366.4998 -109011.8325 298.9644 -184.2638 -153.3480 762241.2256 -12.4572 -12.5313 PRESSURE: 3337400 269.58 -14.9408 -32.8231 -14.9412 -241.445 49.3265 -32.8237 49.3263 -190.312 GPRESSURE: 3337400 235.838 -78.6751 69.8787 -28.5266 -161.069 -9.66008 -26.6326 -9.56267 -168.051 PRESSAVG: 3337400 32.5482 8.93598 -26.0024 8.93597 -26.2928 87.2343 -26.0024 87.2342 -2.74137 GPRESSAVG: 3337400 31.2304 11.3564 -28.6869 7.48665 -25.6327 85.9553 -21.8341 88.9041 -2.51856 TIMING: 3337400 CPU: 10427.7, 0.00310031/step Wall: 10427.7, 0.00310031/step, 1.43183 hours remaining, 233.968750 MB of memory in use. ENERGY: 3337400 3994.4768 20384.3016 14499.8355 244.3704 -203601.4669 2992.2936 0.0000 0.0000 52229.4663 -109256.7226 300.1635 -161486.1889 -108895.7551 299.5741 -54.0588 -31.0942 761091.7343 1.1713 1.0264 PRESSURE: 3337600 -258.283 -20.6647 -84.3991 -20.6645 291.438 -11.4906 -84.3984 -11.4911 141.612 GPRESSURE: 3337600 -220.771 -11.4048 -115.941 2.3852 338.124 31.0905 -119.385 -65.0618 140.993 PRESSAVG: 3337600 -8.90356 59.0646 -43.9138 59.0645 41.2051 0.113647 -43.9138 0.113576 17.8202 GPRESSAVG: 3337600 -7.67755 58.9869 -45.0185 57.8204 41.4997 -0.815366 -45.1519 0.0496538 16.4542 TIMING: 3337600 CPU: 10428.3, 0.00309761/step Wall: 10428.3, 0.0030976/step, 1.43041 hours remaining, 233.968750 MB of memory in use. ENERGY: 3337600 3958.1741 20390.2443 14517.5480 260.9610 -203650.9158 2780.8610 0.0000 0.0000 52349.2743 -109393.8530 300.8520 -161743.1273 -109032.9547 299.2760 58.2558 86.1155 760995.9753 16.7072 16.7588 PRESSURE: 3337800 -141.579 165.332 98.7967 165.331 -264.373 -21.9551 98.797 -21.9551 -415.659 GPRESSURE: 3337800 -64.5528 114.241 11.1458 147.897 -249.032 48.5291 -8.02288 -63.1148 -432.986 PRESSAVG: 3337800 -17.154 -24.5996 -7.59194 -24.5997 27.2592 22.5785 -7.59187 22.5786 -1.65101 GPRESSAVG: 3337800 -16.9815 -25.7534 -5.27449 -22.925 25.1969 22.4479 -11.0898 23.8847 -0.188551 TIMING: 3337800 CPU: 10428.9, 0.00309738/step Wall: 10428.9, 0.00309738/step, 1.43013 hours remaining, 233.968750 MB of memory in use. ENERGY: 3337800 3979.2607 20466.0017 14509.7844 262.3723 -202982.0251 2217.3478 0.0000 0.0000 52129.1274 -109418.1309 299.5868 -161547.2583 -109050.6312 298.9476 -273.8702 -248.8567 762254.3134 2.8181 2.6756 PRESSURE: 3338000 -20.3806 16.1836 62.4811 16.1836 -240.624 -22.5939 62.4815 -22.5928 -13.1911 GPRESSURE: 3338000 42.7823 10.8942 -15.3869 58.7218 -160.934 15.2646 88.8346 13.0019 -76.6684 PRESSAVG: 3338000 39.7555 -21.0871 -78.2068 -21.0871 -8.77272 52.454 -78.2068 52.4542 26.4855 GPRESSAVG: 3338000 38.7929 -20.4909 -78.6234 -20.9003 -8.25004 53.5875 -75.3054 52.3777 26.0531 TIMING: 3338000 CPU: 10429.6, 0.00311266/step Wall: 10429.6, 0.00311266/step, 1.43701 hours remaining, 233.968750 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: 3338000 3990.5426 20368.2218 14402.8598 238.7454 -203193.7982 2512.5275 0.0000 0.0000 52111.1302 -109569.7710 299.4834 -161680.9012 -109203.8491 298.7194 -91.3987 -64.9402 759281.5330 19.1561 18.8653 PRESSURE: 3338200 -74.0471 -33.5476 -401.249 -33.5476 130.165 -250.685 -401.248 -250.685 53.988 GPRESSURE: 3338200 -67.6443 -16.3493 -326.933 -10.9112 163.13 -192.499 -476.488 -219.362 107.863 PRESSAVG: 3338200 3.68646 37.9919 -42.1587 37.9919 3.70435 31.1314 -42.1587 31.1315 23.085 GPRESSAVG: 3338200 4.25348 35.7867 -41.1172 38.2085 2.72643 31.0837 -42.236 29.3132 23.888 TIMING: 3338200 CPU: 10430.2, 0.00311584/step Wall: 10430.2, 0.00311584/step, 1.43831 hours remaining, 233.968750 MB of memory in use. ENERGY: 3338200 4007.1327 20295.8531 14476.1153 266.2719 -203520.0241 2971.6377 0.0000 0.0000 52083.4514 -109419.5620 299.3243 -161503.0134 -109048.5529 298.5991 36.7019 67.7829 760838.0086 10.1586 10.2893 PRESSURE: 3338400 138.565 -107.855 -324.783 -107.855 13.5519 -120.133 -324.783 -120.133 230.558 GPRESSURE: 3338400 160.401 -84.5411 -344.922 -64.1287 74.8133 -179.645 -293.335 -100.624 242.368 PRESSAVG: 3338400 23.8189 32.9769 -39.5886 32.9769 -6.03951 16.7183 -39.5886 16.7183 -18.6081 GPRESSAVG: 3338400 22.2447 33.6727 -41.4837 34.1729 -5.66257 17.6222 -37.7791 16.2986 -17.2319 TIMING: 3338400 CPU: 10430.8, 0.00311907/step Wall: 10430.8, 0.00311907/step, 1.43962 hours remaining, 233.968750 MB of memory in use. ENERGY: 3338400 3939.4468 20495.9884 14463.4615 248.1605 -203639.1842 3058.0061 0.0000 0.0000 52034.6258 -109399.4951 299.0437 -161434.1208 -109039.0411 298.9405 127.5581 159.1941 761663.7400 -0.2762 -0.2166 PRESSURE: 3338600 137.63 -82.057 16.3226 -82.0565 145.395 169.227 16.3214 169.226 -70.7034 GPRESSURE: 3338600 178.152 70.5701 63.2348 -38.8934 225.66 154.675 -7.47467 106.04 -105.121 PRESSAVG: 3338600 -3.44786 -16.8297 -8.3468 -16.8297 -4.11704 10.6504 -8.34679 10.6503 5.09577 GPRESSAVG: 3338600 -2.50924 -16.2641 -7.38979 -17.6242 -3.27592 10.1703 -8.32891 12.2708 3.63354 TIMING: 3338600 CPU: 10431.4, 0.00312277/step Wall: 10431.4, 0.00312277/step, 1.44116 hours remaining, 233.968750 MB of memory in use. ENERGY: 3338600 3962.7588 20367.2944 14375.4163 239.0937 -203118.1053 2669.1625 0.0000 0.0000 52016.9053 -109487.4744 298.9419 -161504.3797 -109120.2211 298.3652 70.7737 99.5635 762385.6554 -0.8230 -0.7172 PRESSURE: 3338800 115.201 -100.557 87.806 -100.558 97.1072 140.564 87.8072 140.562 -306.147 GPRESSURE: 3338800 129.405 -128.188 -6.37083 -131.808 138.584 74.478 90.0485 242.742 -267.927 PRESSAVG: 3338800 4.58565 6.55902 -3.06607 6.55895 -11.4824 -23.0535 -3.06601 -23.0535 13.9809 GPRESSAVG: 3338800 4.87728 6.63121 -2.84917 6.5761 -11.6951 -24.2986 -5.19221 -22.4366 14.1434 TIMING: 3338800 CPU: 10432.1, 0.00312132/step Wall: 10432.1, 0.00312132/step, 1.44032 hours remaining, 233.968750 MB of memory in use. ENERGY: 3338800 4015.3172 20503.1356 14470.2785 244.0136 -203298.4049 2471.0706 0.0000 0.0000 51989.3291 -109605.2603 298.7834 -161594.5894 -109247.3477 298.6831 -31.2795 0.0206 760006.4197 2.3614 2.4419 PRESSURE: 3339000 -23.0456 39.9663 -67.7237 39.9654 8.79229 41.6115 -67.7241 41.6108 -141.386 GPRESSURE: 3339000 -8.09902 125.391 -137.097 -1.63477 1.88828 154.797 55.9918 93.2738 -85.3126 PRESSAVG: 3339000 -12.5703 1.58336 -27.2547 1.5834 -4.95054 6.18715 -27.2547 6.1872 -0.157607 GPRESSAVG: 3339000 -13.6221 0.841888 -27.7017 1.56447 -4.80234 7.14256 -25.7637 5.53285 0.177065 TIMING: 3339000 CPU: 10432.7, 0.00311673/step Wall: 10432.7, 0.00311673/step, 1.43802 hours remaining, 233.968750 MB of memory in use. ENERGY: 3339000 4015.9018 20359.3048 14494.8733 251.1578 -203401.5865 2659.9373 0.0000 0.0000 51921.5702 -109698.8414 298.3940 -161620.4116 -109337.3435 298.1554 -51.8798 -30.5078 759125.3943 -5.8928 -6.0825 PRESSURE: 3339200 105 -8.96495 -93.6722 -8.96417 -127.393 137.1 -93.673 137.1 212.699 GPRESSURE: 3339200 265.245 -129.845 -123.216 195.333 -64.9078 102.574 -3.33813 6.09623 84.526 PRESSAVG: 3339200 -14.8689 -15.5572 -3.40379 -15.5572 23.29 -4.08718 -3.40382 -4.08717 22.6376 GPRESSAVG: 3339200 -14.2182 -15.082 -4.18511 -16.9737 23.4843 -3.88285 -4.23352 -4.59327 21.8413 TIMING: 3339200 CPU: 10433.3, 0.00311316/step Wall: 10433.3, 0.00311316/step, 1.4362 hours remaining, 233.968750 MB of memory in use. ENERGY: 3339200 3998.1128 20494.1751 14491.0359 244.4398 -203569.3331 2844.7468 0.0000 0.0000 51837.9701 -109658.8526 297.9135 -161496.8227 -109291.5073 298.2395 63.4352 94.9545 761096.1915 10.3529 10.3691 PRESSURE: 3339400 -130.676 -134.585 24.9206 -134.585 -472.338 89.8449 24.9208 89.8442 -538.874 GPRESSURE: 3339400 -136.169 -151.003 -91.7218 -123.838 -402.507 -18.5077 -35.9499 102.572 -516.706 PRESSAVG: 3339400 15.5244 -32.4069 -49.6001 -32.4069 22.4611 4.69676 -49.6001 4.69679 2.44528 GPRESSAVG: 3339400 15.2033 -30.5425 -49.08 -30.5844 21.8112 3.09588 -51.6361 5.28395 3.54524 TIMING: 3339400 CPU: 10433.9, 0.0031092/step Wall: 10433.9, 0.0031092/step, 1.4342 hours remaining, 233.968750 MB of memory in use. ENERGY: 3339400 4006.5197 20493.2592 14390.5405 229.8028 -203466.3688 2677.1500 0.0000 0.0000 51957.1173 -109711.9792 298.5983 -161669.0964 -109353.6787 298.1929 -380.6295 -351.7940 762419.7700 13.4769 13.5199 PRESSURE: 3339600 -379.869 48.8212 181.856 48.82 -266.981 117.997 181.856 117.998 -232.112 GPRESSURE: 3339600 -367.345 -69.2027 184.539 9.29027 -223.63 165.05 146.901 -3.26002 -201.926 PRESSAVG: 3339600 9.24238 -16.3756 0.476018 -16.3756 8.97809 27.7956 0.475992 27.7955 0.813515 GPRESSAVG: 3339600 10.5738 -19.8874 -0.557663 -17.7638 8.27846 31.343 3.24734 24.9753 0.396103 TIMING: 3339600 CPU: 10434.6, 0.00313299/step Wall: 10434.6, 0.00313299/step, 1.445 hours remaining, 233.968750 MB of memory in use. ENERGY: 3339600 3995.2271 20467.8578 14440.3529 238.2405 -203122.8612 2439.6138 0.0000 0.0000 51983.4264 -109558.1427 298.7495 -161541.5691 -109195.6549 298.2386 -292.9874 -264.3004 762557.9702 6.3447 6.4161 PRESSURE: 3339800 162.055 -41.0982 185.842 -41.0987 95.989 -104.49 185.842 -104.49 238.236 GPRESSURE: 3339800 141.75 -14.3261 67.2456 -0.9046 152.268 -118.294 44.0507 -33.9187 286.482 PRESSAVG: 3339800 46.5 25.4914 24.1806 25.4914 -61.0103 14.1809 24.1806 14.1809 2.58288 GPRESSAVG: 3339800 45.8095 26.5012 23.5655 26.7469 -60.0668 12.1099 24.147 16.1652 1.48821 TIMING: 3339800 CPU: 10435.2, 0.0031203/step Wall: 10435.2, 0.0031203/step, 1.43898 hours remaining, 233.968750 MB of memory in use. ENERGY: 3339800 3999.1705 20574.9514 14361.5744 251.4881 -204039.3199 3126.3857 0.0000 0.0000 52091.4899 -109634.2599 299.3705 -161725.7498 -109265.3324 298.6073 165.4265 193.4998 761963.8983 -3.9758 -4.2564 PRESSURE: 3340000 267.516 -46.373 -77.2106 -46.3727 19.7075 -71.39 -77.2106 -71.3903 97.062 GPRESSURE: 3340000 283.437 -86.7135 -62.605 -43.761 33.0163 -73.5344 -61.8644 52.4103 146.571 PRESSAVG: 3340000 21.541 -0.922863 6.69444 -0.92289 -5.66114 -9.72138 6.69442 -9.72143 22.626 GPRESSAVG: 3340000 21.2006 -1.33258 6.37422 -0.620105 -5.44333 -7.99911 5.31668 -10.5409 22.6318 TIMING: 3340000 CPU: 10435.8, 0.00313218/step Wall: 10435.8, 0.00313218/step, 1.44428 hours remaining, 233.968750 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: 3340000 4019.5718 20555.6550 14463.2507 239.8296 -203669.2193 3001.3036 0.0000 0.0000 51712.0526 -109677.5560 297.1899 -161389.6086 -109326.2789 298.6201 128.0953 154.3415 761594.1721 12.8353 12.7964 PRESSURE: 3340200 108.738 -106.452 -111.683 -106.452 267.096 70.2413 -111.683 70.2411 566.761 GPRESSURE: 3340200 157.753 -93.0487 -122.075 -17.576 345.164 63.03 -124.593 110.338 508.927 PRESSAVG: 3340200 -36.3377 -77.7314 27.9643 -77.7314 43.9744 -12.667 27.9644 -12.6669 -6.02956 GPRESSAVG: 3340200 -36.5566 -78.2013 27.9232 -76.8884 43.0285 -14.7963 30.4304 -10.4078 -5.02473 TIMING: 3340200 CPU: 10436.4, 0.00310776/step Wall: 10436.4, 0.00310776/step, 1.43285 hours remaining, 233.968750 MB of memory in use. ENERGY: 3340200 3939.4833 20429.9076 14466.8366 246.3540 -203809.3231 3080.6487 0.0000 0.0000 51962.5996 -109683.4932 298.6298 -161646.0928 -109315.6004 298.6551 314.1985 337.2812 761652.7121 0.5357 0.4824 LDB: ============= START OF LOAD BALANCING ============== 10448.9 LDB: ============== END OF LOAD BALANCING =============== 10448.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10448.9 LDB: ============= START OF LOAD BALANCING ============== 10449.2 LDB: Largest compute 7007 load 0.028365 is 14.5% of average load 0.195183 LDB: Average compute 0.004382 is 2.2% of average load 0.195183 LDB: TIME 10449.2 LOAD: AVG 0.195183 MAX 0.213957 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.168 MB LDB: TIME 10449.2 LOAD: AVG 0.195183 MAX 0.213957 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.168 MB LDB: TIME 10449.2 LOAD: AVG 0.195183 MAX 0.213957 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.168 MB LDB: ============== END OF LOAD BALANCING =============== 10449.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10449.2 PRESSURE: 3340400 -361.839 105.476 84.1204 105.475 -50.6615 98.6425 84.1197 98.6426 2.59493 GPRESSURE: 3340400 -348.92 91.012 -20.094 39.9679 -33.1352 42.5595 175.09 95.7724 52.3399 PRESSAVG: 3340400 -15.5053 -15.5481 31.3015 -15.5481 50.8396 -19.695 31.3015 -19.695 5.7424 GPRESSAVG: 3340400 -15.5299 -15.506 33.1899 -16.1136 51.5014 -19.2351 31.3644 -19.6175 5.58036 TIMING: 3340400 CPU: 10437.1, 0.00317532/step Wall: 10437.1, 0.00317532/step, 1.46382 hours remaining, 234.437500 MB of memory in use. ENERGY: 3340400 4039.7704 20523.0520 14417.4548 248.5052 -203555.3090 2792.1479 0.0000 0.0000 51751.5652 -109782.8133 297.4170 -161534.3786 -109423.3551 298.3874 -136.6351 -109.9052 761434.6709 13.6923 13.8506 PRESSURE: 3340600 -194.104 37.9401 359.957 37.9403 -248.781 -81.4653 359.956 -81.4654 -190.826 GPRESSURE: 3340600 -117.587 201.382 305.791 23.0299 -264.167 -96.2313 254.718 41.2134 -160.561 PRESSAVG: 3340600 -18.6953 29.2289 58.2488 29.2289 53.9512 -12.7828 58.2489 -12.7827 -15.696 GPRESSAVG: 3340600 -17.5774 30.253 57.3538 29.0441 53.6665 -13.2405 56.4977 -12.7826 -15.9268 TIMING: 3340600 CPU: 10437.7, 0.00313173/step Wall: 10437.7, 0.00313173/step, 1.44356 hours remaining, 234.640625 MB of memory in use. ENERGY: 3340600 3939.9454 20624.3288 14479.5209 245.5649 -203701.7433 2766.1325 0.0000 0.0000 51764.0415 -109882.2092 297.4887 -161646.2508 -109516.8397 297.9807 -211.2370 -180.7715 761644.9601 6.5200 6.7208 PRESSURE: 3340800 154.42 -8.52772 168.654 -8.52716 346.908 40.0733 168.655 40.0741 196.971 GPRESSURE: 3340800 211.798 -62.9069 176.523 -52.677 378.852 26.117 97.7971 96.2074 193.143 PRESSAVG: 3340800 27.4935 19.3726 51.2308 19.3726 35.5411 1.00993 51.2308 1.00994 -9.51827 GPRESSAVG: 3340800 27.5837 18.645 52.6302 19.1007 36.2898 1.4133 51.85 1.13907 -10.1849 TIMING: 3340800 CPU: 10438.3, 0.00311075/step Wall: 10438.3, 0.00311075/step, 1.43371 hours remaining, 234.640625 MB of memory in use. ENERGY: 3340800 3937.9954 20461.9459 14531.1709 256.6161 -204113.0766 3185.2723 0.0000 0.0000 51863.1631 -109876.9129 298.0583 -161740.0760 -109504.9511 297.6662 232.7664 261.2645 761609.5550 17.8388 17.8962 PRESSURE: 3341000 80.9564 18.525 -135.351 18.5254 -19.7421 -52.3812 -135.352 -52.3816 120.059 GPRESSURE: 3341000 87.3152 45.3537 -139.449 24.5617 16.3157 -65.998 -211.196 39.482 155.42 PRESSAVG: 3341000 41.3325 5.886 21.9636 5.88601 -11.4774 4.14093 21.9636 4.14086 29.8236 GPRESSAVG: 3341000 40.6909 6.05327 21.1244 7.4148 -11.0957 4.56045 21.2157 2.69424 30.2912 TIMING: 3341000 CPU: 10438.9, 0.00311259/step Wall: 10438.9, 0.00311259/step, 1.43438 hours remaining, 234.640625 MB of memory in use. ENERGY: 3341000 4014.5683 20375.9083 14421.5263 248.0232 -204037.7282 2973.3323 0.0000 0.0000 52086.8217 -109917.5481 299.3437 -162004.3698 -109567.2661 298.1282 60.4244 86.3505 761527.7866 19.8929 19.9621 PRESSURE: 3341200 -212.191 -31.8173 218.942 -31.8179 -60.4309 -145.475 218.942 -145.474 65.6426 GPRESSURE: 3341200 -156.011 -52.4589 195.747 -113.947 -12.9099 -170.761 78.7498 -76.9422 12.6353 PRESSAVG: 3341200 53.7967 -45.6071 5.64224 -45.6071 -54.3651 9.74114 5.64231 9.74117 3.44866 GPRESSAVG: 3341200 52.9943 -45.47 6.09578 -45.9383 -53.9802 9.08496 5.58688 11.712 3.77361 TIMING: 3341200 CPU: 10439.6, 0.00311186/step Wall: 10439.6, 0.00311186/step, 1.43387 hours remaining, 234.640625 MB of memory in use. ENERGY: 3341200 3961.6509 20494.4635 14469.3464 249.0404 -203743.2989 3000.7346 0.0000 0.0000 51955.7520 -109612.3111 298.5904 -161568.0631 -109252.8486 298.6241 -68.9931 -52.0951 761124.2378 0.9601 0.9292 PRESSURE: 3341400 -60.6732 -69.0884 111.199 -69.0883 -1.42381 54.4897 111.198 54.4897 -235.764 GPRESSURE: 3341400 -43.0718 -136.062 82.576 65.1582 31.756 139.896 13.9489 76.3528 -188.875 PRESSAVG: 3341400 56.1936 7.76448 -14.1049 7.76449 -40.4828 41.2863 -14.105 41.2862 21.6547 GPRESSAVG: 3341400 55.7036 7.44935 -14.1448 7.64258 -41.2829 42.7234 -13.9749 40.8575 22.3768 TIMING: 3341400 CPU: 10440.2, 0.00311683/step Wall: 10440.2, 0.00311683/step, 1.43599 hours remaining, 234.640625 MB of memory in use. ENERGY: 3341400 4064.1915 20495.2032 14374.5877 250.8844 -203312.4823 2784.3378 0.0000 0.0000 51984.6506 -109358.6272 298.7565 -161343.2778 -109006.7191 299.0731 -99.2872 -66.7302 762785.4796 12.4552 12.2658 PRESSURE: 3341600 -289.324 26.1386 -197.78 26.1381 30.8822 1.26614 -197.779 1.26578 37.3029 GPRESSURE: 3341600 -284.064 32.8943 -134.274 91.2467 83.7229 -14.907 -139.147 -45.5823 85.7234 PRESSAVG: 3341600 37.7146 28.8212 0.74005 28.8211 -27.3091 -7.7949 0.740039 -7.795 -1.61455 GPRESSAVG: 3341600 38.4185 27.4382 1.0964 28.6026 -27.9065 -6.74874 2.63156 -10.6955 -1.63756 TIMING: 3341600 CPU: 10440.8, 0.00310754/step Wall: 10440.8, 0.00310755/step, 1.43154 hours remaining, 234.640625 MB of memory in use. ENERGY: 3341600 4025.9693 20465.7992 14436.7790 259.1098 -203469.7735 2757.7687 0.0000 0.0000 51866.0245 -109658.3230 298.0748 -161524.3475 -109292.7915 299.2285 -73.7131 -38.2060 761649.9893 2.9303 2.9581 PRESSURE: 3341800 118.653 340.604 -201.997 340.604 -135.486 -85.6339 -201.996 -85.6337 284.218 GPRESSURE: 3341800 197.7 160.1 -216.269 238.967 -85.7558 -36.2565 -76.3382 -47.3308 233.614 PRESSAVG: 3341800 -28.2699 45.6257 2.38276 45.6257 -60.1957 -11.0789 2.38274 -11.0788 15.0796 GPRESSAVG: 3341800 -27.8072 45.4939 2.28002 46.0733 -61.2741 -11.2377 2.02123 -11.2743 15.3701 TIMING: 3341800 CPU: 10441.4, 0.00311099/step Wall: 10441.4, 0.00311099/step, 1.43296 hours remaining, 234.640625 MB of memory in use. ENERGY: 3341800 3997.7731 20395.8896 14346.4565 251.5044 -203520.3661 2661.9752 0.0000 0.0000 52037.2383 -109829.5290 299.0587 -161866.7673 -109474.2987 298.4412 89.1286 115.1862 763002.5314 -24.4620 -24.5704 PRESSURE: 3342000 248.615 80.362 166.625 80.3616 86.8644 151.508 166.625 151.508 262.608 GPRESSURE: 3342000 352.412 -0.96576 89.9715 68.2878 73.2539 174.588 196.624 208.552 247.417 PRESSAVG: 3342000 17.3263 -25.7805 -4.80452 -25.7804 24.1914 -48.3202 -4.80448 -48.3203 1.03217 GPRESSAVG: 3342000 17.0945 -23.7645 -4.74141 -26.7206 24.037 -49.5373 -5.044 -46.746 0.612003 TIMING: 3342000 CPU: 10442, 0.00313319/step Wall: 10442, 0.00313319/step, 1.44301 hours remaining, 234.640625 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: 3342000 3994.4756 20420.5409 14449.5629 251.1347 -203669.6539 2920.0800 0.0000 0.0000 51794.2122 -109839.6476 297.6620 -161633.8598 -109486.1410 297.8696 199.3626 224.3611 761000.6900 14.1833 13.9145 PRESSURE: 3342200 -398.462 156.487 242.715 156.487 -168.756 -76.7664 242.716 -76.7668 -95.3529 GPRESSURE: 3342200 -298.156 206.184 186.769 87.819 -177.808 -85.5674 306.322 -58.4512 -109.107 PRESSAVG: 3342200 14.293 16.9743 -3.84514 16.9743 -3.61821 -61.4204 -3.8451 -61.4204 19.23 GPRESSAVG: 3342200 13.9227 17.9802 -3.67232 15.9316 -2.67487 -61.9908 -3.45455 -61.0427 18.7062 TIMING: 3342200 CPU: 10442.7, 0.00312855/step Wall: 10442.7, 0.00312855/step, 1.4407 hours remaining, 234.640625 MB of memory in use. ENERGY: 3342200 4012.7675 20585.5000 14420.0709 264.5853 -203381.3120 2520.9178 0.0000 0.0000 51890.0025 -109687.4680 298.2126 -161577.4705 -109325.7166 298.1203 -220.8570 -195.0239 761560.6930 9.9683 9.9847 PRESSURE: 3342400 -40.7009 -199.096 -94.3882 -199.096 58.7423 -9.9504 -94.3882 -9.95041 -17.2207 GPRESSURE: 3342400 -26.4692 -172.187 -107.601 -166.336 81.1113 -0.201132 -31.8955 -96.605 18.7935 PRESSAVG: 3342400 13.1033 50.8045 -34.5458 50.8046 35.7918 2.96146 -34.5458 2.96141 20.9391 GPRESSAVG: 3342400 11.9662 50.2706 -35.1249 52.8367 37.0515 3.38902 -35.4778 2.03469 20.822 TIMING: 3342400 CPU: 10443.3, 0.00312065/step Wall: 10443.3, 0.00312065/step, 1.43689 hours remaining, 234.640625 MB of memory in use. ENERGY: 3342400 3949.0602 20554.6946 14478.7329 254.7686 -203496.1196 2896.1507 0.0000 0.0000 51910.4955 -109452.2172 298.3303 -161362.7126 -109098.0250 298.8102 0.2736 24.4785 760756.5423 23.2781 23.2799 PRESSURE: 3342600 -258.868 93.2938 -167.64 93.294 -148.631 117.469 -167.641 117.47 32.0357 GPRESSURE: 3342600 -286.272 131.76 -108.182 165.664 -58.1104 67.6398 -209.83 46.0865 49.4062 PRESSAVG: 3342600 19.9224 5.45989 4.60471 5.45999 25.234 34.3436 4.60471 34.3435 2.10432 GPRESSAVG: 3342600 19.7709 4.40903 4.85962 4.63239 24.1114 33.6235 6.96523 34.5634 3.81699 TIMING: 3342600 CPU: 10443.9, 0.00312682/step Wall: 10443.9, 0.00312682/step, 1.43955 hours remaining, 234.640625 MB of memory in use. ENERGY: 3342600 3920.2186 20511.4544 14526.1096 243.5910 -202939.1342 2303.0812 0.0000 0.0000 52108.5305 -109326.1489 299.4684 -161434.6794 -108959.6404 298.9129 -125.1544 -98.3255 761395.3913 15.7536 15.8998 PRESSURE: 3342800 -109.523 8.33781 10.5783 8.33852 -123.765 8.72404 10.578 8.72398 -343.505 GPRESSURE: 3342800 -84.5119 -55.0654 -84.5618 -23.0581 -79.5002 -89.1273 56.5765 19.5036 -335.062 PRESSAVG: 3342800 -19.7373 53.7827 23.5955 53.7826 -9.807 7.96567 23.5955 7.96564 -11.3446 GPRESSAVG: 3342800 -18.7704 53.3609 23.4138 53.8951 -9.32968 8.36522 21.7228 8.39507 -13.0161 TIMING: 3342800 CPU: 10444.5, 0.00311371/step Wall: 10444.5, 0.00311371/step, 1.43334 hours remaining, 234.640625 MB of memory in use. ENERGY: 3342800 3974.3110 20483.1041 14423.7660 247.0751 -202841.5224 2317.0796 0.0000 0.0000 52051.4312 -109344.7553 299.1403 -161396.1865 -108985.3581 299.2985 -192.2646 -166.3580 762206.0438 -13.6296 -13.7054 PRESSURE: 3343000 138.667 -130.084 53.1828 -130.083 105.661 -164.176 53.183 -164.176 113.827 GPRESSURE: 3343000 193.556 -125.165 19.1207 -33.033 65.8676 -114.586 127.717 -177.032 183.843 PRESSAVG: 3343000 -5.71081 -7.87697 -22.4855 -7.87699 41.4478 16.4587 -22.4856 16.4587 19.7973 GPRESSAVG: 3343000 -5.13301 -7.03743 -23.1098 -8.95638 40.7997 16.7242 -23.4931 15.5136 19.9855 TIMING: 3343000 CPU: 10445.2, 0.00311486/step Wall: 10445.2, 0.00311486/step, 1.4337 hours remaining, 234.640625 MB of memory in use. ENERGY: 3343000 4030.8700 20473.9329 14484.9554 229.9614 -203262.2151 2597.4930 0.0000 0.0000 52270.8756 -109174.1268 300.4014 -161445.0024 -108796.1914 299.1705 119.3853 147.7555 761885.8196 18.5114 18.5507 PRESSURE: 3343200 126.238 156.263 -28.1512 156.264 43.9787 -238.262 -28.1516 -238.261 -74.8889 GPRESSURE: 3343200 180.846 156.003 25.5504 43.3462 135.866 -146.272 -70.9617 -201.864 -126.067 PRESSAVG: 3343200 58.2317 49.948 20.0447 49.9479 -26.9362 65.2482 20.0447 65.2482 -14.2041 GPRESSAVG: 3343200 57.946 50.2827 19.5076 49.4485 -26.5566 65.4446 20.9069 66.4211 -13.9069 TIMING: 3343200 CPU: 10445.8, 0.00311759/step Wall: 10445.8, 0.00311759/step, 1.43478 hours remaining, 234.640625 MB of memory in use. ENERGY: 3343200 3950.1335 20601.0558 14379.2768 236.0846 -203007.5376 2597.6400 0.0000 0.0000 52011.0111 -109232.3358 298.9080 -161243.3469 -108871.1587 299.4030 31.7759 63.5486 761142.1180 5.6972 5.8275 PRESSURE: 3343400 -201.622 37.013 -62.2795 37.0134 -106.282 -285.034 -62.2793 -285.034 51.0272 GPRESSURE: 3343400 -154.503 -37.4847 -91.0435 73.0467 -105.926 -205.767 -0.305195 -202.897 93.7036 PRESSAVG: 3343400 22.8058 34.1171 57.6658 34.1171 -6.02252 -31.2664 57.6657 -31.2665 1.85396 GPRESSAVG: 3343400 22.7055 34.4185 58.9276 35.9783 -5.92518 -30.689 57.7964 -31.0625 2.27612 TIMING: 3343400 CPU: 10446.4, 0.00311685/step Wall: 10446.4, 0.00311685/step, 1.43427 hours remaining, 234.640625 MB of memory in use. ENERGY: 3343400 3924.5090 20561.4235 14444.7729 241.3805 -203279.1352 2546.7771 0.0000 0.0000 52124.5849 -109435.6873 299.5607 -161560.2722 -109073.7906 299.4032 -85.6256 -55.5751 760717.8909 6.2124 6.3522 PRESSURE: 3343600 -224.924 55.6913 37.8047 55.6922 -477.81 147.845 37.8052 147.845 -197.674 GPRESSURE: 3343600 -187.958 177.92 -3.40529 52.4312 -398.363 175.545 -61.0581 151.402 -216.87 PRESSAVG: 3343600 6.38067 44.2442 64.4204 44.2442 9.25982 14.9962 64.4205 14.9962 7.79182 GPRESSAVG: 3343600 6.82271 41.9073 63.7288 44.9162 9.19608 15.6618 63.4641 15.2924 7.1052 TIMING: 3343600 CPU: 10447, 0.00313083/step Wall: 10447, 0.00313083/step, 1.44053 hours remaining, 234.640625 MB of memory in use. ENERGY: 3343600 4003.9632 20454.3679 14432.7029 242.8459 -203011.0264 2505.2515 0.0000 0.0000 52029.2873 -109342.6078 299.0130 -161371.8951 -108982.0634 298.8371 -300.1360 -267.7303 761835.2094 7.8108 7.7080 PRESSURE: 3343800 -73.1274 253.707 -155.563 253.707 -213.65 49.1312 -155.562 49.1305 -326.524 GPRESSURE: 3343800 -34.7958 201.283 -119.35 239.671 -135.73 103.773 15.0605 54.5929 -358.063 PRESSAVG: 3343800 50.256 33.5773 0.63082 33.5775 -20.7793 1.59378 0.630822 1.59368 7.34008 GPRESSAVG: 3343800 50.2806 32.7042 -0.112799 34.0824 -21.2741 0.799779 2.0258 3.83344 8.02731 TIMING: 3343800 CPU: 10447.7, 0.00312167/step Wall: 10447.7, 0.00312167/step, 1.43614 hours remaining, 234.640625 MB of memory in use. ENERGY: 3343800 3968.1714 20631.8820 14480.5278 253.4990 -203065.4704 2471.8569 0.0000 0.0000 51965.7181 -109293.8153 298.6477 -161259.5334 -108929.0448 298.6245 -204.4338 -176.1961 762760.0169 12.2723 12.3446 PRESSURE: 3344000 -229.485 -35.3118 47.0156 -35.3115 119.272 -94.2771 47.0155 -94.2755 -13.3103 GPRESSURE: 3344000 -198.528 -53.1241 89.5053 4.15442 92.4313 -73.9853 99.9015 -114.725 38.4858 PRESSAVG: 3344000 15.7391 46.9846 15.282 46.9846 -4.99483 -21.1327 15.282 -21.1326 19.1442 GPRESSAVG: 3344000 15.0084 47.7549 14.9533 46.2283 -4.13206 -20.8286 15.53 -23.0831 18.6134 TIMING: 3344000 CPU: 10448.3, 0.00312021/step Wall: 10448.3, 0.00312021/step, 1.4353 hours remaining, 234.640625 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: 3344000 4018.0236 20590.8927 14297.0140 284.5624 -203019.6919 2480.2557 0.0000 0.0000 52180.5450 -109168.3987 299.8823 -161348.9437 -108811.6089 299.6211 -41.1746 -22.5369 763547.2044 9.9628 9.8299 PRESSURE: 3344200 67.8619 90.8401 46.8026 90.8402 12.9436 59.0912 46.803 59.0919 -189.685 GPRESSURE: 3344200 88.3715 45.718 6.06071 236.747 57.0099 38.9411 12.7629 11.6906 -161.262 PRESSAVG: 3344200 -13.5686 13.2434 8.21562 13.2433 35.8488 50.1267 8.2156 50.1267 -19.596 GPRESSAVG: 3344200 -14.369 13.8135 8.47496 13.55 35.93 48.3588 8.26748 50.2102 -19.2162 TIMING: 3344200 CPU: 10448.9, 0.00311457/step Wall: 10448.9, 0.00311457/step, 1.43253 hours remaining, 234.640625 MB of memory in use. ENERGY: 3344200 3911.3717 20519.2796 14403.7574 250.6448 -203311.0695 2726.9404 0.0000 0.0000 52243.6189 -109255.4566 300.2448 -161499.0755 -108896.1167 299.6616 -36.2932 -5.2936 763524.9450 0.8947 0.7816 LDB: ============= START OF LOAD BALANCING ============== 10461.4 LDB: ============== END OF LOAD BALANCING =============== 10461.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10461.4 LDB: ============= START OF LOAD BALANCING ============== 10461.7 LDB: Largest compute 6996 load 0.028176 is 14.4% of average load 0.195213 LDB: Average compute 0.004375 is 2.2% of average load 0.195213 LDB: TIME 10461.7 LOAD: AVG 0.195213 MAX 0.214798 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.598 MB LDB: TIME 10461.7 LOAD: AVG 0.195213 MAX 0.214798 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.598 MB LDB: TIME 10461.7 LOAD: AVG 0.195213 MAX 0.214798 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.598 MB LDB: ============== END OF LOAD BALANCING =============== 10461.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10461.7 PRESSURE: 3344400 -43.9644 97.6033 8.97978 97.6035 -276.993 91.4743 8.97955 91.4751 121.37 GPRESSURE: 3344400 74.1738 87.1851 21.56 107.675 -300.555 146.93 -3.41521 184.946 110.538 PRESSAVG: 3344400 -11.0994 35.1179 28.4047 35.1179 -5.75049 -5.81721 28.4047 -5.8173 18.7155 GPRESSAVG: 3344400 -10.0983 35.7066 28.7894 33.7462 -6.14259 -4.55359 26.3852 -7.32667 18.4213 TIMING: 3344400 CPU: 10449.6, 0.00319408/step Wall: 10449.6, 0.00319408/step, 1.46892 hours remaining, 233.539062 MB of memory in use. ENERGY: 3344400 4022.6480 20502.6211 14469.6535 251.7086 -203032.7254 2570.9218 0.0000 0.0000 51965.3367 -109249.8356 298.6455 -161215.1723 -108899.0273 299.2282 -66.5291 -38.6145 762908.1040 0.6219 0.7268 PRESSURE: 3344600 307.658 159.671 137.585 159.671 126.755 74.1629 137.585 74.1635 23.8949 GPRESSURE: 3344600 293.582 125.983 119.063 102.245 182.748 64.8378 143.536 56.5178 75.5688 PRESSAVG: 3344600 -5.18888 3.75076 33.6992 3.7507 -12.6541 22.9296 33.6992 22.9296 7.19654 GPRESSAVG: 3344600 -5.34106 3.90702 35.1571 3.77038 -12.5916 22.7254 35.2829 24.0118 7.44825 TIMING: 3344600 CPU: 10450.2, 0.0031227/step Wall: 10450.2, 0.0031227/step, 1.43592 hours remaining, 233.539062 MB of memory in use. ENERGY: 3344600 3891.0820 20526.2109 14409.8338 243.6277 -203268.6872 2701.6279 0.0000 0.0000 52414.3236 -109081.9812 301.2258 -161496.3048 -108718.9680 299.9297 152.7692 183.9660 761318.5191 -3.5488 -3.4948 PRESSURE: 3344800 -175.508 64.3506 42.297 64.3506 -30.232 20.7712 42.2978 20.7707 107.124 GPRESSURE: 3344800 -112.764 -39.898 77.706 -27.0969 -54.1371 -44.1831 214.881 -30.2631 146.912 PRESSAVG: 3344800 10.7638 22.0928 57.3215 22.0927 -40.5791 49.772 57.3215 49.7719 -16.2228 GPRESSAVG: 3344800 10.0417 23.5283 55.9589 20.2895 -40.2335 48.9995 58.9648 48.6053 -15.6935 TIMING: 3344800 CPU: 10450.8, 0.00312808/step Wall: 10450.8, 0.00312808/step, 1.43822 hours remaining, 233.539062 MB of memory in use. ENERGY: 3344800 3983.1980 20527.7422 14402.7939 258.5091 -203559.5527 2828.5387 0.0000 0.0000 52240.5541 -109318.2167 300.2272 -161558.7708 -108951.6970 299.7666 -32.8719 -6.6633 762273.5635 -15.3460 -15.2951 PRESSURE: 3345000 -555.351 103.811 -41.9354 103.812 -821.402 8.81189 -41.9358 8.81224 -283.864 GPRESSURE: 3345000 -474.099 92.1067 -18.0769 10.5564 -753.902 55.3991 -63.7313 64.723 -335.953 PRESSAVG: 3345000 -18.9349 27.1247 10.2266 27.1247 -5.9667 6.24007 10.2266 6.24009 -8.10574 GPRESSAVG: 3345000 -18.4263 27.2349 10.0794 25.5824 -6.27843 6.12152 10.806 8.98653 -8.2455 TIMING: 3345000 CPU: 10451.4, 0.00313287/step Wall: 10451.4, 0.00313287/step, 1.44025 hours remaining, 233.539062 MB of memory in use. ENERGY: 3345000 4066.8188 20492.9909 14487.4648 252.1694 -203348.1874 2511.5801 0.0000 0.0000 52101.5528 -109435.6106 299.4283 -161537.1634 -109087.9594 299.4904 -553.5391 -521.3180 762323.4698 -11.0024 -10.9834 PRESSURE: 3345200 287.84 9.85293 7.41911 9.85392 490.994 -31.1225 7.41822 -31.1222 171.005 GPRESSURE: 3345200 296.032 -35.0294 -11.8717 58.337 566.774 15.1508 58.6476 -89.0434 200.041 PRESSAVG: 3345200 -12.5515 -2.96933 -4.83488 -2.96932 46.7274 43.3951 -4.83492 43.3951 7.47895 GPRESSAVG: 3345200 -11.6923 -4.63201 -4.12908 1.07914 46.4754 45.3548 -7.41007 41.3046 6.72352 TIMING: 3345200 CPU: 10452.1, 0.0031204/step Wall: 10452.1, 0.0031204/step, 1.43435 hours remaining, 233.539062 MB of memory in use. ENERGY: 3345200 3964.1822 20430.4257 14412.0067 253.4322 -203943.0249 3179.2584 0.0000 0.0000 52437.2564 -109266.4632 301.3576 -161703.7196 -108902.4516 299.9272 316.6131 354.2823 760720.1294 13.8849 13.8356 PRESSURE: 3345400 -71.6154 -2.71952 140.292 -2.71924 121.099 105.292 140.292 105.293 119.012 GPRESSURE: 3345400 80.5273 -5.20437 107.241 -28.819 114.692 89.8931 47.7957 107.393 45.9753 PRESSAVG: 3345400 1.17709 15.1808 -8.57282 15.1808 19.4949 36.4036 -8.57279 36.4036 -3.16271 GPRESSAVG: 3345400 1.22207 15.6412 -8.48063 14.53 18.9233 34.1401 -7.44558 36.4699 -2.75096 TIMING: 3345400 CPU: 10452.7, 0.00312519/step Wall: 10452.7, 0.00312519/step, 1.43637 hours remaining, 233.539062 MB of memory in use. ENERGY: 3345400 3947.7352 20559.7038 14367.0201 236.1066 -203530.4294 3071.5121 0.0000 0.0000 51917.1706 -109431.1809 298.3687 -161348.3515 -109065.7446 299.1926 56.1651 80.3982 763011.7089 5.8364 5.7981 PRESSURE: 3345600 233.862 237.09 -10.2005 237.091 -118.067 -144.85 -10.202 -144.85 -206.354 GPRESSURE: 3345600 270.645 285.098 11.37 145.008 -80.2898 -165.717 -2.33628 68.3933 -188.606 PRESSAVG: 3345600 28.2697 -46.5761 -10.6489 -46.5761 -4.61691 46.1894 -10.6489 46.1894 -8.80046 GPRESSAVG: 3345600 26.5692 -47.822 -9.83744 -46.3649 -1.84272 46.8522 -10.6586 49.7985 -8.97622 TIMING: 3345600 CPU: 10453.3, 0.00312131/step Wall: 10453.3, 0.00312131/step, 1.43441 hours remaining, 233.539062 MB of memory in use. ENERGY: 3345600 3998.0344 20538.8675 14451.4003 231.5902 -203573.1520 2917.7670 0.0000 0.0000 52206.0045 -109229.4880 300.0286 -161435.4925 -108876.9083 299.6435 -30.1863 0.5830 761990.4856 4.9508 5.2501 PRESSURE: 3345800 -113.697 -11.3884 -148.627 -11.3887 -328.376 -45.0623 -148.629 -45.0626 -89.9699 GPRESSURE: 3345800 -60.9327 -53.1984 -155.032 -100.159 -304.451 -15.5575 -34.6681 -100.134 -97.4896 PRESSAVG: 3345800 25.2035 -18.4258 10.0714 -18.4258 -8.0094 28.001 10.0713 28.001 -8.21669 GPRESSAVG: 3345800 25.8994 -17.857 9.95577 -18.7159 -9.36742 28.5356 7.80954 24.6792 -7.70349 TIMING: 3345800 CPU: 10453.9, 0.00312667/step Wall: 10453.9, 0.00312667/step, 1.4367 hours remaining, 233.539062 MB of memory in use. ENERGY: 3345800 3939.9138 20783.9794 14404.4917 279.2185 -203279.2310 2688.9668 0.0000 0.0000 52010.0493 -109172.6115 298.9025 -161182.6608 -108814.9148 299.7200 -177.3478 -154.2910 762407.5595 2.9925 2.9428 PRESSURE: 3346000 103.312 201.832 120.985 201.832 -376.151 -89.9686 120.986 -89.9682 147.835 GPRESSURE: 3346000 90.0102 167.352 181.371 258.267 -242.285 -70.5427 115.482 -32.2324 107.649 PRESSAVG: 3346000 16.028 -66.6922 -19.2149 -66.6922 22.2557 38.8905 -19.215 38.8904 4.97908 GPRESSAVG: 3346000 17.4268 -67.0789 -21.4479 -66.8321 22.025 39.7425 -17.0369 39.3962 3.34727 TIMING: 3346000 CPU: 10454.6, 0.00312709/step Wall: 10454.6, 0.00312709/step, 1.43672 hours remaining, 233.539062 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: 3346000 3938.4756 20631.4354 14396.1953 243.3542 -203219.9742 2549.4034 0.0000 0.0000 52082.5594 -109378.5508 299.3192 -161461.1102 -109010.5422 299.6487 -41.6682 -14.8752 763654.1853 14.4209 14.2663 PRESSURE: 3346200 -45.5332 -202.038 -24.6501 -202.038 -22.0344 218.312 -24.6506 218.312 -125.758 GPRESSURE: 3346200 -17.378 -218.372 -70.7726 -146.635 -5.66962 235.17 -135.672 145.01 -82.8428 PRESSAVG: 3346200 1.42146 -42.9503 -19.383 -42.9503 -36.2746 6.07628 -19.383 6.07629 13.9862 GPRESSAVG: 3346200 0.397412 -41.9339 -18.9624 -41.9911 -35.6457 5.44107 -19.8847 6.84717 14.9323 TIMING: 3346200 CPU: 10455.2, 0.00312404/step Wall: 10455.2, 0.00312404/step, 1.43515 hours remaining, 233.539062 MB of memory in use. ENERGY: 3346200 4011.8075 20549.5507 14438.6116 257.1678 -203775.2839 2998.3424 0.0000 0.0000 52085.1553 -109434.6485 299.3341 -161519.8038 -109065.4874 299.4441 -64.4417 -35.2968 762263.3692 -6.9556 -6.7720 PRESSURE: 3346400 382.126 268.36 174.633 268.36 139.265 -3.70583 174.632 -3.70552 112.605 GPRESSURE: 3346400 393.662 241.519 174.512 233.892 151.248 57.7939 60.958 11.7608 145.031 PRESSAVG: 3346400 37.1799 -25.4801 7.54739 -25.4801 -77.7612 -4.11154 7.54727 -4.11166 -44.5088 GPRESSAVG: 3346400 37.5227 -26.7526 7.80885 -25.0977 -79.509 -4.11053 7.35384 -5.59346 -42.9854 TIMING: 3346400 CPU: 10455.8, 0.0031221/step Wall: 10455.8, 0.0031221/step, 1.43409 hours remaining, 233.539062 MB of memory in use. ENERGY: 3346400 3943.6921 20523.0712 14500.9630 243.7431 -203479.8863 2815.3248 0.0000 0.0000 51923.8799 -109529.2122 298.4073 -161453.0921 -109170.8813 298.8586 211.3321 229.9802 761732.0005 -28.3634 -28.3239 PRESSURE: 3346600 -90.3084 68.451 -124.623 68.4515 -148.995 20.1784 -124.623 20.1777 -386.179 GPRESSURE: 3346600 -104.759 52.5475 -187.348 114.619 -109.809 30.6722 -156.29 9.68159 -329.099 PRESSAVG: 3346600 10.9436 38.1016 78.4524 38.1016 -23.7045 -13.7857 78.4525 -13.7857 -2.86657 GPRESSAVG: 3346600 10.6879 37.3689 78.6933 36.2231 -22.9326 -15.1452 78.3792 -11.178 -3.60367 TIMING: 3346600 CPU: 10456.4, 0.00313382/step Wall: 10456.4, 0.00313382/step, 1.43929 hours remaining, 233.539062 MB of memory in use. ENERGY: 3346600 4011.1161 20638.0475 14405.7669 236.2509 -203117.5795 2701.3796 0.0000 0.0000 51887.4710 -109237.5475 298.1980 -161125.0185 -108881.9788 298.9019 -208.4941 -181.2222 763576.7344 -5.2091 -5.2828 PRESSURE: 3346800 383.436 -13.7003 -171.229 -13.6992 67.6302 66.3393 -171.229 66.3398 -175.316 GPRESSURE: 3346800 372.32 7.65032 -153.85 69.2038 125.788 148.406 -110.975 164.43 -150.98 PRESSAVG: 3346800 42.0503 12.093 10.9891 12.093 -81.2444 -8.33091 10.989 -8.33095 11.4663 GPRESSAVG: 3346800 42.4724 15.1086 10.9856 13.361 -80.5692 -6.42554 10.7385 -11.3083 9.99917 TIMING: 3346800 CPU: 10457.1, 0.00312407/step Wall: 10457.1, 0.00312407/step, 1.43464 hours remaining, 233.539062 MB of memory in use. ENERGY: 3346800 4048.2125 20760.0154 14459.6183 236.3014 -203719.5555 3026.6995 0.0000 0.0000 51964.1266 -109224.5818 298.6385 -161188.7084 -108868.3382 298.9619 91.9167 115.7095 762564.1409 -9.2426 -9.3659 PRESSURE: 3347000 -545.38 201.024 10.4174 201.024 -485.77 273.501 10.4169 273.501 -173.232 GPRESSURE: 3347000 -519.211 106.026 37.3689 211.79 -420.834 204.483 41.0543 279.841 -176.231 PRESSAVG: 3347000 22.2724 -4.53404 27.6186 -4.53396 -36.6606 -31.0938 27.6185 -31.0938 -37.0465 GPRESSAVG: 3347000 21.6193 -6.48966 28.8665 -3.62672 -37.3357 -31.9767 27.9005 -28.5611 -35.6591 TIMING: 3347000 CPU: 10457.7, 0.00312593/step Wall: 10457.7, 0.00312593/step, 1.43532 hours remaining, 233.539062 MB of memory in use. ENERGY: 3347000 4060.5573 20557.4167 14428.0925 251.0757 -203124.8196 2350.0227 0.0000 0.0000 52068.7206 -109408.9342 299.2397 -161477.6547 -109042.2096 299.0676 -401.4609 -372.0922 763044.1041 -17.1449 -17.1252 PRESSURE: 3347200 -16.2245 10.6876 34.1779 10.6879 -17.0674 32.4464 34.178 32.4466 21.5746 GPRESSURE: 3347200 109.037 -29.6914 42.9024 32.5407 -122.818 -8.29994 30.4291 -38.1448 63.3968 PRESSAVG: 3347200 24.8634 -23.6972 20.391 -23.6971 -3.79808 -3.74903 20.3909 -3.74904 -9.90448 GPRESSAVG: 3347200 26.3152 -23.8059 20.9586 -26.6055 -4.39113 -4.75483 19.7849 -5.61455 -10.8885 TIMING: 3347200 CPU: 10458.3, 0.00312951/step Wall: 10458.3, 0.00312951/step, 1.43679 hours remaining, 233.539062 MB of memory in use. ENERGY: 3347200 3990.6126 20443.5307 14442.0213 248.7650 -203541.9063 2844.9630 0.0000 0.0000 52219.3706 -109352.6432 300.1054 -161572.0138 -108986.9745 298.8798 -3.9058 16.5385 762800.9045 3.7203 3.6785 PRESSURE: 3347400 -39.1918 -90.9124 33.8446 -90.9125 224.297 154.082 33.8445 154.081 -413.749 GPRESSURE: 3347400 -22.4218 -78.6447 84.4975 -61.9627 219.19 166.191 27.4126 106.815 -334.238 PRESSAVG: 3347400 -25.7335 -50.1846 -48.1865 -50.1846 23.3562 -6.08079 -48.1865 -6.08068 14.642 GPRESSAVG: 3347400 -26.5282 -49.8636 -46.8617 -47.4669 23.6758 -4.2563 -48.3188 -3.45056 14.6263 TIMING: 3347400 CPU: 10458.9, 0.00314266/step Wall: 10458.9, 0.00314266/step, 1.44265 hours remaining, 233.539062 MB of memory in use. ENERGY: 3347400 4004.9409 20434.9652 14466.7143 255.9663 -203195.6730 2686.6867 0.0000 0.0000 51893.3158 -109453.0837 298.2316 -161346.3995 -109087.6622 298.7478 -76.2146 -45.8232 763022.0186 4.0883 3.9246 PRESSURE: 3347600 -296.886 7.53133 83.7572 7.53112 -45.3908 -78.056 83.7568 -78.0549 -157.344 GPRESSURE: 3347600 -320.422 66.3079 12.6642 -165.184 -4.3445 -53.005 137.923 -91.3229 -94.8333 PRESSAVG: 3347600 -13.8008 -21.7514 55.2293 -21.7513 56.7538 -12.4475 55.2293 -12.4474 1.27298 GPRESSAVG: 3347600 -14.1937 -19.9344 53.764 -22.7531 57.0989 -12.9649 53.1172 -14.8355 1.81846 TIMING: 3347600 CPU: 10459.6, 0.00313234/step Wall: 10459.6, 0.00313234/step, 1.43774 hours remaining, 233.539062 MB of memory in use. ENERGY: 3347600 4068.1373 20649.9644 14441.9881 228.1020 -203311.1192 2691.2704 0.0000 0.0000 51977.7559 -109253.9011 298.7169 -161231.6570 -108901.3601 298.8467 -166.5403 -139.8668 762062.8354 14.7420 14.9079 PRESSURE: 3347800 -94.6382 -47.3172 292.056 -47.3175 72.99 102.833 292.056 102.833 37.4276 GPRESSURE: 3347800 -103.856 -9.92791 251.664 -91.1853 128.589 55.9515 160.767 38.0155 70.7211 PRESSAVG: 3347800 -31.671 16.6639 12.7612 16.664 46.6099 -14.4308 12.7612 -14.4308 13.0638 GPRESSAVG: 3347800 -31.3878 15.5237 12.3642 17.6781 46.7843 -14.3136 14.6811 -14.2256 12.2889 TIMING: 3347800 CPU: 10460.2, 0.00311271/step Wall: 10460.2, 0.00311271/step, 1.42856 hours remaining, 233.539062 MB of memory in use. ENERGY: 3347800 3978.9019 20449.4644 14469.9437 245.4939 -203340.1739 2538.0872 0.0000 0.0000 52391.3258 -109266.9571 301.0937 -161658.2828 -108901.7028 299.1406 5.2598 31.8181 762290.2089 9.3342 9.2285 PRESSURE: 3348000 128.624 -243.025 62.8383 -243.025 239.635 183.751 62.8384 183.753 890.002 GPRESSURE: 3348000 132.769 -223.331 93.9149 -161.236 278.282 149.34 53.9362 156.212 959.337 PRESSAVG: 3348000 -22.6199 10.1872 -17.3748 10.1872 44.0432 6.7402 -17.3748 6.74018 12.1945 GPRESSAVG: 3348000 -22.674 8.53455 -15.688 8.5067 44.2219 6.70476 -16.7355 6.88382 12.1626 TIMING: 3348000 CPU: 10460.8, 0.00312872/step Wall: 10460.8, 0.00312872/step, 1.43573 hours remaining, 233.539062 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: 3348000 3879.7198 20743.7332 14499.2584 259.0792 -203015.3820 2514.1896 0.0000 0.0000 51812.3490 -109307.0528 297.7663 -161119.4018 -108939.4090 299.1129 419.4205 456.7960 760605.2153 11.2059 11.2368 PRESSURE: 3348200 -434.02 135.949 -286.673 135.949 205.342 100.643 -286.673 100.643 -575.342 GPRESSURE: 3348200 -375.724 169.383 -295.201 139.031 205.045 101.571 -281.023 49.3578 -535.58 PRESSAVG: 3348200 -26.5285 -9.13443 -11.7877 -9.13441 27.9838 -29.0443 -11.7876 -29.0444 4.00214 GPRESSAVG: 3348200 -26.83 -8.18591 -13.9442 -7.59567 27.526 -30.4828 -11.9756 -28.8615 4.98853 TIMING: 3348200 CPU: 10461.4, 0.00312813/step Wall: 10461.4, 0.00312813/step, 1.43529 hours remaining, 233.539062 MB of memory in use. ENERGY: 3348200 3996.1344 20731.1115 14473.6080 243.2992 -203194.3279 2446.7040 0.0000 0.0000 52202.1757 -109101.2950 300.0066 -161303.4708 -108739.1946 299.5918 -268.0066 -235.4198 762527.1387 1.8192 1.8948 LDB: ============= START OF LOAD BALANCING ============== 10473.9 LDB: ============== END OF LOAD BALANCING =============== 10473.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10473.9 LDB: ============= START OF LOAD BALANCING ============== 10474.2 LDB: Largest compute 7031 load 0.028758 is 14.7% of average load 0.195107 LDB: Average compute 0.004396 is 2.3% of average load 0.195107 LDB: TIME 10474.2 LOAD: AVG 0.195107 MAX 0.21491 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.113 MB LDB: TIME 10474.2 LOAD: AVG 0.195107 MAX 0.21491 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.113 MB LDB: TIME 10474.2 LOAD: AVG 0.195107 MAX 0.21491 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.113 MB LDB: ============== END OF LOAD BALANCING =============== 10474.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10474.2 PRESSURE: 3348400 378.505 77.9034 282.769 77.9025 100.796 54.743 282.769 54.7428 359.507 GPRESSURE: 3348400 346.995 116.37 295.982 48.4537 203.258 111.964 340.777 81.1863 377.005 PRESSAVG: 3348400 -25.5686 29.7149 7.8175 29.7148 27.2745 11.7808 7.81754 11.7807 12.8766 GPRESSAVG: 3348400 -24.5349 32.4889 9.23393 27.774 26.8492 13.0989 9.30836 10.5558 12.5081 TIMING: 3348400 CPU: 10462.1, 0.00319542/step Wall: 10462.1, 0.00319542/step, 1.46599 hours remaining, 234.789062 MB of memory in use. ENERGY: 3348400 4011.5896 20579.1862 14474.4777 253.4014 -202994.8854 2503.9657 0.0000 0.0000 52041.9748 -109130.2900 299.0859 -161172.2648 -108761.7872 299.5530 279.6024 309.0859 762397.7910 4.8608 4.9408 PRESSURE: 3348600 76.2096 -1.64381 -149.128 -1.64382 -154.443 181.253 -149.128 181.252 270.168 GPRESSURE: 3348600 58.0997 -73.4401 -189.23 -96.6993 -21.0516 161.225 -94.5505 155.275 269.087 PRESSAVG: 3348600 -12.6912 8.07311 69.3639 8.07315 41.6499 6.37271 69.364 6.37272 -6.12482 GPRESSAVG: 3348600 -12.9224 4.35351 68.2487 9.45609 42.4858 5.47994 70.1058 5.94687 -6.32975 TIMING: 3348600 CPU: 10462.7, 0.00312466/step Wall: 10462.7, 0.00312466/step, 1.43335 hours remaining, 234.992188 MB of memory in use. ENERGY: 3348600 4015.0101 20804.7538 14382.1874 246.0315 -203210.7857 2794.9402 0.0000 0.0000 51745.6285 -109222.2341 297.3828 -160967.8627 -108858.8967 299.6676 63.9781 102.0452 762196.2197 7.6113 7.7446 PRESSURE: 3348800 300.143 -136.864 -27.2012 -136.864 -301.015 -49.4666 -27.2016 -49.4657 116.146 GPRESSURE: 3348800 259.21 -123.814 -112.323 -118.892 -224.071 -99.6783 99.6968 -94.8961 168.982 PRESSAVG: 3348800 26.2602 -57.9318 30.4951 -57.9318 -19.2349 -10.6623 30.4951 -10.6622 -19.2563 GPRESSAVG: 3348800 26.9449 -57.7688 32.3446 -58.2776 -19.9087 -10.1877 28.4939 -9.88722 -19.4632 TIMING: 3348800 CPU: 10463.3, 0.00311302/step Wall: 10463.3, 0.00311302/step, 1.42784 hours remaining, 234.992188 MB of memory in use. ENERGY: 3348800 4012.0726 20589.8367 14489.7826 249.3293 -203000.4634 2567.0013 0.0000 0.0000 51969.0052 -109123.4356 298.6666 -161092.4408 -108748.4433 299.5431 38.4245 68.0403 762891.3079 -4.0770 -4.1423 PRESSURE: 3349000 -198.402 254.076 -154.297 254.075 54.0804 1.55307 -154.297 1.55247 -79.1443 GPRESSURE: 3349000 -19.8325 103.175 -222.05 201.061 25.2072 35.0246 -125.44 44.7284 -127.073 PRESSAVG: 3349000 1.02238 -1.49703 0.0495844 -1.49698 -0.833524 -23.5519 0.0495786 -23.5519 3.40869 GPRESSAVG: 3349000 -0.122239 -3.95631 0.71183 0.030011 -0.794428 -21.6352 -0.328956 -23.4376 4.64908 TIMING: 3349000 CPU: 10463.9, 0.00312285/step Wall: 10463.9, 0.00312285/step, 1.43218 hours remaining, 234.992188 MB of memory in use. ENERGY: 3349000 3982.6295 20721.3561 14347.8128 269.4464 -203097.9755 2627.8042 0.0000 0.0000 51978.6156 -109170.3110 298.7218 -161148.9266 -108809.1276 298.6232 -74.4885 -40.5661 763460.5666 1.1992 1.2441 PRESSURE: 3349200 -203.753 29.2217 47.2879 29.2223 202.772 351.837 47.287 351.837 -128.459 GPRESSURE: 3349200 -178.167 116.648 53.5789 26.8237 248.604 348.602 110.977 162.889 -105.079 PRESSAVG: 3349200 21.5553 0.0500278 29.5786 0.0500008 -29.5702 25.2029 29.5785 25.2029 -10.0429 GPRESSAVG: 3349200 22.9203 2.63798 26.661 -1.77884 -30.1661 24.0213 31.0831 24.0508 -10.8191 TIMING: 3349200 CPU: 10464.6, 0.00311135/step Wall: 10464.6, 0.00311135/step, 1.42673 hours remaining, 234.992188 MB of memory in use. ENERGY: 3349200 3990.6734 20590.7994 14477.6123 269.0132 -202599.3388 2164.8204 0.0000 0.0000 51846.6359 -109259.7843 297.9633 -161106.4202 -108891.0819 299.3103 -43.1465 -11.5472 763485.4450 -6.0193 -6.0216 PRESSURE: 3349400 -277.923 187.81 30.494 187.81 -553.236 -94.0753 30.4933 -94.0751 -22.2886 GPRESSURE: 3349400 -249.863 297.918 76.4461 90.4475 -533.434 -191.232 99.4093 -14.0171 23.4834 PRESSAVG: 3349400 -16.6021 22.9188 15.8875 22.9187 4.02885 12.0628 15.8875 12.0629 -5.24146 GPRESSAVG: 3349400 -17.2231 23.8112 17.8746 25.4025 4.71124 11.9822 16.5577 11.3872 -5.19473 TIMING: 3349400 CPU: 10465.2, 0.00311946/step Wall: 10465.2, 0.00311946/step, 1.43027 hours remaining, 234.992188 MB of memory in use. ENERGY: 3349400 4075.5811 20502.1959 14506.8365 269.1155 -203326.9278 2567.0114 0.0000 0.0000 51860.3179 -109545.8696 298.0420 -161406.1875 -109185.6983 299.0413 -284.4825 -253.2713 762187.9763 -5.9382 -5.9022 PRESSURE: 3349600 -293.708 -6.02722 -62.2633 -6.02808 -165.476 -288.293 -62.263 -288.295 293.55 GPRESSURE: 3349600 -188.298 43.5524 12.8066 -18.4233 -187.035 -193.693 62.0613 -208.614 292.707 PRESSAVG: 3349600 20.6212 38.284 54.4577 38.284 -21.8348 -11.6868 54.4577 -11.6868 -9.97802 GPRESSAVG: 3349600 19.6043 38.6965 55.1016 35.7436 -20.9333 -13.0283 52.8372 -9.12284 -9.44181 TIMING: 3349600 CPU: 10465.8, 0.00310494/step Wall: 10465.8, 0.00310494/step, 1.42344 hours remaining, 234.992188 MB of memory in use. ENERGY: 3349600 3931.3571 20853.3519 14338.9777 252.6431 -203082.8199 2441.9904 0.0000 0.0000 51804.7843 -109459.7153 297.7228 -161264.4997 -109100.8982 298.8995 -55.2112 -27.5420 762360.6456 -3.7305 -3.5903 PRESSURE: 3349800 14.1488 57.6208 43.3759 57.6206 -53.6374 -89.7195 43.3756 -89.7205 -78.8554 GPRESSURE: 3349800 96.2675 -26.6425 72.1395 164.287 -44.4615 -242.782 68.9767 42.5059 -75.939 PRESSAVG: 3349800 22.0309 2.12664 31.0891 2.12656 -38.9214 7.4764 31.0891 7.47642 -27.0178 GPRESSAVG: 3349800 21.6976 2.18099 28.2315 2.22708 -37.3124 7.90496 31.6325 8.61433 -27.5935 TIMING: 3349800 CPU: 10466.4, 0.00311975/step Wall: 10466.4, 0.00311975/step, 1.43006 hours remaining, 234.992188 MB of memory in use. ENERGY: 3349800 3966.2510 20551.0311 14401.2614 250.8393 -203397.8028 2754.6869 0.0000 0.0000 52025.5141 -109448.2190 298.9913 -161473.7331 -109082.3438 298.8272 -39.4480 -8.0444 762050.8769 -14.6361 -14.4028 PRESSURE: 3350000 -453.417 -78.4017 123.637 -78.402 -343.949 151.727 123.636 151.726 -33.6161 GPRESSURE: 3350000 -407.024 -191.034 46.8839 -89.7524 -301.494 109.045 0.719681 103.949 -24.5585 PRESSAVG: 3350000 51.5228 -13.4073 -28.0215 -13.4073 -2.34353 21.1341 -28.0215 21.1342 1.30309 GPRESSAVG: 3350000 54.0321 -14.9802 -26.8214 -12.7835 -4.81858 21.1934 -28.6236 22.0706 1.65151 TIMING: 3350000 CPU: 10467.1, 0.0031158/step Wall: 10467.1, 0.0031158/step, 1.42808 hours remaining, 234.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3350000 3943.2652 20621.0854 14324.2071 242.1500 -202889.4372 2453.6881 0.0000 0.0000 52168.7440 -109136.2973 299.8145 -161305.0414 -108776.7906 299.3412 -276.9941 -244.3589 762760.6717 16.8275 16.9550 PRESSURE: 3350200 139.662 234.69 145.078 234.69 -23.4709 103.09 145.078 103.09 -172.741 GPRESSURE: 3350200 50.5702 238.971 121.6 198.573 21.067 166.796 155.466 -102.065 -54.8434 PRESSAVG: 3350200 -86.295 -21.083 36.4672 -21.083 75.5634 12.6157 36.4673 12.6157 10.6441 GPRESSAVG: 3350200 -88.8801 -17.1496 36.6873 -22.7724 76.7721 13.1541 36.2246 9.52952 12.025 TIMING: 3350200 CPU: 10467.7, 0.00310597/step Wall: 10467.7, 0.00310597/step, 1.4234 hours remaining, 234.992188 MB of memory in use. ENERGY: 3350200 4056.6789 20512.8274 14479.7469 249.4392 -202922.0048 2401.0875 0.0000 0.0000 52105.4589 -109116.7661 299.4508 -161222.2250 -108755.5571 300.1481 -18.8499 5.5979 761753.9946 -0.0292 -0.0277 PRESSURE: 3350400 288.204 77.4658 52.5515 77.4659 174.638 102.088 52.5514 102.088 82.7347 GPRESSURE: 3350400 337.628 48.725 -71.7468 231.194 265.373 173.064 -13.5039 32.96 32.6143 PRESSAVG: 3350400 -27.2319 27.6482 -33.6023 27.6482 51.8297 2.81955 -33.6023 2.81953 -17.9108 GPRESSAVG: 3350400 -27.3055 24.5908 -34.1927 29.3341 51.5531 2.59167 -30.7439 2.00551 -17.6007 TIMING: 3350400 CPU: 10468.3, 0.00312287/step Wall: 10468.3, 0.00312287/step, 1.43097 hours remaining, 234.992188 MB of memory in use. ENERGY: 3350400 3980.2889 20509.4282 14356.7617 235.4532 -202957.1390 2543.2874 0.0000 0.0000 52198.9398 -109132.9799 299.9880 -161331.9196 -108768.0239 300.1417 181.8590 211.8718 762473.2026 2.2290 2.2156 PRESSURE: 3350600 -87.6275 73.2974 -41.6144 73.2974 -31.9678 14.3936 -41.6147 14.3937 -268.201 GPRESSURE: 3350600 -101.418 -23.5705 -3.1584 82.1653 -12.3004 14.3693 -2.29952 -4.13584 -208.749 PRESSAVG: 3350600 -5.94419 -17.4679 27.227 -17.4678 -22.9238 51.6243 27.2271 51.6243 21.7171 GPRESSAVG: 3350600 -5.61673 -16.4585 26.6234 -17.1366 -22.851 53.0285 25.416 50.9427 21.3827 TIMING: 3350600 CPU: 10468.9, 0.00312196/step Wall: 10468.9, 0.00312196/step, 1.43038 hours remaining, 234.992188 MB of memory in use. ENERGY: 3350600 3983.3922 20458.9278 14390.2404 250.4735 -202866.5945 2419.1519 0.0000 0.0000 52393.5235 -108970.8853 301.1063 -161364.4088 -108603.0950 299.9004 -129.2656 -107.4889 763521.3922 -2.3836 -2.3617 PRESSURE: 3350800 -17.0291 30.9592 -71.7081 30.9596 289.576 -239.692 -71.707 -239.69 -116.724 GPRESSURE: 3350800 -17.8066 77.7086 -163.583 -7.45775 271.81 -360.707 78.3787 -161.601 -9.63565 PRESSAVG: 3350800 30.0845 1.07127 27.6518 1.07122 13.7891 -8.97907 27.6517 -8.97912 -23.7134 GPRESSAVG: 3350800 30.6481 0.198987 29.7379 0.967047 12.718 -9.92716 27.1304 -6.52507 -23.7024 TIMING: 3350800 CPU: 10469.6, 0.00311489/step Wall: 10469.6, 0.00311488/step, 1.42696 hours remaining, 234.992188 MB of memory in use. ENERGY: 3350800 4002.0788 20231.7982 14415.5132 242.1882 -202816.6959 2737.4187 0.0000 0.0000 52267.1339 -108920.5650 300.3799 -161187.6988 -108546.2016 300.1250 51.9411 81.4558 760773.6711 6.7201 6.5546 PRESSURE: 3351000 406.858 138.812 -18.3205 138.812 -408.104 319.676 -18.3206 319.676 167.468 GPRESSURE: 3351000 382.935 158.988 -75.7828 115.356 -244.874 302.026 -29.7397 291.737 118.348 PRESSAVG: 3351000 -84.9751 -11.7804 -12.6061 -11.7804 28.6801 -24.1928 -12.6061 -24.1928 -15.8462 GPRESSAVG: 3351000 -85.8864 -10.4009 -13.5442 -11.5963 30.2797 -24.7292 -13.7138 -23.1195 -16.3914 TIMING: 3351000 CPU: 10470.2, 0.00312701/step Wall: 10470.2, 0.00312701/step, 1.43234 hours remaining, 234.992188 MB of memory in use. ENERGY: 3351000 4015.6516 20531.9988 14385.9664 244.8230 -202670.9402 2626.1389 0.0000 0.0000 52093.2361 -108773.1253 299.3805 -160866.3614 -108415.2476 300.0597 55.4076 85.4699 762503.2202 -24.0471 -23.9994 PRESSURE: 3351200 123.782 -98.8848 -164.805 -98.8851 295.266 180.902 -164.804 180.901 248.542 GPRESSURE: 3351200 214.928 -159.725 -110.574 28.0878 231.851 187.552 -171.317 59.1257 297.872 PRESSAVG: 3351200 66.0854 -14.415 70.8166 -14.415 -48.4016 3.06283 70.8166 3.06283 15.0846 GPRESSAVG: 3351200 67.1468 -15.091 72.1713 -15.2025 -49.053 3.15425 73.5786 0.523202 14.4454 TIMING: 3351200 CPU: 10470.8, 0.00312087/step Wall: 10470.8, 0.00312087/step, 1.42936 hours remaining, 234.992188 MB of memory in use. ENERGY: 3351200 3978.5311 20622.6357 14313.5799 265.2161 -202354.4246 2352.7808 0.0000 0.0000 52088.2312 -108733.4498 299.3518 -160821.6810 -108378.5501 300.2706 222.5300 248.2170 762530.3431 10.9228 10.8464 PRESSURE: 3351400 158.727 123.836 13.554 123.835 -164.307 118.807 13.5547 118.806 -131.276 GPRESSURE: 3351400 122.608 263.447 -7.75964 70.5992 -82.5539 53.3571 -96.0826 35.7094 -90.1577 PRESSAVG: 3351400 51.4083 -23.9675 -13.9767 -23.9676 9.20557 8.02 -13.9767 8.02002 19.6502 GPRESSAVG: 3351400 50.5243 -25.256 -14.4027 -23.1394 10.074 7.45953 -15.4011 9.45483 19.4259 TIMING: 3351400 CPU: 10471.4, 0.00312879/step Wall: 10471.4, 0.00312879/step, 1.43281 hours remaining, 234.992188 MB of memory in use. ENERGY: 3351400 3994.3680 20694.8615 14361.6302 257.2609 -202847.8820 2640.0788 0.0000 0.0000 52059.5528 -108840.1299 299.1870 -160899.6827 -108475.8089 300.0365 -45.6188 -16.7014 762314.9385 26.7547 26.6748 PRESSURE: 3351600 155.811 32.0957 42.6426 32.0948 -49.6555 -56.8487 42.6437 -56.8489 -405.175 GPRESSURE: 3351600 181.051 119.957 -72.7487 4.64864 9.14049 -36.0127 51.1385 -128.744 -414.946 PRESSAVG: 3351600 21.7333 4.48661 42.1217 4.48656 -4.81348 31.643 42.1217 31.6429 5.64913 GPRESSAVG: 3351600 22.7364 5.93585 41.3937 3.63407 -5.2635 30.8664 42.3732 31.9575 5.00199 TIMING: 3351600 CPU: 10472.1, 0.00312383/step Wall: 10472.1, 0.00312383/step, 1.43037 hours remaining, 234.992188 MB of memory in use. ENERGY: 3351600 4057.0726 20663.3198 14408.1724 264.8848 -202955.2207 2454.5121 0.0000 0.0000 52256.2505 -108851.0084 300.3174 -161107.2589 -108482.2085 300.5100 -99.6730 -74.9182 760803.8546 7.5230 7.4916 PRESSURE: 3351800 51.974 28.3391 -165.331 28.3394 -74.3612 -96.5421 -165.331 -96.5418 317.572 GPRESSURE: 3351800 137.196 -81.4671 17.6718 84.0849 -56.575 -104.631 -196.922 -127.779 306.534 PRESSAVG: 3351800 33.2822 -30.5387 29.7389 -30.5387 -45.7322 -2.37762 29.7388 -2.37763 -3.20462 GPRESSAVG: 3351800 31.6373 -32.2059 29.1503 -30.1396 -46.2922 -0.963293 27.2977 -3.9978 -1.63639 TIMING: 3351800 CPU: 10472.7, 0.00310781/step Wall: 10472.7, 0.00310781/step, 1.42286 hours remaining, 234.992188 MB of memory in use. ENERGY: 3351800 4022.7200 20840.6056 14385.1245 249.1182 -203406.8217 2740.0286 0.0000 0.0000 52226.7301 -108942.4947 300.1477 -161169.2248 -108593.2872 300.0011 98.3950 129.0515 759753.1066 -5.2182 -5.4304 PRESSURE: 3352000 88.3646 -104.726 -211.024 -104.726 48.5197 -121.563 -211.025 -121.565 128.568 GPRESSURE: 3352000 191.995 8.05777 -155.277 -136.554 48.4745 -182.412 -140.837 133.033 110.926 PRESSAVG: 3352000 -19.1358 6.99898 -10.7475 6.99901 -45.3995 -44.3194 -10.7474 -44.3195 4.28745 GPRESSAVG: 3352000 -17.6275 7.44389 -10.0793 8.25232 -45.26 -44.8505 -9.41133 -43.3081 3.22515 TIMING: 3352000 CPU: 10473.3, 0.00311587/step Wall: 10473.3, 0.00311587/step, 1.42638 hours remaining, 234.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3352000 3981.0593 20670.6633 14378.5247 251.4105 -203040.4990 2417.7808 0.0000 0.0000 52211.3695 -109129.6908 300.0595 -161341.0603 -108766.5104 300.0808 88.4841 117.1319 761015.3641 -20.0826 -19.8875 PRESSURE: 3352200 -78.267 -17.4866 -158.705 -17.4856 0.357543 118.259 -158.706 118.259 -292.976 GPRESSURE: 3352200 19.1506 -21.6324 -250.109 38.811 -65.665 96.51 -79.2561 149.412 -250.883 PRESSAVG: 3352200 -35.8453 -72.4558 30.4122 -72.4558 18.048 -6.06185 30.4122 -6.06185 -21.5945 GPRESSAVG: 3352200 -34.3719 -71.6604 30.7586 -73.3344 17.8064 -4.35835 31.913 -7.6756 -22.9476 TIMING: 3352200 CPU: 10473.9, 0.00311758/step Wall: 10473.9, 0.00311758/step, 1.42699 hours remaining, 234.992188 MB of memory in use. ENERGY: 3352200 4015.5501 20436.0371 14410.6857 254.2281 -202975.9333 2493.1557 0.0000 0.0000 52269.8749 -109096.4018 300.3957 -161366.2767 -108734.4062 299.8878 -123.6286 -99.1325 761503.3924 -13.1306 -13.1710 LDB: ============= START OF LOAD BALANCING ============== 10486.4 LDB: ============== END OF LOAD BALANCING =============== 10486.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10486.4 LDB: ============= START OF LOAD BALANCING ============== 10486.7 LDB: Largest compute 7037 load 0.029016 is 14.9% of average load 0.195076 LDB: Average compute 0.004396 is 2.3% of average load 0.195076 LDB: TIME 10486.7 LOAD: AVG 0.195076 MAX 0.213244 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 10486.7 LOAD: AVG 0.195076 MAX 0.213244 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: TIME 10486.7 LOAD: AVG 0.195076 MAX 0.213244 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: ============== END OF LOAD BALANCING =============== 10486.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10486.7 PRESSURE: 3352400 -122.261 0.881959 28.1664 0.881815 117.768 252.178 28.166 252.179 -248.243 GPRESSURE: 3352400 -116.421 -98.3228 -7.08531 -29.514 110.711 290.132 -25.6197 171.266 -155.15 PRESSAVG: 3352400 -29.2482 -86.1807 33.1514 -86.1807 4.2509 19.6269 33.1513 19.6268 -12.6006 GPRESSAVG: 3352400 -30.6257 -86.1446 33.4247 -86.5136 3.74024 18.3039 32.0422 21.8997 -10.968 TIMING: 3352400 CPU: 10474.6, 0.00317345/step Wall: 10474.6, 0.00317345/step, 1.45238 hours remaining, 234.820312 MB of memory in use. ENERGY: 3352400 3959.7786 20630.8644 14365.2827 262.6634 -202773.9464 2318.0815 0.0000 0.0000 52067.4571 -109169.8187 299.2324 -161237.2758 -108805.0376 299.7173 -84.2454 -53.6201 761284.6610 -12.5326 -12.6178 PRESSURE: 3352600 240.47 -27.5098 -74.2765 -27.5097 46.5261 -18.9199 -74.277 -18.9209 622.739 GPRESSURE: 3352600 297.3 63.3045 -8.5692 62.4146 142.043 -17.794 -36.4359 -13.4699 538.863 PRESSAVG: 3352600 -45.7726 -75.5106 4.71425 -75.5105 21.8862 -40.1685 4.71426 -40.1683 5.98194 GPRESSAVG: 3352600 -47.0236 -73.9962 3.72993 -74.5289 21.9639 -39.5963 2.98653 -40.3889 7.1592 TIMING: 3352600 CPU: 10475.2, 0.0030949/step Wall: 10475.2, 0.0030949/step, 1.41626 hours remaining, 235.078125 MB of memory in use. ENERGY: 3352600 4016.5243 20741.0451 14421.0976 237.7020 -203738.6560 2952.5177 0.0000 0.0000 52238.6982 -109131.0710 300.2165 -161369.7692 -108772.4525 299.9708 303.2450 326.0684 760694.1894 -5.9681 -5.9669 PRESSURE: 3352800 352.52 -157.044 67.4383 -157.044 16.7923 -73.6276 67.4382 -73.6284 -10.6371 GPRESSURE: 3352800 304.06 -242.775 126.353 -103.46 171.232 -128.143 166.556 -94.7438 -25.6286 PRESSAVG: 3352800 86.2252 -11.3953 20.8869 -11.3954 -42.1017 -21.5588 20.8869 -21.5588 7.12256 GPRESSAVG: 3352800 85.3903 -12.6571 21.0638 -11.7501 -39.883 -23.0352 21.7783 -21.9966 5.18361 TIMING: 3352800 CPU: 10475.8, 0.00309968/step Wall: 10475.8, 0.00309968/step, 1.41827 hours remaining, 235.078125 MB of memory in use. ENERGY: 3352800 3959.7281 20580.8234 14415.5382 273.2639 -203612.5136 2889.1852 0.0000 0.0000 52090.9045 -109403.0702 299.3671 -161493.9747 -109033.3444 300.3623 119.5584 149.8879 760356.2903 17.0820 16.8969 PRESSURE: 3353000 236.723 -149.792 288.64 -149.791 -20.9705 120.522 288.641 120.522 98.4924 GPRESSURE: 3353000 252.372 -220.512 153.832 -118.532 7.65782 64.8373 332.622 5.81411 139.489 PRESSAVG: 3353000 27.1499 -66.2335 28.9938 -66.2335 -31.9292 -31.7885 28.9939 -31.7885 -1.16265 GPRESSAVG: 3353000 27.2669 -67.0559 28.3642 -67.1216 -32.9374 -31.8179 30.0525 -31.6152 -0.306688 TIMING: 3353000 CPU: 10476.4, 0.00309155/step Wall: 10476.4, 0.00309155/step, 1.41439 hours remaining, 235.078125 MB of memory in use. ENERGY: 3353000 4010.0494 20616.6713 14328.1426 233.1050 -203402.1210 2775.3949 0.0000 0.0000 52040.7101 -109398.0477 299.0787 -161438.7578 -109041.9169 299.6451 104.7482 133.1728 760799.5348 -1.9806 -1.9924 PRESSURE: 3353200 -17.6394 34.1172 -12.9535 34.117 44.233 201.944 -12.9532 201.943 -348.06 GPRESSURE: 3353200 116.795 -21.4306 22.5713 92.1022 99.8611 181.568 -95.5443 118.501 -445.424 PRESSAVG: 3353200 67.3593 -4.6965 47.2824 -4.69646 -57.6873 12.0042 47.2825 12.0042 1.44063 GPRESSAVG: 3353200 67.8771 -4.67626 48.8177 -2.62844 -58.4737 11.6897 47.6455 12.0151 1.58179 TIMING: 3353200 CPU: 10477, 0.00310042/step Wall: 10477, 0.00310042/step, 1.41827 hours remaining, 235.335938 MB of memory in use. ENERGY: 3353200 4002.4728 20433.3297 14278.1579 269.6632 -203716.8269 2923.4280 0.0000 0.0000 52214.1336 -109595.6416 300.0753 -161809.7752 -109227.1284 299.6678 -107.1553 -76.2560 760827.7956 3.7042 3.6617 PRESSURE: 3353400 313.787 6.56573 -49.6188 6.5652 21.3765 -109.38 -49.6189 -109.378 72.5538 GPRESSURE: 3353400 382.36 16.5766 -63.5901 24.9759 -10.446 -173.844 -9.50864 78.1836 130.834 PRESSAVG: 3353400 19.7484 4.72851 -19.9501 4.72851 1.4234 -17.2719 -19.9502 -17.2719 -11.1252 GPRESSAVG: 3353400 20.7227 6.67256 -21.2555 4.04298 1.25932 -15.029 -20.6237 -16.3672 -11.8618 TIMING: 3353400 CPU: 10477.7, 0.00310958/step Wall: 10477.7, 0.00310958/step, 1.42229 hours remaining, 235.335938 MB of memory in use. ENERGY: 3353400 3942.5323 20501.1949 14449.9458 257.4399 -203667.0146 2913.9647 0.0000 0.0000 52011.8580 -109590.0790 298.9129 -161601.9370 -109230.9025 299.5255 135.9057 167.5827 758885.8474 3.3489 3.3734 PRESSURE: 3353600 150.014 -90.3079 104.362 -90.3071 -126.995 34.58 104.363 34.5797 -214.995 GPRESSURE: 3353600 151.554 -8.98964 101.903 -49.7324 -115.203 31.4165 85.6104 40.7204 -137.214 PRESSAVG: 3353600 51.2407 -8.18895 8.01509 -8.18896 -44.1447 -7.01513 8.01503 -7.0151 29.2944 GPRESSAVG: 3353600 49.1407 -9.88161 9.17853 -8.81444 -43.8058 -7.05328 6.0143 -7.37128 30.987 TIMING: 3353600 CPU: 10478.3, 0.0031225/step Wall: 10478.3, 0.0031225/step, 1.42802 hours remaining, 235.335938 MB of memory in use. ENERGY: 3353600 3947.9222 20604.6946 14434.2095 258.2909 -203373.9270 2537.9496 0.0000 0.0000 52036.7841 -109554.0761 299.0561 -161590.8602 -109184.4863 299.2167 -63.9919 -33.6207 760367.9010 12.1301 12.1073 PRESSURE: 3353800 -162.714 -161.715 -48.6424 -161.715 -87.5845 63.0917 -48.6438 63.0927 -225.48 GPRESSURE: 3353800 -125.685 -144.383 -183.557 -162.89 -14.5819 64.5811 -25.0598 105.993 -261.216 PRESSAVG: 3353800 35.4633 -14.7419 19.0508 -14.7419 -64.8503 -12.3756 19.0508 -12.3756 -27.6853 GPRESSAVG: 3353800 36.0599 -13.2658 18.9981 -14.1378 -63.728 -11.4512 21.5116 -12.935 -29.772 TIMING: 3353800 CPU: 10478.9, 0.00311625/step Wall: 10478.9, 0.00311625/step, 1.42499 hours remaining, 235.335938 MB of memory in use. ENERGY: 3353800 4012.4341 20372.1925 14380.0598 257.3943 -202935.3788 2342.5715 0.0000 0.0000 51974.4440 -109596.2826 298.6978 -161570.7266 -109240.6910 299.0167 -158.5929 -133.8276 760746.2146 -19.0241 -19.1467 PRESSURE: 3354000 173.027 -74.5081 -255.266 -74.5085 -412.484 45.3826 -255.266 45.3827 -602.993 GPRESSURE: 3354000 291.16 -77.4237 -199.337 -125.291 -484.955 27.9858 -128.709 55.2892 -579.05 PRESSAVG: 3354000 29.0448 28.6091 43.2732 28.609 -3.61614 4.02157 43.2733 4.02157 21.9064 GPRESSAVG: 3354000 28.9524 27.8614 43.4382 29.9356 -4.48614 2.04522 42.6124 5.66799 23.6454 TIMING: 3354000 CPU: 10479.5, 0.003118/step Wall: 10479.5, 0.003118/step, 1.42562 hours remaining, 235.335938 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: 3354000 4058.5715 20678.8737 14423.5193 256.5906 -203559.5072 2608.4215 0.0000 0.0000 52055.9237 -109477.6069 299.1661 -161533.5306 -109116.6373 299.3429 -280.8163 -257.6151 762129.2156 15.7784 16.0372 PRESSURE: 3354200 54.1374 95.2684 -46.3687 95.2679 -118.75 -250.485 -46.3686 -250.484 133.003 GPRESSURE: 3354200 128.572 58.8139 -86.4804 164.181 -55.0215 -187.18 -47.7572 -242.48 97.0287 PRESSAVG: 3354200 26.373 -52.1938 1.94667 -52.1937 -21.218 9.80865 1.94662 9.80865 11.4143 GPRESSAVG: 3354200 28.0236 -51.1948 1.78121 -53.3712 -21.9173 10.0455 3.05723 8.56487 10.8548 TIMING: 3354200 CPU: 10480.2, 0.00312051/step Wall: 10480.2, 0.00312051/step, 1.42659 hours remaining, 235.335938 MB of memory in use. ENERGY: 3354200 3981.0560 20527.2566 14414.4947 236.5600 -203231.6045 2436.8916 0.0000 0.0000 52223.7106 -109411.6349 300.1304 -161635.3456 -109046.7553 299.3693 22.7968 56.8596 761394.6251 5.5231 5.6537 PRESSURE: 3354400 -30.964 -35.9312 117.41 -35.932 -30.1419 -138.306 117.41 -138.306 459.441 GPRESSURE: 3354400 19.4299 -22.8702 127.644 -136.794 4.67705 -133.783 103.219 -89.7829 445.565 PRESSAVG: 3354400 15.6408 -45.2958 27.0038 -45.2959 -26.6909 -48.9875 27.0038 -48.9875 -12.3237 GPRESSAVG: 3354400 14.5164 -45.3134 26.4008 -45.6495 -25.6024 -47.8029 26.1784 -49.6576 -12.3076 TIMING: 3354400 CPU: 10480.8, 0.00310847/step Wall: 10480.8, 0.00310847/step, 1.42092 hours remaining, 235.335938 MB of memory in use. ENERGY: 3354400 3933.8416 20499.9843 14428.8851 249.9519 -203088.0736 2688.8336 0.0000 0.0000 52207.0043 -109079.5728 300.0344 -161286.5772 -108710.1176 299.8593 132.7783 156.5572 762249.0365 -7.7913 -7.7979 PRESSURE: 3354600 234.127 -66.5891 -49.3879 -66.589 -73.9699 117.924 -49.3888 117.924 -65.7938 GPRESSURE: 3354600 191.378 -104.998 55.3509 -112.735 -20.3217 169.423 -152.588 127.246 -5.47458 PRESSAVG: 3354600 67.7656 -30.7834 9.8873 -30.7835 -33.6221 44.5315 9.88727 44.5315 4.66924 GPRESSAVG: 3354600 67.3439 -33.7362 11.0679 -30.7139 -33.9192 44.7528 10.1714 45.005 5.47156 TIMING: 3354600 CPU: 10481.4, 0.00311267/step Wall: 10481.4, 0.00311267/step, 1.42266 hours remaining, 235.335938 MB of memory in use. ENERGY: 3354600 3957.7007 20409.4447 14357.9299 251.8924 -203275.4543 2730.7726 0.0000 0.0000 52273.4180 -109294.2961 300.4161 -161567.7141 -108923.5318 299.9113 31.4543 55.1937 762693.1780 12.9376 12.9654 PRESSURE: 3354800 153.611 -263.852 155.692 -263.852 199.722 80.7098 155.691 80.7099 33.7432 GPRESSURE: 3354800 135.258 -143.306 292.253 -207.316 263.647 95.0109 2.92488 114.284 60.7714 PRESSAVG: 3354800 12.753 -14.5474 5.57556 -14.5474 -68.1551 -47.7794 5.57554 -47.7795 -11.8742 GPRESSAVG: 3354800 14.2857 -13.1772 7.70289 -13.1203 -68.0442 -47.7343 3.40318 -49.4569 -12.7876 TIMING: 3354800 CPU: 10482, 0.00312702/step Wall: 10482, 0.00312702/step, 1.42905 hours remaining, 235.335938 MB of memory in use. ENERGY: 3354800 3931.4657 20555.5614 14430.8885 230.0664 -203064.8058 2626.6418 0.0000 0.0000 52210.7738 -109079.4081 300.0560 -161290.1819 -108715.2029 299.5322 129.0254 153.2255 763049.7895 -22.4254 -22.1820 PRESSURE: 3355000 145.309 133.288 51.7273 133.288 -45.5006 190.651 51.7276 190.651 4.08323 GPRESSURE: 3355000 203.002 176.83 35.9488 122.556 -105.513 167.301 92.2224 99.9221 94.9641 PRESSAVG: 3355000 -21.238 -52.7495 32.5385 -52.7495 40.4108 -31.3798 32.5385 -31.3798 9.36717 GPRESSAVG: 3355000 -21.8403 -52.5351 30.8764 -55.8404 40.9071 -31.8104 35.5582 -30.1598 9.60474 TIMING: 3355000 CPU: 10482.6, 0.003125/step Wall: 10482.6, 0.003125/step, 1.42795 hours remaining, 235.335938 MB of memory in use. ENERGY: 3355000 3869.8296 20605.9268 14417.8740 237.0915 -202764.7491 2448.5538 0.0000 0.0000 52137.1413 -109048.3320 299.6329 -161185.4734 -108680.8354 299.8255 34.6305 64.1510 763761.4605 9.5133 9.5572 PRESSURE: 3355200 -248.553 38.0167 -62.0605 38.0161 -65.7917 -102.917 -62.0604 -102.917 71.2899 GPRESSURE: 3355200 -129.548 99.0816 2.85438 15.407 -96.6182 -10.4717 -251.699 -150.255 67.5082 PRESSAVG: 3355200 10.139 -49.6453 25.8247 -49.6452 -35.9759 -3.54041 25.8247 -3.54037 10.3926 GPRESSAVG: 3355200 10.4301 -48.6571 27.4174 -48.0087 -36.6782 -3.04063 25.7541 -3.5267 10.673 TIMING: 3355200 CPU: 10483.3, 0.00312209/step Wall: 10483.3, 0.00312209/step, 1.42645 hours remaining, 235.335938 MB of memory in use. ENERGY: 3355200 4065.1933 20462.1927 14433.1651 253.1396 -203121.9019 2471.1946 0.0000 0.0000 52266.1705 -109170.8460 300.3744 -161437.0165 -108820.1822 300.0723 -81.0182 -52.8859 763511.0469 -5.1481 -5.1917 PRESSURE: 3355400 -89.5754 82.7516 -137.712 82.7517 101.188 34.4784 -137.713 34.4773 154.626 GPRESSURE: 3355400 -16.177 109.832 -122.454 64.8184 173.718 74.5033 -118.806 132.62 108.423 PRESSAVG: 3355400 20.2777 16.7355 4.10113 16.7355 -52.1583 34.2594 4.10115 34.2592 23.4434 GPRESSAVG: 3355400 20.2397 15.3811 2.88834 15.923 -51.6784 33.1375 3.67942 33.9256 22.673 TIMING: 3355400 CPU: 10483.9, 0.00311878/step Wall: 10483.9, 0.00311878/step, 1.42476 hours remaining, 235.335938 MB of memory in use. ENERGY: 3355400 4020.9706 20408.5813 14476.2311 242.9259 -203214.4710 2777.7024 0.0000 0.0000 52246.1169 -109041.9428 300.2592 -161288.0598 -108679.3946 299.9006 55.4127 88.6545 762980.4710 -2.8124 -2.9219 PRESSURE: 3355600 195.904 -23.7734 47.0635 -23.7725 -55.9975 56.094 47.0641 56.0941 -27.1836 GPRESSURE: 3355600 198.921 -65.8448 101.716 -92.1599 -34.52 16.3009 27.8052 151.967 40.1427 PRESSAVG: 3355600 40.4433 -1.92297 -54.5885 -1.92294 -23.4402 -25.0246 -54.5885 -25.0246 -19.264 GPRESSAVG: 3355600 39.9482 -1.75782 -57.5528 -1.80203 -23.3808 -24.9678 -52.7541 -22.614 -18.5021 TIMING: 3355600 CPU: 10484.5, 0.00311778/step Wall: 10484.5, 0.00311778/step, 1.42413 hours remaining, 235.335938 MB of memory in use. ENERGY: 3355600 3994.0048 20334.4402 14444.0166 250.0995 -203189.1538 2752.3804 0.0000 0.0000 52255.3981 -109158.8144 300.3125 -161414.2124 -108803.4740 299.9667 37.5742 68.1813 762924.9897 -0.7537 -0.6449 PRESSURE: 3355800 216.825 -13.0488 69.7408 -13.0481 77.3387 6.82264 69.742 6.82392 247.24 GPRESSURE: 3355800 256.81 -31.4753 87.7788 -11.7434 70.6656 -37.1302 16.3868 -75.8069 292.817 PRESSAVG: 3355800 -15.6585 -13.7501 29.923 -13.7501 -21.2404 34.6131 29.9231 34.613 3.99456 GPRESSAVG: 3355800 -15.9658 -14.4828 32.1084 -14.1323 -21.584 34.5596 26.3419 31.6438 4.37583 TIMING: 3355800 CPU: 10485.1, 0.00312616/step Wall: 10485.1, 0.00312616/step, 1.42778 hours remaining, 235.335938 MB of memory in use. ENERGY: 3355800 3957.5033 20555.7247 14475.2804 235.8566 -203337.4229 2722.0979 0.0000 0.0000 52033.6085 -109357.3514 299.0379 -161390.9599 -109007.0647 299.3391 180.4678 206.7640 761652.5453 -10.9681 -11.0580 PRESSURE: 3356000 348.481 106.023 -22.3817 106.023 58.9389 206.707 -22.3815 206.707 270.556 GPRESSURE: 3356000 413.11 165.681 39.5009 77.6344 110.614 104.348 -36.9695 275.365 229.887 PRESSAVG: 3356000 8.78814 -44.503 9.39645 -44.503 -48.8674 2.32727 9.39651 2.32721 -9.89742 GPRESSAVG: 3356000 8.75318 -42.4277 9.441 -44.2833 -48.7837 2.15542 11.0849 4.37473 -9.49533 TIMING: 3356000 CPU: 10485.8, 0.00311092/step Wall: 10485.8, 0.00311092/step, 1.42066 hours remaining, 235.335938 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: 3356000 3931.2902 20512.3215 14410.8800 232.2395 -203556.3587 2850.1658 0.0000 0.0000 52152.5822 -109466.8794 299.7216 -161619.4617 -109101.0483 298.9097 225.9919 251.2036 762898.6815 -16.6589 -16.5086 PRESSURE: 3356200 287.983 88.4816 260.826 88.4812 -4.70471 -212.197 260.826 -212.199 -28.7851 GPRESSURE: 3356200 301.631 55.9401 255.393 -13.6082 86.8098 -243.395 248.886 -196.463 -50.6413 PRESSAVG: 3356200 115.067 -19.65 -1.71019 -19.65 -95.291 -43.7085 -1.71019 -43.7085 14.0488 GPRESSAVG: 3356200 116.511 -21.8984 -0.812271 -18.0808 -95.8537 -42.344 -1.69945 -45.8303 12.9274 TIMING: 3356200 CPU: 10486.4, 0.0031042/step Wall: 10486.4, 0.0031042/step, 1.41741 hours remaining, 235.335938 MB of memory in use. ENERGY: 3356200 3981.7419 20407.2907 14395.1654 250.6589 -203412.5292 2763.4029 0.0000 0.0000 52098.8656 -109515.4038 299.4129 -161614.2694 -109154.9512 299.1563 84.8312 112.5999 763426.9951 11.2748 11.1950 LDB: ============= START OF LOAD BALANCING ============== 10498.9 LDB: ============== END OF LOAD BALANCING =============== 10498.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10498.9 LDB: ============= START OF LOAD BALANCING ============== 10499.2 LDB: Largest compute 7041 load 0.028652 is 14.7% of average load 0.195134 LDB: Average compute 0.004370 is 2.2% of average load 0.195134 LDB: TIME 10499.2 LOAD: AVG 0.195134 MAX 0.215397 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.027 MB LDB: TIME 10499.2 LOAD: AVG 0.195134 MAX 0.215397 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.027 MB LDB: TIME 10499.2 LOAD: AVG 0.195134 MAX 0.215397 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.027 MB LDB: ============== END OF LOAD BALANCING =============== 10499.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10499.2 PRESSURE: 3356400 146.1 17.9895 -39.9066 17.9911 31.0725 237.063 -39.9059 237.063 382.603 GPRESSURE: 3356400 206.634 106.225 -94.7908 -18.133 74.4332 261.688 -46.3472 163.771 367.423 PRESSAVG: 3356400 6.98516 -23.3804 -33.8523 -23.3804 8.33032 -27.7862 -33.8523 -27.7862 21.6743 GPRESSAVG: 3356400 6.10024 -21.3422 -34.2609 -25.3745 8.70524 -28.54 -32.272 -28.4617 22.1188 TIMING: 3356400 CPU: 10487, 0.00318251/step Wall: 10487, 0.00318251/step, 1.45299 hours remaining, 233.539062 MB of memory in use. ENERGY: 3356400 3940.4815 20501.7084 14434.3701 233.5254 -203076.2526 2496.2995 0.0000 0.0000 51918.5516 -109551.3160 298.3766 -161469.8676 -109185.8623 298.9284 186.5918 216.1633 762269.9314 12.3299 12.3081 PRESSURE: 3356600 -80.7357 -54.269 214.693 -54.2691 -122.937 -50.0124 214.693 -50.0136 410.121 GPRESSURE: 3356600 -29.3977 -31.8728 250.745 0.145506 -70.9807 -58.7839 168.633 -75.2301 377.172 PRESSAVG: 3356600 42.1729 -19.486 18.9166 -19.486 -50.4933 9.17113 18.9167 9.17105 28.0609 GPRESSAVG: 3356600 41.514 -19.0957 18.526 -18.2798 -49.479 9.58686 16.3714 8.93659 27.9404 TIMING: 3356600 CPU: 10487.6, 0.00309947/step Wall: 10487.6, 0.00309947/step, 1.41491 hours remaining, 233.539062 MB of memory in use. ENERGY: 3356600 3973.6364 20579.0416 14427.4756 237.9905 -203112.2177 2463.0333 0.0000 0.0000 52053.8458 -109377.1945 299.1542 -161431.0404 -109011.9651 298.6540 68.8163 92.2644 761355.9793 6.5801 6.6585 PRESSURE: 3356800 -106.453 1.88593 60.4906 1.88604 129.407 3.85886 60.4907 3.85843 271.397 GPRESSURE: 3356800 -14.8935 5.41345 97.5537 -23.5305 77.3009 21.6362 -48.3412 -29.729 307.918 PRESSAVG: 3356800 -59.8287 38.3789 10.6531 38.379 30.9617 26.9865 10.6531 26.9866 11.5952 GPRESSAVG: 3356800 -59.0575 37.8037 11.983 38.6963 29.2077 27.2627 12.8968 28.056 12.12 TIMING: 3356800 CPU: 10488.3, 0.00308868/step Wall: 10488.3, 0.00308868/step, 1.40981 hours remaining, 233.539062 MB of memory in use. ENERGY: 3356800 3932.0660 20493.1521 14377.6382 254.7309 -203155.4816 2740.0995 0.0000 0.0000 51929.5987 -109428.1961 298.4401 -161357.7948 -109071.8919 298.9471 98.1170 123.4418 763061.4258 -5.7573 -5.9099 PRESSURE: 3357000 160.696 -72.8942 -366.208 -72.8942 -39.955 158.35 -366.208 158.351 153.481 GPRESSURE: 3357000 198.897 -122.346 -345.282 -86.8832 29.4855 168.05 -426.809 61.1303 131.694 PRESSAVG: 3357000 -21.1975 -24.3602 -59.8001 -24.3603 37.6673 22.8946 -59.8 22.8946 6.6342 GPRESSAVG: 3357000 -20.0056 -24.3172 -60.9443 -25.198 36.7027 21.1709 -61.0931 22.4092 6.31961 TIMING: 3357000 CPU: 10488.9, 0.00311009/step Wall: 10488.9, 0.00311009/step, 1.41941 hours remaining, 233.539062 MB of memory in use. ENERGY: 3357000 3939.1318 20606.4134 14345.2856 255.9766 -203064.0703 2635.0975 0.0000 0.0000 51766.7019 -109515.4636 297.5039 -161282.1655 -109162.6035 298.5551 91.4073 120.0256 762138.1902 7.7013 7.6722 PRESSURE: 3357200 -104.262 -180.952 111.793 -180.952 -158.55 64.8028 111.792 64.8012 -357.686 GPRESSURE: 3357200 -65.3079 -155.268 50.5553 -232.29 -134.433 35.0069 63.6721 100.587 -350.929 PRESSAVG: 3357200 39.6041 -12.6111 19.5402 -12.6111 -69.1488 6.68769 19.5403 6.68773 -9.71669 GPRESSAVG: 3357200 37.619 -12.3401 20.4339 -13.3105 -66.601 8.47717 18.8691 7.7249 -10.2407 TIMING: 3357200 CPU: 10489.5, 0.00311077/step Wall: 10489.5, 0.00311077/step, 1.41955 hours remaining, 233.539062 MB of memory in use. ENERGY: 3357200 3972.0123 20494.6390 14375.3817 249.2517 -202993.2786 2444.0220 0.0000 0.0000 51817.5355 -109640.4364 297.7961 -161457.9719 -109273.1316 298.4172 -206.8327 -183.5566 762692.6510 -13.0871 -13.0743 PRESSURE: 3357400 153.226 235.71 -83.1616 235.71 -31.9702 -45.2784 -83.1619 -45.2785 -2.67053 GPRESSURE: 3357400 248.211 231.312 -49.6305 215.628 -65.4674 33.6973 -179.378 -88.8957 19.0051 PRESSAVG: 3357400 57.7629 -36.4232 1.24383 -36.4232 -51.5018 10.9871 1.24382 10.9872 4.57628 GPRESSAVG: 3357400 58.0922 -36.9618 2.27162 -36.8674 -52.5657 9.52067 0.427805 12.6515 5.38284 TIMING: 3357400 CPU: 10490.1, 0.00308703/step Wall: 10490.1, 0.00308703/step, 1.40854 hours remaining, 233.539062 MB of memory in use. ENERGY: 3357400 4056.4480 20404.3800 14404.3640 260.2933 -203326.0124 2661.0487 0.0000 0.0000 52124.1935 -109415.2849 299.5585 -161539.4784 -109058.1004 299.1043 39.5285 67.2495 760644.4388 3.6125 3.6365 PRESSURE: 3357600 -182.321 -145.487 -1.43784 -145.486 -370.678 -46.2819 -1.43823 -46.2817 148.364 GPRESSURE: 3357600 -103.03 -111.297 30.2049 -109.341 -403.666 -24.5479 -59.8381 -121.276 179.957 PRESSAVG: 3357600 -7.42939 -47.306 3.80346 -47.306 37.3706 -1.59077 3.80348 -1.59068 1.34687 GPRESSAVG: 3357600 -6.24552 -46.8093 1.7049 -46.4436 36.6228 -0.833509 7.68452 -3.19269 1.20036 TIMING: 3357600 CPU: 10490.7, 0.00310451/step Wall: 10490.7, 0.00310451/step, 1.41635 hours remaining, 233.539062 MB of memory in use. ENERGY: 3357600 4022.6417 20468.3601 14368.9202 255.1980 -203543.4201 2743.3783 0.0000 0.0000 51996.4757 -109688.4460 298.8245 -161684.9217 -109327.4591 298.3945 -134.8783 -108.9132 761417.5262 10.4294 10.5259 PRESSURE: 3357800 335.773 130.415 65.663 130.415 153.866 -126.632 65.6617 -126.632 319.793 GPRESSURE: 3357800 485.36 114.257 79.077 145.973 182.836 -73.3674 77.7448 -80.4513 213.18 PRESSAVG: 3357800 2.1589 -14.5442 37.1776 -14.5442 8.70563 -23.8078 37.1776 -23.8078 24.5094 GPRESSAVG: 3357800 2.93373 -14.268 38.1387 -15.4192 8.81558 -23.5307 33.3062 -23.205 23.6977 TIMING: 3357800 CPU: 10491.4, 0.00309277/step Wall: 10491.4, 0.00309277/step, 1.41082 hours remaining, 233.539062 MB of memory in use. ENERGY: 3357800 3920.1307 20510.4431 14434.9299 245.4965 -203797.4670 2765.4895 0.0000 0.0000 52121.0444 -109799.9329 299.5404 -161920.9773 -109441.4168 298.7697 269.8104 293.7919 759758.7135 11.7913 11.8157 PRESSURE: 3358000 62.3993 -83.9553 109.464 -83.9559 -84.0637 52.0662 109.463 52.0671 58.5038 GPRESSURE: 3358000 118.487 -97.5727 175.705 -26.1853 -42.0904 20.5396 45.1533 -62.0124 7.83354 PRESSAVG: 3358000 -7.05796 -53.8442 18.9802 -53.8443 24.8414 45.2234 18.9802 45.2234 -5.6728 GPRESSAVG: 3358000 -7.23614 -53.4555 19.6234 -51.3843 25.1948 44.781 20.0054 44.6787 -6.26793 TIMING: 3358000 CPU: 10492, 0.0031147/step Wall: 10492, 0.00311471/step, 1.42065 hours remaining, 233.539062 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: 3358000 3962.1653 20600.2037 14461.3103 240.2331 -203461.4272 2479.3671 0.0000 0.0000 52045.8011 -109672.3466 299.1079 -161718.1477 -109308.3201 298.6300 12.2798 28.0766 762020.6027 4.0369 3.8969 PRESSURE: 3358200 -7.25599 120.153 -192.683 120.152 109.08 -40.0005 -192.684 -40.0016 -40.7587 GPRESSURE: 3358200 57.6849 101.263 -277.588 166.567 77.0696 -78.9543 -217.995 15.1872 5.28972 PRESSAVG: 3358200 48.3951 -25.0858 -18.25 -25.0857 -4.10544 -1.8002 -18.2501 -1.80019 -11.1482 GPRESSAVG: 3358200 46.9538 -26.7585 -17.6506 -25.5 -3.65389 -1.05165 -17.2686 -0.696303 -10.0081 TIMING: 3358200 CPU: 10492.6, 0.00310514/step Wall: 10492.6, 0.00310514/step, 1.41612 hours remaining, 233.539062 MB of memory in use. ENERGY: 3358200 4078.3242 20447.2237 14424.3083 248.5996 -203288.6228 2661.4958 0.0000 0.0000 51834.9088 -109593.7624 297.8959 -161428.6712 -109235.2284 298.3669 20.3551 46.6814 762390.8455 11.0471 11.0973 PRESSURE: 3358400 107.58 79.4972 234.658 79.4977 103.559 6.02823 234.658 6.02865 -247.875 GPRESSURE: 3358400 164.491 126.09 235.329 -23.4404 150.439 17.5017 190.632 100.189 -267.078 PRESSAVG: 3358400 -35.6028 -5.77831 -54.0294 -5.77833 59.2218 10.3716 -54.0294 10.3717 0.601958 GPRESSAVG: 3358400 -35.072 -4.05783 -55.1771 -7.34229 59.3866 10.5035 -54.3619 10.3521 0.251304 TIMING: 3358400 CPU: 10493.2, 0.0031076/step Wall: 10493.2, 0.0031076/step, 1.41706 hours remaining, 233.539062 MB of memory in use. ENERGY: 3358400 4006.0560 20491.0512 14423.5916 250.7303 -203738.9668 2812.7873 0.0000 0.0000 52006.6456 -109748.1048 298.8829 -161754.7504 -109392.8665 298.2743 -12.2452 15.9504 761035.9667 8.0737 8.1887 PRESSURE: 3358600 -175.207 62.5716 -16.3392 62.5715 -109.281 75.7968 -16.3381 75.7956 184.438 GPRESSURE: 3358600 -178.104 19.4373 -52.0338 105.373 -48.7649 -49.6653 -19.5788 34.0564 196.448 PRESSAVG: 3358600 -6.40241 -54.7171 56.9943 -54.717 6.11483 -6.98492 56.9943 -6.98489 12.8169 GPRESSAVG: 3358600 -6.26344 -57.1805 55.8939 -54.15 6.03463 -8.08644 58.9543 -6.57365 12.9228 TIMING: 3358600 CPU: 10493.8, 0.00311185/step Wall: 10493.8, 0.00311185/step, 1.41883 hours remaining, 233.539062 MB of memory in use. ENERGY: 3358600 3941.4247 20426.2829 14453.6302 266.3398 -203731.6632 2961.3473 0.0000 0.0000 51976.4264 -109706.2120 298.7092 -161682.6383 -109340.6670 298.3888 -33.3500 -10.1405 761816.5790 4.1764 4.2313 PRESSURE: 3358800 -360.901 251.591 -15.8628 251.591 -364.632 25.3223 -15.8628 25.3223 -201.783 GPRESSURE: 3358800 -271.843 326.323 6.6374 384.231 -384.446 63.6989 -31.974 53.6471 -190.528 PRESSAVG: 3358800 -17.7345 -15.0697 31.5874 -15.0697 -10.7397 -42.2619 31.5874 -42.2619 9.43535 GPRESSAVG: 3358800 -19.0331 -14.2058 31.0156 -13.8238 -10.4797 -41.4686 33.3517 -43.5528 9.96902 TIMING: 3358800 CPU: 10494.5, 0.00310422/step Wall: 10494.5, 0.00310422/step, 1.41518 hours remaining, 233.539062 MB of memory in use. ENERGY: 3358800 3953.1184 20573.1283 14467.5944 250.8340 -203422.5180 2514.4660 0.0000 0.0000 51686.9819 -109976.3949 297.0458 -161663.3769 -109617.8857 298.4753 -309.1056 -282.2724 763080.2077 -6.3463 -6.5146 PRESSURE: 3359000 145.941 17.0892 -323.001 17.089 -269.438 -74.0188 -323 -74.0186 -152.61 GPRESSURE: 3359000 55.2069 -57.2478 -274.547 23.5908 -113.864 -136.884 -174.178 -176.186 -144.306 PRESSAVG: 3359000 29.4093 -13.0132 -23.3227 -13.0132 -17.5422 -19.3958 -23.3227 -19.3958 21.5825 GPRESSAVG: 3359000 28.5615 -13.5867 -22.72 -14.1632 -15.8254 -18.097 -26.4004 -20.1893 20.7961 TIMING: 3359000 CPU: 10495.1, 0.00310007/step Wall: 10495.1, 0.00310007/step, 1.41311 hours remaining, 233.539062 MB of memory in use. ENERGY: 3359000 4062.8539 20459.3138 14453.8741 255.0464 -203525.7600 2587.3220 0.0000 0.0000 51786.8641 -109920.4857 297.6198 -161707.3498 -109560.4744 298.3919 -92.0355 -67.6546 760620.3917 11.1499 11.1774 PRESSURE: 3359200 -148.166 -38.5297 100.343 -38.5296 -230.246 -279.198 100.343 -279.198 -316.636 GPRESSURE: 3359200 -176.874 -29.7652 93.6335 -17.5664 -120.048 -349.897 23.7563 -174.627 -302.606 PRESSAVG: 3359200 72.2143 -34.777 -6.8672 -34.777 -58.2781 17.1975 -6.86712 17.1976 -4.2733 GPRESSAVG: 3359200 73.0921 -31.9191 -6.85859 -36.7048 -59.6581 15.5436 -6.41533 18.6338 -3.51472 TIMING: 3359200 CPU: 10495.7, 0.00310281/step Wall: 10495.7, 0.00310281/step, 1.41419 hours remaining, 233.539062 MB of memory in use. ENERGY: 3359200 4017.2468 20421.0384 14439.6761 258.3886 -203396.9541 2428.7581 0.0000 0.0000 52093.7589 -109738.0873 299.3835 -161831.8462 -109372.8425 298.7191 -231.6824 -199.8428 761725.1787 3.2210 3.3064 PRESSURE: 3359400 -161.721 -13.1768 -95.4695 -13.1765 -122.805 123.071 -95.4699 123.071 152.107 GPRESSURE: 3359400 -39.3437 -69.6714 -37.1112 -90.5077 -157.256 49.7724 -77.7987 29.3728 143.875 PRESSAVG: 3359400 56.7037 0.44215 -30.6635 0.44212 -17.0522 -9.44316 -30.6634 -9.44309 -11.4259 GPRESSAVG: 3359400 57.6319 -1.82332 -32.1528 1.22905 -17.2452 -10.191 -28.2168 -9.63638 -12.5241 TIMING: 3359400 CPU: 10496.3, 0.00310235/step Wall: 10496.3, 0.00310235/step, 1.41381 hours remaining, 233.539062 MB of memory in use. ENERGY: 3359400 3997.3959 20623.0711 14338.6059 231.7388 -203390.4674 2664.8107 0.0000 0.0000 51785.1298 -109749.7153 297.6099 -161534.8451 -109384.5603 298.6844 -44.1398 -17.5747 761239.4372 9.4085 9.2875 PRESSURE: 3359600 -112.305 65.8766 345.022 65.8764 -111.175 68.1513 345.022 68.1504 1.77839 GPRESSURE: 3359600 -24.3195 82.6208 286.801 48.8916 -78.1448 -32.6269 245.547 55.2071 -33.7852 PRESSAVG: 3359600 10.6926 -18.4725 34.5932 -18.4725 -14.0227 5.01414 34.5931 5.01415 -1.3747 GPRESSAVG: 3359600 9.82244 -17.6471 36.2984 -17.401 -13.2921 5.24873 33.2765 4.30313 -0.873157 TIMING: 3359600 CPU: 10497, 0.00310527/step Wall: 10497, 0.00310527/step, 1.41497 hours remaining, 233.539062 MB of memory in use. ENERGY: 3359600 4012.6043 20458.1549 14382.0406 240.4227 -203375.1238 2444.6450 0.0000 0.0000 51916.5817 -109920.6747 298.3653 -161837.2563 -109559.6466 298.1045 -73.9005 -45.4165 760796.5885 -1.5683 -1.4476 PRESSURE: 3359800 -149.063 -70.6279 -39.8652 -70.6275 -165.272 -159.171 -39.8645 -159.172 -242.103 GPRESSURE: 3359800 -164.7 -130.503 0.592507 -60.9985 -93.0056 -92.6336 53.7014 -221.757 -206.173 PRESSAVG: 3359800 11.1467 -9.6493 -2.41788 -9.64923 -66.8992 5.21993 -2.41785 5.2199 13.6046 GPRESSAVG: 3359800 12.1619 -10.4008 -4.82454 -10.3118 -68.3459 5.88605 -2.86813 3.27339 14.3247 TIMING: 3359800 CPU: 10497.6, 0.00311776/step Wall: 10497.6, 0.00311776/step, 1.42048 hours remaining, 233.539062 MB of memory in use. ENERGY: 3359800 3909.4002 20456.3633 14358.6068 240.2632 -203693.0695 2692.6906 0.0000 0.0000 52048.0330 -109987.7125 299.1208 -162035.7454 -109633.6808 297.5797 -185.4793 -154.6261 762072.0918 -14.0493 -13.9531 PRESSURE: 3360000 -299.872 -290.995 -91.3193 -290.995 -171.639 -49.9873 -91.32 -49.9867 -454.844 GPRESSURE: 3360000 -344.584 -316.023 -109.387 -175.178 -121.985 -12.5632 -41.5409 9.24272 -377.256 PRESSAVG: 3360000 -4.18875 14.1242 20.5577 14.1242 -17.5049 -17.2047 20.5577 -17.2048 -10.7697 GPRESSAVG: 3360000 -5.49596 14.9909 23.6195 13.2388 -16.6409 -18.9104 21.5472 -13.1463 -10.758 TIMING: 3360000 CPU: 10498.2, 0.00309986/step Wall: 10498.2, 0.00309986/step, 1.41216 hours remaining, 233.539062 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: 3360000 4092.7539 20435.1298 14418.5545 256.6096 -203209.2015 2278.8931 0.0000 0.0000 52018.9021 -109708.3585 298.9533 -161727.2607 -109337.9990 298.0518 -308.7848 -281.2750 763785.4726 -10.8211 -10.9650 PRESSURE: 3360200 -106.509 -91.162 67.1385 -91.1628 -90.8972 -8.38518 67.1387 -8.38514 -478.823 GPRESSURE: 3360200 -160.703 -128.104 103.381 -141.89 -40.2659 -8.08916 134.725 17.9495 -404.383 PRESSAVG: 3360200 -41.4454 -33.251 -13.6208 -33.2509 76.6736 36.9962 -13.6208 36.9961 -18.0881 GPRESSAVG: 3360200 -40.6863 -35.7008 -15.31 -31.6273 77.0154 38.8706 -15.508 33.998 -18.9861 TIMING: 3360200 CPU: 10498.8, 0.00310207/step Wall: 10498.8, 0.00310207/step, 1.41299 hours remaining, 233.539062 MB of memory in use. ENERGY: 3360200 3965.0816 20639.5841 14407.4045 241.1211 -203461.9444 2669.9878 0.0000 0.0000 51743.0501 -109795.7150 297.3680 -161538.7652 -109435.7271 298.4524 -225.4098 -201.7839 763238.3897 5.7134 5.7810 LDB: ============= START OF LOAD BALANCING ============== 10511.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10511.3 LDB: =============== DONE WITH MIGRATION ================ 10511.3 LDB: ============= START OF LOAD BALANCING ============== 10511.6 LDB: Largest compute 7037 load 0.030505 is 15.6% of average load 0.195214 LDB: Average compute 0.004385 is 2.2% of average load 0.195214 LDB: TIME 10511.6 LOAD: AVG 0.195214 MAX 0.21608 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.082 MB LDB: TIME 10511.6 LOAD: AVG 0.195214 MAX 0.21608 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.086 MB LDB: TIME 10511.6 LOAD: AVG 0.195214 MAX 0.21608 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.086 MB LDB: ============== END OF LOAD BALANCING =============== 10511.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10511.6 PRESSURE: 3360400 -6.5515 257.709 -40.0665 257.71 25.5425 4.30924 -40.0663 4.309 -101.929 GPRESSURE: 3360400 -26.1312 231.01 -87.9879 109.311 100.398 35.3539 -20.5514 -95.3977 -71.9982 PRESSAVG: 3360400 -56.4826 -36.6918 -17.8546 -36.6918 23.459 -20.7269 -17.8546 -20.7268 5.66386 GPRESSAVG: 3360400 -57.6427 -36.2058 -18.0076 -36.9919 24.2478 -20.868 -16.4359 -22.3556 6.30794 TIMING: 3360400 CPU: 10499.5, 0.0031714/step Wall: 10499.5, 0.0031714/step, 1.4444 hours remaining, 234.050781 MB of memory in use. ENERGY: 3360400 3972.5882 20439.2526 14465.2152 236.6240 -203303.2791 2655.4823 0.0000 0.0000 51727.8272 -109806.2897 297.2805 -161534.1169 -109439.2833 298.1109 -27.6461 0.7562 761606.0166 -9.1199 -9.0290 PRESSURE: 3360600 -57.8401 58.9577 179.574 58.9584 149.916 5.17784 179.575 5.17675 74.2703 GPRESSURE: 3360600 -16.5005 2.67644 144.102 92.0284 220.169 89.6631 98.0212 -103.955 69.9608 PRESSAVG: 3360600 -24.4831 -16.8208 45.7493 -16.8208 9.93572 28.5178 45.7493 28.5178 26.0162 GPRESSAVG: 3360600 -22.9024 -14.9737 46.3207 -18.3725 9.64417 28.0375 44.9901 29.2551 25.827 TIMING: 3360600 CPU: 10500.1, 0.0031094/step Wall: 10500.1, 0.0031094/step, 1.41599 hours remaining, 234.050781 MB of memory in use. ENERGY: 3360600 3965.9184 20525.8101 14373.5897 231.8675 -203317.6729 2644.4288 0.0000 0.0000 51727.8041 -109848.2543 297.2804 -161576.0584 -109498.0724 298.2179 55.4488 91.2098 761580.7517 3.8229 4.1896 PRESSURE: 3360800 242.39 -223.281 -138.438 -223.281 160.791 -7.22744 -138.439 -7.22756 314.287 GPRESSURE: 3360800 286.194 -175.324 -194.142 -202.968 227.779 26.4229 35.5589 -12.7919 301 PRESSAVG: 3360800 -4.27281 -20.1102 68.8393 -20.1102 -8.46535 15.8902 68.8392 15.8902 -13.7457 GPRESSAVG: 3360800 -5.48864 -19.2599 67.7378 -20.4346 -7.72708 16.4256 69.848 16.9919 -13.521 TIMING: 3360800 CPU: 10500.7, 0.00309218/step Wall: 10500.7, 0.00309218/step, 1.40797 hours remaining, 234.050781 MB of memory in use. ENERGY: 3360800 3976.4854 20518.0062 14477.0602 237.1096 -203709.5785 2917.9769 0.0000 0.0000 51859.0266 -109723.9137 298.0345 -161582.9404 -109378.1239 298.2334 239.1561 271.6576 760903.6116 -8.8280 -8.9122 PRESSURE: 3361000 -150.392 -78.192 8.63393 -78.1916 -262.453 180.829 8.63321 180.828 -173.231 GPRESSURE: 3361000 -145.615 -96.1656 34.9921 -97.1981 -132.098 175.432 -2.04951 183.247 -223.208 PRESSAVG: 3361000 26.4579 -32.9914 17.1038 -32.9914 -3.93064 49.504 17.1038 49.504 15.7295 GPRESSAVG: 3361000 27.6529 -34.6049 16.4382 -31.3943 -4.41057 49.0662 16.1692 48.1251 14.7041 TIMING: 3361000 CPU: 10501.3, 0.00309506/step Wall: 10501.3, 0.00309506/step, 1.40911 hours remaining, 234.050781 MB of memory in use. ENERGY: 3361000 3986.6554 20404.9848 14422.4950 255.4857 -203239.0519 2594.0987 0.0000 0.0000 52095.8905 -109479.4418 299.3958 -161575.3323 -109119.8798 298.8241 -195.3587 -166.9734 761887.6656 12.7522 12.6488 PRESSURE: 3361200 19.7259 109.365 -27.2774 109.366 194.593 -77.8771 -27.2773 -77.8776 361.76 GPRESSURE: 3361200 101.878 112.614 49.1187 82.3126 199.976 -25.089 -85.1121 -66.1635 350.307 PRESSAVG: 3361200 22.5602 18.7188 19.5664 18.7189 -23.1419 27.9347 19.5664 27.9347 -13.4899 GPRESSAVG: 3361200 22.0134 18.7791 22.8205 17.9688 -23.5967 28.0724 18.5023 28.8743 -13.0845 TIMING: 3361200 CPU: 10501.9, 0.00310165/step Wall: 10501.9, 0.00310165/step, 1.41194 hours remaining, 234.050781 MB of memory in use. ENERGY: 3361200 3887.1675 20500.8163 14347.2294 256.2062 -203348.9196 2750.8129 0.0000 0.0000 52133.8746 -109472.8128 299.6141 -161606.6873 -109109.0606 299.0930 192.0261 217.3871 762042.2398 -4.6905 -4.8893 PRESSURE: 3361400 -67.1107 -127.165 -90.2408 -127.164 -19.7828 -61.4462 -90.241 -61.4453 334.119 GPRESSURE: 3361400 -55.0016 -204.708 -58.1058 -53.634 31.8365 -142.162 56.6874 -117.131 350.829 PRESSAVG: 3361400 0.721082 -16.7654 -10.9126 -16.7654 2.97922 10.2081 -10.9126 10.2081 31.2487 GPRESSAVG: 3361400 0.573339 -16.4217 -12.6922 -15.5379 3.33295 8.35769 -9.70141 9.8079 31.2978 TIMING: 3361400 CPU: 10502.6, 0.00310695/step Wall: 10502.6, 0.00310695/step, 1.41418 hours remaining, 234.050781 MB of memory in use. ENERGY: 3361400 3956.2002 20607.3314 14341.2505 251.0237 -203118.0693 2423.6151 0.0000 0.0000 52025.1006 -109513.5477 298.9890 -161538.6483 -109156.2028 298.7010 82.4085 109.2212 761492.8582 11.6497 11.7347 PRESSURE: 3361600 10.0048 26.7235 7.98422 26.7231 110.034 233.832 7.98404 233.832 -80.1298 GPRESSURE: 3361600 53.7794 35.0133 48.3127 -18.2783 198.775 208.773 148.568 166.759 -108.525 PRESSAVG: 3361600 -42.6742 -19.1035 -31.6747 -19.1035 21.7174 -25.3175 -31.6747 -25.3175 -23.5431 GPRESSAVG: 3361600 -44.1654 -19.4241 -31.0185 -20.3456 22.7846 -26.1035 -31.8788 -26.9508 -22.8577 TIMING: 3361600 CPU: 10503.2, 0.00311504/step Wall: 10503.2, 0.00311504/step, 1.41769 hours remaining, 234.050781 MB of memory in use. ENERGY: 3361600 4044.8043 20410.4593 14422.0181 255.1795 -203057.7138 2500.8030 0.0000 0.0000 52052.9894 -109371.4602 299.1492 -161424.4496 -109010.0691 298.8874 13.3029 48.0100 763465.2350 -14.8333 -14.7462 PRESSURE: 3361800 -38.3592 -48.2024 -147.204 -48.201 447.031 89.0154 -147.203 89.0151 100.561 GPRESSURE: 3361800 9.74747 17.4146 -188.571 27.3076 465.155 113.456 -219.617 -12.3639 144.585 PRESSAVG: 3361800 25.3044 -31.239 -24.3307 -31.239 20.1331 12.0166 -24.3307 12.0166 -12.1842 GPRESSAVG: 3361800 26.7137 -29.4159 -26.3564 -32.6664 18.2248 13.5736 -23.0922 14.0138 -11.5366 TIMING: 3361800 CPU: 10503.8, 0.0031084/step Wall: 10503.8, 0.0031084/step, 1.41449 hours remaining, 234.050781 MB of memory in use. ENERGY: 3361800 3959.6615 20285.2545 14433.7083 235.3460 -203383.0878 2884.9509 0.0000 0.0000 52138.6082 -109445.5584 299.6413 -161584.1665 -109082.5837 299.0021 169.7443 206.4958 763432.5561 11.0844 11.1339 PRESSURE: 3362000 89.1615 34.7068 30.2925 34.7064 -12.4995 14.7546 30.2934 14.7549 -118.276 GPRESSURE: 3362000 91.8352 19.366 -20.7234 125.816 12.4151 41.7371 139.843 32.4896 -60.7799 PRESSAVG: 3362000 -26.2366 -37.1863 -21.3848 -37.1864 29.4103 -13.1485 -21.3848 -13.1484 -0.0112327 GPRESSAVG: 3362000 -27.0008 -38.7847 -21.2718 -35.4632 30.8685 -13.2613 -24.2628 -13.3299 -0.543597 TIMING: 3362000 CPU: 10504.4, 0.00311123/step Wall: 10504.4, 0.00311123/step, 1.41561 hours remaining, 234.050781 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: 3362000 4028.1327 20520.7860 14373.9961 255.8525 -203271.1017 2861.9864 0.0000 0.0000 52015.6596 -109214.6883 298.9347 -161230.3480 -108865.1042 299.1533 -13.8713 14.4901 762375.9076 1.0542 1.1080 PRESSURE: 3362200 -159.157 -4.04368 257.433 -4.04394 -59.7699 -168.76 257.431 -168.761 119.348 GPRESSURE: 3362200 -157.377 47.7378 200.371 -34.6364 29.4145 -69.7118 320.649 -87.6438 124.233 PRESSAVG: 3362200 -34.2061 -37.4278 39.9165 -37.4278 35.7041 -3.17774 39.9165 -3.17772 7.61309 GPRESSAVG: 3362200 -33.9665 -36.4653 40.8018 -40.7871 35.9179 -3.87532 42.269 -1.40272 7.81882 TIMING: 3362200 CPU: 10505, 0.00311215/step Wall: 10505, 0.00311215/step, 1.41586 hours remaining, 234.050781 MB of memory in use. ENERGY: 3362200 4031.6690 20504.5922 14317.3571 255.5866 -202762.3503 2514.1255 0.0000 0.0000 51957.4056 -109181.6142 298.5999 -161139.0198 -108829.0541 299.5465 -33.1931 -1.2430 763380.6061 3.0370 3.2567 PRESSURE: 3362400 -37.9116 -262.367 115.461 -262.365 293.183 106.032 115.461 106.033 -175.671 GPRESSURE: 3362400 67.5056 -277.641 142.097 -298.949 263.89 90.8274 165.498 22.4146 -177.768 PRESSAVG: 3362400 -11.9873 -72.6864 67.7351 -72.6864 -9.75572 -8.48338 67.7351 -8.48332 -23.0512 GPRESSAVG: 3362400 -12.0636 -74.0143 68.3064 -69.612 -9.47696 -8.59672 66.7675 -11.0667 -22.9194 TIMING: 3362400 CPU: 10505.7, 0.00311139/step Wall: 10505.7, 0.00311139/step, 1.41534 hours remaining, 234.050781 MB of memory in use. ENERGY: 3362400 4015.6507 20471.7155 14381.3944 242.7972 -203605.2825 3047.5319 0.0000 0.0000 52372.9219 -109073.2710 300.9879 -161446.1929 -108698.4779 299.7428 26.5335 51.2092 762518.5504 -14.9314 -14.8200 PRESSURE: 3362600 -154.402 -127.9 68.9901 -127.901 -326.511 -346.257 68.9902 -346.257 210.332 GPRESSURE: 3362600 -97.6866 -128.277 71.6555 -161.731 -320.527 -207.779 29.2083 -192.073 216.248 PRESSAVG: 3362600 4.51574 -104.058 26.2324 -104.058 -29.4176 -30.9822 26.2324 -30.9821 16.5805 GPRESSAVG: 3362600 5.07855 -103.357 26.1074 -104.836 -30.1507 -30.1321 25.7606 -30.3515 16.6414 TIMING: 3362600 CPU: 10506.3, 0.00310196/step Wall: 10506.3, 0.00310196/step, 1.41088 hours remaining, 234.050781 MB of memory in use. ENERGY: 3362600 4030.0772 20454.9227 14434.4819 255.5161 -203215.2333 2739.7988 0.0000 0.0000 52380.8088 -108919.6278 301.0332 -161300.4367 -108553.7937 300.0545 -90.1936 -67.3220 763187.3642 -2.7738 -2.8102 PRESSURE: 3362800 -452.903 -41.457 -5.64451 -41.4576 -4.23277 270.601 -5.64414 270.601 -216.183 GPRESSURE: 3362800 -340.605 -59.1774 55.0036 5.04064 -13.7957 185.304 -39.0096 116.149 -227.626 PRESSAVG: 3362800 -30.0966 -22.1447 29.54 -22.1447 22.5848 50.1024 29.54 50.1024 -8.63358 GPRESSAVG: 3362800 -30.1101 -22.5043 30.7291 -22.8443 21.901 50.8818 29.9919 49.94 -8.19123 TIMING: 3362800 CPU: 10506.9, 0.00314559/step Wall: 10506.9, 0.00314559/step, 1.43054 hours remaining, 234.050781 MB of memory in use. ENERGY: 3362800 3977.7895 20490.0343 14426.3472 257.1806 -203117.7156 2669.6786 0.0000 0.0000 52203.3222 -109093.3632 300.0132 -161296.6855 -108732.2407 300.3903 -224.4396 -194.0088 763229.1570 -5.3818 -5.4668 PRESSURE: 3363000 228.096 -27.3326 -191.119 -27.3323 211.867 -132.187 -191.119 -132.187 -192.969 GPRESSURE: 3363000 225.156 -86.7837 -181.251 -7.67733 261.15 -99.5591 -266.123 -84.4739 -172.224 PRESSAVG: 3363000 -20.8115 -65.2441 -18.5585 -65.2441 27.0502 9.53103 -18.5585 9.53096 -0.0782898 GPRESSAVG: 3363000 -21.4598 -65.2576 -20.5236 -63.2395 26.6973 8.01314 -17.2998 10.1063 0.109449 TIMING: 3363000 CPU: 10507.5, 0.00310976/step Wall: 10507.5, 0.00310976/step, 1.41408 hours remaining, 234.050781 MB of memory in use. ENERGY: 3363000 3945.0202 20464.3000 14361.2316 241.7866 -203556.9283 2741.4461 0.0000 0.0000 52569.9280 -109233.2157 302.1201 -161803.1438 -108854.7718 300.1776 82.3313 104.6943 761572.9030 2.0535 1.7823 PRESSURE: 3363200 -90.0643 31.9046 -122.965 31.905 -16.018 -109.911 -122.965 -109.909 -87.1594 GPRESSURE: 3363200 -57.9957 -13.8162 -89.4723 72.2891 18.2195 -94.1477 -49.4528 -162.481 -51.6204 PRESSAVG: 3363200 -40.3263 -36.5966 -18.2648 -36.5966 19.2291 49.4135 -18.2648 49.4134 15.8241 GPRESSAVG: 3363200 -40.2975 -36.2628 -18.4947 -37.9857 19.6944 48.743 -19.3684 49.7443 14.9988 TIMING: 3363200 CPU: 10508.2, 0.00308683/step Wall: 10508.2, 0.00308683/step, 1.40348 hours remaining, 234.050781 MB of memory in use. ENERGY: 3363200 3919.1171 20446.0649 14414.7516 246.2717 -203495.9131 2754.2921 0.0000 0.0000 52409.9781 -109305.4377 301.2009 -161715.4158 -108941.6251 299.3548 -64.4139 -30.4655 761981.6013 -1.7577 -1.8681 PRESSURE: 3363400 -561.957 161.667 -76.0021 161.666 -531.464 90.3628 -76.0024 90.3634 -111.666 GPRESSURE: 3363400 -497.689 125.319 -69.9416 59.0202 -429.056 91.0916 -39.3698 140.146 -195.443 PRESSAVG: 3363400 -62.1636 -49.5668 3.14459 -49.5668 41.7697 11.7512 3.14461 11.7512 -12.4873 GPRESSAVG: 3363400 -62.1607 -49.5148 3.70683 -49.6568 40.9508 13.0403 3.90926 11.6593 -11.6552 TIMING: 3363400 CPU: 10508.8, 0.00310341/step Wall: 10508.8, 0.00310341/step, 1.41084 hours remaining, 234.050781 MB of memory in use. ENERGY: 3363400 4068.0087 20576.7142 14395.5999 252.2962 -202959.5778 2125.7621 0.0000 0.0000 52230.7656 -109310.4313 300.1709 -161541.1969 -108947.0269 299.8123 -401.6958 -374.0629 762853.2766 -10.9604 -10.9550 PRESSURE: 3363600 56.3523 38.3805 -136.133 38.3816 145.126 24.9252 -136.133 24.9251 -42.5046 GPRESSURE: 3363600 114.439 60.0179 -39.502 100.012 99.0876 -49.0469 -143.171 77.1298 30.4529 PRESSAVG: 3363600 19.9387 5.01766 32.1563 5.01774 -28.7748 -5.39597 32.1563 -5.39604 1.49882 GPRESSAVG: 3363600 19.5317 4.78107 32.1341 6.42306 -27.9238 -5.5517 30.7577 -5.54444 1.01456 TIMING: 3363600 CPU: 10509.4, 0.00308642/step Wall: 10509.4, 0.00308642/step, 1.40295 hours remaining, 234.050781 MB of memory in use. ENERGY: 3363600 4007.3232 20455.7392 14452.9216 258.8049 -203071.8593 2597.2778 0.0000 0.0000 51970.3135 -109329.4790 298.6741 -161299.7925 -108976.0150 299.5631 52.9911 81.3264 761509.8383 -2.4458 -2.4592 PRESSURE: 3363800 166.853 34.5306 -120.007 34.5309 -62.4326 -3.3809 -120.008 -3.38106 146.229 GPRESSURE: 3363800 151.827 102.812 -206.589 -64.3228 4.0435 -85.799 -102.835 123.677 185.241 PRESSAVG: 3363800 -2.20027 -9.48204 -1.366 -9.48209 -12.6496 28.7568 -1.36606 28.7567 -7.32104 GPRESSAVG: 3363800 -3.68048 -10.4173 -1.16287 -9.27205 -12.4912 28.8513 -1.55737 28.3657 -5.98454 TIMING: 3363800 CPU: 10510, 0.00309774/step Wall: 10510, 0.00309773/step, 1.40792 hours remaining, 234.050781 MB of memory in use. ENERGY: 3363800 3994.0975 20607.4220 14362.4819 261.0011 -203208.7821 2688.2247 0.0000 0.0000 52019.5777 -109275.9773 298.9572 -161295.5549 -108924.9627 299.4064 83.5500 113.7038 762137.2525 -7.3903 -7.3854 PRESSURE: 3364000 -65.9215 -40.5441 -56.5416 -40.5438 -12.8331 13.559 -56.5413 13.5585 -128.505 GPRESSURE: 3364000 -26.5785 -65.7607 -62.6383 -70.7694 22.952 -12.7142 36.6019 -130.675 -110.864 PRESSAVG: 3364000 0.176367 -4.86333 -26.6497 -4.86332 -28.0728 -52.1616 -26.6497 -52.1616 22.1685 GPRESSAVG: 3364000 -0.238839 -4.3966 -27.4791 -6.09843 -26.4143 -53.9236 -23.7841 -52.3441 21.1604 TIMING: 3364000 CPU: 10510.6, 0.00310808/step Wall: 10510.6, 0.00310808/step, 1.41245 hours remaining, 234.050781 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: 3364000 3984.0418 20572.4910 14378.9738 252.9464 -202883.7858 2371.2314 0.0000 0.0000 52308.7377 -109015.3637 300.6190 -161324.1014 -108652.9927 299.8493 -69.0864 -38.1634 763388.9139 -1.9093 -1.8309 PRESSURE: 3364200 280.605 -61.8447 -354.014 -61.8449 -36.5568 122.136 -354.014 122.138 27.6295 GPRESSURE: 3364200 256.564 -73.6656 -260.098 -100.516 22.2194 154.064 -313.978 73.1377 69.1538 PRESSAVG: 3364200 22.6174 -24.8729 -50.1965 -24.8729 -46.4141 6.64603 -50.1965 6.64603 -19.136 GPRESSAVG: 3364200 23.5593 -24.8258 -49.4999 -24.1497 -47.2495 8.20911 -52.9544 6.24457 -19.0659 TIMING: 3364200 CPU: 10511.3, 0.00309845/step Wall: 10511.3, 0.00309845/step, 1.4079 hours remaining, 234.050781 MB of memory in use. ENERGY: 3364200 3902.0734 20498.4540 14335.5549 264.0045 -202789.5982 2591.3663 0.0000 0.0000 51812.6628 -109385.4822 297.7681 -161198.1450 -109028.6995 299.4058 90.5592 115.9790 763421.3108 -14.3109 -14.2520 LDB: ============= START OF LOAD BALANCING ============== 10523.7 LDB: ============== END OF LOAD BALANCING =============== 10523.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10523.7 LDB: ============= START OF LOAD BALANCING ============== 10524 LDB: Largest compute 7031 load 0.029197 is 15.0% of average load 0.195105 LDB: Average compute 0.004387 is 2.2% of average load 0.195105 LDB: TIME 10524 LOAD: AVG 0.195105 MAX 0.217394 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.309 MB LDB: TIME 10524 LOAD: AVG 0.195105 MAX 0.217394 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.309 MB LDB: TIME 10524 LOAD: AVG 0.195105 MAX 0.217394 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.309 MB LDB: ============== END OF LOAD BALANCING =============== 10524 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10524.1 PRESSURE: 3364400 -89.7586 -48.7902 -202.239 -48.7894 279.863 -74.3445 -202.239 -74.3446 -21.5107 GPRESSURE: 3364400 42.6096 -104.115 -139.01 -25.0913 225.006 -82.8408 -271.857 -69.7022 -5.12122 PRESSAVG: 3364400 36.553 13.279 -32.707 13.279 -7.94129 -3.58696 -32.707 -3.587 17.0681 GPRESSAVG: 3364400 37.1471 14.6595 -32.0902 12.6896 -8.74838 -3.79803 -32.8201 -5.00967 17.0769 TIMING: 3364400 CPU: 10511.9, 0.00317004/step Wall: 10511.9, 0.00317004/step, 1.44026 hours remaining, 234.820312 MB of memory in use. ENERGY: 3364400 4056.0287 20408.6009 14461.4105 251.9429 -203172.8724 2669.7107 0.0000 0.0000 51945.9536 -109379.2251 298.5341 -161325.1787 -109025.2559 298.8971 56.1978 87.4981 762709.3930 15.2266 15.1586 PRESSURE: 3364600 22.2629 -150.995 -114.412 -150.996 250.842 23.4359 -114.411 23.4361 130.693 GPRESSURE: 3364600 75.0096 -220.686 -155.144 -92.5561 237.967 9.90041 -94.544 3.66026 179.19 PRESSAVG: 3364600 -3.726 9.99334 -32.1182 9.99334 -10.0365 -0.763065 -32.1182 -0.763081 21.6773 GPRESSAVG: 3364600 -3.37617 9.21721 -31.2709 10.228 -9.73434 -0.485067 -32.0593 0.588153 21.3435 TIMING: 3364600 CPU: 10512.5, 0.00310662/step Wall: 10512.5, 0.00310662/step, 1.41127 hours remaining, 234.820312 MB of memory in use. ENERGY: 3364600 3929.3986 20498.0666 14345.3492 237.2494 -203273.8099 2955.3477 0.0000 0.0000 51968.8537 -109339.5447 298.6657 -161308.3984 -108988.1040 298.9802 134.5991 164.0553 761142.2908 2.6383 2.7443 PRESSURE: 3364800 -42.1089 -59.0553 -134.578 -59.0548 -171.529 -129.847 -134.578 -129.848 -1.17398 GPRESSURE: 3364800 -63.4348 50.0639 -132.289 -76.7411 -90.8757 -131.951 -67.8677 -272.319 19.7936 PRESSAVG: 3364800 49.9785 13.1098 7.12772 13.1099 -21.6006 -6.37232 7.12774 -6.37232 5.07164 GPRESSAVG: 3364800 49.6846 13.4898 6.19562 12.031 -21.8019 -6.92947 7.71093 -6.16598 4.88668 TIMING: 3364800 CPU: 10513.1, 0.00310945/step Wall: 10513.1, 0.00310945/step, 1.41238 hours remaining, 234.820312 MB of memory in use. ENERGY: 3364800 4020.0105 20433.2251 14418.3841 237.4516 -203489.1348 2907.2287 0.0000 0.0000 52021.4799 -109451.3549 298.9682 -161472.8348 -109077.0541 299.4974 -71.6041 -44.8390 761395.6462 11.1499 10.9231 PRESSURE: 3365000 -286.977 146.711 -197.513 146.712 185.412 142.262 -197.512 142.262 7.90839 GPRESSURE: 3365000 -224.013 84.0454 -195.776 58.7819 235.412 221.992 -235.508 69.4347 -22.3358 PRESSAVG: 3365000 4.11709 0.809783 -27.357 0.80981 -25.5844 -9.98618 -27.357 -9.9862 0.591867 GPRESSAVG: 3365000 3.77268 0.81785 -28.0529 -0.637709 -25.1973 -10.1833 -29.1867 -9.54685 0.605041 TIMING: 3365000 CPU: 10513.7, 0.00309277/step Wall: 10513.7, 0.00309277/step, 1.40463 hours remaining, 234.820312 MB of memory in use. ENERGY: 3365000 3994.5453 20610.8032 14502.3017 229.9628 -203417.1186 2611.2307 0.0000 0.0000 52085.9097 -109382.3652 299.3384 -161468.2749 -109019.4446 299.3661 -31.2188 -3.6457 760579.6075 -6.9585 -6.9399 PRESSURE: 3365200 -303.709 117.895 61.2688 117.894 -306.119 30.011 61.2686 30.0115 -281.774 GPRESSURE: 3365200 -263.629 130.913 103.896 70.0099 -249.146 43.8218 167.96 115.56 -293.938 PRESSAVG: 3365200 -35.7034 25.626 -29.3785 25.6261 -5.30776 61.4383 -29.3785 61.4384 -15.7607 GPRESSAVG: 3365200 -34.4048 23.7835 -28.957 28.1963 -5.50989 61.4834 -28.9025 59.4278 -16.5839 TIMING: 3365200 CPU: 10514.4, 0.00311092/step Wall: 10514.4, 0.00311091/step, 1.4127 hours remaining, 234.820312 MB of memory in use. ENERGY: 3365200 4041.6590 20704.3061 14456.4355 257.9703 -203415.5785 2699.1350 0.0000 0.0000 51976.1372 -109279.9354 298.7076 -161256.0726 -108914.6995 300.0104 -297.2007 -268.9043 761394.8036 -18.9240 -18.8329 PRESSURE: 3365400 307.926 -148.152 -155.259 -148.152 -4.05525 -77.4907 -155.258 -77.4911 -166.326 GPRESSURE: 3365400 398.3 -183.476 -275.835 -107.24 -32.8064 -105.25 42.7568 -48.3989 -146.187 PRESSAVG: 3365400 16.6256 -11.9369 14.8263 -11.9369 -15.6298 40.6692 14.8263 40.6691 22.1612 GPRESSAVG: 3365400 16.1126 -11.8454 13.9622 -11.7769 -15.5582 41.5091 15.5401 42.4325 22.2975 TIMING: 3365400 CPU: 10515, 0.00309694/step Wall: 10515, 0.00309694/step, 1.40618 hours remaining, 234.820312 MB of memory in use. ENERGY: 3365400 3989.6670 20785.4226 14478.4943 265.4593 -203204.8080 2511.2072 0.0000 0.0000 51746.4338 -109428.1238 297.3875 -161174.5576 -109072.2895 299.2695 45.8483 73.1021 760363.9282 7.7190 7.6173 PRESSURE: 3365600 -172.608 -73.8005 11.5492 -73.8004 -586.777 -93.6252 11.5493 -93.6252 -249.461 GPRESSURE: 3365600 -210.107 -86.5566 -25.0686 -100.63 -429.059 -187.329 -52.9926 -101.498 -299.516 PRESSAVG: 3365600 -17.8823 -0.00772144 23.6467 -0.00767052 9.22709 -20.2048 23.6467 -20.2048 -25.5479 GPRESSAVG: 3365600 -19.934 0.871882 25.1568 -0.899681 9.74581 -20.9173 22.438 -21.9243 -24.1132 TIMING: 3365600 CPU: 10515.6, 0.00309413/step Wall: 10515.6, 0.00309413/step, 1.40473 hours remaining, 234.820312 MB of memory in use. ENERGY: 3365600 4041.4054 20587.6820 14429.7956 236.4718 -203167.1065 2294.2602 0.0000 0.0000 52206.1008 -109371.3907 300.0292 -161577.4915 -109002.9351 299.0688 -336.2820 -312.8939 759940.6148 -11.4010 -11.4338 PRESSURE: 3365800 -262.573 98.6844 -154.804 98.6852 -126.923 211.865 -154.804 211.866 -127.676 GPRESSURE: 3365800 -148.974 17.0027 -112.387 58.8948 -157.511 159.218 -22.5098 115.223 -128.989 PRESSAVG: 3365800 -6.47743 1.79969 28.5337 1.79967 21.4164 -10.6212 28.5337 -10.6213 -12.1572 GPRESSAVG: 3365800 -4.96107 1.97062 27.7199 2.01774 20.8648 -10.4954 30.1676 -12.1179 -13.0308 TIMING: 3365800 CPU: 10516.2, 0.00309655/step Wall: 10516.2, 0.00309655/step, 1.40566 hours remaining, 234.820312 MB of memory in use. ENERGY: 3365800 4044.7813 20607.6994 14422.5295 260.2432 -203312.8349 2748.9220 0.0000 0.0000 51928.6130 -109300.0464 298.4345 -161228.6594 -108944.2736 299.1266 -172.3907 -145.1580 760769.1217 0.9273 0.9576 PRESSURE: 3366000 98.4472 41.8178 -156.976 41.8178 -32.9489 -144.502 -156.975 -144.503 119.538 GPRESSURE: 3366000 198.237 130.532 -248.69 81.2334 -49.9462 -128.755 -156.624 -139.067 115.227 PRESSAVG: 3366000 23.2175 75.6261 -7.35499 75.626 -22.3543 -17.0507 -7.35498 -17.0507 39.565 GPRESSAVG: 3366000 22.5183 76.486 -6.54625 75.8068 -22.1567 -16.9365 -7.61274 -13.9942 39.9966 TIMING: 3366000 CPU: 10516.8, 0.00310254/step Wall: 10516.8, 0.00310254/step, 1.40821 hours remaining, 234.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3366000 3976.6374 20486.3841 14440.5449 256.7636 -203220.2721 2560.4724 0.0000 0.0000 52183.8557 -109315.6140 299.9013 -161499.4697 -108955.1092 299.5335 61.6788 87.8393 760631.8559 13.4761 13.4527 PRESSURE: 3366200 -91.4084 -166.036 46.2983 -166.036 36.5435 96.7616 46.298 96.761 -207.193 GPRESSURE: 3366200 10.7872 -182.46 28.0008 -48.7933 24.329 8.90905 -74.7352 67.8026 -197.286 PRESSAVG: 3366200 -5.67142 -1.20487 8.1784 -1.20485 -22.252 -26.7844 8.17841 -26.7843 19.3622 GPRESSAVG: 3366200 -5.12663 -1.21286 6.80371 0.0807993 -23.2087 -26.6721 7.42069 -26.9777 19.1524 TIMING: 3366200 CPU: 10517.5, 0.00309618/step Wall: 10517.5, 0.00309618/step, 1.40515 hours remaining, 234.820312 MB of memory in use. ENERGY: 3366200 3961.1317 20680.9623 14436.2837 248.4113 -203028.0914 2436.3628 0.0000 0.0000 52123.5227 -109141.4170 299.5546 -161264.9397 -108780.5489 299.2000 -87.3528 -54.0567 761457.8983 -2.8537 -3.0610 PRESSURE: 3366400 74.0022 38.0824 -10.2181 38.083 -5.09451 -249.498 -10.2192 -249.499 158.475 GPRESSURE: 3366400 204.249 58.05 -16.9652 35.4905 115.989 -125.451 174.913 -200.042 -3.71617 PRESSAVG: 3366400 -41.59 18.5257 4.34086 18.5258 -8.21905 -1.21522 4.34092 -1.21526 1.27518 GPRESSAVG: 3366400 -40.5359 17.6484 3.50494 19.0575 -8.11001 0.203657 8.18084 -0.87853 0.158698 TIMING: 3366400 CPU: 10518.1, 0.00311589/step Wall: 10518.1, 0.00311589/step, 1.41392 hours remaining, 234.820312 MB of memory in use. ENERGY: 3366400 3963.5409 20291.1786 14459.6145 247.8066 -203415.4957 2825.7715 0.0000 0.0000 52225.8738 -109401.7098 300.1428 -161627.5835 -109026.5301 299.6371 75.7944 105.5073 760877.4966 -16.1779 -16.1624 PRESSURE: 3366600 197.877 -158.277 -122.434 -158.276 -63.7679 222.499 -122.435 222.499 -286.41 GPRESSURE: 3366600 134.303 -205.536 -139.206 -137.029 -4.66481 110.956 -55.7241 17.1308 -170.101 PRESSAVG: 3366600 65.4304 -9.69097 -29.8445 -9.69089 -39.7504 -26.8245 -29.8445 -26.8245 13.1133 GPRESSAVG: 3366600 64.642 -9.58439 -28.3368 -9.91595 -39.8463 -28.2489 -31.6122 -28.034 14.3615 TIMING: 3366600 CPU: 10518.7, 0.00310629/step Wall: 10518.7, 0.00310629/step, 1.40939 hours remaining, 234.820312 MB of memory in use. ENERGY: 3366600 3962.3029 20436.2199 14446.3769 247.5877 -203006.9422 2530.4336 0.0000 0.0000 52113.3997 -109270.6215 299.4964 -161384.0212 -108897.1986 299.3721 -50.7671 -13.4877 760681.0895 12.9311 13.0524 PRESSURE: 3366800 -236.17 29.7323 198.629 29.7309 -253.485 6.4389 198.628 6.43883 -424.922 GPRESSURE: 3366800 -195.926 -85.8671 160.091 -10.1621 -203.519 109.518 160.634 -54.6259 -430.692 PRESSAVG: 3366800 -64.1812 -5.80736 26.7669 -5.80738 24.9728 -36.078 26.7669 -36.078 -7.50913 GPRESSAVG: 3366800 -64.2776 -6.30876 26.8806 -8.67731 24.0339 -34.5216 24.2559 -34.6561 -6.66361 TIMING: 3366800 CPU: 10519.3, 0.00309787/step Wall: 10519.3, 0.00309787/step, 1.4054 hours remaining, 234.820312 MB of memory in use. ENERGY: 3366800 3994.5430 20424.0142 14439.8814 239.7943 -202994.5421 2290.4067 0.0000 0.0000 52102.1345 -109503.7681 299.4317 -161605.9025 -109135.9484 299.0477 -304.8590 -276.7122 762504.7514 -15.5725 -15.6358 PRESSURE: 3367000 81.5823 95.0822 28.4102 95.081 -54.3555 -98.0927 28.4096 -98.0916 263.23 GPRESSURE: 3367000 40.1551 71.6555 18.173 168.134 53.1202 -21.0758 -1.22256 -197.175 294.856 PRESSAVG: 3367000 37.4634 36.7216 20.9172 36.7217 -57.1517 -19.6571 20.9172 -19.6571 9.43035 GPRESSAVG: 3367000 36.4848 36.6333 18.4831 39.6313 -54.9871 -21.864 24.0255 -21.6872 8.43409 TIMING: 3367000 CPU: 10519.9, 0.00309348/step Wall: 10519.9, 0.00309348/step, 1.40324 hours remaining, 234.820312 MB of memory in use. ENERGY: 3367000 3961.4936 20569.5506 14472.3429 241.2972 -203416.0893 2979.5402 0.0000 0.0000 51851.2808 -109340.5840 297.9900 -161191.8649 -108984.1076 298.7579 96.8189 129.3771 762722.2860 -3.4193 -3.3561 PRESSURE: 3367200 -102.414 -102.467 71.8464 -102.468 101.569 233.719 71.8463 233.72 66.3127 GPRESSURE: 3367200 -58.5964 -144.684 127.763 -85.2176 171.476 258.51 161.598 127.976 20.2784 PRESSAVG: 3367200 36.053 -16.1257 -30.5782 -16.1257 -4.65194 45.1927 -30.5783 45.1927 -21.1177 GPRESSAVG: 3367200 36.5383 -17.0339 -27.4082 -15.2369 -4.54386 45.6094 -32.1299 46.1056 -21.5828 TIMING: 3367200 CPU: 10520.6, 0.0031018/step Wall: 10520.6, 0.0031018/step, 1.40684 hours remaining, 234.820312 MB of memory in use. ENERGY: 3367200 3895.6981 20547.7208 14449.8586 272.8442 -203672.3009 2840.8019 0.0000 0.0000 52047.9944 -109617.3829 299.1205 -161665.3773 -109253.7660 298.8572 21.8224 44.3861 762068.9519 3.4278 3.4706 PRESSURE: 3367400 -312.423 -193.372 -155.373 -193.37 -325.631 13.3632 -155.373 13.3628 31.1539 GPRESSURE: 3367400 -262.919 -21.2407 -22.7473 -125.39 -288.697 23.0702 -129.475 -112.693 28.9588 PRESSAVG: 3367400 -32.1943 -57.223 -34.5134 -57.223 22.5267 30.223 -34.5133 30.223 -5.87788 GPRESSAVG: 3367400 -33.207 -55.6065 -35.8781 -60.2847 22.6508 29.7917 -33.421 30.5581 -5.05734 TIMING: 3367400 CPU: 10521.2, 0.00309278/step Wall: 10521.2, 0.00309278/step, 1.40257 hours remaining, 234.820312 MB of memory in use. ENERGY: 3367400 4045.0201 20467.1853 14390.1158 223.8573 -203253.3811 2579.5883 0.0000 0.0000 51750.5187 -109797.0957 297.4109 -161547.6143 -109438.7801 298.2384 -202.3000 -174.2191 762177.9980 -5.1818 -5.2045 PRESSURE: 3367600 -191.187 -165.826 18.1671 -165.825 94.6749 -38.3292 18.1676 -38.328 -56.6483 GPRESSURE: 3367600 -170.173 -226.584 -30.3825 -162.129 141.463 15.3236 76.6312 -68.7112 -56.3257 PRESSAVG: 3367600 -53.4378 -101.093 -0.746793 -101.093 21.3853 14.3204 -0.746791 14.3205 -0.824005 GPRESSAVG: 3367600 -52.0281 -100.333 -0.891769 -100.642 21.0715 14.8356 -0.368808 13.7912 -1.68057 TIMING: 3367600 CPU: 10521.8, 0.00310119/step Wall: 10521.8, 0.00310119/step, 1.40622 hours remaining, 234.820312 MB of memory in use. ENERGY: 3367600 3987.4126 20342.9113 14350.6808 267.9190 -203735.8275 2942.2525 0.0000 0.0000 51975.3487 -109869.3025 298.7030 -161844.6512 -109495.9395 298.0992 -51.0533 -28.3450 762042.5872 -10.9588 -10.8791 PRESSURE: 3367800 -59.0239 -31.5352 -72.017 -31.5352 -45.5841 -76.787 -72.0173 -76.7879 45.5243 GPRESSURE: 3367800 -39.961 -58.8816 -113.019 -51.3957 -1.50127 -76.2739 -110.01 -90.6041 72.1985 PRESSAVG: 3367800 13.3397 -44.3482 17.2947 -44.3482 -43.8027 34.2153 17.2947 34.2153 20.5595 GPRESSAVG: 3367800 13.4733 -45.5743 17.0169 -44.075 -43.8307 35.335 17.0436 34.8677 20.8611 TIMING: 3367800 CPU: 10522.4, 0.00312665/step Wall: 10522.4, 0.00312665/step, 1.41759 hours remaining, 234.820312 MB of memory in use. ENERGY: 3367800 3941.3255 20500.5359 14429.3137 245.2605 -202929.5714 2471.8913 0.0000 0.0000 51557.1067 -109784.1378 296.2994 -161341.2445 -109417.5775 298.0432 -19.6945 10.2454 761921.1588 -3.3012 -3.1654 PRESSURE: 3368000 -296.381 -3.81551 -132.538 -3.81465 -447.14 107.753 -132.539 107.753 -95.7873 GPRESSURE: 3368000 -350.794 59.3821 -162.223 -58.6458 -448.175 70.4858 -156.475 162.107 35.1073 PRESSAVG: 3368000 50.4003 -30.6694 5.93277 -30.6694 -35.9981 -51.5344 5.9328 -51.5345 6.50345 GPRESSAVG: 3368000 50.7504 -31.3722 5.32252 -29.4545 -37.8858 -52.1306 5.33649 -52.0249 7.52117 TIMING: 3368000 CPU: 10523.1, 0.00309098/step Wall: 10523.1, 0.00309098/step, 1.40125 hours remaining, 234.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3368000 4035.4756 20476.5237 14342.3882 246.1178 -203071.4770 2417.5570 0.0000 0.0000 51826.6720 -109726.7426 297.8486 -161553.4147 -109381.2754 298.2379 -279.7696 -254.6206 762267.0209 6.9686 6.7952 PRESSURE: 3368200 -99.9169 99.4025 -1.81147 99.4012 -122.695 -65.2422 -1.81075 -65.2435 -238.329 GPRESSURE: 3368200 -42.7395 32.3441 -1.25162 65.8347 -126.754 -124.669 44.6648 30.2006 -210.876 PRESSAVG: 3368200 -18.9584 -32.8961 -76.039 -32.8961 38.5101 -43.2721 -76.0389 -43.272 -31.7831 GPRESSAVG: 3368200 -19.0331 -31.54 -76.012 -35.3777 40.9512 -43.2255 -74.6975 -43.3961 -33.776 TIMING: 3368200 CPU: 10523.7, 0.00309983/step Wall: 10523.7, 0.00309983/step, 1.40508 hours remaining, 234.820312 MB of memory in use. ENERGY: 3368200 4071.2816 20465.1268 14342.4976 229.0145 -203258.2945 2501.7343 0.0000 0.0000 52015.1285 -109633.5112 298.9317 -161648.6397 -109275.0715 298.2087 -153.6471 -126.7896 762109.7170 -4.0771 -3.9526 LDB: ============= START OF LOAD BALANCING ============== 10536.1 LDB: ============== END OF LOAD BALANCING =============== 10536.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10536.1 LDB: ============= START OF LOAD BALANCING ============== 10536.5 LDB: Largest compute 7007 load 0.028988 is 14.8% of average load 0.195218 LDB: Average compute 0.004369 is 2.2% of average load 0.195218 LDB: TIME 10536.5 LOAD: AVG 0.195218 MAX 0.214922 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.539 MB LDB: TIME 10536.5 LOAD: AVG 0.195218 MAX 0.214922 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.539 MB LDB: TIME 10536.5 LOAD: AVG 0.195218 MAX 0.214922 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.539 MB LDB: ============== END OF LOAD BALANCING =============== 10536.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10536.5 PRESSURE: 3368400 94.142 -164.696 -195.472 -164.696 -57.6602 203.209 -195.472 203.207 -90.3192 GPRESSURE: 3368400 18.6875 -138.239 -171.375 -66.1 62.5457 165.297 -56.7211 100.962 -64.5741 PRESSAVG: 3368400 -51.1479 -58.5317 -55.443 -58.5318 31.1359 -14.8503 -55.443 -14.8503 3.72355 GPRESSAVG: 3368400 -51.3297 -57.622 -53.8067 -58.5294 30.4626 -15.2893 -57.7895 -14.8463 4.63354 TIMING: 3368400 CPU: 10524.3, 0.00316434/step Wall: 10524.3, 0.00316434/step, 1.43415 hours remaining, 235.335938 MB of memory in use. ENERGY: 3368400 4028.4025 20327.4910 14427.2536 247.9453 -203334.5785 2740.5166 0.0000 0.0000 52157.9356 -109405.0341 299.7524 -161562.9696 -109042.7178 298.1886 -17.9458 5.5530 763001.3938 -5.4295 -5.4112 PRESSURE: 3368600 -117.845 -268.02 62.4881 -268.021 -134.543 -218.833 62.4877 -218.835 -140.285 GPRESSURE: 3368600 -159.694 -212.945 100.121 -110.684 -29.5063 -204.901 94.724 -279.33 -120.089 PRESSAVG: 3368600 14.2319 -42.4545 -69.1901 -42.4546 20.7888 -39.7518 -69.1902 -39.7517 13.2517 GPRESSAVG: 3368600 14.0993 -44.4764 -69.8085 -39.9863 19.5457 -40.7167 -66.5207 -39.7887 14.794 TIMING: 3368600 CPU: 10524.9, 0.00309514/step Wall: 10524.9, 0.00309514/step, 1.40262 hours remaining, 235.335938 MB of memory in use. ENERGY: 3368600 3958.9075 20369.3086 14478.0183 251.3236 -203010.5198 2566.8816 0.0000 0.0000 51975.0812 -109410.9990 298.7015 -161386.0803 -109046.6893 299.0910 -130.8910 -103.0963 763329.0518 16.0908 16.1463 PRESSURE: 3368800 -185.081 51.393 -149.957 51.392 216.242 -255.598 -149.956 -255.599 -264.474 GPRESSURE: 3368800 -200.549 29.392 -147.359 178.405 308.482 -195.883 -133.031 -214.565 -263.859 PRESSAVG: 3368800 53.1156 10.8567 -25.0406 10.8567 -37.9532 -14.6262 -25.0407 -14.6262 2.51607 GPRESSAVG: 3368800 52.6097 11.6835 -26.6398 10.7492 -36.85 -11.7422 -26.5119 -15.7848 1.38979 TIMING: 3368800 CPU: 10525.5, 0.00309506/step Wall: 10525.5, 0.00309506/step, 1.40241 hours remaining, 235.335938 MB of memory in use. ENERGY: 3368800 4013.4991 20526.4915 14454.7392 266.6491 -203335.6765 2614.0255 0.0000 0.0000 52157.3905 -109302.8816 299.7492 -161460.2720 -108936.9128 299.6088 -77.7712 -51.9755 759481.3104 5.8928 5.7165 PRESSURE: 3369000 340.432 -182.866 77.4765 -182.867 192.78 9.89254 77.4765 9.89383 -281.701 GPRESSURE: 3369000 419.322 -129.334 60.3841 -251.339 150.95 -18.4719 162.676 17.0422 -230.26 PRESSAVG: 3369000 -29.4521 8.80226 -45.4604 8.80225 9.66691 -46.0449 -45.4604 -46.0448 -8.80932 GPRESSAVG: 3369000 -28.9548 9.23859 -44.2034 8.67276 9.51128 -47.2736 -46.9303 -45.4865 -9.247 TIMING: 3369000 CPU: 10526.2, 0.0030911/step Wall: 10526.2, 0.0030911/step, 1.40044 hours remaining, 235.335938 MB of memory in use. ENERGY: 3369000 4058.7815 20466.1421 14468.9650 247.5368 -203333.5942 2521.1661 0.0000 0.0000 52173.1667 -109397.8359 299.8399 -161571.0026 -109044.2134 299.4733 83.8371 113.3374 760867.5664 -9.5315 -9.5635 PRESSURE: 3369200 -309.491 -260.75 154.684 -260.75 -228.678 15.6599 154.685 15.6594 180.725 GPRESSURE: 3369200 -263.69 -276.443 111.425 -267.137 -128.996 -2.52342 218.966 -96.8907 132.649 PRESSAVG: 3369200 -19.9389 -34.9833 -8.64241 -34.9833 -2.26998 -28.265 -8.6424 -28.265 0.287358 GPRESSAVG: 3369200 -19.3062 -34.3636 -9.02468 -35.9196 -2.01036 -30.651 -7.50313 -27.711 -0.372727 TIMING: 3369200 CPU: 10526.8, 0.00310308/step Wall: 10526.8, 0.00310308/step, 1.40569 hours remaining, 235.335938 MB of memory in use. ENERGY: 3369200 4049.4082 20550.5745 14393.2400 249.5914 -203357.6673 2484.7338 0.0000 0.0000 52124.1503 -109505.9692 299.5582 -161630.1195 -109148.8030 298.9418 -119.1480 -86.6790 762387.8948 -7.3072 -7.2297 PRESSURE: 3369400 -12.4781 -29.0388 -3.00707 -29.0389 -251.394 117.217 -3.00673 117.218 84.4076 GPRESSURE: 3369400 80.4739 59.4185 47.6973 20.9336 -210.712 41.9213 -75.9689 147.866 48.1488 PRESSAVG: 3369400 -7.01757 10.2887 10.4429 10.2886 15.3402 -13.4218 10.4429 -13.4218 -26.6339 GPRESSAVG: 3369400 -7.37017 8.57111 12.2901 11.8224 17.4269 -11.8189 9.799 -14.2065 -28.2971 TIMING: 3369400 CPU: 10527.4, 0.00310758/step Wall: 10527.4, 0.00310758/step, 1.40756 hours remaining, 235.335938 MB of memory in use. ENERGY: 3369400 4086.1243 20531.2271 14442.8502 247.3611 -203820.3206 2972.0839 0.0000 0.0000 52124.9699 -109415.7042 299.5629 -161540.6741 -109048.4854 299.0673 -59.8216 -27.3632 763595.6381 -6.1037 -6.0801 PRESSURE: 3369600 -75.5594 101.882 218.836 101.883 -214.392 -147.64 218.836 -147.64 -304.822 GPRESSURE: 3369600 -70.1684 -123.807 77.2542 18.9807 -182.075 -137.15 204.763 -41.5954 -269.808 PRESSAVG: 3369600 30.5855 -70.0867 -12.4518 -70.0866 8.0151 -34.2064 -12.4518 -34.2065 -9.38231 GPRESSAVG: 3369600 30.3954 -71.1847 -13.0744 -71.1457 6.53268 -32.0325 -11.6053 -34.2823 -7.81927 TIMING: 3369600 CPU: 10528, 0.00310338/step Wall: 10528, 0.00310338/step, 1.40549 hours remaining, 235.335938 MB of memory in use. ENERGY: 3369600 4002.9224 20524.2309 14415.9849 249.5198 -203434.3976 2663.4598 0.0000 0.0000 52259.3880 -109318.8918 300.3354 -161578.2798 -108943.1022 299.4189 -198.2575 -174.0172 762443.8104 9.7394 9.7029 PRESSURE: 3369800 -123.449 81.391 -133.457 81.3913 -99.3349 31.8187 -133.457 31.8195 75.6509 GPRESSURE: 3369800 -147.728 117.185 -98.4981 101.845 -57.763 30.3468 -37.8728 -36.9723 134.383 PRESSAVG: 3369800 -19.5567 -66.1119 46.8279 -66.1119 -24.6073 -32.866 46.8278 -32.8659 -11.0792 GPRESSAVG: 3369800 -20.7252 -64.5795 46.3841 -67.41 -24.9928 -35.2376 47.9406 -32.5245 -9.89224 TIMING: 3369800 CPU: 10528.6, 0.00311075/step Wall: 10528.6, 0.00311075/step, 1.40865 hours remaining, 235.335938 MB of memory in use. ENERGY: 3369800 3889.4209 20388.5942 14451.5886 236.7190 -203186.3709 2737.2984 0.0000 0.0000 52152.4283 -109330.3215 299.7207 -161482.7498 -108957.6832 299.5250 -49.0444 -23.7025 762549.3240 -18.4144 -18.5367 PRESSURE: 3370000 70.1656 90.1321 -62.2287 90.1314 -131.383 -101.914 -62.2279 -101.913 272.734 GPRESSURE: 3370000 -0.399131 218.69 -144.683 85.0556 28.8269 -169.248 -35.6866 -113.251 261.234 PRESSAVG: 3370000 7.46275 -6.16112 -4.94752 -6.16109 -23.8993 20.3457 -4.94741 20.3458 5.87287 GPRESSAVG: 3370000 8.77851 -4.80695 -5.06243 -5.57849 -23.3777 22.1123 -5.78273 20.4413 3.91342 TIMING: 3370000 CPU: 10529.3, 0.00309199/step Wall: 10529.3, 0.00309199/step, 1.39999 hours remaining, 235.335938 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: 3370000 3964.1694 20451.4266 14443.5988 243.8783 -203374.7726 2714.9466 0.0000 0.0000 52359.7393 -109197.0137 300.9121 -161556.7530 -108827.0078 299.5233 70.5057 96.5539 761980.2800 -3.5212 -3.5619 PRESSURE: 3370200 -102.869 -71.1586 102.527 -71.1584 -217.922 -118.144 102.526 -118.144 300.609 GPRESSURE: 3370200 -26.3292 -59.7459 54.4786 -182.23 -231.735 -48.7567 109.968 -119.945 306.346 PRESSAVG: 3370200 2.56743 -2.6083 5.8404 -2.60832 -32.9624 13.1317 5.84039 13.1317 4.63072 GPRESSAVG: 3370200 2.80164 -3.08847 4.55119 -3.18831 -34.0583 13.1386 7.2893 12.5259 5.43143 TIMING: 3370200 CPU: 10529.9, 0.00308348/step Wall: 10529.9, 0.00308348/step, 1.39596 hours remaining, 235.335938 MB of memory in use. ENERGY: 3370200 3906.0618 20772.6603 14446.4175 243.9995 -203125.9036 2590.5653 0.0000 0.0000 52026.6918 -109139.5073 298.9981 -161166.1992 -108784.6242 299.9439 -6.7275 16.0942 762151.9609 -8.5881 -8.6084 PRESSURE: 3370400 128.724 127.869 -94.3483 127.87 -96.4494 -0.451338 -94.3488 -0.451137 -151.299 GPRESSURE: 3370400 110.661 10.4116 -116.476 234.736 -42.58 -31.5465 -65.0229 28.7777 -116.762 PRESSAVG: 3370400 17.0602 25.6838 6.9876 25.6839 -41.9671 18.2345 6.98759 18.2346 -9.13689 GPRESSAVG: 3370400 16.9858 24.0717 7.84623 28.3801 -41.5044 17.3257 5.50025 19.5092 -9.14523 TIMING: 3370400 CPU: 10530.5, 0.00310689/step Wall: 10530.5, 0.00310688/step, 1.40638 hours remaining, 235.335938 MB of memory in use. ENERGY: 3370400 4062.4850 20527.9415 14418.5894 249.0160 -203203.8031 2583.3316 0.0000 0.0000 52086.3619 -109276.0777 299.3410 -161362.4395 -108908.8748 300.0690 -39.6748 -16.2270 761616.7865 -11.3479 -11.2213 PRESSURE: 3370600 -255.067 -57.255 89.4665 -57.2551 -44.6909 201.397 89.4664 201.397 14.2185 GPRESSURE: 3370600 -249.714 -41.1878 104.079 -64.6878 -32.7643 182.381 94.6099 159.466 73.984 PRESSAVG: 3370600 -11.9835 18.0986 -1.86246 18.0986 22.4878 6.62784 -1.86244 6.62782 5.25624 GPRESSAVG: 3370600 -11.6602 18.5809 -3.13375 17.7089 23.5739 8.73675 -1.68005 4.91139 4.27608 TIMING: 3370600 CPU: 10531.1, 0.00309077/step Wall: 10531.1, 0.00309077/step, 1.39892 hours remaining, 235.335938 MB of memory in use. ENERGY: 3370600 4050.1368 20584.8055 14402.1982 235.8349 -203065.1580 2730.9292 0.0000 0.0000 52088.3474 -108972.9060 299.3524 -161061.2534 -108618.0789 300.0776 -95.1798 -69.4981 762381.2171 5.2535 5.3966 PRESSURE: 3370800 -28.3813 333.547 20.166 333.548 -349.796 -199.147 20.1661 -199.148 -421.598 GPRESSURE: 3370800 115.112 291.857 74.8052 269.244 -369.853 -143.496 52.9884 -254.058 -446.79 PRESSAVG: 3370800 9.50631 58.0311 -24.3775 58.0311 -20.692 63.2819 -24.3776 63.2819 14.291 GPRESSAVG: 3370800 9.27072 56.6809 -22.6282 55.2854 -20.2605 63.0051 -25.0298 61.4368 14.6214 TIMING: 3370800 CPU: 10531.7, 0.0030941/step Wall: 10531.7, 0.0030941/step, 1.40025 hours remaining, 235.335938 MB of memory in use. ENERGY: 3370800 4035.8634 20607.4042 14407.7035 244.1721 -202835.4303 2559.0998 0.0000 0.0000 52004.8528 -108976.3345 298.8726 -160981.1873 -108613.6079 299.5558 -266.5917 -233.8438 762685.1255 1.0351 1.2105 PRESSURE: 3371000 97.3993 -112.488 121.556 -112.489 -2.73867 -11.1693 121.557 -11.1685 63.1175 GPRESSURE: 3371000 140.79 -126.759 93.7743 -184.934 -16.7692 -62.5602 95.3243 -24.7954 96.3008 PRESSAVG: 3371000 -43.977 -0.886927 -9.80244 -0.886961 2.70892 -14.9063 -9.80245 -14.9063 -2.84072 GPRESSAVG: 3371000 -43.8399 -1.35086 -9.74569 0.368433 2.52117 -14.7364 -9.11488 -13.1225 -2.37771 TIMING: 3371000 CPU: 10532.4, 0.00310315/step Wall: 10532.4, 0.00310315/step, 1.40417 hours remaining, 235.335938 MB of memory in use. ENERGY: 3371000 3965.9367 20645.6032 14402.4137 251.2090 -202432.7317 2316.9420 0.0000 0.0000 51880.9440 -108969.6831 298.1605 -160850.6271 -108617.6285 299.8296 52.5927 73.4407 762709.7675 -14.7029 -14.5655 PRESSURE: 3371200 123.336 1.20292 48.525 1.20311 -292.584 192.42 48.524 192.42 204.232 GPRESSURE: 3371200 192.243 67.3796 10.0933 76.828 -254.517 208.466 -61.0333 99.6826 188.712 PRESSAVG: 3371200 -69.0524 -8.32852 -47.8741 -8.3285 97.5197 39.225 -47.8741 39.2251 11.861 GPRESSAVG: 3371200 -68.3645 -6.6601 -48.404 -8.60674 95.9344 37.4002 -49.8909 39.4334 12.3239 TIMING: 3371200 CPU: 10533, 0.00310029/step Wall: 10533, 0.00310029/step, 1.40271 hours remaining, 235.335938 MB of memory in use. ENERGY: 3371200 3974.0472 20735.7640 14427.7661 242.3019 -203330.7281 2803.6364 0.0000 0.0000 52160.3847 -108986.8277 299.7664 -161147.2125 -108640.5239 299.4953 11.6613 42.1457 762427.8830 13.4428 13.2979 PRESSURE: 3371400 94.1434 -231.662 37.883 -231.662 310.028 16.549 37.8833 16.5499 10.7471 GPRESSURE: 3371400 142.495 -170.09 51.4079 -214.886 363.692 -64.2866 142.758 53.6322 -7.04307 PRESSAVG: 3371400 -8.82394 -13.7761 -18.6936 -13.7761 26.601 -0.267707 -18.6936 -0.267638 16.4596 GPRESSAVG: 3371400 -10.8326 -13.8516 -19.8196 -12.443 27.3643 0.271843 -19.6048 1.69229 17.5007 TIMING: 3371400 CPU: 10533.6, 0.00311311/step Wall: 10533.6, 0.00311311/step, 1.40834 hours remaining, 235.335938 MB of memory in use. ENERGY: 3371400 3913.1166 20703.4350 14412.6583 272.7430 -202988.2886 2525.5339 0.0000 0.0000 52104.6811 -109056.1205 299.4463 -161160.8016 -108692.1514 299.8851 138.3062 166.3812 760854.4214 11.4122 11.3441 PRESSURE: 3371600 -510.485 191.38 -99.7273 191.379 -163.589 135.09 -99.7278 135.09 -263.142 GPRESSURE: 3371600 -417.374 85.8345 -134.419 176.627 -78.2612 123.735 -2.82859 -72.4807 -377.427 PRESSAVG: 3371600 -6.19107 10.3449 -5.80013 10.3449 -9.12271 -14.017 -5.80002 -14.017 4.05999 GPRESSAVG: 3371600 -4.40988 8.01071 -3.54726 9.6446 -9.16951 -13.926 -2.83104 -17.4543 2.08956 TIMING: 3371600 CPU: 10534.2, 0.0030978/step Wall: 10534.2, 0.0030978/step, 1.40124 hours remaining, 235.335938 MB of memory in use. ENERGY: 3371600 4013.2169 20511.3429 14413.6755 244.3707 -203063.8682 2389.8464 0.0000 0.0000 52222.3759 -109269.0400 300.1227 -161491.4158 -108911.5867 299.3170 -312.4051 -291.0209 760935.3560 -3.7513 -3.8299 PRESSURE: 3371800 -242.45 -109.736 3.25276 -109.736 -60.0722 42.3576 3.25244 42.3596 77.5039 GPRESSURE: 3371800 -180.082 -13.9866 13.4029 -13.3319 -30.1785 14.1219 21.4008 -46.555 96.8681 PRESSAVG: 3371800 -26.7723 -6.58792 30.1718 -6.58796 22.3118 -48.6532 30.1718 -48.6532 -8.354 GPRESSAVG: 3371800 -26.1245 -6.02068 27.7764 -6.66543 21.0813 -49.5544 29.8149 -48.1507 -7.67975 TIMING: 3371800 CPU: 10534.8, 0.00309023/step Wall: 10534.8, 0.00309023/step, 1.39764 hours remaining, 235.335938 MB of memory in use. ENERGY: 3371800 4051.8640 20565.7588 14425.8926 242.1000 -203586.4487 2877.4272 0.0000 0.0000 52107.5072 -109315.8989 299.4626 -161423.4061 -108943.5897 299.6096 -75.0063 -37.7976 761303.0576 -4.2715 -4.2410 PRESSURE: 3372000 -173.747 150.99 51.7723 150.99 60.3456 -72.4861 51.7732 -72.4864 26.7106 GPRESSURE: 3372000 -102.216 152.233 12.8485 56.3911 54.2673 -32.005 -53.5007 -41.4152 53.8954 PRESSAVG: 3372000 -30.3464 -44.8791 -10.0221 -44.8792 17.6359 10.0981 -10.022 10.0981 -0.913401 GPRESSAVG: 3372000 -32.4266 -42.8545 -9.69216 -47.0618 18.5571 11.4336 -11.867 12.9023 0.392285 TIMING: 3372000 CPU: 10535.5, 0.00310199/step Wall: 10535.5, 0.00310199/step, 1.40279 hours remaining, 235.335938 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: 3372000 4090.0852 20648.8055 14404.6719 245.9995 -203353.2650 2613.8693 0.0000 0.0000 52147.8949 -109201.9388 299.6947 -161349.8338 -108832.4723 299.8011 -28.8969 1.9823 761871.1334 -4.5413 -4.4924 PRESSURE: 3372200 -254.881 -186.317 4.41039 -186.318 -51.8799 -192.517 4.40991 -192.518 207.784 GPRESSURE: 3372200 -158.668 -41.9877 -14.0681 -205.5 -55.8489 -245.158 -40.5012 -291.684 210.047 PRESSAVG: 3372200 -45.3016 9.4948 39.411 9.4948 59.0659 -97.2877 39.4109 -97.2877 0.285627 GPRESSAVG: 3372200 -45.4292 8.66434 39.7963 10.9633 59.0701 -98.6598 39.5617 -99.4443 0.044999 TIMING: 3372200 CPU: 10536.1, 0.00307677/step Wall: 10536.1, 0.00307677/step, 1.39121 hours remaining, 235.335938 MB of memory in use. ENERGY: 3372200 4006.5199 20666.4014 14430.2746 256.0060 -203303.0655 2681.7405 0.0000 0.0000 52201.6782 -109060.4447 300.0038 -161262.1229 -108696.6880 300.2594 -32.9923 -1.4901 761946.1188 4.6833 4.5620 LDB: ============= START OF LOAD BALANCING ============== 10548.5 LDB: ============== END OF LOAD BALANCING =============== 10548.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10548.6 LDB: ============= START OF LOAD BALANCING ============== 10548.9 LDB: Largest compute 7031 load 0.028416 is 14.6% of average load 0.195221 LDB: Average compute 0.004371 is 2.2% of average load 0.195221 LDB: TIME 10548.9 LOAD: AVG 0.195221 MAX 0.215055 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.023 MB LDB: TIME 10548.9 LOAD: AVG 0.195221 MAX 0.215055 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.094 MB LDB: TIME 10548.9 LOAD: AVG 0.195221 MAX 0.215055 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.094 MB LDB: ============== END OF LOAD BALANCING =============== 10548.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10548.9 PRESSURE: 3372400 34.0895 41.8111 120.83 41.8101 124.073 90.2597 120.83 90.26 500.339 GPRESSURE: 3372400 69.4213 5.34734 103.065 48.879 226.651 64.036 22.9826 95.7322 439.15 PRESSAVG: 3372400 -46.245 -12.6634 -0.679864 -12.6633 57.4394 -31.675 -0.679834 -31.675 23.0147 GPRESSAVG: 3372400 -45.7419 -11.6239 -1.57118 -11.2131 58.1852 -31.0647 -1.55866 -30.08 22.4233 TIMING: 3372400 CPU: 10536.7, 0.00315703/step Wall: 10536.7, 0.00315703/step, 1.42733 hours remaining, 235.085938 MB of memory in use. ENERGY: 3372400 4046.4008 20520.2462 14387.3100 241.3212 -203675.4853 3129.6669 0.0000 0.0000 52136.2123 -109214.3280 299.6275 -161350.5403 -108854.4852 299.9176 219.5005 245.0739 762377.4768 11.4030 11.6222 PRESSURE: 3372600 2.2793 192.471 69.0591 192.471 313.08 110.912 69.0598 110.912 215.654 GPRESSURE: 3372600 27.0682 263.175 134.507 228.949 297.243 159.858 192.123 56.6352 276.68 PRESSAVG: 3372600 -88.4706 -44.7871 5.1862 -44.787 42.3274 -31.9539 5.18629 -31.9538 -8.42111 GPRESSAVG: 3372600 -89.0652 -44.0054 6.17809 -48.2452 42.0601 -32.3464 6.77403 -34.7517 -7.64167 TIMING: 3372600 CPU: 10537.3, 0.00309887/step Wall: 10537.3, 0.00309887/step, 1.40086 hours remaining, 235.085938 MB of memory in use. ENERGY: 3372600 4061.1190 20630.0066 14354.6815 245.1963 -203669.7579 3099.8091 0.0000 0.0000 52056.0668 -109222.8786 299.1669 -161278.9454 -108861.7769 299.1514 177.0042 200.3305 763373.9486 -18.1881 -18.2156 PRESSURE: 3372800 -31.1018 -46.6951 -236.71 -46.6941 86.0375 -152.687 -236.711 -152.686 80.3904 GPRESSURE: 3372800 -49.9946 -64.832 -155.988 -55.4982 78.7644 -231.8 -105.027 -78.6934 195.401 PRESSAVG: 3372800 -15.5982 -11.7805 -17.3096 -11.7805 37.6669 15.409 -17.3096 15.4089 1.48734 GPRESSAVG: 3372800 -13.0368 -14.0594 -17.913 -7.9195 35.632 13.9037 -16.1969 16.5243 0.565202 TIMING: 3372800 CPU: 10537.9, 0.00310041/step Wall: 10537.9, 0.00310041/step, 1.40139 hours remaining, 235.085938 MB of memory in use. ENERGY: 3372800 4038.5309 20786.7394 14372.4171 241.1764 -203361.0024 2601.9370 0.0000 0.0000 51965.5882 -109354.6135 298.6469 -161320.2017 -108999.5628 299.6295 45.1087 74.7237 762671.4525 7.8520 7.7201 PRESSURE: 3373000 -76.4468 -110.548 -301.821 -110.548 -91.7996 -62.2653 -301.82 -62.2663 -298.413 GPRESSURE: 3373000 -89.9351 -42.0265 -264.043 -119.389 -58.4773 -111.018 -240.623 -50.1652 -222.55 PRESSAVG: 3373000 -53.7012 2.56958 3.04374 2.56959 85.2634 -26.0482 3.04373 -26.0482 -19.2031 GPRESSAVG: 3373000 -55.8773 2.55216 4.13951 0.585643 87.3741 -24.7093 2.30412 -25.021 -18.8743 TIMING: 3373000 CPU: 10538.6, 0.00309982/step Wall: 10538.6, 0.00309982/step, 1.40095 hours remaining, 235.085938 MB of memory in use. ENERGY: 3373000 4094.1954 20462.1699 14364.2762 239.2614 -202871.6642 2609.1373 0.0000 0.0000 51881.8750 -109220.7489 298.1658 -161102.6239 -108854.2989 299.1594 -155.5531 -123.6540 763895.1878 4.1197 4.2075 PRESSURE: 3373200 -228.176 30.8452 140.161 30.8454 -142.244 -402.915 140.161 -402.914 541.085 GPRESSURE: 3373200 -123.854 5.45867 161.423 21.3475 -74.503 -388.903 35.626 -324.732 453.37 PRESSAVG: 3373200 -3.22505 -8.75903 4.27274 -8.75898 -21.3858 -15.5409 4.27275 -15.5409 9.94395 GPRESSAVG: 3373200 -3.18752 -7.9086 2.70189 -9.22449 -22.0663 -14.0243 4.13772 -16.3847 11.1533 TIMING: 3373200 CPU: 10539.2, 0.00308319/step Wall: 10539.2, 0.00308319/step, 1.39326 hours remaining, 235.085938 MB of memory in use. ENERGY: 3373200 3902.1148 20585.1106 14338.8519 249.0304 -203727.4031 2892.3160 0.0000 0.0000 52280.5883 -109479.3912 300.4573 -161759.9794 -109108.5424 299.3636 56.8883 85.0041 762252.2058 -4.8890 -4.7002 PRESSURE: 3373400 -126.85 13.6735 20.8122 13.6731 -106.449 -26.1667 20.8128 -26.167 -463.557 GPRESSURE: 3373400 -103.625 -56.2654 19.0314 -40.3621 -74.3395 -13.9463 28.9789 -110.224 -443.853 PRESSAVG: 3373400 31.4605 -29.7112 -32.4631 -29.7111 -9.86618 -11.1621 -32.4631 -11.1621 -5.42155 GPRESSAVG: 3373400 30.2106 -27.9686 -33.7462 -31.4746 -9.64334 -11.4401 -32.8886 -10.0398 -4.6425 TIMING: 3373400 CPU: 10539.8, 0.00308394/step Wall: 10539.8, 0.00308394/step, 1.39343 hours remaining, 235.085938 MB of memory in use. ENERGY: 3373400 4030.1745 20594.2169 14412.1822 248.8069 -203638.1697 2849.5307 0.0000 0.0000 52106.0302 -109397.2284 299.4541 -161503.2586 -109038.6221 299.2010 -232.2854 -207.2723 763903.2657 5.3909 5.3082 PRESSURE: 3373600 -425.785 -188.583 -35.9139 -188.583 -292.29 144.007 -35.9137 144.007 46.7443 GPRESSURE: 3373600 -230.164 -170.787 32.0599 -199.844 -339.38 89.6737 -15.1081 190.544 -28.6921 PRESSAVG: 3373600 -26.2767 -85.0593 42.2287 -85.0593 11.2758 -13.8569 42.2287 -13.857 23.1541 GPRESSAVG: 3373600 -24.8417 -85.2543 43.943 -83.4028 10.719 -14.2006 41.809 -15.0361 22.2211 TIMING: 3373600 CPU: 10540.4, 0.00309807/step Wall: 10540.4, 0.00309807/step, 1.39964 hours remaining, 235.085938 MB of memory in use. ENERGY: 3373600 4027.8638 20505.2298 14400.2087 237.1039 -203371.0519 2712.4865 0.0000 0.0000 52132.0250 -109356.1341 299.6035 -161488.1591 -108989.8972 299.3433 -223.7769 -199.4121 765040.3434 2.7177 2.6995 PRESSURE: 3373800 -187.429 -96.1813 -175.985 -96.1816 -181.891 -98.6008 -175.984 -98.6004 -509.212 GPRESSURE: 3373800 -185.658 1.23557 -204.158 -121.201 -128.438 -22.7225 -67.3914 -196.563 -458.624 PRESSAVG: 3373800 -34.8445 -90.8892 -9.14157 -90.8892 24.8869 15.7816 -9.14157 15.7816 -17.2079 GPRESSAVG: 3373800 -35.452 -92.9954 -7.98622 -90.4859 26.0559 16.5023 -7.70102 17.6382 -17.484 TIMING: 3373800 CPU: 10541, 0.00308679/step Wall: 10541, 0.00308679/step, 1.39437 hours remaining, 235.085938 MB of memory in use. ENERGY: 3373800 4003.4063 20561.6286 14414.7176 241.5377 -203380.5831 2744.4980 0.0000 0.0000 52089.5241 -109325.2710 299.3592 -161414.7950 -108965.1173 299.1541 -292.8441 -257.5736 765222.0218 -9.0551 -8.9600 PRESSURE: 3374000 -64.1302 -20.4067 12.2802 -20.4066 211.045 29.3914 12.2801 29.3909 283.207 GPRESSURE: 3374000 1.41349 -106.69 -15.591 27.3486 201.742 21.4509 -89.2764 -85.5978 300.913 PRESSAVG: 3374000 38.7656 -20.2353 -41.2529 -20.2353 -4.5654 51.0517 -41.2529 51.0516 -9.48661 GPRESSAVG: 3374000 38.1936 -20.1592 -44.7747 -20.9201 -4.60395 48.7333 -42.377 51.4115 -9.22717 TIMING: 3374000 CPU: 10541.7, 0.00310529/step Wall: 10541.7, 0.00310529/step, 1.40256 hours remaining, 235.085938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3374000 3998.4690 20474.4310 14430.3605 253.1662 -203615.3640 3027.8931 0.0000 0.0000 52244.7797 -109186.2645 300.2515 -161431.0442 -108825.9051 299.1510 143.3738 168.0230 762577.3796 8.2379 8.1208 PRESSURE: 3374200 -170.182 -25.4075 -43.5867 -25.4076 137.702 61.4249 -43.5877 61.4236 -14.2552 GPRESSURE: 3374200 -91.8841 -80.1779 -88.0682 -11.7031 142.3 39.039 -20.9854 -36.3275 6.39115 PRESSAVG: 3374200 6.78796 -39.2397 -4.57422 -39.2397 21.8608 -18.3708 -4.5743 -18.3709 16.9906 GPRESSAVG: 3374200 6.97337 -39.248 -2.68618 -39.5221 22.2946 -16.0604 -4.56113 -20.7507 16.6052 TIMING: 3374200 CPU: 10542.3, 0.00308797/step Wall: 10542.3, 0.00308797/step, 1.39456 hours remaining, 235.085938 MB of memory in use. ENERGY: 3374200 4030.9178 20580.6311 14472.1829 245.5060 -203370.6251 2743.3604 0.0000 0.0000 52116.3780 -109181.6488 299.5135 -161298.0269 -108821.2392 299.4369 -15.5787 18.9357 765814.6139 15.2131 15.2911 PRESSURE: 3374400 -144.032 19.713 -72.4569 19.7128 -225.175 283.051 -72.4574 283.051 133.987 GPRESSURE: 3374400 -124.591 -37.5219 -31.1678 74.5349 -173.79 273.584 -221.804 186.102 160.534 PRESSAVG: 3374400 -19.3226 55.1051 17.5439 55.1051 -11.1906 -18.7138 17.5439 -18.7138 -0.325531 GPRESSAVG: 3374400 -18.9771 55.8573 17.1118 56.5208 -11.7289 -20.6477 17.0557 -17.15 -0.346662 TIMING: 3374400 CPU: 10542.9, 0.00308227/step Wall: 10542.9, 0.00308227/step, 1.39182 hours remaining, 235.085938 MB of memory in use. ENERGY: 3374400 4037.9504 20483.3102 14459.2525 265.0535 -203399.9072 2823.3203 0.0000 0.0000 51900.7540 -109430.2663 298.2743 -161331.0203 -109061.3335 299.4873 -78.4066 -45.9489 762183.2810 -10.2796 -10.3509 PRESSURE: 3374600 193.069 -417.614 -73.035 -417.612 -142.507 69.2436 -73.0344 69.2437 -312.597 GPRESSURE: 3374600 110.022 -346.111 -61.0105 -234.016 -17.1021 32.9252 -15.9811 -2.42515 -237.7 PRESSAVG: 3374600 -24.6594 14.6039 -6.34857 14.6039 50.3309 -36.502 -6.34862 -36.502 -2.04161 GPRESSAVG: 3374600 -25.4157 14.3414 -6.93354 13.5125 50.0669 -35.6696 -7.30765 -36.5053 -0.716413 TIMING: 3374600 CPU: 10543.5, 0.00309227/step Wall: 10543.5, 0.00309227/step, 1.39616 hours remaining, 235.085938 MB of memory in use. ENERGY: 3374600 4036.3324 20503.0076 14437.5568 239.3774 -203639.0361 3002.4042 0.0000 0.0000 52059.6395 -109360.7181 299.1875 -161420.3576 -108998.4407 299.2401 -87.3450 -48.2600 761586.1556 7.8766 7.9783 PRESSURE: 3374800 -52.3948 -251.449 41.6816 -251.45 73.7812 18.2119 41.6815 18.2123 65.986 GPRESSURE: 3374800 88.1332 -263.259 -7.84305 -240.89 -18.98 71.7677 9.38211 41.2309 82.2998 PRESSAVG: 3374800 -23.3943 17.633 5.30721 17.6331 -7.38607 -68.1497 5.30714 -68.1496 -6.84287 GPRESSAVG: 3374800 -23.994 18.1829 5.45193 20.11 -7.64201 -68.3444 8.11285 -68.4939 -6.02054 TIMING: 3374800 CPU: 10544.1, 0.00309496/step Wall: 10544.1, 0.00309496/step, 1.3972 hours remaining, 235.085938 MB of memory in use. ENERGY: 3374800 4120.8247 20573.4141 14441.9994 225.3832 -203892.5717 2931.9339 0.0000 0.0000 52010.4025 -109588.6139 298.9045 -161599.0164 -109230.8781 298.9142 29.1242 50.4843 761692.1824 -12.5411 -12.5522 PRESSURE: 3375000 -481.436 212.953 -6.10041 212.954 243.141 1.51965 -6.10043 1.51865 -231.733 GPRESSURE: 3375000 -427.352 154.325 51.2331 224.012 275.868 -31.8714 50.5315 -72.4189 -242.716 PRESSAVG: 3375000 -0.380296 -8.60174 -15.5356 -8.6017 -24.4983 0.212614 -15.5356 0.212666 -6.22865 GPRESSAVG: 3375000 1.46495 -7.51654 -13.8615 -11.1075 -24.6206 0.353391 -18.1034 0.0379956 -7.82791 TIMING: 3375000 CPU: 10544.7, 0.00309593/step Wall: 10544.7, 0.00309593/step, 1.39747 hours remaining, 235.085938 MB of memory in use. ENERGY: 3375000 4011.1785 20480.3769 14381.1478 238.1453 -203721.4913 3000.3805 0.0000 0.0000 51814.3548 -109795.9074 297.7778 -161610.2622 -109433.5021 298.5642 -156.6758 -131.3997 762644.8209 -10.3691 -10.3278 PRESSURE: 3375200 -260.888 140.772 -143.868 140.772 -398.974 101.004 -143.868 101.003 -134.544 GPRESSURE: 3375200 -299.545 174.365 -89.1426 60.9034 -274.555 86.6794 -78.2575 183.292 -135.051 PRESSAVG: 3375200 -26.2146 15.1733 29.4834 15.1733 16.2954 -7.92617 29.4835 -7.92615 5.46577 GPRESSAVG: 3375200 -26.6551 13.6568 28.8087 16.8068 16.128 -5.91983 30.0027 -11.6151 5.94249 TIMING: 3375200 CPU: 10545.4, 0.00309564/step Wall: 10545.4, 0.00309564/step, 1.39717 hours remaining, 235.085938 MB of memory in use. ENERGY: 3375200 3922.0370 20475.3657 14366.0751 251.7219 -203491.2152 2545.5279 0.0000 0.0000 52267.7201 -109662.7675 300.3833 -161930.4876 -109294.7157 298.7655 -264.8021 -236.3837 761938.6702 -1.4845 -1.5282 PRESSURE: 3375400 -183.047 94.7006 -88.2321 94.7003 -124.59 -12.3304 -88.2323 -12.3312 -83.6709 GPRESSURE: 3375400 -126.896 157.283 -121.684 110.674 -77.5337 7.94887 11.5581 -33.8718 -96.1928 PRESSAVG: 3375400 -15.7381 4.54862 5.44182 4.54861 12.2669 1.07098 5.44181 1.07093 11.7092 GPRESSAVG: 3375400 -15.8465 6.64227 4.99195 3.993 13.3885 -0.291833 5.01158 7.10871 10.7735 TIMING: 3375400 CPU: 10546, 0.0031069/step Wall: 10546, 0.0031069/step, 1.40208 hours remaining, 235.085938 MB of memory in use. ENERGY: 3375400 4000.8997 20417.4494 14354.7763 251.4483 -203094.2818 2635.2638 0.0000 0.0000 51949.1306 -109485.3137 298.5524 -161434.4443 -109121.0765 298.6679 -130.4359 -100.2076 760972.4032 2.7460 2.7718 PRESSURE: 3375600 94.3491 69.9398 46.3596 69.9404 -38.9399 52.2437 46.3597 52.2429 -232.85 GPRESSURE: 3375600 156.791 89.9658 -16.0014 24.4931 -89.5555 51.6163 98.8297 -85.5966 -155.332 PRESSAVG: 3375600 -5.41233 -15.1156 -4.82635 -15.1157 -25.5608 21.8832 -4.8263 21.8832 -0.0950993 GPRESSAVG: 3375600 -3.88637 -17.9296 -3.34407 -14.7891 -25.8953 20.5058 -4.40257 18.1911 -1.12574 TIMING: 3375600 CPU: 10546.6, 0.00309475/step Wall: 10546.6, 0.00309475/step, 1.39642 hours remaining, 235.085938 MB of memory in use. ENERGY: 3375600 4073.6683 20489.3915 14385.7407 247.1820 -203461.9895 2698.4095 0.0000 0.0000 52170.9023 -109396.6951 299.8269 -161567.5974 -109038.9713 299.4152 -59.1470 -29.3658 761249.5305 -10.3561 -10.3025 PRESSURE: 3375800 -203.175 48.6743 195.004 48.6747 212.445 -62.7796 195.005 -62.7796 134.529 GPRESSURE: 3375800 -192.054 92.7079 170.471 107.742 259.771 -64.0993 158.987 18.0377 166.587 PRESSAVG: 3375800 4.38619 -64.0107 21.0983 -64.0107 37.7374 -17.0021 21.0983 -17.0021 28.3863 GPRESSAVG: 3375800 2.76373 -64.0819 19.3879 -63.2434 37.3842 -16.213 21.6204 -17.1864 30.1542 TIMING: 3375800 CPU: 10547.2, 0.00309348/step Wall: 10547.2, 0.00309348/step, 1.39567 hours remaining, 235.085938 MB of memory in use. ENERGY: 3375800 3891.4928 20514.9497 14394.5257 235.3274 -203375.7144 2718.3337 0.0000 0.0000 52364.1245 -109256.9605 300.9373 -161621.0850 -108896.9006 299.8202 47.9329 78.1012 762139.3959 23.5033 23.4340 PRESSURE: 3376000 -60.0839 -197.849 -18.4648 -197.849 162.629 216.568 -18.4649 216.568 52.745 GPRESSURE: 3376000 -25.8995 -129.306 -21.8557 -13.6332 91.0237 164.424 -29.969 75.7918 176.768 PRESSAVG: 3376000 -17.4584 -30.3454 30.8595 -30.3453 11.7708 22.7001 30.8594 22.7 1.41132 GPRESSAVG: 3376000 -16.8815 -29.724 31.3514 -30.4279 10.9884 23.4557 30.2299 23.9845 1.8009 TIMING: 3376000 CPU: 10547.8, 0.0030824/step Wall: 10547.8, 0.0030824/step, 1.39051 hours remaining, 235.085938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3376000 4020.3157 20458.2623 14422.7285 245.2998 -203740.9147 2987.6093 0.0000 0.0000 52310.2790 -109296.4202 300.6279 -161606.6992 -108927.5128 299.2167 51.7635 80.6308 762512.1723 -1.4254 -1.3641 PRESSURE: 3376200 73.4597 -97.1041 -50.7423 -97.1037 -341.336 106.591 -50.7434 106.591 257.934 GPRESSURE: 3376200 4.72571 -104.184 -65.5033 -80.928 -154.125 137.413 3.73377 44.6096 235.773 PRESSAVG: 3376200 53.6666 -51.8372 17.2993 -51.8371 -53.5851 22.285 17.2993 22.2849 -4.83012 GPRESSAVG: 3376200 54.0665 -50.9519 16.7533 -54.4239 -53.538 22.3843 17.2963 22.8001 -5.50536 TIMING: 3376200 CPU: 10548.5, 0.00310052/step Wall: 10548.5, 0.00310052/step, 1.39851 hours remaining, 235.085938 MB of memory in use. ENERGY: 3376200 3899.2057 20491.2744 14367.6474 262.2946 -203081.9975 2710.8188 0.0000 0.0000 52071.0648 -109279.6919 299.2531 -161350.7567 -108900.5178 299.3146 -3.3141 28.7915 763405.8337 -1.5829 -1.6590 LDB: ============= START OF LOAD BALANCING ============== 10560.9 LDB: ============== END OF LOAD BALANCING =============== 10560.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10560.9 LDB: ============= START OF LOAD BALANCING ============== 10561.3 LDB: Largest compute 7037 load 0.030646 is 15.7% of average load 0.195224 LDB: Average compute 0.004385 is 2.2% of average load 0.195224 LDB: TIME 10561.3 LOAD: AVG 0.195224 MAX 0.215964 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.309 MB LDB: TIME 10561.3 LOAD: AVG 0.195224 MAX 0.215964 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.473 MB LDB: TIME 10561.3 LOAD: AVG 0.195224 MAX 0.215964 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.473 MB LDB: ============== END OF LOAD BALANCING =============== 10561.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10561.3 PRESSURE: 3376400 148.894 -277.057 -179 -277.057 391.877 -29.798 -179 -29.7979 310.538 GPRESSURE: 3376400 243.302 -266.176 -154.57 -369.514 394.252 15.9896 -78.7887 -20.3173 296.747 PRESSAVG: 3376400 -42.3661 9.45728 -8.53578 9.45734 -2.76018 41.8294 -8.53579 41.8294 16.2673 GPRESSAVG: 3376400 -41.6931 8.5739 -8.25041 10.7447 -2.59877 41.9964 -7.09775 41.8209 15.649 TIMING: 3376400 CPU: 10549.1, 0.00316598/step Wall: 10549.1, 0.00316598/step, 1.42786 hours remaining, 234.035156 MB of memory in use. ENERGY: 3376400 3939.5072 20687.5619 14355.4880 261.8812 -203417.5462 3066.4538 0.0000 0.0000 51606.2275 -109500.4266 296.5817 -161106.6541 -109151.4401 299.0857 283.7696 311.4338 762357.7560 -9.6197 -9.5476 PRESSURE: 3376600 108.232 70.3095 101.339 70.3098 7.86237 -8.96633 101.34 -8.96568 -40.9297 GPRESSURE: 3376600 127.244 -2.61388 35.8329 180.096 25.8449 -138.595 41.2387 -22.8462 -4.48625 PRESSAVG: 3376600 0.0948295 26.8016 -21.7768 26.8016 -19.6944 -1.82398 -21.7767 -1.82404 4.6306 GPRESSAVG: 3376600 -0.815675 27.75 -21.9005 27.1405 -18.3489 -3.13902 -22.7416 -1.42307 4.22408 TIMING: 3376600 CPU: 10549.7, 0.00307834/step Wall: 10549.7, 0.00307834/step, 1.38816 hours remaining, 234.035156 MB of memory in use. ENERGY: 3376600 3976.6403 20512.6138 14321.4081 235.6700 -203402.4720 2762.9740 0.0000 0.0000 52068.0035 -109525.1624 299.2355 -161593.1659 -109165.3531 298.8571 25.0549 49.5341 761327.4250 -4.9897 -4.9802 PRESSURE: 3376800 -133.283 99.8381 -97.1377 99.8392 -429.432 -23.5042 -97.1379 -23.5042 298.404 GPRESSURE: 3376800 -80.5591 195.353 -108.453 15.2801 -383.892 33.1318 -133.228 -10.5167 286.798 PRESSAVG: 3376800 38.5312 7.24308 -4.35939 7.24307 1.39939 41.6015 -4.35942 41.6015 -12.0851 GPRESSAVG: 3376800 37.8479 5.88933 -3.59529 6.07468 1.08109 43.9423 -4.83203 41.3162 -11.335 TIMING: 3376800 CPU: 10550.3, 0.00308438/step Wall: 10550.3, 0.00308438/step, 1.39071 hours remaining, 234.035156 MB of memory in use. ENERGY: 3376800 4044.9934 20551.8371 14254.8102 263.9707 -203088.5610 2526.5882 0.0000 0.0000 52010.8308 -109435.5306 298.9070 -161446.3614 -109080.2342 299.3787 -88.1036 -59.2179 761603.4201 9.2818 9.1980 PRESSURE: 3377000 153.353 214.311 -81.7145 214.311 216.793 -168.211 -81.7147 -168.21 -11.2006 GPRESSURE: 3377000 275.013 139.14 -139.807 157.638 212.211 -163.326 -71.4836 32.5171 -29.189 PRESSAVG: 3377000 5.63532 -29.4889 -38.9788 -29.4888 14.8113 -11.0428 -38.9788 -11.0428 18.948 GPRESSAVG: 3377000 5.37625 -28.2274 -38.8772 -28.995 15.2323 -11.5177 -39.7422 -11.7614 18.9725 TIMING: 3377000 CPU: 10550.9, 0.00308589/step Wall: 10550.9, 0.00308589/step, 1.39122 hours remaining, 234.035156 MB of memory in use. ENERGY: 3377000 4021.1638 20396.2284 14355.1738 241.7825 -203903.5979 3101.3406 0.0000 0.0000 52156.1677 -109631.7411 299.7422 -161787.9088 -109277.5693 298.7322 119.6485 152.6785 760767.7327 13.1315 13.1937 PRESSURE: 3377200 187.635 -240.062 -92.126 -240.062 75.0522 153.625 -92.1266 153.625 -143.824 GPRESSURE: 3377200 252.607 -236.279 -178.38 -127.044 147.103 39.5064 -100.591 -26.5599 -203.84 PRESSAVG: 3377200 21.5359 -27.5614 15.9121 -27.5613 -2.34828 -11.1415 15.9121 -11.1416 2.3129 GPRESSAVG: 3377200 23.3436 -25.618 13.8785 -26.73 -2.83974 -12.5056 17.8669 -12.1667 1.13168 TIMING: 3377200 CPU: 10551.6, 0.00309929/step Wall: 10551.6, 0.00309929/step, 1.39709 hours remaining, 234.035156 MB of memory in use. ENERGY: 3377200 4001.3436 20469.8316 14384.0943 243.6957 -203628.4226 2858.7437 0.0000 0.0000 52163.2736 -109507.4402 299.7831 -161670.7138 -109147.5371 299.1942 39.6208 65.2899 760335.5644 7.1668 7.2118 PRESSURE: 3377400 -323.513 -119.956 3.53665 -119.956 -242.978 171.158 3.53649 171.158 -227.117 GPRESSURE: 3377400 -248.72 -87.1311 90.8942 -117.186 -230.784 120.885 -83.9284 172.976 -230.325 PRESSAVG: 3377400 -28.052 -20.857 -3.00062 -20.857 -28.4129 55.1544 -3.00063 55.1545 1.97908 GPRESSAVG: 3377400 -28.3646 -22.8433 -1.14365 -20.8736 -28.4234 54.2045 -3.72331 55.3136 2.60834 TIMING: 3377400 CPU: 10552.2, 0.00309488/step Wall: 10552.2, 0.00309488/step, 1.39493 hours remaining, 234.035156 MB of memory in use. ENERGY: 3377400 3976.1998 20713.9828 14341.0375 235.9981 -203193.6732 2391.9132 0.0000 0.0000 51887.6474 -109646.8944 298.1990 -161534.5418 -109296.7667 298.9474 -264.5359 -236.6099 759816.3616 -18.1619 -18.0599 PRESSURE: 3377600 -107.643 41.0759 -4.31272 41.076 84.9729 370.297 -4.31239 370.297 -130.806 GPRESSURE: 3377600 -11.0192 -67.6777 -125.616 102.19 24.4779 480.005 1.2423 274.374 -91.2937 PRESSAVG: 3377600 11.9335 3.42173 -5.68028 3.42169 -7.74433 37.7818 -5.68039 37.7818 14.9126 GPRESSAVG: 3377600 11.203 3.22772 -7.49703 3.70335 -8.34943 39.8076 -6.36076 38.8935 16.1703 TIMING: 3377600 CPU: 10552.8, 0.00309356/step Wall: 10552.8, 0.00309356/step, 1.39416 hours remaining, 234.035156 MB of memory in use. ENERGY: 3377600 4002.1194 20545.4701 14449.2460 251.9389 -203342.7919 2646.6142 0.0000 0.0000 51848.7942 -109598.6090 297.9757 -161447.4032 -109255.5403 299.1047 -51.1587 -25.9450 761132.8699 6.3672 6.3413 PRESSURE: 3377800 -76.7457 174.014 -209.787 174.014 -436.834 47.5803 -209.787 47.5798 -51.2466 GPRESSURE: 3377800 -80.6984 200.071 -213.016 124.702 -381.219 121.364 -60.2067 42.4339 1.19583 PRESSAVG: 3377800 26.1177 -23.1587 -21.1012 -23.1587 -47.0289 56.3003 -21.1012 56.3003 -4.30223 GPRESSAVG: 3377800 25.77 -23.4617 -21.0456 -23.8443 -46.9682 54.8621 -20.1344 56.1655 -4.17228 TIMING: 3377800 CPU: 10553.4, 0.00310412/step Wall: 10553.4, 0.00310412/step, 1.39875 hours remaining, 234.035156 MB of memory in use. ENERGY: 3377800 4035.9698 20389.7243 14415.3922 247.3553 -203384.3477 2498.9834 0.0000 0.0000 52400.4639 -109396.4589 301.1462 -161796.9228 -109021.3683 299.3112 -188.2755 -153.5738 762744.8554 -8.4045 -8.4568 PRESSURE: 3378000 88.3781 -52.9606 -18.5593 -52.9603 -54.9003 -43.6207 -18.5599 -43.621 -241.334 GPRESSURE: 3378000 122.467 -54.574 11.8906 -70.9006 -31.5339 -41.5341 3.57596 24.1043 -188.338 PRESSAVG: 3378000 18.0757 -19.2986 -23.9444 -19.2986 -19.3642 4.60696 -23.9443 4.60698 -17.9752 GPRESSAVG: 3378000 18.0679 -17.8405 -24.3059 -19.5955 -19.3295 6.61803 -23.6584 2.35165 -17.7392 TIMING: 3378000 CPU: 10554, 0.00310079/step Wall: 10554, 0.00310079/step, 1.39708 hours remaining, 234.035156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3378000 3948.2918 20638.1793 14384.3250 242.4922 -203211.0761 2633.1346 0.0000 0.0000 52013.1953 -109351.4579 298.9205 -161364.6532 -108989.6942 299.6716 -69.2856 -32.4684 762089.4160 -6.4212 -6.3336 PRESSURE: 3378200 -162.617 200.912 144.853 200.912 52.5779 55.7793 144.854 55.7797 -420.527 GPRESSURE: 3378200 -142.784 107.843 130.239 278.829 63.6636 61.1064 143.851 102.353 -361.533 PRESSAVG: 3378200 -62.0893 -8.7196 34.468 -8.71964 52.4425 -4.88698 34.468 -4.88708 -0.166703 GPRESSAVG: 3378200 -61.0895 -9.10361 35.5741 -8.57566 53.1813 -4.15899 34.312 -2.706 -1.17559 TIMING: 3378200 CPU: 10554.7, 0.00309106/step Wall: 10554.7, 0.00309106/step, 1.39252 hours remaining, 234.089844 MB of memory in use. ENERGY: 3378200 4061.0012 20483.8526 14366.1191 264.1981 -203387.6283 2788.1065 0.0000 0.0000 51963.8887 -109460.4620 298.6372 -161424.3507 -109092.1713 299.0992 -176.8556 -146.8845 763282.7968 -3.2712 -3.0279 PRESSURE: 3378400 166.923 125.174 24.5933 125.174 -20.2753 34.3451 24.5941 34.3456 8.5691 GPRESSURE: 3378400 138.316 135.681 22.9461 18.8415 110.661 -28.2268 137.309 27.1487 -2.42627 PRESSAVG: 3378400 -19.9226 -23.8846 -25.3496 -23.8847 -8.00472 50.3422 -25.3496 50.3422 2.86347 GPRESSAVG: 3378400 -20.7533 -23.9568 -25.6557 -23.6477 -9.00053 47.5682 -27.8453 50.7949 4.61424 TIMING: 3378400 CPU: 10555.3, 0.00310344/step Wall: 10555.3, 0.00310344/step, 1.39793 hours remaining, 234.089844 MB of memory in use. ENERGY: 3378400 4027.2501 20485.0369 14411.1944 220.3836 -203281.8041 2717.6840 0.0000 0.0000 51868.6703 -109551.5848 298.0900 -161420.2551 -109186.3559 298.8778 51.7391 82.1837 762001.7152 -8.3546 -8.3799 PRESSURE: 3378600 -241.458 -8.45842 -45.7782 -8.45817 -150.416 -126.412 -45.778 -126.411 -44.8569 GPRESSURE: 3378600 -200.321 65.8185 -33.3196 -67.9628 -82.2617 -114.849 5.23668 -177.408 -62.9274 PRESSAVG: 3378600 -9.95975 -4.85355 -41.1446 -4.85353 20.4131 -7.40336 -41.1446 -7.40343 37.3143 GPRESSAVG: 3378600 -9.05907 -6.01286 -40.3259 -5.31442 21.3958 -7.58211 -38.2148 -7.4303 35.9118 TIMING: 3378600 CPU: 10555.9, 0.00308432/step Wall: 10555.9, 0.00308432/step, 1.38914 hours remaining, 234.089844 MB of memory in use. ENERGY: 3378600 4010.3252 20510.0350 14350.0445 236.5938 -203370.8112 2618.7293 0.0000 0.0000 52094.1519 -109550.9316 299.3858 -161645.0835 -109176.4761 298.4820 -145.5772 -115.1699 761997.3997 15.9226 16.0829 PRESSURE: 3378800 -17.8892 121.561 -74.5643 121.561 -84.0795 -66.04 -74.564 -66.0403 -229.606 GPRESSURE: 3378800 -50.8134 137.267 -18.3661 14.8157 -79.5459 -166.377 -32.1869 111.935 -134.426 PRESSAVG: 3378800 -1.01977 25.7463 -59.2271 25.7463 -8.83828 -28.791 -59.227 -28.791 10.5831 GPRESSAVG: 3378800 -1.22198 27.9 -60.3748 25.0968 -8.86748 -29.0914 -61.1849 -28.7386 10.4396 TIMING: 3378800 CPU: 10556.5, 0.00308717/step Wall: 10556.5, 0.00308717/step, 1.39026 hours remaining, 234.230469 MB of memory in use. ENERGY: 3378800 3985.5971 20383.5879 14436.7639 261.1895 -203363.5425 2882.0154 0.0000 0.0000 51894.9513 -109519.4373 298.2410 -161414.3886 -109155.0314 298.8421 -110.5248 -88.2619 763075.8855 0.2417 0.1167 PRESSURE: 3379000 -34.5261 316.252 88.0826 316.252 41.8635 162.459 88.0825 162.46 -310.845 GPRESSURE: 3379000 -40.7502 225.301 139.166 335.822 90.1652 111.783 202.994 55.5609 -271.498 PRESSAVG: 3379000 -49.1072 7.14212 43.0289 7.14206 43.1664 0.758956 43.029 0.759032 8.58713 GPRESSAVG: 3379000 -49.6719 4.70818 44.2479 7.74645 42.6023 1.60324 42.9274 0.452715 9.54964 TIMING: 3379000 CPU: 10557.1, 0.00309245/step Wall: 10557.1, 0.00309245/step, 1.39246 hours remaining, 234.230469 MB of memory in use. ENERGY: 3379000 4019.7565 20541.0891 14408.2264 236.2658 -203447.0705 3020.4447 0.0000 0.0000 51842.8117 -109378.4763 297.9414 -161221.2880 -109022.7579 299.0990 -101.1694 -74.0276 764274.0690 0.8821 0.8267 PRESSURE: 3379200 -356.842 -40.3757 72.0811 -40.3761 -456.353 -136.034 72.0813 -136.033 -39.0798 GPRESSURE: 3379200 -361.575 25.6386 48.2146 2.4932 -437.996 -200.836 60.499 -170.767 49.221 PRESSAVG: 3379200 2.82707 -44.6386 73.1884 -44.6386 -25.8247 -25.8497 73.1884 -25.8498 -0.668881 GPRESSAVG: 3379200 4.3475 -42.5843 73.0844 -45.5619 -25.7537 -26.3164 76.524 -24.0644 -1.94047 TIMING: 3379200 CPU: 10557.8, 0.0030977/step Wall: 10557.8, 0.0030977/step, 1.39465 hours remaining, 234.230469 MB of memory in use. ENERGY: 3379200 4025.3388 20347.9534 14412.0570 252.0090 -202981.3432 2365.8099 0.0000 0.0000 52228.9523 -109349.2228 300.1605 -161578.1750 -108983.2824 299.3111 -284.0916 -250.1165 761955.1680 -7.8888 -7.7822 PRESSURE: 3379400 -149.042 -32.9335 -86.3227 -32.9338 411.496 -24.7234 -86.3228 -24.7245 -114.71 GPRESSURE: 3379400 -13.6552 43.6304 -102.713 -13.4211 348.973 -60.0043 -197.499 63.4011 -100.935 PRESSAVG: 3379400 5.15565 -30.292 -7.02484 -30.292 -18.5667 -79.8172 -7.02484 -79.8171 2.25726 GPRESSAVG: 3379400 3.87583 -29.4626 -7.21448 -29.3015 -17.419 -78.6982 -12.0317 -82.101 2.67702 TIMING: 3379400 CPU: 10558.4, 0.00309734/step Wall: 10558.4, 0.00309734/step, 1.39432 hours remaining, 234.230469 MB of memory in use. ENERGY: 3379400 3962.1078 20550.6907 14405.6019 258.8629 -203449.8368 2833.0879 0.0000 0.0000 52177.8350 -109261.6507 299.8667 -161439.4857 -108901.8810 299.6358 49.2481 78.1275 762444.4010 -3.7179 -3.6220 PRESSURE: 3379600 131.659 223.831 -69.8829 223.832 200.112 104.421 -69.8835 104.422 36.8806 GPRESSURE: 3379600 207.005 356.089 -58.9426 168.024 177.422 85.2724 41.6715 -3.94437 74.2224 PRESSAVG: 3379600 24.0214 -18.2752 -60.6344 -18.2752 -38.1808 -27.7179 -60.6343 -27.7179 10.2031 GPRESSAVG: 3379600 24.5438 -18.2599 -60.1551 -18.3282 -38.7469 -28.0665 -58.536 -29.052 10.3261 TIMING: 3379600 CPU: 10559, 0.0031004/step Wall: 10559, 0.0031004/step, 1.39553 hours remaining, 234.230469 MB of memory in use. ENERGY: 3379600 3927.3381 20431.6044 14406.1353 250.2468 -203013.1407 2739.9259 0.0000 0.0000 52045.4244 -109212.4659 299.1058 -161257.8903 -108853.2769 299.1395 122.8836 152.8831 763288.0646 -1.3188 -1.2923 PRESSURE: 3379800 -66.8171 114.946 -64.9278 114.947 -148.025 35.0539 -64.928 35.0537 -115.715 GPRESSURE: 3379800 -58.4222 75.7168 -140.103 42.802 -101.426 17.6851 -80.075 126.607 -111.118 PRESSAVG: 3379800 -1.97912 -2.59278 -39.8386 -2.5927 19.0032 -11.8169 -39.8385 -11.8169 2.36132 GPRESSAVG: 3379800 -1.03941 -3.94995 -40.7225 -2.84595 16.75 -12.4956 -39.2457 -8.98861 3.85704 TIMING: 3379800 CPU: 10559.6, 0.00309294/step Wall: 10559.6, 0.00309294/step, 1.39199 hours remaining, 234.230469 MB of memory in use. ENERGY: 3379800 3930.0220 20524.5239 14429.0799 243.0152 -203358.8196 2678.3195 0.0000 0.0000 52161.2164 -109392.6427 299.7712 -161553.8591 -109019.8782 299.4735 -110.1857 -90.3220 763071.6120 6.4618 6.5225 PRESSURE: 3380000 -46.8397 75.6353 26.9235 75.6353 -130.323 -195.889 26.9232 -195.888 111.548 GPRESSURE: 3380000 -17.7239 58.6031 -28.7538 84.7733 -59.3873 -173.166 44.093 -282.425 91.0358 PRESSAVG: 3380000 -29.9386 -41.8689 -39.7567 -41.8689 10.9137 -8.73383 -39.7567 -8.73378 -1.99736 GPRESSAVG: 3380000 -31.1219 -40.4309 -39.152 -42.909 12.8223 -6.93353 -41.5043 -10.3626 -3.0318 TIMING: 3380000 CPU: 10560.2, 0.00310139/step Wall: 10560.2, 0.00310139/step, 1.39563 hours remaining, 234.230469 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: 3380000 3884.2186 20491.9503 14487.6258 255.0410 -202625.6368 2252.0786 0.0000 0.0000 52174.8509 -109079.8717 299.8496 -161254.7225 -108707.4217 299.3711 -21.8714 4.6416 763118.8095 -7.0074 -7.1105 PRESSURE: 3380200 -95.5728 -28.5893 -79.9814 -28.5885 -207.586 5.82993 -79.9804 5.82949 -79.9354 GPRESSURE: 3380200 -59.7867 12.2079 -35.6962 5.33145 -189.79 -5.98833 37.4674 -111.44 -45.2371 PRESSAVG: 3380200 45.5408 -6.80219 2.49458 -6.80217 -15.8997 -0.808263 2.49457 -0.808229 8.21373 GPRESSAVG: 3380200 46.1684 -8.52483 2.60698 -5.95712 -15.0893 -1.21515 3.02406 -2.34367 7.29169 TIMING: 3380200 CPU: 10560.9, 0.00309832/step Wall: 10560.9, 0.00309832/step, 1.39407 hours remaining, 234.230469 MB of memory in use. ENERGY: 3380200 4085.6694 20640.0603 14498.6106 242.9532 -203552.0635 2801.5176 0.0000 0.0000 52172.4204 -109110.8320 299.8356 -161283.2524 -108757.7464 299.5807 -127.6982 -98.2714 762302.5954 12.6183 12.7903 LDB: ============= START OF LOAD BALANCING ============== 10573.3 LDB: ============== END OF LOAD BALANCING =============== 10573.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10573.3 LDB: ============= START OF LOAD BALANCING ============== 10573.6 LDB: Largest compute 7031 load 0.030682 is 15.7% of average load 0.195085 LDB: Average compute 0.004403 is 2.3% of average load 0.195085 LDB: TIME 10573.6 LOAD: AVG 0.195085 MAX 0.213617 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.645 MB LDB: TIME 10573.6 LOAD: AVG 0.195085 MAX 0.213617 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.645 MB LDB: TIME 10573.6 LOAD: AVG 0.195085 MAX 0.213617 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.645 MB LDB: ============== END OF LOAD BALANCING =============== 10573.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10573.7 PRESSURE: 3380400 348.495 -59.8177 -205.92 -59.8175 70.6444 248.8 -205.919 248.8 4.65914 GPRESSURE: 3380400 464.664 -20.9652 -204.221 -68.9688 105.83 243.428 -205.471 144.405 -83.4999 PRESSAVG: 3380400 74.7731 -25.3938 10.6922 -25.3938 -55.866 45.7663 10.6922 45.7663 12.8807 GPRESSAVG: 3380400 74.1831 -24.5084 10.8742 -23.3739 -55.6348 44.988 12.3432 48.0099 12.5879 TIMING: 3380400 CPU: 10561.5, 0.00315477/step Wall: 10561.5, 0.00315477/step, 1.4193 hours remaining, 234.156250 MB of memory in use. ENERGY: 3380400 4005.6166 20665.7571 14376.7649 239.5672 -203208.6548 2763.8411 0.0000 0.0000 51954.1965 -109202.9114 298.5815 -161157.1079 -108845.8058 299.7971 141.2662 162.3315 761488.0832 10.5959 10.3788 PRESSURE: 3380600 -456.621 64.8456 212.607 64.8459 123.606 -146.014 212.606 -146.015 -649.903 GPRESSURE: 3380600 -394.876 2.51574 228.113 168.778 56.3848 3.8607 164.52 -134.185 -570.207 PRESSAVG: 3380600 -15.6332 -64.4442 -15.5517 -64.4442 -7.04658 7.85812 -15.5516 7.85807 -4.59458 GPRESSAVG: 3380600 -15.3454 -63.8889 -17.0138 -65.3075 -7.5635 7.57836 -15.9139 9.01145 -4.17072 TIMING: 3380600 CPU: 10562.1, 0.00308816/step Wall: 10562.1, 0.00308816/step, 1.38916 hours remaining, 234.156250 MB of memory in use. ENERGY: 3380600 4026.4500 20631.7689 14492.1613 246.7799 -203033.7229 2575.7295 0.0000 0.0000 51880.2370 -109180.5964 298.1564 -161060.8334 -108814.8740 299.3917 -327.6394 -302.8994 762977.7622 -9.0915 -9.0265 PRESSURE: 3380800 -204.435 -138.562 121.445 -138.562 -401.829 108.576 121.446 108.576 -662.377 GPRESSURE: 3380800 -94.9265 -82.1536 89.0549 -97.6913 -488.225 111.553 177.725 144.732 -613.628 PRESSAVG: 3380800 54.9136 -57.9951 77.4949 -57.9951 -22.4503 -10.2775 77.4948 -10.2776 25.4517 GPRESSAVG: 3380800 54.429 -61.6325 77.1589 -56.0882 -22.0593 -10.6435 76.6563 -11.3396 26.3288 TIMING: 3380800 CPU: 10562.7, 0.00310758/step Wall: 10562.7, 0.00310758/step, 1.39772 hours remaining, 234.156250 MB of memory in use. ENERGY: 3380800 3977.6099 20419.1419 14468.9864 242.3406 -202813.1263 2585.7386 0.0000 0.0000 52071.4356 -109047.8733 299.2553 -161119.3088 -108681.3145 299.8558 -422.8807 -398.9265 765032.2535 19.3050 19.5661 PRESSURE: 3381000 -148.819 -107.49 74.5341 -107.489 -128.891 133.556 74.5341 133.555 235.979 GPRESSURE: 3381000 -150.738 10.5008 124.717 -206.549 -81.0352 74.4851 66.62 123.453 266.642 PRESSAVG: 3381000 46.1838 -60.2431 31.7322 -60.2431 -22.4534 55.8467 31.7322 55.8467 12.1355 GPRESSAVG: 3381000 46.417 -57.8431 33.0386 -60.413 -22.6767 56.8076 31.7434 55.9128 12.149 TIMING: 3381000 CPU: 10563.3, 0.00309609/step Wall: 10563.3, 0.00309609/step, 1.39238 hours remaining, 234.156250 MB of memory in use. ENERGY: 3381000 3894.5085 20531.9855 14449.8411 236.9201 -203224.3760 2894.7537 0.0000 0.0000 52050.7611 -109165.6060 299.1364 -161216.3671 -108798.5882 299.7059 -13.9107 11.6230 762757.1544 11.9553 11.9631 PRESSURE: 3381200 -0.285357 236.627 -22.2352 236.627 -154.635 -119.621 -22.2345 -119.62 -53.4141 GPRESSURE: 3381200 -14.3243 242.034 -95.2788 155.313 -33.5032 24.9571 -58.1377 -98.0335 -59.3882 PRESSAVG: 3381200 -27.3353 -7.429 53.6847 -7.42902 16.9379 16.8419 53.6847 16.842 30.1595 GPRESSAVG: 3381200 -27.8702 -6.73534 51.8453 -7.49275 18.2547 16.1303 55.1535 18.9494 29.292 TIMING: 3381200 CPU: 10564, 0.00309166/step Wall: 10564, 0.00309166/step, 1.39022 hours remaining, 234.156250 MB of memory in use. ENERGY: 3381200 3980.8209 20444.7965 14457.9413 246.2462 -202752.1250 2378.4129 0.0000 0.0000 52256.9464 -108986.9608 300.3214 -161243.9072 -108618.0995 300.0262 -69.4448 -35.7386 763038.8874 6.5874 6.5588 PRESSURE: 3381400 -203.985 -0.355442 239.484 -0.354766 -116.751 -206.413 239.484 -206.413 -72.4874 GPRESSURE: 3381400 -271.002 -35.5263 236.513 10.8533 -96.4454 -164.046 369.941 -271.352 48.0808 PRESSAVG: 3381400 -53.7247 -3.59201 20.4899 -3.592 83.7607 -11.8245 20.49 -11.8245 0.0493243 GPRESSAVG: 3381400 -54.621 -4.47701 22.1614 -4.47095 82.9439 -11.0195 17.5505 -14.0688 1.30956 TIMING: 3381400 CPU: 10564.6, 0.00309725/step Wall: 10564.6, 0.00309725/step, 1.39256 hours remaining, 234.156250 MB of memory in use. ENERGY: 3381400 4045.2355 20602.7815 14375.8522 254.7045 -202783.5387 2500.3632 0.0000 0.0000 52153.0585 -108851.5433 299.7243 -161004.6018 -108492.2980 300.1629 -131.0746 -106.4555 763198.4705 10.0284 9.8775 PRESSURE: 3381600 84.3346 -232.319 -67.866 -232.32 137.003 -9.1375 -67.8668 -9.13771 222.262 GPRESSURE: 3381600 151.614 -218.859 -107.529 -140.169 110.188 -67.2606 -86.9648 -36.1203 265.774 PRESSAVG: 3381600 -85.5762 -18.6691 -0.489698 -18.6691 69.4032 -33.931 -0.489745 -33.931 -6.91158 GPRESSAVG: 3381600 -85.4125 -20.0957 -2.60197 -17.5577 70.0284 -34.8058 2.16476 -33.9104 -7.05801 TIMING: 3381600 CPU: 10565.2, 0.00309793/step Wall: 10565.2, 0.00309793/step, 1.39269 hours remaining, 234.156250 MB of memory in use. ENERGY: 3381600 4059.0879 20627.3295 14383.8561 240.0830 -203457.4988 2914.1873 0.0000 0.0000 52336.4801 -108896.4748 300.7785 -161232.9549 -108545.3966 300.2302 147.8665 175.8587 762387.6383 -7.6949 -7.4807 PRESSURE: 3381800 -146.252 138.047 137.804 138.046 -165.835 37.6432 137.804 37.6432 43.9596 GPRESSURE: 3381800 -63.3085 160.854 48.8264 -16.5922 -95.3622 103.567 122.692 -54.1076 -41.9463 PRESSAVG: 3381800 0.400666 -36.2551 -6.88763 -36.2552 -15.2342 -36.7097 -6.8877 -36.7097 6.1374 GPRESSAVG: 3381800 0.181485 -34.3492 -5.41758 -37.4942 -16.0914 -35.0221 -8.0368 -36.2735 6.85616 TIMING: 3381800 CPU: 10565.8, 0.00309777/step Wall: 10565.8, 0.00309777/step, 1.39245 hours remaining, 234.156250 MB of memory in use. ENERGY: 3381800 4064.0767 20575.4653 14457.0677 268.8141 -203510.1170 2820.7854 0.0000 0.0000 52624.7878 -108699.1199 302.4354 -161323.9077 -108335.8391 300.1173 -89.3759 -66.8723 762473.6857 -2.8987 -3.0179 PRESSURE: 3382000 -105.821 162.726 7.40851 162.727 49.0317 -239.907 7.40792 -239.906 110.679 GPRESSURE: 3382000 -54.7662 106.234 11.3876 52.9454 85.7054 -308.377 -60.2329 -223.997 116.799 PRESSAVG: 3382000 -60.5305 7.0578 -1.37163 7.05783 54.3007 -26.2603 -1.37161 -26.2603 -4.93731 GPRESSAVG: 3382000 -58.8904 5.87466 -2.39958 7.96101 54.9126 -27.7976 -2.03986 -25.8015 -6.93591 TIMING: 3382000 CPU: 10566.4, 0.00308589/step Wall: 10566.4, 0.00308589/step, 1.38694 hours remaining, 234.156250 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: 3382000 3964.3480 20591.3999 14501.6425 243.7306 -202819.9768 2701.7061 0.0000 0.0000 52187.5471 -108629.6025 299.9226 -160817.1497 -108265.0253 300.5152 17.9634 49.2462 762003.6935 -3.7224 -3.6379 PRESSURE: 3382200 72.6118 -108.873 90.4634 -108.873 332.303 100.618 90.4633 100.619 254.499 GPRESSURE: 3382200 32.38 -72.8828 10.8847 -139.572 371.486 68.4733 164.05 131.064 334.836 PRESSAVG: 3382200 -2.75542 -0.848327 17.2938 -0.848339 43.6754 -2.99978 17.2937 -2.9998 -0.654549 GPRESSAVG: 3382200 -3.47903 -1.59028 17.2144 -2.12231 43.812 -1.45944 17.6591 -3.66127 0.00359364 TIMING: 3382200 CPU: 10567.1, 0.00310179/step Wall: 10567.1, 0.00310178/step, 1.39391 hours remaining, 234.156250 MB of memory in use. ENERGY: 3382200 3967.2826 20567.6461 14405.5457 238.0027 -202925.0058 2709.2630 0.0000 0.0000 52139.0329 -108898.2328 299.6437 -161037.2656 -108539.4134 300.4380 219.8045 246.2339 762230.1710 13.4218 13.4455 PRESSURE: 3382400 137.599 28.6952 -285.62 28.6951 59.8082 -83.9848 -285.619 -83.9848 -274.584 GPRESSURE: 3382400 154.699 -64.157 -224.966 8.55203 47.7701 -96.3943 -212.623 -86.2673 -201.934 PRESSAVG: 3382400 -18.3177 21.1006 -1.91678 21.1006 41.8875 -59.7671 -1.91683 -59.7671 7.90565 GPRESSAVG: 3382400 -18.4645 19.4516 -1.02988 24.3439 41.8515 -59.7883 -1.56493 -57.5357 8.18117 TIMING: 3382400 CPU: 10567.7, 0.00311095/step Wall: 10567.7, 0.00311095/step, 1.39786 hours remaining, 234.156250 MB of memory in use. ENERGY: 3382400 3992.8932 20569.3176 14491.4935 222.3098 -203242.8363 2886.6363 0.0000 0.0000 52091.9195 -108988.2665 299.3730 -161080.1860 -108637.8077 299.8926 -25.7256 0.1784 761957.8465 10.4918 10.5227 PRESSURE: 3382600 -29.1179 49.5541 8.09139 49.5543 83.5004 135.317 8.09139 135.317 -6.267 GPRESSURE: 3382600 61.3141 -22.2992 105.589 56.0353 3.6769 96.7562 32.0574 16.4721 58.1377 PRESSAVG: 3382600 6.15718 30.5355 -3.63224 30.5355 -34.4521 -21.52 -3.63219 -21.5201 -8.64175 GPRESSAVG: 3382600 6.09451 32.5974 -3.54608 26.5747 -35.4195 -21.8738 -3.89066 -24.9626 -7.66511 TIMING: 3382600 CPU: 10568.3, 0.00311198/step Wall: 10568.3, 0.00311197/step, 1.39814 hours remaining, 234.156250 MB of memory in use. ENERGY: 3382600 3988.7030 20553.8860 14417.0742 246.4004 -203356.6862 2890.7263 0.0000 0.0000 52131.3657 -109128.5306 299.5997 -161259.8963 -108766.6962 300.0669 16.0385 41.0429 763117.6730 -12.3122 -12.3300 PRESSURE: 3382800 175.682 113.023 -106.218 113.024 40.368 -246.868 -106.217 -246.869 553.123 GPRESSURE: 3382800 247.564 167.048 -98.9378 150.881 100.346 -268.818 -127.855 -130.666 504.563 PRESSAVG: 3382800 -60.7774 10.4565 -41.355 10.4566 -13.2477 -22.7975 -41.355 -22.7975 20.669 GPRESSAVG: 3382800 -60.2874 11.4142 -42.5657 13.0433 -13.3261 -22.4681 -39.3372 -21.2555 19.6497 TIMING: 3382800 CPU: 10568.9, 0.00311292/step Wall: 10568.9, 0.00311292/step, 1.39839 hours remaining, 234.156250 MB of memory in use. ENERGY: 3382800 4028.8340 20447.4952 14432.3334 265.6499 -203243.1461 2891.8244 0.0000 0.0000 52043.5737 -109133.4355 299.0951 -161177.0093 -108770.4648 299.5774 256.3908 284.1579 763218.6857 -17.7853 -17.9879 PRESSURE: 3383000 265.557 -83.1749 -155.128 -83.1745 101.474 -118.426 -155.129 -118.425 362.701 GPRESSURE: 3383000 269.065 -104.383 -87.8772 -51.1337 165.041 -156.411 -197.451 -186.981 351.35 PRESSAVG: 3383000 -2.49595 -50.6503 13.2659 -50.6504 -2.70047 -35.8318 13.2658 -35.8317 -9.9039 GPRESSAVG: 3383000 -3.44269 -50.5995 12.8476 -50.6785 -1.93531 -36.7488 8.99431 -34.682 -9.46747 TIMING: 3383000 CPU: 10569.5, 0.00311854/step Wall: 10569.5, 0.00311854/step, 1.40074 hours remaining, 234.156250 MB of memory in use. ENERGY: 3383000 3942.3449 20597.8818 14395.4906 237.4258 -203153.4408 2865.0917 0.0000 0.0000 51985.7569 -109129.4490 298.7629 -161115.2059 -108775.7198 299.1106 243.2438 261.8188 762569.8297 -5.0334 -4.9485 PRESSURE: 3383200 -131.146 96.2478 157.65 96.2477 -131.599 287.302 157.65 287.302 -95.9197 GPRESSURE: 3383200 -41.8007 98.2774 177.312 -55.7492 -100.044 305.423 162.529 142.229 -133.26 PRESSAVG: 3383200 6.72254 -8.15337 -38.8083 -8.15341 28.8342 4.32258 -38.8082 4.32252 -5.68644 GPRESSAVG: 3383200 7.73819 -9.39396 -37.0814 -7.75031 27.8781 4.65806 -39.2903 1.91314 -5.7283 TIMING: 3383200 CPU: 10570.2, 0.0031/step Wall: 10570.2, 0.0031/step, 1.39224 hours remaining, 234.156250 MB of memory in use. ENERGY: 3383200 3921.0869 20589.7448 14470.7609 239.7508 -202977.6052 2493.6193 0.0000 0.0000 51900.6238 -109362.0186 298.2736 -161262.6424 -109010.9388 299.0981 -119.5548 -91.7013 763406.8097 9.9568 9.9627 PRESSURE: 3383400 -351.31 122.673 -161.813 122.673 -89.0619 -102.857 -161.813 -102.857 -137.765 GPRESSURE: 3383400 -326.412 91.0844 -231.402 118.127 -51.7661 -36.3508 -153.315 -47.4208 -141.852 PRESSAVG: 3383400 13.7938 -22.9118 25.4268 -22.9118 -7.00252 21.6869 25.4268 21.687 0.591612 GPRESSAVG: 3383400 15.1376 -20.9107 23.8719 -23.4911 -7.50725 22.9555 26.5056 23.2814 0.00452582 TIMING: 3383400 CPU: 10570.8, 0.00309248/step Wall: 10570.8, 0.00309248/step, 1.38869 hours remaining, 234.156250 MB of memory in use. ENERGY: 3383400 3987.4194 20390.9619 14450.4927 255.0555 -203467.2196 2769.1343 0.0000 0.0000 52031.9000 -109582.2558 299.0280 -161614.1558 -109219.7900 298.7730 -192.7122 -173.3436 762806.4206 2.4610 2.5449 PRESSURE: 3383600 -69.4875 111.175 -22.3348 111.176 198.529 50.3444 -22.3346 50.3466 -85.2583 GPRESSURE: 3383600 -14.4635 29.8126 -5.66742 88.0133 250.428 7.65289 -57.1619 -5.03812 -113.325 PRESSAVG: 3383600 -25.9882 53.4527 3.19728 53.4527 26.2953 -24.9695 3.19727 -24.9695 -19.9878 GPRESSAVG: 3383600 -27.745 52.2388 4.68919 52.6469 27.9348 -25.8385 4.61348 -24.4111 -20.0218 TIMING: 3383600 CPU: 10571.4, 0.00308857/step Wall: 10571.4, 0.00308857/step, 1.38677 hours remaining, 234.156250 MB of memory in use. ENERGY: 3383600 3961.8692 20211.1152 14483.4370 245.1821 -202989.8924 2679.0787 0.0000 0.0000 51979.3468 -109429.8633 298.7260 -161409.2101 -109056.4663 298.5182 14.5945 40.8798 763112.6146 -6.5602 -6.6107 PRESSURE: 3383800 -134.86 21.6401 86.9708 21.64 -58.7169 -101.303 86.9707 -101.302 -134.36 GPRESSURE: 3383800 -73.0285 128.822 128.506 -25.9159 -40.1529 -64.0835 -53.8669 -16.177 -131.01 PRESSAVG: 3383800 -37.9045 -59.9041 -14.3498 -59.9041 49.1359 20.2795 -14.3499 20.2795 -17.2061 GPRESSAVG: 3383800 -38.3454 -59.5677 -17.2129 -59.9822 48.3054 21.8762 -12.5454 19.3442 -15.7471 TIMING: 3383800 CPU: 10572, 0.00309887/step Wall: 10572, 0.00309887/step, 1.39122 hours remaining, 234.156250 MB of memory in use. ENERGY: 3383800 4026.3759 20484.5055 14384.6173 239.9597 -203875.7449 3098.1465 0.0000 0.0000 52123.2771 -109518.8629 299.5532 -161642.1400 -109162.5595 298.5362 -109.3123 -81.3971 762105.9617 -1.9916 -1.9290 PRESSURE: 3384000 -224.888 -103.598 91.7781 -103.597 -131.024 -19.5361 91.7777 -19.5367 -336.258 GPRESSURE: 3384000 -235.349 63.3343 129.34 -133.593 -80.0982 -92.5226 97.0423 -61.6809 -295.703 PRESSAVG: 3384000 -77.5121 -34.6868 45.2262 -34.6868 70.9789 16.6261 45.2262 16.6261 -14.8863 GPRESSAVG: 3384000 -74.9992 -35.8404 45.7991 -33.3276 70.0203 15.5206 44.1213 15.8831 -16.0789 TIMING: 3384000 CPU: 10572.6, 0.00310683/step Wall: 10572.6, 0.00310683/step, 1.39462 hours remaining, 234.156250 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: 3384000 3963.4967 20504.1143 14452.4020 253.7732 -203478.6105 2899.6940 0.0000 0.0000 51953.6398 -109451.4906 298.5783 -161405.1304 -109090.6100 298.6211 -230.7233 -203.7168 761835.4041 -7.1398 -7.0193 PRESSURE: 3384200 -241.689 80.1143 10.4628 80.1144 -155.422 -65.5549 10.4631 -65.5538 -200.211 GPRESSURE: 3384200 -163.558 16.5646 -45.88 96.7377 -145.122 -104.117 -5.40388 -156.086 -214.758 PRESSAVG: 3384200 -14.0959 -52.0849 -4.8681 -52.0849 -22.715 -36.5307 -4.86805 -36.5306 7.34884 GPRESSAVG: 3384200 -15.4664 -52.2971 -3.25487 -53.1727 -22.3386 -36.7417 -4.25503 -35.0824 8.04036 TIMING: 3384200 CPU: 10573.3, 0.0030936/step Wall: 10573.3, 0.0030936/step, 1.38851 hours remaining, 234.156250 MB of memory in use. ENERGY: 3384200 4051.0694 20549.4368 14382.9455 251.3541 -203155.4617 2723.4396 0.0000 0.0000 51845.3773 -109351.8389 297.9561 -161197.2163 -108990.5200 298.4871 -199.1071 -174.4792 762765.2633 -9.8207 -9.9215 LDB: ============= START OF LOAD BALANCING ============== 10585.7 LDB: ============== END OF LOAD BALANCING =============== 10585.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10585.7 LDB: ============= START OF LOAD BALANCING ============== 10586.1 LDB: Largest compute 7031 load 0.030080 is 15.4% of average load 0.195087 LDB: Average compute 0.004394 is 2.3% of average load 0.195087 LDB: TIME 10586.1 LOAD: AVG 0.195087 MAX 0.215212 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.676 MB LDB: TIME 10586.1 LOAD: AVG 0.195087 MAX 0.215212 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.84 MB LDB: TIME 10586.1 LOAD: AVG 0.195087 MAX 0.215212 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.84 MB LDB: ============== END OF LOAD BALANCING =============== 10586.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10586.1 PRESSURE: 3384400 463.904 -132.961 78.5484 -132.961 42.8253 207.897 78.5483 207.897 261.366 GPRESSURE: 3384400 433.64 -220.905 10.4358 -141.44 147.219 216.903 27.0271 143.195 270.041 PRESSAVG: 3384400 -13.6628 -30.8469 32.1129 -30.8469 6.32507 -17.5278 32.1129 -17.5278 16.5932 GPRESSAVG: 3384400 -14.2212 -32.5514 31.661 -31.5633 6.83712 -17.8226 31.1356 -17.6197 16.3007 TIMING: 3384400 CPU: 10573.9, 0.00316172/step Wall: 10573.9, 0.00316172/step, 1.41891 hours remaining, 234.617188 MB of memory in use. ENERGY: 3384400 3935.7146 20363.5754 14376.4249 262.3031 -202994.1139 2793.5759 0.0000 0.0000 51935.9556 -109326.5644 298.4767 -161262.5200 -108959.7104 299.1328 256.0317 283.6335 760837.0467 3.0852 2.9722 PRESSURE: 3384600 -61.7446 -192.926 61.2215 -192.926 17.9676 46.1359 61.2217 46.1359 -25.9511 GPRESSURE: 3384600 -19.46 -148.189 -40.2695 -105.269 40.624 27.6113 -37.0228 129.938 -24.5307 PRESSAVG: 3384600 -29.7704 -18.0935 6.6258 -18.0935 4.38053 80.1215 6.62577 80.1214 4.77495 GPRESSAVG: 3384600 -29.3899 -15.9935 6.88807 -16.3324 3.37427 81.7309 3.43141 78.5572 5.22924 TIMING: 3384600 CPU: 10574.5, 0.00309256/step Wall: 10574.5, 0.00309256/step, 1.3877 hours remaining, 234.617188 MB of memory in use. ENERGY: 3384600 3993.1806 20578.8795 14452.5360 256.7230 -202965.3634 2560.3816 0.0000 0.0000 51807.2048 -109316.4579 297.7367 -161123.6627 -108956.7533 298.9668 -23.2427 -1.1222 761385.8999 -6.8716 -6.9288 PRESSURE: 3384800 366.778 -46.5598 -33.505 -46.5598 -166.822 -30.5361 -33.505 -30.5353 135.776 GPRESSURE: 3384800 480.505 -33.6917 -42.0398 -1.00089 -151.469 4.40162 133.216 -63.043 85.1723 PRESSAVG: 3384800 43.263 14.8014 27.0299 14.8014 26.6824 52.1515 27.0299 52.1516 11.5073 GPRESSAVG: 3384800 43.6008 16.5763 26.282 13.7782 27.2962 51.2557 30.3083 52.4154 10.7054 TIMING: 3384800 CPU: 10575.1, 0.00310292/step Wall: 10575.1, 0.00310292/step, 1.39218 hours remaining, 234.617188 MB of memory in use. ENERGY: 3384800 4009.6203 20539.1158 14430.5176 257.3623 -203355.1672 2842.3689 0.0000 0.0000 51984.3146 -109291.8676 298.7546 -161276.1822 -108921.2339 299.0990 111.9106 138.0693 759446.2962 27.1509 27.2008 PRESSURE: 3385000 -86.0468 -192.873 58.4784 -192.873 -27.9819 9.7376 58.4773 9.7372 -441.553 GPRESSURE: 3385000 -121.736 -139.491 86.3894 -146.254 -14.2178 2.07031 98.7983 11.6399 -345.564 PRESSAVG: 3385000 -7.11177 -15.4816 30.7762 -15.4815 35.0871 -0.198879 30.7762 -0.198998 -4.85712 GPRESSAVG: 3385000 -7.52744 -15.076 31.2349 -15.4322 34.7864 -2.03406 30.3193 2.50409 -4.33627 TIMING: 3385000 CPU: 10575.8, 0.00309478/step Wall: 10575.8, 0.00309478/step, 1.38835 hours remaining, 234.617188 MB of memory in use. ENERGY: 3385000 4012.4766 20528.6936 14495.5911 259.6510 -203412.8584 2583.3757 0.0000 0.0000 52097.2126 -109435.8577 299.4034 -161533.0704 -109068.8427 299.9493 -185.1939 -160.5060 760019.2334 7.7061 7.6409 PRESSURE: 3385200 -362.042 -17.1878 -71.6868 -17.188 -56.3137 190.943 -71.6867 190.942 201.275 GPRESSURE: 3385200 -277.673 0.587997 10.7344 -47.1337 -20.5401 48.0753 -207.837 158.561 132.397 PRESSAVG: 3385200 -8.44341 -24.8384 36.3063 -24.8384 66.0453 21.7605 36.3063 21.7605 30.0525 GPRESSAVG: 3385200 -7.12611 -25.5582 36.7856 -27.2063 65.394 22.6448 35.4479 20.854 29.5199 TIMING: 3385200 CPU: 10576.4, 0.00311602/step Wall: 10576.4, 0.00311602/step, 1.39771 hours remaining, 234.617188 MB of memory in use. ENERGY: 3385200 3990.6990 20579.6627 14467.1759 239.8457 -203533.1851 2449.9141 0.0000 0.0000 52053.9710 -109751.9167 299.1549 -161805.8877 -109389.7717 299.1922 -72.3601 -55.2720 758830.8238 29.2181 29.2626 PRESSURE: 3385400 -8.24572 20.5584 95.3246 20.5575 630.195 91.5678 95.3246 91.569 -257.626 GPRESSURE: 3385400 92.0418 105.313 -47.4779 -153.421 688.047 80.5801 218.156 119.656 -324.899 PRESSAVG: 3385400 4.88745 20.8204 -16.2875 20.8204 45.6113 -14.2425 -16.2875 -14.2424 2.68061 GPRESSAVG: 3385400 3.458 19.063 -16.2837 22.14 46.2855 -13.3081 -16.6443 -14.8864 3.11964 TIMING: 3385400 CPU: 10577, 0.00310046/step Wall: 10577, 0.00310046/step, 1.39056 hours remaining, 234.617188 MB of memory in use. ENERGY: 3385400 3994.1322 20480.4450 14444.7144 254.0619 -203830.8599 2942.8252 0.0000 0.0000 51922.1515 -109792.5296 298.3973 -161714.6811 -109432.6460 298.4675 121.4412 151.7300 760365.4316 17.7264 17.6211 PRESSURE: 3385600 54.9958 79.9106 139.548 79.9107 -57.423 -95.1147 139.549 -95.1148 -249.799 GPRESSURE: 3385600 118.122 86.5192 157.486 94.1981 11.7972 -58.0829 209.237 -130.549 -298.633 PRESSAVG: 3385600 -43.4822 -29.6151 -26.7211 -29.6152 46.0791 1.24492 -26.7212 1.24491 -8.39421 GPRESSAVG: 3385600 -43.7843 -27.8339 -25.6958 -31.0227 46.5429 2.22901 -26.2211 0.306964 -8.3374 TIMING: 3385600 CPU: 10577.6, 0.00310609/step Wall: 10577.6, 0.00310609/step, 1.39291 hours remaining, 234.617188 MB of memory in use. ENERGY: 3385600 3991.0220 20559.1867 14423.6164 222.0598 -203888.4686 2838.2417 0.0000 0.0000 51956.5900 -109897.7520 298.5952 -161854.3420 -109546.5738 298.6345 -84.0755 -56.2380 760612.0597 -1.9324 -1.8596 PRESSURE: 3385800 25.7481 -118.572 39.0471 -118.571 -29.8306 -250.203 39.0464 -250.203 303.163 GPRESSURE: 3385800 27.3738 -104.178 85.3649 -62.5993 -8.14407 -200.583 39.8874 -199.49 352.142 PRESSAVG: 3385800 -16.8323 -19.4732 29.6 -19.4732 40.7132 17.6877 29.5999 17.6877 21.8981 GPRESSAVG: 3385800 -16.4887 -19.6307 28.1698 -19.2106 40.0159 16.0957 30.2306 20.4732 22.5314 TIMING: 3385800 CPU: 10578.2, 0.0031124/step Wall: 10578.2, 0.0031124/step, 1.39556 hours remaining, 234.617188 MB of memory in use. ENERGY: 3385800 3951.6627 20710.5314 14438.7241 240.5533 -204117.7520 2966.2291 0.0000 0.0000 52189.1682 -109620.8831 299.9319 -161810.0514 -109261.8266 299.1859 99.6934 123.7907 759016.3696 15.2597 15.3529 PRESSURE: 3386000 -155.261 49.8762 154.228 49.8762 185.265 38.6325 154.229 38.6328 -20.162 GPRESSURE: 3386000 -98.3568 71.5888 193.724 69.8914 219.701 8.69748 157.398 62.8169 -16.721 PRESSAVG: 3386000 34.5874 13.7208 57.0485 13.7209 27.8469 -57.3529 57.0486 -57.353 18.0881 GPRESSAVG: 3386000 34.2481 12.5759 55.8214 15.2514 28.7847 -56.8991 57.2526 -58.078 16.9567 TIMING: 3386000 CPU: 10578.9, 0.00309748/step Wall: 10578.9, 0.00309748/step, 1.38871 hours remaining, 234.617188 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: 3386000 4027.1042 20621.3881 14406.2159 224.4925 -203546.2833 2641.4485 0.0000 0.0000 51988.6827 -109636.9514 298.7797 -161625.6341 -109269.7757 299.2018 3.2809 34.8745 760276.1522 26.8408 26.6631 PRESSURE: 3386200 19.2192 74.0381 49.7584 74.0376 196.32 -254.811 49.7578 -254.812 45.9883 GPRESSURE: 3386200 57.4507 -1.67005 5.27212 -53.9514 208.17 -193.45 25.9065 -329.206 75.6307 PRESSAVG: 3386200 -15.8344 -0.617688 -19.0136 -0.61764 6.93386 14.8366 -19.0136 14.8366 -9.14008 GPRESSAVG: 3386200 -15.7193 0.0246958 -16.7009 -1.32765 5.35189 15.8372 -18.991 15.3905 -8.36603 TIMING: 3386200 CPU: 10579.5, 0.00309765/step Wall: 10579.5, 0.00309765/step, 1.38861 hours remaining, 234.617188 MB of memory in use. ENERGY: 3386200 4037.4846 20468.3415 14470.7944 247.5224 -203765.4390 2749.5221 0.0000 0.0000 52118.2692 -109673.5048 299.5244 -161791.7741 -109308.6915 298.7978 87.1759 113.7504 760640.7123 -6.0135 -6.2445 PRESSURE: 3386400 -17.6443 -66.4845 108.894 -66.4848 -301.801 172.467 108.895 172.466 34.8273 GPRESSURE: 3386400 -14.4109 -114.364 40.251 -37.4784 -244.488 155.951 56.2194 152.953 77.0561 PRESSAVG: 3386400 26.5799 15.5674 -6.00408 15.5674 -25.1806 -37.3823 -6.0041 -37.3823 13.431 GPRESSAVG: 3386400 26.9353 11.8062 -7.53948 16.4779 -24.2732 -38.5109 -4.87295 -39.3425 12.7541 TIMING: 3386400 CPU: 10580.1, 0.0031062/step Wall: 10580.1, 0.0031062/step, 1.39227 hours remaining, 234.617188 MB of memory in use. ENERGY: 3386400 4102.9081 20517.8672 14420.7427 250.1756 -203991.5273 3127.2234 0.0000 0.0000 52214.1198 -109358.4905 300.0753 -161572.6104 -108994.5383 299.7146 -94.8727 -60.6141 762345.9627 4.9434 5.1387 PRESSURE: 3386600 54.9784 -41.844 172.39 -41.8445 -19.34 93.7672 172.39 93.7682 -31.2688 GPRESSURE: 3386600 19.4874 33.1491 178.582 -68.2692 72.9047 98.9556 162.908 -89.5349 -8.79634 PRESSAVG: 3386600 9.03601 -47.9393 37.3205 -47.9392 -29.0677 48.5211 37.3205 48.5211 10.6299 GPRESSAVG: 3386600 9.25261 -44.1979 36.4792 -48.9113 -29.2695 48.4611 36.7997 48.8451 10.7903 TIMING: 3386600 CPU: 10580.7, 0.00309044/step Wall: 10580.7, 0.00309044/step, 1.38503 hours remaining, 234.617188 MB of memory in use. ENERGY: 3386600 4008.2896 20466.3873 14419.1707 242.6851 -203482.6918 2651.4770 0.0000 0.0000 52167.6359 -109527.0463 299.8081 -161694.6822 -109163.1932 299.1717 1.4565 27.8652 761537.1126 -3.1339 -3.0755 PRESSURE: 3386800 -250.57 -286.861 50.9778 -286.862 261.087 -194.409 50.9782 -194.41 276.73 GPRESSURE: 3386800 -127.17 -212.89 71.857 -277.389 292.47 -170.97 31.2196 -54.4594 181.482 PRESSAVG: 3386800 48.2194 -17.3381 51.8558 -17.3381 -26.8536 -25.829 51.8558 -25.8289 6.50949 GPRESSAVG: 3386800 49.8759 -17.7835 54.317 -18.4321 -28.3816 -26.2834 50.8887 -24.7414 6.56052 TIMING: 3386800 CPU: 10581.3, 0.00310031/step Wall: 10581.3, 0.00310031/step, 1.38928 hours remaining, 234.875000 MB of memory in use. ENERGY: 3386800 4082.8183 20610.7363 14411.8855 263.0020 -203839.7770 2914.0016 0.0000 0.0000 52041.4463 -109515.8869 299.0829 -161557.3332 -109158.9895 298.6463 95.7490 115.5942 762244.6184 9.2918 9.3516 PRESSURE: 3387000 -34.0372 138.914 -50.9023 138.913 -263.969 -119.447 -50.9033 -119.446 -263.285 GPRESSURE: 3387000 6.03301 85.5223 -41.5307 158.872 -230.416 -128.42 -156.138 -219.035 -250.123 PRESSAVG: 3387000 11.9019 -59.1126 53.3051 -59.1126 0.473232 -18.8709 53.3051 -18.8708 7.90413 GPRESSAVG: 3387000 11.5385 -59.8701 52.4958 -59.3469 1.42246 -18.8127 52.9864 -20.0836 7.40488 TIMING: 3387000 CPU: 10582, 0.00309361/step Wall: 10582, 0.00309361/step, 1.38611 hours remaining, 234.875000 MB of memory in use. ENERGY: 3387000 3992.4542 20457.9390 14443.1791 231.7825 -203586.4631 2896.9095 0.0000 0.0000 52076.4432 -109487.7556 299.2840 -161564.1988 -109123.8735 299.0324 -187.0972 -158.1684 763424.0735 6.7598 6.7886 PRESSURE: 3387200 192.145 -205.3 91.1819 -205.299 -86.2035 71.0188 91.1818 71.0198 375.591 GPRESSURE: 3387200 207.724 -183.673 98.4146 -249.213 23.2728 114.789 157.291 121.268 340.454 PRESSAVG: 3387200 22.5349 -2.7112 -24.8368 -2.71115 -6.1126 13.3019 -24.8367 13.3019 2.4693 GPRESSAVG: 3387200 23.4439 -1.89067 -24.7348 -0.815786 -6.96766 13.2617 -22.0706 13.1479 2.41533 TIMING: 3387200 CPU: 10582.6, 0.00309689/step Wall: 10582.6, 0.00309689/step, 1.38741 hours remaining, 234.875000 MB of memory in use. ENERGY: 3387200 4011.1161 20469.2285 14390.1550 263.3743 -203983.2213 3228.9054 0.0000 0.0000 52122.0401 -109498.4021 299.5461 -161620.4422 -109145.2696 299.2568 160.5107 190.4837 762092.3965 6.2972 6.2972 PRESSURE: 3387400 -124.325 56.6875 23.2019 56.6869 -151.136 60.3323 23.2029 60.332 -174.694 GPRESSURE: 3387400 -80.2448 -16.8125 138.13 154.751 -117.991 32.3307 11.7543 -41.1613 -157.366 PRESSAVG: 3387400 -46.5272 -10.0624 -20.6399 -10.0624 68.7529 26.7353 -20.6399 26.7352 -5.57295 GPRESSAVG: 3387400 -48.442 -11.4408 -21.0128 -10.7421 69.6411 27.5823 -21.8387 26.4733 -4.72934 TIMING: 3387400 CPU: 10583.2, 0.00309584/step Wall: 10583.2, 0.00309584/step, 1.38676 hours remaining, 234.875000 MB of memory in use. ENERGY: 3387400 3989.9231 20570.0289 14417.4746 258.3105 -203661.9653 2746.5025 0.0000 0.0000 52115.6658 -109564.0599 299.5094 -161679.7257 -109208.1102 299.2581 -150.0517 -118.5337 762077.2773 5.5509 5.4899 PRESSURE: 3387600 -260.921 47.3848 -180.788 47.385 270.699 17.0434 -180.788 17.043 27.4246 GPRESSURE: 3387600 -194.64 59.9637 -154.091 21.101 214.871 94.5215 -97.1315 132.738 84.2145 PRESSAVG: 3387600 -30.172 -48.9689 17.6221 -48.9689 15.9371 -15.7261 17.6221 -15.726 -4.83975 GPRESSAVG: 3387600 -28.3528 -46.7175 16.8787 -48.8102 15.2302 -15.3784 16.9082 -14.3893 -5.56371 TIMING: 3387600 CPU: 10583.8, 0.00309253/step Wall: 10583.8, 0.00309253/step, 1.38511 hours remaining, 234.875000 MB of memory in use. ENERGY: 3387600 4022.6627 20662.7563 14528.9937 252.7769 -203637.3383 2799.0844 0.0000 0.0000 51990.6027 -109380.4616 298.7907 -161371.0643 -109028.4563 299.2573 12.4008 34.8150 763571.7690 -6.3582 -6.2288 PRESSURE: 3387800 298.399 191.091 85.876 191.092 159.799 12.8463 85.8766 12.8468 216.614 GPRESSURE: 3387800 305.336 68.8918 56.3497 203.639 160.464 87.3035 91.189 52.7157 282.264 PRESSAVG: 3387800 30.8911 0.0735636 -8.64305 0.0736604 26.1799 16.6018 -8.64312 16.6017 -5.8387 GPRESSAVG: 3387800 29.9439 -1.62654 -7.36848 1.87351 26.3992 16.8064 -7.10074 16.0496 -4.66933 TIMING: 3387800 CPU: 10584.4, 0.00311754/step Wall: 10584.4, 0.00311754/step, 1.39614 hours remaining, 234.875000 MB of memory in use. ENERGY: 3387800 4015.8280 20489.2482 14446.3333 238.0673 -203529.4446 2921.8091 0.0000 0.0000 52008.0466 -109410.1121 298.8910 -161418.1587 -109042.5602 299.5276 224.9372 249.3549 763025.9477 17.0774 17.2246 PRESSURE: 3388000 -17.3812 -55.4775 -17.8126 -55.4778 -194.208 -140.744 -17.8131 -140.743 251.079 GPRESSURE: 3388000 27.3259 -6.29226 -44.1617 -81.0833 -131.987 -133.236 -52.4936 14.8373 219.316 PRESSAVG: 3388000 -12.3686 -15.9205 2.58773 -15.9205 -8.32699 -8.03728 2.58775 -8.03732 -3.26055 GPRESSAVG: 3388000 -12.0111 -13.3278 3.47258 -17.816 -7.88066 -9.36734 3.35258 -8.24578 -3.76448 TIMING: 3388000 CPU: 10585.1, 0.00312069/step Wall: 10585.1, 0.00312069/step, 1.39738 hours remaining, 234.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3388000 3965.5314 20704.1097 14463.8580 262.4781 -203719.3543 2826.1991 0.0000 0.0000 52321.2526 -109175.9254 300.6910 -161497.1780 -108814.8378 299.7164 13.1632 38.2184 763990.4834 -7.9854 -7.8854 PRESSURE: 3388200 529.598 60.4249 145.617 60.4249 178.184 -66.493 145.618 -66.493 439.15 GPRESSURE: 3388200 491.456 -27.7013 118.059 67.9717 270.168 28.8003 51.2207 -83.6148 474.613 PRESSAVG: 3388200 1.32635 -0.91823 64.6697 -0.918214 -29.6833 25.6739 64.6697 25.6739 -4.69659 GPRESSAVG: 3388200 1.18212 -2.30304 63.6871 -0.867227 -29.8361 27.2391 62.4086 26.8404 -4.34723 TIMING: 3388200 CPU: 10585.7, 0.00312137/step Wall: 10585.7, 0.00312137/step, 1.39751 hours remaining, 234.875000 MB of memory in use. ENERGY: 3388200 3978.2068 20791.0682 14431.2064 238.7962 -203524.2480 3050.0499 0.0000 0.0000 52045.1813 -108989.7393 299.1044 -161034.9205 -108625.4322 300.3218 382.3107 412.0788 763060.9525 -11.0178 -11.0004 LDB: ============= START OF LOAD BALANCING ============== 10598.2 LDB: ============== END OF LOAD BALANCING =============== 10598.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10598.2 LDB: ============= START OF LOAD BALANCING ============== 10598.5 LDB: Largest compute 7031 load 0.029711 is 15.2% of average load 0.195266 LDB: Average compute 0.004401 is 2.3% of average load 0.195266 LDB: TIME 10598.5 LOAD: AVG 0.195266 MAX 0.212743 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.77 MB LDB: TIME 10598.5 LOAD: AVG 0.195266 MAX 0.212743 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.906 MB LDB: TIME 10598.5 LOAD: AVG 0.195266 MAX 0.212743 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.906 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: 3388400 -87.3322 49.5282 6.37757 49.528 17.1286 -84.8664 6.37747 -84.8667 159.586 GPRESSURE: 3388400 -70.3441 -41.5287 -2.36234 39.6581 12.1953 -53.985 104.972 -52.6375 219.719 PRESSAVG: 3388400 7.72933 1.82916 -16.1586 1.82918 4.59265 34.2417 -16.1586 34.2417 17.1329 GPRESSAVG: 3388400 7.38258 1.26782 -16.5281 2.20771 4.00479 32.4828 -14.4148 34.9841 17.9296 TIMING: 3388400 CPU: 10586.3, 0.00318083/step Wall: 10586.3, 0.00318083/step, 1.42395 hours remaining, 233.902344 MB of memory in use. ENERGY: 3388400 3919.9625 20544.5332 14498.8551 257.2014 -203802.3291 3030.7570 0.0000 0.0000 52253.3840 -109297.6357 300.3009 -161551.0197 -108930.6411 300.0601 29.7941 53.8565 763302.2588 9.8183 9.7723 PRESSURE: 3388600 -156.928 -98.4204 -29.3519 -98.4193 12.7661 18.2469 -29.3527 18.2468 -436.563 GPRESSURE: 3388600 -205.977 -70.5424 -7.74044 -186.92 100.376 -40.4588 -15 -27.2364 -371.445 PRESSAVG: 3388600 23.524 -6.84389 19.4511 -6.84388 17.4567 -5.43862 19.4511 -5.4386 -3.15235 GPRESSAVG: 3388600 23.5051 -7.27661 21.6494 -6.83586 17.6111 -5.13999 16.631 -7.14685 -3.79329 TIMING: 3388600 CPU: 10586.9, 0.00311981/step Wall: 10586.9, 0.00311981/step, 1.39646 hours remaining, 233.902344 MB of memory in use. ENERGY: 3388600 4091.8644 20544.9713 14450.4981 251.5157 -203347.5894 2583.6555 0.0000 0.0000 52151.1928 -109273.8915 299.7136 -161425.0843 -108910.1966 299.6378 -193.5750 -159.0150 762253.9959 12.6094 12.4409 PRESSURE: 3388800 -231.949 -143.816 93.4496 -143.815 -235.601 -75.8636 93.4492 -75.8638 -461.3 GPRESSURE: 3388800 -188.057 -163.001 26.4833 -32.6043 -165.236 -137.955 -69.7753 42.2972 -497.325 PRESSAVG: 3388800 -3.6596 -18.9922 2.36518 -18.9922 24.2455 17.6564 2.36521 17.6563 -11.5391 GPRESSAVG: 3388800 -3.87084 -17.2414 -0.136815 -20.0603 24.9874 17.5601 3.03553 18.1597 -12.2275 TIMING: 3388800 CPU: 10587.6, 0.00312393/step Wall: 10587.6, 0.00312393/step, 1.39813 hours remaining, 233.902344 MB of memory in use. ENERGY: 3388800 3959.0394 20569.2789 14489.9603 220.5143 -203019.6886 2451.3745 0.0000 0.0000 52250.8785 -109078.6429 300.2865 -161329.5214 -108712.5309 300.1521 -309.6165 -283.5396 762062.6267 3.0156 2.9630 PRESSURE: 3389000 123.461 -117.013 -0.471477 -117.015 73.8454 -45.2907 -0.471542 -45.2909 169.547 GPRESSURE: 3389000 190.052 -51.2421 -20.6834 -109.983 65.8656 -233.982 144.617 -0.502628 175.179 PRESSAVG: 3389000 22.199 -38.0711 3.74196 -38.071 6.8689 -12.6088 3.742 -12.6088 -5.01538 GPRESSAVG: 3389000 23.3942 -39.0396 6.84229 -37.1457 6.92169 -12.2307 3.7714 -11.8581 -5.72239 TIMING: 3389000 CPU: 10588.2, 0.00311335/step Wall: 10588.2, 0.00311335/step, 1.39322 hours remaining, 233.902344 MB of memory in use. ENERGY: 3389000 4005.9609 20731.7352 14461.0877 266.1431 -203620.1402 2960.3720 0.0000 0.0000 52164.3277 -109030.5136 299.7891 -161194.8413 -108662.4739 300.0212 122.2846 143.6989 760570.9094 8.0175 8.1978 PRESSURE: 3389200 406.148 174.467 -65.2532 174.467 18.684 -56.7366 -65.2528 -56.7361 -28.8863 GPRESSURE: 3389200 321.951 165.638 -100.013 138.626 106.653 51.1062 -52.2161 -25.2885 45.6249 PRESSAVG: 3389200 37.0563 -37.6884 13.7445 -37.6883 -45.7904 -10.5948 13.7444 -10.5948 -12.0732 GPRESSAVG: 3389200 36.7648 -38.2766 12.1753 -36.7417 -45.7222 -10.5157 12.9068 -9.5536 -12.4098 TIMING: 3389200 CPU: 10588.8, 0.00311671/step Wall: 10588.8, 0.00311671/step, 1.39455 hours remaining, 233.902344 MB of memory in use. ENERGY: 3389200 3992.1330 20435.9942 14413.9569 255.8647 -203463.6317 3049.9089 0.0000 0.0000 52157.8118 -109157.9621 299.7517 -161315.7739 -108793.7499 299.5131 131.9818 158.0765 762044.1725 -6.9358 -7.1224 PRESSURE: 3389400 -63.7979 77.1528 -180.95 77.1524 -178.112 0.424165 -180.95 0.423345 10.6923 GPRESSURE: 3389400 -32.1974 58.6632 -210.356 125.46 -166.74 61.4088 -202.389 43.078 63.1658 PRESSAVG: 3389400 -7.78007 33.8841 41.3172 33.8841 -10.1301 -3.50535 41.3173 -3.50533 -2.51118 GPRESSAVG: 3389400 -7.20145 34.8561 41.6163 33.1216 -10.9193 -6.20632 43.0451 -3.37348 -3.14115 TIMING: 3389400 CPU: 10589.4, 0.00312094/step Wall: 10589.4, 0.00312094/step, 1.39627 hours remaining, 233.902344 MB of memory in use. ENERGY: 3389400 3981.7492 20648.3935 14467.3650 265.7508 -203472.8715 2830.2534 0.0000 0.0000 52224.4274 -109054.9322 300.1345 -161279.3596 -108685.0092 299.9832 -77.0724 -45.2572 763950.4606 -6.8071 -7.0873 PRESSURE: 3389600 56.8724 81.6531 47.321 81.653 -273.806 87.9425 47.3207 87.9414 -204.891 GPRESSURE: 3389600 132.558 74.7873 1.24368 -6.79628 -344.523 128.319 -3.58736 151.13 -131.082 PRESSAVG: 3389600 38.1075 14.8205 -1.6331 14.8205 -3.35119 58.6274 -1.63309 58.6273 -26.1132 GPRESSAVG: 3389600 37.7824 14.5769 -2.1745 15.6694 -4.05451 62.8831 -3.00555 56.8934 -25.0375 TIMING: 3389600 CPU: 10590.1, 0.00313359/step Wall: 10590.1, 0.00313359/step, 1.40176 hours remaining, 233.902344 MB of memory in use. ENERGY: 3389600 4088.2785 20683.7365 14524.2229 241.0127 -203759.7840 2945.9727 0.0000 0.0000 52142.2514 -109134.3093 299.6622 -161276.5607 -108773.4136 300.1266 -140.6083 -114.3490 763147.8325 2.8810 2.8968 PRESSURE: 3389800 -136.724 206.032 48.0855 206.032 -75.7369 -59.1074 48.0853 -59.1082 261.513 GPRESSURE: 3389800 -108.887 43.0367 49.3747 28.9922 -21.7015 -66.5621 52.004 -173.028 263.59 PRESSAVG: 3389800 -26.7334 19.794 -56.8582 19.794 -5.074 38.5209 -56.8582 38.5209 4.57367 GPRESSAVG: 3389800 -27.76 19.7104 -54.7579 17.8765 -4.08746 34.6825 -56.9802 40.0841 4.49975 TIMING: 3389800 CPU: 10590.7, 0.00312498/step Wall: 10590.7, 0.00312498/step, 1.39773 hours remaining, 233.902344 MB of memory in use. ENERGY: 3389800 3977.2907 20404.6972 14508.6825 234.6750 -203435.8749 2823.1757 0.0000 0.0000 52331.7612 -109155.5926 300.7514 -161487.3538 -108786.9002 299.7900 16.3507 44.3337 763648.1886 -9.0779 -9.1159 PRESSURE: 3390000 -10.7072 -227.804 27.6435 -227.804 87.274 67.3977 27.6437 67.3988 -210.985 GPRESSURE: 3390000 -5.91357 -137.815 122.057 -105.951 101.423 25.5909 -65.6642 1.96162 -159.353 PRESSAVG: 3390000 -23.2936 -22.4771 12.7014 -22.4771 -1.45468 34.5758 12.7014 34.5759 -7.82374 GPRESSAVG: 3390000 -21.1627 -23.02 9.24339 -20.5399 -3.61994 37.1236 12.6473 31.5189 -8.16838 TIMING: 3390000 CPU: 10591.3, 0.00310747/step Wall: 10591.3, 0.00310747/step, 1.38973 hours remaining, 233.902344 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: 3390000 3989.9395 20782.1491 14446.7983 250.3347 -203499.8580 2760.0401 0.0000 0.0000 52043.0921 -109227.5042 299.0924 -161270.5963 -108867.1686 299.8062 -44.8060 -21.2814 763038.2866 -10.8574 -10.9837 PRESSURE: 3390200 -7.63587 -18.8119 304.061 -18.8121 -269.239 151.419 304.06 151.419 184.022 GPRESSURE: 3390200 25.1026 -7.22583 270.006 -106.343 -204.887 220.186 156.034 172.828 181.33 PRESSAVG: 3390200 -28.4651 -38.1232 -5.20265 -38.1232 12.2831 42.5375 -5.20265 42.5375 -7.83955 GPRESSAVG: 3390200 -30.8688 -37.7525 -3.40616 -41.1482 14.385 44.7367 -4.1029 43.1659 -7.55799 TIMING: 3390200 CPU: 10591.9, 0.00312068/step Wall: 10591.9, 0.00312068/step, 1.39546 hours remaining, 233.902344 MB of memory in use. ENERGY: 3390200 3986.2804 20558.9298 14369.9881 228.8758 -203489.5237 2837.9799 0.0000 0.0000 52204.9607 -109302.5090 300.0226 -161507.4697 -108927.4180 299.8178 -30.9509 0.5151 763481.9773 -8.0072 -8.0140 PRESSURE: 3390400 -382.053 118.744 74.8991 118.743 -211.32 104.173 74.8995 104.173 -89.4116 GPRESSURE: 3390400 -375.307 -28.0638 180.327 166.935 -103.059 68.2985 -18.8584 36.9272 -106.453 PRESSAVG: 3390400 -3.11464 22.0797 43.5939 22.0796 -27.2979 11.2014 43.5938 11.2013 20.9537 GPRESSAVG: 3390400 -1.72187 21.4727 45.1833 24.1858 -27.9055 8.96314 42.793 12.0937 20.7094 TIMING: 3390400 CPU: 10592.6, 0.00312584/step Wall: 10592.6, 0.00312584/step, 1.3976 hours remaining, 233.902344 MB of memory in use. ENERGY: 3390400 3961.1735 20607.4992 14416.7688 245.1930 -203559.3969 2810.8235 0.0000 0.0000 52301.8140 -109216.1249 300.5792 -161517.9389 -108845.4807 299.7723 -227.5946 -194.9399 762959.9107 -3.1530 -2.9727 PRESSURE: 3390600 -161.689 -116.495 -119.717 -116.495 -10.9951 27.6302 -119.717 27.63 -143.264 GPRESSURE: 3390600 -88.8914 -186.255 -133.468 -153.583 -89.2554 56.0561 -50.4523 69.3051 -77.4624 PRESSAVG: 3390600 -33.472 -15.8404 18.5708 -15.8404 5.27363 -12.8912 18.5708 -12.8911 -0.638096 GPRESSAVG: 3390600 -34.8616 -16.8666 16.027 -17.2575 6.74032 -12.2264 18.3494 -12.9231 -0.0698927 TIMING: 3390600 CPU: 10593.2, 0.00310227/step Wall: 10593.2, 0.00310228/step, 1.38689 hours remaining, 233.902344 MB of memory in use. ENERGY: 3390600 3994.2941 20550.0350 14400.8476 235.2663 -203229.4018 2499.0990 0.0000 0.0000 52354.7622 -109195.0976 300.8835 -161549.8598 -108820.3509 299.6185 -105.3161 -85.2030 764253.4666 -9.6122 -9.3970 PRESSURE: 3390800 3.51842 -110.285 -246.805 -110.285 53.0928 0.473279 -246.804 0.473842 -276.807 GPRESSURE: 3390800 96.8812 -43.7301 -242.748 -21.4636 2.81812 -13.1357 -34.0013 -124.247 -239.741 PRESSAVG: 3390800 6.29544 -33.8088 -25.2318 -33.8088 12.1001 47.4166 -25.2318 47.4166 -3.20412 GPRESSAVG: 3390800 7.91443 -32.1865 -23.9993 -31.6804 11.582 44.6686 -24.1328 48.9079 -3.76451 TIMING: 3390800 CPU: 10593.8, 0.00311673/step Wall: 10593.8, 0.00311673/step, 1.39318 hours remaining, 233.902344 MB of memory in use. ENERGY: 3390800 3988.0913 20497.4137 14484.2866 257.2395 -203456.2420 2847.5827 0.0000 0.0000 52229.4870 -109152.1413 300.1636 -161381.6282 -108795.7216 299.3969 -73.3987 -46.6804 763477.4321 5.0638 5.2440 PRESSURE: 3391000 -50.875 187.336 162.11 187.336 -285.232 95.6799 162.109 95.6806 -196.838 GPRESSURE: 3391000 -110.411 157.569 182.644 122.878 -151.307 132.556 178.228 9.00564 -205.022 PRESSAVG: 3391000 -16.7913 49.5625 -33.6981 49.5625 -47.7457 74.5576 -33.698 74.5575 -10.8568 GPRESSAVG: 3391000 -17.2462 49.1848 -33.5918 47.8735 -47.3963 76.1196 -33.4798 72.3196 -10.8647 TIMING: 3391000 CPU: 10594.4, 0.00310881/step Wall: 10594.4, 0.00310881/step, 1.38947 hours remaining, 233.902344 MB of memory in use. ENERGY: 3391000 4075.7690 20500.3094 14518.5957 265.6311 -203326.4073 2705.0486 0.0000 0.0000 52044.2583 -109216.7952 299.0991 -161261.0535 -108859.1275 299.7993 -177.6485 -155.5803 762911.3329 -25.1313 -25.1691 PRESSURE: 3391200 121.129 -199.921 -78.2484 -199.922 -123.834 154.246 -78.2481 154.246 -322.434 GPRESSURE: 3391200 108.125 -176.398 -41.9054 -214.859 -53.8161 61.6047 -172.508 201.257 -285.022 PRESSAVG: 3391200 -12.3959 -25.2307 -7.88203 -25.2307 55.6239 -28.8178 -7.88208 -28.8178 -3.17227 GPRESSAVG: 3391200 -10.9838 -24.6238 -7.46217 -25.383 55.144 -27.2533 -7.88022 -29.1614 -3.88789 TIMING: 3391200 CPU: 10595.1, 0.00310791/step Wall: 10595.1, 0.00310791/step, 1.38889 hours remaining, 233.902344 MB of memory in use. ENERGY: 3391200 4031.5855 20614.1122 14513.3394 243.8604 -203032.6799 2636.1294 0.0000 0.0000 52138.4264 -108855.2266 299.6403 -160993.6531 -108497.1803 300.0975 -108.3796 -76.9044 761751.9477 13.3519 13.4241 PRESSURE: 3391400 -447.443 22.6409 -46.5891 22.6408 90.9024 31.0651 -46.5895 31.065 56.9202 GPRESSURE: 3391400 -346.881 38.9649 -119.335 -7.05407 150.951 70.723 -40.9172 109.537 -43.2787 PRESSAVG: 3391400 -39.8085 -15.3561 -19.8774 -15.3561 -8.38657 27.3705 -19.8773 27.3705 -13.9131 GPRESSAVG: 3391400 -39.5933 -15.4302 -20.9328 -14.6348 -8.19332 27.0416 -19.3944 27.3126 -14.39 TIMING: 3391400 CPU: 10595.7, 0.00312039/step Wall: 10595.7, 0.00312039/step, 1.3943 hours remaining, 233.902344 MB of memory in use. ENERGY: 3391400 3967.2948 20650.3053 14430.3781 247.9928 -203455.1534 2707.7659 0.0000 0.0000 52413.5320 -109037.8844 301.2213 -161451.4164 -108667.8030 300.2200 -99.8736 -79.7363 764681.2541 -20.7027 -20.7255 PRESSURE: 3391600 158.216 0.628679 151.518 0.629361 -278.13 -41.2698 151.518 -41.2697 -138.324 GPRESSURE: 3391600 63.4446 -133.423 113.425 -26.1365 -166.144 -87.2807 93.7892 -94.9553 -80.2886 PRESSAVG: 3391600 -31.1699 -24.9389 2.65417 -24.9389 46.0698 -11.5194 2.65418 -11.5194 -9.48411 GPRESSAVG: 3391600 -33.0611 -25.0143 1.63322 -25.3178 46.9496 -11.5155 2.17637 -9.23419 -8.29244 TIMING: 3391600 CPU: 10596.3, 0.00311642/step Wall: 10596.3, 0.00311642/step, 1.39235 hours remaining, 233.902344 MB of memory in use. ENERGY: 3391600 3941.9250 20544.2677 14408.1073 235.3521 -203048.4600 2557.0163 0.0000 0.0000 52115.4801 -109246.3116 299.5084 -161361.7917 -108875.0032 299.8239 -86.0795 -60.9960 763705.2032 1.8053 1.8654 PRESSURE: 3391800 24.5115 242.105 262.416 242.105 -84.7184 23.1727 262.416 23.1721 -88.4543 GPRESSURE: 3391800 102.482 182.59 255.702 209.404 -118.675 40.7461 159.409 7.62806 -22.3751 PRESSAVG: 3391800 52.2345 -50.379 30.4956 -50.379 -24.4919 13.2542 30.4956 13.2543 1.57609 GPRESSAVG: 3391800 52.9265 -50.7135 32.19 -50.708 -25.0694 12.2526 28.9942 12.7793 1.21862 TIMING: 3391800 CPU: 10596.9, 0.00312076/step Wall: 10596.9, 0.00312076/step, 1.39411 hours remaining, 233.902344 MB of memory in use. ENERGY: 3391800 3975.5221 20451.0698 14502.0418 239.1417 -203238.5312 2682.1888 0.0000 0.0000 51942.1280 -109446.4391 298.5121 -161388.5671 -109075.9740 299.0861 -49.5537 -12.8561 762182.6752 9.7729 9.6919 PRESSURE: 3392000 -175.56 -51.0486 -144.142 -51.0484 88.3098 92.4395 -144.141 92.4384 3.41179 GPRESSURE: 3392000 -124.938 -67.697 -132.053 -115.068 237.348 141.598 -135.916 122.963 -92.4254 PRESSAVG: 3392000 68.4179 4.89427 -30.0617 4.8942 -40.0423 -40.2044 -30.0618 -40.2044 -7.20515 GPRESSAVG: 3392000 67.4311 4.70574 -32.4305 5.70026 -38.7984 -41.276 -29.5876 -38.7938 -7.54316 TIMING: 3392000 CPU: 10597.5, 0.00312089/step Wall: 10597.5, 0.00312089/step, 1.394 hours remaining, 233.902344 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: 3392000 3896.3702 20370.8271 14451.9923 232.4859 -203322.3900 2833.3446 0.0000 0.0000 52119.4024 -109417.9674 299.5309 -161537.3699 -109040.0003 298.7265 -27.9460 6.6615 762386.6512 7.0568 7.0299 PRESSURE: 3392200 -246.728 -34.9256 -68.8365 -34.9256 56.1626 -38.2409 -68.8358 -38.2404 212.056 GPRESSURE: 3392200 -213.658 8.05453 25.3773 -53.5296 98.5161 -100.092 -86.4941 -108.441 215.797 PRESSAVG: 3392200 -24.3614 1.69549 -64.1342 1.6955 40.2339 -20.11 -64.1343 -20.11 8.08859 GPRESSAVG: 3392200 -23.6569 1.96951 -61.3296 -0.287333 38.3027 -18.1525 -63.623 -24.0575 8.70566 TIMING: 3392200 CPU: 10598.2, 0.0031221/step Wall: 10598.2, 0.0031221/step, 1.39437 hours remaining, 233.902344 MB of memory in use. ENERGY: 3392200 3944.4950 20594.9223 14401.1566 261.5162 -202932.4431 2535.6799 0.0000 0.0000 51823.9631 -109370.7100 297.8330 -161194.6731 -109013.4510 298.6116 7.1635 33.5517 763583.6012 7.9870 7.7838 LDB: ============= START OF LOAD BALANCING ============== 10610.7 LDB: ============== END OF LOAD BALANCING =============== 10610.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10610.7 LDB: ============= START OF LOAD BALANCING ============== 10611 LDB: Largest compute 7031 load 0.030549 is 15.7% of average load 0.195162 LDB: Average compute 0.004381 is 2.2% of average load 0.195162 LDB: TIME 10611 LOAD: AVG 0.195162 MAX 0.215318 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.711 MB LDB: TIME 10611 LOAD: AVG 0.195162 MAX 0.215318 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.91 MB LDB: TIME 10611 LOAD: AVG 0.195162 MAX 0.215318 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.91 MB LDB: ============== END OF LOAD BALANCING =============== 10611 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10611 PRESSURE: 3392400 -113.126 40.9363 55.7319 40.9359 -134.006 -115.526 55.7313 -115.527 -109.261 GPRESSURE: 3392400 -166.435 5.73044 32.5122 30.2507 -6.71772 -97.7291 6.29392 -124.619 -79.562 PRESSAVG: 3392400 8.61489 22.34 -57.3689 22.34 -32.9354 -71.6245 -57.3689 -71.6245 -3.70544 GPRESSAVG: 3392400 8.64642 22.9466 -57.751 23.4825 -33.0679 -73.1148 -56.1856 -69.8083 -3.76298 TIMING: 3392400 CPU: 10598.8, 0.00319571/step Wall: 10598.8, 0.00319571/step, 1.42706 hours remaining, 234.878906 MB of memory in use. ENERGY: 3392400 3942.0647 20483.3658 14414.7846 240.4277 -203015.2870 2690.3401 0.0000 0.0000 51817.8926 -109426.4115 297.7981 -161244.3041 -109071.2392 298.6173 -118.7977 -84.2383 763054.7287 -9.3420 -9.3948 PRESSURE: 3392600 -84.5559 -107.138 -18.2751 -107.137 -209.887 64.0006 -18.2755 64.0007 -283.25 GPRESSURE: 3392600 -93.4434 26.2004 -25.2165 -176.223 -157.06 76.803 0.864873 85.0288 -240.681 PRESSAVG: 3392600 5.6189 -19.1742 -8.93677 -19.1742 -16.5159 1.62884 -8.93674 1.6289 -1.00104 GPRESSAVG: 3392600 4.31046 -20.2485 -8.67183 -18.5271 -15.9643 2.7111 -11.4295 2.23566 -0.717468 TIMING: 3392600 CPU: 10599.4, 0.00312285/step Wall: 10599.4, 0.00312285/step, 1.39435 hours remaining, 235.082031 MB of memory in use. ENERGY: 3392600 3965.8371 20450.2399 14458.2105 248.5139 -202832.4870 2209.6312 0.0000 0.0000 51870.7071 -109629.3474 298.1017 -161500.0545 -109268.2759 298.3954 -192.5644 -163.7281 763970.9784 -3.9660 -4.1238 PRESSURE: 3392800 -56.159 -89.8353 -24.6669 -89.8347 -188.308 -196.925 -24.6666 -196.924 -169.361 GPRESSURE: 3392800 -6.67966 -6.55654 46.3494 -77.1975 -184.394 -245.251 121.417 -122.5 -131.086 PRESSAVG: 3392800 -43.7511 -44.8726 -26.3527 -44.8727 20.7614 -19.3761 -26.3528 -19.3762 -16.2569 GPRESSAVG: 3392800 -43.528 -44.0432 -27.5555 -43.4876 21.2352 -20.595 -24.2316 -18.2875 -16.5286 TIMING: 3392800 CPU: 10600.1, 0.0031053/step Wall: 10600.1, 0.0031053/step, 1.38635 hours remaining, 235.082031 MB of memory in use. ENERGY: 3392800 3991.6293 20395.4841 14383.6353 256.8328 -203259.1598 2673.4152 0.0000 0.0000 52025.0782 -109533.0849 298.9888 -161558.1631 -109175.1460 298.3157 -137.9426 -107.3864 763722.3575 -13.0822 -12.9405 PRESSURE: 3393000 -308.128 -98.0216 -38.8323 -98.0213 -513.631 99.6179 -38.8324 99.618 -338.904 GPRESSURE: 3393000 -320.985 -23.9435 -47.687 -37.7741 -514.446 56.3871 -51.4768 105.769 -273.1 PRESSAVG: 3393000 19.7897 -23.5206 19.8803 -23.5207 -17.2008 -27.7724 19.8802 -27.7724 5.49011 GPRESSAVG: 3393000 20.692 -24.7628 21.9936 -24.8899 -17.368 -26.5915 18.7283 -27.268 4.47741 TIMING: 3393000 CPU: 10600.7, 0.003125/step Wall: 10600.7, 0.003125/step, 1.39497 hours remaining, 235.082031 MB of memory in use. ENERGY: 3393000 3994.1677 20412.9223 14377.2651 249.2654 -202991.0452 2472.0647 0.0000 0.0000 52037.5299 -109447.8300 299.0604 -161485.3599 -109080.3406 298.3296 -386.8876 -369.5102 764122.2621 2.6930 2.6005 PRESSURE: 3393200 37.922 -265.825 -51.2517 -265.825 15.0082 -58.1518 -51.2514 -58.1521 93.874 GPRESSURE: 3393200 13.5076 -268.237 26.0993 -301.807 100.57 -73.6734 -149.463 112.769 88.991 PRESSAVG: 3393200 0.439178 7.27751 -48.6502 7.27757 -33.1184 -38.478 -48.6502 -38.4781 -12.5081 GPRESSAVG: 3393200 -0.416198 8.96556 -49.8655 8.15074 -32.2229 -39.2439 -50.3961 -42.3721 -11.8942 TIMING: 3393200 CPU: 10601.3, 0.0031285/step Wall: 10601.3, 0.0031285/step, 1.39636 hours remaining, 235.082031 MB of memory in use. ENERGY: 3393200 4003.3733 20511.9453 14409.8512 219.8215 -203354.1152 3010.3727 0.0000 0.0000 51872.8319 -109325.9193 298.1139 -161198.7513 -108973.2501 298.7227 48.9347 67.6896 763084.3728 -15.0624 -14.8444 PRESSURE: 3393400 92.6953 -34.7293 -4.18827 -34.7295 331.809 154.619 -4.18816 154.617 -0.398573 GPRESSURE: 3393400 155.989 -71.2195 -8.45309 -171.442 248.732 252.033 67.3864 71.2232 95.885 PRESSAVG: 3393400 -34.6307 -44.6568 -1.17393 -44.6568 45.3232 -7.23887 -1.17389 -7.2389 13.0882 GPRESSAVG: 3393400 -33.7787 -42.9963 -1.42263 -47.5721 44.1351 -6.81502 0.982396 -5.09553 13.8131 TIMING: 3393400 CPU: 10601.9, 0.00311483/step Wall: 10601.9, 0.00311483/step, 1.39008 hours remaining, 235.082031 MB of memory in use. ENERGY: 3393400 3886.8330 20646.5604 14439.3570 260.1458 -203334.3906 2652.6314 0.0000 0.0000 52019.7153 -109429.1477 298.9580 -161448.8630 -109067.0048 298.9029 141.3687 166.8686 763263.6355 7.9269 8.0565 PRESSURE: 3393600 -62.9705 49.6364 -92.0603 49.6367 69.7256 55.7314 -92.0601 55.7313 216.576 GPRESSURE: 3393600 -63.9947 -6.13454 4.80103 20.4435 136.968 75.1528 -131.238 28.3518 247.132 PRESSAVG: 3393600 2.31897 -30.4688 5.2878 -30.4688 8.40436 20.9787 5.28783 20.9788 -15.8218 GPRESSAVG: 3393600 1.8054 -31.7744 5.9071 -29.1523 9.17864 21.0512 4.36029 21.4093 -15.4983 TIMING: 3393600 CPU: 10602.6, 0.00311901/step Wall: 10602.6, 0.00311901/step, 1.39177 hours remaining, 235.082031 MB of memory in use. ENERGY: 3393600 3992.5301 20401.9581 14392.7838 250.1310 -202986.4678 2497.5691 0.0000 0.0000 51866.5704 -109584.9253 298.0779 -161451.4957 -109219.1706 298.9319 74.4438 106.7020 761885.3938 -1.6995 -1.5047 PRESSURE: 3393800 -74.9573 -24.0376 62.8681 -24.0373 5.61184 156.921 62.8679 156.921 74.6999 GPRESSURE: 3393800 -29.492 -101.397 -16.281 -18.5356 115.377 38.7561 120.85 116.397 -4.24718 PRESSAVG: 3393800 -28.2985 -34.8191 -53.9499 -34.8192 17.8848 -7.07328 -53.9499 -7.07329 13.1109 GPRESSAVG: 3393800 -27.7763 -35.3263 -54.488 -36.1661 18.1433 -7.55777 -56.3233 -9.05436 12.3865 TIMING: 3393800 CPU: 10603.2, 0.00310842/step Wall: 10603.2, 0.00310842/step, 1.38687 hours remaining, 235.082031 MB of memory in use. ENERGY: 3393800 3982.0676 20566.9317 14365.6015 243.5260 -203481.1252 2790.0051 0.0000 0.0000 51867.0405 -109665.9528 298.0806 -161532.9933 -109307.6497 298.6052 1.7848 27.2126 761665.9742 0.8991 0.9178 PRESSURE: 3394000 158.435 19.1479 114.677 19.1479 528.113 26.2531 114.677 26.2535 193.506 GPRESSURE: 3394000 204.282 20.9654 180.831 -10.3693 608.201 44.4876 89.6463 106.221 130.387 PRESSAVG: 3394000 -35.6328 -39.5856 22.5728 -39.5856 43.508 -43.6014 22.5729 -43.6014 12.535 GPRESSAVG: 3394000 -36.4532 -41.1673 23.9518 -38.4106 43.0857 -41.3236 23.3252 -45.1478 14.1388 TIMING: 3394000 CPU: 10603.8, 0.00312045/step Wall: 10603.8, 0.00312045/step, 1.39207 hours remaining, 235.082031 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: 3394000 4045.7201 20472.8540 14410.3591 256.5226 -203451.3232 2821.6216 0.0000 0.0000 51731.0128 -109713.2330 297.2988 -161444.2458 -109359.9728 298.6369 293.3513 314.2901 761385.8951 6.8034 6.9238 PRESSURE: 3394200 -24.5078 -91.2165 240.646 -91.2166 51.2819 61.6648 240.645 61.664 -285.453 GPRESSURE: 3394200 20.7941 -104.276 177.824 -65.4372 126.001 -2.36175 296.332 121.33 -332.571 PRESSAVG: 3394200 -28.1551 -31.666 50.5583 -31.666 25.8428 28.052 50.5582 28.0519 -17.8574 GPRESSAVG: 3394200 -26.7119 -28.9773 48.9271 -34.1438 25.2896 26.61 52.4517 30.3574 -18.5161 TIMING: 3394200 CPU: 10604.4, 0.00312081/step Wall: 10604.4, 0.00312081/step, 1.39206 hours remaining, 235.082031 MB of memory in use. ENERGY: 3394200 4050.3568 20540.9295 14432.3431 252.0426 -203706.2332 2748.1056 0.0000 0.0000 52169.4815 -109512.9740 299.8187 -161682.4556 -109164.1138 298.5047 -86.2264 -61.9252 762052.4895 -6.7232 -6.6461 PRESSURE: 3394400 -256.345 -60.0268 -92.4021 -60.0268 64.6635 73.066 -92.4022 73.0647 20.7425 GPRESSURE: 3394400 -260.443 -62.4708 -78.7007 -105.109 105.51 27.7185 -71.2149 101.755 72.9525 PRESSAVG: 3394400 -3.04653 -67.4157 1.36052 -67.4157 33.9832 15.5884 1.36053 15.5884 -0.663509 GPRESSAVG: 3394400 -2.82613 -67.7288 2.19014 -66.6612 35.2876 16.437 -0.831014 13.72 -1.74813 TIMING: 3394400 CPU: 10605, 0.00311296/step Wall: 10605, 0.00311296/step, 1.38838 hours remaining, 235.082031 MB of memory in use. ENERGY: 3394400 4100.4672 20596.9957 14365.5552 257.5632 -203131.5810 2343.3112 0.0000 0.0000 51867.0670 -109600.6215 298.0807 -161467.6885 -109242.6039 298.9283 -56.9796 -27.3267 762482.5135 10.0910 10.2378 PRESSURE: 3394600 -310.833 198.331 98.1754 198.33 -71.9934 44.6401 98.1757 44.6406 -184.609 GPRESSURE: 3394600 -242.243 254.834 97.1956 217.637 -46.954 78.6783 141.941 110.503 -208.829 PRESSAVG: 3394600 -37.1279 -28.5329 -32.2254 -28.5329 16.279 6.16195 -32.2254 6.16194 4.35959 GPRESSAVG: 3394600 -37.6538 -28.7491 -32.0484 -25.5991 15.5291 5.21456 -30.4172 7.1547 4.98799 TIMING: 3394600 CPU: 10605.7, 0.00310394/step Wall: 10605.7, 0.00310394/step, 1.38418 hours remaining, 235.082031 MB of memory in use. ENERGY: 3394600 3983.8282 20494.9929 14465.0264 228.2472 -203459.0154 2834.5606 0.0000 0.0000 51930.9145 -109521.4456 298.4477 -161452.3601 -109154.6887 298.8742 -189.1450 -166.0087 763508.8620 -5.4964 -5.7122 PRESSURE: 3394800 14.8698 100.76 -122.466 100.761 89.2588 -152.201 -122.466 -152.199 11.083 GPRESSURE: 3394800 77.9185 38.0432 -227.214 160.955 67.5526 -196.523 -73.6775 -61.127 48.7748 PRESSAVG: 3394800 -73.8834 31.3686 4.38428 31.3685 48.2915 -21.2671 4.38424 -21.267 18.3721 GPRESSAVG: 3394800 -72.7805 30.1379 3.94211 31.0345 48.2726 -19.9658 3.85545 -19.949 17.7929 TIMING: 3394800 CPU: 10606.3, 0.0031044/step Wall: 10606.3, 0.0031044/step, 1.38422 hours remaining, 235.082031 MB of memory in use. ENERGY: 3394800 3920.4167 20689.6351 14502.9280 232.2796 -203637.5805 2978.7676 0.0000 0.0000 51827.8056 -109485.7479 297.8551 -161313.5535 -109140.4993 299.3800 38.4039 64.7487 761434.9857 -2.4066 -2.2383 PRESSURE: 3395000 176.621 -66.0095 19.0565 -66.01 -54.4939 135.293 19.0558 135.293 175.104 GPRESSURE: 3395000 158.911 -30.4918 -52.969 -32.1517 15.7368 76.9169 43.3304 179.145 212.599 PRESSAVG: 3395000 -27.8314 -6.66708 21.9648 -6.6671 80.4446 9.20014 21.9648 9.20016 -3.7156 GPRESSAVG: 3395000 -29.7546 -6.43687 22.3875 -7.79213 80.7534 8.64696 24.3348 6.78318 -2.91193 TIMING: 3395000 CPU: 10606.9, 0.00309398/step Wall: 10606.9, 0.00309398/step, 1.3794 hours remaining, 235.082031 MB of memory in use. ENERGY: 3395000 4025.8099 20381.5893 14346.6030 251.7379 -203546.7817 2860.9659 0.0000 0.0000 52273.3808 -109406.6948 300.4158 -161680.0756 -109039.5000 298.8677 99.0771 129.0823 762822.5390 16.2992 16.0290 PRESSURE: 3395200 -295.206 -175.394 81.5918 -175.393 -218.755 200.039 81.5917 200.04 -41.0904 GPRESSURE: 3395200 -214.584 -118.477 179.632 -146.068 -182.486 147.909 120.002 19.9884 -90.4131 PRESSAVG: 3395200 -5.14383 -17.896 75.1184 -17.8961 1.44977 60.9545 75.1184 60.9546 -4.10789 GPRESSAVG: 3395200 -5.03971 -18.8608 75.0165 -17.5686 0.768517 61.6676 71.8158 61.6011 -4.42453 TIMING: 3395200 CPU: 10607.5, 0.00311337/step Wall: 10607.5, 0.00311337/step, 1.38787 hours remaining, 235.082031 MB of memory in use. ENERGY: 3395200 3985.9983 20529.3944 14428.7306 231.7918 -203399.4627 2762.4080 0.0000 0.0000 51932.4400 -109528.6996 298.4564 -161461.1396 -109166.1447 299.1288 -185.0171 -162.4943 761594.2247 -2.6006 -2.8986 PRESSURE: 3395400 -26.2681 -99.2084 189.127 -99.2086 -170.861 -100.902 189.127 -100.902 -92.1177 GPRESSURE: 3395400 -75.7591 -108.178 200.352 -15.5408 -40.0696 -128.147 199.266 -34.7479 -71.1021 PRESSAVG: 3395400 -33.3493 15.5101 24.0966 15.5101 58.2759 38.0893 24.0967 38.0893 5.87837 GPRESSAVG: 3395400 -34.283 15.2761 22.5661 16.7162 58.7285 36.6898 24.9334 39.1153 6.74839 TIMING: 3395400 CPU: 10608.2, 0.00310707/step Wall: 10608.2, 0.00310707/step, 1.38489 hours remaining, 235.082031 MB of memory in use. ENERGY: 3395400 4040.2756 20510.6772 14470.1368 231.0804 -203689.2468 3031.7219 0.0000 0.0000 52171.5908 -109233.7641 299.8308 -161405.3549 -108872.6298 299.4729 -96.4155 -62.3103 761120.1528 10.2683 10.3980 PRESSURE: 3395600 147.589 -62.8709 58.8742 -62.8707 -48.6094 -119.919 58.8736 -119.919 -256.64 GPRESSURE: 3395600 191.594 -1.91486 118.812 19.0513 5.39334 -80.6893 98.5944 -125.131 -259.003 PRESSAVG: 3395600 -29.9036 -15.3274 26.0215 -15.3274 23.5152 30.2571 26.0214 30.2571 3.5131 GPRESSAVG: 3395600 -27.7414 -12.9594 27.7441 -16.6061 23.6577 31.2267 27.2957 30.0094 1.69672 TIMING: 3395600 CPU: 10608.8, 0.00310683/step Wall: 10608.8, 0.00310683/step, 1.38461 hours remaining, 235.082031 MB of memory in use. ENERGY: 3395600 4026.7973 20570.7390 14443.8721 238.7312 -203544.3411 2625.4883 0.0000 0.0000 52209.2305 -109429.4827 300.0472 -161638.7132 -109056.1384 299.5093 -52.5535 -20.6720 762520.3113 -0.9584 -0.7956 PRESSURE: 3395800 -73.7006 -0.234667 -314.84 -0.234541 91.8854 196.759 -314.842 196.758 155.599 GPRESSURE: 3395800 -48.5554 98.1278 -262.837 -14.6997 140.627 178.249 -222.044 93.3164 169.549 PRESSAVG: 3395800 5.29026 0.963835 21.4054 0.963884 6.58062 37.2029 21.4054 37.203 -3.38436 GPRESSAVG: 3395800 5.35519 2.36996 20.5388 0.553496 7.46991 38.365 21.2254 36.1281 -3.86708 TIMING: 3395800 CPU: 10609.4, 0.00311405/step Wall: 10609.4, 0.00311405/step, 1.38766 hours remaining, 235.082031 MB of memory in use. ENERGY: 3395800 3992.8249 20387.4783 14471.1982 249.9794 -203339.7105 2282.1732 0.0000 0.0000 52109.7446 -109846.3120 299.4754 -161956.0566 -109481.3881 298.7032 57.9280 87.2068 762391.0533 2.8288 2.9860 PRESSURE: 3396000 498.992 12.9688 205.322 12.9689 224.974 -135.717 205.322 -135.717 153.765 GPRESSURE: 3396000 480.058 47.7989 213.815 -56.605 276.458 -132.209 98.6421 -203.128 193.359 PRESSAVG: 3396000 -8.9108 -62.4847 -4.68483 -62.4847 57.756 54.373 -4.68487 54.3731 -4.40373 GPRESSAVG: 3396000 -10.3444 -65.1181 -5.34814 -61.1662 58.0267 53.5149 -5.14593 55.3175 -4.21776 TIMING: 3396000 CPU: 10610, 0.00312456/step Wall: 10610, 0.00312456/step, 1.39217 hours remaining, 235.082031 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: 3396000 4008.4934 20290.4186 14384.0886 273.2945 -203971.6674 3042.5586 0.0000 0.0000 51958.6471 -110014.1666 298.6071 -161972.8137 -109655.7778 298.2882 292.5771 316.6254 760376.2266 14.8138 14.4882 PRESSURE: 3396200 22.2038 -128.079 -12.2962 -128.079 98.7704 -12.6455 -12.2965 -12.6458 212.164 GPRESSURE: 3396200 126.051 -65.4552 27.6655 -93.1665 144.537 33.2888 -17.6613 109.835 134.237 PRESSAVG: 3396200 -7.3217 -69.95 -21.3907 -69.9501 10.8121 0.546139 -21.3907 0.546193 4.93911 GPRESSAVG: 3396200 -6.41154 -68.3934 -20.9927 -70.8992 9.1226 -0.578286 -20.1619 0.344943 5.78558 TIMING: 3396200 CPU: 10610.6, 0.00311636/step Wall: 10610.6, 0.00311636/step, 1.38834 hours remaining, 235.082031 MB of memory in use. ENERGY: 3396200 3983.0778 20601.2359 14484.5083 248.8157 -203558.1873 2631.4257 0.0000 0.0000 51675.6632 -109933.4606 296.9807 -161609.1238 -109570.6230 298.0035 111.0462 134.9417 761086.0757 2.8098 2.8322 LDB: ============= START OF LOAD BALANCING ============== 10623.1 LDB: ============== END OF LOAD BALANCING =============== 10623.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10623.1 LDB: ============= START OF LOAD BALANCING ============== 10623.4 LDB: Largest compute 7077 load 0.029753 is 15.3% of average load 0.195047 LDB: Average compute 0.004394 is 2.3% of average load 0.195047 LDB: TIME 10623.4 LOAD: AVG 0.195047 MAX 0.21391 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 10623.4 LOAD: AVG 0.195047 MAX 0.21391 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.086 MB LDB: TIME 10623.4 LOAD: AVG 0.195047 MAX 0.21391 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.086 MB LDB: ============== END OF LOAD BALANCING =============== 10623.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10623.4 PRESSURE: 3396400 -304.469 -107.077 89.1929 -107.077 -315.568 41.1307 89.1922 41.1308 -325.653 GPRESSURE: 3396400 -199.605 -33.5589 33.7815 -253.354 -297.615 39.5782 64.1972 -98.2948 -357.284 PRESSAVG: 3396400 8.80094 2.54111 77.4218 2.54109 -30.6091 -0.678936 77.4218 -0.678865 14.2892 GPRESSAVG: 3396400 9.9469 2.83755 77.935 1.94276 -30.4093 -1.50625 76.3649 -1.27678 13.2411 TIMING: 3396400 CPU: 10611.3, 0.0031793/step Wall: 10611.3, 0.0031793/step, 1.4162 hours remaining, 234.242188 MB of memory in use. ENERGY: 3396400 3974.8214 20536.2126 14420.3118 241.8178 -203470.1300 2481.9483 0.0000 0.0000 51836.6397 -109978.3785 297.9059 -161815.0182 -109615.5904 297.6095 -315.2297 -284.8348 762262.7200 -2.5063 -2.4071 PRESSURE: 3396600 -352.93 97.9273 -227.842 97.9269 -330.979 72.4916 -227.842 72.491 -30.4201 GPRESSURE: 3396600 -212.474 -45.5273 -139.943 66.3739 -351.303 109.214 -225.813 51.1898 -76.4079 PRESSAVG: 3396600 -15.2339 -14.4097 -2.2852 -14.4097 32.6166 -9.38687 -2.28519 -9.38696 0.900744 GPRESSAVG: 3396600 -15.6906 -17.0173 -2.24554 -12.3105 32.5121 -6.6355 -4.03728 -9.63644 2.1336 TIMING: 3396600 CPU: 10611.9, 0.00311777/step Wall: 10611.9, 0.00311777/step, 1.38862 hours remaining, 234.308594 MB of memory in use. ENERGY: 3396600 3982.0959 20451.4556 14411.2367 242.6555 -203578.1084 2852.5052 0.0000 0.0000 51797.7818 -109840.3778 297.6826 -161638.1596 -109475.3672 298.1384 -238.1096 -213.3947 761310.6171 6.0945 6.3184 PRESSURE: 3396800 -11.8559 -157.512 -216.517 -157.511 -173.204 28.3142 -216.518 28.315 -7.14623 GPRESSURE: 3396800 -75.0784 -107.55 -210.805 -125.094 -117.858 6.84652 -47.835 -148.856 64.2626 PRESSAVG: 3396800 23.0735 32.6041 -35.0498 32.6041 5.38995 21.7618 -35.0498 21.7618 11.0244 GPRESSAVG: 3396800 22.6063 32.943 -34.9669 31.3341 5.98151 19.8473 -33.1604 22.7104 10.7566 TIMING: 3396800 CPU: 10612.5, 0.00310893/step Wall: 10612.5, 0.00310893/step, 1.38451 hours remaining, 234.308594 MB of memory in use. ENERGY: 3396800 4058.4359 20698.3320 14471.7394 248.6463 -203886.6117 2865.0174 0.0000 0.0000 51784.0912 -109760.3495 297.6039 -161544.4407 -109407.3172 297.9276 -64.0686 -42.8912 761968.6393 13.1626 13.1148 PRESSURE: 3397000 -621.678 252.78 125.097 252.779 191.25 -165.761 125.098 -165.761 -9.10349 GPRESSURE: 3397000 -485.385 183.418 31.2285 151.947 152.274 -206.71 98.1408 -4.8123 -55.2797 PRESSAVG: 3397000 -40.4512 -44.0457 18.1236 -44.0457 42.099 -22.877 18.1236 -22.877 -14.2908 GPRESSAVG: 3397000 -39.5237 -44.6948 17.1758 -43.5189 41.8062 -22.5208 18.2129 -23.4506 -14.1464 TIMING: 3397000 CPU: 10613.1, 0.00311955/step Wall: 10613.1, 0.00311955/step, 1.38906 hours remaining, 234.308594 MB of memory in use. ENERGY: 3397000 4042.0483 20541.6609 14512.2812 238.8771 -203614.1021 2513.0605 0.0000 0.0000 52186.5774 -109579.5968 299.9170 -161766.1742 -109222.9709 298.9133 -146.5105 -129.4635 760438.8198 -4.2143 -3.9546 PRESSURE: 3397200 -121.908 -88.3552 76.0475 -88.3563 -360.08 13.4608 76.0469 13.4612 -708.184 GPRESSURE: 3397200 -73.7282 -63.0594 27.0552 -145.874 -366.345 53.2279 48.6238 -72.4622 -664.674 PRESSAVG: 3397200 -43.8509 26.3574 6.82442 26.3574 33.038 25.2975 6.8245 25.2975 12.838 GPRESSAVG: 3397200 -43.9649 27.4472 8.13172 24.1426 33.1874 26.4933 5.73845 23.9942 12.5566 TIMING: 3397200 CPU: 10613.8, 0.00310472/step Wall: 10613.8, 0.00310472/step, 1.38229 hours remaining, 234.308594 MB of memory in use. ENERGY: 3397200 4115.2631 20581.3620 14443.7793 231.9760 -203522.5907 2433.0619 0.0000 0.0000 52109.9114 -109607.2369 299.4764 -161717.1483 -109252.3875 298.8997 -396.7238 -368.2492 760998.2761 0.6750 0.5930 PRESSURE: 3397400 -143.93 -115.663 -101.907 -115.663 -132.203 120.881 -101.907 120.881 -209.358 GPRESSURE: 3397400 -142.354 -117.949 -50.7812 -40.6214 -159.389 115.782 -197.98 37.7063 -109.66 PRESSAVG: 3397400 -3.04772 -19.3026 -5.1835 -19.3026 -8.25581 8.82077 -5.18349 8.82082 -12.4101 GPRESSAVG: 3397400 -4.46426 -19.7856 -5.8034 -16.9315 -7.84834 6.48487 -4.30618 9.43834 -11.7161 TIMING: 3397400 CPU: 10614.4, 0.00311317/step Wall: 10614.4, 0.00311317/step, 1.38588 hours remaining, 234.308594 MB of memory in use. ENERGY: 3397400 4052.1747 20590.1807 14489.7729 247.1797 -203748.8209 2698.9914 0.0000 0.0000 52079.8575 -109590.6639 299.3037 -161670.5214 -109229.1786 299.5260 -161.8305 -137.1344 760044.9120 -7.9045 -8.0096 PRESSURE: 3397600 168.826 144.805 -82.6432 144.805 -143.737 5.166 -82.6426 5.16724 -150.763 GPRESSURE: 3397600 176.575 193.575 -170.784 141.969 -41.8782 130.143 -59.931 -12.746 -150.556 PRESSAVG: 3397600 22.4595 -50.3607 -41.557 -50.3606 -36.6523 -41.2404 -41.5569 -41.2403 13.4527 GPRESSAVG: 3397600 23.5624 -48.7515 -42.644 -51.748 -36.7432 -39.0278 -42.4699 -41.2719 12.8904 TIMING: 3397600 CPU: 10615, 0.00312078/step Wall: 10615, 0.00312078/step, 1.38909 hours remaining, 234.308594 MB of memory in use. ENERGY: 3397600 4006.6467 20464.3756 14432.0509 248.5277 -203318.0901 2559.9093 0.0000 0.0000 51915.4234 -109691.1565 298.3587 -161606.5799 -109325.2200 298.9610 -41.8914 -5.2865 760386.8204 -0.2467 -0.0968 PRESSURE: 3397800 -105.69 40.6371 -30.9448 40.6363 107.562 123.263 -30.9442 123.263 -122.946 GPRESSURE: 3397800 -19.3601 21.931 -0.995144 -9.1043 114.3 121.036 -90.8993 199.56 -159.602 PRESSAVG: 3397800 23.9659 -20.5382 42.9908 -20.5383 -29.1327 -62.5051 42.9908 -62.5051 2.49918 GPRESSAVG: 3397800 23.4666 -23.605 45.2426 -20.421 -29.8067 -64.809 42.2923 -61.4669 3.92452 TIMING: 3397800 CPU: 10615.6, 0.00311955/step Wall: 10615.6, 0.00311955/step, 1.38837 hours remaining, 234.308594 MB of memory in use. ENERGY: 3397800 4041.2709 20703.1778 14492.4029 249.6599 -203764.9002 2951.4570 0.0000 0.0000 51989.9399 -109336.9919 298.7869 -161326.9318 -108969.3937 299.4135 -40.3580 -21.5538 760875.0273 -0.8892 -0.8052 PRESSURE: 3398000 306.644 131.913 137.892 131.913 -112.639 -15.3571 137.892 -15.3565 -80.5379 GPRESSURE: 3398000 257.188 100.697 122.864 73.0407 -12.2678 -112.526 95.6521 -124.87 -57.3832 PRESSAVG: 3398000 82.5382 -17.3806 78.6895 -17.3806 -39.8729 -28.8743 78.6896 -28.8743 -7.08021 GPRESSAVG: 3398000 82.6222 -15.4032 77.5985 -18.0455 -38.2234 -27.771 80.4203 -30.2092 -9.16613 TIMING: 3398000 CPU: 10616.3, 0.00312421/step Wall: 10616.3, 0.00312421/step, 1.39027 hours remaining, 234.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3398000 3925.6093 20622.3702 14391.6037 244.2597 -203074.8955 2583.7183 0.0000 0.0000 51991.0864 -109316.2479 298.7935 -161307.3343 -108958.1623 299.7620 37.8225 62.5125 764006.4858 11.8617 11.7442 PRESSURE: 3398200 -253.469 61.5914 313.264 61.5921 256.714 -151.561 313.264 -151.561 385.41 GPRESSURE: 3398200 -107.225 -93.5822 403.283 -18.8123 161.692 -114.667 230.611 -134.071 426.231 PRESSAVG: 3398200 13.7613 41.9397 48.1983 41.9397 -15.1313 -59.6637 48.1983 -59.6637 -12.673 GPRESSAVG: 3398200 14.4383 39.1522 49.8679 41.7604 -16.5071 -58.9928 45.9471 -59.8865 -11.5684 TIMING: 3398200 CPU: 10616.9, 0.00311697/step Wall: 10616.9, 0.00311697/step, 1.38688 hours remaining, 234.308594 MB of memory in use. ENERGY: 3398200 3977.0835 20614.0909 14418.6776 247.1490 -203392.1471 2761.2973 0.0000 0.0000 52099.0033 -109274.8454 299.4137 -161373.8488 -108908.3203 299.3974 129.5518 160.2327 761870.8022 -4.6810 -4.5458 PRESSURE: 3398400 49.7175 1.16413 115.735 1.16391 43.2055 -51.4336 115.735 -51.4344 76.2126 GPRESSURE: 3398400 85.8977 38.1913 170.39 -16.609 142.903 -32.6103 -34.4541 -103.809 35.6632 PRESSAVG: 3398400 6.18352 -12.4271 16.789 -12.4271 0.805156 -38.8358 16.7889 -38.8358 19.2491 GPRESSAVG: 3398400 5.28978 -9.79421 14.5217 -12.3544 1.34071 -39.4142 17.4553 -37.9345 18.8831 TIMING: 3398400 CPU: 10617.5, 0.00312393/step Wall: 10617.5, 0.00312393/step, 1.3898 hours remaining, 234.308594 MB of memory in use. ENERGY: 3398400 4032.7338 20566.6015 14397.3897 258.2833 -203316.8612 2821.4250 0.0000 0.0000 51960.2170 -109280.2111 298.6161 -161240.4281 -108917.8618 299.5472 56.3785 88.1545 763452.2245 8.7459 8.5045 PRESSURE: 3398600 -106.592 117.162 -94.4992 117.162 97.1268 72.5566 -94.4996 72.5562 -130.757 GPRESSURE: 3398600 -15.7815 115.223 -33.6476 229.025 142.478 96.2578 41.5221 82.2734 -184.126 PRESSAVG: 3398600 -35.4797 25.2489 -16.9669 25.2489 38.5227 53.5859 -16.967 53.5858 20.5852 GPRESSAVG: 3398600 -34.8432 25.9305 -16.1119 25.3605 38.0615 52.9139 -16.0773 54.865 20.4001 TIMING: 3398600 CPU: 10618.1, 0.00312579/step Wall: 10618.1, 0.00312579/step, 1.39046 hours remaining, 234.308594 MB of memory in use. ENERGY: 3398600 3941.5535 20634.8064 14373.0066 236.9058 -203309.1557 2594.3272 0.0000 0.0000 52035.0499 -109493.5064 299.0461 -161528.5563 -109131.5558 299.1796 -46.7408 -19.1431 763901.2574 7.8760 7.8728 PRESSURE: 3398800 -9.0818 54.8652 -121.192 54.8651 -158.925 -27.883 -121.193 -27.8838 -367.6 GPRESSURE: 3398800 -89.5448 94.9191 -105.51 -127.421 -70.0544 1.99254 -120.227 -68.7813 -307.468 PRESSAVG: 3398800 -64.1609 20.1657 1.29104 20.1657 65.2243 -1.66216 1.29105 -1.66208 13.4446 GPRESSAVG: 3398800 -64.9639 20.5409 1.30428 19.1104 65.9703 0.641287 1.27762 -5.36346 12.9376 TIMING: 3398800 CPU: 10618.8, 0.00313399/step Wall: 10618.8, 0.00313399/step, 1.39393 hours remaining, 234.308594 MB of memory in use. ENERGY: 3398800 3983.2435 20587.2241 14409.5994 236.2733 -203090.0455 2590.2168 0.0000 0.0000 51940.9196 -109342.5688 298.5052 -161283.4884 -108980.0196 299.4798 -178.5359 -155.6892 762841.6631 4.8360 4.6480 PRESSURE: 3399000 -4.53974 -224.876 -52.8255 -224.875 141.989 -161.564 -52.8251 -161.564 -362.839 GPRESSURE: 3399000 0.702075 -99.27 -61.102 -170.65 98.8845 -17.9659 -35.2737 -146.529 -228.12 PRESSAVG: 3399000 -51.4537 -17.2523 -35.4741 -17.2523 46.1207 -52.8551 -35.474 -52.8551 -18.587 GPRESSAVG: 3399000 -51.2794 -17.4486 -35.32 -16.854 45.1782 -51.7272 -35.2426 -52.9064 -17.9922 TIMING: 3399000 CPU: 10619.4, 0.00313245/step Wall: 10619.4, 0.00313245/step, 1.39307 hours remaining, 234.308594 MB of memory in use. ENERGY: 3399000 3989.0812 20511.7608 14418.3243 232.5451 -202915.4499 2211.2841 0.0000 0.0000 52111.2533 -109441.2012 299.4841 -161552.4545 -109069.8298 299.1480 -75.1299 -42.8443 761896.8234 -7.9733 -8.0311 PRESSURE: 3399200 -71.8785 -154.248 -8.03094 -154.248 -367.336 -107.182 -8.02962 -107.182 207.131 GPRESSURE: 3399200 -120.812 -59.8973 -74.1864 -165.141 -238.479 -112.178 34.3709 -25.8514 229.279 PRESSAVG: 3399200 5.50363 -55.743 9.91395 -55.7429 -8.54774 -45.6488 9.91387 -45.6488 22.8996 GPRESSAVG: 3399200 4.75666 -56.2186 8.60146 -56.3934 -7.14818 -48.3209 11.6724 -42.1489 22.4919 TIMING: 3399200 CPU: 10620, 0.00314722/step Wall: 10620, 0.00314722/step, 1.39946 hours remaining, 234.308594 MB of memory in use. ENERGY: 3399200 3921.7382 20446.4342 14398.0479 248.6394 -202932.5105 2561.2869 0.0000 0.0000 52021.6965 -109334.6675 298.9694 -161356.3640 -108971.9750 298.8424 -77.3611 -43.3371 763725.3487 6.6185 6.7001 PRESSURE: 3399400 -17.6706 -194.827 27.969 -194.827 -76.5072 14.2526 27.9681 14.2522 280.229 GPRESSURE: 3399400 77.649 -41.6929 62.7087 -143.38 6.66603 -20.2668 82.6584 142.15 193.162 PRESSAVG: 3399400 1.45418 -50.8336 6.10357 -50.8336 -29.2809 0.73327 6.10355 0.733255 27.4265 GPRESSAVG: 3399400 1.71597 -49.8316 7.57737 -49.9893 -28.7922 0.57203 3.59291 0.110529 25.9278 TIMING: 3399400 CPU: 10620.7, 0.00313989/step Wall: 10620.7, 0.00313989/step, 1.39603 hours remaining, 234.308594 MB of memory in use. ENERGY: 3399400 3980.5454 20531.1011 14337.5004 249.9505 -202887.9078 2372.5048 0.0000 0.0000 52091.6981 -109324.6075 299.3717 -161416.3056 -108953.2149 298.6939 62.0169 92.4923 763945.1007 -0.1334 -0.3828 PRESSURE: 3399600 203.418 -195.448 -293.037 -195.448 -203.509 198.199 -293.037 198.2 7.42629 GPRESSURE: 3399600 177.25 -42.2552 -316.062 -180.216 -93.497 197.858 -185.6 219.578 25.5205 PRESSAVG: 3399600 -19.3046 -26.417 -21.1044 -26.4169 28.5754 -29.7508 -21.1044 -29.7508 -8.61004 GPRESSAVG: 3399600 -20.5529 -25.4066 -21.5757 -26.6266 27.2689 -29.2879 -21.2552 -30.1442 -5.86355 TIMING: 3399600 CPU: 10621.3, 0.00311309/step Wall: 10621.3, 0.00311309/step, 1.38394 hours remaining, 234.308594 MB of memory in use. ENERGY: 3399600 4023.1933 20396.4238 14350.1181 233.8800 -203075.4207 2686.7339 0.0000 0.0000 52284.8849 -109100.1867 300.4820 -161385.0715 -108730.8354 299.4055 2.4451 36.4243 763729.4004 0.2203 0.2842 PRESSURE: 3399800 52.2384 -133.305 -421.326 -133.305 -295.017 -92.4582 -421.326 -92.4594 289.539 GPRESSURE: 3399800 61.5013 10.6162 -405.966 -122.195 -217.2 -155.361 -304.876 -134.705 280.096 PRESSAVG: 3399800 25.626 -31.1141 -16.9962 -31.114 -37.5786 -35.6084 -16.9962 -35.6085 0.870902 GPRESSAVG: 3399800 27.7199 -32.591 -17.7687 -31.1044 -37.4338 -36.5679 -13.9681 -35.7918 -1.15962 TIMING: 3399800 CPU: 10621.9, 0.00310788/step Wall: 10621.9, 0.00310788/step, 1.38145 hours remaining, 234.308594 MB of memory in use. ENERGY: 3399800 3949.9289 20359.3358 14430.0961 251.4053 -203179.3939 2669.1896 0.0000 0.0000 52587.0280 -108932.4103 302.2184 -161519.4383 -108576.2426 299.6343 15.5868 41.4657 762398.9663 -3.6939 -3.6245 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 3400000 WRITING COORDINATES TO RESTART FILE AT STEP 3400000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3400000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3400000 164.854 192.016 20.4341 192.017 105.844 -127.564 20.4341 -127.565 33.3663 GPRESSURE: 3400000 291.986 74.1379 -67.5158 156.617 98.1208 -218.654 -34.9141 -213.829 6.65882 PRESSAVG: 3400000 7.35106 14.79 -45.5945 14.7901 -14.3868 -22.9308 -45.5946 -22.9308 -5.82718 GPRESSAVG: 3400000 6.51375 14.8536 -45.6596 14.1079 -13.7777 -22.419 -45.8249 -24.9182 -5.94992 TIMING: 3400000 CPU: 10622.5, 0.00323011/step Wall: 10622.5, 0.00323011/step, 1.4356 hours remaining, 234.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3400000 3987.3789 20614.4434 14389.9579 256.9457 -203297.2568 2704.5189 0.0000 0.0000 52084.3579 -109259.6542 299.3295 -161344.0122 -108901.9937 300.1419 101.3548 132.2550 761510.2580 -4.2876 -4.4046 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3400000 PRESSURE: 3400200 -63.6031 142.282 26.3614 142.282 -166.047 -178.96 26.3609 -178.96 -100.87 GPRESSURE: 3400200 -29.9516 50.5781 -24.8816 181.483 -140.883 -188.574 38.4943 -92.0861 -61.7307 PRESSAVG: 3400200 10.9677 -13.9898 14.8101 -13.9898 11.9155 -54.2102 14.8102 -54.2102 -15.2074 GPRESSAVG: 3400200 11.3972 -14.247 15.7974 -14.0429 11.7446 -53.2009 11.7083 -53.1328 -15.4449 TIMING: 3400200 CPU: 10623.2, 0.00311043/step Wall: 10623.2, 0.00311043/step, 1.38224 hours remaining, 234.308594 MB of memory in use. ENERGY: 3400200 3993.9032 20497.2101 14374.1988 252.8116 -202678.8296 2271.9203 0.0000 0.0000 52122.4234 -109166.3621 299.5483 -161288.7855 -108801.4276 299.8324 -110.1736 -77.5217 761655.9864 2.5586 2.5656 LDB: ============= START OF LOAD BALANCING ============== 10635.6 LDB: ============== END OF LOAD BALANCING =============== 10635.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10635.6 LDB: ============= START OF LOAD BALANCING ============== 10636 LDB: Largest compute 7007 load 0.029510 is 15.1% of average load 0.195147 LDB: Average compute 0.004390 is 2.2% of average load 0.195147 LDB: TIME 10636 LOAD: AVG 0.195147 MAX 0.213899 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.785 MB LDB: TIME 10636 LOAD: AVG 0.195147 MAX 0.213899 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.785 MB LDB: TIME 10636 LOAD: AVG 0.195147 MAX 0.213899 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.785 MB LDB: ============== END OF LOAD BALANCING =============== 10636 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10636 PRESSURE: 3400400 -90.2519 393.432 -188.615 393.431 -34.2553 57.3443 -188.615 57.3456 -170.884 GPRESSURE: 3400400 -27.7126 392.522 -153.195 259.941 -18.202 105.914 -3.14807 -115.857 -170.289 PRESSAVG: 3400400 -53.4934 -7.0185 3.79729 -7.01846 83.0424 16.1008 3.79735 16.1009 6.01612 GPRESSAVG: 3400400 -54.0274 -5.65871 3.74486 -6.0335 83.2269 14.9463 6.05719 16.5869 6.14039 TIMING: 3400400 CPU: 10623.8, 0.00319781/step Wall: 10623.8, 0.00319781/step, 1.42089 hours remaining, 233.785156 MB of memory in use. ENERGY: 3400400 4061.6505 20434.2933 14408.5623 254.4859 -202808.9905 2425.5369 0.0000 0.0000 52059.9623 -109164.4993 299.1893 -161224.4615 -108801.5832 299.8789 -98.4637 -72.0678 760803.8857 11.8550 11.7800 PRESSURE: 3400600 -439.319 -99.2104 498.583 -99.2099 -45.9852 -31.4128 498.582 -31.4127 -133.311 GPRESSURE: 3400600 -461.242 -86.5895 382.477 -70.8861 39.5812 -28.8497 450.664 36.3691 -84.5177 PRESSAVG: 3400600 -21.2589 -44.4798 44.4358 -44.4798 46.5842 1.26639 44.4359 1.26632 9.78162 GPRESSAVG: 3400600 -20.3006 -44.5253 43.6053 -46.1138 45.9921 0.831084 42.0353 2.21409 9.82556 TIMING: 3400600 CPU: 10624.4, 0.00313149/step Wall: 10624.4, 0.0031315/step, 1.39125 hours remaining, 233.785156 MB of memory in use. ENERGY: 3400600 4049.4330 20570.5013 14431.5719 262.7938 -203783.2892 2851.0998 0.0000 0.0000 52316.1482 -109301.7414 300.6616 -161617.8896 -108926.9431 300.3795 -206.2053 -168.7263 759991.4792 11.7023 11.8390 PRESSURE: 3400800 -46.0788 -2.02945 -42.9259 -2.0304 -46.5046 52.4879 -42.9262 52.4891 -313.725 GPRESSURE: 3400800 21.6189 -19.8922 14.9798 -18.7902 -48.7141 5.73476 -104.591 1.06933 -307.572 PRESSAVG: 3400800 13.1338 24.9709 13.3425 24.971 -5.98113 0.422543 13.3425 0.422535 4.71757 GPRESSAVG: 3400800 12.0924 23.4357 12.9387 24.3019 -5.49716 -0.126057 15.0962 1.29999 5.43711 TIMING: 3400800 CPU: 10625.1, 0.00311081/step Wall: 10625.1, 0.00311081/step, 1.38189 hours remaining, 233.785156 MB of memory in use. ENERGY: 3400800 3982.0287 20540.3713 14431.7166 257.5146 -203334.2473 2725.8853 0.0000 0.0000 52093.2537 -109303.4771 299.3806 -161396.7308 -108942.5793 299.2742 -135.4363 -111.5558 760923.3351 3.9568 4.0108 PRESSURE: 3401000 -49.4726 -295.632 74.6746 -295.633 44.1108 222.055 74.6749 222.054 129.728 GPRESSURE: 3401000 -29.1334 -207.497 139.716 -166.06 36.0211 152.109 167.796 108.807 184.411 PRESSAVG: 3401000 -35.7164 -66.2636 -6.86272 -66.2637 18.8686 5.34256 -6.86269 5.34253 27.2547 GPRESSAVG: 3401000 -34.8653 -65.7517 -6.65769 -64.2154 17.8056 4.95839 -7.00218 3.1029 27.3052 TIMING: 3401000 CPU: 10625.7, 0.00312242/step Wall: 10625.7, 0.00312242/step, 1.38687 hours remaining, 233.785156 MB of memory in use. ENERGY: 3401000 3977.6147 20714.7412 14399.6146 249.4834 -203260.6851 2545.6234 0.0000 0.0000 52069.2244 -109304.3835 299.2425 -161373.6078 -108946.8202 299.3313 41.4555 63.7661 762805.1174 3.4689 3.4152 PRESSURE: 3401200 -230.128 -80.102 321.445 -80.1028 -381.188 -67.8648 321.446 -67.8645 22.2829 GPRESSURE: 3401200 -241.465 12.6014 186.902 -41.2575 -239.002 -28.049 457.729 -47.3008 -25.3174 PRESSAVG: 3401200 -44.994 29.9558 31.1705 29.9559 7.79078 -46.5436 31.1706 -46.5436 1.76246 GPRESSAVG: 3401200 -44.622 28.3854 30.9103 31.3899 8.39962 -45.1747 31.8682 -45.7294 0.892862 TIMING: 3401200 CPU: 10626.3, 0.00313482/step Wall: 10626.3, 0.00313482/step, 1.39221 hours remaining, 233.785156 MB of memory in use. ENERGY: 3401200 4002.0878 20718.1956 14384.2283 243.8631 -203197.9970 2752.0469 0.0000 0.0000 51806.8317 -109290.7435 297.7346 -161097.5752 -108937.1700 299.3130 -196.3443 -168.5951 762646.8277 -11.8136 -11.7765 PRESSURE: 3401400 107.778 2.19083 -191.488 2.19124 461.241 50.2599 -191.488 50.2602 265.723 GPRESSURE: 3401400 118.395 15.107 -146.027 -89.6114 445.56 68.3755 -284.242 55.3912 355.985 PRESSAVG: 3401400 -17.883 -3.45355 38.0192 -3.45356 49.6062 -33.9881 38.0192 -33.9881 11.2982 GPRESSAVG: 3401400 -19.3644 -3.05159 38.0348 -5.61047 48.9442 -32.9474 36.552 -33.1408 12.4348 TIMING: 3401400 CPU: 10626.9, 0.00310477/step Wall: 10626.9, 0.00310477/step, 1.37869 hours remaining, 233.785156 MB of memory in use. ENERGY: 3401400 3950.0763 20410.2665 14415.0949 249.1939 -203150.6547 2743.9801 0.0000 0.0000 52070.9540 -109311.0889 299.2525 -161382.0430 -108955.8278 299.1470 278.2475 306.6462 762382.6064 14.3405 14.0049 PRESSURE: 3401600 -137.407 -22.4566 158.314 -22.4579 -25.8765 217.511 158.315 217.512 -331.044 GPRESSURE: 3401600 -86.5234 28.7917 171.624 28.1089 -87.1632 189.725 153.148 238.289 -244.278 PRESSAVG: 3401600 16.3825 -59.8563 33.7269 -59.8563 10.1664 -37.7908 33.7269 -37.7908 -19.9152 GPRESSAVG: 3401600 16.7799 -58.5516 35.9033 -59.0578 9.97247 -37.7683 31.4395 -37.525 -19.9842 TIMING: 3401600 CPU: 10627.5, 0.00309938/step Wall: 10627.5, 0.00309938/step, 1.37612 hours remaining, 233.785156 MB of memory in use. ENERGY: 3401600 3943.3618 20526.2114 14436.7648 252.2050 -203519.4142 2703.3009 0.0000 0.0000 52503.5866 -109153.9838 301.7388 -161657.5704 -108788.3730 299.7217 -164.7760 -139.3214 764326.4434 2.2112 2.2561 PRESSURE: 3401800 166.231 78.5205 178.649 78.5201 269.66 -87.3 178.649 -87.2996 60.5246 GPRESSURE: 3401800 103.014 5.20447 125.407 77.7947 276.932 -8.55157 220.649 34.4713 202.521 PRESSAVG: 3401800 -50.3777 -43.5749 -10.8855 -43.5749 18.5193 32.3138 -10.8854 32.3138 -15.8574 GPRESSAVG: 3401800 -50.5642 -45.4651 -10.017 -45.526 19.3589 31.647 -9.43998 31.577 -16.5912 TIMING: 3401800 CPU: 10628.2, 0.0031188/step Wall: 10628.2, 0.0031188/step, 1.38457 hours remaining, 233.785156 MB of memory in use. ENERGY: 3401800 4001.3301 20458.6287 14436.2501 246.6423 -203138.3706 2730.0785 0.0000 0.0000 52281.5760 -108983.8649 300.4629 -161265.4409 -108619.3020 299.8132 165.4720 194.1558 764769.3823 -15.9053 -15.9322 PRESSURE: 3402000 163.159 -53.9706 135.371 -53.969 -99.2293 -73.9781 135.37 -73.9785 41.6822 GPRESSURE: 3402000 217.757 -52.7925 236.462 -149.651 -55.4965 -94.6155 66.4009 -110.778 14.2225 PRESSAVG: 3402000 -43.9613 -54.0875 15.0939 -54.0875 42.8468 8.79147 15.094 8.79146 21.0235 GPRESSAVG: 3402000 -44.2379 -52.2341 14.1511 -52.6299 42.6908 7.25295 16.1324 9.67509 21.4673 TIMING: 3402000 CPU: 10628.8, 0.00312062/step Wall: 10628.8, 0.00312062/step, 1.38521 hours remaining, 233.785156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3402000 3983.7358 20495.0067 14556.2664 256.5075 -203783.1612 3158.4050 0.0000 0.0000 52302.4615 -109030.7783 300.5830 -161333.2398 -108675.8137 300.5387 35.2041 58.8277 763129.6550 6.6364 6.6401 PRESSURE: 3402200 -134.093 -42.7052 9.90894 -42.7059 107.803 -18.9613 9.908 -18.9616 12.6483 GPRESSURE: 3402200 -14.0384 17.5163 -51.9607 66.4425 53.3512 -19.1919 60.0125 20.4138 15.6798 PRESSAVG: 3402200 -16.1448 26.266 -5.4479 26.266 49.1243 -3.87933 -5.44789 -3.87933 0.748694 GPRESSAVG: 3402200 -15.8966 25.3998 -6.67747 26.942 49.3173 -1.94098 -5.82878 -4.9036 0.222537 TIMING: 3402200 CPU: 10629.4, 0.00311658/step Wall: 10629.4, 0.00311658/step, 1.38324 hours remaining, 233.785156 MB of memory in use. ENERGY: 3402200 4081.3883 20739.1747 14469.5650 241.4412 -203016.5686 2364.6731 0.0000 0.0000 52107.5103 -109012.8160 299.4626 -161120.3262 -108660.0527 300.0571 -4.5472 18.3309 763240.7460 11.2427 11.2144 PRESSURE: 3402400 22.4276 -197.325 -143.781 -197.325 -2.42748 -288.487 -143.782 -288.487 27.0801 GPRESSURE: 3402400 116.464 -207.271 -107.577 -272.726 -49.9787 -260.474 -202.959 -238.014 54.6794 PRESSAVG: 3402400 15.3898 -15.0621 0.522327 -15.0621 -35.665 -29.1307 0.522362 -29.1307 -9.9746 GPRESSAVG: 3402400 14.977 -15.5987 -0.028235 -16.8188 -35.3392 -31.3523 -0.0754788 -27.9586 -10.2204 TIMING: 3402400 CPU: 10630, 0.00311064/step Wall: 10630, 0.00311064/step, 1.38043 hours remaining, 233.785156 MB of memory in use. ENERGY: 3402400 4040.6044 20380.1347 14443.9529 246.9388 -203386.9939 2845.7167 0.0000 0.0000 52172.9915 -109256.6550 299.8389 -161429.6465 -108880.8975 299.7450 15.6934 40.3881 762841.8061 -10.0833 -10.1942 PRESSURE: 3402600 -232.884 -142.04 0.371082 -142.04 -251.395 -38.6287 0.371418 -38.6292 -293.222 GPRESSURE: 3402600 -208.324 -125.005 18.7426 -25.1705 -199.846 -41.4565 122.392 -139.479 -276.12 PRESSAVG: 3402600 -28.8292 29.7276 -8.56027 29.7276 25.956 36.2141 -8.56025 36.2141 1.08029 GPRESSAVG: 3402600 -28.638 30.8168 -8.25256 31.3118 25.4584 37.5924 -7.51815 35.5597 1.47363 TIMING: 3402600 CPU: 10630.7, 0.00311086/step Wall: 10630.7, 0.00311086/step, 1.38036 hours remaining, 233.785156 MB of memory in use. ENERGY: 3402600 3943.8043 20431.6819 14494.6837 239.0351 -203067.9405 2369.0781 0.0000 0.0000 52245.3118 -109344.3456 300.2545 -161589.6574 -108975.3770 299.5667 -259.1669 -228.0967 761462.9456 -0.5976 -0.5687 PRESSURE: 3402800 -180.375 122.392 78.9304 122.393 110.536 87.9378 78.9304 87.9376 45.0853 GPRESSURE: 3402800 -140.486 159.161 -17.1795 126.86 79.628 86.7924 152.878 141.827 100.156 PRESSAVG: 3402800 14.5497 27.9876 48.5059 27.9876 -42.0281 30.095 48.5059 30.095 26.6574 GPRESSAVG: 3402800 14.6516 26.5929 46.9659 28.5397 -42.1955 29.824 49.5259 30.6835 27.0992 TIMING: 3402800 CPU: 10631.3, 0.00312703/step Wall: 10631.3, 0.00312703/step, 1.38736 hours remaining, 233.785156 MB of memory in use. ENERGY: 3402800 4005.0880 20647.6454 14452.4069 242.9917 -203003.9079 2586.2992 0.0000 0.0000 51770.8936 -109298.5831 297.5280 -161069.4767 -108941.9785 299.8176 -8.2513 13.0993 762791.4384 -0.2737 -0.1482 PRESSURE: 3403000 6.45817 10.3983 232.055 10.3985 175.283 275.41 232.055 275.41 301.545 GPRESSURE: 3403000 100.949 32.4287 233.887 -32.5431 216.685 245.917 174.153 381.86 243.385 PRESSAVG: 3403000 -38.8068 14.7905 -22.7972 14.7905 22.6607 12.4119 -22.7973 12.4118 -17.8883 GPRESSAVG: 3403000 -38.2152 14.8278 -21.6212 14.9818 22.8315 11.8523 -23.6593 10.3766 -18.8838 TIMING: 3403000 CPU: 10631.9, 0.00311334/step Wall: 10631.9, 0.00311334/step, 1.38111 hours remaining, 233.785156 MB of memory in use. ENERGY: 3403000 3992.0749 20591.1115 14382.9558 240.5331 -203073.3466 2568.8391 0.0000 0.0000 52228.4711 -109069.3611 300.1577 -161297.8322 -108720.7258 299.4934 161.0954 187.0060 762452.3846 -11.3448 -11.4225 PRESSURE: 3403200 -434.971 74.6528 -418.948 74.6532 110.518 -293.372 -418.949 -293.372 -279.462 GPRESSURE: 3403200 -357.555 5.56185 -411.093 24.2303 67.4998 -293.104 -327.049 -124.434 -227.71 PRESSAVG: 3403200 -36.4779 -14.0687 -31.1439 -14.0686 53.9572 -18.7029 -31.1439 -18.703 17.3382 GPRESSAVG: 3403200 -36.0374 -13.6764 -30.8776 -13.9318 54.0595 -18.4413 -30.9081 -17.9852 17.023 TIMING: 3403200 CPU: 10632.5, 0.00309472/step Wall: 10632.5, 0.00309472/step, 1.37268 hours remaining, 233.785156 MB of memory in use. ENERGY: 3403200 3882.6327 20376.1226 14432.9325 253.8316 -203103.5099 2790.0396 0.0000 0.0000 52264.8892 -109103.0616 300.3670 -161367.9509 -108734.7693 299.9860 -201.3051 -172.5885 765434.0347 11.6058 11.6817 PRESSURE: 3403400 157.587 52.5374 -114.838 52.5376 87.0661 102.622 -114.839 102.622 273.237 GPRESSURE: 3403400 224.959 45.17 -38.3956 131.746 106.171 180.513 -86.3008 115.992 263.925 PRESSAVG: 3403400 1.04248 40.1492 -28.1539 40.1492 45.9262 18.385 -28.1539 18.385 9.12088 GPRESSAVG: 3403400 1.08092 39.6434 -28.2192 38.4159 45.5895 17.6466 -28.327 19.2872 9.3328 TIMING: 3403400 CPU: 10633.2, 0.00312607/step Wall: 10633.2, 0.00312607/step, 1.38641 hours remaining, 233.785156 MB of memory in use. ENERGY: 3403400 4014.9419 20533.9054 14431.0310 245.2174 -203801.9487 3138.5833 0.0000 0.0000 52262.6436 -109175.6260 300.3541 -161438.2696 -108824.4493 299.8586 172.6300 198.3519 761014.9633 18.6965 18.6678 PRESSURE: 3403600 -507.489 173.114 -121.288 173.113 42.9926 42.7198 -121.287 42.7198 -143.922 GPRESSURE: 3403600 -484.311 147.113 -24.2328 162.927 134.34 -122.939 -198.111 172.033 -175.503 PRESSAVG: 3403600 -18.2781 -9.98524 0.80087 -9.98532 42.6598 3.74394 0.800807 3.74388 4.28002 GPRESSAVG: 3403600 -18.463 -10.197 2.33909 -9.55635 43.6483 3.87088 -0.648345 6.36797 3.87719 TIMING: 3403600 CPU: 10633.8, 0.00311213/step Wall: 10633.8, 0.00311213/step, 1.38006 hours remaining, 233.785156 MB of memory in use. ENERGY: 3403600 4043.7793 20527.1235 14418.9557 239.7877 -203686.3796 2859.4215 0.0000 0.0000 52364.9547 -109232.3573 300.9421 -161597.3120 -108871.0874 300.1376 -202.8059 -175.1578 761310.5082 9.5539 9.6875 PRESSURE: 3403800 42.9592 95.2695 109.748 95.2687 155.706 -115.05 109.748 -115.05 169.009 GPRESSURE: 3403800 165.965 -12.1071 135.125 184.765 184.328 -196.737 47.7551 -312.096 99.6914 PRESSAVG: 3403800 23.8279 91.1657 6.19591 91.1657 34.508 -0.873526 6.19595 -0.873546 -0.342263 GPRESSAVG: 3403800 23.1172 93.7294 4.7248 90.7821 35.3292 0.244492 8.38497 -3.00164 -0.167181 TIMING: 3403800 CPU: 10634.4, 0.00310762/step Wall: 10634.4, 0.00310762/step, 1.37788 hours remaining, 233.785156 MB of memory in use. ENERGY: 3403800 3919.3659 20477.3075 14548.5029 258.4405 -203123.8265 2534.5332 0.0000 0.0000 52239.9196 -109145.7569 300.2235 -161385.6765 -108774.9469 300.1747 122.5582 149.9948 761530.2779 19.3312 19.4264 PRESSURE: 3404000 -317.907 -244.888 125.02 -244.888 265.162 14.3372 125.019 14.3364 -82.457 GPRESSURE: 3404000 -263.526 -213.3 52.9743 -215.421 302.874 9.97117 -93.6844 -123.375 -106.596 PRESSAVG: 3404000 -34.197 26.0623 33.5701 26.0623 21.485 -89.6836 33.5701 -89.6836 15.9192 GPRESSAVG: 3404000 -33.5783 23.7677 33.7619 26.464 19.6956 -91.7277 32.0605 -88.8227 16.9355 TIMING: 3404000 CPU: 10635, 0.00310705/step Wall: 10635, 0.00310705/step, 1.37746 hours remaining, 233.785156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3404000 3938.1196 20676.2616 14449.8097 253.5945 -203079.7192 2556.6659 0.0000 0.0000 52242.4496 -108962.8183 300.2381 -161205.2679 -108604.3463 300.1783 -45.0673 -22.4161 761579.5327 1.0690 1.0176 PRESSURE: 3404200 -73.0097 60.1598 -93.0903 60.16 -61.2076 -24.7102 -93.0901 -24.7108 -136.287 GPRESSURE: 3404200 5.70982 39.1245 -122.322 43.8553 -53.0243 -27.4386 29.3717 -12.0412 -161.715 PRESSAVG: 3404200 -30.0885 -76.236 23.2483 -76.236 -41.1071 -48.236 23.2483 -48.236 8.98001 GPRESSAVG: 3404200 -30.5748 -74.6118 22.0751 -77.2663 -41.4334 -46.3277 24.0914 -50.5565 9.40661 TIMING: 3404200 CPU: 10635.6, 0.00311204/step Wall: 10635.6, 0.00311204/step, 1.3795 hours remaining, 233.785156 MB of memory in use. ENERGY: 3404200 4072.5694 20566.2254 14492.8456 259.4301 -203685.1462 2892.3474 0.0000 0.0000 52420.6852 -108981.0431 301.2624 -161401.7283 -108605.7364 300.6267 -90.1682 -69.6765 763392.5220 -20.7386 -20.8672 LDB: ============= START OF LOAD BALANCING ============== 10648.1 LDB: ============== END OF LOAD BALANCING =============== 10648.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10648.1 LDB: ============= START OF LOAD BALANCING ============== 10648.4 LDB: Largest compute 7031 load 0.031681 is 16.2% of average load 0.195170 LDB: Average compute 0.004397 is 2.3% of average load 0.195170 LDB: TIME 10648.4 LOAD: AVG 0.19517 MAX 0.210973 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.734 MB LDB: TIME 10648.4 LOAD: AVG 0.19517 MAX 0.210973 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.738 MB LDB: TIME 10648.4 LOAD: AVG 0.19517 MAX 0.210973 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.738 MB LDB: ============== END OF LOAD BALANCING =============== 10648.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10648.4 PRESSURE: 3404400 -289.613 -58.2323 102.866 -58.2313 87.1601 -182.746 102.866 -182.747 -41.0199 GPRESSURE: 3404400 -224.924 -61.87 157.555 -110.817 135.657 -188.106 94.5968 -58.211 -58.6051 PRESSAVG: 3404400 35.3397 2.55692 -9.20892 2.55693 -6.52162 -8.12403 -9.20894 -8.1241 -17.2236 GPRESSAVG: 3404400 34.5172 0.102107 -7.10562 4.13081 -5.94179 -8.99297 -9.54369 -7.52315 -16.5037 TIMING: 3404400 CPU: 10636.3, 0.0031992/step Wall: 10636.3, 0.0031992/step, 1.41796 hours remaining, 234.187500 MB of memory in use. ENERGY: 3404400 4022.8411 20735.5487 14416.5544 255.1844 -203310.2540 2734.4735 0.0000 0.0000 52149.9573 -108995.6946 299.7065 -161145.6519 -108633.1122 300.4851 -81.1576 -49.2908 763380.3644 3.8648 4.0239 PRESSURE: 3404600 -125.572 30.8234 36.6288 30.823 -342.405 123.676 36.6289 123.676 -221.57 GPRESSURE: 3404600 -34.5639 14.7732 19.5091 59.3988 -366.822 165.404 73.7673 97.3425 -191.847 PRESSAVG: 3404600 2.67507 -22.3264 -7.08033 -22.3264 -43.5723 -10.3235 -7.08031 -10.3234 20.9333 GPRESSAVG: 3404600 3.97058 -20.1597 -7.50414 -24.9574 -43.3735 -10.1979 -9.91961 -10.1397 19.6642 TIMING: 3404600 CPU: 10636.9, 0.00312491/step Wall: 10636.9, 0.00312491/step, 1.38486 hours remaining, 234.187500 MB of memory in use. ENERGY: 3404600 4067.0157 20672.4027 14351.0267 248.6787 -202915.4835 2292.3219 0.0000 0.0000 52085.6063 -109198.4315 299.3367 -161284.0378 -108832.9843 300.3778 -229.8493 -197.7444 763700.2797 -6.6546 -6.5796 PRESSURE: 3404800 -330.888 95.458 -73.7094 95.4587 -45.6832 -148.22 -73.7101 -148.221 -16.965 GPRESSURE: 3404800 -210.682 103.703 -186.509 32.0125 0.5942 -238.586 -127.87 -115.951 -89.5478 PRESSAVG: 3404800 13.0761 53.1996 -19.6486 53.1995 -24.4961 -15.1089 -19.6486 -15.1089 -13.8521 GPRESSAVG: 3404800 13.5147 53.3929 -19.0509 53.4119 -25.4044 -14.1218 -17.0671 -14.7089 -13.3276 TIMING: 3404800 CPU: 10637.5, 0.00313912/step Wall: 10637.5, 0.00313912/step, 1.39098 hours remaining, 234.187500 MB of memory in use. ENERGY: 3404800 4025.1140 20529.3404 14474.3345 233.1644 -203195.7479 2493.8321 0.0000 0.0000 52127.8650 -109312.0975 299.5796 -161439.9625 -108947.2252 299.6463 -131.1788 -99.8785 761822.9298 -8.4240 -8.4058 PRESSURE: 3405000 -23.3489 -181.949 36.9526 -181.948 34.9749 -134.277 36.9529 -134.278 -206.394 GPRESSURE: 3405000 59.9375 25.4412 55.3094 -189.845 20.8552 -184.416 -52.116 -39.9324 -188.354 PRESSAVG: 3405000 -10.9671 7.52885 26.3209 7.52889 0.415017 -14.4606 26.321 -14.4606 16.3497 GPRESSAVG: 3405000 -10.5849 6.59833 24.4973 8.03773 0.91715 -14.834 25.145 -14.1865 15.9964 TIMING: 3405000 CPU: 10638.2, 0.00314569/step Wall: 10638.2, 0.00314569/step, 1.39371 hours remaining, 234.445312 MB of memory in use. ENERGY: 3405000 4043.9131 20554.8930 14418.9906 241.5255 -203247.5376 2526.4490 0.0000 0.0000 52153.6081 -109308.1582 299.7275 -161461.7663 -108949.6897 299.5880 -64.9227 -35.8536 762672.4519 1.9325 2.1095 PRESSURE: 3405200 -262.518 136.649 -18.7032 136.65 -39.0019 -69.996 -18.7031 -69.9964 224.418 GPRESSURE: 3405200 -288.859 69.7126 55.7398 0.0602515 39.8098 -116.94 -9.04868 -12.5248 274.24 PRESSAVG: 3405200 -12.6984 -19.6184 14.4304 -19.6184 2.47936 24.0166 14.4304 24.0166 -13.2186 GPRESSAVG: 3405200 -13.4939 -19.7662 15.9456 -19.839 3.5921 23.0998 13.7704 23.994 -13.6373 TIMING: 3405200 CPU: 10638.8, 0.00316334/step Wall: 10638.8, 0.00316334/step, 1.40136 hours remaining, 234.445312 MB of memory in use. ENERGY: 3405200 4011.0622 20585.8230 14422.4287 256.7398 -203268.2337 2544.6353 0.0000 0.0000 52221.9694 -109225.5754 300.1204 -161447.5447 -108861.6325 299.5663 -25.7008 8.3968 762568.1592 -7.8126 -7.8464 PRESSURE: 3405400 -158.423 29.7363 -14.2867 29.7369 -4.88811 -14.4705 -14.2875 -14.4715 -214.773 GPRESSURE: 3405400 -123.141 -0.153808 -11.5533 -28.207 -35.4813 -98.553 -56.2185 19.0752 -150.466 PRESSAVG: 3405400 -44.5936 -3.19493 -18.0577 -3.19498 11.2306 -30.5115 -18.0577 -30.5114 5.03284 GPRESSAVG: 3405400 -42.9258 -4.27509 -20.5107 -2.80743 9.56216 -29.7097 -16.2432 -29.9438 5.09016 TIMING: 3405400 CPU: 10639.4, 0.00313462/step Wall: 10639.4, 0.00313462/step, 1.38846 hours remaining, 234.445312 MB of memory in use. ENERGY: 3405400 4030.6959 20698.9818 14406.8395 262.5627 -203333.3796 2528.4706 0.0000 0.0000 52196.4259 -109209.4031 299.9736 -161405.8290 -108840.8383 300.2174 -126.0281 -103.0292 762439.9728 -9.4434 -9.4245 PRESSURE: 3405600 -10.1512 -196.692 -12.9313 -196.692 64.9696 2.75039 -12.9315 2.751 -101.545 GPRESSURE: 3405600 -58.9531 -107.651 27.695 -170.563 154.893 -74.4334 -130.541 -30.0446 -42.1044 PRESSAVG: 3405600 -22.0925 36.9327 8.78391 36.9327 16.5402 -4.72569 8.78391 -4.72564 33.6658 GPRESSAVG: 3405600 -22.271 36.9184 11.1257 37.3895 17.0542 -4.54232 8.41452 -6.91545 33.9711 TIMING: 3405600 CPU: 10640, 0.00313461/step Wall: 10640, 0.00313461/step, 1.38828 hours remaining, 234.445312 MB of memory in use. ENERGY: 3405600 4000.8676 20623.3150 14392.2751 239.9157 -203348.7305 2684.9152 0.0000 0.0000 52075.7036 -109331.7383 299.2798 -161407.4418 -108971.2156 300.1122 -15.5755 17.9451 762213.0837 9.3712 9.5848 PRESSURE: 3405800 187.518 18.5916 -34.675 18.5915 -223.246 -203.711 -34.6748 -203.712 29.6066 GPRESSURE: 3405800 176.652 90.8027 -87.704 -58.1881 -114.15 -140.971 0.408124 -180.347 38.5194 PRESSAVG: 3405800 56.1941 -33.6619 -9.10291 -33.6619 -64.2833 -2.83243 -9.10289 -2.83245 25.3992 GPRESSAVG: 3405800 54.8401 -32.3479 -10.976 -34.912 -63.3881 -3.65473 -9.91321 -2.33382 25.9043 TIMING: 3405800 CPU: 10640.7, 0.00313919/step Wall: 10640.7, 0.00313919/step, 1.39014 hours remaining, 234.445312 MB of memory in use. ENERGY: 3405800 3992.7402 20541.6046 14358.0236 247.8214 -203355.8275 2624.2139 0.0000 0.0000 51979.4436 -109611.9803 298.7266 -161591.4238 -109237.7308 299.1067 -2.0406 33.6738 762386.7791 5.7700 5.7854 PRESSURE: 3406000 -130.662 108.102 -100.958 108.102 -4.44656 75.197 -100.959 75.1961 -396.832 GPRESSURE: 3406000 -124.049 84.0844 -84.0763 84.6762 91.4866 106.136 -70.0618 80.1904 -398.027 PRESSAVG: 3406000 69.0062 21.7636 -17.3557 21.7637 -50.4029 -25.5443 -17.3556 -25.5443 -4.64264 GPRESSAVG: 3406000 69.1109 23.3494 -16.8294 22.2927 -49.7997 -26.5898 -16.153 -23.8331 -4.88364 TIMING: 3406000 CPU: 10641.3, 0.00312498/step Wall: 10641.3, 0.00312498/step, 1.38367 hours remaining, 234.445312 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: 3406000 4032.9562 20439.7328 14425.5607 247.6274 -203777.6500 2780.4607 0.0000 0.0000 52319.7687 -109531.5436 300.6824 -161851.3123 -109180.1463 299.0077 -177.3135 -143.5298 760148.2577 4.6536 4.8092 PRESSURE: 3406200 92.6892 -174.732 90.6326 -174.733 271.821 -78.6471 90.6328 -78.6472 12.1328 GPRESSURE: 3406200 75.9082 -77.3324 70.7921 -183.273 352.756 -25.2605 -35.9861 -121.427 27.493 PRESSAVG: 3406200 -20.4709 6.09083 8.69652 6.09081 19.9256 54.9369 8.69654 54.9369 -16.4504 GPRESSAVG: 3406200 -20.2029 4.23165 8.42819 5.31354 18.6506 56.9903 7.32709 52.1912 -16.2119 TIMING: 3406200 CPU: 10641.9, 0.00313306/step Wall: 10641.9, 0.00313306/step, 1.38707 hours remaining, 234.445312 MB of memory in use. ENERGY: 3406200 3929.3793 20437.6347 14430.4566 233.2813 -203440.9197 2687.8877 0.0000 0.0000 51969.9826 -109752.2977 298.6722 -161722.2803 -109389.7101 298.9461 125.5477 152.0525 760207.7554 -5.6652 -5.9214 PRESSURE: 3406400 235.764 -173.976 -169.639 -173.976 -337.931 -46.35 -169.64 -46.3492 -271.995 GPRESSURE: 3406400 227.943 -186.012 -122.237 -179.814 -323.888 -34.0208 -94.6577 -15.0448 -199.253 PRESSAVG: 3406400 3.99087 -37.7011 15.3585 -37.7011 40.0511 -37.9297 15.3585 -37.9298 -4.0667 GPRESSAVG: 3406400 4.03911 -37.7451 16.7111 -36.7424 39.7165 -37.3001 14.4527 -37.0313 -3.93849 TIMING: 3406400 CPU: 10642.6, 0.0031195/step Wall: 10642.6, 0.0031195/step, 1.3809 hours remaining, 234.445312 MB of memory in use. ENERGY: 3406400 3992.7793 20495.5475 14382.0864 246.2007 -203264.7503 2496.7322 0.0000 0.0000 51945.8499 -109705.5544 298.5335 -161651.4043 -109337.0775 298.6619 -124.7206 -98.3996 761216.5181 13.3251 13.2724 PRESSURE: 3406600 2.58878 -100.487 196.08 -100.487 82.7762 -125.086 196.08 -125.087 -274.892 GPRESSURE: 3406600 -20.2478 13.8975 110.161 59.677 111.279 -81.2884 151.457 -122.989 -187.373 PRESSAVG: 3406600 -7.11996 -1.55157 -48.7543 -1.55156 5.43076 -12.8701 -48.7543 -12.8702 17.5971 GPRESSAVG: 3406600 -7.34851 -1.22425 -48.6274 -0.520351 5.17551 -14.2395 -48.2162 -11.9719 17.6367 TIMING: 3406600 CPU: 10643.2, 0.00310538/step Wall: 10643.2, 0.00310538/step, 1.37448 hours remaining, 234.445312 MB of memory in use. ENERGY: 3406600 3945.6150 20472.5698 14383.9217 233.1279 -203700.6896 2773.5860 0.0000 0.0000 52106.9765 -109784.8926 299.4595 -161891.8691 -109422.0617 298.3413 -63.1757 -32.1140 761618.5315 5.3026 5.1546 PRESSURE: 3406800 -150.938 -156.185 -271.923 -156.186 -212.397 221.15 -271.923 221.151 -311.327 GPRESSURE: 3406800 -166.766 -201.053 -242.082 -186.544 -180.477 166.902 -115.949 244.932 -232.926 PRESSAVG: 3406800 -21.9476 -45.0718 39.3754 -45.0718 4.42357 30.1728 39.3753 30.1728 -7.02915 GPRESSAVG: 3406800 -21.6686 -44.3512 38.7902 -46.9254 4.30391 29.2471 38.5192 29.7194 -7.15714 TIMING: 3406800 CPU: 10643.8, 0.00312676/step Wall: 10643.8, 0.00312676/step, 1.38376 hours remaining, 234.445312 MB of memory in use. ENERGY: 3406800 3979.1204 20316.5022 14389.2919 252.9578 -203182.7649 2445.3033 0.0000 0.0000 51994.3451 -109805.2441 298.8122 -161799.5892 -109444.8762 298.2233 -224.8873 -193.3893 764087.1102 -8.1844 -8.1739 PRESSURE: 3407000 -77.1563 79.652 102.823 79.6524 -122.525 -176.166 102.823 -176.166 -72.8565 GPRESSURE: 3407000 41.4336 68.1507 100.337 53.7065 -112.567 -80.8921 141.318 -84.5657 -128.42 PRESSAVG: 3407000 -12.7707 42.7662 -8.79703 42.7662 -3.02001 -9.36782 -8.79704 -9.36778 3.68686 GPRESSAVG: 3407000 -13.2827 39.2727 -8.94755 43.3521 -2.91885 -7.60602 -4.35993 -8.85297 4.13739 TIMING: 3407000 CPU: 10644.4, 0.00313199/step Wall: 10644.4, 0.00313199/step, 1.3859 hours remaining, 234.445312 MB of memory in use. ENERGY: 3407000 3952.3920 20359.7363 14449.5122 262.1510 -202912.1996 2284.4081 0.0000 0.0000 51764.0640 -109839.9358 297.4888 -161603.9998 -109474.4009 298.1988 -90.8458 -66.5179 762451.2397 -4.0346 -4.0214 PRESSURE: 3407200 -414.809 -130.264 -148.015 -130.264 -223.628 86.4679 -148.015 86.4682 -16.4863 GPRESSURE: 3407200 -374.94 -87.1563 -209.3 -53.2504 -141.521 105.612 -190.293 19.8631 -73.7949 PRESSAVG: 3407200 -40.6279 1.43088 -5.55906 1.43088 -29.2963 -6.63862 -5.55914 -6.6386 26.348 GPRESSAVG: 3407200 -41.1944 3.9112 -4.45336 0.365077 -28.5032 -7.51275 -8.34978 -8.44629 25.9827 TIMING: 3407200 CPU: 10645.1, 0.00313782/step Wall: 10645.1, 0.00313782/step, 1.38831 hours remaining, 234.445312 MB of memory in use. ENERGY: 3407200 3946.9369 20552.8945 14397.8349 239.6477 -203059.5476 2219.5033 0.0000 0.0000 51859.9995 -109842.7308 298.0401 -161702.7303 -109484.2183 298.1603 -218.3077 -196.7519 762188.8756 -14.5254 -14.5716 PRESSURE: 3407400 76.6931 319.18 10.3698 319.179 -33.0845 -206.952 10.3692 -206.951 -269.894 GPRESSURE: 3407400 118.616 207.117 -51.7861 357.114 86.6974 -235.028 -7.73543 -131.804 -338.211 PRESSAVG: 3407400 2.28288 8.63124 -9.42344 8.63129 7.03162 49.1409 -9.42346 49.1409 11.8475 GPRESSAVG: 3407400 2.92638 8.70166 -10.9258 8.59791 6.91081 48.5015 -8.61375 53.1038 11.6952 TIMING: 3407400 CPU: 10645.7, 0.00313381/step Wall: 10645.7, 0.00313381/step, 1.38636 hours remaining, 234.445312 MB of memory in use. ENERGY: 3407400 3941.0879 20459.3118 14308.1526 258.5516 -203380.0667 2419.5831 0.0000 0.0000 52010.7393 -109982.6403 298.9064 -161993.3796 -109612.0543 297.9312 -75.4284 -44.2990 761135.3741 7.0540 7.1774 PRESSURE: 3407600 -227.462 152.677 44.4969 152.676 227.852 -51.0752 44.4972 -51.0753 127.161 GPRESSURE: 3407600 -282.96 113.945 59.7769 145.226 354.657 -35.5715 67.5924 -102.99 149.935 PRESSAVG: 3407600 -44.0205 27.8214 9.07957 27.8213 7.52268 19.8728 9.07959 19.8728 -0.26438 GPRESSAVG: 3407600 -44.3255 28.1588 9.51815 30.0786 7.16825 19.4944 8.08831 17.7593 -0.0975216 TIMING: 3407600 CPU: 10646.3, 0.00314838/step Wall: 10646.3, 0.00314838/step, 1.39264 hours remaining, 234.445312 MB of memory in use. ENERGY: 3407600 4096.3164 20198.1666 14255.8187 244.3879 -203362.2589 2632.4357 0.0000 0.0000 51991.6311 -109943.5025 298.7966 -161935.1336 -109567.1147 298.4285 42.5169 73.8773 761012.6234 -12.2541 -12.4182 PRESSURE: 3407800 -574.891 -149.086 -196.513 -149.087 -47.9412 -89.854 -196.513 -89.8545 -290.426 GPRESSURE: 3407800 -550.532 -107.462 -243.986 -36.0365 -39.2248 -46.6488 -133.766 55.4459 -218.164 PRESSAVG: 3407800 -16.0293 27.3484 -11.0446 27.3484 1.26641 -14.5635 -11.0446 -14.5636 -33.3628 GPRESSAVG: 3407800 -16.3754 27.2876 -10.7335 27.3612 1.2385 -12.3281 -11.0065 -15.9851 -32.8614 TIMING: 3407800 CPU: 10646.9, 0.00313105/step Wall: 10646.9, 0.00313105/step, 1.3848 hours remaining, 234.445312 MB of memory in use. ENERGY: 3407800 3977.5406 20551.3588 14335.7561 248.0462 -202602.3759 2113.9134 0.0000 0.0000 51852.7866 -109522.9741 297.9987 -161375.7607 -109169.8144 298.6510 -304.4194 -269.3071 763965.9714 -16.0419 -15.9994 PRESSURE: 3408000 -284.262 111.866 -94.8004 111.866 -134.935 167.368 -94.8009 167.369 -246.288 GPRESSURE: 3408000 -173.787 19.6603 -17.8442 102.759 -194.643 97.0395 -183.422 96.5373 -218.849 PRESSAVG: 3408000 5.20232 -54.2112 -46.267 -54.2112 1.46228 -16.5276 -46.2671 -16.5277 -1.54963 GPRESSAVG: 3408000 4.98415 -53.3301 -45.9142 -56.1583 2.06866 -18.863 -46.3996 -17.2612 -1.58312 TIMING: 3408000 CPU: 10647.6, 0.00312453/step Wall: 10647.6, 0.00312453/step, 1.38174 hours remaining, 234.445312 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: 3408000 3968.8382 20335.8717 14358.2207 275.8918 -203214.5229 2563.5112 0.0000 0.0000 52100.5151 -109611.6741 299.4224 -161712.1893 -109249.8220 299.3871 -221.8282 -195.7598 760950.1702 1.7050 1.8232 PRESSURE: 3408200 69.1298 -102.222 -47.3787 -102.223 143.843 -72.236 -47.3781 -72.2362 -64.8713 GPRESSURE: 3408200 98.6975 -112.392 -17.7284 -62.4485 195.365 -70.6787 -9.24381 -18.5146 -62.0349 PRESSAVG: 3408200 33.2161 -26.9013 4.99511 -26.9012 -15.6011 1.63573 4.99507 1.63569 16.3458 GPRESSAVG: 3408200 34.7325 -26.2176 3.16201 -28.0068 -16.061 2.82109 5.38048 2.50174 15.3213 TIMING: 3408200 CPU: 10648.2, 0.00312188/step Wall: 10648.2, 0.00312188/step, 1.38039 hours remaining, 234.445312 MB of memory in use. ENERGY: 3408200 3978.5236 20406.7668 14408.0590 242.4821 -203412.2370 2780.3102 0.0000 0.0000 51865.3163 -109730.7790 298.0707 -161596.0953 -109375.3599 298.3731 49.3673 77.3426 762094.0484 11.3203 11.3309 LDB: ============= START OF LOAD BALANCING ============== 10660.7 LDB: ============== END OF LOAD BALANCING =============== 10660.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10660.7 LDB: ============= START OF LOAD BALANCING ============== 10661 LDB: Largest compute 7031 load 0.030815 is 15.8% of average load 0.195149 LDB: Average compute 0.004382 is 2.2% of average load 0.195149 LDB: TIME 10661 LOAD: AVG 0.195149 MAX 0.214524 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.961 MB LDB: TIME 10661 LOAD: AVG 0.195149 MAX 0.214524 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.219 MB LDB: TIME 10661 LOAD: AVG 0.195149 MAX 0.214524 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.219 MB LDB: ============== END OF LOAD BALANCING =============== 10661 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10661 PRESSURE: 3408400 -192.544 -93.4979 24.9136 -93.4972 -309.496 25.7099 24.9144 25.7095 -111.754 GPRESSURE: 3408400 -120.996 -65.1976 67.5421 -64.9928 -237.933 21.4538 101.077 147.15 -152.805 PRESSAVG: 3408400 -36.6598 10.7414 11.5706 10.7413 -3.84767 -26.8324 11.5707 -26.8323 -5.0516 GPRESSAVG: 3408400 -37.1686 7.69389 13.9602 13.5432 -3.5797 -27.1463 11.9066 -26.5944 -4.1515 TIMING: 3408400 CPU: 10648.8, 0.00319462/step Wall: 10648.8, 0.00319462/step, 1.41238 hours remaining, 234.957031 MB of memory in use. ENERGY: 3408400 4007.5391 20261.5230 14351.7252 260.5618 -202622.3751 2259.8748 0.0000 0.0000 51810.5969 -109670.5542 297.7562 -161481.1511 -109313.8263 298.0495 -204.5978 -170.5779 762585.1014 -15.1864 -14.9666 PRESSURE: 3408600 42.3318 -343.779 209.197 -343.779 -305.331 -122.99 209.197 -122.988 -0.826222 GPRESSURE: 3408600 86.9269 -340.274 203.033 -240.447 -284.034 -147.347 142.1 -32.4663 17.9622 PRESSAVG: 3408600 27.8206 -38.3308 -6.49774 -38.3309 -0.716847 14.6889 -6.49775 14.6889 -9.74254 GPRESSAVG: 3408600 27.8547 -36.4836 -8.91202 -40.1257 -1.13747 15.5785 -5.89156 13.806 -9.52132 TIMING: 3408600 CPU: 10649.4, 0.00312205/step Wall: 10649.4, 0.00312205/step, 1.38012 hours remaining, 235.160156 MB of memory in use. ENERGY: 3408600 4005.2449 20348.5295 14447.9919 243.0375 -203145.2332 2489.9068 0.0000 0.0000 51810.2474 -109800.2752 297.7542 -161610.5226 -109437.2164 297.5517 -87.9418 -59.7151 762850.1620 5.7871 5.7320 PRESSURE: 3408800 -249.733 271.409 -14.4275 271.408 -204.17 30.0287 -14.4281 30.0283 -395.182 GPRESSURE: 3408800 -167.236 227.303 92.7713 145.554 -204.307 30.2354 104.961 -2.31571 -395.103 PRESSAVG: 3408800 4.40462 -28.0192 -43.8744 -28.0192 -18.8873 -8.56941 -43.8744 -8.56939 9.08092 GPRESSAVG: 3408800 6.14975 -26.7692 -42.4569 -28.9846 -18.2482 -10.5414 -44.4012 -7.07385 6.9555 TIMING: 3408800 CPU: 10650.1, 0.00312619/step Wall: 10650.1, 0.00312619/step, 1.38177 hours remaining, 235.160156 MB of memory in use. ENERGY: 3408800 3989.7706 20384.4635 14409.9551 250.7261 -203102.3525 2594.8055 0.0000 0.0000 51770.3463 -109702.2855 297.5249 -161472.6317 -109346.8200 297.8694 -283.0282 -255.5489 762798.9019 -1.8006 -1.7143 PRESSURE: 3409000 160.924 -244.8 -72.7131 -244.8 37.407 372.214 -72.7135 372.215 521.926 GPRESSURE: 3409000 242.949 -225.475 -126.677 -254.501 29.9089 355.392 -104.111 363.811 534.523 PRESSAVG: 3409000 68.8575 -65.0998 -9.41309 -65.0998 -52.4644 -8.26235 -9.41312 -8.26228 13.9534 GPRESSAVG: 3409000 68.6406 -67.8742 -8.37761 -63.1865 -53.7315 -7.72159 -10.8399 -10.9159 15.4893 TIMING: 3409000 CPU: 10650.7, 0.00311836/step Wall: 10650.7, 0.00311836/step, 1.37814 hours remaining, 235.160156 MB of memory in use. ENERGY: 3409000 3911.2856 20402.9427 14413.3690 260.6132 -203486.8379 2763.4893 0.0000 0.0000 52024.8378 -109710.3003 298.9875 -161735.1381 -109353.8635 298.2159 240.0856 269.1270 761623.3834 10.1155 10.1328 PRESSURE: 3409200 -262.459 -131.665 38.7954 -131.665 -448.524 72.4771 38.7949 72.4764 -410.171 GPRESSURE: 3409200 -189.515 -88.7532 83.571 -2.31478 -427.828 -13.5733 33.8493 -5.5779 -408.255 PRESSAVG: 3409200 35.724 -17.927 20.9595 -17.927 -74.9961 29.1467 20.9595 29.1467 16.401 GPRESSAVG: 3409200 35.353 -15.2295 20.4067 -19.0989 -73.6275 28.3897 20.8352 30.8603 15.6663 TIMING: 3409200 CPU: 10651.3, 0.00313669/step Wall: 10651.3, 0.00313669/step, 1.38607 hours remaining, 235.160156 MB of memory in use. ENERGY: 3409200 3994.2984 20412.3601 14340.9961 244.1047 -203089.1029 2387.1445 0.0000 0.0000 52041.7980 -109668.4010 299.0849 -161710.1990 -109302.6210 298.5924 -373.7182 -341.8656 763133.9356 -7.6237 -7.5361 PRESSURE: 3409400 -179.559 -7.2219 146.596 -7.22219 128.372 52.9642 146.595 52.9644 -398.367 GPRESSURE: 3409400 -79.7764 -124.41 90.6647 111.824 140.51 150.806 38.6275 -24.018 -423.388 PRESSAVG: 3409400 -15.7517 -51.842 42.429 -51.8419 -14.8554 -18.8018 42.429 -18.8018 1.89451 GPRESSAVG: 3409400 -15.714 -55.0822 40.8264 -49.6706 -15.3651 -18.3507 41.9359 -19.9383 2.79815 TIMING: 3409400 CPU: 10651.9, 0.00312233/step Wall: 10651.9, 0.00312233/step, 1.37955 hours remaining, 235.160156 MB of memory in use. ENERGY: 3409400 3938.4200 20493.0230 14477.1672 256.7427 -203399.3159 2759.5799 0.0000 0.0000 51698.5598 -109775.8233 297.1123 -161474.3831 -109422.3684 298.7300 -149.8513 -120.8848 761345.9187 -9.5708 -9.4270 PRESSURE: 3409600 -164.098 184.551 157.61 184.551 -287.439 0.263607 157.611 0.262758 138.032 GPRESSURE: 3409600 -103.933 107.406 133.224 95.4355 -240.195 62.9599 127.201 -4.65087 127.644 PRESSAVG: 3409600 -19.0684 0.796693 55.6829 0.796643 57.095 -40.0993 55.683 -40.0993 20.3114 GPRESSAVG: 3409600 -19.0687 1.03491 55.465 0.354393 57.2479 -39.6143 56.3869 -38.8511 20.2743 TIMING: 3409600 CPU: 10652.6, 0.00313193/step Wall: 10652.6, 0.00313193/step, 1.38362 hours remaining, 235.160156 MB of memory in use. ENERGY: 3409600 3998.7528 20373.9718 14443.5672 236.3246 -203047.3586 2469.1484 0.0000 0.0000 52047.9596 -109477.6343 299.1203 -161525.5939 -109117.8086 298.3630 -104.5019 -72.1611 761359.0037 19.4460 19.4845 PRESSURE: 3409800 230.502 -256.456 142.081 -256.455 -163.034 70.8077 142.079 70.8081 150.206 GPRESSURE: 3409800 239.326 -185.514 263.1 -202.489 -1.74376 47.5088 103.237 86.6825 83.2463 PRESSAVG: 3409800 -52.3938 -27.2059 8.82098 -27.2059 35.7327 81.2182 8.82095 81.2183 -3.21151 GPRESSAVG: 3409800 -52.693 -25.3627 9.67849 -28.1407 36.2913 80.8202 9.33319 81.3067 -3.66679 TIMING: 3409800 CPU: 10653.2, 0.00312677/step Wall: 10653.2, 0.00312677/step, 1.38116 hours remaining, 235.160156 MB of memory in use. ENERGY: 3409800 3936.0933 20212.5614 14444.8019 247.7813 -203432.0843 2799.4315 0.0000 0.0000 52109.8845 -109681.5305 299.4762 -161791.4149 -109322.0019 298.4310 72.5581 106.9430 760831.8196 -6.6242 -6.6895 PRESSURE: 3410000 -17.4089 -30.9797 57.9834 -30.9797 348.847 -94.696 57.9835 -94.6965 262.04 GPRESSURE: 3410000 54.948 -6.53229 -25.7822 -63.1024 331.238 -33.5778 57.6037 -85.6224 276.211 PRESSAVG: 3410000 2.24764 -23.097 -40.0474 -23.097 69.097 -10.5842 -40.0473 -10.5842 9.11718 GPRESSAVG: 3410000 2.57392 -24.6777 -38.6954 -22.3386 68.4911 -10.0693 -40.8137 -10.6131 9.4774 TIMING: 3410000 CPU: 10653.8, 0.00311933/step Wall: 10653.8, 0.00311933/step, 1.3777 hours remaining, 235.160156 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: 3410000 3986.9445 20342.0507 14441.3593 258.8405 -203382.8919 2496.2903 0.0000 0.0000 51983.2974 -109874.1092 298.7487 -161857.4066 -109528.2520 298.2986 197.8260 220.7988 760667.2532 26.8206 26.8475 PRESSURE: 3410200 69.061 110.168 -371.737 110.168 -68.8488 275.574 -371.738 275.572 -41.3452 GPRESSURE: 3410200 96.425 36.2107 -355.73 136.856 -92.047 196.955 -275.433 270.649 31.0501 PRESSAVG: 3410200 -14.5885 -19.5037 -1.90038 -19.5037 14.7198 46.4882 -1.90025 46.4882 -3.94745 GPRESSAVG: 3410200 -14.4053 -18.7806 -3.05075 -20.7565 13.6824 46.4768 -1.10755 47.2052 -3.31673 TIMING: 3410200 CPU: 10654.4, 0.00313662/step Wall: 10654.4, 0.00313662/step, 1.38516 hours remaining, 235.417969 MB of memory in use. ENERGY: 3410200 3985.1954 20420.7427 14442.1177 248.5840 -202635.4098 2281.0110 0.0000 0.0000 51746.6046 -109511.1545 297.3884 -161257.7591 -109167.0998 299.1118 -13.7110 11.8093 760835.7086 -1.2720 -1.3465 PRESSURE: 3410400 -53.9791 -8.16698 170.917 -8.16838 -145.766 266.451 170.918 266.45 -501.434 GPRESSURE: 3410400 -43.8595 -41.2788 131.291 -26.8664 -115.833 278.801 126.075 200.269 -446.437 PRESSAVG: 3410400 -29.6344 -53.9741 -2.2722 -53.9742 2.28656 -7.8098 -2.27215 -7.80978 0.763869 GPRESSAVG: 3410400 -31.2005 -53.4839 -1.67836 -54.6591 3.36897 -8.23199 -3.43797 -8.5269 1.42223 TIMING: 3410400 CPU: 10655.1, 0.00312639/step Wall: 10655.1, 0.00312639/step, 1.38048 hours remaining, 235.417969 MB of memory in use. ENERGY: 3410400 4006.6492 20393.5033 14415.1807 249.5960 -203307.8935 2532.8343 0.0000 0.0000 52264.6715 -109445.4584 300.3658 -161710.1299 -109082.9882 299.0637 -233.7265 -202.0430 761655.5380 -8.8613 -8.8031 PRESSURE: 3410600 -436.524 -19.5153 -139.412 -19.5156 -207.371 33.191 -139.411 33.1901 -91.5751 GPRESSURE: 3410600 -347.646 -110.091 -204.006 -108.253 -205.63 60.5752 -145.657 52.3535 -88.2779 PRESSAVG: 3410600 -15.6195 3.48067 17.7479 3.48063 19.799 20.2835 17.7479 20.2835 8.4614 GPRESSAVG: 3410600 -13.9244 2.30221 17.5986 5.02012 19.0094 20.0301 18.7109 21.2975 7.23139 TIMING: 3410600 CPU: 10655.7, 0.00313016/step Wall: 10655.7, 0.00313016/step, 1.38197 hours remaining, 235.417969 MB of memory in use. ENERGY: 3410600 3890.6085 20430.9878 14293.2152 234.5977 -202852.2621 2469.4106 0.0000 0.0000 52066.9409 -109466.5014 299.2294 -161533.4423 -109093.2376 299.1720 -245.1567 -213.8514 764202.7261 4.2136 4.1055 PRESSURE: 3410800 -338.452 158.274 -226.921 158.275 -50.8261 117.549 -226.921 117.549 -201.543 GPRESSURE: 3410800 -273.57 117.861 -200.164 148.818 -12.1552 50.6556 -463.946 91.1834 -232.169 PRESSAVG: 3410800 41.4638 -6.07624 -0.589645 -6.07622 42.2442 11.3453 -0.58967 11.3453 -8.37276 GPRESSAVG: 3410800 41.4672 -5.02177 -0.387037 -6.10741 43.4087 12.4113 0.885157 10.7763 -9.67807 TIMING: 3410800 CPU: 10656.3, 0.00313749/step Wall: 10656.3, 0.00313749/step, 1.38503 hours remaining, 235.417969 MB of memory in use. ENERGY: 3410800 3946.5761 20415.9524 14356.4465 232.0092 -203198.0768 2690.5559 0.0000 0.0000 52267.9241 -109288.6127 300.3845 -161556.5368 -108930.0782 299.6179 -196.9403 -172.6314 761713.7403 25.1118 25.0660 PRESSURE: 3411000 -258.576 84.8766 -157.899 84.8758 312.057 -196.81 -157.899 -196.81 104.777 GPRESSURE: 3411000 -180.133 61.3749 -94.8011 67.5178 268.397 -92.0707 -254.677 -249.194 131.233 PRESSAVG: 3411000 0.948563 -37.94 10.7393 -37.94 -28.6456 23.9805 10.7392 23.9806 10.942 GPRESSAVG: 3411000 0.728185 -38.4776 10.3069 -36.6589 -29.7232 24.2687 9.16392 23.8617 12.367 TIMING: 3411000 CPU: 10657, 0.00312297/step Wall: 10657, 0.00312297/step, 1.37844 hours remaining, 235.417969 MB of memory in use. ENERGY: 3411000 4012.4421 20411.5045 14408.8062 255.6016 -202833.2926 2412.4052 0.0000 0.0000 52173.4268 -109159.1061 299.8414 -161332.5329 -108798.9422 299.7234 52.7526 73.1658 762358.2170 -5.5850 -5.5427 PRESSURE: 3411200 -198.125 140.759 147.87 140.76 140.37 113.358 147.87 113.358 99.4601 GPRESSURE: 3411200 -66.5015 135.627 201.717 87.1804 119.024 89.7576 117.446 85.5868 64.6088 PRESSAVG: 3411200 4.20302 22.0675 0.0479503 22.0674 31.1742 66.1648 0.0480377 66.1648 -12.586 GPRESSAVG: 3411200 3.5092 20.8882 -0.16504 18.3919 32.7408 66.3024 0.511443 66.7448 -12.8585 TIMING: 3411200 CPU: 10657.6, 0.00311246/step Wall: 10657.6, 0.00311246/step, 1.37363 hours remaining, 235.417969 MB of memory in use. ENERGY: 3411200 3987.4196 20459.4181 14403.3500 271.2133 -202796.0703 2402.4520 0.0000 0.0000 52111.4073 -109160.8101 299.4850 -161272.2174 -108801.9117 299.4484 13.9017 39.0438 760636.0622 7.5971 7.7972 PRESSURE: 3411400 49.2714 -279.326 -40.026 -279.327 474.762 62.2634 -40.0265 62.2621 440.288 GPRESSURE: 3411400 201.054 -92.363 -83.7711 -104.292 429.735 81.9567 -105.292 74.648 435.931 PRESSAVG: 3411400 -39.531 -11.9803 -9.70029 -11.9802 37.7729 16.1437 -9.70031 16.1438 -17.8573 GPRESSAVG: 3411400 -39.3762 -8.00485 -8.27515 -10.9989 37.4889 15.441 -11.6458 14.4537 -17.9115 TIMING: 3411400 CPU: 10658.2, 0.00312564/step Wall: 10658.2, 0.00312564/step, 1.37927 hours remaining, 235.417969 MB of memory in use. ENERGY: 3411400 3951.1719 20459.2767 14365.1476 240.6132 -203122.3566 2937.7075 0.0000 0.0000 52303.1650 -108865.2749 300.5870 -161168.4398 -108503.5484 299.5753 321.4403 355.5732 761008.1605 -6.5384 -6.5996 PRESSURE: 3411600 -18.1713 -66.3591 -2.65169 -66.3588 55.5906 -180.263 -2.65125 -180.264 169.48 GPRESSURE: 3411600 69.2834 -148.109 -15.6877 -91.9935 -5.90487 -192.773 -24.414 -25.5157 212.54 PRESSAVG: 3411600 -35.6212 10.0323 7.85882 10.0323 3.60296 -36.1564 7.85875 -36.1563 8.58334 GPRESSAVG: 3411600 -35.868 6.40844 7.8094 12.9931 3.98281 -35.9346 9.41333 -34.4278 8.19868 TIMING: 3411600 CPU: 10658.8, 0.0031246/step Wall: 10658.8, 0.0031246/step, 1.37864 hours remaining, 235.417969 MB of memory in use. ENERGY: 3411600 3986.9231 20477.1065 14363.0791 249.9759 -202434.4497 2509.6255 0.0000 0.0000 51854.0862 -108993.6533 298.0061 -160847.7395 -108640.4347 299.8565 68.9663 91.9730 762294.9698 -7.8116 -7.8955 PRESSURE: 3411800 -89.1171 74.1699 9.07638 74.1707 -86.648 20.7419 9.07652 20.742 210.021 GPRESSURE: 3411800 -79.5966 50.1196 1.22501 98.032 -77.027 62.1121 132.967 78.0175 297.504 PRESSAVG: 3411800 -37.5517 4.3835 -19.4707 4.38348 -17.5489 -28.0084 -19.4708 -28.0083 -15.7513 GPRESSAVG: 3411800 -36.8929 5.39397 -20.9158 2.54287 -18.3562 -28.1276 -19.2801 -26.9444 -15.05 TIMING: 3411800 CPU: 10659.4, 0.00310541/step Wall: 10659.4, 0.00310541/step, 1.37 hours remaining, 235.417969 MB of memory in use. ENERGY: 3411800 3938.1255 20497.7838 14452.8394 241.9561 -203104.9125 2829.9630 0.0000 0.0000 52062.0099 -109082.2349 299.2011 -161144.2448 -108721.7088 299.4997 11.4188 46.9601 762126.4710 -23.6173 -23.4330 PRESSURE: 3412000 -262.234 -89.2962 109.919 -89.2964 -71.3099 195.451 109.919 195.45 -4.74971 GPRESSURE: 3412000 -180.523 1.7973 -27.4926 -52.4319 -60.0312 248.717 118.759 47.5482 2.23839 PRESSAVG: 3412000 17.6714 23.4444 35.9358 23.4444 -18.9634 -24.6464 35.9358 -24.6465 0.541231 GPRESSAVG: 3412000 18.0905 24.5237 37.108 22.3669 -19.1569 -24.4302 35.6363 -26.7135 0.3716 TIMING: 3412000 CPU: 10660.1, 0.00310292/step Wall: 10660.1, 0.00310292/step, 1.36873 hours remaining, 235.417969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3412000 3948.3079 20425.6543 14360.9373 261.9268 -203063.1088 2513.1794 0.0000 0.0000 52301.7735 -109251.3295 300.5790 -161553.1030 -108881.5103 299.3190 -112.7644 -79.4386 763769.4676 -0.2503 -0.2316 PRESSURE: 3412200 131.556 9.39577 -10.9981 9.39495 -236.449 123.983 -10.9982 123.982 91.8207 GPRESSURE: 3412200 127.625 7.21429 -52.1472 6.92867 -175.645 174.145 68.6062 142.907 121.772 PRESSAVG: 3412200 15.8926 36.4576 3.14889 36.4575 -5.09694 25.2205 3.14894 25.2205 -37.2688 GPRESSAVG: 3412200 14.4766 35.9992 2.99683 35.3121 -4.73203 24.2495 3.76793 26.6565 -36.5029 TIMING: 3412200 CPU: 10660.7, 0.00309777/step Wall: 10660.7, 0.00309777/step, 1.36629 hours remaining, 235.417969 MB of memory in use. ENERGY: 3412200 3971.2185 20616.5107 14425.4040 242.4997 -202463.0069 2239.6228 0.0000 0.0000 52088.9595 -108878.7917 299.3560 -160967.7512 -108527.6354 299.7436 -4.3574 24.5839 762732.5453 -8.8244 -8.9194 LDB: ============= START OF LOAD BALANCING ============== 10673.2 LDB: ============== END OF LOAD BALANCING =============== 10673.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10673.2 LDB: ============= START OF LOAD BALANCING ============== 10673.5 LDB: Largest compute 7077 load 0.030725 is 15.7% of average load 0.195130 LDB: Average compute 0.004386 is 2.2% of average load 0.195130 LDB: TIME 10673.5 LOAD: AVG 0.19513 MAX 0.216164 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.945 MB LDB: TIME 10673.5 LOAD: AVG 0.19513 MAX 0.216164 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.145 MB LDB: TIME 10673.5 LOAD: AVG 0.19513 MAX 0.216164 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.145 MB LDB: ============== END OF LOAD BALANCING =============== 10673.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10673.5 PRESSURE: 3412400 327.637 -137.338 164.564 -137.337 326.138 100.275 164.564 100.275 266.545 GPRESSURE: 3412400 346.264 -53.4494 205.388 -162.812 380.631 86.0242 71.8897 39.6421 288.476 PRESSAVG: 3412400 -27.6973 -8.34071 -21.2424 -8.3407 -18.1378 -13.6468 -21.2424 -13.6469 -8.19963 GPRESSAVG: 3412400 -26.8031 -8.23709 -21.688 -6.36885 -17.6922 -13.1055 -22.5964 -13.1518 -9.16446 TIMING: 3412400 CPU: 10661.3, 0.00317544/step Wall: 10661.3, 0.00317544/step, 1.40037 hours remaining, 234.957031 MB of memory in use. ENERGY: 3412400 3973.3508 20602.1896 14403.5297 234.8022 -203181.0936 2907.0724 0.0000 0.0000 52120.3031 -108939.8458 299.5361 -161060.1489 -108582.1519 299.8753 306.7732 338.4569 763476.8710 -18.0116 -17.8866 PRESSURE: 3412600 -266.087 -216.702 97.328 -216.702 -102.003 43.3425 97.3278 43.3423 -277.008 GPRESSURE: 3412600 -308.122 -176.79 62.7005 -127.534 -72.8817 -0.848151 87.6642 -63.3282 -189.038 PRESSAVG: 3412600 -23.1647 -6.79964 -14.7211 -6.79962 -33.5756 22.1589 -14.7211 22.1589 -14.5456 GPRESSAVG: 3412600 -23.4971 -7.10724 -16.1313 -7.7739 -33.9655 21.5283 -12.7648 21.6763 -13.5374 TIMING: 3412600 CPU: 10661.9, 0.00309822/step Wall: 10661.9, 0.00309822/step, 1.36614 hours remaining, 235.160156 MB of memory in use. ENERGY: 3412600 3945.6840 20597.2944 14385.1362 240.5363 -202930.6924 2613.4516 0.0000 0.0000 52055.2245 -109093.3654 299.1621 -161148.5899 -108731.5790 300.0356 -215.0329 -190.0141 764642.8727 -23.7619 -23.6667 PRESSURE: 3412800 115.192 -69.749 159.021 -69.7479 211.07 160.737 159.02 160.736 13.8609 GPRESSURE: 3412800 143.313 -105.315 69.5637 -90.52 221.903 196.406 58.5289 257.097 51.8856 PRESSAVG: 3412800 48.7316 -44.9187 -1.22116 -44.9188 -19.3609 9.18959 -1.22114 9.18955 -2.85774 GPRESSAVG: 3412800 48.8083 -47.8557 -1.36324 -42.636 -18.7214 11.0015 -2.07553 7.70019 -3.68965 TIMING: 3412800 CPU: 10662.6, 0.00309691/step Wall: 10662.6, 0.00309691/step, 1.36539 hours remaining, 235.160156 MB of memory in use. ENERGY: 3412800 3936.5825 20668.8735 14339.7147 241.3758 -203314.0064 2972.3105 0.0000 0.0000 52038.5032 -109116.6461 299.0660 -161155.1493 -108756.1813 299.6846 113.3744 139.0338 763073.7116 8.8377 8.7991 PRESSURE: 3413000 -222.425 -3.94799 22.3081 -3.94824 -182.66 25.9235 22.3083 25.9242 -120.56 GPRESSURE: 3413000 -46.471 -48.2444 72.9894 -80.9421 -243.37 32.9292 -22.5329 -33.2901 -122.627 PRESSAVG: 3413000 34.207 -10.6248 -5.30085 -10.6248 -19.5145 -0.0586279 -5.30088 -0.0585894 11.1817 GPRESSAVG: 3413000 33.7541 -9.35356 -4.96435 -12.254 -18.395 1.86658 -5.11869 0.885161 11.1094 TIMING: 3413000 CPU: 10663.2, 0.00308929/step Wall: 10663.2, 0.00308929/step, 1.36186 hours remaining, 235.160156 MB of memory in use. ENERGY: 3413000 4038.8948 20483.4796 14354.5309 250.1730 -202724.6477 2218.5294 0.0000 0.0000 52264.4847 -109114.5554 300.3647 -161379.0400 -108742.6848 299.7851 -175.2149 -137.4896 762342.1351 8.6248 8.8228 PRESSURE: 3413200 59.3732 -302.37 342.802 -302.37 -29.6563 -135.746 342.802 -135.747 -68.6587 GPRESSURE: 3413200 199.633 -280.903 344.218 -187.226 -26.755 -133.747 242.478 -61.3733 -134.483 PRESSAVG: 3413200 -55.8688 -34.1987 -27.2306 -34.1987 26.4973 -42.1612 -27.2307 -42.1612 6.73056 GPRESSAVG: 3413200 -55.32 -35.9539 -28.3072 -33.265 25.3366 -45.6765 -28.9901 -40.5546 7.02616 TIMING: 3413200 CPU: 10663.8, 0.00310841/step Wall: 10663.8, 0.00310841/step, 1.37012 hours remaining, 235.160156 MB of memory in use. ENERGY: 3413200 3998.6671 20584.3948 14452.8678 222.7600 -203097.1707 2414.6254 0.0000 0.0000 52344.8098 -109079.0459 300.8263 -161423.8557 -108717.4864 300.2724 -12.9806 12.7984 760542.2461 -7.5470 -7.6524 PRESSURE: 3413400 57.1096 -120.396 -188.314 -120.396 -262.871 -38.0373 -188.315 -38.036 -30.5057 GPRESSURE: 3413400 32.8984 -82.2354 -136.705 -241.241 -183.835 117.219 -103.814 -79.6176 6.70185 PRESSAVG: 3413400 6.53068 -37.7629 -10.4219 -37.763 -33.9331 -17.7657 -10.4219 -17.7658 14.1887 GPRESSAVG: 3413400 6.25652 -36.1447 -7.92001 -38.6524 -33.2774 -16.3037 -7.70321 -17.87 14.4144 TIMING: 3413400 CPU: 10664.4, 0.00311648/step Wall: 10664.4, 0.00311648/step, 1.3735 hours remaining, 235.160156 MB of memory in use. ENERGY: 3413400 4039.1732 20455.9258 14409.2628 261.4026 -202645.8586 2424.7040 0.0000 0.0000 52152.7871 -108902.6032 299.7228 -161055.3903 -108548.3190 299.8081 -78.7557 -48.0783 762844.5095 -4.4046 -4.2022 PRESSURE: 3413600 -331.891 -70.0174 -159.414 -70.0178 123.066 77.5634 -159.414 77.5633 310.985 GPRESSURE: 3413600 -226.608 -200.345 -189.219 -5.99281 144.84 171.299 -203.274 79.6859 277.908 PRESSAVG: 3413600 47.5803 -47.4518 -1.02965 -47.4517 -20.0016 20.0735 -1.02975 20.0735 2.85908 GPRESSAVG: 3413600 48.1255 -45.6948 -3.68133 -47.2394 -19.4375 19.4873 -2.40316 18.695 2.44135 TIMING: 3413600 CPU: 10665.1, 0.00313408/step Wall: 10665.1, 0.00313408/step, 1.38108 hours remaining, 235.160156 MB of memory in use. ENERGY: 3413600 4012.9046 20633.6949 14403.7509 254.9435 -202919.2987 2406.1223 0.0000 0.0000 51948.0590 -109259.8235 298.5462 -161207.8825 -108899.8048 299.5819 34.0531 65.3801 761809.7766 10.1459 10.3765 PRESSURE: 3413800 170.573 -153.438 -149.741 -153.437 -318.001 -272.039 -149.741 -272.038 -223.944 GPRESSURE: 3413800 166.028 -161.482 -130.333 -133.105 -196.407 -203.693 -92.5885 -200.865 -269.974 PRESSAVG: 3413800 -31.4718 -28.5302 -26.5407 -28.5302 3.56142 -6.58632 -26.5407 -6.5863 -6.76839 GPRESSAVG: 3413800 -31.3551 -29.2114 -24.072 -27.914 3.24451 -6.27371 -26.2575 -5.10829 -6.31589 TIMING: 3413800 CPU: 10665.7, 0.00311784/step Wall: 10665.7, 0.00311784/step, 1.37376 hours remaining, 235.160156 MB of memory in use. ENERGY: 3413800 4078.5608 20343.3080 14399.2902 251.5543 -203027.1462 2467.4865 0.0000 0.0000 52178.3441 -109308.6022 299.8697 -161486.9463 -108945.6077 299.3360 -123.7906 -100.1179 762623.4803 -11.5596 -11.4755 PRESSURE: 3414000 -343.731 52.3936 165.47 52.3936 -111.672 24.2324 165.47 24.2337 -162.052 GPRESSURE: 3414000 -240.907 33.4117 120.775 74.2008 -208.078 89.0736 192.355 -63.681 -94.8328 PRESSAVG: 3414000 33.1697 -5.0885 10.4742 -5.08843 -27.1189 33.3338 10.4743 33.3338 -35.8034 GPRESSAVG: 3414000 34.0075 -6.3602 9.20384 -6.02394 -27.8765 33.2565 11.1686 35.473 -35.9495 TIMING: 3414000 CPU: 10666.3, 0.00312169/step Wall: 10666.3, 0.00312169/step, 1.37528 hours remaining, 235.160156 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: 3414000 4059.0667 20492.8829 14371.6100 266.8159 -202794.1353 2355.8810 0.0000 0.0000 51860.1575 -109387.7213 298.0410 -161247.8788 -109023.4026 298.8057 -205.8182 -181.2726 764563.6863 -9.9175 -9.9395 PRESSURE: 3414200 38.4916 -103.992 -36.5104 -103.992 105.212 -88.8058 -36.5103 -88.8058 90.3715 GPRESSURE: 3414200 12.3048 -159.052 -5.49488 -31.1654 182.685 -68.2715 -118.652 -249.987 113.59 PRESSAVG: 3414200 -13.7748 -20.5951 35.8729 -20.595 57.3873 -12.7058 35.873 -12.7057 -0.00807176 GPRESSAVG: 3414200 -13.4802 -20.6934 35.051 -19.9981 58.2514 -11.9189 35.8145 -16.8341 -0.983898 TIMING: 3414200 CPU: 10666.9, 0.00312123/step Wall: 10666.9, 0.00312123/step, 1.3749 hours remaining, 235.160156 MB of memory in use. ENERGY: 3414200 3964.7385 20587.8822 14439.6714 259.0630 -203422.6966 2948.3777 0.0000 0.0000 51909.4814 -109313.4823 298.3245 -161222.9637 -108965.3103 299.3845 78.0250 102.8599 761690.1468 14.5348 14.5957 PRESSURE: 3414400 -514.058 163.037 -270.786 163.037 -164.232 117.097 -270.786 117.098 -130.03 GPRESSURE: 3414400 -367.162 71.241 -257.499 135.566 -194.979 138.996 -112.221 185.54 -157.644 PRESSAVG: 3414400 -25.4884 -66.4661 1.64261 -66.4662 1.28142 -17.2455 1.64264 -17.2454 -24.8219 GPRESSAVG: 3414400 -27.2372 -66.3915 3.30742 -65.7965 1.52437 -18.7301 0.659306 -13.9158 -23.2757 TIMING: 3414400 CPU: 10667.5, 0.00310179/step Wall: 10667.5, 0.00310179/step, 1.36616 hours remaining, 235.160156 MB of memory in use. ENERGY: 3414400 3933.4236 20512.6827 14495.0626 231.9356 -203370.5083 2630.8108 0.0000 0.0000 52177.4294 -109389.1636 299.8644 -161566.5930 -109026.4023 299.7061 -269.4401 -239.9284 761598.8662 -16.3430 -16.3295 PRESSURE: 3414600 -1.40762 -65.9606 104.546 -65.96 281.938 -92.3139 104.546 -92.3142 -194.454 GPRESSURE: 3414600 38.1161 -55.4245 -1.49819 24.195 320.074 -30.3353 175.826 -128.618 -178.685 PRESSAVG: 3414600 -32.0272 -40.0325 -35.2303 -40.0325 25.8062 -47.495 -35.2302 -47.4949 11.8512 GPRESSAVG: 3414600 -31.5642 -39.9614 -35.6153 -41.2536 26.1813 -47.5667 -37.0905 -49.2397 11.0238 TIMING: 3414600 CPU: 10668.2, 0.00312188/step Wall: 10668.2, 0.00312188/step, 1.37484 hours remaining, 235.160156 MB of memory in use. ENERGY: 3414600 3908.1881 20630.0303 14318.4220 238.5127 -202950.8961 2347.8603 0.0000 0.0000 52174.3745 -109333.5082 299.8468 -161507.8827 -108973.7307 299.7092 28.6919 59.8349 761686.7862 1.8767 1.8803 PRESSURE: 3414800 -308.773 -210.099 -25.2737 -210.099 -37.5969 -186.616 -25.2737 -186.616 -55.978 GPRESSURE: 3414800 -259.312 -173.647 -15.1907 -232.88 -51.1424 -59.9496 33.0353 -155.446 -4.22184 PRESSAVG: 3414800 19.8696 -39.3029 -50.7741 -39.3028 0.0824195 -25.7238 -50.774 -25.7238 -1.89503 GPRESSAVG: 3414800 19.9625 -37.8538 -50.6265 -41.383 -0.484864 -26.2287 -48.7132 -24.896 -1.86089 TIMING: 3414800 CPU: 10668.8, 0.00311431/step Wall: 10668.8, 0.00311431/step, 1.37133 hours remaining, 235.160156 MB of memory in use. ENERGY: 3414800 4052.7764 20457.2595 14360.9170 241.3479 -203317.4355 2557.5700 0.0000 0.0000 52349.0502 -109298.5145 300.8507 -161647.5647 -108935.8294 299.8488 -134.1160 -104.8920 762994.1175 6.0190 5.8722 PRESSURE: 3415000 267.479 -63.9481 57.0719 -63.9473 -1.70956 -135.345 57.0722 -135.345 117.107 GPRESSURE: 3415000 352.416 -141.013 11.0008 -133.664 39.7649 -77.6134 6.62446 -135.82 96.881 PRESSAVG: 3415000 -14.6638 -50.6173 -48.0176 -50.6173 39.2994 25.916 -48.0176 25.916 -16.3992 GPRESSAVG: 3415000 -15.3402 -52.0011 -49.3439 -48.0789 39.4623 26.8703 -47.0038 26.292 -15.8631 TIMING: 3415000 CPU: 10669.4, 0.00312443/step Wall: 10669.4, 0.00312444/step, 1.37562 hours remaining, 235.160156 MB of memory in use. ENERGY: 3415000 3976.1607 20550.0079 14360.2457 255.3847 -203039.6189 2581.2658 0.0000 0.0000 51923.8580 -109392.6962 298.4071 -161316.5541 -109040.4381 299.1856 127.6255 163.0206 762444.6474 2.7455 2.7530 PRESSURE: 3415200 -129.627 20.884 -219.663 20.8836 397.018 25.3695 -219.663 25.3699 47.9092 GPRESSURE: 3415200 -31.1834 -44.5311 -245.89 28.5272 311.63 29.7218 -157.891 88.0787 122.113 PRESSAVG: 3415200 -15.0114 -23.7662 -33.2475 -23.7662 -17.8704 29.8467 -33.2475 29.8467 9.1504 GPRESSAVG: 3415200 -14.8974 -26.4891 -30.664 -24.4227 -18.0529 29.2317 -34.8642 28.3615 8.84791 TIMING: 3415200 CPU: 10670, 0.00311104/step Wall: 10670, 0.00311104/step, 1.36955 hours remaining, 235.160156 MB of memory in use. ENERGY: 3415200 3946.9255 20533.7744 14341.6111 244.1242 -203277.1579 2714.4649 0.0000 0.0000 52204.6643 -109291.5936 300.0209 -161496.2579 -108929.9332 299.1108 105.1004 134.1867 761869.3211 -7.9105 -8.0341 PRESSURE: 3415400 169.046 -19.4198 195.02 -19.4197 -79.98 -181.675 195.02 -181.674 -149.795 GPRESSURE: 3415400 234.754 11.7073 107.938 9.74565 -68.4334 -140.278 178.58 -174.232 -132.897 PRESSAVG: 3415400 8.43434 -40.6925 26.3123 -40.6925 27.1728 19.0955 26.3123 19.0955 9.05029 GPRESSAVG: 3415400 8.91621 -36.3977 23.3779 -40.4561 27.1304 19.4836 26.728 18.2431 8.71802 TIMING: 3415400 CPU: 10670.7, 0.00310991/step Wall: 10670.7, 0.00310991/step, 1.36888 hours remaining, 235.160156 MB of memory in use. ENERGY: 3415400 3984.5374 20462.1380 14379.4511 233.7371 -203019.7083 2420.1700 0.0000 0.0000 52079.8965 -109459.7781 299.3039 -161539.6746 -109093.6050 299.1369 -20.2428 11.1412 762754.7502 14.8858 14.9215 PRESSURE: 3415600 265.048 216.269 -237.208 216.268 94.024 79.2676 -237.209 79.2679 257.425 GPRESSURE: 3415600 284.812 179.516 -250.566 78.1779 148.235 128.948 -131.03 50.3802 270.702 PRESSAVG: 3415600 -55.9883 -27.2096 -29.3412 -27.2097 41.0764 54.9649 -29.3412 54.9649 8.42256 GPRESSAVG: 3415600 -55.1997 -28.8005 -30.0029 -28.0696 41.0466 53.7563 -28.8093 56.9113 7.05313 TIMING: 3415600 CPU: 10671.3, 0.00311152/step Wall: 10671.3, 0.00311152/step, 1.36942 hours remaining, 235.160156 MB of memory in use. ENERGY: 3415600 3966.4599 20609.5891 14340.2272 255.7824 -203493.3427 2746.9709 0.0000 0.0000 52256.6664 -109317.6469 300.3198 -161574.3132 -108954.1789 299.6390 205.4991 234.5829 759899.1513 -2.1631 -2.3667 PRESSURE: 3415800 -109.817 -49.6067 -60.8391 -49.6064 -117.825 82.5924 -60.8401 82.5921 -323.601 GPRESSURE: 3415800 -17.4424 -19.3366 -75.6797 -20.6028 -111.36 72.7392 -145.487 205.45 -335.574 PRESSAVG: 3415800 1.15273 -37.3866 -17.9907 -37.3866 13.1691 25.955 -17.9907 25.955 4.88438 GPRESSAVG: 3415800 0.878816 -35.0843 -16.2327 -37.4112 12.9457 26.7389 -17.2292 24.4025 5.7445 TIMING: 3415800 CPU: 10671.9, 0.0031071/step Wall: 10671.9, 0.0031071/step, 1.3673 hours remaining, 235.160156 MB of memory in use. ENERGY: 3415800 3974.5908 20537.1153 14309.1704 257.1472 -202690.9908 2333.8501 0.0000 0.0000 52082.9399 -109196.1771 299.3214 -161279.1170 -108824.7085 299.9423 -183.7480 -154.7920 762895.3971 6.4021 6.5230 PRESSURE: 3416000 214.867 -278.049 92.5105 -278.049 -184.037 137.184 92.5103 137.183 6.0948 GPRESSURE: 3416000 294.172 -315.747 7.83066 -110.546 -171.131 79.4174 -6.08637 69.7863 3.1172 PRESSAVG: 3416000 0.80057 -43.448 36.4699 -43.448 1.65258 -45.111 36.4699 -45.1109 -11.675 GPRESSAVG: 3416000 0.148264 -44.6767 36.5322 -42.8372 1.76148 -44.9249 34.3937 -44.2259 -11.4352 TIMING: 3416000 CPU: 10672.5, 0.00310387/step Wall: 10672.5, 0.00310387/step, 1.3657 hours remaining, 235.160156 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: 3416000 3952.0380 20624.0403 14372.4416 246.0385 -202822.7266 2246.5682 0.0000 0.0000 52215.4540 -109166.1461 300.0829 -161381.6001 -108812.9223 300.1476 12.3082 42.0528 761626.2733 -3.0739 -3.1751 PRESSURE: 3416200 -23.1323 -137.182 -66.4442 -137.182 -114.232 -219.192 -66.4443 -219.192 120.702 GPRESSURE: 3416200 -70.611 -85.1385 -16.6923 -48.4335 -68.7636 -225.346 43.4144 -183.833 213.647 PRESSAVG: 3416200 -12.6199 -48.7706 8.47805 -48.7706 19.0292 -6.0569 8.47808 -6.05689 -6.94692 GPRESSAVG: 3416200 -12.9469 -51.2915 8.60621 -50.1954 19.8316 -5.20943 9.08564 -6.37027 -7.20328 TIMING: 3416200 CPU: 10673.1, 0.00310182/step Wall: 10673.1, 0.00310182/step, 1.36463 hours remaining, 235.160156 MB of memory in use. ENERGY: 3416200 3950.5695 20419.5512 14386.1047 262.8586 -202933.0600 2303.1010 0.0000 0.0000 52071.9622 -109538.9129 299.2583 -161610.8750 -109168.8641 299.5655 -5.5544 24.7574 761136.5357 -0.1792 -0.1062 LDB: ============= START OF LOAD BALANCING ============== 10685.6 LDB: ============== END OF LOAD BALANCING =============== 10685.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10685.6 LDB: ============= START OF LOAD BALANCING ============== 10685.9 LDB: Largest compute 7031 load 0.028567 is 14.6% of average load 0.195152 LDB: Average compute 0.004383 is 2.2% of average load 0.195152 LDB: TIME 10685.9 LOAD: AVG 0.195152 MAX 0.216814 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.082 MB LDB: TIME 10685.9 LOAD: AVG 0.195152 MAX 0.216814 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.152 MB LDB: TIME 10685.9 LOAD: AVG 0.195152 MAX 0.216814 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.152 MB LDB: ============== END OF LOAD BALANCING =============== 10685.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10685.9 PRESSURE: 3416400 196.032 105.066 -0.415432 105.066 81.6508 -210.597 -0.415646 -210.597 -121.601 GPRESSURE: 3416400 229.463 163.001 70.0117 181.782 53.0244 -161.935 9.29366 -163.49 -28.4114 PRESSAVG: 3416400 -60.8106 -21.174 -17.5486 -21.1741 8.73911 -43.4289 -17.5486 -43.4288 -12.049 GPRESSAVG: 3416400 -60.2458 -20.6576 -16.1537 -20.16 7.01834 -44.5506 -18.4839 -42.8255 -11.1 TIMING: 3416400 CPU: 10673.8, 0.00317893/step Wall: 10673.8, 0.00317893/step, 1.39838 hours remaining, 235.015625 MB of memory in use. ENERGY: 3416400 3976.5469 20450.6720 14450.9551 246.4479 -203044.0980 2533.0166 0.0000 0.0000 52047.3275 -109339.1320 299.1167 -161386.4595 -108971.3905 299.2499 52.0274 84.6920 761483.1397 -21.3735 -21.4425 PRESSURE: 3416600 -312.653 36.6135 -34.884 36.6134 -55.5656 256.859 -34.8846 256.859 -54.7393 GPRESSURE: 3416600 -262.03 20.2216 -24.8505 -77.4049 5.55097 224.711 31.8624 243.21 -79.8885 PRESSAVG: 3416600 -55.1847 -35.7119 -16.7042 -35.7119 64.1803 9.53987 -16.7042 9.53991 15.9952 GPRESSAVG: 3416600 -55.8208 -35.1102 -18.9836 -35.4429 65.8348 11.4236 -14.6304 7.23324 15.6753 TIMING: 3416600 CPU: 10674.4, 0.00312756/step Wall: 10674.4, 0.00312756/step, 1.37561 hours remaining, 235.015625 MB of memory in use. ENERGY: 3416600 3978.7458 20480.5750 14392.1473 266.9334 -202974.2194 2342.6468 0.0000 0.0000 52250.7096 -109262.4615 300.2855 -161513.1712 -108897.2853 299.4681 -140.9861 -112.1224 760008.3563 8.3303 8.5631 PRESSURE: 3416800 313.888 -266.154 -37.1286 -266.154 8.65955 -76.5303 -37.1287 -76.5298 -26.2352 GPRESSURE: 3416800 247.811 -210.098 -55.8533 -206.533 76.0274 -96.3073 -149.034 -22.293 51.1912 PRESSAVG: 3416800 -59.7185 -25.9776 16.8392 -25.9777 19.9505 -2.80246 16.8393 -2.80245 -12.8938 GPRESSAVG: 3416800 -58.9722 -26.1889 16.4069 -27.0784 19.0952 -3.83661 14.8434 -2.30252 -13.1817 TIMING: 3416800 CPU: 10675, 0.00313752/step Wall: 10675, 0.00313752/step, 1.37981 hours remaining, 235.015625 MB of memory in use. ENERGY: 3416800 3923.0220 20412.8750 14445.9948 238.4830 -203066.7681 2562.7145 0.0000 0.0000 52102.7468 -109380.9321 299.4352 -161483.6789 -109015.6093 299.2540 98.7709 125.0098 761298.0148 -17.5539 -17.6863 PRESSURE: 3417000 -229.909 -61.538 -95.4503 -61.5387 64.7085 -143.199 -95.4516 -143.199 340.865 GPRESSURE: 3417000 -180.477 -153.971 -174.028 -34.9591 89.811 -182.799 -42.2684 -92.5253 353.891 PRESSAVG: 3417000 -7.48669 -59.7036 -28.5133 -59.7036 24.825 -34.0535 -28.5133 -34.0535 6.89022 GPRESSAVG: 3417000 -8.37395 -58.9383 -27.5749 -59.7084 23.9014 -33.917 -28.8917 -34.4453 8.39182 TIMING: 3417000 CPU: 10675.7, 0.00310882/step Wall: 10675.7, 0.00310882/step, 1.36702 hours remaining, 235.015625 MB of memory in use. ENERGY: 3417000 3936.8818 20453.5031 14484.0849 244.0955 -203227.8350 2652.5190 0.0000 0.0000 51967.0852 -109489.6654 298.6556 -161456.7506 -109130.4217 299.1259 58.5547 87.7416 761578.2406 8.0762 7.9731 PRESSURE: 3417200 -7.46661 -7.70956 172.786 -7.70951 -80.7012 -75.5238 172.786 -75.5247 -232.083 GPRESSURE: 3417200 66.8298 -65.8359 193.662 5.06456 -71.2956 -39.1681 136.575 23.0405 -250.411 PRESSAVG: 3417200 -13.2948 -6.10654 25.1801 -6.10647 54.0726 -27.807 25.18 -27.807 9.5265 GPRESSAVG: 3417200 -13.625 -4.7507 24.2859 -7.05035 55.3871 -27.6688 26.1075 -24.3455 8.7049 TIMING: 3417200 CPU: 10676.3, 0.00311923/step Wall: 10676.3, 0.00311923/step, 1.37142 hours remaining, 235.015625 MB of memory in use. ENERGY: 3417200 3990.7716 20529.3318 14428.8486 226.7910 -203153.3975 2352.8492 0.0000 0.0000 52165.7321 -109459.0732 299.7972 -161624.8053 -109101.9978 299.3950 -106.7501 -84.9590 761761.9986 16.7681 16.8223 PRESSURE: 3417400 -281.265 -110.532 -37.0788 -110.531 117.851 -246.251 -37.0789 -246.251 323.753 GPRESSURE: 3417400 -226.721 -104.879 -24.1122 -114.902 147.734 -183.3 -143.758 -259.829 318.154 PRESSAVG: 3417400 -17.9439 -9.36265 10.1804 -9.36256 54.6289 -31.1631 10.1804 -31.1631 3.02481 GPRESSAVG: 3417400 -16.9601 -10.4423 10.5805 -10.2071 54.6402 -31.4376 8.18833 -31.759 2.03812 TIMING: 3417400 CPU: 10676.9, 0.0031195/step Wall: 10676.9, 0.0031195/step, 1.37137 hours remaining, 235.015625 MB of memory in use. ENERGY: 3417400 3843.9256 20588.4618 14432.2311 231.9114 -202985.7876 2476.8146 0.0000 0.0000 51881.5625 -109530.8806 298.1641 -161412.4431 -109170.5365 298.7915 53.4462 79.7222 762211.8370 13.2366 13.2394 PRESSURE: 3417600 -285.582 -337.848 -211.262 -337.848 -120.574 -51.1793 -211.262 -51.1784 -3.20902 GPRESSURE: 3417600 -263.959 -300.63 -243.003 -296.28 -93.2707 -52.9693 -171.922 -212.785 9.71076 PRESSAVG: 3417600 -46.6175 -20.072 -15.3061 -20.072 52.0491 -5.79588 -15.3061 -5.79588 -20.533 GPRESSAVG: 3417600 -46.3793 -19.1222 -16.1242 -19.2384 50.9224 -5.02549 -13.7016 -7.56904 -19.5549 TIMING: 3417600 CPU: 10677.5, 0.00310458/step Wall: 10677.5, 0.00310458/step, 1.36464 hours remaining, 235.015625 MB of memory in use. ENERGY: 3417600 4000.3397 20602.4728 14477.6653 239.9506 -202994.2012 2196.1574 0.0000 0.0000 52279.9594 -109197.6561 300.4536 -161477.6155 -108832.7452 299.3866 -136.4551 -115.8398 761745.0225 -5.0338 -5.0039 PRESSURE: 3417800 -166.941 273.18 119.907 273.18 201.232 -76.3722 119.908 -76.3725 170.86 GPRESSURE: 3417800 -23.5528 216.042 58.7292 217.671 164.39 -84.9484 125.875 -60.2754 160.922 PRESSAVG: 3417800 -13.9138 -13.0353 7.47258 -13.0354 43.3277 16.2756 7.47258 16.2756 9.71206 GPRESSAVG: 3417800 -14.0804 -12.2377 7.26431 -12.4892 44.0671 13.7223 5.87732 15.8802 9.7283 TIMING: 3417800 CPU: 10678.1, 0.00310173/step Wall: 10678.1, 0.00310173/step, 1.36321 hours remaining, 235.015625 MB of memory in use. ENERGY: 3417800 3945.6961 20528.1824 14485.3578 260.8409 -203126.3333 2538.2004 0.0000 0.0000 52215.4427 -109152.6130 300.0829 -161368.0557 -108794.3368 299.3129 68.3837 100.5866 761341.6613 13.0420 13.2383 PRESSURE: 3418000 -51.0471 58.916 94.5924 58.9161 178.774 -138.536 94.5916 -138.535 -26.7941 GPRESSURE: 3418000 -23.5169 80.682 167.752 83.705 236.716 -111.588 33.7477 -113.316 -12.1234 PRESSAVG: 3418000 9.18461 31.2171 57.0862 31.2171 1.61522 48.0611 57.0863 48.0611 -9.96979 GPRESSAVG: 3418000 9.2126 30.7191 58.4999 32.3544 2.27481 49.9236 58.8738 48.2893 -10.2583 TIMING: 3418000 CPU: 10678.8, 0.00310654/step Wall: 10678.8, 0.00310654/step, 1.36515 hours remaining, 235.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3418000 4002.6577 20470.9492 14433.3668 269.5445 -203037.4754 2424.5989 0.0000 0.0000 52058.1063 -109378.2521 299.1787 -161436.3584 -109014.1580 299.7739 33.6443 67.0254 762428.2845 0.2767 0.4097 PRESSURE: 3418200 -173.06 163.443 -72.8078 163.442 193.315 -153.975 -72.8085 -153.975 176.831 GPRESSURE: 3418200 -13.6432 172.705 -88.9013 107.818 198.667 -165.596 -119.409 -146.639 100.345 PRESSAVG: 3418200 -83.4001 -16.3128 24.5597 -16.3127 70.0859 25.9933 24.5596 25.9932 3.61658 GPRESSAVG: 3418200 -82.4313 -17.5552 24.188 -16.6635 69.6667 26.5804 22.7655 28.5517 3.23533 TIMING: 3418200 CPU: 10679.4, 0.00310593/step Wall: 10679.4, 0.00310593/step, 1.36471 hours remaining, 235.015625 MB of memory in use. ENERGY: 3418200 3996.6605 20559.3919 14480.3614 248.7898 -203331.2659 2604.9017 0.0000 0.0000 51934.9799 -109506.1807 298.4710 -161441.1606 -109139.5728 299.3160 65.6951 95.1230 762734.2445 -3.2325 -3.1764 PRESSURE: 3418400 -242.388 -67.3869 -56.9963 -67.3868 -81.57 145.23 -56.9955 145.23 -265.68 GPRESSURE: 3418400 -219.592 16.9754 -70.6503 -94.7803 -105.155 233.027 -177.601 91.6029 -218.951 PRESSAVG: 3418400 -69.4287 6.90989 -42.6288 6.90991 47.827 14.5826 -42.6288 14.5826 4.5204 GPRESSAVG: 3418400 -68.4494 10.5373 -42.9273 5.1428 47.2793 14.7787 -42.424 11.4568 4.02682 TIMING: 3418400 CPU: 10680, 0.00311722/step Wall: 10680, 0.00311722/step, 1.3695 hours remaining, 235.015625 MB of memory in use. ENERGY: 3418400 3991.3380 20539.3197 14358.2035 238.4266 -203469.1216 2758.0139 0.0000 0.0000 52007.3809 -109576.4389 298.8871 -161583.8199 -109213.2256 298.6888 -196.5461 -181.2327 762979.2285 -5.6938 -5.7144 PRESSURE: 3418600 -332.742 -38.0419 63.8078 -38.042 106.457 173.909 63.807 173.91 -322.469 GPRESSURE: 3418600 -196.697 -60.6115 91.3075 -164.213 71.9825 149.026 -0.0865099 -14.4186 -348.976 PRESSAVG: 3418600 -53.3079 7.07301 20.0794 7.07302 60.8119 22.4857 20.0794 22.4858 -39.7509 GPRESSAVG: 3418600 -54.9026 5.51324 20.0582 10.7827 61.1418 21.6717 19.7285 23.8864 -38.8492 TIMING: 3418600 CPU: 10680.6, 0.00311579/step Wall: 10680.6, 0.00311579/step, 1.3687 hours remaining, 235.015625 MB of memory in use. ENERGY: 3418600 3923.7229 20561.1911 14413.7566 233.6736 -203266.4112 2709.0618 0.0000 0.0000 51911.9571 -109513.0481 298.3387 -161425.0051 -109155.0376 299.5269 -182.9178 -157.8968 762801.8279 -10.7490 -10.8700 PRESSURE: 3418800 169.851 -147.376 -151.975 -147.377 -126.778 349.017 -151.974 349.016 47.1204 GPRESSURE: 3418800 232.573 -5.75943 -147.464 -285.704 -88.5839 359.751 -167.95 150.827 45.0802 PRESSAVG: 3418800 -27.5093 -98.7294 -43.786 -98.7295 32.1467 79.8892 -43.786 79.8892 8.96614 GPRESSAVG: 3418800 -27.403 -100.402 -43.9463 -98.9489 32.7175 78.8468 -43.4757 77.4326 8.63413 TIMING: 3418800 CPU: 10681.3, 0.00311639/step Wall: 10681.3, 0.00311639/step, 1.36879 hours remaining, 235.015625 MB of memory in use. ENERGY: 3418800 3947.2019 20481.6367 14426.3391 273.8778 -203804.8749 2832.7219 0.0000 0.0000 52379.2718 -109463.8256 301.0244 -161843.0974 -109093.1636 299.8770 30.0645 63.0230 760347.9316 4.5345 4.6495 PRESSURE: 3419000 -152.719 38.2099 -37.5454 38.2088 -155.777 -45.8111 -37.5442 -45.8119 -39.9787 GPRESSURE: 3419000 -123.145 -40.1154 -114.493 67.7027 -73.2988 -66.5549 24.6673 -13.8092 -50.9131 PRESSAVG: 3419000 -52.7447 -37.9717 22.7204 -37.9717 25.2351 26.9757 22.7205 26.9757 20.2352 GPRESSAVG: 3419000 -52.8612 -37.6613 22.7789 -38.8841 26.0832 26.9358 23.5412 29.4786 19.2801 TIMING: 3419000 CPU: 10681.9, 0.00313016/step Wall: 10681.9, 0.00313016/step, 1.37466 hours remaining, 235.015625 MB of memory in use. ENERGY: 3419000 3980.8538 20630.9287 14403.4015 259.1621 -203238.1749 2418.3431 0.0000 0.0000 52291.2222 -109254.2634 300.5184 -161545.4856 -108884.0487 300.2667 -116.1580 -82.4523 762114.3351 -2.4248 -2.4993 PRESSURE: 3419200 175.765 -316.046 3.61055 -316.047 157.762 -239.625 3.61181 -239.624 218.232 GPRESSURE: 3419200 260.532 -283.21 34.562 -332.556 112.631 -279.192 147.346 -163.601 249.415 PRESSAVG: 3419200 -2.13829 -35.4512 -6.9556 -35.4512 39.347 32.0502 -6.95558 32.0501 3.19579 GPRESSAVG: 3419200 -0.418134 -34.8384 -6.76212 -36.675 37.4406 32.9777 -7.16162 33.7015 3.28079 TIMING: 3419200 CPU: 10682.5, 0.00312708/step Wall: 10682.5, 0.00312708/step, 1.37313 hours remaining, 235.015625 MB of memory in use. ENERGY: 3419200 3848.5671 20571.1223 14436.9484 252.8126 -203191.1090 2605.1187 0.0000 0.0000 51920.8368 -109555.7031 298.3898 -161476.5399 -109186.1840 299.8750 183.9194 207.5263 760531.9176 13.4682 13.4344 PRESSURE: 3419400 -53.1179 -61.7105 -32.3346 -61.7109 94.5015 50.9512 -32.3341 50.9518 70.335 GPRESSURE: 3419400 41.6743 -138.962 -60.4147 -180.743 147.159 -0.877023 89.215 -25.3762 6.19225 PRESSAVG: 3419400 -0.203583 -47.2909 11.4147 -47.2909 -3.30021 -39.737 11.4148 -39.7371 32.454 GPRESSAVG: 3419400 -0.735744 -49.3216 12.08 -45.5722 -2.20978 -40.2919 11.7903 -41.6356 32.0291 TIMING: 3419400 CPU: 10683.1, 0.00311008/step Wall: 10683.1, 0.00311008/step, 1.3655 hours remaining, 235.015625 MB of memory in use. ENERGY: 3419400 4027.7331 20467.6199 14446.0422 253.2393 -203685.0426 2687.4168 0.0000 0.0000 52202.7636 -109600.2278 300.0100 -161802.9914 -109244.1223 298.9484 37.2395 65.0085 760734.5868 9.6501 9.6945 PRESSURE: 3419600 -158.775 100.299 138.824 100.299 46.3372 164.961 138.824 164.961 -8.20667 GPRESSURE: 3419600 -112 51.9434 151.464 95.0221 95.5022 185.851 120.749 16.4958 -36.0473 PRESSAVG: 3419600 -32.2891 -4.41649 14.717 -4.41654 12.0253 -39.7535 14.717 -39.7535 -15.3066 GPRESSAVG: 3419600 -33.7017 -2.06632 16.1405 -7.86256 12.6824 -39.7399 13.0781 -40.9126 -14.9458 TIMING: 3419600 CPU: 10683.8, 0.00311385/step Wall: 10683.8, 0.00311385/step, 1.36698 hours remaining, 235.015625 MB of memory in use. ENERGY: 3419600 3947.5968 20542.7063 14425.9742 237.9449 -203546.3878 2629.3035 0.0000 0.0000 51911.4798 -109851.3822 298.3360 -161762.8621 -109495.8596 298.9847 -40.2150 -17.5150 762310.9785 -11.8568 -11.9884 PRESSURE: 3419800 -181.459 13.7836 163.773 13.7841 202.266 159.761 163.773 159.762 -68.6545 GPRESSURE: 3419800 -88.0357 19.185 164.429 -92.4953 185.464 197.73 191.785 201.492 -60.3416 PRESSAVG: 3419800 -54.0075 -6.50432 29.7079 -6.50431 45.3626 4.47947 29.7079 4.47951 0.38104 GPRESSAVG: 3419800 -53.7314 -8.82883 28.0924 -4.46882 44.6255 5.9932 30.9742 4.92215 0.550384 TIMING: 3419800 CPU: 10684.4, 0.00310864/step Wall: 10684.4, 0.00310864/step, 1.36452 hours remaining, 235.015625 MB of memory in use. ENERGY: 3419800 3945.5625 20487.8606 14415.6378 282.8656 -203490.8506 2683.2253 0.0000 0.0000 52014.1912 -109661.5075 298.9263 -161675.6987 -109304.0373 298.5289 -15.9493 12.3624 760821.0437 -2.7546 -2.8518 PRESSURE: 3420000 -204.712 6.9327 114.984 6.93347 2.57581 42.3226 114.985 42.3221 298.522 GPRESSURE: 3420000 -79.1194 7.23465 100.203 120.192 -88.4287 144.336 62.7301 33.8623 357.144 PRESSAVG: 3420000 -26.4268 -15.7884 40.6919 -15.7884 16.9329 57.9156 40.692 57.9155 -26.454 GPRESSAVG: 3420000 -25.2291 -13.8347 40.6084 -14.8794 17.5283 57.8338 39.9975 58.2831 -27.8537 TIMING: 3420000 CPU: 10685, 0.00310923/step Wall: 10685, 0.00310923/step, 1.36461 hours remaining, 235.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3420000 3956.9408 20589.5206 14363.8648 236.0480 -203588.0386 2761.3712 0.0000 0.0000 51896.8736 -109783.4197 298.2520 -161680.2933 -109424.5784 298.6948 32.1285 63.1987 761266.9883 -11.9827 -11.8515 PRESSURE: 3420200 -226.162 53.0414 240.935 53.0409 -182.328 30.4407 240.936 30.4395 -46.7816 GPRESSURE: 3420200 -158.522 -67.2806 314.78 36.6192 -164.709 -69.7724 215.823 -38.5999 -22.6239 PRESSAVG: 3420200 -79.1268 -0.905662 -11.9708 -0.905652 45.3585 38.0148 -11.9708 38.0148 2.31857 GPRESSAVG: 3420200 -78.8223 -0.749292 -12.4925 -0.815136 44.7292 37.6748 -12.1747 38.1674 2.52963 TIMING: 3420200 CPU: 10685.6, 0.0031049/step Wall: 10685.6, 0.0031049/step, 1.36253 hours remaining, 235.015625 MB of memory in use. ENERGY: 3420200 4028.3321 20265.8661 14376.9918 237.4499 -203325.4565 2457.9794 0.0000 0.0000 52132.9943 -109825.8429 299.6090 -161958.8372 -109464.4913 298.7336 -151.7571 -115.2849 761003.8132 -10.4833 -10.5212 LDB: ============= START OF LOAD BALANCING ============== 10698.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10698.1 LDB: =============== DONE WITH MIGRATION ================ 10698.1 LDB: ============= START OF LOAD BALANCING ============== 10698.4 LDB: Largest compute 7059 load 0.030132 is 15.4% of average load 0.195198 LDB: Average compute 0.004397 is 2.3% of average load 0.195198 LDB: TIME 10698.4 LOAD: AVG 0.195198 MAX 0.219322 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.305 MB LDB: TIME 10698.4 LOAD: AVG 0.195198 MAX 0.219322 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.305 MB LDB: TIME 10698.4 LOAD: AVG 0.195198 MAX 0.217848 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.305 MB LDB: ============== END OF LOAD BALANCING =============== 10698.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10698.4 PRESSURE: 3420400 -416.144 109.83 10.0402 109.829 -140.562 -3.34967 10.0402 -3.3498 -249.951 GPRESSURE: 3420400 -481.547 15.804 -41.2106 23.3502 -44.2326 -55.428 -47.2632 101.618 -182.328 PRESSAVG: 3420400 -42.6373 -66.803 33.0566 -66.803 35.7001 -9.53252 33.0567 -9.53249 5.0454 GPRESSAVG: 3420400 -44.6715 -68.8885 32.6238 -67.2161 35.5072 -9.93877 35.0235 -9.34574 7.01047 TIMING: 3420400 CPU: 10686.3, 0.00316655/step Wall: 10686.3, 0.00316655/step, 1.38941 hours remaining, 234.246094 MB of memory in use. ENERGY: 3420400 3979.8504 20483.5412 14392.6789 255.5575 -203378.2316 2702.6829 0.0000 0.0000 51956.0748 -109607.8459 298.5923 -161563.9207 -109244.9701 299.0263 -268.8859 -236.0359 760471.2967 -0.6306 -0.7180 PRESSURE: 3420600 -413.735 -36.6982 158.495 -36.6982 -184.676 44.0298 158.494 44.0299 -118.689 GPRESSURE: 3420600 -407.485 -116.656 156.583 -107.053 -150.792 45.032 200.33 -16.1527 -66.5776 PRESSAVG: 3420600 -14.3893 -18.3917 -15.9348 -18.3916 7.21672 -45.4057 -15.9348 -45.4057 -9.08961 GPRESSAVG: 3420600 -13.1269 -16.8609 -13.2501 -17.7848 8.23788 -46.4497 -16.9445 -46.3416 -11.7779 TIMING: 3420600 CPU: 10686.9, 0.00310197/step Wall: 10686.9, 0.00310197/step, 1.3609 hours remaining, 234.246094 MB of memory in use. ENERGY: 3420600 4028.6644 20628.6550 14472.6518 245.9661 -203099.3409 2421.9433 0.0000 0.0000 52080.7845 -109220.6759 299.3090 -161301.4604 -108860.3878 299.2460 -239.0331 -208.2848 762755.6360 -5.4207 -5.5557 PRESSURE: 3420800 197.063 166.076 -66.6236 166.076 37.4612 -82.4231 -66.6233 -82.4226 333.675 GPRESSURE: 3420800 169.343 76.3942 -18.7473 148.078 43.5197 -109.145 -68.1665 -47.0937 423.636 PRESSAVG: 3420800 -43.9357 -8.62146 -14.6874 -8.62146 13.8975 -7.21819 -14.6874 -7.2182 -2.12236 GPRESSAVG: 3420800 -44.0967 -8.29846 -14.7997 -10.5921 12.6339 -6.63 -15.255 -5.66343 -1.00541 TIMING: 3420800 CPU: 10687.5, 0.00310853/step Wall: 10687.5, 0.00310853/step, 1.36361 hours remaining, 234.246094 MB of memory in use. ENERGY: 3420800 3996.1422 20622.1589 14483.5900 238.3427 -203215.5689 2582.9065 0.0000 0.0000 51907.5361 -109384.8927 298.3133 -161292.4287 -109024.9263 299.9220 189.3999 212.1663 763183.6832 -10.7202 -10.8227 PRESSURE: 3421000 -9.75769 94.6905 -160.296 94.6902 -254.188 -12.1298 -160.295 -12.1285 -285.518 GPRESSURE: 3421000 48.2047 99.232 -179.295 52.8756 -209.579 61.2986 -22.0942 -71.5644 -314.746 PRESSAVG: 3421000 -40.6038 -21.1125 7.26026 -21.1125 35.748 24.7048 7.26028 24.7048 12.3094 GPRESSAVG: 3421000 -40.6232 -19.7406 5.30747 -20.6429 35.7512 25.228 10.6842 24.0023 12.4233 TIMING: 3421000 CPU: 10688.1, 0.00309951/step Wall: 10688.1, 0.00309951/step, 1.35948 hours remaining, 234.246094 MB of memory in use. ENERGY: 3421000 3980.6100 20608.9944 14454.5197 239.0080 -203193.6247 2560.4316 0.0000 0.0000 52174.7806 -109175.2804 299.8492 -161350.0610 -108812.7795 299.7764 -183.1547 -158.7069 763762.2987 2.4845 2.5171 PRESSURE: 3421200 14.9909 237.316 41.5134 237.315 93.6158 -119.133 41.5125 -119.134 27.7299 GPRESSURE: 3421200 56.8371 215.937 87.5485 306.002 138.927 -46.1621 -105.493 -5.29022 29.4299 PRESSAVG: 3421200 -10.1565 15.0855 -23.7126 15.0855 20.8075 1.87219 -23.7126 1.87217 -8.73596 GPRESSAVG: 3421200 -8.49937 12.7266 -22.8013 18.0447 21.1798 3.30496 -26.0229 1.11916 -9.75789 TIMING: 3421200 CPU: 10688.7, 0.00311535/step Wall: 10688.7, 0.00311535/step, 1.36625 hours remaining, 234.246094 MB of memory in use. ENERGY: 3421200 4081.4814 20583.4691 14380.7828 241.6793 -203626.8068 2829.5131 0.0000 0.0000 52206.4992 -109303.3818 300.0315 -161509.8811 -108945.9453 299.6181 45.4455 75.0647 763222.8500 0.6384 0.9742 PRESSURE: 3421400 -32.2498 -29.5992 196.032 -29.5984 -95.5495 -101.289 196.033 -101.289 131.281 GPRESSURE: 3421400 -5.39024 -45.8778 139.431 -80.1153 -2.01037 -161.463 242.107 -126.707 107.578 PRESSAVG: 3421400 13.7566 -23.82 9.35905 -23.82 -6.43772 3.25797 9.35906 3.25803 -5.73435 GPRESSAVG: 3421400 13.1295 -19.7882 7.99256 -25.438 -6.22409 1.51199 10.0374 2.7795 -5.30892 TIMING: 3421400 CPU: 10689.4, 0.00313507/step Wall: 10689.4, 0.00313507/step, 1.37473 hours remaining, 234.246094 MB of memory in use. ENERGY: 3421400 4002.0333 20491.7259 14427.4001 268.9360 -203054.5683 2525.1574 0.0000 0.0000 51902.9877 -109436.3279 298.2872 -161339.3156 -109071.2145 299.3920 1.1607 33.3925 761405.8789 0.5282 0.5321 PRESSURE: 3421600 -288.616 -158.849 -215.054 -158.849 195.37 132.339 -215.054 132.34 -51.5365 GPRESSURE: 3421600 -250.594 -134.356 -153.43 -37.8199 135.63 109.502 -295.161 147.254 39.8358 PRESSAVG: 3421600 -48.6172 -47.4387 -20.3003 -47.4387 -4.92268 56.254 -20.3003 56.254 -1.59372 GPRESSAVG: 3421600 -48.331 -50.1187 -17.8391 -46.7844 -6.19205 56.6521 -21.3228 55.1969 -0.954843 TIMING: 3421600 CPU: 10690, 0.0031323/step Wall: 10690, 0.0031323/step, 1.37334 hours remaining, 234.246094 MB of memory in use. ENERGY: 3421600 4023.1082 20461.0737 14443.4851 256.1060 -203356.7664 2499.3462 0.0000 0.0000 52036.1080 -109637.5392 299.0522 -161673.6472 -109276.4772 299.1028 -48.2607 -25.0427 763043.9075 -18.3779 -18.4926 PRESSURE: 3421800 333.977 -68.2472 197.172 -68.2464 -52.5355 70.1974 197.171 70.1979 3.35114 GPRESSURE: 3421800 298.277 -138.937 178.936 -9.60306 15.1163 80.5421 155.977 129.21 65.9563 PRESSAVG: 3421800 21.7939 -33.7241 15.8361 -33.7242 -29.3044 45.7865 15.8361 45.7865 1.03955 GPRESSAVG: 3421800 20.2037 -33.7015 14.6993 -35.2046 -27.9758 45.4177 17.2738 47.2888 1.88138 TIMING: 3421800 CPU: 10690.6, 0.00311373/step Wall: 10690.6, 0.00311373/step, 1.36502 hours remaining, 234.246094 MB of memory in use. ENERGY: 3421800 3960.2887 20484.9481 14448.5183 256.7018 -203690.9582 3003.3511 0.0000 0.0000 51860.5741 -109676.5761 298.0434 -161537.1503 -109320.9699 298.1312 94.9308 126.4499 763927.8700 -2.1570 -1.9636 PRESSURE: 3422000 118.51 190.657 -323.788 190.658 -106.671 -116.456 -323.788 -116.456 135.413 GPRESSURE: 3422000 201.169 65.1818 -216.144 149.501 -87.6383 -191.481 -371.21 -73.8544 123.435 PRESSAVG: 3422000 -0.0805186 -5.07036 -54.9038 -5.07035 -46.125 -35.1967 -54.9038 -35.1967 -5.65605 GPRESSAVG: 3422000 1.29584 -5.55218 -56.07 -4.82086 -45.7214 -35.8207 -55.7657 -35.2005 -7.21393 TIMING: 3422000 CPU: 10691.2, 0.00311694/step Wall: 10691.2, 0.00311694/step, 1.36626 hours remaining, 234.246094 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: 3422000 4057.1952 20229.8985 14392.1564 254.3923 -203790.7251 3018.8009 0.0000 0.0000 51952.8130 -109885.4686 298.5735 -161838.2817 -109517.9798 298.2299 49.0840 78.9887 762933.1617 -17.2872 -17.2132 PRESSURE: 3422200 -33.0636 -38.7149 -7.00624 -38.7144 131.955 -2.47766 -7.00533 -2.47804 17.0089 GPRESSURE: 3422200 -85.7858 -107.704 41.2857 -79.7584 240.822 -99.7175 -52.0979 -1.4138 64.6537 PRESSAVG: 3422200 3.5345 0.789052 -53.5625 0.789034 -72.0721 -39.7096 -53.5624 -39.7095 -1.18498 GPRESSAVG: 3422200 2.66446 1.68813 -53.2779 0.595455 -71.9788 -40.3303 -54.3454 -39.2352 -0.515407 TIMING: 3422200 CPU: 10691.9, 0.00313043/step Wall: 10691.9, 0.00313043/step, 1.372 hours remaining, 234.246094 MB of memory in use. ENERGY: 3422200 3876.9412 20558.4283 14366.5941 251.7148 -203473.8511 2674.6318 0.0000 0.0000 51862.6642 -109882.8766 298.0554 -161745.5408 -109520.4830 298.0486 38.6334 73.2299 763124.8357 -23.2409 -23.2766 PRESSURE: 3422400 -153.877 -19.2885 -215.868 -19.2885 134.487 -27.2417 -215.868 -27.2427 -283.855 GPRESSURE: 3422400 -104.818 -33.7497 -237.019 74.3268 154.095 -4.6357 -242.221 -86.9841 -283.234 PRESSAVG: 3422400 -47.3485 -19.0262 -29.6581 -19.0262 -8.08087 49.7685 -29.6581 49.7685 -4.9143 GPRESSAVG: 3422400 -46.9549 -20.4094 -29.4744 -18.0809 -8.61588 50.2565 -30.1218 49.7848 -4.51557 TIMING: 3422400 CPU: 10692.5, 0.00312152/step Wall: 10692.5, 0.00312152/step, 1.36792 hours remaining, 234.246094 MB of memory in use. ENERGY: 3422400 3924.6548 20470.7316 14358.0701 241.0849 -203643.6364 2695.5115 0.0000 0.0000 52190.6396 -109762.9438 299.9403 -161953.5834 -109415.3224 298.7295 -101.0817 -77.9857 761661.1300 -20.1146 -20.0288 PRESSURE: 3422600 190.648 -87.2618 56.3752 -87.2621 -170.363 42.3785 56.3759 42.3788 353.671 GPRESSURE: 3422600 182.625 62.7332 -5.25111 -158.833 -60.1885 65.1713 88.6937 46.7135 322.582 PRESSAVG: 3422600 -2.65536 -27.2508 -31.247 -27.2508 18.6789 23.3118 -31.247 23.3117 -11.6427 GPRESSAVG: 3422600 -1.77704 -24.7845 -30.6135 -29.0105 18.7763 23.2442 -29.3753 24.0489 -11.8347 TIMING: 3422600 CPU: 10693.1, 0.00310942/step Wall: 10693.1, 0.00310942/step, 1.36244 hours remaining, 234.246094 MB of memory in use. ENERGY: 3422600 4001.4704 20555.8887 14336.8440 238.9883 -203724.0141 2889.8995 0.0000 0.0000 51580.3284 -110120.5947 296.4329 -161700.9231 -109756.7459 298.1326 124.6521 148.3393 763081.4654 1.4603 1.7215 PRESSURE: 3422800 -369.377 90.8026 143.099 90.8029 -283.197 197.803 143.099 197.802 39.8002 GPRESSURE: 3422800 -419.419 102.83 68.2773 62.8298 -236.853 203.522 158.623 22.1275 129.019 PRESSAVG: 3422800 -10.9976 -41.5704 -63.0195 -41.5704 16.6122 32.4702 -63.0194 32.4702 12.7961 GPRESSAVG: 3422800 -11.3975 -43.6616 -62.3674 -41.3246 17.0777 32.946 -65.2563 31.0863 12.8524 TIMING: 3422800 CPU: 10693.7, 0.00312274/step Wall: 10693.7, 0.00312274/step, 1.36811 hours remaining, 234.246094 MB of memory in use. ENERGY: 3422800 3984.9271 20418.0605 14466.8505 264.5656 -203739.4163 2721.2362 0.0000 0.0000 51805.3145 -110078.4619 297.7259 -161883.7764 -109730.0773 298.1123 -204.2580 -175.7510 764449.2087 6.1369 6.1775 PRESSURE: 3423000 32.8118 43.427 55.9735 43.4267 -124.001 -8.0867 55.9735 -8.08685 -349.782 GPRESSURE: 3423000 38.5189 -89.5871 31.4051 -19.5046 -43.2876 -124.214 -45.1465 207.251 -347.576 PRESSAVG: 3423000 -28.7043 55.9444 -22.0486 55.9444 22.9334 -35.1853 -22.0486 -35.1853 -11.724 GPRESSAVG: 3423000 -29.221 56.5646 -23.654 56.2077 22.3635 -36.8493 -21.4473 -32.8675 -10.9691 TIMING: 3423000 CPU: 10694.4, 0.00313578/step Wall: 10694.4, 0.00313578/step, 1.37365 hours remaining, 234.246094 MB of memory in use. ENERGY: 3423000 3991.1792 20372.4433 14357.0371 238.0066 -203350.6292 2427.6908 0.0000 0.0000 51898.7065 -110065.5657 298.2626 -161964.2722 -109709.9796 297.8016 -146.9906 -117.4483 763680.6148 -5.8316 -5.9422 PRESSURE: 3423200 84.019 11.8792 -198.457 11.8785 150.373 192.829 -198.457 192.829 -535.928 GPRESSURE: 3423200 151.735 32.5042 -174.015 94.682 112.924 165.451 -101.818 72.1211 -498.424 PRESSAVG: 3423200 -6.8751 38.429 -40.7574 38.4291 -8.78609 33.0604 -40.7574 33.0604 11.9493 GPRESSAVG: 3423200 -6.33565 39.3525 -42.6843 38.8779 -9.02443 33.8472 -39.0331 30.5631 11.4169 TIMING: 3423200 CPU: 10695, 0.00312537/step Wall: 10695, 0.00312537/step, 1.36891 hours remaining, 234.246094 MB of memory in use. ENERGY: 3423200 4024.8512 20303.8426 14347.4904 249.8252 -203679.3132 2872.6988 0.0000 0.0000 51881.0519 -109999.5531 298.1611 -161880.6050 -109638.3095 297.4447 -100.5121 -77.9217 762364.2255 -1.2373 -1.3144 PRESSURE: 3423400 225.603 -69.3508 -326.365 -69.3507 28.6673 201.211 -326.365 201.211 5.19405 GPRESSURE: 3423400 283.162 28.2773 -286.777 -47.2472 55.4066 148.025 -234.54 98.3991 3.41049 PRESSAVG: 3423400 -11.9986 10.3895 -47.8296 10.3895 34.0979 22.8583 -47.8296 22.8583 29.1731 GPRESSAVG: 3423400 -12.6736 9.13139 -45.3492 8.5083 34.3726 23.315 -48.6872 22.8419 29.6475 TIMING: 3423400 CPU: 10695.6, 0.00312499/step Wall: 10695.6, 0.00312499/step, 1.36857 hours remaining, 234.246094 MB of memory in use. ENERGY: 3423400 4015.4997 20391.2409 14346.7006 259.5448 -203805.2813 2754.5411 0.0000 0.0000 51901.0940 -110136.6602 298.2763 -162037.7542 -109783.7500 297.7396 86.4882 113.9930 760039.0638 17.0908 17.1155 PRESSURE: 3423600 -180.232 -236.916 82.4985 -236.916 121.038 -102.779 82.4984 -102.778 219.036 GPRESSURE: 3423600 -3.57186 -304.374 137.563 -264.578 23.4398 -67.3612 -6.86682 23.1644 235.919 PRESSAVG: 3423600 -11.9158 12.8247 -22.9033 12.8247 6.55606 27.2245 -22.9032 27.2245 7.20341 GPRESSAVG: 3423600 -11.2188 12.1379 -24.2889 13.1635 7.26888 28.6011 -23.3547 26.8382 5.88002 TIMING: 3423600 CPU: 10696.2, 0.00313805/step Wall: 10696.2, 0.00313805/step, 1.37412 hours remaining, 234.246094 MB of memory in use. ENERGY: 3423600 3879.0147 20446.9202 14292.6017 228.9569 -203512.5191 2663.6540 0.0000 0.0000 52037.1135 -109964.2580 299.0580 -162001.3715 -109603.5535 297.7286 53.2805 85.2622 761128.2991 0.6145 0.6434 PRESSURE: 3423800 -141.097 -72.0289 -253.263 -72.029 -360.902 -113.421 -253.264 -113.421 -15.0152 GPRESSURE: 3423800 -90.9322 -62.9529 -253.854 -88.9571 -396.66 -52.0958 -116.095 -182.97 50.6184 PRESSAVG: 3423800 0.543921 5.37548 23.3406 5.37548 6.9398 10.4661 23.3406 10.4661 -1.92431 GPRESSAVG: 3423800 1.19922 7.09933 22.754 4.55191 4.6426 8.8552 22.546 12.3239 -0.629396 TIMING: 3423800 CPU: 10696.9, 0.00313481/step Wall: 10696.9, 0.00313481/step, 1.37252 hours remaining, 234.246094 MB of memory in use. ENERGY: 3423800 3995.3819 20432.0198 14358.1915 247.3432 -203280.3193 2613.1819 0.0000 0.0000 51791.4600 -109842.7411 297.6462 -161634.2011 -109480.2424 297.5333 -172.3382 -145.6581 762366.7625 1.8531 1.7375 PRESSURE: 3424000 36.243 -23.5901 -217.578 -23.5908 3.44436 -25.4976 -217.579 -25.4988 103.462 GPRESSURE: 3424000 111.642 29.6481 -183.162 -34.9519 54.4986 -81.6315 -68.6579 70.2695 54.7755 PRESSAVG: 3424000 69.2956 -43.7214 -37.6683 -43.7214 -90.6241 -30.2234 -37.6683 -30.2233 -2.55623 GPRESSAVG: 3424000 68.8283 -45.9492 -37.4566 -42.3924 -88.4665 -29.7934 -35.4909 -30.519 -4.61772 TIMING: 3424000 CPU: 10697.5, 0.00313615/step Wall: 10697.5, 0.00313615/step, 1.37294 hours remaining, 234.246094 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: 3424000 4001.9026 20463.8669 14393.3103 244.4556 -203889.6338 2906.0237 0.0000 0.0000 52149.4927 -109730.5820 299.7039 -161880.0747 -109366.0289 298.3655 47.7165 73.6387 761292.5491 -7.9616 -8.0853 PRESSURE: 3424200 81.9281 -122.186 -80.7005 -122.186 348.205 -101.665 -80.7013 -101.666 121.849 GPRESSURE: 3424200 27.4168 -125.069 -29.4077 -136.96 434.467 -144.498 -43.7771 -8.37832 170.36 PRESSAVG: 3424200 -25.6649 -35.7465 -24.7868 -35.7465 13.9666 45.3539 -24.7868 45.3539 2.66173 GPRESSAVG: 3424200 -26.6378 -35.4974 -24.6433 -34.1368 13.2507 46.3225 -24.9818 45.297 3.58275 TIMING: 3424200 CPU: 10698.1, 0.00312579/step Wall: 10698.1, 0.00312579/step, 1.36823 hours remaining, 234.246094 MB of memory in use. ENERGY: 3424200 3966.8334 20487.4435 14372.3980 254.5597 -203475.7556 2745.4633 0.0000 0.0000 51782.6471 -109866.4106 297.5956 -161649.0577 -109510.0864 298.0654 183.9939 210.7477 761716.2694 -3.0122 -3.2681 LDB: ============= START OF LOAD BALANCING ============== 10710.6 LDB: ============== END OF LOAD BALANCING =============== 10710.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10710.6 LDB: ============= START OF LOAD BALANCING ============== 10710.9 LDB: Largest compute 7068 load 0.029302 is 15.0% of average load 0.195232 LDB: Average compute 0.004381 is 2.2% of average load 0.195232 LDB: TIME 10710.9 LOAD: AVG 0.195232 MAX 0.2157 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.051 MB LDB: TIME 10710.9 LOAD: AVG 0.195232 MAX 0.2157 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.219 MB LDB: TIME 10710.9 LOAD: AVG 0.195232 MAX 0.2157 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.219 MB LDB: ============== END OF LOAD BALANCING =============== 10710.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10710.9 PRESSURE: 3424400 -52.7878 -145.645 221.225 -145.644 -78.3177 32.3715 221.226 32.3712 617.485 GPRESSURE: 3424400 -56.2778 -179.24 278.367 -205.53 -25.8122 6.54717 225.709 16.3911 616.464 PRESSAVG: 3424400 3.50959 -25.9411 44.1244 -25.9411 18.4036 30.6913 44.1244 30.6914 -22.4984 GPRESSAVG: 3424400 3.50308 -23.9127 44.0218 -28.7604 17.2384 28.01 42.4408 29.8525 -21.6201 TIMING: 3424400 CPU: 10698.8, 0.00320605/step Wall: 10698.8, 0.00320605/step, 1.40318 hours remaining, 234.820312 MB of memory in use. ENERGY: 3424400 4031.5866 20226.7720 14394.4034 238.4809 -203481.3279 2881.6313 0.0000 0.0000 51898.7654 -109809.6883 298.2629 -161708.4537 -109436.2264 297.7731 162.1264 178.1245 761261.2006 -0.1951 -0.2929 PRESSURE: 3424600 281.556 -51.0395 -15.3844 -51.0398 -182.434 -39.7516 -15.3843 -39.7506 109.944 GPRESSURE: 3424600 317.914 -38.6002 -69.5258 -32.6213 -104.788 -148.548 25.2423 45.3461 105.533 PRESSAVG: 3424600 22.2281 -41.8037 22.004 -41.8038 -19.4538 -17.9382 22.004 -17.9382 23.6615 GPRESSAVG: 3424600 22.6431 -43.6149 22.1091 -38.9849 -18.8446 -17.0524 24.4527 -16.0631 22.4455 TIMING: 3424600 CPU: 10699.4, 0.00314662/step Wall: 10699.4, 0.00314662/step, 1.37699 hours remaining, 234.820312 MB of memory in use. ENERGY: 3424600 3977.9843 20317.4841 14390.3182 219.5724 -203496.4177 2908.2743 0.0000 0.0000 51782.2718 -109900.5125 297.5934 -161682.7843 -109545.7646 298.0846 69.6886 106.2195 761644.7078 8.8119 8.7480 PRESSURE: 3424800 -138.13 -72.0787 -305.749 -72.0786 -75.408 156.668 -305.749 156.67 -41.9805 GPRESSURE: 3424800 -109.261 -9.1927 -322.343 98.0312 -51.7863 152.12 -301.367 163.438 -12.1145 PRESSAVG: 3424800 45.3498 -17.1504 41.6682 -17.1504 -31.1512 -7.15942 41.6682 -7.15948 -4.68301 GPRESSAVG: 3424800 45.0827 -17.6212 42.3797 -20.8623 -31.5262 -7.92828 38.1507 -8.96163 -3.83373 TIMING: 3424800 CPU: 10700, 0.00312646/step Wall: 10700, 0.00312646/step, 1.368 hours remaining, 234.820312 MB of memory in use. ENERGY: 3424800 3911.9873 20383.7489 14484.4461 241.9654 -203511.5044 2683.5737 0.0000 0.0000 51814.0388 -109991.7444 297.7760 -161805.7831 -109630.8053 297.8507 -85.1729 -57.7205 761793.5967 3.1719 3.2409 PRESSURE: 3425000 -42.223 109.807 -113.915 109.807 36.2918 79.6701 -113.915 79.6697 662.099 GPRESSURE: 3425000 -57.3031 125.773 -129.797 78.2586 36.0665 2.0925 -84.9219 53.2979 746.189 PRESSAVG: 3425000 0.415479 10.9839 10.6974 10.9839 -3.06025 3.25 10.6974 3.25005 -21.2579 GPRESSAVG: 3425000 0.398665 14.9147 9.29628 11.9694 -2.91335 4.62085 14.5983 4.87308 -22.0611 TIMING: 3425000 CPU: 10700.6, 0.00312297/step Wall: 10700.6, 0.00312297/step, 1.3663 hours remaining, 234.820312 MB of memory in use. ENERGY: 3425000 3904.0576 20392.2527 14428.5543 237.1621 -203647.8560 2819.0516 0.0000 0.0000 52060.5070 -109806.2706 299.1924 -161866.7776 -109448.8369 297.6658 218.7226 241.6508 761710.6724 -7.9676 -8.1919 PRESSURE: 3425200 126.035 7.8513 -146.66 7.85103 -108.237 149.799 -146.66 149.8 -349.278 GPRESSURE: 3425200 115.079 -6.53266 -119.06 58.5453 -58.3352 159.405 -201.251 49.5469 -290.067 PRESSAVG: 3425200 16.4948 -72.1985 -8.20061 -72.1986 -19.2529 15.9515 -8.20059 15.9514 22.0024 GPRESSAVG: 3425200 17.1374 -77.9153 -6.71342 -72.5722 -20.5325 15.9056 -9.82395 14.9474 22.8159 TIMING: 3425200 CPU: 10701.3, 0.0031394/step Wall: 10701.3, 0.0031394/step, 1.37331 hours remaining, 234.820312 MB of memory in use. ENERGY: 3425200 3968.3170 20376.0673 14421.1060 238.8619 -203179.5469 2376.2894 0.0000 0.0000 51927.0799 -109871.8255 298.4256 -161798.9053 -109510.6810 298.0751 -110.4933 -77.7742 762033.9305 6.4148 6.4736 PRESSURE: 3425400 148.464 165.294 37.9029 165.294 20.1879 -116.479 37.9029 -116.48 330.298 GPRESSURE: 3425400 118.601 156.731 57.3402 178.022 35.36 -97.975 26.2322 -61.6061 428.336 PRESSAVG: 3425400 25.2312 -62.6909 -51.2334 -62.6909 -43.5581 26.4976 -51.2334 26.4976 27.674 GPRESSAVG: 3425400 24.9567 -59.4053 -53.0312 -62.8993 -43.2243 26.7295 -50.5022 26.2166 27.281 TIMING: 3425400 CPU: 10701.9, 0.00315691/step Wall: 10701.9, 0.00315691/step, 1.3808 hours remaining, 234.820312 MB of memory in use. ENERGY: 3425400 3933.2899 20408.7302 14384.1364 245.7117 -203200.3041 2593.3323 0.0000 0.0000 51894.9232 -109740.1803 298.2408 -161635.1036 -109388.0266 297.6873 166.3166 194.0992 762094.4730 3.1157 3.0045 PRESSURE: 3425600 82.2672 -249.995 188.641 -249.996 -194.991 -43.1602 188.64 -43.1598 249.2 GPRESSURE: 3425600 114.071 -297.936 151.984 -173.332 -106.622 45.6014 140.506 -90.3504 201.526 PRESSAVG: 3425600 -25.7553 -1.72172 1.90188 -1.72172 -26.0184 5.56086 1.90193 5.56092 4.9069 GPRESSAVG: 3425600 -25.3386 -1.41282 2.16567 0.240063 -24.1987 6.43016 0.0409207 4.40406 3.12683 TIMING: 3425600 CPU: 10702.5, 0.00312581/step Wall: 10702.5, 0.00312581/step, 1.36702 hours remaining, 234.820312 MB of memory in use. ENERGY: 3425600 3981.0754 20304.1025 14514.4869 240.3162 -203576.7363 2938.8948 0.0000 0.0000 51730.5236 -109867.3369 297.2960 -161597.8605 -109518.9201 297.9344 45.4921 69.6586 762897.2277 -15.6222 -15.4702 PRESSURE: 3425800 257.585 -100.699 -33.1191 -100.699 -3.82481 -303.015 -33.1177 -303.015 239.14 GPRESSURE: 3425800 263.277 -157.039 -64.8695 -122.832 29.9564 -298.816 -9.28794 -302.385 290.569 PRESSAVG: 3425800 26.4058 7.3992 9.74053 7.39922 -12.9292 -21.5482 9.74046 -21.5483 -2.01899 GPRESSAVG: 3425800 25.3325 5.30951 10.529 7.22801 -13.8164 -23.2766 9.87856 -17.9939 -0.13961 TIMING: 3425800 CPU: 10703.1, 0.00312542/step Wall: 10703.1, 0.00312542/step, 1.36668 hours remaining, 234.820312 MB of memory in use. ENERGY: 3425800 3969.3766 20518.6655 14451.7540 246.2043 -203585.1542 2654.8760 0.0000 0.0000 52008.7688 -109735.5091 298.8951 -161744.2779 -109373.0630 298.2151 164.3003 194.6010 761181.3220 3.8192 3.7922 PRESSURE: 3426000 240.067 -55.644 132.576 -55.6435 214.893 3.18157 132.576 3.17978 -175.138 GPRESSURE: 3426000 278.273 30.7286 85.9204 13.4977 185.1 34.4971 180.294 44.6051 -90.2921 PRESSAVG: 3426000 39.0332 -29.6574 -19.9883 -29.6574 -5.3507 -51.1676 -19.9883 -51.1676 20.5129 GPRESSAVG: 3426000 38.7146 -27.8865 -19.0177 -30.6778 -5.77845 -51.2296 -20.3182 -52.2632 21.3217 TIMING: 3426000 CPU: 10703.8, 0.00312375/step Wall: 10703.8, 0.00312374/step, 1.36577 hours remaining, 234.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3426000 3958.4087 20621.2942 14452.3717 247.5163 -203672.9290 2846.7071 0.0000 0.0000 51745.9564 -109800.6747 297.3847 -161546.6311 -109449.3836 298.1185 93.2741 124.3603 760125.7972 18.0651 18.0859 PRESSURE: 3426200 -20.9974 -2.15871 90.7113 -2.15953 -61.6315 269.963 90.7112 269.962 -177.448 GPRESSURE: 3426200 35.4572 36.8189 97.1788 33.5456 -16.5502 228.174 -26.4587 246.789 -182.733 PRESSAVG: 3426200 3.26713 -4.53127 -62.171 -4.53127 -54.8543 5.17589 -62.171 5.17605 -22.3326 GPRESSAVG: 3426200 5.15136 -5.04095 -63.5455 -3.60152 -55.7201 3.66851 -61.1109 4.14019 -23.5045 TIMING: 3426200 CPU: 10704.4, 0.00313725/step Wall: 10704.4, 0.00313725/step, 1.3715 hours remaining, 234.820312 MB of memory in use. ENERGY: 3426200 4030.9851 20354.7540 14446.9694 237.1124 -203628.1994 2815.0316 0.0000 0.0000 51932.2978 -109811.0492 298.4556 -161743.3470 -109459.9183 297.8610 -86.6921 -54.6087 761760.4114 -24.6399 -24.6911 PRESSURE: 3426400 -254.563 2.99477 -17.4034 2.99458 -94.1244 194.695 -17.4033 194.695 -103.777 GPRESSURE: 3426400 -254.703 87.3101 -48.3665 -88.7476 -20.0136 199.195 -66.9009 86.8516 -89.9914 PRESSAVG: 3426400 2.1281 -20.5962 2.03565 -20.5962 -26.5601 17.6813 2.03568 17.6812 9.18802 GPRESSAVG: 3426400 0.0655206 -19.8434 1.85775 -21.7178 -24.9393 19.8078 1.96027 16.9129 9.32083 TIMING: 3426400 CPU: 10705, 0.00316732/step Wall: 10705, 0.00316732/step, 1.38447 hours remaining, 234.820312 MB of memory in use. ENERGY: 3426400 4009.3639 20545.0948 14417.6548 244.8061 -203449.3382 2785.4508 0.0000 0.0000 51711.2590 -109735.7089 297.1853 -161446.9679 -109378.9373 298.7212 -150.8214 -121.5695 762185.0890 -5.0813 -5.1843 PRESSURE: 3426600 -102.646 -50.0262 -143.737 -50.0252 -424.826 -9.74752 -143.737 -9.74825 62.1565 GPRESSURE: 3426600 -156.887 -84.2789 -206.15 -101.382 -323.694 5.27167 -78.2526 55.9184 94.11 PRESSAVG: 3426600 12.0403 8.22901 -2.41752 8.22901 16.4401 -5.79292 -2.4175 -5.79293 -13.0658 GPRESSAVG: 3426600 13.091 5.49669 -3.37789 10.8882 14.7968 -5.958 -1.13011 -4.13631 -12.629 TIMING: 3426600 CPU: 10705.7, 0.0031303/step Wall: 10705.7, 0.0031303/step, 1.36812 hours remaining, 234.820312 MB of memory in use. ENERGY: 3426600 3958.1200 20603.0003 14415.9735 230.4868 -203768.3253 2752.4924 0.0000 0.0000 52045.8772 -109762.3749 299.1084 -161808.2522 -109413.5936 298.6078 -155.1051 -128.8238 760425.0723 5.1382 5.0863 PRESSURE: 3426800 -434.169 -11.8071 128.638 -11.8068 181.404 -46.1293 128.637 -46.1284 -346.012 GPRESSURE: 3426800 -358.208 35.1672 94.739 -159.72 211.138 -63.418 187.731 9.61069 -358.577 PRESSAVG: 3426800 -21.1425 -5.12105 45.1755 -5.12099 47.3448 1.24198 45.1755 1.24205 5.82978 GPRESSAVG: 3426800 -21.5565 -2.0981 46.0542 -7.46271 48.17 1.29442 43.4431 1.1603 5.025 TIMING: 3426800 CPU: 10706.3, 0.00313326/step Wall: 10706.3, 0.00313326/step, 1.36923 hours remaining, 234.820312 MB of memory in use. ENERGY: 3426800 4060.2535 20371.0240 14431.4541 243.4416 -203577.5809 2778.6969 0.0000 0.0000 51903.5107 -109789.2001 298.2902 -161692.7108 -109430.4023 298.2132 -199.5923 -168.5491 762201.2470 10.6773 10.5462 PRESSURE: 3427000 88.6047 64.2134 48.0107 64.2133 220.268 147.764 48.0115 147.766 106.82 GPRESSURE: 3427000 92.5283 186.087 63.3956 47.1574 308.27 209.745 -16.7238 93.1239 102.276 PRESSAVG: 3427000 72.9229 1.29999 32.3532 1.29997 -4.70395 -41.2767 32.3532 -41.2768 -8.67321 GPRESSAVG: 3427000 71.8611 -2.10815 32.5385 1.51854 -4.54342 -41.7159 32.1051 -42.0943 -8.0357 TIMING: 3427000 CPU: 10706.9, 0.0031212/step Wall: 10706.9, 0.0031212/step, 1.36379 hours remaining, 234.820312 MB of memory in use. ENERGY: 3427000 4019.8076 20580.0986 14396.6477 230.2887 -203905.9343 3206.9429 0.0000 0.0000 51805.2688 -109666.8801 297.7256 -161472.1489 -109314.9426 298.1566 138.5645 167.6913 761642.5804 19.8486 19.7607 PRESSURE: 3427200 -66.4993 121.68 194.15 121.679 -391.961 -185.751 194.15 -185.75 -178.237 GPRESSURE: 3427200 -91.0474 154.267 231.172 58.6628 -268.359 -280.904 146.883 -166.189 -185.811 PRESSAVG: 3427200 -33.0592 -53.8023 51.4315 -53.8023 26.1863 7.03595 51.4315 7.0359 23.1389 GPRESSAVG: 3427200 -30.9829 -52.3546 51.5418 -53.5038 25.5937 7.01583 52.5635 7.85316 21.6837 TIMING: 3427200 CPU: 10707.5, 0.00312797/step Wall: 10707.5, 0.00312797/step, 1.36658 hours remaining, 234.820312 MB of memory in use. ENERGY: 3427200 3988.7072 20522.9044 14439.1227 246.3529 -203217.8417 2493.2358 0.0000 0.0000 51798.0228 -109729.4958 297.6839 -161527.5187 -109368.0967 297.7237 -212.2322 -181.7391 762770.9284 5.4220 5.4315 PRESSURE: 3427400 -304.806 164.423 117.284 164.423 -242.366 69.4193 117.283 69.4201 -296.311 GPRESSURE: 3427400 -258.137 53.9636 100.888 86.052 -233.488 76.7774 63.7734 72.2414 -257.445 PRESSAVG: 3427400 -46.8225 -20.2804 0.981271 -20.2805 26.9756 15.6425 0.981373 15.6424 -17.103 GPRESSAVG: 3427400 -47.5478 -19.8419 2.44692 -20.7096 27.3284 16.5383 0.0304508 15.1939 -16.1889 TIMING: 3427400 CPU: 10708.2, 0.00313251/step Wall: 10708.2, 0.00313251/step, 1.36838 hours remaining, 234.820312 MB of memory in use. ENERGY: 3427400 4037.7898 20301.7630 14429.9879 240.4944 -203563.4788 2832.2128 0.0000 0.0000 51971.0999 -109750.1310 298.6786 -161721.2309 -109393.0224 298.7018 -281.1610 -249.6899 762624.7603 -12.3166 -12.1361 PRESSURE: 3427600 -31.1481 -51.3611 -251.63 -51.361 -115.196 -78.9171 -251.63 -78.9166 -100.662 GPRESSURE: 3427600 58.6227 -252.128 -226.698 -75.0415 -100.343 -17.9555 -185.53 -204.539 -114.994 PRESSAVG: 3427600 -37.6702 -12.6723 -26.2309 -12.6723 39.4453 23.2349 -26.231 23.2348 -3.38107 GPRESSAVG: 3427600 -37.074 -12.0959 -27.2557 -12.421 39.6763 22.5853 -26.3404 22.6156 -4.49637 TIMING: 3427600 CPU: 10708.8, 0.00314455/step Wall: 10708.8, 0.00314455/step, 1.37347 hours remaining, 234.820312 MB of memory in use. ENERGY: 3427600 4014.8862 20515.5450 14467.3036 247.6981 -203655.1750 2674.7393 0.0000 0.0000 52061.8568 -109673.1461 299.2002 -161735.0028 -109310.7852 298.4416 -82.3355 -52.2382 762044.1660 -0.5353 -0.6313 PRESSURE: 3427800 -305.671 -182.771 -60.423 -182.77 402.333 -12.2661 -60.4233 -12.2656 -246.139 GPRESSURE: 3427800 -321.79 -125.456 20.585 -141.189 410.041 -5.12104 -129.03 -143.574 -150.977 PRESSAVG: 3427800 -6.33429 -31.18 -29.582 -31.18 27.6134 -9.22514 -29.582 -9.2252 -11.5616 GPRESSAVG: 3427800 -7.30503 -31.5708 -30.8229 -28.3585 26.8954 -7.80316 -29.4418 -9.64153 -9.74824 TIMING: 3427800 CPU: 10709.4, 0.0031211/step Wall: 10709.4, 0.0031211/step, 1.36305 hours remaining, 234.820312 MB of memory in use. ENERGY: 3427800 4009.6201 20355.3437 14458.0750 248.0212 -203260.8231 2773.5314 0.0000 0.0000 51827.7674 -109588.4643 297.8549 -161416.2317 -109222.0500 298.4078 -49.8256 -20.9086 762551.6959 3.2391 3.2807 PRESSURE: 3428000 131.693 -1.82416 7.28554 -1.82384 -13.4258 328.877 7.28579 328.877 104.45 GPRESSURE: 3428000 150.692 85.896 -17.5734 -46.9661 33.9109 334.75 124.321 253.481 103.775 PRESSAVG: 3428000 7.41126 -3.28495 -13.3619 -3.28503 -31.706 -27.8207 -13.3619 -27.8208 5.14137 GPRESSAVG: 3428000 8.15118 -2.21013 -11.9702 -5.19009 -31.9694 -28.125 -15.0698 -26.6837 3.91593 TIMING: 3428000 CPU: 10710, 0.0031193/step Wall: 10710, 0.0031193/step, 1.36209 hours remaining, 234.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3428000 4018.2081 20337.1972 14428.3896 247.2971 -203615.9176 2804.5335 0.0000 0.0000 52152.7772 -109627.5148 299.7227 -161780.2921 -109276.8458 298.4346 74.2392 96.1260 761434.9127 -6.3845 -6.6341 PRESSURE: 3428200 126.495 5.30798 -104.208 5.30749 -53.5758 25.4709 -104.209 25.471 75.634 GPRESSURE: 3428200 201.032 -88.1025 -66.8262 -86.9572 -14.3084 0.565187 -41.2648 -40.3537 63.2734 PRESSAVG: 3428200 13.8223 -98.464 -3.71857 -98.4639 11.1708 -40.1604 -3.71852 -40.1604 -1.50005 GPRESSAVG: 3428200 11.8002 -101.692 -5.7509 -99.8388 12.6374 -41.8484 0.290151 -39.2109 -0.405426 TIMING: 3428200 CPU: 10710.7, 0.00312228/step Wall: 10710.7, 0.00312228/step, 1.36322 hours remaining, 234.820312 MB of memory in use. ENERGY: 3428200 4045.9963 20621.0351 14445.6915 249.6140 -203572.3139 2632.7932 0.0000 0.0000 51891.0646 -109686.1193 298.2187 -161577.1838 -109327.3365 298.4421 49.5176 83.3322 761251.2509 7.8310 8.0107 LDB: ============= START OF LOAD BALANCING ============== 10723.1 LDB: ============== END OF LOAD BALANCING =============== 10723.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10723.1 LDB: ============= START OF LOAD BALANCING ============== 10723.5 LDB: Largest compute 7007 load 0.030426 is 15.6% of average load 0.195172 LDB: Average compute 0.004393 is 2.3% of average load 0.195172 LDB: TIME 10723.5 LOAD: AVG 0.195172 MAX 0.214721 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.105 MB LDB: TIME 10723.5 LOAD: AVG 0.195172 MAX 0.214721 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.305 MB LDB: TIME 10723.5 LOAD: AVG 0.195172 MAX 0.214721 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.305 MB LDB: ============== END OF LOAD BALANCING =============== 10723.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10723.5 PRESSURE: 3428400 -183.07 -88.0097 -150.541 -88.0099 65.4249 162.256 -150.541 162.256 -83.8506 GPRESSURE: 3428400 -57.9979 -94.8432 -143.156 -97.8547 73.5737 167.723 -37.7002 36.5976 -133.641 PRESSAVG: 3428400 -66.5857 -63.5074 3.19292 -63.5075 52.1894 3.96625 3.19291 3.9662 -17.2328 GPRESSAVG: 3428400 -64.459 -61.6859 6.19078 -64.4232 50.8849 3.76668 0.992313 3.45358 -18.2968 TIMING: 3428400 CPU: 10711.3, 0.00320462/step Wall: 10711.3, 0.00320462/step, 1.399 hours remaining, 235.910156 MB of memory in use. ENERGY: 3428400 3917.8370 20504.4317 14370.2410 236.2724 -203564.3002 2645.8129 0.0000 0.0000 52140.6220 -109749.0832 299.6529 -161889.7052 -109377.3255 298.6661 -67.1651 -39.3552 760434.8443 -10.5431 -10.6236 PRESSURE: 3428600 -221.184 -284.047 -279.585 -284.049 -164.504 14.0157 -279.585 14.0155 274.861 GPRESSURE: 3428600 -178.002 -280.602 -183.185 -212.724 -104.152 -0.143618 -288.785 -60.3994 262.107 PRESSAVG: 3428600 -22.6519 -49.929 55.8929 -49.9289 42.0976 2.64948 55.8929 2.64962 -17.0758 GPRESSAVG: 3428600 -22.2434 -51.547 54.7207 -47.1397 42.6258 3.39985 56.3628 2.45713 -17.6266 TIMING: 3428600 CPU: 10711.9, 0.0031081/step Wall: 10711.9, 0.0031081/step, 1.35668 hours remaining, 235.976562 MB of memory in use. ENERGY: 3428600 4090.7564 20647.1044 14458.8914 230.3670 -203507.1156 2766.3351 0.0000 0.0000 51920.3988 -109393.2626 298.3872 -161313.6614 -109045.5023 299.0342 -36.9421 -6.6825 760242.6295 0.7900 0.9186 PRESSURE: 3428800 151.397 72.4146 -60.0456 72.4154 21.2582 -127.748 -60.0451 -127.748 -9.88503 GPRESSURE: 3428800 111.939 12.2153 -131.761 72.3473 86.3192 -225.72 -5.48396 -66.974 58.8102 PRESSAVG: 3428800 -26.9174 -86.0845 -35.8097 -86.0845 11.6088 -9.76129 -35.8097 -9.76132 5.59328 GPRESSAVG: 3428800 -26.9694 -84.1506 -35.6054 -87.2927 10.9909 -9.85779 -35.0013 -11.5235 5.93403 TIMING: 3428800 CPU: 10712.5, 0.00311975/step Wall: 10712.5, 0.00311975/step, 1.3616 hours remaining, 235.976562 MB of memory in use. ENERGY: 3428800 3969.5947 20407.5406 14370.0721 247.5458 -202919.8599 2352.3946 0.0000 0.0000 51998.6311 -109574.0810 298.8368 -161572.7120 -109202.7014 299.3458 54.2569 85.6893 760767.9175 -3.2384 -3.3481 PRESSURE: 3429000 -21.8514 77.9614 -171.355 77.9617 -293.364 -181.418 -171.355 -181.417 -245.946 GPRESSURE: 3429000 8.88394 1.55895 -208.936 29.2528 -218.593 -80.2895 76.8322 -99.2178 -267.163 PRESSAVG: 3429000 16.49 -55.5701 -17.6153 -55.5701 -0.894292 -35.2625 -17.6153 -35.2624 7.71207 GPRESSAVG: 3429000 15.9648 -54.7799 -19.0709 -57.311 -0.0738726 -35.2967 -18.7695 -33.832 7.51839 TIMING: 3429000 CPU: 10713.2, 0.0031136/step Wall: 10713.2, 0.0031136/step, 1.35874 hours remaining, 235.976562 MB of memory in use. ENERGY: 3429000 4073.0774 20540.4525 14398.5948 245.7921 -203206.4108 2371.2069 0.0000 0.0000 52072.2496 -109505.0375 299.2599 -161577.2871 -109139.5878 299.1480 -187.0538 -158.9574 760202.5714 7.7693 7.8031 PRESSURE: 3429200 -319.699 -103.946 8.69969 -103.946 -304.056 233.88 8.69908 233.88 105.68 GPRESSURE: 3429200 -208.222 -108.748 -26.3492 -83.5745 -271.227 251.063 -10.9746 163.853 45.7038 PRESSAVG: 3429200 19.0544 -39.4424 28.1724 -39.4424 -33.5103 -16.8284 28.1724 -16.8284 25.4603 GPRESSAVG: 3429200 18.5517 -40.5059 27.1223 -38.189 -32.9885 -16.3513 29.1766 -18.8186 25.2552 TIMING: 3429200 CPU: 10713.8, 0.00312882/step Wall: 10713.8, 0.00312882/step, 1.36521 hours remaining, 235.976562 MB of memory in use. ENERGY: 3429200 4014.3061 20588.8596 14354.2016 258.3140 -202931.3967 2216.9481 0.0000 0.0000 51990.4859 -109508.2815 298.7900 -161498.7674 -109138.2120 299.0327 -172.6919 -144.5818 761721.0579 3.6681 3.6061 PRESSURE: 3429400 -57.958 -127.791 -307.958 -127.791 22.5274 -112.801 -307.958 -112.802 -191.179 GPRESSURE: 3429400 11.7005 -178.887 -251.954 -124.31 17.3737 -21.94 -333.424 -228.375 -175.693 PRESSAVG: 3429400 -23.7809 -33.1564 31.2869 -33.1564 39.4294 -52.5913 31.2869 -52.5913 13.4025 GPRESSAVG: 3429400 -23.3333 -34.3175 33.8952 -31.7177 38.1703 -53.2278 27.364 -51.877 14.9367 TIMING: 3429400 CPU: 10714.4, 0.00311896/step Wall: 10714.4, 0.00311896/step, 1.36073 hours remaining, 235.976562 MB of memory in use. ENERGY: 3429400 3932.7291 20481.9228 14406.5015 240.9881 -203332.8442 2554.6566 0.0000 0.0000 52001.6303 -109714.4158 298.8541 -161716.0461 -109353.8604 298.2665 -75.5364 -48.8728 762317.2105 9.6836 9.9246 PRESSURE: 3429600 -265.247 -1.61504 6.6277 -1.61525 -229.655 2.60297 6.62693 2.60379 -79.0808 GPRESSURE: 3429600 -180.944 67.4575 12.6347 -25.8817 -210.184 -29.9888 -25.3139 26.876 -86.409 PRESSAVG: 3429600 10.8828 -12.7597 -8.07388 -12.7597 -24.5066 -43.6542 -8.07386 -43.6543 -6.13417 GPRESSAVG: 3429600 11.4 -9.41997 -8.92766 -14.5477 -24.0243 -42.3238 -6.11294 -44.5301 -7.21496 TIMING: 3429600 CPU: 10715, 0.00313862/step Wall: 10715, 0.00313862/step, 1.36914 hours remaining, 235.976562 MB of memory in use. ENERGY: 3429600 3975.5966 20542.8602 14417.8986 244.3266 -203351.3957 2337.4495 0.0000 0.0000 52104.8862 -109728.3780 299.4475 -161833.2643 -109357.0315 298.5710 -191.3276 -159.1792 762082.4870 -6.5860 -6.6131 PRESSURE: 3429800 -174.771 171.563 56.8765 171.562 30.8158 -86.3463 56.877 -86.346 307.067 GPRESSURE: 3429800 -4.90465 141.724 88.8417 133.165 3.99846 -146.888 93.0374 17.6628 271.404 PRESSAVG: 3429800 -37.9618 -33.3935 -0.494062 -33.3935 16.6971 -12.4552 -0.494112 -12.4553 0.204365 GPRESSAVG: 3429800 -37.704 -35.8019 -0.876614 -33.1352 16.4673 -13.7232 1.27409 -10.8316 0.611617 TIMING: 3429800 CPU: 10715.7, 0.00313492/step Wall: 10715.7, 0.00313492/step, 1.36735 hours remaining, 235.976562 MB of memory in use. ENERGY: 3429800 4020.9081 20366.5085 14341.2193 270.2364 -203272.7821 2573.6890 0.0000 0.0000 51888.2675 -109811.9532 298.2026 -161700.2207 -109450.1952 298.0618 54.3706 90.1658 759371.0822 -7.0201 -6.8750 PRESSURE: 3430000 -174.732 -33.5195 -243.903 -33.52 155.924 -66.1789 -243.904 -66.1799 172.802 GPRESSURE: 3430000 -68.7089 -48.6607 -314.417 0.743961 157.66 -164.305 -246.679 -159.311 149.663 PRESSAVG: 3430000 5.36522 -43.1157 -42.1 -43.1157 37.7923 -20.5914 -42.1 -20.5914 2.56543 GPRESSAVG: 3430000 6.39059 -43.2468 -43.3832 -43.2997 37.7091 -21.5889 -43.131 -21.501 1.59549 TIMING: 3430000 CPU: 10716.3, 0.00313715/step Wall: 10716.3, 0.00313715/step, 1.36815 hours remaining, 235.976562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3430000 4065.2073 20426.9967 14449.5337 261.3069 -203997.6119 2870.6804 0.0000 0.0000 52287.8490 -109636.0379 300.4990 -161923.8869 -109274.3768 298.6820 51.3312 79.5381 759254.9395 15.2410 15.2317 PRESSURE: 3430200 202.343 -82.9623 -21.4415 -82.9616 454.749 6.20703 -21.4416 6.20655 170.855 GPRESSURE: 3430200 152.348 -105.623 -15.2461 -37.8954 490.709 66.7517 0.10039 -9.2461 265.129 PRESSAVG: 3430200 -1.20788 -20.9957 32.7213 -20.9957 15.3472 -43.8232 32.7213 -43.8232 -3.98712 GPRESSAVG: 3430200 -2.54884 -22.4813 33.3412 -19.1312 15.7285 -42.9475 33.0711 -42.6318 -3.19071 TIMING: 3430200 CPU: 10716.9, 0.00313768/step Wall: 10716.9, 0.00313768/step, 1.3682 hours remaining, 235.976562 MB of memory in use. ENERGY: 3430200 4008.4260 20369.2554 14494.1791 237.2115 -203491.3901 2715.7522 0.0000 0.0000 52017.7181 -109648.8479 298.9465 -161666.5660 -109287.6991 298.7557 275.9824 302.7283 762777.8855 3.3841 3.3296 PRESSURE: 3430400 77.2588 -93.2198 -93.6192 -93.2184 -135.487 133.543 -93.62 133.544 -200.646 GPRESSURE: 3430400 1.26989 -100.323 -4.32718 -78.6793 -49.1835 122.773 -5.66208 108.427 -139.928 PRESSAVG: 3430400 -2.65453 -31.3673 7.14837 -31.3672 20.2108 15.4952 7.14836 15.4952 -6.79333 GPRESSAVG: 3430400 -2.74474 -28.8773 9.09127 -33.4298 20.5668 14.9972 7.70231 14.8936 -6.53636 TIMING: 3430400 CPU: 10717.6, 0.00313295/step Wall: 10717.6, 0.00313295/step, 1.36597 hours remaining, 235.976562 MB of memory in use. ENERGY: 3430400 4076.3016 20528.4996 14448.4601 246.2297 -203757.9256 2817.1617 0.0000 0.0000 52146.4237 -109494.8492 299.6862 -161641.2728 -109145.9326 298.8311 -86.2913 -62.6139 760575.5852 3.5877 3.7619 PRESSURE: 3430600 -129.354 -27.203 120.576 -27.2044 -380.087 -127.87 120.575 -127.87 -281.592 GPRESSURE: 3430600 -141.682 -13.4012 120.235 28.2298 -233.051 -122.886 200.275 -166.786 -324.998 PRESSAVG: 3430600 12.6633 -26.6015 24.7622 -26.6015 -13.8329 -0.665898 24.7622 -0.665923 -10.6155 GPRESSAVG: 3430600 10.5044 -28.4481 23.2755 -25.6278 -12.6134 0.523858 24.5624 0.450947 -9.7164 TIMING: 3430600 CPU: 10718.2, 0.00311583/step Wall: 10718.2, 0.00311583/step, 1.35833 hours remaining, 235.976562 MB of memory in use. ENERGY: 3430600 4050.7213 20677.4620 14387.2723 243.5665 -203330.8244 2559.3937 0.0000 0.0000 51924.7163 -109487.6923 298.4121 -161412.4087 -109127.7692 299.0947 -263.6775 -233.2436 764503.0123 -3.9284 -3.9418 PRESSURE: 3430800 -150.87 -122.808 0.577079 -122.809 471.505 -50.9329 0.576882 -50.9337 497.238 GPRESSURE: 3430800 -55.826 -120.892 -63.3687 -156.432 444.102 -81.6208 -63.611 17.7565 522.211 PRESSAVG: 3430800 -47.1571 -32.4174 -11.0771 -32.4174 59.1803 -12.5361 -11.0771 -12.5362 7.76177 GPRESSAVG: 3430800 -45.0981 -31.7826 -10.2674 -34.7079 58.6969 -14.1764 -13.2656 -12.4338 6.71334 TIMING: 3430800 CPU: 10718.8, 0.00311806/step Wall: 10718.8, 0.00311806/step, 1.35913 hours remaining, 235.976562 MB of memory in use. ENERGY: 3430800 3981.3896 20513.2602 14359.7552 248.0378 -203456.2147 2920.4254 0.0000 0.0000 52089.9118 -109343.4348 299.3614 -161433.3466 -108978.2771 299.2977 272.6243 303.4957 762932.0660 6.5950 6.7707 PRESSURE: 3431000 -444.521 -145.826 -39.1283 -145.827 -449.533 18.0128 -39.1283 18.0138 -230.753 GPRESSURE: 3431000 -410.513 -181.588 -27.6881 -167.296 -428.971 -11.3027 -16.6778 13.596 -211.104 PRESSAVG: 3431000 -33.7204 -15.08 11.7143 -15.0799 32.8974 -59.7829 11.7143 -59.783 22.0563 GPRESSAVG: 3431000 -33.309 -13.5407 10.5388 -13.3497 32.6524 -57.1495 13.2186 -61.3788 22.123 TIMING: 3431000 CPU: 10719.4, 0.00313994/step Wall: 10719.4, 0.00313994/step, 1.36849 hours remaining, 235.976562 MB of memory in use. ENERGY: 3431000 4066.8851 20627.0859 14402.4887 247.0187 -203227.3677 2590.4325 0.0000 0.0000 52182.5868 -109110.8700 299.8940 -161293.4568 -108751.8723 299.4004 -374.9356 -350.1960 763237.0645 7.0778 7.1555 PRESSURE: 3431200 -138.268 -78.7313 1.02862 -78.7318 383.961 132.538 1.03024 132.538 -276.604 GPRESSURE: 3431200 -156.047 -199.764 -25.8818 -141.325 396.231 129.445 6.74322 40.9998 -179.216 PRESSAVG: 3431200 19.2718 -44.5093 -12.5503 -44.5093 -41.5467 -25.0232 -12.5502 -25.0231 -12.4314 GPRESSAVG: 3431200 19.1065 -44.9859 -12.5433 -43.6944 -41.5997 -26.2345 -11.6492 -24.8865 -12.088 TIMING: 3431200 CPU: 10720.1, 0.0031352/step Wall: 10720.1, 0.00313519/step, 1.36625 hours remaining, 235.976562 MB of memory in use. ENERGY: 3431200 4083.8042 20399.0860 14408.6833 256.9898 -203329.1171 2673.3017 0.0000 0.0000 52454.8182 -109052.4340 301.4586 -161507.2522 -108688.1818 300.1199 -10.3034 20.3226 761034.6617 -11.5688 -11.5271 PRESSURE: 3431400 -338.813 -120.866 -2.24654 -120.867 54.0737 -63.2264 -2.24672 -63.2263 -182.255 GPRESSURE: 3431400 -367.73 -51.4617 -65.5462 -112.827 133.441 -75.461 130.849 -34.6148 -138.178 PRESSAVG: 3431400 41.8502 -83.2455 -23.988 -83.2455 17.5439 -22.7325 -23.9879 -22.7324 21.567 GPRESSAVG: 3431400 41.0287 -81.1171 -23.8333 -84.7776 18.0338 -20.8651 -24.0374 -23.2375 22.1003 TIMING: 3431400 CPU: 10720.7, 0.00314474/step Wall: 10720.7, 0.00314474/step, 1.37023 hours remaining, 235.976562 MB of memory in use. ENERGY: 3431400 4023.8035 20483.0726 14400.8723 253.3244 -203025.1090 2505.1067 0.0000 0.0000 52161.1430 -109197.7864 299.7708 -161358.9294 -108827.3369 299.6366 -155.6647 -124.1554 762444.8844 26.9870 27.0543 PRESSURE: 3431600 183.955 189.331 -135.752 189.332 -152.294 -106.977 -135.753 -106.977 280.93 GPRESSURE: 3431600 278.646 -8.32034 -160.228 178.478 -94.1042 -65.8306 -8.66328 -128.336 240.848 PRESSAVG: 3431600 7.88808 -58.1703 -28.9235 -58.1704 -44.2446 -23.7458 -28.9236 -23.7458 7.46835 GPRESSAVG: 3431600 9.91659 -61.8745 -29.4394 -56.7251 -44.65 -22.7292 -30.5623 -23.6964 5.8845 TIMING: 3431600 CPU: 10721.3, 0.00314186/step Wall: 10721.3, 0.00314187/step, 1.36881 hours remaining, 235.976562 MB of memory in use. ENERGY: 3431600 3890.3614 20434.5003 14415.0511 237.7752 -202984.7190 2513.6809 0.0000 0.0000 52392.7878 -109100.5623 301.1021 -161493.3502 -108734.5835 299.5093 104.1974 141.7968 763417.6737 -9.6294 -9.6163 PRESSURE: 3431800 -241.414 -142.528 -309.13 -142.529 102.985 -95.4174 -309.131 -95.4174 -261.012 GPRESSURE: 3431800 -237.93 -140.008 -171.249 -116.942 151.49 -86.2595 -276.51 -56.329 -215.588 PRESSAVG: 3431800 -23.4498 -45.9629 19.0271 -45.9629 12.9763 -9.18337 19.0271 -9.18332 10.2081 GPRESSAVG: 3431800 -23.0618 -44.1548 20.6249 -47.6043 12.1985 -11.6911 19.357 -8.38509 10.3958 TIMING: 3431800 CPU: 10721.9, 0.00314619/step Wall: 10721.9, 0.00314619/step, 1.37051 hours remaining, 235.976562 MB of memory in use. ENERGY: 3431800 3991.3745 20619.0328 14449.8064 245.1287 -202617.5302 2458.1585 0.0000 0.0000 52175.8864 -108678.1428 299.8555 -160854.0292 -108311.3078 299.9416 -133.1468 -100.6757 762926.9299 -0.0885 -0.1558 PRESSURE: 3432000 218.998 -53.0267 -25.2442 -53.0268 -196.381 -129.313 -25.2437 -129.313 -157.391 GPRESSURE: 3432000 215.492 -60.1924 39.9585 36.7865 -119.648 -165.109 -70.0191 -144.264 -130.512 PRESSAVG: 3432000 27.762 -8.30157 0.896083 -8.30156 -11.2015 19.6244 0.896021 19.6243 4.77079 GPRESSAVG: 3432000 25.0291 -9.23076 0.381249 -8.60065 -9.9543 19.5629 0.809549 17.0474 6.31829 TIMING: 3432000 CPU: 10722.6, 0.0031336/step Wall: 10722.6, 0.0031336/step, 1.36486 hours remaining, 235.976562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3432000 4034.0490 20548.4416 14506.1681 245.0308 -202909.1400 2653.2111 0.0000 0.0000 52216.7133 -108705.5261 300.0902 -160922.2394 -108345.9716 300.7999 -44.9249 -11.5559 762420.0591 7.1104 7.1310 PRESSURE: 3432200 -260.307 -32.6564 -8.64461 -32.6554 147.112 29.8047 -8.64503 29.8031 16.52 GPRESSURE: 3432200 -152.847 28.583 -62.7308 -22.378 171.184 26.0127 -75.1073 74.1152 -38.8827 PRESSAVG: 3432200 13.7622 -17.4741 -50.2368 -17.4742 27.3585 4.58714 -50.2369 4.58717 1.64542 GPRESSAVG: 3432200 15.5963 -18.5747 -49.4932 -16.6201 27.7023 3.1879 -49.3032 6.90952 -0.231508 TIMING: 3432200 CPU: 10723.2, 0.0031319/step Wall: 10723.2, 0.0031319/step, 1.36394 hours remaining, 235.976562 MB of memory in use. ENERGY: 3432200 4023.3966 20667.2525 14495.8896 258.9251 -203103.9089 2500.9400 0.0000 0.0000 52420.5693 -108736.9359 301.2617 -161157.5051 -108384.3519 300.5693 -32.2250 -6.8485 759784.0674 14.2554 14.3557 LDB: ============= START OF LOAD BALANCING ============== 10735.7 LDB: ============== END OF LOAD BALANCING =============== 10735.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10735.7 LDB: ============= START OF LOAD BALANCING ============== 10736 LDB: Largest compute 7070 load 0.030788 is 15.8% of average load 0.195196 LDB: Average compute 0.004385 is 2.2% of average load 0.195196 LDB: TIME 10736 LOAD: AVG 0.195196 MAX 0.218417 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.168 MB LDB: TIME 10736 LOAD: AVG 0.195196 MAX 0.218417 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.168 MB LDB: TIME 10736 LOAD: AVG 0.195196 MAX 0.216622 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.168 MB LDB: ============== END OF LOAD BALANCING =============== 10736 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 PRESSURE: 3432400 -28.7765 -52.1033 89.6991 -52.1038 -52.079 -64.9035 89.6988 -64.9042 -58.6609 GPRESSURE: 3432400 -88.265 -54.3306 92.0045 -16.0763 -1.27757 -136.474 61.8929 -15.7187 -2.14858 PRESSAVG: 3432400 -8.65044 -38.4359 4.61649 -38.4359 8.57688 -49.3556 4.61651 -49.3556 -18.2788 GPRESSAVG: 3432400 -9.15583 -34.3811 3.30555 -39.913 5.64772 -48.4386 3.73474 -48.2414 -15.4503 TIMING: 3432400 CPU: 10723.8, 0.00319534/step Wall: 10723.8, 0.00319534/step, 1.39139 hours remaining, 234.949219 MB of memory in use. ENERGY: 3432400 4047.5843 20331.7435 14413.7940 261.8007 -202788.4039 2191.4658 0.0000 0.0000 52596.4387 -108945.5768 302.2725 -161542.0155 -108580.5181 300.4996 -46.5054 -30.5637 761957.7428 -6.1175 -6.3195 PRESSURE: 3432600 96.3293 -173.066 -0.0596001 -173.066 107.774 -178.334 -0.0588003 -178.333 -517.589 GPRESSURE: 3432600 132.793 -172.091 -68.2241 -74.1507 156.056 -152.562 -82.0298 -142.706 -515.822 PRESSAVG: 3432600 -0.288969 -34.632 6.30427 -34.6321 -32.9291 -39.4388 6.30428 -39.4388 -27.2097 GPRESSAVG: 3432600 -1.25607 -37.0067 8.04826 -32.0175 -30.8391 -39.0801 4.47772 -40.9732 -28.0833 TIMING: 3432600 CPU: 10724.5, 0.00313194/step Wall: 10724.5, 0.00313194/step, 1.36361 hours remaining, 234.949219 MB of memory in use. ENERGY: 3432600 4016.9774 20481.1840 14454.8648 229.4959 -202514.8175 2311.6590 0.0000 0.0000 52140.0410 -108880.5955 299.6495 -161020.6365 -108515.2009 300.0774 -104.4953 -75.6579 761805.9484 -20.1426 -20.0595 PRESSURE: 3432800 -250.44 -159.972 -53.841 -159.972 63.277 -108.246 -53.8416 -108.246 167.414 GPRESSURE: 3432800 -222.336 -154.214 50.5508 -171.243 56.7658 -178.613 -4.37217 -189.555 231.129 PRESSAVG: 3432800 -0.734901 -38.3168 -21.5553 -38.3168 11.0639 19.5249 -21.5554 19.5249 1.96374 GPRESSAVG: 3432800 -0.1183 -36.6204 -20.7415 -39.8636 10.5281 19.7222 -18.9819 18.5339 1.91492 TIMING: 3432800 CPU: 10725.1, 0.00313865/step Wall: 10725.1, 0.00313865/step, 1.36636 hours remaining, 234.949219 MB of memory in use. ENERGY: 3432800 3979.2181 20595.9855 14432.8954 260.5291 -203014.9699 2649.3975 0.0000 0.0000 52305.8056 -108791.1386 300.6022 -161096.9443 -108429.2489 299.9683 -6.5830 21.8531 762830.4746 4.0976 4.1082 PRESSURE: 3433000 218.158 -21.3996 35.488 -21.3993 -124.714 206.9 35.4894 206.9 250.898 GPRESSURE: 3433000 206.047 -61.1539 -81.261 72.0657 -41.689 158.462 140.976 210.571 274.888 PRESSAVG: 3433000 49.6488 -30.8721 9.63293 -30.8721 24.5185 31.0045 9.633 31.0045 -0.908159 GPRESSAVG: 3433000 48.668 -32.5083 7.00999 -28.5529 25.7077 28.6344 9.79547 31.5148 -1.01644 TIMING: 3433000 CPU: 10725.7, 0.00313786/step Wall: 10725.7, 0.00313786/step, 1.36584 hours remaining, 234.949219 MB of memory in use. ENERGY: 3433000 3998.8583 20531.0816 14431.0368 250.3679 -203175.5957 2923.2943 0.0000 0.0000 52137.2695 -108903.6874 299.6336 -161040.9569 -108542.3149 300.3277 114.7806 146.4154 762612.7853 24.4197 24.4531 PRESSURE: 3433200 29.6753 -66.3818 -61.4082 -66.3817 -9.86085 -89.897 -61.4088 -89.8965 176.675 GPRESSURE: 3433200 176.085 22.1599 14.5424 -68.8815 -31.9466 19.6557 -10.32 -133.137 132.861 PRESSAVG: 3433200 -20.0556 -60.4079 43.705 -60.408 -39.6398 53.4131 43.705 53.413 12.4077 GPRESSAVG: 3433200 -18.9852 -57.5203 44.5408 -61.5992 -39.845 55.8564 43.1322 52.7194 11.4342 TIMING: 3433200 CPU: 10726.3, 0.00313315/step Wall: 10726.3, 0.00313315/step, 1.36362 hours remaining, 234.949219 MB of memory in use. ENERGY: 3433200 4061.8534 20745.6252 14466.9589 257.8946 -203500.6679 3001.0761 0.0000 0.0000 52057.7535 -108909.5061 299.1766 -160967.2596 -108558.0969 300.1577 65.4966 92.3329 761495.3638 -15.7626 -15.7986 PRESSURE: 3433400 -319.035 -209.472 -209.616 -209.473 -394.735 -49.8781 -209.616 -49.8774 11.2052 GPRESSURE: 3433400 -319.725 -66.6835 -133.92 -119.451 -214.881 -86.5622 -173.638 -143.23 -67.4698 PRESSAVG: 3433400 6.33009 -35.7303 62.3527 -35.7304 -7.32684 -11.447 62.3527 -11.447 5.80635 GPRESSAVG: 3433400 6.39034 -38.3402 61.1978 -35.3059 -5.57201 -10.367 64.448 -14.8817 4.67941 TIMING: 3433400 CPU: 10727, 0.0031363/step Wall: 10727, 0.0031363/step, 1.36481 hours remaining, 234.949219 MB of memory in use. ENERGY: 3433400 4042.5299 20650.1446 14430.2638 238.5636 -202903.2278 2521.2609 0.0000 0.0000 51966.3866 -109054.0784 298.6515 -161020.4651 -108690.4162 299.8306 -234.1883 -200.6917 763774.1348 1.6032 1.8326 PRESSURE: 3433600 2.99989 -144.497 33.6733 -144.497 -49.3122 1.29133 33.6725 1.29187 57.6691 GPRESSURE: 3433600 -31.9941 -29.506 17.912 -104.674 24.5347 -26.2396 28.2044 93.0928 107.956 PRESSAVG: 3433600 -13.0461 -56.8725 -7.03477 -56.8724 -3.40704 12.315 -7.03477 12.3149 -7.73256 GPRESSAVG: 3433600 -13.638 -58.1961 -4.86377 -55.9308 -4.94688 11.5511 -9.80544 16.5019 -5.92092 TIMING: 3433600 CPU: 10727.6, 0.00311256/step Wall: 10727.6, 0.00311256/step, 1.35431 hours remaining, 234.949219 MB of memory in use. ENERGY: 3433600 3975.0926 20461.2703 14462.0094 245.4855 -203089.2729 2657.5206 0.0000 0.0000 52411.7039 -108876.1906 301.2108 -161287.8945 -108505.4341 300.0074 3.7856 33.4988 764034.2669 -8.0619 -8.1686 PRESSURE: 3433800 -374.113 -117.778 -94.2834 -117.778 321.193 63.6222 -94.2836 63.6228 191.614 GPRESSURE: 3433800 -325.406 -66.8351 -72.1616 -169.194 318.393 6.984 -163.731 19.6497 219.008 PRESSAVG: 3433800 -19.4282 -49.5842 -33.6434 -49.5841 46.0233 42.2647 -33.6434 42.2647 -18.4365 GPRESSAVG: 3433800 -18.6493 -48.823 -35.0368 -50.2997 46.2193 41.485 -34.9502 42.9049 -19.2637 TIMING: 3433800 CPU: 10728.2, 0.00310992/step Wall: 10728.2, 0.00310992/step, 1.35299 hours remaining, 234.949219 MB of memory in use. ENERGY: 3433800 3999.1079 20508.2969 14379.8062 242.3135 -202968.1170 2467.2161 0.0000 0.0000 52127.5341 -109243.8422 299.5777 -161371.3763 -108885.7011 299.5124 46.2312 70.6647 762505.2904 2.7196 2.7688 PRESSURE: 3434000 200.733 -135.274 86.0349 -135.275 186.822 90.1151 86.0335 90.1156 120.99 GPRESSURE: 3434000 182.648 5.97462 75.1058 -46.5124 224.493 -38.4114 -24.6909 135.617 175.373 PRESSAVG: 3434000 14.561 -31.9506 -20.317 -31.9506 -25.3475 3.49379 -20.317 3.49375 -23.3742 GPRESSAVG: 3434000 14.3443 -31.1479 -20.0608 -31.7863 -25.2212 3.43795 -17.6813 1.70597 -23.5431 TIMING: 3434000 CPU: 10728.8, 0.00312195/step Wall: 10728.8, 0.00312195/step, 1.35805 hours remaining, 234.949219 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: 3434000 3999.6798 20473.3333 14381.9921 242.0931 -202692.1007 2381.5719 0.0000 0.0000 52007.3633 -109206.0672 298.8870 -161213.4305 -108840.9131 299.2872 169.5149 194.1711 763712.6824 -11.3869 -11.4733 PRESSURE: 3434200 -37.3937 -51.8676 15.2655 -51.868 446.726 205.836 15.2651 205.834 -126.779 GPRESSURE: 3434200 -65.8287 -6.76855 9.64803 -62.324 502.547 87.9391 -130.72 189.868 -60.9088 PRESSAVG: 3434200 13.3586 30.062 -66.3214 30.062 -9.88083 43.2683 -66.3214 43.2682 11.4434 GPRESSAVG: 3434200 13.9673 28.2335 -65.861 29.9878 -10.8893 42.6212 -66.2889 43.4113 12.4907 TIMING: 3434200 CPU: 10729.5, 0.00311551/step Wall: 10729.5, 0.00311551/step, 1.35507 hours remaining, 235.207031 MB of memory in use. ENERGY: 3434200 3964.8772 20422.5534 14464.2002 240.8661 -203064.2725 2671.9907 0.0000 0.0000 52030.8069 -109268.9781 299.0218 -161299.7850 -108905.4041 298.8562 94.1844 125.2698 762321.3670 4.9737 5.1896 PRESSURE: 3434400 112.294 166.091 -2.65447 166.091 -342.536 224.622 -2.65396 224.622 97.8713 GPRESSURE: 3434400 103.945 75.0594 44.0669 82.0809 -242.85 264.247 27.3054 121.928 79.5679 PRESSAVG: 3434400 12.739 29.5112 -24.7953 29.5112 24.9055 52.2536 -24.7953 52.2536 -8.61628 GPRESSAVG: 3434400 13.4261 29.9489 -24.6659 29.8842 24.0716 52.5504 -26.1852 53.1395 -8.90192 TIMING: 3434400 CPU: 10730.1, 0.00312209/step Wall: 10730.1, 0.00312208/step, 1.35776 hours remaining, 235.207031 MB of memory in use. ENERGY: 3434400 4110.8401 20523.9163 14445.9722 243.7209 -203420.8857 2688.2717 0.0000 0.0000 52160.7986 -109247.3659 299.7688 -161408.1645 -108890.3909 299.3352 -44.1233 -19.7789 762280.5783 9.6761 9.5319 PRESSURE: 3434600 0.304901 31.4718 -109.653 31.473 23.5174 228.849 -109.653 228.85 -213.067 GPRESSURE: 3434600 33.9626 100.552 -50.9691 57.3387 107.309 156.204 4.56395 186.827 -271.082 PRESSAVG: 3434600 42.3336 -17.64 -11.8527 -17.64 -36.5643 23.9443 -11.8526 23.9443 -7.6435 GPRESSAVG: 3434600 41.536 -17.6061 -11.8126 -18.0099 -34.6554 24.1145 -9.44653 22.9832 -8.61564 TIMING: 3434600 CPU: 10730.7, 0.0031361/step Wall: 10730.7, 0.0031361/step, 1.36368 hours remaining, 235.207031 MB of memory in use. ENERGY: 3434600 3974.3479 20547.3786 14386.6720 279.5055 -203280.3361 2590.4962 0.0000 0.0000 52042.9165 -109459.0194 299.0914 -161501.9359 -109087.9175 299.1344 -63.0815 -43.2702 763889.8079 -0.6247 -0.5783 PRESSURE: 3434800 380.137 19.5114 -80.1072 19.5117 381.991 32.5007 -80.1073 32.4998 317.407 GPRESSURE: 3434800 393.141 24.7367 -116.677 -13.4138 354.352 16.4146 -29.8631 87.4842 415.818 PRESSAVG: 3434800 26.8184 -37.9031 36.9968 -37.9031 -5.69621 8.00541 36.9969 8.00542 -1.39881 GPRESSAVG: 3434800 26.445 -37.6735 35.8572 -40.8395 -6.2272 5.76966 36.4708 9.21775 -0.261113 TIMING: 3434800 CPU: 10731.3, 0.00312697/step Wall: 10731.3, 0.00312697/step, 1.35954 hours remaining, 235.207031 MB of memory in use. ENERGY: 3434800 3950.7728 20492.1718 14490.7755 250.7283 -203815.5673 3092.1053 0.0000 0.0000 52098.7868 -109440.2268 299.4124 -161539.0136 -109084.5528 299.3728 359.8451 387.7701 761714.4744 6.5745 6.6522 PRESSURE: 3435000 76.792 -253.006 27.3409 -253.006 -165.077 73.6086 27.3405 73.6081 172.41 GPRESSURE: 3435000 139.642 -246.283 -92.0174 -143.43 -130.596 118.147 -26.7059 56.6648 163.706 PRESSAVG: 3435000 -22.8961 -31.8756 8.25939 -31.8757 13.7307 -20.3619 8.25932 -20.3619 -11.7736 GPRESSAVG: 3435000 -23.0504 -33.1565 7.34071 -31.3511 13.316 -17.2655 8.36802 -22.7158 -11.625 TIMING: 3435000 CPU: 10732, 0.0031256/step Wall: 10732, 0.0031256/step, 1.35877 hours remaining, 235.207031 MB of memory in use. ENERGY: 3435000 3984.2331 20491.4185 14453.2430 227.7153 -203296.0231 2627.3323 0.0000 0.0000 51935.1536 -109576.9273 298.4720 -161512.0810 -109217.2616 299.1428 28.0416 57.5838 763154.5630 -6.9797 -7.1198 PRESSURE: 3435200 36.862 -277.6 -42.7024 -277.6 -51.4632 -161.041 -42.7029 -161.042 176.575 GPRESSURE: 3435200 -33.5329 -195.345 -95.7497 -289.769 -53.3063 -95.6513 145.514 -21.1446 336.092 PRESSAVG: 3435200 -10.1579 -59.2976 -5.0505 -59.2976 -4.08643 1.95911 -5.05051 1.95905 -2.66205 GPRESSAVG: 3435200 -9.75707 -56.7977 -3.01883 -57.9787 -4.27164 0.311169 -5.65127 4.13186 -2.7915 TIMING: 3435200 CPU: 10732.6, 0.00317364/step Wall: 10732.6, 0.00317364/step, 1.37948 hours remaining, 235.207031 MB of memory in use. ENERGY: 3435200 3965.0433 20613.7176 14451.2126 235.7909 -203087.5934 2408.3774 0.0000 0.0000 52146.5671 -109266.8843 299.6870 -161413.4514 -108920.6013 299.0108 53.9913 83.0843 760298.5481 -5.6355 -5.6067 PRESSURE: 3435400 -172.163 -74.9409 64.3032 -74.9408 -232.408 56.1592 64.3028 56.1596 152.649 GPRESSURE: 3435400 -113.012 -148.474 141.134 -103.44 -211.469 -1.47093 9.31512 -77.04 172.168 PRESSAVG: 3435400 17.9614 -46.5446 -35.4009 -46.5445 -12.3635 34.9046 -35.4009 34.9047 11.5214 GPRESSAVG: 3435400 18.2644 -48.125 -36.3265 -46.5116 -12.1448 35.9583 -36.0236 33.3449 10.9634 TIMING: 3435400 CPU: 10733.2, 0.00314946/step Wall: 10733.2, 0.00314946/step, 1.36879 hours remaining, 235.207031 MB of memory in use. ENERGY: 3435400 3929.7947 20588.0533 14384.5337 248.0736 -203056.0984 2457.8535 0.0000 0.0000 52171.5032 -109276.2863 299.8303 -161447.7895 -108910.7831 299.5355 -83.9739 -50.7712 762311.3317 5.7064 5.6943 PRESSURE: 3435600 433.662 -49.8814 -76.1151 -49.8807 388.444 84.7052 -76.1149 84.705 359.739 GPRESSURE: 3435600 428.936 -156.4 -100.645 -190.3 402.044 84.7523 -30.9584 36.5981 421.022 PRESSAVG: 3435600 -38.8132 -53.4837 -10.5734 -53.4836 73.1475 -29.3076 -10.5734 -29.3076 -16.8401 GPRESSAVG: 3435600 -38.9955 -53.656 -9.66281 -54.4581 73.5986 -31.245 -10.236 -30.0562 -17.5401 TIMING: 3435600 CPU: 10733.9, 0.00315615/step Wall: 10733.9, 0.00315615/step, 1.37152 hours remaining, 235.207031 MB of memory in use. ENERGY: 3435600 3869.1109 20610.3911 14427.8346 253.4885 -203512.9507 2843.5786 0.0000 0.0000 52070.2093 -109438.3377 299.2482 -161508.5470 -109067.6365 298.8081 393.9483 417.3340 759183.8506 5.8314 5.6877 PRESSURE: 3435800 -117.047 46.385 -55.9418 46.3855 -70.8902 57.8557 -55.9413 57.8561 -25.8938 GPRESSURE: 3435800 -163.716 1.38644 -106.368 31.5472 -39.7944 86.3232 -50.8263 14.7019 62.5209 PRESSAVG: 3435800 -5.53421 -11.0992 -13.443 -11.0992 -12.3393 27.4472 -13.443 27.4472 4.34082 GPRESSAVG: 3435800 -5.76254 -9.87347 -12.7301 -12.4707 -13.2463 30.1344 -12.2324 27.4265 5.42987 TIMING: 3435800 CPU: 10734.5, 0.00316287/step Wall: 10734.5, 0.00316287/step, 1.37427 hours remaining, 235.207031 MB of memory in use. ENERGY: 3435800 3992.9478 20527.9280 14448.4408 246.9218 -202845.0810 2437.3508 0.0000 0.0000 51976.6779 -109214.8141 298.7107 -161191.4919 -108860.0426 299.1824 -71.2770 -46.9965 762582.0711 -4.5109 -4.5263 PRESSURE: 3436000 165.484 85.7981 -26.6421 85.798 -405.777 -207.724 -26.6424 -207.724 -93.4558 GPRESSURE: 3436000 137.784 122.676 39.8681 94.9359 -292.36 -161.979 -118.932 -297.115 -93.1176 PRESSAVG: 3436000 -4.85853 -6.96909 -5.89583 -6.96915 6.06052 -10.3846 -5.89579 -10.3846 -8.18469 GPRESSAVG: 3436000 -5.42388 -7.80255 -8.02442 -4.95097 6.60383 -11.4377 -6.79269 -8.27574 -7.97479 TIMING: 3436000 CPU: 10735.1, 0.00313197/step Wall: 10735.1, 0.00313197/step, 1.36067 hours remaining, 235.207031 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: 3436000 4018.3789 20528.2274 14500.8407 256.1688 -202796.0079 2331.1276 0.0000 0.0000 51863.1965 -109298.0680 298.0585 -161161.2646 -108934.6314 299.4581 -111.2495 -82.5646 762641.6648 -2.3276 -2.2649 PRESSURE: 3436200 -53.0761 93.4142 179.253 93.4147 -221.184 -170.877 179.253 -170.876 188.718 GPRESSURE: 3436200 -49.3627 -84.5361 161.048 -63.2601 -202.764 -245.313 71.4323 -139.271 238.319 PRESSAVG: 3436200 58.0265 -19.7273 0.39018 -19.7272 -26.8117 17.7246 0.39016 17.7246 11.0816 GPRESSAVG: 3436200 58.508 -23.1881 -0.332431 -21.1636 -26.2518 16.8135 0.716968 16.8322 9.81287 TIMING: 3436200 CPU: 10735.8, 0.0031685/step Wall: 10735.8, 0.0031685/step, 1.37636 hours remaining, 235.207031 MB of memory in use. ENERGY: 3436200 3970.9702 20544.8950 14464.2529 250.1307 -203424.9569 2667.5448 0.0000 0.0000 52340.3252 -109186.8381 300.8006 -161527.1633 -108809.7653 299.6692 -28.5141 -4.6028 762883.0580 14.0988 14.0230 LDB: ============= START OF LOAD BALANCING ============== 10748.2 LDB: ============== END OF LOAD BALANCING =============== 10748.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10748.2 LDB: ============= START OF LOAD BALANCING ============== 10748.6 LDB: Largest compute 7070 load 0.031679 is 16.2% of average load 0.195176 LDB: Average compute 0.004375 is 2.2% of average load 0.195176 LDB: TIME 10748.6 LOAD: AVG 0.195176 MAX 0.216333 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.582 MB LDB: TIME 10748.6 LOAD: AVG 0.195176 MAX 0.216333 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.582 MB LDB: TIME 10748.6 LOAD: AVG 0.195176 MAX 0.216333 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.582 MB LDB: ============== END OF LOAD BALANCING =============== 10748.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10748.6 PRESSURE: 3436400 6.92656 -123.467 222.544 -123.468 -506.936 187.199 222.544 187.199 -14.4899 GPRESSURE: 3436400 -3.24826 -77.0154 202.183 -136.582 -500.017 253.96 205.271 179.5 71.4161 PRESSAVG: 3436400 38.9361 -39.9687 7.86276 -39.9688 -8.77539 -15.3288 7.86282 -15.3288 25.1635 GPRESSAVG: 3436400 37.9235 -38.6147 8.32205 -37.9715 -9.62687 -14.8958 6.81878 -15.7419 26.7737 TIMING: 3436400 CPU: 10736.4, 0.00323471/step Wall: 10736.4, 0.00323471/step, 1.40494 hours remaining, 235.023438 MB of memory in use. ENERGY: 3436400 3918.2670 20669.3850 14474.5068 233.9521 -202638.7405 2354.7875 0.0000 0.0000 51706.7597 -109281.0825 297.1595 -160987.8422 -108925.6633 298.9942 -171.4997 -143.9498 764399.1179 18.4414 18.3568 PRESSURE: 3436600 204.439 28.4737 18.936 28.4735 -207.468 208.383 18.9364 208.382 -325.186 GPRESSURE: 3436600 205.956 -101.465 5.54636 -50.6861 -174.336 138.505 143.726 223.307 -264.753 PRESSAVG: 3436600 35.7873 -14.0649 -29.146 -14.065 -80.6323 22.0182 -29.1459 22.0183 -9.31506 GPRESSAVG: 3436600 36.8135 -12.699 -29.8061 -15.1533 -79.9534 23.4792 -26.6706 23.5865 -11.0476 TIMING: 3436600 CPU: 10737, 0.00317439/step Wall: 10737, 0.00317439/step, 1.37857 hours remaining, 235.222656 MB of memory in use. ENERGY: 3436600 4039.2599 20508.6246 14394.3084 263.4851 -202859.7135 2591.1540 0.0000 0.0000 51997.3810 -109065.5005 298.8297 -161062.8815 -108702.2520 299.1179 -109.4049 -77.7112 763267.5240 -18.0534 -18.0625 PRESSURE: 3436800 -63.1475 7.01971 46.3027 7.01966 -535.916 33.9667 46.3026 33.9668 -224.894 GPRESSURE: 3436800 -51.3083 -68.784 63.4761 -62.0664 -438.362 -13.33 -12.9477 54.9925 -241.574 PRESSAVG: 3436800 50.7231 -25.2392 0.348396 -25.2393 -55.3028 -44.4327 0.348378 -44.4328 -4.33838 GPRESSAVG: 3436800 49.681 -24.6829 3.4203 -24.7721 -54.84 -45.931 -3.42048 -44.1946 -3.59434 TIMING: 3436800 CPU: 10737.7, 0.00315584/step Wall: 10737.7, 0.00315584/step, 1.37034 hours remaining, 235.222656 MB of memory in use. ENERGY: 3436800 3997.3517 20348.0313 14441.7423 256.0327 -202819.1990 2365.8865 0.0000 0.0000 52084.3777 -109325.7767 299.3296 -161410.1545 -108949.0908 299.6094 -274.6523 -243.7482 764238.5002 -2.9727 -2.9178 PRESSURE: 3437000 -183.176 8.44253 -65.4442 8.44244 -35.7736 43.3546 -65.4436 43.3547 -132.026 GPRESSURE: 3437000 -207.358 20.4164 -65.5487 50.2932 67.2848 29.0992 32.0148 -51.3354 -130.198 PRESSAVG: 3437000 17.6203 3.97162 9.45673 3.97161 6.48197 -41.2521 9.45672 -41.2521 10.7345 GPRESSAVG: 3437000 18.9124 4.13934 9.04811 3.20027 4.42005 -40.0553 10.6156 -43.1641 10.9947 TIMING: 3437000 CPU: 10738.3, 0.00313728/step Wall: 10738.3, 0.00313728/step, 1.3621 hours remaining, 235.222656 MB of memory in use. ENERGY: 3437000 3945.7760 20526.2865 14424.6460 253.1259 -203058.3885 2491.6381 0.0000 0.0000 51939.6903 -109477.2257 298.4981 -161416.9160 -109119.5381 299.0912 -116.9919 -90.0904 763929.9914 11.6122 11.4424 PRESSURE: 3437200 335.51 -174.561 175.998 -174.56 -40.1911 -322.213 175.998 -322.214 -36.3801 GPRESSURE: 3437200 320.627 -294.742 135.577 -195.734 49.0029 -249.321 229.202 -341.306 -50.1283 PRESSAVG: 3437200 -42.613 -86.6221 -45.8577 -86.6221 -3.63137 41.6885 -45.8577 41.6884 -8.30475 GPRESSAVG: 3437200 -44.2599 -86.595 -46.9447 -84.476 -1.66502 42.3334 -45.2115 40.7878 -8.74352 TIMING: 3437200 CPU: 10738.9, 0.00312755/step Wall: 10738.9, 0.00312755/step, 1.3577 hours remaining, 235.222656 MB of memory in use. ENERGY: 3437200 3955.7347 20404.1362 14496.7318 228.9381 -203365.1895 2811.2203 0.0000 0.0000 51853.2532 -109615.1750 298.0014 -161468.4282 -109237.6940 297.8959 86.3129 106.5007 764126.2893 -18.1830 -18.2228 PRESSURE: 3437400 76.369 -77.782 -54.585 -77.7813 -118.274 233.695 -54.5853 233.695 20.949 GPRESSURE: 3437400 98.7656 -19.2113 -63.045 -26.6528 -75.1898 161.305 -104.939 193.302 42.6216 PRESSAVG: 3437400 -7.11919 -61.5302 -32.8555 -61.5303 4.10597 -2.99973 -32.8555 -2.99971 -5.13242 GPRESSAVG: 3437400 -6.05096 -61.1 -32.7739 -63.9169 2.45823 -3.93135 -33.2391 -1.94428 -5.04984 TIMING: 3437400 CPU: 10739.5, 0.00313809/step Wall: 10739.5, 0.00313809/step, 1.3621 hours remaining, 235.222656 MB of memory in use. ENERGY: 3437400 3989.2048 20521.0900 14373.8475 241.6226 -203284.4267 2832.2484 0.0000 0.0000 51797.0163 -109529.3972 297.6782 -161326.4135 -109174.1896 297.9759 -6.9853 22.0658 764214.3932 -2.7152 -2.8809 PRESSURE: 3437600 100.742 -92.1503 120.762 -92.1503 -12.7158 -78.7351 120.762 -78.7352 -40.3739 GPRESSURE: 3437600 213.927 -42.7322 121.763 -192.353 -59.6521 -39.4403 187.558 -21.7506 -12.3044 PRESSAVG: 3437600 30.7396 -58.2346 0.79818 -58.2345 -45.4613 70.2167 0.798146 70.2167 41.0166 GPRESSAVG: 3437600 30.4968 -58.8969 1.58095 -57.1656 -45.3881 70.6295 0.441829 70.4796 41.471 TIMING: 3437600 CPU: 10740.2, 0.0031237/step Wall: 10740.2, 0.0031237/step, 1.35568 hours remaining, 235.222656 MB of memory in use. ENERGY: 3437600 3917.7480 20363.2037 14481.6886 253.9806 -203291.7141 2841.1246 0.0000 0.0000 52140.7698 -109293.1988 299.6537 -161433.9686 -108933.9028 298.8720 15.8841 47.3235 763086.5724 8.7650 8.8599 PRESSURE: 3437800 -37.1469 56.6115 44.376 56.6116 9.26829 169.108 44.3746 169.108 -366.825 GPRESSURE: 3437800 -76.5947 53.826 135.826 73.6433 96.9341 112.809 -184.439 125.873 -350.805 PRESSAVG: 3437800 16.4335 -48.9004 3.19746 -48.9005 1.71957 4.20371 3.19742 4.20376 -6.91698 GPRESSAVG: 3437800 15.4674 -48.1378 1.41621 -51.034 2.55113 3.0148 4.86455 1.78956 -6.6737 TIMING: 3437800 CPU: 10740.8, 0.00315219/step Wall: 10740.8, 0.00315219/step, 1.36788 hours remaining, 235.222656 MB of memory in use. ENERGY: 3437800 3910.2604 20318.2491 14407.7105 244.7986 -203228.0981 2659.5496 0.0000 0.0000 52154.0373 -109533.4926 299.7300 -161687.5299 -109169.3576 298.7433 -131.5678 -110.1551 763312.8311 3.7454 3.7816 PRESSURE: 3438000 -89.4911 102.928 7.68209 102.928 -397.025 78.6867 7.68203 78.6872 294.164 GPRESSURE: 3438000 48.284 18.2884 27.6066 46.8613 -356.79 -16.8583 -5.4306 70.5504 196.607 PRESSAVG: 3438000 15.1074 -13.6483 24.8686 -13.6483 27.3662 41.0523 24.8685 41.0523 -4.65418 GPRESSAVG: 3438000 16.062 -15.1451 25.4893 -10.788 28.4322 42.6484 24.2207 43.8754 -5.77655 TIMING: 3438000 CPU: 10741.4, 0.00312239/step Wall: 10741.4, 0.00312239/step, 1.35477 hours remaining, 235.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3438000 4025.3051 20576.0686 14430.0787 249.1039 -203090.7312 2376.4626 0.0000 0.0000 51965.3548 -109468.3576 298.6456 -161433.7124 -109126.8160 299.0167 -64.1173 -37.2996 761773.2986 12.6065 12.9059 PRESSURE: 3438200 -360.85 -357.644 40.3211 -357.644 -75.0221 152.611 40.3214 152.611 -80.5331 GPRESSURE: 3438200 -332.229 -333.151 52.6322 -373.667 -48.4894 231.425 -90.134 82.648 -40.8226 PRESSAVG: 3438200 -14.5172 -94.2935 26.3988 -94.2935 14.6833 15.1364 26.3988 15.1365 19.61 GPRESSAVG: 3438200 -13.7724 -92.196 27.0947 -95.7418 13.2618 14.3165 26.8891 14.4527 20.4538 TIMING: 3438200 CPU: 10742.1, 0.00311343/step Wall: 10742.1, 0.00311343/step, 1.35071 hours remaining, 235.222656 MB of memory in use. ENERGY: 3438200 3961.0960 20313.6549 14512.9146 229.5935 -202948.0215 2572.9923 0.0000 0.0000 52076.5298 -109281.2404 299.2845 -161357.7703 -108915.4111 298.6875 -172.1350 -140.5138 763127.6733 6.5920 6.6477 PRESSURE: 3438400 142.797 169.149 -19.9565 169.149 -216.925 172.239 -19.9568 172.239 -172.149 GPRESSURE: 3438400 163.131 172.731 -50.9786 143.314 -175.736 206.122 -8.18588 83.3531 -126.019 PRESSAVG: 3438400 -21.2718 -53.2944 34.8651 -53.2944 -29.3645 48.2947 34.8651 48.2946 -26.0966 GPRESSAVG: 3438400 -21.144 -52.3326 35.2339 -53.4237 -29.7594 48.4879 35.4085 47.7802 -25.7456 TIMING: 3438400 CPU: 10742.7, 0.00313005/step Wall: 10742.7, 0.00313005/step, 1.35775 hours remaining, 235.222656 MB of memory in use. ENERGY: 3438400 4054.1098 20450.7360 14442.6156 249.2350 -203067.6606 2686.9697 0.0000 0.0000 52082.1495 -109101.8450 299.3168 -161183.9945 -108747.4815 298.9734 -82.0921 -46.2080 762158.3542 -25.5777 -25.5497 PRESSURE: 3438600 -350.327 84.1764 272.889 84.1763 21.4652 -74.8904 272.889 -74.8912 -537.396 GPRESSURE: 3438600 -224.245 38.6637 412.071 92.1816 -87.8059 -56.3338 207.295 -58.753 -461.701 PRESSAVG: 3438600 40.0364 -27.2764 2.12726 -27.2765 -54.3863 18.4564 2.12727 18.4564 4.16903 GPRESSAVG: 3438600 39.2314 -29.1856 2.6686 -26.8289 -53.609 18.9625 2.17255 18.3978 4.31333 TIMING: 3438600 CPU: 10743.3, 0.00312053/step Wall: 10743.3, 0.00312053/step, 1.35344 hours remaining, 235.222656 MB of memory in use. ENERGY: 3438600 4024.3342 20522.0954 14374.7491 235.1136 -202625.2921 2593.7066 0.0000 0.0000 51932.6717 -108942.6216 298.4578 -160875.2933 -108586.2180 299.7568 -288.7527 -257.9172 764289.5398 -3.3936 -3.3548 PRESSURE: 3438800 84.9525 -27.7855 0.323127 -27.7858 126.745 255.988 0.322657 255.987 -263.179 GPRESSURE: 3438800 81.5605 -35.1518 0.902508 4.08281 186.522 187.989 -62.9302 79.3341 -225.619 PRESSAVG: 3438800 13.5489 -53.6568 28.6588 -53.6568 -53.0626 53.6146 28.6588 53.6146 -13.2911 GPRESSAVG: 3438800 13.8089 -52.0015 29.4562 -56.1557 -53.8411 52.7789 26.5499 53.5086 -12.7534 TIMING: 3438800 CPU: 10743.9, 0.00312553/step Wall: 10743.9, 0.00312553/step, 1.35544 hours remaining, 235.222656 MB of memory in use. ENERGY: 3438800 4092.3377 20310.8182 14439.7619 229.6770 -202928.5162 2621.1066 0.0000 0.0000 51968.8530 -109265.9617 298.6657 -161234.8147 -108908.6207 299.1562 -17.1606 14.1545 763735.1408 -17.6016 -17.5952 PRESSURE: 3439000 89.23 168.532 -273.423 168.533 -309.72 -60.3608 -273.424 -60.3604 -263.543 GPRESSURE: 3439000 76.2905 95.5201 -249.573 183.52 -218.639 26.5086 -109.462 -14.6227 -268.054 PRESSAVG: 3439000 39.4096 -12.1541 -64.5928 -12.1541 4.52407 15.7012 -64.5927 15.7012 -0.301852 GPRESSAVG: 3439000 38.9051 -13.5093 -66.8939 -11.6856 5.75885 15.4373 -63.2294 17.392 -0.542459 TIMING: 3439000 CPU: 10744.6, 0.00312773/step Wall: 10744.6, 0.00312773/step, 1.35622 hours remaining, 235.222656 MB of memory in use. ENERGY: 3439000 3973.0179 20597.2930 14439.5153 248.3096 -202919.5703 2501.9476 0.0000 0.0000 52258.2266 -108901.2603 300.3287 -161159.4869 -108541.0470 299.9619 -161.3443 -136.8008 764581.6333 14.5439 14.7072 PRESSURE: 3439200 -57.6996 -51.1108 -141.922 -51.1108 154.438 -154.254 -141.923 -154.254 216.983 GPRESSURE: 3439200 80.5229 -92.3502 -94.2196 -15.0986 119.907 -128.697 -43.5406 -160.005 201.84 PRESSAVG: 3439200 33.7296 -2.53497 6.37587 -2.53504 -28.7435 6.69887 6.37583 6.69894 -3.40442 GPRESSAVG: 3439200 34.8198 -1.22143 7.47917 -1.61807 -29.5627 6.81175 7.58823 5.09718 -3.5529 TIMING: 3439200 CPU: 10745.2, 0.0031166/step Wall: 10745.2, 0.0031166/step, 1.35122 hours remaining, 235.222656 MB of memory in use. ENERGY: 3439200 4070.5400 20562.2272 14452.1871 245.3578 -203193.1918 2814.3639 0.0000 0.0000 52234.2543 -108814.2615 300.1910 -161048.5158 -108454.7024 299.9111 104.5740 134.0900 763580.9663 0.5272 0.5681 PRESSURE: 3439400 387.497 -26.0615 -69.0427 -26.0611 -375.134 68.1892 -69.0422 68.1888 59.9 GPRESSURE: 3439400 390.213 -40.4092 10.9377 -81.2557 -250.806 28.8445 -135.431 -12.3173 19.9175 PRESSAVG: 3439400 53.3182 5.08717 23.5078 5.08712 -38.5984 -9.06251 23.5078 -9.06238 -1.91857 GPRESSAVG: 3439400 53.4171 3.16866 24.1225 6.07054 -37.9944 -10.6157 23.1524 -9.52435 -1.5682 TIMING: 3439400 CPU: 10745.8, 0.00314679/step Wall: 10745.8, 0.00314679/step, 1.36413 hours remaining, 235.222656 MB of memory in use. ENERGY: 3439400 4004.2202 20657.1366 14514.3088 240.2831 -203320.8902 2763.6675 0.0000 0.0000 52201.9982 -108939.2758 300.0056 -161141.2740 -108584.6583 299.9071 24.0875 53.1081 763606.5018 4.2671 4.6181 PRESSURE: 3439600 199.852 140.421 -88.2927 140.422 -384.413 -111.791 -88.2924 -111.793 -502.03 GPRESSURE: 3439600 113.864 27.2452 -6.68378 91.8798 -355.879 -101.424 -148.438 -203.388 -359.572 PRESSAVG: 3439600 33.4193 -8.25682 32.7576 -8.25687 -10.0025 -35.7599 32.7576 -35.7599 -2.71014 GPRESSAVG: 3439600 32.4022 -6.44247 30.2347 -10.6035 -10.3727 -34.0035 34.3148 -37.4405 -1.29743 TIMING: 3439600 CPU: 10746.4, 0.00314622/step Wall: 10746.4, 0.00314622/step, 1.36371 hours remaining, 235.222656 MB of memory in use. ENERGY: 3439600 3997.1797 20668.2509 14391.9384 262.2368 -203068.2000 2660.0103 0.0000 0.0000 51953.7238 -109134.8601 298.5788 -161088.5839 -108779.9122 299.8133 -228.8637 -200.5288 763980.7016 6.9022 6.9107 PRESSURE: 3439800 307.146 -188.815 121.513 -188.815 84.2521 -149.1 121.513 -149.1 22.1361 GPRESSURE: 3439800 334.472 -67.7757 101.321 -191.681 155.87 -67.8881 91.0827 -73.3811 33.3451 PRESSAVG: 3439800 10.6386 -12.1393 19.5138 -12.1392 -19.7964 -8.60991 19.5138 -8.6099 14.0689 GPRESSAVG: 3439800 11.8867 -13.9274 19.6089 -9.6098 -19.7601 -8.79786 16.3405 -7.59586 12.9945 TIMING: 3439800 CPU: 10747.1, 0.00315321/step Wall: 10747.1, 0.00315321/step, 1.36657 hours remaining, 235.222656 MB of memory in use. ENERGY: 3439800 3932.3617 20390.5610 14341.2104 246.9897 -203118.6865 2669.8707 0.0000 0.0000 52143.6381 -109394.0549 299.6702 -161537.6930 -109020.7809 299.5308 137.8447 174.5623 762669.3853 1.6370 1.7070 PRESSURE: 3440000 -106.005 90.2118 -134.292 90.2115 90.1762 -209.14 -134.291 -209.14 50.6278 GPRESSURE: 3440000 -10.5103 101.126 -157.18 30.0513 38.0337 -137.111 -49.0029 -113.476 104.83 PRESSAVG: 3440000 -11.9216 -42.9459 51.4358 -42.9459 19.4394 -35.8744 51.4358 -35.8743 -12.0474 GPRESSAVG: 3440000 -12.7261 -42.8395 52.5357 -43.2319 19.3277 -35.001 54.2439 -36.2374 -11.3912 TIMING: 3440000 CPU: 10747.7, 0.00315687/step Wall: 10747.7, 0.00315687/step, 1.36798 hours remaining, 235.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3440000 3975.2888 20504.3695 14431.1814 254.6493 -203444.8470 2760.7894 0.0000 0.0000 52200.9946 -109317.5740 299.9998 -161518.5686 -108943.3898 299.6044 11.5995 44.1176 762334.0925 -1.5098 -1.5965 PRESSURE: 3440200 120.569 195.319 85.7441 195.318 -174.549 184.148 85.745 184.149 310.52 GPRESSURE: 3440200 118.247 142.456 122.527 198.415 -111.953 144.475 64.6882 168.814 319.564 PRESSAVG: 3440200 -20.7562 -9.04677 23.6727 -9.04675 16.9325 29.0268 23.6727 29.0269 11.1895 GPRESSAVG: 3440200 -21.3906 -6.98695 24.6453 -10.1622 17.697 27.1016 21.1864 32.6819 11.3945 TIMING: 3440200 CPU: 10748.3, 0.00313236/step Wall: 10748.3, 0.00313236/step, 1.35718 hours remaining, 235.222656 MB of memory in use. ENERGY: 3440200 3936.2022 20574.8336 14464.4471 252.6205 -203189.6921 2574.5136 0.0000 0.0000 52163.2795 -109223.7957 299.7831 -161387.0751 -108858.0416 299.1368 85.5134 108.6196 764117.1095 2.4553 2.5670 LDB: ============= START OF LOAD BALANCING ============== 10760.8 LDB: ============== END OF LOAD BALANCING =============== 10760.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10760.8 LDB: ============= START OF LOAD BALANCING ============== 10761.1 LDB: Largest compute 7070 load 0.032517 is 16.7% of average load 0.195102 LDB: Average compute 0.004383 is 2.2% of average load 0.195102 LDB: TIME 10761.1 LOAD: AVG 0.195102 MAX 0.216112 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.336 MB LDB: TIME 10761.1 LOAD: AVG 0.195102 MAX 0.216112 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.539 MB LDB: TIME 10761.1 LOAD: AVG 0.195102 MAX 0.216112 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.539 MB LDB: ============== END OF LOAD BALANCING =============== 10761.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10761.1 PRESSURE: 3440400 157.618 16.455 -46.5311 16.4552 -32.3095 113.564 -46.531 113.564 -207.587 GPRESSURE: 3440400 88.3129 35.5508 -72.2117 18.242 88.3316 66.7522 -47.0033 -15.8245 -192.335 PRESSAVG: 3440400 -77.9586 22.6305 -7.86413 22.6306 14.4014 -4.08418 -7.86416 -4.08411 20.2514 GPRESSAVG: 3440400 -77.0008 20.2633 -10.664 25.0728 15.0609 -4.7645 -4.43779 -7.20475 18.8634 TIMING: 3440400 CPU: 10749, 0.00321005/step Wall: 10749, 0.00321005/step, 1.39066 hours remaining, 233.742188 MB of memory in use. ENERGY: 3440400 3980.8350 20815.8869 14454.8239 243.4622 -203657.0355 2881.0781 0.0000 0.0000 52274.1328 -109006.8166 300.4202 -161280.9494 -108643.1109 300.0979 -27.4262 -5.2300 761989.3399 -14.4353 -14.3588 PRESSURE: 3440600 -40.1048 -149.498 5.22938 -149.498 -57.1654 -24.4283 5.22969 -24.4284 95.3339 GPRESSURE: 3440600 -58.5382 -96.7094 -39.6216 -134.021 -61.0988 -49.6501 -30.8668 -69.906 214.139 PRESSAVG: 3440600 38.8286 -30.9496 26.8818 -30.9496 -5.86115 20.1948 26.8819 20.1948 -24.317 GPRESSAVG: 3440600 40.0817 -28.7888 28.0799 -33.6626 -7.41637 21.8862 24.0941 18.8759 -23.5132 TIMING: 3440600 CPU: 10749.6, 0.00311821/step Wall: 10749.6, 0.00311821/step, 1.35071 hours remaining, 233.742188 MB of memory in use. ENERGY: 3440600 3987.9941 20666.0445 14480.1543 243.7404 -203379.6800 2761.9885 0.0000 0.0000 52214.8020 -109024.9563 300.0792 -161239.7583 -108668.2843 299.7407 -0.6454 31.5008 763733.4403 2.8835 3.0507 PRESSURE: 3440800 -262.998 43.9023 221.952 43.9027 -182.856 134.617 221.952 134.616 130.953 GPRESSURE: 3440800 -261.14 177.118 173.843 99.4945 -127.337 128.414 296.013 146.193 150.108 PRESSAVG: 3440800 22.4519 -79.3962 4.91504 -79.3961 7.97726 9.64201 4.91507 9.64202 -4.51112 GPRESSAVG: 3440800 20.3023 -82.464 5.76401 -77.2123 10.0647 7.4253 5.70441 12.3966 -4.77539 TIMING: 3440800 CPU: 10750.2, 0.00312645/step Wall: 10750.2, 0.00312645/step, 1.3541 hours remaining, 233.742188 MB of memory in use. ENERGY: 3440800 4081.9692 20610.4941 14381.9114 265.6376 -203130.5031 2661.7580 0.0000 0.0000 52239.1465 -108889.5863 300.2191 -161128.7329 -108530.3543 299.8724 -104.9671 -79.4563 763663.1557 8.6393 8.5305 PRESSURE: 3441000 346.044 -128.753 -242.05 -128.754 238.13 14.6006 -242.05 14.6013 -173.21 GPRESSURE: 3441000 288.162 -182.9 -308.727 -92.7506 338.149 76.0574 -84.8536 -84.1779 -148.324 PRESSAVG: 3441000 38.4551 1.68463 -4.63698 1.68465 -26.041 35.3972 -4.637 35.3972 -1.97796 GPRESSAVG: 3441000 38.727 2.05038 -3.96374 -0.31018 -26.4014 36.304 -3.84572 35.8523 -1.94933 TIMING: 3441000 CPU: 10750.8, 0.00312626/step Wall: 10750.8, 0.00312626/step, 1.35384 hours remaining, 233.742188 MB of memory in use. ENERGY: 3441000 4003.6285 20541.5088 14491.3520 253.0177 -203491.0103 2942.9674 0.0000 0.0000 52567.9393 -108690.5967 302.1087 -161258.5360 -108333.4596 300.5510 136.9881 159.3291 762939.7375 3.4787 3.4588 PRESSURE: 3441200 -362.302 4.80005 204.498 4.79977 -84.7915 234.242 204.499 234.242 99.779 GPRESSURE: 3441200 -238.554 48.0005 -18.8557 -5.35559 -168.374 259.801 245.694 320.016 129.599 PRESSAVG: 3441200 -2.19436 -32.9917 32.924 -32.9917 3.47045 -4.9672 32.924 -4.9672 -19.1709 GPRESSAVG: 3441200 -0.543152 -32.544 31.2726 -31.2595 1.48427 -3.80594 32.5935 -7.38332 -19.343 TIMING: 3441200 CPU: 10751.5, 0.00312796/step Wall: 10751.5, 0.00312796/step, 1.35441 hours remaining, 233.742188 MB of memory in use. ENERGY: 3441200 4045.4973 20710.5959 14470.8121 253.0552 -203304.6166 2872.8997 0.0000 0.0000 52234.3081 -108717.4483 300.1913 -160951.7565 -108360.7778 300.8846 -115.7714 -92.4430 763873.6115 -5.9649 -6.1340 PRESSURE: 3441400 -313.917 -33.7927 34.8143 -33.7931 473.742 -102.992 34.8145 -102.992 -312.048 GPRESSURE: 3441400 -241.854 -104.051 121.273 215.8 360.23 -29.1609 -34.7323 129.67 -208.135 PRESSAVG: 3441400 -31.5397 -57.0675 21.7257 -57.0675 58.8418 25.6026 21.7257 25.6027 19.6774 GPRESSAVG: 3441400 -32.9638 -55.1586 24.0589 -58.0736 59.6603 23.7324 20.7139 26.7381 20.0805 TIMING: 3441400 CPU: 10752.1, 0.00312324/step Wall: 10752.1, 0.00312324/step, 1.35219 hours remaining, 233.742188 MB of memory in use. ENERGY: 3441400 4090.5836 20499.1481 14435.3078 262.0782 -202867.1800 2582.5824 0.0000 0.0000 52182.1349 -108815.3452 299.8914 -160997.4801 -108452.2098 300.8020 -50.7409 -29.9197 762415.2544 15.6598 15.5923 PRESSURE: 3441600 -181.012 -114.806 -236.945 -114.805 -227.24 89.7454 -236.945 89.745 -181.243 GPRESSURE: 3441600 -97.3637 -76.746 -173.029 -86.1588 -242.199 215.827 -254.056 -82.9499 -157.662 PRESSAVG: 3441600 -46.5011 0.155471 19.7269 0.155521 45.1573 3.8411 19.727 3.84114 -3.64773 GPRESSAVG: 3441600 -46.4604 0.344021 17.3119 -1.08505 46.1472 4.58303 20.8895 3.06664 -4.28474 TIMING: 3441600 CPU: 10752.7, 0.00314414/step Wall: 10752.7, 0.00314414/step, 1.36106 hours remaining, 233.742188 MB of memory in use. ENERGY: 3441600 4057.0417 20500.8126 14390.8928 237.5642 -203166.6951 2805.4061 0.0000 0.0000 52274.9527 -108900.0251 300.4249 -161174.9777 -108540.0067 300.0466 -196.4982 -165.7415 763725.5719 -1.6638 -1.5327 PRESSURE: 3441800 -199.369 -77.2897 104.313 -77.2901 8.36473 -35.5159 104.313 -35.5147 -466.5 GPRESSURE: 3441800 -216.485 -153.267 28.9838 -60.6598 9.59658 -42.3846 81.6927 -5.849 -369.136 PRESSAVG: 3441800 -34.8521 -29.3473 -1.24312 -29.3472 42.2184 12.2492 -1.24314 12.2492 6.20541 GPRESSAVG: 3441800 -33.7986 -32.4128 0.387476 -28.6502 40.4636 11.3844 -2.34712 12.9673 6.39527 TIMING: 3441800 CPU: 10753.3, 0.00313384/step Wall: 10753.3, 0.00313384/step, 1.35643 hours remaining, 233.742188 MB of memory in use. ENERGY: 3441800 3974.3440 20664.3829 14427.8597 262.2797 -203127.7778 2637.8906 0.0000 0.0000 52417.5742 -108743.4466 301.2445 -161161.0208 -108373.3139 300.1705 -219.1683 -192.0081 764968.7281 4.5239 4.3534 PRESSURE: 3442000 -133.01 150.532 2.72828 150.532 -84.7016 184.791 2.7285 184.791 -188.009 GPRESSURE: 3442000 -122.809 78.6535 -29.3477 137.557 -0.442965 187.421 49.0859 242.656 -187.394 PRESSAVG: 3442000 -15.0826 -10.6065 -48.5919 -10.6065 32.9985 -10.4469 -48.5919 -10.4469 -13.9407 GPRESSAVG: 3442000 -17.4908 -8.94781 -48.2334 -9.40802 35.7154 -10.7181 -48.4675 -13.3936 -14.5554 TIMING: 3442000 CPU: 10754, 0.00313234/step Wall: 10754, 0.00313235/step, 1.35561 hours remaining, 233.742188 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: 3442000 3982.5117 20727.0450 14387.1090 266.1651 -202974.8084 2544.1759 0.0000 0.0000 52245.7554 -108822.0462 300.2571 -161067.8016 -108454.7300 300.3559 -135.2401 -103.5485 764050.4744 1.3251 1.2231 PRESSURE: 3442200 -160.058 -189.555 175.337 -189.555 27.0997 -78.7099 175.337 -78.7094 -62.2376 GPRESSURE: 3442200 -87.9194 -149.763 120.387 -218.742 43.6427 -62.2058 27.8342 -74.9704 -69.048 PRESSAVG: 3442200 -28.5638 -57.1906 -31.9906 -57.1906 15.0706 -39.3368 -31.9906 -39.3367 31.5114 GPRESSAVG: 3442200 -28.3084 -56.7264 -32.4177 -59.1814 14.6722 -39.05 -30.2187 -37.3392 31.9521 TIMING: 3442200 CPU: 10754.6, 0.00313/step Wall: 10754.6, 0.00313/step, 1.35442 hours remaining, 233.742188 MB of memory in use. ENERGY: 3442200 4010.7245 20564.7430 14419.4279 249.3655 -203179.0772 2701.1676 0.0000 0.0000 52227.7612 -109005.8875 300.1537 -161233.6486 -108628.0403 299.5713 -65.0652 -37.7749 763183.4401 6.0061 6.1053 PRESSURE: 3442400 -71.6207 -72.4607 42.7135 -72.4607 -150.704 -154.457 42.714 -154.456 -122.33 GPRESSURE: 3442400 -162.422 -55.6319 87.3841 -107.714 -42.299 -148.159 -0.714841 -259.39 -53.1547 PRESSAVG: 3442400 -48.4097 2.7111 -43.5552 2.71111 62.7559 -41.1777 -43.5551 -41.1777 -10.8119 GPRESSAVG: 3442400 -49.0815 2.35231 -42.4364 4.25854 62.8149 -40.7276 -46.8556 -41.3789 -9.60044 TIMING: 3442400 CPU: 10755.2, 0.00313234/step Wall: 10755.2, 0.00313234/step, 1.35526 hours remaining, 233.742188 MB of memory in use. ENERGY: 3442400 4025.9019 20610.6830 14457.7211 276.0143 -202651.1755 2408.0424 0.0000 0.0000 51896.9927 -108975.8200 298.2527 -160872.8126 -108621.2187 299.8530 -114.8848 -85.9587 764702.4837 1.1781 1.3777 PRESSURE: 3442600 -198.429 -237.024 -147.304 -237.024 -96.8281 168.344 -147.304 168.343 -31.1737 GPRESSURE: 3442600 -177.518 -325.487 -22.0489 -131.228 29.4217 192.169 -128.199 177.524 -100.833 PRESSAVG: 3442600 -31.2023 -64.003 -22.3272 -64.003 26.4944 -5.05753 -22.3273 -5.05755 12.5188 GPRESSAVG: 3442600 -29.6293 -65.3298 -22.7047 -63.3476 25.6174 -4.40326 -19.2277 -6.70311 11.6016 TIMING: 3442600 CPU: 10755.9, 0.00313744/step Wall: 10755.9, 0.00313744/step, 1.35729 hours remaining, 233.742188 MB of memory in use. ENERGY: 3442600 3962.1372 20603.1617 14451.8519 254.2322 -203458.9796 2824.3101 0.0000 0.0000 52099.4589 -109263.8276 299.4163 -161363.2865 -108898.8783 299.6648 -108.8103 -82.9764 761954.0519 2.6036 2.5299 PRESSURE: 3442800 -56.5993 112.998 17.6 112.999 -116.527 63.6921 17.5999 63.6908 138.457 GPRESSURE: 3442800 -7.88488 46.1336 -18.7834 125.282 -113.95 128.696 -45.6364 -17.5676 186.127 PRESSAVG: 3442800 -65.2507 -39.1802 10.9616 -39.1802 70.8754 -57.5123 10.9616 -57.5122 -25.6348 GPRESSAVG: 3442800 -64.3738 -36.8715 10.0696 -41.6759 70.449 -58.4474 9.36747 -54.5761 -26.4272 TIMING: 3442800 CPU: 10756.5, 0.00314904/step Wall: 10756.5, 0.00314904/step, 1.36213 hours remaining, 233.742188 MB of memory in use. ENERGY: 3442800 4038.0698 20449.5228 14347.8801 250.7043 -203305.0127 2722.5627 0.0000 0.0000 52145.7903 -109350.4827 299.6826 -161496.2730 -108989.0979 299.0985 -11.5564 21.4306 763161.6392 -6.6700 -6.7840 PRESSURE: 3443000 218.7 -67.2697 116.542 -67.2693 642.266 -57.3208 116.542 -57.3218 311.417 GPRESSURE: 3443000 248.087 41.429 111.253 -11.2245 662.699 0.30066 -37.6878 -148.287 366.345 PRESSAVG: 3443000 -28.409 -30.6884 -1.43556 -30.6884 22.6668 19.9285 -1.43551 19.9284 39.9343 GPRESSAVG: 3443000 -27.9451 -31.8176 -0.349111 -29.9256 22.5144 18.828 -1.62344 17.7306 40.111 TIMING: 3443000 CPU: 10757.1, 0.00313683/step Wall: 10757.1, 0.00313683/step, 1.35668 hours remaining, 233.742188 MB of memory in use. ENERGY: 3443000 4012.8233 20484.8038 14401.0387 242.0149 -203758.5127 3116.7126 0.0000 0.0000 51970.2189 -109530.9004 298.6736 -161501.1193 -109174.7464 298.9015 390.7943 425.7103 761268.1459 11.3974 11.5601 PRESSURE: 3443200 -52.4229 -72.8134 -45.045 -72.8142 -156.059 -10.2617 -45.045 -10.2629 -335.799 GPRESSURE: 3443200 57.6933 -154.91 -65.1222 -154.249 -88.0741 78.8731 -8.82604 -6.78806 -445.158 PRESSAVG: 3443200 -45.5934 -12.4825 18.8789 -12.4825 61.4635 -13.1927 18.879 -13.1927 -1.29102 GPRESSAVG: 3443200 -46.7876 -12.7346 17.3449 -14.9599 61.8 -11.6471 18.4095 -14.0494 -0.813901 TIMING: 3443200 CPU: 10757.7, 0.00312993/step Wall: 10757.7, 0.00312993/step, 1.35352 hours remaining, 233.742188 MB of memory in use. ENERGY: 3443200 4019.6390 20427.3890 14340.3676 260.4183 -203326.2003 2526.1401 0.0000 0.0000 52146.5218 -109605.7245 299.6868 -161752.2463 -109251.4023 298.9247 -181.4270 -158.5128 762202.6915 4.8597 4.7328 PRESSURE: 3443400 -279.448 -81.88 -112.823 -81.8793 57.8911 125.963 -112.823 125.963 -541.357 GPRESSURE: 3443400 -227.131 -89.1216 -90.4015 -129.611 61.7419 188.227 -152.469 78.8997 -517.654 PRESSAVG: 3443400 -76.5749 -24.6407 -27.8876 -24.6407 90.0876 33.1686 -27.8876 33.1686 10.578 GPRESSAVG: 3443400 -76.5158 -24.5714 -28.0283 -21.6839 89.8819 33.4023 -26.5321 34.0503 11.0882 TIMING: 3443400 CPU: 10758.4, 0.00313174/step Wall: 10758.4, 0.00313174/step, 1.35413 hours remaining, 233.742188 MB of memory in use. ENERGY: 3443400 4002.0715 20425.7055 14447.0823 259.9590 -203381.3271 2554.6081 0.0000 0.0000 51998.1295 -109693.7713 298.8340 -161691.9008 -109333.0696 298.5207 -254.3046 -227.6811 760804.8899 8.0302 8.1514 PRESSURE: 3443600 -159.717 -105.827 20.886 -105.828 -221.972 169.461 20.8862 169.46 -18.5504 GPRESSURE: 3443600 -161.413 -4.26764 100.2 -46.068 -139.704 178.863 12.484 182.841 -23.9315 PRESSAVG: 3443600 -60.1926 13.0655 6.77792 13.0655 92.2026 31.574 6.77787 31.574 14.4249 GPRESSAVG: 3443600 -59.3839 13.0614 8.63666 11.2598 92.7033 32.4235 4.3246 31.7985 13.6646 TIMING: 3443600 CPU: 10759, 0.0031374/step Wall: 10759, 0.0031374/step, 1.3564 hours remaining, 233.742188 MB of memory in use. ENERGY: 3443600 3995.0187 20527.6256 14413.9770 263.4255 -203184.6906 2513.2701 0.0000 0.0000 51776.8829 -109694.4908 297.5625 -161471.3737 -109346.3656 298.5763 -133.4130 -108.3497 762389.9344 15.4783 15.6613 PRESSURE: 3443800 94.7483 -99.666 -149.079 -99.6664 178.592 -85.0059 -149.078 -85.0058 -117.717 GPRESSURE: 3443800 61.0252 -23.3809 -193.843 30.1521 212.63 -137.336 -133.847 -91.8195 -38.4806 PRESSAVG: 3443800 -29.1114 31.885 10.6008 31.885 -27.1191 29.1721 10.6009 29.1722 -19.5098 GPRESSAVG: 3443800 -30.2018 30.8606 9.7498 34.02 -27.0202 27.4244 13.5524 30.344 -18.4883 TIMING: 3443800 CPU: 10759.6, 0.00310716/step Wall: 10759.6, 0.00310716/step, 1.34316 hours remaining, 233.742188 MB of memory in use. ENERGY: 3443800 3994.3515 20347.5023 14397.1775 255.3940 -203807.9728 3150.5674 0.0000 0.0000 51839.2376 -109823.7424 297.9208 -161662.9800 -109468.1317 297.9523 51.8745 78.3915 760590.3842 -25.2467 -25.2368 PRESSURE: 3444000 -19.287 -25.1384 168.523 -25.1383 -69.3638 19.1267 168.524 19.1252 -280.939 GPRESSURE: 3444000 -69.6014 -20.8871 229.763 -151.127 -20.0766 65.2566 150.973 20.6376 -222.785 PRESSAVG: 3444000 17.7423 -6.95412 4.72649 -6.95416 60.9578 5.64085 4.72648 5.64085 6.8013 GPRESSAVG: 3444000 17.5048 -4.49968 6.1597 -10.1146 59.6922 7.69225 2.14686 5.54441 8.28998 TIMING: 3444000 CPU: 10760.2, 0.00313002/step Wall: 10760.2, 0.00313001/step, 1.35286 hours remaining, 233.742188 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: 3444000 3932.6024 20328.9296 14393.0054 244.4977 -202948.6337 2470.3294 0.0000 0.0000 51796.8559 -109782.4133 297.6772 -161579.2692 -109413.3554 298.1472 -123.1967 -104.1542 762456.3380 28.5005 28.4956 PRESSURE: 3444200 140.171 159.931 -98.5131 159.932 144.707 -58.6775 -98.5125 -58.6781 151.596 GPRESSURE: 3444200 147.287 260.964 7.578 135.036 172.671 -77.5683 -116.37 -109.126 171.691 PRESSAVG: 3444200 -27.1877 -3.08703 -3.43649 -3.08704 -21.0105 -5.46064 -3.43651 -5.46072 3.08814 GPRESSAVG: 3444200 -27.247 -2.77661 -5.05056 -2.00019 -19.9997 -6.32773 -3.614 -5.8428 2.06846 TIMING: 3444200 CPU: 10760.9, 0.0031274/step Wall: 10760.9, 0.0031274/step, 1.35156 hours remaining, 233.742188 MB of memory in use. ENERGY: 3444200 3934.9989 20484.2197 14395.5899 243.2985 -203344.0174 2596.6469 0.0000 0.0000 51996.8019 -109692.4617 298.8263 -161689.2636 -109331.6551 298.3490 145.4911 163.8827 761490.4270 -15.0367 -15.0594 LDB: ============= START OF LOAD BALANCING ============== 10773.3 LDB: ============== END OF LOAD BALANCING =============== 10773.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10773.3 LDB: ============= START OF LOAD BALANCING ============== 10773.7 LDB: Largest compute 7070 load 0.030870 is 15.8% of average load 0.195096 LDB: Average compute 0.004384 is 2.2% of average load 0.195096 LDB: TIME 10773.7 LOAD: AVG 0.195096 MAX 0.220117 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.211 MB LDB: TIME 10773.7 LOAD: AVG 0.195096 MAX 0.220117 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.211 MB LDB: TIME 10773.7 LOAD: AVG 0.195096 MAX 0.217105 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.211 MB LDB: ============== END OF LOAD BALANCING =============== 10773.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10773.7 PRESSURE: 3444400 165.354 -238.304 -13.9458 -238.305 485.054 167.628 -13.9462 167.629 460.476 GPRESSURE: 3444400 315.346 -278.058 12.0189 -297.252 429.897 173.46 46.0716 100.276 437.374 PRESSAVG: 3444400 18.4987 -54.393 -38.8558 -54.393 -19.137 -19.0436 -38.8559 -19.0435 5.58499 GPRESSAVG: 3444400 19.4478 -57.8755 -37.1031 -52.3665 -19.7457 -19.9668 -36.9208 -19.414 4.44989 TIMING: 3444400 CPU: 10761.5, 0.00319237/step Wall: 10761.5, 0.00319237/step, 1.37946 hours remaining, 234.957031 MB of memory in use. ENERGY: 3444400 4008.3716 20316.2142 14382.5353 234.8177 -203482.6864 2994.6974 0.0000 0.0000 51828.5560 -109717.4941 297.8594 -161546.0501 -109350.4085 297.8350 370.2948 394.2058 762040.9909 1.6489 1.3840 PRESSURE: 3444600 -138.747 33.2507 -141.103 33.2518 -269.416 -87.9467 -141.103 -87.9468 -230.001 GPRESSURE: 3444600 -57.0258 16.5299 -159.131 135.439 -211.633 -22.6494 -137.27 -103.938 -271.016 PRESSAVG: 3444600 52.2138 -55.1398 -10.6894 -55.1398 -6.7671 -28.194 -10.6894 -28.194 -9.13413 GPRESSAVG: 3444600 51.4737 -52.5102 -13.6245 -56.4121 -6.2 -27.8618 -10.0644 -27.5677 -8.29142 TIMING: 3444600 CPU: 10762.1, 0.00311416/step Wall: 10762.1, 0.00311416/step, 1.34549 hours remaining, 234.957031 MB of memory in use. ENERGY: 3444600 3993.2384 20541.4465 14369.0048 256.3092 -203605.9308 2924.4236 0.0000 0.0000 51815.7877 -109705.7207 297.7860 -161521.5084 -109357.1361 298.1197 -212.7213 -179.8918 763892.9378 12.1042 12.3274 PRESSURE: 3444800 -193.58 115.723 138.564 115.722 148.94 252.239 138.564 252.239 136.624 GPRESSURE: 3444800 -154.64 169.878 6.8114 88.1356 175.402 207.792 -137.493 229.202 168.148 PRESSAVG: 3444800 -22.1766 29.6161 9.08515 29.616 23.4754 -34.4368 9.08512 -34.4369 -7.57576 GPRESSAVG: 3444800 -20.3674 27.5592 10.4699 30.6154 23.1646 -34.5031 6.33483 -34.0493 -8.67802 TIMING: 3444800 CPU: 10762.7, 0.00311656/step Wall: 10762.7, 0.00311656/step, 1.34636 hours remaining, 234.957031 MB of memory in use. ENERGY: 3444800 4062.4836 20481.7856 14398.8311 259.8207 -203454.1126 2921.9493 0.0000 0.0000 51941.1339 -109388.1083 298.5064 -161329.2422 -109029.1853 298.8622 30.6614 62.9698 762725.9017 -2.0923 -1.9603 PRESSURE: 3445000 -466.773 13.6726 274.48 13.6718 -141.767 -149.469 274.48 -149.469 105.185 GPRESSURE: 3445000 -409.049 0.021683 258.005 12.2175 -27.5969 -137.682 395.911 -220.486 45.6692 PRESSAVG: 3445000 -61.751 -11.9837 19.9323 -11.9837 19.6849 20.7275 19.9323 20.7276 23.744 GPRESSAVG: 3445000 -62.4932 -12.9614 18.3095 -11.3935 19.3957 21.6916 22.1749 19.2915 24.7925 TIMING: 3445000 CPU: 10763.4, 0.00311226/step Wall: 10763.4, 0.00311226/step, 1.34433 hours remaining, 234.957031 MB of memory in use. ENERGY: 3445000 3990.6112 20507.5723 14333.7560 247.3691 -202707.4451 2243.7802 0.0000 0.0000 51958.9327 -109425.4235 298.6087 -161384.3563 -109063.9888 298.5559 -167.7850 -130.3257 761840.6854 -6.1074 -6.1017 PRESSURE: 3445200 -205.532 -61.7617 -25.2543 -61.7623 -302.74 -280.045 -25.254 -280.045 -329.614 GPRESSURE: 3445200 -157.831 -5.41119 57.9059 -75.3124 -326.649 -249.778 -138.256 -346.982 -256.876 PRESSAVG: 3445200 -49.7775 -39.0694 20.6855 -39.0694 19.1388 -5.75702 20.6855 -5.75703 11.6638 GPRESSAVG: 3445200 -50.1097 -37.0646 22.4824 -40.1575 20.068 -5.98871 20.6599 -5.2901 11.6946 TIMING: 3445200 CPU: 10764, 0.00314019/step Wall: 10764, 0.00314019/step, 1.35621 hours remaining, 234.957031 MB of memory in use. ENERGY: 3445200 4151.3284 20454.2765 14461.0483 246.0984 -202972.2645 2426.5042 0.0000 0.0000 52048.1910 -109184.8178 299.1217 -161233.0088 -108820.9207 299.1458 -279.2952 -247.1187 762895.5028 -6.3250 -6.1157 PRESSURE: 3445400 -1.0895 -140.205 76.1589 -140.205 39.7645 295.663 76.1588 295.663 318.744 GPRESSURE: 3445400 26.9143 -111.301 102.395 -273.281 47.5204 275.364 16.0054 278.787 353.004 PRESSAVG: 3445400 -29.0557 -52.0398 -2.26295 -52.0398 -27.2366 -16.8331 -2.26293 -16.8332 -15.2435 GPRESSAVG: 3445400 -29.6834 -50.5836 -6.07803 -52.8159 -26.3299 -18.3599 -1.40259 -14.7611 -15.6664 TIMING: 3445400 CPU: 10764.6, 0.00313071/step Wall: 10764.6, 0.00313071/step, 1.35194 hours remaining, 234.957031 MB of memory in use. ENERGY: 3445400 3973.7122 20457.6263 14395.3406 232.8305 -202928.7657 2581.1034 0.0000 0.0000 51936.5095 -109351.6432 298.4798 -161288.1527 -108978.0661 299.3101 119.1398 142.4795 762915.3914 -23.8453 -23.8932 PRESSURE: 3445600 33.3109 61.1402 -98.491 61.1393 -0.354741 -77.4759 -98.4903 -77.4766 -132.791 GPRESSURE: 3445600 -25.0967 -22.6451 -106.481 -119.805 124.063 -57.7518 -55.4909 -23.0848 -121.873 PRESSAVG: 3445600 -24.6883 -36.9893 4.4646 -36.9895 11.1029 -7.02553 4.46463 -7.02556 -13.5658 GPRESSAVG: 3445600 -24.9505 -38.734 6.33133 -37.6516 11.1106 -6.72809 2.92085 -7.87378 -13.1597 TIMING: 3445600 CPU: 10765.2, 0.0031272/step Wall: 10765.2, 0.0031272/step, 1.35026 hours remaining, 234.957031 MB of memory in use. ENERGY: 3445600 3967.3492 20515.8665 14379.1349 249.2643 -202915.8208 2505.6462 0.0000 0.0000 52017.2850 -109281.2747 298.9441 -161298.5597 -108915.7306 298.9703 -33.2784 -7.6353 763173.4126 -9.0504 -8.9999 PRESSURE: 3445800 -25.9615 -91.0536 -112.057 -91.0533 585.863 -61.6924 -112.057 -61.6929 18.0243 GPRESSURE: 3445800 -7.47451 -16.8375 -68.5798 -30.7857 587.015 -165.784 -78.4399 -141.814 80.1804 PRESSAVG: 3445800 -28.4399 -7.2453 -26.3749 -7.24529 -28.5928 -11.5823 -26.3749 -11.5824 -11.6836 GPRESSAVG: 3445800 -28.003 -5.76848 -26.0982 -7.17858 -30.5214 -11.6018 -25.382 -10.6158 -10.4493 TIMING: 3445800 CPU: 10765.9, 0.00312678/step Wall: 10765.9, 0.00312678/step, 1.3499 hours remaining, 234.957031 MB of memory in use. ENERGY: 3445800 3945.9240 20594.6554 14330.9417 243.3158 -203029.9472 2766.6835 0.0000 0.0000 52151.7511 -108996.6758 299.7168 -161148.4269 -108633.5887 299.0388 192.6421 219.9071 763129.0140 -22.9054 -22.9912 PRESSURE: 3446000 -500.84 154.802 206.551 154.802 -37.7794 -19.6425 206.55 -19.6415 -320.033 GPRESSURE: 3446000 -462.001 89.1391 219.99 72.3873 10.932 -38.3798 193.963 182.721 -340.22 PRESSAVG: 3446000 -19.8813 23.553 38.0576 23.5531 67.4601 -0.00666418 38.0577 -0.00660684 -5.91279 GPRESSAVG: 3446000 -19.8595 22.4647 38.5188 23.4545 69.234 0.919712 37.9545 -0.394499 -7.26454 TIMING: 3446000 CPU: 10766.5, 0.00313072/step Wall: 10766.5, 0.00313072/step, 1.35143 hours remaining, 234.957031 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: 3446000 3993.3756 20569.7115 14355.9124 246.9309 -202550.0948 2274.2826 0.0000 0.0000 52301.2475 -108808.6341 300.5760 -161109.8817 -108440.5575 299.8318 -286.2175 -263.7632 763023.2047 13.8887 14.0366 PRESSURE: 3446200 103.449 -16.9064 -131.917 -16.9064 -175.38 134.062 -131.917 134.062 46.0414 GPRESSURE: 3446200 186.853 -10.6019 -138.281 -61.6266 -116.794 63.9913 -77.6894 107.586 -12.8437 PRESSAVG: 3446200 25.192 -16.1544 -8.83794 -16.1544 -12.819 -28.0774 -8.83795 -28.0774 -27.5726 GPRESSAVG: 3446200 23.7293 -13.2316 -7.67542 -16.1075 -12.2379 -29.2549 -7.24644 -29.0091 -26.3902 TIMING: 3446200 CPU: 10767.1, 0.00312419/step Wall: 10767.1, 0.00312419/step, 1.34843 hours remaining, 234.957031 MB of memory in use. ENERGY: 3446200 3956.7095 20652.7741 14427.3211 255.7962 -202862.9926 2587.7048 0.0000 0.0000 52046.2066 -108936.4802 299.1103 -160982.6868 -108571.4181 300.2615 -8.6301 19.0716 763746.5432 -5.0665 -4.9663 PRESSURE: 3446400 -174.792 76.807 38.58 76.8069 -111.462 -101.648 38.5799 -101.649 -141.78 GPRESSURE: 3446400 -44.2925 81.9882 67.0131 101.058 -124.928 -60.2422 63.7427 -121.383 -167.945 PRESSAVG: 3446400 56.4732 -58.1005 -15.0178 -58.1005 -32.0095 19.6913 -15.0177 19.6914 0.0849812 GPRESSAVG: 3446400 57.5773 -60.8928 -15.6455 -57.5105 -33.105 19.425 -13.0781 17.4814 -0.341059 TIMING: 3446400 CPU: 10767.7, 0.00311796/step Wall: 10767.7, 0.00311796/step, 1.34557 hours remaining, 234.957031 MB of memory in use. ENERGY: 3446400 4027.1187 20626.8133 14395.8878 241.9659 -203082.8133 2523.2550 0.0000 0.0000 52272.7714 -108995.0014 300.4123 -161267.7727 -108637.4385 300.1083 -142.6777 -112.3887 763505.4441 8.1829 8.0438 PRESSURE: 3446600 229.825 37.8937 -14.353 37.894 -270.318 -268.021 -14.3522 -268.021 -72.8671 GPRESSURE: 3446600 152.448 81.3178 96.5542 -53.6555 -208.011 -237.254 -101.008 -94.3382 -8.48232 PRESSAVG: 3446600 -4.81994 18.7919 5.89728 18.7919 4.94091 -59.5579 5.89726 -59.5579 -2.60851 GPRESSAVG: 3446600 -3.99174 20.491 6.68356 19.0124 4.96082 -58.1673 1.40586 -55.9508 -2.45664 TIMING: 3446600 CPU: 10768.4, 0.00312195/step Wall: 10768.4, 0.00312195/step, 1.34712 hours remaining, 234.957031 MB of memory in use. ENERGY: 3446600 3984.4633 20625.8497 14385.0890 244.3103 -203072.4708 2752.9613 0.0000 0.0000 52003.5005 -109076.2967 298.8648 -161079.7972 -108714.2303 299.6704 -37.7867 -21.3484 764181.7263 -0.8292 -0.4959 PRESSURE: 3446800 -264.716 103.565 -203.049 103.565 302.135 -9.76524 -203.05 -9.76546 -263.957 GPRESSURE: 3446800 -43.3892 -7.6095 -117.896 72.8668 200.171 18.656 -82.8588 -159.278 -295.069 PRESSAVG: 3446800 39.4424 -3.02089 -2.16782 -3.02086 -41.1295 -72.0453 -2.16783 -72.0453 -5.5624 GPRESSAVG: 3446800 39.7864 -3.99332 -2.05151 -5.18513 -42.4386 -72.4056 0.862713 -71.819 -4.87846 TIMING: 3446800 CPU: 10769, 0.00313911/step Wall: 10769, 0.00313911/step, 1.35435 hours remaining, 234.957031 MB of memory in use. ENERGY: 3446800 3964.0906 20430.9976 14392.9779 257.8143 -202974.4548 2571.1301 0.0000 0.0000 52121.7100 -109235.7343 299.5442 -161357.4444 -108865.8799 299.4119 -75.5125 -46.0959 763759.7543 -2.4165 -2.5102 PRESSURE: 3447000 -192.24 -58.7009 -75.1004 -58.7013 41.4285 47.1487 -75.1002 47.1488 78.0573 GPRESSURE: 3447000 -167.197 -117.318 -115.503 -82.0555 82.1788 93.7268 11.8758 -19.3608 123.37 PRESSAVG: 3447000 -14.8602 -6.77438 -0.578361 -6.77435 -4.23153 -38.2466 -0.578305 -38.2466 -23.0042 GPRESSAVG: 3447000 -15.3705 -6.11369 -0.793441 -5.22295 -2.13751 -38.2777 -1.82241 -40.6175 -24.5998 TIMING: 3447000 CPU: 10769.6, 0.0031213/step Wall: 10769.6, 0.0031213/step, 1.34649 hours remaining, 234.957031 MB of memory in use. ENERGY: 3447000 4011.3140 20581.7667 14416.4824 249.3631 -202701.8587 2446.2855 0.0000 0.0000 51925.7081 -109070.9388 298.4178 -160996.6469 -108709.8142 299.3429 -24.2515 12.7842 763353.0097 -14.0320 -14.0359 PRESSURE: 3447200 264.872 183.944 82.4208 183.945 -319.657 -46.9201 82.4212 -46.9197 -275.436 GPRESSURE: 3447200 177.083 42.3416 62.1115 149.316 -201.908 108.496 73.216 -51.7633 -206.859 PRESSAVG: 3447200 17.1814 10.6294 7.97325 10.6294 -22.5066 -47.9997 7.97324 -47.9998 29.437 GPRESSAVG: 3447200 17.1121 9.14052 7.91446 11.7667 -22.7897 -49.3806 9.00317 -47.5795 30.0139 TIMING: 3447200 CPU: 10770.2, 0.00311631/step Wall: 10770.2, 0.00311631/step, 1.34417 hours remaining, 234.957031 MB of memory in use. ENERGY: 3447200 3974.5151 20356.1814 14416.9296 250.2991 -203126.7017 2712.8322 0.0000 0.0000 52528.0940 -108887.8503 301.8797 -161415.9443 -108515.3896 299.8394 -110.0736 -77.2283 763327.1881 8.0372 8.1121 PRESSURE: 3447400 -224.98 -16.6469 145.239 -16.647 376.786 130.632 145.239 130.631 305.825 GPRESSURE: 3447400 -138.127 -156.631 222.915 -139.641 394.843 106.656 144.905 99.5468 279.961 PRESSAVG: 3447400 -29.7721 -14.3065 32.0162 -14.3064 38.0618 -58.6749 32.0162 -58.6747 -24.0862 GPRESSAVG: 3447400 -31.0474 -15.0548 32.3037 -16.0307 38.6229 -59.009 27.5902 -58.6641 -24.2927 TIMING: 3447400 CPU: 10770.9, 0.00311929/step Wall: 10770.9, 0.00311929/step, 1.34528 hours remaining, 234.957031 MB of memory in use. ENERGY: 3447400 3896.9445 20467.0989 14418.0468 238.1994 -202762.2520 2703.0034 0.0000 0.0000 52314.9905 -108723.9686 300.6550 -161038.9590 -108363.2350 300.4222 152.5436 178.8926 762024.2549 -5.2655 -5.5724 PRESSURE: 3447600 321.199 19.5803 -53.153 19.5798 -86.7969 -75.5614 -53.1538 -75.5603 15.2333 GPRESSURE: 3447600 349.519 98.5117 -42.8356 49.9068 -20.8089 -141.419 30.4079 47.1111 -8.94045 PRESSAVG: 3447600 21.8195 -8.64697 27.507 -8.64692 16.7745 -40.6481 27.5071 -40.648 12.7944 GPRESSAVG: 3447600 21.2661 -6.44575 27.7264 -7.51278 16.9514 -40.2447 30.2916 -38.8151 12.9261 TIMING: 3447600 CPU: 10771.5, 0.00311441/step Wall: 10771.5, 0.00311441/step, 1.343 hours remaining, 234.957031 MB of memory in use. ENERGY: 3447600 4030.2373 20594.4505 14472.0680 235.8835 -203035.2635 2904.0222 0.0000 0.0000 51868.7094 -108929.8926 298.0902 -160798.6020 -108577.6682 300.4175 83.2118 106.5898 763006.9665 17.1295 17.0479 PRESSURE: 3447800 159.99 -370.674 11.1582 -370.674 102.31 5.97275 11.1577 5.97118 -158.656 GPRESSURE: 3447800 178.47 -398.962 -0.196843 -388.917 80.6821 -93.657 -9.33084 20.5567 -77.1734 PRESSAVG: 3447800 -9.71259 -59.0138 23.1124 -59.0138 -23.1984 -65.1034 23.1124 -65.1035 1.64819 GPRESSAVG: 3447800 -9.4616 -61.5082 22.9364 -58.8575 -23.4673 -64.2798 22.1839 -66.4189 2.07382 TIMING: 3447800 CPU: 10772.1, 0.00311435/step Wall: 10772.1, 0.00311435/step, 1.3428 hours remaining, 234.957031 MB of memory in use. ENERGY: 3447800 3932.6862 20482.1916 14433.4748 243.7933 -202953.5655 2627.7500 0.0000 0.0000 52112.9903 -109120.6793 299.4941 -161233.6697 -108755.9816 299.6343 34.5480 60.6595 762626.1761 -10.4209 -10.2850 PRESSURE: 3448000 -17.1863 57.489 -46.5195 57.489 178.833 2.10582 -46.5208 2.10531 419.943 GPRESSURE: 3448000 48.9243 -5.79106 39.8608 -42.0605 228.482 58.1813 -34.8322 -73.5452 378.146 PRESSAVG: 3448000 -42.1062 6.28199 31.5019 6.28197 31.9046 -18.8476 31.5018 -18.8476 19.706 GPRESSAVG: 3448000 -42.0754 8.94783 31.3119 5.53739 32.8195 -18.3203 33.2117 -20.5135 18.0998 TIMING: 3448000 CPU: 10772.7, 0.00313402/step Wall: 10772.7, 0.00313402/step, 1.35111 hours remaining, 234.957031 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: 3448000 3919.5653 20488.3549 14429.5614 234.4298 -203456.0858 2864.2288 0.0000 0.0000 52500.2343 -109019.7113 301.7196 -161519.9456 -108644.4323 299.8794 193.8634 218.5175 762306.1194 3.1681 2.9480 PRESSURE: 3448200 -288.314 -68.8839 -67.5124 -68.8848 -87.4489 -180.879 -67.512 -180.879 15.9244 GPRESSURE: 3448200 -263.644 -17.6767 29.5623 -97.9499 25.1721 -258.914 -194.537 -133.478 -21.13 PRESSAVG: 3448200 -86.096 -64.5476 20.9789 -64.5476 88.5665 -32.7699 20.9789 -32.7699 -23.6878 GPRESSAVG: 3448200 -86.9408 -64.6852 21.3926 -64.6037 88.2881 -33.4127 17.5021 -30.5465 -22.3081 TIMING: 3448200 CPU: 10773.4, 0.00314594/step Wall: 10773.4, 0.00314595/step, 1.35608 hours remaining, 234.957031 MB of memory in use. ENERGY: 3448200 3947.4738 20449.6563 14443.9654 252.6085 -202672.8325 2165.2990 0.0000 0.0000 52352.0070 -109061.8224 300.8677 -161413.8293 -108691.0428 299.6430 -119.9461 -86.5341 763221.8561 -7.0724 -6.9869 LDB: ============= START OF LOAD BALANCING ============== 10785.9 LDB: ============== END OF LOAD BALANCING =============== 10785.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10785.9 LDB: ============= START OF LOAD BALANCING ============== 10786.2 LDB: Largest compute 7077 load 0.030516 is 15.6% of average load 0.195145 LDB: Average compute 0.004401 is 2.3% of average load 0.195145 LDB: TIME 10786.2 LOAD: AVG 0.195145 MAX 0.21964 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.188 MB LDB: TIME 10786.2 LOAD: AVG 0.195145 MAX 0.21964 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.191 MB LDB: TIME 10786.2 LOAD: AVG 0.195145 MAX 0.21337 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.191 MB LDB: ============== END OF LOAD BALANCING =============== 10786.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10786.2 PRESSURE: 3448400 -222.224 -107.356 80.5842 -107.356 -329.582 45.9328 80.5846 45.9318 -220.213 GPRESSURE: 3448400 -261.164 -144.126 40.4022 -86.9548 -229.593 37.7143 105.978 -15.0852 -198.729 PRESSAVG: 3448400 -44.5178 -14.9208 -16.987 -14.9209 85.518 -36.5763 -16.987 -36.5762 6.2194 GPRESSAVG: 3448400 -44.3754 -17.7315 -17.8158 -15.0926 86.5159 -37.0756 -14.042 -35.7752 5.77772 TIMING: 3448400 CPU: 10774, 0.00322894/step Wall: 10774, 0.00322894/step, 1.39167 hours remaining, 235.214844 MB of memory in use. ENERGY: 3448400 4106.0081 20451.3223 14443.2397 250.3009 -203112.4541 2533.3885 0.0000 0.0000 52358.3402 -108969.8544 300.9041 -161328.1946 -108595.1961 299.7750 -257.3395 -229.8282 763198.0247 15.7399 15.9727 PRESSURE: 3448600 185.773 124.452 -106.787 124.453 -24.5641 -18.2857 -106.787 -18.2848 -263.018 GPRESSURE: 3448600 146.424 37.8095 -126.11 171.786 55.0248 30.6612 -39.9311 -57.426 -229.342 PRESSAVG: 3448600 -27.3447 -78.9411 15.9094 -78.9411 38.624 -16.7079 15.9094 -16.7079 -10.5226 GPRESSAVG: 3448600 -26.0265 -76.9513 16.41 -78.6737 37.2525 -16.9463 17.5617 -17.0375 -9.97978 TIMING: 3448600 CPU: 10774.6, 0.00311388/step Wall: 10774.6, 0.00311388/step, 1.34191 hours remaining, 235.214844 MB of memory in use. ENERGY: 3448600 4032.0738 20445.0347 14463.3537 257.5270 -203403.1482 2853.5192 0.0000 0.0000 52294.3793 -109057.2605 300.5365 -161351.6399 -108687.9580 299.7788 -33.9364 -9.2979 763014.5960 0.2522 0.4154 PRESSURE: 3448800 -169.335 5.70624 -146.365 5.70595 -38.5703 67.0053 -146.364 67.005 -182.241 GPRESSURE: 3448800 -151.073 110.954 -71.5442 71.3153 -54.7932 91.9842 -126.308 82.9829 -101.37 PRESSAVG: 3448800 38.3905 -51.9594 5.78131 -51.9594 6.11448 14.5488 5.78133 14.5487 -3.43742 GPRESSAVG: 3448800 38.6095 -52.9492 4.76381 -52.2424 6.40293 15.8946 4.3455 13.3128 -3.89791 TIMING: 3448800 CPU: 10775.3, 0.00312076/step Wall: 10775.3, 0.00312076/step, 1.3447 hours remaining, 235.214844 MB of memory in use. ENERGY: 3448800 4001.8008 20446.2891 14369.9657 234.0567 -203172.2954 2739.9264 0.0000 0.0000 52415.4074 -108964.8492 301.2321 -161380.2566 -108595.4149 299.5989 -130.0487 -102.4120 764493.8047 13.6892 13.7048 PRESSURE: 3449000 -130.162 -204.658 -51.3808 -204.658 26.8654 229.324 -51.3799 229.324 -542.673 GPRESSURE: 3449000 -8.71567 -261.619 -35.1954 -145.04 -47.4967 242.03 32.6029 224.894 -510.974 PRESSAVG: 3449000 -97.7346 -54.6485 38.9587 -54.6485 20.2811 19.1368 38.9587 19.1368 3.9677 GPRESSAVG: 3449000 -98.1679 -55.4775 38.8309 -52.912 19.6999 18.4678 39.2301 19.7661 4.97789 TIMING: 3449000 CPU: 10775.9, 0.00312049/step Wall: 10775.9, 0.00312049/step, 1.34441 hours remaining, 235.214844 MB of memory in use. ENERGY: 3449000 4004.6864 20515.2946 14371.9708 241.0363 -202911.0662 2766.0440 0.0000 0.0000 51906.7137 -109105.3204 298.3086 -161012.0340 -108734.0651 299.2778 -215.3233 -189.0621 765074.2208 -24.4953 -24.4967 PRESSURE: 3449200 -55.6447 -37.7797 468.585 -37.7806 199.655 -322.179 468.585 -322.179 -68.4548 GPRESSURE: 3449200 -15.8203 28.7773 249.932 -40.0131 175.914 -342.18 544.402 -357.838 -1.77648 PRESSAVG: 3449200 26.2224 -21.5062 -25.7626 -21.5063 21.4444 -31.702 -25.7627 -31.702 -9.7366 GPRESSAVG: 3449200 26.8976 -20.9478 -25.7328 -22.2153 20.7223 -31.2965 -26.9463 -31.0126 -9.34486 TIMING: 3449200 CPU: 10776.5, 0.00314774/step Wall: 10776.5, 0.00314774/step, 1.35598 hours remaining, 235.214844 MB of memory in use. ENERGY: 3449200 4006.1211 20495.0006 14308.8871 253.4309 -202979.3402 2732.6563 0.0000 0.0000 52174.4450 -109008.7992 299.8473 -161183.2442 -108649.6693 299.6009 25.1851 52.7724 764138.6957 12.6434 12.7584 PRESSURE: 3449400 -5.53493 -161.637 -80.3636 -161.637 339.326 112.013 -80.3635 112.014 23.4531 GPRESSURE: 3449400 -39.0089 -46.4816 -76.403 -104.644 432.186 114.755 -180.597 46.4594 48.015 PRESSAVG: 3449400 23.1183 -29.3261 -21.2524 -29.3262 -7.31748 -42.6795 -21.2525 -42.6794 6.64457 GPRESSAVG: 3449400 21.4872 -30.4781 -20.8187 -26.9558 -5.6467 -42.2486 -19.3848 -44.1789 6.20158 TIMING: 3449400 CPU: 10777.1, 0.00311307/step Wall: 10777.1, 0.00311307/step, 1.34087 hours remaining, 235.214844 MB of memory in use. ENERGY: 3449400 4005.6921 20406.7821 14323.8983 232.4610 -203060.5200 2946.3266 0.0000 0.0000 52055.1248 -109090.2350 299.1615 -161145.3599 -108719.8874 299.3451 119.0815 147.0639 764015.5025 7.4818 7.3474 PRESSURE: 3449600 -227.589 -37.5658 114.675 -37.5663 -196.395 -96.675 114.675 -96.675 215.317 GPRESSURE: 3449600 -90.6727 -41.9099 183.364 14.1959 -187.626 -121.275 164.807 -55.6682 135.825 PRESSAVG: 3449600 -14.2765 -10.9238 23.6148 -10.9238 -4.00747 -29.5058 23.6149 -29.5058 9.12428 GPRESSAVG: 3449600 -12.731 -7.70054 25.619 -14.6377 -4.95103 -31.9783 20.1389 -27.2947 7.87608 TIMING: 3449600 CPU: 10777.8, 0.00312247/step Wall: 10777.8, 0.00312247/step, 1.34474 hours remaining, 235.281250 MB of memory in use. ENERGY: 3449600 3965.8185 20476.1573 14358.4747 255.5783 -203191.6111 2735.9864 0.0000 0.0000 52228.4004 -109171.1955 300.1573 -161399.5959 -108802.9267 299.1451 -69.5555 -47.4913 763649.4955 -3.0532 -3.2687 PRESSURE: 3449800 -114.684 -12.6473 -56.8346 -12.6476 -140.724 -121.68 -56.8349 -121.681 -442.596 GPRESSURE: 3449800 -162.42 -47.9239 -125.231 27.068 -55.0105 -57.0943 77.6126 -154.283 -384.847 PRESSAVG: 3449800 18.6687 -31.9902 32.8412 -31.9902 22.2354 -17.5858 32.8413 -17.5859 -9.15336 GPRESSAVG: 3449800 19.1573 -33.2931 28.6391 -32.1162 21.1831 -17.4743 35.6894 -19.9876 -8.14435 TIMING: 3449800 CPU: 10778.4, 0.00313175/step Wall: 10778.4, 0.00313175/step, 1.34857 hours remaining, 235.281250 MB of memory in use. ENERGY: 3449800 4056.0673 20446.7761 14446.1831 234.0914 -202855.7726 2613.0507 0.0000 0.0000 51844.4065 -109215.1975 297.9505 -161059.6040 -108859.0272 298.9027 -232.6681 -200.7593 765112.7155 10.5836 10.7320 PRESSURE: 3450000 114.674 -100.884 132.481 -100.884 -61.0815 -46.2184 132.479 -46.2182 -247.933 GPRESSURE: 3450000 104.698 42.2551 123.883 -45.5139 79.7511 -59.1221 166.029 -80.0502 -318.968 PRESSAVG: 3450000 -65.9196 -6.48281 12.1406 -6.48274 27.1147 -1.83604 12.1406 -1.83604 -5.85097 GPRESSAVG: 3450000 -66.184 -5.26093 15.1612 -6.89567 28.4901 -0.795644 12.4244 -0.658684 -6.57823 TIMING: 3450000 CPU: 10779, 0.00310278/step Wall: 10779, 0.00310278/step, 1.33592 hours remaining, 235.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3450000 3969.0117 20443.0981 14346.7030 242.5431 -203176.0120 2612.5278 0.0000 0.0000 52061.1247 -109501.0036 299.1960 -161562.1283 -109149.2977 298.5264 -64.7804 -44.8398 763839.2976 -14.8853 -14.7574 PRESSURE: 3450200 -289.732 -20.7325 16.3652 -20.7315 -97.7561 202.109 16.3646 202.109 -364.742 GPRESSURE: 3450200 -233.634 -28.2289 73.5544 -53.8539 -66.1983 195.584 -13.156 76.6343 -385.822 PRESSAVG: 3450200 -36.6005 -20.5882 -0.819269 -20.5882 -7.69239 43.5766 -0.819309 43.5765 -6.42409 GPRESSAVG: 3450200 -38.3848 -23.0673 -1.29025 -19.7939 -7.69643 43.6998 -3.17172 43.1783 -4.58783 TIMING: 3450200 CPU: 10779.6, 0.00310991/step Wall: 10779.6, 0.00310991/step, 1.33882 hours remaining, 235.281250 MB of memory in use. ENERGY: 3450200 3973.4319 20484.5258 14358.0470 241.6235 -202892.8817 2297.3969 0.0000 0.0000 52256.1762 -109281.6804 300.3170 -161537.8565 -108920.3741 299.0633 -250.7436 -228.5513 764320.8555 -16.9057 -16.8897 PRESSURE: 3450400 146.607 74.374 38.5978 74.3743 -390.357 -209.752 38.5974 -209.752 -348.621 GPRESSURE: 3450400 144.69 197.369 -24.8 31.2122 -279.63 -101.586 2.22329 -285.747 -350.299 PRESSAVG: 3450400 15.1012 -12.9797 -31.1299 -12.9797 -15.4343 -4.74807 -31.13 -4.74804 8.38603 GPRESSAVG: 3450400 15.556 -12.4912 -31.3434 -13.0239 -14.6177 -4.44955 -30.554 -4.39211 7.25274 TIMING: 3450400 CPU: 10780.3, 0.00311412/step Wall: 10780.3, 0.00311412/step, 1.34045 hours remaining, 235.281250 MB of memory in use. ENERGY: 3450400 4014.7808 20467.0692 14440.0716 235.0267 -203117.9336 2630.9681 0.0000 0.0000 51924.1019 -109405.9153 298.4085 -161330.0172 -109047.5875 298.8936 -197.4570 -161.7463 763828.6817 2.6843 2.7303 PRESSURE: 3450600 68.2002 -139.099 3.13441 -139.099 208.712 210.545 3.13479 210.544 -162.567 GPRESSURE: 3450600 75.6993 -153.319 -48.4201 -68.6155 258.524 204.7 15.2634 190.978 -160.362 PRESSAVG: 3450600 -7.58177 -34.1307 -12.4292 -34.1307 -13.4589 0.123349 -12.4293 0.123292 -19.2874 GPRESSAVG: 3450600 -5.62102 -34.5114 -14.4025 -32.3106 -14.1195 -0.0693836 -12.6319 -1.49197 -20.8969 TIMING: 3450600 CPU: 10780.9, 0.00312059/step Wall: 10780.9, 0.0031206/step, 1.34307 hours remaining, 235.281250 MB of memory in use. ENERGY: 3450600 3964.3502 20416.7054 14351.1394 234.0263 -203276.4138 2827.4136 0.0000 0.0000 52135.0558 -109347.7231 299.6209 -161482.7788 -108988.0748 298.9307 38.1151 57.9538 762864.9543 -13.4427 -13.5458 PRESSURE: 3450800 41.1761 -86.4657 -39.7755 -86.4662 -54.1479 29.5382 -39.7748 29.5394 -255.838 GPRESSURE: 3450800 28.0579 -77.0567 -66.9997 -128.422 -27.0518 -37.6946 -36.3163 6.67512 -183.332 PRESSAVG: 3450800 -22.404 -29.9127 9.48428 -29.9128 27.1693 29.7555 9.48424 29.7553 -10.3879 GPRESSAVG: 3450800 -23.0033 -29.2914 12.4893 -29.4107 27.3017 30.9611 9.2762 29.8561 -9.56962 TIMING: 3450800 CPU: 10781.5, 0.00312024/step Wall: 10781.5, 0.00312024/step, 1.34274 hours remaining, 235.281250 MB of memory in use. ENERGY: 3450800 3942.0719 20439.6543 14368.4943 236.3788 -203207.5494 2668.1604 0.0000 0.0000 52119.6311 -109433.1586 299.5322 -161552.7898 -109059.7471 299.0000 -89.6033 -60.7755 764134.3857 -1.8742 -1.7571 PRESSURE: 3451000 50.139 -56.0326 -293.492 -56.033 486.963 212.998 -293.491 212.998 -32.3537 GPRESSURE: 3451000 141.058 40.1459 -334.473 -8.03474 491.953 233.838 -264.582 221.129 -43.8674 PRESSAVG: 3451000 24.8625 -41.1209 6.63406 -41.1209 19.0842 27.7877 6.63401 27.7876 -5.36601 GPRESSAVG: 3451000 24.4534 -42.8273 5.62358 -42.9592 18.6189 26.6875 7.95101 28.5576 -4.28522 TIMING: 3451000 CPU: 10782.1, 0.00312474/step Wall: 10782.1, 0.00312474/step, 1.34451 hours remaining, 235.281250 MB of memory in use. ENERGY: 3451000 3971.1214 20400.5391 14344.1142 244.8286 -203450.5691 3087.3412 0.0000 0.0000 52099.3466 -109303.2780 299.4157 -161402.6246 -108942.3998 299.0666 168.2495 196.3812 761549.2189 12.8602 12.9290 PRESSURE: 3451200 -56.4161 10.375 231.75 10.375 -24.2718 166.494 231.75 166.494 -36.5319 GPRESSURE: 3451200 -33.035 85.2346 251.604 -22.463 19.158 148.205 240.649 89.3853 -15.3384 PRESSAVG: 3451200 -48.4596 -38.7128 1.50477 -38.7128 -9.55413 12.8475 1.50483 12.8476 -19.5494 GPRESSAVG: 3451200 -48.3151 -37.4891 2.13214 -37.7043 -9.46121 11.3309 -0.128448 12.0261 -19.4301 TIMING: 3451200 CPU: 10782.8, 0.00311807/step Wall: 10782.8, 0.00311807/step, 1.34146 hours remaining, 235.281250 MB of memory in use. ENERGY: 3451200 4040.6119 20366.6717 14353.1821 243.2258 -202865.0833 2680.9902 0.0000 0.0000 52117.6028 -109062.7988 299.5206 -161180.4016 -108713.5968 298.9021 -39.0732 -9.7385 763577.6232 -25.8544 -25.7355 PRESSURE: 3451400 -134.456 253.313 -220.127 253.314 20.0583 -97.0113 -220.127 -97.0118 -79.4284 GPRESSURE: 3451400 3.64203 164.727 -200.944 166.516 -9.11069 -63.2871 -167.157 -148.137 -119.131 PRESSAVG: 3451400 7.09864 -3.70733 -0.217087 -3.70727 -44.0602 -2.13577 -0.217105 -2.13575 -9.90371 GPRESSAVG: 3451400 6.9344 -5.0342 -0.590401 -3.78914 -43.3195 -0.313513 1.66916 -2.5597 -10.3455 TIMING: 3451400 CPU: 10783.4, 0.00312847/step Wall: 10783.4, 0.00312847/step, 1.34576 hours remaining, 235.281250 MB of memory in use. ENERGY: 3451400 3938.3375 20402.5261 14407.8197 262.7494 -202994.9756 2738.6505 0.0000 0.0000 52134.2843 -109110.6080 299.6164 -161244.8924 -108748.3561 299.7311 -64.6087 -41.5331 762045.2194 -15.6218 -15.5768 PRESSURE: 3451600 -168.932 -134.919 -115.164 -134.919 52.5161 182.03 -115.164 182.03 -291.95 GPRESSURE: 3451600 -179.051 -184.068 -220.489 -50.3926 55.4969 139.372 71.5015 193.733 -217.144 PRESSAVG: 3451600 -1.54714 -24.8112 57.4038 -24.8112 10.5599 -44.6195 57.4038 -44.6195 -1.20171 GPRESSAVG: 3451600 -0.56706 -22.9997 56.1001 -24.8546 9.49447 -45.6443 58.0171 -44.4646 -1.08023 TIMING: 3451600 CPU: 10784, 0.00313673/step Wall: 10784, 0.00313673/step, 1.34914 hours remaining, 235.281250 MB of memory in use. ENERGY: 3451600 3897.0169 20548.8103 14406.7223 247.7392 -202536.7295 2199.8787 0.0000 0.0000 52097.5393 -109139.0228 299.4053 -161236.5621 -108775.5538 299.2832 -136.1220 -113.5662 763973.0490 2.6037 2.6157 PRESSURE: 3451800 -38.8526 122.627 28.2505 122.627 31.601 -16.0229 28.2509 -16.0219 284.717 GPRESSURE: 3451800 62.4343 155.776 91.1786 3.3388 32.9412 -61.2341 -8.64567 50.6672 268.478 PRESSAVG: 3451800 -45.787 -32.1402 -17.0244 -32.1402 18.4929 32.8563 -17.0244 32.8563 4.39643 GPRESSAVG: 3451800 -46.7848 -32.5711 -16.2007 -33.9601 18.4698 33.6504 -18.6045 31.4673 5.08561 TIMING: 3451800 CPU: 10784.6, 0.00313202/step Wall: 10784.6, 0.00313202/step, 1.34694 hours remaining, 235.281250 MB of memory in use. ENERGY: 3451800 3875.5526 20507.0751 14427.6864 252.1145 -203456.5476 3063.3182 0.0000 0.0000 51971.1961 -109359.6048 298.6792 -161330.8009 -109001.0129 298.5606 92.4885 121.2846 762921.2838 -7.6325 -7.7431 PRESSURE: 3452000 -384.789 160.528 -83.5078 160.529 -150.079 9.62458 -83.5078 9.62391 -105.027 GPRESSURE: 3452000 -372.317 178.708 20.1687 164.587 -30.9493 -35.2345 -144.6 -2.98364 -135.899 PRESSAVG: 3452000 26.7749 -24.6979 12.0711 -24.6979 -36.1149 -54.897 12.0712 -54.897 18.0616 GPRESSAVG: 3452000 27.6065 -27.3253 13.9558 -22.8219 -35.4851 -55.594 10.3738 -53.7747 16.8689 TIMING: 3452000 CPU: 10785.3, 0.0031155/step Wall: 10785.3, 0.0031155/step, 1.33967 hours remaining, 235.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3452000 3990.6067 20545.2469 14419.4471 220.2928 -203040.1944 2621.8770 0.0000 0.0000 51918.8390 -109323.8849 298.3783 -161242.7239 -108965.9813 299.1178 -213.2983 -179.7218 765189.9621 2.9072 2.9968 PRESSURE: 3452200 140.967 112.847 -68.7918 112.847 -282.472 188.331 -68.7913 188.33 54.984 GPRESSURE: 3452200 121.89 117.62 -21.2822 127.589 -188.819 117.218 -84.1317 252.358 87.3954 PRESSAVG: 3452200 26.566 28.662 10.6375 28.662 -4.53289 21.4465 10.6375 21.4465 -13.507 GPRESSAVG: 3452200 26.1981 30.811 8.39142 29.5024 -3.91518 20.5448 11.4826 22.3993 -13.0394 TIMING: 3452200 CPU: 10785.9, 0.00310184/step Wall: 10785.9, 0.00310184/step, 1.33362 hours remaining, 235.281250 MB of memory in use. ENERGY: 3452200 4061.3993 20427.2625 14454.0885 231.6521 -203562.6901 3065.2442 0.0000 0.0000 51936.4269 -109386.6166 298.4794 -161323.0435 -109021.4210 298.8744 -28.8406 6.8220 764810.2916 2.8420 3.0812 LDB: ============= START OF LOAD BALANCING ============== 10798.4 LDB: ============== END OF LOAD BALANCING =============== 10798.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10798.4 LDB: ============= START OF LOAD BALANCING ============== 10798.7 LDB: Largest compute 6989 load 0.028881 is 14.8% of average load 0.195145 LDB: Average compute 0.004375 is 2.2% of average load 0.195145 LDB: TIME 10798.7 LOAD: AVG 0.195145 MAX 0.216013 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.707 MB LDB: TIME 10798.7 LOAD: AVG 0.195145 MAX 0.216013 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.707 MB LDB: TIME 10798.7 LOAD: AVG 0.195145 MAX 0.216013 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.707 MB LDB: ============== END OF LOAD BALANCING =============== 10798.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10798.7 PRESSURE: 3452400 160.663 134.392 -9.93409 134.391 84.8899 -290.799 -9.93397 -290.798 34.5554 GPRESSURE: 3452400 68.076 -57.9306 -67.281 139.867 152.091 -365.917 -23.6904 -231.565 148.902 PRESSAVG: 3452400 16.5199 -16.3985 -26.0306 -16.3985 13.7188 -19.3511 -26.0306 -19.3511 4.76297 GPRESSAVG: 3452400 17.3838 -16.9836 -25.0439 -19.074 12.6975 -18.2438 -27.1497 -20.1459 4.89006 TIMING: 3452400 CPU: 10786.5, 0.00317216/step Wall: 10786.5, 0.00317216/step, 1.36368 hours remaining, 234.210938 MB of memory in use. ENERGY: 3452400 3916.3279 20604.2309 14467.0730 244.9236 -203233.4332 2706.7871 0.0000 0.0000 52110.6661 -109183.4246 299.4807 -161294.0908 -108824.1200 298.8987 93.3695 123.0229 764786.2929 11.6672 11.6571 PRESSURE: 3452600 276.791 17.8957 -20.2403 17.896 55.2667 132.64 -20.2404 132.639 -474.991 GPRESSURE: 3452600 280.275 160.203 -121.881 20.3283 116.75 219.237 -8.7048 147.194 -454.632 PRESSAVG: 3452600 12.2604 11.4801 26.3037 11.4801 -1.65347 24.8498 26.3037 24.8498 -11.141 GPRESSAVG: 3452600 12.2525 14.4236 25.7947 11.9537 -1.27365 25.5988 28.49 24.0433 -11.2434 TIMING: 3452600 CPU: 10787.1, 0.00311928/step Wall: 10787.1, 0.00311928/step, 1.34077 hours remaining, 234.210938 MB of memory in use. ENERGY: 3452600 4027.8608 20492.4455 14506.7194 239.6497 -202994.3207 2611.7125 0.0000 0.0000 52022.2014 -109093.7314 298.9723 -161115.9328 -108737.6186 299.5578 -47.6447 -19.2026 762863.8362 -0.1780 -0.0882 PRESSURE: 3452800 -52.3466 -111.131 62.3344 -111.131 -113.794 43.2253 62.3346 43.2245 237.221 GPRESSURE: 3452800 -97.3367 1.78725 32.7854 -63.4494 30.5939 61.3322 179.546 77.2688 246.902 PRESSAVG: 3452800 -13.5902 -49.8005 19.2071 -49.8005 11.0268 29.9368 19.2071 29.9367 25.1905 GPRESSAVG: 3452800 -12.701 -50.4893 18.2054 -50.597 11.1142 28.134 20.8159 29.7605 24.2385 TIMING: 3452800 CPU: 10787.8, 0.00311062/step Wall: 10787.8, 0.00311062/step, 1.33688 hours remaining, 234.210938 MB of memory in use. ENERGY: 3452800 3990.6064 20587.9011 14404.1107 256.9174 -203408.2235 2805.6952 0.0000 0.0000 52174.9992 -109187.9935 299.8504 -161362.9927 -108830.6112 299.5349 23.6934 60.0532 763271.1009 7.5424 7.5506 PRESSURE: 3453000 -137.913 67.8032 -193.483 67.8029 -259.585 -45.1268 -193.483 -45.1265 -164.746 GPRESSURE: 3453000 -66.0412 104.959 -154.604 84.0186 -307.094 -83.6907 -184.082 -145.954 -101.755 PRESSAVG: 3453000 72.8149 11.9592 26.9382 11.9592 -23.3821 -38.2103 26.9382 -38.2102 -19.1136 GPRESSAVG: 3453000 70.8543 11.2908 28.4369 15.0343 -22.6048 -37.0756 25.4782 -38.812 -18.1874 TIMING: 3453000 CPU: 10788.4, 0.00312513/step Wall: 10788.4, 0.00312513/step, 1.34294 hours remaining, 234.210938 MB of memory in use. ENERGY: 3453000 3990.0214 20503.0999 14464.3898 239.7975 -203140.1907 2749.9079 0.0000 0.0000 52205.6301 -108987.3442 300.0265 -161192.9743 -108625.5749 299.1701 -187.4147 -158.2969 763219.5196 10.1064 10.0207 PRESSURE: 3453200 -195.825 -227.403 4.58245 -227.403 153.509 109.949 4.58244 109.948 -218.519 GPRESSURE: 3453200 -201.018 -229.313 25.8179 -199.339 202.095 3.72754 32.1106 130.066 -169.725 PRESSAVG: 3453200 -20.1635 -49.0677 5.31816 -49.0677 19.0012 21.6989 5.31814 21.6989 8.34912 GPRESSAVG: 3453200 -19.7421 -50.1466 4.76649 -50.162 18.981 21.1144 5.00793 22.8144 8.00104 TIMING: 3453200 CPU: 10789, 0.00311304/step Wall: 10789, 0.00311304/step, 1.33757 hours remaining, 234.210938 MB of memory in use. ENERGY: 3453200 3912.7182 20541.7837 14427.3658 246.1769 -203101.9911 2598.7610 0.0000 0.0000 52145.1660 -109230.0194 299.6790 -161375.1855 -108860.1779 299.5638 -86.9452 -56.2160 764100.8306 2.3956 2.4133 PRESSURE: 3453400 25.6852 82.1309 11.6759 82.1301 -143.914 -128.125 11.6753 -128.124 -169.516 GPRESSURE: 3453400 78.3473 137.642 -12.3041 62.1326 -87.2978 -151.197 10.6389 -65.0237 -184.93 PRESSAVG: 3453400 -16.3377 -4.55676 17.8127 -4.55676 42.8106 43.9872 17.8127 43.9871 -29.3674 GPRESSAVG: 3453400 -15.9891 -4.87467 19.5059 -5.45934 43.5474 43.5393 18.062 43.9419 -30.4639 TIMING: 3453400 CPU: 10789.6, 0.00312143/step Wall: 10789.6, 0.00312143/step, 1.341 hours remaining, 234.210938 MB of memory in use. ENERGY: 3453400 4004.2390 20476.6029 14411.2100 255.7340 -202991.9645 2688.1811 0.0000 0.0000 52235.6693 -108920.3281 300.1991 -161155.9974 -108566.3654 299.1072 -95.9151 -64.6269 762158.9856 -0.9648 -0.9686 PRESSURE: 3453600 110.782 -24.1984 116.953 -24.1978 225.364 212.424 116.953 212.424 -183.38 GPRESSURE: 3453600 250.675 -94.6318 153.667 -40.8729 231.834 255.526 178.987 43.8818 -246.141 PRESSAVG: 3453600 -38.1699 -48.9748 18.0212 -48.9747 -11.0265 -14.5791 18.0213 -14.5791 10.2072 GPRESSAVG: 3453600 -37.9918 -49.8839 15.7098 -47.9987 -12.1801 -13.744 18.2746 -15.5842 10.9759 TIMING: 3453600 CPU: 10790.3, 0.00311479/step Wall: 10790.3, 0.00311479/step, 1.33797 hours remaining, 234.210938 MB of memory in use. ENERGY: 3453600 4053.8438 20506.3524 14513.6175 249.8236 -203291.6657 2837.2848 0.0000 0.0000 52108.3233 -109022.4204 299.4673 -161130.7437 -108671.5968 299.4137 50.9219 78.7894 763388.6881 -12.9964 -13.0653 PRESSURE: 3453800 -136.364 12.4909 -35.5319 12.4912 -99.6184 113.647 -35.5311 113.646 35.8338 GPRESSURE: 3453800 -73.586 -9.64067 48.1554 28.1183 -100.076 159.021 -209.059 35.8869 64.5674 PRESSAVG: 3453800 4.85045 -50.8121 61.9295 -50.812 32.6769 52.4163 61.9296 52.4163 -1.91248 GPRESSAVG: 3453800 4.53245 -49.6732 61.7711 -51.6114 31.6996 53.4957 60.0079 51.9538 -0.654448 TIMING: 3453800 CPU: 10790.9, 0.00313255/step Wall: 10790.9, 0.00313255/step, 1.34543 hours remaining, 234.210938 MB of memory in use. ENERGY: 3453800 3997.3229 20517.0184 14488.1432 260.5067 -203277.0834 2781.4309 0.0000 0.0000 52204.6990 -109027.9623 300.0211 -161232.6613 -108664.3018 299.7376 -66.7162 -36.3649 763392.8292 11.8716 11.8592 PRESSURE: 3454000 137.328 -86.4905 300.845 -86.4915 171.1 -211.289 300.845 -211.289 -381.983 GPRESSURE: 3454000 116.183 -77.1542 299.127 -45.3943 147.887 -230.611 299.944 -214.225 -293.969 PRESSAVG: 3454000 43.9923 -58.9156 36.8176 -58.9155 -29.3824 -42.8459 36.8177 -42.8458 0.378291 GPRESSAVG: 3454000 42.8796 -58.4548 37.8211 -58.7979 -28.0483 -42.4295 36.8951 -41.4253 -0.0512899 TIMING: 3454000 CPU: 10791.5, 0.00313126/step Wall: 10791.5, 0.00313126/step, 1.3447 hours remaining, 234.210938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3454000 3980.9983 20611.9879 14415.2664 238.4355 -203401.6985 2766.6137 0.0000 0.0000 52109.8173 -109278.5794 299.4758 -161388.3967 -108917.9935 299.5787 -24.5183 -9.9663 763646.6986 4.9961 4.9267 PRESSURE: 3454200 153.391 -38.8529 -87.5272 -38.8529 269.885 -173.896 -87.5269 -173.896 146.993 GPRESSURE: 3454200 192.653 -6.08816 -75.5568 -66.8568 321.82 -267.012 -90.6834 -248.633 146.47 PRESSAVG: 3454200 30.7296 -75.3467 12.7267 -75.3466 -21.2373 -27.7639 12.7267 -27.7639 0.0704749 GPRESSAVG: 3454200 30.0159 -75.1137 13.0439 -73.6347 -19.9341 -30.8736 14.8721 -27.5917 -0.239419 TIMING: 3454200 CPU: 10792.1, 0.00312638/step Wall: 10792.1, 0.00312638/step, 1.34243 hours remaining, 234.210938 MB of memory in use. ENERGY: 3454200 3904.0633 20654.2822 14462.5418 244.7506 -203216.2810 2714.7633 0.0000 0.0000 52042.7324 -109193.1474 299.0903 -161235.8798 -108833.9132 299.5491 190.0898 220.3140 763527.0970 3.1876 3.2808 PRESSURE: 3454400 -81.6309 57.3511 45.4921 57.351 158.105 -84.3715 45.4927 -84.3718 80.6832 GPRESSURE: 3454400 -43.761 4.79439 111.16 55.8142 177.936 -28.6229 146.8 -41.3932 115.578 PRESSAVG: 3454400 30.7725 -37.4471 18.8753 -37.4471 -6.82437 45.1593 18.8753 45.1593 -22.1113 GPRESSAVG: 3454400 32.5715 -38.0031 19.8224 -36.6147 -8.80367 47.4802 18.8036 42.4714 -21.0426 TIMING: 3454400 CPU: 10792.8, 0.00313256/step Wall: 10792.8, 0.00313256/step, 1.34491 hours remaining, 234.210938 MB of memory in use. ENERGY: 3454400 4003.7315 20557.2432 14491.8465 250.1739 -203102.2529 2415.7672 0.0000 0.0000 52242.1207 -109141.3698 300.2362 -161383.4905 -108785.0351 299.8621 52.3857 83.2508 761633.9968 0.6123 0.9084 PRESSURE: 3454600 -95.0864 -196.713 -160.678 -196.713 -411.416 64.8731 -160.679 64.873 53.1354 GPRESSURE: 3454600 -78.9013 -166.408 -139.928 -223.399 -362.977 125.808 -220.509 89.397 78.844 PRESSAVG: 3454600 3.27002 -46.7369 95.7135 -46.7369 -37.4254 39.4063 95.7136 39.4063 -27.0413 GPRESSAVG: 3454600 2.80982 -44.4937 94.4694 -47.6399 -36.6956 39.3622 96.7799 41.627 -27.738 TIMING: 3454600 CPU: 10793.4, 0.00311187/step Wall: 10793.4, 0.00311187/step, 1.33586 hours remaining, 234.210938 MB of memory in use. ENERGY: 3454600 4075.5626 20320.4326 14462.9957 225.6534 -203220.7848 2456.8000 0.0000 0.0000 52399.3765 -109279.9640 301.1399 -161679.3405 -108919.0501 299.6505 -151.1222 -121.0114 763626.8322 -20.3989 -20.5413 PRESSURE: 3454800 23.592 0.023309 183.946 0.0237616 360.332 147.655 183.946 147.655 114.476 GPRESSURE: 3454800 121.287 -111.146 299.561 -49.5172 332.541 130.527 220.177 56.0147 112.25 PRESSAVG: 3454800 6.66316 6.43864 45.5267 6.43866 -28.936 30.0282 45.5267 30.0282 24.4776 GPRESSAVG: 3454800 7.15556 3.80752 44.974 5.97373 -29.747 30.1146 44.4455 28.3771 24.341 TIMING: 3454800 CPU: 10794, 0.00310209/step Wall: 10794, 0.00310209/step, 1.33149 hours remaining, 234.210938 MB of memory in use. ENERGY: 3454800 3948.7429 20532.4052 14470.9244 256.1686 -203486.6844 3051.0038 0.0000 0.0000 52178.6481 -109048.7914 299.8714 -161227.4395 -108684.1110 299.5002 166.1330 188.6926 762018.5963 0.7349 0.5832 PRESSURE: 3455000 -177.914 -101.152 165.278 -101.151 -10.5309 -240.409 165.278 -240.409 -368.954 GPRESSURE: 3455000 -118.281 -115.747 253.645 -25.507 -101.143 -221.341 82.1148 -166.144 -260.786 PRESSAVG: 3455000 7.01034 -0.391986 81.7586 -0.392031 -21.5471 -12.5904 81.7587 -12.5904 -0.226309 GPRESSAVG: 3455000 6.81474 -1.12415 82.3635 0.653141 -20.4565 -12.7561 80.7358 -11.8492 -0.893411 TIMING: 3455000 CPU: 10794.6, 0.00310418/step Wall: 10794.6, 0.00310418/step, 1.33221 hours remaining, 234.210938 MB of memory in use. ENERGY: 3455000 3984.0913 20552.0440 14454.3008 260.7419 -203204.3160 2650.2743 0.0000 0.0000 52054.4780 -109248.3858 299.1578 -161302.8638 -108885.2294 299.7660 -185.7994 -160.0700 763185.8303 -4.9210 -4.8451 PRESSURE: 3455200 -196.24 -174.905 -160.916 -174.904 -176.202 -170.271 -160.916 -170.272 65.0529 GPRESSURE: 3455200 -240.611 -201.386 -154.675 -116.885 -85.8999 -103.163 -176.303 -172.602 124.872 PRESSAVG: 3455200 39.2016 -25.4495 38.1177 -25.4496 -36.4247 9.12664 38.1177 9.12663 10.7269 GPRESSAVG: 3455200 39.617 -25.6356 38.4347 -23.2677 -37.4107 8.42213 38.3988 9.7649 11.1555 TIMING: 3455200 CPU: 10795.2, 0.00310429/step Wall: 10795.2, 0.00310429/step, 1.33209 hours remaining, 234.210938 MB of memory in use. ENERGY: 3455200 4006.7398 20461.5786 14534.7225 254.3133 -203126.3396 2660.1304 0.0000 0.0000 51862.0556 -109346.7993 298.0519 -161208.8549 -108992.2111 298.9946 -102.4630 -67.2128 762040.3627 4.5013 4.4539 PRESSURE: 3455400 159.224 -8.17275 135.444 -8.17292 -93.5179 74.2583 135.444 74.259 381.359 GPRESSURE: 3455400 239.801 -2.98249 137.325 20.4469 -91.1989 154.235 99.9466 -56.5082 389.546 PRESSAVG: 3455400 -6.53667 -40.9357 0.0849833 -40.9356 -32.1606 26.8885 0.0849816 26.8884 15.2913 GPRESSAVG: 3455400 -6.06476 -38.0577 -0.935413 -44.3481 -32.2072 27.3063 1.08721 24.2865 14.8748 TIMING: 3455400 CPU: 10795.9, 0.0031068/step Wall: 10795.9, 0.0031068/step, 1.33299 hours remaining, 234.210938 MB of memory in use. ENERGY: 3455400 3944.2323 20525.1670 14432.5349 256.1763 -203296.4100 2490.9330 0.0000 0.0000 52260.5418 -109386.8248 300.3421 -161647.3666 -109024.9272 298.7264 149.0218 179.3825 761237.5827 -7.8020 -7.7990 PRESSURE: 3455600 167.058 179.469 -169.652 179.469 16.7137 -32.8965 -169.652 -32.8967 61.9516 GPRESSURE: 3455600 196.521 169.271 -230.18 122.04 11.2218 139.606 -162.349 -71.1364 131.904 PRESSAVG: 3455600 25.0908 19.6514 -27.6763 19.6513 -4.79276 31.9426 -27.6763 31.9426 6.85789 GPRESSAVG: 3455600 25.3047 17.7745 -27.1291 21.3761 -4.73677 33.5245 -29.5502 33.6644 6.84327 TIMING: 3455600 CPU: 10796.5, 0.00311907/step Wall: 10796.5, 0.00311907/step, 1.33808 hours remaining, 234.210938 MB of memory in use. ENERGY: 3455600 3980.7397 20482.3887 14430.3802 245.3472 -203132.6212 2643.3465 0.0000 0.0000 51923.9298 -109426.4892 298.4075 -161350.4190 -109063.6111 298.9306 81.9078 113.2154 762237.8636 9.0520 9.1371 PRESSURE: 3455800 33.7721 -80.1748 -206.56 -80.1737 -131.662 -23.2003 -206.559 -23.2009 -95.0678 GPRESSURE: 3455800 33.5257 -103.931 -171.31 -96.537 -66.2261 23.4726 -201.952 22.5812 -89.8487 PRESSAVG: 3455800 41.2033 -33.9879 5.144 -33.9879 -19.1256 60.5309 5.14398 60.531 13.4213 GPRESSAVG: 3455800 41.3463 -34.1311 5.53396 -32.2646 -19.4856 60.2342 5.28604 59.9306 13.939 TIMING: 3455800 CPU: 10797.1, 0.00311004/step Wall: 10797.1, 0.00311005/step, 1.33404 hours remaining, 234.210938 MB of memory in use. ENERGY: 3455800 3961.8319 20281.0617 14464.8225 248.0300 -203026.3047 2664.5496 0.0000 0.0000 51992.3817 -109413.6274 298.8009 -161406.0091 -109041.9100 298.6790 -64.3191 -40.8497 763846.1869 11.8330 11.9332 PRESSURE: 3456000 -198.102 96.0204 -7.38071 96.0211 67.4383 0.277079 -7.38061 0.277384 -33.0473 GPRESSURE: 3456000 -227.429 74.5636 -86.5508 84.3425 145.739 20.4042 29.7958 -0.671223 4.39134 PRESSAVG: 3456000 -44.5001 -16.4889 60.7553 -16.4889 4.61418 -18.9472 60.7553 -18.9472 -12.757 GPRESSAVG: 3456000 -45.8131 -16.292 60.7002 -17.5451 4.97593 -17.9322 63.0251 -19.8519 -11.4399 TIMING: 3456000 CPU: 10797.7, 0.00311978/step Wall: 10797.7, 0.00311978/step, 1.33804 hours remaining, 234.210938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3456000 3881.9964 20465.3938 14421.3418 242.2836 -203288.2197 2559.1014 0.0000 0.0000 52061.5229 -109656.5797 299.1983 -161718.1026 -109291.8794 298.7222 -54.5704 -25.7665 762491.1316 -17.5476 -17.4257 PRESSURE: 3456200 -174.013 145.323 -265.967 145.323 -174.537 -9.57085 -265.968 -9.57064 -146.767 GPRESSURE: 3456200 -107.555 131.689 -342.449 140.969 -171.317 5.63733 -61.8535 44.1928 -137.198 PRESSAVG: 3456200 7.35332 -42.5923 44.6037 -42.5923 31.4613 -20.6646 44.6038 -20.6646 -18.0111 GPRESSAVG: 3456200 6.38705 -40.4165 43.7519 -45.9054 30.7825 -22.0449 42.6606 -19.9913 -16.9116 TIMING: 3456200 CPU: 10798.4, 0.00311466/step Wall: 10798.4, 0.00311466/step, 1.33567 hours remaining, 234.210938 MB of memory in use. ENERGY: 3456200 3995.0372 20567.4423 14439.1389 225.8710 -202842.5112 2298.6107 0.0000 0.0000 52019.4320 -109296.9791 298.9564 -161316.4111 -108920.8803 299.1217 -165.1056 -138.6901 763178.5128 6.9345 6.7527 LDB: ============= START OF LOAD BALANCING ============== 10810.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10810.8 LDB: =============== DONE WITH MIGRATION ================ 10810.8 LDB: ============= START OF LOAD BALANCING ============== 10811.1 LDB: Largest compute 7056 load 0.030258 is 15.5% of average load 0.195217 LDB: Average compute 0.004386 is 2.2% of average load 0.195217 LDB: TIME 10811.2 LOAD: AVG 0.195217 MAX 0.217426 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.641 MB LDB: TIME 10811.2 LOAD: AVG 0.195217 MAX 0.217426 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.641 MB LDB: TIME 10811.2 LOAD: AVG 0.195217 MAX 0.217426 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.641 MB LDB: ============== END OF LOAD BALANCING =============== 10811.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10811.2 PRESSURE: 3456400 -117.237 -65.84 114.058 -65.8399 113.774 -92.8138 114.058 -92.8138 -194.13 GPRESSURE: 3456400 -115.508 4.4241 158.674 27.9374 187.852 -85.7648 153.006 24.3113 -184.799 PRESSAVG: 3456400 -16.0543 -2.34383 42.6375 -2.34369 17.3217 30.3059 42.6375 30.3059 7.45368 GPRESSAVG: 3456400 -16.1885 -2.68221 41.4891 -1.59608 18.9181 31.4704 43.3721 30.4304 5.55135 TIMING: 3456400 CPU: 10799, 0.00318856/step Wall: 10799, 0.00318856/step, 1.36718 hours remaining, 234.925781 MB of memory in use. ENERGY: 3456400 4019.1693 20555.8133 14391.9848 262.6739 -202966.9847 2476.8215 0.0000 0.0000 52029.8298 -109230.6921 299.0161 -161260.5219 -108872.2643 298.8515 -65.8644 -37.4848 762806.9333 2.9070 2.7603 PRESSURE: 3456600 -292.984 -175.167 166.23 -175.168 -193.31 8.22226 166.23 8.22377 -420.369 GPRESSURE: 3456600 -250.17 -198.418 148.822 -149.8 -122.642 -35.7567 295.635 -19.1852 -472.121 PRESSAVG: 3456600 -44.1371 -34.5346 37.0809 -34.5346 57.9615 40.3588 37.0809 40.3588 13.9757 GPRESSAVG: 3456600 -43.3708 -33.3691 39.0044 -33.6928 57.6843 39.1797 35.4746 42.7508 14.0241 TIMING: 3456600 CPU: 10799.6, 0.0031284/step Wall: 10799.6, 0.0031284/step, 1.34121 hours remaining, 234.925781 MB of memory in use. ENERGY: 3456600 4122.5001 20478.5246 14408.9005 232.6610 -203130.7129 2443.9487 0.0000 0.0000 52190.1371 -109254.0409 299.9374 -161444.1780 -108894.3604 299.7268 -302.2208 -281.6442 761554.9375 9.2667 9.4459 PRESSURE: 3456800 -510.403 122.332 -41.8506 122.333 -174.746 -70.4393 -41.8505 -70.4382 -139.957 GPRESSURE: 3456800 -360.932 5.25916 -62.002 222.044 -249.396 -53.7014 -12.631 -96.0351 -144.884 PRESSAVG: 3456800 -37.2529 0.973729 7.8877 0.973749 39.5657 0.817671 7.8877 0.817627 12.8848 GPRESSAVG: 3456800 -36.9529 -0.494561 8.61557 1.92415 38.9616 2.27594 9.05565 -0.385278 13.1569 TIMING: 3456800 CPU: 10800.2, 0.00311555/step Wall: 10800.2, 0.00311555/step, 1.33553 hours remaining, 234.925781 MB of memory in use. ENERGY: 3456800 4046.5199 20505.6850 14508.8221 254.4921 -202627.5038 2139.7240 0.0000 0.0000 52012.8608 -109159.4000 298.9186 -161172.2608 -108789.6364 299.8715 -275.0352 -251.7374 762943.7437 5.0659 5.0552 PRESSURE: 3457000 -88.35 -2.86263 -87.218 -2.86174 -383.12 -179.605 -87.2182 -179.606 -376.991 GPRESSURE: 3457000 -13.5648 20.6112 -17.6217 8.91972 -390.872 -162.321 -38.1835 -352.979 -362.121 PRESSAVG: 3457000 -29.2178 -19.8104 24.1783 -19.8105 79.8231 52.8648 24.1782 52.8648 -19.7847 GPRESSAVG: 3457000 -28.8072 -20.8029 22.29 -21.0059 79.2804 52.8452 25.3819 51.3363 -19.7032 TIMING: 3457000 CPU: 10800.9, 0.00311698/step Wall: 10800.9, 0.00311698/step, 1.33597 hours remaining, 234.925781 MB of memory in use. ENERGY: 3457000 3904.6142 20518.8038 14507.8484 267.4356 -203273.7412 2597.4783 0.0000 0.0000 52051.2863 -109426.2746 299.1395 -161477.5609 -109059.6885 299.2485 -282.8201 -255.5194 762658.6251 10.2736 10.2567 PRESSURE: 3457200 -236.673 -53.7084 116.626 -53.7077 -303.034 -174.396 116.627 -174.397 -695.884 GPRESSURE: 3457200 -249.794 -38.9365 66.2266 -103.491 -183.224 -167.03 26.5176 -65.7022 -721.991 PRESSAVG: 3457200 27.8079 -14.4754 -28.6264 -14.4753 -51.3011 4.12947 -28.6264 4.12941 -4.40894 GPRESSAVG: 3457200 26.8188 -13.6306 -28.1041 -13.6077 -50.0008 3.73983 -30.4875 4.57182 -4.58042 TIMING: 3457200 CPU: 10801.5, 0.00311419/step Wall: 10801.5, 0.00311419/step, 1.3346 hours remaining, 234.925781 MB of memory in use. ENERGY: 3457200 3989.1716 20526.9543 14471.2304 241.5952 -203409.1092 2785.8545 0.0000 0.0000 52032.6937 -109361.6095 299.0326 -161394.3032 -108998.5488 298.9016 -411.8635 -385.0030 763817.8419 -9.3007 -9.2541 PRESSURE: 3457400 197.955 90.3013 -60.5519 90.3006 -86.0181 205.556 -60.5513 205.556 319.561 GPRESSURE: 3457400 294.512 104.881 -12.9278 140.45 -48.4073 190.137 -23.4816 80.218 257.502 PRESSAVG: 3457400 -0.505945 -13.9613 -5.6914 -13.9613 -11.9934 25.0232 -5.69144 25.0233 -28.2149 GPRESSAVG: 3457400 -0.239153 -15.3057 -5.66712 -14.0141 -11.1108 24.2391 -5.52893 27.1342 -28.8705 TIMING: 3457400 CPU: 10802.1, 0.00314004/step Wall: 10802.1, 0.00314004/step, 1.34551 hours remaining, 234.925781 MB of memory in use. ENERGY: 3457400 3956.0391 20406.1150 14484.6217 250.6667 -203056.8368 2551.9272 0.0000 0.0000 52031.7710 -109375.6961 299.0273 -161407.4671 -109008.1147 298.8431 143.8327 167.8688 763399.1526 -13.5714 -13.4068 PRESSURE: 3457600 275.906 -11.1853 -43.3842 -11.1859 -137.209 208.841 -43.3839 208.839 -2.5052 GPRESSURE: 3457600 393.4 12.2932 -21.8798 45.6354 -118.541 155.822 -63.3755 126.23 -48.3081 PRESSAVG: 3457600 16.0751 7.48835 -41.2229 7.48838 8.88728 32.7278 -41.2229 32.7278 12.9518 GPRESSAVG: 3457600 17.5575 7.74545 -42.063 8.35507 7.28069 33.8919 -40.2274 32.4001 13.1331 TIMING: 3457600 CPU: 10802.7, 0.00311102/step Wall: 10802.7, 0.00311102/step, 1.3329 hours remaining, 234.925781 MB of memory in use. ENERGY: 3457600 3965.2808 20491.0707 14477.8266 250.0236 -203749.0960 2967.7859 0.0000 0.0000 52315.4283 -109281.6801 300.6575 -161597.1084 -108916.1366 299.3687 45.3972 75.5171 764098.6052 12.6381 12.6571 PRESSURE: 3457800 54.5082 243.573 -22.3181 243.572 100.17 -294.01 -22.3183 -294.011 344.389 GPRESSURE: 3457800 -14.1963 184.681 -84.4673 186.712 229.572 -313.313 -93.8223 -338.768 362.361 PRESSAVG: 3457800 2.66116 -6.51341 -19.1572 -6.5134 -0.0464287 43.4385 -19.1572 43.4385 21.1716 GPRESSAVG: 3457800 2.06125 -6.72432 -18.9388 -7.17701 0.0553006 42.4239 -17.6674 43.0876 22.1045 TIMING: 3457800 CPU: 10803.4, 0.00313347/step Wall: 10803.4, 0.00313347/step, 1.34234 hours remaining, 234.925781 MB of memory in use. ENERGY: 3457800 4094.8358 20461.9345 14416.2147 242.4719 -203559.3788 3097.0748 0.0000 0.0000 52015.1802 -109231.6669 298.9320 -161246.8471 -108881.3961 299.3542 166.3559 192.5787 762704.1786 7.9288 8.0737 PRESSURE: 3458000 -12.9442 -28.4897 129.484 -28.4895 364.361 189.99 129.483 189.99 258.584 GPRESSURE: 3458000 48.2813 68.0158 162.023 -87.8605 341.402 178.656 -21.951 110.518 286.998 PRESSAVG: 3458000 54.3553 -31.3488 3.9851 -31.3487 -24.2697 59.9329 3.98508 59.9328 -5.88191 GPRESSAVG: 3458000 54.466 -30.5381 4.09757 -30.2291 -24.0379 58.5128 0.593162 59.4062 -6.15632 TIMING: 3458000 CPU: 10804, 0.0031157/step Wall: 10804, 0.0031157/step, 1.33456 hours remaining, 234.925781 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: 3458000 4014.3135 20558.4281 14462.8260 240.6197 -203125.0410 2615.7416 0.0000 0.0000 51896.4250 -109336.6870 298.2495 -161233.1120 -108977.9965 299.0514 203.3334 225.5603 762524.7758 8.0679 8.0906 PRESSURE: 3458200 33.7946 -96.9626 74.3687 -96.963 180.366 21.7487 74.3693 21.7493 -70.1641 GPRESSURE: 3458200 111.259 -42.2155 58.9692 -15.6808 213.765 39.284 51.4962 -102.058 -103.946 PRESSAVG: 3458200 -20.0665 34.7705 -45.6887 34.7705 18.475 -45.7733 -45.6887 -45.7732 -5.11327 GPRESSAVG: 3458200 -19.3654 36.1484 -46.8813 36.5028 18.0484 -46.2207 -43.5252 -43.8452 -5.62702 TIMING: 3458200 CPU: 10804.6, 0.00312424/step Wall: 10804.6, 0.00312424/step, 1.33804 hours remaining, 234.925781 MB of memory in use. ENERGY: 3458200 3936.9416 20369.4933 14435.0020 245.5256 -202975.1853 2558.0115 0.0000 0.0000 52068.9675 -109361.2438 299.2411 -161430.2113 -109002.0560 298.9732 47.9990 73.6930 761845.4003 -2.2349 -2.3147 PRESSURE: 3458400 97.8847 92.4464 -27.0382 92.4471 -122.225 -306.299 -27.0393 -306.3 -211.453 GPRESSURE: 3458400 64.2044 18.1365 -26.5806 103.227 -87.0898 -240.137 54.9018 -412.878 -125.809 PRESSAVG: 3458400 -35.4695 -13.413 -2.85384 -13.413 -17.6097 -13.7664 -2.85382 -13.7664 -19.4597 GPRESSAVG: 3458400 -36.7412 -15.0524 -2.47842 -13.9483 -16.2703 -12.3452 -2.71331 -16.8161 -19.613 TIMING: 3458400 CPU: 10805.2, 0.00312053/step Wall: 10805.2, 0.00312053/step, 1.33628 hours remaining, 234.925781 MB of memory in use. ENERGY: 3458400 4118.7697 20447.3276 14392.1675 276.4514 -203530.6973 2778.2392 0.0000 0.0000 52066.2316 -109451.5102 299.2253 -161517.7419 -109082.7324 298.9251 -78.5977 -49.5649 761718.0414 -24.1796 -24.2082 PRESSURE: 3458600 -19.2668 -103.16 176.539 -103.16 -229.628 147.773 176.539 147.772 418.148 GPRESSURE: 3458600 42.0369 -121.293 176.693 -190.923 -190.258 157.824 211.408 273.105 413.79 PRESSAVG: 3458600 85.3004 16.3985 30.6647 16.3986 -17.6863 5.19659 30.6647 5.19665 -12.2616 GPRESSAVG: 3458600 85.6027 15.5532 31.3507 14.2758 -18.3193 5.20838 31.6978 7.19551 -11.809 TIMING: 3458600 CPU: 10805.9, 0.00311833/step Wall: 10805.9, 0.00311833/step, 1.33517 hours remaining, 234.925781 MB of memory in use. ENERGY: 3458600 4026.6568 20487.4527 14461.5426 251.3541 -203043.6102 2369.8401 0.0000 0.0000 51848.6214 -109598.1425 297.9747 -161446.7639 -109232.4164 298.2996 56.4177 88.5230 762625.9859 18.4508 18.4915 PRESSURE: 3458800 -68.2122 -41.6757 -11.7192 -41.6758 114.193 -4.76298 -11.7194 -4.76243 -352.609 GPRESSURE: 3458800 -55.1946 -37.438 -72.4723 27.619 127.11 68.5362 -64.4968 -22.4203 -293.489 PRESSAVG: 3458800 94.6321 6.03994 -3.05365 6.03999 -54.7945 12.5417 -3.05363 12.5418 7.26284 GPRESSAVG: 3458800 93.8537 4.57027 -2.55474 6.88826 -54.7249 10.5707 -5.49359 12.7159 7.9075 TIMING: 3458800 CPU: 10806.5, 0.00311183/step Wall: 10806.5, 0.00311183/step, 1.33221 hours remaining, 234.925781 MB of memory in use. ENERGY: 3458800 3924.1772 20474.8741 14473.9695 231.4741 -203552.1942 2858.0942 0.0000 0.0000 52163.5243 -109426.0809 299.7845 -161589.6051 -109062.0058 298.6461 -102.2094 -73.8576 762576.7702 15.7002 15.6788 PRESSURE: 3459000 -116.456 184.565 -280.435 184.565 310.049 -38.0489 -280.435 -38.0481 -49.4601 GPRESSURE: 3459000 -91.4193 102.184 -203.823 195.612 360.904 8.51452 -277.913 -69.6807 -24.1338 PRESSAVG: 3459000 42.965 -6.42104 40.8305 -6.42102 -7.06572 43.6985 40.8306 43.6986 -4.39486 GPRESSAVG: 3459000 42.4861 -5.26391 40.3129 -4.84548 -6.56263 46.0099 41.7255 41.3807 -4.9528 TIMING: 3459000 CPU: 10807.1, 0.00311308/step Wall: 10807.1, 0.00311308/step, 1.33257 hours remaining, 234.925781 MB of memory in use. ENERGY: 3459000 4011.3978 20504.6578 14416.4752 250.0809 -203280.8740 2700.5649 0.0000 0.0000 51919.1639 -109478.5335 298.3801 -161397.6974 -109121.4126 299.0242 48.0444 81.7837 762114.9330 10.5015 10.3236 PRESSURE: 3459200 103.319 -58.173 47.6767 -58.1728 -201.402 -44.4316 47.6767 -44.4319 194.456 GPRESSURE: 3459200 87.7472 -54.1392 90.2708 37.3182 -130.059 -76.7239 38.8705 3.14508 224.136 PRESSAVG: 3459200 38.4274 -10.8097 -39.0946 -10.8097 -32.2793 58.6325 -39.0946 58.6325 -2.81285 GPRESSAVG: 3459200 39.9737 -10.175 -37.6565 -13.4138 -32.7257 60.4987 -39.834 59.7305 -3.37278 TIMING: 3459200 CPU: 10807.7, 0.00309909/step Wall: 10807.7, 0.00309909/step, 1.32641 hours remaining, 234.925781 MB of memory in use. ENERGY: 3459200 3942.8467 20343.6212 14434.0491 239.9996 -203240.3516 2688.2010 0.0000 0.0000 52107.4453 -109484.1886 299.4622 -161591.6339 -109120.2432 298.8981 32.1245 60.6082 761810.0445 1.1117 1.2917 PRESSURE: 3459400 92.1308 -41.5797 59.3179 -41.5804 257.887 98.0873 59.3199 98.0873 26.3289 GPRESSURE: 3459400 94.0264 -23.0835 63.0887 127.922 275.669 44.0243 -24.6468 123.021 96.2558 PRESSAVG: 3459400 2.25295 -45.8506 0.517045 -45.8506 -20.8942 2.3463 0.517085 2.34632 -10.0023 GPRESSAVG: 3459400 1.1776 -44.4778 0.695441 -44.4916 -21.103 0.224604 0.0297187 2.10327 -8.89308 TIMING: 3459400 CPU: 10808.4, 0.00312572/step Wall: 10808.4, 0.00312572/step, 1.33764 hours remaining, 234.925781 MB of memory in use. ENERGY: 3459400 3953.4956 20445.4344 14540.5463 246.1688 -203265.0811 2612.9480 0.0000 0.0000 52102.1156 -109364.3724 299.4316 -161466.4880 -109006.8629 299.1277 125.4488 155.3170 761923.9795 -9.5479 -9.6062 PRESSURE: 3459600 -284.422 -306.613 245.627 -306.613 -20.971 -56.9972 245.626 -56.9968 -242.399 GPRESSURE: 3459600 -280.73 -286.102 197.238 -210.366 -11.7338 -54.7745 345.298 53.9595 -182.444 PRESSAVG: 3459600 32.707 -69.174 14.2724 -69.174 -8.23531 35.2115 14.2723 35.2115 10.2335 GPRESSAVG: 3459600 32.4169 -68.4532 13.9105 -69.0308 -7.54481 35.3972 15.2749 37.3651 9.60564 TIMING: 3459600 CPU: 10809, 0.00312244/step Wall: 10809, 0.00312244/step, 1.33606 hours remaining, 234.925781 MB of memory in use. ENERGY: 3459600 4005.3338 20635.8113 14504.7441 247.9748 -203334.9877 2776.8839 0.0000 0.0000 52122.7612 -109041.4786 299.5502 -161164.2398 -108683.7423 299.3178 -182.5974 -158.3028 762655.0575 11.5684 11.4926 PRESSURE: 3459800 -130.216 75.0962 182.458 75.0961 -131.467 -235.165 182.458 -235.165 -104.592 GPRESSURE: 3459800 -23.8943 1.86038 219.239 -142.358 -170.78 -123.865 68.1935 -259.229 -87.5216 PRESSAVG: 3459800 62.135 -59.7225 -6.50904 -59.7224 -9.15274 -72.9286 -6.509 -72.9287 2.52952 GPRESSAVG: 3459800 63.5702 -59.5178 -7.7962 -61.1126 -10.0888 -73.0215 -8.60777 -71.7211 2.15051 TIMING: 3459800 CPU: 10809.6, 0.00309833/step Wall: 10809.6, 0.00309833/step, 1.32557 hours remaining, 234.925781 MB of memory in use. ENERGY: 3459800 4035.1321 20546.8455 14565.8701 240.5986 -203012.0108 2562.2513 0.0000 0.0000 52033.8174 -109027.4959 299.0391 -161061.3133 -108676.2012 299.8087 -122.0914 -94.0651 763689.5522 18.5039 18.5439 PRESSURE: 3460000 -93.9861 -133.237 -150.412 -133.237 -247.367 162.112 -150.412 162.112 111.147 GPRESSURE: 3460000 -35.8113 -92.3173 -157.981 -182.804 -206.701 60.9287 -106.199 208.14 89.2308 PRESSAVG: 3460000 43.5428 -82.6526 41.2654 -82.6526 -40.4042 24.904 41.2654 24.904 19.9103 GPRESSAVG: 3460000 40.8497 -85.2269 41.1378 -81.9769 -38.2226 24.8511 43.4734 24.042 19.9759 TIMING: 3460000 CPU: 10810.2, 0.00310092/step Wall: 10810.2, 0.00310092/step, 1.3265 hours remaining, 234.925781 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: 3460000 3977.3155 20545.8953 14438.4130 251.5394 -203154.3747 2451.3069 0.0000 0.0000 52188.6182 -109301.2864 299.9287 -161489.9046 -108932.2021 299.9478 -76.7352 -51.0938 764196.5521 7.6829 7.5343 PRESSURE: 3460200 -74.8584 -134.182 -278.271 -134.182 -50.6106 -40.4901 -278.271 -40.4906 207.773 GPRESSURE: 3460200 3.04444 -77.3152 -229.328 -123.413 -40.3863 -21.3923 -311.584 -50.0948 195.393 PRESSAVG: 3460200 -1.73773 -43.5434 16.0513 -43.5434 -48.8643 -43.3103 16.0512 -43.3104 -6.61198 GPRESSAVG: 3460200 -0.071371 -42.2802 20.3617 -42.8495 -50.3726 -43.0077 14.0066 -43.8515 -5.94401 TIMING: 3460200 CPU: 10810.8, 0.00310785/step Wall: 10810.8, 0.00310785/step, 1.3293 hours remaining, 234.925781 MB of memory in use. ENERGY: 3460200 3934.6788 20545.9109 14500.7920 254.3830 -203223.7036 2795.7452 0.0000 0.0000 51861.2910 -109330.9028 298.0476 -161192.1938 -108965.8700 299.3365 27.4348 52.6837 763678.7638 -19.0713 -18.7960 LDB: ============= START OF LOAD BALANCING ============== 10823.3 LDB: ============== END OF LOAD BALANCING =============== 10823.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10823.3 LDB: ============= START OF LOAD BALANCING ============== 10823.6 LDB: Largest compute 7056 load 0.031359 is 16.1% of average load 0.195147 LDB: Average compute 0.004372 is 2.2% of average load 0.195147 LDB: TIME 10823.6 LOAD: AVG 0.195147 MAX 0.216799 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.023 MB LDB: TIME 10823.6 LOAD: AVG 0.195147 MAX 0.216799 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.23 MB LDB: TIME 10823.6 LOAD: AVG 0.195147 MAX 0.216799 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.23 MB LDB: ============== END OF LOAD BALANCING =============== 10823.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10823.6 PRESSURE: 3460400 -312.642 -72.2699 -203.547 -72.2701 150.84 -38.4642 -203.548 -38.4645 -60.3346 GPRESSURE: 3460400 -326.415 -25.1701 -192.862 -22.6318 204.081 22.4382 -188.852 -84.5747 -42.0652 PRESSAVG: 3460400 23.6488 -10.2852 -40.0574 -10.2852 -46.6571 -30.55 -40.0574 -30.55 -10.0721 GPRESSAVG: 3460400 23.419 -9.36252 -43.4626 -9.70408 -45.9883 -30.0302 -38.2669 -31.7586 -10.3253 TIMING: 3460400 CPU: 10811.5, 0.00318883/step Wall: 10811.5, 0.00318883/step, 1.36376 hours remaining, 234.253906 MB of memory in use. ENERGY: 3460400 3918.6061 20472.8980 14480.0403 237.3226 -203394.7864 2636.3783 0.0000 0.0000 51942.0185 -109707.5227 298.5115 -161649.5412 -109335.3041 298.4224 -74.0455 -54.7999 763821.1256 -11.0268 -10.9649 PRESSURE: 3460600 148.349 16.778 225.921 16.7777 -292.33 -234.126 225.921 -234.126 -931.696 GPRESSURE: 3460600 95.8271 -26.6498 163.24 54.3753 -168.075 -202.176 237.591 -123.947 -903.212 PRESSAVG: 3460600 21.9831 -56.0671 -4.1906 -56.0671 15.6209 -44.6755 -4.19061 -44.6755 10.1981 GPRESSAVG: 3460600 21.2676 -57.0155 -4.12243 -56.2389 16.5215 -46.457 -4.09119 -43.4199 9.65179 TIMING: 3460600 CPU: 10812.1, 0.00311121/step Wall: 10812.1, 0.00311121/step, 1.33039 hours remaining, 234.253906 MB of memory in use. ENERGY: 3460600 4001.6233 20560.8011 14457.4963 230.2602 -203351.7666 2635.7115 0.0000 0.0000 51808.7864 -109657.0877 297.7458 -161465.8741 -109300.6592 298.3965 -358.5587 -325.1535 764248.3755 15.9340 15.8136 PRESSURE: 3460800 223.133 16.6392 -38.4208 16.6396 -48.4887 -128.441 -38.4195 -128.441 -44.3362 GPRESSURE: 3460800 293.321 0.844389 -0.236119 119.94 -17.1512 -76.6266 -94.9174 -76.5569 -65.3888 PRESSAVG: 3460800 34.3269 -63.1242 1.96076 -63.1242 -33.8501 -2.67065 1.96073 -2.67072 -0.359628 GPRESSAVG: 3460800 35.4538 -63.1581 1.07075 -63.7612 -35.0304 -2.39795 3.46805 -2.46196 -0.249783 TIMING: 3460800 CPU: 10812.7, 0.00312917/step Wall: 10812.7, 0.00312917/step, 1.3379 hours remaining, 234.253906 MB of memory in use. ENERGY: 3460800 3951.7365 20600.6347 14433.4423 245.9237 -203855.1551 3217.8433 0.0000 0.0000 51905.2791 -109500.2956 298.3004 -161405.5747 -109146.5214 298.2760 43.4361 70.2605 764653.5266 0.0391 0.0579 PRESSURE: 3461000 42.5357 -5.35718 133.931 -5.35672 -71.7769 135.736 133.931 135.737 11.415 GPRESSURE: 3461000 79.5091 5.98349 100.882 -146.776 -53.9034 142.56 161.247 -6.44199 23.2098 PRESSAVG: 3461000 31.495 -22.2929 16.0397 -22.2929 9.97755 15.4347 16.0397 15.4347 -12.9179 GPRESSAVG: 3461000 31.772 -21.3543 17.6777 -24.2024 8.67744 15.4382 14.909 13.3332 -12.4518 TIMING: 3461000 CPU: 10813.3, 0.00312453/step Wall: 10813.3, 0.00312453/step, 1.33574 hours remaining, 234.253906 MB of memory in use. ENERGY: 3461000 3966.2356 20386.7414 14452.2798 257.2278 -203329.9555 2778.9592 0.0000 0.0000 51928.9957 -109559.5160 298.4367 -161488.5117 -109195.8843 298.2953 -5.9421 16.2718 763814.2971 9.5182 9.3325 PRESSURE: 3461200 -72.5662 147.343 132.839 147.343 -119.896 -136.723 132.838 -136.723 -208.644 GPRESSURE: 3461200 -67.5893 -18.7187 109.976 175.667 -93.8075 -142.099 232.381 -106.718 -157.28 PRESSAVG: 3461200 4.93582 -14.9515 -33.2871 -14.9515 -32.4283 40.956 -33.287 40.956 -17.6948 GPRESSAVG: 3461200 3.28102 -14.6672 -35.6625 -12.9122 -31.6607 42.238 -33.965 40.6204 -16.7392 TIMING: 3461200 CPU: 10814, 0.00310641/step Wall: 10814, 0.00310641/step, 1.32782 hours remaining, 234.253906 MB of memory in use. ENERGY: 3461200 3932.7932 20458.5502 14445.9751 238.7904 -203526.4206 2622.4791 0.0000 0.0000 52071.1458 -109756.6867 299.2536 -161827.8325 -109388.5180 298.1650 -133.7022 -106.2255 763315.7326 -15.0624 -15.0396 PRESSURE: 3461400 -21.9644 167.895 -160.474 167.895 104.952 -83.1757 -160.475 -83.1759 162.299 GPRESSURE: 3461400 -21.8826 72.4475 -224.243 192.949 178.817 -39.6239 -84.0927 27.7534 198.623 PRESSAVG: 3461400 -19.2233 -8.26986 -20.7427 -8.26979 15.8049 9.80722 -20.7427 9.80732 11.5221 GPRESSAVG: 3461400 -18.0721 -8.01197 -18.9998 -8.89271 15.8393 8.51196 -19.9588 12.3984 10.6906 TIMING: 3461400 CPU: 10814.6, 0.00310653/step Wall: 10814.6, 0.00310653/step, 1.3277 hours remaining, 234.253906 MB of memory in use. ENERGY: 3461400 4032.3374 20486.7117 14409.8468 239.9634 -203642.4171 2941.3861 0.0000 0.0000 51847.0815 -109685.0902 297.9659 -161532.1717 -109336.9406 298.3124 81.7623 118.5190 762312.6306 2.7012 2.8193 PRESSURE: 3461600 167.462 93.9764 -45.2243 93.9768 -61.8951 -24.836 -45.2239 -24.8358 168.406 GPRESSURE: 3461600 160.893 74.4452 -89.2246 27.0161 81.2624 -37.5317 -185.952 -69.2011 109.233 PRESSAVG: 3461600 64.6056 -19.5592 -35.4368 -19.5593 -54.3316 3.56316 -35.4368 3.56327 9.50466 GPRESSAVG: 3461600 65.3551 -19.4368 -35.5411 -20.2104 -53.7203 2.481 -36.3187 1.11133 7.99685 TIMING: 3461600 CPU: 10815.2, 0.00311127/step Wall: 10815.2, 0.00311127/step, 1.32955 hours remaining, 234.253906 MB of memory in use. ENERGY: 3461600 3878.6323 20468.3302 14528.0453 253.6466 -203629.7153 2903.8916 0.0000 0.0000 51862.8187 -109734.3507 298.0563 -161597.1694 -109361.1226 298.1734 91.3246 117.1297 762576.4475 6.5929 6.5439 PRESSURE: 3461800 -63.7541 34.3975 -81.0731 34.3976 -330.71 276.982 -81.0728 276.981 -178.596 GPRESSURE: 3461800 -71.0827 98.9522 -136.886 39.1084 -252.035 330.289 119.215 384.667 -196.003 PRESSAVG: 3461800 35.2695 -34.9727 -10.4159 -34.9727 -31.2014 9.92224 -10.4159 9.92223 15.4747 GPRESSAVG: 3461800 33.5404 -35.6899 -11.3681 -32.7232 -31.2828 10.5061 -10.9613 12.7852 17.1185 TIMING: 3461800 CPU: 10815.8, 0.00310468/step Wall: 10815.8, 0.00310468/step, 1.32656 hours remaining, 234.253906 MB of memory in use. ENERGY: 3461800 4042.7634 20488.9895 14442.5394 253.6816 -203213.6011 2460.6135 0.0000 0.0000 52029.5130 -109495.5007 299.0143 -161525.0138 -109133.0082 298.4922 -191.0198 -173.0400 762181.6074 6.5143 6.4587 PRESSURE: 3462000 -13.3153 -112.822 -120.383 -112.822 -241.096 -141.014 -120.383 -141.014 -473.473 GPRESSURE: 3462000 -26.571 -182.869 -93.4685 -63.1055 -183.725 -179.123 -103.785 -64.0031 -454.199 PRESSAVG: 3462000 103.622 -26.2336 9.4062 -26.2336 -80.4572 24.3017 9.40622 24.3016 26.4596 GPRESSAVG: 3462000 103.987 -25.4444 9.68079 -26.3301 -80.5939 24.0957 12.608 22.5061 26.1069 TIMING: 3462000 CPU: 10816.5, 0.00312481/step Wall: 10816.5, 0.00312481/step, 1.33499 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3462000 4036.2833 20484.3736 14468.5143 257.2915 -203276.2495 2607.5293 0.0000 0.0000 52110.3298 -109311.9277 299.4788 -161422.2575 -108963.0826 299.3752 -242.6279 -221.4985 764065.5613 16.5416 16.5000 PRESSURE: 3462200 -165.317 -73.0973 75.2489 -73.0971 86.1848 4.03597 75.2484 4.03675 -155.966 GPRESSURE: 3462200 -104.589 -7.73148 110.097 -55.3616 64.9714 -52.2784 140.657 -89.5755 -108.2 PRESSAVG: 3462200 87.2739 -28.7987 9.77528 -28.7987 -75.2623 4.29372 9.77531 4.29373 -9.2278 GPRESSAVG: 3462200 87.3724 -29.2906 10.1289 -30.3931 -75.6321 4.24961 6.73657 4.38512 -8.96101 TIMING: 3462200 CPU: 10817.1, 0.00311183/step Wall: 10817.1, 0.00311183/step, 1.32927 hours remaining, 234.253906 MB of memory in use. ENERGY: 3462200 3924.0852 20512.2623 14423.9462 251.3800 -203352.8184 2790.2724 0.0000 0.0000 51901.6163 -109549.2561 298.2793 -161450.8724 -109191.8165 298.8363 -78.3660 -49.2725 763212.9528 0.9279 0.9264 PRESSURE: 3462400 239.947 -146.852 -78.1806 -146.852 219.755 214.467 -78.1808 214.467 450.936 GPRESSURE: 3462400 224.328 -168.972 -57.8834 -70.6577 272.689 287.684 -5.28762 51.4968 492.372 PRESSAVG: 3462400 44.9969 -33.3443 8.35691 -33.3444 -5.30326 2.70178 8.35692 2.70169 -1.98703 GPRESSAVG: 3462400 45.4586 -31.372 8.5885 -33.6892 -6.68528 2.08325 10.3944 2.66695 -0.717603 TIMING: 3462400 CPU: 10817.7, 0.00312354/step Wall: 10817.7, 0.00312354/step, 1.3341 hours remaining, 234.253906 MB of memory in use. ENERGY: 3462400 4052.6720 20549.3998 14405.8259 241.0441 -203187.1390 2645.4850 0.0000 0.0000 51696.1470 -109596.5652 297.0985 -161292.7122 -109241.6828 298.1911 303.5461 329.7966 762698.8330 12.5689 12.6852 PRESSURE: 3462600 -33.3596 -174.6 74.2736 -174.6 30.3461 -209.643 74.2741 -209.642 -9.29608 GPRESSURE: 3462600 63.8063 -190.216 58.3211 -68.3044 64.2201 -190.933 41.0437 -128.244 -73.8487 PRESSAVG: 3462600 61.0966 -60.1915 -19.3641 -60.1915 -68.082 -11.7835 -19.364 -11.7835 1.77278 GPRESSAVG: 3462600 60.8039 -62.1122 -21.3063 -60.783 -67.0752 -9.50374 -18.8779 -11.3103 0.785024 TIMING: 3462600 CPU: 10818.3, 0.00313138/step Wall: 10818.3, 0.00313138/step, 1.33728 hours remaining, 234.253906 MB of memory in use. ENERGY: 3462600 3963.4850 20583.3677 14417.4908 243.1034 -203665.2267 3022.2442 0.0000 0.0000 51896.8951 -109538.6404 298.2522 -161435.5355 -109192.1059 298.0087 -4.1032 18.0592 761328.1504 -1.7376 -1.8288 PRESSURE: 3462800 -167.596 -71.5884 -215.088 -71.5894 -552.205 138.534 -215.089 138.533 -11.1384 GPRESSURE: 3462800 -200.371 -155.79 -164.647 -113.222 -490.402 158.173 -212.817 -3.87505 60.0049 PRESSAVG: 3462800 -4.16055 -36.5115 8.08225 -36.5115 -44.17 -9.55382 8.08225 -9.55386 3.68353 GPRESSAVG: 3462800 -3.79092 -36.4816 10.3454 -35.0248 -45.0534 -10.0678 5.11894 -8.08625 4.49353 TIMING: 3462800 CPU: 10819, 0.00313258/step Wall: 10819, 0.00313258/step, 1.33761 hours remaining, 234.253906 MB of memory in use. ENERGY: 3462800 4013.8332 20507.8403 14426.8426 253.2738 -202891.3448 2388.7943 0.0000 0.0000 51707.6616 -109593.0990 297.1646 -161300.7606 -109237.2036 298.5224 -243.6465 -210.2563 763887.1681 -14.8823 -14.7836 PRESSURE: 3463000 -85.1586 270.717 242.811 270.717 -274.564 19.6669 242.812 19.6662 -679.1 GPRESSURE: 3463000 -47.7755 232.89 200.007 174.103 -230.624 -34.0011 176.372 -6.90875 -676.024 PRESSAVG: 3463000 51.7937 29.887 90.8928 29.8871 -12.1556 -11.0237 90.8928 -11.0237 19.5826 GPRESSAVG: 3463000 50.7718 28.8337 91.614 28.7741 -9.78287 -10.9152 90.0946 -12.8952 18.1211 TIMING: 3463000 CPU: 10819.6, 0.00310169/step Wall: 10819.6, 0.00310169/step, 1.32425 hours remaining, 234.253906 MB of memory in use. ENERGY: 3463000 3985.1534 20557.1481 14428.2533 240.3743 -203189.8119 2495.4015 0.0000 0.0000 51913.7390 -109569.7422 298.3490 -161483.4812 -109207.2133 298.4930 -346.2742 -318.1412 761966.7611 19.7402 19.7033 PRESSURE: 3463200 -230.835 64.739 21.9332 64.7392 -349.383 146.181 21.933 146.183 -46.5634 GPRESSURE: 3463200 -163.528 153.943 -31.4602 32.3661 -301.749 81.9855 45.0548 220.232 -63.2147 PRESSAVG: 3463200 90.1427 -35.9668 81.4853 -35.9668 -80.9172 -25.501 81.4853 -25.501 -15.3274 GPRESSAVG: 3463200 92.615 -33.2388 79.6631 -35.6328 -83.6527 -25.3693 83.0184 -25.1337 -14.7092 TIMING: 3463200 CPU: 10820.2, 0.00311677/step Wall: 10820.2, 0.00311678/step, 1.33052 hours remaining, 234.253906 MB of memory in use. ENERGY: 3463200 3894.6015 20407.4608 14479.0575 248.9513 -203490.1723 2702.6231 0.0000 0.0000 52119.2208 -109638.2574 299.5299 -161757.4782 -109278.8224 298.5130 -208.9271 -176.1637 764329.8841 -2.0340 -1.9156 PRESSURE: 3463400 -175.434 -130.821 18.6646 -130.82 -383.992 162.317 18.6644 162.317 -382.548 GPRESSURE: 3463400 -193.476 -89.0344 20.0783 -10.7271 -289.712 179.937 -119.552 -17.8388 -376.561 PRESSAVG: 3463400 64.3423 -51.2931 1.07806 -51.293 -43.4687 -44.9932 1.07809 -44.9932 -19.4522 GPRESSAVG: 3463400 62.3727 -51.4941 0.491822 -49.8198 -40.9158 -44.1817 1.90805 -45.3851 -19.1866 TIMING: 3463400 CPU: 10820.8, 0.00313529/step Wall: 10820.8, 0.00313529/step, 1.33825 hours remaining, 234.253906 MB of memory in use. ENERGY: 3463400 4026.1060 20496.7113 14475.7726 256.5540 -203090.5549 2477.0839 0.0000 0.0000 51929.2214 -109429.1056 298.4379 -161358.3270 -109071.4987 299.0415 -313.9914 -286.5831 764135.4968 0.4738 0.7568 PRESSURE: 3463600 -249.794 164.065 -89.412 164.064 -120.702 70.2998 -89.4117 70.3001 -164.007 GPRESSURE: 3463600 -243.494 120.972 -46.7992 34.5594 -93.1552 8.92187 30.8003 159.282 -128.421 PRESSAVG: 3463600 26.9652 -61.4687 49.5497 -61.4686 -32.2396 -52.942 49.5497 -52.942 12.8183 GPRESSAVG: 3463600 26.2661 -63.9867 50.4798 -61.6167 -31.4653 -54.3066 50.3137 -53.6606 12.8575 TIMING: 3463600 CPU: 10821.5, 0.00314171/step Wall: 10821.5, 0.00314171/step, 1.34081 hours remaining, 234.253906 MB of memory in use. ENERGY: 3463600 3964.4634 20484.1948 14567.6014 249.3025 -203546.9518 2636.8662 0.0000 0.0000 52048.3033 -109596.2202 299.1223 -161644.5235 -109233.4165 298.8128 -178.1678 -155.0234 762282.0891 2.5146 2.5527 PRESSURE: 3463800 -313.571 45.665 92.6495 45.6649 -7.39204 -109.091 92.6493 -109.092 70.7286 GPRESSURE: 3463800 -156.437 83.4162 89.3692 79.3959 -86.2105 -257.472 98.3357 -163.769 66.2162 PRESSAVG: 3463800 -29.0522 -8.23632 63.8331 -8.23633 -6.06851 -29.5119 63.8331 -29.5119 -4.18132 GPRESSAVG: 3463800 -28.5888 -6.75736 63.3553 -7.77513 -7.16281 -29.4175 62.1882 -28.981 -3.81897 TIMING: 3463800 CPU: 10822.1, 0.00312458/step Wall: 10822.1, 0.00312458/step, 1.33333 hours remaining, 234.253906 MB of memory in use. ENERGY: 3463800 3875.5933 20594.5117 14479.7248 249.4118 -203288.1586 2652.0141 0.0000 0.0000 51956.0992 -109480.8037 298.5924 -161436.9029 -109130.1778 298.5928 -83.4115 -58.8103 763276.0336 -13.1007 -13.1902 PRESSURE: 3464000 -101.015 72.6098 -45.4867 72.6103 21.4269 62.4337 -45.4866 62.4337 79.5498 GPRESSURE: 3464000 -55.1367 106.832 -10.0154 92.033 10.1106 109.51 -15.392 -8.40283 100.803 PRESSAVG: 3464000 -14.6075 25.5388 28.9504 25.5388 -14.9844 16.3825 28.9504 16.3824 0.0328535 GPRESSAVG: 3464000 -13.6562 25.7911 30.939 23.9984 -15.2532 16.4153 28.4711 17.5326 -0.832383 TIMING: 3464000 CPU: 10822.7, 0.00313633/step Wall: 10822.7, 0.00313633/step, 1.33817 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3464000 3936.5004 20401.9134 14467.1659 250.5874 -203513.1970 2792.8517 0.0000 0.0000 52218.3290 -109445.8493 300.0995 -161664.1783 -109077.9363 298.6350 -0.0128 18.5922 763502.5145 -9.8530 -9.9139 PRESSURE: 3464200 244.581 -202.055 -308.021 -202.055 383.314 11.0588 -308.02 11.0592 -289.597 GPRESSURE: 3464200 245.804 -166.778 -354.314 -87.115 373.773 118.52 -184.895 -12.6679 -220.733 PRESSAVG: 3464200 10.8042 -64.8539 -20.2321 -64.854 21.943 -21.5273 -20.2321 -21.5272 7.64686 GPRESSAVG: 3464200 8.69533 -65.9499 -22.0516 -63.9392 23.3066 -20.5659 -20.159 -21.9371 8.00584 TIMING: 3464200 CPU: 10823.3, 0.0031149/step Wall: 10823.3, 0.0031149/step, 1.32885 hours remaining, 234.253906 MB of memory in use. ENERGY: 3464200 3906.3528 20465.1886 14432.0215 250.9601 -203351.8723 2834.4192 0.0000 0.0000 51982.4989 -109480.4311 298.7441 -161462.9300 -109121.1734 298.6871 112.7660 132.9479 762036.8965 13.4647 13.3359 LDB: ============= START OF LOAD BALANCING ============== 10835.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10835.8 LDB: =============== DONE WITH MIGRATION ================ 10835.8 LDB: ============= START OF LOAD BALANCING ============== 10836.1 LDB: Largest compute 7041 load 0.029206 is 15.0% of average load 0.195158 LDB: Average compute 0.004379 is 2.2% of average load 0.195158 LDB: TIME 10836.1 LOAD: AVG 0.195158 MAX 0.214952 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.23 MB LDB: TIME 10836.1 LOAD: AVG 0.195158 MAX 0.214952 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.234 MB LDB: TIME 10836.1 LOAD: AVG 0.195158 MAX 0.214952 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.234 MB LDB: ============== END OF LOAD BALANCING =============== 10836.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10836.1 PRESSURE: 3464400 -19.4318 -137.644 -36.4855 -137.645 2.47762 119.939 -36.4852 119.939 -20.5409 GPRESSURE: 3464400 -26.1296 -113.273 28.6792 -154.868 -15.6839 119.764 41.215 52.0289 102.824 PRESSAVG: 3464400 -50.6276 -51.8015 -87.3295 -51.8015 53.708 -23.8651 -87.3295 -23.865 -4.13292 GPRESSAVG: 3464400 -51.1195 -52.1977 -86.8904 -51.4825 52.3058 -22.9962 -85.8827 -24.3024 -2.52687 TIMING: 3464400 CPU: 10824, 0.00318107/step Wall: 10824, 0.00318107/step, 1.3569 hours remaining, 235.023438 MB of memory in use. ENERGY: 3464400 3986.4187 20594.1537 14497.9402 255.5531 -202823.4932 2525.9328 0.0000 0.0000 51678.7135 -109284.7812 296.9983 -160963.4948 -108915.8759 298.8758 -12.4984 20.3369 763440.1153 -0.3509 -0.4469 PRESSURE: 3464600 -135.076 173.017 -37.1872 173.017 89.6666 -191.621 -37.1872 -191.621 -270.659 GPRESSURE: 3464600 -139.865 197.225 37.5174 215.997 160.58 -104.218 -1.33388 -282.881 -252.343 PRESSAVG: 3464600 8.35513 47.1883 -8.77825 47.1883 3.60911 -12.1715 -8.77826 -12.1714 9.48984 GPRESSAVG: 3464600 9.09884 48.6539 -8.36321 46.27 5.13064 -12.8686 -9.63292 -13.6839 7.73113 TIMING: 3464600 CPU: 10824.6, 0.00311649/step Wall: 10824.6, 0.00311649/step, 1.32918 hours remaining, 235.093750 MB of memory in use. ENERGY: 3464600 4011.1603 20538.3438 14420.2262 241.5213 -203249.9579 2623.4327 0.0000 0.0000 51980.4288 -109434.8449 298.7322 -161415.2737 -109075.5718 298.5741 -105.3561 -77.2092 761804.8836 7.1514 7.3202 PRESSURE: 3464800 -210.206 282.6 -144.059 282.599 -193.091 -84.157 -144.058 -84.1579 -351.223 GPRESSURE: 3464800 -198.862 250.067 -169.191 172.974 -101.085 -50.1471 -280.285 -50.482 -371.007 PRESSAVG: 3464800 -28.8363 4.60557 -13.2001 4.60558 47.5409 -30.4453 -13.2001 -30.4453 2.07039 GPRESSAVG: 3464800 -28.0625 5.18295 -12.5939 3.76857 45.6827 -28.8659 -12.0794 -28.0248 3.15022 TIMING: 3464800 CPU: 10825.2, 0.00312682/step Wall: 10825.2, 0.00312682/step, 1.33341 hours remaining, 235.093750 MB of memory in use. ENERGY: 3464800 3957.7567 20688.9136 14387.6780 263.7262 -203284.1760 2703.8363 0.0000 0.0000 51930.3605 -109351.9046 298.4445 -161282.2651 -108993.5059 298.9938 -251.5067 -223.6512 762254.4010 6.9250 6.9235 PRESSURE: 3465000 -93.8051 34.7696 135.684 34.7696 -50.8354 59.0434 135.684 59.0424 -81.1924 GPRESSURE: 3465000 -16.7187 10.0146 122.41 49.9694 -95.5279 47.6831 181.127 8.06446 -18.8712 PRESSAVG: 3465000 20.456 -3.45559 -55.2052 -3.45562 33.5286 30.36 -55.2052 30.36 0.892818 GPRESSAVG: 3465000 20.5635 -4.43026 -56.1706 -1.69264 34.2059 28.3223 -55.2605 29.2821 -0.350415 TIMING: 3465000 CPU: 10825.8, 0.00310581/step Wall: 10825.8, 0.00310581/step, 1.32428 hours remaining, 235.093750 MB of memory in use. ENERGY: 3465000 4056.3593 20512.9933 14451.8446 263.6281 -203743.4662 2750.9529 0.0000 0.0000 52347.2539 -109360.4342 300.8404 -161707.6880 -108999.2308 299.2966 -75.2777 -43.7059 761829.1016 18.2925 18.1397 PRESSURE: 3465200 345.713 66.1283 -107.778 66.1287 192.78 21.8359 -107.778 21.8366 254.736 GPRESSURE: 3465200 323.829 -43.6466 -27.9012 43.4373 247.644 23.7303 -135.238 -55.1223 311.18 PRESSAVG: 3465200 4.99752 -12.7272 -36.7576 -12.7271 -10.2524 -38.9599 -36.7576 -38.9599 15.5901 GPRESSAVG: 3465200 5.02487 -13.6695 -35.9976 -11.0143 -9.76708 -37.6712 -39.1745 -38.8361 14.4051 TIMING: 3465200 CPU: 10826.5, 0.00309405/step Wall: 10826.5, 0.00309405/step, 1.3191 hours remaining, 235.093750 MB of memory in use. ENERGY: 3465200 3937.0632 20360.2279 14433.5967 242.2652 -203852.7496 3166.0128 0.0000 0.0000 52262.1509 -109451.4329 300.3513 -161713.5838 -109075.9758 299.7974 264.4098 294.2175 762842.1782 3.4451 3.2210 PRESSURE: 3465400 8.70342 -177.704 -21.2959 -177.704 114.286 -219.579 -21.296 -219.579 94.9798 GPRESSURE: 3465400 92.6234 -156.356 -64.8528 -304.63 119.757 -217.915 86.6555 -216.601 76.8455 PRESSAVG: 3465400 -1.12273 -47.3075 -41.9617 -47.3076 -7.15867 -22.6719 -41.9617 -22.6718 -22.0557 GPRESSAVG: 3465400 -2.12357 -47.6446 -42.8184 -49.8054 -8.20404 -22.8287 -42.6508 -21.491 -20.5063 TIMING: 3465400 CPU: 10827.1, 0.00310734/step Wall: 10827.1, 0.00310734/step, 1.32459 hours remaining, 235.093750 MB of memory in use. ENERGY: 3465400 4022.9749 20532.1189 14482.3915 219.7769 -203440.4457 2834.6511 0.0000 0.0000 51809.7938 -109538.7387 297.7516 -161348.5325 -109180.5819 299.0257 72.6563 96.4086 762856.0677 -10.1124 -10.2780 PRESSURE: 3465600 256.734 -2.96333 -101.082 -2.96346 -219.041 -15.5899 -101.082 -15.5911 -121.629 GPRESSURE: 3465600 233.358 -48.23 -5.46383 -20.687 -251.216 -98.1592 24.3097 -27.4091 -4.91384 PRESSAVG: 3465600 -42.9133 -41.8378 -7.79718 -41.8377 22.607 -35.248 -7.79712 -35.248 -2.30823 GPRESSAVG: 3465600 -42.8338 -40.2178 -5.38589 -41.877 22.7412 -36.9705 -5.17022 -37.6636 -2.70492 TIMING: 3465600 CPU: 10827.7, 0.00313443/step Wall: 10827.7, 0.00313443/step, 1.33596 hours remaining, 235.093750 MB of memory in use. ENERGY: 3465600 4014.7127 20423.9639 14518.8377 254.1835 -203341.0104 2643.0439 0.0000 0.0000 51846.2925 -109639.9762 297.9614 -161486.2687 -109280.2247 298.4113 -27.9787 -7.5906 761544.4129 -7.5382 -7.5992 PRESSURE: 3465800 -91.7693 -56.3878 98.0622 -56.3871 -109.965 -19.3309 98.0626 -19.3319 332.237 GPRESSURE: 3465800 -50.5626 -112.77 124.196 -138.882 -64.0157 -80.1301 19.2755 46.2116 317.295 PRESSAVG: 3465800 -26.5264 -57.3331 -28.3893 -57.3331 68.5118 60.1711 -28.3892 60.171 -3.95419 GPRESSAVG: 3465800 -25.9819 -59.1785 -29.4113 -56.831 68.0283 60.4051 -30.6659 62.4764 -4.06025 TIMING: 3465800 CPU: 10828.3, 0.00313524/step Wall: 10828.3, 0.00313524/step, 1.33613 hours remaining, 235.093750 MB of memory in use. ENERGY: 3465800 3903.9854 20485.3098 14513.0430 264.3434 -203156.3701 2429.9642 0.0000 0.0000 52198.1789 -109361.5455 299.9837 -161559.7244 -109001.7807 298.7668 43.5009 67.5723 760267.2299 12.6771 12.6620 PRESSURE: 3466000 27.9631 -126.681 279.846 -126.681 -29.6185 146.392 279.846 146.392 -172.602 GPRESSURE: 3466000 130.486 -156.769 190.975 -94.0955 66.3212 41.7657 317.715 30.6809 -275.883 PRESSAVG: 3466000 7.71341 -52.1695 -14.1689 -52.1695 24.0955 24.6025 -14.1688 24.6025 17.4882 GPRESSAVG: 3466000 7.02801 -50.4719 -16.3727 -53.1434 24.8178 26.0183 -13.4288 22.3618 17.5793 TIMING: 3466000 CPU: 10829, 0.00311019/step Wall: 10829, 0.00311019/step, 1.32529 hours remaining, 235.093750 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: 3466000 4013.1156 20452.1819 14508.5222 248.6947 -203156.2062 2714.4663 0.0000 0.0000 52149.9838 -109069.2416 299.7067 -161219.2254 -108715.0737 299.2028 -58.0859 -26.3587 763689.6106 16.4324 16.4750 PRESSURE: 3466200 -360.509 -102.761 -135.053 -102.761 -5.65399 -76.1516 -135.052 -76.1514 -394.154 GPRESSURE: 3466200 -336.62 -111.334 -63.7312 -119.636 39.238 -76.375 -100.972 -37.5252 -375.241 PRESSAVG: 3466200 21.8286 16.5063 15.5049 16.5063 -45.6251 29.5556 15.5049 29.5556 -2.61805 GPRESSAVG: 3466200 22.9527 16.052 15.2277 19.6095 -46.9066 28.2786 15.3438 28.5502 -2.60713 TIMING: 3466200 CPU: 10829.6, 0.00311475/step Wall: 10829.6, 0.00311475/step, 1.32706 hours remaining, 235.093750 MB of memory in use. ENERGY: 3466200 3993.2527 20541.5586 14498.5592 254.6948 -203033.5757 2659.3157 0.0000 0.0000 51915.4343 -109170.7604 298.3587 -161086.1947 -108806.4941 299.5869 -253.4391 -224.2074 765169.9731 -8.8049 -8.8537 PRESSURE: 3466400 -149.317 -39.5944 -62.4688 -39.5951 -165.754 -28.571 -62.4681 -28.5704 332.63 GPRESSURE: 3466400 -97.3761 -83.928 -12.3334 -150.334 -142.002 -5.57344 37.1926 -20.7687 341.855 PRESSAVG: 3466400 2.62934 11.5399 -6.28392 11.5399 -4.72764 -22.7823 -6.28394 -22.7823 -17.0458 GPRESSAVG: 3466400 1.14956 11.8091 -5.9478 8.49596 -4.21091 -21.8721 -3.91013 -18.9043 -16.454 TIMING: 3466400 CPU: 10830.2, 0.00314822/step Wall: 10830.2, 0.00314822/step, 1.34114 hours remaining, 235.093750 MB of memory in use. ENERGY: 3466400 4013.0672 20617.6151 14494.1847 258.4843 -203169.8808 2568.6491 0.0000 0.0000 52122.0492 -109095.8311 299.5461 -161217.8804 -108733.7503 299.2989 5.8530 34.1589 763544.8584 -6.3814 -6.5051 PRESSURE: 3466600 -19.5368 -83.3982 149.382 -83.3994 -269.098 -91.0605 149.382 -91.0606 65.7767 GPRESSURE: 3466600 -71.005 -15.996 101.761 -92.8659 -136.443 -97.6556 90.1085 -149.463 98.1954 PRESSAVG: 3466600 19.3538 -12.2258 44.5099 -12.2258 8.13678 -60.5489 44.5099 -60.5489 -19.136 GPRESSAVG: 3466600 18.1424 -13.2849 44.2492 -11.6478 9.27846 -60.8799 42.6031 -63.4253 -19.256 TIMING: 3466600 CPU: 10830.8, 0.00316272/step Wall: 10830.8, 0.00316272/step, 1.34714 hours remaining, 235.093750 MB of memory in use. ENERGY: 3466600 3984.3884 20327.9306 14522.2846 243.9971 -202988.9101 2549.3527 0.0000 0.0000 52135.5218 -109225.4349 299.6236 -161360.9566 -108865.0778 299.2691 -74.2860 -36.4175 763693.8994 2.7848 2.7216 PRESSURE: 3466800 141.871 190.668 -146.281 190.668 68.0458 -11.046 -146.282 -11.0453 279.244 GPRESSURE: 3466800 121.297 153.166 -149.638 212.935 110.266 -17.9402 -153.088 96.4413 329.187 PRESSAVG: 3466800 -12.2069 26.0681 -11.2711 26.0681 -15.7398 -1.60163 -11.2711 -1.60168 -7.73116 GPRESSAVG: 3466800 -10.5736 26.6165 -11.6907 25.1825 -16.5099 -0.42463 -11.2168 -0.00983574 -8.71266 TIMING: 3466800 CPU: 10831.5, 0.00315627/step Wall: 10831.5, 0.00315627/step, 1.34422 hours remaining, 235.093750 MB of memory in use. ENERGY: 3466800 4038.9524 20541.0835 14500.2974 228.7404 -203507.4070 2919.0475 0.0000 0.0000 52106.0541 -109173.2317 299.4542 -161279.2858 -108814.5100 299.1186 163.0535 186.9165 763139.5378 -11.8926 -11.9320 PRESSURE: 3467000 -195.591 -118.679 -289.083 -118.68 -246.128 -224.067 -289.084 -224.068 120.977 GPRESSURE: 3467000 -129.925 -120.622 -265.896 -87.0113 -206.649 -301.04 -241.287 -231.92 91.9307 PRESSAVG: 3467000 27.6855 5.61676 -1.89942 5.61674 -14.9705 -44.3223 -1.89943 -44.3223 -6.46126 GPRESSAVG: 3467000 27.7654 6.12468 -0.348087 5.85016 -15.1011 -44.6398 -0.677187 -43.9215 -6.78512 TIMING: 3467000 CPU: 10832.1, 0.00313804/step Wall: 10832.1, 0.00313804/step, 1.33628 hours remaining, 235.093750 MB of memory in use. ENERGY: 3467000 4036.9489 20431.9251 14475.7847 237.6644 -203044.2445 2507.5279 0.0000 0.0000 52074.6010 -109279.7924 299.2734 -161354.3934 -108912.5803 299.0063 -106.9136 -81.5477 763444.6571 2.0846 1.9597 PRESSURE: 3467200 -67.8323 293.085 251.801 293.085 -67.2144 24.6757 251.8 24.6765 9.46698 GPRESSURE: 3467200 -31.9793 226.142 164.871 160.835 0.418094 52.4085 159.666 -116.539 -18.7902 PRESSAVG: 3467200 7.00631 30.294 1.02611 30.294 -26.1469 -20.7437 1.02607 -20.7437 -14.6371 GPRESSAVG: 3467200 7.30479 29.7231 -0.561816 31.0099 -25.5483 -22.4227 0.725691 -22.51 -15.2567 TIMING: 3467200 CPU: 10832.7, 0.00315004/step Wall: 10832.7, 0.00315004/step, 1.34122 hours remaining, 235.093750 MB of memory in use. ENERGY: 3467200 3970.2787 20398.1524 14475.4510 267.0592 -203281.5910 2797.3138 0.0000 0.0000 52124.9132 -109248.4228 299.5626 -161373.3360 -108879.0280 299.2314 -41.8599 -16.7838 762301.8167 -11.2592 -11.1667 PRESSURE: 3467400 -30.7766 26.2671 -65.7672 26.2676 -17.9751 -107.219 -65.7672 -107.219 -57.0945 GPRESSURE: 3467400 -2.25859 22.5014 -63.5817 128.911 2.30666 -28.0391 -16.5501 46.5204 -4.48329 PRESSAVG: 3467400 -0.800694 40.1868 -19.7799 40.1867 -31.5032 36.6938 -19.7799 36.6938 7.28073 GPRESSAVG: 3467400 0.24493 39.0659 -19.3096 39.8718 -33.4081 37.431 -20.4856 37.1963 8.25059 TIMING: 3467400 CPU: 10833.4, 0.00314767/step Wall: 10833.4, 0.00314767/step, 1.34003 hours remaining, 235.093750 MB of memory in use. ENERGY: 3467400 3981.8370 20521.0665 14505.5021 241.4885 -203196.6106 2598.5882 0.0000 0.0000 51934.7506 -109413.3776 298.4697 -161348.1283 -109046.8074 299.1654 -35.2821 -1.4784 763022.8945 -8.3410 -8.3042 PRESSURE: 3467600 93.9749 67.9408 27.584 67.9405 -79.4431 -191.109 27.5841 -191.108 -111.118 GPRESSURE: 3467600 66.97 99.4514 90.3528 103.281 18.9239 -202.033 101.764 -74.4949 -102.503 PRESSAVG: 3467600 7.98871 8.81733 -14.2755 8.8173 17.1877 -31.7749 -14.2755 -31.7749 -3.57512 GPRESSAVG: 3467600 8.26604 11.5725 -13.1256 8.78082 17.2219 -30.3969 -17.2167 -31.8508 -4.42532 TIMING: 3467600 CPU: 10834, 0.00312516/step Wall: 10834, 0.00312515/step, 1.33027 hours remaining, 235.093750 MB of memory in use. ENERGY: 3467600 4050.1488 20600.3827 14461.3306 234.1033 -203673.5699 2989.0524 0.0000 0.0000 52138.0907 -109200.4614 299.6383 -161338.5521 -108843.3808 298.9977 -32.1956 -5.5365 763279.0993 7.2004 7.0209 PRESSURE: 3467800 -348.279 -43.3825 104.715 -43.3824 -170.059 -130.958 104.715 -130.959 513.672 GPRESSURE: 3467800 -352.569 -48.925 107.311 -8.67197 -87.8222 -63.5768 225.44 -155.253 512.107 PRESSAVG: 3467800 -17.9961 0.514827 20.8584 0.5148 77.7463 -46.9947 20.8584 -46.9947 -1.21124 GPRESSAVG: 3467800 -19.8813 0.0996702 18.7215 0.284276 78.2558 -48.6786 27.2978 -44.5028 -0.120258 TIMING: 3467800 CPU: 10834.6, 0.00313522/step Wall: 10834.6, 0.00313522/step, 1.33439 hours remaining, 235.093750 MB of memory in use. ENERGY: 3467800 3994.0721 20588.2106 14425.7964 243.6982 -203287.8020 2646.1239 0.0000 0.0000 52121.3414 -109268.5594 299.5421 -161389.9008 -108899.3444 299.3726 -1.5550 23.9055 763816.7784 19.5130 19.4181 PRESSURE: 3468000 -56.8496 -222.285 330.416 -222.285 192.677 53.6061 330.417 53.6059 5.83456 GPRESSURE: 3468000 18.5703 -116.554 233.53 -267.022 224.456 73.6892 188.264 -49.0638 -22.9626 PRESSAVG: 3468000 -20.1664 -13.5572 54.3724 -13.5572 62.9532 -37.3262 54.3724 -37.3262 -26.1148 GPRESSAVG: 3468000 -19.089 -14.756 53.4891 -11.7972 62.4168 -37.5896 51.4335 -38.415 -26.5154 TIMING: 3468000 CPU: 10835.2, 0.00314287/step Wall: 10835.2, 0.00314287/step, 1.33747 hours remaining, 235.093750 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: 3468000 3965.2490 20381.6523 14500.3885 248.0148 -203206.1796 2696.1929 0.0000 0.0000 52230.8149 -109183.8674 300.1712 -161414.6822 -108806.3410 299.3626 47.2205 73.3545 763285.1582 5.5573 5.6041 PRESSURE: 3468200 -281.692 -201.274 217.789 -201.276 143.881 10.745 217.788 10.7446 -204.999 GPRESSURE: 3468200 -222.471 -198.157 289.432 -199.836 136.974 -14.7828 57.8452 50.154 -169.521 PRESSAVG: 3468200 -77.1455 -23.9236 -3.18473 -23.9236 34.1677 -21.7978 -3.18474 -21.7978 7.04192 GPRESSAVG: 3468200 -77.733 -23.8918 -1.3592 -25.2028 33.5316 -20.2255 -3.15942 -22.3005 7.86091 TIMING: 3468200 CPU: 10835.9, 0.00312523/step Wall: 10835.9, 0.00312523/step, 1.32978 hours remaining, 235.093750 MB of memory in use. ENERGY: 3468200 4086.8342 20343.2482 14451.6815 241.1923 -203025.5151 2614.1467 0.0000 0.0000 52148.5629 -109139.8493 299.6985 -161288.4122 -108781.7128 299.1490 -114.2699 -85.0058 761910.0343 -11.9786 -12.1135 LDB: ============= START OF LOAD BALANCING ============== 10848.3 LDB: ============== END OF LOAD BALANCING =============== 10848.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10848.3 LDB: ============= START OF LOAD BALANCING ============== 10848.7 LDB: Largest compute 7041 load 0.028387 is 14.5% of average load 0.195104 LDB: Average compute 0.004361 is 2.2% of average load 0.195104 LDB: TIME 10848.7 LOAD: AVG 0.195104 MAX 0.216644 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.051 MB LDB: TIME 10848.7 LOAD: AVG 0.195104 MAX 0.216644 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.258 MB LDB: TIME 10848.7 LOAD: AVG 0.195104 MAX 0.216644 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.258 MB LDB: ============== END OF LOAD BALANCING =============== 10848.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10848.7 PRESSURE: 3468400 84.3677 63.154 32.3776 63.1546 -268.817 72.9344 32.378 72.9342 1.76083 GPRESSURE: 3468400 125.882 50.2424 11.1922 28.0448 -249.509 122.085 -8.21058 65.8777 24.2794 PRESSAVG: 3468400 -7.96066 39.6237 24.2615 39.6237 17.0175 5.04444 24.2615 5.0445 4.53075 GPRESSAVG: 3468400 -7.52538 38.9242 22.2036 39.957 16.4007 5.44596 23.9058 4.0767 4.44808 TIMING: 3468400 CPU: 10836.5, 0.00320386/step Wall: 10836.5, 0.00320386/step, 1.36306 hours remaining, 234.050781 MB of memory in use. ENERGY: 3468400 4021.6813 20506.6238 14477.6945 260.0534 -202681.8182 2404.5802 0.0000 0.0000 51934.9293 -109076.2556 298.4708 -161011.1849 -108712.1401 299.8871 -60.8961 -33.1158 762575.3403 4.5292 4.4411 PRESSURE: 3468600 -39.6635 43.8531 -198.826 43.8532 -269.527 -15.6879 -198.826 -15.6882 325.153 GPRESSURE: 3468600 19.4941 148.567 -70.7666 -112.946 -279.169 2.85814 -64.9336 68.0433 358.622 PRESSAVG: 3468600 0.474446 50.4721 47.2859 50.4721 12.0707 24.743 47.2859 24.743 -0.756226 GPRESSAVG: 3468600 -0.00870794 51.572 49.0971 51.2625 13.0924 25.1639 48.6388 25.6642 -1.17804 TIMING: 3468600 CPU: 10837.1, 0.00314289/step Wall: 10837.1, 0.00314289/step, 1.33695 hours remaining, 234.050781 MB of memory in use. ENERGY: 3468600 3968.5172 20496.6759 14420.6282 241.2599 -202878.3855 2650.1996 0.0000 0.0000 52195.4371 -108905.6675 299.9679 -161101.1047 -108545.3981 299.7277 5.3211 32.9823 762812.6373 3.9297 3.9686 PRESSURE: 3468800 -42.4686 -96.0664 -230.158 -96.0662 -192.945 204.512 -230.158 204.512 -182.414 GPRESSURE: 3468800 1.53824 -29.4738 -283.605 -201.98 -137.649 177.51 -164.608 176.89 -192.276 PRESSAVG: 3468800 12.9627 -13.4745 24.9537 -13.4745 0.661119 17.6593 24.9537 17.6594 24.7858 GPRESSAVG: 3468800 13.2972 -16.9002 27.121 -12.3294 0.634138 17.5399 23.53 17.5482 24.665 TIMING: 3468800 CPU: 10837.8, 0.00314472/step Wall: 10837.8, 0.00314472/step, 1.33755 hours remaining, 234.050781 MB of memory in use. ENERGY: 3468800 4023.1962 20712.4635 14443.9085 228.7793 -202920.2226 2685.2521 0.0000 0.0000 51988.1197 -108838.5034 298.7764 -160826.6230 -108486.5515 300.3734 -139.2760 -109.4621 763216.7622 12.8032 12.8654 PRESSURE: 3469000 -188.711 99.0712 241.23 99.0708 -100.803 134.634 241.23 134.634 -165.969 GPRESSURE: 3469000 -215.202 79.6503 281.086 119.338 11.462 55.7045 186.883 50.3146 -169.886 PRESSAVG: 3469000 -59.2073 -57.6191 10.9061 -57.6191 36.459 46.8749 10.9062 46.8749 -13.5656 GPRESSAVG: 3469000 -59.7246 -54.8474 9.38362 -59.5084 35.2256 46.6879 11.0951 45.5376 -12.1681 TIMING: 3469000 CPU: 10838.4, 0.00312422/step Wall: 10838.4, 0.00312422/step, 1.32866 hours remaining, 234.050781 MB of memory in use. ENERGY: 3469000 4054.1575 20765.0052 14476.5298 236.5652 -203095.7854 2765.3177 0.0000 0.0000 52197.6392 -108600.5708 299.9806 -160798.2100 -108234.0063 300.7153 -151.8276 -124.5421 762449.7417 -12.1046 -12.2224 PRESSURE: 3469200 -84.0168 -113.513 99.0159 -113.513 124.257 62.8377 99.0164 62.8373 -269.911 GPRESSURE: 3469200 -8.20507 -119.146 194.767 -10.938 148.57 57.1698 116.946 124.566 -264.531 PRESSAVG: 3469200 -20.6416 -25.4678 23.0091 -25.4678 45.993 -39.8395 23.0092 -39.8395 5.94264 GPRESSAVG: 3469200 -20.1001 -26.5926 22.4622 -25.6026 47.5406 -40.8875 24.1946 -40.3603 3.61789 TIMING: 3469200 CPU: 10839, 0.00314437/step Wall: 10839, 0.00314437/step, 1.33705 hours remaining, 234.050781 MB of memory in use. ENERGY: 3469200 4035.7371 20428.2658 14524.9807 232.2832 -203313.6326 2880.6880 0.0000 0.0000 52362.5016 -108849.1762 300.9280 -161211.6778 -108478.7877 300.6440 -76.5570 -41.3889 762825.4222 10.4314 10.3528 PRESSURE: 3469400 -257.421 267.793 -106.829 267.794 147.76 -206.588 -106.829 -206.59 77.0105 GPRESSURE: 3469400 -152.311 273.844 -42.9917 240.827 149.046 -151.243 -167.862 -222.259 39.1367 PRESSAVG: 3469400 4.59445 -21.0967 77.3841 -21.0966 -2.6741 -42.5809 77.3841 -42.5808 1.26521 GPRESSAVG: 3469400 4.37352 -18.6627 78.2315 -21.2772 -3.47817 -41.0572 75.962 -40.9675 2.48433 TIMING: 3469400 CPU: 10839.6, 0.00315038/step Wall: 10839.6, 0.00315038/step, 1.33944 hours remaining, 234.050781 MB of memory in use. ENERGY: 3469400 4000.6472 20519.6994 14513.8088 256.5690 -203315.5401 2802.5008 0.0000 0.0000 52225.0579 -108997.2571 300.1381 -161222.3149 -108636.3695 300.1434 -10.8835 11.9570 763298.9656 1.0618 1.1266 PRESSURE: 3469600 158.701 -29.2229 20.485 -29.2231 -12.7239 -110.826 20.4846 -110.826 -360.833 GPRESSURE: 3469600 158.527 -5.91971 5.25187 -24.5309 58.1613 -125.085 -32.4781 -59.1038 -354.861 PRESSAVG: 3469600 19.8355 -42.125 39.1248 -42.125 -53.6335 30.1014 39.1247 30.1013 9.63454 GPRESSAVG: 3469600 20.9732 -43.8579 37.6008 -40.5795 -53.7529 27.8679 40.396 31.9067 9.14915 TIMING: 3469600 CPU: 10840.3, 0.00314583/step Wall: 10840.3, 0.00314583/step, 1.33733 hours remaining, 234.050781 MB of memory in use. ENERGY: 3469600 4008.6553 20576.0102 14534.6219 243.9788 -203226.7903 2657.4768 0.0000 0.0000 52076.4703 -109129.5771 299.2842 -161206.0474 -108770.0464 299.7452 -71.6185 -46.0574 762809.6088 -8.0545 -7.8769 PRESSURE: 3469800 252.8 -21.7375 10.5149 -21.737 23.8946 -128.727 10.5152 -128.728 374.157 GPRESSURE: 3469800 227.891 -1.64362 -33.1835 -2.35727 81.4023 -84.1747 -5.05993 -193.836 431.623 PRESSAVG: 3469800 17.9827 -10.4965 47.2172 -10.4966 -9.96704 27.9021 47.2173 27.9022 -23.9942 GPRESSAVG: 3469800 16.0516 -8.2438 48.7666 -10.7201 -9.0295 30.3433 47.3618 23.9163 -23.1344 TIMING: 3469800 CPU: 10840.9, 0.00313215/step Wall: 10840.9, 0.00313215/step, 1.33134 hours remaining, 234.050781 MB of memory in use. ENERGY: 3469800 3961.6304 20454.3247 14491.4354 238.1427 -203244.0130 2916.9734 0.0000 0.0000 52118.1825 -109063.3239 299.5239 -161181.5064 -108699.9943 299.5733 216.9505 246.9722 762631.6668 -5.3262 -5.3708 PRESSURE: 3470000 -99.5874 -2.46678 256.457 -2.46595 -289.828 151.806 256.456 151.806 -322.975 GPRESSURE: 3470000 -69.695 23.9897 223.426 85.8363 -286.418 142.833 233.5 169.099 -271.957 PRESSAVG: 3470000 17.3862 -18.6437 31.2482 -18.6437 50.3107 49.3527 31.2483 49.3526 18.5068 GPRESSAVG: 3470000 18.3679 -20.4203 29.4606 -19.588 50.8328 48.0757 31.1201 51.3967 17.2564 TIMING: 3470000 CPU: 10841.5, 0.00311447/step Wall: 10841.5, 0.00311447/step, 1.32365 hours remaining, 234.050781 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: 3470000 4017.5884 20662.8260 14470.1049 237.0673 -202695.5337 2341.7599 0.0000 0.0000 52080.9708 -108885.2166 299.3101 -160966.1873 -108525.8193 299.8441 -237.4632 -209.3568 761980.6984 28.7345 28.8190 PRESSURE: 3470200 72.6748 12.8614 -35.7657 12.862 -354.718 123.835 -35.7657 123.834 207.636 GPRESSURE: 3470200 140.449 -9.36396 -104.849 86.4836 -281.47 177.479 -37.1985 134.394 159.959 PRESSAVG: 3470200 50.8164 7.22185 26.3698 7.2219 7.84632 -2.08781 26.3698 -2.08784 -16.3673 GPRESSAVG: 3470200 50.3525 6.50466 29.0213 9.41456 8.38906 -0.973415 26.0928 -2.83958 -16.8752 TIMING: 3470200 CPU: 10842.1, 0.00311792/step Wall: 10842.1, 0.00311792/step, 1.32494 hours remaining, 234.050781 MB of memory in use. ENERGY: 3470200 4078.4844 20466.7275 14440.5264 239.2550 -203350.8936 2893.7856 0.0000 0.0000 52257.1599 -108974.9547 300.3226 -161232.1146 -108618.2285 299.9858 -24.8023 6.3125 761450.2444 14.0985 13.9555 PRESSURE: 3470400 -451.285 -116.768 4.44626 -116.767 311.649 79.0071 4.44613 79.0069 22.4358 GPRESSURE: 3470400 -396.756 -169.803 -87.0148 -135.468 372.024 48.502 180.97 -62.6001 0.193865 PRESSAVG: 3470400 -20.6009 12.7526 -16.4868 12.7526 5.29035 5.00087 -16.4868 5.00079 27.5905 GPRESSAVG: 3470400 -19.1418 14.0287 -18.1528 11.989 3.99156 1.99445 -17.1487 7.4034 27.8574 TIMING: 3470400 CPU: 10842.8, 0.00313795/step Wall: 10842.8, 0.00313795/step, 1.33328 hours remaining, 234.050781 MB of memory in use. ENERGY: 3470400 3939.5142 20556.8919 14521.1217 262.7087 -203293.7496 2807.4842 0.0000 0.0000 52240.0958 -108965.9332 300.2245 -161206.0289 -108597.5991 300.0761 -39.0668 -8.1794 762595.2944 4.0933 4.2357 PRESSURE: 3470600 18.4966 -135.599 6.52039 -135.599 -174.331 -47.7466 6.51997 -47.7463 -77.4764 GPRESSURE: 3470600 68.5499 -93.3152 -48.1272 -39.8558 -166.808 -52.3933 0.9654 -59.2608 -55.5584 PRESSAVG: 3470600 39.3415 -29.4552 45.8012 -29.4552 -32.9407 -2.19717 45.8011 -2.19721 -13.9644 GPRESSAVG: 3470600 36.8211 -29.6526 44.9594 -29.781 -30.7124 -1.42202 46.8532 -5.27458 -13.3926 TIMING: 3470600 CPU: 10843.4, 0.00311689/step Wall: 10843.4, 0.00311689/step, 1.32416 hours remaining, 234.050781 MB of memory in use. ENERGY: 3470600 4018.6143 20678.7618 14487.1351 243.8390 -203073.5587 2477.9003 0.0000 0.0000 52159.8886 -109007.4195 299.7636 -161167.3081 -108645.9080 299.9698 -77.7704 -51.2723 762584.1606 -2.5212 -2.4280 PRESSURE: 3470800 -214.041 -49.6136 -77.2306 -49.6137 85.5786 -50.182 -77.2305 -50.1807 316.958 GPRESSURE: 3470800 -157.227 -36.0842 -125.441 -49.2681 77.515 -217.69 17.8692 44.0687 359.13 PRESSAVG: 3470800 -61.4867 11.3844 17.5198 11.3843 41.3213 -8.10957 17.5198 -8.10957 3.78849 GPRESSAVG: 3470800 -58.4147 10.8577 16.5847 10.4863 37.744 -7.85721 19.8343 -5.3266 4.96415 TIMING: 3470800 CPU: 10844, 0.0031282/step Wall: 10844, 0.0031282/step, 1.32879 hours remaining, 234.050781 MB of memory in use. ENERGY: 3470800 4001.5697 20438.8439 14450.1776 262.7659 -203039.5574 2773.9169 0.0000 0.0000 51913.0689 -109199.2144 298.3451 -161112.2833 -108834.2449 299.9526 62.8317 93.1393 763088.8427 -5.4590 -5.2355 PRESSURE: 3471000 -263.3 32.7488 -144.626 32.7497 -85.2703 -8.25489 -144.627 -8.25435 -378.602 GPRESSURE: 3471000 -116.888 -108.219 -101.111 145.826 -94.6302 -4.16475 -113.112 4.10387 -410.835 PRESSAVG: 3471000 64.2285 -16.4568 3.71898 -16.4568 -40.8315 24.354 3.7189 24.3539 18.371 GPRESSAVG: 3471000 63.9705 -18.1503 4.93191 -14.8664 -39.5478 25.1839 2.27423 24.0529 17.7893 TIMING: 3471000 CPU: 10844.6, 0.00311773/step Wall: 10844.6, 0.00311773/step, 1.32417 hours remaining, 234.050781 MB of memory in use. ENERGY: 3471000 3985.3258 20339.9184 14413.3989 237.8037 -203002.6861 2584.3918 0.0000 0.0000 52129.3232 -109312.5243 299.5879 -161441.8475 -108943.8828 299.7560 -242.3906 -207.4509 762639.9418 13.9227 14.0707 PRESSURE: 3471200 51.7165 -161.48 177.902 -161.48 184.017 29.156 177.902 29.1559 229.006 GPRESSURE: 3471200 130.738 32.3701 134.337 -136.015 203.58 65.1691 63.5163 43.8379 227.249 PRESSAVG: 3471200 8.23545 -30.4617 -38.0191 -30.4617 -7.39026 -30.2055 -38.0192 -30.2055 0.339517 GPRESSAVG: 3471200 8.72716 -29.7566 -39.0517 -31.2939 -7.69903 -30.13 -40.0706 -29.6838 0.260184 TIMING: 3471200 CPU: 10845.3, 0.0031137/step Wall: 10845.3, 0.0031137/step, 1.32228 hours remaining, 234.050781 MB of memory in use. ENERGY: 3471200 3993.4642 20504.1430 14495.4851 240.9678 -203429.2238 2838.5049 0.0000 0.0000 52213.9825 -109142.6763 300.0745 -161356.6587 -108777.6923 299.4344 154.9132 187.1889 763032.1817 0.3949 0.4294 PRESSURE: 3471400 -310.324 -75.5074 -32.4783 -75.5073 -256.921 -174.205 -32.4781 -174.204 104.683 GPRESSURE: 3471400 -278.337 -119.986 0.666927 -105.53 -190.045 -238.06 -12.1878 -16.1251 83.2989 PRESSAVG: 3471400 63.5684 -38.926 38.5583 -38.9259 -28.5267 61.7801 38.5583 61.78 -17.2471 GPRESSAVG: 3471400 61.6569 -37.9013 39.3042 -39.488 -27.2709 60.5353 38.0701 60.1605 -16.937 TIMING: 3471400 CPU: 10845.9, 0.00311264/step Wall: 10845.9, 0.00311264/step, 1.32166 hours remaining, 234.050781 MB of memory in use. ENERGY: 3471400 4016.0082 20468.3308 14396.1502 240.9572 -203442.1730 2567.1684 0.0000 0.0000 52448.7192 -109304.8389 301.4235 -161753.5581 -108935.9461 299.6254 -154.1874 -128.3611 761320.1226 5.9315 5.8163 PRESSURE: 3471600 226.098 28.2461 -332.29 28.2466 19.9308 -79.9569 -332.289 -79.9568 25.5205 GPRESSURE: 3471600 188.735 107.965 -317.156 13.3327 110.442 -110.326 -309.03 -135.389 44.3515 PRESSAVG: 3471600 10.619 -8.91225 40.4242 -8.91226 8.00006 15.9492 40.4243 15.9492 2.19428 GPRESSAVG: 3471600 11.2228 -7.77782 41.7519 -9.24298 7.49541 17.1899 41.0531 19.1206 1.89118 TIMING: 3471600 CPU: 10846.5, 0.00313185/step Wall: 10846.5, 0.00313185/step, 1.32965 hours remaining, 234.050781 MB of memory in use. ENERGY: 3471600 3926.6434 20570.5370 14447.7826 252.3304 -203428.6793 2655.5856 0.0000 0.0000 52113.9548 -109461.8455 299.4996 -161575.8003 -109092.5371 299.0613 90.5164 114.5093 761817.7700 6.9378 6.8698 PRESSURE: 3471800 234.113 84.0279 -23.8815 84.0278 -56.3082 207.62 -23.8816 207.62 179.933 GPRESSURE: 3471800 239.566 119.998 -87.6475 102.608 32.9744 174.603 -44.8412 191.418 163.378 PRESSAVG: 3471800 20.5202 26.0251 -27.8014 26.0251 10.562 35.4275 -27.8014 35.4276 3.0483 GPRESSAVG: 3471800 21.4726 24.854 -29.2102 26.8819 9.94001 35.8108 -26.6533 33.6287 3.38979 TIMING: 3471800 CPU: 10847.1, 0.00313362/step Wall: 10847.1, 0.00313362/step, 1.33022 hours remaining, 234.050781 MB of memory in use. ENERGY: 3471800 4034.5264 20577.9019 14409.1195 243.7424 -203728.3013 3082.2339 0.0000 0.0000 52194.3811 -109186.3962 299.9618 -161380.7773 -108822.2983 299.6383 119.2457 145.3060 761805.3364 11.3769 11.6008 PRESSURE: 3472000 -15.7508 9.26123 31.0646 9.26059 -25.9917 95.7398 31.065 95.7396 335.438 GPRESSURE: 3472000 38.6774 118.372 146.107 -77.0111 50.0775 21.0125 145.01 202.593 274.032 PRESSAVG: 3472000 45.9505 39.404 55.5723 39.404 -60.851 53.5779 55.5724 53.5779 13.8918 GPRESSAVG: 3472000 45.8295 39.4478 56.9947 40.1123 -60.0202 53.4025 56.5358 53.5242 12.6665 TIMING: 3472000 CPU: 10847.8, 0.00311934/step Wall: 10847.8, 0.00311934/step, 1.32398 hours remaining, 234.050781 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: 3472000 3953.5461 20479.0351 14527.9160 246.6718 -203520.9354 2912.5867 0.0000 0.0000 52188.4847 -109212.6950 299.9279 -161401.1798 -108849.5989 299.7200 97.8985 120.9290 761741.9618 -0.3362 -0.5081 PRESSURE: 3472200 -407.673 -55.4644 -156.745 -55.4641 -274.885 94.0181 -156.744 94.0177 -522.462 GPRESSURE: 3472200 -433.136 20.8822 -188.422 93.4567 -134.922 101.592 -234.762 270.667 -536.997 PRESSAVG: 3472200 -74.5891 -7.6981 20.2161 -7.69807 37.9744 -12.5559 20.2162 -12.5559 6.89502 GPRESSAVG: 3472200 -74.8932 -7.77349 17.9802 -6.97494 37.9517 -13.0921 18.3628 -13.3589 7.35377 TIMING: 3472200 CPU: 10848.4, 0.00316485/step Wall: 10848.4, 0.00316485/step, 1.34313 hours remaining, 234.050781 MB of memory in use. ENERGY: 3472200 4068.2072 20361.8669 14524.6912 240.7825 -203053.8890 2586.4390 0.0000 0.0000 52411.3366 -108860.5657 301.2087 -161271.9023 -108496.4435 299.9368 -401.6732 -368.3517 763911.8894 -9.9066 -9.8626 LDB: ============= START OF LOAD BALANCING ============== 10860.9 LDB: ============== END OF LOAD BALANCING =============== 10860.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10860.9 LDB: ============= START OF LOAD BALANCING ============== 10861.2 LDB: Largest compute 7037 load 0.029160 is 14.9% of average load 0.195130 LDB: Average compute 0.004376 is 2.2% of average load 0.195130 LDB: TIME 10861.2 LOAD: AVG 0.19513 MAX 0.216407 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.082 MB LDB: TIME 10861.2 LOAD: AVG 0.19513 MAX 0.216407 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.191 MB LDB: TIME 10861.2 LOAD: AVG 0.19513 MAX 0.216407 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.191 MB LDB: ============== END OF LOAD BALANCING =============== 10861.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10861.2 PRESSURE: 3472400 252.097 324.402 119.924 324.401 41.5698 -87.1515 119.924 -87.1514 227.446 GPRESSURE: 3472400 311.816 249.782 50.9399 308.32 34.7856 -85.8838 113.468 -40.8488 246.981 PRESSAVG: 3472400 25.1367 28.8746 22.5384 28.8746 5.11595 12.4038 22.5384 12.4038 23.5999 GPRESSAVG: 3472400 25.6666 28.2439 22.9305 29.189 4.84781 11.4794 23.632 13.3671 23.3002 TIMING: 3472400 CPU: 10849, 0.00322072/step Wall: 10849, 0.00322072/step, 1.36666 hours remaining, 234.511719 MB of memory in use. ENERGY: 3472400 4008.5285 20557.2497 14522.6301 238.5637 -203257.6327 2996.4221 0.0000 0.0000 52160.7650 -108773.4736 299.7686 -160934.2387 -108419.8037 300.2958 173.7041 197.8608 764613.8619 17.9508 17.9382 PRESSURE: 3472600 -356.346 -46.1904 80.0709 -46.1905 -12.7511 129.528 80.0712 129.529 -311.042 GPRESSURE: 3472600 -239.001 -149.484 70.4889 -123.878 -51.9171 104.123 80.5911 211.455 -298.224 PRESSAVG: 3472600 -47.1467 30.8096 -13.6235 30.8096 -11.6714 12.078 -13.6235 12.078 -20.3627 GPRESSAVG: 3472600 -46.8681 29.1646 -13.0551 29.3756 -12.0232 11.3544 -15.2922 12.583 -19.4671 TIMING: 3472600 CPU: 10849.7, 0.0031268/step Wall: 10849.7, 0.0031268/step, 1.32663 hours remaining, 234.511719 MB of memory in use. ENERGY: 3472600 4000.1358 20415.4497 14547.8678 241.7197 -203122.5858 2675.2572 0.0000 0.0000 52512.9107 -108729.2449 301.7924 -161242.1556 -108360.3428 300.1276 -226.7130 -196.3806 764499.1802 -26.3936 -26.1195 PRESSURE: 3472800 -265.22 -119.872 -137.869 -119.873 -307.679 248.592 -137.87 248.592 170.94 GPRESSURE: 3472800 -248.388 28.48 -163.674 -3.20795 -232.147 282.015 -85.6164 197.308 141.589 PRESSAVG: 3472800 -5.95271 2.4678 2.67596 2.46771 11.9062 -33.6845 2.67594 -33.6845 -3.72895 GPRESSAVG: 3472800 -5.60746 5.7261 2.59647 2.59425 10.6917 -31.7618 3.77984 -36.6095 -3.27918 TIMING: 3472800 CPU: 10850.3, 0.00313899/step Wall: 10850.3, 0.00313899/step, 1.33163 hours remaining, 234.804688 MB of memory in use. ENERGY: 3472800 4104.5356 20601.4213 14434.3622 239.6741 -202976.7806 2621.8400 0.0000 0.0000 52183.9664 -108790.9809 299.9020 -160974.9473 -108428.3084 300.0868 -133.9864 -112.9818 765766.8069 0.7415 0.6017 PRESSURE: 3473000 254.785 -62.9752 273.643 -62.9756 -326.135 -175.141 273.642 -175.143 140.934 GPRESSURE: 3473000 173.318 -83.009 280.597 -59.4044 -265.524 -197.797 168.423 -199.701 230.092 PRESSAVG: 3473000 -36.328 -3.59275 11.642 -3.59279 57.6459 -8.9915 11.6421 -8.99148 10.0779 GPRESSAVG: 3473000 -37.7538 -2.69915 11.089 -5.7084 59.5198 -9.74 11.9191 -7.16864 10.4182 TIMING: 3473000 CPU: 10850.9, 0.00310821/step Wall: 10850.9, 0.00310821/step, 1.3184 hours remaining, 234.804688 MB of memory in use. ENERGY: 3473000 3945.6098 20479.9589 14453.6714 233.3707 -203039.0988 2834.3000 0.0000 0.0000 52161.1738 -108931.0143 299.7710 -161092.1881 -108572.7875 300.3131 23.1946 45.9621 764527.0246 10.4653 10.7281 PRESSURE: 3473200 88.9485 60.3344 -106.91 60.3347 72.1214 180.808 -106.91 180.807 -289.121 GPRESSURE: 3473200 201.767 117.828 -162.356 0.0259843 43.3412 253.082 -45.7201 188.131 -288.898 PRESSAVG: 3473200 25.8731 -49.32 20.5102 -49.32 -12.2797 11.7971 20.5102 11.7971 13.1387 GPRESSAVG: 3473200 27.5445 -52.841 21.357 -47.6959 -14.1237 11.9106 20.5503 11.0429 13.2722 TIMING: 3473200 CPU: 10851.5, 0.00312797/step Wall: 10851.5, 0.00312797/step, 1.32661 hours remaining, 234.804688 MB of memory in use. ENERGY: 3473200 3960.1251 20515.1299 14497.9921 228.5763 -203570.7216 3177.7588 0.0000 0.0000 52121.3623 -109069.7771 299.5422 -161191.1395 -108721.1070 299.2275 -42.6838 -14.5966 765623.9118 8.9107 8.8977 PRESSURE: 3473400 -71.9236 124.096 -154.22 124.096 -110.532 -240.078 -154.221 -240.078 151.123 GPRESSURE: 3473400 -17.7328 150.757 -167.774 198.783 -78.4018 -260.793 -131.907 -411.007 152.156 PRESSAVG: 3473400 -46.011 -5.64072 16.1303 -5.64074 -0.403866 -35.0575 16.1302 -35.0574 -2.95611 GPRESSAVG: 3473400 -46.4567 -4.2225 17.7597 -4.34806 0.105053 -35.4536 14.2103 -33.7653 -2.47447 TIMING: 3473400 CPU: 10852.2, 0.00313069/step Wall: 10852.2, 0.00313069/step, 1.32759 hours remaining, 234.804688 MB of memory in use. ENERGY: 3473400 3938.6558 20350.8416 14535.3461 252.7673 -202785.5211 2498.9199 0.0000 0.0000 52108.7950 -109100.1953 299.4700 -161208.9903 -108727.6272 299.0418 -10.4443 18.6738 765506.2923 -16.4570 -16.2754 PRESSURE: 3473600 167.709 -86.2865 -289.109 -86.2862 175.349 -39.9861 -289.108 -39.9861 -243.28 GPRESSURE: 3473600 253.293 -121.115 -193.396 -13.3747 189.372 -35.9645 -198.857 -16.312 -271.897 PRESSAVG: 3473600 14.1431 -2.00459 40.288 -2.00461 -18.3556 -21.2756 40.2879 -21.2755 2.8884 GPRESSAVG: 3473600 13.5153 -2.32649 38.2405 -3.98936 -17.6767 -22.7456 43.114 -19.9953 2.21233 TIMING: 3473600 CPU: 10852.8, 0.00312463/step Wall: 10852.8, 0.00312463/step, 1.32484 hours remaining, 234.804688 MB of memory in use. ENERGY: 3473600 4082.4814 20369.6488 14443.0659 248.7914 -203467.2931 3223.8083 0.0000 0.0000 51986.3598 -109113.1376 298.7663 -161099.4973 -108746.0601 299.2592 33.2593 56.9226 762916.6938 -0.4413 -0.6497 PRESSURE: 3473800 -187.659 -97.2432 43.6451 -97.2442 -226.055 -21.4103 43.6443 -21.4106 -201.166 GPRESSURE: 3473800 -152.424 -144.112 -27.1294 -51.8814 -147.798 -60.5949 -143.126 -38.4259 -227.302 PRESSAVG: 3473800 -13.8815 -36.9932 28.2628 -36.9932 9.42318 24.3426 28.2628 24.3426 -11.705 GPRESSAVG: 3473800 -13.6167 -38.3097 30.1558 -34.4277 10.0566 26.9006 25.5681 21.5488 -12.4736 TIMING: 3473800 CPU: 10853.4, 0.00313148/step Wall: 10853.4, 0.00313148/step, 1.32758 hours remaining, 234.804688 MB of memory in use. ENERGY: 3473800 4050.3174 20507.9040 14442.4956 248.3777 -203008.6790 2577.5668 0.0000 0.0000 52085.0348 -109096.9825 299.3334 -161182.0174 -108728.7216 299.1058 -204.9600 -175.8414 764975.9491 -5.3878 -5.3446 PRESSURE: 3474000 140.812 -133.819 -65.3446 -133.819 145.264 323.731 -65.3446 323.729 443.388 GPRESSURE: 3474000 170.797 -122.936 -100.787 -113.028 220.508 286.984 -136.599 233.806 419.565 PRESSAVG: 3474000 35.6982 -14.0133 -41.5616 -14.0133 -11.6601 -25.9058 -41.5616 -25.9058 24.3387 GPRESSAVG: 3474000 34.4128 -10.1162 -43.5621 -17.7317 -11.2772 -27.8451 -41.0441 -26.1833 24.8251 TIMING: 3474000 CPU: 10854.1, 0.00312883/step Wall: 10854.1, 0.00312883/step, 1.32628 hours remaining, 234.804688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3474000 3900.4988 20388.0261 14482.3095 253.9530 -203535.8939 3062.2283 0.0000 0.0000 52401.6152 -109047.2630 301.1528 -161448.8783 -108674.7216 299.8013 243.1550 270.2898 763262.2111 16.1256 15.9869 PRESSURE: 3474200 -387.109 -57.5199 141.73 -57.5203 379.094 -62.1029 141.729 -62.1022 -67.7625 GPRESSURE: 3474200 -253.323 -90.7642 207.861 17.7462 269.162 -38.9572 126.635 160.387 -9.08544 PRESSAVG: 3474200 -13.0845 -1.87659 -11.6984 -1.87655 -16.9287 1.0769 -11.6985 1.07697 -13.2364 GPRESSAVG: 3474200 -12.6586 -6.37729 -11.4805 1.74758 -19.2455 1.37984 -10.1713 3.68343 -11.921 TIMING: 3474200 CPU: 10854.7, 0.0031221/step Wall: 10854.7, 0.0031221/step, 1.32325 hours remaining, 234.804688 MB of memory in use. ENERGY: 3474200 4025.8796 20684.1850 14518.0295 240.4002 -203576.2020 3216.9467 0.0000 0.0000 51836.1690 -109054.5920 297.9032 -160890.7610 -108690.0527 299.8735 -25.2591 2.2512 764003.7257 -14.4165 -14.6084 PRESSURE: 3474400 38.4631 -32.9746 72.2907 -32.9749 -202.075 49.0929 72.2921 49.0934 216.123 GPRESSURE: 3474400 110.938 -57.7181 43.4514 -0.462395 -110.77 20.9717 -151.933 41.7914 170.143 PRESSAVG: 3474400 -15.2747 81.9761 -29.6826 81.9761 47.0783 9.6831 -29.6825 9.68307 14.0513 GPRESSAVG: 3474400 -15.5556 83.446 -29.996 81.9476 48.5698 8.41765 -30.9972 9.639 13.026 TIMING: 3474400 CPU: 10855.3, 0.00313077/step Wall: 10855.3, 0.00313077/step, 1.32675 hours remaining, 234.804688 MB of memory in use. ENERGY: 3474400 4019.8152 20495.1893 14435.8867 265.3372 -203598.8899 3047.9620 0.0000 0.0000 52425.7117 -108908.9878 301.2913 -161334.6995 -108540.5479 299.9210 17.5036 56.7703 763068.2457 15.2850 15.3467 PRESSURE: 3474600 13.7575 -45.8363 86.6278 -45.837 227.014 45.9756 86.6275 45.9752 305.083 GPRESSURE: 3474600 128.808 -149.776 17.4287 28.6088 208.775 19.6293 -41.7562 3.73747 291.335 PRESSAVG: 3474600 -20.625 -1.59501 -8.14785 -1.59496 14.3283 9.76349 -8.14786 9.76341 -0.654326 GPRESSAVG: 3474600 -20.9494 -2.64106 -8.34722 -2.94933 15.3774 12.0974 -7.23406 7.96706 -1.28143 TIMING: 3474600 CPU: 10855.9, 0.0031246/step Wall: 10855.9, 0.0031246/step, 1.32396 hours remaining, 234.804688 MB of memory in use. ENERGY: 3474600 3965.7270 20571.8787 14487.4990 243.4014 -203323.5153 2855.5435 0.0000 0.0000 52326.7380 -108872.7277 300.7225 -161199.4657 -108507.1238 300.5167 181.9518 209.6392 763361.2017 -2.3170 -2.2845 PRESSURE: 3474800 245.748 -32.6947 18.9115 -32.6947 18.1867 46.3201 18.9118 46.32 -223.938 GPRESSURE: 3474800 191.994 57.1495 110.861 -112.067 114.359 106.43 -92.7274 51.9925 -197.535 PRESSAVG: 3474800 -0.862269 -26.0283 18.8409 -26.0283 20.4823 7.13021 18.8408 7.13022 1.17897 GPRESSAVG: 3474800 -1.04807 -24.1511 20.4133 -27.4878 19.6635 5.35814 19.0886 9.09595 2.26721 TIMING: 3474800 CPU: 10856.6, 0.00311793/step Wall: 10856.6, 0.00311793/step, 1.32096 hours remaining, 234.804688 MB of memory in use. ENERGY: 3474800 3981.3107 20577.2684 14436.4730 261.5506 -203177.7246 2772.2706 0.0000 0.0000 52227.4125 -108921.4389 300.1517 -161148.8513 -108559.9596 300.2586 13.3322 36.2726 761509.4814 6.9330 6.9609 PRESSURE: 3475000 -384.431 -81.1381 -212.427 -81.1386 -118.081 -42.7225 -212.426 -42.7224 -259.001 GPRESSURE: 3475000 -327.672 -66.4421 -185.98 -142.851 -87.7552 11.5191 -161.298 -101.595 -248.73 PRESSAVG: 3475000 48.2774 -24.7859 -0.614053 -24.7859 22.8173 4.04446 -0.614064 4.04447 15.8851 GPRESSAVG: 3475000 48.7319 -25.8475 -0.0730022 -23.1297 23.4425 3.29141 0.959654 4.24316 14.8407 TIMING: 3475000 CPU: 10857.2, 0.0031272/step Wall: 10857.2, 0.0031272/step, 1.32472 hours remaining, 234.804688 MB of memory in use. ENERGY: 3475000 4075.7878 20419.0844 14428.3231 235.8738 -202699.7239 2553.3051 0.0000 0.0000 52155.9834 -108831.3663 299.7412 -160987.3497 -108464.9969 300.0982 -253.8379 -221.3859 763878.1781 28.9932 29.0050 PRESSURE: 3475200 -68.5418 350.547 132.596 350.547 -305.759 45.672 132.595 45.6734 -53.718 GPRESSURE: 3475200 6.17839 318.83 93.8842 317.866 -269.597 136.626 -8.97963 -124.407 -73.9445 PRESSAVG: 3475200 21.339 40.1996 -1.76711 40.1996 3.80101 1.98856 -1.76714 1.98856 -39.2153 GPRESSAVG: 3475200 21.4741 39.7193 -3.36042 38.8629 4.05075 3.65708 -1.96537 1.63076 -39.3879 TIMING: 3475200 CPU: 10857.8, 0.00311489/step Wall: 10857.8, 0.00311489/step, 1.31933 hours remaining, 234.804688 MB of memory in use. ENERGY: 3475200 3972.9255 20754.6646 14417.9188 245.9276 -203046.5232 2516.7658 0.0000 0.0000 52241.8521 -108896.4689 300.2346 -161138.3209 -108537.1458 300.1676 -142.6731 -112.4544 763421.5405 -4.6918 -4.6210 PRESSURE: 3475400 -93.5013 -138.719 -147.459 -138.719 127.09 128.661 -147.46 128.662 169.027 GPRESSURE: 3475400 -49.812 -80.7632 -130.713 -127.316 54.4137 122.761 -27.2122 214.623 278.722 PRESSAVG: 3475400 -13.9748 25.5829 -1.0962 25.5829 43.9676 16.1133 -1.09623 16.1133 1.82672 GPRESSAVG: 3475400 -13.2291 27.1549 -2.49362 27.7551 43.7357 15.502 0.243968 15.4942 1.83934 TIMING: 3475400 CPU: 10858.4, 0.00311672/step Wall: 10858.4, 0.00311672/step, 1.31993 hours remaining, 234.804688 MB of memory in use. ENERGY: 3475400 3988.8196 20637.4076 14473.3459 222.3680 -203258.2708 2842.5327 0.0000 0.0000 52078.5354 -109015.2614 299.2961 -161093.7968 -108646.2114 300.3744 67.5387 94.4414 762964.1747 10.6065 10.7820 PRESSURE: 3475600 -182.693 133.247 -32.5791 133.247 112.675 -159.923 -32.579 -159.924 252.967 GPRESSURE: 3475600 -153.113 137.116 14.057 163.489 207.229 -81.018 21.214 -149.102 230.691 PRESSAVG: 3475600 -12.7096 1.53074 0.177968 1.53075 11.2576 32.2453 0.178046 32.2453 16.4705 GPRESSAVG: 3475600 -13.6337 1.17377 2.08492 1.215 12.1728 32.9957 -1.3533 31.2323 16.0676 TIMING: 3475600 CPU: 10859, 0.00311239/step Wall: 10859, 0.00311239/step, 1.31792 hours remaining, 234.804688 MB of memory in use. ENERGY: 3475600 3991.3958 20369.4487 14431.8245 244.6651 -203242.2470 2776.7292 0.0000 0.0000 52291.5411 -109136.6427 300.5202 -161428.1838 -108778.1232 299.6038 60.9832 94.9358 764394.7487 5.0062 4.8689 PRESSURE: 3475800 -43.8843 314.738 -61.759 314.738 115.173 98.254 -61.7596 98.2546 -419.162 GPRESSURE: 3475800 -25.6198 228.333 -95.9097 289.385 58.6313 76.0351 -45.4019 53.8054 -294.399 PRESSAVG: 3475800 -61.6018 59.4879 -7.78748 59.4879 54.7154 31.937 -7.78747 31.937 -15.9166 GPRESSAVG: 3475800 -60.7063 59.0135 -7.97463 60.0158 53.2487 32.0965 -6.43353 30.6931 -15.3642 TIMING: 3475800 CPU: 10859.7, 0.00314781/step Wall: 10859.7, 0.00314781/step, 1.33275 hours remaining, 234.804688 MB of memory in use. ENERGY: 3475800 3984.8121 20552.1682 14384.3857 245.8207 -203219.8535 2967.9291 0.0000 0.0000 51808.7937 -109275.9440 297.7458 -161084.7377 -108903.6757 299.3173 -115.9576 -87.1291 763729.8805 -7.6010 -7.6073 PRESSURE: 3476000 -128.057 -157.763 -6.3766 -157.763 -460.996 39.2693 -6.37698 39.2695 291.934 GPRESSURE: 3476000 -152.182 -196.874 -41.6708 -57.2317 -285.11 47.2224 -32.8745 -11.2694 238.261 PRESSAVG: 3476000 -43.5622 33.3208 33.9622 33.3208 12.1397 -19.5048 33.9622 -19.5049 7.14457 GPRESSAVG: 3476000 -45.5139 32.2627 34.519 32.1253 14.2453 -19.4256 31.6072 -18.5847 7.03626 TIMING: 3476000 CPU: 10860.3, 0.00312375/step Wall: 10860.3, 0.00312375/step, 1.32239 hours remaining, 234.804688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3476000 3958.0565 20507.4200 14413.4733 260.6711 -203130.5988 2747.2164 0.0000 0.0000 52001.1073 -109242.6542 298.8511 -161243.7615 -108876.2829 298.9947 -99.0395 -66.3440 764827.4233 -8.0926 -8.0775 PRESSURE: 3476200 -473.492 38.9611 -34.1384 38.9606 -250.153 24.1407 -34.1378 24.1398 7.72022 GPRESSURE: 3476200 -355.618 14.9851 -90.4621 37.0697 -301.25 -43.2111 37.573 43.4128 30.6558 PRESSAVG: 3476200 10.2001 -54.7187 52.0535 -54.7187 -33.0697 64.9495 52.0535 64.9497 16.4835 GPRESSAVG: 3476200 11.7013 -55.933 53.1695 -55.536 -33.5272 64.7323 53.1105 65.0811 15.5265 TIMING: 3476200 CPU: 10860.9, 0.00313684/step Wall: 10860.9, 0.00313684/step, 1.32775 hours remaining, 234.804688 MB of memory in use. ENERGY: 3476200 4051.0010 20494.5713 14461.6997 241.3300 -203142.8410 2726.0881 0.0000 0.0000 52014.0861 -109154.0647 298.9257 -161168.1509 -108782.5625 298.8812 -238.6417 -208.7375 764221.1565 -2.1287 -2.0998 LDB: ============= START OF LOAD BALANCING ============== 10873.4 LDB: ============== END OF LOAD BALANCING =============== 10873.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10873.4 LDB: ============= START OF LOAD BALANCING ============== 10873.7 LDB: Largest compute 7070 load 0.029976 is 15.4% of average load 0.195086 LDB: Average compute 0.004394 is 2.3% of average load 0.195086 LDB: TIME 10873.7 LOAD: AVG 0.195086 MAX 0.215283 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.73 MB LDB: TIME 10873.7 LOAD: AVG 0.195086 MAX 0.215283 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.73 MB LDB: TIME 10873.7 LOAD: AVG 0.195086 MAX 0.215283 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.73 MB LDB: ============== END OF LOAD BALANCING =============== 10873.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10873.7 PRESSURE: 3476400 32.1796 -117.98 -4.73209 -117.98 327.44 -146.566 -4.73187 -146.567 184.162 GPRESSURE: 3476400 35.5678 -126.071 -20.8928 44.7305 248.382 -109.498 -126.281 -172.435 349.608 PRESSAVG: 3476400 -57.0913 -34.6394 21.7019 -34.6394 78.6506 -6.20678 21.702 -6.20682 31.8915 GPRESSAVG: 3476400 -57.4378 -32.7562 19.3134 -33.2724 76.7282 -6.61027 21.6543 -5.23253 34.129 TIMING: 3476400 CPU: 10861.6, 0.00318988/step Wall: 10861.6, 0.00318988/step, 1.35003 hours remaining, 234.511719 MB of memory in use. ENERGY: 3476400 3995.6293 20453.8969 14494.8777 255.5530 -202950.1479 2668.9519 0.0000 0.0000 52159.9916 -108921.2474 299.7642 -161081.2390 -108545.6233 299.2356 181.2603 211.1858 763264.7134 17.8169 17.8065 PRESSURE: 3476600 -197.706 -123.499 3.44341 -123.499 -404.386 -63.6094 3.44324 -63.6103 -284.78 GPRESSURE: 3476600 -172.607 -155.216 20.4421 -98.6187 -360.768 -106.805 -59.209 0.950999 -259.996 PRESSAVG: 3476600 20.8721 -3.92522 63.9088 -3.9252 -24.7072 -64.662 63.9089 -64.6621 3.52125 GPRESSAVG: 3476600 20.9034 -4.88064 66.8321 -4.34477 -23.1132 -65.1765 61.7134 -64.1332 1.19106 TIMING: 3476600 CPU: 10862.2, 0.00310624/step Wall: 10862.2, 0.00310624/step, 1.31446 hours remaining, 234.511719 MB of memory in use. ENERGY: 3476600 4022.0849 20682.5841 14455.1748 239.3393 -202749.0505 2348.1160 0.0000 0.0000 52012.9225 -108988.8289 298.9190 -161001.7514 -108639.3253 299.9324 -295.6239 -264.4571 762953.0533 -0.1046 -0.3396 PRESSURE: 3476800 267.963 -4.55165 -29.7791 -4.55145 -298.683 20.5671 -29.7788 20.5663 -156.564 GPRESSURE: 3476800 342.482 2.40298 -68.1086 -44.8669 -233.097 33.9395 11.8301 72.3262 -193.64 PRESSAVG: 3476800 -4.14719 -39.6066 78.7793 -39.6066 8.47549 -20.2316 78.7792 -20.2316 -4.00756 GPRESSAVG: 3476800 -3.95037 -37.5499 78.9585 -40.8093 7.62914 -19.5125 81.5537 -21.7592 -3.09463 TIMING: 3476800 CPU: 10862.8, 0.00310901/step Wall: 10862.8, 0.00310901/step, 1.31546 hours remaining, 234.511719 MB of memory in use. ENERGY: 3476800 4015.1259 20704.6480 14473.1260 263.2145 -203218.6133 2597.4866 0.0000 0.0000 52155.9803 -109009.0319 299.7411 -161165.0122 -108636.3852 298.9582 -62.4282 -28.0851 762941.8241 0.1069 0.1947 PRESSURE: 3477000 62.6017 -154.689 47.4235 -154.689 36.0493 123.09 47.424 123.091 -309.718 GPRESSURE: 3477000 66.6078 -130.311 133.413 -178.61 119.508 87.3012 55.4642 80.8135 -315.704 PRESSAVG: 3477000 -16.426 -80.8627 49.1574 -80.8628 56.3755 -8.94364 49.1574 -8.94357 -6.55287 GPRESSAVG: 3477000 -16.3497 -80.9476 48.0801 -80.8972 56.4625 -9.40119 49.339 -7.76037 -6.35921 TIMING: 3477000 CPU: 10863.4, 0.00311687/step Wall: 10863.4, 0.00311687/step, 1.31861 hours remaining, 234.511719 MB of memory in use. ENERGY: 3477000 3984.6325 20720.4425 14481.1203 258.1399 -202951.4093 2531.1646 0.0000 0.0000 51997.2736 -108978.6358 298.8290 -160975.9095 -108621.2239 299.6511 -70.3557 -43.1958 762221.1062 11.1322 11.2512 PRESSURE: 3477200 139.338 90.5394 196.149 90.5402 -262.523 -260.788 196.149 -260.789 189.805 GPRESSURE: 3477200 119.723 98.8327 188.861 -15.626 -203.124 -147.16 234.679 -212.407 235.864 PRESSAVG: 3477200 6.89642 -0.47887 35.5592 -0.478863 34.3239 -10.0095 35.5593 -10.0096 17.4481 GPRESSAVG: 3477200 6.65924 -0.570336 36.2711 -1.74807 33.7301 -10.9374 35.0833 -11.2552 17.9557 TIMING: 3477200 CPU: 10864.1, 0.00309763/step Wall: 10864.1, 0.00309763/step, 1.3103 hours remaining, 234.511719 MB of memory in use. ENERGY: 3477200 3967.4887 20560.6835 14477.2809 247.6416 -203188.6097 2670.6226 0.0000 0.0000 51935.2916 -109329.6009 298.4728 -161264.8925 -108963.9489 299.1355 22.2065 50.8209 762058.9694 19.5561 19.4484 PRESSURE: 3477400 -89.5022 -141.858 106.012 -141.858 -57.2431 -117.229 106.012 -117.228 125.237 GPRESSURE: 3477400 -45.8324 -174.202 166.48 -101.506 -65.0906 -106.914 -31.6349 -28.5811 160.518 PRESSAVG: 3477400 -35.4512 -89.42 28.6752 -89.4201 6.2003 12.7599 28.6751 12.7599 -15.8653 GPRESSAVG: 3477400 -35.4248 -89.3896 29.8318 -89.807 7.30378 12.9202 27.2666 12.4189 -16.7355 TIMING: 3477400 CPU: 10864.7, 0.00311018/step Wall: 10864.7, 0.00311018/step, 1.31543 hours remaining, 234.511719 MB of memory in use. ENERGY: 3477400 3990.3522 20643.8304 14525.5049 250.2241 -203317.6274 2884.0848 0.0000 0.0000 51719.1223 -109304.5087 297.2305 -161023.6310 -108944.2081 298.9223 -7.1693 16.5315 762239.7311 -15.0387 -14.9522 PRESSURE: 3477600 132.075 176.694 59.4486 176.693 -131.845 64.5184 59.4477 64.5191 -0.639595 GPRESSURE: 3477600 82.0962 44.7043 37.5972 181.52 -104.497 15.6326 150.961 15.8208 78.7976 PRESSAVG: 3477600 -0.19926 13.4021 20.984 13.4021 12.3008 -6.73059 20.984 -6.73063 2.93387 GPRESSAVG: 3477600 -0.169135 10.0115 19.4596 16.3791 11.537 -4.93954 21.9272 -5.94734 4.30966 TIMING: 3477600 CPU: 10865.3, 0.00310329/step Wall: 10865.3, 0.00310328/step, 1.31234 hours remaining, 234.511719 MB of memory in use. ENERGY: 3477600 3943.3513 20534.2621 14445.6917 253.0873 -202974.1319 2543.1025 0.0000 0.0000 51836.0632 -109418.5738 297.9026 -161254.6370 -109059.9692 298.6147 -0.1367 18.7989 762485.8607 5.0118 5.2258 PRESSURE: 3477800 -185.927 -131.051 -48.4163 -131.051 -30.5244 128.204 -48.417 128.205 -26.0925 GPRESSURE: 3477800 -62.903 -65.4594 -99.1513 -79.6961 3.26468 52.9293 -152.973 18.8831 -116.333 PRESSAVG: 3477800 -66.6622 -22.776 19.893 -22.776 13.5205 6.31407 19.893 6.31411 -17.477 GPRESSAVG: 3477800 -65.6639 -18.2047 19.5109 -23.4228 13.4579 3.94188 20.3656 5.87486 -18.8059 TIMING: 3477800 CPU: 10865.9, 0.00309461/step Wall: 10865.9, 0.00309461/step, 1.3085 hours remaining, 234.511719 MB of memory in use. ENERGY: 3477800 3956.8559 20543.8700 14425.8346 252.6457 -203131.0233 2595.4401 0.0000 0.0000 51940.1072 -109416.2697 298.5005 -161356.3770 -109051.3949 298.6118 -80.8479 -58.6573 763090.8881 -23.5396 -23.6707 PRESSURE: 3478000 -236.12 -39.9979 135.398 -39.9991 -86.1732 106.385 135.398 106.383 -219.677 GPRESSURE: 3478000 -211.957 -131.26 184.947 5.14812 -32.7945 140.285 86.329 210.419 -197.847 PRESSAVG: 3478000 -62.3806 34.0093 21.4446 34.0092 108.719 -57.6363 21.4447 -57.6363 -7.92008 GPRESSAVG: 3478000 -63.4805 31.2668 22.153 33.101 109.278 -56.7825 20.2854 -57.3314 -7.2415 TIMING: 3478000 CPU: 10866.5, 0.00309846/step Wall: 10866.5, 0.00309846/step, 1.30996 hours remaining, 234.511719 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: 3478000 3972.1339 20533.5165 14463.8811 244.2261 -203557.9981 2885.3448 0.0000 0.0000 52084.4460 -109374.4497 299.3300 -161458.8957 -109005.4565 298.9065 -180.6567 -147.5328 761860.4619 12.8061 12.8521 PRESSURE: 3478200 -2.19675 -191.919 -203.814 -191.919 -52.7519 140.356 -203.814 140.356 135.085 GPRESSURE: 3478200 82.7886 -89.4891 -169.049 -163.383 7.14248 71.8272 -147.441 269.395 69.627 PRESSAVG: 3478200 -39.5472 -81.4755 31.181 -81.4755 -0.939333 29.8016 31.181 29.8017 20.6497 GPRESSAVG: 3478200 -39.1415 -82.7031 30.8645 -78.64 -0.90668 29.5022 29.2577 30.3479 19.8659 TIMING: 3478200 CPU: 10867.2, 0.00309516/step Wall: 10867.2, 0.00309516/step, 1.30839 hours remaining, 234.511719 MB of memory in use. ENERGY: 3478200 3983.7465 20351.8063 14389.2272 244.7621 -203356.1559 2910.7272 0.0000 0.0000 52531.5484 -108944.3382 301.8995 -161475.8866 -108570.8740 299.5142 26.7122 53.1860 764143.4510 -6.6123 -6.7274 PRESSURE: 3478400 -158.893 -143.12 -38.5897 -143.12 -72.7881 -129.469 -38.59 -129.47 144.589 GPRESSURE: 3478400 -146.511 -50.3978 55.7573 -170.728 22.4582 -121.121 -114.709 -82.6809 117.14 PRESSAVG: 3478400 -10.7981 -6.90265 14.6053 -6.90264 0.311492 2.53195 14.6053 2.53198 14.8659 GPRESSAVG: 3478400 -11.3639 -4.91385 14.5113 -7.93009 0.53296 3.43848 16.249 1.46897 14.5357 TIMING: 3478400 CPU: 10867.8, 0.00312166/step Wall: 10867.8, 0.00312166/step, 1.31942 hours remaining, 234.511719 MB of memory in use. ENERGY: 3478400 3829.2948 20511.2854 14441.3611 240.2559 -202884.5125 2704.2354 0.0000 0.0000 51980.6007 -109177.4792 298.7332 -161158.0799 -108806.6271 299.2403 -29.0307 -2.3041 763746.4063 1.4598 1.2349 PRESSURE: 3478600 -302.988 228.763 -45.9494 228.764 334.96 -24.3229 -45.949 -24.3236 22.3164 GPRESSURE: 3478600 -254.456 218.304 -3.35234 234.693 322.279 42.2965 -60.893 -56.7768 63.858 PRESSAVG: 3478600 -37.8741 -9.66178 -43.7103 -9.66176 33.0835 -15.8072 -43.7103 -15.8072 14.9324 GPRESSAVG: 3478600 -37.1289 -9.60194 -43.3321 -12.3244 31.2695 -16.8973 -44.9421 -17.912 16.3889 TIMING: 3478600 CPU: 10868.4, 0.00312843/step Wall: 10868.4, 0.00312843/step, 1.32211 hours remaining, 234.511719 MB of memory in use. ENERGY: 3478600 3964.2791 20484.2836 14407.2841 236.5456 -203178.4454 2732.2911 0.0000 0.0000 52098.8284 -109254.9334 299.4127 -161353.7619 -108887.9021 298.7678 18.0959 43.8936 763623.6289 3.3806 3.5098 PRESSURE: 3478800 -147.923 -64.0957 -98.305 -64.0963 -200.886 2.59287 -98.3058 2.5935 138.638 GPRESSURE: 3478800 -181.884 12.6384 -133.33 -25.051 -54.295 -114.728 -155.182 31.7976 118.112 PRESSAVG: 3478800 -13.8522 27.7737 -76.008 27.7737 44.6576 -7.81319 -76.0079 -7.81315 2.19191 GPRESSAVG: 3478800 -14.1054 28.7573 -75.2227 28.7317 45.0711 -6.75402 -76.6438 -5.92985 1.59331 TIMING: 3478800 CPU: 10869, 0.00311285/step Wall: 10869, 0.00311285/step, 1.31535 hours remaining, 234.511719 MB of memory in use. ENERGY: 3478800 4000.9738 20533.5154 14404.4217 250.5334 -202882.3415 2525.2233 0.0000 0.0000 51750.5463 -109417.1276 297.4111 -161167.6739 -109061.7798 298.6530 -70.0570 -39.3556 763082.0522 10.9991 10.8530 PRESSURE: 3479000 79.9034 55.652 36.1829 55.6523 465.975 -58.1773 36.1827 -58.1777 -93.1496 GPRESSURE: 3479000 187.565 18.0538 151.155 35.3977 488.296 -64.4664 -21.1654 -12.7768 -142.755 PRESSAVG: 3479000 -31.9937 -12.0968 -50.5374 -12.0968 45.4798 -53.7538 -50.5375 -53.7538 -2.12548 GPRESSAVG: 3479000 -31.6751 -13.5038 -51.106 -11.9615 46.5648 -56.444 -50.8095 -51.6684 -3.22162 TIMING: 3479000 CPU: 10869.6, 0.00311421/step Wall: 10869.6, 0.00311421/step, 1.31575 hours remaining, 234.511719 MB of memory in use. ENERGY: 3479000 3908.1304 20568.4729 14452.6027 216.5851 -203084.1893 2586.0041 0.0000 0.0000 51947.2348 -109405.1592 298.5415 -161352.3940 -109035.9836 298.6617 150.9095 177.7023 761652.9446 3.7869 3.8893 PRESSURE: 3479200 150.736 82.7687 -83.4998 82.7688 83.2723 -84.4754 -83.5005 -84.4749 -0.871096 GPRESSURE: 3479200 119.848 29.4705 -49.4461 116.676 131.258 -34.9398 -45.5813 -19.9525 55.4008 PRESSAVG: 3479200 -16.4216 -23.9105 -24.3438 -23.9105 41.9559 -53.8965 -24.3438 -53.8964 0.3383 GPRESSAVG: 3479200 -15.5799 -25.1757 -24.8679 -24.7636 41.8244 -52.3903 -24.2769 -54.5222 -0.0491009 TIMING: 3479200 CPU: 10870.3, 0.00309312/step Wall: 10870.3, 0.00309312/step, 1.30667 hours remaining, 234.511719 MB of memory in use. ENERGY: 3479200 3878.2000 20464.0264 14410.9207 246.0082 -203535.7720 2727.3847 0.0000 0.0000 52354.3594 -109454.8727 300.8812 -161809.2320 -109095.1001 298.0664 77.7125 102.1689 762251.6019 8.6242 8.7318 PRESSURE: 3479400 -54.9477 -147.062 -126.006 -147.062 -75.2941 169.86 -126.005 169.859 43.6213 GPRESSURE: 3479400 100.751 -23.7049 -113.352 -68.6502 -96.8965 41.2319 -51.7148 157.312 -11.3453 PRESSAVG: 3479400 -62.4516 -1.2555 -6.97864 -1.25549 15.9121 -28.5991 -6.97865 -28.5992 12.1871 GPRESSAVG: 3479400 -63.192 0.873023 -7.12954 1.35134 15.977 -29.451 -4.97016 -27.8551 12.3818 TIMING: 3479400 CPU: 10870.9, 0.0031292/step Wall: 10870.9, 0.0031292/step, 1.32174 hours remaining, 234.511719 MB of memory in use. ENERGY: 3479400 4015.0248 20569.4190 14375.8478 227.2785 -202977.3731 2476.9349 0.0000 0.0000 52212.4681 -109100.4000 300.0658 -161312.8681 -108742.6738 299.2937 -28.8735 -2.4970 762449.1456 -11.4508 -11.6110 PRESSURE: 3479600 -164.02 28.3807 33.4796 28.3808 -207.455 68.0818 33.4805 68.0817 -317.104 GPRESSURE: 3479600 -122.273 -59.8738 -87.8405 71.0119 -174.508 -28.1899 44.5864 -80.0688 -314.77 PRESSAVG: 3479600 -40.4886 5.71818 9.43335 5.71815 69.4421 -15.2323 9.4334 -15.2324 -8.64262 GPRESSAVG: 3479600 -41.4792 5.28198 8.67534 4.61696 69.7111 -13.7948 7.91506 -17.094 -7.866 TIMING: 3479600 CPU: 10871.5, 0.00311098/step Wall: 10871.5, 0.00311098/step, 1.31387 hours remaining, 234.511719 MB of memory in use. ENERGY: 3479600 3984.6543 20492.1345 14460.0669 244.8094 -203334.7112 2715.8078 0.0000 0.0000 52262.3591 -109174.8792 300.3525 -161437.2384 -108805.0204 299.9488 -229.5264 -203.8502 762123.0461 6.7703 6.7887 PRESSURE: 3479800 -42.9404 -178.668 -74.3991 -178.668 -231.235 215.981 -74.3988 215.981 77.9436 GPRESSURE: 3479800 -43.7501 -243.352 -78.9672 -115.793 -150.717 257.711 -62.5499 251.643 92.1848 PRESSAVG: 3479800 -59.7509 -12.0858 -28.1563 -12.0858 32.5308 34.3742 -28.1563 34.3742 18.5936 GPRESSAVG: 3479800 -59.0964 -12.8274 -27.4226 -13.2884 32.039 34.8591 -27.0976 33.4155 17.9542 TIMING: 3479800 CPU: 10872.1, 0.00311611/step Wall: 10872.1, 0.00311611/step, 1.31586 hours remaining, 234.511719 MB of memory in use. ENERGY: 3479800 4103.4900 20526.0292 14473.0832 273.4513 -203523.5988 2871.2925 0.0000 0.0000 52184.2065 -109092.0463 299.9034 -161276.2527 -108736.0543 299.7262 -65.4106 -34.0942 762136.8818 -2.8755 -3.0344 PRESSURE: 3480000 404.434 11.7832 25.1962 11.7835 -19.6802 -52.8705 25.1967 -52.8694 246.352 GPRESSURE: 3480000 357.616 32.6839 -24.0731 48.6268 169.803 19.1929 21.8243 -70.4618 210.669 PRESSAVG: 3480000 -3.89186 -39.0163 -10.916 -39.0163 -43.8703 -18.775 -10.916 -18.775 23.907 GPRESSAVG: 3480000 -5.02417 -37.614 -10.3401 -39.0925 -43.2517 -18.0695 -12.3124 -16.8557 23.6753 TIMING: 3480000 CPU: 10872.8, 0.00311343/step Wall: 10872.8, 0.00311343/step, 1.31456 hours remaining, 234.511719 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: 3480000 3984.5116 20469.2546 14479.8631 259.8267 -203403.9687 2985.2360 0.0000 0.0000 52028.5217 -109196.7551 299.0086 -161225.2767 -108834.6601 299.4228 210.3684 246.0292 762586.9171 -7.9517 -8.2002 PRESSURE: 3480200 -392.807 0.283969 -3.8699 0.285074 163.507 -270.404 -3.86989 -270.403 145.913 GPRESSURE: 3480200 -253.288 -101.49 93.395 -141.221 159.915 -203.999 57.4083 -325.968 93.3338 PRESSAVG: 3480200 19.693 -8.48198 7.20108 -8.48191 -10.4486 -8.12316 7.20102 -8.12322 -3.14609 GPRESSAVG: 3480200 20.2759 -11.5149 7.05084 -9.85924 -11.7002 -9.04593 6.83582 -8.28377 -2.52935 TIMING: 3480200 CPU: 10873.4, 0.00311776/step Wall: 10873.4, 0.00311776/step, 1.31621 hours remaining, 234.511719 MB of memory in use. ENERGY: 3480200 3930.8378 20589.6635 14439.0525 277.3985 -203300.4448 2694.5443 0.0000 0.0000 52125.3049 -109243.6432 299.5648 -161368.9481 -108868.8818 299.0006 -27.7957 -0.0130 762798.2947 2.0328 2.0155 LDB: ============= START OF LOAD BALANCING ============== 10885.9 LDB: ============== END OF LOAD BALANCING =============== 10885.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10885.9 LDB: ============= START OF LOAD BALANCING ============== 10886.2 LDB: Largest compute 7077 load 0.031713 is 16.2% of average load 0.195232 LDB: Average compute 0.004375 is 2.2% of average load 0.195232 LDB: TIME 10886.2 LOAD: AVG 0.195232 MAX 0.215844 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.312 MB LDB: TIME 10886.2 LOAD: AVG 0.195232 MAX 0.215844 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.312 MB LDB: TIME 10886.2 LOAD: AVG 0.195232 MAX 0.215844 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.312 MB LDB: ============== END OF LOAD BALANCING =============== 10886.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10886.2 PRESSURE: 3480400 215.079 -111.969 71.286 -111.97 -112.866 -105.568 71.2852 -105.568 -194.376 GPRESSURE: 3480400 239.95 -138.33 67.7396 -88.7734 -96.2562 -35.6496 -120.757 -127.551 -179.37 PRESSAVG: 3480400 -1.19219 -87.4129 -13.0109 -87.413 13.8133 -45.8262 -13.0109 -45.8261 -7.31009 GPRESSAVG: 3480400 -1.53442 -85.1235 -13.3013 -85.3102 14.8045 -45.343 -11.7518 -46.8561 -8.38681 TIMING: 3480400 CPU: 10874, 0.00318268/step Wall: 10874, 0.00318268/step, 1.34344 hours remaining, 235.281250 MB of memory in use. ENERGY: 3480400 3973.0830 20727.5149 14499.3296 242.0541 -203001.9291 2441.3877 0.0000 0.0000 51857.7778 -109260.7820 298.0274 -161118.5598 -108888.7044 298.6218 -30.7213 -11.8920 763340.2631 1.7704 1.6278 PRESSURE: 3480600 -120.01 -109.57 289.643 -109.571 388.839 -30.7139 289.643 -30.7144 -42.1668 GPRESSURE: 3480600 14.1241 -237.816 225.872 -59.1203 411.559 -64.7807 176.431 -64.565 -92.5061 PRESSAVG: 3480600 16.0108 -69.0458 36.1718 -69.0459 -12.8201 -28.2683 36.1717 -28.2682 -2.38616 GPRESSAVG: 3480600 18.0008 -68.7277 35.8654 -70.5283 -13.3406 -28.4195 35.5164 -28.0046 -3.19614 TIMING: 3480600 CPU: 10874.6, 0.00311493/step Wall: 10874.6, 0.00311493/step, 1.31467 hours remaining, 235.539062 MB of memory in use. ENERGY: 3480600 3947.0300 20589.8843 14508.8356 240.1121 -203331.1008 2801.6443 0.0000 0.0000 52070.6469 -109172.9476 299.2507 -161243.5945 -108816.7351 299.2930 75.5540 111.0589 764071.1061 0.2682 0.4880 PRESSURE: 3480800 -91.1378 -62.3775 -80.9968 -62.3763 -68.243 -117.07 -80.9971 -117.068 -74.9638 GPRESSURE: 3480800 -73.1054 -111.036 -85.1647 -122.544 37.3031 -98.273 51.6978 -72.9917 -103.746 PRESSAVG: 3480800 -20.2344 -66.8896 34.5932 -66.8896 -33.2531 -48.7179 34.5932 -48.7179 -1.12781 GPRESSAVG: 3480800 -21.299 -67.1059 35.7226 -67.4273 -33.0385 -48.0872 34.1005 -48.6169 0.124979 TIMING: 3480800 CPU: 10875.3, 0.00312284/step Wall: 10875.3, 0.00312284/step, 1.31784 hours remaining, 235.609375 MB of memory in use. ENERGY: 3480800 3978.5775 20392.0234 14467.0069 241.4292 -203231.9260 2937.3636 0.0000 0.0000 52168.6947 -109046.8306 299.8142 -161215.5253 -108680.0068 299.6286 -78.1148 -46.5160 765812.6211 -18.2051 -18.0709 PRESSURE: 3481000 -10.2019 -59.0769 -180.781 -59.0766 -0.907912 372.848 -180.782 372.849 5.48741 GPRESSURE: 3481000 -17.0578 -43.0869 -207.872 -111.214 57.2172 330.944 14.6827 237.183 21.5605 PRESSAVG: 3481000 -47.4095 -44.4714 23.8412 -44.4714 74.6449 -1.28918 23.8413 -1.28912 2.85346 GPRESSAVG: 3481000 -47.2967 -45.4341 23.0064 -44.7271 73.9768 -2.47202 23.0631 -0.98475 2.58108 TIMING: 3481000 CPU: 10875.9, 0.0031444/step Wall: 10875.9, 0.0031444/step, 1.32676 hours remaining, 235.609375 MB of memory in use. ENERGY: 3481000 3991.6299 20534.9670 14519.2148 254.3499 -203487.1285 2972.0769 0.0000 0.0000 52136.7531 -109078.1368 299.6306 -161214.8899 -108733.9745 299.6027 -1.8741 20.5733 762489.9471 10.0296 9.7538 PRESSURE: 3481200 233.887 -176.27 252.118 -176.27 -20.0748 126.158 252.117 126.159 -19.1251 GPRESSURE: 3481200 327.296 -131.504 199.804 -22.3451 -1.18005 76.7984 141.399 71.4307 -59.485 PRESSAVG: 3481200 -25.674 -52.7543 5.30182 -52.7543 -4.21222 -26.6318 5.30178 -26.6317 -13.7779 GPRESSAVG: 3481200 -26.2852 -54.4777 4.15548 -49.5407 -3.98738 -27.041 6.02659 -26.1882 -13.3321 TIMING: 3481200 CPU: 10876.5, 0.00312661/step Wall: 10876.5, 0.00312661/step, 1.31908 hours remaining, 235.609375 MB of memory in use. ENERGY: 3481200 4027.4372 20444.3764 14437.5018 228.6517 -203544.5929 2858.1353 0.0000 0.0000 52490.0064 -109058.4842 301.6608 -161548.4906 -108684.9044 300.1330 64.8958 88.8771 763109.6586 -14.5547 -14.5349 PRESSURE: 3481400 280.441 -272.185 -122.485 -272.184 -25.4401 124.326 -122.486 124.326 -86.0701 GPRESSURE: 3481400 249.909 -230.259 -86.5211 -144.636 -9.56949 185.211 34.0397 136.04 13.3133 PRESSAVG: 3481400 37.9253 -23.8208 -27.2522 -23.8208 -16.2092 19.6915 -27.2522 19.6915 21.1697 GPRESSAVG: 3481400 37.7275 -22.9466 -24.2073 -24.7052 -16.9141 20.4302 -29.7712 17.4975 21.6817 TIMING: 3481400 CPU: 10877.1, 0.00312501/step Wall: 10877.1, 0.00312501/step, 1.31823 hours remaining, 235.609375 MB of memory in use. ENERGY: 3481400 4015.8358 20551.6906 14398.3924 250.0538 -203505.4976 3035.9203 0.0000 0.0000 52131.7157 -109121.8889 299.6017 -161253.6046 -108758.1168 299.1773 56.3104 84.5510 762192.5526 14.2953 14.1650 PRESSURE: 3481600 -173.918 -164.726 -13.4207 -164.726 -45.264 -199.401 -13.4201 -199.401 -39.331 GPRESSURE: 3481600 -94.7612 -198.229 23.5302 -189.88 12.0134 -143.553 -89.7504 -192.214 -87.1435 PRESSAVG: 3481600 5.20359 -33.9727 41.3912 -33.9727 23.02 10.1673 41.3912 10.1674 -0.505507 GPRESSAVG: 3481600 7.001 -34.4327 39.6569 -35.8411 21.8602 10.5347 43.5503 11.6205 -0.494994 TIMING: 3481600 CPU: 10877.8, 0.00314313/step Wall: 10877.8, 0.00314313/step, 1.3257 hours remaining, 235.609375 MB of memory in use. ENERGY: 3481600 4029.3997 20504.6291 14488.3791 242.2116 -203231.4404 2659.4320 0.0000 0.0000 52248.4916 -109058.8973 300.2728 -161307.3889 -108693.6385 299.7514 -86.1709 -56.6305 762474.2273 9.2393 9.4554 PRESSURE: 3481800 21.777 21.806 187.97 21.8044 -142.593 -152.567 187.971 -152.567 112.732 GPRESSURE: 3481800 -20.124 -58.9108 245.052 -72.8592 -38.3 -78.6211 77.6432 -186.327 127.107 PRESSAVG: 3481800 71.3439 -39.9882 -5.40927 -39.9883 -23.1605 -20.9832 -5.40929 -20.9832 -24.6854 GPRESSAVG: 3481800 70.0222 -41.359 -5.80334 -39.5609 -21.4746 -20.273 -5.0486 -22.1148 -24.7317 TIMING: 3481800 CPU: 10878.4, 0.00312663/step Wall: 10878.4, 0.00312663/step, 1.31857 hours remaining, 235.609375 MB of memory in use. ENERGY: 3481800 4061.2062 20482.6530 14386.4023 249.4084 -203057.7935 2626.1957 0.0000 0.0000 52205.3055 -109046.6224 300.0246 -161251.9279 -108668.0247 299.8667 -2.6948 22.8945 762816.6894 7.8327 7.9386 PRESSURE: 3482000 392.821 83.2044 -142.987 83.205 53.5571 55.9052 -142.986 55.9058 -225.082 GPRESSURE: 3482000 447.691 102.07 -169.672 92.7617 -15.1749 2.43943 -86.8004 -49.1391 -138.152 PRESSAVG: 3482000 2.93088 -49.0374 -56.0607 -49.0373 20.1727 12.6137 -56.0607 12.6136 25.399 GPRESSAVG: 3482000 3.12428 -45.909 -57.7594 -50.3149 21.0007 12.9393 -54.481 12.5558 24.6219 TIMING: 3482000 CPU: 10879, 0.00310856/step Wall: 10879, 0.00310856/step, 1.31078 hours remaining, 235.609375 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: 3482000 4022.1143 20505.6282 14401.8743 240.8296 -202850.3759 2392.0450 0.0000 0.0000 52270.9368 -109016.9476 300.4018 -161287.8845 -108653.1127 300.4208 73.7652 98.1213 762734.2989 16.1675 16.2490 PRESSURE: 3482200 -254.328 116.537 -195.134 116.538 261.018 -222.109 -195.134 -222.109 -487.851 GPRESSURE: 3482200 -126.757 148.319 -146.281 92.4215 238.847 -231.052 -183.733 -37.0131 -510.572 PRESSAVG: 3482200 4.29858 -35.7162 -34.1263 -35.7161 34.5274 9.21142 -34.1263 9.21144 4.22237 GPRESSAVG: 3482200 4.89674 -36.2703 -32.1676 -34.2042 34.4165 10.3364 -34.4547 10.058 3.87387 TIMING: 3482200 CPU: 10879.6, 0.00310996/step Wall: 10879.6, 0.00310996/step, 1.31119 hours remaining, 235.609375 MB of memory in use. ENERGY: 3482200 3986.9025 20646.7794 14468.4771 249.8771 -202884.2932 2512.2889 0.0000 0.0000 52098.8555 -108921.1128 299.4128 -161019.9682 -108559.8077 299.6077 -160.3869 -132.8271 763620.2055 14.3495 14.3957 PRESSURE: 3482400 -341.26 -128.082 -219.257 -128.082 89.9818 -260.571 -219.256 -260.571 -166.138 GPRESSURE: 3482400 -341.485 -70.1653 -171.754 -152.006 168.335 -207.89 -243.625 -292.939 -144.995 PRESSAVG: 3482400 -11.8832 -45.0445 -59.2068 -45.0446 -34.1714 41.8517 -59.2069 41.8517 -12.7843 GPRESSAVG: 3482400 -12.4058 -44.0816 -58.5497 -47.275 -33.8132 41.5875 -58.9928 40.4965 -12.8413 TIMING: 3482400 CPU: 10880.3, 0.00311673/step Wall: 10880.3, 0.00311673/step, 1.31388 hours remaining, 235.609375 MB of memory in use. ENERGY: 3482400 4029.5493 20486.4513 14396.9297 243.3507 -202448.1113 2436.6194 0.0000 0.0000 51996.9016 -108858.3093 298.8269 -160855.2109 -108493.6559 299.7543 -139.1386 -106.0482 764309.7061 -19.6130 -19.6868 PRESSURE: 3482600 -84.1445 91.4295 -158.103 91.4291 46.1701 -200.531 -158.103 -200.532 324.187 GPRESSURE: 3482600 -64.252 -20.7956 -167.406 161.909 53.9261 -251.367 -24.4105 -226.612 377.213 PRESSAVG: 3482600 -33.8627 -29.1593 -57.4478 -29.1593 4.76429 -5.17864 -57.4479 -5.17862 -5.63927 GPRESSAVG: 3482600 -33.9194 -30.9708 -57.8 -26.9568 4.28738 -5.36328 -58.3318 -4.00439 -4.68308 TIMING: 3482600 CPU: 10880.9, 0.00312714/step Wall: 10880.9, 0.00312714/step, 1.31809 hours remaining, 235.609375 MB of memory in use. ENERGY: 3482600 4060.5113 20384.7911 14399.9347 270.7030 -202998.3752 2741.2359 0.0000 0.0000 52146.4278 -108994.7715 299.6862 -161141.1993 -108633.9158 299.9634 95.4041 122.2958 763770.4466 -11.5792 -11.4384 PRESSURE: 3482800 -245.927 10.5324 105.055 10.5328 -37.129 -118.054 105.054 -118.055 -293.711 GPRESSURE: 3482800 -265.023 -1.16655 79.938 -63.1776 68.3438 -128.827 94.1522 -73.2828 -309.161 PRESSAVG: 3482800 -55.6737 -40.6791 -68.7956 -40.679 42.1858 -16.9724 -68.7956 -16.9725 3.5993 GPRESSAVG: 3482800 -55.4333 -39.4302 -69.0985 -44.3023 42.2865 -16.5947 -68.8351 -18.9926 2.79349 TIMING: 3482800 CPU: 10881.5, 0.00312938/step Wall: 10881.5, 0.00312938/step, 1.31886 hours remaining, 235.609375 MB of memory in use. ENERGY: 3482800 4063.1682 20546.4135 14464.0888 239.0018 -202845.7310 2539.3605 0.0000 0.0000 52113.3180 -108880.3803 299.4960 -160993.6983 -108507.6373 300.0462 -192.2555 -168.6134 763779.0053 -3.2962 -3.4511 PRESSURE: 3483000 -212.756 115.545 75.3371 115.544 263.129 239.019 75.3382 239.018 57.6189 GPRESSURE: 3483000 -223.793 65.5824 132.569 101.333 310.271 163.994 24.2134 200.179 101.678 PRESSAVG: 3483000 17.4804 9.82122 -16.9597 9.82115 3.80465 -13.0299 -16.9596 -13.0299 -1.25442 GPRESSAVG: 3483000 17.8824 10.9538 -17.3038 10.6727 3.58392 -16.939 -16.5599 -10.2755 -0.984834 TIMING: 3483000 CPU: 10882.1, 0.00310384/step Wall: 10882.1, 0.00310384/step, 1.30792 hours remaining, 235.609375 MB of memory in use. ENERGY: 3483000 4006.7504 20579.6542 14404.8005 259.4069 -202905.2577 2536.8904 0.0000 0.0000 52155.8307 -108961.9245 299.7403 -161117.7552 -108602.2001 299.9898 35.9970 62.7187 762794.1667 6.6769 6.8272 PRESSURE: 3483200 262.992 -52.3747 -147.794 -52.3754 317.536 -7.85599 -147.794 -7.85506 325.187 GPRESSURE: 3483200 277.509 -11.2688 -130.848 19.0434 357.981 -106.005 -107.538 -22.5339 367.85 PRESSAVG: 3483200 -4.8879 -23.9405 -29.405 -23.9405 28.8097 -49.8029 -29.4051 -49.8028 8.01953 GPRESSAVG: 3483200 -5.44943 -24.0309 -31.1712 -22.5617 27.29 -48.2689 -30.2354 -47.677 9.53414 TIMING: 3483200 CPU: 10882.8, 0.00314332/step Wall: 10882.8, 0.00314332/step, 1.32438 hours remaining, 235.609375 MB of memory in use. ENERGY: 3483200 3902.1467 20451.9460 14398.8146 243.7545 -202774.5160 2761.7256 0.0000 0.0000 52096.6503 -108919.4783 299.4002 -161016.1285 -108564.3178 299.9257 301.9048 334.4464 764541.9208 10.6471 10.4582 PRESSURE: 3483400 -346.297 -25.0851 41.6621 -25.0848 -168.725 -82.3663 41.6627 -82.3655 115.835 GPRESSURE: 3483400 -226.014 -94.355 140.276 -53.8316 -174.164 36.133 63.871 -97.0543 82.35 PRESSAVG: 3483400 -80.2672 -34.7992 -13.7524 -34.7992 66.4664 -1.41088 -13.7524 -1.41086 5.57313 GPRESSAVG: 3483400 -81.2515 -36.5525 -12.6844 -33.7765 69.2103 -0.0887043 -12.0439 -4.99575 4.21356 TIMING: 3483400 CPU: 10883.4, 0.00313015/step Wall: 10883.4, 0.00313015/step, 1.31866 hours remaining, 235.609375 MB of memory in use. ENERGY: 3483400 3974.3399 20496.8985 14521.6451 250.7201 -203065.1897 2771.4963 0.0000 0.0000 52043.1618 -109006.9280 299.0928 -161050.0898 -108650.9880 300.1144 -133.0623 -105.9426 761751.1740 -2.7426 -2.6092 PRESSURE: 3483600 172.968 147.249 -107.291 147.249 166.86 -120.628 -107.292 -120.628 234.668 GPRESSURE: 3483600 101.628 -75.557 -166.835 75.6509 220.475 -188.19 -139.538 -80.3823 318.207 PRESSAVG: 3483600 -24.4861 -50.6132 -3.9333 -50.6132 32.9862 -25.1601 -3.93324 -25.1601 -0.329012 GPRESSAVG: 3483600 -25.0078 -50.6439 -3.42616 -50.346 32.4392 -25.1051 -5.54284 -24.1789 1.14134 TIMING: 3483600 CPU: 10884, 0.003125/step Wall: 10884, 0.003125/step, 1.31632 hours remaining, 235.609375 MB of memory in use. ENERGY: 3483600 4028.8932 20365.9886 14526.1348 246.4548 -203125.1745 2805.1051 0.0000 0.0000 51921.8787 -109230.7194 298.3958 -161152.5981 -108879.6231 299.5195 191.4987 213.4365 761501.3282 2.7237 2.8576 PRESSURE: 3483800 -78.6679 -11.4369 144 -11.4363 195.696 -39.8049 144.001 -39.8056 -124.864 GPRESSURE: 3483800 29.2995 10.2923 35.4761 -31.9783 119.153 -43.9802 93.8845 -55.9253 -98.8657 PRESSAVG: 3483800 -66.9027 13.9686 -23.0432 13.9685 29.5107 27.1207 -23.0432 27.1208 13.4899 GPRESSAVG: 3483800 -65.6642 15.875 -24.0311 14.8858 27.5582 27.2334 -24.7282 25.058 13.1896 TIMING: 3483800 CPU: 10884.6, 0.00310435/step Wall: 10884.6, 0.00310435/step, 1.30745 hours remaining, 235.609375 MB of memory in use. ENERGY: 3483800 3962.3593 20507.9773 14496.9822 243.9639 -202766.4146 2493.2581 0.0000 0.0000 51812.7976 -109249.0761 297.7689 -161061.8737 -108891.7739 298.5925 -2.6120 16.5290 764088.6582 -7.9674 -8.3055 PRESSURE: 3484000 404.841 288.769 -115.585 288.77 93.7831 177.56 -115.584 177.559 -157.325 GPRESSURE: 3484000 372.143 219.163 -61.973 253.283 191.587 226.689 -80.6753 99.4818 -160.486 PRESSAVG: 3484000 -24.6291 5.4734 -54.1633 5.47343 8.22844 6.21847 -54.1633 6.21842 3.22472 GPRESSAVG: 3484000 -25.0846 3.42768 -52.2243 3.97954 9.42673 5.43994 -50.9473 7.21315 2.19606 TIMING: 3484000 CPU: 10885.3, 0.00311545/step Wall: 10885.3, 0.00311545/step, 1.31195 hours remaining, 235.609375 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: 3484000 3972.9106 20428.3452 14442.7657 231.9445 -203104.3394 2797.4429 0.0000 0.0000 52029.3631 -109201.5674 299.0135 -161230.9305 -108849.4280 298.6443 113.7664 134.4148 761229.2829 -4.3920 -4.4873 PRESSURE: 3484200 131.446 -9.01026 58.7358 -9.0108 -295.558 -65.6466 58.7354 -65.646 247.672 GPRESSURE: 3484200 153.406 8.66478 43.1977 -95.6056 -246.877 -114.726 19.2609 49.8033 255.685 PRESSAVG: 3484200 58.8685 -31.2307 -27.7547 -31.2307 -47.1747 27.0589 -27.7547 27.0588 -44.3536 GPRESSAVG: 3484200 59.5286 -30.7959 -28.6996 -30.3687 -47.1367 26.8422 -29.4892 28.5841 -44.4551 TIMING: 3484200 CPU: 10885.9, 0.00310936/step Wall: 10885.9, 0.00310936/step, 1.30921 hours remaining, 235.609375 MB of memory in use. ENERGY: 3484200 3987.5037 20470.4793 14496.8450 234.6370 -202769.2735 2787.9295 0.0000 0.0000 51686.8483 -109105.0307 297.0450 -160791.8790 -108739.1286 299.0340 27.8534 54.0717 764113.0385 -10.8866 -10.6877 LDB: ============= START OF LOAD BALANCING ============== 10898.4 LDB: ============== END OF LOAD BALANCING =============== 10898.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10898.4 LDB: ============= START OF LOAD BALANCING ============== 10898.7 LDB: Largest compute 7070 load 0.029463 is 15.1% of average load 0.195110 LDB: Average compute 0.004382 is 2.2% of average load 0.195110 LDB: TIME 10898.7 LOAD: AVG 0.19511 MAX 0.216271 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.449 MB LDB: TIME 10898.7 LOAD: AVG 0.19511 MAX 0.216271 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.652 MB LDB: TIME 10898.7 LOAD: AVG 0.19511 MAX 0.216271 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.652 MB LDB: ============== END OF LOAD BALANCING =============== 10898.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10898.7 PRESSURE: 3484400 -94.2637 -14.1359 -119.622 -14.1353 288.521 -4.31712 -119.622 -4.31832 211.534 GPRESSURE: 3484400 -51.036 5.17922 -24.0346 -5.74534 338.579 -21.6828 9.10793 12.5151 217.658 PRESSAVG: 3484400 1.92307 -3.51611 57.4527 -3.51612 -7.80983 26.5691 57.4526 26.569 14.4731 GPRESSAVG: 3484400 2.04308 -3.45348 58.1947 -3.84099 -7.31283 26.5449 58.1211 24.9973 14.1338 TIMING: 3484400 CPU: 10886.5, 0.003182/step Wall: 10886.5, 0.003182/step, 1.33962 hours remaining, 234.253906 MB of memory in use. ENERGY: 3484400 3978.7081 20363.4657 14514.9654 235.8314 -203177.6862 2853.2827 0.0000 0.0000 51999.0928 -109232.3401 298.8395 -161231.4329 -108879.6230 298.7274 135.2638 168.4004 763505.7572 2.8621 2.9547 PRESSURE: 3484600 -18.7168 -110.957 -96.5446 -110.957 191.116 115.99 -96.5444 115.99 -125.675 GPRESSURE: 3484600 66.9925 -150.868 -156.925 51.2443 185.707 138.472 -88.6952 139.432 -103.244 PRESSAVG: 3484600 -2.09361 -43.7614 -5.58518 -43.7614 21.7861 22.485 -5.58513 22.485 -21.2132 GPRESSAVG: 3484600 -1.70401 -43.0858 -5.52827 -43.6681 21.0093 23.1814 -7.33237 21.4953 -20.7498 TIMING: 3484600 CPU: 10887.1, 0.00310523/step Wall: 10887.1, 0.00310523/step, 1.30713 hours remaining, 234.253906 MB of memory in use. ENERGY: 3484600 3999.2229 20430.8796 14498.6719 269.6321 -203043.4252 2827.6357 0.0000 0.0000 51703.6820 -109313.7009 297.1418 -161017.3829 -108954.3093 298.4824 15.5749 49.8185 762786.8925 -0.5069 -0.4815 PRESSURE: 3484800 -112.199 -249.544 -93.4497 -249.543 -191.691 44.6651 -93.45 44.6645 -535.721 GPRESSURE: 3484800 -65.9586 -260.463 -164.776 -141.832 -147.166 79.1232 -177.511 -17.4903 -533.955 PRESSAVG: 3484800 -16.2494 -6.69469 -9.39697 -6.69465 7.42843 61.6234 -9.39697 61.6234 -16.8256 GPRESSAVG: 3484800 -17.3412 -5.53721 -8.78954 -7.40398 8.40844 61.3781 -8.99374 61.3611 -16.3975 TIMING: 3484800 CPU: 10887.8, 0.00309681/step Wall: 10887.8, 0.00309681/step, 1.30341 hours remaining, 234.253906 MB of memory in use. ENERGY: 3484800 4050.5839 20518.0947 14411.1463 241.0161 -203052.8170 2722.0355 0.0000 0.0000 51703.3359 -109406.6048 297.1398 -161109.9407 -109039.5212 298.7310 -279.8706 -249.0265 762719.7459 -8.5488 -8.4434 PRESSURE: 3485000 -246.319 160.42 -28.1279 160.42 -96.8522 -200.626 -28.1288 -200.626 86.055 GPRESSURE: 3485000 -116.37 107.166 -95.9602 105.663 -88.0343 -272.642 68.872 20.8122 25.8578 PRESSAVG: 3485000 -22.8178 -72.7367 -8.76078 -72.7367 8.56166 -22.7792 -8.7609 -22.7792 -20.948 GPRESSAVG: 3485000 -21.6953 -75.0896 -9.18304 -71.5781 8.22987 -22.98 -7.15747 -21.7403 -21.2442 TIMING: 3485000 CPU: 10888.4, 0.00311195/step Wall: 10888.4, 0.00311196/step, 1.30961 hours remaining, 234.253906 MB of memory in use. ENERGY: 3485000 4042.6145 20420.5433 14435.1069 259.7833 -203014.2771 2592.7303 0.0000 0.0000 51930.5631 -109332.9358 298.4457 -161263.4989 -108975.7426 298.5765 -85.7055 -59.5156 763154.3721 -11.7347 -11.5699 PRESSURE: 3485200 61.0891 -107.593 -86.6505 -107.592 284.35 -253.828 -86.6512 -253.828 247.441 GPRESSURE: 3485200 219.074 -176.794 -131.202 -102.479 199.458 -250.177 -81.1196 -262.498 255.426 PRESSAVG: 3485200 -40.8238 -50.6233 -40.8002 -50.6233 57.4915 -29.4696 -40.8002 -29.4696 -4.77468 GPRESSAVG: 3485200 -40.3479 -49.6172 -41.1311 -51.7681 57.3907 -28.5498 -41.2077 -30.2255 -4.89742 TIMING: 3485200 CPU: 10889, 0.00312031/step Wall: 10889, 0.00312031/step, 1.31296 hours remaining, 234.253906 MB of memory in use. ENERGY: 3485200 3971.6710 20560.1029 14464.3242 259.9043 -203547.0402 2907.1891 0.0000 0.0000 52033.8901 -109349.9586 299.0395 -161383.8487 -108986.5887 299.3873 197.6268 224.6528 762676.5399 3.9643 4.0485 PRESSURE: 3485400 -506.608 -172.048 -28.5369 -172.048 40.8788 41.5107 -28.5377 41.5101 -487.63 GPRESSURE: 3485400 -345.966 -185.425 10.4104 -73.7001 -53.9267 26.0221 9.10479 100.908 -491.483 PRESSAVG: 3485400 -83.747 -77.3438 -0.991427 -77.3437 57.3425 -17.4786 -0.991374 -17.4786 4.0611 GPRESSAVG: 3485400 -82.871 -76.7167 -1.14389 -77.58 56.1062 -19.9835 -2.34978 -16.1589 4.11528 TIMING: 3485400 CPU: 10889.6, 0.00310786/step Wall: 10889.6, 0.00310786/step, 1.30755 hours remaining, 234.253906 MB of memory in use. ENERGY: 3485400 3964.1807 20474.6239 14391.5012 248.9211 -203061.8469 2472.4013 0.0000 0.0000 52267.1819 -109243.0368 300.3802 -161510.2187 -108878.7452 299.4186 -317.7865 -297.1255 763917.1294 -7.4478 -7.5498 PRESSURE: 3485600 -258.29 38.3975 -40.5564 38.3969 -238.296 -95.5903 -40.5565 -95.5902 264.784 GPRESSURE: 3485600 -280.153 51.3183 3.98593 39.4307 -208.251 -36.8056 20.4246 -139.636 354.26 PRESSAVG: 3485600 -19.3012 -97.5559 8.33788 -97.5559 44.029 58.9429 8.33796 58.9428 -15.6349 GPRESSAVG: 3485600 -21.0044 -99.1593 7.68773 -95.4215 45.2334 58.5558 10.144 57.8461 -15.5468 TIMING: 3485600 CPU: 10890.3, 0.00311473/step Wall: 10890.3, 0.00311473/step, 1.31026 hours remaining, 234.253906 MB of memory in use. ENERGY: 3485600 4005.0192 20434.2242 14428.3481 254.7690 -203214.4946 2442.8197 0.0000 0.0000 52377.0536 -109272.2608 301.0116 -161649.3144 -108906.2434 299.8999 -77.2676 -44.7145 763315.1153 3.0310 2.8941 PRESSURE: 3485800 -275.462 13.9856 -90.3332 13.9851 392.44 198.357 -90.3328 198.357 77.9587 GPRESSURE: 3485800 -136.961 33.4944 -139.485 32.5895 345.553 249.843 -112.207 89.4065 83.5051 PRESSAVG: 3485800 19.537 -16.0647 -19.5604 -16.0648 3.54512 -6.27438 -19.5604 -6.2744 38.4557 GPRESSAVG: 3485800 19.4624 -13.1227 -18.1711 -17.2272 2.83666 -5.05152 -21.3469 -4.13519 39.2817 TIMING: 3485800 CPU: 10890.9, 0.00310562/step Wall: 10890.9, 0.00310562/step, 1.30626 hours remaining, 234.253906 MB of memory in use. ENERGY: 3485800 4034.3342 20541.5298 14391.4396 244.0512 -203177.1710 2596.8776 0.0000 0.0000 52171.2586 -109197.6800 299.8289 -161368.9386 -108848.9631 299.5649 64.9790 97.3657 763070.6656 20.5126 20.5269 PRESSURE: 3486000 -523.72 -177.948 -6.16426 -177.949 -121.573 55.7999 -6.16532 55.8003 -574.563 GPRESSURE: 3486000 -331.813 -132.615 -61.7359 -145.117 -255.225 84.0848 85.4225 -7.68244 -551.633 PRESSAVG: 3486000 -20.7748 -55.4762 35.3154 -55.4762 -9.42336 -61.5287 35.3155 -61.5287 -15.082 GPRESSAVG: 3486000 -18.2645 -55.2297 34.2599 -57.2132 -10.5169 -60.043 36.5257 -65.6847 -16.9447 TIMING: 3486000 CPU: 10891.5, 0.00311881/step Wall: 10891.5, 0.00311881/step, 1.31163 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3486000 4027.8855 20678.0285 14447.6751 259.2465 -203529.2476 2933.7342 0.0000 0.0000 52095.7438 -109086.9340 299.3950 -161182.6778 -108729.9122 299.9276 -406.6188 -379.5568 765801.0913 -15.0934 -15.2421 PRESSURE: 3486200 -34.6297 -242.775 -21.5166 -242.774 -78.4126 -160.981 -21.5161 -160.981 209.557 GPRESSURE: 3486200 -104.014 -150.867 19.6526 -192.79 28.1686 -162.774 -131.908 -72.1962 251.581 PRESSAVG: 3486200 -9.90737 -24.4379 -0.289534 -24.4379 -19.6375 -53.6061 -0.289483 -53.6061 7.48286 GPRESSAVG: 3486200 -12.3337 -25.6657 0.453721 -24.713 -17.1269 -55.5068 -2.70719 -52.0225 7.60115 TIMING: 3486200 CPU: 10892.1, 0.00310715/step Wall: 10892.1, 0.00310715/step, 1.30656 hours remaining, 234.253906 MB of memory in use. ENERGY: 3486200 3939.4216 20526.0622 14475.9123 267.9081 -203390.8726 2885.3747 0.0000 0.0000 52178.3634 -109117.8304 299.8698 -161296.1938 -108745.6564 300.0816 32.1717 58.5785 763413.6332 -7.3540 -7.2865 PRESSURE: 3486400 -4.0826 -43.8147 43.2925 -43.8139 312.735 60.971 43.2928 60.9698 -187.63 GPRESSURE: 3486400 -0.170618 -126.525 78.759 -20.0962 327.963 -0.391748 -65.696 81.5334 -138.483 PRESSAVG: 3486400 -0.800487 17.4452 56.3658 17.4451 4.59606 -55.238 56.3658 -55.238 -15.2327 GPRESSAVG: 3486400 0.449241 17.0606 56.0346 18.0113 4.76037 -55.9029 56.7906 -53.763 -16.2188 TIMING: 3486400 CPU: 10892.7, 0.00310716/step Wall: 10892.7, 0.00310716/step, 1.30639 hours remaining, 234.253906 MB of memory in use. ENERGY: 3486400 4032.4417 20698.3710 14489.5944 242.9635 -203289.7806 2687.2617 0.0000 0.0000 52023.9890 -109115.1594 298.9826 -161139.1484 -108753.6990 299.4169 40.3407 63.1030 763598.5075 -3.8124 -3.6697 PRESSURE: 3486600 -124.909 -136.062 -112.684 -136.063 -186.092 -101.136 -112.684 -101.136 -369.61 GPRESSURE: 3486600 -164.12 -62.929 -110.522 -151.762 -120.188 7.16748 -60.055 43.2182 -318.446 PRESSAVG: 3486600 -19.1993 -13.0028 -14.5278 -13.0028 17.2335 28.5781 -14.5277 28.5781 -20.434 GPRESSAVG: 3486600 -19.1701 -11.4309 -15.1178 -14.53 15.3805 29.6624 -13.6911 28.0889 -19.2698 TIMING: 3486600 CPU: 10893.4, 0.00310298/step Wall: 10893.4, 0.00310298/step, 1.30446 hours remaining, 234.253906 MB of memory in use. ENERGY: 3486600 3994.7180 20582.4087 14505.6033 263.7574 -203195.5574 2605.9568 0.0000 0.0000 51943.4898 -109299.6233 298.5199 -161243.1131 -108942.2510 299.2819 -226.8702 -200.9181 763664.8410 -7.4666 -7.6865 PRESSURE: 3486800 29.6576 355.785 200.56 355.784 39.3974 -113.625 200.559 -113.626 213.708 GPRESSURE: 3486800 12.6759 261.838 188.161 330.812 139.577 -39.6684 238.414 -68.8619 212.648 PRESSAVG: 3486800 -24.6219 -6.10521 -42.573 -6.10511 19.1311 35.4945 -42.573 35.4944 1.78973 GPRESSAVG: 3486800 -24.5655 -7.35616 -43.0228 -4.05766 19.9091 35.6576 -41.041 35.2196 0.841414 TIMING: 3486800 CPU: 10894, 0.00310244/step Wall: 10894, 0.00310244/step, 1.30406 hours remaining, 234.253906 MB of memory in use. ENERGY: 3486800 3940.1149 20492.6593 14479.3375 248.6844 -203663.2643 2812.7448 0.0000 0.0000 52069.4772 -109620.2463 299.2440 -161689.7235 -109253.0038 299.0769 94.2544 121.6337 762349.2168 -1.2337 -1.2717 PRESSURE: 3487000 -86.1647 162.624 -89.5519 162.624 99.4774 164.616 -89.5525 164.616 92.817 GPRESSURE: 3487000 -34.0321 161.543 -140.425 153.089 127.012 133.579 -85.7192 223.653 108.47 PRESSAVG: 3487000 -15.1031 -58.6993 -11.0396 -58.6994 12.3885 8.24759 -11.0397 8.24759 12.1736 GPRESSAVG: 3487000 -16.2968 -59.0868 -10.4067 -56.9634 13.1125 7.16923 -11.3619 8.43445 13.1043 TIMING: 3487000 CPU: 10894.6, 0.00311479/step Wall: 10894.6, 0.00311479/step, 1.30908 hours remaining, 234.253906 MB of memory in use. ENERGY: 3487000 4018.4278 20602.9137 14405.8831 243.1285 -203551.6188 2891.7533 0.0000 0.0000 51697.1148 -109692.3977 297.1040 -161389.5125 -109324.4417 298.4681 35.3766 67.1498 763235.7133 3.1530 3.3067 PRESSURE: 3487200 3.57446 169.916 327.587 169.916 256.357 129.206 327.587 129.206 520.054 GPRESSURE: 3487200 86.3637 180.979 316.351 167.909 208.692 110.781 222.11 14.8112 554.774 PRESSAVG: 3487200 65.576 -7.25224 1.13119 -7.25225 -33.7955 -48.3418 1.13116 -48.3418 12.3766 GPRESSAVG: 3487200 66.4079 -5.70483 0.268434 -8.27408 -34.5791 -48.739 -0.170515 -49.4275 12.2214 TIMING: 3487200 CPU: 10895.2, 0.00310829/step Wall: 10895.2, 0.00310829/step, 1.30617 hours remaining, 234.253906 MB of memory in use. ENERGY: 3487200 4034.5260 20487.5272 14483.0983 235.0394 -203229.5598 2491.5150 0.0000 0.0000 51865.1153 -109632.7386 298.0695 -161497.8539 -109274.7959 298.2920 259.9949 283.2768 761981.9755 14.7191 14.6834 PRESSURE: 3487400 108.059 -27.2184 -124.351 -27.2177 -33.1765 -88.9711 -124.35 -88.9713 9.29428 GPRESSURE: 3487400 146.319 4.84565 -124.294 -28.4923 -13.3119 -75.0821 -31.7921 20.2647 38.5684 PRESSAVG: 3487400 33.0992 21.317 47.9135 21.317 -30.7209 0.517492 47.9134 0.517585 -25.5296 GPRESSAVG: 3487400 34.3445 21.3205 47.8413 19.8381 -31.5753 1.56181 50.7619 1.11856 -25.9281 TIMING: 3487400 CPU: 10895.8, 0.00311874/step Wall: 10895.8, 0.00311875/step, 1.31039 hours remaining, 234.253906 MB of memory in use. ENERGY: 3487400 4034.7882 20467.4210 14507.9834 266.4418 -203813.9195 2845.0287 0.0000 0.0000 51933.8861 -109758.3703 298.4648 -161692.2564 -109385.7621 298.2342 28.0589 57.1918 761845.9726 -7.7171 -7.7196 PRESSURE: 3487600 -20.1616 100.579 166.289 100.579 -55.5081 -104.678 166.29 -104.677 84.8387 GPRESSURE: 3487600 -7.79123 62.4055 51.9511 88.1747 -12.2559 -123.401 81.168 -143.471 116.299 PRESSAVG: 3487600 -37.5869 -43.4054 14.2959 -43.4055 92.1457 31.1361 14.2959 31.1361 -22.9455 GPRESSAVG: 3487600 -39.2978 -44.8475 13.8831 -44.6304 92.8583 31.8846 11.6625 29.784 -22.4454 TIMING: 3487600 CPU: 10896.5, 0.00312365/step Wall: 10896.5, 0.00312365/step, 1.31228 hours remaining, 234.253906 MB of memory in use. ENERGY: 3487600 3985.8867 20529.0541 14392.0061 263.5016 -203465.5169 2732.6737 0.0000 0.0000 51912.7593 -109649.6355 298.3433 -161562.3948 -109277.7125 298.1892 3.0563 32.0840 762901.4241 10.5378 10.3717 PRESSURE: 3487800 -318.58 -57.0963 -14.7599 -57.0969 -341.631 18.4521 -14.7598 18.4523 -481.574 GPRESSURE: 3487800 -404.387 -13.1344 -58.1953 -65.3402 -192.569 -54.6563 53.7193 -31.4004 -464.572 PRESSAVG: 3487800 -14.6386 -77.7642 -60.4107 -77.7642 16.959 -7.85475 -60.4106 -7.85478 -1.90412 GPRESSAVG: 3487800 -15.6807 -76.0332 -59.6762 -76.4133 19.0939 -10.2771 -59.6054 -5.82058 -2.40481 TIMING: 3487800 CPU: 10897.1, 0.00313085/step Wall: 10897.1, 0.00313085/step, 1.31513 hours remaining, 234.253906 MB of memory in use. ENERGY: 3487800 3974.0245 20410.0044 14446.3121 251.7005 -203471.2955 2760.7946 0.0000 0.0000 51886.1260 -109742.3334 298.1903 -161628.4594 -109375.0454 298.6904 -380.5950 -353.8428 765141.1254 0.1388 0.3361 PRESSURE: 3488000 114.047 34.4652 68.3751 34.4648 273.243 102.544 68.3748 102.543 166.449 GPRESSURE: 3488000 184.199 -37.4992 38.186 85.4045 304.768 164.764 17.8516 45.0041 164.328 PRESSAVG: 3488000 -34.4325 9.11639 26.6454 9.11648 86.3363 24.0894 26.6454 24.0895 2.15771 GPRESSAVG: 3488000 -32.0215 8.04965 27.2464 8.61811 83.4524 25.7482 26.8463 20.1944 2.55219 TIMING: 3488000 CPU: 10897.7, 0.00313154/step Wall: 10897.7, 0.00313154/step, 1.31525 hours remaining, 234.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3488000 4016.1183 20393.8820 14470.8577 261.1772 -203783.7655 2983.1298 0.0000 0.0000 51970.0769 -109688.5237 298.6727 -161658.6005 -109324.4729 298.9038 184.5798 217.7652 761849.8737 18.0205 17.9943 PRESSURE: 3488200 -153.174 -80.5292 7.21033 -80.528 143.037 31.7125 7.21012 31.7123 209.433 GPRESSURE: 3488200 -98.8451 127.045 -116.319 -147.673 124.887 85.9876 -123.937 110.398 251.933 PRESSAVG: 3488200 -40.2645 -8.5873 -12.7665 -8.58724 38.4632 -0.592689 -12.7666 -0.592624 4.64599 GPRESSAVG: 3488200 -41.5962 -9.12864 -12.5457 -7.33895 39.299 -1.77737 -13.1595 2.70836 4.91924 TIMING: 3488200 CPU: 10898.4, 0.00312248/step Wall: 10898.4, 0.00312248/step, 1.31127 hours remaining, 234.253906 MB of memory in use. ENERGY: 3488200 3904.3243 20517.8822 14347.2383 264.3871 -202582.2599 2252.5175 0.0000 0.0000 51804.5499 -109491.3606 297.7215 -161295.9105 -109127.3701 298.6729 66.4320 92.6583 763727.1081 0.9482 0.8740 LDB: ============= START OF LOAD BALANCING ============== 10910.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10910.8 LDB: =============== DONE WITH MIGRATION ================ 10910.8 LDB: ============= START OF LOAD BALANCING ============== 10911.1 LDB: Largest compute 7077 load 0.028960 is 14.8% of average load 0.195152 LDB: Average compute 0.004400 is 2.3% of average load 0.195152 LDB: TIME 10911.2 LOAD: AVG 0.195152 MAX 0.214089 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.445 MB LDB: TIME 10911.2 LOAD: AVG 0.195152 MAX 0.214089 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.516 MB LDB: TIME 10911.2 LOAD: AVG 0.195152 MAX 0.214089 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.516 MB LDB: ============== END OF LOAD BALANCING =============== 10911.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10911.2 PRESSURE: 3488400 -23.2516 -43.2938 -106.942 -43.294 -38.7355 -22.4584 -106.942 -22.4577 164.468 GPRESSURE: 3488400 177.707 -47.5138 -42.1069 105.069 -121.159 46.8416 -143.518 -114.01 133.367 PRESSAVG: 3488400 -53.5043 38.0927 7.6055 38.0928 79.7819 44.2447 7.60557 44.2446 31.9177 GPRESSAVG: 3488400 -51.6824 38.3017 6.96686 36.3067 78.9616 45.1067 9.76804 44.5685 31.0546 TIMING: 3488400 CPU: 10899, 0.00320434/step Wall: 10899, 0.00320434/step, 1.34546 hours remaining, 233.476562 MB of memory in use. ENERGY: 3488400 4025.1946 20439.7941 14453.7822 265.2457 -203471.0230 2783.0526 0.0000 0.0000 52052.6735 -109451.2803 299.1474 -161503.9538 -109084.4548 298.8153 34.1602 63.3048 761438.8660 19.3984 19.4446 PRESSURE: 3488600 244.639 -14.8286 69.4353 -14.8274 226.804 -55.057 69.4351 -55.0557 -20.3525 GPRESSURE: 3488600 303.974 100.324 107.094 -101.219 221.109 23.9129 -25.1737 44.8178 -5.59279 PRESSAVG: 3488600 11.0974 5.02261 56.4698 5.02261 -21.2367 14.6099 56.4698 14.6098 -31.1068 GPRESSAVG: 3488600 10.1774 6.60678 56.679 5.09411 -19.8565 15.2673 55.0116 15.2788 -30.9546 TIMING: 3488600 CPU: 10899.6, 0.00312013/step Wall: 10899.6, 0.00312013/step, 1.30994 hours remaining, 233.679688 MB of memory in use. ENERGY: 3488600 4005.3194 20530.0495 14409.5259 250.4622 -203698.1910 3055.0130 0.0000 0.0000 52056.4434 -109391.3776 299.1691 -161447.8211 -109037.2990 298.8467 150.3635 173.1636 761879.2008 -13.7487 -13.5446 PRESSURE: 3488800 64.6914 -236.48 247.469 -236.48 2.43542 13.1782 247.47 13.1782 415.874 GPRESSURE: 3488800 90.1902 -141.933 209.631 -116.777 4.11897 -9.39772 280.141 -45.4022 453.243 PRESSAVG: 3488800 7.22139 -38.1718 -3.84637 -38.1718 16.9139 8.48085 -3.84641 8.48084 24.0654 GPRESSAVG: 3488800 7.72007 -39.203 -3.30031 -36.3568 16.1554 7.86684 -4.80024 5.79329 23.8047 TIMING: 3488800 CPU: 10900.2, 0.00311551/step Wall: 10900.2, 0.00311551/step, 1.30782 hours remaining, 233.679688 MB of memory in use. ENERGY: 3488800 4004.6936 20465.1552 14422.3406 264.4219 -203351.4106 2941.4723 0.0000 0.0000 52098.0739 -109155.2532 299.4083 -161253.3271 -108785.8524 299.1775 161.0004 182.5172 762952.2390 16.0669 15.8934 PRESSURE: 3489000 -74.213 -163.621 -23.3147 -163.622 220.084 -14.415 -23.3144 -14.4141 -418.025 GPRESSURE: 3489000 -28.5943 -49.4709 26.9106 -127.248 228.532 -40.5564 -85.9938 5.0084 -374.037 PRESSAVG: 3489000 -37.0575 -23.0367 -8.29949 -23.0367 18.7731 -15.7417 -8.29946 -15.7416 9.60258 GPRESSAVG: 3489000 -37.8955 -24.6978 -9.23185 -23.7364 19.5566 -16.1295 -6.10309 -14.1603 9.9455 TIMING: 3489000 CPU: 10900.9, 0.0031306/step Wall: 10900.9, 0.0031306/step, 1.31398 hours remaining, 233.679688 MB of memory in use. ENERGY: 3489000 4013.9700 20487.6284 14519.9396 272.1333 -203350.2510 2741.7161 0.0000 0.0000 52141.3904 -109173.4732 299.6573 -161314.8636 -108819.2183 299.6953 -90.7180 -58.0332 761898.0444 -2.8939 -2.7978 PRESSURE: 3489200 -55.7017 -221.578 73.2931 -221.578 329.927 44.5215 73.2925 44.5209 -134.254 GPRESSURE: 3489200 -29.96 -150.634 80.0712 -265.479 353.834 36.4032 26.6687 19.0093 -111.637 PRESSAVG: 3489200 -37.4198 -49.2739 -2.62804 -49.2739 13.7392 31.1843 -2.628 31.1843 2.98139 GPRESSAVG: 3489200 -37.8077 -48.2879 -0.16836 -49.9547 14.4169 32.4384 -4.89414 28.8966 3.04684 TIMING: 3489200 CPU: 10901.5, 0.00312033/step Wall: 10901.5, 0.00312033/step, 1.3095 hours remaining, 233.679688 MB of memory in use. ENERGY: 3489200 4055.2644 20516.8813 14472.6432 253.0243 -203343.3230 2838.4446 0.0000 0.0000 52140.3831 -109066.6823 299.6515 -161207.0653 -108707.2838 299.3340 46.6568 70.7456 762331.3003 -6.8998 -6.7813 PRESSURE: 3489400 -263.352 -60.3199 91.6488 -60.3195 -299.79 177.239 91.6484 177.24 -336.524 GPRESSURE: 3489400 -243.675 44.8427 162.45 -39.9123 -252.828 239.617 65.1916 105.111 -297.619 PRESSAVG: 3489400 7.98047 -60.4218 39.9925 -60.4218 -23.0903 47.112 39.9926 47.1121 -16.4933 GPRESSAVG: 3489400 9.47128 -61.3006 37.2488 -60.4625 -24.0182 46.9792 39.5515 50.0786 -16.7182 TIMING: 3489400 CPU: 10902.1, 0.0031121/step Wall: 10902.1, 0.0031121/step, 1.30587 hours remaining, 233.679688 MB of memory in use. ENERGY: 3489400 3922.9562 20453.1062 14487.0409 234.4212 -202859.8918 2450.6770 0.0000 0.0000 52311.9786 -108999.7116 300.6377 -161311.6902 -108640.5905 299.2693 -299.8886 -264.7074 763201.4152 -10.5344 -10.4217 PRESSURE: 3489600 3.96768 13.0533 -173.635 13.0533 -153.703 -46.9321 -173.635 -46.9318 362.728 GPRESSURE: 3489600 86.1255 -8.81621 -158.13 88.4355 -103.257 18.98 -238.29 -101.302 341.715 PRESSAVG: 3489600 -57.38 -13.5929 72.1358 -13.5928 22.4849 -28.1354 72.1359 -28.1355 21.582 GPRESSAVG: 3489600 -58.6793 -13.3774 73.6735 -13.2022 23.9933 -27.5196 74.7136 -29.755 21.5326 TIMING: 3489600 CPU: 10902.7, 0.0031259/step Wall: 10902.7, 0.0031259/step, 1.31149 hours remaining, 233.679688 MB of memory in use. ENERGY: 3489600 3980.4695 20595.5857 14444.0211 262.5036 -203206.8889 2812.6383 0.0000 0.0000 52077.4237 -109034.2470 299.2897 -161111.6707 -108665.2125 299.9755 70.9976 108.1944 762967.9337 -4.4377 -4.3845 PRESSURE: 3489800 -100.188 -9.28084 123.972 -9.28107 197.885 89.5596 123.972 89.5609 -12.5592 GPRESSURE: 3489800 -110.188 -69.8844 162.394 116.573 279.446 46.9519 5.84104 76.6575 1.98581 PRESSAVG: 3489800 -44.2251 -63.6231 3.35908 -63.6232 49.1596 -12.6725 3.35917 -12.6726 -17.4611 GPRESSAVG: 3489800 -42.935 -63.6523 3.32135 -64.6155 46.0295 -14.6201 2.29689 -12.5262 -15.8793 TIMING: 3489800 CPU: 10903.4, 0.00311526/step Wall: 10903.4, 0.00311526/step, 1.30685 hours remaining, 233.679688 MB of memory in use. ENERGY: 3489800 4013.2738 20475.9662 14513.8299 236.8759 -203280.2323 2839.5421 0.0000 0.0000 52119.3120 -109081.4326 299.5304 -161200.7445 -108714.9335 299.8612 28.3792 57.0812 760897.6280 -4.1755 -4.2616 PRESSURE: 3490000 -80.5595 -114.563 203.696 -114.564 74.6617 95.8636 203.695 95.8636 123.092 GPRESSURE: 3490000 -52.2279 -97.8909 170.862 -86.6858 90.7258 208.537 148.895 221.032 149.02 PRESSAVG: 3490000 -2.5379 -17.0786 34.3902 -17.0786 -2.31694 48.2824 34.3902 48.2824 8.88525 GPRESSAVG: 3490000 -3.57217 -17.3403 34.3077 -16.7732 1.48982 49.682 33.3761 47.7843 6.37497 TIMING: 3490000 CPU: 10904, 0.00310626/step Wall: 10904, 0.00310626/step, 1.3029 hours remaining, 233.679688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3490000 4034.1730 20527.4161 14396.9466 233.7839 -203210.5153 2759.9151 0.0000 0.0000 52218.5537 -109039.7271 300.1007 -161258.2807 -108680.5862 300.0929 39.0646 62.5060 762527.1161 1.3435 1.4309 PRESSURE: 3490200 279.35 -4.3678 -150.213 -4.36817 -159.807 29.4586 -150.212 29.4588 -87.7279 GPRESSURE: 3490200 270.858 -36.0472 -80.8723 17.352 -113.333 81.1431 -147.081 92.1963 -52.8582 PRESSAVG: 3490200 14.8209 -17.7804 -19.3023 -17.7804 9.0959 -14.5982 -19.3023 -14.5982 -18.8509 GPRESSAVG: 3490200 15.5084 -18.5337 -19.943 -19.6819 7.10638 -16.1302 -16.5346 -13.9266 -17.3693 TIMING: 3490200 CPU: 10904.6, 0.0031155/step Wall: 10904.6, 0.0031155/step, 1.30661 hours remaining, 233.679688 MB of memory in use. ENERGY: 3490200 3932.2549 20335.3441 14470.5629 255.4628 -202847.8494 2558.9311 0.0000 0.0000 52264.8488 -109030.4449 300.3668 -161295.2936 -108662.8997 299.7747 10.6051 34.8891 763151.2955 1.6886 1.7485 PRESSURE: 3490400 -66.662 -85.8486 30.8697 -85.8502 -55.3189 -170.532 30.8695 -170.533 -87.0137 GPRESSURE: 3490400 -43.4683 -132.477 30.389 -50.5952 76.1663 -155.045 25.1653 -148.314 -168.697 PRESSAVG: 3490400 -30.0628 -9.91999 1.05605 -9.92005 66.785 1.07465 1.05598 1.07461 -3.04398 GPRESSAVG: 3490400 -30.6692 -10.1875 1.14936 -8.76806 67.2575 1.6657 0.203473 1.87302 -2.81596 TIMING: 3490400 CPU: 10905.2, 0.0031222/step Wall: 10905.2, 0.0031222/step, 1.30924 hours remaining, 233.679688 MB of memory in use. ENERGY: 3490400 4017.0028 20256.3213 14480.6737 247.6682 -203045.0136 2785.1858 0.0000 0.0000 51988.4410 -109269.7205 298.7783 -161258.1616 -108911.5416 298.9870 -69.6649 -45.3331 765066.7094 11.2261 11.2574 PRESSURE: 3490600 -64.9347 -37.9498 -95.2471 -37.9484 91.7817 -141.657 -95.2477 -141.656 -5.28209 GPRESSURE: 3490600 58.3764 -37.3055 -132.246 136.952 45.0738 -158.263 -217.429 -17.2539 -19.9521 PRESSAVG: 3490600 24.7347 -75.6271 -12.673 -75.6271 -19.6464 -5.70912 -12.6729 -5.70912 -18.9119 GPRESSAVG: 3490600 24.8132 -76.2187 -12.6226 -71.5312 -19.1431 -5.45513 -13.3362 -6.51086 -19.8817 TIMING: 3490600 CPU: 10905.9, 0.0031137/step Wall: 10905.9, 0.0031137/step, 1.30551 hours remaining, 233.679688 MB of memory in use. ENERGY: 3490600 3998.9563 20499.6644 14477.7404 229.8021 -203389.5696 2829.8966 0.0000 0.0000 52101.0550 -109252.4548 299.4255 -161353.5098 -108895.4803 298.7253 7.1883 27.8327 762016.9400 -4.6079 -4.7372 PRESSURE: 3490800 -27.5362 63.9492 48.366 63.9482 -164.717 164.945 48.367 164.943 138.424 GPRESSURE: 3490800 20.5541 -53.0393 83.1863 34.7012 -76.9093 164.096 47.5797 125.044 107.615 PRESSAVG: 3490800 35.8817 -30.4805 32.4482 -30.4805 -18.9813 33.5622 32.4483 33.5623 16.7329 GPRESSAVG: 3490800 35.2465 -31.0529 33.7805 -33.6605 -18.0373 34.3258 30.4394 34.125 16.3823 TIMING: 3490800 CPU: 10906.5, 0.00312362/step Wall: 10906.5, 0.00312362/step, 1.30949 hours remaining, 233.679688 MB of memory in use. ENERGY: 3490800 3959.8158 20538.3828 14389.4467 234.9822 -203251.7057 2916.9429 0.0000 0.0000 51919.5413 -109292.5940 298.3823 -161212.1353 -108931.2931 299.2397 -17.9432 17.0865 763328.7374 11.2111 11.1972 PRESSURE: 3491000 74.707 183.336 -1.12161 183.336 488.145 62.5245 -1.12165 62.5251 -393.786 GPRESSURE: 3491000 124.032 123.853 38.3343 96.6405 465.908 73.6357 106.945 119.743 -333.648 PRESSAVG: 3491000 -41.2526 6.0384 -32.1271 6.03842 -8.52161 -13.0534 -32.1271 -13.0534 -23.6098 GPRESSAVG: 3491000 -40.4183 7.59704 -33.1882 4.54834 -10.5223 -13.9487 -32.2692 -13.712 -22.8068 TIMING: 3491000 CPU: 10907.1, 0.0031202/step Wall: 10907.1, 0.0031202/step, 1.30788 hours remaining, 233.679688 MB of memory in use. ENERGY: 3491000 3986.6819 20494.7467 14424.5771 243.4855 -203156.6863 2652.6688 0.0000 0.0000 52348.4585 -109006.0678 300.8473 -161354.5264 -108642.9074 298.8131 56.3554 85.4306 762658.0214 -24.4613 -24.5825 PRESSURE: 3491200 -97.3783 125.238 109.716 125.238 45.9524 95.7325 109.716 95.731 -290.444 GPRESSURE: 3491200 -7.28535 104.665 69.1473 98.3224 -17.2625 41.9026 124.073 174.679 -242.569 PRESSAVG: 3491200 -21.501 39.2245 14.7132 39.2245 29.3083 -23.8664 14.7132 -23.8664 3.89822 GPRESSAVG: 3491200 -20.247 40.0386 15.1059 41.6303 29.6589 -24.4461 14.0671 -23.4573 2.90372 TIMING: 3491200 CPU: 10907.7, 0.00311769/step Wall: 10907.7, 0.00311769/step, 1.30666 hours remaining, 233.679688 MB of memory in use. ENERGY: 3491200 3974.7116 20422.0295 14487.7203 248.0438 -203163.1933 2634.3077 0.0000 0.0000 52163.8942 -109232.4861 299.7866 -161396.3804 -108873.4508 299.1465 -113.9565 -89.0391 763272.9341 3.9018 4.1052 PRESSURE: 3491400 -147.831 -11.8535 118.34 -11.854 178.421 -95.8729 118.341 -95.8733 19.7696 GPRESSURE: 3491400 -209.865 14.811 157.373 19.8798 251.595 -141.566 64.5579 -13.8205 92.431 PRESSAVG: 3491400 9.52278 -33.6426 3.47969 -33.6426 13.3564 7.58402 3.47967 7.58409 3.10619 GPRESSAVG: 3491400 8.73151 -34.3101 3.15672 -34.3199 12.8207 8.02914 5.10353 7.36652 3.97103 TIMING: 3491400 CPU: 10908.4, 0.0031358/step Wall: 10908.4, 0.0031358/step, 1.31407 hours remaining, 233.679688 MB of memory in use. ENERGY: 3491400 4073.0084 20700.0323 14422.2656 254.2623 -203115.1848 2420.7369 0.0000 0.0000 52203.1672 -109041.7122 300.0123 -161244.8794 -108690.7762 299.4785 16.7867 44.7202 761715.8577 8.6618 8.5077 PRESSURE: 3491600 105.193 49.3697 220.62 49.3709 249.521 -116.643 220.621 -116.643 -152.285 GPRESSURE: 3491600 199.103 -56.2369 217.913 58.7854 182.132 -154.462 256.949 -179.897 -97.0297 PRESSAVG: 3491600 2.69097 -12.8679 1.67241 -12.8678 6.09464 -17.1172 1.67237 -17.1172 0.95574 GPRESSAVG: 3491600 3.19031 -12.3842 1.85393 -13.328 6.09498 -16.6767 2.35655 -17.6474 0.385884 TIMING: 3491600 CPU: 10909, 0.00311145/step Wall: 10909, 0.00311145/step, 1.3037 hours remaining, 233.679688 MB of memory in use. ENERGY: 3491600 4011.9537 20560.4298 14484.1641 250.7009 -203110.2579 2708.0953 0.0000 0.0000 51967.4234 -109127.4907 298.6575 -161094.9141 -108767.8848 299.8273 67.4765 94.7349 761083.5235 3.2471 3.2237 PRESSURE: 3491800 -191.399 -85.8996 -179.116 -85.8998 -51.9993 -102.801 -179.117 -102.801 -77.5863 GPRESSURE: 3491800 -134.511 -225.298 -192.328 -145.885 -109.897 -115.774 -221.175 -7.30988 -15.8441 PRESSAVG: 3491800 48.2704 -41.5433 -9.82713 -41.5433 9.30361 -28.5252 -9.82713 -28.5252 -3.61454 GPRESSAVG: 3491800 47.9231 -42.7686 -11.5665 -42.7367 8.80944 -27.9634 -10.5914 -26.5398 -3.0282 TIMING: 3491800 CPU: 10909.6, 0.00312531/step Wall: 10909.6, 0.00312531/step, 1.30933 hours remaining, 233.679688 MB of memory in use. ENERGY: 3491800 3901.5986 20572.0061 14572.4892 249.1572 -202899.2519 2349.7456 0.0000 0.0000 52059.0630 -109195.1921 299.1842 -161254.2551 -108839.1254 299.8274 -106.9948 -86.7506 763119.2938 17.9865 17.9014 PRESSURE: 3492000 -439.106 10.1785 -20.0414 10.1776 -233.061 38.9498 -20.0418 38.9495 151.624 GPRESSURE: 3492000 -371.672 -35.4657 -16.0702 -30.7249 -142.651 109.759 138.708 -112.624 88.6998 PRESSAVG: 3492000 -14.6546 -16.0212 20.3544 -16.0212 -25.1035 16.7849 20.3543 16.7849 -4.61408 GPRESSAVG: 3492000 -16.083 -14.4622 21.183 -16.4408 -23.4633 15.1913 18.9526 15.0612 -5.11466 TIMING: 3492000 CPU: 10910.2, 0.00313313/step Wall: 10910.2, 0.00313313/step, 1.31243 hours remaining, 233.679688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3492000 3920.9647 20475.0823 14444.4034 250.0013 -203040.9189 2537.8193 0.0000 0.0000 51931.1998 -109481.4483 298.4493 -161412.6480 -109125.9588 298.5880 -173.5146 -141.8745 762146.5404 -14.7907 -14.8870 PRESSURE: 3492200 -38.6014 17.1861 -116.343 17.186 142.577 28.3821 -116.343 28.3819 -219.745 GPRESSURE: 3492200 -98.3032 -17.708 -130.374 -17.9001 212.327 7.85257 -154.71 163.225 -138.902 PRESSAVG: 3492200 -56.6152 -23.8668 7.7668 -23.8668 83.859 19.0627 7.76688 19.0627 18.9832 GPRESSAVG: 3492200 -56.102 -25.8791 7.27958 -22.7711 83.1489 20.6436 10.7427 19.4003 19.4446 TIMING: 3492200 CPU: 10910.9, 0.003143/step Wall: 10910.9, 0.003143/step, 1.31639 hours remaining, 233.679688 MB of memory in use. ENERGY: 3492200 3936.7651 20475.9960 14470.5339 249.8448 -202682.7207 2577.2940 0.0000 0.0000 51689.1056 -109283.1813 297.0580 -160972.2869 -108924.7309 298.4113 -38.5898 -8.2929 763293.0558 15.4090 15.4972 LDB: ============= START OF LOAD BALANCING ============== 10923.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10923.3 LDB: =============== DONE WITH MIGRATION ================ 10923.3 LDB: ============= START OF LOAD BALANCING ============== 10923.6 LDB: Largest compute 7077 load 0.031306 is 16.0% of average load 0.195142 LDB: Average compute 0.004402 is 2.3% of average load 0.195142 LDB: TIME 10923.7 LOAD: AVG 0.195142 MAX 0.214102 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.527 MB LDB: TIME 10923.7 LOAD: AVG 0.195142 MAX 0.214102 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.73 MB LDB: TIME 10923.7 LOAD: AVG 0.195142 MAX 0.214102 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.73 MB LDB: ============== END OF LOAD BALANCING =============== 10923.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10923.7 PRESSURE: 3492400 -180.037 15.5352 -203.363 15.5345 211.816 -173.416 -203.363 -173.415 -229.98 GPRESSURE: 3492400 -110.461 -43.8085 -165.824 -0.713801 154.737 -98.808 -132.902 -158.005 -150.043 PRESSAVG: 3492400 -72.4957 -58.3351 -11.2626 -58.3351 71.9436 -24.2058 -11.2626 -24.2058 -10.1148 GPRESSAVG: 3492400 -71.788 -58.2073 -11.5738 -56.1077 71.4959 -26.3509 -11.2689 -23.6535 -10.691 TIMING: 3492400 CPU: 10911.5, 0.0031981/step Wall: 10911.5, 0.0031981/step, 1.33929 hours remaining, 234.742188 MB of memory in use. ENERGY: 3492400 4010.2180 20299.6490 14502.8543 250.0773 -202978.5950 2668.8312 0.0000 0.0000 52037.8037 -109209.1614 299.0620 -161246.9651 -108850.6648 298.3918 -66.0670 -35.2556 764589.6533 -3.5556 -3.6610 PRESSURE: 3492600 157.336 43.7784 -58.6413 43.778 174.868 -46.4698 -58.6416 -46.4692 287.73 GPRESSURE: 3492600 207.377 -13.4326 -135.701 141.944 201.011 45.0604 -131.065 3.84913 295.723 PRESSAVG: 3492600 -27.2189 -16.1653 -4.29144 -16.1654 74.4775 -8.36276 -4.29139 -8.36273 -1.60913 GPRESSAVG: 3492600 -26.9199 -14.6094 -2.36027 -16.0359 73.5747 -6.13009 -5.31762 -8.73626 -1.77866 TIMING: 3492600 CPU: 10912.1, 0.00311124/step Wall: 10912.1, 0.00311124/step, 1.30275 hours remaining, 234.945312 MB of memory in use. ENERGY: 3492600 3968.1691 20353.3474 14454.6326 238.0429 -203359.5995 2986.8774 0.0000 0.0000 51993.6815 -109364.8488 298.8084 -161358.5302 -108996.7509 298.4371 206.6449 234.7033 762988.0698 15.2165 14.9587 PRESSURE: 3492800 -22.1545 -22.2908 -94.1384 -22.2909 386.656 52.4313 -94.1372 52.4313 387.525 GPRESSURE: 3492800 24.0247 -87.1387 -147.281 -30.292 409.49 -31.729 -29.3033 -33.8505 388.725 PRESSAVG: 3492800 -42.9494 64.0874 -54.7523 64.0874 72.8122 31.5745 -54.7523 31.5745 1.78542 GPRESSAVG: 3492800 -43.6486 62.7635 -56.3673 63.0501 72.9934 29.963 -55.2669 30.6168 2.25384 TIMING: 3492800 CPU: 10912.7, 0.00314349/step Wall: 10912.7, 0.00314349/step, 1.31607 hours remaining, 234.945312 MB of memory in use. ENERGY: 3492800 3946.0251 20721.2636 14401.5149 245.6135 -203521.7537 3062.6378 0.0000 0.0000 51874.5845 -109270.1141 298.1240 -161144.6987 -108907.7539 298.8420 250.6758 274.0802 761524.1171 10.5494 10.5329 PRESSURE: 3493000 161.03 160.108 117.896 160.108 15.1063 -190.557 117.896 -190.557 -165.765 GPRESSURE: 3493000 114.596 109.273 53.0014 117.231 104.477 -149.943 67.4116 -179.499 -138.244 PRESSAVG: 3493000 -13.1017 -18.0926 -1.18024 -18.0926 35.9648 -27.4804 -1.18023 -27.4803 -0.672022 GPRESSAVG: 3493000 -13.0678 -17.5745 0.111341 -18.6533 37.6147 -26.2956 -0.121818 -26.7432 -2.31841 TIMING: 3493000 CPU: 10913.4, 0.00311704/step Wall: 10913.4, 0.00311704/step, 1.30483 hours remaining, 234.945312 MB of memory in use. ENERGY: 3493000 3954.7932 20470.3290 14442.8988 246.3069 -203298.6558 2757.6110 0.0000 0.0000 52144.7151 -109282.0018 299.6764 -161426.7169 -108918.2338 298.9641 3.4570 26.9430 762330.8105 7.3971 7.4095 PRESSURE: 3493200 207.789 -90.5796 -28.2165 -90.5803 390.576 115.145 -28.2165 115.145 64.68 GPRESSURE: 3493200 218.746 -150.66 3.88806 -75.7226 420.796 74.8995 69.043 131.203 103.069 PRESSAVG: 3493200 -11.5052 -30.0181 23.5336 -30.0182 24.3386 20.469 23.5336 20.469 -1.82815 GPRESSAVG: 3493200 -12.9045 -32.1486 23.7532 -29.6991 24.0699 18.0752 22.1519 21.8915 -0.538866 TIMING: 3493200 CPU: 10914, 0.00311151/step Wall: 10914, 0.00311151/step, 1.30234 hours remaining, 234.945312 MB of memory in use. ENERGY: 3493200 3916.6318 20613.9756 14496.0569 260.1299 -202932.5176 2733.2137 0.0000 0.0000 51821.2993 -109091.2105 297.8177 -160912.5098 -108737.6289 299.2638 221.0150 247.5370 763030.5583 3.6684 3.5421 PRESSURE: 3493400 -315.984 -27.3807 9.08079 -27.3801 46.8125 42.0965 9.0812 42.097 8.35407 GPRESSURE: 3493400 -162.066 -75.63 18.7041 -83.706 -41.4009 38.9912 -34.134 -88.876 26.3621 PRESSAVG: 3493400 -33.5632 -12.7896 -8.31028 -12.7896 9.58783 48.8002 -8.31023 48.8002 9.09643 GPRESSAVG: 3493400 -33.1401 -7.93609 -8.8273 -13.8138 9.43343 50.7619 -5.87906 45.9488 8.39884 TIMING: 3493400 CPU: 10914.6, 0.0031203/step Wall: 10914.6, 0.0031203/step, 1.30585 hours remaining, 234.945312 MB of memory in use. ENERGY: 3493400 3953.7261 20361.5002 14424.2178 252.2667 -202927.4342 2562.2127 0.0000 0.0000 52119.6666 -109253.8440 299.5324 -161373.5106 -108891.1166 299.2572 -86.9391 -59.0349 763106.0120 -4.9597 -5.1026 PRESSURE: 3493600 27.6107 -8.83481 25.7008 -8.83521 -16.5773 51.8373 25.7004 51.8362 93.961 GPRESSURE: 3493600 35.605 5.71846 25.2615 67.0217 41.5209 6.17196 -63.4378 56.727 109.205 PRESSAVG: 3493600 -81.8093 7.26506 -9.53825 7.26501 53.4362 11.2457 -9.53828 11.2457 30.2762 GPRESSAVG: 3493600 -81.9651 3.64052 -12.0771 8.54389 52.8151 10.8965 -11.1456 12.6083 30.7325 TIMING: 3493600 CPU: 10915.2, 0.00311278/step Wall: 10915.2, 0.00311278/step, 1.30252 hours remaining, 234.945312 MB of memory in use. ENERGY: 3493600 3917.6061 20562.7837 14436.1656 247.0079 -203485.6495 2929.2406 0.0000 0.0000 52253.5962 -109139.2494 300.3021 -161392.8456 -108769.9503 299.5117 34.9982 62.1101 762747.1860 0.6344 0.5275 PRESSURE: 3493800 201.494 56.7267 36.9803 56.7276 142.328 37.4168 36.9794 37.4167 -15.7872 GPRESSURE: 3493800 172.164 83.9799 14.033 25.7661 189.728 14.4296 182.719 -68.598 25.919 PRESSAVG: 3493800 -40.2581 -71.5983 36.5235 -71.5984 50.4165 26.0994 36.5234 26.0995 2.65654 GPRESSAVG: 3493800 -40.4101 -70.3966 38.0199 -71.9432 49.7105 26.0829 35.0395 23.467 3.28045 TIMING: 3493800 CPU: 10915.9, 0.00310941/step Wall: 10915.9, 0.00310941/step, 1.30094 hours remaining, 234.945312 MB of memory in use. ENERGY: 3493800 3987.5033 20499.9975 14507.6312 255.1049 -203809.8418 3291.2699 0.0000 0.0000 52164.3651 -109103.9700 299.7893 -161268.3351 -108743.5553 299.4515 109.3449 129.2703 762561.0287 4.2717 4.1936 PRESSURE: 3494000 -174.682 -16.6628 -7.82534 -16.6623 -85.0508 1.0579 -7.82516 1.05727 -274.411 GPRESSURE: 3494000 -117.647 -45.4621 -4.90022 108.365 -74.7902 9.68695 -58.5664 22.9292 -239.41 PRESSAVG: 3494000 -34.0964 -67.2383 21.2488 -67.2384 2.50301 -12.0301 21.2488 -12.0302 -22.1454 GPRESSAVG: 3494000 -34.5214 -66.4681 20.4457 -66.8359 3.40695 -12.2704 21.3017 -10.4675 -22.7321 TIMING: 3494000 CPU: 10916.5, 0.00311084/step Wall: 10916.5, 0.00311084/step, 1.30137 hours remaining, 234.945312 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: 3494000 3969.0057 20486.9406 14473.7701 247.4773 -203253.2557 2652.7535 0.0000 0.0000 52183.2704 -109240.0382 299.8980 -161423.3085 -108866.8507 299.3161 -178.0480 -143.9492 763028.7016 -17.9129 -17.9488 PRESSURE: 3494200 255.931 -81.0526 -58.5601 -81.0526 -430.606 32.2595 -58.5603 32.2577 165.284 GPRESSURE: 3494200 304.644 -29.6812 10.4517 -10.4927 -379.293 38.1871 13.7819 65.7589 151.331 PRESSAVG: 3494200 -13.9073 -63.0636 7.07414 -63.0636 -8.54042 -63.4803 7.07417 -63.4803 6.66664 GPRESSAVG: 3494200 -13.1751 -62.369 7.95125 -64.6754 -9.90358 -62.7424 7.40005 -63.5203 6.30725 TIMING: 3494200 CPU: 10917.1, 0.00312635/step Wall: 10917.1, 0.00312635/step, 1.30768 hours remaining, 234.945312 MB of memory in use. ENERGY: 3494200 3963.8450 20730.4968 14538.4269 248.7112 -203685.0467 3021.9329 0.0000 0.0000 52051.7755 -109129.8583 299.1423 -161181.6338 -108777.2790 299.1397 -3.1303 25.5607 763745.8656 -5.2604 -5.5905 PRESSURE: 3494400 -88.4245 -143.502 -222.254 -143.502 -138.294 32.3372 -222.254 32.3379 -95.8548 GPRESSURE: 3494400 -121.765 -136.642 -218.819 -149.804 -106.483 116.036 -194.628 -6.919 -30.3596 PRESSAVG: 3494400 -30.3345 -60.0515 -53.3714 -60.0516 8.5331 -46.478 -53.3714 -46.478 -16.8291 GPRESSAVG: 3494400 -29.6832 -58.9404 -53.745 -59.7288 8.2853 -46.7324 -50.9818 -49.4328 -16.6745 TIMING: 3494400 CPU: 10917.7, 0.00314888/step Wall: 10917.7, 0.00314888/step, 1.31693 hours remaining, 234.945312 MB of memory in use. ENERGY: 3494400 3997.0108 20640.7903 14487.4454 250.3704 -203513.9348 3064.7529 0.0000 0.0000 52057.3375 -109016.2275 299.1742 -161073.5650 -108654.0751 299.3059 -107.5244 -86.2026 763269.8648 -12.8768 -12.6908 PRESSURE: 3494600 -382.926 -55.1581 150.936 -55.1579 -226.597 208.111 150.936 208.111 -187.337 GPRESSURE: 3494600 -344.505 -58.8953 95.6104 -7.51187 -124.367 222.841 161.976 0.425714 -228.521 PRESSAVG: 3494600 -22.0241 -63.825 22.8844 -63.825 -3.92027 0.621117 22.8844 0.621159 22.8782 GPRESSAVG: 3494600 -22.4326 -66.7149 22.4038 -63.0341 -3.20673 0.218014 21.2738 0.599224 21.8204 TIMING: 3494600 CPU: 10918.4, 0.00312815/step Wall: 10918.4, 0.00312815/step, 1.30809 hours remaining, 234.945312 MB of memory in use. ENERGY: 3494600 3932.2439 20628.4142 14437.9702 262.0782 -203138.2410 2806.5474 0.0000 0.0000 51992.5915 -109078.3956 298.8021 -161070.9870 -108719.0586 299.4558 -265.6200 -232.4642 763491.5254 -1.0221 -1.2730 PRESSURE: 3494800 -244.947 -43.342 144.944 -43.342 -194.772 289.922 144.945 289.924 -223.107 GPRESSURE: 3494800 -242.96 38.5219 174.016 -62.6815 -137.353 302.286 145.895 214.711 -193.091 PRESSAVG: 3494800 -4.34271 -67.5265 -12.4746 -67.5265 43.0798 15.8784 -12.4746 15.8784 8.06504 GPRESSAVG: 3494800 -4.53857 -65.34 -13.122 -67.0141 42.0703 15.3337 -10.9618 19.0939 9.08304 TIMING: 3494800 CPU: 10919, 0.00313173/step Wall: 10919, 0.00313173/step, 1.30941 hours remaining, 234.945312 MB of memory in use. ENERGY: 3494800 4000.9884 20491.6082 14489.0614 248.0317 -202983.6623 2432.7621 0.0000 0.0000 52265.6999 -109055.5106 300.3717 -161321.2105 -108682.3350 299.5760 -220.9417 -191.1346 762363.6450 15.6007 15.5383 PRESSURE: 3495000 -105.335 -50.8973 -120.306 -50.8971 148.515 27.5559 -120.305 27.5551 499.172 GPRESSURE: 3495000 -17.7861 -185.438 -117.674 -176.484 235.614 51.555 -220.95 -56.5421 422.524 PRESSAVG: 3495000 -54.8842 -59.3577 2.33152 -59.3577 27.0864 -19.256 2.3316 -19.2559 -17.6668 GPRESSAVG: 3495000 -55.6239 -61.9115 2.43427 -59.9067 27.6771 -18.9915 3.70406 -21.6486 -17.4425 TIMING: 3495000 CPU: 10919.6, 0.00312627/step Wall: 10919.6, 0.00312627/step, 1.30696 hours remaining, 234.945312 MB of memory in use. ENERGY: 3495000 3918.6325 20660.6988 14400.9162 235.6662 -203033.0202 2641.1445 0.0000 0.0000 51997.5188 -109178.4432 298.8305 -161175.9620 -108802.1810 299.9782 180.7841 213.4508 761871.1555 -15.1549 -15.1298 PRESSURE: 3495200 -327.519 -252.367 50.2617 -252.366 -209.852 202.747 50.2621 202.746 -154.221 GPRESSURE: 3495200 -295.295 -144.127 112.733 -286.435 -171.922 179.187 -67.7995 219.773 -148.044 PRESSAVG: 3495200 -41.0545 -85.1172 -60.4951 -85.1172 90.1021 -23.2842 -60.4952 -23.2842 28.169 GPRESSAVG: 3495200 -39.8987 -85.1576 -58.8871 -84.4477 90.3709 -22.9089 -64.1061 -23.2081 26.8658 TIMING: 3495200 CPU: 10920.2, 0.00312744/step Wall: 10920.2, 0.00312744/step, 1.30727 hours remaining, 234.945312 MB of memory in use. ENERGY: 3495200 4022.1233 20471.6913 14459.2723 229.6721 -203018.3389 2369.2189 0.0000 0.0000 52046.9028 -109419.4583 299.1143 -161466.3611 -109051.7594 299.6661 -230.5306 -205.0873 761498.6544 25.7389 25.7793 PRESSURE: 3495400 3.84475 -36.9981 61.8004 -36.9981 232.063 21.4954 61.8005 21.4956 60.4254 GPRESSURE: 3495400 -44.084 -33.4054 5.97946 48.6712 248.586 -42.0329 128.086 -75.5654 179.902 PRESSAVG: 3495400 -106.923 -85.8073 89.3469 -85.8072 81.8038 56.2377 89.3469 56.2377 11.5318 GPRESSAVG: 3495400 -108.433 -82.8205 88.9931 -86.794 81.6305 55.0307 89.7994 56.2971 12.7539 TIMING: 3495400 CPU: 10920.9, 0.00312922/step Wall: 10920.9, 0.00312922/step, 1.30784 hours remaining, 234.945312 MB of memory in use. ENERGY: 3495400 3984.7395 20481.9449 14441.0445 268.3581 -203151.3557 2689.7678 0.0000 0.0000 51801.4287 -109484.0722 297.7035 -161285.5009 -109125.6324 298.5594 98.7779 128.1346 762853.6780 -4.5292 -4.6828 PRESSURE: 3495600 -451.81 102.354 160.555 102.353 -156.513 -48.9206 160.556 -48.92 -241.023 GPRESSURE: 3495600 -227.767 187.652 164.183 24.5392 -232.527 -13.962 237.353 -131.447 -308.863 PRESSAVG: 3495600 -86.1214 -29.3097 19.0011 -29.3097 88.3438 37.5226 19.0011 37.5225 4.34212 GPRESSAVG: 3495600 -86.6968 -30.6254 18.8023 -28.5738 89.663 39.1525 22.0697 37.8282 3.27359 TIMING: 3495600 CPU: 10921.5, 0.00315478/step Wall: 10921.5, 0.00315478/step, 1.31835 hours remaining, 234.945312 MB of memory in use. ENERGY: 3495600 4021.9549 20550.1877 14411.8287 261.6829 -203100.6437 2330.0148 0.0000 0.0000 52175.5626 -109349.4121 299.8537 -161524.9747 -108985.8450 298.9180 -283.1152 -256.3857 763792.2183 2.1882 2.0799 PRESSURE: 3495800 164.782 -50.3306 133.156 -50.3295 -64.6489 142.118 133.157 142.118 -83.0075 GPRESSURE: 3495800 135.945 -113.137 186.204 -43.4977 -34.8955 83.1912 111.17 131.974 -2.33079 PRESSAVG: 3495800 -27.0271 -30.6357 28.2801 -30.6356 22.5322 -29.9111 28.2801 -29.9111 -8.33257 GPRESSAVG: 3495800 -25.0391 -29.6247 30.1813 -30.2434 20.1258 -31.9878 26.1755 -30.7696 -7.57005 TIMING: 3495800 CPU: 10922.1, 0.00313045/step Wall: 10922.1, 0.00313045/step, 1.308 hours remaining, 234.945312 MB of memory in use. ENERGY: 3495800 4015.9124 20610.0954 14426.3173 247.9290 -203603.7072 2849.7256 0.0000 0.0000 52211.5576 -109242.1699 300.0605 -161453.7275 -108879.6954 299.4667 5.7085 32.9063 763923.0603 -4.2758 -4.1611 PRESSURE: 3496000 212.243 -31.4742 -46.8489 -31.4743 322.093 2.38044 -46.8496 2.38034 89.5201 GPRESSURE: 3496000 179.08 -14.057 -12.5143 -125.305 441.205 78.1133 -236.8 115.403 87.5448 PRESSAVG: 3496000 -5.19769 -21.874 23.048 -21.874 49.8663 -1.20271 23.0481 -1.20273 -9.07254 GPRESSAVG: 3496000 -7.1589 -23.3265 22.1689 -23.8188 51.3155 -0.877304 21.8997 0.312388 -8.97362 TIMING: 3496000 CPU: 10922.7, 0.00311118/step Wall: 10922.7, 0.00311118/step, 1.29978 hours remaining, 234.945312 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: 3496000 3993.4436 20731.0299 14438.1817 261.9194 -203490.5857 2872.8414 0.0000 0.0000 51931.7633 -109261.4065 298.4526 -161193.1698 -108904.3162 299.9207 207.9521 235.9431 762627.7294 11.8653 11.7276 PRESSURE: 3496200 57.3578 -92.7638 -27.4379 -92.7638 135.672 97.7626 -27.4371 97.7632 -198.87 GPRESSURE: 3496200 89.4151 -70.9566 -33.9412 -23.4048 120.395 120.098 -8.15896 15.5442 -131.397 PRESSAVG: 3496200 -41.6185 0.857916 9.4763 0.857909 50.9251 30.8079 9.47629 30.8079 11.4381 GPRESSAVG: 3496200 -40.6722 0.974964 9.18464 0.836308 50.1652 31.8662 9.9121 29.3933 11.2962 TIMING: 3496200 CPU: 10923.4, 0.00312249/step Wall: 10923.4, 0.00312249/step, 1.30433 hours remaining, 234.945312 MB of memory in use. ENERGY: 3496200 4063.3783 20448.1939 14371.9981 243.8624 -203154.6186 2760.7702 0.0000 0.0000 52045.7518 -109220.6639 299.1077 -161266.4157 -108861.6049 299.2989 -1.9466 26.1375 763393.2525 6.9149 6.9297 LDB: ============= START OF LOAD BALANCING ============== 10935.8 LDB: ============== END OF LOAD BALANCING =============== 10935.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10935.8 LDB: ============= START OF LOAD BALANCING ============== 10936.2 LDB: Largest compute 7070 load 0.031522 is 16.2% of average load 0.195177 LDB: Average compute 0.004400 is 2.3% of average load 0.195177 LDB: TIME 10936.2 LOAD: AVG 0.195177 MAX 0.21351 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 232.949 MB LDB: TIME 10936.2 LOAD: AVG 0.195177 MAX 0.21351 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.953 MB LDB: TIME 10936.2 LOAD: AVG 0.195177 MAX 0.21351 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.953 MB LDB: ============== END OF LOAD BALANCING =============== 10936.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10936.2 PRESSURE: 3496400 41.7032 -324.713 -91.9834 -324.713 300.846 81.28 -91.9838 81.2798 -68.3026 GPRESSURE: 3496400 83.3176 -333.881 -73.9425 -305.189 356.508 65.9317 6.1592 55.3547 -84.6823 PRESSAVG: 3496400 -28.6423 -23.2403 -16.7497 -23.2403 -14.4185 -24.8026 -16.7497 -24.8026 -23.6385 GPRESSAVG: 3496400 -28.5997 -22.7487 -16.7674 -21.5551 -13.6437 -26.3512 -16.7582 -23.8712 -23.945 TIMING: 3496400 CPU: 10924, 0.0031818/step Wall: 10924, 0.0031818/step, 1.32893 hours remaining, 235.777344 MB of memory in use. ENERGY: 3496400 3972.5357 20563.6678 14395.0599 240.7932 -203163.7332 2676.3507 0.0000 0.0000 51998.4106 -109316.9155 298.8356 -161315.3260 -108944.7008 299.4183 91.4155 118.3813 763340.3330 -22.2331 -22.0628 PRESSURE: 3496600 -125.951 168.606 208.09 168.607 -306.089 244.611 208.09 244.61 -292.932 GPRESSURE: 3496600 -135.399 85.4694 125.012 114.74 -166.825 317.063 140.591 355.788 -312.455 PRESSAVG: 3496600 17.0684 -25.9107 6.74801 -25.9107 4.39756 -1.14722 6.748 -1.14723 7.70463 GPRESSAVG: 3496600 16.9759 -24.386 6.05732 -27.005 4.2478 -0.0498144 7.13814 0.795657 8.09703 TIMING: 3496600 CPU: 10924.6, 0.00313031/step Wall: 10924.6, 0.00313031/step, 1.30725 hours remaining, 235.847656 MB of memory in use. ENERGY: 3496600 4026.8282 20770.7874 14381.4138 276.9261 -203138.4170 2681.2228 0.0000 0.0000 51697.8737 -109303.3650 297.1084 -161001.2387 -108953.7079 299.1010 -241.6573 -204.8929 763634.8247 9.7235 9.7736 PRESSURE: 3496800 291.897 -62.3369 204.515 -62.3376 32.5918 307.073 204.515 307.072 178.138 GPRESSURE: 3496800 309.785 -53.9302 100.84 75.9151 91.0622 323.657 199.32 246.032 196.579 PRESSAVG: 3496800 22.2563 -18.4808 -3.28501 -18.4809 -20.6642 27.9398 -3.28506 27.9398 -9.71519 GPRESSAVG: 3496800 21.6946 -20.1721 -3.82344 -15.6833 -21.8273 24.9149 -2.50617 28.2567 -8.59249 TIMING: 3496800 CPU: 10925.3, 0.00310201/step Wall: 10925.3, 0.00310201/step, 1.29526 hours remaining, 235.847656 MB of memory in use. ENERGY: 3496800 4002.3455 20595.2814 14411.3696 244.2541 -203556.3336 3021.8303 0.0000 0.0000 51952.3475 -109328.9051 298.5709 -161281.2525 -108976.2515 299.4135 167.5422 199.1422 761327.6548 -2.7077 -2.9084 PRESSURE: 3497000 -336.28 1.92619 189.384 1.92646 -330.692 -125.389 189.384 -125.389 -181.192 GPRESSURE: 3497000 -360.3 -81.785 126.521 -88.1303 -263.35 -144.32 206.678 -7.26868 -142.604 PRESSAVG: 3497000 0.599544 -39.2593 -26.2991 -39.2594 29.3037 -1.0253 -26.2991 -1.02529 13.4497 GPRESSAVG: 3497000 1.47237 -39.9401 -24.7378 -39.566 29.6948 0.781564 -27.1229 -1.43676 12.2739 TIMING: 3497000 CPU: 10925.9, 0.00310554/step Wall: 10925.9, 0.00310554/step, 1.29656 hours remaining, 235.847656 MB of memory in use. ENERGY: 3497000 4043.9290 20391.9729 14386.9625 258.2597 -203305.7089 2527.5807 0.0000 0.0000 52238.3915 -109458.6126 300.2148 -161697.0041 -109093.8416 299.0173 -282.7213 -255.4179 761793.9271 14.4510 14.4804 PRESSURE: 3497200 -316.022 50.8379 19.5515 50.838 -85.4027 139.141 19.5512 139.14 -744.401 GPRESSURE: 3497200 -297.748 -9.08597 70.7805 1.08458 -96.8416 124.302 -153.564 20.9658 -676.742 PRESSAVG: 3497200 -27.3296 1.55328 11.1917 1.55323 55.007 21.6297 11.1917 21.6297 -25.0326 GPRESSAVG: 3497200 -28.234 4.59736 10.5898 -0.7165 55.4932 23.7171 11.2611 18.5773 -24.3838 TIMING: 3497200 CPU: 10926.5, 0.00312423/step Wall: 10926.5, 0.00312423/step, 1.30419 hours remaining, 235.847656 MB of memory in use. ENERGY: 3497200 3994.1676 20484.9852 14471.8622 247.6197 -203115.2331 2502.5972 0.0000 0.0000 52037.6732 -109376.3280 299.0612 -161414.0012 -109007.9737 298.8329 -381.9420 -357.1105 762277.4957 0.8816 0.9585 PRESSURE: 3497400 100.678 218.961 -115.419 218.962 399.282 140.467 -115.419 140.467 45.5205 GPRESSURE: 3497400 94.2984 180.673 -103.513 263.926 426.706 171.806 -231.867 215.898 98.3968 PRESSAVG: 3497400 -51.1423 48.0183 -8.86594 48.0183 27.8039 -1.28881 -8.86595 -1.28884 2.82414 GPRESSAVG: 3497400 -49.7957 44.1408 -9.03126 49.8243 26.3475 -2.83767 -9.01369 0.777915 2.90469 TIMING: 3497400 CPU: 10927.1, 0.0031298/step Wall: 10927.1, 0.0031298/step, 1.30634 hours remaining, 235.847656 MB of memory in use. ENERGY: 3497400 3939.5341 20538.0077 14384.4774 250.8442 -203301.3607 2632.2961 0.0000 0.0000 52042.9867 -109513.2146 299.0918 -161556.2013 -109150.0955 298.6240 181.8270 206.4672 763069.8891 -6.8381 -6.8479 PRESSURE: 3497600 -228.749 87.9299 -18.1765 87.9304 -113.05 139.531 -18.1763 139.532 123.015 GPRESSURE: 3497600 -210.628 68.309 -41.393 -49.2589 -87.7556 186.293 -4.65769 80.6141 148.23 PRESSAVG: 3497600 -66.0171 37.6169 22.4273 37.6169 42.9333 -2.30449 22.4272 -2.30443 14.6948 GPRESSAVG: 3497600 -67.1587 39.6352 21.9619 35.8643 44.0003 -4.01828 22.9548 -1.98508 15.2286 TIMING: 3497600 CPU: 10927.7, 0.00311654/step Wall: 10927.7, 0.00311654/step, 1.30064 hours remaining, 235.847656 MB of memory in use. ENERGY: 3497600 3902.0390 20582.7218 14454.6690 234.8353 -202816.9775 2286.4127 0.0000 0.0000 51996.1349 -109360.1647 298.8225 -161356.2997 -108992.0203 298.4756 -72.9281 -50.0512 763333.3432 -2.7964 -2.6433 PRESSURE: 3497800 -311.843 76.683 -17.9381 76.6823 -31.6294 166.869 -17.9379 166.87 -235.268 GPRESSURE: 3497800 -314.409 77.2298 -74.2164 -34.7277 90.9557 60.405 42.5304 248.383 -252.864 PRESSAVG: 3497800 -60.4252 36.1472 -26.2261 36.1472 69.4913 38.6961 -26.2261 38.6961 -15.3547 GPRESSAVG: 3497800 -60.2998 35.6883 -27.3626 36.7923 69.0732 40.3407 -23.191 38.3494 -15.6404 TIMING: 3497800 CPU: 10928.4, 0.00310364/step Wall: 10928.4, 0.00310364/step, 1.29508 hours remaining, 235.847656 MB of memory in use. ENERGY: 3497800 3936.7992 20531.2964 14451.1391 246.7003 -202923.3652 2528.4557 0.0000 0.0000 52117.4776 -109111.4969 299.5199 -161228.9745 -108751.9175 299.1967 -192.9134 -158.7725 760677.4559 -2.0962 -2.2890 PRESSURE: 3498000 -416.882 -51.5309 -128.362 -51.5311 235.618 -115.35 -128.363 -115.351 52.3121 GPRESSURE: 3498000 -326.072 -75.9769 -164.593 -1.16819 125.313 -177.806 -60.7998 9.06313 159.664 PRESSAVG: 3498000 -28.3579 -18.4383 -25.8698 -18.4383 45.087 65.842 -25.8698 65.842 -7.64602 GPRESSAVG: 3498000 -28.4598 -18.0303 -25.1228 -19.4931 45.3822 67.4352 -27.2104 65.6579 -7.76727 TIMING: 3498000 CPU: 10929, 0.00312319/step Wall: 10929, 0.00312319/step, 1.30307 hours remaining, 235.847656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3498000 3997.1826 20373.1755 14374.6846 258.1187 -203154.2542 2742.0223 0.0000 0.0000 52174.7381 -109234.3325 299.8489 -161409.0705 -108870.0583 299.4106 -42.9840 -13.6983 763521.1640 3.0277 3.0517 PRESSURE: 3498200 -51.286 96.3129 123.699 96.313 -73.887 -56.1996 123.699 -56.1987 339.984 GPRESSURE: 3498200 10.3164 37.9846 32.2003 96.9154 -0.445843 -84.8434 115.342 0.842365 289.535 PRESSAVG: 3498200 -23.8773 8.58463 36.2931 8.58459 15.0779 2.51934 36.2932 2.51931 -3.81194 GPRESSAVG: 3498200 -23.002 7.76254 37.8661 9.97212 14.0745 3.94149 35.6376 1.42519 -3.63565 TIMING: 3498200 CPU: 10929.6, 0.0031365/step Wall: 10929.6, 0.0031365/step, 1.30844 hours remaining, 235.847656 MB of memory in use. ENERGY: 3498200 3919.9182 20520.2116 14435.9603 257.0283 -203289.6421 2711.5217 0.0000 0.0000 52173.0970 -109271.9050 299.8395 -161445.0020 -108904.3343 299.4189 71.6035 99.8020 762824.4867 -4.2038 -4.1877 PRESSURE: 3498400 -43.0809 -66.3799 70.7461 -66.3794 -203.445 -119.104 70.7453 -119.103 250.229 GPRESSURE: 3498400 8.36918 -100.071 34.9404 -10.7735 -237.355 -92.7944 155.462 -238.103 332.363 PRESSAVG: 3498400 -8.92822 31.8353 18.1563 31.8353 -26.974 16.1002 18.1563 16.1001 39.8974 GPRESSAVG: 3498400 -9.60244 32.4343 16.8806 31.7105 -27.0234 14.4874 17.9117 15.9095 40.2188 TIMING: 3498400 CPU: 10930.2, 0.00312078/step Wall: 10930.2, 0.00312078/step, 1.30171 hours remaining, 235.847656 MB of memory in use. ENERGY: 3498400 4000.0336 20594.1030 14359.0595 248.7528 -203634.9614 2764.8013 0.0000 0.0000 52133.1664 -109535.0447 299.6100 -161668.2111 -109179.3732 299.4116 1.2343 34.4591 760303.3161 1.3317 1.1977 PRESSURE: 3498600 88.6933 107.168 32.1998 107.169 134.675 51.3166 32.2002 51.3163 -100.935 GPRESSURE: 3498600 103.708 104.819 123.875 68.6871 208.211 128.701 -68.7596 40.4692 -82.1264 PRESSAVG: 3498600 -1.50234 -11.663 0.88897 -11.663 -48.2651 -44.0583 0.88898 -44.0583 -9.43097 GPRESSAVG: 3498600 -1.34533 -11.239 1.17801 -12 -47.2845 -44.9226 1.36936 -42.3586 -10.2683 TIMING: 3498600 CPU: 10930.9, 0.00312184/step Wall: 10930.9, 0.00312185/step, 1.30198 hours remaining, 235.847656 MB of memory in use. ENERGY: 3498600 3992.4836 20468.4502 14348.1145 219.3346 -203608.8542 3017.1730 0.0000 0.0000 51894.0409 -109669.2574 298.2358 -161563.2983 -109318.8178 298.8074 40.8110 76.5976 759892.0310 -19.7328 -19.6327 PRESSURE: 3498800 13.1843 29.2982 186.778 29.298 13.1535 188.983 186.778 188.981 7.89626 GPRESSURE: 3498800 25.0768 112.008 213.511 22.6515 42.9296 147.222 148.312 258.569 49.6399 PRESSAVG: 3498800 13.7277 -24.3566 -11.2545 -24.3566 -32.8983 39.7455 -11.2545 39.7455 -5.96119 GPRESSAVG: 3498800 13.9186 -25.0881 -10.9234 -24.9086 -33.4335 39.0894 -12.3262 40.8945 -5.49054 TIMING: 3498800 CPU: 10931.5, 0.00311816/step Wall: 10931.5, 0.00311816/step, 1.30027 hours remaining, 235.847656 MB of memory in use. ENERGY: 3498800 3936.9523 20518.3454 14436.0603 236.4319 -203348.9361 2654.1623 0.0000 0.0000 51744.7528 -109822.2310 297.3778 -161566.9839 -109452.6083 298.1965 11.4113 39.2154 760475.1206 -8.3773 -8.3351 PRESSURE: 3499000 47.6505 -63.6773 -148.527 -63.677 109.381 242.052 -148.525 242.051 -131.515 GPRESSURE: 3499000 111.605 162.325 -101.933 58.5001 69.0492 180.304 -78.4681 120.49 -57.1588 PRESSAVG: 3499000 7.57469 43.9299 14.2576 43.9299 -42.709 37.7464 14.2576 37.7463 -20.5635 GPRESSAVG: 3499000 6.58368 45.1683 14.2246 45.425 -42.2554 37.9254 14.6754 37.0501 -20.5085 TIMING: 3499000 CPU: 10932.1, 0.0031357/step Wall: 10932.1, 0.0031357/step, 1.30741 hours remaining, 235.847656 MB of memory in use. ENERGY: 3499000 3910.1595 20452.6062 14393.5063 248.9861 -203576.5961 2753.2014 0.0000 0.0000 51913.1352 -109905.0014 298.3455 -161818.1366 -109546.2140 297.6829 8.5055 41.1651 760559.1914 -18.5659 -18.7268 PRESSURE: 3499200 123.686 -129.209 80.4285 -129.208 51.8142 19.35 80.4279 19.3491 -398.119 GPRESSURE: 3499200 114.518 -82.3698 90.5694 -255.56 48.838 -18.5639 -27.7394 138.76 -317.883 PRESSAVG: 3499200 1.5798 -2.3728 32.6209 -2.37286 -11.0562 37.3854 32.6209 37.3854 3.59876 GPRESSAVG: 3499200 1.03993 -3.80163 34.7557 -3.84055 -10.9589 36.9008 31.6912 37.2116 4.08036 TIMING: 3499200 CPU: 10932.7, 0.00312037/step Wall: 10932.7, 0.00312037/step, 1.30085 hours remaining, 235.847656 MB of memory in use. ENERGY: 3499200 4012.5344 20493.4613 14417.8714 247.7489 -203600.1088 2867.3074 0.0000 0.0000 51685.6932 -109875.4921 297.0384 -161561.1854 -109519.0828 297.4684 -74.2064 -51.5091 762521.9763 -1.9592 -1.9462 PRESSURE: 3499400 106.206 285.505 10.591 285.505 -26.9579 6.01367 10.5904 6.01238 157.044 GPRESSURE: 3499400 127.211 156.15 50.9055 333.03 -11.7271 -11.3463 32.494 121.149 198.625 PRESSAVG: 3499400 21.4079 6.63226 12.1019 6.63223 -14.6314 20.7475 12.1018 20.7475 11.5793 GPRESSAVG: 3499400 21.2682 5.81383 10.3294 6.75826 -14.3423 22.3869 13.8546 21.3029 11.0756 TIMING: 3499400 CPU: 10933.4, 0.00312422/step Wall: 10933.4, 0.00312422/step, 1.30228 hours remaining, 235.847656 MB of memory in use. ENERGY: 3499400 3884.1172 20570.7971 14325.9086 253.7329 -203623.7974 2912.1414 0.0000 0.0000 51847.9464 -109829.1539 297.9709 -161677.1003 -109464.9682 298.3734 78.7641 104.7027 763713.4673 6.1186 6.0005 PRESSURE: 3499600 -418.872 -44.1282 -77.6731 -44.1278 -1.73828 -84.804 -77.6725 -84.8038 188.499 GPRESSURE: 3499600 -301.135 -62.4072 -87.565 35.1729 -46.048 -55.503 -190.884 21.5862 195.747 PRESSAVG: 3499600 19.4588 1.31797 91.3262 1.31797 11.2952 19.7521 91.3262 19.7521 -0.870335 GPRESSAVG: 3499600 20.0705 1.4833 92.4277 2.7635 10.5938 19.053 91.1325 21.1362 -0.948827 TIMING: 3499600 CPU: 10934, 0.0031086/step Wall: 10934, 0.0031086/step, 1.2956 hours remaining, 235.847656 MB of memory in use. ENERGY: 3499600 3906.7159 20458.7200 14458.1556 233.3581 -203158.3822 2496.1972 0.0000 0.0000 51700.3092 -109904.9262 297.1224 -161605.2355 -109545.4623 298.1265 -77.3703 -50.4787 764002.4496 9.9612 9.9051 PRESSURE: 3499800 247.41 -132.049 -262.124 -132.048 -37.4012 -4.70158 -262.125 -4.70052 328.409 GPRESSURE: 3499800 361.877 -216.914 -274.753 -257.602 23.9901 -5.22528 -248.39 32.1951 238.359 PRESSAVG: 3499800 45.7088 -38.9059 -1.56776 -38.9058 -29.3399 1.05138 -1.56777 1.05144 15.5588 GPRESSAVG: 3499800 46.924 -37.9935 -3.90168 -38.4241 -29.4285 -0.183483 -1.12732 -0.588276 14.8973 TIMING: 3499800 CPU: 10934.6, 0.00311323/step Wall: 10934.6, 0.00311323/step, 1.29735 hours remaining, 235.847656 MB of memory in use. ENERGY: 3499800 3948.6848 20440.2801 14418.1418 251.8996 -204064.4167 3267.3339 0.0000 0.0000 51922.1570 -109815.9195 298.3973 -161738.0765 -109460.7882 298.0383 179.4728 208.0754 761142.0069 10.6425 10.7976 WRITING COORDINATES TO DCD FILE MD.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 327.737 -27.5749 -288.031 -27.5746 -154.267 -8.03109 -288.031 -8.03179 376.014 GPRESSURE: 3500000 285.922 -9.11178 -285.269 -43.8404 -50.4428 49.2334 -246.165 -63.4096 396.388 PRESSAVG: 3500000 42.5204 -36.3925 -8.62622 -36.3925 17.2846 44.6326 -8.62628 44.6327 -0.292557 GPRESSAVG: 3500000 41.0967 -37.282 -7.31174 -38.4086 17.6738 45.8912 -7.35197 44.6846 0.713626 TIMING: 3500000 CPU: 10935.3, 0.00322714/step Wall: 10935.3, 0.00322714/step, 1.34464 hours remaining, 235.847656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3500000 3906.8746 20701.5759 14437.7905 266.3287 -203798.2074 3112.8686 0.0000 0.0000 51978.3564 -109394.4128 298.7203 -161372.7692 -109045.6732 298.5093 183.1613 210.6226 763632.8288 19.8375 19.8280 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3500000 PRESSURE: 3500200 59.6703 -161.369 -64.9037 -161.369 -378.071 112.653 -64.9037 112.654 80.07 GPRESSURE: 3500200 87.1891 -52.7644 43.2347 -44.0362 -343.333 78.533 65.7195 177.862 97.7342 PRESSAVG: 3500200 20.8188 -36.103 -28.1594 -36.1031 -23.3721 -41.4543 -28.1594 -41.4543 -10.1277 GPRESSAVG: 3500200 21.8487 -34.8378 -26.2039 -35.305 -24.2911 -39.8493 -29.0635 -41.7031 -10.4334 TIMING: 3500200 CPU: 10935.9, 0.00312086/step Wall: 10935.9, 0.00312086/step, 1.30018 hours remaining, 235.847656 MB of memory in use. ENERGY: 3500200 3945.8179 20498.7647 14393.5969 249.3259 -203303.1111 2776.1521 0.0000 0.0000 51837.3882 -109602.0654 297.9102 -161439.4536 -109245.3749 298.4389 -79.4437 -52.8033 764870.6654 -4.2270 -4.2919 LDB: ============= START OF LOAD BALANCING ============== 10948.4 LDB: ============== END OF LOAD BALANCING =============== 10948.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10948.4 LDB: ============= START OF LOAD BALANCING ============== 10948.7 LDB: Largest compute 7070 load 0.033380 is 17.1% of average load 0.195241 LDB: Average compute 0.004389 is 2.2% of average load 0.195241 LDB: TIME 10948.7 LOAD: AVG 0.195241 MAX 0.213608 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.652 MB LDB: TIME 10948.7 LOAD: AVG 0.195241 MAX 0.213608 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.656 MB LDB: TIME 10948.7 LOAD: AVG 0.195241 MAX 0.213608 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.656 MB LDB: ============== END OF LOAD BALANCING =============== 10948.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10948.7 PRESSURE: 3500400 334.894 -246.456 -157.805 -246.455 -28.8246 8.13992 -157.805 8.13949 359.937 GPRESSURE: 3500400 357.391 -114.916 -176.811 -268.886 48.3851 -70.2226 -59.2227 -88.2449 350.918 PRESSAVG: 3500400 48.0937 23.0169 25.9172 23.0169 -31.1367 13.9284 25.9173 13.9284 -18.9656 GPRESSAVG: 3500400 47.5614 22.7269 23.62 22.4923 -30.9627 12.3124 26.6166 12.4698 -18.3891 TIMING: 3500400 CPU: 10936.5, 0.00318198/step Wall: 10936.5, 0.00318198/step, 1.32547 hours remaining, 234.484375 MB of memory in use. ENERGY: 3500400 3944.7644 20457.7784 14546.3288 249.1446 -203837.1759 2883.5026 0.0000 0.0000 52232.6703 -109522.9867 300.1819 -161755.6570 -109146.6859 298.6806 222.0022 252.2314 761222.8250 -0.6695 -0.5968 PRESSURE: 3500600 92.0409 65.4103 133.468 65.4106 75.6874 1.96354 133.469 1.96387 164.818 GPRESSURE: 3500600 90.934 108.746 13.8378 73.8302 192.765 -27.8651 106.726 50.2844 143.57 PRESSAVG: 3500600 -9.61793 -3.05259 39.739 -3.05257 -12.431 -16.4655 39.739 -16.4656 -12.0008 GPRESSAVG: 3500600 -9.42264 -3.9098 40.183 -1.80556 -10.4212 -17.6466 39.745 -13.7402 -14.0993 TIMING: 3500600 CPU: 10937.1, 0.00312409/step Wall: 10937.1, 0.00312409/step, 1.30119 hours remaining, 234.484375 MB of memory in use. ENERGY: 3500600 3989.7106 20475.4010 14418.2828 249.5944 -203642.9993 2799.3830 0.0000 0.0000 52163.2983 -109547.3290 299.7832 -161710.6273 -109178.8397 299.3155 110.8487 142.4231 761676.0150 -11.3499 -11.3144 PRESSURE: 3500800 2.76473 -112.317 -39.4384 -112.317 315.812 -47.7172 -39.4377 -47.7175 118.809 GPRESSURE: 3500800 83.3262 -160.936 -0.0315284 -56.5211 263.714 -179.844 -93.575 69.5546 172.038 PRESSAVG: 3500800 83.6857 -2.7618 31.5277 -2.76172 -99.5849 2.45957 31.5277 2.45951 -8.89001 GPRESSAVG: 3500800 84.1572 -2.66013 31.6075 -3.3408 -100.78 3.32708 32.4879 2.45084 -8.26504 TIMING: 3500800 CPU: 10937.8, 0.00312925/step Wall: 10937.8, 0.00312925/step, 1.30316 hours remaining, 234.484375 MB of memory in use. ENERGY: 3500800 3967.6057 20547.9751 14426.7514 211.4754 -203564.8679 2790.4418 0.0000 0.0000 51922.1624 -109698.4561 298.3974 -161620.6185 -109349.6191 298.6310 145.7952 173.0260 763329.7286 -8.2631 -8.2958 PRESSURE: 3501000 112.983 19.6196 40.5073 19.62 36.8685 -94.3716 40.5069 -94.3713 385.934 GPRESSURE: 3501000 94.4803 -13.3458 98.7269 36.5151 133.75 -19.439 50.7991 5.66203 391.273 PRESSAVG: 3501000 45.2142 18.824 -36.8151 18.824 -53.281 -23.1911 -36.8152 -23.1911 -8.66255 GPRESSAVG: 3501000 45.2127 21.278 -38.5316 18.6922 -53.8785 -22.669 -35.9758 -23.7912 -7.44911 TIMING: 3501000 CPU: 10938.4, 0.00310812/step Wall: 10938.4, 0.00310812/step, 1.29419 hours remaining, 234.484375 MB of memory in use. ENERGY: 3501000 3977.7554 20679.6750 14430.8230 245.9309 -203759.0965 2826.5042 0.0000 0.0000 51846.9366 -109751.4713 297.9651 -161598.4079 -109383.0007 298.5042 178.5953 206.5011 763403.7446 -5.5764 -5.3716 PRESSURE: 3501200 65.2981 -266.357 -201.801 -266.357 168.577 -34.436 -201.802 -34.4376 79.2733 GPRESSURE: 3501200 216.995 -108.425 -118.348 -279.484 137.074 50.8411 -290.98 27.7829 46.8576 PRESSAVG: 3501200 -11.0666 -4.67262 23.1406 -4.67259 -15.6732 -4.63241 23.1406 -4.63248 20.8118 GPRESSAVG: 3501200 -10.0892 -5.1945 23.0852 -4.88858 -15.2199 -4.74413 23.7159 -3.29291 19.3865 TIMING: 3501200 CPU: 10939, 0.00311542/step Wall: 10939, 0.00311542/step, 1.29706 hours remaining, 234.484375 MB of memory in use. ENERGY: 3501200 3989.3637 20512.4228 14414.3247 256.8741 -203508.3456 2603.2113 0.0000 0.0000 51906.5171 -109825.6319 298.3075 -161732.1490 -109468.3650 297.6277 104.3827 133.6419 762126.5412 -1.9760 -1.9742 PRESSURE: 3501400 -164.799 76.7966 -251.364 76.796 -108.647 -81.1764 -251.364 -81.1774 -132.402 GPRESSURE: 3501400 -127.758 45.2929 -165.447 65.5894 -110.587 -106.878 -190.754 -69.5771 -97.7894 PRESSAVG: 3501400 -19.6697 -40.9861 -8.77641 -40.9862 58.6983 -9.69392 -8.77638 -9.694 -23.8891 GPRESSAVG: 3501400 -19.8392 -43.6091 -6.89455 -40.9534 59.0605 -9.91705 -10.7792 -9.94903 -23.7598 TIMING: 3501400 CPU: 10939.6, 0.00309241/step Wall: 10939.6, 0.0030924/step, 1.2873 hours remaining, 234.484375 MB of memory in use. ENERGY: 3501400 4036.3821 20402.8404 14441.3412 266.7581 -203738.8446 2699.9960 0.0000 0.0000 52219.0875 -109672.4394 300.1038 -161891.5269 -109310.4880 298.2161 -135.2827 -112.0449 760870.3687 5.0465 5.1538 PRESSURE: 3501600 282.536 -104.644 -55.0541 -104.644 341.568 -44.7944 -55.0543 -44.7942 14.6334 GPRESSURE: 3501600 333.08 -38.7936 -155.357 -51.6394 321.753 -87.4483 -56.9059 -15.357 50.9543 PRESSAVG: 3501600 58.3229 -21.8497 34.6045 -21.8497 0.122694 29.2555 34.6045 29.2555 7.71501 GPRESSAVG: 3501600 59.2356 -18.5102 33.6239 -23.3104 -0.988995 30.8601 34.0211 26.7846 7.75026 TIMING: 3501600 CPU: 10940.3, 0.00310294/step Wall: 10940.3, 0.00310294/step, 1.29151 hours remaining, 234.484375 MB of memory in use. ENERGY: 3501600 3924.3539 20637.7114 14428.0373 249.2596 -203833.7857 3009.5167 0.0000 0.0000 51835.3739 -109749.5329 297.8986 -161584.9068 -109385.6051 298.4748 212.9126 235.2624 760082.6482 22.0536 21.9990 PRESSURE: 3501800 -379.517 -206.532 34.6517 -206.531 32.9851 11.2912 34.6514 11.2913 -293.599 GPRESSURE: 3501800 -357.174 -128.824 59.3011 -249.845 162.337 33.3403 -40.4517 127.466 -344.345 PRESSAVG: 3501800 1.16636 -23.005 -12.523 -23.005 -58.901 -20.1183 -12.523 -20.1182 -13.902 GPRESSAVG: 3501800 -0.155033 -25.2278 -11.2908 -21.5366 -57.3099 -21.9022 -12.0068 -16.8361 -14.4213 TIMING: 3501800 CPU: 10940.9, 0.00311267/step Wall: 10940.9, 0.00311267/step, 1.29539 hours remaining, 234.484375 MB of memory in use. ENERGY: 3501800 3982.0500 20403.2498 14451.5902 235.3794 -203696.1357 2925.1957 0.0000 0.0000 52024.5429 -109674.1277 298.9858 -161698.6706 -109315.0040 298.4302 -213.3768 -179.7273 762224.3008 -23.8789 -23.9621 PRESSURE: 3502000 -82.9521 91.8933 251.541 91.893 120.54 -84.2348 251.54 -84.2342 -440.478 GPRESSURE: 3502000 -100.45 79.3114 156.977 26.9378 164.984 -126.416 270.917 -22.8859 -395.526 PRESSAVG: 3502000 27.7291 -8.97044 0.193543 -8.97049 4.54708 16.3065 0.193547 16.3065 8.06678 GPRESSAVG: 3502000 26.8282 -8.70468 1.01477 -8.33175 3.73657 16.9855 0.419384 16.0185 9.57214 TIMING: 3502000 CPU: 10941.5, 0.00312823/step Wall: 10941.5, 0.00312823/step, 1.30169 hours remaining, 234.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3502000 3990.5335 20431.9523 14389.5653 257.4795 -203681.1945 2710.5141 0.0000 0.0000 52275.2923 -109625.8574 300.4268 -161901.1497 -109264.2473 299.2789 -134.2968 -110.3306 759282.9100 13.4476 13.3790 PRESSURE: 3502200 -61.3664 -51.7973 390.326 -51.7973 172.518 56.1229 390.325 56.1226 -332.468 GPRESSURE: 3502200 36.0282 -57.4102 384.856 -91.6349 93.4833 -19.4348 290.907 184.021 -263.431 PRESSAVG: 3502200 -9.09409 31.0867 82.1348 31.0866 10.9526 4.8412 82.1348 4.84129 -9.71302 GPRESSAVG: 3502200 -8.85551 32.5648 79.6605 30.3742 11.0924 5.82939 82.1765 4.44857 -10.2612 TIMING: 3502200 CPU: 10942.1, 0.00311542/step Wall: 10942.1, 0.00311542/step, 1.29619 hours remaining, 234.484375 MB of memory in use. ENERGY: 3502200 4022.0256 20441.2999 14375.4820 276.6399 -203143.7492 2565.4034 0.0000 0.0000 51937.9207 -109524.9776 298.4879 -161462.8984 -109159.8145 299.1177 -73.7722 -44.6399 762076.5956 -2.6182 -2.6748 PRESSURE: 3502400 307.79 126.174 135.507 126.173 -123.537 -156.294 135.507 -156.295 219.518 GPRESSURE: 3502400 290.353 136.407 74.3946 128.492 -83.6661 -165.018 140.35 -77.6051 279 PRESSAVG: 3502400 -31.0615 7.41559 34.0591 7.41554 -5.60776 -9.01574 34.0591 -9.01577 -9.48402 GPRESSAVG: 3502400 -30.4819 6.78302 35.5268 9.49645 -5.71286 -6.31416 32.0869 -9.70372 -9.76416 TIMING: 3502400 CPU: 10942.7, 0.00311501/step Wall: 10942.7, 0.00311501/step, 1.29585 hours remaining, 234.484375 MB of memory in use. ENERGY: 3502400 3997.8403 20380.6194 14516.6825 252.9172 -203345.5708 2928.1638 0.0000 0.0000 51930.2089 -109339.1387 298.4436 -161269.3475 -108977.4959 298.9864 134.5905 161.8958 761819.6772 -15.3844 -15.3196 PRESSURE: 3502600 176.693 -116.875 207.337 -116.875 67.0142 -24.6702 207.337 -24.6705 -335.736 GPRESSURE: 3502600 220.133 -85.0495 89.3637 -69.9227 108.443 -24.1855 231.744 -5.11513 -328.792 PRESSAVG: 3502600 11.6421 -0.200271 48.4904 -0.200287 -18.0932 27.3918 48.4903 27.3919 -10.4322 GPRESSAVG: 3502600 10.8626 -2.66621 48.2102 -4.13141 -17.7582 25.1145 50.2093 28.356 -9.70002 TIMING: 3502600 CPU: 10943.4, 0.00310698/step Wall: 10943.4, 0.00310698/step, 1.29233 hours remaining, 234.484375 MB of memory in use. ENERGY: 3502600 3992.9483 20432.3592 14395.1427 249.6120 -203223.9637 2650.6607 0.0000 0.0000 52178.2142 -109325.0265 299.8689 -161503.2406 -108958.4069 298.6684 -30.6764 -0.0720 760287.1345 -5.6278 -5.5319 PRESSURE: 3502800 -352.742 63.6411 169.275 63.6415 -298.973 -71.9535 169.275 -71.9529 -320.031 GPRESSURE: 3502800 -307.218 133.035 270.792 184.77 -217.997 -90.2986 189.243 -2.81444 -342.389 PRESSAVG: 3502800 35.3051 -41.6983 59.3384 -41.6983 -52.4623 4.0362 59.3384 4.03635 12.6823 GPRESSAVG: 3502800 36.8543 -40.7842 60.4744 -37.3072 -52.0073 4.69659 58.5874 4.55932 11.2762 TIMING: 3502800 CPU: 10944, 0.00310581/step Wall: 10944, 0.00310581/step, 1.29167 hours remaining, 234.484375 MB of memory in use. ENERGY: 3502800 3970.4807 20463.5532 14418.5491 266.9727 -203114.1760 2593.2514 0.0000 0.0000 52099.1293 -109302.2396 299.4144 -161401.3689 -108940.0514 299.1412 -323.9150 -289.2012 762987.1898 -1.4916 -1.2923 PRESSURE: 3503000 401.75 -86.9924 38.169 -86.9924 303.771 92.2925 38.169 92.2929 316.672 GPRESSURE: 3503000 409.671 -195.945 22.7071 -130.528 274.588 79.0824 -52.8602 77.5086 409.223 PRESSAVG: 3503000 -3.78329 -32.2148 26.7171 -32.2148 -6.05017 6.50576 26.7171 6.50584 -8.0287 GPRESSAVG: 3503000 -4.52533 -29.8301 26.2213 -35.0131 -6.17963 5.55746 29.4117 4.38985 -7.56676 TIMING: 3503000 CPU: 10944.6, 0.00311407/step Wall: 10944.6, 0.00311407/step, 1.29494 hours remaining, 234.484375 MB of memory in use. ENERGY: 3503000 3981.6162 20553.8422 14398.2388 245.1629 -203710.1619 3010.1815 0.0000 0.0000 52170.2689 -109350.8514 299.8233 -161521.1203 -108994.9000 299.3269 340.7312 364.4939 761133.7824 -5.9541 -6.0906 PRESSURE: 3503200 -59.8107 107.984 -237.426 107.985 -15.583 15.5082 -237.425 15.5082 412.79 GPRESSURE: 3503200 -97.5227 75.1151 -211.583 26.2892 47.3876 35.7566 -184.017 -23.8553 451.011 PRESSAVG: 3503200 -5.096 -16.0165 8.95659 -16.0165 -2.17366 3.69519 8.95653 3.69516 7.83502 GPRESSAVG: 3503200 -4.9665 -20.1114 8.28435 -14.3968 -2.38626 4.49358 7.26641 4.06317 7.84222 TIMING: 3503200 CPU: 10945.2, 0.00310723/step Wall: 10945.2, 0.00310723/step, 1.29192 hours remaining, 234.484375 MB of memory in use. ENERGY: 3503200 4034.3346 20599.1552 14459.1565 256.9593 -203415.8864 2856.5278 0.0000 0.0000 52002.5098 -109207.2431 298.8591 -161209.7529 -108850.9721 299.3555 112.4655 133.6254 761831.9643 0.1885 0.1631 PRESSURE: 3503400 -467.171 -160.995 -48.4015 -160.995 -559.523 -48.5936 -48.4013 -48.595 -183.452 GPRESSURE: 3503400 -405.464 -133.466 5.30025 -68.9887 -553.157 -75.9632 4.92588 -111.664 -162.689 PRESSAVG: 3503400 -12.9012 -39.6269 -5.86368 -39.6269 -25.7883 -27.1482 -5.86372 -27.1482 -5.94578 GPRESSAVG: 3503400 -14.5383 -38.7935 -4.15235 -41.2804 -23.9143 -27.495 -7.68354 -25.5707 -5.78599 TIMING: 3503400 CPU: 10945.9, 0.00310027/step Wall: 10945.9, 0.00310027/step, 1.28885 hours remaining, 234.484375 MB of memory in use. ENERGY: 3503400 4046.3237 20513.2437 14498.4068 263.4164 -203100.5716 2297.6269 0.0000 0.0000 52259.5612 -109221.9929 300.3364 -161481.5541 -108875.1668 299.6171 -403.3819 -373.7701 762157.8116 -14.8784 -14.7462 PRESSURE: 3503600 117.029 169.286 -61.1742 169.285 -301.16 214.666 -61.1742 214.666 116.234 GPRESSURE: 3503600 203.483 175.269 -58.3764 279.475 -199.388 91.438 2.48621 96.0564 11.3363 PRESSAVG: 3503600 43.7526 3.00452 -4.54504 3.0045 -52.6766 -16.2301 -4.54504 -16.23 14.0439 GPRESSAVG: 3503600 45.7064 4.84537 -4.68203 5.03651 -54.5907 -18.0149 -1.46933 -15.9064 13.7179 TIMING: 3503600 CPU: 10946.5, 0.00310877/step Wall: 10946.5, 0.00310877/step, 1.29221 hours remaining, 234.484375 MB of memory in use. ENERGY: 3503600 4011.9772 20409.6031 14337.8340 246.1175 -203385.5040 2695.5086 0.0000 0.0000 52410.6990 -109273.7647 301.2050 -161684.4637 -108909.8127 299.4913 -22.6324 5.1439 762566.5997 1.7066 1.6112 PRESSURE: 3503800 240.101 -5.71316 -67.8788 -5.71334 60.5514 16.8226 -67.878 16.8221 -243.406 GPRESSURE: 3503800 202.487 17.2166 -94.4439 -0.580254 144.858 58.5105 -132.448 42.2097 -196.6 PRESSAVG: 3503800 32.2543 3.76 -9.04466 3.75989 -41.1732 4.40753 -9.04462 4.40749 19.5315 GPRESSAVG: 3503800 31.0136 3.36441 -10.8462 2.72059 -38.9771 4.90238 -11.1345 1.89436 18.7559 TIMING: 3503800 CPU: 10947.1, 0.00310473/step Wall: 10947.1, 0.00310473/step, 1.29036 hours remaining, 234.484375 MB of memory in use. ENERGY: 3503800 4007.5566 20598.6731 14375.1096 254.6791 -203476.4343 2953.6253 0.0000 0.0000 51905.8673 -109380.9233 298.3037 -161286.7906 -109018.9731 298.9709 19.0821 50.2484 762501.6990 3.5375 3.5975 PRESSURE: 3504000 -126.742 257.502 148.214 257.502 17.9231 -93.299 148.214 -93.2984 115.42 GPRESSURE: 3504000 -107.717 208.888 74.5782 366.627 3.80671 -79.2132 276.765 -64.2934 192.395 PRESSAVG: 3504000 -10.6256 38.8317 6.77786 38.8316 -14.3991 -35.6418 6.7778 -35.6418 23.8727 GPRESSAVG: 3504000 -9.96008 38.6652 6.48786 37.2359 -16.6425 -36.4989 8.92159 -33.6908 25.5296 TIMING: 3504000 CPU: 10947.7, 0.00309831/step Wall: 10947.7, 0.00309831/step, 1.28752 hours remaining, 234.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3504000 4067.8051 20418.2167 14486.7722 221.6796 -203670.6827 2780.5260 0.0000 0.0000 52229.4527 -109466.2305 300.1634 -161695.6831 -109107.1878 298.6108 2.2006 29.4947 761093.0036 -0.3840 -0.3577 PRESSURE: 3504200 -109.787 311.839 -112.078 311.84 -514.206 -30.9999 -112.079 -30.9995 -455.13 GPRESSURE: 3504200 -38.0451 221.66 -130.174 306.808 -456.321 13.314 -37.9648 -1.97275 -509.764 PRESSAVG: 3504200 7.41365 23.7184 -46.589 23.7183 22.9565 -16.6663 -46.5891 -16.6663 5.79183 GPRESSAVG: 3504200 6.82699 22.8952 -45.1476 26.105 23.5404 -16.0537 -48.5481 -16.895 5.60992 TIMING: 3504200 CPU: 10948.3, 0.00309465/step Wall: 10948.3, 0.00309465/step, 1.28583 hours remaining, 234.484375 MB of memory in use. ENERGY: 3504200 3995.8729 20456.3175 14447.5593 249.4125 -203422.4895 2608.9852 0.0000 0.0000 52278.5471 -109385.7949 300.4455 -161664.3420 -109015.5541 299.6337 -359.7077 -334.7099 763209.3180 12.0540 11.9924 LDB: ============= START OF LOAD BALANCING ============== 10960.8 LDB: ============== END OF LOAD BALANCING =============== 10960.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10960.8 LDB: ============= START OF LOAD BALANCING ============== 10961.1 LDB: Largest compute 7070 load 0.031977 is 16.4% of average load 0.195184 LDB: Average compute 0.004367 is 2.2% of average load 0.195184 LDB: TIME 10961.1 LOAD: AVG 0.195184 MAX 0.21854 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.496 MB LDB: TIME 10961.1 LOAD: AVG 0.195184 MAX 0.21854 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.594 MB LDB: TIME 10961.1 LOAD: AVG 0.195184 MAX 0.215231 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.594 MB LDB: ============== END OF LOAD BALANCING =============== 10961.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10961.1 PRESSURE: 3504400 -116.092 44.7094 39.3688 44.7089 -271.651 111.315 39.369 111.317 -110.023 GPRESSURE: 3504400 -104.912 82.8612 -42.4993 63.4718 -291.082 110.566 74.2572 -14.9819 -21.8083 PRESSAVG: 3504400 -9.33064 -13.8618 -53.251 -13.8618 10.5995 -5.3357 -53.251 -5.33569 -5.65957 GPRESSAVG: 3504400 -9.55919 -13.3279 -54.4011 -13.2818 11.5845 -4.24471 -52.2688 -5.89837 -6.51891 TIMING: 3504400 CPU: 10949, 0.00315909/step Wall: 10949, 0.00315909/step, 1.31243 hours remaining, 234.019531 MB of memory in use. ENERGY: 3504400 3953.2263 20476.7487 14485.4954 256.3908 -203508.1290 2902.8712 0.0000 0.0000 52123.2327 -109310.1639 299.5529 -161433.3966 -108951.6938 299.1351 -165.9222 -139.2674 762525.2773 -1.4636 -1.4979 PRESSURE: 3504600 -192.917 -40.9281 -78.1046 -40.9284 121.326 -80.5462 -78.1045 -80.5457 -91.894 GPRESSURE: 3504600 -203.077 -120.357 -38.1976 -31.8523 117.625 -80.3277 -93.1504 -16.8134 9.61039 PRESSAVG: 3504600 8.27882 2.80688 11.8715 2.80687 6.27775 1.23931 11.8715 1.23929 -26.7252 GPRESSAVG: 3504600 9.24794 3.3702 11.9252 1.83547 5.55442 2.1479 13.623 1.86036 -26.4616 TIMING: 3504600 CPU: 10949.6, 0.00309152/step Wall: 10949.6, 0.00309152/step, 1.28418 hours remaining, 234.222656 MB of memory in use. ENERGY: 3504600 3975.7957 20590.5112 14441.5823 246.5561 -203350.3817 2785.0362 0.0000 0.0000 52055.7782 -109255.1220 299.1653 -161310.9001 -108889.7205 299.0431 -54.4951 -25.2806 763257.6912 -4.0562 -3.8864 PRESSURE: 3504800 -1.16491 -26.0977 102.704 -26.0974 48.7986 170.163 102.704 170.163 138.725 GPRESSURE: 3504800 50.3077 76.7123 168.507 91.4463 60.5204 255.965 19.3583 161.982 136.844 PRESSAVG: 3504800 9.47064 39.3642 33.8203 39.3642 -8.95901 9.59661 33.8203 9.59666 5.73518 GPRESSAVG: 3504800 8.56332 37.6998 33.9594 38.9637 -8.50195 9.00043 30.9787 9.66452 5.6457 TIMING: 3504800 CPU: 10950.2, 0.00308998/step Wall: 10950.2, 0.00308998/step, 1.28337 hours remaining, 234.222656 MB of memory in use. ENERGY: 3504800 4019.8862 20549.9823 14402.7874 271.5379 -203429.8678 2693.5025 0.0000 0.0000 52236.7914 -109255.3802 300.2056 -161492.1715 -108891.0532 298.9236 62.1196 82.5575 763634.3142 2.0823 1.9024 PRESSURE: 3505000 -55.644 -273.016 -45.8239 -273.016 87.9601 175.198 -45.8239 175.199 -322.88 GPRESSURE: 3505000 -115.61 -250.36 -15.3268 -283.122 134.37 184.056 -17.2389 217.325 -242.326 PRESSAVG: 3505000 -69.841 -10.0566 -60.7043 -10.0566 49.8685 -66.4361 -60.7042 -66.4361 1.59074 GPRESSAVG: 3505000 -68.2882 -8.09393 -60.7143 -10.1055 47.5617 -65.8053 -59.711 -66.7736 2.21398 TIMING: 3505000 CPU: 10950.8, 0.00309834/step Wall: 10950.8, 0.00309834/step, 1.28667 hours remaining, 234.222656 MB of memory in use. ENERGY: 3505000 3999.1679 20616.8372 14469.0180 260.1834 -203119.9374 2604.8773 0.0000 0.0000 52086.3813 -109083.4723 299.3411 -161169.8536 -108716.4151 299.2687 -96.8547 -74.5221 764528.9428 -6.1273 -6.1708 PRESSURE: 3505200 -232.233 144.861 11.7269 144.861 -6.3191 65.4804 11.7273 65.4812 33.8107 GPRESSURE: 3505200 -180.255 138.795 54.6764 158.784 7.29725 28.4564 -73.1551 54.4356 38.804 PRESSAVG: 3505200 -55.1486 -32.7338 -48.7454 -32.7338 59.3949 -17.4938 -48.7454 -17.4938 -1.21072 GPRESSAVG: 3505200 -55.2163 -32.4652 -48.191 -34.7986 60.8558 -18.0267 -48.1388 -19.7617 -2.44571 TIMING: 3505200 CPU: 10951.4, 0.00308473/step Wall: 10951.4, 0.00308473/step, 1.28085 hours remaining, 234.222656 MB of memory in use. ENERGY: 3505200 4025.0786 20652.6092 14398.6860 236.8253 -203255.0334 2618.6911 0.0000 0.0000 52279.9363 -109043.2070 300.4535 -161323.1433 -108680.8216 299.6877 -68.2472 -44.7179 763391.8049 1.0119 1.0646 PRESSURE: 3505400 -25.5837 35.9962 226.452 35.9963 290.678 -83.0014 226.452 -83.0024 -137.248 GPRESSURE: 3505400 38.8133 -122.838 167.648 142.238 272.866 -69.1892 345.603 -116.438 -115.257 PRESSAVG: 3505400 31.3993 -8.27594 1.19789 -8.27594 44.7799 -26.019 1.19789 -26.0189 47.1211 GPRESSAVG: 3505400 31.1104 -9.88471 0.908531 -2.54324 43.7189 -27.2226 0.65058 -21.9852 48.0658 TIMING: 3505400 CPU: 10952.1, 0.00308788/step Wall: 10952.1, 0.00308788/step, 1.28198 hours remaining, 234.222656 MB of memory in use. ENERGY: 3505400 4069.4549 20511.3787 14464.9207 246.4995 -203425.3671 2933.2369 0.0000 0.0000 52252.4289 -108947.4474 300.2954 -161199.8763 -108584.3489 300.1117 42.6153 65.4741 762402.3628 41.1001 40.9650 PRESSURE: 3505600 -119.999 182.078 21.6079 182.078 -45.5047 97.5004 21.6064 97.5001 -472.196 GPRESSURE: 3505600 -29.1264 204.538 19.9966 79.843 12.8275 162.297 -52.1525 84.3709 -518.752 PRESSAVG: 3505600 -32.2419 -2.33539 -11.5558 -2.33539 51.8991 -53.7734 -11.5558 -53.7734 16.4314 GPRESSAVG: 3505600 -31.765 -1.39253 -11.1112 -6.47436 51.7282 -55.3023 -12.6624 -55.447 16.2161 TIMING: 3505600 CPU: 10952.7, 0.00309983/step Wall: 10952.7, 0.00309983/step, 1.28677 hours remaining, 234.222656 MB of memory in use. ENERGY: 3505600 3978.8607 20558.9802 14429.8880 246.3711 -203251.4725 2762.3668 0.0000 0.0000 52059.3724 -109215.6334 299.1859 -161275.0058 -108845.8475 299.7026 -212.5668 -178.3504 763165.5857 12.0295 12.0598 PRESSURE: 3505800 -403.868 4.62865 -202.722 4.62876 -382.314 118.348 -202.724 118.347 175.494 GPRESSURE: 3505800 -317.372 -24.5753 -190.231 48.6096 -360.164 162.796 -81.3147 -6.07311 155.025 PRESSAVG: 3505800 34.4666 -5.18199 -59.6233 -5.18192 -13.8065 -7.59741 -59.6234 -7.59738 -3.29071 GPRESSAVG: 3505800 33.6775 -5.20996 -60.244 -4.71287 -13.2929 -3.67648 -58.6273 -6.74548 -3.13809 TIMING: 3505800 CPU: 10953.3, 0.00309774/step Wall: 10953.3, 0.00309774/step, 1.28573 hours remaining, 234.222656 MB of memory in use. ENERGY: 3505800 4017.6749 20647.7388 14436.1974 223.9015 -203064.8503 2430.6953 0.0000 0.0000 52197.1493 -109111.4931 299.9777 -161308.6424 -108758.4408 299.1796 -203.5631 -174.1701 763050.7194 5.7898 5.7488 PRESSURE: 3506000 -164.668 -43.1423 -23.5033 -43.142 -414.19 -127.491 -23.5028 -127.49 273.637 GPRESSURE: 3506000 -119.653 -85.5946 -30.2981 -31.8519 -339.435 -12.4344 15.1846 -224.13 243.093 PRESSAVG: 3506000 28.0028 -68.9258 -47.046 -68.9258 -15.6784 5.0908 -47.046 5.09079 15.6878 GPRESSAVG: 3506000 28.0958 -69.2989 -46.7261 -68.41 -15.6774 4.77373 -47.311 2.3484 15.6041 TIMING: 3506000 CPU: 10953.9, 0.00309674/step Wall: 10953.9, 0.00309674/step, 1.28515 hours remaining, 234.480469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3506000 4076.3392 20592.0697 14402.0312 245.9705 -203715.9282 3106.5459 0.0000 0.0000 51970.3841 -109322.5876 298.6745 -161292.9717 -108963.6891 299.5735 -101.7402 -71.9983 763029.0788 9.3374 9.3408 PRESSURE: 3506200 77.922 -25.4772 -20.0583 -25.4775 111.015 204.836 -20.059 204.836 109.726 GPRESSURE: 3506200 223.191 -65.1754 -0.814471 -31.7239 59.1442 161.348 -12.103 194.771 92.804 PRESSAVG: 3506200 3.07307 -59.2116 -35.1509 -59.2116 -34.0411 -19.8203 -35.1508 -19.8203 10.1322 GPRESSAVG: 3506200 2.91738 -58.4874 -34.5271 -59.7158 -33.7003 -21.9092 -36.4344 -17.6299 9.61905 TIMING: 3506200 CPU: 10954.5, 0.00308489/step Wall: 10954.5, 0.00308489/step, 1.28006 hours remaining, 234.480469 MB of memory in use. ENERGY: 3506200 3955.0768 20618.4028 14414.6449 243.7158 -203364.9297 2558.1799 0.0000 0.0000 52175.2744 -109399.6350 299.8520 -161574.9094 -109029.4691 299.0676 99.5544 125.0463 762342.1925 -6.9453 -7.0546 PRESSURE: 3506400 -63.8246 -75.2972 344.406 -75.2965 -70.3518 -16.1047 344.406 -16.1051 -219.052 GPRESSURE: 3506400 -11.6415 -28.6885 331.625 -52.8031 -81.9687 -49.2795 360.749 -36.9909 -174.807 PRESSAVG: 3506400 21.5375 -58.3516 1.28533 -58.3516 -7.21847 14.7407 1.28525 14.7407 11.7924 GPRESSAVG: 3506400 21.7002 -59.5248 -1.57399 -60.2107 -6.60595 15.1094 3.95337 13.7262 10.7541 TIMING: 3506400 CPU: 10955.2, 0.00310495/step Wall: 10955.2, 0.00310494/step, 1.28821 hours remaining, 234.480469 MB of memory in use. ENERGY: 3506400 3977.2344 20561.2927 14464.1804 263.1113 -203408.5620 2598.7804 0.0000 0.0000 52012.8658 -109531.0970 298.9187 -161543.9628 -109171.9836 298.7690 -117.7429 -89.4724 762523.1983 8.7038 8.6161 PRESSURE: 3506600 -268.271 90.0629 -95.9217 90.0628 -301.256 -22.6624 -95.9216 -22.6632 -557.531 GPRESSURE: 3506600 -232.593 26.1051 -65.9713 117.509 -309.184 -32.9306 -88.3708 -82.2513 -500.28 PRESSAVG: 3506600 13.9407 -15.2327 -18.7328 -15.2327 -16.5686 -35.7142 -18.7328 -35.7142 3.63718 GPRESSAVG: 3506600 13.0321 -16.691 -15.4658 -11.896 -16.7268 -35.8339 -18.8338 -34.2019 5.12807 TIMING: 3506600 CPU: 10955.8, 0.00309324/step Wall: 10955.8, 0.00309324/step, 1.28318 hours remaining, 234.480469 MB of memory in use. ENERGY: 3506600 4035.6962 20551.6526 14344.5150 252.1168 -203772.6738 2792.3010 0.0000 0.0000 52000.8575 -109795.5347 298.8496 -161796.3921 -109431.2103 298.6157 -375.6860 -347.3523 760929.8639 0.3364 0.4778 PRESSURE: 3506800 185.379 -5.46538 -118.901 -5.46414 16.3284 -119.644 -118.901 -119.643 -145.734 GPRESSURE: 3506800 194.425 56.974 -92.2729 -18.8418 21.8404 -130.067 -168.338 -56.8152 -82.9406 PRESSAVG: 3506800 5.76439 -4.43727 22.0661 -4.43725 -21.7369 -9.34417 22.0661 -9.34413 -6.28789 GPRESSAVG: 3506800 5.04928 -3.67159 21.1412 -5.11057 -22.6187 -10.1095 23.1616 -10.0406 -5.33042 TIMING: 3506800 CPU: 10956.4, 0.00309816/step Wall: 10956.4, 0.00309816/step, 1.28505 hours remaining, 234.480469 MB of memory in use. ENERGY: 3506800 4105.5680 20410.8310 14488.2089 260.7058 -203644.6990 2684.0257 0.0000 0.0000 52015.8399 -109679.5196 298.9357 -161695.3595 -109317.1213 298.5064 18.6579 44.4416 761561.8929 -7.4201 -7.6333 PRESSURE: 3507000 -230.709 -53.5926 -169.69 -53.5932 10.4329 -43.4537 -169.69 -43.4539 293.255 GPRESSURE: 3507000 -181.223 -87.4156 -176.958 92.5492 88.2263 -93.3872 -161.582 -11.9673 255.366 PRESSAVG: 3507000 -25.332 43.9987 43.17 43.9987 -4.02783 -64.63 43.1699 -64.6299 4.63667 GPRESSAVG: 3507000 -24.8178 43.4426 42.8492 44.5274 -3.12082 -64.1476 42.7813 -65.111 3.17415 TIMING: 3507000 CPU: 10957, 0.00309125/step Wall: 10957, 0.00309125/step, 1.28201 hours remaining, 234.480469 MB of memory in use. ENERGY: 3507000 4017.9418 20332.2728 14417.6913 239.9526 -203360.7845 2750.8439 0.0000 0.0000 51822.3857 -109779.6963 297.8240 -161602.0820 -109424.1729 298.0917 24.3262 54.1231 761551.7239 -8.2411 -8.2548 PRESSURE: 3507200 -33.8832 -44.3175 215.662 -44.317 -43.1365 109.03 215.662 109.031 101.888 GPRESSURE: 3507200 15.0363 -25.9927 240.148 -128.945 -98.7436 77.9997 234.027 133.086 191.911 PRESSAVG: 3507200 31.5867 -4.63807 33.5284 -4.63808 8.21517 40.8627 33.5283 40.8626 0.256624 GPRESSAVG: 3507200 31.8269 -3.35024 33.3641 -3.97578 7.65161 41.0824 32.3052 40.2685 0.79412 TIMING: 3507200 CPU: 10957.6, 0.00309861/step Wall: 10957.6, 0.00309861/step, 1.28489 hours remaining, 234.480469 MB of memory in use. ENERGY: 3507200 4028.8401 20340.1674 14347.3141 246.9719 -203439.6554 2835.0914 0.0000 0.0000 52169.1687 -109472.1019 299.8169 -161641.2706 -109103.2493 298.2797 8.2895 36.0680 762094.9086 13.3528 13.4242 PRESSURE: 3507400 -46.6912 -47.5727 -92.1121 -47.5733 -16.3435 2.06531 -92.1122 2.06495 -117.233 GPRESSURE: 3507400 21.8165 -172.108 24.6596 -32.3677 36.4245 79.7572 -83.1529 -33.9416 -161.817 PRESSAVG: 3507400 -20.6942 56.3514 -27.9996 56.3514 -18.8761 -27.0754 -27.9996 -27.0754 -3.57902 GPRESSAVG: 3507400 -19.25 54.9677 -28.4568 55.4541 -19.1717 -27.3435 -26.1244 -25.6491 -4.97872 TIMING: 3507400 CPU: 10958.2, 0.00308548/step Wall: 10958.2, 0.00308548/step, 1.27928 hours remaining, 234.480469 MB of memory in use. ENERGY: 3507400 4011.0411 20435.8136 14404.4574 246.8423 -203463.8865 2900.7747 0.0000 0.0000 52035.3930 -109429.5644 299.0481 -161464.9575 -109067.5426 298.9977 -60.0894 -34.5253 761923.7244 -14.3831 -14.4668 PRESSURE: 3507600 -357.227 -109.376 -41.6864 -109.375 -422.309 -57.1068 -41.6852 -57.1069 349.751 GPRESSURE: 3507600 -306.859 21.546 -5.81314 -54.327 -293.852 18.0544 -41.5395 -60.8735 245.263 PRESSAVG: 3507600 36.7464 -31.869 -29.4593 -31.869 -78.1264 19.341 -29.4593 19.341 13.1137 GPRESSAVG: 3507600 36.5404 -28.4677 -29.0039 -33.1682 -78.1821 21.2307 -29.9975 19.4263 13.4472 TIMING: 3507600 CPU: 10958.9, 0.00309682/step Wall: 10958.9, 0.00309682/step, 1.2838 hours remaining, 234.480469 MB of memory in use. ENERGY: 3507600 3925.0347 20493.8249 14427.3895 268.0120 -203036.6318 2500.8565 0.0000 0.0000 51997.4665 -109424.0478 298.8302 -161421.5143 -109064.0566 298.9351 -143.2616 -118.4824 762656.2675 -9.4221 -9.3981 PRESSURE: 3507800 -48.8567 34.5091 223.306 34.5086 104.906 -18.2259 223.306 -18.2255 74.9711 GPRESSURE: 3507800 -51.4537 81.896 266.764 147.446 181.574 8.64981 287.072 -36.0343 102.087 PRESSAVG: 3507800 66.9004 -27.7791 -23.8575 -27.7791 -53.5011 44.7741 -23.8575 44.7742 -20.6981 GPRESSAVG: 3507800 65.7434 -28.9529 -24.5609 -26.4315 -54.059 44.9999 -24.8411 44.9846 -19.4394 TIMING: 3507800 CPU: 10959.5, 0.00309557/step Wall: 10959.5, 0.00309557/step, 1.28312 hours remaining, 234.480469 MB of memory in use. ENERGY: 3507800 3932.9527 20497.3730 14404.1703 212.5552 -203527.5135 2949.6727 0.0000 0.0000 52240.8600 -109289.9296 300.2289 -161530.7896 -108925.0567 299.6471 43.6735 77.4027 760768.6169 -2.4330 -2.5850 PRESSURE: 3508000 317.415 -51.2931 -19.7751 -51.2932 -140.351 268.485 -19.7753 268.486 339.175 GPRESSURE: 3508000 241.224 -0.388446 -24.3054 -22.4154 -17.7395 234.158 -111.504 221.505 380.604 PRESSAVG: 3508000 36.3794 5.52242 -12.711 5.52245 13.8621 -7.78417 -12.711 -7.78419 -9.09309 GPRESSAVG: 3508000 35.9965 6.31977 -12.184 6.87337 15.9461 -9.40505 -12.2913 -7.11562 -10.7501 TIMING: 3508000 CPU: 10960.1, 0.00309332/step Wall: 10960.1, 0.00309332/step, 1.28201 hours remaining, 234.480469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3508000 3883.0617 20458.4125 14399.9740 250.3258 -202944.4040 2506.7517 0.0000 0.0000 52157.8832 -109287.9951 299.7521 -161445.8783 -108928.5578 299.8002 172.0798 201.3628 761980.0646 13.7162 13.7308 PRESSURE: 3508200 -391.874 -42.6674 -68.987 -42.6672 -230.789 2.51088 -68.9871 2.51157 -205.403 GPRESSURE: 3508200 -365.486 -164.254 -186.633 20.9713 -190.1 19.2413 -56.264 -54.0589 -188.466 PRESSAVG: 3508200 -20.9324 -25.362 -81.2416 -25.362 2.66066 40.886 -81.2416 40.886 -3.04549 GPRESSAVG: 3508200 -20.2826 -27.0232 -81.9223 -26.899 1.53037 41.5029 -79.8106 40.1179 -2.34582 TIMING: 3508200 CPU: 10960.7, 0.00309639/step Wall: 10960.7, 0.00309639/step, 1.28311 hours remaining, 234.480469 MB of memory in use. ENERGY: 3508200 3910.2324 20435.7248 14400.1581 234.4138 -202897.4942 2470.9830 0.0000 0.0000 52180.8489 -109265.1334 299.8841 -161445.9823 -108922.4323 299.2910 -276.0219 -248.0172 761780.8812 -7.1057 -7.0327 LDB: ============= START OF LOAD BALANCING ============== 10973.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10973.2 LDB: =============== DONE WITH MIGRATION ================ 10973.2 LDB: ============= START OF LOAD BALANCING ============== 10973.5 LDB: Largest compute 7037 load 0.030093 is 15.4% of average load 0.195202 LDB: Average compute 0.004395 is 2.3% of average load 0.195202 LDB: TIME 10973.5 LOAD: AVG 0.195202 MAX 0.213346 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 232.871 MB LDB: TIME 10973.5 LOAD: AVG 0.195202 MAX 0.213346 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.871 MB LDB: TIME 10973.5 LOAD: AVG 0.195202 MAX 0.213346 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.871 MB LDB: ============== END OF LOAD BALANCING =============== 10973.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10973.5 PRESSURE: 3508400 -236.203 264.149 57.4141 264.149 -148.335 85.1856 57.4141 85.1859 -59.1207 GPRESSURE: 3508400 -247.684 236.417 8.23813 278.195 -95.5661 97.9144 -138.55 -15.4751 -16.1877 PRESSAVG: 3508400 57.9779 -14.6021 -66.3475 -14.602 -23.8588 -5.88224 -66.3475 -5.88227 3.36848 GPRESSAVG: 3508400 57.6078 -15.5866 -64.8727 -14.8784 -23.5642 -5.96642 -69.2753 -6.23308 3.64148 TIMING: 3508400 CPU: 10961.4, 0.00317362/step Wall: 10961.4, 0.00317362/step, 1.31494 hours remaining, 234.308594 MB of memory in use. ENERGY: 3508400 3919.7226 20396.5593 14449.3718 258.6324 -202820.0425 2497.8188 0.0000 0.0000 51837.4389 -109460.4986 297.9105 -161297.9375 -109084.2613 298.9203 -147.8861 -119.8127 763188.3055 12.4959 12.5617 PRESSURE: 3508600 9.6059 -140.954 95.2085 -140.954 -145.705 -69.6365 95.2083 -69.6366 -224.858 GPRESSURE: 3508600 -22.391 -209.349 55.5254 -55.3052 -70.1525 -104.417 101.652 -19.2898 -171.632 PRESSAVG: 3508600 36.7759 -8.10208 -43.0518 -8.10201 -46.3662 -53.4783 -43.0519 -53.4783 11.249 GPRESSAVG: 3508600 36.8794 -5.84984 -43.5423 -7.92391 -47.1994 -53.9535 -42.1833 -52.34 12.2133 TIMING: 3508600 CPU: 10962, 0.0031034/step Wall: 10962, 0.0031034/step, 1.28567 hours remaining, 234.511719 MB of memory in use. ENERGY: 3508600 3902.3157 20469.8611 14442.7923 239.1968 -203419.4303 2576.1370 0.0000 0.0000 52238.0655 -109551.0621 300.2129 -161789.1275 -109186.4969 298.4858 -120.3192 -88.0586 760819.1035 0.5529 0.6311 PRESSURE: 3508800 -196.991 15.1224 77.9802 15.1214 -43.2281 50.4283 77.9809 50.4299 -103.457 GPRESSURE: 3508800 -236.861 -22.8468 58.9609 -38.2445 -28.8679 18.8706 -26.9867 25.8983 15.5661 PRESSAVG: 3508800 2.29163 -31.5838 8.20694 -31.5838 -13.4475 1.64484 8.20693 1.64492 36.0538 GPRESSAVG: 3508800 1.63429 -31.9139 7.28197 -32.0181 -12.8326 1.14334 9.46678 2.44489 35.7894 TIMING: 3508800 CPU: 10962.6, 0.00311335/step Wall: 10962.6, 0.00311335/step, 1.28962 hours remaining, 234.511719 MB of memory in use. ENERGY: 3508800 3982.2663 20459.6507 14387.6687 258.2016 -203331.6211 2661.6728 0.0000 0.0000 52072.2964 -109509.8646 299.2602 -161582.1609 -109156.2846 298.6716 -114.5584 -83.3875 763501.9986 8.2993 8.1970 PRESSURE: 3509000 218.362 53.0089 14.7523 53.0099 135.751 -3.73561 14.7526 -3.73538 250.041 GPRESSURE: 3509000 242.163 4.40594 24.7827 -2.10129 203.038 -43.6012 -92.9021 -56.5887 229.043 PRESSAVG: 3509000 60.7051 18.0317 -6.0477 18.0317 -23.3301 -23.4592 -6.04769 -23.4591 -1.5079 GPRESSAVG: 3509000 60.366 18.0934 -7.19349 18.2572 -23.2627 -22.9782 -5.23787 -25.0316 -2.20376 TIMING: 3509000 CPU: 10963.2, 0.00312813/step Wall: 10963.2, 0.00312813/step, 1.29557 hours remaining, 234.511719 MB of memory in use. ENERGY: 3509000 4003.9476 20571.3416 14412.5749 247.3375 -203239.9639 2787.7190 0.0000 0.0000 51900.6350 -109316.4084 298.2737 -161217.0434 -108960.2142 299.2211 201.3850 224.7480 763317.2452 11.9557 11.6332 PRESSURE: 3509200 344.837 14.224 140.284 14.2233 -4.27396 41.043 140.284 41.0415 365.893 GPRESSURE: 3509200 465.512 48.4088 106.767 16.3212 -30.121 36.0028 197.274 -17.4004 357.478 PRESSAVG: 3509200 33.336 12.7905 52.3075 12.7905 -47.2795 12.9556 52.3076 12.9556 3.43358 GPRESSAVG: 3509200 32.7996 12.7286 53.5713 11.111 -47.258 12.1 50.6794 14.5738 4.26575 TIMING: 3509200 CPU: 10963.9, 0.0031193/step Wall: 10963.9, 0.0031193/step, 1.29174 hours remaining, 234.511719 MB of memory in use. ENERGY: 3509200 3919.3974 20608.8077 14404.6945 262.5447 -202708.2429 2294.2949 0.0000 0.0000 51908.2776 -109310.2261 298.3176 -161218.5037 -108949.5852 299.3798 235.4855 264.2896 763828.4866 -3.5033 -3.3976 PRESSURE: 3509400 -98.1094 -126.029 66.4384 -126.029 -226.368 -48.8478 66.4378 -48.8481 -276.442 GPRESSURE: 3509400 -44.9014 10.0169 20.8937 -196.565 -238.357 -135.646 54.5847 -142.901 -225.847 PRESSAVG: 3509400 40.0651 -4.14456 52.9885 -4.14454 -63.1683 15.4087 52.9885 15.4086 -2.39194 GPRESSAVG: 3509400 40.1117 -2.8003 52.9562 -2.57434 -62.7372 14.974 52.8877 13.0397 -2.76336 TIMING: 3509400 CPU: 10964.5, 0.00311144/step Wall: 10964.5, 0.00311144/step, 1.28831 hours remaining, 234.511719 MB of memory in use. ENERGY: 3509400 3989.3361 20486.7385 14337.3652 241.0716 -203076.6497 2387.0608 0.0000 0.0000 52295.5725 -109339.5050 300.5434 -161635.0776 -108963.8137 299.4774 -200.3064 -169.7017 764340.6797 -8.4984 -8.4630 PRESSURE: 3509600 -69.2114 -88.764 -256.241 -88.7634 -116.691 -310.946 -256.241 -310.947 -211.139 GPRESSURE: 3509600 65.9232 -52.9671 -222.211 -247.011 -197.354 -314.758 -290.178 -336.296 -179.239 PRESSAVG: 3509600 49.0005 -44.8528 -18.9098 -44.8528 -43.8024 -25.374 -18.9099 -25.374 10.3592 GPRESSAVG: 3509600 50.1925 -45.0049 -18.2967 -46.9315 -44.3841 -25.6638 -19.9822 -23.2564 9.6866 TIMING: 3509600 CPU: 10965.1, 0.00311764/step Wall: 10965.1, 0.00311764/step, 1.2907 hours remaining, 234.511719 MB of memory in use. ENERGY: 3509600 3945.3976 20584.3525 14471.9442 250.2992 -203470.8077 2557.9715 0.0000 0.0000 52356.9430 -109303.8997 300.8961 -161660.8427 -108935.2578 298.8782 -132.3472 -103.5566 763722.7169 5.1858 5.1650 PRESSURE: 3509800 -365.888 18.2058 -121.873 18.2051 -336.62 111.194 -121.873 111.195 -9.26419 GPRESSURE: 3509800 -346.864 19.5516 -89.6089 -130.166 -334.891 40.3074 -90.8306 -7.45368 30.7555 PRESSAVG: 3509800 31.1908 -23.0527 -45.1676 -23.0527 -45.8293 -21.8758 -45.1676 -21.8758 0.527755 GPRESSAVG: 3509800 30.1902 -23.0295 -44.963 -21.009 -44.87 -19.2689 -44.0997 -22.7854 0.777574 TIMING: 3509800 CPU: 10965.7, 0.00310408/step Wall: 10965.7, 0.00310408/step, 1.28491 hours remaining, 234.511719 MB of memory in use. ENERGY: 3509800 4000.3934 20574.1441 14377.8284 258.6407 -203155.6051 2602.9334 0.0000 0.0000 51918.3026 -109423.3626 298.3752 -161341.6653 -109057.4908 298.4441 -237.2574 -216.9998 765056.1694 -4.7036 -4.6341 PRESSURE: 3510000 -72.9508 -81.7129 44.1494 -81.7124 -61.433 -119.632 44.1493 -119.633 -14.1933 GPRESSURE: 3510000 1.02312 -58.7411 -38.0646 -71.904 -95.3711 -67.8945 -110.138 -136.957 34.213 PRESSAVG: 3510000 -19.7313 -39.2866 -24.0402 -39.2866 -15.0892 4.76391 -24.0401 4.76388 -20.3668 GPRESSAVG: 3510000 -19.4887 -40.0636 -24.4652 -38.7257 -15.4394 3.69368 -23.76 2.84245 -19.4535 TIMING: 3510000 CPU: 10966.3, 0.0031216/step Wall: 10966.3, 0.0031216/step, 1.292 hours remaining, 234.511719 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: 3510000 3972.5260 20478.4457 14388.3095 235.4823 -202967.9171 2500.5558 0.0000 0.0000 51711.3069 -109681.2909 297.1856 -161392.5978 -109319.7357 297.9939 -49.5257 -20.0450 764159.8400 -18.3958 -18.1272 PRESSURE: 3510200 -104.886 -213.158 66.7184 -213.158 122.811 -108.039 66.719 -108.04 -40.6997 GPRESSURE: 3510200 -136.359 -240.974 44.5115 -235.053 200.364 53.7879 198.729 -64.4889 -2.3874 PRESSAVG: 3510200 32.369 -22.7754 -50.4228 -22.7754 -94.0185 -17.7859 -50.4228 -17.7858 2.59763 GPRESSAVG: 3510200 33.4972 -23.8566 -50.5602 -23.8816 -94.6424 -18.1819 -49.6152 -14.1858 2.25667 TIMING: 3510200 CPU: 10967, 0.00312432/step Wall: 10967, 0.00312432/step, 1.29295 hours remaining, 234.511719 MB of memory in use. ENERGY: 3510200 3989.8555 20539.4620 14428.9396 236.9419 -203339.5057 2941.4777 0.0000 0.0000 51724.0606 -109478.7685 297.2589 -161202.8291 -109111.7400 297.8972 -7.5915 20.5391 764053.0402 -19.6840 -19.6295 PRESSURE: 3510400 24.0629 232.349 3.37687 232.348 -86.2486 -4.52728 3.37672 -4.52866 -118.322 GPRESSURE: 3510400 -9.89703 297.476 -11.7961 267.082 -62.9887 27.9706 116.174 71.863 -22.1186 PRESSAVG: 3510400 33.8937 -53.971 -28.8393 -53.971 9.67896 32.2201 -28.8394 32.22 10.8444 GPRESSAVG: 3510400 33.4333 -51.6057 -27.9354 -54.1628 9.88205 31.4945 -28.9258 31.9485 10.9032 TIMING: 3510400 CPU: 10967.6, 0.00313527/step Wall: 10967.6, 0.00313527/step, 1.2973 hours remaining, 234.511719 MB of memory in use. ENERGY: 3510400 3937.3547 20617.2778 14386.3531 241.5730 -203193.2298 2669.1727 0.0000 0.0000 52071.7190 -109269.7796 299.2569 -161341.4986 -108910.7512 298.9440 -60.1694 -31.6681 762705.4658 18.1390 18.0729 PRESSURE: 3510600 45.9872 -5.95732 -26.3564 -5.95777 140.981 -108.644 -26.3565 -108.643 142.514 GPRESSURE: 3510600 164.505 -93.7236 -60.7131 -21.1323 157.741 -83.0968 12.8352 -57.8082 102.33 PRESSAVG: 3510600 11.8528 -20.9806 3.57797 -20.9806 -38.5585 21.051 3.57804 21.051 -3.80741 GPRESSAVG: 3510600 12.5817 -23.1383 2.74531 -18.7821 -39.0169 21.2641 3.92769 17.8331 -4.08049 TIMING: 3510600 CPU: 10968.2, 0.00311562/step Wall: 10968.2, 0.00311562/step, 1.289 hours remaining, 234.511719 MB of memory in use. ENERGY: 3510600 3970.8482 20466.7086 14437.3149 243.4005 -203255.1612 2791.3442 0.0000 0.0000 51995.3281 -109350.2167 298.8179 -161345.5447 -108994.1309 298.6498 109.8276 141.5253 762898.3200 -10.1710 -10.1719 PRESSURE: 3510800 -42.4991 -70.3779 12.8025 -70.3778 -418.38 -19.729 12.8021 -19.7291 323.684 GPRESSURE: 3510800 -123.191 -9.23021 -18.9913 -10.125 -236.522 -5.36433 -34.1869 5.08621 302.246 PRESSAVG: 3510800 33.8134 51.7451 -41.0413 51.7451 -5.85025 -46.7816 -41.0413 -46.7816 12.3043 GPRESSAVG: 3510800 32.7936 51.1409 -40.1395 51.3367 -3.82264 -46.6808 -41.1852 -46.5067 10.9539 TIMING: 3510800 CPU: 10968.8, 0.00310409/step Wall: 10968.8, 0.00310409/step, 1.28406 hours remaining, 234.511719 MB of memory in use. ENERGY: 3510800 3965.4483 20373.8653 14452.2831 246.4255 -203506.9058 2661.9815 0.0000 0.0000 52195.8006 -109611.1015 299.9700 -161806.9021 -109239.0098 298.7561 -45.7317 -19.1559 761398.4034 13.4225 13.3083 PRESSURE: 3511000 -146.836 -107.842 -35.3371 -107.842 -120.035 -38.0338 -35.3378 -38.0339 -39.4713 GPRESSURE: 3511000 -160.551 -193.861 -125.728 -85.0064 -104.3 -118.42 -6.36141 -5.97801 58.6589 PRESSAVG: 3511000 -50.1747 -43.9021 -33.5568 -43.9021 -13.7293 -48.9327 -33.5568 -48.9327 12.7037 GPRESSAVG: 3511000 -50.94 -42.3764 -35.8828 -45.0688 -13.2254 -50.7197 -33.5269 -46.065 13.4273 TIMING: 3511000 CPU: 10969.5, 0.00311689/step Wall: 10969.5, 0.00311689/step, 1.28918 hours remaining, 234.511719 MB of memory in use. ENERGY: 3511000 4051.6915 20432.7541 14452.9111 256.9358 -203553.0576 2590.5370 0.0000 0.0000 52100.5647 -109667.6634 299.4227 -161768.2281 -109305.5922 298.5551 -102.1139 -68.7307 761686.5353 -17.0668 -16.9127 PRESSURE: 3511200 118.945 -82.9572 -108.853 -82.9572 -61.8168 -148.777 -108.852 -148.776 113.3 GPRESSURE: 3511200 228.906 12.072 -130.41 -193.096 -90.9412 -108.576 -46.4272 -189.841 104.243 PRESSAVG: 3511200 31.9318 -1.06546 -23.0926 -1.06549 8.11269 -60.7074 -23.0926 -60.7073 -26.736 GPRESSAVG: 3511200 31.9472 -1.27444 -20.9494 -0.626456 6.07592 -59.6568 -22.9888 -60.7543 -24.8168 TIMING: 3511200 CPU: 10970.1, 0.0031187/step Wall: 10970.1, 0.0031187/step, 1.28976 hours remaining, 234.511719 MB of memory in use. ENERGY: 3511200 3930.4798 20587.1942 14417.7934 231.5763 -203142.5096 2480.4853 0.0000 0.0000 51914.1157 -109580.8651 298.3511 -161494.9807 -109220.9401 298.1852 56.8096 80.7359 763455.9703 4.4362 4.4021 PRESSURE: 3511400 -360.575 -207.406 298.739 -207.405 -164.116 32.0892 298.74 32.0895 -61.2121 GPRESSURE: 3511400 -271.875 -189.624 381.66 -207.938 -196.965 -58.733 199.398 78.6485 -23.5711 PRESSAVG: 3511400 12.3684 -5.27598 45.0996 -5.27591 -16.2312 29.0003 45.0996 29.0003 -9.23778 GPRESSAVG: 3511400 12.3771 -5.1916 46.8877 -5.34502 -14.9424 28.633 43.7428 27.7638 -10.2382 TIMING: 3511400 CPU: 10970.7, 0.00311985/step Wall: 10970.7, 0.00311985/step, 1.29006 hours remaining, 234.511719 MB of memory in use. ENERGY: 3511400 3972.0546 20574.3071 14454.1123 253.9382 -203469.2599 2546.7016 0.0000 0.0000 51965.7405 -109702.4056 298.6478 -161668.1461 -109334.5521 299.0332 -195.3012 -164.1372 761877.3538 -4.3668 -4.2678 PRESSURE: 3511600 25.0401 126.984 -33.3207 126.984 161.093 -72.9743 -33.3217 -72.9746 -406.095 GPRESSURE: 3511600 44.3067 33.9243 -19.2122 17.5869 119.463 -48.5118 36.3175 -74.7819 -282.9 PRESSAVG: 3511600 66.2158 -67.3666 25.4322 -67.3666 -33.7784 -1.35647 25.4322 -1.35642 12.7671 GPRESSAVG: 3511600 67.7467 -69.6831 24.8324 -66.5295 -34.9505 -0.268204 24.6954 -2.86523 12.975 TIMING: 3511600 CPU: 10971.3, 0.0031161/step Wall: 10971.3, 0.0031161/step, 1.28834 hours remaining, 234.511719 MB of memory in use. ENERGY: 3511600 4038.0472 20584.3728 14465.3857 250.2395 -203407.5913 2541.8342 0.0000 0.0000 51925.5829 -109602.1291 298.4170 -161527.7120 -109240.1359 299.2843 -73.3205 -39.7103 760564.3934 15.0682 15.2571 PRESSURE: 3511800 -62.2717 -53.0592 -284.834 -53.0602 75.6525 135.82 -284.835 135.821 546.742 GPRESSURE: 3511800 -77.7551 11.8683 -155.306 -107.97 155.839 215.348 -264.544 109.858 535.051 PRESSAVG: 3511800 32.0222 -24.2113 -26.9557 -24.2113 -22.21 13.1977 -26.9558 13.1977 -2.70593 GPRESSAVG: 3511800 31.5498 -22.847 -27.172 -24.7451 -20.6171 12.2866 -24.2719 15.7572 -3.57702 TIMING: 3511800 CPU: 10972, 0.00311943/step Wall: 10972, 0.00311943/step, 1.28954 hours remaining, 234.511719 MB of memory in use. ENERGY: 3511800 3925.7446 20714.6219 14375.4601 249.9633 -203609.2612 2725.3828 0.0000 0.0000 52059.9707 -109558.1179 299.1894 -161618.0886 -109198.2190 299.4757 186.7075 204.3784 761815.0703 2.3687 2.4519 PRESSURE: 3512000 -56.8196 81.9374 -38.5721 81.9364 126.725 -0.936424 -38.5711 -0.937088 164.857 GPRESSURE: 3512000 -34.8156 69.9335 62.4704 51.0103 189.411 -6.08635 -130.842 115.511 169.807 PRESSAVG: 3512000 -80.0261 -43.4134 -33.9763 -43.4135 41.0816 -21.1893 -33.9762 -21.1893 26.2452 GPRESSAVG: 3512000 -80.0171 -43.1737 -34.8082 -42.5842 40.8185 -21.4338 -36.3768 -20.5701 26.6717 TIMING: 3512000 CPU: 10972.6, 0.00312043/step Wall: 10972.6, 0.00312043/step, 1.28978 hours remaining, 234.511719 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: 3512000 3987.9125 20599.1606 14416.1494 247.9479 -203897.7899 3056.0744 0.0000 0.0000 52202.2630 -109388.2821 300.0071 -161590.5451 -109022.0767 299.3056 78.2540 108.1341 762849.7688 -4.2331 -4.1756 PRESSURE: 3512200 -155.094 -90.6922 -239.346 -90.6927 -392.419 -33.1332 -239.345 -33.1341 473.61 GPRESSURE: 3512200 -166.337 -97.8615 -141.259 -149.332 -344.694 -10.8507 -269.043 -82.5558 507.606 PRESSAVG: 3512200 -24.0727 -59.3496 -31.5336 -59.3496 -11.2372 15.4491 -31.5336 15.4491 -12.032 GPRESSAVG: 3512200 -24.4418 -59.5012 -30.9691 -59.7059 -12.2167 15.2518 -28.7597 14.3848 -11.2295 TIMING: 3512200 CPU: 10973.2, 0.00309492/step Wall: 10973.2, 0.00309492/step, 1.27906 hours remaining, 234.511719 MB of memory in use. ENERGY: 3512200 4005.5115 20611.8182 14380.8603 233.9089 -203473.8832 2742.3051 0.0000 0.0000 52072.4234 -109427.0559 299.2609 -161499.4793 -109062.6620 298.7217 -24.6342 -1.1418 763256.8446 -15.7806 -15.9626 LDB: ============= START OF LOAD BALANCING ============== 10985.7 LDB: ============== END OF LOAD BALANCING =============== 10985.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10985.7 LDB: ============= START OF LOAD BALANCING ============== 10986 LDB: Largest compute 7070 load 0.030770 is 15.8% of average load 0.195181 LDB: Average compute 0.004408 is 2.3% of average load 0.195181 LDB: TIME 10986 LOAD: AVG 0.195181 MAX 0.217337 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.312 MB LDB: TIME 10986 LOAD: AVG 0.195181 MAX 0.217337 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.312 MB LDB: TIME 10986 LOAD: AVG 0.195181 MAX 0.217337 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.312 MB LDB: ============== END OF LOAD BALANCING =============== 10986 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10986 PRESSURE: 3512400 63.9216 -138.755 59.4088 -138.754 32.1222 -74.425 59.409 -74.4265 -58.0569 GPRESSURE: 3512400 72.967 -222.178 95.6337 -135.33 55.5242 -19.5557 77.6787 -130.743 -4.34666 PRESSAVG: 3512400 62.8345 -69.9133 23.583 -69.9133 -55.893 -21.6826 23.583 -21.6826 -9.52065 GPRESSAVG: 3512400 62.4192 -69.0274 24.7952 -69.6922 -54.8373 -20.402 21.0326 -22.6141 -9.84006 TIMING: 3512400 CPU: 10973.8, 0.00318402/step Wall: 10973.8, 0.00318402/step, 1.31571 hours remaining, 236.050781 MB of memory in use. ENERGY: 3512400 4003.8333 20436.6988 14446.5893 237.3789 -203336.7331 2629.6532 0.0000 0.0000 52122.3087 -109460.2708 299.5476 -161582.5796 -109091.6580 298.7054 12.6623 41.3815 761457.9669 -0.8597 -0.7527 PRESSURE: 3512600 -93.5446 5.30581 75.29 5.30603 -89.1087 -450.364 75.2899 -450.364 212.708 GPRESSURE: 3512600 -92.711 129.679 10.0436 -105.382 -65.4668 -389.751 -18.0146 -333.691 268.762 PRESSAVG: 3512600 61.106 -20.1993 -1.97682 -20.1993 -44.178 -18.939 -1.97686 -18.9389 12.582 GPRESSAVG: 3512600 61.7464 -21.1155 -3.89239 -21.5744 -45.0189 -19.2627 -1.60233 -19.532 12.5738 TIMING: 3512600 CPU: 10974.5, 0.00312172/step Wall: 10974.5, 0.00312172/step, 1.28979 hours remaining, 236.324219 MB of memory in use. ENERGY: 3512600 3926.1934 20708.8648 14413.1561 215.9857 -203064.7307 2659.6658 0.0000 0.0000 51629.4222 -109511.4426 296.7150 -161140.8648 -109149.5993 298.9778 10.0183 36.8615 762669.8923 9.8367 9.7671 PRESSURE: 3512800 -369.036 -121.834 243.542 -121.834 153.357 403.787 243.543 403.788 207.269 GPRESSURE: 3512800 -249.021 -141.702 314.321 -140.288 103.675 300.641 247.285 250.65 221.409 PRESSAVG: 3512800 -47.3215 -28.8662 -27.7325 -28.8661 -15.9621 4.77742 -27.7325 4.77745 -15.6068 GPRESSAVG: 3512800 -47.521 -27.3387 -29.1276 -27.6817 -14.9961 4.12286 -26.7333 5.42537 -15.6767 TIMING: 3512800 CPU: 10975.1, 0.00310951/step Wall: 10975.1, 0.00310951/step, 1.28457 hours remaining, 236.390625 MB of memory in use. ENERGY: 3512800 3984.9003 20684.0425 14334.5986 256.4197 -203434.0764 2877.2825 0.0000 0.0000 51753.8741 -109542.9588 297.4302 -161296.8330 -109194.0825 298.5795 -2.8032 25.3541 762374.7814 -26.2968 -26.0646 PRESSURE: 3513000 -45.3605 45.6217 -47.8012 45.6211 167.348 -163.324 -47.8019 -163.323 -200.67 GPRESSURE: 3513000 7.11083 24.9791 -6.11483 -10.8945 163.618 -169.753 -50.6914 -335.508 -160.034 PRESSAVG: 3513000 0.723448 0.573351 -23.1215 0.57337 44.9244 22.3576 -23.1215 22.3577 -0.0847243 GPRESSAVG: 3513000 0.462304 1.24191 -22.8918 -0.627915 43.8614 23.0202 -21.5828 20.4818 1.34205 TIMING: 3513000 CPU: 10975.7, 0.0031121/step Wall: 10975.7, 0.0031121/step, 1.28547 hours remaining, 236.390625 MB of memory in use. ENERGY: 3513000 3958.7225 20359.4547 14433.1497 237.6860 -203300.2213 2628.7350 0.0000 0.0000 51910.4771 -109771.9963 298.3302 -161682.4734 -109407.7906 298.5782 -26.2275 3.5649 762228.8984 15.1877 15.2219 PRESSURE: 3513200 -4.02323 1.00348 -122.123 1.00298 170.077 -232.905 -122.122 -232.904 136.265 GPRESSURE: 3513200 49.432 -30.8345 -71.3642 -21.2721 204.538 -219.3 -166.4 -129.754 150.219 PRESSAVG: 3513200 -2.34303 -15.9071 -63.3543 -15.9071 7.8189 -41.8415 -63.3543 -41.8414 1.00913 GPRESSAVG: 3513200 -2.89446 -17.7589 -60.397 -16.1338 9.1428 -41.6005 -65.8731 -40.5047 -0.110659 TIMING: 3513200 CPU: 10976.3, 0.00310615/step Wall: 10976.3, 0.00310615/step, 1.28284 hours remaining, 236.390625 MB of memory in use. ENERGY: 3513200 3970.8211 20327.6557 14478.6046 239.2193 -203592.0054 2887.7919 0.0000 0.0000 51990.3591 -109697.5537 298.7893 -161687.9127 -109342.0713 298.2871 100.7730 134.7299 763042.0058 2.1617 2.0459 PRESSURE: 3513400 -287.1 -224.263 165.404 -224.262 132.785 -67.6156 165.404 -67.6153 145.044 GPRESSURE: 3513400 -187.655 -250.783 175.542 -125.525 47.8999 22.7976 313.411 2.38108 189.649 PRESSAVG: 3513400 19.3691 27.1303 -29.7584 27.1303 -16.2487 -48.949 -29.7584 -48.949 24.2004 GPRESSAVG: 3513400 20.8297 28.5506 -31.6431 26.2565 -17.5361 -49.4994 -28.6757 -48.4953 24.3751 TIMING: 3513400 CPU: 10976.9, 0.00308446/step Wall: 10976.9, 0.00308446/step, 1.27371 hours remaining, 236.390625 MB of memory in use. ENERGY: 3513400 3965.2632 20414.4224 14424.2506 251.9497 -203344.4468 2621.4764 0.0000 0.0000 51870.4415 -109796.6430 298.1001 -161667.0844 -109438.4182 297.7336 -3.0904 16.6313 762803.2080 9.1069 9.2229 PRESSURE: 3513600 457.042 -219.681 84.9287 -219.68 -252.47 32.0617 84.9288 32.0629 327.564 GPRESSURE: 3513600 455.507 -117.651 62.839 -156.153 -151.996 65.2801 41.1586 9.57684 295.323 PRESSAVG: 3513600 -20.9892 -41.9074 7.89953 -41.9074 -0.555501 -20.483 7.89958 -20.4831 -7.47736 GPRESSAVG: 3513600 -22.6473 -42.2092 8.92106 -39.2108 0.738054 -20.2141 5.97704 -20.1973 -7.67295 TIMING: 3513600 CPU: 10977.6, 0.00308504/step Wall: 10977.6, 0.00308503/step, 1.27378 hours remaining, 236.390625 MB of memory in use. ENERGY: 3513600 3987.1484 20499.0886 14511.6876 261.7257 -203303.0188 2693.3726 0.0000 0.0000 51734.7342 -109615.2617 297.3202 -161349.9959 -109257.7736 298.1641 177.3787 199.6111 762035.6919 -9.6740 -9.8607 PRESSURE: 3513800 -122.043 122.255 -128.483 122.255 -333.601 -190.535 -128.483 -190.535 -243.687 GPRESSURE: 3513800 -199.417 50.4823 -128.269 123.636 -158.063 -238.293 -175.968 -177.551 -253.474 PRESSAVG: 3513800 -26.1754 -25.4477 -3.34015 -25.4477 3.92017 -60.3171 -3.3401 -60.3171 -10.3137 GPRESSAVG: 3513800 -26.1014 -26.6868 -5.73798 -24.8326 3.77972 -61.8559 -0.934026 -60.6528 -9.57894 TIMING: 3513800 CPU: 10978.2, 0.00311472/step Wall: 10978.2, 0.00311472/step, 1.28586 hours remaining, 236.390625 MB of memory in use. ENERGY: 3513800 3983.4385 20616.2202 14386.7032 266.3964 -203427.2118 2733.1705 0.0000 0.0000 52046.5023 -109394.7806 299.1120 -161441.2829 -109041.5977 298.5092 -233.1102 -203.6514 762775.6951 -10.8563 -10.6335 PRESSURE: 3514000 51.8612 -82.6427 47.5718 -82.6427 28.1648 -30.7113 47.5727 -30.7106 -163.681 GPRESSURE: 3514000 146.481 -93.047 88.1648 -135.047 57.7698 -23.9826 64.2426 32.4989 -201.18 PRESSAVG: 3514000 16.551 -64.0763 -22.467 -64.0764 -48.6735 2.24322 -22.467 2.24321 8.66243 GPRESSAVG: 3514000 17.9222 -63.6186 -19.9371 -65.949 -49.4567 4.36987 -22.8998 3.21539 8.06673 TIMING: 3514000 CPU: 10978.8, 0.00310862/step Wall: 10978.8, 0.00310862/step, 1.28317 hours remaining, 236.390625 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: 3514000 4056.5879 20423.7778 14443.6748 250.2712 -203513.4470 2684.0619 0.0000 0.0000 52105.5131 -109549.5604 299.4511 -161655.0736 -109187.6647 298.7949 -27.8849 1.0233 762585.5834 -7.8200 -7.8226 PRESSURE: 3514200 4.77352 124.108 -144.13 124.107 277.078 -18.7775 -144.13 -18.7774 -168.962 GPRESSURE: 3514200 126.405 140.658 -108.691 155.628 249.294 16.3175 -178.793 -116.61 -180.918 PRESSAVG: 3514200 13.1172 -16.0727 -36.1081 -16.0728 4.33954 -4.38292 -36.1081 -4.38291 -4.03148 GPRESSAVG: 3514200 12.8156 -14.6339 -37.2675 -18.0804 5.30708 -4.55556 -37.7532 -5.87811 -4.28914 TIMING: 3514200 CPU: 10979.4, 0.00311535/step Wall: 10979.4, 0.00311535/step, 1.28577 hours remaining, 236.390625 MB of memory in use. ENERGY: 3514200 3949.2669 20511.6434 14471.3537 249.9640 -203558.8522 2603.8567 0.0000 0.0000 52027.2076 -109745.5599 299.0011 -161772.7675 -109383.9156 298.5372 37.6298 64.9271 761855.5802 4.4751 4.6112 PRESSURE: 3514400 426.813 -40.658 -9.37082 -40.6574 100.011 -101.238 -9.37056 -101.238 -197.884 GPRESSURE: 3514400 398.063 22.446 16.632 -23.4993 185.95 -26.8358 -19.4648 -114.619 -172.096 PRESSAVG: 3514400 28.2132 10.7598 -29.0038 10.7598 -5.40392 -9.95355 -29.0037 -9.95355 -13.0021 GPRESSAVG: 3514400 27.7473 8.45867 -27.9329 13.6974 -4.19011 -10.4834 -29.3999 -9.59211 -13.701 TIMING: 3514400 CPU: 10980, 0.00310332/step Wall: 10980, 0.00310332/step, 1.28064 hours remaining, 236.390625 MB of memory in use. ENERGY: 3514400 3944.9000 20505.0881 14407.6346 241.8315 -204233.9313 3189.7584 0.0000 0.0000 52423.1980 -109521.5205 301.2768 -161944.7185 -109151.5067 298.7182 109.6465 137.3057 762477.3041 3.2691 3.2854 PRESSURE: 3514600 -363.826 4.26913 103.946 4.26893 -195.352 -13.1976 103.946 -13.1977 -195.486 GPRESSURE: 3514600 -289.84 2.16127 68.1117 29.952 -221.32 109.631 81.4233 -157.227 -179.34 PRESSAVG: 3514600 -1.55562 13.2413 -24.908 13.2414 13.9149 -17.3065 -24.908 -17.3065 12.0658 GPRESSAVG: 3514600 -1.88559 13.4224 -24.6476 13.8914 13.2618 -16.9663 -25.2117 -17.7627 13.3615 TIMING: 3514600 CPU: 10980.7, 0.00311441/step Wall: 10980.7, 0.00311441/step, 1.28504 hours remaining, 236.390625 MB of memory in use. ENERGY: 3514600 3991.4103 20592.5476 14452.6887 248.3310 -203861.9993 2955.1027 0.0000 0.0000 51913.3909 -109708.5282 298.3470 -161621.9190 -109340.7119 298.5555 -251.5545 -230.1666 764395.1915 8.1417 8.2459 PRESSURE: 3514800 -251.23 45.8328 218.225 45.8325 264.774 -318.38 218.226 -318.381 300.175 GPRESSURE: 3514800 -196.761 51.9494 152.493 -28.8739 265.469 -277.079 196.964 -234.724 318.764 PRESSAVG: 3514800 -6.61656 0.293964 -43.7107 0.293955 -23.1455 -0.783644 -43.7106 -0.783561 3.04631 GPRESSAVG: 3514800 -5.17942 0.711563 -44.1753 0.542276 -24.0553 -2.30114 -43.6493 2.00479 2.30042 TIMING: 3514800 CPU: 10981.3, 0.00309722/step Wall: 10981.3, 0.00309722/step, 1.27778 hours remaining, 236.390625 MB of memory in use. ENERGY: 3514800 4035.2978 20561.2324 14385.6908 240.2230 -203972.0862 3138.9295 0.0000 0.0000 51984.6650 -109626.0477 298.7566 -161610.7127 -109268.5990 298.5575 104.5730 129.1572 762186.7286 -8.9052 -8.9781 PRESSURE: 3515000 394.858 6.88816 170.93 6.88789 65.4671 266.006 170.93 266.006 -138.369 GPRESSURE: 3515000 329.552 -142.911 182.219 -79.6244 174.398 275.487 160.536 232.339 -103.387 PRESSAVG: 3515000 29.0339 -53.8466 -35.4194 -53.8465 -37.3747 -4.20529 -35.4193 -4.20526 -0.158571 GPRESSAVG: 3515000 26.8849 -55.0237 -35.2928 -55.6862 -37.1102 -1.8861 -34.5537 -8.46154 1.36123 TIMING: 3515000 CPU: 10981.9, 0.00310339/step Wall: 10981.9, 0.00310339/step, 1.28015 hours remaining, 236.390625 MB of memory in use. ENERGY: 3515000 3974.4259 20544.7589 14422.7343 228.1528 -203116.4983 2628.2831 0.0000 0.0000 51834.8261 -109483.3172 297.8955 -161318.1433 -109126.8563 298.7401 107.3188 133.5211 763010.7610 -2.8331 -2.9547 PRESSURE: 3515200 -16.2127 -47.9984 236.093 -47.998 229.741 -227.119 236.094 -227.119 141.344 GPRESSURE: 3515200 108.864 10.4797 227.335 11.508 204.222 -204.697 249.964 -208.636 134.069 PRESSAVG: 3515200 55.3814 -53.1856 11.004 -53.1856 -44.9634 -0.329513 11.0039 -0.329476 -12.5357 GPRESSAVG: 3515200 57.1196 -50.7675 10.9181 -51.6313 -45.4591 -0.761705 12.8033 2.46119 -14.3428 TIMING: 3515200 CPU: 10982.5, 0.00313425/step Wall: 10982.5, 0.00313425/step, 1.2927 hours remaining, 236.390625 MB of memory in use. ENERGY: 3515200 3942.1346 20569.8983 14404.4675 231.3909 -203282.0664 2680.4299 0.0000 0.0000 52010.6478 -109443.0974 298.9059 -161453.7452 -109081.7958 298.6309 118.2907 149.0516 762479.2169 -0.7059 -0.8941 PRESSURE: 3515400 -127.2 -93.4632 114.356 -93.4625 -254.255 96.3232 114.355 96.3242 -382.129 GPRESSURE: 3515400 -173.185 4.78694 16.7552 -119.472 -170.073 73.0795 180.635 34.0038 -316.365 PRESSAVG: 3515400 5.85377 -93.4408 20.8786 -93.4408 24.9606 -6.50837 20.8787 -6.50843 -11.9969 GPRESSAVG: 3515400 5.00739 -94.7566 20.8223 -94.5793 24.7241 -5.82421 19.843 -8.18163 -10.6478 TIMING: 3515400 CPU: 10983.2, 0.00311953/step Wall: 10983.2, 0.00311953/step, 1.28646 hours remaining, 236.390625 MB of memory in use. ENERGY: 3515400 4029.6515 20551.8835 14436.0879 251.6653 -203316.6799 2624.0624 0.0000 0.0000 51827.2012 -109596.1281 297.8516 -161423.3292 -109233.4971 298.5109 -254.5278 -219.8745 762691.3738 6.2725 6.3612 PRESSURE: 3515600 -58.1011 -40.6666 -144.11 -40.6658 -156.978 47.4717 -144.11 47.4697 -548.529 GPRESSURE: 3515600 -34.2052 -153.138 -62.2677 -85.4979 -95.287 42.5268 -124.237 -69.5199 -530.652 PRESSAVG: 3515600 -24.2195 -89.4533 19.0978 -89.4533 33.8622 10.2372 19.0978 10.2372 -16.2866 GPRESSAVG: 3515600 -23.4416 -91.6527 19.0517 -87.4082 34.7496 9.14898 19.2741 12.9191 -17.0337 TIMING: 3515600 CPU: 10983.8, 0.00311751/step Wall: 10983.8, 0.00311751/step, 1.28545 hours remaining, 236.390625 MB of memory in use. ENERGY: 3515600 3968.8469 20529.5913 14484.4933 256.7026 -203150.1421 2584.1942 0.0000 0.0000 51811.4425 -109514.8712 297.7611 -161326.3137 -109151.4633 298.2348 -254.5359 -220.0481 763910.6241 -2.2146 -1.9086 PRESSURE: 3515800 10.6476 -273.771 98.8018 -273.77 104.951 47.347 98.8031 47.3472 386.761 GPRESSURE: 3515800 63.187 -98.7455 97.498 -230.327 154.584 30.0092 -2.08472 74.7142 365.536 PRESSAVG: 3515800 -9.82447 -41.6575 17.385 -41.6575 -32.7736 18.9788 17.3851 18.9788 -16.4597 GPRESSAVG: 3515800 -11.0392 -39.494 16.3541 -42.6342 -32.0449 20.1755 16.8796 17.2487 -16.7134 TIMING: 3515800 CPU: 10984.4, 0.0031149/step Wall: 10984.4, 0.0031149/step, 1.2842 hours remaining, 236.390625 MB of memory in use. ENERGY: 3515800 3991.8196 20502.8578 14481.8993 236.2701 -203186.3467 2576.5121 0.0000 0.0000 51771.4236 -109625.5643 297.5311 -161396.9878 -109269.5936 298.2540 167.4530 194.4357 763391.4755 -19.6859 -19.9325 PRESSURE: 3516000 14.7198 -151.797 25.8368 -151.798 -57.7164 -72.5488 25.8365 -72.5489 291.782 GPRESSURE: 3516000 57.7987 -123.409 0.329253 6.5757 -31.629 -21.7587 -73.354 -29.2694 298.744 PRESSAVG: 3516000 -20.4264 4.39043 -36.0116 4.39041 28.9652 -13.4998 -36.0117 -13.4998 1.19191 GPRESSAVG: 3516000 -20.1178 3.44729 -33.7962 3.64072 27.5499 -13.0409 -38.1858 -14.194 1.57083 TIMING: 3516000 CPU: 10985, 0.00313698/step Wall: 10985, 0.00313699/step, 1.29314 hours remaining, 236.390625 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: 3516000 4024.6328 20459.4468 14426.3240 252.0493 -203655.6448 2985.2387 0.0000 0.0000 51789.5487 -109718.4045 297.6352 -161507.9532 -109351.7901 297.9699 82.9286 108.3045 763344.0461 3.2436 3.0010 PRESSURE: 3516200 443.608 48.0782 -137.627 48.0785 -134.394 170.364 -137.626 170.365 473.693 GPRESSURE: 3516200 396.181 -43.9885 -138.931 86.9853 90.8075 164.49 -229.134 93.0261 371.368 PRESSAVG: 3516200 42.9845 2.32684 -39.4263 2.32678 -9.30855 32.8284 -39.4263 32.8284 -11.3533 GPRESSAVG: 3516200 43.7241 3.09687 -41.5069 4.62915 -7.50462 31.0507 -40.0674 35.6914 -13.1466 TIMING: 3516200 CPU: 10985.7, 0.00313598/step Wall: 10985.7, 0.00313598/step, 1.29254 hours remaining, 236.390625 MB of memory in use. ENERGY: 3516200 3987.5303 20620.4708 14462.5765 253.1274 -203942.0748 3024.8694 0.0000 0.0000 51873.9476 -109719.5527 298.1203 -161593.5003 -109364.5920 298.3632 260.9689 286.1187 761804.2000 7.4409 7.6909 LDB: ============= START OF LOAD BALANCING ============== 10998.1 LDB: ============== END OF LOAD BALANCING =============== 10998.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10998.1 LDB: ============= START OF LOAD BALANCING ============== 10998.5 LDB: Largest compute 7070 load 0.029240 is 15.0% of average load 0.195240 LDB: Average compute 0.004404 is 2.3% of average load 0.195240 LDB: TIME 10998.5 LOAD: AVG 0.19524 MAX 0.214534 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.352 MB LDB: TIME 10998.5 LOAD: AVG 0.19524 MAX 0.214534 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.352 MB LDB: TIME 10998.5 LOAD: AVG 0.19524 MAX 0.214534 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.352 MB LDB: ============== END OF LOAD BALANCING =============== 10998.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10998.5 PRESSURE: 3516400 -122.49 66.0713 -70.0102 66.0709 -208.543 118.193 -70.01 118.193 -342.948 GPRESSURE: 3516400 -86.7106 99.5384 -8.50156 60.537 -173.84 174.678 -46.3578 42.7664 -334.899 PRESSAVG: 3516400 50.4697 -65.3503 -26.8878 -65.3503 8.8433 59.0015 -26.8879 59.0016 -16.5961 GPRESSAVG: 3516400 49.1033 -64.6907 -27.746 -67.233 8.57166 59.9036 -22.9811 54.6509 -14.9001 TIMING: 3516400 CPU: 10986.3, 0.00319971/step Wall: 10986.3, 0.00319971/step, 1.31864 hours remaining, 236.046875 MB of memory in use. ENERGY: 3516400 4039.8620 20420.1777 14416.1786 236.2800 -203076.3978 2394.5343 0.0000 0.0000 51835.6607 -109733.7045 297.9003 -161569.3652 -109364.7814 298.3999 -224.6603 -198.4829 762008.0607 14.2390 14.2583 PRESSURE: 3516600 -162.973 -22.0975 67.8811 -22.0975 51.8369 -6.29553 67.8812 -6.2964 -170.19 GPRESSURE: 3516600 10.4851 -55.6217 40.277 -32.6173 -37.969 -39.2608 60.1946 33.3896 -164.299 PRESSAVG: 3516600 -4.95747 -73.293 30.76 -73.2929 -35.3287 33.4895 30.76 33.4895 7.31397 GPRESSAVG: 3516600 -4.22447 -74.192 33.1161 -72.7538 -35.736 33.5035 29.5611 35.3412 6.90715 TIMING: 3516600 CPU: 10986.9, 0.00311731/step Wall: 10986.9, 0.00311731/step, 1.28451 hours remaining, 236.117188 MB of memory in use. ENERGY: 3516600 3956.4498 20412.6551 14433.0016 249.2986 -203254.2373 2657.6312 0.0000 0.0000 51978.0858 -109567.1151 298.7188 -161545.2009 -109199.3312 298.3252 -93.7752 -63.9277 763644.7642 -10.9907 -11.0178 PRESSURE: 3516800 23.9502 -33.0086 197.97 -33.009 -62.6295 -11.5662 197.97 -11.5658 362.507 GPRESSURE: 3516800 195.278 -127.913 96.3883 -17.6931 -62.1153 -52.9927 177.057 20.1286 295.354 PRESSAVG: 3516800 -45.5119 -35.4184 30.9147 -35.4184 62.7544 16.9445 30.9147 16.9446 -3.0107 GPRESSAVG: 3516800 -43.7086 -35.9538 30.9268 -35.8264 61.9801 18.4 30.5802 18.2232 -3.73218 TIMING: 3516800 CPU: 10987.5, 0.00310071/step Wall: 10987.5, 0.00310071/step, 1.27749 hours remaining, 236.117188 MB of memory in use. ENERGY: 3516800 3960.0456 20378.7985 14392.8638 247.9911 -203098.3709 2826.8714 0.0000 0.0000 51805.4400 -109486.3605 297.7266 -161291.8005 -109120.4345 298.9609 107.9425 142.8390 764042.8836 4.7439 4.8465 PRESSURE: 3517000 -195.067 186.245 -36.6682 186.245 -121.128 99.5656 -36.669 99.5671 -260.813 GPRESSURE: 3517000 -173.74 151.048 2.2622 128.439 -121.552 115.699 -87.1552 138.468 -191.127 PRESSAVG: 3517000 8.59648 8.98606 0.0685891 8.98604 -9.36961 28.402 0.0686032 28.4021 -15.5892 GPRESSAVG: 3517000 7.11172 8.81244 -2.6177 9.72151 -8.73586 26.4595 -0.0749316 28.6733 -14.5958 TIMING: 3517000 CPU: 10988.2, 0.00310536/step Wall: 10988.2, 0.00310536/step, 1.27924 hours remaining, 236.117188 MB of memory in use. ENERGY: 3517000 4007.9552 20556.4143 14420.2272 247.8100 -203253.4753 2630.5815 0.0000 0.0000 51761.3012 -109629.1858 297.4729 -161390.4871 -109265.9140 298.4489 -192.3359 -162.1398 762242.5790 -5.4541 -5.4066 PRESSURE: 3517200 -5.56797 91.0422 -62.3662 91.0422 161.943 -63.4983 -62.3665 -63.4983 61.4129 GPRESSURE: 3517200 55.6429 178.818 -70.8676 22.3529 184.99 -11.4681 59.2161 -107.034 72.6833 PRESSAVG: 3517200 -4.85502 58.5389 -17.131 58.5389 10.7028 49.8496 -17.1311 49.8495 15.3207 GPRESSAVG: 3517200 -4.26785 61.2348 -16.9499 56.8247 9.93709 49.8901 -16.133 51.2815 15.1279 TIMING: 3517200 CPU: 10988.8, 0.00310666/step Wall: 10988.8, 0.00310666/step, 1.2796 hours remaining, 236.117188 MB of memory in use. ENERGY: 3517200 3974.3277 20384.9333 14433.8601 243.4241 -203390.6386 2748.2501 0.0000 0.0000 51718.6201 -109887.2231 297.2276 -161605.8432 -109526.6550 297.9634 72.5959 104.4386 760897.0115 7.0561 6.9324 PRESSURE: 3517400 26.5767 -128.288 159.542 -128.287 -230.658 77.0767 159.542 77.0762 129.458 GPRESSURE: 3517400 -5.43776 -77.8977 85.5267 -114.045 -150.789 68.1607 119.484 116.168 156.713 PRESSAVG: 3517400 65.1429 55.7837 12.9619 55.7836 11.7856 -15.9912 12.9619 -15.9912 -1.63166 GPRESSAVG: 3517400 65.2063 53.3681 12.5756 55.6869 11.0725 -15.4315 11.3434 -15.4152 -0.815539 TIMING: 3517400 CPU: 10989.4, 0.00312437/step Wall: 10989.4, 0.00312437/step, 1.28672 hours remaining, 236.117188 MB of memory in use. ENERGY: 3517400 3903.3043 20490.6919 14459.3278 253.2104 -203031.2778 2518.5963 0.0000 0.0000 51635.3994 -109770.7476 296.7494 -161406.1470 -109413.1223 297.6555 -24.8746 0.1619 762391.4029 25.0989 25.1544 PRESSURE: 3517600 -303.056 23.4957 196.305 23.4962 -108.615 257.466 196.306 257.467 -392.026 GPRESSURE: 3517600 -293.003 110.637 95.0904 61.6952 -95.4292 224.479 143.926 228.174 -327.496 PRESSAVG: 3517600 -24.4489 -75.6809 57.0341 -75.6809 -11.7344 14.2389 57.0341 14.2388 12.097 GPRESSAVG: 3517600 -25.3755 -75.7126 57.8357 -75.9833 -10.362 14.6846 56.4542 11.8607 11.1763 TIMING: 3517600 CPU: 10990, 0.00310087/step Wall: 10990, 0.00310087/step, 1.27687 hours remaining, 236.117188 MB of memory in use. ENERGY: 3517600 3958.6949 20466.6445 14446.2726 241.5345 -202721.5165 2253.7112 0.0000 0.0000 51829.8492 -109524.8096 297.8669 -161354.6587 -109162.4425 297.8923 -267.8989 -238.6427 763039.0938 -8.0288 -8.1871 PRESSURE: 3517800 90.7047 -214.775 55.7585 -214.774 -103.87 -247.358 55.7571 -247.358 62.8323 GPRESSURE: 3517800 153.013 -270.338 -8.29361 -126.555 -119.686 -222.892 148.791 -214.908 107.613 PRESSAVG: 3517800 -23.3615 -18.8539 10.4239 -18.854 -36.5341 -2.00911 10.4239 -2.00905 -13.6891 GPRESSAVG: 3517800 -23.3507 -18.4438 9.52259 -17.5256 -35.7968 -3.6468 11.1576 -1.30894 -13.6429 TIMING: 3517800 CPU: 10990.7, 0.00310872/step Wall: 10990.7, 0.00310872/step, 1.27993 hours remaining, 236.117188 MB of memory in use. ENERGY: 3517800 4019.5084 20619.1417 14442.2799 247.8821 -203263.4374 2726.7962 0.0000 0.0000 51768.6766 -109439.1524 297.5153 -161207.8291 -109089.0931 298.6474 16.5555 46.9798 761372.1382 -24.5282 -24.2635 PRESSURE: 3518000 58.6044 15.3781 191.566 15.3782 215.31 101.927 191.565 101.928 159.996 GPRESSURE: 3518000 48.9824 -3.8725 170.998 -40.4403 314.261 130.548 259.202 5.62813 171.088 PRESSAVG: 3518000 -26.8257 -40.2826 43.9105 -40.2826 26.6806 9.9483 43.9105 9.94829 7.5128 GPRESSAVG: 3518000 -26.6362 -41.5128 45.3113 -39.3797 25.5574 9.87518 46.0955 9.06135 8.85591 TIMING: 3518000 CPU: 10991.3, 0.00309182/step Wall: 10991.3, 0.00309182/step, 1.2728 hours remaining, 236.117188 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: 3518000 4053.4608 20392.8173 14384.1858 245.0808 -203388.3264 2920.4672 0.0000 0.0000 51887.1659 -109505.1487 298.1963 -161392.3146 -109145.5011 298.5766 144.6366 178.1104 760550.0264 2.4559 2.5924 PRESSURE: 3518200 -25.6566 234.29 82.8999 234.29 -380.915 -100.149 82.8996 -100.149 -108.038 GPRESSURE: 3518200 21.538 196.877 77.7395 -3.99566 -354.197 -141.894 11.406 -24.7806 -65.8955 PRESSAVG: 3518200 8.22969 6.93756 -15.8874 6.9375 -8.41837 15.8546 -15.8874 15.8546 6.12324 GPRESSAVG: 3518200 9.2591 7.77367 -16.6587 4.87897 -8.47253 17.8578 -18.2446 15.0274 5.60903 TIMING: 3518200 CPU: 10991.9, 0.00309272/step Wall: 10991.9, 0.00309272/step, 1.273 hours remaining, 236.117188 MB of memory in use. ENERGY: 3518200 3951.8036 20269.1732 14446.5234 280.1914 -202989.9124 2468.4186 0.0000 0.0000 51993.2317 -109580.5705 298.8058 -161573.8021 -109221.5274 298.4764 -171.5365 -132.8514 763225.2241 1.9782 2.1319 PRESSURE: 3518400 221.521 -115.053 -240.654 -115.053 -252.586 -92.003 -240.653 -92.0025 144.257 GPRESSURE: 3518400 252.881 -122.726 -223.037 -219.478 -205.333 -103.748 -122.502 -18.4551 149.653 PRESSAVG: 3518400 -42.5327 4.49855 20.122 4.49856 13.3389 76.0084 20.1221 76.0084 2.73828 GPRESSAVG: 3518400 -42.4234 3.05057 20.4707 3.19704 13.4776 74.0169 17.9723 78.5365 2.22416 TIMING: 3518400 CPU: 10992.5, 0.00311359/step Wall: 10992.5, 0.00311359/step, 1.28142 hours remaining, 236.117188 MB of memory in use. ENERGY: 3518400 3997.4581 20448.3189 14453.5178 269.9679 -203480.5532 2677.4336 0.0000 0.0000 52184.9912 -109448.8657 299.9079 -161633.8569 -109073.7497 298.9940 37.7304 65.7337 763298.1230 -8.8185 -8.9072 PRESSURE: 3518600 346.532 86.6587 -10.5108 86.6593 114.454 88.3666 -10.5093 88.3671 -105.812 GPRESSURE: 3518600 320.984 74.3005 -78.4461 203.088 163.895 70.2042 43.064 85.4298 -62.8326 PRESSAVG: 3518600 62.4567 -8.53448 -61.7366 -8.53439 -4.21622 -11.0033 -61.7366 -11.0033 29.0818 GPRESSAVG: 3518600 63.1195 -6.10798 -62.2743 -6.41568 -4.75752 -10.3695 -61.5194 -11.4093 28.8999 TIMING: 3518600 CPU: 10993.1, 0.00311271/step Wall: 10993.1, 0.00311271/step, 1.28088 hours remaining, 236.117188 MB of memory in use. ENERGY: 3518600 3971.7548 20596.5573 14403.7301 242.8184 -203517.1990 2742.1828 0.0000 0.0000 52084.8415 -109475.3141 299.3323 -161560.1556 -109106.3044 298.9733 118.3914 140.6821 763561.4160 29.1074 29.0873 PRESSURE: 3518800 92.0318 163.708 127.188 163.707 -107.47 58.5396 127.188 58.5385 210.301 GPRESSURE: 3518800 110.51 126.528 201.864 112.597 -57.8802 43.7986 87.6231 63.4078 227.864 PRESSAVG: 3518800 4.57795 33.5108 -26.3863 33.5109 30.3669 -20.6434 -26.3864 -20.6435 -2.71134 GPRESSAVG: 3518800 3.30561 32.4884 -25.5747 31.9344 30.8501 -20.3853 -24.8102 -21.1022 -1.79336 TIMING: 3518800 CPU: 10993.8, 0.00310799/step Wall: 10993.8, 0.00310799/step, 1.27877 hours remaining, 236.117188 MB of memory in use. ENERGY: 3518800 4018.0426 20424.3792 14462.5976 258.2886 -204062.9541 3136.9216 0.0000 0.0000 52347.5150 -109415.2095 300.8419 -161762.7245 -109048.6067 299.0091 64.9541 93.4979 762692.3198 10.7445 10.7874 PRESSURE: 3519000 -226.911 -379.13 49.662 -379.131 193.03 -129.727 49.6616 -129.726 -341.754 GPRESSURE: 3519000 -122.822 -172.095 129.414 -363.192 197.647 -107.795 53.6365 -74.5976 -345.392 PRESSAVG: 3519000 -23.8779 8.32423 16.9962 8.32417 33.0618 -46.0747 16.9962 -46.0748 3.91712 GPRESSAVG: 3519000 -24.2872 8.54048 15.0488 9.70875 34.1044 -45.7639 18.3216 -46.1543 3.22172 TIMING: 3519000 CPU: 10994.4, 0.00310854/step Wall: 10994.4, 0.00310854/step, 1.27882 hours remaining, 236.117188 MB of memory in use. ENERGY: 3519000 4006.7157 20604.4197 14539.9636 223.5427 -203451.8452 2803.1309 0.0000 0.0000 52139.8504 -109134.2221 299.6484 -161274.0725 -108766.1499 299.3642 -125.2116 -90.1888 762289.3352 4.3670 4.3463 PRESSURE: 3519200 141.7 -50.9502 -117.463 -50.95 203.035 29.9495 -117.463 29.9489 98.5012 GPRESSURE: 3519200 231.66 -29.3018 -128.241 -51.753 171.309 61.2465 -102.715 -45.7674 122.471 PRESSAVG: 3519200 -25.1937 -44.9377 -21.3854 -44.9376 30.7076 4.87239 -21.3853 4.8723 -12.651 GPRESSAVG: 3519200 -25.581 -47.054 -19.9715 -42.8185 30.6475 4.26107 -22.9196 3.22336 -12.2167 TIMING: 3519200 CPU: 10995, 0.00311137/step Wall: 10995, 0.00311137/step, 1.27981 hours remaining, 236.117188 MB of memory in use. ENERGY: 3519200 4009.5662 20595.3200 14440.7456 247.0635 -203504.9774 2867.9972 0.0000 0.0000 52065.9174 -109278.3675 299.2235 -161344.2850 -108912.9461 299.6471 147.7453 175.1465 760965.0137 -2.3790 -2.3834 PRESSURE: 3519400 -228.234 169.659 23.5285 169.659 217.73 12.9866 23.5281 12.9865 60.4131 GPRESSURE: 3519400 -100.671 34.0802 105.1 149.172 185.024 -6.20331 9.51276 -47.6118 66.882 PRESSAVG: 3519400 -0.0158009 -5.28313 15.1721 -5.28317 20.3855 -4.12885 15.1721 -4.12895 -5.17537 GPRESSAVG: 3519400 -0.0877682 -6.62472 13.9372 -5.75244 20.2168 -4.39559 15.1956 -2.09649 -4.66828 TIMING: 3519400 CPU: 10995.6, 0.0031125/step Wall: 10995.6, 0.0031125/step, 1.2801 hours remaining, 236.117188 MB of memory in use. ENERGY: 3519400 4099.9099 20535.6287 14420.0984 237.3866 -203158.1927 2652.3356 0.0000 0.0000 52071.8596 -109140.9740 299.2577 -161212.8335 -108776.2063 299.5008 16.6362 50.4116 761902.1268 5.0648 5.1536 PRESSURE: 3519600 27.3277 -43.5316 125.738 -43.5318 139.772 128.031 125.739 128.032 -139.987 GPRESSURE: 3519600 37.1481 -29.4888 154.058 -44.9744 135 134.328 148.078 -48.5038 -78.1758 PRESSAVG: 3519600 -28.7585 28.3421 38.4293 28.3422 41.7003 -21.7803 38.4293 -21.7802 27.8952 GPRESSAVG: 3519600 -28.8669 30.1862 39.0781 27.6526 41.3903 -20.8007 39.5117 -23.4379 28.266 TIMING: 3519600 CPU: 10996.2, 0.00311284/step Wall: 10996.2, 0.00311284/step, 1.28007 hours remaining, 236.117188 MB of memory in use. ENERGY: 3519600 4011.3797 20550.2760 14398.6995 246.0048 -203409.3604 2461.8322 0.0000 0.0000 52466.4401 -109274.7281 301.5254 -161741.1682 -108911.4373 299.9605 9.0375 31.3241 761726.1728 13.6124 13.5964 PRESSURE: 3519800 288.398 97.2434 135.7 97.2431 61.1315 98.414 135.699 98.4139 406.698 GPRESSURE: 3519800 306.52 84.3039 86.3295 123.963 204.538 226.447 101.287 55.3612 316.618 PRESSAVG: 3519800 -54.3175 -16.6398 10.7636 -16.6399 29.6734 -26.2067 10.7636 -26.2067 25.3392 GPRESSAVG: 3519800 -52.8482 -16.5017 12.1563 -16.9929 30.1867 -27.3962 9.26021 -24.2427 23.4011 TIMING: 3519800 CPU: 10996.9, 0.00311085/step Wall: 10996.9, 0.00311085/step, 1.27908 hours remaining, 236.117188 MB of memory in use. ENERGY: 3519800 4006.1894 20344.0504 14412.6243 238.8717 -203508.6145 2925.1531 0.0000 0.0000 52364.1055 -109217.6199 300.9372 -161581.7255 -108851.8615 300.1732 252.0757 275.8921 761764.0127 0.2317 0.2465 PRESSURE: 3520000 153.891 -116.02 -103.924 -116.021 -13.4098 41.3836 -103.925 41.3839 12.5562 GPRESSURE: 3520000 145.756 -64.7861 -173.812 -115.917 19.7102 54.1321 -9.74826 21.8708 56.4256 PRESSAVG: 3520000 26.6544 43.8983 32.229 43.8982 -7.79508 8.34746 32.2291 8.34747 3.68802 GPRESSAVG: 3520000 25.3715 43.2462 29.9364 44.3715 -8.76481 8.86148 30.7037 8.63671 5.7204 TIMING: 3520000 CPU: 10997.5, 0.00311248/step Wall: 10997.5, 0.00311248/step, 1.27958 hours remaining, 236.117188 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: 3520000 4047.6225 20511.7586 14438.0382 239.6669 -203558.7461 2788.8354 0.0000 0.0000 52149.9280 -109382.8965 299.7064 -161532.8245 -109026.4298 299.9261 51.0126 73.9638 761024.1362 7.5158 7.4424 PRESSURE: 3520200 -266.926 -236.122 -78.0945 -236.122 -396.082 295.871 -78.0945 295.87 -318.002 GPRESSURE: 3520200 -245.67 -148.833 -22.7374 -268.308 -389.071 309.641 -106.09 157.56 -235.145 PRESSAVG: 3520200 33.4562 -39.43 -30.8408 -39.43 -46.0506 -31.1677 -30.8409 -31.1676 14.976 GPRESSAVG: 3520200 33.1413 -36.7038 -27.5229 -39.8411 -44.5888 -32.0036 -31.496 -33.0878 14.1969 TIMING: 3520200 CPU: 10998.1, 0.00311688/step Wall: 10998.1, 0.00311688/step, 1.28121 hours remaining, 236.117188 MB of memory in use. ENERGY: 3520200 4086.8428 20425.7840 14490.7173 240.6670 -203063.2758 2423.6295 0.0000 0.0000 52093.4119 -109302.2232 299.3816 -161395.6351 -108949.4802 299.1627 -327.0032 -289.9620 760880.6143 0.7939 0.9164 LDB: ============= START OF LOAD BALANCING ============== 11010.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11010.6 LDB: =============== DONE WITH MIGRATION ================ 11010.6 LDB: ============= START OF LOAD BALANCING ============== 11010.9 LDB: Largest compute 7031 load 0.030444 is 15.6% of average load 0.195196 LDB: Average compute 0.004386 is 2.2% of average load 0.195196 LDB: TIME 11010.9 LOAD: AVG 0.195196 MAX 0.212929 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.082 MB LDB: TIME 11010.9 LOAD: AVG 0.195196 MAX 0.212929 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.082 MB LDB: TIME 11010.9 LOAD: AVG 0.195196 MAX 0.212929 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.082 MB LDB: ============== END OF LOAD BALANCING =============== 11010.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11010.9 PRESSURE: 3520400 -46.5646 3.87343 326.245 3.87412 264.796 121.588 326.246 121.587 -227.672 GPRESSURE: 3520400 44.2292 -59.2319 282.376 136.598 213.36 21.6145 179.254 87.9674 -179.724 PRESSAVG: 3520400 26.1807 37.2535 0.870106 37.2534 -53.7649 13.2081 0.870109 13.2082 10.8817 GPRESSAVG: 3520400 27.3066 37.6477 -1.75564 36.9172 -54.7607 13.5003 4.26085 12.3152 11.1517 TIMING: 3520400 CPU: 10998.8, 0.0031746/step Wall: 10998.8, 0.0031746/step, 1.30476 hours remaining, 234.054688 MB of memory in use. ENERGY: 3520400 4097.8483 20526.2081 14438.4536 238.5569 -203102.3221 2614.8263 0.0000 0.0000 51883.8125 -109302.6164 298.1770 -161186.4289 -108940.6787 299.1959 -3.1468 25.9552 760924.7305 -5.5675 -5.4341 PRESSURE: 3520600 152.904 260.613 22.7044 260.613 198.933 -42.2704 22.7043 -42.2705 133.339 GPRESSURE: 3520600 169.09 169.511 45.8792 236.121 200.772 25.7968 -60.0102 -123.26 203.143 PRESSAVG: 3520600 60.0053 9.87645 23.4158 9.8764 -34.8442 12.7566 23.4158 12.7566 -9.06425 GPRESSAVG: 3520600 59.1065 5.97739 23.8226 10.5022 -34.7465 12.2689 21.8199 15.6852 -8.29188 TIMING: 3520600 CPU: 10999.4, 0.00311108/step Wall: 10999.4, 0.00311108/step, 1.27848 hours remaining, 234.257812 MB of memory in use. ENERGY: 3520600 3951.8342 20563.4411 14415.8124 268.4383 -202424.9103 2247.2352 0.0000 0.0000 51755.0138 -109223.1352 297.4368 -160978.1491 -108864.1995 299.2025 161.7254 191.0016 762902.5705 5.3656 5.3560 PRESSURE: 3520800 275.921 -50.1002 -173.899 -50.1005 -205.792 66.9571 -173.9 66.9567 -366.522 GPRESSURE: 3520800 215.243 23.0998 -165.031 -74.559 -151.394 41.8205 -224.278 27.7502 -288.139 PRESSAVG: 3520800 114.597 17.5974 -32.1283 17.5975 -84.5896 -14.2502 -32.1284 -14.2502 -1.59901 GPRESSAVG: 3520800 114.535 18.8437 -32.1017 19.3466 -84.4953 -12.9477 -30.3201 -15.7826 -1.87005 TIMING: 3520800 CPU: 11000, 0.00312631/step Wall: 11000, 0.00312631/step, 1.28457 hours remaining, 234.257812 MB of memory in use. ENERGY: 3520800 3968.1225 20467.4821 14379.5533 231.8128 -202852.0224 2392.1527 0.0000 0.0000 52112.7873 -109300.1117 299.4929 -161412.8990 -108941.6050 299.0345 -98.7976 -74.7634 762609.2620 9.4694 9.3898 PRESSURE: 3521000 -54.6354 85.854 -212.697 85.8537 -162.425 -220.016 -212.697 -220.016 301.829 GPRESSURE: 3521000 12.9229 68.9851 -99.7556 2.74654 -112.067 -145.863 -280.776 -176.964 246.984 PRESSAVG: 3521000 56.019 -3.13308 -5.72402 -3.13302 -42.4924 -10.5668 -5.72401 -10.5668 -12.9268 GPRESSAVG: 3521000 56.2574 -1.72753 -6.20946 -3.4829 -41.9588 -10.5963 -5.29268 -9.82716 -13.5722 TIMING: 3521000 CPU: 11000.6, 0.00313277/step Wall: 11000.6, 0.00313277/step, 1.28705 hours remaining, 234.257812 MB of memory in use. ENERGY: 3521000 3987.0060 20598.4158 14432.9548 237.8624 -202552.2706 2180.2347 0.0000 0.0000 51838.4330 -109277.3639 297.9162 -161115.7969 -108910.1092 299.2616 28.2563 49.2800 761188.9248 0.1999 0.2421 PRESSURE: 3521200 86.3789 -240.78 -187.931 -240.78 -318.436 -48.3737 -187.931 -48.3734 -319.822 GPRESSURE: 3521200 93.7886 -286.049 -251.663 -307.182 -293.285 -129.807 -218.192 -41.8277 -260.297 PRESSAVG: 3521200 71.5473 -19.6571 -45.7741 -19.6572 -26.1725 -7.18923 -45.7741 -7.1892 -4.03363 GPRESSAVG: 3521200 70.4102 -20.0003 -45.3319 -23.4979 -25.5744 -9.00936 -47.172 -6.31748 -3.06532 TIMING: 3521200 CPU: 11001.2, 0.00312272/step Wall: 11001.2, 0.00312272/step, 1.28275 hours remaining, 234.257812 MB of memory in use. ENERGY: 3521200 3964.4386 20454.7303 14429.4675 239.1017 -203017.4417 2564.6582 0.0000 0.0000 52004.2680 -109360.7774 298.8692 -161365.0453 -108999.2472 299.1466 -183.9597 -153.2645 760574.6243 13.7804 13.9235 PRESSURE: 3521400 220.588 275.065 76.1408 275.065 -72.4059 75.3453 76.1413 75.3458 214.501 GPRESSURE: 3521400 138.818 192.517 138.219 211.945 54.3694 -25.6032 -42.9108 68.0161 259.875 PRESSAVG: 3521400 55.7319 -15.7518 -39.4499 -15.7518 -63.2616 -8.53359 -39.4499 -8.53356 -15.4694 GPRESSAVG: 3521400 57.5115 -17.3933 -39.7863 -12.1837 -64.7278 -8.30632 -40.5355 -8.57072 -15.4433 TIMING: 3521400 CPU: 11001.9, 0.00311763/step Wall: 11001.9, 0.00311763/step, 1.28048 hours remaining, 234.257812 MB of memory in use. ENERGY: 3521400 3978.3401 20486.5293 14337.5291 253.1482 -203286.2381 2736.0717 0.0000 0.0000 52210.1842 -109284.4355 300.0526 -161494.6196 -108919.9240 299.0297 120.8944 151.0209 761761.0091 -7.6663 -7.5532 PRESSURE: 3521600 126.803 -40.1336 -130.253 -40.1335 -421.459 -257.192 -130.253 -257.191 -180.853 GPRESSURE: 3521600 118.719 -101.757 -117.618 30.8692 -316.034 -249.048 -78.8135 -107.65 -194.862 PRESSAVG: 3521600 13.1397 22.5258 19.3106 22.5257 -43.5342 -36.7448 19.3106 -36.7448 -28.4456 GPRESSAVG: 3521600 12.3071 23.9 20.1738 23.1197 -42.5562 -37.8367 21.2609 -37.3827 -28.2941 TIMING: 3521600 CPU: 11002.5, 0.00313343/step Wall: 11002.5, 0.00313343/step, 1.2868 hours remaining, 234.257812 MB of memory in use. ENERGY: 3521600 4017.4140 20393.7902 14446.1080 265.2017 -202949.9660 2429.8607 0.0000 0.0000 51889.6230 -109507.9684 298.2104 -161397.5914 -109140.0872 299.0073 -158.5028 -130.7258 761815.0335 -19.6134 -19.5144 PRESSURE: 3521800 25.4145 80.0819 -150.327 80.082 21.0611 30.7324 -150.327 30.7325 214.426 GPRESSURE: 3521800 51.0465 101.416 -85.094 201.671 33.4347 26.5643 -112.253 -14.1134 250.333 PRESSAVG: 3521800 36.1592 57.3143 -56.0561 57.3144 -22.7208 -52.3851 -56.056 -52.385 7.21145 GPRESSAVG: 3521800 34.7588 59.0254 -57.2279 54.9887 -21.0328 -52.2528 -56.4337 -51.1074 7.08887 TIMING: 3521800 CPU: 11003.1, 0.00312626/step Wall: 11003.1, 0.00312626/step, 1.28368 hours remaining, 234.257812 MB of memory in use. ENERGY: 3521800 3924.4929 20616.9633 14446.9281 250.5960 -203490.8044 2483.9920 0.0000 0.0000 52038.4498 -109729.3823 299.0657 -161767.8321 -109363.1340 298.4633 86.9673 111.6049 761592.7056 6.8833 6.9383 PRESSURE: 3522000 -199.202 -199.229 -56.0158 -199.23 200.035 -31.7341 -56.0159 -31.7346 222.452 GPRESSURE: 3522000 -130.82 -224.279 -61.8442 -57.5803 167.388 -25.7273 -48.508 11.1047 254.181 PRESSAVG: 3522000 -27.3339 -23.9552 -5.70776 -23.9551 22.5941 -64.8924 -5.70776 -64.8924 -7.86151 GPRESSAVG: 3522000 -26.4251 -27.5278 -6.02078 -20.1795 20.2308 -64.698 -6.3315 -64.3254 -6.57416 TIMING: 3522000 CPU: 11003.7, 0.00311573/step Wall: 11003.7, 0.00311573/step, 1.27918 hours remaining, 234.257812 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: 3522000 3931.9852 20483.0123 14475.3136 258.9594 -203633.0879 3109.1759 0.0000 0.0000 51777.9469 -109596.6944 297.5686 -161374.6413 -109229.7687 298.6609 74.4282 96.9161 764221.9474 -4.2004 -4.2562 PRESSURE: 3522200 -31.9853 101.183 -11.0168 101.183 25.6443 54.6654 -11.0168 54.6661 239.378 GPRESSURE: 3522200 20.7462 51.3353 -127.576 108.054 139.13 130.406 -105.476 -42.9113 153.561 PRESSAVG: 3522200 -65.1989 45.8213 -51.9993 45.8213 65.7861 -57.5204 -51.9993 -57.5203 24.9044 GPRESSAVG: 3522200 -65.0245 46.3145 -50.3013 44.286 66.0936 -57.1639 -52.8971 -59.0839 24.4955 TIMING: 3522200 CPU: 11004.4, 0.00311635/step Wall: 11004.4, 0.00311635/step, 1.27926 hours remaining, 234.257812 MB of memory in use. ENERGY: 3522200 4008.1176 20411.8232 14412.0065 259.7808 -203517.8440 2845.6184 0.0000 0.0000 51988.2520 -109592.2454 298.7772 -161580.4974 -109225.1070 298.5105 77.6790 104.4793 761963.7951 8.4972 8.5215 PRESSURE: 3522400 -137.68 18.4408 -79.1103 18.4405 -97.5347 52.4116 -79.1111 52.4099 261.914 GPRESSURE: 3522400 -94.2557 -11.5163 17.3964 149.798 -111.169 89.9884 -52.0127 91.3524 327.904 PRESSAVG: 3522400 -4.59141 2.4421 -37.2809 2.44208 47.7732 40.8791 -37.2809 40.8791 12.8058 GPRESSAVG: 3522400 -3.50931 1.77896 -38.9953 1.36553 47.1303 40.2092 -36.1129 40.5741 12.2381 TIMING: 3522400 CPU: 11005, 0.00312328/step Wall: 11005, 0.00312328/step, 1.28193 hours remaining, 234.257812 MB of memory in use. ENERGY: 3522400 3917.3848 20445.5672 14436.6916 262.3875 -203584.4860 2979.0857 0.0000 0.0000 51972.2219 -109571.1473 298.6851 -161543.3693 -109199.9213 298.8537 8.8997 40.8264 763036.6351 18.6625 18.6197 PRESSURE: 3522600 -20.2049 -21.7359 243.581 -21.7365 114.004 90.4743 243.581 90.4743 211.2 GPRESSURE: 3522600 -22.9963 -49.411 279.696 -90.5256 232.381 143.994 262.548 14.9846 187.198 PRESSAVG: 3522600 -27.7639 -18.3882 -23.2458 -18.3882 26.4199 16.8516 -23.2458 16.8516 -4.83671 GPRESSAVG: 3522600 -28.6855 -17.4589 -22.5886 -19.834 27.4467 19.2823 -22.704 16.7999 -4.81996 TIMING: 3522600 CPU: 11005.6, 0.00313976/step Wall: 11005.6, 0.00313976/step, 1.28852 hours remaining, 234.257812 MB of memory in use. ENERGY: 3522600 4093.1038 20328.3254 14405.4265 252.5398 -203513.1905 2970.6439 0.0000 0.0000 51915.6293 -109547.5218 298.3598 -161463.1511 -109180.5874 298.6999 101.6663 132.1945 761830.3102 -2.0603 -2.0196 PRESSURE: 3522800 273.821 -15.2598 -64.1173 -15.2592 -222.105 -203.452 -64.1163 -203.452 412.166 GPRESSURE: 3522800 360.631 23.8255 -60.903 77.0701 -188.098 -294.365 -73.5831 -137.313 386.593 PRESSAVG: 3522800 -20.0713 13.2434 -22.3983 13.2435 -27.4447 -52.8296 -22.3984 -52.8297 16.9358 GPRESSAVG: 3522800 -18.5742 12.6752 -22.7314 15.3558 -28.2885 -52.7251 -23.73 -52.5578 16.518 TIMING: 3522800 CPU: 11006.3, 0.00313083/step Wall: 11006.3, 0.00313083/step, 1.28468 hours remaining, 234.257812 MB of memory in use. ENERGY: 3522800 3982.0807 20350.9762 14473.6508 243.4947 -203153.3387 2470.3138 0.0000 0.0000 52098.5272 -109534.2954 299.4110 -161632.8226 -109164.4962 298.6564 154.6277 186.3754 761788.3809 -10.1934 -10.1149 PRESSURE: 3523000 -5.84466 31.3351 -108.382 31.3341 -175.758 -242.381 -108.382 -242.382 170.836 GPRESSURE: 3523000 32.3762 -47.1488 -153.397 66.2509 -214.109 -200.674 -31.553 -156.626 246.135 PRESSAVG: 3523000 9.81364 26.0025 8.90524 26.0024 -3.08769 1.33151 8.90522 1.33155 6.28133 GPRESSAVG: 3523000 9.80935 24.6602 11.3827 26.0646 -2.45242 0.756837 7.5641 1.86188 5.42657 TIMING: 3523000 CPU: 11006.9, 0.0031007/step Wall: 11006.9, 0.0031007/step, 1.27215 hours remaining, 234.257812 MB of memory in use. ENERGY: 3523000 4028.5415 20487.1323 14542.3736 272.5226 -203775.1589 2802.7397 0.0000 0.0000 52041.5448 -109600.3044 299.0835 -161641.8491 -109240.5246 299.2501 -3.5889 21.4672 761458.3516 4.3358 4.2612 PRESSURE: 3523200 98.7944 95.4363 -170.939 95.436 49.9039 -151.884 -170.939 -151.883 -352.18 GPRESSURE: 3523200 53.9288 76.6116 -117.442 77.1645 77.4798 -140.078 -124.538 -88.2171 -260.855 PRESSAVG: 3523200 -7.55126 13.7842 -10.9126 13.7843 29.9527 -3.00377 -10.9125 -3.00385 -13.6656 GPRESSAVG: 3523200 -7.4473 16.5662 -13.8116 13.5171 29.7659 -3.52814 -8.18254 -2.47096 -13.7889 TIMING: 3523200 CPU: 11007.5, 0.00309756/step Wall: 11007.5, 0.00309756/step, 1.27069 hours remaining, 234.257812 MB of memory in use. ENERGY: 3523200 3962.5470 20537.5282 14461.8615 253.9701 -203505.1594 2710.5229 0.0000 0.0000 51907.3594 -109671.3704 298.3123 -161578.7298 -109324.9494 298.8094 -67.8273 -43.1490 761884.0136 2.9120 2.8432 PRESSURE: 3523400 -69.3094 106.591 97.3556 106.592 -92.9844 249.795 97.3559 249.795 170.147 GPRESSURE: 3523400 -37.5616 69.3759 140.391 39.1042 11.7564 123.59 -19.7164 264.311 120.274 PRESSAVG: 3523400 39.107 -2.45056 -42.9854 -2.45058 -47.1956 -2.3525 -42.9854 -2.35253 -1.53299 GPRESSAVG: 3523400 39.0598 -3.50555 -41.7732 -4.326 -46.5119 -3.90713 -42.9528 -2.81112 -2.04356 TIMING: 3523400 CPU: 11008.1, 0.00311199/step Wall: 11008.1, 0.00311199/step, 1.27643 hours remaining, 234.257812 MB of memory in use. ENERGY: 3523400 4101.8735 20530.7174 14415.4523 245.0504 -203594.9922 2723.9042 0.0000 0.0000 52017.8946 -109560.0998 298.9476 -161577.9944 -109191.1588 298.6272 2.6179 31.4895 760640.1076 -3.2072 -3.1652 PRESSURE: 3523600 182.8 -88.2931 -19.178 -88.2936 268.163 196.229 -19.1787 196.229 10.2603 GPRESSURE: 3523600 309.832 -155.057 11.0267 -118.042 227.113 177.509 58.9626 95.8733 30.2011 PRESSAVG: 3523600 42.1566 28.228 8.8136 28.2279 -16.1141 -23.1967 8.8136 -23.1967 -3.64818 GPRESSAVG: 3523600 42.6417 28.0997 8.90652 29.3704 -17.5187 -22.5625 9.26477 -22.1016 -3.10895 TIMING: 3523600 CPU: 11008.7, 0.00309182/step Wall: 11008.7, 0.00309182/step, 1.26799 hours remaining, 234.257812 MB of memory in use. ENERGY: 3523600 3985.2459 20456.4301 14468.4099 255.0101 -203346.8378 2796.6128 0.0000 0.0000 52098.4056 -109286.7234 299.4103 -161385.1291 -108926.4980 299.3881 153.7412 189.0487 762097.6720 7.4648 7.3380 PRESSURE: 3523800 -252.873 -113.25 -112.2 -113.251 -27.4584 157.294 -112.2 157.293 -61.2918 GPRESSURE: 3523800 -223.972 -19.7198 -166.82 -13.9702 48.7139 122.518 -15.6179 187.743 -102.715 PRESSAVG: 3523800 -18.0336 -25.8163 45.884 -25.8164 -36.2391 -11.4132 45.8839 -11.4133 -26.1715 GPRESSAVG: 3523800 -18.8022 -25.8189 45.59 -26.3796 -35.8129 -12.2122 44.5443 -12.9402 -25.4909 TIMING: 3523800 CPU: 11009.4, 0.00310344/step Wall: 11009.4, 0.00310344/step, 1.27258 hours remaining, 234.257812 MB of memory in use. ENERGY: 3523800 3978.6747 20345.1946 14448.8741 250.2688 -202855.0508 2270.7003 0.0000 0.0000 52177.9444 -109383.3939 299.8674 -161561.3382 -109012.3005 299.6908 -113.8743 -92.6577 762358.4810 -26.8147 -26.7020 PRESSURE: 3524000 196.382 -71.8624 -220.801 -71.8623 134.592 -215.524 -220.801 -215.524 68.2274 GPRESSURE: 3524000 222.394 20.7211 -243.3 -87.1131 155.602 -190.077 -184.259 -76.4118 94.4052 PRESSAVG: 3524000 39.1089 -5.32441 4.15331 -5.32444 -25.315 -37.4882 4.15335 -37.4881 -5.53037 GPRESSAVG: 3524000 38.2221 -4.26594 6.06157 -5.48802 -25.4348 -34.8699 3.17697 -37.2468 -4.67739 TIMING: 3524000 CPU: 11010, 0.00310027/step Wall: 11010, 0.00310027/step, 1.27111 hours remaining, 234.257812 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: 3524000 3955.5849 20673.8401 14486.0418 251.2895 -203183.2003 2598.1714 0.0000 0.0000 51947.6199 -109270.6528 298.5437 -161218.2727 -108916.0782 299.5059 133.0673 157.4673 761728.1941 2.7545 2.7033 PRESSURE: 3524200 170.048 42.4824 -34.9937 42.4827 21.3413 -320.988 -34.9937 -320.988 265.737 GPRESSURE: 3524200 144.409 -0.283603 77.5628 136.267 145.694 -317.48 -32.4268 -195.251 249.74 PRESSAVG: 3524200 22.5316 -1.12861 -15.9575 -1.12856 -27.2795 -29.3927 -15.9575 -29.3928 3.98945 GPRESSAVG: 3524200 22.4874 -1.74791 -17.4045 -0.125126 -26.0561 -29.6787 -16.2408 -30.2364 3.31908 TIMING: 3524200 CPU: 11010.6, 0.0031095/step Wall: 11010.6, 0.0031095/step, 1.27472 hours remaining, 234.257812 MB of memory in use. ENERGY: 3524200 4010.9283 20614.1988 14503.1877 248.1974 -203222.8813 2584.1516 0.0000 0.0000 51857.8431 -109404.3743 298.0277 -161262.2174 -109042.3636 299.3338 152.3755 179.9476 761317.9107 -0.2528 -0.0832 LDB: ============= START OF LOAD BALANCING ============== 11023.1 LDB: ============== END OF LOAD BALANCING =============== 11023.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11023.1 LDB: ============= START OF LOAD BALANCING ============== 11023.4 LDB: Largest compute 7070 load 0.030620 is 15.7% of average load 0.195199 LDB: Average compute 0.004392 is 2.3% of average load 0.195199 LDB: TIME 11023.4 LOAD: AVG 0.195199 MAX 0.213757 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.086 MB LDB: TIME 11023.4 LOAD: AVG 0.195199 MAX 0.213757 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.086 MB LDB: TIME 11023.4 LOAD: AVG 0.195199 MAX 0.213757 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.086 MB LDB: ============== END OF LOAD BALANCING =============== 11023.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11023.4 PRESSURE: 3524400 -396.603 112.198 309.002 112.198 -692.172 107.55 309.001 107.55 1.72203 GPRESSURE: 3524400 -320.474 146.65 394.538 110.657 -611.458 126.354 284.248 16.6864 -73.3068 PRESSAVG: 3524400 50.9157 -4.94285 -11.3216 -4.94281 3.64607 -56.9248 -11.3215 -56.9248 7.80547 GPRESSAVG: 3524400 51.5321 -3.69358 -11.0642 -5.9157 3.5258 -57.3603 -9.77463 -57.2502 7.32447 TIMING: 3524400 CPU: 11011.2, 0.00320001/step Wall: 11011.2, 0.00320001/step, 1.31165 hours remaining, 235.023438 MB of memory in use. ENERGY: 3524400 3876.3702 20717.7234 14434.9259 255.4064 -202988.3011 2626.0766 0.0000 0.0000 51850.9681 -109226.8306 297.9882 -161077.7986 -108860.8154 299.4049 -362.3507 -335.0797 764201.6506 20.7891 20.7941 PRESSURE: 3524600 -165.443 -32.6632 87.7987 -32.6625 -215.852 48.2784 87.7987 48.2793 -4.51107 GPRESSURE: 3524600 -120.659 3.20923 124.557 -59.2741 -193.802 50.4148 -0.22826 10.4213 -16.6829 PRESSAVG: 3524600 5.09763 -15.2599 28.765 -15.2599 2.22617 -18.4669 28.7651 -18.4668 -17.2787 GPRESSAVG: 3524600 5.83093 -16.6012 29.2249 -13.9555 1.60552 -19.3753 26.8004 -18.2097 -17.5187 TIMING: 3524600 CPU: 11011.9, 0.00311992/step Wall: 11011.9, 0.00311992/step, 1.27865 hours remaining, 235.281250 MB of memory in use. ENERGY: 3524600 3962.8818 20470.5919 14532.9875 226.0356 -203062.7937 2561.2064 0.0000 0.0000 51940.8623 -109368.2281 298.5048 -161309.0905 -109006.1540 299.0685 -128.6017 -110.3814 762969.4556 -3.3183 -3.3607 PRESSURE: 3524800 82.035 -178.198 -40.7626 -178.197 -33.9089 -171.611 -40.7621 -171.61 -15.6443 GPRESSURE: 3524800 78.4986 -141.115 16.8561 -117.513 -5.78693 -231.454 34.7874 -218.964 41.5451 PRESSAVG: 3524800 32.8754 -14.7201 59.4284 -14.7201 -46.3926 -85.7551 59.4284 -85.755 -17.6051 GPRESSAVG: 3524800 32.1903 -14.5934 57.9234 -13.7596 -47.3764 -85.4784 62.8809 -85.1518 -16.3657 TIMING: 3524800 CPU: 11012.5, 0.0031024/step Wall: 11012.5, 0.0031024/step, 1.27129 hours remaining, 235.281250 MB of memory in use. ENERGY: 3524800 3901.3303 20599.0696 14484.7100 241.0549 -203256.2263 2539.3510 0.0000 0.0000 52315.4050 -109175.3056 300.6574 -161490.7106 -108816.1781 299.2777 10.8273 38.0856 761335.7104 -10.3741 -10.5173 PRESSURE: 3525000 -42.726 22.6028 -52.9939 22.6019 -203.389 113.934 -52.9936 113.933 213.7 GPRESSURE: 3525000 -21.7835 67.1332 31.8555 50.5129 -125.16 29.517 -220.721 98.1239 207.72 PRESSAVG: 3525000 -2.47308 11.2373 -6.22418 11.2372 11.0426 -38.981 -6.22419 -38.981 2.09162 GPRESSAVG: 3525000 -2.62581 10.1522 -3.41401 9.80215 11.9831 -38.5769 -9.04157 -39.4687 1.23694 TIMING: 3525000 CPU: 11013.1, 0.00311914/step Wall: 11013.1, 0.00311914/step, 1.27798 hours remaining, 235.281250 MB of memory in use. ENERGY: 3525000 3925.2091 20534.3329 14473.0228 255.0623 -203173.1948 2561.5806 0.0000 0.0000 52270.4607 -109153.5264 300.3991 -161423.9871 -108798.3386 299.9149 -10.8051 20.2590 761519.3159 3.5537 3.5314 PRESSURE: 3525200 198.046 167.021 37.1967 167.021 244.681 -82.8373 37.1975 -82.8376 3.23349 GPRESSURE: 3525200 200.777 110.43 18.1586 -35.8309 278.865 -119.301 48.9343 -4.04172 60.7317 PRESSAVG: 3525200 19.3723 32.1848 4.67013 32.1847 8.98079 -22.6995 4.67013 -22.6995 0.632319 GPRESSAVG: 3525200 18.9099 33.5445 2.624 29.2385 8.70329 -24.4892 4.74743 -20.4985 1.27942 TIMING: 3525200 CPU: 11013.7, 0.00310421/step Wall: 11013.7, 0.00310421/step, 1.27169 hours remaining, 235.281250 MB of memory in use. ENERGY: 3525200 4001.4104 20444.0302 14413.6169 266.3592 -203280.1561 2775.6049 0.0000 0.0000 52124.3487 -109254.7858 299.5593 -161379.1346 -108907.6538 299.6225 148.6537 180.1245 760767.7328 9.6618 9.6309 PRESSURE: 3525400 87.0904 143.304 52.9979 143.306 -44.1945 -78.5318 52.9977 -78.5318 -167.401 GPRESSURE: 3525400 57.5692 17.3448 60.1349 102.545 -3.30485 -124.415 31.7822 -69.6065 -119.73 PRESSAVG: 3525400 52.5665 -5.12263 56.3731 -5.12264 -2.26724 -13.942 56.3731 -13.9422 21.5926 GPRESSAVG: 3525400 53.0466 -6.89042 57.3105 -2.26364 -1.80935 -13.3674 56.9383 -15.5698 20.984 TIMING: 3525400 CPU: 11014.3, 0.00309559/step Wall: 11014.3, 0.00309559/step, 1.26799 hours remaining, 235.351562 MB of memory in use. ENERGY: 3525400 3995.5019 20516.0787 14412.7657 222.6174 -202832.2020 2323.0383 0.0000 0.0000 51850.3402 -109511.8597 297.9846 -161362.1999 -109148.1127 298.9123 -41.5018 -21.8218 761653.5460 23.9639 24.0737 PRESSURE: 3525600 -275.202 -305.127 175.443 -305.128 -106.366 -187.403 175.443 -187.403 -312.703 GPRESSURE: 3525600 -250.272 -256.112 146.203 -216.759 -117.599 -339.16 40.0337 -184.385 -246.335 PRESSAVG: 3525600 51.4866 -58.8745 2.64929 -58.8744 -15.2377 -15.6894 2.64929 -15.6894 -20.4214 GPRESSAVG: 3525600 52.8705 -58.1473 1.22293 -58.1942 -16.5506 -16.7509 1.93156 -18.1175 -20.0367 TIMING: 3525600 CPU: 11015, 0.00309617/step Wall: 11015, 0.00309617/step, 1.26805 hours remaining, 235.351562 MB of memory in use. ENERGY: 3525600 4088.6677 20532.7352 14418.6679 235.7568 -203328.5744 2770.2394 0.0000 0.0000 51957.0224 -109325.4851 298.5977 -161282.5075 -108973.2572 298.8576 -231.4239 -204.7351 761613.1190 5.2759 5.4277 PRESSURE: 3525800 378.681 86.8735 -66.2684 86.8744 -280.199 -89.823 -66.268 -89.8226 -94.1324 GPRESSURE: 3525800 406.109 -13.6601 -106.33 132.093 -190.488 -190.268 -26.0774 -16.9835 -112.792 PRESSAVG: 3525800 15.7185 -50.4798 -24.5611 -50.4798 -4.65713 -23.1079 -24.5612 -23.1079 -9.49269 GPRESSAVG: 3525800 15.2865 -50.2324 -24.1272 -53.0639 -4.24458 -21.712 -25.7564 -22.2597 -9.47293 TIMING: 3525800 CPU: 11015.6, 0.00309978/step Wall: 11015.6, 0.00309978/step, 1.26936 hours remaining, 235.351562 MB of memory in use. ENERGY: 3525800 3991.8586 20359.6510 14384.7370 235.0298 -203295.8421 2754.3106 0.0000 0.0000 52210.5046 -109359.7505 300.0545 -161570.2551 -108986.8029 298.9673 1.4499 34.2763 760951.2108 0.5229 0.5230 PRESSURE: 3526000 -109.086 58.7752 210.556 58.7747 -277.363 -14.0609 210.556 -14.0611 -128.298 GPRESSURE: 3526000 -156.105 108.162 269.123 -26.3634 -206.352 -89.862 68.4295 -58.1575 -69.8542 PRESSAVG: 3526000 55.9645 34.106 25.4215 34.106 -68.2326 -2.3933 25.4215 -2.39323 2.23409 GPRESSAVG: 3526000 54.6731 34.9428 26.7808 35.3132 -66.6056 -4.64802 25.7001 -1.41968 1.6492 TIMING: 3526000 CPU: 11016.2, 0.00310125/step Wall: 11016.2, 0.00310125/step, 1.26979 hours remaining, 235.351562 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: 3526000 3957.5625 20386.6425 14523.8618 272.0581 -202788.1276 2518.8190 0.0000 0.0000 51903.7569 -109225.4268 298.2916 -161129.1836 -108859.5923 298.5213 -171.5822 -144.1038 762186.3754 -3.3447 -3.4278 PRESSURE: 3526200 310.889 134.124 50.5771 134.126 -66.8509 203.498 50.5772 203.498 273.215 GPRESSURE: 3526200 317.793 105.266 118.784 180.279 2.66078 198.286 94.1032 136.065 268.967 PRESSAVG: 3526200 -41.2231 40.3629 20.4392 40.363 43.275 -14.2216 20.4392 -14.2215 12.9943 GPRESSAVG: 3526200 -39.8259 39.4699 19.9591 41.4206 41.5185 -10.1397 20.6199 -15.5464 13.3337 TIMING: 3526200 CPU: 11016.8, 0.00310883/step Wall: 11016.8, 0.00310883/step, 1.27272 hours remaining, 235.351562 MB of memory in use. ENERGY: 3526200 3975.0219 20436.7464 14427.8334 242.8920 -203407.3444 2817.0723 0.0000 0.0000 51986.9072 -109520.8712 298.7695 -161507.7784 -109163.1050 298.8466 172.4178 196.4734 761312.8924 5.0154 5.0088 PRESSURE: 3526400 232.827 16.7882 -14.2752 16.7885 -82.6905 -43.3617 -14.2747 -43.3616 362.254 GPRESSURE: 3526400 327.026 -144.665 5.8368 79.4699 -38.219 -77.5253 6.62484 -0.976092 321.377 PRESSAVG: 3526400 -47.5954 -21.385 1.90045 -21.3851 -1.17637 -46.7668 1.90048 -46.7667 -6.67153 GPRESSAVG: 3526400 -48.355 -20.5777 -0.101179 -22.7926 -0.637432 -49.2315 2.55029 -44.1258 -6.39178 TIMING: 3526400 CPU: 11017.4, 0.00310535/step Wall: 11017.4, 0.00310535/step, 1.27112 hours remaining, 235.351562 MB of memory in use. ENERGY: 3526400 3970.5568 20345.2196 14364.2067 250.0890 -203410.2884 2762.6351 0.0000 0.0000 51824.9408 -109892.6405 297.8386 -161717.5812 -109520.9216 298.4673 170.7970 203.3947 761812.2185 -18.4811 -18.4614 PRESSURE: 3526600 -180.029 88.3009 -50.9308 88.3008 -70.9823 -84.6894 -50.9305 -84.6902 -295.167 GPRESSURE: 3526600 -34.9851 -16.6262 -111.745 115.279 -139.685 -149.476 75.5156 -17.1103 -284.333 PRESSAVG: 3526600 2.01628 23.8671 28.634 23.867 -1.00773 -34.1745 28.634 -34.1744 -18.9792 GPRESSAVG: 3526600 2.30135 22.524 28.5427 22.8318 -1.11799 -33.4132 27.5652 -33.7013 -19.625 TIMING: 3526600 CPU: 11018.1, 0.00310835/step Wall: 11018.1, 0.00310835/step, 1.27218 hours remaining, 235.351562 MB of memory in use. ENERGY: 3526600 3901.3925 20435.6162 14411.5560 254.0582 -203457.4411 2646.9509 0.0000 0.0000 51802.8943 -110004.9730 297.7119 -161807.8673 -109637.4188 297.6929 -182.0594 -153.0009 762320.7214 -5.9902 -6.1472 PRESSURE: 3526800 152.716 -11.3907 132.326 -11.3894 213.968 26.5917 132.326 26.591 141.42 GPRESSURE: 3526800 223.729 112.164 79.0368 -54.0208 312.365 19.6579 67.4507 -20.0494 42.2219 PRESSAVG: 3526800 8.54573 8.61576 19.5548 8.61574 -4.72154 -16.4664 19.5548 -16.4664 -18.8085 GPRESSAVG: 3526800 8.09573 5.56476 20.1244 9.49755 -4.28195 -17.1506 20.4999 -17.8582 -18.5634 TIMING: 3526800 CPU: 11018.7, 0.00310462/step Wall: 11018.7, 0.00310462/step, 1.27048 hours remaining, 235.351562 MB of memory in use. ENERGY: 3526800 3897.6904 20338.8071 14391.3463 250.3942 -203808.6303 2959.7516 0.0000 0.0000 51808.0850 -110162.5558 297.7418 -161970.6407 -109793.7911 297.5148 169.3682 192.7721 761959.3522 -4.9948 -4.9165 PRESSURE: 3527000 -5.15486 -0.349442 231.136 -0.349109 -102.681 112.024 231.135 112.023 97.1863 GPRESSURE: 3527000 -0.570152 -35.3809 244.704 31.823 -69.3576 100.647 192.485 193.71 144.968 PRESSAVG: 3527000 -17.0373 -12.3934 2.37786 -12.3934 2.13643 32.2588 2.37786 32.2588 11.9369 GPRESSAVG: 3527000 -16.3996 -8.36112 2.42605 -11.0714 -0.131995 32.0511 3.97339 33.2186 13.507 TIMING: 3527000 CPU: 11019.3, 0.00310729/step Wall: 11019.3, 0.00310729/step, 1.2714 hours remaining, 235.351562 MB of memory in use. ENERGY: 3527000 3939.6724 20587.0839 14416.7387 256.2770 -203587.4908 2735.3509 0.0000 0.0000 51765.3414 -109887.0265 297.4961 -161652.3679 -109538.6847 297.9321 -3.5498 25.0135 762533.8562 -0.9880 -1.0082 PRESSURE: 3527200 -615.018 -35.2523 -88.1934 -35.2528 -156.265 139.522 -88.1929 139.522 -254.757 GPRESSURE: 3527200 -617.261 -35.1725 -19.9541 62.1692 -1.30058 127.878 -55.7826 17.5732 -335.673 PRESSAVG: 3527200 -26.3435 12.5832 -26.5494 12.5832 27.3957 12.4126 -26.5494 12.4126 13.0505 GPRESSAVG: 3527200 -26.5881 12.1272 -26.3713 13.593 29.846 13.9325 -27.3649 13.369 10.9948 TIMING: 3527200 CPU: 11019.9, 0.00310152/step Wall: 11019.9, 0.00310152/step, 1.26887 hours remaining, 235.351562 MB of memory in use. ENERGY: 3527200 3992.0242 20362.5559 14405.6348 234.8133 -203207.0696 2487.3962 0.0000 0.0000 51823.5051 -109901.1401 297.8304 -161724.6452 -109537.4842 297.9304 -342.0135 -318.0783 762114.6717 4.7009 4.7509 PRESSURE: 3527400 62.4308 -94.9254 -26.633 -94.9246 -164.333 136.06 -26.633 136.059 65.1115 GPRESSURE: 3527400 108.627 -74.5436 -80.9286 -120.264 -109.55 103.998 -95.2461 82.18 52.7539 PRESSAVG: 3527400 -26.1214 -44.7052 -15.7826 -44.7052 12.0921 -10.5348 -15.7826 -10.5348 22.0295 GPRESSAVG: 3527400 -24.9423 -46.3993 -15.7155 -46.0227 10.3194 -10.7658 -16.301 -12.4481 22.3912 TIMING: 3527400 CPU: 11020.5, 0.00310047/step Wall: 11020.5, 0.00310047/step, 1.26827 hours remaining, 235.351562 MB of memory in use. ENERGY: 3527400 3971.9655 20330.0463 14471.3993 243.1123 -203221.5893 2293.3491 0.0000 0.0000 51775.7021 -110136.0147 297.5557 -161911.7168 -109769.9291 297.1656 -12.2635 17.2770 761540.5533 2.6668 2.5894 PRESSURE: 3527600 137.003 -106.717 145.28 -106.717 351.99 2.58952 145.279 2.58819 -282.079 GPRESSURE: 3527600 241.244 -24.144 231.331 -76.6209 250.42 -92.2209 256.825 67.5999 -202.766 PRESSAVG: 3527600 -41.0542 12.4541 13.6437 12.4542 18.9848 -21.0662 13.6437 -21.0661 -19.8135 GPRESSAVG: 3527600 -42.5032 13.2556 12.463 11.1321 19.7449 -20.7116 14.6925 -21.5658 -18.8382 TIMING: 3527600 CPU: 11021.2, 0.00310759/step Wall: 11021.2, 0.00310759/step, 1.27101 hours remaining, 235.351562 MB of memory in use. ENERGY: 3527600 4029.8683 20414.4948 14465.7835 239.3671 -203799.7132 2703.1113 0.0000 0.0000 51962.0801 -109985.0080 298.6268 -161947.0880 -109624.6700 297.6887 68.9713 96.2991 761819.3091 -13.9610 -13.8655 PRESSURE: 3527800 79.5646 -226.49 25.3495 -226.49 128.197 66.5413 25.3496 66.5428 309.143 GPRESSURE: 3527800 119.102 -142.121 -9.343 -60.3007 67.5788 77.1601 33.9589 121.997 393.555 PRESSAVG: 3527800 -42.1723 -60.6038 60.2727 -60.6038 55.3368 46.4381 60.2727 46.438 27.0909 GPRESSAVG: 3527800 -40.7735 -60.5451 62.1978 -59.4597 55.4368 46.8084 58.1023 46.3675 25.8294 TIMING: 3527800 CPU: 11021.8, 0.00309729/step Wall: 11021.8, 0.00309729/step, 1.26662 hours remaining, 235.351562 MB of memory in use. ENERGY: 3527800 3957.6908 20516.1042 14471.3053 259.4268 -203808.1601 2944.0796 0.0000 0.0000 51675.2676 -109984.2857 296.9785 -161659.5533 -109617.1320 297.5766 172.3015 193.4121 761945.2306 13.4185 13.4976 PRESSURE: 3528000 27.2284 -143.785 -139.706 -143.785 -437.351 -56.4075 -139.706 -56.4084 -32.1583 GPRESSURE: 3528000 0.741158 -47.7115 -104.573 -109.904 -232.579 -46.4222 -162.437 -134.702 -110.01 PRESSAVG: 3528000 7.4561 -22.6735 13.7802 -22.6735 4.71738 -3.94205 13.7802 -3.94203 21.2825 GPRESSAVG: 3528000 6.42196 -20.9004 11.8379 -21.5914 6.02305 -4.33857 14.9072 -4.40865 21.4746 TIMING: 3528000 CPU: 11022.4, 0.00309169/step Wall: 11022.4, 0.00309169/step, 1.26416 hours remaining, 235.351562 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: 3528000 3972.8869 20469.7899 14545.1843 234.1169 -203543.5654 2763.5640 0.0000 0.0000 51658.8048 -109899.2185 296.8839 -161558.0234 -109538.4629 297.4739 -147.4268 -113.9494 762598.5571 11.1520 11.3065 PRESSURE: 3528200 -189.704 -100.377 92.6698 -100.377 -150.111 -118.394 92.6711 -118.395 -104.182 GPRESSURE: 3528200 -94.4452 -80.5992 63.7957 -199.04 -113.317 -27.4441 77.8423 -101.856 -141.208 PRESSAVG: 3528200 30.6868 -12.2815 45.3195 -12.2816 -24.8946 8.65196 45.3195 8.65187 -3.54493 GPRESSAVG: 3528200 30.1019 -14.1739 46.1801 -13.124 -25.2539 9.06174 43.6574 8.77165 -2.70405 TIMING: 3528200 CPU: 11023, 0.00311625/step Wall: 11023, 0.00311625/step, 1.27403 hours remaining, 235.351562 MB of memory in use. ENERGY: 3528200 3968.2477 20356.1613 14485.3901 266.0787 -203173.7808 2501.9353 0.0000 0.0000 51456.4113 -110139.5564 295.7207 -161595.9677 -109775.9181 297.4420 -147.9991 -116.3234 763250.5671 0.7491 0.7146 LDB: ============= START OF LOAD BALANCING ============== 11035.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11035.5 LDB: =============== DONE WITH MIGRATION ================ 11035.5 LDB: ============= START OF LOAD BALANCING ============== 11035.8 LDB: Largest compute 7077 load 0.031079 is 15.9% of average load 0.195191 LDB: Average compute 0.004388 is 2.2% of average load 0.195191 LDB: TIME 11035.8 LOAD: AVG 0.195191 MAX 0.214893 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.375 MB LDB: TIME 11035.8 LOAD: AVG 0.195191 MAX 0.214893 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.375 MB LDB: TIME 11035.8 LOAD: AVG 0.195191 MAX 0.214893 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.375 MB LDB: ============== END OF LOAD BALANCING =============== 11035.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11035.8 PRESSURE: 3528400 98.8114 -14.5915 255.169 -14.5924 84.1251 137.375 255.17 137.375 285.624 GPRESSURE: 3528400 115.455 1.32644 278.258 -18.396 149.973 112.837 165.418 111.806 280.046 PRESSAVG: 3528400 1.59904 -9.69788 5.73186 -9.69792 -23.7671 11.162 5.73187 11.162 7.55742 GPRESSAVG: 3528400 3.37725 -7.66393 5.7926 -10.3243 -24.3081 10.3619 5.12319 10.8616 6.98424 TIMING: 3528400 CPU: 11023.7, 0.00318202/step Wall: 11023.7, 0.00318202/step, 1.30074 hours remaining, 234.445312 MB of memory in use. ENERGY: 3528400 4029.2902 20493.3288 14455.5177 245.1815 -204280.5064 2952.6943 0.0000 0.0000 51887.5025 -110216.9914 298.1982 -162104.4938 -109861.2264 297.3673 156.1867 181.8247 761149.7173 -4.8702 -4.6489 PRESSURE: 3528600 -315.844 -15.7567 69.8858 -15.757 -153.805 83.8501 69.8859 83.851 -163.644 GPRESSURE: 3528600 -271.92 108.865 -39.1657 -9.34635 -105.346 139.418 9.13945 39.4929 -178.828 PRESSAVG: 3528600 85.5823 -10.6243 4.83251 -10.6244 -6.89201 71.7705 4.83247 71.7704 -8.87777 GPRESSAVG: 3528600 85.6338 -11.621 4.24267 -10.9594 -6.94515 72.7794 7.232 72.7346 -9.03189 TIMING: 3528600 CPU: 11024.3, 0.0031111/step Wall: 11024.3, 0.0031111/step, 1.27158 hours remaining, 234.445312 MB of memory in use. ENERGY: 3528600 3853.5707 20488.6384 14460.1783 240.2255 -203302.5527 2283.7837 0.0000 0.0000 51835.7047 -110140.4513 297.9005 -161976.1560 -109775.2024 297.4869 -211.0976 -185.3647 761929.9508 23.2708 23.2189 PRESSURE: 3528800 -8.77224 -82.6468 -89.7455 -82.6468 3.88798 -370.414 -89.746 -370.413 168.914 GPRESSURE: 3528800 -33.82 -72.6815 -94.0355 -67.2017 113.987 -376.035 -123.034 -401.457 157.059 PRESSAVG: 3528800 53.7631 33.5678 -24.2376 33.5677 -15.8318 27.727 -24.2376 27.727 1.86456 GPRESSAVG: 3528800 54.0483 33.8258 -24.3474 34.5207 -15.1254 27.9592 -25.7614 26.1699 1.04892 TIMING: 3528800 CPU: 11024.9, 0.00312142/step Wall: 11024.9, 0.00312142/step, 1.27562 hours remaining, 234.445312 MB of memory in use. ENERGY: 3528800 3944.7530 20476.2283 14507.4079 253.9137 -203592.5873 2678.2728 0.0000 0.0000 51745.3647 -109986.6469 297.3813 -161732.0116 -109625.3878 297.1387 54.6765 79.0754 760481.3484 13.2653 13.3239 PRESSURE: 3529000 29.7839 -104.898 157.64 -104.897 54.4142 161.212 157.64 161.212 525.08 GPRESSURE: 3529000 59.5477 -42.4983 140.238 -147.093 148.831 178.598 84.4812 32.4995 501.515 PRESSAVG: 3529000 -25.0397 7.22875 -15.9827 7.22879 -19.2521 3.63031 -15.9827 3.63035 13.9419 GPRESSAVG: 3529000 -25.474 6.33614 -14.5069 7.06449 -19.3297 2.18448 -16.7251 5.62465 14.8117 TIMING: 3529000 CPU: 11025.5, 0.00311364/step Wall: 11025.5, 0.00311364/step, 1.27227 hours remaining, 234.445312 MB of memory in use. ENERGY: 3529000 3923.6648 20540.1428 14497.3183 248.3726 -203923.6901 2716.2984 0.0000 0.0000 51981.0439 -110016.8493 298.7358 -161997.8931 -109661.7826 297.7796 203.0928 236.6312 759819.9741 -10.1166 -9.9973 PRESSURE: 3529200 -545.217 -0.688763 81.3475 -0.688512 -128.726 -111.737 81.3472 -111.737 -372.884 GPRESSURE: 3529200 -480.782 -24.5716 61.8298 -65.4072 -98.5826 -110.82 -16.0059 -189.145 -381.348 PRESSAVG: 3529200 -29.9091 71.5424 60.4247 71.5424 18.6085 20.622 60.4247 20.6219 -19.714 GPRESSAVG: 3529200 -29.3841 71.8916 59.5065 71.3494 17.9605 21.4671 64.383 19.5763 -19.2304 TIMING: 3529200 CPU: 11026.2, 0.00311887/step Wall: 11026.2, 0.00311887/step, 1.27423 hours remaining, 234.445312 MB of memory in use. ENERGY: 3529200 3985.1196 20603.3983 14559.1140 248.8993 -203691.4936 2290.6179 0.0000 0.0000 51827.3176 -110177.0269 297.8523 -162004.3444 -109811.2188 298.1018 -348.9424 -320.2374 760857.0626 -10.3382 -10.2180 PRESSURE: 3529400 83.1217 17.4702 -13.6185 17.47 -24.742 64.6375 -13.6185 64.6382 30.2145 GPRESSURE: 3529400 54.811 146.246 -98.0704 -29.3729 73.8825 -86.3531 -21.0329 -71.5124 55.1017 PRESSAVG: 3529400 23.3909 -29.1792 18.7984 -29.1791 -4.45367 68.5024 18.7984 68.5024 27.8327 GPRESSAVG: 3529400 22.9815 -27.8377 16.9857 -29.9112 -4.80045 67.4058 15.8663 69.4992 28.0896 TIMING: 3529400 CPU: 11026.8, 0.00309179/step Wall: 11026.8, 0.00309179/step, 1.26299 hours remaining, 234.445312 MB of memory in use. ENERGY: 3529400 3968.8910 20454.2861 14502.7201 252.0692 -204058.4676 2899.3531 0.0000 0.0000 51754.4488 -110226.6994 297.4335 -161981.1482 -109869.5829 297.7992 29.5314 61.2651 760463.5287 15.5900 15.4235 PRESSURE: 3529600 -308.406 -184.079 236.71 -184.079 145.833 129.045 236.71 129.044 -64.3515 GPRESSURE: 3529600 -215.849 -63.6987 323.903 -36.7684 137.359 115.828 244.272 208.166 -61.7314 PRESSAVG: 3529600 13.8141 -61.2881 31.6234 -61.2881 -18.3826 29.3638 31.6234 29.3638 6.45669 GPRESSAVG: 3529600 14.4674 -60.2331 33.926 -59.7662 -18.8559 27.7262 32.2761 30.4197 6.90493 TIMING: 3529600 CPU: 11027.4, 0.00310005/step Wall: 11027.4, 0.00310005/step, 1.2662 hours remaining, 234.445312 MB of memory in use. ENERGY: 3529600 3948.3601 20386.0423 14470.3936 246.0882 -204054.7555 2856.2576 0.0000 0.0000 51912.9823 -110234.6313 298.3446 -162147.6137 -109872.6667 297.3872 -75.6415 -46.7406 760644.4494 0.6294 0.8388 PRESSURE: 3529800 -371.817 -74.812 63.2415 -74.8109 -340.774 157.9 63.241 157.899 128.795 GPRESSURE: 3529800 -315.356 -139.482 54.9582 -31.3149 -291.369 217.666 53.1828 248.127 81.303 PRESSAVG: 3529800 -3.01848 -5.13179 -9.6772 -5.13172 -2.35167 43.8533 -9.67719 43.8533 -7.08023 GPRESSAVG: 3529800 -4.12133 -7.01486 -10.2398 -6.20543 -1.09823 46.1168 -9.30232 44.1031 -7.2857 TIMING: 3529800 CPU: 11028, 0.00310709/step Wall: 11028, 0.00310709/step, 1.2689 hours remaining, 234.445312 MB of memory in use. ENERGY: 3529800 4004.9597 20476.4472 14504.1120 234.5213 -203362.4642 2458.3903 0.0000 0.0000 51930.3454 -109753.6883 298.4444 -161684.0337 -109391.9082 298.4031 -194.5988 -175.1409 763139.3274 -4.1501 -4.1684 PRESSURE: 3530000 -529.232 -149.457 -185.525 -149.457 -208.365 -279.344 -185.526 -279.344 -149.789 GPRESSURE: 3530000 -466.338 -81.107 -125.767 -155.914 -227.242 -292.33 -164.019 -185.329 -104.678 PRESSAVG: 3530000 -80.9838 -8.45219 19.3521 -8.45226 64.7289 33.7332 19.3521 33.7332 9.64563 GPRESSAVG: 3530000 -79.2688 -8.55319 17.0089 -8.13417 64.4177 33.5509 19.2337 34.7622 8.27848 TIMING: 3530000 CPU: 11028.6, 0.00310078/step Wall: 11028.6, 0.00310078/step, 1.26615 hours remaining, 234.445312 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: 3530000 4052.7179 20643.5826 14485.3897 243.4295 -203394.9151 2528.0628 0.0000 0.0000 51723.6988 -109718.0338 297.2568 -161441.7326 -109351.4952 298.4345 -295.7954 -266.0857 761687.7377 -2.2031 -2.1909 PRESSURE: 3530200 67.2081 -120.33 52.3305 -120.33 -134.91 255.635 52.3306 255.637 33.2392 GPRESSURE: 3530200 88.8941 -111.655 37.7882 -185.189 -85.0497 231.26 -50.3475 202.324 24.922 PRESSAVG: 3530200 -3.28749 14.226 -32.2085 14.226 19.1698 8.62279 -32.2085 8.62284 26.1723 GPRESSAVG: 3530200 -3.61357 14.0693 -29.4927 14.6758 19.1207 7.1908 -31.0389 7.82391 26.2093 TIMING: 3530200 CPU: 11029.3, 0.00311164/step Wall: 11029.3, 0.00311164/step, 1.27041 hours remaining, 234.445312 MB of memory in use. ENERGY: 3530200 3986.6590 20729.7168 14392.8971 248.8322 -203590.3486 2535.8050 0.0000 0.0000 52176.6207 -109519.8179 299.8598 -161696.4386 -109161.0448 299.0633 -11.4875 9.5888 760299.8594 14.0182 13.9055 PRESSURE: 3530400 76.1437 5.4151 183.926 5.41522 62.6445 189.481 183.926 189.481 -225.326 GPRESSURE: 3530400 40.9574 0.562257 227.813 -48.4999 203.247 237.37 188.804 118.381 -250.712 PRESSAVG: 3530400 25.7305 17.0781 -12.2132 17.0781 -5.40684 24.6158 -12.2132 24.6158 3.07695 GPRESSAVG: 3530400 26.2245 18.1837 -14.2274 17.9168 -6.33047 26.0467 -12.182 22.6351 3.26833 TIMING: 3530400 CPU: 11029.9, 0.00310344/step Wall: 11029.9, 0.00310344/step, 1.26689 hours remaining, 234.445312 MB of memory in use. ENERGY: 3530400 3960.3692 20557.3681 14460.1671 256.2041 -203807.2257 2802.2678 0.0000 0.0000 52235.0591 -109535.7903 300.1956 -161770.8494 -109170.3509 299.3285 -28.8458 -2.1691 760375.0054 7.8002 7.7208 PRESSURE: 3530600 -340.109 -38.7017 9.44613 -38.7015 -118.513 -447.803 9.44652 -447.802 112.642 GPRESSURE: 3530600 -309.331 -0.89918 30.3436 -145.999 -58.4552 -439.917 54.7346 -392.704 116.005 PRESSAVG: 3530600 19.758 -21.5401 4.18984 -21.5401 29.7881 -41.566 4.18976 -41.566 -6.67107 GPRESSAVG: 3530600 17.7873 -23.2166 5.51536 -23.2221 30.9893 -41.0673 4.80014 -38.7683 -6.10462 TIMING: 3530600 CPU: 11030.5, 0.00312499/step Wall: 11030.5, 0.00312499/step, 1.27552 hours remaining, 234.445312 MB of memory in use. ENERGY: 3530600 4040.6040 20569.2818 14433.9507 239.6055 -203841.8241 2649.2454 0.0000 0.0000 52049.9088 -109859.2279 299.1315 -161909.1367 -109493.1930 299.5514 -115.3265 -83.9271 759313.1809 14.2917 14.2240 PRESSURE: 3530800 228.241 -259.289 132.441 -259.289 -92.2701 -202.257 132.441 -202.257 -185.753 GPRESSURE: 3530800 233.296 -159.649 170.816 -201.504 -48.3778 -113.548 57.163 -226.525 -155.422 PRESSAVG: 3530800 -2.84053 -32.4486 68.1558 -32.4487 22.3254 -11.8357 68.1558 -11.8357 -13.209 GPRESSAVG: 3530800 -3.22779 -31.0873 66.7074 -29.7623 22.769 -11.7762 66.9718 -13.2946 -13.1877 TIMING: 3530800 CPU: 11031.1, 0.00311664/step Wall: 11031.1, 0.00311664/step, 1.27194 hours remaining, 234.445312 MB of memory in use. ENERGY: 3530800 4005.3322 20581.5126 14448.1520 223.6791 -203433.3084 2458.0721 0.0000 0.0000 52245.8395 -109470.7209 300.2576 -161716.5605 -109092.7430 299.2996 -16.5938 9.8321 759533.7368 2.0919 2.1178 PRESSURE: 3531000 -29.7537 -85.1396 -29.7528 -85.1403 -74.7888 153.793 -29.7524 153.793 -197.842 GPRESSURE: 3531000 72.4937 -162.43 -63.1354 -125.433 -64.1803 184.179 94.4194 87.2775 -211.178 PRESSAVG: 3531000 -12.9616 -52.3071 50.0139 -52.3071 43.6269 -43.9171 50.0139 -43.917 18.5575 GPRESSAVG: 3531000 -10.5584 -52.2052 50.3068 -56.2641 42.6166 -42.9074 50.5483 -44.5453 17.6603 TIMING: 3531000 CPU: 11031.8, 0.00311102/step Wall: 11031.8, 0.00311102/step, 1.26947 hours remaining, 234.445312 MB of memory in use. ENERGY: 3531000 4074.5924 20569.3812 14373.8459 237.6668 -203343.2147 2630.6769 0.0000 0.0000 52008.0495 -109449.0020 298.8910 -161457.0516 -109085.9659 299.2329 -100.7947 -67.6217 760140.6650 16.4076 16.5728 PRESSURE: 3531200 -284.378 -241.457 106.228 -241.456 -189.454 -34.1878 106.228 -34.1874 -445.855 GPRESSURE: 3531200 -235.604 -268.961 43.7671 -132.584 -163.451 -116.959 -34.8778 65.472 -431.073 PRESSAVG: 3531200 -14.3345 -47.583 42.4436 -47.583 25.8632 -21.0511 42.4436 -21.0511 -3.11512 GPRESSAVG: 3531200 -13.548 -47.6307 42.8599 -43.0579 25.1587 -23.2008 42.0035 -19.0601 -2.6694 TIMING: 3531200 CPU: 11032.4, 0.00311913/step Wall: 11032.4, 0.00311914/step, 1.27261 hours remaining, 234.445312 MB of memory in use. ENERGY: 3531200 4015.5584 20700.0955 14414.2368 259.1714 -203580.9616 2688.3670 0.0000 0.0000 51983.0315 -109520.5010 298.7472 -161503.5325 -109161.8435 299.0305 -306.5624 -276.7095 761315.0884 2.8046 2.9804 PRESSURE: 3531400 132.015 -183.175 -103.075 -183.175 -132.297 -184.906 -103.075 -184.907 -9.38416 GPRESSURE: 3531400 150.369 -99.6637 -76.7443 -228.731 -11.1625 -189.063 -113.016 -68.8262 -88.89 PRESSAVG: 3531400 43.6254 -80.4704 36.8104 -80.4703 -66.0853 -36.0798 36.8104 -36.0798 -15.9395 GPRESSAVG: 3531400 42.5738 -79.0428 35.43 -82.7249 -65.9805 -36.4008 36.5281 -36.1105 -15.2668 TIMING: 3531400 CPU: 11033, 0.00310563/step Wall: 11033, 0.00310563/step, 1.26692 hours remaining, 234.445312 MB of memory in use. ENERGY: 3531400 3959.0007 20604.4156 14459.7786 240.3975 -203642.5980 2737.9025 0.0000 0.0000 51976.4878 -109664.6153 298.7096 -161641.1030 -109294.3495 299.1907 -3.2219 16.7723 759379.9168 -12.7998 -12.8911 PRESSURE: 3531600 -289.105 110.613 -59.3999 110.613 -14.1423 124.025 -59.4002 124.025 83.1211 GPRESSURE: 3531600 -200.101 91.641 -58.8242 37.2633 51.7898 48.3812 5.13608 82.3824 2.94711 PRESSAVG: 3531600 37.87 -37.3996 -20.3515 -37.3996 -5.39853 -34.0793 -20.3515 -34.0792 20.911 GPRESSAVG: 3531600 39.1579 -39.7261 -18.7392 -38.2679 -4.15085 -32.8612 -20.7989 -36.6349 18.7051 TIMING: 3531600 CPU: 11033.6, 0.00311085/step Wall: 11033.6, 0.00311085/step, 1.26888 hours remaining, 234.445312 MB of memory in use. ENERGY: 3531600 3991.1512 20774.4140 14497.3808 247.7736 -203444.1606 2655.1715 0.0000 0.0000 51917.6459 -109360.6237 298.3714 -161278.2696 -109007.0696 298.8505 -73.3752 -48.4546 762100.4094 17.7941 17.9040 PRESSURE: 3531800 -278.689 -51.4657 -6.24549 -51.466 -88.6158 -104.222 -6.24497 -104.222 -208.474 GPRESSURE: 3531800 -230.063 -90.8528 -14.8018 123.853 -94.5876 -157.602 84.6341 -56.9546 -200.045 PRESSAVG: 3531800 8.00502 -26.1036 -3.58439 -26.1036 -11.7209 -8.29204 -3.58438 -8.29195 -27.9182 GPRESSAVG: 3531800 7.15237 -26.7696 -4.01292 -23.019 -13.0221 -8.35826 -3.16583 -7.09709 -25.7931 TIMING: 3531800 CPU: 11034.2, 0.00311164/step Wall: 11034.2, 0.00311164/step, 1.26903 hours remaining, 234.445312 MB of memory in use. ENERGY: 3531800 3987.3957 20612.8500 14501.3395 260.1494 -203455.3908 2562.8889 0.0000 0.0000 52065.3542 -109465.4129 299.2203 -161530.7672 -109096.1605 299.1825 -191.9265 -174.8987 761025.0099 -10.5447 -10.5543 PRESSURE: 3532000 -0.885908 -29.353 53.5218 -29.3532 -170.704 -248.268 53.5234 -248.267 195.602 GPRESSURE: 3532000 85.4518 -103.901 94.4383 20.3247 -108.623 -133.989 16.8091 -188.005 141.046 PRESSAVG: 3532000 -19.1523 -13.4973 25.9283 -13.4973 0.273874 -51.8015 25.9283 -51.8014 -5.93939 GPRESSAVG: 3532000 -20.4234 -12.7848 25.3473 -14.6181 0.745413 -51.431 25.1659 -51.6131 -5.62519 TIMING: 3532000 CPU: 11034.9, 0.00310251/step Wall: 11034.9, 0.00310251/step, 1.26514 hours remaining, 234.445312 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: 3532000 3973.8177 20521.1082 14446.4378 257.9799 -203359.0514 2585.4312 0.0000 0.0000 52074.5520 -109499.7245 299.2732 -161574.2765 -109131.0426 298.6667 8.0040 39.2918 761500.0862 -8.2726 -8.4344 PRESSURE: 3532200 166.288 -191.536 73.1387 -191.536 144.706 98.3003 73.1394 98.3001 57.3589 GPRESSURE: 3532200 160.829 -94.7443 61.6862 -304.135 143.433 58.5189 116.992 27.2058 161.877 PRESSAVG: 3532200 -30.1753 -16.6593 -24.0408 -16.6593 24.5055 -32.1967 -24.0409 -32.1966 1.09511 GPRESSAVG: 3532200 -29.1909 -15.8756 -23.9745 -18.5802 24.8823 -31.63 -23.6992 -35.779 0.0879903 TIMING: 3532200 CPU: 11035.5, 0.00310719/step Wall: 11035.5, 0.00310719/step, 1.26687 hours remaining, 234.445312 MB of memory in use. ENERGY: 3532200 3968.6066 20611.2193 14442.7226 259.5507 -203329.0719 2721.2049 0.0000 0.0000 51929.5673 -109396.2004 298.4399 -161325.7678 -109041.3662 298.9738 122.7845 155.3795 761231.9540 -1.5249 -1.4069 LDB: ============= START OF LOAD BALANCING ============== 11048 LDB: ============== END OF LOAD BALANCING =============== 11048 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11048 LDB: ============= START OF LOAD BALANCING ============== 11048.3 LDB: Largest compute 7007 load 0.029746 is 15.2% of average load 0.195189 LDB: Average compute 0.004384 is 2.2% of average load 0.195189 LDB: TIME 11048.3 LOAD: AVG 0.195189 MAX 0.214124 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.961 MB LDB: TIME 11048.3 LOAD: AVG 0.195189 MAX 0.214124 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.059 MB LDB: TIME 11048.3 LOAD: AVG 0.195189 MAX 0.214124 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.059 MB LDB: ============== END OF LOAD BALANCING =============== 11048.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11048.3 PRESSURE: 3532400 306.953 87.0516 -217.718 87.0524 190.493 -483.974 -217.717 -483.974 239.168 GPRESSURE: 3532400 318.524 5.8479 -180.848 -16.7156 219.941 -484.703 -151.317 -437.785 286.808 PRESSAVG: 3532400 18.9661 -55.8971 25.9654 -55.8971 -1.93614 -9.44843 25.9654 -9.44846 18.5537 GPRESSAVG: 3532400 20.1818 -55.2841 27.0266 -55.6258 -2.1703 -9.70136 27.5889 -6.96537 17.1773 TIMING: 3532400 CPU: 11036.1, 0.00317266/step Wall: 11036.1, 0.00317266/step, 1.29339 hours remaining, 234.511719 MB of memory in use. ENERGY: 3532400 4038.7143 20610.1926 14486.4113 242.6471 -203735.2030 2746.8500 0.0000 0.0000 51956.3783 -109654.0094 298.5940 -161610.3877 -109295.9927 299.7130 245.5381 275.0910 759802.5452 11.8612 11.7296 PRESSURE: 3532600 -89.3525 -102.342 143.449 -102.342 -2.02858 184.458 143.449 184.459 88.5011 GPRESSURE: 3532600 -98.2147 -108.923 124.144 -17.659 56.664 194.515 62.7828 190.407 137.903 PRESSAVG: 3532600 76.4968 -43.8517 -48.881 -43.8516 -29.2379 -55.5983 -48.8809 -55.5983 -10.5769 GPRESSAVG: 3532600 75.9369 -45.9075 -49.8408 -43.1416 -28.4049 -57.7204 -50.3715 -54.445 -10.6386 TIMING: 3532600 CPU: 11036.7, 0.00311318/step Wall: 11036.7, 0.00311318/step, 1.26897 hours remaining, 234.511719 MB of memory in use. ENERGY: 3532600 3955.4691 20530.2963 14426.2645 236.1634 -203415.5953 2592.4770 0.0000 0.0000 51808.5661 -109866.3589 297.7445 -161674.9251 -109496.8743 298.6536 -0.9600 32.1174 761330.6809 12.2273 12.2978 PRESSURE: 3532800 11.3639 -55.4864 88.3468 -55.4871 -145.768 43.1141 88.3474 43.1148 193.31 GPRESSURE: 3532800 11.6879 -49.6506 45.0495 33.6015 -99.4212 93.5339 17.348 43.56 220.501 PRESSAVG: 3532800 -45.6715 -94.3801 6.07544 -94.38 39.3575 -20.4747 6.07546 -20.4747 -13.075 GPRESSAVG: 3532800 -46.3664 -93.3717 5.43424 -94.2297 39.8704 -19.6266 7.54417 -21.0598 -12.8877 TIMING: 3532800 CPU: 11037.4, 0.00310149/step Wall: 11037.4, 0.00310149/step, 1.26403 hours remaining, 234.511719 MB of memory in use. ENERGY: 3532800 3899.0434 20476.5346 14514.7369 244.0032 -203459.9018 2679.5199 0.0000 0.0000 51926.7706 -109719.2933 298.4239 -161646.0638 -109357.2610 298.1520 19.6354 44.2560 761921.0563 -6.4630 -6.4612 PRESSURE: 3533000 206.623 -32.0581 -87.678 -32.0592 -138.253 0.163363 -87.6787 0.16381 -41.4644 GPRESSURE: 3533000 322.968 6.31871 -26.5992 -31.2472 -96.7496 -62.1108 -156.437 86.189 -135.626 PRESSAVG: 3533000 -24.9705 -16.3097 -14.7709 -16.3097 53.405 -12.8677 -14.7709 -12.8678 -3.604 GPRESSAVG: 3533000 -24.0759 -16.0346 -12.6546 -15.6296 52.5919 -13.1608 -15.4308 -12.6933 -3.18522 TIMING: 3533000 CPU: 11038, 0.00311484/step Wall: 11038, 0.00311484/step, 1.2693 hours remaining, 234.511719 MB of memory in use. ENERGY: 3533000 3963.4149 20483.4125 14434.0154 231.9572 -203988.0295 2899.1559 0.0000 0.0000 52209.0694 -109767.0043 300.0462 -161976.0738 -109406.7253 298.5849 8.9686 30.1973 760567.9944 8.2768 8.4436 PRESSURE: 3533200 369.185 -209.764 -143.766 -209.764 -387.037 -108.203 -143.767 -108.205 399.248 GPRESSURE: 3533200 316.34 -53.3776 -106.504 -245.568 -250.349 -138.661 -187.886 -93.7955 404.224 PRESSAVG: 3533200 46.9766 -4.9631 -43.305 -4.96308 -40.8863 -7.09439 -43.305 -7.09442 3.41067 GPRESSAVG: 3533200 46.2336 -5.9903 -43.3433 -6.06881 -40.4149 -8.12275 -44.6241 -5.46687 3.6217 TIMING: 3533200 CPU: 11038.6, 0.00311269/step Wall: 11038.6, 0.00311269/step, 1.26825 hours remaining, 234.511719 MB of memory in use. ENERGY: 3533200 4008.1281 20507.7391 14373.1950 239.3899 -203567.3838 2923.9334 0.0000 0.0000 52090.0590 -109424.9392 299.3623 -161514.9983 -109069.5298 299.0787 127.1321 156.7383 761905.9954 3.1670 3.1468 PRESSURE: 3533400 104.878 -99.8405 158.217 -99.84 287.127 -195.116 158.217 -195.115 20.8744 GPRESSURE: 3533400 198.49 -12.6269 69.4312 -109.871 247.017 -286.31 121.465 -115.01 51.144 PRESSAVG: 3533400 17.6212 16.8124 -17.7488 16.8124 27.4598 -5.18492 -17.7488 -5.18495 -14.1176 GPRESSAVG: 3533400 17.9387 15.203 -18.9064 18.0405 26.1283 -4.1007 -16.0871 -6.07551 -13.5918 TIMING: 3533400 CPU: 11039.2, 0.00311662/step Wall: 11039.2, 0.00311662/step, 1.26967 hours remaining, 234.511719 MB of memory in use. ENERGY: 3533400 4030.3085 20426.0439 14447.5314 238.1393 -203727.4525 3048.2996 0.0000 0.0000 52010.7764 -109526.3534 298.9066 -161537.1298 -109166.2086 298.9253 137.6264 165.5504 762921.9868 10.3211 10.1584 PRESSURE: 3533600 27.6881 -48.2044 -42.9714 -48.2054 -402.546 -40.8752 -42.9718 -40.8747 -29.0318 GPRESSURE: 3533600 98.9399 -74.6981 79.2942 -85.8606 -320.15 -46.7263 -31.3458 -33.1177 -100.713 PRESSAVG: 3533600 -15.3197 -0.771528 5.88887 -0.771445 4.34751 -27.9859 5.88883 -27.9859 18.3282 GPRESSAVG: 3533600 -17.4011 -0.877541 6.47178 0.0556656 6.45013 -26.6119 5.75155 -27.7699 18.466 TIMING: 3533600 CPU: 11039.9, 0.00311639/step Wall: 11039.9, 0.00311639/step, 1.26941 hours remaining, 234.511719 MB of memory in use. ENERGY: 3533600 3929.2030 20528.5800 14489.1462 244.4821 -203327.5923 2655.0915 0.0000 0.0000 51881.7013 -109599.3882 298.1649 -161481.0895 -109239.0127 298.7036 -134.6300 -107.3079 762563.6280 2.4520 2.5050 PRESSURE: 3533800 195.916 -158.105 134.649 -158.106 239.755 74.8905 134.649 74.8904 518.43 GPRESSURE: 3533800 206.069 -139.149 91.4458 -81.1693 334.878 7.19312 146.011 3.40683 497.623 PRESSAVG: 3533800 -64.0825 -38.562 -38.7464 -38.5621 33.8651 -34.8591 -38.7464 -34.8591 4.42376 GPRESSAVG: 3533800 -60.7561 -37.2544 -37.0049 -41.7228 32.788 -36.0429 -39.3274 -34.5124 2.39547 TIMING: 3533800 CPU: 11040.5, 0.00311164/step Wall: 11040.5, 0.00311164/step, 1.2673 hours remaining, 234.511719 MB of memory in use. ENERGY: 3533800 3898.8236 20500.9135 14477.2402 243.2966 -204040.5325 3136.2334 0.0000 0.0000 52023.2851 -109760.7400 298.9785 -161784.0252 -109392.9342 298.0160 318.0339 346.1898 761190.4818 -8.5979 -8.5242 PRESSURE: 3534000 38.2592 185.35 -54.0239 185.351 -78.3344 -6.38445 -54.0232 -6.38452 166.283 GPRESSURE: 3534000 42.5834 160.303 66.4543 159.924 0.23212 -110.535 -28.7252 148.165 149.731 PRESSAVG: 3534000 -19.1173 -3.16219 -11.9837 -3.16221 13.2832 3.58885 -11.9838 3.58888 26.5009 GPRESSAVG: 3534000 -21.0479 -2.40464 -13.905 -0.607066 14.0992 4.8584 -12.1199 4.01643 27.1153 TIMING: 3534000 CPU: 11041.1, 0.00312379/step Wall: 11041.1, 0.00312379/step, 1.27208 hours remaining, 234.511719 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: 3534000 3881.2459 20442.7809 14445.5709 241.0842 -203898.7890 3138.8998 0.0000 0.0000 51940.2352 -109808.9722 298.5012 -161749.2073 -109447.1483 297.9570 42.0691 64.1822 760972.4057 6.8889 6.7222 PRESSURE: 3534200 -196.44 68.0821 -147.755 68.0825 221.591 50.7269 -147.754 50.7265 -137.671 GPRESSURE: 3534200 -133.987 -51.8469 -177.045 -22.0466 226.964 14.8355 -312.293 131.6 -138.379 PRESSAVG: 3534200 -45.266 -6.23505 9.28586 -6.23505 18.9614 26.7896 9.28585 26.7896 -8.19555 GPRESSAVG: 3534200 -44.2701 -6.69095 9.91813 -6.5693 17.6581 24.6867 8.20896 27.0526 -7.66076 TIMING: 3534200 CPU: 11041.7, 0.00311135/step Wall: 11041.7, 0.00311135/step, 1.26684 hours remaining, 234.511719 MB of memory in use. ENERGY: 3534200 3968.5819 20566.4893 14462.4259 234.7025 -203649.6750 2930.2307 0.0000 0.0000 51762.8840 -109724.3608 297.4820 -161487.2448 -109376.5028 297.8331 -37.5064 -15.1340 763844.1175 -11.5000 -11.4243 PRESSURE: 3534400 -25.5446 -148.3 263.177 -148.3 -63.1164 -126.715 263.177 -126.715 -108.048 GPRESSURE: 3534400 42.6129 -133.019 218.639 -330.122 -45.0869 -126.584 292.546 18.0664 -89.4038 PRESSAVG: 3534400 -33.3641 -15.9094 9.97674 -15.9095 25.5757 9.67045 9.97673 9.67052 17.184 GPRESSAVG: 3534400 -33.1981 -15.1924 8.73475 -16.5634 24.6579 10.0335 10.8264 10.8008 17.7614 TIMING: 3534400 CPU: 11042.3, 0.00311864/step Wall: 11042.3, 0.00311864/step, 1.26963 hours remaining, 234.511719 MB of memory in use. ENERGY: 3534400 4007.6664 20513.2937 14418.7215 263.8723 -203275.2402 2756.7937 0.0000 0.0000 51635.2456 -109679.6471 296.7485 -161314.8926 -109330.6889 297.9448 -65.5698 -30.6259 761887.5868 3.1319 3.0737 PRESSURE: 3534600 -338.328 138.9 -82.1467 138.899 -128.507 -83.9281 -82.1465 -83.9285 -251.38 GPRESSURE: 3534600 -248.999 162.252 -10.3782 183.971 -172.397 -85.0252 -10.7707 7.34367 -213.093 PRESSAVG: 3534600 34.318 -21.8134 47.3662 -21.8134 -26.1279 48.3559 47.3662 48.3559 -19.688 GPRESSAVG: 3534600 34.7158 -22.5751 48.0681 -21.5216 -25.053 48.9274 47.9291 46.3674 -20.678 TIMING: 3534600 CPU: 11043, 0.00312539/step Wall: 11043, 0.00312539/step, 1.27221 hours remaining, 234.511719 MB of memory in use. ENERGY: 3534600 3938.6523 20233.6929 14342.1127 245.1039 -203429.8227 2842.0502 0.0000 0.0000 52102.9220 -109725.2886 299.4362 -161828.2106 -109356.5624 298.0084 -239.4051 -211.4963 763695.6872 -3.8326 -3.6717 PRESSURE: 3534800 -26.2529 -16.0312 169.243 -16.0322 124.677 -304.425 169.242 -304.425 692.098 GPRESSURE: 3534800 80.3348 -127.886 171.661 34.6432 179.77 -254.418 55.1011 -199.067 631.75 PRESSAVG: 3534800 1.10823 -29.6493 -1.88481 -29.6494 -16.2139 -17.5698 -1.88481 -17.5698 23.3955 GPRESSAVG: 3534800 0.979289 -31.569 -2.37605 -28.9982 -16.1855 -15.9424 -2.11508 -18.0371 23.3278 TIMING: 3534800 CPU: 11043.6, 0.00310663/step Wall: 11043.6, 0.00310663/step, 1.2644 hours remaining, 234.511719 MB of memory in use. ENERGY: 3534800 3984.8795 20291.9633 14414.7657 251.3177 -203474.7609 2819.4933 0.0000 0.0000 51871.1467 -109841.1947 298.1042 -161712.3414 -109479.0538 298.0461 263.5074 297.2850 761491.4857 2.7633 2.7072 PRESSURE: 3535000 -44.5055 -108.947 -30.8672 -108.946 -421.954 130.168 -30.8673 130.168 -507.17 GPRESSURE: 3535000 -66.0119 18.141 22.8495 -24.5934 -371.728 26.4702 -33.5749 40.7441 -459.827 PRESSAVG: 3535000 60.1457 -36.2915 27.932 -36.2915 -46.9362 15.306 27.9319 15.306 21.6307 GPRESSAVG: 3535000 59.0644 -35.0113 28.9546 -37.7496 -45.6369 13.901 28.7467 13.9482 21.7803 TIMING: 3535000 CPU: 11044.2, 0.00310819/step Wall: 11044.2, 0.00310819/step, 1.26486 hours remaining, 234.511719 MB of memory in use. ENERGY: 3535000 4054.1735 20379.5435 14437.9255 251.7311 -203257.4464 2518.2896 0.0000 0.0000 51881.8156 -109733.9677 298.1655 -161615.7833 -109377.1951 297.7083 -324.5432 -299.1887 762175.7644 11.6134 11.7359 PRESSURE: 3535200 208.729 26.7056 -164.024 26.7052 -122.5 -97.2336 -164.024 -97.2328 167.886 GPRESSURE: 3535200 205.929 -47.2107 -99.8924 -51.5692 -38.1646 -181.044 -32.6068 -74.5285 174.769 PRESSAVG: 3535200 27.8602 -10.8791 37.723 -10.8792 -1.20636 34.9165 37.723 34.9165 27.8054 GPRESSAVG: 3535200 27.6864 -11.6316 37.1717 -11.024 -1.87604 34.1399 36.4631 37.2435 28.2958 TIMING: 3535200 CPU: 11044.8, 0.00312197/step Wall: 11044.8, 0.00312197/step, 1.27029 hours remaining, 234.511719 MB of memory in use. ENERGY: 3535200 3981.4427 20207.2642 14437.4888 236.5112 -203421.4213 2925.7937 0.0000 0.0000 51782.0144 -109850.9063 297.5919 -161632.9207 -109488.0092 297.6224 84.7050 114.1778 762330.4884 18.1531 18.0354 PRESSURE: 3535400 102.064 138.791 -45.224 138.791 302.437 21.1187 -45.2236 21.1197 111.171 GPRESSURE: 3535400 198.738 147.478 7.67341 83.5441 258.188 123.973 -23.4087 -18.7897 132.974 PRESSAVG: 3535400 45.9633 20.883 38.2376 20.883 -20.2646 40.6999 38.2376 40.6999 -17.791 GPRESSAVG: 3535400 45.8959 22.8234 37.7173 22.87 -20.7215 41.2895 41.0079 41.3364 -17.3304 TIMING: 3535400 CPU: 11045.5, 0.00312947/step Wall: 11045.5, 0.00312947/step, 1.27317 hours remaining, 234.511719 MB of memory in use. ENERGY: 3535400 3870.9435 20527.9376 14471.8674 260.9009 -203311.0284 2843.9679 0.0000 0.0000 51524.3720 -109811.0392 296.1113 -161335.4111 -109457.3764 297.6944 171.8907 196.6331 759469.1415 2.6359 2.6147 PRESSURE: 3535600 -294.414 38.062 -216.438 38.0626 -341.361 249.306 -216.438 249.306 -251.005 GPRESSURE: 3535600 -347.886 -114.265 -170.824 127.308 -193.601 159.436 -228.139 212.122 -250.993 PRESSAVG: 3535600 20.8745 13.2037 -2.27506 13.2037 -55.5469 -19.0464 -2.27505 -19.0463 10.6997 GPRESSAVG: 3535600 21.1107 11.3008 -2.04122 12.9043 -55.3821 -19.034 -3.99655 -19.6905 10.4062 TIMING: 3535600 CPU: 11046.1, 0.00311793/step Wall: 11046.1, 0.00311793/step, 1.2683 hours remaining, 234.511719 MB of memory in use. ENERGY: 3535600 3964.2364 20380.5231 14383.4787 238.5929 -203249.0267 2549.3645 0.0000 0.0000 51840.8154 -109892.0158 297.9299 -161732.8311 -109521.1758 298.0340 -295.5934 -264.1597 763104.2892 -7.9909 -7.9551 PRESSURE: 3535800 -66.7032 -187.893 146.729 -187.893 -1.5316 88.0807 146.73 88.0809 -121.505 GPRESSURE: 3535800 9.97523 -179.447 129.687 -200.778 31.4113 71.2578 117.005 -10.9305 -126.754 PRESSAVG: 3535800 -6.31836 -76.7754 -11.6803 -76.7754 48.1067 -42.1302 -11.6804 -42.1302 1.99724 GPRESSAVG: 3535800 -6.6441 -75.3945 -11.2754 -76.4051 48.2145 -43.2607 -13.8736 -42.5233 2.11285 TIMING: 3535800 CPU: 11046.7, 0.00310216/step Wall: 11046.7, 0.00310215/step, 1.26172 hours remaining, 234.511719 MB of memory in use. ENERGY: 3535800 3986.0992 20295.4851 14438.9170 256.6589 -203587.5074 2921.7411 0.0000 0.0000 52148.0131 -109540.5930 299.6953 -161688.6061 -109182.1879 298.4931 -63.2467 -28.4559 762937.3650 14.5952 14.5611 PRESSURE: 3536000 116.107 -36.0287 -148.27 -36.0284 21.7197 33.0298 -148.269 33.0292 -214.841 GPRESSURE: 3536000 82.2356 -15.5475 -106.048 40.5389 145.943 -91.6952 -144.472 12.1344 -236.069 PRESSAVG: 3536000 -4.79163 2.30811 -23.5786 2.30806 20.623 -0.473548 -23.5786 -0.473536 -4.52313 GPRESSAVG: 3536000 -3.90392 0.690661 -24.255 -0.0899256 20.5853 -0.293258 -21.5919 0.414035 -4.90848 TIMING: 3536000 CPU: 11047.3, 0.00312768/step Wall: 11047.3, 0.00312768/step, 1.27192 hours remaining, 234.511719 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: 3536000 3973.3852 20262.5735 14436.5878 249.1494 -203382.8412 2805.5387 0.0000 0.0000 52017.2229 -109638.3837 298.9437 -161655.6066 -109273.4691 298.1997 -25.6714 -2.6302 762953.9325 3.7694 3.9243 PRESSURE: 3536200 129.954 83.4692 -11.4374 83.4682 85.1687 16.6992 -11.4379 16.6981 -290.846 GPRESSURE: 3536200 173.319 -24.7138 83.8007 121.158 140.78 -13.7641 -69.967 44.951 -303.708 PRESSAVG: 3536200 7.56548 32.5065 19.1926 32.5065 29.9217 39.5913 19.1925 39.5912 -10.1968 GPRESSAVG: 3536200 6.40968 33.8595 21.0022 35.1964 30.388 40.4979 16.952 37.8974 -9.32597 TIMING: 3536200 CPU: 11048, 0.00309519/step Wall: 11048, 0.00309519/step, 1.25854 hours remaining, 234.511719 MB of memory in use. ENERGY: 3536200 4051.4911 20446.0641 14366.6269 257.0179 -203589.9171 2899.1024 0.0000 0.0000 51858.3729 -109711.2419 298.0308 -161569.6148 -109354.9102 298.3834 -25.2411 3.4636 761349.1714 9.0968 9.1572 LDB: ============= START OF LOAD BALANCING ============== 11060.4 LDB: ============== END OF LOAD BALANCING =============== 11060.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11060.4 LDB: ============= START OF LOAD BALANCING ============== 11060.7 LDB: Largest compute 7070 load 0.030594 is 15.7% of average load 0.195153 LDB: Average compute 0.004393 is 2.3% of average load 0.195153 LDB: TIME 11060.8 LOAD: AVG 0.195153 MAX 0.213523 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.57 MB LDB: TIME 11060.8 LOAD: AVG 0.195153 MAX 0.213523 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.57 MB LDB: TIME 11060.8 LOAD: AVG 0.195153 MAX 0.213523 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.57 MB LDB: ============== END OF LOAD BALANCING =============== 11060.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11060.8 PRESSURE: 3536400 -20.3888 194.19 128.192 194.19 -125.131 -57.3379 128.191 -57.3386 34.9636 GPRESSURE: 3536400 -86.0348 250.304 1.4259 150.493 -22.1738 -95.0181 100.191 3.58156 89.6285 PRESSAVG: 3536400 35.0848 -24.2479 51.3759 -24.2479 -29.571 -9.29139 51.376 -9.29143 5.41506 GPRESSAVG: 3536400 36.4428 -22.2406 50.6993 -27.5115 -29.8932 -10.804 54.4476 -6.86133 4.8749 TIMING: 3536400 CPU: 11048.6, 0.00320103/step Wall: 11048.6, 0.00320103/step, 1.3014 hours remaining, 235.792969 MB of memory in use. ENERGY: 3536400 3968.2283 20394.3453 14415.1925 246.0252 -203529.2438 2575.5661 0.0000 0.0000 51990.2860 -109939.6005 298.7889 -161929.8865 -109571.6290 297.9987 -36.8522 -6.1934 762398.3288 3.6429 3.8081 PRESSURE: 3536600 224.041 -136.25 -256.965 -136.25 252.074 -193.988 -256.965 -193.987 317.757 GPRESSURE: 3536600 265.961 -124.893 -195.551 -97.0114 277.515 -228.023 -297.437 -145.611 323.657 PRESSAVG: 3536600 -20.2168 -34.4926 5.80685 -34.4926 12.9007 -23.9478 5.80677 -23.9478 -1.55467 GPRESSAVG: 3536600 -20.4788 -36.3787 5.0367 -33.0292 13.8085 -22.8756 5.64605 -25.2354 -2.22976 TIMING: 3536600 CPU: 11049.2, 0.00310558/step Wall: 11049.2, 0.00310558/step, 1.26242 hours remaining, 235.792969 MB of memory in use. ENERGY: 3536600 3922.8525 20468.9346 14464.2635 235.7578 -203582.1732 2609.9851 0.0000 0.0000 52006.2062 -109874.1734 298.8804 -161880.3797 -109512.1468 297.8947 264.6240 289.0443 761305.6203 -2.9569 -2.9667 PRESSURE: 3536800 -186.622 -109.048 -211.194 -109.049 -8.13488 -159.812 -211.194 -159.813 89.8868 GPRESSURE: 3536800 -146.016 -136.109 -169.713 -115.162 92.8136 -134.086 -137.749 -113.428 49.9118 PRESSAVG: 3536800 50.7604 -31.907 -73.8375 -31.9069 -15.9754 -71.5169 -73.8375 -71.5169 13.6236 GPRESSAVG: 3536800 50.1761 -31.9362 -73.2187 -32.3226 -16.8509 -71.2296 -74.1586 -69.4385 14.4152 TIMING: 3536800 CPU: 11049.8, 0.00311368/step Wall: 11049.8, 0.00311368/step, 1.26554 hours remaining, 235.792969 MB of memory in use. ENERGY: 3536800 3946.9886 20427.2469 14526.8248 245.5209 -203211.8241 2406.1757 0.0000 0.0000 52117.1627 -109541.9045 299.5181 -161659.0672 -109183.4245 298.6272 -34.9566 -1.0967 760337.1703 16.1362 15.9135 PRESSURE: 3537000 -247.686 -111.113 -173.06 -111.112 -441.82 170.266 -173.059 170.266 23.6685 GPRESSURE: 3537000 -297.442 -157.662 -178.275 -146.203 -342.664 198.965 -46.2548 113.598 48.7267 PRESSAVG: 3537000 54.0532 -48.2907 -4.89391 -48.2907 -68.394 -12.606 -4.89393 -12.6061 13.8635 GPRESSAVG: 3537000 54.2484 -48.4767 -5.68349 -48.651 -67.749 -12.4431 -5.80859 -14.8353 12.5934 TIMING: 3537000 CPU: 11050.5, 0.00310916/step Wall: 11050.5, 0.00310916/step, 1.26353 hours remaining, 235.792969 MB of memory in use. ENERGY: 3537000 3932.1147 20324.4223 14481.5833 274.0400 -203080.9224 2482.3173 0.0000 0.0000 52076.2963 -109510.1484 299.2832 -161586.4447 -109144.0933 298.9452 -221.9458 -197.1264 761480.6936 -0.1591 -0.3024 PRESSURE: 3537200 241.073 -358.905 -245.356 -358.905 -53.9209 200.104 -245.356 200.104 311.357 GPRESSURE: 3537200 185.652 -251.581 -277.778 -292.147 66.0691 210.131 -176.479 168.415 310.996 PRESSAVG: 3537200 52.2967 -64.3117 -18.6113 -64.3118 -26.5765 -34.1112 -18.6114 -34.1111 -7.17214 GPRESSAVG: 3537200 51.0033 -64.2205 -18.335 -63.62 -26.0893 -33.5136 -19.369 -33.0742 -6.86989 TIMING: 3537200 CPU: 11051.1, 0.00309862/step Wall: 11051.1, 0.00309862/step, 1.25907 hours remaining, 235.792969 MB of memory in use. ENERGY: 3537200 3962.1845 20578.5792 14475.8882 242.5561 -203257.5536 2563.8181 0.0000 0.0000 51997.7460 -109436.7815 298.8318 -161434.5275 -109082.1219 298.9027 166.1696 187.5724 762218.0673 6.1827 6.0147 PRESSURE: 3537400 -397.295 259.931 -247.563 259.931 -307.553 -171.598 -247.563 -171.598 243.581 GPRESSURE: 3537400 -332.872 90.6869 -245.792 301.214 -287.093 -197.39 -241.142 -74.7105 239.632 PRESSAVG: 3537400 -29.5772 12.8947 21.5681 12.8947 -1.89681 -23.6343 21.5682 -23.6343 17.1767 GPRESSAVG: 3537400 -28.2558 13.1042 22.6033 12.3991 -2.39004 -23.959 21.6732 -23.1572 16.3609 TIMING: 3537400 CPU: 11051.7, 0.00312675/step Wall: 11051.7, 0.00312675/step, 1.27033 hours remaining, 235.792969 MB of memory in use. ENERGY: 3537400 4004.7503 20609.6754 14535.3423 237.6391 -203164.7611 2583.4271 0.0000 0.0000 51685.3832 -109508.5437 297.0366 -161193.9269 -109161.4055 298.9568 -153.7558 -126.7776 763753.0594 -4.7658 -4.7617 PRESSURE: 3537600 -231.607 -44.3028 66.0192 -44.3026 -367.653 193.475 66.0188 193.475 -178.638 GPRESSURE: 3537600 -244.475 -40.9886 41.1514 -124.485 -385.436 184.577 -21.7192 100.854 -81.2412 PRESSAVG: 3537600 -6.04665 6.15167 -47.9935 6.15162 -43.0026 17.8083 -47.9936 17.8082 28.6524 GPRESSAVG: 3537600 -6.91051 5.24381 -50.7408 6.44245 -43.7876 15.7854 -46.6928 17.1871 30.227 TIMING: 3537600 CPU: 11052.3, 0.00312856/step Wall: 11052.3, 0.00312856/step, 1.27089 hours remaining, 235.792969 MB of memory in use. ENERGY: 3537600 3986.2186 20441.9023 14424.2014 232.3068 -203333.6566 2596.5381 0.0000 0.0000 52185.2562 -109467.2333 299.9094 -161652.4895 -109098.9279 299.0346 -259.2997 -237.0509 765002.0931 -6.7989 -6.8237 PRESSURE: 3537800 292.058 65.3444 124.658 65.3445 185.786 161.88 124.658 161.879 -93.608 GPRESSURE: 3537800 335.893 0.974879 212.933 5.11726 159.995 106.554 148.089 140.801 -14.3709 PRESSAVG: 3537800 78.7805 -1.18525 28.6688 -1.18523 -49.4628 32.2966 28.6688 32.2966 -10.0962 GPRESSAVG: 3537800 78.4356 -1.79753 31.2348 -0.473572 -48.7003 33.266 28.1122 31.4468 -10.9482 TIMING: 3537800 CPU: 11053, 0.00310328/step Wall: 11053, 0.00310328/step, 1.26045 hours remaining, 235.792969 MB of memory in use. ENERGY: 3537800 3932.7171 20486.3824 14407.2338 240.0391 -203490.2326 2939.6413 0.0000 0.0000 51973.2429 -109510.9761 298.6909 -161484.2190 -109141.2565 298.5341 128.0787 160.5060 760561.5863 6.4072 6.2624 PRESSURE: 3538000 305.455 -172.898 -159.761 -172.899 298.937 -46.8296 -159.761 -46.8285 12.2807 GPRESSURE: 3538000 354.26 -114.257 -159.665 -175.96 321.56 -45.4098 -134.197 -23.9849 23.6065 PRESSAVG: 3538000 42.1582 -48.5611 1.03155 -48.561 -36.054 -42.2846 1.03156 -42.2847 -9.01259 GPRESSAVG: 3538000 43.5487 -47.2233 0.621223 -49.7774 -38.275 -43.2461 3.86854 -40.7669 -8.28959 TIMING: 3538000 CPU: 11053.6, 0.00311682/step Wall: 11053.6, 0.00311682/step, 1.26578 hours remaining, 235.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3538000 3915.5133 20478.6139 14483.4162 247.7916 -203437.3349 2819.7073 0.0000 0.0000 51848.9780 -109643.3146 297.9768 -161492.2926 -109295.6654 298.6539 205.5575 233.1421 761382.6116 -0.9695 -1.0053 PRESSURE: 3538200 219.439 -49.0861 175.614 -49.0863 -88.0627 -154.196 175.613 -154.195 8.17708 GPRESSURE: 3538200 319.852 -19.6541 181.304 -148.228 -136.421 -251.857 36.0169 -209.068 37.6837 PRESSAVG: 3538200 45.9887 -3.43437 -27.854 -3.43433 -52.8496 -54.9147 -27.854 -54.9147 3.92156 GPRESSAVG: 3538200 45.9041 -3.26328 -26.3311 -3.89917 -52.301 -52.9938 -31.4238 -57.4012 3.80163 TIMING: 3538200 CPU: 11054.2, 0.0031008/step Wall: 11054.2, 0.0031008/step, 1.2591 hours remaining, 235.792969 MB of memory in use. ENERGY: 3538200 3940.2664 20527.1370 14523.0081 263.3226 -203494.0888 2789.3860 0.0000 0.0000 52015.6310 -109435.3376 298.9345 -161450.9687 -109076.9431 298.8427 46.5178 73.7047 761315.0387 -0.9798 -0.8651 PRESSURE: 3538400 -148.18 18.6501 13.5531 18.651 229.593 102.849 13.5526 102.85 -94.5842 GPRESSURE: 3538400 -129.721 76.5088 51.6395 -65.171 275.377 174.499 68.4271 56.5988 -65.4092 PRESSAVG: 3538400 -6.41245 -17.9854 16.9488 -17.9854 4.56446 45.6301 16.9488 45.6301 -21.2632 GPRESSAVG: 3538400 -7.47462 -19.5923 15.8269 -16.5216 5.07096 44.092 17.4912 47.4112 -21.4467 TIMING: 3538400 CPU: 11054.8, 0.00310311/step Wall: 11054.8, 0.00310311/step, 1.25986 hours remaining, 235.792969 MB of memory in use. ENERGY: 3538400 3936.2926 20619.8683 14443.8522 247.1460 -203385.9170 2618.3469 0.0000 0.0000 52070.8331 -109449.5779 299.2518 -161520.4110 -109091.7729 299.1407 -4.3902 26.7490 762508.5705 -7.7037 -7.9501 PRESSURE: 3538600 -55.6585 205.043 -59.5748 205.042 -92.2027 -23.7605 -59.5748 -23.7601 217.235 GPRESSURE: 3538600 -23.4014 174.74 -65.1829 50.114 -71.0116 -57.9273 -114.263 62.1517 246.796 PRESSAVG: 3538600 17.8359 -27.3395 34.0937 -27.3395 17.4759 16.0881 34.0938 16.088 -1.43339 GPRESSAVG: 3538600 17.7806 -26.0513 35.3788 -27.2107 18.8052 17.212 32.8036 17.7933 -2.46041 TIMING: 3538600 CPU: 11055.4, 0.00311659/step Wall: 11055.4, 0.00311659/step, 1.26516 hours remaining, 235.792969 MB of memory in use. ENERGY: 3538600 4026.8040 20494.6617 14472.1389 234.2902 -203354.4306 2643.9617 0.0000 0.0000 52145.8433 -109336.7307 299.6829 -161482.5740 -108973.7051 299.1894 23.1247 50.7944 763684.3051 11.2928 11.3751 PRESSURE: 3538800 -130.028 -209.28 53.0109 -209.28 168.75 181.521 53.0103 181.521 89.5204 GPRESSURE: 3538800 -102.632 -216.053 155.092 -249.645 209.49 227.512 -37.4551 39.2614 113.418 PRESSAVG: 3538800 63.5814 -52.1285 21.4258 -52.1286 1.68933 -0.922184 21.4257 -0.922161 -15.502 GPRESSAVG: 3538800 64.576 -52.4661 21.4046 -52.1908 -0.273391 -1.01259 21.6731 -1.3615 -14.3628 TIMING: 3538800 CPU: 11056.1, 0.00311289/step Wall: 11056.1, 0.00311289/step, 1.26349 hours remaining, 235.792969 MB of memory in use. ENERGY: 3538800 4002.9117 20539.5299 14445.2932 240.8712 -203542.3631 2912.5153 0.0000 0.0000 52257.5625 -109143.6793 300.3249 -161401.2418 -108784.4628 299.0829 42.7474 73.4253 763492.1494 16.5896 16.6466 PRESSURE: 3539000 178.338 -75.6934 138.681 -75.6935 140.766 -85.6859 138.682 -85.6865 140.224 GPRESSURE: 3539000 142.936 -26.8954 166.18 30.4229 212.907 -86.9355 97.1861 -29.2981 166.95 PRESSAVG: 3539000 50.6948 -55.549 32.249 -55.549 -31.4836 -21.8995 32.2489 -21.8996 0.531618 GPRESSAVG: 3539000 50.3091 -55.101 30.6485 -55.5396 -30.1007 -21.9813 33.829 -23.7303 -0.291739 TIMING: 3539000 CPU: 11056.7, 0.00309736/step Wall: 11056.7, 0.00309736/step, 1.25701 hours remaining, 235.792969 MB of memory in use. ENERGY: 3539000 3954.2962 20552.8688 14388.0570 244.8598 -203393.3234 2974.4130 0.0000 0.0000 52134.7063 -109144.1224 299.6189 -161278.8287 -108777.2039 300.0189 153.1092 174.2646 763325.0032 6.5809 6.6389 PRESSURE: 3539200 171.877 -83.4065 137.469 -83.4076 614.283 -478.926 137.469 -478.925 375.138 GPRESSURE: 3539200 171.911 -32.1564 210.916 -52.7081 587.755 -517.932 51.6067 -341.77 495.257 PRESSAVG: 3539200 -4.34746 -33.9468 42.9974 -33.9468 -11.6488 -1.93676 42.9975 -1.93667 -8.21195 GPRESSAVG: 3539200 -3.9801 -33.9368 44.3694 -33.5782 -12.2506 -2.74855 43.1823 -1.55641 -7.56049 TIMING: 3539200 CPU: 11057.3, 0.00310455/step Wall: 11057.3, 0.00310455/step, 1.25976 hours remaining, 235.792969 MB of memory in use. ENERGY: 3539200 3926.2689 20641.8695 14377.1565 249.2563 -203651.1514 3157.4042 0.0000 0.0000 52145.3536 -109153.8425 299.6801 -161299.1961 -108796.1246 299.9550 387.0992 418.3077 761332.0665 -8.0694 -7.9304 PRESSURE: 3539400 -165.194 38.2173 3.02051 38.2173 -292.174 -219.177 3.021 -219.178 95.3661 GPRESSURE: 3539400 -162.837 47.6464 64.6561 29.6515 -145.533 -237.837 35.2228 18.9136 70.848 PRESSAVG: 3539400 41.8255 -40.2369 11.7862 -40.2369 -10.4809 -47.0896 11.7862 -47.0896 4.29494 GPRESSAVG: 3539400 41.7561 -41.3455 11.4675 -41.3508 -9.26596 -46.0727 10.0919 -45.5453 3.22576 TIMING: 3539400 CPU: 11057.9, 0.00312928/step Wall: 11057.9, 0.00312928/step, 1.26962 hours remaining, 235.792969 MB of memory in use. ENERGY: 3539400 3949.5892 20386.7423 14411.2946 220.1140 -203281.1853 2664.5359 0.0000 0.0000 52595.9620 -109052.9475 302.2697 -161648.9094 -108680.0378 300.3894 -120.6673 -79.1737 762815.7547 11.8798 11.9053 PRESSURE: 3539600 -202.989 -81.8777 -19.7944 -81.8773 398.879 -341.801 -19.7939 -341.801 224.026 GPRESSURE: 3539600 -82.5597 1.9351 25.1689 -157.618 329.917 -283.652 -14.2415 -332.017 269.296 PRESSAVG: 3539600 20.7313 -1.70563 -11.9929 -1.70565 -12.7888 -20.138 -11.9929 -20.1381 -22.2484 GPRESSAVG: 3539600 19.6992 -1.49576 -14.1976 -1.39057 -13.0219 -20.6419 -9.74867 -20.6207 -20.8826 TIMING: 3539600 CPU: 11058.6, 0.00312332/step Wall: 11058.6, 0.00312332/step, 1.26703 hours remaining, 235.792969 MB of memory in use. ENERGY: 3539600 3976.3805 20492.1786 14492.7497 245.5760 -203177.2397 2518.4665 0.0000 0.0000 52266.8429 -109185.0456 300.3783 -161451.8885 -108819.8665 299.9695 139.9720 172.2178 761646.5031 -4.7687 -4.7351 PRESSURE: 3539800 574.102 150.779 -186.839 150.779 12.3507 82.5204 -186.84 82.5225 252.489 GPRESSURE: 3539800 559.132 23.6881 -108.278 27.1306 33.6774 106.567 -99.0619 64.4092 306.566 PRESSAVG: 3539800 13.7203 13.3528 -30.5088 13.3527 -13.6863 -61.4084 -30.5088 -61.4083 15.4432 GPRESSAVG: 3539800 15.2352 14.177 -28.1794 12.6778 -14.3721 -60.7771 -33.9391 -62.4134 14.5302 TIMING: 3539800 CPU: 11059.2, 0.00311265/step Wall: 11059.2, 0.00311265/step, 1.26252 hours remaining, 235.792969 MB of memory in use. ENERGY: 3539800 3992.0959 20552.0032 14462.6835 249.1637 -203694.1289 2919.4455 0.0000 0.0000 52005.9945 -109512.7426 298.8792 -161518.7371 -109153.7874 299.5461 279.6472 299.7918 762102.8374 5.1590 5.1311 PRESSURE: 3540000 35.0907 37.1267 3.66825 37.1266 59.5238 -17.6378 3.66883 -17.639 142.414 GPRESSURE: 3540000 145.082 71.8363 -12.5875 -85.6245 24.7806 11.2097 30.6974 -9.66064 143.737 PRESSAVG: 3540000 -29.2484 -17.556 -18.4357 -17.5561 10.1639 17.7977 -18.4357 17.7977 19.7446 GPRESSAVG: 3540000 -29.9584 -18.5109 -19.7034 -16.8015 10.0241 18.0812 -16.0569 18.4736 20.4524 TIMING: 3540000 CPU: 11059.8, 0.00310088/step Wall: 11059.8, 0.00310089/step, 1.25758 hours remaining, 235.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3540000 3899.0885 20390.8441 14486.6231 236.1391 -203311.9053 2689.0071 0.0000 0.0000 52230.0093 -109380.1940 300.1666 -161610.2033 -109013.3186 299.4719 79.0095 104.5333 761917.3085 0.2200 0.1727 PRESSURE: 3540200 234.244 60.7683 52.8666 60.7689 429.239 -56.5128 52.8672 -56.514 52.7527 GPRESSURE: 3540200 356.13 72.6711 103.611 44.8234 425.971 -35.5281 42.1848 -72.76 -5.36018 PRESSAVG: 3540200 5.3663 -39.4593 -16.5429 -39.4593 19.1129 31.9133 -16.5428 31.9133 2.5057 GPRESSAVG: 3540200 4.90739 -38.9462 -18.1815 -39.7298 19.0609 30.5067 -17.3997 31.4633 2.82612 TIMING: 3540200 CPU: 11060.4, 0.00310507/step Wall: 11060.4, 0.00310507/step, 1.25911 hours remaining, 235.792969 MB of memory in use. ENERGY: 3540200 3970.1410 20376.5689 14375.4004 242.4702 -203537.0064 2875.7639 0.0000 0.0000 52170.2581 -109526.4040 299.8232 -161696.6620 -109157.5115 299.1657 238.7453 258.9134 761618.5544 8.9950 8.9315 LDB: ============= START OF LOAD BALANCING ============== 11072.9 LDB: ============== END OF LOAD BALANCING =============== 11072.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11072.9 LDB: ============= START OF LOAD BALANCING ============== 11073.2 LDB: Largest compute 7077 load 0.030138 is 15.4% of average load 0.195187 LDB: Average compute 0.004373 is 2.2% of average load 0.195187 LDB: TIME 11073.2 LOAD: AVG 0.195187 MAX 0.214925 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.473 MB LDB: TIME 11073.2 LOAD: AVG 0.195187 MAX 0.214925 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.473 MB LDB: TIME 11073.2 LOAD: AVG 0.195187 MAX 0.214925 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.473 MB LDB: ============== END OF LOAD BALANCING =============== 11073.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11073.2 PRESSURE: 3540400 92.4819 23.3911 -187.327 23.3918 -333.956 90.2581 -187.327 90.2591 -132 GPRESSURE: 3540400 154.864 17.5337 -205.024 -14.6191 -326.112 57.7697 -186.92 124.255 -117.551 PRESSAVG: 3540400 22.5729 -18.1374 2.5987 -18.1374 26.4015 3.38354 2.59865 3.38356 -33.1614 GPRESSAVG: 3540400 21.8109 -18.8921 4.96979 -16.9454 27.5086 2.66054 3.08422 2.91881 -33.0906 TIMING: 3540400 CPU: 11061.1, 0.00318993/step Wall: 11061.1, 0.00318993/step, 1.29334 hours remaining, 234.753906 MB of memory in use. ENERGY: 3540400 3957.9221 20493.8846 14461.6987 211.5984 -203329.6587 2485.6615 0.0000 0.0000 52143.4969 -109575.3966 299.6694 -161718.8935 -109223.9754 298.7050 -124.4914 -96.2664 762610.8968 5.2710 5.4096 PRESSURE: 3540600 -253.513 235.026 -230.221 235.027 36.4521 -74.939 -230.222 -74.9384 -154.714 GPRESSURE: 3540600 -251.857 228.893 -202.059 274.509 24.668 -128.157 -120.737 -38.4927 -60.0828 PRESSAVG: 3540600 -21.7262 6.34922 -14.7008 6.34923 10.918 18.3734 -14.7008 18.3734 12.4791 GPRESSAVG: 3540600 -20.3549 7.45454 -15.9565 7.37815 10.1413 19.7115 -12.759 19.3612 11.6983 TIMING: 3540600 CPU: 11061.7, 0.00311059/step Wall: 11061.7, 0.00311059/step, 1.261 hours remaining, 234.753906 MB of memory in use. ENERGY: 3540600 3976.3846 20497.6567 14444.0989 257.9912 -203782.6577 2931.8490 0.0000 0.0000 52139.0375 -109535.6398 299.6438 -161674.6773 -109173.0532 298.8264 -123.9252 -95.7571 763431.5835 0.5570 0.4949 PRESSURE: 3540800 -347.161 -44.1848 -39.6169 -44.1848 -145.658 -115.245 -39.6161 -115.244 -77.8705 GPRESSURE: 3540800 -336.25 -10.0684 -33.0757 -215.975 -38.0312 -125.305 -127.986 -25.8221 -135.013 PRESSAVG: 3540800 6.07677 29.6396 36.4816 29.6395 -42.6487 28.4955 36.4816 28.4956 -12.8762 GPRESSAVG: 3540800 5.63717 28.4367 37.1756 28.1989 -41.5804 29.003 35.9047 27.4448 -12.9761 TIMING: 3540800 CPU: 11062.3, 0.00309049/step Wall: 11062.3, 0.00309049/step, 1.25268 hours remaining, 234.753906 MB of memory in use. ENERGY: 3540800 4044.2421 20683.3906 14407.8547 241.3166 -202962.3945 2404.3518 0.0000 0.0000 51693.9571 -109487.2815 297.0859 -161181.2386 -109131.9892 298.7862 -190.2300 -169.7649 763588.7964 -16.4827 -16.3065 PRESSURE: 3541000 349.89 84.9041 244.41 84.9036 71.4707 -281.999 244.411 -282 35.6497 GPRESSURE: 3541000 270.841 1.64182 318.518 42.9157 104.069 -226.893 187.076 -181.847 143.349 PRESSAVG: 3541000 28.7397 10.9767 -14.7276 10.9767 -31.6086 -35.1717 -14.7277 -35.1718 -2.05173 GPRESSAVG: 3541000 29.2557 9.30837 -15.9038 10.0972 -32.3902 -35.4356 -15.0236 -33.751 -1.95109 TIMING: 3541000 CPU: 11062.9, 0.00310582/step Wall: 11062.9, 0.00310582/step, 1.25872 hours remaining, 234.753906 MB of memory in use. ENERGY: 3541000 4098.9399 20471.7994 14471.4631 232.2618 -203741.2459 2969.0549 0.0000 0.0000 52042.8289 -109454.8979 299.0909 -161497.7268 -109084.4109 299.1648 152.3369 172.7530 760946.3894 -1.6402 -1.6952 PRESSURE: 3541200 94.692 -144.788 125.623 -144.787 233.341 -81.9194 125.624 -81.9194 -20.1566 GPRESSURE: 3541200 79.9045 -148.692 134.86 -166.965 282.222 -20.7941 77.402 -129.948 26.1804 PRESSAVG: 3541200 24.4886 7.28729 -47.7602 7.28715 -0.311328 6.49539 -47.7602 6.49542 -10.7199 GPRESSAVG: 3541200 24.6136 9.61731 -44.6721 6.00562 -0.688678 4.92427 -47.9675 7.32298 -10.4113 TIMING: 3541200 CPU: 11063.5, 0.0031103/step Wall: 11063.5, 0.0031103/step, 1.26036 hours remaining, 234.753906 MB of memory in use. ENERGY: 3541200 3992.3174 20538.8595 14473.5251 259.1528 -203151.4574 2557.7961 0.0000 0.0000 52065.4255 -109264.3810 299.2207 -161329.8066 -108910.5854 299.8634 102.6254 129.4357 761265.0700 4.4858 4.5045 PRESSURE: 3541400 -22.9764 -33.5511 146.233 -33.5503 -148.516 40.5823 146.233 40.5822 -69.0197 GPRESSURE: 3541400 -42.7062 39.3732 143.331 55.6841 -98.2713 42.5827 212.861 62.2904 -34.9296 PRESSAVG: 3541400 52.4836 30.7935 -28.5447 30.7935 -51.2185 -6.33074 -28.5447 -6.33077 -3.9289 GPRESSAVG: 3541400 52.5186 28.1216 -30.272 34.2233 -51.6367 -5.48124 -26.9156 -9.12714 -4.19648 TIMING: 3541400 CPU: 11064.2, 0.00312228/step Wall: 11064.2, 0.00312228/step, 1.26504 hours remaining, 234.753906 MB of memory in use. ENERGY: 3541400 3974.9845 20618.7639 14431.0872 257.2422 -203325.6219 2732.1479 0.0000 0.0000 52161.3509 -109150.0454 299.7720 -161311.3963 -108790.9012 299.8895 -80.1706 -58.6357 760086.0116 -0.8879 -1.1048 PRESSURE: 3541600 -181.273 24.5566 6.59677 24.5566 44.729 -171.472 6.59673 -171.471 -431.636 GPRESSURE: 3541600 -105.554 -27.2168 22.2075 91.0491 77.1187 -98.3638 -5.29497 -335.34 -454.774 PRESSAVG: 3541600 -0.289105 -11.539 16.1928 -11.5389 26.775 -2.28504 16.1927 -2.28506 -2.64973 GPRESSAVG: 3541600 -1.38458 -9.46552 16.596 -14.0584 29.0296 -0.162684 14.5273 -1.86015 -3.49841 TIMING: 3541600 CPU: 11064.8, 0.00311728/step Wall: 11064.8, 0.00311728/step, 1.26285 hours remaining, 234.753906 MB of memory in use. ENERGY: 3541600 4040.6653 20396.3098 14489.4364 236.8125 -203013.9196 2354.9092 0.0000 0.0000 52257.0204 -109238.7659 300.3218 -161495.7863 -108868.3180 300.3756 -189.3931 -161.0698 762760.6841 7.9454 8.0489 PRESSURE: 3541800 239.54 -46.7791 104.309 -46.7787 -118.21 48.2027 104.309 48.2031 -236.278 GPRESSURE: 3541800 211.921 -136.729 38.283 -161.952 -29.0587 100.71 157.971 71.9754 -237.546 PRESSAVG: 3541800 50.1669 -35.2135 9.45266 -35.2136 -13.5646 29.1852 9.45263 29.1852 10.4815 GPRESSAVG: 3541800 51.4936 -35.844 10.3519 -34.5602 -17.2535 26.3037 11.3225 29.8609 12.4258 TIMING: 3541800 CPU: 11065.4, 0.00312564/step Wall: 11065.4, 0.00312564/step, 1.26606 hours remaining, 234.753906 MB of memory in use. ENERGY: 3541800 3916.8604 20660.5600 14417.4845 228.5164 -202942.8187 2453.7824 0.0000 0.0000 51967.4328 -109298.1821 298.6576 -161265.6149 -108942.8618 299.2077 -38.3161 -18.2278 763495.3944 15.6946 15.5553 PRESSURE: 3542000 -7.64785 -74.4682 95.8012 -74.4679 -513.512 92.4942 95.8013 92.4938 -342.897 GPRESSURE: 3542000 -76.6985 12.9754 189.219 -87.6689 -381.266 27.6347 212.188 -123.093 -309.707 PRESSAVG: 3542000 68.418 21.2364 20.044 21.2365 -55.2986 53.1327 20.0441 53.1328 -6.22195 GPRESSAVG: 3542000 66.1061 20.334 19.1561 21.9245 -52.1664 52.9277 16.3111 51.8387 -6.77041 TIMING: 3542000 CPU: 11066, 0.00311342/step Wall: 11066, 0.00311343/step, 1.26094 hours remaining, 234.753906 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: 3542000 3977.3104 20510.3603 14439.5766 245.9874 -202909.1099 2336.3317 0.0000 0.0000 52190.8577 -109208.6857 299.9416 -161399.5434 -108844.2282 299.8837 -288.0189 -255.8903 763650.1374 2.2992 2.3898 PRESSURE: 3542200 103.265 -192.546 257.019 -192.546 -92.6563 -119.398 257.02 -119.399 -351.118 GPRESSURE: 3542200 80.0655 -239.671 284.032 -238.647 114.743 -81.1617 283.411 -78.14 -461.073 PRESSAVG: 3542200 27.6904 -19.3418 39.6895 -19.3419 -13.021 -11.737 39.6894 -11.737 5.37834 GPRESSAVG: 3542200 28.5555 -17.3579 38.9243 -20.4851 -12.9647 -11.1143 40.2848 -11.3687 4.35166 TIMING: 3542200 CPU: 11066.7, 0.00310178/step Wall: 11066.7, 0.00310178/step, 1.25605 hours remaining, 234.753906 MB of memory in use. ENERGY: 3542200 3938.9905 20575.1158 14367.9353 234.1208 -202880.6894 2517.8209 0.0000 0.0000 51932.4589 -109314.2473 298.4566 -161246.7061 -108957.9601 299.2970 -113.5030 -88.7549 763242.9837 6.6826 6.6475 PRESSURE: 3542400 -184.638 -104.941 81.9673 -104.942 -339.923 154.549 81.9675 154.548 76.2718 GPRESSURE: 3542400 -138.012 -140.608 161.725 -40.3546 -314.789 110.595 235.512 155.729 91.4154 PRESSAVG: 3542400 53.7052 -33.6944 66.3366 -33.6944 -37.669 -37.897 66.3366 -37.897 -5.77138 GPRESSAVG: 3542400 53.9709 -34.9887 65.69 -34.0906 -39.4621 -39.185 67.9003 -36.1458 -4.36362 TIMING: 3542400 CPU: 11067.3, 0.00309097/step Wall: 11067.3, 0.00309097/step, 1.2515 hours remaining, 234.753906 MB of memory in use. ENERGY: 3542400 4012.0285 20432.1286 14433.5468 243.4565 -203254.6660 2878.6759 0.0000 0.0000 52050.4307 -109204.3990 299.1345 -161254.8297 -108840.5894 299.5354 -149.4298 -120.4617 764531.4700 3.4216 3.3817 PRESSURE: 3542600 448.45 175.09 49.5139 175.091 -62.8339 447.186 49.513 447.186 210.145 GPRESSURE: 3542600 471.853 124.532 17.228 16.0035 53.0675 425.608 31.8858 333.437 142.996 PRESSAVG: 3542600 24.3534 -22.402 62.3515 -22.402 10.283 75.5277 62.3515 75.5278 -47.2495 GPRESSAVG: 3542600 23.8845 -21.6958 62.7397 -21.6387 10.6481 76.1451 62.5775 75.016 -47.6879 TIMING: 3542600 CPU: 11067.9, 0.00309333/step Wall: 11067.9, 0.00309333/step, 1.25228 hours remaining, 234.753906 MB of memory in use. ENERGY: 3542600 3935.4753 20492.9664 14498.6798 252.8140 -203224.3059 2825.2880 0.0000 0.0000 52154.1403 -109064.9420 299.7306 -161219.0823 -108709.5193 299.3957 198.5871 222.6389 762716.3541 -4.2044 -4.3851 PRESSURE: 3542800 -3.06505 -253.175 240.888 -253.175 246.194 -188.087 240.888 -188.087 292.052 GPRESSURE: 3542800 -1.93929 -84.8676 183.93 -249.315 343.719 -226.837 173.986 -142.09 270.257 PRESSAVG: 3542800 -30.3407 3.75272 75.9753 3.7527 17.5024 -1.72812 75.9753 -1.72811 10.0926 GPRESSAVG: 3542800 -32.4551 4.1671 78.5762 2.22188 18.4659 -2.12269 75.0164 -1.91391 10.9087 TIMING: 3542800 CPU: 11068.5, 0.00309845/step Wall: 11068.5, 0.00309845/step, 1.25418 hours remaining, 234.753906 MB of memory in use. ENERGY: 3542800 3985.6777 20489.0730 14309.7665 247.4543 -202959.9064 2830.2925 0.0000 0.0000 52212.3419 -108885.3004 300.0650 -161097.6423 -108517.6937 299.7938 178.3936 204.0122 761285.4724 -0.9152 -1.0268 PRESSURE: 3543000 174.493 -32.8938 -87.9302 -32.8938 -254.665 88.7941 -87.9293 88.7932 -547.789 GPRESSURE: 3543000 149.806 -9.50838 -65.1789 56.4563 -276.675 155.063 -3.8119 26.0684 -419.843 PRESSAVG: 3543000 4.45402 14.9468 38.7432 14.9468 -1.65475 20.6753 38.7432 20.6753 18.6529 GPRESSAVG: 3543000 6.94608 13.5458 34.7915 17.6754 -3.27948 23.3571 37.6738 19.4377 17.4736 TIMING: 3543000 CPU: 11069.1, 0.00310287/step Wall: 11069.1, 0.00310287/step, 1.2558 hours remaining, 234.753906 MB of memory in use. ENERGY: 3543000 4035.3397 20492.3073 14482.0550 248.5437 -202678.1335 2522.3292 0.0000 0.0000 51906.5079 -108991.0506 298.3074 -160897.5584 -108620.5506 300.3904 -209.3203 -182.2372 765711.2798 7.1507 7.0467 PRESSURE: 3543200 90.5404 -39.3075 65.7688 -39.3086 103.558 -258.479 65.7682 -258.479 -175.464 GPRESSURE: 3543200 114.113 -124.302 83.1859 -12.1956 178.562 -195.032 92.2229 -297.021 -170.457 PRESSAVG: 3543200 21.5601 4.15756 72.4715 4.15758 -7.86679 48.6457 72.4715 48.6456 -12.566 GPRESSAVG: 3543200 20.757 2.46688 74.0703 3.96367 -7.79207 45.0278 72.7255 48.7121 -11.8886 TIMING: 3543200 CPU: 11069.8, 0.00312811/step Wall: 11069.8, 0.00312811/step, 1.26584 hours remaining, 234.753906 MB of memory in use. ENERGY: 3543200 4016.1037 20608.9788 14494.0202 230.7826 -203567.8334 2912.6247 0.0000 0.0000 52142.0897 -109163.2337 299.6613 -161305.3234 -108806.7580 299.3144 6.2116 40.7395 763091.5697 0.3758 0.3588 PRESSURE: 3543400 44.684 -68.7976 132.1 -68.7979 46.8144 -90.8426 132.1 -90.8425 -66.4887 GPRESSURE: 3543400 29.5808 119.608 135.292 -10.8805 145.062 -108.665 213.164 -36.7582 -52.5289 PRESSAVG: 3543400 -15.493 -11.3826 24.1699 -11.3826 -1.32973 43.4898 24.1698 43.4897 -13.1473 GPRESSAVG: 3543400 -15.8239 -9.63836 22.5452 -10.8976 -1.24166 45.2254 24.7147 44.4035 -12.7112 TIMING: 3543400 CPU: 11070.4, 0.0030939/step Wall: 11070.4, 0.0030939/step, 1.25183 hours remaining, 234.753906 MB of memory in use. ENERGY: 3543400 3959.7131 20473.5620 14522.8362 255.1404 -203001.4506 2692.8315 0.0000 0.0000 52076.6526 -109020.7148 299.2852 -161097.3674 -108654.0334 299.5946 8.3366 40.7048 764480.0699 -9.9900 -9.9256 PRESSURE: 3543600 411.604 -122.067 -123.456 -122.067 -158.347 -80.6615 -123.455 -80.6614 -60.5353 GPRESSURE: 3543600 439.985 -29.0748 -149.151 -173.447 -135.137 -211.211 -85.7405 49.2674 -24.9302 PRESSAVG: 3543600 106.489 11.2804 -23.9319 11.2804 -84.0101 -7.93876 -23.9319 -7.93872 -11.4338 GPRESSAVG: 3543600 107.259 13.3594 -21.7704 10.1594 -84.0909 -8.35793 -23.6738 -7.77323 -11.851 TIMING: 3543600 CPU: 11071, 0.00311573/step Wall: 11071, 0.00311573/step, 1.26048 hours remaining, 234.753906 MB of memory in use. ENERGY: 3543600 3990.4443 20451.3537 14462.2916 227.4044 -203109.2162 2499.6357 0.0000 0.0000 52359.3893 -109118.6970 300.9101 -161478.0864 -108762.4117 299.6078 64.2403 93.3061 763791.2940 3.6816 3.7724 PRESSURE: 3543800 53.6055 2.63312 128.925 2.6334 -262.309 106.625 128.925 106.625 307.732 GPRESSURE: 3543800 62.0011 -124.298 186.964 33.6127 -220.183 103.975 116.71 126.038 326.619 PRESSAVG: 3543800 78.2011 -16.4195 -32.1316 -16.4195 -62.3307 -4.24437 -32.1315 -4.24424 -8.47045 GPRESSAVG: 3543800 77.7181 -20.3234 -32.5349 -13.0557 -61.9662 -2.48561 -33.3678 -5.18962 -8.13328 TIMING: 3543800 CPU: 11071.6, 0.00309904/step Wall: 11071.6, 0.00309904/step, 1.25356 hours remaining, 234.753906 MB of memory in use. ENERGY: 3543800 4014.6912 20670.9005 14479.5825 240.6766 -203389.2595 2653.2888 0.0000 0.0000 52245.0959 -109085.0240 300.2533 -161330.1199 -108729.7763 299.9543 33.0094 56.1458 762395.1286 2.4667 2.5395 PRESSURE: 3544000 81.6298 165.626 -87.3597 165.626 9.83575 61.6951 -87.36 61.6956 349.482 GPRESSURE: 3544000 163.739 68.0315 -216.27 12.9613 26.3252 -19.4958 -15.9424 1.98452 314.037 PRESSAVG: 3544000 49.3166 -9.45753 34.0202 -9.4575 -69.6556 57.4379 34.0201 57.4379 1.80465 GPRESSAVG: 3544000 48.6561 -10.2969 32.6344 -14.0809 -69.3911 56.4036 36.956 57.9007 1.53484 TIMING: 3544000 CPU: 11072.2, 0.00310223/step Wall: 11072.2, 0.00310223/step, 1.25468 hours remaining, 234.753906 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: 3544000 3971.4560 20453.8822 14472.0171 237.4038 -203325.3055 2767.4074 0.0000 0.0000 52469.6553 -108953.4839 301.5438 -161423.1391 -108586.0772 300.0516 146.9825 168.0336 762532.4305 -6.1781 -6.4001 PRESSURE: 3544200 140.553 -202.565 224.741 -202.564 -235.735 177.19 224.741 177.19 -29.3261 GPRESSURE: 3544200 98.444 -20.2556 72.1947 -147.973 -139.579 181.584 279.553 165.503 25.0053 PRESSAVG: 3544200 57.6757 -68.2529 21.0385 -68.2529 -12.052 37.0048 21.0385 37.0048 -16.3333 GPRESSAVG: 3544200 57.8156 -67.6306 20.3302 -65.617 -13.1996 35.4491 19.5835 36.8179 -16.0555 TIMING: 3544200 CPU: 11072.9, 0.00309718/step Wall: 11072.9, 0.00309717/step, 1.25246 hours remaining, 234.753906 MB of memory in use. ENERGY: 3544200 3956.1040 20576.0140 14464.0213 248.9554 -202901.9732 2407.0348 0.0000 0.0000 52226.3804 -109023.4633 300.1457 -161249.8437 -108661.7192 300.5046 -41.5029 -5.3766 762938.8315 9.7634 9.5202 LDB: ============= START OF LOAD BALANCING ============== 11085.3 LDB: ============== END OF LOAD BALANCING =============== 11085.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11085.3 LDB: ============= START OF LOAD BALANCING ============== 11085.6 LDB: Largest compute 7078 load 0.028706 is 14.7% of average load 0.195255 LDB: Average compute 0.004358 is 2.2% of average load 0.195255 LDB: TIME 11085.7 LOAD: AVG 0.195255 MAX 0.214353 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.977 MB LDB: TIME 11085.7 LOAD: AVG 0.195255 MAX 0.214353 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.977 MB LDB: TIME 11085.7 LOAD: AVG 0.195255 MAX 0.214353 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.977 MB LDB: ============== END OF LOAD BALANCING =============== 11085.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11085.7 PRESSURE: 3544400 -133.656 72.8526 39.3478 72.8525 -62.0777 -294.28 39.3483 -294.279 114.442 GPRESSURE: 3544400 -87.2267 110.129 115.576 -68.5263 -12.9067 -268.798 -28.7867 -276.004 123.237 PRESSAVG: 3544400 17.2989 -23.8862 10.5497 -23.8863 -53.6235 -6.62411 10.5498 -6.62417 -16.4656 GPRESSAVG: 3544400 17.5448 -21.7847 11.2047 -24.9679 -53.8598 -5.07144 9.22486 -7.78889 -17.0517 TIMING: 3544400 CPU: 11073.5, 0.00317195/step Wall: 11073.5, 0.00317195/step, 1.28252 hours remaining, 234.179688 MB of memory in use. ENERGY: 3544400 3892.9713 20466.7666 14523.5921 256.6096 -203083.8582 2575.1450 0.0000 0.0000 52282.3183 -109086.4552 300.4672 -161368.7736 -108728.9627 300.1248 -27.0971 7.7013 761522.0183 -17.5967 -17.7889 PRESSURE: 3544600 44.4927 -88.3346 41.5426 -88.3342 -254.658 142.31 41.5423 142.31 -288.862 GPRESSURE: 3544600 22.1741 7.01512 -39.231 -43.1468 -130.837 152.616 275.187 131.965 -298.439 PRESSAVG: 3544600 24.0128 -46.5677 -24.6692 -46.5677 -14.0638 55.2481 -24.6691 55.248 12.3757 GPRESSAVG: 3544600 22.9678 -46.3107 -23.6707 -46.8868 -12.6489 54.7228 -23.4743 54.2216 11.8602 TIMING: 3544600 CPU: 11074.1, 0.00310048/step Wall: 11074.1, 0.00310048/step, 1.25345 hours remaining, 234.179688 MB of memory in use. ENERGY: 3544600 4002.3333 20558.6748 14423.7350 255.9391 -202904.4365 2640.6656 0.0000 0.0000 52020.0582 -109003.0305 298.9600 -161023.0888 -108646.0702 300.1854 -166.3425 -135.7006 763658.7934 7.4416 7.3930 PRESSURE: 3544800 379.462 -82.3733 -158.6 -82.3727 -41.6045 -47.3487 -158.599 -47.3496 -128.11 GPRESSURE: 3544800 339.252 -56.3251 -151.894 -95.5476 -15.894 -93.1925 -146.758 183.948 -55.4249 PRESSAVG: 3544800 37.9886 -77.5497 55.5522 -77.5496 -8.90181 -10.5273 55.5522 -10.5274 5.07403 GPRESSAVG: 3544800 38.943 -79.9227 54.99 -76.9223 -9.38287 -11.2301 56.3028 -8.45991 4.80912 TIMING: 3544800 CPU: 11074.7, 0.00309528/step Wall: 11074.7, 0.00309528/step, 1.25118 hours remaining, 234.179688 MB of memory in use. ENERGY: 3544800 4017.7753 20626.0792 14465.5485 264.8239 -203365.3074 2704.2451 0.0000 0.0000 52320.2901 -108966.5454 300.6854 -161286.8354 -108595.9740 300.1360 69.9158 89.3109 761568.2932 11.3869 11.4564 PRESSURE: 3545000 16.044 -236.211 -62.4927 -236.21 -18.4522 -373.925 -62.4938 -373.924 117.506 GPRESSURE: 3545000 72.2542 -161.067 53.6511 -269.363 92.2079 -379.915 -150.918 -270.546 30.2039 PRESSAVG: 3545000 27.5543 -28.8583 43.764 -28.8583 -49.9916 39.014 43.764 39.014 7.37717 GPRESSAVG: 3545000 27.2299 -28.2945 43.2573 -29.7022 -50.4799 40.2622 43.0702 38.9027 8.16528 TIMING: 3545000 CPU: 11075.4, 0.00309632/step Wall: 11075.4, 0.00309632/step, 1.25143 hours remaining, 234.179688 MB of memory in use. ENERGY: 3545000 4037.2786 20371.3163 14529.0825 241.9678 -202894.3469 2570.2780 0.0000 0.0000 52221.2234 -108923.2005 300.1161 -161144.4239 -108563.6663 300.6892 38.3658 64.8887 762933.2320 -5.0200 -5.0282 PRESSURE: 3545200 -121.867 101.124 -116.637 101.125 129.129 -154.453 -116.637 -154.454 -323.659 GPRESSURE: 3545200 -170.382 40.2593 -129.018 89.4168 277.539 -128.685 93.4389 -95.6536 -334.024 PRESSAVG: 3545200 65.8917 -30.9893 -1.05196 -30.9893 -41.0123 10.6707 -1.05193 10.6707 -13.3332 GPRESSAVG: 3545200 65.735 -29.5859 -1.29936 -31.0876 -40.352 8.95241 0.633832 11.0343 -13.4104 TIMING: 3545200 CPU: 11076, 0.00309701/step Wall: 11076, 0.00309701/step, 1.25153 hours remaining, 234.179688 MB of memory in use. ENERGY: 3545200 3997.2612 20413.8355 14462.9317 235.8679 -203129.7637 2727.2234 0.0000 0.0000 52466.8372 -108825.8069 301.5276 -161292.6440 -108461.7588 300.9852 -105.4658 -75.6223 762557.1398 3.8488 3.9908 PRESSURE: 3545400 -49.6713 -226.252 51.7467 -226.252 -399.728 124.126 51.7461 124.126 -82.4137 GPRESSURE: 3545400 -52.6427 -111.327 23.319 -175.922 -309.619 216.847 87.4751 232.404 -88.1399 PRESSAVG: 3545400 -5.03782 -23.4269 35.1866 -23.4268 8.16241 -61.2766 35.1866 -61.2765 13.3325 GPRESSAVG: 3545400 -5.615 -20.6643 37.0086 -22.6869 7.23622 -60.0826 33.1071 -62.162 14.5697 TIMING: 3545400 CPU: 11076.6, 0.00312616/step Wall: 11076.6, 0.00312616/step, 1.26314 hours remaining, 234.179688 MB of memory in use. ENERGY: 3545400 4023.2331 20702.2307 14434.6376 234.4788 -202859.1969 2567.9246 0.0000 0.0000 51947.4968 -108949.1953 298.5430 -160896.6921 -108593.9651 300.5569 -177.2710 -150.1338 764589.7889 5.4857 5.3970 PRESSURE: 3545600 19.1124 61.0171 -72.89 61.0176 -149.065 -59.8279 -72.8897 -59.8286 -139.276 GPRESSURE: 3545600 66.0799 153.698 -8.64106 67.8504 -114.671 -88.2655 47.9304 -93.0647 -121.974 PRESSAVG: 3545600 11.6249 -42.4369 14.3809 -42.437 -1.42004 -7.73616 14.3808 -7.73614 9.40592 GPRESSAVG: 3545600 12.6271 -44.16 13.7431 -41.8241 -0.537461 -8.61887 15.634 -6.99491 8.15481 TIMING: 3545600 CPU: 11077.2, 0.00310966/step Wall: 11077.2, 0.00310966/step, 1.2563 hours remaining, 234.179688 MB of memory in use. ENERGY: 3545600 3996.6024 20509.7006 14438.8168 266.2464 -203350.8339 2793.6494 0.0000 0.0000 52388.5547 -108957.2636 301.0777 -161345.8183 -108587.6233 300.5450 -89.7431 -56.8550 762849.2125 6.5369 6.7481 PRESSURE: 3545800 94.4471 -27.0818 -248.678 -27.0834 -31.0392 237.306 -248.678 237.307 -191.545 GPRESSURE: 3545800 79.6318 -54.9286 -200.301 -74.8365 -17.9716 237.335 -144.711 238.594 -104.435 PRESSAVG: 3545800 -8.34793 -55.3641 18.5104 -55.3641 19.5833 9.01731 18.5104 9.0172 33.368 GPRESSAVG: 3545800 -8.56708 -55.5302 18.0886 -56.3054 19.4201 10.0373 17.5311 8.4494 33.241 TIMING: 3545800 CPU: 11077.8, 0.00311155/step Wall: 11077.8, 0.00311155/step, 1.25689 hours remaining, 234.179688 MB of memory in use. ENERGY: 3545800 4030.7875 20412.5608 14447.3608 234.8551 -203101.8218 2969.7247 0.0000 0.0000 52202.0793 -108804.4536 300.0061 -161006.5329 -108442.9422 300.1389 -42.7124 -14.2582 764714.2372 14.8678 14.6980 PRESSURE: 3546000 -150.131 -100.584 300.929 -100.585 -57.3985 56.8717 300.928 56.8724 -304.96 GPRESSURE: 3546000 -113.938 -129.429 274.479 -126.307 -9.60895 21.7288 264.571 60.2654 -301.307 PRESSAVG: 3546000 31.6655 -70.8451 -16.4234 -70.8451 -7.12049 -24.3118 -16.4234 -24.3117 2.16937 GPRESSAVG: 3546000 31.2932 -70.2144 -17.0059 -71.5665 -6.29497 -23.8755 -15.2518 -24.0243 1.82132 TIMING: 3546000 CPU: 11078.5, 0.0031304/step Wall: 11078.5, 0.0031304/step, 1.26433 hours remaining, 234.179688 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: 3546000 4044.4288 20459.0609 14495.1958 234.7190 -202503.5640 2515.5506 0.0000 0.0000 51989.9711 -108764.6378 298.7871 -160754.6089 -108416.2276 300.2164 -170.8301 -141.6183 763749.7856 8.9048 8.9398 PRESSURE: 3546200 267.208 -39.7245 36.2781 -39.7252 -23.2019 46.0683 36.2779 46.0687 -324.793 GPRESSURE: 3546200 290.026 -26.991 26.3836 -128.71 25.004 97.7485 22.4961 63.0555 -300.564 PRESSAVG: 3546200 81.467 -38.275 -22.9947 -38.2751 -76.2653 11.181 -22.9947 11.181 -7.29913 GPRESSAVG: 3546200 82.2734 -38.9735 -21.7642 -38.027 -76.6758 10.4538 -23.6265 12.4252 -7.20863 TIMING: 3546200 CPU: 11079.1, 0.00310986/step Wall: 11079.1, 0.00310986/step, 1.25587 hours remaining, 234.179688 MB of memory in use. ENERGY: 3546200 3956.3756 20413.1888 14511.4040 241.2802 -202797.4001 2652.3102 0.0000 0.0000 51883.4844 -109139.3568 298.1751 -161022.8412 -108776.6064 299.4958 -26.9290 4.8218 763935.9034 -0.6991 -0.5370 PRESSURE: 3546400 -192.869 -30.3575 241.891 -30.3574 -235.125 -3.91214 241.892 -3.91216 -584.553 GPRESSURE: 3546400 -219.52 71.8745 228.077 -186.85 -159.133 66.3012 298.682 -67.6756 -556.583 PRESSAVG: 3546400 24.2063 -31.7323 18.2023 -31.7322 -37.338 3.87688 18.2022 3.87688 17.6968 GPRESSAVG: 3546400 22.9171 -32.9806 17.9749 -28.976 -37.1178 3.52563 17.0485 3.68134 18.1442 TIMING: 3546400 CPU: 11079.7, 0.00311755/step Wall: 11079.7, 0.00311755/step, 1.2588 hours remaining, 234.179688 MB of memory in use. ENERGY: 3546400 4020.9514 20320.4925 14449.6343 254.8440 -202923.8928 2275.4029 0.0000 0.0000 52066.7860 -109535.7817 299.2285 -161602.5677 -109175.6646 299.0779 -337.5157 -311.7455 763102.4984 1.5217 1.3145 PRESSURE: 3546600 -570.696 217.696 28.1934 217.696 35.6214 102.486 28.1926 102.486 -188.93 GPRESSURE: 3546600 -518.194 140.022 -77.7106 281.995 87.9064 30.0389 35.8873 39.3465 -223.988 PRESSAVG: 3546600 -21.3434 -53.8411 -39.214 -53.8411 -24.1387 -3.08598 -39.2139 -3.08604 9.49781 GPRESSAVG: 3546600 -20.0444 -53.3774 -38.0932 -55.3606 -25.1084 -2.77709 -40.3766 -2.60086 9.22229 TIMING: 3546600 CPU: 11080.3, 0.00310331/step Wall: 11080.3, 0.00310331/step, 1.25287 hours remaining, 234.179688 MB of memory in use. ENERGY: 3546600 3910.3135 20620.0185 14498.8719 261.4232 -203235.1074 2453.8816 0.0000 0.0000 52066.6561 -109423.9425 299.2278 -161490.5986 -109067.3673 298.7765 -241.3347 -218.0919 762642.6568 -11.9948 -11.9768 PRESSURE: 3546800 107.79 -11.481 37.5896 -11.4807 38.4072 64.1171 37.59 64.1177 71.3257 GPRESSURE: 3546800 190.707 -27.0817 83.7661 -24.2433 23.293 -20.2657 -53.258 126.279 80.5424 PRESSAVG: 3546800 -54.0893 -51.8336 -18.1355 -51.8336 37.186 -46.7777 -18.1356 -46.7778 14.6485 GPRESSAVG: 3546800 -54.2916 -51.5826 -18.4015 -50.8594 37.1793 -46.8849 -17.3638 -48.2506 14.7368 TIMING: 3546800 CPU: 11081, 0.00309932/step Wall: 11081, 0.00309932/step, 1.25109 hours remaining, 234.179688 MB of memory in use. ENERGY: 3546800 3981.7768 20617.1278 14443.9739 259.3309 -203394.0088 2736.6457 0.0000 0.0000 51951.2892 -109403.8646 298.5648 -161355.1537 -109049.5880 298.9145 72.5077 98.1807 760314.9730 -0.7516 -0.7918 PRESSURE: 3547000 -122.236 -292.957 -9.99203 -292.957 -46.8624 121.8 -9.99298 121.8 41.9746 GPRESSURE: 3547000 -74.4689 -452.046 22.2513 -347.277 -17.866 37.8164 -0.722774 184.347 57.782 PRESSAVG: 3547000 38.7669 -73.3662 -47.4686 -73.3662 -2.60078 -38.8292 -47.4686 -38.8293 -8.32998 GPRESSAVG: 3547000 39.3569 -72.5354 -47.8331 -76.1062 -2.08468 -38.1367 -46.0522 -36.6074 -8.99361 TIMING: 3547000 CPU: 11081.6, 0.00309669/step Wall: 11081.6, 0.00309669/step, 1.24986 hours remaining, 234.179688 MB of memory in use. ENERGY: 3547000 3969.3508 20616.9285 14475.7355 250.6212 -203466.0132 2590.7513 0.0000 0.0000 51992.5489 -109570.0771 298.8019 -161562.6259 -109197.4356 299.0755 -42.3747 -11.5176 761011.1310 9.2787 9.4262 PRESSURE: 3547200 177.422 4.6159 -214.386 4.61522 99.1882 58.9482 -214.386 58.9482 180.127 GPRESSURE: 3547200 160.565 56.7036 -180.98 8.95851 218.81 20.4024 -288.334 -111.527 150.28 PRESSAVG: 3547200 -8.19823 -48.012 14.7054 -48.012 25.9916 6.08119 14.7054 6.08118 20.0887 GPRESSAVG: 3547200 -9.17894 -49.1343 15.449 -46.8392 25.9335 4.80588 15.2008 4.19074 20.4298 TIMING: 3547200 CPU: 11082.2, 0.00309805/step Wall: 11082.2, 0.00309805/step, 1.25024 hours remaining, 234.179688 MB of memory in use. ENERGY: 3547200 3901.4501 20583.6419 14403.7786 233.8546 -203162.8787 2711.0252 0.0000 0.0000 51926.0155 -109403.1127 298.4195 -161329.1282 -109045.9434 298.6653 152.2459 176.5519 762345.6506 12.6273 12.3948 PRESSURE: 3547400 -192.069 31.7429 -23.1056 31.743 279.857 -3.37416 -23.1059 -3.37374 -37.096 GPRESSURE: 3547400 -173.347 125.912 0.988814 -20.0006 247.954 -60.5883 -11.2343 73.5827 63.4772 PRESSAVG: 3547400 0.0181803 -9.83075 -52.0219 -9.83076 -16.166 -17.039 -52.0219 -17.039 10.4569 GPRESSAVG: 3547400 -0.496243 -7.01725 -52.1234 -10.4249 -15.9365 -15.0397 -53.2744 -16.1641 10.7495 TIMING: 3547400 CPU: 11082.8, 0.00309895/step Wall: 11082.8, 0.00309895/step, 1.25042 hours remaining, 234.179688 MB of memory in use. ENERGY: 3547400 3993.2619 20630.7936 14418.6020 255.8060 -203244.9712 2572.8528 0.0000 0.0000 51911.2011 -109462.4537 298.3344 -161373.6548 -109099.8686 299.0166 16.8971 46.0281 762677.5872 -1.8970 -1.8944 PRESSURE: 3547600 329.145 -146.965 -33.3401 -146.966 238.008 230.74 -33.3398 230.739 316.968 GPRESSURE: 3547600 268.788 -128.478 -103.278 -26.1744 379.439 212.741 6.63536 93.5401 325.858 PRESSAVG: 3547600 15.0306 17.3468 10.3443 17.3468 -22.1212 13.9157 10.3443 13.9156 -31.3332 GPRESSAVG: 3547600 15.751 13.8832 8.90551 18.6534 -22.2323 14.2324 11.3135 13.1961 -32.1413 TIMING: 3547600 CPU: 11083.4, 0.00309997/step Wall: 11083.4, 0.00309997/step, 1.25066 hours remaining, 234.179688 MB of memory in use. ENERGY: 3547600 3904.8688 20593.6566 14474.7924 252.0256 -203780.2163 2977.4650 0.0000 0.0000 52244.3076 -109333.1002 300.2488 -161577.4079 -108970.0930 299.3997 294.7071 324.6949 761144.4403 -12.8079 -12.8742 PRESSURE: 3547800 -201.329 -27.1542 -88.4253 -27.1546 162.222 25.1267 -88.426 25.1269 106.609 GPRESSURE: 3547800 -99.0003 18.7573 -165.274 -70.7071 165.447 -43.4359 -0.549333 40.9322 83.7598 PRESSAVG: 3547800 51.5318 -18.5244 -44.3277 -18.5244 -19.1056 30.6067 -44.3277 30.6068 -0.725237 GPRESSAVG: 3547800 51.0524 -16.216 -43.0477 -19.4788 -19.7546 29.1664 -44.4339 31.3112 0.211837 TIMING: 3547800 CPU: 11084, 0.00309339/step Wall: 11084, 0.00309339/step, 1.24784 hours remaining, 234.179688 MB of memory in use. ENERGY: 3547800 4049.1124 20597.6857 14475.6987 232.7739 -203224.6653 2574.0933 0.0000 0.0000 51938.3873 -109356.9142 298.4906 -161295.3014 -108991.5317 299.2294 22.5006 50.0687 760694.2507 10.5670 10.5032 PRESSURE: 3548000 -158.488 -44.8525 88.1999 -44.8528 -233.249 -96.1591 88.1998 -96.1594 181.071 GPRESSURE: 3548000 -100.712 108.862 72.0948 16.9568 -179.726 -90.9032 15.3998 24.9831 176.993 PRESSAVG: 3548000 25.5066 -54.0565 5.81785 -54.0564 -37.1157 50.5244 5.81781 50.5244 2.21457 GPRESSAVG: 3548000 25.2691 -54.8723 3.97759 -54.2199 -35.9601 49.1784 4.92811 52.1337 1.95964 TIMING: 3548000 CPU: 11084.7, 0.00312829/step Wall: 11084.7, 0.00312829/step, 1.26174 hours remaining, 234.179688 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: 3548000 3994.3588 20540.7091 14514.1634 259.2363 -203239.1817 2489.0656 0.0000 0.0000 52184.6477 -109257.0008 299.9059 -161441.6485 -108893.5060 298.8952 -70.2219 -34.4816 762666.3806 -3.1315 -2.9104 PRESSURE: 3548200 -52.1472 223.332 -143.17 223.332 -217.949 -113.639 -143.17 -113.64 223.948 GPRESSURE: 3548200 20.7506 277.404 -35.3549 135.796 -158.899 -156.058 -43.9682 59.954 162.879 PRESSAVG: 3548200 16.1897 -29.6533 -32.3057 -29.6533 13.2611 68.8784 -32.3057 68.8784 30.5262 GPRESSAVG: 3548200 15.9194 -28.1968 -33.0282 -28.9082 12.4335 71.2457 -31.3186 66.9969 31.1768 TIMING: 3548200 CPU: 11085.3, 0.00310719/step Wall: 11085.3, 0.00310719/step, 1.25306 hours remaining, 234.179688 MB of memory in use. ENERGY: 3548200 4049.5188 20395.8996 14429.5285 267.5426 -202982.1934 2407.9493 0.0000 0.0000 52144.4249 -109287.3296 299.6747 -161431.7546 -108930.0219 299.3610 -15.3826 8.2437 760360.6697 19.9924 19.8432 LDB: ============= START OF LOAD BALANCING ============== 11097.8 LDB: ============== END OF LOAD BALANCING =============== 11097.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11097.8 LDB: ============= START OF LOAD BALANCING ============== 11098.1 LDB: Largest compute 7041 load 0.029455 is 15.1% of average load 0.195273 LDB: Average compute 0.004363 is 2.2% of average load 0.195273 LDB: TIME 11098.1 LOAD: AVG 0.195273 MAX 0.212771 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.461 MB LDB: TIME 11098.1 LOAD: AVG 0.195273 MAX 0.212771 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.527 MB LDB: TIME 11098.1 LOAD: AVG 0.195273 MAX 0.212771 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.527 MB LDB: ============== END OF LOAD BALANCING =============== 11098.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11098.1 PRESSURE: 3548400 -419.692 27.684 121.653 27.6845 63.8296 -66.2636 121.652 -66.2633 174.756 GPRESSURE: 3548400 -299.457 75.8671 130.036 29.9403 39.5478 -77.2915 150.48 -176.949 151.874 PRESSAVG: 3548400 10.4041 -46.4164 -26.8203 -46.4164 -12.1742 -20.9203 -26.8202 -20.9202 11.8749 GPRESSAVG: 3548400 11.2537 -46.8043 -23.3057 -47.5978 -12.4051 -22.8714 -26.7175 -19.6025 11.4313 TIMING: 3548400 CPU: 11085.9, 0.00318361/step Wall: 11085.9, 0.00318361/step, 1.2837 hours remaining, 233.464844 MB of memory in use. ENERGY: 3548400 3959.4121 20585.1489 14446.4058 256.6373 -203053.5450 2572.0478 0.0000 0.0000 51833.1755 -109400.7176 297.8860 -161233.8932 -109039.7763 298.9693 -60.3690 -36.0116 762965.7861 3.3682 3.4266 PRESSURE: 3548600 -148.168 -187.742 0.0166186 -187.742 247.149 -12.4217 0.0169923 -12.4222 214.585 GPRESSURE: 3548600 -105.175 -194.523 -31.3578 -142.266 238.27 -4.30718 156.519 27.4562 261.1 PRESSAVG: 3548600 19.0501 -52.9808 -58.7776 -52.9808 -19.4536 7.59917 -58.7777 7.59928 10.9597 GPRESSAVG: 3548600 19.46 -55.1404 -60.9035 -52.0075 -19.5762 8.48306 -58.6018 6.09564 10.4867 TIMING: 3548600 CPU: 11086.6, 0.00311674/step Wall: 11086.6, 0.00311674/step, 1.25656 hours remaining, 233.667969 MB of memory in use. ENERGY: 3548600 3940.9781 20396.7241 14467.4640 258.9724 -203054.5411 2604.7242 0.0000 0.0000 51916.7862 -109468.8922 298.3665 -161385.6784 -109108.5107 299.0537 104.5217 131.3986 761599.2462 3.5187 3.4568 PRESSURE: 3548800 123.828 -54.5272 -97.1246 -54.5266 -200.72 -0.274146 -97.1245 -0.274821 -123.991 GPRESSURE: 3548800 129.406 -58.5326 -106.692 -84.454 -151.283 39.8706 96.9368 89.1121 -72.4971 PRESSAVG: 3548800 50.0154 -113.204 -4.35636 -113.204 -16.0119 11.8257 -4.35631 11.8257 34.3683 GPRESSAVG: 3548800 49.7665 -112.742 -4.72822 -115.001 -15.8729 11.5143 -4.29741 13.6179 34.3687 TIMING: 3548800 CPU: 11087.2, 0.00312592/step Wall: 11087.2, 0.00312592/step, 1.26009 hours remaining, 233.667969 MB of memory in use. ENERGY: 3548800 4033.9264 20435.4621 14447.4804 262.0551 -203397.9281 2849.1844 0.0000 0.0000 52028.2545 -109341.5651 299.0071 -161369.8196 -108994.5623 299.2123 -66.9610 -31.4581 760970.1922 22.7906 22.7541 PRESSURE: 3549000 -47.5267 122.237 -15.1379 122.237 238.638 -99.7962 -15.1383 -99.7967 50.2059 GPRESSURE: 3549000 58.3969 90.0875 26.9377 45.4553 268.481 -104.347 38.407 -184.209 8.25936 PRESSAVG: 3549000 -7.12378 -17.2316 32.9193 -17.2317 43.6353 93.3495 32.9194 93.3495 -4.53235 GPRESSAVG: 3549000 -7.88105 -18.3348 33.423 -16.8662 43.6719 95.5444 33.4092 90.4771 -3.67107 TIMING: 3549000 CPU: 11087.8, 0.00309784/step Wall: 11087.8, 0.00309784/step, 1.2486 hours remaining, 233.667969 MB of memory in use. ENERGY: 3549000 3943.2771 20528.5500 14533.4746 251.8228 -203477.1245 2528.2410 0.0000 0.0000 52244.5831 -109447.1759 300.2503 -161691.7590 -109074.3488 299.6460 80.4392 111.7124 760296.2067 10.6597 10.7066 PRESSURE: 3549200 220.756 36.8213 -165.044 36.8226 245.119 22.5483 -165.044 22.5491 -265.179 GPRESSURE: 3549200 137.19 -15.7228 -30.8422 -6.83087 296.764 -51.9848 -182.32 80.6276 -157.339 PRESSAVG: 3549200 -12.9302 -19.7073 -0.485753 -19.7073 -32.7383 38.1361 -0.485777 38.136 6.75264 GPRESSAVG: 3549200 -11.9856 -20.0641 0.665595 -18.4217 -33.0692 35.6222 -3.01076 40.3874 6.30389 TIMING: 3549200 CPU: 11088.4, 0.00310971/step Wall: 11088.4, 0.00310971/step, 1.25321 hours remaining, 233.667969 MB of memory in use. ENERGY: 3549200 3989.1441 20373.0895 14499.1697 257.6387 -203453.6087 2922.4651 0.0000 0.0000 52070.5797 -109341.5220 299.2503 -161412.1017 -108969.6695 299.5413 66.8986 92.2051 762457.1842 -12.9719 -12.9170 PRESSURE: 3549400 58.4547 -35.911 55.9513 -35.9114 -387.281 26.6904 55.951 26.6907 179.162 GPRESSURE: 3549400 60.0875 4.70881 44.1944 -27.4499 -287.866 93.881 24.614 36.8574 136.898 PRESSAVG: 3549400 71.9723 -5.17893 27.8445 -5.17893 -59.1469 -34.2817 27.8445 -34.2816 6.66037 GPRESSAVG: 3549400 72.2271 -3.27233 28.1157 -5.49969 -59.916 -33.744 28.9564 -34.2336 6.86751 TIMING: 3549400 CPU: 11089, 0.0031031/step Wall: 11089, 0.0031031/step, 1.25038 hours remaining, 233.667969 MB of memory in use. ENERGY: 3549400 3997.5364 20529.6866 14429.4129 247.2194 -203272.9190 2823.3189 0.0000 0.0000 52000.9555 -109244.7893 298.8502 -161245.7448 -108884.4983 299.1728 -49.8883 -30.2934 762593.8002 6.4952 6.3929 PRESSURE: 3549600 60.5966 -106.14 170.684 -106.14 -128.391 114.451 170.685 114.45 -85.741 GPRESSURE: 3549600 87.121 -40.5654 184.787 -105.249 -105.033 170.656 93.2802 14.6102 -48.2293 PRESSAVG: 3549600 33.7785 -13.5115 33.1886 -13.5115 -20.0355 -3.39768 33.1886 -3.39762 3.68395 GPRESSAVG: 3549600 33.3542 -13.5945 32.8779 -12.6402 -18.426 -3.07887 31.6005 -5.38261 2.45546 TIMING: 3549600 CPU: 11089.7, 0.00311094/step Wall: 11089.7, 0.00311094/step, 1.25336 hours remaining, 233.667969 MB of memory in use. ENERGY: 3549600 3987.6126 20514.4485 14410.9297 255.0160 -203431.4776 2607.0763 0.0000 0.0000 52028.0481 -109628.3464 299.0059 -161656.3945 -109266.7352 299.3533 -51.1784 -22.0470 761765.6200 5.8090 5.7945 PRESSURE: 3549800 191.264 7.23576 -96.3125 7.23538 189.239 -49.4146 -96.3123 -49.4137 314.012 GPRESSURE: 3549800 170.538 -18.1383 -193.917 14.0049 233.732 -96.9567 -88.6917 31.536 403.528 PRESSAVG: 3549800 17.3066 -40.4368 12.032 -40.4367 4.76998 2.37461 12.0319 2.37463 -6.88414 GPRESSAVG: 3549800 17.2982 -41.2943 11.2654 -39.5516 3.52518 2.41615 12.5826 4.08801 -5.95896 TIMING: 3549800 CPU: 11090.3, 0.00309399/step Wall: 11090.3, 0.00309399/step, 1.24636 hours remaining, 233.667969 MB of memory in use. ENERGY: 3549800 4010.9405 20391.4382 14416.9634 256.0370 -203601.9419 2835.9880 0.0000 0.0000 51964.7430 -109725.8318 298.6421 -161690.5748 -109364.1678 299.0197 231.5051 269.2659 759834.8338 5.0642 4.9548 PRESSURE: 3550000 36.928 72.1761 0.995116 72.1762 71.1921 -67.0925 0.995203 -67.092 136.195 GPRESSURE: 3550000 77.945 67.676 15.7725 71.5213 91.561 -127.332 -8.50661 114.173 122.915 PRESSAVG: 3550000 -18.7676 -25.47 -5.55184 -25.47 10.0557 -6.37416 -5.55185 -6.37405 -4.74701 GPRESSAVG: 3550000 -20.357 -23.9091 -5.49568 -28.5738 10.3391 -7.49811 -4.31499 -5.4258 -3.58019 TIMING: 3550000 CPU: 11090.9, 0.00312172/step Wall: 11090.9, 0.00312172/step, 1.25736 hours remaining, 233.667969 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: 3550000 3942.8128 20518.8775 14388.6327 250.4543 -203384.9480 2680.6421 0.0000 0.0000 51903.9848 -109699.5438 298.2929 -161603.5287 -109346.0889 298.7527 81.4385 97.4737 761075.0031 -4.4863 -4.5327 PRESSURE: 3550200 -46.3713 -136.21 -123.368 -136.211 -205.942 -193.308 -123.369 -193.308 296.983 GPRESSURE: 3550200 45.3268 -156.6 -62.6708 -42.2571 -218.968 -191.07 -120.697 -239.604 283.776 PRESSAVG: 3550200 15.7827 -25.7268 -36.1304 -25.7268 -45.0085 -15.6958 -36.1304 -15.6958 7.51847 GPRESSAVG: 3550200 17.6503 -28.1182 -36.6483 -25.6036 -45.6809 -15.1916 -36.5066 -15.6989 6.10703 TIMING: 3550200 CPU: 11091.5, 0.0031282/step Wall: 11091.5, 0.0031282/step, 1.25979 hours remaining, 233.667969 MB of memory in use. ENERGY: 3550200 4012.9370 20430.7206 14392.2715 249.7243 -203561.6364 2814.6548 0.0000 0.0000 51990.3065 -109671.0216 298.7890 -161661.3281 -109306.8555 298.5406 14.8902 36.7113 762445.8438 -7.2358 -7.3079 PRESSURE: 3550400 174.503 -49.6158 8.02889 -49.6155 245.204 230.844 8.02938 230.842 -68.4046 GPRESSURE: 3550400 257.368 -24.9512 -52.5254 -73.5395 250.568 169.574 -0.619033 292.951 -60.7011 PRESSAVG: 3550400 26.669 -64.4604 18.2289 -64.4604 -2.93584 16.0311 18.2289 16.0311 -18.0955 GPRESSAVG: 3550400 27.4922 -64.8398 21.1683 -61.5401 -2.13956 13.4984 17.1737 17.448 -19.2689 TIMING: 3550400 CPU: 11092.2, 0.00312456/step Wall: 11092.2, 0.00312456/step, 1.25816 hours remaining, 233.667969 MB of memory in use. ENERGY: 3550400 3910.2363 20567.0696 14445.4253 233.5269 -203498.3867 2764.2188 0.0000 0.0000 51971.1083 -109606.8016 298.6787 -161577.9098 -109258.5157 298.4886 117.1009 149.0784 759443.8483 1.8792 2.0279 PRESSURE: 3550600 -276.907 -33.7174 -288.918 -33.7172 -6.21619 -46.5745 -288.919 -46.5732 61.3039 GPRESSURE: 3550600 -166.147 -69.9623 -262.283 43.3634 -34.8882 15.3539 -203.47 -135.752 89.4227 PRESSAVG: 3550600 -12.2693 -43.9662 -49.4595 -43.9662 21.0903 34.5232 -49.4595 34.5232 20.0652 GPRESSAVG: 3550600 -12.426 -42.9362 -50.3797 -44.8013 21.3404 36.7604 -48.8896 32.4425 20.3662 TIMING: 3550600 CPU: 11092.8, 0.00312125/step Wall: 11092.8, 0.00312125/step, 1.25665 hours remaining, 233.667969 MB of memory in use. ENERGY: 3550600 3968.8248 20438.0675 14462.2951 248.8005 -203375.2859 2712.7960 0.0000 0.0000 52071.3039 -109473.1980 299.2545 -161544.5019 -109123.3881 298.8840 -73.9396 -37.2041 761108.6784 9.6287 9.7602 PRESSURE: 3550800 -68.2585 40.4416 -86.3363 40.4411 -36.1483 -364.332 -86.3356 -364.332 -13.639 GPRESSURE: 3550800 -25.1772 57.95 -51.7849 81.9063 -59.2012 -315.31 -165.808 -298.669 48.3529 PRESSAVG: 3550800 -23.1314 -20.9516 6.89016 -20.9516 14.0659 27.7754 6.89013 27.7754 22.4001 GPRESSAVG: 3550800 -23.1681 -21.648 6.48973 -18.6361 13.3707 27.6419 6.6521 26.8422 21.8114 TIMING: 3550800 CPU: 11093.4, 0.00312581/step Wall: 11093.4, 0.00312581/step, 1.25831 hours remaining, 233.667969 MB of memory in use. ENERGY: 3550800 4019.4810 20362.9765 14347.1853 251.4736 -203091.4567 2713.8107 0.0000 0.0000 51956.2298 -109440.2999 298.5932 -161396.5297 -109084.4956 299.3935 -39.3486 -12.0085 762373.6146 4.4448 4.0047 PRESSURE: 3551000 -146.316 161.327 131.372 161.326 -275.754 127.852 131.373 127.853 -186.314 GPRESSURE: 3551000 -98.9754 199.913 117.499 156.457 -194.773 44.5251 102.594 154.049 -209.713 PRESSAVG: 3551000 -35.0404 -23.9931 47.2884 -23.9931 58.1362 -56.563 47.2884 -56.563 3.65096 GPRESSAVG: 3551000 -35.3495 -22.8814 46.1358 -27.702 58.4874 -55.8955 46.9345 -55.7532 3.91034 TIMING: 3551000 CPU: 11094, 0.00311018/step Wall: 11094, 0.00311018/step, 1.25185 hours remaining, 233.667969 MB of memory in use. ENERGY: 3551000 4045.8458 20580.0718 14392.4571 247.1864 -203186.7872 2518.9881 0.0000 0.0000 52284.7666 -109117.4714 300.4813 -161402.2381 -108757.5792 299.4536 -202.7947 -167.8204 762513.5429 8.9156 9.0161 PRESSURE: 3551200 -190.815 -42.6694 -195.089 -42.6699 -71.0114 300.551 -195.089 300.551 53.3435 GPRESSURE: 3551200 -128.394 -50.0731 -198.212 55.0271 -61.494 249.715 -81.0193 277.64 58.1143 PRESSAVG: 3551200 -22.6353 -36.0595 20.4782 -36.0595 20.477 46.708 20.4783 46.708 3.08278 GPRESSAVG: 3551200 -23.07 -36.6246 21.365 -34.7983 20.6771 46.1801 20.7258 46.3313 3.13129 TIMING: 3551200 CPU: 11094.7, 0.00311172/step Wall: 11094.7, 0.00311172/step, 1.25229 hours remaining, 233.667969 MB of memory in use. ENERGY: 3551200 4042.9374 20535.0956 14370.6589 267.5100 -203061.0295 2658.3532 0.0000 0.0000 51845.0353 -109341.4390 297.9541 -161186.4744 -108981.2914 299.2143 -69.4942 -43.9244 762007.5491 0.3082 0.2461 PRESSURE: 3551400 164.308 68.5491 148.477 68.549 -31.6837 -297.31 148.477 -297.309 199.523 GPRESSURE: 3551400 265.506 -1.95534 202.872 43.9123 -3.6973 -284.8 91.677 -275.46 168.31 PRESSAVG: 3551400 -32.2323 -43.7418 15.4512 -43.7418 65.7401 16.6408 15.4512 16.6408 19.307 GPRESSAVG: 3551400 -32.4719 -43.6557 14.8207 -43.1671 65.5567 16.8791 15.5027 18.0477 20.023 TIMING: 3551400 CPU: 11095.3, 0.00310518/step Wall: 11095.3, 0.00310518/step, 1.24949 hours remaining, 233.667969 MB of memory in use. ENERGY: 3551400 4008.4681 20654.2929 14387.9356 238.7429 -203647.0479 3140.3435 0.0000 0.0000 52134.4870 -109082.7779 299.6176 -161217.2649 -108727.0224 299.6219 110.7160 143.3732 763445.8885 17.6049 17.7026 PRESSURE: 3551600 165.7 -94.6751 135.916 -94.6737 243.851 186.308 135.916 186.309 89.3029 GPRESSURE: 3551600 226.098 79.3522 207.058 -18.8882 158.762 244.436 12.4554 113.259 212.844 PRESSAVG: 3551600 26.1082 -49.5343 85.5032 -49.5342 -18.1199 -13.2234 85.5032 -13.2234 4.14589 GPRESSAVG: 3551600 26.7247 -50.7842 85.9345 -50.4695 -19.0831 -14.2151 84.0106 -13.0832 3.87108 TIMING: 3551600 CPU: 11095.9, 0.00313284/step Wall: 11095.9, 0.00313284/step, 1.26045 hours remaining, 233.667969 MB of memory in use. ENERGY: 3551600 3949.6558 20526.9296 14351.3550 263.1371 -203362.0108 2857.4663 0.0000 0.0000 52275.7970 -109137.6700 300.4297 -161413.4670 -108782.5516 300.0515 166.2848 199.2348 761338.7219 4.0447 3.8376 PRESSURE: 3551800 -298.619 -215.009 -154.21 -215.009 -431.715 -75.2554 -154.21 -75.2552 -445.46 GPRESSURE: 3551800 -247.909 -242.151 -209.842 -213.541 -408.042 -14.4494 -103.171 -210.713 -428.275 PRESSAVG: 3551800 -46.118 -20.9021 37.4503 -20.9021 78.6311 40.169 37.4503 40.169 2.91566 GPRESSAVG: 3551800 -45.3571 -19.6394 37.8991 -22.2835 79.0281 41.0444 39.0495 38.6032 1.48487 TIMING: 3551800 CPU: 11096.5, 0.00310193/step Wall: 11096.5, 0.00310193/step, 1.24784 hours remaining, 233.667969 MB of memory in use. ENERGY: 3551800 4029.5039 20565.8830 14399.8441 254.3552 -202613.7447 2231.0783 0.0000 0.0000 52019.7464 -109113.3339 298.9582 -161133.0803 -108748.1377 299.6120 -391.9313 -361.4083 763410.6916 11.8096 11.7186 PRESSURE: 3552000 -236.223 -95.1457 -41.9188 -95.1452 28.2682 -93.9916 -41.9182 -93.9918 -183.06 GPRESSURE: 3552000 -230.219 -51.2979 -168.025 -51.9339 105.696 9.02915 -47.877 -165.407 -177.347 PRESSAVG: 3552000 -7.09928 -84.8627 19.8283 -84.8626 49.1557 -85.1344 19.8283 -85.1345 3.61704 GPRESSAVG: 3552000 -9.39429 -85.018 17.8997 -82.4739 49.6936 -84.9571 21.1955 -84.2547 4.83846 TIMING: 3552000 CPU: 11097.1, 0.00310941/step Wall: 11097.1, 0.00310941/step, 1.25067 hours remaining, 233.667969 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: 3552000 4042.9947 20356.6215 14396.6139 245.3326 -202575.8841 2337.2279 0.0000 0.0000 52272.7346 -108924.3589 300.4121 -161197.0935 -108559.8884 299.8455 -130.3382 -100.6234 763334.5601 15.2245 15.0459 PRESSURE: 3552200 243.908 -164.91 240.46 -164.91 -240.509 5.67513 240.46 5.67556 -166.305 GPRESSURE: 3552200 169.366 -114.091 237.695 -175.682 -134.634 42.5704 206.955 -55.3472 -152.088 PRESSAVG: 3552200 -56.2977 -16.6093 37.3433 -16.6093 59.4908 30.6106 37.3433 30.6105 -12.1651 GPRESSAVG: 3552200 -55.1812 -17.3603 37.2926 -16.722 58.9976 29.4248 37.3402 30.9129 -13.197 TIMING: 3552200 CPU: 11097.8, 0.00312161/step Wall: 11097.8, 0.00312161/step, 1.25541 hours remaining, 233.667969 MB of memory in use. ENERGY: 3552200 3969.2906 20499.4318 14378.1213 254.1600 -202783.8522 2468.2136 0.0000 0.0000 52207.3419 -109007.2931 300.0363 -161214.6350 -108645.5789 299.6143 -54.3020 -39.1188 761810.5357 -2.9907 -3.1269 LDB: ============= START OF LOAD BALANCING ============== 11110.2 LDB: ============== END OF LOAD BALANCING =============== 11110.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11110.2 LDB: ============= START OF LOAD BALANCING ============== 11110.6 LDB: Largest compute 7041 load 0.029600 is 15.2% of average load 0.195310 LDB: Average compute 0.004377 is 2.2% of average load 0.195310 LDB: TIME 11110.6 LOAD: AVG 0.19531 MAX 0.216176 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.52 MB LDB: TIME 11110.6 LOAD: AVG 0.19531 MAX 0.216176 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.52 MB LDB: TIME 11110.6 LOAD: AVG 0.19531 MAX 0.216176 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.52 MB LDB: ============== END OF LOAD BALANCING =============== 11110.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11110.6 PRESSURE: 3552400 -222.432 -113.786 -56.9682 -113.785 -429.698 -29.1689 -56.9676 -29.1692 87.6411 GPRESSURE: 3552400 -162.89 -256.153 42.5143 -89.2543 -327.798 -99.7175 -74.078 76.7213 25.1535 PRESSAVG: 3552400 -34.6697 -34.8551 3.05962 -34.8551 1.0887 -51.121 3.05963 -51.121 22.9012 GPRESSAVG: 3552400 -34.2793 -36.7057 4.61987 -33.0642 2.25817 -52.0602 1.04906 -50.5353 21.0537 TIMING: 3552400 CPU: 11098.4, 0.00317657/step Wall: 11098.4, 0.00317657/step, 1.27734 hours remaining, 234.164062 MB of memory in use. ENERGY: 3552400 3982.7211 20493.7448 14438.7009 245.4121 -202932.6829 2542.7934 0.0000 0.0000 52340.9509 -108888.3596 300.8042 -161229.3104 -108519.5056 299.5536 -188.1632 -155.1782 763983.4281 -3.5599 -3.6558 PRESSURE: 3552600 355.468 8.12672 179.897 8.12599 -150.293 -0.979714 179.896 -0.980822 426.187 GPRESSURE: 3552600 287.822 -102.689 224.707 -22.232 -17.3183 49.8577 114.469 22.1583 450.673 PRESSAVG: 3552600 -10.8352 8.84391 -18.9595 8.84386 12.3589 -25.6041 -18.9595 -25.6042 -4.54377 GPRESSAVG: 3552600 -11.6035 12.3108 -18.5454 5.31477 11.2435 -23.5235 -18.5282 -26.8478 -2.45245 TIMING: 3552600 CPU: 11099, 0.00309954/step Wall: 11099, 0.00309954/step, 1.24619 hours remaining, 234.367188 MB of memory in use. ENERGY: 3552600 3933.4125 20495.5095 14427.1830 251.1169 -203091.9466 2760.0174 0.0000 0.0000 52211.3846 -109013.3227 300.0595 -161224.7073 -108642.0215 299.6899 210.4540 240.3923 761915.2595 -1.0067 -0.9375 PRESSURE: 3552800 -162.728 -183.439 2.90663 -183.439 -128.154 89.1199 2.90621 89.1197 -167.015 GPRESSURE: 3552800 -51.4115 -158.385 25.4579 -153.795 -120.32 52.1376 91.0583 12.3447 -189.505 PRESSAVG: 3552800 -11.9737 -57.7384 44.1679 -57.7384 42.3449 -21.4547 44.1679 -21.4547 -19.4409 GPRESSAVG: 3552800 -11.9709 -60.5404 43.967 -56.9722 43.9014 -22.7045 43.3699 -19.0682 -20.6525 TIMING: 3552800 CPU: 11099.6, 0.00310156/step Wall: 11099.6, 0.00310156/step, 1.24683 hours remaining, 234.367188 MB of memory in use. ENERGY: 3552800 4007.0755 20533.3318 14375.1696 244.7827 -202753.6457 2553.8095 0.0000 0.0000 51921.1869 -109118.2898 298.3918 -161039.4767 -108757.3318 299.5885 -152.6322 -120.4123 764127.8869 3.6434 3.7593 PRESSURE: 3553000 -264.538 7.73924 -157.412 7.73951 -276.61 79.3895 -157.412 79.3887 10.4467 GPRESSURE: 3553000 -197.74 15.5667 -76.6403 71.9439 -241.397 131.548 -54.7968 -52.0078 -0.725071 PRESSAVG: 3553000 -51.6779 -21.7972 63.2514 -21.7972 57.6542 13.8528 63.2514 13.8527 -3.24408 GPRESSAVG: 3553000 -52.0335 -19.6084 62.6583 -22.1735 57.0526 15.7276 64.625 10.1074 -2.2025 TIMING: 3553000 CPU: 11100.3, 0.00310291/step Wall: 11100.3, 0.00310291/step, 1.2472 hours remaining, 234.367188 MB of memory in use. ENERGY: 3553000 3985.0313 20378.9782 14334.0035 243.3448 -202813.3967 2404.5836 0.0000 0.0000 52459.4471 -109008.0081 301.4852 -161467.4552 -108640.0987 299.3981 -176.9004 -146.6209 762725.9256 0.9108 0.9389 PRESSURE: 3553200 107.554 -265.492 60.6198 -265.493 186.84 -251.777 60.6201 -251.777 58.6022 GPRESSURE: 3553200 187.926 -255.648 124.184 -249.038 110.804 -237.385 -105.088 -300.659 139.879 PRESSAVG: 3553200 -44.3749 -41.7259 -18.6797 -41.7259 13.5578 9.78072 -18.6797 9.78081 3.11909 GPRESSAVG: 3553200 -44.1295 -41.536 -17.1878 -41.5136 13.5804 8.62875 -19.6246 9.50384 2.34938 TIMING: 3553200 CPU: 11100.9, 0.00310171/step Wall: 11100.9, 0.00310171/step, 1.24654 hours remaining, 234.367188 MB of memory in use. ENERGY: 3553200 4002.1667 20594.5820 14313.9576 251.5884 -203234.3866 2534.6910 0.0000 0.0000 52306.7053 -109230.6956 300.6074 -161537.4009 -108869.8507 299.1899 117.6654 146.2031 763107.1767 -9.2327 -9.3999 PRESSURE: 3553400 -179.736 -15.3975 128.715 -15.3974 322.694 87.5338 128.715 87.5345 76.0814 GPRESSURE: 3553400 -28.2416 109.982 172.953 90.311 281.216 43.2184 2.80653 62.6494 45.7552 PRESSAVG: 3553400 -69.6115 -0.448962 -2.68708 -0.44899 25.7556 -7.66004 -2.68713 -7.6601 -8.93325 GPRESSAVG: 3553400 -69.9982 -0.41665 -6.15927 0.00843741 26.0759 -8.56535 0.485217 -4.25049 -8.33855 TIMING: 3553400 CPU: 11101.5, 0.00310057/step Wall: 11101.5, 0.00310057/step, 1.24591 hours remaining, 234.367188 MB of memory in use. ENERGY: 3553400 4020.7935 20230.3561 14364.7527 234.3883 -203403.1695 2976.1742 0.0000 0.0000 52095.4034 -109481.3013 299.3930 -161576.7047 -109113.5187 298.7547 73.0132 99.5766 761075.1877 -17.5964 -17.4203 PRESSURE: 3553600 -309.221 -6.91981 62.2728 -6.92017 -145.442 -16.4547 62.2727 -16.4555 -226.261 GPRESSURE: 3553600 -290.144 -26.0423 43.7322 54.8966 -143.887 -0.0526841 -24.202 -12.3188 -186.292 PRESSAVG: 3553600 2.17929 -13.985 36.084 -13.985 32.5249 14.1032 36.084 14.1032 -0.384265 GPRESSAVG: 3553600 2.96841 -13.742 38.6302 -15.4028 33.2178 14.0712 33.0332 11.2625 -1.78677 TIMING: 3553600 CPU: 11102.1, 0.00309239/step Wall: 11102.1, 0.00309239/step, 1.24245 hours remaining, 234.367188 MB of memory in use. ENERGY: 3553600 3946.5029 20582.3458 14445.3489 254.9738 -203389.7272 2687.4509 0.0000 0.0000 52007.9015 -109465.2035 298.8901 -161473.1050 -109100.8526 298.8034 -226.9745 -206.7746 763017.1873 11.4400 11.4665 PRESSURE: 3553800 -105.055 -166.41 -91.2448 -166.411 -192.846 67.0296 -91.2439 67.0314 110.026 GPRESSURE: 3553800 -44.8575 -87.9507 -117.769 -42.303 -178.904 31.497 -52.6546 -119.394 120.338 PRESSAVG: 3553800 29.8157 -19.5506 0.483548 -19.5507 -33.644 -0.477281 0.48356 -0.477301 12.8944 GPRESSAVG: 3553800 29.7634 -19.2644 -1.14271 -18.2598 -34.8141 -0.512201 4.309 0.942997 14.1324 TIMING: 3553800 CPU: 11102.7, 0.00310421/step Wall: 11102.7, 0.00310421/step, 1.24703 hours remaining, 234.367188 MB of memory in use. ENERGY: 3553800 3903.2949 20494.6790 14428.1993 256.9442 -202818.7779 2330.6607 0.0000 0.0000 52099.0809 -109305.9189 299.4141 -161404.9999 -108947.2173 299.0181 -62.6251 -34.4745 762287.6649 3.0220 3.0272 PRESSURE: 3554000 104.568 102.797 -90.1644 102.797 200.734 89.4516 -90.1642 89.4513 -313.857 GPRESSURE: 3554000 67.9943 -9.23179 -59.3214 1.132 245.866 177.314 -110.86 -33.0714 -243.184 PRESSAVG: 3554000 -33.918 -54.9726 31.5808 -54.9726 24.1123 21.7701 31.5807 21.7701 -4.95988 GPRESSAVG: 3554000 -35.0497 -55.8075 33.5889 -54.3118 24.9337 24.5551 27.8945 20.7439 -4.41368 TIMING: 3554000 CPU: 11103.4, 0.00310282/step Wall: 11103.4, 0.00310282/step, 1.2463 hours remaining, 234.367188 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: 3554000 3928.4078 20584.4046 14441.7251 249.7044 -203114.9021 2415.6043 0.0000 0.0000 52129.7631 -109365.2928 299.5905 -161495.0559 -109000.2052 298.9818 -2.8520 23.5589 762500.3082 -4.9219 -4.8432 PRESSURE: 3554200 111.933 26.2354 -47.1099 26.2349 122.055 146.82 -47.1092 146.821 -102.779 GPRESSURE: 3554200 145.618 -78.5311 -35.6612 -54.0635 179.033 122.601 43.1088 144.625 -122.354 PRESSAVG: 3554200 44.6969 -13.9728 33.3071 -13.9727 -5.02556 -35.0017 33.3071 -35.0017 5.41685 GPRESSAVG: 3554200 45.4766 -13.9212 33.6664 -15.3923 -5.34816 -37.6929 32.6509 -33.9439 4.76786 TIMING: 3554200 CPU: 11104, 0.00310389/step Wall: 11104, 0.00310389/step, 1.24656 hours remaining, 234.367188 MB of memory in use. ENERGY: 3554200 4045.3831 20632.9829 14411.2115 237.4864 -203593.1735 2737.6741 0.0000 0.0000 52245.2755 -109283.1599 300.2543 -161528.4354 -108926.0266 299.2792 43.7363 67.4322 761795.0245 15.0294 14.9654 PRESSURE: 3554400 -383.187 -97.4943 -4.31606 -97.4945 -200.198 -131.294 -4.31563 -131.294 -270.256 GPRESSURE: 3554400 -317.477 -5.09359 -42.2726 -78.0566 -160.529 -49.2372 189.76 -277.468 -300.491 PRESSAVG: 3554400 -5.5393 -50.36 22.1658 -50.36 -39.3316 -25.0027 22.1658 -25.0028 -17.2522 GPRESSAVG: 3554400 -6.04932 -50.7568 21.2696 -48.3373 -37.9538 -24.4966 24.923 -25.256 -18.712 TIMING: 3554400 CPU: 11104.6, 0.00309856/step Wall: 11104.6, 0.00309856/step, 1.24424 hours remaining, 234.367188 MB of memory in use. ENERGY: 3554400 4070.9966 20425.9806 14435.4323 251.2983 -203337.5471 2549.5601 0.0000 0.0000 52125.1521 -109479.1270 299.5640 -161604.2791 -109124.4489 299.3778 -284.5470 -259.4986 761731.7270 -20.7077 -20.9050 PRESSURE: 3554600 -157.902 -166.276 109.276 -166.276 -34.1946 30.0823 109.276 30.0835 -26.1497 GPRESSURE: 3554600 -120.657 -192.257 148.995 24.749 -56.5402 -10.5666 187.201 91.4953 57.5829 PRESSAVG: 3554600 -18.1699 -79.2409 67.1951 -79.2409 26.8839 -6.92455 67.1952 -6.92456 10.2718 GPRESSAVG: 3554600 -17.4394 -79.2227 68.369 -80.7525 26.3019 -7.28675 65.0552 -7.25735 10.3736 TIMING: 3554600 CPU: 11105.2, 0.00311273/step Wall: 11105.2, 0.00311273/step, 1.24976 hours remaining, 234.367188 MB of memory in use. ENERGY: 3554600 4011.2017 20426.2947 14393.9710 235.3753 -203367.8029 2848.4430 0.0000 0.0000 52083.2321 -109369.2851 299.3231 -161452.5171 -109018.1722 298.9165 -72.7487 -39.8714 761534.7613 6.3286 6.4120 PRESSURE: 3554800 -13.1111 -163.672 307.599 -163.673 72.3703 258.109 307.598 258.108 1.23487 GPRESSURE: 3554800 73.4464 -128.561 313.356 -84.3583 73.4176 239.894 262.064 249.475 15.1621 PRESSAVG: 3554800 8.97942 -67.6103 125.359 -67.6103 9.47338 2.08373 125.359 2.08382 15.8413 GPRESSAVG: 3554800 8.44182 -66.3342 124.187 -67.8726 9.70711 2.80801 126.865 2.59381 16.3549 TIMING: 3554800 CPU: 11105.9, 0.00312044/step Wall: 11105.9, 0.00312044/step, 1.25268 hours remaining, 234.367188 MB of memory in use. ENERGY: 3554800 4035.8626 20561.6275 14461.6592 253.7537 -203735.3454 2852.7084 0.0000 0.0000 52139.6766 -109430.0575 299.6474 -161569.7341 -109070.9189 299.3733 20.1647 54.0087 760179.1718 11.4314 11.5013 PRESSURE: 3555000 -325.091 -4.11555 77.4201 -4.1158 60.9933 -160.987 77.4202 -160.987 173.272 GPRESSURE: 3555000 -220.946 27.3371 134.848 3.77151 37.9532 -38.4583 111.023 -45.4924 164.229 PRESSAVG: 3555000 4.8753 -22.2858 71.9465 -22.2857 -19.4163 -6.38799 71.9465 -6.38796 3.72295 GPRESSAVG: 3555000 5.68704 -23.759 72.4874 -21.3655 -19.1722 -7.01614 72.3633 -7.34379 3.31761 TIMING: 3555000 CPU: 11106.5, 0.00314516/step Wall: 11106.5, 0.00314516/step, 1.26243 hours remaining, 234.367188 MB of memory in use. ENERGY: 3555000 3912.1085 20299.1015 14396.3166 245.0756 -203202.6009 2499.5748 0.0000 0.0000 52388.1157 -109462.3083 301.0752 -161850.4239 -109091.1820 299.6602 -30.2754 -6.2545 762562.1755 -3.6060 -3.3892 PRESSURE: 3555200 144.902 54.1719 1.37799 54.1719 218.799 42.8105 1.37898 42.8089 72.2071 GPRESSURE: 3555200 195.544 -36.1504 48.9343 5.8228 247.12 98.8331 -131.661 105.488 64.0125 PRESSAVG: 3555200 14.111 -22.6255 46.6144 -22.6255 -12.1284 -9.61569 46.6144 -9.61573 6.88492 GPRESSAVG: 3555200 14.1557 -23.5418 46.9075 -24.2557 -12.0337 -7.41402 47.5963 -6.71751 6.46511 TIMING: 3555200 CPU: 11107.1, 0.00311449/step Wall: 11107.1, 0.00311449/step, 1.24995 hours remaining, 234.367188 MB of memory in use. ENERGY: 3555200 4015.1586 20559.4900 14363.9904 240.3850 -203512.9499 2869.7330 0.0000 0.0000 52042.6381 -109421.5549 299.0898 -161464.1930 -109066.4175 299.1275 145.3025 168.8922 761994.6876 2.9558 2.8624 PRESSURE: 3555400 317.582 91.1315 -208.313 91.1319 200.07 -114.179 -208.313 -114.179 307.628 GPRESSURE: 3555400 323.367 -86.2573 -235.055 79.6137 264.511 -26.0913 -44.926 -257.994 319.639 PRESSAVG: 3555400 -18.3888 -66.8243 42.4652 -66.8242 26.9187 20.2383 42.4652 20.2383 19.5191 GPRESSAVG: 3555400 -20.3371 -66.6331 43.9614 -67.4771 27.1028 19.4104 39.7221 16.4559 21.0879 TIMING: 3555400 CPU: 11107.7, 0.00311297/step Wall: 11107.7, 0.00311297/step, 1.24917 hours remaining, 234.367188 MB of memory in use. ENERGY: 3555400 3875.3162 20434.2703 14384.7190 231.8135 -203185.3110 2669.7242 0.0000 0.0000 52332.1059 -109257.3619 300.7533 -161589.4678 -108885.0753 299.3991 275.0934 302.5058 761568.7838 9.3497 9.2845 PRESSURE: 3555600 144.56 6.85577 38.6431 6.85535 284.504 154.682 38.6424 154.682 174.893 GPRESSURE: 3555600 141.343 18.9421 21.7022 95.071 375.842 166.574 -19.5929 135.054 141.19 PRESSAVG: 3555600 -10.6575 -25.0077 9.14554 -25.0077 60.1229 2.46711 9.14547 2.46714 -35.5753 GPRESSAVG: 3555600 -10.1001 -24.8848 7.78443 -20.9967 60.1528 2.08392 10.5308 3.36994 -36.3391 TIMING: 3555600 CPU: 11108.4, 0.00312725/step Wall: 11108.4, 0.00312725/step, 1.25472 hours remaining, 234.367188 MB of memory in use. ENERGY: 3555600 4018.2346 20647.3916 14429.5233 233.6002 -203388.3022 2942.7962 0.0000 0.0000 52000.1521 -109116.6042 298.8456 -161116.7563 -108761.9493 299.4033 201.3193 219.4583 760981.5208 4.6301 4.5712 PRESSURE: 3555800 -1.01565 -204.508 209.952 -204.509 276.227 108.465 209.953 108.465 150.028 GPRESSURE: 3555800 -39.552 -173.52 101.76 -225.807 279.387 132.764 64.4519 96.5697 251.448 PRESSAVG: 3555800 -32.2809 -55.9892 11.9425 -55.9892 64.7988 78.2285 11.9425 78.2285 11.3282 GPRESSAVG: 3555800 -31.0968 -54.7781 11.8624 -56.9046 63.2213 77.7259 9.87455 78.2376 11.8626 TIMING: 3555800 CPU: 11109, 0.00311106/step Wall: 11109, 0.00311106/step, 1.24805 hours remaining, 234.367188 MB of memory in use. ENERGY: 3555800 3986.0630 20576.5856 14385.5750 247.0287 -203538.1353 3037.0386 0.0000 0.0000 52066.9378 -109238.9065 299.2294 -161305.8443 -108875.0276 299.9064 141.7464 163.7610 761739.0673 14.6154 14.6624 PRESSURE: 3556000 -106.354 -64.0712 31.7932 -64.0712 406.317 -52.0229 31.7928 -52.0222 176.273 GPRESSURE: 3556000 -15.8709 -72.1371 114.131 -80.7217 396.345 21.479 -93.8385 -32.65 182.104 PRESSAVG: 3556000 -21.6817 -46.8806 -15.528 -46.8806 41.133 5.28263 -15.528 5.2826 1.64655 GPRESSAVG: 3556000 -21.2306 -46.3641 -14.8921 -48.5102 41.6261 4.1558 -13.808 6.5237 0.88373 TIMING: 3556000 CPU: 11109.6, 0.00311721/step Wall: 11109.6, 0.00311721/step, 1.25035 hours remaining, 234.367188 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: 3556000 4015.4910 20673.3841 14357.2927 256.1732 -203155.6167 2766.7323 0.0000 0.0000 51860.9477 -109225.5957 298.0456 -161086.5435 -108867.1025 299.2829 158.7452 187.5258 763478.2398 7.0326 7.0931 PRESSURE: 3556200 229.519 -135.921 -5.37959 -135.921 300.607 -65.1681 -5.37845 -65.1675 502.802 GPRESSURE: 3556200 233.85 -151.549 51.9345 -152.367 305.549 -71.9575 -119.542 45.0674 559.524 PRESSAVG: 3556200 19.4675 -19.182 -6.18447 -19.182 11.2075 11.8998 -6.18445 11.8999 7.55655 GPRESSAVG: 3556200 17.4991 -20.3921 -5.73057 -16.8262 12.2998 14.0441 -7.8321 10.7705 8.8633 TIMING: 3556200 CPU: 11110.2, 0.00311095/step Wall: 11110.2, 0.00311095/step, 1.24766 hours remaining, 234.367188 MB of memory in use. ENERGY: 3556200 3927.5907 20560.5401 14326.8765 233.2296 -203059.9219 2784.2154 0.0000 0.0000 51867.7053 -109359.7643 298.0844 -161227.4696 -109005.8855 299.0801 344.3093 366.3076 765537.4700 12.7439 12.8874 LDB: ============= START OF LOAD BALANCING ============== 11122.7 LDB: ============== END OF LOAD BALANCING =============== 11122.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11122.7 LDB: ============= START OF LOAD BALANCING ============== 11123 LDB: Largest compute 7070 load 0.029421 is 15.1% of average load 0.195285 LDB: Average compute 0.004372 is 2.2% of average load 0.195285 LDB: TIME 11123 LOAD: AVG 0.195285 MAX 0.214135 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.656 MB LDB: TIME 11123 LOAD: AVG 0.195285 MAX 0.214135 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.66 MB LDB: TIME 11123 LOAD: AVG 0.195285 MAX 0.214135 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.66 MB LDB: ============== END OF LOAD BALANCING =============== 11123 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11123 PRESSURE: 3556400 169.988 50.64 -139.741 50.6395 146.227 39.4289 -139.74 39.4293 -19.2403 GPRESSURE: 3556400 165.659 -14.924 -33.0054 142.147 194.711 -30.1317 -151.583 19.5641 35.539 PRESSAVG: 3556400 -22.0405 -79.5127 -24.9436 -79.5127 52.3986 14.2052 -24.9436 14.205 11.3031 GPRESSAVG: 3556400 -21.3381 -82.2869 -26.0829 -80.502 52.6843 13.4325 -23.2066 14.1402 10.2247 TIMING: 3556400 CPU: 11110.9, 0.00318533/step Wall: 11110.9, 0.00318533/step, 1.27732 hours remaining, 235.023438 MB of memory in use. ENERGY: 3556400 3985.6355 20416.4122 14426.9605 243.0121 -203419.5547 2869.3018 0.0000 0.0000 52234.4880 -109243.7445 300.1923 -161478.2325 -108875.3655 299.5110 98.9914 131.9699 763106.6323 13.8871 13.8570 PRESSURE: 3556600 -267.652 46.7555 -31.5342 46.7549 -407.207 242.591 -31.534 242.592 -100.197 GPRESSURE: 3556600 -311.353 138.347 23.2271 -16.9324 -306.969 226.606 -149.266 168.834 -75.7391 PRESSAVG: 3556600 6.17057 16.8825 -14.499 16.8824 -23.5714 42.4139 -14.499 42.4139 2.21729 GPRESSAVG: 3556600 5.54785 19.7966 -13.9751 16.5325 -23.9782 42.0477 -16.1583 44.3133 3.35094 TIMING: 3556600 CPU: 11111.5, 0.00311741/step Wall: 11111.5, 0.00311741/step, 1.24991 hours remaining, 235.226562 MB of memory in use. ENERGY: 3556600 3960.0412 20614.2557 14329.7248 237.7922 -203040.0957 2523.5541 0.0000 0.0000 52174.4682 -109200.2594 299.8474 -161374.7276 -108841.7505 299.8550 -258.3519 -231.3537 764566.2185 -5.0612 -5.0265 PRESSURE: 3556800 -238.529 102.099 -28.4524 102.099 -101.454 -93.4762 -28.4525 -93.4768 -53.9696 GPRESSURE: 3556800 -163.902 102.391 -129.234 108.867 -119.561 -118.059 70.862 -40.4264 -42.7032 PRESSAVG: 3556800 -1.71837 -55.8585 30.9651 -55.8585 12.8282 -37.0925 30.965 -37.0925 -28.1392 GPRESSAVG: 3556800 -0.654174 -56.1721 30.6923 -56.326 11.5959 -35.5908 32.0023 -39.2714 -27.6166 TIMING: 3556800 CPU: 11112.1, 0.00311235/step Wall: 11112.1, 0.00311235/step, 1.24771 hours remaining, 235.226562 MB of memory in use. ENERGY: 3556800 4007.9912 20543.0352 14400.1875 244.5564 -203321.8250 2839.6394 0.0000 0.0000 52174.9757 -109111.4395 299.8503 -161286.4152 -108746.6065 299.3393 -131.3176 -108.7220 763529.4182 -5.6765 -5.5583 PRESSURE: 3557000 226.031 -35.9161 88.4214 -35.9167 -243.944 232.37 88.4215 232.369 182.737 GPRESSURE: 3557000 233.312 -50.7423 115.224 -132.648 -112.294 293.038 67.4177 261.135 143.137 PRESSAVG: 3557000 -1.9543 -4.13695 -34.2596 -4.13694 3.56075 -14.0555 -34.2596 -14.0556 5.77407 GPRESSAVG: 3557000 -2.43275 -1.7309 -35.9794 -4.30498 4.75095 -14.3118 -34.5419 -12.8222 5.44295 TIMING: 3557000 CPU: 11112.7, 0.0031279/step Wall: 11112.7, 0.0031279/step, 1.25377 hours remaining, 235.226562 MB of memory in use. ENERGY: 3557000 3957.0206 20505.5068 14379.7463 236.9874 -202884.6128 2480.2520 0.0000 0.0000 51841.1527 -109483.9470 297.9318 -161325.0997 -109126.8201 299.4394 54.9412 88.0519 760699.5377 2.4602 2.5871 PRESSURE: 3557200 378.423 -167.935 -154.999 -167.935 194.341 -66.8251 -155 -66.8241 138.154 GPRESSURE: 3557200 348.542 -184.042 -45.2155 -76.5362 219.284 -51.8676 -152.032 -177.443 226.106 PRESSAVG: 3557200 -6.05295 -45.2937 -45.247 -45.2937 11.2269 36.6609 -45.247 36.6608 3.3223 GPRESSAVG: 3557200 -6.40471 -44.8637 -44.0906 -45.434 10.9801 35.8075 -43.4004 37.0364 3.4078 TIMING: 3557200 CPU: 11113.3, 0.00310568/step Wall: 11113.3, 0.00310568/step, 1.24469 hours remaining, 235.226562 MB of memory in use. ENERGY: 3557200 3995.8514 20338.8024 14393.6741 248.8343 -202874.8879 2545.2109 0.0000 0.0000 51969.6884 -109382.8266 298.6705 -161352.5150 -109016.4505 298.9846 236.9729 264.6437 762055.1603 2.8321 2.6611 PRESSURE: 3557400 -221.541 -21.6146 63.7425 -21.6149 68.4541 -122.556 63.7427 -122.555 207.293 GPRESSURE: 3557400 -58.9446 -107.193 91.4728 40.1448 4.71697 -132.531 99.1625 -16.2202 189.917 PRESSAVG: 3557400 42.0339 -15.5412 -39.7388 -15.5412 -20.7402 74.657 -39.7389 74.657 8.49774 GPRESSAVG: 3557400 42.8982 -18.1542 -39.8395 -13.1884 -21.4986 76.2021 -40.5854 71.9027 7.58051 TIMING: 3557400 CPU: 11114, 0.00311835/step Wall: 11114, 0.00311835/step, 1.24959 hours remaining, 235.226562 MB of memory in use. ENERGY: 3557400 3952.7341 20408.7041 14450.7358 248.1245 -203463.7570 2823.8520 0.0000 0.0000 52111.0107 -109468.5959 299.4827 -161579.6065 -109105.3616 298.9277 18.0687 45.2297 762558.0500 9.9305 9.6600 PRESSURE: 3557600 -165.705 39.4417 156.339 39.4429 -280.236 97.6871 156.339 97.6867 -515.396 GPRESSURE: 3557600 -181.284 72.1245 129.021 51.8929 -303.757 48.4165 3.71979 71.5402 -398.105 PRESSAVG: 3557600 8.91668 5.19565 -2.69756 5.19565 -2.75964 43.1927 -2.69757 43.1927 35.1638 GPRESSAVG: 3557600 8.27039 6.0985 -1.93428 3.55487 -3.38696 42.5108 -2.79139 43.1949 35.5398 TIMING: 3557600 CPU: 11114.6, 0.0031217/step Wall: 11114.6, 0.0031217/step, 1.25076 hours remaining, 235.226562 MB of memory in use. ENERGY: 3557600 3947.8916 20545.4144 14434.2206 257.6997 -203121.6476 2309.8496 0.0000 0.0000 52002.6863 -109623.8853 298.8602 -161626.5716 -109273.6893 299.3427 -320.4458 -294.3820 762960.4349 13.7736 13.4744 PRESSURE: 3557800 -42.8582 53.5077 -89.5834 53.5076 -494.816 -80.2667 -89.583 -80.2676 -89.2029 GPRESSURE: 3557800 0.164268 148.642 -67.0914 83.6735 -431.247 25.1092 -11.5793 -21.7188 -124.674 PRESSAVG: 3557800 -29.2468 -55.8899 -35.2906 -55.8899 62.3827 -5.99047 -35.2906 -5.9905 4.27305 GPRESSAVG: 3557800 -29.9549 -55.1677 -37.293 -57.2422 64.8225 -6.75642 -33.9568 -3.6174 2.40537 TIMING: 3557800 CPU: 11115.2, 0.00312362/step Wall: 11115.2, 0.00312362/step, 1.25136 hours remaining, 235.226562 MB of memory in use. ENERGY: 3557800 3975.1072 20407.0732 14463.9137 227.2268 -203278.8062 2588.3388 0.0000 0.0000 51920.9111 -109696.2355 298.3902 -161617.1465 -109332.1174 299.1825 -208.9592 -185.2523 761294.7782 12.4696 12.4243 PRESSURE: 3558000 -46.7748 113.303 -166.711 113.303 -273.589 0.463999 -166.71 0.464666 -480.776 GPRESSURE: 3558000 13.396 119.153 -205.901 85.8267 -292.429 8.51399 -116.177 22.4633 -440.322 PRESSAVG: 3558000 101.362 -44.3956 -54.2305 -44.3955 -106.651 -0.217036 -54.2305 -0.216991 28.3347 GPRESSAVG: 3558000 101.025 -43.3005 -53.2614 -44.4069 -107.864 -0.789564 -56.7588 -0.516779 29.5894 TIMING: 3558000 CPU: 11115.8, 0.00312321/step Wall: 11115.8, 0.00312321/step, 1.25102 hours remaining, 235.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3558000 4027.9737 20389.7105 14413.9077 248.8555 -203092.7773 2367.5992 0.0000 0.0000 51901.6562 -109743.0746 298.2795 -161644.7308 -109391.9709 298.6563 -267.0464 -239.7852 762472.8809 7.6822 7.5832 PRESSURE: 3558200 256.28 -34.5046 128.624 -34.505 -17.9355 115.905 128.623 115.905 5.1118 GPRESSURE: 3558200 267.05 -115.5 102.312 13.1544 83.0156 132.214 200.992 44.854 -16.8654 PRESSAVG: 3558200 19.0509 -52.8719 -5.81699 -52.8719 -28.011 -15.7201 -5.81695 -15.7201 0.645579 GPRESSAVG: 3558200 19.9262 -54.9375 -6.38498 -50.5008 -28.1599 -13.9512 -3.57783 -16.6997 0.0433225 TIMING: 3558200 CPU: 11116.5, 0.00311837/step Wall: 11116.5, 0.00311837/step, 1.24891 hours remaining, 235.484375 MB of memory in use. ENERGY: 3558200 3970.7924 20387.8047 14393.4964 257.0081 -204035.8927 3022.2540 0.0000 0.0000 52116.5499 -109887.9873 299.5145 -162004.5372 -109531.0050 298.5940 81.1520 111.0667 760924.0455 -2.7715 -2.7301 PRESSURE: 3558400 -247.411 -100.792 112.486 -100.792 -73.6179 45.808 112.485 45.8082 90.0737 GPRESSURE: 3558400 -203.157 -142.746 124.242 -141.113 -76.4928 -12.5374 61.5336 -64.6311 116.969 PRESSAVG: 3558400 14.9363 -53.8309 -38.0963 -53.8309 26.9002 -11.8282 -38.0964 -11.8282 -11.8369 GPRESSAVG: 3558400 15.1719 -55.21 -36.6399 -54.1839 26.7666 -12.1891 -40.5959 -12.4507 -11.5346 TIMING: 3558400 CPU: 11117.1, 0.00311446/step Wall: 11117.1, 0.00311446/step, 1.24717 hours remaining, 235.484375 MB of memory in use. ENERGY: 3558400 4011.8894 20573.8490 14384.8615 267.2911 -203541.4550 2718.2204 0.0000 0.0000 51886.8198 -109698.5237 298.1943 -161585.3436 -109341.1108 298.2553 -76.9850 -54.2270 762615.2224 9.9999 10.1346 PRESSURE: 3558600 123.412 -109.328 10.625 -109.328 -5.68672 -86.6722 10.6249 -86.6716 10.0054 GPRESSURE: 3558600 67.9387 -17.7952 21.5738 -91.6902 127.659 -24.5944 105.386 68.7739 -2.51642 PRESSAVG: 3558600 -4.16505 -34.9221 -2.29833 -34.922 17.6363 -32.8091 -2.29831 -32.8091 7.34371 GPRESSAVG: 3558600 -3.41039 -32.5475 -3.2075 -35.5046 18.4055 -32.9191 -0.0777192 -31.2771 5.7339 TIMING: 3558600 CPU: 11117.7, 0.00311193/step Wall: 11117.7, 0.00311193/step, 1.24598 hours remaining, 235.484375 MB of memory in use. ENERGY: 3558600 3919.7243 20511.0195 14364.8097 236.0209 -203387.3005 2793.4224 0.0000 0.0000 52123.9363 -109438.3674 299.5570 -161562.3037 -109069.3367 298.8305 42.5770 64.3604 763425.5836 6.9383 6.9097 PRESSURE: 3558800 -143.163 -139.932 62.9373 -139.933 -194.778 17.2821 62.9372 17.2822 -255.11 GPRESSURE: 3558800 -173.315 -157.54 87.0452 -152.805 -104.258 24.7017 5.20082 100.016 -256.425 PRESSAVG: 3558800 -5.99564 -36.6662 -23.4633 -36.6662 27.027 -14.9485 -23.4633 -14.9484 1.35474 GPRESSAVG: 3558800 -6.61314 -37.7508 -22.1831 -35.9244 26.8538 -15.2695 -24.8892 -14.3494 2.00211 TIMING: 3558800 CPU: 11118.3, 0.00312353/step Wall: 11118.3, 0.00312353/step, 1.25045 hours remaining, 235.484375 MB of memory in use. ENERGY: 3558800 3993.8021 20558.5197 14367.0818 229.2275 -203527.4788 3006.2804 0.0000 0.0000 51931.7454 -109440.8220 298.4525 -161372.5674 -109078.4089 299.2695 -197.6834 -177.9994 764445.9986 7.4620 7.4143 PRESSURE: 3559000 52.2432 -10.446 -207.038 -10.447 -460.068 -13.4729 -207.037 -13.4726 -143.676 GPRESSURE: 3559000 82.1115 -114.117 -277.892 92.3779 -379.946 -17.2792 -368.561 -108.743 -168.907 PRESSAVG: 3559000 -17.7807 -37.1007 -18.4435 -37.1007 5.54757 50.4982 -18.4435 50.4982 0.948902 GPRESSAVG: 3559000 -18.2153 -39.0295 -22.0285 -36.6366 5.52593 51.8146 -16.8168 48.7295 1.65559 TIMING: 3559000 CPU: 11119, 0.00311059/step Wall: 11119, 0.00311059/step, 1.2451 hours remaining, 235.484375 MB of memory in use. ENERGY: 3559000 4032.3048 20527.1655 14363.9575 255.8892 -203403.7666 2803.4522 0.0000 0.0000 51887.3433 -109533.6542 298.1973 -161420.9975 -109180.4111 298.9490 -183.8335 -155.5805 763884.4738 -3.7614 -3.6779 PRESSURE: 3559200 -100.347 -126.525 21.0731 -126.524 -403.017 107.823 21.0733 107.824 -425.158 GPRESSURE: 3559200 -109.935 -209.917 -42.0013 -103.199 -361.341 66.5565 94.5447 86.6442 -360.175 PRESSAVG: 3559200 -3.10042 -26.8027 -0.0909464 -26.8028 -35.7345 21.0615 -0.0909526 21.0615 9.61916 GPRESSAVG: 3559200 -3.00491 -24.5882 1.77327 -25.1261 -37.3975 21.5395 -1.06356 19.5259 11.1173 TIMING: 3559200 CPU: 11119.6, 0.00310455/step Wall: 11119.6, 0.00310455/step, 1.24251 hours remaining, 235.484375 MB of memory in use. ENERGY: 3559200 4098.8969 20403.4537 14433.5460 260.7872 -203188.4106 2369.9852 0.0000 0.0000 52041.8414 -109579.9001 299.0852 -161621.7415 -109210.7862 298.7420 -309.5074 -277.1504 764734.5792 -9.7386 -9.7617 PRESSURE: 3559400 -105.13 180.165 -260.675 180.165 -59.0394 31.2626 -260.675 31.2627 126.252 GPRESSURE: 3559400 -42.1709 119.608 -188.248 81.077 33.3575 7.90723 -284.944 181.997 46.3043 PRESSAVG: 3559400 8.06872 -6.02294 -16.0798 -6.02294 -27.544 32.6297 -16.0798 32.6299 25.8008 GPRESSAVG: 3559400 9.58729 -7.08067 -13.8459 -8.5381 -26.7593 30.1347 -18.917 36.9917 23.3503 TIMING: 3559400 CPU: 11120.2, 0.00314238/step Wall: 11120.2, 0.00314238/step, 1.25748 hours remaining, 235.484375 MB of memory in use. ENERGY: 3559400 3991.2123 20487.4619 14398.4162 243.3807 -203398.0466 2850.9996 0.0000 0.0000 52087.1172 -109339.4587 299.3454 -161426.5758 -108979.0036 298.8889 -12.6391 12.4970 763301.0513 2.1085 2.0595 PRESSURE: 3559600 -355.23 -98.4735 70.8431 -98.4739 -45.5675 -280.579 70.8433 -280.58 -256.938 GPRESSURE: 3559600 -316.433 36.547 -33.3755 -20.8305 33.9276 -274.848 63.4353 -235.399 -300.394 PRESSAVG: 3559600 -48.5105 -19.899 -15.4169 -19.8991 63.5117 1.60336 -15.4169 1.60336 0.286627 GPRESSAVG: 3559600 -49.2524 -18.8349 -18.4629 -18.5946 63.1102 2.51833 -12.7612 1.19475 1.26408 TIMING: 3559600 CPU: 11120.8, 0.00314881/step Wall: 11120.8, 0.00314881/step, 1.25988 hours remaining, 235.484375 MB of memory in use. ENERGY: 3559600 3966.1274 20657.2195 14399.8857 248.0814 -203011.0997 2416.8489 0.0000 0.0000 51913.6008 -109409.3359 298.3482 -161322.9367 -109056.5590 298.9416 -219.2452 -194.2999 762980.7943 5.0960 5.0406 PRESSURE: 3559800 -198.293 -135.251 37.1611 -135.251 121.13 228.801 37.1609 228.801 168.992 GPRESSURE: 3559800 -81.455 -67.0542 12.5136 -72.6386 75.0299 209.028 47.9108 61.0877 195.816 PRESSAVG: 3559800 -50.8586 -20.0627 4.5174 -20.0627 27.1781 57.4712 4.51739 57.4711 -33.875 GPRESSAVG: 3559800 -50.5071 -19.6832 4.83352 -20.6636 27.22 55.5961 3.55605 56.603 -34.6955 TIMING: 3559800 CPU: 11121.5, 0.00312617/step Wall: 11121.5, 0.00312617/step, 1.25064 hours remaining, 235.484375 MB of memory in use. ENERGY: 3559800 4078.5000 20319.2028 14436.1304 233.9991 -203390.4693 2796.3047 0.0000 0.0000 52223.9223 -109302.4100 300.1316 -161526.3323 -108941.0576 299.2202 30.6098 63.1304 763420.7700 -19.1852 -19.3275 PRESSURE: 3560000 45.9705 369.446 -1.68094 369.447 155.093 -19.4044 -1.6808 -19.4057 -538.468 GPRESSURE: 3560000 -9.64955 459.733 33.397 253.387 282.817 22.0591 21.2553 28.9898 -529.271 PRESSAVG: 3560000 -22.629 38.0606 7.52646 38.0606 9.09712 -37.9739 7.52644 -37.9739 10.428 GPRESSAVG: 3560000 -24.3446 38.087 8.36701 38.9002 9.56943 -37.8442 7.49656 -38.2182 11.667 TIMING: 3560000 CPU: 11122.1, 0.0031155/step Wall: 11122.1, 0.0031155/step, 1.2462 hours remaining, 235.484375 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: 3560000 3893.4023 20514.4358 14425.1843 256.2939 -203284.9375 2726.4977 0.0000 0.0000 52194.7915 -109274.3320 299.9642 -161469.1235 -108915.5349 299.6556 -112.4683 -85.3677 762727.0553 -1.0346 -1.0361 PRESSURE: 3560200 101.18 -80.9151 175.19 -80.9155 -150.274 -124.641 175.191 -124.642 -353.702 GPRESSURE: 3560200 92.841 -126.702 66.9087 0.754687 -74.3499 -74.5638 83.7054 -108.157 -339.422 PRESSAVG: 3560200 -43.4048 -22.1646 28.3496 -22.1645 31.4438 58.1513 28.3496 58.1514 -17.4585 GPRESSAVG: 3560200 -42.4049 -22.733 28.7648 -24.1972 31.6877 59.2933 27.487 58.6045 -18.5258 TIMING: 3560200 CPU: 11122.7, 0.00312553/step Wall: 11122.7, 0.00312553/step, 1.25004 hours remaining, 235.484375 MB of memory in use. ENERGY: 3560200 4000.5973 20536.9009 14429.1697 242.2075 -202970.0740 2371.8874 0.0000 0.0000 52099.4072 -109289.9041 299.4160 -161389.3112 -108929.1874 299.8253 -134.2655 -106.9769 761441.8942 -9.8065 -9.7477 LDB: ============= START OF LOAD BALANCING ============== 11135.2 LDB: ============== END OF LOAD BALANCING =============== 11135.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11135.2 LDB: ============= START OF LOAD BALANCING ============== 11135.5 LDB: Largest compute 7031 load 0.029000 is 14.8% of average load 0.195339 LDB: Average compute 0.004377 is 2.2% of average load 0.195339 LDB: TIME 11135.5 LOAD: AVG 0.195339 MAX 0.21491 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 237.594 MB LDB: TIME 11135.5 LOAD: AVG 0.195339 MAX 0.21491 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.594 MB LDB: TIME 11135.5 LOAD: AVG 0.195339 MAX 0.21491 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.594 MB LDB: ============== END OF LOAD BALANCING =============== 11135.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11135.5 PRESSURE: 3560400 -9.75638 159.453 -184.895 159.453 -147.442 -217.553 -184.894 -217.553 34.9949 GPRESSURE: 3560400 104.329 83.4203 -227.503 -0.116758 -198.946 -276.761 -106.631 -222.478 42.0131 PRESSAVG: 3560400 -27.9627 -72.5384 -78.7359 -72.5384 47.735 -7.17777 -78.7359 -7.17772 -28.407 GPRESSAVG: 3560400 -26.7152 -73.3524 -79.4726 -71.7982 46.498 -7.79662 -77.308 -7.00843 -28.4691 TIMING: 3560400 CPU: 11123.4, 0.00320219/step Wall: 11123.4, 0.00320219/step, 1.28052 hours remaining, 234.945312 MB of memory in use. ENERGY: 3560400 3958.1656 20366.8090 14519.9101 231.9748 -202889.6485 2557.2667 0.0000 0.0000 51801.3630 -109454.1591 297.7031 -161255.5221 -109085.2035 299.1536 -40.7345 -17.5348 762026.2470 -2.8783 -2.8955 PRESSURE: 3560600 9.99186 -213.241 91.2005 -213.24 -117.619 189.43 91.2008 189.43 -26.9094 GPRESSURE: 3560600 16.2765 -125.844 14.526 -154.607 -58.2387 50.6085 141.045 225.604 -1.72497 PRESSAVG: 3560600 30.9605 -28.2512 -26.6715 -28.2511 40.4575 16.37 -26.6715 16.3701 -1.96672 GPRESSAVG: 3560600 30.624 -27.9992 -26.9642 -27.9456 40.7765 18.5691 -26.9321 15.3452 -2.62348 TIMING: 3560600 CPU: 11124, 0.00312778/step Wall: 11124, 0.00312778/step, 1.25059 hours remaining, 235.148438 MB of memory in use. ENERGY: 3560600 3937.8524 20464.1041 14428.5596 231.9802 -203358.7302 2811.7505 0.0000 0.0000 51995.8878 -109488.5957 298.8211 -161484.4835 -109119.7973 298.9380 -44.8457 -14.5624 763561.6302 23.1504 22.9257 PRESSURE: 3560800 32.1373 90.5981 -30.9951 90.5991 687.479 217.172 -30.9958 217.172 -136.764 GPRESSURE: 3560800 121.521 57.5266 -8.77454 86.3164 624.812 240.297 -94.4784 175.084 -93.7901 PRESSAVG: 3560800 -33.2712 -2.48094 -4.10489 -2.48089 0.863906 13.0892 -4.1049 13.0892 -4.22435 GPRESSAVG: 3560800 -34.0024 -0.947107 -3.71067 -1.65597 1.04368 11.9618 -3.25191 14.7638 -3.94373 TIMING: 3560800 CPU: 11124.6, 0.00312486/step Wall: 11124.6, 0.00312486/step, 1.24925 hours remaining, 235.148438 MB of memory in use. ENERGY: 3560800 3965.8488 20359.9079 14395.9178 211.8166 -203095.8907 2692.9067 0.0000 0.0000 52045.8829 -109423.6101 299.1084 -161469.4930 -109058.5965 298.8719 194.2839 217.5144 761975.7019 -12.2106 -12.3008 PRESSURE: 3561000 131.408 32.4119 -130.755 32.4119 -231.996 -80.3982 -130.755 -80.3992 -26.9543 GPRESSURE: 3561000 136.059 -37.2426 -151.85 150.12 -213.976 -64.8651 -204.271 1.2354 27.105 PRESSAVG: 3561000 37.8837 -56.394 -15.1651 -56.394 -35.7107 10.4213 -15.1651 10.4212 -11.4852 GPRESSAVG: 3561000 35.929 -54.5886 -16.1918 -57.9147 -36.1679 11.3347 -15.3004 10.7341 -9.37884 TIMING: 3561000 CPU: 11125.2, 0.00313015/step Wall: 11125.2, 0.00313015/step, 1.25119 hours remaining, 235.148438 MB of memory in use. ENERGY: 3561000 3937.5922 20585.4847 14378.4303 247.9575 -203428.6206 2646.2382 0.0000 0.0000 52192.7089 -109440.2089 299.9522 -161632.9178 -109077.3813 299.3226 -42.5141 -16.9373 760621.8896 -3.1041 -3.2059 PRESSURE: 3561200 -17.6461 -6.03536 154.132 -6.03573 -50.7277 209.616 154.132 209.617 -86.4537 GPRESSURE: 3561200 15.8897 -5.23933 114.854 -165.076 -66.3085 161.266 -38.7289 77.2743 -28.5475 PRESSAVG: 3561200 43.5243 -10.3556 39.7766 -10.3556 -57.0521 -22.1681 39.7767 -22.1681 6.20795 GPRESSAVG: 3561200 44.7903 -13.878 39.5276 -11.8376 -56.6852 -23.8533 39.113 -22.5231 4.77259 TIMING: 3561200 CPU: 11125.9, 0.00313232/step Wall: 11125.9, 0.00313232/step, 1.25188 hours remaining, 235.148438 MB of memory in use. ENERGY: 3561200 4064.1048 20421.6148 14390.9336 244.1628 -203319.4155 2699.3267 0.0000 0.0000 51794.4868 -109704.7860 297.6636 -161499.2728 -109341.5418 299.1929 -51.6091 -26.3221 762668.1999 -2.4399 -2.3741 PRESSURE: 3561400 270.583 112.142 -38.8781 112.143 -74.4674 -65.2865 -38.8782 -65.2858 97.0146 GPRESSURE: 3561400 289.16 4.79509 -48.3332 105.544 -59.6453 -37.643 14.4449 -20.6227 151.68 PRESSAVG: 3561400 29.7233 -51.2735 14.0107 -51.2735 -37.9537 29.1672 14.0107 29.1674 24.968 GPRESSAVG: 3561400 30.6258 -49.884 15.4647 -47.6534 -37.905 30.2291 12.4121 28.9036 23.5787 TIMING: 3561400 CPU: 11126.5, 0.0031368/step Wall: 11126.5, 0.0031368/step, 1.2535 hours remaining, 235.148438 MB of memory in use. ENERGY: 3561400 4015.8191 20502.9012 14436.9695 245.8514 -203829.8698 2954.1609 0.0000 0.0000 51883.0537 -109791.1140 298.1726 -161674.1677 -109439.7085 298.3121 97.7101 127.0648 759366.8709 5.5792 5.4332 PRESSURE: 3561600 -141.55 10.6566 13.4905 10.6569 -27.3064 131.938 13.4914 131.938 190.419 GPRESSURE: 3561600 -68.8075 59.2914 -24.8094 96.3021 -20.5434 135.651 -46.0855 168.001 202.222 PRESSAVG: 3561600 -22.715 4.06286 -12.3873 4.06293 26.114 81.6341 -12.3873 81.6341 0.13916 GPRESSAVG: 3561600 -24.4821 3.34488 -12.0696 3.55767 26.4372 81.9765 -11.2328 79.8881 1.08964 TIMING: 3561600 CPU: 11127.1, 0.00311984/step Wall: 11127.1, 0.00311984/step, 1.24655 hours remaining, 235.148438 MB of memory in use. ENERGY: 3561600 4047.3912 20442.7133 14362.9988 237.6891 -203525.1986 2826.2762 0.0000 0.0000 52019.2117 -109588.9182 298.9551 -161608.1299 -109227.3675 298.6283 7.1875 37.6237 762080.8874 1.1794 1.0149 PRESSURE: 3561800 161.585 -16.1558 -49.8708 -16.1551 451.173 59.8475 -49.8715 59.848 -273.278 GPRESSURE: 3561800 186.501 22.9195 -14.9121 3.23305 489.43 114.918 -47.7008 94.101 -252.335 PRESSAVG: 3561800 29.1888 -62.3065 -47.6815 -62.3065 38.899 48.272 -47.6814 48.272 -7.3139 GPRESSAVG: 3561800 30.5209 -62.0498 -48.0243 -63.5093 36.8727 48.5843 -46.9488 50.464 -6.46582 TIMING: 3561800 CPU: 11127.7, 0.00312938/step Wall: 11127.7, 0.00312938/step, 1.25019 hours remaining, 235.148438 MB of memory in use. ENERGY: 3561800 3989.8281 20620.2465 14552.8146 256.3852 -203753.8554 2980.4006 0.0000 0.0000 51736.1103 -109618.0700 297.3281 -161354.1803 -109270.0497 298.7685 113.1598 141.1986 759739.4560 20.2580 20.3093 PRESSURE: 3562000 254.379 -35.5348 183.754 -35.5346 -135.834 -45.832 183.754 -45.831 -187.761 GPRESSURE: 3562000 317.948 -131.243 178.595 26.89 -192.064 -4.83512 140.387 63.3236 -90.1966 PRESSAVG: 3562000 3.31639 -35.1655 59.7119 -35.1655 5.43728 25.359 59.7119 25.3591 4.73762 GPRESSAVG: 3562000 2.58719 -35.6261 59.9322 -33.954 6.60748 25.6455 58.6854 25.2282 4.42999 TIMING: 3562000 CPU: 11128.4, 0.00312584/step Wall: 11128.4, 0.00312584/step, 1.2486 hours remaining, 235.148438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3562000 3884.2047 20523.8047 14412.5602 248.9140 -203184.5629 2646.0240 0.0000 0.0000 51900.5042 -109568.5511 298.2729 -161469.0554 -109215.4773 298.8971 -23.0719 11.8958 760994.5091 4.4971 4.5416 PRESSURE: 3562200 161.168 6.91528 -56.147 6.91555 -37.109 186.095 -56.1462 186.095 239.582 GPRESSURE: 3562200 155.812 -112.79 -132.533 24.5791 26.1416 171.502 14.3056 100.21 250.736 PRESSAVG: 3562200 29.1294 1.38849 -47.6395 1.38839 -55.1397 43.0567 -47.6396 43.0568 -6.03886 GPRESSAVG: 3562200 28.7153 2.00598 -47.7405 -0.377281 -54.3503 42.2849 -45.4403 42.2005 -6.68551 TIMING: 3562200 CPU: 11129, 0.00309792/step Wall: 11129, 0.00309792/step, 1.23727 hours remaining, 235.148438 MB of memory in use. ENERGY: 3562200 3916.7185 20508.3111 14519.7708 240.4233 -203494.0568 2594.8735 0.0000 0.0000 51925.9661 -109787.9935 298.4192 -161713.9595 -109431.7742 298.4183 121.2138 144.2299 761796.1153 -10.6830 -10.7735 PRESSURE: 3562400 -180.627 121.616 156.651 121.616 -168.383 174.165 156.652 174.166 1.98665 GPRESSURE: 3562400 -132.946 186.962 209.029 -115.729 -144.548 106.139 163.82 132.081 2.8317 PRESSAVG: 3562400 -24.9581 25.0654 51.5904 25.0654 39.0731 9.03955 51.5904 9.03955 9.84597 GPRESSAVG: 3562400 -25.0197 26.6217 52.1568 25.0017 38.6431 10.5106 49.0769 10.3611 10.0694 TIMING: 3562400 CPU: 11129.6, 0.00309872/step Wall: 11129.6, 0.00309872/step, 1.23742 hours remaining, 235.148438 MB of memory in use. ENERGY: 3562400 3963.5952 20480.8250 14373.1743 256.8336 -203479.5381 2602.7419 0.0000 0.0000 52008.8937 -109793.4745 298.8958 -161802.3681 -109437.1685 298.5900 -115.6746 -91.5540 761237.1394 7.9870 7.8976 PRESSURE: 3562600 -158.845 6.95459 174.695 6.95424 168.665 226.886 174.695 226.886 61.3176 GPRESSURE: 3562600 -184.724 -24.8883 176.708 -49.6698 214.966 220.827 138.851 111.493 119.97 PRESSAVG: 3562600 19.29 10.4628 15.513 10.4627 -23.7913 -39.5716 15.513 -39.5716 -4.5147 GPRESSAVG: 3562600 19.4103 9.96334 15.5281 11.7337 -24.2033 -40.5726 16.4986 -41.402 -4.09346 TIMING: 3562600 CPU: 11130.2, 0.003122/step Wall: 11130.2, 0.003122/step, 1.24654 hours remaining, 235.148438 MB of memory in use. ENERGY: 3562600 3975.8120 20512.6843 14383.0410 241.8048 -203807.1413 2841.8329 0.0000 0.0000 52060.1044 -109791.8618 299.1901 -161851.9662 -109427.4027 298.3677 23.7124 50.0709 761641.6237 -3.0053 -2.9622 PRESSURE: 3562800 -82.9459 -141.081 -191.145 -141.081 173.901 140.896 -191.145 140.896 68.4004 GPRESSURE: 3562800 -29.2101 -144.933 -182.59 -179.448 218.241 110.267 -176.779 55.9948 47.1876 PRESSAVG: 3562800 -28.3768 2.39115 -9.77571 2.39117 45.152 -19.5975 -9.77574 -19.5975 19.7321 GPRESSAVG: 3562800 -28.7089 1.46702 -10.743 2.12168 46.5922 -20.0435 -9.87051 -18.7495 18.6731 TIMING: 3562800 CPU: 11130.8, 0.00310722/step Wall: 11130.8, 0.00310722/step, 1.24047 hours remaining, 235.148438 MB of memory in use. ENERGY: 3562800 4068.0014 20568.5775 14423.8123 257.1168 -203503.7437 2578.1298 0.0000 0.0000 51888.5784 -109719.5274 298.2044 -161608.1058 -109361.9531 298.6547 53.1186 78.7396 760461.3287 12.1691 12.1855 PRESSURE: 3563000 -289.59 266.283 -133.645 266.282 -35.6765 -25.2645 -133.644 -25.2653 -200.583 GPRESSURE: 3563000 -210.513 280.387 -101.831 228.375 -35.6514 129.533 -287.133 7.64363 -192.287 PRESSAVG: 3563000 -45.8733 -25.3189 -7.03966 -25.3189 43.7914 29.6194 -7.03966 29.6193 -9.70963 GPRESSAVG: 3563000 -44.7317 -24.2275 -7.40407 -24.8022 41.9771 31.4808 -5.86152 29.5867 -9.15018 TIMING: 3563000 CPU: 11131.5, 0.00312149/step Wall: 11131.5, 0.00312149/step, 1.24599 hours remaining, 235.148438 MB of memory in use. ENERGY: 3563000 3965.0060 20650.2156 14473.2660 249.4696 -203469.1858 2571.6716 0.0000 0.0000 52000.4354 -109559.1217 298.8472 -161559.5570 -109199.5260 298.7300 -175.2830 -146.1503 762086.9163 -3.9305 -3.9683 PRESSURE: 3563200 -193.079 -24.4026 88.0918 -24.4025 -359.084 156.882 88.0916 156.882 137.978 GPRESSURE: 3563200 -171.56 -52.9667 127.617 30.0724 -261.391 25.3242 89.2332 130.736 112.544 PRESSAVG: 3563200 7.02971 -57.6804 -14.861 -57.6803 13.9083 39.5344 -14.861 39.5344 -19.4366 GPRESSAVG: 3563200 5.73341 -56.9477 -14.2793 -57.8606 14.5418 36.5844 -15.2387 40.5658 -18.9946 TIMING: 3563200 CPU: 11132.1, 0.00311354/step Wall: 11132.1, 0.00311354/step, 1.24265 hours remaining, 235.148438 MB of memory in use. ENERGY: 3563200 3944.6062 20505.4511 14475.8655 213.7658 -203164.9927 2279.8365 0.0000 0.0000 52344.8513 -109400.6163 300.8266 -161745.4676 -109039.3040 299.5550 -138.0616 -106.8023 760710.1456 0.5005 0.4269 PRESSURE: 3563400 -49.1647 -229.242 2.80989 -229.242 -91.4936 20.8284 2.81001 20.8297 225.587 GPRESSURE: 3563400 -73.2339 -273.845 87.2851 -239.285 60.3674 32.9911 -28.8833 80.7018 180.717 PRESSAVG: 3563400 11.2986 -21.6627 -19.0315 -21.6627 41.73 61.7115 -19.0315 61.7116 11.9162 GPRESSAVG: 3563400 12.1252 -25.3145 -18.5781 -21.0523 41.2639 62.8371 -18.5973 62.2129 11.6659 TIMING: 3563400 CPU: 11132.7, 0.00311307/step Wall: 11132.7, 0.00311307/step, 1.24229 hours remaining, 235.148438 MB of memory in use. ENERGY: 3563400 4061.6294 20575.3941 14455.2646 241.1832 -203160.4921 2667.0393 0.0000 0.0000 51960.5700 -109199.4116 298.6181 -161159.9815 -108840.6982 300.0421 28.3097 55.9501 759931.8973 21.6483 21.6850 PRESSURE: 3563600 -209.532 -78.0789 243.838 -78.0787 67.4421 -112.392 243.838 -112.393 -49.4753 GPRESSURE: 3563600 -236.518 -50.1753 309.213 -111.3 105.216 -93.2322 197.446 -184.014 15.1744 PRESSAVG: 3563600 -58.164 -37.2217 31.553 -37.2217 57.979 65.3861 31.5529 65.3861 5.545 GPRESSAVG: 3563600 -59.2316 -34.2877 31.5135 -38.0301 58.0264 65.3367 31.7116 64.1519 5.85114 TIMING: 3563600 CPU: 11133.3, 0.00310501/step Wall: 11133.3, 0.00310501/step, 1.2389 hours remaining, 235.148438 MB of memory in use. ENERGY: 3563600 4048.0723 20575.5822 14444.7245 244.6890 -203118.2229 2464.1611 0.0000 0.0000 52032.4579 -109308.5358 299.0313 -161340.9937 -108948.3102 299.3870 -63.8549 -38.7092 761378.5245 1.7867 1.5487 PRESSURE: 3563800 -11.2297 34.4695 173.709 34.469 201.67 -118.437 173.709 -118.436 133.741 GPRESSURE: 3563800 161.766 28.8839 179.735 71.7368 92.3022 -146.654 97.0591 13.3804 162.065 PRESSAVG: 3563800 -58.4913 -21.2391 1.83658 -21.2392 74.5194 -35.9224 1.83662 -35.9223 8.18538 GPRESSAVG: 3563800 -57.3236 -22.7003 1.79015 -21.5793 72.6636 -36.6614 0.225994 -37.3095 9.06438 TIMING: 3563800 CPU: 11134, 0.00310287/step Wall: 11134, 0.00310287/step, 1.23787 hours remaining, 235.148438 MB of memory in use. ENERGY: 3563800 3985.5255 20622.7631 14371.5817 245.7411 -203497.7031 2773.2877 0.0000 0.0000 52200.9194 -109297.8845 299.9994 -161498.8039 -108955.3547 299.6490 108.0606 138.7110 761003.1529 8.0712 8.1348 PRESSURE: 3564000 13.4285 -211.595 -13.806 -211.595 -226.695 -242.189 -13.805 -242.19 -73.5204 GPRESSURE: 3564000 33.1291 -213.229 26.235 -40.5005 -201.486 -294.165 74.381 -183.55 -17.9573 PRESSAVG: 3564000 -40.7386 12.0241 -20.3218 12.0243 52.1653 5.11522 -20.3218 5.11529 5.02493 GPRESSAVG: 3564000 -40.8228 11.8172 -20.8352 12.4966 54.0575 7.53043 -18.7018 6.72814 3.65324 TIMING: 3564000 CPU: 11134.6, 0.00312079/step Wall: 11134.6, 0.00312079/step, 1.24485 hours remaining, 235.148438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3564000 3984.6775 20482.8985 14436.4802 237.0396 -203355.7320 2638.2254 0.0000 0.0000 52162.7586 -109413.6524 299.7801 -161576.4110 -109045.3600 299.3779 -95.5954 -62.1049 760824.7035 5.4839 5.6293 PRESSURE: 3564200 18.1324 137.383 -221.915 137.384 167.837 5.76045 -221.915 5.75931 155.22 GPRESSURE: 3564200 32.2627 145.855 -306.354 80.6523 256.318 69.6049 -212.137 -62.1578 148.537 PRESSAVG: 3564200 -21.7856 2.14881 30.1153 2.14881 27.9085 4.97597 30.1152 4.97602 27.278 GPRESSAVG: 3564200 -20.5023 2.77628 30.2632 1.29029 27.2274 2.88217 29.7553 3.97226 26.9419 TIMING: 3564200 CPU: 11135.2, 0.00310171/step Wall: 11135.2, 0.00310171/step, 1.23707 hours remaining, 235.148438 MB of memory in use. ENERGY: 3564200 3992.9667 20494.6690 14347.5397 241.3981 -203572.0433 3077.0404 0.0000 0.0000 52038.8966 -109379.5327 299.0683 -161418.4293 -109024.2682 299.4939 113.7298 145.7060 760910.8159 11.1336 11.2224 LDB: ============= START OF LOAD BALANCING ============== 11147.7 LDB: ============== END OF LOAD BALANCING =============== 11147.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11147.7 LDB: ============= START OF LOAD BALANCING ============== 11148 LDB: Largest compute 7070 load 0.030999 is 15.9% of average load 0.195235 LDB: Average compute 0.004360 is 2.2% of average load 0.195235 LDB: TIME 11148 LOAD: AVG 0.195235 MAX 0.214463 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.176 MB LDB: TIME 11148 LOAD: AVG 0.195235 MAX 0.214463 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.176 MB LDB: TIME 11148 LOAD: AVG 0.195235 MAX 0.214463 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.176 MB LDB: ============== END OF LOAD BALANCING =============== 11148 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11148 PRESSURE: 3564400 -256.122 24.4875 98.1962 24.4874 -112.407 116.631 98.1969 116.631 90.7504 GPRESSURE: 3564400 -249.742 67.0011 71.1483 8.92028 14.5275 167.816 80.681 4.77073 48.4889 PRESSAVG: 3564400 -38.0354 -35.4834 15.8344 -35.4834 39.3877 10.3244 15.8344 10.3244 -23.2486 GPRESSAVG: 3564400 -39.2244 -37.5176 16.2942 -33.0435 38.8912 11.6997 16.4479 10.628 -22.1796 TIMING: 3564400 CPU: 11135.8, 0.00316779/step Wall: 11135.8, 0.00316779/step, 1.26324 hours remaining, 235.714844 MB of memory in use. ENERGY: 3564400 4016.0632 20600.9111 14422.5593 243.7452 -203030.0102 2302.0192 0.0000 0.0000 52080.4581 -109364.2540 299.3071 -161444.7122 -109003.7313 299.4288 -92.5931 -62.2418 760125.2657 -7.2988 -7.5043 PRESSURE: 3564600 -285.324 -58.6583 101.152 -58.6591 -100.196 -77.1721 101.152 -77.1728 -73.4818 GPRESSURE: 3564600 -213.126 -62.808 28.5048 -67.3199 -93.9714 -79.8739 229.776 -103.38 -60.0447 PRESSAVG: 3564600 -32.7854 7.33523 28.7299 7.33525 11.9011 -46.5829 28.7299 -46.583 13.7129 GPRESSAVG: 3564600 -31.6999 7.8626 28.5792 4.95882 11.1954 -46.7801 27.9436 -47.2527 13.3396 TIMING: 3564600 CPU: 11136.5, 0.00311019/step Wall: 11136.5, 0.00311019/step, 1.2401 hours remaining, 235.785156 MB of memory in use. ENERGY: 3564600 3966.9981 20635.5819 14429.8713 233.0930 -203259.8581 2526.5436 0.0000 0.0000 51961.6777 -109506.0923 298.6245 -161467.7700 -109148.4944 299.7216 -153.0006 -122.3808 760539.6529 -2.3905 -2.3883 PRESSURE: 3564800 -51.8289 67.7374 21.5165 67.7374 1.75412 2.86983 21.5165 2.86978 24.0072 GPRESSURE: 3564800 50.5093 56.9112 76.5762 154.537 -30.532 79.4086 87.321 7.17003 34.3292 PRESSAVG: 3564800 2.82209 -8.46402 22.7348 -8.46402 -22.2999 -27.9675 22.7348 -27.9675 0.0862602 GPRESSAVG: 3564800 1.84265 -6.65551 22.4132 -9.06348 -20.2612 -27.9746 24.6611 -25.7597 -1.06453 TIMING: 3564800 CPU: 11137.1, 0.00311047/step Wall: 11137.1, 0.00311047/step, 1.24004 hours remaining, 235.785156 MB of memory in use. ENERGY: 3564800 3949.4883 20604.8471 14430.5463 261.9098 -203399.1551 2717.1183 0.0000 0.0000 52071.4189 -109363.8263 299.2552 -161435.2452 -109008.4868 299.3241 -8.6892 18.1022 760994.9782 -6.4638 -6.4943 PRESSURE: 3565000 -319.305 179.524 9.52782 179.525 356.245 5.42542 9.52872 5.42545 62.3097 GPRESSURE: 3565000 -214.375 59.1165 -57.4643 155.51 329.697 56.5152 64.2403 -71.0632 66.8278 PRESSAVG: 3565000 -42.1263 36.5319 -52.7913 36.5319 58.3287 -45.9773 -52.7913 -45.9773 25.7623 GPRESSAVG: 3565000 -41.4646 34.0419 -53.6097 36.7914 56.8191 -46.8213 -50.5729 -46.3016 27.2097 TIMING: 3565000 CPU: 11137.7, 0.00310374/step Wall: 11137.7, 0.00310374/step, 1.23718 hours remaining, 235.785156 MB of memory in use. ENERGY: 3565000 3931.0006 20543.7113 14370.4051 241.5479 -203162.9019 2548.4745 0.0000 0.0000 52143.1082 -109384.6544 299.6672 -161527.7625 -109010.0752 299.3197 33.0834 60.7164 760965.7392 13.9882 14.1881 PRESSURE: 3565200 -109.638 118.807 181.263 118.807 241.244 156.531 181.264 156.532 -19.5248 GPRESSURE: 3565200 -85.957 87.588 246.396 248.306 303.038 77.5108 22.1002 290.531 -35.7875 PRESSAVG: 3565200 -30.5344 53.7587 -8.48291 53.7586 78.6008 -1.7642 -8.48292 -1.76415 -19.5266 GPRESSAVG: 3565200 -30.9395 54.01 -7.12571 54.4586 79.6018 -0.65647 -14.2352 -3.40546 -19.8115 TIMING: 3565200 CPU: 11138.3, 0.00310912/step Wall: 11138.3, 0.00310912/step, 1.23916 hours remaining, 235.785156 MB of memory in use. ENERGY: 3565200 3894.8218 20747.9964 14385.3042 244.8117 -203693.1601 2615.8128 0.0000 0.0000 52403.1983 -109401.2150 301.1619 -161804.4133 -109036.6860 299.5644 37.3607 60.4312 761470.2919 9.5133 9.6169 PRESSURE: 3565400 -90.3465 -66.9649 -77.7011 -66.9653 -22.5998 149.167 -77.7014 149.166 -322.765 GPRESSURE: 3565400 -66.3965 -204.71 -90.9327 51.0746 -3.01902 115.725 94.8159 145.221 -288.552 PRESSAVG: 3565400 6.20583 -2.75219 31.7067 -2.75213 18.693 34.0663 31.7068 34.0663 3.91894 GPRESSAVG: 3565400 5.76097 -3.05897 31.1507 -2.31205 18.1203 32.6237 34.7863 36.0111 4.9895 TIMING: 3565400 CPU: 11138.9, 0.00312176/step Wall: 11138.9, 0.00312176/step, 1.24402 hours remaining, 235.785156 MB of memory in use. ENERGY: 3565400 3959.0749 20673.0559 14381.3032 239.1629 -203165.6694 2656.8289 0.0000 0.0000 51969.8392 -109286.4044 298.6714 -161256.2436 -108923.0730 299.2461 -145.2372 -119.3224 763206.8557 9.6059 9.6236 PRESSURE: 3565600 -430.968 105.868 -75.5381 105.868 25.3277 206.317 -75.5376 206.318 -213.702 GPRESSURE: 3565600 -388.987 103.789 -57.6547 127.286 63.3938 203.501 -73.0221 140.308 -190.779 PRESSAVG: 3565600 12.4899 -11.9793 6.40646 -11.9793 2.62437 65.6447 6.40638 65.6447 -21.6172 GPRESSAVG: 3565600 13.1309 -11.4695 5.24951 -12.4479 2.38051 67.4578 6.65443 60.909 -22.2059 TIMING: 3565600 CPU: 11139.6, 0.00311872/step Wall: 11139.6, 0.00311872/step, 1.24264 hours remaining, 235.785156 MB of memory in use. ENERGY: 3565600 4021.7797 20670.0686 14402.6328 241.6184 -203075.3252 2497.5756 0.0000 0.0000 52154.1063 -109087.5438 299.7304 -161241.6501 -108732.7570 300.0967 -206.4473 -172.1239 761587.6239 -2.1676 -2.2315 PRESSURE: 3565800 -445.048 -15.9423 -180.427 -15.9433 -175.904 -37.8895 -180.427 -37.8891 425.993 GPRESSURE: 3565800 -325.976 -28.9062 -251.487 34.6006 -139.94 28.3115 -237.147 -26.8323 352.402 PRESSAVG: 3565800 -12.0045 -35.6482 -47.6299 -35.6481 6.67712 -36.1623 -47.6299 -36.1623 -17.3238 GPRESSAVG: 3565800 -12.8539 -36.2205 -46.656 -33.5821 7.07911 -36.5897 -48.2267 -32.795 -16.5647 TIMING: 3565800 CPU: 11140.2, 0.00311063/step Wall: 11140.2, 0.00311063/step, 1.23924 hours remaining, 235.785156 MB of memory in use. ENERGY: 3565800 3988.7250 20724.6468 14434.7661 226.9917 -202979.4011 2060.9287 0.0000 0.0000 52082.2061 -109461.1367 299.3172 -161543.3428 -109102.7348 300.1789 -64.9862 -37.8382 762093.1397 -7.5504 -7.4465 PRESSURE: 3566000 -240.639 -55.4912 74.6805 -55.4908 292.874 23.0934 74.681 23.0933 158.216 GPRESSURE: 3566000 -251.63 19.4084 115.613 -98.0765 297.643 19.1003 57.7715 28.014 251.502 PRESSAVG: 3566000 -57.3776 -47.9278 -4.31198 -47.9278 62.7128 -13.5015 -4.31199 -13.5015 11.1534 GPRESSAVG: 3566000 -57.6118 -44.6723 -5.54606 -51.975 63.4742 -14.0732 -4.33535 -13.3161 10.4521 TIMING: 3566000 CPU: 11140.8, 0.00313037/step Wall: 11140.8, 0.00313037/step, 1.24693 hours remaining, 235.785156 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: 3566000 3986.6573 20594.2048 14349.9049 249.6180 -203636.6929 2797.9905 0.0000 0.0000 52281.8353 -109376.4821 300.4644 -161658.3174 -109015.1531 299.8066 70.1502 99.1715 760789.9160 5.4962 5.4382 PRESSURE: 3566200 -121.389 145.523 93.3985 145.524 -33.1309 53.5744 93.3982 53.5741 -188.127 GPRESSURE: 3566200 -72.7509 44.4689 163.8 -62.3828 -20.8788 19.5939 -107.288 -64.3881 -146.42 PRESSAVG: 3566200 -43.3781 -39.7836 -37.4879 -39.7836 47.7922 -25.1391 -37.4879 -25.1391 -4.84723 GPRESSAVG: 3566200 -42.6453 -43.543 -36.6252 -40.5811 46.8668 -26.05 -36.8852 -25.0169 -5.14502 TIMING: 3566200 CPU: 11141.4, 0.00312953/step Wall: 11141.4, 0.00312953/step, 1.24642 hours remaining, 235.785156 MB of memory in use. ENERGY: 3566200 4047.5259 20658.4071 14420.0101 217.6880 -203586.2330 2813.7115 0.0000 0.0000 51928.2709 -109500.6196 298.4325 -161428.8905 -109145.0164 299.4276 -114.2156 -80.0164 762628.5347 -0.1444 -0.3078 PRESSURE: 3566400 26.2264 -51.3822 136.344 -51.3822 358.622 -41.8748 136.343 -41.8751 141.949 GPRESSURE: 3566400 83.4819 -148.174 166.954 -89.3779 374.418 -45.6121 106.67 -70.1564 164.761 PRESSAVG: 3566400 -56.4253 -7.00332 -11.8955 -7.00334 26.6948 15.6998 -11.8954 15.6999 2.49816 GPRESSAVG: 3566400 -57.319 -5.37198 -10.876 -4.09009 26.4784 17.3738 -12.7186 15.4297 3.60784 TIMING: 3566400 CPU: 11142.1, 0.00312113/step Wall: 11142.1, 0.00312113/step, 1.2429 hours remaining, 235.785156 MB of memory in use. ENERGY: 3566400 3883.2977 20557.7933 14400.5557 240.8058 -203476.9199 2618.6660 0.0000 0.0000 52216.5646 -109559.2367 300.0893 -161775.8014 -109193.5923 299.3193 175.5991 207.5536 760752.1620 -9.0774 -9.0776 PRESSURE: 3566600 278.032 -120.778 31.786 -120.778 -55.0567 -159.148 31.7864 -159.148 -1.68656 GPRESSURE: 3566600 339.033 -209.769 40.7193 -137.048 13.4127 -40.4375 73.3296 -77.4629 -46.1321 PRESSAVG: 3566600 -12.6372 12.2959 -7.08346 12.2959 45.4164 54.6813 -7.08349 54.6814 -3.79742 GPRESSAVG: 3566600 -12.0684 11.386 -8.33841 12.0147 45.954 53.523 -6.78201 54.145 -4.80395 TIMING: 3566600 CPU: 11142.7, 0.00311739/step Wall: 11142.7, 0.00311739/step, 1.24124 hours remaining, 235.785156 MB of memory in use. ENERGY: 3566600 4034.3242 20478.1179 14520.1248 245.9199 -203454.0888 2605.1165 0.0000 0.0000 51826.8939 -109743.5916 297.8499 -161570.4855 -109377.8689 298.6468 73.7629 102.1045 760028.6357 9.6606 9.6939 PRESSURE: 3566800 -430.513 239.687 -182.011 239.687 -124.923 -57.4418 -182.011 -57.4417 -374.279 GPRESSURE: 3566800 -363.931 153.876 -70.4556 195.753 -44.5173 42.8457 -279.728 -47.1641 -432.902 PRESSAVG: 3566800 -3.97324 21.9525 -59.115 21.9525 33.704 -5.1271 -59.115 -5.1271 0.713233 GPRESSAVG: 3566800 -5.58912 22.0986 -57.8621 21.7932 34.7498 -5.13128 -58.9889 -3.96815 0.737438 TIMING: 3566800 CPU: 11143.3, 0.00311783/step Wall: 11143.3, 0.00311783/step, 1.24124 hours remaining, 235.785156 MB of memory in use. ENERGY: 3566800 4003.6069 20436.4482 14440.9298 238.1440 -203273.7650 2504.0035 0.0000 0.0000 52078.1035 -109572.5291 299.2936 -161650.6326 -109207.5103 298.3633 -309.9049 -280.4500 762818.2008 10.1480 9.9660 PRESSURE: 3567000 148.7 -64.087 42.0014 -64.0874 -102.77 55.7535 42.0005 55.7526 -158.222 GPRESSURE: 3567000 78.9907 -39.5065 31.155 -127.749 -6.08561 36.337 -63.3648 -6.35096 -85.0936 PRESSAVG: 3567000 -7.32182 -20.9075 -21.621 -20.9075 42.172 37.1 -21.6211 37.1 -14.4741 GPRESSAVG: 3567000 -5.92517 -22.3897 -21.819 -20.1205 39.8955 37.1601 -21.4883 34.6803 -13.3674 TIMING: 3567000 CPU: 11143.9, 0.00310593/step Wall: 11143.9, 0.00310593/step, 1.23633 hours remaining, 235.785156 MB of memory in use. ENERGY: 3567000 3970.7321 20571.6251 14408.9956 255.8689 -203397.4175 2661.5637 0.0000 0.0000 52096.0330 -109432.5990 299.3966 -161528.6321 -109071.5373 298.9520 -37.4306 -4.0628 762508.5954 6.7920 6.8676 PRESSURE: 3567200 -381.417 135.909 155.666 135.91 -70.5325 180.133 155.666 180.133 -161.399 GPRESSURE: 3567200 -364.479 85.8509 90.1715 134.253 -35.0527 306.314 79.3037 199.949 -141.239 PRESSAVG: 3567200 -73.6896 -17.7928 -13.9676 -17.7927 60.2587 33.1235 -13.9676 33.1235 3.47631 GPRESSAVG: 3567200 -73.7108 -14.8933 -15.3661 -19.0318 61.149 33.6183 -12.7942 33.2376 2.71395 TIMING: 3567200 CPU: 11144.6, 0.00310405/step Wall: 11144.6, 0.00310405/step, 1.23541 hours remaining, 235.785156 MB of memory in use. ENERGY: 3567200 4110.6026 20466.9878 14530.8423 242.7513 -203448.0001 2662.0162 0.0000 0.0000 52006.4131 -109428.3869 298.8816 -161434.8000 -109078.8663 299.0666 -204.4495 -180.2569 762214.4883 -3.3182 -3.2826 PRESSURE: 3567400 -184.909 121.629 28.7774 121.63 -111.488 -125.218 28.7763 -125.218 174.365 GPRESSURE: 3567400 -213.146 67.5588 97.8349 82.1544 -21.9496 -170.304 26.5076 7.78724 193.277 PRESSAVG: 3567400 -0.85724 8.16077 7.01688 8.16077 -16.1152 -22.9724 7.01693 -22.9724 -8.88948 GPRESSAVG: 3567400 -1.41919 7.53603 7.88817 6.19428 -16.1573 -22.2006 6.24864 -20.9172 -7.86677 TIMING: 3567400 CPU: 11145.2, 0.00310338/step Wall: 11145.2, 0.00310338/step, 1.23497 hours remaining, 235.785156 MB of memory in use. ENERGY: 3567400 3983.9593 20643.8403 14519.2075 224.6064 -203192.2651 2292.6162 0.0000 0.0000 52068.1437 -109459.8917 299.2363 -161528.0354 -109093.8621 299.5157 -40.6771 -13.9396 760545.4913 -8.6206 -8.4811 PRESSURE: 3567600 -198.446 128.621 95.8046 128.621 -159.403 38.9115 95.8051 38.91 -210.457 GPRESSURE: 3567600 -234.615 86.4415 18.7535 173.327 -149.201 -32.27 78.1587 -64.102 -109.689 PRESSAVG: 3567600 -46.8097 14.8406 -21.0752 14.8406 -8.93758 -3.1338 -21.0752 -3.13391 8.56895 GPRESSAVG: 3567600 -46.0657 15.6752 -20.954 15.8 -8.9784 -3.08894 -21.6638 -4.71504 8.07723 TIMING: 3567600 CPU: 11145.8, 0.00310556/step Wall: 11145.8, 0.00310556/step, 1.23567 hours remaining, 235.785156 MB of memory in use. ENERGY: 3567600 4013.6811 20574.1734 14472.3377 249.4300 -203153.5667 2428.1187 0.0000 0.0000 51855.3466 -109560.4793 298.0134 -161415.8259 -109189.9226 299.1655 -189.4356 -164.5019 762834.7792 -15.7261 -15.6556 PRESSURE: 3567800 -158.426 10.1167 193.177 10.1166 22.412 15.001 193.177 15.0004 225.081 GPRESSURE: 3567800 -83.9063 31.8211 20.8995 -107.947 -9.40887 187.767 165.936 -71.3299 260.378 PRESSAVG: 3567800 39.8999 31.6942 -3.76179 31.6943 22.9082 12.5595 -3.76184 12.5594 -2.72394 GPRESSAVG: 3567800 39.9134 31.4681 -5.65728 32.3982 22.3729 13.5 -1.41453 13.1751 -2.2347 TIMING: 3567800 CPU: 11146.4, 0.00311197/step Wall: 11146.4, 0.00311197/step, 1.23804 hours remaining, 235.785156 MB of memory in use. ENERGY: 3567800 4086.3676 20507.6370 14296.1671 227.5919 -203443.5701 2551.7108 0.0000 0.0000 51980.4914 -109793.6044 298.7326 -161774.0958 -109436.9241 299.1746 29.6890 55.6876 760452.9004 20.0280 20.0172 PRESSURE: 3568000 -59.8917 -360.474 -13.86 -360.475 211.422 -74.7967 -13.861 -74.7967 134.654 GPRESSURE: 3568000 5.20044 -265.92 21.2203 -305.946 249.774 -137.553 107.283 -51.4476 133.503 PRESSAVG: 3568000 -9.10368 -57.9009 45.2918 -57.9009 10.6767 40.4581 45.2918 40.458 5.54595 GPRESSAVG: 3568000 -8.17667 -58.2586 48.1252 -57.0229 10.9281 39.6079 42.1219 42.29 4.73887 TIMING: 3568000 CPU: 11147, 0.00310855/step Wall: 11147, 0.00310855/step, 1.23651 hours remaining, 235.785156 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: 3568000 4003.4723 20560.0805 14340.5082 263.6659 -203901.9557 2780.5754 0.0000 0.0000 51946.9522 -110006.7013 298.5398 -161953.6535 -109635.7024 298.3380 95.3948 129.4925 760090.9580 2.3730 2.4968 PRESSURE: 3568200 -66.7007 69.0132 82.438 69.0128 514.667 -34.4998 82.4381 -34.5002 -125.631 GPRESSURE: 3568200 -18.6933 138.649 105.592 50.0949 524.71 -43.6284 -11.5604 30.1218 -97.2917 PRESSAVG: 3568200 -35.1849 -9.60569 -0.371242 -9.60576 1.50241 -0.360868 -0.371178 -0.360883 17.5912 GPRESSAVG: 3568200 -36.3973 -10.623 0.892334 -9.72415 2.23982 -0.643687 -0.099057 -1.92935 17.8251 TIMING: 3568200 CPU: 11147.7, 0.00313248/step Wall: 11147.7, 0.00313248/step, 1.24586 hours remaining, 235.785156 MB of memory in use. ENERGY: 3568200 4072.9655 20456.4519 14374.0692 245.3040 -204187.5959 3093.7202 0.0000 0.0000 52080.3138 -109864.7712 299.3063 -161945.0850 -109494.5515 298.1856 107.4451 136.2417 761025.0685 -5.3638 -5.4441 LDB: ============= START OF LOAD BALANCING ============== 11160.1 LDB: ============== END OF LOAD BALANCING =============== 11160.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11160.1 LDB: ============= START OF LOAD BALANCING ============== 11160.5 LDB: Largest compute 7070 load 0.029196 is 15.0% of average load 0.195223 LDB: Average compute 0.004344 is 2.2% of average load 0.195223 LDB: TIME 11160.5 LOAD: AVG 0.195223 MAX 0.214933 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.203 MB LDB: TIME 11160.5 LOAD: AVG 0.195223 MAX 0.214933 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.203 MB LDB: TIME 11160.5 LOAD: AVG 0.195223 MAX 0.214933 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.203 MB LDB: ============== END OF LOAD BALANCING =============== 11160.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11160.5 PRESSURE: 3568400 353.231 -26.9552 -209.166 -26.9552 17.373 -28.5097 -209.166 -28.5103 465.089 GPRESSURE: 3568400 342.89 -116.641 -216.964 -87.7892 160.528 -13.4593 -156.091 -54.4203 419.966 PRESSAVG: 3568400 31.2211 -19.4061 -26.3302 -19.4061 12.8545 17.1735 -26.3302 17.1735 -11.0635 GPRESSAVG: 3568400 30.9994 -18.7202 -27.3611 -20.8797 13.2181 16.4722 -25.8625 16.6939 -11.2618 TIMING: 3568400 CPU: 11148.3, 0.00317058/step Wall: 11148.3, 0.00317058/step, 1.26084 hours remaining, 234.257812 MB of memory in use. ENERGY: 3568400 4002.1928 20618.4757 14274.6104 245.0438 -204142.0973 3197.6614 0.0000 0.0000 51795.0815 -110009.0316 297.6670 -161804.1131 -109653.8139 298.5452 278.5644 307.7946 763339.1245 11.0040 10.9852 PRESSURE: 3568600 142.298 -111.611 76.9186 -111.611 233.469 116.852 76.9185 116.852 142.486 GPRESSURE: 3568600 143.669 -153.402 50.2277 -17.3889 328.642 50.5824 -5.94587 67.8442 134.246 PRESSAVG: 3568600 29.4052 -53.6764 -20.3657 -53.6764 -25.183 30.9644 -20.3657 30.9644 29.4011 GPRESSAVG: 3568600 29.7341 -55.4999 -21.3276 -52.2684 -26.9625 32.9652 -18.2581 28.9785 30.6321 TIMING: 3568600 CPU: 11148.9, 0.00310011/step Wall: 11148.9, 0.00310011/step, 1.23264 hours remaining, 234.257812 MB of memory in use. ENERGY: 3568600 3954.9618 20394.3179 14402.1738 223.0551 -204161.4326 3315.6804 0.0000 0.0000 52126.0190 -109745.2246 299.5689 -161871.2435 -109382.8476 298.5644 172.7510 202.1857 760072.2020 11.2078 11.1346 PRESSURE: 3568800 62.5232 -235.916 -32.148 -235.916 -38.701 292.141 -32.1479 292.141 5.6465 GPRESSURE: 3568800 23.2404 -221.349 23.4944 -169.481 27.6049 265.709 12.691 378.271 50.4283 PRESSAVG: 3568800 -6.14497 -31.7665 25.671 -31.7665 37.5841 107.863 25.6711 107.862 -16.1832 GPRESSAVG: 3568800 -5.93383 -29.3705 27.0612 -30.7033 37.4586 106.09 21.8595 111.172 -16.5956 TIMING: 3568800 CPU: 11149.5, 0.0031117/step Wall: 11149.5, 0.0031117/step, 1.23708 hours remaining, 234.257812 MB of memory in use. ENERGY: 3568800 3995.7666 20549.9736 14449.6399 252.9574 -203354.8231 2575.2220 0.0000 0.0000 51885.1383 -109646.1252 298.1846 -161531.2635 -109277.2550 298.9024 9.8229 33.7579 760550.7089 5.0853 4.9764 PRESSURE: 3569000 -203.301 -102.431 -90.0775 -102.43 -218.262 -67.7173 -90.076 -67.7175 -105.481 GPRESSURE: 3569000 -193.75 -156.672 -198.437 -87.6598 -162.132 -12.4652 -91.3226 -108.558 -81.4776 PRESSAVG: 3569000 -17.5821 -21.0628 4.95861 -21.0629 0.794266 58.8247 4.95863 58.8247 -6.64483 GPRESSAVG: 3569000 -17.5006 -23.4876 4.6867 -22.7995 1.16711 58.9887 7.8556 57.8803 -7.03054 TIMING: 3569000 CPU: 11150.2, 0.00310025/step Wall: 11150.2, 0.00310025/step, 1.23235 hours remaining, 234.257812 MB of memory in use. ENERGY: 3569000 3993.6933 20566.0318 14399.5418 241.9288 -203695.0207 2684.8987 0.0000 0.0000 52054.3030 -109754.6234 299.1568 -161808.9264 -109396.8028 298.4581 -175.6812 -145.7867 762661.7124 -7.8109 -7.7880 PRESSURE: 3569200 119.403 5.84989 -51.2502 5.84985 -170.929 274.69 -51.2504 274.69 112.142 GPRESSURE: 3569200 113.863 134.604 -50.8003 -83.4489 -104.996 252.976 -47.7269 229.986 133.573 PRESSAVG: 3569200 36.9707 -23.8693 2.42115 -23.8693 -19.4973 31.1251 2.42111 31.1251 12.7008 GPRESSAVG: 3569200 35.7711 -24.0852 0.650649 -21.6643 -19.0142 33.4973 2.87135 30.196 13.3197 TIMING: 3569200 CPU: 11150.8, 0.00312294/step Wall: 11150.8, 0.00312294/step, 1.24119 hours remaining, 234.257812 MB of memory in use. ENERGY: 3569200 3978.0932 20518.5298 14383.7132 244.4258 -203977.1418 2927.0807 0.0000 0.0000 52051.7732 -109873.5259 299.1423 -161925.2992 -109510.3573 298.2946 20.2052 47.4802 761311.4832 10.0581 10.0255 PRESSURE: 3569400 -47.7227 5.89844 83.1334 5.89895 -33.7109 -30.4549 83.1339 -30.4543 3.91096 GPRESSURE: 3569400 -31.5353 -52.2354 116.094 113.408 49.1398 -106.651 138.072 -55.842 -0.824253 PRESSAVG: 3569400 -28.4292 -19.8255 15.9539 -19.8255 41.7436 55.2046 15.9539 55.2046 -8.31407 GPRESSAVG: 3569400 -27.7548 -20.4829 17.3523 -22.3884 41.9219 52.8873 15.8732 56.5822 -8.95759 TIMING: 3569400 CPU: 11151.4, 0.0031186/step Wall: 11151.4, 0.0031186/step, 1.2393 hours remaining, 234.257812 MB of memory in use. ENERGY: 3569400 3944.4094 20530.2962 14370.8104 233.5532 -203963.7203 2878.0899 0.0000 0.0000 52224.4350 -109782.1261 300.1345 -162006.5612 -109428.8725 298.7935 -25.8409 5.5934 760402.4872 1.6668 1.7365 PRESSURE: 3569600 73.3087 317.678 26.9231 317.677 -43.0841 -27.1591 26.9233 -27.1585 -3.66062 GPRESSURE: 3569600 4.77657 182.127 -98.6139 180.453 64.5115 25.5751 42.0139 47.2954 33.0081 PRESSAVG: 3569600 22.1858 7.8574 23.4665 7.85739 52.3637 43.266 23.4665 43.2661 -11.3546 GPRESSAVG: 3569600 23.4094 9.05945 22.0086 8.57606 51.7647 44.9399 23.2289 43.3042 -11.5066 TIMING: 3569600 CPU: 11152, 0.00310348/step Wall: 11152, 0.00310348/step, 1.23312 hours remaining, 234.257812 MB of memory in use. ENERGY: 3569600 3908.5495 20610.1638 14448.8677 230.6578 -203210.7678 2437.2574 0.0000 0.0000 51886.9399 -109688.3316 298.1950 -161575.2715 -109335.6621 299.0266 8.8547 34.0987 760349.9098 21.0649 21.2225 PRESSURE: 3569800 -225.624 72.5218 -101.255 72.5218 13.3586 201.045 -101.255 201.046 -234.655 GPRESSURE: 3569800 -251.265 116.899 -0.934782 122.57 45.4234 170.254 -28.7717 75.8168 -151.3 PRESSAVG: 3569800 0.668523 -31.5648 -1.01882 -31.5647 56.6342 -6.52138 -1.01881 -6.52133 19.354 GPRESSAVG: 3569800 -0.260602 -31.6257 0.731257 -31.229 56.9093 -7.88095 0.331552 -7.68382 19.2974 TIMING: 3569800 CPU: 11152.7, 0.00311026/step Wall: 11152.7, 0.00311026/step, 1.23564 hours remaining, 234.257812 MB of memory in use. ENERGY: 3569800 3968.9769 20589.2959 14429.2369 243.2682 -203297.6807 2620.9131 0.0000 0.0000 51853.6264 -109592.3632 298.0035 -161445.9896 -109228.5463 298.6956 -148.9736 -119.0470 763242.2100 25.5522 25.3154 PRESSURE: 3570000 101.548 -173.797 -178.844 -173.797 -73.8581 52.6585 -178.845 52.6596 -135.316 GPRESSURE: 3570000 120.889 -136.199 -242.374 -164.628 -41.9358 53.3152 -301.067 96.1777 -106.215 PRESSAVG: 3570000 -67.9509 -30.631 -47.1941 -30.631 44.9557 -0.348278 -47.1941 -0.348337 1.27208 GPRESSAVG: 3570000 -67.7412 -30.9316 -47.5877 -31.5751 44.6367 1.19613 -48.1315 -0.78282 0.85059 TIMING: 3570000 CPU: 11153.3, 0.00308937/step Wall: 11153.3, 0.00308937/step, 1.22717 hours remaining, 234.257812 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: 3570000 4028.3387 20616.5970 14452.2941 223.6572 -203605.0102 2748.8483 0.0000 0.0000 52035.4275 -109499.8474 299.0483 -161535.2749 -109138.6356 299.4808 -35.8754 -9.0872 760970.4099 -7.2410 -7.4180 PRESSURE: 3570200 68.9435 -33.6904 -92.9336 -33.6906 -49.5347 48.889 -92.9333 48.8888 -54.0215 GPRESSURE: 3570200 116.621 23.6696 -0.873159 -63.2366 30.3599 135.805 -85.267 70.9836 -87.4765 PRESSAVG: 3570200 -30.0924 -122.462 -5.74296 -122.462 40.8406 10.9152 -5.74291 10.9151 19.2188 GPRESSAVG: 3570200 -29.2855 -120.621 -6.23957 -123.697 40.9932 10.8371 -5.87525 11.7537 18.7538 TIMING: 3570200 CPU: 11153.9, 0.00310816/step Wall: 11153.9, 0.00310816/step, 1.23446 hours remaining, 234.257812 MB of memory in use. ENERGY: 3570200 3979.7432 20480.6829 14402.4424 253.3882 -203711.6303 2972.6604 0.0000 0.0000 52095.7218 -109526.9914 299.3948 -161622.7132 -109157.9113 299.3912 -11.5376 19.8347 761328.3402 9.9890 10.1538 PRESSURE: 3570400 142.04 -17.4937 1.20503 -17.4949 -114.511 93.0192 1.20492 93.0181 147.597 GPRESSURE: 3570400 181.088 64.5741 83.991 -46.9647 -42.0527 91.6106 40.759 23.3236 112.594 PRESSAVG: 3570400 -25.3996 -10.7549 -29.9728 -10.7549 34.7508 -9.63727 -29.9728 -9.63722 0.449123 GPRESSAVG: 3570400 -26.7166 -13.0648 -28.9766 -9.97788 34.6069 -9.77729 -31.3591 -9.4712 1.17304 TIMING: 3570400 CPU: 11154.5, 0.00311331/step Wall: 11154.5, 0.00311331/step, 1.23633 hours remaining, 234.257812 MB of memory in use. ENERGY: 3570400 3988.7192 20396.7889 14460.3749 239.8009 -203630.2241 2774.2659 0.0000 0.0000 52240.3457 -109529.9286 300.2260 -161770.2743 -109163.6341 298.7496 58.3751 83.8762 760130.0234 3.2668 3.0211 PRESSURE: 3570600 -37.5288 7.52785 223.084 7.52672 296.207 63.1134 223.083 63.1133 599.03 GPRESSURE: 3570600 -78.2105 -3.34679 243.775 -43.3751 318.342 48.0688 163.207 64.442 670.845 PRESSAVG: 3570600 -16.0751 -67.8555 -40.1758 -67.8555 24.997 -17.7559 -40.1758 -17.7559 5.12501 GPRESSAVG: 3570600 -16.8547 -66.0218 -41.1444 -67.3729 25.4343 -17.1642 -37.7777 -21.4264 4.85642 TIMING: 3570600 CPU: 11155.1, 0.00311583/step Wall: 11155.1, 0.00311583/step, 1.23716 hours remaining, 234.257812 MB of memory in use. ENERGY: 3570600 3975.3245 20516.2454 14448.6154 245.9779 -203657.3988 2985.0635 0.0000 0.0000 52198.3281 -109287.8440 299.9845 -161486.1721 -108931.4425 299.0099 285.9029 303.6590 761683.8279 4.6823 4.4787 PRESSURE: 3570800 238.55 -45.769 122.504 -45.7686 -25.0353 97.1223 122.504 97.1221 -63.6974 GPRESSURE: 3570800 218.838 0.914423 142.32 -106.716 -14.6168 77.7859 154.937 167.958 40.2059 PRESSAVG: 3570800 -25.1262 -12.3286 -21.2341 -12.3286 59.584 -17.7242 -21.2341 -17.7242 -2.61649 GPRESSAVG: 3570800 -22.8313 -12.4331 -21.4409 -12.5737 57.1477 -19.8635 -20.4662 -14.318 -2.51705 TIMING: 3570800 CPU: 11155.8, 0.00311012/step Wall: 11155.8, 0.00311012/step, 1.23472 hours remaining, 234.257812 MB of memory in use. ENERGY: 3570800 3954.6003 20532.7255 14414.8441 238.2654 -203174.9736 2654.0336 0.0000 0.0000 51730.7387 -109649.7660 297.2973 -161380.5048 -109303.6670 299.0890 49.9390 81.4757 763039.0648 10.6138 10.5998 PRESSURE: 3571000 41.5545 77.0912 56.3236 77.0915 229.343 142.122 56.3234 142.123 -358.194 GPRESSURE: 3571000 70.3278 -23.152 46.5423 -56.8144 186.468 130.114 -21.4523 135.735 -251.572 PRESSAVG: 3571000 23.5128 1.243 -12.7143 1.243 -25.5145 17.2766 -12.7143 17.2767 10.7621 GPRESSAVG: 3571000 23.3048 -0.389162 -12.7156 0.791098 -24.1453 17.8143 -14.2177 17.8582 9.78778 TIMING: 3571000 CPU: 11156.4, 0.0030941/step Wall: 11156.4, 0.0030941/step, 1.22818 hours remaining, 234.257812 MB of memory in use. ENERGY: 3571000 3979.3629 20403.8932 14421.1205 232.2170 -203644.0869 2715.6270 0.0000 0.0000 52012.8282 -109879.0380 298.9184 -161891.8662 -109512.8917 298.0009 -29.0987 1.7415 760597.9085 2.9201 2.9824 PRESSURE: 3571200 83.2023 -81.483 40.9318 -81.4832 -82.359 -12.0748 40.9317 -12.0745 81.9556 GPRESSURE: 3571200 150.556 -147.874 112.544 -49.47 -58.5561 -24.7042 72.726 -64.7915 66.5629 PRESSAVG: 3571200 -5.43874 -1.79615 24.9181 -1.79622 31.0087 27.9602 24.9182 27.9602 23.3035 GPRESSAVG: 3571200 -7.32026 -2.15173 25.4959 -0.205375 31.3389 28.1869 26.4961 27.025 24.0204 TIMING: 3571200 CPU: 11157, 0.00307797/step Wall: 11157, 0.00307797/step, 1.22161 hours remaining, 234.257812 MB of memory in use. ENERGY: 3571200 3925.9454 20416.4154 14439.2845 231.4082 -203722.6682 2729.9768 0.0000 0.0000 52042.3659 -109937.2720 299.0882 -161979.6379 -109578.7552 298.5582 27.5997 52.8544 760852.6661 16.2912 16.0130 PRESSURE: 3571400 -244.881 -40.3812 -77.9424 -40.3804 -204.312 127.867 -77.9421 127.868 -289.888 GPRESSURE: 3571400 -260.082 -40.9303 -77.9985 21.1519 -115.425 30.4728 -32.2864 215.697 -273.313 PRESSAVG: 3571400 -24.4769 -24.3475 -5.84509 -24.3475 -7.35263 -28.8473 -5.84511 -28.8473 5.70464 GPRESSAVG: 3571400 -23.2984 -21.83 -5.5705 -27.2889 -9.50506 -29.2877 -7.24956 -28.7023 6.64995 TIMING: 3571400 CPU: 11157.6, 0.00309671/step Wall: 11157.6, 0.00309671/step, 1.22888 hours remaining, 234.257812 MB of memory in use. ENERGY: 3571400 3987.9810 20280.1334 14472.8030 257.8570 -203287.7162 2401.1105 0.0000 0.0000 51897.3740 -109990.4573 298.2549 -161887.8313 -109632.1121 297.9096 -246.3601 -216.2734 761328.1324 -8.7083 -8.7178 PRESSURE: 3571600 326.658 -28.6707 151.34 -28.6714 247.352 37.1569 151.341 37.1575 -236.518 GPRESSURE: 3571600 327.031 -67.5583 128.717 -71.9485 156.551 103.883 168.192 -49.7074 -76.5424 PRESSAVG: 3571600 55.2199 -27.2139 1.09463 -27.2139 -19.0932 -6.46227 1.09459 -6.46225 -13.4788 GPRESSAVG: 3571600 53.2279 -27.3614 0.0393989 -25.189 -17.2587 -5.39466 3.66702 -7.21314 -12.9454 TIMING: 3571600 CPU: 11158.2, 0.00309945/step Wall: 11158.2, 0.00309945/step, 1.22979 hours remaining, 234.257812 MB of memory in use. ENERGY: 3571600 4031.9211 20354.8274 14400.6592 274.9475 -204100.2110 3015.0818 0.0000 0.0000 52084.7629 -109938.0110 299.3318 -162022.7739 -109582.1762 298.1271 112.4974 135.6798 757800.8917 7.5493 7.6746 PRESSURE: 3571800 -209.892 45.2357 289.86 45.2361 -20.7476 -7.44747 289.86 -7.44783 -66.154 GPRESSURE: 3571800 -171.175 0.94732 279.326 87.9278 20.451 92.5595 121.961 -5.24451 -63.8012 PRESSAVG: 3571800 -20.3798 -11.9201 -18.2251 -11.9201 34.048 51.1848 -18.2251 51.1848 -12.1723 GPRESSAVG: 3571800 -18.2634 -10.919 -17.1507 -11.1762 33.1409 51.002 -21.2315 49.7832 -13.4072 TIMING: 3571800 CPU: 11158.9, 0.00308667/step Wall: 11158.9, 0.00308667/step, 1.22455 hours remaining, 234.257812 MB of memory in use. ENERGY: 3571800 3977.6813 20365.6705 14464.7759 236.8848 -203583.2592 2841.2462 0.0000 0.0000 51861.3245 -109835.6761 298.0477 -161697.0006 -109468.7606 298.2358 -98.9312 -71.5085 762210.8268 0.4986 0.4901 PRESSURE: 3572000 -61.6315 229.923 -43.7455 229.923 133.441 210.035 -43.7458 210.036 469.249 GPRESSURE: 3572000 -45.559 211.243 -0.567281 68.7986 205.634 190.56 -42.6173 196.688 456.369 PRESSAVG: 3572000 -42.7143 7.19342 55.2975 7.19344 25.6803 26.8612 55.2975 26.8612 -1.12452 GPRESSAVG: 3572000 -42.5508 7.61425 54.6634 4.85586 26.2856 26.6693 54.8187 29.5412 -1.7698 TIMING: 3572000 CPU: 11159.5, 0.00308148/step Wall: 11159.5, 0.00308148/step, 1.22232 hours remaining, 234.257812 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: 3572000 3978.5602 20528.7008 14379.8875 254.2313 -203915.0059 3028.5166 0.0000 0.0000 51716.5761 -110028.5335 297.2159 -161745.1096 -109679.8057 298.4811 180.3528 205.4814 761228.5330 -6.0528 -6.0117 PRESSURE: 3572200 -107.617 -110.363 47.2385 -110.363 174.073 -231.159 47.2395 -231.158 201.869 GPRESSURE: 3572200 -71.5094 -79.6991 27.1992 -110.696 220.048 -138.706 69.2594 -127.376 192.833 PRESSAVG: 3572200 -81.6436 -9.53086 -0.898663 -9.53095 37.7916 14.1183 -0.898682 14.1183 8.14433 GPRESSAVG: 3572200 -82.8231 -11.7729 -0.326028 -7.56056 37.5213 14.526 2.1719 13.2548 9.0447 TIMING: 3572200 CPU: 11160.1, 0.00309558/step Wall: 11160.1, 0.00309558/step, 1.22774 hours remaining, 234.257812 MB of memory in use. ENERGY: 3572200 3958.1737 20533.1253 14447.1848 249.6682 -203326.7162 2502.5848 0.0000 0.0000 51931.8998 -109704.0798 298.4533 -161635.9796 -109349.4303 297.9148 89.4417 113.7906 763552.6251 -11.9026 -12.0857 LDB: ============= START OF LOAD BALANCING ============== 11172.6 LDB: ============== END OF LOAD BALANCING =============== 11172.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11172.6 LDB: ============= START OF LOAD BALANCING ============== 11172.9 LDB: Largest compute 7077 load 0.029172 is 14.9% of average load 0.195235 LDB: Average compute 0.004366 is 2.2% of average load 0.195235 LDB: TIME 11172.9 LOAD: AVG 0.195235 MAX 0.212134 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.746 MB LDB: TIME 11172.9 LOAD: AVG 0.195235 MAX 0.212134 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.746 MB LDB: TIME 11172.9 LOAD: AVG 0.195235 MAX 0.212134 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.746 MB LDB: ============== END OF LOAD BALANCING =============== 11172.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11172.9 PRESSURE: 3572400 30.3487 6.14414 -4.17665 6.14391 -107.072 51.5198 -4.17773 51.5203 -72.4103 GPRESSURE: 3572400 22.0629 63.4218 -1.96317 80.1287 26.6447 -14.1168 57.9165 -13.4775 -135.859 PRESSAVG: 3572400 -83.3449 33.704 75.4123 33.704 50.1618 -37.2027 75.4123 -37.2027 -4.20583 GPRESSAVG: 3572400 -83.5645 37.0084 75.5269 30.4302 50.0382 -38.8619 74.7951 -36.1132 -4.26277 TIMING: 3572400 CPU: 11160.7, 0.00316789/step Wall: 11160.7, 0.00316789/step, 1.25624 hours remaining, 233.542969 MB of memory in use. ENERGY: 3572400 4028.3079 20454.8984 14410.5543 244.2349 -202815.9719 2186.5381 0.0000 0.0000 51641.5084 -109849.9300 296.7845 -161491.4384 -109492.2226 298.4508 -49.7113 -29.0505 762954.2171 -12.4630 -12.5963 PRESSURE: 3572600 23.6701 233.41 45.2243 233.41 -386.776 63.7665 45.2245 63.7677 -223.308 GPRESSURE: 3572600 -50.168 176.543 26.7279 292.402 -273.725 52.1101 -13.9709 98.4062 -171.689 PRESSAVG: 3572600 10.2855 -42.2769 0.61999 -42.2769 31.5846 15.5158 0.61993 15.5158 -26.1741 GPRESSAVG: 3572600 9.93063 -44.1749 2.09844 -40.2079 32.2087 16.5829 -1.29889 14.7911 -25.8847 TIMING: 3572600 CPU: 11161.3, 0.00310078/step Wall: 11161.3, 0.00310078/step, 1.22946 hours remaining, 233.542969 MB of memory in use. ENERGY: 3572600 3981.9278 20377.7285 14408.9236 236.9381 -203245.9754 2503.4846 0.0000 0.0000 52016.6684 -109720.3044 298.9405 -161736.9728 -109346.7693 298.4368 -195.4712 -165.1939 762178.0104 5.2320 5.4182 PRESSURE: 3572800 69.604 141.323 33.8228 141.324 243.288 -21.1112 33.8225 -21.112 51.7703 GPRESSURE: 3572800 56.2884 72.4556 -15.216 64.218 292.043 10.9241 7.92352 32.6257 116.238 PRESSAVG: 3572800 38.0036 -6.07943 -5.30952 -6.07945 -21.7895 38.1068 -5.30957 38.1068 13.6635 GPRESSAVG: 3572800 37.9106 -6.17479 -7.91195 -6.94599 -20.8652 37.325 -6.02853 38.7273 13.0377 TIMING: 3572800 CPU: 11162, 0.00309975/step Wall: 11162, 0.00309975/step, 1.22888 hours remaining, 233.542969 MB of memory in use. ENERGY: 3572800 3925.3930 20337.2302 14412.6710 229.6533 -203602.2339 2747.0105 0.0000 0.0000 51891.3520 -110058.9240 298.2203 -161950.2759 -109699.4429 297.9758 121.5540 154.8565 759627.0562 9.9592 10.0277 PRESSURE: 3573000 -73.547 19.3263 -126.917 19.3275 -149.554 257.586 -126.916 257.587 -209.391 GPRESSURE: 3573000 24.7234 100.065 -33.9462 88.3027 -137.8 284.882 -225.365 104.47 -250.905 PRESSAVG: 3573000 1.36889 37.8457 -27.9892 37.8457 12.6518 19.9257 -27.9892 19.9258 -25.8221 GPRESSAVG: 3573000 2.46698 37.8304 -25.9492 39.8476 10.2108 18.2663 -28.8604 20.022 -24.94 TIMING: 3573000 CPU: 11162.6, 0.00310762/step Wall: 11162.6, 0.00310762/step, 1.23183 hours remaining, 233.542969 MB of memory in use. ENERGY: 3573000 4025.0629 20337.8121 14387.7240 241.3651 -203140.2184 2487.2957 0.0000 0.0000 51959.2131 -109701.7455 298.6103 -161660.9586 -109332.4884 298.2951 -144.1641 -121.3271 763085.3240 -3.9338 -4.0874 PRESSURE: 3573200 -169.041 171.364 135.439 171.364 -220.988 173.692 135.44 173.692 -509.789 GPRESSURE: 3573200 -196.501 108.347 141.639 242.683 -101.47 208.289 67.6199 190.383 -517.679 PRESSAVG: 3573200 -22.3624 44.149 20.8468 44.1489 -16.5119 -19.8693 20.8468 -19.8693 12.5764 GPRESSAVG: 3573200 -20.9814 43.1338 18.7773 42.9296 -16.0872 -17.8995 24.8936 -20.0802 11.5352 TIMING: 3573200 CPU: 11163.2, 0.00313082/step Wall: 11163.2, 0.00313082/step, 1.24085 hours remaining, 233.542969 MB of memory in use. ENERGY: 3573200 4052.5429 20583.8168 14375.6874 258.4024 -202797.5324 2142.6908 0.0000 0.0000 51949.9355 -109434.4568 298.5570 -161384.3923 -109077.2814 299.2034 -299.9396 -271.8835 762423.1369 -8.7659 -8.5112 PRESSURE: 3573400 75.7468 165.652 159.193 165.652 -69.7889 111.692 159.193 111.692 164.8 GPRESSURE: 3573400 84.4539 45.577 51.4414 208.905 -23.9136 131.188 129.059 126.212 194.374 PRESSAVG: 3573400 18.8482 23.5733 -48.6453 23.5733 43.2822 2.68633 -48.6453 2.68633 2.01307 GPRESSAVG: 3573400 18.2424 22.2742 -46.8969 25.2582 43.6931 3.44597 -51.3256 0.379758 2.19496 TIMING: 3573400 CPU: 11163.8, 0.00311215/step Wall: 11163.8, 0.00311215/step, 1.23328 hours remaining, 233.542969 MB of memory in use. ENERGY: 3573400 3899.1989 20521.5989 14496.1987 237.3555 -203525.8289 2620.3384 0.0000 0.0000 52179.9886 -109571.1498 299.8791 -161751.1384 -109208.0646 299.0909 56.9194 84.9716 761170.4334 21.3811 21.3768 PRESSURE: 3573600 58.3927 -109.418 9.54955 -109.419 -11.3776 -90.345 9.54991 -90.3448 125.146 GPRESSURE: 3573600 89.2339 -21.96 -25.5563 -175.288 15.6414 -212.628 114.77 -8.76396 151.529 PRESSAVG: 3573600 12.9749 21.511 -6.2423 21.5109 -5.19096 -9.96521 -6.24232 -9.9652 13.1122 GPRESSAVG: 3573600 13.6612 23.8285 -8.39661 20.2013 -5.10683 -9.4154 -5.4144 -6.72518 11.5089 TIMING: 3573600 CPU: 11164.5, 0.00312916/step Wall: 11164.5, 0.00312915/step, 1.23984 hours remaining, 233.542969 MB of memory in use. ENERGY: 3573600 3965.2429 20498.1378 14498.0781 242.5481 -203802.7453 2968.5745 0.0000 0.0000 51906.9225 -109723.2414 298.3098 -161630.1640 -109371.4988 298.7141 57.3871 85.4680 761179.9995 6.9654 6.6877 PRESSURE: 3573800 -0.639947 196.94 14.0305 196.94 7.21615 9.99011 14.0297 9.99039 300.327 GPRESSURE: 3573800 -62.4907 98.2948 -49.4605 236.514 96.8886 -25.3452 19.1781 5.76844 364.38 PRESSAVG: 3573800 -4.9995 45.0123 -39.6377 45.0124 21.2852 32.1824 -39.6377 32.1825 -25.2496 GPRESSAVG: 3573800 -5.81397 44.612 -39.6628 45.5753 21.0298 31.233 -41.6952 29.1473 -23.5708 TIMING: 3573800 CPU: 11165.1, 0.00313868/step Wall: 11165.1, 0.00313868/step, 1.24344 hours remaining, 233.542969 MB of memory in use. ENERGY: 3573800 3946.5057 20588.3248 14323.3551 228.4354 -203444.8367 2777.2492 0.0000 0.0000 52141.2633 -109439.7032 299.6566 -161580.9665 -109073.9638 298.7052 102.3012 132.9259 761839.8381 -2.9880 -2.7850 PRESSURE: 3574000 -125.837 -19.052 -63.9166 -19.0517 265.2 209.525 -63.9171 209.525 -269.446 GPRESSURE: 3574000 -79.4469 108.542 -37.4555 -54.557 298.288 199.104 -23.5465 221.715 -250.239 PRESSAVG: 3574000 -32.3929 51.1464 17.2733 51.1464 24.0737 32.7816 17.2733 32.7817 15.9967 GPRESSAVG: 3574000 -32.1726 50.9963 17.9401 51.9721 24.2111 34.3494 19.278 33.2647 15.6032 TIMING: 3574000 CPU: 11165.7, 0.00308122/step Wall: 11165.7, 0.00308122/step, 1.2205 hours remaining, 233.542969 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: 3574000 3981.1866 20486.4129 14388.9785 250.6061 -203276.1302 2791.8927 0.0000 0.0000 52016.9056 -109360.1479 298.9419 -161377.0535 -109001.2675 298.9447 -43.3611 -10.4662 761190.3957 2.5592 2.5472 PRESSURE: 3574200 152.292 97.4655 283.103 97.4654 -178.613 -48.2005 283.103 -48.2005 188.67 GPRESSURE: 3574200 200.553 134.037 331.744 49.5878 -124.871 -45.262 243.442 40.348 167.361 PRESSAVG: 3574200 6.99498 41.7743 -62.8144 41.7743 -8.71977 15.4577 -62.8144 15.4577 -8.05231 GPRESSAVG: 3574200 7.2252 43.1418 -63.6067 42.1824 -10.2701 13.0026 -64.2875 16.6527 -6.88382 TIMING: 3574200 CPU: 11166.3, 0.00309305/step Wall: 11166.3, 0.00309305/step, 1.22502 hours remaining, 233.542969 MB of memory in use. ENERGY: 3574200 3985.4954 20559.6274 14380.0908 228.3762 -202966.4844 2614.4874 0.0000 0.0000 51990.2533 -109208.1540 298.7887 -161198.4073 -108855.8996 299.7520 54.1164 81.0147 762637.5667 -3.2590 -3.3096 PRESSURE: 3574400 -95.2152 -47.5586 -78.5861 -47.5584 91.4162 98.7261 -78.5851 98.726 254.711 GPRESSURE: 3574400 31.0245 -71.1512 -43.8559 -109.257 50.2876 74.6079 -117.407 148.782 238.35 PRESSAVG: 3574400 -17.0384 5.95596 22.4372 5.95594 68.6022 29.2018 22.4371 29.2018 -0.170936 GPRESSAVG: 3574400 -17.2388 5.30877 24.186 3.97895 69.6432 29.4595 23.2922 28.439 -1.04488 TIMING: 3574400 CPU: 11166.9, 0.00311983/step Wall: 11166.9, 0.00311983/step, 1.23545 hours remaining, 233.542969 MB of memory in use. ENERGY: 3574400 3957.7773 20481.8585 14407.6839 280.2071 -202982.6976 2495.4839 0.0000 0.0000 52171.4316 -109188.2552 299.8299 -161359.6868 -108814.6907 299.3258 83.6375 106.5539 762910.5032 17.1310 17.1198 PRESSURE: 3574600 47.3166 146.243 -84.6811 146.243 -84.7793 -176.464 -84.6815 -176.464 184.868 GPRESSURE: 3574600 159.14 3.40183 -78.601 194.477 -90.2353 -125.538 -92.3563 -134.174 169.916 PRESSAVG: 3574600 30.5188 -17.6561 36.0281 -17.656 -61.138 53.7493 36.0281 53.7494 4.38824 GPRESSAVG: 3574600 29.9071 -18.3883 35.8637 -16.2512 -60.7635 54.4221 37.6576 50.7911 4.29852 TIMING: 3574600 CPU: 11167.6, 0.00309426/step Wall: 11167.6, 0.00309426/step, 1.22516 hours remaining, 233.542969 MB of memory in use. ENERGY: 3574600 3961.5819 20522.4973 14432.6703 241.2689 -203390.2470 2912.8750 0.0000 0.0000 52260.9787 -109058.3750 300.3446 -161319.3537 -108699.6612 299.4518 49.1350 79.6068 763583.4621 -8.7437 -8.8526 PRESSURE: 3574800 120.507 50.0828 -37.8522 50.0827 -306.898 99.4669 -37.852 99.4671 -462.295 GPRESSURE: 3574800 116.877 19.9929 -62.1461 -66.5312 -226.678 79.5878 -14.7011 170.087 -456.353 PRESSAVG: 3574800 7.7725 -25.8518 -24.8514 -25.8518 -37.6067 2.79545 -24.8514 2.79533 5.97224 GPRESSAVG: 3574800 7.61968 -26.7951 -25.1934 -26.8931 -37.4474 1.35079 -26.8588 6.09685 5.65765 TIMING: 3574800 CPU: 11168.2, 0.00310383/step Wall: 11168.2, 0.00310383/step, 1.22877 hours remaining, 233.542969 MB of memory in use. ENERGY: 3574800 3934.4375 20442.4125 14385.9864 236.2659 -202560.4592 2413.4958 0.0000 0.0000 52050.8054 -109097.0558 299.1367 -161147.8612 -108734.8638 299.8294 -216.2288 -188.7178 764017.6459 -7.9540 -8.0567 PRESSURE: 3575000 -150.291 -238.466 29.5827 -238.466 87.146 185.533 29.5829 185.533 210.476 GPRESSURE: 3575000 -205.417 -155.479 15.8012 -222.667 205.274 122.134 81.942 113.821 226.412 PRESSAVG: 3575000 68.3239 -67.4986 -68.9707 -67.4985 -23.6164 54.3185 -68.9707 54.3185 -0.359296 GPRESSAVG: 3575000 67.8584 -67.4945 -70.5374 -66.9377 -23.8338 55.3709 -66.1898 54.1215 -0.561598 TIMING: 3575000 CPU: 11168.8, 0.00308591/step Wall: 11168.8, 0.00308591/step, 1.22151 hours remaining, 233.542969 MB of memory in use. ENERGY: 3575000 4027.9240 20610.7865 14465.9036 238.1051 -202932.2010 2624.5718 0.0000 0.0000 51949.3308 -109015.5791 298.5535 -160964.9099 -108656.3249 299.2562 49.1103 75.4228 762058.2282 14.7827 14.4876 PRESSURE: 3575200 287.09 -107.435 -85.5381 -107.435 -183.829 -137.493 -85.5379 -137.493 258.127 GPRESSURE: 3575200 332.379 -112.679 -62.3789 -51.2579 -124.48 -179.699 -124.559 -38.4945 247.556 PRESSAVG: 3575200 -47.4332 -22.2069 -23.3721 -22.2069 6.33691 28.7423 -23.3722 28.7423 -23.8635 GPRESSAVG: 3575200 -46.7293 -19.9502 -22.517 -23.9073 5.49401 28.8835 -25.3961 29.0352 -23.6174 TIMING: 3575200 CPU: 11169.4, 0.0031029/step Wall: 11169.4, 0.0031029/step, 1.22806 hours remaining, 233.542969 MB of memory in use. ENERGY: 3575200 3925.7088 20610.4044 14338.4446 247.3901 -202631.0244 2148.0600 0.0000 0.0000 52392.5588 -108968.4577 301.1008 -161361.0165 -108609.4250 299.9019 120.4627 151.8183 762516.4846 -21.6533 -21.6176 PRESSURE: 3575400 -402.449 -18.1391 -209.141 -18.1394 -488.18 -106.489 -209.14 -106.49 -155.774 GPRESSURE: 3575400 -321.366 -145.148 -203.57 36.0649 -445.525 7.75664 -233.104 -221.029 -190.623 PRESSAVG: 3575400 54.8711 -36.6785 -50.3944 -36.6785 -47.0136 -29.7938 -50.3944 -29.7938 2.10426 GPRESSAVG: 3575400 54.2395 -37.7382 -51.0388 -33.049 -46.2322 -30.3005 -49.4847 -28.994 2.27189 TIMING: 3575400 CPU: 11170, 0.00311592/step Wall: 11170, 0.00311592/step, 1.23304 hours remaining, 233.542969 MB of memory in use. ENERGY: 3575400 4034.6702 20449.7947 14399.4781 235.6252 -203404.2455 2826.8206 0.0000 0.0000 52364.4062 -109093.4502 300.9390 -161457.8565 -108730.8099 299.8475 -348.8010 -319.1712 764542.7474 3.3206 3.4264 PRESSURE: 3575600 -151.325 95.2988 108.635 95.2995 -467.882 122.159 108.635 122.159 -88.4863 GPRESSURE: 3575600 -19.5413 19.6414 71.7933 37.8735 -444.799 48.9175 129.309 91.2734 -153.144 PRESSAVG: 3575600 -10.3414 -8.77044 -3.5023 -8.77048 -21.0821 33.8375 -3.50229 33.8375 2.21484 GPRESSAVG: 3575600 -10.2889 -9.46133 -3.2195 -9.86017 -22.272 33.0321 -3.63581 33.2096 2.7531 TIMING: 3575600 CPU: 11170.7, 0.00308185/step Wall: 11170.7, 0.00308185/step, 1.21938 hours remaining, 233.542969 MB of memory in use. ENERGY: 3575600 4060.8189 20564.6281 14465.9495 250.5709 -202866.0545 2471.4189 0.0000 0.0000 52290.3048 -108762.3635 300.5131 -161052.6683 -108397.6821 300.0595 -235.8980 -205.8283 763086.4693 -9.7362 -9.9359 PRESSURE: 3575800 268.889 -40.9261 79.6532 -40.9254 298.769 -7.45083 79.6539 -7.45057 152.679 GPRESSURE: 3575800 281.384 -38.8312 161.15 12.2335 344.969 -11.0372 -70.9849 -58.8202 173.444 PRESSAVG: 3575800 14.2406 -70.5357 2.34832 -70.5357 -3.92433 -6.81934 2.34837 -6.81933 14.8736 GPRESSAVG: 3575800 14.2496 -69.2202 2.36434 -70.5732 -3.44873 -6.32416 0.664115 -8.26331 14.0536 TIMING: 3575800 CPU: 11171.3, 0.0031013/step Wall: 11171.3, 0.0031013/step, 1.22691 hours remaining, 233.542969 MB of memory in use. ENERGY: 3575800 3985.6920 20506.5174 14425.2121 236.3488 -203333.0435 2930.2623 0.0000 0.0000 52614.0685 -108634.9423 302.3738 -161249.0108 -108262.1986 300.9287 240.1122 266.5991 760394.3437 8.3966 8.2848 PRESSURE: 3576000 323.737 61.8511 110.211 61.8511 -154.712 -117.213 110.211 -117.212 465.469 GPRESSURE: 3576000 280.91 -63.5602 188.116 54.0367 -106.579 -38.9963 -24.2143 -231.145 537.689 PRESSAVG: 3576000 -53.9023 -5.11854 -11.473 -5.11853 20.5195 -23.5739 -11.473 -23.5739 17.9408 GPRESSAVG: 3576000 -53.9873 -6.7433 -11.2728 -5.4181 20.6598 -22.9844 -10.2436 -22.219 18.1568 TIMING: 3576000 CPU: 11171.9, 0.00313088/step Wall: 11171.9, 0.00313088/step, 1.23844 hours remaining, 233.542969 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: 3576000 4005.9236 20510.3491 14419.6391 256.3571 -202962.6910 2636.4220 0.0000 0.0000 52414.5677 -108719.4324 301.2272 -161134.0001 -108350.6324 301.3547 211.4982 237.3401 762104.8595 -5.1474 -5.0569 PRESSURE: 3576200 -385.612 -33.9052 167.625 -33.906 -208.466 124.998 167.627 124.997 -47.7158 GPRESSURE: 3576200 -304.869 -27.3098 84.9234 -72.2159 -173.408 106.588 106.159 22.3469 -86.4883 PRESSAVG: 3576200 -1.48313 23.6139 17.3316 23.614 -3.20616 2.6652 17.3316 2.66521 0.714911 GPRESSAVG: 3576200 -0.278913 24.7363 16.1658 23.8278 -4.44399 1.23923 19.6136 3.19406 0.751758 TIMING: 3576200 CPU: 11172.5, 0.00311182/step Wall: 11172.5, 0.00311182/step, 1.23073 hours remaining, 233.542969 MB of memory in use. ENERGY: 3576200 3938.0535 20700.8491 14425.0012 248.0672 -202502.7029 2289.1046 0.0000 0.0000 52323.0968 -108578.5305 300.7016 -160901.6273 -108211.6749 301.0716 -213.9310 -188.2549 763788.3263 -1.3248 -1.3237 LDB: ============= START OF LOAD BALANCING ============== 11185 LDB: ============== END OF LOAD BALANCING =============== 11185 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11185 LDB: ============= START OF LOAD BALANCING ============== 11185.3 LDB: Largest compute 7026 load 0.028096 is 14.4% of average load 0.195238 LDB: Average compute 0.004371 is 2.2% of average load 0.195238 LDB: TIME 11185.3 LOAD: AVG 0.195238 MAX 0.213304 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.543 MB LDB: TIME 11185.3 LOAD: AVG 0.195238 MAX 0.213304 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.543 MB LDB: TIME 11185.3 LOAD: AVG 0.195238 MAX 0.213304 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.543 MB LDB: ============== END OF LOAD BALANCING =============== 11185.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11185.3 PRESSURE: 3576400 -141.266 -37.4695 5.21642 -37.471 24.2405 -7.66878 5.21639 -7.66812 -472.314 GPRESSURE: 3576400 -145.106 -43.8931 0.225313 -121.866 -3.83997 -69.3953 -18.6319 -76.2222 -371.721 PRESSAVG: 3576400 36.5456 15.0667 -23.1495 15.0667 -34.9139 22.1987 -23.1495 22.1987 2.19295 GPRESSAVG: 3576400 34.9987 13.8597 -21.3499 13.6266 -33.3087 23.5399 -24.8089 20.1915 2.72951 TIMING: 3576400 CPU: 11173.2, 0.00318481/step Wall: 11173.2, 0.00318481/step, 1.25942 hours remaining, 234.257812 MB of memory in use. ENERGY: 3576400 3907.6489 20693.6322 14411.4135 246.7050 -202381.3151 2432.6643 0.0000 0.0000 52370.7827 -108318.4685 300.9756 -160689.2512 -107959.2017 302.0773 -196.4465 -173.5557 763266.6624 1.2749 1.4732 PRESSURE: 3576600 9.13704 26.0842 -11.6453 26.0835 316.52 -172.154 -11.646 -172.154 -96.6351 GPRESSURE: 3576600 7.04958 -71.3648 -24.4969 -120.125 377.149 -164.517 -118.16 -108.532 -57.4435 PRESSAVG: 3576600 0.239129 11.2889 -40.4443 11.2889 33.8563 -30.5798 -40.4443 -30.5798 11.054 GPRESSAVG: 3576600 0.25925 13.6355 -41.1292 9.97806 33.8347 -30.9463 -40.3667 -29.9211 10.8152 TIMING: 3576600 CPU: 11173.8, 0.00309907/step Wall: 11173.8, 0.00309907/step, 1.22534 hours remaining, 234.257812 MB of memory in use. ENERGY: 3576600 3983.8389 20605.0704 14482.7583 261.5742 -203133.7804 2655.2264 0.0000 0.0000 52542.1103 -108603.2020 301.9602 -161145.3123 -108234.1637 301.1479 76.3406 108.9184 763121.3193 15.0498 14.9697 PRESSURE: 3576800 105.576 120.425 -65.3481 120.424 -49.2597 -206.272 -65.3487 -206.274 316.764 GPRESSURE: 3576800 207.925 135.6 -39.1353 -82.4923 0.522682 -163.131 -6.71421 -193.659 234.103 PRESSAVG: 3576800 -44.472 -43.7282 -2.34015 -43.7283 57.2733 -16.5931 -2.34021 -16.5931 5.86423 GPRESSAVG: 3576800 -43.8685 -45.3116 -2.45282 -42.691 58.0436 -15.3612 -3.61502 -16.967 4.74733 TIMING: 3576800 CPU: 11174.4, 0.00310619/step Wall: 11174.4, 0.00310619/step, 1.22798 hours remaining, 234.257812 MB of memory in use. ENERGY: 3576800 3966.3188 20634.0251 14368.5524 238.7656 -203260.2707 2853.7661 0.0000 0.0000 52285.8241 -108913.0186 300.4873 -161198.8427 -108550.3074 300.7190 124.3600 147.5169 763615.3454 6.2218 6.3075 PRESSURE: 3577000 -376.702 -65.876 104.38 -65.8759 173.178 -12.4994 104.38 -12.4997 -229.714 GPRESSURE: 3577000 -320.226 -58.6396 26.4448 -19.7468 89.8303 84.0863 62.2153 -43.5737 -137.348 PRESSAVG: 3577000 -20.8776 -24.9528 -73.23 -24.9528 6.17778 3.12934 -73.23 3.1294 -2.91987 GPRESSAVG: 3577000 -20.9561 -26.3425 -73.2769 -23.3045 4.01542 2.59383 -73.3303 5.80986 -1.69976 TIMING: 3577000 CPU: 11175, 0.00311037/step Wall: 11175, 0.00311037/step, 1.22946 hours remaining, 234.257812 MB of memory in use. ENERGY: 3577000 4006.4259 20594.9135 14482.6042 236.5653 -203193.6302 2631.4307 0.0000 0.0000 52053.6437 -109188.0470 299.1530 -161241.6907 -108823.2369 300.0867 -144.4126 -122.5812 762129.2366 -5.8732 -6.2135 PRESSURE: 3577200 -277.479 -3.77617 77.4016 -3.77721 -233.897 66.8754 77.4024 66.8752 -43.8569 GPRESSURE: 3577200 -221.015 -20.3366 -8.79661 0.353935 -149.173 55.1236 64.0467 33.8348 -103.046 PRESSAVG: 3577200 -64.3769 22.8407 38.2113 22.8406 8.66175 -8.39305 38.2114 -8.39312 -4.97204 GPRESSAVG: 3577200 -64.4811 25.1039 38.0841 20.3211 9.75981 -11.0358 37.2136 -8.02083 -5.67612 TIMING: 3577200 CPU: 11175.7, 0.00311575/step Wall: 11175.7, 0.00311575/step, 1.23141 hours remaining, 234.257812 MB of memory in use. ENERGY: 3577200 3937.2023 20559.4202 14473.4608 237.6656 -203000.2748 2359.6257 0.0000 0.0000 52197.2216 -109235.6785 299.9781 -161432.9001 -108874.5204 299.5348 -185.0779 -157.7447 761926.2536 -20.2291 -20.1325 PRESSURE: 3577400 134.062 -63.8348 90.9337 -63.835 96.8929 -103.322 90.9336 -103.321 218.02 GPRESSURE: 3577400 154.905 -122.799 43.9927 -143.204 230.279 -106.134 31.2574 70.7807 189.276 PRESSAVG: 3577400 -13.1432 -49.24 -22.4471 -49.24 -7.05042 -6.47311 -22.4471 -6.47306 -11.6279 GPRESSAVG: 3577400 -12.9491 -50.5803 -22.1683 -49.732 -6.76271 -5.35419 -20.4954 -7.92963 -11.452 TIMING: 3577400 CPU: 11176.3, 0.00311192/step Wall: 11176.3, 0.00311192/step, 1.22973 hours remaining, 234.257812 MB of memory in use. ENERGY: 3577400 4000.4676 20474.5770 14433.1154 236.6309 -203371.5660 2785.6250 0.0000 0.0000 51885.1204 -109556.0296 298.1845 -161441.1500 -109191.8877 299.0100 149.6583 191.4869 761962.1184 -10.6072 -10.3879 PRESSURE: 3577600 -185.195 -110.693 61.7401 -110.694 -115.919 8.43409 61.7409 8.43549 -223.127 GPRESSURE: 3577600 -102.246 22.2293 31.2284 -17.4534 -107.68 10.8642 29.2102 -91.5484 -217.713 PRESSAVG: 3577600 0.442236 -17.1659 -42.4538 -17.1659 -5.8962 7.71273 -42.4537 7.7127 22.5424 GPRESSAVG: 3577600 -0.27702 -16.1697 -43.6497 -13.8915 -5.9313 8.19012 -42.55 7.71397 23.3135 TIMING: 3577600 CPU: 11176.9, 0.00310458/step Wall: 11176.9, 0.00310458/step, 1.22665 hours remaining, 234.257812 MB of memory in use. ENERGY: 3577600 4052.6946 20523.0408 14429.5565 224.1285 -202830.9134 2347.7737 0.0000 0.0000 51935.8325 -109317.8868 298.4759 -161253.7192 -108963.5651 299.0160 -174.7471 -142.5463 761614.6572 5.6961 5.7017 PRESSURE: 3577800 283.003 -367.375 -16.5429 -367.375 80.6765 29.829 -16.5432 29.8292 200.236 GPRESSURE: 3577800 215.99 -211.855 -28.9405 -326.647 200.587 31.7966 -23.0533 -81.5209 243.505 PRESSAVG: 3577800 -15.1226 -22.1368 -26.2924 -22.1368 26.2186 -11.6521 -26.2925 -11.652 5.66423 GPRESSAVG: 3577800 -15.0928 -22.2963 -25.3459 -24.0108 26.9122 -11.1451 -23.8494 -10.3255 5.07535 TIMING: 3577800 CPU: 11177.5, 0.00311728/step Wall: 11177.5, 0.00311728/step, 1.2315 hours remaining, 234.257812 MB of memory in use. ENERGY: 3577800 3969.4617 20611.5740 14487.7906 253.6596 -203623.1242 2693.7573 0.0000 0.0000 52028.5152 -109578.3658 299.0086 -161606.8810 -109234.1068 299.4288 187.9716 220.0273 759125.3823 5.5867 5.6316 PRESSURE: 3578000 119.14 242.319 -275.74 242.32 182.597 -164.473 -275.741 -164.473 -91.1134 GPRESSURE: 3578000 145.173 176.924 -256.121 190.135 248.471 -188.711 -232.216 -97.6344 -97.4772 PRESSAVG: 3578000 19.9726 -16.5332 -19.947 -16.5332 35.9222 14.9716 -19.947 14.9716 -10.4799 GPRESSAVG: 3578000 20.6831 -17.5375 -19.8032 -13.806 34.5256 13.8337 -22.4847 13.0631 -9.90401 TIMING: 3578000 CPU: 11178.1, 0.00311113/step Wall: 11178.1, 0.00311113/step, 1.2289 hours remaining, 234.257812 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: 3578000 4047.7572 20401.1048 14421.6644 248.1976 -202650.3205 2251.8153 0.0000 0.0000 51911.6045 -109368.1768 298.3367 -161279.7813 -108996.1757 299.2732 70.2078 98.7222 760356.0934 15.1383 15.1016 PRESSURE: 3578200 109.904 82.4811 144.282 82.4815 -58.8638 15.4362 144.282 15.4365 307.663 GPRESSURE: 3578200 201.988 164.826 86.8941 130.28 -75.3155 -29.5496 123.06 24.4856 305.155 PRESSAVG: 3578200 63.9442 36.196 -19.835 36.196 -34.9412 -2.55422 -19.8351 -2.55427 -10.7615 GPRESSAVG: 3578200 63.5615 35.4021 -18.8648 33.862 -33.1266 -2.48916 -20.3985 -1.53176 -12.4738 TIMING: 3578200 CPU: 11178.8, 0.00312267/step Wall: 11178.8, 0.00312267/step, 1.23328 hours remaining, 234.257812 MB of memory in use. ENERGY: 3578200 3982.4682 20574.6112 14455.0899 245.2554 -203090.2280 2620.9067 0.0000 0.0000 51906.1523 -109305.7443 298.3054 -161211.8966 -108949.1548 299.4471 119.5677 143.9425 762472.5405 6.0805 5.9870 PRESSURE: 3578400 124.163 -150.538 74.2202 -150.538 31.0544 -78.7236 74.2197 -78.7231 33.3953 GPRESSURE: 3578400 172.449 -110.02 78.0803 -105.313 12.3941 -91.7039 2.68466 15.4046 79.893 PRESSAVG: 3578400 8.37733 -19.3094 -57.9299 -19.3093 19.9038 62.6353 -57.93 62.6354 3.74463 GPRESSAVG: 3578400 8.56113 -16.7825 -58.8815 -20.1583 18.972 63.3929 -58.5407 63.5842 4.58296 TIMING: 3578400 CPU: 11179.4, 0.00309689/step Wall: 11179.4, 0.00309689/step, 1.22293 hours remaining, 234.257812 MB of memory in use. ENERGY: 3578400 3995.3890 20662.4519 14426.2959 235.5186 -203306.4876 2750.2604 0.0000 0.0000 51554.3535 -109682.2184 296.2836 -161236.5719 -109324.3666 298.8191 62.8710 88.2455 761744.1542 10.6752 10.7054 PRESSURE: 3578600 -233.007 29.2127 2.53148 29.2128 -291.636 69.0183 2.53102 69.0191 -449.917 GPRESSURE: 3578600 -206.586 29.11 31.7619 83.2798 -160.256 76.9391 -45.697 71.0017 -513.849 PRESSAVG: 3578600 -16.4035 -26.5422 -23.3516 -26.5422 41.5402 38.3404 -23.3517 38.3405 21.1771 GPRESSAVG: 3578600 -15.7919 -26.1567 -22.1908 -25.8602 42.0836 38.9451 -22.1314 38.6662 20.1998 TIMING: 3578600 CPU: 11180, 0.00311473/step Wall: 11180, 0.00311473/step, 1.2298 hours remaining, 234.257812 MB of memory in use. ENERGY: 3578600 4024.9630 20366.3370 14414.4741 253.0815 -203090.4147 2531.8061 0.0000 0.0000 51910.7543 -109588.9986 298.3318 -161499.7529 -109224.2719 298.4698 -324.8535 -293.5637 763007.7718 15.4379 15.4972 PRESSURE: 3578800 110.02 58.2864 112.069 58.2861 295.012 257.191 112.069 257.19 120.352 GPRESSURE: 3578800 145.093 117.66 50.1741 153.653 246.128 250.324 191.763 109.698 202.242 PRESSAVG: 3578800 12.0319 -7.10371 30.6785 -7.10368 51.0435 61.6264 30.6785 61.6264 5.6772 GPRESSAVG: 3578800 10.7737 -8.71945 28.896 -7.22682 50.8775 59.76 31.6713 58.6614 6.97291 TIMING: 3578800 CPU: 11180.6, 0.00311284/step Wall: 11180.6, 0.00311284/step, 1.22888 hours remaining, 234.257812 MB of memory in use. ENERGY: 3578800 3880.7040 20346.9109 14411.3107 231.8355 -203538.9252 2942.9120 0.0000 0.0000 52019.6447 -109705.6074 298.9576 -161725.2521 -109342.1461 298.8000 175.1281 197.8208 761534.0984 22.9176 22.8747 PRESSURE: 3579000 -80.3463 12.3983 94.9124 12.3981 -28.6123 -62.944 94.9129 -62.9446 -44.7869 GPRESSURE: 3579000 33.3939 -28.1513 141.582 70.5867 -6.77819 43.5084 41.3132 -42.5727 -73.8759 PRESSAVG: 3579000 -36.6958 -10.7716 24.3988 -10.7717 20.0008 36.7573 24.3988 36.7573 -7.12822 GPRESSAVG: 3579000 -35.2808 -10.1096 23.4072 -9.63541 18.5867 36.444 25.7276 39.2025 -7.68079 TIMING: 3579000 CPU: 11181.3, 0.00312147/step Wall: 11181.3, 0.00312147/step, 1.23211 hours remaining, 234.257812 MB of memory in use. ENERGY: 3579000 3907.3763 20349.6060 14457.1047 250.0539 -203430.0457 2793.8272 0.0000 0.0000 52026.1319 -109645.9457 298.9949 -161672.0776 -109281.7022 298.0986 -51.2485 -15.7534 761421.1882 -7.9411 -8.1250 PRESSURE: 3579200 -226.82 -154.798 -120.04 -154.798 -206.535 65.9573 -120.04 65.958 -163.778 GPRESSURE: 3579200 -178.222 -203.258 -188.698 -228.642 -171.21 18.7499 -125.604 28.7393 -174.457 PRESSAVG: 3579200 35.6236 -34.9181 -20.4109 -34.9181 -44.3165 3.1778 -20.4109 3.17784 -0.627709 GPRESSAVG: 3579200 34.5908 -35.6829 -18.3741 -37.0171 -43.7195 5.26532 -23.247 3.49599 -0.499343 TIMING: 3579200 CPU: 11181.9, 0.00312473/step Wall: 11181.9, 0.00312473/step, 1.23323 hours remaining, 234.257812 MB of memory in use. ENERGY: 3579200 3945.1888 20484.1591 14422.1008 242.2832 -203004.1149 2660.3856 0.0000 0.0000 51758.9764 -109491.0211 297.4595 -161249.9975 -109125.5763 298.6132 -199.0444 -174.6297 762809.6768 -3.1069 -3.2094 PRESSURE: 3579400 300.241 -209.523 42.193 -209.523 91.5789 -206.466 42.1935 -206.465 -84.1281 GPRESSURE: 3579400 310.681 -12.1063 51.3819 -263.814 111.178 -178.924 -26.6221 -212.379 -34.6475 PRESSAVG: 3579400 -32.4003 3.41499 -41.93 3.41503 57.4541 18.0912 -41.9301 18.0912 -35.2167 GPRESSAVG: 3579400 -32.4457 4.1321 -41.2393 3.58007 56.371 16.1949 -41.6118 17.987 -34.5467 TIMING: 3579400 CPU: 11182.5, 0.00310165/step Wall: 11182.5, 0.00310165/step, 1.22395 hours remaining, 234.257812 MB of memory in use. ENERGY: 3579400 4054.1084 20501.6224 14451.2098 249.1020 -203236.0848 2473.6307 0.0000 0.0000 51926.0661 -109580.3454 298.4198 -161506.4115 -109232.3065 298.5606 102.5639 129.0707 759787.3415 -3.3876 -3.5405 PRESSURE: 3579600 140.116 -130.301 70.8708 -130.3 -270.259 308.884 70.8706 308.884 -42.2694 GPRESSURE: 3579600 54.9946 -156.688 89.5796 -247.385 -142.175 246.536 73.5903 202.534 -14.0697 PRESSAVG: 3579600 -25.9433 20.9176 -13.5804 20.9176 11.2868 12.4791 -13.5804 12.4791 -2.73963 GPRESSAVG: 3579600 -26.9835 18.22 -14.3758 22.7245 12.7304 14.1329 -12.8454 12.9571 -2.89731 TIMING: 3579600 CPU: 11183.1, 0.00309466/step Wall: 11183.1, 0.00309466/step, 1.22101 hours remaining, 234.257812 MB of memory in use. ENERGY: 3579600 3944.2146 20540.4926 14497.0973 253.9638 -203747.5215 3004.5489 0.0000 0.0000 51910.4389 -109596.7655 298.3300 -161507.2044 -109237.5878 298.7624 -57.4708 -33.7500 761896.6175 -5.7987 -5.7168 PRESSURE: 3579800 58.7414 126.069 18.2954 126.069 12.9961 -166.956 18.2957 -166.956 -212.851 GPRESSURE: 3579800 112.918 134.767 97.6479 126.177 24.549 -128.06 -63.2124 -113.908 -202.923 PRESSAVG: 3579800 -11.4659 22.1705 -43.1507 22.1705 -13.029 -11.0748 -43.1508 -11.0748 2.71492 GPRESSAVG: 3579800 -9.62528 23.4954 -41.849 20.7993 -14.3606 -12.7626 -43.4722 -12.5086 2.35028 TIMING: 3579800 CPU: 11183.7, 0.0031156/step Wall: 11183.7, 0.0031156/step, 1.22911 hours remaining, 234.257812 MB of memory in use. ENERGY: 3579800 3948.5714 20680.2473 14451.6656 240.9721 -203255.3251 2667.3752 0.0000 0.0000 51903.3080 -109363.1855 298.2890 -161266.4935 -109016.5973 299.1387 -47.0377 -21.8187 762621.5331 -7.2600 -7.2119 PRESSURE: 3580000 471.887 -11.0417 -59.4564 -11.0421 -132.484 -119.18 -59.4558 -119.179 75.2625 GPRESSURE: 3580000 445.187 -54.4847 -6.6082 128.857 -47.082 -110.148 -103.497 -241.494 81.2905 PRESSAVG: 3580000 5.28528 24.7848 -9.97883 24.7849 20.3283 -45.6285 -9.97887 -45.6285 6.53374 GPRESSAVG: 3580000 4.51607 24.9804 -11.0875 24.2276 20.7171 -44.7446 -10.3674 -45.3029 6.9856 TIMING: 3580000 CPU: 11184.4, 0.00311341/step Wall: 11184.4, 0.00311341/step, 1.22807 hours remaining, 234.257812 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: 3580000 3969.4030 20395.7750 14457.5998 264.2516 -203279.4038 2702.5734 0.0000 0.0000 51963.2311 -109526.5700 298.6334 -161489.8011 -109163.5466 298.5623 138.2219 159.7984 761390.6847 10.7158 10.7396 PRESSURE: 3580200 -88.5471 -159.609 238.217 -159.608 66.22 -221.505 238.218 -221.506 94.5308 GPRESSURE: 3580200 -54.2079 -66.6896 292.321 -165.819 99.9644 -206.12 178.585 -248.976 120.638 PRESSAVG: 3580200 -36.0328 36.2312 9.37253 36.2313 -16.5739 -10.2778 9.3725 -10.2778 -4.13658 GPRESSAVG: 3580200 -36.6216 37.8469 9.2394 36.7128 -15.6106 -9.92597 10.3381 -9.79028 -3.80374 TIMING: 3580200 CPU: 11185, 0.00311367/step Wall: 11185, 0.00311366/step, 1.22799 hours remaining, 234.257812 MB of memory in use. ENERGY: 3580200 3935.3104 20683.9913 14425.1653 252.8972 -203371.2835 2704.9144 0.0000 0.0000 52279.2501 -109089.7546 300.4496 -161369.0047 -108728.4944 298.6699 24.0679 55.4648 762452.4371 -18.9144 -18.6787 LDB: ============= START OF LOAD BALANCING ============== 11197.5 LDB: ============== END OF LOAD BALANCING =============== 11197.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11197.5 LDB: ============= START OF LOAD BALANCING ============== 11197.8 LDB: Largest compute 7031 load 0.028816 is 14.8% of average load 0.195172 LDB: Average compute 0.004391 is 2.2% of average load 0.195172 LDB: TIME 11197.8 LOAD: AVG 0.195172 MAX 0.213443 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.539 MB LDB: TIME 11197.8 LOAD: AVG 0.195172 MAX 0.213443 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.707 MB LDB: TIME 11197.8 LOAD: AVG 0.195172 MAX 0.213443 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.707 MB LDB: ============== END OF LOAD BALANCING =============== 11197.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11197.8 PRESSURE: 3580400 50.4742 -43.3219 -266.097 -43.3223 215.597 134.103 -266.097 134.104 2.39625 GPRESSURE: 3580400 56.8684 12.5133 -262.444 35.1811 233.765 159.358 -199.415 111.041 50.3996 PRESSAVG: 3580400 -57.3946 35.4979 22.7724 35.4979 55.4498 10.8679 22.7724 10.8679 -18.4478 GPRESSAVG: 3580400 -58.4122 33.8197 22.4983 38.376 55.1226 10.8318 21.7909 10.5665 -17.6951 TIMING: 3580400 CPU: 11185.6, 0.00317612/step Wall: 11185.6, 0.00317612/step, 1.25245 hours remaining, 234.824219 MB of memory in use. ENERGY: 3580400 3974.7661 20560.7624 14404.7286 248.1787 -202976.4734 2796.0482 0.0000 0.0000 51886.0068 -109105.9826 298.1896 -160991.9894 -108747.2693 298.7362 89.4891 113.6776 762509.4324 -6.7975 -6.9949 PRESSURE: 3580600 -136.614 -113.585 -118.126 -113.585 155.722 -143.392 -118.127 -143.393 -173.166 GPRESSURE: 3580600 -119.224 -89.5978 -55.6603 -243.823 194.26 -124.959 30.0303 -129.627 -125.203 PRESSAVG: 3580600 -82.9081 12.6585 -12.2209 12.6586 98.2819 47.9271 -12.2209 47.9271 -3.84186 GPRESSAVG: 3580600 -82.0621 13.2561 -12.2074 10.5221 98.9094 47.2293 -11.1207 47.9496 -4.91911 TIMING: 3580600 CPU: 11186.3, 0.00313651/step Wall: 11186.3, 0.00313651/step, 1.23666 hours remaining, 235.082031 MB of memory in use. ENERGY: 3580600 3970.0093 20465.7494 14406.4020 248.0419 -203338.9538 3037.1889 0.0000 0.0000 52196.6790 -109014.8832 299.9750 -161211.5622 -108655.7933 298.9776 -51.3529 -16.7224 762679.5011 3.8440 3.9761 PRESSURE: 3580800 -36.0603 -86.6345 -115.941 -86.6355 -53.9176 -267.041 -115.941 -267.041 145.333 GPRESSURE: 3580800 -23.8135 -150.548 -67.6689 -188.353 -28.7429 -289.893 -61.0687 -162.209 174.091 PRESSAVG: 3580800 -42.5882 -28.5596 -25.3479 -28.5596 25.7686 34.5304 -25.3479 34.5304 -6.16364 GPRESSAVG: 3580800 -42.8935 -28.4531 -24.6187 -28.0274 23.7935 34.863 -26.8802 36.4671 -4.23099 TIMING: 3580800 CPU: 11186.9, 0.0031236/step Wall: 11186.9, 0.0031236/step, 1.23139 hours remaining, 235.082031 MB of memory in use. ENERGY: 3580800 3956.3549 20508.4913 14442.0474 250.2633 -202662.7929 2317.5207 0.0000 0.0000 52317.9869 -108870.1283 300.6722 -161188.1152 -108509.0830 299.7014 18.4519 40.5114 764746.6719 -7.6611 -7.7770 PRESSURE: 3581000 -243.335 144.769 188.871 144.77 -262.685 1.92171 188.872 1.92311 -66.4703 GPRESSURE: 3581000 -241.311 173.222 174.961 159.565 -173.179 -22.4217 181.269 53.7471 -85.167 PRESSAVG: 3581000 6.17755 -32.7662 9.73924 -32.7662 38.628 92.2404 9.7393 92.2404 10.4342 GPRESSAVG: 3581000 6.00918 -33.6593 8.98715 -31.5599 40.3274 92.8588 11.0036 90.4629 9.09023 TIMING: 3581000 CPU: 11187.5, 0.00312172/step Wall: 11187.5, 0.00312172/step, 1.23048 hours remaining, 235.082031 MB of memory in use. ENERGY: 3581000 4062.1219 20607.5459 14457.2233 228.4867 -203233.3059 2911.2445 0.0000 0.0000 52016.4330 -108950.2506 298.9392 -160966.6836 -108592.9437 299.7448 -190.8301 -166.5524 762435.4966 18.4132 18.4756 PRESSURE: 3581200 -237.952 -56.551 -151.686 -56.551 -619.692 30.4873 -151.686 30.4864 -125.25 GPRESSURE: 3581200 -185.654 -25.0273 -126.232 16.3452 -593.311 1.69603 -141.749 97.6009 -127.229 PRESSAVG: 3581200 16.0739 -3.13856 27.3572 -3.13852 -25.2691 11.0089 27.3572 11.009 12.1942 GPRESSAVG: 3581200 17.0386 -0.48242 26.2452 -3.59138 -25.7506 10.9568 25.4987 10.4467 12.4549 TIMING: 3581200 CPU: 11188.1, 0.00311625/step Wall: 11188.1, 0.00311625/step, 1.22815 hours remaining, 235.082031 MB of memory in use. ENERGY: 3581200 4082.1206 20706.5560 14459.5292 238.9811 -202680.7231 2303.3719 0.0000 0.0000 52296.2940 -108593.8702 300.5475 -160890.1642 -108231.7646 300.3712 -327.6314 -302.0648 763252.1683 0.9997 1.2476 PRESSURE: 3581400 -32.6745 79.2185 160.758 79.2187 -22.6491 -125.753 160.758 -125.753 -90.1669 GPRESSURE: 3581400 -13.1267 33.7984 82.5123 133.268 48.8661 -54.4039 207.504 -100.393 -98.6154 PRESSAVG: 3581400 -63.0807 21.4565 -8.99186 21.4565 24.2431 8.16099 -8.99186 8.16101 -22.8138 GPRESSAVG: 3581400 -61.791 17.029 -8.45463 22.3345 24.2596 8.87808 -7.51955 8.59999 -23.4557 TIMING: 3581400 CPU: 11188.7, 0.00311612/step Wall: 11188.7, 0.00311612/step, 1.22793 hours remaining, 235.082031 MB of memory in use. ENERGY: 3581400 3988.8431 20728.5350 14362.6669 271.2997 -203090.0763 2805.7084 0.0000 0.0000 52283.3232 -108649.7001 300.4730 -160933.0233 -108277.7894 301.1309 -48.4968 -20.9587 762020.5810 -20.5505 -20.3290 PRESSURE: 3581600 -1.06734 -70.0049 5.89951 -70.0048 -44.094 60.3274 5.9002 60.3283 4.41658 GPRESSURE: 3581600 24.7461 59.013 89.0456 -121.637 35.2846 35.8366 -6.97166 -106.879 -12.0145 PRESSAVG: 3581600 -18.5856 49.9275 47.2127 49.9276 13.9154 16.376 47.2128 16.376 10.9786 GPRESSAVG: 3581600 -18.6231 52.4016 48.966 50.3387 14.0244 16.765 47.0134 15.3683 11.0936 TIMING: 3581600 CPU: 11189.4, 0.00311513/step Wall: 11189.4, 0.00311513/step, 1.22736 hours remaining, 235.082031 MB of memory in use. ENERGY: 3581600 4028.1087 20594.1754 14363.3980 252.7811 -203173.2267 2671.7764 0.0000 0.0000 52531.4618 -108731.5254 301.8990 -161262.9872 -108365.3331 301.1703 -13.5816 16.0054 761485.2617 2.1028 2.1649 PRESSURE: 3581800 -49.8943 175.537 -11.0455 175.537 -336.328 -101.233 -11.0458 -101.232 114.748 GPRESSURE: 3581800 94.3384 207.879 -28.9448 87.4498 -366.459 -155.73 -28.0043 -78.7112 94.6751 PRESSAVG: 3581800 11.9468 20.3941 19.3663 20.3941 8.06597 30.7993 19.3663 30.7993 1.02722 GPRESSAVG: 3581800 11.5074 20.4491 20.1767 20.3801 7.52458 30.1375 17.2467 30.639 2.17593 TIMING: 3581800 CPU: 11190, 0.00311316/step Wall: 11190, 0.00311316/step, 1.22641 hours remaining, 235.082031 MB of memory in use. ENERGY: 3581800 4027.0553 20549.0439 14438.8256 279.5221 -203018.0480 2558.9167 0.0000 0.0000 52317.7915 -108846.8928 300.6711 -161164.6844 -108481.2532 300.4516 -90.4915 -59.1484 761740.7853 7.0133 7.0693 PRESSURE: 3582000 -95.3872 -60.964 151.817 -60.9638 -156.585 -173.481 151.816 -173.482 -287.902 GPRESSURE: 3582000 -39.7756 -89.8976 164.889 -5.51515 -130.935 -191.108 178.334 -189.829 -306.649 PRESSAVG: 3582000 20.178 1.42029 6.49768 1.42036 -48.9037 38.0713 6.49767 38.0714 -10.0192 GPRESSAVG: 3582000 21.2405 0.587189 4.27863 0.873292 -48.5048 39.4491 10.0894 36.4691 -11.4418 TIMING: 3582000 CPU: 11190.6, 0.00311241/step Wall: 11190.6, 0.00311241/step, 1.22594 hours remaining, 235.082031 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: 3582000 4103.5421 20524.2471 14425.0973 251.5074 -202855.4074 2554.5114 0.0000 0.0000 51868.0890 -109128.4130 298.0866 -160996.5020 -108760.8641 300.1451 -179.9579 -159.1198 763054.8235 -12.9150 -12.9020 PRESSURE: 3582200 -260.574 93.2726 -187.544 93.2734 -323.174 175.691 -187.543 175.691 -36.6657 GPRESSURE: 3582200 -273.27 -32.1238 -256.472 148.087 -240.699 225.893 -275.662 203.439 -33.2753 PRESSAVG: 3582200 31.0446 24.2613 44.8881 24.2612 -28.9335 -64.1286 44.8881 -64.1286 -11.0113 GPRESSAVG: 3582200 29.3659 24.7764 46.7877 23.7732 -28.6984 -66.7621 42.0615 -61.8688 -9.54186 TIMING: 3582200 CPU: 11191.2, 0.00312144/step Wall: 11191.2, 0.00312144/step, 1.22933 hours remaining, 235.082031 MB of memory in use. ENERGY: 3582200 3989.0311 20498.5672 14398.2239 239.1796 -202937.1604 2354.6202 0.0000 0.0000 52044.7285 -109412.8098 299.1018 -161457.5384 -109057.3986 299.8974 -206.8045 -182.4149 762246.4770 -2.9667 -2.9581 PRESSURE: 3582400 221.177 14.1465 -69.7743 14.1461 -59.9507 -365.698 -69.7738 -365.698 -34.2561 GPRESSURE: 3582400 266.776 67.1604 28.6901 -88.2603 47.7985 -246.448 -138.514 -418.941 -93.4575 PRESSAVG: 3582400 -3.47919 -19.2306 -66.9142 -19.2305 -23.4922 14.0075 -66.9142 14.0074 6.98839 GPRESSAVG: 3582400 -3.4583 -18.9445 -67.3085 -19.283 -23.7744 16.0209 -66.5968 12.4612 6.95306 TIMING: 3582400 CPU: 11191.9, 0.00311885/step Wall: 11191.9, 0.00311885/step, 1.22813 hours remaining, 235.082031 MB of memory in use. ENERGY: 3582400 4036.9964 20400.9005 14509.6329 246.7058 -203345.3220 2690.3676 0.0000 0.0000 51861.9304 -109598.7883 298.0512 -161460.7187 -109237.9091 298.7592 42.3235 73.7058 761449.9063 -6.6610 -6.7599 PRESSURE: 3582600 -175.417 -157.759 129.938 -157.759 28.0432 38.3647 129.939 38.3636 327.854 GPRESSURE: 3582600 -57.4791 -149.031 73.8862 -149.53 27.5421 -41.9465 55.6424 44.287 309.265 PRESSAVG: 3582600 38.1358 -33.5289 -60.6369 -33.529 -28.5281 7.14215 -60.6369 7.14224 10.2591 GPRESSAVG: 3582600 38.1 -31.9991 -61.8553 -33.3295 -28.0537 6.02652 -59.6667 9.16264 9.54151 TIMING: 3582600 CPU: 11192.5, 0.00314158/step Wall: 11192.5, 0.00314158/step, 1.23691 hours remaining, 235.082031 MB of memory in use. ENERGY: 3582600 4011.9802 20470.4909 14437.6003 235.6612 -203389.9044 2693.5261 0.0000 0.0000 51864.5271 -109676.1186 298.0662 -161540.6457 -109313.5910 298.9303 60.1600 93.1093 762230.9303 6.6223 6.5292 PRESSURE: 3582800 -28.1151 -146.122 -195.968 -146.123 -247.336 306.252 -195.968 306.253 -291.328 GPRESSURE: 3582800 -72.6961 -227.088 -65.0983 -52.6452 -146.221 259.755 -245.342 101.847 -269.914 PRESSAVG: 3582800 36.6627 -5.56495 -14.8599 -5.56495 -42.5146 50.4309 -14.8599 50.4309 13.7043 GPRESSAVG: 3582800 36.1342 -8.31472 -14.5423 -2.43615 -41.8323 50.2374 -14.405 48.9191 13.7447 TIMING: 3582800 CPU: 11193.1, 0.00313338/step Wall: 11193.1, 0.00313338/step, 1.23351 hours remaining, 235.152344 MB of memory in use. ENERGY: 3582800 4073.6821 20415.9958 14492.2848 231.1638 -203571.2943 2620.9966 0.0000 0.0000 52034.7311 -109702.4402 299.0443 -161737.1713 -109350.9709 298.6393 -188.9263 -162.9438 762434.0096 2.6175 2.6822 PRESSURE: 3583000 231.11 -107.497 56.8053 -107.497 245.814 343.353 56.8055 343.353 502.197 GPRESSURE: 3583000 328.603 -72.4138 55.8344 -117.333 252.286 395.862 31.8245 414.258 483.418 PRESSAVG: 3583000 -20.456 33.8389 6.85332 33.8389 19.1617 72.0489 6.85331 72.0489 -10.5846 GPRESSAVG: 3583000 -19.4521 34.6493 5.50253 30.3073 18.2831 72.0215 8.95045 72.4207 -11.1758 TIMING: 3583000 CPU: 11193.7, 0.00312832/step Wall: 11193.7, 0.00312832/step, 1.23134 hours remaining, 235.152344 MB of memory in use. ENERGY: 3583000 3980.3620 20594.2857 14449.4671 246.2744 -204167.4580 3175.4716 0.0000 0.0000 52079.3765 -109642.2207 299.3009 -161721.5973 -109281.9790 298.6309 326.3737 354.7691 761705.3979 -3.9597 -4.1149 PRESSURE: 3583200 30.1688 -89.6743 -121.265 -89.6739 -179.408 273.026 -121.265 273.026 -481.167 GPRESSURE: 3583200 100.845 88.7092 -144.949 -104.037 -137.062 281.805 6.84859 161.795 -518.299 PRESSAVG: 3583200 35.6404 -32.6609 -14.1696 -32.6609 -47.1591 38.6493 -14.1697 38.6492 2.4435 GPRESSAVG: 3583200 35.7693 -32.2879 -13.4153 -29.1296 -46.6241 38.4345 -17.5945 39.1793 1.66128 TIMING: 3583200 CPU: 11194.4, 0.00314815/step Wall: 11194.4, 0.00314815/step, 1.23897 hours remaining, 235.152344 MB of memory in use. ENERGY: 3583200 4029.5098 20603.4526 14446.8067 253.7859 -203609.5339 2744.0901 0.0000 0.0000 51910.3696 -109621.5193 298.3296 -161531.8889 -109265.1670 298.6658 -210.1353 -184.8386 763192.8752 -3.0251 -3.0645 PRESSURE: 3583400 -6.70745 -43.3257 -58.6605 -43.3263 -100.18 -80.9953 -58.6605 -80.9955 -188.141 GPRESSURE: 3583400 -94.5352 -193.05 -104.433 -17.3672 60.9777 -95.2505 -69.0828 -64.099 -141.401 PRESSAVG: 3583400 -0.587979 -4.29266 -13.6812 -4.29277 -13.4525 72.5699 -13.6812 72.5699 13.4649 GPRESSAVG: 3583400 -1.90952 -3.11328 -14.2358 -7.33008 -14.0886 72.5112 -12.7923 70.3377 14.4862 TIMING: 3583400 CPU: 11195, 0.00316088/step Wall: 11195, 0.00316088/step, 1.24381 hours remaining, 235.152344 MB of memory in use. ENERGY: 3583400 4003.5672 20589.8690 14359.4257 261.3729 -203612.5657 2778.2842 0.0000 0.0000 52270.3194 -109349.7272 300.3982 -161620.0466 -108974.0082 299.4607 -98.3430 -58.3196 762641.3657 -0.1919 -0.5040 PRESSURE: 3583600 7.70615 -11.873 -78.4872 -11.8734 -41.25 99.3601 -78.4883 99.3606 -61.3316 GPRESSURE: 3583600 -11.8904 -24.0579 50.4335 56.624 10.0611 183.702 -6.69483 51.0775 -27.4756 PRESSAVG: 3583600 19.8892 -8.21058 -13.3628 -8.21056 22.183 55.3519 -13.3628 55.352 14.3051 GPRESSAVG: 3583600 20.1529 -8.24304 -13.2082 -9.00051 22.4047 56.5793 -12.2506 55.9166 14.3559 TIMING: 3583600 CPU: 11195.6, 0.00313557/step Wall: 11195.6, 0.00313557/step, 1.23367 hours remaining, 235.152344 MB of memory in use. ENERGY: 3583600 4010.2780 20449.4620 14359.8451 240.6081 -203184.6646 2630.6055 0.0000 0.0000 51979.0434 -109514.8225 298.7243 -161493.8659 -109139.2456 299.3856 -31.6251 -9.7683 762515.0563 18.7924 18.9712 PRESSURE: 3583800 -80.7128 218.32 187.532 218.321 166.067 151.906 187.533 151.905 -48.9342 GPRESSURE: 3583800 25.3901 255.446 208.834 194.275 152.729 14.9091 189.61 290.492 -53.9484 PRESSAVG: 3583800 38.8668 -29.8174 38.3818 -29.8175 -15.5107 4.1257 38.3817 4.1257 -7.77575 GPRESSAVG: 3583800 39.8021 -28.5907 39.4475 -29.0496 -15.3078 2.04158 36.6709 4.43416 -8.49959 TIMING: 3583800 CPU: 11196.3, 0.00315964/step Wall: 11196.3, 0.00315964/step, 1.24297 hours remaining, 235.152344 MB of memory in use. ENERGY: 3583800 3936.9794 20423.6469 14375.9142 229.0606 -203293.4215 2637.6626 0.0000 0.0000 52171.1507 -109519.0071 299.8283 -161690.1577 -109147.4841 298.7723 12.1399 41.3903 761856.7607 5.1935 5.3316 PRESSURE: 3584000 -44.0228 1.65815 59.7993 1.65837 -156.817 -139.368 59.7994 -139.368 -486.636 GPRESSURE: 3584000 -28.4827 18.0527 40.2982 24.927 -191.922 -159.574 -29.7941 -12.192 -372.934 PRESSAVG: 3584000 18.67 -9.7608 69.3841 -9.76077 13.4962 27.8153 69.3841 27.8152 -5.01653 GPRESSAVG: 3584000 18.436 -10.9407 67.8472 -7.14148 12.2885 30.3284 70.824 30.6564 -3.93625 TIMING: 3584000 CPU: 11196.9, 0.00312054/step Wall: 11196.9, 0.00312054/step, 1.22741 hours remaining, 235.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3584000 4010.8083 20334.8944 14450.1938 241.6647 -203163.8984 2672.2221 0.0000 0.0000 51893.9094 -109560.2056 298.2350 -161454.1150 -109205.2177 298.8865 -229.1586 -197.7795 762894.9710 9.0499 8.9294 PRESSURE: 3584200 11.3412 92.1682 -105.451 92.1693 31.9563 93.6827 -105.451 93.6827 -413.433 GPRESSURE: 3584200 84.147 62.895 -17.5231 40.6983 -29.6957 57.8725 -112.258 117.329 -348.052 PRESSAVG: 3584200 -20.7433 -41.9862 42.0055 -41.9862 2.43239 -56.1933 42.0055 -56.1932 23.8791 GPRESSAVG: 3584200 -21.2037 -42.9053 44.7106 -41.9106 4.49369 -58.4188 40.3574 -57.3151 23.095 TIMING: 3584200 CPU: 11197.5, 0.00311366/step Wall: 11197.5, 0.00311366/step, 1.22453 hours remaining, 235.152344 MB of memory in use. ENERGY: 3584200 3970.9154 20613.1263 14408.4785 240.2493 -203474.9152 2713.8487 0.0000 0.0000 51895.0622 -109633.2348 298.2416 -161528.2970 -109277.8776 299.0986 -123.3783 -97.8670 761632.0108 1.8560 2.1283 LDB: ============= START OF LOAD BALANCING ============== 11210 LDB: ============== END OF LOAD BALANCING =============== 11210 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11210 LDB: ============= START OF LOAD BALANCING ============== 11210.3 LDB: Largest compute 7070 load 0.030836 is 15.8% of average load 0.195330 LDB: Average compute 0.004393 is 2.2% of average load 0.195330 LDB: TIME 11210.3 LOAD: AVG 0.19533 MAX 0.215712 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.438 MB LDB: TIME 11210.3 LOAD: AVG 0.19533 MAX 0.215712 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.438 MB LDB: TIME 11210.3 LOAD: AVG 0.19533 MAX 0.215712 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.438 MB LDB: ============== END OF LOAD BALANCING =============== 11210.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11210.3 PRESSURE: 3584400 -324.167 -222.737 -42.924 -222.737 -80.0487 -77.8714 -42.9244 -77.8712 200.231 GPRESSURE: 3584400 -371.321 -149.562 -38.1639 -238.155 -76.2562 -57.5789 -51.4496 -121.014 326.275 PRESSAVG: 3584400 0.228259 5.19069 -24.9151 5.19064 23.1242 3.39042 -24.9151 3.39031 22.2373 GPRESSAVG: 3584400 0.455947 4.30949 -26.6585 2.98111 22.4782 4.50084 -25.8029 2.24925 22.5403 TIMING: 3584400 CPU: 11198.2, 0.00320528/step Wall: 11198.2, 0.00320528/step, 1.26039 hours remaining, 234.890625 MB of memory in use. ENERGY: 3584400 4060.3707 20451.5512 14413.1783 248.9041 -203180.7989 2569.0512 0.0000 0.0000 51788.7617 -109648.9819 297.6307 -161437.7435 -109291.9879 298.9395 -67.9951 -40.4339 761265.2111 15.1966 15.1582 PRESSURE: 3584600 -148.707 -30.0332 78.3397 -30.0335 -102.524 64.6722 78.3398 64.6748 114.927 GPRESSURE: 3584600 -138.139 -57.012 144.762 -31.2759 -18.6133 -18.1038 42.8627 57.9795 113.885 PRESSAVG: 3584600 7.6395 -15.1655 36.3376 -15.1654 -13.9005 -27.6271 36.3376 -27.6271 -5.0668 GPRESSAVG: 3584600 8.28548 -15.1262 34.7402 -13.6169 -13.092 -27.4533 39.9081 -27.1823 -5.78972 TIMING: 3584600 CPU: 11198.8, 0.00311032/step Wall: 11198.8, 0.00311032/step, 1.22287 hours remaining, 234.890625 MB of memory in use. ENERGY: 3584600 3927.8441 20489.3190 14520.2972 247.8998 -203356.3433 2639.5646 0.0000 0.0000 52131.5601 -109399.8585 299.6008 -161531.4186 -109039.9758 298.4479 -45.4347 -14.2892 762517.0097 -3.7759 -3.5321 PRESSURE: 3584800 -103.244 80.4268 25.4787 80.4263 -128.174 -93.8578 25.4783 -93.8578 103.413 GPRESSURE: 3584800 -27.2352 138.985 109.488 116.132 -147.565 -122.673 7.25605 -169.404 125.894 PRESSAVG: 3584800 -40.2908 -48.974 27.4236 -48.974 63.1233 12.2978 27.4236 12.2978 -5.37193 GPRESSAVG: 3584800 -40.6956 -48.3768 29.8479 -48.4663 62.0694 10.3751 25.7656 10.7056 -4.10675 TIMING: 3584800 CPU: 11199.4, 0.00312008/step Wall: 11199.4, 0.00312008/step, 1.22654 hours remaining, 234.890625 MB of memory in use. ENERGY: 3584800 3988.7659 20412.0639 14512.0272 245.4141 -203553.8654 2787.9604 0.0000 0.0000 51998.0869 -109609.5470 298.8337 -161607.6339 -109244.1567 299.2329 -42.6686 -16.3021 760926.0177 5.8202 5.7557 PRESSURE: 3585000 27.378 -100.43 -1.90561 -100.431 316.434 4.97835 -1.90645 4.97918 -18.1198 GPRESSURE: 3585000 40.3744 -75.4295 -2.35069 -69.3883 316.539 31.7948 -31.5237 159.935 28.7058 PRESSAVG: 3585000 -39.8548 -27.0088 -2.37703 -27.0088 36.0189 59.0762 -2.37709 59.0762 -8.94056 GPRESSAVG: 3585000 -40.2722 -25.783 -3.94675 -27.46 36.9261 59.5389 -2.58492 61.3262 -9.74551 TIMING: 3585000 CPU: 11200, 0.00311789/step Wall: 11200, 0.00311789/step, 1.2255 hours remaining, 234.890625 MB of memory in use. ENERGY: 3585000 4116.7529 20570.7657 14490.1402 232.3576 -203940.9430 2908.9687 0.0000 0.0000 51976.2038 -109645.7541 298.7080 -161621.9579 -109284.8505 298.8721 108.5639 128.5396 759549.2423 -4.2588 -4.3639 PRESSURE: 3585200 -203.54 3.94422 -39.7157 3.94449 82.8033 -51.6873 -39.7158 -51.6885 -274.228 GPRESSURE: 3585200 -172.789 -105.194 -105.882 -85.8659 39.8011 -12.2354 -27.1243 15.2771 -183.859 PRESSAVG: 3585200 -13.0116 -56.906 -12.2743 -56.9059 26.8822 -17.9485 -12.2743 -17.9485 -23.7386 GPRESSAVG: 3585200 -13.1758 -57.3508 -11.9943 -55.6668 26.3649 -17.1704 -9.95398 -16.5268 -22.4727 TIMING: 3585200 CPU: 11200.6, 0.00311303/step Wall: 11200.6, 0.00311303/step, 1.22342 hours remaining, 234.890625 MB of memory in use. ENERGY: 3585200 3975.8980 20548.4664 14429.9462 247.6302 -203390.2204 2661.0732 0.0000 0.0000 51958.8841 -109568.3222 298.6084 -161527.2063 -109200.2683 298.8694 -131.6552 -105.6156 761709.4525 -3.2893 -3.0946 PRESSURE: 3585400 254.126 69.029 157.052 69.0292 51.3435 -106.143 157.052 -106.142 338.941 GPRESSURE: 3585400 220.109 111.353 117.992 -10.4655 168.666 -59.5626 204.364 -149.358 350.67 PRESSAVG: 3585400 -82.6498 -35.6557 10.3127 -35.6555 29.079 -20.1787 10.3127 -20.1786 1.1319 GPRESSAVG: 3585400 -82.0037 -36.2783 11.2739 -36.5204 28.708 -18.5222 8.9288 -22.4559 0.533781 TIMING: 3585400 CPU: 11201.3, 0.00310737/step Wall: 11201.3, 0.00310737/step, 1.22102 hours remaining, 234.890625 MB of memory in use. ENERGY: 3585400 3966.0122 20508.3161 14486.3761 247.5281 -203590.4457 2899.0129 0.0000 0.0000 51920.8642 -109562.3361 298.3899 -161483.2002 -109212.6557 299.3428 214.8035 246.4816 761538.7494 -17.4796 -17.5873 PRESSURE: 3585600 110.655 -115.492 271.964 -115.494 158.49 327.764 271.964 327.764 101.453 GPRESSURE: 3585600 157.134 -8.56152 118.215 -71.0819 162.289 345.86 241.792 160.305 137.243 PRESSAVG: 3585600 -7.11904 -18.9874 15.1693 -18.9874 30.4435 15.8877 15.1694 15.8877 1.69025 GPRESSAVG: 3585600 -8.44889 -16.9556 13.1488 -20.5809 31.5631 13.6639 14.0271 15.1766 1.49952 TIMING: 3585600 CPU: 11201.9, 0.00311091/step Wall: 11201.9, 0.00311092/step, 1.22224 hours remaining, 234.890625 MB of memory in use. ENERGY: 3585600 3968.8528 20541.5232 14407.9742 229.7510 -203664.5289 2928.7597 0.0000 0.0000 52020.3081 -109567.3599 298.9614 -161587.6680 -109211.2987 298.9370 123.5327 152.2219 760963.7137 8.3382 8.2046 PRESSURE: 3585800 93.753 249.374 -224.746 249.374 -196.552 151.455 -224.746 151.455 -330.517 GPRESSURE: 3585800 122.639 124.456 -178.996 138.489 -227.187 157.804 -110.26 175.147 -251.269 PRESSAVG: 3585800 2.52619 -18.2353 -81.2592 -18.2353 87.1911 9.77879 -81.2592 9.77884 -5.12762 GPRESSAVG: 3585800 4.52626 -20.1927 -79.2841 -16.4617 85.4921 11.5912 -81.4487 11.2198 -4.95081 TIMING: 3585800 CPU: 11202.5, 0.00310634/step Wall: 11202.5, 0.00310634/step, 1.22027 hours remaining, 234.890625 MB of memory in use. ENERGY: 3585800 4070.6355 20583.2971 14356.7406 245.6929 -203335.6671 2588.4104 0.0000 0.0000 52246.5910 -109244.2995 300.2619 -161490.8905 -108874.1014 299.5931 -144.4387 -118.6054 761103.3652 28.1966 28.3558 PRESSURE: 3586000 81.9316 207.091 224.459 207.091 275.123 22.1579 224.459 22.157 556.43 GPRESSURE: 3586000 149.58 186.532 246.274 148.947 326.98 -58.2345 201.968 15.3802 531.315 PRESSAVG: 3586000 -4.78439 -1.20297 -14.1353 -1.20305 22.6416 15.8619 -14.1352 15.8618 -3.06346 GPRESSAVG: 3586000 -5.49109 0.35598 -14.0837 -3.3622 22.5954 14.8434 -13.5649 16.3387 -2.69639 TIMING: 3586000 CPU: 11203.1, 0.00311047/step Wall: 11203.1, 0.00311047/step, 1.22173 hours remaining, 234.890625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3586000 4007.7601 20474.1674 14446.4604 234.9052 -203360.7653 2828.1287 0.0000 0.0000 52121.8913 -109247.4523 299.5452 -161369.3436 -108887.3958 299.7426 304.4948 335.9584 761008.0726 4.9313 4.8026 PRESSURE: 3586200 58.7295 -49.0424 -48.3069 -49.0422 67.8579 -214.113 -48.3065 -214.113 15.4711 GPRESSURE: 3586200 162.603 72.4667 -49.8143 -125.623 133.123 -186.104 -36.4829 -303.597 -62.4652 PRESSAVG: 3586200 -18.6991 6.99098 -14.6157 6.99092 51.6111 74.9148 -14.6158 74.9149 -10.3604 GPRESSAVG: 3586200 -17.4006 5.54346 -14.4792 7.75594 52.632 73.9172 -13.9978 74.409 -12.1331 TIMING: 3586200 CPU: 11203.8, 0.00312484/step Wall: 11203.8, 0.00312484/step, 1.22719 hours remaining, 234.890625 MB of memory in use. ENERGY: 3586200 3989.3578 20503.5717 14402.9371 259.2566 -203555.8648 2940.2386 0.0000 0.0000 52306.9425 -109153.5604 300.6087 -161460.5030 -108787.0650 299.7600 47.3528 77.7537 760670.3188 7.5172 7.6994 PRESSURE: 3586400 -17.2778 19.4412 -58.6811 19.4411 -135.557 45.1562 -58.6812 45.1566 -241.675 GPRESSURE: 3586400 48.6726 103.449 -30.7403 -35.5745 -68.6971 216.678 -84.0438 39.5418 -309.838 PRESSAVG: 3586400 -16.5784 -6.99189 -25.0846 -6.99191 48.5081 34.4072 -25.0846 34.4072 6.25618 GPRESSAVG: 3586400 -17.1913 -7.8133 -26.0352 -5.21302 47.3627 36.6041 -25.1321 34.5037 7.66051 TIMING: 3586400 CPU: 11204.4, 0.00312665/step Wall: 11204.4, 0.00312665/step, 1.22773 hours remaining, 234.890625 MB of memory in use. ENERGY: 3586400 4023.9953 20511.4413 14460.2550 256.5767 -203156.5855 2499.7030 0.0000 0.0000 52288.5339 -109116.0804 300.5029 -161404.6143 -108749.7344 300.0393 -131.5033 -109.9543 760334.5991 12.7286 12.6106 PRESSURE: 3586600 -207.147 -147.853 159.795 -147.853 59.5785 -113.168 159.795 -113.168 326.861 GPRESSURE: 3586600 -107.052 -62.3922 105.417 -84.2801 -70.0798 11.1541 215.25 -111.832 424.022 PRESSAVG: 3586600 23.9794 6.42448 -28.696 6.42443 0.556468 -3.10069 -28.696 -3.10073 35.9702 GPRESSAVG: 3586600 22.9418 7.95734 -28.2434 4.79242 1.33584 -3.73154 -28.4644 -1.12442 36.0511 TIMING: 3586600 CPU: 11205, 0.00311962/step Wall: 11205, 0.00311962/step, 1.2248 hours remaining, 234.890625 MB of memory in use. ENERGY: 3586600 3906.8841 20633.3052 14419.1378 250.0765 -202860.3222 2316.2906 0.0000 0.0000 52171.5121 -109163.1160 299.8304 -161334.6281 -108802.1296 299.6300 59.7639 82.2966 760914.5157 20.1687 20.1096 PRESSURE: 3586800 13.2408 127.969 -151.119 127.969 204.744 89.4672 -151.119 89.4665 -143.385 GPRESSURE: 3586800 52.1872 150.242 -151.619 4.84218 200.558 71.3534 -132.534 -22.2029 -81.4509 PRESSAVG: 3586800 42.2455 58.7519 12.8511 58.7519 -35.4122 0.884233 12.8511 0.884214 -2.74835 GPRESSAVG: 3586800 43.1099 59.1565 11.6257 58.3076 -35.9411 0.922371 13.2144 -2.69246 -3.73315 TIMING: 3586800 CPU: 11205.6, 0.00312146/step Wall: 11205.6, 0.00312146/step, 1.22535 hours remaining, 234.890625 MB of memory in use. ENERGY: 3586800 3923.1637 20655.2361 14507.0640 263.2330 -203772.1734 3026.7554 0.0000 0.0000 52075.7598 -109320.9614 299.2801 -161396.7212 -108966.2987 299.7580 24.8667 57.0981 761202.3560 1.3616 1.1452 PRESSURE: 3587000 -163.485 68.9472 -125.104 68.947 -159.631 -124.727 -125.104 -124.727 7.33428 GPRESSURE: 3587000 -110.106 43.5865 -56.4255 34.8311 -82.1405 -219.735 -204.785 13.476 -33.0148 PRESSAVG: 3587000 47.3712 11.5924 -55.8412 11.5924 -26.4166 -30.9523 -55.8412 -30.9523 15.6869 GPRESSAVG: 3587000 46.9927 11.0219 -53.4781 12.59 -25.9318 -33.7801 -56.2799 -29.0264 16.1926 TIMING: 3587000 CPU: 11206.3, 0.00311158/step Wall: 11206.3, 0.00311158/step, 1.2213 hours remaining, 234.890625 MB of memory in use. ENERGY: 3587000 3951.0241 20476.1776 14503.7611 255.9815 -203096.7938 2545.1315 0.0000 0.0000 51826.5806 -109538.1372 297.8481 -161364.7179 -109173.3821 299.2894 -105.2605 -75.0871 763483.9035 12.2138 12.4178 PRESSURE: 3587200 -103.099 43.148 -186.635 43.1479 15.648 -171.854 -186.635 -171.854 -146.963 GPRESSURE: 3587200 -50.7313 118.525 -128.709 68.1045 15.4208 -138.595 -185.96 -77.397 -127.865 PRESSAVG: 3587200 -13.906 -15.4387 -5.40719 -15.4387 26.7943 -41.6163 -5.40722 -41.6163 -4.992 GPRESSAVG: 3587200 -11.548 -12.7536 -5.18652 -16.2781 25.0537 -37.4909 -4.74272 -42.2954 -5.23536 TIMING: 3587200 CPU: 11206.9, 0.00312497/step Wall: 11206.9, 0.00312497/step, 1.22638 hours remaining, 234.890625 MB of memory in use. ENERGY: 3587200 4032.8114 20558.1864 14462.5545 247.3118 -203427.1201 2783.4176 0.0000 0.0000 51998.7956 -109344.0427 298.8378 -161342.8383 -108988.3740 299.3275 -78.1380 -54.3917 761339.7697 2.6321 2.7568 PRESSURE: 3587400 -44.0601 141.238 21.9344 141.238 131.945 87.1275 21.9336 87.1268 -388.1 GPRESSURE: 3587400 -76.9882 40.735 -1.33039 209.169 184.209 55.6653 -200.174 -64.5341 -324.139 PRESSAVG: 3587400 -41.2566 -0.359643 -46.9339 -0.359642 44.0741 -62.4499 -46.9339 -62.4499 19.4431 GPRESSAVG: 3587400 -42.881 -2.33843 -49.3107 0.25879 45.6632 -63.246 -48.4489 -60.5231 19.5632 TIMING: 3587400 CPU: 11207.5, 0.00310672/step Wall: 11207.5, 0.00310672/step, 1.21904 hours remaining, 234.890625 MB of memory in use. ENERGY: 3587400 3897.4431 20650.8754 14398.4023 252.1586 -203668.8938 2837.0049 0.0000 0.0000 52095.1426 -109537.8669 299.3915 -161633.0094 -109179.9712 299.2451 -100.0717 -72.3061 762249.8159 7.4202 7.4485 PRESSURE: 3587600 -82.0757 -202.248 25.5578 -202.248 -180.675 -127.528 25.5583 -127.526 -4.73684 GPRESSURE: 3587600 -195.959 -235.602 -12.2575 -148.415 -85.433 -163.043 131.201 -25.6998 100.01 PRESSAVG: 3587600 -38.3544 28.8655 21.2027 28.8655 32.3424 -20.3029 21.2027 -20.3028 0.715096 GPRESSAVG: 3587600 -38.2738 27.8186 23.0726 30.2206 31.5408 -19.8143 21.6989 -21.4663 1.24461 TIMING: 3587600 CPU: 11208.1, 0.00312712/step Wall: 11208.1, 0.00312712/step, 1.22687 hours remaining, 234.890625 MB of memory in use. ENERGY: 3587600 3969.7985 20447.8114 14477.7129 239.6063 -203232.7617 2842.0994 0.0000 0.0000 51587.3258 -109668.4074 296.4731 -161255.7332 -109305.8300 298.7502 -89.1626 -60.4609 762058.0030 -1.7656 -1.8295 PRESSURE: 3587800 -197.758 42.7178 37.2745 42.7178 -326.003 16.016 37.2746 16.0157 -2.57379 GPRESSURE: 3587800 -248.372 11.3823 47.0578 49.1974 -188.143 2.52712 12.3958 -16.5061 8.50188 PRESSAVG: 3587800 -57.9522 -0.244037 -34.8879 -0.244004 23.6819 -38.641 -34.8878 -38.6409 9.23336 GPRESSAVG: 3587800 -58.3027 1.79288 -35.9637 -0.398841 24.9207 -39.0319 -33.4888 -39.5387 8.79639 TIMING: 3587800 CPU: 11208.8, 0.00312234/step Wall: 11208.8, 0.00312234/step, 1.22483 hours remaining, 234.890625 MB of memory in use. ENERGY: 3587800 3960.9452 20492.8231 14391.2849 243.2436 -203301.3055 2743.3818 0.0000 0.0000 52034.5277 -109435.0991 299.0431 -161469.6267 -109073.8459 298.6296 -175.4451 -142.6712 763824.8699 -8.3456 -8.1952 PRESSURE: 3588000 -352.195 -41.2266 92.1827 -41.226 -91.1076 78.7559 92.183 78.7566 -308.09 GPRESSURE: 3588000 -249.623 -89.3058 50.8758 -52.3353 -79.1688 79.6986 87.5776 71.5065 -354.703 PRESSAVG: 3588000 -27.0121 52.7148 -1.17689 52.7148 31.3728 5.63254 -1.1769 5.63261 15.464 GPRESSAVG: 3588000 -25.9655 51.0258 -0.704002 50.7384 31.0884 4.68013 -1.46967 5.27309 15.2364 TIMING: 3588000 CPU: 11209.4, 0.00309826/step Wall: 11209.4, 0.00309826/step, 1.21521 hours remaining, 234.890625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3588000 3933.2716 20489.0255 14496.6510 247.6188 -203108.6205 2563.7879 0.0000 0.0000 52016.2233 -109362.0424 298.9379 -161378.2657 -108996.6397 298.7782 -250.4641 -227.8317 762753.2788 6.6082 6.7864 PRESSURE: 3588200 29.8046 12.3146 -5.33357 12.3138 166.204 -202.556 -5.33253 -202.556 -48.6895 GPRESSURE: 3588200 113.231 -13.8674 -82.2601 2.4186 113.02 -267.862 -118.034 -181.768 -3.70649 PRESSAVG: 3588200 -55.1944 -39.6301 -3.10881 -39.63 28.8778 -0.0402631 -3.10875 -0.0402861 24.1002 GPRESSAVG: 3588200 -54.9861 -37.7964 -3.21359 -38.3045 27.2364 1.08896 -3.26977 0.229542 25.5086 TIMING: 3588200 CPU: 11210, 0.0031078/step Wall: 11210, 0.0031078/step, 1.21878 hours remaining, 234.890625 MB of memory in use. ENERGY: 3588200 3963.8667 20504.6970 14400.8821 263.7653 -203204.1378 2810.5060 0.0000 0.0000 51947.4736 -109312.9470 298.5428 -161260.4206 -108943.9112 298.7969 49.1064 74.1815 763592.8546 -0.7388 -0.7471 LDB: ============= START OF LOAD BALANCING ============== 11222.5 LDB: ============== END OF LOAD BALANCING =============== 11222.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11222.5 LDB: ============= START OF LOAD BALANCING ============== 11222.8 LDB: Largest compute 7065 load 0.028122 is 14.4% of average load 0.195175 LDB: Average compute 0.004381 is 2.2% of average load 0.195175 LDB: TIME 11222.8 LOAD: AVG 0.195175 MAX 0.21628 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.281 MB LDB: TIME 11222.8 LOAD: AVG 0.195175 MAX 0.21628 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.375 MB LDB: TIME 11222.8 LOAD: AVG 0.195175 MAX 0.21628 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.375 MB LDB: ============== END OF LOAD BALANCING =============== 11222.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11222.8 PRESSURE: 3588400 -30.2477 124.114 181.508 124.114 -138.004 -112.78 181.509 -112.781 -10.1235 GPRESSURE: 3588400 -2.31356 203.467 176.803 247.712 -157.086 -148.58 264.663 -26.5365 38.0137 PRESSAVG: 3588400 -1.26241 19.2195 -28.0746 19.2194 14.6815 -12.8518 -28.0746 -12.8518 5.4773 GPRESSAVG: 3588400 -1.13554 17.9088 -27.4409 20.6753 15.5286 -12.41 -29.8265 -13.8473 4.9303 TIMING: 3588400 CPU: 11210.6, 0.00321503/step Wall: 11210.6, 0.00321503/step, 1.26065 hours remaining, 234.769531 MB of memory in use. ENERGY: 3588400 4004.6526 20542.8032 14387.3740 265.3163 -203246.9417 2446.0659 0.0000 0.0000 52051.6674 -109549.0623 299.1416 -161600.7297 -109181.1603 299.2708 -59.4585 -40.4619 762442.8072 6.2988 6.4411 PRESSURE: 3588600 -533.194 -194.636 -367.171 -194.636 -218.342 -51.1604 -367.172 -51.1612 -469.286 GPRESSURE: 3588600 -502.62 -85.1063 -357.392 -265.694 -203.15 -84.6129 -291.128 -88.2059 -419.979 PRESSAVG: 3588600 5.82071 30.5009 -27.922 30.5008 -32.7223 -53.1074 -27.922 -53.1073 -19.6563 GPRESSAVG: 3588600 5.85642 30.4516 -27.7354 29.516 -32.6937 -52.9322 -25.9983 -50.371 -19.2107 TIMING: 3588600 CPU: 11211.3, 0.00313733/step Wall: 11211.3, 0.00313733/step, 1.23001 hours remaining, 234.769531 MB of memory in use. ENERGY: 3588600 3980.7762 20474.8998 14455.6211 239.4241 -202837.6385 2386.0568 0.0000 0.0000 51834.3792 -109466.4814 297.8929 -161300.8605 -109096.2741 298.4205 -406.9406 -375.2495 763137.6813 -15.5193 -15.3493 PRESSURE: 3588800 63.6992 56.8401 136.04 56.8409 -87.2253 -33.3535 136.039 -33.3533 102.694 GPRESSURE: 3588800 87.5764 52.4068 97.7508 -16.5106 8.14296 -87.2048 151.639 -101.99 74.9734 PRESSAVG: 3588800 13.2832 19.4938 -17.6462 19.4937 -10.8755 -20.9295 -17.6462 -20.9295 5.79152 GPRESSAVG: 3588800 13.4838 19.3027 -18.2323 19.2312 -11.2781 -21.5231 -18.1981 -20.8781 5.87527 TIMING: 3588800 CPU: 11211.9, 0.00312514/step Wall: 11211.9, 0.00312514/step, 1.22506 hours remaining, 234.769531 MB of memory in use. ENERGY: 3588800 4011.5449 20331.6027 14416.3814 242.2517 -202889.1914 2528.5190 0.0000 0.0000 52068.0068 -109290.8849 299.2356 -161358.8917 -108931.5794 299.2698 26.3892 56.8976 761317.0229 2.7331 2.6937 PRESSURE: 3589000 -292.804 -18.1922 24.3201 -18.192 -40.1635 -127.744 24.3196 -127.746 -13.9607 GPRESSURE: 3589000 -222.255 -4.9704 64.4302 25.7901 10.9224 -176.925 -59.7248 3.92903 -42.5211 PRESSAVG: 3589000 -62.3494 -24.5552 20.0084 -24.5552 44.5484 -28.0141 20.0083 -28.014 23.0988 GPRESSAVG: 3589000 -62.381 -25.7789 21.4864 -23.712 45.5969 -26.8591 19.1097 -29.338 22.2389 TIMING: 3589000 CPU: 11212.5, 0.00311148/step Wall: 11212.5, 0.00311148/step, 1.21953 hours remaining, 234.769531 MB of memory in use. ENERGY: 3589000 4043.7841 20420.7958 14435.2814 254.7238 -203080.4310 2639.1369 0.0000 0.0000 51911.9085 -109374.8005 298.3385 -161286.7090 -109016.2103 299.1393 -115.6428 -84.6180 761152.0749 1.7660 1.8183 PRESSURE: 3589200 122.393 -59.0803 7.52792 -59.0815 -12.0544 84.6877 7.52918 84.6878 -87.9037 GPRESSURE: 3589200 166.89 -33.5631 -10.7137 -199.247 -0.888335 124.531 19.0277 83.5564 -45.9428 PRESSAVG: 3589200 -14.7219 31.0049 49.523 31.0048 21.7315 13.3231 49.523 13.323 19.4193 GPRESSAVG: 3589200 -16.3725 32.647 47.9774 31.277 22.3352 10.2605 49.1643 13.4396 20.8712 TIMING: 3589200 CPU: 11213.1, 0.00311694/step Wall: 11213.1, 0.00311694/step, 1.22149 hours remaining, 234.769531 MB of memory in use. ENERGY: 3589200 3984.2855 20439.3572 14389.9610 223.0934 -202582.8172 2209.0270 0.0000 0.0000 52110.9808 -109226.1122 299.4825 -161337.0931 -108873.0714 298.9675 7.4783 40.0195 762791.6652 8.8096 8.9446 PRESSURE: 3589400 -97.3932 -198.251 143.208 -198.249 -13.3024 152.991 143.207 152.99 -212.183 GPRESSURE: 3589400 -11.152 -199.573 113.312 -84.0522 -47.6234 148.104 86.777 123.317 -170.619 PRESSAVG: 3589400 -26.2742 -13.491 1.00904 -13.491 43.7646 -2.26781 1.00906 -2.26778 13.0668 GPRESSAVG: 3589400 -25.7582 -13.5031 1.7831 -12.0979 43.6275 0.877096 0.992869 -2.65868 12.4536 TIMING: 3589400 CPU: 11213.8, 0.00312116/step Wall: 11213.8, 0.00312116/step, 1.22298 hours remaining, 234.769531 MB of memory in use. ENERGY: 3589400 4077.4886 20471.6057 14404.2636 271.3646 -203049.5340 2524.5441 0.0000 0.0000 52116.6073 -109183.6602 299.5149 -161300.2674 -108824.5309 299.2576 -107.6261 -76.4647 761682.8342 10.1857 10.1076 PRESSURE: 3589600 -84.9045 128.847 10.2583 128.848 -301.36 -161.216 10.2577 -161.216 305.507 GPRESSURE: 3589600 -60.9024 116.761 5.76737 64.5344 -166.514 -77.2542 -24.9971 -150.034 243.68 PRESSAVG: 3589600 -1.81581 -20.0346 25.1575 -20.0345 11.1208 24.9547 25.1574 24.9547 19.1163 GPRESSAVG: 3589600 -1.98508 -19.9111 24.5382 -22.6347 11.2919 24.1992 25.2704 25.1465 19.2359 TIMING: 3589600 CPU: 11214.4, 0.00312123/step Wall: 11214.4, 0.00312123/step, 1.22283 hours remaining, 234.769531 MB of memory in use. ENERGY: 3589600 4050.9537 20636.5295 14425.3941 238.5035 -202942.0827 2498.3675 0.0000 0.0000 51822.2593 -109270.0750 297.8232 -161092.3343 -108920.7507 299.2725 -26.9191 5.4213 760922.3523 9.4738 9.5142 PRESSURE: 3589800 133.434 26.2843 -47.181 26.2835 80.1755 -77.0237 -47.1813 -77.0231 252.194 GPRESSURE: 3589800 220.643 67.5232 -131.763 -137.621 106.343 -63.5676 89.3218 -57.0794 222.577 PRESSAVG: 3589800 24.873 -44.1466 0.19185 -44.1465 -35.5175 -19.6661 0.19187 -19.6661 -19.8088 GPRESSAVG: 3589800 25.8009 -45.1491 1.51912 -42.6496 -35.5176 -19.8138 -1.86134 -19.7543 -21.1157 TIMING: 3589800 CPU: 11215, 0.00310661/step Wall: 11215, 0.00310661/step, 1.21693 hours remaining, 234.769531 MB of memory in use. ENERGY: 3589800 3941.1185 20585.2931 14470.4930 261.1116 -203093.2716 2686.4919 0.0000 0.0000 51835.7523 -109313.0112 297.9008 -161148.7635 -108946.8498 298.9565 155.2679 183.1876 762360.7968 -10.1511 -10.2775 PRESSURE: 3590000 299.895 33.8846 16.4341 33.8851 54.0423 22.7737 16.4341 22.7738 247.336 GPRESSURE: 3590000 367.665 -54.9028 19.7142 85.1213 68.6704 43.5276 28.0279 128.529 247.52 PRESSAVG: 3590000 10.3387 -25.5055 -35.4777 -25.5055 3.43724 3.04652 -35.4777 3.04657 -12.3338 GPRESSAVG: 3590000 9.68875 -26.6835 -36.5081 -24.8495 3.29552 2.97779 -31.9911 4.57931 -11.4582 TIMING: 3590000 CPU: 11215.6, 0.00313683/step Wall: 11215.6, 0.00313683/step, 1.22859 hours remaining, 234.769531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3590000 3999.9224 20508.9104 14474.6435 242.9215 -203134.1998 2579.4039 0.0000 0.0000 52139.0626 -109189.3355 299.6439 -161328.3981 -108826.8875 299.2527 200.4243 227.9519 760929.8353 0.4807 0.5087 PRESSURE: 3590200 -54.3959 -31.371 276.143 -31.3711 122.659 262.223 276.143 262.222 173.374 GPRESSURE: 3590200 -56.9298 56.8226 302.877 -7.67966 175.146 364.43 271.267 144.758 201.771 PRESSAVG: 3590200 0.697491 30.9842 49.2884 30.9842 -37.538 -4.04445 49.2883 -4.04444 14.2861 GPRESSAVG: 3590200 1.32921 31.5676 50.1031 31.0519 -36.7985 -3.67581 45.3499 -6.12054 12.9601 TIMING: 3590200 CPU: 11216.3, 0.00311975/step Wall: 11216.3, 0.00311975/step, 1.22173 hours remaining, 234.769531 MB of memory in use. ENERGY: 3590200 4018.6791 20538.1822 14439.7846 239.3352 -203217.0060 2802.9999 0.0000 0.0000 52038.0775 -109139.9473 299.0635 -161178.0248 -108774.8504 299.4589 80.5456 106.6623 763017.5082 -7.5181 -7.5030 PRESSURE: 3590400 -228.722 140.046 -273.062 140.046 348.615 27.8623 -273.062 27.8629 1.2958 GPRESSURE: 3590400 -151.151 270.216 -252.787 38.297 326.724 30.3077 -125.129 77.0715 47.9576 PRESSAVG: 3590400 17.1805 -7.76795 -1.24191 -7.76796 -24.3454 -55.6049 -1.2419 -55.6049 -5.76601 GPRESSAVG: 3590400 16.4909 -6.33377 -3.37149 -9.20321 -25.31 -56.5888 0.553908 -53.683 -4.35337 TIMING: 3590400 CPU: 11216.9, 0.00312215/step Wall: 11216.9, 0.00312215/step, 1.2225 hours remaining, 234.769531 MB of memory in use. ENERGY: 3590400 3905.3107 20428.8202 14442.1587 253.0718 -202793.4572 2406.2581 0.0000 0.0000 52135.7540 -109222.0837 299.6249 -161357.8376 -108857.1098 299.3041 40.3963 74.5102 762213.6329 -4.3103 -4.3908 PRESSURE: 3590600 220.08 17.4772 57.8671 17.4769 202.307 -493.298 57.8671 -493.298 -81.4708 GPRESSURE: 3590600 243.325 48.8717 81.703 -33.5053 183.927 -451.187 1.80138 -315.136 -11.6048 PRESSAVG: 3590600 21.0226 37.2545 36.6896 37.2545 -25.8013 -55.7496 36.6896 -55.7497 -25.5211 GPRESSAVG: 3590600 20.9552 37.1073 39.419 37.7277 -24.7243 -55.4983 36.9146 -54.6087 -26.6382 TIMING: 3590600 CPU: 11217.5, 0.00313972/step Wall: 11217.5, 0.00313972/step, 1.2292 hours remaining, 234.769531 MB of memory in use. ENERGY: 3590600 3979.8303 20331.9114 14425.5675 253.8384 -203158.0345 2758.0781 0.0000 0.0000 52217.1243 -109191.6845 300.0925 -161408.8087 -108828.2999 299.4984 113.6387 138.5489 762230.1510 -10.0999 -10.1358 PRESSURE: 3590800 471.084 -105.105 -16.4745 -105.104 -172.101 239.147 -16.475 239.146 131.725 GPRESSURE: 3590800 548.555 -152.705 -4.59933 33.1862 -188.344 288.382 21.6207 158.959 140.3 PRESSAVG: 3590800 38.9173 41.087 -10.7982 41.087 -32.661 -18.9845 -10.7982 -18.9845 -1.73395 GPRESSAVG: 3590800 38.9191 38.6976 -12.4006 43.3394 -33.9254 -19.3687 -11.6565 -21.075 -0.796429 TIMING: 3590800 CPU: 11218.1, 0.00312157/step Wall: 11218.1, 0.00312157/step, 1.22192 hours remaining, 234.769531 MB of memory in use. ENERGY: 3590800 4010.0470 20415.6037 14376.1768 247.8972 -203350.3519 2882.5655 0.0000 0.0000 52325.9125 -109092.1492 300.7177 -161418.0617 -108733.5047 299.1348 143.5692 166.8374 763915.5867 1.5075 1.3991 PRESSURE: 3591000 -129.084 103.229 -18.5509 103.229 45.3886 -34.4516 -18.5506 -34.452 -510.858 GPRESSURE: 3591000 -80.1704 228.666 -37.1213 59.9931 45.0874 81.6749 63.1946 -32.1514 -478.002 PRESSAVG: 3591000 77.0361 26.9396 9.29442 26.9396 -67.6556 22.573 9.29441 22.573 -33.7276 GPRESSAVG: 3591000 77.2265 28.7326 9.1739 25.1056 -68.055 24.7257 9.62716 20.8745 -33.365 TIMING: 3591000 CPU: 11218.8, 0.00315463/step Wall: 11218.8, 0.00315463/step, 1.23469 hours remaining, 234.769531 MB of memory in use. ENERGY: 3591000 4088.7433 20329.7483 14445.5128 244.9871 -202577.8863 2336.5100 0.0000 0.0000 52063.4118 -109068.9730 299.2091 -161132.3848 -108713.4696 299.3229 -198.1844 -171.0285 764311.0888 -8.1157 -8.0645 PRESSURE: 3591200 -76.2956 -10.4211 181.474 -10.4212 -25.6097 84.8526 181.474 84.8528 -54.6293 GPRESSURE: 3591200 -69.8591 22.2518 154.347 -21.6049 37.07 92.8881 254.906 8.74628 -30.4139 PRESSAVG: 3591200 24.4369 40.0677 8.34475 40.0676 -0.773209 15.2135 8.34478 15.2136 1.66037 GPRESSAVG: 3591200 25.0896 39.9791 9.82709 38.5969 -0.806182 14.5749 9.09022 16.6205 0.718662 TIMING: 3591200 CPU: 11219.4, 0.0031688/step Wall: 11219.4, 0.0031688/step, 1.24006 hours remaining, 234.769531 MB of memory in use. ENERGY: 3591200 4052.3077 20586.5527 14427.2333 252.1927 -202672.7848 2418.6166 0.0000 0.0000 51841.8663 -109094.0155 297.9359 -160935.8817 -108737.4219 299.6822 -52.1782 -21.0677 762290.9770 8.4414 8.3340 PRESSURE: 3591400 -241.737 -19.3939 143.58 -19.3941 95.4084 71.5951 143.58 71.5941 271.765 GPRESSURE: 3591400 -139.668 -52.2611 166.217 50.8193 114.129 168.751 103.099 96.8663 246.323 PRESSAVG: 3591400 17.0252 8.5083 64.9616 8.50831 38.4773 22.6699 64.9616 22.6699 2.64672 GPRESSAVG: 3591400 17.4383 7.65798 62.3666 11.7077 38.5031 21.6379 65.7163 21.5052 2.06256 TIMING: 3591400 CPU: 11220, 0.0031257/step Wall: 11220, 0.0031257/step, 1.22302 hours remaining, 234.769531 MB of memory in use. ENERGY: 3591400 3894.6423 20399.9691 14463.5546 253.7642 -202376.7423 2324.3510 0.0000 0.0000 51887.4995 -109152.9616 298.1982 -161040.4611 -108791.3174 298.9974 41.8121 73.5946 763423.4900 19.3831 19.3347 PRESSURE: 3591600 -145.072 114.045 -42.2624 114.045 -90.1014 -63.5133 -42.2626 -63.5127 58.4899 GPRESSURE: 3591600 -129.185 106.442 68.0323 130.468 -15.2634 -133.349 -72.4991 -41.461 63.0398 PRESSAVG: 3591600 -6.08125 -8.98837 47.0559 -8.98845 19.8338 -36.9052 47.0559 -36.9052 -2.03968 GPRESSAVG: 3591600 -8.05922 -7.74968 48.7868 -10.4772 20.9076 -37.6433 43.7315 -36.944 -1.71749 TIMING: 3591600 CPU: 11220.6, 0.0031297/step Wall: 11220.6, 0.0031297/step, 1.22441 hours remaining, 235.027344 MB of memory in use. ENERGY: 3591600 3898.9631 20509.1250 14448.2481 256.5675 -202851.2983 2557.4730 0.0000 0.0000 52075.2410 -109105.6805 299.2771 -161180.9216 -108743.0780 299.1313 -58.8945 -27.1361 761018.7041 3.9043 3.7103 PRESSURE: 3591800 108.27 110.386 222.438 110.386 -153.21 80.9365 222.436 80.9353 98.0516 GPRESSURE: 3591800 89.2637 131.535 285.192 33.8761 -153.595 108.262 192.435 122.762 197.082 PRESSAVG: 3591800 44.6716 17.7111 26.1708 17.711 -37.7228 -27.4469 26.1708 -27.4468 -29.6066 GPRESSAVG: 3591800 43.5651 15.8976 26.4615 20.2672 -37.4202 -25.7449 28.4805 -26.3225 -28.8027 TIMING: 3591800 CPU: 11221.3, 0.00312328/step Wall: 11221.3, 0.00312328/step, 1.22172 hours remaining, 235.027344 MB of memory in use. ENERGY: 3591800 3918.7487 20337.5026 14438.0627 246.3056 -202783.9910 2508.7850 0.0000 0.0000 52258.7864 -109075.7999 300.3320 -161334.5863 -108712.6484 299.2139 17.7040 44.2503 762661.1179 -7.5526 -7.5526 PRESSURE: 3592000 72.9577 119.039 -3.30054 119.04 108.555 97.4822 -3.29937 97.4806 101.205 GPRESSURE: 3592000 135.461 78.3784 73.0189 101.694 71.1242 73.34 -55.6543 18.2152 148.388 PRESSAVG: 3592000 -14.6289 33.8593 -3.53601 33.8593 -13.5763 2.00302 -3.53599 2.00295 4.26982 GPRESSAVG: 3592000 -14.1605 34.2549 -3.01037 31.4237 -13.955 1.22725 -2.50466 -1.35881 3.80886 TIMING: 3592000 CPU: 11221.9, 0.00312796/step Wall: 11221.9, 0.00312796/step, 1.22338 hours remaining, 235.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3592000 3961.4980 20632.0709 14387.6674 257.7215 -203196.8075 2796.0199 0.0000 0.0000 52092.1122 -109069.7178 299.3741 -161161.8300 -108720.2935 299.5965 94.2391 118.3245 763387.3585 -7.9785 -8.1022 PRESSURE: 3592200 -354.315 280.715 57.281 280.715 -121.092 -83.7979 57.2802 -83.7974 -512.233 GPRESSURE: 3592200 -391.063 177.308 56.704 334.468 -113.512 -72.6462 -4.67185 -71.1078 -419.657 PRESSAVG: 3592200 -41.4424 26.6603 -7.63908 26.6603 -10.2464 -30.127 -7.63902 -30.127 0.760416 GPRESSAVG: 3592200 -39.8019 27.7851 -8.58056 25.7527 -11.5906 -28.4856 -7.55713 -27.6634 0.692451 TIMING: 3592200 CPU: 11222.5, 0.00311911/step Wall: 11222.5, 0.0031191/step, 1.21974 hours remaining, 235.027344 MB of memory in use. ENERGY: 3592200 4038.2635 20646.3157 14428.9362 268.0208 -202207.1511 1916.7369 0.0000 0.0000 51885.8289 -109023.0492 298.1886 -160908.8781 -108656.5396 299.0413 -329.2131 -308.0775 762582.1784 -16.9761 -16.9000 LDB: ============= START OF LOAD BALANCING ============== 11235 LDB: ============== END OF LOAD BALANCING =============== 11235 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11235 LDB: ============= START OF LOAD BALANCING ============== 11235.3 LDB: Largest compute 7070 load 0.027458 is 14.1% of average load 0.195149 LDB: Average compute 0.004380 is 2.2% of average load 0.195149 LDB: TIME 11235.3 LOAD: AVG 0.195149 MAX 0.214834 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.516 MB LDB: TIME 11235.3 LOAD: AVG 0.195149 MAX 0.214834 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.586 MB LDB: TIME 11235.3 LOAD: AVG 0.195149 MAX 0.214834 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.586 MB LDB: ============== END OF LOAD BALANCING =============== 11235.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11235.3 PRESSURE: 3592400 -293.541 119.762 -221.061 119.762 -106.83 142.486 -221.061 142.486 -346.536 GPRESSURE: 3592400 -277.755 188.671 -196.144 160.566 -118.892 261.862 -182.409 83.8287 -258.044 PRESSAVG: 3592400 0.376292 29.4665 55.8152 29.4665 -13.0237 -8.61901 55.8153 -8.61907 27.2434 GPRESSAVG: 3592400 -2.07102 29.8565 54.6239 29.8342 -11.354 -7.709 55.0076 -11.4048 27.8412 TIMING: 3592400 CPU: 11223.2, 0.00317108/step Wall: 11223.2, 0.00317108/step, 1.23989 hours remaining, 234.054688 MB of memory in use. ENERGY: 3592400 4031.3313 20583.2091 14405.0870 243.4431 -202409.4449 2219.0921 0.0000 0.0000 51936.8125 -108990.4697 298.4816 -160927.2823 -108636.4752 299.4491 -248.9692 -218.2305 762923.0692 4.8653 4.8054 PRESSURE: 3592600 -320.14 3.71804 76.701 3.71864 -193.535 107.032 76.7007 107.032 37.6333 GPRESSURE: 3592600 -216.819 32.6636 131.77 18.4909 -200.392 136.13 -29.6069 150.342 29.7435 PRESSAVG: 3592600 -36.5918 -6.91592 69.0119 -6.91596 68.2666 -75.1804 69.012 -75.1804 3.77213 GPRESSAVG: 3592600 -35.1731 -7.04012 69.6879 -6.11384 67.2053 -76.4057 68.484 -74.3221 3.56548 TIMING: 3592600 CPU: 11223.8, 0.00313613/step Wall: 11223.8, 0.00313613/step, 1.22605 hours remaining, 234.054688 MB of memory in use. ENERGY: 3592600 3935.9929 20567.3752 14446.6821 226.2428 -202622.7974 2113.0030 0.0000 0.0000 52269.6479 -109063.8535 300.3944 -161333.5014 -108695.0379 299.6233 -158.6804 -129.1559 763482.0087 11.8156 11.8659 PRESSURE: 3592800 -243.078 -146.483 48.2582 -146.484 -213.648 -269.007 48.2584 -269.006 -218.069 GPRESSURE: 3592800 -236.218 -231.897 18.3651 -21.7847 -118.64 -302.72 6.73044 -235 -235.362 PRESSAVG: 3592800 -89.5385 -60.2791 2.33527 -60.2791 56.1122 -25.6771 2.33529 -25.6772 10.8846 GPRESSAVG: 3592800 -89.1843 -60.6526 1.06869 -60.4109 55.6718 -25.527 4.5669 -24.8887 10.1276 TIMING: 3592800 CPU: 11224.4, 0.00312687/step Wall: 11224.4, 0.00312687/step, 1.22226 hours remaining, 234.054688 MB of memory in use. ENERGY: 3592800 3988.3436 20369.5781 14460.7327 235.8403 -202946.2150 2465.3132 0.0000 0.0000 52142.6999 -109283.7074 299.6648 -161426.4072 -108922.3745 299.1831 -224.9319 -196.7401 761571.3048 -7.5139 -7.7950 PRESSURE: 3593000 -125.711 245.224 -74.638 245.224 303.451 32.8145 -74.6395 32.8143 -193.853 GPRESSURE: 3593000 -97.6825 245.034 -107.503 125.469 272.167 7.76541 -27.2457 145.401 -127.337 PRESSAVG: 3593000 -28.5078 10.0735 -51.6317 10.0736 31.5842 -39.5566 -51.6317 -39.5566 -29.1635 GPRESSAVG: 3593000 -28.0692 10.119 -49.3092 9.43595 30.4339 -40.9279 -53.9727 -38.3144 -28.5597 TIMING: 3593000 CPU: 11225, 0.00313026/step Wall: 11225, 0.00313026/step, 1.22341 hours remaining, 234.054688 MB of memory in use. ENERGY: 3593000 3971.9273 20510.5605 14501.7071 240.5742 -203034.9776 2433.1867 0.0000 0.0000 52120.2005 -109256.8212 299.5355 -161377.0217 -108900.3816 298.9295 -5.3711 15.7157 762579.4250 -8.6957 -8.7317 PRESSURE: 3593200 37.0472 -23.2557 97.8195 -23.2554 306.978 35.5917 97.8195 35.5915 5.54642 GPRESSURE: 3593200 24.4814 -43.7292 64.4185 18.1393 434.721 25.6165 199.967 -36.581 -44.5367 PRESSAVG: 3593200 -15.8337 23.1574 31.2988 23.1573 23.718 29.1551 31.2987 29.1551 -7.80143 GPRESSAVG: 3593200 -18.0929 19.9864 29.6439 25.4198 25.9961 29.1701 33.1077 27.8842 -7.4517 TIMING: 3593200 CPU: 11225.7, 0.00313908/step Wall: 11225.7, 0.00313908/step, 1.22668 hours remaining, 234.054688 MB of memory in use. ENERGY: 3593200 4003.6936 20393.1219 14450.4322 224.3535 -203112.7503 2787.4325 0.0000 0.0000 52006.5855 -109247.1312 298.8826 -161253.7167 -108887.2890 298.9697 116.5239 138.2218 761961.7884 0.0276 0.1505 PRESSURE: 3593400 269.422 -1.26402 -50.6365 -1.26368 -67.8569 209.252 -50.6358 209.252 -17.1251 GPRESSURE: 3593400 281.996 -75.4074 -77.6 74.8113 -30.5943 208.231 -30.5599 176.998 35.2412 PRESSAVG: 3593400 13.8223 26.0138 25.4864 26.0138 4.85187 21.0144 25.4863 21.0144 -19.6907 GPRESSAVG: 3593400 14.4674 28.2605 25.5598 23.6104 3.54031 22.9736 24.8081 20.5678 -19.454 TIMING: 3593400 CPU: 11226.3, 0.0031588/step Wall: 11226.3, 0.0031588/step, 1.23421 hours remaining, 234.054688 MB of memory in use. ENERGY: 3593400 3936.6790 20352.4700 14463.4450 240.3394 -202977.9945 2712.8268 0.0000 0.0000 51927.0016 -109345.2327 298.4252 -161272.2343 -108984.0035 298.8489 61.4799 95.5477 762974.5496 -0.3388 -0.4821 PRESSURE: 3593600 25.0712 -55.1558 -183.334 -55.1562 -146.113 -132.288 -183.334 -132.288 450.488 GPRESSURE: 3593600 52.1109 -8.61684 -221.355 -1.00418 3.95865 -193.877 -110.99 -133.958 370.221 PRESSAVG: 3593600 2.40881 -11.9794 -4.53353 -11.9795 7.35174 7.06625 -4.5335 7.06631 20.3885 GPRESSAVG: 3593600 5.10727 -10.1564 -5.10615 -12.0025 5.91567 4.57505 -3.28103 7.89548 19.5041 TIMING: 3593600 CPU: 11226.9, 0.0031271/step Wall: 11226.9, 0.0031271/step, 1.22165 hours remaining, 234.054688 MB of memory in use. ENERGY: 3593600 3851.7533 20487.7938 14401.5075 244.2640 -202947.9332 2692.4100 0.0000 0.0000 52170.1171 -109100.0875 299.8224 -161270.2046 -108750.1517 299.0193 109.8155 142.0967 763739.1753 10.0497 10.1757 PRESSURE: 3593800 -186.411 172.046 -41.1738 172.047 -351.112 39.342 -41.1733 39.3424 77.43 GPRESSURE: 3593800 -166.835 143.144 -42.8089 78.6004 -309.546 97.2745 -10.8302 43.0325 92.3618 PRESSAVG: 3593800 -18.5015 -36.8242 -8.62071 -36.8242 -6.43537 -12.973 -8.6206 -12.973 -3.98633 GPRESSAVG: 3593800 -20.2264 -38.5205 -7.65099 -36.4095 -4.58863 -12.7482 -7.67435 -14.5248 -4.58733 TIMING: 3593800 CPU: 11227.5, 0.00311296/step Wall: 11227.5, 0.00311296/step, 1.21596 hours remaining, 234.054688 MB of memory in use. ENERGY: 3593800 3929.2615 20528.7041 14473.1655 252.8120 -202974.9605 2535.8118 0.0000 0.0000 52140.0510 -109115.1546 299.6496 -161255.2056 -108755.2630 298.8730 -153.3644 -128.0065 764168.2121 -9.6411 -9.8008 PRESSURE: 3594000 287.357 -60.8596 428.726 -60.8598 352.654 -34.1586 428.727 -34.1601 -12.9076 GPRESSURE: 3594000 381.668 48.7758 424.587 -150.275 303.507 -44.1733 140.671 3.28761 31.3855 PRESSAVG: 3594000 -68.9208 -55.9649 -6.4924 -55.9648 31.4647 2.61902 -6.49234 2.61901 -23.884 GPRESSAVG: 3594000 -68.4915 -55.157 -6.77778 -55.589 30.681 4.30828 -8.93087 4.35232 -23.269 TIMING: 3594000 CPU: 11228.2, 0.00313964/step Wall: 11228.2, 0.00313964/step, 1.2262 hours remaining, 234.054688 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: 3594000 4039.1551 20490.6791 14468.7173 258.4500 -203290.4544 2789.1681 0.0000 0.0000 52051.7345 -109192.5503 299.1420 -161244.2848 -108831.4250 299.3426 209.0347 238.8537 762080.8122 -20.4467 -20.3598 PRESSURE: 3594200 69.9148 -127.133 130.631 -127.132 248.18 101.998 130.631 101.998 119.948 GPRESSURE: 3594200 124.496 -143.426 71.7888 -52.2448 236.054 146.821 288.183 37.8834 174.192 PRESSAVG: 3594200 -10.4567 -31.3627 -10.8771 -31.3628 -2.08932 -19.4977 -10.8771 -19.4977 -3.36078 GPRESSAVG: 3594200 -11.6809 -30.4973 -9.57237 -33.2154 -0.786708 -19.9361 -11.5213 -20.5709 -3.38216 TIMING: 3594200 CPU: 11228.8, 0.00315888/step Wall: 11228.8, 0.00315888/step, 1.23354 hours remaining, 234.054688 MB of memory in use. ENERGY: 3594200 4008.5446 20530.4671 14503.9556 233.9230 -203441.6597 2837.2281 0.0000 0.0000 52245.0930 -109082.4481 300.2533 -161327.5412 -108724.3881 299.4210 146.0144 178.2474 761891.1767 -5.3023 -5.2832 PRESSURE: 3594400 273.286 -141.071 -35.6891 -141.07 156.633 -102.138 -35.6887 -102.137 288.448 GPRESSURE: 3594400 225.399 -160.569 -24.0491 -65.6621 185.884 10.5626 -204.507 -174.832 373.918 PRESSAVG: 3594400 45.2111 -57.3583 2.14338 -57.3583 -83.3334 0.867389 2.14337 0.867402 -17.6253 GPRESSAVG: 3594400 45.8493 -58.5741 1.70833 -55.6384 -84.3601 1.23078 3.63213 0.735168 -17.0864 TIMING: 3594400 CPU: 11229.4, 0.00317142/step Wall: 11229.4, 0.00317142/step, 1.23826 hours remaining, 234.054688 MB of memory in use. ENERGY: 3594400 3979.0142 20702.0148 14466.6013 251.5955 -203464.2401 2892.7357 0.0000 0.0000 52088.0364 -109084.2423 299.3507 -161172.2787 -108719.6939 299.6491 239.4556 261.7333 760629.5956 -18.5825 -18.5324 PRESSURE: 3594600 -31.9792 -92.0734 -122.05 -92.0735 -191.385 -451.903 -122.05 -451.903 290.863 GPRESSURE: 3594600 42.4693 -277.402 -173.77 -80.1996 -131.457 -404.182 -53.4252 -366.677 250.857 PRESSAVG: 3594600 -4.01229 -33.6735 -37.5817 -33.6734 27.9817 -83.775 -37.5817 -83.7751 -6.30074 GPRESSAVG: 3594600 -3.747 -33.7835 -36.5089 -33.455 29.0164 -84.5449 -40.9847 -81.8869 -7.82081 TIMING: 3594600 CPU: 11230.1, 0.00314271/step Wall: 11230.1, 0.00314271/step, 1.22688 hours remaining, 234.054688 MB of memory in use. ENERGY: 3594600 3908.6379 20336.7078 14472.9138 244.6870 -203048.1817 2766.0106 0.0000 0.0000 52201.5138 -109117.7108 300.0028 -161319.2246 -108746.5602 299.7469 22.4995 53.9564 762720.7010 5.8895 5.8162 PRESSURE: 3594800 -241.924 108.081 -134.136 108.08 -30.4002 -119.833 -134.135 -119.833 -40.6559 GPRESSURE: 3594800 -46.9342 121.224 -86.9586 22.195 -141.935 -52.5777 -65.0805 -19.943 -45.5032 PRESSAVG: 3594800 -3.0646 -20.4968 -17.9213 -20.4968 3.638 3.76226 -17.9213 3.76233 -13.864 GPRESSAVG: 3594800 -2.61013 -20.0547 -17.1904 -20.1126 2.4398 5.34912 -16.0165 1.02184 -13.5422 TIMING: 3594800 CPU: 11230.7, 0.00314841/step Wall: 11230.7, 0.00314841/step, 1.22893 hours remaining, 234.054688 MB of memory in use. ENERGY: 3594800 3981.9162 20501.3913 14409.5981 260.1538 -202878.8132 2666.6160 0.0000 0.0000 51934.5243 -109124.6137 298.4684 -161059.1380 -108765.3279 299.3594 -104.3268 -78.1241 762070.3486 -4.4302 -4.5708 PRESSURE: 3595000 342.696 291.509 228.534 291.51 210.584 49.8773 228.533 49.8771 281.859 GPRESSURE: 3595000 363.738 322.704 255.93 224.608 206.487 40.5161 117.921 94.9836 370.989 PRESSAVG: 3595000 17.8957 -45.5823 -30.2944 -45.5824 -30.9084 3.28542 -30.2943 3.28536 0.761386 GPRESSAVG: 3595000 16.6186 -46.6039 -32.6482 -45.7552 -29.6992 2.66463 -31.488 4.15099 1.28585 TIMING: 3595000 CPU: 11231.3, 0.00315758/step Wall: 11231.3, 0.00315758/step, 1.23233 hours remaining, 234.054688 MB of memory in use. ENERGY: 3595000 3928.1775 20504.8673 14463.4843 239.5512 -203134.9207 2579.8594 0.0000 0.0000 52106.8668 -109312.1142 299.4589 -161418.9810 -108949.8444 299.2436 278.3799 313.7378 760210.3007 -4.0838 -3.9316 PRESSURE: 3595200 -193.572 4.73716 -0.384441 4.73667 232.733 -113.757 -0.383729 -113.755 48.1497 GPRESSURE: 3595200 -125.815 -75.7674 105.798 -64.2884 239.105 -87.2733 92.5788 -15.5959 56.7308 PRESSAVG: 3595200 8.17314 25.7929 -14.0421 25.7929 42.8172 1.67281 -14.0421 1.67287 -11.7157 GPRESSAVG: 3595200 8.5182 26.9898 -14.2609 23.7815 42.9008 0.113502 -11.1087 4.15479 -12.121 TIMING: 3595200 CPU: 11232, 0.00314814/step Wall: 11232, 0.00314814/step, 1.22847 hours remaining, 234.054688 MB of memory in use. ENERGY: 3595200 4054.1141 20469.6270 14446.6016 228.5046 -202929.6118 2459.2629 0.0000 0.0000 52074.5339 -109196.9676 299.2731 -161271.5016 -108838.9586 299.3302 29.1034 56.6738 761519.1699 13.0916 13.0993 PRESSURE: 3595400 84.1358 60.26 -36.4276 60.2608 342.202 202.691 -36.427 202.691 -340.561 GPRESSURE: 3595400 134.16 14.5647 -15.9654 -20.6818 391.114 144.649 -68.2048 222.408 -348.544 PRESSAVG: 3595400 -27.7553 3.08265 36.0489 3.08261 37.3007 -12.5038 36.0488 -12.5039 -12.7464 GPRESSAVG: 3595400 -27.3076 3.23901 37.2115 3.59456 36.6685 -11.0828 34.06 -14.16 -12.504 TIMING: 3595400 CPU: 11232.6, 0.00317021/step Wall: 11232.6, 0.00317021/step, 1.23691 hours remaining, 234.054688 MB of memory in use. ENERGY: 3595400 3963.4561 20453.0966 14414.7143 252.9725 -202788.8550 2570.9776 0.0000 0.0000 51885.3617 -109248.2761 298.1859 -161133.6378 -108890.9363 298.9730 28.5923 58.9098 762175.4822 -1.0670 -1.0477 PRESSURE: 3595600 315.306 -152.246 19.2714 -152.247 -79.0251 -232.136 19.2713 -232.136 -25.0159 GPRESSURE: 3595600 340.657 -209.014 1.98151 -145.514 -36.492 -133.851 10.811 -242.086 -11.3738 PRESSAVG: 3595600 32.1943 -8.36008 61.8045 -8.36008 4.46431 -16.7802 61.8044 -16.7802 28.1953 GPRESSAVG: 3595600 30.2998 -9.02961 61.0843 -8.97718 5.0919 -16.6677 62.2496 -16.5383 29.8907 TIMING: 3595600 CPU: 11233.2, 0.00316406/step Wall: 11233.2, 0.00316406/step, 1.23433 hours remaining, 234.054688 MB of memory in use. ENERGY: 3595600 4044.7334 20558.3799 14498.0918 253.8619 -203464.5589 2818.6971 0.0000 0.0000 52186.5898 -109104.2050 299.9170 -161290.7948 -108737.5550 299.4904 70.4217 97.5972 760813.9185 21.6180 21.7608 PRESSURE: 3595800 -180.217 62.5656 -339.564 62.5648 -233.09 115.493 -339.564 115.494 32.16 GPRESSURE: 3595800 -174.672 147.145 -312.69 -45.9954 -148.012 87.8288 -194.346 191.652 22.401 PRESSAVG: 3595800 39.0805 -34.582 0.139787 -34.5821 -54.2472 26.0768 0.139775 26.0769 -5.70915 GPRESSAVG: 3595800 39.968 -33.4114 0.940617 -34.7989 -53.4898 24.9736 1.88357 27.4816 -7.7159 TIMING: 3595800 CPU: 11233.9, 0.00317708/step Wall: 11233.9, 0.00317708/step, 1.23924 hours remaining, 234.054688 MB of memory in use. ENERGY: 3595800 4042.4850 20649.0041 14423.6017 228.0330 -202779.6136 2475.4551 0.0000 0.0000 51858.2417 -109102.7931 298.0300 -160961.0348 -108750.3204 299.6087 -127.0491 -100.0942 762785.6951 -6.9586 -7.0792 PRESSURE: 3596000 327.731 -187.39 -110.894 -187.388 73.615 67.8499 -110.893 67.8496 353.389 GPRESSURE: 3596000 289.439 -136.038 -78.9802 -65.1708 142.188 -54.7832 -101.499 11.7169 398.055 PRESSAVG: 3596000 16.1994 -20.7803 -17.0968 -20.7803 -34.1781 -27.8471 -17.0967 -27.8471 3.38967 GPRESSAVG: 3596000 17.4767 -21.2756 -17.9902 -19.041 -34.9268 -28.1309 -17.7695 -28.9551 3.49283 TIMING: 3596000 CPU: 11234.5, 0.00316255/step Wall: 11234.5, 0.00316255/step, 1.23339 hours remaining, 234.054688 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: 3596000 3988.4181 20507.6019 14447.7909 210.8650 -203315.6386 2856.3110 0.0000 0.0000 52124.2267 -109180.4249 299.5586 -161304.6517 -108817.1931 299.5853 251.5785 276.5608 760632.1285 -4.8630 -4.6524 PRESSURE: 3596200 -25.7032 -230.984 -26.7891 -230.984 473.92 52.0567 -26.7896 52.0555 -304.94 GPRESSURE: 3596200 -26.6945 -117.085 -128.489 -204.826 514.785 39.3616 76.6748 -10.8931 -244.02 PRESSAVG: 3596200 12.1842 -38.2498 20.0574 -38.2498 -10.5146 -6.36778 20.0574 -6.36776 11.9985 GPRESSAVG: 3596200 11.064 -37.6017 19.3853 -38.8986 -9.82297 -6.29594 18.8174 -6.96523 12.7607 TIMING: 3596200 CPU: 11235.1, 0.00315525/step Wall: 11235.1, 0.00315525/step, 1.23037 hours remaining, 234.054688 MB of memory in use. ENERGY: 3596200 4011.1261 20658.1209 14483.8848 238.4319 -203244.2902 2584.9704 0.0000 0.0000 52052.7313 -109215.0248 299.1478 -161267.7561 -108857.9435 299.1968 47.7589 81.3567 761816.8771 4.5560 4.6672 LDB: ============= START OF LOAD BALANCING ============== 11247.6 LDB: ============== END OF LOAD BALANCING =============== 11247.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11247.6 LDB: ============= START OF LOAD BALANCING ============== 11247.9 LDB: Largest compute 7077 load 0.028638 is 14.7% of average load 0.195248 LDB: Average compute 0.004379 is 2.2% of average load 0.195248 LDB: TIME 11247.9 LOAD: AVG 0.195248 MAX 0.216577 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.055 MB LDB: TIME 11247.9 LOAD: AVG 0.195248 MAX 0.216577 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.055 MB LDB: TIME 11247.9 LOAD: AVG 0.195248 MAX 0.216577 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.055 MB LDB: ============== END OF LOAD BALANCING =============== 11247.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11247.9 PRESSURE: 3596400 -59.5471 202.177 -96.6945 202.177 -109.392 -25.4126 -96.6945 -25.4125 22.5874 GPRESSURE: 3596400 -96.1951 102.626 -62.5378 261.876 -38.2634 -114.027 -142.958 -38.4934 69.3036 PRESSAVG: 3596400 43.0932 14.1229 22.5654 14.1229 -22.928 53.1486 22.5653 53.1487 -29.6236 GPRESSAVG: 3596400 43.1379 11.2286 23.7949 13.4824 -22.0384 52.8909 24.2696 53.7709 -30.0839 TIMING: 3596400 CPU: 11235.8, 0.00324695/step Wall: 11235.8, 0.00324695/step, 1.26595 hours remaining, 233.542969 MB of memory in use. ENERGY: 3596400 3990.1479 20695.8970 14416.5739 246.0122 -203211.1178 2788.0422 0.0000 0.0000 51888.9889 -109185.4557 298.2067 -161074.4446 -108820.4730 299.1421 -48.7838 -21.7183 763709.6429 -3.1528 -2.9948 PRESSURE: 3596600 -302.007 81.2648 53.6342 81.2656 212.237 -185.892 53.6348 -185.893 412.661 GPRESSURE: 3596600 -303.496 207.953 46.7716 35.8733 264.09 -171.241 208.168 -231.45 454.013 PRESSAVG: 3596600 -35.5454 -10.0534 12.5794 -10.0534 36.9573 -4.72834 12.5794 -4.72828 41.2136 GPRESSAVG: 3596600 -34.6089 -7.67661 12.1754 -10.0349 35.9175 -4.95962 11.1004 -5.13981 41.3484 TIMING: 3596600 CPU: 11236.4, 0.00316624/step Wall: 11236.4, 0.00316624/step, 1.2343 hours remaining, 233.542969 MB of memory in use. ENERGY: 3596600 4022.1919 20569.3738 14456.8131 227.8879 -203107.3250 2787.0803 0.0000 0.0000 52063.0551 -108980.9229 299.2071 -161043.9780 -108618.5214 298.9961 107.6306 138.2025 763673.2314 14.2085 14.2190 PRESSURE: 3596800 293.59 -109.103 135.853 -109.103 148.855 -166.601 135.854 -166.601 261.071 GPRESSURE: 3596800 318.073 -114.487 168.297 -118.092 193.366 -172.41 62.916 -81.661 266.054 PRESSAVG: 3596800 33.2275 13.6569 27.6324 13.6569 12.1705 -4.79035 27.6324 -4.7904 11.6451 GPRESSAVG: 3596800 31.9206 14.4261 26.602 14.97 13.1584 -4.18546 28.7967 -7.1659 12.2852 TIMING: 3596800 CPU: 11237, 0.00314722/step Wall: 11237, 0.00314722/step, 1.22672 hours remaining, 233.542969 MB of memory in use. ENERGY: 3596800 3951.3590 20589.7909 14466.1409 253.5186 -203235.3970 2815.0885 0.0000 0.0000 51908.5468 -109250.9522 298.3191 -161159.4991 -108889.0551 299.4203 234.5054 259.1647 762329.7203 19.0143 19.1214 PRESSURE: 3597000 -2.02567 -116.832 -70.4889 -116.832 36.4677 -133.49 -70.4888 -133.49 -24.119 GPRESSURE: 3597000 32.5614 -141.478 -122.083 -136.213 -7.20793 -84.7504 -76.659 -58.4074 53.626 PRESSAVG: 3597000 69.0517 -30.5425 3.31672 -30.5424 4.423 -14.0536 3.31676 -14.0535 -3.48757 GPRESSAVG: 3597000 69.7939 -32.3943 3.60051 -31.1773 3.59141 -13.9371 0.830483 -11.6656 -3.28347 TIMING: 3597000 CPU: 11237.7, 0.0031384/step Wall: 11237.7, 0.0031384/step, 1.2231 hours remaining, 233.542969 MB of memory in use. ENERGY: 3597000 3908.9725 20531.7279 14396.7049 247.2700 -202801.7671 2274.5224 0.0000 0.0000 52128.4679 -109314.1015 299.5830 -161442.5694 -108936.8917 299.3379 3.4410 26.3265 762637.7117 23.3290 23.3673 PRESSURE: 3597200 -134.046 57.6377 -92.2174 57.6378 70.567 1.64249 -92.2172 1.64235 2.03211 GPRESSURE: 3597200 24.3253 30.134 -68.6605 95.2505 61.6377 -16.0047 -94.0957 -66.7586 -50.856 PRESSAVG: 3597200 11.9722 -38.0052 -30.747 -38.0052 -0.17452 -61.684 -30.7471 -61.684 10.1786 GPRESSAVG: 3597200 12.8087 -37.063 -31.0042 -37.1198 0.066547 -62.718 -30.4406 -62.4522 9.35503 TIMING: 3597200 CPU: 11238.3, 0.00315681/step Wall: 11238.3, 0.00315681/step, 1.2301 hours remaining, 233.542969 MB of memory in use. ENERGY: 3597200 3952.9450 20425.1313 14439.1518 254.3176 -203147.6604 2797.9851 0.0000 0.0000 52154.8631 -109123.2666 299.7347 -161278.1297 -108758.6960 299.2010 -20.4823 11.7023 764070.6151 7.3254 7.4101 PRESSURE: 3597400 105.804 -229.537 -187.968 -229.537 186.776 -201.52 -187.967 -201.519 153.289 GPRESSURE: 3597400 123.527 -171.276 -314.936 -361.892 279.021 -204.415 -2.68052 -164.523 129.302 PRESSAVG: 3597400 -87.0685 -11.4851 -56.1022 -11.4851 98.3092 -31.8943 -56.1022 -31.8944 -8.70687 GPRESSAVG: 3597400 -87.5044 -11.1271 -54.5064 -14.2851 98.9995 -30.4372 -54.91 -32.1208 -8.85745 TIMING: 3597400 CPU: 11238.9, 0.00314318/step Wall: 11238.9, 0.00314318/step, 1.22462 hours remaining, 233.542969 MB of memory in use. ENERGY: 3597400 3916.3169 20573.4019 14398.4225 237.6053 -203270.4598 2676.9150 0.0000 0.0000 52248.2836 -109219.5148 300.2716 -161467.7983 -108866.4997 299.3051 148.6229 177.2836 761763.8516 0.8446 0.8792 PRESSURE: 3597600 -213.798 48.4447 -28.6452 48.445 -16.7635 -58.5295 -28.6456 -58.5292 -484.95 GPRESSURE: 3597600 -219.994 57.5827 -83.172 116.605 18.8584 -64.9556 -66.8172 111.617 -428.787 PRESSAVG: 3597600 -71.7521 6.00559 -6.50442 6.00562 28.51 -48.0006 -6.50443 -48.0007 -19.9567 GPRESSAVG: 3597600 -73.2213 4.85506 -8.19435 9.25203 28.5153 -50.2348 -6.83197 -45.6235 -18.7121 TIMING: 3597600 CPU: 11239.5, 0.00313988/step Wall: 11239.5, 0.00313988/step, 1.22316 hours remaining, 233.542969 MB of memory in use. ENERGY: 3597600 4042.3681 20645.7271 14394.1267 244.6567 -202919.1881 2271.4581 0.0000 0.0000 52021.3517 -109299.4996 298.9674 -161320.8513 -108934.3030 299.2674 -238.5040 -209.9742 762146.4352 -21.0663 -21.1393 PRESSURE: 3597800 -314.952 174.448 -180.974 174.448 -121.765 113.605 -180.974 113.605 -289.933 GPRESSURE: 3597800 -143.409 49.4567 -197.936 148.761 -132.713 126.364 -148.26 62.5441 -347.338 PRESSAVG: 3597800 -60.4653 4.30027 -1.6627 4.30034 62.0282 23.3587 -1.66268 23.3586 -10.3453 GPRESSAVG: 3597800 -58.826 3.86124 -1.60781 3.70352 61.0814 24.3433 -1.31422 22.077 -11.2144 TIMING: 3597800 CPU: 11240.2, 0.00311113/step Wall: 11240.2, 0.00311113/step, 1.21179 hours remaining, 233.542969 MB of memory in use. ENERGY: 3597800 3942.3437 20589.0986 14424.1293 258.4187 -203057.4917 2503.2728 0.0000 0.0000 52099.7432 -109240.4853 299.4179 -161340.2285 -108870.9166 299.0491 -242.2167 -207.8201 762660.2327 -2.9275 -2.9863 PRESSURE: 3598000 104.897 160.869 -13.7291 160.871 -281.539 -36.4057 -13.729 -36.4052 6.03189 GPRESSURE: 3598000 139.522 141.903 3.58087 182.027 -196.209 2.89982 -85.6006 39.6223 -12.8485 PRESSAVG: 3598000 -51.4787 -4.59452 -49.7699 -4.59455 42.7079 -43.2602 -49.7699 -43.2601 -17.7284 GPRESSAVG: 3598000 -52.3389 -4.29775 -47.598 -4.82059 43.632 -43.1203 -52.1714 -43.2083 -18.3409 TIMING: 3598000 CPU: 11240.8, 0.00311854/step Wall: 11240.8, 0.00311854/step, 1.2145 hours remaining, 233.542969 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: 3598000 3941.5405 20391.1727 14427.8690 257.1892 -203239.4231 2658.0062 0.0000 0.0000 52268.4887 -109295.1567 300.3877 -161563.6455 -108923.0278 299.4228 -56.8701 -23.1784 761113.5596 -8.8331 -9.0159 PRESSURE: 3598200 -122.894 -36.4697 61.9702 -36.4699 49.5334 16.0174 61.9708 16.0164 -172.626 GPRESSURE: 3598200 -121.631 58.8086 104.753 26.7275 85.888 41.6504 172.231 80.0399 -144.518 PRESSAVG: 3598200 -23.0272 -0.628567 -20.1812 -0.628456 -14.9694 -30.417 -20.1812 -30.4171 14.9508 GPRESSAVG: 3598200 -22.82 1.4562 -22.8762 -1.19818 -16.0171 -29.4824 -16.7043 -29.9807 15.4309 TIMING: 3598200 CPU: 11241.4, 0.00312465/step Wall: 11241.4, 0.00312465/step, 1.21671 hours remaining, 233.542969 MB of memory in use. ENERGY: 3598200 4020.0199 20523.4193 14397.0206 268.5360 -203077.2439 2513.3385 0.0000 0.0000 52149.5361 -109205.3735 299.7041 -161354.9096 -108849.6200 299.5848 -81.9956 -60.0869 763070.4854 -7.6819 -7.8020 PRESSURE: 3598400 365.434 230.899 21.518 230.899 82.4059 33.6258 21.5188 33.6249 100.557 GPRESSURE: 3598400 392.422 251.599 63.5974 222.435 142.368 72.3448 -6.02497 52.0649 117.794 PRESSAVG: 3598400 4.87659 -21.6623 -53.845 -21.6624 -3.70678 4.07014 -53.845 4.07019 -0.0243515 GPRESSAVG: 3598400 5.12363 -22.9023 -52.2781 -22.1528 -2.81363 4.02949 -53.5664 3.23149 -0.520132 TIMING: 3598400 CPU: 11242, 0.00312604/step Wall: 11242, 0.00312604/step, 1.21707 hours remaining, 233.542969 MB of memory in use. ENERGY: 3598400 3923.1981 20450.5918 14430.2446 245.9049 -202929.6297 2782.2758 0.0000 0.0000 51894.1176 -109203.2969 298.2362 -161097.4145 -108835.5394 299.3878 182.7990 217.5279 762319.0276 0.3818 0.5966 PRESSURE: 3598600 166.4 210.752 -126.073 210.752 -399.598 98.8231 -126.073 98.8243 -125.291 GPRESSURE: 3598600 140.764 234.037 -44.7319 161.021 -321.33 -16.1123 -121.516 36.691 -96.4969 PRESSAVG: 3598600 22.2763 29.9183 -23.3817 29.9184 49.4299 -9.85798 -23.3817 -9.85786 7.54687 GPRESSAVG: 3598600 22.1917 30.2289 -23.2408 30.3991 48.7491 -10.1373 -26.0716 -11.2993 8.25293 TIMING: 3598600 CPU: 11242.7, 0.0031584/step Wall: 11242.7, 0.0031584/step, 1.22949 hours remaining, 233.542969 MB of memory in use. ENERGY: 3598600 4026.4686 20538.8012 14525.2359 223.6628 -203175.6353 2437.0098 0.0000 0.0000 51997.5400 -109426.9170 298.8306 -161424.4570 -109061.9311 299.0926 -119.4964 -92.3545 761303.8547 26.4177 26.3979 PRESSURE: 3598800 51.5389 49.3817 -254.031 49.3811 -208.635 20.7044 -254.031 20.7048 -275.806 GPRESSURE: 3598800 17.9386 -54.1661 -244.242 -5.72491 -214.89 -16.7071 -134.33 -147.919 -147.307 PRESSAVG: 3598800 -24.6318 25.6318 -31.9774 25.6318 3.3389 44.6247 -31.9774 44.6247 -5.90471 GPRESSAVG: 3598800 -25.0337 25.4488 -32.8983 25.6103 3.10672 43.8638 -29.5011 43.4438 -5.23692 TIMING: 3598800 CPU: 11243.3, 0.00315539/step Wall: 11243.3, 0.00315539/step, 1.22815 hours remaining, 233.542969 MB of memory in use. ENERGY: 3598800 3988.0667 20563.6213 14528.4823 244.5672 -203129.4276 2363.7261 0.0000 0.0000 52082.3271 -109358.6369 299.3178 -161440.9639 -108999.5124 298.9394 -144.3008 -114.7529 761737.9589 -9.0659 -9.0546 PRESSURE: 3599000 -428.325 -49.6598 -163.929 -49.6591 -40.1747 71.2398 -163.928 71.2408 133.591 GPRESSURE: 3599000 -185.806 -113.451 -152.94 2.88105 -94.084 54.1593 -112.661 78.2344 23.3101 PRESSAVG: 3599000 -37.2534 20.6244 -43.904 20.6245 0.651967 -25.6004 -43.904 -25.6004 -10.8441 GPRESSAVG: 3599000 -36.3888 18.0901 -43.5533 23.4479 1.95594 -25.2977 -45.8808 -23.3883 -12.2355 TIMING: 3599000 CPU: 11243.9, 0.0031325/step Wall: 11243.9, 0.0031325/step, 1.21907 hours remaining, 233.542969 MB of memory in use. ENERGY: 3599000 3916.9433 20416.6405 14478.4974 244.0727 -202669.9519 2350.6289 0.0000 0.0000 51962.6738 -109300.4952 298.6302 -161263.1691 -108940.5788 299.2864 -111.6361 -85.5268 762638.0335 -15.8152 -15.5561 PRESSURE: 3599200 417.822 -129.962 -75.8689 -129.962 19.9666 -100.596 -75.8682 -100.595 44.2255 GPRESSURE: 3599200 543.446 -105.857 -113.416 -87.6186 -9.78169 -147.218 -68.7734 -76.4551 17.1649 PRESSAVG: 3599200 -30.0614 -1.73283 -47.7435 -1.73283 49.2168 20.396 -47.7435 20.396 13.1251 GPRESSAVG: 3599200 -29.1904 0.609206 -47.745 -2.87091 48.2337 20.4523 -44.4324 21.7883 13.264 TIMING: 3599200 CPU: 11244.6, 0.00312133/step Wall: 11244.6, 0.00312133/step, 1.21454 hours remaining, 233.542969 MB of memory in use. ENERGY: 3599200 3937.9304 20651.3748 14467.6320 247.2354 -203216.0954 2770.8236 0.0000 0.0000 52093.7754 -109047.3239 299.3836 -161141.0993 -108691.0474 299.1225 160.6715 183.6099 762612.0402 10.7602 10.7691 PRESSURE: 3599400 97.0332 29.4282 17.3794 29.4282 6.53494 -44.7448 17.3794 -44.7448 65.4575 GPRESSURE: 3599400 87.5253 -139.424 -18.6549 58.8781 68.3881 -40.5802 -49.6869 108.375 109.538 PRESSAVG: 3599400 -21.2214 -52.4455 -52.0445 -52.4456 32.9667 -24.5532 -52.0445 -24.5532 -1.58479 GPRESSAVG: 3599400 -23.1763 -53.063 -50.5653 -53.3085 33.0914 -25.0038 -54.4297 -24.8892 -0.0707281 TIMING: 3599400 CPU: 11245.2, 0.00312995/step Wall: 11245.2, 0.00312995/step, 1.21773 hours remaining, 233.542969 MB of memory in use. ENERGY: 3599400 4050.5544 20353.8706 14445.9501 258.2848 -203344.0673 2975.1647 0.0000 0.0000 52376.2977 -108883.9450 301.0073 -161260.2427 -108524.2308 299.6522 56.3419 88.4838 761782.7651 3.3868 3.2815 PRESSURE: 3599600 -604.537 -84.5024 27.9086 -84.5026 -355.735 -247.852 27.9089 -247.852 -456.729 GPRESSURE: 3599600 -503.192 -129.679 133.865 -55.1892 -374.292 -291.253 13.1446 -68.4838 -464.647 PRESSAVG: 3599600 -26.4372 -41.8472 18.8116 -41.8473 73.6857 -14.9763 18.8117 -14.9761 10.822 GPRESSAVG: 3599600 -24.171 -42.9928 17.3632 -40.4946 72.8362 -14.3453 18.3924 -16.3649 9.30917 TIMING: 3599600 CPU: 11245.8, 0.00313569/step Wall: 11245.8, 0.00313569/step, 1.21978 hours remaining, 233.542969 MB of memory in use. ENERGY: 3599600 4072.5183 20613.5418 14506.5156 234.8747 -202768.3896 2281.1057 0.0000 0.0000 52178.0388 -108881.7946 299.8679 -161059.8335 -108512.6040 299.9240 -472.3338 -447.3772 762596.9345 19.3568 19.3248 PRESSURE: 3599800 -254.967 165.986 -91.8143 165.986 -88.5439 -110.604 -91.8143 -110.604 18.0858 GPRESSURE: 3599800 -234.339 113.618 -78.3914 28.5234 -43.4786 -89.9267 -201.88 9.8583 46.7564 PRESSAVG: 3599800 -2.0049 2.63097 -16.7435 2.63091 15.9099 -1.22565 -16.7434 -1.22575 5.55142 GPRESSAVG: 3599800 -2.71108 4.01215 -14.9545 2.10178 15.8744 0.642408 -19.5277 -1.66127 6.48241 TIMING: 3599800 CPU: 11246.4, 0.00315614/step Wall: 11246.4, 0.00315614/step, 1.22756 hours remaining, 233.542969 MB of memory in use. ENERGY: 3599800 3988.6235 20650.7663 14452.4684 249.0138 -202749.1174 2473.5063 0.0000 0.0000 52269.0485 -108665.6906 300.3909 -160934.7391 -108302.4498 300.0727 -108.4750 -77.0202 763271.1630 6.4855 6.5486 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 3600000 WRITING COORDINATES TO RESTART FILE AT STEP 3600000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3600000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3600000 241.172 -16.3114 54.6971 -16.3113 52.0579 46.176 54.6961 46.1762 110.392 GPRESSURE: 3600000 272.082 -38.1751 54.0836 -60.1182 95.9822 -3.53471 91.999 125.235 139.213 PRESSAVG: 3600000 -32.05 69.7796 8.70926 69.7796 57.1912 30.9693 8.70932 30.9693 5.70226 GPRESSAVG: 3600000 -31.9369 70.3901 6.61836 70.3106 57.6942 28.3719 10.74 31.0173 5.14031 TIMING: 3600000 CPU: 11247.1, 0.00346218/step Wall: 11247.1, 0.00346218/step, 1.3464 hours remaining, 233.542969 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: 3600000 4018.8141 20675.6835 14499.5792 250.8734 -202968.3912 2739.2342 0.0000 0.0000 52111.2902 -108672.9166 299.4843 -160784.2068 -108311.4714 300.6824 134.5403 169.0924 761762.2069 10.2811 10.2992 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3600000 PRESSURE: 3600200 -155.249 -8.80899 16.4847 -8.80963 -74.1526 64.6868 16.4844 64.6862 -278.498 GPRESSURE: 3600200 -89.6324 -17.0107 25.7267 -8.16677 -103.701 70.9391 132.337 97.0979 -228.835 PRESSAVG: 3600200 -11.3318 7.79603 4.41068 7.79601 31.0206 47.5235 4.41071 47.5235 -17.0259 GPRESSAVG: 3600200 -9.35778 8.62011 4.35187 5.55498 29.3434 49.7535 5.11818 47.2227 -17.3987 TIMING: 3600200 CPU: 11247.8, 0.00323004/step Wall: 11247.8, 0.00323004/step, 1.25595 hours remaining, 233.542969 MB of memory in use. ENERGY: 3600200 4021.8314 20612.0688 14481.9257 221.5374 -202876.0184 2576.1567 0.0000 0.0000 52395.6784 -108566.8201 301.1187 -160962.4986 -108201.5142 300.7048 -169.2997 -140.7229 761556.4642 0.8876 0.8623 LDB: ============= START OF LOAD BALANCING ============== 11260.3 LDB: ============== END OF LOAD BALANCING =============== 11260.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11260.3 LDB: ============= START OF LOAD BALANCING ============== 11260.6 LDB: Largest compute 7069 load 0.027550 is 14.1% of average load 0.195203 LDB: Average compute 0.004374 is 2.2% of average load 0.195203 LDB: TIME 11260.6 LOAD: AVG 0.195203 MAX 0.214549 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.57 MB LDB: TIME 11260.6 LOAD: AVG 0.195203 MAX 0.214549 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.613 MB LDB: TIME 11260.6 LOAD: AVG 0.195203 MAX 0.214549 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.613 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11260.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11260.6 PRESSURE: 3600400 22.5481 204.229 453.998 204.229 9.24824 216.258 453.997 216.258 285.081 GPRESSURE: 3600400 53.7144 152.938 503.196 211.18 35.9343 161.918 453.926 202.243 308.657 PRESSAVG: 3600400 21.7802 -0.749685 38.1261 -0.749638 -22.1619 -20.2619 38.1261 -20.2618 -43.7107 GPRESSAVG: 3600400 20.1687 -2.02662 38.6573 0.741786 -21.7938 -22.3597 37.8714 -18.9822 -42.6101 TIMING: 3600400 CPU: 11248.4, 0.00319991/step Wall: 11248.4, 0.00319991/step, 1.24405 hours remaining, 235.628906 MB of memory in use. ENERGY: 3600400 3966.3684 20693.8060 14405.7292 259.6811 -202819.3590 2427.1008 0.0000 0.0000 52427.8766 -108638.7969 301.3037 -161066.6735 -108262.7236 300.7673 105.6256 132.7686 762621.8929 -14.6975 -14.7450 PRESSURE: 3600600 127.999 -119.791 -45.9316 -119.791 -98.9059 -112.89 -45.9315 -112.889 -2.35865 GPRESSURE: 3600600 123.615 -107.043 23.921 -90.7545 -57.9661 -199.002 -18.742 -23.8233 34.8408 PRESSAVG: 3600600 -40.9338 47.9085 49.1067 47.9085 60.5129 -0.958385 49.1067 -0.95839 -12.8735 GPRESSAVG: 3600600 -41.4456 48.2264 49.0122 47.807 62.1351 1.30279 51.0223 -0.499801 -14.0197 TIMING: 3600600 CPU: 11249, 0.00312924/step Wall: 11249, 0.00312924/step, 1.2164 hours remaining, 235.628906 MB of memory in use. ENERGY: 3600600 4006.9288 20734.4156 14510.0479 242.1989 -203128.3600 2750.6205 0.0000 0.0000 52238.1395 -108646.0088 300.2133 -160884.1483 -108283.2154 300.4785 8.9114 33.4964 761285.9160 2.2352 2.2233 PRESSURE: 3600800 -342.284 121.925 -83.5517 121.926 162.642 -119.786 -83.5518 -119.787 -8.55376 GPRESSURE: 3600800 -170.553 71.2616 -65.7399 184.364 72.2723 -141.208 -76.8777 -147.426 -19.2223 PRESSAVG: 3600800 -8.51801 -38.9784 -7.09615 -38.9784 -13.7203 -43.7393 -7.09614 -43.7392 11.3896 GPRESSAVG: 3600800 -7.57882 -39.7202 -7.29866 -40.1283 -15.0382 -45.3134 -7.5784 -44.7306 12.5429 TIMING: 3600800 CPU: 11249.7, 0.00312268/step Wall: 11249.7, 0.00312268/step, 1.21368 hours remaining, 235.628906 MB of memory in use. ENERGY: 3600800 3992.2574 20557.3506 14517.6551 264.0789 -202850.3759 2338.7555 0.0000 0.0000 52271.9083 -108908.3701 300.4074 -161180.2784 -108541.3240 300.2380 -62.7320 -39.1678 762743.9588 -3.6162 -3.3580 PRESSURE: 3601000 111.347 74.9391 -92.8732 74.9395 -235.827 -353.74 -92.8742 -353.741 -98.051 GPRESSURE: 3601000 88.7437 92.3143 -70.2627 115.436 -146.662 -369.275 65.8133 -258.096 -102.258 PRESSAVG: 3601000 12.8196 63.0095 25.1333 63.0095 27.0339 -82.1239 25.1332 -82.124 14.2455 GPRESSAVG: 3601000 11.6791 62.4854 25.6553 65.3847 28.6916 -82.3718 24.1676 -81.4122 14.1014 TIMING: 3601000 CPU: 11250.3, 0.00314269/step Wall: 11250.3, 0.00314269/step, 1.22128 hours remaining, 235.628906 MB of memory in use. ENERGY: 3601000 4021.1493 20464.1950 14528.6080 234.6724 -202561.6294 2330.1170 0.0000 0.0000 52189.5880 -108793.2998 299.9343 -160982.8878 -108424.4920 300.2059 -74.1768 -53.3922 763123.9226 18.0330 18.1574 PRESSURE: 3601200 -265.713 360.946 -78.2748 360.946 -170.619 -63.4131 -78.2748 -63.4132 384.678 GPRESSURE: 3601200 -146.751 257.309 -19.8722 343.334 -178.529 -64.843 -82.5461 -59.6592 369.103 PRESSAVG: 3601200 -20.5834 9.37796 41.2998 9.37797 19.7072 19.1834 41.2997 19.1833 -12.8124 GPRESSAVG: 3601200 -20.2131 10.2214 39.9076 8.82402 18.1344 19.7147 41.1348 19.3302 -11.951 TIMING: 3601200 CPU: 11250.9, 0.00313835/step Wall: 11250.9, 0.00313836/step, 1.21943 hours remaining, 235.628906 MB of memory in use. ENERGY: 3601200 4017.5715 20431.3944 14458.3270 244.8336 -202914.5658 2655.6638 0.0000 0.0000 52107.7728 -108999.0027 299.4641 -161106.7755 -108632.9765 299.9762 -17.2181 14.6076 764663.0826 -4.5629 -4.6766 PRESSURE: 3601400 -17.1304 9.34704 90.8653 9.34726 121.083 -28.3778 90.8656 -28.3772 -464.648 GPRESSURE: 3601400 114.127 156.041 -17.5355 41.8235 35.1193 -31.5748 207.124 -32.377 -425.445 PRESSAVG: 3601400 1.58355 16.9877 13.6689 16.9877 -24.8302 22.6582 13.6689 22.6582 5.37612 GPRESSAVG: 3601400 1.08454 16.0512 14.4332 19.3297 -24.3497 23.5277 13.0876 22.8194 4.82667 TIMING: 3601400 CPU: 11251.6, 0.00315079/step Wall: 11251.6, 0.00315079/step, 1.22408 hours remaining, 235.628906 MB of memory in use. ENERGY: 3601400 4012.3366 20518.1244 14424.6825 253.0217 -202952.9643 2697.1056 0.0000 0.0000 52021.3784 -109026.3152 298.9676 -161047.6935 -108663.7787 298.9951 -120.2318 -92.0661 762602.0401 -5.9568 -6.1462 PRESSURE: 3601600 33.4596 48.0776 104.692 48.0771 212.635 -100.566 104.692 -100.567 -97.8462 GPRESSURE: 3601600 -29.4805 63.184 45.6709 49.4663 302.977 -119.052 127.269 -154.11 -25.4154 PRESSAVG: 3601600 -1.43994 5.66476 17.9207 5.66479 41.7362 -6.32252 17.9209 -6.32256 30.9073 GPRESSAVG: 3601600 -0.794174 6.5522 18.2568 2.29887 41.8745 -6.37607 17.1091 -7.04574 30.6421 TIMING: 3601600 CPU: 11252.2, 0.00311808/step Wall: 11252.2, 0.00311808/step, 1.2112 hours remaining, 235.628906 MB of memory in use. ENERGY: 3601600 4009.5960 20525.6347 14414.3347 254.7377 -203469.3016 2844.1110 0.0000 0.0000 52196.7880 -109224.0994 299.9757 -161420.8874 -108857.3464 299.3796 49.4162 82.6936 760780.5628 23.7345 23.9075 PRESSURE: 3601800 251.715 -77.5223 10.9136 -77.5213 437.405 123.529 10.913 123.529 -114.674 GPRESSURE: 3601800 299.278 47.443 77.3113 -172.844 444.003 94.6249 31.0484 264.992 -90.5977 PRESSAVG: 3601800 26.7149 -24.6619 -11.5062 -24.6619 -27.0355 53.0571 -11.5062 53.0572 -6.35831 GPRESSAVG: 3601800 26.508 -24.08 -11.6302 -26.4417 -26.9576 52.7724 -10.5149 53.2258 -6.25132 TIMING: 3601800 CPU: 11252.8, 0.00312639/step Wall: 11252.8, 0.00312639/step, 1.21426 hours remaining, 235.628906 MB of memory in use. ENERGY: 3601800 3942.2038 20560.4184 14454.4522 235.6251 -203268.4333 2787.6539 0.0000 0.0000 52269.9792 -109018.1007 300.3963 -161288.0799 -108657.8321 299.8362 191.4820 217.5610 762092.2773 -2.2263 -2.2336 PRESSURE: 3602000 21.2748 -39.9677 -167.332 -39.9685 -150.283 -191.971 -167.333 -191.97 -203.077 GPRESSURE: 3602000 105.064 65.8012 -141.816 73.4427 -126.572 -110.944 -134.323 -167.273 -228.535 PRESSAVG: 3602000 4.57598 61.8506 22.4738 61.8505 -15.0262 24.8434 22.4739 24.8435 -9.56357 GPRESSAVG: 3602000 4.02853 61.2271 21.79 64.4201 -15.1219 23.965 22.7008 26.02 -9.46225 TIMING: 3602000 CPU: 11253.4, 0.00313349/step Wall: 11253.4, 0.00313349/step, 1.21684 hours remaining, 235.628906 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: 3602000 3979.9159 20677.3176 14425.3381 257.0035 -203124.8357 2569.1134 0.0000 0.0000 52111.4037 -109104.7435 299.4850 -161216.1472 -108747.2317 300.0180 -110.6950 -83.3477 762520.7429 -6.6713 -6.8519 PRESSURE: 3602200 -3.27718 211.884 -356.884 211.884 5.53828 146.201 -356.884 146.201 29.8796 GPRESSURE: 3602200 22.577 53.153 -280.586 188.201 22.7774 108.22 -397.311 -9.19097 57.752 PRESSAVG: 3602200 7.05071 24.2414 -58.1609 24.2414 -12.526 45.7888 -58.161 45.7888 15.9054 GPRESSAVG: 3602200 7.7229 23.8505 -58.3171 21.9104 -12.5358 45.4353 -58.2543 44.4468 15.5237 TIMING: 3602200 CPU: 11254.1, 0.00313587/step Wall: 11254.1, 0.00313587/step, 1.21759 hours remaining, 235.628906 MB of memory in use. ENERGY: 3602200 3957.7075 20651.0150 14448.7607 250.3334 -202764.5850 2245.7287 0.0000 0.0000 52062.7309 -109148.3087 299.2052 -161211.0397 -108783.3043 299.7021 10.7136 34.3688 763374.6106 3.4767 3.5703 PRESSURE: 3602400 -223.32 133.894 -59.9325 133.894 -87.2474 63.202 -59.9336 63.204 97.343 GPRESSURE: 3602400 -113.681 93.1001 -95.5314 108.099 -39.1256 -83.4421 -95.194 105.796 28.1194 PRESSAVG: 3602400 1.31353 -3.50353 -3.49143 -3.50348 -19.2028 40.5392 -3.49144 40.5393 -7.2423 GPRESSAVG: 3602400 1.91093 -3.62591 -3.47052 -0.98299 -19.7881 42.7288 -4.10432 40.4368 -6.74859 TIMING: 3602400 CPU: 11254.7, 0.00312553/step Wall: 11254.7, 0.00312553/step, 1.2134 hours remaining, 235.628906 MB of memory in use. ENERGY: 3602400 3910.4367 20557.2809 14433.1764 251.6963 -203213.4669 2757.2184 0.0000 0.0000 52082.4375 -109221.2207 299.3185 -161303.6582 -108855.0786 299.5962 -71.0750 -41.5625 762879.8695 -8.3772 -8.2086 PRESSURE: 3602600 61.179 38.4536 136.262 38.4531 141.325 -49.8237 136.263 -49.8234 -215.305 GPRESSURE: 3602600 109.793 97.1364 58.1571 -14.9528 153.523 -70.7663 107.619 22.9831 -191.332 PRESSAVG: 3602600 9.392 10.9036 14.5317 10.9036 3.31314 -8.53781 14.5317 -8.53776 -0.141779 GPRESSAVG: 3602600 10.2147 11.9297 14.1904 9.66961 2.6094 -10.1488 14.392 -7.22824 0.165927 TIMING: 3602600 CPU: 11255.3, 0.00314117/step Wall: 11255.3, 0.00314117/step, 1.2193 hours remaining, 235.628906 MB of memory in use. ENERGY: 3602600 3942.6207 20612.4489 14454.3377 254.4456 -203521.7813 2768.7460 0.0000 0.0000 52198.1618 -109291.0206 299.9836 -161489.1824 -108930.3007 299.7982 -4.2671 23.9946 761606.9435 4.1878 4.3300 PRESSURE: 3602800 62.6165 -15.4118 27.0218 -15.4113 -364.621 -35.0599 27.0224 -35.0604 -29.8435 GPRESSURE: 3602800 62.6105 -0.238747 49.5886 97.1803 -294.067 -0.859569 21.0126 25.9909 -32.4629 PRESSAVG: 3602800 54.8699 3.86727 55.0735 3.86731 -21.2083 -11.5737 55.0735 -11.5736 34.5616 GPRESSAVG: 3602800 53.0942 3.5664 56.7413 5.50719 -19.351 -11.8478 55.2226 -10.8739 34.0854 TIMING: 3602800 CPU: 11255.9, 0.0031256/step Wall: 11255.9, 0.00312559/step, 1.21308 hours remaining, 235.628906 MB of memory in use. ENERGY: 3602800 3967.5283 20597.8800 14388.3988 255.0112 -203332.8741 2679.4659 0.0000 0.0000 52180.9759 -109263.6141 299.8848 -161444.5900 -108906.1069 299.5011 -110.6162 -87.9732 762623.6469 22.7410 22.6095 PRESSURE: 3603000 102.033 88.9215 134.077 88.9211 -240.57 -39.9428 134.078 -39.943 -460.281 GPRESSURE: 3603000 134.438 -2.96518 156.083 93.8386 -251.148 -65.499 6.47866 -99.9407 -415.977 PRESSAVG: 3603000 -66.1719 13.8895 113.072 13.8895 -3.77014 43.5858 113.072 43.5859 -0.811206 GPRESSAVG: 3603000 -65.1635 13.6333 112.629 13.1306 -4.64113 43.9264 114.611 41.8405 -0.771819 TIMING: 3603000 CPU: 11256.6, 0.00312188/step Wall: 11256.6, 0.00312188/step, 1.21146 hours remaining, 235.628906 MB of memory in use. ENERGY: 3603000 3994.5580 20602.9463 14398.6956 257.8188 -202818.3834 2415.4053 0.0000 0.0000 51727.3145 -109421.6449 297.2776 -161148.9594 -109060.7505 299.6126 -199.6056 -177.5623 764282.7411 -23.5844 -23.5255 PRESSURE: 3603200 -83.9809 -152.635 -40.9963 -152.635 -428.648 8.28623 -40.9961 8.28633 -328.789 GPRESSURE: 3603200 -64.7711 -135.732 -116.382 -130.71 -378.2 -36.8993 13.825 -27.7597 -304.417 PRESSAVG: 3603200 -13.6854 26.708 12.7039 26.708 18.8079 1.08816 12.7039 1.08814 7.04592 GPRESSAVG: 3603200 -14.5064 28.9172 11.7933 25.9577 19.2746 1.73461 12.3684 1.14363 7.92766 TIMING: 3603200 CPU: 11257.2, 0.00313394/step Wall: 11257.2, 0.00313394/step, 1.21597 hours remaining, 235.628906 MB of memory in use. ENERGY: 3603200 3986.5647 20437.8476 14446.3172 252.9362 -202989.6195 2326.1801 0.0000 0.0000 52168.6887 -109371.0851 299.8142 -161539.7738 -109005.9110 298.8859 -280.4726 -249.1292 763521.0669 4.0561 4.2320 PRESSURE: 3603400 106.534 -92.529 55.2805 -92.529 43.526 -87.8392 55.2807 -87.8402 185.257 GPRESSURE: 3603400 116.537 -58.6603 -130.156 6.92345 68.3711 -121.264 33.7199 -193.122 216.242 PRESSAVG: 3603400 -29.7548 43.6963 26.9477 43.6964 32.3954 3.0315 26.9476 3.03151 -26.3744 GPRESSAVG: 3603400 -30.6201 41.745 27.1538 43.8501 32.9554 1.75041 26.5535 2.37112 -27.0493 TIMING: 3603400 CPU: 11257.8, 0.00312742/step Wall: 11257.8, 0.00312742/step, 1.21326 hours remaining, 235.628906 MB of memory in use. ENERGY: 3603400 3912.0878 20566.3555 14402.7091 253.6460 -203027.5531 2561.1794 0.0000 0.0000 52085.2747 -109246.3006 299.3348 -161331.5754 -108886.2569 299.3221 111.7721 133.7166 764502.9545 -7.9113 -8.2380 PRESSURE: 3603600 -27.0251 71.7008 315.259 71.6996 -177.989 -211.951 315.258 -211.952 -392.277 GPRESSURE: 3603600 37.7595 -110.641 296.18 124.693 -132.431 -232.122 248.831 -235.339 -424.722 PRESSAVG: 3603600 -1.56638 67.807 -8.52578 67.8071 57.5746 -31.069 -8.52573 -31.0689 5.18557 GPRESSAVG: 3603600 -0.185598 67.4373 -7.15709 69.533 56.7056 -30.0054 -6.70358 -30.8636 4.66902 TIMING: 3603600 CPU: 11258.4, 0.00311673/step Wall: 11258.4, 0.00311673/step, 1.20894 hours remaining, 235.628906 MB of memory in use. ENERGY: 3603600 4063.3681 20644.3415 14412.3403 230.8231 -203019.9910 2583.7226 0.0000 0.0000 51663.1520 -109422.2435 296.9088 -161085.3955 -109070.2884 298.9304 -199.0971 -173.1312 762102.5077 20.3979 20.3963 PRESSURE: 3603800 85.6614 24.3251 -110.335 24.3257 223.8 8.15792 -110.335 8.15769 -283.068 GPRESSURE: 3603800 168.954 -16.5296 -94.5577 -31.184 137.928 -31.3193 -104.401 -45.5638 -208.361 PRESSAVG: 3603800 9.47461 26.6373 11.1867 26.6373 26.3583 -37.1944 11.1866 -37.1944 1.9035 GPRESSAVG: 3603800 8.84771 26.2481 10.8381 24.0706 26.0349 -37.931 8.6103 -36.5004 2.77958 TIMING: 3603800 CPU: 11259.1, 0.00311658/step Wall: 11259.1, 0.00311658/step, 1.20871 hours remaining, 235.628906 MB of memory in use. ENERGY: 3603800 4021.5827 20565.4108 14388.5042 239.2695 -203145.7804 2494.6244 0.0000 0.0000 51978.2315 -109458.1574 298.7196 -161436.3888 -109096.0178 299.0425 8.7979 32.8403 762553.4379 12.5788 12.5541 PRESSURE: 3604000 151.703 -58.1926 -8.96954 -58.1926 96.6257 -17.9374 -8.96959 -17.9377 247.694 GPRESSURE: 3604000 224.11 -158.116 74.3237 35.0728 141.722 -30.2965 99.6917 -107.371 203.05 PRESSAVG: 3604000 -8.18418 2.89225 30.3057 2.89224 16.261 -31.004 30.3057 -31.004 -28.765 GPRESSAVG: 3604000 -7.67704 2.8532 30.5705 3.68483 15.3859 -31.5428 32.0865 -30.9623 -28.84 TIMING: 3604000 CPU: 11259.7, 0.0031639/step Wall: 11259.7, 0.00316391/step, 1.22689 hours remaining, 235.628906 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: 3604000 4029.2428 20522.8682 14421.3560 237.1530 -203464.0371 2850.3239 0.0000 0.0000 52090.5428 -109312.5505 299.3651 -161403.0932 -108954.2194 298.9781 165.3408 189.6273 762506.6047 -6.8961 -7.0437 PRESSURE: 3604200 20.5382 145.927 -74.4805 145.926 -382.648 93.3662 -74.4799 93.366 -235.881 GPRESSURE: 3604200 18.3314 282.929 -36.1271 40.6971 -277.144 20.2625 -106.093 0.347347 -249.872 PRESSAVG: 3604200 -2.87597 -22.4633 -4.95989 -22.4633 -10.4631 -11.6248 -4.95987 -11.6249 -21.6569 GPRESSAVG: 3604200 -3.33504 -19.5699 -4.74099 -23.7269 -8.5851 -11.8037 -6.22564 -12.3567 -22.7332 TIMING: 3604200 CPU: 11260.3, 0.0031606/step Wall: 11260.3, 0.0031606/step, 1.22543 hours remaining, 235.628906 MB of memory in use. ENERGY: 3604200 3993.0472 20646.7589 14467.1732 243.2535 -203231.0652 2574.2566 0.0000 0.0000 52227.8118 -109078.7639 300.1540 -161306.5757 -108697.8875 299.4673 -199.3303 -169.5616 764309.9241 -11.6653 -11.5511 LDB: ============= START OF LOAD BALANCING ============== 11272.8 LDB: ============== END OF LOAD BALANCING =============== 11272.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11272.8 LDB: ============= START OF LOAD BALANCING ============== 11273.1 LDB: Largest compute 7070 load 0.028368 is 14.5% of average load 0.195253 LDB: Average compute 0.004364 is 2.2% of average load 0.195253 LDB: TIME 11273.1 LOAD: AVG 0.195253 MAX 0.213505 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.078 MB LDB: TIME 11273.1 LOAD: AVG 0.195253 MAX 0.213505 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.078 MB LDB: TIME 11273.1 LOAD: AVG 0.195253 MAX 0.213505 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.078 MB LDB: ============== END OF LOAD BALANCING =============== 11273.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11273.1 PRESSURE: 3604400 -177.761 -98.7742 -7.35824 -98.7744 63.7699 16.0134 -7.35819 16.0139 -69.6395 GPRESSURE: 3604400 -63.3101 -179.338 -26.6084 -19.5431 37.9818 56.1461 -100.386 -33.4596 -76.6917 PRESSAVG: 3604400 -26.0783 16.0294 27.1317 16.0294 9.65983 -49.6404 27.1317 -49.6404 0.758211 GPRESSAVG: 3604400 -25.2199 14.4051 26.7289 18.3467 8.09649 -49.2167 29.8151 -50.6448 0.999557 TIMING: 3604400 CPU: 11261, 0.00321139/step Wall: 11261, 0.00321139/step, 1.24495 hours remaining, 233.542969 MB of memory in use. ENERGY: 3604400 3993.9645 20688.5895 14409.8806 261.8415 -203199.3418 2544.8345 0.0000 0.0000 52029.4378 -109270.7935 299.0139 -161300.2313 -108905.7336 299.7858 -61.2103 -34.0067 762175.8047 -5.2201 -5.3746 PRESSURE: 3604600 -566.87 28.3796 1.67914 28.3798 -82.7465 -181.003 1.67899 -181.001 87.3665 GPRESSURE: 3604600 -498.248 -3.27609 75.4393 -21.2551 -76.7257 -159.993 -10.6532 -35.5224 98.0833 PRESSAVG: 3604600 -32.8172 31.2334 -26.151 31.2334 56.9351 17.62 -26.151 17.62 5.12177 GPRESSAVG: 3604600 -34.8227 32.4084 -26.4359 29.5482 58.7296 17.9249 -27.9968 18.6351 4.8837 TIMING: 3604600 CPU: 11261.6, 0.0031322/step Wall: 11261.6, 0.0031322/step, 1.21408 hours remaining, 233.542969 MB of memory in use. ENERGY: 3604600 4016.6088 20588.0424 14403.2703 231.9380 -203239.5239 2407.8165 0.0000 0.0000 52122.6251 -109469.2229 299.5494 -161591.8480 -109104.4613 299.1632 -187.4167 -158.9636 762845.7135 9.7466 9.5969 PRESSURE: 3604800 5.82825 -60.4038 -119.096 -60.4035 31.2498 -203.497 -119.096 -203.498 -286.248 GPRESSURE: 3604800 194.204 -75.5884 -77.4757 31.3678 18.1265 -170.416 -82.6896 -149.486 -368.78 PRESSAVG: 3604800 -22.3609 14.1127 56.9757 14.1127 44.9592 -47.3093 56.9757 -47.3093 11.6137 GPRESSAVG: 3604800 -21.0357 13.9968 58.3946 14.3643 44.0825 -48.1185 56.6871 -46.4437 11.8304 TIMING: 3604800 CPU: 11262.2, 0.00313326/step Wall: 11262.2, 0.00313326/step, 1.21431 hours remaining, 233.542969 MB of memory in use. ENERGY: 3604800 3976.1280 20510.4564 14434.2380 249.7968 -203088.0929 2267.1056 0.0000 0.0000 51923.9982 -109726.3699 298.4079 -161650.3681 -109371.8168 298.7707 -83.0567 -52.1498 760166.4456 11.4040 11.6257 PRESSURE: 3605000 -240.114 38.7656 -93.0016 38.7669 -46.4833 -35.9979 -93.0016 -35.9977 -304.85 GPRESSURE: 3605000 -103.135 55.9681 -147.34 -4.76073 -136.44 -60.2362 -42.3335 49.6449 -265.458 PRESSAVG: 3605000 -26.7484 -28.459 34.6131 -28.459 42.4614 -34.0973 34.6131 -34.0973 2.42755 GPRESSAVG: 3605000 -26.9302 -28.7042 33.0532 -28.9192 42.2779 -34.2033 39.2045 -34.0929 2.59715 TIMING: 3605000 CPU: 11262.8, 0.00312223/step Wall: 11262.8, 0.00312223/step, 1.20987 hours remaining, 233.542969 MB of memory in use. ENERGY: 3605000 3945.9735 20500.0753 14518.1738 257.7449 -203279.3439 2434.9328 0.0000 0.0000 51965.8579 -109656.5857 298.6485 -161622.4436 -109291.1844 298.6824 -197.1491 -168.3445 761854.8903 6.0469 5.9816 PRESSURE: 3605200 65.0232 -70.1499 110.646 -70.149 37.1642 -19.7499 110.645 -19.7496 -126.604 GPRESSURE: 3605200 -14.9123 -76.7008 108.219 41.652 109.866 21.4258 -9.37757 -91.1551 -47.0052 PRESSAVG: 3605200 -2.51488 37.8511 -9.72 37.8512 -9.33586 7.74864 -9.71999 7.74868 -13.9038 GPRESSAVG: 3605200 -2.77422 35.6298 -9.84955 37.995 -9.25818 9.92932 -14.5418 7.48286 -13.4356 TIMING: 3605200 CPU: 11263.5, 0.00313857/step Wall: 11263.5, 0.00313857/step, 1.21602 hours remaining, 233.542969 MB of memory in use. ENERGY: 3605200 3938.8671 20532.9812 14465.6849 249.6397 -203744.3671 2930.5577 0.0000 0.0000 51991.9787 -109634.6580 298.7986 -161626.6367 -109270.9561 298.3180 -8.1389 15.9829 762470.3361 -8.5849 -8.4893 PRESSURE: 3605400 231.517 19.2367 -117.971 19.2372 -492.374 133.883 -117.971 133.884 389.605 GPRESSURE: 3605400 262.745 157.991 -17.8228 81.2315 -350.724 66.5874 64.5909 109.768 305.896 PRESSAVG: 3605400 38.3543 77.5433 -6.10514 77.5433 -11.1608 32.8837 -6.10515 32.8837 3.71482 GPRESSAVG: 3605400 38.5574 79.075 -5.78166 78.3732 -10.4501 31.4178 -5.13914 33.5541 2.7085 TIMING: 3605400 CPU: 11264.1, 0.00314001/step Wall: 11264.1, 0.00314001/step, 1.21641 hours remaining, 233.542969 MB of memory in use. ENERGY: 3605400 3985.9347 20609.5935 14367.9097 250.0110 -203907.0828 2931.7858 0.0000 0.0000 51894.9597 -109866.8884 298.2410 -161761.8481 -109517.0810 298.4360 42.9156 72.6393 762017.2986 10.3028 10.2720 PRESSURE: 3605600 -190.591 167.216 68.4151 167.216 -363.341 129.188 68.415 129.189 -288.312 GPRESSURE: 3605600 -120.534 66.1439 56.8921 88.8825 -389.139 154.647 148.307 56.5946 -232.828 PRESSAVG: 3605600 -12.0557 21.6659 -36.3012 21.666 -17.999 1.4171 -36.3011 1.41709 23.2942 GPRESSAVG: 3605600 -11.3541 21.5946 -36.5612 21.2839 -17.5343 -0.283103 -34.5697 1.3134 22.5753 TIMING: 3605600 CPU: 11264.7, 0.00315833/step Wall: 11264.7, 0.00315833/step, 1.22332 hours remaining, 233.542969 MB of memory in use. ENERGY: 3605600 4005.7597 20490.0919 14421.9034 260.8403 -203243.0905 2459.7354 0.0000 0.0000 51718.9562 -109885.8035 297.2296 -161604.7598 -109518.9947 297.9424 -280.7482 -247.5002 762337.2066 -2.2535 -2.1044 PRESSURE: 3605800 -125.415 -21.4797 85.3843 -21.4802 1.33788 -8.98197 85.3846 -8.98224 -11.141 GPRESSURE: 3605800 -12.9063 36.4433 110.516 6.71663 -50.289 -47.4319 -68.5464 8.39349 38.757 PRESSAVG: 3605800 -26.0619 87.5349 -51.8299 87.5349 30.4364 11.8955 -51.8299 11.8955 -1.1438 GPRESSAVG: 3605800 -26.3334 86.8507 -50.7249 88.1496 29.529 13.0539 -54.4976 9.60493 0.0895736 TIMING: 3605800 CPU: 11265.4, 0.00315247/step Wall: 11265.4, 0.00315247/step, 1.22088 hours remaining, 233.542969 MB of memory in use. ENERGY: 3605800 4004.2533 20595.6484 14418.5848 243.7310 -203877.2355 2966.8582 0.0000 0.0000 51972.6437 -109675.5161 298.6875 -161648.1598 -109310.1198 298.3615 -45.0727 -8.1461 760704.6736 1.0769 1.0951 PRESSURE: 3606000 346.428 131.857 -324.703 131.858 343.612 13.6159 -324.703 13.6161 -51.1334 GPRESSURE: 3606000 368.706 128.111 -322.721 116.753 261.345 50.9203 -115.275 112.509 74.2439 PRESSAVG: 3606000 0.115901 70.9632 -26.4078 70.9631 22.3345 54.0628 -26.4078 54.0628 -0.850297 GPRESSAVG: 3606000 0.643669 70.4096 -27.4129 70.8858 22.2887 54.4309 -25.6193 55.3872 -1.47447 TIMING: 3606000 CPU: 11266, 0.00314106/step Wall: 11266, 0.00314106/step, 1.21629 hours remaining, 233.542969 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: 3606000 3961.1704 20666.3357 14484.1028 268.8395 -203873.6627 2897.7830 0.0000 0.0000 52127.8686 -109467.5627 299.5796 -161595.4313 -109113.2439 298.9479 212.9686 234.7649 759376.8646 7.2000 7.1526 PRESSURE: 3606200 170.362 132.727 112.692 132.726 -111.268 132.589 112.691 132.588 -82.5091 GPRESSURE: 3606200 131.346 148.17 241.905 149.201 -93.6984 59.4052 48.3727 134.614 24.4649 PRESSAVG: 3606200 -4.34057 71.9775 -2.89205 71.9775 4.29733 -33.2701 -2.89205 -33.2701 24.3842 GPRESSAVG: 3606200 -5.18597 73.1465 -2.28711 71.161 4.69032 -33.7676 -1.17912 -33.7228 24.857 TIMING: 3606200 CPU: 11266.6, 0.00313097/step Wall: 11266.6, 0.00313097/step, 1.21221 hours remaining, 233.542969 MB of memory in use. ENERGY: 3606200 4107.7343 20699.9787 14410.3009 256.5580 -203658.1247 2855.5290 0.0000 0.0000 51699.9956 -109628.0281 297.1206 -161328.0237 -109267.0910 299.1950 -7.8050 20.7042 762409.4644 8.1137 8.1205 PRESSURE: 3606400 414.318 82.1911 -91.475 82.1906 223.396 -8.14009 -91.4756 -8.14025 -17.2535 GPRESSURE: 3606400 459.841 118.595 -35.0608 66.9565 247.82 62.9394 -141.297 -194.237 -9.35938 PRESSAVG: 3606400 -0.952099 31.5078 -11.0144 31.5078 18.7142 63.8385 -11.0144 63.8385 -14.9279 GPRESSAVG: 3606400 -1.31069 30.2198 -10.6132 33.8262 19.2405 63.2842 -12.5319 64.3006 -15.2242 TIMING: 3606400 CPU: 11267.2, 0.00312759/step Wall: 11267.2, 0.00312759/step, 1.21072 hours remaining, 233.542969 MB of memory in use. ENERGY: 3606400 4019.7093 20647.8137 14533.9368 232.8977 -203545.0136 2860.1519 0.0000 0.0000 51709.9247 -109540.5795 297.1776 -161250.5043 -109184.1853 298.9318 206.8199 232.7672 760615.9200 0.9448 0.9019 PRESSURE: 3606600 -386.134 23.8634 -0.612361 23.8637 16.0881 -43.1736 -0.612333 -43.1728 -163.921 GPRESSURE: 3606600 -280.179 -23.3493 -4.04592 13.124 24.8392 -2.68026 21.5571 13.8742 -216.585 PRESSAVG: 3606600 15.0834 96.5011 -38.9763 96.5011 7.26447 25.6298 -38.9763 25.6298 -37.6577 GPRESSAVG: 3606600 15.7298 97.4219 -39.6292 95.7436 7.17214 26.0047 -39.6472 25.6413 -38.2245 TIMING: 3606600 CPU: 11267.9, 0.00312832/step Wall: 11267.9, 0.00312832/step, 1.21083 hours remaining, 233.542969 MB of memory in use. ENERGY: 3606600 4065.3495 20558.8384 14427.7469 252.9118 -203553.5825 2255.1919 0.0000 0.0000 52457.3288 -109536.2153 301.4730 -161993.5441 -109166.6727 299.1763 -177.9892 -157.3081 760783.4573 -5.1033 -5.1075 PRESSURE: 3606800 -278.124 -182.832 -209.145 -182.832 62.8784 9.47321 -209.146 9.47293 -52.7608 GPRESSURE: 3606800 -225.038 -31.0593 -196.579 -216.096 70.6058 59.6146 -142.622 136.608 14.9584 PRESSAVG: 3606800 -2.19938 20.6313 18.4985 20.6313 37.5814 33.4457 18.4985 33.4457 -1.74237 GPRESSAVG: 3606800 -1.46509 21.4511 17.8684 21.2497 37.2104 35.5976 18.5819 34.688 -1.9706 TIMING: 3606800 CPU: 11268.5, 0.00312959/step Wall: 11268.5, 0.00312959/step, 1.21115 hours remaining, 233.542969 MB of memory in use. ENERGY: 3606800 3934.0101 20483.4070 14422.2737 234.9800 -203377.2233 2625.6056 0.0000 0.0000 52040.5628 -109636.3841 299.0778 -161676.9469 -109272.8299 298.9670 -89.3353 -46.4913 761177.9498 11.2132 11.2582 PRESSURE: 3607000 80.8901 -123.638 85.0178 -123.637 30.1515 75.4409 85.0189 75.4403 -116.132 GPRESSURE: 3607000 117.507 -158.753 156.51 -232.693 74.7191 81.6104 8.73567 13.2483 -110.257 PRESSAVG: 3607000 -14.7706 8.5228 -20.9537 8.52282 -21.3415 63.1309 -20.9537 63.1308 17.4192 GPRESSAVG: 3607000 -14.5638 7.86564 -19.8976 8.49389 -21.6046 60.5796 -20.3828 63.2002 17.5192 TIMING: 3607000 CPU: 11269.1, 0.00314722/step Wall: 11269.1, 0.00314722/step, 1.2178 hours remaining, 233.542969 MB of memory in use. ENERGY: 3607000 4007.1397 20468.0706 14428.1305 254.6089 -203325.9189 2572.1185 0.0000 0.0000 51773.9013 -109821.9492 297.5453 -161595.8506 -109458.4508 298.6363 -1.6969 27.3228 762572.9153 -6.2310 -6.2164 PRESSURE: 3607200 34.1389 221.266 223.02 221.266 125.754 52 223.021 51.9994 184.021 GPRESSURE: 3607200 134.811 134.721 209.36 109.481 119.975 32.1197 244.816 133.945 161.183 PRESSAVG: 3607200 42.4195 14.2524 55.9865 14.2524 -11.5809 -3.99011 55.9865 -3.99012 -18.0063 GPRESSAVG: 3607200 41.3085 15.5841 55.6621 12.0205 -10.616 -4.31214 55.8621 -4.04601 -18.425 TIMING: 3607200 CPU: 11269.8, 0.00313606/step Wall: 11269.8, 0.00313606/step, 1.21331 hours remaining, 233.542969 MB of memory in use. ENERGY: 3607200 4002.2225 20582.3502 14374.0087 238.8227 -203682.3641 2842.9600 0.0000 0.0000 52072.4864 -109569.5136 299.2613 -161642.0000 -109207.3683 298.5437 114.6381 138.6565 763313.5674 4.2775 4.0892 PRESSURE: 3607400 228.202 167.682 -281.243 167.682 119.8 -122.153 -281.243 -122.154 172.893 GPRESSURE: 3607400 302.031 233.773 -307.142 176.181 101.028 -155.206 -200.248 -207.663 203.99 PRESSAVG: 3607400 23.2514 73.5879 -66.8056 73.5879 -51.4924 18.3141 -66.8056 18.3142 3.87233 GPRESSAVG: 3607400 24.309 72.4334 -67.3998 74.9883 -52.6088 19.856 -65.3289 16.9113 4.38871 TIMING: 3607400 CPU: 11270.4, 0.00315395/step Wall: 11270.4, 0.00315395/step, 1.22005 hours remaining, 233.542969 MB of memory in use. ENERGY: 3607400 3984.2965 20572.4966 14357.4896 241.9706 -203790.8752 2929.6416 0.0000 0.0000 52136.9397 -109568.0407 299.6317 -161704.9804 -109205.9676 298.8512 173.6314 202.3496 764008.4597 -8.1229 -7.9704 PRESSURE: 3607600 40.1277 61.5891 147.441 61.5891 8.36515 -50.51 147.441 -50.5087 -138.578 GPRESSURE: 3607600 107.57 2.49612 177.997 16.9734 3.44641 -97.8231 102.23 -118.13 -121.148 PRESSAVG: 3607600 21.1492 81.5302 9.64207 81.5302 -41.011 -13.0974 9.64211 -13.0974 -2.0534 GPRESSAVG: 3607600 20.3984 81.9659 9.77176 80.9575 -40.5864 -13.9169 9.96553 -13.8951 -1.26622 TIMING: 3607600 CPU: 11271, 0.00314535/step Wall: 11271, 0.00314535/step, 1.21655 hours remaining, 233.542969 MB of memory in use. ENERGY: 3607600 4011.3157 20553.1123 14500.4191 235.6865 -203561.6346 2693.4433 0.0000 0.0000 52097.5355 -109470.1223 299.4053 -161567.6578 -109094.4002 298.9599 -30.0283 -3.3772 762790.7470 -7.3051 -7.1514 PRESSURE: 3607800 257.894 66.8032 -212.489 66.8035 91.7656 -228.727 -212.488 -228.727 -113.975 GPRESSURE: 3607800 148.814 10.6204 -263.097 -23.4467 156.699 -164.995 -101.19 -155.869 -7.13538 PRESSAVG: 3607800 16.8787 22.8813 -11.5379 22.8814 -20.8217 -74.5131 -11.5379 -74.5131 5.84421 GPRESSAVG: 3607800 16.8759 22.8066 -11.5575 22.5212 -20.708 -73.0929 -10.8948 -72.6639 5.96437 TIMING: 3607800 CPU: 11271.6, 0.00313472/step Wall: 11271.6, 0.00313472/step, 1.21227 hours remaining, 233.542969 MB of memory in use. ENERGY: 3607800 4005.4066 20467.8422 14423.4387 246.2033 -203856.2228 2952.5789 0.0000 0.0000 52303.7111 -109457.0420 300.5901 -161760.7530 -109082.7660 299.5734 78.5616 99.4593 764632.3967 0.6337 0.7108 PRESSURE: 3608000 3.89454 50.0287 -84.1314 50.0291 -174.546 110.076 -84.1317 110.077 275.545 GPRESSURE: 3608000 -33.8847 -23.6921 -195.096 5.87639 -87.9727 65.1011 -43.7868 153.968 312.034 PRESSAVG: 3608000 21.4575 -11.3617 -9.1319 -11.3618 5.51335 -31.4231 -9.13187 -31.4231 -12.1966 GPRESSAVG: 3608000 21.2184 -11.5346 -10.762 -9.21255 6.00432 -31.6874 -11.1294 -33.3954 -12.6251 TIMING: 3608000 CPU: 11272.3, 0.0031353/step Wall: 11272.3, 0.0031353/step, 1.21232 hours remaining, 233.542969 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: 3608000 3957.6028 20414.4371 14548.7804 237.7702 -203694.2821 2907.0533 0.0000 0.0000 52039.7524 -109588.8859 299.0732 -161628.6383 -109232.6470 299.4115 34.9645 63.3920 765496.0257 4.9248 4.8659 PRESSURE: 3608200 36.9153 114.153 47.8932 114.153 -105.723 30.5641 47.8927 30.5624 66.7049 GPRESSURE: 3608200 27.998 15.1958 -37.2515 38.819 -67.1629 155.801 174.967 -43.1835 128.346 PRESSAVG: 3608200 29.4224 22.9367 -30.4989 22.9366 -52.2125 23.34 -30.4989 23.3401 -2.01675 GPRESSAVG: 3608200 28.8469 22.0484 -30.2809 21.27 -51.0337 24.5722 -29.3346 22.4734 -2.45296 TIMING: 3608200 CPU: 11272.9, 0.00312362/step Wall: 11272.9, 0.00312362/step, 1.20763 hours remaining, 233.542969 MB of memory in use. ENERGY: 3608200 3911.5915 20459.7312 14494.3692 257.7041 -203628.6729 2671.6556 0.0000 0.0000 52386.0497 -109447.5715 301.0633 -161833.6213 -109089.8759 298.7670 -0.7010 29.7270 762924.0564 -8.2689 -8.2132 LDB: ============= START OF LOAD BALANCING ============== 11285.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11285.4 LDB: =============== DONE WITH MIGRATION ================ 11285.4 LDB: ============= START OF LOAD BALANCING ============== 11285.7 LDB: Largest compute 7070 load 0.028701 is 14.7% of average load 0.195203 LDB: Average compute 0.004392 is 2.3% of average load 0.195203 LDB: TIME 11285.7 LOAD: AVG 0.195203 MAX 0.21341 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.824 MB LDB: TIME 11285.7 LOAD: AVG 0.195203 MAX 0.21341 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.891 MB LDB: TIME 11285.7 LOAD: AVG 0.195203 MAX 0.21341 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.891 MB LDB: ============== END OF LOAD BALANCING =============== 11285.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11285.7 PRESSURE: 3608400 256.9 143.443 11.7191 143.442 -334.454 105.592 11.7194 105.591 39.7622 GPRESSURE: 3608400 255.612 133.601 -64.9182 167.83 -235.539 191.34 20.3035 -48.7619 18.711 PRESSAVG: 3608400 33.5128 8.21542 -25.5072 8.21545 5.4795 -6.81368 -25.5072 -6.81368 16.9888 GPRESSAVG: 3608400 34.4035 8.97729 -24.7793 9.67539 4.43166 -8.30137 -24.1862 -4.17614 17.1908 TIMING: 3608400 CPU: 11273.5, 0.00321241/step Wall: 11273.5, 0.00321241/step, 1.24177 hours remaining, 234.054688 MB of memory in use. ENERGY: 3608400 4091.5865 20533.8339 14457.8973 250.9616 -203815.0992 2935.8457 0.0000 0.0000 52155.7422 -109389.2319 299.7398 -161544.9741 -109031.0313 299.4221 -12.5973 12.9281 762610.7458 18.6603 18.6753 PRESSURE: 3608600 270.642 -337.563 -420.43 -337.561 548.651 -62.7749 -420.429 -62.7755 51.735 GPRESSURE: 3608600 345.342 -284.522 -497.822 -208.994 527.443 -83.2299 -299.288 -28.6825 70.5816 PRESSAVG: 3608600 15.5186 17.6623 -42.9788 17.6623 -8.92433 -21.0882 -42.9787 -21.0881 -4.85515 GPRESSAVG: 3608600 14.9862 18.7668 -41.7764 20.1001 -8.12725 -21.6434 -44.845 -20.8915 -5.38722 TIMING: 3608600 CPU: 11274.2, 0.00312268/step Wall: 11274.2, 0.00312268/step, 1.20692 hours remaining, 234.054688 MB of memory in use. ENERGY: 3608600 3936.9476 20527.9753 14439.9377 244.8815 -203548.3954 3169.4233 0.0000 0.0000 51960.3879 -109268.8421 298.6171 -161229.2299 -108910.7429 299.1493 290.3423 314.4555 763474.2054 0.5797 0.4906 PRESSURE: 3608800 72.8962 65.4636 -51.217 65.4622 352.31 -243.53 -51.2182 -243.53 513.644 GPRESSURE: 3608800 148.405 6.39455 -80.1734 -33.5581 343.119 -201.053 23.5686 -254.63 513.14 PRESSAVG: 3608800 -43.9572 -19.8784 -55.3673 -19.8783 38.2426 -31.7617 -55.3673 -31.7617 -8.91161 GPRESSAVG: 3608800 -43.9769 -20.0491 -56.635 -21.4932 37.4815 -29.4706 -54.4012 -33.0766 -8.24847 TIMING: 3608800 CPU: 11274.8, 0.00312347/step Wall: 11274.8, 0.00312347/step, 1.20705 hours remaining, 234.054688 MB of memory in use. ENERGY: 3608800 3961.8262 20367.2073 14431.1143 243.8361 -203522.0855 2904.6848 0.0000 0.0000 52199.9138 -109413.5031 299.9936 -161613.4169 -109046.4022 299.8800 312.9500 334.8882 763696.6892 -4.8754 -4.9146 PRESSURE: 3609000 -154.869 -228.125 120.716 -228.124 -52.1226 -25.8066 120.717 -25.8061 -55.1835 GPRESSURE: 3609000 -160.163 -188.867 158.528 -165.616 36.1646 68.3007 -66.7367 -17.0724 -48.4578 PRESSAVG: 3609000 -29.0669 26.0686 -45.5808 26.0687 12.3536 35.2197 -45.5808 35.2197 -9.8945 GPRESSAVG: 3609000 -29.2774 26.4661 -45.5919 26.4349 12.4098 36.005 -44.7861 37.7025 -9.75646 TIMING: 3609000 CPU: 11275.4, 0.00314928/step Wall: 11275.4, 0.00314928/step, 1.21685 hours remaining, 234.054688 MB of memory in use. ENERGY: 3609000 3971.8921 20459.0203 14430.9834 236.3097 -202912.5004 2375.0549 0.0000 0.0000 52219.0357 -109220.2043 300.1035 -161439.2400 -108854.4740 299.1684 -87.3916 -57.4852 763099.7673 -8.8693 -8.8747 PRESSURE: 3609200 183.173 -43.4871 9.04714 -43.487 198.564 -201.5 9.04669 -201.501 121.557 GPRESSURE: 3609200 251.386 2.72761 -34.9288 -16.0805 230.706 -131.415 54.4733 -125.403 115.983 PRESSAVG: 3609200 7.76768 4.39197 -6.58025 4.39189 -5.31664 -35.1799 -6.58023 -35.1798 9.19134 GPRESSAVG: 3609200 8.58609 4.88514 -5.84462 3.36316 -5.27749 -35.588 -8.65031 -38.287 8.83547 TIMING: 3609200 CPU: 11276, 0.00314098/step Wall: 11276, 0.00314098/step, 1.21347 hours remaining, 234.054688 MB of memory in use. ENERGY: 3609200 3982.8382 20484.7322 14443.8474 247.5750 -203197.0901 2685.9972 0.0000 0.0000 52074.0695 -109278.0307 299.2704 -161352.1002 -108920.0092 299.9303 167.7649 199.3585 761540.4878 3.8808 4.0480 PRESSURE: 3609400 222.473 -49.7351 -126.697 -49.7354 137.54 -95.5786 -126.697 -95.5778 -48.9372 GPRESSURE: 3609400 232.845 -69.0983 -36.2526 -67.5507 199.105 -170.374 -164.439 -52.2268 -51.738 PRESSAVG: 3609400 -61.585 15.7073 16.134 15.7073 34.9279 -29.4433 16.134 -29.4432 17.6408 GPRESSAVG: 3609400 -61.9085 13.9792 16.9148 15.0848 35.0557 -31.8867 17.5143 -27.6026 17.2122 TIMING: 3609400 CPU: 11276.7, 0.00313651/step Wall: 11276.7, 0.00313651/step, 1.21156 hours remaining, 234.054688 MB of memory in use. ENERGY: 3609400 3953.0253 20612.4376 14422.7493 247.0885 -203330.1728 2713.2905 0.0000 0.0000 52004.1607 -109377.4210 298.8686 -161381.5816 -109013.7960 299.5726 103.6921 126.7375 761352.2986 -3.0054 -3.2135 PRESSURE: 3609600 129.529 58.3776 192.107 58.377 147.458 -68.5541 192.107 -68.5533 221.869 GPRESSURE: 3609600 152.058 9.17666 108.755 -84.2663 185.675 -183.528 213.37 12.6804 244.567 PRESSAVG: 3609600 12.5475 -0.747367 16.4337 -0.747365 21.0661 -18.1428 16.4336 -18.1428 -30.9634 GPRESSAVG: 3609600 12.273 1.68466 16.1852 -3.18479 20.284 -18.0692 17.6246 -15.4437 -30.0362 TIMING: 3609600 CPU: 11277.3, 0.00312207/step Wall: 11277.3, 0.00312207/step, 1.20581 hours remaining, 234.054688 MB of memory in use. ENERGY: 3609600 3962.9718 20587.7863 14441.8279 258.9058 -203555.7883 2738.0530 0.0000 0.0000 51972.4088 -109593.8347 298.6861 -161566.2436 -109231.0212 298.9954 166.2856 194.1001 761194.7197 0.8834 0.8403 PRESSURE: 3609800 139.266 38.062 151.07 38.062 224.454 -13.7638 151.07 -13.7628 86.7097 GPRESSURE: 3609800 220.069 123.918 140.203 114.605 208.811 71.6611 145.621 -4.47622 102.521 PRESSAVG: 3609800 -24.6507 -8.59248 -10.8142 -8.59247 25.8549 -12.9919 -10.8141 -12.992 -18.7499 GPRESSAVG: 3609800 -24.6555 -9.96406 -10.4239 -6.04268 26.2777 -10.7442 -12.8559 -16.6283 -19.4941 TIMING: 3609800 CPU: 11277.9, 0.00312873/step Wall: 11277.9, 0.00312873/step, 1.20821 hours remaining, 234.054688 MB of memory in use. ENERGY: 3609800 3875.6450 20534.5276 14468.9881 256.0382 -203556.7557 2884.0816 0.0000 0.0000 51943.8944 -109593.5808 298.5223 -161537.4751 -109233.0082 298.4605 150.1433 177.1338 762292.0534 -5.8486 -5.9573 PRESSURE: 3610000 -221.629 222.42 -228.043 222.419 -94.5411 -153.911 -228.044 -153.913 -286.856 GPRESSURE: 3610000 -229.246 101.509 -238.243 125.577 -66.1686 -224.984 -113.084 -141.628 -211.74 PRESSAVG: 3610000 -51.0149 9.45683 -36.9089 9.45678 61.4633 20.9399 -36.9088 20.9399 -16.2328 GPRESSAVG: 3610000 -51.8215 7.89399 -37.6445 8.51837 60.1085 21.2531 -36.4418 20.4911 -13.809 TIMING: 3610000 CPU: 11278.5, 0.0031147/step Wall: 11278.5, 0.0031147/step, 1.20262 hours remaining, 234.054688 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: 3610000 3958.4699 20512.8040 14418.9816 256.4957 -203396.6902 2663.3741 0.0000 0.0000 52002.2634 -109584.3015 298.8577 -161586.5649 -109213.2638 298.9334 -201.0088 -169.0517 761517.3195 -1.9281 -1.8407 PRESSURE: 3610200 -192.264 206.584 270.99 206.583 -92.2499 97.3566 270.99 97.3562 67.5027 GPRESSURE: 3610200 -66.7142 233.467 257.11 214.716 -117.504 87.1453 226.371 75.5691 45.0631 PRESSAVG: 3610200 -40.8279 -21.2571 -52.4186 -21.2571 68.6951 -23.8715 -52.4186 -23.8715 -7.71442 GPRESSAVG: 3610200 -39.5086 -20.742 -51.1519 -20.1623 69.72 -26.5847 -54.342 -21.5391 -9.57385 TIMING: 3610200 CPU: 11279.2, 0.00312253/step Wall: 11279.2, 0.00312253/step, 1.20547 hours remaining, 234.054688 MB of memory in use. ENERGY: 3610200 3906.2296 20738.5374 14457.7301 254.7040 -203064.1659 2307.7925 0.0000 0.0000 51706.0169 -109693.1554 297.1552 -161399.1723 -109339.5854 298.7527 -72.3369 -46.3851 762020.2630 6.7176 6.8792 PRESSURE: 3610400 26.3781 55.6401 -137.303 55.6418 -69.2526 150.784 -137.303 150.785 -130.496 GPRESSURE: 3610400 -8.31835 84.0151 -85.2791 4.41037 -18.8826 60.8587 -174.979 25.6197 -98.0045 PRESSAVG: 3610400 -17.3242 7.58925 16.8368 7.58918 33.7106 13.5016 16.8369 13.5016 19.578 GPRESSAVG: 3610400 -17.5782 8.71324 14.6156 7.4152 34.1456 15.4256 20.1046 12.667 18.9036 TIMING: 3610400 CPU: 11279.8, 0.00311425/step Wall: 11279.8, 0.00311425/step, 1.2021 hours remaining, 234.054688 MB of memory in use. ENERGY: 3610400 3973.8676 20499.1044 14458.3101 259.3699 -203466.2059 2625.6722 0.0000 0.0000 52086.9808 -109562.9008 299.3446 -161649.8817 -109200.4061 298.3581 -57.7902 -41.7352 760210.8418 11.9881 11.8237 PRESSURE: 3610600 -418.711 118.548 195.567 118.548 -353.042 22.9794 195.566 22.9785 -34.1913 GPRESSURE: 3610600 -360.981 50.0808 240.699 120.993 -296.648 -32.5279 137.113 40.7451 -65.506 PRESSAVG: 3610600 -2.78291 -23.7846 0.318814 -23.7845 -63.1404 -14.1854 0.318782 -14.1854 -2.68384 GPRESSAVG: 3610600 -2.30696 -24.2736 0.600248 -23.546 -63.9973 -15.1415 -2.10536 -16.3315 -2.71175 TIMING: 3610600 CPU: 11280.4, 0.00313538/step Wall: 11280.4, 0.00313538/step, 1.21008 hours remaining, 234.054688 MB of memory in use. ENERGY: 3610600 4024.8831 20447.3999 14464.8205 236.0708 -203584.3857 2523.9005 0.0000 0.0000 52075.6689 -109811.6420 299.2796 -161887.3109 -109437.3783 298.4665 -268.6479 -241.0449 761141.7748 -22.8690 -23.0053 PRESSURE: 3610800 -35.6949 -127.152 90.6197 -127.151 218.946 6.2516 90.6199 6.25268 214.725 GPRESSURE: 3610800 121.415 -73.5798 91.5653 -7.89875 169.312 -5.82229 203.917 22.515 211.368 PRESSAVG: 3610800 -10.5584 -1.32706 -1.58703 -1.32705 14.1907 7.22015 -1.58707 7.22014 24.8514 GPRESSAVG: 3610800 -10.9538 0.789908 -0.0932983 -2.29792 14.3118 6.7918 0.617599 9.33078 25.5226 TIMING: 3610800 CPU: 11281, 0.00315008/step Wall: 11281, 0.00315008/step, 1.21558 hours remaining, 234.054688 MB of memory in use. ENERGY: 3610800 3950.7867 20431.1110 14419.5654 233.2746 -203882.5278 2945.6635 0.0000 0.0000 52295.0573 -109607.0694 300.5404 -161902.1266 -109242.4321 298.6572 132.6587 167.3650 761286.0406 9.4946 9.6268 PRESSURE: 3611000 -57.9053 13.2575 239.271 13.2566 -41.7949 -58.9524 239.27 -58.9526 -362.582 GPRESSURE: 3611000 6.37911 -18.6774 195.933 17.5878 -25.0883 -122.579 254.776 22.3647 -353.695 PRESSAVG: 3611000 -33.819 6.74708 3.52739 6.74702 7.03875 -6.53832 3.52739 -6.53833 -8.45528 GPRESSAVG: 3611000 -33.5512 5.51038 2.43591 6.55064 6.9603 -5.52382 3.94375 -9.10921 -8.88297 TIMING: 3611000 CPU: 11281.7, 0.00315443/step Wall: 11281.7, 0.00315443/step, 1.21708 hours remaining, 234.054688 MB of memory in use. ENERGY: 3611000 4025.6789 20506.3258 14375.3876 249.4812 -203348.9370 2643.0244 0.0000 0.0000 52066.6257 -109482.4135 299.2276 -161549.0391 -109115.2092 298.8608 -154.0941 -124.1346 761323.5163 -11.7452 -11.8246 PRESSURE: 3611200 -344.573 -84.3944 -30.0968 -84.3938 -406.365 280.958 -30.0975 280.958 -500.435 GPRESSURE: 3611200 -355.438 -61.6983 -0.774875 66.332 -385.215 299.009 -27.593 130.611 -420.172 PRESSAVG: 3611200 -0.628421 -36.3967 14.7949 -36.3967 -6.76105 11.1397 14.7949 11.1398 29.7985 GPRESSAVG: 3611200 -0.810243 -37.9909 14.9274 -34.0909 -5.94491 10.8569 14.7185 13.6363 29.0777 TIMING: 3611200 CPU: 11282.3, 0.00314628/step Wall: 11282.3, 0.00314628/step, 1.21377 hours remaining, 234.054688 MB of memory in use. ENERGY: 3611200 3984.3584 20354.9883 14480.3055 230.2287 -203014.6035 2454.3304 0.0000 0.0000 52089.7258 -109420.6664 299.3604 -161510.3922 -109052.3137 298.8014 -417.1241 -386.9416 762230.5129 7.4697 7.4408 PRESSURE: 3611400 83.227 -61.4899 51.0373 -61.4904 -170.691 289.377 51.0365 289.376 167.193 GPRESSURE: 3611400 119.642 126.175 25.6303 -99.5914 -166.596 236.535 -1.84967 310.474 193.159 PRESSAVG: 3611400 7.64619 -46.1183 -2.23824 -46.1182 -14.3392 -65.2115 -2.23828 -65.2114 -29.5405 GPRESSAVG: 3611400 8.38631 -42.8846 -1.55034 -48.5498 -15.073 -66.6211 -1.80352 -66.4586 -28.5402 TIMING: 3611400 CPU: 11282.9, 0.00315295/step Wall: 11282.9, 0.00315295/step, 1.21616 hours remaining, 234.054688 MB of memory in use. ENERGY: 3611400 4043.6104 20448.9968 14456.4861 244.5685 -203080.6870 2443.6508 0.0000 0.0000 51923.3235 -109520.0510 298.4041 -161443.3744 -109153.2330 298.6900 26.5760 48.7346 761659.3598 -12.0778 -11.7423 PRESSURE: 3611600 -155.323 -90.4642 228.534 -90.4643 -68.001 98.0122 228.533 98.0118 -306.048 GPRESSURE: 3611600 -196.2 -171.174 272.431 -55.3331 36.1438 29.1183 153.031 194.327 -302.048 PRESSAVG: 3611600 21.1178 -40.9443 -21.9618 -40.9443 -33.5112 -45.9646 -21.9618 -45.9645 0.416742 GPRESSAVG: 3611600 20.8177 -43.5448 -22.203 -40.5552 -32.7375 -43.4791 -23.7439 -45.386 -0.267296 TIMING: 3611600 CPU: 11283.6, 0.00315909/step Wall: 11283.6, 0.00315909/step, 1.21836 hours remaining, 234.054688 MB of memory in use. ENERGY: 3611600 4017.7676 20569.3229 14484.7367 230.7098 -203491.5376 2845.6793 0.0000 0.0000 51726.6926 -109616.6286 297.2740 -161343.3212 -109262.5542 298.4942 -176.4573 -154.0348 762304.5380 -3.9922 -4.0624 PRESSURE: 3611800 320.898 119.32 -158.945 119.32 -100.767 -200.226 -158.944 -200.227 -426.086 GPRESSURE: 3611800 362.496 -29.265 -92.8431 110.791 -48.3725 -155.356 -182.485 -227.748 -429.905 PRESSAVG: 3611800 -12.195 16.2536 40.5403 16.2536 54.8632 -75.7522 40.5403 -75.7522 -4.32968 GPRESSAVG: 3611800 -11.3225 15.6562 39.6047 16.0979 52.9831 -77.6863 40.2033 -73.7833 -4.27441 TIMING: 3611800 CPU: 11284.2, 0.00313586/step Wall: 11284.2, 0.00313586/step, 1.20922 hours remaining, 234.054688 MB of memory in use. ENERGY: 3611800 3989.6385 20489.6029 14436.0664 237.8354 -203205.7963 2431.4529 0.0000 0.0000 51979.3009 -109641.8994 298.7258 -161621.2002 -109273.0602 298.5137 -68.6513 -38.5939 762573.0375 12.7795 12.4621 PRESSURE: 3612000 68.8225 2.28279 2.22677 2.28268 84.429 -305.157 2.22726 -305.157 208.352 GPRESSURE: 3612000 94.3507 -98.4708 -7.77396 -31.7584 111.684 -292.314 -32.1131 -152.369 254.917 PRESSAVG: 3612000 3.12838 -17.5376 -20.0182 -17.5376 13.201 -48.7312 -20.0183 -48.7313 2.44177 GPRESSAVG: 3612000 2.95558 -17.3756 -19.16 -18.0608 12.4842 -47.0966 -18.6599 -50.9731 3.56047 TIMING: 3612000 CPU: 11284.8, 0.00316631/step Wall: 11284.8, 0.00316631/step, 1.22079 hours remaining, 234.054688 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: 3612000 3965.2491 20503.6948 14482.7257 235.6837 -203500.1650 2630.6662 0.0000 0.0000 52243.7609 -109438.3846 300.2456 -161682.1456 -109080.8061 298.7808 120.5344 153.6504 762203.2394 6.2571 6.3334 PRESSURE: 3612200 -352.2 115.597 78.9199 115.597 -116.271 52.2452 78.9202 52.2461 -109.577 GPRESSURE: 3612200 -302.852 99.5048 32.9344 217.549 -107.968 -54.1194 -39.0399 54.6729 -86.9453 PRESSAVG: 3612200 28.6193 9.2591 -40.2016 9.25905 -10.2856 1.67098 -40.2016 1.67099 -2.21814 GPRESSAVG: 3612200 29.048 10.9625 -39.9559 9.30841 -9.99422 1.53575 -42.0693 2.03978 -2.8802 TIMING: 3612200 CPU: 11285.5, 0.00313767/step Wall: 11285.5, 0.00313767/step, 1.20957 hours remaining, 234.054688 MB of memory in use. ENERGY: 3612200 4028.3732 20555.0456 14470.1010 247.5608 -203068.2212 2393.6955 0.0000 0.0000 52065.2686 -109308.1765 299.2198 -161373.4451 -108943.6511 299.3793 -192.6825 -165.9220 762408.3138 5.3719 5.3912 LDB: ============= START OF LOAD BALANCING ============== 11297.9 LDB: ============== END OF LOAD BALANCING =============== 11297.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11297.9 LDB: ============= START OF LOAD BALANCING ============== 11298.3 LDB: Largest compute 7070 load 0.031686 is 16.2% of average load 0.195244 LDB: Average compute 0.004375 is 2.2% of average load 0.195244 LDB: TIME 11298.3 LOAD: AVG 0.195244 MAX 0.213018 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.758 MB LDB: TIME 11298.3 LOAD: AVG 0.195244 MAX 0.213018 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.828 MB LDB: TIME 11298.3 LOAD: AVG 0.195244 MAX 0.213018 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.828 MB LDB: ============== END OF LOAD BALANCING =============== 11298.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11298.3 PRESSURE: 3612400 -9.51406 236.352 -65.4232 236.351 -447.004 -107.814 -65.4229 -107.813 -58.9916 GPRESSURE: 3612400 -77.9433 203.21 3.24232 253.313 -313.574 -134.421 -2.80318 -125.886 -48.4959 PRESSAVG: 3612400 5.50519 -9.25331 12.0313 -9.25332 -45.0452 -40.3837 12.0313 -40.3837 19.3541 GPRESSAVG: 3612400 5.9998 -11.2711 13.6195 -7.71638 -44.4329 -39.3168 12.0389 -42.1874 18.0111 TIMING: 3612400 CPU: 11286.1, 0.00319068/step Wall: 11286.1, 0.00319068/step, 1.22983 hours remaining, 233.992188 MB of memory in use. ENERGY: 3612400 4010.4376 20558.0697 14434.9078 252.2307 -203221.9672 2421.4003 0.0000 0.0000 52098.1324 -109446.7887 299.4087 -161544.9211 -109085.2770 298.6419 -171.8367 -146.6711 762744.7735 -6.7286 -6.8073 PRESSURE: 3612600 -53.5108 -29.9997 42.4672 -30.0004 41.9105 -151.348 42.4663 -151.349 268.982 GPRESSURE: 3612600 27.9839 -69.2449 63.2325 105.465 32.2055 -233.215 -2.90252 -119.051 240.185 PRESSAVG: 3612600 60.3631 17.568 -48.4034 17.568 -3.0949 -82.567 -48.4034 -82.567 -3.09855 GPRESSAVG: 3612600 58.7347 19.5643 -52.1809 18.0868 -2.53378 -83.7463 -45.5432 -80.711 -2.18106 TIMING: 3612600 CPU: 11286.7, 0.00312053/step Wall: 11286.7, 0.00312053/step, 1.20262 hours remaining, 234.195312 MB of memory in use. ENERGY: 3612600 3973.1242 20532.8374 14448.6755 236.9342 -203170.5615 2637.3529 0.0000 0.0000 52132.4125 -109209.2247 299.6057 -161341.6372 -108850.9304 299.4504 85.7938 100.1249 762096.5505 18.0565 18.0066 PRESSURE: 3612800 -167.39 65.2256 12.6546 65.2256 62.5951 177.147 12.6536 177.147 284.088 GPRESSURE: 3612800 -46.0349 68.6037 89.1366 56.1375 120.655 149.947 -19.7214 139.94 182.931 PRESSAVG: 3612800 -50.1174 16.8348 -69.7795 16.8348 53.1932 -29.1116 -69.7795 -29.1116 5.81936 GPRESSAVG: 3612800 -48.8853 16.3981 -67.504 16.5697 52.1165 -28.5802 -71.6873 -29.4172 5.42087 TIMING: 3612800 CPU: 11287.3, 0.00312493/step Wall: 11287.3, 0.00312493/step, 1.20414 hours remaining, 234.195312 MB of memory in use. ENERGY: 3612800 3999.5750 20564.9683 14493.7935 237.4538 -203302.1660 2797.1892 0.0000 0.0000 52165.5457 -109043.6405 299.7961 -161209.1862 -108680.1838 299.7445 59.7642 85.8504 761943.7826 2.9650 2.8840 PRESSURE: 3613000 214.035 101.003 -60.2596 101.004 -44.4789 170.989 -60.2601 170.99 -98.2472 GPRESSURE: 3613000 257.852 11.6045 -15.4347 -5.48523 1.37774 160.729 -129.816 154.477 -95.3434 PRESSAVG: 3613000 -4.76964 14.2 19.1549 14.2 -9.00685 21.1424 19.1549 21.1425 22.2648 GPRESSAVG: 3613000 -6.34594 14.6209 19.8178 14.1254 -7.60758 21.8866 19.3132 20.1434 22.5521 TIMING: 3613000 CPU: 11288, 0.00312026/step Wall: 11288, 0.00312026/step, 1.20217 hours remaining, 234.195312 MB of memory in use. ENERGY: 3613000 3930.2828 20414.2143 14403.7847 242.8083 -203094.7743 2737.1303 0.0000 0.0000 52107.5557 -109258.9981 299.4628 -161366.5538 -108884.0178 299.4588 23.7697 54.6287 763057.7755 2.8294 2.8662 PRESSURE: 3613200 -92.3436 105.532 -67.2229 105.533 -30.7641 110.529 -67.2232 110.529 13.3445 GPRESSURE: 3613200 -146.574 59.4646 -110.735 29.6997 128.878 109.622 -45.0846 133.047 -9.52511 PRESSAVG: 3613200 75.5977 -4.32749 -32.0032 -4.32755 -34.1501 -36.8907 -32.0032 -36.8907 5.03616 GPRESSAVG: 3613200 75.9901 -7.1813 -31.6253 -4.94018 -35.1066 -38.2653 -33.1601 -36.6238 5.10603 TIMING: 3613200 CPU: 11288.6, 0.00313435/step Wall: 11288.6, 0.00313435/step, 1.20742 hours remaining, 234.195312 MB of memory in use. ENERGY: 3613200 3994.1018 20590.4454 14392.3736 249.4665 -203300.0005 2469.8953 0.0000 0.0000 52179.3977 -109424.3201 299.8757 -161603.7178 -109079.5268 299.2506 -36.5877 -9.0735 762240.3921 15.4946 15.3298 PRESSURE: 3613400 72.4769 -105.78 15.92 -105.78 263.914 126.601 15.9207 126.601 -91.8425 GPRESSURE: 3613400 91.5429 -186.046 46.5852 76.4207 309.282 39.3688 145.785 -45.8494 -79.3686 PRESSAVG: 3613400 -48.9905 -70.4487 33.377 -70.4487 47.4422 -45.0277 33.377 -45.0277 -8.24302 GPRESSAVG: 3613400 -48.242 -67.8418 32.4366 -71.4847 47.4218 -46.2175 34.2126 -43.9222 -8.52312 TIMING: 3613400 CPU: 11289.2, 0.00310692/step Wall: 11289.2, 0.00310692/step, 1.19668 hours remaining, 234.195312 MB of memory in use. ENERGY: 3613400 4008.5706 20551.3510 14529.3854 231.9190 -203776.2729 2994.1820 0.0000 0.0000 52021.1431 -109439.7219 298.9662 -161460.8650 -109081.0895 299.1933 81.5162 107.1521 761236.6194 -3.2638 -3.1144 PRESSURE: 3613600 -16.5838 -184.153 167.519 -184.154 385.697 41.6371 167.519 41.6373 66.2263 GPRESSURE: 3613600 28.291 -155.446 128.522 -188.54 376.788 128.642 316.564 104.591 119.753 PRESSAVG: 3613600 -12.9656 -29.8272 22.6918 -29.8271 2.38893 5.13947 22.6918 5.13952 -1.23284 GPRESSAVG: 3613600 -14.0762 -30.4004 22.2942 -27.4191 3.02248 7.25253 22.8324 4.41753 -1.00925 TIMING: 3613600 CPU: 11289.8, 0.00311694/step Wall: 11289.8, 0.00311694/step, 1.20037 hours remaining, 234.195312 MB of memory in use. ENERGY: 3613600 3975.6554 20661.4182 14411.3783 258.8320 -203442.6856 2800.8909 0.0000 0.0000 52060.0499 -109274.4609 299.1898 -161334.5108 -108904.8124 299.3637 145.1132 174.9439 761968.8334 -3.9365 -4.0210 PRESSURE: 3613800 387.683 132.268 -78.8504 132.267 82.9269 -288.378 -78.8502 -288.378 376.733 GPRESSURE: 3613800 272.864 125.736 -34.393 48.4131 232.068 -243.438 -92.1477 -245.797 439.602 PRESSAVG: 3613800 -11.7071 -33.9903 -2.33617 -33.9903 -1.76102 -69.0033 -2.33619 -69.0033 10.8137 GPRESSAVG: 3613800 -9.90557 -35.4344 0.0657898 -35.6564 -4.44605 -68.4527 -4.7463 -68.6805 11.3746 TIMING: 3613800 CPU: 11290.5, 0.00314016/step Wall: 11290.5, 0.00314016/step, 1.20914 hours remaining, 234.195312 MB of memory in use. ENERGY: 3613800 3955.5751 20538.0421 14502.7964 231.2283 -203701.3154 3016.6971 0.0000 0.0000 52187.2745 -109269.7020 299.9210 -161456.9765 -108922.1585 299.5353 282.4476 314.8445 761207.6761 -0.8848 -0.9923 PRESSURE: 3614000 216.262 -14.2012 -4.54699 -14.2011 -3.81748 42.3892 -4.54839 42.3901 317.15 GPRESSURE: 3614000 212.648 -49.5297 41.0373 -69.958 67.8281 86.4936 -74.8421 -17.5025 332.452 PRESSAVG: 3614000 44.8766 -10.9012 -7.18064 -10.9011 -45.5128 13.2791 -7.18065 13.2791 2.59218 GPRESSAVG: 3614000 43.3239 -7.13673 -8.06066 -11.1399 -42.6354 11.4952 -6.44742 12.1978 1.66197 TIMING: 3614000 CPU: 11291.1, 0.00317232/step Wall: 11291.1, 0.00317232/step, 1.22134 hours remaining, 234.195312 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: 3614000 3911.5043 20559.3710 14460.2626 248.3464 -203538.9474 3006.5939 0.0000 0.0000 51949.3862 -109403.4830 298.5538 -161352.8692 -109038.3923 299.1619 176.5313 204.3095 761331.5592 0.6520 0.7835 PRESSURE: 3614200 -111.967 -183.548 -127.132 -183.547 -2.42921 73.587 -127.132 73.5874 281.743 GPRESSURE: 3614200 -9.64769 -145.298 -56.8594 -149.842 -49.6533 93.7947 -215.821 56.7104 306.369 PRESSAVG: 3614200 -1.60677 -21.9922 -52.2813 -21.9922 27.3916 18.8648 -52.2812 18.8648 25.7969 GPRESSAVG: 3614200 -0.496383 -24.7137 -51.8631 -21.3269 25.3959 20.7951 -52.3121 18.6935 26.157 TIMING: 3614200 CPU: 11291.7, 0.00314526/step Wall: 11291.7, 0.00314526/step, 1.21075 hours remaining, 234.195312 MB of memory in use. ENERGY: 3614200 4014.7443 20617.7060 14429.1198 261.7187 -203271.1304 2639.6677 0.0000 0.0000 51953.6577 -109354.5163 298.5784 -161308.1740 -108993.5510 298.8711 55.7821 82.3560 761571.6965 17.1939 17.0188 PRESSURE: 3614400 -133.643 -82.644 -35.1329 -82.6434 -64.9735 32.2824 -35.1327 32.2824 -66.9216 GPRESSURE: 3614400 -32.3124 -52.8176 28.7146 -119.77 -50.8743 117.027 93.9956 59.688 -92.7034 PRESSAVG: 3614400 -7.84208 -11.6219 22.8283 -11.6219 26.4131 18.8075 22.8284 18.8074 -6.63895 GPRESSAVG: 3614400 -9.64756 -10.4055 22.3672 -11.151 27.8744 16.5087 22.3831 20.2122 -6.65123 TIMING: 3614400 CPU: 11292.4, 0.00313408/step Wall: 11292.4, 0.00313408/step, 1.20627 hours remaining, 234.195312 MB of memory in use. ENERGY: 3614400 4003.9831 20603.2739 14436.4111 243.0563 -203223.1054 2502.6528 0.0000 0.0000 52125.0549 -109308.6734 299.5634 -161433.7283 -108942.8395 299.2209 -88.5126 -58.6300 762278.7227 3.9774 3.8585 PRESSURE: 3614600 43.0833 -270.633 -34.2646 -270.632 -163.901 -276.625 -34.2651 -276.626 -30.0703 GPRESSURE: 3614600 160.101 -284.6 -9.33805 -279.558 -176.137 -286.375 19.5238 -124.158 -62.6082 PRESSAVG: 3614600 1.3549 46.1357 -23.081 46.1357 12.5172 11.5814 -23.081 11.5813 -15.3284 GPRESSAVG: 3614600 2.43567 44.3636 -21.9155 44.8124 11.5995 13.4626 -24.4208 11.7285 -16.0602 TIMING: 3614600 CPU: 11293, 0.00313449/step Wall: 11293, 0.00313449/step, 1.20626 hours remaining, 234.195312 MB of memory in use. ENERGY: 3614600 4042.4740 20478.5743 14474.0290 243.4194 -203314.4879 2661.9072 0.0000 0.0000 52038.0821 -109376.0018 299.0636 -161414.0839 -109002.5112 299.1998 -50.2960 -26.2147 763908.5514 -0.4854 -0.6750 PRESSURE: 3614800 6.45243 130.588 93.4463 130.589 -164.356 -15.6652 93.4472 -15.6648 -0.870544 GPRESSURE: 3614800 16.788 146.075 71.5421 139.809 -80.2263 -4.77502 1.13128 -18.3658 -3.92823 PRESSAVG: 3614800 -23.9063 12.2924 -25.2016 12.2924 36.1888 31.8078 -25.2016 31.8078 -22.4376 GPRESSAVG: 3614800 -24.617 13.2571 -25.2515 13.3238 36.5928 30.2712 -24.2333 30.5572 -22.187 TIMING: 3614800 CPU: 11293.6, 0.00310309/step Wall: 11293.6, 0.00310309/step, 1.194 hours remaining, 234.195312 MB of memory in use. ENERGY: 3614800 3973.1597 20659.2317 14457.5441 217.3070 -203259.0731 2719.1118 0.0000 0.0000 52080.0404 -109152.6786 299.3047 -161232.7189 -108797.0042 299.0830 -52.9248 -22.4555 762369.1217 -3.3851 -3.4037 PRESSURE: 3615000 -86.4394 -338.178 -151.513 -338.177 178.935 -151.168 -151.513 -151.167 587.628 GPRESSURE: 3615000 -71.2471 -262.954 1.51133 -253.782 236.563 -81.3641 -267.669 -149.682 584.36 PRESSAVG: 3615000 -40.3922 -39.0823 -0.58073 -39.0823 17.2856 -30.0621 -0.580691 -30.0623 -1.35968 GPRESSAVG: 3615000 -40.5168 -38.8304 -0.351483 -39.1413 16.125 -29.5035 -0.669245 -28.6277 -0.0175685 TIMING: 3615000 CPU: 11294.2, 0.00313024/step Wall: 11294.2, 0.00313024/step, 1.20427 hours remaining, 234.195312 MB of memory in use. ENERGY: 3615000 3996.1182 20442.4739 14457.4263 243.5487 -203295.9099 2679.4656 0.0000 0.0000 51890.9537 -109585.9235 298.2180 -161476.8772 -109216.9679 298.6324 226.7078 249.8920 762013.6745 -8.1554 -8.1365 PRESSURE: 3615200 10.1238 295.914 -36.9672 295.915 17.0098 59.9901 -36.9683 59.9887 -55.189 GPRESSURE: 3615200 81.9229 186.621 -55.8925 161.593 47.0997 127.155 44.0297 -43.0646 -86.4536 PRESSAVG: 3615200 5.1689 -24.8019 2.44934 -24.8018 8.42918 -23.6065 2.44929 -23.6065 -4.52557 GPRESSAVG: 3615200 4.7314 -26.7667 1.28638 -24.8427 8.32612 -24.1153 3.00655 -24.2186 -4.16839 TIMING: 3615200 CPU: 11294.9, 0.00314607/step Wall: 11294.9, 0.00314607/step, 1.21019 hours remaining, 234.195312 MB of memory in use. ENERGY: 3615200 3872.9073 20388.3704 14502.4708 252.9271 -203454.6302 2647.1184 0.0000 0.0000 51975.6393 -109815.1969 298.7047 -161790.8362 -109448.6545 297.7519 -9.3518 14.1897 762230.2577 3.0242 2.9630 PRESSURE: 3615400 -70.6712 250.015 -218.101 250.015 14.7434 -65.1687 -218.101 -65.1684 -84.5456 GPRESSURE: 3615400 38.8827 292.194 -240.792 198.897 -20.5898 -21.0238 -142.237 -99.9511 -107.358 PRESSAVG: 3615400 2.04488 29.5074 -2.10185 29.5073 -15.9753 -7.11514 -2.10184 -7.11516 -1.25868 GPRESSAVG: 3615400 3.11556 30.8505 -1.33871 28.7926 -15.5177 -6.30186 -2.17938 -8.00974 -2.40833 TIMING: 3615400 CPU: 11295.5, 0.0031607/step Wall: 11295.5, 0.0031607/step, 1.21564 hours remaining, 234.195312 MB of memory in use. ENERGY: 3615400 4005.7165 20590.4605 14418.8210 248.2415 -203248.4671 2412.2906 0.0000 0.0000 51905.7860 -109667.1510 298.3033 -161572.9370 -109310.5242 298.9236 -46.8245 -29.6883 762795.9584 -5.0630 -4.9368 PRESSURE: 3615600 -60.4679 212.29 -164.446 212.29 130.43 -13.4359 -164.446 -13.4346 112.383 GPRESSURE: 3615600 36.2559 177.696 -132.929 222.755 56.0298 -36.0385 -218.059 39.5669 171.046 PRESSAVG: 3615600 -49.9197 -0.942426 22.5733 -0.942436 -15.7646 -12.9193 22.5733 -12.9192 20.1803 GPRESSAVG: 3615600 -49.7707 -1.63848 22.1926 -0.949148 -15.9812 -12.8974 23.3482 -12.1707 20.4894 TIMING: 3615600 CPU: 11296.1, 0.00313345/step Wall: 11296.1, 0.00313345/step, 1.20498 hours remaining, 234.195312 MB of memory in use. ENERGY: 3615600 3982.2160 20495.7916 14451.9241 233.6999 -203571.0262 2738.6579 0.0000 0.0000 52087.6465 -109581.0902 299.3484 -161668.7367 -109220.7357 298.5099 60.7817 87.7771 761940.8268 -15.1680 -15.0875 PRESSURE: 3615800 -406.793 -20.8888 139.817 -20.8886 -2.85896 22.0768 139.818 22.0761 -90.4113 GPRESSURE: 3615800 -328.923 86.2629 166.254 -18.9443 89.1058 -35.2927 38.0073 38.1256 -175.526 PRESSAVG: 3615800 -4.01343 -31.033 48.4754 -31.033 -12.7214 14.9366 48.4753 14.9366 18.1313 GPRESSAVG: 3615800 -5.0053 -32.3396 45.5844 -29.0885 -11.534 14.3068 48.9265 13.6665 17.4741 TIMING: 3615800 CPU: 11296.8, 0.00316606/step Wall: 11296.8, 0.00316606/step, 1.21735 hours remaining, 234.195312 MB of memory in use. ENERGY: 3615800 3985.9703 20637.0766 14405.2342 247.3662 -203080.3129 2515.0508 0.0000 0.0000 51842.4395 -109447.1753 297.9392 -161289.6148 -109097.8840 298.6203 -166.6876 -138.4478 763255.8855 0.4655 0.3116 PRESSURE: 3616000 4.11012 124.582 29.8447 124.582 -170.029 18.5995 29.8443 18.5987 -22.9093 GPRESSURE: 3616000 0.0843927 122.009 -55.0549 23.7594 -119.974 75.8412 16.8168 18.2011 14.0329 PRESSAVG: 3616000 -12.7641 -43.0076 40.3572 -43.0076 36.6416 17.6772 40.3572 17.6771 9.13235 GPRESSAVG: 3616000 -11.0304 -40.0446 41.5717 -44.0148 34.754 16.2854 39.4406 18.6977 9.96367 TIMING: 3616000 CPU: 11297.4, 0.00315738/step Wall: 11297.4, 0.00315738/step, 1.21384 hours remaining, 234.195312 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: 3616000 3937.2911 20483.6699 14480.0865 268.6119 -202983.1507 2365.7466 0.0000 0.0000 52020.4628 -109427.2818 298.9623 -161447.7446 -109073.0360 298.7114 -62.9426 -35.2854 762439.1649 11.0033 11.2291 PRESSURE: 3616200 220.766 25.7685 50.0462 25.7667 278.869 47.5841 50.0467 47.5844 60.5441 GPRESSURE: 3616200 256.572 25.3615 87.5853 -15.6528 349.294 -8.06744 5.22902 133.946 27.1681 PRESSAVG: 3616200 6.27184 -54.2779 -25.3859 -54.2779 2.54194 -3.04699 -25.3859 -3.04712 13.3936 GPRESSAVG: 3616200 5.42107 -54.783 -25.3096 -56.9423 4.25157 -1.23956 -23.4095 -2.3815 12.4468 TIMING: 3616200 CPU: 11298, 0.00314071/step Wall: 11298, 0.00314071/step, 1.20725 hours remaining, 234.195312 MB of memory in use. ENERGY: 3616200 3982.7635 20435.1147 14452.5758 253.1595 -203376.4136 2692.2696 0.0000 0.0000 52213.1379 -109347.3927 300.0696 -161560.5305 -108983.8335 298.6941 186.7264 211.0113 761244.3603 7.4025 7.3731 LDB: ============= START OF LOAD BALANCING ============== 11310.5 LDB: ============== END OF LOAD BALANCING =============== 11310.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11310.5 LDB: ============= START OF LOAD BALANCING ============== 11310.8 LDB: Largest compute 7070 load 0.029406 is 15.1% of average load 0.195307 LDB: Average compute 0.004364 is 2.2% of average load 0.195307 LDB: TIME 11310.8 LOAD: AVG 0.195307 MAX 0.213982 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.273 MB LDB: TIME 11310.8 LOAD: AVG 0.195307 MAX 0.213982 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.477 MB LDB: TIME 11310.8 LOAD: AVG 0.195307 MAX 0.213982 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.477 MB LDB: ============== END OF LOAD BALANCING =============== 11310.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11310.8 PRESSURE: 3616400 -100.728 -81.8873 78.8763 -81.8876 186.515 61.9261 78.8757 61.9266 -67.8094 GPRESSURE: 3616400 -24.0137 -253.666 189.496 -90.9451 143.562 34.148 -5.54057 -19.6945 -24.2991 PRESSAVG: 3616400 -18.6083 -37.9988 -20.2978 -37.9989 -11.022 31.2437 -20.2979 31.2438 4.03983 GPRESSAVG: 3616400 -17.5353 -38.054 -17.8184 -35.4384 -11.854 30.3516 -23.0556 28.1771 4.30984 TIMING: 3616400 CPU: 11298.7, 0.00320446/step Wall: 11298.7, 0.00320446/step, 1.23158 hours remaining, 234.117188 MB of memory in use. ENERGY: 3616400 3935.0944 20487.5833 14461.6974 238.7488 -203131.1942 2513.3769 0.0000 0.0000 52212.8671 -109281.8264 300.0681 -161494.6935 -108917.5827 298.5555 5.9924 31.7498 762337.9215 -8.5302 -8.3598 PRESSURE: 3616600 -34.4827 -86.6905 -53.312 -86.6898 -3.10262 137.157 -53.3134 137.157 150.408 GPRESSURE: 3616600 120.454 -131.428 -15.7536 -174.286 -32.2206 183.862 -135.39 44.9549 91.6035 PRESSAVG: 3616600 -79.1675 -45.6148 -20.3016 -45.6149 48.0867 36.6887 -20.3016 36.6887 1.76537 GPRESSAVG: 3616600 -79.4809 -48.1122 -21.9778 -45.9679 49.9934 38.5734 -19.5188 37.1381 0.803249 TIMING: 3616600 CPU: 11299.3, 0.00313222/step Wall: 11299.3, 0.00313222/step, 1.20364 hours remaining, 234.320312 MB of memory in use. ENERGY: 3616600 3959.2172 20507.6515 14392.9534 251.0641 -203285.9578 2759.1328 0.0000 0.0000 52048.1859 -109367.7529 299.1216 -161415.9388 -109008.1120 299.0440 37.6075 59.9458 762498.7063 -9.7718 -9.5614 PRESSURE: 3616800 610.708 82.4613 39.4671 82.461 193.956 17.6652 39.4663 17.6641 573.213 GPRESSURE: 3616800 552.164 157.6 -17.6288 41.7284 268.6 58.0389 64.6371 60.2941 630.656 PRESSAVG: 3616800 12.9473 17.6137 -46.0433 17.6137 15.2349 92.5438 -46.0433 92.5439 -0.758829 GPRESSAVG: 3616800 12.9484 21.3122 -46.1628 15.6548 13.3638 91.1017 -44.8787 93.8536 0.882311 TIMING: 3616800 CPU: 11299.9, 0.0031255/step Wall: 11299.9, 0.0031255/step, 1.20089 hours remaining, 234.320312 MB of memory in use. ENERGY: 3616800 3925.1980 20554.5627 14409.2710 254.8942 -203402.0864 2879.6712 0.0000 0.0000 52091.6793 -109286.8099 299.3716 -161378.4893 -108921.7670 299.2530 459.2924 483.8066 761651.3321 9.1411 9.0648 PRESSURE: 3617000 -69.5843 170.03 26.5426 170.03 138.013 -133.907 26.5421 -133.907 103.518 GPRESSURE: 3617000 11.6911 79.026 74.7322 176.519 128.573 -167.364 -92.3603 -216.389 128.614 PRESSAVG: 3617000 45.1935 -33.4778 -81.485 -33.4778 9.02879 8.34978 -81.485 8.34975 -4.44137 GPRESSAVG: 3617000 45.1182 -35.504 -83.2618 -32.0757 9.64324 9.09485 -80.2545 8.21461 -5.39834 TIMING: 3617000 CPU: 11300.5, 0.00311901/step Wall: 11300.5, 0.00311901/step, 1.19822 hours remaining, 234.320312 MB of memory in use. ENERGY: 3617000 3939.2539 20686.6522 14460.7152 241.4522 -203246.0075 2579.1502 0.0000 0.0000 52087.4470 -109251.3368 299.3473 -161338.7837 -108893.7443 299.3497 57.3157 89.6261 762842.9486 16.5937 16.4544 PRESSURE: 3617200 -249.628 121.525 145.514 121.526 26.3211 -97.5326 145.514 -97.5322 25.0275 GPRESSURE: 3617200 -176.844 61.0065 69.972 79.572 59.4073 -96.9216 142.565 23.4226 -0.352395 PRESSAVG: 3617200 -14.0432 -28.5905 15.5098 -28.5905 -44.1846 -10.01 15.5098 -10.0101 -1.89861 GPRESSAVG: 3617200 -13.664 -29.2198 18.6462 -26.9288 -44.3133 -9.68315 14.2332 -11.2559 -1.796 TIMING: 3617200 CPU: 11301.2, 0.00312714/step Wall: 11301.2, 0.00312714/step, 1.20117 hours remaining, 234.320312 MB of memory in use. ENERGY: 3617200 3974.1199 20651.0847 14447.5434 250.6606 -203143.9727 2653.1337 0.0000 0.0000 52152.6381 -109014.7923 299.7219 -161167.4304 -108647.3214 299.4508 -66.0931 -39.2630 762909.5089 -20.0421 -19.9244 PRESSURE: 3617400 15.9957 -63.1745 87.5596 -63.1756 147.831 51.0105 87.5594 51.0107 346.647 GPRESSURE: 3617400 91.5878 6.56119 166.391 45.9389 212.11 -89.2199 188.067 228.356 302.515 PRESSAVG: 3617400 -59.4581 -61.7592 -12.5935 -61.7593 89.9626 13.9331 -12.5935 13.933 -16.8193 GPRESSAVG: 3617400 -58.787 -60.0731 -13.1918 -62.4087 90.2587 13.1369 -12.2907 15.6762 -17.2604 TIMING: 3617400 CPU: 11301.8, 0.00313125/step Wall: 11301.8, 0.00313124/step, 1.20257 hours remaining, 234.320312 MB of memory in use. ENERGY: 3617400 4007.5884 20745.5553 14452.7683 245.9490 -203045.9364 2663.4431 0.0000 0.0000 52066.8999 -108863.7325 299.2292 -160930.6323 -108498.2063 300.1469 170.1577 202.0708 762669.9752 4.5617 4.7371 PRESSURE: 3617600 -97.8033 -211.701 -147.097 -211.7 11.0675 -5.36271 -147.097 -5.36307 93.5739 GPRESSURE: 3617600 -49.2581 -156.938 -59.6017 -187.883 -3.63887 33.3819 -177.865 -125.483 119.327 PRESSAVG: 3617600 -25.5285 -30.9771 5.39501 -30.977 5.41572 -8.7577 5.39507 -8.75764 4.20419 GPRESSAVG: 3617600 -25.2381 -32.7571 6.05127 -31.987 4.83029 -8.55473 5.03497 -8.66474 4.68356 TIMING: 3617600 CPU: 11302.4, 0.00313906/step Wall: 11302.4, 0.00313906/step, 1.2054 hours remaining, 234.320312 MB of memory in use. ENERGY: 3617600 3951.8796 20719.6367 14437.4731 243.2907 -203110.5153 2663.9467 0.0000 0.0000 52181.5518 -108912.7366 299.8881 -161094.2884 -108547.2120 299.8600 2.2794 22.1432 763917.0854 -5.3029 -5.2414 PRESSURE: 3617800 -304.442 16.4218 -189.152 16.421 -83.4405 36.6273 -189.152 36.6281 -13.8183 GPRESSURE: 3617800 -294.173 3.9253 -239.884 -59.9739 -1.91025 18.707 -117.602 -13.75 -18.8914 PRESSAVG: 3617800 -28.8524 -29.5718 -3.12303 -29.5718 25.0656 28.7545 -3.12302 28.7545 -23.9762 GPRESSAVG: 3617800 -30.0554 -31.0129 -3.72829 -28.7813 26.1454 27.7749 -4.07942 27.9123 -23.3848 TIMING: 3617800 CPU: 11303, 0.003131/step Wall: 11303, 0.003131/step, 1.20213 hours remaining, 234.320312 MB of memory in use. ENERGY: 3617800 3981.1937 20361.9965 14467.9658 233.4650 -202807.2308 2457.7324 0.0000 0.0000 52187.5345 -109117.3431 299.9225 -161304.8775 -108749.2891 299.8855 -133.9001 -104.9916 763425.6462 -9.2543 -9.0982 PRESSURE: 3618000 370.458 -48.3997 284.781 -48.4003 -9.42571 90.4863 284.78 90.4863 470.713 GPRESSURE: 3618000 352.123 -109.195 256.135 -128.36 15.3452 110.964 198.939 113.177 551.17 PRESSAVG: 3618000 20.506 -37.1621 -40.8015 -37.1621 49.8491 -7.90833 -40.8016 -7.90842 9.93839 GPRESSAVG: 3618000 20.8376 -35.4695 -41.9208 -38.2608 50.282 -8.65163 -39.8228 -6.62738 9.54111 TIMING: 3618000 CPU: 11303.7, 0.00312377/step Wall: 11303.7, 0.00312377/step, 1.19918 hours remaining, 234.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3618000 4018.4730 20488.4042 14412.5422 242.0301 -202990.7776 2789.5738 0.0000 0.0000 52094.7794 -108944.9750 299.3894 -161039.7543 -108586.1186 299.6437 277.2483 306.2130 763217.9893 26.7645 26.8869 PRESSURE: 3618200 -86.8276 -189.001 94.2324 -189.001 43.5234 -18.1597 94.2326 -18.1598 191.188 GPRESSURE: 3618200 28.4745 54.0552 115.077 -207.644 45.881 -80.3761 72.9826 147.75 161.991 PRESSAVG: 3618200 -18.8265 7.68387 15.8692 7.68385 52.2668 7.8044 15.8692 7.80437 13.5753 GPRESSAVG: 3618200 -18.4768 8.57287 15.3744 7.44676 52.7215 8.38852 16.7973 6.83014 12.6254 TIMING: 3618200 CPU: 11304.3, 0.00311186/step Wall: 11304.3, 0.00311186/step, 1.19443 hours remaining, 234.320312 MB of memory in use. ENERGY: 3618200 3937.9348 20457.5219 14373.5415 251.9059 -202908.4163 2686.2109 0.0000 0.0000 52118.0317 -109083.2696 299.5230 -161201.3013 -108715.7734 299.6855 49.2946 78.7822 762949.9466 15.6719 15.6234 PRESSURE: 3618400 181.519 -332.543 -181.037 -332.543 -79.3048 110.019 -181.036 110.02 120.95 GPRESSURE: 3618400 168.073 -302.963 -105.665 -247.021 -43.956 26.5671 41.5924 44.7601 185.471 PRESSAVG: 3618400 -35.7158 9.98703 52.1038 9.98699 5.33774 129.359 52.1038 129.359 -21.1791 GPRESSAVG: 3618400 -35.9958 9.15164 55.121 10.7508 3.9493 129.643 50.9296 128.279 -19.9077 TIMING: 3618400 CPU: 11304.9, 0.00310865/step Wall: 11304.9, 0.00310865/step, 1.19303 hours remaining, 234.320312 MB of memory in use. ENERGY: 3618400 3951.2184 20457.3769 14482.6240 244.4615 -202448.8685 2593.3162 0.0000 0.0000 51979.7652 -108740.1063 298.7284 -160719.8714 -108386.0732 299.7906 74.3881 103.1960 763882.1228 -17.1857 -17.3181 PRESSURE: 3618600 207.768 -186.403 29.7175 -186.404 193.635 95.5572 29.7175 95.5571 -34.8571 GPRESSURE: 3618600 307.042 -169.386 12.4693 -200.969 178.307 19.6414 100.487 132.923 -40.5154 PRESSAVG: 3618600 2.69375 -27.4513 13.4904 -27.4513 -10.9754 21.5288 13.4904 21.5289 -8.44424 GPRESSAVG: 3618600 2.41117 -27.795 10.7069 -27.7759 -11.0769 21.2122 16.6716 21.8579 -8.01491 TIMING: 3618600 CPU: 11305.5, 0.00311506/step Wall: 11305.5, 0.00311506/step, 1.19532 hours remaining, 234.320312 MB of memory in use. ENERGY: 3618600 3997.3844 20484.4147 14420.3925 268.7341 -202773.8331 2779.9074 0.0000 0.0000 52217.9929 -108605.0072 300.0975 -160823.0001 -108240.7316 300.4100 122.1819 148.2776 763781.0858 -5.5753 -5.5602 PRESSURE: 3618800 -17.7584 113.567 254.896 113.567 368.217 -173.072 254.896 -173.072 374.234 GPRESSURE: 3618800 95.9591 117.823 221.264 157.425 315.128 -153.078 174.507 -276.704 410.288 PRESSAVG: 3618800 1.15043 -4.56046 20.1934 -4.56039 7.62614 25.4737 20.1934 25.4737 -17.2291 GPRESSAVG: 3618800 2.55535 -4.24909 22.4012 -1.66663 7.78217 26.9394 15.9677 24.0945 -18.9561 TIMING: 3618800 CPU: 11306.2, 0.00312992/step Wall: 11306.2, 0.00312992/step, 1.20085 hours remaining, 234.320312 MB of memory in use. ENERGY: 3618800 3909.9524 20548.4859 14438.1437 246.7513 -203041.5646 2871.0591 0.0000 0.0000 52132.4210 -108894.7513 299.6057 -161027.1723 -108530.7178 299.6497 241.5640 273.7917 762835.1933 -2.8175 -2.8728 PRESSURE: 3619000 60.3756 50.2949 11.3543 50.2948 251.412 97.1775 11.3536 97.1775 189.561 GPRESSURE: 3619000 68.6973 130.677 -30.4685 99.3136 282.328 180.726 103.258 71.0695 236.964 PRESSAVG: 3619000 -48.9803 30.9588 -7.88595 30.9589 40.0046 -12.835 -7.88595 -12.8349 -1.63779 GPRESSAVG: 3619000 -50.5433 33.3503 -9.66665 27.4091 39.6178 -13.5996 -5.73728 -11.6432 -0.087494 TIMING: 3619000 CPU: 11306.8, 0.00312976/step Wall: 11306.8, 0.00312976/step, 1.20061 hours remaining, 234.320312 MB of memory in use. ENERGY: 3619000 3929.0308 20472.4228 14437.0184 249.4990 -203103.1912 2653.8015 0.0000 0.0000 52302.1330 -109059.2858 300.5811 -161361.4188 -108693.9014 299.5685 167.1161 195.9962 762592.8596 -3.5379 -3.6710 PRESSURE: 3619200 301.348 -76.3939 -171.89 -76.3942 330.957 47.8676 -171.89 47.8684 92.7339 GPRESSURE: 3619200 271.145 -14.4495 -158.252 -58.6263 457.906 40.1843 -208.841 51.4115 77.2734 PRESSAVG: 3619200 -6.77226 -0.79837 10.0027 -0.798411 6.59119 -37.0021 10.0027 -37.0022 20.2764 GPRESSAVG: 3619200 -6.99252 -3.47329 12.4937 0.651345 7.61387 -36.4422 9.47655 -36.6752 19.1927 TIMING: 3619200 CPU: 11307.4, 0.00311772/step Wall: 11307.4, 0.00311771/step, 1.19582 hours remaining, 234.320312 MB of memory in use. ENERGY: 3619200 3977.7970 20412.3930 14476.4487 237.1308 -203243.0777 2791.3312 0.0000 0.0000 52071.0218 -109276.9552 299.2529 -161347.9770 -108916.8838 299.4999 241.6795 268.7746 763165.7661 6.6985 6.6047 PRESSURE: 3619400 261.095 -24.7897 169.262 -24.7889 171.645 6.91236 169.261 6.91082 322.55 GPRESSURE: 3619400 309.422 -21.0822 145.717 -75.879 145.032 -11.862 49.3222 -38.7561 381.9 PRESSAVG: 3619400 24.2746 7.1169 43.2988 7.11692 -9.62696 -2.67504 43.2988 -2.67497 1.34965 GPRESSAVG: 3619400 24.2175 7.79921 40.3953 6.54687 -10.573 -5.22683 43.1428 -1.46566 2.37928 TIMING: 3619400 CPU: 11308, 0.00311909/step Wall: 11308, 0.00311909/step, 1.19617 hours remaining, 234.320312 MB of memory in use. ENERGY: 3619400 3944.4293 20482.8299 14511.8989 237.9483 -203224.4348 2938.8115 0.0000 0.0000 52087.9556 -109020.5614 299.3502 -161108.5170 -108647.8893 298.8094 251.7634 278.7844 762285.5587 5.3324 5.3413 PRESSURE: 3619600 316.567 58.8531 -51.3191 58.8539 18.9571 152.396 -51.3196 152.395 -53.6922 GPRESSURE: 3619600 363.863 130.319 12.0081 -61.2772 38.5227 108.995 1.18799 124.982 -29.3851 PRESSAVG: 3619600 51.6829 -51.6585 -6.38058 -51.6584 -63.1507 29.9424 -6.38063 29.9424 -3.09619 GPRESSAVG: 3619600 52.7738 -50.7414 -4.26912 -52.6556 -62.867 32.9072 -7.35641 29.332 -4.24714 TIMING: 3619600 CPU: 11308.6, 0.00309772/step Wall: 11308.6, 0.00309772/step, 1.1878 hours remaining, 234.320312 MB of memory in use. ENERGY: 3619600 3977.7984 20533.0456 14402.8013 248.6166 -203038.5702 2562.9825 0.0000 0.0000 52169.0943 -109144.2316 299.8165 -161313.3259 -108782.4182 299.6947 93.9441 124.3334 762740.1764 -4.8547 -4.7801 PRESSURE: 3619800 -264.224 73.397 142.791 73.3968 9.27637 69.1651 142.791 69.1657 475.11 GPRESSURE: 3619800 -156.346 27.2173 87.0974 -41.4813 15.9566 12.1283 189.932 31.4768 435.388 PRESSAVG: 3619800 -13.1754 17.8665 12.6838 17.8665 -15.1141 3.32196 12.6838 3.32195 -0.481383 GPRESSAVG: 3619800 -14.3684 17.4524 10.7224 20.4508 -15.7389 1.58215 11.6791 1.89671 0.839539 TIMING: 3619800 CPU: 11309.3, 0.00311148/step Wall: 11309.3, 0.00311148/step, 1.19291 hours remaining, 234.320312 MB of memory in use. ENERGY: 3619800 3998.2679 20509.5574 14412.1018 244.6184 -202856.6600 2628.1728 0.0000 0.0000 51823.4992 -109240.4425 297.8304 -161063.9417 -108883.6708 299.1510 73.3873 98.3328 765546.1462 -9.5903 -9.7559 PRESSURE: 3620000 243.344 204.869 -73.2098 204.868 -137.629 -18.6431 -73.2099 -18.6434 -91.1014 GPRESSURE: 3620000 212.088 134.839 -228.213 144.592 -23.5559 91.343 124.806 -43.6454 -103.355 PRESSAVG: 3620000 -20.6477 31.3547 14.0976 31.3546 54.4291 -17.4574 14.0976 -17.4574 13.0851 GPRESSAVG: 3620000 -20.2318 30.7856 14.7981 30.9145 55.1649 -16.3589 16.7505 -17.4001 12.3705 TIMING: 3620000 CPU: 11309.9, 0.00311618/step Wall: 11309.9, 0.00311618/step, 1.19453 hours remaining, 234.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3620000 3972.1598 20630.2824 14475.5246 245.3852 -203164.5195 2608.1903 0.0000 0.0000 51986.8878 -109246.0893 298.7694 -161232.9771 -108887.2383 298.7767 4.8712 28.3924 761941.3466 15.6222 15.7679 PRESSURE: 3620200 -122.872 120.127 175.932 120.127 -156.785 19.8395 175.932 19.841 315.873 GPRESSURE: 3620200 1.71284 100.468 136.325 93.3052 -256.976 106.573 191.108 -16.5788 346.969 PRESSAVG: 3620200 28.9315 41.4914 -13.7298 41.4914 -37.1142 -28.9466 -13.7299 -28.9466 -32.8408 GPRESSAVG: 3620200 28.9471 41.2446 -12.6447 42.2785 -37.1064 -30.0327 -15.3506 -26.6424 -33.3742 TIMING: 3620200 CPU: 11310.5, 0.00312282/step Wall: 11310.5, 0.00312282/step, 1.19691 hours remaining, 234.320312 MB of memory in use. ENERGY: 3620200 3865.7829 20662.9634 14354.3794 244.4808 -202607.3983 2662.9048 0.0000 0.0000 51869.9669 -108946.9201 298.0974 -160816.8870 -108584.4975 299.0998 12.0719 30.5687 765471.8283 -13.6745 -13.8445 LDB: ============= START OF LOAD BALANCING ============== 11323 LDB: ============== END OF LOAD BALANCING =============== 11323 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11323 LDB: ============= START OF LOAD BALANCING ============== 11323.3 LDB: Largest compute 7077 load 0.028907 is 14.8% of average load 0.195280 LDB: Average compute 0.004364 is 2.2% of average load 0.195280 LDB: TIME 11323.3 LOAD: AVG 0.19528 MAX 0.215566 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.578 MB LDB: TIME 11323.3 LOAD: AVG 0.19528 MAX 0.215566 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.617 MB LDB: TIME 11323.3 LOAD: AVG 0.19528 MAX 0.215566 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.617 MB LDB: ============== END OF LOAD BALANCING =============== 11323.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11323.3 PRESSURE: 3620400 307.31 50.1476 -42.8839 50.1476 54.7463 -19.7295 -42.8834 -19.7289 420.772 GPRESSURE: 3620400 327.287 -45.1236 -58.2709 169.88 172.225 23.5336 -127.311 -90.887 359.229 PRESSAVG: 3620400 -1.4976 13.1656 -15.3018 13.1656 -27.358 45.2436 -15.3018 45.2436 -4.64712 GPRESSAVG: 3620400 -0.966247 15.876 -17.6704 11.5954 -27.6819 44.471 -14.4443 45.3409 -4.83737 TIMING: 3620400 CPU: 11311.2, 0.00319446/step Wall: 11311.2, 0.00319446/step, 1.22419 hours remaining, 234.890625 MB of memory in use. ENERGY: 3620400 4002.1246 20469.4785 14362.6594 255.2281 -203272.5050 2965.7782 0.0000 0.0000 52224.2411 -108992.9950 300.1334 -161217.2362 -108645.2485 299.2116 260.9427 286.2469 763829.3859 -11.1676 -11.1618 PRESSURE: 3620600 -405.956 213.555 -103.844 213.556 44.3267 -22.5143 -103.844 -22.5142 -260.385 GPRESSURE: 3620600 -362.35 178.701 -160.937 125.183 55.0713 -62.3039 -92.8047 -130.035 -217.835 PRESSAVG: 3620600 25.1313 7.68624 -29.5549 7.68626 5.06172 -39.4453 -29.5548 -39.4453 9.79201 GPRESSAVG: 3620600 24.3657 5.73749 -29.4646 9.79451 4.15601 -37.329 -30.0938 -41.1546 10.7888 TIMING: 3620600 CPU: 11311.8, 0.00312036/step Wall: 11311.8, 0.00312036/step, 1.19562 hours remaining, 235.089844 MB of memory in use. ENERGY: 3620600 3923.8462 20507.8962 14457.2857 259.0845 -202526.5879 2259.5062 0.0000 0.0000 52091.3729 -109027.5962 299.3698 -161118.9691 -108675.2629 299.3238 -207.3382 -175.0379 762336.7070 13.3283 13.1035 PRESSURE: 3620800 57.1514 174.18 44.242 174.179 25.2197 55.4769 44.2422 55.4774 248.941 GPRESSURE: 3620800 23.3995 89.2239 14.6387 34.6918 68.2187 20.9037 -81.0124 171.774 332.06 PRESSAVG: 3620800 16.6845 31.9475 -77.585 31.9475 -20.8829 -38.3632 -77.585 -38.3631 4.39724 GPRESSAVG: 3620800 16.1516 31.613 -76.9028 30.0946 -19.9089 -40.3611 -77.968 -36.5027 3.89269 TIMING: 3620800 CPU: 11312.4, 0.00311873/step Wall: 11312.4, 0.00311873/step, 1.19482 hours remaining, 235.089844 MB of memory in use. ENERGY: 3620800 3926.8162 20585.6003 14404.7072 249.5597 -202957.9785 2603.9403 0.0000 0.0000 52260.8718 -108926.4830 300.3439 -161187.3548 -108564.2936 299.5162 110.4373 141.2262 763009.2037 0.0663 0.0451 PRESSURE: 3621000 230.156 -97.0582 32.2974 -97.0587 -71.7701 -80.35 32.2977 -80.3494 -198.209 GPRESSURE: 3621000 256.083 -101.431 -89.9685 -158.775 -50.2192 -103.403 -70.3305 -61.1939 -177.104 PRESSAVG: 3621000 -43.1717 6.69792 -21.1362 6.69791 71.0107 -33.1936 -21.1362 -33.1936 -4.45036 GPRESSAVG: 3621000 -42.0322 8.08342 -20.0889 6.02125 70.2966 -33.6961 -20.8622 -32.0306 -4.39849 TIMING: 3621000 CPU: 11313, 0.00312123/step Wall: 11313, 0.00312123/step, 1.1956 hours remaining, 235.089844 MB of memory in use. ENERGY: 3621000 4008.8004 20529.8294 14416.1157 266.2663 -202540.9786 2608.2719 0.0000 0.0000 52011.4285 -108700.2663 298.9104 -160711.6948 -108340.8414 299.8393 -13.2742 9.5865 763816.7807 7.7962 7.9553 PRESSURE: 3621200 -4.66058 -147.325 108.745 -147.325 -72.1535 13.8252 108.746 13.8255 -63.0739 GPRESSURE: 3621200 31.3264 -171.835 85.5798 -143.947 -50.1295 23.7277 224.367 -53.2556 -26.2632 PRESSAVG: 3621200 81.452 -16.8832 5.83584 -16.8832 -63.3797 -44.8098 5.83588 -44.8099 2.08162 GPRESSAVG: 3621200 81.2122 -16.0332 5.06976 -17.1388 -63.1179 -42.8683 5.87971 -47.9148 1.63996 TIMING: 3621200 CPU: 11313.7, 0.0031206/step Wall: 11313.7, 0.0031206/step, 1.19519 hours remaining, 235.089844 MB of memory in use. ENERGY: 3621200 3993.4460 20426.7823 14554.4198 250.4515 -203509.8995 3159.4917 0.0000 0.0000 52414.0161 -108711.2920 301.2241 -161125.3081 -108343.7471 300.4967 -46.6293 -15.0221 761719.4153 6.7180 6.5781 PRESSURE: 3621400 57.9835 134.831 -179.893 134.831 7.91965 -253.551 -179.892 -253.55 127.057 GPRESSURE: 3621400 67.9958 88.7423 -144.717 99.4064 60.7216 -259.315 -99.2981 -179.516 141.422 PRESSAVG: 3621400 54.2209 20.4615 11.0854 20.4614 -50.8276 4.02532 11.0854 4.02532 -10.7119 GPRESSAVG: 3621400 53.4006 18.6965 11.0429 22.0148 -50.4672 4.81443 13.3303 4.37232 -10.8895 TIMING: 3621400 CPU: 11314.3, 0.00312975/step Wall: 11314.3, 0.00312975/step, 1.19852 hours remaining, 235.089844 MB of memory in use. ENERGY: 3621400 3999.2737 20614.4238 14486.1445 251.7596 -203169.4772 2717.0270 0.0000 0.0000 52241.3309 -108859.5177 300.2316 -161100.8486 -108500.4633 300.1719 64.3200 90.0464 762316.2457 -2.4395 -2.6520 PRESSURE: 3621600 -390.725 -304.759 -89.1739 -304.759 -62.448 -31.9745 -89.1738 -31.9751 93.5828 GPRESSURE: 3621600 -352.626 -380.355 -81.4396 -251.867 -85.6864 -66.7881 -138.437 -15.5004 148.982 PRESSAVG: 3621600 -7.78054 6.06505 -86.4606 6.06502 24.1753 17.3885 -86.4605 17.3885 19.7077 GPRESSAVG: 3621600 -7.34566 4.91908 -87.0114 5.93347 23.3569 17.0117 -86.1758 16.2231 19.6398 TIMING: 3621600 CPU: 11314.9, 0.00310229/step Wall: 11314.9, 0.00310229/step, 1.18783 hours remaining, 235.089844 MB of memory in use. ENERGY: 3621600 4055.7836 20446.4205 14474.2022 242.5853 -202991.9634 2780.2158 0.0000 0.0000 52254.2998 -108738.4563 300.3062 -160992.7561 -108377.7071 300.0359 -119.8634 -96.4435 764364.8905 12.0342 11.8837 PRESSURE: 3621800 267.713 194.198 282.676 194.198 162.42 -27.7041 282.676 -27.7045 188.527 GPRESSURE: 3621800 275.568 298.634 292.811 266.816 191.194 -14.1519 291.956 -62.3062 248.163 PRESSAVG: 3621800 -4.91764 -10.4389 6.26754 -10.4389 -1.79838 -26.8796 6.26754 -26.8797 -5.34109 GPRESSAVG: 3621800 -5.06211 -9.35628 8.79256 -10.3302 -2.25722 -27.6081 3.67349 -26.0299 -4.7421 TIMING: 3621800 CPU: 11315.5, 0.00311419/step Wall: 11315.5, 0.00311419/step, 1.19222 hours remaining, 235.089844 MB of memory in use. ENERGY: 3621800 3934.9037 20589.5517 14534.4899 246.7515 -202953.4489 2833.5175 0.0000 0.0000 52204.7246 -108609.5100 300.0213 -160814.2347 -108252.7848 300.4174 206.2199 238.3083 761150.9839 -4.0190 -4.0205 PRESSURE: 3622000 -120.11 272.03 -210.927 272.03 -141.351 22.5148 -210.926 22.5132 -289.746 GPRESSURE: 3622000 -97.5012 209.77 -185.325 173.711 -138.632 3.70523 -88.0738 7.3492 -234.673 PRESSAVG: 3622000 63.9035 46.0172 -63.2099 46.0173 -43.0831 25.4998 -63.2099 25.4999 -34.5965 GPRESSAVG: 3622000 63.3692 46.3363 -64.5602 46.1923 -41.7681 24.5926 -62.1629 26.0216 -35.1949 TIMING: 3622000 CPU: 11316.1, 0.00310015/step Wall: 11316.1, 0.00310015/step, 1.18667 hours remaining, 235.089844 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: 3622000 4029.5218 20507.3540 14443.3621 239.4205 -202626.0089 2431.0604 0.0000 0.0000 52301.7611 -108673.5290 300.5789 -160975.2901 -108303.7113 300.2288 -183.7358 -156.9354 761584.6647 -4.5920 -4.5313 PRESSURE: 3622200 43.3202 74.762 -3.7884 74.7618 247.87 -200.335 -3.78761 -200.336 222.093 GPRESSURE: 3622200 121.167 -5.36766 -21.3609 55.3659 244.381 -156.527 -31.5407 -212.748 224.818 PRESSAVG: 3622200 -51.1372 24.9729 -45.223 24.9729 64.3688 -51.4274 -45.223 -51.4274 19.5605 GPRESSAVG: 3622200 -50.4488 24.1141 -45.7712 24.861 63.1532 -50.3036 -45.4168 -50.9205 20.0583 TIMING: 3622200 CPU: 11316.8, 0.00310439/step Wall: 11316.8, 0.00310439/step, 1.18812 hours remaining, 235.089844 MB of memory in use. ENERGY: 3622200 3942.1140 20589.5296 14449.9406 248.5783 -202764.9692 2502.5482 0.0000 0.0000 52364.3819 -108667.8766 300.9388 -161032.2585 -108303.9460 300.4307 171.0944 196.7888 761093.8384 10.9307 10.9209 PRESSURE: 3622400 -11.1617 249.425 -131.813 249.426 -148.964 -183.434 -131.813 -183.433 272.061 GPRESSURE: 3622400 111.479 208.255 -179.385 232.447 -116.624 -111.192 -49.5311 -153.367 200.62 PRESSAVG: 3622400 28.2777 62.5985 -11.5329 62.5985 -72.4511 -13.4464 -11.533 -13.4464 15.1157 GPRESSAVG: 3622400 28.377 62.8296 -10.6377 62.3336 -70.5029 -14.6494 -12.2158 -13.2457 13.7087 TIMING: 3622400 CPU: 11317.4, 0.00310059/step Wall: 11317.4, 0.00310059/step, 1.18649 hours remaining, 235.089844 MB of memory in use. ENERGY: 3622400 4019.1800 20501.3373 14450.0958 257.4488 -202708.6612 2424.6531 0.0000 0.0000 52364.3922 -108691.5540 300.9389 -161055.9461 -108329.2448 300.5073 37.3115 65.1584 762568.3596 -9.6859 -9.4724 PRESSURE: 3622600 -130.109 -193.055 -11.1577 -193.055 -390.404 97.0218 -11.1577 97.0215 11.8914 GPRESSURE: 3622600 -60.7824 -150.705 19.1204 -203.438 -443.7 121.327 -19.5872 109.508 82.7856 PRESSAVG: 3622600 38.9076 -28.8589 -11.9071 -28.859 -35.0795 -0.804043 -11.907 -0.804047 -3.66905 GPRESSAVG: 3622600 38.6382 -29.9578 -13.2267 -27.593 -35.6967 -0.629705 -9.08278 1.51989 -2.24157 TIMING: 3622600 CPU: 11318, 0.00309578/step Wall: 11318, 0.00309578/step, 1.18448 hours remaining, 235.089844 MB of memory in use. ENERGY: 3622600 3959.0926 20440.6039 14436.1404 240.7391 -202443.1865 2268.3159 0.0000 0.0000 52391.8676 -108706.4271 301.0968 -161098.2946 -108334.5188 300.6577 -169.5404 -140.5656 763666.8583 0.0530 0.2333 PRESSURE: 3622800 -305.954 30.4696 105.461 30.4699 -214.059 163.698 105.46 163.7 -329.89 GPRESSURE: 3622800 -262.4 49.4712 98.5638 -13.7397 -188.666 159.724 33.3658 98.1433 -306.672 PRESSAVG: 3622800 24.0894 -18.169 14.5626 -18.169 -5.43957 -33.07 14.5626 -33.07 33.6583 GPRESSAVG: 3622800 24.0318 -15.4478 15.9693 -21.5766 -5.96979 -32.9401 12.0774 -38.0483 34.6266 TIMING: 3622800 CPU: 11318.6, 0.00309638/step Wall: 11318.6, 0.00309638/step, 1.18454 hours remaining, 235.089844 MB of memory in use. ENERGY: 3622800 4033.6113 20462.7229 14480.0932 234.2512 -202713.3738 2391.7558 0.0000 0.0000 52301.8883 -108809.0511 300.5797 -161110.9394 -108442.9067 300.1395 -283.3012 -252.5792 763782.5522 17.4360 17.5629 PRESSURE: 3623000 -113.62 -124.555 33.9314 -124.555 -128.537 -69.1612 33.9317 -69.161 -274.663 GPRESSURE: 3623000 -90.0394 -133.513 21.8628 -137.435 -93.5814 -96.322 -75.1012 -27.087 -240.166 PRESSAVG: 3623000 28.7329 -5.26181 -6.08371 -5.26174 45.575 9.2658 -6.08367 9.26585 24.598 GPRESSAVG: 3623000 28.8753 -6.58746 -7.52312 -5.9724 46.2061 10.5443 -3.68354 12.9833 24.1182 TIMING: 3623000 CPU: 11319.2, 0.00310299/step Wall: 11319.2, 0.00310299/step, 1.18689 hours remaining, 235.089844 MB of memory in use. ENERGY: 3623000 3906.9855 20643.3253 14489.1242 243.2184 -202652.9236 2451.3383 0.0000 0.0000 52131.7348 -108787.1971 299.6018 -160918.9319 -108435.5178 300.5707 -172.2732 -141.2623 762818.6458 32.9686 33.0665 PRESSURE: 3623200 -285.993 -7.28198 -124.782 -7.28232 -226.86 19.5295 -124.782 19.5295 12.0551 GPRESSURE: 3623200 -318.608 49.6947 -98.3008 10.3725 -121.812 54.6588 -94.8412 -79.8472 9.58443 PRESSAVG: 3623200 -42.1527 -9.37718 -11.0053 -9.37719 15.2477 -31.1233 -11.0053 -31.1232 -5.41655 GPRESSAVG: 3623200 -43.4466 -8.51438 -9.79785 -6.64799 16.8964 -31.0339 -12.3224 -34.3644 -5.59525 TIMING: 3623200 CPU: 11319.9, 0.00310751/step Wall: 11319.9, 0.00310751/step, 1.18845 hours remaining, 235.089844 MB of memory in use. ENERGY: 3623200 3961.1734 20522.7718 14443.2585 246.7947 -202868.9311 2456.7762 0.0000 0.0000 52178.3051 -109059.8515 299.8694 -161238.1565 -108707.2689 300.1751 -166.9325 -143.6117 763174.6560 -10.7738 -10.7151 PRESSURE: 3623400 89.2368 -127.452 -149.441 -127.452 118.249 39.9817 -149.442 39.9803 -407.565 GPRESSURE: 3623400 101.685 -140.132 -191.917 -106.199 167.401 78.3328 -166.651 -126.795 -412.524 PRESSAVG: 3623400 27.219 -17.3233 25.865 -17.3233 -40.3401 -20.0311 25.865 -20.0311 1.75826 GPRESSAVG: 3623400 27.3452 -14.9316 25.074 -20.7713 -40.686 -22.4847 25.9102 -19.472 1.76358 TIMING: 3623400 CPU: 11320.5, 0.00310575/step Wall: 11320.5, 0.00310575/step, 1.1876 hours remaining, 235.089844 MB of memory in use. ENERGY: 3623400 3983.0405 20516.0871 14409.4684 234.1854 -202886.4961 2631.3166 0.0000 0.0000 52142.4404 -108969.9575 299.6633 -161112.3979 -108600.2194 299.5261 -66.6931 -47.8126 762155.0755 -3.7876 -3.8591 PRESSURE: 3623600 -234.325 29.946 -72.068 29.9453 -340.966 84.5979 -72.0682 84.5972 -745.382 GPRESSURE: 3623600 -261.949 17.5676 15.2428 68.3861 -300.023 108.908 -3.28917 129.053 -676.261 PRESSAVG: 3623600 32.4071 -52.8324 2.80465 -52.8323 -5.94566 -47.7381 2.80464 -47.7382 -2.67756 GPRESSAVG: 3623600 32.6437 -55.5834 4.34294 -49.5892 -5.98677 -46.4878 2.61681 -48.364 -3.56945 TIMING: 3623600 CPU: 11321.1, 0.00313523/step Wall: 11321.1, 0.00313523/step, 1.1987 hours remaining, 235.089844 MB of memory in use. ENERGY: 3623600 4049.5698 20510.3975 14522.2712 245.1070 -202690.1366 2117.7710 0.0000 0.0000 52430.9700 -108814.0501 301.3215 -161245.0201 -108453.5330 300.0343 -440.2246 -412.7443 762272.9480 7.9279 7.6958 PRESSURE: 3623800 -232.901 -73.7624 -95.1383 -73.7624 -448.603 -155.936 -95.1377 -155.936 -230.27 GPRESSURE: 3623800 -276.385 -195.916 -156.021 -86.6149 -366.663 -133.253 21.5662 -246.457 -172.051 PRESSAVG: 3623800 33.5787 -5.47782 6.90988 -5.47784 -31.3431 -50.0449 6.90993 -50.0449 6.11679 GPRESSAVG: 3623800 32.3589 -6.81502 6.59385 -3.41551 -30.0998 -49.9685 7.02734 -48.0794 5.96363 TIMING: 3623800 CPU: 11321.7, 0.00312413/step Wall: 11321.7, 0.00312413/step, 1.19429 hours remaining, 235.089844 MB of memory in use. ENERGY: 3623800 4003.0167 20510.2111 14515.9516 241.9434 -202696.8019 2573.4433 0.0000 0.0000 52002.8111 -108849.4246 298.8609 -160852.2357 -108498.7012 300.1993 -303.9246 -271.6999 763002.3495 2.7841 2.7409 PRESSURE: 3624000 -121.859 142.275 34.5872 142.274 -171.339 -15.1696 34.5882 -15.1693 -223.138 GPRESSURE: 3624000 -74.0298 158.957 65.6898 49.7842 -146.936 -32.4772 72.4688 113.781 -197.09 PRESSAVG: 3624000 35.115 21.4422 -72.6425 21.4422 -18.682 28.9724 -72.6425 28.9723 -2.70736 GPRESSAVG: 3624000 37.017 22.8798 -73.3193 19.4295 -20.1598 28.1421 -73.1012 27.7793 -3.31331 TIMING: 3624000 CPU: 11322.4, 0.00312057/step Wall: 11322.4, 0.00312057/step, 1.19275 hours remaining, 235.089844 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: 3624000 4011.4754 20447.1966 14463.6765 237.4197 -202615.3491 2407.2306 0.0000 0.0000 52249.3605 -108798.9898 300.2778 -161048.3503 -108439.3411 300.2607 -172.1118 -139.3522 762129.6966 4.5752 4.5146 PRESSURE: 3624200 179.741 -157.8 70.5921 -157.801 -174.808 -14.043 70.5922 -14.0435 52.3564 GPRESSURE: 3624200 129.433 -129.848 87.137 -302.763 -57.9932 -66.2486 119.221 21.205 51.8749 PRESSAVG: 3624200 62.6682 70.3036 10.6149 70.3036 -46.7247 -33.4094 10.6149 -33.4093 -19.8435 GPRESSAVG: 3624200 61.268 70.7816 10.4023 68.7829 -47.4803 -33.4663 13.7635 -31.7438 -17.8688 TIMING: 3624200 CPU: 11323, 0.0031448/step Wall: 11323, 0.0031448/step, 1.20184 hours remaining, 235.089844 MB of memory in use. ENERGY: 3624200 3901.5622 20597.2954 14461.9567 247.5189 -203145.8686 2694.3589 0.0000 0.0000 52256.9863 -108986.1901 300.3216 -161243.1764 -108629.4212 300.3604 19.0967 41.1049 761200.5194 -1.3000 -1.3604 LDB: ============= START OF LOAD BALANCING ============== 11335.5 LDB: ============== END OF LOAD BALANCING =============== 11335.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11335.5 LDB: ============= START OF LOAD BALANCING ============== 11335.8 LDB: Largest compute 7077 load 0.030355 is 15.5% of average load 0.195256 LDB: Average compute 0.004376 is 2.2% of average load 0.195256 LDB: TIME 11335.8 LOAD: AVG 0.195256 MAX 0.211744 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.473 MB LDB: TIME 11335.8 LOAD: AVG 0.195256 MAX 0.211744 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.473 MB LDB: TIME 11335.8 LOAD: AVG 0.195256 MAX 0.211744 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.473 MB LDB: ============== END OF LOAD BALANCING =============== 11335.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11335.8 PRESSURE: 3624400 -264.37 7.65791 217.24 7.65759 -207.529 -204.769 217.24 -204.769 -471.933 GPRESSURE: 3624400 -281.048 45.9317 214.494 6.57155 -175.828 -234.53 138.194 -140.508 -423.329 PRESSAVG: 3624400 -8.03645 -46.5304 -2.72126 -46.5303 -34.3937 52.2716 -2.72127 52.2716 -3.43294 GPRESSAVG: 3624400 -7.03235 -48.0035 -1.79526 -45.8596 -34.5264 51.0164 -7.7495 51.0982 -4.39419 TIMING: 3624400 CPU: 11323.6, 0.00318782/step Wall: 11323.6, 0.00318781/step, 1.2181 hours remaining, 234.445312 MB of memory in use. ENERGY: 3624400 4033.2769 20550.5679 14544.1169 257.0676 -202825.2323 2270.7620 0.0000 0.0000 52004.2022 -109165.2388 298.8689 -161169.4410 -108806.5698 299.6112 -314.6106 -293.4018 761206.5629 -15.2877 -15.3177 PRESSURE: 3624600 416.064 -73.0319 19.3797 -73.0316 308.081 39.067 19.3786 39.0666 -209.03 GPRESSURE: 3624600 382.217 -4.5623 15.5356 -59.5869 347.817 63.0686 31.2121 25.3211 -140.196 PRESSAVG: 3624600 33.1274 -22.8019 33.2927 -22.8019 -16.8933 -28.2361 33.2927 -28.2362 -17.4296 GPRESSAVG: 3624600 32.6735 -21.8644 32.5635 -21.7727 -15.9016 -27.8594 37.4769 -26.4828 -17.6843 TIMING: 3624600 CPU: 11324.3, 0.00312799/step Wall: 11324.3, 0.00312799/step, 1.19507 hours remaining, 234.648438 MB of memory in use. ENERGY: 3624600 3976.8552 20418.9555 14623.1815 251.9333 -203136.6323 2743.6912 0.0000 0.0000 51971.9581 -109150.0575 298.6836 -161122.0156 -108794.5297 299.3765 171.7052 196.6128 760229.2982 -0.3985 -0.3041 PRESSURE: 3624800 145.204 90.5309 -19.0725 90.5297 410.409 110.662 -19.073 110.662 350.676 GPRESSURE: 3624800 167.501 96.9389 39.6406 159.838 421.52 58.9671 -72.223 72.2175 403.489 PRESSAVG: 3624800 -1.12424 -28.865 31.1401 -28.865 26.2841 -29.7622 31.1401 -29.7622 -2.38886 GPRESSAVG: 3624800 -0.766519 -30.8148 30.0383 -29.0772 26.3117 -29.4711 27.7744 -31.1959 -2.54571 TIMING: 3624800 CPU: 11324.9, 0.00313336/step Wall: 11324.9, 0.00313336/step, 1.19694 hours remaining, 234.648438 MB of memory in use. ENERGY: 3624800 3940.5942 20338.7620 14490.6812 237.9598 -202922.2993 2542.9043 0.0000 0.0000 52125.5622 -109245.8356 299.5663 -161371.3978 -108883.0791 299.1159 302.0963 330.8368 760770.1555 7.5903 7.6665 PRESSURE: 3625000 -141.257 42.1894 40.7531 42.1899 177.993 -382.732 40.7535 -382.732 -556.038 GPRESSURE: 3625000 -132.704 84.6605 132.481 51.2968 177.371 -320.529 -16.1262 -376.349 -497.162 PRESSAVG: 3625000 54.6387 33.6083 20.8291 33.6082 -21.5762 -112.608 20.8291 -112.608 -41.3894 GPRESSAVG: 3625000 55.5941 36.0925 20.7293 32.0786 -23.3198 -113.033 22.0623 -113.032 -40.5932 TIMING: 3625000 CPU: 11325.5, 0.00314476/step Wall: 11325.5, 0.00314476/step, 1.20112 hours remaining, 234.648438 MB of memory in use. ENERGY: 3625000 4055.6114 20474.9478 14471.0018 253.8077 -203239.4325 2604.9855 0.0000 0.0000 52093.7098 -109285.3686 299.3833 -161379.0784 -108919.6481 299.0006 -173.1008 -150.8316 762244.5945 -2.7756 -2.7730 PRESSURE: 3625200 -416.808 151.033 -342.021 151.033 -93.4998 70.8292 -342.021 70.8294 88.6573 GPRESSURE: 3625200 -392.574 83.4028 -357.74 220.208 -4.8568 74.8819 -392.72 43.6887 55.1016 PRESSAVG: 3625200 -21.5695 5.15483 18.6398 5.15473 1.90981 -27.8875 18.6398 -27.8875 5.77164 GPRESSAVG: 3625200 -22.3623 4.25832 18.1313 6.77218 3.48967 -28.9998 17.6473 -25.1997 4.40947 TIMING: 3625200 CPU: 11326.1, 0.00313893/step Wall: 11326.1, 0.00313893/step, 1.19872 hours remaining, 234.648438 MB of memory in use. ENERGY: 3625200 3919.1492 20490.9600 14423.3548 243.4255 -202940.0181 2383.4829 0.0000 0.0000 52129.7077 -109349.9380 299.5901 -161479.6457 -108986.9603 299.2841 -140.5502 -114.1097 762418.1758 -4.6294 -4.8211 PRESSURE: 3625400 -106.668 -23.048 111.057 -23.0482 -73.9859 -60.7889 111.056 -60.7902 -163.857 GPRESSURE: 3625400 -90.6651 -92.3733 172.062 2.30629 25.1277 -44.1089 156.704 93.3907 -198.455 PRESSAVG: 3625400 -8.91226 32.513 55.5465 32.5131 -19.3517 -8.71854 55.5464 -8.71855 5.08437 GPRESSAVG: 3625400 -7.82095 31.7481 55.8899 32.7205 -20.5924 -7.51188 56.1715 -10.5621 4.972 TIMING: 3625400 CPU: 11326.8, 0.00313812/step Wall: 11326.8, 0.00313812/step, 1.19824 hours remaining, 234.648438 MB of memory in use. ENERGY: 3625400 3935.0285 20563.6722 14381.7716 226.9098 -202810.2535 2487.5456 0.0000 0.0000 51987.1336 -109228.1921 298.7708 -161215.3257 -108870.5891 298.8847 -114.8369 -87.9973 762709.1761 -7.7265 -7.8138 PRESSURE: 3625600 -115.707 52.0622 -173.477 52.0632 -58.1301 -147.161 -173.476 -147.163 95.1411 GPRESSURE: 3625600 -191.469 115.267 -159.115 20.4581 8.69678 -129.922 -152.757 -216.423 199.11 PRESSAVG: 3625600 6.1804 -23.3649 15.8041 -23.3648 8.88083 14.2786 15.8041 14.2786 -20.6115 GPRESSAVG: 3625600 5.70313 -24.7142 16.5295 -23.0305 9.52926 12.7808 17.5362 12.8274 -20.2289 TIMING: 3625600 CPU: 11327.4, 0.00311513/step Wall: 11327.4, 0.00311513/step, 1.18929 hours remaining, 234.648438 MB of memory in use. ENERGY: 3625600 4030.2081 20491.4666 14413.0415 250.1180 -203224.7252 2799.3457 0.0000 0.0000 51932.1471 -109308.3982 298.4548 -161240.5453 -108947.6894 298.7456 -26.2320 5.4459 761768.3661 -1.8501 -1.6655 PRESSURE: 3625800 156.54 39.6861 -149.943 39.6867 54.2586 294.819 -149.944 294.818 157.796 GPRESSURE: 3625800 251.816 111.507 -204.816 -39.7508 63.2267 319.513 -87.3706 200.777 136.108 PRESSAVG: 3625800 19.3152 -5.82659 10.2496 -5.82659 -20.6399 -29.1887 10.2496 -29.1886 0.37809 GPRESSAVG: 3625800 18.8168 -3.2492 10.2066 -7.25709 -20.228 -26.6487 7.96736 -29.8476 0.0915824 TIMING: 3625800 CPU: 11328, 0.00311524/step Wall: 11328, 0.00311524/step, 1.18915 hours remaining, 234.648438 MB of memory in use. ENERGY: 3625800 3985.5668 20566.4554 14522.8669 239.1037 -203527.5836 2749.3338 0.0000 0.0000 52262.5177 -109201.7394 300.3534 -161464.2571 -108835.8227 299.1079 122.8651 150.3836 762636.8979 -0.3155 -0.4399 PRESSURE: 3626000 1.98985 94.828 -26.2472 94.8284 79.0925 196.687 -26.248 196.687 -119.522 GPRESSURE: 3626000 26.677 51.6392 4.68927 37.3277 106.55 164.296 -37.1226 171.255 -81.6576 PRESSAVG: 3626000 -34.1348 -6.67069 35.6491 -6.67072 -2.57498 14.1698 35.6491 14.1699 -35.3269 GPRESSAVG: 3626000 -33.9411 -8.32348 34.8224 -5.49399 -3.73711 15.1045 36.9503 14.336 -34.8415 TIMING: 3626000 CPU: 11328.6, 0.00309697/step Wall: 11328.6, 0.00309697/step, 1.18201 hours remaining, 234.648438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3626000 3967.7168 20456.5945 14479.1965 252.2316 -203308.9300 2613.4047 0.0000 0.0000 52359.5010 -109180.2849 300.9108 -161539.7858 -108815.3064 299.3238 -12.8133 17.1896 762295.5886 -24.0122 -24.1732 PRESSURE: 3626200 -137.222 -102.456 39.6091 -102.455 155.666 -148.214 39.609 -148.213 -71.7859 GPRESSURE: 3626200 -97.6558 -118.621 29.5843 -269.51 238.956 -140.002 119.057 -210.386 -106.91 PRESSAVG: 3626200 21.3956 -77.5726 -38.3625 -77.5727 -44.0859 -6.74833 -38.3625 -6.74836 -23.9015 GPRESSAVG: 3626200 21.0632 -74.9205 -38.1359 -79.6231 -42.4871 -8.99188 -37.2637 -4.70224 -24.5628 TIMING: 3626200 CPU: 11329.2, 0.0031062/step Wall: 11329.2, 0.0031062/step, 1.18536 hours remaining, 234.648438 MB of memory in use. ENERGY: 3626200 3989.0275 20454.5955 14421.9251 250.5948 -203188.8390 2716.9105 0.0000 0.0000 52122.8045 -109232.9811 299.5505 -161355.7856 -108867.7712 299.2684 -17.7807 11.4632 762731.6133 -15.5306 -15.3289 PRESSURE: 3626400 312.679 133.52 -89.7963 133.521 -104.739 142.493 -89.7959 142.492 -146.961 GPRESSURE: 3626400 338.749 23.7981 -87.6486 149.87 -81.2452 73.7609 -4.00883 46.3349 -121.704 PRESSAVG: 3626400 1.88694 -33.2221 -48.0463 -33.2221 9.04853 -50.9715 -48.0463 -50.9715 -5.75822 GPRESSAVG: 3626400 1.33141 -35.9294 -47.4326 -33.0241 7.88713 -50.2124 -50.3472 -52.413 -4.62 TIMING: 3626400 CPU: 11329.9, 0.00310434/step Wall: 11329.9, 0.00310434/step, 1.18448 hours remaining, 234.648438 MB of memory in use. ENERGY: 3626400 4051.0725 20438.7739 14455.6599 244.2388 -203276.2970 2728.9903 0.0000 0.0000 52150.4443 -109207.1173 299.7093 -161357.5616 -108852.7755 299.5146 20.3263 45.2666 760561.5976 1.7257 1.5328 PRESSURE: 3626600 -172.742 -112.186 -2.78403 -112.186 -191.172 -191.592 -2.78425 -191.592 -270.879 GPRESSURE: 3626600 -50.3035 -98.3209 73.7109 -142.545 -210.273 -165.473 -24.2734 -169.429 -282.779 PRESSAVG: 3626600 -4.8924 -19.1819 -13.69 -19.1819 -17.0409 -25.6665 -13.6901 -25.6664 -3.15395 GPRESSAVG: 3626600 -4.00484 -19.3199 -14.7995 -18.1762 -17.4054 -27.0748 -11.1263 -24.9183 -4.21443 TIMING: 3626600 CPU: 11330.5, 0.00310706/step Wall: 11330.5, 0.00310706/step, 1.18534 hours remaining, 234.648438 MB of memory in use. ENERGY: 3626600 3959.0673 20630.2970 14413.9362 253.5242 -203295.8909 2672.4005 0.0000 0.0000 52205.9408 -109160.7249 300.0283 -161366.6657 -108794.8492 299.8418 -211.5978 -181.1186 762129.0666 -8.3624 -8.5416 PRESSURE: 3626800 -145.003 138.516 110.215 138.516 40.8055 6.61696 110.215 6.61619 -238.933 GPRESSURE: 3626800 -114.042 109.107 238.139 170.211 23.5922 6.02929 23.4539 -80.8967 -180.853 PRESSAVG: 3626800 68.2954 -19.8175 -0.422906 -19.8175 -39.9715 0.79418 -0.422867 0.794126 -0.863297 GPRESSAVG: 3626800 66.4485 -19.2119 1.28055 -21.4814 -40.0303 2.64567 -2.70815 1.32917 0.678924 TIMING: 3626800 CPU: 11331.1, 0.00311411/step Wall: 11331.1, 0.00311411/step, 1.18786 hours remaining, 234.648438 MB of memory in use. ENERGY: 3626800 4001.6248 20598.5434 14456.5189 228.2319 -202920.7067 2327.0687 0.0000 0.0000 52167.8269 -109140.8922 299.8092 -161308.7190 -108770.6226 299.8399 -114.3771 -90.4345 762921.5916 9.1535 9.0324 PRESSURE: 3627000 -91.5294 154.98 44.1836 154.98 -75.4883 -19.4691 44.1826 -19.469 -249.518 GPRESSURE: 3627000 -109.787 169.741 21.0121 141.142 19.8114 67.7126 -6.09213 -94.6982 -227.342 PRESSAVG: 3627000 7.92488 -1.47941 17.1244 -1.47941 -19.375 -3.23368 17.1244 -3.23363 -14.2795 GPRESSAVG: 3627000 7.98666 -2.55981 14.2152 -0.049397 -17.7875 -3.4522 17.8184 -6.54661 -15.5815 TIMING: 3627000 CPU: 11331.7, 0.00311362/step Wall: 11331.7, 0.00311362/step, 1.1875 hours remaining, 234.648438 MB of memory in use. ENERGY: 3627000 4023.3954 20471.5395 14446.8715 241.0481 -203051.1213 2577.5738 0.0000 0.0000 52226.2442 -109064.4487 300.1449 -161290.6929 -108702.3515 299.3892 -138.8452 -105.7725 762342.5162 -8.5766 -8.4608 PRESSURE: 3627200 312.286 75.7094 177.782 75.71 76.2567 -178.781 177.783 -178.781 39.1537 GPRESSURE: 3627200 410.78 -0.928922 229.311 -103.863 -4.64158 -211.087 198.89 -87.3967 103.712 PRESSAVG: 3627200 0.0913944 -21.0786 8.73374 -21.0786 -10.0435 34.3583 8.7337 34.3584 -3.54445 GPRESSAVG: 3627200 1.62976 -21.1465 10.0907 -21.8731 -11.2231 33.3744 7.99643 36.2551 -4.06812 TIMING: 3627200 CPU: 11332.4, 0.00311917/step Wall: 11332.4, 0.00311917/step, 1.18944 hours remaining, 234.648438 MB of memory in use. ENERGY: 3627200 4028.0367 20631.9538 14539.7838 263.2613 -203352.8644 2725.1405 0.0000 0.0000 52052.5302 -109112.1581 299.1466 -161164.6884 -108758.2400 299.5204 142.5655 169.9501 760396.2741 -4.4989 -4.5538 PRESSURE: 3627400 -270.967 -207.182 105.412 -207.182 -171.561 -77.538 105.413 -77.5387 57.2309 GPRESSURE: 3627400 -127.778 -129.721 -22.0908 -208.218 -195.639 -81.6093 154.248 13.8176 -2.64637 PRESSAVG: 3627400 32.9422 32.0738 -23.0606 32.0738 21.3994 -6.36744 -23.0606 -6.36744 1.92267 GPRESSAVG: 3627400 32.7606 32.9499 -23.7275 33.7314 21.4819 -6.44349 -24.3161 -5.99895 1.41106 TIMING: 3627400 CPU: 11333, 0.00311575/step Wall: 11333, 0.00311575/step, 1.18797 hours remaining, 234.648438 MB of memory in use. ENERGY: 3627400 4056.3342 20464.0396 14413.9896 252.3251 -203238.9867 2520.8997 0.0000 0.0000 52175.7560 -109355.6424 299.8548 -161531.3984 -108995.8773 299.8632 -128.4324 -108.6876 760649.6154 18.7548 18.5512 PRESSURE: 3627600 -158.259 -118.485 169.919 -118.486 -494.535 -139.732 169.919 -139.733 -3.51525 GPRESSURE: 3627600 -151.129 -137.681 250.096 -34.2353 -435.17 -224.656 24.9813 -150.792 13.7737 PRESSAVG: 3627600 7.67129 -19.1703 47.8111 -19.1703 6.65973 14.8681 47.8111 14.8682 5.49463 GPRESSAVG: 3627600 8.52595 -19.8981 50.0737 -20.8324 5.27407 15.4145 45.6575 15.0291 5.98952 TIMING: 3627600 CPU: 11333.6, 0.00311835/step Wall: 11333.6, 0.00311835/step, 1.18878 hours remaining, 234.648438 MB of memory in use. ENERGY: 3627600 3974.6024 20723.3199 14468.9243 261.6976 -203607.4119 2570.0782 0.0000 0.0000 52113.5041 -109495.2854 299.4970 -161608.7896 -109127.9923 299.1127 -218.7697 -190.8418 761529.8457 6.6085 6.5965 PRESSURE: 3627800 -176.493 -79.9277 -120.633 -79.9276 -28.9322 175.787 -120.633 175.787 70.4609 GPRESSURE: 3627800 -154.595 43.4192 -117.965 -27.6971 -30.8039 95.1031 -89.5296 210.279 112.115 PRESSAVG: 3627800 52.8473 -19.8941 -2.9015 -19.8941 3.00148 -38.6913 -2.90146 -38.6913 -2.76932 GPRESSAVG: 3627800 51.9953 -22.2921 -4.17424 -19.2452 4.00277 -37.4903 0.0465959 -41.0447 -3.30683 TIMING: 3627800 CPU: 11334.2, 0.00311206/step Wall: 11334.2, 0.00311206/step, 1.18621 hours remaining, 234.648438 MB of memory in use. ENERGY: 3627800 4051.6617 20545.1146 14495.6948 229.5675 -203557.1031 2659.8077 0.0000 0.0000 51963.4469 -109611.8098 298.6346 -161575.2567 -109242.5275 298.5750 -44.9881 -24.4280 760207.6211 17.6932 17.5637 PRESSURE: 3628000 -282.829 -174.582 113.44 -174.582 -480.681 -31.3168 113.438 -31.3163 2.00871 GPRESSURE: 3628000 -196.998 -252.727 61.5697 -162.364 -524.217 -51.8015 -6.79261 -9.92512 55.2493 PRESSAVG: 3628000 109.026 -24.3441 -21.9452 -24.3441 -81.7782 -11.6847 -21.9453 -11.6847 0.0076894 GPRESSAVG: 3628000 109.741 -21.5535 -22.2332 -23.8382 -81.8932 -13.2807 -22.1998 -11.0711 -0.660506 TIMING: 3628000 CPU: 11334.8, 0.00309803/step Wall: 11334.8, 0.00309803/step, 1.18069 hours remaining, 234.648438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3628000 3981.9646 20612.1082 14480.3743 256.4563 -203351.5096 2595.2771 0.0000 0.0000 51992.6112 -109432.7179 298.8023 -161425.3291 -109074.0727 298.7001 -253.8336 -221.9887 763052.7160 9.0850 9.0623 PRESSURE: 3628200 -68.3775 -18.6771 108.422 -18.6777 -104.227 127.364 108.422 127.365 -339.306 GPRESSURE: 3628200 -24.307 -207.388 171.887 9.38986 -111.625 64.1669 36.6926 28.3507 -286.66 PRESSAVG: 3628200 3.88839 -74.979 3.85273 -74.979 -70.5469 -43.0432 3.85274 -43.0431 6.62411 GPRESSAVG: 3628200 3.46469 -74.3842 2.80943 -74.9562 -71.7509 -43.0461 3.93292 -40.8685 8.33139 TIMING: 3628200 CPU: 11335.5, 0.00309459/step Wall: 11335.5, 0.00309459/step, 1.17921 hours remaining, 234.648438 MB of memory in use. ENERGY: 3628200 3953.6644 20335.0405 14461.4888 247.2546 -203427.4780 2764.2154 0.0000 0.0000 52051.2965 -109614.5178 299.1395 -161665.8143 -109247.9980 298.2758 -170.6368 -140.8639 762912.0604 -20.0115 -19.9849 LDB: ============= START OF LOAD BALANCING ============== 11347.9 LDB: ============== END OF LOAD BALANCING =============== 11347.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11347.9 LDB: ============= START OF LOAD BALANCING ============== 11348.3 LDB: Largest compute 7070 load 0.029947 is 15.3% of average load 0.195171 LDB: Average compute 0.004378 is 2.2% of average load 0.195171 LDB: TIME 11348.3 LOAD: AVG 0.195171 MAX 0.214604 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.77 MB LDB: TIME 11348.3 LOAD: AVG 0.195171 MAX 0.214604 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.77 MB LDB: TIME 11348.3 LOAD: AVG 0.195171 MAX 0.214604 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.77 MB LDB: ============== END OF LOAD BALANCING =============== 11348.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11348.3 PRESSURE: 3628400 -75.0263 -29.6518 -112.119 -29.6519 -241.342 -62.495 -112.12 -62.4942 -191.861 GPRESSURE: 3628400 -84.4991 -17.8507 -83.9635 42.3889 -180.822 -16.0803 -137.446 -60.303 -151.833 PRESSAVG: 3628400 27.7396 -58.6229 -40.5176 -58.6229 -13.3405 22.8045 -40.5176 22.8045 -34.9291 GPRESSAVG: 3628400 26.7279 -58.0825 -40.2776 -60.1593 -11.6091 24.2554 -41.6034 22.2848 -35.7571 TIMING: 3628400 CPU: 11336.1, 0.00318833/step Wall: 11336.1, 0.00318833/step, 1.21475 hours remaining, 233.746094 MB of memory in use. ENERGY: 3628400 3952.9154 20370.3004 14562.9465 244.7304 -203376.8562 2756.4443 0.0000 0.0000 52028.9639 -109460.5554 299.0112 -161489.5193 -109099.9369 297.9464 -169.4097 -139.0512 762642.1754 -6.8433 -6.8794 PRESSURE: 3628600 -333.321 47.3808 -176.929 47.3805 -270.456 65.1475 -176.929 65.1487 131.046 GPRESSURE: 3628600 -270.068 44.2084 -159.22 1.17919 -290.478 65.2192 -260.7 12.6053 171.352 PRESSAVG: 3628600 66.6788 -22.9723 -33.5153 -22.9723 -76.2353 15.1636 -33.5153 15.1636 -14.7806 GPRESSAVG: 3628600 68.0546 -22.7788 -33.3551 -21.9667 -77.603 15.5328 -34.322 12.244 -14.3491 TIMING: 3628600 CPU: 11336.7, 0.00311622/step Wall: 11336.7, 0.00311622/step, 1.18711 hours remaining, 233.746094 MB of memory in use. ENERGY: 3628600 4056.5690 20603.0228 14481.3993 251.5742 -202900.3551 2379.0879 0.0000 0.0000 51969.2681 -109159.4337 298.6681 -161128.7018 -108798.7762 298.6393 -157.5767 -129.7312 764666.5004 -8.1124 -7.9658 PRESSURE: 3628800 181.206 232.53 124.238 232.53 -133.149 130.044 124.238 130.044 -143.63 GPRESSURE: 3628800 210.557 179.465 122.103 196.422 -95.1179 109.208 33.146 224.952 -130.19 PRESSAVG: 3628800 77.5906 -17.3312 27.8371 -17.3312 -75.8644 1.59856 27.8371 1.59857 -0.497367 GPRESSAVG: 3628800 77.1008 -18.5024 26.9698 -17.3244 -74.6871 0.838729 29.1128 3.46602 -1.37254 TIMING: 3628800 CPU: 11337.4, 0.00310493/step Wall: 11337.4, 0.00310493/step, 1.18263 hours remaining, 233.746094 MB of memory in use. ENERGY: 3628800 3983.1872 20410.3567 14525.9732 270.8664 -203676.1981 3105.3890 0.0000 0.0000 52188.0226 -109192.4031 299.9253 -161380.4256 -108827.2477 299.1662 -31.8580 -4.9170 760260.6245 0.4096 0.3471 PRESSURE: 3629000 107.508 -131.305 -262.707 -131.305 -232.613 -129.129 -262.707 -129.128 -8.27401 GPRESSURE: 3629000 156.09 -146.709 -196.383 -221.409 -177.122 -150.509 -315.638 -120.446 -6.81578 PRESSAVG: 3629000 88.9612 -17.5523 -3.65762 -17.5523 -55.2839 -8.07204 -3.65758 -8.07201 -1.16184 GPRESSAVG: 3629000 88.0948 -17.9599 -1.70833 -19.1426 -55.2158 -7.32446 -3.40563 -8.37528 -0.0534591 TIMING: 3629000 CPU: 11338, 0.00310349/step Wall: 11338, 0.00310349/step, 1.18191 hours remaining, 233.746094 MB of memory in use. ENERGY: 3629000 4021.7082 20424.5617 14336.3087 256.2638 -203090.6728 2812.2519 0.0000 0.0000 51982.9235 -109256.6550 298.7466 -161239.5786 -108907.5538 299.0877 -44.4596 -9.2824 762141.0146 10.8385 10.9418 PRESSURE: 3629200 -279.08 -11.5323 64.1115 -11.5326 -238.589 -24.5464 64.1129 -24.5466 111.661 GPRESSURE: 3629200 -135.506 38.1456 116.97 -33.4267 -208.045 32.8907 -49.3192 64.0323 23.4465 PRESSAVG: 3629200 56.1973 19.2166 -7.72179 19.2166 -48.7453 -39.5227 -7.72178 -39.5227 11.1517 GPRESSAVG: 3629200 56.0326 20.8559 -9.97062 20.5911 -47.9662 -39.3617 -7.61217 -38.1642 10.4623 TIMING: 3629200 CPU: 11338.6, 0.00309923/step Wall: 11338.6, 0.00309923/step, 1.18012 hours remaining, 233.746094 MB of memory in use. ENERGY: 3629200 3936.4305 20373.0910 14378.3814 275.9695 -203007.2473 2587.3401 0.0000 0.0000 51974.8827 -109481.1521 298.7004 -161456.0348 -109119.0708 298.6695 -135.3363 -106.7016 763021.1424 6.2012 6.1762 PRESSURE: 3629400 -291.11 -118.963 267.162 -118.962 155.965 13.9654 267.162 13.9655 -70.6731 GPRESSURE: 3629400 -236.721 -103.59 267.736 -24.6312 210.087 -11.1538 257.219 35.7131 -89.0298 PRESSAVG: 3629400 27.7228 44.1307 -7.21883 44.1306 -49.4571 -13.7315 -7.2189 -13.7316 -20.2247 GPRESSAVG: 3629400 28.439 42.335 -6.52227 44.5791 -51.3358 -14.5664 -6.51447 -14.1523 -19.8566 TIMING: 3629400 CPU: 11339.2, 0.00311002/step Wall: 11339.2, 0.00311002/step, 1.18405 hours remaining, 233.746094 MB of memory in use. ENERGY: 3629400 3950.2235 20540.1112 14386.7903 248.2385 -203372.2480 2947.6272 0.0000 0.0000 51908.1155 -109391.1418 298.3167 -161299.2574 -109028.0813 298.6297 -68.6060 -38.5547 762388.4471 -13.9863 -14.2511 PRESSURE: 3629600 -21.9993 252.085 65.0881 252.085 -84.1295 404.915 65.0878 404.916 345.504 GPRESSURE: 3629600 90.3897 257.923 89.6204 167.702 -76.6112 367.254 65.2202 337.064 300.857 PRESSAVG: 3629600 85.6228 -19.012 69.4763 -19.012 4.04654 10.9845 69.4763 10.9845 -12.0318 GPRESSAVG: 3629600 85.705 -17.8335 69.8125 -21.1149 3.99867 9.3197 69.8822 10.7561 -12.517 TIMING: 3629600 CPU: 11339.8, 0.00310836/step Wall: 11339.8, 0.00310836/step, 1.18325 hours remaining, 233.746094 MB of memory in use. ENERGY: 3629600 3996.5023 20557.2323 14455.6663 243.0141 -203383.6327 2651.1624 0.0000 0.0000 52247.6255 -109232.4296 300.2678 -161480.0551 -108869.6931 299.4931 79.7917 104.8785 762132.5865 25.8792 25.7289 PRESSURE: 3629800 -333.019 -270.836 -127.665 -270.835 -322.986 48.9766 -127.664 48.9756 -97.8681 GPRESSURE: 3629800 -297.175 -244.135 -100.688 -111.582 -355.537 34.2588 -195.387 -71.7214 -30.2195 PRESSAVG: 3629800 4.7763 -17.4428 -0.295287 -17.4426 -36.2502 20.985 -0.295303 20.985 -18.1648 GPRESSAVG: 3629800 4.3126 -18.5122 1.17522 -15.7878 -35.0194 23.6114 0.197914 21.1414 -18.9566 TIMING: 3629800 CPU: 11340.5, 0.00310236/step Wall: 11340.5, 0.00310236/step, 1.18079 hours remaining, 233.746094 MB of memory in use. ENERGY: 3629800 3999.9255 20550.5385 14474.7352 247.3919 -203006.8588 2431.2154 0.0000 0.0000 52021.0870 -109281.9653 298.9659 -161303.0523 -108919.7186 299.1339 -251.2909 -227.6438 763550.5111 -16.5462 -16.5545 PRESSURE: 3630000 291.322 43.091 9.44443 43.0903 115.876 -53.278 9.44357 -53.2787 -177.379 GPRESSURE: 3630000 272.514 15.6468 2.72619 9.85229 150.599 -149.68 -22.2473 26.975 -119.026 PRESSAVG: 3630000 31.0273 -14.2906 25.1053 -14.2906 -1.81015 24.9172 25.1053 24.9171 -4.41747 GPRESSAVG: 3630000 30.3856 -15.1127 21.8211 -13.5721 -2.90593 24.3266 23.1866 22.7304 -3.36306 TIMING: 3630000 CPU: 11341.1, 0.00310071/step Wall: 11341.1, 0.00310071/step, 1.17999 hours remaining, 233.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3630000 3997.9716 20676.7025 14506.7929 242.1124 -203632.5746 2778.4373 0.0000 0.0000 52071.8346 -109358.7233 299.2575 -161430.5579 -109009.5770 299.5228 76.6066 101.3622 761818.9526 8.2666 8.0389 PRESSURE: 3630200 -413.398 -16.2504 124.357 -16.2509 -414.568 -70.7338 124.357 -70.7348 -274.801 GPRESSURE: 3630200 -282.323 -194.792 196.289 34.571 -420.866 -91.8278 161.764 -84.1496 -320.563 PRESSAVG: 3630200 -14.6573 -16.9763 -13.7921 -16.9763 -44.362 -8.57497 -13.792 -8.57492 -14.9644 GPRESSAVG: 3630200 -14.1062 -16.8632 -11.2434 -17.0141 -44.7774 -9.17644 -12.325 -5.97264 -14.9585 TIMING: 3630200 CPU: 11341.7, 0.00310106/step Wall: 11341.7, 0.00310106/step, 1.17995 hours remaining, 233.746094 MB of memory in use. ENERGY: 3630200 4027.3619 20617.0848 14357.2777 242.6682 -203005.6107 2526.4030 0.0000 0.0000 51745.6584 -109489.1566 297.3830 -161234.8150 -109124.3503 298.4973 -367.5893 -341.2506 764123.3869 -24.6612 -24.6140 PRESSURE: 3630400 -67.9641 -99.0019 -184.909 -99.0019 -560.983 -63.6878 -184.909 -63.6888 -10.1075 GPRESSURE: 3630400 -76.6026 -79.5485 -173.227 -43.1981 -497.299 -18.0563 -212.479 17.2517 27.8351 PRESSAVG: 3630400 -0.582796 -25.9806 -16.2428 -25.9805 1.50194 -11.2546 -16.2428 -11.2546 -19.9975 GPRESSAVG: 3630400 -0.628901 -25.9342 -16.9845 -26.7036 2.54052 -9.65245 -17.2202 -11.4562 -20.894 TIMING: 3630400 CPU: 11342.3, 0.00310588/step Wall: 11342.3, 0.00310588/step, 1.18161 hours remaining, 233.746094 MB of memory in use. ENERGY: 3630400 4017.8906 20464.1614 14455.3401 240.5475 -203515.1990 2649.4098 0.0000 0.0000 52034.0355 -109653.8141 299.0403 -161687.8496 -109284.9090 298.5838 -213.0183 -182.0222 762909.1112 -6.3595 -6.3275 PRESSURE: 3630600 -127.338 -139.879 33.5038 -139.879 -345.832 31.5671 33.5038 31.5679 -187.463 GPRESSURE: 3630600 -142.908 -66.2069 10.7294 -175.959 -241.781 -15.9906 48.3045 -132.61 -186.423 PRESSAVG: 3630600 28.7705 7.02225 -53.2163 7.02222 -33.7712 56.0511 -53.2163 56.0511 -12.0331 GPRESSAVG: 3630600 28.3023 8.14363 -52.596 7.23898 -32.5796 54.4137 -52.3098 57.2138 -12.3696 TIMING: 3630600 CPU: 11342.9, 0.00309788/step Wall: 11342.9, 0.00309788/step, 1.1784 hours remaining, 233.746094 MB of memory in use. ENERGY: 3630600 4030.7843 20547.3860 14390.8717 233.3074 -203630.5733 2643.3648 0.0000 0.0000 51991.7793 -109793.0798 298.7975 -161784.8591 -109439.8062 298.1822 -220.2108 -190.3706 761253.6086 -5.6779 -5.5489 PRESSURE: 3630800 -462.366 191.117 137.162 191.117 -299.184 -13.623 137.162 -13.6234 -164.548 GPRESSURE: 3630800 -356.21 242.208 161.397 129.879 -359.955 -65.6826 31.1945 -4.24455 -110.925 PRESSAVG: 3630800 7.51475 20.6766 -4.86213 20.6765 -2.1536 -22.4896 -4.86212 -22.4896 0.411037 GPRESSAVG: 3630800 8.68498 19.297 -5.77962 19.5471 -4.16859 -22.1792 -5.24211 -26.2054 0.864127 TIMING: 3630800 CPU: 11343.6, 0.0031159/step Wall: 11343.6, 0.0031159/step, 1.18508 hours remaining, 233.746094 MB of memory in use. ENERGY: 3630800 3931.0918 20563.5469 14389.1019 268.6057 -203100.9734 2338.2009 0.0000 0.0000 51736.3645 -109874.0618 297.3296 -161610.4263 -109514.5250 298.0977 -308.6995 -275.6966 762592.3358 1.9241 1.7935 PRESSURE: 3631000 -13.9818 85.1586 255.7 85.159 -276.615 -215.278 255.7 -215.278 237.385 GPRESSURE: 3631000 -30.5961 66.4569 249.993 117.419 -100.145 -212.808 159.607 -99.6812 182.754 PRESSAVG: 3631000 39.7501 40.2446 26.9205 40.2446 -3.76687 22.4845 26.9205 22.4845 12.1972 GPRESSAVG: 3631000 39.0643 40.0027 27.1298 40.8447 -3.12329 23.9182 26.3956 24.997 12.7318 TIMING: 3631000 CPU: 11344.2, 0.00310927/step Wall: 11344.2, 0.00310927/step, 1.18239 hours remaining, 233.746094 MB of memory in use. ENERGY: 3631000 4054.1743 20404.7825 14392.6230 248.4585 -203442.9800 2567.9551 0.0000 0.0000 51923.8663 -109851.1203 298.4072 -161774.9867 -109488.9561 297.9533 -17.7375 17.3376 760946.3516 16.0602 16.2243 PRESSURE: 3631200 -2.10713 298.134 -103.892 298.134 -242.092 80.7422 -103.892 80.7414 -234.553 GPRESSURE: 3631200 -18.8033 283.793 -46.0119 211.675 -190.613 95.0645 -89.7541 16.8952 -171.764 PRESSAVG: 3631200 47.2462 4.68292 24.5954 4.68296 -7.52859 -43.373 24.5954 -43.373 8.88343 GPRESSAVG: 3631200 47.7599 6.93352 23.5347 6.06503 -7.88844 -44.7645 24.7706 -43.437 8.97247 TIMING: 3631200 CPU: 11344.8, 0.00309775/step Wall: 11344.8, 0.00309775/step, 1.17783 hours remaining, 233.746094 MB of memory in use. ENERGY: 3631200 3984.4993 20432.9950 14484.9474 252.9231 -203476.7922 2588.1173 0.0000 0.0000 51904.2323 -109829.0779 298.2943 -161733.3102 -109460.1932 298.3383 -159.5842 -127.0599 759297.6662 16.2003 16.2813 PRESSURE: 3631400 33.6352 103.192 -15.4558 103.192 167.834 -167.471 -15.4553 -167.47 -344.816 GPRESSURE: 3631400 -5.70907 188.662 -66.2586 66.6614 151.856 -142.278 8.63776 -32.1662 -211.545 PRESSAVG: 3631400 27.3455 -17.1322 -37.3268 -17.1322 3.51382 -22.3933 -37.3268 -22.3933 -11.9925 GPRESSAVG: 3631400 27.4313 -14.6871 -38.2491 -19.1395 4.08159 -23.0847 -36.796 -22.6146 -12.6279 TIMING: 3631400 CPU: 11345.4, 0.00310792/step Wall: 11345.4, 0.00310792/step, 1.18153 hours remaining, 233.746094 MB of memory in use. ENERGY: 3631400 3965.9422 20433.3447 14445.3511 278.4994 -203635.1403 2745.3478 0.0000 0.0000 51997.3538 -109769.3013 298.8295 -161766.6552 -109408.7057 298.5280 -47.7820 -21.7993 760962.0927 6.2889 6.2950 PRESSURE: 3631600 -198.69 95.89 243.58 95.8905 -465.114 -11.2041 243.58 -11.2038 -262.473 GPRESSURE: 3631600 -235.607 17.5048 162.885 69.5062 -313.677 7.27692 158.885 -117.535 -308.464 PRESSAVG: 3631600 14.0704 -17.1993 2.53559 -17.1993 8.04344 -18.5366 2.53555 -18.5365 -11.4721 GPRESSAVG: 3631600 13.2015 -18.5009 3.50747 -16.8092 9.1973 -18.9602 2.59462 -17.6508 -11.772 TIMING: 3631600 CPU: 11346, 0.00309821/step Wall: 11346, 0.00309821/step, 1.17766 hours remaining, 233.746094 MB of memory in use. ENERGY: 3631600 3967.6610 20533.0895 14460.3577 235.8253 -203129.7770 2439.9049 0.0000 0.0000 51920.8093 -109572.1292 298.3896 -161492.9385 -109208.5397 298.1659 -308.7591 -285.9162 762997.6928 3.5472 3.5422 PRESSURE: 3631800 27.9194 -143.15 -148.287 -143.151 -110.809 -244.341 -148.287 -244.341 75.541 GPRESSURE: 3631800 43.024 -268.308 -159.455 -50.3606 -46.6499 -251.376 -215.084 -186.731 94.8728 PRESSAVG: 3631800 -33.7519 -15.5726 -2.39444 -15.5726 37.2205 -4.08454 -2.39432 -4.08449 7.08158 GPRESSAVG: 3631800 -33.9919 -17.1371 -1.82703 -14.3052 36.4123 -2.61067 -3.04251 -3.94614 8.22708 TIMING: 3631800 CPU: 11346.7, 0.00310024/step Wall: 11346.7, 0.00310024/step, 1.17826 hours remaining, 233.746094 MB of memory in use. ENERGY: 3631800 4000.4266 20517.2536 14432.6717 247.6999 -203528.2767 2929.7674 0.0000 0.0000 51881.2125 -109519.2452 298.1620 -161400.4576 -109168.6291 298.6507 -2.4494 30.4156 762515.9032 3.5167 3.5492 PRESSURE: 3632000 735.149 -205.388 -16.3673 -205.388 23.2694 139.184 -16.3672 139.183 38.1155 GPRESSURE: 3632000 636.93 -193.081 11.8301 -283.28 186.98 139.397 53.2981 96.5298 51.8413 PRESSAVG: 3632000 1.94383 -1.95387 -61.4407 -1.95391 -46.5229 17.2744 -61.4407 17.2744 15.2494 GPRESSAVG: 3632000 1.47486 -2.91476 -62.5339 -3.08171 -45.2184 19.1522 -60.6728 17.6125 15.1693 TIMING: 3632000 CPU: 11347.3, 0.00309836/step Wall: 11347.3, 0.00309836/step, 1.17738 hours remaining, 233.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3632000 4048.1746 20593.8495 14402.7775 250.6068 -203371.3936 2641.9836 0.0000 0.0000 51858.2760 -109575.7256 298.0302 -161434.0016 -109208.6617 299.0692 265.5112 291.9174 760071.0978 -9.7766 -9.5248 PRESSURE: 3632200 -271.344 -425.289 14.5575 -425.289 131.386 -229.725 14.5573 -229.726 -264.418 GPRESSURE: 3632200 -190.187 -368.868 -61.9137 -284.062 134.367 -320.084 -15.6225 -219.731 -265.635 PRESSAVG: 3632200 25.3172 -22.118 -5.4217 -22.118 -12.1585 -15.4655 -5.42172 -15.4655 16.4589 GPRESSAVG: 3632200 26.5526 -21.7215 -5.43121 -21.8497 -13.0595 -15.7889 -7.23601 -16.3002 16.1892 TIMING: 3632200 CPU: 11347.9, 0.00311109/step Wall: 11347.9, 0.00311109/step, 1.18204 hours remaining, 233.746094 MB of memory in use. ENERGY: 3632200 4006.5971 20559.4938 14393.6438 244.1421 -203243.6478 2445.2569 0.0000 0.0000 52150.0152 -109444.4989 299.7069 -161594.5140 -109083.1237 299.1059 -134.7921 -107.1516 761544.8996 9.8725 9.8941 LDB: ============= START OF LOAD BALANCING ============== 11360.4 LDB: ============== END OF LOAD BALANCING =============== 11360.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11360.4 LDB: ============= START OF LOAD BALANCING ============== 11360.7 LDB: Largest compute 7078 load 0.028955 is 14.8% of average load 0.195126 LDB: Average compute 0.004376 is 2.2% of average load 0.195126 LDB: TIME 11360.7 LOAD: AVG 0.195126 MAX 0.214851 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.801 MB LDB: TIME 11360.7 LOAD: AVG 0.195126 MAX 0.214851 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.004 MB LDB: TIME 11360.7 LOAD: AVG 0.195126 MAX 0.214851 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.004 MB LDB: ============== END OF LOAD BALANCING =============== 11360.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11360.7 PRESSURE: 3632400 308.099 31.1995 -152.617 31.1993 75.2592 -97.2256 -152.617 -97.225 -5.95961 GPRESSURE: 3632400 260.743 12.5211 -142.573 84.5113 129.194 -113.555 -113.719 39.8811 83.2919 PRESSAVG: 3632400 4.54983 25.3405 -20.5284 25.3405 -35.2189 -13.3318 -20.5284 -13.3319 6.74608 GPRESSAVG: 3632400 3.64041 26.146 -20.0832 24.9465 -34.122 -15.5317 -21.0154 -13.566 6.49567 TIMING: 3632400 CPU: 11348.5, 0.00317423/step Wall: 11348.5, 0.00317423/step, 1.20585 hours remaining, 236.820312 MB of memory in use. ENERGY: 3632400 3974.1841 20261.6003 14449.9219 259.3971 -203878.1166 3062.4140 0.0000 0.0000 52259.4015 -109611.1976 300.3355 -161870.5992 -109244.3454 299.0341 125.7995 157.7430 761269.7661 -7.9743 -7.9953 PRESSURE: 3632600 95.3616 -118.539 15.61 -118.54 -206.687 -18.2741 15.6097 -18.2746 140.11 GPRESSURE: 3632600 202.146 -137.257 45.9289 -36.9717 -138.594 -9.02141 24.2483 -35.0476 44.481 PRESSAVG: 3632600 43.8337 -12.0534 17.5471 -12.0535 -12.0987 23.152 17.5471 23.1519 4.22494 GPRESSAVG: 3632600 44.6905 -12.0459 17.0711 -12.6694 -12.5475 24.3474 20.0281 23.678 3.71858 TIMING: 3632600 CPU: 11349.2, 0.00309464/step Wall: 11349.2, 0.00309464/step, 1.17545 hours remaining, 236.890625 MB of memory in use. ENERGY: 3632600 3957.7423 20555.8035 14389.7948 270.3152 -203724.4312 2917.4332 0.0000 0.0000 51724.7718 -109908.5704 297.2630 -161633.3421 -109543.3366 298.3389 9.5947 36.0110 761933.8418 11.9866 11.9538 PRESSURE: 3632800 -108.462 353.969 292.02 353.968 297.112 -184.702 292.02 -184.703 62.016 GPRESSURE: 3632800 -123.833 258.925 213.556 336.767 278.716 -154.816 241.093 -27.7084 175.105 PRESSAVG: 3632800 -12.5611 30.3983 0.539156 30.3983 -26.6948 63.7746 0.539175 63.7746 10.1277 GPRESSAVG: 3632800 -12.1837 29.9152 -0.272324 30.5182 -27.9983 62.4101 0.942314 63.3898 10.8507 TIMING: 3632800 CPU: 11349.8, 0.00309542/step Wall: 11349.8, 0.00309542/step, 1.17557 hours remaining, 236.890625 MB of memory in use. ENERGY: 3632800 3929.0894 20519.6204 14409.5068 256.8365 -203895.5160 3095.7371 0.0000 0.0000 52093.8379 -109590.8879 299.3840 -161684.7258 -109225.0363 298.3931 83.5554 109.9962 761563.2143 -9.7094 -9.7771 PRESSURE: 3633000 325.054 -44.7996 60.2592 -44.7993 -407.501 204.943 60.26 204.942 178.135 GPRESSURE: 3633000 296.444 -5.41731 -48.0117 -132.755 -216.35 154.651 112.956 117.798 121.952 PRESSAVG: 3633000 -8.09757 25.7998 12.8055 25.7998 0.771162 -18.3451 12.8055 -18.3452 6.59686 GPRESSAVG: 3633000 -8.73712 25.3029 14.2346 27.4322 2.24015 -18.0599 12.6052 -18.4729 6.53221 TIMING: 3633000 CPU: 11350.4, 0.00309356/step Wall: 11350.4, 0.00309356/step, 1.17469 hours remaining, 236.890625 MB of memory in use. ENERGY: 3633000 3979.9423 20608.1195 14345.0122 242.1070 -203099.4305 2400.6940 0.0000 0.0000 51874.4343 -109649.1212 298.1231 -161523.5555 -109294.3989 299.0315 31.8959 67.3486 760671.8513 -0.2432 0.0117 PRESSURE: 3633200 138.113 60.4562 -142.008 60.4569 113.976 135.538 -142.008 135.537 -10.3326 GPRESSURE: 3633200 146.855 43.77 -160.506 84.1782 165.567 139.121 -243.49 72.5014 0.9231 PRESSAVG: 3633200 30.7339 -23.6016 9.8293 -23.6017 -25.7833 -44.3184 9.82936 -44.3183 -16.7299 GPRESSAVG: 3633200 29.9698 -25.1925 10.7158 -21.6894 -24.8931 -43.8385 8.38934 -44.3606 -16.7403 TIMING: 3633200 CPU: 11351, 0.00308973/step Wall: 11351, 0.00308973/step, 1.17307 hours remaining, 236.890625 MB of memory in use. ENERGY: 3633200 4028.7624 20633.8685 14311.6878 242.5176 -203261.0753 2576.7719 0.0000 0.0000 51823.3848 -109644.0822 297.8297 -161467.4669 -109283.9180 298.4395 80.5854 104.4482 761202.4773 -3.9265 -3.8879 PRESSURE: 3633400 -391.095 -54.1828 39.1466 -54.1829 91.9302 -119.393 39.1473 -119.393 -301.042 GPRESSURE: 3633400 -307.605 -53.2271 79.9908 -82.3098 127.621 -116.85 64.7312 -47.3809 -329.629 PRESSAVG: 3633400 -36.3428 12.8032 -33.6833 12.8032 47.8737 -9.86473 -33.6833 -9.86474 -6.81768 GPRESSAVG: 3633400 -37.1248 14.4109 -35.1778 10.9642 47.9594 -9.06612 -33.3568 -10.8099 -6.01817 TIMING: 3633400 CPU: 11351.6, 0.00308694/step Wall: 11351.6, 0.00308694/step, 1.17184 hours remaining, 236.890625 MB of memory in use. ENERGY: 3633400 4021.5444 20503.5076 14258.5969 229.1544 -203193.5311 2562.5737 0.0000 0.0000 52094.5977 -109523.5565 299.3884 -161618.1542 -109159.3134 298.5443 -200.0688 -169.8708 761083.0060 1.5711 1.6055 PRESSURE: 3633600 189.381 -66.0871 -110.695 -66.087 121.28 120.581 -110.696 120.581 61.8218 GPRESSURE: 3633600 180.365 -74.7609 -78.2261 -165.143 134.272 73.4636 -91.3988 130.457 135.842 PRESSAVG: 3633600 25.8116 61.2394 -25.0817 61.2394 -40.0798 26.493 -25.0817 26.4929 9.03464 GPRESSAVG: 3633600 26.1484 62.9281 -23.0099 59.9579 -40.9021 27.0375 -26.8335 27.5997 9.00736 TIMING: 3633600 CPU: 11352.3, 0.0031043/step Wall: 11352.3, 0.0031043/step, 1.17825 hours remaining, 236.890625 MB of memory in use. ENERGY: 3633600 3992.0765 20482.0654 14412.0872 239.0916 -203510.7071 2840.1064 0.0000 0.0000 51986.7230 -109558.5569 298.7684 -161545.2799 -109200.5633 298.4914 124.1608 150.1594 761419.5984 -1.7445 -1.9155 PRESSURE: 3633800 16.7736 -203.107 25.4437 -203.107 -53.1068 196.341 25.4443 196.342 66.023 GPRESSURE: 3633800 -12.9002 -162.841 -3.86683 -187.191 88.8567 94.7018 -17.8212 174.355 31.0893 PRESSAVG: 3633800 85.9634 8.202 -5.93416 8.20204 -60.1759 -6.4622 -5.93415 -6.46222 1.86813 GPRESSAVG: 3633800 86.9037 7.12844 -6.71569 7.80922 -60.4384 -7.46794 -5.25807 -5.6752 1.11141 TIMING: 3633800 CPU: 11352.9, 0.00310148/step Wall: 11352.9, 0.00310148/step, 1.17701 hours remaining, 236.890625 MB of memory in use. ENERGY: 3633800 3981.2564 20502.8536 14422.8096 264.1642 -203479.3679 2797.6570 0.0000 0.0000 51898.0551 -109612.5722 298.2588 -161510.6272 -109248.5181 298.2586 9.8966 35.6819 761925.5202 9.2185 9.1922 PRESSURE: 3634000 187.438 -75.9632 -84.2947 -75.9631 156.903 223.033 -84.2951 223.033 11.6579 GPRESSURE: 3634000 214.731 -3.71602 -39.3648 -198.918 185.175 86.2407 -12.0236 167.721 41.2233 PRESSAVG: 3634000 14.6648 -29.092 22.2699 -29.092 -36.2679 0.890471 22.2699 0.890547 26.927 GPRESSAVG: 3634000 13.5596 -27.1394 22.2452 -27.5512 -34.9213 -0.296898 23.2872 -0.226269 26.6105 TIMING: 3634000 CPU: 11353.5, 0.00310336/step Wall: 11353.5, 0.00310336/step, 1.17755 hours remaining, 236.890625 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: 3634000 3923.8473 20518.8684 14365.3494 276.7238 -203609.1119 2898.2585 0.0000 0.0000 51973.3670 -109652.6975 298.6917 -161626.0644 -109283.9256 298.3845 118.6662 147.0432 761728.3169 1.7746 1.7496 PRESSURE: 3634200 177.61 -123.964 217.285 -123.965 10.7122 -143.713 217.285 -143.713 11.8189 GPRESSURE: 3634200 202.856 -176.57 182.145 -162.753 74.6522 -133.207 268.66 -83.9695 17.4977 PRESSAVG: 3634200 -57.4556 -22.0504 -3.64874 -22.0505 28.3457 29.2026 -3.64878 29.2026 -5.49267 GPRESSAVG: 3634200 -56.6846 -25.3729 -3.18209 -21.7677 27.6046 31.9907 -2.98745 28.3895 -5.24641 TIMING: 3634200 CPU: 11354.1, 0.00310329/step Wall: 11354.1, 0.00310329/step, 1.17735 hours remaining, 236.890625 MB of memory in use. ENERGY: 3634200 3997.8403 20607.1239 14450.7276 258.0292 -203399.7433 2560.0346 0.0000 0.0000 51882.0095 -109643.9782 298.1666 -161525.9878 -109278.5302 298.9576 66.7138 98.3354 760361.7425 -11.5342 -11.4421 PRESSURE: 3634400 -178.83 8.73417 30.7901 8.73386 -55.1361 193.451 30.7892 193.45 130.485 GPRESSURE: 3634400 -183.687 95.749 71.318 75.2252 12.1325 256.202 -26.9957 227.851 161.264 PRESSAVG: 3634400 75.1399 21.463 -13.242 21.463 -96.3543 -7.55279 -13.2421 -7.55276 1.83739 GPRESSAVG: 3634400 76.2104 22.2007 -11.9792 21.306 -96.6558 -7.46983 -15.1337 -7.56447 1.3029 TIMING: 3634400 CPU: 11354.7, 0.00310064/step Wall: 11354.7, 0.00310064/step, 1.17618 hours remaining, 236.890625 MB of memory in use. ENERGY: 3634400 3994.2241 20539.8527 14451.1734 254.9326 -203553.5400 2686.5639 0.0000 0.0000 52285.7268 -109341.0665 300.4868 -161626.7933 -108978.6634 299.0712 -34.4936 -3.4301 762339.1434 -6.4590 -6.3808 PRESSURE: 3634600 54.357 -302.452 101.029 -302.451 -280.729 -133.483 101.028 -133.483 -396.024 GPRESSURE: 3634600 8.26116 -238.115 221.792 -278.968 -170.505 -85.1906 56.5325 -187.346 -385.159 PRESSAVG: 3634600 11.4496 9.05681 9.15854 9.05685 -34.807 3.15089 9.15853 3.15084 -6.58445 GPRESSAVG: 3634600 10.2033 8.94467 7.72029 8.67107 -33.5708 2.47667 11.473 5.80903 -6.69632 TIMING: 3634600 CPU: 11355.4, 0.00311612/step Wall: 11355.4, 0.00311612/step, 1.18188 hours remaining, 236.890625 MB of memory in use. ENERGY: 3634600 4029.6840 20632.0073 14480.5042 253.7113 -203204.0585 2745.5449 0.0000 0.0000 51922.2215 -109140.3852 298.3977 -161062.6067 -108780.6774 299.6088 -207.4653 -182.4675 761959.3493 -9.9806 -10.0213 PRESSURE: 3634800 -196.798 41.4145 184.441 41.4148 78.4451 -121.662 184.441 -121.663 -425.318 GPRESSURE: 3634800 -34.7729 18.6032 138.023 -28.5746 -85.1498 -97.5564 178.635 -192.458 -354.745 PRESSAVG: 3634800 20.1745 -1.86906 -16.9733 -1.86908 -50.0171 -9.56933 -16.9733 -9.56941 -8.46268 GPRESSAVG: 3634800 22.0463 0.761982 -16.5376 -2.74074 -51.7758 -9.70248 -17.6649 -9.76162 -8.76948 TIMING: 3634800 CPU: 11356, 0.00311932/step Wall: 11356, 0.00311932/step, 1.18292 hours remaining, 236.890625 MB of memory in use. ENERGY: 3634800 4087.9131 20510.9545 14443.2275 225.9157 -203525.7415 2680.8907 0.0000 0.0000 52260.6316 -109316.2084 300.3426 -161576.8399 -108953.4983 299.7721 -181.2238 -158.2226 761153.2863 -12.7684 -12.8330 PRESSURE: 3635000 -83.9533 -91.5607 45.9532 -91.5602 72.0987 345.86 45.953 345.859 -176.649 GPRESSURE: 3635000 31.0001 -82.6802 90.2424 -104.564 5.90448 313.814 25.318 243.736 -154.81 PRESSAVG: 3635000 1.09796 10.3242 -32.4818 10.3242 -2.62454 45.4021 -32.4817 45.4021 -1.99668 GPRESSAVG: 3635000 0.0445889 8.04813 -33.7144 10.9816 -2.15827 45.1278 -32.6649 43.9566 -1.63275 TIMING: 3635000 CPU: 11356.6, 0.00313944/step Wall: 11356.6, 0.00313944/step, 1.19037 hours remaining, 236.890625 MB of memory in use. ENERGY: 3635000 3970.6250 20669.3837 14505.5696 246.5197 -203454.5191 2678.0353 0.0000 0.0000 52189.0823 -109195.3037 299.9314 -161384.3860 -108829.6056 299.7086 -62.8346 -39.3018 762465.7365 -1.1744 -1.2488 PRESSURE: 3635200 190.072 136.675 -62.0725 136.675 3.7413 135.29 -62.0721 135.29 20.1455 GPRESSURE: 3635200 184.714 143.868 -8.93858 132.538 64.5195 66.636 -6.7538 194.82 49.2989 PRESSAVG: 3635200 3.8045 16.218 37.8812 16.2181 -15.8876 54.7872 37.8813 54.7871 15.8578 GPRESSAVG: 3635200 4.65654 16.9686 38.1401 15.7513 -16.2882 54.152 38.7916 56.3088 15.6403 TIMING: 3635200 CPU: 11357.2, 0.00311518/step Wall: 11357.2, 0.00311518/step, 1.181 hours remaining, 236.890625 MB of memory in use. ENERGY: 3635200 4015.7246 20542.5821 14465.1846 236.2794 -203403.1312 2792.3412 0.0000 0.0000 52018.7206 -109332.2988 298.9523 -161351.0194 -108967.8919 299.3605 71.3195 99.5108 761968.6717 1.2583 1.3362 PRESSURE: 3635400 267.988 -63.0502 -226.918 -63.0505 -250.848 101.919 -226.917 101.919 67.9008 GPRESSURE: 3635400 235.88 -66.7926 -130.743 17.4052 -67.3275 62.1233 -173.671 58.9121 3.25453 PRESSAVG: 3635400 7.63313 -3.72077 6.29662 -3.72078 -33.232 50.3226 6.29669 50.3226 1.32412 GPRESSAVG: 3635400 5.87368 -4.77992 6.80309 -3.11385 -30.7796 50.0001 5.3032 49.2415 1.55431 TIMING: 3635400 CPU: 11357.9, 0.00310471/step Wall: 11357.9, 0.00310471/step, 1.17686 hours remaining, 236.890625 MB of memory in use. ENERGY: 3635400 3946.9477 20587.1397 14444.5403 256.6185 -203709.0153 3069.6550 0.0000 0.0000 52303.9713 -109100.1427 300.5916 -161404.1140 -108733.3688 299.5597 28.3469 57.2690 763070.3158 -8.0916 -7.7839 PRESSURE: 3635600 -142.638 34.4036 31.2241 34.4037 1.50824 224.815 31.224 224.815 -230.649 GPRESSURE: 3635600 -71.0445 71.9567 -20.2571 49.8984 17.3703 209.443 65.9376 244.411 -226.389 PRESSAVG: 3635600 46.8504 -46.3762 26.6159 -46.3763 -9.37419 34.7904 26.6159 34.7903 17.9385 GPRESSAVG: 3635600 48.1324 -45.1157 25.7965 -46.9583 -12.6956 36.6558 27.4413 35.1715 19.4224 TIMING: 3635600 CPU: 11358.5, 0.00313486/step Wall: 11358.5, 0.00313486/step, 1.18811 hours remaining, 236.890625 MB of memory in use. ENERGY: 3635600 3968.0678 20560.1688 14408.0420 262.0007 -202984.8500 2547.6046 0.0000 0.0000 51834.5601 -109404.4059 297.8939 -161238.9660 -109041.0785 299.0983 -123.9264 -93.3544 763312.0361 18.4716 18.2864 PRESSURE: 3635800 118.703 -92.8962 -40.3683 -92.895 -73.1587 258.922 -40.3679 258.923 -3.44972 GPRESSURE: 3635800 125.887 -114.581 -77.0525 -33.4252 -19.8862 276.876 14.5757 227.221 21.6345 PRESSAVG: 3635800 -22.6101 8.68948 35.5382 8.68947 25.8986 23.6853 35.5382 23.6853 20.2391 GPRESSAVG: 3635800 -22.4671 7.84075 36.0106 9.18911 26.6284 23.0607 32.8589 21.664 19.0896 TIMING: 3635800 CPU: 11359.1, 0.00312267/step Wall: 11359.1, 0.00312267/step, 1.18332 hours remaining, 236.890625 MB of memory in use. ENERGY: 3635800 4051.5283 20516.3815 14420.0081 241.2299 -203713.0452 2928.7753 0.0000 0.0000 52140.4071 -109414.7150 299.6516 -161555.1221 -109055.8527 298.4791 14.0316 42.5452 763367.2154 7.8425 7.7503 PRESSURE: 3636000 109.667 88.7705 50.0151 88.7704 -87.7821 173.621 50.0155 173.621 -221.061 GPRESSURE: 3636000 151.332 150.504 12.2375 173.294 -50.7878 141.93 28.7382 104.639 -234.193 PRESSAVG: 3636000 17.7723 44.7601 11.0648 44.7602 23.2477 100.426 11.0647 100.426 -10.5275 GPRESSAVG: 3636000 16.854 44.4807 10.9293 47.0074 23.7254 100.117 13.1612 100.932 -10.5467 TIMING: 3636000 CPU: 11359.7, 0.00310739/step Wall: 11359.7, 0.00310739/step, 1.17735 hours remaining, 236.890625 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: 3636000 3959.3507 20553.4569 14472.1325 243.1109 -203107.1479 2545.2681 0.0000 0.0000 52047.4386 -109286.3901 299.1173 -161333.8286 -108924.0640 298.7025 -66.3919 -44.5497 762804.1824 10.1642 10.0109 PRESSURE: 3636200 -106.003 -213.712 99.2241 -213.712 -256.777 206.153 99.2245 206.152 -383.251 GPRESSURE: 3636200 -89.1879 -135.799 58.1906 -15.539 -194.825 244.624 -11.0804 24.3968 -381.6 PRESSAVG: 3636200 9.26868 -24.8898 -15.5216 -24.8899 -28.0963 68.7755 -15.5216 68.7755 -2.82976 GPRESSAVG: 3636200 9.9874 -22.0658 -16.3434 -25.8839 -28.635 66.6074 -16.7318 70.2868 -3.31128 TIMING: 3636200 CPU: 11360.3, 0.00310898/step Wall: 11360.3, 0.00310898/step, 1.17778 hours remaining, 236.890625 MB of memory in use. ENERGY: 3636200 4016.3638 20593.9872 14447.4807 263.2132 -202929.2446 2381.6584 0.0000 0.0000 52064.6082 -109161.9332 299.2160 -161226.5413 -108799.6770 299.4708 -248.6768 -221.8708 762964.1991 -7.2191 -7.3196 LDB: ============= START OF LOAD BALANCING ============== 11372.8 LDB: ============== END OF LOAD BALANCING =============== 11372.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11372.8 LDB: ============= START OF LOAD BALANCING ============== 11373.1 LDB: Largest compute 7078 load 0.027920 is 14.3% of average load 0.195250 LDB: Average compute 0.004367 is 2.2% of average load 0.195250 LDB: TIME 11373.1 LOAD: AVG 0.19525 MAX 0.213506 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.344 MB LDB: TIME 11373.1 LOAD: AVG 0.19525 MAX 0.213506 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.348 MB LDB: TIME 11373.1 LOAD: AVG 0.19525 MAX 0.213506 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.348 MB LDB: ============== END OF LOAD BALANCING =============== 11373.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11373.1 PRESSURE: 3636400 103.209 -89.0925 54.4862 -89.0918 15.4259 -21.1144 54.4878 -21.1147 -40.1301 GPRESSURE: 3636400 198.662 -77.5968 92.2309 -11.2701 -6.32936 -29.8731 -4.48326 21.8013 -32.9076 PRESSAVG: 3636400 32.0629 -13.8523 3.10615 -13.8523 -3.66027 35.1079 3.10616 35.1079 -5.1778 GPRESSAVG: 3636400 31.8141 -16.0938 4.85389 -12.9079 -3.08661 37.6352 4.64733 32.0126 -5.54687 TIMING: 3636400 CPU: 11361, 0.00318463/step Wall: 11361, 0.00318463/step, 1.20627 hours remaining, 233.343750 MB of memory in use. ENERGY: 3636400 4039.0603 20620.7235 14493.4992 253.5686 -203293.9957 2540.4892 0.0000 0.0000 52014.0591 -109332.5958 298.9255 -161346.6549 -108976.1968 299.5616 26.1681 53.1418 760691.2801 7.7416 7.7269 PRESSURE: 3636600 -290.748 -24.5697 143.307 -24.5695 -454.45 116.544 143.307 116.543 48.4096 GPRESSURE: 3636600 -277.205 -1.46541 165.973 27.8785 -424.658 62.7968 110.622 72.2493 87.1145 PRESSAVG: 3636600 -16.3993 -8.15344 -27.5734 -8.15347 -13.1148 51.103 -27.5734 51.103 22.3635 GPRESSAVG: 3636600 -16.5822 -7.61469 -26.3365 -8.61802 -12.4308 50.6139 -28.2818 54.4967 22.5048 TIMING: 3636600 CPU: 11361.6, 0.00311976/step Wall: 11361.6, 0.00311976/step, 1.18152 hours remaining, 233.343750 MB of memory in use. ENERGY: 3636600 4028.6196 20640.4772 14521.3088 239.1344 -203393.2961 2738.4874 0.0000 0.0000 51869.1053 -109356.1634 298.0925 -161225.2687 -108992.4931 299.3896 -232.2629 -204.9160 762307.1060 -2.3835 -2.1694 PRESSURE: 3636800 -178.432 -114.387 -71.8318 -114.387 235.033 78.846 -71.8318 78.8467 8.73151 GPRESSURE: 3636800 -145.509 -84.3286 -42.1145 -176.025 184.413 82.3148 -104.548 -27.3652 109.737 PRESSAVG: 3636800 10.0922 -6.01565 9.87367 -6.01577 30.7969 -0.0918876 9.87372 -0.0918937 -0.898397 GPRESSAVG: 3636800 10.4514 -7.1395 8.60918 -7.41856 29.2635 0.506865 9.31626 -2.93751 -0.504443 TIMING: 3636800 CPU: 11362.2, 0.00310287/step Wall: 11362.2, 0.00310287/step, 1.17495 hours remaining, 233.343750 MB of memory in use. ENERGY: 3636800 4042.2452 20537.4219 14464.7746 251.1040 -203723.5194 2915.1349 0.0000 0.0000 52166.1431 -109346.6957 299.7995 -161512.8388 -108984.9016 299.0649 21.7774 49.5471 760952.9163 13.3302 13.0702 PRESSURE: 3637000 418.901 -3.04483 110.842 -3.04574 -42.908 8.61376 110.842 8.61545 -5.01134 GPRESSURE: 3637000 406.164 -101.548 192.289 35.3805 -66.8234 13.317 -3.47144 137.681 112.592 PRESSAVG: 3637000 -24.8978 -43.7517 -3.60899 -43.7517 -23.0672 40.2639 -3.60898 40.2639 6.02075 GPRESSAVG: 3637000 -24.9911 -43.8699 -2.67677 -42.8143 -22.7899 40.6166 -4.94777 39.385 6.50052 TIMING: 3637000 CPU: 11362.8, 0.00310675/step Wall: 11362.8, 0.00310675/step, 1.17625 hours remaining, 233.343750 MB of memory in use. ENERGY: 3637000 4030.3009 20638.6215 14510.6676 266.7618 -203453.5188 3014.9885 0.0000 0.0000 51888.5201 -109103.6586 298.2040 -160992.1786 -108749.7766 298.9772 123.6606 150.6445 762820.5859 -13.9814 -13.7602 PRESSURE: 3637200 -308.745 -66.8845 -179.119 -66.8843 124.507 -76.3097 -179.12 -76.3098 206.694 GPRESSURE: 3637200 -242.191 -206.955 -141.218 -1.30479 121.871 -123.023 -201.393 -67.5263 230.176 PRESSAVG: 3637200 6.10019 -56.2785 -48.7529 -56.2785 -34.1679 -2.80598 -48.7529 -2.80593 4.38093 GPRESSAVG: 3637200 6.34751 -55.6571 -49.8613 -56.6473 -32.8483 -4.14 -48.1157 -0.654824 3.19583 TIMING: 3637200 CPU: 11363.5, 0.00311208/step Wall: 11363.5, 0.00311208/step, 1.17809 hours remaining, 233.343750 MB of memory in use. ENERGY: 3637200 3998.8703 20517.0080 14489.5534 261.5640 -203236.6655 2705.1602 0.0000 0.0000 52005.3101 -109259.1994 298.8752 -161264.5095 -108905.7101 299.2186 7.4855 36.6186 761216.3347 -7.8956 -7.7683 PRESSURE: 3637400 -3.76209 22.8978 -147.976 22.8968 -178.975 -34.4241 -147.976 -34.4244 292.786 GPRESSURE: 3637400 -44.7111 76.5663 -232.313 -41.2768 -0.612037 32.0554 -138.397 -122.551 242.404 PRESSAVG: 3637400 -20.2593 -26.4255 -17.0145 -26.4255 0.135535 29.1383 -17.0145 29.1383 12.5088 GPRESSAVG: 3637400 -18.5468 -25.6541 -18.4836 -27.5718 -0.195809 30.8157 -14.3756 27.8977 11.5686 TIMING: 3637400 CPU: 11364.1, 0.00309974/step Wall: 11364.1, 0.00309974/step, 1.17325 hours remaining, 233.343750 MB of memory in use. ENERGY: 3637400 3943.5491 20478.7188 14446.5757 246.4927 -202789.4848 2612.2299 0.0000 0.0000 52010.2358 -109051.6829 298.9035 -161061.9187 -108695.3909 299.4840 36.6830 65.6935 763902.4573 -2.5383 -2.3914 PRESSURE: 3637600 69.0199 171.571 -25.9339 171.57 4.22852 322.285 -25.9332 322.286 -296.055 GPRESSURE: 3637600 93.9414 99.5881 -64.532 201.589 46.7303 435.142 -64.5963 220.697 -263.808 PRESSAVG: 3637600 -46.5617 49.006 -17.574 49.0059 38.8556 42.6939 -17.5739 42.6938 -6.12604 GPRESSAVG: 3637600 -47.3944 48.3715 -16.4515 50.4516 37.8433 41.1497 -19.8869 42.8752 -3.44997 TIMING: 3637600 CPU: 11364.7, 0.00310379/step Wall: 11364.7, 0.00310379/step, 1.17461 hours remaining, 233.343750 MB of memory in use. ENERGY: 3637600 4025.9117 20496.6321 14393.2780 247.6057 -203292.8163 2905.1899 0.0000 0.0000 52149.9254 -109074.2734 299.7063 -161224.1988 -108714.2663 299.3965 -74.2689 -41.0454 764824.9125 -4.6107 -4.3337 PRESSURE: 3637800 167.342 3.81313 101.37 3.814 -239.496 -113.194 101.37 -113.194 130.719 GPRESSURE: 3637800 244.078 -70.0243 108.759 60.0752 -147.854 -110.872 37.2688 78.065 16.6096 PRESSAVG: 3637800 28.0385 76.0082 65.9777 76.0082 -66.8201 33.4539 65.9777 33.454 -13.5207 GPRESSAVG: 3637800 28.6115 75.3415 66.4596 75.723 -65.3202 33.8427 65.173 33.8425 -15.6264 TIMING: 3637800 CPU: 11365.3, 0.00311104/step Wall: 11365.3, 0.00311104/step, 1.17718 hours remaining, 233.343750 MB of memory in use. ENERGY: 3637800 3956.6134 20591.1284 14460.6304 227.9789 -203208.0723 2965.6645 0.0000 0.0000 52049.0497 -108957.0071 299.1266 -161006.0568 -108607.4736 298.8687 19.5214 37.6110 765337.1744 -17.4341 -17.4450 PRESSURE: 3638000 -25.0785 5.55477 -67.9175 5.55642 -351.114 -208.05 -67.9173 -208.05 -93.0876 GPRESSURE: 3638000 50.3753 8.39964 -109.662 -44.8761 -388.933 -210.491 -170.205 -90.6879 -48.5974 PRESSAVG: 3638000 23.7783 -1.08348 55.5419 -1.08346 -30.0461 -4.71076 55.5419 -4.71078 12.5005 GPRESSAVG: 3638000 23.1903 1.74971 56.1953 -2.03889 -31.5117 -4.29562 55.2902 -4.39253 14.4444 TIMING: 3638000 CPU: 11366, 0.00311383/step Wall: 11366, 0.00311383/step, 1.17806 hours remaining, 233.343750 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: 3638000 4034.0166 20587.3931 14435.1816 269.3244 -202718.9406 2552.8873 0.0000 0.0000 52088.5014 -108751.6362 299.3533 -160840.1376 -108399.7882 299.6065 -156.4266 -129.0516 766665.8416 2.0775 2.0410 PRESSURE: 3638200 -21.6347 8.81405 301.109 8.81392 -274.341 255.469 301.109 255.47 -164.269 GPRESSURE: 3638200 9.71221 132.373 222.452 72.2997 -231.726 231.694 310.153 163.058 -137.214 PRESSAVG: 3638200 36.1682 -26.4545 -2.03145 -26.4545 -42.6138 30.6786 -2.03144 30.6786 -11.3735 GPRESSAVG: 3638200 35.5872 -26.7954 -4.34112 -26.0716 -41.6876 29.9952 2.14361 29.5813 -11.7568 TIMING: 3638200 CPU: 11366.6, 0.00311899/step Wall: 11366.6, 0.00311899/step, 1.17985 hours remaining, 233.343750 MB of memory in use. ENERGY: 3638200 4015.4025 20721.3487 14506.7128 250.9102 -203296.4853 2717.1894 0.0000 0.0000 52084.1119 -109000.8099 299.3281 -161084.9218 -108640.3117 299.5448 -153.4151 -119.7424 765064.2452 -5.9397 -5.9524 PRESSURE: 3638400 -473.706 -11.6074 7.8829 -11.6076 -159.061 55.3142 7.88165 55.3137 58.6924 GPRESSURE: 3638400 -312.732 -114.856 10.9789 -27.9494 -233.625 -21.6512 -92.6902 -47.5762 45.8414 PRESSAVG: 3638400 8.51389 25.2543 11.8469 25.2543 -41.6974 65.4551 11.8469 65.4551 15.3598 GPRESSAVG: 3638400 10.2965 23.9537 13.4372 25.9295 -42.1272 67.6198 8.23903 64.6473 14.193 TIMING: 3638400 CPU: 11367.2, 0.00311048/step Wall: 11367.2, 0.00311048/step, 1.17645 hours remaining, 233.343750 MB of memory in use. ENERGY: 3638400 4024.9952 20593.6825 14432.4925 250.6342 -203268.6877 2829.8511 0.0000 0.0000 51913.9795 -109223.0527 298.3504 -161137.0321 -108866.5113 299.5830 -191.3582 -166.8386 763397.5848 -5.9412 -5.8792 PRESSURE: 3638600 61.9747 -73.8384 -83.834 -73.8378 -137.958 -55.7243 -83.8337 -55.725 58.1871 GPRESSURE: 3638600 108.824 -48.8756 -36.9273 -125.96 -118.15 27.6965 -138.349 -51.7455 62.9155 PRESSAVG: 3638600 47.8849 -40.9295 26.7316 -40.9295 -38.695 18.3618 26.7316 18.3618 9.39597 GPRESSAVG: 3638600 48.1567 -40.5558 25.8556 -39.9102 -39.8128 17.2269 27.1459 21.3825 10.3642 TIMING: 3638600 CPU: 11367.8, 0.00310455/step Wall: 11367.8, 0.00310455/step, 1.17404 hours remaining, 233.343750 MB of memory in use. ENERGY: 3638600 3969.2589 20626.5371 14515.1564 253.6651 -203093.4363 2723.9945 0.0000 0.0000 51883.8198 -109121.0046 298.1770 -161004.8244 -108756.7009 298.8966 -5.9321 17.8633 764708.6755 6.1953 6.2360 PRESSURE: 3638800 169.72 -19.694 -6.64287 -19.6938 265.785 105.52 -6.64234 105.521 231.893 GPRESSURE: 3638800 205.623 -132.432 18.111 -127.312 300.05 61.4437 -43.9751 139.711 257.642 PRESSAVG: 3638800 80.0899 2.68689 25.0418 2.68688 -63.8445 46.3255 25.0418 46.3255 -6.3697 GPRESSAVG: 3638800 78.3676 3.49204 24.671 1.48276 -62.9655 45.2272 25.6794 47.4923 -5.40042 TIMING: 3638800 CPU: 11368.4, 0.0031/step Wall: 11368.4, 0.0031/step, 1.17214 hours remaining, 233.343750 MB of memory in use. ENERGY: 3638800 4011.2819 20522.8213 14472.8509 279.8854 -203275.8803 2806.6527 0.0000 0.0000 52042.5156 -109139.8725 299.0891 -161182.3881 -108770.6902 299.1844 222.4660 254.4383 763685.5944 3.2919 3.3339 PRESSURE: 3639000 251.35 113.578 197.96 113.578 102.206 44.6587 197.96 44.6586 251.712 GPRESSURE: 3639000 252.941 134.313 151.957 275.655 107.183 58.024 123.802 80.5539 312.026 PRESSAVG: 3639000 21.2693 34.5778 -10.2626 34.5778 -7.40217 24.432 -10.2626 24.4321 -8.43156 GPRESSAVG: 3639000 23.4742 35.3716 -11.4248 33.9569 -8.45849 25.1599 -10.8715 23.0564 -9.25128 TIMING: 3639000 CPU: 11369.1, 0.00311628/step Wall: 11369.1, 0.00311628/step, 1.17813 hours remaining, 233.343750 MB of memory in use. ENERGY: 3639000 4003.0360 20406.1789 14491.0253 233.9960 -203503.9938 2962.7948 0.0000 0.0000 52268.7987 -109138.1640 300.3895 -161406.9628 -108770.5082 299.5636 201.7559 224.0498 762877.2391 1.8118 1.9215 PRESSURE: 3639200 15.2783 37.7698 -215.996 37.7696 242.43 1.70912 -215.996 1.70945 -208.652 GPRESSURE: 3639200 91.3712 71.6078 -178.401 -2.47182 241.674 3.13229 -79.34 14.8902 -182.338 PRESSAVG: 3639200 34.175 5.95828 12.3657 5.95832 15.4409 -13.5777 12.3656 -13.5777 -16.8618 GPRESSAVG: 3639200 33.6662 6.62864 14.3134 4.13112 16.0099 -14.7831 13.9474 -13.9315 -16.738 TIMING: 3639200 CPU: 11369.7, 0.00310577/step Wall: 11369.7, 0.00310577/step, 1.17398 hours remaining, 233.343750 MB of memory in use. ENERGY: 3639200 4010.0892 20558.1344 14415.1406 244.0727 -203721.9058 3095.1654 0.0000 0.0000 52106.5583 -109292.7453 299.4571 -161399.3036 -108922.0490 299.5759 16.3520 50.2358 762469.5575 10.9181 10.9794 PRESSURE: 3639400 -92.8984 82.9498 -376.794 82.9505 22.2419 -65.0031 -376.793 -65.003 161.396 GPRESSURE: 3639400 -44.5324 -7.05068 -331.966 163.387 55.0941 -80.8339 -217.008 -17.2833 147.441 PRESSAVG: 3639400 -24.5164 51.6741 18.8387 51.6741 5.21527 -7.94988 18.8387 -7.94995 -7.46951 GPRESSAVG: 3639400 -25.0623 50.2139 19.3112 54.0343 5.07167 -6.80963 20.4199 -9.35917 -6.86188 TIMING: 3639400 CPU: 11370.3, 0.00310141/step Wall: 11370.3, 0.00310141/step, 1.17216 hours remaining, 233.343750 MB of memory in use. ENERGY: 3639400 3957.1532 20504.6458 14413.8107 247.8449 -203888.4545 3171.0511 0.0000 0.0000 52123.7967 -109470.1521 299.5562 -161593.9488 -109108.5863 298.8838 30.2466 52.6675 763003.4853 -8.9235 -8.9508 PRESSURE: 3639600 -5.09966 121.352 304.943 121.353 32.0089 40.7129 304.942 40.7133 -68.2969 GPRESSURE: 3639600 -6.58171 76.6847 270.99 -63.9546 163.132 110.068 255.444 92.2453 -104.296 PRESSAVG: 3639600 25.47 30.1707 -8.27206 30.1707 12.7155 55.5895 -8.27212 55.5894 13.1284 GPRESSAVG: 3639600 24.4633 30.7671 -8.84198 28.8969 13.3933 54.9416 -11.0393 56.1186 12.8431 TIMING: 3639600 CPU: 11370.9, 0.00309815/step Wall: 11370.9, 0.00309815/step, 1.17076 hours remaining, 233.343750 MB of memory in use. ENERGY: 3639600 3964.0975 20433.1759 14511.9797 233.1921 -203404.1882 2823.0908 0.0000 0.0000 52108.8765 -109329.7757 299.4704 -161438.6521 -108950.0066 299.1533 -13.7959 17.4181 763187.4660 17.1046 16.8999 PRESSURE: 3639800 -28.269 111.641 -198.654 111.641 -223.214 273.096 -198.654 273.096 58.7305 GPRESSURE: 3639800 4.9108 132.788 -178.375 186.728 -164.019 266.131 -262.245 256.603 34.8284 PRESSAVG: 3639800 -8.80774 -1.52349 -27.9516 -1.52342 5.26798 7.09496 -27.9516 7.09495 30.746 GPRESSAVG: 3639800 -8.75412 -4.04039 -27.8401 0.336257 4.91411 7.14789 -26.6149 7.97022 30.5967 TIMING: 3639800 CPU: 11371.6, 0.00311246/step Wall: 11371.6, 0.00311246/step, 1.17599 hours remaining, 233.343750 MB of memory in use. ENERGY: 3639800 3932.8797 20683.8866 14457.4335 270.9878 -203205.6765 2775.5903 0.0000 0.0000 52081.6914 -109003.2071 299.3142 -161084.8985 -108652.0489 299.3958 -64.2508 -41.4266 763309.9994 9.0687 8.9189 PRESSURE: 3640000 231.644 111.555 -34.9601 111.555 247.413 -220.312 -34.9598 -220.311 167.858 GPRESSURE: 3640000 271.227 101.569 125.804 178.545 215.651 -287.807 -0.589513 -190.46 226.769 PRESSAVG: 3640000 1.65035 13.0809 -25.3627 13.0809 -72.9778 14.7245 -25.3627 14.7246 -3.70315 GPRESSAVG: 3640000 2.02716 14.9468 -24.9371 14.6447 -72.689 14.6769 -25.3846 12.9042 -4.1185 TIMING: 3640000 CPU: 11372.2, 0.00309928/step Wall: 11372.2, 0.00309928/step, 1.17084 hours remaining, 233.343750 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: 3640000 3969.0278 20434.2656 14461.1725 239.9167 -202921.1124 2709.2984 0.0000 0.0000 52242.2375 -108865.1939 300.2369 -161107.4314 -108495.3960 300.0773 215.6381 237.8821 764801.8273 -25.0102 -24.9268 PRESSURE: 3640200 -57.7825 -76.2567 98.8786 -76.2571 -115.678 -322.463 98.8786 -322.463 6.77611 GPRESSURE: 3640200 -82.6198 -97.401 46.4845 -100.902 -145.337 -301.828 -126.865 -271.437 138.03 PRESSAVG: 3640200 42.8845 -3.01956 -49.1431 -3.0196 -65.4514 -78.2144 -49.1431 -78.2145 4.78161 GPRESSAVG: 3640200 42.2034 -2.32758 -49.8782 -4.86899 -65.0221 -77.6806 -49.579 -77.2493 4.60889 TIMING: 3640200 CPU: 11372.8, 0.00310958/step Wall: 11372.8, 0.00310958/step, 1.17456 hours remaining, 233.343750 MB of memory in use. ENERGY: 3640200 4034.8014 20406.5729 14472.6871 222.5156 -203270.9219 2987.9777 0.0000 0.0000 52017.6304 -109128.7369 298.9460 -161146.3673 -108774.0772 299.3786 -55.5616 -29.9756 764178.8402 -5.9284 -6.0699 LDB: ============= START OF LOAD BALANCING ============== 11385.3 LDB: ============== END OF LOAD BALANCING =============== 11385.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11385.3 LDB: ============= START OF LOAD BALANCING ============== 11385.6 LDB: Largest compute 7038 load 0.029046 is 14.9% of average load 0.195302 LDB: Average compute 0.004359 is 2.2% of average load 0.195302 LDB: TIME 11385.6 LOAD: AVG 0.195302 MAX 0.218121 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.117 MB LDB: TIME 11385.6 LOAD: AVG 0.195302 MAX 0.218121 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.117 MB LDB: TIME 11385.6 LOAD: AVG 0.195302 MAX 0.217934 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.117 MB LDB: ============== END OF LOAD BALANCING =============== 11385.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11385.6 PRESSURE: 3640400 -274.157 122.543 169.155 122.543 -96.8651 -129.614 169.156 -129.613 169.953 GPRESSURE: 3640400 -208.196 71.5939 149.47 123.147 -101.913 -106.334 164.421 -132.442 208.31 PRESSAVG: 3640400 14.1582 -24.0194 14.6069 -24.0194 -9.06992 1.32997 14.607 1.33003 16.0053 GPRESSAVG: 3640400 14.5189 -27.0113 15.2752 -23.9859 -9.64856 1.8447 14.4451 2.48458 16.4359 TIMING: 3640400 CPU: 11373.4, 0.00316449/step Wall: 11373.4, 0.00316449/step, 1.19512 hours remaining, 234.257812 MB of memory in use. ENERGY: 3640400 4052.6398 20518.2110 14477.1018 235.6221 -203245.7982 2732.4177 0.0000 0.0000 52077.5301 -109152.2757 299.2903 -161229.8058 -108778.8995 299.3823 -67.0233 -33.9331 764009.7467 7.0312 7.1021 PRESSURE: 3640600 68.1376 -58.7636 -91.1293 -58.7634 -316.57 -84.7588 -91.1294 -84.7584 -129.994 GPRESSURE: 3640600 111.441 -138.96 -103.744 -131.094 -297.678 -49.6369 50.3272 -109.341 -119.206 PRESSAVG: 3640600 25.1979 -13.3569 -25.1255 -13.3568 -24.4573 -22.8753 -25.1255 -22.8753 -17.1814 GPRESSAVG: 3640600 25.9321 -12.9608 -26.6923 -14.0765 -26.5591 -23.7288 -26.0341 -24.1779 -16.9141 TIMING: 3640600 CPU: 11374, 0.00309316/step Wall: 11374, 0.00309316/step, 1.16801 hours remaining, 234.460938 MB of memory in use. ENERGY: 3640600 4003.1505 20527.8981 14458.0639 250.1632 -203129.6834 2643.2479 0.0000 0.0000 52140.1360 -109107.0238 299.6501 -161247.1598 -108743.0101 299.4557 -126.1418 -101.8142 763880.5583 -5.4802 -5.8470 PRESSURE: 3640800 88.3054 10.9849 -120.982 10.9848 -185.774 91.451 -120.982 91.4511 -357.573 GPRESSURE: 3640800 94.3566 -105.078 -110.077 10.1569 -128.903 168.013 -232.249 226.304 -348.531 PRESSAVG: 3640800 15.4997 -23.5473 20.2763 -23.5472 -32.2472 -21.7777 20.2763 -21.7778 31.3499 GPRESSAVG: 3640800 15.8795 -22.946 20.5866 -23.4958 -32.137 -21.5205 19.6162 -21.8012 30.2893 TIMING: 3640800 CPU: 11374.7, 0.00308921/step Wall: 11374.7, 0.00308921/step, 1.16635 hours remaining, 234.460938 MB of memory in use. ENERGY: 3640800 4004.6542 20507.6186 14423.5228 249.8316 -203481.6985 2841.8180 0.0000 0.0000 52285.2185 -109169.0348 300.4839 -161454.2533 -108798.1342 298.9995 -151.6804 -127.6925 763901.9159 4.8675 4.6773 PRESSURE: 3641000 195.87 -102.75 -196.796 -102.751 281.097 154.364 -196.795 154.365 -31.1943 GPRESSURE: 3641000 122.03 -77.7122 -227.69 -99.3069 360.774 99.1863 -217.709 30.8083 27.4737 PRESSAVG: 3641000 -9.52275 -45.3072 -35.8124 -45.3071 -0.391364 27.1383 -35.8124 27.1383 -16.429 GPRESSAVG: 3641000 -9.83133 -46.5246 -35.072 -43.8783 -0.408076 28.2908 -35.1407 25.3788 -15.9941 TIMING: 3641000 CPU: 11375.3, 0.00309515/step Wall: 11375.3, 0.00309514/step, 1.16842 hours remaining, 234.460938 MB of memory in use. ENERGY: 3641000 3980.6111 20639.8494 14464.5822 234.3612 -203193.0135 3018.4183 0.0000 0.0000 51792.4594 -109062.7320 297.6520 -160855.1914 -108691.6309 299.1815 148.5908 170.0928 763726.6971 -8.7811 -8.7445 PRESSURE: 3641200 -228.64 85.5661 -67.4862 85.5672 76.3467 -32.9106 -67.4862 -32.9102 -137 GPRESSURE: 3641200 -197.89 15.1558 -80.9595 13.2724 98.9891 -41.1185 -60.1031 88.299 -99.6371 PRESSAVG: 3641200 -56.9684 -24.8791 -33.9243 -24.8791 -5.13358 -12.7427 -33.9243 -12.7427 -3.96396 GPRESSAVG: 3641200 -59.1131 -24.3794 -33.5578 -26.1267 -4.03965 -14.1923 -32.9293 -9.98357 -2.78513 TIMING: 3641200 CPU: 11375.9, 0.00312221/step Wall: 11375.9, 0.00312221/step, 1.17846 hours remaining, 234.460938 MB of memory in use. ENERGY: 3641200 4002.4879 20504.0671 14416.0719 247.6242 -203208.9578 2892.5803 0.0000 0.0000 52283.6287 -108862.4977 300.4747 -161146.1264 -108493.0111 299.5818 -96.4309 -66.1794 763556.8853 -22.0220 -21.9793 PRESSURE: 3641400 100.663 -88.8181 -168.115 -88.8189 119.645 -102.888 -168.115 -102.887 -184.956 GPRESSURE: 3641400 192.554 -2.21253 -197.557 -19.0802 55.4096 -81.9403 -168.807 -187.856 -126.664 PRESSAVG: 3641400 0.727165 -3.27012 -52.5176 -3.27017 -10.6433 -10.0468 -52.5176 -10.0466 33.1609 GPRESSAVG: 3641400 1.96101 -2.25003 -51.0507 -2.77729 -11.6308 -11.4024 -52.9041 -11.6795 32.4243 TIMING: 3641400 CPU: 11376.5, 0.00311709/step Wall: 11376.5, 0.00311709/step, 1.17636 hours remaining, 234.460938 MB of memory in use. ENERGY: 3641400 4002.8644 20582.9832 14492.9922 246.4817 -203358.6068 2912.1354 0.0000 0.0000 52217.2961 -108903.8539 300.0935 -161121.1500 -108529.2704 300.1042 11.7836 40.4330 765866.7680 7.7482 7.5848 PRESSURE: 3641600 -353.351 -135.909 268.704 -135.909 -544.861 -96.8984 268.703 -96.8985 -214.492 GPRESSURE: 3641600 -390.11 -114.327 295.277 -73.8174 -435.8 -57.6657 152.879 -53.4301 -219.68 PRESSAVG: 3641600 -42.3654 -29.2405 45.1077 -29.2406 11.8632 -58.512 45.1077 -58.512 28.9947 GPRESSAVG: 3641600 -41.7558 -28.9303 43.4399 -27.5998 12.1534 -56.7841 44.7155 -57.7031 28.6401 TIMING: 3641600 CPU: 11377.2, 0.00310753/step Wall: 11377.2, 0.00310753/step, 1.17257 hours remaining, 234.460938 MB of memory in use. ENERGY: 3641600 4036.9958 20495.2627 14470.6129 249.7789 -202736.1605 2347.7942 0.0000 0.0000 51999.3158 -109136.4002 298.8408 -161135.7159 -108764.8023 299.4217 -370.9012 -348.5298 765083.3527 -0.5025 -0.3207 PRESSURE: 3641800 -139.579 -85.4431 97.2689 -85.4433 -299.783 -30.5494 97.2695 -30.5499 61.0466 GPRESSURE: 3641800 -199.8 -205.181 84.3968 -48.6295 -184.197 -26.6648 70.061 -5.30149 82.0569 PRESSAVG: 3641800 -44.6748 -11.7013 -32.4619 -11.7013 31.5211 -0.686239 -32.4619 -0.686193 -20.9644 GPRESSAVG: 3641800 -45.6152 -12.7895 -33.6505 -12.2528 32.1364 -0.863127 -30.3568 1.15804 -20.8012 TIMING: 3641800 CPU: 11377.8, 0.00310996/step Wall: 11377.8, 0.00310997/step, 1.17332 hours remaining, 234.460938 MB of memory in use. ENERGY: 3641800 3951.7446 20635.2003 14490.5393 254.3837 -202984.2245 2484.0384 0.0000 0.0000 52207.3000 -108961.0183 300.0361 -161168.3182 -108596.7613 299.4687 -126.1052 -100.6470 763608.8254 -11.3727 -11.4266 PRESSURE: 3642000 -85.2418 32.2376 4.19882 32.2372 -14.475 2.79269 4.19832 2.79303 252.79 GPRESSURE: 3642000 -30.1424 85.2638 76.0035 29.2418 1.87014 23.4404 32.7627 140.656 272.284 PRESSAVG: 3642000 -24.3646 8.56106 6.80167 8.56106 6.28337 5.51459 6.80173 5.51462 -9.18239 GPRESSAVG: 3642000 -24.076 9.25154 8.56387 8.41027 5.56043 5.39041 5.52825 5.00713 -8.63862 TIMING: 3642000 CPU: 11378.4, 0.0031152/step Wall: 11378.4, 0.0031152/step, 1.17512 hours remaining, 234.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3642000 4016.3830 20636.7789 14498.5466 259.1075 -203294.2584 2905.3086 0.0000 0.0000 52241.8936 -108736.2403 300.2349 -160978.1339 -108383.9878 299.7463 51.0245 81.3373 764286.0883 -9.0879 -9.0514 PRESSURE: 3642200 -193.077 -139.074 74.364 -139.074 -67.668 57.8793 74.3636 57.8784 68.2775 GPRESSURE: 3642200 -109.019 -83.544 74.5812 -99.4979 -95.3334 -53.7379 -21.5169 41.5289 106.833 PRESSAVG: 3642200 -38.9456 -28.9936 -51.3297 -28.9935 -2.87198 -8.02348 -51.3296 -8.02344 14.4977 GPRESSAVG: 3642200 -40.0611 -30.0556 -52.3793 -27.1323 -1.68716 -8.34232 -49.7541 -9.31402 14.5553 TIMING: 3642200 CPU: 11379, 0.00313795/step Wall: 11379, 0.00313795/step, 1.18353 hours remaining, 234.460938 MB of memory in use. ENERGY: 3642200 4069.9430 20653.0087 14470.1799 252.1470 -203405.1299 3049.6684 0.0000 0.0000 52203.8547 -108706.3281 300.0163 -160910.1828 -108345.4297 299.6210 -64.1557 -32.5066 765703.5382 -9.1066 -9.0643 PRESSURE: 3642400 191.598 -49.9862 40.2728 -49.9866 46.2304 141.785 40.273 141.784 35.9317 GPRESSURE: 3642400 273.134 -117.292 82.9392 -97.2332 -2.47937 148.942 123.98 147.502 75.7298 PRESSAVG: 3642400 -0.598372 -13.6363 4.50999 -13.6364 -27.551 -46.6207 4.51 -46.6207 4.16342 GPRESSAVG: 3642400 0.704386 -13.2348 4.71927 -17.1853 -27.8624 -47.8303 2.64021 -45.6323 3.25456 TIMING: 3642400 CPU: 11379.6, 0.0031209/step Wall: 11379.6, 0.0031209/step, 1.17693 hours remaining, 234.460938 MB of memory in use. ENERGY: 3642400 3985.8942 20406.1748 14501.0520 238.5197 -202923.3360 2884.9043 0.0000 0.0000 52306.1772 -108600.6137 300.6043 -160906.7909 -108231.3609 300.7580 91.2534 115.4616 764877.8586 -7.9953 -7.9678 PRESSURE: 3642600 285.696 15.0016 -83.0534 15.0019 3.50655 -44.6811 -83.0532 -44.6794 -145.196 GPRESSURE: 3642600 247.557 19.2025 -102.011 -24.0705 53.5023 -140.35 1.95384 -137.099 -92.137 PRESSAVG: 3642600 19.6936 0.61134 -11.1696 0.611352 -31.7184 35.9946 -11.1696 35.9947 11.7617 GPRESSAVG: 3642600 20.0135 0.322376 -10.2764 3.10697 -32.6699 36.8024 -10.6439 37.0262 12.5637 TIMING: 3642600 CPU: 11380.3, 0.00311099/step Wall: 11380.3, 0.00311099/step, 1.17301 hours remaining, 234.460938 MB of memory in use. ENERGY: 3642600 3923.1507 20556.4391 14562.9964 250.8465 -203333.6286 2987.0747 0.0000 0.0000 52310.5390 -108742.5823 300.6294 -161053.1213 -108370.8848 300.9912 48.0021 69.6408 764469.5748 -0.0877 -0.0309 PRESSURE: 3642800 -538.136 -84.0667 -59.5515 -84.0671 -214.635 67.1937 -59.5516 67.1942 -383.322 GPRESSURE: 3642800 -441.89 -0.031962 40.2271 -27.6686 -273.878 21.1486 -105.584 133.687 -332.755 PRESSAVG: 3642800 11.9734 -36.723 9.38925 -36.723 -11.1824 -28.8721 9.38921 -28.8721 11.1634 GPRESSAVG: 3642800 13.2302 -36.9962 8.72037 -36.2639 -11.2485 -28.6236 9.67698 -29.9672 10.4581 TIMING: 3642800 CPU: 11380.9, 0.00311213/step Wall: 11380.9, 0.00311213/step, 1.17327 hours remaining, 234.460938 MB of memory in use. ENERGY: 3642800 4055.1614 20554.1001 14506.6485 232.0931 -202810.5637 2526.8837 0.0000 0.0000 52157.7919 -108777.8850 299.7515 -160935.6770 -108412.7313 300.1375 -378.6976 -349.5077 763727.9236 3.9848 4.1466 PRESSURE: 3643000 -72.9113 -196.804 141.589 -196.803 -152.618 -104.518 141.589 -104.517 253.751 GPRESSURE: 3643000 2.03943 -295.714 77.6198 -103.849 -127.298 -131.131 143.624 -75.4215 220.881 PRESSAVG: 3643000 -11.7293 -1.99309 -8.5241 -1.9931 4.81332 -3.96013 -8.52412 -3.96017 20.1771 GPRESSAVG: 3643000 -12.0702 -0.781748 -6.70227 -1.93552 5.49527 -4.37111 -8.39763 -3.5716 20.0485 TIMING: 3643000 CPU: 11381.5, 0.00312122/step Wall: 11381.5, 0.00312122/step, 1.17653 hours remaining, 234.460938 MB of memory in use. ENERGY: 3643000 4035.1061 20482.7047 14574.8012 232.7844 -203112.9206 2806.9980 0.0000 0.0000 52116.5387 -108863.9875 299.5145 -160980.5263 -108501.7008 300.1168 9.4071 31.8744 763942.4917 4.4204 4.4912 PRESSURE: 3643200 -79.2118 -183.514 30.4754 -183.513 -375.015 118.521 30.4763 118.522 -195 GPRESSURE: 3643200 -60.1377 -78.2063 46.973 -133.702 -394.317 166.709 -0.876525 74.7331 -123.789 PRESSAVG: 3643200 37.8673 -9.5511 31.9354 -9.55108 -39.5718 -25.8585 31.9354 -25.8585 11.6578 GPRESSAVG: 3643200 36.5044 -9.6709 29.3586 -9.54077 -39.2739 -26.2774 30.7075 -25.2916 12.2408 TIMING: 3643200 CPU: 11382.1, 0.00313063/step Wall: 11382.1, 0.00313063/step, 1.1799 hours remaining, 234.460938 MB of memory in use. ENERGY: 3643200 4075.0110 20674.1642 14474.4450 230.4630 -202943.2985 2865.9937 0.0000 0.0000 51758.7118 -108864.5098 297.4580 -160623.2216 -108507.7987 299.4956 -216.4088 -192.7479 764568.0761 3.3178 3.1571 PRESSURE: 3643400 -6.9481 -110.257 151.601 -110.257 -309.201 -47.566 151.601 -47.5661 -499.771 GPRESSURE: 3643400 -59.8119 -193.091 185.486 -261.743 -303.601 51.0485 73.8844 -98.8311 -371.862 PRESSAVG: 3643400 14.4057 7.32845 -10.0338 7.32839 -7.11007 41.3144 -10.0338 41.3144 -21.1496 GPRESSAVG: 3643400 14.4882 6.22916 -9.55958 9.4492 -6.9993 42.4792 -9.37887 41.8495 -21.4404 TIMING: 3643400 CPU: 11382.8, 0.00312078/step Wall: 11382.8, 0.00312078/step, 1.17601 hours remaining, 234.460938 MB of memory in use. ENERGY: 3643400 4003.6790 20672.4237 14405.0425 264.3609 -203117.7737 2659.5607 0.0000 0.0000 52348.4340 -108764.2729 300.8472 -161112.7070 -108402.9375 299.9532 -271.9736 -245.0917 764615.4714 -4.6180 -4.6505 PRESSURE: 3643600 10.1529 72.4763 16.4214 72.4757 -359.424 -163.797 16.421 -163.796 -121.153 GPRESSURE: 3643600 14.701 17.1323 57.7321 31.4278 -350.697 -68.4633 21.0494 -224.795 -70.4178 PRESSAVG: 3643600 2.80898 -20.1502 -12.9225 -20.1502 -32.5097 -10.4536 -12.9225 -10.4536 -3.48096 GPRESSAVG: 3643600 2.50541 -18.8326 -13.3104 -24.7048 -30.9172 -11.4595 -14.055 -9.27487 -4.09431 TIMING: 3643600 CPU: 11383.4, 0.00310921/step Wall: 11383.4, 0.00310921/step, 1.17148 hours remaining, 234.460938 MB of memory in use. ENERGY: 3643600 3974.8549 20526.5727 14410.8400 242.6710 -202688.9551 2537.6411 0.0000 0.0000 52248.9733 -108747.4021 300.2756 -160996.3754 -108385.3525 300.0635 -156.8078 -135.4714 765100.8354 -11.0606 -10.8354 PRESSURE: 3643800 -88.2062 308.681 -95.1036 308.681 -29.8536 -109.738 -95.1041 -109.737 -608.866 GPRESSURE: 3643800 22.0002 336.533 -124.459 117.697 -105.616 -113.527 -0.613139 -140.654 -576.267 PRESSAVG: 3643800 44.5976 -27.7043 -46.6744 -27.7044 -26.2884 -17.41 -46.6745 -17.4101 -38.2534 GPRESSAVG: 3643800 46.0526 -26.8046 -46.5768 -26.4344 -28.084 -17.1119 -44.5966 -19.6431 -37.9907 TIMING: 3643800 CPU: 11384, 0.00312039/step Wall: 11384, 0.00312039/step, 1.17552 hours remaining, 234.460938 MB of memory in use. ENERGY: 3643800 4031.8103 20573.7018 14473.3025 274.9347 -202753.2284 2512.3770 0.0000 0.0000 52041.2495 -108845.8526 299.0818 -160887.1021 -108497.0958 299.9176 -242.3087 -219.9608 762973.8294 -6.6481 -6.6740 PRESSURE: 3644000 -160.8 174.06 -76.2716 174.06 -195.203 62.4769 -76.2718 62.4762 -488.942 GPRESSURE: 3644000 -160.822 145.747 -107.163 104.038 -118.939 94.5186 12.7304 -43.4894 -480.539 PRESSAVG: 3644000 17.1276 9.97279 -31.6289 9.97277 -38.6758 -9.53444 -31.629 -9.53444 22.3627 GPRESSAVG: 3644000 16.8823 9.35424 -30.3392 8.26688 -38.5616 -9.99537 -33.2546 -8.28108 22.5088 TIMING: 3644000 CPU: 11384.6, 0.00311351/step Wall: 11384.6, 0.00311351/step, 1.17276 hours remaining, 234.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3644000 4017.7058 20576.8646 14513.9045 250.6756 -203102.7665 2701.1549 0.0000 0.0000 52202.0752 -108840.3860 300.0060 -161042.4612 -108490.0201 299.5279 -281.6485 -253.4335 764191.6123 0.2715 0.2765 PRESSURE: 3644200 -59.0248 134.989 -74.3297 134.989 -46.6561 225.864 -74.3296 225.865 293.731 GPRESSURE: 3644200 -76.0721 122.865 -77.8193 137.735 15.051 247.059 -5.73215 137.635 362.477 PRESSAVG: 3644200 14.3142 9.5197 9.20309 9.51974 -35.82 -4.84716 9.20306 -4.84715 -12.1612 GPRESSAVG: 3644200 14.936 6.82591 8.1778 11.6335 -36.6517 -4.07448 12.3991 -5.1552 -11.5491 TIMING: 3644200 CPU: 11385.3, 0.00312403/step Wall: 11385.3, 0.00312403/step, 1.17654 hours remaining, 234.460938 MB of memory in use. ENERGY: 3644200 3927.1367 20480.5945 14480.5151 253.3962 -202970.7432 2747.5060 0.0000 0.0000 52085.6302 -108995.9645 299.3368 -161081.5947 -108630.2760 299.7495 62.6832 100.4855 763757.9497 -11.2223 -11.0882 LDB: ============= START OF LOAD BALANCING ============== 11397.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11397.7 LDB: =============== DONE WITH MIGRATION ================ 11397.7 LDB: ============= START OF LOAD BALANCING ============== 11398.1 LDB: Largest compute 7057 load 0.030078 is 15.4% of average load 0.195242 LDB: Average compute 0.004377 is 2.2% of average load 0.195242 LDB: TIME 11398.1 LOAD: AVG 0.195242 MAX 0.212826 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.258 MB LDB: TIME 11398.1 LOAD: AVG 0.195242 MAX 0.212826 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.258 MB LDB: TIME 11398.1 LOAD: AVG 0.195242 MAX 0.212826 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.258 MB LDB: ============== END OF LOAD BALANCING =============== 11398.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11398.1 PRESSURE: 3644400 337.964 -210.171 -169.115 -210.171 -60.1167 -225.786 -169.115 -225.786 98.004 GPRESSURE: 3644400 337.835 -191.075 -147.073 -172.196 54.1027 -361.425 -157.247 -183.35 45.4574 PRESSAVG: 3644400 -19.2672 6.56142 2.25471 6.56142 -2.2688 -64.8053 2.25466 -64.8052 4.53059 GPRESSAVG: 3644400 -19.9388 8.54978 1.67401 6.43933 -1.30504 -66.3743 0.248399 -63.534 3.833 TIMING: 3644400 CPU: 11385.9, 0.00319947/step Wall: 11385.9, 0.00319947/step, 1.20478 hours remaining, 234.257812 MB of memory in use. ENERGY: 3644400 3970.9686 20545.1812 14396.1819 238.3418 -203117.0692 2686.1912 0.0000 0.0000 52140.8950 -109139.3095 299.6544 -161280.2045 -108770.5686 299.2412 125.2839 145.7983 763082.5387 -5.6685 -5.8036 PRESSURE: 3644600 -134.457 240.663 64.3422 240.663 -67.801 214.146 64.3428 214.146 209.05 GPRESSURE: 3644600 -104.925 107.393 36.4578 321.737 -10.387 153.147 72.6682 313.597 211.058 PRESSAVG: 3644600 6.99017 25.809 11.1918 25.809 -14.8822 -57.5004 11.1919 -57.5004 11.6253 GPRESSAVG: 3644600 8.04958 25.5599 11.2605 25.8768 -15.1723 -55.3362 12.0599 -59.5031 11.7772 TIMING: 3644600 CPU: 11386.5, 0.0031293/step Wall: 11386.5, 0.0031293/step, 1.17818 hours remaining, 234.257812 MB of memory in use. ENERGY: 3644600 3964.1859 20436.8421 14470.1532 245.0785 -203117.5949 2781.4498 0.0000 0.0000 52133.0214 -109086.8639 299.6092 -161219.8853 -108709.5189 299.1919 2.2639 31.9152 763911.8661 1.2444 1.5515 PRESSURE: 3644800 -16.4246 -281.776 41.3786 -281.777 93.8155 -392.548 41.3788 -392.548 234.988 GPRESSURE: 3644800 2.28915 -129.854 31.5676 -220.975 160.677 -452.714 -29.7838 -390.223 231.496 PRESSAVG: 3644800 -16.559 6.65883 55.3433 6.65887 -9.39943 12.7846 55.3433 12.7845 -27.2142 GPRESSAVG: 3644800 -16.6109 7.17252 56.7148 6.57793 -10.0338 11.5714 53.6741 12.7729 -27.146 TIMING: 3644800 CPU: 11387.2, 0.00312787/step Wall: 11387.2, 0.00312787/step, 1.17747 hours remaining, 234.257812 MB of memory in use. ENERGY: 3644800 3916.8397 20398.4710 14524.1417 225.6539 -203618.4173 3093.7861 0.0000 0.0000 52457.5621 -109001.9628 301.4743 -161459.5249 -108628.9296 299.5752 104.1263 131.4876 761829.9993 -17.7242 -17.9302 PRESSURE: 3645000 22.5349 -350.644 109.694 -350.644 289.224 65.0483 109.695 65.0485 261.937 GPRESSURE: 3645000 89.4206 -399.152 27.6042 -317.113 323.174 134.037 20.8046 66.4253 247.342 PRESSAVG: 3645000 -2.00308 -70.6598 15.7307 -70.6598 6.74308 -57.176 15.7308 -57.176 6.48645 GPRESSAVG: 3645000 -1.88389 -71.7379 13.7463 -70.9659 7.68987 -57.5453 15.5213 -55.0234 5.84267 TIMING: 3645000 CPU: 11387.8, 0.00313939/step Wall: 11387.8, 0.00313939/step, 1.18163 hours remaining, 234.257812 MB of memory in use. ENERGY: 3645000 3961.1486 20480.9651 14461.8043 241.9390 -203283.5827 2681.7286 0.0000 0.0000 52256.6923 -109199.3048 300.3199 -161455.9971 -108830.0075 299.3634 191.2320 219.9790 762931.5714 3.7421 3.8829 PRESSURE: 3645200 -83.2619 148.021 170.825 148.02 135.827 -227.39 170.824 -227.391 213.973 GPRESSURE: 3645200 -38.417 43.3248 187.406 107.637 142.508 -210.745 112.511 -273.411 247.87 PRESSAVG: 3645200 -13.7721 -33.7048 -25.7445 -33.7048 46.336 -22.3139 -25.7444 -22.3139 0.223117 GPRESSAVG: 3645200 -15.6896 -32.902 -24.3458 -32.6065 47.357 -21.4255 -25.6587 -22.0586 1.5002 TIMING: 3645200 CPU: 11388.4, 0.00312755/step Wall: 11388.4, 0.00312755/step, 1.177 hours remaining, 234.257812 MB of memory in use. ENERGY: 3645200 4019.7915 20562.2339 14545.8916 267.5414 -203577.5989 2821.5722 0.0000 0.0000 52125.8250 -109234.7433 299.5678 -161360.5683 -108871.5818 299.3946 88.8457 117.3203 762456.4196 10.9290 11.0559 PRESSURE: 3645400 -317.998 87.3662 -56.0389 87.3669 27.6151 -211.887 -56.0394 -211.887 -22.9448 GPRESSURE: 3645400 -182.299 88.4364 -55.498 145.351 18.2174 -178.689 -49.8116 -305.021 -57.8374 PRESSAVG: 3645400 -54.9066 36.6184 -26.964 36.6185 6.22736 -109.678 -26.964 -109.678 -19.1393 GPRESSAVG: 3645400 -53.8401 37.1596 -27.0422 34.9818 5.72527 -110.581 -25.9673 -111.583 -19.6062 TIMING: 3645400 CPU: 11389, 0.00311551/step Wall: 11389, 0.00311551/step, 1.1723 hours remaining, 234.257812 MB of memory in use. ENERGY: 3645400 4079.7586 20409.4743 14468.9875 253.1075 -203735.7791 3133.2852 0.0000 0.0000 52360.4944 -109030.6715 300.9165 -161391.1660 -108663.5448 299.4640 -104.4424 -73.9731 763204.5227 -22.6062 -22.5737 PRESSURE: 3645600 11.9927 18.4935 115.76 18.4922 -254.411 271.919 115.76 271.918 -38.3743 GPRESSURE: 3645600 37.4969 -17.4897 79.2248 -59.9749 -217.909 190.996 46.7975 150.531 -21.5531 PRESSAVG: 3645600 71.8979 21.6717 -11.7761 21.6718 -47.4668 -50.301 -11.7762 -50.3009 -10.2061 GPRESSAVG: 3645600 72.136 20.9326 -11.862 21.5482 -47.0398 -48.4418 -9.91031 -50.3235 -10.5013 TIMING: 3645600 CPU: 11389.7, 0.00311875/step Wall: 11389.7, 0.00311875/step, 1.17334 hours remaining, 234.257812 MB of memory in use. ENERGY: 3645600 4041.9629 20731.6091 14562.4924 258.9477 -203631.9197 3138.6924 0.0000 0.0000 52083.0056 -108815.2096 299.3217 -160898.2152 -108444.4212 300.0402 -93.5977 -67.3218 763612.3029 4.7417 4.8650 PRESSURE: 3645800 -204.879 -39.727 -179.389 -39.7271 -229.523 266.131 -179.389 266.131 10.5493 GPRESSURE: 3645800 -240.183 -70.834 -198.605 66.1452 -240.659 244.756 -105.226 154.909 153.944 PRESSAVG: 3645800 21.2291 -43.6144 -37.5742 -43.6144 13.4375 -3.50436 -37.5742 -3.50441 10.134 GPRESSAVG: 3645800 21.7534 -43.4034 -36.2345 -41.35 13.6781 -4.28794 -38.4637 -2.84551 9.71943 TIMING: 3645800 CPU: 11390.3, 0.00312663/step Wall: 11390.3, 0.00312663/step, 1.17614 hours remaining, 234.257812 MB of memory in use. ENERGY: 3645800 4078.0526 20453.0067 14496.4932 262.8141 -203283.5902 2664.3080 0.0000 0.0000 52327.6494 -109001.2662 300.7277 -161328.9156 -108634.6947 299.9227 -141.2842 -108.9659 762806.0376 14.9336 15.0503 PRESSURE: 3646000 -421.119 -0.305457 10.6548 -0.304812 -31.9937 70.0848 10.6557 70.0857 -123.9 GPRESSURE: 3646000 -359.773 -95.4952 29.12 -8.48312 -49.718 -44.4374 0.543114 109.733 -91.5777 PRESSAVG: 3646000 45.0094 -22.7815 -70.3344 -22.7815 -77.8274 -15.9375 -70.3344 -15.9376 -3.93096 GPRESSAVG: 3646000 44.1345 -22.3685 -71.3816 -25.9823 -79.1764 -15.4907 -71.7076 -17.8643 -2.29884 TIMING: 3646000 CPU: 11390.9, 0.00310849/step Wall: 11390.9, 0.00310849/step, 1.16914 hours remaining, 234.257812 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: 3646000 4057.0258 20690.4712 14514.3646 243.8123 -202864.2532 2645.4123 0.0000 0.0000 51882.3856 -108830.7814 298.1688 -160713.1670 -108473.8221 299.6426 -192.3375 -167.0228 765108.6250 -12.2497 -12.4469 PRESSURE: 3646200 110.837 54.5279 -136.463 54.5276 -444.009 -75.288 -136.462 -75.2878 -125.491 GPRESSURE: 3646200 92.6374 41.3292 -80.7992 -58.4786 -395.637 -117.52 -203.136 -0.191713 -92.091 PRESSAVG: 3646200 38.3438 8.24821 7.49846 8.24822 -61.8141 -10.9962 7.49841 -10.9961 -5.73173 GPRESSAVG: 3646200 38.7719 8.54797 8.45589 6.83343 -61.6188 -11.0178 10.1573 -8.22862 -6.37886 TIMING: 3646200 CPU: 11391.5, 0.00312334/step Wall: 11391.5, 0.00312334/step, 1.17455 hours remaining, 234.257812 MB of memory in use. ENERGY: 3646200 4028.9825 20696.6331 14462.1235 265.1995 -203082.8186 2729.7110 0.0000 0.0000 52092.0521 -108808.1169 299.3737 -160900.1690 -108437.0812 299.8629 -152.8875 -131.6969 765070.7137 -9.7340 -9.7419 PRESSURE: 3646400 68.4016 62.7493 194.831 62.7491 14.1155 187.441 194.83 187.441 -412.491 GPRESSURE: 3646400 83.5452 79.0436 188.591 70.5249 41.6782 171.627 115.759 90.7775 -376.156 PRESSAVG: 3646400 -2.05434 27.1932 -20.6379 27.1932 39.2512 5.70724 -20.6379 5.70718 -4.73778 GPRESSAVG: 3646400 -2.62882 26.4867 -20.6688 28.697 39.2305 4.66226 -24.081 4.02661 -4.5674 TIMING: 3646400 CPU: 11392.1, 0.00312638/step Wall: 11392.1, 0.00312638/step, 1.17552 hours remaining, 234.257812 MB of memory in use. ENERGY: 3646400 4023.4528 20638.3694 14466.5762 267.8599 -203231.5458 2657.7805 0.0000 0.0000 52450.4128 -108727.0943 301.4332 -161177.5070 -108360.6754 299.8409 -109.9912 -83.6443 763508.5224 10.8197 10.6781 PRESSURE: 3646600 -459.379 -52.0959 111.752 -52.0961 270.033 -86.5626 111.752 -86.5632 228.795 GPRESSURE: 3646600 -350.566 76.2409 9.41069 -29.8489 274.213 -94.0497 28.6149 -70.3823 210.412 PRESSAVG: 3646600 -10.3615 -27.9915 48.3016 -27.9915 -36.8114 -30.7284 48.3015 -30.7283 -19.8547 GPRESSAVG: 3646600 -8.65553 -27.7557 48.0664 -27.9124 -37.9521 -29.7502 49.3404 -29.914 -20.6632 TIMING: 3646600 CPU: 11392.8, 0.00312248/step Wall: 11392.8, 0.00312248/step, 1.17388 hours remaining, 234.257812 MB of memory in use. ENERGY: 3646600 4005.0207 20723.9251 14450.4432 241.5984 -203044.4036 2823.9921 0.0000 0.0000 52041.6302 -108757.7939 299.0840 -160799.4241 -108404.6126 299.8423 13.1498 44.6861 764223.2945 -22.3425 -22.4236 PRESSURE: 3646800 30.9681 321.385 -4.83903 321.385 -112.146 -71.5842 -4.83937 -71.5851 -320.005 GPRESSURE: 3646800 37.3513 385.343 29.5851 457.57 -92.1932 -63.2761 -67.0992 -90.2292 -258.245 PRESSAVG: 3646800 16.0977 70.6073 12.656 70.6073 31.4423 -4.64425 12.656 -4.64428 17.7785 GPRESSAVG: 3646800 14.7151 71.8801 11.7315 71.5787 32.5606 -5.38014 12.2887 -5.46584 18.3696 TIMING: 3646800 CPU: 11393.4, 0.0030981/step Wall: 11393.4, 0.0030981/step, 1.16454 hours remaining, 234.257812 MB of memory in use. ENERGY: 3646800 4038.4567 20571.7626 14394.3183 257.0145 -203050.0303 2682.1760 0.0000 0.0000 52400.4381 -108705.8641 301.1460 -161106.3022 -108335.8670 300.2124 -133.7277 -104.3624 763000.5992 21.7728 21.8818 PRESSURE: 3647000 -474.943 109.495 23.4947 109.495 154.893 34.2322 23.4946 34.2331 331.148 GPRESSURE: 3647000 -319.156 -12.5799 31.0888 185.982 108.371 21.7309 -44.6 142.675 307.973 PRESSAVG: 3647000 -48.6639 24.5409 -32.9351 24.5409 17.9799 9.50541 -32.9351 9.50536 -4.10514 GPRESSAVG: 3647000 -48.0764 23.6857 -33.1201 23.9233 19.024 8.91729 -31.7869 10.134 -5.20657 TIMING: 3647000 CPU: 11394, 0.00310971/step Wall: 11394, 0.00310971/step, 1.16873 hours remaining, 234.257812 MB of memory in use. ENERGY: 3647000 3960.1589 20637.8466 14484.1873 242.9858 -202839.0952 2727.7934 0.0000 0.0000 52159.8139 -108626.3093 299.7632 -160786.1232 -108263.3043 300.3881 3.6993 32.3962 763003.0197 -11.5964 -11.4197 PRESSURE: 3647200 130.684 -68.0946 -18.8518 -68.0945 -546.592 39.705 -18.8518 39.7046 -2.69052 GPRESSURE: 3647200 194.466 -24.0382 -30.2827 -17.3758 -591.748 77.0177 36.6325 46.2561 64.111 PRESSAVG: 3647200 -26.848 38.1808 28.8659 38.1808 38.6304 42.1633 28.8659 42.1632 -0.0435446 GPRESSAVG: 3647200 -26.8017 37.6685 30.9617 39.8266 36.95 42.9861 25.9678 41.5445 0.978806 TIMING: 3647200 CPU: 11394.6, 0.00311298/step Wall: 11394.6, 0.00311298/step, 1.16979 hours remaining, 234.257812 MB of memory in use. ENERGY: 3647200 4009.9706 20530.9843 14440.9004 238.6671 -202672.6716 2479.0028 0.0000 0.0000 52428.4498 -108544.6965 301.3070 -160973.1463 -108181.1991 300.8758 -139.5328 -111.0568 762346.8578 3.9130 3.7090 PRESSURE: 3647400 -612.219 -57.5478 -42.6733 -57.5475 -274.493 -78.3637 -42.6738 -78.365 127.051 GPRESSURE: 3647400 -511.726 43.268 -25.8231 11.7091 -308.64 -78.6975 32.9489 -103.785 149.398 PRESSAVG: 3647400 12.9984 -18.9985 2.35541 -18.9985 27.7918 0.324022 2.35541 0.323941 13.7352 GPRESSAVG: 3647400 13.1032 -18.5378 0.346801 -20.3757 28.8351 0.127887 4.31362 -2.30919 12.6189 TIMING: 3647400 CPU: 11395.3, 0.0031159/step Wall: 11395.3, 0.0031159/step, 1.17071 hours remaining, 234.257812 MB of memory in use. ENERGY: 3647400 4023.7621 20399.8894 14412.7219 263.0090 -202723.6568 2575.3038 0.0000 0.0000 52403.6169 -108645.3536 301.1643 -161048.9705 -108274.3901 300.4147 -253.2202 -223.6560 764041.0887 18.1752 18.1857 PRESSURE: 3647600 230.932 198.731 125.066 198.731 23.0292 -59.4005 125.066 -59.3994 -505.96 GPRESSURE: 3647600 291.227 206.762 118.048 155.155 3.32152 -108.92 -77.9187 23.9189 -457.187 PRESSAVG: 3647600 28.3526 43.9199 -22.9312 43.9199 -22.6151 -52.4303 -22.9312 -52.4303 18.448 GPRESSAVG: 3647600 28.1207 45.0734 -23.1063 43.9494 -22.9117 -51.0324 -22.9059 -50.278 18.5051 TIMING: 3647600 CPU: 11395.9, 0.00313654/step Wall: 11395.9, 0.00313654/step, 1.17829 hours remaining, 234.257812 MB of memory in use. ENERGY: 3647600 4030.2912 20601.1137 14551.1469 240.2777 -203102.9453 2851.5699 0.0000 0.0000 52201.5207 -108627.0252 300.0029 -160828.5459 -108253.7397 300.0050 -83.9996 -54.2130 762147.7989 8.0618 7.9047 PRESSURE: 3647800 257.792 24.7564 346.076 24.7556 344.211 101.4 346.076 101.4 -127.349 GPRESSURE: 3647800 434.345 120.957 300.138 35.0357 270.104 122.076 286.957 160.328 -156.773 PRESSAVG: 3647800 23.2851 11.829 5.73655 11.829 -2.95028 -4.88928 5.73657 -4.88929 -33.8053 GPRESSAVG: 3647800 21.5808 12.5556 6.46943 10.2277 -2.2361 -5.26098 4.0739 -5.49683 -32.814 TIMING: 3647800 CPU: 11396.5, 0.00312994/step Wall: 11396.5, 0.00312994/step, 1.17564 hours remaining, 234.257812 MB of memory in use. ENERGY: 3647800 4027.7248 20562.3240 14385.7621 252.4333 -202948.7820 2680.4533 0.0000 0.0000 52355.2414 -108684.8432 300.8863 -161040.0846 -108334.5000 300.3277 158.2181 182.5587 761907.6456 -4.4902 -4.4898 PRESSURE: 3648000 -165.044 53.2286 -130.052 53.2285 120.706 -19.3777 -130.052 -19.3772 -121.316 GPRESSURE: 3648000 -47.6482 96.9495 -0.395355 52.2028 134.069 -16.1676 -11.0136 -95.5645 -181.135 PRESSAVG: 3648000 17.8953 10.3182 4.73472 10.3182 -11.4242 10.7202 4.73466 10.7203 5.96766 GPRESSAVG: 3648000 18.3214 9.43355 4.4794 9.94109 -12.3832 10.6167 7.84351 10.179 6.10482 TIMING: 3648000 CPU: 11397.1, 0.0031398/step Wall: 11397.1, 0.0031398/step, 1.17917 hours remaining, 234.257812 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: 3648000 3991.6522 20624.1161 14453.9936 255.4921 -202771.4958 2501.9028 0.0000 0.0000 52233.3227 -108711.0163 300.1856 -160944.3390 -108360.2658 300.3983 -55.2179 -31.5716 761587.0057 4.1463 4.0143 PRESSURE: 3648200 -153.561 -156.851 -40.6578 -156.851 -0.671979 -52.4504 -40.6576 -52.4509 368.143 GPRESSURE: 3648200 6.89449 -224.347 -16.1767 -99.0385 -130.564 -74.6339 -93.7522 -68.8025 421.518 PRESSAVG: 3648200 -17.9362 -36.7382 -1.31682 -36.7382 23.9728 -11.2945 -1.31682 -11.2945 -12.4883 GPRESSAVG: 3648200 -16.8326 -39.1811 -0.5404 -32.9064 23.3917 -11.8395 -1.83811 -10.5736 -12.9289 TIMING: 3648200 CPU: 11397.8, 0.00311564/step Wall: 11397.8, 0.00311564/step, 1.16992 hours remaining, 234.257812 MB of memory in use. ENERGY: 3648200 3965.0722 20569.2709 14477.0050 250.0006 -202774.7648 2443.3993 0.0000 0.0000 52579.7105 -108490.3062 302.1763 -161070.0168 -108118.7240 300.6342 71.3033 99.2828 763921.5854 -2.1505 -2.1233 LDB: ============= START OF LOAD BALANCING ============== 11410.2 LDB: ============== END OF LOAD BALANCING =============== 11410.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11410.2 LDB: ============= START OF LOAD BALANCING ============== 11410.6 LDB: Largest compute 7065 load 0.028101 is 14.4% of average load 0.195293 LDB: Average compute 0.004370 is 2.2% of average load 0.195293 LDB: TIME 11410.6 LOAD: AVG 0.195293 MAX 0.213193 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.258 MB LDB: TIME 11410.6 LOAD: AVG 0.195293 MAX 0.213193 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.258 MB LDB: TIME 11410.6 LOAD: AVG 0.195293 MAX 0.213193 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.258 MB LDB: ============== END OF LOAD BALANCING =============== 11410.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11410.6 PRESSURE: 3648400 -31.6714 16.614 78.7579 16.6145 95.1576 188.894 78.7577 188.896 242.144 GPRESSURE: 3648400 65.7673 79.5428 23.6337 0.343597 151.623 106.401 149.087 133.713 158.543 PRESSAVG: 3648400 -32.4868 8.81552 26.4117 8.81556 31.888 -63.9407 26.4117 -63.9407 18.9889 GPRESSAVG: 3648400 -33.6611 10.7316 26.4932 7.24769 32.4401 -64.121 25.219 -61.7963 18.9275 TIMING: 3648400 CPU: 11398.4, 0.00319199/step Wall: 11398.4, 0.00319199/step, 1.19841 hours remaining, 234.257812 MB of memory in use. ENERGY: 3648400 3998.2103 20641.6173 14437.0750 220.8447 -203010.5337 2671.8959 0.0000 0.0000 52376.2662 -108664.6243 301.0071 -161040.8906 -108298.3724 300.9147 101.8766 125.3110 762969.0067 6.1300 5.9022 PRESSURE: 3648600 305.373 -58.7419 -137.752 -58.7415 376.449 -266.182 -137.752 -266.182 158.67 GPRESSURE: 3648600 438.091 -152.152 -262.561 -77.5949 371.069 -290.364 -32.3178 -223.735 105.125 PRESSAVG: 3648600 -29.1743 -40.7613 -7.79369 -40.7614 32.0721 -43.094 -7.79373 -43.094 -15.7039 GPRESSAVG: 3648600 -28.8885 -41.2651 -7.201 -41.4569 31.5306 -42.8316 -6.75601 -43.4092 -15.2364 TIMING: 3648600 CPU: 11399, 0.00311447/step Wall: 11399, 0.00311447/step, 1.16914 hours remaining, 234.257812 MB of memory in use. ENERGY: 3648600 3961.6663 20380.6664 14399.0530 219.9717 -203029.4947 2916.6249 0.0000 0.0000 52531.9098 -108619.6025 301.9016 -161151.5123 -108251.8237 300.8961 280.1640 304.7618 761998.2909 -4.2687 -4.1981 PRESSURE: 3648800 -11.6676 -16.7714 -32.2442 -16.7724 62.1808 190.886 -32.2439 190.885 -192.418 GPRESSURE: 3648800 -67.7565 -67.9038 -34.4384 107.836 65.6263 123.947 43.5953 31.4208 -53.0438 PRESSAVG: 3648800 -10.8426 -43.1048 -71.5643 -43.1048 45.2003 -16.2753 -71.5643 -16.2752 -17.6882 GPRESSAVG: 3648800 -11.1767 -44.129 -73.7153 -43.1028 46.813 -16.2096 -70.4419 -19.0222 -18.5794 TIMING: 3648800 CPU: 11399.6, 0.00311126/step Wall: 11399.6, 0.00311126/step, 1.16776 hours remaining, 234.257812 MB of memory in use. ENERGY: 3648800 3960.2908 20449.6776 14462.2260 267.6071 -202703.2449 2572.5644 0.0000 0.0000 52132.3165 -108858.5627 299.6051 -160990.8791 -108498.4757 300.5265 -47.3014 -18.3913 761918.4554 5.5565 5.6857 PRESSURE: 3649000 43.214 -265.677 -20.7391 -265.677 -105.071 -90.2815 -20.7397 -90.2805 291.959 GPRESSURE: 3649000 158.687 -303.165 -65.0478 -298.436 -134.557 -159.089 14.1872 34.5824 289.918 PRESSAVG: 3649000 -42.6709 -24.5852 -16.1985 -24.5852 37.6927 -32.7312 -16.1985 -32.7311 16.4393 GPRESSAVG: 3649000 -42.5355 -25.693 -15.898 -22.7103 36.4533 -33.5849 -17.8286 -32.3822 17.5264 TIMING: 3649000 CPU: 11400.3, 0.00310236/step Wall: 11400.3, 0.00310236/step, 1.16425 hours remaining, 234.257812 MB of memory in use. ENERGY: 3649000 3965.5806 20457.0562 14513.1109 266.3482 -203179.4730 3048.1231 0.0000 0.0000 52185.3050 -108743.9490 299.9097 -160929.2540 -108369.9576 300.3373 76.7005 104.6827 762574.0977 3.8204 3.8147 PRESSURE: 3649200 -35.4632 -225.627 21.4203 -225.627 279.443 -22.86 21.4202 -22.8603 -420.492 GPRESSURE: 3649200 -63.972 -294.293 -8.31902 -201.319 364.357 -1.90653 79.1416 -35.2116 -385.043 PRESSAVG: 3649200 11.065 10.4449 -27.1993 10.4449 32.1438 -18.4244 -27.1993 -18.4243 -14.4965 GPRESSAVG: 3649200 10.8787 13.7524 -25.6268 8.40427 32.385 -19.0234 -28.0609 -15.4948 -14.4905 TIMING: 3649200 CPU: 11400.9, 0.00310646/step Wall: 11400.9, 0.00310646/step, 1.16561 hours remaining, 234.257812 MB of memory in use. ENERGY: 3649200 3973.5113 20567.7496 14486.7626 260.6251 -202989.9859 2691.7546 0.0000 0.0000 52243.9161 -108765.6668 300.2465 -161009.5828 -108395.4293 299.9194 -58.8373 -28.2190 761525.8295 9.5708 9.5910 PRESSURE: 3649400 149.253 -155.018 -8.55401 -155.018 -292.679 182.418 -8.55403 182.42 -197.156 GPRESSURE: 3649400 -3.52956 -80.6427 61.1653 -175.912 -136.716 180.464 -71.7116 -37.7992 -115.336 PRESSAVG: 3649400 -11.5133 -5.65025 11.3041 -5.65023 29.7426 -1.01611 11.3042 -1.01605 -9.58576 GPRESSAVG: 3649400 -11.8877 -5.28836 9.91741 -4.82166 29.8602 -1.23124 10.3229 -2.35101 -9.65062 TIMING: 3649400 CPU: 11401.5, 0.00310619/step Wall: 11401.5, 0.00310619/step, 1.16534 hours remaining, 234.257812 MB of memory in use. ENERGY: 3649400 3999.2655 20514.8210 14405.1646 251.4184 -203162.6443 2719.0463 0.0000 0.0000 52369.9428 -108902.9857 300.9708 -161272.9284 -108535.4910 300.0544 -113.5274 -85.1937 760283.5118 2.8812 2.7740 PRESSURE: 3649600 -149.221 62.7943 -159.64 62.7944 -470.884 147.787 -159.64 147.785 -19.0537 GPRESSURE: 3649600 -158.555 4.70592 -99.5455 168.618 -338.698 54.8175 -90.2084 188.703 -49.5938 PRESSAVG: 3649600 29.3158 24.0672 -26.5235 24.0671 -0.666449 -22.487 -26.5235 -22.487 12.8585 GPRESSAVG: 3649600 28.8905 22.4787 -25.7949 23.9699 -1.0653 -20.7799 -23.2964 -23.6122 13.3069 TIMING: 3649600 CPU: 11402.1, 0.00311098/step Wall: 11402.1, 0.00311098/step, 1.16696 hours remaining, 234.257812 MB of memory in use. ENERGY: 3649600 3949.8181 20504.1532 14408.0623 244.7332 -202773.0146 2562.1439 0.0000 0.0000 52260.9372 -108843.1666 300.3443 -161104.1038 -108478.6535 300.3531 -213.0528 -182.2821 761985.1150 13.8360 13.7107 PRESSURE: 3649800 254.486 110.521 32.2961 110.521 98.9425 -92.0772 32.2959 -92.0765 203.925 GPRESSURE: 3649800 285.452 86.9169 45.9999 82.0047 134.212 -45.6147 45.0783 -127.365 229.27 PRESSAVG: 3649800 4.99353 35.128 0.351183 35.128 15.0016 -1.92276 0.351192 -1.92269 -0.59914 GPRESSAVG: 3649800 5.60853 34.2849 0.738013 36.0413 14.8454 -2.42115 -2.10388 -0.231032 -1.08546 TIMING: 3649800 CPU: 11402.8, 0.00310227/step Wall: 11402.8, 0.00310227/step, 1.16352 hours remaining, 234.257812 MB of memory in use. ENERGY: 3649800 3958.4319 20359.0991 14402.5779 249.7108 -202968.3835 2831.0784 0.0000 0.0000 52271.2459 -108896.2395 300.4036 -161167.4855 -108535.0495 299.8445 185.7848 216.3114 762999.3998 6.4653 6.4561 PRESSURE: 3650000 130.923 46.7016 144.315 46.702 -98.1029 64.6415 144.316 64.6423 -278.179 GPRESSURE: 3650000 49.323 1.38877 181.691 43.1804 46.8216 22.6372 80.6426 -28.6181 -248.414 PRESSAVG: 3650000 15.402 74.5452 11.9329 74.5453 35.2252 -21.3983 11.9329 -21.3984 -11.096 GPRESSAVG: 3650000 15.8518 74.6812 12.9966 74.3872 33.8522 -20.4214 11.3063 -24.546 -10.7094 TIMING: 3650000 CPU: 11403.4, 0.00310122/step Wall: 11403.4, 0.00310122/step, 1.16296 hours remaining, 234.257812 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: 3650000 4033.0545 20307.7312 14470.2792 247.3804 -202780.0523 2607.9898 0.0000 0.0000 52021.3922 -109092.2250 298.9677 -161113.6172 -108725.1468 299.8615 -81.7863 -50.7566 762192.6828 13.1770 12.9982 PRESSURE: 3650200 155.082 -305.005 161.469 -305.005 -151.374 255.787 161.47 255.786 332.978 GPRESSURE: 3650200 150.531 -231.292 108.262 -304.699 -69.9627 213.577 121.673 375.653 348.378 PRESSAVG: 3650200 -46.931 70.8855 14.1604 70.8856 30.0432 -43.7222 14.1604 -43.7222 -32.2212 GPRESSAVG: 3650200 -48.1033 69.1171 12.1352 72.2052 32.394 -45.3629 14.9364 -41.5187 -33.5413 TIMING: 3650200 CPU: 11404, 0.00310352/step Wall: 11404, 0.00310352/step, 1.16365 hours remaining, 234.257812 MB of memory in use. ENERGY: 3650200 3910.9556 20498.5531 14480.8117 244.4598 -203079.7148 2767.0831 0.0000 0.0000 51941.0689 -109236.7826 298.5060 -161177.8515 -108873.3805 299.0824 112.2287 142.9818 762045.7529 -16.3697 -16.4169 PRESSURE: 3650400 58.2428 33.5607 94.8587 33.5603 -118.159 -39.31 94.8585 -39.31 256.404 GPRESSURE: 3650400 49.9368 0.699548 63.7197 -114.962 95.7128 -80.6584 -103.764 -55.7703 145.15 PRESSAVG: 3650400 16.4347 -26.2214 36.3226 -26.2214 -12.768 -72.3333 36.3226 -72.3333 -1.19032 GPRESSAVG: 3650400 16.5472 -24.7029 36.0136 -27.5244 -13.3979 -70.8059 34.3769 -72.4279 -0.880713 TIMING: 3650400 CPU: 11404.6, 0.00309433/step Wall: 11404.6, 0.00309433/step, 1.16003 hours remaining, 234.257812 MB of memory in use. ENERGY: 3650400 3937.2776 20446.7465 14416.2319 251.0241 -203234.9374 2848.7181 0.0000 0.0000 52111.2220 -109223.7172 299.4839 -161334.9392 -108861.2598 299.2901 65.4957 96.9332 762748.5735 0.8255 0.7562 PRESSURE: 3650600 196.307 341.537 -135.085 341.537 -726.579 -14.9722 -135.085 -14.9719 -280.603 GPRESSURE: 3650600 182.431 383.532 -106.499 261.568 -607.883 25.43 -169.536 -18.3563 -316.634 PRESSAVG: 3650600 -59.279 -42.5367 -42.462 -42.5366 39.0153 -7.29587 -42.462 -7.29578 -2.2764 GPRESSAVG: 3650600 -58.8356 -40.9186 -40.5288 -44.05 38.5928 -7.93093 -42.0974 -7.72722 -1.9351 TIMING: 3650600 CPU: 11405.2, 0.00312993/step Wall: 11405.2, 0.00312993/step, 1.1732 hours remaining, 234.257812 MB of memory in use. ENERGY: 3650600 4031.9725 20689.3285 14431.6781 221.6213 -203557.3734 2907.7643 0.0000 0.0000 52062.4706 -109212.5382 299.2037 -161275.0088 -108849.4986 299.1831 -270.2913 -247.3619 765026.1002 -7.5134 -7.3926 PRESSURE: 3650800 -33.0138 -61.1928 -29.7575 -61.1933 107.565 102.036 -29.7575 102.035 442.621 GPRESSURE: 3650800 -0.71905 -55.8853 -36.2327 -3.61988 175.871 26.8394 -20.0268 -68.1457 409.055 PRESSAVG: 3650800 28.8632 27.5983 -49.805 27.5983 -18.7759 -10.6871 -49.805 -10.6872 18.1824 GPRESSAVG: 3650800 29.5224 25.133 -51.2739 29.0933 -19.567 -12.4564 -46.7687 -11.2916 17.9328 TIMING: 3650800 CPU: 11405.9, 0.00312005/step Wall: 11405.9, 0.00312005/step, 1.16932 hours remaining, 234.257812 MB of memory in use. ENERGY: 3650800 3941.4982 20713.5091 14459.8472 242.0421 -203387.9360 3043.2840 0.0000 0.0000 52024.1481 -108963.6073 298.9835 -160987.7555 -108596.2039 299.2516 172.3906 194.7357 764829.3732 9.4232 9.2961 PRESSURE: 3651000 424.713 -173.7 -34.0228 -173.7 -71.5328 74.4976 -34.0233 74.497 0.0213462 GPRESSURE: 3651000 423.262 -34.4483 -93.2547 -197.476 -27.5151 77.5203 -108.62 224.678 56.1142 PRESSAVG: 3651000 -25.2489 18.7119 33.9063 18.7119 -22.5981 -4.85318 33.9063 -4.8532 13.9548 GPRESSAVG: 3651000 -25.0975 20.4793 32.9716 18.9897 -22.8855 -2.70785 33.0221 -2.45872 14.0447 TIMING: 3651000 CPU: 11406.5, 0.00311369/step Wall: 11406.5, 0.00311369/step, 1.16677 hours remaining, 234.257812 MB of memory in use. ENERGY: 3651000 4007.6444 20544.5019 14410.0516 241.6194 -203243.7908 2919.0527 0.0000 0.0000 52205.0185 -108915.9024 300.0230 -161120.9209 -108558.1580 300.0050 117.7339 150.6205 764375.2859 -11.2974 -11.3128 PRESSURE: 3651200 -151.59 174.385 -60.387 174.385 -151.202 -71.7725 -60.3868 -71.7718 -137.737 GPRESSURE: 3651200 -52.5545 129.056 -53.1416 135.199 -213.371 -92.8962 59.176 -139.98 -85.5028 PRESSAVG: 3651200 -20.5928 6.19182 -31.7396 6.19184 65.1165 4.27835 -31.7397 4.27837 2.54814 GPRESSAVG: 3651200 -20.3841 7.76376 -30.8566 5.35901 64.4197 3.71984 -33.8028 2.99113 2.60819 TIMING: 3651200 CPU: 11407.1, 0.00312013/step Wall: 11407.1, 0.00312013/step, 1.16901 hours remaining, 234.257812 MB of memory in use. ENERGY: 3651200 4037.5278 20455.7813 14511.4652 240.0147 -203019.1144 2595.1716 0.0000 0.0000 52193.2421 -108985.9117 299.9553 -161179.1538 -108616.5977 299.9312 -146.8430 -117.1428 764105.2143 15.6906 15.5479 PRESSURE: 3651400 73.7057 163.426 50.1294 163.425 51.3108 132.501 50.1299 132.501 147.619 GPRESSURE: 3651400 51.1691 74.3914 12.5979 169.389 138.195 131.123 154.406 4.43335 155.883 PRESSAVG: 3651400 -58.8294 0.754085 -18.0947 0.754079 39.8212 -46.8617 -18.0947 -46.8616 11.7407 GPRESSAVG: 3651400 -59.6899 1.48629 -19.2047 -0.601152 41.5997 -45.7372 -15.6198 -45.6937 10.7992 TIMING: 3651400 CPU: 11407.7, 0.00311668/step Wall: 11407.7, 0.00311668/step, 1.16754 hours remaining, 234.257812 MB of memory in use. ENERGY: 3651400 3923.3630 20537.2858 14525.1243 246.3445 -203263.0979 2939.4460 0.0000 0.0000 52180.9364 -108910.5978 299.8846 -161091.5343 -108530.1703 300.0344 90.8785 115.0826 763529.4077 -2.4225 -2.4303 PRESSURE: 3651600 136.085 48.0693 146.178 48.0697 111.629 216.92 146.178 216.92 -250.508 GPRESSURE: 3651600 169.101 117.32 156.829 72.6831 182.281 149.08 142.872 185.252 -255.306 PRESSAVG: 3651600 -11.4423 3.31739 16.7343 3.31736 15.3731 -35.6137 16.7343 -35.6138 2.86714 GPRESSAVG: 3651600 -12.5146 3.16638 17.0324 3.87262 14.8745 -37.7608 14.1372 -37.5285 3.48082 TIMING: 3651600 CPU: 11408.4, 0.00312003/step Wall: 11408.4, 0.00312003/step, 1.16862 hours remaining, 234.257812 MB of memory in use. ENERGY: 3651600 3939.0105 20483.1031 14562.6507 243.5059 -203307.2891 2678.3552 0.0000 0.0000 52213.1377 -109187.5260 300.0696 -161400.6637 -108819.2775 299.8211 -0.9313 32.0255 761841.0668 2.2660 1.9469 PRESSURE: 3651800 151.41 -24.8804 79.4695 -24.8801 -39.6252 -10.1416 79.4697 -10.14 350.485 GPRESSURE: 3651800 235.651 25.5808 27.6025 -50.6375 -41.985 2.75861 24.6589 6.3305 350.117 PRESSAVG: 3651800 0.816874 -11.9397 1.94309 -11.9398 -30.1416 -50.5655 1.94309 -50.5655 18.3768 GPRESSAVG: 3651800 1.71734 -11.6896 2.27384 -12.6952 -31.4397 -49.1962 3.50051 -50.5297 19.1927 TIMING: 3651800 CPU: 11409, 0.00310029/step Wall: 11409, 0.00310029/step, 1.16106 hours remaining, 234.257812 MB of memory in use. ENERGY: 3651800 3960.5841 20421.4956 14460.6156 243.4899 -203324.2933 3078.5112 0.0000 0.0000 51939.2512 -109220.3457 298.4956 -161159.5969 -108860.2812 299.5862 154.0901 181.2612 762664.0984 -3.6493 -3.5099 PRESSURE: 3652000 28.7539 68.8218 124.224 68.8215 108.517 175.984 124.223 175.983 -93.4092 GPRESSURE: 3652000 72.9484 12.0746 64.5326 20.8835 169.549 125.131 -54.7791 141.006 -111.711 PRESSAVG: 3652000 32.0734 -16.7711 -2.3604 -16.7711 -3.46931 -41.2644 -2.36036 -41.2644 -1.12243 GPRESSAVG: 3652000 32.4198 -16.1947 -1.41235 -15.7751 -2.68085 -43.8323 -4.04104 -40.236 -1.91203 TIMING: 3652000 CPU: 11409.6, 0.00310647/step Wall: 11409.6, 0.00310647/step, 1.1632 hours remaining, 234.257812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3652000 3938.6720 20501.3985 14501.5667 250.1564 -203248.7914 2989.4280 0.0000 0.0000 52103.2940 -108964.2757 299.4383 -161067.5697 -108593.7998 299.4578 14.6205 43.5953 763649.7174 9.1605 9.2757 PRESSURE: 3652200 -36.4137 -144.858 82.7621 -144.858 -231.026 -108.135 82.7623 -108.135 -405.805 GPRESSURE: 3652200 -112.328 -70.6382 93.5081 -146.044 -98.6577 15.523 91.151 -6.15371 -372.357 PRESSAVG: 3652200 21.2863 -23.9731 -47.4719 -23.9731 -17.525 26.2575 -47.472 26.2574 18.1322 GPRESSAVG: 3652200 20.1356 -26.3498 -47.7588 -22.8421 -17.0532 27.4788 -47.4045 28.7823 18.7262 TIMING: 3652200 CPU: 11410.2, 0.00311248/step Wall: 11410.2, 0.00311248/step, 1.16528 hours remaining, 234.257812 MB of memory in use. ENERGY: 3652200 4015.6077 20640.9131 14465.6429 243.9113 -202958.5853 2790.2337 0.0000 0.0000 52023.6388 -108778.6377 298.9806 -160802.2765 -108417.8392 299.8528 -224.4149 -194.4477 764702.7636 7.2978 7.2695 LDB: ============= START OF LOAD BALANCING ============== 11422.7 LDB: ============== END OF LOAD BALANCING =============== 11422.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11422.7 LDB: ============= START OF LOAD BALANCING ============== 11423 LDB: Largest compute 7056 load 0.030359 is 15.5% of average load 0.195254 LDB: Average compute 0.004377 is 2.2% of average load 0.195254 LDB: TIME 11423 LOAD: AVG 0.195254 MAX 0.214957 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.801 MB LDB: TIME 11423 LOAD: AVG 0.195254 MAX 0.214957 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.871 MB LDB: TIME 11423 LOAD: AVG 0.195254 MAX 0.214957 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.871 MB LDB: ============== END OF LOAD BALANCING =============== 11423 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11423 PRESSURE: 3652400 -212.696 -0.537904 -54.9489 -0.53812 104.076 -23.2 -54.9482 -23.1987 -137.265 GPRESSURE: 3652400 -231.737 49.9115 -62.6518 47.6729 201.226 28.1173 -49.9397 -48.6231 -149.454 PRESSAVG: 3652400 5.41187 -19.3226 -13.1237 -19.3225 -19.5529 -3.0029 -13.1237 -3.00282 10.5589 GPRESSAVG: 3652400 5.21912 -18.4246 -14.4707 -20.3971 -19.1806 -1.80488 -11.5916 -6.45466 10.4686 TIMING: 3652400 CPU: 11410.9, 0.00318419/step Wall: 11410.9, 0.00318419/step, 1.19195 hours remaining, 233.339844 MB of memory in use. ENERGY: 3652400 3937.4188 20490.9061 14504.5669 255.4681 -203205.8287 2784.0447 0.0000 0.0000 52062.9221 -109170.5019 299.2063 -161233.4241 -108815.5511 299.3902 -81.9615 -59.9884 764082.0631 -1.1940 -1.1643 PRESSURE: 3652600 -15.9837 63.6788 149.218 63.6787 -162.418 238.685 149.217 238.686 37.3489 GPRESSURE: 3652600 45.2665 39.1488 78.4746 157.081 -215.158 167.177 247.627 245.865 111.241 PRESSAVG: 3652600 -9.99617 -21.5104 -2.42651 -21.5104 20.376 6.99755 -2.42647 6.9975 10.0206 GPRESSAVG: 3652600 -8.67884 -19.6848 -2.92143 -20.9784 20.0813 6.55716 -1.52824 8.71124 9.63573 TIMING: 3652600 CPU: 11411.5, 0.00309999/step Wall: 11411.5, 0.00309999/step, 1.16026 hours remaining, 233.542969 MB of memory in use. ENERGY: 3652600 3912.8697 20473.6443 14476.1904 258.3201 -203086.7235 2671.4716 0.0000 0.0000 51811.9973 -109482.2302 297.7643 -161294.2275 -109122.7401 298.2107 -47.0175 -19.5501 763420.7059 6.8001 7.0127 PRESSURE: 3652800 8.62862 -55.0233 247.043 -55.0232 132.589 166.635 247.043 166.634 -159.36 GPRESSURE: 3652800 42.5725 -71.402 184.922 -31.0362 109.757 140.103 244.378 133.819 -110.45 PRESSAVG: 3652800 62.5139 -9.69145 23.031 -9.69146 -66.4067 12.364 23.031 12.364 33.8242 GPRESSAVG: 3652800 62.4014 -13.0628 23.4767 -8.8504 -67.2019 12.5337 22.0478 12.5828 34.4057 TIMING: 3652800 CPU: 11412.1, 0.00309613/step Wall: 11412.1, 0.00309613/step, 1.15864 hours remaining, 233.542969 MB of memory in use. ENERGY: 3652800 4069.7982 20456.9811 14509.4162 252.2481 -203431.5990 2888.8801 0.0000 0.0000 51885.7068 -109368.5685 298.1879 -161254.2752 -109014.5642 298.7242 -6.0474 13.9596 763113.1997 9.9772 9.8684 PRESSURE: 3653000 55.4548 -53.2823 50.3641 -53.2836 -145.102 -120.694 50.3642 -120.693 -132.095 GPRESSURE: 3653000 152.718 -13.6579 80.9636 -85.7807 -126.905 -147.46 90.0378 -121.425 -166.231 PRESSAVG: 3653000 -18.5362 13.6921 29.266 13.6921 41.9358 -27.9829 29.266 -27.983 -15.2536 GPRESSAVG: 3653000 -19.1647 14.4441 30.0324 11.8569 42.9797 -28.4409 28.7135 -29.3298 -16.0419 TIMING: 3653000 CPU: 11412.7, 0.00309572/step Wall: 11412.7, 0.00309572/step, 1.15832 hours remaining, 233.542969 MB of memory in use. ENERGY: 3653000 3931.8895 20612.5568 14503.6853 249.8223 -203218.6259 2603.5794 0.0000 0.0000 52022.5672 -109294.5254 298.9744 -161317.0925 -108938.8054 298.8829 -73.9139 -46.8061 762438.7432 2.7153 2.5910 PRESSURE: 3653200 -290.378 -218.95 -271.211 -218.95 7.42063 84.8378 -271.211 84.8368 -380.523 GPRESSURE: 3653200 -185.484 -108.041 -263.599 -109.237 -14.0042 5.70807 -248.462 8.40725 -389.826 PRESSAVG: 3653200 -1.34866 50.3319 36.6758 50.3319 -24.3497 20.2026 36.6757 20.2027 -6.46547 GPRESSAVG: 3653200 -0.493514 49.3042 35.1191 50.9216 -25.1645 19.2168 38.3033 20.1269 -6.65968 TIMING: 3653200 CPU: 11413.3, 0.00308772/step Wall: 11413.3, 0.00308772/step, 1.15515 hours remaining, 233.542969 MB of memory in use. ENERGY: 3653200 4066.8011 20337.3130 14477.5011 240.6113 -203160.3056 2596.7884 0.0000 0.0000 51933.6316 -109507.6591 298.4633 -161441.2907 -109148.6532 298.8108 -221.1602 -196.4378 763440.9421 -10.7213 -10.7726 PRESSURE: 3653400 -475.662 178.091 -56.9707 178.092 -314.39 -99.5986 -56.9708 -99.5979 -263.825 GPRESSURE: 3653400 -361.09 175.408 -30.942 228.388 -252.35 -57.9073 15.8229 -17.5216 -354.484 PRESSAVG: 3653400 -23.0552 32.8989 33.3144 32.8989 29.2448 15.7266 33.3144 15.7267 -10.3868 GPRESSAVG: 3653400 -23.434 35.136 32.7194 31.5204 29.1929 16.3014 34.3153 16.6491 -9.44558 TIMING: 3653400 CPU: 11414, 0.00310167/step Wall: 11414, 0.00310167/step, 1.1602 hours remaining, 233.542969 MB of memory in use. ENERGY: 3653400 3995.5396 20417.5797 14472.8848 263.6810 -202802.6806 2263.1566 0.0000 0.0000 52016.2641 -109373.5749 298.9382 -161389.8390 -109010.2666 298.7301 -351.2924 -322.6416 763094.7828 -1.3991 -1.2289 PRESSURE: 3653600 -367.597 90.0834 58.4218 90.0836 -145.93 -73.5642 58.4214 -73.5634 88.4946 GPRESSURE: 3653600 -384.553 81.3681 14.4847 98.5849 -47.7831 -96.687 127.491 -35.9214 113.825 PRESSAVG: 3653600 -4.74396 57.7538 3.26718 57.7537 19.1652 17.1623 3.26716 17.1623 -5.40137 GPRESSAVG: 3653600 -5.74435 56.8949 3.72005 57.695 19.5752 16.9046 0.677167 17.6328 -5.22165 TIMING: 3653600 CPU: 11414.6, 0.00311057/step Wall: 11414.6, 0.00311057/step, 1.16335 hours remaining, 233.542969 MB of memory in use. ENERGY: 3653600 4043.7315 20458.1153 14469.9125 245.3211 -203174.6338 2592.4161 0.0000 0.0000 52063.4474 -109301.6899 299.2093 -161365.1373 -108936.6510 298.7570 -141.6774 -106.1701 763545.7153 3.0066 2.8697 PRESSURE: 3653800 84.4261 4.94888 185.361 4.95007 112.111 25.261 185.362 25.2614 -101.946 GPRESSURE: 3653800 44.8312 62.1281 177.376 39.2441 142.477 16.2527 93.1541 -89.9878 14.2139 PRESSAVG: 3653800 -0.288433 4.77008 21.9253 4.7702 37.0479 -22.2768 21.9252 -22.2769 -4.38769 GPRESSAVG: 3653800 0.508474 5.32885 22.4079 5.6106 36.9032 -21.4053 21.9619 -22.9223 -5.06605 TIMING: 3653800 CPU: 11415.2, 0.0031004/step Wall: 11415.2, 0.0031004/step, 1.15938 hours remaining, 233.542969 MB of memory in use. ENERGY: 3653800 3973.3991 20557.6120 14449.2357 248.0094 -202889.9314 2304.6876 0.0000 0.0000 51959.2814 -109397.7063 298.6107 -161356.9877 -109028.7173 298.6245 31.5305 67.1742 762250.8006 10.7906 10.7819 PRESSURE: 3654000 200.402 211.86 31.0664 211.861 -46.2975 140.733 31.0671 140.734 -20.9304 GPRESSURE: 3654000 197.326 131.156 -28.9942 161.391 22.7506 194.788 9.4789 237.458 19.6347 PRESSAVG: 3654000 -24.6698 39.7287 -32.8221 39.7286 2.56785 -24.1628 -32.8221 -24.1628 -35.4887 GPRESSAVG: 3654000 -25.9866 39.8536 -33.3318 38.7806 3.15114 -23.7573 -33.1124 -22.8342 -34.435 TIMING: 3654000 CPU: 11415.8, 0.00308668/step Wall: 11415.8, 0.00308668/step, 1.15408 hours remaining, 233.542969 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: 3654000 4009.2873 20344.4623 14489.4287 241.8479 -203443.5457 2881.9339 0.0000 0.0000 51608.3345 -109868.2512 296.5938 -161476.5857 -109513.2778 298.1512 44.3915 79.9036 762037.8129 -19.1969 -19.0902 PRESSURE: 3654200 -129.399 -57.4489 6.5029 -57.449 25.128 0.109253 6.50344 0.108359 44.165 GPRESSURE: 3654200 -38.2357 -96.639 -85.8796 -16.6038 3.4119 132.24 42.3878 24.0973 45.7854 PRESSAVG: 3654200 -0.0884527 44.3652 3.94229 44.3651 -20.8781 -35.9373 3.94233 -35.9373 -3.01314 GPRESSAVG: 3654200 1.76289 44.2854 6.334 46.2379 -21.8885 -34.9809 3.20535 -37.7064 -3.70853 TIMING: 3654200 CPU: 11416.4, 0.00309687/step Wall: 11416.4, 0.00309687/step, 1.15771 hours remaining, 233.542969 MB of memory in use. ENERGY: 3654200 3942.4873 20417.1344 14462.3150 245.9607 -202851.5437 2369.4242 0.0000 0.0000 51720.7170 -109693.5050 297.2397 -161414.2220 -109332.0428 297.7728 -20.0355 3.6539 762473.4882 -7.9932 -7.9447 PRESSURE: 3654400 -180.271 -91.2371 23.1409 -91.2379 -564.803 110.34 23.1405 110.339 -406.09 GPRESSURE: 3654400 -201.333 -130.399 6.50789 -56.5208 -482.139 75.7974 19.7144 151.275 -368.236 PRESSAVG: 3654400 6.92155 0.370951 31.3521 0.370939 -4.94313 -8.24263 31.352 -8.24263 -16.6812 GPRESSAVG: 3654400 7.50294 -0.0230133 30.7281 -0.801097 -5.22652 -10.5459 31.0934 -7.51539 -16.8579 TIMING: 3654400 CPU: 11417.1, 0.00310281/step Wall: 11417.1, 0.00310281/step, 1.15976 hours remaining, 233.542969 MB of memory in use. ENERGY: 3654400 3932.9426 20471.6910 14375.5080 248.4021 -203093.5943 2453.4798 0.0000 0.0000 51885.6775 -109725.8933 298.1877 -161611.5708 -109360.0984 297.6191 -383.7215 -350.5695 764677.0405 -4.9009 -4.8605 PRESSURE: 3654600 87.3649 -5.23506 -32.6831 -5.23476 -607.139 90.7033 -32.6835 90.7026 -214.928 GPRESSURE: 3654600 27.614 -45.2022 2.44719 88.2901 -457.577 94.8686 -20.964 131.195 -233.308 PRESSAVG: 3654600 14.9184 25.3602 11.1434 25.3602 -37.6231 17.8464 11.1435 17.8464 11.6096 GPRESSAVG: 3654600 13.8073 24.0819 10.1247 29.888 -36.7282 19.036 13.8367 16.8991 12.309 TIMING: 3654600 CPU: 11417.7, 0.00308341/step Wall: 11417.7, 0.00308341/step, 1.15234 hours remaining, 233.542969 MB of memory in use. ENERGY: 3654600 3995.2167 20380.1288 14438.6413 232.1025 -203343.4559 2640.8930 0.0000 0.0000 51970.8645 -109685.6092 298.6773 -161656.4737 -109316.0058 297.9535 -244.9007 -221.0904 763823.0171 -3.6984 -3.5373 PRESSURE: 3654800 72.0247 -204.199 -102.899 -204.199 111.053 -51.5096 -102.9 -51.508 7.98627 GPRESSURE: 3654800 145.522 -159.983 -170.898 -214.384 173.966 -13.5682 -28.9358 -117.049 -49.2988 PRESSAVG: 3654800 14.5976 30.777 -59.7838 30.7769 -4.18823 54.5618 -59.7838 54.5618 -10.0578 GPRESSAVG: 3654800 15.6156 33.8066 -58.8939 28.1453 -4.58123 54.1547 -62.3407 55.3509 -10.7102 TIMING: 3654800 CPU: 11418.3, 0.00309604/step Wall: 11418.3, 0.00309604/step, 1.15689 hours remaining, 233.542969 MB of memory in use. ENERGY: 3654800 4002.8468 20455.9919 14469.9231 212.6869 -203933.9020 3023.0369 0.0000 0.0000 52049.9323 -109719.4841 299.1317 -161769.4164 -109352.9130 298.3679 63.6881 90.0630 762010.9030 0.1172 0.1081 PRESSURE: 3655000 7.19226 49.1242 -29.5327 49.1249 130.165 -8.0337 -29.5332 -8.0339 -36.321 GPRESSURE: 3655000 66.7641 71.1525 -59.279 5.719 149.256 30.8816 -70.0697 19.8077 -33.7669 PRESSAVG: 3655000 -17.2867 -8.52196 -34.7682 -8.52203 4.79869 12.635 -34.7682 12.6349 12.2564 GPRESSAVG: 3655000 -17.9463 -11.4214 -37.0232 -9.27293 5.4584 12.4003 -33.4545 14.1356 12.1933 TIMING: 3655000 CPU: 11418.9, 0.00308353/step Wall: 11418.9, 0.00308353/step, 1.15204 hours remaining, 233.542969 MB of memory in use. ENERGY: 3655000 3871.9642 20525.1508 14479.4447 245.0723 -203125.6946 2490.8442 0.0000 0.0000 51907.7021 -109605.5163 298.3143 -161513.2184 -109238.4469 297.9707 33.6789 60.7511 763873.7571 -0.0772 -0.0982 PRESSURE: 3655200 -41.8161 179.387 -2.54376 179.387 313.552 199.636 -2.54415 199.636 276.807 GPRESSURE: 3655200 36.5919 141.245 8.00684 110.775 313.902 113.489 -29.9776 157.558 289.699 PRESSAVG: 3655200 33.4687 63.1263 12.8727 63.1264 -33.5082 -10.2337 12.8727 -10.2336 -14.9567 GPRESSAVG: 3655200 34.3707 65.2989 14.4481 62.4208 -34.793 -9.48149 15.3744 -10.7221 -13.7801 TIMING: 3655200 CPU: 11419.5, 0.0030998/step Wall: 11419.5, 0.0030998/step, 1.15795 hours remaining, 233.542969 MB of memory in use. ENERGY: 3655200 3932.6014 20319.4987 14421.2542 235.7097 -203246.3806 2802.2705 0.0000 0.0000 51788.5461 -109746.5001 297.6295 -161535.0462 -109377.2317 297.8372 182.8473 213.3975 762773.7188 -4.9988 -4.7341 PRESSURE: 3655400 -250.41 89.6045 -106.078 89.6047 -588.576 -114.564 -106.079 -114.564 -181.472 GPRESSURE: 3655400 -202.214 81.3305 -39.9019 245.821 -559.945 -32.7842 -22.2971 -125.784 -190.565 PRESSAVG: 3655400 54.2167 48.5993 -4.0351 48.5993 -12.7479 -37.1166 -4.0351 -37.1167 1.75925 GPRESSAVG: 3655400 54.335 48.8038 -4.56563 49.3637 -11.3269 -38.4423 -4.61663 -37.6256 0.0706924 TIMING: 3655400 CPU: 11420.1, 0.00311264/step Wall: 11420.1, 0.00311264/step, 1.16257 hours remaining, 233.542969 MB of memory in use. ENERGY: 3655400 4048.6095 20548.5560 14440.9512 224.2377 -203185.3974 2618.7167 0.0000 0.0000 51645.5846 -109658.7417 296.8079 -161304.3263 -109307.7334 297.8454 -340.1529 -317.5745 764587.8254 14.4094 14.3596 PRESSURE: 3655600 -249.869 64.2235 87.7503 64.2232 62.102 13.7273 87.75 13.726 -896.689 GPRESSURE: 3655600 -190.553 56.7038 90.0373 46.5262 26.9723 52.3572 -54.0775 25.3822 -836.62 PRESSAVG: 3655600 63.6433 54.0919 -0.496105 54.0919 -28.5274 -54.9822 -0.496141 -54.9822 -14.304 GPRESSAVG: 3655600 62.8611 53.7396 0.0829062 54.7545 -29.7687 -53.5591 -3.0519 -54.8918 -12.6136 TIMING: 3655600 CPU: 11420.8, 0.00310092/step Wall: 11420.8, 0.00310092/step, 1.15802 hours remaining, 233.542969 MB of memory in use. ENERGY: 3655600 4069.9830 20508.1199 14387.4756 236.6738 -203301.5368 2653.5203 0.0000 0.0000 51986.3913 -109459.3729 298.7665 -161445.7642 -109099.9299 298.1693 -361.4855 -333.4003 763688.1696 6.9373 6.8263 PRESSURE: 3655800 247.722 -141.704 20.3204 -141.703 347.226 107.723 20.3204 107.724 247.791 GPRESSURE: 3655800 270.334 -180.368 15.0071 33.9117 385.264 111.871 210.498 76.7135 259.072 PRESSAVG: 3655800 43.6808 -11.7145 -19.3186 -11.7145 -57.9038 27.6443 -19.3187 27.6443 1.15012 GPRESSAVG: 3655800 42.8233 -10.708 -20.3615 -12.4447 -57.6534 26.3146 -18.2705 28.3706 1.5581 TIMING: 3655800 CPU: 11421.4, 0.00309051/step Wall: 11421.4, 0.00309051/step, 1.15396 hours remaining, 233.542969 MB of memory in use. ENERGY: 3655800 4037.5971 20463.2899 14516.4209 238.2912 -203603.3285 2997.5954 0.0000 0.0000 51939.7978 -109410.3363 298.4987 -161350.1341 -109046.7713 298.7317 280.9130 304.8900 762563.2190 -4.3576 -4.4240 PRESSURE: 3656000 141.268 -108.388 9.93553 -108.389 14.9476 -25.3376 9.93565 -25.3375 -81.7635 GPRESSURE: 3656000 256.968 -57.2135 -64.974 -124.032 -28.0222 -81.8205 102.205 16.7014 -51.7771 PRESSAVG: 3656000 32.6585 15.4692 -30.1262 15.4691 -0.112363 13.3981 -30.1262 13.398 -6.22713 GPRESSAVG: 3656000 33.172 15.3067 -30.2908 16.3481 0.852332 13.9187 -28.2877 11.0671 -7.39213 TIMING: 3656000 CPU: 11422, 0.00310185/step Wall: 11422, 0.00310185/step, 1.15802 hours remaining, 233.542969 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: 3656000 3985.2851 20623.5392 14422.1386 232.7068 -203464.2057 2769.1648 0.0000 0.0000 52049.1937 -109382.1776 299.1274 -161431.3713 -109018.1376 299.1429 24.8174 59.0563 759526.6552 8.7730 8.8774 PRESSURE: 3656200 216.582 120.417 67.4592 120.416 81.2627 -85.7975 67.4599 -85.7963 -371.357 GPRESSURE: 3656200 165.127 74.519 11.1256 58.0214 143.512 -95.2763 103.365 -56.4952 -304.116 PRESSAVG: 3656200 -8.66093 -11.6372 26.9722 -11.6372 13.5258 15.9335 26.9722 15.9336 3.43257 GPRESSAVG: 3656200 -8.23516 -12.0019 29.3012 -10.2135 12.751 15.1912 24.3751 17.4363 3.00764 TIMING: 3656200 CPU: 11422.6, 0.00310533/step Wall: 11422.6, 0.00310533/step, 1.15915 hours remaining, 233.542969 MB of memory in use. ENERGY: 3656200 3957.1018 20733.5163 14434.7683 243.1581 -203388.2005 2449.2752 0.0000 0.0000 52147.3126 -109423.0682 299.6913 -161570.3808 -109065.0616 299.0064 -24.5043 1.5079 760770.2548 2.7658 2.5078 LDB: ============= START OF LOAD BALANCING ============== 11435.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11435.1 LDB: =============== DONE WITH MIGRATION ================ 11435.1 LDB: ============= START OF LOAD BALANCING ============== 11435.4 LDB: Largest compute 7007 load 0.028233 is 14.5% of average load 0.195155 LDB: Average compute 0.004403 is 2.3% of average load 0.195155 LDB: TIME 11435.4 LOAD: AVG 0.195155 MAX 0.213223 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.246 MB LDB: TIME 11435.4 LOAD: AVG 0.195155 MAX 0.213223 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.285 MB LDB: TIME 11435.4 LOAD: AVG 0.195155 MAX 0.213223 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.285 MB LDB: ============== END OF LOAD BALANCING =============== 11435.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11435.4 PRESSURE: 3656400 98.9168 -11.4013 -23.4695 -11.4009 195.448 -113.543 -23.4697 -113.543 200.661 GPRESSURE: 3656400 208.385 -51.3846 -52.9855 -34.4045 211.895 -153.699 -127.786 -16.571 164.982 PRESSAVG: 3656400 43.7719 -4.15299 -6.70813 -4.15294 -34.4384 -8.8526 -6.70814 -8.85254 -21.815 GPRESSAVG: 3656400 43.3996 -4.10043 -7.58396 -6.96368 -34.4808 -8.56381 -4.97217 -6.70059 -21.3059 TIMING: 3656400 CPU: 11423.3, 0.00318116/step Wall: 11423.3, 0.00318116/step, 1.18728 hours remaining, 236.296875 MB of memory in use. ENERGY: 3656400 4014.1411 20340.6348 14436.4934 265.9866 -203637.7921 2818.3372 0.0000 0.0000 52242.8426 -109519.3564 300.2403 -161762.1989 -109155.6409 298.8218 165.0088 195.0871 760815.7441 -4.1605 -4.1290 PRESSURE: 3656600 -257.277 -24.2745 194.323 -24.2739 136.889 144.92 194.324 144.919 236.418 GPRESSURE: 3656600 -226.16 -49.471 293.991 12.4469 215.131 129.682 134.028 122.846 215.136 PRESSAVG: 3656600 55.8371 -7.63884 -66.2292 -7.63884 -39.7385 64.769 -66.2292 64.769 10.2151 GPRESSAVG: 3656600 57.1263 -8.09567 -66.498 -8.00578 -39.4797 64.9912 -69.006 62.1631 9.3926 TIMING: 3656600 CPU: 11423.9, 0.00309769/step Wall: 11423.9, 0.00309769/step, 1.15595 hours remaining, 236.500000 MB of memory in use. ENERGY: 3656600 4018.5647 20526.5801 14408.4584 241.3888 -203480.6558 2933.3031 0.0000 0.0000 51882.6802 -109469.6805 298.1705 -161352.3607 -109107.7671 298.7380 38.6766 68.0357 763204.3069 8.7712 9.0131 PRESSURE: 3656800 -175.421 184.099 -71.9256 184.099 -249.886 45.1671 -71.9255 45.1665 81.2358 GPRESSURE: 3656800 -147.204 178.624 -115.796 168.517 -186.397 107.746 -144.616 61.0512 57.0734 PRESSAVG: 3656800 63.1532 -5.4127 -24.1019 -5.41269 -36.5107 -13.3572 -24.1019 -13.3572 -15.9506 GPRESSAVG: 3656800 61.0772 -6.07995 -24.6147 -4.32132 -36.29 -12.2944 -21.5063 -14.7527 -14.4096 TIMING: 3656800 CPU: 11424.5, 0.00309757/step Wall: 11424.5, 0.00309757/step, 1.15574 hours remaining, 236.500000 MB of memory in use. ENERGY: 3656800 4036.8103 20481.3222 14503.1975 231.4109 -203276.7840 2806.3917 0.0000 0.0000 51965.9281 -109251.7234 298.6489 -161217.6515 -108885.2427 299.2840 -114.6906 -92.1760 764482.3166 3.5640 3.4592 PRESSURE: 3657000 85.2177 -292.061 46.588 -292.06 37.6222 -93.6854 46.5879 -93.6859 -198.841 GPRESSURE: 3657000 128.249 -211.363 41.1582 -163.699 61.8998 -90.2493 -32.8095 -31.9232 -180.239 PRESSAVG: 3657000 47.5124 -22.5225 -44.2524 -22.5225 -51.5702 1.03378 -44.2524 1.03371 -8.93718 GPRESSAVG: 3657000 47.5244 -21.2731 -43.3501 -20.5469 -51.2018 -0.251477 -45.9725 2.28499 -9.26324 TIMING: 3657000 CPU: 11425.1, 0.00310288/step Wall: 11425.1, 0.00310288/step, 1.15755 hours remaining, 236.500000 MB of memory in use. ENERGY: 3657000 3992.6969 20636.6960 14472.4883 245.7633 -203496.3856 2786.1785 0.0000 0.0000 52089.3907 -109273.1718 299.3584 -161362.5626 -108907.7171 299.4663 -25.3336 3.3032 763956.4936 -4.3317 -4.3135 PRESSURE: 3657200 -127.099 -98.5971 37.3804 -98.5967 -48.1249 -21.3733 37.3798 -21.3739 281.343 GPRESSURE: 3657200 -67.0774 -13.317 65.7622 -78.3099 46.8578 48.3797 103.108 -86.7767 225.986 PRESSAVG: 3657200 49.9177 -16.0642 35.0512 -16.0642 -29.8511 45.9376 35.0513 45.9377 -9.195 GPRESSAVG: 3657200 50.5987 -16.0922 34.1156 -18.4381 -29.2953 46.6328 36.451 45.6559 -10.125 TIMING: 3657200 CPU: 11425.7, 0.00308706/step Wall: 11425.7, 0.00308706/step, 1.15147 hours remaining, 236.500000 MB of memory in use. ENERGY: 3657200 4035.9716 20568.8483 14547.4376 226.0333 -203401.4902 2784.4192 0.0000 0.0000 52017.3881 -109221.3921 298.9446 -161238.7802 -108856.3710 299.0768 35.3732 68.5889 762789.3877 3.6239 3.7261 PRESSURE: 3657400 -236.986 154.848 184.157 154.849 -163.555 -312.309 184.157 -312.309 -494.633 GPRESSURE: 3657400 -174.917 43.1955 145.299 258.847 -162.123 -320.819 350.044 -203.872 -493.342 PRESSAVG: 3657400 -0.183406 17.2724 -43.6697 17.2725 22.5115 21.5541 -43.6698 21.5541 3.88212 GPRESSAVG: 3657400 0.0435552 16.2358 -42.7368 18.7106 20.643 21.0394 -44.3526 23.8669 5.47813 TIMING: 3657400 CPU: 11426.4, 0.00309135/step Wall: 11426.4, 0.00309135/step, 1.1529 hours remaining, 236.500000 MB of memory in use. ENERGY: 3657400 4072.5118 20681.3498 14480.6703 259.6063 -203003.5036 2521.1446 0.0000 0.0000 52112.6285 -108875.5923 299.4920 -160988.2208 -108514.0291 299.6646 -298.3916 -276.7941 762954.3059 8.7367 8.7215 PRESSURE: 3657600 77.2712 -49.4148 -93.4774 -49.4153 324.508 -90.9211 -93.4757 -90.9222 -151.305 GPRESSURE: 3657600 149.634 -35.5632 0.194964 -24.5035 210.411 -108.024 -176.415 5.59539 -41.291 PRESSAVG: 3657600 -43.5269 10.4757 12.0179 10.4758 21.9776 -46.551 12.0179 -46.551 -1.49831 GPRESSAVG: 3657600 -42.2386 13.1716 12.8472 7.12158 21.3347 -47.122 12.0451 -46.1847 -2.5121 TIMING: 3657600 CPU: 11427, 0.00310188/step Wall: 11427, 0.00310188/step, 1.15666 hours remaining, 236.500000 MB of memory in use. ENERGY: 3657600 4025.1718 20696.8412 14456.4652 245.1473 -203177.9639 2770.1743 0.0000 0.0000 51785.9388 -109198.2253 297.6145 -160984.1641 -108836.0260 300.0049 83.4915 106.2511 762714.0222 -7.6825 -7.8053 PRESSURE: 3657800 -344.37 -61.246 55.7402 -61.2468 -361.168 24.4448 55.7402 24.4442 -148.669 GPRESSURE: 3657800 -376.618 -43.0558 49.5866 -46.1679 -195.334 -33.1866 8.96862 -48.3024 -190.695 PRESSAVG: 3657800 5.95194 -6.38964 -9.7769 -6.38969 34.3652 -58.5274 -9.77688 -58.5273 23.8447 GPRESSAVG: 3657800 3.56166 -8.01867 -11.9409 -5.04717 36.0302 -57.5799 -9.28855 -59.7764 24.0714 TIMING: 3657800 CPU: 11427.6, 0.00309368/step Wall: 11427.6, 0.00309368/step, 1.15343 hours remaining, 236.500000 MB of memory in use. ENERGY: 3657800 4034.5061 20526.4776 14498.5798 237.7804 -203467.6760 2755.8629 0.0000 0.0000 52028.9500 -109385.5192 299.0111 -161414.4692 -109028.1554 299.2726 -284.7357 -254.2157 763433.2167 21.3873 21.2211 PRESSURE: 3658000 -341.886 94.9068 -20.4216 94.9069 -305.108 -221.639 -20.4221 -221.64 -127.865 GPRESSURE: 3658000 -227.23 12.8007 -13.643 110.841 -307.472 -189.881 51.8074 -42.0926 -143.572 PRESSAVG: 3658000 -10.2623 1.43165 -8.82929 1.43164 5.62286 -92.5221 -8.8292 -92.5222 20.8012 GPRESSAVG: 3658000 -8.8337 2.01613 -9.50153 2.20446 4.17131 -93.1325 -8.31304 -92.1474 21.3835 TIMING: 3658000 CPU: 11428.2, 0.00311615/step Wall: 11428.2, 0.00311615/step, 1.16163 hours remaining, 236.500000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3658000 4075.3169 20627.6917 14489.9220 239.5026 -203590.0968 2791.1459 0.0000 0.0000 51980.6635 -109385.8542 298.7336 -161366.5176 -109032.3223 298.9317 -258.2865 -226.0915 764510.1709 5.3873 5.5737 PRESSURE: 3658200 -126.057 -63.3208 -245.893 -63.3203 -344.71 -127.521 -245.893 -127.523 307.265 GPRESSURE: 3658200 -83.2077 -48.4519 -211.636 -31.3304 -327.916 -204.815 -89.335 6.1436 338.468 PRESSAVG: 3658200 2.4392 13.793 -25.2814 13.793 -7.1085 1.21181 -25.2814 1.2118 -5.26097 GPRESSAVG: 3658200 1.94979 12.3485 -24.1672 13.2324 -5.25795 2.06723 -25.4804 0.380127 -6.88801 TIMING: 3658200 CPU: 11428.8, 0.00311225/step Wall: 11428.8, 0.00311225/step, 1.16001 hours remaining, 236.500000 MB of memory in use. ENERGY: 3658200 3951.4494 20487.3338 14490.5392 233.6770 -203411.2588 2822.5572 0.0000 0.0000 52282.1325 -109143.5697 300.4661 -161425.7022 -108775.8618 299.3642 -54.5008 -24.2188 762670.9267 -3.3101 -3.3987 PRESSURE: 3658400 -26.2973 78.8056 149.105 78.8061 359.277 -228.723 149.106 -228.723 -13.7068 GPRESSURE: 3658400 40.2021 31.721 158.768 64.8468 372.946 -152.39 197.141 -162.298 -27.5581 PRESSAVG: 3658400 35.5752 3.30711 59.4245 3.30702 -14.1639 -1.9943 59.4245 -1.99434 5.01622 GPRESSAVG: 3658400 35.436 4.94543 59.3916 3.07784 -14.6447 -2.00805 58.8072 -2.73006 5.59642 TIMING: 3658400 CPU: 11429.5, 0.0031289/step Wall: 11429.5, 0.0031289/step, 1.16604 hours remaining, 236.500000 MB of memory in use. ENERGY: 3658400 3950.9910 20604.7192 14506.3353 233.3495 -203802.7793 3137.1747 0.0000 0.0000 52189.1090 -109181.1006 299.9315 -161370.2095 -108824.7493 299.7173 106.4244 128.5300 762431.2176 8.8092 8.7959 PRESSURE: 3658600 -285.487 -173.558 -66.7696 -173.557 -71.6737 -100.948 -66.769 -100.948 309.124 GPRESSURE: 3658600 -215.363 -56.0315 -9.74935 -117.266 -38.7949 -214.204 -4.61289 -148.975 299.73 PRESSAVG: 3658600 39.5148 -2.54861 56.6987 -2.54859 -7.08389 6.93207 56.6987 6.93208 6.65893 GPRESSAVG: 3658600 39.0419 -2.18443 56.6686 -2.04546 -6.52157 6.10575 55.4938 8.97774 7.17392 TIMING: 3658600 CPU: 11430.1, 0.00310486/step Wall: 11430.1, 0.00310486/step, 1.1569 hours remaining, 236.500000 MB of memory in use. ENERGY: 3658600 3954.9832 20441.2908 14441.0548 250.8163 -203491.9715 2777.7233 0.0000 0.0000 52310.0362 -109316.0668 300.6265 -161626.1030 -108946.0478 299.5268 -16.0119 15.1906 762647.0485 13.0299 13.2314 PRESSURE: 3658800 69.7072 216.023 235.621 216.024 -61.9633 129.415 235.621 129.416 253.563 GPRESSURE: 3658800 165.843 168.074 189.177 206.979 -0.811982 107.732 124.434 109.735 189.954 PRESSAVG: 3658800 -11.5667 -7.90905 37.7515 -7.90905 7.86924 -26.7234 37.7516 -26.7235 -4.71761 GPRESSAVG: 3658800 -10.3696 -9.81928 36.5868 -7.02413 6.72208 -26.5498 36.9306 -28.5953 -4.27612 TIMING: 3658800 CPU: 11430.7, 0.00310066/step Wall: 11430.7, 0.00310066/step, 1.15517 hours remaining, 236.500000 MB of memory in use. ENERGY: 3658800 3959.9103 20513.9542 14594.1329 246.6736 -203119.7495 2668.6979 0.0000 0.0000 51940.4483 -109195.9323 298.5025 -161136.3805 -108841.4408 299.4260 87.1024 118.3284 763062.3993 -2.8050 -2.6412 PRESSURE: 3659000 -217.435 -43.8357 41.7292 -43.8359 150.948 -170.596 41.729 -170.597 -622.119 GPRESSURE: 3659000 -234.803 -17.9833 53.0114 -12.6894 145.825 -238.112 -13.2171 -210.122 -518.36 PRESSAVG: 3659000 -53.7704 -19.2652 17.0533 -19.2652 46.4037 -33.6423 17.0534 -33.6424 21.9075 GPRESSAVG: 3659000 -52.4801 -18.6832 17.2317 -19.8712 45.5661 -33.0393 18.0098 -34.2102 21.4982 TIMING: 3659000 CPU: 11431.3, 0.00309353/step Wall: 11431.3, 0.00309353/step, 1.15234 hours remaining, 236.500000 MB of memory in use. ENERGY: 3659000 3997.0989 20609.1340 14517.4389 250.4999 -203352.4221 2761.4567 0.0000 0.0000 51977.2315 -109239.5622 298.7139 -161216.7937 -108879.8884 299.1458 -229.5354 -202.4461 763713.1767 4.8469 4.8614 PRESSURE: 3659200 155.623 157.694 146.141 157.693 286.443 -55.8968 146.141 -55.8968 502.005 GPRESSURE: 3659200 159.578 189.856 156.282 173.064 308.321 -111.11 195.282 7.42387 572.099 PRESSAVG: 3659200 1.1891 12.8466 32.1622 12.8465 -17.2462 -41.5422 32.1622 -41.5421 21.9923 GPRESSAVG: 3659200 -0.465794 12.4463 31.2478 14.8695 -16.1551 -44.3636 34.628 -38.7511 22.8905 TIMING: 3659200 CPU: 11431.9, 0.00308885/step Wall: 11431.9, 0.00308885/step, 1.15042 hours remaining, 236.500000 MB of memory in use. ENERGY: 3659200 3937.8277 20545.9637 14468.9754 251.5482 -203800.4733 3048.8438 0.0000 0.0000 52257.7584 -109289.5561 300.3261 -161547.3144 -108926.6929 299.4083 314.6905 346.6657 763145.3142 1.9784 2.0899 PRESSURE: 3659400 -130.35 -172.594 264.51 -172.594 -279.641 -45.6935 264.509 -45.6927 -74.7815 GPRESSURE: 3659400 -140.168 -138.531 308.334 -121 -245.171 -110.752 163.032 -11.3121 -16.0543 PRESSAVG: 3659400 -17.3794 19.4469 21.8786 19.4469 30.0357 -41.5566 21.8786 -41.5566 -2.53959 GPRESSAVG: 3659400 -18.5036 18.4862 23.3434 18.2978 31.0327 -38.3502 19.6681 -42.5824 -2.2655 TIMING: 3659400 CPU: 11432.6, 0.00309816/step Wall: 11432.6, 0.00309816/step, 1.15372 hours remaining, 236.500000 MB of memory in use. ENERGY: 3659400 4097.9943 20460.8186 14394.4482 256.0495 -203699.8792 2868.8347 0.0000 0.0000 52124.5284 -109497.2055 299.5604 -161621.7339 -109135.6944 299.3027 -161.5909 -133.7978 762803.6620 3.3722 3.4212 PRESSURE: 3659600 -100.972 3.66408 229.184 3.66456 31.7659 -166.405 229.184 -166.404 -158.881 GPRESSURE: 3659600 -75.1399 -22.7854 219.407 -72.9475 93.8034 -78.1391 111.19 -124.276 -153.223 PRESSAVG: 3659600 -24.2436 -36.9094 7.72673 -36.9094 8.5254 -44.9021 7.72681 -44.902 -3.22011 GPRESSAVG: 3659600 -23.4671 -36.3074 6.92309 -37.8076 8.26067 -44.6671 7.00873 -45.6431 -3.11817 TIMING: 3659600 CPU: 11433.2, 0.00312804/step Wall: 11433.2, 0.00312804/step, 1.16467 hours remaining, 236.500000 MB of memory in use. ENERGY: 3659600 4071.8978 20679.9375 14442.2426 268.7535 -203344.3440 2662.3174 0.0000 0.0000 52098.5291 -109120.6662 299.4110 -161219.1953 -108759.6978 299.5341 -76.0290 -44.8531 763409.1576 -6.3128 -6.1082 PRESSURE: 3659800 32.6698 -197.362 -42.6244 -197.362 -162.754 -101.255 -42.6249 -101.254 -381.597 GPRESSURE: 3659800 134.086 -127.129 -121.152 -219.196 -163.168 -121.068 -33.2122 16.4647 -395.391 PRESSAVG: 3659800 -33.8771 -16.3901 17.5039 -16.3901 35.1421 1.79658 17.5038 1.79669 -17.7964 GPRESSAVG: 3659800 -33.4734 -16.9769 18.385 -15.2499 34.0057 -0.0350401 18.8355 2.93592 -17.3767 TIMING: 3659800 CPU: 11433.8, 0.00312125/step Wall: 11433.8, 0.00312125/step, 1.16197 hours remaining, 236.500000 MB of memory in use. ENERGY: 3659800 4012.9503 20619.1816 14532.1876 243.7074 -203044.1372 2726.1448 0.0000 0.0000 51758.6964 -109151.2691 297.4579 -160909.9655 -108797.1483 299.2586 -170.5605 -141.4910 765643.5656 -5.5105 -5.6148 PRESSURE: 3660000 -349.618 -145.388 -128.198 -145.389 -22.7101 -42.8472 -128.197 -42.8472 -61.4305 GPRESSURE: 3660000 -252.729 -167.999 -29.8962 -159.035 -27.4989 -29.2432 -44.6929 100.928 -60.956 PRESSAVG: 3660000 19.8658 -63.927 0.0444694 -63.927 -4.4209 -84.3227 0.0444278 -84.3227 14.7695 GPRESSAVG: 3660000 20.6846 -64.7206 -0.947785 -63.3692 -4.01826 -82.6453 -1.15453 -83.0668 13.4799 TIMING: 3660000 CPU: 11434.4, 0.00311121/step Wall: 11434.4, 0.00311121/step, 1.15806 hours remaining, 236.500000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3660000 3953.7727 20444.4733 14501.7044 221.2687 -202807.4516 2383.5549 0.0000 0.0000 52124.9666 -109177.7110 299.5629 -161302.6776 -108809.0500 299.3862 -144.5861 -113.7280 762979.5031 10.0715 10.0488 PRESSURE: 3660200 -149.997 -56.5822 -29.0563 -56.5827 -128.241 58.6855 -29.0559 58.6864 203.525 GPRESSURE: 3660200 -82.4959 -26.9242 -55.3192 -64.3348 -137.78 122.112 -41.3385 -50.408 236.402 PRESSAVG: 3660200 -10.4374 -40.8949 -7.66015 -40.8948 5.08022 -37.706 -7.66017 -37.7061 4.47254 GPRESSAVG: 3660200 -11.0745 -40.9009 -7.99392 -41.341 4.51277 -36.5222 -8.33592 -40.2763 5.43152 TIMING: 3660200 CPU: 11435.1, 0.00310026/step Wall: 11435.1, 0.00310026/step, 1.15381 hours remaining, 236.500000 MB of memory in use. ENERGY: 3660200 3953.2676 20514.3706 14506.5016 244.4212 -203157.8832 2632.7788 0.0000 0.0000 52119.8529 -109186.6905 299.5335 -161306.5434 -108816.9168 299.0206 -24.9045 5.3754 763363.6475 -0.2949 -0.3767 LDB: ============= START OF LOAD BALANCING ============== 11447.5 LDB: ============== END OF LOAD BALANCING =============== 11447.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11447.5 LDB: ============= START OF LOAD BALANCING ============== 11447.8 LDB: Largest compute 7056 load 0.028284 is 14.5% of average load 0.195092 LDB: Average compute 0.004376 is 2.2% of average load 0.195092 LDB: TIME 11447.8 LOAD: AVG 0.195092 MAX 0.214446 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.469 MB LDB: TIME 11447.9 LOAD: AVG 0.195092 MAX 0.214446 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.469 MB LDB: TIME 11447.9 LOAD: AVG 0.195092 MAX 0.214446 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.469 MB LDB: ============== END OF LOAD BALANCING =============== 11447.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11447.9 PRESSURE: 3660400 -188.341 -94.6526 19.6643 -94.6519 -167.254 197.212 19.6647 197.211 262.35 GPRESSURE: 3660400 -189.859 -149.27 11.0755 -120.837 -47.1838 116.505 120.478 212.986 239.697 PRESSAVG: 3660400 -21.0926 -60.2485 -12.6126 -60.2485 9.63536 -86.8304 -12.6127 -86.8304 -6.34583 GPRESSAVG: 3660400 -21.1611 -60.3665 -12.5285 -58.9705 10.833 -87.2778 -10.5585 -85.0211 -7.45948 TIMING: 3660400 CPU: 11435.7, 0.00315218/step Wall: 11435.7, 0.00315218/step, 1.17296 hours remaining, 234.304688 MB of memory in use. ENERGY: 3660400 3963.7007 20472.8712 14550.4348 248.7917 -203347.0621 2770.4749 0.0000 0.0000 52138.3805 -109202.4082 299.6400 -161340.7887 -108836.7456 299.3963 -31.0815 0.8847 763080.9062 -5.9344 -5.9292 PRESSURE: 3660600 -55.194 69.7098 126.202 69.7086 -215.423 -291.925 126.201 -291.924 -177.726 GPRESSURE: 3660600 -100.433 154.797 118.109 71.6609 -147.362 -223.318 86.1906 -333.565 -107.984 PRESSAVG: 3660600 -14.9178 -2.8279 16.663 -2.82792 20.4989 -46.1847 16.663 -46.1848 -12.0852 GPRESSAVG: 3660600 -15.2758 -2.04678 16.8331 -5.21579 20.2367 -48.099 16.8068 -47.6747 -11.0566 TIMING: 3660600 CPU: 11436.3, 0.00309292/step Wall: 11436.3, 0.00309293/step, 1.15074 hours remaining, 234.304688 MB of memory in use. ENERGY: 3660600 3943.0610 20565.2786 14516.3298 251.7990 -203268.6716 2585.9432 0.0000 0.0000 52120.6132 -109285.6469 299.5379 -161406.2601 -108926.3480 298.9937 -149.4477 -118.5933 764731.3662 -2.1680 -2.0319 PRESSURE: 3660800 -41.2919 -12.4313 162.723 -12.4307 -213.083 -114.5 162.722 -114.499 -172.641 GPRESSURE: 3660800 37.8599 39.3595 243.65 -79.461 -236.543 -101.577 103.371 -54.3112 -136.093 PRESSAVG: 3660800 52.8962 -30.7808 4.59405 -30.7808 -44.1272 -30.9825 4.59403 -30.9825 14.1902 GPRESSAVG: 3660800 52.544 -30.893 5.98491 -29.4965 -42.7987 -30.5095 4.08679 -30.4855 13.2069 TIMING: 3660800 CPU: 11436.9, 0.00309548/step Wall: 11436.9, 0.00309548/step, 1.15152 hours remaining, 234.304688 MB of memory in use. ENERGY: 3660800 3951.3126 20557.2190 14560.0754 256.8167 -203348.3922 2805.0744 0.0000 0.0000 51895.9960 -109321.8980 298.2470 -161217.8940 -108955.3363 299.1765 -142.3385 -111.5921 764571.0981 7.6531 7.6508 PRESSURE: 3661000 -147.264 80.381 -71.6203 80.3805 -410.345 283.758 -71.6201 283.758 -260.415 GPRESSURE: 3661000 -127.311 215.018 -33.5239 92.1263 -384.649 185.199 -132.82 168 -223.61 PRESSAVG: 3661000 39.0815 -24.9018 6.07666 -24.9019 -51.4825 -20.9709 6.07657 -20.9708 -14.959 GPRESSAVG: 3661000 39.1541 -24.0651 4.53155 -26.0956 -52.2169 -20.6444 4.81301 -21.2281 -14.5365 TIMING: 3661000 CPU: 11437.6, 0.00310612/step Wall: 11437.6, 0.00310612/step, 1.1553 hours remaining, 234.304688 MB of memory in use. ENERGY: 3661000 3968.8233 20577.8868 14522.2936 226.3774 -203208.4490 2631.4751 0.0000 0.0000 52096.0375 -109185.5553 299.3966 -161281.5928 -108821.9564 299.3153 -272.6745 -245.1900 764173.1047 -9.1200 -9.1998 PRESSURE: 3661200 215.774 -109.276 -68.5202 -109.276 -104.907 -47.0253 -68.5204 -47.0243 -186.808 GPRESSURE: 3661200 205.012 -90.9355 -172.759 -132.844 -81.7869 -95.7889 -74.5109 5.3727 -127.23 PRESSAVG: 3661200 -19.5349 -42.7309 -5.47464 -42.731 29.4906 -70.4958 -5.47465 -70.4957 10.3319 GPRESSAVG: 3661200 -18.1847 -44.9916 -5.22726 -41.3634 29.5512 -70.9416 -4.73816 -70.7654 8.6913 TIMING: 3661200 CPU: 11438.2, 0.00310092/step Wall: 11438.2, 0.00310092/step, 1.1532 hours remaining, 234.304688 MB of memory in use. ENERGY: 3661200 4017.3982 20440.8718 14468.3672 234.0423 -203122.7667 2813.7743 0.0000 0.0000 52046.5288 -109101.7842 299.1121 -161148.3130 -108734.3967 299.5538 -25.3138 -1.3347 764161.5815 6.7626 6.6859 PRESSURE: 3661400 -159.927 106.954 -173.86 106.955 -402.708 -308.496 -173.859 -308.497 -39.3923 GPRESSURE: 3661400 -102.81 129.718 -189.661 124.554 -291.057 -252.562 -110.919 -172.227 -93.5266 PRESSAVG: 3661400 48.4542 -39.617 -28.0139 -39.617 1.18394 -30.1491 -28.0139 -30.1491 26.3302 GPRESSAVG: 3661400 47.0917 -37.5416 -28.7443 -41.9873 1.39933 -29.4165 -26.175 -30.6406 27.8318 TIMING: 3661400 CPU: 11438.8, 0.00309721/step Wall: 11438.8, 0.00309721/step, 1.15164 hours remaining, 234.304688 MB of memory in use. ENERGY: 3661400 4009.1067 20644.4305 14515.2957 226.2968 -203463.3649 2902.2797 0.0000 0.0000 51917.3653 -109248.5903 298.3698 -161165.9556 -108893.5834 299.4796 -200.6758 -162.4643 763347.0469 25.3228 25.4409 PRESSURE: 3661600 346.104 -77.172 -121.609 -77.1708 516.909 31.1333 -121.608 31.1329 -58.108 GPRESSURE: 3661600 344.417 -21.7142 -7.01391 -93.8351 555.019 -25.4234 -126.061 48.29 -5.66251 PRESSAVG: 3661600 13.3166 -26.8425 5.10045 -26.8426 -3.34634 -1.35926 5.10048 -1.35935 31.6797 GPRESSAVG: 3661600 13.4191 -27.3323 5.93987 -26.2037 -3.50521 -3.31605 4.74248 -0.133947 32.2691 TIMING: 3661600 CPU: 11439.4, 0.00309727/step Wall: 11439.4, 0.00309727/step, 1.1515 hours remaining, 234.304688 MB of memory in use. ENERGY: 3661600 3985.6049 20494.2558 14534.7866 258.8831 -203537.6321 2980.1832 0.0000 0.0000 51952.6297 -109331.2887 298.5725 -161283.9184 -108972.3086 299.3770 268.3017 297.9242 761148.7964 13.8833 14.0610 PRESSURE: 3661800 165.822 -111.643 -95.0015 -111.643 -144.954 -24.3555 -95.0015 -24.3552 -191.042 GPRESSURE: 3661800 196.15 -31.2417 -61.3921 -183.66 -103.63 -7.0945 -59.4179 -20.638 -192.004 PRESSAVG: 3661800 72.3833 -21.357 -8.11844 -21.3569 -34.6977 21.2366 -8.11847 21.2367 1.92787 GPRESSAVG: 3661800 72.225 -21.5125 -5.72213 -23.3004 -33.9211 22.4475 -8.80637 20.3404 1.44275 TIMING: 3661800 CPU: 11440, 0.0031031/step Wall: 11440, 0.0031031/step, 1.15349 hours remaining, 234.304688 MB of memory in use. ENERGY: 3661800 4002.2171 20424.4379 14455.1407 256.9220 -203208.2221 2695.6464 0.0000 0.0000 52231.6351 -109142.2228 300.1759 -161373.8579 -108776.6431 299.4728 -56.7246 -33.1616 762221.6942 13.2045 13.2489 PRESSURE: 3662000 -459.908 -4.56363 32.2731 -4.56302 -65.9665 77.2064 32.2743 77.2065 250.82 GPRESSURE: 3662000 -356.604 52.4773 -44.9134 -1.13851 -110.467 -16.1299 202.415 116.001 272.551 PRESSAVG: 3662000 39.7709 -2.50992 -22.7847 -2.50988 -34.9397 11.4404 -22.7847 11.4404 -9.51352 GPRESSAVG: 3662000 40.4306 -0.545708 -25.7671 -2.32807 -36.0369 11.6699 -21.4474 11.3774 -9.15314 TIMING: 3662000 CPU: 11440.7, 0.00312324/step Wall: 11440.7, 0.00312324/step, 1.16081 hours remaining, 234.304688 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: 3662000 4075.1592 20443.9646 14499.0011 281.0743 -202994.6945 2564.7306 0.0000 0.0000 52047.9623 -109082.8025 299.1204 -161130.7648 -108715.7120 299.7113 -91.6849 -64.8399 764240.9408 -1.5608 -1.5865 PRESSURE: 3662200 -107.097 -204.723 -84.8851 -204.724 212.807 249.422 -84.8853 249.422 362.304 GPRESSURE: 3662200 33.1318 -214.813 -143.02 -160.355 223.637 379.088 1.80464 204 322.753 PRESSAVG: 3662200 78.5231 26.838 -14.2685 26.8379 -79.3236 10.7339 -14.2684 10.7339 6.87624 GPRESSAVG: 3662200 78.3478 26.2227 -12.6557 27.2947 -78.3514 11.6508 -14.3793 10.5817 6.33581 TIMING: 3662200 CPU: 11441.3, 0.00309947/step Wall: 11441.3, 0.00309947/step, 1.1518 hours remaining, 234.304688 MB of memory in use. ENERGY: 3662200 3999.4441 20413.4048 14570.1133 246.9429 -203175.2255 2762.4134 0.0000 0.0000 52202.6182 -108980.2889 300.0092 -161182.9071 -108604.8647 299.9084 156.0046 193.1740 764232.0230 2.0253 2.1107 PRESSURE: 3662400 -114.128 -115.015 -220.235 -115.015 -282.912 -33.0573 -220.235 -33.0564 -296.271 GPRESSURE: 3662400 -109.51 -178.913 -241.227 -62.0659 -183.029 -19.088 -162.4 -10.0255 -331.654 PRESSAVG: 3662400 47.442 -1.27312 -42.9837 -1.27309 -48.7175 -27.5736 -42.9837 -27.5736 -14.6806 GPRESSAVG: 3662400 47.9985 -4.25509 -43.2039 1.00691 -49.0064 -29.272 -45.3011 -25.8697 -14.2498 TIMING: 3662400 CPU: 11441.9, 0.00308566/step Wall: 11441.9, 0.00308566/step, 1.1465 hours remaining, 234.304688 MB of memory in use. ENERGY: 3662400 4081.8855 20435.0881 14586.2620 272.3153 -203015.9907 2723.4083 0.0000 0.0000 52074.9010 -108842.1306 299.2752 -160917.0316 -108478.7590 299.4231 -231.1037 -208.0644 762520.2518 -5.3187 -5.0859 PRESSURE: 3662600 -331.019 -70.2562 -79.9133 -70.2563 378.73 65.4905 -79.9138 65.4913 -244.527 GPRESSURE: 3662600 -258.637 -7.83549 8.1112 -39.9789 302.354 60.2088 48.6897 32.2772 -174.188 PRESSAVG: 3662600 -15.3835 -8.78831 -8.91608 -8.78835 30.0507 6.71321 -8.9161 6.71333 24.9457 GPRESSAVG: 3662600 -15.6306 -6.71402 -8.55148 -7.65194 31.0904 7.287 -8.35922 3.40708 24.3486 TIMING: 3662600 CPU: 11442.5, 0.00309451/step Wall: 11442.5, 0.00309451/step, 1.14961 hours remaining, 234.304688 MB of memory in use. ENERGY: 3662600 4078.7115 20347.5859 14529.3515 244.2579 -203326.5303 3019.3348 0.0000 0.0000 52405.9061 -108701.3827 301.1775 -161107.2888 -108331.0208 299.9344 -65.6054 -43.4907 763895.1373 13.2043 13.2695 PRESSURE: 3662800 -21.1687 -138.199 158.262 -138.199 -29.6162 -117.006 158.261 -117.005 -187.882 GPRESSURE: 3662800 -36.119 -131.981 144.511 -103.989 -13.213 -277.494 222.664 -98.598 -107.22 PRESSAVG: 3662800 31.8897 -42.769 -29.9427 -42.7689 -10.9283 -25.114 -29.9426 -25.114 1.17032 GPRESSAVG: 3662800 32.2211 -42.6536 -30.3228 -42.0385 -11.8828 -25.3138 -27.6952 -22.5895 0.896066 TIMING: 3662800 CPU: 11443.1, 0.00309579/step Wall: 11443.1, 0.00309579/step, 1.14991 hours remaining, 234.304688 MB of memory in use. ENERGY: 3662800 4052.0862 20551.5328 14497.5782 252.0194 -203547.4788 3083.8800 0.0000 0.0000 52435.8323 -108674.5500 301.3494 -161110.3822 -108298.4380 300.1750 -79.5555 -52.1839 763598.9274 7.3772 7.0781 PRESSURE: 3663000 -160.432 16.9097 30.1259 16.9094 168.925 45.3362 30.1262 45.335 206.558 GPRESSURE: 3663000 -124.849 110.465 -32.3914 51.5042 195.125 89.8645 -18.8483 -53.1338 227.544 PRESSAVG: 3663000 -50.2434 -52.7592 -65.0736 -52.7592 35.6545 -55.171 -65.0736 -55.171 -28.2989 GPRESSAVG: 3663000 -51.3463 -50.4146 -64.1883 -56.8303 36.9098 -53.6642 -66.9026 -57.0837 -28.483 TIMING: 3663000 CPU: 11443.8, 0.00311378/step Wall: 11443.8, 0.00311378/step, 1.15642 hours remaining, 234.304688 MB of memory in use. ENERGY: 3663000 4066.7581 20541.1644 14534.4188 257.3377 -203327.1273 2845.3002 0.0000 0.0000 52312.3485 -108769.7996 300.6398 -161082.1481 -108408.3777 300.7522 71.6837 99.2733 764697.2698 -14.2959 -14.3065 PRESSURE: 3663200 -203.323 -149.036 -154.588 -149.037 69.0397 -31.1438 -154.588 -31.1444 198.629 GPRESSURE: 3663200 -130.472 -208.033 -94.4782 -6.4881 60.8944 13.0077 -96.4845 -95.655 215.666 PRESSAVG: 3663200 21.6225 -11.0214 -40.3624 -11.0215 -24.7251 -54.8727 -40.3624 -54.8727 5.86587 GPRESSAVG: 3663200 22.8354 -11.7151 -41.0486 -10.2501 -25.7145 -56.2103 -40.7328 -52.5109 5.6341 TIMING: 3663200 CPU: 11444.4, 0.0030983/step Wall: 11444.4, 0.0030983/step, 1.1505 hours remaining, 234.304688 MB of memory in use. ENERGY: 3663200 3967.7879 20555.6398 14493.8679 232.5835 -202864.1050 2645.0207 0.0000 0.0000 52195.7034 -108773.5018 299.9694 -160969.2051 -108403.0108 300.3799 21.4487 48.6961 765234.2306 0.9211 0.9183 PRESSURE: 3663400 -157.644 -20.5435 37.4637 -20.5434 -166.067 96.9208 37.4637 96.9214 -299.435 GPRESSURE: 3663400 -115.956 96.7124 9.3499 57.2375 -174.015 133.412 -63.3258 69.3895 -252.803 PRESSAVG: 3663400 0.686271 -8.27794 27.4432 -8.27803 -15.9251 1.4401 27.4432 1.44008 5.60938 GPRESSAVG: 3663400 -0.345963 -8.39176 28.2586 -8.1892 -15.7683 2.24122 28.2904 -0.133914 5.95782 TIMING: 3663400 CPU: 11445, 0.00310808/step Wall: 11445, 0.00310808/step, 1.15396 hours remaining, 234.304688 MB of memory in use. ENERGY: 3663400 4094.4858 20591.2949 14454.8885 242.8124 -203221.5462 2757.9924 0.0000 0.0000 52116.1718 -108963.9005 299.5124 -161080.0724 -108603.1693 300.1441 -207.7152 -180.9244 765151.2104 -3.2098 -3.3855 PRESSURE: 3663600 199.649 15.2519 118.798 15.2526 -62.0608 -77.465 118.798 -77.4644 433.752 GPRESSURE: 3663600 253.646 -105.94 224.441 13.1476 -13.0516 -138.333 117.173 167.236 425.058 PRESSAVG: 3663600 59.2882 -26.9553 4.15508 -26.9553 -23.6107 -15.5068 4.15515 -15.5067 1.26756 GPRESSAVG: 3663600 59.5062 -27.4605 2.88922 -25.7542 -24.1677 -16.8347 2.6618 -12.7882 1.99207 TIMING: 3663600 CPU: 11445.6, 0.00308817/step Wall: 11445.6, 0.00308817/step, 1.1464 hours remaining, 234.304688 MB of memory in use. ENERGY: 3663600 3940.0353 20551.2443 14489.0149 267.4704 -203087.3688 2804.3308 0.0000 0.0000 52177.4918 -108857.7812 299.8648 -161035.2731 -108498.6354 300.2608 190.4468 221.8843 760665.4806 12.3150 12.4435 PRESSURE: 3663800 296.67 -30.2937 -11.8125 -30.2946 58.0185 149.401 -11.8124 149.402 -42.1309 GPRESSURE: 3663800 334.779 30.9352 56.8394 69.7114 152.811 148.909 40.1254 60.4127 -66.1265 PRESSAVG: 3663800 34.0141 21.0165 10.5907 21.0166 -28.5192 8.42727 10.5908 8.42732 8.5786 GPRESSAVG: 3663800 34.7818 20.797 11.6406 19.7475 -29.2708 8.41192 11.0673 8.61281 8.47249 TIMING: 3663800 CPU: 11446.2, 0.00307668/step Wall: 11446.2, 0.00307668/step, 1.14196 hours remaining, 234.304688 MB of memory in use. ENERGY: 3663800 3917.5333 20509.0538 14499.9694 249.2984 -203130.8819 2716.5666 0.0000 0.0000 52445.6895 -108792.7709 301.4061 -161238.4604 -108424.4136 300.2810 104.1857 140.4877 762942.7111 4.6911 4.6612 PRESSURE: 3664000 81.9762 38.6559 133.989 38.6558 -239.618 92.8521 133.989 92.8531 303.762 GPRESSURE: 3664000 212.546 78.3029 44.7821 1.07346 -222.334 108.181 111.763 100.048 215.444 PRESSAVG: 3664000 75.9089 24.6059 -31.889 24.6059 -64.6778 65.0313 -31.8891 65.0313 -4.84047 GPRESSAVG: 3664000 75.7307 24.4984 -32.0854 24.8672 -63.7785 65.6729 -30.7069 62.6951 -5.55579 TIMING: 3664000 CPU: 11446.8, 0.00308289/step Wall: 11446.8, 0.00308289/step, 1.14409 hours remaining, 234.304688 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: 3664000 4039.7794 20651.9056 14568.4974 228.7954 -202921.3849 2653.2511 0.0000 0.0000 52249.4187 -108529.7373 300.2781 -160779.1560 -108167.3070 300.4714 48.7066 68.5519 763863.4927 2.1302 2.1321 PRESSURE: 3664200 2.94156 -41.1909 118.854 -41.191 -260.644 219.986 118.854 219.986 -160.224 GPRESSURE: 3664200 27.0326 -125.222 114.878 55.2676 -126.325 196.255 91.917 262.714 -228.706 PRESSAVG: 3664200 33.298 18.8929 6.7707 18.8928 -29.1864 11.0341 6.7707 11.0342 4.22479 GPRESSAVG: 3664200 33.3356 18.6368 6.54499 19.578 -29.1383 10.792 5.37698 11.1543 3.85841 TIMING: 3664200 CPU: 11447.5, 0.00310018/step Wall: 11447.5, 0.00310017/step, 1.15034 hours remaining, 234.304688 MB of memory in use. ENERGY: 3664200 3922.2282 20542.2312 14577.3349 259.7350 -202673.7296 2398.8429 0.0000 0.0000 52480.8860 -108492.4713 301.6084 -160973.3573 -108124.7726 300.5088 -139.3087 -109.3330 762181.9987 2.7788 2.6852 LDB: ============= START OF LOAD BALANCING ============== 11459.9 LDB: ============== END OF LOAD BALANCING =============== 11459.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11459.9 LDB: ============= START OF LOAD BALANCING ============== 11460.3 LDB: Largest compute 7050 load 0.030004 is 15.4% of average load 0.195223 LDB: Average compute 0.004367 is 2.2% of average load 0.195223 LDB: TIME 11460.3 LOAD: AVG 0.195223 MAX 0.213092 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.59 MB LDB: TIME 11460.3 LOAD: AVG 0.195223 MAX 0.213092 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.758 MB LDB: TIME 11460.3 LOAD: AVG 0.195223 MAX 0.213092 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.758 MB LDB: ============== END OF LOAD BALANCING =============== 11460.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11460.3 PRESSURE: 3664400 56.8357 17.2816 -223.235 17.2815 -193.699 73.7264 -223.235 73.7259 -101.195 GPRESSURE: 3664400 89.5128 -14.6253 -203.803 31.295 -161.606 12.2256 -317.674 98.6428 -92.2653 PRESSAVG: 3664400 7.21873 -25.0236 15.9292 -25.0235 -10.7469 1.57384 15.9292 1.57386 -0.373514 GPRESSAVG: 3664400 7.22166 -25.0428 15.4238 -27.5784 -11.7519 0.50569 15.994 1.86775 0.750321 TIMING: 3664400 CPU: 11448.1, 0.00316038/step Wall: 11448.1, 0.00316038/step, 1.1725 hours remaining, 235.195312 MB of memory in use. ENERGY: 3664400 3936.6449 20501.4092 14512.6680 254.8126 -202995.4874 2639.6580 0.0000 0.0000 52276.4253 -108873.8693 300.4333 -161150.2947 -108512.9044 300.2832 -79.3527 -54.7861 762539.5423 -1.3006 -1.2600 PRESSURE: 3664600 96.3568 -129.558 -115.614 -129.558 55.4639 -27.593 -115.615 -27.5933 -302.602 GPRESSURE: 3664600 144.851 -83.8753 -66.2087 -112.485 54.5107 44.527 -167.346 -112.386 -292.469 PRESSAVG: 3664600 -13.4226 -10.8218 -55.9652 -10.8218 -11.8235 -41.2949 -55.9652 -41.2947 -3.82188 GPRESSAVG: 3664600 -14.0317 -9.53307 -55.4806 -8.94519 -10.4392 -41.9304 -56.169 -40.9712 -5.05194 TIMING: 3664600 CPU: 11448.7, 0.00309074/step Wall: 11448.7, 0.00309074/step, 1.14649 hours remaining, 235.453125 MB of memory in use. ENERGY: 3664600 3934.4268 20602.3391 14532.8146 236.9078 -202726.9204 2398.5263 0.0000 0.0000 52165.8802 -108856.0257 299.7980 -161021.9059 -108490.3074 299.7965 -50.2603 -31.0357 762993.7202 -9.6893 -9.8410 PRESSURE: 3664800 97.7116 283.001 -195.6 283.002 -277.954 50.2212 -195.6 50.2205 -261.506 GPRESSURE: 3664800 130.665 278.834 -185.84 279.746 -183.644 8.7202 -196.667 27.313 -296.92 PRESSAVG: 3664800 1.01516 -12.6088 -68.8902 -12.6088 4.68087 4.1465 -68.8903 4.14653 3.35566 GPRESSAVG: 3664800 0.974799 -13.3388 -69.3969 -12.1927 4.14841 4.50574 -71.0509 5.80905 3.72156 TIMING: 3664800 CPU: 11449.3, 0.00310565/step Wall: 11449.3, 0.00310565/step, 1.15185 hours remaining, 235.453125 MB of memory in use. ENERGY: 3664800 3951.5561 20544.5953 14575.3255 236.8179 -202935.0781 2672.5265 0.0000 0.0000 52310.0561 -108644.2008 300.6266 -160954.2569 -108283.4339 300.5227 -147.2494 -116.6328 762999.9286 3.0172 2.9483 PRESSURE: 3665000 -0.866998 32.7056 36.0842 32.7054 53.6169 178.921 36.0844 178.92 142.099 GPRESSURE: 3665000 59.7229 120.146 37.9211 36.988 40.889 188.128 -14.2819 101.939 180.774 PRESSAVG: 3665000 10.52 7.21497 -63.0785 7.21498 -59.6097 6.82342 -63.0785 6.82347 21.3344 GPRESSAVG: 3665000 10.6762 7.39496 -61.4751 6.89877 -59.2718 6.61208 -62.2177 6.5001 21.3101 TIMING: 3665000 CPU: 11450, 0.00309767/step Wall: 11450, 0.00309767/step, 1.14872 hours remaining, 235.453125 MB of memory in use. ENERGY: 3665000 3929.4310 20592.2408 14570.7291 257.9026 -203510.1783 2942.3924 0.0000 0.0000 52227.1911 -108990.2914 300.1504 -161217.4825 -108621.9494 300.6246 64.9497 93.7953 763172.1001 -9.2518 -9.0951 PRESSURE: 3665200 -265.88 31.369 59.4028 31.37 -165.777 225.804 59.4037 225.803 -104.146 GPRESSURE: 3665200 -225.597 -58.892 -50.9351 158.123 -160.38 271.275 9.02656 106.899 -48.5878 PRESSAVG: 3665200 27.2241 6.31891 1.40608 6.31894 -1.61139 -3.49901 1.40611 -3.499 0.132827 GPRESSAVG: 3665200 26.7681 4.22082 0.225853 6.44295 -1.53441 -0.741708 2.29921 -4.61578 0.951301 TIMING: 3665200 CPU: 11450.6, 0.00309432/step Wall: 11450.6, 0.00309432/step, 1.14731 hours remaining, 235.453125 MB of memory in use. ENERGY: 3665200 4063.6455 20632.8194 14571.3438 236.5142 -202963.5135 2540.8480 0.0000 0.0000 51963.2829 -108955.0597 298.6337 -160918.3426 -108598.9017 300.0775 -178.6010 -144.8551 762866.9872 8.5819 8.7283 PRESSURE: 3665400 94.019 -61.7194 115.244 -61.7199 227.729 -189.177 115.245 -189.177 -140.306 GPRESSURE: 3665400 140.934 -47.1568 90.3065 -52.2684 281.282 -227.958 106.175 -258.698 -137.029 PRESSAVG: 3665400 -3.83189 97.7157 2.36099 97.7157 -19.0101 -12.1894 2.36101 -12.1894 -11.7388 GPRESSAVG: 3665400 -3.26411 99.4735 4.24503 97.3953 -19.1801 -14.125 3.62644 -12.1471 -11.7641 TIMING: 3665400 CPU: 11451.2, 0.00308386/step Wall: 11451.2, 0.00308386/step, 1.14326 hours remaining, 235.453125 MB of memory in use. ENERGY: 3665400 3958.8338 20695.0669 14553.4812 254.2611 -203508.4492 2961.3778 0.0000 0.0000 52224.2920 -108861.1363 300.1337 -161085.4284 -108494.1571 300.0059 60.4809 95.0619 762491.7539 -11.5269 -11.4028 PRESSURE: 3665600 -30.9879 -125.884 -326.943 -125.884 20.8301 -76.9471 -326.943 -76.9459 102.029 GPRESSURE: 3665600 -128.664 -20.5868 -376.431 -80.7558 138.317 -153.979 -308.59 -74.9431 179.031 PRESSAVG: 3665600 27.7612 28.6327 -17.1773 28.6328 -10.8053 -60.8377 -17.1774 -60.8377 -13.8899 GPRESSAVG: 3665600 27.7797 27.2378 -19.1165 29.4832 -10.5136 -61.8338 -16.5226 -59.5015 -14.3249 TIMING: 3665600 CPU: 11451.8, 0.00308904/step Wall: 11451.8, 0.00308904/step, 1.145 hours remaining, 235.523438 MB of memory in use. ENERGY: 3665600 4013.7055 20564.3410 14633.0133 260.2827 -203563.0869 2999.1599 0.0000 0.0000 52095.9920 -108996.5924 299.3964 -161092.5845 -108625.3454 300.1410 30.6236 62.8948 763137.5661 1.0220 0.9804 PRESSURE: 3665800 13.1732 9.77477 79.5354 9.77467 -227.371 13.3214 79.5349 13.3221 379.371 GPRESSURE: 3665800 -1.25261 68.1443 46.6089 179.629 -156.867 -21.5379 54.7868 19.7467 410.003 PRESSAVG: 3665800 -25.8423 34.8851 -30.2698 34.8851 29.5438 -14.1478 -30.2698 -14.1477 9.01908 GPRESSAVG: 3665800 -25.8293 36.5699 -29.7067 34.6756 29.4124 -13.4556 -32.4409 -14.3419 9.58035 TIMING: 3665800 CPU: 11452.4, 0.00311145/step Wall: 11452.4, 0.00311145/step, 1.15314 hours remaining, 235.523438 MB of memory in use. ENERGY: 3665800 4071.7478 20606.7673 14545.2898 244.7398 -202938.9533 2607.2755 0.0000 0.0000 51964.1114 -108899.0217 298.6385 -160863.1331 -108546.2942 299.2823 55.0578 83.9609 762074.5696 4.2402 4.3878 PRESSURE: 3666000 -236.022 -54.3163 133.624 -54.3156 -213.232 60.3502 133.624 60.3499 112.588 GPRESSURE: 3666000 -266.62 14.7347 126.695 -145.857 -127.696 117.138 59.6675 -12.6797 144.84 PRESSAVG: 3666000 29.5051 24.5288 -41.2356 24.5288 0.986232 -1.16218 -41.2355 -1.16213 -2.2907 GPRESSAVG: 3666000 27.8012 22.8718 -42.1303 23.7013 2.49339 1.6502 -40.7188 -2.42494 -2.05636 TIMING: 3666000 CPU: 11453, 0.00309812/step Wall: 11453, 0.00309812/step, 1.14803 hours remaining, 235.523438 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: 3666000 4047.4899 20679.2049 14583.9522 259.8972 -203672.5256 2825.9844 0.0000 0.0000 52096.3966 -109179.6006 299.3987 -161275.9972 -108826.2476 299.6349 -112.2222 -83.1588 759866.2161 9.4002 9.4128 PRESSURE: 3666200 -23.8185 -132.27 -71.5451 -132.269 -152.062 118.489 -71.5458 118.489 -73.7182 GPRESSURE: 3666200 -15.7764 -194.203 -115.079 -150.422 -107.682 111.318 -78.1901 91.0009 -65.2964 PRESSAVG: 3666200 20.3098 33.0062 -29.3872 33.0062 -5.75053 -15.8884 -29.3873 -15.8884 -2.97017 GPRESSAVG: 3666200 22.0757 32.1966 -28.7702 35.0339 -7.01802 -17.1857 -28.967 -16.2314 -3.90702 TIMING: 3666200 CPU: 11453.7, 0.0031047/step Wall: 11453.7, 0.0031047/step, 1.15029 hours remaining, 235.523438 MB of memory in use. ENERGY: 3666200 3934.2391 20680.1882 14455.2671 241.2271 -203432.1380 2690.1053 0.0000 0.0000 52299.1728 -109131.9384 300.5641 -161431.1113 -108763.1982 299.8089 -83.1996 -62.9184 761854.0817 3.8630 3.7169 PRESSURE: 3666400 -140.063 -70.1746 -178.216 -70.1748 -221.593 27.2122 -178.216 27.212 -72.7393 GPRESSURE: 3666400 -56.6908 -48.7557 -127.183 -102.308 -194.057 -55.0442 -37.084 141.278 -99.4666 PRESSAVG: 3666400 13.7369 -25.3987 -16.682 -25.3987 -62.7854 25.8842 -16.682 25.8843 -9.81871 GPRESSAVG: 3666400 12.1322 -23.4894 -18.0199 -25.2716 -61.9583 26.4231 -15.7859 27.3743 -9.70813 TIMING: 3666400 CPU: 11454.3, 0.00309146/step Wall: 11454.3, 0.00309146/step, 1.14521 hours remaining, 235.523438 MB of memory in use. ENERGY: 3666400 4131.3864 20486.0681 14546.8791 248.3011 -203421.8071 2741.7936 0.0000 0.0000 52079.5263 -109187.8526 299.3018 -161267.3789 -108829.6611 299.7194 -144.7984 -116.7383 761421.1960 -19.6224 -19.8448 PRESSURE: 3666600 -220.949 -141.421 -40.0859 -141.421 -349.212 -61.286 -40.0853 -61.2872 -7.34497 GPRESSURE: 3666600 -207.361 -62.0114 -56.5133 -69.8024 -288.783 -117.021 -3.92184 -114.444 33.2415 PRESSAVG: 3666600 14.4286 29.1707 -24.7655 29.1707 -13.347 -6.42697 -24.7655 -6.42707 20.0937 GPRESSAVG: 3666600 14.1878 26.7206 -22.5847 29.1471 -13.4019 -6.67919 -26.2562 -7.68397 20.3724 TIMING: 3666600 CPU: 11454.9, 0.00310337/step Wall: 11454.9, 0.00310337/step, 1.14945 hours remaining, 235.523438 MB of memory in use. ENERGY: 3666600 3951.2612 20402.4609 14488.2572 248.9698 -203604.4550 2572.2889 0.0000 0.0000 52338.9182 -109602.2989 300.7925 -161941.2171 -109231.2075 298.8745 -192.5023 -154.3010 760940.5484 7.0584 7.0528 PRESSURE: 3666800 -11.8998 4.56713 -56.1196 4.56745 -381.803 109.066 -56.1197 109.066 32.3061 GPRESSURE: 3666800 -13.0661 51.6278 -125.208 -165.82 -386.035 77.315 -90.0309 209.254 132.392 PRESSAVG: 3666800 47.1396 -33.3801 -38.9273 -33.3802 -13.7151 -27.497 -38.9273 -27.4972 -2.23757 GPRESSAVG: 3666800 49.1918 -31.5024 -39.8014 -35.3351 -15.1902 -27.9818 -37.7963 -25.7296 -1.78939 TIMING: 3666800 CPU: 11455.5, 0.00309918/step Wall: 11455.5, 0.00309918/step, 1.14773 hours remaining, 235.523438 MB of memory in use. ENERGY: 3666800 4026.0521 20709.1901 14493.2938 254.2491 -203224.7625 2485.2574 0.0000 0.0000 51920.6696 -109336.0503 298.3888 -161256.7199 -108977.3285 298.8480 -120.4655 -88.9031 761525.1792 10.3956 10.7374 PRESSURE: 3667000 -90.3475 80.2942 -60.4244 80.2957 -88.2962 -0.313939 -60.4249 -0.314584 514.127 GPRESSURE: 3667000 -92.9196 166.771 -59.1815 6.36193 27.9022 -34.1677 -156.425 57.2404 481.673 PRESSAVG: 3667000 17.4433 11.2399 -0.629502 11.2399 -6.89115 -0.734577 -0.62954 -0.734572 3.95128 GPRESSAVG: 3667000 14.9067 11.8161 0.294893 10.2357 -4.27126 -0.408095 0.749873 -0.359414 4.21926 TIMING: 3667000 CPU: 11456.2, 0.00310862/step Wall: 11456.2, 0.00310862/step, 1.15105 hours remaining, 235.523438 MB of memory in use. ENERGY: 3667000 4015.9592 20507.5850 14494.2931 258.2084 -203684.2476 2728.3844 0.0000 0.0000 52487.1384 -109192.6791 301.6443 -161679.8175 -108819.2088 299.3766 111.8279 138.8850 762324.2559 4.8345 4.9516 PRESSURE: 3667200 -244.098 65.3891 -210.078 65.3897 -183.564 11.2432 -210.077 11.242 234.637 GPRESSURE: 3667200 -202.038 -16.6095 -222.178 67.6144 -137.308 20.3804 -144.189 -131.276 231.547 PRESSAVG: 3667200 -11.2555 6.83191 14.4195 6.83184 2.48376 22.5632 14.4195 22.5633 -0.183256 GPRESSAVG: 3667200 -11.0074 7.92549 14.3658 7.37294 0.984139 21.3858 14.4392 22.3231 0.695433 TIMING: 3667200 CPU: 11456.8, 0.00311856/step Wall: 11456.8, 0.00311856/step, 1.15456 hours remaining, 235.523438 MB of memory in use. ENERGY: 3667200 4088.4744 20681.3283 14458.7534 240.8227 -203925.5321 2936.0440 0.0000 0.0000 52270.0261 -109250.0832 300.3966 -161520.1093 -108876.1605 299.5647 -64.3418 -35.9329 762588.9323 -2.9850 -3.1093 PRESSURE: 3667400 -496.466 16.8462 -193.71 16.8469 -531.303 -45.3066 -193.709 -45.3069 -465.071 GPRESSURE: 3667400 -368.591 -94.7953 -179.422 -34.6234 -484.457 -14.2113 -133.576 -93.2042 -552.194 PRESSAVG: 3667400 39.1486 -10.2273 -68.0023 -10.2273 -16.4287 10.7871 -68.0023 10.7872 -10.3216 GPRESSAVG: 3667400 40.2446 -13.0499 -69.316 -10.6519 -16.6695 10.8417 -67.8536 9.26225 -11.5347 TIMING: 3667400 CPU: 11457.4, 0.00310829/step Wall: 11457.4, 0.00310829/step, 1.15058 hours remaining, 235.523438 MB of memory in use. ENERGY: 3667400 4101.4445 20586.5110 14490.7002 241.1717 -203242.3833 2418.5394 0.0000 0.0000 52339.8391 -109064.1774 300.7978 -161404.0165 -108686.6986 299.2777 -497.6136 -468.4141 762392.1759 4.1327 4.0135 PRESSURE: 3667600 44.476 -88.243 77.8202 -88.2417 -47.9009 -28.9668 77.8197 -28.9664 -257.162 GPRESSURE: 3667600 50.8488 -186.143 3.7044 -60.8279 17.6249 -32.1104 126.911 23.8405 -250.757 PRESSAVG: 3667600 36.8032 -63.7459 9.64232 -63.7459 -51.7703 6.52903 9.64232 6.52908 -4.81782 GPRESSAVG: 3667600 35.9677 -63.3216 9.28783 -64.0471 -51.1331 6.24608 9.42071 8.08748 -4.95694 TIMING: 3667600 CPU: 11458, 0.00310988/step Wall: 11458, 0.00310988/step, 1.151 hours remaining, 235.523438 MB of memory in use. ENERGY: 3667600 4059.0997 20715.7621 14456.3311 264.3138 -203588.3222 2914.3599 0.0000 0.0000 52109.8405 -109068.6151 299.4760 -161178.4557 -108717.5101 299.9074 -86.8624 -60.7612 762104.5993 -6.5950 -6.7074 PRESSURE: 3667800 -159.057 82.6429 25.0293 82.6421 -131.24 -288.502 25.0298 -288.502 12.1662 GPRESSURE: 3667800 -161.321 79.632 71.6293 -22.054 -119.395 -274.504 -16.047 -242.115 84.0784 PRESSAVG: 3667800 14.1586 -35.8569 16.2199 -35.857 -15.0811 -46.3618 16.2199 -46.3618 -11.1497 GPRESSAVG: 3667800 12.7941 -34.4046 17.3628 -34.8513 -14.4087 -45.6483 15.7035 -45.8878 -10.528 TIMING: 3667800 CPU: 11458.6, 0.00311208/step Wall: 11458.6, 0.00311208/step, 1.15164 hours remaining, 235.523438 MB of memory in use. ENERGY: 3667800 4009.0351 20608.3276 14438.2720 256.4217 -203608.1027 2783.4594 0.0000 0.0000 52380.8513 -109131.7357 301.0335 -161512.5870 -108760.4005 300.2802 -92.7101 -65.5458 763597.6944 -4.0241 -4.0475 PRESSURE: 3668000 179.269 11.0312 74.0448 11.0313 99.8575 -24.8002 74.045 -24.801 233.136 GPRESSURE: 3668000 215.589 155.197 133.395 18.9019 224.575 -80.8339 -27.2181 44.7036 149.151 PRESSAVG: 3668000 -9.48479 -53.3324 -8.57344 -53.3325 29.2715 -9.77172 -8.57346 -9.77159 15.2967 GPRESSAVG: 3668000 -8.5073 -53.6241 -8.45714 -52.6528 28.105 -8.62338 -8.88146 -11.0248 15.2488 TIMING: 3668000 CPU: 11459.3, 0.00308502/step Wall: 11459.3, 0.00308502/step, 1.14146 hours remaining, 235.523438 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: 3668000 3936.2876 20535.0819 14565.7976 270.3870 -203583.0147 2752.9516 0.0000 0.0000 52232.4280 -109290.0811 300.1805 -161522.5091 -108922.6797 299.6757 170.7541 196.4382 761817.1769 11.6945 11.6155 PRESSURE: 3668200 -167.858 -13.2624 150.87 -13.263 187.295 21.1697 150.87 21.1691 -183.103 GPRESSURE: 3668200 -36.223 36.4856 74.0132 -34.9853 172.346 -36.5777 35.7882 107.506 -239.093 PRESSAVG: 3668200 -46.017 -32.4292 -4.54452 -32.4292 38.6436 26.0419 -4.54449 26.0419 -16.7474 GPRESSAVG: 3668200 -46.5266 -33.1859 -3.68067 -34.1256 40 24.6175 -3.76666 26.1165 -17.373 TIMING: 3668200 CPU: 11459.9, 0.0031026/step Wall: 11459.9, 0.0031026/step, 1.14779 hours remaining, 235.523438 MB of memory in use. ENERGY: 3668200 3988.7372 20604.6316 14503.1397 251.4533 -203007.2620 2520.1858 0.0000 0.0000 51758.3614 -109380.7529 297.4560 -161139.1143 -109022.3915 299.2922 -54.5551 -34.3231 764017.1038 -8.0403 -7.9665 LDB: ============= START OF LOAD BALANCING ============== 11472.4 LDB: ============== END OF LOAD BALANCING =============== 11472.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11472.4 LDB: ============= START OF LOAD BALANCING ============== 11472.7 LDB: Largest compute 6998 load 0.028793 is 14.7% of average load 0.195285 LDB: Average compute 0.004350 is 2.2% of average load 0.195285 LDB: TIME 11472.7 LOAD: AVG 0.195285 MAX 0.215193 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.598 MB LDB: TIME 11472.7 LOAD: AVG 0.195285 MAX 0.215193 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.598 MB LDB: TIME 11472.7 LOAD: AVG 0.195285 MAX 0.215193 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.598 MB LDB: ============== END OF LOAD BALANCING =============== 11472.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11472.7 PRESSURE: 3668400 -226.232 -97.6965 -120.745 -97.6967 -277.578 97.2078 -120.744 97.2087 -321.358 GPRESSURE: 3668400 -160.031 18.9024 -157.682 -44.5188 -239.563 74.3601 -75.4243 89.2697 -346.929 PRESSAVG: 3668400 26.9193 -9.5358 -3.0057 -9.53575 -56.9799 -6.40114 -3.00571 -6.40108 -10.3931 GPRESSAVG: 3668400 27.897 -8.60991 -3.45142 -6.61661 -58.7944 -6.00767 -3.86873 -6.23334 -10.0927 TIMING: 3668400 CPU: 11460.5, 0.00318805/step Wall: 11460.5, 0.00318805/step, 1.17922 hours remaining, 234.691406 MB of memory in use. ENERGY: 3668400 4036.5804 20636.4758 14508.0918 251.4608 -203206.1529 2597.1736 0.0000 0.0000 51947.8407 -109228.5298 298.5450 -161176.3705 -108861.5834 299.2184 -275.0560 -248.8408 764308.5059 -13.4845 -13.6634 PRESSURE: 3668600 -50.3275 -29.8037 -30.0361 -29.8034 -340.378 219.618 -30.0359 219.618 -374.307 GPRESSURE: 3668600 -41.0208 -75.1558 -63.215 -8.61266 -275.005 264.554 -190.737 108.196 -341.391 PRESSAVG: 3668600 50.3624 -48.1684 58.588 -48.1684 -87.0652 14.3078 58.5882 14.3078 16.725 GPRESSAVG: 3668600 48.5598 -49.2555 58.7204 -49.3249 -84.8489 15.6259 59.5744 14.2685 16.9253 TIMING: 3668600 CPU: 11461.1, 0.00310657/step Wall: 11461.1, 0.00310657/step, 1.14891 hours remaining, 234.890625 MB of memory in use. ENERGY: 3668600 3981.7066 20572.7191 14572.8294 254.1300 -202884.3386 2437.2082 0.0000 0.0000 52009.2702 -109056.4752 298.8980 -161065.7454 -108696.3537 299.3107 -255.0041 -219.1386 764110.7441 -6.6593 -6.4546 PRESSURE: 3668800 -169.992 -100.707 140.237 -100.707 -332.506 -60.8444 140.238 -60.844 -327.717 GPRESSURE: 3668800 -96.6103 -86.7448 243.719 -97.8071 -279.083 -54.0396 182.969 -62.1468 -390.313 PRESSAVG: 3668800 71.6408 6.32407 20.3359 6.3241 -28.8114 -12.7916 20.3359 -12.7917 -7.28547 GPRESSAVG: 3668800 71.8619 9.00624 21.2939 4.4828 -29.3241 -14.8318 19.0493 -13.1006 -7.08085 TIMING: 3668800 CPU: 11461.8, 0.00310748/step Wall: 11461.8, 0.00310748/step, 1.14908 hours remaining, 234.890625 MB of memory in use. ENERGY: 3668800 4035.5794 20407.2471 14497.1629 262.0257 -203390.8292 2892.2657 0.0000 0.0000 52219.2489 -109077.2995 300.1047 -161296.5484 -108707.0194 299.7722 -276.7383 -255.3358 761930.7932 11.8480 11.8190 PRESSURE: 3669000 -22.5739 38.0804 149.139 38.081 -442.555 -212.108 149.139 -212.108 253.07 GPRESSURE: 3669000 -91.6461 -8.65881 122.414 -34.1779 -309.928 -276.175 250.004 -192.168 271.079 PRESSAVG: 3669000 50.5395 22.808 12.6574 22.8081 -98.6409 1.81658 12.6575 1.81667 26.227 GPRESSAVG: 3669000 51.7497 18.9357 11.8266 25.4602 -98.2961 2.03351 11.4693 3.04138 25.1327 TIMING: 3669000 CPU: 11462.4, 0.0031036/step Wall: 11462.4, 0.0031036/step, 1.14747 hours remaining, 234.890625 MB of memory in use. ENERGY: 3669000 3946.8458 20434.4733 14527.6301 253.7825 -203203.8543 2729.7177 0.0000 0.0000 52166.5864 -109144.8186 299.8021 -161311.4050 -108768.2372 299.0121 -70.6865 -43.4983 762672.2116 -7.2914 -7.1379 PRESSURE: 3669200 -144.073 -118.28 -184.721 -118.28 24.9098 79.8387 -184.721 79.8391 159.178 GPRESSURE: 3669200 -52.7606 -43.8267 -68.7048 -48.3881 84.9827 85.3398 -80.5499 108.764 104.773 PRESSAVG: 3669200 7.18184 28.092 0.0747703 28.0919 -27.6246 53.5562 0.0747248 53.5562 3.53832 GPRESSAVG: 3669200 6.70521 30.4191 -0.315481 26.5017 -28.1223 54.0635 3.84507 55.11 4.29227 TIMING: 3669200 CPU: 11463, 0.00310638/step Wall: 11463, 0.00310638/step, 1.14832 hours remaining, 234.890625 MB of memory in use. ENERGY: 3669200 3964.9705 20477.0130 14558.0453 238.2002 -203437.1956 2857.4276 0.0000 0.0000 52251.1676 -109090.3714 300.2882 -161341.5390 -108738.7980 299.3524 13.3381 45.6651 759944.6740 -5.6348 -5.7083 PRESSURE: 3669400 -55.193 224.141 112.971 224.142 177.613 -13.6293 112.971 -13.6298 -166.214 GPRESSURE: 3669400 71.515 75.8392 3.92472 178.049 191.005 -75.2539 82.8801 -115.441 -198.259 PRESSAVG: 3669400 9.24705 23.964 9.32355 23.964 -11.8117 1.45849 9.32358 1.45837 -1.31328 GPRESSAVG: 3669400 11.0013 24.5792 9.38698 23.2898 -11.9476 0.816271 7.84917 -0.630601 -2.64484 TIMING: 3669400 CPU: 11463.6, 0.00310861/step Wall: 11463.6, 0.00310861/step, 1.14898 hours remaining, 234.890625 MB of memory in use. ENERGY: 3669400 4009.7398 20345.5547 14434.4261 259.8792 -202982.6133 2604.9179 0.0000 0.0000 51989.0879 -109339.0078 298.7820 -161328.0958 -108972.1043 299.2582 -14.5982 21.4201 762125.6143 -1.2927 -1.1971 PRESSURE: 3669600 -240.667 -114.172 -58.9055 -114.173 -373.85 105.155 -58.906 105.155 188.644 GPRESSURE: 3669600 -223.738 -137.296 0.527024 -182.423 -367.101 155.277 16.6041 124.916 237.694 PRESSAVG: 3669600 0.82113 30.725 20.9938 30.7251 6.48742 10.5384 20.9938 10.5384 -9.30764 GPRESSAVG: 3669600 -1.15095 30.0366 23.0898 31.268 6.64439 12.0627 20.0913 10.7772 -7.49474 TIMING: 3669600 CPU: 11464.2, 0.00310722/step Wall: 11464.2, 0.00310722/step, 1.14829 hours remaining, 234.890625 MB of memory in use. ENERGY: 3669600 4011.2404 20537.9863 14536.1681 239.1472 -203043.4271 2487.0977 0.0000 0.0000 51816.5460 -109415.2414 297.7904 -161231.7873 -109061.9582 298.9307 -141.9573 -117.7152 763449.6710 -0.6664 -0.6671 PRESSURE: 3669800 25.2631 0.372974 -10.985 0.372535 -187.861 -119.453 -10.985 -119.453 -37.8564 GPRESSURE: 3669800 59.2453 -36.0634 69.6217 20.1381 -101.639 -240.635 -35.3745 -21.3953 -83.3142 PRESSAVG: 3669800 21.5599 6.87478 -7.86128 6.87482 -30.7749 -28.6468 -7.86126 -28.6469 -1.77011 GPRESSAVG: 3669800 21.4634 5.51783 -9.07913 8.49052 -30.0608 -29.8139 -5.65522 -28.9055 -2.67848 TIMING: 3669800 CPU: 11464.9, 0.00311015/step Wall: 11464.9, 0.00311015/step, 1.1492 hours remaining, 234.890625 MB of memory in use. ENERGY: 3669800 3985.8765 20522.9389 14596.8540 237.0475 -202922.4603 2482.6044 0.0000 0.0000 51950.6873 -109146.4516 298.5613 -161097.1389 -108798.7324 298.6811 -66.8181 -41.9026 762885.2392 -3.6617 -3.7586 PRESSURE: 3670000 -193.794 18.2886 252.98 18.288 123.577 81.0877 252.978 81.0868 493.329 GPRESSURE: 3670000 -182.664 115.797 252.462 -20.2959 201.992 118.265 242.291 77.1187 461.979 PRESSAVG: 3670000 -9.64856 -28.8354 -18.9901 -28.8355 14.128 -5.34332 -18.99 -5.34333 14.4893 GPRESSAVG: 3670000 -9.74623 -25.9705 -18.2518 -30.9777 12.746 -5.52341 -20.908 -5.75416 16.3847 TIMING: 3670000 CPU: 11465.5, 0.00311963/step Wall: 11465.5, 0.00311963/step, 1.15253 hours remaining, 234.890625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3670000 3973.5654 20535.1581 14565.3651 236.6830 -203202.1480 2764.2612 0.0000 0.0000 52035.7149 -109091.4004 299.0500 -161127.1153 -108741.0354 299.0605 141.0371 160.4358 763726.2000 6.3229 6.4615 PRESSURE: 3670200 -88.0456 -154.337 107.305 -154.338 101.431 57.4516 107.305 57.4521 -73.2952 GPRESSURE: 3670200 -46.5416 -208.288 102.667 -88.0503 201.579 65.2565 72.2206 -60.9845 -137.356 PRESSAVG: 3670200 -5.40953 -1.96325 47.7866 -1.9633 -18.1753 -13.8784 47.7867 -13.8784 -15.0522 GPRESSAVG: 3670200 -5.22764 -1.43093 45.1816 -1.52526 -16.812 -12.2628 47.6546 -13.9774 -16.2989 TIMING: 3670200 CPU: 11466.1, 0.00311288/step Wall: 11466.1, 0.00311288/step, 1.14986 hours remaining, 234.890625 MB of memory in use. ENERGY: 3670200 3909.0499 20572.7410 14566.3926 260.2996 -203130.7054 2665.5698 0.0000 0.0000 52155.0561 -109001.5964 299.7358 -161156.6525 -108640.0624 299.8933 -19.9700 5.8938 763209.1127 -12.8790 -12.7795 PRESSURE: 3670400 -152.511 139.705 339.572 139.706 -114.297 123.036 339.573 123.036 -85.6313 GPRESSURE: 3670400 -90.6082 173.166 265.601 58.6184 -157.922 133.882 309.087 124.485 -24.3107 PRESSAVG: 3670400 -15.2182 53.4999 8.79468 53.4999 8.42016 -34.4745 8.79461 -34.4744 10.4962 GPRESSAVG: 3670400 -15.1785 52.0895 10.1531 54.7588 7.18175 -34.9833 9.44734 -32.9078 11.8936 TIMING: 3670400 CPU: 11466.7, 0.00311661/step Wall: 11466.7, 0.00311661/step, 1.15107 hours remaining, 234.890625 MB of memory in use. ENERGY: 3670400 3999.1168 20528.3015 14536.2097 250.8371 -203038.9701 2609.8399 0.0000 0.0000 51824.6274 -109290.0376 297.8368 -161114.6650 -108938.4999 299.4227 -117.4798 -90.9471 761986.9046 1.2327 1.2989 PRESSURE: 3670600 168.957 203.507 62.5374 203.506 -3.15425 98.1489 62.5363 98.1494 -186.787 GPRESSURE: 3670600 257.524 129.709 4.99824 258.328 12.259 89.6649 20.5992 36.5529 -214.952 PRESSAVG: 3670600 6.04173 28.7217 17.1554 28.7217 8.04539 15.6242 17.1554 15.6241 -12.5663 GPRESSAVG: 3670600 5.67305 28.7022 18.253 29.1081 8.59883 16.5496 15.1119 14.4038 -13.2666 TIMING: 3670600 CPU: 11467.4, 0.00311962/step Wall: 11467.4, 0.00311962/step, 1.15201 hours remaining, 234.890625 MB of memory in use. ENERGY: 3670600 4014.6409 20332.5417 14560.1437 236.7937 -203088.1887 2410.2066 0.0000 0.0000 52279.3552 -109254.5068 300.4502 -161533.8621 -108881.9255 299.1596 -6.9948 18.2768 763038.6278 0.5069 0.3351 PRESSURE: 3670800 274.807 101.023 -178.087 101.024 -198.126 -11.3103 -178.087 -11.3107 -220.852 GPRESSURE: 3670800 222.826 46.9453 -111.166 95.27 -124.795 -9.02736 -204.895 22.7461 -161.616 PRESSAVG: 3670800 -19.4419 -20.469 22.155 -20.4689 7.01896 -13.9601 22.155 -13.9601 1.17983 GPRESSAVG: 3670800 -20.2726 -20.0144 23.0276 -22.2242 7.79506 -14.8505 24.3007 -14.2867 1.83 TIMING: 3670800 CPU: 11468, 0.00311248/step Wall: 11468, 0.00311248/step, 1.1492 hours remaining, 234.890625 MB of memory in use. ENERGY: 3670800 3994.7235 20492.5845 14544.6000 255.4054 -202996.6067 2593.6020 0.0000 0.0000 51969.4233 -109146.2680 298.6690 -161115.6913 -108778.5503 298.7527 -48.0570 -21.1949 763175.7589 -3.7477 -3.5492 PRESSURE: 3671000 449.928 139.509 154.06 139.509 149.658 -161.135 154.059 -161.136 102.659 GPRESSURE: 3671000 444.068 137.756 145.732 100.157 273.732 -242.416 102.312 -4.45119 56.7157 PRESSAVG: 3671000 39.5027 -27.1855 13.565 -27.1856 -14.4367 -27.9789 13.565 -27.979 -23.3463 GPRESSAVG: 3671000 40.9193 -29.8483 12.3983 -25.673 -15.1668 -28.4719 12.633 -25.7595 -23.7885 TIMING: 3671000 CPU: 11468.6, 0.00312144/step Wall: 11468.6, 0.00312144/step, 1.15233 hours remaining, 234.890625 MB of memory in use. ENERGY: 3671000 3948.8273 20302.5162 14473.4060 261.3287 -203203.7754 2852.1862 0.0000 0.0000 52096.5493 -109268.9617 299.3996 -161365.5110 -108897.9094 298.8718 234.0817 258.1720 764356.2267 0.5733 0.6547 PRESSURE: 3671200 -240.647 118.664 -100.559 118.665 125.002 79.4557 -100.559 79.4564 -50.2243 GPRESSURE: 3671200 -190.881 -13.5284 -81.5131 230.435 124.224 30.2825 5.20969 6.24026 -20.8183 PRESSAVG: 3671200 -16.486 26.7954 14.6925 26.7955 -9.26881 -15.6466 14.6925 -15.6467 -14.738 GPRESSAVG: 3671200 -17.0387 28.8006 14.1387 24.4433 -9.00248 -14.8036 14.6465 -19.3964 -14.3661 TIMING: 3671200 CPU: 11469.2, 0.00310581/step Wall: 11469.2, 0.00310581/step, 1.14639 hours remaining, 234.890625 MB of memory in use. ENERGY: 3671200 4020.0397 20604.1663 14505.5683 245.4861 -203427.2365 2666.0464 0.0000 0.0000 52125.7697 -109260.1600 299.5675 -161385.9297 -108898.7239 298.8729 -55.2897 -29.1586 762152.2891 -13.4976 -13.4691 PRESSURE: 3671400 -36.6147 -25.228 -0.0020389 -25.2289 -102.901 260.429 -0.00223716 260.429 16.6141 GPRESSURE: 3671400 -75.5085 21.3608 40.7728 -3.8643 -86.0823 303.079 77.3121 245.955 139.216 PRESSAVG: 3671400 4.5774 -1.13043 0.494474 -1.1304 1.59873 -16.9712 0.494488 -16.9712 -33.3377 GPRESSAVG: 3671400 5.01667 -1.36975 2.33044 1.40912 1.44024 -16.2733 2.71544 -15.6262 -33.8217 TIMING: 3671400 CPU: 11469.9, 0.00311303/step Wall: 11469.9, 0.00311303/step, 1.14888 hours remaining, 234.890625 MB of memory in use. ENERGY: 3671400 3946.8918 20589.9003 14503.0986 237.4643 -202992.5376 2453.8692 0.0000 0.0000 52226.7323 -109034.5810 300.1477 -161261.3133 -108677.8856 299.2747 -40.9672 -7.4584 762509.7784 -9.0539 -9.1216 PRESSURE: 3671600 -83.3731 -140.36 88.8764 -140.36 -102.188 58.1006 88.8756 58.1012 -86.7418 GPRESSURE: 3671600 -110.267 -133.449 41.4072 -72.9768 -21.5033 -9.66512 114.254 128.712 -40.0405 PRESSAVG: 3671600 -24.8043 27.4129 -20.8125 27.413 28.3125 -28.8647 -20.8125 -28.8648 22.1684 GPRESSAVG: 3671600 -24.3755 27.0809 -22.6067 26.7266 28.1461 -30.1812 -21.6932 -24.5928 21.7444 TIMING: 3671600 CPU: 11470.5, 0.00309031/step Wall: 11470.5, 0.00309031/step, 1.14032 hours remaining, 234.890625 MB of memory in use. ENERGY: 3671600 3986.6107 20553.1215 14446.0470 253.7772 -202799.3839 2327.4709 0.0000 0.0000 52093.1209 -109139.2358 299.3799 -161232.3566 -108776.2674 299.3770 -90.7677 -57.2701 762431.5559 8.5588 8.5050 PRESSURE: 3671800 -237.103 25.5719 -84.1111 25.5721 -112.08 -192.186 -84.1113 -192.187 -139.727 GPRESSURE: 3671800 -122.763 132.326 -47.2523 23.3883 -214.396 -157.782 -102.448 -208.411 -58.749 PRESSAVG: 3671800 36.0318 -18.909 -14.4513 -18.909 -32.6716 -43.3711 -14.4512 -43.371 9.88848 GPRESSAVG: 3671800 35.8737 -20.2664 -12.8413 -17.4716 -33.0349 -42.1642 -16.7023 -45.6225 10.1856 TIMING: 3671800 CPU: 11471.1, 0.00310707/step Wall: 11471.1, 0.00310707/step, 1.14634 hours remaining, 234.890625 MB of memory in use. ENERGY: 3671800 3929.4127 20543.9294 14538.8643 248.6191 -202924.1240 2565.9786 0.0000 0.0000 51823.6932 -109273.6266 297.8315 -161097.3198 -108917.8264 299.3891 -162.9700 -131.9693 762214.7156 4.4162 4.3415 PRESSURE: 3672000 -42.9705 115.973 -153.044 115.973 -55.9918 105.473 -153.044 105.473 9.79236 GPRESSURE: 3672000 -9.49738 42.9603 -220.326 77.6295 10.8087 102.672 -122.324 142.366 18.1798 PRESSAVG: 3672000 27.7398 42.4597 -8.17299 42.4596 -28.4523 -11.9276 -8.17293 -11.9276 15.4296 GPRESSAVG: 3672000 28.6105 40.7994 -8.63666 42.484 -28.5859 -13.196 -6.19787 -13.2135 14.6241 TIMING: 3672000 CPU: 11471.7, 0.00311334/step Wall: 11471.7, 0.00311334/step, 1.14848 hours remaining, 234.890625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3672000 3940.0331 20373.1445 14584.6000 251.1434 -203181.7833 2623.1270 0.0000 0.0000 52002.5535 -109407.1817 298.8594 -161409.7352 -109039.7548 299.6947 -29.7233 6.4970 761683.1363 4.9057 4.8829 PRESSURE: 3672200 301.446 116.932 -111.54 116.932 -219.164 -121.215 -111.541 -121.214 -205.891 GPRESSURE: 3672200 205.5 178.809 -99.7203 135.02 -60.2483 -60.5645 -90.4367 -68.8814 -201.151 PRESSAVG: 3672200 39.7374 -33.5781 -2.8186 -33.5781 -15.5139 -48.3919 -2.81854 -48.3919 25.8564 GPRESSAVG: 3672200 37.1201 -30.1882 -4.10869 -35.824 -13.7179 -47.7028 -2.32477 -47.0035 26.9127 TIMING: 3672200 CPU: 11472.3, 0.00311209/step Wall: 11472.3, 0.00311209/step, 1.14784 hours remaining, 234.890625 MB of memory in use. ENERGY: 3672200 3961.0451 20488.0216 14532.8073 248.2889 -203355.7214 2675.7567 0.0000 0.0000 52171.3507 -109278.4511 299.8295 -161449.8018 -108914.4498 298.8864 -41.2030 -18.6333 761653.4587 16.6933 16.7717 LDB: ============= START OF LOAD BALANCING ============== 11484.8 LDB: ============== END OF LOAD BALANCING =============== 11484.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11484.8 LDB: ============= START OF LOAD BALANCING ============== 11485.1 LDB: Largest compute 6998 load 0.029823 is 15.3% of average load 0.195192 LDB: Average compute 0.004388 is 2.2% of average load 0.195192 LDB: TIME 11485.1 LOAD: AVG 0.195192 MAX 0.215897 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.34 MB LDB: TIME 11485.1 LOAD: AVG 0.195192 MAX 0.215897 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.34 MB LDB: TIME 11485.1 LOAD: AVG 0.195192 MAX 0.215897 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.34 MB LDB: ============== END OF LOAD BALANCING =============== 11485.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11485.1 PRESSURE: 3672400 67.3315 182.725 -18.2164 182.725 -13.8584 -6.03123 -18.2153 -6.03129 62.7905 GPRESSURE: 3672400 161.148 48.6691 -64.449 218.927 -24.8736 -16.7666 87.2613 -5.00804 58.74 PRESSAVG: 3672400 -3.15901 -13.1133 47.1764 -13.1134 7.37072 -34.4591 47.1764 -34.4591 2.14713 GPRESSAVG: 3672400 -1.74081 -13.97 48.9784 -11.2533 5.9108 -34.9993 46.508 -34.5443 1.90739 TIMING: 3672400 CPU: 11473, 0.00317728/step Wall: 11473, 0.00317728/step, 1.17171 hours remaining, 234.953125 MB of memory in use. ENERGY: 3672400 3855.2135 20489.8357 14511.0895 244.0855 -202840.9229 2595.7947 0.0000 0.0000 52002.6001 -109142.3039 298.8597 -161144.9040 -108784.2118 299.3344 38.7545 65.0049 763550.1887 2.1196 2.0258 PRESSURE: 3672600 88.4669 244.132 246.406 244.132 80.9555 -116.711 246.406 -116.71 -150.892 GPRESSURE: 3672600 10.1285 123.286 221.307 175.011 163.129 -45.9833 209.3 11.667 -61.9556 PRESSAVG: 3672600 39.4954 18.3253 43.417 18.3252 4.74607 7.33028 43.417 7.33028 -4.15681 GPRESSAVG: 3672600 39.8849 16.5265 44.7231 17.0248 4.48498 6.92272 41.2668 6.50439 -4.19206 TIMING: 3672600 CPU: 11473.6, 0.00310622/step Wall: 11473.6, 0.00310622/step, 1.14533 hours remaining, 235.156250 MB of memory in use. ENERGY: 3672600 3990.2706 20561.2695 14403.2369 226.2953 -203263.4635 2582.5239 0.0000 0.0000 52221.0947 -109278.7726 300.1153 -161499.8673 -108921.1778 299.3471 6.1767 37.1008 761777.2005 13.3616 13.3926 PRESSURE: 3672800 51.2083 59.4619 -175.898 59.462 -109.634 259.575 -175.898 259.575 228.949 GPRESSURE: 3672800 116.77 97.4559 -94.8024 36.487 -8.3694 163.535 -123.78 249.198 164.11 PRESSAVG: 3672800 83.645 -40.4779 59.1822 -40.4778 -99.6824 6.13861 59.1821 6.13857 -8.60904 GPRESSAVG: 3672800 82.8086 -38.8437 57.1881 -41.7489 -98.0516 6.60537 61.0948 7.56542 -9.09057 TIMING: 3672800 CPU: 11474.2, 0.00312073/step Wall: 11474.2, 0.00312073/step, 1.15051 hours remaining, 235.156250 MB of memory in use. ENERGY: 3672800 3960.9059 20400.6519 14496.5392 255.1584 -203569.3432 2909.7086 0.0000 0.0000 52208.4833 -109337.8958 300.0429 -161546.3790 -108978.0648 298.8745 56.8410 90.8370 761976.2395 -8.2155 -8.1112 PRESSURE: 3673000 89.2484 -275.347 190.317 -275.346 126.235 -153.273 190.317 -153.273 42.0113 GPRESSURE: 3673000 213.13 -258.481 165.985 -145.181 123.452 -117.253 317.288 -87.1365 -12.4677 PRESSAVG: 3673000 -6.93257 13.1577 4.19002 13.1577 -10.7715 -29.4963 4.19001 -29.4963 12.3142 GPRESSAVG: 3673000 -3.70814 13.4906 4.57228 14.6308 -13.6144 -29.8645 4.85341 -31.5108 11.4979 TIMING: 3673000 CPU: 11474.8, 0.0031233/step Wall: 11474.8, 0.0031233/step, 1.15128 hours remaining, 235.156250 MB of memory in use. ENERGY: 3673000 4016.9376 20467.3660 14418.3453 245.4503 -203462.8492 2952.0037 0.0000 0.0000 52094.0649 -109268.6814 299.3853 -161362.7463 -108898.9211 299.3190 85.8315 108.0379 761123.4716 -1.7966 -1.9416 PRESSURE: 3673200 91.8676 33.3514 61.4763 33.3518 38.6113 36.7874 61.4757 36.7867 -31.7293 GPRESSURE: 3673200 16.7764 105.125 67.0288 62.7459 192.652 93.559 26.6436 128.397 -18.8468 PRESSAVG: 3673200 22.9551 21.7768 18.5466 21.7769 -86.8795 -18.7739 18.5467 -18.7738 23.5671 GPRESSAVG: 3673200 20.1276 20.6551 17.4584 23.6255 -84.5657 -16.5028 18.5231 -18.4231 24.1698 TIMING: 3673200 CPU: 11475.5, 0.00311405/step Wall: 11475.5, 0.00311405/step, 1.1477 hours remaining, 235.156250 MB of memory in use. ENERGY: 3673200 4023.9559 20602.9801 14485.3777 273.7914 -203570.7546 3058.7997 0.0000 0.0000 51862.4137 -109263.4361 298.0540 -161125.8498 -108921.0863 299.3855 32.9165 63.5273 764082.1639 -13.4524 -13.4228 PRESSURE: 3673400 -56.2118 95.8841 -184.725 95.8844 220.057 -121.918 -184.725 -121.917 307.963 GPRESSURE: 3673400 18.5871 39.5384 -7.37264 2.0846 160.253 -196.905 -248.871 -102.125 378.557 PRESSAVG: 3673400 48.5353 37.8781 1.04825 37.8782 -22.9465 -4.51875 1.04829 -4.51882 7.18433 GPRESSAVG: 3673400 48.2797 38.4609 2.39873 36.484 -23.8803 -5.5489 -0.319673 -3.18299 8.55715 TIMING: 3673400 CPU: 11476.1, 0.00311591/step Wall: 11476.1, 0.00311591/step, 1.14821 hours remaining, 235.156250 MB of memory in use. ENERGY: 3673400 4010.6401 20478.3692 14409.6629 243.4961 -203411.4149 2863.2826 0.0000 0.0000 51952.3108 -109453.6531 298.5706 -161405.9639 -109092.7148 299.0758 157.2694 185.7991 762059.3281 10.9244 10.9855 PRESSURE: 3673600 -442.479 83.652 278.597 83.653 -38.3775 -224.305 278.598 -224.307 135.726 GPRESSURE: 3673600 -297.921 -10.1935 284.579 280.915 -114.657 -162.051 188.635 -254.641 157.673 PRESSAVG: 3673600 43.8786 43.9458 -12.4855 43.9458 -58.0205 -1.21375 -12.4855 -1.21381 -19.4735 GPRESSAVG: 3673600 44.5327 44.1699 -13.7315 44.0361 -58.4015 -2.53055 -9.10466 -1.02426 -19.9811 TIMING: 3673600 CPU: 11476.7, 0.00311223/step Wall: 11476.7, 0.00311223/step, 1.14668 hours remaining, 235.156250 MB of memory in use. ENERGY: 3673600 4015.4494 20729.4098 14437.0227 258.7133 -203325.9409 2381.5383 0.0000 0.0000 51985.5590 -109518.2484 298.7617 -161503.8075 -109164.1557 298.6804 -115.0434 -84.9683 762271.2424 -11.2051 -11.2833 PRESSURE: 3673800 -98.9403 144.158 185.035 144.158 99.1701 146.88 185.036 146.88 -134.001 GPRESSURE: 3673800 -1.49448 107.648 224.895 84.9669 134.577 152.032 171.275 130.331 -159.47 PRESSAVG: 3673800 24.0315 5.93182 41.5587 5.93182 -65.9425 -31.2085 41.5587 -31.2084 7.83944 GPRESSAVG: 3673800 24.0456 6.91119 42.7893 5.09631 -65.6999 -28.8872 37.0832 -33.8945 7.49789 TIMING: 3673800 CPU: 11477.3, 0.00311725/step Wall: 11477.3, 0.00311725/step, 1.14836 hours remaining, 235.156250 MB of memory in use. ENERGY: 3673800 4059.1404 20542.6150 14432.6106 249.8273 -203512.3420 2713.6002 0.0000 0.0000 51861.4331 -109653.1153 298.0484 -161514.5484 -109283.4598 298.5498 -44.5905 -8.7958 762825.7646 -11.3572 -11.3855 PRESSURE: 3674000 -30.8351 140.772 89.3124 140.772 -396.961 -108.377 89.312 -108.376 44.8764 GPRESSURE: 3674000 -11.7945 39.2285 -78.294 172.723 -336.331 -3.81507 149.489 3.73471 46.9251 PRESSAVG: 3674000 23.4784 -21.9515 -4.94554 -21.9515 -43.835 -5.37859 -4.94557 -5.37863 2.45217 GPRESSAVG: 3674000 21.8932 -23.2511 -4.18522 -21.3572 -43.0121 -7.41895 -2.22825 -2.29679 2.71909 TIMING: 3674000 CPU: 11478, 0.00314041/step Wall: 11478, 0.00314041/step, 1.15672 hours remaining, 235.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3674000 4088.3859 20613.5844 14338.5122 247.9535 -203859.9269 2857.5558 0.0000 0.0000 52184.0449 -109529.8901 299.9024 -161713.9350 -109169.8545 299.2950 -127.6400 -100.4001 763789.6327 -5.9681 -6.1333 PRESSURE: 3674200 -286.67 67.1733 91.6363 67.1736 -124.568 0.111677 91.6369 0.11296 -121.367 GPRESSURE: 3674200 -326.77 151.33 124.842 -29.3592 -53.1945 -88.5636 105.621 57.3078 -82.5712 PRESSAVG: 3674200 125.177 -14.2732 -1.50807 -14.2732 -114.072 -39.8481 -1.50799 -39.8481 7.30625 GPRESSAVG: 3674200 127.026 -13.2955 -3.87376 -13.6688 -115.796 -38.8103 -2.21395 -39.4467 7.03938 TIMING: 3674200 CPU: 11478.6, 0.00313493/step Wall: 11478.6, 0.00313493/step, 1.15452 hours remaining, 235.156250 MB of memory in use. ENERGY: 3674200 4016.6081 20481.2092 14425.1371 243.0075 -203088.6723 2406.2197 0.0000 0.0000 52063.4231 -109453.0675 299.2092 -161516.4906 -109087.6280 298.8756 -177.5349 -154.1785 764520.8111 6.1369 6.0899 PRESSURE: 3674400 -107.484 22.1632 46.2016 22.1626 117.911 197.267 46.2018 197.268 13.8596 GPRESSURE: 3674400 -14.3739 86.733 70.2691 88.5034 99.5303 282.275 -9.3568 177.147 24.1859 PRESSAVG: 3674400 73.1338 -8.80257 23.5914 -8.80262 -52.5943 -10.8129 23.5914 -10.813 -32.4846 GPRESSAVG: 3674400 73.3043 -9.30011 25.2704 -8.1889 -52.1466 -12.1027 23.3982 -10.3784 -32.8397 TIMING: 3674400 CPU: 11479.2, 0.00311767/step Wall: 11479.2, 0.00311767/step, 1.14799 hours remaining, 235.156250 MB of memory in use. ENERGY: 3674400 4048.2701 20333.1400 14452.9019 254.9649 -203569.8748 2806.1046 0.0000 0.0000 52048.5558 -109625.9374 299.1238 -161674.4932 -109269.9022 298.5471 8.0957 36.4475 764136.5125 -3.9817 -3.8940 PRESSURE: 3674600 73.9889 88.7912 -210.988 88.7915 -73.3991 -126.426 -210.988 -126.426 -20.8127 GPRESSURE: 3674600 99.1526 66.2398 -191.75 104.1 20.0032 -131.104 -142.568 -108.22 -51.4603 PRESSAVG: 3674600 -9.51839 -3.24299 -24.6879 -3.24297 29.6866 -31.6413 -24.6879 -31.6413 -16.5454 GPRESSAVG: 3674600 -10.1012 -3.35797 -25.0758 -3.6534 29.394 -31.3534 -23.6433 -33.9787 -15.4908 TIMING: 3674600 CPU: 11479.8, 0.00312462/step Wall: 11479.8, 0.00312462/step, 1.15038 hours remaining, 235.156250 MB of memory in use. ENERGY: 3674600 3929.7848 20356.7249 14427.2913 242.1344 -203889.2193 3001.1756 0.0000 0.0000 52232.4228 -109699.6856 300.1805 -161932.1084 -109328.1903 298.6583 -6.7410 22.5652 763303.1709 1.2076 1.2673 PRESSURE: 3674800 150.299 -158.107 -336.351 -158.107 -194.082 -60.1762 -336.351 -60.1761 -162.195 GPRESSURE: 3674800 153.968 -151.278 -278.867 -23.9278 -65.7517 -73.8401 -260.723 -75.6882 -201.255 PRESSAVG: 3674800 -52.3738 22.4621 -0.00410569 22.4621 4.64262 3.82959 -0.00416929 3.82967 11.2341 GPRESSAVG: 3674800 -52.1832 23.4411 -1.15682 23.1185 5.44624 3.53369 -2.57237 5.00476 10.8499 TIMING: 3674800 CPU: 11480.5, 0.00311968/step Wall: 11480.5, 0.00311967/step, 1.14839 hours remaining, 235.156250 MB of memory in use. ENERGY: 3674800 4016.2561 20625.5677 14481.7943 251.7762 -203599.6143 2832.4306 0.0000 0.0000 51931.7908 -109459.9986 298.4527 -161391.7894 -109103.8778 298.8009 -68.6595 -37.6797 763805.1884 -12.1657 -11.9624 PRESSURE: 3675000 -182.532 16.538 107.144 16.5381 -87.1665 -165.696 107.144 -165.696 -106.118 GPRESSURE: 3675000 -190.954 -18.1191 94.8013 17.8577 26.4174 -266.064 83.2349 -206.422 -139.343 PRESSAVG: 3675000 13.7802 1.7597 -11.6346 1.7597 -3.19504 -30.9554 -11.6346 -30.9555 16.0366 GPRESSAVG: 3675000 14.2254 1.26341 -9.96606 2.83689 -3.19237 -32.0253 -9.75576 -29.8446 15.3888 TIMING: 3675000 CPU: 11481.1, 0.00311172/step Wall: 11481.1, 0.00311172/step, 1.14528 hours remaining, 235.156250 MB of memory in use. ENERGY: 3675000 4030.6580 20588.2889 14397.4627 239.0898 -203461.0736 2700.6363 0.0000 0.0000 52396.5822 -109108.3556 301.1239 -161504.9378 -108753.1534 299.2849 -125.2722 -101.2931 763724.5711 8.8739 8.8073 PRESSURE: 3675200 125.564 163.97 0.878349 163.97 143.091 54.9637 0.87949 54.9636 -279.237 GPRESSURE: 3675200 153.151 29.8013 2.88736 163.468 235.339 33.1125 -42.6232 43.5529 -313.142 PRESSAVG: 3675200 12.9381 46.2604 -19.6447 46.2603 8.98746 -32.8426 -19.6447 -32.8426 -3.30619 GPRESSAVG: 3675200 13.5491 48.6353 -21.8865 43.3632 7.87198 -32.0422 -20.1813 -35.9706 -2.80451 TIMING: 3675200 CPU: 11481.7, 0.00309516/step Wall: 11481.7, 0.00309516/step, 1.13902 hours remaining, 235.156250 MB of memory in use. ENERGY: 3675200 4029.5119 20436.0985 14484.3155 231.7103 -203083.9566 2569.1405 0.0000 0.0000 52097.0087 -109236.1712 299.4022 -161333.1799 -108863.6054 299.3987 -3.5273 25.1160 762017.1345 6.2064 6.2055 PRESSURE: 3675400 -344.912 -0.626414 79.1245 -0.628063 -36.3511 125.608 79.1235 125.607 -48.6096 GPRESSURE: 3675400 -241.309 11.716 84.1617 -64.5904 -102.645 171.904 187.718 120.508 -15.7606 PRESSAVG: 3675400 -19.1888 -6.62502 -14.2486 -6.62504 -0.360139 -17.6534 -14.2486 -17.6534 20.7806 GPRESSAVG: 3675400 -18.3393 -7.90941 -14.2932 -4.85931 -0.299129 -17.8599 -14.0916 -15.8512 20.2084 TIMING: 3675400 CPU: 11482.3, 0.00310433/step Wall: 11482.3, 0.00310433/step, 1.14222 hours remaining, 235.156250 MB of memory in use. ENERGY: 3675400 4016.3372 20555.7344 14537.1837 249.1057 -203324.0372 2595.0277 0.0000 0.0000 51934.7411 -109435.9075 298.4697 -161370.6486 -109073.9748 299.4521 -143.2908 -119.9050 762543.9338 0.4106 0.5233 PRESSURE: 3675600 109.759 273.775 147.497 273.775 115.891 -274.325 147.497 -274.325 -127.899 GPRESSURE: 3675600 150.372 226.245 132.988 139.596 106.865 -285.985 -27.8587 -98.0985 -77.3609 PRESSAVG: 3675600 -13.361 -29.4319 18.9496 -29.4319 23.9491 -47.5361 18.9496 -47.536 -3.11151 GPRESSAVG: 3675600 -12.9211 -30.1317 18.2007 -31.7071 23.7681 -46.0745 20.3695 -46.4568 -2.92678 TIMING: 3675600 CPU: 11482.9, 0.00311302/step Wall: 11482.9, 0.00311302/step, 1.14525 hours remaining, 235.156250 MB of memory in use. ENERGY: 3675600 4109.0902 20496.8013 14426.3088 264.0838 -203453.8384 2593.2610 0.0000 0.0000 52169.7733 -109394.5201 299.8204 -161564.2933 -109037.3369 299.3827 32.5836 59.9585 761921.0908 2.4922 2.6401 PRESSURE: 3675800 -187.377 -40.8478 111.118 -40.8476 -195.048 193.14 111.119 193.14 -34.3451 GPRESSURE: 3675800 -248.615 -67.2672 155.299 107.326 -122.506 124.352 119.364 156.034 30.1911 PRESSAVG: 3675800 -23.7658 16.7675 -7.20231 16.7675 17.8976 -43.2321 -7.20229 -43.232 -8.27007 GPRESSAVG: 3675800 -24.0605 15.7523 -7.21846 19.2319 17.696 -43.97 -7.79159 -41.7807 -7.88267 TIMING: 3675800 CPU: 11483.6, 0.00312562/step Wall: 11483.6, 0.00312562/step, 1.14971 hours remaining, 235.156250 MB of memory in use. ENERGY: 3675800 4032.4829 20648.2898 14516.1379 243.3949 -203487.8236 2569.3264 0.0000 0.0000 52086.0528 -109392.1388 299.3393 -161478.1917 -109037.6309 299.1796 -138.9234 -113.6433 762516.9159 -4.7128 -4.7491 PRESSURE: 3676000 -247.693 7.02803 157.576 7.02683 -263.931 -317.637 157.576 -317.636 -298.653 GPRESSURE: 3676000 -259.812 33.6676 171.285 -35.6262 -133.333 -385.626 -41.7689 -156.061 -330.831 PRESSAVG: 3676000 27.2981 -5.38097 38.5086 -5.381 -52.211 14.4707 38.5087 14.4708 15.2268 GPRESSAVG: 3676000 27.2876 -5.14416 40.8203 -5.43322 -51.7526 15.7626 38.359 10.6203 14.9204 TIMING: 3676000 CPU: 11484.2, 0.00313088/step Wall: 11484.2, 0.00313088/step, 1.15147 hours remaining, 235.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3676000 3996.6751 20585.4225 14433.4893 249.8923 -203222.5082 2322.0995 0.0000 0.0000 52292.2421 -109342.6874 300.5242 -161634.9295 -108973.0063 298.8434 -270.0921 -241.3253 763233.5363 -3.2287 -3.1815 PRESSURE: 3676200 -282.025 11.4948 -193.29 11.4949 95.4791 45.5017 -193.288 45.5016 13.9759 GPRESSURE: 3676200 -268.436 32.6251 -193.392 -30.0083 167.161 35.1132 -254.221 134.647 18.3922 PRESSAVG: 3676200 42.589 28.1398 50.5267 28.1398 -42.9866 18.7939 50.5267 18.794 -10.0838 GPRESSAVG: 3676200 42.2453 31.0978 49.8067 25.8365 -42.4941 17.9552 50.2585 20.7368 -10.1603 TIMING: 3676200 CPU: 11484.8, 0.00312374/step Wall: 11484.8, 0.00312374/step, 1.14867 hours remaining, 235.156250 MB of memory in use. ENERGY: 3676200 4050.3261 20578.4408 14428.1523 263.1745 -203511.2613 2738.9810 0.0000 0.0000 52193.6863 -109258.5003 299.9578 -161452.1867 -108895.7547 299.9034 -57.5234 -27.6275 760790.9286 -3.4938 -3.4697 LDB: ============= START OF LOAD BALANCING ============== 11497.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11497.3 LDB: =============== DONE WITH MIGRATION ================ 11497.3 LDB: ============= START OF LOAD BALANCING ============== 11497.6 LDB: Largest compute 6998 load 0.030220 is 15.5% of average load 0.195168 LDB: Average compute 0.004372 is 2.2% of average load 0.195168 LDB: TIME 11497.6 LOAD: AVG 0.195168 MAX 0.212921 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.055 MB LDB: TIME 11497.6 LOAD: AVG 0.195168 MAX 0.212921 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: TIME 11497.6 LOAD: AVG 0.195168 MAX 0.212921 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.254 MB LDB: ============== END OF LOAD BALANCING =============== 11497.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11497.6 PRESSURE: 3676400 -396.138 -82.5945 67.3361 -82.5941 -361.438 -215.8 67.3368 -215.8 -177.885 GPRESSURE: 3676400 -335.538 -156.091 1.07316 -73.0717 -361.193 -244.128 8.74929 -311.807 -136.879 PRESSAVG: 3676400 -10.7898 -13.2468 26.5532 -13.2468 11.4336 20.281 26.5532 20.281 -1.79873 GPRESSAVG: 3676400 -12.7861 -14.3317 26.5255 -11.8382 12.0713 20.3582 25.0303 18.4974 -0.725148 TIMING: 3676400 CPU: 11485.5, 0.00319721/step Wall: 11485.5, 0.00319721/step, 1.17551 hours remaining, 233.601562 MB of memory in use. ENERGY: 3676400 3970.5852 20579.2714 14497.5684 256.0676 -203297.9908 2685.7433 0.0000 0.0000 52219.5846 -109089.1704 300.1067 -161308.7550 -108724.2825 299.5247 -311.8206 -277.8702 763956.6695 -0.3850 -0.4800 PRESSURE: 3676600 -17.2898 -48.2829 -153.808 -48.2834 125.207 56.9786 -153.808 56.9781 415.961 GPRESSURE: 3676600 80.4578 -112.832 -145.541 70.4692 164.567 58.0641 35.299 177.289 389.687 PRESSAVG: 3676600 -5.82272 -8.90137 60.1664 -8.90132 20.6611 -29.7777 60.1664 -29.7777 3.04506 GPRESSAVG: 3676600 -5.17516 -10.8389 61.2718 -6.96092 21.121 -30.7322 63.1199 -29.4623 2.05176 TIMING: 3676600 CPU: 11486.1, 0.00313849/step Wall: 11486.1, 0.00313849/step, 1.15374 hours remaining, 233.601562 MB of memory in use. ENERGY: 3676600 3884.0896 20514.7272 14531.3580 245.7798 -202985.5393 2575.6921 0.0000 0.0000 52115.8019 -109118.0907 299.5102 -161233.8926 -108751.9335 299.8486 174.6259 211.5707 763346.1104 5.9611 5.9992 PRESSURE: 3676800 -72.3676 -130.786 -77.7312 -130.786 308.586 66.0837 -77.7317 66.0839 -147.699 GPRESSURE: 3676800 -0.0771501 34.0914 -81.6894 -89.586 235.153 -24.7651 -39.7492 55.96 -83.3309 PRESSAVG: 3676800 -39.1376 -28.5229 3.23101 -28.523 9.8959 -20.9563 3.23105 -20.9563 8.04569 GPRESSAVG: 3676800 -38.9909 -26.631 2.84662 -30.4136 8.88504 -21.026 2.50853 -18.3818 8.97111 TIMING: 3676800 CPU: 11486.7, 0.00312469/step Wall: 11486.7, 0.00312469/step, 1.1485 hours remaining, 233.601562 MB of memory in use. ENERGY: 3676800 3968.0396 20649.9610 14423.0130 253.1594 -203423.1009 2754.2358 0.0000 0.0000 52219.1225 -109155.5696 300.1040 -161374.6921 -108791.9767 299.4892 29.5064 50.5815 763390.1933 -7.0653 -7.0449 PRESSURE: 3677000 29.1543 202.441 -15.5263 202.442 -152.532 -249.587 -15.5263 -249.587 -6.26489 GPRESSURE: 3677000 26.3111 163.127 -15.1969 141.514 -97.6126 -162.327 69.4624 -295.387 35.9841 PRESSAVG: 3677000 -5.16804 8.36699 -10.8918 8.36699 42.9202 8.49156 -10.8918 8.49166 7.73017 GPRESSAVG: 3677000 -5.01084 8.28568 -10.3203 9.28717 43.4823 10.6876 -12.4436 5.02627 7.4127 TIMING: 3677000 CPU: 11487.3, 0.00312459/step Wall: 11487.3, 0.00312459/step, 1.14829 hours remaining, 233.601562 MB of memory in use. ENERGY: 3677000 4065.0393 20591.4206 14554.3808 250.0550 -203699.2414 2953.5332 0.0000 0.0000 52207.0440 -109077.7685 300.0346 -161284.8125 -108719.3070 299.8574 -43.2143 -11.7725 762827.2256 15.1608 15.2947 PRESSURE: 3677200 -429.333 130.794 17.2222 130.793 175.935 -44.8885 17.2216 -44.889 -120.292 GPRESSURE: 3677200 -435.098 217.413 26.9411 132.982 260.402 71.5348 23.0341 -10.5104 -127.029 PRESSAVG: 3677200 1.26112 16.2496 33.4437 16.2496 -53.4282 2.8034 33.4436 2.80339 -24.306 GPRESSAVG: 3677200 1.58655 14.8108 30.6221 16.4675 -52.9154 1.18964 35.6428 5.54667 -24.6828 TIMING: 3677200 CPU: 11488, 0.0031174/step Wall: 11488, 0.0031174/step, 1.14547 hours remaining, 233.601562 MB of memory in use. ENERGY: 3677200 4118.1843 20481.2807 14471.0584 255.4798 -203491.9891 3013.6379 0.0000 0.0000 52103.0300 -109049.3181 299.4368 -161152.3481 -108680.7403 300.0705 -124.5632 -100.5753 763700.8712 -25.4910 -25.3372 PRESSURE: 3677400 -275.803 123.564 -18.3329 123.564 -4.9599 104.973 -18.3327 104.973 -272.278 GPRESSURE: 3677400 -256.344 62.9811 -15.7308 29.4493 30.4293 53.1394 -18.7357 111.904 -249.639 PRESSAVG: 3677400 28.9018 -11.9596 32.2089 -11.9596 -25.9369 -11.1672 32.2089 -11.1672 12.6985 GPRESSAVG: 3677400 28.6802 -10.6863 35.0063 -12.3306 -26.5506 -11.6744 29.2685 -10.5192 13.8322 TIMING: 3677400 CPU: 11488.6, 0.00310688/step Wall: 11488.6, 0.00310688/step, 1.14143 hours remaining, 233.601562 MB of memory in use. ENERGY: 3677400 4032.3498 20542.7324 14491.6954 255.8932 -203588.7459 2851.3466 0.0000 0.0000 52143.4555 -109271.2730 299.6692 -161414.7285 -108902.8441 299.9078 -184.3470 -158.5179 764010.4556 5.2211 5.3206 PRESSURE: 3677600 69.6679 -167.024 -270.089 -167.023 -221.689 -52.9514 -270.089 -52.9514 88.7197 GPRESSURE: 3677600 57.4511 -209.147 -239.517 -201.574 -82.9354 -37.0104 -147.326 -146.279 65.2824 PRESSAVG: 3677600 6.34977 -46.5626 53.4373 -46.5626 13.4939 -22.1548 53.4373 -22.1548 4.04393 GPRESSAVG: 3677600 4.66639 -45.7756 52.6468 -46.3274 14.439 -21.0651 54.1095 -24.2031 4.18504 TIMING: 3677600 CPU: 11489.2, 0.00311663/step Wall: 11489.2, 0.00311663/step, 1.14484 hours remaining, 233.601562 MB of memory in use. ENERGY: 3677600 3933.7434 20669.8011 14492.2033 247.1411 -203418.1980 2778.0586 0.0000 0.0000 51890.1080 -109407.1427 298.2132 -161297.2507 -109044.3168 298.7692 -21.1004 13.2660 762668.9405 7.9625 7.7635 PRESSURE: 3677800 -0.286692 -179.644 -69.5584 -179.644 158.077 18.046 -69.559 18.0466 -23.5743 GPRESSURE: 3677800 -18.1758 -32.0693 -144.89 -170.67 217.287 56.8509 -47.2775 -16.9929 19.8972 PRESSAVG: 3677800 -29.7712 -0.501557 5.20751 -0.50153 -31.6274 1.62318 5.20748 1.62314 -10.3222 GPRESSAVG: 3677800 -28.3343 -1.79001 4.86352 -0.545161 -31.7996 1.10649 5.29796 2.1827 -11.7382 TIMING: 3677800 CPU: 11489.8, 0.00311728/step Wall: 11489.8, 0.00311728/step, 1.14491 hours remaining, 233.601562 MB of memory in use. ENERGY: 3677800 3946.4618 20352.7620 14514.6285 242.3630 -203877.7153 3068.1498 0.0000 0.0000 52200.5629 -109552.7872 299.9974 -161753.3501 -109176.3253 298.8880 44.7385 73.0028 763096.0128 -23.9070 -23.9573 PRESSURE: 3678000 81.1476 -29.3776 -24.6704 -29.3784 174.453 -305.977 -24.6708 -305.977 -211.352 GPRESSURE: 3678000 112.921 -141.643 77.3395 -37.459 154.031 -318.37 39.8544 -288.295 -150.777 PRESSAVG: 3678000 62.1466 2.49192 0.930034 2.49191 -26.6737 34.4836 0.929962 34.4838 4.85028 GPRESSAVG: 3678000 62.0112 3.56847 1.52123 2.45862 -25.8078 35.9253 2.65747 35.5072 4.82352 TIMING: 3678000 CPU: 11490.5, 0.00311241/step Wall: 11490.5, 0.00311241/step, 1.14295 hours remaining, 233.601562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3678000 4012.8417 20448.5243 14479.7372 235.5030 -203549.8164 2800.7791 0.0000 0.0000 52065.9694 -109506.4616 299.2238 -161572.4310 -109148.1899 298.8670 14.7496 38.7252 763785.2769 13.4410 13.6757 PRESSURE: 3678200 -130.55 30.4673 -139.164 30.4671 -18.6777 -86.8245 -139.164 -86.8249 50.069 GPRESSURE: 3678200 -159.587 86.1721 -206.766 45.5084 44.657 -105.873 -182.381 -114.665 94.925 PRESSAVG: 3678200 67.3034 46.2482 -20.6213 46.2481 -21.6795 59.1186 -20.6213 59.1186 20.9576 GPRESSAVG: 3678200 67.2118 45.8051 -21.6766 45.406 -23.0744 57.0425 -21.9621 59.3002 21.8629 TIMING: 3678200 CPU: 11491.1, 0.00310498/step Wall: 11491.1, 0.00310498/step, 1.14005 hours remaining, 233.601562 MB of memory in use. ENERGY: 3678200 3943.9620 20584.4660 14481.4583 253.6209 -203093.0448 2567.5613 0.0000 0.0000 51842.5262 -109419.4501 297.9397 -161261.9763 -109065.0672 299.1726 -33.0531 -6.6683 762861.3481 22.1938 22.0001 PRESSURE: 3678400 -173.032 175.495 46.0164 175.495 -438.796 32.2365 46.0163 32.2366 149.638 GPRESSURE: 3678400 -171.889 118.58 12.6322 231.106 -292.424 -53.388 50.2635 105.42 115.831 PRESSAVG: 3678400 -34.9142 2.95486 -11.8612 2.95478 43.3286 75.1517 -11.8613 75.1517 9.67194 GPRESSAVG: 3678400 -35.1653 2.23498 -11.414 2.73172 43.7928 74.616 -10.1765 74.9966 8.82576 TIMING: 3678400 CPU: 11491.7, 0.00311741/step Wall: 11491.7, 0.00311741/step, 1.14444 hours remaining, 233.601562 MB of memory in use. ENERGY: 3678400 4047.7763 20090.8589 14504.1859 229.8476 -203640.5605 2857.3834 0.0000 0.0000 52275.3202 -109635.1883 300.4270 -161910.5085 -109277.9506 298.6620 -154.0633 -116.1607 762654.2016 6.0288 5.8178 PRESSURE: 3678600 -208.181 20.9655 -15.3025 20.9648 489.669 22.1379 -15.3025 22.138 441.685 GPRESSURE: 3678600 -21.0201 12.2899 28.6855 48.9723 365.016 39.7478 73.9364 -10.9718 471.72 PRESSAVG: 3678600 -1.32834 -12.8711 54.3959 -12.8711 -18.331 33.6426 54.3958 33.6427 2.17825 GPRESSAVG: 3678600 -0.191119 -12.689 55.3674 -10.6406 -19.5861 34.6227 53.2478 34.3703 2.04911 TIMING: 3678600 CPU: 11492.3, 0.00310737/step Wall: 11492.3, 0.00310737/step, 1.14058 hours remaining, 233.601562 MB of memory in use. ENERGY: 3678600 4002.1201 20484.8124 14484.0263 246.7710 -203294.2205 2791.0683 0.0000 0.0000 51697.5543 -109587.8680 297.1066 -161285.4223 -109240.2063 298.1022 241.0576 271.9054 762176.8888 -5.8270 -5.9094 PRESSURE: 3678800 -144.502 -98.8895 297.598 -98.8895 -211.709 381.56 297.598 381.562 -473.62 GPRESSURE: 3678800 -70.4468 -50.0529 243.149 -257.644 -278.111 368.492 197.095 325.821 -384.884 PRESSAVG: 3678800 36.7715 -25.8763 43.2344 -25.8763 -71.7419 25.4191 43.2343 25.419 -2.07877 GPRESSAVG: 3678800 35.6896 -27.4682 42.4337 -25.9678 -70.4004 25.6556 43.5608 22.9612 -1.48965 TIMING: 3678800 CPU: 11492.9, 0.00311079/step Wall: 11492.9, 0.00311079/step, 1.14166 hours remaining, 233.601562 MB of memory in use. ENERGY: 3678800 4043.6274 20424.9280 14439.7298 252.2172 -203430.2318 2615.7584 0.0000 0.0000 51920.2584 -109733.7126 298.3864 -161653.9710 -109380.8601 297.8517 -276.6103 -244.4806 763695.7692 -12.3497 -12.0668 PRESSURE: 3679000 158.089 81.9368 -132.23 81.9364 281.203 148.497 -132.231 148.497 467.274 GPRESSURE: 3679000 209.711 125.781 -169.771 -19.1561 258.772 227.3 -162.218 8.35264 503.842 PRESSAVG: 3679000 -17.1547 -18.4221 11.1348 -18.4221 -11.2725 -1.9732 11.1348 -1.9732 -0.337116 GPRESSAVG: 3679000 -16.818 -17.7552 11.1998 -20.5585 -10.865 -1.81154 10.8579 -3.14223 -0.700434 TIMING: 3679000 CPU: 11493.6, 0.00311653/step Wall: 11493.6, 0.00311653/step, 1.14359 hours remaining, 233.601562 MB of memory in use. ENERGY: 3679000 3890.2528 20568.4552 14514.1469 270.1138 -204195.3931 3418.4142 0.0000 0.0000 52024.4967 -109509.5135 298.9855 -161534.0102 -109163.2799 298.4212 302.1886 324.1086 763780.0112 -9.5881 -9.4612 PRESSURE: 3679200 31.6231 -45.9117 114.662 -45.9113 -410.348 139.573 114.663 139.573 -619.316 GPRESSURE: 3679200 52.4494 -24.0169 134.634 101.07 -375.399 124.671 130.412 213.889 -604.244 PRESSAVG: 3679200 -5.3467 6.56489 29.2044 6.56489 11.1802 27.7589 29.2045 27.7589 4.39058 GPRESSAVG: 3679200 -5.68674 6.39499 28.8217 8.1441 11.4646 26.9363 29.1631 31.0933 3.87075 TIMING: 3679200 CPU: 11494.2, 0.00310498/step Wall: 11494.2, 0.00310498/step, 1.13918 hours remaining, 233.601562 MB of memory in use. ENERGY: 3679200 4018.7621 20641.0296 14490.7033 254.4452 -203086.1606 2449.0344 0.0000 0.0000 51889.1850 -109343.0011 298.2079 -161232.1861 -108983.1673 298.9258 -332.6800 -309.0647 763685.8147 3.4080 3.2162 PRESSURE: 3679400 -164.416 -114.004 110.261 -114.004 358.155 87.7811 110.262 87.7805 -205.52 GPRESSURE: 3679400 -139.594 -147.407 178.933 -146.926 287.841 102.708 140.218 161.607 -80.0468 PRESSAVG: 3679400 -4.45535 5.77661 30.0254 5.77656 10.3154 -1.96516 30.0254 -1.96522 -16.1687 GPRESSAVG: 3679400 -5.20321 3.64405 30.0906 4.54636 10.6562 -1.65182 31.5931 -4.24696 -15.7194 TIMING: 3679400 CPU: 11494.8, 0.00314214/step Wall: 11494.8, 0.00314214/step, 1.15264 hours remaining, 233.601562 MB of memory in use. ENERGY: 3679400 3997.9009 20595.4590 14457.8412 251.4751 -203316.1756 2900.0856 0.0000 0.0000 51767.5483 -109345.8654 297.5088 -161113.4137 -108983.3393 299.2624 -3.9271 22.7334 762654.0310 -3.4362 -3.4222 PRESSURE: 3679600 -66.8382 213.954 -28.8958 213.954 63.7802 -55.8315 -28.8966 -55.8323 124.939 GPRESSURE: 3679600 -107.838 249.496 -0.98961 194.129 101.035 -93.2 70.028 -129.755 206.229 PRESSAVG: 3679600 -6.19657 -7.82369 -4.32935 -7.8237 3.74736 -56.6443 -4.32937 -56.6443 17.8209 GPRESSAVG: 3679600 -5.96785 -5.90162 -4.78476 -7.92774 3.96438 -58.8163 -4.3717 -56.2338 17.4417 TIMING: 3679600 CPU: 11495.4, 0.00312488/step Wall: 11495.4, 0.00312488/step, 1.14614 hours remaining, 233.601562 MB of memory in use. ENERGY: 3679600 3988.8043 20600.8639 14496.3667 245.2199 -203536.0678 2801.9910 0.0000 0.0000 52127.8745 -109274.9476 299.5796 -161402.8221 -108913.9707 299.0498 40.6269 66.4754 762703.4657 5.1239 5.1461 PRESSURE: 3679800 56.5439 0.0379449 -23.2187 0.0371157 440.722 -167.404 -23.2176 -167.403 370.395 GPRESSURE: 3679800 118.399 20.505 -44.1904 34.784 434.831 -70.2685 -11.1002 -206.291 396.347 PRESSAVG: 3679800 1.62544 42.9789 13.4651 42.9789 -15.9155 9.5664 13.465 9.5664 -8.12905 GPRESSAVG: 3679800 1.4444 43.4842 13.6722 44.4893 -16.2043 10.9114 13.1641 9.59195 -8.06902 TIMING: 3679800 CPU: 11496.1, 0.00310767/step Wall: 11496.1, 0.00310767/step, 1.13965 hours remaining, 233.601562 MB of memory in use. ENERGY: 3679800 3951.6204 20533.1389 14541.4174 253.5380 -203419.5557 2978.0672 0.0000 0.0000 52159.2688 -109002.5049 299.7600 -161161.7737 -108645.5192 299.6236 289.2201 316.5256 764758.2363 -7.4731 -7.6096 PRESSURE: 3680000 132.639 -64.059 232.674 -64.059 -174.271 -42.554 232.673 -42.5538 440.274 GPRESSURE: 3680000 110.245 -66.8513 355.748 111.298 -34.958 -25.3322 38.6677 -61.3751 408.057 PRESSAVG: 3680000 -35.2409 42.0237 -12.7989 42.0238 -4.44483 -0.0324197 -12.7989 -0.0323902 11.3254 GPRESSAVG: 3680000 -34.6588 41.7238 -11.2554 40.4744 -4.45045 0.282616 -13.5053 -0.168806 10.7854 TIMING: 3680000 CPU: 11496.7, 0.0031246/step Wall: 11496.7, 0.0031246/step, 1.14569 hours remaining, 233.601562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3680000 4013.0697 20578.5202 14519.5755 239.7681 -203426.4194 2894.0841 0.0000 0.0000 52126.8405 -109054.5612 299.5737 -161181.4017 -108693.0618 299.4749 132.8805 161.1148 765428.4486 -9.4534 -9.4413 PRESSURE: 3680200 75.7775 56.5852 370.039 56.5847 -4.0796 5.09102 370.039 5.09234 -19.0959 GPRESSURE: 3680200 73.8795 82.64 400.166 -4.07639 68.923 -66.2946 317.858 168.556 -26.5513 PRESSAVG: 3680200 -30.1906 8.21605 34.2291 8.21602 48.6322 -0.18241 34.229 -0.182423 -11.5569 GPRESSAVG: 3680200 -29.9893 7.39156 32.7817 9.64857 48.4738 -0.600248 35.1089 -0.197362 -11.5694 TIMING: 3680200 CPU: 11497.3, 0.00312088/step Wall: 11497.3, 0.00312088/step, 1.14415 hours remaining, 233.601562 MB of memory in use. ENERGY: 3680200 4011.5714 20582.8118 14506.0684 226.7895 -203961.2903 3143.6509 0.0000 0.0000 52216.6809 -109273.7174 300.0900 -161490.3984 -108913.6106 299.5755 17.5340 38.7504 764046.5260 2.2949 2.3050 LDB: ============= START OF LOAD BALANCING ============== 11509.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11509.8 LDB: =============== DONE WITH MIGRATION ================ 11509.8 LDB: ============= START OF LOAD BALANCING ============== 11510.1 LDB: Largest compute 7007 load 0.028404 is 14.6% of average load 0.195176 LDB: Average compute 0.004373 is 2.2% of average load 0.195176 LDB: TIME 11510.1 LOAD: AVG 0.195176 MAX 0.213636 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.828 MB LDB: TIME 11510.1 LOAD: AVG 0.195176 MAX 0.213636 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.828 MB LDB: TIME 11510.1 LOAD: AVG 0.195176 MAX 0.213636 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.828 MB LDB: ============== END OF LOAD BALANCING =============== 11510.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11510.1 PRESSURE: 3680400 -70.4542 118.263 10.0842 118.263 208.013 -112.628 10.0849 -112.628 38.115 GPRESSURE: 3680400 99.791 147.385 -41.6369 142.402 115.413 -35.6581 90.9674 -153.162 17.6251 PRESSAVG: 3680400 -55.8568 51.3815 39.4979 51.3816 39.1892 17.7314 39.4979 17.7314 7.252 GPRESSAVG: 3680400 -53.8406 50.3688 40.1266 50.2626 37.9046 17.2902 37.687 17.6431 6.19788 TIMING: 3680400 CPU: 11497.9, 0.00318874/step Wall: 11497.9, 0.00318874/step, 1.16885 hours remaining, 234.257812 MB of memory in use. ENERGY: 3680400 3907.1559 20499.5213 14426.6652 236.6639 -203792.4971 3039.7794 0.0000 0.0000 52482.6519 -109200.0595 301.6185 -161682.7114 -108837.1402 299.6940 58.5579 77.6097 763109.7512 -3.1385 -3.2460 PRESSURE: 3680600 221.946 -169.854 -17.5731 -169.853 -70.1719 2.01172 -17.5726 2.01106 136.908 GPRESSURE: 3680600 215.257 -57.5537 -88.0082 -10.7023 59.606 81.7324 -45.8511 -73.4136 102.7 PRESSAVG: 3680600 -32.9921 52.7096 11.0643 52.7095 -4.38942 -0.147127 11.0644 -0.147119 7.77515 GPRESSAVG: 3680600 -35.2398 54.4527 10.7156 54.9929 -3.19436 2.0638 9.69301 -0.883992 9.31435 TIMING: 3680600 CPU: 11498.6, 0.00313143/step Wall: 11498.6, 0.00313143/step, 1.14767 hours remaining, 234.257812 MB of memory in use. ENERGY: 3680600 3893.1363 20692.2147 14503.3633 253.0433 -203149.7628 2643.2666 0.0000 0.0000 51756.0673 -109408.6712 297.4428 -161164.7386 -109042.9289 299.7876 96.2272 125.8544 762952.5203 -9.8688 -9.7066 PRESSURE: 3680800 -58.3383 -40.9045 430.322 -40.9048 -2.36619 111.6 430.322 111.601 -97.5566 GPRESSURE: 3680800 -39.8299 114.756 385.224 -145.561 -8.12591 91.6647 334.095 107.74 -12.5612 PRESSAVG: 3680800 0.783627 -28.3244 40.5233 -28.3244 -14.4693 26.308 40.5233 26.308 32.4258 GPRESSAVG: 3680800 0.958981 -26.8703 41.2946 -29.5971 -15.0046 23.3801 40.0823 27.5202 32.321 TIMING: 3680800 CPU: 11499.2, 0.003135/step Wall: 11499.2, 0.003135/step, 1.1488 hours remaining, 234.257812 MB of memory in use. ENERGY: 3680800 4108.4743 20508.8541 14509.0359 249.5188 -203322.1181 2746.5647 0.0000 0.0000 51823.7297 -109375.9407 297.8317 -161199.6704 -109023.9950 299.3372 -52.7537 -20.1723 763622.7038 6.2467 6.0918 PRESSURE: 3681000 -104.378 178.596 -63.9975 178.596 -104.975 141.643 -63.9974 141.643 -18.7812 GPRESSURE: 3681000 -85.8229 104.976 -234.258 103.967 -78.4055 175.063 20.0701 86.2549 26.4303 PRESSAVG: 3681000 -23.3103 26.0609 42.6237 26.0609 -9.61053 75.7389 42.6237 75.7389 0.791644 GPRESSAVG: 3681000 -23.0077 23.6924 41.661 26.1909 -8.6743 76.4376 44.7083 74.5405 0.0794089 TIMING: 3681000 CPU: 11499.8, 0.00312549/step Wall: 11499.8, 0.00312549/step, 1.14514 hours remaining, 234.257812 MB of memory in use. ENERGY: 3681000 3862.7828 20507.2241 14537.2289 262.3451 -202760.3344 2393.9089 0.0000 0.0000 51972.4772 -109224.3674 298.6865 -161196.8445 -108858.8907 298.7568 -76.0448 -45.9327 762463.2976 -10.7097 -10.5342 PRESSURE: 3681200 -188.071 0.227493 -146.718 0.227285 324.158 103.365 -146.717 103.365 -96.2008 GPRESSURE: 3681200 -241.837 -13.1927 -92.4556 -29.4646 384.805 78.885 -26.041 49.5508 -40.6938 PRESSAVG: 3681200 -5.93105 -47.6957 -53.0763 -47.6957 -1.85683 -8.77719 -53.0762 -8.77718 21.2301 GPRESSAVG: 3681200 -5.6432 -44.8201 -52.8196 -48.7138 -2.62982 -8.40171 -53.5772 -8.2183 21.4729 TIMING: 3681200 CPU: 11500.4, 0.00312136/step Wall: 11500.4, 0.00312136/step, 1.14346 hours remaining, 234.257812 MB of memory in use. ENERGY: 3681200 3983.6856 20621.7939 14518.1166 258.9258 -203333.4133 2656.5548 0.0000 0.0000 52170.7176 -109123.6189 299.8258 -161294.3365 -108762.6368 299.1988 13.2953 34.0913 759247.1442 4.4808 4.4000 PRESSURE: 3681400 16.8399 152.697 -2.54351 152.698 -125.405 27.1541 -2.54432 27.1531 -0.647482 GPRESSURE: 3681400 54.6263 155.427 -45.5554 171.11 -78.1627 146.52 -73.0717 -42.8476 -4.40327 PRESSAVG: 3681400 -17.4294 -46.1222 38.4945 -46.1222 -20.5234 -61.3956 38.4945 -61.3956 17.7271 GPRESSAVG: 3681400 -17.0155 -47.8972 39.5894 -43.786 -20.9962 -62.1422 38.1049 -61.1694 17.828 TIMING: 3681400 CPU: 11501.1, 0.00310917/step Wall: 11501.1, 0.00310917/step, 1.13882 hours remaining, 234.257812 MB of memory in use. ENERGY: 3681400 3982.9151 20525.2827 14527.8696 238.0601 -202999.3767 2234.6100 0.0000 0.0000 52254.1692 -109236.4699 300.3054 -161490.6391 -108866.8851 299.6376 -36.4043 -9.3132 761247.9643 -6.7419 -6.7279 PRESSURE: 3681600 -170.531 237.112 -130.595 237.113 -169.787 33.4581 -130.594 33.4573 -49.6226 GPRESSURE: 3681600 -176.774 312.45 -79.3481 48.9594 -58.1875 63.697 -158.887 -114.575 -37.6325 PRESSAVG: 3681600 62.1171 -37.9938 44.9347 -37.9938 -27.1278 26.6714 44.9347 26.6713 -23.172 GPRESSAVG: 3681600 61.1747 -37.5779 43.9375 -39.7112 -25.7049 28.2234 46.6541 25.8096 -23.5485 TIMING: 3681600 CPU: 11501.7, 0.00310891/step Wall: 11501.7, 0.00310891/step, 1.13855 hours remaining, 234.257812 MB of memory in use. ENERGY: 3681600 3958.8943 20564.3065 14501.2118 244.9173 -202864.5614 2389.8455 0.0000 0.0000 52053.3877 -109151.9983 299.1515 -161205.3860 -108802.0972 299.4529 -129.9799 -90.8647 762416.9458 3.9391 3.9737 PRESSURE: 3681800 58.4972 -36.4198 -178.441 -36.4198 -86.4901 -107.439 -178.442 -107.438 391.59 GPRESSURE: 3681800 89.0723 -137.308 -84.8551 -35.0435 -12.6062 -176.671 -98.4614 -76.2879 349.022 PRESSAVG: 3681800 62.1006 -5.00522 -14.675 -5.00529 -68.9163 -45.5264 -14.6751 -45.5265 33.6328 GPRESSAVG: 3681800 61.185 -5.91984 -15.3508 -3.90315 -69.1487 -47.0944 -14.3677 -45.7116 34.9605 TIMING: 3681800 CPU: 11502.3, 0.0030879/step Wall: 11502.3, 0.0030879/step, 1.13069 hours remaining, 234.257812 MB of memory in use. ENERGY: 3681800 4029.4830 20479.2639 14488.1735 231.2596 -203225.4868 2865.4422 0.0000 0.0000 51980.3246 -109151.5400 298.7316 -161131.8646 -108786.2139 299.2557 121.1990 141.8293 762272.9403 8.9390 8.9990 PRESSURE: 3682000 -335.196 85.8214 91.6691 85.8208 -186.926 -93.0885 91.6675 -93.0899 17.6689 GPRESSURE: 3682000 -348.514 185.775 105.111 66.147 -111.283 -72.6925 9.54458 24.4289 46.8893 PRESSAVG: 3682000 7.80419 43.3132 0.377608 43.3132 -29.2354 12.9808 0.37761 12.9806 -23.9632 GPRESSAVG: 3682000 9.41938 44.0736 0.642537 42.3462 -28.8675 14.2441 -0.11444 13.9679 -25.2668 TIMING: 3682000 CPU: 11502.9, 0.00311364/step Wall: 11502.9, 0.00311364/step, 1.13994 hours remaining, 234.257812 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: 3682000 3985.7797 20547.4398 14504.3614 244.6202 -202722.8755 2500.1792 0.0000 0.0000 51933.6850 -109006.8102 298.4636 -160940.4952 -108640.9184 299.9587 -168.1510 -137.6359 762537.4589 -15.1315 -14.9050 PRESSURE: 3682200 18.4337 -21.0907 33.5124 -21.0899 -46.3188 -146.749 33.5122 -146.747 -148.66 GPRESSURE: 3682200 64.3072 27.0546 11.8669 5.0264 -50.962 -28.4392 -178.281 -138.604 -97.8608 PRESSAVG: 3682200 33.9437 -7.31726 5.51483 -7.31722 -35.9203 -27.9411 5.51478 -27.9411 -17.0676 GPRESSAVG: 3682200 34.1129 -6.44982 6.55316 -6.71203 -36.9543 -28.8998 4.51767 -27.0686 -16.5611 TIMING: 3682200 CPU: 11503.6, 0.00312099/step Wall: 11503.6, 0.00312099/step, 1.14245 hours remaining, 234.257812 MB of memory in use. ENERGY: 3682200 3879.3776 20469.1786 14474.8090 247.4977 -202926.2591 2607.9866 0.0000 0.0000 52114.8377 -109132.5719 299.5047 -161247.4096 -108762.9538 299.1110 -58.8484 -28.1718 762971.1151 -6.3481 -6.4675 PRESSURE: 3682400 47.5239 6.57067 55.5607 6.571 125.357 82.9877 55.5597 82.9873 656.45 GPRESSURE: 3682400 135.065 -21.7762 -23.1522 128.616 128.777 88.6976 74.5218 94.3551 638.829 PRESSAVG: 3682400 23.3808 -47.7201 -35.0715 -47.7201 -34.9571 -41.9827 -35.0715 -41.9828 19.7188 GPRESSAVG: 3682400 22.8752 -48.4485 -34.7068 -48.3144 -34.106 -40.8516 -36.1359 -44.661 19.4777 TIMING: 3682400 CPU: 11504.2, 0.00310881/step Wall: 11504.2, 0.00310881/step, 1.13782 hours remaining, 234.257812 MB of memory in use. ENERGY: 3682400 3941.3614 20586.1314 14580.0901 265.2346 -202987.3194 2516.6866 0.0000 0.0000 52023.1952 -109074.6202 298.9780 -161097.8154 -108718.2878 299.2962 276.4435 300.8904 761977.9400 2.7142 2.7489 PRESSURE: 3682600 -9.62028 -239.856 125.844 -239.857 93.8922 195.7 125.844 195.7 -120.832 GPRESSURE: 3682600 -34.7558 -231.117 83.3064 -253.021 116.528 146.458 -7.6142 65.6227 -55.507 PRESSAVG: 3682600 47.3873 27.2473 -40.5969 27.2473 -26.6761 16.2732 -40.5968 16.2732 -15.7063 GPRESSAVG: 3682600 48.1699 28.6565 -41.8962 27.1128 -28.4071 16.7998 -38.9395 16.5469 -15.0426 TIMING: 3682600 CPU: 11504.8, 0.00312702/step Wall: 11504.8, 0.00312702/step, 1.14432 hours remaining, 234.257812 MB of memory in use. ENERGY: 3682600 4062.2517 20422.9027 14533.6263 259.9223 -203215.5700 2821.2463 0.0000 0.0000 52321.1891 -108794.4317 300.6906 -161115.6208 -108443.9046 300.0046 -12.1865 8.7552 762898.4210 1.6683 1.5734 PRESSURE: 3682800 3.78177 -45.3819 -167.291 -45.3811 -136.604 -139.83 -167.292 -139.83 52.0439 GPRESSURE: 3682800 -19.9759 -54.4982 -86.8245 -0.720979 -42.3725 -64.6413 -150.843 -172.898 49.3126 PRESSAVG: 3682800 22.5826 0.105189 -37.8095 0.105147 17.9805 38.0586 -37.8095 38.0586 8.07688 GPRESSAVG: 3682800 21.6281 -1.14174 -36.1025 0.94269 19.3045 37.3694 -38.2598 38.8337 7.11006 TIMING: 3682800 CPU: 11505.4, 0.00311773/step Wall: 11505.4, 0.00311773/step, 1.14074 hours remaining, 234.257812 MB of memory in use. ENERGY: 3682800 4010.6679 20672.7342 14567.7275 240.8093 -203123.4022 2865.2887 0.0000 0.0000 52043.0238 -108723.1510 299.0920 -160766.1748 -108355.6397 299.8363 -26.9261 -4.3453 763197.6951 16.2133 16.0142 PRESSURE: 3683000 74.7789 234.39 33.4297 234.39 171.395 -45.7904 33.4303 -45.7912 40.4817 GPRESSURE: 3683000 99.6581 208.333 72.8969 279.08 236.989 -11.7328 117.665 -146.82 28.4501 PRESSAVG: 3683000 37.4021 -6.89232 17.3133 -6.89231 -21.4961 -6.99634 17.3133 -6.99634 0.27451 GPRESSAVG: 3683000 38.1367 -7.58484 15.6214 -6.20214 -21.1086 -7.35139 19.3109 -7.53979 -0.244923 TIMING: 3683000 CPU: 11506.1, 0.00311592/step Wall: 11506.1, 0.00311592/step, 1.13991 hours remaining, 234.257812 MB of memory in use. ENERGY: 3683000 3933.3026 20585.4112 14581.8237 247.1185 -203161.2780 2651.2964 0.0000 0.0000 52327.6994 -108834.6263 300.7280 -161162.3257 -108468.9807 300.1126 95.5518 121.6992 763439.8127 5.3935 5.5944 PRESSURE: 3683200 43.3411 198.274 -251.869 198.274 -76.4801 106.236 -251.869 106.237 -84.4687 GPRESSURE: 3683200 54.4581 299.862 -235.424 158.959 -80.4375 141.581 -276.937 113.447 -3.56381 PRESSAVG: 3683200 82.3134 20.5134 14.0473 20.5134 -63.0541 6.19608 14.0472 6.19616 18.5759 GPRESSAVG: 3683200 81.958 21.5436 16.1134 18.9271 -64.9792 6.77529 10.901 5.13702 20.4635 TIMING: 3683200 CPU: 11506.7, 0.00310044/step Wall: 11506.7, 0.00310044/step, 1.13407 hours remaining, 234.257812 MB of memory in use. ENERGY: 3683200 4053.5229 20631.6638 14621.5373 265.7955 -203125.6272 2814.0692 0.0000 0.0000 51956.8854 -108782.1532 298.5969 -160739.0386 -108413.2725 299.8302 -39.2026 -9.8477 762882.2125 12.6117 12.4808 PRESSURE: 3683400 -17.0547 166.143 -103.612 166.143 -70.0961 -79.5914 -103.612 -79.5925 -189.29 GPRESSURE: 3683400 19.2221 41.4877 -60.6795 323.619 -0.275559 -120.725 -224.724 -90.5298 -203.294 PRESSAVG: 3683400 40.5373 47.8357 25.8252 47.8357 -31.3557 -11.1825 25.8251 -11.1824 2.83645 GPRESSAVG: 3683400 40.2499 46.5401 25.0047 48.8778 -30.6683 -11.7682 25.6854 -10.4239 2.37894 TIMING: 3683400 CPU: 11507.3, 0.00311084/step Wall: 11507.3, 0.00311084/step, 1.1377 hours remaining, 234.257812 MB of memory in use. ENERGY: 3683400 4048.2736 20505.0953 14551.7276 238.8407 -203073.3495 2742.8286 0.0000 0.0000 52165.1361 -108821.4476 299.7938 -160986.5837 -108460.2340 299.9768 -92.1468 -61.4490 762729.2416 4.0060 3.9868 PRESSURE: 3683600 281.343 -8.00894 72.1402 -8.00922 529.712 -119.952 72.1414 -119.951 137.89 GPRESSURE: 3683600 462.543 -37.2708 42.2662 -67.9204 413.134 -157.805 35.0944 -18.9117 157.373 PRESSAVG: 3683600 53.2627 42.8889 43.175 42.889 -57.0756 -55.9323 43.175 -55.9323 -9.5064 GPRESSAVG: 3683600 53.8866 44.2827 42.5194 44.7982 -57.3933 -56.3748 43.8843 -53.8027 -9.11357 TIMING: 3683600 CPU: 11507.9, 0.00312069/step Wall: 11507.9, 0.00312069/step, 1.14113 hours remaining, 234.257812 MB of memory in use. ENERGY: 3683600 3970.6488 20521.5036 14516.0270 223.0056 -203565.7566 3092.5425 0.0000 0.0000 52536.8889 -108705.1403 301.9302 -161242.0292 -108335.9485 300.3252 316.3149 344.3499 763566.6289 -4.4398 -4.2067 PRESSURE: 3683800 189.438 12.7086 108.519 12.7081 -280.147 -202.92 108.518 -202.92 -303.763 GPRESSURE: 3683800 182.775 105.024 68.3896 104.833 -110.191 -262.454 105.947 -79.0124 -387.366 PRESSAVG: 3683800 -2.38472 65.9332 36.2165 65.9332 -16.5681 -21.3157 36.2166 -21.3155 24.7597 GPRESSAVG: 3683800 -2.79781 66.155 38.0519 63.6685 -14.5833 -20.5724 37.2951 -20.065 23.3287 TIMING: 3683800 CPU: 11508.5, 0.00311045/step Wall: 11508.5, 0.00311045/step, 1.13721 hours remaining, 234.257812 MB of memory in use. ENERGY: 3683800 4003.9076 20532.7962 14570.5349 252.3635 -202917.8306 2620.6624 0.0000 0.0000 52404.5962 -108532.9698 301.1699 -160937.5660 -108165.5478 300.9023 -131.4907 -104.9271 763222.5408 1.9356 1.9825 PRESSURE: 3684000 -320.926 -7.41868 -154.742 -7.41904 -49.6746 9.84683 -154.742 9.84746 -37.2313 GPRESSURE: 3684000 -240.496 -97.5783 -160.256 -126.377 -71.7973 -50.3448 -91.5332 -35.877 2.56939 PRESSAVG: 3684000 32.2373 32.365 36.8401 32.365 -27.2673 -1.19559 36.8401 -1.19565 4.1452 GPRESSAVG: 3684000 31.3956 31.1418 33.1521 34.8466 -27.5673 -2.08678 37.7678 -4.20656 4.87508 TIMING: 3684000 CPU: 11509.2, 0.00313114/step Wall: 11509.2, 0.00313114/step, 1.14461 hours remaining, 234.257812 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: 3684000 4046.5949 20617.9902 14512.9939 234.0888 -202541.8874 2370.8282 0.0000 0.0000 52263.5022 -108495.8891 300.3591 -160759.3913 -108127.2059 301.3351 -135.9440 -103.2413 763398.5874 3.0384 2.9011 PRESSURE: 3684200 31.7547 -6.82162 34.9685 -6.82178 -489.178 -86.7269 34.9684 -86.7271 -460.054 GPRESSURE: 3684200 55.3647 90.363 40.6679 -10.8674 -385.11 -15.1517 -112.068 -141.393 -492.199 PRESSAVG: 3684200 13.521 61.0801 35.6112 61.0801 -26.6486 -10.9731 35.6112 -10.9731 -12.1805 GPRESSAVG: 3684200 14.1604 60.4235 37.4552 58.9156 -26.8618 -9.72561 34.6539 -10.7382 -12.3984 TIMING: 3684200 CPU: 11509.8, 0.00310643/step Wall: 11509.8, 0.00310643/step, 1.1354 hours remaining, 234.257812 MB of memory in use. ENERGY: 3684200 4101.2817 20562.0503 14493.0606 269.3091 -202508.6136 2263.5652 0.0000 0.0000 52570.4975 -108248.8493 302.1234 -160819.3468 -107880.5356 301.2008 -305.8259 -273.9814 762757.3073 -8.4360 -8.3666 LDB: ============= START OF LOAD BALANCING ============== 11522.3 LDB: ============== END OF LOAD BALANCING =============== 11522.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11522.3 LDB: ============= START OF LOAD BALANCING ============== 11522.6 LDB: Largest compute 6998 load 0.029052 is 14.9% of average load 0.195217 LDB: Average compute 0.004381 is 2.2% of average load 0.195217 LDB: TIME 11522.6 LOAD: AVG 0.195217 MAX 0.212741 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.027 MB LDB: TIME 11522.6 LOAD: AVG 0.195217 MAX 0.212741 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.23 MB LDB: TIME 11522.6 LOAD: AVG 0.195217 MAX 0.212741 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.23 MB LDB: ============== END OF LOAD BALANCING =============== 11522.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11522.6 PRESSURE: 3684400 -202.108 -60.695 184.765 -60.6955 -111.205 1.66589 184.764 1.66597 146.658 GPRESSURE: 3684400 -140.077 -28.3642 196.912 -16.8432 -123.888 17.6723 136.114 19.3682 166.607 PRESSAVG: 3684400 28.8984 22.3435 25.7869 22.3435 20.2959 -8.95825 25.7869 -8.95826 14.3447 GPRESSAVG: 3684400 30.0723 23.1015 24.876 23.1222 19.8728 -10.0043 24.8337 -9.14395 13.6056 TIMING: 3684400 CPU: 11510.4, 0.00316866/step Wall: 11510.4, 0.00316866/step, 1.15797 hours remaining, 234.054688 MB of memory in use. ENERGY: 3684400 3975.5564 20577.9141 14599.2998 234.2789 -202527.2028 2444.0982 0.0000 0.0000 52392.2383 -108303.8171 301.0989 -160696.0554 -107930.5527 301.4190 -55.5515 -32.4530 762167.2367 21.1796 21.1836 PRESSURE: 3684600 122.112 -19.6514 -160.875 -19.6509 230.917 -256.864 -160.875 -256.863 107.292 GPRESSURE: 3684600 196.464 130.833 -169.168 -79.1744 226.142 -238.545 -239.65 -320.59 125.288 PRESSAVG: 3684600 77.1233 4.67134 18.6454 4.67136 -65.0049 -39.4669 18.6455 -39.4667 -1.28089 GPRESSAVG: 3684600 75.2264 6.5024 19.4875 4.0103 -64.9758 -39.8989 18.31 -38.4986 0.413501 TIMING: 3684600 CPU: 11511, 0.00310977/step Wall: 11511, 0.00310977/step, 1.13628 hours remaining, 234.054688 MB of memory in use. ENERGY: 3684600 3883.3189 20697.0390 14474.2219 270.8337 -202790.5127 2447.0701 0.0000 0.0000 52661.3113 -108356.7179 302.6453 -161018.0292 -107989.3796 301.5642 153.4401 182.6315 762655.4694 3.6125 3.5547 PRESSURE: 3684800 17.8126 -6.79213 166.917 -6.79226 -176.571 15.5468 166.917 15.5476 427.032 GPRESSURE: 3684800 97.2373 42.9215 53.9287 27.9168 -194.6 -20.1395 125.182 80.0373 423.277 PRESSAVG: 3684800 39.2076 -42.3334 28.6104 -42.3334 -14.4695 -6.19223 28.6104 -6.19238 5.97729 GPRESSAVG: 3684800 38.6782 -43.3119 28.3338 -42.0528 -13.979 -6.06943 28.6513 -5.90631 6.26235 TIMING: 3684800 CPU: 11511.7, 0.00311142/step Wall: 11511.7, 0.00311142/step, 1.13671 hours remaining, 234.054688 MB of memory in use. ENERGY: 3684800 3976.7059 20710.0574 14537.7765 243.4956 -202951.9048 2559.4155 0.0000 0.0000 52465.1593 -108459.2945 301.5180 -160924.4538 -108099.2283 301.5800 89.4244 108.6381 762616.5886 10.2385 10.3205 PRESSURE: 3685000 -98.3752 -15.0946 -69.6778 -15.0952 -9.06643 112.173 -69.6779 112.173 -8.57528 GPRESSURE: 3685000 -92.2087 -169.399 23.4602 -57.3702 94.3116 120.158 -140.745 80.1083 -28.7697 PRESSAVG: 3685000 -9.73808 -15.6155 33.2551 -15.6156 29.9519 -11.4692 33.2551 -11.4691 13.0391 GPRESSAVG: 3685000 -8.65268 -18.6886 33.6513 -16.6471 30.3701 -11.8587 33.3248 -11.9649 11.7908 TIMING: 3685000 CPU: 11512.3, 0.00308694/step Wall: 11512.3, 0.00308694/step, 1.12759 hours remaining, 234.054688 MB of memory in use. ENERGY: 3685000 4005.6200 20690.6910 14528.9463 265.2756 -203353.9606 2689.1229 0.0000 0.0000 52626.2162 -108548.0888 302.4436 -161174.3049 -108190.7802 301.1780 -38.6723 -8.8889 760824.3103 11.0843 11.1694 PRESSURE: 3685200 200.887 201.893 -53.0317 201.893 24.3044 40.1119 -53.0315 40.1113 514.447 GPRESSURE: 3685200 275.446 30.8269 -46.5245 157.152 22.4402 20.7189 -57.2887 112.765 505.878 PRESSAVG: 3685200 16.2128 19.1975 5.96125 19.1974 3.99576 -29.1873 5.96129 -29.1873 -2.9421 GPRESSAVG: 3685200 16.9804 20.0127 3.9226 19.0947 2.5256 -29.7958 9.45893 -30.0251 -2.31551 TIMING: 3685200 CPU: 11512.9, 0.00309917/step Wall: 11512.9, 0.00309917/step, 1.13188 hours remaining, 234.054688 MB of memory in use. ENERGY: 3685200 3973.0875 20667.9969 14509.8750 234.6853 -203598.6561 2938.8310 0.0000 0.0000 52591.1325 -108683.0480 302.2420 -161274.1805 -108323.0480 300.8698 246.5460 267.9216 761091.4483 5.7555 5.7302 PRESSURE: 3685400 -428.46 31.6896 105.564 31.6886 -210.549 157.867 105.563 157.867 -192.646 GPRESSURE: 3685400 -386.22 -29.9204 21.9127 50.9837 -196.455 91.5967 23.5454 111.048 -150.793 PRESSAVG: 3685400 5.97996 16.6034 16.8527 16.6033 3.18204 -42.7289 16.8527 -42.7289 -4.33455 GPRESSAVG: 3685400 6.10604 18.1421 18.8453 18.9179 4.15528 -39.3372 12.9137 -44.8723 -4.95686 TIMING: 3685400 CPU: 11513.5, 0.00313284/step Wall: 11513.5, 0.00313284/step, 1.14401 hours remaining, 234.054688 MB of memory in use. ENERGY: 3685400 4052.7095 20730.1314 14576.2196 248.6454 -202856.1412 2448.3591 0.0000 0.0000 51988.0144 -108812.0617 298.7758 -160800.0761 -108458.8877 300.6066 -277.2184 -244.4892 762065.3663 1.6092 1.7682 PRESSURE: 3685600 270.432 -218.687 -32.2219 -218.686 19.8157 197.592 -32.2226 197.593 -50.2055 GPRESSURE: 3685600 310.699 -87.2749 79.7932 -260.157 -6.26513 219.949 -49.8219 175.404 19.9719 PRESSAVG: 3685600 18.0939 -11.8178 -51.1135 -11.8177 -20.1241 18.7353 -51.1136 18.7353 -7.8577 GPRESSAVG: 3685600 18.5606 -12.611 -50.9045 -13.6563 -21.9505 16.5446 -52.1034 21.7468 -6.4484 TIMING: 3685600 CPU: 11514.1, 0.0031082/step Wall: 11514.1, 0.0031082/step, 1.13484 hours remaining, 234.054688 MB of memory in use. ENERGY: 3685600 4017.5905 20489.5072 14528.7431 239.0638 -202951.5677 2470.7261 0.0000 0.0000 52272.4558 -108933.4812 300.4105 -161205.9370 -108562.4874 299.9067 80.0142 108.1352 762064.5559 -3.2960 -3.2794 PRESSURE: 3685800 -173.827 12.8758 -21.3206 12.8759 -73.9454 -2.3837 -21.3209 -2.38363 541.168 GPRESSURE: 3685800 -144.462 30.2969 36.2166 -15.0534 61.3616 -48.1194 -43.526 79.4087 443.146 PRESSAVG: 3685800 9.77424 38.3869 -0.00161137 38.3869 -9.48448 59.8454 -0.00157024 59.8454 -2.96225 GPRESSAVG: 3685800 8.92831 37.5975 0.542235 39.8256 -8.42787 59.7044 2.27587 57.3895 -3.49139 TIMING: 3685800 CPU: 11514.8, 0.00308931/step Wall: 11514.8, 0.00308931/step, 1.12777 hours remaining, 234.054688 MB of memory in use. ENERGY: 3685800 4011.6387 20723.6510 14518.8189 240.7989 -203443.1575 2963.8031 0.0000 0.0000 52031.9381 -108952.5087 299.0283 -160984.4468 -108601.8246 299.7708 97.7983 120.0153 762646.7276 -0.8908 -0.9970 PRESSURE: 3686000 119.767 25.9762 83.6942 25.9761 169.882 -150.943 83.6944 -150.942 -222.395 GPRESSURE: 3686000 212.427 -31.5531 140.22 -7.88647 145.915 -175.325 68.3258 -11.0922 -207.746 PRESSAVG: 3686000 37.6769 27.8669 -21.8679 27.8668 -51.198 25.9068 -21.8678 25.9068 19.6284 GPRESSAVG: 3686000 37.3817 26.6956 -23.246 27.8273 -51.5918 27.0309 -20.9356 26.9745 20.2959 TIMING: 3686000 CPU: 11515.4, 0.00311309/step Wall: 11515.4, 0.00311309/step, 1.13628 hours remaining, 234.054688 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: 3686000 4034.1027 20619.7815 14547.1180 255.2968 -203295.0656 2649.2316 0.0000 0.0000 52075.5140 -109114.0210 299.2787 -161189.5350 -108749.3622 299.7107 22.4179 50.1987 761487.6827 2.0358 2.0286 PRESSURE: 3686200 -446.135 -29.3834 8.95701 -29.384 -69.8884 -99.672 8.95673 -99.6711 216.237 GPRESSURE: 3686200 -237.233 -81.654 141.159 -14.1292 -55.7813 -171.114 55.2077 -144.003 82.0129 PRESSAVG: 3686200 44.2199 18.2783 -9.5545 18.2784 -21.6864 -16.8544 -9.55457 -16.8545 20.0939 GPRESSAVG: 3686200 45.183 20.9052 -8.4272 15.236 -21.3391 -17.3728 -10.2234 -16.6061 18.8385 TIMING: 3686200 CPU: 11516, 0.00310782/step Wall: 11516, 0.00310782/step, 1.13418 hours remaining, 234.054688 MB of memory in use. ENERGY: 3686200 3937.9096 20585.2687 14580.9662 240.2711 -203436.2619 2722.0349 0.0000 0.0000 52436.6131 -108933.1982 301.3539 -161369.8113 -108569.2683 299.9083 -99.9288 -70.3339 763713.1341 14.2091 14.2275 PRESSURE: 3686400 -387.841 -8.89808 -65.6164 -8.89791 -71.507 -5.08866 -65.6173 -5.08914 -291.265 GPRESSURE: 3686400 -284.245 0.728111 -167.269 -0.234481 -91.4951 -14.9158 -13.8397 116.173 -287.544 PRESSAVG: 3686400 47.5279 22.7079 -21.9084 22.7079 -72.6837 8.59059 -21.9083 8.59053 -8.87644 GPRESSAVG: 3686400 46.6303 20.4188 -20.9655 24.424 -72.4971 6.71644 -23.5147 10.6857 -8.43969 TIMING: 3686400 CPU: 11516.6, 0.00309838/step Wall: 11516.6, 0.00309838/step, 1.13057 hours remaining, 234.054688 MB of memory in use. ENERGY: 3686400 4081.7602 20370.7704 14538.4631 252.8023 -203168.3754 2726.2664 0.0000 0.0000 52155.5711 -109042.7421 299.7388 -161198.3131 -108679.7148 299.4129 -250.2042 -221.0945 763497.6694 -11.3441 -11.4355 PRESSURE: 3686600 13.5566 117.381 -177.239 117.382 -240.551 89.4271 -177.238 89.4272 194.758 GPRESSURE: 3686600 23.0354 92.8066 -169.811 38.7381 -227.48 98.3456 -191.307 107.049 253.322 PRESSAVG: 3686600 36.495 -17.2589 -79.6339 -17.2589 -53.1066 2.65476 -79.6339 2.65477 6.97613 GPRESSAVG: 3686600 36.4314 -18.2208 -80.5797 -15.1144 -52.9953 4.68871 -78.289 3.54088 6.44113 TIMING: 3686600 CPU: 11517.3, 0.00309713/step Wall: 11517.3, 0.00309713/step, 1.12994 hours remaining, 234.054688 MB of memory in use. ENERGY: 3686600 4003.4363 20711.9989 14499.7835 261.4515 -203111.3517 2700.1578 0.0000 0.0000 52094.2072 -108840.3165 299.3861 -160934.5237 -108482.1557 299.7611 -10.7453 16.2926 764403.8582 -3.2118 -3.3743 PRESSURE: 3686800 -91.8179 115.379 -159.543 115.379 -269.885 -32.2334 -159.543 -32.2338 163.369 GPRESSURE: 3686800 -71.6469 -45.031 -135.261 203.812 -209.889 -36.685 -47.5031 66.9438 200.3 PRESSAVG: 3686800 30.8114 31.3738 9.9011 31.3738 -54.4049 -44.054 9.9011 -44.0539 -9.35604 GPRESSAVG: 3686800 29.8657 33.6191 10.8841 28.757 -53.7008 -45.042 8.35641 -45.3372 -8.89913 TIMING: 3686800 CPU: 11517.9, 0.00311031/step Wall: 11517.9, 0.00311031/step, 1.13457 hours remaining, 234.054688 MB of memory in use. ENERGY: 3686800 4005.4750 20655.6872 14435.3549 270.8417 -203068.7451 2710.4981 0.0000 0.0000 52404.3349 -108586.5533 301.1684 -160990.8883 -108217.3971 300.4470 -66.1113 -27.0789 763442.5723 -10.9832 -10.9114 PRESSURE: 3687000 -67.2841 -150.057 145.645 -150.056 -226.818 -102.452 145.644 -102.452 -332.269 GPRESSURE: 3687000 -27.211 -95.2271 175.061 -172.964 -190.431 -137.636 73.8537 -145.346 -321.123 PRESSAVG: 3687000 96.0972 26.5003 -3.77466 26.5003 -66.8753 -21.2238 -3.77465 -21.2238 7.92535 GPRESSAVG: 3687000 97.9913 27.2738 -5.35046 27.4762 -67.0582 -19.7555 -2.83175 -22.9548 6.76452 TIMING: 3687000 CPU: 11518.5, 0.00309947/step Wall: 11518.5, 0.00309947/step, 1.13045 hours remaining, 234.054688 MB of memory in use. ENERGY: 3687000 4142.2579 20498.6581 14527.1857 251.6589 -203361.5110 2968.7994 0.0000 0.0000 52596.2244 -108376.7267 302.2712 -160972.9510 -108006.3007 301.1939 -208.7901 -179.5884 763657.4888 12.3824 12.5659 PRESSURE: 3687200 -88.6168 -84.0283 219.441 -84.0275 -304.024 77.531 219.441 77.5314 -154.526 GPRESSURE: 3687200 -57.7161 132.751 211.166 -97.7812 -240.927 180.734 173.708 151.686 -174.179 PRESSAVG: 3687200 10.4848 -9.88361 8.73106 -9.88362 -74.4336 -46.3323 8.73108 -46.3322 14.5968 GPRESSAVG: 3687200 10.1881 -9.04098 9.53099 -10.6937 -74.0933 -46.9314 8.97209 -45.0186 14.3891 TIMING: 3687200 CPU: 11519.1, 0.0031028/step Wall: 11519.1, 0.0031028/step, 1.13149 hours remaining, 234.054688 MB of memory in use. ENERGY: 3687200 4020.7779 20792.1572 14552.8518 259.8545 -203050.4562 2358.7878 0.0000 0.0000 52600.1193 -108465.9077 302.2936 -161066.0270 -108106.1928 301.4799 -182.3888 -157.6072 764169.1494 -16.4507 -16.5054 PRESSURE: 3687400 507.516 202.904 197.864 202.904 332.661 -109.495 197.864 -109.494 79.6302 GPRESSURE: 3687400 526.57 273.781 253.66 141.132 353.91 -37.9235 79.9627 -103.976 108.432 PRESSAVG: 3687400 98.5945 51.0651 10.5684 51.0651 -82.4281 -14.27 10.5684 -14.27 16.5663 GPRESSAVG: 3687400 97.9076 46.7746 11.3386 52.9993 -82.8343 -13.164 8.08156 -14.772 17.9791 TIMING: 3687400 CPU: 11519.7, 0.00311165/step Wall: 11519.7, 0.00311165/step, 1.13454 hours remaining, 234.054688 MB of memory in use. ENERGY: 3687400 3958.5357 20663.3188 14564.9391 250.3785 -203067.2484 2873.7683 0.0000 0.0000 52322.2234 -108434.0846 300.6965 -160756.3080 -108072.0581 301.0784 306.6026 329.6374 763176.7131 10.9109 11.0175 PRESSURE: 3687600 -219.635 -141.298 -379.051 -141.298 -54.8917 114.059 -379.05 114.059 -259.22 GPRESSURE: 3687600 -215.252 -121.255 -346.655 -129.23 -42.6957 104.112 -193.753 102.889 -189.548 PRESSAVG: 3687600 5.66956 74.4791 -36.4399 74.479 -53.1962 -22.7726 -36.4399 -22.7726 3.13884 GPRESSAVG: 3687600 4.4764 77.1786 -36.9827 71.89 -52.5872 -25.1749 -34.2976 -22.9598 3.09731 TIMING: 3687600 CPU: 11520.4, 0.0030946/step Wall: 11520.4, 0.0030946/step, 1.12815 hours remaining, 234.054688 MB of memory in use. ENERGY: 3687600 3998.8437 20505.0210 14528.8794 238.2036 -202753.4312 2693.4954 0.0000 0.0000 52387.8512 -108401.1368 301.0737 -160788.9880 -108033.7706 301.0114 -177.9156 -149.1649 765003.6332 -14.7959 -15.0045 PRESSURE: 3687800 176.028 29.7223 64.548 29.7222 -77.1517 -13.7209 64.5479 -13.7205 -91.6589 GPRESSURE: 3687800 189.691 12.2875 12.9154 -8.64395 25.4928 -31.5893 102.457 -2.1824 -144.441 PRESSAVG: 3687800 46.5168 3.35161 -47.4993 3.35166 -10.3789 -2.35754 -47.4993 -2.35765 -16.1795 GPRESSAVG: 3687800 47.2836 1.88588 -46.9664 5.25699 -10.3474 -2.04616 -47.5484 -1.60205 -16.6975 TIMING: 3687800 CPU: 11521, 0.00309764/step Wall: 11521, 0.00309764/step, 1.12909 hours remaining, 234.054688 MB of memory in use. ENERGY: 3687800 3975.8067 20649.4604 14540.7457 244.4113 -202957.1865 2647.2842 0.0000 0.0000 52456.3405 -108443.1377 301.4673 -160899.4782 -108072.0675 301.3171 2.4060 23.5810 762510.0288 6.6528 6.7462 PRESSURE: 3688000 43.4373 129.274 -188.02 129.274 63.1706 -5.11429 -188.021 -5.11426 -98.8646 GPRESSURE: 3688000 149.675 82.4971 -218.872 33.2247 -17.3479 -21.0539 -231.882 -45.7734 -57.6988 PRESSAVG: 3688000 27.9827 82.2075 -1.47235 82.2076 -24.7727 -20.3476 -1.47236 -20.3477 -11.2927 GPRESSAVG: 3688000 29.0276 82.6282 -2.84323 81.4455 -26.032 -17.9362 -1.31957 -21.9324 -11.3571 TIMING: 3688000 CPU: 11521.6, 0.00309511/step Wall: 11521.6, 0.00309511/step, 1.128 hours remaining, 234.054688 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: 3688000 4002.0019 20707.7476 14503.7230 256.6371 -202809.0470 2366.8777 0.0000 0.0000 52021.0509 -108951.0089 298.9657 -160972.0598 -108590.5947 300.1404 2.5811 24.8759 763161.2516 -2.6942 -2.7872 PRESSURE: 3688200 -68.0661 -21.1433 -171.732 -21.1444 -8.15134 -98.9853 -171.732 -98.9848 -217.396 GPRESSURE: 3688200 -94.0756 -43.3558 -150.414 85.9729 103.582 -173.146 -128.442 -105.289 -183.665 PRESSAVG: 3688200 40.8009 -25.4771 -24.813 -25.4771 -28.0604 -3.59661 -24.813 -3.59662 -11.4721 GPRESSAVG: 3688200 40.7581 -24.8343 -24.3195 -24.5345 -28.0869 -7.47323 -24.0917 -1.18343 -11.4662 TIMING: 3688200 CPU: 11522.2, 0.00309143/step Wall: 11522.2, 0.00309143/step, 1.12648 hours remaining, 234.054688 MB of memory in use. ENERGY: 3688200 3905.9739 20580.0260 14479.2712 265.8716 -202553.7336 2352.7509 0.0000 0.0000 52181.6393 -108788.2008 299.8886 -160969.8401 -108420.7122 299.5733 -97.8711 -58.0526 762579.3076 0.4228 0.4017 LDB: ============= START OF LOAD BALANCING ============== 11534.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11534.7 LDB: =============== DONE WITH MIGRATION ================ 11534.7 LDB: ============= START OF LOAD BALANCING ============== 11535 LDB: Largest compute 6998 load 0.029175 is 14.9% of average load 0.195204 LDB: Average compute 0.004387 is 2.2% of average load 0.195204 LDB: TIME 11535 LOAD: AVG 0.195204 MAX 0.213309 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.598 MB LDB: TIME 11535 LOAD: AVG 0.195204 MAX 0.213309 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.602 MB LDB: TIME 11535 LOAD: AVG 0.195204 MAX 0.213309 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.602 MB LDB: ============== END OF LOAD BALANCING =============== 11535 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11535 PRESSURE: 3688400 41.1418 -5.071 256.471 -5.07107 -288.707 -28.6141 256.472 -28.6142 -308.693 GPRESSURE: 3688400 57.2096 -7.53061 158.432 -19.5918 -264.914 -9.00749 147.329 9.05921 -268.847 PRESSAVG: 3688400 12.8851 -41.5609 5.6429 -41.5609 24.1368 20.9484 5.64289 20.9484 -37.1743 GPRESSAVG: 3688400 11.7505 -44.2103 5.58235 -42.1333 24.7976 22.6357 6.43322 20.1531 -36.7538 TIMING: 3688400 CPU: 11522.8, 0.00316143/step Wall: 11522.8, 0.00316143/step, 1.15181 hours remaining, 234.683594 MB of memory in use. ENERGY: 3688400 4052.8669 20636.7178 14465.5130 247.4787 -203230.6907 2720.9156 0.0000 0.0000 52375.8349 -108731.3638 301.0046 -161107.1988 -108377.3983 300.2052 -185.4196 -158.8505 763125.8929 -0.0508 -0.0686 PRESSURE: 3688600 217.837 -161.275 11.852 -161.274 -147.965 15.4037 11.8529 15.4035 -310.293 GPRESSURE: 3688600 140.511 -142.481 -12.5017 -191.486 -58.3459 65.2114 -6.01913 45.4622 -245.264 PRESSAVG: 3688600 52.1113 -29.1904 -41.5457 -29.1904 5.69945 6.2336 -41.5458 6.23361 -12.1058 GPRESSAVG: 3688600 51.4781 -27.4692 -42.3982 -29.2552 4.71712 5.91315 -42.0609 4.99291 -11.1575 TIMING: 3688600 CPU: 11523.5, 0.00309468/step Wall: 11523.5, 0.00309468/step, 1.12732 hours remaining, 234.941406 MB of memory in use. ENERGY: 3688600 4036.8989 20528.1090 14561.2159 252.6313 -203392.9099 2690.9339 0.0000 0.0000 52350.3271 -108972.7937 300.8580 -161323.1208 -108605.9357 300.2673 -80.1403 -54.3662 763147.4621 15.2350 15.0126 PRESSURE: 3688800 132.652 -82.6362 109.989 -82.6351 -204.336 -128.749 109.989 -128.748 160.224 GPRESSURE: 3688800 189.493 -119.085 77.9625 -125.953 -190.947 -158.146 162.301 -124.591 173.153 PRESSAVG: 3688800 39.185 -62.6514 24.8143 -62.6515 -47.7696 54.4516 24.8142 54.4516 -8.13927 GPRESSAVG: 3688800 40.5306 -62.1988 24.7943 -62.5844 -48.5582 54.3696 24.0358 54.5033 -9.02008 TIMING: 3688800 CPU: 11524.1, 0.00309421/step Wall: 11524.1, 0.00309421/step, 1.12698 hours remaining, 234.941406 MB of memory in use. ENERGY: 3688800 3999.3318 20630.0206 14493.5020 233.0855 -203211.9586 2496.2864 0.0000 0.0000 52027.6778 -109332.0544 299.0038 -161359.7322 -108973.0071 299.2901 29.5131 57.2331 761680.3622 -5.5746 -5.6826 PRESSURE: 3689000 280.919 82.8421 -25.9355 82.8416 134.281 -34.9154 -25.9347 -34.9162 -50.7301 GPRESSURE: 3689000 402.84 145.12 29.3605 41.4589 54.9363 -33.6258 -109.976 47.7915 -5.57272 PRESSAVG: 3689000 28.9585 9.74279 -19.1154 9.74281 -11.9524 54.0652 -19.1154 54.0652 -19.672 GPRESSAVG: 3689000 29.147 9.906 -19.42 9.88053 -11.0237 54.5862 -16.331 54.8691 -20.0586 TIMING: 3689000 CPU: 11524.7, 0.00310185/step Wall: 11524.7, 0.00310185/step, 1.12959 hours remaining, 234.941406 MB of memory in use. ENERGY: 3689000 3911.4131 20487.1902 14556.1785 220.4488 -203222.0395 2704.1589 0.0000 0.0000 52162.1241 -109180.5259 299.7764 -161342.6499 -108811.6509 298.7051 121.4898 150.7346 762839.3422 -0.8886 -0.6451 PRESSURE: 3689200 -104.203 -108.13 -306.561 -108.13 -216.84 -74.7842 -306.561 -74.7857 310.675 GPRESSURE: 3689200 -103.008 -39.072 -243.887 -28.6159 -51.1185 -33.2424 -316.05 20.0947 225.274 PRESSAVG: 3689200 -22.8376 30.4835 -46.8183 30.4835 -13.3229 22.4957 -46.8183 22.4957 18.9866 GPRESSAVG: 3689200 -23.8287 29.7953 -45.2534 29.8082 -13.042 23.917 -49.2364 22.2874 19.332 TIMING: 3689200 CPU: 11525.3, 0.0030852/step Wall: 11525.3, 0.0030852/step, 1.12336 hours remaining, 234.941406 MB of memory in use. ENERGY: 3689200 3988.1293 20538.5387 14536.9088 235.2065 -203411.0954 2863.6404 0.0000 0.0000 52126.0537 -109122.6179 299.5691 -161248.6716 -108754.4293 299.3066 -3.4563 23.7156 762910.3413 -5.7246 -5.8462 PRESSURE: 3689400 13.6957 353.103 -251.246 353.102 144.393 102.605 -251.247 102.605 -172.296 GPRESSURE: 3689400 158.845 276.818 -165.102 255.762 -3.33405 46.6722 -189.187 63.0879 -87.8692 PRESSAVG: 3689400 -29.3877 25.3892 38.5224 25.3893 16.4397 -12.7094 38.5224 -12.7093 -3.77733 GPRESSAVG: 3689400 -28.5877 25.0779 38.3929 25.0473 14.219 -14.4684 39.5873 -11.2383 -2.25549 TIMING: 3689400 CPU: 11525.9, 0.0030873/step Wall: 11525.9, 0.0030873/step, 1.12395 hours remaining, 234.941406 MB of memory in use. ENERGY: 3689400 3948.0724 20734.8335 14464.8440 242.4326 -203334.4601 2865.2094 0.0000 0.0000 51955.9375 -109123.1306 298.5915 -161079.0682 -108777.1139 299.7662 -4.7360 22.5471 763298.4077 -5.5751 -5.5414 PRESSURE: 3689600 -12.4436 140.901 184.322 140.901 75.4883 267.951 184.322 267.95 -183.129 GPRESSURE: 3689600 108.24 40.4273 189.367 95.3305 19.3312 249.554 250.219 204.661 -180.269 PRESSAVG: 3689600 -21.1466 19.428 52.7013 19.428 27.642 -41.1027 52.7014 -41.1027 9.56195 GPRESSAVG: 3689600 -20.032 18.1526 53.4396 20.2886 28.6075 -40.7076 51.7146 -41.0294 7.2788 TIMING: 3689600 CPU: 11526.6, 0.00307968/step Wall: 11526.6, 0.00307968/step, 1.121 hours remaining, 234.941406 MB of memory in use. ENERGY: 3689600 4018.6261 20530.9784 14493.6133 244.5808 -203057.9199 2514.5667 0.0000 0.0000 52206.2984 -109049.2564 300.0303 -161255.5547 -108685.7327 299.8393 -40.0280 -17.5661 762634.9541 5.3524 5.2848 PRESSURE: 3689800 -93.7904 81.7249 325.196 81.7253 -124.995 141.173 325.196 141.173 52.059 GPRESSURE: 3689800 -142.185 151.733 269.667 -90.9751 -26.9411 172.875 333.983 84.6697 75.88 PRESSAVG: 3689800 32.8919 11.1027 35.5329 11.1026 -19.7406 3.72175 35.5329 3.72172 -17.77 GPRESSAVG: 3689800 32.0045 11.399 34.1018 10.3832 -18.9933 5.83809 35.0529 2.601 -17.1249 TIMING: 3689800 CPU: 11527.2, 0.00307791/step Wall: 11527.2, 0.00307791/step, 1.12019 hours remaining, 234.941406 MB of memory in use. ENERGY: 3689800 3925.4261 20341.5811 14479.4509 264.9819 -203085.8690 2451.4250 0.0000 0.0000 52137.5747 -109485.4294 299.6354 -161623.0041 -109122.3646 299.1818 -55.5754 -31.0821 761856.8843 -1.5396 -1.3713 PRESSURE: 3690000 203.171 -144.919 -62.991 -144.92 -38.5621 189.074 -62.9904 189.074 33.9136 GPRESSURE: 3690000 159.103 -88.1872 -8.90034 -187.338 78.0742 96.2641 27.1107 25.2603 43.1597 PRESSAVG: 3690000 -14.8989 -1.82447 37.0971 -1.82444 -21.5547 14.175 37.097 14.175 -2.93952 GPRESSAVG: 3690000 -16.2901 0.470351 36.3972 -2.45773 -21.6909 12.1939 40.0312 14.1771 -2.04388 TIMING: 3690000 CPU: 11527.8, 0.0030878/step Wall: 11527.8, 0.0030878/step, 1.12362 hours remaining, 234.941406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3690000 4015.7802 20586.4843 14470.1464 240.4256 -203951.6822 3175.7474 0.0000 0.0000 52013.3223 -109449.7759 298.9213 -161463.0982 -109103.3891 298.9069 66.1740 93.4456 762312.3592 -13.1310 -13.3416 PRESSURE: 3690200 70.2374 1.28741 6.1487 1.28678 4.54077 79.7442 6.14865 79.7464 -76.8763 GPRESSURE: 3690200 100.612 -29.6259 29.8047 -158.291 -7.80861 25.6928 -34.6696 145.394 -8.9865 PRESSAVG: 3690200 -32.4261 42.906 14.7172 42.9059 31.2741 31.1587 14.7173 31.1587 3.79897 GPRESSAVG: 3690200 -31.6676 41.9909 14.5977 44.6808 31.4159 31.6551 14.2549 31.6531 2.88706 TIMING: 3690200 CPU: 11528.4, 0.00309198/step Wall: 11528.4, 0.00309198/step, 1.12497 hours remaining, 234.941406 MB of memory in use. ENERGY: 3690200 3956.6871 20645.6384 14455.9486 253.8395 -203526.7861 2705.1290 0.0000 0.0000 51925.6852 -109583.8583 298.4176 -161509.5435 -109224.0796 298.4142 -0.6994 27.9389 761995.7515 0.8823 0.8785 PRESSURE: 3690400 1.47422 321.396 25.3203 321.396 -264.995 54.4831 25.3194 54.4843 -7.03643 GPRESSURE: 3690400 59.0303 308.335 81.8827 347.418 -209.474 52.838 131.683 20.3255 -50.6962 PRESSAVG: 3690400 -25.9424 24.801 -6.68162 24.801 28.0862 -4.73947 -6.68155 -4.73944 -22.7716 GPRESSAVG: 3690400 -26.7766 23.4455 -5.14791 25.2711 28.6737 -4.33301 -6.97139 -6.47118 -22.3523 TIMING: 3690400 CPU: 11529, 0.00309174/step Wall: 11529, 0.00309174/step, 1.12471 hours remaining, 234.941406 MB of memory in use. ENERGY: 3690400 3944.9409 20392.5965 14552.3189 250.4308 -203473.0184 2568.4330 0.0000 0.0000 52275.5807 -109488.7176 300.4285 -161764.2982 -109123.0424 299.1344 -90.1859 -67.0466 762920.2365 -6.8759 -6.8184 PRESSURE: 3690600 -173.598 -113.196 109.237 -113.196 69.1438 -147.838 109.237 -147.838 -326.862 GPRESSURE: 3690600 -114.776 -1.03865 105.295 -155.422 119.841 -75.1923 69.521 -240.7 -338.951 PRESSAVG: 3690600 -1.33087 18.2221 4.66832 18.2221 -5.4052 18.0587 4.66829 18.0587 16.3579 GPRESSAVG: 3690600 0.152993 17.6858 3.64808 19.598 -7.08073 17.1533 2.99489 20.2399 16.6181 TIMING: 3690600 CPU: 11529.6, 0.00307539/step Wall: 11529.6, 0.00307539/step, 1.11859 hours remaining, 234.941406 MB of memory in use. ENERGY: 3690600 3949.3032 20349.5516 14531.9844 251.7371 -203277.6629 2820.9600 0.0000 0.0000 52088.1193 -109286.0073 299.3511 -161374.1266 -108912.2611 298.9331 -143.7721 -111.2951 763515.5739 3.2073 3.2301 PRESSURE: 3690800 -201.353 24.4382 -216.822 24.4386 -129.913 -37.9619 -216.822 -37.9628 -229.666 GPRESSURE: 3690800 -168.829 132.466 -177.998 -39.3221 -24.9559 -94.8227 -152.723 47.6704 -262.427 PRESSAVG: 3690800 -2.57539 -10.0074 -39.375 -10.0074 -33.1149 65.1726 -39.375 65.1727 18.9049 GPRESSAVG: 3690800 -2.94771 -6.42229 -39.9525 -12.1862 -32.8187 65.1823 -36.8227 64.4918 19.1703 TIMING: 3690800 CPU: 11530.3, 0.00308222/step Wall: 11530.3, 0.00308221/step, 1.1209 hours remaining, 234.941406 MB of memory in use. ENERGY: 3690800 4023.8637 20488.8412 14429.3762 247.4337 -203045.7701 2720.6012 0.0000 0.0000 51791.0763 -109344.5777 297.6440 -161135.6540 -108990.4779 299.0509 -186.9770 -152.0703 764226.6591 -5.5951 -5.5320 PRESSURE: 3691000 15.2235 91.9983 1.34674 91.998 -18.7794 -178.39 1.34699 -178.389 53.6332 GPRESSURE: 3691000 -47.5572 33.176 -59.0131 193.49 34.5421 -196.499 -14.8989 -119.585 142.712 PRESSAVG: 3691000 -10.4602 12.9111 9.39531 12.9111 10.8377 3.64895 9.39523 3.64889 -3.16008 GPRESSAVG: 3691000 -9.68203 10.6772 9.3078 14.2512 12.2393 3.62041 8.44217 2.86124 -5.0261 TIMING: 3691000 CPU: 11530.9, 0.0030944/step Wall: 11530.9, 0.0030944/step, 1.12516 hours remaining, 234.941406 MB of memory in use. ENERGY: 3691000 3927.1292 20588.9646 14482.3959 241.0116 -203313.6057 2771.3526 0.0000 0.0000 52054.3590 -109248.3928 299.1571 -161302.7518 -108885.0816 299.0876 16.6924 43.2322 764511.0748 -0.9275 -0.8229 PRESSURE: 3691200 126.458 161.391 -76.5882 161.391 241.089 186.692 -76.5882 186.692 8.303 GPRESSURE: 3691200 225.97 182.455 -73.2165 128.504 197.952 212.505 41.4558 204.848 58.9112 PRESSAVG: 3691200 31.9273 32.2105 -26.8591 32.2105 -14.3465 9.49922 -26.8591 9.49927 -20.947 GPRESSAVG: 3691200 30.5768 33.9507 -24.9449 30.1965 -15.6297 10.3173 -26.8036 8.81113 -18.5262 TIMING: 3691200 CPU: 11531.5, 0.0030995/step Wall: 11531.5, 0.0030995/step, 1.12684 hours remaining, 234.941406 MB of memory in use. ENERGY: 3691200 3895.3457 20453.5055 14476.0220 256.9119 -203270.6071 2613.0817 0.0000 0.0000 52293.2058 -109282.5345 300.5298 -161575.7403 -108912.9299 298.8622 125.2832 160.9443 763564.0775 -1.1221 -1.1930 PRESSURE: 3691400 17.1043 -18.9229 -66.7618 -18.9235 241.623 64.0285 -66.7617 64.0282 -238.819 GPRESSURE: 3691400 127.072 8.65511 -60.738 30.8018 213.395 86.2078 -63.7515 184.005 -253.413 PRESSAVG: 3691400 52.2857 33.6466 -11.7444 33.6466 2.17907 18.5438 -11.7445 18.5438 -8.39392 GPRESSAVG: 3691400 53.5162 33.5595 -11.6992 35.1243 0.889575 19.2979 -13.2903 17.7725 -8.11402 TIMING: 3691400 CPU: 11532.1, 0.00312075/step Wall: 11532.1, 0.00312075/step, 1.13439 hours remaining, 234.941406 MB of memory in use. ENERGY: 3691400 3959.9135 20369.9557 14459.5143 261.9061 -203212.0890 2543.7543 0.0000 0.0000 52160.6824 -109456.3627 299.7682 -161617.0451 -109088.4797 299.4392 6.6359 29.0180 763637.7945 15.3570 15.4306 PRESSURE: 3691600 -329.033 56.003 26.9828 56.0029 68.7291 158.38 26.9828 158.382 -110.487 GPRESSURE: 3691600 -275.469 154.258 -37.3358 40.761 63.0673 136.829 59.666 -68.7465 -70.159 PRESSAVG: 3691600 23.574 33.9805 26.5807 33.9805 28.7386 25.142 26.5807 25.1421 4.19343 GPRESSAVG: 3691600 23.5938 33.3292 25.7541 33.5878 30.0528 24.1517 30.9392 24.9554 3.3107 TIMING: 3691600 CPU: 11532.7, 0.00309297/step Wall: 11532.7, 0.00309297/step, 1.12412 hours remaining, 234.941406 MB of memory in use. ENERGY: 3691600 4012.8017 20559.7509 14508.7876 268.9932 -203282.3759 2467.9715 0.0000 0.0000 52002.9981 -109461.0729 298.8619 -161464.0711 -109095.5203 299.2716 -123.5971 -94.1868 762310.7584 18.8353 18.9858 PRESSURE: 3691800 -196.241 -251.079 -149.031 -251.078 -6.19698 151.726 -149.031 151.726 -92.8968 GPRESSURE: 3691800 -104.78 -75.0629 -95.5109 -164.545 -15.8238 160.896 -192.904 278.159 -103.847 PRESSAVG: 3691800 -4.03228 -8.32337 30.7442 -8.32334 6.03387 53.3036 30.7441 53.3036 3.32683 GPRESSAVG: 3691800 -3.83407 -6.19746 31.2691 -8.78825 6.53513 54.4011 28.6324 55.4569 2.73896 TIMING: 3691800 CPU: 11533.4, 0.00311397/step Wall: 11533.4, 0.00311397/step, 1.13158 hours remaining, 235.199219 MB of memory in use. ENERGY: 3691800 4030.9704 20461.3317 14480.0561 270.8620 -203599.6999 2868.3568 0.0000 0.0000 52048.9124 -109439.2106 299.1258 -161488.1229 -109075.5709 298.4043 -98.4448 -74.8169 763068.4437 1.7761 1.8133 PRESSURE: 3692000 27.6206 -55.5214 67.5784 -55.5226 -105.873 76.2206 67.578 76.2208 -97.3801 GPRESSURE: 3692000 84.1547 -23.469 95.3629 -47.7879 -15.5637 58.0232 121.47 -10.4066 -145.02 PRESSAVG: 3692000 56.9162 -0.38811 18.1435 -0.388112 -15.6884 -1.89125 18.1435 -1.89128 -26.8944 GPRESSAVG: 3692000 55.6112 -0.799224 17.9499 -0.909787 -15.8088 -3.00509 18.1852 -1.77539 -25.5433 TIMING: 3692000 CPU: 11534, 0.00310646/step Wall: 11534, 0.00310646/step, 1.12868 hours remaining, 235.199219 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: 3692000 4034.1216 20630.0225 14522.5527 265.8710 -203092.3282 2622.6729 0.0000 0.0000 51644.6076 -109372.4799 296.8023 -161017.0875 -109009.3091 298.9964 -58.5442 -25.4765 762806.9266 4.7778 4.7530 PRESSURE: 3692200 -58.6165 87.8198 55.6025 87.8197 -353.545 59.0375 55.6029 59.0382 65.9674 GPRESSURE: 3692200 -122.778 -35.8633 -3.30263 37.1383 -309.431 -20.0541 137.391 74.5126 152.009 PRESSAVG: 3692200 51.6355 1.41616 36.8232 1.41618 -13.504 -4.05059 36.8232 -4.05062 9.26635 GPRESSAVG: 3692200 50.9887 -0.786565 37.7348 2.24576 -12.7369 -3.13302 34.4707 -3.92909 8.94223 TIMING: 3692200 CPU: 11534.6, 0.00311323/step Wall: 11534.6, 0.00311323/step, 1.13097 hours remaining, 235.199219 MB of memory in use. ENERGY: 3692200 4048.2607 20419.6261 14486.2130 235.5394 -203048.8361 2590.5115 0.0000 0.0000 52003.0759 -109265.6095 298.8624 -161268.6854 -108901.2357 298.4721 -115.3979 -93.3999 764778.7145 15.7993 15.7313 LDB: ============= START OF LOAD BALANCING ============== 11547.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11547.1 LDB: =============== DONE WITH MIGRATION ================ 11547.1 LDB: ============= START OF LOAD BALANCING ============== 11547.4 LDB: Largest compute 6998 load 0.028847 is 14.8% of average load 0.195295 LDB: Average compute 0.004372 is 2.2% of average load 0.195295 LDB: TIME 11547.4 LOAD: AVG 0.195295 MAX 0.212691 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.73 MB LDB: TIME 11547.4 LOAD: AVG 0.195295 MAX 0.212691 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.734 MB LDB: TIME 11547.4 LOAD: AVG 0.195295 MAX 0.212691 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.734 MB LDB: ============== END OF LOAD BALANCING =============== 11547.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11547.4 PRESSURE: 3692400 206.702 18.0811 11.137 18.0815 -33.4566 -62.7299 11.1373 -62.7301 112.109 GPRESSURE: 3692400 220.983 8.52565 11.9564 137.976 -11.5754 -63.7775 71.1841 19.1969 150.54 PRESSAVG: 3692400 4.75297 -38.4472 -3.34569 -38.4471 -2.7592 -27.3632 -3.34577 -27.3631 -10.6974 GPRESSAVG: 3692400 4.92753 -37.6831 -5.38175 -36.6889 -3.68615 -27.1793 -1.62872 -28.8932 -10.1325 TIMING: 3692400 CPU: 11535.2, 0.00318091/step Wall: 11535.2, 0.00318091/step, 1.15538 hours remaining, 235.015625 MB of memory in use. ENERGY: 3692400 3968.0994 20579.2919 14472.7711 241.8679 -203479.1778 3173.6095 0.0000 0.0000 51746.3948 -109297.1433 297.3872 -161043.5381 -108932.0319 298.9415 95.1181 119.9825 765928.8324 -2.9012 -2.9637 PRESSURE: 3692600 31.9426 -49.1205 161.349 -49.1209 -40.7621 39.2885 161.349 39.2886 -196.55 GPRESSURE: 3692600 24.5701 6.84287 169.494 -21.2347 -75.1842 19.855 166.331 74.9789 -73.8457 PRESSAVG: 3692600 -9.09442 -14.2191 -15.5169 -14.219 -1.99364 40.9574 -15.5169 40.9575 -5.71567 GPRESSAVG: 3692600 -8.67292 -13.1921 -12.7826 -14.1017 -1.51763 39.8771 -16.1019 41.1722 -5.79624 TIMING: 3692600 CPU: 11535.9, 0.00312883/step Wall: 11535.9, 0.00312883/step, 1.13629 hours remaining, 235.015625 MB of memory in use. ENERGY: 3692600 3977.9190 20550.0572 14485.4238 253.0500 -203159.8934 2687.3760 0.0000 0.0000 52036.9535 -109169.1140 299.0571 -161206.0675 -108807.0391 299.0576 -68.4564 -41.4866 764250.4210 -5.6012 -5.3289 PRESSURE: 3692800 177.463 12.8357 61.2389 12.8359 185.218 107.588 61.2401 107.589 480.568 GPRESSURE: 3692800 291.406 -3.98768 33.4939 -56.9132 164.884 -31.3934 132.255 126.02 461.524 PRESSAVG: 3692800 -7.50675 -3.90525 -38.4988 -3.90528 -21.2993 20.7105 -38.4989 20.7105 4.75536 GPRESSAVG: 3692800 -6.61685 -5.01642 -41.4557 -4.24854 -21.9023 18.9163 -39.4583 21.6226 4.30478 TIMING: 3692800 CPU: 11536.5, 0.00310781/step Wall: 11536.5, 0.00310781/step, 1.12848 hours remaining, 235.015625 MB of memory in use. ENERGY: 3692800 3975.1636 20505.3732 14472.6630 248.8519 -203678.1676 2873.5066 0.0000 0.0000 52441.6381 -109160.9711 301.3828 -161602.6092 -108785.9574 299.0770 281.0827 305.9379 763362.3065 -8.0169 -8.0715 PRESSURE: 3693000 -436.621 154.812 127.441 154.811 52.8141 -237.621 127.442 -237.622 -64.8914 GPRESSURE: 3693000 -439.709 127.787 134.43 170.171 108.546 -193.508 11.6158 -247.107 -23.8245 PRESSAVG: 3693000 -13.8084 -16.8292 -16.0076 -16.8291 47.316 20.7456 -16.0077 20.7456 5.5033 GPRESSAVG: 3693000 -15.1425 -16.6768 -14.248 -17.7333 47.402 21.1433 -16.4891 18.1315 6.80708 TIMING: 3693000 CPU: 11537.1, 0.00310369/step Wall: 11537.1, 0.00310369/step, 1.12681 hours remaining, 235.015625 MB of memory in use. ENERGY: 3693000 3988.0404 20511.6982 14577.8702 255.6933 -202835.2072 2623.6972 0.0000 0.0000 51976.2713 -108901.9368 298.7083 -160878.2081 -108532.0683 299.3207 -149.5661 -118.3294 763479.0486 13.0036 13.0222 PRESSURE: 3693200 13.2098 3.86809 32.3108 3.86737 -296.601 -269.676 32.3111 -269.675 177.908 GPRESSURE: 3693200 87.0121 23.7668 139.539 -5.07874 -211.22 -288.916 -38.3322 -125.332 92.9948 PRESSAVG: 3693200 19.4507 -28.3131 33.4949 -28.3131 -34.1122 6.86107 33.4949 6.86096 -27.3234 GPRESSAVG: 3693200 20.2693 -27.907 34.4647 -28.5993 -32.8402 7.63474 35.3427 9.42459 -29.2183 TIMING: 3693200 CPU: 11537.7, 0.00312709/step Wall: 11537.7, 0.00312709/step, 1.13513 hours remaining, 235.015625 MB of memory in use. ENERGY: 3693200 3967.4238 20538.9490 14423.5079 256.1478 -202878.5961 2476.5687 0.0000 0.0000 52115.4465 -109100.5524 299.5082 -161215.9989 -108736.9221 299.4326 -35.1611 -10.4044 763140.2751 -13.9950 -13.9297 PRESSURE: 3693400 -300.959 250.853 136.533 250.853 -206.014 -90.9433 136.533 -90.9443 -164.277 GPRESSURE: 3693400 -204.675 214.566 140.814 154.96 -183.861 -109.128 86.6005 -139.862 -200.186 PRESSAVG: 3693400 19.6785 -7.85335 61.9565 -7.85334 -4.34045 9.46122 61.9565 9.46121 2.41181 GPRESSAVG: 3693400 20.5669 -9.96726 60.1732 -7.37792 -4.9465 11.5973 60.6007 8.96388 1.89495 TIMING: 3693400 CPU: 11538.4, 0.00312252/step Wall: 11538.4, 0.00312252/step, 1.1333 hours remaining, 235.015625 MB of memory in use. ENERGY: 3693400 4063.5603 20552.7829 14515.4341 245.7959 -203263.9205 2726.8899 0.0000 0.0000 52005.7122 -109153.7452 298.8775 -161159.4575 -108800.7266 299.3658 -223.7499 -196.2410 763761.0806 5.9166 5.8384 PRESSURE: 3693600 -78.4515 71.7173 -349.773 71.7164 -447.067 26.1091 -349.773 26.1098 -65.1487 GPRESSURE: 3693600 6.17989 87.5722 -233.717 18.4138 -425.573 19.9678 -301.26 -43.7804 -66.1562 PRESSAVG: 3693600 -8.06551 26.035 -18.8972 26.0349 17.3277 -2.82272 -18.8972 -2.82257 -6.57996 GPRESSAVG: 3693600 -8.2417 27.458 -18.4135 25.5969 16.3975 -3.37793 -17.5365 -2.92665 -5.70024 TIMING: 3693600 CPU: 11539, 0.0031178/step Wall: 11539, 0.0031178/step, 1.13142 hours remaining, 235.015625 MB of memory in use. ENERGY: 3693600 4012.1866 20482.5790 14495.1294 264.3208 -202834.8101 2458.8819 0.0000 0.0000 51925.1288 -109196.5835 298.4144 -161121.7123 -108823.3643 299.0166 -196.8890 -161.8497 763908.3268 0.8941 0.8185 PRESSURE: 3693800 -21.4254 -219.177 -49.5976 -219.176 259.465 -279.684 -49.5974 -279.684 79.4838 GPRESSURE: 3693800 -84.6227 -148.835 -34.2957 -65.0754 344.625 -347.417 -11.2331 -273.141 140.021 PRESSAVG: 3693800 -25.2963 24.1468 -21.5339 24.1468 4.02852 -31.3687 -21.5339 -31.3687 8.74856 GPRESSAVG: 3693800 -26.2457 24.5031 -22.836 25.6984 4.76403 -32.5305 -23.0289 -33.5266 9.47535 TIMING: 3693800 CPU: 11539.6, 0.00312833/step Wall: 11539.6, 0.00312833/step, 1.13506 hours remaining, 235.015625 MB of memory in use. ENERGY: 3693800 3908.1630 20685.2255 14462.9847 266.6506 -203670.7014 2806.7186 0.0000 0.0000 52100.4917 -109440.4674 299.4222 -161540.9591 -109080.2528 299.0381 105.8413 133.3411 761480.9177 -4.1731 -4.0021 PRESSURE: 3694000 233.215 -52.149 73.1134 -52.149 14.8984 -63.3107 73.1136 -63.3105 160.232 GPRESSURE: 3694000 225.159 -57.259 67.3277 -38.3999 65.8745 54.6243 -27.2458 -95.572 215.785 PRESSAVG: 3694000 -0.718305 18.9622 -5.04806 18.9622 16.8506 -8.96303 -5.04807 -8.96308 -29.384 GPRESSAVG: 3694000 -0.0661644 17.7082 -4.55871 17.8304 16.7498 -8.29555 -4.46894 -7.68863 -29.7356 TIMING: 3694000 CPU: 11540.2, 0.00310651/step Wall: 11540.2, 0.00310651/step, 1.12697 hours remaining, 235.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3694000 3991.9568 20501.2432 14456.0486 244.7584 -203549.2835 2771.3666 0.0000 0.0000 52106.8066 -109477.1033 299.4585 -161583.9099 -109117.0927 298.9281 136.1150 168.9394 762123.2225 -4.4172 -4.3507 PRESSURE: 3694200 -169.428 72.2909 -22.4263 72.2904 160.631 10.4717 -22.4251 10.4719 81.3176 GPRESSURE: 3694200 -205.283 66.6524 -68.6367 136.151 145.386 -17.0741 -4.70001 -101.021 211.219 PRESSAVG: 3694200 -31.1179 -2.54112 -2.26167 -2.54109 36.7141 -52.771 -2.26166 -52.771 27.0237 GPRESSAVG: 3694200 -31.2793 -2.4129 -2.6378 -1.88732 37.0899 -53.5515 -1.47511 -52.9611 27.2231 TIMING: 3694200 CPU: 11540.8, 0.0031131/step Wall: 11540.8, 0.0031131/step, 1.12919 hours remaining, 235.015625 MB of memory in use. ENERGY: 3694200 3998.0324 20568.1805 14479.8073 256.2783 -203604.2006 2793.5870 0.0000 0.0000 51972.8238 -109535.4912 298.6885 -161508.3151 -109179.4303 298.9304 24.1737 50.4404 760481.9908 10.8733 11.0113 PRESSURE: 3694400 213.337 -39.2769 159.235 -39.2773 -31.3134 162.449 159.233 162.45 80.9174 GPRESSURE: 3694400 248.217 17.786 47.8192 -105.753 -18.5059 136.78 168.635 7.44808 104.231 PRESSAVG: 3694400 -21.4029 -48.1124 -33.1538 -48.1124 80.1876 23.6835 -33.1538 23.6835 -2.68484 GPRESSAVG: 3694400 -21.3047 -47.5289 -34.3201 -48.0966 79.875 24.2221 -32.7492 21.8077 -2.07971 TIMING: 3694400 CPU: 11541.5, 0.00311228/step Wall: 11541.5, 0.00311228/step, 1.12872 hours remaining, 235.015625 MB of memory in use. ENERGY: 3694400 3933.5406 20529.1310 14503.8735 231.8424 -203270.2144 2500.7236 0.0000 0.0000 52063.2765 -109507.8267 299.2084 -161571.1032 -109138.4553 298.7097 87.6471 111.3142 763058.7290 18.6999 18.8302 PRESSURE: 3694600 56.7183 -102.735 266.64 -102.734 136.911 113.96 266.641 113.959 115.063 GPRESSURE: 3694600 145.187 -12.9601 281.673 -100.469 93.576 92.4788 202.05 124.645 156.307 PRESSAVG: 3694600 -70.464 30.4028 31.9362 30.4027 12.3536 -21.2455 31.9362 -21.2454 -21.5523 GPRESSAVG: 3694600 -69.6193 30.6474 31.7285 28.4513 12.3237 -21.9146 33.3194 -18.8403 -22.3293 TIMING: 3694600 CPU: 11542.1, 0.00310284/step Wall: 11542.1, 0.00310284/step, 1.12512 hours remaining, 235.015625 MB of memory in use. ENERGY: 3694600 3935.7097 20680.9674 14566.4687 243.7778 -203446.2407 2661.5276 0.0000 0.0000 52055.3773 -109302.4122 299.1630 -161357.7895 -108941.4647 299.3166 102.8974 131.6902 763603.5301 -26.5542 -26.5416 PRESSURE: 3694800 4.68001 -192.116 54.9922 -192.117 119.499 -280.869 54.9925 -280.869 287.96 GPRESSURE: 3694800 144.493 -199.239 38.6635 -100.551 28.082 -284.833 -18.9634 -249.649 308.368 PRESSAVG: 3694800 -10.9948 -13.0956 -8.08647 -13.0957 11.2242 -46.8173 -8.08654 -46.8172 -19.9412 GPRESSAVG: 3694800 -10.6441 -12.368 -5.25304 -11.7367 11.583 -47.0344 -11.8591 -45.6432 -20.2495 TIMING: 3694800 CPU: 11542.7, 0.00310802/step Wall: 11542.7, 0.00310802/step, 1.12683 hours remaining, 235.015625 MB of memory in use. ENERGY: 3694800 3941.1548 20670.8743 14402.4345 249.1211 -203513.3468 2764.1923 0.0000 0.0000 52158.2564 -109327.3134 299.7542 -161485.5697 -108973.7934 299.3875 137.3798 160.3143 762767.8213 -6.5706 -6.4369 PRESSURE: 3695000 31.187 -251.319 -146.975 -251.319 52.0366 116.106 -146.976 116.106 59.2328 GPRESSURE: 3695000 129.405 -229.872 -133.037 -340.191 43.1969 104.521 -49.385 -26.1337 60.0854 PRESSAVG: 3695000 -8.09354 -40.89 32.8992 -40.89 18.4228 15.4678 32.8992 15.4679 -7.46667 GPRESSAVG: 3695000 -7.91291 -42.0127 31.3577 -40.0515 18.5665 16.4273 33.9692 12.9054 -7.96419 TIMING: 3695000 CPU: 11543.3, 0.00311/step Wall: 11543.3, 0.00311/step, 1.12738 hours remaining, 235.015625 MB of memory in use. ENERGY: 3695000 3965.5852 20496.0164 14599.6789 245.2301 -203211.2622 2669.4911 0.0000 0.0000 51967.2506 -109268.0100 298.6565 -161235.2606 -108907.0555 299.4191 47.4855 77.5625 762294.3368 0.9542 0.8965 PRESSURE: 3695200 -106.293 6.80587 162.998 6.80612 -258.852 4.8652 162.998 4.86463 -318.53 GPRESSURE: 3695200 -134.866 26.934 114.943 18.7089 -225.592 -57.4148 295.906 29.6633 -234.751 PRESSAVG: 3695200 -25.8268 22.2014 41.3225 22.2015 -16.607 -11.9516 41.3225 -11.9516 -5.91344 GPRESSAVG: 3695200 -26.4685 21.9778 42.5401 22.4253 -15.6247 -12.2696 42.2082 -10.7789 -6.30975 TIMING: 3695200 CPU: 11544, 0.00311408/step Wall: 11544, 0.00311408/step, 1.12868 hours remaining, 235.015625 MB of memory in use. ENERGY: 3695200 3958.2836 20400.8760 14587.6824 259.9224 -203126.4676 2542.3282 0.0000 0.0000 51996.1333 -109381.2417 298.8225 -161377.3750 -109022.9263 299.2681 -227.8920 -198.4033 762669.2091 -16.1157 -16.1343 PRESSURE: 3695400 6.22866 -47.8057 121.516 -47.8056 74.7909 39.7571 121.515 39.7565 -197.228 GPRESSURE: 3695400 104.676 -64.519 86.8528 5.62914 76.9659 88.869 144.268 10.165 -229.175 PRESSAVG: 3695400 -44.5101 -4.60654 13.4469 -4.60651 29.0027 12.5778 13.4469 12.5778 -17.3558 GPRESSAVG: 3695400 -43.9318 -4.58656 10.6271 -4.08451 27.4529 11.8178 13.8522 13.6559 -16.2751 TIMING: 3695400 CPU: 11544.6, 0.00312758/step Wall: 11544.6, 0.00312757/step, 1.1334 hours remaining, 235.015625 MB of memory in use. ENERGY: 3695400 4008.9366 20434.8429 14567.6937 250.7523 -203782.4895 2960.3593 0.0000 0.0000 52164.3005 -109395.6043 299.7890 -161559.9048 -109041.4057 298.7524 -38.7362 -15.8441 761856.6860 -10.9544 -10.9180 PRESSURE: 3695600 -55.955 -94.5097 192.993 -94.5104 105.55 154.801 192.993 154.801 -84.9432 GPRESSURE: 3695600 -1.01966 -78.824 221.072 -193.354 120.506 155.342 64.6612 56.9515 -80.9751 PRESSAVG: 3695600 12.8451 12.7404 19.2363 12.7404 29.4972 33.6265 19.2363 33.6265 10.3884 GPRESSAVG: 3695600 10.9289 12.4076 19.9955 12.8648 30.4115 35.1419 19.016 32.2531 11.3496 TIMING: 3695600 CPU: 11545.2, 0.00310215/step Wall: 11545.2, 0.00310215/step, 1.12401 hours remaining, 235.015625 MB of memory in use. ENERGY: 3695600 4006.1103 20440.8637 14534.3398 255.2324 -203603.8094 2778.4111 0.0000 0.0000 52349.5238 -109239.3283 300.8534 -161588.8520 -108869.7274 299.6119 -11.7829 12.8370 763001.7574 17.5769 17.5633 PRESSURE: 3695800 -262.32 296.558 7.15149 296.558 -413.753 -54.6128 7.15152 -54.6132 -216.256 GPRESSURE: 3695800 -253.476 195.461 -79.7033 322.131 -432.665 -62.808 -17.9955 -4.48391 -122.585 PRESSAVG: 3695800 -44.1117 -41.6638 -1.4588 -41.6638 35.9509 50.0591 -1.45882 50.0592 -13.0087 GPRESSAVG: 3695800 -42.9178 -42.8211 -0.197478 -40.6384 34.391 48.8728 -2.85025 49.0401 -13.1881 TIMING: 3695800 CPU: 11545.8, 0.00311032/step Wall: 11545.8, 0.00311032/step, 1.1268 hours remaining, 235.015625 MB of memory in use. ENERGY: 3695800 3983.7520 20646.2383 14480.3282 269.9272 -203273.3181 2617.7721 0.0000 0.0000 51966.3472 -109308.9531 298.6513 -161275.3003 -108956.1073 299.2689 -297.4429 -269.5752 762495.4933 -7.0565 -7.2383 PRESSURE: 3696000 246.29 132.561 87.9401 132.56 135.247 -3.98252 87.9393 -3.98197 514.723 GPRESSURE: 3696000 299.755 89.8036 62.3017 126.122 206.926 9.68316 -4.64883 -27.2459 475.122 PRESSAVG: 3696000 53.1929 29.5987 -23.4657 29.5987 -63.084 -32.1605 -23.4657 -32.1604 -4.80653 GPRESSAVG: 3696000 52.7534 30.8254 -23.7666 27.1072 -62.2755 -30.1206 -24.4767 -31.2248 -5.19862 TIMING: 3696000 CPU: 11546.4, 0.00307947/step Wall: 11546.4, 0.00307947/step, 1.11545 hours remaining, 235.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3696000 4001.5300 20188.6026 14563.9250 245.9149 -203508.5529 2996.2970 0.0000 0.0000 52344.6145 -109167.6689 300.8252 -161512.2834 -108795.7018 299.5581 298.7534 327.2675 761326.6685 -4.8992 -4.9069 PRESSURE: 3696200 45.0384 -52.301 -214.447 -52.3015 112.17 141.854 -214.446 141.855 185.21 GPRESSURE: 3696200 97.9494 -32.1797 -98.3408 81.6144 60.6819 256.527 -170.966 15.0449 269.901 PRESSAVG: 3696200 30.7793 -25.602 42.8154 -25.602 -24.0602 -31.3113 42.8153 -31.3113 13.0645 GPRESSAVG: 3696200 30.0925 -26.6507 43.3741 -23.7295 -23.8999 -31.3026 43.618 -32.8238 13.536 TIMING: 3696200 CPU: 11547.1, 0.0031458/step Wall: 11547.1, 0.0031458/step, 1.1393 hours remaining, 235.015625 MB of memory in use. ENERGY: 3696200 3949.2029 20499.9090 14426.1439 239.5781 -202968.8239 2527.5553 0.0000 0.0000 52075.4107 -109251.0240 299.2781 -161326.4347 -108873.6086 299.0759 114.1396 142.8442 763322.8836 6.5945 6.5762 LDB: ============= START OF LOAD BALANCING ============== 11559.6 LDB: ============== END OF LOAD BALANCING =============== 11559.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11559.6 LDB: ============= START OF LOAD BALANCING ============== 11559.9 LDB: Largest compute 7007 load 0.030118 is 15.4% of average load 0.195259 LDB: Average compute 0.004372 is 2.2% of average load 0.195259 LDB: TIME 11559.9 LOAD: AVG 0.195259 MAX 0.211536 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.16 MB LDB: TIME 11559.9 LOAD: AVG 0.195259 MAX 0.211536 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.16 MB LDB: TIME 11559.9 LOAD: AVG 0.195259 MAX 0.211536 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.16 MB LDB: ============== END OF LOAD BALANCING =============== 11559.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11559.9 PRESSURE: 3696400 -3.90577 -148.659 208.533 -148.659 -108.885 128.076 208.533 128.075 -96.5031 GPRESSURE: 3696400 -71.199 -133.096 189.798 21.3974 15.5247 78.6417 24.889 43.3115 -68.3229 PRESSAVG: 3696400 13.7366 -54.1273 12.6701 -54.1273 -16.2777 25.9591 12.6701 25.9591 6.56239 GPRESSAVG: 3696400 13.4839 -52.306 10.7049 -55.0064 -16.3235 24.362 13.7024 27.5185 6.07091 TIMING: 3696400 CPU: 11547.7, 0.00318942/step Wall: 11547.7, 0.00318942/step, 1.15492 hours remaining, 234.773438 MB of memory in use. ENERGY: 3696400 3968.6166 20425.8330 14539.7574 229.1871 -203088.2552 2530.0544 0.0000 0.0000 52456.5168 -108938.2898 301.4683 -161394.8066 -108570.2556 299.4574 -69.7645 -41.3324 763213.7038 1.3404 1.0771 PRESSURE: 3696600 45.5044 141.451 271.131 141.451 29.7146 -517.664 271.132 -517.664 -333.36 GPRESSURE: 3696600 155.648 -49.217 255.177 86.5069 -3.83102 -405.793 136.949 -499.215 -338.136 PRESSAVG: 3696600 7.83895 -19.386 -8.12806 -19.386 10.68 -2.85851 -8.12804 -2.8586 22.5917 GPRESSAVG: 3696600 8.56424 -21.2743 -6.15744 -18.992 9.58747 -2.91628 -8.53204 -3.34071 22.5369 TIMING: 3696600 CPU: 11548.3, 0.00309179/step Wall: 11548.3, 0.0030918/step, 1.1194 hours remaining, 234.773438 MB of memory in use. ENERGY: 3696600 3960.0585 20496.1208 14443.9836 234.8763 -203130.0896 2734.0930 0.0000 0.0000 52118.8382 -109142.1193 299.5277 -161260.9575 -108780.2174 299.6420 -86.0469 -62.1064 763320.0949 13.7035 13.5629 PRESSURE: 3696800 125.004 -154.612 70.7925 -154.612 -97.3231 78.7762 70.7928 78.776 66.8829 GPRESSURE: 3696800 152.656 -95.9101 50.6836 -135.291 -49.9088 35.195 136.104 69.3318 62.9835 PRESSAVG: 3696800 20.6137 -25.0134 59.6223 -25.0134 -0.473004 -0.0461651 59.6223 -0.0461769 2.66879 GPRESSAVG: 3696800 19.6859 -25.3453 59.6019 -26.2953 -0.266187 -1.12834 59.2972 1.40384 3.24185 TIMING: 3696800 CPU: 11548.9, 0.00310383/step Wall: 11548.9, 0.00310383/step, 1.12359 hours remaining, 234.773438 MB of memory in use. ENERGY: 3696800 4071.8121 20470.7551 14501.3206 242.8084 -203282.0252 2597.9681 0.0000 0.0000 52022.8686 -109374.4923 298.9761 -161397.3609 -109019.3776 298.8255 31.5214 55.2435 762084.8034 7.6032 7.5538 PRESSURE: 3697000 -107.182 24.256 120.477 24.2553 -235.947 -135.005 120.477 -135.006 34.4921 GPRESSURE: 3697000 -39.5693 90.3415 68.4813 41.5826 -298.81 -133.653 155.245 -13.5815 99.7689 PRESSAVG: 3697000 -5.37139 -73.1186 47.5979 -73.1186 37.3118 -41.3047 47.5979 -41.3047 33.5236 GPRESSAVG: 3697000 -4.84892 -72.5994 47.636 -72.6165 37.5068 -42.5782 47.3785 -41.5962 32.1887 TIMING: 3697000 CPU: 11549.6, 0.00311242/step Wall: 11549.6, 0.00311242/step, 1.12652 hours remaining, 234.773438 MB of memory in use. ENERGY: 3697000 3962.4096 20389.6867 14431.0350 250.9798 -202766.7216 2214.2975 0.0000 0.0000 52140.1281 -109378.1848 299.6500 -161518.3129 -109006.8848 298.6149 -102.8790 -79.5367 762454.7822 21.8213 21.6155 PRESSURE: 3697200 79.8886 -119.316 -73.6934 -119.317 -36.9026 -156.592 -73.6943 -156.592 89.3607 GPRESSURE: 3697200 59.1206 -43.6689 -127.626 -134.188 61.3138 -136.632 -46.7536 -246.997 109.575 PRESSAVG: 3697200 -14.2189 -20.0459 37.6617 -20.0459 16.5151 -54.6988 37.6617 -54.6989 21.4783 GPRESSAVG: 3697200 -14.6249 -20.5925 36.055 -21.333 15.5514 -54.1719 37.9602 -56.2834 22.5482 TIMING: 3697200 CPU: 11550.2, 0.00311894/step Wall: 11550.2, 0.00311894/step, 1.12871 hours remaining, 234.773438 MB of memory in use. ENERGY: 3697200 3944.3487 20358.8380 14494.0808 245.5612 -203125.6936 2630.8074 0.0000 0.0000 51951.2368 -109500.8207 298.5645 -161452.0575 -109139.4568 298.4618 44.1156 76.6697 761126.0196 7.9248 7.8249 PRESSURE: 3697400 -42.0651 -2.54352 -22.3118 -2.54423 -109.397 63.256 -22.3116 63.2554 -277.61 GPRESSURE: 3697400 -20.7972 59.2483 29.5198 15.5283 -89.0994 24.4499 73.6157 30.3628 -233.353 PRESSAVG: 3697400 48.0566 -11.4794 -0.44386 -11.4794 -17.478 -52.3522 -0.443802 -52.3522 5.51785 GPRESSAVG: 3697400 47.7998 -10.8507 0.112107 -10.0182 -16.4803 -52.2219 0.635325 -50.7098 4.31026 TIMING: 3697400 CPU: 11550.8, 0.0031139/step Wall: 11550.8, 0.0031139/step, 1.12671 hours remaining, 234.773438 MB of memory in use. ENERGY: 3697400 3983.3270 20571.7244 14468.4801 231.7958 -203263.1196 2819.9792 0.0000 0.0000 52008.4292 -109179.3840 298.8932 -161187.8132 -108821.6108 299.1507 -143.0240 -114.4166 763095.9087 12.0322 11.8766 PRESSURE: 3697600 -371.861 181.661 -103.205 181.661 -184.674 -142.213 -103.205 -142.212 0.00483601 GPRESSURE: 3697600 -349.134 94.6318 -92.2765 142.65 -174.233 -135.317 -72.2969 -162.023 43.3067 PRESSAVG: 3697600 30.6427 45.3326 -4.95101 45.3325 -25.0786 -25.1598 -4.95107 -25.1599 1.34587 GPRESSAVG: 3697600 30.7268 46.3887 -4.31655 44.13 -27.0917 -25.1371 -5.12387 -26.1502 2.91265 TIMING: 3697600 CPU: 11551.4, 0.00311952/step Wall: 11551.4, 0.00311952/step, 1.12857 hours remaining, 234.773438 MB of memory in use. ENERGY: 3697600 4002.3789 20620.7128 14494.7350 239.0656 -203362.0986 2531.2600 0.0000 0.0000 52359.0654 -109114.8809 300.9083 -161473.9463 -108761.5464 299.6848 -185.5103 -160.0200 762595.4019 2.3033 2.1826 PRESSURE: 3697800 20.2136 -119.616 150.815 -119.616 -192.738 -43.9083 150.816 -43.9081 -157.947 GPRESSURE: 3697800 21.1018 -174.279 83.2012 -132.038 -118.754 -81.0224 180.609 -11.0756 -134.902 PRESSAVG: 3697800 -30.0209 -53.4877 64.5946 -53.4876 -7.17845 -7.26377 64.5946 -7.26375 30.2406 GPRESSAVG: 3697800 -31.1826 -56.1185 64.0837 -52.687 -4.70865 -6.5633 64.7817 -6.46088 29.1335 TIMING: 3697800 CPU: 11552.1, 0.00312166/step Wall: 11552.1, 0.00312166/step, 1.12918 hours remaining, 234.773438 MB of memory in use. ENERGY: 3697800 3944.8890 20714.8519 14457.0366 243.9243 -203411.0243 2896.9116 0.0000 0.0000 52130.5846 -109022.8263 299.5952 -161153.4109 -108654.7304 300.1172 -110.1573 -77.5181 764255.8773 -2.3196 -2.2526 PRESSURE: 3698000 -111.53 -313.171 202.689 -313.171 92.4184 -51.0473 202.689 -51.0474 -73.0425 GPRESSURE: 3698000 -65.7892 -433.771 152.543 -230.199 101.743 34.7489 138.375 21.4234 -46.2381 PRESSAVG: 3698000 5.38104 -14.5701 -10.4035 -14.57 -24.0194 -27.6599 -10.4034 -27.6599 1.96483 GPRESSAVG: 3698000 5.57323 -15.6668 -9.25731 -11.6366 -24.15 -28.9585 -13.5169 -28.0373 2.22897 TIMING: 3698000 CPU: 11552.7, 0.0031466/step Wall: 11552.7, 0.0031466/step, 1.13802 hours remaining, 234.773438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3698000 3985.5280 20477.6403 14489.5506 255.2359 -203298.5976 2790.9520 0.0000 0.0000 52330.7820 -108968.9087 300.7457 -161299.6907 -108607.4176 299.6340 -30.7181 -3.4280 762862.9130 -5.5578 -5.4493 PRESSURE: 3698200 39.6111 54.4775 -237.342 54.4771 291.481 -117.041 -237.342 -117.041 119.713 GPRESSURE: 3698200 80.5925 5.45988 -193.468 24.0597 385.914 -141.118 -128.481 -0.524335 80.3036 PRESSAVG: 3698200 -6.91693 -55.807 50.7002 -55.807 16.0433 3.10499 50.7003 3.10504 8.68807 GPRESSAVG: 3698200 -5.62196 -55.6629 48.1678 -58.1402 14.5281 3.65972 55.1535 4.93699 9.68744 TIMING: 3698200 CPU: 11553.3, 0.00311887/step Wall: 11553.3, 0.00311887/step, 1.12782 hours remaining, 234.773438 MB of memory in use. ENERGY: 3698200 4010.1558 20542.5017 14494.9967 239.3555 -203052.3397 2724.0490 0.0000 0.0000 51983.3284 -109057.9526 298.7489 -161041.2810 -108691.1506 299.5692 150.2684 182.2700 763204.2213 5.9382 6.1979 PRESSURE: 3698400 -221.707 82.9402 -98.3229 82.9399 -118.758 107.26 -98.3229 107.261 13.4655 GPRESSURE: 3698400 -194.638 82.2672 -193.456 29.4824 -97.2505 63.1726 -75.0258 61.9472 60.9134 PRESSAVG: 3698400 -19.4199 -0.278333 14.5818 -0.278313 11.1522 8.33819 14.5817 8.33825 5.78428 GPRESSAVG: 3698400 -19.8305 1.58625 16.7988 -1.26921 11.6398 6.17922 12.3896 7.86187 5.80363 TIMING: 3698400 CPU: 11553.9, 0.0031178/step Wall: 11553.9, 0.0031178/step, 1.12726 hours remaining, 234.773438 MB of memory in use. ENERGY: 3698400 4031.7419 20487.5351 14481.4031 263.9629 -203533.8889 2805.7631 0.0000 0.0000 52119.5319 -109343.9509 299.5317 -161463.4828 -108975.4850 299.2756 -108.9997 -76.9916 762658.5964 -0.8278 -0.7957 PRESSURE: 3698600 -208.631 -113.886 61.5567 -113.886 77.2658 -219.331 61.5561 -219.332 403.143 GPRESSURE: 3698600 -89.1852 -73.5325 160.539 -15.0773 103.407 -43.4814 -48.8917 -176.458 326.184 PRESSAVG: 3698600 -37.7287 -64.2536 25.8136 -64.2536 18.6952 -9.89578 25.8135 -9.89584 -9.88547 GPRESSAVG: 3698600 -37.3745 -64.0392 24.6519 -65.3929 19.5641 -8.6871 26.6064 -10.3252 -11.2591 TIMING: 3698600 CPU: 11554.6, 0.00310894/step Wall: 11554.6, 0.00310894/step, 1.12388 hours remaining, 234.773438 MB of memory in use. ENERGY: 3698600 4011.5407 20444.8256 14437.6623 257.3372 -203398.9677 2947.5687 0.0000 0.0000 52045.0363 -109254.9968 299.1035 -161300.0331 -108895.4495 299.3441 90.5924 113.4686 763946.2479 -9.6396 -9.6899 PRESSURE: 3698800 -199.409 -17.2413 -30.0756 -17.2417 42.9974 24.0584 -30.075 24.0591 -210.355 GPRESSURE: 3698800 -143.294 19.5723 -81.0327 -55.1667 89.4176 30.3362 -32.3743 -1.85063 -225.225 PRESSAVG: 3698800 1.17908 6.29633 -37.7054 6.29626 23.5166 -11.1805 -37.7054 -11.1805 -3.64852 GPRESSAVG: 3698800 1.19432 5.69588 -37.1168 6.92134 22.7188 -12.1912 -37.781 -12.0313 -2.70215 TIMING: 3698800 CPU: 11555.2, 0.00311863/step Wall: 11555.2, 0.00311863/step, 1.12721 hours remaining, 234.773438 MB of memory in use. ENERGY: 3698800 4048.5203 20498.5821 14449.1052 234.0097 -203363.6064 2792.5848 0.0000 0.0000 51894.3413 -109446.4630 298.2375 -161340.8043 -109087.1816 299.1393 -122.2557 -93.0338 762335.9942 7.0157 7.0703 PRESSURE: 3699000 -32.1422 21.8563 -11.6565 21.8551 -399.412 -143.995 -11.6574 -143.994 -154.199 GPRESSURE: 3699000 18.2937 160.627 -58.6141 124.287 -348.591 -139.903 90.1768 -135.444 -172.652 PRESSAVG: 3699000 -42.1 -7.81387 3.42585 -7.81382 66.4065 15.5469 3.42588 15.5469 -2.02004 GPRESSAVG: 3699000 -42.0094 -5.8245 2.75784 -6.08475 65.5025 16.3904 2.84877 15.4399 -1.69704 TIMING: 3699000 CPU: 11555.8, 0.00312655/step Wall: 11555.8, 0.00312655/step, 1.1299 hours remaining, 234.773438 MB of memory in use. ENERGY: 3699000 4014.4368 20650.5070 14430.1465 233.7571 -203289.4950 2555.9528 0.0000 0.0000 51961.3095 -109443.3853 298.6224 -161404.6949 -109080.6546 299.3381 -195.2510 -167.6497 761245.5494 7.4288 7.2654 PRESSURE: 3699200 52.6355 375.438 -136.033 375.438 386.878 130.983 -136.033 130.983 203.041 GPRESSURE: 3699200 40.0847 277.72 -71.7391 333.266 529.992 83.2018 -195.071 102.556 159.793 PRESSAVG: 3699200 -10.8355 17.3113 42.5648 17.3113 1.78451 14.639 42.5649 14.6389 6.47727 GPRESSAVG: 3699200 -11.6624 15.0724 42.4194 14.4653 3.43434 15.5371 43.7802 15.7873 5.72485 TIMING: 3699200 CPU: 11556.4, 0.00311356/step Wall: 11556.4, 0.00311356/step, 1.12503 hours remaining, 234.773438 MB of memory in use. ENERGY: 3699200 3889.8991 20601.8852 14437.1932 232.4475 -203256.5849 2702.8549 0.0000 0.0000 51897.7216 -109494.5833 298.2569 -161392.3050 -109140.5209 298.7618 214.1849 243.2897 760762.6755 -0.8579 -0.8344 PRESSURE: 3699400 85.9351 -76.8658 238.475 -76.8653 165.848 51.9832 238.475 51.9821 318.197 GPRESSURE: 3699400 53.6678 -87.0689 195.29 -145.993 251.044 61.3255 108.194 110.343 340.63 PRESSAVG: 3699400 -9.56833 -15.2367 62.9675 -15.2367 48.9646 -41.4054 62.9675 -41.4053 19.694 GPRESSAVG: 3699400 -8.9401 -15.3918 62.7278 -14.4637 48.5428 -41.1159 62.2819 -42.8315 19.7936 TIMING: 3699400 CPU: 11557.1, 0.00312943/step Wall: 11557.1, 0.00312943/step, 1.13059 hours remaining, 234.773438 MB of memory in use. ENERGY: 3699400 3990.5247 20364.0530 14482.7707 251.9628 -203532.9007 2857.4261 0.0000 0.0000 52114.7263 -109471.4372 299.5040 -161586.1635 -109100.9043 298.8837 189.9932 215.1140 760986.5195 19.6967 19.7988 PRESSURE: 3699600 80.6136 25.188 3.96722 25.187 -25.0914 2.06158 3.96758 2.06211 -417.925 GPRESSURE: 3699600 41.5106 4.0177 -104.893 36.332 37.9454 -63.9996 87.7466 -77.199 -353.762 PRESSAVG: 3699600 11.1506 2.26186 7.24522 2.26185 15.6287 19.4319 7.24521 19.4319 -15.0665 GPRESSAVG: 3699600 11.4833 2.40327 7.64274 3.36854 16.3267 18.1315 8.60957 20.9189 -15.7146 TIMING: 3699600 CPU: 11557.7, 0.00311396/step Wall: 11557.7, 0.00311396/step, 1.12483 hours remaining, 234.773438 MB of memory in use. ENERGY: 3699600 3923.5741 20365.6604 14439.3173 261.7476 -203408.0464 2703.8307 0.0000 0.0000 51873.4013 -109840.5150 298.1172 -161713.9162 -109472.4383 298.6395 -120.8010 -91.4354 762673.2220 3.9043 4.0318 PRESSURE: 3699800 -175.988 112.524 313.845 112.523 -7.92257 -279.073 313.845 -279.073 -185.473 GPRESSURE: 3699800 -225.962 -1.11931 268.385 96.187 83.0738 -269.871 182.032 -199.407 -139.549 PRESSAVG: 3699800 -8.61522 9.14958 78.4276 9.14957 29.9325 -37.8769 78.4276 -37.8768 -12.7925 GPRESSAVG: 3699800 -9.17362 9.44372 76.8176 9.18921 29.6065 -37.6137 77.8665 -39.6918 -11.6128 TIMING: 3699800 CPU: 11558.3, 0.00311636/step Wall: 11558.3, 0.00311636/step, 1.12552 hours remaining, 234.773438 MB of memory in use. ENERGY: 3699800 3989.1036 20458.0494 14459.2961 248.8356 -203340.0043 2477.9879 0.0000 0.0000 51777.9919 -109928.7399 297.5688 -161706.7318 -109575.0270 297.7416 -123.1281 -94.1456 761243.1128 2.8416 2.9400 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 3700000 WRITING COORDINATES TO RESTART FILE AT STEP 3700000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3700000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3700000 -273.477 -29.9906 -27.0272 -29.9903 107.255 147.2 -27.0258 147.2 -4.45649 GPRESSURE: 3700000 -223.738 85.8094 -18.8721 2.57666 60.5434 152.279 -128.086 171.298 71.9022 PRESSAVG: 3700000 -28.0343 9.87697 35.2854 9.87694 13.6674 -34.6061 35.2855 -34.6062 -18.3606 GPRESSAVG: 3700000 -28.2639 10.1282 37.0096 10.7483 13.8587 -35.148 35.7754 -33.8243 -18.2871 TIMING: 3700000 CPU: 11559, 0.00337237/step Wall: 11559, 0.00337238/step, 1.2178 hours remaining, 234.898438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3700000 3972.1740 20451.1503 14491.5979 247.0674 -203315.9957 2729.1936 0.0000 0.0000 51629.0433 -109795.7692 296.7128 -161424.8125 -109433.2193 298.1201 -56.8928 -30.4307 763123.4961 -10.9092 -10.8975 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3700000 PRESSURE: 3700200 -177.023 135.127 -40.3612 135.126 -25.1504 239.632 -40.3616 239.632 343.336 GPRESSURE: 3700200 -137.635 182.633 -120.614 104.476 11.555 143.501 -104.969 177.238 351.993 PRESSAVG: 3700200 24.4434 -21.8533 21.4273 -21.8532 9.12769 16.8025 21.4273 16.8025 -12.0309 GPRESSAVG: 3700200 25.173 -22.3482 22.2604 -22.848 8.07398 15.6728 22.2685 17.3617 -11.9404 TIMING: 3700200 CPU: 11559.6, 0.00321693/step Wall: 11559.6, 0.00321693/step, 1.16149 hours remaining, 234.898438 MB of memory in use. ENERGY: 3700200 3887.1438 20368.6907 14464.0167 242.5012 -203328.4566 2615.1226 0.0000 0.0000 51812.0714 -109938.9102 297.7647 -161750.9816 -109579.6749 297.5968 47.0542 75.3044 762572.6425 7.1801 7.1022 LDB: ============= START OF LOAD BALANCING ============== 11572.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11572.1 LDB: =============== DONE WITH MIGRATION ================ 11572.1 LDB: ============= START OF LOAD BALANCING ============== 11572.4 LDB: Largest compute 6998 load 0.028614 is 14.7% of average load 0.195276 LDB: Average compute 0.004352 is 2.2% of average load 0.195276 LDB: TIME 11572.4 LOAD: AVG 0.195276 MAX 0.215311 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.75 MB LDB: TIME 11572.4 LOAD: AVG 0.195276 MAX 0.215311 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.754 MB LDB: TIME 11572.4 LOAD: AVG 0.195276 MAX 0.215311 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.754 MB LDB: ============== END OF LOAD BALANCING =============== 11572.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11572.4 PRESSURE: 3700400 -125.992 85.5168 79.4815 85.5163 -82.4145 -167.284 79.4824 -167.284 2.52071 GPRESSURE: 3700400 -97.3857 44.014 18.3301 162.851 -26.2623 -116.709 150.625 -134.576 12.6211 PRESSAVG: 3700400 -37.499 68.3666 76.6422 68.3666 46.1546 27.9979 76.6421 27.9979 0.779668 GPRESSAVG: 3700400 -39.1301 68.1398 74.893 67.8053 47.7138 30.2003 75.98 24.9364 0.672832 TIMING: 3700400 CPU: 11560.3, 0.00322238/step Wall: 11560.3, 0.00322238/step, 1.16328 hours remaining, 234.261719 MB of memory in use. ENERGY: 3700400 3967.6736 20417.6118 14461.2677 252.5248 -203344.1897 2515.6814 0.0000 0.0000 51913.7418 -109815.6886 298.3490 -161729.4304 -109454.8819 297.7201 -68.6285 -37.0090 764015.3121 3.1451 3.0855 PRESSURE: 3700600 -48.4026 132.231 -110.301 132.23 136.013 -218.436 -110.302 -218.434 393.438 GPRESSURE: 3700600 -37.9727 62.7768 -12.6565 117.482 141.437 -325.322 -126.46 -91.1457 452.726 PRESSAVG: 3700600 -13.8915 4.82632 33.4632 4.82625 42.3242 -10.7327 33.4632 -10.7327 -14.0823 GPRESSAVG: 3700600 -13.3447 6.33423 34.843 5.33457 41.6173 -12.5537 32.925 -6.34605 -13.4342 TIMING: 3700600 CPU: 11560.9, 0.00316337/step Wall: 11560.9, 0.00316337/step, 1.1418 hours remaining, 234.460938 MB of memory in use. ENERGY: 3700600 3956.7830 20523.8261 14445.9402 254.1193 -203450.3951 2647.6143 0.0000 0.0000 51856.6402 -109765.4720 298.0208 -161622.1122 -109403.2642 298.2192 160.3495 185.3969 762813.2358 4.7835 4.9461 PRESSURE: 3700800 -10.9806 -68.4914 152.571 -68.4911 -80.2264 57.8024 152.572 57.8011 36.8374 GPRESSURE: 3700800 -67.1992 -61.789 66.5712 -12.9705 21.5942 26.905 93.9925 -2.42458 65.1484 PRESSAVG: 3700800 -42.5916 24.0798 -39.2378 24.0799 16.1731 12.2731 -39.2377 12.2731 -5.04177 GPRESSAVG: 3700800 -43.2802 23.6907 -37.4195 24.4176 16.707 13.5407 -38.4183 9.5734 -5.04691 TIMING: 3700800 CPU: 11561.5, 0.00313458/step Wall: 11561.5, 0.00313458/step, 1.13123 hours remaining, 234.460938 MB of memory in use. ENERGY: 3700800 3923.9287 20450.5634 14448.8451 235.8320 -203275.2586 2498.3843 0.0000 0.0000 51916.4606 -109801.2446 298.3646 -161717.7052 -109439.3059 298.6789 -18.1232 6.5145 761507.0535 -10.4868 -10.5400 PRESSURE: 3701000 -290.256 -141.359 -155.05 -141.36 -34.6671 40.4343 -155.05 40.4342 -397.802 GPRESSURE: 3701000 -257.273 -55.3525 -220.09 -214.249 -58.4555 126.439 -68.0027 -9.52953 -326.202 PRESSAVG: 3701000 -0.244209 35.5669 -16.1181 35.5669 -25.348 14.3723 -16.1182 14.3722 -16.1704 GPRESSAVG: 3701000 -0.742369 35.1787 -18.7343 35.1942 -26.6845 13.4842 -16.0306 14.3907 -15.2611 TIMING: 3701000 CPU: 11562.2, 0.00313726/step Wall: 11562.2, 0.00313725/step, 1.13203 hours remaining, 234.460938 MB of memory in use. ENERGY: 3701000 3968.5478 20553.1407 14412.7529 243.5134 -202955.9413 2344.8188 0.0000 0.0000 51888.5184 -109544.6493 298.2040 -161433.1677 -109180.1284 298.4684 -240.9083 -213.9768 762641.5498 -13.9209 -14.2293 PRESSURE: 3701200 -192.722 53.2151 82.953 53.2154 -156.344 42.7401 82.9522 42.7398 -65.4576 GPRESSURE: 3701200 -184.424 -47.1805 91.8188 28.1611 -133.746 90.6426 50.9246 46.7024 -6.8001 PRESSAVG: 3701200 -40.3452 14.8414 -17.99 14.8414 36.5737 46.5433 -17.99 46.5433 30.5064 GPRESSAVG: 3701200 -39.1499 16.0715 -17.4112 13.1947 36.6945 48.9053 -18.1771 46.702 29.7736 TIMING: 3701200 CPU: 11562.8, 0.00309933/step Wall: 11562.8, 0.00309934/step, 1.11817 hours remaining, 234.460938 MB of memory in use. ENERGY: 3701200 3925.7500 20491.8614 14437.4192 265.0183 -203191.7621 2609.2974 0.0000 0.0000 52020.7037 -109441.7122 298.9637 -161462.4159 -109076.2435 299.3464 -138.1744 -108.3233 762178.2747 8.9117 9.1060 PRESSURE: 3701400 -99.8669 -32.165 233.863 -32.1654 -162.83 -101.707 233.864 -101.707 -247.235 GPRESSURE: 3701400 -94.7349 -37.8524 143.292 55.979 -98.8376 -43.0508 240.835 -6.09253 -230.547 PRESSAVG: 3701400 -47.8608 40.5141 -28.9027 40.5142 -15.9677 79.0675 -28.9027 79.0674 -21.1056 GPRESSAVG: 3701400 -47.9987 37.606 -28.3572 42.4722 -15.2324 78.5488 -29.0907 78.9713 -21.7333 TIMING: 3701400 CPU: 11563.4, 0.0030975/step Wall: 11563.4, 0.0030975/step, 1.11734 hours remaining, 234.460938 MB of memory in use. ENERGY: 3701400 4002.5895 20495.7371 14373.3199 250.4662 -203016.7539 2378.2210 0.0000 0.0000 51993.7223 -109522.6978 298.8086 -161516.4201 -109159.4933 298.4682 -169.9773 -141.3732 762207.5819 -28.3114 -28.3215 PRESSURE: 3701600 -151.705 -44.5505 -7.6519 -44.5497 -93.2012 -134.139 -7.65124 -134.138 257.994 GPRESSURE: 3701600 -153.22 1.09464 -78.0409 -24.9745 -5.28351 -72.9566 -48.8833 -333.639 275.799 PRESSAVG: 3701600 -40.7546 -14.9424 -47.3987 -14.9423 21.2009 29.4244 -47.3987 29.4245 24.3288 GPRESSAVG: 3701600 -40.7062 -13.0272 -47.4771 -13.5323 21.3543 27.8572 -49.6103 30.1946 23.8928 TIMING: 3701600 CPU: 11564, 0.00311424/step Wall: 11564, 0.00311424/step, 1.1232 hours remaining, 234.460938 MB of memory in use. ENERGY: 3701600 4125.0968 20369.0561 14547.3001 244.0234 -203703.7818 2994.9102 0.0000 0.0000 52131.1801 -109292.2151 299.5986 -161423.3952 -108934.0786 299.0470 4.3627 39.0984 761790.2086 1.5917 1.5136 PRESSURE: 3701800 -225.876 222.69 -41.8761 222.691 -33.3548 132.508 -41.8755 132.508 -36.8647 GPRESSURE: 3701800 -146.674 116.736 -52.0365 144.69 -42.3089 147.837 26.3514 189.802 -20.5918 PRESSAVG: 3701800 -86.9857 19.9775 -4.25809 19.9774 28.0389 12.4051 -4.25811 12.4051 -6.43697 GPRESSAVG: 3701800 -88.0493 20.1014 -4.59849 19.1743 27.8937 12.834 -1.02701 12.4467 -5.24484 TIMING: 3701800 CPU: 11564.6, 0.0030989/step Wall: 11564.6, 0.0030989/step, 1.1175 hours remaining, 234.460938 MB of memory in use. ENERGY: 3701800 4021.9759 20646.7056 14482.6476 259.7155 -203148.3338 2379.8515 0.0000 0.0000 52073.3000 -109284.1376 299.2660 -161357.4376 -108937.3641 299.9187 -98.6986 -69.8581 761753.8859 -21.7946 -21.8001 PRESSURE: 3702000 -66.4718 57.4738 50.4588 57.4738 42.6352 -73.4557 50.458 -73.4551 -211.957 GPRESSURE: 3702000 74.3678 147.762 -5.49232 40.1185 -54.314 -30.3058 -11.7037 -65.3861 -169.565 PRESSAVG: 3702000 -51.9974 -15.383 20.1585 -15.383 59.7854 -9.50533 20.1585 -9.50523 24.3988 GPRESSAVG: 3702000 -51.0674 -17.0334 19.2085 -13.3975 59.526 -10.6789 17.5087 -8.54157 24.2442 TIMING: 3702000 CPU: 11565.3, 0.00310259/step Wall: 11565.3, 0.00310259/step, 1.11866 hours remaining, 234.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3702000 4033.2521 20678.5826 14446.5736 254.9494 -202997.8906 2568.0371 0.0000 0.0000 51648.0928 -109368.4030 296.8223 -161016.4958 -109019.5864 299.5779 -78.5980 -49.8372 762250.8727 10.7289 10.9009 PRESSURE: 3702200 -79.365 100.592 -91.873 100.592 76.6892 81.9623 -91.8719 81.9637 -109.489 GPRESSURE: 3702200 -139.296 29.2429 -28.3244 104.763 106.188 30.3156 -88.0909 57.873 -13.4461 PRESSAVG: 3702200 -2.05608 -7.31366 -23.7987 -7.31365 12.517 29.4259 -23.7988 29.426 -1.69946 GPRESSAVG: 3702200 -1.17334 -4.29537 -23.9454 -11.5073 11.8288 29.8271 -22.2984 27.2369 -1.97874 TIMING: 3702200 CPU: 11565.9, 0.00311183/step Wall: 11565.9, 0.00311183/step, 1.12182 hours remaining, 234.460938 MB of memory in use. ENERGY: 3702200 3950.0241 20513.5587 14424.7790 251.8798 -203355.1399 2652.6341 0.0000 0.0000 52283.0868 -109279.1774 300.4716 -161562.2642 -108904.1746 299.2667 -37.3882 -15.5180 761780.8044 2.9205 2.8922 PRESSURE: 3702400 -146.343 -30.4819 53.2197 -30.4823 76.6359 -114.562 53.2197 -114.563 -390.54 GPRESSURE: 3702400 -111.409 42.1319 102.954 120.909 84.6638 -173.435 -120.192 44.7275 -337.965 PRESSAVG: 3702400 -11.0908 -12.1278 9.99567 -12.1278 12.1782 16.4618 9.99565 16.4618 -15.7209 GPRESSAVG: 3702400 -11.1624 -13.1344 9.78049 -11.9326 13.1679 15.9762 10.0259 16.2524 -16.498 TIMING: 3702400 CPU: 11566.5, 0.00312205/step Wall: 11566.5, 0.00312204/step, 1.12532 hours remaining, 234.460938 MB of memory in use. ENERGY: 3702400 4044.8361 20397.8408 14427.2370 250.8030 -203173.8921 2570.0379 0.0000 0.0000 52073.0070 -109410.1302 299.2643 -161483.1372 -109052.8240 299.1662 -153.4156 -121.5700 762623.4992 -4.8778 -4.8308 PRESSURE: 3702600 167.618 -368.996 11.242 -368.996 -224.66 32.3822 11.2417 32.381 200.431 GPRESSURE: 3702600 166.873 -374.537 -50.4928 -240.902 -125.845 -83.2311 -4.35122 21.7528 169.772 PRESSAVG: 3702600 34.4685 -48.0061 5.18451 -48.0061 27.8268 89.4823 5.1846 89.4823 8.87631 GPRESSAVG: 3702600 32.7296 -48.036 5.07778 -46.5684 29.2154 90.3218 3.51392 91.7879 8.51571 TIMING: 3702600 CPU: 11567.1, 0.00308434/step Wall: 11567.1, 0.00308434/step, 1.11156 hours remaining, 234.460938 MB of memory in use. ENERGY: 3702600 4005.9642 20534.8591 14431.7788 224.1897 -202995.8748 2605.3323 0.0000 0.0000 51835.3218 -109358.4289 297.8983 -161193.7507 -108995.8037 299.0925 47.7964 70.2665 762575.3957 23.7239 23.4869 PRESSURE: 3702800 129.298 -295.157 118.837 -295.156 68.8862 -262.252 118.837 -262.252 -171.481 GPRESSURE: 3702800 135.425 -212.28 66.607 -241.478 56.4208 -168.996 116.042 -139.55 -82.5236 PRESSAVG: 3702800 -3.09115 -24.4857 -42.6676 -24.4858 22.2547 45.7716 -42.6676 45.7716 1.54912 GPRESSAVG: 3702800 -1.8997 -23.0063 -42.7655 -26.0538 19.9984 45.9323 -42.3882 45.3086 2.5989 TIMING: 3702800 CPU: 11567.7, 0.00307739/step Wall: 11567.7, 0.00307739/step, 1.10888 hours remaining, 234.460938 MB of memory in use. ENERGY: 3702800 3955.3795 20570.1577 14432.7294 252.9712 -203345.4366 2659.8041 0.0000 0.0000 52223.1099 -109251.2849 300.1269 -161474.3949 -108890.5815 299.5034 8.9010 36.4407 761306.7545 6.9042 6.8992 PRESSURE: 3703000 -342.742 -41.878 -139.353 -41.8775 21.6408 58.5222 -139.352 58.5244 -455.823 GPRESSURE: 3703000 -268.693 77.0071 -127.196 -17.9034 -54.2937 -22.205 -37.0978 22.5985 -366.209 PRESSAVG: 3703000 40.2297 42.6442 8.5462 42.6442 -6.11157 -2.45469 8.54621 -2.45467 -21.2609 GPRESSAVG: 3703000 40.5741 40.3665 9.23263 46.08 -5.70146 -3.05348 9.33527 -3.12095 -21.699 TIMING: 3703000 CPU: 11568.4, 0.00308264/step Wall: 11568.4, 0.00308264/step, 1.11061 hours remaining, 234.460938 MB of memory in use. ENERGY: 3703000 4065.1485 20659.9569 14449.3842 252.7783 -203488.0662 2657.5753 0.0000 0.0000 52152.4351 -109250.7880 299.7208 -161403.2231 -108895.6974 300.0415 -258.9748 -229.7320 761410.7303 4.2857 4.3912 PRESSURE: 3703200 -246.903 137.651 84.3503 137.651 -248.733 114.248 84.3495 114.248 -4.04009 GPRESSURE: 3703200 -139.979 102.691 86.2959 24.4034 -253.559 169.83 107.179 21.1419 -9.24153 PRESSAVG: 3703200 -21.5977 -14.8897 -32.8708 -14.8898 -21.5855 -6.82354 -32.8708 -6.82349 4.93169 GPRESSAVG: 3703200 -21.0333 -14.0315 -33.812 -17.0332 -21.5334 -4.18496 -32.6139 -8.31582 4.54745 TIMING: 3703200 CPU: 11569, 0.00311067/step Wall: 11569, 0.00311067/step, 1.12053 hours remaining, 234.460938 MB of memory in use. ENERGY: 3703200 4029.3605 20523.3199 14507.8181 261.1674 -202939.0179 2310.7782 0.0000 0.0000 52210.5876 -109095.9862 300.0550 -161306.5738 -108729.2906 300.2425 -166.5586 -134.2598 762095.3592 -12.7505 -12.6731 PRESSURE: 3703400 157.833 -6.99401 -171.997 -6.99477 -77.8584 120.38 -171.996 120.378 312.551 GPRESSURE: 3703400 99.8352 54.5924 -178.544 -42.285 2.50542 152.817 -64.6429 32.8141 366.442 PRESSAVG: 3703400 -45.5455 6.46226 -73.7784 6.46222 23.0022 7.23533 -73.7785 7.23524 -8.63135 GPRESSAVG: 3703400 -46.377 4.28342 -72.3538 7.47114 23.9699 6.46767 -72.0711 8.38613 -8.81015 TIMING: 3703400 CPU: 11569.6, 0.00310473/step Wall: 11569.6, 0.00310474/step, 1.11822 hours remaining, 234.460938 MB of memory in use. ENERGY: 3703400 4010.4343 20764.0226 14421.9941 224.9274 -203417.0541 2612.3981 0.0000 0.0000 52303.9234 -109079.3543 300.5914 -161383.2776 -108709.8169 300.0620 130.8416 156.2609 762114.3292 -10.3916 -10.4057 PRESSURE: 3703600 7.69084 -94.7583 -46.6166 -94.7594 50.8198 111.062 -46.6173 111.062 110.937 GPRESSURE: 3703600 124.437 -79.9249 1.7819 -88.6159 -44.8308 111.329 -73.8256 125.55 170.833 PRESSAVG: 3703600 30.485 -52.0093 -18.078 -52.0094 -10.2812 -63.551 -18.078 -63.5511 7.46318 GPRESSAVG: 3703600 29.6767 -51.9944 -18.7139 -51.932 -12.0013 -65.0627 -19.6029 -63.7069 9.51454 TIMING: 3703600 CPU: 11570.2, 0.00309592/step Wall: 11570.2, 0.00309592/step, 1.11488 hours remaining, 234.460938 MB of memory in use. ENERGY: 3703600 3982.7308 20815.4589 14519.6097 263.2932 -203568.5504 2788.1869 0.0000 0.0000 52205.4226 -108993.8483 300.0253 -161199.2709 -108630.5814 299.9389 56.4824 83.4799 762684.0948 9.2223 9.0633 PRESSURE: 3703800 209.592 82.1516 -116.741 82.1529 649.123 59.972 -116.741 59.9729 160.352 GPRESSURE: 3703800 296.042 79.7743 -62.5582 11.0239 631.927 59.1835 -127.47 98.4975 144.986 PRESSAVG: 3703800 37.3712 -37.2919 12.6979 -37.2919 -0.996244 -49.489 12.698 -49.489 1.15666 GPRESSAVG: 3703800 39.7005 -35.0211 12.5731 -38.49 -0.606266 -49.54 13.4591 -48.9579 -1.13116 TIMING: 3703800 CPU: 11570.8, 0.0030993/step Wall: 11570.8, 0.0030993/step, 1.11592 hours remaining, 234.460938 MB of memory in use. ENERGY: 3703800 4002.0672 20598.4247 14491.7333 265.6253 -203159.7687 2721.3022 0.0000 0.0000 52189.7374 -108890.8784 299.9351 -161080.6158 -108524.1141 300.1169 339.6891 357.6517 761654.4228 12.5105 12.6543 PRESSURE: 3704000 -107.461 -70.589 88.3026 -70.5887 293.916 -103.075 88.3027 -103.075 336.282 GPRESSURE: 3704000 -42.773 -15.6924 58.2324 -105.815 366.062 -180.286 -42.923 -69.9333 271.58 PRESSAVG: 3704000 -39.7151 -33.5199 5.98382 -33.52 23.9493 -26.1721 5.98382 -26.1721 -0.942196 GPRESSAVG: 3704000 -40.2804 -35.1765 4.96367 -33.9163 24.3403 -25.0408 3.86824 -25.0942 -0.753456 TIMING: 3704000 CPU: 11571.5, 0.00309944/step Wall: 11571.5, 0.00309944/step, 1.1158 hours remaining, 234.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3704000 4017.1233 20630.0743 14459.9411 230.2361 -203543.4335 2744.5028 0.0000 0.0000 52477.0432 -108984.5126 301.5863 -161461.5559 -108624.8243 300.1069 174.2456 198.2899 761960.2238 -5.5693 -5.5645 PRESSURE: 3704200 -327.978 35.8411 99.9914 35.8416 -151.677 -81.3051 99.9917 -81.3042 228.41 GPRESSURE: 3704200 -285.063 3.37181 138.389 -5.91524 -121.317 -3.79512 -62.4015 -112.138 269.737 PRESSAVG: 3704200 -28.785 -32.9009 -21.4963 -32.9009 -5.01803 7.3006 -21.4963 7.30052 -0.437601 GPRESSAVG: 3704200 -28.9104 -33.6544 -19.0373 -28.9622 -5.1848 7.67919 -21.9998 5.61158 0.236761 TIMING: 3704200 CPU: 11572.1, 0.00310337/step Wall: 11572.1, 0.00310337/step, 1.11704 hours remaining, 234.460938 MB of memory in use. ENERGY: 3704200 4009.9816 20639.7007 14445.2753 241.3623 -203237.8816 2505.7663 0.0000 0.0000 52279.2513 -109116.5441 300.4496 -161395.7954 -108756.8719 299.9284 -83.7484 -45.5478 763700.5510 -11.4135 -11.2862 LDB: ============= START OF LOAD BALANCING ============== 11584.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11584.6 LDB: =============== DONE WITH MIGRATION ================ 11584.6 LDB: ============= START OF LOAD BALANCING ============== 11584.9 LDB: Largest compute 6998 load 0.027753 is 14.2% of average load 0.195243 LDB: Average compute 0.004377 is 2.2% of average load 0.195243 LDB: TIME 11584.9 LOAD: AVG 0.195243 MAX 0.215125 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.52 MB LDB: TIME 11584.9 LOAD: AVG 0.195243 MAX 0.215125 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.52 MB LDB: TIME 11584.9 LOAD: AVG 0.195243 MAX 0.215125 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.52 MB LDB: ============== END OF LOAD BALANCING =============== 11584.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11584.9 PRESSURE: 3704400 11.4958 -3.34966 13.9214 -3.34887 399.878 -185.231 13.9221 -185.231 164.369 GPRESSURE: 3704400 -4.89923 23.7795 -43.895 6.64486 469.494 -168.116 93.2056 -203.055 193.965 PRESSAVG: 3704400 -54.9028 -10.9675 25.7481 -10.9675 20.8814 -20.9904 25.748 -20.9903 -6.37023 GPRESSAVG: 3704400 -55.178 -7.64671 22.9315 -14.1868 20.5661 -22.0279 28.3915 -20.5462 -5.69657 TIMING: 3704400 CPU: 11572.7, 0.00318067/step Wall: 11572.7, 0.00318067/step, 1.14469 hours remaining, 234.519531 MB of memory in use. ENERGY: 3704400 3966.7752 20648.2629 14423.1853 214.7002 -202686.0447 2536.8904 0.0000 0.0000 52002.9951 -108893.2355 298.8619 -160896.2307 -108540.9717 299.2809 191.9142 219.5201 763617.7250 -13.4639 -13.4362 PRESSURE: 3704600 -80.3029 -10.5737 -236.119 -10.5731 374.116 307.715 -236.119 307.715 31.3692 GPRESSURE: 3704600 29.0573 77.9713 -285.315 98.2222 346.755 282.733 -100.011 304.09 38.6333 PRESSAVG: 3704600 -4.90226 44.6524 19.8477 44.6524 51.3841 18.6353 19.8478 18.6354 15.3666 GPRESSAVG: 3704600 -3.76589 41.8148 21.379 46.7776 51.6654 19.4467 19.0668 19.677 14.5799 TIMING: 3704600 CPU: 11573.3, 0.00310417/step Wall: 11573.3, 0.00310417/step, 1.11698 hours remaining, 234.722656 MB of memory in use. ENERGY: 3704600 4000.9108 20496.7535 14477.8554 232.0192 -203296.5478 2968.8366 0.0000 0.0000 52151.7912 -108968.3811 299.7171 -161120.1723 -108605.2267 299.9604 108.3942 138.1487 763657.9075 20.6161 20.8265 PRESSURE: 3704800 -292.116 -206.214 113.859 -206.214 58.2121 -32.6465 113.86 -32.6468 166.442 GPRESSURE: 3704800 -222.359 -144.747 258.394 -178.496 42.4903 43.868 91.7178 -5.95896 190.771 PRESSAVG: 3704800 -16.1497 7.94048 -14.1295 7.94046 10.9983 -48.589 -14.1295 -48.5889 -13.0022 GPRESSAVG: 3704800 -16.5701 8.95076 -13.8786 6.22705 11.7039 -46.2093 -13.8393 -49.9053 -13.6172 TIMING: 3704800 CPU: 11574, 0.00310331/step Wall: 11574, 0.00310331/step, 1.1165 hours remaining, 234.722656 MB of memory in use. ENERGY: 3704800 4055.3417 20666.8045 14495.5636 253.0850 -203498.3983 2834.8240 0.0000 0.0000 52130.7346 -109062.0449 299.5960 -161192.7796 -108695.7017 299.7042 -22.4873 3.6340 761925.7406 -6.0512 -6.1611 PRESSURE: 3705000 205.37 261.125 -28.9496 261.124 99.5589 -163.395 -28.9488 -163.395 -55.5394 GPRESSURE: 3705000 212.053 208.887 -41.1648 155.602 157.014 -176.554 20.5905 -35.9904 -37.837 PRESSAVG: 3705000 -13.8718 40.4161 15.8999 40.4161 53.6395 -28.2624 15.8999 -28.2624 -2.86705 GPRESSAVG: 3705000 -14.2692 40.2547 13.9377 39.1361 52.7618 -29.2587 14.701 -28.2193 -1.44427 TIMING: 3705000 CPU: 11574.6, 0.0031096/step Wall: 11574.6, 0.0031096/step, 1.11859 hours remaining, 234.722656 MB of memory in use. ENERGY: 3705000 3970.9197 20558.6537 14488.7847 238.6267 -203577.3502 2955.8004 0.0000 0.0000 52264.5671 -109099.9979 300.3652 -161364.5650 -108736.1441 299.8579 83.1298 110.4101 763172.1638 12.3002 12.3494 PRESSURE: 3705200 -406.852 -26.107 -7.13378 -26.1075 -21.7102 -62.9804 -7.13354 -62.9809 231.467 GPRESSURE: 3705200 -391.623 23.1615 -30.6753 56.5368 95.6556 -137.47 -47.2521 36.2327 177.885 PRESSAVG: 3705200 23.9177 0.654542 20.6291 0.654476 13.2633 0.0176223 20.629 0.0176195 9.97576 GPRESSAVG: 3705200 23.5499 0.233788 21.5472 3.85833 13.5011 -2.00589 19.9803 0.342367 9.72521 TIMING: 3705200 CPU: 11575.2, 0.00309199/step Wall: 11575.2, 0.00309199/step, 1.11209 hours remaining, 234.722656 MB of memory in use. ENERGY: 3705200 3985.7408 20500.7763 14491.0819 246.7922 -203121.3719 2485.0371 0.0000 0.0000 52085.7253 -109326.2182 299.3374 -161411.9435 -108956.6445 299.4602 -65.6984 -39.3608 761423.6883 15.7189 15.5921 PRESSURE: 3705400 -268.564 -104.506 223.918 -104.506 27.5185 228.994 223.918 228.994 38.0213 GPRESSURE: 3705400 -135.442 -68.8171 250.554 -56.4643 -7.04441 134.436 253.027 212.701 20.7143 PRESSAVG: 3705400 -29.9057 19.353 1.58486 19.3531 53.1714 18.5339 1.58492 18.534 -0.393965 GPRESSAVG: 3705400 -29.6415 20.4319 2.82906 17.5308 52.6591 19.0686 2.75962 18.539 -0.854082 TIMING: 3705400 CPU: 11575.8, 0.00309255/step Wall: 11575.8, 0.00309255/step, 1.11211 hours remaining, 234.722656 MB of memory in use. ENERGY: 3705400 4000.2981 20451.0216 14479.8562 252.9133 -202810.0824 2295.3362 0.0000 0.0000 51907.4481 -109423.2089 298.3128 -161330.6570 -109062.7387 298.9858 -67.6747 -40.5908 761879.1336 7.6239 7.3879 PRESSURE: 3705600 -365.388 -100.769 -13.0096 -100.769 -391.599 -114.663 -13.0086 -114.664 -15.484 GPRESSURE: 3705600 -398.187 -107.25 -1.81149 -106.16 -350.863 -80.123 -79.3006 -192.856 72.5417 PRESSAVG: 3705600 -98.1395 8.90046 70.5132 8.90046 54.7012 15.2526 70.5132 15.2526 -12.4963 GPRESSAVG: 3705600 -98.1571 6.33516 71.3601 8.6952 55.083 14.5378 70.8175 13.5457 -12.5072 TIMING: 3705600 CPU: 11576.4, 0.00309323/step Wall: 11576.4, 0.00309323/step, 1.11219 hours remaining, 234.722656 MB of memory in use. ENERGY: 3705600 3951.5376 20539.9990 14438.7029 258.2440 -202901.3065 2272.7148 0.0000 0.0000 51985.4236 -109454.6845 298.7609 -161440.1080 -109092.8411 299.3530 -257.4902 -225.5029 762548.8416 -18.6449 -18.5271 PRESSURE: 3705800 -174.89 -38.2643 93.7707 -38.265 166.504 122.857 93.7704 122.857 -82.5263 GPRESSURE: 3705800 -139.962 81.8054 24.3266 56.872 206.728 177.864 -0.192322 24.4206 -71.2763 PRESSAVG: 3705800 -45.7242 30.6477 20.0479 30.6477 9.88274 47.3237 20.0479 47.3237 1.31921 GPRESSAVG: 3705800 -45.0016 32.7063 18.4915 30.0623 10.4471 48.4991 19.2581 46.8881 0.253277 TIMING: 3705800 CPU: 11577.1, 0.00309503/step Wall: 11577.1, 0.00309503/step, 1.11266 hours remaining, 234.722656 MB of memory in use. ENERGY: 3705800 3972.9915 20623.2564 14377.1382 244.9600 -203251.3995 2530.9021 0.0000 0.0000 51965.0739 -109537.0773 298.6440 -161502.1512 -109173.8906 299.1151 -30.3040 -1.5036 762375.0182 -11.5074 -11.4337 PRESSURE: 3706000 -352.474 -152.816 165.336 -152.816 181.924 79.9844 165.336 79.9844 -21.6333 GPRESSURE: 3706000 -226.761 -170.441 144.223 -100.091 149.14 23.4621 110.747 134.352 -43.1384 PRESSAVG: 3706000 21.1105 -32.6615 11.4406 -32.6614 -9.74551 35.0901 11.4406 35.09 14.7431 GPRESSAVG: 3706000 20.24 -31.4912 11.6188 -32.8278 -10.237 35.3383 11.5129 35.9205 16.5158 TIMING: 3706000 CPU: 11577.7, 0.00309665/step Wall: 11577.7, 0.00309665/step, 1.11307 hours remaining, 234.722656 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: 3706000 3990.8675 20474.9785 14499.9978 244.7219 -203140.6749 2462.7758 0.0000 0.0000 52088.8344 -109378.4991 299.3552 -161467.3334 -109035.0888 299.0326 -64.0609 -40.2531 763377.9895 8.7027 8.8396 PRESSURE: 3706200 -210.397 106.679 -85.8067 106.679 -134.403 190.365 -85.8071 190.365 -55.0278 GPRESSURE: 3706200 -188.472 101.261 -46.773 54.0414 -98.3382 204.062 -27.4925 238.7 -16.6251 PRESSAVG: 3706200 -111.036 32.9496 24.8556 32.9496 99.0969 29.0039 24.8556 29.004 1.72583 GPRESSAVG: 3706200 -109.896 31.7351 24.6596 33.2433 99.7605 28.4413 24.8199 32.0104 -0.326305 TIMING: 3706200 CPU: 11578.3, 0.00309418/step Wall: 11578.3, 0.00309418/step, 1.11201 hours remaining, 234.722656 MB of memory in use. ENERGY: 3706200 4033.3894 20490.3971 14502.8762 228.0544 -203181.7400 2463.4554 0.0000 0.0000 52144.7782 -109318.7894 299.6768 -161463.5675 -108960.9301 299.1878 -133.2760 -101.1451 763322.9767 -3.4044 -3.4871 PRESSURE: 3706400 73.1883 -70.6363 64.7037 -70.6359 180.266 205.636 64.7026 205.636 -4.20875 GPRESSURE: 3706400 192.226 -132.136 70.4315 1.61455 72.9297 178.394 5.86615 81.1324 47.8074 PRESSAVG: 3706400 -13.3885 21.3543 34.2437 21.3543 50.332 82.8958 34.2437 82.8959 -20.8198 GPRESSAVG: 3706400 -14.6156 21.0469 35.7975 20.3149 50.1211 83.2126 33.5288 80.5096 -19.8361 TIMING: 3706400 CPU: 11578.9, 0.00310805/step Wall: 11578.9, 0.00310805/step, 1.11683 hours remaining, 234.722656 MB of memory in use. ENERGY: 3706400 4019.6439 20601.9840 14536.0766 234.3193 -203739.8695 2867.0294 0.0000 0.0000 52265.5308 -109215.2855 300.3707 -161480.8163 -108849.5276 299.1934 83.0818 104.3209 763084.1253 5.3746 5.2231 PRESSURE: 3706600 375.157 65.1207 -58.7187 65.1215 -11.6109 -87.5657 -58.7187 -87.5659 -93.9755 GPRESSURE: 3706600 372.175 38.2425 -56.9765 56.0229 19.5904 -32.0475 -18.5125 -66.774 -46.0129 PRESSAVG: 3706600 23.6051 -10.0436 6.75582 -10.0436 11.0117 13.8387 6.75586 13.8387 19.5144 GPRESSAVG: 3706600 23.3857 -9.49073 5.28551 -8.28158 10.3294 14.6702 7.1657 15.1342 20.0202 TIMING: 3706600 CPU: 11579.5, 0.00311306/step Wall: 11579.5, 0.00311306/step, 1.11845 hours remaining, 234.722656 MB of memory in use. ENERGY: 3706600 3970.6752 20495.2140 14489.3631 266.9542 -203334.2848 2824.8146 0.0000 0.0000 52202.3896 -109084.8742 300.0079 -161287.2638 -108726.0809 299.7197 89.8568 115.2509 763359.1256 18.0437 17.9118 PRESSURE: 3706800 -203.779 -48.8346 -133.753 -48.8354 -194.122 73.3713 -133.754 73.3713 -104.777 GPRESSURE: 3706800 -175.08 -150.503 -115.778 -55.0767 -154.676 -16.2038 -95.8439 88.7992 -80.3241 PRESSAVG: 3706800 -10.4575 -67.1525 -30.472 -67.1525 48.7 -11.9714 -30.4719 -11.9714 16.8935 GPRESSAVG: 3706800 -10.5734 -65.4569 -30.0669 -67.3685 49.3148 -12.7944 -31.2975 -10.5357 16.3495 TIMING: 3706800 CPU: 11580.2, 0.00312651/step Wall: 11580.2, 0.00312651/step, 1.12311 hours remaining, 234.722656 MB of memory in use. ENERGY: 3706800 4015.0737 20447.6618 14495.3587 259.2197 -202937.1670 2526.2397 0.0000 0.0000 52129.4062 -109064.2072 299.5884 -161193.6134 -108696.9805 299.5761 -167.5592 -136.6936 764016.7458 18.3787 18.3636 PRESSURE: 3707000 -459.57 -9.94694 -24.4624 -9.947 -90.3032 -72.7207 -24.463 -72.7212 -321.172 GPRESSURE: 3707000 -471.488 64.1646 -34.1897 -123.592 -1.84333 -150.253 24.4945 -27.7912 -311.942 PRESSAVG: 3707000 -30.2591 18.8424 -6.68882 18.8425 55.8636 -13.5443 -6.68884 -13.5444 -5.49189 GPRESSAVG: 3707000 -30.8542 15.3345 -7.71615 20.8918 55.9654 -13.9912 -5.03489 -15.7537 -5.03297 TIMING: 3707000 CPU: 11580.8, 0.00313223/step Wall: 11580.8, 0.00313223/step, 1.12499 hours remaining, 234.722656 MB of memory in use. ENERGY: 3707000 3961.5599 20558.2725 14417.1256 266.0796 -202806.7656 2340.6014 0.0000 0.0000 52274.2800 -108988.8466 300.4210 -161263.1266 -108618.1460 299.8125 -290.3487 -261.7577 763425.7483 6.7042 6.6927 PRESSURE: 3707200 -22.2288 56.4926 187.832 56.4924 -232.964 -15.2379 187.832 -15.2381 -27.1649 GPRESSURE: 3707200 -9.40959 35.326 118.718 97.1975 -121.31 117.906 198.329 -6.91836 -66.5342 PRESSAVG: 3707200 -0.652219 -23.9466 11.7841 -23.9466 16.5446 13.4871 11.7841 13.4871 -5.81827 GPRESSAVG: 3707200 0.224249 -21.9338 14.2095 -27.6 16.4071 14.0229 11.0719 12.5358 -6.61791 TIMING: 3707200 CPU: 11581.4, 0.0031162/step Wall: 11581.4, 0.0031162/step, 1.11906 hours remaining, 234.722656 MB of memory in use. ENERGY: 3707200 4006.9075 20510.4592 14436.8889 234.4625 -202791.2425 2427.5366 0.0000 0.0000 52037.7497 -109137.2380 299.0617 -161174.9878 -108779.3907 299.7177 -94.1191 -65.7512 762449.2068 3.3580 3.3378 PRESSURE: 3707400 -140.189 51.7865 -21.6316 51.7858 -166.371 -5.41032 -21.632 -5.41005 -423.525 GPRESSURE: 3707400 -169.667 80.4311 -31.2436 11.3721 -94.1154 58.2895 -53.908 130.246 -393.29 PRESSAVG: 3707400 -26.5952 1.43074 0.4879 1.43071 -5.39965 -17.1709 0.487877 -17.1708 17.0419 GPRESSAVG: 3707400 -25.9567 0.955594 -0.611615 2.26506 -6.22103 -17.1366 -0.578088 -16.0444 17.2071 TIMING: 3707400 CPU: 11582, 0.00311069/step Wall: 11582, 0.00311069/step, 1.11691 hours remaining, 234.722656 MB of memory in use. ENERGY: 3707400 4018.8705 20616.6646 14427.3316 237.3520 -202749.9208 2339.3168 0.0000 0.0000 52020.1187 -109090.2667 298.9603 -161110.3854 -108727.3080 299.4167 -243.3619 -219.0241 762449.0340 -4.9843 -4.9902 PRESSURE: 3707600 184.814 102.647 -151.514 102.648 148.561 -186.823 -151.514 -186.823 -317.916 GPRESSURE: 3707600 266.681 49.0489 -264.963 54.6751 133.722 -203.505 -33.2179 -301.132 -300.132 PRESSAVG: 3707600 -20.6613 -61.504 -37.4159 -61.504 15.9601 -66.4415 -37.4159 -66.4415 -0.43336 GPRESSAVG: 3707600 -22.1968 -61.0415 -39.1479 -59.3867 17.5526 -67.827 -36.7582 -66.9104 -0.260734 TIMING: 3707600 CPU: 11582.7, 0.00311818/step Wall: 11582.7, 0.00311818/step, 1.11943 hours remaining, 234.722656 MB of memory in use. ENERGY: 3707600 4047.6920 20389.6374 14416.5037 236.0173 -202901.0834 2755.7494 0.0000 0.0000 51936.8967 -109118.5870 298.4821 -161055.4837 -108759.5321 299.2325 5.1531 33.4236 761469.5384 -1.7115 -1.6350 PRESSURE: 3707800 180.543 -130.644 -300.35 -130.645 57.3453 181.821 -300.349 181.822 -101.606 GPRESSURE: 3707800 142.507 -120.366 -145.28 -190.642 208.435 155.062 -421.966 225.193 -117.797 PRESSAVG: 3707800 11.245 -39.4318 -48.1171 -39.4317 -30.9254 21.3521 -48.1171 21.3521 -9.28896 GPRESSAVG: 3707800 12.5077 -40.196 -46.3622 -39.2513 -30.8101 22.6174 -49.1452 21.3179 -10.4422 TIMING: 3707800 CPU: 11583.3, 0.00313487/step Wall: 11583.3, 0.00313487/step, 1.12524 hours remaining, 234.722656 MB of memory in use. ENERGY: 3707800 3939.6215 20459.3049 14489.3686 245.1461 -203267.2643 2770.9778 0.0000 0.0000 52084.5346 -109278.3106 299.3305 -161362.8452 -108918.6832 298.7719 45.4276 77.7148 762221.1865 -9.6565 -9.5815 PRESSURE: 3708000 -216.001 2.76492 -2.92757 2.76473 -215.118 9.81209 -2.92766 9.81076 -382.592 GPRESSURE: 3708000 -249.434 19.8495 -15.5318 20.2154 -126.744 -10.1446 -56.8668 24.8525 -344.483 PRESSAVG: 3708000 39.8124 -6.83877 -12.5527 -6.83876 -1.05008 36.9301 -12.5527 36.9301 12.9715 GPRESSAVG: 3708000 38.3216 -6.17233 -15.1425 -9.34154 -2.47814 39.2314 -10.1637 36.4432 15.6379 TIMING: 3708000 CPU: 11583.9, 0.00312749/step Wall: 11583.9, 0.00312749/step, 1.12242 hours remaining, 234.722656 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: 3708000 3962.9927 20423.5047 14443.9775 247.2996 -203013.5801 2399.9031 0.0000 0.0000 52319.6840 -109216.2184 300.6819 -161535.9025 -108852.6883 299.3795 -271.2368 -240.2202 762840.4295 17.2446 17.1605 PRESSURE: 3708200 150.589 -7.61533 -202.148 -7.6161 -284.003 -162.618 -202.148 -162.619 -197.501 GPRESSURE: 3708200 127.649 -29.9001 -128.217 -39.0547 -195.605 -168.969 -249.186 -75.5791 -180.136 PRESSAVG: 3708200 25.5008 -1.27428 -23.7756 -1.2743 -6.91334 22.1087 -23.7756 22.1088 -5.15782 GPRESSAVG: 3708200 26.9251 0.773268 -20.927 -1.02761 -6.34376 20.3383 -25.1735 22.7162 -7.5431 TIMING: 3708200 CPU: 11584.5, 0.00310726/step Wall: 11584.5, 0.00310726/step, 1.11499 hours remaining, 234.722656 MB of memory in use. ENERGY: 3708200 3907.1820 20736.1603 14580.4878 244.4952 -202780.4115 2354.8406 0.0000 0.0000 51928.3835 -109028.8623 298.4331 -160957.2457 -108672.7932 299.6743 -110.3053 -82.6974 762312.6618 4.4766 4.3461 LDB: ============= START OF LOAD BALANCING ============== 11597 LDB: ============== END OF LOAD BALANCING =============== 11597 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11597 LDB: ============= START OF LOAD BALANCING ============== 11597.3 LDB: Largest compute 7063 load 0.029350 is 15.0% of average load 0.195301 LDB: Average compute 0.004359 is 2.2% of average load 0.195301 LDB: TIME 11597.3 LOAD: AVG 0.195301 MAX 0.214744 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.773 MB LDB: TIME 11597.3 LOAD: AVG 0.195301 MAX 0.214744 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.941 MB LDB: TIME 11597.3 LOAD: AVG 0.195301 MAX 0.214744 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.941 MB LDB: ============== END OF LOAD BALANCING =============== 11597.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11597.3 PRESSURE: 3708400 133.125 140.179 45.718 140.179 -208.051 154.537 45.719 154.536 -267.308 GPRESSURE: 3708400 185.42 147.777 19.8359 216.073 -223.962 149.998 176.17 130.279 -229.776 PRESSAVG: 3708400 17.2428 13.9156 -14.0935 13.9156 -30.1519 11.5563 -14.0935 11.5563 -16.5643 GPRESSAVG: 3708400 17.1117 11.9927 -12.858 14.4542 -30.0555 11.333 -14.297 12.033 -16.4659 TIMING: 3708400 CPU: 11585.2, 0.0031715/step Wall: 11585.2, 0.00317149/step, 1.13786 hours remaining, 234.773438 MB of memory in use. ENERGY: 3708400 4015.8647 20505.3601 14475.7955 262.6927 -203368.8430 2786.5703 0.0000 0.0000 52419.4763 -108903.0834 301.2555 -161322.5597 -108537.8978 299.8939 -114.0781 -89.4394 762618.9726 -9.8245 -9.8032 PRESSURE: 3708600 -394.908 37.2101 2.25209 37.21 -18.5405 127.471 2.25158 127.471 64.104 GPRESSURE: 3708600 -252.734 113.354 59.8023 73.978 -49.2993 68.3429 -41.6697 287.409 18.9637 PRESSAVG: 3708600 -0.284947 42.4628 11.2792 42.4628 7.73074 -21.1288 11.2792 -21.1289 0.0923339 GPRESSAVG: 3708600 -0.87027 44.8148 10.3061 41.1968 7.37164 -20.5971 11.4282 -21.1375 0.964132 TIMING: 3708600 CPU: 11585.8, 0.00311806/step Wall: 11585.8, 0.00311806/step, 1.11852 hours remaining, 234.773438 MB of memory in use. ENERGY: 3708600 4020.2955 20566.2715 14494.2839 252.1084 -203080.1952 2710.6005 0.0000 0.0000 52065.5101 -108971.1253 299.2212 -161036.6354 -108599.6137 300.0158 -116.4483 -94.3566 763379.3578 2.5127 2.4885 PRESSURE: 3708800 -51.0509 5.82307 167.66 5.82299 -308.156 119.384 167.66 119.383 -37.0374 GPRESSURE: 3708800 -95.5753 23.9629 123.094 20.1056 -167.815 161.334 162.557 86.9596 -50.3168 PRESSAVG: 3708800 29.5482 66.6355 -23.4871 66.6355 -72.2135 -16.3066 -23.487 -16.3067 33.273 GPRESSAVG: 3708800 30.4052 65.4466 -24.1963 67.281 -72.1219 -16.1421 -24.0685 -16.5204 32.5913 TIMING: 3708800 CPU: 11586.4, 0.00309866/step Wall: 11586.4, 0.00309866/step, 1.11138 hours remaining, 234.773438 MB of memory in use. ENERGY: 3708800 3994.2020 20466.7958 14488.4196 254.7863 -202866.1996 2530.2356 0.0000 0.0000 52206.8395 -108924.9209 300.0334 -161131.7603 -108570.8712 299.4705 -132.0813 -104.5690 763151.6421 -3.1307 -3.0418 PRESSURE: 3709000 -284.058 199.817 94.2457 199.817 -326.336 -21.6165 94.2457 -21.6161 -276.22 GPRESSURE: 3709000 -318.872 134.944 10.57 134.877 -278.248 30.2057 105.734 -44.5249 -200.074 PRESSAVG: 3709000 26.7913 11.9689 18.4475 11.969 2.31631 17.4935 18.4475 17.4936 3.57395 GPRESSAVG: 3709000 25.7586 10.6194 18.6634 11.978 2.99578 17.3231 19.2115 17.6857 3.46134 TIMING: 3709000 CPU: 11587, 0.00309438/step Wall: 11587, 0.00309437/step, 1.10968 hours remaining, 234.773438 MB of memory in use. ENERGY: 3709000 4018.2798 20575.3992 14408.5118 273.0032 -202263.0737 2214.0276 0.0000 0.0000 51927.6390 -108846.2132 298.4289 -160773.8522 -108487.4123 299.5361 -295.5380 -265.7315 766019.0550 10.8938 10.7386 PRESSURE: 3709200 8.23853 -228.442 156.541 -228.442 -235.739 -94.3972 156.541 -94.3975 -255.169 GPRESSURE: 3709200 -15.4111 -230.597 159.828 -218.035 -125.771 -70.2558 128.813 -121.694 -263.058 PRESSAVG: 3709200 2.31793 -6.05106 -19.6079 -6.05101 -8.44096 -6.66685 -19.6078 -6.66681 -23.2071 GPRESSAVG: 3709200 3.49217 -3.36903 -21.5642 -8.18425 -10.8069 -5.77479 -19.7295 -7.08047 -22.2112 TIMING: 3709200 CPU: 11587.6, 0.00309611/step Wall: 11587.6, 0.00309611/step, 1.11013 hours remaining, 234.773438 MB of memory in use. ENERGY: 3709200 3989.5541 20412.0592 14455.4384 242.9463 -202933.8565 2682.5086 0.0000 0.0000 52151.7253 -108999.6246 299.7167 -161151.3499 -108630.3964 299.3523 -160.8897 -134.7466 763527.5974 -9.7767 -9.8420 PRESSURE: 3709400 419.205 273.806 -171.739 273.806 20.4773 -64.7108 -171.74 -64.7104 511.093 GPRESSURE: 3709400 408.108 364.486 -84.9482 207.218 106.492 38.4273 -228.028 -173.794 520.771 PRESSAVG: 3709400 70.5411 26.7731 -14.2019 26.7732 -44.9976 1.42029 -14.2019 1.42029 -12.204 GPRESSAVG: 3709400 69.1338 24.1256 -12.2854 28.3755 -42.5708 0.800951 -13.9389 1.22146 -13.0093 TIMING: 3709400 CPU: 11588.3, 0.00310783/step Wall: 11588.3, 0.00310783/step, 1.11416 hours remaining, 234.773438 MB of memory in use. ENERGY: 3709400 3969.4330 20662.6527 14512.3859 240.7804 -203224.6303 2892.3630 0.0000 0.0000 52078.7327 -108868.2826 299.2972 -160947.0153 -108508.3804 299.3124 316.9250 345.1237 761639.8575 4.4465 4.5179 PRESSURE: 3709600 -201.288 -118.961 3.6766 -118.962 51.1824 61.4009 3.67642 61.4002 -90.3764 GPRESSURE: 3709600 -68.3132 -42.9452 -30.8814 -66.6999 29.3028 138.098 -104.186 0.0971652 -131.092 PRESSAVG: 3709600 -40.4804 -3.76554 -30.9566 -3.76559 36.2081 -1.43179 -30.9566 -1.43178 -7.67589 GPRESSAVG: 3709600 -39.1277 -2.78401 -32.7336 -1.5551 34.691 -1.02507 -33.532 -1.1423 -7.4009 TIMING: 3709600 CPU: 11588.9, 0.00309206/step Wall: 11588.9, 0.00309206/step, 1.10833 hours remaining, 234.773438 MB of memory in use. ENERGY: 3709600 3990.2219 20633.8796 14493.9905 251.1085 -202988.4988 2683.4501 0.0000 0.0000 51979.1987 -108956.6496 298.7252 -160935.8483 -108581.8733 299.5508 -80.1605 -56.7008 763476.8722 -3.9828 -3.9459 PRESSURE: 3709800 -275.07 -23.3571 -72.7597 -23.3569 -158.774 -45.3696 -72.7603 -45.371 289.162 GPRESSURE: 3709800 -239.16 -28.5597 -7.43792 -52.2657 -183.721 -15.6187 14.9359 2.44744 343.4 PRESSAVG: 3709800 47.9025 -45.2733 7.90764 -45.2733 0.203326 -39.9016 7.90758 -39.9016 2.57432 GPRESSAVG: 3709800 47.216 -46.0041 9.89834 -45.8697 1.54331 -40.3269 9.64983 -38.2662 1.82645 TIMING: 3709800 CPU: 11589.5, 0.00309896/step Wall: 11589.5, 0.00309896/step, 1.11063 hours remaining, 234.773438 MB of memory in use. ENERGY: 3709800 4030.8523 20786.6254 14500.7606 244.3018 -203943.2650 3160.5785 0.0000 0.0000 52046.7450 -109173.4014 299.1134 -161220.1464 -108816.5937 299.5598 -48.2270 -26.4939 763086.5593 16.8934 16.8619 PRESSURE: 3710000 -277.948 74.6122 -23.5987 74.6128 5.95663 -136.273 -23.5991 -136.273 -268.102 GPRESSURE: 3710000 -271.152 15.7062 40.5322 192.702 45.3006 -103.407 -128.472 -252.537 -208.502 PRESSAVG: 3710000 32.3051 14.6562 24.9745 14.6563 -48.2311 27.8637 24.9746 27.8636 -4.56049 GPRESSAVG: 3710000 31.2797 14.3369 22.758 15.2868 -48.4307 28.6062 25.4887 25.562 -3.98351 TIMING: 3710000 CPU: 11590.1, 0.00310288/step Wall: 11590.1, 0.00310288/step, 1.11187 hours remaining, 234.773438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3710000 4017.7205 20499.3916 14478.3788 238.3187 -203241.4929 2728.3664 0.0000 0.0000 52034.8152 -109244.5016 299.0448 -161279.3168 -108877.5687 299.5662 -180.0310 -144.7846 764562.9732 -6.8288 -7.0449 PRESSURE: 3710200 -169.245 40.8368 -150.39 40.8363 167.049 24.3319 -150.39 24.3311 -345.868 GPRESSURE: 3710200 -40.4726 86.9567 -98.3232 86.7481 20.5366 64.3487 -160.093 102.021 -243.493 PRESSAVG: 3710200 16.7426 9.07953 22.6834 9.0795 -34.3746 31.7227 22.6833 31.7228 -5.45804 GPRESSAVG: 3710200 18.7306 7.92269 25.0636 7.20423 -35.9425 31.6865 22.593 32.0184 -6.19664 TIMING: 3710200 CPU: 11590.7, 0.00309844/step Wall: 11590.7, 0.00309844/step, 1.1101 hours remaining, 234.773438 MB of memory in use. ENERGY: 3710200 3991.2835 20647.0617 14437.5753 251.4436 -203182.9403 2446.0508 0.0000 0.0000 52286.6900 -109122.8353 300.4923 -161409.5253 -108769.2988 299.4913 -116.0211 -87.8098 762902.4062 -7.6967 -7.8028 PRESSURE: 3710400 141.041 72.0934 141.666 72.0928 -59.9775 192.024 141.667 192.024 -427.432 GPRESSURE: 3710400 128.178 28.7554 23.3571 198.054 -24.9349 141.778 200.357 177.261 -386.978 PRESSAVG: 3710400 25.6259 7.80608 4.7962 7.80607 -23.5478 -35.4501 4.79619 -35.4501 16.4558 GPRESSAVG: 3710400 24.4643 9.25122 3.58191 9.1002 -21.7625 -35.3196 6.6019 -36.1383 15.7847 TIMING: 3710400 CPU: 11591.4, 0.00309809/step Wall: 11591.4, 0.00309809/step, 1.1098 hours remaining, 234.773438 MB of memory in use. ENERGY: 3710400 3993.0144 20604.3306 14473.7468 241.7482 -203046.0980 2479.5537 0.0000 0.0000 52188.4834 -109065.2210 299.9279 -161253.7043 -108709.7996 299.8058 -115.4560 -94.5783 761726.7910 6.1780 6.1621 PRESSURE: 3710600 -52.798 87.2956 -49.0712 87.2963 -137.887 29.762 -49.0716 29.7621 192.781 GPRESSURE: 3710600 -44.4254 112.424 -90.2617 14.522 -78.8751 -29.8554 -144.597 15.9106 217.861 PRESSAVG: 3710600 -12.5592 -5.46861 29.4257 -5.46862 -4.4949 -34.9214 29.4257 -34.9215 -19.4694 GPRESSAVG: 3710600 -11.8097 -3.90142 29.7028 -5.7269 -5.83446 -36.2103 26.6272 -32.5957 -18.7921 TIMING: 3710600 CPU: 11592, 0.00311105/step Wall: 11592, 0.00311105/step, 1.11427 hours remaining, 234.773438 MB of memory in use. ENERGY: 3710600 3947.2894 20451.8504 14398.8401 246.2160 -203142.7533 2820.4707 0.0000 0.0000 52166.2936 -109111.7931 299.8004 -161278.0867 -108750.7943 299.5028 0.6988 31.5201 763670.9890 -12.1745 -12.1454 PRESSURE: 3710800 240.151 -43.5864 137.745 -43.5862 -107.86 -77.4423 137.746 -77.4449 -251.931 GPRESSURE: 3710800 320.796 -19.0365 154.969 36.2857 -105.806 -129.495 19.3386 -168.061 -242.304 PRESSAVG: 3710800 -21.7766 -31.7782 -12.707 -31.7782 50.0609 -7.1171 -12.707 -7.11721 38.1864 GPRESSAVG: 3710800 -22.2446 -32.4532 -14.0719 -34.2243 51.4479 -6.5653 -12.0606 -7.11722 38.0152 TIMING: 3710800 CPU: 11592.6, 0.00310517/step Wall: 11592.6, 0.00310517/step, 1.112 hours remaining, 234.773438 MB of memory in use. ENERGY: 3710800 3903.9088 20263.9970 14467.0304 254.0894 -202845.7035 2509.3595 0.0000 0.0000 52115.9722 -109331.3462 299.5112 -161447.3184 -108968.0794 299.2534 -39.8802 -9.1043 762406.4279 22.1569 22.4062 PRESSURE: 3711000 -222.974 -21.4953 -123.234 -21.4942 -164.613 88.067 -123.234 88.0675 -337.55 GPRESSURE: 3711000 -210.444 2.71973 -99.9551 -40.8424 -151.636 57.984 0.466472 82.2902 -287.377 PRESSAVG: 3711000 -8.40075 36.5459 -54.5281 36.546 30.7288 -40.8992 -54.5281 -40.8991 8.62467 GPRESSAVG: 3711000 -7.88396 37.189 -52.9587 38.4022 30.1543 -43.177 -54.2509 -39.9373 8.49827 TIMING: 3711000 CPU: 11593.2, 0.00309093/step Wall: 11593.2, 0.00309093/step, 1.10672 hours remaining, 234.773438 MB of memory in use. ENERGY: 3711000 3959.7381 20552.1880 14421.4336 257.6314 -202720.8861 2321.9427 0.0000 0.0000 51970.7718 -109237.1805 298.6767 -161207.9523 -108880.2571 298.6046 -241.7126 -216.4856 763870.4869 10.3176 10.2562 PRESSURE: 3711200 -279.884 -132.223 -337.061 -132.222 84.291 -23.8145 -337.06 -23.814 -215.883 GPRESSURE: 3711200 -171.018 -132.452 -298.585 -115.253 44.9821 -74.3212 -288.644 52.6688 -193.97 PRESSAVG: 3711200 -34.903 -15.1125 -64.6739 -15.1124 27.4463 4.36879 -64.6739 4.36875 -6.3967 GPRESSAVG: 3711200 -33.104 -16.767 -64.1044 -13.5587 27.2022 6.05778 -64.6397 2.36452 -7.72081 TIMING: 3711200 CPU: 11593.8, 0.00309512/step Wall: 11593.8, 0.00309512/step, 1.10805 hours remaining, 234.773438 MB of memory in use. ENERGY: 3711200 3886.6503 20349.7612 14417.0845 233.7697 -203029.7239 2726.7400 0.0000 0.0000 52213.8850 -109201.8331 300.0739 -161415.7181 -108842.7025 299.0279 -137.1588 -106.6687 763006.7471 -4.6178 -4.5409 PRESSURE: 3711400 -90.7108 -77.5816 -49.5134 -77.5814 -117.367 -4.88421 -49.5141 -4.88415 -160.667 GPRESSURE: 3711400 -100.849 -13.3392 -67.3906 -86.045 -134.51 20.9035 -176.971 -54.1772 -50.2875 PRESSAVG: 3711400 -16.5575 -59.7739 -24.8268 -59.774 13.5009 3.89056 -24.8268 3.89059 10.2226 GPRESSAVG: 3711400 -18.0861 -59.1843 -26.0481 -62.0451 12.2483 5.15608 -24.0141 4.7657 13.0492 TIMING: 3711400 CPU: 11594.5, 0.0031095/step Wall: 11594.5, 0.0031095/step, 1.11303 hours remaining, 234.773438 MB of memory in use. ENERGY: 3711400 3981.8530 20491.1465 14449.3619 220.9600 -203302.0910 2910.5351 0.0000 0.0000 51929.4388 -109318.7957 298.4392 -161248.2345 -108968.6715 299.2724 -122.9149 -95.2157 762455.0193 2.3886 2.4038 PRESSURE: 3711600 -381.553 -25.5244 22.3401 -25.5249 -379.949 -16.6161 22.3395 -16.6172 -439.374 GPRESSURE: 3711600 -428.079 -166.438 107.099 -172.584 -293.702 -92.7195 -23.7844 -40.7322 -393.278 PRESSAVG: 3711600 -16.2132 -41.1984 -14.7432 -41.1983 -20.2221 -17.901 -14.7431 -17.901 14.8222 GPRESSAVG: 3711600 -16.5818 -42.3623 -15.2104 -39.8971 -18.7451 -21.1149 -15.7548 -15.6739 14.1515 TIMING: 3711600 CPU: 11595.1, 0.0031155/step Wall: 11595.1, 0.0031155/step, 1.115 hours remaining, 234.773438 MB of memory in use. ENERGY: 3711600 3889.7365 20562.6611 14411.1944 253.7408 -202854.1956 2476.6506 0.0000 0.0000 51994.9822 -109265.2301 298.8159 -161260.2123 -108897.8882 298.4379 -400.2921 -371.6862 764121.9932 -7.2043 -7.0584 PRESSURE: 3711800 292.897 -18.5026 9.74128 -18.5029 174.138 -25.0858 9.74089 -25.0865 65.5038 GPRESSURE: 3711800 330.18 14.5389 98.1659 -52.4965 200.673 16.2456 83.6007 -9.98158 76.3729 PRESSAVG: 3711800 11.1242 -22.7707 -11.8763 -22.7706 28.5868 -0.47532 -11.8763 -0.475385 -20.8087 GPRESSAVG: 3711800 10.8038 -23.4213 -9.7734 -22.1118 29.4291 1.21756 -12.5867 -1.39037 -21.4875 TIMING: 3711800 CPU: 11595.7, 0.00310492/step Wall: 11595.7, 0.00310492/step, 1.11105 hours remaining, 234.773438 MB of memory in use. ENERGY: 3711800 3932.6186 20417.6137 14429.6649 254.7947 -203571.4389 3136.4359 0.0000 0.0000 52006.5322 -109393.7790 298.8823 -161400.3112 -109030.5699 298.6927 177.5129 202.4087 762524.3882 6.3008 6.2485 PRESSURE: 3712000 44.9929 1.95493 67.1201 1.95399 -57.8988 97.2409 67.1202 97.2416 1.2354 GPRESSURE: 3712000 31.91 4.03637 20.2845 34.0898 -70.6031 42.2801 1.17651 58.9273 84.0433 PRESSAVG: 3712000 -84.6643 -6.54936 -33.674 -6.54933 6.9661 -8.77282 -33.674 -8.77285 7.68734 GPRESSAVG: 3712000 -84.0809 -6.74405 -33.9336 -7.09674 5.86375 -7.69962 -33.5003 -10.1369 7.57148 TIMING: 3712000 CPU: 11596.3, 0.00310418/step Wall: 11596.3, 0.00310418/step, 1.11061 hours remaining, 234.773438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3712000 4043.1527 20613.4282 14421.5575 241.1757 -202978.8192 2489.3811 0.0000 0.0000 51965.7368 -109204.3872 298.6478 -161170.1239 -108846.2401 298.7408 -3.8902 15.1167 763055.3515 -23.3369 -23.5485 PRESSURE: 3712200 -404.483 -138.303 33.9956 -138.304 -235.595 6.06105 33.995 6.06116 -377.213 GPRESSURE: 3712200 -392.946 -134.032 26.0731 -242.321 -198.489 41.6765 43.8312 -19.6178 -330.372 PRESSAVG: 3712200 8.81121 -36.3875 19.8907 -36.3876 32.4864 5.06963 19.8906 5.06969 -5.22217 GPRESSAVG: 3712200 9.12817 -34.8225 19.247 -34.6643 31.9144 6.04352 21.4216 3.72595 -4.40911 TIMING: 3712200 CPU: 11597, 0.0031113/step Wall: 11597, 0.0031113/step, 1.11298 hours remaining, 234.773438 MB of memory in use. ENERGY: 3712200 3976.4050 20290.8741 14314.4512 253.7555 -202768.4873 2483.5798 0.0000 0.0000 52114.8667 -109334.5550 299.5049 -161449.4217 -108953.1476 299.1078 -339.0969 -307.2691 764814.7218 12.0252 12.2111 LDB: ============= START OF LOAD BALANCING ============== 11609.4 LDB: ============== END OF LOAD BALANCING =============== 11609.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11609.4 LDB: ============= START OF LOAD BALANCING ============== 11609.7 LDB: Largest compute 6998 load 0.028168 is 14.4% of average load 0.195275 LDB: Average compute 0.004367 is 2.2% of average load 0.195275 LDB: TIME 11609.7 LOAD: AVG 0.195275 MAX 0.214688 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.801 MB LDB: TIME 11609.8 LOAD: AVG 0.195275 MAX 0.214688 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.867 MB LDB: TIME 11609.8 LOAD: AVG 0.195275 MAX 0.214688 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.867 MB LDB: ============== END OF LOAD BALANCING =============== 11609.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11609.8 PRESSURE: 3712400 -68.6655 187.379 -74.136 187.378 -576.275 -186.757 -74.1356 -186.758 -317.419 GPRESSURE: 3712400 -65.7348 165.949 -46.5416 180.613 -480.013 -182.234 -52.9956 -108.982 -345.384 PRESSAVG: 3712400 47.6936 19.2634 -6.23005 19.2633 -44.531 -20.8542 -6.22999 -20.8542 4.71793 GPRESSAVG: 3712400 46.2785 19.0179 -5.45813 17.2516 -43.2573 -22.0238 -8.53214 -19.6776 4.42014 TIMING: 3712400 CPU: 11597.6, 0.00318386/step Wall: 11597.6, 0.00318386/step, 1.13876 hours remaining, 235.089844 MB of memory in use. ENERGY: 3712400 3972.9929 20410.7409 14357.7085 244.2365 -203040.5016 2571.5936 0.0000 0.0000 52079.3704 -109403.8587 299.3009 -161483.2291 -109044.6391 298.8864 -320.7864 -297.0438 763657.4943 2.6269 2.4804 PRESSURE: 3712600 340.601 85.7972 26.1613 85.7963 -192.058 -90.6546 26.1619 -90.6553 129.215 GPRESSURE: 3712600 344.364 93.0912 5.05289 -1.38067 -152.857 -98.4026 171.251 -200.315 162.172 PRESSAVG: 3712600 16.8443 -6.86372 18.273 -6.86367 -41.7514 -17.1132 18.273 -17.1131 6.30844 GPRESSAVG: 3712600 17.1021 -7.22156 16.3143 -8.06073 -42.0201 -15.6841 21.6923 -20.1454 6.38739 TIMING: 3712600 CPU: 11598.2, 0.003114/step Wall: 11598.2, 0.003114/step, 1.1136 hours remaining, 235.292969 MB of memory in use. ENERGY: 3712600 3953.5546 20676.6764 14360.0687 245.0471 -203388.8901 2803.1168 0.0000 0.0000 52016.6043 -109333.8221 298.9401 -161350.4265 -108971.3096 299.0969 92.5861 117.8933 762047.6010 -6.1995 -6.1768 PRESSURE: 3712800 -24.9153 55.9802 163.858 55.9804 126.943 -65.7745 163.858 -65.7743 -289.827 GPRESSURE: 3712800 -54.6068 20.4859 154.843 53.0304 176.567 -14.6397 90.3748 -0.463644 -209.23 PRESSAVG: 3712800 -4.23215 25.9029 48.8652 25.9028 23.0761 -18.6906 48.8652 -18.6906 15.1627 GPRESSAVG: 3712800 -2.50555 25.9461 48.8716 27.1585 22.6855 -19.2769 48.736 -15.5286 14.5523 TIMING: 3712800 CPU: 11598.8, 0.00312544/step Wall: 11598.8, 0.00312544/step, 1.11752 hours remaining, 235.292969 MB of memory in use. ENERGY: 3712800 3945.1183 20511.8888 14477.1131 260.6521 -203147.3370 2677.7349 0.0000 0.0000 51806.2385 -109468.5913 297.7312 -161274.8299 -109109.5932 298.9072 -62.5999 -29.0899 763722.5620 11.3355 11.5774 PRESSURE: 3713000 259.705 127.397 -302.837 127.398 -175.181 -91.6068 -302.838 -91.6072 474.99 GPRESSURE: 3713000 298.102 53.7706 -308.883 133.67 -56.3813 -32.2311 -263.131 -9.03332 411.243 PRESSAVG: 3713000 -22.5485 -13.3671 15.761 -13.3671 2.95669 -53.4702 15.7609 -53.4701 6.9907 GPRESSAVG: 3713000 -23.8093 -14.5361 16.1322 -13.0198 3.05789 -54.0676 14.3943 -53.8276 7.85105 TIMING: 3713000 CPU: 11599.5, 0.00312009/step Wall: 11599.5, 0.00312009/step, 1.11543 hours remaining, 235.292969 MB of memory in use. ENERGY: 3713000 3923.0245 20489.6985 14466.1199 250.0190 -203356.5036 2873.0356 0.0000 0.0000 51759.4021 -109595.2040 297.4620 -161354.6060 -109234.7614 299.0406 186.5048 217.6545 763613.5349 -4.2004 -4.3001 PRESSURE: 3713200 -328.597 -122.161 -56.4191 -122.16 80.596 -103.838 -56.4189 -103.837 278.139 GPRESSURE: 3713200 -292.092 -73.8279 -42.9575 -203.001 88.4465 -173.469 -178.665 -104.353 319.205 PRESSAVG: 3713200 -42.0906 51.1998 -29.0143 51.1998 30.0156 -33.2595 -29.0143 -33.2595 5.04393 GPRESSAVG: 3713200 -41.668 51.0911 -28.5617 51.6455 30.1259 -32.8684 -29.1861 -35.0015 5.31401 TIMING: 3713200 CPU: 11600.1, 0.00309477/step Wall: 11600.1, 0.00309477/step, 1.10621 hours remaining, 235.292969 MB of memory in use. ENERGY: 3713200 3936.3986 20519.5964 14463.8298 221.0032 -203061.4980 2486.9169 0.0000 0.0000 51869.8280 -109563.9250 298.0966 -161433.7531 -109214.5060 298.5029 10.0460 38.5197 764230.0135 -2.3437 -2.0760 PRESSURE: 3713400 -147.044 169.665 24.4792 169.665 -81.2732 129.05 24.4793 129.049 -142.501 GPRESSURE: 3713400 -137.779 135.153 17.0184 210.519 -74.9903 85.9432 -92.8299 255.361 -91.1216 PRESSAVG: 3713400 -6.87817 14.3109 9.90335 14.3109 19.4036 7.68562 9.90329 7.68556 2.21839 GPRESSAVG: 3713400 -8.90347 14.7146 10.9842 13.826 21.1572 7.11 8.93466 9.94323 3.07516 TIMING: 3713400 CPU: 11600.7, 0.00309194/step Wall: 11600.7, 0.00309194/step, 1.10503 hours remaining, 235.292969 MB of memory in use. ENERGY: 3713400 4012.6617 20443.7027 14457.9613 257.9464 -203276.5043 2642.3215 0.0000 0.0000 51783.4616 -109678.4489 297.6003 -161461.9106 -109318.1124 298.4267 -123.6060 -101.2970 763883.9750 4.9146 5.1096 PRESSURE: 3713600 163.198 187.53 -183.292 187.529 -48.4287 -134.185 -183.292 -134.185 -179.523 GPRESSURE: 3713600 157.123 127.569 -149.321 129.127 -25.8117 -123.805 -143.344 -279.673 -100.722 PRESSAVG: 3713600 17.4594 -21.3188 50.2839 -21.3189 -26.3809 -13.8284 50.2839 -13.8284 7.46111 GPRESSAVG: 3713600 18.3419 -20.8655 49.5887 -20.7696 -27.5962 -13.6364 51.1639 -14.6838 7.3516 TIMING: 3713600 CPU: 11601.3, 0.00309141/step Wall: 11601.3, 0.00309141/step, 1.10467 hours remaining, 235.292969 MB of memory in use. ENERGY: 3713600 3923.9947 20407.1342 14403.1269 249.9225 -203353.6581 2842.4423 0.0000 0.0000 51811.4042 -109715.6334 297.7609 -161527.0375 -109364.0596 298.2296 -21.5844 10.1964 764705.1516 -0.4868 -0.6342 PRESSURE: 3713800 28.4411 -102.546 146.213 -102.545 -170.761 -155.513 146.214 -155.514 119.639 GPRESSURE: 3713800 128.881 -69.1752 12.276 -57.209 -127.783 -149.554 75.6613 -103.206 80.6494 PRESSAVG: 3713800 -48.4077 46.328 12.815 46.328 22.8233 -36.7775 12.815 -36.7775 30.5044 GPRESSAVG: 3713800 -47.7323 48.6202 11.9471 43.8887 22.4538 -37.1994 11.6338 -35.5415 30.7833 TIMING: 3713800 CPU: 11601.9, 0.00309864/step Wall: 11601.9, 0.00309864/step, 1.10708 hours remaining, 235.292969 MB of memory in use. ENERGY: 3713800 3997.2826 20215.0720 14409.1861 259.8100 -203109.6808 2791.6925 0.0000 0.0000 51758.2754 -109678.3621 297.4555 -161436.6375 -109322.5698 298.1399 -7.5601 27.2491 763159.6496 1.6400 1.8349 PRESSURE: 3714000 -222.394 -275.281 113.664 -275.281 -145.279 -153.726 113.664 -153.726 -308.022 GPRESSURE: 3714000 -116.652 -328.639 137.651 -210.182 -190.353 -179.203 141.836 -148.45 -288.981 PRESSAVG: 3714000 -12.7183 -21.9625 -16.9414 -21.9626 -2.26199 -22.2116 -16.9415 -22.2116 -2.52607 GPRESSAVG: 3714000 -12.8887 -22.7558 -15.6063 -22.5184 -1.10911 -22.1962 -16.2303 -23.4085 -3.11848 TIMING: 3714000 CPU: 11602.6, 0.00308017/step Wall: 11602.6, 0.00308017/step, 1.10031 hours remaining, 235.292969 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: 3714000 4012.0688 20435.1318 14468.1041 222.6749 -203608.0302 2811.7790 0.0000 0.0000 51896.2212 -109762.0504 298.2483 -161658.2715 -109399.3686 297.5152 -225.2316 -198.6620 761949.3144 -5.8355 -5.7054 PRESSURE: 3714200 137.92 -181.393 129.16 -181.393 103.652 166.944 129.16 166.944 2.38991 GPRESSURE: 3714200 169.861 -82.2596 118.014 -143.648 134.462 227.376 272.724 135.56 12.735 PRESSAVG: 3714200 3.63697 -21.7959 36.7395 -21.7959 -26.9052 77.7956 36.7394 77.7956 -21.054 GPRESSAVG: 3714200 3.93177 -24.2368 36.5147 -20.584 -27.4979 78.3638 36.6055 77.2774 -20.4795 TIMING: 3714200 CPU: 11603.2, 0.00310235/step Wall: 11603.2, 0.00310235/step, 1.10805 hours remaining, 235.292969 MB of memory in use. ENERGY: 3714200 3871.3211 20313.2710 14387.9027 256.2871 -203590.8199 3002.0260 0.0000 0.0000 51939.9237 -109820.0884 298.4995 -161760.0120 -109464.1863 297.8855 81.3205 105.6861 762350.7649 -14.7741 -14.6819 PRESSURE: 3714400 0.422811 -141.312 107.529 -141.313 16.8778 78.4763 107.529 78.4753 -178.236 GPRESSURE: 3714400 6.60629 -64.9693 124.893 -182.209 65.041 56.5876 143.574 205.905 -142.194 PRESSAVG: 3714400 -45.5102 -11.0685 28.9015 -11.0685 28.962 -19.7087 28.9016 -19.7087 10.755 GPRESSAVG: 3714400 -44.8102 -9.8597 29.3364 -11.0989 29.0643 -18.8115 29.7368 -19.1057 10.0947 TIMING: 3714400 CPU: 11603.8, 0.00308957/step Wall: 11603.8, 0.00308957/step, 1.10332 hours remaining, 235.292969 MB of memory in use. ENERGY: 3714400 3930.5119 20385.2308 14451.5802 235.6813 -203116.0585 2596.9527 0.0000 0.0000 51745.8090 -109770.2925 297.3839 -161516.1015 -109408.0006 297.7177 -53.6451 -23.5154 762564.1519 -1.9311 -1.8837 PRESSURE: 3714600 169.691 -147.3 -62.7194 -147.3 272.168 104.578 -62.7193 104.578 53.3576 GPRESSURE: 3714600 231.207 -203.677 -47.2245 -186.152 267.043 120.239 -165.61 93.3238 67.7593 PRESSAVG: 3714600 31.0353 -41.0063 51.6575 -41.0063 -32.3393 5.41908 51.6575 5.41914 -1.57646 GPRESSAVG: 3714600 31.0303 -39.9172 51.1975 -40.1044 -32.897 5.44951 51.5962 4.93257 -0.977383 TIMING: 3714600 CPU: 11604.4, 0.00312035/step Wall: 11604.4, 0.00312035/step, 1.11414 hours remaining, 235.292969 MB of memory in use. ENERGY: 3714600 4011.5541 20319.3571 14383.7255 238.1280 -203336.0944 2804.7071 0.0000 0.0000 51957.1357 -109621.4870 298.5984 -161578.6227 -109263.7290 298.4130 165.0723 188.6698 762913.6512 -0.9601 -0.9480 PRESSURE: 3714800 61.3065 15.0092 -247.486 15.0095 -210.173 -153.005 -247.486 -153.006 -365.312 GPRESSURE: 3714800 44.8577 52.2576 -262.734 -7.50079 -162.641 -181.102 -161.608 -241.236 -307.582 PRESSAVG: 3714800 46.0191 -10.9358 11.931 -10.9358 -26.0836 41.3807 11.9309 41.3807 -5.77562 GPRESSAVG: 3714800 45.2296 -11.4607 10.5736 -12.174 -25.2573 39.9724 11.4121 39.8921 -5.93318 TIMING: 3714800 CPU: 11605, 0.00309083/step Wall: 11605, 0.00309083/step, 1.10343 hours remaining, 235.292969 MB of memory in use. ENERGY: 3714800 3969.8491 20470.5983 14353.9560 245.6696 -203293.2505 2625.0030 0.0000 0.0000 52001.1281 -109627.0464 298.8512 -161628.1745 -109265.2497 298.3614 -171.3928 -141.7886 764480.5480 4.7200 4.6797 PRESSURE: 3715000 -278.778 -68.934 125.553 -68.9332 -185.547 -271.02 125.552 -271.02 -152.359 GPRESSURE: 3715000 -314.077 -49.4803 188.415 -117.056 -118.845 -253.758 69.572 -263.405 -95.5079 PRESSAVG: 3715000 0.968601 6.56204 -14.5834 6.56197 -41.3371 -30.799 -14.5834 -30.7989 24.5863 GPRESSAVG: 3715000 1.22291 4.99759 -13.8885 9.04913 -42.6425 -32.4481 -14.2437 -28.7901 25.1355 TIMING: 3715000 CPU: 11605.7, 0.00309344/step Wall: 11605.7, 0.00309345/step, 1.10419 hours remaining, 235.292969 MB of memory in use. ENERGY: 3715000 4011.5896 20412.9042 14407.8424 237.9952 -203140.8139 2650.2968 0.0000 0.0000 51802.5288 -109617.6569 297.7098 -161420.1857 -109267.8194 297.8809 -205.5611 -176.1433 764125.0820 -5.2607 -5.4281 PRESSURE: 3715200 -148.438 127.411 296.166 127.411 183.379 18.817 296.167 18.8171 -211.243 GPRESSURE: 3715200 -113.266 32.0057 277.157 205.598 191.454 100.024 169.181 108.542 -176.62 PRESSAVG: 3715200 -17.7629 13.8318 39.0574 13.8317 10.7662 4.73804 39.0574 4.73806 -18.7698 GPRESSAVG: 3715200 -18.1846 14.2284 39.3449 13.9499 11.7918 6.67212 39.0946 2.80179 -19.6011 TIMING: 3715200 CPU: 11606.3, 0.00308143/step Wall: 11606.3, 0.00308143/step, 1.09973 hours remaining, 235.292969 MB of memory in use. ENERGY: 3715200 3919.7424 20369.7392 14400.2224 256.4830 -203184.2211 2665.7890 0.0000 0.0000 51852.7817 -109719.4633 297.9986 -161572.2451 -109355.0648 297.5211 -58.7673 -32.8108 763561.9677 -8.5888 -8.6646 PRESSURE: 3715400 -154.982 25.7869 22.3132 25.7877 -196.23 197.55 22.3138 197.55 12.5537 GPRESSURE: 3715400 -143.891 86.8209 3.19176 -16.8748 -181.159 150.11 -69.9572 194.403 64.0126 PRESSAVG: 3715400 52.019 -17.4993 23.9498 -17.4994 -43.6665 -2.36486 23.9498 -2.3649 -11.0695 GPRESSAVG: 3715400 51.6977 -17.5224 25.4659 -18.7104 -44.205 -3.38376 22.0907 -1.18121 -9.92314 TIMING: 3715400 CPU: 11606.9, 0.0030972/step Wall: 11606.9, 0.0030972/step, 1.10519 hours remaining, 235.292969 MB of memory in use. ENERGY: 3715400 3943.4170 20508.1261 14423.4210 257.2153 -202924.2775 2499.4550 0.0000 0.0000 51674.5080 -109618.1352 296.9741 -161292.6431 -109255.4899 298.1574 -112.8860 -87.0123 763043.9156 -0.9057 -0.8101 PRESSURE: 3715600 137.944 -74.8955 46.8186 -74.895 -245.368 -169.749 46.8182 -169.749 -113.635 GPRESSURE: 3715600 227.236 -59.6087 43.7061 -134.448 -261.443 -117.507 50.4745 -44.9593 -107.983 PRESSAVG: 3715600 -3.09125 -18.0896 34.7789 -18.0896 45.9159 55.441 34.7788 55.441 22.4219 GPRESSAVG: 3715600 -2.8586 -16.7966 33.543 -20.3283 46.0661 56.4563 34.8808 54.0787 22.3903 TIMING: 3715600 CPU: 11607.5, 0.00310204/step Wall: 11607.5, 0.00310204/step, 1.10674 hours remaining, 235.292969 MB of memory in use. ENERGY: 3715600 4030.1827 20495.0876 14426.1017 228.1619 -203434.3264 2755.7444 0.0000 0.0000 51975.7030 -109523.3451 298.7051 -161499.0481 -109170.7210 298.9552 -73.6864 -47.3966 762645.3431 21.7489 21.8660 PRESSURE: 3715800 35.161 241.326 -133.753 241.326 -108.324 140.953 -133.753 140.953 209.124 GPRESSURE: 3715800 56.6629 295.088 -108.689 310.895 -19.327 210.983 -63.4157 91.6486 195.23 PRESSAVG: 3715800 38.7871 -11.284 11.3061 -11.2839 -93.6629 26.4495 11.306 26.4495 3.87669 GPRESSAVG: 3715800 38.5679 -12.1569 12.5891 -8.73253 -93.7116 26.5327 11.0278 26.0576 3.96579 TIMING: 3715800 CPU: 11608.1, 0.00310281/step Wall: 11608.1, 0.00310281/step, 1.10684 hours remaining, 235.292969 MB of memory in use. ENERGY: 3715800 4070.6209 20322.8040 14439.2604 244.9489 -203114.9088 2735.3683 0.0000 0.0000 51859.0256 -109442.8807 298.0345 -161301.9062 -109080.8661 298.3236 45.3205 77.5218 763121.0058 -16.9997 -17.0593 PRESSURE: 3716000 76.5848 -61.8391 111.215 -61.8391 -243.276 146.083 111.215 146.083 181.261 GPRESSURE: 3716000 -6.75742 92.4272 69.0474 -94.048 -164.429 219.609 -2.88076 213.627 279.428 PRESSAVG: 3716000 -31.0075 -16.1727 -16.2857 -16.1727 -1.28608 37.9849 -16.2858 37.985 -2.91831 GPRESSAVG: 3716000 -31.3319 -17.4578 -18.2825 -15.6431 -0.743994 38.3885 -15.8726 38.8524 -3.33154 TIMING: 3716000 CPU: 11608.7, 0.00309513/step Wall: 11608.7, 0.00309513/step, 1.10393 hours remaining, 235.292969 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: 3716000 3957.6359 20496.0814 14444.7158 229.7298 -203227.9345 2780.2166 0.0000 0.0000 52071.5285 -109248.0265 299.2558 -161319.5550 -108888.3527 299.3932 4.8565 36.0807 762608.8807 -11.7373 -11.8025 PRESSURE: 3716200 -20.5894 42.343 -81.1693 42.3421 -209.414 128.732 -81.17 128.733 221.651 GPRESSURE: 3716200 -4.55811 57.3414 21.5675 48.7763 -103.052 114.714 -112.33 121.568 184.734 PRESSAVG: 3716200 14.0252 -24.5886 -30.9368 -24.5886 -25.972 0.223819 -30.9368 0.223857 7.77658 GPRESSAVG: 3716200 15.215 -23.0459 -29.819 -25.3157 -27.21 -0.729612 -30.5208 -0.207773 8.28729 TIMING: 3716200 CPU: 11609.4, 0.00311221/step Wall: 11609.4, 0.00311221/step, 1.10985 hours remaining, 235.292969 MB of memory in use. ENERGY: 3716200 3984.8663 20582.4456 14475.4673 249.0658 -203453.1002 2661.1221 0.0000 0.0000 52128.6499 -109371.4833 299.5841 -161500.1332 -109009.0527 299.1310 -2.7839 25.7081 762589.3032 -1.3901 -1.2359 LDB: ============= START OF LOAD BALANCING ============== 11621.8 LDB: ============== END OF LOAD BALANCING =============== 11621.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11621.9 LDB: ============= START OF LOAD BALANCING ============== 11622.2 LDB: Largest compute 7056 load 0.027831 is 14.3% of average load 0.195221 LDB: Average compute 0.004378 is 2.2% of average load 0.195221 LDB: TIME 11622.2 LOAD: AVG 0.195221 MAX 0.214969 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.859 MB LDB: TIME 11622.2 LOAD: AVG 0.195221 MAX 0.214969 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.859 MB LDB: TIME 11622.2 LOAD: AVG 0.195221 MAX 0.214969 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.859 MB LDB: ============== END OF LOAD BALANCING =============== 11622.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11622.2 PRESSURE: 3716400 -203.774 23.4596 97.7634 23.4591 -75.698 -199.056 97.7629 -199.056 252.569 GPRESSURE: 3716400 -133.211 -1.84698 120.951 -148.65 -45.6348 -79.4006 21.1398 -123.379 235.634 PRESSAVG: 3716400 39.6744 26.6539 -47.0629 26.6539 -34.7124 -2.36177 -47.0629 -2.36171 21.2319 GPRESSAVG: 3716400 38.1922 26.0671 -47.9159 26.1662 -32.837 -3.72006 -46.1059 -0.646801 21.0547 TIMING: 3716400 CPU: 11610, 0.00317152/step Wall: 11610, 0.00317152/step, 1.13082 hours remaining, 234.886719 MB of memory in use. ENERGY: 3716400 3988.9442 20619.6258 14440.7351 252.0416 -203585.6310 2783.2555 0.0000 0.0000 52071.0883 -109429.9406 299.2533 -161501.0289 -109068.7619 299.0427 -8.9674 18.9297 763003.5535 8.7313 8.8033 PRESSURE: 3716600 104.355 7.81065 -146.69 7.81084 212.269 -177.784 -146.69 -177.784 89.2234 GPRESSURE: 3716600 123.79 24.6827 -97.4805 -10.6478 276.874 -180.261 -237.37 -87.5417 85.651 PRESSAVG: 3716600 23.7888 12.8904 23.0074 12.8904 56.8086 15.1532 23.0074 15.1532 5.28262 GPRESSAVG: 3716600 24.5479 13.229 22.6678 10.9756 56.2623 15.94 23.6787 13.065 5.32418 TIMING: 3716600 CPU: 11610.6, 0.00310471/step Wall: 11610.6, 0.00310471/step, 1.10683 hours remaining, 234.886719 MB of memory in use. ENERGY: 3716600 3997.1236 20565.7257 14340.9736 249.9832 -203722.3659 2955.0889 0.0000 0.0000 51998.6321 -109614.8388 298.8369 -161613.4709 -109249.3293 299.6192 135.2825 162.1048 762924.3813 28.6267 28.7115 PRESSURE: 3716800 -1.84377 70.4499 208.274 70.4495 -386.29 -88.494 208.274 -88.4936 159.9 GPRESSURE: 3716800 47.2908 54.8138 140.916 119.285 -342.834 -104.925 150.727 -132.296 156.771 PRESSAVG: 3716800 37.1698 50.4195 51.8152 50.4195 -26.3466 0.492902 51.8151 0.492881 4.06588 GPRESSAVG: 3716800 38.6773 51.8405 51.6386 51.4068 -28.0277 0.960829 53.1037 1.69171 3.94604 TIMING: 3716800 CPU: 11611.2, 0.00308526/step Wall: 11611.2, 0.00308525/step, 1.09972 hours remaining, 234.886719 MB of memory in use. ENERGY: 3716800 4073.8713 20391.7703 14368.9302 254.5415 -203345.6208 2704.5155 0.0000 0.0000 52057.1552 -109494.8367 299.1732 -161551.9919 -109139.2313 298.7646 -76.0780 -46.2573 762088.5626 4.9630 4.8652 PRESSURE: 3717000 -110.336 43.5523 -67.478 43.5529 -268.325 178.749 -67.4792 178.749 -377.795 GPRESSURE: 3717000 -124.557 35.3944 -53.9283 31.6393 -251.123 249.754 -55.6234 194.997 -281.141 PRESSAVG: 3717000 -9.29861 22.2624 59.4181 22.2624 33.4496 2.96306 59.4181 2.96309 -12.7796 GPRESSAVG: 3717000 -10.8668 20.5219 59.2792 24.5584 34.3359 2.27515 56.7612 1.00602 -12.1851 TIMING: 3717000 CPU: 11611.9, 0.00308027/step Wall: 11611.9, 0.00308027/step, 1.09777 hours remaining, 234.886719 MB of memory in use. ENERGY: 3717000 4087.5279 20618.2362 14455.4865 266.0771 -203313.5435 2401.9769 0.0000 0.0000 52011.4230 -109472.8158 298.9104 -161484.2388 -109113.9662 299.0860 -252.1519 -218.9402 762449.3658 3.7905 3.7613 PRESSURE: 3717200 -61.6321 68.7986 -146.65 68.7988 372.118 216.058 -146.65 216.058 475.128 GPRESSURE: 3717200 123.723 8.16815 -76.094 168.1 299.859 160.289 -114.173 153.662 435.948 PRESSAVG: 3717200 45.1596 -52.8986 24.1404 -52.8986 -58.4675 -24.7495 24.1405 -24.7495 17.9156 GPRESSAVG: 3717200 46.1762 -56.031 25.278 -52.4292 -57.7681 -24.844 24.5873 -24.0437 16.2018 TIMING: 3717200 CPU: 11612.5, 0.00308972/step Wall: 11612.5, 0.00308972/step, 1.10097 hours remaining, 234.886719 MB of memory in use. ENERGY: 3717200 4008.6944 20722.2394 14405.3204 256.0263 -203620.0161 2782.8615 0.0000 0.0000 52269.0438 -109175.8304 300.3909 -161444.8742 -108818.0517 299.0928 261.8715 286.5098 763477.7640 1.5359 1.5366 PRESSURE: 3717400 -117.591 52.8925 -84.4562 52.8913 -190.026 -80.2075 -84.4555 -80.2066 -74.4881 GPRESSURE: 3717400 -104.643 -39.4399 -81.4216 -34.9212 -182.16 -22.5634 27.1986 -197.765 8.12877 PRESSAVG: 3717400 41.8962 -31.8307 -2.54354 -31.8307 -39.1173 -2.78532 -2.5435 -2.78528 -4.43783 GPRESSAVG: 3717400 42.1535 -27.8794 -1.62579 -34.5776 -39.2637 -2.07025 -0.214664 -4.10898 -4.42772 TIMING: 3717400 CPU: 11613.1, 0.00308987/step Wall: 11613.1, 0.00308987/step, 1.10085 hours remaining, 234.886719 MB of memory in use. ENERGY: 3717400 3990.7149 20619.2707 14477.8388 256.1903 -203467.6392 2933.9727 0.0000 0.0000 51907.3635 -109282.2884 298.3123 -161189.6518 -108924.1461 299.7318 -127.3684 -92.8915 763299.5534 -0.5530 -0.5126 PRESSURE: 3717600 101.161 -283.227 -20.6327 -283.228 -271.816 56.5441 -20.6333 56.5441 -211.083 GPRESSURE: 3717600 97.3874 -220.108 21.318 -260.493 -220.034 -20.5697 -21.7046 36.8996 -162.182 PRESSAVG: 3717600 29.9612 -0.233354 19.5818 -0.233328 -46.2786 9.46732 19.5818 9.46735 -8.06177 GPRESSAVG: 3717600 30.4619 -2.36048 19.1841 -0.02771 -47.1278 7.41312 18.9046 11.6015 -8.00661 TIMING: 3717600 CPU: 11613.7, 0.00308708/step Wall: 11613.7, 0.00308708/step, 1.09968 hours remaining, 234.886719 MB of memory in use. ENERGY: 3717600 3927.4107 20416.8071 14557.3921 260.9564 -203301.8150 3021.3668 0.0000 0.0000 52079.9334 -109037.9483 299.3041 -161117.8817 -108682.1734 299.5863 -127.2460 -94.9429 765355.0443 -8.1264 -8.2242 PRESSURE: 3717800 -380.032 133.183 -34.1238 133.183 -112.15 -434.311 -34.124 -434.31 -201.783 GPRESSURE: 3717800 -309.374 181.84 -46.5775 136.01 -69.905 -438.568 -34.5342 -256.375 -227.928 PRESSAVG: 3717800 88.4148 -30.7088 34.6238 -30.7088 -128.317 21.394 34.6238 21.3939 -29.6213 GPRESSAVG: 3717800 87.916 -32.0377 33.1404 -30.1934 -128.524 23.533 34.3454 22.8157 -29.1556 TIMING: 3717800 CPU: 11614.3, 0.00308823/step Wall: 11614.3, 0.00308823/step, 1.09992 hours remaining, 234.886719 MB of memory in use. ENERGY: 3717800 4069.2224 20563.9595 14361.6216 246.3687 -203453.4019 2754.3617 0.0000 0.0000 52506.2955 -108951.5725 301.7544 -161457.8680 -108585.0324 300.0636 -231.3219 -202.4021 763008.1229 -23.1744 -23.2545 PRESSURE: 3718000 7.20297 -98.8682 196.61 -98.8689 -13.0397 3.40677 196.61 3.40712 263.37 GPRESSURE: 3718000 -36.4414 -140.899 194.341 -20.4139 84.8376 -75.6771 34.594 8.17558 272.576 PRESSAVG: 3718000 1.37436 -51.3385 -8.24179 -51.3385 -30.8298 29.6283 -8.24179 29.6283 19.6272 GPRESSAVG: 3718000 2.21614 -47.7441 -6.75592 -49.6383 -31.1405 29.1783 -8.28266 27.9506 19.6565 TIMING: 3718000 CPU: 11614.9, 0.00308337/step Wall: 11614.9, 0.00308337/step, 1.09802 hours remaining, 234.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3718000 3971.3753 20603.9571 14465.9020 258.6561 -202892.8338 2633.9958 0.0000 0.0000 51896.5445 -109062.4031 298.2502 -160958.9475 -108708.8323 299.7831 85.8443 106.9906 764290.7739 -3.2761 -3.0893 PRESSURE: 3718200 -18.9075 -118.068 -195.722 -118.069 122.373 -68.4484 -195.722 -68.4481 153.291 GPRESSURE: 3718200 86.7354 16.8473 -217.152 -131.584 110.311 -35.3024 -80.1534 -214.942 143.848 PRESSAVG: 3718200 25.665 -15.726 -57.1556 -15.726 -34.9271 -12.9716 -57.1555 -12.9717 10.5169 GPRESSAVG: 3718200 25.5032 -14.527 -58.0644 -16.9144 -34.7609 -12.5947 -56.8465 -12.8286 10.78 TIMING: 3718200 CPU: 11615.6, 0.0030983/step Wall: 11615.6, 0.0030983/step, 1.10317 hours remaining, 234.886719 MB of memory in use. ENERGY: 3718200 4046.2447 20545.3395 14441.4007 260.7088 -203795.0912 3159.9524 0.0000 0.0000 52243.1996 -109098.2456 300.2424 -161341.4452 -108732.9655 299.3168 85.5856 113.6313 762475.2468 0.4182 0.5074 PRESSURE: 3718400 -329.149 -268.418 73.3481 -268.418 -293.223 228.564 73.3479 228.564 -28.0971 GPRESSURE: 3718400 -328.318 -253.139 90.6629 -329.658 -247.499 201.707 151.375 220.988 11.1502 PRESSAVG: 3718400 19.4779 -28.9728 10.511 -28.9728 4.87034 25.518 10.5109 25.5179 11.0592 GPRESSAVG: 3718400 19.2698 -30.8951 10.7683 -28.5999 5.52275 25.9752 10.6222 23.9798 11.1745 TIMING: 3718400 CPU: 11616.2, 0.0031053/step Wall: 11616.2, 0.0031053/step, 1.10549 hours remaining, 234.886719 MB of memory in use. ENERGY: 3718400 4050.1619 20693.0628 14455.2707 234.5280 -203371.7602 2734.6848 0.0000 0.0000 52027.9421 -109176.1100 299.0053 -161204.0521 -108812.5216 299.7584 -216.8230 -188.2223 762529.1256 11.8025 11.9890 PRESSURE: 3718600 116.026 -1.97831 172.187 -1.97864 -198.562 -83.204 172.187 -83.2051 -1.78692 GPRESSURE: 3718600 89.47 46.6655 187.92 -43.6182 -104.483 -66.9598 68.3257 -63.1961 23.9821 PRESSAVG: 3718600 49.7884 -28.0692 19.4359 -28.0692 14.3196 62.3023 19.4359 62.3022 -6.93155 GPRESSAVG: 3718600 50.2153 -27.5355 20.3638 -28.8529 15.1659 60.7174 16.5217 63.002 -7.96898 TIMING: 3718600 CPU: 11616.8, 0.00309735/step Wall: 11616.8, 0.00309735/step, 1.10248 hours remaining, 234.886719 MB of memory in use. ENERGY: 3718600 3942.4897 20599.8315 14434.6298 243.5564 -203103.4178 2456.7835 0.0000 0.0000 51995.1417 -109430.9852 298.8168 -161426.1269 -109061.2550 299.8970 -28.1076 2.9896 761959.5401 19.0588 19.1374 PRESSURE: 3718800 65.1183 313.17 -131.995 313.169 -49.4535 -31.5951 -131.994 -31.594 -192.262 GPRESSURE: 3718800 74.5814 256.789 -71.443 251.457 17.2386 -46.5686 -94.4687 -33.0407 -186.021 PRESSAVG: 3718800 -26.7858 -44.3544 -33.6859 -44.3544 22.5714 47.3296 -33.686 47.3296 16.9226 GPRESSAVG: 3718800 -28.1009 -44.4443 -33.9166 -46.4447 22.0572 48.8767 -29.9218 48.2348 18.8931 TIMING: 3718800 CPU: 11617.4, 0.00309519/step Wall: 11617.4, 0.00309519/step, 1.10154 hours remaining, 234.886719 MB of memory in use. ENERGY: 3718800 3947.4181 20709.0398 14380.9359 266.1728 -203407.4134 2825.1656 0.0000 0.0000 51938.7735 -109339.9076 298.4928 -161278.6811 -108978.7187 299.1931 -58.8656 -31.4002 763116.4864 4.2360 4.2831 PRESSURE: 3719000 223.657 -61.5673 -102.027 -61.5677 -17.5492 138.758 -102.025 138.758 -88.598 GPRESSURE: 3719000 218.763 -51.67 -69.5808 -130.827 151.401 150.749 -39.4871 161.95 -174.456 PRESSAVG: 3719000 65.4369 -9.00634 -15.3171 -9.00635 -48.1103 52.4755 -15.3171 52.4755 -14.3817 GPRESSAVG: 3719000 66.0969 -9.33805 -16.9462 -6.7936 -48.2354 51.31 -15.2825 50.5478 -14.6832 TIMING: 3719000 CPU: 11618, 0.00310081/step Wall: 11618, 0.00310081/step, 1.10337 hours remaining, 234.886719 MB of memory in use. ENERGY: 3719000 3997.5432 20678.1474 14422.4518 254.9244 -202937.4082 2378.5614 0.0000 0.0000 52190.6915 -109015.0885 299.9406 -161205.7800 -108649.4388 299.6759 39.1698 65.2361 762343.5058 0.9816 1.0595 PRESSURE: 3719200 -401.866 316.932 -37.7027 316.932 -267.651 -48.58 -37.7024 -48.5793 -160.97 GPRESSURE: 3719200 -353.039 260.814 6.46054 337.543 -265.1 2.55006 44.6406 -96.4782 -136.069 PRESSAVG: 3719200 -22.6277 -21.8663 -2.75324 -21.8663 24.862 39.0717 -2.75328 39.0716 1.46829 GPRESSAVG: 3719200 -22.8674 -23.4298 -3.22533 -22.3743 25.3003 39.1864 -2.64006 39.9598 1.48252 TIMING: 3719200 CPU: 11618.7, 0.00309286/step Wall: 11618.7, 0.00309286/step, 1.10037 hours remaining, 234.886719 MB of memory in use. ENERGY: 3719200 4017.4194 20813.4331 14480.3456 244.8235 -202948.2973 2283.8720 0.0000 0.0000 52113.4493 -108994.9544 299.4967 -161108.4037 -108631.2940 300.5627 -276.8290 -251.4026 763012.2880 1.2342 1.3051 PRESSURE: 3719400 -95.6977 52.8913 2.9702 52.8902 -266.574 42.912 2.97046 42.9132 76.3491 GPRESSURE: 3719400 3.18527 -40.7198 -38.9623 130.732 -232.092 84.8995 -31.9447 -53.1276 26.177 PRESSAVG: 3719400 3.22494 3.64464 11.7875 3.64468 -11.932 -24.082 11.7875 -24.082 10.6568 GPRESSAVG: 3719400 3.75212 6.0521 12.8237 2.52372 -11.739 -22.6857 11.2792 -22.7009 9.9853 TIMING: 3719400 CPU: 11619.3, 0.00309193/step Wall: 11619.3, 0.00309193/step, 1.09987 hours remaining, 234.886719 MB of memory in use. ENERGY: 3719400 3966.0997 20614.1862 14449.1281 229.6727 -203232.4189 2583.2779 0.0000 0.0000 52254.4560 -109135.5983 300.3071 -161390.0544 -108768.6702 299.8933 -95.3077 -67.5765 762566.7790 0.6499 0.6661 PRESSURE: 3719600 543.896 -90.1903 -255.864 -90.19 53.5334 85.8985 -255.864 85.8978 32.5742 GPRESSURE: 3719600 508.401 -106.513 -274.661 -60.034 119.493 83.5996 -117.625 114.906 64.3376 PRESSAVG: 3719600 -8.0705 -24.6271 -89.3418 -24.6271 22.5144 -20.9426 -89.3418 -20.9426 -2.12521 GPRESSAVG: 3719600 -7.70527 -24.7592 -89.2507 -23.1892 21.0921 -21.1988 -90.1448 -21.7781 -0.736539 TIMING: 3719600 CPU: 11619.9, 0.00308862/step Wall: 11619.9, 0.00308862/step, 1.09852 hours remaining, 234.886719 MB of memory in use. ENERGY: 3719600 3985.1693 20619.8026 14512.6715 242.8223 -203778.8630 2905.0412 0.0000 0.0000 52326.1520 -109187.2041 300.7191 -161513.3561 -108822.2027 299.5469 210.0012 230.7441 761099.4439 4.1062 4.2168 PRESSURE: 3719800 -413.277 69.9839 13.4995 69.9839 -167.023 -102.764 13.4992 -102.765 -181.853 GPRESSURE: 3719800 -375.629 -7.88868 8.02455 24.3317 -184.081 -65.1217 122.891 -150.272 -119.92 PRESSAVG: 3719800 20.1739 -28.9949 6.81304 -28.9949 14.2733 -63.36 6.81303 -63.3601 -7.79959 GPRESSAVG: 3719800 20.1041 -30.1361 6.29448 -28.9306 15.3495 -64.4702 8.51031 -65.0094 -8.17595 TIMING: 3719800 CPU: 11620.5, 0.00310108/step Wall: 11620.5, 0.00310108/step, 1.10278 hours remaining, 234.886719 MB of memory in use. ENERGY: 3719800 4050.0015 20623.8127 14484.6362 254.4696 -203044.4871 2423.9804 0.0000 0.0000 52033.2329 -109174.3538 299.0357 -161207.5867 -108803.7302 299.7903 -254.0512 -226.5432 763203.4115 8.8825 9.0926 PRESSURE: 3720000 -111.889 -16.3633 130.363 -16.3626 27.9051 69.7098 130.363 69.7109 -40.5535 GPRESSURE: 3720000 -167.123 -6.43138 86.6632 -74.9648 142.225 50.0478 14.9144 39.1838 -27.3294 PRESSAVG: 3720000 16.5404 1.14616 -61.5179 1.14614 -51.0893 -21.1783 -61.5179 -21.1784 -0.328196 GPRESSAVG: 3720000 14.9691 1.31884 -62.296 -0.18621 -49.7867 -21.2765 -63.8635 -19.76 -0.561149 TIMING: 3720000 CPU: 11621.1, 0.00309216/step Wall: 11621.1, 0.00309216/step, 1.09943 hours remaining, 234.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3720000 4143.7070 20672.4785 14486.6048 241.6485 -203262.2272 2600.5460 0.0000 0.0000 52060.1607 -109057.0817 299.1905 -161117.2424 -108693.3534 299.6005 -41.5126 -17.4094 762902.3374 -11.6257 -11.7929 PRESSURE: 3720200 -184.361 118.003 230.079 118.002 -225.058 20.0145 230.08 20.0138 271.768 GPRESSURE: 3720200 -197.043 49.2412 274.222 126.328 -130.163 94.1128 94.445 -59.7034 256.922 PRESSAVG: 3720200 -27.8795 8.84349 -6.09964 8.84348 40.8115 -5.67842 -6.09969 -5.67841 -17.4057 GPRESSAVG: 3720200 -26.1146 9.44755 -4.94113 7.90149 39.2326 -3.71959 -4.3747 -7.66856 -17.3992 TIMING: 3720200 CPU: 11621.8, 0.00308509/step Wall: 11621.8, 0.00308509/step, 1.09675 hours remaining, 234.886719 MB of memory in use. ENERGY: 3720200 3921.7054 20615.2530 14509.2843 262.6579 -203466.9923 2812.8584 0.0000 0.0000 52265.7619 -109079.4715 300.3721 -161345.2334 -108711.4565 299.8421 -45.8839 -23.4283 763968.8259 -1.4912 -1.4270 LDB: ============= START OF LOAD BALANCING ============== 11634.2 LDB: ============== END OF LOAD BALANCING =============== 11634.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11634.2 LDB: ============= START OF LOAD BALANCING ============== 11634.5 LDB: Largest compute 7063 load 0.028870 is 14.8% of average load 0.195342 LDB: Average compute 0.004392 is 2.2% of average load 0.195342 LDB: TIME 11634.5 LOAD: AVG 0.195342 MAX 0.216765 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.176 MB LDB: TIME 11634.5 LOAD: AVG 0.195342 MAX 0.216765 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.18 MB LDB: TIME 11634.5 LOAD: AVG 0.195342 MAX 0.216765 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.18 MB LDB: ============== END OF LOAD BALANCING =============== 11634.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11634.6 PRESSURE: 3720400 -193.863 96.7525 100.7 96.7525 104.352 -184.739 100.7 -184.739 311.591 GPRESSURE: 3720400 -174.328 74.3517 136.765 142.125 127.86 -187.699 94.9379 -108.232 325.636 PRESSAVG: 3720400 -55.3356 -5.64177 26.1562 -5.64174 39.1286 -43.265 26.1562 -43.2649 13.2342 GPRESSAVG: 3720400 -56.2258 -8.55555 26.1241 -1.4757 39.1746 -44.4372 25.0835 -40.678 14.0551 TIMING: 3720400 CPU: 11622.4, 0.00314759/step Wall: 11622.4, 0.00314759/step, 1.11879 hours remaining, 234.886719 MB of memory in use. ENERGY: 3720400 4041.6424 20631.7109 14541.6482 246.1525 -203268.1779 2706.6720 0.0000 0.0000 52032.7694 -109067.5825 299.0330 -161100.3519 -108699.0334 299.4864 74.0267 93.0561 762454.9655 -0.9909 -0.9987 PRESSURE: 3720600 22.4932 152.45 17.9995 152.449 23.3114 24.5416 17.999 24.5414 212.325 GPRESSURE: 3720600 38.9089 126.967 44.3679 259.669 53.5007 -52.0734 99.0798 -29.3772 247.53 PRESSAVG: 3720600 -15.9525 -10.2596 -49.1343 -10.2597 0.91578 -55.2536 -49.1344 -55.2537 34.6401 GPRESSAVG: 3720600 -15.7447 -7.9555 -49.5898 -11.9167 0.398749 -56.1704 -48.3954 -56.3691 34.6272 TIMING: 3720600 CPU: 11623, 0.00309117/step Wall: 11623, 0.00309117/step, 1.09857 hours remaining, 235.089844 MB of memory in use. ENERGY: 3720600 3855.8119 20586.6471 14464.8199 237.3797 -203338.4095 2739.0874 0.0000 0.0000 52131.4817 -109323.1817 299.6003 -161454.6634 -108941.7899 299.6587 86.0433 113.3133 762066.5797 6.5344 6.4271 PRESSURE: 3720800 322.585 107.119 -147.076 107.118 101.657 103.847 -147.076 103.848 -19.9419 GPRESSURE: 3720800 271.456 74.8839 -245.047 14.5102 99.6751 50.7349 -16.56 76.2843 103.192 PRESSAVG: 3720800 30.958 -11.9224 9.45344 -11.9224 -19.5315 -7.80191 9.45335 -7.80192 -4.17497 GPRESSAVG: 3720800 29.437 -13.8381 10.3429 -12.7985 -18.6682 -5.24915 10.6694 -7.94894 -4.28756 TIMING: 3720800 CPU: 11623.6, 0.00310855/step Wall: 11623.6, 0.00310855/step, 1.10457 hours remaining, 235.089844 MB of memory in use. ENERGY: 3720800 3996.9043 20666.9679 14505.6609 237.5954 -203459.0730 2932.1110 0.0000 0.0000 52034.7255 -109085.1081 299.0443 -161119.8336 -108724.1560 299.3158 134.7668 158.1077 763082.3180 2.4172 2.1604 PRESSURE: 3721000 86.4018 193.535 -134.722 193.535 13.7992 -128.523 -134.721 -128.523 -101.05 GPRESSURE: 3721000 197.185 278.114 -95.5531 152.525 -60.7182 -133.487 88.1791 -20.1856 -47.414 PRESSAVG: 3721000 22.3935 -20.5107 9.61812 -20.5107 -30.8861 -12.231 9.61812 -12.231 2.30742 GPRESSAVG: 3721000 25.3943 -17.3283 8.38848 -20.2432 -32.4257 -12.6385 7.67536 -13.6956 0.904714 TIMING: 3721000 CPU: 11624.3, 0.00312249/step Wall: 11624.3, 0.00312249/step, 1.10935 hours remaining, 235.089844 MB of memory in use. ENERGY: 3721000 3988.8996 20549.5662 14508.3645 242.2103 -203128.4332 2466.3265 0.0000 0.0000 52364.4264 -109008.6396 300.9391 -161373.0660 -108639.3792 299.7226 -0.2830 29.6842 762911.2143 -2.0617 -2.0422 PRESSURE: 3721200 52.5298 -241.807 171.157 -241.806 123.524 -151.837 171.157 -151.838 -13.6157 GPRESSURE: 3721200 -12.1691 -321.76 257.755 -227.346 225.643 -180.661 59.5373 -94.2079 42.9403 PRESSAVG: 3721200 -2.36211 -23.582 -23.1909 -23.582 38.7169 -8.68064 -23.1909 -8.6807 23.8417 GPRESSAVG: 3721200 -4.22861 -26.3499 -22.6989 -22.7358 39.5627 -8.45936 -21.7174 -7.54634 24.9074 TIMING: 3721200 CPU: 11624.9, 0.00309776/step Wall: 11624.9, 0.00309775/step, 1.10039 hours remaining, 235.089844 MB of memory in use. ENERGY: 3721200 3943.6460 20764.8726 14428.6631 241.4496 -203335.3977 2686.9957 0.0000 0.0000 52368.8618 -108900.9091 300.9646 -161269.7709 -108526.6224 300.5006 54.1459 85.4716 763166.7967 20.0655 20.0805 PRESSURE: 3721400 -217.178 -235.224 208.999 -235.224 92.7985 194.348 208.999 194.349 -89.8345 GPRESSURE: 3721400 -119.313 -164.813 -16.9347 -218.875 73.7576 167.437 197.311 165.263 -69.7408 PRESSAVG: 3721400 -8.42603 -45.0931 9.20608 -45.0931 -10.887 -81.4956 9.20608 -81.4957 7.07288 GPRESSAVG: 3721400 -7.76991 -43.6187 9.81529 -43.9612 -10.6732 -83.3112 6.24057 -81.1222 6.60304 TIMING: 3721400 CPU: 11625.5, 0.00311934/step Wall: 11625.5, 0.00311934/step, 1.10789 hours remaining, 235.089844 MB of memory in use. ENERGY: 3721400 3977.1882 20764.3466 14429.3301 272.5316 -203289.4069 2737.4132 0.0000 0.0000 52201.1194 -108907.4778 300.0006 -161108.5973 -108550.1944 300.1709 -71.4046 -38.4319 762519.8529 -4.0801 -3.9467 PRESSURE: 3721600 360.854 93.7647 242.212 93.7645 79.093 -116.179 242.213 -116.179 -42.7324 GPRESSURE: 3721600 369.979 75.8596 253.867 52.5402 93.3844 -145.942 115.349 -74.518 8.17952 PRESSAVG: 3721600 80.8197 -34.6534 44.6254 -34.6535 -55.3746 39.1929 44.6255 39.193 -16.9437 GPRESSAVG: 3721600 81.8901 -35.8252 43.7379 -36.5895 -55.6473 39.6056 44.2021 36.8644 -16.9541 TIMING: 3721600 CPU: 11626.1, 0.00311727/step Wall: 11626.1, 0.00311727/step, 1.10698 hours remaining, 235.089844 MB of memory in use. ENERGY: 3721600 3956.9001 20696.7523 14476.9071 248.8187 -203265.5570 2818.2697 0.0000 0.0000 52100.7381 -108967.1711 299.4237 -161067.9092 -108589.8352 300.7353 132.4048 157.1809 760951.6509 2.8338 3.0962 PRESSURE: 3721800 -589.043 100.096 -60.9496 100.097 -126.457 196.245 -60.9496 196.245 69.1034 GPRESSURE: 3721800 -521.427 -48.7241 -37.5415 46.7407 -69.2596 168.695 -36.8393 152.421 25.1714 PRESSAVG: 3721800 5.89253 -11.553 29.5412 -11.553 31.926 2.54142 29.5412 2.54138 22.0109 GPRESSAVG: 3721800 5.28243 -12.0857 30.1972 -9.92696 32.5978 3.10104 29.6449 4.08768 22.6759 TIMING: 3721800 CPU: 11626.7, 0.00311308/step Wall: 11626.7, 0.00311308/step, 1.10532 hours remaining, 235.089844 MB of memory in use. ENERGY: 3721800 4006.8078 20687.8313 14466.3691 247.1659 -202936.9702 2533.9369 0.0000 0.0000 52169.1277 -108825.7315 299.8167 -160994.8593 -108458.3657 300.5476 -215.4655 -188.5050 763233.2001 19.9431 20.1854 PRESSURE: 3722000 12.1651 80.0886 134.546 80.0884 252.228 -119.314 134.547 -119.314 -220.654 GPRESSURE: 3722000 21.3366 115.711 153.139 -28.6785 224.921 -75.0336 108.9 -55.4239 -107.258 PRESSAVG: 3722000 -32.2077 20.4925 17.9673 20.4925 6.84149 -19.7203 17.9672 -19.7204 -6.61032 GPRESSAVG: 3722000 -31.2055 22.094 16.3147 18.9867 6.5204 -20.079 18.8424 -19.4863 -7.14395 TIMING: 3722000 CPU: 11627.4, 0.0030964/step Wall: 11627.4, 0.0030964/step, 1.09922 hours remaining, 235.089844 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: 3722000 3982.6896 20604.0003 14436.9806 248.7120 -203655.2157 3195.2655 0.0000 0.0000 52288.1297 -108899.4380 300.5006 -161187.5677 -108529.6620 299.9772 14.5798 46.3331 763323.7460 -10.6588 -10.6097 PRESSURE: 3722200 55.2562 58.8683 154.655 58.868 66.6394 3.78529 154.655 3.78565 -114.769 GPRESSURE: 3722200 184.608 41.9994 151.877 55.1208 95.6344 -110.001 114.19 -79.9192 -179.798 PRESSAVG: 3722200 -39.6834 17.2593 27.8848 17.2594 21.8214 -15.8355 27.8848 -15.8354 12.6419 GPRESSAVG: 3722200 -40.326 16.183 28.4706 17.6809 22.8714 -16.0662 29.1121 -16.8565 12.4304 TIMING: 3722200 CPU: 11628, 0.00310425/step Wall: 11628, 0.00310425/step, 1.10183 hours remaining, 235.089844 MB of memory in use. ENERGY: 3722200 3967.3081 20589.3620 14504.1372 251.7685 -203276.1168 2782.4006 0.0000 0.0000 52068.8603 -109112.2802 299.2405 -161181.1405 -108748.4223 300.1071 2.3754 33.4815 763263.7139 -1.7400 -1.6747 PRESSURE: 3722400 110.005 12.4706 19.9421 12.4707 -47.2345 -66.8801 19.9434 -66.8791 22.4752 GPRESSURE: 3722400 104.776 -27.1906 34.75 -96.043 -14.8817 -42.3778 69.6654 -55.5698 94.3212 PRESSAVG: 3722400 15.9317 -27.7138 -11.2697 -27.7138 -10.1286 -1.55881 -11.2698 -1.55881 -7.14582 GPRESSAVG: 3722400 16.8545 -27.7718 -12.4115 -28.3747 -11.9209 -1.29613 -11.7082 -1.35894 -6.97214 TIMING: 3722400 CPU: 11628.6, 0.00308906/step Wall: 11628.6, 0.00308906/step, 1.09627 hours remaining, 235.089844 MB of memory in use. ENERGY: 3722400 4018.8042 20769.6982 14479.3825 231.9818 -203252.8401 2628.8619 0.0000 0.0000 52126.7644 -108997.3471 299.5732 -161124.1115 -108649.5133 300.0199 28.4152 61.4053 761774.3860 -0.4476 -0.6795 PRESSURE: 3722600 5.35461 -99.4389 200.952 -99.4386 -52.0706 106.304 200.952 106.304 23.4289 GPRESSURE: 3722600 -3.46527 60.7224 188.127 -30.1791 -19.0483 42.8437 153.108 15.3612 61.7314 PRESSAVG: 3722600 -62.974 -34.3644 -0.583382 -34.3644 -6.28262 -18.4267 -0.583328 -18.4266 10.3918 GPRESSAVG: 3722600 -63.4961 -33.6155 2.51976 -34.1582 -4.78996 -19.5897 -0.592708 -17.8203 9.43277 TIMING: 3722600 CPU: 11629.2, 0.00311247/step Wall: 11629.2, 0.00311247/step, 1.10441 hours remaining, 235.089844 MB of memory in use. ENERGY: 3722600 3982.5680 20552.4850 14487.1777 260.3687 -203543.1883 2822.0181 0.0000 0.0000 52311.6708 -109126.9000 300.6359 -161438.5708 -108759.4352 299.2852 -7.7623 13.0726 762162.8128 -19.6216 -19.6178 PRESSURE: 3722800 -344.275 -302.779 141.456 -302.78 -47.3572 75.3149 141.456 75.3154 -158.835 GPRESSURE: 3722800 -277.511 -335.042 168.037 -264.792 -56.9434 120.969 61.9818 84.5837 -152.218 PRESSAVG: 3722800 -26.0129 -32.4967 45.1434 -32.4966 39.0434 3.21654 45.1434 3.21648 14.3256 GPRESSAVG: 3722800 -25.2213 -33.7126 43.4691 -31.288 38.4693 3.61649 45.2747 2.1811 14.7736 TIMING: 3722800 CPU: 11629.8, 0.00310565/step Wall: 11629.8, 0.00310565/step, 1.10182 hours remaining, 235.089844 MB of memory in use. ENERGY: 3722800 4054.1402 20638.2740 14427.3474 263.1314 -203118.0918 2749.3780 0.0000 0.0000 52183.7173 -108802.1034 299.9005 -160985.8207 -108449.0554 299.8818 -183.4893 -162.2240 762956.9422 9.1187 9.3405 PRESSURE: 3723000 601.812 -152.101 12.0136 -152.101 143.609 -73.6604 12.0129 -73.6605 353.17 GPRESSURE: 3723000 599.968 -107.718 61.9032 -27.9177 296.821 -151.698 125.832 60.9815 297.396 PRESSAVG: 3723000 16.3931 -10.073 36.3158 -10.073 -60.6777 14.5516 36.3158 14.5516 8.14488 GPRESSAVG: 3723000 15.0669 -12.593 35.4475 -9.8959 -59.2298 13.7939 35.1532 14.7445 8.35243 TIMING: 3723000 CPU: 11630.5, 0.00309361/step Wall: 11630.5, 0.00309361/step, 1.09737 hours remaining, 235.089844 MB of memory in use. ENERGY: 3723000 4006.8745 20610.4760 14465.4505 264.3870 -203155.8809 2909.7119 0.0000 0.0000 52005.2019 -108893.7791 298.8746 -160898.9809 -108524.9988 300.0153 366.1971 398.0616 762972.5462 -12.0466 -11.9368 PRESSURE: 3723200 -152.884 -5.32949 37.3132 -5.33006 -254.121 -105.477 37.3128 -105.478 186.52 GPRESSURE: 3723200 -139.845 -63.4709 80.9413 -82.914 -258.48 -107.85 -34.6221 -77.8603 250.857 PRESSAVG: 3723200 41.6745 27.7839 -0.456294 27.7839 -12.8059 -4.28376 -0.456382 -4.28369 -7.66336 GPRESSAVG: 3723200 41.7827 31.4246 -0.236981 28.4506 -13.3034 -2.28555 1.61167 -4.16198 -7.49905 TIMING: 3723200 CPU: 11631.1, 0.00310009/step Wall: 11631.1, 0.00310009/step, 1.0995 hours remaining, 235.089844 MB of memory in use. ENERGY: 3723200 3971.2205 20745.0022 14514.6904 230.4258 -202968.0487 2589.2054 0.0000 0.0000 51954.2870 -108963.2173 298.5820 -160917.5043 -108594.7812 299.9999 -73.4951 -49.1561 764780.3113 7.0684 6.9934 PRESSURE: 3723400 -43.3087 -58.1522 -122.8 -58.1521 0.257844 -43.0365 -122.799 -43.0346 483.029 GPRESSURE: 3723400 45.9928 -25.2113 -204.391 -174.155 72.2238 -2.21798 -24.3703 -163.815 413.67 PRESSAVG: 3723400 6.8094 47.2281 -4.7294 47.2281 -31.085 -14.4531 -4.72946 -14.4531 13.2305 GPRESSAVG: 3723400 6.90356 46.4249 -5.55116 45.0928 -30.3639 -15.3653 -4.14572 -12.9013 12.3008 TIMING: 3723400 CPU: 11631.7, 0.00309392/step Wall: 11631.7, 0.00309392/step, 1.09714 hours remaining, 235.089844 MB of memory in use. ENERGY: 3723400 3985.9706 20659.0838 14521.4758 245.4140 -203479.5259 3015.3811 0.0000 0.0000 52031.1759 -109021.0248 299.0239 -161052.2007 -108660.2973 299.3304 146.6594 177.2954 762160.8121 -3.6817 -3.7198 PRESSURE: 3723600 -212.812 122.832 45.3054 122.832 45.1757 -30.7389 45.3052 -30.7384 -102.965 GPRESSURE: 3723600 -177.519 -40.6512 54.9538 28.0653 35.9803 51.4548 -43.1577 3.67166 -50.0389 PRESSAVG: 3723600 -31.8149 9.5513 -36.9312 9.55126 24.8301 -26.4508 -36.9312 -26.4508 14.5555 GPRESSAVG: 3723600 -31.2806 8.39257 -37.2122 10.9253 23.7813 -25.6687 -37.8925 -28.2514 14.7029 TIMING: 3723600 CPU: 11632.3, 0.00312906/step Wall: 11632.3, 0.00312906/step, 1.10943 hours remaining, 235.089844 MB of memory in use. ENERGY: 3723600 4029.3255 20572.8261 14498.1218 247.6975 -202707.9990 2475.2213 0.0000 0.0000 52142.9697 -108741.8371 299.6664 -160884.8068 -108373.2691 299.7402 -90.2007 -63.8592 764018.9563 2.5236 2.4012 PRESSURE: 3723800 -334.844 135.443 -8.16374 135.443 120.117 8.45018 -8.16454 8.45015 -144.506 GPRESSURE: 3723800 -396.983 168.84 -31.4715 160.052 181.445 -4.3157 -9.58617 121.743 -77.2367 PRESSAVG: 3723800 -40.8529 15.1784 16.1729 15.1785 60.4905 -77.328 16.1729 -77.3281 8.83358 GPRESSAVG: 3723800 -41.8112 16.9005 17.7201 13.8409 59.273 -77.8499 16.158 -74.6284 10.836 TIMING: 3723800 CPU: 11632.9, 0.00311366/step Wall: 11632.9, 0.00311366/step, 1.10379 hours remaining, 235.089844 MB of memory in use. ENERGY: 3723800 3999.3589 20624.0579 14455.9356 249.4471 -203083.1090 2535.8337 0.0000 0.0000 52431.4115 -108787.0644 301.3240 -161218.4759 -108425.5755 299.9193 -119.7446 -97.5916 761882.2050 9.4904 9.4326 PRESSURE: 3724000 -623.818 -162.056 145.495 -162.055 -159.087 29.6662 145.495 29.6663 -424.929 GPRESSURE: 3724000 -575.434 -86.0374 202.737 -142.219 -142.299 -35.7811 153.448 91.0764 -421.397 PRESSAVG: 3724000 7.63089 -16.6105 8.76463 -16.6105 6.29285 13.9349 8.76464 13.9349 2.03358 GPRESSAVG: 3724000 7.70806 -16.6342 8.86753 -15.0443 7.98802 12.9019 7.91081 11.7024 0.113119 TIMING: 3724000 CPU: 11633.6, 0.0030943/step Wall: 11633.6, 0.0030943/step, 1.09676 hours remaining, 235.089844 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: 3724000 4109.5642 20487.2476 14443.9502 245.8815 -202727.8403 2247.8516 0.0000 0.0000 52398.5681 -108794.7770 301.1353 -161193.3451 -108421.7538 300.3124 -402.6112 -379.7100 763559.1601 5.3191 5.2697 PRESSURE: 3724200 -127.764 10.9806 149.504 10.9802 -120.237 147.61 149.503 147.61 323.276 GPRESSURE: 3724200 -27.3854 -18.3873 99.3267 40.4852 -110.765 123.546 76.4738 125.94 292.601 PRESSAVG: 3724200 -12.3663 -19.9427 -26.4046 -19.9427 -20.0704 26.2286 -26.4046 26.2287 -4.61296 GPRESSAVG: 3724200 -11.554 -20.4803 -26.142 -19.8059 -20.3839 26.7192 -25.0365 25.0117 -4.84813 TIMING: 3724200 CPU: 11634.2, 0.00310175/step Wall: 11634.2, 0.00310174/step, 1.09922 hours remaining, 235.089844 MB of memory in use. ENERGY: 3724200 4080.5939 20550.6947 14458.0855 244.6705 -202887.9648 2504.4249 0.0000 0.0000 52351.4448 -108698.0505 300.8645 -161049.4953 -108328.0036 300.4193 25.0918 51.4833 764060.8768 -12.3499 -12.2620 LDB: ============= START OF LOAD BALANCING ============== 11646.7 LDB: ============== END OF LOAD BALANCING =============== 11646.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11646.7 LDB: ============= START OF LOAD BALANCING ============== 11647 LDB: Largest compute 7049 load 0.029692 is 15.2% of average load 0.195273 LDB: Average compute 0.004402 is 2.3% of average load 0.195273 LDB: TIME 11647 LOAD: AVG 0.195273 MAX 0.215648 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.305 MB LDB: TIME 11647 LOAD: AVG 0.195273 MAX 0.215648 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.375 MB LDB: TIME 11647 LOAD: AVG 0.195273 MAX 0.215648 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.375 MB LDB: ============== END OF LOAD BALANCING =============== 11647 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11647 PRESSURE: 3724400 -8.20469 34.783 140.505 34.7832 68.8441 -43.7732 140.506 -43.7719 43.737 GPRESSURE: 3724400 3.76445 160.799 117.544 -4.69653 96.1116 -120.212 190.908 75.1429 72.6621 PRESSAVG: 3724400 -55.4523 17.5183 59.9468 17.5183 44.5269 -16.9158 59.9468 -16.9158 2.35404 GPRESSAVG: 3724400 -55.4003 17.4328 60.0377 15.9092 43.112 -15.9805 58.9038 -15.6676 3.86148 TIMING: 3724400 CPU: 11634.8, 0.00317835/step Wall: 11634.8, 0.00317835/step, 1.12619 hours remaining, 233.332031 MB of memory in use. ENERGY: 3724400 3907.9491 20805.2608 14481.1720 261.8506 -203103.0044 2597.7766 0.0000 0.0000 52203.2571 -108845.7383 300.0128 -161048.9953 -108478.2954 300.5424 34.7921 57.5127 765337.7860 -2.8571 -2.8090 PRESSURE: 3724600 -114.818 -140.102 1.64224 -140.101 95.8575 -141.255 1.64232 -141.254 -116.586 GPRESSURE: 3724600 -124.195 -144.879 -30.1521 -83.0291 37.9589 -126.407 105.594 -244.866 15.6113 PRESSAVG: 3724600 -15.7557 16.4939 14.9462 16.494 29.2999 -34.4007 14.9462 -34.4007 14.3244 GPRESSAVG: 3724600 -15.7195 17.568 13.3578 16.1 29.2527 -35.1365 15.6 -33.2574 14.017 TIMING: 3724600 CPU: 11635.4, 0.00312019/step Wall: 11635.4, 0.00312019/step, 1.10541 hours remaining, 233.332031 MB of memory in use. ENERGY: 3724600 4009.1203 20654.1938 14403.7751 233.1725 -203310.4000 2865.4279 0.0000 0.0000 52235.4152 -108909.2953 300.1976 -161144.7105 -108551.5144 299.9640 -45.1823 -23.5414 763945.6238 9.2895 9.1834 PRESSURE: 3724800 71.6262 -62.0213 82.3839 -62.0226 271.969 -121.283 82.3844 -121.285 183.308 GPRESSURE: 3724800 70.1387 -47.8384 68.93 -99.7779 270.595 -283.793 -9.43881 4.27718 274.212 PRESSAVG: 3724800 22.178 0.800497 -9.92183 0.800498 32.9052 17.4111 -9.92181 17.4111 -6.65908 GPRESSAVG: 3724800 22.7991 1.03997 -10.0055 1.64452 33.4068 17.325 -10.2818 17.7675 -7.07362 TIMING: 3724800 CPU: 11636.1, 0.00311131/step Wall: 11636.1, 0.00311131/step, 1.10209 hours remaining, 233.332031 MB of memory in use. ENERGY: 3724800 3869.1383 20710.3567 14406.2769 264.9662 -203090.5912 2682.2992 0.0000 0.0000 52070.2152 -109087.3386 299.2482 -161157.5538 -108722.3295 299.4941 175.6344 204.9821 764872.9311 16.1414 16.3774 PRESSURE: 3725000 -230.057 279.145 -101.226 279.146 -233.242 64.5398 -101.225 64.5402 219.68 GPRESSURE: 3725000 -121.637 180.852 -158.285 288.631 -240.813 100.575 -122.299 111.48 217.254 PRESSAVG: 3725000 -3.43076 33.9936 -18.5617 33.9936 10.5442 -10.1253 -18.5617 -10.1254 -2.99573 GPRESSAVG: 3725000 -3.99073 31.7886 -17.3979 34.5818 11.9196 -8.37201 -22.1912 -12.1183 -3.34346 TIMING: 3725000 CPU: 11636.7, 0.0031242/step Wall: 11636.7, 0.0031242/step, 1.10649 hours remaining, 233.332031 MB of memory in use. ENERGY: 3725000 3964.0955 20581.0695 14467.1161 236.9706 -203048.6362 2699.9002 0.0000 0.0000 51948.5368 -109150.9475 298.5490 -161099.4843 -108784.8651 299.1591 -81.2061 -48.3987 766424.2470 1.3726 1.5285 PRESSURE: 3725200 13.8013 232.545 -61.2994 232.544 -212.988 48.8737 -61.2991 48.873 218.8 GPRESSURE: 3725200 13.5631 277.838 -37.2423 113.899 -75.5318 16.426 -37.9673 11.1933 166.902 PRESSAVG: 3725200 38.8851 8.41639 -27.6573 8.41633 -57.0324 -32.8243 -27.6573 -32.8243 0.621383 GPRESSAVG: 3725200 39.279 9.75468 -28.4337 6.68197 -58.0522 -35.0897 -23.2817 -32.5728 1.19607 TIMING: 3725200 CPU: 11637.3, 0.00311608/step Wall: 11637.3, 0.00311608/step, 1.10344 hours remaining, 233.332031 MB of memory in use. ENERGY: 3725200 3959.8939 20411.1092 14438.5288 239.5922 -203480.3733 2989.0475 0.0000 0.0000 52118.2540 -109323.9478 299.5243 -161442.2018 -108956.3130 299.4624 6.5378 34.9778 765814.0151 -5.8420 -5.8590 PRESSURE: 3725400 79.7783 80.4624 -56.8196 80.4629 201.144 159.708 -56.8193 159.708 -210.767 GPRESSURE: 3725400 125.813 85.5704 -82.7692 139.937 191.425 172.525 7.62888 116.307 -169.204 PRESSAVG: 3725400 11.7635 5.31101 -36.2114 5.31107 11.0817 4.87533 -36.2114 4.87532 -7.62894 GPRESSAVG: 3725400 11.1265 4.63156 -34.9262 7.47844 11.5333 5.35637 -35.2009 4.46545 -7.70468 TIMING: 3725400 CPU: 11637.9, 0.00314518/step Wall: 11637.9, 0.00314518/step, 1.11357 hours remaining, 233.332031 MB of memory in use. ENERGY: 3725400 3969.3094 20524.7651 14481.5224 242.0111 -203345.4157 2873.7052 0.0000 0.0000 52127.5470 -109126.5554 299.5777 -161254.1024 -108764.1539 299.3953 23.3849 49.3447 764287.4609 5.0721 4.9850 PRESSURE: 3725600 -17.8585 -187.008 -222.09 -187.008 199.144 -53.2874 -222.09 -53.2881 93.8051 GPRESSURE: 3725600 49.317 -96.5826 -134.298 -194.297 111.854 -25.672 -191.889 -43.0107 198.31 PRESSAVG: 3725600 -23.6367 42.8794 1.12982 42.8793 62.2947 -32.7629 1.12975 -32.7629 -5.15813 GPRESSAVG: 3725600 -23.7886 41.8784 -1.35127 43.1328 60.7138 -32.3572 1.3895 -30.5269 -4.03508 TIMING: 3725600 CPU: 11638.6, 0.00312074/step Wall: 11638.6, 0.00312074/step, 1.10474 hours remaining, 233.332031 MB of memory in use. ENERGY: 3725600 4038.0829 20687.4890 14401.5822 227.8743 -203293.2147 2825.3859 0.0000 0.0000 52112.7129 -109000.0876 299.4925 -161112.8005 -108650.4904 299.5275 91.6970 119.8268 762981.9338 11.1666 10.9633 PRESSURE: 3725800 181.065 56.028 -104.687 56.0278 180.087 -195.534 -104.686 -195.533 -264.894 GPRESSURE: 3725800 189.471 64.823 -91.2116 64.0547 206.995 -179.897 -25.594 -110.271 -221.207 PRESSAVG: 3725800 -32.1722 -41.964 -60.9307 -41.964 59.1334 -37.9709 -60.9307 -37.971 8.64388 GPRESSAVG: 3725800 -31.7711 -42.1201 -59.8308 -42.8517 60.3877 -36.6895 -61.9345 -39.8312 7.51872 TIMING: 3725800 CPU: 11639.2, 0.00313585/step Wall: 11639.2, 0.00313585/step, 1.10992 hours remaining, 233.332031 MB of memory in use. ENERGY: 3725800 3997.0927 20547.3615 14503.5602 267.7346 -203194.0415 2655.2087 0.0000 0.0000 52160.3898 -109062.6939 299.7665 -161223.0838 -108704.7548 299.5293 32.0861 58.4197 761613.9268 11.8684 12.0451 PRESSURE: 3726000 97.6235 81.8971 -317.928 81.8975 -90.299 359.766 -317.929 359.766 55.1203 GPRESSURE: 3726000 197.564 2.07282 -289.213 144.562 -101.577 338.254 -251.846 261.09 53.5946 PRESSAVG: 3726000 -44.5416 42.9811 -50.5796 42.9811 45.0752 5.44906 -50.5796 5.44898 3.74344 GPRESSAVG: 3726000 -45.2577 44.6343 -50.2677 43.7116 45.1473 4.88242 -50.0116 6.67226 4.42284 TIMING: 3726000 CPU: 11639.8, 0.00309582/step Wall: 11639.8, 0.00309582/step, 1.09558 hours remaining, 233.332031 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: 3726000 4034.3336 20676.3619 14500.2531 251.0542 -203558.3216 2929.2770 0.0000 0.0000 52045.4693 -109121.5726 299.1060 -161167.0419 -108760.7633 299.2537 20.8150 49.8606 761253.1643 1.4257 1.4375 PRESSURE: 3726200 -302.16 -203.707 -247.201 -203.707 -505.455 -23.3001 -247.202 -23.3001 -256.788 GPRESSURE: 3726200 -231.824 -162.235 -244.442 -49.8481 -519.066 -24.7282 -105.867 -184.001 -225.927 PRESSAVG: 3726200 -26.9635 -56.4677 16.0777 -56.4677 -31.2188 -20.3846 16.0777 -20.3847 18.4196 GPRESSAVG: 3726200 -26.5471 -56.492 15.8481 -58.4345 -31.1974 -19.6882 15.579 -23.3634 18.1441 TIMING: 3726200 CPU: 11640.4, 0.00311449/step Wall: 11640.4, 0.00311449/step, 1.10201 hours remaining, 233.332031 MB of memory in use. ENERGY: 3726200 3942.4152 20687.7456 14477.1960 253.2577 -202781.1514 2237.2068 0.0000 0.0000 51919.7330 -109263.5971 298.3834 -161183.3301 -108906.6047 299.8096 -354.8011 -325.6056 763775.9503 -13.2543 -13.2001 PRESSURE: 3726400 150.889 142.148 -2.68381 142.147 -24.6787 221.391 -2.68495 221.392 -191.074 GPRESSURE: 3726400 168.245 67.4508 -44.4037 138.989 62.7328 273.606 -33.0213 298.7 -194.757 PRESSAVG: 3726400 21.4646 -54.8551 -13.7467 -54.8551 -22.5225 -24.5563 -13.7468 -24.5562 -1.50623 GPRESSAVG: 3726400 21.1773 -54.3793 -14.2761 -54.341 -22.2756 -24.3927 -15.0051 -22.3717 -1.06389 TIMING: 3726400 CPU: 11641.1, 0.00309351/step Wall: 11641.1, 0.00309351/step, 1.09441 hours remaining, 233.332031 MB of memory in use. ENERGY: 3726400 3951.0845 20669.3472 14473.4925 246.7364 -203506.7290 3028.9558 0.0000 0.0000 51962.4953 -109174.6174 298.6292 -161137.1127 -108815.1428 299.2067 -21.6211 12.0736 761260.3459 -0.8547 -0.7207 PRESSURE: 3726600 -57.7565 28.5841 -45.876 28.5848 -235.236 -165.463 -45.8759 -165.464 119.375 GPRESSURE: 3726600 -12.3651 3.73614 25.2468 -49.5335 -241.21 -129.418 -27.7853 -104.217 176.102 PRESSAVG: 3726600 36.4582 -44.3383 -10.8087 -44.3383 -45.0561 6.98007 -10.8088 6.98008 13.2369 GPRESSAVG: 3726600 37.3376 -46.8988 -9.61542 -41.4425 -45.1673 4.75332 -10.3692 7.41566 12.2548 TIMING: 3726600 CPU: 11641.7, 0.00310106/step Wall: 11641.7, 0.00310106/step, 1.09692 hours remaining, 233.332031 MB of memory in use. ENERGY: 3726600 4039.0262 20662.1358 14547.6549 258.1189 -203162.0098 2619.4422 0.0000 0.0000 51886.1625 -109149.4692 298.1905 -161035.6317 -108789.7686 299.1317 -57.8726 -25.8244 763102.2436 1.5463 1.4750 PRESSURE: 3726800 -420.437 -162.805 23.6259 -162.805 -143.365 -214.459 23.6251 -214.46 -48.1544 GPRESSURE: 3726800 -292.53 -99.1205 29.9034 -79.6186 -83.8891 -230.431 31.1397 -212.558 -134.07 PRESSAVG: 3726800 -25.9801 -21.1811 15.7502 -21.1809 -6.29083 -77.6018 15.7502 -77.6018 16.7307 GPRESSAVG: 3726800 -26.3822 -18.2538 14.5295 -25.4443 -7.14209 -75.8241 15.6883 -78.2396 17.2639 TIMING: 3726800 CPU: 11642.3, 0.00311321/step Wall: 11642.3, 0.00311321/step, 1.10104 hours remaining, 233.332031 MB of memory in use. ENERGY: 3726800 4022.1930 20460.4693 14482.5767 246.0827 -202904.6937 2451.6676 0.0000 0.0000 52086.7609 -109154.9435 299.3433 -161241.7045 -108796.9187 299.2116 -203.9856 -170.1631 764453.5107 -5.1801 -5.4201 PRESSURE: 3727000 -136.22 -153.872 -105.727 -153.872 362.638 60.6482 -105.726 60.6474 -265.156 GPRESSURE: 3727000 -58.6302 -60.3703 -156.585 -128.16 280.52 72.2789 -128.638 17.9117 -201.564 PRESSAVG: 3727000 -15.3466 -35.6846 10.0948 -35.6846 46.0675 -25.806 10.0948 -25.8061 3.19292 GPRESSAVG: 3727000 -14.4076 -35.7394 11.0748 -33.8529 46.2982 -27.1242 10.0413 -25.2907 2.47242 TIMING: 3727000 CPU: 11642.9, 0.00309294/step Wall: 11642.9, 0.00309294/step, 1.0937 hours remaining, 233.332031 MB of memory in use. ENERGY: 3727000 3900.7867 20670.5837 14483.9187 246.1076 -203431.6968 2772.2956 0.0000 0.0000 51995.9829 -109362.0215 298.8216 -161358.0044 -108996.9000 299.0443 -12.9128 6.7755 764049.7707 11.3046 11.4543 PRESSURE: 3727200 -388.192 -129.376 116.842 -129.376 -437.108 -138.893 116.843 -138.891 -142.53 GPRESSURE: 3727200 -307.948 -202.731 -21.6644 -137.612 -431.595 -115.773 62.2415 -47.3607 -139.513 PRESSAVG: 3727200 35.2439 -55.7256 -56.4062 -55.7255 -21.243 -12.6529 -56.4062 -12.6529 15.0318 GPRESSAVG: 3727200 33.6308 -54.6459 -56.1637 -58.1308 -20.0096 -11.5691 -57.3983 -12.1731 16.1311 TIMING: 3727200 CPU: 11643.5, 0.00310979/step Wall: 11643.5, 0.00310979/step, 1.09948 hours remaining, 233.332031 MB of memory in use. ENERGY: 3727200 4015.6738 20591.3896 14486.5423 249.1625 -202931.2303 2285.5297 0.0000 0.0000 51906.1526 -109396.7798 298.3054 -161302.9324 -109035.4734 298.6178 -322.6100 -293.0188 763016.7237 9.6776 9.9174 PRESSURE: 3727400 -135.108 -129.083 -127.93 -129.082 -42.5823 -269.003 -127.93 -269.004 -35.1515 GPRESSURE: 3727400 -151.986 -122.188 -95.9572 -102.059 63.1731 -301.524 -11.4309 -76.9354 -59.3991 PRESSAVG: 3727400 38.7364 -27.0194 -25.498 -27.0194 -51.1278 -32.0504 -25.498 -32.0505 -6.7617 GPRESSAVG: 3727400 38.585 -27.9505 -25.683 -24.247 -51.4349 -32.2892 -25.355 -30.8628 -6.74109 TIMING: 3727400 CPU: 11644.2, 0.00310458/step Wall: 11644.2, 0.00310458/step, 1.09747 hours remaining, 233.332031 MB of memory in use. ENERGY: 3727400 3910.9971 20657.2508 14470.6567 242.3255 -202960.6109 2457.5983 0.0000 0.0000 51895.0373 -109326.7452 298.2415 -161221.7825 -108967.9544 298.8459 -70.9472 -49.4040 762041.3260 -6.3844 -6.5303 PRESSURE: 3727600 -25.9337 -141.277 165.457 -141.278 -312.883 404.744 165.457 404.743 -80.2934 GPRESSURE: 3727600 39.4413 -96.7895 193.483 -125.312 -309.831 406.441 285.123 368.804 -54.286 PRESSAVG: 3727600 -11.4132 -7.03237 7.19742 -7.03244 95.7254 -36.0367 7.19743 -36.0366 12.3097 GPRESSAVG: 3727600 -9.68489 -6.63605 5.94653 -9.12879 94.3134 -34.8166 10.1754 -38.0671 11.7579 TIMING: 3727600 CPU: 11644.8, 0.00310952/step Wall: 11644.8, 0.00310952/step, 1.09904 hours remaining, 233.332031 MB of memory in use. ENERGY: 3727600 3960.7470 20498.7468 14502.8322 241.4959 -203265.9347 2735.7290 0.0000 0.0000 51728.7709 -109597.6129 297.2860 -161326.3838 -109227.7110 298.6461 -139.7035 -108.2253 761262.9724 32.2073 32.1288 PRESSURE: 3727800 -120.334 91.201 108.652 91.2005 -62.7514 146.117 108.651 146.117 -180.46 GPRESSURE: 3727800 -51.4624 188.415 209.255 -51.0652 -100.213 214.544 -79.1858 234.367 -125.281 PRESSAVG: 3727800 -32.7357 -17.5474 -13.0519 -17.5474 39.447 -48.2415 -13.0519 -48.2415 20.7784 GPRESSAVG: 3727800 -33.5839 -18.3833 -11.9422 -14.9184 40.7459 -48.7418 -12.1031 -48.3356 20.5477 TIMING: 3727800 CPU: 11645.4, 0.00309794/step Wall: 11645.4, 0.00309794/step, 1.09478 hours remaining, 233.332031 MB of memory in use. ENERGY: 3727800 3926.8267 20366.0533 14363.9386 242.4456 -203386.1735 2744.9747 0.0000 0.0000 52156.6800 -109585.2545 299.7452 -161741.9346 -109209.7855 298.5090 -121.1816 -92.3188 762501.8363 9.1632 9.2366 PRESSURE: 3728000 -256.549 115.128 58.9863 115.127 303.709 -204.45 58.9856 -204.449 -80.3962 GPRESSURE: 3728000 -49.3637 84.5262 159.167 125.598 296.163 -256.647 19.1829 -220.498 -165.589 PRESSAVG: 3728000 46.8571 22.2531 7.07662 22.2531 -3.80168 -22.0867 7.07658 -22.0867 8.72458 GPRESSAVG: 3728000 47.1824 22.7566 6.64446 21.2518 -4.34284 -21.6192 3.3869 -21.7607 9.25161 TIMING: 3728000 CPU: 11646, 0.00310231/step Wall: 11646, 0.00310231/step, 1.09615 hours remaining, 233.332031 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: 3728000 3939.5232 20453.1922 14481.4386 252.6955 -203456.5752 2805.7417 0.0000 0.0000 52060.6964 -109463.2876 299.1935 -161523.9839 -109109.3673 298.6027 -11.0787 27.0700 761910.7605 17.2600 17.3637 PRESSURE: 3728200 -148.055 74.9745 -26.108 74.9751 -444.816 -87.5367 -26.108 -87.5362 -398.499 GPRESSURE: 3728200 -203.961 123.439 60.3514 91.7064 -359.843 -39.6753 -70.8901 -107.726 -338.963 PRESSAVG: 3728200 -6.90054 -40.1317 -58.7708 -40.1317 -12.9691 -35.5761 -58.7708 -35.576 -14.7011 GPRESSAVG: 3728200 -7.23972 -40.506 -57.9847 -38.4915 -12.8208 -38.1663 -59.3706 -32.5256 -14.3577 TIMING: 3728200 CPU: 11646.7, 0.00312533/step Wall: 11646.7, 0.00312533/step, 1.10411 hours remaining, 233.332031 MB of memory in use. ENERGY: 3728200 4047.2317 20537.7741 14430.4723 239.0612 -203522.2136 2920.9388 0.0000 0.0000 51765.4419 -109581.2935 297.4967 -161346.7355 -109220.5248 298.5499 -330.4566 -300.9224 764173.7679 -11.5236 -11.4727 LDB: ============= START OF LOAD BALANCING ============== 11659.1 LDB: ============== END OF LOAD BALANCING =============== 11659.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11659.1 LDB: ============= START OF LOAD BALANCING ============== 11659.4 LDB: Largest compute 6977 load 0.029082 is 14.9% of average load 0.195282 LDB: Average compute 0.004399 is 2.3% of average load 0.195282 LDB: TIME 11659.4 LOAD: AVG 0.195282 MAX 0.21283 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.594 MB LDB: TIME 11659.4 LOAD: AVG 0.195282 MAX 0.21283 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.594 MB LDB: TIME 11659.4 LOAD: AVG 0.195282 MAX 0.21283 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.594 MB LDB: ============== END OF LOAD BALANCING =============== 11659.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11659.5 PRESSURE: 3728400 82.0007 52.6798 120.381 52.6791 288.332 -13.3169 120.38 -13.3156 -77.1153 GPRESSURE: 3728400 91.1542 39.5718 101.3 -29.9936 293.962 32.0369 186.741 -54.3816 10.0929 PRESSAVG: 3728400 -6.35175 -33.1527 -11.9842 -33.1526 -3.8769 -9.25107 -11.9841 -9.25109 11.7257 GPRESSAVG: 3728400 -5.86286 -34.4511 -13.7042 -35.1274 -3.79894 -7.00571 -7.78237 -11.8146 11.3818 TIMING: 3728400 CPU: 11647.3, 0.00318778/step Wall: 11647.3, 0.00318778/step, 1.12599 hours remaining, 233.546875 MB of memory in use. ENERGY: 3728400 3928.1225 20474.3055 14467.3554 243.4432 -203567.0391 2910.1185 0.0000 0.0000 51938.6062 -109605.0878 298.4919 -161543.6940 -109235.1334 298.4755 97.7392 131.7365 762564.3454 0.4990 0.5733 PRESSURE: 3728600 -16.1672 -165.711 70.9517 -165.711 -60.7082 91.4337 70.9508 91.4327 -15.3053 GPRESSURE: 3728600 24.0607 -108.097 9.45138 -207.327 -71.0761 110.325 23.9111 154.809 41.1979 PRESSAVG: 3728600 19.7082 -6.56121 20.0213 -6.56122 6.01932 22.7488 20.0213 22.7487 -6.54261 GPRESSAVG: 3728600 19.5078 -7.73326 21.6075 -6.15778 6.14824 20.9832 15.7914 22.8497 -6.79459 TIMING: 3728600 CPU: 11647.9, 0.00311849/step Wall: 11647.9, 0.00311849/step, 1.10135 hours remaining, 233.546875 MB of memory in use. ENERGY: 3728600 3987.8324 20530.8349 14456.4223 247.9702 -203688.8024 2876.0432 0.0000 0.0000 51898.4732 -109691.2261 298.2612 -161589.6993 -109332.0687 298.6586 -30.7269 -1.9392 762244.1278 6.3950 6.2872 PRESSURE: 3728800 236.683 -59.677 129.832 -59.6775 -41.2856 -52.0531 129.832 -52.0543 240.667 GPRESSURE: 3728800 322.394 -123.147 150.66 -75.843 24.5995 -7.2568 93.6924 -96.5901 199.765 PRESSAVG: 3728800 25.2565 -42.3393 -3.90022 -42.3393 -42.7444 39.7914 -3.90024 39.7915 -8.72895 GPRESSAVG: 3728800 24.861 -41.0561 -4.74579 -43.0949 -42.7864 40.1897 -2.50367 39.9706 -8.47569 TIMING: 3728800 CPU: 11648.5, 0.00309596/step Wall: 11648.5, 0.00309596/step, 1.09322 hours remaining, 233.546875 MB of memory in use. ENERGY: 3728800 3950.1338 20542.6245 14471.0937 277.4285 -203713.5890 3091.0290 0.0000 0.0000 51776.8796 -109604.4001 297.5624 -161381.2797 -109255.1836 297.7715 145.3549 182.2528 760976.4878 -8.7389 -8.8004 PRESSURE: 3729000 161.128 16.8519 27.5471 16.8515 104.123 -129.062 27.5462 -129.062 152.982 GPRESSURE: 3729000 184.813 94.3573 25.0423 23.6692 139.009 -175.607 -66.1614 -60.8711 192.507 PRESSAVG: 3729000 -17.234 21.5486 40.7653 21.5486 -1.36273 -1.4257 40.7653 -1.42572 14.9516 GPRESSAVG: 3729000 -16.955 22.657 39.6697 20.9729 -1.58353 -1.68114 40.7823 -2.24988 15.37 TIMING: 3729000 CPU: 11649.2, 0.00310523/step Wall: 11649.2, 0.00310523/step, 1.09632 hours remaining, 233.546875 MB of memory in use. ENERGY: 3729000 4045.7995 20432.4148 14531.6105 241.2687 -203816.8524 2935.3173 0.0000 0.0000 52109.5002 -109520.9414 299.4740 -161630.4416 -109162.6957 298.5228 139.4109 172.1097 762339.1631 -1.2150 -1.0562 PRESSURE: 3729200 -313.296 18.651 -96.0689 18.6492 -184.164 81.1238 -96.0685 81.125 -318.752 GPRESSURE: 3729200 -237.941 -56.2511 -91.9732 155.498 -211.954 40.3945 -120.367 131.971 -295.036 PRESSAVG: 3729200 45.5632 -27.8503 -50.7565 -27.8503 -41.4772 57.1506 -50.7564 57.1505 9.14498 GPRESSAVG: 3729200 46.2338 -28.5927 -50.0574 -27.3654 -41.6247 58.5971 -49.7076 59.084 9.04059 TIMING: 3729200 CPU: 11649.8, 0.00311627/step Wall: 11649.8, 0.00311627/step, 1.10004 hours remaining, 233.546875 MB of memory in use. ENERGY: 3729200 3981.8873 20383.3692 14442.4677 248.5235 -203307.3276 2600.2651 0.0000 0.0000 51897.6562 -109753.1585 298.2565 -161650.8147 -109390.7427 298.2599 -272.0706 -248.3102 763726.5957 4.4103 4.5499 PRESSURE: 3729400 118.272 19.5845 -65.5392 19.5854 -231.334 -103.17 -65.539 -103.17 -433.006 GPRESSURE: 3729400 63.3176 58.899 -107.234 -58.98 -186.216 -92.0897 -107.442 -149.996 -367.55 PRESSAVG: 3729400 27.8288 0.789722 14.4597 0.789725 12.1466 49.7259 14.4597 49.7259 5.45066 GPRESSAVG: 3729400 26.9372 0.124853 15.166 1.65518 13.3754 49.5358 14.7701 48.0342 4.9446 TIMING: 3729400 CPU: 11650.4, 0.00313314/step Wall: 11650.4, 0.00313314/step, 1.10583 hours remaining, 233.546875 MB of memory in use. ENERGY: 3729400 3932.4044 20382.3529 14478.9189 240.5771 -203778.4770 2789.9801 0.0000 0.0000 52158.0545 -109796.1890 299.7531 -161954.2435 -109425.1251 297.9749 -182.0226 -163.4828 762949.6509 15.1420 15.0857 PRESSURE: 3729600 -250.545 103.628 90.7851 103.628 211.656 87.042 90.7837 87.0424 315.808 GPRESSURE: 3729600 -68.7508 42.3172 93.5075 168.127 190.783 76.5539 -70.6145 115.004 254.009 PRESSAVG: 3729600 21.5319 -20.1181 44.0179 -20.1181 -20.6689 22.743 44.0179 22.743 -1.41387 GPRESSAVG: 3729600 22.2299 -21.0701 41.9002 -18.8859 -21.7489 21.8864 43.0919 24.3292 -1.06703 TIMING: 3729600 CPU: 11651, 0.00313462/step Wall: 11651, 0.00313462/step, 1.10617 hours remaining, 233.546875 MB of memory in use. ENERGY: 3729600 4037.7156 20361.8331 14407.8651 263.4005 -203365.3948 2685.3766 0.0000 0.0000 51794.5262 -109814.6776 297.6639 -161609.2038 -109456.9966 297.7019 92.3066 125.3470 762750.5116 -0.1836 -0.1953 PRESSURE: 3729800 -136.908 23.2281 17.2122 23.2276 -19.1419 220.237 17.2111 220.236 87.1924 GPRESSURE: 3729800 -157.193 -40.334 38.8479 69.5887 -59.1395 275.775 -12.5801 209.097 255.236 PRESSAVG: 3729800 -33.8969 -3.26491 10.1528 -3.26491 -20.0956 -3.57096 10.1528 -3.57096 -6.90489 GPRESSAVG: 3729800 -34.062 -0.761753 10.4725 -3.81961 -19.5725 -4.35816 11.5538 -5.26934 -7.22381 TIMING: 3729800 CPU: 11651.7, 0.00310487/step Wall: 11651.7, 0.00310487/step, 1.0955 hours remaining, 233.546875 MB of memory in use. ENERGY: 3729800 3955.3135 20411.5965 14459.6654 223.2105 -203279.4926 2738.8236 0.0000 0.0000 51907.5848 -109583.2983 298.3136 -161490.8831 -109221.8990 297.8651 -22.9526 12.9679 764289.2534 -20.2991 -20.2861 PRESSURE: 3730000 153.494 -112.045 -129.114 -112.045 254.533 205.206 -129.114 205.207 304.836 GPRESSURE: 3730000 172.956 -104.016 -128.18 3.97065 312.072 211.023 -92.514 193.7 307.558 PRESSAVG: 3730000 40.2955 -14.7579 8.79797 -14.7578 -21.2137 9.42899 8.79801 9.42898 -16.5269 GPRESSAVG: 3730000 40.3224 -13.9778 7.85033 -14.6397 -21.8916 10.2967 7.01245 10.0822 -16.079 TIMING: 3730000 CPU: 11652.3, 0.00314445/step Wall: 11652.3, 0.00314445/step, 1.10929 hours remaining, 233.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3730000 4019.0958 20406.2358 14392.9157 238.9352 -203455.4891 2773.9279 0.0000 0.0000 52018.4259 -109605.9529 298.9506 -161624.3788 -109247.2298 298.4686 237.6209 264.1954 762082.8068 0.8516 0.7839 PRESSURE: 3730200 -211.267 147.469 274.728 147.469 -279.237 141.823 274.728 141.824 -66.5608 GPRESSURE: 3730200 -243.671 111.429 266.603 88.4664 -181.354 11.3511 268.425 59.2956 -49.6062 PRESSAVG: 3730200 -13.7011 23.559 -14.2829 23.559 52.1877 6.45638 -14.2829 6.45642 -3.19141 GPRESSAVG: 3730200 -14.531 22.0943 -10.58 23.0169 52.6724 6.00671 -15.9629 4.23963 -3.3101 TIMING: 3730200 CPU: 11652.9, 0.0031454/step Wall: 11652.9, 0.0031454/step, 1.10945 hours remaining, 233.546875 MB of memory in use. ENERGY: 3730200 3990.7758 20311.5560 14358.0596 252.9325 -203237.0021 2714.9129 0.0000 0.0000 51996.6720 -109612.0932 298.8256 -161608.7652 -109239.2309 298.6453 -185.6884 -158.2101 764244.1717 11.7651 11.6104 PRESSURE: 3730400 95.4021 -10.1045 -9.35125 -10.1049 -281.988 35.2958 -9.35141 35.2953 124.073 GPRESSURE: 3730400 37.2942 1.55031 -10.5661 4.2936 -209.337 14.099 76.3786 31.494 184.62 PRESSAVG: 3730400 -41.7762 -19.9824 -12.2761 -19.9824 -23.5134 -60.417 -12.276 -60.417 -15.3509 GPRESSAVG: 3730400 -41.9005 -18.1257 -15.0066 -21.9416 -22.1331 -60.4256 -10.5498 -58.1934 -16.0993 TIMING: 3730400 CPU: 11653.5, 0.00313244/step Wall: 11653.5, 0.00313244/step, 1.10471 hours remaining, 233.546875 MB of memory in use. ENERGY: 3730400 3999.4828 20543.4160 14404.3320 234.7725 -203626.1565 2793.2472 0.0000 0.0000 51874.6527 -109776.2533 298.1243 -161650.9060 -109421.4313 298.2971 -20.8378 4.1923 764370.5340 -26.8802 -26.7110 PRESSURE: 3730600 8.43359 -67.1147 -132.449 -67.1145 -149.568 -179.101 -132.449 -179.101 143.686 GPRESSURE: 3730600 -45.9912 -41.0808 -229.054 -40.7671 -40.401 -121.985 -47.1492 -158.316 149.123 PRESSAVG: 3730600 47.702 -21.3839 -1.05449 -21.3838 -2.43046 15.7596 -1.05445 15.7596 3.4769 GPRESSAVG: 3730600 47.7183 -22.5468 -0.857392 -21.5937 -3.03711 17.2384 -2.24939 17.6265 4.4566 TIMING: 3730600 CPU: 11654.2, 0.00311319/step Wall: 11654.2, 0.00311319/step, 1.09774 hours remaining, 233.546875 MB of memory in use. ENERGY: 3730600 4015.7768 20273.6248 14407.8059 242.1287 -203168.8551 2602.7685 0.0000 0.0000 51863.1296 -109763.6207 298.0581 -161626.7503 -109389.1668 298.4393 0.8507 20.9103 762950.1367 16.2495 16.3793 PRESSURE: 3730800 -464.56 -243.491 -31.5944 -243.492 -340.859 -89.9652 -31.5937 -89.9664 -177.491 GPRESSURE: 3730800 -291.29 -212.204 -20.9273 -259.216 -312.188 -92.7274 75.3082 -36.8647 -284.13 PRESSAVG: 3730800 18.7678 26.0932 30.8534 26.0933 -2.17522 0.732721 30.8535 0.73268 5.107 GPRESSAVG: 3730800 20.5105 25.3886 31.8799 26.179 -2.70647 1.0015 31.1148 -3.04385 4.03901 TIMING: 3730800 CPU: 11654.8, 0.00313988/step Wall: 11654.8, 0.00313988/step, 1.10698 hours remaining, 233.546875 MB of memory in use. ENERGY: 3730800 3925.4301 20494.4813 14457.3267 235.0065 -203190.2281 2603.9478 0.0000 0.0000 51550.1901 -109923.8457 296.2597 -161474.0358 -109561.3946 298.2063 -327.6366 -295.8693 763423.5899 7.2332 7.2810 PRESSURE: 3731000 -84.4725 20.007 159.127 20.0069 -187.648 208.136 159.127 208.136 -115.202 GPRESSURE: 3731000 1.1801 -97.4811 113.261 -27.2966 -180.331 208.548 56.6584 246.616 -119.129 PRESSAVG: 3731000 10.6558 -56.56 -21.5475 -56.5599 -40.4349 35.49 -21.5475 35.49 22.4927 GPRESSAVG: 3731000 11.0142 -56.3487 -21.1731 -54.941 -40.6592 33.8208 -21.407 38.3129 22.7969 TIMING: 3731000 CPU: 11655.4, 0.00312504/step Wall: 11655.4, 0.00312504/step, 1.10158 hours remaining, 233.546875 MB of memory in use. ENERGY: 3731000 3955.2393 20457.9487 14460.7934 242.0962 -203670.7283 2802.1046 0.0000 0.0000 51841.9855 -109910.5605 297.9366 -161752.5460 -109550.3599 297.6449 -129.1074 -99.4264 763530.9180 -2.4288 -2.2827 PRESSURE: 3731200 181.046 -79.4376 50.4332 -79.4367 -226.999 -61.0491 50.4326 -61.0487 323.597 GPRESSURE: 3731200 172.828 -90.5875 100.339 -105.815 -87.9664 -82.075 -37.5505 68.2293 282.975 PRESSAVG: 3731200 -32.1572 -43.8622 33.841 -43.8622 25.1859 27.8885 33.8411 27.8885 -5.91718 GPRESSAVG: 3731200 -33.1961 -44.9468 34.2675 -42.9776 25.7728 27.0013 32.9169 28.3576 -5.54319 TIMING: 3731200 CPU: 11656, 0.00310066/step Wall: 11656, 0.00310066/step, 1.09281 hours remaining, 233.546875 MB of memory in use. ENERGY: 3731200 3907.3740 20354.3799 14440.2200 259.2299 -204032.3716 3094.8416 0.0000 0.0000 52125.5905 -109850.7358 299.5665 -161976.3263 -109484.2495 297.9649 92.5478 122.6120 762772.5446 -4.2961 -4.3222 PRESSURE: 3731400 -205.262 61.2429 -92.9994 61.2428 -403.421 2.06227 -92.9997 2.06075 -88.4259 GPRESSURE: 3731400 -119.87 52.2701 -15.6015 -38.3935 -415.11 -6.90508 -69.5807 6.97019 -62.8885 PRESSAVG: 3731400 22.1388 -51.596 14.3843 -51.596 -23.4724 2.34566 14.3843 2.34564 19.5545 GPRESSAVG: 3731400 22.0042 -50.6929 13.8384 -52.5604 -23.6456 3.91752 16.1178 1.88038 19.5779 TIMING: 3731400 CPU: 11656.7, 0.00313326/step Wall: 11656.7, 0.00313326/step, 1.10413 hours remaining, 233.546875 MB of memory in use. ENERGY: 3731400 4004.7164 20471.6743 14371.2210 237.0006 -203450.1480 2735.8507 0.0000 0.0000 51773.4965 -109856.1884 297.5430 -161629.6849 -109498.7004 298.0351 -232.3696 -199.2894 764967.3562 6.0736 5.9788 PRESSURE: 3731600 -447.59 -110.228 -118.776 -110.229 -187.142 -220.628 -118.776 -220.628 106.547 GPRESSURE: 3731600 -345.877 -174.901 -102.219 -17.7054 -158.034 -223.662 -41.4522 -247.045 68.7376 PRESSAVG: 3731600 44.0549 -58.727 12.1333 -58.727 -43.7588 -67.6098 12.1333 -67.6098 -22.9468 GPRESSAVG: 3731600 44.13 -58.7502 12.1914 -58.3678 -43.6068 -69.3728 13.4337 -68.2743 -23.5891 TIMING: 3731600 CPU: 11657.3, 0.00313555/step Wall: 11657.3, 0.00313555/step, 1.10476 hours remaining, 233.546875 MB of memory in use. ENERGY: 3731600 3964.6900 20401.2026 14355.8809 263.0694 -203226.7000 2704.7540 0.0000 0.0000 51956.5644 -109580.5388 298.5951 -161537.1032 -109217.1352 298.5322 -176.0617 -145.0576 764040.1750 -7.5502 -7.6886 PRESSURE: 3731800 -58.3569 -95.2465 -247.593 -95.2465 158.963 -18.0207 -247.594 -18.0214 -566.042 GPRESSURE: 3731800 -21.871 96.0656 -263.89 64.3515 151.092 44.9695 -216.501 -64.3125 -534.325 PRESSAVG: 3731800 -25.5368 -29.8987 31.3382 -29.8987 64.1126 10.6108 31.3382 10.6108 7.79573 GPRESSAVG: 3731800 -25.2446 -30.7426 32.1069 -29.7535 64.3558 11.6918 28.3441 8.62553 7.34652 TIMING: 3731800 CPU: 11657.9, 0.00312941/step Wall: 11657.9, 0.00312941/step, 1.10242 hours remaining, 233.546875 MB of memory in use. ENERGY: 3731800 4009.2101 20547.3475 14462.4985 237.0636 -203300.4780 2607.7796 0.0000 0.0000 52281.5683 -109155.0104 300.4629 -161436.5787 -108787.5206 299.5162 -155.1452 -135.0345 763459.4239 15.4572 15.4859 PRESSURE: 3732000 4.38021 96.3889 220.083 96.3889 13.7638 65.0815 220.084 65.0831 0.823142 GPRESSURE: 3732000 -27.6128 -3.6191 78.622 132.088 164.843 69.0068 217.461 104.342 -33.4267 PRESSAVG: 3732000 -21.4897 -61.5126 4.17964 -61.5126 33.7121 35.2995 4.17966 35.2995 20.4164 GPRESSAVG: 3732000 -22.7612 -61.5644 2.09667 -59.82 33.3324 34.9527 4.78155 36.1877 21.8002 TIMING: 3732000 CPU: 11658.5, 0.00313052/step Wall: 11658.5, 0.00313052/step, 1.10264 hours remaining, 233.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3732000 3993.6348 20620.2708 14366.5885 253.7770 -203027.0897 2713.5778 0.0000 0.0000 52211.3851 -108867.8557 300.0595 -161079.2408 -108498.6127 300.6360 6.3224 34.6012 763342.5842 10.8796 10.7905 PRESSURE: 3732200 -121.417 -105.712 64.0617 -105.713 -81.6672 -187.394 64.0624 -187.395 -350.696 GPRESSURE: 3732200 14.7575 -153.625 118.742 -131.723 -136.035 -199.573 74.8853 -276.476 -341.324 PRESSAVG: 3732200 18.6549 -28.7761 -2.31418 -28.7762 -31.9271 -17.0387 -2.31411 -17.0387 -13.5295 GPRESSAVG: 3732200 21.0727 -27.3941 -3.03315 -31.1858 -33.2469 -18.8539 -1.23393 -16.1932 -14.7437 TIMING: 3732200 CPU: 11659.2, 0.00312664/step Wall: 11659.2, 0.00312664/step, 1.1011 hours remaining, 233.546875 MB of memory in use. ENERGY: 3732200 3969.3580 20699.7499 14471.6725 269.2669 -202572.5300 2362.8046 0.0000 0.0000 51911.7372 -108887.9409 298.3375 -160799.6781 -108526.1908 300.1966 -184.5933 -154.2007 764279.7130 -8.9339 -8.9726 LDB: ============= START OF LOAD BALANCING ============== 11671.6 LDB: ============== END OF LOAD BALANCING =============== 11671.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11671.6 LDB: ============= START OF LOAD BALANCING ============== 11672 LDB: Largest compute 7049 load 0.031182 is 16.0% of average load 0.195266 LDB: Average compute 0.004391 is 2.2% of average load 0.195266 LDB: TIME 11672 LOAD: AVG 0.195266 MAX 0.21459 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.828 MB LDB: TIME 11672 LOAD: AVG 0.195266 MAX 0.21459 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.828 MB LDB: TIME 11672 LOAD: AVG 0.195266 MAX 0.21459 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.828 MB LDB: ============== END OF LOAD BALANCING =============== 11672 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11672 PRESSURE: 3732400 -290.596 -146.264 -46.2887 -146.264 -332.325 135.728 -46.2891 135.728 9.44463 GPRESSURE: 3732400 -256.631 -42.6525 -53.5657 -113.431 -343.862 252.756 -102.683 109.912 80.1672 PRESSAVG: 3732400 -16.1015 -47.1294 2.57272 -47.1294 25.6269 -10.0436 2.57276 -10.0437 23.6778 GPRESSAVG: 3732400 -16.9389 -47.9121 4.71639 -46.4608 26.3103 -8.01291 1.1926 -8.72617 24.2221 TIMING: 3732400 CPU: 11659.8, 0.00320912/step Wall: 11659.8, 0.00320912/step, 1.12997 hours remaining, 234.261719 MB of memory in use. ENERGY: 3732400 4008.2367 20631.7584 14400.0286 271.7734 -202842.5074 2653.7088 0.0000 0.0000 52227.5991 -108649.4023 300.1527 -160877.0014 -108288.4402 300.2470 -204.4920 -173.4421 764127.6983 11.0678 11.1978 PRESSURE: 3732600 -32.0318 174.717 80.1471 174.717 -28.3176 104.094 80.1473 104.095 -5.386 GPRESSURE: 3732600 43.6339 128.1 140.859 193.554 20.9818 32.1299 34.1892 225.446 -63.6933 PRESSAVG: 3732600 -53.0176 -22.4262 3.57135 -22.4263 21.3618 -34.5388 3.57126 -34.5388 11.0298 GPRESSAVG: 3732600 -54.0525 -21.9808 3.10587 -26.0382 22.3588 -35.9127 3.69335 -36.2158 10.6837 TIMING: 3732600 CPU: 11660.4, 0.00314576/step Wall: 11660.4, 0.00314576/step, 1.10748 hours remaining, 234.261719 MB of memory in use. ENERGY: 3732600 3941.0609 20532.2453 14426.6859 238.2024 -202956.5520 2791.6823 0.0000 0.0000 52242.3242 -108784.3510 300.2374 -161026.6752 -108420.7407 299.9442 -21.9118 0.3075 764027.0689 -6.8753 -7.0033 PRESSURE: 3732800 175.994 92.023 209.422 92.0237 -103.294 39.4204 209.422 39.4198 -148.301 GPRESSURE: 3732800 160.119 161.02 147.727 77.8577 -39.4543 44.9847 232.221 109.71 -99.8899 PRESSAVG: 3732800 -5.63021 1.36797 25.6686 1.3679 22.2449 9.68814 25.6686 9.68821 9.46023 GPRESSAVG: 3732800 -5.11424 1.79612 26.943 5.13448 21.6356 12.3816 25.2103 9.80475 9.99508 TIMING: 3732800 CPU: 11661.1, 0.00315644/step Wall: 11661.1, 0.00315644/step, 1.11107 hours remaining, 234.261719 MB of memory in use. ENERGY: 3732800 3979.5570 20589.8391 14437.3251 258.2387 -202887.8978 2680.3344 0.0000 0.0000 52055.6811 -108886.9225 299.1647 -160942.6035 -108520.8919 300.2749 -25.2002 6.9250 764713.9987 8.6916 8.8388 PRESSURE: 3733000 -100.563 -104.247 18.4272 -104.247 -193.437 -49.1458 18.428 -49.1453 17.8883 GPRESSURE: 3733000 -51.7246 -238.721 -0.259366 -62.3372 -125.258 -93.2702 111.753 -43.4662 7.15406 PRESSAVG: 3733000 -31.9898 -18.9542 57.3519 -18.9542 26.5417 16.1223 57.3519 16.1223 -20.7633 GPRESSAVG: 3733000 -30.6654 -17.7857 58.0429 -20.4409 25.3534 13.82 58.1361 18.3555 -20.8217 TIMING: 3733000 CPU: 11661.7, 0.00314044/step Wall: 11661.7, 0.00314044/step, 1.10526 hours remaining, 234.261719 MB of memory in use. ENERGY: 3733000 4004.5379 20465.1120 14434.6635 219.2938 -202985.1790 2731.3109 0.0000 0.0000 52274.3508 -108855.9101 300.4214 -161130.2609 -108488.5948 300.0473 -92.0372 -56.6093 763811.3532 -8.7371 -8.7112 PRESSURE: 3733200 -168.189 20.7934 27.5805 20.7936 74.1345 75.7682 27.5807 75.7689 102.541 GPRESSURE: 3733200 -109.507 -23.4021 97.4278 94.3268 11.0093 -18.2649 -62.7335 65.5805 198.148 PRESSAVG: 3733200 -40.0817 -61.9901 33.8343 -61.9901 53.0967 5.31579 33.8344 5.31579 -9.53748 GPRESSAVG: 3733200 -41.0505 -62.765 32.2962 -63.027 53.8104 5.23936 32.7301 4.09696 -9.35379 TIMING: 3733200 CPU: 11662.3, 0.00311331/step Wall: 11662.3, 0.00311331/step, 1.09554 hours remaining, 234.261719 MB of memory in use. ENERGY: 3733200 3949.6761 20640.9580 14464.5162 232.5626 -202896.5465 2674.9040 0.0000 0.0000 52246.9361 -108686.9937 300.2639 -160933.9298 -108324.2793 300.4135 2.8287 33.2168 764013.2665 1.1592 1.1354 PRESSURE: 3733400 -138.765 -86.8107 89.7496 -86.8106 -8.90277 -40.2531 89.7505 -40.2533 166.833 GPRESSURE: 3733400 -70.5644 -176.146 81.1563 23.1683 -28.7534 16.7387 2.28216 -39.5576 190.611 PRESSAVG: 3733400 -12.5376 -52.7795 11.4631 -52.7795 26.5331 2.94663 11.4631 2.94667 12.156 GPRESSAVG: 3733400 -11.6099 -53.9473 11.1569 -51.0857 25.3051 3.13858 12.5274 3.19598 13.0959 TIMING: 3733400 CPU: 11662.9, 0.00314218/step Wall: 11662.9, 0.00314218/step, 1.10552 hours remaining, 234.261719 MB of memory in use. ENERGY: 3733400 4078.4153 20694.4853 14490.5659 251.4524 -203334.8088 2728.9186 0.0000 0.0000 52412.7403 -108678.2311 301.2167 -161090.9714 -108307.3008 300.5903 6.3882 30.4312 764849.4797 8.7172 8.9304 PRESSURE: 3733600 127.4 121.049 157.391 121.049 -108.557 96.5519 157.392 96.5523 248.032 GPRESSURE: 3733600 100.955 154.632 147.102 105.708 -9.39073 61.0234 142.311 180.793 234.916 PRESSAVG: 3733600 12.7816 -31.3684 40.0084 -31.3683 -3.9515 21.8504 40.0084 21.8503 4.81557 GPRESSAVG: 3733600 11.865 -30.2033 39.8714 -30.7031 -2.67352 23.2885 41.1344 20.6678 4.06357 TIMING: 3733600 CPU: 11663.6, 0.00313948/step Wall: 11663.6, 0.00313948/step, 1.1044 hours remaining, 234.261719 MB of memory in use. ENERGY: 3733600 4028.5953 20475.8397 14444.7283 242.9616 -203441.6007 3102.6356 0.0000 0.0000 52445.2655 -108701.5748 301.4037 -161146.8403 -108342.9648 300.8906 88.9583 108.8267 764541.9699 4.5486 4.4184 PRESSURE: 3733800 -51.8142 -168.621 113.711 -168.62 19.0812 43.8609 113.71 43.8615 324.355 GPRESSURE: 3733800 -14.6945 -177.461 127.331 -120.266 103.877 58.0466 134.742 -68.1697 283.36 PRESSAVG: 3733800 2.58985 14.5015 20.3149 14.5014 29.1704 63.415 20.3149 63.4149 -4.20898 GPRESSAVG: 3733800 3.32111 13.424 20.4474 13.4382 29.6795 62.0698 20.3598 62.9897 -4.92802 TIMING: 3733800 CPU: 11664.2, 0.00313995/step Wall: 11664.2, 0.00313995/step, 1.10439 hours remaining, 234.261719 MB of memory in use. ENERGY: 3733800 4047.8357 20741.6869 14409.3295 251.8278 -203207.8955 2684.1071 0.0000 0.0000 52394.8386 -108678.2699 301.1139 -161073.1085 -108311.4037 300.9281 97.2075 124.1808 764059.5925 9.1838 9.3575 PRESSURE: 3734000 282.012 -28.9899 21.8114 -28.989 -48.054 -1.43619 21.8117 -1.43557 575.349 GPRESSURE: 3734000 307.535 -66.0658 6.53351 1.56903 -8.00077 -54.9568 -18.0063 -27.389 580.751 PRESSAVG: 3734000 -5.85898 -2.34773 68.6901 -2.34769 34.9214 50.1859 68.6901 50.1859 20.8823 GPRESSAVG: 3734000 -6.62491 0.356948 68.7245 -2.39528 35.2554 49.6878 67.4129 50.1418 21.1446 TIMING: 3734000 CPU: 11664.8, 0.00314092/step Wall: 11664.8, 0.00314092/step, 1.10456 hours remaining, 234.261719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3734000 3974.8537 20681.4123 14370.9105 232.9880 -203192.7289 3015.1667 0.0000 0.0000 52028.9562 -108888.4413 299.0111 -160917.3975 -108526.1895 300.4965 269.7691 293.4282 763854.3129 16.6482 16.5917 PRESSURE: 3734200 -5.71457 -180.558 -177.689 -180.56 354.261 -15.8065 -177.689 -15.8069 139.022 GPRESSURE: 3734200 58.3583 -170.451 -163.576 -188.433 377.393 57.5073 -24.5767 -2.51913 148.816 PRESSAVG: 3734200 -22.0196 -29.6961 53.2483 -29.6961 -7.71757 17.7368 53.2484 17.7369 -3.00724 GPRESSAVG: 3734200 -22.8731 -31.6218 51.9348 -29.0129 -7.72022 18.3151 56.5668 17.1393 -2.70724 TIMING: 3734200 CPU: 11665.4, 0.00311404/step Wall: 11665.4, 0.00311404/step, 1.09493 hours remaining, 234.261719 MB of memory in use. ENERGY: 3734200 4001.7019 20527.8002 14425.1251 238.9368 -203776.6008 3147.2326 0.0000 0.0000 52359.6903 -109076.1139 300.9119 -161435.8042 -108709.1361 299.9529 162.5225 194.8556 764293.7253 -10.9148 -11.1002 PRESSURE: 3734400 59.3611 -161.522 -154.67 -161.521 -136.924 153.086 -154.67 153.086 -355.406 GPRESSURE: 3734400 101.651 -215.52 -17.482 -145.548 -96.6261 146.36 -158.039 24.8781 -368.133 PRESSAVG: 3734400 -10.8798 -4.78411 -36.3901 -4.78411 19.4227 -2.08153 -36.3901 -2.08146 -3.43575 GPRESSAVG: 3734400 -9.94643 -5.27871 -34.7831 -5.84396 18.6522 -2.33485 -38.9572 -2.01328 -3.76273 TIMING: 3734400 CPU: 11666.1, 0.00308478/step Wall: 11666.1, 0.00308478/step, 1.08447 hours remaining, 234.261719 MB of memory in use. ENERGY: 3734400 4088.5233 20483.1784 14410.7539 256.8531 -203266.8957 2877.7534 0.0000 0.0000 52024.9927 -109124.8409 298.9883 -161149.8336 -108764.7029 300.1854 -144.3227 -121.0358 764169.3469 1.7024 1.6477 PRESSURE: 3734600 -183.545 -142.004 -80.4838 -142.004 -110.976 -108.495 -80.4843 -108.495 282.32 GPRESSURE: 3734600 -48.0588 -87.0614 -102.047 -212.94 -169.032 -162.64 -112.745 17.3632 277.653 PRESSAVG: 3734600 -51.282 -7.74691 -21.5821 -7.74689 20.8735 17.2846 -21.5821 17.2846 -3.22909 GPRESSAVG: 3734600 -53.1543 -7.36332 -22.4458 -6.35055 22.089 15.8022 -20.2043 19.942 -2.16093 TIMING: 3734600 CPU: 11666.7, 0.00312761/step Wall: 11666.7, 0.00312761/step, 1.09935 hours remaining, 234.261719 MB of memory in use. ENERGY: 3734600 3993.7222 20670.2585 14378.2703 234.7077 -203207.0429 2698.4203 0.0000 0.0000 52195.3168 -109036.3472 299.9672 -161231.6640 -108671.9517 299.5423 -4.0674 20.1872 765059.1996 -11.2125 -11.0754 PRESSURE: 3734800 90.4284 -290.119 185.194 -290.119 191.145 133.875 185.193 133.874 -147.012 GPRESSURE: 3734800 169.27 -318.525 195.848 -223.205 127.28 52.8532 133.681 29.5477 -75.4847 PRESSAVG: 3734800 1.54991 -19.2323 -12.1495 -19.2323 -21.1346 -47.2054 -12.1495 -47.2054 -8.22346 GPRESSAVG: 3734800 2.63492 -20.9681 -11.5436 -17.427 -21.7769 -46.8771 -12.5482 -49.4327 -9.00645 TIMING: 3734800 CPU: 11667.3, 0.00312351/step Wall: 11667.3, 0.00312351/step, 1.09774 hours remaining, 234.261719 MB of memory in use. ENERGY: 3734800 3983.6504 20499.0085 14423.3749 253.6894 -203391.0863 2830.8312 0.0000 0.0000 52408.4203 -108992.1114 301.1919 -161400.5317 -108618.0469 299.6262 44.8537 73.6883 764714.3772 -9.2694 -9.3828 PRESSURE: 3735000 220.24 -99.9583 -151.534 -99.9573 12.5601 -2.92595 -151.534 -2.92609 -27.2633 GPRESSURE: 3735000 159.833 -87.097 -200.108 -54.4745 81.569 92.0585 26.3516 -62.6799 44.9029 PRESSAVG: 3735000 26.5197 5.38209 -28.569 5.38206 -9.15246 7.20954 -28.5689 7.2096 -19.3635 GPRESSAVG: 3735000 26.4541 6.65626 -30.2751 3.95075 -8.91071 9.07028 -29.1278 6.9739 -18.8132 TIMING: 3735000 CPU: 11667.9, 0.00313543/step Wall: 11667.9, 0.00313543/step, 1.10176 hours remaining, 234.261719 MB of memory in use. ENERGY: 3735000 3954.1353 20523.3456 14436.5515 261.6027 -203454.2214 3057.8368 0.0000 0.0000 52057.1470 -109163.6025 299.1731 -161220.7495 -108800.0409 299.7702 68.5123 95.4349 764209.8833 -0.6654 -0.4233 PRESSURE: 3735200 91.8725 100.548 11.4256 100.548 -235.417 -83.4606 11.4253 -83.4611 173.791 GPRESSURE: 3735200 105.557 21.8361 94.4338 58.1887 -139.428 -84.2113 46.7254 -148.276 151.576 PRESSAVG: 3735200 -7.69315 37.5877 1.9629 37.5877 35.5215 -13.3826 1.96287 -13.3825 -6.45524 GPRESSAVG: 3735200 -6.6029 38.5513 3.94673 37.4977 36.7347 -13.4218 1.88749 -14.7977 -8.05322 TIMING: 3735200 CPU: 11668.6, 0.00316938/step Wall: 11668.6, 0.00316938/step, 1.11351 hours remaining, 234.261719 MB of memory in use. ENERGY: 3735200 4061.4149 20488.5422 14359.2045 256.3844 -203352.6130 2857.4024 0.0000 0.0000 52153.9251 -109175.7395 299.7293 -161329.6646 -108810.7264 299.3084 10.0822 39.2353 762920.8909 7.1244 7.3595 PRESSURE: 3735400 -324.884 53.6273 -123.731 53.6269 -170.959 170.241 -123.73 170.242 -152.847 GPRESSURE: 3735400 -188.126 81.0254 -104.991 -15.1141 -249.003 135.633 -153.141 197.986 -123.271 PRESSAVG: 3735400 -13.4172 6.70535 8.82183 6.70533 17.7411 43.1889 8.82191 43.1889 -30.7548 GPRESSAVG: 3735400 -12.9282 4.60981 9.67167 5.43286 17.3047 41.8025 9.63864 46.8526 -30.0348 TIMING: 3735400 CPU: 11669.2, 0.00313276/step Wall: 11669.2, 0.00313276/step, 1.10047 hours remaining, 234.261719 MB of memory in use. ENERGY: 3735400 4028.4204 20578.8802 14415.3088 248.3281 -203261.8275 2913.7212 0.0000 0.0000 52043.5888 -109033.5800 299.0952 -161077.1688 -108675.0899 299.1530 -216.2302 -186.8000 763885.4611 -8.8103 -8.5528 PRESSURE: 3735600 -183.458 -96.7809 -102.121 -96.7815 269.407 190.646 -102.122 190.646 264.997 GPRESSURE: 3735600 -152.712 -181.618 -39.5588 17.4177 260.243 213.864 -146.396 77.4056 323.405 PRESSAVG: 3735600 22.8226 19.2658 9.66322 19.2657 12.8219 -3.32274 9.66325 -3.3227 -19.9733 GPRESSAVG: 3735600 21.8706 19.8692 7.81239 22.6094 12.7904 -2.03145 9.58992 -5.74953 -19.5885 TIMING: 3735600 CPU: 11669.8, 0.00313722/step Wall: 11669.8, 0.00313722/step, 1.10186 hours remaining, 234.261719 MB of memory in use. ENERGY: 3735600 4018.9461 20405.9030 14411.6259 232.8280 -203338.4269 3101.6924 0.0000 0.0000 51985.8515 -109181.5801 298.7634 -161167.4316 -108816.6071 299.3363 116.9821 143.6453 762847.4541 5.2237 5.0242 PRESSURE: 3735800 -202.719 -26.8662 199.425 -26.8664 -123.718 -53.4557 199.425 -53.4568 -278.257 GPRESSURE: 3735800 -211.636 -6.35079 135.86 63.5065 -2.97159 37.5863 154.283 -30.2516 -295.526 PRESSAVG: 3735800 25.3864 -40.9745 1.73815 -40.9745 -18.7352 -33.9416 1.7382 -33.9417 7.03522 GPRESSAVG: 3735800 25.338 -40.3903 2.31426 -43.0726 -18.3546 -34.9939 2.52057 -31.144 6.71525 TIMING: 3735800 CPU: 11670.5, 0.00311222/step Wall: 11670.5, 0.00311222/step, 1.09291 hours remaining, 234.261719 MB of memory in use. ENERGY: 3735800 3986.4783 20604.5455 14372.4981 223.5179 -203102.0202 2650.7703 0.0000 0.0000 52016.2243 -109247.9859 298.9380 -161264.2101 -108879.4060 298.7526 -201.5648 -170.0448 763738.5067 4.5622 4.5662 PRESSURE: 3736000 -84.139 -333.808 -151.45 -333.808 -100.086 -227.286 -151.449 -227.286 -145.995 GPRESSURE: 3736000 -64.529 -335.489 -143.097 -307.52 -35.9629 -236.707 -142.831 -18.6861 -146.464 PRESSAVG: 3736000 -5.13347 -62.1476 -68.0222 -62.1476 -41.1628 -3.52539 -68.0222 -3.52548 -0.417841 GPRESSAVG: 3736000 -5.86426 -61.8795 -67.7006 -62.4658 -40.1688 -2.71958 -69.0653 -3.44942 -0.326893 TIMING: 3736000 CPU: 11671.1, 0.00314173/step Wall: 11671.1, 0.00314173/step, 1.1031 hours remaining, 234.261719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3736000 3981.0846 20293.1690 14357.8120 255.8780 -203198.7320 2747.3555 0.0000 0.0000 52204.0880 -109359.3448 300.0176 -161563.4328 -108991.8207 298.2446 -110.0732 -82.3186 763732.5397 -15.5714 -15.4533 PRESSURE: 3736200 -41.5723 59.9156 -226.149 59.9155 143.85 114.662 -226.148 114.663 419.035 GPRESSURE: 3736200 122.32 -74.7251 -219.243 111.59 19.8707 88.0901 -146.272 43.9662 449.666 PRESSAVG: 3736200 -27.3669 -47.3667 -57.8298 -47.3667 22.8095 -4.35828 -57.8298 -4.35819 7.3565 GPRESSAVG: 3736200 -26.3215 -48.533 -58.2603 -45.5688 21.6955 -3.48243 -57.4934 -9.03825 7.51852 TIMING: 3736200 CPU: 11671.7, 0.00310422/step Wall: 11671.7, 0.00310422/step, 1.08975 hours remaining, 234.261719 MB of memory in use. ENERGY: 3736200 3957.6589 20429.5753 14355.3419 242.3631 -203294.7423 2782.7864 0.0000 0.0000 52042.7695 -109484.2471 299.0905 -161527.0166 -109127.2514 298.4528 173.7711 197.2857 762336.4590 0.9330 0.9642 LDB: ============= START OF LOAD BALANCING ============== 11684.2 LDB: ============== END OF LOAD BALANCING =============== 11684.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11684.2 LDB: ============= START OF LOAD BALANCING ============== 11684.5 LDB: Largest compute 6998 load 0.029254 is 15.0% of average load 0.195307 LDB: Average compute 0.004366 is 2.2% of average load 0.195307 LDB: TIME 11684.5 LOAD: AVG 0.195307 MAX 0.214299 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.773 MB LDB: TIME 11684.5 LOAD: AVG 0.195307 MAX 0.214299 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.867 MB LDB: TIME 11684.5 LOAD: AVG 0.195307 MAX 0.214299 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.867 MB LDB: ============== END OF LOAD BALANCING =============== 11684.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11684.5 PRESSURE: 3736400 38.3194 -141.537 281.077 -141.537 151.181 146.262 281.076 146.263 7.29141 GPRESSURE: 3736400 9.34193 -138.729 237.562 -102.985 278.69 128.403 130.506 159.441 14.5809 PRESSAVG: 3736400 -47.3982 -52.0765 2.99135 -52.0765 -15.6144 32.5335 2.9914 32.5334 0.177201 GPRESSAVG: 3736400 -48.1536 -49.5625 2.74719 -55.7007 -15.8197 32.3053 3.44144 34.6603 0.334709 TIMING: 3736400 CPU: 11672.3, 0.00319376/step Wall: 11672.3, 0.00319376/step, 1.12101 hours remaining, 234.320312 MB of memory in use. ENERGY: 3736400 3971.7919 20404.3576 14409.6583 222.8354 -203425.9204 2980.8565 0.0000 0.0000 52015.7098 -109420.7108 298.9350 -161436.4206 -109056.3812 298.3847 65.5971 100.8710 763474.6943 -20.9451 -21.2129 PRESSURE: 3736600 93.5777 95.7054 -172.375 95.7051 125.541 92.5496 -172.375 92.5501 172.373 GPRESSURE: 3736600 178.07 109.035 -123.855 83.8702 137.24 1.45144 -232.389 167.02 159.309 PRESSAVG: 3736600 27.4498 -40.6268 -7.32362 -40.6267 -22.0651 -26.7787 -7.32366 -26.7786 -2.78289 GPRESSAVG: 3736600 26.8054 -42.8723 -6.17702 -40.8046 -20.8907 -27.5711 -7.70659 -24.7974 -3.32474 TIMING: 3736600 CPU: 11673, 0.00311262/step Wall: 11673, 0.00311262/step, 1.09236 hours remaining, 234.320312 MB of memory in use. ENERGY: 3736600 3976.3229 20532.9051 14439.6342 241.1528 -203138.1090 2793.8837 0.0000 0.0000 51949.2924 -109204.9178 298.5533 -161154.2103 -108838.9390 298.8702 130.4973 158.2061 762967.6781 0.8673 0.8633 PRESSURE: 3736800 112.501 -31.5066 -173.014 -31.5066 -87.1828 71.1634 -173.014 71.1631 -101.239 GPRESSURE: 3736800 208.93 146.381 -166.677 -20.8152 -82.3298 154.416 -151.977 -98.5354 -109.746 PRESSAVG: 3736800 69.5156 -52.5097 2.40708 -52.5097 -17.3299 -70.3031 2.40706 -70.3031 2.5539 GPRESSAVG: 3736800 69.7218 -50.6029 1.47364 -51.2454 -18.2879 -68.9138 4.56139 -72.9584 2.81121 TIMING: 3736800 CPU: 11673.6, 0.00313259/step Wall: 11673.6, 0.00313259/step, 1.09919 hours remaining, 234.320312 MB of memory in use. ENERGY: 3736800 3972.5271 20476.9800 14365.4311 245.9877 -203543.8291 3046.9499 0.0000 0.0000 52106.3719 -109329.5816 299.4560 -161435.9535 -108964.7029 299.2147 -25.3070 5.6181 763699.9548 18.2466 18.0817 PRESSURE: 3737000 152.142 -132.291 199.575 -132.29 -146.968 134.358 199.575 134.36 -15.3771 GPRESSURE: 3737000 71.875 -259.43 219.994 -207.889 -41.6117 142.626 20.0389 97.4364 34.6451 PRESSAVG: 3737000 -5.66852 -9.28306 -37.8762 -9.28304 -17.7411 -21.0659 -37.8761 -21.0659 -7.50408 GPRESSAVG: 3737000 -5.44136 -9.84455 -37.5131 -9.41135 -18.0248 -21.4843 -40.3801 -20.3877 -7.60433 TIMING: 3737000 CPU: 11674.2, 0.00313438/step Wall: 11674.2, 0.00313438/step, 1.09965 hours remaining, 234.320312 MB of memory in use. ENERGY: 3737000 3957.9886 20697.2867 14370.6774 253.5876 -203462.8183 2711.8914 0.0000 0.0000 52144.1812 -109327.2055 299.6733 -161471.3867 -108962.2816 299.1170 -3.4010 21.6362 762821.7858 -10.3046 -10.3568 PRESSURE: 3737200 33.7433 -74.6835 -104.941 -74.6842 230.778 -83.8802 -104.941 -83.8799 12.199 GPRESSURE: 3737200 144.119 -80.0915 -108.79 -151.62 226.593 -74.2573 37.4357 -106.385 7.87677 PRESSAVG: 3737200 46.5249 -42.8329 11.7766 -42.8329 -10.7331 -34.3514 11.7767 -34.3514 -11.4106 GPRESSAVG: 3737200 45.8067 -41.0669 11.0542 -43.5847 -10.4521 -34.4464 13.0391 -33.6651 -10.4762 TIMING: 3737200 CPU: 11674.8, 0.00312849/step Wall: 11674.8, 0.00312849/step, 1.09741 hours remaining, 234.320312 MB of memory in use. ENERGY: 3737200 3999.4519 20593.4559 14421.9053 251.8719 -203551.8621 3026.6691 0.0000 0.0000 52015.3022 -109243.2058 298.9327 -161258.5080 -108888.2991 299.2667 92.2402 126.1962 763306.9677 8.1271 8.2928 PRESSURE: 3737400 134.281 -162.341 158.018 -162.34 -452.643 20.6058 158.019 20.6065 -299.075 GPRESSURE: 3737400 150.937 -64.8488 28.0097 -202.204 -456.598 86.4966 206.108 -40.1636 -219.126 PRESSAVG: 3737400 -15.0832 -7.26376 42.7481 -7.26372 3.97591 35.5499 42.7481 35.5499 -13.3611 GPRESSAVG: 3737400 -15.7722 -8.86168 42.7549 -5.78791 4.97088 36.9735 41.8652 34.2713 -13.5393 TIMING: 3737400 CPU: 11675.5, 0.00312599/step Wall: 11675.5, 0.00312599/step, 1.09636 hours remaining, 234.320312 MB of memory in use. ENERGY: 3737400 4026.5658 20741.3419 14351.3544 253.4277 -203153.8904 2598.7571 0.0000 0.0000 52232.8939 -108949.5497 300.1832 -161182.4436 -108589.2045 300.3539 -205.8122 -174.9288 763447.7733 -8.1561 -8.1136 PRESSURE: 3737600 -162.744 -49.9015 -82.3985 -49.9019 -28.0593 266.593 -82.3981 266.593 -91.9872 GPRESSURE: 3737600 -38.6228 -155.199 -47.1031 -45.6453 -161.748 275.3 -185.217 158.778 -3.86146 PRESSAVG: 3737600 -20.1048 0.731498 -30.9127 0.731507 34.2761 -23.1108 -30.9127 -23.1108 -17.0837 GPRESSAVG: 3737600 -18.7092 0.659383 -31.1874 -1.16494 32.9167 -23.9332 -32.8341 -22.3287 -16.996 TIMING: 3737600 CPU: 11676.1, 0.00313607/step Wall: 11676.1, 0.00313607/step, 1.09971 hours remaining, 234.320312 MB of memory in use. ENERGY: 3737600 4029.5703 20690.9859 14450.5560 233.2574 -203241.8990 2813.3809 0.0000 0.0000 52479.8487 -108544.2998 301.6024 -161024.1484 -108162.4639 300.7391 -94.2635 -68.0775 764032.0299 -0.9708 -0.9295 PRESSURE: 3737800 -284.227 -90.2923 -80.2837 -90.2931 4.30642 145.223 -80.2836 145.223 337.614 GPRESSURE: 3737800 -242.893 -50.4786 21.1224 -89.7233 77.2229 114.159 51.4223 15.2535 303.443 PRESSAVG: 3737800 -16.3552 -86.4702 16.6694 -86.4702 25.576 0.941099 16.6693 0.941096 2.38231 GPRESSAVG: 3737800 -17.2951 -86.2573 17.822 -83.5042 25.6808 -1.50443 16.1823 1.13771 3.1696 TIMING: 3737800 CPU: 11676.7, 0.00312539/step Wall: 11676.7, 0.00312539/step, 1.0958 hours remaining, 234.320312 MB of memory in use. ENERGY: 3737800 4006.5950 20576.2369 14493.2337 236.8178 -202809.9406 2643.6948 0.0000 0.0000 52212.5364 -108640.8261 300.0662 -160853.3625 -108272.2103 300.9417 19.2312 45.9243 763810.1675 3.8677 3.8518 PRESSURE: 3738000 31.9834 -109.592 -324.056 -109.592 526.958 118.912 -324.055 118.912 190.19 GPRESSURE: 3738000 180.223 -205.191 -350.316 -95.3383 420.209 139.271 -260.942 127.494 233.341 PRESSAVG: 3738000 -17.6424 -30.4944 37.0665 -30.4943 0.67641 43.6874 37.0666 43.6875 -7.18512 GPRESSAVG: 3738000 -17.3802 -32.0315 36.694 -31.4051 1.10036 44.4438 38.7619 43.6991 -8.55748 TIMING: 3738000 CPU: 11677.3, 0.00311344/step Wall: 11677.3, 0.00311344/step, 1.09143 hours remaining, 234.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3738000 3943.1513 20652.0976 14372.2318 245.7747 -203306.8659 2991.5913 0.0000 0.0000 52347.2906 -108754.7285 300.8406 -161102.0191 -108386.1885 300.2975 249.7104 277.9240 763974.9288 -8.0504 -8.2791 PRESSURE: 3738200 -311.31 -166.408 -212.694 -166.409 136.206 115.3 -212.695 115.3 -304.27 GPRESSURE: 3738200 -291.576 -253.962 -214.061 -144.211 101.54 162.157 -144.025 15.1798 -190.883 PRESSAVG: 3738200 -29.245 -0.951807 -5.10435 -0.951832 -11.9266 40.3963 -5.10433 40.3964 6.26401 GPRESSAVG: 3738200 -28.2417 2.67954 -6.34581 -4.04658 -13.0422 41.798 -3.14541 39.8607 6.77312 TIMING: 3738200 CPU: 11678, 0.0031285/step Wall: 11678, 0.0031285/step, 1.09654 hours remaining, 234.320312 MB of memory in use. ENERGY: 3738200 4031.7904 20684.1332 14442.3741 258.8321 -202429.1857 2241.8236 0.0000 0.0000 52115.5329 -108654.6993 299.5087 -160770.2322 -108288.4372 300.6708 -159.7915 -126.9729 764170.9198 -11.6359 -11.5036 PRESSURE: 3738400 -214.023 177.087 -91.8769 177.087 18.2695 -73.8378 -91.8765 -73.8378 -250.498 GPRESSURE: 3738400 -248.343 223.622 -155.915 34.2515 49.9708 -99.5348 -155.837 -69.1753 -183.392 PRESSAVG: 3738400 -31.5633 -6.35292 -56.3374 -6.35288 15.9984 12.1743 -56.3374 12.1743 15.4436 GPRESSAVG: 3738400 -32.7574 -9.38025 -54.6733 -4.00974 17.1961 12.1363 -57.8149 12.014 15.2675 TIMING: 3738400 CPU: 11678.6, 0.00312799/step Wall: 11678.6, 0.00312799/step, 1.09619 hours remaining, 234.320312 MB of memory in use. ENERGY: 3738400 4072.7125 20810.1808 14447.8088 220.1556 -203548.6711 2881.9776 0.0000 0.0000 52204.5367 -108911.2991 300.0202 -161115.8358 -108547.8517 300.3269 -148.7507 -127.2546 763804.9038 -0.0404 -0.0979 PRESSURE: 3738600 -67.4694 -161.585 -84.188 -161.585 -232.523 78.852 -84.1882 78.8519 -196.394 GPRESSURE: 3738600 -79.5036 -142.252 -77.6577 -142.038 -203.336 14.1086 -16.8108 -13.7046 -128.156 PRESSAVG: 3738600 -28.9893 -37.3975 -20.0318 -37.3975 9.23753 -23.4538 -20.0318 -23.4539 10.2125 GPRESSAVG: 3738600 -27.9141 -37.5019 -20.7475 -36.4073 8.62826 -23.9217 -21.6581 -24.1801 9.30313 TIMING: 3738600 CPU: 11679.2, 0.00312852/step Wall: 11679.2, 0.00312852/step, 1.0962 hours remaining, 234.320312 MB of memory in use. ENERGY: 3738600 3983.4911 20528.8749 14471.4138 253.8746 -203050.2447 2772.6217 0.0000 0.0000 51984.6634 -109055.3052 298.7566 -161039.9686 -108700.6739 299.1802 -165.4621 -136.9985 764936.5807 -3.1798 -3.3276 PRESSURE: 3738800 -5.73263 -76.6916 -18.3039 -76.6918 -189.231 -256.674 -18.3038 -256.673 23.8643 GPRESSURE: 3738800 68.9036 -63.8077 64.6027 -108.03 -274.05 -270.864 32.8372 -203.376 122.144 PRESSAVG: 3738800 -38.7682 -34.8 0.214069 -34.8 22.2228 -14.9171 0.214077 -14.9172 6.59125 GPRESSAVG: 3738800 -39.4991 -34.2351 0.195768 -34.3931 22.4751 -13.6923 1.03356 -15.4507 7.37005 TIMING: 3738800 CPU: 11679.8, 0.00311919/step Wall: 11679.8, 0.00311919/step, 1.09276 hours remaining, 234.320312 MB of memory in use. ENERGY: 3738800 3967.0103 20768.8487 14407.8318 245.2901 -203157.0934 2633.6962 0.0000 0.0000 52086.4782 -109047.9382 299.3417 -161134.4164 -108691.8294 299.5549 -57.0331 -27.6676 764631.6981 -3.3181 -3.2180 PRESSURE: 3739000 -130.829 -23.0308 135.948 -23.0302 -262.377 -60.3183 135.948 -60.3194 -327.803 GPRESSURE: 3739000 -70.3279 -57.013 185.218 -125.072 -257.989 -35.376 164.941 -69.9628 -307.338 PRESSAVG: 3739000 -8.84415 -14.2297 1.21793 -14.2297 -4.11785 -6.69947 1.21788 -6.69957 4.82157 GPRESSAVG: 3739000 -8.36373 -15.8381 1.78009 -14.5673 -4.40992 -5.93592 0.295359 -5.46697 4.60442 TIMING: 3739000 CPU: 11680.5, 0.00311541/step Wall: 11680.5, 0.00311541/step, 1.09126 hours remaining, 234.320312 MB of memory in use. ENERGY: 3739000 3975.1688 20429.0212 14445.0137 244.4985 -203061.5598 2806.9230 0.0000 0.0000 52088.8669 -109072.0676 299.3554 -161160.9346 -108704.1046 299.4362 -240.3364 -211.8848 765084.1288 -2.7135 -2.7231 PRESSURE: 3739200 -499.549 -151.644 -212.134 -151.644 -94.7592 -115.4 -212.135 -115.401 -566.388 GPRESSURE: 3739200 -422.122 -95.1995 -234.224 -122.066 -121.858 -139.231 -153.055 -184.052 -535.888 PRESSAVG: 3739200 -83.5812 -23.436 -4.29682 -23.436 44.5435 60.6032 -4.29688 60.6031 -0.522708 GPRESSAVG: 3739200 -83.5616 -21.9262 -4.39991 -24.2213 43.825 57.9081 -3.59726 60.3122 -0.10326 TIMING: 3739200 CPU: 11681.1, 0.00312721/step Wall: 11681.1, 0.00312721/step, 1.09522 hours remaining, 234.320312 MB of memory in use. ENERGY: 3739200 3966.8640 20650.3792 14428.3726 269.6953 -202771.4540 2483.8392 0.0000 0.0000 51936.5057 -109035.7980 298.4798 -160972.3037 -108672.4007 299.0345 -386.8987 -359.9559 765874.8201 -13.1868 -13.2800 PRESSURE: 3739400 -75.5597 -198.46 -0.993529 -198.459 28.3596 134.665 -0.994378 134.666 165.653 GPRESSURE: 3739400 -16.3544 -76.7466 63.0371 -137.282 136.125 161.113 79.7624 99.239 97.4843 PRESSAVG: 3739400 -37.7073 -40.5891 -7.74335 -40.5891 24.0653 19.6056 -7.74335 19.6056 -31.5596 GPRESSAVG: 3739400 -36.9754 -41.3811 -7.96561 -40.0595 24.9275 19.4021 -7.73445 19.5553 -32.7606 TIMING: 3739400 CPU: 11681.7, 0.00311806/step Wall: 11681.7, 0.00311806/step, 1.09184 hours remaining, 234.320312 MB of memory in use. ENERGY: 3739400 3948.0468 20579.5984 14377.7043 252.9825 -203380.3078 2845.5033 0.0000 0.0000 52166.8164 -109209.6562 299.8034 -161376.4725 -108850.1368 299.5561 39.4842 72.4185 763779.1828 -15.0672 -14.9361 PRESSURE: 3739600 175.81 -3.73917 219.546 -3.73897 -314.234 -16.605 219.546 -16.6068 -96.1618 GPRESSURE: 3739600 161.184 -70.2674 148.076 -20.1152 -253.408 -142.166 249.336 -141.784 -52.6223 PRESSAVG: 3739600 -55.4565 -31.5806 45.1747 -31.5805 79.8836 36.292 45.1746 36.2919 21.1486 GPRESSAVG: 3739600 -55.7996 -30.6085 43.8327 -32.685 80.1901 38.517 44.9769 33.9965 21.2864 TIMING: 3739600 CPU: 11682.3, 0.00313706/step Wall: 11682.3, 0.00313706/step, 1.09832 hours remaining, 234.320312 MB of memory in use. ENERGY: 3739600 4034.4161 20488.6000 14379.4456 246.0222 -203606.2880 3061.7419 0.0000 0.0000 52405.4982 -108990.5640 301.1751 -161396.0621 -108618.7092 299.4844 -78.1954 -48.2823 762515.9983 15.1919 15.2256 PRESSURE: 3739800 -160.083 -147.964 -58.6235 -147.964 38.4896 -23.9476 -58.6239 -23.9472 16.8836 GPRESSURE: 3739800 -134.82 -42.9572 -91.1074 -161.85 49.4544 36.0452 -77.3565 -59.9277 58.4862 PRESSAVG: 3739800 -16.7398 -60.3545 8.59005 -60.3545 11.9126 16.0583 8.59001 16.0584 -21.8637 GPRESSAVG: 3739800 -16.8276 -60.6368 8.77792 -58.0602 11.8995 14.9644 9.62777 17.2861 -22.1465 TIMING: 3739800 CPU: 11683, 0.00315757/step Wall: 11683, 0.00315757/step, 1.10532 hours remaining, 234.320312 MB of memory in use. ENERGY: 3739800 4015.1742 20648.5777 14440.6378 258.5830 -203634.4436 3057.3027 0.0000 0.0000 52074.0699 -109140.0982 299.2704 -161214.1681 -108781.4816 299.6963 -34.9032 -8.9596 763601.7824 -8.8970 -9.0249 PRESSURE: 3740000 -300.316 70.6492 -228.783 70.6484 -72.699 16.1285 -228.783 16.1298 -15.2564 GPRESSURE: 3740000 -137.62 7.66553 -245.898 112.701 -131.202 0.26044 -274.92 225.187 -30.2999 PRESSAVG: 3740000 -7.30258 -9.89335 -22.4508 -9.89335 18.6401 -45.4052 -22.4508 -45.4053 6.67488 GPRESSAVG: 3740000 -7.39044 -10.2768 -20.6086 -12.2444 16.8061 -45.6376 -23.7358 -41.4231 8.45549 TIMING: 3740000 CPU: 11683.6, 0.00316317/step Wall: 11683.6, 0.00316317/step, 1.10711 hours remaining, 234.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3740000 3958.9486 20459.8238 14376.0754 256.0609 -203073.0092 2755.8517 0.0000 0.0000 51955.3368 -109310.9120 298.5880 -161266.2488 -108935.4128 298.8407 -129.4239 -99.7071 764392.5226 6.0041 5.9571 PRESSURE: 3740200 184.994 -114.395 158.506 -114.395 -3.25633 249.037 158.506 249.036 -196.748 GPRESSURE: 3740200 237.08 -174.519 201.204 -50.9477 37.7536 229.443 110.504 263.445 -205.106 PRESSAVG: 3740200 31.0055 -26.582 20.9152 -26.582 28.6977 57.3271 20.9152 57.327 -2.18223 GPRESSAVG: 3740200 30.8499 -26.7941 20.5634 -25.6542 29.7507 57.544 20.5911 53.7678 -2.97085 TIMING: 3740200 CPU: 11684.2, 0.0031512/step Wall: 11684.2, 0.0031512/step, 1.10275 hours remaining, 234.320312 MB of memory in use. ENERGY: 3740200 3960.6782 20612.2984 14345.5136 243.7141 -203400.0944 2931.8261 0.0000 0.0000 52042.2477 -109263.8163 299.0875 -161306.0639 -108907.8969 299.1831 -5.0036 23.2426 763742.5609 19.1736 19.2099 LDB: ============= START OF LOAD BALANCING ============== 11696.7 LDB: ============== END OF LOAD BALANCING =============== 11696.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11696.7 LDB: ============= START OF LOAD BALANCING ============== 11697 LDB: Largest compute 6998 load 0.029461 is 15.1% of average load 0.195335 LDB: Average compute 0.004381 is 2.2% of average load 0.195335 LDB: TIME 11697 LOAD: AVG 0.195335 MAX 0.214928 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.578 MB LDB: TIME 11697 LOAD: AVG 0.195335 MAX 0.214928 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.578 MB LDB: TIME 11697 LOAD: AVG 0.195335 MAX 0.214928 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.578 MB LDB: ============== END OF LOAD BALANCING =============== 11697 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11697 PRESSURE: 3740400 44.5513 -35.3632 -141.37 -35.363 -269.067 -63.0351 -141.37 -63.0358 225.994 GPRESSURE: 3740400 71.9354 4.80167 -192.19 36.8113 -163.67 -143.118 -67.1658 -33.5032 182.39 PRESSAVG: 3740400 17.1214 8.64027 -7.6514 8.64029 -11.0741 -23.7213 -7.65143 -23.7213 12.6432 GPRESSAVG: 3740400 17.2187 9.9353 -6.46869 9.57528 -10.9263 -24.1522 -8.08337 -21.0775 12.5231 TIMING: 3740400 CPU: 11684.9, 0.00318691/step Wall: 11684.9, 0.00318691/step, 1.11506 hours remaining, 233.605469 MB of memory in use. ENERGY: 3740400 3956.9712 20450.8764 14413.6361 237.3653 -203153.0911 2909.0249 0.0000 0.0000 52041.8331 -109143.3841 299.0851 -161185.2172 -108781.9754 299.4875 0.4929 30.2185 762393.2617 6.2302 6.2718 PRESSURE: 3740600 -140.087 149.704 84.3608 149.704 12.0026 35.0601 84.3604 35.0603 -121.154 GPRESSURE: 3740600 -134.924 137.836 46.7772 158.752 61.8766 86.4569 52.5825 -86.9525 -116.033 PRESSAVG: 3740600 -23.9941 24.4981 44.2512 24.498 28.4005 -18.6169 44.2512 -18.6169 1.93696 GPRESSAVG: 3740600 -23.8806 25.2937 42.0053 21.9863 28.1926 -18.2856 46.2308 -21.6085 1.37245 TIMING: 3740600 CPU: 11685.5, 0.00312391/step Wall: 11685.5, 0.00312391/step, 1.09285 hours remaining, 233.605469 MB of memory in use. ENERGY: 3740600 3970.7779 20552.4267 14411.1945 247.1583 -202757.3106 2489.4872 0.0000 0.0000 52214.0088 -108872.2572 300.0746 -161086.2661 -108514.1929 299.6652 -83.0795 -63.0269 763617.0717 2.1144 1.8948 PRESSURE: 3740800 -100.69 90.8448 33.5076 90.8454 182.235 131.293 33.507 131.292 -54.6234 GPRESSURE: 3740800 -59.1573 174.81 -27.905 -65.3898 197.903 140.583 34.6642 51.7768 -27.507 PRESSAVG: 3740800 13.6181 -5.9157 36.9782 -5.91571 -3.12221 12.9283 36.9782 12.9284 -19.1276 GPRESSAVG: 3740800 13.4371 -4.82301 39.703 -4.42499 -2.54667 13.2136 35.692 13.948 -19.6154 TIMING: 3740800 CPU: 11686.1, 0.00312548/step Wall: 11686.1, 0.00312548/step, 1.09322 hours remaining, 233.605469 MB of memory in use. ENERGY: 3740800 3947.0452 20538.0016 14361.7084 259.1029 -203117.1271 2884.0110 0.0000 0.0000 52211.3210 -108915.9370 300.0592 -161127.2580 -108556.0094 300.0317 8.9739 37.0797 764243.7655 -2.8773 -2.9083 PRESSURE: 3741000 -153.161 77.3613 -85.4081 77.3615 -437.751 -46.2486 -85.4077 -46.2489 -282.009 GPRESSURE: 3741000 -48.633 7.22367 -121.387 26.0176 -449.065 -81.8546 -103.662 -117.973 -296.768 PRESSAVG: 3741000 -9.6584 18.652 -52.6595 18.652 20.7446 -35.1251 -52.6595 -35.1251 6.63452 GPRESSAVG: 3741000 -9.62784 17.4103 -54.0105 18.6733 20.3204 -37.0542 -50.8135 -33.6201 6.66445 TIMING: 3741000 CPU: 11686.8, 0.00312133/step Wall: 11686.8, 0.00312133/step, 1.0916 hours remaining, 233.605469 MB of memory in use. ENERGY: 3741000 3958.9599 20388.2149 14422.1307 265.1998 -202895.2978 2572.7692 0.0000 0.0000 52015.9636 -109272.0597 298.9365 -161288.0233 -108909.5829 299.2161 -290.9738 -264.8219 763946.0297 5.9069 5.7857 PRESSURE: 3741200 83.7198 -275.223 -135.034 -275.223 52.7758 -54.2163 -135.034 -54.2167 145.1 GPRESSURE: 3741200 75.267 -377.619 -159.456 -235.532 32.9244 -157.397 -57.9255 -110.187 242.515 PRESSAVG: 3741200 -47.5269 -13.4511 -32.3409 -13.4511 55.0417 -19.669 -32.3409 -19.6691 16.1758 GPRESSAVG: 3741200 -47.8845 -13.4686 -30.7935 -13.915 55.8423 -17.8348 -33.9079 -23.323 15.6145 TIMING: 3741200 CPU: 11687.4, 0.00313842/step Wall: 11687.4, 0.00313842/step, 1.0974 hours remaining, 233.605469 MB of memory in use. ENERGY: 3741200 3949.6478 20378.7328 14378.7755 254.8084 -203021.8065 2633.1222 0.0000 0.0000 51959.1394 -109467.5804 298.6099 -161426.7198 -109102.2642 298.9425 93.8654 116.9020 763072.3322 7.8969 7.8574 PRESSURE: 3741400 8.44195 20.4537 -127.537 20.4536 143.529 141.765 -127.538 141.763 394.395 GPRESSURE: 3741400 1.77811 38.5898 -150.844 -29.3227 224.138 46.6738 -123.147 99.2861 410.553 PRESSAVG: 3741400 -25.8533 -23.2596 -62.8338 -23.2596 26.1851 23.8261 -62.8338 23.8262 -10.1523 GPRESSAVG: 3741400 -25.0039 -24.355 -64.0118 -21.793 25.2308 24.4097 -61.8928 25.2935 -9.79568 TIMING: 3741400 CPU: 11688, 0.00314941/step Wall: 11688, 0.00314941/step, 1.10107 hours remaining, 233.605469 MB of memory in use. ENERGY: 3741400 3915.8873 20388.1926 14378.9301 239.3403 -203219.7015 2723.6365 0.0000 0.0000 52145.1406 -109428.5741 299.6788 -161573.7147 -109068.3084 298.6998 182.1220 212.1563 761586.8834 -3.2735 -3.1896 PRESSURE: 3741600 -146.646 -34.7899 -171.145 -34.7909 95.2649 44.1627 -171.144 44.1628 -602.584 GPRESSURE: 3741600 -50.8165 21.4514 -270.826 -16.2208 27.1597 110.309 -163.501 -11.935 -551.539 PRESSAVG: 3741600 2.38567 -21.3733 -15.3867 -21.3734 42.7128 3.78298 -15.3868 3.78296 9.34284 GPRESSAVG: 3741600 2.01299 -21.463 -15.303 -20.6875 42.326 4.53061 -15.2785 4.35732 10.1041 TIMING: 3741600 CPU: 11688.6, 0.00313912/step Wall: 11688.6, 0.00313912/step, 1.0973 hours remaining, 233.605469 MB of memory in use. ENERGY: 3741600 4079.6640 20560.7394 14388.3670 226.1579 -203659.1542 2741.1772 0.0000 0.0000 52133.9566 -109529.0922 299.6146 -161663.0488 -109169.3848 298.4671 -217.9883 -191.7321 762647.3555 18.1471 18.1477 PRESSURE: 3741800 43.4994 -58.5809 185.333 -58.5806 132.549 327.586 185.334 327.586 -31.8006 GPRESSURE: 3741800 6.34343 -158.513 154.071 -66.6431 207.16 239.728 172.56 361.151 -3.38076 PRESSAVG: 3741800 -5.99246 -54.4599 -24.6143 -54.4599 49.8232 32.2107 -24.6143 32.2107 16.8167 GPRESSAVG: 3741800 -5.40669 -54.3748 -26.4992 -53.6825 49.1042 30.6067 -25.2041 31.9477 16.3508 TIMING: 3741800 CPU: 11689.3, 0.00314663/step Wall: 11689.3, 0.00314663/step, 1.09975 hours remaining, 233.605469 MB of memory in use. ENERGY: 3741800 3954.7343 20547.6768 14409.7858 238.7772 -203354.2809 2910.7367 0.0000 0.0000 51823.2279 -109469.3421 297.8288 -161292.5700 -109112.0382 299.0082 48.0827 70.0409 762607.6534 20.2158 20.0161 PRESSURE: 3742000 -125.559 100.861 125.742 100.861 -310.232 40.8416 125.742 40.8428 -327.972 GPRESSURE: 3742000 -75.1015 136.727 162.264 -14.4119 -242.673 49.2349 191.955 26.6115 -365.545 PRESSAVG: 3742000 -23.5612 -13.6976 39.5966 -13.6977 35.7782 37.6026 39.5966 37.6026 13.725 GPRESSAVG: 3742000 -26.2038 -13.9692 42.8227 -15.8304 36.7707 39.1068 39.9148 37.879 14.8348 TIMING: 3742000 CPU: 11689.9, 0.00313449/step Wall: 11689.9, 0.00313449/step, 1.09533 hours remaining, 233.605469 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: 3742000 3920.6839 20538.1419 14290.6568 247.5262 -203374.8583 2803.2522 0.0000 0.0000 51896.5274 -109678.0699 298.2501 -161574.5973 -109308.1346 298.2709 -254.5876 -227.7731 764643.9853 8.6473 8.4673 PRESSURE: 3742200 52.0974 -63.5495 209.535 -63.5504 -235.375 89.7199 209.536 89.7209 -301.764 GPRESSURE: 3742200 203.943 -161.584 112.989 -198.229 -334.017 155.49 183.108 161.397 -283.973 PRESSAVG: 3742200 -8.04436 -5.3665 -17.5265 -5.36646 -32.9239 0.491135 -17.5265 0.491184 10.1528 GPRESSAVG: 3742200 -5.12836 -6.68231 -19.4352 -4.15605 -34.5048 1.5491 -18.6904 -0.781317 8.15418 TIMING: 3742200 CPU: 11690.5, 0.00312477/step Wall: 11690.5, 0.00312477/step, 1.09176 hours remaining, 233.605469 MB of memory in use. ENERGY: 3742200 3945.7416 20538.5685 14375.7243 225.8353 -203385.0971 2816.1030 0.0000 0.0000 51993.6754 -109489.4491 298.8084 -161483.1245 -109141.5050 298.2310 -161.6804 -138.0159 763318.5718 -10.2718 -10.4930 PRESSURE: 3742400 195.365 -26.2447 -9.24892 -26.2439 341.669 20.1063 -9.24948 20.1064 87.641 GPRESSURE: 3742400 269.899 -20.9538 -80.9415 -22.2005 396.266 46.2366 144.998 15.4585 42.3627 PRESSAVG: 3742400 41.3767 -5.69582 13.6819 -5.69573 -43.5948 47.5209 13.6819 47.521 31.2905 GPRESSAVG: 3742400 40.0647 -3.61887 13.2506 -5.2404 -43.3336 46.3482 15.1253 49.2748 32.0162 TIMING: 3742400 CPU: 11691.1, 0.0031516/step Wall: 11691.1, 0.0031516/step, 1.10096 hours remaining, 233.605469 MB of memory in use. ENERGY: 3742400 3916.5487 20306.0983 14396.3796 274.2160 -203474.0192 3008.2595 0.0000 0.0000 52157.5632 -109414.9541 299.7502 -161572.5172 -109037.3675 298.4721 208.2252 236.1758 763810.7103 9.6908 9.5824 PRESSURE: 3742600 125.96 104.926 -7.15843 104.927 144.765 321.427 -7.15814 321.427 307.087 GPRESSURE: 3742600 162.048 120.364 124.815 141.392 228.451 362.763 -128.116 185.659 274.43 PRESSAVG: 3742600 -40.1311 11.0761 48.0324 11.076 15.1583 21.6503 48.0324 21.6503 -5.23831 GPRESSAVG: 3742600 -40.5872 12.7327 48.8815 10.2831 15.1393 21.2436 46.8524 21.7162 -4.71131 TIMING: 3742600 CPU: 11691.8, 0.00315641/step Wall: 11691.8, 0.00315641/step, 1.10246 hours remaining, 233.605469 MB of memory in use. ENERGY: 3742600 3919.3215 20488.2089 14403.4174 246.8323 -203431.4460 3034.6412 0.0000 0.0000 51916.6300 -109422.3946 298.3656 -161339.0246 -109062.9938 298.2942 192.6040 221.6431 765191.7094 -10.0704 -10.0531 PRESSURE: 3742800 -73.3763 136.682 14.4396 136.682 -66.259 -24.3555 14.439 -24.3556 -281.706 GPRESSURE: 3742800 -41.6536 23.1452 -33.2462 116.36 -29.4028 -35.0198 177.617 -1.37916 -253.223 PRESSAVG: 3742800 -44.5082 -33.8422 -33.1242 -33.8422 14.2531 13.0454 -33.1243 13.0453 -2.97295 GPRESSAVG: 3742800 -45.7466 -36.0475 -33.5016 -31.9443 15.3118 11.3951 -32.0988 13.9251 -3.00466 TIMING: 3742800 CPU: 11692.4, 0.00313071/step Wall: 11692.4, 0.00313071/step, 1.09331 hours remaining, 233.605469 MB of memory in use. ENERGY: 3742800 3984.1194 20558.9308 14410.0829 240.8127 -203207.6425 2790.1917 0.0000 0.0000 51890.6617 -109332.8435 298.2163 -161223.5051 -108973.2996 298.2331 -140.4471 -108.0931 764941.3200 -11.0760 -11.1465 PRESSURE: 3743000 -140.051 -143.438 28.8456 -143.438 152.155 58.8064 28.8449 58.8054 229.669 GPRESSURE: 3743000 8.63267 -47.8012 83.5359 -205.959 80.4543 -2.28489 -165.376 72.8476 255.62 PRESSAVG: 3743000 15.6333 -2.71179 -6.26019 -2.71183 -43.4104 43.9678 -6.26019 43.9678 -6.19399 GPRESSAVG: 3743000 17.3969 -2.58862 -6.87033 -4.04092 -44.9671 45.4153 -6.25517 43.0491 -6.26974 TIMING: 3743000 CPU: 11693, 0.00311082/step Wall: 11693, 0.00311082/step, 1.08619 hours remaining, 233.605469 MB of memory in use. ENERGY: 3743000 3982.5012 20551.1025 14398.5574 266.0360 -203087.5864 2685.3744 0.0000 0.0000 51816.4498 -109387.5650 297.7898 -161204.0149 -109031.7399 298.6995 80.5909 114.9025 763765.7021 -11.3237 -11.2800 PRESSURE: 3743200 201.665 -105.174 -59.375 -105.174 45.1718 -127.218 -59.3751 -127.217 -60.5829 GPRESSURE: 3743200 240.418 -77.0507 -4.147 -44.8256 24.6774 -69.6392 -88.4941 11.8249 4.83318 PRESSAVG: 3743200 15.5065 -1.86077 -24.815 -1.86078 5.02008 0.710603 -24.815 0.710561 0.504854 GPRESSAVG: 3743200 15.5588 -1.01904 -23.8621 -0.79121 4.86905 1.4089 -25.7214 0.962988 0.175949 TIMING: 3743200 CPU: 11693.7, 0.00311787/step Wall: 11693.7, 0.00311788/step, 1.08848 hours remaining, 233.605469 MB of memory in use. ENERGY: 3743200 4034.6461 20521.6354 14420.7958 238.0389 -203494.2305 2916.5994 0.0000 0.0000 51970.9383 -109391.5766 298.6777 -161362.5149 -109027.2864 299.0224 62.0847 89.9761 763750.3938 7.0105 6.8679 PRESSURE: 3743400 -259.396 -28.1505 -330.372 -28.15 196.928 245.303 -330.372 245.302 -447.916 GPRESSURE: 3743400 -158.29 43.7544 -376.44 -74.6936 130.77 274.039 -359.359 110.3 -416.836 PRESSAVG: 3743400 -9.612 -65.1282 0.917279 -65.1282 -8.94695 -27.9737 0.917214 -27.9737 -23.4076 GPRESSAVG: 3743400 -10.9884 -65.6796 0.567978 -64.1702 -7.94788 -27.5283 1.82429 -28.6247 -23.7339 TIMING: 3743400 CPU: 11694.3, 0.0031189/step Wall: 11694.3, 0.0031189/step, 1.08867 hours remaining, 233.605469 MB of memory in use. ENERGY: 3743400 3961.1045 20518.9240 14475.2146 269.2836 -203006.1678 2468.6642 0.0000 0.0000 51874.4678 -109438.5090 298.1233 -161312.9768 -109079.4919 298.5249 -170.1279 -148.1189 764127.5748 -13.9888 -14.2234 PRESSURE: 3743600 -33.1623 46.8243 -93.6341 46.8251 -163.584 101.848 -93.6342 101.848 250.792 GPRESSURE: 3743600 11.5953 88.4359 -135.536 97.7158 -164.919 99.4903 -3.37906 106.416 287.228 PRESSAVG: 3743600 14.1947 19.2943 -27.6016 19.2944 9.7593 50.5038 -27.6015 50.5038 4.59985 GPRESSAVG: 3743600 14.7127 20.5752 -28.2563 17.5976 8.41215 51.9472 -28.6479 48.5339 5.553 TIMING: 3743600 CPU: 11694.9, 0.00313172/step Wall: 11694.9, 0.00313172/step, 1.09297 hours remaining, 233.605469 MB of memory in use. ENERGY: 3743600 3989.2805 20691.9217 14415.5109 267.1778 -203350.2219 2666.1949 0.0000 0.0000 51949.2900 -109370.8461 298.5533 -161320.1362 -109015.3401 298.9070 18.0155 44.6349 764698.4102 9.5179 9.5593 PRESSURE: 3743800 198.061 -36.1163 -69.5125 -36.1161 -337.662 83.3443 -69.5119 83.343 109.772 GPRESSURE: 3743800 212.858 -68.2362 -17.7676 -28.0795 -284.464 86.5703 -62.5685 90.2959 110.408 PRESSAVG: 3743800 -25.0805 -7.02959 -6.60985 -7.02954 35.3754 24.6169 -6.60987 24.6169 -1.77946 GPRESSAVG: 3743800 -25.8409 -10.2738 -5.33482 -4.87761 37.2904 21.5754 -7.51499 27.2591 -3.24321 TIMING: 3743800 CPU: 11695.5, 0.00313082/step Wall: 11695.5, 0.00313082/step, 1.09248 hours remaining, 233.605469 MB of memory in use. ENERGY: 3743800 3967.1130 20744.1801 14383.1029 248.3089 -203705.5240 2951.2096 0.0000 0.0000 52076.1150 -109335.4944 299.2821 -161411.6094 -108969.3431 298.5902 -9.9426 12.9337 763040.9377 2.8385 2.7354 PRESSURE: 3744000 -89.6872 -27.8187 116.597 -27.818 138.271 -323.168 116.596 -323.168 218.455 GPRESSURE: 3744000 -20.0366 31.0069 113.237 70.2155 78.8731 -274.739 159.147 -323.03 277.53 PRESSAVG: 3744000 10.0151 31.1103 -5.8442 31.1103 -9.98084 51.0278 -5.84428 51.0277 -9.04433 GPRESSAVG: 3744000 11.0416 33.5406 -5.66876 28.6884 -10.1847 51.8366 -6.38045 49.9895 -9.85674 TIMING: 3744000 CPU: 11696.1, 0.00310873/step Wall: 11696.1, 0.00310873/step, 1.0846 hours remaining, 233.605469 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: 3744000 3970.5934 20475.0214 14436.4436 225.2794 -203497.1181 2937.1727 0.0000 0.0000 52077.6445 -109374.9632 299.2909 -161452.6077 -109011.9710 298.5764 89.0128 112.1220 763885.0317 -3.0034 -2.9999 PRESSURE: 3744200 111.146 21.7242 8.49113 21.7236 -231.333 -291.993 8.49151 -291.993 -31.9649 GPRESSURE: 3744200 190.616 67.354 27.7138 34.4441 -213.754 -219.968 73.9132 -202.342 -43.8473 PRESSAVG: 3744200 37.9564 73.6382 28.5248 73.6382 -43.4775 -0.0209686 28.5248 -0.0209191 8.31546 GPRESSAVG: 3744200 37.7193 72.2924 28.8039 73.8567 -44.3777 0.964944 29.2628 -0.99529 9.52933 TIMING: 3744200 CPU: 11696.8, 0.00310721/step Wall: 11696.8, 0.00310721/step, 1.0839 hours remaining, 233.605469 MB of memory in use. ENERGY: 3744200 3941.9131 20483.6339 14515.5128 256.9497 -204008.1304 3115.2979 0.0000 0.0000 51985.3528 -109709.4702 298.7605 -161694.8230 -109342.2779 298.3250 -50.7174 -22.3284 763877.1693 0.9315 0.9570 LDB: ============= START OF LOAD BALANCING ============== 11709.3 LDB: ============== END OF LOAD BALANCING =============== 11709.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11709.3 LDB: ============= START OF LOAD BALANCING ============== 11709.6 LDB: Largest compute 6998 load 0.029133 is 14.9% of average load 0.195444 LDB: Average compute 0.004369 is 2.2% of average load 0.195444 LDB: TIME 11709.6 LOAD: AVG 0.195444 MAX 0.213917 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.887 MB LDB: TIME 11709.6 LOAD: AVG 0.195444 MAX 0.213917 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.98 MB LDB: TIME 11709.6 LOAD: AVG 0.195444 MAX 0.213917 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.98 MB LDB: ============== END OF LOAD BALANCING =============== 11709.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11709.6 PRESSURE: 3744400 -18.2368 100.545 -118.042 100.545 73.2198 -99.7347 -118.043 -99.7348 7.44839 GPRESSURE: 3744400 42.4593 77.5881 -96.5607 93.3704 116.354 -190.863 -111.236 -57.0796 -3.19261 PRESSAVG: 3744400 35.8278 19.5727 -41.1526 19.5727 -57.7368 -12.8503 -41.1526 -12.8503 4.97998 GPRESSAVG: 3744400 34.9336 21.5515 -41.6085 19.799 -56.4904 -14.1598 -42.6082 -9.39747 4.97624 TIMING: 3744400 CPU: 11697.4, 0.00321384/step Wall: 11697.4, 0.00321384/step, 1.12092 hours remaining, 235.402344 MB of memory in use. ENERGY: 3744400 3987.5204 20425.2095 14456.3796 250.9412 -203463.7310 2793.8393 0.0000 0.0000 51768.9832 -109780.8579 297.5171 -161549.8411 -109421.3748 297.5751 20.8105 51.8737 763324.0683 -5.6430 -5.5269 PRESSURE: 3744600 -25.5125 13.6089 -127.313 13.6088 43.4362 118.765 -127.312 118.765 -449.09 GPRESSURE: 3744600 42.6415 -61.48 -81.7178 12.2435 66.6435 154.488 -115.013 145.353 -468.308 PRESSAVG: 3744600 -27.1052 13.3207 -21.6908 13.3207 40.323 -10.1867 -21.6908 -10.1867 -4.14887 GPRESSAVG: 3744600 -25.5334 10.7829 -22.1755 12.8447 40.3867 -9.65277 -19.1729 -9.71271 -5.57805 TIMING: 3744600 CPU: 11698, 0.00314918/step Wall: 11698, 0.00314918/step, 1.09819 hours remaining, 235.660156 MB of memory in use. ENERGY: 3744600 3982.8571 20485.9954 14429.5141 244.2592 -203427.0487 2832.0367 0.0000 0.0000 51846.0383 -109606.3480 297.9599 -161452.3863 -109253.8266 297.8658 -143.7222 -119.6743 762772.7366 3.0230 3.0918 PRESSURE: 3744800 59.7478 23.3453 49.086 23.3458 -30.5501 102.388 49.0859 102.389 -31.2387 GPRESSURE: 3744800 88.908 86.7281 29.7955 48.9972 -25.4163 58.9395 109.834 -15.9503 11.6667 PRESSAVG: 3744800 -36.6746 0.959744 -36.0427 0.95974 22.518 9.26477 -36.0427 9.26477 -10.7458 GPRESSAVG: 3744800 -36.4891 0.0782917 -35.9405 1.79529 21.0388 8.63923 -38.5227 6.10917 -9.87622 TIMING: 3744800 CPU: 11698.7, 0.00312529/step Wall: 11698.7, 0.00312529/step, 1.08969 hours remaining, 235.660156 MB of memory in use. ENERGY: 3744800 4014.3053 20480.9607 14498.3449 252.2925 -203924.2635 3258.7146 0.0000 0.0000 51700.2151 -109719.4304 297.1218 -161419.6455 -109366.0594 297.7161 -0.6803 25.0528 762623.8580 -8.3008 -8.4422 PRESSURE: 3745000 30.4477 87.3361 146.246 87.3366 29.1478 42.2791 146.245 42.2803 -43.1373 GPRESSURE: 3745000 132.03 139.907 170.601 65.5635 23.6268 -52.1759 -86.1486 105.671 -56.5659 PRESSAVG: 3745000 -3.18414 23.2487 21.0523 23.2487 44.3692 -10.8717 21.0523 -10.8716 2.35628 GPRESSAVG: 3745000 -4.4794 25.5257 21.6698 22.8757 45.9719 -12.1034 19.9558 -11.074 1.93958 TIMING: 3745000 CPU: 11699.3, 0.00312016/step Wall: 11699.3, 0.00312016/step, 1.08772 hours remaining, 235.660156 MB of memory in use. ENERGY: 3745000 3969.7788 20327.0930 14482.2010 253.8447 -203825.8410 3136.8497 0.0000 0.0000 51884.6493 -109771.4245 298.1818 -161656.0738 -109408.3789 297.9652 5.4860 33.0303 763045.1677 14.5138 14.4774 PRESSURE: 3745200 -139.05 -346.733 61.8314 -346.733 -233.666 2.87337 61.8298 2.87283 -335.028 GPRESSURE: 3745200 -173.452 -276.735 135.979 -333.655 -119.749 -19.6877 13.5075 52.8824 -348.048 PRESSAVG: 3745200 40.6178 -5.72521 7.53743 -5.72521 -27.6297 -19.0607 7.53744 -19.0607 17.4943 GPRESSAVG: 3745200 39.3752 -5.82073 6.66411 -6.10391 -26.0828 -16.2686 10.4709 -19.3668 17.7734 TIMING: 3745200 CPU: 11699.9, 0.00310465/step Wall: 11699.9, 0.00310465/step, 1.08214 hours remaining, 235.660156 MB of memory in use. ENERGY: 3745200 3934.7520 20403.1750 14484.9133 244.6476 -203171.7452 2493.0040 0.0000 0.0000 51787.0705 -109824.1828 297.6210 -161611.2532 -109470.1428 297.9468 -235.9145 -213.7498 763391.0621 10.1608 10.3552 PRESSURE: 3745400 -299.988 137.052 102.822 137.051 -166.498 12.7769 102.822 12.7753 2.1171 GPRESSURE: 3745400 -244.044 170.15 80.126 193.055 -55.6111 53.9481 191.517 -33.9398 -70.3172 PRESSAVG: 3745400 2.01992 -46.9352 32.4904 -46.9352 24.3989 1.17488 32.4904 1.17486 -12.2168 GPRESSAVG: 3745400 2.36551 -47.6285 32.3764 -46.9277 23.0698 -1.17614 29.8216 2.39322 -10.8769 TIMING: 3745400 CPU: 11700.5, 0.00310866/step Wall: 11700.5, 0.00310866/step, 1.08337 hours remaining, 235.660156 MB of memory in use. ENERGY: 3745400 3940.4275 20416.7338 14472.7714 275.6810 -203034.1336 2532.5664 0.0000 0.0000 51739.2148 -109656.7388 297.3460 -161395.9536 -109302.5679 298.0890 -154.7897 -123.3241 764430.7640 4.7340 4.8528 PRESSURE: 3745600 -34.0798 -7.00071 115.843 -7.00128 161.133 116.485 115.843 116.485 79.6574 GPRESSURE: 3745600 9.60103 23.2136 146.91 -29.5539 231.768 201.513 103.554 -94.3891 60.9544 PRESSAVG: 3745600 28.7116 4.94866 29.2014 4.94864 15.3298 -26.6685 29.2013 -26.6685 19.1415 GPRESSAVG: 3745600 29.6527 4.11881 29.8905 4.94378 15.1648 -25.4711 29.8741 -26.9538 18.7643 TIMING: 3745600 CPU: 11701.2, 0.00311482/step Wall: 11701.2, 0.00311482/step, 1.08534 hours remaining, 235.660156 MB of memory in use. ENERGY: 3745600 3993.0126 20320.1113 14500.7945 233.5334 -203189.9721 2582.7859 0.0000 0.0000 51738.6853 -109821.0492 297.3429 -161559.7344 -109461.1145 297.8489 68.9036 100.7744 761636.0204 21.0610 21.1940 PRESSURE: 3745800 -471.491 -45.814 -198.69 -45.8146 -80.4407 69.2669 -198.69 69.2665 -84.9085 GPRESSURE: 3745800 -434.482 -103.43 -315.862 -34.9556 -47.5178 32.7424 -212.452 164.905 -67.4074 PRESSAVG: 3745800 -13.39 -39.1441 1.19878 -39.1441 -11.6812 -28.5591 1.1988 -28.5591 -13.4758 GPRESSAVG: 3745800 -15.6566 -39.0442 -0.94001 -38.5325 -8.76088 -29.3283 0.68165 -25.9143 -13.701 TIMING: 3745800 CPU: 11701.8, 0.00312526/step Wall: 11701.8, 0.00312526/step, 1.08881 hours remaining, 235.660156 MB of memory in use. ENERGY: 3745800 4082.4918 20293.7371 14516.2943 236.3775 -203313.1342 2818.6080 0.0000 0.0000 51752.0629 -109613.5626 297.4198 -161365.6254 -109258.0598 298.2007 -212.2802 -183.1359 766450.9712 -12.8490 -12.7061 PRESSURE: 3746000 -149.317 -146.522 127.777 -146.522 -78.9108 -254.229 127.776 -254.229 -31.4851 GPRESSURE: 3746000 -109.454 -235.362 94.337 -202.281 -127.011 -257.159 72.7941 -228.136 54.7859 PRESSAVG: 3746000 -42.9563 -21.7445 45.4052 -21.7445 21.1018 -62.7011 45.4052 -62.7012 1.34783 GPRESSAVG: 3746000 -40.8149 -22.0068 46.9668 -22.0278 19.6037 -62.2098 47.6832 -64.9389 1.10282 TIMING: 3746000 CPU: 11702.4, 0.00313574/step Wall: 11702.4, 0.00313574/step, 1.09228 hours remaining, 235.660156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3746000 3971.0712 20444.9323 14470.2423 235.6399 -203314.6885 2785.1089 0.0000 0.0000 51767.4808 -109640.2131 297.5084 -161407.6939 -109290.0306 298.6175 -86.5708 -60.5598 764831.7377 -6.8355 -6.7028 PRESSURE: 3746200 48.8542 -70.6844 156.382 -70.6856 327.757 279.152 156.382 279.153 108.958 GPRESSURE: 3746200 92.2053 -5.10916 147.698 -11.9724 339.185 272.164 206.575 236.317 140.971 PRESSAVG: 3746200 -52.8697 -62.4039 57.226 -62.4039 50.6576 6.8011 57.2261 6.80105 12.5197 GPRESSAVG: 3746200 -52.9809 -60.6221 56.5637 -62.6996 51.5146 6.14591 56.3722 7.35013 11.7124 TIMING: 3746200 CPU: 11703, 0.00313814/step Wall: 11703, 0.00313814/step, 1.09294 hours remaining, 235.660156 MB of memory in use. ENERGY: 3746200 3990.2459 20533.8629 14495.8217 240.3071 -203532.9214 2899.7424 0.0000 0.0000 51873.1370 -109499.8044 298.1156 -161372.9415 -109139.3008 298.7381 161.8563 190.7871 762847.5448 3.4359 3.4154 PRESSURE: 3746400 159.096 -50.3822 -93.8642 -50.3818 -294.901 47.1926 -93.8654 47.1933 -166.216 GPRESSURE: 3746400 176.084 -51.1007 -49.3404 -167.749 -277.285 -44.7815 -83.1756 39.6321 -130.46 PRESSAVG: 3746400 6.83246 34.2211 -11.8101 34.2211 16.9756 -83.1445 -11.8101 -83.1445 -1.72704 GPRESSAVG: 3746400 6.91224 33.9642 -12.2464 35.1913 15.9534 -84.3118 -11.3858 -83.4262 -0.44723 TIMING: 3746400 CPU: 11703.7, 0.00311418/step Wall: 11703.7, 0.00311418/step, 1.08443 hours remaining, 235.660156 MB of memory in use. ENERGY: 3746400 3963.1113 20657.3996 14500.1897 258.2466 -203570.8821 2761.7900 0.0000 0.0000 52015.1465 -109414.9984 298.9318 -161430.1449 -109052.8567 298.5586 -100.6735 -77.2203 763214.5851 7.3603 7.4728 PRESSURE: 3746600 227.307 -151.377 26.6013 -151.376 232.082 -15.7318 26.6012 -15.7328 103.385 GPRESSURE: 3746600 217.042 -175.015 60.8048 -19.743 237.408 -9.69805 0.571127 49.1944 173.757 PRESSAVG: 3746600 -75.0707 42.2609 19.7144 42.2609 28.9385 -4.00792 19.7144 -4.00797 -10.4488 GPRESSAVG: 3746600 -75.3516 41.812 21.2715 41.0074 28.4943 -3.00411 19.4213 -5.15456 -9.65569 TIMING: 3746600 CPU: 11704.3, 0.00313081/step Wall: 11704.3, 0.00313081/step, 1.09004 hours remaining, 235.660156 MB of memory in use. ENERGY: 3746600 3984.1631 20622.7233 14489.6930 234.7372 -203291.2230 2685.1721 0.0000 0.0000 51808.8331 -109465.9012 297.7461 -161274.7343 -109104.7782 298.3116 187.5911 209.4024 764237.8497 -18.8603 -18.8377 PRESSURE: 3746800 -19.6165 102.411 86.253 102.412 -9.68783 -139.803 86.2526 -139.802 446.422 GPRESSURE: 3746800 54.2135 54.9079 110.363 116.148 46.82 -169.765 16.1229 -82.7773 411.628 PRESSAVG: 3746800 -38.9464 -23.0832 -4.8512 -23.0832 25.881 -58.0654 -4.85119 -58.0654 -2.58959 GPRESSAVG: 3746800 -38.361 -22.4301 -4.83539 -23.4667 26.7689 -59.0425 -5.98517 -55.8875 -3.4182 TIMING: 3746800 CPU: 11704.9, 0.00314089/step Wall: 11704.9, 0.00314089/step, 1.09338 hours remaining, 235.660156 MB of memory in use. ENERGY: 3746800 3977.2040 20607.8911 14457.6748 255.7790 -203307.3088 2660.7724 0.0000 0.0000 51967.5806 -109380.4067 298.6584 -161347.9873 -109014.5779 298.3062 139.0394 170.8870 762506.3822 -5.2183 -5.0034 PRESSURE: 3747000 -225.31 -151.782 -170.267 -151.782 -341.044 -102.468 -170.268 -102.467 -345.496 GPRESSURE: 3747000 -94.8722 -256.777 -232.863 -79.3529 -407.766 -170.856 -69.716 -203.684 -310.301 PRESSAVG: 3747000 1.46781 -18.2232 34.051 -18.2232 53.3301 -19.124 34.051 -19.1239 0.332614 GPRESSAVG: 3747000 0.992143 -19.4647 33.4131 -15.957 52.8531 -17.5969 36.0761 -21.1874 1.24535 TIMING: 3747000 CPU: 11705.5, 0.00311805/step Wall: 11705.5, 0.00311805/step, 1.08526 hours remaining, 235.660156 MB of memory in use. ENERGY: 3747000 4010.3868 20559.9792 14441.1092 244.0495 -203519.0569 2868.4510 0.0000 0.0000 52162.8772 -109232.2041 299.7808 -161395.0812 -108859.6685 298.7619 -303.9501 -270.9800 763710.9862 18.3768 18.3635 PRESSURE: 3747200 152.597 -23.5057 -115.155 -23.506 184.71 238.596 -115.155 238.597 -109.824 GPRESSURE: 3747200 129.817 36.2409 -152.275 16.503 287.115 211.793 -181.707 168.828 -110.632 PRESSAVG: 3747200 -28.0734 32.1481 -30.5083 32.1481 -25.0275 -5.87972 -30.5083 -5.87979 2.35451 GPRESSAVG: 3747200 -28.6288 33.3515 -31.4551 31.6974 -24.859 -6.22296 -30.311 -6.60535 2.15635 TIMING: 3747200 CPU: 11706.2, 0.00314369/step Wall: 11706.2, 0.00314369/step, 1.094 hours remaining, 235.660156 MB of memory in use. ENERGY: 3747200 4023.8073 20557.1272 14412.6037 288.2967 -203501.1444 2929.8945 0.0000 0.0000 52148.3942 -109141.0206 299.6975 -161289.4149 -108782.3222 299.0534 75.8275 102.0999 764330.0011 -16.9155 -17.1105 PRESSURE: 3747400 -326.397 177.493 29.9917 177.493 -194.4 6.97674 29.9912 6.97648 -293.979 GPRESSURE: 3747400 -271.744 237.954 77.4599 109.33 -197.137 3.63414 8.13389 -38.951 -252.062 PRESSAVG: 3747400 -29.9677 10.1319 4.61121 10.1318 47.1512 -82.1275 4.61115 -82.1275 0.0615494 GPRESSAVG: 3747400 -29.459 9.38762 4.19748 9.61949 47.0598 -81.5932 0.128675 -83.0221 -0.0852657 TIMING: 3747400 CPU: 11706.8, 0.00311813/step Wall: 11706.8, 0.00311813/step, 1.08494 hours remaining, 235.660156 MB of memory in use. ENERGY: 3747400 4013.1408 20554.1665 14419.6472 250.3611 -203116.6538 2585.1361 0.0000 0.0000 51821.9368 -109472.2653 297.8214 -161294.2020 -109099.3595 298.5998 -271.5921 -240.3143 764811.5772 5.7483 5.8385 PRESSURE: 3747600 -210.6 99.6593 -93.327 99.6598 -231.457 19.5798 -93.3269 19.5801 -173.512 GPRESSURE: 3747600 -126.362 110.629 -25.8055 69.1787 -183.235 61.5111 53.4303 -131.963 -211.153 PRESSAVG: 3747600 -77.774 18.6674 19.2385 18.6673 21.6981 1.17849 19.2385 1.17834 -14.3266 GPRESSAVG: 3747600 -77.6437 18.167 19.9777 19.3747 22.0947 1.45415 22.1445 2.56698 -15.1113 TIMING: 3747600 CPU: 11707.4, 0.00313753/step Wall: 11707.4, 0.00313753/step, 1.09151 hours remaining, 235.660156 MB of memory in use. ENERGY: 3747600 3990.8419 20349.0744 14417.5765 225.4506 -203078.4675 2556.3274 0.0000 0.0000 51999.4388 -109539.7579 298.8415 -161539.1967 -109175.6239 298.3206 -205.1896 -173.5833 764003.0658 -23.4675 -23.5534 PRESSURE: 3747800 29.6812 287.855 56.9405 287.855 282.571 -232.586 56.9405 -232.587 134.094 GPRESSURE: 3747800 12.4624 202.376 44.8421 154.567 318.166 -198.595 -32.2975 -206.882 202.457 PRESSAVG: 3747800 -48.8547 20.1604 42.6796 20.1605 96.5702 36.1239 42.6795 36.1239 -8.79644 GPRESSAVG: 3747800 -49.1937 19.715 43.8 21.1293 97.0785 34.7043 40.9674 36.7883 -8.76578 TIMING: 3747800 CPU: 11708, 0.00312865/step Wall: 11708, 0.00312865/step, 1.08825 hours remaining, 235.660156 MB of memory in use. ENERGY: 3747800 3907.3837 20460.2171 14421.9461 260.1366 -203399.7873 2798.5154 0.0000 0.0000 51890.7628 -109660.8256 298.2169 -161551.5884 -109297.9853 297.9732 148.7821 177.6952 762463.1343 12.9730 13.0397 PRESSURE: 3748000 -330.701 81.6229 -237.929 81.6227 -81.7899 284.923 -237.929 284.924 -75.1003 GPRESSURE: 3748000 -308.618 102.383 -292.478 118.221 6.15776 235.046 -180.101 94.3924 -102.296 PRESSAVG: 3748000 -21.7667 27.0018 34.2281 27.0018 56.8611 -19.1048 34.2281 -19.1049 -11.7486 GPRESSAVG: 3748000 -21.83 30.8269 33.3158 24.3802 56.9473 -17.1559 36.343 -20.1415 -12.0497 TIMING: 3748000 CPU: 11708.7, 0.00313279/step Wall: 11708.7, 0.00313279/step, 1.08951 hours remaining, 235.660156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3748000 3943.9557 20529.6664 14413.3000 234.1560 -203349.2903 2725.7554 0.0000 0.0000 51951.2598 -109551.1970 298.5646 -161502.4568 -109192.7867 298.1679 -162.5304 -134.9185 761757.1824 7.7819 7.6892 PRESSURE: 3748200 -129.161 133.126 96.7334 133.126 -61.6162 -133.872 96.7329 -133.872 -303.289 GPRESSURE: 3748200 -131.326 103.099 66.2498 54.0226 -20.5884 -170.629 229.093 4.79332 -246.189 PRESSAVG: 3748200 35.7718 22.8585 -11.9353 22.8585 2.49147 41.4512 -11.9352 41.4511 0.406536 GPRESSAVG: 3748200 35.987 20.8761 -10.3602 24.5887 2.00104 38.756 -13.5866 43.7023 0.799791 TIMING: 3748200 CPU: 11709.3, 0.00314789/step Wall: 11709.3, 0.00314789/step, 1.09459 hours remaining, 235.660156 MB of memory in use. ENERGY: 3748200 3933.4423 20317.0076 14412.1835 236.5693 -203300.9401 2775.0787 0.0000 0.0000 51977.2434 -109649.4154 298.7139 -161626.6588 -109285.4456 298.0744 -164.6888 -132.7012 763504.4824 12.8899 12.9293 LDB: ============= START OF LOAD BALANCING ============== 11721.8 LDB: ============== END OF LOAD BALANCING =============== 11721.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11721.8 LDB: ============= START OF LOAD BALANCING ============== 11722.1 LDB: Largest compute 6990 load 0.027901 is 14.3% of average load 0.195249 LDB: Average compute 0.004382 is 2.2% of average load 0.195249 LDB: TIME 11722.1 LOAD: AVG 0.195249 MAX 0.214956 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.809 MB LDB: TIME 11722.1 LOAD: AVG 0.195249 MAX 0.214956 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.812 MB LDB: TIME 11722.1 LOAD: AVG 0.195249 MAX 0.214956 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.812 MB LDB: ============== END OF LOAD BALANCING =============== 11722.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11722.1 PRESSURE: 3748400 227.57 -54.4457 75.6774 -54.4463 95.6327 -149.989 75.6765 -149.988 -318.436 GPRESSURE: 3748400 252.487 -3.04163 51.9587 -37.8672 128.843 -156.446 62.3219 -79.82 -270.928 PRESSAVG: 3748400 40.9398 -38.6156 52.9679 -38.6157 -42.1807 -13.3863 52.9678 -13.3863 2.60892 GPRESSAVG: 3748400 40.6576 -39.4294 51.9933 -40.0229 -42.3552 -13.044 53.9556 -13.2323 3.45079 TIMING: 3748400 CPU: 11709.9, 0.00322334/step Wall: 11709.9, 0.00322334/step, 1.12065 hours remaining, 234.519531 MB of memory in use. ENERGY: 3748400 4036.2623 20511.6890 14413.3015 241.5398 -203835.7645 3185.4861 0.0000 0.0000 52140.4765 -109307.0094 299.6520 -161447.4859 -108953.5817 298.4475 1.5889 36.8006 761272.1837 0.4560 0.5844 PRESSURE: 3748600 278.995 -15.4483 -14.4145 -15.4482 -328.664 149.695 -14.414 149.695 66.2496 GPRESSURE: 3748600 224.154 -108.76 -115.517 -20.3565 -287.485 158.727 114.925 109.075 170.626 PRESSAVG: 3748600 -7.74091 31.3893 37.8352 31.3893 35.105 34.3785 37.8353 34.3785 13.8896 GPRESSAVG: 3748600 -8.13717 32.645 38.4019 32.6796 35.1039 35.1416 36.3319 32.4481 13.9184 TIMING: 3748600 CPU: 11710.6, 0.0031098/step Wall: 11710.6, 0.0031098/step, 1.081 hours remaining, 234.585938 MB of memory in use. ENERGY: 3748600 3964.7707 20331.2739 14377.7454 242.7312 -203348.9276 2864.1017 0.0000 0.0000 52020.3305 -109547.9742 298.9616 -161568.3047 -109189.0793 298.3387 5.5269 35.7651 762419.3494 13.7512 13.6284 PRESSURE: 3748800 -347.146 334.932 5.9845 334.932 -232.234 -314.778 5.98462 -314.778 47.5281 GPRESSURE: 3748800 -261.509 212.709 63.3208 300.332 -220.384 -327.379 45.7508 -320.144 44.2476 PRESSAVG: 3748800 20.8306 5.92188 46.677 5.92185 -32.2124 24.066 46.677 24.0659 6.11993 GPRESSAVG: 3748800 22.2615 3.74346 45.2896 5.11176 -32.7239 23.9954 49.1893 26.3575 5.16303 TIMING: 3748800 CPU: 11711.2, 0.00310699/step Wall: 11711.2, 0.00310699/step, 1.07985 hours remaining, 234.585938 MB of memory in use. ENERGY: 3748800 3973.8370 20378.0813 14463.4920 243.9187 -203019.6094 2406.6545 0.0000 0.0000 52069.9920 -109483.6339 299.2470 -161553.6259 -109112.7196 298.5261 -177.2839 -145.8816 761662.6308 -1.7540 -1.7665 PRESSURE: 3749000 -112.79 -55.7457 -142.492 -55.7452 -193.782 -17.8774 -142.492 -17.8773 -187.658 GPRESSURE: 3749000 -4.6224 0.937395 -120.091 -106.647 -108.155 -108.154 -251.769 -34.7563 -270.773 PRESSAVG: 3749000 -18.1897 5.73725 -15.2177 5.73725 38.8549 -2.02174 -15.2178 -2.02177 -22.5969 GPRESSAVG: 3749000 -17.8279 7.96698 -15.6472 5.41379 39.528 -0.918964 -15.299 -3.56441 -23.4893 TIMING: 3749000 CPU: 11711.8, 0.00310293/step Wall: 11711.8, 0.00310293/step, 1.07827 hours remaining, 234.585938 MB of memory in use. ENERGY: 3749000 4012.6369 20386.3515 14448.8201 247.4430 -203213.8551 2724.3222 0.0000 0.0000 52168.2850 -109225.9964 299.8119 -161394.2814 -108870.8885 299.1736 -164.7435 -127.8500 762868.0628 -0.6439 -0.5964 PRESSURE: 3749200 -10.991 -56.348 -199.738 -56.3484 22.6919 -62.7163 -199.738 -62.7163 67.7975 GPRESSURE: 3749200 97.6224 -117.236 -119.69 -83.1585 4.52409 -103.277 -145.12 19.4294 59.9304 PRESSAVG: 3749200 -16.4335 -30.3423 -45.4543 -30.3424 -15.566 7.27794 -45.4543 7.27799 -15.6597 GPRESSAVG: 3749200 -17.085 -31.7887 -44.9951 -29.5803 -14.6499 7.46334 -46.7504 8.35038 -15.3063 TIMING: 3749200 CPU: 11712.4, 0.00312775/step Wall: 11712.4, 0.00312775/step, 1.08672 hours remaining, 234.585938 MB of memory in use. ENERGY: 3749200 3911.2823 20496.1884 14420.9279 238.2955 -203178.6487 2440.9487 0.0000 0.0000 52209.0862 -109461.9198 300.0463 -161671.0061 -109105.7078 299.1558 26.4995 54.0256 761372.7353 -15.8864 -15.6804 PRESSURE: 3749400 133.508 -247.163 -62.9855 -247.162 241.449 -194.909 -62.9858 -194.909 -206.676 GPRESSURE: 3749400 134.005 -219.813 -142.071 -170.8 218.409 -205.225 2.34048 -238.301 -124.67 PRESSAVG: 3749400 23.8929 -14.0514 38.7232 -14.0514 10.7067 30.9187 38.7232 30.9187 -24.7529 GPRESSAVG: 3749400 23.2908 -12.9821 39.0887 -13.8999 8.86832 28.3906 40.8746 29.3335 -22.5091 TIMING: 3749400 CPU: 11713.1, 0.00311633/step Wall: 11713.1, 0.00311632/step, 1.08258 hours remaining, 234.585938 MB of memory in use. ENERGY: 3749400 4096.6971 20438.9427 14462.8374 245.1731 -203508.6456 2835.5637 0.0000 0.0000 52261.6427 -109167.7889 300.3484 -161429.4316 -108806.2701 299.1806 56.0937 75.9147 761522.3716 3.2823 3.2167 PRESSURE: 3749600 -137.894 109.136 169.968 109.135 154.857 139.972 169.967 139.972 -82.7269 GPRESSURE: 3749600 -88.4897 11.1618 135.094 -18.5465 174.031 64.6499 167.818 168.45 -56.4709 PRESSAVG: 3749600 -63.6002 -54.9919 30.9599 -54.992 -26.4766 19.3276 30.9599 19.3277 6.29408 GPRESSAVG: 3749600 -62.4908 -58.0146 30.9275 -54.9055 -26.8889 19.0518 27.8112 21.4288 5.46976 TIMING: 3749600 CPU: 11713.7, 0.00312766/step Wall: 11713.7, 0.00312766/step, 1.08634 hours remaining, 234.585938 MB of memory in use. ENERGY: 3749600 4088.0153 20325.7660 14463.1458 231.9328 -203160.6881 2716.3888 0.0000 0.0000 52005.4127 -109330.0268 298.8758 -161335.4394 -108970.6048 299.1729 -21.9213 9.6900 762673.9291 -27.9275 -27.9700 PRESSURE: 3749800 -243.283 -139.614 175.1 -139.614 -127.669 44.9756 175.1 44.9747 -166.838 GPRESSURE: 3749800 -286.284 0.177747 158.323 -198.023 -14.3341 -16.4018 228.84 42.6674 -162.137 PRESSAVG: 3749800 39.5876 -20.1418 33.5186 -20.1418 -7.3863 4.38078 33.5185 4.38079 19.2824 GPRESSAVG: 3749800 37.6886 -20.3349 35.4147 -20.6643 -5.5836 5.12568 32.5467 2.76508 19.2442 TIMING: 3749800 CPU: 11714.3, 0.00313635/step Wall: 11714.3, 0.00313635/step, 1.08918 hours remaining, 234.585938 MB of memory in use. ENERGY: 3749800 3991.2335 20554.1091 14491.1868 263.0003 -202905.8596 2473.1440 0.0000 0.0000 51837.6003 -109295.5856 297.9114 -161133.1859 -108935.5257 299.0448 -179.2636 -154.2515 763748.5870 17.1612 17.1164 PRESSURE: 3750000 -33.397 196.047 109.272 196.046 -116.261 135.275 109.273 135.274 105.574 GPRESSURE: 3750000 -78.9663 192.266 117.282 120.171 -22.1565 103.19 153.525 79.1416 138.194 PRESSAVG: 3750000 -19.9819 21.2354 74.4219 21.2354 2.91173 22.0939 74.422 22.0939 -6.40059 GPRESSAVG: 3750000 -19.4799 22.1209 73.3482 21.0428 2.14111 22.2637 78.3245 21.2648 -5.7005 TIMING: 3750000 CPU: 11714.9, 0.00312953/step Wall: 11714.9, 0.00312953/step, 1.08664 hours remaining, 234.585938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3750000 3930.4507 20594.3437 14434.7742 266.8297 -203569.7785 2861.5170 0.0000 0.0000 51902.1781 -109579.6850 298.2825 -161481.8631 -109219.2365 298.7036 -14.6947 12.3572 760618.4339 -7.8236 -7.6798 PRESSURE: 3750200 -261.73 -58.7892 -55.8654 -58.7892 -285.309 159.382 -55.8665 159.383 -133.995 GPRESSURE: 3750200 -210.681 -40.6944 -124.728 14.6072 -257.184 270.201 -107.316 174.813 -111.346 PRESSAVG: 3750200 -28.112 -18.9243 -4.48712 -18.9243 -8.26109 57.3706 -4.48713 57.3705 -2.84653 GPRESSAVG: 3750200 -26.5573 -19.7439 -3.94544 -16.8343 -7.84006 57.6698 -6.59254 57.5053 -4.48046 TIMING: 3750200 CPU: 11715.6, 0.00315178/step Wall: 11715.6, 0.00315178/step, 1.09419 hours remaining, 234.585938 MB of memory in use. ENERGY: 3750200 4012.1251 20513.3389 14418.0804 246.8873 -203321.1081 2701.1929 0.0000 0.0000 51973.1720 -109456.3114 298.6905 -161429.4835 -109097.4838 298.6772 -227.0111 -193.0703 762595.7960 -13.0732 -12.9593 PRESSURE: 3750400 -195.585 191.24 8.38749 191.239 -9.72055 -151.146 8.38751 -151.147 -99.7952 GPRESSURE: 3750400 -185.995 225.777 65.9759 147.866 43.5562 -145.555 136.801 -204.455 -97.8938 PRESSAVG: 3750400 3.50661 25.6142 -40.4201 25.6142 -32.5977 28.754 -40.4202 28.7539 13.7579 GPRESSAVG: 3750400 3.68055 26.3474 -41.0521 25.3035 -32.474 28.768 -38.5736 27.2737 14.4193 TIMING: 3750400 CPU: 11716.2, 0.00314786/step Wall: 11716.2, 0.00314786/step, 1.09266 hours remaining, 234.585938 MB of memory in use. ENERGY: 3750400 4033.7399 20597.6055 14481.7782 238.1585 -203251.5444 2334.1205 0.0000 0.0000 51900.2882 -109665.8536 298.2717 -161566.1418 -109313.8798 298.5469 -101.7004 -80.1109 761617.5363 -5.1111 -4.7914 PRESSURE: 3750600 385.334 121.169 237.591 121.169 -140.428 -15.2409 237.591 -15.241 -322.822 GPRESSURE: 3750600 302.876 80.1393 170.207 148.001 -10.7169 88.0259 224.879 -0.689341 -278.428 PRESSAVG: 3750600 2.08307 42.7165 12.5912 42.7165 7.44775 17.8315 12.5912 17.8316 -8.76827 GPRESSAVG: 3750600 0.536471 42.7909 11.8181 42.2548 7.83466 15.6944 14.3046 21.0335 -7.05229 TIMING: 3750600 CPU: 11716.8, 0.00313269/step Wall: 11716.8, 0.00313269/step, 1.08722 hours remaining, 234.585938 MB of memory in use. ENERGY: 3750600 3957.0338 20427.3934 14429.7673 263.6170 -203371.1436 2703.1435 0.0000 0.0000 51916.6740 -109673.5146 298.3658 -161590.1887 -109317.5445 298.8126 -25.9721 4.5771 760630.0658 0.2542 0.4396 PRESSURE: 3750800 -515.894 135.832 167.213 135.832 -438.793 -6.18175 167.213 -6.18373 -273.582 GPRESSURE: 3750800 -449.254 117.742 251.268 151.077 -415.202 49.3273 167.726 20.3174 -287.124 PRESSAVG: 3750800 22.7083 -18.4909 9.54196 -18.4909 -46.7196 0.948536 9.54197 0.948552 -11.0359 GPRESSAVG: 3750800 24.0584 -19.1296 9.82452 -17.1389 -46.4242 2.34493 8.90209 0.342025 -12.5754 TIMING: 3750800 CPU: 11717.4, 0.00311717/step Wall: 11717.4, 0.00311717/step, 1.08166 hours remaining, 234.585938 MB of memory in use. ENERGY: 3750800 4029.9910 20476.8531 14354.6517 234.0507 -202842.6876 2149.9748 0.0000 0.0000 51665.7741 -109931.3923 296.9239 -161597.1663 -109570.3892 298.1961 -409.4230 -383.8598 763277.3577 -11.6824 -11.6470 PRESSURE: 3751000 -112.592 41.7779 198.114 41.7773 39.1174 -144.616 198.113 -144.616 25.6611 GPRESSURE: 3751000 -25.3524 -59.9343 179.246 -36.0883 -72.6213 -258.373 33.5928 -78.7099 121.495 PRESSAVG: 3751000 -26.9802 21.4255 47.8532 21.4255 -4.57297 -45.0177 47.8533 -45.0177 12.0048 GPRESSAVG: 3751000 -27.4327 21.4734 47.5795 20.2066 -5.87124 -46.0175 46.3956 -44.3029 13.6707 TIMING: 3751000 CPU: 11718.1, 0.00313462/step Wall: 11718.1, 0.00313462/step, 1.08754 hours remaining, 234.640625 MB of memory in use. ENERGY: 3751000 3998.9406 20617.7454 14438.7005 235.0945 -203506.1804 2922.5280 0.0000 0.0000 51621.1851 -109671.9862 296.6677 -161293.1713 -109323.2779 297.7476 -15.9378 7.8405 762704.8274 -6.5161 -6.5444 PRESSURE: 3751200 -170.556 84.5046 53.2448 84.5055 -24.3719 -14.623 53.244 -14.6239 -16.1926 GPRESSURE: 3751200 -108.378 54.2833 9.54537 25.3381 12.6539 -14.3786 16.6297 107.138 -30.9007 PRESSAVG: 3751200 15.6665 40.2007 29.7848 40.2007 -21.6039 -31.7267 29.7848 -31.7268 -19.2038 GPRESSAVG: 3751200 15.5405 41.815 30.6394 38.8186 -19.7653 -31.8602 29.4792 -33.3556 -20.7359 TIMING: 3751200 CPU: 11718.7, 0.00311848/step Wall: 11718.7, 0.00311848/step, 1.08176 hours remaining, 234.640625 MB of memory in use. ENERGY: 3751200 4052.8925 20611.5494 14444.3168 244.1064 -203661.8384 3013.4903 0.0000 0.0000 51717.3491 -109578.1339 297.2203 -161295.4830 -109226.6793 298.6658 -70.3734 -42.2081 761551.5143 -8.3804 -8.3202 PRESSURE: 3751400 -175.587 -76.2611 141.668 -76.2616 30.3265 -224.052 141.669 -224.052 -231.008 GPRESSURE: 3751400 -92.6974 42.0808 142.22 -11.9736 52.8024 -182.597 101.49 -148.881 -241.538 PRESSAVG: 3751400 37.6277 50.4054 25.8935 50.4053 20.1221 -28.4018 25.8934 -28.4017 -12.0885 GPRESSAVG: 3751400 39.1011 48.6474 26.9308 52.3061 19.3725 -27.5463 25.8138 -26.441 -12.4018 TIMING: 3751400 CPU: 11719.3, 0.00312123/step Wall: 11719.3, 0.00312123/step, 1.08255 hours remaining, 234.640625 MB of memory in use. ENERGY: 3751400 4086.7120 20505.2427 14374.2438 240.1690 -203408.6130 2646.3019 0.0000 0.0000 52039.6030 -109516.3407 299.0723 -161555.9437 -109159.4344 298.8001 -125.4227 -93.8109 760446.0022 15.2204 15.3572 PRESSURE: 3751600 -327.081 32.9177 160.082 32.9185 -203.743 -123.61 160.083 -123.608 -83.0567 GPRESSURE: 3751600 -228.879 -40.766 132.805 -2.69909 -208.48 -151.697 283.532 -178.353 -84.1255 PRESSAVG: 3751600 13.309 -34.4085 47.4608 -34.4085 0.80158 -22.2596 47.4608 -22.2597 28.0415 GPRESSAVG: 3751600 11.8091 -33.0546 46.5204 -35.0876 0.856142 -23.4125 47.7409 -23.6251 28.9892 TIMING: 3751600 CPU: 11719.9, 0.0031136/step Wall: 11719.9, 0.0031136/step, 1.07973 hours remaining, 234.640625 MB of memory in use. ENERGY: 3751600 4030.9172 20486.3731 14447.0561 237.0082 -203434.4962 2837.3554 0.0000 0.0000 51981.9287 -109413.8576 298.7409 -161395.7862 -109041.2644 299.1651 -204.6269 -173.8284 761702.8839 14.0507 13.8848 PRESSURE: 3751800 46.9763 -106.727 -61.2852 -106.727 50.443 136.295 -61.2852 136.296 240.509 GPRESSURE: 3751800 -9.5827 -29.2511 -93.7464 -120.976 111.359 37.7378 -132.375 171.24 333.51 PRESSAVG: 3751800 -10.4229 -0.0624288 -8.10491 -0.0624223 -19.4749 -37.4777 -8.10485 -37.4776 12.985 GPRESSAVG: 3751800 -10.4044 0.394266 -7.47336 0.384471 -19.0371 -37.4401 -8.60068 -39.5563 12.8745 TIMING: 3751800 CPU: 11720.6, 0.00312603/step Wall: 11720.6, 0.00312603/step, 1.08386 hours remaining, 234.640625 MB of memory in use. ENERGY: 3751800 3985.7262 20526.3767 14387.0935 232.5299 -203141.0430 2563.7899 0.0000 0.0000 52001.6692 -109443.8576 298.8543 -161445.5269 -109076.2104 299.1154 112.6428 145.0952 760987.9506 -5.6376 -5.5223 PRESSURE: 3752000 216.764 106.04 -136.793 106.04 -29.7115 57.4008 -136.792 57.4006 184.43 GPRESSURE: 3752000 171.201 165.685 -37.6469 198.281 75.47 143.146 -216.982 206.148 182.71 PRESSAVG: 3752000 -25.9833 17.2642 -54.7176 17.2642 -7.07318 -14.9564 -54.7177 -14.9565 7.34362 GPRESSAVG: 3752000 -25.8104 15.674 -54.9201 17.7525 -8.08101 -13.9814 -53.7467 -12.0687 7.66993 TIMING: 3752000 CPU: 11721.2, 0.00312819/step Wall: 11721.2, 0.00312819/step, 1.08444 hours remaining, 234.640625 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: 3752000 3965.5375 20586.3683 14387.1524 234.6112 -203286.7681 2731.3709 0.0000 0.0000 51877.3723 -109504.3555 298.1400 -161381.7277 -109137.4384 299.0112 123.8273 143.1269 761383.9411 -8.5710 -8.7405 PRESSURE: 3752200 42.2777 117.805 -0.946564 117.805 377.52 27.9834 -0.946578 27.984 380.267 GPRESSURE: 3752200 216.631 -9.80556 16.3502 251.028 282.678 50.0988 7.61567 -43.2153 386.107 PRESSAVG: 3752200 10.9999 9.06381 13.9525 9.0638 31.4316 -3.18386 13.9525 -3.18381 5.36506 GPRESSAVG: 3752200 12.3127 11.1153 14.6533 8.53428 31.172 -3.96135 12.7228 -4.78563 4.71209 TIMING: 3752200 CPU: 11721.8, 0.00312814/step Wall: 11721.8, 0.00312814/step, 1.08425 hours remaining, 234.640625 MB of memory in use. ENERGY: 3752200 3955.3315 20547.2192 14420.8823 241.5689 -203743.7594 2850.6451 0.0000 0.0000 52055.4253 -109672.6871 299.1632 -161728.1125 -109313.6749 298.6398 266.6882 295.1387 760577.5674 15.9322 16.0656 LDB: ============= START OF LOAD BALANCING ============== 11734.3 LDB: ============== END OF LOAD BALANCING =============== 11734.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11734.3 LDB: ============= START OF LOAD BALANCING ============== 11734.6 LDB: Largest compute 6998 load 0.029002 is 14.8% of average load 0.195323 LDB: Average compute 0.004376 is 2.2% of average load 0.195323 LDB: TIME 11734.6 LOAD: AVG 0.195323 MAX 0.219195 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.246 MB LDB: TIME 11734.6 LOAD: AVG 0.195323 MAX 0.219195 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.25 MB LDB: TIME 11734.6 LOAD: AVG 0.195323 MAX 0.215901 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.25 MB LDB: ============== END OF LOAD BALANCING =============== 11734.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11734.6 PRESSURE: 3752400 209.561 -4.54751 -109.534 -4.54793 312.488 -204.621 -109.533 -204.621 110.554 GPRESSURE: 3752400 319.633 10.9948 -74.1004 -76.6242 301.338 -234.885 -144.723 -164.203 129.237 PRESSAVG: 3752400 -16.8804 19.2735 3.34053 19.2736 28.6425 23.8473 3.34048 23.8474 14.6717 GPRESSAVG: 3752400 -17.5233 18.4506 3.95781 20.229 28.379 23.5728 2.97385 24.7558 15.5536 TIMING: 3752400 CPU: 11722.5, 0.00320801/step Wall: 11722.5, 0.00320801/step, 1.11175 hours remaining, 234.773438 MB of memory in use. ENERGY: 3752400 3996.4891 20427.4329 14455.8529 245.3666 -203525.5456 2981.7720 0.0000 0.0000 51928.6024 -109490.0297 298.4344 -161418.6320 -109136.4488 298.8765 210.8680 250.0691 762114.9330 8.8113 8.8031 PRESSURE: 3752600 304.194 53.3269 -71.0512 53.3267 295.544 -24.1945 -71.0514 -24.1959 28.4909 GPRESSURE: 3752600 293.373 16.6727 -81.387 34.5171 369.468 -81.1239 -97.5501 -38.9701 48.0114 PRESSAVG: 3752600 -77.2738 3.34834 -44.3624 3.3483 37.1162 19.9597 -44.3624 19.9598 -15.4465 GPRESSAVG: 3752600 -78.5634 2.46162 -46.0675 3.8288 38.8188 20.2534 -43.2335 19.8258 -16.1638 TIMING: 3752600 CPU: 11723.1, 0.0031499/step Wall: 11723.1, 0.0031499/step, 1.09144 hours remaining, 234.773438 MB of memory in use. ENERGY: 3752600 3953.4808 20452.5193 14441.4447 249.3804 -203864.3526 3068.1709 0.0000 0.0000 52280.4793 -109418.8771 300.4566 -161699.3565 -109056.7905 298.9813 209.4097 236.9506 763436.8611 -18.5347 -18.6362 PRESSURE: 3752800 -113.675 96.7462 70.6694 96.7461 63.9706 43.8278 70.6685 43.8282 -115.78 GPRESSURE: 3752800 -25.9397 161.477 91.2964 129.125 23.1343 -19.8162 174.999 40.2407 -79.412 PRESSAVG: 3752800 12.9657 -2.16951 -12.1721 -2.16948 4.51276 33.4727 -12.172 33.4727 11.8531 GPRESSAVG: 3752800 13.3665 -2.13209 -11.4029 -3.31638 3.79918 34.0245 -10.9742 34.5528 12.4168 TIMING: 3752800 CPU: 11723.7, 0.00315904/step Wall: 11723.7, 0.00315904/step, 1.09443 hours remaining, 234.773438 MB of memory in use. ENERGY: 3752800 4032.3694 20740.4237 14441.2723 241.6667 -203729.5527 2943.5241 0.0000 0.0000 52092.4365 -109237.8601 299.3759 -161330.2966 -108881.4639 299.4555 -55.1613 -27.4058 763065.5784 9.7772 9.8608 PRESSURE: 3753000 -159.138 -22.7381 57.6994 -22.7375 -388.977 47.8608 57.6988 47.8617 -315.409 GPRESSURE: 3753000 -288.658 -13.563 136.399 -87.6284 -270.246 22.1648 58.1356 -9.96566 -235.684 PRESSAVG: 3753000 -32.8884 4.55839 38.4296 4.55829 -6.09514 -18.7269 38.4296 -18.7269 16.9433 GPRESSAVG: 3753000 -33.1063 4.79346 38.2829 3.89554 -6.06297 -17.5371 39.0997 -19.8182 17.7295 TIMING: 3753000 CPU: 11724.4, 0.00316895/step Wall: 11724.4, 0.00316895/step, 1.09769 hours remaining, 234.773438 MB of memory in use. ENERGY: 3753000 3992.6372 20519.6590 14454.2383 238.5843 -203195.2811 2679.0956 0.0000 0.0000 51969.2803 -109341.7863 298.6682 -161311.0666 -108970.6224 299.2993 -287.8416 -264.8627 764636.7393 -7.3467 -7.1466 PRESSURE: 3753200 36.2313 -91.2801 -44.4809 -91.28 -212.299 207.112 -44.4812 207.113 -150.26 GPRESSURE: 3753200 -42.9444 -61.8615 -51.9248 -58.6443 -71.7302 263.822 -99.1739 176.136 -118.779 PRESSAVG: 3753200 -20.205 -43.1151 -4.92213 -43.1152 31.6266 9.85047 -4.92216 9.85054 8.39746 GPRESSAVG: 3753200 -20.2828 -43.8868 -4.41942 -42.0868 31.9013 9.8086 -5.29082 9.3575 8.68332 TIMING: 3753200 CPU: 11725, 0.00316952/step Wall: 11725, 0.00316952/step, 1.09771 hours remaining, 234.773438 MB of memory in use. ENERGY: 3753200 3981.7979 20619.6072 14452.6068 225.2090 -203645.3881 3018.7978 0.0000 0.0000 52099.0107 -109248.3587 299.4137 -161347.3694 -108889.6277 299.4641 -108.7758 -77.8179 764215.4026 6.6063 6.7673 PRESSURE: 3753400 247.184 41.6266 57.1386 41.6257 520.656 75.5232 57.1385 75.5238 -25.9117 GPRESSURE: 3753400 291.532 -120.604 -18.5401 25.51 470.079 41.3701 26.0065 34.9098 26.1564 PRESSAVG: 3753400 -36.1376 -74.0474 -0.337058 -74.0474 10.3748 -6.18122 -0.337048 -6.18125 42.1114 GPRESSAVG: 3753400 -35.0058 -74.3075 -3.23448 -74.4647 10.2868 -5.78874 -0.766212 -5.11428 41.117 TIMING: 3753400 CPU: 11725.6, 0.0031564/step Wall: 11725.6, 0.0031564/step, 1.09299 hours remaining, 234.773438 MB of memory in use. ENERGY: 3753400 3999.9241 20541.1191 14472.7805 261.0440 -203399.4703 2874.5688 0.0000 0.0000 52105.5073 -109144.5265 299.4511 -161250.0338 -108780.6737 299.5923 247.3092 262.5889 764078.8792 5.4495 5.4660 PRESSURE: 3753600 6.09341 -79.5516 78.4953 -79.551 -76.5712 241.292 78.4953 241.293 329.025 GPRESSURE: 3753600 59.9823 -51.5179 45.1931 -41.0101 9.03068 285.223 19.013 54.8519 272.807 PRESSAVG: 3753600 -50.6405 -41.5386 -28.9033 -41.5385 60.1193 5.48318 -28.9033 5.48317 -24.6772 GPRESSAVG: 3753600 -51.9481 -39.5651 -27.7588 -41.6878 61.1494 6.54244 -30.9805 2.81636 -24.2927 TIMING: 3753600 CPU: 11726.3, 0.00315978/step Wall: 11726.3, 0.00315978/step, 1.09399 hours remaining, 234.773438 MB of memory in use. ENERGY: 3753600 4008.6717 20463.6999 14424.8486 224.9139 -203461.0057 3030.8548 0.0000 0.0000 52215.4190 -109092.5977 300.0827 -161308.0167 -108727.4989 299.6018 86.1825 113.9400 763524.7579 -5.0662 -5.0305 PRESSURE: 3753800 214.965 57.3822 -225.492 57.3825 57.2827 -97.8084 -225.491 -97.8083 330.833 GPRESSURE: 3753800 144.606 178.702 -211.938 98.3511 96.073 -198.171 -238.45 -47.677 429.52 PRESSAVG: 3753800 19.8015 15.2823 -27.5583 15.2824 -51.0546 69.0034 -27.5582 69.0034 -6.8243 GPRESSAVG: 3753800 19.6114 12.7872 -25.3318 16.5142 -51.7037 67.9719 -28.1765 69.6747 -6.28469 TIMING: 3753800 CPU: 11726.9, 0.00314344/step Wall: 11726.9, 0.00314344/step, 1.08815 hours remaining, 234.773438 MB of memory in use. ENERGY: 3753800 3960.4645 20594.0678 14408.6185 268.8808 -203127.8554 2841.6083 0.0000 0.0000 51931.6142 -109122.6013 298.4517 -161054.2155 -108762.4878 299.3024 201.0267 223.3995 764675.7201 -12.6925 -12.7923 PRESSURE: 3754000 184.667 -61.8975 231.033 -61.8975 37.0204 126.768 231.033 126.768 -239.872 GPRESSURE: 3754000 188.429 0.0826627 231.249 -90.8221 81.078 202.552 208.027 109 -209.645 PRESSAVG: 3754000 45.8106 -54.5556 41.6349 -54.5557 -53.4594 31.5708 41.6349 31.5708 7.96045 GPRESSAVG: 3754000 47.0282 -52.7941 40.0973 -55.2451 -53.5703 30.2386 43.8776 32.2544 7.10063 TIMING: 3754000 CPU: 11727.5, 0.00314372/step Wall: 11727.5, 0.00314372/step, 1.08808 hours remaining, 234.773438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3754000 3929.2094 20541.0707 14429.1757 252.0828 -203078.7180 2688.9654 0.0000 0.0000 52028.8673 -109209.3469 299.0106 -161238.2142 -108858.1402 298.7384 -6.0614 19.9541 764619.6823 0.1039 0.1862 PRESSURE: 3754200 -21.6869 4.73289 -23.0043 4.73293 394.912 45.75 -23.0038 45.7499 247.254 GPRESSURE: 3754200 30.0742 38.3975 36.9201 -80.4919 434.982 24.3337 -5.14642 154.439 233.897 PRESSAVG: 3754200 28.8899 -75.0695 34.8527 -75.0696 -42.0526 -20.4869 34.8527 -20.4869 -5.09074 GPRESSAVG: 3754200 29.1114 -77.8708 35.4817 -76.4959 -40.8785 -20.1561 34.4511 -19.9287 -5.98948 TIMING: 3754200 CPU: 11728.1, 0.00314571/step Wall: 11728.1, 0.0031457/step, 1.08859 hours remaining, 234.773438 MB of memory in use. ENERGY: 3754200 3975.8614 20617.4361 14478.5795 275.0625 -203592.1589 3071.2421 0.0000 0.0000 51933.5551 -109240.4221 298.4629 -161173.9773 -108885.8050 298.7340 206.8263 232.9843 761977.1384 -6.0845 -5.9189 PRESSURE: 3754400 -123.295 -84.6175 86.5722 -84.6171 291.558 227.192 86.5719 227.191 -333.166 GPRESSURE: 3754400 69.0375 -144.226 78.8573 85.0963 185.559 139.09 -10.7075 273.821 -328.257 PRESSAVG: 3754400 -25.194 -35.701 17.3371 -35.7011 16.3228 9.12033 17.3371 9.12027 -2.58879 GPRESSAVG: 3754400 -25.4497 -33.5578 18.3283 -33.3498 15.624 9.49365 17.512 8.31466 -1.18249 TIMING: 3754400 CPU: 11728.8, 0.00314518/step Wall: 11728.8, 0.00314518/step, 1.08823 hours remaining, 234.773438 MB of memory in use. ENERGY: 3754400 3998.1489 20434.1602 14436.5756 255.0130 -203461.6585 2778.0272 0.0000 0.0000 52310.4613 -109249.2722 300.6289 -161559.7335 -108890.3555 299.1914 -54.9678 -24.5538 763338.2139 -3.8200 -3.6694 PRESSURE: 3754600 -12.021 -24.0434 -42.7516 -24.043 84.7145 51.9269 -42.7519 51.926 141.46 GPRESSURE: 3754600 73.6603 -21.6167 -76.3136 10.664 58.7503 124.059 12.6071 -0.36867 185.331 PRESSAVG: 3754600 -17.7924 -60.3568 7.08568 -60.3567 2.37772 2.40908 7.08569 2.40902 -25.6443 GPRESSAVG: 3754600 -17.5497 -60.5722 6.56505 -61.0562 2.07598 3.81198 7.94952 1.12812 -25.2913 TIMING: 3754600 CPU: 11729.4, 0.00314883/step Wall: 11729.4, 0.00314883/step, 1.08932 hours remaining, 234.773438 MB of memory in use. ENERGY: 3754600 3971.9697 20410.7531 14440.7192 267.2927 -203048.0843 2684.4740 0.0000 0.0000 52007.9644 -109264.9112 298.8905 -161272.8756 -108915.0593 299.2072 71.3846 105.9138 762042.2192 -13.6863 -13.5883 PRESSURE: 3754800 -297.93 97.0954 -28.719 97.0954 33.0673 183.642 -28.7187 183.642 443.696 GPRESSURE: 3754800 -193.841 10.2512 -43.3195 -60.2487 19.8432 118.952 12.0459 237.556 431.723 PRESSAVG: 3754800 8.59775 -3.88541 -14.3615 -3.88546 29.4572 -11.9153 -14.3615 -11.9153 -10.3867 GPRESSAVG: 3754800 7.74731 -3.25262 -15.8513 -4.85376 30.388 -14.8077 -13.752 -11.5008 -10.396 TIMING: 3754800 CPU: 11730, 0.00315245/step Wall: 11730, 0.00315245/step, 1.0904 hours remaining, 234.773438 MB of memory in use. ENERGY: 3754800 3892.5548 20508.1461 14512.5175 256.5341 -202914.1109 2482.2175 0.0000 0.0000 52189.1146 -109073.0263 299.9316 -161262.1409 -108709.2593 299.0543 59.6114 85.9086 762016.5920 9.2228 9.2464 PRESSURE: 3755000 93.6822 -159.002 -228.236 -159.001 132.328 -28.4502 -228.236 -28.4492 22.774 GPRESSURE: 3755000 173.276 -109.564 -229.307 -39.7405 117.051 -47.8215 -264.488 -68.8094 44.0225 PRESSAVG: 3755000 -15.0889 10.2922 -29.1923 10.2922 -7.79085 37.1493 -29.1923 37.1492 -8.37396 GPRESSAVG: 3755000 -13.7087 10.1968 -27.9429 11.3914 -10.3901 36.9386 -31.557 38.2125 -7.42886 TIMING: 3755000 CPU: 11730.7, 0.0031563/step Wall: 11730.7, 0.0031563/step, 1.09155 hours remaining, 234.773438 MB of memory in use. ENERGY: 3755000 3943.1706 20646.9862 14477.2381 252.2187 -203193.8325 2761.8209 0.0000 0.0000 52012.6002 -109099.7977 298.9171 -161112.3979 -108734.4557 299.3098 82.9282 111.4499 764158.0083 -10.4179 -10.5092 PRESSURE: 3755200 198.984 52.8593 -33.6141 52.8592 191.771 87.4116 -33.6137 87.4108 206.863 GPRESSURE: 3755200 206.386 121.833 -74.2618 127.383 179.191 97.7563 70.2665 138.615 290.242 PRESSAVG: 3755200 7.59685 66.2691 -29.2029 66.2691 -12.2063 43.2618 -29.203 43.2618 10.1734 GPRESSAVG: 3755200 7.54835 66.4333 -29.2265 64.1753 -10.9419 44.6277 -29.0518 41.9441 9.02366 TIMING: 3755200 CPU: 11731.3, 0.00314696/step Wall: 11731.3, 0.00314696/step, 1.08815 hours remaining, 234.773438 MB of memory in use. ENERGY: 3755200 3961.6207 20676.4166 14443.9323 251.9726 -203152.2577 2756.6509 0.0000 0.0000 52124.8927 -108936.7719 299.5625 -161061.6645 -108564.9138 299.5990 199.2059 225.2728 762675.2886 1.8547 1.8767 PRESSURE: 3755400 -94.8989 60.0626 -24.7213 60.0624 31.1771 52.6341 -24.7208 52.6324 7.24119 GPRESSURE: 3755400 -145.426 50.8319 -41.1043 24.9235 170.109 75.0891 -5.60116 142.273 20.2601 PRESSAVG: 3755400 55.6319 -11.9317 14.5146 -11.9316 -24.278 0.237251 14.5145 0.237202 17.8974 GPRESSAVG: 3755400 54.9141 -9.80119 16.5541 -10.8272 -22.8647 0.529186 13.5748 0.563785 17.3215 TIMING: 3755400 CPU: 11731.9, 0.00315546/step Wall: 11731.9, 0.00315546/step, 1.09091 hours remaining, 234.773438 MB of memory in use. ENERGY: 3755400 3852.9498 20522.5636 14419.4800 256.8413 -202795.8323 2509.8267 0.0000 0.0000 52135.5296 -109098.6412 299.6236 -161234.1708 -108736.6134 299.4189 -18.8269 14.9811 764355.3044 16.4171 16.4570 PRESSURE: 3755600 -27.1447 45.3023 297.209 45.3024 -225.011 137.024 297.208 137.024 -47.0507 GPRESSURE: 3755600 80.2451 -39.6158 303.52 50.9192 -242.213 71.4031 321.836 188.245 -55.1456 PRESSAVG: 3755600 -9.91492 -3.657 -18.5573 -3.65705 -6.37899 -14.8652 -18.5574 -14.8653 -11.9391 GPRESSAVG: 3755600 -10.7574 -4.85381 -20.7751 -3.17477 -6.52865 -15.1913 -16.6918 -14.5082 -10.9524 TIMING: 3755600 CPU: 11732.5, 0.00312827/step Wall: 11732.5, 0.00312827/step, 1.08134 hours remaining, 234.773438 MB of memory in use. ENERGY: 3755600 4033.3942 20506.7571 14431.2543 244.8063 -203531.9483 2936.7764 0.0000 0.0000 52145.9353 -109233.0246 299.6834 -161378.9600 -108870.3152 299.5305 -99.7356 -72.3713 763501.3745 -9.4110 -9.4128 PRESSURE: 3755800 -512.567 92.4465 -105.163 92.4465 166.441 146.94 -105.163 146.939 288.393 GPRESSURE: 3755800 -367.608 109.083 -18.5356 122.498 110.036 110.565 -145.803 146.341 276.275 PRESSAVG: 3755800 -70.9981 34.8478 7.19182 34.8479 61.6978 19.5863 7.19181 19.5864 11.1531 GPRESSAVG: 3755800 -70.3244 33.6726 8.30393 33.5167 61.5008 20.5078 5.72614 17.9717 10.7057 TIMING: 3755800 CPU: 11733.2, 0.00314183/step Wall: 11733.2, 0.00314183/step, 1.08585 hours remaining, 234.773438 MB of memory in use. ENERGY: 3755800 4000.1201 20400.4130 14471.6850 228.1063 -202924.9968 2437.9431 0.0000 0.0000 52386.2750 -109000.4542 301.0646 -161386.7292 -108633.5899 300.1581 -19.2444 6.2344 762904.1593 0.6176 0.6274 PRESSURE: 3756000 129.968 -325.169 -29.4377 -325.169 -23.0761 -269.188 -29.4381 -269.188 -151.728 GPRESSURE: 3756000 36.4151 -183.091 -48.1996 -234.254 94.5371 -292.498 -195.329 -107.551 -102.467 PRESSAVG: 3756000 -102.409 -17.4152 11.1883 -17.4151 63.3398 86.4166 11.1882 86.4166 1.12578 GPRESSAVG: 3756000 -102.003 -17.477 10.7125 -17.5978 62.7843 84.3479 11.2096 88.5163 1.58368 TIMING: 3756000 CPU: 11733.8, 0.00314881/step Wall: 11733.8, 0.00314881/step, 1.08809 hours remaining, 234.773438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3756000 4021.6951 20482.7426 14407.3697 243.5388 -203235.1844 2870.6980 0.0000 0.0000 52120.9019 -109088.2385 299.5395 -161209.1404 -108722.8689 300.0343 -14.9453 9.4950 763181.2906 -12.6479 -12.5451 PRESSURE: 3756200 -200.781 -109.227 57.5658 -109.227 -447.936 -117.107 57.5662 -117.107 131.646 GPRESSURE: 3756200 -143.285 -183.799 -43.9615 -30.2434 -363.124 -113.82 101.263 -202.078 55.3419 PRESSAVG: 3756200 43.5795 -40.3554 -12.5815 -40.3554 8.07179 -8.34915 -12.5816 -8.34915 22.7061 GPRESSAVG: 3756200 42.9419 -38.2093 -13.239 -40.9832 9.13671 -6.46643 -10.3828 -9.8332 21.7488 TIMING: 3756200 CPU: 11734.4, 0.00316481/step Wall: 11734.4, 0.00316482/step, 1.09344 hours remaining, 234.773438 MB of memory in use. ENERGY: 3756200 4007.2712 20646.1617 14421.4780 244.2967 -203334.4976 2850.6951 0.0000 0.0000 51957.1782 -109207.4168 298.5986 -161164.5950 -108857.0292 299.7190 -172.3570 -150.3559 763356.5491 24.7858 24.6091 LDB: ============= START OF LOAD BALANCING ============== 11746.9 LDB: ============== END OF LOAD BALANCING =============== 11746.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11746.9 LDB: ============= START OF LOAD BALANCING ============== 11747.2 LDB: Largest compute 6998 load 0.029794 is 15.3% of average load 0.195202 LDB: Average compute 0.004395 is 2.3% of average load 0.195202 LDB: TIME 11747.2 LOAD: AVG 0.195202 MAX 0.214107 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.062 MB LDB: TIME 11747.2 LOAD: AVG 0.195202 MAX 0.214107 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.062 MB LDB: TIME 11747.2 LOAD: AVG 0.195202 MAX 0.214107 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.062 MB LDB: ============== END OF LOAD BALANCING =============== 11747.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11747.2 PRESSURE: 3756400 -264.671 126.936 -89.6928 126.937 279.925 88.3778 -89.6926 88.3792 80.8284 GPRESSURE: 3756400 -186.855 203.254 17.7709 34.5283 214.648 56.4554 -55.0764 80.479 133.475 PRESSAVG: 3756400 -95.8224 -30.6492 -59.3883 -30.6493 58.4116 3.07428 -59.3883 3.0743 16.6786 GPRESSAVG: 3756400 -95.4553 -34.416 -57.432 -28.8893 57.7045 1.5776 -63.2284 5.16688 16.9523 TIMING: 3756400 CPU: 11735.1, 0.00319437/step Wall: 11735.1, 0.00319437/step, 1.10348 hours remaining, 234.378906 MB of memory in use. ENERGY: 3756400 3997.9907 20514.6448 14494.1189 241.4458 -203226.2432 2777.5759 0.0000 0.0000 51980.1180 -109220.3492 298.7305 -161200.4672 -108866.8146 299.3651 32.0273 53.7563 764053.0011 -6.9107 -6.9328 PRESSURE: 3756600 -399.125 -205.106 -137.86 -205.107 -487.235 -13.4012 -137.86 -13.4004 16.9488 GPRESSURE: 3756600 -348.005 -181.975 -98.3032 -132.428 -412.639 45.1276 -202.887 -65.4719 -15.1325 PRESSAVG: 3756600 -19.1992 -39.8036 0.658751 -39.8037 28.5396 52.9005 0.658737 52.9005 3.98369 GPRESSAVG: 3756600 -20.2002 -37.3657 -2.77571 -40.2425 28.8992 54.9153 3.8192 52.0416 4.65176 TIMING: 3756600 CPU: 11735.7, 0.00313062/step Wall: 11735.7, 0.00313062/step, 1.08128 hours remaining, 234.578125 MB of memory in use. ENERGY: 3756600 3960.7088 20585.4732 14440.3280 253.4586 -202898.7356 2548.1725 0.0000 0.0000 51868.3387 -109242.2558 298.0881 -161110.5944 -108887.1920 299.3674 -289.8038 -258.5921 764673.8674 4.4414 4.4503 PRESSURE: 3756800 -97.8794 102.463 177.182 102.464 61.9188 -123.866 177.183 -123.868 -188.542 GPRESSURE: 3756800 -86.739 -27.0943 197.386 137.556 159.569 -87.1965 217.451 -37.7143 -206.293 PRESSAVG: 3756800 -13.1314 -21.6478 13.0458 -21.6478 5.76243 -18.2601 13.0458 -18.2601 -5.62894 GPRESSAVG: 3756800 -12.1251 -24.5843 14.5591 -20.1949 5.33494 -21.0133 12.7216 -18.9892 -6.03309 TIMING: 3756800 CPU: 11736.3, 0.00314731/step Wall: 11736.3, 0.00314731/step, 1.08687 hours remaining, 234.578125 MB of memory in use. ENERGY: 3756800 4027.9728 20582.1948 14456.4949 236.0508 -203325.7730 2837.1651 0.0000 0.0000 52172.8807 -109013.0140 299.8383 -161185.8946 -108647.6553 299.3703 -74.8343 -44.4876 761969.3081 -4.3326 -4.2744 PRESSURE: 3757000 -361.147 64.0833 85.4605 64.0827 -81.2149 -33.8539 85.4615 -33.853 154.643 GPRESSURE: 3757000 -313.915 -54.7807 92.3356 100.145 -15.316 48.3266 74.5225 -99.9163 102.07 PRESSAVG: 3757000 -16.2766 -1.90987 45.0219 -1.90989 20.3628 21.8324 45.0219 21.8324 9.90973 GPRESSAVG: 3757000 -16.8676 1.29638 44.7056 -3.67909 19.4031 24.5656 47.5218 21.39 11.262 TIMING: 3757000 CPU: 11737, 0.00313014/step Wall: 11737, 0.00313014/step, 1.08077 hours remaining, 234.578125 MB of memory in use. ENERGY: 3757000 3999.4033 20701.1037 14429.0857 236.9463 -203421.2310 3012.5307 0.0000 0.0000 52071.5833 -108970.5779 299.2561 -161042.1612 -108617.3434 299.4488 -95.9063 -75.7202 764405.9404 4.6653 4.5992 PRESSURE: 3757200 262.373 -150.434 24.1398 -150.434 206.137 -138.763 24.1408 -138.762 -101.5 GPRESSURE: 3757200 383.399 -191.757 51.6231 -108.244 138.697 -152.047 -79.9748 -25.6557 -57.9244 PRESSAVG: 3757200 27.7933 -63.8768 -6.06787 -63.8768 -21.3273 -39.9132 -6.0678 -39.9132 44.7677 GPRESSAVG: 3757200 27.1542 -66.0546 -3.96167 -63.5631 -20.2298 -41.3527 -10.1017 -39.3812 43.9166 TIMING: 3757200 CPU: 11737.6, 0.00312506/step Wall: 11737.6, 0.00312506/step, 1.07884 hours remaining, 234.578125 MB of memory in use. ENERGY: 3757200 3974.0662 20496.4204 14484.5618 258.0937 -203377.2685 3104.5207 0.0000 0.0000 52140.6551 -108918.9507 299.6531 -161059.6058 -108546.7598 299.7719 122.3366 154.7237 762977.1985 17.0779 16.9470 PRESSURE: 3757400 -42.0186 0.759823 198.289 0.759037 186.917 333.97 198.289 333.97 -198.104 GPRESSURE: 3757400 36.2778 -47.9404 172.54 121.738 182.44 335.43 296.003 271.028 -186.503 PRESSAVG: 3757400 -26.4172 -2.49076 58.953 -2.4907 -53.7855 36.2748 58.9531 36.2747 -9.01428 GPRESSAVG: 3757400 -24.5779 -0.979114 56.8146 -0.962819 -54.4158 35.9428 60.9267 35.8665 -9.59546 TIMING: 3757400 CPU: 11738.2, 0.00310477/step Wall: 11738.2, 0.00310477/step, 1.07166 hours remaining, 234.578125 MB of memory in use. ENERGY: 3757400 4012.6275 20653.7192 14486.1268 238.8339 -202837.7381 2561.5668 0.0000 0.0000 52098.7782 -108786.0856 299.4124 -160884.8638 -108427.2194 299.9981 -17.7351 10.7385 763040.2718 -29.7390 -29.5297 PRESSURE: 3757600 -19.0646 134.057 -80.0545 134.058 -132.265 107.41 -80.054 107.41 -738.85 GPRESSURE: 3757600 -46.3714 154.72 -64.9834 44.875 -12.7695 84.5211 2.4645 16.4033 -737.957 PRESSAVG: 3757600 -1.96492 0.793225 2.06623 0.793142 30.7177 6.13368 2.06624 6.1337 3.96474 GPRESSAVG: 3757600 -2.43209 -1.0782 3.49545 -0.667981 32.0622 6.00706 3.42295 8.2609 3.08546 TIMING: 3757600 CPU: 11738.8, 0.00311652/step Wall: 11738.8, 0.00311652/step, 1.07554 hours remaining, 234.578125 MB of memory in use. ENERGY: 3757600 3979.0189 20522.9152 14437.3475 215.1974 -203161.5175 2575.8661 0.0000 0.0000 52670.6797 -108760.4927 302.6991 -161431.1724 -108390.5075 300.5504 -296.7267 -265.6993 762489.5490 10.9058 10.9052 PRESSURE: 3757800 -388.435 51.1799 -140.268 51.1804 -11.4381 144.177 -140.269 144.177 -344.885 GPRESSURE: 3757800 -296.804 129.83 -216.204 77.1636 -63.2595 77.6713 -53.5728 193.185 -297.988 PRESSAVG: 3757800 -25.4394 -40.8478 34.2417 -40.8478 13.271 -0.650478 34.2416 -0.650461 19.1539 GPRESSAVG: 3757800 -26.1533 -40.1819 32.5684 -38.1083 13.2046 0.465909 34.3132 -1.26257 20.466 TIMING: 3757800 CPU: 11739.5, 0.00311222/step Wall: 11739.5, 0.00311222/step, 1.07389 hours remaining, 234.578125 MB of memory in use. ENERGY: 3757800 4008.9656 20725.2626 14431.6224 243.0178 -202847.4357 2397.7348 0.0000 0.0000 52228.8959 -108811.9366 300.1602 -161040.8325 -108445.5925 300.7766 -248.2526 -219.3503 763285.3850 2.3285 2.5058 PRESSURE: 3758000 -47.9755 131.453 235.176 131.452 96.0249 87.6676 235.176 87.667 18.422 GPRESSURE: 3758000 4.84865 142.919 320.167 148.45 168.777 71.7979 154.889 179.563 -41.9824 PRESSAVG: 3758000 -34.7869 8.16456 33.2965 8.16459 22.8999 -15.4972 33.2966 -15.4972 -14.9191 GPRESSAVG: 3758000 -34.1731 8.88194 35.0749 5.39341 23.4324 -16.1973 30.0408 -15.1489 -15.7818 TIMING: 3758000 CPU: 11740.1, 0.00316265/step Wall: 11740.1, 0.00316265/step, 1.09111 hours remaining, 234.578125 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: 3758000 3960.3150 20689.8139 14458.3566 255.4115 -203287.8989 2922.8410 0.0000 0.0000 52278.0802 -108723.0807 300.4428 -161001.1609 -108347.4965 300.5012 22.1572 43.8811 763758.0178 -8.9354 -8.8408 PRESSURE: 3758200 -152.545 145.077 82.3382 145.076 -249.872 177.291 82.3384 177.29 -116.004 GPRESSURE: 3758200 -82.0984 -80.4167 136.528 83.9563 -282.975 142.659 104.607 156.07 -99.9773 PRESSAVG: 3758200 -8.42193 34.2441 18.4161 34.2442 14.6026 -6.60695 18.416 -6.60694 -7.73569 GPRESSAVG: 3758200 -6.92856 34.8101 17.4522 34.3218 12.8292 -7.20703 20.1126 -6.46127 -7.24991 TIMING: 3758200 CPU: 11740.7, 0.00313514/step Wall: 11740.7, 0.00313514/step, 1.08145 hours remaining, 234.578125 MB of memory in use. ENERGY: 3758200 3908.9909 20859.4626 14452.7529 250.4372 -203011.5300 2543.5466 0.0000 0.0000 52052.2007 -108944.1392 299.1447 -160996.3399 -108592.8916 299.8635 -172.8069 -155.0168 764172.5118 -0.5183 -0.4498 PRESSURE: 3758400 204.711 -92.3778 17.9077 -92.3782 -81.6053 -287.986 17.9083 -287.986 62.3741 GPRESSURE: 3758400 222.242 -149.694 -21.0202 -59.6589 -39.7278 -349.043 44.1062 -108.134 81.8015 PRESSAVG: 3758400 -63.3441 -49.6179 27.6752 -49.618 75.1037 -7.28591 27.6752 -7.28587 -0.577176 GPRESSAVG: 3758400 -62.9348 -49.5798 28.4151 -50.2839 75.1185 -7.6898 29.3353 -5.23695 -0.902048 TIMING: 3758400 CPU: 11741.3, 0.00311647/step Wall: 11741.3, 0.00311647/step, 1.07484 hours remaining, 234.578125 MB of memory in use. ENERGY: 3758400 3946.6890 20352.9144 14437.6231 246.0607 -203142.6134 2862.9076 0.0000 0.0000 52009.7234 -109286.6952 298.9006 -161296.4186 -108922.7004 298.9022 61.8266 88.1054 764212.4600 3.7275 3.7606 PRESSURE: 3758600 -21.3038 -417.772 -150.317 -417.772 -353.981 -74.8863 -150.315 -74.8861 5.81916 GPRESSURE: 3758600 -65.6423 -257.839 -198.479 -287.663 -234.886 29.6668 -24.9077 72.2795 25.2819 PRESSAVG: 3758600 -53.0284 -1.70794 8.71529 -1.70791 41.5716 -18.7286 8.7152 -18.7285 19.6343 GPRESSAVG: 3758600 -55.1476 -0.840986 8.57267 0.748406 43.1795 -18.0773 7.71147 -19.2259 19.9692 TIMING: 3758600 CPU: 11742, 0.0031446/step Wall: 11742, 0.0031446/step, 1.08436 hours remaining, 234.578125 MB of memory in use. ENERGY: 3758600 3916.8973 20493.8639 14405.0223 256.2696 -202956.5546 2593.6792 0.0000 0.0000 52193.8471 -109096.9754 299.9588 -161290.8224 -108732.1654 299.0720 -123.1552 -91.7489 762743.7761 2.7259 2.6670 PRESSURE: 3758800 40.2359 -99.8027 298.678 -99.802 267.487 110.887 298.678 110.886 453.159 GPRESSURE: 3758800 140.671 -182.819 353.127 -80.381 330.717 -28.3931 180.251 43.7237 388.904 PRESSAVG: 3758800 -1.41412 -2.21629 0.573577 -2.21625 47.5406 2.31479 0.573594 2.31477 -10.0886 GPRESSAVG: 3758800 -0.854902 -5.66668 0.791234 -2.11432 46.7273 1.27436 -0.439008 0.66515 -9.57999 TIMING: 3758800 CPU: 11742.6, 0.00314357/step Wall: 11742.6, 0.00314357/step, 1.08383 hours remaining, 234.578125 MB of memory in use. ENERGY: 3758800 3901.6747 20532.9093 14394.6905 242.0878 -203403.7182 2955.1264 0.0000 0.0000 52194.4054 -109182.8241 299.9620 -161377.2295 -108823.5328 299.4219 253.6271 286.7640 762695.3572 12.0127 12.0975 PRESSURE: 3759000 -172.318 63.4371 -63.5071 63.4369 81.0664 -13.0892 -63.5064 -13.0885 -348.058 GPRESSURE: 3759000 -194.084 126.627 -90.0109 -31.3715 116.78 -50.5422 -65.7497 -62.4127 -272.171 PRESSAVG: 3759000 -65.2458 14.1785 24.0384 14.1785 36.0968 66.4772 24.0384 66.4773 -2.88642 GPRESSAVG: 3759000 -64.5462 17.3458 23.3045 11.4917 36.4164 67.0575 23.9254 64.1887 -2.78752 TIMING: 3759000 CPU: 11743.2, 0.0031484/step Wall: 11743.2, 0.0031484/step, 1.08532 hours remaining, 234.578125 MB of memory in use. ENERGY: 3759000 3921.6972 20513.5887 14456.8822 245.3280 -203077.1469 2542.4014 0.0000 0.0000 52190.5857 -109206.6637 299.9400 -161397.2494 -108840.5928 299.7220 -146.4364 -116.4916 764482.2777 -10.6785 -10.3058 PRESSURE: 3759200 156.084 74.3944 -268.528 74.3943 16.5013 13.4372 -268.527 13.438 219.845 GPRESSURE: 3759200 169.5 97.87 -181.484 96.7715 -5.78917 -24.9584 -252.371 12.9074 300.863 PRESSAVG: 3759200 -73.2235 -10.5458 -37.0396 -10.5458 60.3961 -7.22948 -37.0395 -7.22952 1.83021 GPRESSAVG: 3759200 -72.6496 -10.8839 -37.8644 -10.0863 60.3986 -7.74352 -36.8216 -5.17598 1.3237 TIMING: 3759200 CPU: 11743.8, 0.00314191/step Wall: 11743.8, 0.00314191/step, 1.08291 hours remaining, 234.578125 MB of memory in use. ENERGY: 3759200 4004.9860 20480.3982 14389.2643 238.8754 -203103.2747 2848.1078 0.0000 0.0000 51798.8443 -109342.7986 297.6887 -161141.6429 -108978.4078 299.3947 130.8102 154.8580 764753.8154 -3.6657 -3.6424 PRESSURE: 3759400 -126.622 169.571 22.1681 169.57 46.4229 170.028 22.1669 170.029 45.8916 GPRESSURE: 3759400 -129.998 219.469 42.9823 283.323 100.634 102.07 44.0096 211.89 87.7629 PRESSAVG: 3759400 -45.2636 12.9748 24.0598 12.9748 40.8762 58.913 24.0598 58.9129 -12.2205 GPRESSAVG: 3759400 -44.9372 10.1493 26.6628 17.1268 41.1686 60.2228 23.2178 57.4478 -12.4426 TIMING: 3759400 CPU: 11744.5, 0.00316125/step Wall: 11744.5, 0.00316125/step, 1.0894 hours remaining, 234.578125 MB of memory in use. ENERGY: 3759400 4020.0993 20470.7465 14351.7394 249.2905 -203432.5572 2900.9100 0.0000 0.0000 51932.1199 -109507.6516 298.4546 -161439.7715 -109151.5259 298.9289 -11.4359 19.4662 763731.2971 -5.5360 -5.4037 PRESSURE: 3759600 172.982 16.2198 199.453 16.2198 -240.122 -9.82976 199.452 -9.82993 -71.5431 GPRESSURE: 3759600 127.183 85.6658 161.837 -38.7528 -149.63 -35.1844 111.841 -66.1464 -44.4543 PRESSAVG: 3759600 18.6109 -14.5918 23.1137 -14.5918 -15.2703 39.8236 23.1137 39.8237 30.8054 GPRESSAVG: 3759600 18.6359 -13.3891 20.6232 -18.1727 -14.6033 38.9607 25.7859 41.0233 30.0226 TIMING: 3759600 CPU: 11745.1, 0.00315258/step Wall: 11745.1, 0.00315258/step, 1.08624 hours remaining, 234.578125 MB of memory in use. ENERGY: 3759600 3982.2932 20585.3076 14419.5715 255.3489 -203612.8152 2637.0624 0.0000 0.0000 52059.3080 -109673.9238 299.1856 -161733.2317 -109310.7573 298.8260 -46.2274 -22.3005 762518.8445 11.3820 11.3518 PRESSURE: 3759800 -2.84068 -126.013 167.424 -126.014 -22.4824 81.0353 167.424 81.0353 -200.551 GPRESSURE: 3759800 -29.2974 -104.052 68.5121 -12.6735 68.246 -11.7291 48.6466 63.4522 -170.727 PRESSAVG: 3759800 18.1613 -13.2737 33.4587 -13.2737 48.5155 18.5394 33.4587 18.5394 -19.7433 GPRESSAVG: 3759800 17.8377 -13.7287 34.2401 -13.6005 47.9986 18.0002 32.1404 19.1644 -18.9383 TIMING: 3759800 CPU: 11745.7, 0.00315919/step Wall: 11745.7, 0.00315919/step, 1.08834 hours remaining, 234.578125 MB of memory in use. ENERGY: 3759800 4011.6851 20530.2841 14381.5273 228.6081 -203336.4123 2640.7066 0.0000 0.0000 52014.0690 -109529.5321 298.9256 -161543.6011 -109169.1453 298.7894 -75.2914 -43.9260 761431.2808 15.6445 15.6327 PRESSURE: 3760000 -457.94 125.241 -292.871 125.241 -184.425 -132.424 -292.871 -132.424 -146.035 GPRESSURE: 3760000 -383.252 107.355 -253.614 29.6769 -158.938 -114.602 -146.323 -232.698 -150.257 PRESSAVG: 3760000 -37.4833 -38.2276 3.93086 -38.2276 75.9594 3.53277 3.93088 3.53263 0.637517 GPRESSAVG: 3760000 -37.7627 -39.0094 2.46759 -37.2402 74.7556 4.38825 5.08805 -0.110062 2.13944 TIMING: 3760000 CPU: 11746.4, 0.00313502/step Wall: 11746.4, 0.00313502/step, 1.07984 hours remaining, 234.578125 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: 3760000 3964.2106 20525.2099 14447.9732 242.7889 -203325.8528 2534.6079 0.0000 0.0000 52311.8582 -109299.2040 300.6370 -161611.0622 -108927.0162 299.0707 -262.8003 -230.8157 763014.5906 13.0378 13.0441 PRESSURE: 3760200 -21.703 54.7341 53.8296 54.7332 105.134 -240.724 53.8286 -240.724 -204.559 GPRESSURE: 3760200 21.9787 96.6225 109.1 95.1856 138.033 -231.244 -72.6915 -129.885 -199.578 PRESSAVG: 3760200 1.82385 -28.195 9.82138 -28.195 7.69851 -16.7962 9.82142 -16.7963 -22.881 GPRESSAVG: 3760200 1.06397 -27.0781 12.232 -26.9964 9.3969 -18.1224 9.08969 -14.6393 -23.7253 TIMING: 3760200 CPU: 11747, 0.00311573/step Wall: 11747, 0.00311573/step, 1.07302 hours remaining, 234.578125 MB of memory in use. ENERGY: 3760200 4035.3927 20595.9468 14468.2691 263.7401 -203502.9690 2789.0963 0.0000 0.0000 52106.4491 -109244.0748 299.4565 -161350.5239 -108875.9959 299.6627 -40.3760 -13.1888 762618.0612 -4.4529 -4.4215 LDB: ============= START OF LOAD BALANCING ============== 11759.5 LDB: ============== END OF LOAD BALANCING =============== 11759.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11759.5 LDB: ============= START OF LOAD BALANCING ============== 11759.8 LDB: Largest compute 6972 load 0.028771 is 14.7% of average load 0.195357 LDB: Average compute 0.004364 is 2.2% of average load 0.195357 LDB: TIME 11759.8 LOAD: AVG 0.195357 MAX 0.21295 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.406 MB LDB: TIME 11759.8 LOAD: AVG 0.195357 MAX 0.21295 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.52 MB LDB: TIME 11759.8 LOAD: AVG 0.195357 MAX 0.21295 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.52 MB LDB: ============== END OF LOAD BALANCING =============== 11759.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11759.8 PRESSURE: 3760400 152.483 35.4813 14.9173 35.4805 417.127 -75.8749 14.9165 -75.8747 348.699 GPRESSURE: 3760400 141.985 77.4744 -10.4704 -27.8745 462.356 -79.194 98.0655 -29.3177 379.575 PRESSAVG: 3760400 -7.20842 -29.604 -70.7578 -29.604 0.690435 12.6851 -70.7578 12.6852 3.86826 GPRESSAVG: 3760400 -7.20423 -29.7008 -72.3928 -32.1416 0.0463349 13.7947 -69.4107 12.4423 4.31001 TIMING: 3760400 CPU: 11747.6, 0.00318692/step Wall: 11747.6, 0.00318692/step, 1.09736 hours remaining, 235.207031 MB of memory in use. ENERGY: 3760400 3905.3405 20670.9520 14379.2043 261.1406 -203294.7820 2661.9854 0.0000 0.0000 52245.2805 -109170.8786 300.2543 -161416.1591 -108803.2117 299.8699 306.1028 327.9718 761941.3351 -0.8832 -0.9493 PRESSURE: 3760600 -277.321 60.69 -134.494 60.6892 -240.916 -22.6657 -134.493 -22.6666 56.2407 GPRESSURE: 3760600 -210.845 105.797 -113.327 73.3733 -304.8 4.80949 -199.275 -54.8378 146.171 PRESSAVG: 3760600 -39.4752 23.3408 24.2521 23.3408 66.7824 -30.2222 24.2521 -30.2222 -9.0665 GPRESSAVG: 3760600 -38.7062 23.1607 23.4219 24.8096 66.7883 -30.7591 23.9527 -29.5369 -9.22295 TIMING: 3760600 CPU: 11748.3, 0.00312328/step Wall: 11748.3, 0.00312328/step, 1.07528 hours remaining, 235.207031 MB of memory in use. ENERGY: 3760600 4031.8311 20545.8408 14455.9806 254.9610 -203190.0556 2392.6847 0.0000 0.0000 52262.8078 -109245.9496 300.3551 -161508.7574 -108888.0646 299.6872 -153.9990 -123.1578 762491.6397 6.0802 6.2864 PRESSURE: 3760800 76.4029 31.7401 328.716 31.74 109.665 228.628 328.715 228.629 426.373 GPRESSURE: 3760800 190.002 27.6038 372.29 134.746 95.1606 261.111 287.894 305.524 396.371 PRESSAVG: 3760800 -15.42 41.1353 21.1057 41.1353 16.9245 54.0241 21.1057 54.0242 -3.05771 GPRESSAVG: 3760800 -14.6857 40.6924 21.2425 42.2307 17.6431 54.7678 22.1023 54.8289 -4.36847 TIMING: 3760800 CPU: 11748.9, 0.00311348/step Wall: 11748.9, 0.00311348/step, 1.07173 hours remaining, 235.207031 MB of memory in use. ENERGY: 3760800 3985.3447 20389.7703 14447.7040 251.3069 -203609.4783 2912.3714 0.0000 0.0000 52308.1844 -109314.7966 300.6159 -161622.9810 -108946.1097 299.8625 204.1471 227.1779 762363.9538 -0.5178 -0.4704 PRESSURE: 3761000 148.905 -129.437 -123.931 -129.436 421.77 46.1952 -123.932 46.1959 10.5801 GPRESSURE: 3761000 222.579 -249.135 -34.593 -122.312 382.701 -36.38 -163.716 -79.3804 52.0442 PRESSAVG: 3761000 -13.1382 -10.1179 -1.56005 -10.1179 71.7723 43.14 -1.56002 43.1399 16.9294 GPRESSAVG: 3761000 -12.2151 -8.10174 -0.301688 -12.26 69.5173 43.5418 -3.50729 44.6998 18.3375 TIMING: 3761000 CPU: 11749.5, 0.00310379/step Wall: 11749.5, 0.00310379/step, 1.06822 hours remaining, 235.207031 MB of memory in use. ENERGY: 3761000 3975.7249 20826.7157 14397.3545 248.9870 -203626.2560 2970.0975 0.0000 0.0000 52151.9240 -109055.4524 299.7178 -161207.3764 -108716.3131 299.9523 193.7519 219.1082 761879.7447 25.1878 25.2133 PRESSURE: 3761200 -271.455 83.5897 -68.248 83.5895 61.5336 -32.3906 -68.249 -32.3902 -169.67 GPRESSURE: 3761200 -210.524 112.48 -41.024 133.399 42.3146 -109.81 -90.4956 34.6155 -125.802 PRESSAVG: 3761200 -14.4351 -7.8306 -6.36801 -7.83068 74.4782 -2.62828 -6.36795 -2.62825 29.8427 GPRESSAVG: 3761200 -16.6588 -6.83494 -6.3662 -7.71612 77.7663 -3.32359 -6.24717 -6.82815 28.4993 TIMING: 3761200 CPU: 11750.1, 0.00310263/step Wall: 11750.1, 0.00310263/step, 1.06765 hours remaining, 235.207031 MB of memory in use. ENERGY: 3761200 4037.4004 20502.0274 14389.1833 247.1018 -203205.6678 2658.5262 0.0000 0.0000 52482.2850 -108889.1437 301.6164 -161371.4286 -108519.8760 300.7730 -126.5304 -98.0039 763539.1522 29.9620 29.8689 PRESSURE: 3761400 -10.4035 90.8885 -132.823 90.8887 -279.891 10.1443 -132.822 10.1447 83.0656 GPRESSURE: 3761400 -82.5534 183.043 -119.131 140.384 -157.813 -51.4072 -97.6488 39.8527 121.538 PRESSAVG: 3761400 -57.1817 3.1122 9.3226 3.11223 1.46209 32.5654 9.32259 32.5653 6.55616 GPRESSAVG: 3761400 -56.5298 0.961299 7.50118 5.62969 0.329124 32.7488 10.2241 34.9764 6.96591 TIMING: 3761400 CPU: 11750.7, 0.00312788/step Wall: 11750.7, 0.00312788/step, 1.07617 hours remaining, 235.207031 MB of memory in use. ENERGY: 3761400 4081.3180 20550.2239 14377.3857 248.2581 -202912.1829 2436.2033 0.0000 0.0000 52365.9329 -108852.8610 300.9477 -161218.7940 -108484.7504 300.1138 -69.0762 -39.6094 763736.0023 -16.3878 -16.4116 PRESSURE: 3761600 -147.995 -77.904 -68.0922 -77.9038 250.317 82.4039 -68.0919 82.4041 216.862 GPRESSURE: 3761600 -153.319 14.4513 -128.88 -108.628 317.983 174.14 62.6161 -75.8203 225.324 PRESSAVG: 3761600 -5.05088 32.3717 11.5403 32.3718 1.1373 24.5189 11.5403 24.5189 6.13384 GPRESSAVG: 3761600 -4.86798 33.2542 10.7052 31.5582 1.9172 23.555 12.6206 24.3239 5.73103 TIMING: 3761600 CPU: 11751.4, 0.00313943/step Wall: 11751.4, 0.00313943/step, 1.07996 hours remaining, 235.207031 MB of memory in use. ENERGY: 3761600 4056.6829 20563.7429 14397.5397 236.1804 -203447.6231 2878.5002 0.0000 0.0000 52306.0088 -109008.9681 300.6034 -161314.9770 -108645.5924 300.4299 106.3946 129.9959 761712.1239 0.7401 0.9267 PRESSURE: 3761800 -233.443 -68.9747 74.5971 -68.9744 -60.0114 141.155 74.596 141.155 -62.2041 GPRESSURE: 3761800 -208.471 -106.679 201.411 -45.859 -48.6562 221.067 -73.6097 114.386 -39.2177 PRESSAVG: 3761800 19.9255 -14.3242 3.99054 -14.3242 -35.6089 -27.2103 3.99055 -27.2103 -16.2054 GPRESSAVG: 3761800 20.5565 -14.3225 5.68915 -15.0966 -36.1458 -26.8395 4.13504 -26.5388 -16.4779 TIMING: 3761800 CPU: 11752, 0.00312872/step Wall: 11752, 0.00312872/step, 1.07611 hours remaining, 235.207031 MB of memory in use. ENERGY: 3761800 4026.1410 20684.9506 14470.9635 247.0308 -203406.0172 2790.9501 0.0000 0.0000 51885.6791 -109300.3022 298.1877 -161185.9813 -108948.8047 299.6346 -118.5528 -98.7817 762780.8255 -10.6296 -10.6891 PRESSURE: 3762000 -194.484 100.096 -114.988 100.096 -29.0601 -58.5727 -114.988 -58.5721 -58.919 GPRESSURE: 3762000 -180.291 102.613 -209.592 93.7107 30.3835 -72.9502 -86.2174 -17.7587 -42.9171 PRESSAVG: 3762000 -95.6961 30.8456 36.7604 30.8456 65.0764 59.4524 36.7605 59.4524 2.24216 GPRESSAVG: 3762000 -96.0085 29.7259 37.195 33.8588 64.9191 59.9986 33.4944 58.2606 2.239 TIMING: 3762000 CPU: 11752.6, 0.00311147/step Wall: 11752.6, 0.00311148/step, 1.07 hours remaining, 235.207031 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: 3762000 4078.0907 20630.3800 14462.2627 261.0003 -203445.0991 2722.0599 0.0000 0.0000 51837.3884 -109453.9171 297.9102 -161291.3055 -109100.3604 299.2817 -94.1544 -64.2750 762493.1285 -9.4592 -9.6168 PRESSURE: 3762200 376.953 117.957 44.7998 117.955 -147.517 66.1343 44.7997 66.1335 -73.8816 GPRESSURE: 3762200 382.749 79.6856 52.2657 150.158 -79.1238 36.8563 81.16 94.4026 -58.6155 PRESSAVG: 3762200 -14.8377 13.3763 -57.2316 13.3764 8.15499 26.1398 -57.2316 26.1398 3.34949 GPRESSAVG: 3762200 -14.7232 12.1772 -57.6492 12.8142 8.33284 24.4776 -55.0021 27.3354 2.82697 TIMING: 3762200 CPU: 11753.2, 0.00310616/step Wall: 11753.2, 0.00310616/step, 1.068 hours remaining, 235.207031 MB of memory in use. ENERGY: 3762200 4038.7788 20484.0292 14448.0302 242.6075 -203745.8790 2864.7062 0.0000 0.0000 52268.5928 -109399.1344 300.3883 -161667.7272 -109035.4543 299.4399 51.8515 81.6698 762291.5846 -1.1111 -1.1878 PRESSURE: 3762400 256.325 -30.8633 -139.089 -30.8635 46.7876 -28.8632 -139.089 -28.8624 -70.2908 GPRESSURE: 3762400 316.629 67.8159 -105.931 38.2169 5.73542 16.3677 -148.325 -38.8332 -1.41759 PRESSAVG: 3762400 78.818 33.1353 37.9244 33.1353 -33.6743 12.0758 37.9245 12.0757 -7.85509 GPRESSAVG: 3762400 77.7329 34.492 38.6234 32.5815 -34.59 12.7018 37.4956 14.8234 -5.51956 TIMING: 3762400 CPU: 11753.9, 0.00311294/step Wall: 11753.9, 0.00311294/step, 1.07016 hours remaining, 235.207031 MB of memory in use. ENERGY: 3762400 4040.8308 20536.8051 14410.7802 271.6377 -203457.5945 2774.1851 0.0000 0.0000 52091.7634 -109331.5921 299.3721 -161423.3555 -108967.1425 299.0434 77.6073 106.9824 762624.9926 12.4295 12.5411 PRESSURE: 3762600 120.359 -29.8034 -107.573 -29.8041 215.825 -131.583 -107.573 -131.582 119.336 GPRESSURE: 3762600 120.191 2.3909 -108.868 -43.051 284.425 -149.191 -120.801 -63.5664 121.56 PRESSAVG: 3762600 -59.303 -44.398 16.3842 -44.398 43.5229 28.2885 16.3842 28.2885 -8.93336 GPRESSAVG: 3762600 -58.5031 -44.1462 16.4842 -44.1932 44.7149 28.5591 19.0121 25.1647 -11.0363 TIMING: 3762600 CPU: 11754.5, 0.00313664/step Wall: 11754.5, 0.00313664/step, 1.07813 hours remaining, 235.207031 MB of memory in use. ENERGY: 3762600 4019.3242 20688.3345 14446.1088 271.7308 -203154.5002 2701.6079 0.0000 0.0000 52032.1702 -108995.2237 299.0296 -161027.3940 -108635.0627 299.5732 151.8400 175.3919 763087.9288 -8.2378 -8.2748 PRESSURE: 3762800 -287.668 16.6746 96.303 16.6741 31.2985 -147.133 96.3038 -147.133 -158.292 GPRESSURE: 3762800 -307.606 92.3587 124.075 33.7104 96.5794 -140.218 175.74 -112.812 -105.849 PRESSAVG: 3762800 -60.4396 -8.15891 -20.116 -8.15893 88.45 41.5135 -20.116 41.5136 0.793635 GPRESSAVG: 3762800 -60.0206 -7.70897 -20.8653 -7.8878 86.4865 41.4221 -21.5082 42.6168 3.00813 TIMING: 3762800 CPU: 11755.1, 0.0031476/step Wall: 11755.1, 0.0031476/step, 1.08173 hours remaining, 235.207031 MB of memory in use. ENERGY: 3762800 4047.5809 20438.0402 14393.3048 240.8546 -202831.4512 2412.4294 0.0000 0.0000 52385.1511 -108914.0902 301.0582 -161299.2413 -108550.0493 299.9830 -138.2205 -105.6252 763012.8552 9.6013 9.8247 PRESSURE: 3763000 -155.648 25.7256 -24.0155 25.7265 -41.5026 -13.1539 -24.015 -13.1535 -82.9988 GPRESSURE: 3763000 -126.629 158.766 30.8701 -9.12805 28.6143 35.2113 6.67443 122.296 -96.0456 PRESSAVG: 3763000 -41.4092 -4.96875 -33.5564 -4.96876 16.9321 26.0144 -33.5564 26.0144 2.72166 GPRESSAVG: 3763000 -42.1793 -2.48889 -33.0202 -7.55163 18.7149 26.4279 -34.9278 25.1152 1.72427 TIMING: 3763000 CPU: 11755.7, 0.00313848/step Wall: 11755.7, 0.00313848/step, 1.07841 hours remaining, 235.207031 MB of memory in use. ENERGY: 3763000 4078.6616 20533.0372 14415.8260 251.3706 -202785.0990 2318.2089 0.0000 0.0000 52007.4168 -109180.5777 298.8873 -161187.9945 -108819.0493 299.5936 -93.3830 -64.6869 762617.9655 -7.2518 -7.2467 PRESSURE: 3763200 -442.005 -84.1414 17.1954 -84.1412 154.443 190.48 17.1953 190.481 -242.999 GPRESSURE: 3763200 -321.56 -45.1849 96.117 -68.2762 60.0081 137.077 114.484 186.914 -207.909 PRESSAVG: 3763200 -53.3363 -8.11376 -41.6031 -8.11378 11.6439 83.5547 -41.6031 83.5547 7.37047 GPRESSAVG: 3763200 -52.6732 -9.1108 -42.4567 -6.17924 10.9286 82.3766 -41.0407 82.5591 7.79495 TIMING: 3763200 CPU: 11756.4, 0.00315096/step Wall: 11756.4, 0.00315096/step, 1.08253 hours remaining, 235.207031 MB of memory in use. ENERGY: 3763200 4026.5018 20434.7356 14464.4810 241.0201 -203283.9560 2794.2195 0.0000 0.0000 52036.4978 -109286.5002 299.0545 -161322.9980 -108926.1797 299.0188 -176.8535 -156.4871 763315.5843 -11.4406 -11.3166 PRESSURE: 3763400 281.693 -127.604 141.903 -127.604 77.4295 227.971 141.902 227.971 34.6706 GPRESSURE: 3763400 323.137 -97.2886 174.08 34.6167 90.1709 224.118 138.543 131.487 54.8357 PRESSAVG: 3763400 15.1131 -32.4699 9.94532 -32.4699 -9.05141 35.9173 9.94528 35.9173 -11.4633 GPRESSAVG: 3763400 14.5612 -32.4133 11.7666 -31.8577 -7.34616 35.2266 10.3138 36.757 -11.9113 TIMING: 3763400 CPU: 11757, 0.00312397/step Wall: 11757, 0.00312397/step, 1.07308 hours remaining, 235.207031 MB of memory in use. ENERGY: 3763400 4004.3347 20625.9946 14444.7434 264.3139 -203047.1675 2636.6996 0.0000 0.0000 51733.6336 -109337.4477 297.3139 -161071.0814 -108981.8714 298.8969 131.2644 156.0477 763359.7155 -1.8005 -1.5654 PRESSURE: 3763600 -256.842 113.247 -12.2011 113.246 -21.7209 -240.758 -12.2 -240.758 -65.2142 GPRESSURE: 3763600 -215.736 -2.48879 -77.5322 97.3068 15.5377 -206.338 191.377 -223.866 -61.1233 PRESSAVG: 3763600 25.0945 5.42576 75.2041 5.42575 -27.8986 -43.2431 75.2041 -43.243 -28.1136 GPRESSAVG: 3763600 25.509 3.19974 74.5655 3.05284 -28.4719 -42.9625 76.6731 -41.5407 -28.5979 TIMING: 3763600 CPU: 11757.6, 0.00312008/step Wall: 11757.6, 0.00312008/step, 1.07157 hours remaining, 235.207031 MB of memory in use. ENERGY: 3763600 4032.3167 20673.0127 14318.7023 256.3281 -202917.9899 2687.7332 0.0000 0.0000 51666.0164 -109283.8804 296.9253 -160949.8968 -108924.1767 299.0605 -114.5924 -87.1073 764460.7612 -10.3059 -10.5202 PRESSURE: 3763800 57.748 8.5203 -63.9581 8.52037 86.8195 1.35459 -63.9588 1.35441 340.272 GPRESSURE: 3763800 54.191 -38.3674 -72.2401 93.4507 191.644 -30.3894 -19.7531 -41.6446 320.332 PRESSAVG: 3763800 -8.34951 25.1241 30.295 25.124 12.5251 -6.11839 30.295 -6.11834 -3.2965 GPRESSAVG: 3763800 -7.5995 26.0611 30.0022 25.7553 12.0975 -4.13929 30.4004 -8.76374 -3.85034 TIMING: 3763800 CPU: 11758.3, 0.0031427/step Wall: 11758.3, 0.0031427/step, 1.07917 hours remaining, 235.207031 MB of memory in use. ENERGY: 3763800 3905.9528 20380.4005 14484.3432 248.4124 -203111.1977 2675.4932 0.0000 0.0000 52094.2417 -109322.3539 299.3863 -161416.5956 -108959.1862 298.5385 161.6130 188.7226 762299.5218 0.2930 0.2159 PRESSURE: 3764000 56.2599 198.237 271.955 198.237 380.37 -97.5766 271.955 -97.5773 173.49 GPRESSURE: 3764000 143.679 146.819 284.273 226.378 417.416 -33.171 115.967 -91.8066 154.235 PRESSAVG: 3764000 -41.3312 60.0047 5.91136 60.0047 9.05366 51.0459 5.91142 51.0459 -9.63024 GPRESSAVG: 3764000 -40.573 62.387 4.83688 58.3799 8.21049 50.0802 5.46081 51.8861 -9.94223 TIMING: 3764000 CPU: 11758.9, 0.00313832/step Wall: 11758.9, 0.00313832/step, 1.07749 hours remaining, 235.207031 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: 3764000 4009.3626 20331.7955 14457.8284 250.3173 -203312.5015 3061.8730 0.0000 0.0000 51958.8567 -109242.4680 298.6083 -161201.3247 -108871.7006 299.1032 203.3732 238.4433 763994.5676 -13.9693 -14.1016 PRESSURE: 3764200 -203.682 296.562 53.0046 296.562 -73.1638 -88.9841 53.0056 -88.9832 -103.969 GPRESSURE: 3764200 -249.144 238.59 100.189 320.769 -20.4019 -146.324 74.0238 -7.86073 -32.3592 PRESSAVG: 3764200 -10.53 4.92016 24.5452 4.92021 44.2109 20.2219 24.5453 20.2219 -10.7956 GPRESSAVG: 3764200 -13.4106 2.76797 24.61 7.7147 45.1921 20.1738 24.2607 20.2286 -9.70252 TIMING: 3764200 CPU: 11759.5, 0.00312242/step Wall: 11759.5, 0.00312242/step, 1.07186 hours remaining, 235.207031 MB of memory in use. ENERGY: 3764200 4051.0908 20458.5291 14432.7522 239.8037 -203105.7856 2698.9605 0.0000 0.0000 51795.2286 -109429.4207 297.6679 -161224.6493 -109069.9897 298.8707 -126.9385 -100.6350 764846.1553 7.6284 7.3597 LDB: ============= START OF LOAD BALANCING ============== 11772 LDB: ============== END OF LOAD BALANCING =============== 11772 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11772 LDB: ============= START OF LOAD BALANCING ============== 11772.3 LDB: Largest compute 6972 load 0.030734 is 15.7% of average load 0.195232 LDB: Average compute 0.004381 is 2.2% of average load 0.195232 LDB: TIME 11772.3 LOAD: AVG 0.195232 MAX 0.216623 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.52 MB LDB: TIME 11772.3 LOAD: AVG 0.195232 MAX 0.216623 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.52 MB LDB: TIME 11772.3 LOAD: AVG 0.195232 MAX 0.216623 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.52 MB LDB: ============== END OF LOAD BALANCING =============== 11772.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11772.3 PRESSURE: 3764400 -20.8788 -85.3858 -143.071 -85.386 -293.324 66.3754 -143.071 66.3758 465.829 GPRESSURE: 3764400 -34.5457 57.8229 -202.937 -239.411 -119.236 -36.3404 -102.008 50.069 409.968 PRESSAVG: 3764400 -13.3471 -10.2161 0.61784 -10.2161 22.318 -5.73197 0.617833 -5.73191 -10.6919 GPRESSAVG: 3764400 -13.2861 -8.40551 -0.524314 -12.6374 22.8093 -6.23016 1.46791 -5.7927 -11.3975 TIMING: 3764400 CPU: 11760.1, 0.0031938/step Wall: 11760.1, 0.0031938/step, 1.09618 hours remaining, 234.117188 MB of memory in use. ENERGY: 3764400 3900.8306 20405.7872 14397.2727 237.1549 -203244.2644 2801.6757 0.0000 0.0000 52020.0883 -109481.4550 298.9602 -161501.5433 -109108.8448 298.5053 50.5421 85.3954 762762.8764 -0.5737 -0.6248 PRESSURE: 3764600 26.224 138.685 -212.214 138.686 56.3165 9.84117 -212.213 9.84091 -405.492 GPRESSURE: 3764600 38.1744 96.6176 -229.522 109.576 78.5096 6.11369 -99.1801 84.8345 -360.592 PRESSAVG: 3764600 -1.46636 33.8089 -40.6933 33.8089 20.1659 -40.9789 -40.6933 -40.979 -14.8583 GPRESSAVG: 3764600 0.126977 31.5125 -39.2925 34.6126 18.6834 -39.7785 -41.2601 -41.5196 -14.6379 TIMING: 3764600 CPU: 11760.8, 0.00313828/step Wall: 11760.8, 0.00313828/step, 1.07695 hours remaining, 234.117188 MB of memory in use. ENERGY: 3764600 3950.8335 20619.4829 14459.5332 251.2901 -203448.8533 2703.5679 0.0000 0.0000 52039.1048 -109425.0408 299.0695 -161464.1456 -109068.2282 298.9443 -107.6507 -81.3028 762740.1928 1.2804 1.3908 PRESSURE: 3764800 -148.354 -60.1354 207.27 -60.1356 -74.6893 65.0298 207.27 65.0295 -281.884 GPRESSURE: 3764800 -140.661 14.6631 126.231 -137.584 -68.0311 111.762 262.712 11.9929 -222.849 PRESSAVG: 3764800 -7.87841 -36.3432 4.11112 -36.3432 11.6256 32.3039 4.11114 32.3039 16.003 GPRESSAVG: 3764800 -7.67332 -34.7399 3.74576 -35.7331 11.0485 32.0808 3.51885 31.1249 15.5796 TIMING: 3764800 CPU: 11761.4, 0.0031532/step Wall: 11761.4, 0.00315321/step, 1.0819 hours remaining, 234.117188 MB of memory in use. ENERGY: 3764800 3927.6434 20562.8269 14350.3681 234.2289 -202851.1487 2572.7065 0.0000 0.0000 51919.7015 -109283.6732 298.3832 -161203.3748 -108930.1400 298.8597 -168.3091 -143.8470 763376.4863 6.5834 6.3183 PRESSURE: 3765000 -162.796 100.999 -114.736 101 -170.023 139.861 -114.736 139.861 -111.36 GPRESSURE: 3765000 -101.724 -49.199 -59.6363 127.422 -150.553 181.507 51.0268 165.317 -135.08 PRESSAVG: 3765000 25.0624 29.4532 32.5348 29.4531 -22.8469 -69.5584 32.5348 -69.5584 -7.85419 GPRESSAVG: 3765000 23.3146 27.007 31.4865 28.6866 -21.2001 -68.5485 32.5494 -68.7234 -7.88726 TIMING: 3765000 CPU: 11762, 0.00314365/step Wall: 11762, 0.00314365/step, 1.07845 hours remaining, 234.117188 MB of memory in use. ENERGY: 3765000 3924.7902 20584.6011 14385.2586 228.4339 -202824.4886 2487.0158 0.0000 0.0000 51722.5923 -109491.7966 297.2504 -161214.3889 -109125.4063 298.8792 -148.0594 -129.1190 765048.5886 -1.8796 -1.9243 PRESSURE: 3765200 110.134 -107.73 32.2708 -107.731 222.551 72.304 32.2709 72.3037 -378.983 GPRESSURE: 3765200 170.423 -178.853 -14.8164 -56.4425 133.022 61.8882 39.5444 2.07463 -270.245 PRESSAVG: 3765200 -22.9864 43.8286 -12.866 43.8286 13.6498 13.2891 -12.866 13.2891 11.5851 GPRESSAVG: 3765200 -21.2033 46.0646 -11.923 44.6129 11.4183 11.4371 -13.0992 14.5799 11.8881 TIMING: 3765200 CPU: 11762.7, 0.00314516/step Wall: 11762.7, 0.00314516/step, 1.07879 hours remaining, 234.117188 MB of memory in use. ENERGY: 3765200 3921.0424 20444.0624 14412.6656 255.9671 -203468.2322 2954.8916 0.0000 0.0000 52086.8435 -109392.7596 299.3438 -161479.6031 -109020.4791 298.2852 -15.4328 11.0668 763600.4002 0.7495 0.7010 PRESSURE: 3765400 -205.126 191.947 87.3246 191.947 194.153 -83.7939 87.3243 -83.7936 -362.257 GPRESSURE: 3765400 -275.715 166.554 118.889 225.505 316.721 -70.3329 16.4648 -124.569 -330.674 PRESSAVG: 3765400 -3.25407 -19.8435 -15.0923 -19.8434 10.4284 -15.5348 -15.0923 -15.5349 -18.9899 GPRESSAVG: 3765400 -4.34122 -20.9128 -15.2126 -19.8471 11.7929 -14.7788 -16.7384 -13.8624 -19.4699 TIMING: 3765400 CPU: 11763.3, 0.00315113/step Wall: 11763.3, 0.00315113/step, 1.08066 hours remaining, 234.117188 MB of memory in use. ENERGY: 3765400 3994.4394 20609.8282 14434.4527 256.7581 -202845.2148 2518.2314 0.0000 0.0000 51930.4425 -109101.0624 298.4450 -161031.5049 -108740.3706 299.4171 -124.4101 -96.5559 762083.6369 -3.9385 -4.0061 PRESSURE: 3765600 -280.963 -214.604 -324.695 -214.604 -531.635 160.959 -324.695 160.959 -313.477 GPRESSURE: 3765600 -289.02 -251.92 -347.844 -67.9476 -464.387 118.198 -192.23 173.541 -286.279 PRESSAVG: 3765600 13.3273 46.4517 -21.7212 46.4516 23.1695 -14.324 -21.7211 -14.324 22.7995 GPRESSAVG: 3765600 12.3299 49.2782 -21.7784 45.9275 24.0623 -13.4617 -19.0423 -15.2693 22.5326 TIMING: 3765600 CPU: 11763.9, 0.00314125/step Wall: 11763.9, 0.00314125/step, 1.0771 hours remaining, 234.117188 MB of memory in use. ENERGY: 3765600 4041.5394 20394.7201 14403.5852 250.1568 -202923.4188 2456.0748 0.0000 0.0000 51969.7798 -109407.5627 298.6710 -161377.3426 -109039.7513 298.8805 -375.3582 -346.5620 762525.4448 19.7654 19.6416 PRESSURE: 3765800 148.374 285.135 -187.999 285.135 -57.4715 -31.9936 -187.998 -31.9944 167.177 GPRESSURE: 3765800 187.938 230.063 -210.334 267.113 0.599978 -64.4962 -128.597 -48.7836 151.099 PRESSAVG: 3765800 -14.3946 -14.0152 -21.4113 -14.0151 -18.7436 -26.7685 -21.4114 -26.7684 -9.95894 GPRESSAVG: 3765800 -13.6671 -15.7993 -22.067 -14.0099 -19.774 -27.613 -21.8373 -27.2133 -9.67056 TIMING: 3765800 CPU: 11764.5, 0.00313301/step Wall: 11764.5, 0.00313301/step, 1.0741 hours remaining, 234.117188 MB of memory in use. ENERGY: 3765800 3977.0960 20586.2583 14430.9910 250.0803 -203832.6334 2995.6234 0.0000 0.0000 52119.6261 -109472.9582 299.5322 -161592.5844 -109107.5803 298.6732 86.0266 113.2123 761668.8054 -14.3657 -14.3706 PRESSURE: 3766000 -64.6176 -24.6831 142.441 -24.6837 -59.0181 -166.13 142.442 -166.13 37.181 GPRESSURE: 3766000 34.3135 -21.6082 116.706 -56.64 -17.8007 -198.749 94.6158 -102.698 -10.9046 PRESSAVG: 3766000 1.50597 22.6115 -8.18462 22.6115 19.5087 -25.2518 -8.18457 -25.2518 6.18084 GPRESSAVG: 3766000 2.40257 21.3318 -7.83233 19.3926 18.6533 -25.4003 -8.37922 -26.7638 6.41998 TIMING: 3766000 CPU: 11765.2, 0.00312926/step Wall: 11765.2, 0.00312926/step, 1.07264 hours remaining, 234.117188 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: 3766000 3947.0152 20447.9240 14411.7433 287.4099 -203249.9006 2677.1814 0.0000 0.0000 52217.8483 -109260.7785 300.0967 -161478.6268 -108896.1768 298.7712 -28.8182 1.8694 764288.1240 9.0652 9.1586 PRESSURE: 3766200 -523.608 -46.6467 -104.453 -46.6471 -144.041 83.5595 -104.453 83.56 0.870906 GPRESSURE: 3766200 -393.376 18.9443 -83.0483 48.11 -129.121 82.2497 -108.074 -25.2162 -56.1511 PRESSAVG: 3766200 -52.8695 -11.048 29.4753 -11.0481 28.4331 -8.00406 29.4753 -8.00406 -10.2713 GPRESSAVG: 3766200 -52.9758 -11.1274 28.1372 -6.55865 29.6386 -7.89516 29.6707 -7.94303 -11.4663 TIMING: 3766200 CPU: 11765.8, 0.00312887/step Wall: 11765.8, 0.00312887/step, 1.07233 hours remaining, 234.117188 MB of memory in use. ENERGY: 3766200 4056.2542 20477.6741 14440.1542 239.7171 -203406.7200 2824.7487 0.0000 0.0000 52057.4734 -109310.6983 299.1750 -161368.1717 -108941.6624 299.1764 -222.2593 -192.8827 764330.2772 -11.5693 -11.6012 PRESSURE: 3766400 -223.208 -69.1682 34.9436 -69.1676 -1.74554 -235.02 34.9439 -235.02 -225.541 GPRESSURE: 3766400 -224.315 -138.884 146.945 -18.6937 63.018 -260.308 -8.67547 -124.379 -212.719 PRESSAVG: 3766400 -38.6082 -34.2477 -19.475 -34.2478 39.2116 8.01603 -19.4751 8.01597 0.756105 GPRESSAVG: 3766400 -40.0843 -33.6756 -19.2654 -36.9216 39.9688 8.67691 -19.408 8.7206 1.72843 TIMING: 3766400 CPU: 11766.4, 0.00312985/step Wall: 11766.4, 0.00312985/step, 1.07249 hours remaining, 234.117188 MB of memory in use. ENERGY: 3766400 3966.4441 20586.6594 14494.5691 239.9629 -202879.3085 2557.0341 0.0000 0.0000 51766.9378 -109267.7011 297.5053 -161034.6388 -108902.0668 299.2111 -150.1648 -124.6719 763190.3532 0.4532 0.5376 PRESSURE: 3766600 -329.023 48.6296 30.0058 48.6292 -87.3267 83.3779 30.005 83.3787 -222.214 GPRESSURE: 3766600 -317.916 18.2879 -113.169 74.6908 -91.9417 56.9816 59.7817 40.2415 -123.443 PRESSAVG: 3766600 -20.5792 -55.1677 -28.6651 -55.1677 40.9513 -21.6153 -28.6651 -21.6153 7.58928 GPRESSAVG: 3766600 -20.669 -54.9978 -29.4925 -54.633 39.8845 -20.918 -29.8523 -20.4081 8.95953 TIMING: 3766600 CPU: 11767.1, 0.00312991/step Wall: 11767.1, 0.00312991/step, 1.07234 hours remaining, 234.117188 MB of memory in use. ENERGY: 3766600 3977.7484 20614.2173 14416.8377 256.7893 -203069.8278 2644.8036 0.0000 0.0000 52212.2974 -108947.1341 300.0648 -161159.4315 -108574.7505 299.3482 -212.8545 -177.7670 763546.3116 9.3204 9.3917 PRESSURE: 3766800 -168.366 -325.941 -58.2073 -325.942 -2.38236 73.3419 -58.2073 73.341 -85.0879 GPRESSURE: 3766800 -115.164 -260.017 -22.5117 -212.877 -3.41117 17.8356 -78.0912 -43.7927 -48.337 PRESSAVG: 3766800 13.4621 -15.9607 -8.21696 -15.9607 28.315 12.1679 -8.217 12.1679 -22.8815 GPRESSAVG: 3766800 15.1828 -16.0189 -6.34011 -14.4134 28.4914 11.22 -8.48221 10.2997 -25.1355 TIMING: 3766800 CPU: 11767.7, 0.00312525/step Wall: 11767.7, 0.00312525/step, 1.07057 hours remaining, 234.117188 MB of memory in use. ENERGY: 3766800 3922.6734 20468.3326 14427.9330 228.7321 -202514.2428 2379.0031 0.0000 0.0000 52221.2137 -108866.3550 300.1160 -161087.5687 -108488.3563 299.6922 -85.2789 -55.6374 765851.2668 6.2985 6.1796 PRESSURE: 3767000 53.6424 112.279 -119.609 112.279 -207.78 -35.0312 -119.609 -35.0303 -119.852 GPRESSURE: 3767000 70.8389 77.3673 -94.1323 3.18162 -173.15 -77.7769 -198.921 -27.9418 -96.1555 PRESSAVG: 3767000 24.4407 -13.1591 -18.4 -13.1591 -14.2003 -10.4515 -18.4 -10.4515 -16.6073 GPRESSAVG: 3767000 24.0097 -15.1855 -18.7876 -13.7065 -13.6202 -9.45866 -18.7045 -10.8619 -16.4684 TIMING: 3767000 CPU: 11768.3, 0.00314744/step Wall: 11768.3, 0.00314744/step, 1.078 hours remaining, 234.117188 MB of memory in use. ENERGY: 3767000 3928.2330 20477.9421 14520.6158 231.9893 -202864.0847 2486.4963 0.0000 0.0000 52037.5454 -109181.2628 299.0605 -161218.8082 -108806.9029 299.4850 -91.3298 -66.1555 763209.8499 -2.1223 -2.0263 PRESSURE: 3767200 -82.6231 -14.6203 -251.053 -14.6208 -283.749 -45.4908 -251.053 -45.491 118.201 GPRESSURE: 3767200 -72.218 75.9232 -147.628 75.2562 -188.768 -61.9814 -87.6578 19.1486 91.7265 PRESSAVG: 3767200 38.7936 9.48556 9.0368 9.48557 8.00872 42.9723 9.03688 42.9723 -17.4192 GPRESSAVG: 3767200 39.3802 12.1017 10.8219 9.61522 6.67838 41.8532 11.3038 45.2247 -16.5885 TIMING: 3767200 CPU: 11768.9, 0.003107/step Wall: 11768.9, 0.003107/step, 1.06398 hours remaining, 234.117188 MB of memory in use. ENERGY: 3767200 4029.7654 20653.9703 14523.5575 227.3260 -203438.9027 2730.5959 0.0000 0.0000 51853.7988 -109419.8887 298.0045 -161273.6875 -109066.9707 299.0788 -82.7237 -56.4197 761870.7370 9.7944 9.8234 PRESSURE: 3767400 83.5344 102.744 60.1394 102.744 189.665 -194.425 60.1387 -194.424 248.931 GPRESSURE: 3767400 49.6601 17.4087 15.3391 141.073 232.923 -195.728 56.3955 -154.646 292.423 PRESSAVG: 3767400 -17.5751 -24.9798 -54.5515 -24.9797 4.42406 -41.4103 -54.5515 -41.4103 3.02676 GPRESSAVG: 3767400 -19.2101 -25.3705 -55.0218 -24.8933 5.77889 -40.092 -56.6735 -43.1659 3.33616 TIMING: 3767400 CPU: 11769.6, 0.00316059/step Wall: 11769.6, 0.00316059/step, 1.08215 hours remaining, 234.117188 MB of memory in use. ENERGY: 3767400 3942.0806 20523.2622 14433.0909 238.4063 -203424.6127 2860.6946 0.0000 0.0000 52195.3514 -109231.7268 299.9674 -161427.0782 -108869.0444 299.0011 174.0435 191.6688 760197.7025 -3.3748 -3.3650 PRESSURE: 3767600 -552.238 -95.627 86.4887 -95.6272 -145.933 -239.711 86.488 -239.712 159.944 GPRESSURE: 3767600 -500.782 -129.276 42.8578 -142.372 -37.331 -197.412 72.1878 -162.625 85.9694 PRESSAVG: 3767600 -49.9209 -45.943 -57.5712 -45.943 45.142 8.94613 -57.5712 8.94615 -19.2619 GPRESSAVG: 3767600 -50.3261 -45.9008 -58.6504 -47.0404 45.8014 6.7448 -58.7722 9.80343 -19.7939 TIMING: 3767600 CPU: 11770.2, 0.00314531/step Wall: 11770.2, 0.00314531/step, 1.07674 hours remaining, 234.117188 MB of memory in use. ENERGY: 3767600 3997.4770 20559.8545 14409.8721 249.0728 -203163.1607 2540.4736 0.0000 0.0000 52265.9855 -109140.4252 300.3733 -161406.4106 -108777.1501 299.2002 -179.4088 -150.7146 762678.7719 -8.0136 -8.1062 PRESSURE: 3767800 -229.652 56.8323 -90.2268 56.8324 -436.545 -35.9455 -90.2272 -35.9454 -146.881 GPRESSURE: 3767800 -296.788 41.3396 -69.158 -56.6046 -279.344 -3.85012 -251.241 -21.8448 -156.373 PRESSAVG: 3767800 -64.5225 -30.0929 19.5675 -30.0929 43.7451 -6.52635 19.5676 -6.52643 -5.46448 GPRESSAVG: 3767800 -63.9044 -30.9631 16.8781 -29.4898 42.29 -4.37602 22.1866 -6.12146 -4.6346 TIMING: 3767800 CPU: 11770.8, 0.00315998/step Wall: 11770.8, 0.00315998/step, 1.08159 hours remaining, 234.117188 MB of memory in use. ENERGY: 3767800 4009.7696 20675.6767 14391.9674 251.2899 -203623.7292 2874.3640 0.0000 0.0000 52005.1351 -109415.5265 298.8742 -161420.6615 -109071.1933 299.6392 -271.0258 -244.1682 763914.6468 -8.7473 -8.7497 PRESSURE: 3768000 -153.753 40.0923 166.129 40.0914 219.393 107.987 166.129 107.988 -149.709 GPRESSURE: 3768000 -6.04632 42.6427 118.778 92.5588 184.785 143.578 146.705 -9.18986 -169.091 PRESSAVG: 3768000 -1.32156 -15.3637 -17.8763 -15.3637 -27.0974 -38.4668 -17.8763 -38.4668 10.8645 GPRESSAVG: 3768000 -0.227294 -15.6849 -15.8927 -14.7944 -27.4899 -38.0485 -18.401 -39.2831 10.5836 TIMING: 3768000 CPU: 11771.5, 0.00314272/step Wall: 11771.5, 0.00314271/step, 1.07551 hours remaining, 234.117188 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: 3768000 3958.2668 20534.4673 14355.6621 242.4276 -203504.8432 2677.2068 0.0000 0.0000 52098.9684 -109637.8442 299.4135 -161736.8126 -109282.6438 299.1419 -28.0231 3.2159 762481.4661 -5.8515 -5.7112 PRESSURE: 3768200 147.073 104.052 169.737 104.052 -98.8498 -32.0077 169.737 -32.0073 318.414 GPRESSURE: 3768200 130.627 63.0544 240.045 80.7155 -36.7735 -151.473 137.75 -15.4091 357.682 PRESSAVG: 3768200 -40.8291 -8.63614 -30.043 -8.63614 25.9504 -67.4632 -30.043 -67.4633 9.67197 GPRESSAVG: 3768200 -40.9934 -6.98169 -29.8226 -8.05621 26.5319 -68.8681 -30.2442 -66.921 9.88745 TIMING: 3768200 CPU: 11772.1, 0.00312977/step Wall: 11772.1, 0.00312977/step, 1.0709 hours remaining, 234.117188 MB of memory in use. ENERGY: 3768200 3982.6384 20525.9235 14402.2136 254.2985 -203415.4481 2775.5898 0.0000 0.0000 51821.8826 -109652.9017 297.8211 -161474.7843 -109298.0872 298.3957 122.2123 150.5118 762357.2634 -1.7356 -1.5247 LDB: ============= START OF LOAD BALANCING ============== 11784.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11784.6 LDB: =============== DONE WITH MIGRATION ================ 11784.6 LDB: ============= START OF LOAD BALANCING ============== 11784.9 LDB: Largest compute 6998 load 0.027905 is 14.3% of average load 0.195279 LDB: Average compute 0.004360 is 2.2% of average load 0.195279 LDB: TIME 11784.9 LOAD: AVG 0.195279 MAX 0.213366 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.117 MB LDB: TIME 11784.9 LOAD: AVG 0.195279 MAX 0.213366 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.316 MB LDB: TIME 11784.9 LOAD: AVG 0.195279 MAX 0.213366 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.316 MB LDB: ============== END OF LOAD BALANCING =============== 11784.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11784.9 PRESSURE: 3768400 117.595 -264.938 -91.0657 -264.938 49.7254 156.64 -91.0656 156.639 482.067 GPRESSURE: 3768400 150.219 -218.717 -90.7506 -342.463 80.9293 78.872 -48.6079 23.7887 481.478 PRESSAVG: 3768400 -31.6301 -29.1634 -17.8701 -29.1635 26.7211 -30.4375 -17.8701 -30.4376 -10.6167 GPRESSAVG: 3768400 -31.7589 -31.7 -17.0255 -28.9285 27.0289 -30.4451 -19.929 -29.8205 -10.4344 TIMING: 3768400 CPU: 11772.7, 0.00324391/step Wall: 11772.7, 0.00324391/step, 1.10978 hours remaining, 234.886719 MB of memory in use. ENERGY: 3768400 4019.3192 20561.3431 14431.6388 259.9944 -203479.2975 2766.9342 0.0000 0.0000 52002.4052 -109437.6626 298.8585 -161440.0678 -109089.2476 298.7086 216.4625 237.5420 761783.2637 -5.1752 -5.0548 PRESSURE: 3768600 103.953 -157.447 -32.3417 -157.447 -253.103 -153.562 -32.3416 -153.562 312.118 GPRESSURE: 3768600 83.8558 -125.03 -40.0933 -155.342 -157.569 -76.2383 -55.9483 -108.693 315.962 PRESSAVG: 3768600 -42.6004 -30.8671 13.6955 -30.867 44.0811 -7.31372 13.6956 -7.31376 -1.72925 GPRESSAVG: 3768600 -43.1554 -30.5143 13.7928 -32.5542 44.0804 -6.12156 16.0695 -9.59185 -1.11263 TIMING: 3768600 CPU: 11773.4, 0.00317838/step Wall: 11773.4, 0.00317838/step, 1.08718 hours remaining, 235.347656 MB of memory in use. ENERGY: 3768600 4027.5135 20330.2687 14471.2984 257.2825 -202844.2142 2395.0727 0.0000 0.0000 52149.3737 -109213.4047 299.7032 -161362.7785 -108851.3746 299.6826 54.3225 80.7495 762772.8243 -0.0829 -0.0625 PRESSURE: 3768800 -512.243 -72.1694 60.3094 -72.1687 -98.5311 15.5789 60.3096 15.5793 492.367 GPRESSURE: 3768800 -399.526 -105.64 64.658 -20.4192 -85.9904 100.994 117.217 -7.46838 473.294 PRESSAVG: 3768800 -22.6527 -75.4006 42.4776 -75.4005 34.3535 -20.4161 42.4775 -20.4162 3.50345 GPRESSAVG: 3768800 -22.5158 -73.66 41.9551 -77.4199 35.242 -22.5996 41.2831 -18.4187 2.87012 TIMING: 3768800 CPU: 11774, 0.00316088/step Wall: 11774, 0.00316088/step, 1.08102 hours remaining, 235.347656 MB of memory in use. ENERGY: 3768800 4047.3634 20349.8500 14471.4460 239.6223 -202978.2337 2576.3934 0.0000 0.0000 52106.3571 -109187.2015 299.4560 -161293.5587 -108831.8053 299.3781 -39.4691 -4.0740 761984.9628 5.0681 5.1988 PRESSURE: 3769000 84.7191 -26.9525 160.292 -26.9537 264.085 159.494 160.291 159.495 494.611 GPRESSURE: 3769000 62.9708 49.5515 109.106 -31.749 389.48 167.614 156.806 180.067 490.296 PRESSAVG: 3769000 12.5414 -20.7539 36.6172 -20.7539 11.1871 38.9074 36.6172 38.9074 -6.59259 GPRESSAVG: 3769000 12.3863 -20.1905 36.4321 -18.2384 10.8575 39.4631 37.7544 38.8741 -5.41622 TIMING: 3769000 CPU: 11774.6, 0.00316833/step Wall: 11774.6, 0.00316833/step, 1.08339 hours remaining, 235.347656 MB of memory in use. ENERGY: 3769000 3984.4987 20485.4019 14362.8671 259.7225 -203394.1805 2998.3972 0.0000 0.0000 51865.3581 -109437.9352 298.0709 -161303.2933 -109094.2976 299.3600 281.1383 314.2490 761771.7260 5.7120 5.9425 PRESSURE: 3769200 -219.363 -13.8673 -109.918 -13.8672 -111.943 0.308217 -109.919 0.308653 81.5294 GPRESSURE: 3769200 -191.927 -52.8333 -16.1431 -82.8378 -33.7598 -25.8629 -199.798 18.2384 65.508 PRESSAVG: 3769200 9.58521 -25.6826 -16.3004 -25.6826 30.5734 -21.5963 -16.3004 -21.5963 1.4308 GPRESSAVG: 3769200 10.4766 -27.2172 -16.5362 -25.3752 31.2129 -21.4594 -18.9854 -21.424 -0.271367 TIMING: 3769200 CPU: 11775.3, 0.00317019/step Wall: 11775.3, 0.00317019/step, 1.08385 hours remaining, 235.347656 MB of memory in use. ENERGY: 3769200 4013.7312 20495.9828 14412.1958 246.1187 -203275.7579 2714.0012 0.0000 0.0000 51957.3471 -109436.3809 298.5996 -161393.7281 -109075.7551 298.9721 -83.2591 -53.3930 761865.9719 13.8631 13.8060 PRESSURE: 3769400 -37.326 -202.148 108.443 -202.148 5.25025 -18.1413 108.442 -18.1405 -200.706 GPRESSURE: 3769400 1.96924 -158.25 88.5451 -154.845 23.6478 -14.6652 142.569 -46.8333 -180.642 PRESSAVG: 3769400 -44.3542 -15.0158 14.3824 -15.0158 54.2508 -18.4027 14.3824 -18.4028 -8.66919 GPRESSAVG: 3769400 -44.463 -12.9386 13.9472 -16.5371 54.0247 -18.7868 16.8785 -20.4414 -8.58227 TIMING: 3769400 CPU: 11775.9, 0.0031258/step Wall: 11775.9, 0.0031258/step, 1.0685 hours remaining, 235.347656 MB of memory in use. ENERGY: 3769400 3998.3180 20411.9409 14402.1042 261.2152 -203179.9920 2536.2517 0.0000 0.0000 51940.4554 -109629.7066 298.5025 -161570.1620 -109273.1002 298.8682 -77.5941 -51.6751 760901.7599 0.4091 0.3265 PRESSURE: 3769600 -390.037 -168.612 28.9444 -168.612 -334.096 -171.05 28.9438 -171.05 479.94 GPRESSURE: 3769600 -367.2 -27.8034 17.4006 -167.593 -256.619 -147.425 -98.2324 -74.5868 449.584 PRESSAVG: 3769600 50.104 -26.0831 33.0148 -26.0832 -41.6481 -32.4349 33.0148 -32.4349 20.0545 GPRESSAVG: 3769600 49.4346 -26.8218 34.7565 -24.5016 -41.7221 -30.4234 32.6657 -32.1058 21.433 TIMING: 3769600 CPU: 11776.5, 0.00311777/step Wall: 11776.5, 0.00311777/step, 1.06559 hours remaining, 235.347656 MB of memory in use. ENERGY: 3769600 3978.1692 20494.0971 14359.7300 229.3326 -203138.5832 2563.2234 0.0000 0.0000 51844.5699 -109669.4611 297.9515 -161514.0310 -109311.2186 298.1021 -81.3977 -58.0783 761530.9433 9.5035 9.7152 PRESSURE: 3769800 -163.549 21.1687 142.388 21.1685 -160.233 -47.0831 142.387 -47.0827 -116.987 GPRESSURE: 3769800 -139.048 -5.25776 120.798 -100.292 -105.027 -22.0907 107.675 -59.9865 -118.755 PRESSAVG: 3769800 -7.37568 -22.6618 6.25175 -22.6618 -24.2821 8.19666 6.25175 8.19669 13.7335 GPRESSAVG: 3769800 -8.36425 -24.1159 4.15616 -24.7574 -24.2048 8.29008 6.50506 9.82332 15.063 TIMING: 3769800 CPU: 11777.1, 0.00314526/step Wall: 11777.1, 0.00314526/step, 1.07481 hours remaining, 235.347656 MB of memory in use. ENERGY: 3769800 4001.7830 20351.7000 14393.6047 252.3477 -203620.4742 3047.6731 0.0000 0.0000 52103.1911 -109470.1747 299.4378 -161573.3658 -109099.3647 298.5022 -146.9231 -120.9435 763413.3656 -5.9748 -5.8353 PRESSURE: 3770000 13.8565 29.1084 373.331 29.1078 -97.2984 211.359 373.33 211.361 -414.662 GPRESSURE: 3770000 55.708 13.8315 339.405 67.215 -37.414 114.034 229.691 180.366 -451.941 PRESSAVG: 3770000 47.5349 -21.0055 23.4242 -21.0055 -12.7309 -22.1038 23.4242 -22.1037 -15.15 GPRESSAVG: 3770000 48.4954 -21.5839 24.1842 -17.8411 -12.1325 -23.6272 22.9848 -23.9361 -16.7423 TIMING: 3770000 CPU: 11777.8, 0.00313665/step Wall: 11777.8, 0.00313665/step, 1.07169 hours remaining, 235.347656 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: 3770000 3990.7134 20499.6990 14498.9109 254.7274 -203617.5078 2738.8449 0.0000 0.0000 51942.8207 -109691.7914 298.5161 -161634.6122 -109329.3918 299.0360 -166.0348 -144.5491 761769.3224 6.5513 6.5402 PRESSURE: 3770200 -284.909 163.229 -3.63973 163.229 28.6386 192.58 -3.63882 192.581 -353.233 GPRESSURE: 3770200 -171.456 44.5949 25.9903 156.458 -43.9563 107.602 -57.43 44.4937 -305.168 PRESSAVG: 3770200 -53.4437 -4.65513 3.02591 -4.65515 42.6609 -2.47376 3.02588 -2.47377 -17.204 GPRESSAVG: 3770200 -52.8499 -3.49733 2.48048 -4.32399 41.5557 -3.42964 2.64904 -2.37169 -16.3303 TIMING: 3770200 CPU: 11778.4, 0.00312737/step Wall: 11778.4, 0.00312737/step, 1.06835 hours remaining, 235.347656 MB of memory in use. ENERGY: 3770200 3892.0699 20481.2904 14367.1655 264.5258 -203158.5986 2622.0249 0.0000 0.0000 51937.2899 -109594.2322 298.4843 -161531.5221 -109235.3412 298.6113 -203.1679 -173.5271 762527.9169 -9.3289 -9.2082 PRESSURE: 3770400 -393.736 -58.2923 -226.427 -58.2918 -53.325 79.1865 -226.427 79.1857 -94.5705 GPRESSURE: 3770400 -397.122 -68.3305 -134.093 -77.0729 -35.8929 31.255 -213.903 175.903 -59.6329 PRESSAVG: 3770400 -9.14663 -19.1176 37.5384 -19.1176 11.3272 -29.2385 37.5384 -29.2385 -19.8419 GPRESSAVG: 3770400 -8.09886 -17.7251 39.1335 -19.9382 10.5973 -27.4472 40.1399 -26.9042 -19.837 TIMING: 3770400 CPU: 11779, 0.00313157/step Wall: 11779, 0.00313157/step, 1.0696 hours remaining, 235.347656 MB of memory in use. ENERGY: 3770400 4030.0353 20509.7637 14359.9615 246.1378 -203352.1675 2650.6964 0.0000 0.0000 52035.4249 -109520.1479 299.0483 -161555.5728 -109164.7402 298.6024 -180.5440 -164.2160 761877.6241 -5.8871 -5.7795 PRESSURE: 3770600 -293.284 46.7261 -134.055 46.7253 89.9057 -38.4106 -134.054 -38.4098 -163.337 GPRESSURE: 3770600 -185.851 68.4168 -84.2095 38.5897 31.4836 -86.3798 -138.139 -37.3363 -148.721 PRESSAVG: 3770600 -77.8679 14.1879 59.1663 14.1879 37.5144 -35.1873 59.1664 -35.1872 31.3445 GPRESSAVG: 3770600 -79.3456 14.9811 57.1299 11.5355 38.7773 -36.0272 57.3207 -36.4183 31.3143 TIMING: 3770600 CPU: 11779.6, 0.00313804/step Wall: 11779.6, 0.00313804/step, 1.07164 hours remaining, 235.347656 MB of memory in use. ENERGY: 3770600 3986.7997 20422.1440 14383.5640 249.4671 -203039.4101 2409.0345 0.0000 0.0000 51950.3236 -109638.0771 298.5592 -161588.4007 -109266.7580 298.4021 -122.2386 -101.0296 761711.7969 -3.0030 -3.0847 PRESSURE: 3770800 118.668 53.8911 -135.625 53.8921 -321.783 198.962 -135.626 198.961 231.962 GPRESSURE: 3770800 85.9251 -38.1293 -147.585 113.984 -234.644 215.514 -83.3332 217.24 229.343 PRESSAVG: 3770800 -34.8688 47.0028 15.1314 47.0028 50.276 11.6139 15.1314 11.6139 4.17123 GPRESSAVG: 3770800 -34.1393 47.5166 16.2643 48.769 50.1962 13.0291 15.3145 10.8586 4.00176 TIMING: 3770800 CPU: 11780.3, 0.00314808/step Wall: 11780.3, 0.00314808/step, 1.07489 hours remaining, 235.347656 MB of memory in use. ENERGY: 3770800 4010.9987 20405.6371 14403.4089 250.6987 -203328.6684 2838.3024 0.0000 0.0000 52092.1203 -109327.5024 299.3741 -161419.6227 -108953.7517 298.9811 9.6157 26.8747 764269.0428 6.5262 6.6862 PRESSURE: 3771000 -268.201 -25.5517 -110.535 -25.5514 50.6476 181.364 -110.534 181.363 -160.606 GPRESSURE: 3771000 -279.151 -19.3809 -75.057 -48.1016 98.5051 94.7523 -108.93 236.574 -96.7956 PRESSAVG: 3771000 -17.2384 10.5219 -15.3958 10.522 7.8152 10.48 -15.3957 10.48 24.4397 GPRESSAVG: 3771000 -17.0996 9.72549 -15.0475 10.5689 6.35042 9.51581 -15.5665 12.7061 25.3513 TIMING: 3771000 CPU: 11780.9, 0.0031225/step Wall: 11780.9, 0.0031225/step, 1.06599 hours remaining, 235.347656 MB of memory in use. ENERGY: 3771000 3971.5482 20554.6562 14500.2619 245.6950 -203124.7387 2613.2243 0.0000 0.0000 51919.5005 -109319.8525 298.3821 -161239.3530 -108958.8315 298.9785 -126.0532 -92.4804 762998.9655 5.0055 4.8674 PRESSURE: 3771200 -163.53 146.547 143.272 146.548 -102.929 -101.497 143.271 -101.498 -256.079 GPRESSURE: 3771200 -38.8931 110.027 82.0916 145.459 -182.245 -223.955 239.075 -170.721 -212.624 PRESSAVG: 3771200 -10.3365 -15.0026 -13.7308 -15.0026 31.5435 9.53976 -13.7307 9.53971 -12.6847 GPRESSAVG: 3771200 -10.4385 -14.5192 -15.1701 -15.0067 32.7228 10.4571 -12.5357 6.44903 -13.6296 TIMING: 3771200 CPU: 11781.5, 0.00313358/step Wall: 11781.5, 0.00313358/step, 1.0696 hours remaining, 235.347656 MB of memory in use. ENERGY: 3771200 3968.7036 20498.5335 14527.1453 226.2423 -203233.4714 2784.4757 0.0000 0.0000 51918.8390 -109309.5320 298.3783 -161228.3710 -108945.1954 299.2790 -174.1792 -144.5872 763150.7678 2.8408 2.8849 PRESSURE: 3771400 -251.457 159.277 -2.04922 159.277 -184.909 124.378 -2.04954 124.378 -36.3597 GPRESSURE: 3771400 -198.623 -3.59544 -2.19955 208.104 -121.041 68.6621 91.3742 201.251 -71.9819 PRESSAVG: 3771400 14.7277 -11.2797 2.40632 -11.2798 34.4257 20.2071 2.40636 20.207 17.9467 GPRESSAVG: 3771400 15.2324 -11.5798 2.93897 -11.4563 34.0082 19.8548 2.4375 20.5579 17.9301 TIMING: 3771400 CPU: 11782.2, 0.00312254/step Wall: 11782.2, 0.00312254/step, 1.06565 hours remaining, 235.347656 MB of memory in use. ENERGY: 3771400 4004.9787 20595.0010 14442.4258 237.5414 -203257.5531 2608.4836 0.0000 0.0000 52072.8619 -109296.2607 299.2635 -161369.1226 -108926.2341 298.8266 -157.5750 -130.5486 762846.2931 22.3667 22.3902 PRESSURE: 3771600 7.64398 -213.013 -32.1727 -213.012 -135.705 133.707 -32.172 133.707 -564.696 GPRESSURE: 3771600 44.4122 -239.193 -52.9043 -168.863 -106.74 190.304 -102.191 116.091 -552.028 PRESSAVG: 3771600 -6.89275 -24.516 5.91907 -24.516 29.5834 24.0162 5.91907 24.0163 7.09203 GPRESSAVG: 3771600 -7.51289 -25.4807 5.23211 -24.0645 29.8532 23.4937 6.00881 24.367 7.50704 TIMING: 3771600 CPU: 11782.8, 0.00315003/step Wall: 11782.8, 0.00315003/step, 1.07486 hours remaining, 235.402344 MB of memory in use. ENERGY: 3771600 4004.2209 20486.5802 14394.1907 258.2854 -203141.6168 2634.1099 0.0000 0.0000 51975.8417 -109388.3879 298.7059 -161364.2296 -109026.5244 298.8409 -230.9189 -204.7851 761818.6350 9.9276 9.9491 PRESSURE: 3771800 -482.609 0.844103 123.995 0.843675 100.994 81.2711 123.994 81.2724 -177.007 GPRESSURE: 3771800 -351.509 33.7697 59.0592 -37.7908 72.8281 65.9364 158.513 117.777 -200.378 PRESSAVG: 3771800 -1.46297 1.07793 0.385519 1.07793 49.0042 49.406 0.38555 49.4061 -3.83624 GPRESSAVG: 3771800 -1.45291 3.14316 0.666956 -0.248647 49.3359 51.8291 0.49826 49.3816 -3.91378 TIMING: 3771800 CPU: 11783.4, 0.00315519/step Wall: 11783.4, 0.00315519/step, 1.07645 hours remaining, 235.402344 MB of memory in use. ENERGY: 3771800 3985.0168 20645.5045 14426.9477 253.1946 -203258.4009 2578.8551 0.0000 0.0000 51953.0898 -109415.7924 298.5751 -161368.8822 -109045.0172 299.1272 -186.2072 -159.6865 762464.8893 14.5683 14.6564 PRESSURE: 3772000 -100.378 -139.562 -20.2328 -139.562 364.278 63.9793 -20.2322 63.9798 -12.6362 GPRESSURE: 3772000 55.5987 -63.623 -23.2463 -250.035 305.208 13.6342 -28.2767 119.917 -37.5588 PRESSAVG: 3772000 -66.5117 -33.9726 13.6123 -33.9727 59.32 -8.68495 13.6123 -8.68505 -3.42404 GPRESSAVG: 3772000 -66.1763 -34.8995 12.7689 -31.9695 59.2879 -10.9946 13.2388 -8.51441 -3.74896 TIMING: 3772000 CPU: 11784, 0.00314701/step Wall: 11784, 0.00314701/step, 1.07348 hours remaining, 235.402344 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: 3772000 4007.8409 20708.2116 14418.8332 250.6237 -203629.2164 2850.2497 0.0000 0.0000 52077.1890 -109316.2683 299.2883 -161393.4573 -108957.5989 299.3338 83.7547 107.7493 760957.4897 -3.5386 -3.5458 PRESSURE: 3772200 -311.387 -114.484 -286.28 -114.482 -246.4 61.055 -286.28 61.0533 -481.64 GPRESSURE: 3772200 -295.682 -170.497 -271.649 -58.9949 -321.57 62.8628 -173.824 64.6036 -339.622 PRESSAVG: 3772200 -40.7874 -63.6856 -0.141271 -63.6856 36.94 49.4714 -0.141311 49.4714 4.98398 GPRESSAVG: 3772200 -40.3061 -64.7843 1.2532 -64.0138 36.298 48.8888 -1.2423 51.4982 4.68242 TIMING: 3772200 CPU: 11784.7, 0.00314135/step Wall: 11784.7, 0.00314135/step, 1.07138 hours remaining, 235.402344 MB of memory in use. ENERGY: 3772200 4030.8343 20571.5195 14354.6352 267.3671 -202901.7302 2251.0003 0.0000 0.0000 51886.0134 -109540.3605 298.1896 -161426.3739 -109178.4098 298.9158 -346.4755 -318.9577 762651.3287 0.3789 0.2248 LDB: ============= START OF LOAD BALANCING ============== 11797.2 LDB: ============== END OF LOAD BALANCING =============== 11797.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11797.2 LDB: ============= START OF LOAD BALANCING ============== 11797.5 LDB: Largest compute 6998 load 0.029390 is 15.1% of average load 0.195212 LDB: Average compute 0.004385 is 2.2% of average load 0.195212 LDB: TIME 11797.5 LOAD: AVG 0.195212 MAX 0.213569 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.105 MB LDB: TIME 11797.5 LOAD: AVG 0.195212 MAX 0.213569 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.105 MB LDB: TIME 11797.5 LOAD: AVG 0.195212 MAX 0.213569 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.105 MB LDB: ============== END OF LOAD BALANCING =============== 11797.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11797.5 PRESSURE: 3772400 -93.3854 49.4695 47.9229 49.4693 324.87 -158.779 47.9232 -158.779 -266.167 GPRESSURE: 3772400 -85.0266 150.9 46.0882 51.6028 380.106 -142.706 10.9323 -133.807 -231.321 PRESSAVG: 3772400 -72.688 -18.2579 -31.8569 -18.2578 83.7989 18.3347 -31.8569 18.3346 -14.2547 GPRESSAVG: 3772400 -72.3846 -19.4126 -32.526 -18.7121 82.6109 19.17 -31.0021 17.7851 -13.2617 TIMING: 3772400 CPU: 11785.3, 0.00322181/step Wall: 11785.3, 0.00322181/step, 1.09864 hours remaining, 233.605469 MB of memory in use. ENERGY: 3772400 4083.4657 20384.3925 14327.9833 255.7876 -203218.4875 2597.1722 0.0000 0.0000 52133.9581 -109435.7282 299.6146 -161569.6863 -109072.3246 298.7003 -11.5606 21.2528 761354.9640 -1.0479 -1.0118 PRESSURE: 3772600 -67.913 -123.088 -30.0007 -123.088 -171.409 46.449 -29.9988 46.4496 -96.2266 GPRESSURE: 3772600 -56.6858 -109.931 -55.8616 -130.043 -139.794 149.475 -128.901 39.0732 -59.5051 PRESSAVG: 3772600 -15.3207 -15.9923 10.1577 -15.9923 -39.4062 24.5991 10.1577 24.5992 -10.013 GPRESSAVG: 3772600 -16.2114 -17.543 10.0412 -14.4289 -36.9766 25.9018 10.334 23.7849 -11.7664 TIMING: 3772600 CPU: 11785.9, 0.00312961/step Wall: 11785.9, 0.00312961/step, 1.06702 hours remaining, 233.605469 MB of memory in use. ENERGY: 3772600 4086.1455 20503.2502 14454.4864 244.2711 -203474.4502 2744.7043 0.0000 0.0000 51994.2069 -109447.3859 298.8114 -161441.5929 -109087.4612 298.8977 -111.8497 -85.3283 762951.7692 -21.5800 -21.6515 PRESSURE: 3772800 74.3165 19.1325 124.559 19.1321 180.552 -88.6832 124.559 -88.6834 151.191 GPRESSURE: 3772800 122.881 -4.64476 113.895 48.3587 222.027 -46.9348 134.55 -117.815 157.763 PRESSAVG: 3772800 17.1316 -39.2732 37.2145 -39.2731 19.3968 -17.5059 37.2146 -17.5059 -3.38521 GPRESSAVG: 3772800 17.7189 -38.2027 37.0278 -41.6753 17.9434 -17.7142 38.6242 -16.8118 -2.34729 TIMING: 3772800 CPU: 11786.6, 0.00313461/step Wall: 11786.6, 0.00313461/step, 1.06855 hours remaining, 233.605469 MB of memory in use. ENERGY: 3772800 4062.1862 20552.2091 14377.9076 237.8834 -203571.5699 3080.8634 0.0000 0.0000 51902.5096 -109358.0106 298.2844 -161260.5202 -108996.1552 299.2920 135.3531 167.5572 762087.6505 11.0477 11.1050 PRESSURE: 3773000 271.751 -43.0732 65.4751 -43.0725 124.502 -103.182 65.4755 -103.182 -23.8386 GPRESSURE: 3773000 294.145 -21.1515 16.398 10.4793 190.756 -130.205 62.0524 -53.1009 -13.6999 PRESSAVG: 3773000 -25.9869 33.2468 15.6144 33.2468 5.84259 33.3514 15.6144 33.3514 -3.97844 GPRESSAVG: 3773000 -26.7576 34.3915 15.126 35.7809 5.93407 32.5241 13.6865 32.5557 -3.84016 TIMING: 3773000 CPU: 11787.2, 0.00312977/step Wall: 11787.2, 0.00312977/step, 1.06673 hours remaining, 233.605469 MB of memory in use. ENERGY: 3773000 4064.2887 20383.5742 14461.3804 241.9405 -203490.8537 3053.8945 0.0000 0.0000 52044.4483 -109241.3272 299.1002 -161285.7754 -108874.2102 298.6291 124.1380 157.0669 762683.1772 -8.0409 -8.2212 PRESSURE: 3773200 -151.859 136.998 6.81815 136.998 -205.604 -85.8106 6.8191 -85.8104 -215.204 GPRESSURE: 3773200 -64.5486 30.2261 88.2518 202.009 -166.764 -83.2031 -122.566 -82.3077 -262.493 PRESSAVG: 3773200 -9.41681 44.0872 -26.03 44.0873 23.7619 2.56815 -26.03 2.56818 -6.98426 GPRESSAVG: 3773200 -9.76935 42.0341 -24.2325 44.038 24.2976 2.12678 -25.529 3.34058 -7.61888 TIMING: 3773200 CPU: 11787.8, 0.00314677/step Wall: 11787.8, 0.00314677/step, 1.07235 hours remaining, 233.605469 MB of memory in use. ENERGY: 3773200 4015.5447 20505.4927 14418.4480 247.9059 -202983.1423 2619.2296 0.0000 0.0000 52032.9517 -109143.5696 299.0341 -161176.5213 -108782.4933 299.2756 -190.8892 -164.6017 766017.6377 2.4536 2.3031 PRESSURE: 3773400 538.57 -45.7571 -224.472 -45.7571 293.505 -145.604 -224.471 -145.604 183.301 GPRESSURE: 3773400 542.02 -95.3699 -202.369 48.1148 383.073 -192.949 -296.106 -76.6066 173.598 PRESSAVG: 3773400 33.5072 8.44663 1.22119 8.44663 -3.30878 27.274 1.22123 27.274 -21.7452 GPRESSAVG: 3773400 34.3539 8.77104 -0.418268 6.20226 -6.721 26.62 -0.28673 28.3607 -19.3252 TIMING: 3773400 CPU: 11788.4, 0.00312575/step Wall: 11788.4, 0.00312575/step, 1.06501 hours remaining, 233.605469 MB of memory in use. ENERGY: 3773400 3975.6081 20428.7596 14414.2530 244.0485 -203434.8956 3070.8239 0.0000 0.0000 52199.1496 -109102.2529 299.9892 -161301.4024 -108733.9924 299.1516 338.4586 366.2301 762744.7424 2.8178 2.7692 PRESSURE: 3773600 -21.2449 66.0841 127.614 66.0847 -160.095 44.9463 127.615 44.9465 -75.5121 GPRESSURE: 3773600 38.1692 108.163 92.06 28.7485 -134.072 136.344 253.224 45.4066 -77.3915 PRESSAVG: 3773600 4.9823 0.734348 -14.1446 0.734307 20.0883 55.7488 -14.1446 55.7488 27.8371 GPRESSAVG: 3773600 5.35406 0.790588 -15.1466 1.7977 22.3641 56.4823 -11.9751 54.3835 25.2513 TIMING: 3773600 CPU: 11789.1, 0.00312564/step Wall: 11789.1, 0.00312564/step, 1.0648 hours remaining, 233.605469 MB of memory in use. ENERGY: 3773600 4067.9590 20429.4170 14426.8631 255.1712 -203272.7013 2756.1483 0.0000 0.0000 52072.5790 -109264.5636 299.2618 -161337.1427 -108895.1701 299.2259 -85.6174 -57.7647 763211.5566 17.6359 17.6565 PRESSURE: 3773800 -10.1662 -104.995 -37.9861 -104.995 24.9402 -28.4137 -37.9863 -28.415 -146.79 GPRESSURE: 3773800 -37.3752 -49.0132 5.66699 -37.6917 69.3993 -27.1323 -110.456 -27.4287 -103.333 PRESSAVG: 3773800 -0.114702 -18.8974 -50.3886 -18.8974 -3.1837 4.64531 -50.3887 4.64526 8.28647 GPRESSAVG: 3773800 -0.985988 -18.3832 -48.8994 -19.1777 -2.71991 5.79349 -51.7934 4.7734 8.8179 TIMING: 3773800 CPU: 11789.7, 0.00311496/step Wall: 11789.7, 0.00311496/step, 1.06099 hours remaining, 233.605469 MB of memory in use. ENERGY: 3773800 4022.3712 20610.3573 14385.4970 231.5889 -203280.6402 2629.9824 0.0000 0.0000 51940.9689 -109459.8746 298.5055 -161400.8435 -109091.0049 298.7885 -44.0052 -23.7696 762150.1302 1.6627 1.7040 PRESSURE: 3774000 -436.144 -32.4781 -0.155439 -32.4785 -13.0143 -124.882 -0.156365 -124.882 424.902 GPRESSURE: 3774000 -375.828 -16.393 -15.9751 60.8177 23.0325 -116.845 -67.6345 -114.128 407.429 PRESSAVG: 3774000 -14.0839 5.19438 -14.211 5.19436 18.7599 1.72031 -14.2111 1.72034 -18.046 GPRESSAVG: 3774000 -13.9216 7.36987 -12.4821 5.13916 17.3569 1.30566 -15.8997 0.821197 -16.8656 TIMING: 3774000 CPU: 11790.3, 0.00311258/step Wall: 11790.3, 0.00311258/step, 1.06001 hours remaining, 233.605469 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: 3774000 4053.8929 20525.1011 14392.9803 245.9348 -203668.7074 2691.7182 0.0000 0.0000 52170.0099 -109589.0702 299.8218 -161759.0802 -109222.9159 299.1183 -8.0854 18.2111 760757.4545 -4.4567 -4.4768 PRESSURE: 3774200 -362.537 60.8598 210.235 60.8602 273.105 137.11 210.235 137.11 -38.312 GPRESSURE: 3774200 -248.821 40.673 229.626 -104.294 203.751 82.0571 274.399 185.447 -8.65394 PRESSAVG: 3774200 -15.0604 25.1742 5.75507 25.1742 2.19757 1.12594 5.75505 1.12588 -1.52681 GPRESSAVG: 3774200 -14.7113 23.8431 3.84529 24.4848 1.8869 0.515989 7.23958 0.336129 -1.34715 TIMING: 3774200 CPU: 11790.9, 0.00313502/step Wall: 11790.9, 0.00313502/step, 1.06748 hours remaining, 233.605469 MB of memory in use. ENERGY: 3774200 3997.5590 20443.2315 14439.8053 246.6637 -203401.4857 2751.7770 0.0000 0.0000 51915.0062 -109607.4429 298.3563 -161522.4491 -109244.7624 298.3285 -42.5814 -17.9079 763240.2377 -4.7965 -4.7239 PRESSURE: 3774400 -175.877 12.1123 -29.3964 12.112 -409.456 -29.748 -29.3965 -29.748 -155.882 GPRESSURE: 3774400 -172.922 83.9297 -140.863 34.2611 -333.789 -40.3941 -147.359 -42.6384 -167.302 PRESSAVG: 3774400 -27.5071 13.7599 23.1822 13.7599 7.75833 -8.55497 23.1821 -8.55494 25.4402 GPRESSAVG: 3774400 -27.0701 11.7349 23.2169 13.3319 8.68253 -5.97775 23.1192 -8.48381 24.0927 TIMING: 3774400 CPU: 11791.6, 0.00313798/step Wall: 11791.6, 0.00313798/step, 1.06831 hours remaining, 233.605469 MB of memory in use. ENERGY: 3774400 3976.8981 20524.9599 14357.0840 255.6473 -203224.6675 2655.4622 0.0000 0.0000 51941.0977 -109513.5182 298.5062 -161454.6159 -109151.3011 299.0125 -247.0717 -224.6709 764091.1636 1.8971 1.9017 PRESSURE: 3774600 -364.819 -90.0087 -28.4088 -90.0082 10.4783 92.5684 -28.4088 92.5679 252.315 GPRESSURE: 3774600 -266.786 -187.412 -29.6284 -97.7278 62.6121 179.663 38.5988 116.997 195.316 PRESSAVG: 3774600 -37.1229 6.54435 -0.177291 6.54436 17.2357 1.71046 -0.177302 1.71051 8.80833 GPRESSAVG: 3774600 -38.0673 7.11721 -0.113271 8.11851 17.8531 0.226138 0.0518822 3.11074 9.14736 TIMING: 3774600 CPU: 11792.2, 0.00315325/step Wall: 11792.2, 0.00315325/step, 1.07333 hours remaining, 233.605469 MB of memory in use. ENERGY: 3774600 4050.6791 20466.5689 14401.1795 242.3721 -202977.2862 2557.9973 0.0000 0.0000 51863.6728 -109394.8165 298.0612 -161258.4893 -109046.7245 298.3407 -34.0086 -2.9527 763302.3310 -3.6930 -3.6890 PRESSURE: 3774800 -7.2894 -25.2995 104.025 -25.2989 271.802 40.9508 104.025 40.951 -100.204 GPRESSURE: 3774800 110.419 -49.1138 114.92 -101.556 157.126 104.323 170.536 249.154 -10.1961 PRESSAVG: 3774800 5.55408 -23.3553 55.8305 -23.3553 -7.00251 30.7064 55.8304 30.7064 7.50334 GPRESSAVG: 3774800 6.84644 -22.2874 55.8034 -24.5694 -9.31802 32.5331 58.1009 30.1233 8.41116 TIMING: 3774800 CPU: 11792.8, 0.00313415/step Wall: 11792.8, 0.00313416/step, 1.06666 hours remaining, 233.605469 MB of memory in use. ENERGY: 3774800 3927.5531 20456.5110 14485.4230 245.7912 -203636.3992 2900.7227 0.0000 0.0000 52055.0285 -109565.3697 299.1610 -161620.3982 -109218.2562 298.4589 54.7698 85.7829 762145.1016 2.0183 1.9799 PRESSURE: 3775000 -239.331 -265.962 -70.8375 -265.961 -359.931 -90.3086 -70.8367 -90.3088 -23.9856 GPRESSURE: 3775000 -196.506 -282.192 19.4576 -135.52 -367.094 -46.1597 -136.996 -71.9068 12.1047 PRESSAVG: 3775000 -38.8315 -32.0538 69.4914 -32.0539 -9.91242 6.53039 69.4913 6.53039 6.53379 GPRESSAVG: 3775000 -40.5146 -32.8502 70.0685 -32.0473 -8.85757 4.42685 68.9293 7.26602 6.96459 TIMING: 3775000 CPU: 11793.5, 0.0031419/step Wall: 11793.5, 0.0031419/step, 1.06912 hours remaining, 233.605469 MB of memory in use. ENERGY: 3775000 3995.0420 20432.5323 14428.2701 237.3877 -202948.4639 2514.5263 0.0000 0.0000 52156.9456 -109183.7599 299.7467 -161340.7055 -108831.6671 298.8988 -207.7491 -183.8317 765283.7570 -14.0700 -14.1359 PRESSURE: 3775200 258.84 -38.2983 -9.7192 -38.2989 28.7837 -80.188 -9.71874 -80.1888 -197.533 GPRESSURE: 3775200 263.969 -27.3947 -2.29474 -111.281 -7.29651 -31.4158 4.95265 117.039 -78.5524 PRESSAVG: 3775200 26.0738 -9.51203 -9.22126 -9.512 -18.0479 19.0431 -9.22123 19.0432 -2.03374 GPRESSAVG: 3775200 27.1038 -8.97856 -9.5552 -9.09069 -16.9781 18.0584 -9.57307 17.547 -4.13832 TIMING: 3775200 CPU: 11794.1, 0.00313365/step Wall: 11794.1, 0.00313365/step, 1.06614 hours remaining, 233.605469 MB of memory in use. ENERGY: 3775200 3980.1614 20508.2663 14357.3215 254.8397 -203321.1493 2781.4135 0.0000 0.0000 52237.1547 -109201.9922 300.2076 -161439.1469 -108835.5456 299.5722 30.0303 59.3734 764358.4968 1.9974 1.9958 PRESSURE: 3775400 -3.21807 -18.463 54.1877 -18.4621 277.345 -29.709 54.1877 -29.708 365.988 GPRESSURE: 3775400 126.534 -28.5538 55.1524 -13.7607 190.284 -40.5554 -29.88 71.5205 408.752 PRESSAVG: 3775400 -63.249 -25.0071 42.5002 -25.007 71.2772 28.2401 42.5002 28.24 30.1716 GPRESSAVG: 3775400 -62.7413 -24.7339 41.5039 -25.5048 69.2662 29.098 42.1648 29.9939 30.9559 TIMING: 3775400 CPU: 11794.7, 0.00313833/step Wall: 11794.7, 0.00313833/step, 1.06756 hours remaining, 233.605469 MB of memory in use. ENERGY: 3775400 4047.0886 20537.1667 14411.3545 245.9585 -203695.4414 2939.2288 0.0000 0.0000 52252.0545 -109262.5899 300.2933 -161514.6444 -108889.5506 299.0558 213.3716 241.8565 762394.1219 12.7333 12.4936 PRESSURE: 3775600 -447.674 -64.0197 -75.2387 -64.0194 -166.718 119.442 -75.2392 119.442 -99.0955 GPRESSURE: 3775600 -431.677 -30.4881 35.203 32.2553 -61.8195 55.0801 -157.843 28.9058 -154.99 PRESSAVG: 3775600 -21.8089 -14.8989 21.4423 -14.8989 26.8659 46.9132 21.4423 46.9132 -11.9514 GPRESSAVG: 3775600 -22.6348 -14.7181 22.3737 -13.4449 27.3823 45.3081 21.2489 45.8208 -11.5332 TIMING: 3775600 CPU: 11795.3, 0.00312571/step Wall: 11795.3, 0.00312571/step, 1.06309 hours remaining, 233.605469 MB of memory in use. ENERGY: 3775600 3970.2845 20544.9272 14360.6642 280.2229 -203042.9874 2394.9132 0.0000 0.0000 52041.9122 -109450.0631 299.0856 -161491.9753 -109075.1130 299.2650 -237.8292 -216.1624 763306.1240 -2.2981 -2.2619 PRESSURE: 3775800 -234.913 -43.3391 195.89 -43.3392 -338.588 -53.4072 195.89 -53.4067 -41.3057 GPRESSURE: 3775800 -197.579 -84.628 141.46 -99.7543 -287.605 -75.6233 240.327 -68.8978 -45.7331 PRESSAVG: 3775800 -17.9631 19.0794 2.09735 19.0794 -43.8401 50.2672 2.09738 50.2672 -0.753973 GPRESSAVG: 3775800 -19.2891 16.7318 2.38592 19.1811 -43.1619 51.1583 2.37814 51.111 -0.684994 TIMING: 3775800 CPU: 11796, 0.00313854/step Wall: 11796, 0.00313854/step, 1.06728 hours remaining, 233.605469 MB of memory in use. ENERGY: 3775800 3934.4651 20444.6036 14387.2994 248.5918 -203313.1946 2648.0936 0.0000 0.0000 51972.1992 -109677.9419 298.6849 -161650.1411 -109319.9918 298.5355 -204.9355 -176.9723 764731.9307 -20.8524 -21.0453 PRESSURE: 3776000 -227.159 180.358 135.324 180.357 38.5797 -108.07 135.325 -108.07 -89.9353 GPRESSURE: 3776000 -53.1531 174.647 85.0132 228.375 -29.0845 -192.94 185.052 -82.6555 -107.792 PRESSAVG: 3776000 39.8429 -18.3824 7.89763 -18.3824 -42.2418 83.115 7.89761 83.1151 -6.53396 GPRESSAVG: 3776000 40.5059 -14.4318 8.45467 -19.5308 -42.5863 82.5236 7.66313 84.1335 -7.53383 TIMING: 3776000 CPU: 11796.6, 0.00312727/step Wall: 11796.6, 0.00312727/step, 1.06327 hours remaining, 233.605469 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: 3776000 3969.9516 20408.3028 14439.8965 252.3885 -203152.3017 2560.7274 0.0000 0.0000 52158.5471 -109362.4877 299.7559 -161521.0348 -108987.0247 299.0323 -92.8381 -63.3433 762663.8718 -2.9776 -3.2048 PRESSURE: 3776200 116.437 -12.9998 247.337 -12.9997 106.836 192.305 247.337 192.305 259.92 GPRESSURE: 3776200 134.413 -23.9052 233.987 27.1594 140.814 233.76 248.57 44.5836 296.045 PRESSAVG: 3776200 -31.9911 -15.2735 46.6231 -15.2735 13.2703 34.4903 46.6231 34.4902 -26.2533 GPRESSAVG: 3776200 -31.7818 -16.398 45.2399 -15.2518 13.3265 35.7856 46.6313 31.2563 -26.9275 TIMING: 3776200 CPU: 11797.2, 0.00310722/step Wall: 11797.2, 0.00310722/step, 1.05628 hours remaining, 233.605469 MB of memory in use. ENERGY: 3776200 3886.0928 20619.4422 14356.9476 223.4072 -203313.9060 2737.7451 0.0000 0.0000 52068.6012 -109421.6699 299.2390 -161490.2712 -109064.0659 298.2395 161.0642 190.4239 762189.1719 -14.9914 -15.1276 LDB: ============= START OF LOAD BALANCING ============== 11809.7 LDB: ============== END OF LOAD BALANCING =============== 11809.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11809.7 LDB: ============= START OF LOAD BALANCING ============== 11810 LDB: Largest compute 7029 load 0.028036 is 14.4% of average load 0.195304 LDB: Average compute 0.004368 is 2.2% of average load 0.195304 LDB: TIME 11810 LOAD: AVG 0.195304 MAX 0.213501 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.605 MB LDB: TIME 11810 LOAD: AVG 0.195304 MAX 0.213501 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.605 MB LDB: TIME 11810 LOAD: AVG 0.195304 MAX 0.213501 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.605 MB LDB: ============== END OF LOAD BALANCING =============== 11810 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11810 PRESSURE: 3776400 56.1615 -81.0792 -13.1216 -81.0779 385.859 -146.84 -13.1217 -146.84 230.763 GPRESSURE: 3776400 184.161 -76.8064 -66.8847 -105.189 401.935 -180.951 -75.5961 -185.321 180.327 PRESSAVG: 3776400 -9.05025 23.6431 18.6793 23.6431 6.14687 15.8868 18.6794 15.8867 -21.4835 GPRESSAVG: 3776400 -9.64543 21.1271 20.3113 23.2474 5.70845 15.1644 17.9354 16.9181 -20.6121 TIMING: 3776400 CPU: 11797.8, 0.0031817/step Wall: 11797.8, 0.0031817/step, 1.08143 hours remaining, 234.890625 MB of memory in use. ENERGY: 3776400 4001.0945 20484.9636 14349.8033 246.6798 -203414.5684 2882.1525 0.0000 0.0000 52039.9038 -109409.9709 299.0740 -161449.8747 -109039.9794 298.8928 224.2609 255.4743 761089.1667 -8.1290 -8.1830 PRESSURE: 3776600 157.344 192.107 91.189 192.107 161.423 0.364201 91.189 0.364897 -210.945 GPRESSURE: 3776600 84.9835 127.012 106.284 231.868 232.532 -156.902 119.982 -38.0033 -114.446 PRESSAVG: 3776600 24.9775 16.3862 28.8489 16.3862 -10.1056 -7.26711 28.8489 -7.26709 4.88616 GPRESSAVG: 3776600 25.2021 17.3093 27.4598 20.3152 -9.16611 -7.66876 31.2356 -8.35456 3.60938 TIMING: 3776600 CPU: 11798.5, 0.00311779/step Wall: 11798.5, 0.00311779/step, 1.05953 hours remaining, 235.089844 MB of memory in use. ENERGY: 3776600 3972.0894 20591.5538 14419.4478 254.9563 -202963.5789 2651.9668 0.0000 0.0000 51833.4119 -109240.1528 297.8873 -161073.5647 -108873.5164 298.8869 35.9406 67.6896 762956.5897 6.5860 6.5485 PRESSURE: 3776800 -71.1798 87.256 81.7133 87.2568 -40.6044 212.96 81.7128 212.961 -138.596 GPRESSURE: 3776800 44.1746 53.5273 123.245 85.7304 -102.22 239.415 27.7357 176.512 -84.4084 PRESSAVG: 3776800 -42.6858 4.43023 25.6651 4.43023 41.3896 -12.2071 25.6651 -12.2071 19.422 GPRESSAVG: 3776800 -43.1332 6.14839 26.9187 3.27168 40.5759 -12.9776 25.3174 -10.7381 20.472 TIMING: 3776800 CPU: 11799.1, 0.00314155/step Wall: 11799.1, 0.00314155/step, 1.06743 hours remaining, 235.089844 MB of memory in use. ENERGY: 3776800 3973.6702 20332.2190 14391.8873 249.5910 -203263.4631 2899.2746 0.0000 0.0000 52036.3990 -109380.4220 299.0539 -161416.8210 -109014.1305 298.7376 -83.4599 -47.4845 762749.6133 6.0419 5.9716 PRESSURE: 3777000 -641.618 -25.4145 21.3191 -25.4146 168.101 -335.896 21.3189 -335.897 -137.965 GPRESSURE: 3777000 -509.733 31.1421 95.2968 -51.3858 138.563 -374.984 -44.0638 -135.83 -149.381 PRESSAVG: 3777000 34.8126 30.1224 24.1142 30.1223 -6.5 -29.6322 24.1141 -29.6322 -25.9983 GPRESSAVG: 3777000 34.3441 29.7387 24.4564 30.2522 -5.20507 -28.7271 23.4155 -28.8164 -27.0298 TIMING: 3777000 CPU: 11799.7, 0.00311432/step Wall: 11799.7, 0.00311432/step, 1.058 hours remaining, 235.089844 MB of memory in use. ENERGY: 3777000 3952.2142 20481.8394 14386.8174 254.5668 -202875.2269 2417.0831 0.0000 0.0000 51938.2432 -109444.4628 298.4898 -161382.7061 -109095.1209 298.5166 -203.8273 -173.5171 761642.4848 0.7714 0.7031 PRESSURE: 3777200 243.813 35.1096 120.837 35.1096 -4.07292 -258.951 120.836 -258.95 283.914 GPRESSURE: 3777200 291.754 -1.68821 203.517 107.576 21.3168 -309.579 10.0641 -292.378 288.746 PRESSAVG: 3777200 13.8846 12.5886 17.1672 12.5885 -57.1873 -23.9935 17.1672 -23.9935 35.0723 GPRESSAVG: 3777200 15.448 11.6313 16.3207 10.6514 -58.5049 -25.6994 15.5765 -22.648 35.4947 TIMING: 3777200 CPU: 11800.3, 0.00311327/step Wall: 11800.3, 0.00311327/step, 1.05747 hours remaining, 235.089844 MB of memory in use. ENERGY: 3777200 3881.4413 20523.3946 14397.6098 259.6898 -202994.5789 2673.5641 0.0000 0.0000 52001.4130 -109257.4664 298.8528 -161258.8794 -108885.9540 299.3547 174.5514 200.6054 762637.6617 -2.7435 -2.5207 PRESSURE: 3777400 304.063 69.7 98.4488 69.699 109.056 139.593 98.449 139.592 129.249 GPRESSURE: 3777400 223.996 90.655 187.786 42.6815 259.157 104.006 11.3932 258.836 155.656 PRESSAVG: 3777400 15.7455 16.8311 56.3592 16.831 19.2177 19.1138 56.3592 19.1139 -14.5897 GPRESSAVG: 3777400 15.0311 15.7554 57.3317 18.42 19.9643 20.7852 58.1158 15.5023 -14.2874 TIMING: 3777400 CPU: 11801, 0.00312063/step Wall: 11801, 0.00312063/step, 1.0598 hours remaining, 235.089844 MB of memory in use. ENERGY: 3777400 3956.1460 20594.8349 14453.8004 255.2168 -203389.4032 2899.0816 0.0000 0.0000 52056.0359 -109174.2875 299.1668 -161230.3235 -108814.1228 299.1840 180.7894 212.9363 761783.1240 6.7912 6.9027 PRESSURE: 3777600 -118.492 100.166 27.0758 100.166 116.372 -45.4288 27.0761 -45.429 38.7183 GPRESSURE: 3777600 -25.0409 -5.12632 35.2083 150.936 137.856 -4.03204 45.1443 -47.5564 7.72 PRESSAVG: 3777600 -3.4716 44.7528 29.0511 44.7528 26.2318 -64.439 29.0511 -64.4389 10.0347 GPRESSAVG: 3777600 -3.65178 44.7252 28.3198 45.143 25.9658 -64.6529 29.0353 -63.5969 10.137 TIMING: 3777600 CPU: 11801.6, 0.0031025/step Wall: 11801.6, 0.0031025/step, 1.05347 hours remaining, 235.089844 MB of memory in use. ENERGY: 3777600 4027.7980 20512.6975 14337.7478 244.1123 -203421.8719 2861.1081 0.0000 0.0000 52036.9493 -109401.4588 299.0571 -161438.4081 -109039.3918 299.2294 12.1996 40.1784 761584.6717 10.9316 10.8170 PRESSURE: 3777800 55.0591 1.51204 95.0096 1.51226 266.93 -94.2978 95.0094 -94.2982 468.165 GPRESSURE: 3777800 137.911 4.10591 94.5595 -35.9526 338.147 -82.5534 19.6938 -73.1885 394.232 PRESSAVG: 3777800 12.8616 4.86239 44.5571 4.86238 13.4201 7.65846 44.5571 7.65851 4.29933 GPRESSAVG: 3777800 13.8551 6.75692 44.6093 2.82461 14.7354 6.82288 42.4889 7.58658 2.87633 TIMING: 3777800 CPU: 11802.2, 0.0031351/step Wall: 11802.2, 0.0031351/step, 1.06437 hours remaining, 235.089844 MB of memory in use. ENERGY: 3777800 3947.2752 20623.4022 14355.1615 254.2277 -203120.9464 2705.7985 0.0000 0.0000 51747.2321 -109487.8491 297.3921 -161235.0813 -109127.0850 298.5165 263.3845 290.0968 762073.4704 10.1937 10.4889 PRESSURE: 3778000 -27.7572 202.18 -189.254 202.181 78.3809 48.1036 -189.254 48.1041 -75.3762 GPRESSURE: 3778000 -40.4829 217.312 -163.924 142.181 135.653 40.7417 -280.01 66.953 -46.4456 PRESSAVG: 3778000 51.1055 21.4626 -12.7435 21.4626 -47.5379 2.86154 -12.7435 2.86159 11.3819 GPRESSAVG: 3778000 50.5069 20.5052 -11.1507 21.7657 -47.0415 4.1432 -11.6538 1.80711 11.5319 TIMING: 3778000 CPU: 11802.8, 0.00313374/step Wall: 11802.8, 0.00313374/step, 1.06373 hours remaining, 235.089844 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: 3778000 4020.4623 20458.8529 14444.1229 247.0019 -203296.4805 2732.3396 0.0000 0.0000 51894.1953 -109499.5055 298.2367 -161393.7009 -109137.6400 298.7669 -8.2508 16.2416 762423.6230 4.9832 4.9991 PRESSURE: 3778200 -8.09153 49.0024 -62.2074 49.0024 -19.6645 -66.0069 -62.2076 -66.0072 -230.722 GPRESSURE: 3778200 74.9275 43.0336 -127.695 -36.7308 41.5463 -68.8711 -118.897 -43.4786 -269.103 PRESSAVG: 3778200 32.5167 4.65593 -29.3806 4.65588 -90.6878 -22.33 -29.3805 -22.3299 -11.3651 GPRESSAVG: 3778200 33.8442 3.35285 -32.6505 5.32677 -92.043 -23.1429 -28.8894 -18.8167 -10.3871 TIMING: 3778200 CPU: 11803.5, 0.00311218/step Wall: 11803.5, 0.00311218/step, 1.05624 hours remaining, 235.089844 MB of memory in use. ENERGY: 3778200 3994.9791 20521.4675 14415.7153 245.9969 -203209.1649 2507.4466 0.0000 0.0000 52280.5947 -109242.9647 300.4573 -161523.5595 -108876.0105 298.7601 -86.1593 -50.8765 762210.9788 -23.1787 -22.8620 PRESSURE: 3778400 -334.919 -297.751 -54.7129 -297.75 -53.0226 -362.221 -54.713 -362.22 -517.168 GPRESSURE: 3778400 -321.176 -228.241 -57.3524 -203.558 -78.095 -408.827 36.5699 -346.705 -437.261 PRESSAVG: 3778400 -42.7143 17.7417 12.8193 17.7418 17.8215 15.5061 12.8193 15.5061 0.717248 GPRESSAVG: 3778400 -44.4561 20.3751 13.2668 16.9933 18.7924 15.9352 14.9025 13.7066 0.552898 TIMING: 3778400 CPU: 11804.1, 0.00311258/step Wall: 11804.1, 0.00311258/step, 1.0562 hours remaining, 235.089844 MB of memory in use. ENERGY: 3778400 3938.6858 20598.3924 14419.4842 242.2817 -203168.4224 2465.1624 0.0000 0.0000 52241.2139 -109263.2021 300.2310 -161504.4159 -108894.0821 299.2040 -301.7032 -278.8438 762120.2778 -8.0585 -8.3703 PRESSURE: 3778600 154.97 -79.9611 287.941 -79.9609 -79.2521 -213.696 287.941 -213.696 134.181 GPRESSURE: 3778600 207.246 -25.3941 293.498 -5.2925 -46.5904 -220.821 96.7026 -33.2037 123.006 PRESSAVG: 3778600 25.4935 -20.7427 -38.5013 -20.7427 -27.7993 -10.9434 -38.5014 -10.9434 28.3772 GPRESSAVG: 3778600 26.5888 -20.5705 -38.3818 -20.1129 -29.8849 -10.1702 -41.8659 -9.36913 29.1348 TIMING: 3778600 CPU: 11804.7, 0.00312321/step Wall: 11804.7, 0.00312321/step, 1.05963 hours remaining, 235.089844 MB of memory in use. ENERGY: 3778600 4036.3723 20591.2661 14457.7159 267.9550 -203473.4544 2915.8865 0.0000 0.0000 51816.7495 -109387.5091 297.7916 -161204.2586 -109031.9185 298.9352 69.9662 94.5539 763732.0441 8.6905 8.6129 PRESSURE: 3778800 -93.9607 -183.813 147.856 -183.813 -164.259 172.248 147.856 172.249 -77.5431 GPRESSURE: 3778800 -37.8722 -157.277 -35.2807 -215.221 -67.9631 146.191 46.7777 138.838 -127.951 PRESSAVG: 3778800 8.87189 -25.7106 21.968 -25.7105 57.4625 52.8288 21.968 52.8287 6.49326 GPRESSAVG: 3778800 7.59537 -27.3557 22.5831 -25.776 60.0809 53.1879 22.6729 50.0038 5.17925 TIMING: 3778800 CPU: 11805.3, 0.0031419/step Wall: 11805.3, 0.0031419/step, 1.0658 hours remaining, 235.089844 MB of memory in use. ENERGY: 3778800 3944.3389 20487.3506 14402.9596 227.8089 -203171.9085 2728.9393 0.0000 0.0000 51840.1317 -109540.3794 297.9259 -161380.5111 -109180.0998 298.6677 -111.9209 -77.9289 763764.2959 24.2759 24.2852 PRESSURE: 3779000 -129.764 -172.213 61.8649 -172.214 74.5121 -99.9116 61.8653 -99.9114 275.3 GPRESSURE: 3779000 -164.173 -132.896 50.4923 -181.871 173.539 -144.492 148.423 -108.272 313.923 PRESSAVG: 3779000 -60.6199 -3.07383 3.76906 -3.07386 84.0201 -24.1135 3.76909 -24.1134 17.9172 GPRESSAVG: 3779000 -59.611 -2.54235 4.8271 -1.77284 82.9828 -24.2769 3.29542 -21.3665 17.7422 TIMING: 3779000 CPU: 11806, 0.003114/step Wall: 11806, 0.003114/step, 1.05617 hours remaining, 235.089844 MB of memory in use. ENERGY: 3779000 3876.2867 20624.3882 14458.2823 253.0401 -203430.6646 2791.4929 0.0000 0.0000 51797.5655 -109629.6088 297.6813 -161427.1743 -109259.9002 298.6085 73.3494 107.7630 762916.9881 13.7725 13.7047 PRESSURE: 3779200 -157.196 87.0019 -42.8133 87.0018 -100.864 107.131 -42.8133 107.131 276.022 GPRESSURE: 3779200 -186.989 -7.41095 -42.5607 150.816 -24.3862 143.078 76.3067 133.833 335.102 PRESSAVG: 3779200 -10.7111 -25.497 22.1069 -25.497 11.3744 -5.05276 22.1069 -5.05278 -1.88396 GPRESSAVG: 3779200 -10.4726 -27.3414 21.4667 -28.0454 11.2506 -5.59681 22.2735 -4.85793 -1.34183 TIMING: 3779200 CPU: 11806.6, 0.00312157/step Wall: 11806.6, 0.00312157/step, 1.05856 hours remaining, 235.089844 MB of memory in use. ENERGY: 3779200 3914.1491 20528.0269 14398.8608 248.3635 -203400.4104 2681.2686 0.0000 0.0000 51877.2010 -109752.5405 298.1390 -161629.7414 -109391.2756 298.2949 5.9871 41.2424 763992.3994 -0.4069 -0.1880 PRESSURE: 3779400 276.629 -26.2476 -107.694 -26.247 -272.211 -20.1506 -107.694 -20.1505 -89.8788 GPRESSURE: 3779400 342.233 -57.0869 -109.386 -41.7711 -187.596 -92.5275 -121.064 -51.099 -157.01 PRESSAVG: 3779400 27.1116 23.5903 5.19815 23.5902 13.2394 -0.84056 5.19816 -0.8406 -19.3688 GPRESSAVG: 3779400 26.764 26.8211 5.73386 24.044 13.8596 -0.587717 6.02726 -2.35005 -19.2664 TIMING: 3779400 CPU: 11807.2, 0.00312034/step Wall: 11807.2, 0.00312034/step, 1.05797 hours remaining, 235.089844 MB of memory in use. ENERGY: 3779400 3999.8664 20396.8320 14365.4931 247.0042 -203431.8086 2759.8509 0.0000 0.0000 52110.9574 -109551.8046 299.4824 -161662.7620 -109182.0836 298.3575 -28.4866 -0.7908 761918.0442 6.9941 7.1191 PRESSURE: 3779600 -45.8958 29.5317 13.8235 29.5318 -140.223 132.567 13.8241 132.567 -266.357 GPRESSURE: 3779600 -7.8165 -45.7874 15.3164 -18.7236 -160.663 172.125 161.569 98.4065 -187.916 PRESSAVG: 3779600 -31.2448 -25.5878 -28.7658 -25.5879 -0.119646 -35.0097 -28.7658 -35.0098 -8.43236 GPRESSAVG: 3779600 -31.5874 -26.7913 -29.6218 -25.1765 0.825606 -37.5212 -28.3336 -35.3184 -8.54345 TIMING: 3779600 CPU: 11807.8, 0.00310317/step Wall: 11807.8, 0.00310317/step, 1.05198 hours remaining, 235.089844 MB of memory in use. ENERGY: 3779600 3947.3862 20522.5691 14312.1528 233.5457 -203379.0344 2539.8263 0.0000 0.0000 52187.5965 -109635.9578 299.9228 -161823.5543 -109263.6009 298.3702 -150.8254 -118.7984 761871.6832 -13.2656 -13.1017 PRESSURE: 3779800 796.757 -17.6891 37.2453 -17.6886 172.329 86.7208 37.2448 86.7205 260.216 GPRESSURE: 3779800 764.286 -69.7032 103.275 -71.3073 310.862 70.8949 -146.284 85.9208 214.332 PRESSAVG: 3779800 2.2274 3.22715 35.2327 3.22717 -25.1059 -75.9434 35.2327 -75.9433 -28.0271 GPRESSAVG: 3779800 3.42944 1.91391 37.1157 2.68418 -26.329 -73.149 33.3649 -75.5873 -28.1974 TIMING: 3779800 CPU: 11808.5, 0.00310113/step Wall: 11808.5, 0.00310113/step, 1.05111 hours remaining, 235.089844 MB of memory in use. ENERGY: 3779800 3905.6063 20432.4461 14420.9083 210.4910 -203761.2797 3040.1643 0.0000 0.0000 52023.6725 -109727.9910 298.9808 -161751.6636 -109374.7489 298.5620 409.7675 429.8266 761220.1209 -16.9686 -17.0323 PRESSURE: 3780000 112.495 -265.392 54.1093 -265.391 -155.97 -16.1936 54.1084 -16.1948 175.504 GPRESSURE: 3780000 81.1972 -302.057 -72.4228 -306.088 2.79474 -66.5251 -43.5972 -50.008 144.014 PRESSAVG: 3780000 42.6867 1.47685 3.60726 1.47687 0.502401 -50.1735 3.60723 -50.1736 -15.7757 GPRESSAVG: 3780000 41.772 2.43394 3.00709 0.829494 2.06712 -51.6301 3.86742 -50.6772 -15.9461 TIMING: 3780000 CPU: 11809.1, 0.00311268/step Wall: 11809.1, 0.00311268/step, 1.05485 hours remaining, 235.089844 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: 3780000 4034.7737 20351.7131 14398.1494 243.7411 -203314.7490 2655.6270 0.0000 0.0000 51918.4943 -109712.2505 298.3763 -161630.7448 -109353.0127 298.7581 44.0096 76.0019 763750.9989 9.1378 9.2977 PRESSURE: 3780200 -271.785 -1.68969 153.856 -1.68985 -14.3261 -21.8468 153.856 -21.8457 -383.557 GPRESSURE: 3780200 -253.123 -11.3183 47.4434 25.2429 -110.961 -39.8937 202.929 -39.1431 -203.488 PRESSAVG: 3780200 26.4841 -4.27812 14.5782 -4.27819 -26.0187 -2.30146 14.5782 -2.30135 19.2977 GPRESSAVG: 3780200 26.116 -1.93201 13.0275 -3.75481 -28.5344 -1.96896 16.0152 -1.46302 22.4804 TIMING: 3780200 CPU: 11809.7, 0.00311247/step Wall: 11809.7, 0.00311247/step, 1.05461 hours remaining, 235.089844 MB of memory in use. ENERGY: 3780200 4068.4897 20307.7897 14443.9243 252.2793 -203605.6700 2801.9298 0.0000 0.0000 51977.8254 -109753.4318 298.7173 -161731.2571 -109390.6044 298.3847 -223.2225 -189.1906 762034.7768 6.5877 6.6873 LDB: ============= START OF LOAD BALANCING ============== 11822.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11822.2 LDB: =============== DONE WITH MIGRATION ================ 11822.2 LDB: ============= START OF LOAD BALANCING ============== 11822.5 LDB: Largest compute 6981 load 0.028495 is 14.6% of average load 0.195144 LDB: Average compute 0.004355 is 2.2% of average load 0.195144 LDB: TIME 11822.5 LOAD: AVG 0.195144 MAX 0.212677 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.688 MB LDB: TIME 11822.5 LOAD: AVG 0.195144 MAX 0.212677 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.852 MB LDB: TIME 11822.5 LOAD: AVG 0.195144 MAX 0.212677 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.852 MB LDB: ============== END OF LOAD BALANCING =============== 11822.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11822.5 PRESSURE: 3780400 -257.249 -160.161 -23.8869 -160.161 113.708 -129.366 -23.8871 -129.365 -316.195 GPRESSURE: 3780400 -237.656 -155.391 -37.3327 -48.5147 66.5597 -113.664 -17.7521 -117.944 -219.124 PRESSAVG: 3780400 -67.1668 62.8222 51.0797 62.8222 7.72447 -31.0316 51.0796 -31.0315 -4.50686 GPRESSAVG: 3780400 -66.8196 60.8909 51.8808 63.5363 8.7026 -31.8962 49.3327 -30.3185 -6.03579 TIMING: 3780400 CPU: 11810.3, 0.00316405/step Wall: 11810.3, 0.00316405/step, 1.07191 hours remaining, 234.421875 MB of memory in use. ENERGY: 3780400 3983.0105 20518.9355 14374.9234 246.8621 -203634.0432 2748.8256 0.0000 0.0000 52050.3070 -109711.1790 299.1338 -161761.4860 -109353.9724 298.6749 -153.2453 -130.0735 764569.1999 -21.3164 -21.3843 PRESSURE: 3780600 -55.1476 -159.394 -108.488 -159.395 15.1593 -28.8256 -108.489 -28.8263 -233.245 GPRESSURE: 3780600 -79.9936 21.1808 -61.1593 -134.792 103.032 -94.8899 -101.411 96.624 -210.997 PRESSAVG: 3780600 -8.91079 -17.4694 45.8234 -17.4693 26.9744 18.8978 45.8235 18.8978 14.6061 GPRESSAVG: 3780600 -8.22929 -16.8088 46.0951 -17.5499 26.4332 19.615 48.8474 17.411 14.4644 TIMING: 3780600 CPU: 11811, 0.00311326/step Wall: 11811, 0.00311326/step, 1.05453 hours remaining, 234.421875 MB of memory in use. ENERGY: 3780600 4055.7470 20446.4324 14370.8089 230.6276 -203383.7657 2680.8626 0.0000 0.0000 51876.8103 -109722.4768 298.1367 -161599.2871 -109359.3346 298.1901 -91.0779 -62.6529 760239.2151 10.8899 10.8894 PRESSURE: 3780800 389.284 216.245 65.4123 216.245 65.2108 -59.681 65.4122 -59.6819 186.442 GPRESSURE: 3780800 362.61 117.023 146.652 207.522 163.89 48.5704 -111.917 121.722 205.67 PRESSAVG: 3780800 9.38047 -14.4799 36.574 -14.4799 10.3562 -17.3744 36.574 -17.3743 -1.3928 GPRESSAVG: 3780800 7.72585 -15.3235 36.2763 -13.5825 11.9922 -15.5002 32.3853 -16.7645 -1.38687 TIMING: 3780800 CPU: 11811.6, 0.00312934/step Wall: 11811.6, 0.00312934/step, 1.0598 hours remaining, 234.421875 MB of memory in use. ENERGY: 3780800 3961.4639 20414.5046 14391.2377 260.0660 -203589.1226 2942.6699 0.0000 0.0000 52030.3171 -109588.8634 299.0189 -161619.1806 -109220.9554 298.7156 213.6455 244.0565 763593.2805 6.1146 6.1104 PRESSURE: 3781000 -15.5815 115.417 146.624 115.417 -100.654 -122.717 146.624 -122.716 40.5527 GPRESSURE: 3781000 63.5608 119.881 173.265 99.9431 -80.2625 -7.04856 110.905 -22.0318 49.5133 PRESSAVG: 3781000 11.79 58.1374 14.8838 58.1375 0.932942 -18.9843 14.8838 -18.9843 -10.9882 GPRESSAVG: 3781000 11.9462 58.5596 16.6235 55.1033 2.00031 -20.6147 17.0042 -16.4087 -11.5402 TIMING: 3781000 CPU: 11812.2, 0.00314276/step Wall: 11812.2, 0.00314276/step, 1.06417 hours remaining, 234.421875 MB of memory in use. ENERGY: 3781000 4029.9611 20410.5960 14405.3073 250.9541 -203427.2919 2811.6547 0.0000 0.0000 51986.8421 -109531.9765 298.7691 -161518.8186 -109162.3623 298.5398 -25.2275 10.9372 762505.5266 0.5783 0.8021 PRESSURE: 3781200 132.332 49.4156 53.3208 49.4154 17.2007 -113.784 53.3206 -113.783 -230.394 GPRESSURE: 3781200 183.667 117.528 -16.0592 92.0257 28.4291 -293.931 103.004 -97.2016 -222.389 PRESSAVG: 3781200 -19.3789 33.4429 27.9808 33.4429 -9.77909 -9.85344 27.9807 -9.85342 -5.46713 GPRESSAVG: 3781200 -17.8658 34.1109 25.3022 35.368 -11.7815 -10.3166 27.5683 -12.7157 -5.41888 TIMING: 3781200 CPU: 11812.8, 0.00312463/step Wall: 11812.8, 0.00312463/step, 1.05786 hours remaining, 234.421875 MB of memory in use. ENERGY: 3781200 3982.7581 20603.5097 14362.8763 243.2388 -203559.9442 2667.6639 0.0000 0.0000 51978.4049 -109721.4924 298.7206 -161699.8974 -109358.2480 298.6363 -26.9538 -3.4310 763103.3410 -11.5417 -11.6887 PRESSURE: 3781400 -155.591 68.7271 232.801 68.7267 -132.469 121.142 232.801 121.143 -137.491 GPRESSURE: 3781400 -93.6826 -15.1743 263.074 21.7656 -162.573 129.679 380.5 133.144 -78.5326 PRESSAVG: 3781400 17.7641 -20.7472 37.1925 -20.7472 -0.540337 -17.1889 37.1925 -17.189 -27.793 GPRESSAVG: 3781400 16.11 -20.3345 37.9377 -24.3237 0.0952742 -16.7434 38.2599 -18.8361 -27.2715 TIMING: 3781400 CPU: 11813.5, 0.00311345/step Wall: 11813.5, 0.00311345/step, 1.0539 hours remaining, 234.421875 MB of memory in use. ENERGY: 3781400 4145.0757 20313.5019 14327.5951 250.7686 -203256.8959 2724.8495 0.0000 0.0000 51900.4804 -109594.6247 298.2728 -161495.1050 -109242.5817 298.6894 -141.8501 -111.5961 764439.1175 -3.5231 -3.6888 PRESSURE: 3781600 46.9994 -100.001 -102.6 -100 -201.079 144.692 -102.6 144.693 143.666 GPRESSURE: 3781600 122.153 -130.535 -209.658 15.0247 -217.454 189.655 -91.2207 -78.8787 154.526 PRESSAVG: 3781600 -11.8483 33.471 39.044 33.471 -20.5828 -19.7512 39.0439 -19.7512 6.79503 GPRESSAVG: 3781600 -11.0538 33.1339 39.5751 34.8112 -20.6575 -18.1332 39.4111 -17.8727 6.27615 TIMING: 3781600 CPU: 11814.1, 0.00311714/step Wall: 11814.1, 0.00311714/step, 1.05498 hours remaining, 234.421875 MB of memory in use. ENERGY: 3781600 3884.5883 20409.6092 14459.5355 240.7403 -203148.9189 2638.3615 0.0000 0.0000 51750.2926 -109765.7914 297.4096 -161516.0840 -109401.9231 298.3685 -3.4712 19.7416 764862.3633 -8.5454 -8.4784 PRESSURE: 3781800 -63.5174 198.081 35.9772 198.08 186.779 -190.912 35.9762 -190.912 -134.707 GPRESSURE: 3781800 -64.2294 204.053 61.053 101.703 232.36 -156.936 6.12143 -18.9407 -88.8569 PRESSAVG: 3781800 12.2545 1.10783 18.1681 1.10777 40.8264 -3.69982 18.1681 -3.69981 -0.749496 GPRESSAVG: 3781800 12.289 -0.869231 18.4936 0.475131 39.5538 -3.64057 15.2346 -3.64702 0.216506 TIMING: 3781800 CPU: 11814.7, 0.00311044/step Wall: 11814.7, 0.00311044/step, 1.05254 hours remaining, 234.421875 MB of memory in use. ENERGY: 3781800 3983.4869 20453.6456 14363.1789 259.1480 -203552.7277 2590.6716 0.0000 0.0000 52020.1133 -109882.4834 298.9603 -161902.5967 -109524.8149 298.0537 -3.8150 26.4246 761886.1127 17.4438 17.3531 PRESSURE: 3782000 -100.453 -260.39 -177.361 -260.39 -24.5328 -80.8123 -177.36 -80.8127 50.0179 GPRESSURE: 3782000 -81.4826 -249.061 -128.815 -172.921 6.06537 -92.6092 -69.6923 -17.1478 73.5947 PRESSAVG: 3782000 -50.9906 -27.8059 18.1328 -27.8059 23.7178 0.255863 18.1327 0.255875 -13.7496 GPRESSAVG: 3782000 -51.1434 -28.1064 16.648 -25.8197 23.163 -0.39021 21.6291 1.85344 -12.4165 TIMING: 3782000 CPU: 11815.3, 0.003101/step Wall: 11815.3, 0.003101/step, 1.04917 hours remaining, 234.421875 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: 3782000 3959.9836 20511.1320 14341.4808 256.8391 -203394.9059 2537.4815 0.0000 0.0000 52085.9148 -109702.0741 299.3385 -161787.9889 -109351.0008 298.6908 -24.9893 -0.6075 763085.2374 -13.6741 -13.4656 PRESSURE: 3782200 80.3798 -172.129 55.3896 -172.129 -7.23436 -137.766 55.3889 -137.765 7.03336 GPRESSURE: 3782200 92.3238 -25.7635 16.7098 -112.53 113.345 -15.4662 51.5478 -135.301 -32.2189 PRESSAVG: 3782200 59.0867 12.8063 60.7583 12.8063 -15.0768 61.0376 60.7583 61.0376 -19.1671 GPRESSAVG: 3782200 58.5732 16.9186 61.5111 11.6832 -14.8615 62.478 59.4562 58.3661 -18.513 TIMING: 3782200 CPU: 11815.9, 0.00311691/step Wall: 11815.9, 0.00311691/step, 1.05438 hours remaining, 234.421875 MB of memory in use. ENERGY: 3782200 4073.7105 20438.7466 14372.5762 239.6119 -203348.5391 2761.0042 0.0000 0.0000 51935.4991 -109527.3906 298.4740 -161462.8897 -109161.7540 298.8107 26.7263 57.8165 762579.2507 8.2809 8.3996 PRESSURE: 3782400 -227.471 -28.7971 233.709 -28.7978 69.8552 -56.3702 233.709 -56.3706 55.3489 GPRESSURE: 3782400 -164.978 -51.1949 295.084 -41.2452 149.416 -81.8211 225.782 -68.517 -12.9149 PRESSAVG: 3782400 -5.34794 3.48304 18.681 3.48301 36.1203 13.2063 18.681 13.2064 2.11733 GPRESSAVG: 3782400 -4.79294 2.17545 16.8723 3.56573 38.0552 12.2756 20.1948 14.5212 0.0617672 TIMING: 3782400 CPU: 11816.6, 0.00311826/step Wall: 11816.6, 0.00311826/step, 1.05466 hours remaining, 234.421875 MB of memory in use. ENERGY: 3782400 4007.3290 20444.8498 14452.1124 237.2376 -203261.5351 2449.6158 0.0000 0.0000 51852.5512 -109817.8393 297.9973 -161670.3905 -109459.9398 298.4712 -34.0888 -9.4923 763398.3283 10.9632 11.1080 PRESSURE: 3782600 -257.827 42.5277 101.748 42.5275 -180.216 137.086 101.748 137.084 -350.226 GPRESSURE: 3782600 -183.698 -1.91767 -38.2233 65.641 -127.644 76.8095 -0.192817 259.058 -390.206 PRESSAVG: 3782600 -20.6572 28.0699 43.8976 28.0699 -13.1447 53.422 43.8976 53.422 -8.14811 GPRESSAVG: 3782600 -19.8604 26.5322 44.2233 29.2807 -14.0224 52.5963 41.2596 54.8384 -8.09049 TIMING: 3782600 CPU: 11817.2, 0.00313255/step Wall: 11817.2, 0.00313255/step, 1.05933 hours remaining, 234.421875 MB of memory in use. ENERGY: 3782600 3955.2828 20730.8163 14392.2543 241.3023 -202987.4942 2265.2416 0.0000 0.0000 51734.8179 -109667.7790 297.3207 -161402.5969 -109308.1113 298.0934 -262.7568 -233.8495 763686.5512 -13.9834 -13.9911 PRESSURE: 3782800 -33.401 208.721 -45.0343 208.721 -262.807 164.867 -45.034 164.867 -279.308 GPRESSURE: 3782800 -52.864 163.811 -76.2137 184.455 -184.499 177.62 -93.8796 108.831 -265.47 PRESSAVG: 3782800 30.3444 -54.9972 13.2292 -54.9972 -62.3079 45.4974 13.2292 45.4974 1.30211 GPRESSAVG: 3782800 30.2185 -54.6677 14.4644 -54.6432 -62.089 46.5644 14.3904 43.2504 1.74082 TIMING: 3782800 CPU: 11817.8, 0.00312088/step Wall: 11817.8, 0.00312088/step, 1.0552 hours remaining, 234.421875 MB of memory in use. ENERGY: 3782800 3916.2028 20573.6675 14331.5169 237.7607 -203011.0843 2194.4223 0.0000 0.0000 51992.2975 -109765.2166 298.8004 -161757.5140 -109399.4838 297.8726 -191.8386 -167.6108 763406.0005 -10.2205 -10.0432 PRESSURE: 3783000 -70.3839 -308.384 -398.526 -308.384 -27.8922 -26.4616 -398.526 -26.4614 138.069 GPRESSURE: 3783000 -78.8179 -213.882 -293.433 -194.459 47.3972 20.9983 -395.628 33.6109 155.191 PRESSAVG: 3783000 -94.1928 20.4095 -6.63635 20.4095 114.044 -48.9557 -6.63632 -48.9556 -10.7341 GPRESSAVG: 3783000 -94.6672 19.7008 -6.68957 18.1315 113.768 -48.9546 -7.11469 -47.1173 -9.59941 TIMING: 3783000 CPU: 11818.4, 0.00310645/step Wall: 11818.4, 0.00310644/step, 1.05015 hours remaining, 234.421875 MB of memory in use. ENERGY: 3783000 3956.1653 20446.0172 14458.9602 253.9899 -203734.9051 3019.4983 0.0000 0.0000 51888.4243 -109711.8499 298.2035 -161600.2742 -109351.6063 298.1387 13.2645 41.2569 762379.5240 3.0391 3.1670 PRESSURE: 3783200 88.5948 219.55 -77.0823 219.55 116.56 -8.3003 -77.0829 -8.30115 67.2702 GPRESSURE: 3783200 169.844 321.134 -12.9089 217.945 135.781 -133.395 -143.475 42.1295 39.8971 PRESSAVG: 3783200 16.7521 68.6202 11.6532 68.6201 -10.3802 20.3618 11.6532 20.3619 -2.76079 GPRESSAVG: 3783200 17.4059 67.6567 10.8778 69.2611 -10.1554 18.1397 10.8843 22.0944 -3.88238 TIMING: 3783200 CPU: 11819.1, 0.00310794/step Wall: 11819.1, 0.00310794/step, 1.05048 hours remaining, 234.421875 MB of memory in use. ENERGY: 3783200 3939.7613 20469.8643 14468.3498 236.9603 -203520.0322 2744.2990 0.0000 0.0000 52026.0002 -109634.7972 298.9941 -161660.7975 -109270.3146 298.7070 90.8083 115.1742 762985.2920 1.2037 1.1227 PRESSURE: 3783400 10.2423 -35.2526 8.64967 -35.2525 54.2276 78.0005 8.6497 78.0005 335.353 GPRESSURE: 3783400 -66.9316 -119.966 45.5427 -107.932 187.476 75.1089 48.5163 91.6645 374.858 PRESSAVG: 3783400 -4.81335 2.15974 -10.4572 2.15968 13.4665 25.3526 -10.4573 25.3526 7.22585 GPRESSAVG: 3783400 -5.43978 1.56581 -9.20051 3.6405 13.0932 25.4771 -10.6749 24.095 7.83261 TIMING: 3783400 CPU: 11819.7, 0.00310977/step Wall: 11819.7, 0.00310977/step, 1.05093 hours remaining, 234.421875 MB of memory in use. ENERGY: 3783400 3933.5905 20490.1483 14444.1336 239.3279 -203763.9064 3002.0342 0.0000 0.0000 51971.2310 -109683.4409 298.6794 -161654.6719 -109338.5242 298.4553 133.2744 165.1341 764074.7252 5.2930 5.1620 PRESSURE: 3783600 55.5474 -141.441 -74.9844 -141.441 -189.848 -329.646 -74.9842 -329.648 -244.556 GPRESSURE: 3783600 32.4331 -38.2827 -8.10863 -150.695 -204.762 -306.598 -201.346 -389.673 -134.788 PRESSAVG: 3783600 -31.7292 24.9385 -36.9923 24.9385 54.8983 23.2137 -36.9923 23.2137 -2.42519 GPRESSAVG: 3783600 -31.1561 27.9717 -36.9821 24.1921 55.0782 25.3106 -37.8232 21.4009 -2.63647 TIMING: 3783600 CPU: 11820.3, 0.00313111/step Wall: 11820.3, 0.00313111/step, 1.05797 hours remaining, 234.421875 MB of memory in use. ENERGY: 3783600 3983.9487 20513.2484 14446.1521 271.0899 -203399.6986 2586.0347 0.0000 0.0000 51803.4891 -109795.7356 297.7154 -161599.2247 -109446.1694 297.9124 -126.2857 -102.3724 763586.6491 6.9146 7.0952 PRESSURE: 3783800 -63.2463 192.517 -22.022 192.517 77.8371 -144.359 -22.0213 -144.358 298.33 GPRESSURE: 3783800 23.9846 204.96 18.2955 116.165 54.1115 -204.133 -18.6619 -127.375 315.473 PRESSAVG: 3783800 -42.2402 34.6457 -3.35366 34.6456 21.2396 68.6636 -3.35361 68.6637 -17.9911 GPRESSAVG: 3783800 -42.6938 35.3668 -4.48728 31.426 22.0617 66.7506 -3.11136 70.3101 -18.6371 TIMING: 3783800 CPU: 11820.9, 0.00312148/step Wall: 11820.9, 0.00312148/step, 1.05454 hours remaining, 234.421875 MB of memory in use. ENERGY: 3783800 3967.5516 20320.3332 14405.6011 262.9404 -203618.6752 2866.8109 0.0000 0.0000 52057.4374 -109738.0006 299.1748 -161795.4380 -109366.7656 298.1368 104.3071 131.1895 763632.8152 -12.9972 -13.0898 PRESSURE: 3784000 -117.967 -123.593 6.80968 -123.593 253.742 -36.5464 6.81049 -36.5476 390.049 GPRESSURE: 3784000 -59.5227 -124.692 -78.726 -109.096 228.627 -46.6132 -26.1846 72.324 458.079 PRESSAVG: 3784000 -27.3134 13.4562 79.2862 13.4563 -5.30074 27.338 79.2861 27.3379 7.43044 GPRESSAVG: 3784000 -27.869 11.8896 80.0431 16.0705 -6.46869 28.5637 78.1969 26.416 8.9297 TIMING: 3784000 CPU: 11821.6, 0.00311182/step Wall: 11821.6, 0.00311182/step, 1.0511 hours remaining, 234.421875 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: 3784000 3893.8410 20497.6683 14366.9183 237.2052 -203520.5572 2870.5577 0.0000 0.0000 51991.2277 -109663.1390 298.7943 -161654.3667 -109301.4551 298.3410 175.2746 209.0611 763046.8181 -8.3946 -8.4693 PRESSURE: 3784200 186.661 8.66577 86.2466 8.66558 -92.2371 -83.4949 86.2478 -83.4941 354.861 GPRESSURE: 3784200 210.344 6.92077 52.8552 23.0326 7.17085 -41.708 32.5886 48.582 321.303 PRESSAVG: 3784200 2.36996 -36.9494 -23.4824 -36.9493 -23.9855 -0.219411 -23.4825 -0.219488 -3.07886 GPRESSAVG: 3784200 2.49021 -34.9921 -24.722 -38.8482 -24.0921 -1.26693 -22.595 0.234429 -3.00028 TIMING: 3784200 CPU: 11822.2, 0.00311609/step Wall: 11822.2, 0.00311609/step, 1.05237 hours remaining, 234.421875 MB of memory in use. ENERGY: 3784200 3940.1409 20422.0805 14388.9271 235.3167 -203206.5202 2706.3987 0.0000 0.0000 51937.1333 -109576.5230 298.4834 -161513.6563 -109212.0234 298.5263 149.7616 179.6058 762835.1668 -8.2315 -8.2007 LDB: ============= START OF LOAD BALANCING ============== 11834.7 LDB: ============== END OF LOAD BALANCING =============== 11834.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11834.7 LDB: ============= START OF LOAD BALANCING ============== 11835 LDB: Largest compute 6998 load 0.030140 is 15.4% of average load 0.195233 LDB: Average compute 0.004355 is 2.2% of average load 0.195233 LDB: TIME 11835 LOAD: AVG 0.195233 MAX 0.213464 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.191 MB LDB: TIME 11835 LOAD: AVG 0.195233 MAX 0.213464 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.395 MB LDB: TIME 11835 LOAD: AVG 0.195233 MAX 0.213464 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.395 MB LDB: ============== END OF LOAD BALANCING =============== 11835 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11835 PRESSURE: 3784400 -17.7479 111.289 -304.974 111.288 -89.0691 14.7521 -304.975 14.7499 -105.717 GPRESSURE: 3784400 -97.1164 125.79 -211.239 -14.1781 -41.4947 23.2912 -300.755 -53.5134 -5.62727 PRESSAVG: 3784400 -6.90089 10.897 -29.6354 10.8971 -15.8555 0.0385305 -29.6353 0.0385597 32.9737 GPRESSAVG: 3784400 -6.02796 9.11404 -29.1244 13.0046 -14.8145 1.53773 -28.4422 0.299315 31.5409 TIMING: 3784400 CPU: 11822.8, 0.00317671/step Wall: 11822.8, 0.00317671/step, 1.07267 hours remaining, 234.238281 MB of memory in use. ENERGY: 3784400 3958.0250 20497.1172 14371.2283 230.9703 -202809.3909 2377.0377 0.0000 0.0000 51745.4636 -109629.5488 297.3819 -161375.0124 -109267.9418 298.1933 -70.8447 -48.0795 761476.8593 3.4058 3.5662 PRESSURE: 3784600 -43.9652 12.8828 170.04 12.8835 82.416 152.886 170.04 152.886 0.920389 GPRESSURE: 3784600 20.9463 29.3244 47.4249 51.8771 45.4599 122.719 142.455 174.332 60.2606 PRESSAVG: 3784600 23.9374 3.37962 65.6688 3.37964 -16.1871 10.0267 65.6687 10.0267 -8.11449 GPRESSAVG: 3784600 23.7859 2.17066 66.2118 3.35704 -16.1533 10.5097 64.6961 8.73499 -7.58488 TIMING: 3784600 CPU: 11823.4, 0.00310768/step Wall: 11823.4, 0.00310768/step, 1.04919 hours remaining, 234.238281 MB of memory in use. ENERGY: 3784600 4014.1869 20356.8114 14421.5207 228.6793 -203652.9861 3143.4543 0.0000 0.0000 51736.4375 -109751.8960 297.3300 -161488.3336 -109396.5037 297.7156 13.1237 42.2223 762912.8670 -0.1214 0.0159 PRESSURE: 3784800 96.5258 -67.8596 -136.69 -67.8592 219.629 66.5298 -136.689 66.5307 181.423 GPRESSURE: 3784800 193.601 -72.1837 -109.456 50.2604 202.256 80.8987 -46.971 58.5166 183.346 PRESSAVG: 3784800 -7.02452 -14.1839 14.9049 -14.184 -3.60288 -3.9946 14.9048 -3.99467 20.0552 GPRESSAVG: 3784800 -7.44498 -12.5391 15.1429 -14.8193 -3.14364 -5.99435 16.5122 -2.00111 20.0382 TIMING: 3784800 CPU: 11824.1, 0.00312722/step Wall: 11824.1, 0.00312722/step, 1.05561 hours remaining, 234.238281 MB of memory in use. ENERGY: 3784800 3934.9963 20399.6618 14418.2640 223.6633 -203717.7660 2962.9794 0.0000 0.0000 52003.2193 -109774.9818 298.8632 -161778.2011 -109408.3790 297.9298 165.8594 193.0673 762746.3941 3.1426 3.1499 PRESSURE: 3785000 -311.255 -64.8259 -52.4513 -64.8271 -228.073 104.719 -52.4508 104.721 123.543 GPRESSURE: 3785000 -231.186 -104.493 17.6889 -0.421818 -223.614 113.429 -85.8457 29.4836 114.114 PRESSAVG: 3785000 3.11456 -20.7727 -19.3814 -20.7727 -20.9404 -0.390406 -19.3814 -0.390425 7.85211 GPRESSAVG: 3785000 3.44833 -20.3719 -19.5931 -21.4895 -21.0332 -0.0826306 -19.1022 -0.00826817 7.89581 TIMING: 3785000 CPU: 11824.7, 0.00312053/step Wall: 11824.7, 0.00312053/step, 1.05318 hours remaining, 234.238281 MB of memory in use. ENERGY: 3785000 3974.3488 20265.0974 14486.2553 245.2688 -203365.2699 2878.2845 0.0000 0.0000 51986.5743 -109529.4407 298.7676 -161516.0150 -109164.4809 297.9963 -138.5948 -113.5621 764277.8577 -3.3246 -3.2297 PRESSURE: 3785200 -280.425 -2.65557 138.966 -2.65712 214.717 -78.7009 138.965 -78.7003 -209.389 GPRESSURE: 3785200 -131.205 81.5394 170.526 19.5339 194.333 -194.348 109.122 -176.13 -255.588 PRESSAVG: 3785200 40.5523 -16.6019 -48.1157 -16.6019 7.83227 -15.5069 -48.1157 -15.5068 7.53934 GPRESSAVG: 3785200 41.1681 -17.0731 -48.0854 -13.6366 7.61654 -16.1486 -49.7826 -14.7413 7.66018 TIMING: 3785200 CPU: 11825.3, 0.00312906/step Wall: 11825.3, 0.00312906/step, 1.05588 hours remaining, 234.238281 MB of memory in use. ENERGY: 3785200 3967.7710 20618.0562 14469.0245 261.6043 -203187.9372 2606.8681 0.0000 0.0000 51935.8047 -109328.8084 298.4758 -161264.6131 -108975.5507 298.8523 -91.6988 -64.1534 763284.1186 18.6413 18.8149 PRESSURE: 3785400 -124.782 -211.297 -44.4354 -211.297 237.156 -119.466 -44.4361 -119.465 -41.7262 GPRESSURE: 3785400 -14.7251 -268.405 -94.6395 -212.455 194.068 -87.2592 -79.3924 -69.5417 -19.4407 PRESSAVG: 3785400 -10.2065 13.1613 0.392408 13.1614 42.5925 -25.8204 0.392316 -25.8204 -11.8769 GPRESSAVG: 3785400 -10.5664 13.4058 3.042 13.0858 42.2548 -25.2183 -2.43367 -26.6161 -11.3129 TIMING: 3785400 CPU: 11825.9, 0.00312177/step Wall: 11825.9, 0.00312177/step, 1.05325 hours remaining, 234.238281 MB of memory in use. ENERGY: 3785400 3970.0455 20592.8628 14420.5433 252.8155 -203297.1819 2573.8470 0.0000 0.0000 52029.7174 -109457.3503 299.0155 -161487.0678 -109095.5502 299.1192 23.5490 53.3007 761089.3771 6.8364 6.7919 PRESSURE: 3785600 -248.013 27.8373 -54.7149 27.8371 231.601 -10.5704 -54.7149 -10.5709 -48.1778 GPRESSURE: 3785600 -255.01 119.416 -16.1266 -7.46843 242.976 -95.2695 -89.8144 20.3876 23.7432 PRESSAVG: 3785600 -14.6327 11.0931 -33.7736 11.0931 3.78283 11.7451 -33.7736 11.7451 9.3728 GPRESSAVG: 3785600 -13.807 11.1889 -35.2843 9.22065 2.89655 12.1601 -31.7282 11.4595 9.58421 TIMING: 3785600 CPU: 11826.6, 0.0031207/step Wall: 11826.6, 0.0031207/step, 1.05272 hours remaining, 234.238281 MB of memory in use. ENERGY: 3785600 3998.5376 20372.1666 14420.0196 249.8376 -203483.0183 2810.4538 0.0000 0.0000 52062.8082 -109569.1949 299.2057 -161632.0030 -109210.0094 298.7063 -21.5298 3.9029 761715.5228 -0.4924 -0.4421 PRESSURE: 3785800 123.023 118.576 141.222 118.577 160.473 -66.9512 141.222 -66.9518 247.389 GPRESSURE: 3785800 229.039 115.206 166.64 121.773 188.751 -134.589 79.8314 -59.1572 178.758 PRESSAVG: 3785800 -12.095 8.80628 -3.77015 8.80632 -0.943187 9.61105 -3.77014 9.61098 15.0078 GPRESSAVG: 3785800 -12.2857 7.08195 -4.23457 9.27415 -1.05474 8.28791 -2.07668 9.62173 15.0183 TIMING: 3785800 CPU: 11827.2, 0.00311201/step Wall: 11827.2, 0.00311201/step, 1.04961 hours remaining, 234.238281 MB of memory in use. ENERGY: 3785800 3965.7500 20490.0561 14406.8986 259.9649 -203401.3901 2767.6200 0.0000 0.0000 52195.1551 -109315.9454 299.9663 -161511.1005 -108960.4775 298.7563 176.9616 198.8494 762500.6029 0.6565 0.5593 PRESSURE: 3786000 -164.044 -158.304 -184.101 -158.304 -173.634 -179.646 -184.101 -179.646 -128.309 GPRESSURE: 3786000 -105.688 -111.753 -197.023 -121.108 -149.894 -131.443 -45.8747 -164.286 -129.891 PRESSAVG: 3786000 60.806 -47.3116 25.4401 -47.3116 -36.4026 26.725 25.4401 26.7251 -5.83655 GPRESSAVG: 3786000 59.4699 -47.1098 25.831 -48.3847 -35.2924 28.8209 23.6639 25.9545 -5.85918 TIMING: 3786000 CPU: 11827.8, 0.00310955/step Wall: 11827.8, 0.00310955/step, 1.04861 hours remaining, 234.238281 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: 3786000 3990.1548 20457.1317 14394.5284 250.6268 -203059.4857 2659.7401 0.0000 0.0000 51939.3839 -109367.9200 298.4964 -161307.3039 -108998.1254 299.1006 -155.3291 -128.4911 764044.1950 6.1889 6.1061 PRESSURE: 3786200 -467.636 112.844 -39.3608 112.845 -344.656 192.14 -39.3598 192.14 -92.2881 GPRESSURE: 3786200 -364.914 186.868 -18.177 183.109 -330.419 189.816 -92.6793 141.099 -121.982 PRESSAVG: 3786200 57.6176 -42.9613 -41.9888 -42.9613 -55.3537 -2.84432 -41.9889 -2.84431 -1.6639 GPRESSAVG: 3786200 58.4456 -42.6208 -40.4837 -44.9117 -54.8384 -2.99626 -41.2037 -1.44722 -3.33378 TIMING: 3786200 CPU: 11828.4, 0.00312013/step Wall: 11828.4, 0.00312013/step, 1.052 hours remaining, 234.238281 MB of memory in use. ENERGY: 3786200 4022.0726 20498.8344 14438.1025 279.9101 -202938.4651 2437.0318 0.0000 0.0000 51893.1291 -109369.3846 298.2305 -161262.5137 -109013.7508 299.2021 -301.5267 -272.4383 763374.7488 0.2000 0.0911 PRESSURE: 3786400 -0.336901 304.414 119.393 304.414 405.099 -229.93 119.394 -229.929 62.2843 GPRESSURE: 3786400 35.7773 274.351 82.9188 180.973 383.761 -251.412 73.7669 -183.756 129.476 PRESSAVG: 3786400 80.288 -28.7396 44.1859 -28.7397 -53.2315 11.55 44.1859 11.5499 -6.72418 GPRESSAVG: 3786400 80.2021 -29.7578 44.1524 -26.6149 -53.2682 10.8194 43.9038 12.4181 -5.89347 TIMING: 3786400 CPU: 11829.1, 0.00311716/step Wall: 11829.1, 0.00311716/step, 1.05083 hours remaining, 234.238281 MB of memory in use. ENERGY: 3786400 4003.3379 20503.9674 14368.9972 261.6336 -203585.2574 2970.6988 0.0000 0.0000 51993.6094 -109483.0131 298.8080 -161476.6225 -109127.0321 298.6982 155.6823 183.0047 763540.4923 6.7774 7.0135 PRESSURE: 3786600 524.596 50.5823 -244.702 50.5815 -2.60481 82.0538 -244.702 82.0533 -110.616 GPRESSURE: 3786600 528.944 83.8405 -187.034 23.603 23.766 -27.7675 -258.113 -11.0951 -55.1739 PRESSAVG: 3786600 10.3437 2.77824 -43.1716 2.77824 21.2057 23.2118 -43.1716 23.2118 -20.7514 GPRESSAVG: 3786600 11.6884 4.49598 -43.5782 3.79514 19.7869 22.3608 -42.406 22.8989 -20.8836 TIMING: 3786600 CPU: 11829.7, 0.00310531/step Wall: 11829.7, 0.00310531/step, 1.04666 hours remaining, 234.238281 MB of memory in use. ENERGY: 3786600 3952.9904 20496.2279 14474.1794 245.7034 -203724.2081 3198.4022 0.0000 0.0000 51962.4966 -109394.2082 298.6292 -161356.7048 -109029.2004 298.8493 137.1251 165.8455 764294.3418 3.5993 3.5305 PRESSURE: 3786800 215.394 -290.759 184.838 -290.76 -173.421 -60.9315 184.839 -60.932 258.922 GPRESSURE: 3786800 185.472 -316.784 179.643 -193.026 -64.0157 39.8556 181.073 -48.6454 269.693 PRESSAVG: 3786800 -66.4399 -8.32202 -4.23327 -8.32203 -2.57432 -35.8456 -4.23329 -35.8456 3.11271 GPRESSAVG: 3786800 -69.6499 -8.53075 -5.68374 -9.17307 -1.38172 -32.806 -3.49003 -35.7579 4.17429 TIMING: 3786800 CPU: 11830.3, 0.00311152/step Wall: 11830.3, 0.00311152/step, 1.04858 hours remaining, 234.238281 MB of memory in use. ENERGY: 3786800 3948.0318 20518.0890 14434.7888 244.6605 -203513.7255 3022.8199 0.0000 0.0000 51863.6281 -109481.7074 298.0610 -161345.3355 -109127.9127 298.6528 100.2985 130.3832 763084.4184 -21.9672 -22.2858 PRESSURE: 3787000 173.518 199.989 38.6977 199.989 196.796 -84.054 38.6977 -84.0545 420.148 GPRESSURE: 3787000 184.407 270.943 -15.9404 132.87 285.616 -136.636 -42.0303 -225.966 407.235 PRESSAVG: 3787000 -6.81807 -14.0401 64.4505 -14.0402 -25.5991 -14.276 64.4505 -14.2759 -5.26666 GPRESSAVG: 3787000 -5.71422 -14.0835 66.0284 -14.2906 -25.7406 -17.109 62.2648 -14.0396 -5.53983 TIMING: 3787000 CPU: 11830.9, 0.0031366/step Wall: 11830.9, 0.0031366/step, 1.05686 hours remaining, 234.238281 MB of memory in use. ENERGY: 3787000 3928.5830 20504.1202 14484.2161 265.4690 -203326.4390 2687.8633 0.0000 0.0000 52038.6163 -109417.5712 299.0666 -161456.1875 -109049.3966 298.6692 263.4876 292.4196 760998.0680 -12.5613 -12.3315 PRESSURE: 3787200 130.037 18.4473 36.942 18.447 125.683 -103.413 36.9417 -103.414 136.955 GPRESSURE: 3787200 148.914 -26.3222 -29.6423 -11.4252 190.096 -44.822 46.036 -121.246 143.358 PRESSAVG: 3787200 -20.0618 44.9438 70.2774 44.9438 65.4668 41.5884 70.2774 41.5884 15.2149 GPRESSAVG: 3787200 -18.9471 44.7496 71.1906 44.4736 65.2349 42.538 71.3705 39.8902 14.1218 TIMING: 3787200 CPU: 11831.5, 0.00309822/step Wall: 11831.5, 0.00309822/step, 1.04376 hours remaining, 234.238281 MB of memory in use. ENERGY: 3787200 4003.7224 20353.0573 14413.2868 225.2090 -203092.1728 2644.0856 0.0000 0.0000 52204.3773 -109248.4345 300.0193 -161452.8118 -108882.1152 298.8553 130.8913 160.7891 762536.3892 20.2066 20.1365 PRESSURE: 3787400 -190.027 118.265 103.962 118.265 135.481 361.365 103.962 361.365 -74.6193 GPRESSURE: 3787400 -128.599 93.2491 206.96 134.351 131.926 371.403 25.4829 311.986 -50.6064 PRESSAVG: 3787400 17.1456 -35.5552 -8.36166 -35.5552 -24.6925 22.6899 -8.36163 22.6899 12.5838 GPRESSAVG: 3787400 16.2825 -36.5517 -8.9147 -36.4987 -24.5186 23.2236 -9.31627 25.8898 13.3817 TIMING: 3787400 CPU: 11832.2, 0.00311478/step Wall: 11832.2, 0.00311478/step, 1.04916 hours remaining, 234.238281 MB of memory in use. ENERGY: 3787400 4112.5499 20603.8672 14431.8654 249.3192 -203070.1609 2618.1898 0.0000 0.0000 51856.1158 -109198.2536 298.0178 -161054.3693 -108851.3700 299.5705 -43.0551 -15.7598 760997.1961 1.6790 1.7152 PRESSURE: 3787600 198.475 155.096 -180.998 155.095 -198.676 12.4646 -180.999 12.465 -29.0269 GPRESSURE: 3787600 237.501 213.964 -125.035 7.3391 -219.68 31.7466 -30.6025 -63.5685 14.4453 PRESSAVG: 3787600 -41.8815 -41.0714 5.54669 -41.0715 4.53949 46.5544 5.54665 46.5544 6.04447 GPRESSAVG: 3787600 -41.6847 -39.8363 4.42213 -40.5446 4.58693 47.3052 7.94437 44.51 5.5253 TIMING: 3787600 CPU: 11832.8, 0.00312686/step Wall: 11832.8, 0.00312686/step, 1.05306 hours remaining, 234.238281 MB of memory in use. ENERGY: 3787600 3958.4132 20630.8015 14470.4218 242.3960 -203206.8915 2791.8929 0.0000 0.0000 51955.6327 -109157.3334 298.5897 -161112.9661 -108799.9367 299.6607 -9.7425 10.7554 763897.9037 -10.4325 -10.5242 PRESSURE: 3787800 116.925 58.2003 -83.9658 58.2002 -269.685 -23.1101 -83.9664 -23.1094 53.0801 GPRESSURE: 3787800 114.473 193.83 -156.584 46.3904 -261.119 7.03903 -72.8092 60.7495 131.65 PRESSAVG: 3787800 7.23169 17.8077 4.14974 17.8077 -36.1549 -3.27987 4.14974 -3.27983 6.20069 GPRESSAVG: 3787800 5.78075 20.378 5.04205 16.739 -35.3822 -4.54796 1.11051 -2.8468 6.56664 TIMING: 3787800 CPU: 11833.4, 0.00312341/step Wall: 11833.4, 0.00312341/step, 1.05172 hours remaining, 234.238281 MB of memory in use. ENERGY: 3787800 3989.1290 20431.0147 14391.1345 237.3188 -203055.8800 2678.0941 0.0000 0.0000 52211.6679 -109117.5209 300.0612 -161329.1889 -108742.9698 300.0470 -33.2266 -4.9987 763419.4308 -7.5742 -7.6783 PRESSURE: 3788000 190.664 88.8695 -211.295 88.8704 129.16 152.431 -211.293 152.43 179.565 GPRESSURE: 3788000 179.513 31.78 -188.391 -46.1117 240.475 136.411 -195.227 111.994 181.853 PRESSAVG: 3788000 21.3227 5.24407 20.3053 5.24412 -9.38282 8.71343 20.3053 8.7135 1.1018 GPRESSAVG: 3788000 21.6932 3.76905 19.3387 5.57371 -10.0304 9.33345 21.17 8.37277 0.996335 TIMING: 3788000 CPU: 11834, 0.00310688/step Wall: 11834, 0.00310688/step, 1.04598 hours remaining, 234.238281 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: 3788000 3981.3029 20410.2611 14380.6155 238.9338 -202988.4490 2836.6288 0.0000 0.0000 52018.2840 -109122.4230 298.9498 -161140.7070 -108755.4640 299.6209 166.4633 200.6135 763677.1334 4.3472 4.2197 PRESSURE: 3788200 287.179 65.7849 143.441 65.785 -197.391 117.076 143.441 117.076 330.686 GPRESSURE: 3788200 185.664 31.4496 155.583 48.4312 -33.9201 99.234 196.857 58.6998 337.161 PRESSAVG: 3788200 36.1275 -29.7564 14.869 -29.7564 -37.9111 -10.1651 14.8689 -10.1651 -14.7428 GPRESSAVG: 3788200 36.3662 -29.9249 15.1427 -29.2728 -37.01 -10.108 13.1379 -9.89888 -16.472 TIMING: 3788200 CPU: 11834.7, 0.0031125/step Wall: 11834.7, 0.00311249/step, 1.0477 hours remaining, 234.238281 MB of memory in use. ENERGY: 3788200 4011.9720 20652.3685 14456.3405 257.5500 -202839.8094 2610.9624 0.0000 0.0000 51848.5372 -109002.0789 297.9743 -160850.6161 -108652.4263 299.5686 140.1578 162.9683 763728.8440 -5.5088 -5.7053 LDB: ============= START OF LOAD BALANCING ============== 11847.1 LDB: ============== END OF LOAD BALANCING =============== 11847.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11847.1 LDB: ============= START OF LOAD BALANCING ============== 11847.5 LDB: Largest compute 6981 load 0.031250 is 16.0% of average load 0.195302 LDB: Average compute 0.004347 is 2.2% of average load 0.195302 LDB: TIME 11847.5 LOAD: AVG 0.195302 MAX 0.212837 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.52 MB LDB: TIME 11847.5 LOAD: AVG 0.195302 MAX 0.212837 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.52 MB LDB: TIME 11847.5 LOAD: AVG 0.195302 MAX 0.212837 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.52 MB LDB: ============== END OF LOAD BALANCING =============== 11847.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11847.5 PRESSURE: 3788400 -13.0512 22.0445 43.5221 22.0443 3.05484 -101.13 43.5222 -101.13 73.7639 GPRESSURE: 3788400 121.797 15.4638 86.271 -2.61784 -91.9487 -57.6991 54.0569 -93.0639 114.34 PRESSAVG: 3788400 65.7092 4.91351 -73.3125 4.91345 -34.2916 25.6227 -73.3125 25.6226 17.9959 GPRESSAVG: 3788400 65.0162 4.31058 -71.6647 1.84785 -34.4971 24.2385 -72.094 26.6481 19.5426 TIMING: 3788400 CPU: 11835.3, 0.00319068/step Wall: 11835.3, 0.00319068/step, 1.07384 hours remaining, 234.804688 MB of memory in use. ENERGY: 3788400 3983.6531 20458.3763 14425.5907 247.6593 -203412.8684 2915.6956 0.0000 0.0000 52312.6643 -109069.2292 300.6416 -161381.8934 -108700.9122 299.1762 21.2558 48.0628 763319.0914 16.4712 16.6872 PRESSURE: 3788600 37.3586 -75.7076 61.0965 -75.7074 293.997 -174.857 61.0962 -174.857 292.803 GPRESSURE: 3788600 129.254 -84.3662 82.6902 -70.0147 256.94 -240.529 -49.7826 -83.7688 307.351 PRESSAVG: 3788600 -18.4619 18.6669 -31.5753 18.667 26.7954 -9.87933 -31.5754 -9.87937 -4.8116 GPRESSAVG: 3788600 -18.2563 19.8153 -33.3111 19.6876 26.2855 -8.10842 -30.981 -11.0858 -4.71196 TIMING: 3788600 CPU: 11835.9, 0.00312366/step Wall: 11835.9, 0.00312366/step, 1.05111 hours remaining, 234.804688 MB of memory in use. ENERGY: 3788600 4022.5148 20538.0695 14323.5288 246.2715 -203183.5607 2926.2131 0.0000 0.0000 51964.7047 -109162.2583 298.6419 -161126.9630 -108802.1749 299.3685 208.0531 231.1815 763718.6536 1.1740 1.1058 PRESSURE: 3788800 145.844 -190.543 128.738 -190.544 -11.6516 193.322 128.738 193.322 -113.467 GPRESSURE: 3788800 176.267 -229.208 122.28 -125.733 3.86596 135.057 87.5502 181.66 -85.3199 PRESSAVG: 3788800 -8.82037 -19.3346 -8.5619 -19.3346 17.8083 48.8399 -8.56185 48.8399 -13.6353 GPRESSAVG: 3788800 -9.08609 -20.1386 -8.36089 -18.4843 18.5773 47.6262 -8.52412 49.5112 -13.9143 TIMING: 3788800 CPU: 11836.5, 0.00311628/step Wall: 11836.5, 0.00311628/step, 1.04846 hours remaining, 234.804688 MB of memory in use. ENERGY: 3788800 4011.2016 20496.8558 14400.6000 231.9263 -203442.6547 3018.1685 0.0000 0.0000 52095.1364 -109188.7660 299.3915 -161283.9025 -108826.1183 299.4828 6.9084 31.6044 764241.6840 -1.5491 -1.4744 PRESSURE: 3789000 -198.652 -70.9831 -44.812 -70.9832 -70.9849 248.852 -44.812 248.853 528.957 GPRESSURE: 3789000 -158.807 4.63622 -112.321 -106.013 -2.20795 237.164 -12.1066 200.729 527.851 PRESSAVG: 3789000 -8.89466 -26.6019 13.0573 -26.6019 4.41311 41.682 13.0573 41.682 -7.77269 GPRESSAVG: 3789000 -7.20074 -26.9875 13.9531 -27.132 3.63296 41.8354 14.0562 43.2597 -7.78623 TIMING: 3789000 CPU: 11837.2, 0.00310858/step Wall: 11837.2, 0.00310858/step, 1.04569 hours remaining, 234.804688 MB of memory in use. ENERGY: 3789000 3927.6923 20316.5787 14453.4996 228.1209 -203298.1676 3035.9996 0.0000 0.0000 52223.3002 -109112.9763 300.1280 -161336.2765 -108745.3196 299.0571 86.4400 122.2785 764873.0924 -4.0847 -3.7847 PRESSURE: 3789200 -14.7215 146.837 -150.934 146.838 -64.8283 21.6089 -150.933 21.6081 98.3165 GPRESSURE: 3789200 -20.8193 50.7817 -82.8517 166.213 18.8029 75.4383 -166.714 103.503 84.9035 PRESSAVG: 3789200 15.7795 7.37534 -17.7847 7.37528 37.0607 12.0787 -17.7846 12.0788 33.8263 GPRESSAVG: 3789200 14.499 6.73321 -19.3736 8.10038 38.7318 12.7828 -17.5017 12.2197 33.0899 TIMING: 3789200 CPU: 11837.8, 0.00312965/step Wall: 11837.8, 0.00312965/step, 1.05261 hours remaining, 234.804688 MB of memory in use. ENERGY: 3789200 3887.1877 20609.2019 14452.7815 241.6034 -202779.7452 2499.2862 0.0000 0.0000 51936.1571 -109153.5273 298.4778 -161089.6844 -108797.1744 298.8413 6.2556 27.6290 763170.9323 28.8888 28.7736 PRESSURE: 3789400 -270.689 -176.483 34.2839 -176.483 -131.518 100.999 34.2843 100.999 18.2904 GPRESSURE: 3789400 -178.891 -168.317 -17.0766 -118.963 -131.717 92.3575 -53.3319 68.8285 9.70431 PRESSAVG: 3789400 -47.8799 41.7394 -11.1037 41.7394 29.4522 89.1635 -11.1037 89.1635 -23.5902 GPRESSAVG: 3789400 -47.3765 42.6333 -9.25274 41.7203 29.4562 88.6374 -13.8161 86.9974 -23.4009 TIMING: 3789400 CPU: 11838.4, 0.00312527/step Wall: 11838.4, 0.00312527/step, 1.05096 hours remaining, 234.804688 MB of memory in use. ENERGY: 3789400 4011.4449 20397.8121 14424.6072 248.2442 -203385.6318 2962.7646 0.0000 0.0000 52046.1262 -109294.6326 299.1098 -161340.7588 -108930.3384 299.1794 -127.9720 -100.3013 763666.9215 -14.0060 -13.7737 PRESSURE: 3789600 154.088 157.853 -149.539 157.853 -17.7979 80.7225 -149.539 80.7214 -407.879 GPRESSURE: 3789600 166.168 187.283 -170.739 114.247 21.3229 65.6567 -137.244 -30.4838 -368.88 PRESSAVG: 3789600 19.8869 16.4517 4.31542 16.4517 23.1767 -18.3884 4.31541 -18.3885 30.746 GPRESSAVG: 3789600 21.2265 14.0238 2.56378 17.2724 21.3672 -18.1084 6.93786 -19.0681 31.3156 TIMING: 3789600 CPU: 11839, 0.00312523/step Wall: 11839, 0.00312523/step, 1.05077 hours remaining, 234.804688 MB of memory in use. ENERGY: 3789600 3974.3289 20450.0896 14409.4941 247.8864 -203501.1754 2967.1339 0.0000 0.0000 51934.9919 -109517.2505 298.4711 -161452.2424 -109152.8650 298.8777 -90.5296 -60.4629 762828.4492 24.6032 24.6364 PRESSURE: 3789800 -164.684 -9.6273 151.483 -9.627 -81.2314 -60.6241 151.483 -60.6236 89.4935 GPRESSURE: 3789800 -191.771 -34.1001 175.177 -3.76716 4.23101 -158.831 127.039 -52.6923 132.582 PRESSAVG: 3789800 56.0433 24.8288 33.6464 24.8289 -33.0079 -28.0239 33.6465 -28.0239 -8.55611 GPRESSAVG: 3789800 53.7288 27.2849 35.2037 22.0516 -30.2329 -28.169 33.1107 -27.7384 -9.21358 TIMING: 3789800 CPU: 11839.7, 0.00313262/step Wall: 11839.7, 0.00313262/step, 1.05308 hours remaining, 234.804688 MB of memory in use. ENERGY: 3789800 4018.4573 20604.2245 14417.2372 257.8942 -203255.7762 2702.1896 0.0000 0.0000 51818.9585 -109436.8149 297.8043 -161255.7734 -109078.5257 298.8881 -52.1406 -18.3196 762684.2723 4.8264 4.7608 PRESSURE: 3790000 0.753259 187.829 -46.4804 187.828 -293.421 -124.385 -46.4806 -124.385 -42.9616 GPRESSURE: 3790000 102.979 133.933 -71.8598 222.594 -307.824 -78.006 -43.7684 -35.6135 -71.5597 PRESSAVG: 3790000 41.8742 50.2213 29.0662 50.2214 -55.612 46.3231 29.0661 46.323 -2.47324 GPRESSAVG: 3790000 42.2451 47.9301 28.3661 54.6895 -56.2443 46.4606 29.4459 47.5759 -2.11891 TIMING: 3790000 CPU: 11840.3, 0.00312502/step Wall: 11840.3, 0.00312502/step, 1.05035 hours remaining, 234.804688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3790000 3945.7724 20510.0884 14369.9430 232.5604 -203141.4859 2598.5520 0.0000 0.0000 52276.3026 -109208.2670 300.4326 -161484.5697 -108833.6625 299.1675 -111.8764 -92.1350 763252.5972 -5.4037 -5.3727 PRESSURE: 3790200 -118.729 -3.59378 -133.188 -3.5942 -88.7987 161.773 -133.187 161.772 -337.586 GPRESSURE: 3790200 -141.279 -146.028 -143.278 -3.81833 -68.4378 189.144 -72.5101 149.108 -261.261 PRESSAVG: 3790200 7.39013 -37.7978 49.1826 -37.7978 16.1083 -3.07617 49.1826 -3.07616 -0.179427 GPRESSAVG: 3790200 7.60334 -35.6545 48.7837 -39.6658 15.4848 -2.08263 46.9897 -2.12446 0.293704 TIMING: 3790200 CPU: 11840.9, 0.0031029/step Wall: 11840.9, 0.0031029/step, 1.04275 hours remaining, 234.804688 MB of memory in use. ENERGY: 3790200 4063.4873 20452.9657 14456.6492 224.2571 -203244.2075 2651.6352 0.0000 0.0000 52343.0956 -109052.1175 300.8165 -161395.2131 -108697.3098 299.2554 -181.7046 -156.9926 764154.7712 7.7730 7.7939 PRESSURE: 3790400 -44.5135 -202.803 63.5699 -202.802 -435.917 97.1958 63.5703 97.1953 -306.98 GPRESSURE: 3790400 56.2703 -198.49 34.397 -129.346 -375.155 131.768 43.6235 76.4072 -364.708 PRESSAVG: 3790400 -1.98065 -16.8104 15.1984 -16.8104 -1.23491 35.0948 15.1984 35.0947 -17.4169 GPRESSAVG: 3790400 -1.92241 -17.9631 16.0674 -18.5876 -0.577264 34.3598 19.9839 34.9583 -18.5321 TIMING: 3790400 CPU: 11841.5, 0.00312511/step Wall: 11841.5, 0.00312511/step, 1.05004 hours remaining, 234.804688 MB of memory in use. ENERGY: 3790400 4017.3789 20400.4691 14432.7475 250.9697 -202871.3851 2370.8581 0.0000 0.0000 52260.4303 -109138.5315 300.3414 -161398.9619 -108773.7273 299.7315 -262.4702 -227.8641 763502.9457 -6.8775 -7.0106 PRESSURE: 3790600 -203.489 -56.2112 125.082 -56.2119 114.467 129.449 125.081 129.448 38.1191 GPRESSURE: 3790600 -141.592 -95.4822 59.2979 -39.39 46.5888 134.964 137.116 139.401 122.505 PRESSAVG: 3790600 -62.8218 0.635299 20.3333 0.635307 10.8432 34.1871 20.3333 34.1872 -10.8267 GPRESSAVG: 3790600 -61.722 1.02185 20.4679 1.12395 9.36605 35.2897 14.4281 34.1588 -10.782 TIMING: 3790600 CPU: 11842.2, 0.00314757/step Wall: 11842.2, 0.00314757/step, 1.05741 hours remaining, 234.929688 MB of memory in use. ENERGY: 3790600 3963.0676 20556.3176 14481.4072 239.2283 -203303.8572 2680.9104 0.0000 0.0000 52168.0229 -109214.9031 299.8103 -161382.9260 -108857.1309 299.4689 -16.9677 9.1673 764139.5230 -20.9351 -21.0460 PRESSURE: 3790800 -120.282 36.5255 146.87 36.5258 -144.947 -85.1349 146.869 -85.1363 -338.857 GPRESSURE: 3790800 -123.457 24.6704 89.6084 57.5309 -141.851 2.59001 105.987 -149.739 -263.388 PRESSAVG: 3790800 -28.3727 -25.3787 46.1568 -25.3787 -30.3489 11.55 46.1568 11.55 -0.342054 GPRESSAVG: 3790800 -29.8845 -24.6832 45.5348 -25.374 -29.3426 10.7299 47.7574 9.55711 -0.0126575 TIMING: 3790800 CPU: 11842.8, 0.00316134/step Wall: 11842.8, 0.00316134/step, 1.06186 hours remaining, 234.929688 MB of memory in use. ENERGY: 3790800 3878.1742 20720.9870 14440.7757 251.0880 -202860.4272 2487.8775 0.0000 0.0000 51903.8580 -109177.6667 298.2922 -161081.5247 -108813.6998 299.1339 -201.3618 -176.2320 764310.8461 -19.6879 -19.7466 PRESSURE: 3791000 135.786 127.466 -13.0189 127.467 -351.994 17.2382 -13.0189 17.238 -359.797 GPRESSURE: 3791000 32.4886 68.5943 -34.7355 90.0623 -227.148 -76.8868 -123.13 185.463 -307.937 PRESSAVG: 3791000 -62.3809 24.6409 14.609 24.6409 20.7836 31.7994 14.609 31.7994 -0.570641 GPRESSAVG: 3791000 -62.5367 23.1656 14.9172 25.9405 20.8481 30.3467 15.026 34.3032 -0.295257 TIMING: 3791000 CPU: 11843.4, 0.00313659/step Wall: 11843.4, 0.00313659/step, 1.05337 hours remaining, 234.929688 MB of memory in use. ENERGY: 3791000 3956.7023 20478.9722 14487.0696 266.4508 -203245.7621 2898.9776 0.0000 0.0000 52194.5963 -108962.9932 299.9631 -161157.5895 -108602.8787 299.3156 -192.0019 -167.5323 764281.7547 -14.0560 -13.9946 PRESSURE: 3791200 -233.26 166.209 71.1687 166.209 -281.392 35.4947 71.1678 35.4949 -351.387 GPRESSURE: 3791200 -257.578 184.404 77.5245 176.29 -235.821 47.9419 175.931 85.1915 -283.551 PRESSAVG: 3791200 -5.02824 -31.5153 57.4629 -31.5153 15.7472 -11.7138 57.4629 -11.7138 -5.54897 GPRESSAVG: 3791200 -4.54058 -30.0691 57.1609 -32.6511 14.5175 -10.9007 58.4734 -12.3702 -4.72934 TIMING: 3791200 CPU: 11844.1, 0.00313842/step Wall: 11844.1, 0.00313843/step, 1.05381 hours remaining, 234.929688 MB of memory in use. ENERGY: 3791200 4011.5952 20638.0579 14547.9583 248.6177 -202895.7973 2442.6083 0.0000 0.0000 51831.7089 -109175.2510 297.8775 -161006.9599 -108812.0438 299.4288 -288.6798 -258.9831 764342.9338 1.7233 1.7492 PRESSURE: 3791400 -125.67 55.0297 -34.617 55.0304 -291.705 32.1579 -34.6171 32.1581 699.172 GPRESSURE: 3791400 -66.2438 -138.46 -22.5556 116.168 -218.28 -2.00921 -83.3638 71.5284 651.794 PRESSAVG: 3791400 29.9167 -39.86 30.6254 -39.86 -2.74029 34.9435 30.6254 34.9434 8.52821 GPRESSAVG: 3791400 29.1974 -42.2477 30.6264 -37.8476 -2.10609 34.8056 30.313 36.8074 8.77838 TIMING: 3791400 CPU: 11844.7, 0.00314249/step Wall: 11844.7, 0.00314249/step, 1.055 hours remaining, 234.929688 MB of memory in use. ENERGY: 3791400 3953.4506 20543.9326 14414.0118 228.1679 -203110.6674 2675.4684 0.0000 0.0000 52133.6795 -109161.9567 299.6130 -161295.6362 -108797.6890 299.1913 93.9321 122.4234 764463.5240 11.9015 11.9566 PRESSURE: 3791600 118.889 -6.68943 39.4974 -6.68992 -150.028 -27.334 39.4974 -27.3336 119.646 GPRESSURE: 3791600 143.336 36.9886 170.222 -140.082 -36.5583 -49.3455 -71.0076 -145.06 62.9389 PRESSAVG: 3791600 -3.4543 24.1773 23.5143 24.1773 -14.8112 -23.0114 23.5143 -23.0114 -18.65 GPRESSAVG: 3791600 -4.46378 25.4457 23.6186 23.5793 -14.1503 -24.3669 22.477 -25.5796 -18.8649 TIMING: 3791600 CPU: 11845.3, 0.0031179/step Wall: 11845.3, 0.0031179/step, 1.04657 hours remaining, 234.929688 MB of memory in use. ENERGY: 3791600 4024.5115 20558.2025 14421.0871 241.4236 -203322.6240 2832.4360 0.0000 0.0000 52113.8500 -109131.1133 299.4990 -161244.9633 -108764.2696 299.0380 29.5023 56.5721 762443.4903 -12.3052 -12.4930 PRESSURE: 3791800 -8.24132 132.181 -23.588 132.18 203.33 81.4071 -23.5891 81.4075 207.092 GPRESSURE: 3791800 48.7715 100.942 -92.2581 146.405 225.491 88.3453 -127.272 -21.9585 201.264 PRESSAVG: 3791800 -44.3112 -10.5932 94.5939 -10.5932 17.5457 -18.542 94.5938 -18.542 2.3478 GPRESSAVG: 3791800 -42.8709 -10.5325 95.5053 -9.97509 16.9365 -18.2114 95.9277 -16.959 2.02555 TIMING: 3791800 CPU: 11845.9, 0.00312597/step Wall: 11845.9, 0.00312597/step, 1.04911 hours remaining, 234.929688 MB of memory in use. ENERGY: 3791800 4032.2960 20524.2557 14443.9939 265.0695 -203385.3367 2903.6734 0.0000 0.0000 51967.3800 -109248.6682 298.6572 -161216.0482 -108893.0981 299.1465 134.0604 158.5089 764440.7716 -8.1392 -7.9696 PRESSURE: 3792000 -521.897 -108.162 176.81 -108.162 -110.367 60.6428 176.81 60.6422 -502.319 GPRESSURE: 3792000 -453.025 -19.6119 219.592 25.297 -40.5512 -36.0861 128.244 40.6531 -547.923 PRESSAVG: 3792000 -27.6482 -30.8713 78.0462 -30.8713 45.882 51.1913 78.0463 51.1914 -12.3663 GPRESSAVG: 3792000 -27.3334 -30.8652 76.7171 -32.0181 45.4948 50.5009 77.5311 51.0672 -12.1247 TIMING: 3792000 CPU: 11846.6, 0.00313653/step Wall: 11846.6, 0.00313653/step, 1.05248 hours remaining, 234.929688 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: 3792000 4012.0370 20653.2575 14458.0613 249.6380 -203651.3795 2818.3963 0.0000 0.0000 52159.2899 -109300.6996 299.7602 -161459.9894 -108943.6708 298.8800 -378.1943 -347.1662 762514.3153 1.9558 2.0122 PRESSURE: 3792200 -98.5364 -59.8926 215.833 -59.8933 -184.382 224.995 215.833 224.995 491.66 GPRESSURE: 3792200 -128.319 85.6649 173.383 -108.667 -169.622 323.572 231.678 122.385 579.311 PRESSAVG: 3792200 -18.3449 31.5082 16.603 31.5082 74.033 -10.2636 16.603 -10.2636 22.8162 GPRESSAVG: 3792200 -17.9601 32.1605 16.5909 30.3451 73.9331 -9.16966 16.1661 -11.3951 22.0694 TIMING: 3792200 CPU: 11847.2, 0.00311303/step Wall: 11847.2, 0.00311303/step, 1.04442 hours remaining, 234.929688 MB of memory in use. ENERGY: 3792200 3952.5103 20531.8228 14505.5170 240.0995 -203555.5225 2774.0578 0.0000 0.0000 52124.3136 -109427.2015 299.5591 -161551.5151 -109072.7570 299.3569 69.5805 93.7898 763067.0648 26.1681 26.0141 LDB: ============= START OF LOAD BALANCING ============== 11859.7 LDB: ============== END OF LOAD BALANCING =============== 11859.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11859.7 LDB: ============= START OF LOAD BALANCING ============== 11860 LDB: Largest compute 6998 load 0.028973 is 14.8% of average load 0.195239 LDB: Average compute 0.004357 is 2.2% of average load 0.195239 LDB: TIME 11860 LOAD: AVG 0.195239 MAX 0.213897 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.582 MB LDB: TIME 11860 LOAD: AVG 0.195239 MAX 0.213897 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.582 MB LDB: TIME 11860 LOAD: AVG 0.195239 MAX 0.213897 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.582 MB LDB: ============== END OF LOAD BALANCING =============== 11860 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11860 PRESSURE: 3792400 249.707 -64.8147 -108.661 -64.8145 155.846 -105.723 -108.661 -105.722 73.7213 GPRESSURE: 3792400 322.718 -31.2239 -98.6367 64.2069 146.509 -214.943 -157.998 -231.107 101.94 PRESSAVG: 3792400 -9.72438 -1.73829 -19.4478 -1.73821 29.0696 20.9937 -19.4478 20.9937 -4.46891 GPRESSAVG: 3792400 -9.53461 -0.221848 -20.2481 -0.743079 28.6054 21.4318 -17.6777 18.6997 -3.41941 TIMING: 3792400 CPU: 11847.8, 0.00317412/step Wall: 11847.8, 0.00317412/step, 1.06474 hours remaining, 235.398438 MB of memory in use. ENERGY: 3792400 4018.7830 20442.5282 14456.6574 247.9597 -203423.2479 2762.7309 0.0000 0.0000 51866.2795 -109628.3092 298.0762 -161494.5888 -109277.8973 298.2293 159.7583 190.3889 762078.6523 4.9588 5.2171 PRESSURE: 3792600 -62.1791 -69.1746 -126.018 -69.1745 -383.566 -33.0516 -126.018 -33.0518 -257.251 GPRESSURE: 3792600 -50.279 37.2079 -41.725 -133.146 -300.604 -42.979 -173.604 -35.0922 -259.337 PRESSAVG: 3792600 28.8934 7.70986 -8.70728 7.70982 -20.4145 -0.926526 -8.70725 -0.926597 -5.27089 GPRESSAVG: 3792600 28.9904 5.77613 -8.46302 7.6446 -19.0845 -0.868817 -9.07511 1.17553 -6.3728 TIMING: 3792600 CPU: 11848.4, 0.0030994/step Wall: 11848.4, 0.0030994/step, 1.03951 hours remaining, 235.597656 MB of memory in use. ENERGY: 3792600 3940.3067 20499.9491 14426.2671 244.6588 -203716.5831 2946.5711 0.0000 0.0000 52023.7625 -109635.0679 298.9813 -161658.8304 -109277.5136 297.5267 -234.3320 -203.4069 764089.2360 1.0694 1.1777 PRESSURE: 3792800 -398.157 45.8904 86.3944 45.8906 24.8729 68.8836 86.3939 68.8832 33.0383 GPRESSURE: 3792800 -361.705 -18.4661 -23.0424 -62.0754 45.6226 33.2536 111.712 117.658 63.0935 PRESSAVG: 3792800 -19.6131 22.9986 20.8084 22.9987 6.75623 28.0856 20.8084 28.0855 20.0612 GPRESSAVG: 3792800 -20.2693 22.5855 20.2095 23.0543 6.98732 27.8111 20.0798 27.837 20.7075 TIMING: 3792800 CPU: 11849.1, 0.00310369/step Wall: 11849.1, 0.00310369/step, 1.04077 hours remaining, 235.597656 MB of memory in use. ENERGY: 3792800 4033.6984 20431.1650 14485.2905 249.2350 -203362.6129 2610.4391 0.0000 0.0000 52023.4156 -109529.3693 298.9793 -161552.7849 -109169.1266 298.0664 -113.4154 -84.3295 764320.6932 2.4014 2.4752 PRESSURE: 3793000 172.804 121.657 145.728 121.657 68.9313 -83.7585 145.728 -83.7583 77.8873 GPRESSURE: 3793000 193.329 82.3159 92.5524 53.3272 28.0305 -103.839 141.088 4.34264 183.646 PRESSAVG: 3793000 -45.3247 64.3076 44.7002 64.3076 40.5247 2.50697 44.7002 2.50698 -11.9815 GPRESSAVG: 3793000 -44.0795 63.8444 45.7141 63.9337 39.5536 1.11236 46.9975 4.10139 -12.2026 TIMING: 3793000 CPU: 11849.7, 0.00312932/step Wall: 11849.7, 0.00312932/step, 1.04919 hours remaining, 235.597656 MB of memory in use. ENERGY: 3793000 3939.5005 20626.5092 14476.1871 242.0296 -203548.1995 2924.6867 0.0000 0.0000 52054.7704 -109284.5160 299.1595 -161339.2864 -108934.4612 298.9150 106.5411 135.0019 762854.7621 -5.5938 -5.5761 PRESSURE: 3793200 227.494 -89.6016 92.5589 -89.6014 4.779 -111.539 92.5588 -111.538 -90.1732 GPRESSURE: 3793200 232.233 -100.312 55.9011 -140.843 10.4082 -87.0708 176.655 -206.151 -10.1009 PRESSAVG: 3793200 26.9173 2.01366 30.7056 2.01373 -23.7351 -2.36454 30.7056 -2.36449 14.6159 GPRESSAVG: 3793200 26.6986 3.45023 30.5248 1.98797 -24.4972 -2.5421 29.9732 -3.34541 15.5654 TIMING: 3793200 CPU: 11850.3, 0.00311109/step Wall: 11850.3, 0.00311109/step, 1.04291 hours remaining, 235.597656 MB of memory in use. ENERGY: 3793200 3960.8039 20367.1285 14435.7143 237.1330 -203237.7555 2730.7418 0.0000 0.0000 52193.8999 -109312.3341 299.9591 -161506.2340 -108945.8756 299.1528 47.3667 77.5135 761885.4816 5.9327 5.9223 PRESSURE: 3793400 310.533 -220.219 47.2846 -220.218 -46.4247 55.8625 47.2843 55.862 -45.4245 GPRESSURE: 3793400 239.883 -124.679 4.02929 -175.263 14.7299 25.2287 48.4763 -61.562 56.2106 PRESSAVG: 3793400 59.2189 -98.4489 46.355 -98.4489 -18.5478 52.4696 46.355 52.4695 -22.666 GPRESSAVG: 3793400 58.0688 -98.1713 46.4895 -99.4239 -16.978 52.9791 44.45 52.9314 -22.6384 TIMING: 3793400 CPU: 11850.9, 0.00313769/step Wall: 11850.9, 0.00313769/step, 1.05165 hours remaining, 235.597656 MB of memory in use. ENERGY: 3793400 3914.6599 20473.5147 14442.1125 248.3174 -203415.3071 2679.0350 0.0000 0.0000 52095.9062 -109561.7615 299.3959 -161657.6677 -109191.0716 298.4707 72.8946 103.6079 762054.1423 6.0017 6.1508 PRESSURE: 3793600 40.014 -100.64 4.1471 -100.64 -75.8976 -90.7615 4.14655 -90.7607 -252.088 GPRESSURE: 3793600 33.6013 -48.3535 99.4259 -79.1723 35.5206 -35.1016 38.121 -97.6827 -271.711 PRESSAVG: 3793600 14.4713 -50.0656 -43.8523 -50.0656 15.4552 20.2588 -43.8523 20.2588 -10.0202 GPRESSAVG: 3793600 15.0564 -50.3689 -44.0608 -47.5954 15.5412 20.8046 -42.6296 19.3323 -10.8945 TIMING: 3793600 CPU: 11851.6, 0.00311055/step Wall: 11851.6, 0.00311055/step, 1.04238 hours remaining, 235.597656 MB of memory in use. ENERGY: 3793600 3952.7050 20521.0359 14425.3139 245.0683 -203287.7570 2818.8814 0.0000 0.0000 52013.1325 -109311.6202 298.9202 -161324.7527 -108946.5283 298.5598 -95.9904 -67.5298 762987.3760 6.6354 6.5677 PRESSURE: 3793800 -421.701 -177.944 -137.454 -177.945 -284.894 -217.328 -137.453 -217.329 -49.531 GPRESSURE: 3793800 -451.911 -179.972 -116.628 -84.3767 -332.574 -267.395 -157.976 -147.018 93.7059 PRESSAVG: 3793800 -16.5502 -28.0501 19.924 -28.0501 14.9795 -12.6616 19.924 -12.6617 11.3468 GPRESSAVG: 3793800 -16.2714 -28.9585 19.4541 -29.2812 14.0926 -12.17 20.6379 -13.6107 11.9527 TIMING: 3793800 CPU: 11852.2, 0.00311174/step Wall: 11852.2, 0.00311174/step, 1.04261 hours remaining, 235.597656 MB of memory in use. ENERGY: 3793800 4116.1451 20611.0282 14484.8592 257.4722 -203461.0051 2616.4326 0.0000 0.0000 51793.3227 -109581.7450 297.6569 -161375.0677 -109228.0981 298.7571 -252.0418 -230.2599 764486.4518 3.2587 3.2580 PRESSURE: 3794000 -41.0363 217.28 -78.0981 217.281 255.119 38.102 -78.0979 38.1017 193.584 GPRESSURE: 3794000 25.9194 289.186 -96.1309 242.381 256.309 85.7984 -88.3266 5.04903 203.229 PRESSAVG: 3794000 -3.7748 -40.4636 -33.3996 -40.4637 -20.4065 -17.6123 -33.3996 -17.6123 -7.89326 GPRESSAVG: 3794000 -2.99244 -40.9181 -32.6041 -40.5208 -20.4694 -16.8771 -34.4228 -16.0727 -8.46825 TIMING: 3794000 CPU: 11852.8, 0.0031294/step Wall: 11852.8, 0.0031294/step, 1.04835 hours remaining, 235.597656 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: 3794000 3982.2127 20588.2994 14503.7786 247.0066 -203914.2701 3087.0241 0.0000 0.0000 51909.3276 -109596.6211 298.3236 -161505.9487 -109244.6450 298.5041 135.8888 161.8192 762927.4624 -10.6915 -10.6434 PRESSURE: 3794200 -444.499 -152.43 69.6554 -152.43 -113.783 94.812 69.6553 94.8106 -16.4664 GPRESSURE: 3794200 -419.32 -122.341 124.348 -26.3805 -34.8107 107.364 7.78137 117.113 -44.6546 PRESSAVG: 3794200 -8.88259 -3.67403 49.2234 -3.67406 -0.486538 8.02681 49.2235 8.02685 -13.7978 GPRESSAVG: 3794200 -10.8711 -0.672445 50.5169 -5.34327 0.830534 8.83214 49.6613 5.32828 -13.6273 TIMING: 3794200 CPU: 11853.4, 0.00311399/step Wall: 11853.4, 0.00311399/step, 1.04301 hours remaining, 235.597656 MB of memory in use. ENERGY: 3794200 3969.7150 20385.1723 14512.4693 223.3582 -203675.0704 2890.6466 0.0000 0.0000 51970.3145 -109723.3944 298.6741 -161693.7089 -109363.9735 298.6468 -191.5829 -166.2619 762045.8357 -7.7223 -7.8893 PRESSURE: 3794400 58.8099 197.121 -127.218 197.121 -172.845 -62.2861 -127.218 -62.2867 140.018 GPRESSURE: 3794400 -9.55296 219.736 -172.468 59.0031 -65.1385 -99.6608 -55.0094 52.0059 182.426 PRESSAVG: 3794400 7.10525 -3.7895 5.62946 -3.78947 -13.569 23.5381 5.62945 23.538 -8.82482 GPRESSAVG: 3794400 8.65902 -4.43719 3.90792 -4.11292 -14.6534 21.5506 5.02802 26.0659 -9.02556 TIMING: 3794400 CPU: 11854.1, 0.00312839/step Wall: 11854.1, 0.00312839/step, 1.04766 hours remaining, 235.597656 MB of memory in use. ENERGY: 3794400 3936.7179 20473.3264 14486.1284 246.4706 -203690.6276 2923.8139 0.0000 0.0000 52000.5100 -109623.6605 298.8476 -161624.1705 -109257.1324 298.4291 8.6609 35.9116 763267.5891 -5.0962 -5.0067 PRESSURE: 3794600 -99.2656 -63.5255 87.5127 -63.5249 -110.504 -7.452 87.5116 -7.45174 81.7681 GPRESSURE: 3794600 -134.211 -77.0752 51.3703 6.77579 -112.759 -115.675 206.248 4.88196 205.893 PRESSAVG: 3794600 -20.6208 17.1495 -25.3648 17.1495 -9.40939 -18.2729 -25.3648 -18.273 11.7726 GPRESSAVG: 3794600 -22.3113 14.8288 -25.2421 20.4868 -8.53113 -17.2709 -24.556 -17.8348 12.3015 TIMING: 3794600 CPU: 11854.7, 0.00312256/step Wall: 11854.7, 0.00312256/step, 1.04554 hours remaining, 235.597656 MB of memory in use. ENERGY: 3794600 3972.1630 20587.8013 14447.9856 253.2956 -203703.1956 2966.8763 0.0000 0.0000 52103.8194 -109371.2544 299.4414 -161475.0738 -109012.8354 298.8094 -42.6673 -13.6923 761985.6134 -6.0858 -6.1803 PRESSURE: 3794800 -34.4636 -45.4975 -134.516 -45.4976 293.62 -52.3429 -134.517 -52.3429 -226.433 GPRESSURE: 3794800 -5.67999 -26.2736 -90.8054 -42.3888 290.092 -149.659 -144.133 8.5995 -193.068 PRESSAVG: 3794800 -1.3415 -13.649 -10.6636 -13.649 -29.7507 23.2855 -10.6636 23.2855 -4.65939 GPRESSAVG: 3794800 -1.1326 -13.2707 -10.3659 -15.168 -30.9145 22.3062 -9.45862 21.4005 -4.5951 TIMING: 3794800 CPU: 11855.3, 0.00310936/step Wall: 11855.3, 0.00310936/step, 1.04094 hours remaining, 235.597656 MB of memory in use. ENERGY: 3794800 3927.0533 20543.6877 14513.2703 260.5205 -203148.3996 2565.7398 0.0000 0.0000 51922.8951 -109415.2330 298.4016 -161338.1281 -109048.0249 298.9048 10.9077 30.4479 763131.7703 -11.9172 -12.2141 PRESSURE: 3795000 86.5864 -57.5898 193.902 -57.5898 -217.071 -50.4028 193.902 -50.4026 -46.5544 GPRESSURE: 3795000 36.4061 -57.0215 240.837 -123.588 -112.408 -89.1849 71.9193 -56.8109 -32.0715 PRESSAVG: 3795000 18.2394 -18.2166 1.27812 -18.2166 -22.0671 -12.3037 1.27814 -12.3037 -4.67943 GPRESSAVG: 3795000 18.692 -18.0318 2.03889 -20.9022 -22.0084 -12.284 -0.135123 -11.7375 -5.17964 TIMING: 3795000 CPU: 11855.9, 0.00310396/step Wall: 11855.9, 0.00310396/step, 1.03897 hours remaining, 235.597656 MB of memory in use. ENERGY: 3795000 3996.6991 20655.8979 14462.3114 245.4878 -203309.6620 2845.9542 0.0000 0.0000 51895.1297 -109208.1819 298.2420 -161103.3117 -108854.3929 298.7362 -59.0132 -36.0245 763736.7291 -2.8357 -2.8320 PRESSURE: 3795200 187.87 13.2401 -104.688 13.2404 -228.027 -344.694 -104.689 -344.695 -123.813 GPRESSURE: 3795200 236.306 -120.011 -174.542 -1.27956 -167.814 -244.438 -54.9466 -379.904 -151.345 PRESSAVG: 3795200 22.7063 -20.9218 0.0537448 -20.9217 -68.4757 27.6106 0.0537593 27.6106 -15.1162 GPRESSAVG: 3795200 22.1603 -22.7845 -0.00463358 -18.8829 -68.825 29.6158 0.226381 28.6039 -14.7474 TIMING: 3795200 CPU: 11856.5, 0.00313015/step Wall: 11856.5, 0.00313015/step, 1.04756 hours remaining, 235.597656 MB of memory in use. ENERGY: 3795200 3926.8434 20616.7263 14406.9032 233.6462 -202772.5201 2407.4786 0.0000 0.0000 51730.2185 -109450.7040 297.2943 -161180.9224 -109083.0245 299.0299 -54.6567 -27.6177 764236.7159 -20.2952 -20.4707 PRESSURE: 3795400 -168.065 -76.6864 279.172 -76.6866 -274.836 -232.081 279.173 -232.082 -365.805 GPRESSURE: 3795400 -204.001 -61.4305 211.862 -65.9764 -249.667 -326.298 271.92 -309.549 -287.431 PRESSAVG: 3795400 16.5596 -43.4151 -4.2816 -43.4151 -15.9121 -9.74309 -4.28163 -9.74303 1.0815 GPRESSAVG: 3795400 15.4198 -42.6403 -4.71218 -42.9693 -14.8231 -9.47538 -4.84939 -7.41501 1.2318 TIMING: 3795400 CPU: 11857.2, 0.00311736/step Wall: 11857.2, 0.00311736/step, 1.0431 hours remaining, 235.597656 MB of memory in use. ENERGY: 3795400 3978.0999 20469.6770 14408.4753 260.1617 -203444.4577 2847.4837 0.0000 0.0000 52008.1709 -109472.3892 298.8917 -161480.5601 -109103.2178 298.7677 -269.5685 -247.0330 763987.3065 0.5763 0.6095 PRESSURE: 3795600 -78.5076 68.5199 -266.799 68.5194 -142.446 191.741 -266.799 191.741 169.239 GPRESSURE: 3795600 -78.6061 71.933 -263.028 81.3261 -26.1936 167.82 -169.452 139.892 140.363 PRESSAVG: 3795600 -2.12223 -20.8671 4.3779 -20.8671 -3.96805 11.7032 4.37789 11.7032 -10.1277 GPRESSAVG: 3795600 -0.73298 -20.1143 4.07494 -21.7823 -4.19214 11.0798 4.18737 10.3093 -10.9261 TIMING: 3795600 CPU: 11857.8, 0.00311168/step Wall: 11857.8, 0.00311168/step, 1.04103 hours remaining, 235.597656 MB of memory in use. ENERGY: 3795600 3946.7736 20275.8285 14435.3843 257.6438 -203177.3263 2748.1026 0.0000 0.0000 51772.9304 -109740.6633 297.5397 -161513.5936 -109373.1637 298.5230 -17.2382 11.8543 764139.7693 -5.4060 -5.2837 PRESSURE: 3795800 -29.6148 -32.5837 -258.929 -32.5827 -227.644 -58.8199 -258.928 -58.8206 192.671 GPRESSURE: 3795800 70.3146 -26.682 -284.08 51.4405 -159.469 -81.618 -196.779 -101.278 105.846 PRESSAVG: 3795800 3.94986 38.9399 -31.5758 38.9399 -0.422323 -33.416 -31.5758 -33.4161 -18.8093 GPRESSAVG: 3795800 4.32149 37.691 -31.9541 40.7221 -1.14708 -35.2491 -27.5558 -34.7509 -18.7337 TIMING: 3795800 CPU: 11858.4, 0.00310888/step Wall: 11858.4, 0.00310888/step, 1.03992 hours remaining, 235.597656 MB of memory in use. ENERGY: 3795800 4029.2355 20647.8395 14444.0569 248.6168 -203888.9156 2872.6604 0.0000 0.0000 51818.3729 -109828.1336 297.8009 -161646.5064 -109474.6702 297.9484 -21.5293 5.5638 762796.5276 -5.0939 -5.1864 PRESSURE: 3796000 -96.5314 182.854 -22.11 182.853 211.079 98.0084 -22.1104 98.0082 -196.474 GPRESSURE: 3796000 -76.9075 252.783 57.1728 96.2871 239.28 79.8245 -105.973 70.8479 -154.481 PRESSAVG: 3796000 -5.19178 64.7817 54.2698 64.7817 32.6471 -14.3072 54.2698 -14.3072 4.33065 GPRESSAVG: 3796000 -5.67492 65.9578 54.9771 63.2336 33.9402 -14.6313 50.2115 -13.3678 3.15654 TIMING: 3796000 CPU: 11859, 0.00313143/step Wall: 11859, 0.00313143/step, 1.04729 hours remaining, 235.597656 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: 3796000 3952.8717 20365.1814 14454.8144 252.4408 -203499.3333 2772.4103 0.0000 0.0000 52106.2419 -109595.3728 299.4553 -161701.6147 -109222.5133 298.0923 -27.3087 2.6307 762361.9119 10.5953 10.4739 PRESSURE: 3796200 -305.611 29.8775 -32.7605 29.8773 31.7035 -102.82 -32.7611 -102.82 367.464 GPRESSURE: 3796200 -159.807 122.807 27.1522 52.733 10.8569 -32.8033 -197.81 -159.372 309.999 PRESSAVG: 3796200 8.24496 -19.8152 -5.2287 -19.8152 11.2873 6.93335 -5.22871 6.93323 -0.817002 GPRESSAVG: 3796200 8.99072 -19.3955 -4.09682 -19.9546 9.93408 6.93717 -5.53467 6.48821 0.28346 TIMING: 3796200 CPU: 11859.7, 0.00311505/step Wall: 11859.7, 0.00311505/step, 1.04164 hours remaining, 235.597656 MB of memory in use. ENERGY: 3796200 4004.4275 20478.0937 14407.0246 257.4067 -203465.6145 2597.1172 0.0000 0.0000 52081.8225 -109639.7223 299.3149 -161721.5448 -109278.8189 298.4032 31.1856 53.6831 762482.5834 6.2384 6.4028 LDB: ============= START OF LOAD BALANCING ============== 11872.1 LDB: ============== END OF LOAD BALANCING =============== 11872.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11872.1 LDB: ============= START OF LOAD BALANCING ============== 11872.5 LDB: Largest compute 6998 load 0.029244 is 15.0% of average load 0.195273 LDB: Average compute 0.004383 is 2.2% of average load 0.195273 LDB: TIME 11872.5 LOAD: AVG 0.195273 MAX 0.214277 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.855 MB LDB: TIME 11872.5 LOAD: AVG 0.195273 MAX 0.214277 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.859 MB LDB: TIME 11872.5 LOAD: AVG 0.195273 MAX 0.214277 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.859 MB LDB: ============== END OF LOAD BALANCING =============== 11872.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11872.5 PRESSURE: 3796400 -227.157 99.1008 121.083 99.1002 -416.387 48.3939 121.083 48.394 -229.097 GPRESSURE: 3796400 -158.983 31.0898 189.856 80.9297 -404.619 90.5033 222.845 82.3246 -228.287 PRESSAVG: 3796400 -0.285995 45.7414 -76.5062 45.7414 -2.13034 9.51478 -76.5063 9.51487 -5.91616 GPRESSAVG: 3796400 0.0562905 45.4065 -77.1403 44.5613 -2.26567 10.6962 -75.4876 10.3927 -6.03912 TIMING: 3796400 CPU: 11860.3, 0.00317444/step Wall: 11860.3, 0.00317444/step, 1.06132 hours remaining, 235.660156 MB of memory in use. ENERGY: 3796400 3969.5460 20587.6757 14410.5278 245.6073 -203331.8065 2319.1872 0.0000 0.0000 51932.5611 -109866.7014 298.4571 -161799.2625 -109497.8254 298.6771 -290.8802 -263.9631 761902.2385 -2.7775 -2.7495 PRESSURE: 3796600 -174.003 -148.74 121.173 -148.74 182.463 -139.697 121.172 -139.699 93.1799 GPRESSURE: 3796600 -103.122 -123.538 182.209 -103.225 158.362 -141.123 202.355 -49.7302 124.617 PRESSAVG: 3796600 41.756 45.2785 -13.4992 45.2785 -67.2263 30.2619 -13.4993 30.2618 5.49179 GPRESSAVG: 3796600 41.4026 44.7418 -13.3469 45.7985 -67.1959 29.8459 -11.8147 30.2195 5.358 TIMING: 3796600 CPU: 11860.9, 0.00311337/step Wall: 11860.9, 0.00311337/step, 1.04073 hours remaining, 235.660156 MB of memory in use. ENERGY: 3796600 3969.5323 20481.0755 14415.6057 250.0882 -203151.1209 2440.5145 0.0000 0.0000 51662.0437 -109932.2609 296.9025 -161594.3047 -109560.0672 298.1525 33.8801 59.9524 762890.0058 -6.6595 -6.8118 PRESSURE: 3796800 76.205 -39.0973 339.285 -39.0974 -76.1964 163.971 339.285 163.97 -324.341 GPRESSURE: 3796800 -32.1487 14.0364 318.075 -36.6156 43.8126 -3.85116 258.682 224.453 -268.092 PRESSAVG: 3796800 6.45003 -28.6056 -32.9728 -28.6056 -13.0483 -28.2037 -32.9728 -28.2038 32.4798 GPRESSAVG: 3796800 6.78611 -27.4078 -33.6753 -29.9297 -11.9375 -28.2871 -35.0315 -29.5787 31.7566 TIMING: 3796800 CPU: 11861.5, 0.00311878/step Wall: 11861.5, 0.00311878/step, 1.04237 hours remaining, 235.660156 MB of memory in use. ENERGY: 3796800 3994.1623 20373.2245 14434.6932 249.3685 -203205.1923 2455.6184 0.0000 0.0000 51802.4241 -109895.7014 297.7092 -161698.1254 -109537.8217 298.3530 -108.1109 -85.4760 761232.0075 8.6272 8.8684 PRESSURE: 3797000 -287.486 43.994 64.3336 43.9943 -66.3463 100.708 64.3353 100.708 -219.273 GPRESSURE: 3797000 -205.501 131.504 73.5545 133.665 -66.6259 79.015 59.5979 4.34857 -239.086 PRESSAVG: 3797000 -2.71739 -23.2507 42.3983 -23.2507 15.002 -51.7542 42.3983 -51.7542 -9.98317 GPRESSAVG: 3797000 -2.35659 -23.9524 42.7217 -21.4018 14.8066 -50.2808 42.8232 -52.1334 -9.87637 TIMING: 3797000 CPU: 11862.2, 0.00310985/step Wall: 11862.2, 0.00310985/step, 1.03921 hours remaining, 235.660156 MB of memory in use. ENERGY: 3797000 4051.0105 20421.3793 14436.5612 233.2160 -203402.8397 2566.0471 0.0000 0.0000 51823.5559 -109871.0698 297.8307 -161694.6257 -109505.8373 298.0604 -191.0352 -170.4041 761030.9658 0.7671 0.8579 PRESSURE: 3797200 -262.467 -161.431 245.641 -161.429 -122.267 58.7297 245.641 58.7292 90.733 GPRESSURE: 3797200 -288.234 -136.388 311.58 -156.712 -53.1186 11.7804 94.7289 108.969 133.338 PRESSAVG: 3797200 9.69768 -23.9317 -30.8654 -23.9317 -51.3441 -11.5604 -30.8655 -11.5604 -2.98805 GPRESSAVG: 3797200 7.98983 -25.8112 -31.2374 -24.3751 -49.7659 -12.9853 -32.6105 -9.4121 -2.85407 TIMING: 3797200 CPU: 11862.8, 0.00310666/step Wall: 11862.8, 0.00310667/step, 1.03797 hours remaining, 235.660156 MB of memory in use. ENERGY: 3797200 3975.4927 20319.6448 14403.9241 256.5660 -203647.8874 2907.1211 0.0000 0.0000 51854.3741 -109930.7648 298.0078 -161785.1388 -109560.4238 297.9330 -98.0006 -69.3379 761955.3497 -14.8781 -14.8767 PRESSURE: 3797400 75.0462 239.85 78.8749 239.85 332.954 -171.175 78.8756 -171.176 185.179 GPRESSURE: 3797400 142.257 206.055 46.2293 235.918 340.86 -188.7 208.929 -146.333 214.669 PRESSAVG: 3797400 -25.0865 26.5595 23.7444 26.5595 4.40028 -8.92806 23.7444 -8.92815 34.1264 GPRESSAVG: 3797400 -23.8172 25.8505 22.6466 28.1875 3.62908 -8.84176 26.7058 -8.34585 34.237 TIMING: 3797400 CPU: 11863.4, 0.0030939/step Wall: 11863.4, 0.0030939/step, 1.03354 hours remaining, 235.660156 MB of memory in use. ENERGY: 3797400 3992.1211 20458.8343 14437.4840 254.4811 -203871.4909 2827.8535 0.0000 0.0000 52064.2891 -109836.4278 299.2142 -161900.7169 -109484.1174 298.2757 197.7264 232.5954 761216.8554 4.4801 4.6830 PRESSURE: 3797600 -482.14 -43.6176 94.5847 -43.6168 -247.828 64.5462 94.5848 64.5454 -35.9975 GPRESSURE: 3797600 -405.096 -97.7456 -3.03305 -87.1409 -198.488 50.8107 69.1074 124.239 -78.9133 PRESSAVG: 3797600 -19.986 -6.26837 -10.7077 -6.2683 -6.14004 -18.2978 -10.7077 -18.2977 25.8505 GPRESSAVG: 3797600 -18.9533 -4.78704 -10.7431 -7.88019 -6.97742 -17.318 -10.4256 -18.4201 25.726 TIMING: 3797600 CPU: 11864, 0.00311974/step Wall: 11864, 0.00311974/step, 1.04199 hours remaining, 235.660156 MB of memory in use. ENERGY: 3797600 3963.3699 20382.7815 14430.8309 240.0008 -203409.0779 2638.9434 0.0000 0.0000 51952.2965 -109800.8550 298.5706 -161753.1514 -109438.2160 298.3050 -255.3219 -227.4993 763532.9570 -0.0919 -0.0682 PRESSURE: 3797800 -163.879 -207.242 -5.957 -207.243 56.7064 80.4519 -5.95684 80.4519 113.325 GPRESSURE: 3797800 -85.5961 -226.511 -75.6362 -139.624 55.2499 71.6364 -83.708 16.3399 89.9471 PRESSAVG: 3797800 -32.8336 -58.0794 7.98474 -58.0795 12.3595 -16.7906 7.98475 -16.7906 16.6999 GPRESSAVG: 3797800 -32.7374 -56.34 10.3255 -57.1305 12.8731 -17.6458 6.7926 -17.835 15.709 TIMING: 3797800 CPU: 11864.7, 0.00311607/step Wall: 11864.7, 0.00311607/step, 1.04059 hours remaining, 235.660156 MB of memory in use. ENERGY: 3797800 3956.2453 20355.1443 14438.6844 245.8901 -203572.3878 2633.3641 0.0000 0.0000 52136.2652 -109806.7945 299.6278 -161943.0597 -109437.6329 297.7649 2.0506 19.8670 763026.5378 -1.2581 -1.3851 PRESSURE: 3798000 -34.4624 125.903 95.942 125.903 -122.139 -67.8008 95.9418 -67.8006 118.728 GPRESSURE: 3798000 26.2503 -12.5653 82.3764 83.9476 -70.6814 -62.0552 77.689 59.1164 89.1671 PRESSAVG: 3798000 55.4716 -38.1725 -15.4001 -38.1725 -31.1265 -25.9685 -15.4001 -25.9685 2.58687 GPRESSAVG: 3798000 55.1769 -40.1192 -15.4684 -39.3612 -32.2328 -25.9653 -17.0366 -24.7377 3.18485 TIMING: 3798000 CPU: 11865.3, 0.00311514/step Wall: 11865.3, 0.00311514/step, 1.04011 hours remaining, 235.660156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3798000 4009.4932 20507.7880 14423.4089 259.9968 -203672.5426 2852.4023 0.0000 0.0000 51692.6162 -109926.8373 297.0782 -161619.4534 -109576.3707 298.0570 -12.6243 14.9120 761698.6676 8.9773 8.7096 PRESSURE: 3798200 315.006 35.711 116.49 35.7119 81.4631 6.24665 116.491 6.24584 -359.928 GPRESSURE: 3798200 329.979 -84.3407 131.085 143.003 65.4934 5.44445 184.606 -176.116 -280.045 PRESSAVG: 3798200 3.22337 1.93061 1.2862 1.93053 18.4605 -59.9825 1.28622 -59.9825 -27.771 GPRESSAVG: 3798200 0.591483 2.59051 0.958965 3.72795 21.129 -59.2261 1.88115 -61.7376 -28.0959 TIMING: 3798200 CPU: 11865.9, 0.00312095/step Wall: 11865.9, 0.00312095/step, 1.04188 hours remaining, 235.660156 MB of memory in use. ENERGY: 3798200 3952.8425 20436.6871 14440.2117 242.4186 -203483.3350 2692.2906 0.0000 0.0000 52025.2276 -109693.6569 298.9897 -161718.8845 -109324.5705 297.8448 12.1802 38.4757 763061.6695 -2.0291 -2.1251 PRESSURE: 3798400 -214.389 337.127 -213.427 337.126 -1.33528 -101.805 -213.428 -101.806 -155.315 GPRESSURE: 3798400 -173.922 106.362 -235.953 144.876 -38.5155 -102.444 -178.527 -76.497 -71.5366 PRESSAVG: 3798400 37.6639 -19.549 -47.6687 -19.549 5.71471 20.6458 -47.6687 20.6457 -4.48789 GPRESSAVG: 3798400 38.2182 -21.8883 -46.4274 -20.4968 3.48361 20.7751 -47.8019 23.2192 -2.86942 TIMING: 3798400 CPU: 11866.5, 0.0031019/step Wall: 11866.5, 0.0031019/step, 1.03535 hours remaining, 235.660156 MB of memory in use. ENERGY: 3798400 3977.6733 20571.7813 14376.5784 237.6597 -203422.9194 2664.8333 0.0000 0.0000 51935.5053 -109658.8882 298.4741 -161594.3935 -109300.2100 298.3437 -123.6798 -94.6581 761932.2864 12.9636 12.9441 PRESSURE: 3798600 -94.0865 -141.309 111.236 -141.309 74.6293 178.595 111.236 178.595 245.211 GPRESSURE: 3798600 -13.4939 -75.5373 86.2021 -138.089 159.012 137.735 47.4806 166.329 160.421 PRESSAVG: 3798600 -8.55386 -42.3862 -17.9976 -42.3862 -18.8228 -15.269 -17.9976 -15.2691 -9.00038 GPRESSAVG: 3798600 -7.9881 -41.0677 -17.6231 -42.798 -18.1617 -16.6817 -18.0165 -17.0464 -10.1462 TIMING: 3798600 CPU: 11867.1, 0.00312062/step Wall: 11867.1, 0.00312062/step, 1.04142 hours remaining, 235.660156 MB of memory in use. ENERGY: 3798600 3988.8190 20379.2592 14496.1123 253.6701 -203821.4290 2989.6411 0.0000 0.0000 51934.4800 -109779.4472 298.4682 -161713.9273 -109420.5996 297.8532 75.2512 101.9797 761540.5253 -12.1257 -12.0987 PRESSURE: 3798800 -6.46999 282.481 -61.7868 282.481 -187.943 -413.659 -61.7869 -413.66 -168.386 GPRESSURE: 3798800 -40.1815 286.516 -36.562 103.37 -102.01 -350.312 -44.5465 -235.217 -137.233 PRESSAVG: 3798800 1.93325 -23.091 51.8642 -23.091 11.0247 0.450003 51.8642 0.449977 1.01589 GPRESSAVG: 3798800 1.34592 -22.6996 49.8097 -22.3937 11.6931 1.16807 53.2866 0.938216 0.510278 TIMING: 3798800 CPU: 11867.8, 0.00312572/step Wall: 11867.8, 0.00312572/step, 1.04295 hours remaining, 235.660156 MB of memory in use. ENERGY: 3798800 3984.5976 20455.8126 14461.7952 269.7155 -203567.2995 2751.1110 0.0000 0.0000 51838.1066 -109806.1609 297.9143 -161644.2675 -109441.4822 298.4141 -120.9327 -93.1414 761976.0389 4.6579 4.5164 PRESSURE: 3799000 149.262 -231.694 85.1043 -231.694 50.7659 -237.342 85.1042 -237.342 -169.701 GPRESSURE: 3799000 164.566 -182.991 -23.9551 -92.1098 67.9576 -212.472 29.1996 -82.2514 -105.365 PRESSAVG: 3799000 -19.2455 -39.9496 -6.99539 -39.9496 33.6009 -5.21233 -6.9954 -5.21229 -19.0753 GPRESSAVG: 3799000 -20.4859 -41.1519 -5.32696 -38.5495 33.3888 -6.50467 -7.65486 -3.84215 -18.0004 TIMING: 3799000 CPU: 11868.4, 0.00310441/step Wall: 11868.4, 0.00310441/step, 1.03566 hours remaining, 235.660156 MB of memory in use. ENERGY: 3799000 3945.9236 20516.1959 14384.1051 256.3964 -203469.0855 2869.9159 0.0000 0.0000 51836.4867 -109660.0620 297.9050 -161496.5487 -109294.1482 298.2114 10.1088 42.3865 761087.9061 -1.5733 -1.6991 PRESSURE: 3799200 -241.808 -26.8452 165.219 -26.8452 -13.757 129.95 165.219 129.95 -54.7677 GPRESSURE: 3799200 -277.172 -14.0153 277.438 -62.2642 48.3366 74.668 142.951 246.483 -0.247262 PRESSAVG: 3799200 -6.06356 -43.005 -54.6896 -43.005 -31.0913 1.18368 -54.6896 1.18363 -5.13777 GPRESSAVG: 3799200 -4.27825 -41.8752 -56.3542 -42.4068 -31.9322 2.47909 -53.7396 1.98198 -5.62578 TIMING: 3799200 CPU: 11869, 0.00310961/step Wall: 11869, 0.00310961/step, 1.03723 hours remaining, 235.660156 MB of memory in use. ENERGY: 3799200 4006.9897 20493.7734 14431.3658 246.3754 -203467.0052 2723.0782 0.0000 0.0000 52050.2390 -109515.1837 299.1334 -161565.4227 -109152.1357 299.3944 -103.4441 -76.3610 760332.0715 -14.0975 -13.9454 PRESSURE: 3799400 -266.916 45.067 -51.37 45.0678 -345.382 -165.894 -51.3701 -165.895 -227.134 GPRESSURE: 3799400 -205.995 -7.6949 -37.0797 35.4631 -339.917 -224.957 198.818 -188.228 -226.215 PRESSAVG: 3799400 45.1651 0.991851 0.741842 0.991888 -42.5359 -48.8998 0.741838 -48.8998 7.13887 GPRESSAVG: 3799400 44.0937 0.183803 1.95617 -2.08847 -42.3079 -48.2948 -0.485404 -50.6917 6.5748 TIMING: 3799400 CPU: 11869.6, 0.00310908/step Wall: 11869.6, 0.00310908/step, 1.03688 hours remaining, 235.660156 MB of memory in use. ENERGY: 3799400 3945.0176 20485.6559 14388.8993 236.8142 -203085.8075 2312.3378 0.0000 0.0000 52003.4930 -109713.5898 298.8648 -161717.0827 -109341.6075 298.2194 -279.8105 -257.3755 761879.4297 3.2560 2.7869 PRESSURE: 3799600 145.794 89.5137 9.10984 89.5138 -202.224 -223.746 9.10973 -223.746 154.108 GPRESSURE: 3799600 262.637 67.9375 69.7886 150.02 -175.838 -195.774 -47.4456 -213.973 114.073 PRESSAVG: 3799600 43.2266 17.2269 36.785 17.2269 -23.0721 -19.1126 36.7851 -19.1126 7.77677 GPRESSAVG: 3799600 44.0344 20.2717 36.7516 17.6668 -22.9079 -19.4153 38.2086 -20.9044 6.91268 TIMING: 3799600 CPU: 11870.3, 0.00312367/step Wall: 11870.3, 0.00312367/step, 1.04157 hours remaining, 235.660156 MB of memory in use. ENERGY: 3799600 3907.9906 20603.7876 14404.1767 256.6066 -203558.6957 2730.2409 0.0000 0.0000 52110.3237 -109545.5696 299.4787 -161655.8933 -109180.4785 298.6325 32.5593 66.9573 760232.6249 9.3104 9.3464 PRESSURE: 3799800 -62.5882 18.4749 -48.7833 18.4753 -277.092 18.7377 -48.7826 18.7373 336.12 GPRESSURE: 3799800 62.4822 -57.9423 -56.2198 -156.39 -229.185 -21.9851 -165.443 -64.7878 233.716 PRESSAVG: 3799800 39.684 -69.6173 42.8028 -69.6172 -60.8071 -3.46205 42.8027 -3.4621 -3.7968 GPRESSAVG: 3799800 39.9337 -71.5379 41.3727 -68.3739 -61.7936 -3.85397 41.9741 -2.6798 -2.9598 TIMING: 3799800 CPU: 11870.9, 0.00311309/step Wall: 11870.9, 0.00311309/step, 1.03787 hours remaining, 235.660156 MB of memory in use. ENERGY: 3799800 4005.2235 20472.6256 14398.7287 254.4101 -203576.5299 2811.1598 0.0000 0.0000 52122.9576 -109511.4245 299.5514 -161634.3822 -109140.0043 299.3081 -1.1867 22.3380 760677.9789 -8.3067 -8.2732 WRITING COORDINATES TO DCD FILE MD.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: 3800000 334.616 143.892 109.876 143.891 -15.8703 -172.071 109.877 -172.071 -410.434 GPRESSURE: 3800000 279.575 144.8 156.371 104.362 21.172 -144.441 70.5379 -85.7593 -309.8 PRESSAVG: 3800000 37.5724 -37.0236 11.5474 -37.0235 -14.7389 12.3806 11.5474 12.3806 11.3859 GPRESSAVG: 3800000 37.782 -37.1465 13.1389 -36.6598 -14.5043 10.7911 11.7952 13.2582 11.0193 TIMING: 3800000 CPU: 11871.6, 0.0033737/step Wall: 11871.6, 0.0033737/step, 1.12457 hours remaining, 235.785156 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: 3800000 3942.3426 20557.5034 14408.7536 248.8212 -203622.4057 2973.3578 0.0000 0.0000 52158.8888 -109332.7382 299.7579 -161491.6270 -108962.3994 299.2822 -30.5628 -3.0179 761845.8555 11.4065 11.4324 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3800000 PRESSURE: 3800200 -171.249 34.2739 37.3671 34.2734 -306.415 200.576 37.3669 200.576 320.178 GPRESSURE: 3800200 -141.975 -67.3707 41.0034 49.3834 -280.714 107.527 60.4022 112.591 331.006 PRESSAVG: 3800200 17.7648 -40.921 -39.6812 -40.9209 25.3221 -22.1225 -39.6812 -22.1224 -3.45434 GPRESSAVG: 3800200 15.8632 -42.9131 -38.7031 -41.4012 26.083 -21.6851 -39.4065 -22.7918 -2.26243 TIMING: 3800200 CPU: 11872.2, 0.00322398/step Wall: 11872.2, 0.00322398/step, 1.07448 hours remaining, 235.785156 MB of memory in use. ENERGY: 3800200 3989.0215 20732.2862 14389.8133 227.1188 -203531.1294 2734.3254 0.0000 0.0000 52207.6725 -109250.8917 300.0382 -161458.5642 -108892.6108 299.6369 -52.4950 -30.5611 760645.6587 13.2109 13.2279 LDB: ============= START OF LOAD BALANCING ============== 11884.7 LDB: ============== END OF LOAD BALANCING =============== 11884.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11884.7 LDB: ============= START OF LOAD BALANCING ============== 11885 LDB: Largest compute 6998 load 0.029302 is 15.0% of average load 0.195319 LDB: Average compute 0.004363 is 2.2% of average load 0.195319 LDB: TIME 11885 LOAD: AVG 0.195319 MAX 0.217641 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.723 MB LDB: TIME 11885 LOAD: AVG 0.195319 MAX 0.217641 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.723 MB LDB: TIME 11885 LOAD: AVG 0.195319 MAX 0.217641 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.723 MB LDB: ============== END OF LOAD BALANCING =============== 11885 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11885 PRESSURE: 3800400 -194.173 25.57 23.959 25.5707 40.0345 -15.2027 23.9589 -15.203 110.392 GPRESSURE: 3800400 -200.244 98.5291 -18.8532 -150.794 80.0928 40.0474 27.3159 41.2587 169.864 PRESSAVG: 3800400 -0.756467 -37.3715 -24.2206 -37.3716 -6.39166 -3.01944 -24.2206 -3.0193 2.61486 GPRESSAVG: 3800400 -0.240835 -32.7801 -27.3329 -38.1027 -6.99017 -1.01179 -24.6718 -5.6765 2.6303 TIMING: 3800400 CPU: 11872.8, 0.00317012/step Wall: 11872.8, 0.00317012/step, 1.05635 hours remaining, 234.886719 MB of memory in use. ENERGY: 3800400 4055.8849 20461.5581 14412.4234 234.9460 -203219.8024 2886.2578 0.0000 0.0000 51992.2888 -109176.4434 298.8004 -161168.7322 -108815.6177 299.7349 -14.5822 16.5706 762055.9264 -1.5111 -1.5336 PRESSURE: 3800600 -83.4959 -6.13917 -210.182 -6.13924 297.798 97.5842 -210.182 97.5834 -28.0392 GPRESSURE: 3800600 -22.3098 -106.107 -152.765 105.097 258.463 180.587 -50.1876 162.014 24.418 PRESSAVG: 3800600 -22.7461 -30.496 -32.5011 -30.496 7.42723 9.72526 -32.501 9.72524 -8.41928 GPRESSAVG: 3800600 -21.6964 -31.5499 -28.8167 -31.4031 7.43935 9.36875 -30.8497 13.0427 -9.43164 TIMING: 3800600 CPU: 11873.5, 0.00308537/step Wall: 11873.5, 0.00308537/step, 1.02794 hours remaining, 234.957031 MB of memory in use. ENERGY: 3800600 3945.2795 20428.2093 14417.2497 254.3382 -203390.0631 2784.3503 0.0000 0.0000 52038.1607 -109522.4754 299.0640 -161560.6361 -109162.4800 299.0222 62.0875 86.8572 762879.0142 -7.9127 -7.8962 PRESSURE: 3800800 187.788 -105.432 -23.464 -105.433 307.892 129.224 -23.4639 129.224 21.7329 GPRESSURE: 3800800 188.958 -32.8805 -35.5765 -161.078 325.795 151.96 15.2001 53.7721 79.1459 PRESSAVG: 3800800 12.4032 -28.2266 -26.3554 -28.2266 -20.6504 38.7606 -26.3554 38.7607 -13.0462 GPRESSAVG: 3800800 10.911 -28.7534 -27.8832 -27.2143 -19.402 37.8218 -26.4641 37.6597 -12.3678 TIMING: 3800800 CPU: 11874.1, 0.00309635/step Wall: 11874.1, 0.00309635/step, 1.03143 hours remaining, 235.156250 MB of memory in use. ENERGY: 3800800 3894.6602 20576.7494 14394.0449 245.8585 -203363.2848 2769.3180 0.0000 0.0000 52259.0593 -109223.5944 300.3335 -161482.6537 -108860.8914 299.0737 172.4708 197.9664 762491.4538 -7.0978 -6.9529 PRESSURE: 3801000 183.37 -219.059 106.927 -219.058 544.946 182.063 106.927 182.064 -325.719 GPRESSURE: 3801000 204.456 -244.762 65.9488 -157.685 573.801 157.672 56.8044 -4.70909 -296.3 PRESSAVG: 3801000 6.91336 -47.6837 -13.5923 -47.6838 -22.2863 -13.6885 -13.5923 -13.6885 9.34267 GPRESSAVG: 3801000 7.94679 -49.4394 -12.2318 -47.7282 -22.4766 -12.7943 -15.4303 -15.97 8.45188 TIMING: 3801000 CPU: 11874.7, 0.00311157/step Wall: 11874.7, 0.00311157/step, 1.03633 hours remaining, 235.156250 MB of memory in use. ENERGY: 3801000 3957.4971 20621.6261 14423.8979 257.8790 -203848.2101 2968.9025 0.0000 0.0000 52169.5411 -109448.8664 299.8191 -161618.4075 -109088.8937 298.8710 134.1990 160.6524 762413.8660 -2.0101 -2.0260 PRESSURE: 3801200 -155.377 173.074 19.7224 173.075 229.33 247.75 19.7226 247.75 -76.7202 GPRESSURE: 3801200 -150.942 172.72 22.3342 137.377 248.549 271.485 29.0335 242.357 -28.0682 PRESSAVG: 3801200 2.71005 -14.9134 -30.3108 -14.9134 1.31265 -16.6604 -30.3107 -16.6605 -6.02347 GPRESSAVG: 3801200 4.05852 -14.6519 -31.4098 -16.983 -0.942828 -17.8465 -28.5043 -15.3843 -4.81371 TIMING: 3801200 CPU: 11875.3, 0.00313295/step Wall: 11875.3, 0.00313295/step, 1.04327 hours remaining, 235.156250 MB of memory in use. ENERGY: 3801200 3949.8720 20521.3054 14368.2893 262.2295 -203191.0859 2804.0523 0.0000 0.0000 51891.5184 -109393.8191 298.2213 -161285.3374 -109037.2756 299.0293 -0.9225 23.1797 763140.2758 -0.6669 -0.5660 PRESSURE: 3801400 183.701 -26.3952 55.0453 -26.394 53.922 14.8354 55.0463 14.8362 -392.969 GPRESSURE: 3801400 132.731 73.2638 103.756 -20.5375 136.386 -5.38581 -45.053 29.8494 -337.183 PRESSAVG: 3801400 -2.19544 -84.1461 34.0002 -84.146 -10.3902 37.1932 34.0003 37.1932 -9.59328 GPRESSAVG: 3801400 -2.58281 -82.1854 33.6858 -81.567 -9.56604 37.5456 33.2704 39.3999 -9.74107 TIMING: 3801400 CPU: 11875.9, 0.00311014/step Wall: 11875.9, 0.00311014/step, 1.0355 hours remaining, 235.156250 MB of memory in use. ENERGY: 3801400 3999.4993 20588.8914 14403.5905 246.0580 -203578.8597 2794.6871 0.0000 0.0000 51952.2042 -109593.9291 298.5700 -161546.1333 -109231.3113 298.6799 -51.7822 -22.6885 762691.3378 -7.3930 -7.2966 PRESSURE: 3801600 -267.064 49.4938 -203.013 49.4938 -80.424 128.839 -203.012 128.839 338.661 GPRESSURE: 3801600 -164.988 106.875 -176.257 120.646 -76.193 42.2467 -72.882 90.1108 314.21 PRESSAVG: 3801600 5.65032 -41.2507 35.2611 -41.2507 15.6708 14.2202 35.261 14.2201 10.3479 GPRESSAVG: 3801600 3.45933 -41.2393 37.4792 -41.8336 17.3023 14.4761 33.4325 11.568 11.3504 TIMING: 3801600 CPU: 11876.6, 0.0031038/step Wall: 11876.6, 0.0031038/step, 1.03322 hours remaining, 235.156250 MB of memory in use. ENERGY: 3801600 3967.1628 20325.0219 14407.3851 242.3460 -203185.7754 2571.4927 0.0000 0.0000 51870.5033 -109801.8636 298.1005 -161672.3669 -109436.5016 298.4476 -2.9423 24.3427 762993.7447 10.5563 10.7040 PRESSURE: 3801800 -179.393 -13.5548 -92.5434 -13.5555 -18.6713 -84.8446 -92.5428 -84.8456 289.662 GPRESSURE: 3801800 -133.79 87.9089 -63.2648 -63.9389 100.061 -68.0792 -155.748 19.4725 224.399 PRESSAVG: 3801800 44.2949 -21.2707 41.96 -21.2707 -38.6343 81.1105 41.96 81.1105 -30.0385 GPRESSAVG: 3801800 45.9884 -20.3917 41.0136 -21.7634 -39.4334 83.8031 43.1204 81.2675 -31.0434 TIMING: 3801800 CPU: 11877.2, 0.00312776/step Wall: 11877.2, 0.00312776/step, 1.04102 hours remaining, 235.156250 MB of memory in use. ENERGY: 3801800 3959.5280 20463.0906 14419.8641 257.0755 -203630.3571 2956.4319 0.0000 0.0000 51923.3220 -109651.0450 298.4040 -161574.3670 -109288.6917 298.5705 30.5325 63.5567 764591.6654 -8.1260 -8.1628 PRESSURE: 3802000 553.956 -274.704 63.2139 -274.703 -60.0858 107.874 63.2134 107.874 -16.5393 GPRESSURE: 3802000 519.553 -314.382 99.6323 -261.829 -63.5617 125.887 -53.0462 47.6735 101.529 PRESSAVG: 3802000 63.4059 -25.3133 5.0881 -25.3133 -13.3864 33.9637 5.08809 33.9638 2.75981 GPRESSAVG: 3802000 62.3428 -25.482 4.91643 -24.1336 -12.4737 31.8016 4.23812 37.3462 3.17377 TIMING: 3802000 CPU: 11877.8, 0.00312606/step Wall: 11877.8, 0.00312606/step, 1.04028 hours remaining, 235.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3802000 3976.6931 20548.3888 14419.1817 227.9427 -203419.3777 2865.0475 0.0000 0.0000 51905.5295 -109476.5945 298.3018 -161382.1240 -109122.7964 298.2531 159.1103 185.8400 761757.7165 17.5931 17.6810 PRESSURE: 3802200 -4.23888 133.665 -52.895 133.666 106.142 71.8993 -52.895 71.9001 -66.975 GPRESSURE: 3802200 22.1806 0.716047 -45.141 152.109 226.593 18.1187 -16.707 -117.342 -129.603 PRESSAVG: 3802200 -18.5416 -46.6774 34.6738 -46.6773 -23.8089 -5.74146 34.6738 -5.74147 7.39951 GPRESSAVG: 3802200 -16.9852 -49.1838 34.9358 -48.1213 -23.93 -5.96585 36.7843 -10.2289 6.13793 TIMING: 3802200 CPU: 11878.4, 0.00312991/step Wall: 11878.4, 0.00312991/step, 1.04139 hours remaining, 235.156250 MB of memory in use. ENERGY: 3802200 3975.4555 20227.8406 14409.8130 235.2863 -203515.0443 3021.7219 0.0000 0.0000 52235.4593 -109409.4678 300.1979 -161644.9271 -109036.6675 298.8626 11.6427 39.7236 762316.4424 -11.6503 -11.5924 PRESSURE: 3802400 -24.0144 -56.2383 162.422 -56.239 311.508 -53.9678 162.422 -53.9683 136.513 GPRESSURE: 3802400 -11.8797 -1.53054 150.74 -32.9018 390.926 -62.6796 24.0994 -25.5622 107.961 PRESSAVG: 3802400 -29.5929 -80.5627 -4.54781 -80.5627 -22.9512 3.21488 -4.54784 3.21497 10.8717 GPRESSAVG: 3802400 -30.3727 -82.1133 -3.74154 -79.832 -23.5681 3.75163 -6.15142 6.78381 11.9117 TIMING: 3802400 CPU: 11879.1, 0.00312259/step Wall: 11879.1, 0.00312259/step, 1.03878 hours remaining, 235.156250 MB of memory in use. ENERGY: 3802400 3996.4282 20547.1844 14478.3863 243.8504 -203284.7877 2714.0789 0.0000 0.0000 51818.5379 -109486.3216 297.8018 -161304.8595 -109128.3657 298.8154 141.3355 162.3359 762510.0687 -13.8908 -14.0097 PRESSURE: 3802600 139.528 -121.794 -96.5928 -121.794 171.651 -172.44 -96.5929 -172.441 -0.931042 GPRESSURE: 3802600 214.875 -54.482 -150.1 -202.364 93.1621 -29.2085 54.0811 -187.943 74.3714 PRESSAVG: 3802600 -10.9073 -33.4819 -12.0092 -33.4818 46.3067 24.5262 -12.0091 24.5263 27.9253 GPRESSAVG: 3802600 -10.1142 -30.5309 -14.6661 -34.2374 46.6515 23.1233 -10.9024 25.1054 26.9141 TIMING: 3802600 CPU: 11879.7, 0.00313467/step Wall: 11879.7, 0.00313468/step, 1.04263 hours remaining, 235.156250 MB of memory in use. ENERGY: 3802600 4048.9284 20463.9589 14453.3331 252.6967 -203816.4550 3084.3101 0.0000 0.0000 52188.5092 -109324.7186 299.9281 -161513.2278 -108956.5976 298.8635 103.4161 127.4695 762455.1450 21.1082 21.1505 PRESSURE: 3802800 183.42 157.234 -17.5693 157.235 193.111 240.175 -17.5681 240.176 -50.9077 GPRESSURE: 3802800 121.595 136.194 -10.0159 110.712 302.239 182.8 32.5561 200.747 -17.2794 PRESSAVG: 3802800 16.223 -30.4322 -63.1007 -30.4322 -17.123 2.46348 -63.1008 2.4635 -6.84261 GPRESSAVG: 3802800 16.5545 -31.8347 -61.6598 -27.8529 -17.3099 2.92664 -65.7557 -0.251158 -6.98339 TIMING: 3802800 CPU: 11880.3, 0.00313124/step Wall: 11880.3, 0.00313124/step, 1.04131 hours remaining, 235.156250 MB of memory in use. ENERGY: 3802800 4038.9022 20540.2132 14416.3943 237.7636 -203546.6673 2920.3810 0.0000 0.0000 51994.6724 -109398.3405 298.8141 -161393.0129 -109038.3372 299.0104 108.5410 135.5183 762557.4084 -2.5809 -2.5796 PRESSURE: 3803000 -253.197 85.4973 -63.3297 85.4972 -115.21 118.165 -63.3303 118.166 -479.749 GPRESSURE: 3803000 -282.866 77.4344 -1.98892 83.8974 -36.0202 86.4326 -44.0407 111.025 -473.559 PRESSAVG: 3803000 -5.41702 -6.99136 -6.438 -6.99131 28.7822 6.22639 -6.43799 6.22637 -19.167 GPRESSAVG: 3803000 -7.11466 -6.08644 -5.46491 -10.2559 29.3791 6.06383 -5.3265 8.67226 -18.4302 TIMING: 3803000 CPU: 11880.9, 0.00312052/step Wall: 11880.9, 0.00312052/step, 1.03757 hours remaining, 235.156250 MB of memory in use. ENERGY: 3803000 3975.4452 20440.8555 14368.7410 236.0368 -203314.0937 2405.5162 0.0000 0.0000 52381.3421 -109506.1570 301.0363 -161887.4991 -109138.6415 298.8726 -282.7184 -264.1486 763249.7758 1.3994 1.2781 PRESSURE: 3803200 76.076 -185.074 -96.1067 -185.074 24.7201 -59.393 -96.1057 -59.3921 160.823 GPRESSURE: 3803200 130.919 -57.7865 -71.3954 -223.008 36.6057 -57.8517 -101.445 -43.0093 169.978 PRESSAVG: 3803200 8.30191 -35.8758 -16.7452 -35.8758 10.7013 -25.753 -16.7452 -25.7529 14.0055 GPRESSAVG: 3803200 8.98737 -34.4789 -17.0725 -34.3466 10.4419 -25.6164 -18.2218 -26.9032 13.3859 TIMING: 3803200 CPU: 11881.6, 0.00313542/step Wall: 11881.6, 0.00313542/step, 1.04235 hours remaining, 235.156250 MB of memory in use. ENERGY: 3803200 3965.2708 20394.2700 14448.1703 238.7411 -203468.8190 2760.3129 0.0000 0.0000 52099.9207 -109562.1332 299.4190 -161662.0539 -109196.1351 298.9514 87.2063 112.5010 761240.2844 11.0029 10.9384 PRESSURE: 3803400 23.5678 197.466 -30.2585 197.467 -178.309 -142.953 -30.2591 -142.953 -199.753 GPRESSURE: 3803400 29.9608 80.8874 -68.1724 188.659 -184.813 -151.206 -46.3058 -24.2261 -107.994 PRESSAVG: 3803400 -0.531748 -3.55765 -34.1401 -3.55762 -19.8089 -17.5473 -34.1402 -17.5473 23.7184 GPRESSAVG: 3803400 -0.63283 -4.85934 -33.7961 -2.05889 -20.3265 -17.1442 -32.2778 -17.354 24.5986 TIMING: 3803400 CPU: 11882.2, 0.00312638/step Wall: 11882.2, 0.00312638/step, 1.03917 hours remaining, 235.156250 MB of memory in use. ENERGY: 3803400 3998.2693 20401.3801 14442.3922 258.8118 -202988.6555 2598.8813 0.0000 0.0000 51833.4494 -109455.4713 297.8875 -161288.9208 -109089.1336 298.8436 -118.1649 -87.6154 763673.6245 1.1259 1.2131 PRESSURE: 3803600 -260.942 -37.1365 183.277 -37.1357 13.7204 57.5522 183.277 57.5508 -97.8123 GPRESSURE: 3803600 -194.081 -12.9637 235.851 -67.954 76.6252 3.62096 216.029 -64.2397 -144.539 PRESSAVG: 3803600 14.7089 6.37576 -43.1247 6.37568 -11.9395 15.1128 -43.1247 15.1128 1.18585 GPRESSAVG: 3803600 15.9038 6.65521 -41.1313 5.29532 -12.2664 14.222 -44.2551 17.2139 0.203444 TIMING: 3803600 CPU: 11882.8, 0.00312192/step Wall: 11882.8, 0.00312192/step, 1.03752 hours remaining, 235.156250 MB of memory in use. ENERGY: 3803600 4027.2734 20434.5053 14403.6836 243.7276 -203219.2759 2736.6450 0.0000 0.0000 51999.7360 -109373.7050 298.8432 -161373.4410 -109018.0733 299.0996 -115.0112 -87.3314 764365.8538 1.3184 1.2803 PRESSURE: 3803800 163.666 99.8106 68.4274 99.8107 368.377 -74.9772 68.4272 -74.9766 201.874 GPRESSURE: 3803800 250.005 180.257 74.9197 137.648 317.501 -105.924 145.678 -60.7482 216.457 PRESSAVG: 3803800 -34.9114 -56.03 28.1209 -56.03 -14.7324 6.32171 28.1209 6.32161 10.0839 GPRESSAVG: 3803800 -37.0825 -55.5923 24.563 -55.4641 -14.4463 7.08005 28.8247 3.70338 11.3942 TIMING: 3803800 CPU: 11883.4, 0.00313265/step Wall: 11883.4, 0.00313265/step, 1.04091 hours remaining, 235.156250 MB of memory in use. ENERGY: 3803800 4017.3745 20548.9973 14335.0841 248.7987 -203591.3613 2850.6027 0.0000 0.0000 52147.7450 -109442.7590 299.6938 -161590.5040 -109075.8112 299.4437 244.6391 261.3209 761657.6186 -13.1866 -13.3782 PRESSURE: 3804000 164.369 -163.967 207.562 -163.968 -55.0533 41.4431 207.562 41.4431 -152.903 GPRESSURE: 3804000 138.371 -192.316 120.385 -122.73 88.4541 -5.82295 234.812 42.4698 -199.087 PRESSAVG: 3804000 -16.2841 -84.5137 19.9885 -84.5137 7.52835 42.3937 19.9885 42.3936 15.0241 GPRESSAVG: 3804000 -15.3415 -85.3714 21.6906 -84.525 6.88129 43.6033 18.5556 42.3731 15.0431 TIMING: 3804000 CPU: 11884.1, 0.00313395/step Wall: 11884.1, 0.00313395/step, 1.04117 hours remaining, 235.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3804000 3978.3818 20673.2964 14370.7683 250.5287 -203348.1443 2745.8124 0.0000 0.0000 51773.0605 -109556.2962 297.5405 -161329.3566 -109197.2648 298.9293 -14.5293 9.2460 761092.2687 2.0895 2.1943 PRESSURE: 3804200 118.997 52.7245 -60.855 52.7243 -332.205 -234.335 -60.8554 -234.334 159.203 GPRESSURE: 3804200 148.466 72.3104 -15.2581 71.8525 -289.85 -228.284 -62.365 -189.427 151.384 PRESSAVG: 3804200 24.9921 -29.5366 20.825 -29.5366 -22.3162 23.554 20.825 23.5541 -0.449553 GPRESSAVG: 3804200 25.1826 -29.4021 19.4591 -29.895 -21.4039 22.8397 19.929 23.9004 -1.0551 TIMING: 3804200 CPU: 11884.7, 0.0031398/step Wall: 11884.7, 0.0031398/step, 1.04294 hours remaining, 235.156250 MB of memory in use. ENERGY: 3804200 3993.8047 20530.3528 14466.6902 227.6516 -203058.4931 2557.5728 0.0000 0.0000 51797.1323 -109485.2887 297.6788 -161282.4209 -109127.8916 298.5538 -18.0018 3.3332 762898.4105 0.7421 0.9079 LDB: ============= START OF LOAD BALANCING ============== 11897.2 LDB: ============== END OF LOAD BALANCING =============== 11897.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11897.2 LDB: ============= START OF LOAD BALANCING ============== 11897.5 LDB: Largest compute 6981 load 0.029209 is 15.0% of average load 0.195244 LDB: Average compute 0.004392 is 2.2% of average load 0.195244 LDB: TIME 11897.5 LOAD: AVG 0.195244 MAX 0.212159 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.316 MB LDB: TIME 11897.5 LOAD: AVG 0.195244 MAX 0.212159 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.34 MB LDB: TIME 11897.5 LOAD: AVG 0.195244 MAX 0.212159 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.34 MB LDB: ============== END OF LOAD BALANCING =============== 11897.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11897.5 PRESSURE: 3804400 -106.487 -102.257 1.44173 -102.257 140.487 61.1338 1.44206 61.1343 63.0523 GPRESSURE: 3804400 -81.1965 -165.294 23.1151 -190.546 179.121 34.9563 -39.9683 31.0143 96.3478 PRESSAVG: 3804400 -21.4231 -37.7866 -16.8845 -37.7866 21.8878 14.1911 -16.8846 14.1911 16.8907 GPRESSAVG: 3804400 -21.376 -38.9051 -16.9944 -36.2929 21.7064 14.2607 -13.5498 13.4411 17.2578 TIMING: 3804400 CPU: 11885.3, 0.00321409/step Wall: 11885.3, 0.00321409/step, 1.06744 hours remaining, 237.402344 MB of memory in use. ENERGY: 3804400 3891.3553 20520.4912 14412.5165 237.3321 -203420.1200 2953.9092 0.0000 0.0000 52164.8302 -109239.6855 299.7920 -161404.5157 -108882.2846 298.9421 32.3507 64.7575 763419.1101 5.7851 5.8627 PRESSURE: 3804600 255.926 -119.644 130.128 -119.644 348.68 159.673 130.128 159.674 371.689 GPRESSURE: 3804600 303.86 -124.538 193.41 -59.5134 417.46 74.5606 200.689 149.418 334.795 PRESSAVG: 3804600 -76.8204 -22.6385 -17.8567 -22.6385 77.251 17.8977 -17.8567 17.8977 -5.48821 GPRESSAVG: 3804600 -77.3294 -21.4124 -18.3331 -22.2257 78.545 15.9167 -20.1008 17.5022 -6.07599 TIMING: 3804600 CPU: 11886, 0.00312761/step Wall: 11886, 0.00312761/step, 1.03854 hours remaining, 237.402344 MB of memory in use. ENERGY: 3804600 3898.9653 20500.7851 14387.2622 241.6904 -203562.9972 2987.2978 0.0000 0.0000 52249.9432 -109297.0532 300.2811 -161546.9964 -108937.1121 299.2626 325.4315 352.0384 761811.6860 -1.6859 -1.6201 PRESSURE: 3804800 129.493 -72.5415 -65.6133 -72.5426 9.07632 -128.092 -65.6128 -128.093 67.1692 GPRESSURE: 3804800 129.02 -98.9475 -53.5262 -27.6297 13.8352 -98.3325 26.4628 -248.743 130.379 PRESSAVG: 3804800 -22.9019 -33.4457 6.18059 -33.4457 3.98449 52.8609 6.18061 52.8609 -10.3335 GPRESSAVG: 3804800 -21.6382 -32.7321 7.16388 -34.6229 2.7996 54.2345 4.43868 54.0443 -10.3757 TIMING: 3804800 CPU: 11886.6, 0.00312453/step Wall: 11886.6, 0.00312453/step, 1.03734 hours remaining, 237.402344 MB of memory in use. ENERGY: 3804800 3980.6427 20560.9726 14401.7888 249.9940 -203903.6096 3068.3601 0.0000 0.0000 52206.7607 -109435.0906 300.0330 -161641.8513 -109085.9757 299.2680 68.5796 91.0780 762129.8906 -9.7503 -9.7381 PRESSURE: 3805000 -428.29 140.005 -444.51 140.004 127.206 23.3975 -444.511 23.3975 -472.585 GPRESSURE: 3805000 -380.443 98.6472 -484.104 150.113 75.1537 17.8245 -314.414 16.3157 -403.077 PRESSAVG: 3805000 25.0339 -20.2903 22.3151 -20.2903 -12.6545 39.2926 22.315 39.2926 -6.85494 GPRESSAVG: 3805000 23.3906 -21.548 22.5768 -21.3913 -12.2794 40.799 22.6968 37.2622 -5.7749 TIMING: 3805000 CPU: 11887.2, 0.00311196/step Wall: 11887.2, 0.00311196/step, 1.033 hours remaining, 237.402344 MB of memory in use. ENERGY: 3805000 4042.4728 20603.2702 14458.0710 260.0594 -203320.4144 2708.5277 0.0000 0.0000 52047.2702 -109200.7430 299.1164 -161248.0132 -108852.5567 299.3483 -257.8896 -236.1222 762485.7584 1.8415 1.7788 PRESSURE: 3805200 242.295 -116.365 109.951 -116.364 242.788 49.1881 109.951 49.1875 216.303 GPRESSURE: 3805200 301.054 -182.99 153.39 -99.5477 241.909 21.047 101.842 196.539 238.924 PRESSAVG: 3805200 -34.6403 31.6267 -40.5923 31.6267 20.9655 30.0041 -40.5923 30.004 30.5409 GPRESSAVG: 3805200 -35.4679 31.3476 -41.0726 33.5364 22.1256 28.6914 -38.6194 31.5895 30.3213 TIMING: 3805200 CPU: 11887.8, 0.00311448/step Wall: 11887.8, 0.00311449/step, 1.03366 hours remaining, 237.402344 MB of memory in use. ENERGY: 3805200 3926.3043 20529.3270 14507.0910 223.8597 -203685.7837 2763.4158 0.0000 0.0000 52222.1270 -109513.6589 300.1213 -161735.7859 -109151.9875 299.6969 233.7954 260.6290 760915.2383 5.6220 5.6596 PRESSURE: 3805400 144.056 231.057 -87.828 231.056 -203.483 -75.7352 -87.8285 -75.7344 221.469 GPRESSURE: 3805400 231.734 88.9541 -101.86 194.804 -195.353 -128.629 -107.502 -14.0198 223.13 PRESSAVG: 3805400 15.6986 35.4663 21.2711 35.4663 -27.1466 10.7889 21.2711 10.7888 -8.23528 GPRESSAVG: 3805400 17.7498 37.5532 22.1029 34.5997 -27.8698 11.4767 19.7478 8.72847 -9.10026 TIMING: 3805400 CPU: 11888.5, 0.00312125/step Wall: 11888.5, 0.00312125/step, 1.03574 hours remaining, 237.402344 MB of memory in use. ENERGY: 3805400 3947.1359 20520.3543 14486.3547 235.7151 -203320.4766 2750.9069 0.0000 0.0000 51803.6075 -109576.4022 297.7160 -161380.0098 -109217.2250 298.9448 54.0142 86.5039 761817.3057 -6.5611 -6.4067 PRESSURE: 3805600 9.9289 -152.419 -35.9781 -152.419 -282.189 58.3772 -35.9785 58.3767 281.19 GPRESSURE: 3805600 51.2777 -50.3612 -80.5732 -145.916 -212.209 52.4682 -164.773 -46.9268 245.212 PRESSAVG: 3805600 -25.4701 -49.484 43.0495 -49.4841 58.5973 34.0517 43.0495 34.0517 2.03936 GPRESSAVG: 3805600 -26.9557 -49.5383 41.3903 -51.6143 58.644 34.0051 42.9526 34.1838 3.80888 TIMING: 3805600 CPU: 11889.1, 0.00310347/step Wall: 11889.1, 0.00310347/step, 1.02966 hours remaining, 237.402344 MB of memory in use. ENERGY: 3805600 3928.2471 20506.9354 14426.8289 221.9675 -203792.2291 2846.8819 0.0000 0.0000 52334.4994 -109526.8689 300.7671 -161861.3683 -109167.2163 298.4837 2.9768 28.0935 762893.9854 11.7222 11.8324 PRESSURE: 3805800 -77.0025 -29.2653 -10.3357 -29.2653 -234.887 -43.409 -10.336 -43.4097 -530.862 GPRESSURE: 3805800 -18.0709 -113.374 36.5634 -96.7322 -294.961 -58.6672 45.0489 -70.7012 -437.412 PRESSAVG: 3805800 -34.3092 16.9448 -9.17748 16.9447 9.61193 31.9295 -9.17749 31.9296 -3.02265 GPRESSAVG: 3805800 -34.1835 14.579 -7.04782 18.5009 10.568 32.3699 -10.6422 32.6178 -4.19827 TIMING: 3805800 CPU: 11889.7, 0.00310678/step Wall: 11889.7, 0.00310678/step, 1.03059 hours remaining, 237.402344 MB of memory in use. ENERGY: 3805800 4034.1207 20597.1966 14531.0081 250.5446 -203254.8036 2562.4866 0.0000 0.0000 51787.6135 -109491.8336 297.6241 -161279.4470 -109127.3697 299.1946 -280.9172 -250.1481 761809.7313 -9.2400 -9.2712 PRESSURE: 3806000 -71.2825 148.08 -47.8858 148.081 -267.194 101.761 -47.8862 101.761 22.4651 GPRESSURE: 3806000 -143.425 162.743 -4.84204 265.907 -180.476 -14.0409 -178.166 41.1089 79.2481 PRESSAVG: 3806000 17.6393 -37.0512 27.831 -37.0512 -0.627284 -52.0359 27.8311 -52.0359 12.0207 GPRESSAVG: 3806000 17.4957 -35.4443 25.7898 -34.6503 -0.980715 -53.9207 30.1582 -50.8256 12.5168 TIMING: 3806000 CPU: 11890.3, 0.00312921/step Wall: 11890.3, 0.00312921/step, 1.03786 hours remaining, 237.402344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3806000 4035.3714 20442.4491 14356.2448 225.8331 -203431.1208 2561.1697 0.0000 0.0000 52163.4220 -109646.6307 299.7839 -161810.0527 -109271.4722 299.2997 -105.3370 -81.5509 760498.8196 9.6775 9.6773 PRESSURE: 3806200 375.656 -35.339 62.6856 -35.3392 -87.2815 -235.588 62.6852 -235.587 63.5194 GPRESSURE: 3806200 319.929 -116.337 -16.9366 -131.157 100.201 -229.133 53.0135 -304.54 27.8125 PRESSAVG: 3806200 10.691 -3.13434 -17.8728 -3.13433 -22.8808 23.4928 -17.8729 23.4928 -2.9273 GPRESSAVG: 3806200 11.9286 -4.49886 -17.2125 -4.94302 -23.1599 24.1797 -18.2472 21.5707 -3.4844 TIMING: 3806200 CPU: 11891, 0.00312324/step Wall: 11891, 0.00312324/step, 1.0357 hours remaining, 237.402344 MB of memory in use. ENERGY: 3806200 3973.2280 20562.6157 14479.4985 264.6376 -203617.4431 2653.2883 0.0000 0.0000 52133.2696 -109550.9054 299.6106 -161684.1750 -109186.2196 299.3229 117.2980 149.3142 759301.4485 -5.0390 -4.9052 PRESSURE: 3806400 -80.3581 -50.9266 94.4717 -50.9253 105.041 40.1251 94.4723 40.1254 -576.334 GPRESSURE: 3806400 -18.8406 -82.7677 20.1371 29.7343 90.1811 162.665 57.8356 72.335 -555.423 PRESSAVG: 3806400 -5.31824 1.05006 -21.8824 1.05005 -18.9041 14.2062 -21.8823 14.2061 -11.8233 GPRESSAVG: 3806400 -5.85317 2.02731 -23.054 1.16693 -18.6964 15.9645 -21.6109 15.5893 -11.6397 TIMING: 3806400 CPU: 11891.6, 0.00311057/step Wall: 11891.6, 0.00311058/step, 1.03133 hours remaining, 237.402344 MB of memory in use. ENERGY: 3806400 3989.1699 20622.1978 14388.1330 244.6913 -203031.7054 2427.5206 0.0000 0.0000 52074.6883 -109285.3045 299.2739 -161359.9928 -108920.4328 299.5027 -183.8837 -161.3609 762135.4221 -12.0152 -12.0631 PRESSURE: 3806600 -288.716 -25.2142 66.618 -25.214 -117.034 25.8884 66.6184 25.8882 424.612 GPRESSURE: 3806600 -228.141 -36.2565 99.975 -69.585 24.7395 9.72444 76.9029 16.4139 303.986 PRESSAVG: 3806600 -69.5141 -87.9169 5.15529 -87.917 40.4808 -25.1606 5.15532 -25.1606 5.94379 GPRESSAVG: 3806600 -67.3119 -86.8878 6.61659 -88.2997 38.667 -27.3316 4.33713 -23.4307 5.67987 TIMING: 3806600 CPU: 11892.2, 0.00310916/step Wall: 11892.2, 0.00310916/step, 1.03069 hours remaining, 237.402344 MB of memory in use. ENERGY: 3806600 4019.9559 20606.9513 14408.8907 256.5258 -203518.1035 2830.2019 0.0000 0.0000 51984.2873 -109411.2906 298.7544 -161395.5779 -109061.8672 299.2947 6.2874 33.5280 763335.3197 -7.6965 -7.6550 PRESSURE: 3806800 -429.041 -25.7421 -143.371 -25.7429 -95.66 -56.092 -143.372 -56.0917 111.703 GPRESSURE: 3806800 -391.107 -11.491 -110.576 -66.2129 -64.098 -116.763 -89.2344 -52.7771 118.874 PRESSAVG: 3806800 -20.1154 -72.4341 6.88261 -72.434 -12.7806 -31.9713 6.88262 -31.9713 3.66674 GPRESSAVG: 3806800 -20.0477 -74.9772 7.92733 -69.7529 -13.0692 -31.4485 5.42066 -34.2559 3.76039 TIMING: 3806800 CPU: 11892.8, 0.00313695/step Wall: 11892.8, 0.00313695/step, 1.03973 hours remaining, 237.402344 MB of memory in use. ENERGY: 3806800 3973.7179 20519.3751 14394.0035 239.1922 -203295.2317 2672.3750 0.0000 0.0000 51928.3669 -109568.2012 298.4330 -161496.5681 -109210.7558 298.6341 -137.6658 -112.1102 763280.5760 -9.7431 -9.7855 PRESSURE: 3807000 -254.605 119.608 82.931 119.608 -163.324 -116.838 82.9302 -116.838 -31.9531 GPRESSURE: 3807000 -250.4 134.75 -53.948 111.038 -116.948 -97.0898 -31.2291 -72.795 -1.61132 PRESSAVG: 3807000 -68.9068 8.14118 37.3135 8.14117 77.2263 -26.395 37.3134 -26.395 -6.86951 GPRESSAVG: 3807000 -70.4325 6.96286 35.7765 6.9504 78.8842 -25.7923 39.2564 -25.6242 -7.59172 TIMING: 3807000 CPU: 11893.5, 0.00312741/step Wall: 11893.5, 0.00312741/step, 1.03639 hours remaining, 237.402344 MB of memory in use. ENERGY: 3807000 4058.5079 20505.2891 14461.7140 249.3880 -203382.4121 2748.4716 0.0000 0.0000 51976.3770 -109382.6645 298.7090 -161359.0415 -109020.3466 299.1206 -149.9606 -122.9864 762427.1110 0.4833 0.2867 PRESSURE: 3807200 176.707 -214.025 -122.576 -214.024 114.318 107.146 -122.577 107.146 -112.385 GPRESSURE: 3807200 213.289 -231.315 -67.5503 -44.9793 140.081 89.0489 -210.395 30.9134 -89.1551 PRESSAVG: 3807200 16.7073 11.5882 -34.4628 11.5882 11.3727 12.6828 -34.4628 12.6828 32.6271 GPRESSAVG: 3807200 15.9347 13.9749 -33.1771 11.4761 10.1398 14.2259 -34.7723 12.5533 34.8125 TIMING: 3807200 CPU: 11894.1, 0.00313186/step Wall: 11894.1, 0.00313186/step, 1.03769 hours remaining, 237.402344 MB of memory in use. ENERGY: 3807200 4011.6513 20571.8552 14489.0291 236.9514 -203615.7981 2774.2240 0.0000 0.0000 52192.8908 -109339.1963 299.9533 -161532.0871 -108980.6810 299.2392 59.5466 88.0717 761820.4841 20.2357 20.2957 PRESSURE: 3807400 58.6193 -164.526 -63.1593 -164.526 -274.493 119.021 -63.1606 119.022 -106.144 GPRESSURE: 3807400 78.0455 -97.9743 -1.88635 -50.2396 -146.438 96.3621 -71.9922 162.495 -146.799 PRESSAVG: 3807400 -24.6548 -33.2062 -8.05788 -33.2062 2.9302 51.3347 -8.05785 51.3348 -3.82591 GPRESSAVG: 3807400 -22.6999 -33.7029 -9.88292 -33.9589 3.56604 49.5524 -9.043 52.3781 -6.4214 TIMING: 3807400 CPU: 11894.7, 0.00313441/step Wall: 11894.7, 0.00313441/step, 1.03836 hours remaining, 237.402344 MB of memory in use. ENERGY: 3807400 3974.0109 20475.5870 14422.2584 247.2197 -203369.4872 2741.2856 0.0000 0.0000 52160.4669 -109348.6586 299.7669 -161509.1255 -108994.0446 299.3676 -107.3390 -71.7303 764148.9182 -8.5168 -8.5184 PRESSURE: 3807600 25.6024 -123.534 176.49 -123.533 -89.6115 91.5553 176.491 91.5553 -75.6866 GPRESSURE: 3807600 -71.9965 -172.838 174.857 -51.6302 24.9779 163.171 201.295 61.3446 -8.71299 PRESSAVG: 3807600 24.998 -7.55163 29.0662 -7.55159 -2.24339 25.3202 29.0663 25.3201 0.561601 GPRESSAVG: 3807600 24.3767 -7.09051 29.5429 -8.30621 -2.46795 24.3548 30.4481 24.3309 1.56932 TIMING: 3807600 CPU: 11895.3, 0.00312982/step Wall: 11895.3, 0.00312982/step, 1.03667 hours remaining, 237.402344 MB of memory in use. ENERGY: 3807600 4059.2339 20677.9438 14482.2085 230.1250 -203551.7866 2797.5179 0.0000 0.0000 52028.9098 -109275.8477 299.0109 -161304.7575 -108915.0593 299.5517 -46.5652 -18.5772 762150.8188 7.7721 7.8260 PRESSURE: 3807800 -247.537 -135.738 -13.1575 -135.738 -202.533 -47.6161 -13.1587 -47.6159 -210.325 GPRESSURE: 3807800 -165.243 -49.5017 -67.4068 -136.514 -155.932 -91.1274 -140.443 -167.965 -275.507 PRESSAVG: 3807800 15.1181 -69.8669 30.3119 -69.8669 -20.4549 -1.02622 30.3118 -1.02622 5.43259 GPRESSAVG: 3807800 16.3639 -70.0722 29.7029 -67.738 -22.0274 0.83105 30.1897 -1.84274 5.05452 TIMING: 3807800 CPU: 11896, 0.0031318/step Wall: 11896, 0.0031318/step, 1.03715 hours remaining, 237.402344 MB of memory in use. ENERGY: 3807800 4079.2530 20594.9325 14435.5108 251.1804 -203408.0746 2644.5126 0.0000 0.0000 52177.8360 -109224.8493 299.8667 -161402.6852 -108855.5061 299.7478 -220.1318 -198.8941 764098.6287 0.0319 -0.2030 PRESSURE: 3808000 99.9816 -61.4136 -71.8599 -61.4149 -214.246 -247.457 -71.8613 -247.457 -346.82 GPRESSURE: 3808000 104.008 -67.9108 -9.50837 72.6893 -155.822 -247.637 -39.8547 -129.212 -342.903 PRESSAVG: 3808000 28.1627 -61.2645 17.2332 -61.2645 -53.2806 -38.4296 17.2332 -38.4295 -6.75121 GPRESSAVG: 3808000 26.4656 -62.6245 17.7135 -60.8359 -51.4004 -38.4027 18.4366 -37.1666 -7.36166 TIMING: 3808000 CPU: 11896.6, 0.00314061/step Wall: 11896.6, 0.00314061/step, 1.03989 hours remaining, 237.402344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3808000 4077.2102 20613.1684 14398.4561 264.4878 -203638.9027 2865.5043 0.0000 0.0000 52229.2117 -109190.8642 300.1620 -161420.0758 -108837.7654 299.5699 -153.6947 -131.5725 760676.3965 -10.6230 -10.7655 PRESSURE: 3808200 -133.958 92.841 -52.6339 92.8414 -248.531 -2.99415 -52.6338 -2.99484 -138.177 GPRESSURE: 3808200 -105.554 55.6884 -4.70515 159.601 -277.932 -24.1234 -153.627 42.0187 -58.9009 PRESSAVG: 3808200 -14.0965 -11.9235 -21.4927 -11.9235 39.4035 -21.3207 -21.4927 -21.3208 23.0023 GPRESSAVG: 3808200 -13.6283 -11.6051 -20.3139 -12.8982 38.5929 -20.6573 -23.4171 -21.9304 23.9295 TIMING: 3808200 CPU: 11897.2, 0.00311503/step Wall: 11897.2, 0.00311503/step, 1.03125 hours remaining, 237.402344 MB of memory in use. ENERGY: 3808200 4055.2038 20597.3141 14427.7044 240.3844 -202680.7083 2290.5945 0.0000 0.0000 52014.3032 -109055.2037 298.9269 -161069.5070 -108693.4437 299.8186 -173.5555 -147.4622 762365.8496 16.1031 16.2980 LDB: ============= START OF LOAD BALANCING ============== 11909.7 LDB: ============== END OF LOAD BALANCING =============== 11909.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11909.7 LDB: ============= START OF LOAD BALANCING ============== 11910 LDB: Largest compute 6998 load 0.029606 is 15.2% of average load 0.195305 LDB: Average compute 0.004381 is 2.2% of average load 0.195305 LDB: TIME 11910 LOAD: AVG 0.195305 MAX 0.212791 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.172 MB LDB: TIME 11910 LOAD: AVG 0.195305 MAX 0.212791 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.172 MB LDB: TIME 11910 LOAD: AVG 0.195305 MAX 0.212791 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.172 MB LDB: ============== END OF LOAD BALANCING =============== 11910 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11910 PRESSURE: 3808400 -35.8441 -103.211 199.181 -103.212 -360.702 237.967 199.181 237.967 -151.546 GPRESSURE: 3808400 -25.4105 14.2141 262.447 -234.747 -314.025 209.494 148.95 170.186 -123.744 PRESSAVG: 3808400 62.7693 -41.5645 -5.31705 -41.5645 -39.2549 2.55455 -5.31699 2.55446 7.58868 GPRESSAVG: 3808400 63.1237 -39.0766 -7.11497 -45.0997 -37.8416 1.50526 -3.67331 2.87697 5.7723 TIMING: 3808400 CPU: 11897.9, 0.00320763/step Wall: 11897.9, 0.00320764/step, 1.06173 hours remaining, 234.058594 MB of memory in use. ENERGY: 3808400 3972.5911 20731.1428 14384.8422 240.5410 -202886.5402 2495.2930 0.0000 0.0000 52010.1511 -109051.9791 298.9031 -161062.1302 -108683.3891 299.8169 -182.6974 -154.3931 762518.0840 10.3677 10.3515 PRESSURE: 3808600 216.386 -406.23 -310.109 -406.23 232.121 -250.694 -310.109 -250.693 -71.9589 GPRESSURE: 3808600 258.622 -256.977 -325.516 -344.234 297.648 -245.669 -269.437 -206.143 -87.9334 PRESSAVG: 3808600 35.1882 -72.5659 -33.3346 -72.566 3.84174 21.7931 -33.3346 21.7931 -1.00882 GPRESSAVG: 3808600 35.6884 -75.594 -33.4991 -69.3724 2.15511 20.6651 -33.0782 20.9685 0.126522 TIMING: 3808600 CPU: 11898.5, 0.0031154/step Wall: 11898.5, 0.0031154/step, 1.03102 hours remaining, 234.058594 MB of memory in use. ENERGY: 3808600 3962.6224 20480.1116 14466.1339 247.8187 -203514.3349 3043.9915 0.0000 0.0000 52150.8828 -109162.7740 299.7118 -161313.6567 -108805.0270 299.6423 125.5161 156.1122 762040.6728 12.6737 12.6567 PRESSURE: 3808800 -84.308 -242.8 256.624 -242.8 21.8528 -61.8571 256.625 -61.8573 -95.9484 GPRESSURE: 3808800 -109.687 -182.334 174.306 -168.65 47.7663 -47.5245 252.036 29.2247 -12.9667 PRESSAVG: 3808800 27.501 -61.3343 12.5776 -61.3342 -29.151 -4.81349 12.5776 -4.81347 -5.68371 GPRESSAVG: 3808800 27.036 -57.374 13.6721 -62.5999 -29.5302 -4.50297 10.4617 -2.54445 -4.55159 TIMING: 3808800 CPU: 11899.1, 0.00313302/step Wall: 11899.1, 0.00313302/step, 1.03668 hours remaining, 234.320312 MB of memory in use. ENERGY: 3808800 3990.8050 20665.6231 14462.0278 257.9441 -202976.9829 2654.0313 0.0000 0.0000 52134.7243 -108811.8272 299.6190 -160946.5516 -108449.0797 299.8687 -52.8012 -24.9624 763925.7862 -2.4445 -2.3486 PRESSURE: 3809000 -273.811 -73.6098 -217.049 -73.6112 -214.628 -117.964 -217.049 -117.963 -57.3604 GPRESSURE: 3809000 -248.872 -171.924 -203.824 -124.95 -156.656 -98.1358 -221.02 -27.6329 -45.2816 PRESSAVG: 3809000 5.82029 -57.5672 -41.8781 -57.5673 -2.97761 41.4402 -41.8781 41.4403 4.80429 GPRESSAVG: 3809000 6.18186 -61.3061 -42.3165 -56.7519 -2.72497 40.8115 -39.5774 40.6825 3.97666 TIMING: 3809000 CPU: 11899.7, 0.00314753/step Wall: 11899.7, 0.00314753/step, 1.04131 hours remaining, 234.320312 MB of memory in use. ENERGY: 3809000 4029.8465 20567.7434 14448.7788 232.0424 -202618.5122 2142.8036 0.0000 0.0000 52094.7507 -109102.5468 299.3892 -161197.2975 -108737.9696 300.1427 -181.9331 -150.2698 765202.4430 2.5490 2.4779 PRESSURE: 3809200 -124.445 20.7602 72.7727 20.7601 -28.5778 -49.002 72.7734 -49.0026 -256.733 GPRESSURE: 3809200 -47.1636 103.061 87.3111 -24.89 -34.5568 -98.8648 80.3309 -72.7377 -249.026 PRESSAVG: 3809200 -3.0571 -24.2791 -23.6906 -24.2791 -10.6356 -6.16701 -23.6906 -6.16707 -4.48681 GPRESSAVG: 3809200 -4.44578 -23.217 -23.808 -23.3642 -8.33836 -4.31383 -26.5798 -6.801 -4.81009 TIMING: 3809200 CPU: 11900.4, 0.00312637/step Wall: 11900.4, 0.00312637/step, 1.03413 hours remaining, 234.320312 MB of memory in use. ENERGY: 3809200 4006.5869 20452.6430 14453.3023 251.7905 -203474.8903 3006.5589 0.0000 0.0000 52123.9713 -109180.0375 299.5572 -161304.0088 -108824.8578 299.3226 -136.5852 -110.2489 764124.8638 -6.0598 -5.8647 PRESSURE: 3809400 -171.373 -56.3314 -164.379 -56.3315 173.711 134.512 -164.378 134.511 393.924 GPRESSURE: 3809400 -212.829 -134.26 -202.851 -105.635 208.768 182.194 -141.5 64.5857 482.769 PRESSAVG: 3809400 -45.8704 -31.564 10.3062 -31.564 28.6362 -44.7544 10.3063 -44.7544 -17.2484 GPRESSAVG: 3809400 -44.9594 -31.8405 9.60675 -33.8568 27.4815 -44.4916 12.4095 -46.1076 -17.2769 TIMING: 3809400 CPU: 11901, 0.00313346/step Wall: 11901, 0.00313346/step, 1.0363 hours remaining, 234.320312 MB of memory in use. ENERGY: 3809400 3874.7296 20495.1899 14522.5536 231.7442 -203023.5434 2743.1956 0.0000 0.0000 52218.1868 -108937.9438 300.0986 -161156.1306 -108565.5230 300.2720 132.0874 159.5694 764146.6496 -11.4942 -11.5849 PRESSURE: 3809600 -37.0537 58.0796 -107.054 58.0801 -169.779 -40.6933 -107.055 -40.6932 327.362 GPRESSURE: 3809600 49.3135 -23.3303 -64.0753 55.8205 -226.301 -12.61 -25.7052 -64.1898 383.394 PRESSAVG: 3809600 26.9767 -58.139 6.77439 -58.139 12.5798 -7.89153 6.77435 -7.89147 13.1612 GPRESSAVG: 3809600 25.6305 -57.9568 6.00745 -56.9413 13.0543 -10.2229 8.01902 -6.9203 13.8504 TIMING: 3809600 CPU: 11901.6, 0.00313203/step Wall: 11901.6, 0.00313203/step, 1.03566 hours remaining, 234.320312 MB of memory in use. ENERGY: 3809600 3920.0713 20379.3719 14506.1731 258.0996 -203236.4412 3092.8282 0.0000 0.0000 52214.5634 -108865.3336 300.0778 -161079.8970 -108501.6911 300.1323 40.1763 68.8021 765603.5487 17.5726 17.5117 PRESSURE: 3809800 -286.156 278.862 17.298 278.862 -72.8377 136.237 17.2981 136.237 5.45311 GPRESSURE: 3809800 -319.788 327.726 65.095 281.991 -30.43 168.781 -51.6896 84.6054 82.3947 PRESSAVG: 3809800 -14.7507 -34.4366 2.54531 -34.4366 -20.3343 26.4536 2.54532 26.4536 0.0596542 GPRESSAVG: 3809800 -13.2803 -33.7987 3.87365 -35.8518 -20.7025 27.5668 2.18414 26.3579 -0.812081 TIMING: 3809800 CPU: 11902.2, 0.00310964/step Wall: 11902.2, 0.00310964/step, 1.02808 hours remaining, 234.320312 MB of memory in use. ENERGY: 3809800 3966.3109 20435.7355 14481.7319 239.9781 -203117.0502 2957.0470 0.0000 0.0000 52266.0721 -108770.1748 300.3738 -161036.2468 -108401.2893 300.1088 -117.8468 -89.2744 764834.3495 -11.6751 -11.5983 PRESSURE: 3810000 119.898 29.9305 8.62168 29.9311 127.372 -136.499 8.62113 -136.499 -315.834 GPRESSURE: 3810000 160.586 -0.362417 26.556 -5.21481 60.834 -64.679 -32.8882 -209.883 -225.468 PRESSAVG: 3810000 -19.1771 18.4206 64.2136 18.4207 55.8699 14.4423 64.2136 14.4423 -20.3992 GPRESSAVG: 3810000 -19.317 17.7312 64.7222 19.5733 55.835 13.931 61.3242 15.8258 -20.4767 TIMING: 3810000 CPU: 11902.9, 0.00311477/step Wall: 11902.9, 0.00311477/step, 1.02961 hours remaining, 234.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3810000 4021.6615 20529.2282 14367.8789 249.4645 -203462.3621 2948.4254 0.0000 0.0000 52360.3662 -108985.3374 300.9157 -161345.7035 -108616.6049 300.0782 -22.8544 -1.3496 764081.6044 5.4312 5.3471 PRESSURE: 3810200 47.3342 119.682 -22.2546 119.681 -21.1062 117.491 -22.2543 117.49 19.6535 GPRESSURE: 3810200 140.52 94.8589 -15.5906 147.279 -48.2629 90.9481 -74.9365 160.794 34.5921 PRESSAVG: 3810200 -29.927 2.58625 -28.5431 2.58627 12.2151 4.3548 -28.5431 4.35482 28.5482 GPRESSAVG: 3810200 -29.2753 1.44552 -29.7598 4.43102 10.8722 4.51079 -27.4661 3.24112 28.9199 TIMING: 3810200 CPU: 11903.5, 0.00311284/step Wall: 11903.5, 0.00311284/step, 1.02879 hours remaining, 234.320312 MB of memory in use. ENERGY: 3810200 4006.2489 20394.6403 14438.2464 252.6171 -203067.4915 2886.3663 0.0000 0.0000 52186.1189 -108903.2536 299.9143 -161089.3725 -108521.9799 300.1737 15.2938 42.2831 764207.9652 3.6121 3.5056 PRESSURE: 3810400 83.2949 -87.9396 85.9187 -87.9395 9.86335 9.46784 85.9181 9.46884 -210.449 GPRESSURE: 3810400 10.4873 -51.8654 143.372 -96.2444 170.66 107.522 120.998 -34.231 -207.051 PRESSAVG: 3810400 -24.5474 53.9346 35.8582 53.9346 -25.0114 -22.8264 35.8581 -22.8263 6.16516 GPRESSAVG: 3810400 -24.96 51.5351 37.233 53.9032 -23.3818 -22.3448 35.6657 -23.0376 5.31086 TIMING: 3810400 CPU: 11904.1, 0.0031356/step Wall: 11904.1, 0.0031356/step, 1.03614 hours remaining, 234.320312 MB of memory in use. ENERGY: 3810400 3964.8260 20729.4002 14422.6811 236.9627 -203308.4779 2703.8138 0.0000 0.0000 52273.5318 -108977.2624 300.4167 -161250.7942 -108621.7405 300.3722 -39.0970 -8.6348 762048.3932 -14.4645 -14.3436 PRESSURE: 3810600 -359.72 -64.0043 -63.3918 -64.0054 4.87424 -16.932 -63.3926 -16.9322 -175.769 GPRESSURE: 3810600 -306.275 11.284 -136.956 -49.381 40.8696 34.9 29.4549 -94.1477 -176.375 PRESSAVG: 3810600 29.2972 41.8111 3.37486 41.8111 10.8066 4.86794 3.37482 4.86787 -5.62303 GPRESSAVG: 3810600 28.27 45.5826 2.18865 38.9128 11.0335 5.60224 4.09563 5.58088 -5.03255 TIMING: 3810600 CPU: 11904.7, 0.00311304/step Wall: 11904.7, 0.00311304/step, 1.02851 hours remaining, 234.320312 MB of memory in use. ENERGY: 3810600 4010.7811 20705.3823 14495.7206 255.6013 -203430.6553 2673.3414 0.0000 0.0000 52238.0593 -109051.7692 300.2128 -161289.8285 -108699.5210 300.4738 -176.8716 -147.2601 761418.3265 11.4936 11.4237 PRESSURE: 3810800 -179.121 5.52349 -199.157 5.52431 46.1759 -53.0424 -199.158 -53.0426 -263.183 GPRESSURE: 3810800 -108.399 45.6843 -275.94 42.6615 38.0529 -43.5003 -187.664 31.7998 -239.703 PRESSAVG: 3810800 3.68098 11.285 -15.6395 11.285 -3.6266 1.89383 -15.6395 1.89386 -0.219655 GPRESSAVG: 3810800 5.06248 11.5337 -13.5137 11.8213 -4.5758 1.92524 -15.9412 2.44104 -1.34121 TIMING: 3810800 CPU: 11905.4, 0.00314071/step Wall: 11905.4, 0.00314071/step, 1.03748 hours remaining, 234.320312 MB of memory in use. ENERGY: 3810800 4090.0043 20433.3166 14405.5233 236.8729 -203136.0073 2494.8818 0.0000 0.0000 52327.8460 -109147.5625 300.7289 -161475.4084 -108787.8145 299.7896 -132.0429 -103.3495 762256.5264 -0.0551 -0.2848 PRESSURE: 3811000 -154.999 -62.3862 -50.5172 -62.3851 -299.911 -291.744 -50.5179 -291.744 -3.80979 GPRESSURE: 3811000 -126.27 -104.043 12.95 -57.1803 -222.451 -275.51 -87.149 -278.778 -10.5643 PRESSAVG: 3811000 8.25432 -2.91628 -9.29873 -2.91623 44.1329 -23.0586 -9.29882 -23.0585 -12.7787 GPRESSAVG: 3811000 7.12875 -3.66582 -10.0739 -2.81871 44.5333 -24.6237 -9.23334 -23.1819 -11.5339 TIMING: 3811000 CPU: 11906, 0.00314085/step Wall: 11906, 0.00314085/step, 1.03735 hours remaining, 234.320312 MB of memory in use. ENERGY: 3811000 4044.2810 20689.9849 14342.7759 261.1600 -202911.1275 2493.8649 0.0000 0.0000 52213.6368 -108865.4241 300.0725 -161079.0609 -108497.1187 300.0765 -152.9066 -119.7617 762315.4056 13.2028 13.3760 PRESSURE: 3811200 -27.8754 -19.6548 352.415 -19.6554 -65.1529 -60.0726 352.414 -60.0724 67.3731 GPRESSURE: 3811200 44.6406 -81.6785 312.802 -21.2889 13.354 -135.286 311.481 -39.9524 1.91967 PRESSAVG: 3811200 -6.87534 -30.0043 -4.77546 -30.0042 -21.8912 -4.70082 -4.7754 -4.70075 -25.2604 GPRESSAVG: 3811200 -6.27241 -29.263 -5.56295 -28.2999 -21.7597 -4.30708 -4.58541 -5.49956 -26.0537 TIMING: 3811200 CPU: 11906.6, 0.00314753/step Wall: 11906.6, 0.00314753/step, 1.03938 hours remaining, 234.320312 MB of memory in use. ENERGY: 3811200 4039.5385 20667.9643 14472.0168 274.9610 -203386.1162 2825.5242 0.0000 0.0000 52386.0764 -108720.0351 301.0635 -161106.1116 -108358.8905 300.5560 -8.5517 19.9714 762316.9572 -18.0090 -18.0286 PRESSURE: 3811400 -102.771 71.7978 28.9475 71.7995 15.5527 -246.841 28.948 -246.841 -81.2562 GPRESSURE: 3811400 -50.4669 -100.535 58.3105 -73.7895 -1.27566 -235.021 33.0963 -122.947 -38.1972 PRESSAVG: 3811400 57.7195 -80.9595 -15.1721 -80.9595 -53.9686 -41.1003 -15.1721 -41.1004 4.46642 GPRESSAVG: 3811400 58.5941 -81.9299 -14.3857 -81.1131 -55.7783 -41.5954 -13.4993 -40.6384 5.21359 TIMING: 3811400 CPU: 11907.2, 0.00314393/step Wall: 11907.2, 0.00314393/step, 1.03802 hours remaining, 234.320312 MB of memory in use. ENERGY: 3811400 4020.4285 20674.3381 14498.7393 240.8789 -202820.9629 2484.9273 0.0000 0.0000 52239.9834 -108661.6675 300.2239 -160901.6508 -108294.7888 300.4203 -56.1582 -29.9799 762538.1874 2.7391 2.6765 PRESSURE: 3811600 81.7527 -29.6778 -82.9975 -29.6772 -490.362 -35.2143 -82.997 -35.2145 -254.904 GPRESSURE: 3811600 18.9664 -48.6641 5.34606 -30.4735 -309.772 -68.3079 -68.6873 33.0014 -304.476 PRESSAVG: 3811600 8.11864 -41.1424 -10.4299 -41.1425 13.5654 -11.6396 -10.43 -11.6395 -17.3652 GPRESSAVG: 3811600 7.97514 -41.4583 -9.59215 -41.917 14.9907 -11.187 -11.9704 -12.0974 -18.3215 TIMING: 3811600 CPU: 11907.9, 0.00314689/step Wall: 11907.9, 0.00314689/step, 1.03882 hours remaining, 234.320312 MB of memory in use. ENERGY: 3811600 3959.7219 20746.2463 14425.1553 251.8764 -203029.7173 2480.6975 0.0000 0.0000 52361.9269 -108804.0930 300.9247 -161166.0199 -108448.9106 300.0539 -221.1711 -198.4275 764263.3086 1.4396 1.5481 PRESSURE: 3811800 -320.955 46.3031 -49.2992 46.3034 -382.24 62.2559 -49.2993 62.2567 -177.245 GPRESSURE: 3811800 -239.474 86.5852 -67.183 63.5169 -328.549 46.2607 30.3757 42.7524 -197.448 PRESSAVG: 3811800 -15.8479 16.5294 -18.0195 16.5293 1.40506 25.9554 -18.0195 25.9554 1.79855 GPRESSAVG: 3811800 -16.4594 16.8876 -19.9255 16.509 1.1299 24.7478 -17.7492 26.4799 2.87679 TIMING: 3811800 CPU: 11908.5, 0.00312894/step Wall: 11908.5, 0.00312894/step, 1.03272 hours remaining, 234.320312 MB of memory in use. ENERGY: 3811800 4011.8211 20481.1799 14439.8059 258.8310 -203138.2413 2807.7093 0.0000 0.0000 52277.4131 -108861.4810 300.4390 -161138.8941 -108485.8482 300.6048 -293.4797 -255.1571 763265.3480 -4.2148 -4.1509 PRESSURE: 3812000 -167.366 -19.7538 109.096 -19.7546 -228.07 -293.911 109.095 -293.912 -303.875 GPRESSURE: 3812000 -178.136 48.4355 151.694 -48.9577 -118.101 -269.807 -19.0673 -167.124 -315.329 PRESSAVG: 3812000 -0.795901 -30.8053 -4.26931 -30.8053 -26.1473 2.93986 -4.26929 2.93989 2.74322 GPRESSAVG: 3812000 1.17077 -30.8 -3.8756 -29.3241 -27.4339 3.66505 -2.81028 1.05414 2.22635 TIMING: 3812000 CPU: 11909.1, 0.00315625/step Wall: 11909.1, 0.00315625/step, 1.04156 hours remaining, 234.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3812000 3980.3944 20619.3346 14427.0728 246.0686 -202831.3980 2475.1489 0.0000 0.0000 52340.2486 -108743.1301 300.8001 -161083.3787 -108377.3128 300.5789 -233.1038 -203.8556 764470.4049 -8.0666 -8.0123 PRESSURE: 3812200 279.294 49.4486 38.2717 49.4484 -125.385 22.3615 38.2715 22.3612 -79.8805 GPRESSURE: 3812200 306.028 22.3677 88.3944 140.451 -58.4977 91.5679 45.1407 -15.841 -71.1106 PRESSAVG: 3812200 -16.9136 11.6804 18.1889 11.6804 51.905 -29.7501 18.1889 -29.7502 2.42538 GPRESSAVG: 3812200 -19.1295 10.6946 18.2146 12.4434 52.9781 -29.9582 16.5347 -28.4254 3.20519 TIMING: 3812200 CPU: 11909.8, 0.00313995/step Wall: 11909.8, 0.00313995/step, 1.03601 hours remaining, 234.320312 MB of memory in use. ENERGY: 3812200 4009.6623 20692.0171 14370.6512 244.2903 -202753.9193 2625.7234 0.0000 0.0000 52172.7255 -108638.8495 299.8374 -160811.5751 -108281.3364 300.3681 24.6760 58.8066 764015.2218 12.4723 12.3513 LDB: ============= START OF LOAD BALANCING ============== 11922.2 LDB: ============== END OF LOAD BALANCING =============== 11922.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11922.2 LDB: ============= START OF LOAD BALANCING ============== 11922.6 LDB: Largest compute 7077 load 0.029753 is 15.2% of average load 0.195266 LDB: Average compute 0.004384 is 2.2% of average load 0.195266 LDB: TIME 11922.6 LOAD: AVG 0.195266 MAX 0.214364 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.25 MB LDB: TIME 11922.6 LOAD: AVG 0.195266 MAX 0.214364 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.344 MB LDB: TIME 11922.6 LOAD: AVG 0.195266 MAX 0.214364 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.344 MB LDB: ============== END OF LOAD BALANCING =============== 11922.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11922.6 PRESSURE: 3812400 -312.706 -209.635 -65.9794 -209.635 188.886 175.209 -65.9802 175.21 -4.83534 GPRESSURE: 3812400 -204.93 -193.127 -71.1279 -157.739 135.937 277.81 4.9887 56.3111 17.9738 PRESSAVG: 3812400 4.00557 -39.813 7.95586 -39.813 -5.89476 40.614 7.95583 40.614 -4.24054 GPRESSAVG: 3812400 4.85986 -39.4811 9.14932 -39.814 -5.67779 41.4448 10.1589 39.5875 -5.49898 TIMING: 3812400 CPU: 11910.4, 0.00320973/step Wall: 11910.4, 0.00320973/step, 1.05885 hours remaining, 234.316406 MB of memory in use. ENERGY: 3812400 4076.4825 20689.6757 14453.3501 238.8853 -203010.8070 2633.6677 0.0000 0.0000 52458.7772 -108459.9685 301.4813 -160918.7457 -108102.4020 301.2045 -42.8849 -17.0064 763925.7554 -2.0432 -2.1056 PRESSURE: 3812600 283.512 216.637 -4.68694 216.638 -72.1539 26.4021 -4.68672 26.4025 406.673 GPRESSURE: 3812600 382.824 164.554 7.94826 189.497 -114.937 -4.56259 -78.0613 -18.2429 426.862 PRESSAVG: 3812600 17.5058 19.3037 -7.09224 19.3037 -26.9801 30.0576 -7.09229 30.0575 8.69373 GPRESSAVG: 3812600 18.2755 18.8633 -6.31847 18.6333 -27.2743 30.4971 -10.6261 30.1613 7.96207 TIMING: 3812600 CPU: 11911, 0.00315566/step Wall: 11911, 0.00315566/step, 1.04084 hours remaining, 234.316406 MB of memory in use. ENERGY: 3812600 3990.4505 20680.3406 14435.4056 244.2717 -202933.2137 2650.0740 0.0000 0.0000 52349.0996 -108583.5717 300.8510 -160932.6713 -108224.4974 301.0856 206.0104 231.5828 762208.4699 -0.2602 -0.3456 PRESSURE: 3812800 60.3629 112.752 9.99305 112.751 -186.483 -152.824 9.9919 -152.824 119.888 GPRESSURE: 3812800 105.628 75.6582 52.252 65.1011 -217.933 -169.766 68.5668 -11.0845 179.699 PRESSAVG: 3812800 81.5982 5.23936 -39.9667 5.23936 -1.63416 -10.8297 -39.9667 -10.8298 22.3893 GPRESSAVG: 3812800 81.0931 6.56223 -42.466 3.4707 -3.17309 -11.0971 -37.719 -9.32265 23.954 TIMING: 3812800 CPU: 11911.7, 0.00314469/step Wall: 11911.7, 0.00314469/step, 1.03705 hours remaining, 234.589844 MB of memory in use. ENERGY: 3812800 4011.4952 20647.5062 14413.7749 255.3759 -203189.0429 2811.8058 0.0000 0.0000 52528.5333 -108520.5516 301.8822 -161049.0850 -108167.0183 301.0390 -2.0773 22.4648 762783.7957 34.1178 33.9580 PRESSURE: 3813000 54.5864 -43.8605 -32.2439 -43.8599 -156.981 280.391 -32.2448 280.39 60.3778 GPRESSURE: 3813000 67.9724 -118.033 -22.8803 -152.294 -10.0423 254.452 32.8174 214.252 -11.9105 PRESSAVG: 3813000 -16.5462 -20.0949 9.423 -20.0948 39.6748 61.6838 9.42299 61.6839 9.9277 GPRESSAVG: 3813000 -16.1505 -19.8854 11.6054 -19.6763 41.608 62.1676 7.47154 61.5211 8.55635 TIMING: 3813000 CPU: 11912.3, 0.00313795/step Wall: 11912.3, 0.00313796/step, 1.03465 hours remaining, 234.589844 MB of memory in use. ENERGY: 3813000 3986.1461 20518.0408 14432.3584 245.8459 -203520.0881 3135.2148 0.0000 0.0000 52465.7789 -108736.7031 301.5216 -161202.4820 -108372.5362 300.6015 -14.0055 15.3399 762956.3753 11.0188 11.3380 PRESSURE: 3813200 125.713 67.2662 88.888 67.2665 -156.416 326.564 88.8874 326.564 25.9471 GPRESSURE: 3813200 164.383 58.8815 84.9538 45.7425 -80.5378 323.65 -13.8262 276.534 -12.1271 PRESSAVG: 3813200 -1.66021 6.09473 -14.7361 6.09484 31.9644 71.3297 -14.7361 71.3297 -0.363868 GPRESSAVG: 3813200 -1.8263 4.45848 -16.372 6.74033 31.6178 70.6911 -13.2476 68.2157 -0.256711 TIMING: 3813200 CPU: 11912.9, 0.00311156/step Wall: 11912.9, 0.00311156/step, 1.02578 hours remaining, 234.589844 MB of memory in use. ENERGY: 3813200 4036.2439 20738.2309 14413.7600 235.4526 -202898.5889 2852.3376 0.0000 0.0000 52070.1681 -108552.3957 299.2480 -160622.5638 -108199.3631 300.7582 -1.5854 23.9060 763907.2128 9.9801 9.8449 PRESSURE: 3813400 -271.452 80.4607 11.6336 80.4608 -132.535 -233.449 11.6337 -233.448 -375.701 GPRESSURE: 3813400 -268.96 -72.8862 79.5034 91.8143 -62.4718 -205.711 36.5177 -124.771 -408.169 PRESSAVG: 3813400 -37.688 17.0912 -37.5185 17.0911 19.4206 19.8221 -37.5186 19.8221 -2.54321 GPRESSAVG: 3813400 -37.5133 16.6415 -37.3332 16.7393 19.318 19.5727 -37.3509 22.5642 -2.32153 TIMING: 3813400 CPU: 11913.5, 0.00313539/step Wall: 11913.5, 0.00313539/step, 1.03346 hours remaining, 234.589844 MB of memory in use. ENERGY: 3813400 4051.5609 20427.6742 14458.0389 233.3739 -202964.0879 2501.1617 0.0000 0.0000 52446.1060 -108846.1724 301.4085 -161292.2784 -108486.0910 300.6918 -259.8960 -246.5335 764368.0853 -6.9369 -6.8389 PRESSURE: 3813600 -110.465 2.55425 -118.941 2.55331 330.232 -108.986 -118.941 -108.987 50.9314 GPRESSURE: 3813600 -80.7326 -21.8769 -119.946 34.9006 326.666 -114.804 -98.0985 12.3843 79.1923 PRESSAVG: 3813600 -46.6301 -25.9659 7.8567 -25.966 24.1783 -23.4408 7.85671 -23.4408 -8.97139 GPRESSAVG: 3813600 -46.7647 -24.3596 7.8712 -27.7199 23.9107 -24.6101 6.62424 -23.5716 -8.92338 TIMING: 3813600 CPU: 11914.2, 0.00313865/step Wall: 11914.2, 0.00313865/step, 1.03436 hours remaining, 234.589844 MB of memory in use. ENERGY: 3813600 4014.5763 20546.6478 14488.7323 247.9518 -203302.0845 2946.0883 0.0000 0.0000 52175.3667 -108882.7213 299.8525 -161058.0881 -108503.4869 300.2304 90.2331 108.3752 764350.4134 -10.4744 -10.5925 PRESSURE: 3813800 -80.9865 -60.0379 -58.9104 -60.0386 -362.278 25.5391 -58.9111 25.5397 110.016 GPRESSURE: 3813800 -6.51475 3.36157 -29.691 -107.262 -370.219 97.6473 -194.032 -93.7135 103.155 PRESSAVG: 3813800 35.2683 18.5464 -41.3846 18.5464 -21.315 3.25663 -41.3847 3.25655 14.398 GPRESSAVG: 3813800 34.6247 17.0903 -41.815 20.7388 -19.8321 4.22777 -40.6633 3.1567 13.1593 TIMING: 3813800 CPU: 11914.8, 0.00313088/step Wall: 11914.8, 0.00313088/step, 1.03163 hours remaining, 234.589844 MB of memory in use. ENERGY: 3813800 4006.5785 20601.8933 14534.5176 236.2355 -202737.4549 2338.0946 0.0000 0.0000 52062.7357 -108957.3998 299.2053 -161020.1354 -108601.9769 300.1015 -111.0828 -91.1929 762875.0496 9.4504 9.3173 PRESSURE: 3814000 -176.59 52.0686 113.099 52.0687 153.789 318.802 113.099 318.801 60.8942 GPRESSURE: 3814000 -215.564 119.036 79.4956 99.5651 254.906 320.882 14.9583 266.255 87.4821 PRESSAVG: 3814000 -33.3988 -15.922 -19.2585 -15.9219 38.5765 25.7143 -19.2584 25.7144 -11.6424 GPRESSAVG: 3814000 -33.4881 -14.3759 -18.044 -16.135 38.3762 24.4171 -20.5301 23.5824 -11.0186 TIMING: 3814000 CPU: 11915.4, 0.00310323/step Wall: 11915.4, 0.00310323/step, 1.02234 hours remaining, 234.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3814000 3955.5399 20758.2057 14415.2381 256.9147 -203309.3957 2873.6461 0.0000 0.0000 52043.6108 -109006.2405 299.0953 -161049.8513 -108667.7113 300.0148 12.6979 42.2749 764397.9731 -2.1549 -2.0435 PRESSURE: 3814200 -131.855 250.024 51.3386 250.024 86.9839 -107.355 51.3381 -107.356 -135.08 GPRESSURE: 3814200 -47.5695 165.107 -55.9346 308.684 46.5174 -141.574 130.95 70.8463 -90.8142 PRESSAVG: 3814200 -12.1949 -5.96504 1.57204 -5.96502 16.5713 3.2133 1.57206 3.21325 32.5851 GPRESSAVG: 3814200 -12.3756 -8.34457 0.901339 -5.10691 16.7322 3.75208 1.62486 5.99792 32.4236 TIMING: 3814200 CPU: 11916, 0.00311723/step Wall: 11916, 0.00311722/step, 1.02678 hours remaining, 234.589844 MB of memory in use. ENERGY: 3814200 3989.9743 20554.2347 14449.7707 255.5836 -203721.6617 2977.0262 0.0000 0.0000 52187.1048 -109307.9675 299.9200 -161495.0723 -108942.0312 300.2548 -59.9838 -30.6221 763705.6811 12.3205 12.2601 PRESSURE: 3814400 36.5741 -18.4688 10.5373 -18.4695 -27.9636 149.664 10.5375 149.664 -76.117 GPRESSURE: 3814400 111.65 -7.86771 -65.6164 -67.2725 2.33222 119.64 16.9638 238.808 -83.9202 PRESSAVG: 3814400 -10.0964 -3.36534 16.8597 -3.36528 20.8795 6.83727 16.8597 6.83732 -15.1576 GPRESSAVG: 3814400 -10.0703 -3.08955 16.7055 -5.11633 19.624 7.67949 17.7536 6.63519 -13.7314 TIMING: 3814400 CPU: 11916.7, 0.00312148/step Wall: 11916.7, 0.00312148/step, 1.02801 hours remaining, 234.589844 MB of memory in use. ENERGY: 3814400 3986.6002 20341.4801 14461.1565 235.4424 -203368.9964 2740.0716 0.0000 0.0000 52143.5132 -109460.7324 299.6695 -161604.2456 -109097.5814 299.5680 -22.5022 10.0206 764081.9661 -1.4582 -1.3926 PRESSURE: 3814600 134.866 76.9663 200.493 76.9668 -11.3035 41.4907 200.493 41.4894 170.635 GPRESSURE: 3814600 130.247 52.2475 205.607 98.0974 77.5739 71.6076 114.203 69.5613 173.942 PRESSAVG: 3814600 -0.195518 3.4233 12.1086 3.4233 10.4998 67.5806 12.1085 67.5805 12.3976 GPRESSAVG: 3814600 0.38722 3.24885 13.2119 3.61241 10.2566 67.0784 11.0286 67.7524 12.2537 TIMING: 3814600 CPU: 11917.3, 0.00313373/step Wall: 11917.3, 0.00313373/step, 1.03187 hours remaining, 234.589844 MB of memory in use. ENERGY: 3814600 3903.3916 20461.2675 14435.0421 242.2689 -203909.3695 3104.3349 0.0000 0.0000 52325.6843 -109437.3802 300.7164 -161763.0645 -109068.4803 299.3516 98.0658 127.2546 761729.9725 7.5673 7.6325 PRESSURE: 3814800 396.825 175.201 -108.848 175.202 -172.729 -74.0886 -108.848 -74.0888 146.723 GPRESSURE: 3814800 396.372 144.807 -81.8513 136.758 -67.3201 -24.6542 -112.857 -95.7168 119.524 PRESSAVG: 3814800 49.0299 -18.5818 11.0517 -18.5817 -55.5222 7.36241 11.0517 7.36245 30.4404 GPRESSAVG: 3814800 48.1284 -19.0617 10.2612 -18.702 -54.1612 7.48499 10.0788 5.71019 29.5673 TIMING: 3814800 CPU: 11917.9, 0.00311702/step Wall: 11917.9, 0.00311702/step, 1.02619 hours remaining, 234.589844 MB of memory in use. ENERGY: 3814800 4013.0830 20469.2061 14373.2931 256.4098 -203427.9721 2723.2160 0.0000 0.0000 52003.7227 -109589.0413 298.8661 -161592.7640 -109229.6283 298.8332 123.6063 149.5255 762108.3966 7.9827 7.8448 PRESSURE: 3815000 -63.5854 -144.592 250.575 -144.591 -203.489 166.265 250.576 166.266 178.236 GPRESSURE: 3815000 -11.273 -225.706 296.439 -244.247 -131.82 237.101 126.796 171.02 134.797 PRESSAVG: 3815000 56.5597 15.3657 19.4242 15.3658 7.96183 20.4609 19.4242 20.4608 -11.5028 GPRESSAVG: 3815000 57.0011 17.5962 21.7947 14.302 7.10504 20.7804 20.1159 20.4992 -11.2879 TIMING: 3815000 CPU: 11918.5, 0.00310252/step Wall: 11918.5, 0.00310252/step, 1.02124 hours remaining, 234.589844 MB of memory in use. ENERGY: 3815000 4025.6572 20465.0925 14465.0196 237.7897 -203352.2155 2803.3586 0.0000 0.0000 51790.9632 -109564.3345 297.6434 -161355.2978 -109204.9281 298.3898 -29.6127 -2.7655 762243.8183 17.6729 17.6061 PRESSURE: 3815200 -36.3257 -101.152 146.56 -101.153 -176.557 -246.628 146.558 -246.629 -71.491 GPRESSURE: 3815200 -10.7872 -49.9475 31.0161 -139.689 -130.476 -197.487 47.4047 -59.2768 -60.1374 PRESSAVG: 3815200 9.89655 26.0736 10.1414 26.0736 -28.8972 -10.0355 10.1414 -10.0355 -4.21137 GPRESSAVG: 3815200 9.56266 23.6049 7.76767 30.366 -28.4684 -11.0265 8.57364 -8.76036 -4.72701 TIMING: 3815200 CPU: 11919.2, 0.00311515/step Wall: 11919.2, 0.00311515/step, 1.02523 hours remaining, 234.589844 MB of memory in use. ENERGY: 3815200 4048.9525 20522.4494 14437.8463 236.7485 -203457.5691 2916.7943 0.0000 0.0000 51841.6790 -109453.0991 297.9348 -161294.7781 -109105.0600 298.7590 -94.7913 -67.1335 763040.5788 -7.7373 -7.8776 PRESSURE: 3815400 -111.763 134.681 -68.9842 134.681 -25.5568 -23.2416 -68.9841 -23.2408 -177.831 GPRESSURE: 3815400 -138.279 175.14 -87.0966 71.6119 36.5335 -24.8587 12.4467 -84.7121 -144.627 PRESSAVG: 3815400 57.4722 -14.3235 -16.5135 -14.3235 -2.66944 -1.93936 -16.5136 -1.9394 12.7071 GPRESSAVG: 3815400 57.3938 -15.29 -16.6675 -14.8328 -3.35915 -1.41354 -13.8785 -1.71948 12.9813 TIMING: 3815400 CPU: 11919.8, 0.00314106/step Wall: 11919.8, 0.00314106/step, 1.03358 hours remaining, 234.578125 MB of memory in use. ENERGY: 3815400 3914.1157 20455.5241 14473.5407 259.5458 -203264.2981 2795.9461 0.0000 0.0000 51936.9636 -109428.6621 298.4824 -161365.6258 -109061.2524 299.2291 -105.0500 -82.1242 762299.0435 22.5033 22.3386 PRESSURE: 3815600 -0.222738 48.1559 -8.14297 48.1558 39.4386 -114.38 -8.14328 -114.381 -390.953 GPRESSURE: 3815600 -38.8855 137.696 -9.3439 38.8259 114.279 -132.393 -53.3703 -92.6783 -337.137 PRESSAVG: 3815600 0.703442 44.4137 -14.7191 44.4137 52.5167 -7.00651 -14.7191 -7.00638 6.46454 GPRESSAVG: 3815600 -0.236764 47.0915 -16.2094 42.0867 53.0777 -6.5081 -15.2436 -6.60501 6.72771 TIMING: 3815600 CPU: 11920.4, 0.00314293/step Wall: 11920.4, 0.00314293/step, 1.03402 hours remaining, 234.578125 MB of memory in use. ENERGY: 3815600 3957.2395 20512.2612 14405.7359 258.5615 -202972.0712 2374.4751 0.0000 0.0000 51839.0500 -109624.7480 297.9197 -161463.7980 -109264.4034 298.9301 -117.2458 -87.2476 761273.4427 19.8949 19.8562 PRESSURE: 3815800 244.393 5.73036 -241.805 5.7301 -60.2767 23.4115 -241.805 23.4104 -44.3337 GPRESSURE: 3815800 312.135 -41.5621 -206.601 -34.6969 69.819 3.87462 -113.418 -10.142 -149.505 PRESSAVG: 3815800 -64.8744 -30.6656 -1.17334 -30.6656 62.5815 5.43502 -1.17335 5.43507 -23.9843 GPRESSAVG: 3815800 -64.6525 -32.2841 -0.615441 -28.1379 62.7328 2.45575 -1.05328 3.70518 -24.2692 TIMING: 3815800 CPU: 11921, 0.00312676/step Wall: 11921, 0.00312676/step, 1.02853 hours remaining, 234.589844 MB of memory in use. ENERGY: 3815800 4010.2461 20441.9821 14426.1701 257.0031 -203586.9833 2969.1712 0.0000 0.0000 52075.9853 -109406.4253 299.2814 -161482.4107 -109051.8872 299.0797 46.5942 77.4829 760945.1171 -8.7591 -8.7296 PRESSURE: 3816000 109.767 207.679 222.975 207.68 -106.601 -144.933 222.975 -144.934 -94.7552 GPRESSURE: 3816000 196.425 281.371 199.086 146.655 -120.358 -188.689 129.263 -100.684 -80.9883 PRESSAVG: 3816000 2.13732 -34.3383 23.641 -34.3383 13.4339 20.5798 23.641 20.5798 0.643758 GPRESSAVG: 3816000 2.88495 -34.3503 24.726 -35.2952 12.3153 22.8733 24.5602 19.9955 0.662867 TIMING: 3816000 CPU: 11921.7, 0.00313066/step Wall: 11921.7, 0.00313066/step, 1.02964 hours remaining, 234.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3816000 4002.6620 20496.5213 14435.0040 245.2845 -203774.4169 3004.2091 0.0000 0.0000 52267.8147 -109322.9212 300.3838 -161590.7359 -108959.7893 299.4560 -30.5298 -1.6405 761904.9466 5.4050 5.2877 PRESSURE: 3816200 -264.938 81.0022 189.138 81.0018 53.6238 62.854 189.138 62.8538 -23.9313 GPRESSURE: 3816200 -271.141 82.0606 94.3783 136.649 95.1313 71.879 57.9059 35.3634 7.51194 PRESSAVG: 3816200 9.44021 8.02499 32.6519 8.02503 -5.01842 -44.2227 32.6518 -44.2227 25.3314 GPRESSAVG: 3816200 9.4727 6.49076 33.4805 7.44179 -4.33443 -43.0616 30.8861 -42.9842 24.4878 TIMING: 3816200 CPU: 11922.3, 0.00314267/step Wall: 11922.3, 0.00314267/step, 1.03341 hours remaining, 234.589844 MB of memory in use. ENERGY: 3816200 4025.4646 20663.4269 14412.0307 266.3234 -203336.6120 2830.7600 0.0000 0.0000 51955.2414 -109183.3650 298.5875 -161138.6064 -108828.9445 299.3197 -78.4150 -56.1660 762609.2184 9.9177 9.8754 LDB: ============= START OF LOAD BALANCING ============== 11934.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11934.8 LDB: =============== DONE WITH MIGRATION ================ 11934.8 LDB: ============= START OF LOAD BALANCING ============== 11935.1 LDB: Largest compute 6998 load 0.028070 is 14.4% of average load 0.195220 LDB: Average compute 0.004378 is 2.2% of average load 0.195220 LDB: TIME 11935.1 LOAD: AVG 0.19522 MAX 0.215226 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.145 MB LDB: TIME 11935.1 LOAD: AVG 0.19522 MAX 0.215226 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.145 MB LDB: TIME 11935.1 LOAD: AVG 0.19522 MAX 0.215226 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.145 MB LDB: ============== END OF LOAD BALANCING =============== 11935.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11935.1 PRESSURE: 3816400 54.6762 188.241 -251.262 188.24 -346.516 303.83 -251.261 303.83 60.9581 GPRESSURE: 3816400 82.2958 102.08 -238.612 277.854 -230.32 247.243 -86.8359 247.275 10.4842 PRESSAVG: 3816400 -11.0514 9.02209 -19.0999 9.0221 0.396077 -33.2301 -19.0999 -33.2301 -15.8903 GPRESSAVG: 3816400 -10.5844 12.1421 -19.3087 7.94879 -0.393196 -33.8402 -17.9541 -35.106 -15.1126 TIMING: 3816400 CPU: 11922.9, 0.00320632/step Wall: 11922.9, 0.00320632/step, 1.05417 hours remaining, 234.757812 MB of memory in use. ENERGY: 3816400 4013.2686 20467.1575 14472.6548 267.8327 -203320.3150 2763.2248 0.0000 0.0000 51907.5788 -109428.5978 298.3136 -161336.1766 -109060.6887 299.2277 -76.9607 -45.8466 763594.2338 -8.8485 -8.6968 PRESSURE: 3816600 279.795 -93.6987 -70.6311 -93.6997 153.6 140.907 -70.6311 140.907 303.546 GPRESSURE: 3816600 274.358 -99.7334 -144.529 -15.6067 224.233 186.013 -32.0954 72.1403 321.592 PRESSAVG: 3816600 10.8475 -8.47834 -23.0429 -8.47827 -32.1511 -47.7512 -23.0429 -47.7512 11.64 GPRESSAVG: 3816600 9.81589 -9.08084 -21.8926 -8.0362 -30.9545 -47.4575 -23.6382 -46.4906 11.9156 TIMING: 3816600 CPU: 11923.6, 0.00311646/step Wall: 11923.6, 0.00311646/step, 1.02445 hours remaining, 234.960938 MB of memory in use. ENERGY: 3816600 3904.7662 20579.6233 14468.1414 240.7874 -203598.0181 3026.5900 0.0000 0.0000 52130.7100 -109247.3998 299.5959 -161378.1098 -108895.1280 298.7931 245.6472 273.3943 761282.8527 -3.2212 -3.0743 PRESSURE: 3816800 -257.681 14.3111 5.70249 14.3122 153.985 -111.887 5.70323 -111.888 -95.9113 GPRESSURE: 3816800 -256.235 98.7454 154.065 -18.655 158.156 20.5823 -112.97 -92.9289 -8.06856 PRESSAVG: 3816800 26.0969 -15.336 66.397 -15.336 -24.4342 2.00737 66.397 2.00731 17.4969 GPRESSAVG: 3816800 26.4057 -17.4888 65.4698 -14.4207 -24.3772 3.17037 65.8608 3.43681 16.9072 TIMING: 3816800 CPU: 11924.2, 0.00313706/step Wall: 11924.2, 0.00313706/step, 1.03105 hours remaining, 235.359375 MB of memory in use. ENERGY: 3816800 4004.3928 20714.1627 14382.3384 237.2299 -203129.5055 2521.9760 0.0000 0.0000 51953.5621 -109315.8435 298.5778 -161269.4057 -108963.0436 299.0965 -66.5358 -35.3824 763252.3031 6.3865 6.3119 PRESSURE: 3817000 -104.667 119.842 118.729 119.843 50.6859 22.5959 118.729 22.5961 -114.556 GPRESSURE: 3817000 -66.5618 48.8661 128.631 71.4329 37.3647 70.732 93.2358 -8.76917 -68.6261 PRESSAVG: 3817000 -8.81891 -20.1155 8.25089 -20.1156 -0.70655 5.63853 8.25085 5.63849 -14.1778 GPRESSAVG: 3817000 -8.63621 -17.6447 7.66467 -19.1487 -0.820107 3.56565 9.79213 6.37328 -14.6693 TIMING: 3817000 CPU: 11924.8, 0.0031536/step Wall: 11924.8, 0.0031536/step, 1.03631 hours remaining, 235.359375 MB of memory in use. ENERGY: 3817000 4021.5635 20396.6219 14537.6562 256.4445 -203114.9141 2509.1722 0.0000 0.0000 52108.5842 -109284.8716 299.4687 -161393.4558 -108923.3717 299.2405 -56.1791 -32.6077 764119.3339 -7.9011 -8.0419 PRESSURE: 3817200 -34.0253 -178.193 -100.075 -178.194 -135.149 -26.8496 -100.074 -26.8483 -417.116 GPRESSURE: 3817200 -62.2785 -159.011 -81.4765 -39.0947 -51.5442 -101.887 -191.693 -158.704 -386.155 PRESSAVG: 3817200 72.6356 30.2774 52.2056 30.2773 -16.4149 38.4543 52.2056 38.4544 5.15883 GPRESSAVG: 3817200 72.679 30.564 52.6451 30.1752 -17.6363 39.2287 52.8755 35.889 6.63162 TIMING: 3817200 CPU: 11925.4, 0.00313566/step Wall: 11925.4, 0.00313566/step, 1.03024 hours remaining, 235.359375 MB of memory in use. ENERGY: 3817200 4027.6858 20690.4385 14436.2583 240.8602 -203488.1730 2750.4953 0.0000 0.0000 52065.8424 -109276.5924 299.2231 -161342.4348 -108915.3948 299.3462 -195.4303 -166.6594 761921.5089 20.4598 20.5581 PRESSURE: 3817400 136.357 -83.1579 -88.7735 -83.1572 -7.40747 70.5227 -88.774 70.5239 23.641 GPRESSURE: 3817400 128.473 -71.761 -18.7057 -59.151 40.6256 3.8786 -25.3573 168.997 48.51 PRESSAVG: 3817400 43.2716 25.3929 -6.88889 25.3928 -11.1413 21.6816 -6.88889 21.6816 -9.70828 GPRESSAVG: 3817400 43.6688 25.7794 -6.84028 23.2846 -10.8167 20.4722 -7.03643 22.5618 -10.6881 TIMING: 3817400 CPU: 11926.1, 0.0031605/step Wall: 11926.1, 0.0031605/step, 1.03823 hours remaining, 235.359375 MB of memory in use. ENERGY: 3817400 3922.9523 20549.9831 14420.1825 260.0608 -203388.4675 2892.3732 0.0000 0.0000 51908.4205 -109434.4951 298.3184 -161342.9156 -109073.7781 299.4258 50.8634 72.5363 763015.3594 7.4740 7.3880 PRESSURE: 3817600 315.702 -93.3086 -5.98154 -93.3086 258.73 -159.713 -5.98091 -159.713 20.752 GPRESSURE: 3817600 209.894 -66.358 40.3002 -99.3972 314.038 -218.907 81.6142 -140.454 127.878 PRESSAVG: 3817600 9.01288 -28.1499 25.5125 -28.1499 6.75244 58.5272 25.5125 58.5272 10.3488 GPRESSAVG: 3817600 9.32711 -26.5552 25.4279 -27.5382 5.85916 59.5713 23.2205 59.7747 10.9546 TIMING: 3817600 CPU: 11926.7, 0.00315789/step Wall: 11926.7, 0.00315788/step, 1.03719 hours remaining, 235.359375 MB of memory in use. ENERGY: 3817600 3976.1940 20740.4350 14414.9064 255.3248 -203559.2657 2782.1219 0.0000 0.0000 52040.5977 -109349.6858 299.0780 -161390.2836 -108991.3503 298.8826 198.3945 217.2699 762122.1986 8.7047 8.7136 PRESSURE: 3817800 191.029 107.78 -49.0154 107.779 80.0833 -75.0422 -49.0153 -75.0418 -147.572 GPRESSURE: 3817800 204.766 29.7971 72.5894 62.6521 88.2822 -70.7997 -156.914 -34.3347 -59.9523 PRESSAVG: 3817800 52.6007 26.0546 -21.8826 26.0546 -10.8465 22.8681 -21.8826 22.8681 1.71314 GPRESSAVG: 3817800 51.8649 23.4609 -19.5619 27.2534 -10.1893 23.3472 -19.669 21.2187 2.20777 TIMING: 3817800 CPU: 11927.3, 0.00317256/step Wall: 11927.3, 0.00317256/step, 1.04183 hours remaining, 235.359375 MB of memory in use. ENERGY: 3817800 4051.1803 20432.5728 14435.5294 282.8605 -203785.3676 2949.0649 0.0000 0.0000 52241.1038 -109393.0559 300.2303 -161634.1597 -109021.8261 299.0428 41.1803 77.6986 763592.2266 14.4891 14.6278 PRESSURE: 3818000 -486.649 -169.504 -24.1058 -169.503 101.073 286.355 -24.1047 286.355 -225.382 GPRESSURE: 3818000 -449.463 -153.314 110.695 -206.962 151.346 211.865 -57.6221 448.295 -229.424 PRESSAVG: 3818000 -6.44168 6.73618 26.6758 6.73618 -14.5215 62.8996 26.6758 62.8997 -13.939 GPRESSAVG: 3818000 -5.13119 7.83655 24.7095 5.99211 -14.4626 61.6144 24.2285 65.8015 -14.9994 TIMING: 3818000 CPU: 11928, 0.00315243/step Wall: 11928, 0.00315243/step, 1.03505 hours remaining, 235.359375 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: 3818000 4100.0331 20616.2846 14468.4293 254.2445 -203549.4776 2601.7688 0.0000 0.0000 52397.3061 -109111.4112 301.1280 -161508.7174 -108750.2137 299.6590 -203.6525 -175.8468 764249.5263 -11.6340 -11.5311 PRESSURE: 3818200 31.2398 -3.8511 133.423 -3.85168 -464.245 298.788 133.423 298.788 -132.471 GPRESSURE: 3818200 -15.5986 -48.0001 14.415 -77.3829 -423.341 172.517 163.685 170.828 -41.9629 PRESSAVG: 3818200 6.02027 -1.92667 -71.6833 -1.92664 -19.5313 26.2375 -71.6832 26.2375 -4.34421 GPRESSAVG: 3818200 5.82586 -2.69001 -71.9007 -3.04685 -19.4199 27.0352 -69.6988 22.2701 -4.06976 TIMING: 3818200 CPU: 11928.6, 0.00314917/step Wall: 11928.6, 0.00314917/step, 1.0338 hours remaining, 235.359375 MB of memory in use. ENERGY: 3818200 3955.6406 20537.6797 14473.1356 246.4579 -203132.3306 2619.8352 0.0000 0.0000 51946.7696 -109352.8122 298.5388 -161299.5818 -108994.3269 299.3907 -188.4920 -160.3008 764552.4027 -5.9517 -5.8879 PRESSURE: 3818400 -6.5179 -278.443 -70.4174 -278.443 65.3409 -84.4161 -70.4176 -84.416 211.747 GPRESSURE: 3818400 50.1173 -199.897 -111.748 -193.535 147.624 11.9917 17.6127 -37.6212 172.503 PRESSAVG: 3818400 -44.7855 -74.8608 34.4699 -74.8608 7.44797 31.9476 34.4698 31.9476 4.99049 GPRESSAVG: 3818400 -46.0492 -75.7328 34.8113 -73.7156 8.8081 32.1442 35.5019 32.4316 5.2432 TIMING: 3818400 CPU: 11929.2, 0.00317918/step Wall: 11929.2, 0.00317918/step, 1.04348 hours remaining, 235.359375 MB of memory in use. ENERGY: 3818400 3979.0327 20497.2319 14444.4681 250.9562 -203597.3994 2930.2828 0.0000 0.0000 52107.0319 -109388.3958 299.4598 -161495.4277 -109029.2000 299.5945 90.1902 123.4148 763253.0427 -10.7823 -10.6660 PRESSURE: 3818600 212.468 120.183 -71.3617 120.184 222.541 209.128 -71.3618 209.128 200.606 GPRESSURE: 3818600 270.283 57.5735 -31.8799 184.771 232.747 264.948 -247.889 68.5624 211.882 PRESSAVG: 3818600 -15.8093 -3.1616 -37.3876 -3.16158 15.9166 65.1383 -37.3875 65.1383 3.55676 GPRESSAVG: 3818600 -14.831 -3.0094 -37.5807 -2.51275 13.9817 62.3399 -36.7565 64.8093 4.20821 TIMING: 3818600 CPU: 11929.9, 0.00316316/step Wall: 11929.9, 0.00316315/step, 1.03804 hours remaining, 235.359375 MB of memory in use. ENERGY: 3818600 3920.0799 20583.4130 14384.6267 239.3417 -203737.4671 3147.0734 0.0000 0.0000 51947.3772 -109515.5550 298.5423 -161462.9322 -109158.9577 298.2953 211.8718 238.3040 763637.2975 1.2214 1.1196 PRESSURE: 3818800 -184.099 -133.027 -7.63823 -133.027 16.5679 -313.384 -7.63856 -313.383 -27.4889 GPRESSURE: 3818800 -215.439 -240.902 6.08357 -209.918 98.4727 -337.137 0.160117 -331.412 -30.0353 PRESSAVG: 3818800 -64.3913 1.41102 -73.8326 1.41103 22.649 6.95356 -73.8326 6.95344 -14.2552 GPRESSAVG: 3818800 -64.5925 0.407502 -73.452 1.37596 23.4087 8.12951 -76.6391 6.15945 -14.7047 TIMING: 3818800 CPU: 11930.5, 0.00315406/step Wall: 11930.5, 0.00315406/step, 1.03488 hours remaining, 235.359375 MB of memory in use. ENERGY: 3818800 3987.5937 20567.5276 14387.0564 242.1502 -203452.5016 2914.6048 0.0000 0.0000 51821.4910 -109532.0778 297.8188 -161353.5688 -109169.7231 298.4795 -65.0067 -49.0004 764484.3820 -18.6659 -18.6295 PRESSURE: 3819000 -51.4176 111.279 40.9585 111.278 -12.9515 325.277 40.9589 325.278 -210.39 GPRESSURE: 3819000 -50.6488 77.8232 -33.9271 97.4017 83.5496 337.809 112.093 192.468 -220.183 PRESSAVG: 3819000 6.83327 -22.6899 -40.4855 -22.69 10.0089 26.2 -40.4856 26.2 -23.0149 GPRESSAVG: 3819000 7.01279 -21.6938 -40.4505 -22.258 9.93865 26.1859 -38.0434 27.4004 -22.697 TIMING: 3819000 CPU: 11931.1, 0.00315828/step Wall: 11931.1, 0.00315828/step, 1.03609 hours remaining, 235.359375 MB of memory in use. ENERGY: 3819000 4005.6828 20294.6365 14469.5703 225.7154 -202963.0919 2582.7318 0.0000 0.0000 51690.0140 -109694.7412 297.0632 -161384.7552 -109332.3544 298.0737 -91.5862 -62.4275 764602.7481 -2.0576 -1.9152 PRESSURE: 3819200 189.35 -6.55749 -223.225 -6.55722 -84.2342 -85.937 -223.225 -85.9371 456.998 GPRESSURE: 3819200 205.7 -20.0742 -205.172 111.847 3.85488 -46.6061 -174.909 -1.31555 437.73 PRESSAVG: 3819200 -37.6187 -20.0073 -12.328 -20.0073 11.8325 14.2764 -12.328 14.2764 -13.8356 GPRESSAVG: 3819200 -36.5684 -20.1681 -13.5733 -20.4429 11.3716 15.8434 -14.0154 13.388 -14.0466 TIMING: 3819200 CPU: 11931.8, 0.00316495/step Wall: 11931.8, 0.00316495/step, 1.0381 hours remaining, 235.359375 MB of memory in use. ENERGY: 3819200 3950.8523 20100.2306 14464.8085 249.8600 -203314.1858 2842.3387 0.0000 0.0000 51780.7042 -109925.3915 297.5844 -161706.0957 -109561.0415 296.9691 187.3713 215.7614 763194.4548 -13.2072 -13.0811 PRESSURE: 3819400 -180.224 178.666 -134.709 178.666 -373.9 -52.0637 -134.709 -52.0635 242.192 GPRESSURE: 3819400 -194.033 231.453 -211.707 81.0517 -340.826 -81.7798 -65.7473 -102.537 294.068 PRESSAVG: 3819400 22.4419 -42.7892 -26.4901 -42.7893 -23.5853 2.4523 -26.4901 2.45234 3.74761 GPRESSAVG: 3819400 21.1262 -42.1228 -26.0193 -41.5821 -23.2798 0.328677 -26.2976 4.0571 3.97089 TIMING: 3819400 CPU: 11932.4, 0.00316233/step Wall: 11932.4, 0.00316233/step, 1.03707 hours remaining, 235.359375 MB of memory in use. ENERGY: 3819400 3911.6125 20483.7357 14431.7211 227.0757 -203510.8718 2748.0429 0.0000 0.0000 52191.3966 -109517.2873 299.9447 -161708.6840 -109156.4589 297.8755 -103.9774 -80.2635 763577.5321 0.8681 0.6058 PRESSURE: 3819600 240.445 85.9941 -105.734 85.9947 -133.833 117.962 -105.733 117.962 473.499 GPRESSURE: 3819600 220.52 88.5013 -162.516 38.5443 -111.889 133.328 40.5542 41.5297 540.567 PRESSAVG: 3819600 39.3911 2.63006 -17.5373 2.63003 -42.2132 11.4743 -17.5373 11.4743 -3.59323 GPRESSAVG: 3819600 39.1722 2.99501 -18.578 1.05291 -42.4875 12.418 -15.157 8.87422 -2.99999 TIMING: 3819600 CPU: 11933, 0.00314899/step Wall: 11933, 0.00314899/step, 1.03252 hours remaining, 235.359375 MB of memory in use. ENERGY: 3819600 3984.8037 20350.3585 14361.9225 240.8314 -203441.1838 2866.6590 0.0000 0.0000 52073.9819 -109562.6267 299.2699 -161636.6086 -109204.6328 298.3140 193.3703 216.3994 764495.8744 -2.1384 -2.1051 PRESSURE: 3819800 -4.35906 -232.319 -80.5647 -232.319 -101.139 -22.8625 -80.5646 -22.8633 76.2344 GPRESSURE: 3819800 70.438 -231.154 -11.8391 -152.234 58.9252 1.11268 -136.381 -145.691 -80.602 PRESSAVG: 3819800 46.4159 -11.0514 20.5475 -11.0514 -19.2835 23.291 20.5475 23.2911 -7.01587 GPRESSAVG: 3819800 47.0521 -10.6654 21.0025 -9.06627 -17.7379 24.3389 18.387 25.1168 -8.62711 TIMING: 3819800 CPU: 11933.7, 0.00313694/step Wall: 11933.7, 0.00313694/step, 1.02839 hours remaining, 235.359375 MB of memory in use. ENERGY: 3819800 3963.3778 20559.3976 14408.7851 261.1329 -203636.9655 2779.2417 0.0000 0.0000 52307.0556 -109357.9747 300.6094 -161665.0303 -108987.6184 299.1217 -9.7545 16.2537 762878.6778 6.7055 6.8957 PRESSURE: 3820000 -127.276 -144.901 38.6138 -144.901 39.3952 -134.551 38.6148 -134.552 -125.717 GPRESSURE: 3820000 -149.472 -246.497 100.043 -217.526 70.7486 -40.3708 28.5103 -216.992 -65.1969 PRESSAVG: 3820000 33.1124 2.09394 17.7567 2.09392 -5.80082 -5.79119 17.7567 -5.79116 -9.20999 GPRESSAVG: 3820000 34.4516 2.13487 17.501 -0.116841 -8.09438 -6.28605 18.7283 -4.91684 -7.66443 TIMING: 3820000 CPU: 11934.3, 0.00314299/step Wall: 11934.3, 0.00314299/step, 1.0302 hours remaining, 235.359375 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: 3820000 4019.6275 20526.3825 14464.3973 253.3946 -203225.0729 2651.1284 0.0000 0.0000 51804.1334 -109506.0092 297.7191 -161310.1426 -109154.6008 299.0017 -71.1991 -47.9736 763909.3337 6.0339 6.2309 PRESSURE: 3820200 -204.186 114.764 131.709 114.764 -122.292 64.9429 131.71 64.9426 -511.145 GPRESSURE: 3820200 -207.358 13.4094 65.1788 71.373 -76.6995 117.301 81.9618 66.6947 -486.41 PRESSAVG: 3820200 1.52415 2.32862 3.94561 2.32857 -33.5648 14.8619 3.94561 14.8619 17.43 GPRESSAVG: 3820200 -0.249409 3.0549 4.98203 3.69809 -31.5048 13.3437 3.17076 14.2533 17.1729 TIMING: 3820200 CPU: 11934.9, 0.003124/step Wall: 11934.9, 0.003124/step, 1.0238 hours remaining, 235.359375 MB of memory in use. ENERGY: 3820200 3982.6072 20443.4738 14452.6258 244.1285 -203250.0302 2680.2915 0.0000 0.0000 51983.8731 -109463.0302 298.7520 -161446.9034 -109098.7394 298.7241 -279.2076 -256.8225 763228.2506 -4.8702 -4.8604 LDB: ============= START OF LOAD BALANCING ============== 11947.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11947.4 LDB: =============== DONE WITH MIGRATION ================ 11947.4 LDB: ============= START OF LOAD BALANCING ============== 11947.7 LDB: Largest compute 6998 load 0.028390 is 14.5% of average load 0.195271 LDB: Average compute 0.004351 is 2.2% of average load 0.195271 LDB: TIME 11947.7 LOAD: AVG 0.195271 MAX 0.215742 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.156 MB LDB: TIME 11947.7 LOAD: AVG 0.195271 MAX 0.215742 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.156 MB LDB: TIME 11947.7 LOAD: AVG 0.195271 MAX 0.215742 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.156 MB LDB: ============== END OF LOAD BALANCING =============== 11947.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11947.7 PRESSURE: 3820400 -56.6961 -36.2478 -67.3496 -36.2481 279.968 263.422 -67.3505 263.421 518.915 GPRESSURE: 3820400 -69.2402 -77.5521 -30.984 -26.8934 344.215 273.994 -6.83045 156.869 546.033 PRESSAVG: 3820400 2.08262 -4.48728 -0.342178 -4.48727 -21.4242 24.5738 -0.342239 24.5738 -37.9361 GPRESSAVG: 3820400 3.82981 -5.80783 0.246279 -2.61301 -23.6243 26.0823 -1.77951 23.5634 -37.228 TIMING: 3820400 CPU: 11935.5, 0.00320566/step Wall: 11935.5, 0.00320566/step, 1.05039 hours remaining, 233.679688 MB of memory in use. ENERGY: 3820400 4012.8316 20435.8377 14482.8935 248.9394 -203920.3508 3145.6569 0.0000 0.0000 52171.0255 -109423.1662 299.8276 -161594.1917 -109070.0002 299.0405 247.3954 273.6693 763115.0027 -19.0926 -19.0075 PRESSURE: 3820600 306.054 211.848 -15.1345 211.847 215.356 -152.256 -15.1355 -152.257 203.904 GPRESSURE: 3820600 287.426 156.284 -2.77911 89.4704 350.858 -78.6857 67.481 -173.224 147.146 PRESSAVG: 3820600 -4.98278 -9.37511 -21.1315 -9.3751 -2.01196 76.3377 -21.1316 76.3377 15.6681 GPRESSAVG: 3820600 -5.92625 -9.68331 -22.75 -10.9373 -0.586463 77.1914 -18.3802 77.2072 15.502 TIMING: 3820600 CPU: 11936.2, 0.00316278/step Wall: 11936.2, 0.00316278/step, 1.03616 hours remaining, 233.875000 MB of memory in use. ENERGY: 3820600 3998.0949 20497.2946 14486.0610 242.5439 -203896.0415 3267.3110 0.0000 0.0000 52035.3714 -109369.3647 299.0480 -161404.7361 -109014.6037 299.2102 241.7716 261.8098 763154.2649 2.8911 2.9964 PRESSURE: 3820800 194.641 -63.2824 -257.398 -63.2827 294.143 44.3692 -257.398 44.3696 279.359 GPRESSURE: 3820800 250.928 -33.2642 -217.301 -45.8886 262.237 164.474 -291.689 101.668 335.936 PRESSAVG: 3820800 59.3962 -0.0844029 -58.6594 -0.0844605 6.70217 39.6571 -58.6594 39.6572 -5.75758 GPRESSAVG: 3820800 59.2833 -0.257314 -59.3316 1.94054 7.16318 37.9851 -57.2831 40.9824 -5.7857 TIMING: 3820800 CPU: 11936.8, 0.0031431/step Wall: 11936.8, 0.0031431/step, 1.02954 hours remaining, 233.875000 MB of memory in use. ENERGY: 3820800 3956.4356 20440.8333 14476.1533 250.7754 -203490.6884 2974.1300 0.0000 0.0000 52074.1398 -109318.2210 299.2708 -161392.3609 -108954.4649 299.0117 256.0475 283.0338 763446.0106 20.1136 20.2203 PRESSURE: 3821000 42.8378 -25.3598 48.3444 -25.3592 -222.916 -121.03 48.3446 -121.031 349.597 GPRESSURE: 3821000 101.683 -19.5741 29.4545 -29.322 -243.591 -99.2078 42.18 -95.5009 380.305 PRESSAVG: 3821000 4.19178 12.4247 15.9639 12.4247 19.5458 -1.97053 15.9639 -1.97052 -31.8538 GPRESSAVG: 3821000 5.76544 10.7536 17.5389 10.4913 17.3909 -1.2245 13.9472 -2.17496 -31.2797 TIMING: 3821000 CPU: 11937.4, 0.00313996/step Wall: 11937.4, 0.00313996/step, 1.02834 hours remaining, 233.875000 MB of memory in use. ENERGY: 3821000 4008.1294 20517.0225 14437.7378 237.8205 -203586.2665 3019.9219 0.0000 0.0000 52023.7907 -109341.8437 298.9814 -161365.6344 -108971.1014 299.4947 56.5063 79.4660 763305.4960 -2.7054 -2.7078 PRESSURE: 3821200 3.82558 94.767 -68.7979 94.7676 59.8677 67.1692 -68.7978 67.17 -242.97 GPRESSURE: 3821200 36.9093 44.7193 -71.2396 137.813 132.987 130.247 -76.4762 131.931 -280.599 PRESSAVG: 3821200 -23.1962 -0.275211 34.2443 -0.27525 -1.0023 25.4806 34.2442 25.4807 17.7169 GPRESSAVG: 3821200 -24.9435 0.33554 34.2449 -0.649954 1.46712 26.2039 33.9483 25.243 17.0146 TIMING: 3821200 CPU: 11938.1, 0.00315806/step Wall: 11938.1, 0.00315806/step, 1.03409 hours remaining, 233.875000 MB of memory in use. ENERGY: 3821200 3970.2231 20579.3646 14430.7764 245.1327 -203902.1651 3037.5054 0.0000 0.0000 52472.2433 -109166.9195 301.5587 -161639.1628 -108796.7408 299.2303 -59.7588 -36.9008 763093.7960 -2.1605 -2.1539 PRESSURE: 3821400 -345.009 141.746 83.0668 141.746 -156.145 -6.17618 83.0672 -6.17552 -560.076 GPRESSURE: 3821400 -287.801 -19.1777 62.807 105.195 -147.802 -27.5655 33.15 31.6046 -566.274 PRESSAVG: 3821400 32.4533 -18.8307 1.86629 -18.8307 7.69738 -8.39095 1.86623 -8.3909 -14.197 GPRESSAVG: 3821400 34.3198 -18.3136 0.536685 -17.4031 7.03845 -9.0197 4.37214 -11.2698 -15.3346 TIMING: 3821400 CPU: 11938.7, 0.00312711/step Wall: 11938.7, 0.00312711/step, 1.02378 hours remaining, 233.875000 MB of memory in use. ENERGY: 3821400 4039.0838 20701.7461 14426.4920 243.6107 -203288.8075 2892.5361 0.0000 0.0000 51995.3342 -108990.0047 298.8179 -160985.3389 -108634.2955 299.5425 -353.7435 -333.9592 763107.9305 8.6512 8.6745 PRESSURE: 3821600 -293.641 17.4136 -29.479 17.4139 -113.561 -55.5538 -29.4798 -55.5539 -184.247 GPRESSURE: 3821600 -229.049 -78.9091 -36.2598 14.8812 -152.055 -61.8882 -118.326 -131.496 -140.371 PRESSAVG: 3821600 -19.3764 -0.294243 -13.488 -0.294144 2.80772 -23.864 -13.4881 -23.864 13.6597 GPRESSAVG: 3821600 -19.6895 -4.19736 -11.5179 -0.29749 2.54641 -24.5816 -15.7709 -20.1877 14.0297 TIMING: 3821600 CPU: 11939.3, 0.00313631/step Wall: 11939.3, 0.00313631/step, 1.02662 hours remaining, 233.875000 MB of memory in use. ENERGY: 3821600 4109.1975 20512.7458 14461.3455 232.3036 -203128.0295 2570.1503 0.0000 0.0000 52225.4778 -109016.8091 300.1405 -161242.2869 -108648.6796 299.8681 -197.1494 -173.8252 762807.0377 -0.9697 -1.0378 PRESSURE: 3821800 -87.0222 -83.4044 21.9752 -83.4049 -101.675 -53.9945 21.9743 -53.9965 408.055 GPRESSURE: 3821800 -97.5701 -137.044 67.7912 -45.0702 -51.8816 0.917264 -20.3485 -26.7984 444.976 PRESSAVG: 3821800 12.9625 -10.3199 71.3652 -10.3198 51.3709 -46.5874 71.3652 -46.5874 6.43392 GPRESSAVG: 3821800 12.3742 -5.39333 69.7024 -10.6652 51.7068 -46.5311 71.8586 -47.9086 6.94103 TIMING: 3821800 CPU: 11939.9, 0.00314475/step Wall: 11939.9, 0.00314475/step, 1.02921 hours remaining, 233.875000 MB of memory in use. ENERGY: 3821800 4005.6095 20569.5736 14443.9361 246.9611 -203231.5030 2866.7297 0.0000 0.0000 52072.6082 -109026.0847 299.2620 -161098.6929 -108668.1639 299.9356 73.1193 98.5081 763066.8601 23.5891 23.6740 PRESSURE: 3822000 287.845 62.4187 258.448 62.4183 23.0382 -116.571 258.449 -116.571 275.22 GPRESSURE: 3822000 254.187 85.6983 212.946 60.0351 198.45 -100.177 303.028 -189.18 229.504 PRESSAVG: 3822000 4.00129 -12.9208 36.5401 -12.9207 -14.2031 -38.8673 36.5402 -38.8673 13.9194 GPRESSAVG: 3822000 4.40015 -15.5897 37.4468 -13.9828 -15.1684 -38.9254 37.1379 -37.473 14.1523 TIMING: 3822000 CPU: 11940.6, 0.00316051/step Wall: 11940.6, 0.00316051/step, 1.03419 hours remaining, 233.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3822000 3920.9005 20660.5660 14361.8473 249.8619 -203536.8944 3005.2910 0.0000 0.0000 52156.2725 -109182.1552 299.7428 -161338.4277 -108812.3287 299.2874 195.3679 227.3804 762431.4530 1.2392 1.1280 PRESSURE: 3822200 111.492 -26.3019 -17.3352 -26.3017 119.937 -11.8519 -17.3359 -11.8533 134.846 GPRESSURE: 3822200 137.315 -77.676 40.2726 -61.1344 159.682 -26.9675 -136.047 118.484 156.376 PRESSAVG: 3822200 12.0416 -37.4251 -16.8363 -37.4251 -28.6949 44.0598 -16.8362 44.0598 9.02745 GPRESSAVG: 3822200 11.2994 -36.022 -16.6059 -36.8643 -28.511 44.3241 -17.522 43.594 9.59414 TIMING: 3822200 CPU: 11941.2, 0.00314448/step Wall: 11941.2, 0.00314448/step, 1.02877 hours remaining, 233.875000 MB of memory in use. ENERGY: 3822200 3947.6535 20434.6632 14439.4822 237.6215 -203327.0615 2758.8008 0.0000 0.0000 52282.7831 -109226.0571 300.4699 -161508.8403 -108861.9298 299.3872 122.0917 151.1243 761949.3116 -2.5419 -2.5392 PRESSURE: 3822400 -208.934 -19.6759 -30.2747 -19.677 -147.285 -32.2202 -30.2749 -32.2213 -164.283 GPRESSURE: 3822400 -138.94 99.0055 -25.6879 10.9925 -108.564 -8.4158 115.929 -8.03776 -197.643 PRESSAVG: 3822400 -81.5474 -22.8214 -6.28462 -22.8213 102.363 41.8219 -6.28465 41.8219 -2.65744 GPRESSAVG: 3822400 -81.35 -23.0742 -8.05044 -22.289 102.589 41.8161 -4.69849 41.9145 -3.18209 TIMING: 3822400 CPU: 11941.8, 0.00312144/step Wall: 11941.8, 0.00312144/step, 1.02106 hours remaining, 233.875000 MB of memory in use. ENERGY: 3822400 4027.7217 20498.3827 14454.1809 230.1605 -203218.1439 2756.9602 0.0000 0.0000 52164.8498 -109085.8881 299.7921 -161250.7379 -108729.6824 299.5595 -173.5007 -148.3825 761694.5885 6.0528 6.0190 PRESSURE: 3822600 -35.7459 -117.092 -28.7866 -117.093 -56.2564 -141.963 -28.7854 -141.963 -185.288 GPRESSURE: 3822600 -25.0282 -70.735 12.7595 -175.015 -75.816 -202.844 13.8484 -87.6241 -116.395 PRESSAVG: 3822600 -7.38142 -14.6443 27.5874 -14.6444 26.1165 2.11729 27.5873 2.11731 12.5174 GPRESSAVG: 3822600 -8.16661 -12.7478 29.6413 -15.5602 26.1687 0.792101 27.3938 2.17223 13.4357 TIMING: 3822600 CPU: 11942.5, 0.00315373/step Wall: 11942.5, 0.00315373/step, 1.03145 hours remaining, 233.875000 MB of memory in use. ENERGY: 3822600 3985.3544 20484.2304 14481.9784 249.3695 -202647.8541 2441.5037 0.0000 0.0000 51970.5875 -109034.8301 298.6757 -161005.4176 -108663.5579 298.8236 -92.4300 -72.4130 762730.4474 10.4175 10.4793 PRESSURE: 3822800 33.4117 -118.612 -48.1571 -118.613 -196.401 205.281 -48.1577 205.281 -255.36 GPRESSURE: 3822800 40.481 -91.5093 -52.2794 -74.6994 -215.956 184.704 22.139 166.052 -176.392 PRESSAVG: 3822800 -85.1115 13.9469 18.6044 13.9469 55.8164 37.9554 18.6044 37.9554 12.8966 GPRESSAVG: 3822800 -84.3793 10.2118 17.2228 14.8331 55.4967 39.4672 18.3433 36.5763 12.1729 TIMING: 3822800 CPU: 11943.1, 0.0031466/step Wall: 11943.1, 0.0031466/step, 1.02894 hours remaining, 233.875000 MB of memory in use. ENERGY: 3822800 3928.9940 20659.4610 14393.5154 246.2588 -202998.1326 2556.3182 0.0000 0.0000 52086.1536 -109127.4317 299.3398 -161213.5853 -108765.1236 299.6080 -139.4497 -117.2891 760843.5861 -5.4662 -5.5699 PRESSURE: 3823000 -185.024 -61.81 -51.6267 -61.8104 -89.2393 20.9137 -51.6267 20.9137 -150.545 GPRESSURE: 3823000 -124.378 -51.4498 -42.2777 6.9186 -112.643 6.97542 -6.28295 10.5691 -80.105 PRESSAVG: 3823000 -12.0227 -35.4446 14.2687 -35.4445 -8.99739 39.5587 14.2686 39.5588 2.56319 GPRESSAVG: 3823000 -12.1178 -34.5845 13.4128 -34.6072 -9.44052 39.3196 15.7735 40.4065 3.37669 TIMING: 3823000 CPU: 11943.7, 0.00314416/step Wall: 11943.7, 0.00314416/step, 1.02797 hours remaining, 233.875000 MB of memory in use. ENERGY: 3823000 3990.0621 20532.7216 14399.8823 241.1378 -202853.8986 2466.2667 0.0000 0.0000 51992.9806 -109230.8474 298.8044 -161223.8280 -108874.6639 299.3527 -141.6028 -105.7085 762474.8199 -6.1523 -6.0606 PRESSURE: 3823200 -188.752 49.0102 -74.8785 49.0105 139.01 -11.0723 -74.879 -11.0716 -61.9712 GPRESSURE: 3823200 -135.071 53.1026 10.7608 1.3322 104.646 -0.0403103 -164.719 59.8591 1.26207 PRESSAVG: 3823200 -9.51392 -7.81652 39.802 -7.81642 25.8825 5.08653 39.802 5.08655 -9.56834 GPRESSAVG: 3823200 -8.76668 -5.52217 40.5083 -8.74028 26.5521 4.00973 41.0351 4.03736 -10.6688 TIMING: 3823200 CPU: 11944.3, 0.00313489/step Wall: 11944.3, 0.00313489/step, 1.02476 hours remaining, 233.875000 MB of memory in use. ENERGY: 3823200 3991.3439 20515.8808 14471.7459 237.2385 -203452.2319 2864.1329 0.0000 0.0000 52346.0992 -109025.7908 300.8338 -161371.8900 -108661.1085 299.8238 -37.2377 -9.7209 761235.0018 2.2667 2.3722 PRESSURE: 3823400 -45.1591 -302.22 159.226 -302.22 -37.5047 146.943 159.226 146.944 149.668 GPRESSURE: 3823400 -123.156 -353.973 91.5027 -259.569 50.9524 28.3489 -36.1868 111.138 208.238 PRESSAVG: 3823400 -12.4848 -7.00593 54.0014 -7.00595 12.3254 -9.39101 54.0014 -9.39095 15.6562 GPRESSAVG: 3823400 -12.9203 -6.46021 54.6222 -8.30609 11.331 -8.02908 51.3259 -6.96444 17.0044 TIMING: 3823400 CPU: 11945, 0.0031669/step Wall: 11945, 0.0031669/step, 1.03505 hours remaining, 233.875000 MB of memory in use. ENERGY: 3823400 3982.4348 20594.3711 14437.2041 241.2050 -203221.7874 2687.9878 0.0000 0.0000 52080.8782 -109197.7064 299.3095 -161278.5846 -108843.2136 299.5051 22.3348 45.3447 762548.7070 5.1656 5.1383 PRESSURE: 3823600 -155.678 182.168 60.2321 182.169 231.439 122.545 60.2324 122.543 354.232 GPRESSURE: 3823600 -82.899 185.064 71.9262 62.037 183.886 182.123 156.166 17.3485 415.13 PRESSAVG: 3823600 21.5738 -61.5053 12.2272 -61.5053 9.50846 18.5202 12.2272 18.5202 -19.3506 GPRESSAVG: 3823600 20.1349 -63.7653 12.6047 -61.4355 11.4956 17.7866 10.0433 17.1739 -20.3268 TIMING: 3823600 CPU: 11945.6, 0.00315977/step Wall: 11945.6, 0.00315977/step, 1.03254 hours remaining, 233.875000 MB of memory in use. ENERGY: 3823600 4013.9926 20484.8195 14364.1982 242.3330 -203509.4162 3148.8765 0.0000 0.0000 52148.5085 -109106.6879 299.6982 -161255.1964 -108746.7012 298.7437 143.3309 172.0388 765253.6596 3.9105 3.7679 PRESSURE: 3823800 0.579973 -232.868 96.7545 -232.868 -26.3318 92.1023 96.7547 92.1031 360.458 GPRESSURE: 3823800 81.4388 -159.713 65.696 -125.282 16.6266 123.037 -28.8649 -3.1113 324.863 PRESSAVG: 3823800 -41.0901 -19.2062 29.8913 -19.2062 21.3272 -18.4738 29.8912 -18.4738 8.84481 GPRESSAVG: 3823800 -39.151 -19.9289 29.7187 -17.9814 19.7223 -17.9422 31.3902 -18.8203 8.46679 TIMING: 3823800 CPU: 11946.2, 0.00313064/step Wall: 11946.2, 0.00313064/step, 1.02285 hours remaining, 233.875000 MB of memory in use. ENERGY: 3823800 3941.2009 20534.5583 14387.7011 250.0531 -202961.1752 2725.4207 0.0000 0.0000 51961.1780 -109161.0631 298.6216 -161122.2411 -108800.5693 299.3802 111.5686 140.9762 763524.6955 -3.6393 -3.6540 PRESSURE: 3824000 -192.016 2.88498 -55.5641 2.88486 -489.356 -188.95 -55.5643 -188.95 -85.0013 GPRESSURE: 3824000 -159.175 -10.3269 -75.4671 -1.09066 -458.371 -280.85 17.6249 -102.082 -51.9383 PRESSAVG: 3824000 -4.29417 -30.1358 3.72671 -30.1359 4.74351 -39.3896 3.72662 -39.3896 0.730657 GPRESSAVG: 3824000 -5.5917 -28.927 3.85034 -30.6648 5.53367 -39.5056 3.19348 -39.0013 1.39104 TIMING: 3824000 CPU: 11946.9, 0.00310705/step Wall: 11946.9, 0.00310705/step, 1.01497 hours remaining, 233.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3824000 4036.8859 20534.0964 14459.0116 248.0357 -202731.7895 2345.2028 0.0000 0.0000 51917.5884 -109190.9689 298.3711 -161108.5572 -108837.3812 299.2491 -255.4578 -223.1616 764229.7704 0.3933 0.4443 PRESSURE: 3824200 -324.466 45.8294 -132.387 45.8294 -79.8899 85.5147 -132.388 85.5154 106.382 GPRESSURE: 3824200 -254.925 25.2065 -166.461 78.6642 21.7864 91.757 -12.1318 -10.217 11.2197 PRESSAVG: 3824200 9.14544 -44.7034 49.5151 -44.7034 -10.6521 31.032 49.5151 31.0321 -15.1325 GPRESSAVG: 3824200 8.15647 -46.1013 49.0169 -43.0905 -9.62018 30.1597 50.6149 32.2257 -14.6903 TIMING: 3824200 CPU: 11947.5, 0.00311236/step Wall: 11947.5, 0.00311236/step, 1.01653 hours remaining, 233.875000 MB of memory in use. ENERGY: 3824200 4021.4939 20508.4041 14463.6834 237.7424 -203283.3317 2689.3230 0.0000 0.0000 52254.2394 -109108.4453 300.3058 -161362.6847 -108734.4257 299.5073 -99.3248 -73.9730 763341.8483 -5.5464 -5.3847 LDB: ============= START OF LOAD BALANCING ============== 11960 LDB: ============== END OF LOAD BALANCING =============== 11960 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11960 LDB: ============= START OF LOAD BALANCING ============== 11960.3 LDB: Largest compute 7065 load 0.028718 is 14.7% of average load 0.195332 LDB: Average compute 0.004363 is 2.2% of average load 0.195332 LDB: TIME 11960.3 LOAD: AVG 0.195332 MAX 0.213471 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.75 MB LDB: TIME 11960.3 LOAD: AVG 0.195332 MAX 0.213471 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.953 MB LDB: TIME 11960.3 LOAD: AVG 0.195332 MAX 0.213471 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.953 MB LDB: ============== END OF LOAD BALANCING =============== 11960.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11960.3 PRESSURE: 3824400 -602.892 96.3167 -116.727 96.3171 -291.717 -2.05533 -116.726 -2.05428 -348.26 GPRESSURE: 3824400 -568.522 109.946 9.86679 41.023 -215.757 38.3652 -59.3709 61.8957 -379.886 PRESSAVG: 3824400 -6.84253 -14.8025 -11.2433 -14.8025 10.4532 -0.567239 -11.2433 -0.567207 25.1709 GPRESSAVG: 3824400 -5.39991 -12.6321 -12.5367 -16.1814 10.2051 -0.679457 -8.22867 -1.34529 23.7934 TIMING: 3824400 CPU: 11948.1, 0.00320304/step Wall: 11948.1, 0.00320304/step, 1.04597 hours remaining, 233.750000 MB of memory in use. ENERGY: 3824400 4092.4009 20479.9334 14387.4002 246.5949 -202914.3862 2312.5020 0.0000 0.0000 52176.8580 -109218.6967 299.8611 -161395.5548 -108856.1597 299.9188 -414.2897 -388.0550 764368.2226 9.5939 9.5329 PRESSURE: 3824600 -281.903 71.7441 63.9148 71.7441 -450.429 -108.352 63.9138 -108.352 -4.18611 GPRESSURE: 3824600 -219.011 78.8651 57.4264 27.8135 -482.818 -95.5305 118.657 -126.473 52.4513 PRESSAVG: 3824600 -20.3585 -19.3098 89.5098 -19.3098 -8.80689 -35.0823 89.5098 -35.0824 -2.82784 GPRESSAVG: 3824600 -20.4772 -19.6179 89.7392 -19.3854 -9.49217 -35.3345 86.7652 -37.2324 -1.91315 TIMING: 3824600 CPU: 11948.7, 0.00311391/step Wall: 11948.7, 0.00311391/step, 1.01669 hours remaining, 233.953125 MB of memory in use. ENERGY: 3824600 3965.7385 20488.1490 14404.7835 237.2117 -202773.1233 2469.7248 0.0000 0.0000 51821.3335 -109386.1823 297.8179 -161207.5158 -109022.0751 299.2429 -245.5060 -216.4594 764003.6354 -10.6644 -10.6275 PRESSURE: 3824800 -158.629 144.401 -161.776 144.402 -221.935 27.5525 -161.777 27.5516 24.6066 GPRESSURE: 3824800 -48.3257 103.33 -79.6588 188.617 -262.758 -73.2631 -66.466 54.2424 48.2117 PRESSAVG: 3824800 2.51429 -2.28532 37.6129 -2.28529 19.3166 -11.7525 37.6129 -11.7524 -11.0938 GPRESSAVG: 3824800 2.47604 -2.83663 37.9169 0.416906 19.4041 -11.8504 39.4284 -8.94374 -11.5192 TIMING: 3824800 CPU: 11949.4, 0.00308971/step Wall: 11949.4, 0.00308971/step, 1.00862 hours remaining, 233.953125 MB of memory in use. ENERGY: 3824800 4015.6472 20345.9591 14400.8978 252.7661 -203392.6983 2757.3882 0.0000 0.0000 52252.5427 -109367.4972 300.2961 -161620.0400 -109004.6979 299.5195 -118.6525 -87.6240 761213.0554 3.5790 3.4537 PRESSURE: 3825000 26.8142 32.7379 41.1033 32.7383 -391.329 129.436 41.1035 129.436 57.1003 GPRESSURE: 3825000 106.42 142.346 6.33246 39.2174 -352.607 54.8338 31.5529 64.3966 22.2495 PRESSAVG: 3825000 -35.7628 -22.7357 20.7864 -22.7357 4.08624 -42.5433 20.7864 -42.5433 14.14 GPRESSAVG: 3825000 -34.879 -22.693 22.5487 -25.556 3.86779 -41.2425 18.791 -44.0062 14.1782 TIMING: 3825000 CPU: 11950, 0.00311818/step Wall: 11950, 0.00311818/step, 1.01774 hours remaining, 233.953125 MB of memory in use. ENERGY: 3825000 3981.0658 20610.1680 14401.2387 230.7895 -203030.1561 2566.9040 0.0000 0.0000 51918.5944 -109321.3958 298.3769 -161239.9902 -108969.5123 298.9911 -102.4715 -74.6459 762390.0690 -5.8455 -5.6110 PRESSURE: 3825200 -7.86225 208.805 -176.795 208.805 297.704 200.403 -176.795 200.402 21.1507 GPRESSURE: 3825200 -53.1832 149.57 -146.106 118.543 361.418 172.119 -219.444 274.509 91.4623 PRESSAVG: 3825200 -26.1513 -25.4984 -15.5906 -25.4983 4.37442 39.6583 -15.5906 39.6582 5.73889 GPRESSAVG: 3825200 -26.6527 -24.2681 -15.9254 -24.6597 4.4701 38.6032 -14.8326 40.2348 6.10731 TIMING: 3825200 CPU: 11950.6, 0.0031189/step Wall: 11950.6, 0.0031189/step, 1.0178 hours remaining, 233.953125 MB of memory in use. ENERGY: 3825200 3996.6780 20410.7427 14431.7965 236.6391 -203377.8947 2842.5312 0.0000 0.0000 52264.2136 -109195.2935 300.3632 -161459.5071 -108838.5302 299.6947 103.6643 133.2323 760934.9046 -5.3460 -5.3584 PRESSURE: 3825400 -276.062 41.4576 49.5319 41.4575 28.8884 -71.0958 49.5318 -71.0953 -228.958 GPRESSURE: 3825400 -317.105 100.367 -12.5391 73.9767 112.093 -118.171 22.167 -124.441 -201.893 PRESSAVG: 3825400 2.58038 -5.09968 33.7101 -5.09973 20.4029 68.3985 33.71 68.3985 -3.54118 GPRESSAVG: 3825400 0.995279 -5.06662 32.8592 -5.77246 21.332 70.2372 32.3217 67.4319 -2.53177 TIMING: 3825400 CPU: 11951.2, 0.00311135/step Wall: 11951.2, 0.00311135/step, 1.01517 hours remaining, 233.953125 MB of memory in use. ENERGY: 3825400 3988.6844 20484.0170 14483.0701 252.5489 -203332.3088 2464.9953 0.0000 0.0000 52451.4603 -109207.5329 301.4393 -161658.9932 -108838.2357 300.0091 -158.7107 -135.6350 761405.0935 6.4807 6.5985 PRESSURE: 3825600 -158.862 -75.0212 176.591 -75.0207 317.745 97.5173 176.591 97.5173 29.9637 GPRESSURE: 3825600 -132.224 -183.365 253.879 66.7848 446.285 -0.818651 64.1794 251.11 -49.199 PRESSAVG: 3825600 -28.7534 -5.33444 21.2356 -5.33443 -5.60236 29.4749 21.2356 29.4749 -16.375 GPRESSAVG: 3825600 -27.1094 -6.04568 20.8035 -3.4598 -5.8243 29.5621 20.8245 31.0368 -17.9745 TIMING: 3825600 CPU: 11951.9, 0.00312216/step Wall: 11951.9, 0.00312216/step, 1.01852 hours remaining, 233.953125 MB of memory in use. ENERGY: 3825600 3976.0242 20621.3883 14346.2151 246.4771 -203118.7398 2644.1694 0.0000 0.0000 52013.2168 -109271.2488 298.9207 -161284.4657 -108908.0491 299.3362 62.9488 88.2874 762134.9299 -16.9102 -16.9694 PRESSURE: 3825800 -205.489 -143.698 96.7683 -143.699 -118.098 -63.3046 96.7686 -63.304 -679.832 GPRESSURE: 3825800 -195.761 -27.6559 -40.8733 -96.2242 -90.8666 -88.8459 129.219 -101.951 -626.554 PRESSAVG: 3825800 -25.6493 -17.7424 31.7358 -17.7423 17.892 19.6392 31.7358 19.6392 11.1569 GPRESSAVG: 3825800 -25.9056 -17.3678 32.5734 -18.6118 17.622 18.2687 32.7933 20.1179 11.7058 TIMING: 3825800 CPU: 11952.5, 0.00312684/step Wall: 11952.5, 0.00312684/step, 1.01987 hours remaining, 233.953125 MB of memory in use. ENERGY: 3825800 4030.3796 20422.7454 14392.6548 226.6503 -203347.4121 2685.3985 0.0000 0.0000 52258.7837 -109330.7997 300.3319 -161589.5834 -108958.6189 298.9557 -334.4731 -304.3939 763773.4674 1.1332 1.1407 PRESSURE: 3826000 -63.3613 26.2836 -33.1303 26.2839 -222.002 193.764 -33.1297 193.764 -445.593 GPRESSURE: 3826000 45.3339 130.63 -90.0567 44.4044 -276.458 182.194 -88.6778 251.366 -419.236 PRESSAVG: 3826000 34.9773 -20.9833 13.014 -20.9833 -1.97499 -5.31845 13.014 -5.31839 5.99353 GPRESSAVG: 3826000 35.1422 -20.5655 12.5109 -20.795 -1.55192 -3.71844 10.7189 -6.40002 5.64462 TIMING: 3826000 CPU: 11953.1, 0.00310386/step Wall: 11953.1, 0.00310386/step, 1.0122 hours remaining, 233.953125 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: 3826000 4030.5061 20648.2908 14471.1588 255.5528 -203132.4286 2508.6784 0.0000 0.0000 51991.9259 -109226.3156 298.7983 -161218.2415 -108866.5847 299.3030 -243.6518 -216.7865 763549.7221 12.9986 13.0783 PRESSURE: 3826200 -60.0859 -42.4068 -76.5918 -42.4067 -219.717 92.4227 -76.5921 92.4232 -116.212 GPRESSURE: 3826200 -73.9888 -38.8715 -108.202 -43.1431 -157.182 52.4752 -176.419 198.28 -95.5896 PRESSAVG: 3826200 67.0183 0.133014 43.21 0.133046 -95.7174 7.23255 43.21 7.23259 -3.44245 GPRESSAVG: 3826200 66.3041 -0.80345 43.7364 0.65913 -95.2076 4.23168 45.6179 6.66166 -3.47283 TIMING: 3826200 CPU: 11953.7, 0.00310712/step Wall: 11953.7, 0.00310712/step, 1.0131 hours remaining, 233.953125 MB of memory in use. ENERGY: 3826200 4002.5945 20344.4645 14462.3692 233.7430 -203578.3451 2956.0171 0.0000 0.0000 52147.3293 -109431.8275 299.6914 -161579.1568 -109068.6430 299.4212 -132.0048 -108.9203 763085.2596 -10.7139 -10.7921 PRESSURE: 3826400 -127.881 -63.1639 -167.513 -63.1638 -243.634 72.1632 -167.512 72.1624 -41.3931 GPRESSURE: 3826400 -64.8995 -97.4337 -134.924 -28.8411 -264.243 4.5848 -150.11 -69.4113 -0.937717 PRESSAVG: 3826400 34.3978 -18.4796 -30.6538 -18.4795 -17.2632 2.78634 -30.6539 2.78631 16.123 GPRESSAVG: 3826400 35.7561 -16.6965 -32.1612 -20.7329 -18.8015 3.52888 -31.2934 7.1886 16.284 TIMING: 3826400 CPU: 11954.4, 0.0031173/step Wall: 11954.4, 0.0031173/step, 1.01624 hours remaining, 233.953125 MB of memory in use. ENERGY: 3826400 3996.7563 20485.9503 14367.1038 255.0964 -203244.4098 2667.9445 0.0000 0.0000 52043.2155 -109428.3430 299.0931 -161471.5585 -109073.7944 299.1633 -137.6359 -110.0268 763360.3016 11.0859 11.0795 PRESSURE: 3826600 228.881 78.2426 60.1154 78.2423 42.6639 88.8896 60.1145 88.8895 21.1669 GPRESSURE: 3826600 178.895 46.1355 86.32 -37.6146 205.189 52.4128 48.6144 6.76453 -9.6769 PRESSAVG: 3826600 29.2967 -2.79696 -14.7314 -2.797 -35.8373 -15.909 -14.7314 -15.909 -11.3257 GPRESSAVG: 3826600 27.3129 -3.25371 -13.1704 -1.99747 -34.4719 -15.4282 -13.1754 -21.9056 -10.852 TIMING: 3826600 CPU: 11955, 0.00312663/step Wall: 11955, 0.00312663/step, 1.01911 hours remaining, 233.953125 MB of memory in use. ENERGY: 3826600 3955.9892 20594.6873 14367.0940 250.1046 -203961.7000 3126.5441 0.0000 0.0000 52180.2841 -109486.9967 299.8808 -161667.2808 -109129.9876 298.9308 97.5705 124.8024 761837.8631 -5.9554 -6.0037 PRESSURE: 3826800 -28.262 -83.9414 -77.2183 -83.9414 141.113 -240.048 -77.2184 -240.048 -10.4249 GPRESSURE: 3826800 -76.6788 -89.5235 -152.678 -24.8254 223.359 -95.3952 -138.771 -182.04 44.8552 PRESSAVG: 3826800 -5.40163 -26.3109 -18.378 -26.3109 -10.4964 -45.4109 -18.378 -45.4109 10.5892 GPRESSAVG: 3826800 -3.6923 -27.4683 -19.9326 -26.0987 -11.3499 -45.229 -17.2356 -42.9466 9.64305 TIMING: 3826800 CPU: 11955.6, 0.00315673/step Wall: 11955.6, 0.00315673/step, 1.02874 hours remaining, 233.953125 MB of memory in use. ENERGY: 3826800 3995.4258 20653.8753 14407.1105 250.2841 -203205.1718 2761.1987 0.0000 0.0000 51834.0532 -109303.2242 297.8910 -161137.2775 -108949.2151 299.6719 34.1420 63.8452 762021.0924 -1.7696 -1.7997 PRESSURE: 3827000 -437.69 96.9165 4.08859 96.9164 73.4498 -56.413 4.08739 -56.4129 11.0188 GPRESSURE: 3827000 -312.559 114.96 17.3543 120.319 -25.0786 7.02399 126.138 -23.1553 51.293 PRESSAVG: 3827000 -10.1751 0.539534 -21.1603 0.539557 -2.23319 35.1599 -21.1603 35.1598 -0.748446 GPRESSAVG: 3827000 -10.9301 2.14236 -19.5931 -0.631948 -1.99122 34.3447 -23.3379 36.7308 -0.029603 TIMING: 3827000 CPU: 11956.2, 0.00314057/step Wall: 11956.2, 0.00314057/step, 1.0233 hours remaining, 233.953125 MB of memory in use. ENERGY: 3827000 3988.3058 20595.2426 14375.2472 218.2731 -203087.8885 2349.4700 0.0000 0.0000 52136.5648 -109424.7851 299.6296 -161561.3499 -109059.5746 298.7973 -117.7403 -95.4481 763626.7705 -4.3856 -4.3170 PRESSURE: 3827200 -27.1306 -122.412 -62.5995 -122.413 -71.8142 -126.106 -62.5996 -126.106 -357.653 GPRESSURE: 3827200 25.6699 -127.076 -65.9342 -41.0785 -60.511 -178.687 -190.509 -75.675 -324.872 PRESSAVG: 3827200 2.69055 -8.09539 -41.3177 -8.09541 0.653995 1.14251 -41.3176 1.14252 -8.69439 GPRESSAVG: 3827200 3.1939 -8.45262 -41.4335 -5.67338 0.837316 2.59407 -42.6941 -0.861925 -9.84828 TIMING: 3827200 CPU: 11956.9, 0.00314227/step Wall: 11956.9, 0.00314227/step, 1.02368 hours remaining, 233.941406 MB of memory in use. ENERGY: 3827200 3956.6588 20484.0054 14399.7883 234.6122 -203309.4634 2645.3277 0.0000 0.0000 51950.7421 -109638.3290 298.5616 -161589.0711 -109287.4671 298.6733 -152.1993 -119.9043 763406.0228 -1.7833 -1.9390 PRESSURE: 3827400 -271.068 -95.8674 -152.019 -95.8675 -203.327 -114.879 -152.019 -114.879 -15.1333 GPRESSURE: 3827400 -305.546 -26.2001 -190.807 -72.8985 -110.468 -114.368 -190.072 90.1319 16.7043 PRESSAVG: 3827400 59.535 -5.6733 -3.59639 -5.67328 -43.634 10.5773 -3.59642 10.5773 7.00927 GPRESSAVG: 3827400 59.6788 -5.07189 -3.62861 -7.22946 -43.9502 9.96866 -1.8983 12.4604 7.03044 TIMING: 3827400 CPU: 11957.5, 0.00312861/step Wall: 11957.5, 0.00312861/step, 1.01906 hours remaining, 233.941406 MB of memory in use. ENERGY: 3827400 3916.5374 20560.9572 14449.9194 217.6257 -202807.3509 2142.1496 0.0000 0.0000 51910.2664 -109609.8951 298.3290 -161520.1615 -109244.0754 298.7476 -163.1761 -133.1030 763418.4542 7.6367 7.5864 PRESSURE: 3827600 54.4245 85.7937 170.819 85.793 157.437 -180.582 170.819 -180.582 -116.817 GPRESSURE: 3827600 45.812 58.8812 167.289 122.204 198.063 -276.911 97.9234 -222.185 -68.7621 PRESSAVG: 3827600 9.52592 -66.1488 35.9051 -66.1489 35.7677 41.1478 35.905 41.1478 -24.1855 GPRESSAVG: 3827600 7.41811 -69.6983 34.4425 -64.7205 37.0219 40.6322 35.8763 39.6927 -23.6578 TIMING: 3827600 CPU: 11958.1, 0.00312714/step Wall: 11958.1, 0.00312714/step, 1.01841 hours remaining, 233.941406 MB of memory in use. ENERGY: 3827600 3964.8561 20475.7838 14480.7771 254.7595 -203110.9635 2560.8664 0.0000 0.0000 51946.3063 -109427.6142 298.5361 -161373.9206 -109064.2530 299.1751 31.6815 58.3710 762665.3676 7.0360 6.9274 PRESSURE: 3827800 151.624 52.6502 -220.641 52.6492 -180.036 -5.58304 -220.642 -5.58257 132.632 GPRESSURE: 3827800 61.1716 -1.12119 -170.208 0.180434 -60.2437 6.76882 -200.65 23.3475 171.834 PRESSAVG: 3827800 -47.6305 14.2513 34.6551 14.2513 19.8859 -32.6579 34.655 -32.6579 17.0392 GPRESSAVG: 3827800 -46.3776 16.0359 35.8383 13.6296 18.1894 -32.7367 32.9428 -31.9956 17.1208 TIMING: 3827800 CPU: 11958.7, 0.00313012/step Wall: 11958.7, 0.00313012/step, 1.0192 hours remaining, 233.953125 MB of memory in use. ENERGY: 3827800 3866.9723 20480.0174 14402.9505 248.2960 -203299.4447 2524.8100 0.0000 0.0000 52400.4283 -109375.9702 301.1460 -161776.3985 -109012.5658 298.9112 34.7399 57.5873 760593.0007 -3.5684 -3.6891 PRESSURE: 3828000 -103.872 130.947 -59.7065 130.948 7.01429 186.156 -59.706 186.156 -189.119 GPRESSURE: 3828000 -20.1745 97.6729 25.6209 168.965 -69.9317 155.055 -10.513 122.577 -121.311 PRESSAVG: 3828000 -4.02099 -21.226 2.034 -21.226 -37.0225 -18.2637 2.03406 -18.2637 21.1612 GPRESSAVG: 3828000 -5.87904 -21.1577 1.22452 -21.6857 -36.1053 -18.3318 2.26457 -19.2706 22.0589 TIMING: 3828000 CPU: 11959.4, 0.0031079/step Wall: 11959.4, 0.0031079/step, 1.0118 hours remaining, 233.953125 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: 3828000 3981.2972 20604.0599 14370.9196 239.4726 -203360.7746 2662.9921 0.0000 0.0000 52297.2916 -109204.7417 300.5533 -161502.0333 -108841.4942 299.3988 -95.3258 -70.4725 764083.5947 -6.6274 -6.6418 PRESSURE: 3828200 -47.8273 -17.7964 22.0406 -17.7967 133.359 -100.289 22.0404 -100.29 163.459 GPRESSURE: 3828200 -45.1085 -34.5344 -41.0982 -40.9789 169.289 -57.2251 75.8059 -0.979033 207.378 PRESSAVG: 3828200 -26.6157 -3.16432 -52.3927 -3.16439 46.7293 21.8385 -52.3927 21.8386 5.55193 GPRESSAVG: 3828200 -25.8785 -2.9945 -53.5263 -2.91676 47.2956 20.9261 -51.6835 22.843 4.52015 TIMING: 3828200 CPU: 11960, 0.00311436/step Wall: 11960, 0.00311436/step, 1.01372 hours remaining, 233.953125 MB of memory in use. ENERGY: 3828200 3927.3058 20534.8645 14411.9297 259.7073 -203064.9983 2615.1194 0.0000 0.0000 52059.1616 -109256.9101 299.1847 -161316.0717 -108894.0201 298.8874 82.9967 110.5197 763959.3039 8.5552 8.6458 LDB: ============= START OF LOAD BALANCING ============== 11972.5 LDB: ============== END OF LOAD BALANCING =============== 11972.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11972.5 LDB: ============= START OF LOAD BALANCING ============== 11972.8 LDB: Largest compute 7077 load 0.028469 is 14.6% of average load 0.195316 LDB: Average compute 0.004350 is 2.2% of average load 0.195316 LDB: TIME 11972.8 LOAD: AVG 0.195316 MAX 0.216971 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.801 MB LDB: TIME 11972.8 LOAD: AVG 0.195316 MAX 0.216971 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.969 MB LDB: TIME 11972.8 LOAD: AVG 0.195316 MAX 0.216971 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.969 MB LDB: ============== END OF LOAD BALANCING =============== 11972.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11972.8 PRESSURE: 3828400 -279.796 -154.376 -184.897 -154.377 0.9442 126.875 -184.898 126.875 204.104 GPRESSURE: 3828400 -163.267 -115.343 -71.0488 -234.464 -1.21261 196.741 -25.8104 70.337 159.346 PRESSAVG: 3828400 14.303 -8.72668 21.5973 -8.72665 -21.4244 -30.2798 21.5972 -30.2799 -11.6204 GPRESSAVG: 3828400 15.4955 -8.4307 22.5415 -9.98078 -22.2446 -28.8763 23.1914 -31.3772 -11.692 TIMING: 3828400 CPU: 11960.6, 0.00322178/step Wall: 11960.6, 0.00322178/step, 1.04851 hours remaining, 234.492188 MB of memory in use. ENERGY: 3828400 3971.7385 20485.7816 14405.2184 235.9153 -203104.2370 2537.8480 0.0000 0.0000 52220.3792 -109247.3559 300.1112 -161467.7351 -108876.9538 299.2673 -24.9160 -1.7110 764936.5841 -6.2473 -6.1470 PRESSURE: 3828600 -300.566 -47.6849 242.347 -47.6854 -227.036 -50.9547 242.347 -50.955 47.0439 GPRESSURE: 3828600 -266.007 -61.0095 192.084 -6.34956 -212.618 -34.3874 368.081 -3.77055 89.351 PRESSAVG: 3828600 30.4614 -61.7576 2.00471 -61.7576 -40.0074 11.1187 2.00476 11.1186 -17.796 GPRESSAVG: 3828600 29.4555 -62.8758 3.04706 -60.4613 -39.8194 10.3448 1.19478 11.5803 -17.6464 TIMING: 3828600 CPU: 11961.3, 0.00313287/step Wall: 11961.3, 0.00313287/step, 1.0194 hours remaining, 235.453125 MB of memory in use. ENERGY: 3828600 4001.2898 20573.6486 14498.9031 241.1353 -203247.1193 2947.6633 0.0000 0.0000 51885.4861 -109098.9933 298.1866 -160984.4793 -108732.9205 299.4016 -160.1860 -129.7579 766730.0132 -9.1140 -9.3368 PRESSURE: 3828800 64.3142 221.123 228.777 221.122 -49.5503 -194.627 228.777 -194.627 -28.8759 GPRESSURE: 3828800 35.5773 238.162 203.252 150.463 24.3864 -193.921 97.6471 -189.962 9.53496 PRESSAVG: 3828800 3.0342 -52.2859 57.7372 -52.2859 -55.3746 20.5724 57.7372 20.5724 15.5199 GPRESSAVG: 3828800 4.35341 -52.6815 55.6976 -50.9537 -55.3912 20.9922 58.5549 18.4431 14.0211 TIMING: 3828800 CPU: 11961.9, 0.0031646/step Wall: 11961.9, 0.0031646/step, 1.02955 hours remaining, 235.453125 MB of memory in use. ENERGY: 3828800 3967.8622 20468.4169 14368.7773 266.5247 -203622.4465 3228.9139 0.0000 0.0000 52145.4480 -109176.5035 299.6806 -161321.9514 -108817.3184 299.1831 -4.7040 23.1662 763457.8437 -12.2735 -12.3389 PRESSURE: 3829000 -245.956 -147.561 79.6363 -147.562 -217.205 -194.194 79.6364 -194.192 -92.8537 GPRESSURE: 3829000 -228.092 -86.6285 126.899 -138.591 -180.393 -177.095 98.3343 -47.283 -68.8633 PRESSAVG: 3829000 -11.3934 -39.0995 69.54 -39.0995 -4.99639 -10.9289 69.5399 -10.9289 -19.5011 GPRESSAVG: 3829000 -13.3442 -37.4411 70.0217 -40.7485 -3.97291 -11.7644 67.4855 -7.36355 -18.369 TIMING: 3829000 CPU: 11962.5, 0.00315958/step Wall: 11962.5, 0.00315958/step, 1.02774 hours remaining, 235.464844 MB of memory in use. ENERGY: 3829000 4003.8272 20545.1325 14395.4290 249.4035 -203236.8204 2672.8570 0.0000 0.0000 52300.0486 -109070.1226 300.5691 -161370.1712 -108713.2600 299.5132 -185.3381 -159.1162 763870.2036 -11.9636 -11.8954 PRESSURE: 3829200 -179.987 -108.74 -110.745 -108.74 -47.8034 -110.328 -110.746 -110.329 160.207 GPRESSURE: 3829200 -144.055 -213.648 -132.453 -139.548 2.2282 -124.888 -123.195 -17.516 148.782 PRESSAVG: 3829200 -1.42796 -62.714 30.1987 -62.7139 -31.5589 -48.8519 30.1987 -48.8519 17.8465 GPRESSAVG: 3829200 0.0451198 -64.5334 30.9473 -63.3183 -32.7182 -48.989 31.0532 -49.3451 17.2564 TIMING: 3829200 CPU: 11963.2, 0.00314599/step Wall: 11963.2, 0.00314599/step, 1.02315 hours remaining, 235.464844 MB of memory in use. ENERGY: 3829200 3943.3947 20611.4738 14453.7784 263.5633 -202957.5035 2460.4647 0.0000 0.0000 52255.9621 -108968.8665 300.3157 -161224.8287 -108601.8665 299.6947 -22.5276 2.3185 763273.6580 -5.0468 -5.1389 PRESSURE: 3829400 -191.895 100.167 23.0532 100.167 -352.959 238.009 23.0523 238.008 -25.7486 GPRESSURE: 3829400 -172.268 160.92 23.4862 15.8508 -356.132 239.159 -11.2658 170.31 40.2139 PRESSAVG: 3829400 8.0693 -67.7878 -16.2613 -67.7878 -51.4338 37.9427 -16.2613 37.9427 2.80387 GPRESSAVG: 3829400 7.76963 -66.6085 -16.2598 -66.3596 -51.4762 37.9153 -15.7388 35.5215 2.76121 TIMING: 3829400 CPU: 11963.8, 0.00315301/step Wall: 11963.8, 0.00315301/step, 1.02525 hours remaining, 235.464844 MB of memory in use. ENERGY: 3829400 4022.6215 20501.7676 14396.3575 266.4709 -203076.8854 2603.6663 0.0000 0.0000 52271.8946 -109014.1071 300.4073 -161286.0017 -108652.4897 299.7847 -190.2007 -162.7289 763452.2903 -13.5202 -13.6485 PRESSURE: 3829600 -298.703 53.8337 179.77 53.8346 -267.84 -244.365 179.769 -244.366 -546.817 GPRESSURE: 3829600 -281.964 79.3093 271.264 60.6161 -260.922 -252.168 60.9486 -316.203 -483.183 PRESSAVG: 3829600 44.4355 -54.0592 33.6619 -54.0592 -35.2336 2.17072 33.662 2.1708 -17.4268 GPRESSAVG: 3829600 44.0784 -54.5182 34.019 -55.5573 -34.7045 1.82383 32.5513 5.49022 -17.8302 TIMING: 3829600 CPU: 11964.4, 0.00314201/step Wall: 11964.4, 0.00314201/step, 1.0215 hours remaining, 235.464844 MB of memory in use. ENERGY: 3829600 3995.8390 20569.5274 14458.1318 236.2068 -202165.4588 1922.6078 0.0000 0.0000 51995.4337 -108987.7122 298.8185 -160983.1459 -108626.9782 299.8894 -371.1200 -342.0229 763782.5157 -2.7416 -2.8188 PRESSURE: 3829800 44.8216 84.5771 -134.71 84.5778 -376.884 16.9178 -134.709 16.9176 101.879 GPRESSURE: 3829800 116.096 68.1806 -100.095 83.3872 -309.061 66.1588 -177.603 -121.555 49.6096 PRESSAVG: 3829800 17.0301 -28.1965 9.59233 -28.1965 -8.92138 -18.4933 9.59235 -18.4933 0.617371 GPRESSAVG: 3829800 16.5522 -27.3663 8.36978 -27.5031 -9.2425 -18.3924 10.1755 -21.0489 0.853818 TIMING: 3829800 CPU: 11965, 0.00312241/step Wall: 11965, 0.00312241/step, 1.01496 hours remaining, 235.464844 MB of memory in use. ENERGY: 3829800 3991.2241 20460.4512 14406.7790 232.5165 -203216.6555 2770.8227 0.0000 0.0000 52242.0513 -109112.8107 300.2358 -161354.8620 -108745.4121 299.9191 -76.7275 -47.7852 763566.0761 2.9087 2.7212 PRESSURE: 3830000 -77.55 -126.902 101.985 -126.902 1.33732 213.307 101.985 213.308 272.098 GPRESSURE: 3830000 -79.2834 -82.3942 102.42 -221.988 0.304405 247.32 33.3599 249.57 341.36 PRESSAVG: 3830000 25.5096 -36.9391 -51.2598 -36.9391 -11.5794 -15.6276 -51.2598 -15.6276 -7.55837 GPRESSAVG: 3830000 25.2832 -37.864 -49.9876 -37.7753 -11.9117 -14.0471 -52.0502 -15.5545 -7.25712 TIMING: 3830000 CPU: 11965.7, 0.00312812/step Wall: 11965.7, 0.00312812/step, 1.01664 hours remaining, 235.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3830000 3919.4467 20567.8945 14512.7175 240.1412 -203242.1696 2722.5059 0.0000 0.0000 52125.2298 -109154.2339 299.5644 -161279.4638 -108784.9533 299.4077 65.2951 87.4604 764354.1901 2.1239 2.0381 PRESSURE: 3830200 -53.6657 -56.1655 -35.2746 -56.1657 -67.3257 306.352 -35.2748 306.352 8.04069 GPRESSURE: 3830200 -106.763 -31.1937 -83.7884 4.73036 9.15425 279.742 5.56735 274.758 78.2435 PRESSAVG: 3830200 -22.3301 -41.1029 -22.5934 -41.1029 52.3699 -13.4309 -22.5933 -13.4309 -0.480078 GPRESSAVG: 3830200 -22.9066 -39.0737 -23.8503 -41.4186 53.5489 -15.1477 -22.6845 -12.0061 -1.49147 TIMING: 3830200 CPU: 11966.3, 0.00313866/step Wall: 11966.3, 0.00313866/step, 1.01989 hours remaining, 235.464844 MB of memory in use. ENERGY: 3830200 3956.5412 20739.5737 14436.2260 257.0115 -203342.9248 2863.6353 0.0000 0.0000 52030.6614 -109059.2757 299.0209 -161089.9371 -108694.9081 299.6251 -37.6502 -6.4551 762483.5128 9.8532 9.7169 PRESSURE: 3830400 -309.124 19.1711 281.038 19.1719 76.44 13.1362 281.038 13.1357 -131.523 GPRESSURE: 3830400 -275.234 73.5251 190.913 13.786 65.8293 13.4335 386.2 23.7295 -70.4801 PRESSAVG: 3830400 -3.37279 -20.7636 -40.2013 -20.7637 29.578 -43.6528 -40.2013 -43.6528 6.18682 GPRESSAVG: 3830400 -2.64758 -21.6267 -39.4646 -19.288 28.3866 -43.2141 -40.9279 -43.8071 6.39236 TIMING: 3830400 CPU: 11966.9, 0.00312258/step Wall: 11966.9, 0.00312258/step, 1.01449 hours remaining, 235.464844 MB of memory in use. ENERGY: 3830400 4003.0558 20741.8514 14336.8476 246.4739 -202902.8300 2397.1290 0.0000 0.0000 52223.6499 -108953.8223 300.1300 -161177.4722 -108588.0540 300.2166 -121.4023 -93.2950 764207.1414 10.7973 10.7105 PRESSURE: 3830600 4.57096 24.8175 -243.018 24.817 205.671 -193.794 -243.019 -193.795 -59.9541 GPRESSURE: 3830600 10.1433 1.56208 -200.568 -53.9128 200.257 -224.056 -162.815 -204.67 5.13854 PRESSAVG: 3830600 -21.5912 9.36275 4.43149 9.36274 -12.3266 -16.345 4.43147 -16.345 5.03988 GPRESSAVG: 3830600 -22.2465 9.07663 5.45349 7.08243 -13.0326 -17.1468 4.80046 -16.8088 6.01644 TIMING: 3830600 CPU: 11967.5, 0.00313587/step Wall: 11967.5, 0.00313587/step, 1.01864 hours remaining, 235.464844 MB of memory in use. ENERGY: 3830600 4056.5384 20719.2451 14385.1952 236.7920 -203445.1685 2853.5584 0.0000 0.0000 52229.6206 -108964.2189 300.1643 -161193.8395 -108592.1569 300.5255 50.0959 71.8462 764114.6801 -9.6260 -9.7542 PRESSURE: 3830800 43.9189 2.10621 -19.1043 2.10657 -228.388 7.52823 -19.1047 7.52751 -87.4846 GPRESSURE: 3830800 -24.0015 -13.1058 -12.6656 -27.0939 -137.69 -26.6038 -68.1573 -77.782 -20.3779 PRESSAVG: 3830800 -44.06 18.7768 -0.138181 18.7768 51.7082 -14.0207 -0.138241 -14.0207 -16.6779 GPRESSAVG: 3830800 -44.5421 19.8596 -0.265329 21.0147 52.8373 -13.4912 1.30997 -11.7441 -17.3548 TIMING: 3830800 CPU: 11968.2, 0.00311873/step Wall: 11968.2, 0.00311873/step, 1.01289 hours remaining, 235.464844 MB of memory in use. ENERGY: 3830800 4012.8355 20626.6541 14338.6193 226.3385 -202922.4553 2441.6352 0.0000 0.0000 52285.5871 -108990.7856 300.4860 -161276.3727 -108638.3522 300.2599 -90.6514 -60.6897 764927.6764 -3.0099 -3.0199 PRESSURE: 3831000 -132.639 301.854 -119.519 301.854 -225.915 -74.7107 -119.519 -74.7103 -328.085 GPRESSURE: 3831000 -63.7754 195.151 -128.33 276.33 -155.053 8.7786 118.811 -38.3424 -382.413 PRESSAVG: 3831000 1.6196 -6.08531 15.7855 -6.08534 -6.8726 39.9062 15.7855 39.9062 5.18191 GPRESSAVG: 3831000 1.93824 -8.07099 16.1628 -4.75282 -5.50506 39.3409 15.4371 38.0907 3.75559 TIMING: 3831000 CPU: 11968.8, 0.00312375/step Wall: 11968.8, 0.00312375/step, 1.01435 hours remaining, 235.464844 MB of memory in use. ENERGY: 3831000 4126.6900 20602.5383 14368.0016 234.3954 -203120.6312 2603.1669 0.0000 0.0000 52255.4048 -108930.4343 300.3125 -161185.8391 -108569.4468 300.5952 -228.8798 -200.4138 764654.2684 -0.0237 0.0629 PRESSURE: 3831200 -18.2603 48.881 -189.721 48.8809 257.271 -43.9858 -189.72 -43.9861 -147.348 GPRESSURE: 3831200 53.4814 75.4135 -180.678 149.308 334.836 9.88615 -181.53 51.0219 -195.777 PRESSAVG: 3831200 -9.453 -4.61731 3.05543 -4.61736 0.920419 5.17522 3.05546 5.17518 5.51666 GPRESSAVG: 3831200 -9.33836 -4.35654 0.686411 -5.44072 0.632253 6.2538 5.02486 5.11778 5.48177 TIMING: 3831200 CPU: 11969.4, 0.00311307/step Wall: 11969.4, 0.00311307/step, 1.01071 hours remaining, 235.464844 MB of memory in use. ENERGY: 3831200 3993.4303 20529.2740 14365.7496 238.9978 -203095.7859 2788.0872 0.0000 0.0000 52125.1490 -109055.0981 299.5639 -161180.2471 -108694.2032 300.1389 30.5542 64.1803 763247.2387 -1.0053 -1.0748 PRESSURE: 3831400 -338.587 140.349 70.9498 140.349 -1.43453 80.6051 70.95 80.6064 -0.0652315 GPRESSURE: 3831400 -239.216 98.6391 63.6625 88.7419 5.77936 -19.5417 -75.1628 18.2503 -11.1597 PRESSAVG: 3831400 -4.89285 30.1996 7.95629 30.1997 26.6117 -32.3856 7.95633 -32.3856 -11.7535 GPRESSAVG: 3831400 -4.96688 31.7705 8.63082 31.1063 25.4989 -34.0537 3.77612 -31.6892 -9.97662 TIMING: 3831400 CPU: 11970, 0.00313266/step Wall: 11970, 0.00313266/step, 1.0169 hours remaining, 235.464844 MB of memory in use. ENERGY: 3831400 4095.9690 20761.4415 14401.9449 260.5087 -203293.5998 2647.7193 0.0000 0.0000 52039.8682 -109086.1482 299.0738 -161126.0164 -108740.5197 299.7188 -113.3621 -81.5322 763159.1949 3.3218 3.5185 PRESSURE: 3831600 -301.093 281.557 180.107 281.557 -24.6801 181.525 180.108 181.525 79.3223 GPRESSURE: 3831600 -280.334 355.194 173.297 239.169 62.5466 209.397 125.216 135.412 61.1641 PRESSAVG: 3831600 -19.4938 25.3675 63.1009 25.3675 39.5386 13.0743 63.1009 13.0743 2.06939 GPRESSAVG: 3831600 -18.5013 25.4931 63.6705 24.6828 38.2856 13.2826 64.5331 12.3854 1.86938 TIMING: 3831600 CPU: 11970.7, 0.0031202/step Wall: 11970.7, 0.0031202/step, 1.01268 hours remaining, 235.464844 MB of memory in use. ENERGY: 3831600 4010.0674 20548.8129 14402.3901 247.1756 -203052.5151 2659.7801 0.0000 0.0000 52042.4578 -109141.8312 299.0887 -161184.2891 -108776.9313 299.7987 -82.1503 -52.2077 764103.2171 7.3714 7.2179 PRESSURE: 3831800 205.796 -52.1217 -103.262 -52.1218 -139.96 -63.6776 -103.262 -63.6767 157.965 GPRESSURE: 3831800 216.005 -8.29115 -57.5525 22.1962 -38.9694 1.70538 -142.862 101.612 140.085 PRESSAVG: 3831800 -23.0557 20.3167 -49.5794 20.3167 29.7095 13.6348 -49.5794 13.6348 -27.3298 GPRESSAVG: 3831800 -22.2987 19.6199 -48.752 19.985 29.9702 13.7502 -49.4439 14.9633 -28.6154 TIMING: 3831800 CPU: 11971.3, 0.00313/step Wall: 11971.3, 0.00313/step, 1.01568 hours remaining, 235.464844 MB of memory in use. ENERGY: 3831800 4095.9848 20615.4848 14398.2720 229.5477 -203186.5170 2759.1329 0.0000 0.0000 52181.1553 -108906.9394 299.8858 -161088.0948 -108553.3019 300.2703 74.6002 105.7068 763085.7748 -6.8920 -6.9813 PRESSURE: 3832000 -245.753 41.8195 -143.815 41.8193 250.558 -232.626 -143.815 -232.627 -128.372 GPRESSURE: 3832000 -198.943 39.1666 -173.04 53.7885 229.521 -196.138 -153.259 -205.648 -60.3344 PRESSAVG: 3832000 -16.0226 14.7435 -67.462 14.7436 9.03488 32.161 -67.462 32.161 25.1884 GPRESSAVG: 3832000 -17.5072 14.378 -68.9647 14.184 10.1217 32.7711 -65.9668 29.6094 25.9828 TIMING: 3832000 CPU: 11971.9, 0.0031418/step Wall: 11971.9, 0.0031418/step, 1.01934 hours remaining, 235.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3832000 3966.7895 20588.4032 14450.8192 255.7528 -203159.2998 2677.1972 0.0000 0.0000 52140.3507 -109079.9872 299.6513 -161220.3379 -108712.0571 299.7272 -41.1892 -9.9189 762815.3563 6.0669 6.1991 PRESSURE: 3832200 -35.6432 137.515 -251.982 137.515 -69.9991 91.9063 -251.983 91.9063 99.0178 GPRESSURE: 3832200 -27.8703 66.59 -177.474 123.383 -11.8607 17.5293 -199.994 97.5508 118.152 PRESSAVG: 3832200 23.2283 53.8026 -45.4356 53.8026 -27.3724 13.8002 -45.4357 13.8002 -4.97777 GPRESSAVG: 3832200 24.0677 54.5073 -45.0779 54.8568 -28.2332 13.6913 -47.2964 14.3632 -5.0682 TIMING: 3832200 CPU: 11972.5, 0.00314749/step Wall: 11972.5, 0.00314749/step, 1.02101 hours remaining, 235.464844 MB of memory in use. ENERGY: 3832200 3964.9428 20603.9793 14340.9250 227.2333 -203126.5041 2731.1405 0.0000 0.0000 52298.8354 -108959.4477 300.5621 -161258.2831 -108598.3460 299.9072 -2.2082 26.1405 761947.5591 -3.0406 -3.0779 LDB: ============= START OF LOAD BALANCING ============== 11985 LDB: ============== END OF LOAD BALANCING =============== 11985 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11985 LDB: ============= START OF LOAD BALANCING ============== 11985.3 LDB: Largest compute 7057 load 0.029688 is 15.2% of average load 0.195352 LDB: Average compute 0.004375 is 2.2% of average load 0.195352 LDB: TIME 11985.3 LOAD: AVG 0.195352 MAX 0.214753 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.539 MB LDB: TIME 11985.3 LOAD: AVG 0.195352 MAX 0.214753 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.539 MB LDB: TIME 11985.3 LOAD: AVG 0.195352 MAX 0.214753 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.539 MB LDB: ============== END OF LOAD BALANCING =============== 11985.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11985.3 PRESSURE: 3832400 84.397 -52.8975 230.295 -52.8981 357.633 -130.739 230.295 -130.739 336.8 GPRESSURE: 3832400 189.303 -56.7353 160.895 -36.9257 431.305 -84.3103 123.547 -55.6485 251.354 PRESSAVG: 3832400 42.7669 -33.9577 -46.9335 -33.9576 -4.60644 -38.8709 -46.9335 -38.8709 14.4039 GPRESSAVG: 3832400 43.9936 -34.6648 -47.0721 -32.7469 -4.10048 -37.6693 -47.288 -38.3305 12.8697 TIMING: 3832400 CPU: 11973.2, 0.0031885/step Wall: 11973.2, 0.0031885/step, 1.03414 hours remaining, 234.414062 MB of memory in use. ENERGY: 3832400 4001.3378 20410.0318 14434.0411 258.8889 -203708.8624 3295.2737 0.0000 0.0000 52218.0692 -109091.2199 300.0980 -161309.2891 -108727.3663 300.4791 259.6101 290.6540 762546.8282 17.5215 17.5876 PRESSURE: 3832600 30.1629 -204.427 -5.13477 -204.427 -115.13 144.195 -5.13467 144.196 -56.4033 GPRESSURE: 3832600 36.5278 -240.306 -109.057 -198.802 -71.7591 100.499 131.37 41.4566 -31.2813 PRESSAVG: 3832600 12.1808 -34.7746 -50.1436 -34.7746 18.5919 36.3598 -50.1436 36.3598 -2.19217 GPRESSAVG: 3832600 11.4534 -34.809 -49.532 -34.5706 18.3358 34.541 -50.9905 37.9462 -0.887051 TIMING: 3832600 CPU: 11973.8, 0.00314292/step Wall: 11973.8, 0.00314292/step, 1.01918 hours remaining, 234.675781 MB of memory in use. ENERGY: 3832600 4024.5905 20746.6809 14334.4613 244.2983 -203422.1202 2862.6955 0.0000 0.0000 52075.2592 -109134.1346 299.2772 -161209.3938 -108777.7772 299.5525 -47.1236 -22.1708 763126.3042 9.5268 9.6340 PRESSURE: 3832800 -289.155 -61.8543 145.998 -61.8541 42.7383 209.215 145.998 209.215 -87.8635 GPRESSURE: 3832800 -156.99 -90.2045 153.7 -119.997 50.0115 150.501 74.9868 138.487 -141.394 PRESSAVG: 3832800 4.46111 -21.104 -19.7184 -21.104 -19.4967 -1.33815 -19.7185 -1.33814 -13.2123 GPRESSAVG: 3832800 5.3859 -21.5877 -21.1119 -22.2116 -20.5819 -1.42732 -17.4574 -5.74408 -12.389 TIMING: 3832800 CPU: 11974.4, 0.00313459/step Wall: 11974.4, 0.00313459/step, 1.0163 hours remaining, 234.675781 MB of memory in use. ENERGY: 3832800 3964.1398 20532.2205 14385.5932 235.0602 -203538.9021 2965.6295 0.0000 0.0000 52350.2436 -109106.0153 300.8576 -161456.2590 -108731.5116 299.9035 -111.4267 -82.7909 761481.9731 -9.4160 -9.1950 PRESSURE: 3833000 149.774 28.3606 53.1337 28.3602 255.518 14.5616 53.1341 14.5618 -341.884 GPRESSURE: 3833000 229.894 34.9005 72.3317 40.0303 266.258 -13.0848 140.32 36.869 -351.798 PRESSAVG: 3833000 -68.3045 -46.7906 1.0715 -46.7906 55.9048 -24.6791 1.0715 -24.6792 -9.99634 GPRESSAVG: 3833000 -69.0126 -44.1156 2.09862 -48.4176 56.874 -24.5595 -0.4474 -21.4984 -10.7484 TIMING: 3833000 CPU: 11975.1, 0.00312287/step Wall: 11975.1, 0.00312287/step, 1.01233 hours remaining, 234.675781 MB of memory in use. ENERGY: 3833000 4056.1075 20807.7691 14430.8073 258.2061 -203399.8371 2705.2152 0.0000 0.0000 52178.9256 -108962.8062 299.8730 -161141.7318 -108602.6348 299.6730 21.1359 48.1180 761377.5933 -7.4653 -7.6290 PRESSURE: 3833200 -140.939 -58.0924 -59.8323 -58.0916 130.54 112.228 -59.8312 112.229 -421.82 GPRESSURE: 3833200 -89.3065 -167.797 32.518 -58.1719 146.156 81.4359 -50.2453 124.71 -406.375 PRESSAVG: 3833200 -20.0589 -87.0884 -37.7728 -87.0884 35.3266 -22.452 -37.7728 -22.452 32.95 GPRESSAVG: 3833200 -20.4771 -89.6048 -36.3096 -84.6616 35.6935 -23.3932 -36.665 -21.8356 32.7824 TIMING: 3833200 CPU: 11975.7, 0.00313192/step Wall: 11975.7, 0.00313192/step, 1.01509 hours remaining, 234.675781 MB of memory in use. ENERGY: 3833200 4092.5139 20652.5080 14466.2795 262.2979 -203405.4024 2955.3033 0.0000 0.0000 51996.9857 -108979.5140 298.8274 -160976.4997 -108625.4590 299.8746 -144.0730 -116.5085 763703.9596 16.0726 15.9996 PRESSURE: 3833400 1.20808 -48.8857 -56.3511 -48.8842 47.853 25.6318 -56.3504 25.6305 -132.928 GPRESSURE: 3833400 97.2443 2.3378 -16.7404 -135.941 -13.6839 -42.8833 -188.498 73.7392 -77.8399 PRESSAVG: 3833400 -59.134 -42.1336 -6.14142 -42.1336 10.3537 -56.1944 -6.14138 -56.1944 -15.1027 GPRESSAVG: 3833400 -57.9856 -41.85 -7.76776 -43.154 8.6778 -56.0777 -6.79964 -56.5663 -14.7766 TIMING: 3833400 CPU: 11976.3, 0.00313839/step Wall: 11976.3, 0.00313839/step, 1.01701 hours remaining, 234.675781 MB of memory in use. ENERGY: 3833400 4021.1301 20451.5769 14464.5606 249.0137 -203226.6636 2865.3633 0.0000 0.0000 52124.0138 -109051.0051 299.5574 -161175.0189 -108678.7920 299.7666 -27.9557 1.9068 762936.4993 -21.2943 -21.3615 PRESSURE: 3833600 -135.535 -201.423 -106.052 -201.423 -210.332 -87.5832 -106.052 -87.5829 -192.832 GPRESSURE: 3833600 -172.317 -183.905 -154.152 -202.84 -78.1751 -52.592 -210.782 -50.4826 -192.297 PRESSAVG: 3833600 24.6491 -8.13935 -52.7322 -8.13938 -56.6253 -31.9879 -52.7322 -31.988 -15.5436 GPRESSAVG: 3833600 23.8706 -10.4923 -51.9078 -6.74363 -55.2186 -31.649 -53.4814 -32.9004 -16.0706 TIMING: 3833600 CPU: 11976.9, 0.00313041/step Wall: 11976.9, 0.00313041/step, 1.01425 hours remaining, 234.675781 MB of memory in use. ENERGY: 3833600 4057.6182 20559.2405 14392.6393 238.9753 -203035.1640 2682.9686 0.0000 0.0000 52148.2315 -108955.4906 299.6966 -161103.7221 -108601.4391 299.5983 -179.5664 -147.5962 765381.7806 -15.8399 -15.8062 PRESSURE: 3833800 136.25 61.813 -18.3358 61.8128 215.807 30.3367 -18.3351 30.3374 -222.193 GPRESSURE: 3833800 139.802 1.12197 -106.104 92.5488 271.049 109.665 48.0342 -25.4738 -205.001 PRESSAVG: 3833800 -17.6394 -25.3124 -52.3644 -25.3124 -11.9102 -29.2566 -52.3644 -29.2565 -9.34436 GPRESSAVG: 3833800 -17.6548 -24.1362 -53.7021 -26.5552 -12.0601 -29.4428 -51.1627 -28.6304 -9.29845 TIMING: 3833800 CPU: 11977.6, 0.00313833/step Wall: 11977.6, 0.00313833/step, 1.01664 hours remaining, 234.675781 MB of memory in use. ENERGY: 3833800 4035.5348 20467.1255 14291.3107 256.8655 -203086.9503 2988.1709 0.0000 0.0000 51977.0369 -109070.9059 298.7127 -161047.9428 -108697.9381 299.7955 43.2882 68.6166 764501.7526 -12.9646 -13.0045 PRESSURE: 3834000 87.7037 111.411 84.7469 111.411 187.863 16.5299 84.7471 16.531 -8.30725 GPRESSURE: 3834000 111.309 168.456 172.715 88.452 188.884 6.18028 86.2405 138.323 29.3759 PRESSAVG: 3834000 -4.08722 6.088 -104.671 6.08807 49.8757 -42.5468 -104.671 -42.5469 18.534 GPRESSAVG: 3834000 -4.40555 8.10208 -102.828 5.52367 50.044 -42.6464 -104.442 -41.0397 18.5993 TIMING: 3834000 CPU: 11978.2, 0.0031277/step Wall: 11978.2, 0.0031277/step, 1.01303 hours remaining, 234.757812 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: 3834000 4114.0069 20476.0842 14392.8577 245.8087 -202989.8460 2610.2329 0.0000 0.0000 52151.8601 -108998.9954 299.7175 -161150.8556 -108633.2247 299.9692 89.0865 109.8560 761849.0498 21.4408 21.4126 PRESSURE: 3834200 -238.063 -296.749 -15.869 -296.749 -278.382 -100.196 -15.8697 -100.197 -326.353 GPRESSURE: 3834200 -264.922 -280.963 13.0654 -254.418 -197.328 -54.1308 -55.3051 -94.7181 -301.512 PRESSAVG: 3834200 -19.2246 29.7174 -85.1929 29.7174 -47.0766 74.6692 -85.1928 74.6692 -18.1436 GPRESSAVG: 3834200 -19.2851 28.846 -85.3939 28.3061 -47.1127 74.6859 -86.2356 74.2792 -17.6447 TIMING: 3834200 CPU: 11978.8, 0.0031311/step Wall: 11978.8, 0.0031311/step, 1.01396 hours remaining, 234.757812 MB of memory in use. ENERGY: 3834200 4020.3662 20399.4040 14350.2796 254.6117 -202971.2885 2774.6795 0.0000 0.0000 52236.7799 -108935.1675 300.2055 -161171.9474 -108569.9328 299.5997 -280.9329 -254.5873 763479.5126 -28.1482 -28.0142 PRESSURE: 3834400 -67.7881 8.74644 -199.773 8.74524 -105.027 344.988 -199.773 344.987 -201.07 GPRESSURE: 3834400 5.2204 -76.6605 -216.598 -75.4202 -91.4521 264.125 -209.803 279.874 -204.829 PRESSAVG: 3834400 6.89309 19.205 0.497203 19.205 -13.6179 -13.1763 0.497168 -13.1764 -24.0185 GPRESSAVG: 3834400 7.99942 18.116 0.605231 20.4955 -13.9328 -13.6853 1.64329 -13.2506 -24.6105 TIMING: 3834400 CPU: 11979.4, 0.00311075/step Wall: 11979.4, 0.00311075/step, 1.00719 hours remaining, 234.757812 MB of memory in use. ENERGY: 3834400 3980.4430 20504.9482 14354.4248 240.3027 -203033.8538 2625.2857 0.0000 0.0000 52324.7652 -109003.6842 300.7111 -161328.4494 -108633.1374 299.9694 -124.6285 -97.0202 762220.9510 -10.2478 -10.1813 PRESSURE: 3834600 170.755 35.125 -12.6944 35.1254 74.1234 203.932 -12.6939 203.932 432.06 GPRESSURE: 3834600 198.907 23.2938 -36.7949 -108.946 166.663 64.7492 -58.2834 231.313 373.954 PRESSAVG: 3834600 -16.1735 32.5173 -2.83475 32.5173 -24.61 -35.6594 -2.83471 -35.6594 -0.165781 GPRESSAVG: 3834600 -16.3372 32.9234 -3.09095 31.9859 -25.1318 -34.4693 -3.26234 -37.3683 0.307836 TIMING: 3834600 CPU: 11980.1, 0.00313874/step Wall: 11980.1, 0.00313874/step, 1.01608 hours remaining, 234.757812 MB of memory in use. ENERGY: 3834600 3899.0244 20662.4794 14412.0316 238.1301 -203503.4883 3020.2109 0.0000 0.0000 52446.8554 -108824.7566 301.4128 -161271.6119 -108460.3920 300.3000 225.6464 246.5078 762202.3934 -13.6498 -13.7204 PRESSURE: 3834800 -131.306 78.4221 203.921 78.4222 -66.4415 1.25227 203.921 1.25288 -2.59442 GPRESSURE: 3834800 -33.0665 189.242 180.363 103.377 -73.0944 -83.4887 230.323 133.556 -30.4013 PRESSAVG: 3834800 -28.1502 -1.32923 8.29325 -1.32921 -6.90506 -28.2215 8.29329 -28.2215 -3.29569 GPRESSAVG: 3834800 -29.992 -0.683491 7.90095 -0.587826 -5.42408 -28.9832 7.9148 -26.6514 -3.72754 TIMING: 3834800 CPU: 11980.7, 0.00312556/step Wall: 11980.7, 0.00312556/step, 1.01164 hours remaining, 234.757812 MB of memory in use. ENERGY: 3834800 3920.5504 20487.1891 14389.9172 236.5609 -202736.3649 2529.3448 0.0000 0.0000 52518.7669 -108654.0356 301.8261 -161172.8025 -108279.0449 301.0464 -66.7806 -45.5207 762484.2803 -12.7836 -13.0479 PRESSURE: 3835000 -67.1441 89.3563 130.137 89.3566 -96.5175 -94.365 130.137 -94.3649 43.0884 GPRESSURE: 3835000 -57.2663 -65.651 153.392 3.21951 -47.3503 -188.692 -6.3263 -25.6075 100.833 PRESSAVG: 3835000 2.53956 -5.514 -18.4501 -5.51402 -43.051 -8.08855 -18.4501 -8.08858 22.7778 GPRESSAVG: 3835000 4.41588 -4.30849 -17.85 -5.71165 -45.1637 -8.89751 -18.9771 -7.99785 23.7309 TIMING: 3835000 CPU: 11981.3, 0.00313159/step Wall: 11981.3, 0.00313159/step, 1.01342 hours remaining, 234.757812 MB of memory in use. ENERGY: 3835000 4050.0515 20571.9271 14452.1027 253.9978 -202935.9484 2656.2600 0.0000 0.0000 52436.7914 -108514.8179 301.3550 -160951.6092 -108144.6894 301.0026 -40.1911 -1.2612 762043.9240 -5.9112 -5.6723 PRESSURE: 3835200 -181.901 54.3115 -50.6555 54.311 104.892 31.5653 -50.6558 31.5658 -28.5141 GPRESSURE: 3835200 -112.273 25.5011 -19.8005 163.492 86.9514 64.8815 21.5799 10.9798 1.95143 PRESSAVG: 3835200 29.3873 14.4851 23.4958 14.4851 -0.511442 -12.2534 23.4958 -12.2535 -3.41164 GPRESSAVG: 3835200 29.5748 11.9692 22.786 14.5091 0.997 -8.97872 22.9288 -12.2986 -5.07096 TIMING: 3835200 CPU: 11982, 0.00313307/step Wall: 11982, 0.00313307/step, 1.01372 hours remaining, 234.757812 MB of memory in use. ENERGY: 3835200 3970.4479 20589.5035 14393.4642 260.8893 -202828.3552 2513.6872 0.0000 0.0000 52389.5150 -108710.8481 301.0833 -161100.3631 -108343.4653 300.2871 -35.1744 -7.7902 762828.6296 8.4881 8.5003 PRESSURE: 3835400 134.558 46.9638 -317.67 46.9645 -164.687 147.084 -317.671 147.084 -17.8072 GPRESSURE: 3835400 107.7 47.4001 -258.157 22.0106 -96.9365 201.634 -172.204 -81.7876 31.8667 PRESSAVG: 3835400 33.0503 41.2304 -32.2692 41.2304 -31.2605 37.4371 -32.2693 37.4372 -12.6534 GPRESSAVG: 3835400 30.9674 43.6385 -31.7756 40.7437 -31.3012 35.5657 -30.5815 37.9981 -10.6036 TIMING: 3835400 CPU: 11982.6, 0.0031373/step Wall: 11982.6, 0.0031373/step, 1.01492 hours remaining, 234.757812 MB of memory in use. ENERGY: 3835400 3966.6562 20606.1353 14342.7644 251.7804 -202886.3765 2738.4062 0.0000 0.0000 52131.0243 -108849.6098 299.5977 -160980.6340 -108486.3983 300.2798 -15.9786 14.2099 764415.6406 -3.6212 -3.6458 PRESSURE: 3835600 -194.814 -3.34537 2.78538 -3.34578 148.82 -56.4384 2.7852 -56.4384 82.0438 GPRESSURE: 3835600 -113.694 81.7164 87.7373 -30.258 148.755 10.0145 20.6224 -144.254 78.2799 PRESSAVG: 3835600 -50.8616 19.2418 -7.80848 19.2419 -4.19479 10.2841 -7.8085 10.2841 -15.7627 GPRESSAVG: 3835600 -50.1707 16.4967 -7.21507 21.578 -4.29515 10.4763 -7.13779 9.13716 -16.5592 TIMING: 3835600 CPU: 11983.2, 0.0031369/step Wall: 11983.2, 0.0031369/step, 1.01461 hours remaining, 234.757812 MB of memory in use. ENERGY: 3835600 4002.0666 20378.4229 14450.2832 257.2382 -202995.7586 2732.9229 0.0000 0.0000 52016.4789 -109158.3460 298.9394 -161174.8249 -108790.2282 299.4216 12.0165 37.7804 763686.0713 -23.6064 -23.6750 PRESSURE: 3835800 42.4036 151.073 -140.663 151.073 -9.61036 -70.703 -140.663 -70.7023 206.474 GPRESSURE: 3835800 27.0482 35.3627 -171.727 254.193 139.08 -7.6475 -130.204 -173.93 151.224 PRESSAVG: 3835800 -4.22292 -9.44749 -8.13253 -9.44751 17.5563 6.80401 -8.13254 6.80397 -2.59683 GPRESSAVG: 3835800 -4.17431 -9.73785 -10.6712 -11.4236 17.633 7.7648 -9.05261 5.0442 -3.0146 TIMING: 3835800 CPU: 11983.8, 0.00315376/step Wall: 11983.8, 0.00315376/step, 1.01989 hours remaining, 234.757812 MB of memory in use. ENERGY: 3835800 3933.0172 20306.9210 14349.3002 255.5657 -203027.0917 2663.6953 0.0000 0.0000 52307.3929 -109211.1994 300.6113 -161518.5923 -108847.4321 299.7534 79.7556 105.7840 764546.7787 3.5788 3.4814 PRESSURE: 3836000 211.061 96.9497 -304.401 96.9495 113.379 -19.5808 -304.401 -19.5801 -18.7739 GPRESSURE: 3836000 214.113 48.307 -240.93 76.9733 147.358 -32.9062 -252.203 98.787 21.4246 PRESSAVG: 3836000 -5.5501 21.3298 -26.4892 21.3298 -56.1624 18.5349 -26.4893 18.5349 7.18615 GPRESSAVG: 3836000 -5.28593 21.8965 -24.8263 22.0919 -57.8438 17.9394 -25.63 18.3695 7.74751 TIMING: 3836000 CPU: 11984.5, 0.00313549/step Wall: 11984.5, 0.00313549/step, 1.01381 hours remaining, 234.757812 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: 3836000 3994.4960 20429.3720 14384.0210 236.1773 -203117.6576 2745.6977 0.0000 0.0000 52201.0759 -109126.8175 300.0003 -161327.8935 -108771.3107 299.4005 101.8887 127.6320 762715.0968 -18.1755 -18.4607 PRESSURE: 3836200 -351.499 -33.6225 -208.285 -33.6221 50.6985 203.179 -208.285 203.179 -444.758 GPRESSURE: 3836200 -295.546 -13.9705 -197.991 88.4236 26.6967 204.351 -137.159 205.436 -386.535 PRESSAVG: 3836200 -16.7588 7.76795 -25.7706 7.76802 25.0857 11.806 -25.7706 11.8059 1.56749 GPRESSAVG: 3836200 -18.1889 8.00788 -25.3384 7.15526 26.7676 13.0669 -26.6762 11.2366 1.45214 TIMING: 3836200 CPU: 11985.1, 0.00313641/step Wall: 11985.1, 0.00313641/step, 1.01393 hours remaining, 234.757812 MB of memory in use. ENERGY: 3836200 4026.4074 20618.7858 14357.5184 224.4050 -203397.5517 2925.8075 0.0000 0.0000 52154.0048 -109090.6228 299.7298 -161244.6276 -108740.7763 299.3798 -248.5196 -218.4615 763423.2116 3.2981 3.3436 LDB: ============= START OF LOAD BALANCING ============== 11997.6 LDB: ============== END OF LOAD BALANCING =============== 11997.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11997.6 LDB: ============= START OF LOAD BALANCING ============== 11997.9 LDB: Largest compute 6981 load 0.027572 is 14.1% of average load 0.195301 LDB: Average compute 0.004340 is 2.2% of average load 0.195301 LDB: TIME 11997.9 LOAD: AVG 0.195301 MAX 0.215468 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.797 MB LDB: TIME 11997.9 LOAD: AVG 0.195301 MAX 0.215468 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.996 MB LDB: TIME 11997.9 LOAD: AVG 0.195301 MAX 0.215468 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.996 MB LDB: ============== END OF LOAD BALANCING =============== 11997.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11997.9 PRESSURE: 3836400 -263.138 178.011 119.624 178.011 262.707 38.6365 119.624 38.6364 -181.71 GPRESSURE: 3836400 -239.667 123.155 165.356 158.244 250.764 151.219 148.426 -88.2851 -132.868 PRESSAVG: 3836400 -27.0742 12.8278 -41.1337 12.8278 -10.8766 30.74 -41.1338 30.74 -5.85937 GPRESSAVG: 3836400 -26.262 13.6303 -41.6824 12.8149 -12.7845 28.6253 -40.9442 32.7383 -5.62226 TIMING: 3836400 CPU: 11985.7, 0.00320935/step Wall: 11985.7, 0.00320935/step, 1.03733 hours remaining, 234.214844 MB of memory in use. ENERGY: 3836400 3960.3041 20532.5390 14435.9092 234.7304 -202875.0658 2731.3443 0.0000 0.0000 52063.5321 -108916.7068 299.2098 -160980.2389 -108549.0854 300.3513 -60.7138 -40.5904 764214.5034 -14.6034 -14.8896 PRESSURE: 3836600 124.13 -139.734 -60.4229 -139.733 228.455 47.9944 -60.4238 47.9949 -74.8395 GPRESSURE: 3836600 162.072 -178.666 -85.078 -165.915 195.503 16.5285 -37.974 172.768 0.0304249 PRESSAVG: 3836600 30.4759 -40.9136 -22.9247 -40.9136 -40.2779 1.42911 -22.9248 1.42913 -0.667049 GPRESSAVG: 3836600 30.1997 -42.0732 -24.4004 -37.7819 -39.5184 1.53837 -23.0438 0.559261 -1.38529 TIMING: 3836600 CPU: 11986.4, 0.00314772/step Wall: 11986.4, 0.00314772/step, 1.01724 hours remaining, 234.339844 MB of memory in use. ENERGY: 3836600 3959.9920 20524.1234 14429.3904 254.9777 -203323.7424 2940.9892 0.0000 0.0000 52338.0913 -108876.1784 300.7877 -161214.2697 -108510.9288 300.0386 92.5818 119.2019 763961.2141 -3.4897 -3.5680 PRESSURE: 3836800 -189.92 -41.9089 -146.622 -41.909 -214.252 21.9025 -146.621 21.9037 215.542 GPRESSURE: 3836800 -152.453 -55.0865 -220.266 -108.902 -184.766 -61.0411 -36.4272 177.123 240.065 PRESSAVG: 3836800 27.6028 -26.1385 8.41953 -26.1385 -40.824 -53.0627 8.41951 -53.0627 9.34907 GPRESSAVG: 3836800 28.5756 -27.2332 9.19736 -27.5897 -42.4495 -53.0186 8.2333 -51.8853 9.86953 TIMING: 3836800 CPU: 11987, 0.00315327/step Wall: 11987, 0.00315327/step, 1.01886 hours remaining, 234.550781 MB of memory in use. ENERGY: 3836800 3996.9140 20483.9818 14434.3804 240.1886 -202603.9988 2396.8298 0.0000 0.0000 52048.5215 -109003.1826 299.1236 -161051.7041 -108631.6069 300.2068 -62.8767 -32.3848 763240.4170 -1.2907 -1.3348 PRESSURE: 3837000 43.8775 -60.1178 295.972 -60.1182 172.143 -252.717 295.972 -252.717 258.805 GPRESSURE: 3837000 21.5194 -151.131 274.639 -5.05752 201.633 -173.121 190.778 -309.223 340.173 PRESSAVG: 3837000 46.3065 -3.26314 -0.673854 -3.26318 -31.7061 -20.3901 -0.673866 -20.3902 -0.0195798 GPRESSAVG: 3837000 44.7679 -1.59597 -1.56193 -3.31105 -30.1012 -17.5751 0.446862 -21.8605 -0.371268 TIMING: 3837000 CPU: 11987.6, 0.00310668/step Wall: 11987.6, 0.00310668/step, 1.00363 hours remaining, 234.550781 MB of memory in use. ENERGY: 3837000 3983.2074 20630.3417 14477.6929 233.8554 -203073.7805 2698.7985 0.0000 0.0000 51978.1128 -109071.7717 298.7189 -161049.8846 -108714.8361 299.6102 158.2753 187.7752 761965.0150 4.8603 4.7651 PRESSURE: 3837200 -267.432 -21.7997 68.0678 -21.7997 7.03756 143.701 68.0674 143.701 -107.777 GPRESSURE: 3837200 -272.406 -64.1855 45.1738 -118.203 -23.8122 139.071 17.2399 145.788 -5.10006 PRESSAVG: 3837200 -25.1521 2.01516 15.0153 2.01514 2.65142 -51.9003 15.0153 -51.9003 8.52365 GPRESSAVG: 3837200 -22.8144 0.545221 15.7711 2.74794 0.460725 -52.7972 14.6732 -50.2541 8.22167 TIMING: 3837200 CPU: 11988.2, 0.00310928/step Wall: 11988.2, 0.00310928/step, 1.0043 hours remaining, 234.550781 MB of memory in use. ENERGY: 3837200 4064.5672 20366.3137 14439.6191 248.6900 -203334.4244 2728.2236 0.0000 0.0000 52296.8495 -109190.1614 300.5507 -161487.0109 -108830.8161 299.8444 -122.7237 -100.4394 762462.6465 -4.6590 -4.7107 PRESSURE: 3837400 31.2586 -116.252 -258.643 -116.252 52.3217 159.881 -258.643 159.881 174.857 GPRESSURE: 3837400 51.1988 -74.9778 -146.805 -250.068 128.84 82.8438 -319.846 172.366 169.446 PRESSAVG: 3837400 1.34622 -45.198 56.7683 -45.1979 0.667693 -10.3256 56.7683 -10.3257 8.39246 GPRESSAVG: 3837400 -0.419428 -43.6089 56.284 -47.1809 2.45199 -12.368 57.0871 -10.9749 8.19914 TIMING: 3837400 CPU: 11988.9, 0.00309794/step Wall: 11988.9, 0.00309793/step, 1.00046 hours remaining, 234.550781 MB of memory in use. ENERGY: 3837400 3983.4216 20549.3079 14414.1678 231.3951 -203369.4214 2796.5679 0.0000 0.0000 51909.7548 -109484.8062 298.3261 -161394.5611 -109130.4600 299.4476 86.1459 116.4949 763394.3287 3.4688 3.4106 PRESSURE: 3837600 -90.3723 113.85 -12.0558 113.85 -96.3652 236.775 -12.0559 236.775 -651.402 GPRESSURE: 3837600 -63.3831 37.8834 -17.6214 75.7245 -141.171 203.132 1.19665 117.217 -542.245 PRESSAVG: 3837600 -0.214144 -20.9808 25.6244 -20.9808 13.4928 -12.7282 25.6244 -12.7282 -24.9251 GPRESSAVG: 3837600 -0.175372 -22.0744 24.8694 -18.0463 12.5816 -10.4688 26.4411 -13.6398 -23.9933 TIMING: 3837600 CPU: 11989.5, 0.00310639/step Wall: 11989.5, 0.00310639/step, 1.00302 hours remaining, 234.550781 MB of memory in use. ENERGY: 3837600 4048.1313 20447.7883 14325.7319 245.9616 -203488.5022 2784.5663 0.0000 0.0000 52142.8201 -109493.5027 299.6655 -161636.3228 -109135.4276 299.2096 -279.3799 -248.9329 765342.4620 -3.8822 -3.8624 PRESSURE: 3837800 278.945 207.711 191.4 207.712 47.7553 -199.815 191.4 -199.814 142.702 GPRESSURE: 3837800 212.609 230.732 187.914 137.547 160.312 -172.634 168.213 -217.099 191.658 PRESSAVG: 3837800 -20.4028 16.8913 -15.1265 16.8913 26.776 -84.7404 -15.1265 -84.7403 9.80129 GPRESSAVG: 3837800 -20.2174 18.1526 -13.0573 15.1564 26.4237 -84.8244 -16.7399 -84.7128 9.78355 TIMING: 3837800 CPU: 11990.1, 0.00312109/step Wall: 11990.1, 0.00312109/step, 1.00759 hours remaining, 234.550781 MB of memory in use. ENERGY: 3837800 4002.0905 20437.9147 14395.5430 255.0553 -203579.5587 3109.1410 0.0000 0.0000 52047.8203 -109331.9939 299.1195 -161379.8142 -108971.6921 299.0030 156.4672 188.1930 763222.7465 5.3915 5.3299 PRESSURE: 3838000 -228.406 -172.764 47.1781 -172.762 -118.547 35.4182 47.1794 35.4186 303.749 GPRESSURE: 3838000 -194.792 -112.061 -26.8353 -132.889 -119.14 60.1279 83.5341 0.62161 362.608 PRESSAVG: 3838000 -3.65748 0.595583 31.0971 0.595532 -20.79 -8.52884 31.0971 -8.52892 1.94697 GPRESSAVG: 3838000 -3.70981 -0.48338 29.354 1.77868 -19.8112 -9.81236 32.1922 -6.81203 1.31639 TIMING: 3838000 CPU: 11990.7, 0.00311082/step Wall: 11990.7, 0.00311082/step, 1.0041 hours remaining, 234.550781 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: 3838000 3962.3915 20532.8204 14430.7278 265.5156 -203633.6170 2950.6477 0.0000 0.0000 52065.4344 -109426.0798 299.2208 -161491.5142 -109069.5883 299.2599 -14.4010 16.2254 764550.0897 -7.5002 -7.4015 PRESSURE: 3838200 170.556 80.742 -140.755 80.742 189.873 141.254 -140.755 141.253 430.761 GPRESSURE: 3838200 226.573 126.318 -126.384 -93.6864 207.459 165.85 -88.2787 141.569 407.191 PRESSAVG: 3838200 5.33643 8.10614 -38.1234 8.10613 4.32588 11.4716 -38.1233 11.4717 35.7008 GPRESSAVG: 3838200 5.08748 8.04458 -37.1554 6.69203 3.52232 10.752 -37.5024 10.3304 36.8677 TIMING: 3838200 CPU: 11991.3, 0.00308949/step Wall: 11991.3, 0.00308949/step, 0.997046 hours remaining, 234.550781 MB of memory in use. ENERGY: 3838200 3935.9229 20475.5018 14433.1646 278.0775 -203446.8615 2900.6894 0.0000 0.0000 52012.7732 -109410.7321 298.9181 -161423.5053 -109056.9018 299.3797 263.7301 280.4076 763771.4114 15.1210 15.1592 PRESSURE: 3838400 203.599 -179.895 -188.104 -179.895 93.3047 -32.4994 -188.104 -32.4993 -212.048 GPRESSURE: 3838400 274.06 -224.29 -162.901 -220.742 79.9729 18.2153 -179.866 -52.4875 -210.68 PRESSAVG: 3838400 -28.2803 -61.0755 -37.8832 -61.0754 -19.7617 36.5313 -37.8831 36.5314 -16.6541 GPRESSAVG: 3838400 -27.0511 -59.7499 -37.0492 -62.1438 -20.1035 38.6391 -40.6995 36.1216 -17.3804 TIMING: 3838400 CPU: 11992, 0.00310524/step Wall: 11992, 0.00310524/step, 1.00196 hours remaining, 234.550781 MB of memory in use. ENERGY: 3838400 3970.7692 20662.1059 14384.4069 260.2499 -203742.8808 3066.4970 0.0000 0.0000 52115.3197 -109283.5322 299.5075 -161398.8519 -108926.9539 298.8483 28.2853 47.7841 763788.2721 -21.5654 -21.5117 PRESSURE: 3838600 370.22 125.988 93.9578 125.988 72.7581 88.4201 93.9575 88.42 -68.6595 GPRESSURE: 3838600 350.548 229.96 75.6666 39.0805 153.834 71.7949 -47.3017 -28.0933 -52.9518 PRESSAVG: 3838600 36.9731 -27.9909 -38.6604 -27.9909 4.38657 -19.4557 -38.6604 -19.4557 -1.11205 GPRESSAVG: 3838600 35.9912 -28.6594 -39.9538 -25.286 5.80801 -20.2723 -37.4642 -19.1281 -1.24275 TIMING: 3838600 CPU: 11992.6, 0.00308994/step Wall: 11992.6, 0.00308994/step, 0.996847 hours remaining, 234.550781 MB of memory in use. ENERGY: 3838600 4011.9604 20463.1622 14471.4194 249.4749 -203397.8835 2761.6708 0.0000 0.0000 52011.4443 -109428.7515 298.9105 -161440.1957 -109060.1147 299.2266 124.7729 150.4766 762388.6318 13.4159 13.5188 PRESSURE: 3838800 103.846 -301.418 -4.19622 -301.417 41.7403 0.660597 -4.19654 0.660812 -56.4119 GPRESSURE: 3838800 187.715 -248.307 -2.91331 -264.276 -65.6072 64.7197 -143.712 60.7472 41.5352 PRESSAVG: 3838800 19.886 -10.1807 -26.2456 -10.1807 -9.72141 -1.04029 -26.2456 -1.04029 2.35043 GPRESSAVG: 3838800 20.2606 -8.00614 -26.3399 -12.7215 -10.3766 -2.34879 -24.6235 -0.0499799 2.26736 TIMING: 3838800 CPU: 11993.2, 0.00308819/step Wall: 11993.2, 0.00308819/step, 0.996114 hours remaining, 234.550781 MB of memory in use. ENERGY: 3838800 3906.4526 20488.5009 14485.3778 235.1156 -203422.0720 2739.7602 0.0000 0.0000 52075.5725 -109491.2924 299.2790 -161566.8649 -109129.7004 298.7278 29.7248 54.5477 762091.3299 4.1717 4.0505 PRESSURE: 3839000 7.25694 29.222 -132.277 29.2225 23.6181 -80.7044 -132.277 -80.7041 54.7419 GPRESSURE: 3839000 21.3515 -133.477 11.7149 144.491 47.5773 -47.6284 -182.536 -141.847 89.8941 PRESSAVG: 3839000 -2.44506 -12.8719 32.4836 -12.8719 21.4525 -1.33935 32.4836 -1.33936 19.5942 GPRESSAVG: 3839000 -3.08821 -16.6481 33.0326 -10.8966 20.2702 -0.0163953 31.9431 -2.45532 21.1808 TIMING: 3839000 CPU: 11993.8, 0.00310165/step Wall: 11993.8, 0.00310165/step, 1.00028 hours remaining, 234.550781 MB of memory in use. ENERGY: 3839000 3975.0413 20399.7297 14426.2608 236.8239 -203375.0322 2851.6471 0.0000 0.0000 51933.3817 -109552.1477 298.4619 -161485.5294 -109187.3693 298.5857 28.5390 52.9410 762844.9650 12.8672 12.7876 PRESSURE: 3839200 -188.491 -7.87206 -216.492 -7.8719 70.7407 80.3925 -216.491 80.3925 -554.384 GPRESSURE: 3839200 -68.1868 42.9024 -171.821 139.898 39.175 108.394 -128.453 113.805 -548.367 PRESSAVG: 3839200 -35.4656 1.80205 17.492 1.80203 15.8111 28.5588 17.492 28.5588 -21.2776 GPRESSAVG: 3839200 -34.4412 2.48624 15.0823 2.65772 16.1134 27.789 18.1989 29.3872 -22.6361 TIMING: 3839200 CPU: 11994.4, 0.00309818/step Wall: 11994.4, 0.00309818/step, 0.998992 hours remaining, 234.550781 MB of memory in use. ENERGY: 3839200 3970.9281 20580.2203 14445.9399 255.1760 -203118.7879 2556.3998 0.0000 0.0000 51968.7569 -109341.3669 298.6652 -161310.1238 -108974.1562 298.7958 -224.0448 -192.4596 763984.4704 -13.6440 -13.6546 PRESSURE: 3839400 -46.7411 -42.8824 23.8089 -42.8821 -38.3481 155.935 23.808 155.934 -144.352 GPRESSURE: 3839400 10.1458 0.979488 -7.10203 -70.4823 -13.7048 93.9862 25.0285 7.19644 -161.719 PRESSAVG: 3839400 9.56658 -14.8341 12.4092 -14.8341 14.9823 -21.8504 12.4092 -21.8505 38.0026 GPRESSAVG: 3839400 8.53662 -12.6955 13.0638 -17.9822 16.0197 -21.9826 10.5267 -20.65 38.5282 TIMING: 3839400 CPU: 11995.1, 0.00310076/step Wall: 11995.1, 0.00310076/step, 0.999651 hours remaining, 234.550781 MB of memory in use. ENERGY: 3839400 4057.7059 20434.7704 14372.7224 252.3056 -203122.2361 2761.0885 0.0000 0.0000 52253.1888 -108990.4544 300.2998 -161243.6433 -108623.9098 299.6607 -76.4803 -55.0927 763585.4875 20.8505 21.0282 PRESSURE: 3839600 135.302 181.124 -137.12 181.124 251.921 -191.71 -137.119 -191.709 -321.014 GPRESSURE: 3839600 190.826 322.599 -113.367 143.454 204.724 -213.589 -240.087 -81.5581 -241.885 PRESSAVG: 3839600 -29.3321 -30.6193 24.2196 -30.6192 -55.9725 -32.995 24.2196 -32.995 2.7538 GPRESSAVG: 3839600 -29.4863 -29.4861 26.6242 -30.3188 -54.4292 -32.4524 24.8485 -34.1653 1.28402 TIMING: 3839600 CPU: 11995.7, 0.00311218/step Wall: 11995.7, 0.00311218/step, 1.00316 hours remaining, 234.550781 MB of memory in use. ENERGY: 3839600 3985.4886 20499.7543 14439.7743 256.3183 -203253.9940 2897.0476 0.0000 0.0000 52106.5795 -109069.0314 299.4572 -161175.6109 -108702.0029 299.2747 22.0698 51.2218 762685.6201 -27.5169 -27.5438 PRESSURE: 3839800 -89.2943 185.035 -108.034 185.035 -151.64 -228.633 -108.035 -228.634 412.42 GPRESSURE: 3839800 -11.1245 155.265 -132.159 203.73 -119.109 -181.93 -81.3765 -166.789 380.263 PRESSAVG: 3839800 -1.15137 16.7825 -10.5772 16.7824 14.2252 -23.6299 -10.5771 -23.6299 17.0807 GPRESSAVG: 3839800 0.647705 16.2514 -11.5101 18.0489 12.152 -23.5284 -10.5215 -24.1023 17.7203 TIMING: 3839800 CPU: 11996.3, 0.00310859/step Wall: 11996.3, 0.00310859/step, 1.00183 hours remaining, 234.550781 MB of memory in use. ENERGY: 3839800 3931.2506 20497.9720 14459.4467 258.6200 -203296.9611 2773.5926 0.0000 0.0000 52375.5666 -109000.5126 301.0031 -161376.0792 -108639.2470 299.3612 57.1618 83.3431 761865.6313 10.0515 10.1733 PRESSURE: 3840000 39.8877 188.23 14.6332 188.23 407.353 -86.1476 14.6337 -86.1471 -31.5713 GPRESSURE: 3840000 13.4098 86.3962 -67.358 135.024 419.563 -131.996 -75.914 -84.9471 74.5776 PRESSAVG: 3840000 45.266 -0.855654 53.7685 -0.855724 -48.8688 29.0252 53.7685 29.0252 -12.812 GPRESSAVG: 3840000 43.5722 0.383182 55.7773 -3.78727 -48.9486 28.0584 51.8938 30.4118 -11.7553 TIMING: 3840000 CPU: 11996.9, 0.00311956/step Wall: 11996.9, 0.00311955/step, 1.00519 hours remaining, 234.550781 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: 3840000 3979.2064 20606.5860 14318.6398 243.4348 -203395.7528 2776.2638 0.0000 0.0000 52414.1635 -109057.4585 301.2249 -161471.6220 -108692.0606 299.7302 138.5564 169.1835 761992.5018 -5.4716 -5.7106 PRESSURE: 3840200 -140.126 67.0699 228.099 67.07 -361.955 228.862 228.099 228.863 165.102 GPRESSURE: 3840200 -35.7626 67.4194 237.832 59.3068 -331.133 306.342 190.494 273.759 115.4 PRESSAVG: 3840200 -67.267 -48.9578 67.0731 -48.9578 71.2114 43.8841 67.0731 43.8841 7.28083 GPRESSAVG: 3840200 -66.9665 -50.0123 65.4011 -45.4362 71.1611 44.5147 67.5684 45.43 6.67879 TIMING: 3840200 CPU: 11997.5, 0.00310565/step Wall: 11997.5, 0.00310565/step, 1.00054 hours remaining, 234.550781 MB of memory in use. ENERGY: 3840200 4010.5080 20390.8169 14442.0285 253.6544 -202550.5102 2336.9946 0.0000 0.0000 52196.2336 -108920.2742 299.9725 -161116.5078 -108544.1750 299.8777 -112.3266 -83.8318 763764.4321 3.7418 3.6245 LDB: ============= START OF LOAD BALANCING ============== 12010 LDB: ============== END OF LOAD BALANCING =============== 12010 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12010 LDB: ============= START OF LOAD BALANCING ============== 12010.3 LDB: Largest compute 7031 load 0.029348 is 15.0% of average load 0.195224 LDB: Average compute 0.004379 is 2.2% of average load 0.195224 LDB: TIME 12010.3 LOAD: AVG 0.195224 MAX 0.215011 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.602 MB LDB: TIME 12010.3 LOAD: AVG 0.195224 MAX 0.215011 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.805 MB LDB: TIME 12010.3 LOAD: AVG 0.195224 MAX 0.215011 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.805 MB LDB: ============== END OF LOAD BALANCING =============== 12010.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12010.3 PRESSURE: 3840400 -43.1265 134.556 66.7085 134.556 -129.796 247.979 66.7086 247.978 -55.8946 GPRESSURE: 3840400 29.8758 69.4528 95.7775 168.275 -168.576 155.158 -37.7279 219.317 -50.7 PRESSAVG: 3840400 32.2098 -18.6354 70.3091 -18.6355 -38.2783 -27.7972 70.3091 -27.7971 1.91931 GPRESSAVG: 3840400 33.8974 -20.7432 70.7897 -19.506 -38.7392 -28.4304 71.1205 -29.8429 0.95147 TIMING: 3840400 CPU: 11998.2, 0.00318058/step Wall: 11998.2, 0.00318058/step, 1.0245 hours remaining, 236.625000 MB of memory in use. ENERGY: 3840400 4010.4245 20486.2971 14426.2515 249.1517 -203491.5334 2890.1850 0.0000 0.0000 52045.8855 -109383.3381 299.1084 -161429.2237 -109022.4739 299.8420 -76.2724 -63.1334 760995.9235 -1.3831 -1.2968 PRESSURE: 3840600 76.2257 47.2891 -154.413 47.29 70.4235 233.821 -154.413 233.823 -76.485 GPRESSURE: 3840600 154.332 39.8122 -139.335 27.7185 93.9487 282.867 -160.653 121.703 -104.828 PRESSAVG: 3840600 102.126 -19.5635 88.3747 -19.5635 -68.8735 11.9733 88.3746 11.9734 -6.00253 GPRESSAVG: 3840600 100.989 -19.2385 87.2977 -19.3444 -68.1024 12.2933 87.8319 12.1785 -5.48436 TIMING: 3840600 CPU: 11998.8, 0.00313302/step Wall: 11998.8, 0.00313302/step, 1.00901 hours remaining, 237.144531 MB of memory in use. ENERGY: 3840600 4015.3032 20566.5693 14408.4753 251.8731 -203756.0131 2867.9091 0.0000 0.0000 52209.4820 -109436.4012 300.0486 -161645.8832 -109069.6438 299.5632 23.3881 47.8176 762071.4881 9.0832 9.1340 PRESSURE: 3840800 -174.946 71.5827 -54.0715 71.5828 -32.0692 159.099 -54.071 159.097 -2.27544 GPRESSURE: 3840800 -198.511 -3.47543 -24.2832 168.79 87.8008 142.291 -149.048 168.989 -8.75125 PRESSAVG: 3840800 -24.004 -24.6752 8.45815 -24.6752 -47.771 40.2383 8.45811 40.2383 -15.4054 GPRESSAVG: 3840800 -24.6424 -24.0335 8.23143 -26.0772 -47.1501 39.8294 9.2529 39.6496 -14.9906 TIMING: 3840800 CPU: 11999.4, 0.00311224/step Wall: 11999.4, 0.00311224/step, 1.00214 hours remaining, 237.152344 MB of memory in use. ENERGY: 3840800 4065.5472 20515.8714 14325.0777 257.1166 -203312.4200 2879.5747 0.0000 0.0000 51939.5667 -109329.6656 298.4974 -161269.2324 -108975.8972 298.9872 -69.7635 -39.8204 763216.4178 -29.0602 -28.9277 PRESSURE: 3841000 -1.24409 226.744 85.8495 226.744 -244.153 -42.1958 85.8493 -42.194 105.445 GPRESSURE: 3841000 2.67514 79.1598 110.647 164.601 -173.707 -98.3773 30.572 205.739 121.386 PRESSAVG: 3841000 -19.3042 64.6101 6.79108 64.6101 23.1099 1.31378 6.79105 1.31374 5.0105 GPRESSAVG: 3841000 -18.8228 65.7114 7.14705 64.9319 22.9307 -0.883007 4.35834 3.81852 4.77429 TIMING: 3841000 CPU: 12000.1, 0.0031083/step Wall: 12000.1, 0.0031083/step, 1.0007 hours remaining, 237.152344 MB of memory in use. ENERGY: 3841000 4024.3832 20371.2462 14439.4391 238.9697 -203570.7842 2879.4495 0.0000 0.0000 52080.6513 -109536.6452 299.3082 -161617.2965 -109171.9857 298.8758 -46.6508 -16.5485 763337.6037 2.9387 2.9607 PRESSURE: 3841200 -311.727 -116.33 21.7441 -116.33 -223.344 134.833 21.745 134.833 -23.2986 GPRESSURE: 3841200 -214.889 37.4397 -21.7504 -98.6008 -239.51 154.823 -139.348 14.7079 -24.0817 PRESSAVG: 3841200 40.6049 1.44987 87.6885 1.44984 -6.24022 -6.30458 87.6885 -6.30455 -3.77758 GPRESSAVG: 3841200 40.7535 2.41647 87.1051 1.7201 -7.33808 -3.65824 90.718 -8.9831 -3.31194 TIMING: 3841200 CPU: 12000.7, 0.00310675/step Wall: 12000.7, 0.00310675/step, 1.00003 hours remaining, 237.218750 MB of memory in use. ENERGY: 3841200 4028.7851 20532.8827 14433.3818 251.4048 -203283.4841 2612.3715 0.0000 0.0000 51969.7806 -109454.8775 298.6710 -161424.6581 -109099.0685 299.0193 -186.1233 -159.4937 761631.4252 10.1957 10.0345 PRESSURE: 3841400 -24.4465 -174.255 -132.217 -174.254 257.093 93.0337 -132.216 93.0337 -300.74 GPRESSURE: 3841400 91.8584 -177.782 -97.9191 -107.987 258.875 53.0808 69.1914 149.714 -322.933 PRESSAVG: 3841400 -17.4854 -28.5652 -15.4781 -28.5652 8.14105 -18.7469 -15.478 -18.747 11.5536 GPRESSAVG: 3841400 -17.6715 -29.9671 -13.0706 -28.8647 8.30939 -19.7534 -16.4255 -17.5351 11.7124 TIMING: 3841400 CPU: 12001.3, 0.00310205/step Wall: 12001.3, 0.00310205/step, 0.998344 hours remaining, 237.218750 MB of memory in use. ENERGY: 3841400 3941.4716 20525.3098 14446.1878 261.7441 -203560.2588 2720.1614 0.0000 0.0000 51986.4781 -109678.9060 298.7670 -161665.3841 -109313.9026 298.5327 -22.6978 9.2665 761543.0531 0.7364 0.7834 PRESSURE: 3841600 -318.016 105.254 114.496 105.255 -206.199 157.435 114.496 157.434 32.2984 GPRESSURE: 3841600 -285.074 67.9526 108.195 38.611 -144.658 129.285 43.3751 47.1533 19.8258 PRESSAVG: 3841600 0.157662 -2.98182 -10.6833 -2.98185 30.6531 -26.2769 -10.6833 -26.277 5.82237 GPRESSAVG: 3841600 -0.488544 -3.88037 -11.0773 -1.24488 30.2775 -24.5153 -10.2556 -26.9619 6.99385 TIMING: 3841600 CPU: 12001.9, 0.00313731/step Wall: 12001.9, 0.00313731/step, 1.00952 hours remaining, 237.218750 MB of memory in use. ENERGY: 3841600 4027.6252 20605.8838 14513.4195 212.3858 -203453.4272 2718.5890 0.0000 0.0000 51907.4295 -109468.0944 298.3127 -161375.5239 -109110.9340 298.6642 -163.9720 -136.6354 762114.4800 12.2110 12.2609 PRESSURE: 3841800 -49.6977 239.604 -67.4876 239.604 -459.381 -100.456 -67.4883 -100.455 430.911 GPRESSURE: 3841800 -39.8956 157.455 -93.7767 118.314 -408.945 -117.347 6.33742 -118.042 457.229 PRESSAVG: 3841800 -26.3125 7.30561 34.665 7.30565 12.8791 8.4559 34.6651 8.45579 -7.04588 GPRESSAVG: 3841800 -25.8426 7.8405 33.3624 6.13642 13.3163 7.31665 34.3805 8.80355 -7.88843 TIMING: 3841800 CPU: 12002.5, 0.0031246/step Wall: 12002.5, 0.0031246/step, 1.00525 hours remaining, 237.218750 MB of memory in use. ENERGY: 3841800 3982.5573 20609.2938 14448.8711 242.1468 -202967.3963 2545.2851 0.0000 0.0000 51954.4201 -109184.8220 298.5828 -161139.2422 -108815.8438 299.4957 -26.0559 2.7962 764374.9848 -6.8264 -6.8049 PRESSURE: 3842000 107.013 -75.047 264.836 -75.047 151.467 17.5539 264.837 17.553 73.5129 GPRESSURE: 3842000 65.0285 -122.061 307.057 -38.7874 266.47 70.7777 160.859 -135.54 77.2366 PRESSAVG: 3842000 -1.60492 2.4883 3.88132 2.48825 -25.983 8.44686 3.8813 8.44682 3.09758 GPRESSAVG: 3842000 -0.0672685 2.88127 3.85267 2.42736 -26.6339 8.51154 2.47386 7.85461 2.13175 TIMING: 3842000 CPU: 12003.2, 0.00311234/step Wall: 12003.2, 0.00311234/step, 1.00114 hours remaining, 237.218750 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: 3842000 4030.1471 20547.3500 14400.9372 248.8334 -203131.9883 2753.3281 0.0000 0.0000 51981.5803 -109169.8120 298.7389 -161151.3924 -108814.0560 299.0304 110.6644 136.2451 764140.1650 -8.1634 -8.1898 PRESSURE: 3842200 87.359 -19.5716 137.116 -19.572 105.081 364.887 137.116 364.887 273.217 GPRESSURE: 3842200 191.147 7.53874 89.4505 23.9779 120.181 323.902 84.3609 291.114 224.866 PRESSAVG: 3842200 17.8223 -4.22593 -14.5151 -4.22602 -36.1521 -25.5658 -14.5152 -25.5659 12.6853 GPRESSAVG: 3842200 15.412 -4.20346 -15.1043 -4.89623 -34.875 -26.5807 -14.5357 -25.4821 13.8083 TIMING: 3842200 CPU: 12003.8, 0.00309496/step Wall: 12003.8, 0.00309496/step, 0.995373 hours remaining, 237.218750 MB of memory in use. ENERGY: 3842200 3996.2222 20613.3473 14380.8380 237.7682 -203174.5843 2793.5114 0.0000 0.0000 51973.1874 -109179.7098 298.6906 -161152.8971 -108827.6610 299.6432 155.2190 178.7316 763703.2740 -1.8815 -1.8849 PRESSURE: 3842400 -110.373 -44.2726 35.1761 -44.2729 -105.829 -77.1276 35.1761 -77.129 -347.904 GPRESSURE: 3842400 -104.668 6.60208 98.8117 -52.7819 -100.91 40.2324 -3.98245 10.6774 -288.361 PRESSAVG: 3842400 35.9618 -44.9303 -56.6749 -44.9302 -9.3657 -2.56224 -56.6749 -2.56218 5.89453 GPRESSAVG: 3842400 36.7453 -43.5736 -56.1914 -45.1496 -10.271 0.0648069 -56.2783 -1.8566 5.96915 TIMING: 3842400 CPU: 12004.4, 0.00310286/step Wall: 12004.4, 0.00310286/step, 0.997743 hours remaining, 237.218750 MB of memory in use. ENERGY: 3842400 4117.0126 20473.2224 14403.1729 221.6971 -203536.4891 2894.2975 0.0000 0.0000 52169.5796 -109257.5068 299.8193 -161427.0864 -108893.2799 299.6798 -188.0352 -164.6460 764140.8410 10.8302 10.8145 PRESSURE: 3842600 -136.2 -106.769 -111.477 -106.769 -22.9319 89.8976 -111.478 89.8975 -253.64 GPRESSURE: 3842600 -90.1592 -175.885 -175.511 -109.409 56.7053 15.5729 31.027 132.47 -275.467 PRESSAVG: 3842600 -35.1804 -11.7172 11.3098 -11.7173 40.8029 -24.5212 11.3098 -24.5212 2.73816 GPRESSAVG: 3842600 -34.8744 -14.3234 12.1775 -11.0599 41.2639 -26.6377 11.3444 -22.4115 2.70744 TIMING: 3842600 CPU: 12005, 0.00310579/step Wall: 12005, 0.00310579/step, 0.998511 hours remaining, 237.218750 MB of memory in use. ENERGY: 3842600 4073.9365 20670.0984 14499.0345 243.0059 -203543.8280 2876.1723 0.0000 0.0000 51985.4945 -109196.0860 298.7614 -161181.5804 -108840.1685 299.3982 -137.5907 -102.9738 762890.1793 2.7869 3.0323 PRESSURE: 3842800 75.036 380.264 -79.5687 380.265 -201.969 84.3386 -79.5688 84.3381 88.4891 GPRESSURE: 3842800 93.0868 342.83 -32.0644 430.242 -134.48 106.647 -43.561 121.112 95.4049 PRESSAVG: 3842800 -56.9854 -19.4007 -2.16592 -19.4007 77.3506 -53.7225 -2.16587 -53.7225 11.8781 GPRESSAVG: 3842800 -56.6652 -17.7518 -3.36708 -16.8694 77.4734 -52.7765 -1.13321 -55.6211 11.7189 TIMING: 3842800 CPU: 12005.7, 0.00309904/step Wall: 12005.7, 0.00309904/step, 0.996169 hours remaining, 237.218750 MB of memory in use. ENERGY: 3842800 4024.9265 20525.4123 14449.6560 256.2907 -203077.6181 2684.4200 0.0000 0.0000 52108.0107 -109028.9018 299.4655 -161136.9125 -108656.9514 299.8068 -12.8145 18.0038 762084.8670 10.7478 10.8424 PRESSURE: 3843000 -384.055 -52.3729 244.744 -52.373 -2.61498 -157.349 244.744 -157.348 -308.796 GPRESSURE: 3843000 -284.825 9.63903 135.756 -24.2969 -22.5197 -155.984 320.911 -89.2098 -311.524 PRESSAVG: 3843000 29.7999 14.6156 17.0324 14.6157 -8.12383 -22.1396 17.0324 -22.1396 11.1387 GPRESSAVG: 3843000 30.1576 14.8399 15.157 11.3656 -9.1708 -23.2443 18.2894 -21.9424 11.8026 TIMING: 3843000 CPU: 12006.3, 0.00309442/step Wall: 12006.3, 0.00309442/step, 0.994512 hours remaining, 237.218750 MB of memory in use. ENERGY: 3843000 3950.1317 20507.6773 14484.5551 268.4557 -203437.3210 2742.0187 0.0000 0.0000 52156.4621 -109328.0203 299.7439 -161484.4824 -108953.7600 299.6779 -231.8219 -206.2897 766558.0185 10.9383 10.9298 PRESSURE: 3843200 -96.048 -228.514 -33.9746 -228.513 -159.741 -10.3876 -33.9756 -10.387 -8.30082 GPRESSURE: 3843200 -41.5001 -132.865 -68.5063 -164.249 -186.495 11.3929 -65.334 -60.408 36.9508 PRESSAVG: 3843200 31.8753 -27.0699 -33.7746 -27.07 -28.6812 -10.6634 -33.7748 -10.6635 8.02666 GPRESSAVG: 3843200 31.71 -26.4955 -31.5211 -24.5091 -28.4006 -10.3238 -35.588 -12.044 8.37913 TIMING: 3843200 CPU: 12006.9, 0.00309293/step Wall: 12006.9, 0.00309293/step, 0.993863 hours remaining, 237.218750 MB of memory in use. ENERGY: 3843200 3999.1605 20557.7510 14461.9253 251.4174 -203674.2597 2989.9094 0.0000 0.0000 52002.4065 -109411.6896 298.8585 -161414.0961 -109044.7138 298.9056 -88.0299 -63.6815 764134.0939 3.7403 3.8962 PRESSURE: 3843400 -555.644 -21.936 -118.56 -21.9355 -454.21 42.1329 -118.56 42.1334 -52.5388 GPRESSURE: 3843400 -414.943 -140.754 -83.6579 62.8901 -478.061 40.6419 -92.6776 41.0902 -95.3012 PRESSAVG: 3843400 -24.3952 -17.2464 -10.7369 -17.2463 -3.47638 -40.1715 -10.7368 -40.1716 -28.6581 GPRESSAVG: 3843400 -23.973 -18.0179 -11.4846 -17.3709 -3.08241 -40.0332 -10.3472 -39.825 -29.8024 TIMING: 3843400 CPU: 12007.5, 0.0030848/step Wall: 12007.5, 0.0030848/step, 0.991079 hours remaining, 237.218750 MB of memory in use. ENERGY: 3843400 3989.9686 20839.6792 14362.4906 249.7806 -203122.7918 2424.4017 0.0000 0.0000 51880.3949 -109376.0762 298.1573 -161256.4711 -109008.9579 299.0687 -354.1307 -329.4348 763519.0604 -18.8432 -18.9526 PRESSURE: 3843600 -30.3332 172.581 -239.181 172.582 3.57064 224.227 -239.181 224.228 181.222 GPRESSURE: 3843600 -32.805 31.9498 -272.398 188.833 64.1059 198.407 -246.603 159.736 208.25 PRESSAVG: 3843600 7.36925 13.6323 -18.2967 13.6323 -8.48403 -20.3213 -18.2966 -20.3213 14.2885 GPRESSAVG: 3843600 6.39193 14.1532 -17.4965 11.61 -9.13145 -21.1051 -19.5233 -20.0158 16.0834 TIMING: 3843600 CPU: 12008.1, 0.00308736/step Wall: 12008.1, 0.00308736/step, 0.99173 hours remaining, 237.218750 MB of memory in use. ENERGY: 3843600 3920.4526 20589.1311 14367.3636 249.3832 -203642.1914 3105.0913 0.0000 0.0000 51960.7216 -109450.0481 298.6190 -161410.7697 -109094.5296 298.7926 51.4865 79.8502 763126.7308 4.3913 4.4480 PRESSURE: 3843800 323.253 93.1851 248.143 93.1853 140.584 -262.957 248.143 -262.957 -247.449 GPRESSURE: 3843800 358.047 82.5435 200.584 187.173 124.444 -232.34 261.699 -340.374 -175.266 PRESSAVG: 3843800 -22.5318 -56.9565 1.96471 -56.9565 27.9171 -98.6029 1.9647 -98.6029 6.5786 GPRESSAVG: 3843800 -22.2425 -58.3641 0.812035 -56.6304 27.8367 -97.9606 1.68891 -100.24 6.39357 TIMING: 3843800 CPU: 12008.7, 0.00309869/step Wall: 12008.7, 0.00309869/step, 0.995196 hours remaining, 237.218750 MB of memory in use. ENERGY: 3843800 3934.7929 20733.9884 14364.4103 257.6831 -203466.9937 2896.0604 0.0000 0.0000 51854.2533 -109425.8053 298.0071 -161280.0586 -109064.6863 298.9810 72.1291 102.4081 761559.5329 3.9880 3.9959 PRESSURE: 3844000 -150.347 -121.054 -38.3049 -121.054 -137.764 -70.1571 -38.3046 -70.1565 134.386 GPRESSURE: 3844000 -25.2086 -9.02303 47.8577 -122.431 -136.246 10.0877 -90.1921 -39.0275 98.2949 PRESSAVG: 3844000 34.8661 -73.2452 70.4344 -73.2452 -28.1462 -29.0371 70.4345 -29.037 -18.8205 GPRESSAVG: 3844000 35.409 -72.7792 72.7266 -72.9158 -28.5352 -28.4363 72.4283 -28.477 -19.3387 TIMING: 3844000 CPU: 12009.4, 0.00309019/step Wall: 12009.4, 0.00309019/step, 0.992294 hours remaining, 237.218750 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: 3844000 3938.5536 20579.6843 14446.4926 240.8556 -203350.8372 2760.4895 0.0000 0.0000 51906.7793 -109477.9824 298.3090 -161384.7616 -109114.0341 299.1311 -51.2416 -21.0534 763100.3746 -4.0335 -4.1550 PRESSURE: 3844200 -208.102 283.88 -153.522 283.88 -370.475 -204.327 -153.521 -204.327 188.067 GPRESSURE: 3844200 -162.429 155.503 -116.503 285.772 -273.581 -136.962 -102.142 -167.769 134.83 PRESSAVG: 3844200 42.5782 -14.9256 -15.0842 -14.9256 -52.8013 -19.6816 -15.0842 -19.6817 -0.0424091 GPRESSAVG: 3844200 41.6609 -15.3687 -16.0928 -14.1037 -51.3685 -20.1777 -14.7138 -20.5609 -0.77098 TIMING: 3844200 CPU: 12010, 0.00310027/step Wall: 12010, 0.00310027/step, 0.995358 hours remaining, 237.218750 MB of memory in use. ENERGY: 3844200 4066.3602 20543.6619 14431.6920 239.0013 -203665.0345 2961.6833 0.0000 0.0000 52071.7488 -109350.8870 299.2571 -161422.6358 -108998.0065 299.0830 -130.1703 -100.3934 764403.3234 -3.4218 -3.4929 LDB: ============= START OF LOAD BALANCING ============== 12022.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12022.5 LDB: =============== DONE WITH MIGRATION ================ 12022.5 LDB: ============= START OF LOAD BALANCING ============== 12022.8 LDB: Largest compute 6998 load 0.027411 is 14.0% of average load 0.195343 LDB: Average compute 0.004359 is 2.2% of average load 0.195343 LDB: TIME 12022.8 LOAD: AVG 0.195343 MAX 0.214935 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.293 MB LDB: TIME 12022.8 LOAD: AVG 0.195343 MAX 0.214935 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.293 MB LDB: TIME 12022.8 LOAD: AVG 0.195343 MAX 0.214935 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.293 MB LDB: ============== END OF LOAD BALANCING =============== 12022.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12022.8 PRESSURE: 3844400 178.86 -218.323 -198.153 -218.323 12.392 -118.585 -198.153 -118.584 -183.009 GPRESSURE: 3844400 167.922 -239.556 -206.68 -252.296 20.8189 -48.3309 -118.369 -116.932 -93.6989 PRESSAVG: 3844400 -0.829595 -2.36523 19.3111 -2.36523 -1.00455 -18.5649 19.311 -18.5649 -22.7366 GPRESSAVG: 3844400 -0.783668 -2.83797 19.4329 -2.59343 -1.37098 -20.6009 17.4431 -17.3267 -22.8423 TIMING: 3844400 CPU: 12010.6, 0.00316607/step Wall: 12010.6, 0.00316607/step, 1.01631 hours remaining, 234.773438 MB of memory in use. ENERGY: 3844400 3976.8517 20644.7614 14473.2918 248.4864 -203524.6489 2992.4162 0.0000 0.0000 52107.0418 -109081.7996 299.4599 -161188.8414 -108720.5192 299.3681 2.7475 31.6806 763583.4464 -8.1902 -8.3323 PRESSURE: 3844600 68.8524 -72.3534 -52.1959 -72.3526 -66.4123 -16.6612 -52.1973 -16.6615 -118.145 GPRESSURE: 3844600 91.9361 -67.987 -105.253 -153.787 -5.71439 41.8729 -43.48 -14.5494 -117.45 PRESSAVG: 3844600 15.7656 9.1327 -60.5669 9.13268 -11.1677 -42.958 -60.5669 -42.958 3.05087 GPRESSAVG: 3844600 15.2228 9.7582 -59.7123 8.96818 -11.5031 -41.5847 -61.4379 -41.7619 3.64185 TIMING: 3844600 CPU: 12011.2, 0.00309732/step Wall: 12011.2, 0.00309732/step, 0.994067 hours remaining, 235.378906 MB of memory in use. ENERGY: 3844600 3951.5899 20665.0515 14308.6611 257.5892 -203124.3024 2595.7669 0.0000 0.0000 52322.6130 -109023.0308 300.6988 -161345.6438 -108659.3589 299.9843 -38.5684 -10.4095 764802.5519 2.5496 2.4539 PRESSURE: 3844800 -232.652 178.674 -295.746 178.674 -104.447 49.0426 -295.746 49.0426 -320.287 GPRESSURE: 3844800 -220.953 213.646 -226.663 169.176 -85.1248 64.1201 -264.634 24.6676 -273.264 PRESSAVG: 3844800 44.2267 20.0008 -3.8574 20.0008 -4.50602 -64.0229 -3.85733 -64.0229 -11.6615 GPRESSAVG: 3844800 43.8165 21.3437 -4.24534 22.5091 -3.63566 -65.2087 -3.24057 -63.5016 -12.3337 TIMING: 3844800 CPU: 12011.9, 0.00309705/step Wall: 12011.9, 0.00309705/step, 0.99381 hours remaining, 235.378906 MB of memory in use. ENERGY: 3844800 4077.0214 20614.2299 14436.4328 237.4373 -203199.8481 2472.4488 0.0000 0.0000 52130.9858 -109231.2923 299.5975 -161362.2780 -108853.5889 299.5840 -219.1287 -193.1139 762302.4852 9.3531 9.2824 PRESSURE: 3845000 98.8547 -9.60455 114.943 -9.60408 -128.631 -37.1524 114.943 -37.1512 -47.4593 GPRESSURE: 3845000 148.493 -89.2823 114.838 -37.0126 -121.935 -65.4113 144.139 -15.4739 -42.1732 PRESSAVG: 3845000 36.4858 14.559 -8.90041 14.559 -41.4175 25.1519 -8.90041 25.152 15.8253 GPRESSAVG: 3845000 37.3557 14.4303 -8.87245 12.0198 -43.2012 26.2838 -6.93649 24.1836 16.494 TIMING: 3845000 CPU: 12012.5, 0.00309882/step Wall: 12012.5, 0.00309883/step, 0.994206 hours remaining, 235.378906 MB of memory in use. ENERGY: 3845000 4040.7516 20418.8701 14443.7723 254.0961 -203236.0502 2620.8609 0.0000 0.0000 52313.8722 -109143.8269 300.6485 -161457.6991 -108794.0180 299.3373 -25.7452 -5.2049 761709.9837 3.6312 3.5495 PRESSURE: 3845200 -72.723 215.668 -114.037 215.666 -244.521 -71.2461 -114.036 -71.2469 -210.799 GPRESSURE: 3845200 -22.8597 237.159 -159.701 221.638 -261.28 -79.0345 -116.619 -98.0834 -156.596 PRESSAVG: 3845200 35.8634 31.2149 7.92842 31.2148 -73.143 -1.06189 7.92842 -1.06183 8.90219 GPRESSAVG: 3845200 35.4469 31.3022 5.96223 29.8502 -71.7317 -1.73449 6.98938 -1.86889 8.13407 TIMING: 3845200 CPU: 12013.1, 0.0030907/step Wall: 12013.1, 0.0030907/step, 0.991427 hours remaining, 235.378906 MB of memory in use. ENERGY: 3845200 3981.3403 20449.1381 14481.7528 249.7788 -203128.4386 2535.3905 0.0000 0.0000 52220.9445 -109210.0937 300.1145 -161431.0382 -108846.9918 299.7221 -176.0144 -146.9116 762924.8066 -9.4592 -9.3836 PRESSURE: 3845400 -355.82 -111.276 -107.449 -111.277 -80.3574 160.401 -107.449 160.401 -16.0234 GPRESSURE: 3845400 -327.638 -52.0752 -143.625 -2.49775 -96.6312 172.055 59.0441 135.991 55.5565 PRESSAVG: 3845400 34.4034 33.0203 34.5919 33.0203 -19.3475 5.99358 34.5919 5.9936 2.94794 GPRESSAVG: 3845400 34.5889 34.3425 35.2774 34.3053 -20.0943 7.21458 33.9387 5.68525 3.25219 TIMING: 3845400 CPU: 12013.7, 0.00309855/step Wall: 12013.7, 0.00309855/step, 0.993773 hours remaining, 235.378906 MB of memory in use. ENERGY: 3845400 3962.9835 20592.0899 14459.2267 251.3191 -203126.5703 2560.0198 0.0000 0.0000 51995.8683 -109305.0630 298.8210 -161300.9313 -108945.1564 299.5094 -150.7336 -122.9041 761357.0898 6.0013 5.9156 PRESSURE: 3845600 -57.8793 -23.0397 58.6203 -23.0398 26.9509 -102.835 58.62 -102.834 -394.869 GPRESSURE: 3845600 37.9177 97.0695 41.0901 0.593087 23.703 -149.349 -12.7984 -128.685 -416.255 PRESSAVG: 3845600 37.7944 -6.44356 11.9817 -6.44354 -52.0795 -48.9396 11.9817 -48.9396 -38.4714 GPRESSAVG: 3845600 37.4985 -7.10316 11.791 -7.72684 -51.437 -50.7419 13.2282 -46.9046 -38.7021 TIMING: 3845600 CPU: 12014.3, 0.00313151/step Wall: 12014.3, 0.00313151/step, 1.00417 hours remaining, 235.378906 MB of memory in use. ENERGY: 3845600 3951.6257 20442.8189 14421.8333 295.6624 -203483.5531 2825.8487 0.0000 0.0000 52184.5138 -109361.2503 299.9051 -161545.7641 -108995.3761 298.9161 -141.9326 -118.2113 762479.6323 -17.5855 -17.5469 PRESSURE: 3845800 56.5726 -117.308 -147.606 -117.308 -311.326 78.6796 -147.606 78.6781 550.928 GPRESSURE: 3845800 123.189 -148.052 -94.0093 -91.1656 -263.794 48.0589 -172.831 -16.1552 507.705 PRESSAVG: 3845800 -7.80743 -11.3823 63.424 -11.3823 -8.64736 14.7696 63.424 14.7696 30.439 GPRESSAVG: 3845800 -6.70769 -12.2508 64.2093 -9.55267 -9.77952 15.3684 61.7131 13.2401 30.0706 TIMING: 3845800 CPU: 12015, 0.00312149/step Wall: 12015, 0.00312149/step, 1.00079 hours remaining, 235.367188 MB of memory in use. ENERGY: 3845800 3902.9414 20510.6615 14458.6045 241.4523 -203462.6426 2728.9235 0.0000 0.0000 52098.1475 -109521.9119 299.4088 -161620.0593 -109157.7886 298.4844 98.7247 122.3669 763364.1318 4.6614 4.5278 PRESSURE: 3846000 60.7652 -192.822 -156.74 -192.821 306.881 -50.6207 -156.74 -50.6205 141.072 GPRESSURE: 3846000 68.0722 -240.83 -182.298 -125.9 392.993 -111.493 -61.5507 81.1621 106.244 PRESSAVG: 3846000 57.5532 -40.9798 -14.8295 -40.9798 -62.6578 51.0479 -14.8295 51.0479 9.98571 GPRESSAVG: 3846000 57.4695 -41.3058 -14.3656 -43.5002 -62.2594 50.9141 -13.9318 50.2952 9.50793 TIMING: 3846000 CPU: 12015.6, 0.00311096/step Wall: 12015.6, 0.00311096/step, 0.997237 hours remaining, 235.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3846000 3955.3048 20545.8603 14468.1612 250.1657 -203274.1157 2943.3308 0.0000 0.0000 51628.6139 -109482.6789 296.7104 -161111.2928 -109121.1951 298.6788 169.5728 189.1030 763753.8196 1.6270 1.5727 PRESSURE: 3846200 -212.024 -224.096 140.684 -224.095 -125.801 -218.577 140.684 -218.577 142.652 GPRESSURE: 3846200 -153.703 -276.387 141.734 -106.295 -87.4523 -127.503 84.0118 -174.942 115.375 PRESSAVG: 3846200 22.3805 -19.3253 39.0171 -19.3253 19.8568 -14.8967 39.017 -14.8967 -0.618552 GPRESSAVG: 3846200 20.755 -17.5425 39.4019 -17.617 19.4943 -13.5078 38.9774 -12.4409 1.39462 TIMING: 3846200 CPU: 12016.2, 0.00312697/step Wall: 12016.2, 0.00312697/step, 1.0022 hours remaining, 235.378906 MB of memory in use. ENERGY: 3846200 4010.8777 20441.6361 14477.3595 243.5882 -203005.7527 2535.7702 0.0000 0.0000 51943.5732 -109352.9478 298.5204 -161296.5210 -108991.2518 298.8379 -65.0577 -41.9267 763283.4654 13.8729 13.8813 PRESSURE: 3846400 353.859 -71.4964 53.7061 -71.4972 -80.5859 42.1414 53.7066 42.1417 -188.977 GPRESSURE: 3846400 325.454 -54.3509 165.023 -60.6445 4.0645 112.422 117.297 6.87389 -144.908 PRESSAVG: 3846400 7.05035 9.44966 30.2579 9.44967 5.47512 -20.5206 30.2579 -20.5206 6.21583 GPRESSAVG: 3846400 9.35839 9.03518 30.1661 7.8137 5.47616 -22.3499 30.6271 -23.6178 4.05833 TIMING: 3846400 CPU: 12016.8, 0.00313249/step Wall: 12016.8, 0.00313249/step, 1.00379 hours remaining, 235.378906 MB of memory in use. ENERGY: 3846400 3930.3723 20373.1979 14436.8728 236.8134 -203230.6038 2903.0656 0.0000 0.0000 52101.0664 -109249.2154 299.4255 -161350.2818 -108886.6997 299.1902 28.0989 61.5369 762483.3680 6.2471 6.2976 PRESSURE: 3846600 -142.808 -101.795 277.801 -101.795 165.108 -98.6285 277.801 -98.6287 -290.703 GPRESSURE: 3846600 79.4211 -31.7523 330.221 -207.852 14.6316 -143.457 289.214 -5.81825 -264.915 PRESSAVG: 3846600 -6.47464 -9.43837 14.9743 -9.43839 -4.85023 23.5732 14.9743 23.5732 14.4344 GPRESSAVG: 3846600 -8.16775 -9.87081 14.6998 -8.68438 -4.20565 24.0787 16.4019 24.4356 16.1179 TIMING: 3846600 CPU: 12017.5, 0.00311655/step Wall: 12017.5, 0.00311655/step, 0.998509 hours remaining, 235.378906 MB of memory in use. ENERGY: 3846600 4070.4565 20412.8973 14442.8861 242.9979 -203186.0335 2643.3058 0.0000 0.0000 52175.8573 -109197.6326 299.8554 -161373.4899 -108832.2075 299.3391 -89.4678 -56.9541 763110.6659 1.0365 1.2482 PRESSURE: 3846800 -130.737 -31.5701 -110.741 -31.5702 258.37 -122.249 -110.741 -122.249 8.01362 GPRESSURE: 3846800 -147.246 -47.5207 -77.5778 -35.8495 292.999 -62.5561 -118.52 -146.577 67.1378 PRESSAVG: 3846800 23.1058 20.7837 -16.2082 20.7836 -24.637 14.2234 -16.2082 14.2234 -7.83514 GPRESSAVG: 3846800 24.569 21.1428 -16.5374 20.475 -25.7001 15.8524 -16.1292 15.5248 -8.87081 TIMING: 3846800 CPU: 12018.1, 0.00310154/step Wall: 12018.1, 0.00310154/step, 0.993528 hours remaining, 235.378906 MB of memory in use. ENERGY: 3846800 3967.7040 20544.9229 14463.7027 242.1906 -203163.4952 2560.1952 0.0000 0.0000 52178.8800 -109205.8998 299.8727 -161384.7798 -108844.5600 299.8139 45.2152 70.9636 762275.3392 -3.1221 -3.3340 PRESSURE: 3847000 -159.368 -69.5145 99.1021 -69.5133 133.896 167.843 99.1027 167.843 163.031 GPRESSURE: 3847000 -30.8006 -70.491 101.85 -129.715 139.838 64.4049 197.085 113.776 125.55 PRESSAVG: 3847000 -47.9593 -39.5366 -29.3499 -39.5366 27.6074 -10.3455 -29.3498 -10.3455 6.51064 GPRESSAVG: 3847000 -48.8841 -40.3315 -29.0726 -37.8071 28.2712 -12.7839 -31.1973 -8.49023 7.26688 TIMING: 3847000 CPU: 12018.7, 0.00310156/step Wall: 12018.7, 0.00310156/step, 0.993362 hours remaining, 235.378906 MB of memory in use. ENERGY: 3847000 4044.3746 20454.8313 14448.5403 245.5953 -203382.7079 2794.6999 0.0000 0.0000 52317.8100 -109076.8565 300.6712 -161394.6665 -108717.6325 299.9497 45.8530 78.1960 761258.2855 -4.6137 -4.4487 PRESSURE: 3847200 228.47 -19.1752 79.2824 -19.1749 58.8861 117.047 79.2828 117.047 66.6676 GPRESSURE: 3847200 185.211 -23.0144 72.8257 35.9909 130.994 69.0752 21.5324 80.743 136.962 PRESSAVG: 3847200 -14.225 -60.9613 8.77051 -60.9613 28.4997 -4.12031 8.77057 -4.12039 -3.29889 GPRESSAVG: 3847200 -14.6511 -59.2001 10.2065 -60.8574 29.3964 -3.38217 8.50544 -5.03279 -3.83396 TIMING: 3847200 CPU: 12019.3, 0.00312169/step Wall: 12019.3, 0.00312169/step, 0.999635 hours remaining, 235.378906 MB of memory in use. ENERGY: 3847200 3949.0062 20504.1270 14477.2347 250.4497 -203463.3736 2804.2901 0.0000 0.0000 52317.1502 -109161.1158 300.6674 -161478.2660 -108801.4740 299.4956 118.0078 151.0555 761394.4950 3.6586 3.6371 PRESSURE: 3847400 36.0707 94.187 -92.584 94.187 -42.9207 -163.792 -92.5843 -163.792 63.0737 GPRESSURE: 3847400 69.9151 66.0027 -56.3722 72.2799 -5.45935 -124.37 -30.9396 -116.049 82.6069 PRESSAVG: 3847400 40.7299 -63.7017 -16.8427 -63.7017 -65.1473 -9.30119 -16.8427 -9.30121 -12.2184 GPRESSAVG: 3847400 41.1851 -66.3226 -15.1543 -63.974 -65.7318 -9.97158 -18.4289 -9.84197 -12.3223 TIMING: 3847400 CPU: 12019.9, 0.00313022/step Wall: 12019.9, 0.00313023/step, 1.00219 hours remaining, 235.378906 MB of memory in use. ENERGY: 3847400 3895.1690 20457.7005 14435.3292 253.9454 -203028.7786 2577.2529 0.0000 0.0000 52013.3210 -109396.0606 298.9213 -161409.3816 -109036.6993 299.3595 18.7412 49.0209 762984.8525 -12.2120 -12.2897 PRESSURE: 3847600 6.98175 -358.989 126.855 -358.989 -90.1508 55.0651 126.855 55.0651 -147.15 GPRESSURE: 3847600 4.20996 -273.379 181.347 -433.631 -63.7694 17.8755 83.9871 64.7316 -87.3122 PRESSAVG: 3847600 34.3427 -48.9444 -1.9716 -48.9444 -22.7105 41.3001 -1.97158 41.3002 -5.7855 GPRESSAVG: 3847600 34.6036 -47.7761 -5.11727 -49.6183 -22.2172 42.3019 2.31039 41.061 -6.61355 TIMING: 3847600 CPU: 12020.6, 0.00315006/step Wall: 12020.6, 0.00315006/step, 1.00837 hours remaining, 235.378906 MB of memory in use. ENERGY: 3847600 3964.0201 20450.9505 14472.0591 258.2324 -203207.4221 2449.1116 0.0000 0.0000 52283.6610 -109329.3874 300.4749 -161613.0484 -108958.9290 299.3050 -76.7729 -48.9572 761922.1107 1.9489 1.9243 PRESSURE: 3847800 138.193 -37.1597 -32.7686 -37.1605 139.255 192.712 -32.7691 192.712 -76.5515 GPRESSURE: 3847800 187.647 34.5582 24.4423 -1.80962 79.5024 318.646 -35.3697 325.856 13.4937 PRESSAVG: 3847800 -2.93435 -27.9249 6.0345 -27.925 -0.21213 38.4868 6.03446 38.4868 7.39429 GPRESSAVG: 3847800 -3.6285 -28.4934 6.66521 -26.0054 -0.813908 39.5699 3.3965 37.5778 8.23995 TIMING: 3847800 CPU: 12021.2, 0.0031184/step Wall: 12021.2, 0.0031184/step, 0.998061 hours remaining, 235.378906 MB of memory in use. ENERGY: 3847800 4021.7176 20624.5851 14458.5025 242.0604 -203801.6244 2957.4117 0.0000 0.0000 52038.0111 -109459.3361 299.0632 -161497.3471 -109107.1916 299.2117 66.9657 93.5478 761501.3956 1.4159 1.2658 PRESSURE: 3848000 45.4144 -132.562 51.5327 -132.563 -231.956 128.99 51.5329 128.989 59.4532 GPRESSURE: 3848000 25.3082 -81.4902 -29.1965 -220.231 -106.673 149.592 75.4558 151.7 46.3792 PRESSAVG: 3848000 27.2697 44.2832 -2.8033 44.2831 -5.69254 33.5617 -2.80324 33.5617 19.8253 GPRESSAVG: 3848000 27.7547 44.5718 -3.06281 43.3051 -5.1611 33.4742 -0.385609 35.7858 18.55 TIMING: 3848000 CPU: 12021.8, 0.00311655/step Wall: 12021.8, 0.00311655/step, 0.997295 hours remaining, 235.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3848000 4065.1280 20472.4615 14430.4441 238.9110 -203933.0050 3023.0745 0.0000 0.0000 51863.9575 -109839.0284 298.0629 -161702.9859 -109482.6775 298.4874 -42.3627 -11.6620 761275.1540 13.8008 13.7145 PRESSURE: 3848200 -313.861 -20.2734 -19.9056 -20.2741 51.1016 -92.2754 -19.9056 -92.275 -416.315 GPRESSURE: 3848200 -301.762 -72.4345 74.2174 1.89748 -22.9208 -165.76 -98.1489 -109.432 -275.204 PRESSAVG: 3848200 -28.3565 -9.54125 -9.69522 -9.54121 11.4334 6.98544 -9.69515 6.98545 -4.75573 GPRESSAVG: 3848200 -29.6768 -10.5549 -8.97312 -7.91068 11.7426 6.70425 -10.7682 4.11842 -4.18691 TIMING: 3848200 CPU: 12022.5, 0.00312662/step Wall: 12022.5, 0.00312662/step, 1.00035 hours remaining, 235.378906 MB of memory in use. ENERGY: 3848200 4001.9792 20435.9475 14442.4493 248.6144 -203695.6269 2638.6398 0.0000 0.0000 52071.5804 -109856.4163 299.2561 -161927.9967 -109493.5696 298.1662 -226.3582 -199.9621 762332.3988 -7.2263 -7.3737 LDB: ============= START OF LOAD BALANCING ============== 12034.9 LDB: ============== END OF LOAD BALANCING =============== 12034.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12034.9 LDB: ============= START OF LOAD BALANCING ============== 12035.2 LDB: Largest compute 7007 load 0.027960 is 14.3% of average load 0.195351 LDB: Average compute 0.004353 is 2.2% of average load 0.195351 LDB: TIME 12035.3 LOAD: AVG 0.195351 MAX 0.216114 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.289 MB LDB: TIME 12035.3 LOAD: AVG 0.195351 MAX 0.216114 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.359 MB LDB: TIME 12035.3 LOAD: AVG 0.195351 MAX 0.216114 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.359 MB LDB: ============== END OF LOAD BALANCING =============== 12035.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12035.3 PRESSURE: 3848400 -288.552 -191.729 -162.07 -191.729 -150.696 163.943 -162.069 163.944 -154.376 GPRESSURE: 3848400 -233.367 -106.548 -55.4535 -273.361 -184.664 118.294 -82.7144 188.369 -88.3396 PRESSAVG: 3848400 -45.7316 10.8456 18.2106 10.8457 11.3375 -48.1988 18.2107 -48.1988 -5.40519 GPRESSAVG: 3848400 -47.6688 11.4989 18.7194 8.15632 10.2183 -48.2627 17.616 -46.3449 -3.01651 TIMING: 3848400 CPU: 12023.1, 0.0032111/step Wall: 12023.1, 0.0032111/step, 1.02719 hours remaining, 234.507812 MB of memory in use. ENERGY: 3848400 4012.8971 20392.7119 14483.3822 233.8839 -203560.6448 2692.6244 0.0000 0.0000 51881.7363 -109863.4091 298.1651 -161745.1454 -109497.8127 297.9970 -197.8749 -168.7903 760674.5122 -13.2664 -13.4890 PRESSURE: 3848600 159.596 -109.531 -66.2804 -109.53 -648.667 -116.222 -66.2797 -116.224 -52.3148 GPRESSURE: 3848600 142.624 -121.942 -35.4567 -143.734 -508.704 -185.284 -17.5428 -135.01 -73.0772 PRESSAVG: 3848600 -4.23607 27.9326 53.612 27.9326 5.35071 34.7082 53.612 34.7081 -3.35908 GPRESSAVG: 3848600 -2.74587 28.2979 52.278 27.0139 5.68355 36.2402 55.5871 34.1189 -5.44666 TIMING: 3848600 CPU: 12023.7, 0.0031203/step Wall: 12023.7, 0.0031203/step, 0.997975 hours remaining, 234.562500 MB of memory in use. ENERGY: 3848600 4035.8547 20383.1899 14526.0313 245.9781 -203605.9746 2752.0170 0.0000 0.0000 51790.8640 -109872.0397 297.6428 -161662.9036 -109517.8148 297.5074 -180.4616 -146.3860 762788.8773 -0.7481 -0.8363 PRESSURE: 3848800 150.973 -153.645 34.5655 -153.646 458.832 71.6382 34.5652 71.6394 106.576 GPRESSURE: 3848800 197.077 -96.9787 24.6263 -114.302 407.328 154.433 23.0005 71.9126 178.911 PRESSAVG: 3848800 11.7319 6.02197 -15.1896 6.02194 -9.55454 -32.2954 -15.1896 -32.2955 14.5378 GPRESSAVG: 3848800 13.1043 4.2943 -15.2968 8.56284 -9.86446 -33.7727 -17.2763 -33.2312 13.5326 TIMING: 3848800 CPU: 12024.3, 0.00310528/step Wall: 12024.3, 0.00310528/step, 0.993 hours remaining, 234.562500 MB of memory in use. ENERGY: 3848800 3975.8089 20467.2416 14477.6552 261.8919 -204012.0218 2991.4123 0.0000 0.0000 52099.7983 -109738.2135 299.4183 -161838.0119 -109374.0889 298.6283 238.7934 261.1056 762003.9817 5.5717 5.5908 PRESSURE: 3849000 -85.174 -82.291 16.4097 -82.2911 76.1966 -59.1184 16.4097 -59.1195 -207.707 GPRESSURE: 3849000 -30.6516 12.772 30.6791 -100.27 164.753 58.366 12.2845 -163.961 -266.311 PRESSAVG: 3849000 -61.9957 -48.6795 -37.4617 -48.6796 24.289 -42.6563 -37.4617 -42.6563 -4.9349 GPRESSAVG: 3849000 -62.5942 -47.4363 -37.1578 -50.1032 23.8094 -43.0823 -36.4051 -41.5254 -3.63075 TIMING: 3849000 CPU: 12025, 0.00312156/step Wall: 12025, 0.00312156/step, 0.998033 hours remaining, 234.644531 MB of memory in use. ENERGY: 3849000 4008.7404 20579.4814 14408.0897 255.6261 -203348.5270 2606.0524 0.0000 0.0000 52120.9347 -109369.6022 299.5397 -161490.5369 -109001.4093 298.7787 -72.2280 -44.0696 763287.5917 -14.2139 -14.1385 PRESSURE: 3849200 -338.774 73.0405 155.48 73.0413 -197.053 -160.068 155.479 -160.068 -308.883 GPRESSURE: 3849200 -377.586 62.5155 63.3654 -76.3632 -168.127 -137.719 229.817 -132.414 -241.726 PRESSAVG: 3849200 -42.6829 -27.5466 74.3667 -27.5465 46.7847 -49.1088 74.3667 -49.1089 14.6041 GPRESSAVG: 3849200 -41.8772 -26.7953 73.5329 -28.4295 46.7934 -48.468 74.667 -48.8204 13.4666 TIMING: 3849200 CPU: 12025.6, 0.00310989/step Wall: 12025.6, 0.00310989/step, 0.994127 hours remaining, 234.628906 MB of memory in use. ENERGY: 3849200 4007.4244 20699.7261 14457.4230 241.6306 -202812.2806 2218.3158 0.0000 0.0000 51768.5409 -109419.2199 297.5145 -161187.7608 -109066.0371 298.8598 -281.5702 -262.4797 762525.9409 6.2353 6.1276 PRESSURE: 3849400 -36.0718 160.097 -123.902 160.097 -8.80467 57.5058 -123.902 57.5056 -113.663 GPRESSURE: 3849400 62.6004 145.343 -116.84 131.994 -16.3028 -20.9198 -121.541 -7.85831 -116.161 PRESSAVG: 3849400 -35.4496 -55.9959 -16.0769 -55.9959 41.9254 -26.5108 -16.0769 -26.5108 -6.83183 GPRESSAVG: 3849400 -36.1459 -57.9045 -16.1785 -54.1357 42.2445 -26.3205 -16.2883 -26.5594 -6.17436 TIMING: 3849400 CPU: 12026.2, 0.00310997/step Wall: 12026.2, 0.00310997/step, 0.99398 hours remaining, 234.644531 MB of memory in use. ENERGY: 3849400 4029.6503 20398.0002 14383.8557 280.1492 -203254.7780 2687.0522 0.0000 0.0000 52048.8104 -109427.2600 299.1252 -161476.0704 -109065.5079 298.8346 -52.8466 -23.2877 762559.2098 -0.1187 -0.0253 PRESSURE: 3849600 -285.759 -28.7232 -188.931 -28.7234 67.9579 -16.0808 -188.932 -16.0812 -146.472 GPRESSURE: 3849600 -222.326 22.9802 -170.815 14.4688 64.0651 -63.7029 -145.243 -5.96856 -113.976 PRESSAVG: 3849600 -94.6821 20.1761 16.3552 20.1761 70.3947 6.63308 16.3552 6.63305 -2.50386 GPRESSAVG: 3849600 -92.9174 22.5164 16.9595 17.4425 68.9937 5.55147 14.9012 4.28543 -2.87794 TIMING: 3849600 CPU: 12026.8, 0.00311304/step Wall: 12026.8, 0.00311304/step, 0.99479 hours remaining, 234.644531 MB of memory in use. ENERGY: 3849600 4032.6714 20615.4830 14400.1300 285.8269 -203365.8179 2709.0532 0.0000 0.0000 51863.0219 -109459.6315 298.0575 -161322.6534 -109097.3998 299.0417 -121.4244 -90.7454 762301.9788 -8.9304 -8.9339 PRESSURE: 3849800 511.403 -81.5022 -56.1141 -81.5022 315.855 93.7792 -56.1142 93.7798 -20.8308 GPRESSURE: 3849800 501.303 -0.722723 42.9345 45.8787 410.296 166.44 -47.8638 53.3668 -26.5343 PRESSAVG: 3849800 -34.6469 10.3996 -24.717 10.3995 3.66168 12.9699 -24.717 12.97 -4.99227 GPRESSAVG: 3849800 -36.0537 9.47048 -24.917 12.5003 5.4994 13.1907 -23.993 16.8382 -5.57618 TIMING: 3849800 CPU: 12027.4, 0.0030889/step Wall: 12027.4, 0.0030889/step, 0.986905 hours remaining, 234.644531 MB of memory in use. ENERGY: 3849800 3932.1202 20657.5838 14373.2110 245.4173 -203896.0255 3104.6340 0.0000 0.0000 52184.8680 -109398.1912 299.9072 -161583.0591 -109027.9847 299.0719 268.8090 295.0215 762201.2262 -11.9925 -12.0435 PRESSURE: 3850000 -98.3717 140.01 -59.7146 140.011 -261.162 113.999 -59.715 114 -378.716 GPRESSURE: 3850000 -44.7132 57.724 -59.6585 132.5 -161.124 134.451 -23.9563 12.7486 -456.244 PRESSAVG: 3850000 -50.1432 -31.4583 -34.5249 -31.4582 15.622 34.0667 -34.5249 34.0666 2.6125 GPRESSAVG: 3850000 -51.232 -31.3337 -33.6622 -32.6476 16.1353 32.6136 -35.5768 32.8408 3.28458 TIMING: 3850000 CPU: 12028.1, 0.00311613/step Wall: 12028.1, 0.00311614/step, 0.995432 hours remaining, 234.644531 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: 3850000 4096.2286 20475.9161 14507.4475 255.7457 -203740.7670 2984.7730 0.0000 0.0000 51975.1206 -109445.5356 298.7017 -161420.6562 -109089.2053 299.1157 -246.0834 -220.6938 763313.0943 -10.6362 -10.6040 PRESSURE: 3850200 311.138 -29.2739 152.988 -29.2734 -163.784 -33.2806 152.987 -33.2802 99.934 GPRESSURE: 3850200 312.333 9.92891 192.809 0.705809 -86.7783 -61.996 16.162 -35.8149 90.2351 PRESSAVG: 3850200 -41.0639 -4.26084 41.1551 -4.26081 -4.80125 -14.9842 41.1552 -14.9842 10.7288 GPRESSAVG: 3850200 -40.5241 -5.37132 40.0565 -4.98174 -5.70552 -11.8686 41.5064 -16.5999 11.7156 TIMING: 3850200 CPU: 12028.7, 0.00311968/step Wall: 12028.7, 0.00311968/step, 0.996392 hours remaining, 234.644531 MB of memory in use. ENERGY: 3850200 3919.4082 20737.9853 14398.7364 252.4491 -203346.8588 2717.9127 0.0000 0.0000 51905.7843 -109414.5827 298.3033 -161320.3670 -109055.9308 299.1908 82.4296 105.2631 761888.0874 -11.7121 -11.5047 PRESSURE: 3850400 -17.0923 117.77 -28.2664 117.77 405.954 -52.2614 -28.2664 -52.2614 -57.1747 GPRESSURE: 3850400 -68.4641 144.314 7.96464 106.362 401.925 -71.7549 -22.0047 -108.479 62.085 PRESSAVG: 3850400 -33.6033 -72.0462 -13.9874 -72.0463 22.6013 3.82457 -13.9874 3.82454 25.7227 GPRESSAVG: 3850400 -34.7011 -72.483 -14.4118 -70.2807 23.1142 3.06257 -13.5117 4.47907 26.1513 TIMING: 3850400 CPU: 12029.3, 0.00310279/step Wall: 12029.3, 0.00310279/step, 0.990826 hours remaining, 234.644531 MB of memory in use. ENERGY: 3850400 3961.8175 20593.6614 14407.0074 290.0612 -204001.2159 3141.7530 0.0000 0.0000 52224.1954 -109382.7200 300.1332 -161606.9154 -109016.9190 299.0718 110.5623 131.8485 760283.0606 4.9069 4.8548 PRESSURE: 3850600 -66.1585 246.518 12.2078 246.518 184.118 -146.702 12.2072 -146.702 25.766 GPRESSURE: 3850600 13.0584 234.761 -16.2957 138.376 148.404 -84.5627 -33.4394 -90.2118 55.4305 PRESSAVG: 3850600 -10.869 -66.8482 -25.5084 -66.8481 46.2556 7.80501 -25.5084 7.80499 7.27426 GPRESSAVG: 3850600 -9.1034 -65.6279 -24.5542 -68.8574 44.0731 6.92315 -24.4555 9.15669 7.49658 TIMING: 3850600 CPU: 12029.9, 0.00311196/step Wall: 12029.9, 0.00311196/step, 0.993579 hours remaining, 234.644531 MB of memory in use. ENERGY: 3850600 3862.2776 20416.2083 14440.6346 223.9488 -203683.4813 3137.3992 0.0000 0.0000 52159.5530 -109443.4598 299.7617 -161603.0128 -109075.8420 298.9912 47.9086 72.2976 761279.8951 14.2203 14.1554 PRESSURE: 3850800 150.598 -22.033 273.356 -22.0323 375.549 -389.124 273.356 -389.123 378.692 GPRESSURE: 3850800 168.785 -110.495 162.481 55.2645 426.162 -385.361 262.267 -238.673 386.012 PRESSAVG: 3850800 -29.6081 0.431689 -15.5551 0.431753 53.8791 -15.2355 -15.5551 -15.2354 26.1419 GPRESSAVG: 3850800 -30.8132 -0.268917 -16.1287 1.44732 53.7424 -15.4788 -16.4131 -15.3835 27.1942 TIMING: 3850800 CPU: 12030.6, 0.0031452/step Wall: 12030.6, 0.0031452/step, 1.00402 hours remaining, 234.644531 MB of memory in use. ENERGY: 3850800 3940.5253 20429.9170 14496.3227 262.7691 -203472.0570 2832.7030 0.0000 0.0000 51982.4913 -109527.3286 298.7441 -161509.8199 -109156.0511 298.8883 301.6134 326.9865 762426.6428 16.8043 16.7078 PRESSURE: 3851000 196.911 44.2303 177.451 44.2297 84.2311 -1.17601 177.45 -1.17519 269.398 GPRESSURE: 3851000 269.754 -46.9257 101.321 106.685 56.3358 -46.5792 114.575 -13.3657 301.174 PRESSAVG: 3851000 -56.325 13.466 1.78369 13.466 23.0822 -5.65359 1.78367 -5.65367 14.8104 GPRESSAVG: 3851000 -57.6845 14.2207 2.04327 11.5462 24.6214 -5.23677 3.18571 -5.18649 14.1815 TIMING: 3851000 CPU: 12031.2, 0.00311096/step Wall: 12031.2, 0.00311096/step, 0.992914 hours remaining, 234.644531 MB of memory in use. ENERGY: 3851000 3962.1998 20659.5617 14488.3376 269.7601 -203856.7923 3173.2096 0.0000 0.0000 51757.6278 -109546.0958 297.4518 -161303.7235 -109192.6660 298.6491 183.5135 209.0879 763598.1739 -6.1441 -6.2939 PRESSURE: 3851200 -229.119 -167.355 54.8064 -167.354 -125.931 -94.2893 54.8059 -94.2889 -779.098 GPRESSURE: 3851200 -155.854 -197.384 90.1629 -140.29 -173.681 -170.326 102.992 25.2705 -723.098 PRESSAVG: 3851200 33.3716 39.0807 3.67902 39.0806 -20.6903 -2.17158 3.67901 -2.17152 -21.7365 GPRESSAVG: 3851200 35.5215 38.6137 3.78989 41.9127 -21.5604 -3.6202 4.24463 -1.50895 -22.843 TIMING: 3851200 CPU: 12031.8, 0.00312076/step Wall: 12031.8, 0.00312076/step, 0.99587 hours remaining, 234.644531 MB of memory in use. ENERGY: 3851200 4030.9058 20510.1609 14393.2199 243.2220 -203079.0322 2638.5254 0.0000 0.0000 51773.7605 -109489.2376 297.5445 -161262.9981 -109123.0277 298.2985 -378.0495 -350.8779 763683.1487 -3.0184 -2.9606 PRESSURE: 3851400 70.8554 80.2358 125.648 80.2362 -56.4304 -158.982 125.649 -158.981 -327.979 GPRESSURE: 3851400 -1.00358 4.70091 89.6136 169.996 -6.49136 -172.816 94.2674 -13.644 -256.883 PRESSAVG: 3851400 46.671 0.199376 -0.294134 0.199426 -35.0491 -8.87134 -0.294181 -8.87125 4.5377 GPRESSAVG: 3851400 45.2251 0.546594 -1.44505 1.67546 -33.6362 -6.22403 -1.35614 -11.2288 4.01178 TIMING: 3851400 CPU: 12032.4, 0.00312484/step Wall: 12032.4, 0.00312484/step, 0.996997 hours remaining, 234.644531 MB of memory in use. ENERGY: 3851400 3939.6247 20570.9996 14383.2444 249.3401 -203518.4995 2772.6500 0.0000 0.0000 52019.9265 -109582.7141 298.9592 -161602.6406 -109225.9421 298.1278 -104.5182 -88.1260 762494.6873 5.3865 5.2003 PRESSURE: 3851600 -366.809 127.524 43.152 127.524 -117.01 -26.3419 43.1522 -26.3415 46.6586 GPRESSURE: 3851600 -289.903 24.301 -28.0959 172.238 -117.628 69.9531 2.05684 -32.0873 48.2728 PRESSAVG: 3851600 -8.0037 52.166 -32.7056 52.166 -27.6733 -11.1121 -32.7056 -11.112 -0.0240469 GPRESSAVG: 3851600 -6.96856 50.2907 -30.5702 51.4711 -28.4287 -11.6 -34.8811 -9.99798 -0.122911 TIMING: 3851600 CPU: 12033.1, 0.00310283/step Wall: 12033.1, 0.00310283/step, 0.989802 hours remaining, 234.644531 MB of memory in use. ENERGY: 3851600 3913.3764 20618.0577 14383.6897 258.5400 -203012.5063 2323.4899 0.0000 0.0000 51995.6509 -109519.7017 298.8197 -161515.3526 -109157.5024 298.6177 -145.7200 -119.7526 763079.2532 -11.9004 -11.8401 PRESSURE: 3851800 20.0794 -112.306 -150.054 -112.306 -182.238 42.8057 -150.054 42.8072 56.3914 GPRESSURE: 3851800 76.5305 -25.1934 -176.514 -95.9247 -178.579 31.9582 -5.54599 59.065 70.9782 PRESSAVG: 3851800 30.8352 19.7516 12.253 19.7515 -57.0121 -9.08702 12.253 -9.08694 9.5203 GPRESSAVG: 3851800 30.9246 22.9337 9.43358 19.134 -57.7355 -7.82355 13.7653 -11.1174 10.6533 TIMING: 3851800 CPU: 12033.7, 0.0031042/step Wall: 12033.7, 0.0031042/step, 0.990069 hours remaining, 234.644531 MB of memory in use. ENERGY: 3851800 4008.9902 20514.7168 14411.1981 256.7762 -203566.5494 2790.6957 0.0000 0.0000 52046.1452 -109538.0271 299.1099 -161584.1723 -109171.7068 298.6605 -35.2556 -10.3566 762155.8079 -5.5522 -5.3859 PRESSURE: 3852000 -41.4808 196.355 -174.044 196.355 -102.255 63.4734 -174.047 63.4734 145.361 GPRESSURE: 3852000 1.7228 185.963 -220.388 219.478 -85.2179 22.9132 -275.565 26.4381 179.552 PRESSAVG: 3852000 1.16955 16.1626 12.6965 16.1626 -0.931751 -11.1191 12.6964 -11.1192 -1.55531 GPRESSAVG: 3852000 1.47564 16.3488 14.5753 14.6902 0.161834 -12.888 12.5925 -8.28999 -2.5396 TIMING: 3852000 CPU: 12034.3, 0.00308513/step Wall: 12034.3, 0.00308513/step, 0.983814 hours remaining, 234.644531 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: 3852000 4006.6962 20412.4618 14462.3728 258.2811 -203272.9461 2653.7284 0.0000 0.0000 51897.2215 -109582.1843 298.2540 -161479.4058 -109216.0412 298.8612 0.5417 32.0189 761249.7581 -0.4392 -0.3007 PRESSURE: 3852200 -332.941 189.405 -63.4084 189.406 -508.23 141.532 -63.4092 141.533 -202.275 GPRESSURE: 3852200 -353.872 127.603 26.1958 84.417 -444.509 70.1352 -116.013 136.157 -166.65 PRESSAVG: 3852200 -10.9956 12.3571 28.9643 12.3571 26.6009 2.8854 28.9642 2.8854 -32.2981 GPRESSAVG: 3852200 -11.3872 10.6988 28.6462 14.686 26.0626 4.82811 28.6999 0.156289 -31.856 TIMING: 3852200 CPU: 12034.9, 0.00310301/step Wall: 12034.9, 0.00310301/step, 0.989342 hours remaining, 234.644531 MB of memory in use. ENERGY: 3852200 4069.3240 20594.0420 14430.1570 254.8535 -203290.4791 2482.2895 0.0000 0.0000 51733.0179 -109726.7952 297.3104 -161459.8131 -109369.3418 298.3421 -347.8156 -321.6771 761778.3188 -5.5642 -5.7269 LDB: ============= START OF LOAD BALANCING ============== 12047.4 LDB: ============== END OF LOAD BALANCING =============== 12047.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12047.4 LDB: ============= START OF LOAD BALANCING ============== 12047.7 LDB: Largest compute 6998 load 0.028836 is 14.8% of average load 0.195235 LDB: Average compute 0.004388 is 2.2% of average load 0.195235 LDB: TIME 12047.7 LOAD: AVG 0.195235 MAX 0.214627 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.668 MB LDB: TIME 12047.7 LOAD: AVG 0.195235 MAX 0.214627 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.871 MB LDB: TIME 12047.7 LOAD: AVG 0.195235 MAX 0.214627 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.871 MB LDB: ============== END OF LOAD BALANCING =============== 12047.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12047.7 PRESSURE: 3852400 -79.998 -74.6835 -90.1336 -74.6828 408.428 163.159 -90.1338 163.159 261.962 GPRESSURE: 3852400 -49.567 -69.5335 -22.9064 -9.34782 496.828 155.069 -92.9787 129.967 232.777 PRESSAVG: 3852400 -4.9374 -26.2861 4.15842 -26.2862 69.9008 48.0466 4.15832 48.0466 12.8596 GPRESSAVG: 3852400 -5.49739 -25.2655 4.91207 -27.1828 70.5842 48.1505 6.02577 48.983 12.7992 TIMING: 3852400 CPU: 12035.6, 0.00319285/step Wall: 12035.6, 0.00319285/step, 1.01781 hours remaining, 233.480469 MB of memory in use. ENERGY: 3852400 3978.8061 20423.0902 14483.3937 263.6791 -203497.5049 2708.8401 0.0000 0.0000 51882.3263 -109757.3695 298.1684 -161639.6958 -109396.2564 298.3559 196.7973 226.6794 761291.0752 25.9410 25.9620 PRESSURE: 3852600 -106.959 -84.3213 -201.305 -84.3213 -371.379 13.6005 -201.306 13.6011 -47.9663 GPRESSURE: 3852600 -84.3472 -5.82867 -270.595 -69.154 -310.45 -7.77138 -96.9932 -42.7135 -51.059 PRESSAVG: 3852600 -19.7975 39.5353 39.7724 39.5352 44.3051 27.8515 39.7724 27.8515 -31.9707 GPRESSAVG: 3852600 -18.5609 42.5848 38.6991 38.9922 42.932 26.7287 39.9611 26.843 -32.3718 TIMING: 3852600 CPU: 12036.2, 0.00310028/step Wall: 12036.2, 0.00310028/step, 0.988129 hours remaining, 233.480469 MB of memory in use. ENERGY: 3852600 4035.2422 20473.7125 14449.8066 254.5588 -203365.2999 2517.3746 0.0000 0.0000 51984.4405 -109650.1647 298.7553 -161634.6052 -109298.6356 297.9809 -175.4349 -148.6188 761532.1887 -2.4877 -2.6669 PRESSURE: 3852800 295.407 43.7351 -20.5855 43.7354 -13.0381 -262.966 -20.5858 -262.966 -87.8986 GPRESSURE: 3852800 223.616 9.16608 -43.2348 122.459 39.9842 -267.472 20.0209 -227.886 10.9525 PRESSAVG: 3852800 -4.61953 32.9114 29.25 32.9114 8.72002 35.4861 29.2501 35.4861 10.5207 GPRESSAVG: 3852800 -6.58526 31.3725 30.0609 34.4407 9.52806 35.339 30.5766 37.704 11.5936 TIMING: 3852800 CPU: 12036.8, 0.0031261/step Wall: 12036.8, 0.0031261/step, 0.996185 hours remaining, 233.480469 MB of memory in use. ENERGY: 3852800 3920.0418 20409.9992 14384.3585 236.7840 -203511.7992 2964.8980 0.0000 0.0000 52004.8122 -109590.9056 298.8724 -161595.7178 -109221.7252 298.3933 64.8233 91.5176 762348.9000 4.8737 4.8455 PRESSURE: 3853000 -7.68306 112.353 87.4516 112.353 -134.884 161.233 87.4525 161.233 99.4527 GPRESSURE: 3853000 64.3135 83.9547 43.8055 114.621 -85.0221 75.4335 91.8413 120.347 71.7524 PRESSAVG: 3853000 -3.89412 -40.4571 53.1472 -40.4572 27.1465 25.3812 53.1473 25.3812 -23.294 GPRESSAVG: 3853000 -4.76684 -43.441 51.9576 -41.7971 28.8444 23.8922 51.257 24.0877 -23.6611 TIMING: 3853000 CPU: 12037.4, 0.0031186/step Wall: 12037.4, 0.0031186/step, 0.993619 hours remaining, 233.480469 MB of memory in use. ENERGY: 3853000 3958.6331 20514.8471 14430.8268 240.1735 -202920.9131 2332.1055 0.0000 0.0000 51848.0208 -109596.3063 297.9713 -161444.3271 -109245.7134 297.7958 -14.3713 17.0146 762408.3617 -0.0139 0.1388 PRESSURE: 3853200 -105.442 -3.51985 -267.612 -3.52004 319.691 48.7568 -267.611 48.757 43.55 GPRESSURE: 3853200 -100.297 46.0144 -258.084 65.3641 313.711 -8.66595 -203.914 -45.8951 133.866 PRESSAVG: 3853200 39.7921 -15.05 13.9989 -15.0501 10.5888 62.0116 13.9988 62.0115 4.53125 GPRESSAVG: 3853200 41.1678 -11.9471 13.9482 -16.8708 7.30405 63.5817 15.575 62.2762 6.2921 TIMING: 3853200 CPU: 12038, 0.00309044/step Wall: 12038, 0.00309044/step, 0.984476 hours remaining, 233.683594 MB of memory in use. ENERGY: 3853200 3922.0416 20517.5967 14357.5299 259.4840 -203316.8663 2900.4615 0.0000 0.0000 51754.5827 -109605.1700 297.4343 -161359.7526 -109253.0797 297.8977 85.9332 115.7598 762812.8845 18.3040 18.2547 PRESSURE: 3853400 77.5764 150.287 -45.032 150.287 43.0315 -209.101 -45.0327 -209.101 -274.508 GPRESSURE: 3853400 98.172 97.7349 90.3264 50.9273 -9.85294 -244.006 16.0763 -174.815 -179.713 PRESSAVG: 3853400 13.0977 -57.0176 -22.2335 -57.0176 -3.11835 30.2443 -22.2335 30.2443 9.12814 GPRESSAVG: 3853400 12.8263 -58.6158 -20.1216 -54.9382 -2.37252 29.183 -22.8004 30.8856 8.73457 TIMING: 3853400 CPU: 12038.7, 0.00309649/step Wall: 12038.7, 0.00309649/step, 0.986231 hours remaining, 233.683594 MB of memory in use. ENERGY: 3853400 4017.9582 20316.7589 14359.3477 243.1858 -203457.6549 2729.4641 0.0000 0.0000 51762.1292 -110028.8112 297.4777 -161790.9403 -109665.8938 297.5690 -51.2999 -30.4645 762106.4096 6.3692 6.3961 PRESSURE: 3853600 333.594 -16.7005 0.914564 -16.7003 529.875 168.833 0.915484 168.833 293.917 GPRESSURE: 3853600 422.325 16.6968 -12.0041 -25.0605 536.601 198.567 36.2538 204.512 280.954 PRESSAVG: 3853600 -9.4883 8.03324 40.3808 8.03314 0.846622 81.8303 40.3808 81.8303 6.63387 GPRESSAVG: 3853600 -9.40295 7.9242 39.0818 5.94264 2.02376 83.2016 37.5046 81.0994 4.73363 TIMING: 3853600 CPU: 12039.3, 0.00309108/step Wall: 12039.3, 0.00309108/step, 0.984338 hours remaining, 233.683594 MB of memory in use. ENERGY: 3853600 3958.4980 20459.3006 14435.3663 251.9993 -203946.7716 3085.3431 0.0000 0.0000 51735.6964 -110020.5680 297.3258 -161756.2644 -109654.2271 297.7848 385.7953 413.2937 761905.5946 -0.6693 -0.8819 PRESSURE: 3853800 -192.185 -51.9081 -145.321 -51.9084 -108.585 52.4726 -145.321 52.4732 -406.321 GPRESSURE: 3853800 -138.209 -52.755 -117.33 -76.5362 -154.875 126.333 -157.209 48.7811 -316.413 PRESSAVG: 3853800 -17.7561 -16.9181 -6.39845 -16.918 40.3872 21.6324 -6.39839 21.6324 10.3095 GPRESSAVG: 3853800 -18.5737 -17.9147 -6.65103 -14.6259 38.1631 21.7017 -3.64185 22.5968 12.4739 TIMING: 3853800 CPU: 12039.9, 0.0031089/step Wall: 12039.9, 0.0031089/step, 0.98984 hours remaining, 233.683594 MB of memory in use. ENERGY: 3853800 3945.2499 20424.9105 14413.7421 240.5819 -203475.6401 2693.7802 0.0000 0.0000 51867.1065 -109890.2690 298.0810 -161757.3754 -109533.6919 298.1868 -235.6971 -203.1659 761179.3395 10.9802 10.6878 PRESSURE: 3854000 96.1148 42.5027 -51.6117 42.5029 126.656 61.5292 -51.6113 61.5294 154.585 GPRESSURE: 3854000 189.17 113.758 -84.4867 -3.37425 16.7686 43.9343 -126.694 103.05 260.402 PRESSAVG: 3854000 -44.4775 -21.0063 -9.02464 -21.0062 40.6626 0.456303 -9.02463 0.456268 -15.209 GPRESSAVG: 3854000 -44.7818 -16.8775 -8.40227 -23.3671 41.0011 0.828871 -8.77567 -2.37553 -15.2667 TIMING: 3854000 CPU: 12040.5, 0.00312423/step Wall: 12040.5, 0.00312423/step, 0.994548 hours remaining, 233.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3854000 3993.6822 20531.4383 14408.4764 252.8851 -203874.0180 2734.3869 0.0000 0.0000 52071.9431 -109881.2060 299.2582 -161953.1492 -109515.6672 297.7369 125.7851 155.4468 760624.3167 -6.3413 -6.3491 PRESSURE: 3854200 55.013 137.89 26.0264 137.89 -297.995 191.974 26.0265 191.974 -96.1151 GPRESSURE: 3854200 45.0213 136.909 29.1613 12.9153 -212.971 279.837 221.099 150.382 -94.2406 PRESSAVG: 3854200 -17.4593 -2.86262 -5.12508 -2.86255 28.7862 -6.05043 -5.12513 -6.05043 -4.20435 GPRESSAVG: 3854200 -17.6947 -5.13904 -4.32239 -2.0596 29.3219 -7.41967 -4.55253 -4.88198 -4.28502 TIMING: 3854200 CPU: 12041.1, 0.00310098/step Wall: 12041.1, 0.00310098/step, 0.986973 hours remaining, 233.683594 MB of memory in use. ENERGY: 3854200 3940.1174 20376.9165 14459.3136 263.3228 -203426.8893 2544.0736 0.0000 0.0000 51651.0590 -110192.0864 296.8393 -161843.1453 -109821.2570 297.5778 -113.0322 -87.3968 762805.9769 2.3742 2.4474 PRESSURE: 3854400 -54.2571 121.303 239.739 121.303 177.574 9.01184 239.739 9.01263 -222.133 GPRESSURE: 3854400 -30.8913 52.4273 237.55 127.698 188.187 8.66002 165.036 33.9469 -192.898 PRESSAVG: 3854400 16.0108 12.5899 -18.1839 12.5899 21.3633 -40.759 -18.184 -40.759 -6.62636 GPRESSAVG: 3854400 18.5389 10.9808 -18.9839 12.8804 19.5015 -41.613 -19.4288 -40.2854 -6.63755 TIMING: 3854400 CPU: 12041.8, 0.00311559/step Wall: 12041.8, 0.00311559/step, 0.991449 hours remaining, 233.683594 MB of memory in use. ENERGY: 3854400 3919.1135 20540.0681 14420.8664 255.2963 -203441.4523 2614.6738 0.0000 0.0000 51538.1055 -110153.3286 296.1902 -161691.4341 -109799.1626 297.3864 -32.9387 -11.8675 761220.8838 10.2492 10.4676 PRESSURE: 3854600 188.784 30.3285 107.233 30.328 -0.186707 -68.7092 107.233 -68.7082 41.4746 GPRESSURE: 3854600 137.656 -11.475 75.1394 -56.2697 81.024 -66.0642 152.897 11.2399 89.7756 PRESSAVG: 3854600 -71.4006 -68.9947 -24.181 -68.9948 35.5266 8.99831 -24.1811 8.99826 -1.00053 GPRESSAVG: 3854600 -73.2211 -69.4537 -25.1527 -66.8163 38.2175 10.3098 -22.438 9.58913 -2.07931 TIMING: 3854600 CPU: 12042.4, 0.00309739/step Wall: 12042.4, 0.00309739/step, 0.985486 hours remaining, 233.683594 MB of memory in use. ENERGY: 3854600 3950.7673 20374.7557 14362.6467 244.9167 -202931.2105 2485.0332 0.0000 0.0000 51734.8962 -109778.1946 297.3212 -161513.0908 -109415.2886 297.6156 76.6906 102.8187 763186.9033 -12.2915 -12.3610 PRESSURE: 3854800 105.411 -183.385 -243.104 -183.386 66.3358 42.7236 -243.104 42.724 370.662 GPRESSURE: 3854800 190.118 -285.935 -212.437 -186.291 37.2514 35.9593 -86.1336 -39.3997 400.419 PRESSAVG: 3854800 12.2197 -66.4723 -41.5439 -66.4722 10.0164 -15.0044 -41.544 -15.0044 11.8169 GPRESSAVG: 3854800 12.8673 -64.0462 -40.8028 -68.5282 9.514 -14.3331 -40.7743 -16.3762 11.418 TIMING: 3854800 CPU: 12043, 0.00310849/step Wall: 12043, 0.00310849/step, 0.988845 hours remaining, 233.683594 MB of memory in use. ENERGY: 3854800 3931.3064 20456.9827 14408.3328 247.0942 -203326.9709 2637.1849 0.0000 0.0000 51997.2050 -109648.8649 298.8287 -161646.0699 -109289.5693 298.0330 180.8030 209.2628 761883.9579 11.3510 11.2664 PRESSURE: 3855000 2.92499 96.9711 -86.3785 96.9709 -281.546 155.848 -86.3786 155.848 158.948 GPRESSURE: 3855000 -44.0656 100.413 -109.337 80.084 -144.028 120.254 -43.6143 129.963 135.216 PRESSAVG: 3855000 54.2546 -45.6962 -31.981 -45.6962 -31.3079 19.9137 -31.981 19.9138 14.5148 GPRESSAVG: 3855000 53.8179 -47.9004 -31.5797 -44.3259 -31.0548 18.4766 -35.3348 20.7682 14.437 TIMING: 3855000 CPU: 12043.6, 0.00310758/step Wall: 12043.6, 0.00310758/step, 0.988384 hours remaining, 233.683594 MB of memory in use. ENERGY: 3855000 4027.5118 20670.9638 14507.5299 224.3204 -203390.0833 2678.4810 0.0000 0.0000 51607.3098 -109673.9666 296.5879 -161281.2764 -109315.0317 298.3044 -39.8908 -17.6260 762018.5262 12.4872 12.4001 PRESSURE: 3855200 9.10812 -85.6187 -7.12742 -85.619 -97.3516 131.09 -7.12719 131.091 -32.2161 GPRESSURE: 3855200 -9.1933 130.842 108.688 -113.996 36.0949 150.488 141.902 180.56 -59.5622 PRESSAVG: 3855200 -23.1874 -54.7998 -14.9931 -54.7999 -21.7769 -15.6399 -14.9932 -15.64 3.72588 GPRESSAVG: 3855200 -22.8405 -52.2447 -16.628 -57.2515 -22.2179 -16.287 -11.5655 -17.0687 4.29537 TIMING: 3855200 CPU: 12044.3, 0.0030956/step Wall: 12044.3, 0.0030956/step, 0.984402 hours remaining, 233.683594 MB of memory in use. ENERGY: 3855200 3964.2272 20374.7238 14464.7012 228.0868 -203171.7631 2504.7938 0.0000 0.0000 51895.7674 -109739.4629 298.2457 -161635.2303 -109387.4623 298.0705 -40.1532 -10.8869 762402.9541 -13.7461 -13.5877 PRESSURE: 3855400 -249.136 -2.96235 77.347 -2.96275 315.712 -317.264 77.3479 -317.264 67.9852 GPRESSURE: 3855400 -158.56 -67.974 59.5591 -77.4679 246.147 -389.769 -20.5726 -266.619 102.378 PRESSAVG: 3855400 -61.5071 -19.3997 49.9644 -19.3997 40.3873 -2.0828 49.9643 -2.08284 24.7041 GPRESSAVG: 3855400 -61.905 -20.5703 51.7838 -16.3601 40.2779 -1.78544 47.5454 -2.48666 25.7448 TIMING: 3855400 CPU: 12044.9, 0.00309024/step Wall: 12044.9, 0.00309024/step, 0.982526 hours remaining, 233.683594 MB of memory in use. ENERGY: 3855400 3885.5756 20487.1772 14509.2694 260.2693 -203508.8506 2830.9796 0.0000 0.0000 51852.7652 -109682.8143 297.9986 -161535.5795 -109330.9534 298.0437 44.8535 63.3218 761566.5777 1.1948 1.3726 PRESSURE: 3855600 117.826 120.851 49.3328 120.851 -279.085 1.53227 49.3322 1.53067 232.957 GPRESSURE: 3855600 131.582 14.9675 19.2953 141.212 -191.316 -20.2435 96.5863 -75.6153 215.7 PRESSAVG: 3855600 -33.5842 18.1178 8.29964 18.1178 16.5124 -32.4487 8.29963 -32.4486 19.5039 GPRESSAVG: 3855600 -32.9266 19.639 9.26256 16.8758 16.9926 -32.2022 7.77238 -30.3133 18.1281 TIMING: 3855600 CPU: 12045.5, 0.00308951/step Wall: 12045.5, 0.00308951/step, 0.982121 hours remaining, 233.683594 MB of memory in use. ENERGY: 3855600 3995.7554 20381.7228 14460.9700 244.7378 -203887.6041 3204.4585 0.0000 0.0000 51888.3156 -109711.6441 298.2029 -161599.9597 -109356.0489 298.3615 23.8994 51.9888 763351.7410 0.8107 0.7314 PRESSURE: 3855800 -121.793 -62.0245 -169.811 -62.0236 -357.849 245.363 -169.811 245.363 -14.9231 GPRESSURE: 3855800 -82.9707 -144.899 -171.621 -44.8634 -323.466 283.166 -95.7954 210.9 20.8586 PRESSAVG: 3855800 -31.488 5.72922 14.8398 5.72918 31.6905 19.0037 14.8397 19.0037 -28.9744 GPRESSAVG: 3855800 -32.8355 4.94521 12.6541 6.88545 31.8214 19.3515 15.84 18.2541 -27.7718 TIMING: 3855800 CPU: 12046.1, 0.00308799/step Wall: 12046.1, 0.00308799/step, 0.981466 hours remaining, 233.683594 MB of memory in use. ENERGY: 3855800 3968.4290 20138.1242 14452.4945 244.0574 -203073.1712 2450.1235 0.0000 0.0000 52112.5552 -109707.3874 299.4916 -161819.9426 -109335.0384 298.1612 -164.8550 -128.5259 764511.5915 -9.5906 -9.5953 PRESSURE: 3856000 50.0656 12.2195 -183.805 12.2191 63.7821 137.484 -183.805 137.483 24.9649 GPRESSURE: 3856000 119.795 62.1474 -77.751 98.7236 66.4203 74.1527 -209.07 212.738 21.898 PRESSAVG: 3856000 -24.3076 23.6276 -16.7847 23.6277 -1.49683 38.7411 -16.7847 38.7411 5.50625 GPRESSAVG: 3856000 -23.2636 21.6131 -14.6063 23.1722 -2.83367 37.4743 -16.3999 38.5847 5.32779 TIMING: 3856000 CPU: 12046.7, 0.00310449/step Wall: 12046.7, 0.00310449/step, 0.986538 hours remaining, 233.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3856000 3954.0749 20386.8230 14568.2745 262.1712 -203257.5400 2822.4810 0.0000 0.0000 51814.0822 -109449.6334 297.7762 -161263.7155 -109085.7879 298.5184 46.2708 69.3712 764043.4928 -6.7661 -6.9231 PRESSURE: 3856200 68.6475 14.6379 -83.7381 14.6384 -155.944 -251.403 -83.7378 -251.403 -404.277 GPRESSURE: 3856200 28.0788 100.173 -208.913 40.3484 -87.8987 -229.858 -71.3984 -395.167 -344.518 PRESSAVG: 3856200 -56.9479 -35.7648 -60.1727 -35.7647 45.4357 25.0872 -60.1727 25.0872 -8.31796 GPRESSAVG: 3856200 -56.6037 -34.4772 -61.9497 -35.3111 47.0251 26.6316 -59.8964 25.3795 -9.97352 TIMING: 3856200 CPU: 12047.3, 0.00310468/step Wall: 12047.3, 0.00310468/step, 0.986427 hours remaining, 233.683594 MB of memory in use. ENERGY: 3856200 4025.2966 20325.6684 14537.4477 274.7628 -203399.0223 2756.1301 0.0000 0.0000 52011.6038 -109468.1130 298.9114 -161479.7168 -109100.5738 298.5881 -163.8579 -134.7792 764547.2352 -6.6101 -6.5174 LDB: ============= START OF LOAD BALANCING ============== 12059.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12059.8 LDB: =============== DONE WITH MIGRATION ================ 12059.8 LDB: ============= START OF LOAD BALANCING ============== 12060.1 LDB: Largest compute 6998 load 0.028425 is 14.5% of average load 0.195389 LDB: Average compute 0.004369 is 2.2% of average load 0.195389 LDB: TIME 12060.1 LOAD: AVG 0.195389 MAX 0.213616 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.887 MB LDB: TIME 12060.1 LOAD: AVG 0.195389 MAX 0.213616 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.09 MB LDB: TIME 12060.1 LOAD: AVG 0.195389 MAX 0.213616 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.09 MB LDB: ============== END OF LOAD BALANCING =============== 12060.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12060.1 PRESSURE: 3856400 -27.3562 16.5287 11.8547 16.5296 3.56129 277.241 11.8551 277.241 17.4294 GPRESSURE: 3856400 25.6885 8.4164 72.5477 -57.8494 19.602 234.887 96.5917 113.726 53.2165 PRESSAVG: 3856400 -83.4736 -60.3259 13.2486 -60.3259 55.0401 31.6751 13.2486 31.6752 -14.1699 GPRESSAVG: 3856400 -84.1535 -60.2639 14.9714 -62.4015 55.2721 30.9976 8.86222 31.1967 -12.8909 TIMING: 3856400 CPU: 12048, 0.00317836/step Wall: 12048, 0.00317836/step, 1.00966 hours remaining, 234.761719 MB of memory in use. ENERGY: 3856400 3959.7270 20333.2441 14426.7563 243.6755 -203381.8440 2763.5724 0.0000 0.0000 52108.9713 -109545.8974 299.4710 -161654.8687 -109167.3499 297.9815 -2.1218 32.8357 762751.6565 -14.2011 -13.9241 PRESSURE: 3856600 31.8891 131.242 -12.8163 131.243 -187.099 -130.667 -12.8168 -130.667 -213.845 GPRESSURE: 3856600 126.617 262.432 -66.8644 64.3092 -129.763 -124.121 2.85326 -41.2435 -274.534 PRESSAVG: 3856600 -78.4855 -59.5038 40.1698 -59.5038 58.8728 32.4535 40.1697 32.4535 -8.8396 GPRESSAVG: 3856600 -77.275 -58.1505 37.8593 -58.8973 58.3834 32.5114 44.0678 33.3305 -9.54145 TIMING: 3856600 CPU: 12048.6, 0.00310697/step Wall: 12048.6, 0.00310697/step, 0.986807 hours remaining, 235.148438 MB of memory in use. ENERGY: 3856600 3952.9232 20567.7304 14478.1312 247.4941 -203320.6773 2718.4168 0.0000 0.0000 51650.8172 -109705.1644 296.8380 -161355.9816 -109351.7654 298.0578 -123.0183 -92.5599 763040.7503 -9.4841 -9.4777 PRESSURE: 3856800 -375.013 -37.4113 -23.2376 -37.412 60.5777 56.5696 -23.2379 56.5697 -339.476 GPRESSURE: 3856800 -258.336 -140.514 -91.0466 81.579 -51.9758 -6.13497 23.9281 54.5702 -282.823 PRESSAVG: 3856800 18.8584 26.1971 63.2679 26.1971 -33.3383 53.5112 63.2679 53.5112 12.3295 GPRESSAVG: 3856800 17.3081 24.9376 64.3315 26.5702 -33.1572 52.805 63.0963 53.6205 13.4875 TIMING: 3856800 CPU: 12049.2, 0.00309248/step Wall: 12049.2, 0.00309248/step, 0.982035 hours remaining, 235.148438 MB of memory in use. ENERGY: 3856800 3920.4779 20391.0624 14489.6131 251.1718 -203274.4652 2537.4298 0.0000 0.0000 51906.8366 -109777.8737 298.3093 -161684.7102 -109416.2689 297.9134 -217.9706 -197.7117 762428.1564 -0.7168 -0.7872 PRESSURE: 3857000 3.56938 160.693 37.0212 160.694 80.213 -119.762 37.0217 -119.762 -13.9607 GPRESSURE: 3857000 -39.4565 64.3513 -3.74313 188.314 177.774 -91.7899 -93.384 -100.462 -4.89748 PRESSAVG: 3857000 -19.7155 -19.6106 3.9845 -19.6106 -21.3426 66.1028 3.98453 66.1029 8.24793 GPRESSAVG: 3857000 -19.3121 -17.8027 3.14872 -20.055 -21.0408 65.6182 4.78359 65.7324 7.7689 TIMING: 3857000 CPU: 12049.8, 0.00310509/step Wall: 12049.8, 0.00310509/step, 0.985867 hours remaining, 235.148438 MB of memory in use. ENERGY: 3857000 3918.0910 20473.8285 14470.1369 246.8946 -203364.8403 2653.0303 0.0000 0.0000 52093.0991 -109509.7600 299.3798 -161602.8590 -109150.1240 297.8209 23.2739 44.4734 761223.3125 -10.9367 -10.8613 PRESSURE: 3857200 -378.412 6.55865 234.689 6.55987 29.5325 -110.105 234.689 -110.106 -41.9419 GPRESSURE: 3857200 -344.569 35.8805 221.39 -22.4759 20.3736 -150.08 201.075 -212.579 42.5985 PRESSAVG: 3857200 22.0072 -25.2778 38.0219 -25.2778 -46.6777 -38.2433 38.022 -38.2433 1.92303 GPRESSAVG: 3857200 21.7282 -27.6885 38.9212 -21.9722 -46.9626 -36.8136 36.0425 -37.4872 2.23907 TIMING: 3857200 CPU: 12050.5, 0.00310888/step Wall: 12050.5, 0.00310888/step, 0.986898 hours remaining, 235.148438 MB of memory in use. ENERGY: 3857200 4003.1696 20359.1825 14464.4279 251.7080 -202731.4654 2471.0372 0.0000 0.0000 51891.8497 -109290.0905 298.2232 -161181.9402 -108935.1523 298.8762 -130.2739 -93.8656 763193.3097 -7.5825 -7.6651 PRESSURE: 3857400 -71.0664 -9.55834 70.1289 -9.55903 -248.001 105.03 70.1282 105.029 15.5107 GPRESSURE: 3857400 27.0871 73.2603 -82.0488 -62.9983 -153.179 254.514 -4.63107 66.3494 -100.765 PRESSAVG: 3857400 -28.7124 7.09923 -4.95006 7.09915 12.8139 -46.8997 -4.95008 -46.8997 22.5412 GPRESSAVG: 3857400 -29.1634 9.46772 -5.71227 3.19898 12.9091 -45.4503 -2.81451 -50.4255 22.7473 TIMING: 3857400 CPU: 12051.1, 0.00309879/step Wall: 12051.1, 0.00309879/step, 0.983521 hours remaining, 235.148438 MB of memory in use. ENERGY: 3857400 3942.9379 20328.6938 14517.8541 261.2254 -203088.0293 2604.5781 0.0000 0.0000 52017.7744 -109414.9656 298.9469 -161432.7400 -109049.8946 298.2351 -101.1854 -75.6190 762753.9515 2.2142 2.1643 PRESSURE: 3857600 -678.121 -76.1924 39.0964 -76.1928 56.8611 -199.245 39.0961 -199.245 244.041 GPRESSURE: 3857600 -575.133 -52.2863 37.7898 -80.2202 45.2502 -294.983 33.6368 -139.915 226.168 PRESSAVG: 3857600 6.52421 -11.1917 -0.0707274 -11.1918 5.55496 26.5216 -0.0707329 26.5217 -31.2488 GPRESSAVG: 3857600 8.31337 -11.4268 -1.06699 -10.3349 4.31815 25.5831 -0.733315 27.031 -31.6731 TIMING: 3857600 CPU: 12051.7, 0.00308615/step Wall: 12051.7, 0.00308615/step, 0.979338 hours remaining, 235.160156 MB of memory in use. ENERGY: 3857600 4049.2062 20329.8142 14502.4721 284.1476 -203229.2698 2638.1383 0.0000 0.0000 52024.7485 -109400.7428 298.9869 -161425.4913 -109050.5365 298.6380 -125.7396 -101.2383 763074.9886 -6.3899 -6.3472 PRESSURE: 3857800 -69.0953 -47.5077 -159.88 -47.5082 -238.674 -66.9153 -159.881 -66.915 136.357 GPRESSURE: 3857800 -52.4059 -86.6886 -200.019 -21.839 -208.767 -84.3833 -61.9828 2.00348 177.719 PRESSAVG: 3857800 18.2385 -56.6728 -71.6477 -56.6728 13.6507 -56.318 -71.6477 -56.3179 10.4105 GPRESSAVG: 3857800 17.2147 -58.0413 -69.3725 -55.0183 15.0451 -57.1894 -71.4773 -53.5448 10.8264 TIMING: 3857800 CPU: 12052.3, 0.0030912/step Wall: 12052.3, 0.0030912/step, 0.98077 hours remaining, 235.160156 MB of memory in use. ENERGY: 3857800 3952.3991 20383.8505 14413.3545 269.3255 -203270.8567 2852.7909 0.0000 0.0000 51991.6949 -109407.4413 298.7970 -161399.1362 -109044.2969 298.3047 -57.1375 -27.8181 765362.0565 14.0999 14.3621 PRESSURE: 3858000 239.65 161.632 -31.1652 161.632 206.768 30.7969 -31.1664 30.7956 -650.103 GPRESSURE: 3858000 330.785 109.292 -3.85264 139.188 110.609 18.473 -64.1639 -49.9719 -587.033 PRESSAVG: 3858000 1.019 7.89166 -37.3987 7.89165 59.0177 13.5384 -37.3987 13.5383 -29.9429 GPRESSAVG: 3858000 2.69308 6.47716 -37.296 9.1534 57.8652 14.6624 -38.2338 11.5749 -29.8419 TIMING: 3858000 CPU: 12052.9, 0.00309594/step Wall: 12052.9, 0.00309594/step, 0.982101 hours remaining, 235.160156 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: 3858000 3890.9785 20463.8330 14473.3273 245.4245 -203314.3742 2599.4550 0.0000 0.0000 51996.6994 -109644.6565 298.8257 -161641.3559 -109295.7822 298.1996 -67.8950 -48.5464 762907.2663 10.0313 10.2388 PRESSURE: 3858200 557.541 107.674 -85.1013 107.674 331.407 51.8053 -85.1008 51.8059 152.804 GPRESSURE: 3858200 567.014 91.2055 -85.1439 39.0944 301.219 5.35458 -119.35 44.8118 240.357 PRESSAVG: 3858200 37.7553 -48.3589 0.183333 -48.3589 -55.3828 14.911 0.183313 14.9108 14.1096 GPRESSAVG: 3858200 36.3162 -47.2194 0.0974209 -50.7161 -53.3838 14.1264 -0.842431 16.3298 13.7777 TIMING: 3858200 CPU: 12053.6, 0.00309407/step Wall: 12053.6, 0.00309407/step, 0.981335 hours remaining, 235.160156 MB of memory in use. ENERGY: 3858200 3935.8882 20401.0476 14441.7122 254.1042 -203609.5818 3219.0948 0.0000 0.0000 51965.7387 -109391.9962 298.6478 -161357.7349 -109036.4125 297.8779 347.2505 369.5299 762208.6515 -1.1726 -1.0966 PRESSURE: 3858400 -524.664 -64.0951 -88.7725 -64.0946 -186.361 61.2492 -88.7723 61.2488 146.812 GPRESSURE: 3858400 -428.749 -89.5433 -26.921 -8.75531 -156.406 -65.4613 -80.9541 -86.6971 110.402 PRESSAVG: 3858400 31.1556 -0.43982 12.9186 -0.439816 5.2047 -1.19606 12.9187 -1.19607 11.5123 GPRESSAVG: 3858400 30.8932 -0.397249 12.7691 1.44732 5.01851 -1.03231 13.7437 -1.74505 11.8565 TIMING: 3858400 CPU: 12054.2, 0.00309912/step Wall: 12054.2, 0.00309912/step, 0.982764 hours remaining, 235.160156 MB of memory in use. ENERGY: 3858400 3935.9567 20393.6590 14497.8480 236.5299 -202931.8960 2604.5271 0.0000 0.0000 51889.8090 -109373.5663 298.2114 -161263.3752 -109018.1004 298.6019 -188.0711 -158.2510 764137.5944 15.9575 15.9227 PRESSURE: 3858600 11.6179 -103.398 275.384 -103.397 119.199 -136.702 275.383 -136.703 89.0593 GPRESSURE: 3858600 52.0671 -146.274 248.478 -44.4427 178.719 -55.2124 201.911 -55.417 69.1189 PRESSAVG: 3858600 8.07426 -40.0454 -5.23603 -40.0455 8.05154 6.15279 -5.23607 6.15289 19.5877 GPRESSAVG: 3858600 8.58504 -38.5508 -6.25286 -41.8066 7.65533 8.07832 -3.19748 4.05368 18.9685 TIMING: 3858600 CPU: 12054.8, 0.00310857/step Wall: 12054.8, 0.00310857/step, 0.98559 hours remaining, 235.160156 MB of memory in use. ENERGY: 3858600 3958.2979 20597.4216 14467.7778 256.7454 -203268.1398 2680.2748 0.0000 0.0000 51940.4061 -109367.2161 298.5022 -161307.6222 -109010.2324 298.3157 73.2920 99.9684 763030.7541 11.9045 11.7363 PRESSURE: 3858800 40.9559 -136.658 -108.349 -136.658 229.65 -64.1928 -108.348 -64.1912 -146.95 GPRESSURE: 3858800 109.594 -306.676 -106.036 -110.535 240.399 -56.9259 -122.406 -5.98142 -129.642 PRESSAVG: 3858800 -16.5479 -89.2284 -40.9523 -89.2285 -9.86117 45.224 -40.9522 45.2239 -0.0738878 GPRESSAVG: 3858800 -17.175 -90.8312 -38.778 -88.7107 -9.13495 44.5934 -41.1532 47.4202 -0.184686 TIMING: 3858800 CPU: 12055.4, 0.00309983/step Wall: 12055.4, 0.00309983/step, 0.982645 hours remaining, 235.160156 MB of memory in use. ENERGY: 3858800 4031.0652 20351.8114 14443.8428 258.1230 -203373.5766 2763.4308 0.0000 0.0000 52130.2969 -109395.0065 299.5935 -161525.3034 -109025.7906 298.1398 41.2185 73.4503 763181.4192 -8.8277 -8.8316 PRESSURE: 3859000 -462.669 -122.909 195.259 -122.909 -244.305 -44.4886 195.259 -44.4893 -72.1352 GPRESSURE: 3859000 -487.925 -86.6255 150.182 -88.8521 -127.902 -52.9705 92.2055 55.3434 -92.0907 PRESSAVG: 3859000 -10.7436 -14.9848 0.156366 -14.9848 17.7965 56.5534 0.156373 56.5534 1.18462 GPRESSAVG: 3859000 -10.5283 -15.8383 -1.98038 -14.6434 17.0438 55.8195 -0.133727 55.4052 1.13825 TIMING: 3859000 CPU: 12056, 0.00309306/step Wall: 12056, 0.00309306/step, 0.980328 hours remaining, 235.160156 MB of memory in use. ENERGY: 3859000 3933.5410 20492.4284 14477.9746 229.0514 -202960.6180 2543.9890 0.0000 0.0000 52005.3957 -109278.2379 298.8757 -161283.6337 -108917.3669 298.9123 -259.7030 -235.9725 763865.7578 2.7458 2.5513 PRESSURE: 3859200 -210.768 146.155 133.898 146.156 -239.226 239.173 133.899 239.173 -137.477 GPRESSURE: 3859200 -211.273 119.002 164.409 89.6893 -187.429 292.809 256.276 150.175 -81.5356 PRESSAVG: 3859200 -18.1908 -12.3515 18.8306 -12.3515 11.4566 -5.39241 18.8306 -5.39244 9.57738 GPRESSAVG: 3859200 -17.9986 -11.4835 18.6809 -11.7478 10.8282 -3.1839 16.9215 -7.07326 10.4415 TIMING: 3859200 CPU: 12056.7, 0.00309486/step Wall: 12056.7, 0.00309486/step, 0.980727 hours remaining, 235.160156 MB of memory in use. ENERGY: 3859200 4057.8355 20584.8017 14470.9744 248.1622 -203274.6043 2666.2601 0.0000 0.0000 52043.9860 -109202.5844 299.0975 -161246.5704 -108846.0404 299.5319 -195.8238 -160.0792 762227.3759 0.9477 1.0904 PRESSURE: 3859400 -22.7083 -8.29289 -269.896 -8.29302 258.323 36.5828 -269.896 36.584 300.869 GPRESSURE: 3859400 54.8552 6.63191 -239.55 -106.461 235.158 8.20041 -292.678 162.743 319.794 PRESSAVG: 3859400 -59.4219 -45.9035 -12.7825 -45.9035 34.6872 14.6455 -12.7825 14.6456 -0.0439004 GPRESSAVG: 3859400 -58.8343 -44.278 -10.4031 -46.9249 34.5882 12.6046 -14.0373 15.0737 -0.646568 TIMING: 3859400 CPU: 12057.3, 0.00309616/step Wall: 12057.3, 0.00309616/step, 0.980965 hours remaining, 235.160156 MB of memory in use. ENERGY: 3859400 3932.3390 20513.0796 14420.3843 252.0074 -203120.0136 2665.8890 0.0000 0.0000 52096.3583 -109239.9560 299.3985 -161336.3143 -108881.6128 299.2681 178.8279 203.2690 763802.5826 -8.2595 -8.2976 PRESSURE: 3859600 118.514 -293.478 126.874 -293.478 -2.59097 -210.867 126.873 -210.868 159.708 GPRESSURE: 3859600 139.179 -180.415 140.937 -273 70.3657 -160.826 51.1418 -171.216 142.591 PRESSAVG: 3859600 16.1957 -59.4502 34.356 -59.4502 56.3521 -11.6635 34.356 -11.6634 -7.61483 GPRESSAVG: 3859600 16.0451 -59.9961 33.1986 -59.547 56.243 -12.709 37.177 -8.19323 -7.2443 TIMING: 3859600 CPU: 12057.9, 0.00310087/step Wall: 12057.9, 0.00310087/step, 0.982288 hours remaining, 235.160156 MB of memory in use. ENERGY: 3859600 4038.0822 20555.3690 14418.9779 252.0267 -203207.6784 2739.3531 0.0000 0.0000 52147.4466 -109056.4228 299.6921 -161203.8694 -108699.2084 299.4296 91.8769 117.3786 762455.9978 21.6443 21.6813 PRESSURE: 3859800 209.808 47.2736 200.227 47.2735 -172.216 -109.086 200.227 -109.086 376.067 GPRESSURE: 3859800 97.9417 -128.674 159.359 58.7755 -79.1079 -60.8763 124.672 -178.128 465.376 PRESSAVG: 3859800 -32.5648 -79.492 65.8783 -79.492 43.6013 0.0762611 65.8783 0.0762877 -3.20333 GPRESSAVG: 3859800 -32.6277 -80.9059 65.464 -79.2008 44.1261 0.40755 66.262 -1.77138 -2.9876 TIMING: 3859800 CPU: 12058.5, 0.00309851/step Wall: 12058.5, 0.00309851/step, 0.981368 hours remaining, 235.160156 MB of memory in use. ENERGY: 3859800 4066.9354 20692.5629 14484.2463 238.7826 -203251.1362 2889.3989 0.0000 0.0000 51984.1003 -108895.1098 298.7533 -160879.2100 -108538.9662 299.9288 137.8865 161.4033 763057.8918 2.6110 2.8369 PRESSURE: 3860000 -317.297 -61.3883 -160.443 -61.3879 131.037 97.7428 -160.444 97.7426 479.711 GPRESSURE: 3860000 -228.676 -59.7997 -217.654 -59.4682 124.252 120.133 -86.2426 0.43702 478.417 PRESSAVG: 3860000 -48.2627 -61.346 15.8518 -61.3459 23.8073 -30.3988 15.8517 -30.399 -9.79449 GPRESSAVG: 3860000 -48.1832 -61.934 14.8573 -58.9237 24.3946 -30.1392 15.6066 -31.0802 -10.4874 TIMING: 3860000 CPU: 12059.1, 0.00308199/step Wall: 12059.1, 0.00308199/step, 0.975963 hours remaining, 235.160156 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: 3860000 3947.6607 20492.9948 14596.6135 246.4329 -203545.4584 2976.7958 0.0000 0.0000 52232.0202 -109052.9405 300.1781 -161284.9607 -108684.6299 299.9879 97.8173 124.6644 761887.7325 -11.4166 -11.4253 PRESSURE: 3860200 -107.469 -156.474 180.287 -156.475 300.907 -275.478 180.287 -275.478 -109.684 GPRESSURE: 3860200 -18.8815 -48.5325 319.745 -139.168 293.295 -284.214 161.927 -119.996 -96.6889 PRESSAVG: 3860200 0.585053 -40.4413 6.4603 -40.4412 39.1561 14.1304 6.4603 14.1304 3.93407 GPRESSAVG: 3860200 2.10822 -40.14 7.40287 -42.7329 37.5529 14.1414 4.37256 12.7682 4.4804 TIMING: 3860200 CPU: 12059.7, 0.00307802/step Wall: 12059.7, 0.00307802/step, 0.974536 hours remaining, 235.160156 MB of memory in use. ENERGY: 3860200 4052.3918 20660.9374 14552.3992 230.4464 -203373.4938 2793.8852 0.0000 0.0000 52098.8892 -108984.5447 299.4130 -161083.4338 -108619.7668 300.0840 27.9180 59.2417 761899.8866 14.5584 14.7138 LDB: ============= START OF LOAD BALANCING ============== 12072.2 LDB: ============== END OF LOAD BALANCING =============== 12072.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12072.2 LDB: ============= START OF LOAD BALANCING ============== 12072.5 LDB: Largest compute 7064 load 0.028674 is 14.7% of average load 0.195169 LDB: Average compute 0.004387 is 2.2% of average load 0.195169 LDB: TIME 12072.5 LOAD: AVG 0.195169 MAX 0.21476 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.762 MB LDB: TIME 12072.5 LOAD: AVG 0.195169 MAX 0.21476 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.801 MB LDB: TIME 12072.5 LOAD: AVG 0.195169 MAX 0.21476 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.801 MB LDB: ============== END OF LOAD BALANCING =============== 12072.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12072.5 PRESSURE: 3860400 -99.3936 -98.1609 -19.1974 -98.1613 -159.124 144.934 -19.1972 144.935 -321.813 GPRESSURE: 3860400 -53.5859 15.2414 -120.932 -49.3585 -57.642 217.189 -181.966 148.038 -369.04 PRESSAVG: 3860400 -32.6699 -27.4225 -21.3321 -27.4225 18.7382 77.0402 -21.3321 77.0403 6.54001 GPRESSAVG: 3860400 -33.1864 -24.7896 -22.5105 -27.5542 20.9676 77.4687 -19.6439 78.2094 4.78769 TIMING: 3860400 CPU: 12060.4, 0.00316256/step Wall: 12060.4, 0.00316256/step, 1.00112 hours remaining, 235.023438 MB of memory in use. ENERGY: 3860400 3992.2736 20586.7701 14489.9048 243.1247 -203148.6881 2707.8154 0.0000 0.0000 52320.9154 -108807.8841 300.6890 -161128.7995 -108427.1716 300.2072 -193.4436 -160.0894 764787.1167 -2.4639 -2.4770 PRESSURE: 3860600 173.699 158.775 -79.2391 158.775 473.053 310.172 -79.239 310.172 287.139 GPRESSURE: 3860600 197.167 108.82 -94.2229 137.829 498.23 266.392 -24.5958 250.439 308.599 PRESSAVG: 3860600 -23.6965 34.6155 17.8529 34.6155 -5.42208 36.8418 17.853 36.8418 5.79397 GPRESSAVG: 3860600 -24.9914 33.3679 19.4764 34.5416 -6.36455 35.2688 17.3439 37.7106 7.37079 TIMING: 3860600 CPU: 12061, 0.00310338/step Wall: 12061, 0.00310338/step, 0.982221 hours remaining, 235.292969 MB of memory in use. ENERGY: 3860600 4018.2592 20505.8038 14429.3157 257.6799 -203047.8093 2638.4675 0.0000 0.0000 52489.5154 -108708.7678 301.6580 -161198.2832 -108349.6678 300.0488 311.2973 334.6652 763158.0982 -7.7749 -7.9950 PRESSURE: 3860800 475.152 -61.919 -51.1662 -61.9191 300.112 -33.5855 -51.1651 -33.586 191.97 GPRESSURE: 3860800 415.571 -173.014 -86.1969 5.22633 372.96 -86.6004 -45.1601 -61.0422 271.008 PRESSAVG: 3860800 -7.72423 53.4421 45.2627 53.4421 15.4979 2.91468 45.2626 2.9148 -2.76226 GPRESSAVG: 3860800 -7.65561 53.1487 45.6302 53.943 14.612 4.09404 42.8985 0.40198 -2.00328 TIMING: 3860800 CPU: 12061.6, 0.00310139/step Wall: 12061.6, 0.00310139/step, 0.981417 hours remaining, 235.292969 MB of memory in use. ENERGY: 3860800 3987.3463 20456.1700 14500.6319 238.0947 -203119.0124 2863.3737 0.0000 0.0000 52202.5770 -108870.8189 300.0089 -161073.3959 -108515.0290 300.0558 322.4114 353.1796 762676.7036 1.6705 1.6510 PRESSURE: 3861000 -31.8279 -288.038 121.967 -288.038 -119.714 -48.937 121.966 -48.9364 215.788 GPRESSURE: 3861000 50.3157 -210.689 132.464 -205.205 -86.4706 12.83 144.616 -42.5642 194.17 PRESSAVG: 3861000 5.56557 8.21638 -1.78804 8.21639 -24.9174 -10.6771 -1.78802 -10.6771 -17.6046 GPRESSAVG: 3861000 5.60907 7.33729 -1.92471 10.272 -24.8128 -10.6865 3.45193 -8.39329 -17.8807 TIMING: 3861000 CPU: 12062.2, 0.00309992/step Wall: 12062.2, 0.00309992/step, 0.980781 hours remaining, 235.292969 MB of memory in use. ENERGY: 3861000 4004.5611 20556.0098 14465.0607 231.4250 -203254.9247 2780.0631 0.0000 0.0000 52227.0593 -108990.7458 300.1496 -161217.8051 -108633.0106 299.4917 21.4155 52.6716 763379.1316 -12.3188 -12.3615 PRESSURE: 3861200 -288.986 -47.2639 43.669 -47.2646 -498.119 -68.2185 43.6688 -68.2189 76.2229 GPRESSURE: 3861200 -242.399 -59.1205 18.4809 4.09528 -498.583 -16.6541 129.355 -183.286 97.6835 PRESSAVG: 3861200 19.9094 -25.7805 2.44688 -25.7806 39.6941 -20.8576 2.44688 -20.8576 22.8056 GPRESSAVG: 3861200 19.6224 -27.8825 0.614626 -25.5453 40.2611 -21.3149 1.81817 -22.1537 22.211 TIMING: 3861200 CPU: 12062.9, 0.00310027/step Wall: 12062.9, 0.00310027/step, 0.980718 hours remaining, 235.292969 MB of memory in use. ENERGY: 3861200 4005.5210 20635.2463 14428.9732 247.7386 -203128.6551 2740.9959 0.0000 0.0000 52102.5598 -108967.6203 299.4341 -161070.1801 -108603.4354 299.8119 -236.9607 -214.4328 764099.6525 27.4697 27.3648 PRESSURE: 3861400 -567.086 -38.0912 -4.04873 -38.092 -24.5079 -45.9964 -4.04887 -45.9962 92.3679 GPRESSURE: 3861400 -392.517 -43.1143 45.5408 -12.9112 -59.8564 -42.9414 -16.4385 -4.80316 43.6595 PRESSAVG: 3861400 -36.5916 -8.13425 -49.2688 -8.13421 48.7858 -1.94064 -49.2688 -1.94064 7.0913 GPRESSAVG: 3861400 -34.7593 -5.04083 -47.7091 -9.23679 47.7068 -0.837604 -51.6398 -2.12739 6.35778 TIMING: 3861400 CPU: 12063.5, 0.00310058/step Wall: 12063.5, 0.00310058/step, 0.980644 hours remaining, 235.292969 MB of memory in use. ENERGY: 3861400 3913.8720 20564.9135 14479.8694 258.9139 -203262.7544 2769.0278 0.0000 0.0000 52143.3774 -109132.7804 299.6687 -161276.1578 -108769.0554 300.0165 -166.4086 -136.2380 763773.2495 6.4285 6.4351 PRESSURE: 3861600 -159.255 65.3254 182.231 65.3252 -165.751 34.8217 182.231 34.8216 12.0668 GPRESSURE: 3861600 -214.844 46.2051 170.82 62.6025 -126.279 19.3359 248.264 8.06916 95.2892 PRESSAVG: 3861600 -0.569917 1.83583 -5.94506 1.83588 -49.4329 12.2402 -5.94506 12.2402 -5.26586 GPRESSAVG: 3861600 -2.94893 0.50654 -5.93483 1.03082 -49.0404 10.8613 -5.02131 12.4993 -3.86712 TIMING: 3861600 CPU: 12064.1, 0.00310214/step Wall: 12064.1, 0.00310214/step, 0.980967 hours remaining, 235.292969 MB of memory in use. ENERGY: 3861600 4000.4595 20775.9702 14492.8514 225.9515 -203263.4671 2709.2353 0.0000 0.0000 51913.4149 -109145.5844 298.3471 -161058.9994 -108788.6118 299.5106 -104.3132 -81.9445 764219.5851 -18.4229 -18.6188 PRESSURE: 3861800 133.822 -8.22358 -96.1906 -8.22376 402.878 -101.3 -96.19 -101.301 -194.254 GPRESSURE: 3861800 172.269 -15.3223 -94.3379 8.10059 434.436 -136.543 -11.491 -9.59606 -168.008 PRESSAVG: 3861800 42.8654 -12.9942 -42.3455 -12.9941 -6.54488 -3.22524 -42.3456 -3.22519 -0.219887 GPRESSAVG: 3861800 43.9735 -13.7713 -42.9646 -12.7823 -6.48746 -1.99267 -41.2254 -2.50938 -1.27034 TIMING: 3861800 CPU: 12064.7, 0.00310225/step Wall: 12064.7, 0.00310225/step, 0.980827 hours remaining, 235.292969 MB of memory in use. ENERGY: 3861800 3971.6329 20717.7376 14524.1860 259.2303 -203560.1594 2911.3578 0.0000 0.0000 52000.5382 -109175.4766 298.8478 -161176.0148 -108819.3673 299.4085 114.1489 146.2324 761997.4491 12.0335 12.0719 PRESSURE: 3862000 31.586 -54.1305 233.781 -54.1307 -51.9711 168.085 233.781 168.085 -38.4991 GPRESSURE: 3862000 -11.677 -96.6266 252.754 81.8542 3.5857 73.8913 113.986 174.452 15.391 PRESSAVG: 3862000 19.6652 67.0773 20.0952 67.0773 -13.7659 43.7383 20.0952 43.7382 4.03957 GPRESSAVG: 3862000 18.6778 66.5077 20.4875 66.1894 -12.7345 43.1342 20.1498 42.6432 3.70808 TIMING: 3862000 CPU: 12065.3, 0.00310553/step Wall: 12065.3, 0.00310553/step, 0.981694 hours remaining, 235.292969 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: 3862000 3938.4562 20493.6663 14505.0673 253.2766 -203152.3328 2695.7846 0.0000 0.0000 52119.4210 -109146.6607 299.5310 -161266.0817 -108783.9065 299.2869 -19.6281 2.4333 763232.3091 3.3129 3.2171 PRESSURE: 3862200 -53.3681 64.5493 -222.047 64.5495 -287.012 -150.264 -222.047 -150.264 323.808 GPRESSURE: 3862200 -41.0221 148.997 -267.914 145.442 -244.891 -104.331 -100.002 -40.5821 344.126 PRESSAVG: 3862200 31.7645 -10.1961 -38.5904 -10.1961 1.35958 5.00553 -38.5904 5.00552 9.06561 GPRESSAVG: 3862200 33.0526 -8.68361 -37.2927 -9.78099 -0.526917 3.3784 -38.3409 5.99422 8.91715 TIMING: 3862200 CPU: 12066, 0.00311417/step Wall: 12066, 0.00311417/step, 0.984249 hours remaining, 235.292969 MB of memory in use. ENERGY: 3862200 4043.5723 20607.1800 14516.3562 250.9334 -202986.6037 2533.0306 0.0000 0.0000 51825.7068 -109209.8242 297.8430 -161035.5311 -108852.8002 299.1560 -5.5240 19.4042 764199.1996 14.0632 13.8143 PRESSURE: 3862400 6.10175 19.2528 -48.2028 19.2522 212.181 127.573 -48.2027 127.574 105.999 GPRESSURE: 3862400 114.155 -26.3786 -130.092 88.5416 174.342 260.386 -110.519 26.1373 88.0207 PRESSAVG: 3862400 8.41222 -33.279 -36.8635 -33.279 14.3399 -4.76755 -36.8635 -4.76753 6.28073 GPRESSAVG: 3862400 7.33022 -33.1794 -39.3412 -31.6811 15.2874 -2.30462 -38.1957 -5.6112 6.28638 TIMING: 3862400 CPU: 12066.6, 0.00311804/step Wall: 12066.6, 0.00311804/step, 0.985299 hours remaining, 235.292969 MB of memory in use. ENERGY: 3862400 3972.6562 20514.9364 14466.0710 255.0641 -203411.0657 3046.6733 0.0000 0.0000 52019.3326 -109136.3321 298.9558 -161155.6647 -108774.9760 299.3436 108.0938 125.5059 761811.0772 9.6776 9.6347 PRESSURE: 3862600 425.427 28.1072 -52.8264 28.107 -245.931 192.984 -52.8263 192.984 146.699 GPRESSURE: 3862600 460.055 19.7638 -18.1524 146.834 -208.177 183.856 -36.7935 121.034 142.806 PRESSAVG: 3862600 7.18047 -33.2164 -19.1649 -33.2164 10.6019 -5.96167 -19.165 -5.9616 18.0049 GPRESSAVG: 3862600 6.55077 -31.0554 -17.2383 -34.9789 9.5302 -7.23144 -19.8247 -7.26524 18.537 TIMING: 3862600 CPU: 12067.2, 0.00311226/step Wall: 12067.2, 0.00311226/step, 0.9833 hours remaining, 235.292969 MB of memory in use. ENERGY: 3862600 3941.8921 20487.0362 14470.9187 250.2115 -203519.2742 2996.8065 0.0000 0.0000 52196.1888 -109176.2204 299.9722 -161372.4093 -108820.2072 299.2153 108.7315 131.5613 762098.8065 11.9291 11.5393 PRESSURE: 3862800 -19.2765 205.434 -122.67 205.434 53.8414 -93.0203 -122.671 -93.0203 324.803 GPRESSURE: 3862800 61.6336 225.376 -191.605 284.004 85.7955 -44.8711 0.0744444 -100.262 297.533 PRESSAVG: 3862800 -10.3902 46.5066 -7.06468 46.5066 -31.981 -17.5637 -7.06462 -17.5636 27.457 GPRESSAVG: 3862800 -9.7959 43.6545 -6.71843 49.4198 -30.9328 -17.8649 -6.63038 -14.5153 26.8056 TIMING: 3862800 CPU: 12067.8, 0.0031002/step Wall: 12067.8, 0.0031002/step, 0.979319 hours remaining, 235.292969 MB of memory in use. ENERGY: 3862800 4002.1762 20635.7907 14497.2957 245.4428 -203437.3668 2870.3356 0.0000 0.0000 52028.5539 -109157.7719 299.0088 -161186.3258 -108798.1063 299.1042 119.7893 148.3207 761345.5571 -4.9714 -4.6410 PRESSURE: 3863000 248.702 273.812 -38.2558 273.812 -210.631 212.52 -38.2567 212.52 335.234 GPRESSURE: 3863000 265.869 147.971 -88.4533 334.86 -102.008 148.919 24.0866 207.046 293.524 PRESSAVG: 3863000 17.2675 21.813 -28.745 21.813 55.9185 2.76658 -28.745 2.76651 14.0849 GPRESSAVG: 3863000 16.8623 21.6547 -29.3178 19.0688 55.0929 4.20618 -28.1959 2.15532 14.3209 TIMING: 3863000 CPU: 12068.5, 0.00311186/step Wall: 12068.5, 0.00311186/step, 0.98283 hours remaining, 235.292969 MB of memory in use. ENERGY: 3863000 4072.8942 20515.4225 14440.4684 253.2567 -203505.9824 2921.0361 0.0000 0.0000 52150.5630 -109152.3414 299.7100 -161302.9043 -108786.5031 299.3363 124.4348 152.4615 763055.9528 29.0903 28.7587 PRESSURE: 3863200 230.133 -123.633 -136.417 -123.633 356.544 -175.716 -136.417 -175.716 -41.1015 GPRESSURE: 3863200 265.033 -91.0278 -128.425 -250.768 362.046 -163.05 -57.3346 -159.337 -13.0414 PRESSAVG: 3863200 -10.751 29.6338 -8.59278 29.6338 -34.5975 -14.3341 -8.5928 -14.3341 -18.9406 GPRESSAVG: 3863200 -11.2894 30.2263 -9.47731 29.2793 -33.3221 -13.6658 -7.35709 -16.1561 -19.6206 TIMING: 3863200 CPU: 12069.1, 0.00311965/step Wall: 12069.1, 0.00311965/step, 0.985118 hours remaining, 235.292969 MB of memory in use. ENERGY: 3863200 4002.3199 20596.0532 14453.8739 243.1918 -203420.6178 2952.8334 0.0000 0.0000 52122.3036 -109050.0421 299.5476 -161172.3457 -108673.2248 299.0511 181.8587 204.6791 762955.3872 -21.4297 -21.4107 PRESSURE: 3863400 -218.571 89.9766 -79.4166 89.977 -292.504 144.99 -79.4167 144.99 -360.709 GPRESSURE: 3863400 -196.5 77.8335 -31.442 197.892 -245.781 177.976 -74.6758 158.949 -355.731 PRESSAVG: 3863400 -1.44744 -10.2728 -22.7015 -10.2727 23.1971 -62.354 -22.7014 -62.3541 16.6254 GPRESSAVG: 3863400 -0.7436 -10.4211 -20.9298 -10.1931 21.8148 -64.6398 -25.053 -61.1507 16.9259 TIMING: 3863400 CPU: 12069.7, 0.00312584/step Wall: 12069.7, 0.00312584/step, 0.986897 hours remaining, 235.292969 MB of memory in use. ENERGY: 3863400 4004.6907 20588.1139 14479.5089 226.8037 -202793.3798 2355.8634 0.0000 0.0000 52003.4400 -109134.9592 298.8645 -161138.3992 -108763.1878 299.5992 -290.5947 -266.0042 763853.9163 12.7917 12.6657 PRESSURE: 3863600 -164.023 -51.9057 -72.81 -51.9061 43.2303 93.8355 -72.8095 93.834 48.3568 GPRESSURE: 3863600 -82.7073 -13.1673 -112.33 -193.083 79.1012 24.6687 -102.006 73.702 14.7309 PRESSAVG: 3863600 82.5418 -39.0877 45.9668 -39.0877 -40.5097 44.1885 45.9669 44.1884 -3.85684 GPRESSAVG: 3863600 82.1441 -37.3595 43.3068 -39.3208 -41.2727 44.6178 47.2879 43.6271 -3.08798 TIMING: 3863600 CPU: 12070.3, 0.00310882/step Wall: 12070.3, 0.00310882/step, 0.981351 hours remaining, 235.292969 MB of memory in use. ENERGY: 3863600 3955.2711 20639.9331 14383.8465 248.2563 -203151.6718 2640.9468 0.0000 0.0000 51943.1335 -109340.2845 298.5179 -161283.4180 -108974.4407 299.1838 -24.1454 3.7083 761800.6882 12.7251 12.5945 PRESSURE: 3863800 356.565 -59.1038 165.084 -59.1034 263.547 -151.58 165.084 -151.581 45.9356 GPRESSURE: 3863800 384.896 -135.442 25.404 -68.236 353.495 -90.2289 147.176 -150.866 30.0032 PRESSAVG: 3863800 49.1657 -11.1504 -25.9394 -11.1504 -92.9947 40.8685 -25.9393 40.8686 3.7509 GPRESSAVG: 3863800 49.0237 -12.7088 -24.6722 -10.3639 -91.997 40.4025 -26.505 42.8784 2.71979 TIMING: 3863800 CPU: 12071, 0.00311651/step Wall: 12071, 0.00311651/step, 0.983606 hours remaining, 235.292969 MB of memory in use. ENERGY: 3863800 3994.2116 20542.0197 14426.3419 256.1887 -203487.2502 2905.2956 0.0000 0.0000 51887.9530 -109475.2397 298.2008 -161363.1927 -109110.8470 298.7624 222.0156 256.1314 762338.2668 -13.3594 -13.4178 PRESSURE: 3864000 -268.916 -51.6165 238.282 -51.6166 -7.18765 64.4851 238.281 64.4856 -267.191 GPRESSURE: 3864000 -209.928 -9.09195 225.243 -75.4959 -14.1189 221.853 226.137 -34.763 -225.692 PRESSAVG: 3864000 47.8981 3.67869 26.8326 3.67865 25.1778 -15.5664 26.8327 -15.5664 -34.8614 GPRESSAVG: 3864000 48.4078 5.15872 26.3431 1.71488 23.8484 -13.444 26.9193 -16.8069 -34.677 TIMING: 3864000 CPU: 12071.6, 0.00311367/step Wall: 12071.6, 0.00311367/step, 0.982536 hours remaining, 235.292969 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: 3864000 4033.4975 20579.5593 14464.8439 256.7342 -203029.0204 2336.1737 0.0000 0.0000 52042.6993 -109315.5125 299.0901 -161358.2118 -108958.2696 299.5099 -181.0983 -149.9130 760601.3594 12.7382 12.5264 PRESSURE: 3864200 -79.9198 40.3101 104.543 40.31 -204.645 196.964 104.543 196.965 -519.422 GPRESSURE: 3864200 -47.1069 49.4788 31.9539 21.2702 -152.397 231.437 128.708 190.962 -531.38 PRESSAVG: 3864200 -1.26383 -24.9853 15.208 -24.9854 55.9377 27.9584 15.208 27.9584 2.30986 GPRESSAVG: 3864200 -2.27589 -26.0606 15.0064 -25.2114 57.113 27.4972 13.9606 27.4973 2.26182 TIMING: 3864200 CPU: 12072.2, 0.00308311/step Wall: 12072.2, 0.00308311/step, 0.972721 hours remaining, 235.292969 MB of memory in use. ENERGY: 3864200 3996.0374 20531.5395 14501.8010 235.9910 -203809.0836 2879.2443 0.0000 0.0000 52146.1640 -109518.3064 299.6847 -161664.4704 -109152.4358 299.1926 -267.9955 -243.6279 761276.1761 18.9946 19.0330 LDB: ============= START OF LOAD BALANCING ============== 12084.7 LDB: ============== END OF LOAD BALANCING =============== 12084.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12084.7 LDB: ============= START OF LOAD BALANCING ============== 12085 LDB: Largest compute 7077 load 0.030522 is 15.6% of average load 0.195353 LDB: Average compute 0.004365 is 2.2% of average load 0.195353 LDB: TIME 12085 LOAD: AVG 0.195353 MAX 0.215974 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.195 MB LDB: TIME 12085 LOAD: AVG 0.195353 MAX 0.215974 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.195 MB LDB: TIME 12085 LOAD: AVG 0.195353 MAX 0.215974 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.195 MB LDB: ============== END OF LOAD BALANCING =============== 12085 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12085 PRESSURE: 3864400 -288.787 124.511 205.439 124.511 -215.465 -51.9732 205.439 -51.9733 -308.653 GPRESSURE: 3864400 -277.053 84.4092 252.002 200.612 -185.046 -33.8001 120.131 1.47215 -266.032 PRESSAVG: 3864400 -0.26774 -54.625 13.5637 -54.625 -27.686 55.6544 13.5638 55.6545 10.9523 GPRESSAVG: 3864400 0.855882 -55.1314 15.0614 -55.356 -27.4169 54.8769 13.8133 55.0306 10.1343 TIMING: 3864400 CPU: 12072.8, 0.00316628/step Wall: 12072.8, 0.00316628/step, 0.998787 hours remaining, 233.945312 MB of memory in use. ENERGY: 3864400 4007.9949 20542.1194 14496.4886 228.1927 -203224.8361 2483.5647 0.0000 0.0000 51883.2540 -109583.2217 298.1738 -161466.4757 -109220.4694 298.9792 -270.9684 -242.7104 761821.8855 -5.6672 -5.4756 PRESSURE: 3864600 282.338 -85.0676 -1.8872 -85.0672 -295.929 164.467 -1.88659 164.467 -80.534 GPRESSURE: 3864600 320.484 51.4371 46.8986 -60.1827 -240.654 144.521 74.407 185.366 -97.345 PRESSAVG: 3864600 56.498 -9.60812 7.27594 -9.60807 -9.72226 14.4668 7.27597 14.4669 -12.7618 GPRESSAVG: 3864600 55.9816 -6.65216 5.44136 -7.74618 -9.96229 14.68 7.79857 16.9128 -12.1369 TIMING: 3864600 CPU: 12073.4, 0.00309415/step Wall: 12073.4, 0.00309415/step, 0.975862 hours remaining, 234.003906 MB of memory in use. ENERGY: 3864600 3998.6503 20637.6282 14499.5542 265.0426 -204029.6492 3146.9996 0.0000 0.0000 52154.5863 -109327.1880 299.7331 -161481.7743 -108965.2003 299.4029 -31.3750 -5.8383 760494.2783 11.3380 11.2941 PRESSURE: 3864800 -189.827 110.756 -12.1869 110.757 -226.506 -81.407 -12.1874 -81.4067 115.675 GPRESSURE: 3864800 -144.026 158.984 -28.7013 69.9615 -194.833 -12.2313 68.7412 -260.189 107.493 PRESSAVG: 3864800 -2.33484 20.3836 -0.435501 20.3836 3.45145 -29.745 -0.435496 -29.745 21.0528 GPRESSAVG: 3864800 -3.54513 18.9361 -0.445386 18.2105 4.58606 -29.3713 0.500612 -32.381 21.3935 TIMING: 3864800 CPU: 12074.1, 0.00310518/step Wall: 12074.1, 0.00310518/step, 0.979168 hours remaining, 234.070312 MB of memory in use. ENERGY: 3864800 3978.8672 20713.4681 14468.5965 253.2754 -203166.8339 2357.0847 0.0000 0.0000 52079.2330 -109316.3090 299.3001 -161395.5420 -108962.1834 299.5809 -100.2191 -77.1222 762906.6959 7.3898 7.4782 PRESSURE: 3865000 16.4229 -19.2042 -62.3881 -19.2041 -321.565 55.1402 -62.3881 55.1401 -79.652 GPRESSURE: 3865000 -45.2753 -59.8337 -148.92 -78.1039 -164.985 124.162 -80.2537 104.571 -105.009 PRESSAVG: 3865000 34.1905 -27.682 19.5991 -27.682 -64.6458 -34.1132 19.599 -34.1133 6.84246 GPRESSAVG: 3865000 34.9783 -28.3733 19.0713 -26.1258 -65.7279 -35.1948 19.5628 -33.3952 7.23875 TIMING: 3865000 CPU: 12074.7, 0.00309465/step Wall: 12074.7, 0.00309465/step, 0.975674 hours remaining, 234.070312 MB of memory in use. ENERGY: 3865000 3975.9668 20508.8373 14476.4142 250.2811 -203220.9852 2663.8827 0.0000 0.0000 52068.5984 -109277.0047 299.2390 -161345.6031 -108910.9360 299.4303 -128.2646 -105.0896 762125.8417 -7.8709 -7.8370 PRESSURE: 3865200 325.954 -111.419 -143.61 -111.42 -264.914 126.424 -143.61 126.425 32.0575 GPRESSURE: 3865200 314.579 71.2978 -39.5734 -59.4623 -153.296 127.485 -126.974 56.4204 15.7271 PRESSAVG: 3865200 0.549362 -33.2557 -88.6058 -33.2558 -66.2199 41.576 -88.6058 41.5761 1.78483 GPRESSAVG: 3865200 -0.199233 -31.7704 -87.4288 -33.4281 -66.2636 40.4923 -89.5505 42.6338 2.11723 TIMING: 3865200 CPU: 12075.3, 0.00309203/step Wall: 12075.3, 0.00309203/step, 0.974675 hours remaining, 234.070312 MB of memory in use. ENERGY: 3865200 3978.6166 20375.9048 14490.3327 247.0032 -203333.3814 2686.1681 0.0000 0.0000 52038.2549 -109517.1012 299.0646 -161555.3561 -109150.5437 298.8940 31.0327 59.0034 760749.7613 -21.2952 -21.4485 PRESSURE: 3865400 81.2887 -57.6407 -60.0266 -57.6405 -289.003 147.276 -60.027 147.277 -143.098 GPRESSURE: 3865400 50.1367 -59.7209 -95.0812 -24.6494 -211.941 156.244 -50.8514 71.5292 -121.636 PRESSAVG: 3865400 18.9506 -8.48392 -31.6423 -8.48386 5.85691 12.4368 -31.6423 12.4368 21.4597 GPRESSAVG: 3865400 18.2562 -9.91944 -32.1657 -8.56237 6.24538 13.7233 -28.5257 10.788 21.6061 TIMING: 3865400 CPU: 12075.9, 0.00309307/step Wall: 12075.9, 0.00309307/step, 0.974833 hours remaining, 234.070312 MB of memory in use. ENERGY: 3865400 4062.5614 20455.8742 14470.8268 285.0093 -203528.8402 2744.9616 0.0000 0.0000 52154.3237 -109355.2832 299.7316 -161509.6069 -108989.5616 298.9017 -116.9375 -94.4801 761652.0691 15.4224 15.3692 PRESSURE: 3865600 -173.522 18.6646 -21.1424 18.6635 -276.169 146.806 -21.1422 146.805 -265.325 GPRESSURE: 3865600 -90.8956 -24.2616 -65.0411 35.3508 -344.983 109.642 165.002 204.123 -202.289 PRESSAVG: 3865600 48.4171 11.6387 -7.48405 11.6386 -23.9651 89.5745 -7.48408 89.5745 5.51719 GPRESSAVG: 3865600 49.0159 10.7783 -8.15418 10.486 -23.6589 89.0453 -7.92988 90.6746 4.6318 TIMING: 3865600 CPU: 12076.5, 0.00310288/step Wall: 12076.5, 0.00310288/step, 0.977752 hours remaining, 234.070312 MB of memory in use. ENERGY: 3865600 3996.9162 20498.1682 14483.1607 250.8307 -203163.2247 2421.2108 0.0000 0.0000 52170.1600 -109342.7781 299.8226 -161512.9382 -108979.4654 299.0349 -238.3388 -212.7227 760702.3769 9.9898 9.9963 PRESSURE: 3865800 283.685 -65.7068 70.189 -65.7067 -20.7339 -221.752 70.1894 -221.752 -114.576 GPRESSURE: 3865800 414.154 19.4201 130.164 -117.088 -26.9881 -232.927 190.872 -194.803 -155.253 PRESSAVG: 3865800 46.5128 51.4117 5.67425 51.4118 -36.6725 -48.5188 5.67431 -48.5189 22.6562 GPRESSAVG: 3865800 46.1704 53.0778 7.99256 50.374 -36.5932 -48.3018 4.80132 -47.3755 23.0329 TIMING: 3865800 CPU: 12077.2, 0.00312107/step Wall: 12077.2, 0.00312107/step, 0.983312 hours remaining, 234.070312 MB of memory in use. ENERGY: 3865800 3952.6319 20503.5663 14472.5102 239.8444 -203315.6005 2754.6299 0.0000 0.0000 51916.6531 -109475.7646 298.3657 -161392.4178 -109107.6571 298.7793 49.4583 77.3043 762589.2534 10.8322 10.8700 PRESSURE: 3866000 152.722 9.23587 10.0997 9.23591 223.003 -91.4794 10.0999 -91.4796 370.975 GPRESSURE: 3866000 220.714 -37.537 -46.0888 45.4626 245.866 -13.5527 -87.666 -94.4794 351.359 PRESSAVG: 3866000 12.277 -13.8848 -43.1758 -13.8848 -2.73226 -5.882 -43.1758 -5.88201 -3.59156 GPRESSAVG: 3866000 12.5651 -14.7314 -45.2192 -12.5437 -3.62661 -4.64519 -45.1376 -7.85636 -2.93381 TIMING: 3866000 CPU: 12077.8, 0.00312328/step Wall: 12077.8, 0.00312328/step, 0.983832 hours remaining, 234.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3866000 3983.5348 20619.8183 14451.5866 249.3954 -203782.7961 3071.7797 0.0000 0.0000 51905.2269 -109501.4542 298.3001 -161406.6812 -109147.9154 298.8482 248.8999 272.6463 762245.6638 1.9844 2.0016 PRESSURE: 3866200 209.878 43.8607 50.8683 43.8609 -299.95 -17.3089 50.8686 -17.3089 -18.4368 GPRESSURE: 3866200 238.301 -6.22101 92.029 61.7865 -254.707 -70.9291 75.3453 -161.562 -14.6875 PRESSAVG: 3866200 28.0852 13.3328 48.2988 13.3328 10.5175 -9.64777 48.2989 -9.64763 -9.7866 GPRESSAVG: 3866200 28.5826 12.2906 46.9526 15.0939 11.3781 -9.60816 50.2618 -9.52828 -11.0862 TIMING: 3866200 CPU: 12078.4, 0.00312899/step Wall: 12078.4, 0.00312899/step, 0.985459 hours remaining, 234.070312 MB of memory in use. ENERGY: 3866200 3924.7673 20387.4500 14480.2957 248.2738 -203105.3478 2529.2388 0.0000 0.0000 51900.3793 -109634.9428 298.2722 -161535.3222 -109275.9253 298.5215 -36.1697 -10.3643 763585.7777 9.6054 9.6248 PRESSURE: 3866400 -376.783 -129.031 110.094 -129.032 -166.726 68.3886 110.094 68.3889 -287.924 GPRESSURE: 3866400 -381.566 -121.094 12.959 -202.469 -105.622 49.0266 167.71 56.2473 -258.681 PRESSAVG: 3866400 34.378 -11.7425 6.05538 -11.7425 0.346396 -35.7589 6.05539 -35.7589 18.0438 GPRESSAVG: 3866400 35.1818 -10.6766 6.68258 -14.0068 -0.943009 -34.9129 6.16175 -36.589 18.2062 TIMING: 3866400 CPU: 12079, 0.00313026/step Wall: 12079, 0.00313026/step, 0.985685 hours remaining, 234.070312 MB of memory in use. ENERGY: 3866400 4036.7158 20226.9651 14501.3003 268.1377 -203444.1901 2773.1299 0.0000 0.0000 52022.2544 -109615.6869 298.9726 -161637.9413 -109258.0884 298.0492 -277.1443 -248.6229 761779.5996 17.5894 17.4817 PRESSURE: 3866600 -67.4027 63.7456 32.821 63.7451 63.3329 -171.218 32.8203 -171.219 -128.655 GPRESSURE: 3866600 -24.8601 -47.3586 61.7467 118.432 119.254 -257.65 106.045 -94.2005 -139.517 PRESSAVG: 3866600 -15.2097 22.8988 -33.6781 22.8987 38.4595 -22.0065 -33.6781 -22.0065 -26.7536 GPRESSAVG: 3866600 -15.7209 22.2909 -33.7449 24.151 37.8654 -25.6835 -32.8713 -21.649 -26.4677 TIMING: 3866600 CPU: 12079.7, 0.00311476/step Wall: 12079.7, 0.00311476/step, 0.980629 hours remaining, 234.070312 MB of memory in use. ENERGY: 3866600 3945.7497 20500.4820 14491.0454 245.6997 -203212.5182 2611.4918 0.0000 0.0000 52033.1581 -109384.8915 299.0353 -161418.0496 -109022.3796 298.9646 -44.2417 -15.0410 762329.8299 -1.1679 -1.4411 PRESSURE: 3866800 -186.257 -45.7759 -73.8714 -45.7757 -31.3024 167.425 -73.872 167.426 -78.84 GPRESSURE: 3866800 -104.422 14.6312 -104.725 157.125 -33.9288 195.568 -2.812 271.535 -82.2421 PRESSAVG: 3866800 2.71541 -42.8823 -20.256 -42.8823 8.77459 6.67925 -20.256 6.6794 1.95945 GPRESSAVG: 3866800 1.10119 -43.4801 -18.6358 -42.0375 10.1308 9.19589 -22.6868 8.00933 1.9382 TIMING: 3866800 CPU: 12080.3, 0.00310984/step Wall: 12080.3, 0.00310984/step, 0.978909 hours remaining, 234.070312 MB of memory in use. ENERGY: 3866800 3991.3555 20425.2396 14580.4490 260.7319 -203157.6429 2586.2443 0.0000 0.0000 51941.6150 -109372.0074 298.5092 -161313.6224 -109018.1329 298.9213 -98.7997 -73.5310 761603.9706 4.4832 4.3900 PRESSURE: 3867000 -132.192 -0.850386 -106.934 -0.85023 109.851 -295.803 -106.933 -295.803 52.4285 GPRESSURE: 3867000 1.54933 32.5039 -127.502 -22.1483 5.36531 -260.731 14.5177 -376.993 102.521 PRESSAVG: 3867000 1.49386 34.6356 37.3077 34.6356 17.6244 -36.4314 37.3078 -36.4314 -1.43454 GPRESSAVG: 3867000 1.98648 35.0982 35.0529 34.235 17.1939 -37.9039 40.3461 -39.2584 -2.02668 TIMING: 3867000 CPU: 12080.9, 0.00309698/step Wall: 12080.9, 0.00309698/step, 0.974689 hours remaining, 234.070312 MB of memory in use. ENERGY: 3867000 3930.4214 20417.5678 14517.1046 239.7267 -203581.2411 2919.4440 0.0000 0.0000 52174.9842 -109381.9922 299.8504 -161556.9764 -109018.5474 298.6244 10.0292 36.4786 761467.2432 5.8946 5.7179 PRESSURE: 3867200 260.639 19.6088 111.515 19.6088 141.017 -4.89851 111.516 -4.89907 60.3352 GPRESSURE: 3867200 256.068 131.378 48.9097 58.8388 147.252 24.5465 59.5672 -83.3514 122.809 PRESSAVG: 3867200 52.5947 -39.3729 -3.89267 -39.3729 -28.7075 -32.2702 -3.89263 -32.2702 6.52659 GPRESSAVG: 3867200 51.6815 -37.835 -5.43093 -40.8552 -29.2718 -32.6106 -4.76103 -29.1922 8.16871 TIMING: 3867200 CPU: 12081.5, 0.00309702/step Wall: 12081.5, 0.00309702/step, 0.974529 hours remaining, 234.070312 MB of memory in use. ENERGY: 3867200 3989.4322 20449.7238 14478.4312 236.0577 -203505.1743 2764.7082 0.0000 0.0000 52368.8261 -109217.9952 300.9644 -161586.8213 -108851.2593 298.7149 153.9973 175.3763 759749.0308 10.1379 10.1928 PRESSURE: 3867400 59.7005 -81.5461 -109.912 -81.5466 317.028 106.453 -109.911 106.452 31.6564 GPRESSURE: 3867400 59.5504 -148.114 -173.258 -8.32247 343.308 256.98 -45.8884 -32.2244 49.5749 PRESSAVG: 3867400 -12.0267 -19.7902 -2.06674 -19.7902 19.231 33.8122 -2.06675 33.8122 -14.3656 GPRESSAVG: 3867400 -11.7575 -23.3447 -1.75271 -19.1245 19.6087 35.215 -2.27593 31.8183 -15.3783 TIMING: 3867400 CPU: 12082.1, 0.00311998/step Wall: 12082.1, 0.00311998/step, 0.98158 hours remaining, 234.070312 MB of memory in use. ENERGY: 3867400 3956.0457 20601.6050 14520.2952 264.3156 -203272.3352 2776.7172 0.0000 0.0000 51764.0050 -109389.3515 297.4884 -161153.3565 -109030.9889 299.0225 136.1283 150.8110 762310.1360 -2.3871 -2.5091 PRESSURE: 3867600 20.9392 8.16407 4.2292 8.16405 -179.976 223.267 4.22929 223.266 145.537 GPRESSURE: 3867600 -25.8314 88.6257 5.72026 1.36077 -75.4985 187.119 164.097 217.365 170.264 PRESSAVG: 3867600 -4.15882 -14.4087 61.5439 -14.4086 -26.7414 -23.3611 61.544 -23.3611 -14.9208 GPRESSAVG: 3867600 -3.74496 -13.0866 62.4145 -13.9497 -27.6161 -24.1166 64.0015 -22.676 -13.8238 TIMING: 3867600 CPU: 12082.8, 0.00311809/step Wall: 12082.8, 0.00311809/step, 0.980813 hours remaining, 234.070312 MB of memory in use. ENERGY: 3867600 4008.6973 20636.3392 14582.5403 233.8102 -203234.3229 2486.4557 0.0000 0.0000 51886.6629 -109399.8171 298.1934 -161286.4801 -109045.3908 298.9302 -4.4998 22.9781 761657.6886 -15.2737 -15.0616 PRESSURE: 3867800 232.503 -70.3705 184.373 -70.3707 -129.663 84.3453 184.372 84.3444 93.5561 GPRESSURE: 3867800 243.853 -26.536 268.157 -80.6175 -62.9092 95.1659 146.818 82.6639 117.34 PRESSAVG: 3867800 8.27766 -2.02766 -22.665 -2.02776 -19.5355 20.3892 -22.6651 20.3891 1.52315 GPRESSAVG: 3867800 6.92195 -1.79308 -22.6031 -2.63637 -16.6594 19.5052 -24.8866 20.9538 0.934886 TIMING: 3867800 CPU: 12083.4, 0.00314213/step Wall: 12083.4, 0.00314213/step, 0.988199 hours remaining, 234.070312 MB of memory in use. ENERGY: 3867800 3959.3342 20529.6185 14551.4065 253.7325 -203595.9596 2632.9823 0.0000 0.0000 52167.6022 -109501.2836 299.8079 -161668.8858 -109133.7975 299.0540 65.4657 99.4280 759488.1195 -3.2449 -2.9342 PRESSURE: 3868000 -291.768 120.869 -183.489 120.869 -110.987 -0.0605622 -183.489 -0.060787 -108.775 GPRESSURE: 3868000 -278.333 171.944 -139.255 40.923 -103.097 -99.8323 -177.084 18.296 -36.0413 PRESSAVG: 3868000 66.1663 -42.4411 -29.6785 -42.4412 -12.907 65.4725 -29.6784 65.4726 3.0832 GPRESSAVG: 3868000 67.5265 -42.3594 -29.3353 -41.4782 -14.3282 65.1303 -30.2835 65.5584 3.29315 TIMING: 3868000 CPU: 12084, 0.00314929/step Wall: 12084, 0.00314929/step, 0.990276 hours remaining, 234.070312 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: 3868000 3902.4474 20575.7761 14483.9587 231.9418 -203520.6715 2726.3993 0.0000 0.0000 52077.0311 -109523.1169 299.2874 -161600.1480 -109151.5994 298.7542 -170.5103 -139.1571 762846.4858 18.7808 18.8305 PRESSURE: 3868200 -80.1764 -9.51645 11.1616 -9.51666 -232.862 -161.134 11.1618 -161.134 -140.699 GPRESSURE: 3868200 -31.3318 6.61085 -57.7571 -31.4856 -189.981 -41.8678 -35.7224 -205.294 -149.968 PRESSAVG: 3868200 6.88233 4.92737 -4.61476 4.92731 -27.25 7.81891 -4.61475 7.81886 6.59319 GPRESSAVG: 3868200 6.92827 3.49179 -4.57477 5.06815 -29.1163 9.57054 -2.59042 6.93999 7.6603 TIMING: 3868200 CPU: 12084.7, 0.00315921/step Wall: 12084.7, 0.00315921/step, 0.993222 hours remaining, 234.070312 MB of memory in use. ENERGY: 3868200 3899.8218 20624.8370 14447.5943 256.3889 -203273.8759 2550.9499 0.0000 0.0000 52041.8086 -109452.4754 299.0850 -161494.2839 -109080.0705 298.7924 -151.2458 -123.7603 761304.9748 -4.5915 -4.8426 LDB: ============= START OF LOAD BALANCING ============== 12097.1 LDB: ============== END OF LOAD BALANCING =============== 12097.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12097.1 LDB: ============= START OF LOAD BALANCING ============== 12097.5 LDB: Largest compute 6998 load 0.029067 is 14.9% of average load 0.195243 LDB: Average compute 0.004377 is 2.2% of average load 0.195243 LDB: TIME 12097.5 LOAD: AVG 0.195243 MAX 0.213066 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.582 MB LDB: TIME 12097.5 LOAD: AVG 0.195243 MAX 0.213066 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.586 MB LDB: TIME 12097.5 LOAD: AVG 0.195243 MAX 0.213066 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.586 MB LDB: ============== END OF LOAD BALANCING =============== 12097.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12097.5 PRESSURE: 3868400 21.7212 51.3329 45.669 51.3326 -67.5817 -111.47 45.6682 -111.47 254.747 GPRESSURE: 3868400 108.121 13.9163 23.4599 36.1732 -59.2117 -151.098 107.676 9.90359 251.51 PRESSAVG: 3868400 57.1792 -44.2027 8.04443 -44.2027 -42.6904 5.17144 8.04441 5.17141 1.59885 GPRESSAVG: 3868400 56.2828 -44.4134 8.92628 -44.7637 -41.22 4.21945 7.90371 6.2047 1.24626 TIMING: 3868400 CPU: 12085.3, 0.0031848/step Wall: 12085.3, 0.0031848/step, 1.00109 hours remaining, 234.253906 MB of memory in use. ENERGY: 3868400 3960.5361 20450.3575 14544.5048 254.1145 -203189.6078 2469.2912 0.0000 0.0000 52019.4870 -109491.3168 298.9567 -161510.8038 -109117.9783 298.9804 69.6288 100.1398 761258.4019 5.3625 5.4363 PRESSURE: 3868600 175.283 32.5078 43.8826 32.507 -151.766 118.392 43.8825 118.392 -448.487 GPRESSURE: 3868600 147.865 -8.97208 91.4685 28.676 -105.3 97.3185 -22.5979 27.0413 -407.893 PRESSAVG: 3868600 33.0978 -7.04002 -17.0598 -7.04 10.0863 -12.3713 -17.0599 -12.3714 -10.8713 GPRESSAVG: 3868600 34.0694 -7.32104 -18.8704 -7.28023 10.1695 -12.4154 -16.516 -12.419 -12.3878 TIMING: 3868600 CPU: 12085.9, 0.00310697/step Wall: 12085.9, 0.00310697/step, 0.97645 hours remaining, 234.656250 MB of memory in use. ENERGY: 3868600 4045.7468 20383.9413 14488.8325 265.8486 -203335.3399 2523.8557 0.0000 0.0000 51992.6231 -109634.4920 298.8023 -161627.1151 -109264.5536 298.4388 -141.6568 -121.7759 762674.9660 10.7709 10.6170 PRESSURE: 3868800 -253.844 -91.2998 -255.939 -91.2998 -105.163 107.715 -255.94 107.716 -137.262 GPRESSURE: 3868800 -144.65 0.143456 -202.44 -31.0015 -125.593 94.4031 -213.859 199.076 -146.538 PRESSAVG: 3868800 -9.85823 -43.6928 -30.3744 -43.6928 11.1292 27.4133 -30.3744 27.4132 -6.86461 GPRESSAVG: 3868800 -10.4273 -42.312 -29.8774 -42.4675 10.3214 28.5086 -29.9095 24.6608 -5.97869 TIMING: 3868800 CPU: 12086.5, 0.00312198/step Wall: 12086.5, 0.00312198/step, 0.980997 hours remaining, 234.656250 MB of memory in use. ENERGY: 3868800 4103.4797 20409.1972 14475.2444 251.6100 -203082.5741 2445.1451 0.0000 0.0000 51881.9502 -109515.9476 298.1663 -161397.8977 -109151.7910 298.2054 -165.4230 -138.9270 763358.1333 -1.8645 -2.0282 PRESSURE: 3869000 -99.5505 -45.6959 -170.494 -45.6963 -19.8324 262.603 -170.494 262.603 -25.5934 GPRESSURE: 3869000 -53.9818 -48.5396 -111.617 -48.743 62.8012 271.305 -223.644 178.864 -47.8623 PRESSAVG: 3869000 -1.31983 15.5466 -50.1533 15.5466 30.7274 -3.10726 -50.1533 -3.10732 -5.04105 GPRESSAVG: 3869000 -1.4261 14.3675 -48.962 14.4969 31.3046 -2.4054 -52.2605 -1.58161 -4.86222 TIMING: 3869000 CPU: 12087.2, 0.0031642/step Wall: 12087.2, 0.0031642/step, 0.994088 hours remaining, 234.644531 MB of memory in use. ENERGY: 3869000 4010.9834 20579.7157 14461.5688 239.9381 -203394.9987 2852.7190 0.0000 0.0000 51831.0152 -109419.0586 297.8736 -161250.0737 -109067.8210 298.7851 -48.3254 -13.0143 764108.0312 8.1222 8.3388 PRESSURE: 3869200 232.585 326.96 -21.0467 326.96 112.235 -38.4416 -21.0463 -38.4416 128.507 GPRESSURE: 3869200 281.198 166.575 -41.8779 256.378 59.2421 44.5673 24.4215 -214.703 218.39 PRESSAVG: 3869200 -1.92937 0.815738 -67.1707 0.815801 15.7717 -20.3468 -67.1707 -20.3468 -9.27554 GPRESSAVG: 3869200 -1.14779 0.495297 -67.5975 2.26147 14.8857 -23.2344 -68.0956 -19.2515 -8.71788 TIMING: 3869200 CPU: 12087.8, 0.00313743/step Wall: 12087.8, 0.00313743/step, 0.985501 hours remaining, 234.656250 MB of memory in use. ENERGY: 3869200 4001.8031 20488.6863 14414.1337 247.2972 -203897.0213 3083.4180 0.0000 0.0000 52131.0072 -109530.6758 299.5976 -161661.6829 -109166.2678 298.5613 157.7756 186.2765 763756.0100 1.5223 1.6734 PRESSURE: 3869400 -183.978 -282.511 65.5034 -282.511 -269.265 45.0285 65.5035 45.028 -143.419 GPRESSURE: 3869400 -60.8866 -166.943 153.762 -274.618 -225.741 -10.3032 53.1264 48.3351 -218.192 PRESSAVG: 3869400 38.9279 28.21 -2.36386 28.2101 -20.0729 -31.1429 -2.36397 -31.1429 10.59 GPRESSAVG: 3869400 38.6027 30.0326 -2.45363 26.3507 -18.9496 -28.9409 -2.60521 -33.9715 9.3608 TIMING: 3869400 CPU: 12088.4, 0.00313949/step Wall: 12088.4, 0.00313949/step, 0.985973 hours remaining, 234.656250 MB of memory in use. ENERGY: 3869400 3983.1746 20570.4504 14448.0994 246.1544 -202694.6557 2357.0194 0.0000 0.0000 51754.8728 -109334.8847 297.4360 -161089.7575 -108971.3810 298.5666 -198.8873 -168.2733 764323.1213 9.8150 9.6713 PRESSURE: 3869600 -286.444 76.0786 114.744 76.0781 -47.5846 -102.148 114.744 -102.148 -385.499 GPRESSURE: 3869600 -327.448 138.454 71.9748 117.801 -33.8469 -97.7001 161.312 -23.2155 -267.165 PRESSAVG: 3869600 5.36812 2.82979 -37.935 2.82981 30.4112 -6.33106 -37.9351 -6.3311 1.48026 GPRESSAVG: 3869600 4.81785 2.3871 -39.3733 4.0783 30.1352 -7.44242 -36.0702 -2.65776 2.89434 TIMING: 3869600 CPU: 12089.1, 0.00311762/step Wall: 12089.1, 0.00311762/step, 0.978933 hours remaining, 234.656250 MB of memory in use. ENERGY: 3869600 4035.0559 20504.1729 14472.6437 242.0272 -203401.2829 2599.5647 0.0000 0.0000 52303.8079 -109244.0106 300.5907 -161547.8185 -108890.8821 299.4587 -239.8424 -209.4867 761645.0957 12.4199 12.6158 PRESSURE: 3869800 -179.783 280.134 -91.3318 280.134 -174.192 319.848 -91.3317 319.848 -102.178 GPRESSURE: 3869800 -92.5014 156.086 -132.71 291.023 -132.387 222.563 48.756 277.901 -145.117 PRESSAVG: 3869800 9.28601 -29.4004 20.2067 -29.4005 13.9565 26.1375 20.2067 26.1373 2.90874 GPRESSAVG: 3869800 10.0806 -30.7789 19.5583 -30.3815 15.2018 25.6632 18.784 23.7046 1.2495 TIMING: 3869800 CPU: 12089.7, 0.00312112/step Wall: 12089.7, 0.00312111/step, 0.979857 hours remaining, 234.656250 MB of memory in use. ENERGY: 3869800 3986.0146 20483.4467 14527.2788 239.9642 -203464.9416 2777.9816 0.0000 0.0000 51984.8056 -109465.4501 298.7574 -161450.2557 -109099.3409 299.2366 -152.0513 -123.3350 761571.1695 8.7171 8.8440 PRESSURE: 3870000 42.0284 -68.7762 -22.909 -68.7763 -200.118 -91.6092 -22.9098 -91.61 34.0506 GPRESSURE: 3870000 49.1404 -52.344 -61.495 -90.6641 -157.668 -87.2761 75.9124 -29.517 48.6705 PRESSAVG: 3870000 -36.398 2.77366 36.2462 2.77364 -9.87003 25.3024 36.2462 25.3024 4.14988 GPRESSAVG: 3870000 -37.5552 4.93802 38.3259 5.03214 -10.6027 25.4513 40.6629 23.9994 5.52185 TIMING: 3870000 CPU: 12090.3, 0.00311356/step Wall: 12090.3, 0.00311356/step, 0.977312 hours remaining, 234.656250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3870000 3961.4687 20494.0505 14482.2321 245.9552 -203242.0925 2609.8188 0.0000 0.0000 52364.2593 -109084.3079 300.9381 -161448.5671 -108724.3410 298.9829 -41.3462 -19.9525 762613.4936 -14.0394 -14.2120 PRESSURE: 3870200 -179.419 -360.968 -227.146 -360.968 476.731 -114.013 -227.145 -114.011 -299.965 GPRESSURE: 3870200 -108.751 -333.474 -196.799 -280.71 417.155 -127.481 -122.662 -150.203 -230.927 PRESSAVG: 3870200 -25.4339 -56.455 -7.20366 -56.455 1.52921 53.1956 -7.2037 53.1956 12.9445 GPRESSAVG: 3870200 -24.1603 -57.2782 -8.32394 -58.4656 1.12106 55.7144 -9.90304 52.3994 11.9689 TIMING: 3870200 CPU: 12090.9, 0.00309608/step Wall: 12090.9, 0.00309608/step, 0.971654 hours remaining, 234.656250 MB of memory in use. ENERGY: 3870200 3992.7976 20546.7308 14538.0132 228.8240 -203264.1038 2650.7104 0.0000 0.0000 52007.7621 -109299.2657 298.8893 -161307.0278 -108941.4711 299.3230 -0.8845 25.8259 762258.9126 -3.6534 -3.6901 PRESSURE: 3870400 -15.0851 -20.2538 89.6829 -20.2536 -30.5633 -140.93 89.6822 -140.931 -333.374 GPRESSURE: 3870400 1.03518 -81.5212 77.8137 98.2681 -56.2169 -81.9278 88.6198 -51.1787 -246.725 PRESSAVG: 3870400 17.4898 -36.4293 -48.8939 -36.4292 -6.31003 23.7375 -48.8939 23.7374 -5.21754 GPRESSAVG: 3870400 16.8671 -37.2348 -48.6688 -34.1878 -6.06484 23.17 -50.0662 23.7686 -4.77912 TIMING: 3870400 CPU: 12091.5, 0.00310628/step Wall: 12091.5, 0.00310628/step, 0.974682 hours remaining, 234.656250 MB of memory in use. ENERGY: 3870400 4022.8289 20638.0624 14512.8083 240.1028 -203358.8245 2524.7930 0.0000 0.0000 52040.6154 -109379.6138 299.0781 -161420.2292 -109026.1696 299.0681 -126.3409 -100.6357 761534.0367 1.9874 2.0077 PRESSURE: 3870600 -206.586 -64.5667 84.3786 -64.5669 -150.313 200.168 84.3786 200.168 -72.1995 GPRESSURE: 3870600 -266.05 -88.5416 60.7294 -65.5452 -55.0637 224.189 77.0497 -2.83704 3.98995 PRESSAVG: 3870600 -7.8559 -36.624 -36.0142 -36.624 16.0736 -32.8074 -36.0142 -32.8074 8.93498 GPRESSAVG: 3870600 -7.9657 -35.903 -36.6687 -37.9294 16.0069 -32.4578 -36.4554 -33.3596 10.0044 TIMING: 3870600 CPU: 12092.2, 0.00310973/step Wall: 12092.2, 0.00310973/step, 0.975592 hours remaining, 234.656250 MB of memory in use. ENERGY: 3870600 4017.4326 20397.3319 14439.0758 245.4324 -203552.2480 2903.1540 0.0000 0.0000 52373.7855 -109176.0358 300.9929 -161549.8213 -108804.6611 299.3393 -143.0329 -105.7078 762235.5899 5.7176 6.0152 PRESSURE: 3870800 335.14 -104.714 -239.524 -104.715 -152.418 36.5849 -239.524 36.585 -252.132 GPRESSURE: 3870800 402.423 -96.1298 -239.649 -156.317 -185.931 -9.78425 -152.929 88.1819 -212.051 PRESSAVG: 3870800 -29.0134 -49.0728 -18.0836 -49.0728 35.0426 -26.5305 -18.0837 -26.5304 2.40945 GPRESSAVG: 3870800 -30.1405 -48.4514 -17.6484 -50.1161 36.4101 -28.1198 -15.7652 -24.8188 1.92878 TIMING: 3870800 CPU: 12092.8, 0.00312499/step Wall: 12092.8, 0.00312499/step, 0.980205 hours remaining, 234.656250 MB of memory in use. ENERGY: 3870800 3958.8998 20519.3759 14486.2761 252.8726 -203398.0728 2740.0841 0.0000 0.0000 52430.6753 -109009.8890 301.3198 -161440.5643 -108635.9289 299.9743 -23.1365 1.4805 762719.7211 2.8129 2.7328 PRESSURE: 3871000 -283.622 211.917 37.0852 211.918 -208.345 81.2848 37.0856 81.2853 -776.831 GPRESSURE: 3871000 -277.744 174.309 34.0794 176.474 -136.359 70.144 -4.58167 80.4665 -760.377 PRESSAVG: 3871000 -50.3139 -7.81542 -62.6797 -7.81542 46.2238 -3.13393 -62.6797 -3.13399 -3.65061 GPRESSAVG: 3871000 -50.2209 -10.2722 -62.4586 -7.5869 47.3343 -3.07772 -63.1609 -0.485473 -4.39 TIMING: 3871000 CPU: 12093.4, 0.00311654/step Wall: 12093.4, 0.00311654/step, 0.977381 hours remaining, 234.656250 MB of memory in use. ENERGY: 3871000 4070.2010 20509.5611 14378.2093 259.6495 -202778.1328 2408.3567 0.0000 0.0000 52162.9582 -108989.1969 299.7812 -161152.1551 -108617.5556 299.6793 -422.9323 -391.4932 765329.7362 -2.5802 -2.4255 PRESSURE: 3871200 160.132 -28.1779 173.465 -28.1777 101.233 139.479 173.465 139.478 79.0828 GPRESSURE: 3871200 187.103 15.3167 95.0578 -27.2696 122.113 146.799 235.051 157.699 98.3841 PRESSAVG: 3871200 37.9798 -7.53822 -53.6208 -7.53823 11.8508 23.9825 -53.6208 23.9825 -1.0604 GPRESSAVG: 3871200 39.849 -6.26218 -52.518 -8.77416 9.36356 22.9479 -53.846 22.9817 0.12019 TIMING: 3871200 CPU: 12094, 0.00311381/step Wall: 12094, 0.00311381/step, 0.976351 hours remaining, 234.656250 MB of memory in use. ENERGY: 3871200 4070.6339 20442.3073 14421.8232 250.8804 -203010.8838 2693.4819 0.0000 0.0000 52049.5399 -109082.2171 299.1294 -161131.7570 -108723.0485 299.0750 113.4824 135.8669 763344.4722 16.2567 16.4442 PRESSURE: 3871400 30.6347 69.8031 -65.5496 69.8021 273.451 -1.44507 -65.5496 -1.44497 -58.3111 GPRESSURE: 3871400 25.735 54.7758 -100.119 206.596 309.205 -73.6472 -32.6726 27.4277 -21.3262 PRESSAVG: 3871400 -10.4033 -7.95163 45.1226 -7.95165 -22.5507 23.9943 45.1227 23.9942 -35.325 GPRESSAVG: 3871400 -11.1026 -6.63458 44.2967 -7.36721 -21.3881 24.7419 43.7013 21.4211 -35.3835 TIMING: 3871400 CPU: 12094.7, 0.00311679/step Wall: 12094.7, 0.00311679/step, 0.977114 hours remaining, 234.656250 MB of memory in use. ENERGY: 3871400 4073.2311 20507.6967 14503.1127 237.8282 -203269.6441 3082.8923 0.0000 0.0000 51877.1138 -108987.7694 298.1385 -160864.8832 -108627.5133 299.4868 81.9248 104.5378 763294.3366 -22.7597 -22.6247 PRESSURE: 3871600 105.711 65.5839 -113.412 65.5833 265.084 43.7138 -113.411 43.7133 619.887 GPRESSURE: 3871600 172.316 99.3375 -99.4391 -58.3417 324.626 35.6325 -84.0948 11.359 571.858 PRESSAVG: 3871600 -67.1347 -14.1829 -20.2973 -14.1829 34.0892 13.8982 -20.2973 13.8982 9.06603 GPRESSAVG: 3871600 -68.0253 -15.7512 -22.0224 -13.6617 35.9267 13.9742 -17.9975 15.0538 8.06308 TIMING: 3871600 CPU: 12095.3, 0.00312856/step Wall: 12095.3, 0.00312856/step, 0.980629 hours remaining, 234.656250 MB of memory in use. ENERGY: 3871600 3893.3928 20380.1589 14446.6265 251.5797 -203071.6517 2825.5831 0.0000 0.0000 52258.1517 -109016.1590 300.3283 -161274.3106 -108648.7096 299.6475 330.2275 356.2668 763379.4455 -7.9932 -8.0119 PRESSURE: 3871800 -231.542 16.6436 -190.078 16.643 -33.9598 337.213 -190.078 337.211 119.049 GPRESSURE: 3871800 -177.06 -125.663 -185.497 -0.514376 8.18953 255.32 -328.723 278.75 123.847 PRESSAVG: 3871800 -4.53901 20.5179 -32.1649 20.5178 22.1465 25.9446 -32.1649 25.9446 -6.18932 GPRESSAVG: 3871800 -3.14716 22.3424 -30.7792 19.5829 19.9559 26.0557 -33.2088 26.3358 -5.39506 TIMING: 3871800 CPU: 12095.9, 0.0031375/step Wall: 12095.9, 0.0031375/step, 0.983259 hours remaining, 234.656250 MB of memory in use. ENERGY: 3871800 4061.4927 20474.4150 14450.9789 240.0723 -203130.7183 2767.1543 0.0000 0.0000 52271.8610 -108864.7442 300.4071 -161136.6052 -108512.1321 300.1597 -48.8178 -15.0077 763466.4484 3.8060 3.8046 PRESSURE: 3872000 105.855 68.9489 81.5507 68.9487 77.4412 257.462 81.5514 257.461 51.4094 GPRESSURE: 3872000 123.785 159.609 124.006 43.5157 152.06 200.386 -9.52047 127.888 69.2824 PRESSAVG: 3872000 9.00003 -21.8461 -48.9847 -21.8461 3.76309 15.8164 -48.9848 15.8164 15.7961 GPRESSAVG: 3872000 7.20271 -23.8435 -48.8967 -21.5636 4.67802 15.4435 -49.0965 13.8081 16.4632 TIMING: 3872000 CPU: 12096.5, 0.00311052/step Wall: 12096.5, 0.00311052/step, 0.974629 hours remaining, 234.656250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3872000 3936.1193 20539.9978 14525.3700 265.8912 -203009.5739 2832.4098 0.0000 0.0000 51963.4324 -108946.3534 298.6346 -160909.7858 -108583.9733 300.0478 78.2353 115.0425 762959.6165 9.5198 9.4480 PRESSURE: 3872200 63.618 21.0071 14.1749 21.007 -64.1127 -255.2 14.1747 -255.201 -12.4498 GPRESSURE: 3872200 86.7464 5.20732 -50.5274 92.9761 -90.5456 -200.852 -76.6574 -295.56 61.9744 PRESSAVG: 3872200 -17.4261 40.4906 -44.8243 40.4906 -22.1531 -1.24951 -44.8243 -1.2496 14.2394 GPRESSAVG: 3872200 -16.8289 42.2851 -45.5471 41.044 -21.4517 -0.66175 -45.2038 -0.141583 12.6862 TIMING: 3872200 CPU: 12097.2, 0.00311671/step Wall: 12097.2, 0.00311671/step, 0.976396 hours remaining, 234.656250 MB of memory in use. ENERGY: 3872200 3950.6894 20586.6687 14469.0817 248.3682 -202907.6024 2595.6583 0.0000 0.0000 52382.0264 -108675.1097 301.0402 -161057.1361 -108305.8091 300.0921 -4.3149 19.3917 763668.0385 -8.4466 -8.5315 LDB: ============= START OF LOAD BALANCING ============== 12109.6 LDB: ============== END OF LOAD BALANCING =============== 12109.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12109.6 LDB: ============= START OF LOAD BALANCING ============== 12109.9 LDB: Largest compute 6998 load 0.031673 is 16.2% of average load 0.195269 LDB: Average compute 0.004357 is 2.2% of average load 0.195269 LDB: TIME 12110 LOAD: AVG 0.195269 MAX 0.21528 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.797 MB LDB: TIME 12110 LOAD: AVG 0.195269 MAX 0.21528 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.867 MB LDB: TIME 12110 LOAD: AVG 0.195269 MAX 0.21528 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.867 MB LDB: ============== END OF LOAD BALANCING =============== 12110 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12110 PRESSURE: 3872400 -105.47 -34.7884 -57.3344 -34.7881 -386.333 22.4507 -57.3342 22.4505 255.482 GPRESSURE: 3872400 -91.2161 -99.4041 -94.157 39.5097 -313.535 -39.3807 -75.0184 -62.4058 260.365 PRESSAVG: 3872400 10.0876 -8.13186 -1.87338 -8.13191 -6.40011 23.8948 -1.87339 23.8949 -27.8082 GPRESSAVG: 3872400 11.7388 -8.62917 -0.59059 -8.34543 -8.21319 23.9405 -2.84301 23.5642 -27.3958 TIMING: 3872400 CPU: 12097.8, 0.00317124/step Wall: 12097.8, 0.00317124/step, 0.993301 hours remaining, 234.261719 MB of memory in use. ENERGY: 3872400 4024.2085 20649.8805 14570.1153 263.2614 -203220.8458 2837.4303 0.0000 0.0000 52287.5282 -108588.4215 300.4971 -160875.9497 -108232.4990 300.5424 -78.7739 -48.1287 762376.7564 -8.0402 -7.9567 PRESSURE: 3872600 264.729 -43.3284 21.0578 -43.3271 178.088 -57.37 21.0572 -57.3706 360.331 GPRESSURE: 3872600 159.247 0.590514 31.1627 -27.286 310.489 -46.9909 37.9763 -299.183 380.579 PRESSAVG: 3872600 8.22072 -12.8223 21.7498 -12.8223 8.34257 43.2821 21.7498 43.282 10.7583 GPRESSAVG: 3872600 6.75731 -14.6944 19.8836 -11.8548 9.5888 43.6215 23.671 39.6262 10.7758 TIMING: 3872600 CPU: 12098.4, 0.00312935/step Wall: 12098.4, 0.00312935/step, 0.980009 hours remaining, 234.523438 MB of memory in use. ENERGY: 3872600 3942.1384 20622.6550 14487.7254 265.2171 -203020.3301 2653.3802 0.0000 0.0000 52365.8691 -108683.3448 300.9474 -161049.2140 -108310.6767 300.9329 267.7157 283.4383 762518.4892 9.1072 9.0406 PRESSURE: 3872800 269.339 -1.8607 69.5488 -1.86126 -176.637 -281.988 69.5482 -281.988 -32.2311 GPRESSURE: 3872800 267.64 21.5833 149.891 -41.9095 -158.465 -273.089 -39.3447 -173.617 25.9485 PRESSAVG: 3872800 -50.3698 -23.7286 9.07145 -23.7287 30.5601 -9.93977 9.07147 -9.93979 -7.1123 GPRESSAVG: 3872800 -50.2396 -22.9841 10.754 -25.1662 30.5047 -11.7783 9.54746 -5.49316 -7.62074 TIMING: 3872800 CPU: 12099, 0.0031103/step Wall: 12099, 0.0031103/step, 0.97387 hours remaining, 234.523438 MB of memory in use. ENERGY: 3872800 3988.5850 20794.6149 14510.3708 255.2200 -202957.4848 2622.1507 0.0000 0.0000 52235.9497 -108550.5938 300.2007 -160786.5435 -108189.5683 300.5655 20.1570 45.0412 762686.5635 -8.9740 -9.1186 PRESSURE: 3873000 13.6677 90.0289 -39.1884 90.0291 -399.242 -62.856 -39.1885 -62.856 117.703 GPRESSURE: 3873000 81.4054 68.9581 33.2747 16.1716 -421.248 -67.1398 121.431 -215.28 141.507 PRESSAVG: 3873000 24.2355 -3.97263 -1.9145 -3.97264 -68.3605 43.781 -1.9145 43.781 1.31806 GPRESSAVG: 3873000 24.507 -1.77433 -2.9769 -5.07404 -69.4753 46.1876 -2.03563 41.4335 2.33403 TIMING: 3873000 CPU: 12099.7, 0.00312018/step Wall: 12099.7, 0.00312018/step, 0.97679 hours remaining, 234.523438 MB of memory in use. ENERGY: 3873000 4049.2537 20714.2002 14524.5886 261.6656 -203259.5798 2889.6727 0.0000 0.0000 52089.9827 -108730.2162 299.3618 -160820.1989 -108365.0431 300.5218 -89.2902 -66.1117 763762.8174 -14.2690 -14.2114 PRESSURE: 3873200 109.572 61.5455 -178.281 61.5457 -209.527 38.4958 -178.281 38.4959 -432.62 GPRESSURE: 3873200 104.949 47.8118 -135.198 -72.6294 -233.491 61.93 -150.997 152.318 -323.799 PRESSAVG: 3873200 37.5803 -51.4793 -22.4111 -51.4792 -13.4229 13.284 -22.4111 13.284 -27.2479 GPRESSAVG: 3873200 38.2736 -52.1716 -21.9499 -50.5861 -14.3091 14.799 -23.9963 13.4967 -26.8078 TIMING: 3873200 CPU: 12100.3, 0.00311384/step Wall: 12100.3, 0.00311384/step, 0.974631 hours remaining, 234.589844 MB of memory in use. ENERGY: 3873200 3938.7711 20684.4269 14624.5869 231.1903 -203231.5056 2784.3100 0.0000 0.0000 51953.0054 -109015.2151 298.5746 -160968.2205 -108655.9774 299.9779 -177.5249 -150.7804 764526.0758 -1.0302 -0.9478 PRESSURE: 3873400 48.6542 -120.883 57.3712 -120.883 -68.8292 47.5647 57.3714 47.5653 -635.57 GPRESSURE: 3873400 49.9696 -103.158 27.0662 -94.734 -30.8016 101.885 -82.6233 -74.3915 -592.116 PRESSAVG: 3873400 -13.2598 4.95923 -19.6569 4.95922 -29.8278 44.6711 -19.6569 44.6711 5.06378 GPRESSAVG: 3873400 -13.9897 5.79351 -21.2338 4.63278 -28.0123 42.2969 -19.0733 45.9857 4.01025 TIMING: 3873400 CPU: 12100.9, 0.00310507/step Wall: 12100.9, 0.00310507/step, 0.971714 hours remaining, 234.589844 MB of memory in use. ENERGY: 3873400 4020.4591 20658.3415 14518.6641 235.4968 -203273.0707 2738.1381 0.0000 0.0000 52115.5983 -108986.3728 299.5091 -161101.9711 -108629.2247 299.3631 -218.5818 -190.9828 763510.9861 -12.6746 -12.6639 PRESSURE: 3873600 156.517 108.863 92.896 108.862 139.775 -103.61 92.896 -103.61 -206.887 GPRESSURE: 3873600 214.144 123.424 30.0903 35.9798 208.735 -86.62 105.216 -84.4979 -254.149 PRESSAVG: 3873600 17.8275 -31.451 -48.2519 -31.451 -6.55678 -46.5074 -48.2519 -46.5074 -3.94755 GPRESSAVG: 3873600 15.6104 -32.8659 -47.7645 -30.3952 -6.5431 -44.5542 -49.5191 -46.8072 -2.37286 TIMING: 3873600 CPU: 12101.5, 0.00311607/step Wall: 12101.5, 0.00311607/step, 0.974983 hours remaining, 234.589844 MB of memory in use. ENERGY: 3873600 4003.6733 20511.9805 14494.1301 227.8351 -203499.1060 2802.3648 0.0000 0.0000 52245.8719 -109213.2502 300.2577 -161459.1221 -108845.8414 299.0732 29.8017 56.2434 763728.5843 2.4411 2.2315 PRESSURE: 3873800 -597.859 -90.2328 -35.6898 -90.2331 -276.924 -171.346 -35.6899 -171.347 -227.56 GPRESSURE: 3873800 -583.346 -28.5527 -40.4014 -57.325 -234.579 -202.513 8.67416 -144.488 -188.731 PRESSAVG: 3873800 47.6924 -57.8435 39.4357 -57.8435 -50.0015 0.657386 39.4357 0.657429 3.0239 GPRESSAVG: 3873800 49.2204 -55.8618 39.6456 -59.7422 -49.6739 0.104615 40.0432 1.4054 1.50743 TIMING: 3873800 CPU: 12102.2, 0.00309992/step Wall: 12102.2, 0.00309992/step, 0.969759 hours remaining, 234.589844 MB of memory in use. ENERGY: 3873800 4026.8259 20737.2477 14494.6883 270.8484 -203021.5192 2323.7171 0.0000 0.0000 52134.0502 -109034.1417 299.6151 -161168.1918 -108676.1491 299.6941 -367.4474 -335.5519 762794.2358 0.2382 0.3513 PRESSURE: 3874000 116.916 -200.703 -196.988 -200.704 449 -163.547 -196.988 -163.547 272.567 GPRESSURE: 3874000 171.538 -193.339 -110.285 -241.228 433.037 -164.844 -214.196 -194.368 305.32 PRESSAVG: 3874000 -30.9222 -97.7876 -30.008 -97.7875 30.1248 -21.8986 -30.0081 -21.8986 -8.37904 GPRESSAVG: 3874000 -30.557 -99.481 -28.6552 -97.6818 28.968 -21.5684 -31.7459 -23.0241 -7.84661 TIMING: 3874000 CPU: 12102.8, 0.00311176/step Wall: 12102.8, 0.00311176/step, 0.97329 hours remaining, 234.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3874000 3942.9839 20657.5684 14498.8570 256.3009 -203301.8401 2674.3781 0.0000 0.0000 52306.4141 -108965.3377 300.6057 -161271.7518 -108600.4012 299.8490 279.4944 303.2984 761600.1374 -3.0588 -3.1452 PRESSURE: 3874200 -71.4882 -92.9335 -227.211 -92.9325 5.8713 -153.748 -227.211 -153.748 254.778 GPRESSURE: 3874200 -50.9909 -88.962 -261.912 -239.854 57.8451 -80.4278 -141.516 -129.737 260.283 PRESSAVG: 3874200 -32.9795 -35.3269 4.05919 -35.327 30.2623 13.7632 4.05921 13.7632 0.461083 GPRESSAVG: 3874200 -34.1354 -33.3366 1.76751 -35.1586 31.2685 12.4716 6.4953 15.0846 0.688859 TIMING: 3874200 CPU: 12103.4, 0.00311445/step Wall: 12103.4, 0.00311445/step, 0.973956 hours remaining, 234.589844 MB of memory in use. ENERGY: 3874200 4078.4468 20606.5998 14548.9179 248.4976 -203468.7461 2752.4293 0.0000 0.0000 52246.8299 -108987.0247 300.2632 -161233.8546 -108627.9544 300.3816 63.0536 89.0457 760190.9709 -0.7520 -0.7260 PRESSURE: 3874400 -282.612 -26.129 93.9941 -26.1289 -351.746 -110.955 93.9953 -110.955 -137.232 GPRESSURE: 3874400 -199.425 -38.658 28.8377 95.6761 -298.926 -91.123 132.29 -165.591 -213.771 PRESSAVG: 3874400 -44.5906 4.25551 -14.7586 4.25547 15.4934 -9.10168 -14.7585 -9.10176 16.5065 GPRESSAVG: 3874400 -43.8943 2.08127 -12.4275 5.68574 14.8275 -7.56985 -16.5338 -10.7953 16.4436 TIMING: 3874400 CPU: 12104, 0.00312605/step Wall: 12104, 0.00312605/step, 0.977411 hours remaining, 234.589844 MB of memory in use. ENERGY: 3874400 4033.5156 20633.8583 14547.5117 241.6085 -202843.9152 2399.9254 0.0000 0.0000 51990.4950 -108997.0009 298.7901 -160987.4959 -108644.3280 300.2242 -257.1964 -237.3739 762106.4099 -4.1969 -4.2077 PRESSURE: 3874600 81.7476 -25.8189 -26.391 -25.8199 33.9897 -196.677 -26.3906 -196.677 -117.784 GPRESSURE: 3874600 85.1743 87.0431 -69.766 -74.533 48.1255 -272.471 -136.673 -74.4078 -57.2469 PRESSAVG: 3874600 20.718 3.89859 11.6291 3.89854 13.2487 -0.606548 11.6291 -0.606541 10.5136 GPRESSAVG: 3874600 19.9064 3.1787 11.7258 4.55124 13.6728 -2.32767 10.9303 0.802636 10.7671 TIMING: 3874600 CPU: 12104.6, 0.00311672/step Wall: 12104.6, 0.00311672/step, 0.974321 hours remaining, 234.589844 MB of memory in use. ENERGY: 3874600 3968.9232 20590.2936 14486.5565 276.1521 -202911.5819 2568.7417 0.0000 0.0000 52284.1967 -108736.7181 300.4780 -161020.9148 -108370.8998 300.3259 -0.6823 25.3510 763504.0686 14.8268 14.7821 PRESSURE: 3874800 -171.33 8.74723 367.7 8.74754 -72.9926 118.438 367.7 118.438 -198.06 GPRESSURE: 3874800 -155.096 -41.7507 296.599 -2.27776 30.921 92.2433 270.774 127.991 -221.985 PRESSAVG: 3874800 4.29608 -15.784 6.34986 -15.784 -20.4344 19.0468 6.3498 19.0468 10.6845 GPRESSAVG: 3874800 5.01012 -14.0405 5.5075 -17.0748 -19.4702 19.871 6.63367 17.2944 9.14262 TIMING: 3874800 CPU: 12105.3, 0.00310713/step Wall: 12105.3, 0.00310713/step, 0.971151 hours remaining, 234.589844 MB of memory in use. ENERGY: 3874800 4028.2521 20518.3347 14484.2276 255.3223 -202907.6584 2468.1963 0.0000 0.0000 52217.0679 -108936.2575 300.0922 -161153.3254 -108565.9163 299.8230 -147.4610 -115.3865 763179.2825 -1.8179 -1.7725 PRESSURE: 3875000 30.5912 -125.98 -129.799 -125.98 416.26 19.9018 -129.799 19.9025 192.47 GPRESSURE: 3875000 66.9988 -132.144 -177.451 -193.457 419.541 94.6957 -76.6823 55.2773 223.587 PRESSAVG: 3875000 25.4738 -44.3857 19.2085 -44.3858 -31.4154 -9.17293 19.2085 -9.17302 11.1557 GPRESSAVG: 3875000 24.814 -45.3722 19.0585 -45.5964 -32.0938 -10.105 20.6655 -8.3442 11.5442 TIMING: 3875000 CPU: 12105.9, 0.00310268/step Wall: 12105.9, 0.00310268/step, 0.969588 hours remaining, 234.589844 MB of memory in use. ENERGY: 3875000 3968.8667 20636.6784 14475.7102 243.0390 -203121.8136 2675.3216 0.0000 0.0000 52162.6929 -108959.5048 299.7797 -161122.1977 -108605.6163 299.6120 213.1071 236.7091 762272.7304 1.7380 1.4215 PRESSURE: 3875200 186.978 -33.8936 -329.755 -33.8942 -14.2235 205.495 -329.754 205.494 -148.338 GPRESSURE: 3875200 252.978 -2.55956 -363.643 -1.79272 6.29456 290.225 -274.369 142.351 -155.501 PRESSAVG: 3875200 8.97446 11.3177 9.84238 11.3177 34.2362 -22.3476 9.84241 -22.3477 -10.7405 GPRESSAVG: 3875200 8.66221 11.426 11.3532 12.0288 34.3506 -20.8946 10.7306 -21.9668 -10.7273 TIMING: 3875200 CPU: 12106.5, 0.00311443/step Wall: 12106.5, 0.00311443/step, 0.973087 hours remaining, 234.589844 MB of memory in use. ENERGY: 3875200 3981.2112 20520.8110 14516.2430 236.2784 -202879.6418 2448.0881 0.0000 0.0000 52166.8861 -109010.1238 299.8038 -161177.0099 -108643.7818 299.8352 8.1388 34.5904 762806.0880 10.8234 10.7618 PRESSURE: 3875400 -135.711 155.667 130.908 155.667 -168.909 -103.736 130.908 -103.737 -158.362 GPRESSURE: 3875400 -93.3882 71.9428 212.53 76.4862 -166.827 -102.037 99.9173 -182.846 -108.72 PRESSAVG: 3875400 -24.3097 -21.9082 -21.2287 -21.9082 66.2492 -16.1025 -21.2288 -16.1025 -8.26607 GPRESSAVG: 3875400 -22.8369 -21.3261 -22.0881 -19.9569 64.3501 -16.4436 -20.7002 -17.3278 -7.96398 TIMING: 3875400 CPU: 12107.1, 0.00310128/step Wall: 12107.1, 0.00310128/step, 0.968805 hours remaining, 234.589844 MB of memory in use. ENERGY: 3875400 4040.6361 20646.4093 14491.3934 268.5694 -203272.0803 2622.8396 0.0000 0.0000 52158.3310 -109043.9013 299.7546 -161202.2323 -108683.0945 299.9945 -154.3275 -122.9784 762121.4596 11.2245 11.1831 PRESSURE: 3875600 383.982 -30.2133 -365.005 -30.2134 -83.4988 93.6331 -365.005 93.6326 56.868 GPRESSURE: 3875600 371.42 -124.686 -339.585 -122.059 -20.5488 41.3339 -323.039 214.136 68.3857 PRESSAVG: 3875600 27.6866 8.98817 -9.49163 8.98813 -44.4218 -10.5929 -9.4917 -10.5929 1.96208 GPRESSAVG: 3875600 28.4019 8.2974 -9.45051 6.78855 -44.7633 -10.2636 -11.8759 -9.00999 1.55582 TIMING: 3875600 CPU: 12107.7, 0.0030962/step Wall: 12107.7, 0.0030962/step, 0.967047 hours remaining, 234.589844 MB of memory in use. ENERGY: 3875600 3945.6110 20354.4481 14464.3556 244.1449 -203163.0132 2531.2679 0.0000 0.0000 52377.1561 -109246.0297 301.0122 -161623.1857 -108879.5302 299.7289 119.1172 139.7522 761273.2170 -4.9244 -4.9352 PRESSURE: 3875800 368.223 -61.742 115.205 -61.7415 32.0507 191.89 115.204 191.89 -197.977 GPRESSURE: 3875800 379.405 70.3634 120.623 -45.9158 50.5968 169.245 161.217 318.141 -161.825 PRESSAVG: 3875800 20.5062 -26.3194 -15.124 -26.3195 0.118648 46.0672 -15.124 46.0672 -31.2496 GPRESSAVG: 3875800 19.3453 -24.8549 -13.3721 -25.5618 -0.494715 45.8198 -13.5253 46.8592 -29.3451 TIMING: 3875800 CPU: 12108.4, 0.00309973/step Wall: 12108.4, 0.00309973/step, 0.967977 hours remaining, 234.589844 MB of memory in use. ENERGY: 3875800 3975.3321 20752.0819 14444.2689 234.6749 -203619.9269 2772.0847 0.0000 0.0000 52205.7773 -109235.7071 300.0273 -161441.4844 -108884.2967 299.6276 67.4322 89.3922 761123.7948 -3.5416 -3.4982 PRESSURE: 3876000 -214.862 -335.58 -13.5312 -335.58 18.7576 74.5674 -13.5319 74.5681 90.5513 GPRESSURE: 3876000 -116.798 -343.269 44.2297 -262.972 13.8065 73.4306 -133.927 0.617586 74.1562 PRESSAVG: 3876000 1.12288 39.1123 -0.265755 39.1123 13.7603 56.5231 -0.265778 56.523 17.1841 GPRESSAVG: 3876000 1.38024 39.6282 -3.16287 37.5742 15.0852 57.9447 0.412877 56.2256 15.7994 TIMING: 3876000 CPU: 12109, 0.0031118/step Wall: 12109, 0.0031118/step, 0.971574 hours remaining, 234.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3876000 4018.6778 20690.4430 14442.8696 240.5863 -203299.5517 2745.5726 0.0000 0.0000 52144.7364 -109016.6659 299.6765 -161161.4023 -108659.7348 299.6736 -35.1843 -9.6118 761350.4694 10.6891 10.7550 PRESSURE: 3876200 -49.93 122.717 -149.423 122.717 -191.779 -268.549 -149.422 -268.549 -185.241 GPRESSURE: 3876200 -43.7978 32.9385 -230.101 52.8982 -195.128 -293.062 -138.869 -238.742 -104.511 PRESSAVG: 3876200 7.83926 -1.18376 -27.9871 -1.18377 -7.47246 6.37967 -27.9871 6.37966 3.84196 GPRESSAVG: 3876200 7.41725 -2.79818 -27.9441 0.246942 -7.4782 2.61967 -26.646 5.09491 4.90328 TIMING: 3876200 CPU: 12109.6, 0.00311749/step Wall: 12109.6, 0.00311749/step, 0.973177 hours remaining, 234.589844 MB of memory in use. ENERGY: 3876200 4043.2296 20568.4960 14540.3240 251.5841 -202987.0061 2582.7513 0.0000 0.0000 52024.5669 -108976.0542 298.9859 -161000.6211 -108618.8173 300.0829 -142.3167 -114.4791 762584.1905 1.4029 1.6141 LDB: ============= START OF LOAD BALANCING ============== 12122.1 LDB: ============== END OF LOAD BALANCING =============== 12122.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12122.1 LDB: ============= START OF LOAD BALANCING ============== 12122.4 LDB: Largest compute 6998 load 0.030443 is 15.6% of average load 0.195222 LDB: Average compute 0.004385 is 2.2% of average load 0.195222 LDB: TIME 12122.4 LOAD: AVG 0.195222 MAX 0.212417 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.672 MB LDB: TIME 12122.4 LOAD: AVG 0.195222 MAX 0.212417 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.871 MB LDB: TIME 12122.4 LOAD: AVG 0.195222 MAX 0.212417 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.871 MB LDB: ============== END OF LOAD BALANCING =============== 12122.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12122.4 PRESSURE: 3876400 57.0395 -153.463 304.944 -153.463 26.0804 174.127 304.945 174.126 160.759 GPRESSURE: 3876400 128.218 -63.8374 224.156 -63.02 65.2893 172.559 266.513 192.525 148.188 PRESSAVG: 3876400 -36.0265 -33.1613 6.86416 -33.1613 28.0601 -3.49407 6.86415 -3.49402 15.0035 GPRESSAVG: 3876400 -35.1374 -32.2703 8.53091 -33.1168 28.6398 -1.21797 2.37018 -1.62842 13.2286 TIMING: 3876400 CPU: 12110.2, 0.00317059/step Wall: 12110.2, 0.00317059/step, 0.989575 hours remaining, 234.261719 MB of memory in use. ENERGY: 3876400 3904.0821 20694.0232 14406.2278 242.9030 -203199.6789 2696.6562 0.0000 0.0000 52274.3807 -108981.4059 300.4216 -161255.7865 -108619.3103 299.9128 81.2928 113.8984 763316.3583 2.3457 2.2437 PRESSURE: 3876600 -208.674 -120.654 -175.685 -120.655 -480.864 69.8296 -175.685 69.8287 -271.778 GPRESSURE: 3876600 -230.039 -149.044 -163.256 -166.06 -392.687 -20.2653 -139.301 105.788 -256.036 PRESSAVG: 3876600 15.6707 12.9696 6.19912 12.9696 10.0592 19.9883 6.19908 19.9883 -9.77969 GPRESSAVG: 3876600 14.1189 12.2057 4.84599 13.1816 10.8084 18.0274 9.89757 18.9226 -9.12517 TIMING: 3876600 CPU: 12110.9, 0.00309865/step Wall: 12110.9, 0.00309865/step, 0.966952 hours remaining, 234.726562 MB of memory in use. ENERGY: 3876600 4038.7822 20529.2773 14468.5492 242.4049 -203290.1693 2763.7861 0.0000 0.0000 52072.4232 -109174.9465 299.2609 -161247.3696 -108814.3133 299.6386 -320.4386 -292.9210 763198.1026 5.3167 5.2674 PRESSURE: 3876800 57.3109 -133.994 67.2917 -133.993 -119.806 164.115 67.2918 164.115 -212.809 GPRESSURE: 3876800 97.4934 -59.8719 48.1195 -14.4896 -72.2685 164.923 129.396 143.363 -218.587 PRESSAVG: 3876800 -19.2169 -14.1105 -6.38315 -14.1106 25.0667 26.3265 -6.38316 26.3266 1.93427 GPRESSAVG: 3876800 -18.1821 -11.6287 -5.00663 -14.3743 24.7098 27.4052 -8.27575 25.7722 1.62933 TIMING: 3876800 CPU: 12111.5, 0.00310863/step Wall: 12111.5, 0.00310863/step, 0.969894 hours remaining, 234.792969 MB of memory in use. ENERGY: 3876800 3882.4081 20495.1986 14448.9774 242.2078 -203285.2174 2688.3529 0.0000 0.0000 52046.0879 -109481.9847 299.1096 -161528.0726 -109113.1952 299.2016 -91.7680 -64.4541 763022.8520 2.5947 2.7190 PRESSURE: 3877000 29.2858 250.199 100.854 250.199 352.025 -77.2672 100.854 -77.2675 -247.71 GPRESSURE: 3877000 48.2963 154.638 2.22243 203.109 364.601 -69.6385 79.575 39.819 -193.279 PRESSAVG: 3877000 -51.3009 -38.6426 -34.0964 -38.6425 13.3948 21.6754 -34.0964 21.6753 30.6185 GPRESSAVG: 3877000 -52.027 -40.1095 -33.9433 -39.0319 13.3401 20.5704 -33.4573 22.3861 31.4719 TIMING: 3877000 CPU: 12112.1, 0.0031046/step Wall: 12112.1, 0.0031046/step, 0.968463 hours remaining, 234.792969 MB of memory in use. ENERGY: 3877000 3914.4024 20511.5017 14428.4504 251.1413 -203276.8676 2832.1937 0.0000 0.0000 51865.3873 -109473.7907 298.0711 -161339.1780 -109112.1621 298.7085 44.5337 73.2063 762942.6922 -2.4292 -2.4050 PRESSURE: 3877200 106.233 -161.54 138.099 -161.539 47.2796 -153.63 138.099 -153.63 -22.5301 GPRESSURE: 3877200 123.631 -108.756 172.9 -79.6326 90.3234 -156.893 170.249 -181.883 -1.01933 PRESSAVG: 3877200 15.4819 -66.0102 8.57685 -66.0101 8.02546 7.11663 8.57685 7.11663 -8.50474 GPRESSAVG: 3877200 15.123 -67.8314 6.54066 -66.2675 7.66304 9.20029 9.02356 5.66211 -8.45708 TIMING: 3877200 CPU: 12112.7, 0.00310056/step Wall: 12112.7, 0.00310056/step, 0.96703 hours remaining, 234.792969 MB of memory in use. ENERGY: 3877200 3952.3312 20346.8669 14482.7361 250.4447 -203464.4753 2871.0506 0.0000 0.0000 52035.4869 -109525.5589 299.0487 -161561.0458 -109160.2023 298.2955 43.6609 70.9783 761896.3468 5.0009 4.7763 PRESSURE: 3877400 173.713 -53.6741 141.807 -53.6741 -132.888 94.8935 141.808 94.8933 269.654 GPRESSURE: 3877400 125.876 7.34183 119.821 60.7941 26.4356 50.4361 41.1804 73.6698 238.494 PRESSAVG: 3877400 41.181 22.8605 23.3379 22.8605 -8.80817 47.5437 23.3378 47.5436 29.3345 GPRESSAVG: 3877400 41.3647 25.6679 23.1731 23.904 -8.62347 45.6661 21.3306 48.7515 29.178 TIMING: 3877400 CPU: 12113.4, 0.00309395/step Wall: 12113.4, 0.00309395/step, 0.964795 hours remaining, 234.792969 MB of memory in use. ENERGY: 3877400 3965.8944 20494.1099 14426.7634 245.6241 -203329.7952 2618.1918 0.0000 0.0000 51950.1611 -109629.0506 298.5583 -161579.2116 -109269.0729 298.6617 103.4929 130.2683 762508.0081 20.5691 20.6398 PRESSURE: 3877600 -317.988 50.5063 -108.91 50.5065 70.3014 53.8383 -108.911 53.8388 -39.1199 GPRESSURE: 3877600 -233.384 33.8873 -77.753 70.6412 91.2244 46.687 -189.54 -17.6043 -68.7847 PRESSAVG: 3877600 -16.0509 21.9483 85.6038 21.9483 58.8606 14.0996 85.6038 14.0996 14.0251 GPRESSAVG: 3877600 -16.0525 21.8491 84.9645 21.6846 59.7327 16.4477 87.8319 12.3062 13.169 TIMING: 3877600 CPU: 12114, 0.00311195/step Wall: 12114, 0.00311195/step, 0.970236 hours remaining, 234.792969 MB of memory in use. ENERGY: 3877600 3982.8630 20471.7556 14448.1726 249.1965 -203186.1993 2627.5244 0.0000 0.0000 51796.8706 -109609.8166 297.6773 -161406.6872 -109243.5238 297.6847 -95.6022 -70.3146 762187.6548 18.9449 18.9498 PRESSURE: 3877800 -53.0339 186.87 -14.6945 186.87 12.0717 79.5797 -14.6951 79.579 214.548 GPRESSURE: 3877800 74.3121 83.298 64.9101 359.593 36.0289 66.6187 -41.0005 242.618 152.758 PRESSAVG: 3877800 -66.8699 69.5912 38.9167 69.5912 43.3022 -12.0345 38.9166 -12.0346 3.38186 GPRESSAVG: 3877800 -66.8537 69.6255 41.4351 70.5902 42.9809 -15.5902 37.592 -9.14726 3.70143 TIMING: 3877800 CPU: 12114.6, 0.00311876/step Wall: 12114.6, 0.00311876/step, 0.972186 hours remaining, 234.792969 MB of memory in use. ENERGY: 3877800 3953.7426 20472.0714 14460.4027 257.4940 -203352.5045 2613.1118 0.0000 0.0000 52166.8570 -109428.8249 299.8036 -161595.6819 -109062.4518 298.5428 57.8620 87.6997 761686.4856 -6.7286 -6.7238 PRESSURE: 3878000 145.735 34.4724 -179.866 34.4721 181.82 56.874 -179.866 56.8747 235.605 GPRESSURE: 3878000 163.851 115.636 -238.643 17.381 200.842 4.58641 -132.894 72.2601 274.391 PRESSAVG: 3878000 1.64943 42.6032 -19.0918 42.6032 7.57026 20.3196 -19.0918 20.3196 4.76899 GPRESSAVG: 3878000 1.65737 43.1346 -20.1608 38.8324 7.42864 21.5904 -18.0794 21.4879 4.43377 TIMING: 3878000 CPU: 12115.2, 0.00312347/step Wall: 12115.2, 0.00312347/step, 0.97348 hours remaining, 234.792969 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: 3878000 3926.1361 20385.9020 14518.1397 256.5154 -203594.7185 2947.4809 0.0000 0.0000 52164.5482 -109395.9963 299.7904 -161560.5445 -109032.1809 298.9462 187.7202 213.0279 761223.4494 4.6629 4.5066 PRESSURE: 3878200 249.804 50.8206 -183.419 50.8211 -386.109 -64.5062 -183.419 -64.5055 -4.34661 GPRESSURE: 3878200 292.959 187.031 -94.64 77.5101 -351.781 -136.916 -54.5725 -61.3906 6.21015 PRESSAVG: 3878200 48.8448 15.1741 -42.313 15.1741 -48.2573 -7.9106 -42.313 -7.91043 -1.20108 GPRESSAVG: 3878200 49.5863 16.0497 -42.267 18.0236 -48.8743 -7.2215 -42.7195 -10.1601 -0.782627 TIMING: 3878200 CPU: 12115.8, 0.00310198/step Wall: 12115.8, 0.00310198/step, 0.966612 hours remaining, 234.792969 MB of memory in use. ENERGY: 3878200 4055.4884 20476.1312 14473.4562 259.8345 -203250.9544 2634.3955 0.0000 0.0000 52070.3531 -109281.2955 299.2490 -161351.6486 -108917.8580 299.1415 -46.8839 -17.5375 762769.6233 -0.2045 -0.0235 PRESSURE: 3878400 165.931 -25.9489 189.847 -25.9488 -1.39619 98.8247 189.847 98.826 0.272374 GPRESSURE: 3878400 130.27 -36.1241 172.462 107.598 -28.96 123.353 94.7716 46.3961 134.571 PRESSAVG: 3878400 23.1026 8.66837 -64.2072 8.6683 -39.7386 -18.6356 -64.2073 -18.6355 -30.5452 GPRESSAVG: 3878400 23.4863 4.27626 -63.2886 8.41926 -39.7477 -19.2019 -65.2473 -19.0296 -30.9486 TIMING: 3878400 CPU: 12116.5, 0.00312583/step Wall: 12116.5, 0.00312583/step, 0.973871 hours remaining, 234.792969 MB of memory in use. ENERGY: 3878400 3976.6200 20734.5999 14488.5590 237.1368 -203539.6920 2750.6097 0.0000 0.0000 52034.8655 -109317.3012 299.0451 -161352.1667 -108950.4396 299.0642 54.9359 78.6270 762298.6977 -15.7270 -15.7367 PRESSURE: 3878600 141.269 -82.4113 -36.9447 -82.4115 192.908 87.6417 -36.9442 87.6417 -118.384 GPRESSURE: 3878600 223.948 -77.382 -30.1529 -77.6875 192.701 78.5086 -142.87 127.33 -119.294 PRESSAVG: 3878600 10.4316 22.5832 -9.35575 22.5832 -26.6976 -29.4363 -9.35583 -29.4362 12.6234 GPRESSAVG: 3878600 9.19407 24.8506 -11.426 21.85 -24.913 -29.5383 -9.07163 -28.8649 12.0573 TIMING: 3878600 CPU: 12117.1, 0.00311355/step Wall: 12117.1, 0.00311355/step, 0.96987 hours remaining, 234.792969 MB of memory in use. ENERGY: 3878600 3999.8710 20547.6166 14508.7174 244.7014 -203415.4420 2815.4649 0.0000 0.0000 52056.7596 -109242.3110 299.1709 -161299.0706 -108876.6126 299.3402 71.9310 99.1184 762621.6821 -1.2142 -1.2205 PRESSURE: 3878800 94.1983 -57.5738 -21.6773 -57.5737 70.4808 94.429 -21.6772 94.4298 137.253 GPRESSURE: 3878800 77.982 12.5303 118.684 -125.806 101.62 60.6554 0.996056 85.0249 184.08 PRESSAVG: 3878800 38.0378 17.3787 -27.4813 17.3787 -35.1886 39.7687 -27.4813 39.7687 -5.37697 GPRESSAVG: 3878800 38.3173 16.988 -26.0495 18.0238 -35.891 39.6747 -28.3465 39.7676 -4.70879 TIMING: 3878800 CPU: 12117.7, 0.00311714/step Wall: 12117.7, 0.00311714/step, 0.970817 hours remaining, 234.792969 MB of memory in use. ENERGY: 3878800 3977.5263 20610.3451 14493.8743 234.7644 -203589.5744 2644.6374 0.0000 0.0000 52478.5918 -109149.8351 301.5952 -161628.4269 -108774.4134 299.5787 100.6440 121.2272 761632.7192 -0.8426 -0.7608 PRESSURE: 3879000 -333.857 209.961 -157.41 209.961 -231.804 -107.997 -157.41 -107.998 -473.42 GPRESSURE: 3879000 -263.801 134.543 -165.733 188.572 -277.329 -151.328 -69.8762 13.9393 -420.406 PRESSAVG: 3879000 23.9173 -16.4387 23.5889 -16.4388 -11.9915 -15.4766 23.589 -15.4767 6.83894 GPRESSAVG: 3879000 23.8207 -13.9961 22.7233 -16.9206 -12.0458 -15.156 23.9662 -14.618 7.50171 TIMING: 3879000 CPU: 12118.3, 0.00310995/step Wall: 12118.3, 0.00310995/step, 0.968403 hours remaining, 234.792969 MB of memory in use. ENERGY: 3879000 4065.9893 20629.6664 14474.1322 271.3702 -203506.6051 2660.6614 0.0000 0.0000 52253.4945 -109151.2911 300.3016 -161404.7856 -108800.2004 299.8175 -346.3602 -320.5121 761784.0657 6.2549 6.4255 PRESSURE: 3879200 -86.1865 42.8212 100.18 42.8213 137.123 -70.141 100.18 -70.1409 133.266 GPRESSURE: 3879200 12.2673 31.3157 59.9778 40.9835 78.5807 -25.6757 266.783 27.6627 180.121 PRESSAVG: 3879200 70.9198 -54.1337 -17.1813 -54.1337 -29.952 -37.9601 -17.1813 -37.9601 -17.6657 GPRESSAVG: 3879200 72.1924 -55.4345 -18.4084 -52.4467 -30.0414 -36.2259 -16.0045 -40.0048 -18.8567 TIMING: 3879200 CPU: 12119, 0.00311201/step Wall: 12119, 0.00311201/step, 0.968872 hours remaining, 234.792969 MB of memory in use. ENERGY: 3879200 3954.6131 20763.7148 14430.2086 263.1233 -203483.1834 2736.3178 0.0000 0.0000 52177.7189 -109157.4870 299.8661 -161335.2059 -108783.4204 300.0475 61.4009 90.3229 761162.4970 7.7674 7.7647 PRESSURE: 3879400 15.595 9.75589 -1.64403 9.75527 -247.107 -144.854 -1.64449 -144.853 255.032 GPRESSURE: 3879400 51.2604 -58.2818 95.2751 -99.2218 -166.223 -237.771 -81.1137 -165.137 236.157 PRESSAVG: 3879400 16.3186 -55.983 -37.1856 -55.983 -34.4351 -27.7153 -37.1855 -27.7154 -27.7612 GPRESSAVG: 3879400 15.307 -56.7114 -35.7221 -58.0627 -33.9954 -29.5227 -38.7456 -26.1901 -26.7703 TIMING: 3879400 CPU: 12119.6, 0.00311419/step Wall: 12119.6, 0.00311419/step, 0.969378 hours remaining, 234.792969 MB of memory in use. ENERGY: 3879400 4021.0471 20433.8622 14471.8551 261.0091 -203616.1386 3031.7258 0.0000 0.0000 52149.4247 -109247.2147 299.7035 -161396.6394 -108877.0081 299.9882 7.8400 40.3981 760397.2079 -15.2925 -15.1529 PRESSURE: 3879600 75.6815 222.901 175.8 222.901 13.1233 -118.883 175.8 -118.882 -126.565 GPRESSURE: 3879600 -5.6897 223.138 120.413 165.578 88.0936 -68.7826 300.949 16.0587 -35.4373 PRESSAVG: 3879600 -44.6153 -21.7775 54.8089 -21.7776 27.8689 -37.7971 54.8089 -37.7971 -11.5235 GPRESSAVG: 3879600 -43.8246 -21.3572 55.8025 -19.6716 27.7446 -36.372 54.0582 -40.5576 -12.4592 TIMING: 3879600 CPU: 12120.2, 0.00309426/step Wall: 12120.2, 0.00309426/step, 0.963003 hours remaining, 234.792969 MB of memory in use. ENERGY: 3879600 3982.6243 20645.5211 14415.4187 248.4619 -203101.1956 2549.7023 0.0000 0.0000 52087.1977 -109172.2695 299.3458 -161259.4672 -108806.5569 299.7993 -12.5867 15.6556 762369.5605 -9.4233 -9.5130 PRESSURE: 3879800 -465.39 63.5946 25.9646 63.5944 207.376 -68.3598 25.9645 -68.3609 -281.022 GPRESSURE: 3879800 -389.506 32.0151 -13.2205 19.0635 213.199 -124.587 -0.676982 12.8918 -272.124 PRESSAVG: 3879800 0.425076 11.4199 45.716 11.4198 6.02027 -14.3864 45.716 -14.3864 -2.55084 GPRESSAVG: 3879800 0.519105 10.8457 42.9705 8.8316 5.9004 -14.9681 49.363 -12.36 -2.69607 TIMING: 3879800 CPU: 12120.8, 0.00310692/step Wall: 12120.8, 0.00310692/step, 0.966771 hours remaining, 234.792969 MB of memory in use. ENERGY: 3879800 3984.4526 20591.5717 14404.4615 258.2851 -202953.8258 2379.2194 0.0000 0.0000 52131.9314 -109203.9041 299.6029 -161335.8355 -108837.4666 299.6422 -179.6785 -149.4770 762836.8482 1.2982 1.2411 PRESSURE: 3880000 -91.1665 69.9857 86.7266 69.9848 231.979 -92.249 86.7261 -92.2477 323.422 GPRESSURE: 3880000 -31.2014 119.315 147.184 15.4338 144.813 -37.9463 120.206 -109.716 433.227 PRESSAVG: 3880000 -89.6972 3.0875 62.8583 3.08746 77.5368 7.71693 62.8583 7.71696 -5.13162 GPRESSAVG: 3880000 -90.2255 3.50529 64.8562 5.14645 77.8601 8.63266 60.5829 8.39733 -4.73412 TIMING: 3880000 CPU: 12121.4, 0.00311507/step Wall: 12121.4, 0.00311507/step, 0.969132 hours remaining, 234.792969 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: 3880000 3977.2370 20643.6920 14480.1920 248.1017 -203372.2693 2626.6908 0.0000 0.0000 52213.5406 -109182.8151 300.0719 -161396.3557 -108819.7946 299.6583 154.7449 182.2796 762124.6702 -5.7640 -5.6999 PRESSURE: 3880200 -178.038 -214.498 -34.1715 -214.498 113.235 166.007 -34.1707 166.007 53.5313 GPRESSURE: 3880200 -73.9362 -246.079 -86.7753 -92.173 137.19 201.361 13.1433 161.361 37.7128 PRESSAVG: 3880200 -20.7754 21.784 38.3107 21.784 4.45398 47.2995 38.3108 47.2996 19.8368 GPRESSAVG: 3880200 -20.5387 21.9043 38.4431 20.853 3.41713 46.5172 38.613 45.6374 20.375 TIMING: 3880200 CPU: 12122.1, 0.00313107/step Wall: 12122.1, 0.00313107/step, 0.973937 hours remaining, 234.792969 MB of memory in use. ENERGY: 3880200 4078.5513 20664.0117 14551.8130 247.6356 -203559.7957 2743.1858 0.0000 0.0000 52025.2837 -109249.3147 298.9900 -161274.5983 -108896.4337 299.7535 -3.7573 33.6555 760623.6071 1.1718 1.0845 LDB: ============= START OF LOAD BALANCING ============== 12134.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12134.5 LDB: =============== DONE WITH MIGRATION ================ 12134.6 LDB: ============= START OF LOAD BALANCING ============== 12134.9 LDB: Largest compute 6973 load 0.029868 is 15.3% of average load 0.195300 LDB: Average compute 0.004372 is 2.2% of average load 0.195300 LDB: TIME 12134.9 LOAD: AVG 0.1953 MAX 0.213944 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.613 MB LDB: TIME 12134.9 LOAD: AVG 0.1953 MAX 0.213944 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.812 MB LDB: TIME 12134.9 LOAD: AVG 0.1953 MAX 0.213944 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.812 MB LDB: ============== END OF LOAD BALANCING =============== 12134.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12134.9 PRESSURE: 3880400 -368.81 166.143 -137.433 166.143 -335.413 -139.254 -137.434 -139.256 -180.894 GPRESSURE: 3880400 -236.692 62.1828 -125.644 124.173 -382.49 -69.5264 -116.158 68.39 -198.828 PRESSAVG: 3880400 51.0572 8.49592 -24.5639 8.49588 -34.9643 -55.2968 -24.5638 -55.2969 26.7338 GPRESSAVG: 3880400 51.8315 9.33288 -25.2721 7.14066 -35.3773 -53.7221 -23.986 -53.4814 26.1648 TIMING: 3880400 CPU: 12122.7, 0.00319003/step Wall: 12122.7, 0.00319003/step, 0.992101 hours remaining, 235.410156 MB of memory in use. ENERGY: 3880400 4006.6153 20517.1838 14490.8143 255.5787 -202872.9224 2353.7365 0.0000 0.0000 51861.9762 -109387.0176 298.0515 -161248.9938 -109010.0710 298.9223 -295.0392 -272.6699 762188.4237 14.2756 14.2063 PRESSURE: 3880600 -470.115 57.9808 47.5944 57.981 13.1843 332.182 47.5932 332.182 -54.3422 GPRESSURE: 3880600 -515.572 -60.9794 77.0081 19.5986 64.0701 340.975 138.92 200.035 8.23499 PRESSAVG: 3880600 -19.5123 -18.8992 30.4623 -18.8992 32.5562 -4.87881 30.4623 -4.87893 4.78201 GPRESSAVG: 3880600 -21.431 -20.0449 28.8489 -17.718 34.2682 -6.73463 31.1397 -6.65897 4.87607 TIMING: 3880600 CPU: 12123.3, 0.00312012/step Wall: 12123.3, 0.00312012/step, 0.970184 hours remaining, 235.671875 MB of memory in use. ENERGY: 3880600 3995.8455 20497.2900 14390.8338 248.3449 -202866.2083 2202.9205 0.0000 0.0000 52044.0500 -109486.9236 299.0979 -161530.9736 -109129.3578 299.1066 -170.4242 -147.7557 761079.2604 5.9420 5.9044 PRESSURE: 3880800 240.056 125.351 43.8699 125.35 -103.849 11.8645 43.8688 11.8645 -201.27 GPRESSURE: 3880800 163.551 93.6466 -12.3916 34.0944 43.2353 87.4385 171.669 51.8937 -184.199 PRESSAVG: 3880800 -80.2545 -17.875 -50.4459 -17.875 72.7042 54.8728 -50.4459 54.8728 15.9797 GPRESSAVG: 3880800 -79.7439 -15.541 -49.3171 -19.2911 73.0583 54.3724 -51.305 53.7372 15.2563 TIMING: 3880800 CPU: 12124, 0.00311869/step Wall: 12124, 0.00311869/step, 0.969565 hours remaining, 235.671875 MB of memory in use. ENERGY: 3880800 4083.5594 20493.8406 14408.9105 232.9870 -203409.5297 2576.2479 0.0000 0.0000 52191.2900 -109422.6944 299.9441 -161613.9844 -109045.4333 298.7511 -21.6874 7.5292 760446.6726 2.8098 2.8569 PRESSURE: 3881000 -81.3402 121.569 210.225 121.569 -311.974 219.252 210.226 219.254 -350.598 GPRESSURE: 3881000 45.3348 186.204 187.953 133.568 -419.178 139.014 180.222 162.152 -283.163 PRESSAVG: 3881000 93.2321 -22.9933 17.9162 -22.9933 -30.4686 -18.1123 17.9161 -18.1121 -3.31626 GPRESSAVG: 3881000 94.5179 -23.0359 19.3295 -21.6329 -33.388 -18.2225 18.9802 -16.2804 -1.72616 TIMING: 3881000 CPU: 12124.6, 0.00312635/step Wall: 12124.6, 0.00312635/step, 0.971773 hours remaining, 235.941406 MB of memory in use. ENERGY: 3881000 3973.9560 20664.5285 14461.9527 231.5207 -202881.0967 2198.8384 0.0000 0.0000 51827.1519 -109523.1486 297.8514 -161350.3005 -109165.3554 299.0714 -247.9708 -219.0024 760871.8918 19.8157 19.8012 PRESSURE: 3881200 -244.676 0.0388584 -96.276 0.0393951 -215.935 -168.091 -96.2765 -168.09 -140.911 GPRESSURE: 3881200 -138.001 94.7112 -54.6935 -39.3858 -239.259 -195.896 -125.842 -37.5103 -130.486 PRESSAVG: 3881200 8.86593 5.37492 -3.04113 5.37493 -14.834 6.49046 -3.04113 6.49043 6.71 GPRESSAVG: 3881200 7.95869 4.50656 -3.49966 5.40113 -12.833 6.41253 -4.42861 6.05826 5.71435 TIMING: 3881200 CPU: 12125.2, 0.00312943/step Wall: 12125.2, 0.00312943/step, 0.972557 hours remaining, 235.941406 MB of memory in use. ENERGY: 3881200 3956.8682 20555.3253 14470.9111 241.3474 -202937.3382 2550.9249 0.0000 0.0000 51928.7797 -109233.1815 298.4354 -161161.9612 -108885.8914 298.9585 -200.5075 -169.2485 761772.5975 0.2473 0.2800 PRESSURE: 3881400 11.9977 -34.7578 -25.9124 -34.7576 -4.46629 -28.3402 -25.9131 -28.3398 323.39 GPRESSURE: 3881400 60.8888 -171.405 -131.081 -71.6289 -5.87713 15.7686 -91.7998 10.1678 352.507 PRESSAVG: 3881400 12.5764 -18.1119 -30.6453 -18.112 -34.1395 -77.0513 -30.6454 -77.0514 -8.37196 GPRESSAVG: 3881400 12.8436 -17.4864 -32.9846 -19.0253 -35.0483 -76.8812 -30.4144 -76.4741 -7.71261 TIMING: 3881400 CPU: 12125.8, 0.00313613/step Wall: 12125.8, 0.00313613/step, 0.974465 hours remaining, 235.941406 MB of memory in use. ENERGY: 3881400 3989.7859 20726.5273 14354.0029 246.9744 -203135.0952 2776.4787 0.0000 0.0000 52072.1835 -108969.1425 299.2596 -161041.3260 -108613.6746 299.6737 110.3071 135.8396 762378.2610 -9.9784 -9.9725 PRESSURE: 3881600 -56.8766 -150.991 -69.364 -150.991 0.715311 -172.252 -69.3644 -172.252 117.421 GPRESSURE: 3881600 -72.3699 -218.282 -94.3287 -73.2332 80.9608 -120.237 5.44531 -163.812 136.628 PRESSAVG: 3881600 -9.31851 1.71621 -71.8214 1.71619 -11.7982 -40.3534 -71.8215 -40.3534 -12.7246 GPRESSAVG: 3881600 -8.81298 1.43037 -69.3011 2.39214 -11.1772 -39.8793 -72.9198 -40.862 -13.3288 TIMING: 3881600 CPU: 12126.5, 0.00310479/step Wall: 12126.5, 0.00310479/step, 0.964556 hours remaining, 235.941406 MB of memory in use. ENERGY: 3881600 3981.4148 20586.7568 14499.9545 258.6118 -203056.3184 2716.8898 0.0000 0.0000 52095.8013 -108916.8894 299.3953 -161012.6907 -108558.6863 299.9131 20.4201 48.4064 763112.7824 -11.2804 -11.1063 PRESSURE: 3881800 438.63 142.642 -94.2344 142.641 -1.23156 -204.343 -94.2348 -204.342 412.171 GPRESSURE: 3881800 418.048 156.958 -39.9679 76.618 121.161 -150.673 -37.1664 -155.834 393.395 PRESSAVG: 3881800 -0.952323 -78.2569 -85.4965 -78.2569 51.0606 -21.4312 -85.4965 -21.4311 5.05074 GPRESSAVG: 3881800 -1.10414 -78.5292 -85.5867 -77.9146 50.8269 -22.5626 -85.9018 -19.8635 5.5652 TIMING: 3881800 CPU: 12127.1, 0.00312009/step Wall: 12127.1, 0.00312009/step, 0.969136 hours remaining, 235.941406 MB of memory in use. ENERGY: 3881800 3943.4645 20703.2011 14513.1299 251.3604 -203465.6635 2817.5455 0.0000 0.0000 52188.2891 -109048.6730 299.9268 -161236.9621 -108682.4758 299.5441 283.1898 310.8678 761276.5184 18.3863 18.4293 PRESSURE: 3882000 -28.3696 -199.561 150.509 -199.56 32.4257 32.0103 150.509 32.0093 -138.982 GPRESSURE: 3882000 22.2244 -261.246 190.94 -169.296 15.7776 89.296 115.406 126.491 -79.5787 PRESSAVG: 3882000 49.8677 -0.125299 -55.6674 -0.125327 -11.6374 28.4851 -55.6675 28.485 9.13995 GPRESSAVG: 3882000 49.8633 0.280331 -55.8428 -3.1296 -12.0802 28.7733 -53.231 29.5227 9.99656 TIMING: 3882000 CPU: 12127.7, 0.00313064/step Wall: 12127.7, 0.00313064/step, 0.972238 hours remaining, 235.941406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3882000 4070.7568 20518.6526 14463.6573 256.7072 -203037.2260 2511.1974 0.0000 0.0000 52330.7058 -108885.5489 300.7453 -161216.2547 -108519.0014 299.6997 -44.9755 -13.8589 762339.6570 15.7901 15.9265 PRESSURE: 3882200 -256.779 91.1602 -65.5267 91.1604 -99.9664 -240.62 -65.5263 -240.621 -405.829 GPRESSURE: 3882200 -128.764 57.5728 -122.199 66.928 -116.911 -158.984 25.3262 -303.935 -423.289 PRESSAVG: 3882200 62.9428 13.8465 15.8816 13.8464 -52.7798 -51.7247 15.8817 -51.7247 15.0548 GPRESSAVG: 3882200 64.5152 12.6673 14.9373 16.0548 -51.579 -50.6449 14.8313 -53.6545 12.2469 TIMING: 3882200 CPU: 12128.3, 0.00313711/step Wall: 12128.3, 0.00313711/step, 0.974074 hours remaining, 235.941406 MB of memory in use. ENERGY: 3882200 3992.6660 20456.1730 14467.5477 253.6144 -202353.4510 2057.1308 0.0000 0.0000 52236.8620 -108889.4572 300.2060 -161126.3192 -108513.7032 299.6009 -254.1914 -222.9879 763593.2147 8.4059 8.3943 PRESSURE: 3882400 -283.667 -51.3491 -31.2221 -51.3496 -104.606 19.7249 -31.2218 19.7241 408.832 GPRESSURE: 3882400 -299.097 -87.9742 40.6582 -93.4427 -48.8834 25.016 -3.57521 -15.9519 442.655 PRESSAVG: 3882400 12.4284 14.7926 -56.9298 14.7926 9.1238 -8.89205 -56.9298 -8.89197 7.79956 GPRESSAVG: 3882400 11.7182 14.1658 -56.2863 15.513 9.29901 -8.45987 -58.4378 -6.69792 8.23541 TIMING: 3882400 CPU: 12129, 0.00313565/step Wall: 12129, 0.00313565/step, 0.973445 hours remaining, 235.941406 MB of memory in use. ENERGY: 3882400 3950.2890 20625.1927 14469.1163 253.5412 -203152.3671 2742.7610 0.0000 0.0000 52169.7478 -108941.7191 299.8203 -161111.4669 -108579.6822 300.0487 6.8527 31.5580 763480.7639 9.7839 9.7509 PRESSURE: 3882600 -258.658 -285.337 -77.6308 -285.337 -382.375 -14.3398 -77.6303 -14.3391 -338.666 GPRESSURE: 3882600 -222.478 -350.011 -44.538 -309.591 -337.688 12.1711 -116.262 -49.4901 -335.411 PRESSAVG: 3882600 -60.6373 -10.4398 19.2294 -10.4398 28.5823 -12.056 19.2294 -12.056 9.06143 GPRESSAVG: 3882600 -60.2548 -10.1095 19.9566 -10.0168 27.7648 -11.353 20.8051 -14.3474 9.34791 TIMING: 3882600 CPU: 12129.6, 0.003134/step Wall: 12129.6, 0.003134/step, 0.97276 hours remaining, 235.941406 MB of memory in use. ENERGY: 3882600 4042.4010 20562.5270 14447.1012 252.4478 -202357.2741 2041.7027 0.0000 0.0000 52155.5054 -108855.5890 299.7384 -161011.0944 -108485.9211 299.2867 -326.5663 -298.5256 763578.7682 -7.6645 -7.7140 PRESSURE: 3882800 -16.6135 64.6262 313.221 64.6267 114.457 156 313.221 156 251.777 GPRESSURE: 3882800 43.0548 88.3375 240.042 72.5407 161.537 217.732 383.42 154.021 247.996 PRESSAVG: 3882800 25.6751 3.03047 47.0505 3.03048 3.76624 30.2977 47.0505 30.2977 6.60465 GPRESSAVG: 3882800 26.0068 4.30447 46.8769 1.04654 3.39981 29.3005 45.3417 30.0119 6.87095 TIMING: 3882800 CPU: 12130.2, 0.0031208/step Wall: 12130.2, 0.0031208/step, 0.968487 hours remaining, 235.941406 MB of memory in use. ENERGY: 3882800 4018.5363 20737.2267 14435.9465 251.2099 -202975.9222 2566.5761 0.0000 0.0000 52098.6013 -108867.8253 299.4114 -160966.4266 -108501.8031 299.9617 116.5401 150.8626 762037.1716 12.0153 12.0925 PRESSURE: 3883000 132.499 13.5868 -171.996 13.5877 335.014 -338.046 -171.995 -338.046 51.493 GPRESSURE: 3883000 227.529 -81.1261 -159.436 124.867 394.945 -248.324 -86.4953 -238.87 -23.2889 PRESSAVG: 3883000 -18.0991 -11.4609 21.6465 -11.4609 29.1182 20.0282 21.6464 20.0282 4.82416 GPRESSAVG: 3883000 -19.4583 -10.2006 21.1248 -12.9253 30.6163 20.0136 25.9394 20.2298 4.59453 TIMING: 3883000 CPU: 12130.8, 0.00311882/step Wall: 12130.8, 0.00311882/step, 0.967701 hours remaining, 235.941406 MB of memory in use. ENERGY: 3883000 3942.3031 20443.8105 14454.3329 249.8263 -203119.9260 2932.2194 0.0000 0.0000 52170.0076 -108927.4262 299.8218 -161097.4338 -108559.5872 299.7406 173.0021 199.7285 762154.2460 5.2811 5.2509 PRESSURE: 3883200 233.38 -13.7268 -65.0793 -13.7274 -81.525 15.9244 -65.0797 15.9231 46.3826 GPRESSURE: 3883200 224.73 99.717 -43.2899 -137.63 -66.8289 82.0523 -63.888 -77.5725 107.454 PRESSAVG: 3883200 17.1973 18.9498 -66.8764 18.9498 1.67583 18.0722 -66.8764 18.0722 -8.74784 GPRESSAVG: 3883200 16.5285 15.5658 -68.5949 22.0044 1.59836 19.2844 -68.0829 16.1352 -8.50135 TIMING: 3883200 CPU: 12131.5, 0.00312119/step Wall: 12131.5, 0.00312119/step, 0.968263 hours remaining, 235.941406 MB of memory in use. ENERGY: 3883200 3895.3764 20566.0122 14453.6848 237.3124 -202815.8957 2396.8517 0.0000 0.0000 52272.6858 -108993.9724 300.4118 -161266.6582 -108627.1638 299.6554 66.0790 88.4516 761892.6623 3.3751 3.2085 PRESSURE: 3883400 -233.329 4.97119 -54.112 4.97064 -64.7045 29.5131 -54.112 29.5118 -258.606 GPRESSURE: 3883400 -124.24 -46.6258 -49.2636 55.8231 -98.0092 -3.95799 -14.7074 133.932 -246.434 PRESSAVG: 3883400 36.4768 27.0134 1.65763 27.0134 19.7219 55.9266 1.65758 55.9266 9.95255 GPRESSAVG: 3883400 38.7407 25.9523 2.97212 27.038 17.7755 55.4965 -0.93658 58.6804 9.88387 TIMING: 3883400 CPU: 12132.1, 0.00312405/step Wall: 12132.1, 0.00312405/step, 0.968978 hours remaining, 235.941406 MB of memory in use. ENERGY: 3883400 3985.0024 20725.9077 14407.0971 241.6610 -203461.2642 2794.7925 0.0000 0.0000 52165.1043 -109141.6992 299.7936 -161306.8035 -108788.8402 299.7536 -185.5468 -156.2278 762302.9044 22.0504 22.1334 PRESSURE: 3883600 179.919 -159.468 -178.197 -159.47 102.615 46.8154 -178.196 46.8152 119.98 GPRESSURE: 3883600 197.442 -58.4754 -213.284 -126.664 178.665 -13.1865 -164.398 60.3906 100.504 PRESSAVG: 3883600 -1.43994 -20.1481 -36.9175 -20.1483 8.67989 -38.647 -36.9175 -38.6469 -27.7774 GPRESSAVG: 3883600 -2.92661 -17.2718 -36.8954 -20.8004 10.5526 -38.9816 -33.9606 -40.6226 -28.8986 TIMING: 3883600 CPU: 12132.7, 0.00312148/step Wall: 12132.7, 0.00312148/step, 0.968007 hours remaining, 235.941406 MB of memory in use. ENERGY: 3883600 4009.6738 20515.7230 14379.7083 238.1546 -203256.8107 2832.8497 0.0000 0.0000 52002.4561 -109278.2452 298.8588 -161280.7013 -108915.9397 299.2867 134.1713 158.8706 761455.6153 -6.8458 -7.0909 PRESSURE: 3883800 -165.741 -75.9853 -66.6525 -75.9859 -374.633 73.241 -66.6518 73.241 71.3955 GPRESSURE: 3883800 -108.105 -123.638 -134.193 -104.567 -384.927 140.193 -71.0947 136.228 115.572 PRESSAVG: 3883800 -28.5611 -13.6881 -67.6365 -13.688 6.70993 87.7926 -67.6365 87.7926 -15.7745 GPRESSAVG: 3883800 -28.0702 -12.4087 -67.0723 -15.1765 5.65619 87.1092 -70.4323 88.5271 -15.5626 TIMING: 3883800 CPU: 12133.3, 0.00311391/step Wall: 12133.3, 0.00311391/step, 0.965485 hours remaining, 235.941406 MB of memory in use. ENERGY: 3883800 3956.2410 20765.1363 14416.9984 260.2033 -203093.0282 2679.6547 0.0000 0.0000 51919.9941 -109094.8005 298.3849 -161014.7946 -108727.3716 299.1497 -156.3259 -125.8201 763843.4289 -12.5419 -12.6588 PRESSURE: 3884000 -163.333 -90.9236 -241.154 -90.9233 243.441 53.9663 -241.156 53.965 -197.613 GPRESSURE: 3884000 -114.352 -96.7597 -253.552 5.34199 237.974 51.7914 -193.515 83.3557 -150.469 PRESSAVG: 3884000 -21.6389 -24.1939 -71.1488 -24.194 -4.22118 16.7454 -71.1488 16.7454 -40.467 GPRESSAVG: 3884000 -21.4234 -26.7235 -72.1099 -22.8122 -5.09564 16.8113 -69.151 19.7326 -40.4659 TIMING: 3884000 CPU: 12134, 0.00313873/step Wall: 12134, 0.00313873/step, 0.973007 hours remaining, 235.941406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3884000 4022.3587 20374.5705 14400.7855 273.0852 -202950.1200 2511.6488 0.0000 0.0000 52103.5913 -109264.0799 299.4401 -161367.6713 -108896.3377 299.0693 -39.1683 -8.9489 763541.5726 -22.1090 -22.3283 PRESSURE: 3884200 132.185 -102.394 -84.0771 -102.395 67.5662 -148.864 -84.0776 -148.864 -199.874 GPRESSURE: 3884200 252.726 -17.7289 -211.543 -54.6006 116.131 -227.142 -72.2454 -52.0765 -262.975 PRESSAVG: 3884200 -1.70824 -5.50284 -59.0447 -5.5029 3.77012 -35.5766 -59.0448 -35.5766 13.7666 GPRESSAVG: 3884200 -2.90327 -3.20591 -58.9267 -6.57025 4.21619 -35.5771 -60.3877 -37.8649 13.6217 TIMING: 3884200 CPU: 12134.6, 0.00313647/step Wall: 12134.6, 0.00313647/step, 0.972131 hours remaining, 235.941406 MB of memory in use. ENERGY: 3884200 3997.7535 20502.0842 14421.9824 265.2742 -203178.2950 2764.4509 0.0000 0.0000 51886.2585 -109340.4913 298.1910 -161226.7499 -108977.6403 298.8329 -0.0411 35.2935 763274.2904 5.2762 4.9782 LDB: ============= START OF LOAD BALANCING ============== 12147.1 LDB: ============== END OF LOAD BALANCING =============== 12147.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12147.1 LDB: ============= START OF LOAD BALANCING ============== 12147.4 LDB: Largest compute 7063 load 0.028570 is 14.6% of average load 0.195199 LDB: Average compute 0.004385 is 2.2% of average load 0.195199 LDB: TIME 12147.4 LOAD: AVG 0.195199 MAX 0.213844 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.184 MB LDB: TIME 12147.4 LOAD: AVG 0.195199 MAX 0.213844 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.188 MB LDB: TIME 12147.4 LOAD: AVG 0.195199 MAX 0.213844 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.188 MB LDB: ============== END OF LOAD BALANCING =============== 12147.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12147.4 PRESSURE: 3884400 54.624 -63.0646 211.827 -63.0651 287.243 -124.719 211.826 -124.719 -15.9188 GPRESSURE: 3884400 149.053 -48.8661 200.76 49.5102 335.513 -171.582 171.177 -74.7277 -59.3594 PRESSAVG: 3884400 47.0394 -28.6362 -17.2794 -28.6362 -17.1067 -11.6149 -17.2794 -11.6149 -10.8939 GPRESSAVG: 3884400 46.6882 -28.802 -16.5669 -28.4974 -17.1973 -11.7679 -18.8459 -12.1583 -10.3231 TIMING: 3884400 CPU: 12135.2, 0.00321001/step Wall: 12135.2, 0.00321001/step, 0.994748 hours remaining, 233.605469 MB of memory in use. ENERGY: 3884400 3980.7492 20606.7292 14479.7879 246.2118 -203449.0334 2918.8255 0.0000 0.0000 51982.9106 -109233.8193 298.7465 -161216.7300 -108881.4340 298.6231 108.6494 141.7355 762430.7595 6.3463 6.3893 PRESSURE: 3884600 133.206 -39.4738 -354.731 -39.4727 -167.189 159.695 -354.73 159.694 134.499 GPRESSURE: 3884600 124.137 76.0644 -316.76 -44.6915 -136.473 172.299 -332.639 150.808 173.758 PRESSAVG: 3884600 42.2675 6.25041 -23.1917 6.25045 -67.8473 14.2101 -23.1916 14.2101 -4.75711 GPRESSAVG: 3884600 42.5543 5.80757 -24.2823 6.72957 -68.0502 15.8779 -18.9821 14.3128 -5.55161 TIMING: 3884600 CPU: 12135.9, 0.0031485/step Wall: 12135.9, 0.0031485/step, 0.975511 hours remaining, 233.605469 MB of memory in use. ENERGY: 3884600 3984.2895 20675.6780 14533.8308 250.2426 -203058.3956 2644.9629 0.0000 0.0000 51885.5885 -109083.8033 298.1872 -160969.3917 -108728.6786 299.0324 33.5051 53.8074 762622.0942 -10.1123 -10.3492 PRESSURE: 3884800 27.0471 154.648 146.475 154.648 -30.3855 -140.653 146.475 -140.652 -305.127 GPRESSURE: 3884800 74.3106 97.6181 139.704 126.98 17.5944 -45.067 108.355 -172.73 -288.925 PRESSAVG: 3884800 -16.4232 25.03 -67.9232 25.03 -26.8744 -3.40706 -67.9232 -3.40709 0.221048 GPRESSAVG: 3884800 -15.5697 22.7436 -67.2565 25.879 -26.5821 -4.44107 -69.0161 -3.20371 -0.221441 TIMING: 3884800 CPU: 12136.5, 0.00311166/step Wall: 12136.5, 0.00311166/step, 0.963922 hours remaining, 233.664062 MB of memory in use. ENERGY: 3884800 3966.6392 20429.9945 14426.0933 250.1156 -203418.1095 2968.1779 0.0000 0.0000 52310.9187 -109066.1703 300.6316 -161377.0890 -108695.4885 299.3220 -102.8218 -65.6735 763604.9027 -14.3589 -14.1244 PRESSURE: 3885000 -0.638182 -109.601 101.243 -109.601 -252.984 189.034 101.243 189.033 155.433 GPRESSURE: 3885000 57.3031 -129.982 114.695 -69.8615 -205.62 219.785 155.733 88.3622 130.815 PRESSAVG: 3885000 -6.41373 -13.7238 -30.18 -13.7238 10.8666 -5.57548 -30.1801 -5.57544 -11.0985 GPRESSAVG: 3885000 -6.12821 -9.37775 -29.9293 -17.3009 10.8999 -5.17698 -30.0264 -7.13552 -11.5949 TIMING: 3885000 CPU: 12137.1, 0.00313262/step Wall: 12137.1, 0.00313262/step, 0.970242 hours remaining, 233.730469 MB of memory in use. ENERGY: 3885000 3906.6667 20506.4329 14421.2165 247.7367 -202661.0953 2298.6718 0.0000 0.0000 52161.7532 -109118.6174 299.7743 -161280.3706 -108751.9885 299.6988 -32.7296 -5.8341 763387.8376 -2.2152 -2.2744 PRESSURE: 3885200 -148.209 -28.3479 -58.5294 -28.3479 267.138 -55.5084 -58.5298 -55.5098 -247.923 GPRESSURE: 3885200 -32.2766 -60.7679 -120.897 -88.9237 266.976 -117.425 -48.8919 29.9802 -280.316 PRESSAVG: 3885200 -2.48597 -1.67416 16.7293 -1.67413 33.6612 9.15289 16.7293 9.15274 18.8632 GPRESSAVG: 3885200 -3.27706 -5.00683 16.9916 -0.970802 34.4524 8.81491 15.4134 12.1307 19.0911 TIMING: 3885200 CPU: 12137.7, 0.00311566/step Wall: 12137.7, 0.00311566/step, 0.964816 hours remaining, 233.730469 MB of memory in use. ENERGY: 3885200 3892.4330 20562.6944 14536.0871 246.7749 -202967.1798 2432.1107 0.0000 0.0000 52049.2996 -109247.7800 299.1280 -161297.0796 -108878.7991 299.6698 -42.9982 -15.2058 761942.8842 16.6795 16.7555 PRESSURE: 3885400 -229.853 -181.566 -100.86 -181.567 -176.786 -130.746 -100.859 -130.745 -279.264 GPRESSURE: 3885400 -140.123 -196.7 -88.0099 -95.7101 -210.734 -111.462 25.3071 -146.198 -242.911 PRESSAVG: 3885400 10.6911 -5.58248 17.6442 -5.5825 46.2293 21.9657 17.6442 21.9657 -8.92423 GPRESSAVG: 3885400 12.5578 -6.39683 17.7555 -2.36553 44.3664 22.603 17.8652 19.6051 -8.77195 TIMING: 3885400 CPU: 12138.4, 0.00311304/step Wall: 12138.4, 0.00311304/step, 0.963832 hours remaining, 233.730469 MB of memory in use. ENERGY: 3885400 3972.1998 20562.8790 14478.8395 250.1373 -203270.1410 2635.1687 0.0000 0.0000 52258.1648 -109112.7518 300.3284 -161370.9166 -108762.3727 299.9865 -228.6344 -197.9226 762050.6106 15.9987 16.0508 PRESSURE: 3885600 -45.6035 84.7373 98.2054 84.7366 31.1426 -73.5605 98.2054 -73.5612 -234.11 GPRESSURE: 3885600 8.43147 41.0759 115.143 64.3987 115.345 -95.8115 140.302 -17.4082 -297.763 PRESSAVG: 3885600 -14.714 -23.0668 12.0958 -23.0668 -11.2148 -8.28725 12.0958 -8.28727 0.907866 GPRESSAVG: 3885600 -15.2553 -23.1199 10.9764 -25.1584 -10.1079 -8.63676 11.7646 -7.10778 0.696296 TIMING: 3885600 CPU: 12139, 0.00311333/step Wall: 12139, 0.00311333/step, 0.963749 hours remaining, 233.730469 MB of memory in use. ENERGY: 3885600 3973.8615 20611.4038 14510.6954 243.2033 -203195.3807 2584.8917 0.0000 0.0000 52354.3901 -108916.9349 300.8814 -161271.3249 -108550.2666 299.7088 -82.8570 -57.9957 762659.1748 -8.3403 -8.2223 PRESSURE: 3885800 89.4796 18.6554 130.955 18.655 -177.304 -164.072 130.956 -164.073 -196.341 GPRESSURE: 3885800 37.5119 96.648 146.351 -82.9836 -0.967539 -158.468 17.1864 -172.466 -240.47 PRESSAVG: 3885800 -32.605 4.91963 -35.3936 4.91964 47.891 -66.3842 -35.3936 -66.3842 22.2894 GPRESSAVG: 3885800 -32.5262 7.15767 -35.3948 2.73116 47.4678 -66.1539 -34.4804 -66.0601 22.6534 TIMING: 3885800 CPU: 12139.6, 0.00311843/step Wall: 12139.6, 0.00311843/step, 0.965154 hours remaining, 233.730469 MB of memory in use. ENERGY: 3885800 3979.4658 20564.7094 14542.9212 256.7248 -203315.9148 2870.0812 0.0000 0.0000 52231.8845 -108870.1279 300.1774 -161102.0125 -108505.5159 299.9461 -94.7215 -67.9754 764667.3305 12.5251 12.5317 PRESSURE: 3886000 -68.8982 113.197 -37.9258 113.196 141.691 107.595 -37.9258 107.594 495.141 GPRESSURE: 3886000 -112.524 158.415 -81.1639 76.677 227.883 89.3996 -3.67217 104.243 522.881 PRESSAVG: 3886000 4.18225 19.2602 -4.83758 19.2602 12.8961 -16.0808 -4.83762 -16.0808 -1.16848 GPRESSAVG: 3886000 4.18553 17.3229 -4.5379 24.1298 12.6577 -16.9539 -7.1102 -15.7583 -1.09768 TIMING: 3886000 CPU: 12140.2, 0.00311114/step Wall: 12140.2, 0.00311114/step, 0.962725 hours remaining, 233.730469 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: 3886000 3950.5902 20487.3736 14434.4176 252.5655 -203449.7524 3029.2885 0.0000 0.0000 52237.0899 -109058.4271 300.2073 -161295.5170 -108703.6516 300.1704 189.3111 212.7468 763837.6023 5.3033 5.2485 PRESSURE: 3886200 64.2113 -170.888 67.7655 -170.888 -123.652 197 67.7651 197 -27.126 GPRESSURE: 3886200 94.5272 -109.423 110.012 -197.975 -33.1071 187.82 39.339 230.411 -58.3137 PRESSAVG: 3886200 43.8179 39.7914 14.8176 39.7913 -29.6605 27.6274 14.8176 27.6274 -14.95 GPRESSAVG: 3886200 42.468 39.5162 15.2484 36.8141 -29.413 26.7293 15.8148 26.8816 -14.2555 TIMING: 3886200 CPU: 12140.8, 0.00312733/step Wall: 12140.8, 0.00312733/step, 0.96756 hours remaining, 233.730469 MB of memory in use. ENERGY: 3886200 4016.2512 20408.1778 14459.3215 244.2314 -202784.9842 2415.2450 0.0000 0.0000 52296.7127 -108945.0446 300.5499 -161241.7574 -108585.2386 299.7295 -28.8556 1.0355 764250.7899 -0.2642 -0.4002 PRESSURE: 3886400 -0.955952 74.6833 140.618 74.6831 173.826 -241.782 140.618 -241.781 -90.5747 GPRESSURE: 3886400 23.141 78.4774 120.199 69.5246 158.713 -212.736 71.3426 -130.353 -21.7464 PRESSAVG: 3886400 0.439264 8.26883 33.6665 8.26878 -28.1979 -19.0115 33.6666 -19.0115 9.40858 GPRESSAVG: 3886400 1.67207 8.32943 31.3506 9.63597 -28.9167 -18.2898 33.1789 -16.6799 8.49602 TIMING: 3886400 CPU: 12141.5, 0.003108/step Wall: 12141.5, 0.003108/step, 0.961409 hours remaining, 233.730469 MB of memory in use. ENERGY: 3886400 3896.9596 20548.8620 14489.4600 231.0067 -203552.8110 3084.7362 0.0000 0.0000 52053.4969 -109248.2895 299.1522 -161301.7865 -108887.9428 299.6199 27.4319 53.3693 764649.9701 -6.1167 -6.2496 PRESSURE: 3886600 144.157 168.751 34.8025 168.751 77.4547 -185.021 34.8024 -185.022 -308.967 GPRESSURE: 3886600 107.437 137.284 34.1277 114.881 109.494 -164.966 55.1657 -43.2592 -233.782 PRESSAVG: 3886600 16.5718 66.3175 -23.2739 66.3176 -6.77109 -21.5326 -23.2739 -21.5326 -14.0024 GPRESSAVG: 3886600 16.4046 67.5133 -21.568 65.7103 -5.90302 -21.6674 -23.3108 -22.0062 -14.9036 TIMING: 3886600 CPU: 12142.1, 0.00310726/step Wall: 12142.1, 0.00310726/step, 0.961006 hours remaining, 233.730469 MB of memory in use. ENERGY: 3886600 4063.0833 20477.1086 14445.6025 246.3292 -203460.0815 2891.2401 0.0000 0.0000 52140.3700 -109196.3477 299.6514 -161336.7177 -108832.6982 298.9206 -29.1186 -5.6172 762670.0180 -1.4005 -1.4673 PRESSURE: 3886800 -211.645 200.77 62.5389 200.77 -85.0825 -88.7334 62.5389 -88.733 -119.96 GPRESSURE: 3886800 -148.531 314.472 55.0315 158.361 -39.8743 -92.8067 147.126 -51.8667 -137.616 PRESSAVG: 3886800 -4.24907 -7.14276 -17.6254 -7.1428 4.16861 -5.53716 -17.6254 -5.53711 4.30856 GPRESSAVG: 3886800 -3.96711 -6.523 -18.6819 -8.55705 3.5071 -5.29603 -16.8702 -4.53877 4.62016 TIMING: 3886800 CPU: 12142.7, 0.00311316/step Wall: 12142.7, 0.00311316/step, 0.962658 hours remaining, 233.730469 MB of memory in use. ENERGY: 3886800 4035.5350 20540.1613 14480.1746 262.9198 -203165.2153 2711.9700 0.0000 0.0000 52003.6023 -109130.8522 298.8654 -161134.4545 -108778.2516 299.4714 -138.8956 -108.6738 762595.2542 1.4094 1.3867 PRESSURE: 3887000 -242.115 -179.885 122.391 -179.886 162.956 -27.0684 122.391 -27.068 117.616 GPRESSURE: 3887000 -243.766 -185.584 83.7446 -121.518 215.322 -42.0415 171.4 65.8582 150.864 PRESSAVG: 3887000 -2.90388 -0.536717 -8.17574 -0.536718 32.1906 -34.3319 -8.17569 -34.3319 26.4708 GPRESSAVG: 3887000 -3.35159 -2.94119 -6.40873 0.664369 31.1125 -35.4983 -7.7426 -34.4288 26.7082 TIMING: 3887000 CPU: 12143.3, 0.00311404/step Wall: 12143.3, 0.00311404/step, 0.962758 hours remaining, 233.730469 MB of memory in use. ENERGY: 3887000 3946.0676 20442.4758 14451.9154 252.7420 -203537.1564 2749.5750 0.0000 0.0000 52508.5286 -109185.8520 301.7672 -161694.3806 -108812.8824 299.0693 12.8191 40.8066 761513.4405 18.5858 18.1564 PRESSURE: 3887200 266.52 74.008 -86.4627 74.0083 27.7624 68.0071 -86.4629 68.0062 -346.832 GPRESSURE: 3887200 305.766 -39.5012 -36.3183 164.544 35.053 140.656 59.4052 9.15686 -307.981 PRESSAVG: 3887200 1.7169 1.76751 -21.9804 1.76744 -28.9913 -24.98 -21.9804 -24.9801 1.1026 GPRESSAVG: 3887200 1.36008 1.62704 -22.4158 1.53396 -28.3602 -23.5241 -21.6228 -24.5886 0.989036 TIMING: 3887200 CPU: 12144, 0.00310591/step Wall: 12144, 0.00310591/step, 0.960072 hours remaining, 233.730469 MB of memory in use. ENERGY: 3887200 4005.5778 20715.0249 14467.2407 241.8025 -203146.1822 2682.1934 0.0000 0.0000 51856.1526 -109178.1903 298.0180 -161034.3430 -108820.4715 299.2077 -17.5166 10.9460 763029.7503 -8.7239 -8.6704 PRESSURE: 3887400 75.7609 -8.6847 100.175 -8.68522 298.557 118.873 100.175 118.874 -154.069 GPRESSURE: 3887400 202.431 -30.0565 170.712 -176.772 263.219 85.8078 -71.1895 -11.5089 -190.765 PRESSAVG: 3887400 -24.9931 50.009 -11.2654 50.0091 38.4973 12.3962 -11.2654 12.3962 3.33237 GPRESSAVG: 3887400 -24.3466 50.0484 -11.6002 50.3359 37.7502 13.9827 -12.8406 9.56991 3.07286 TIMING: 3887400 CPU: 12144.6, 0.00312908/step Wall: 12144.6, 0.00312908/step, 0.967058 hours remaining, 233.730469 MB of memory in use. ENERGY: 3887400 3990.3168 20547.7650 14454.6652 245.0489 -203068.1137 2751.4134 0.0000 0.0000 51947.0289 -109131.8755 298.5403 -161078.9044 -108772.9996 299.4124 73.4165 91.6283 762632.5732 5.6122 5.4921 PRESSURE: 3887600 330.521 -47.0469 -98.2842 -47.0461 120.4 7.63602 -98.2844 7.63691 120.752 GPRESSURE: 3887600 348.887 107.826 -165.258 -38.9998 196.322 -53.5687 20.0136 -27.1636 113.82 PRESSAVG: 3887600 48.4211 26.5847 -40.2092 26.5847 -4.64891 -25.9648 -40.2093 -25.9648 -2.73861 GPRESSAVG: 3887600 47.5617 29.3681 -42.6601 26.6722 -5.02407 -27.7028 -37.0556 -24.4134 -2.45182 TIMING: 3887600 CPU: 12145.2, 0.00312175/step Wall: 12145.2, 0.00312175/step, 0.964621 hours remaining, 233.730469 MB of memory in use. ENERGY: 3887600 3910.5662 20563.2285 14473.6042 234.3192 -203443.0845 2895.0776 0.0000 0.0000 52186.2662 -109180.0227 299.9152 -161366.2888 -108816.8325 299.4442 190.5578 219.6762 762569.7478 13.6779 13.3619 PRESSURE: 3887800 61.2751 115.172 211.887 115.172 -151.627 -237.11 211.886 -237.111 173.74 GPRESSURE: 3887800 165.765 -9.74789 202.595 -5.90611 -74.2135 -239.836 156.064 -102.478 101.786 PRESSAVG: 3887800 25.3281 -25.8272 17.7089 -25.8272 -31.0838 42.7046 17.7089 42.7046 -1.73394 GPRESSAVG: 3887800 25.5431 -29.0737 19.4303 -25.9271 -30.2013 41.646 17.448 44.0114 -2.09942 TIMING: 3887800 CPU: 12145.8, 0.00310904/step Wall: 12145.8, 0.00310904/step, 0.960521 hours remaining, 233.730469 MB of memory in use. ENERGY: 3887800 4047.8856 20705.1718 14450.8637 239.4741 -203162.8555 2783.8631 0.0000 0.0000 51946.9656 -108988.6316 298.5399 -160935.5972 -108636.8309 300.0066 27.7959 64.4458 764153.9786 -2.4965 -2.2525 PRESSURE: 3888000 -139.214 -166.489 -122.191 -166.49 69.8475 -65.1582 -122.192 -65.1571 -7.98524 GPRESSURE: 3888000 11.4104 -151.495 -105.36 -184.061 -45.296 -9.16019 145.72 26.3992 58.4613 PRESSAVG: 3888000 38.4828 -6.9681 -10.6011 -6.96812 12.1662 -2.61543 -10.6011 -2.61545 12.0638 GPRESSAVG: 3888000 39.2879 -5.65001 -10.3942 -6.27662 11.504 -1.07991 -10.9091 -3.89287 11.9202 TIMING: 3888000 CPU: 12146.5, 0.00312275/step Wall: 12146.5, 0.00312275/step, 0.964582 hours remaining, 233.730469 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: 3888000 4083.0887 20581.0533 14448.7937 215.3590 -203530.5025 2909.5719 0.0000 0.0000 52376.2249 -108916.4109 301.0069 -161292.6358 -108554.3117 300.5204 -25.7838 8.1919 762656.7968 20.9043 20.9040 PRESSURE: 3888200 -258.052 -4.1111 194.531 -4.11097 47.2777 -16.446 194.53 -16.4467 68.7784 GPRESSURE: 3888200 -175.757 97.3123 171.092 -59.9538 105.41 -37.9217 104.508 15.9079 20.6587 PRESSAVG: 3888200 5.4559 -9.38734 28.363 -9.38737 41.8244 -38.2768 28.363 -38.2769 28.9915 GPRESSAVG: 3888200 4.91738 -7.95833 27.8508 -8.97414 41.8322 -39.6493 28.2668 -36.8467 29.6844 TIMING: 3888200 CPU: 12147.1, 0.00312127/step Wall: 12147.1, 0.00312127/step, 0.963954 hours remaining, 233.730469 MB of memory in use. ENERGY: 3888200 3998.9146 20648.7392 14468.8201 234.6448 -203293.3554 2850.4612 0.0000 0.0000 52199.5535 -108892.2219 299.9916 -161091.7755 -108520.2044 300.3402 -47.3319 -16.5627 763959.5951 25.4239 25.4780 LDB: ============= START OF LOAD BALANCING ============== 12159.6 LDB: ============== END OF LOAD BALANCING =============== 12159.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12159.6 LDB: ============= START OF LOAD BALANCING ============== 12159.9 LDB: Largest compute 7051 load 0.028357 is 14.5% of average load 0.195459 LDB: Average compute 0.004365 is 2.2% of average load 0.195459 LDB: TIME 12159.9 LOAD: AVG 0.195459 MAX 0.213555 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.547 MB LDB: TIME 12159.9 LOAD: AVG 0.195459 MAX 0.213555 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.547 MB LDB: TIME 12159.9 LOAD: AVG 0.195459 MAX 0.213555 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.547 MB LDB: ============== END OF LOAD BALANCING =============== 12159.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12159.9 PRESSURE: 3888400 -63.6817 -91.8592 280.909 -91.8593 200.703 57.0174 280.909 57.0163 239.717 GPRESSURE: 3888400 -5.2689 -45.6493 195.36 -18.7179 256.884 117.22 169.978 -104.109 208.768 PRESSAVG: 3888400 12.6087 -37.3616 31.0379 -37.3616 -1.30554 0.662909 31.0379 0.66288 4.78048 GPRESSAVG: 3888400 13.8017 -39.013 31.3377 -37.955 -1.10848 0.916381 29.3104 -0.527718 3.38036 TIMING: 3888400 CPU: 12147.7, 0.00318587/step Wall: 12147.7, 0.00318587/step, 0.983725 hours remaining, 236.242188 MB of memory in use. ENERGY: 3888400 3961.2439 20605.2896 14436.0049 249.9894 -203359.1688 2849.9181 0.0000 0.0000 52273.9007 -108982.8221 300.4188 -161256.7228 -108618.7591 300.0793 125.5791 153.4611 763304.0819 5.3612 5.3579 PRESSURE: 3888600 -343.492 12.5203 -292.962 12.519 -130.532 -150.167 -292.961 -150.168 59.5926 GPRESSURE: 3888600 -277.294 19.059 -318.103 32.4432 -96.0626 -243.307 -240.617 -67.8013 42.2231 PRESSAVG: 3888600 -11.1427 -41.9539 -41.7215 -41.954 3.53524 50.0921 -41.7216 50.0921 0.202785 GPRESSAVG: 3888600 -11.3524 -40.6461 -42.6782 -41.5317 3.6029 50.201 -41.0733 49.6023 0.870135 TIMING: 3888600 CPU: 12148.3, 0.00313024/step Wall: 12148.3, 0.00313024/step, 0.966374 hours remaining, 236.503906 MB of memory in use. ENERGY: 3888600 4009.0426 20774.7264 14486.1128 231.9491 -203115.9447 2606.0180 0.0000 0.0000 51948.9944 -109059.1013 298.5516 -161008.0957 -108690.3773 300.0630 -138.1439 -110.3779 763501.7243 -2.4682 -2.2931 PRESSURE: 3888800 306.717 124.249 174.101 124.248 104.886 76.5339 174.102 76.534 362.205 GPRESSURE: 3888800 266.213 89.4389 114.899 160.464 199.507 120.364 121.405 42.6282 398.508 PRESSAVG: 3888800 -18.9385 -23.6148 -4.49709 -23.6148 48.2014 49.4059 -4.4971 49.4059 -21.6264 GPRESSAVG: 3888800 -19.0628 -25.5278 -5.61897 -23.3378 48.1388 48.7769 -3.96965 48.8721 -21.2799 TIMING: 3888800 CPU: 12149, 0.00311311/step Wall: 12149, 0.00311312/step, 0.960915 hours remaining, 236.707031 MB of memory in use. ENERGY: 3888800 3940.5189 20471.0274 14442.3818 249.4888 -203341.1171 2889.3596 0.0000 0.0000 51887.1691 -109461.1716 298.1963 -161348.3407 -109106.7148 299.2301 257.9360 288.0760 761550.4941 2.5455 2.5987 PRESSURE: 3889000 131.732 23.2665 169.429 23.2663 86.012 56.4578 169.429 56.457 23.6899 GPRESSURE: 3889000 114.837 25.8351 100.116 -17.211 124.159 20.3952 143.95 1.75039 69.2996 PRESSAVG: 3889000 -12.282 -35.4005 -64.9251 -35.4005 52.0357 3.47278 -64.9252 3.47275 34.8013 GPRESSAVG: 3889000 -13.3573 -33.5592 -62.2534 -37.3212 51.8591 4.02008 -66.05 3.98333 35.4391 TIMING: 3889000 CPU: 12149.6, 0.00311505/step Wall: 12149.6, 0.00311505/step, 0.961338 hours remaining, 236.707031 MB of memory in use. ENERGY: 3889000 3977.7730 20641.5918 14388.9595 233.6625 -202999.5613 2501.4808 0.0000 0.0000 51783.8787 -109472.2150 297.6027 -161256.0937 -109116.1170 299.1181 80.4781 102.7651 760912.3160 24.8517 24.6470 PRESSURE: 3889200 -352.085 -11.17 53.5107 -11.1704 -439.825 249.935 53.5113 249.936 -339.953 GPRESSURE: 3889200 -374.822 23.0543 -9.01863 -2.5709 -378.185 229.033 36.01 82.7335 -303.246 PRESSAVG: 3889200 -3.93672 42.814 -69.6649 42.8141 18.9927 18.4708 -69.665 18.4708 -8.25657 GPRESSAVG: 3889200 -4.66331 41.0258 -70.5926 43.3741 19.9917 18.6906 -69.3061 19.5087 -8.779 TIMING: 3889200 CPU: 12150.2, 0.00310817/step Wall: 12150.2, 0.00310817/step, 0.959042 hours remaining, 236.707031 MB of memory in use. ENERGY: 3889200 3959.0181 20648.3890 14465.5830 242.1229 -203734.6280 2583.9689 0.0000 0.0000 52059.0411 -109776.5050 299.1840 -161835.5461 -109411.8056 298.5881 -377.2874 -352.0844 763180.8740 2.2665 2.1831 PRESSURE: 3889400 -257.154 24.6389 -257.186 24.6384 84.7228 -23.9076 -257.186 -23.9063 -355.551 GPRESSURE: 3889400 -210.395 75.5649 -149.976 -96.4836 109.012 -40.2643 -294.126 -40.6117 -322.37 PRESSAVG: 3889400 -6.11437 8.77545 -46.0453 8.77542 -14.3906 -30.3994 -46.0453 -30.3994 -5.8722 GPRESSAVG: 3889400 -5.35668 9.67788 -45.3386 8.78083 -13.7048 -28.0258 -46.2224 -32.7618 -6.41685 TIMING: 3889400 CPU: 12150.8, 0.00311027/step Wall: 12150.8, 0.00311027/step, 0.959517 hours remaining, 236.707031 MB of memory in use. ENERGY: 3889400 3980.9491 20419.2772 14477.2934 229.8105 -203448.2331 2691.2823 0.0000 0.0000 52017.2924 -109632.3281 298.9441 -161649.6206 -109268.8032 298.4614 -175.9940 -141.2513 761860.8542 -8.7924 -8.4928 PRESSURE: 3889600 -118.529 -32.7588 -220.971 -32.7585 -57.2432 -179.212 -220.97 -179.212 -250.038 GPRESSURE: 3889600 -74.5852 -116.719 -239.643 -69.7776 -85.2084 -66.3638 -99.1772 -170.083 -159.702 PRESSAVG: 3889600 30.0818 28.6491 -37.9579 28.6491 -4.11689 42.0313 -37.9579 42.0312 -4.32706 GPRESSAVG: 3889600 30.9395 27.9503 -38.7826 30.0553 -5.56872 39.9636 -39.2519 44.3936 -3.68776 TIMING: 3889600 CPU: 12151.5, 0.00310575/step Wall: 12151.5, 0.00310575/step, 0.957952 hours remaining, 236.707031 MB of memory in use. ENERGY: 3889600 3997.7340 20556.7426 14436.3124 242.3871 -203455.7481 2638.1688 0.0000 0.0000 52047.4878 -109536.9155 299.1176 -161584.4032 -109177.1916 298.9342 -141.9367 -106.4984 762515.5149 7.2126 7.2277 PRESSURE: 3889800 -516.033 29.3345 -63.8363 29.3352 133.083 93.8702 -63.8371 93.8718 -116.57 GPRESSURE: 3889800 -391.041 73.8201 45.786 37.269 138.439 128.285 15.8021 1.53647 -162.51 PRESSAVG: 3889800 -45.1731 31.6045 -102.558 31.6045 26.4033 50.0419 -102.558 50.0419 7.72337 GPRESSAVG: 3889800 -44.5774 31.8544 -102.265 29.8236 27.2217 50.4896 -99.3691 48.4955 6.39842 TIMING: 3889800 CPU: 12152.1, 0.00311151/step Wall: 12152.1, 0.00311151/step, 0.959555 hours remaining, 236.707031 MB of memory in use. ENERGY: 3889800 3981.7777 20516.2762 14443.8876 244.2057 -203135.2156 2347.1046 0.0000 0.0000 51917.1462 -109684.8175 298.3686 -161601.9638 -109323.5177 298.8205 -166.5065 -138.3703 761301.0358 -3.6821 -3.6524 PRESSURE: 3890000 215.14 -75.2859 -15.1057 -75.2863 -185.428 -118.133 -15.1056 -118.132 545.086 GPRESSURE: 3890000 140.236 -101.845 25.1028 63.7527 -82.3125 -10.9211 64.7605 -51.0328 588.409 PRESSAVG: 3890000 -27.032 6.66005 1.03206 6.66005 60.8549 41.2051 1.03205 41.2051 -6.31484 GPRESSAVG: 3890000 -28.7534 5.42012 0.463128 7.43299 61.7244 39.279 1.86386 42.4996 -5.91111 TIMING: 3890000 CPU: 12152.7, 0.00310734/step Wall: 12152.7, 0.00310734/step, 0.958097 hours remaining, 236.707031 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: 3890000 3976.1683 20393.0522 14426.1590 240.2853 -203724.7366 2759.9301 0.0000 0.0000 52042.4251 -109886.7166 299.0885 -161929.1417 -109513.3682 297.9714 191.5992 215.4443 760516.7947 9.1694 9.0200 PRESSURE: 3890200 -194.144 -66.3375 231.147 -66.3374 -370.076 71.3832 231.148 71.3831 7.18903 GPRESSURE: 3890200 -134.591 13.2973 180.463 -235.207 -305.877 23.3959 42.5021 110.982 -43.9762 PRESSAVG: 3890200 -59.2554 27.0886 33.3422 27.0886 55.0057 45.8451 33.3423 45.8451 -13.9716 GPRESSAVG: 3890200 -58.1425 25.6379 35.3545 26.2666 54.4537 45.356 30.1117 48.0203 -14.1052 TIMING: 3890200 CPU: 12153.3, 0.0031058/step Wall: 12153.3, 0.0031058/step, 0.957449 hours remaining, 236.707031 MB of memory in use. ENERGY: 3890200 3908.5504 20521.8123 14479.2992 242.5333 -203678.1058 2724.5645 0.0000 0.0000 51928.3124 -109873.0337 298.4327 -161801.3461 -109499.8716 297.2818 -185.6772 -161.4814 763130.9837 -6.0737 -5.9313 PRESSURE: 3890400 -217.818 70.7919 -60.9059 70.7921 53.2185 29.3426 -60.9052 29.3441 -67.2316 GPRESSURE: 3890400 -155.403 89.7598 -35.2012 140.226 62.4999 32.5736 -4.65087 -18.5785 -40.6996 PRESSAVG: 3890400 -21.1495 -21.549 -2.35518 -21.549 -3.72725 79.4817 -2.35522 79.4817 15.324 GPRESSAVG: 3890400 -20.8382 -18.0411 -3.12138 -21.1675 -4.51898 80.3898 -0.649394 75.451 16.1579 TIMING: 3890400 CPU: 12153.9, 0.00309359/step Wall: 12153.9, 0.00309359/step, 0.953514 hours remaining, 236.707031 MB of memory in use. ENERGY: 3890400 3945.3433 20579.6796 14543.5421 237.2723 -203179.3679 2570.3075 0.0000 0.0000 51947.6524 -109355.5706 298.5439 -161303.2230 -108996.4782 298.0140 -77.2769 -44.5344 762574.3068 -3.1843 -3.0664 PRESSURE: 3890600 -389.818 52.1513 45.1244 52.1505 33.1238 105.46 45.1232 105.459 -501.422 GPRESSURE: 3890600 -339.531 124.566 92.3085 26.8601 -0.432602 80.4828 145.277 204.55 -440.656 PRESSAVG: 3890600 -43.5116 12.6389 -10.8788 12.6388 16.4727 -19.8548 -10.8789 -19.8549 -39.5992 GPRESSAVG: 3890600 -44.82 12.6253 -10.4428 13.1208 17.8016 -20.0419 -11.8486 -17.9682 -39.9988 TIMING: 3890600 CPU: 12154.6, 0.0031058/step Wall: 12154.6, 0.0031058/step, 0.957104 hours remaining, 236.707031 MB of memory in use. ENERGY: 3890600 4020.6763 20431.9485 14471.5475 249.4160 -203397.8986 2784.4349 0.0000 0.0000 52258.1260 -109181.7496 300.3282 -161439.8756 -108817.3631 298.8754 -286.0387 -260.2064 763397.7175 -22.2127 -22.3391 PRESSURE: 3890800 -30.7757 -178.213 -387.792 -178.212 -232.358 66.9038 -387.792 66.9049 -155.842 GPRESSURE: 3890800 13.6093 -177.161 -384.101 -180.528 -156.237 26.4472 -320.124 128.765 -184.477 PRESSAVG: 3890800 -2.88929 -18.5241 -48.2143 -18.524 32.5219 33.6888 -48.2143 33.6887 18.6334 GPRESSAVG: 3890800 -2.81986 -19.0539 -49.8025 -19.0745 32.6198 35.1086 -46.2194 33.5851 17.8081 TIMING: 3890800 CPU: 12155.2, 0.00311258/step Wall: 12155.2, 0.00311258/step, 0.95902 hours remaining, 236.707031 MB of memory in use. ENERGY: 3890800 4030.5604 20368.4247 14465.6065 223.1223 -203360.0870 2637.4172 0.0000 0.0000 52415.3564 -109219.5996 301.2318 -161634.9559 -108856.1344 299.4095 -139.6585 -109.0349 762738.1330 16.0887 15.8694 PRESSURE: 3891000 -141.93 -96.5369 -64.2431 -96.5373 -60.865 128.395 -64.2428 128.395 -145.306 GPRESSURE: 3891000 -65.7448 -176.672 -54.8114 -135.712 -8.65252 126.15 25.9884 130.006 -178.993 PRESSAVG: 3891000 -43.612 25.7252 -6.60656 25.7251 52.7315 -12.0587 -6.60651 -12.0587 6.88239 GPRESSAVG: 3891000 -43.2363 27.0053 -4.87313 24.1033 52.6614 -13.0387 -8.61141 -11.9647 6.89482 TIMING: 3891000 CPU: 12155.8, 0.00311518/step Wall: 12155.8, 0.00311518/step, 0.959648 hours remaining, 236.707031 MB of memory in use. ENERGY: 3891000 4069.8626 20649.5192 14496.1306 252.9301 -203355.8719 2840.2912 0.0000 0.0000 52115.9303 -108931.2079 299.5110 -161047.1382 -108573.4496 299.3836 -116.0337 -84.4636 763846.7329 5.3340 5.4400 PRESSURE: 3891200 153.815 -97.0138 33.1883 -97.013 116.419 59.0346 33.1875 59.0335 189.63 GPRESSURE: 3891200 166.51 -56.0267 -17.1013 -193.016 164.515 30.1975 -123.174 74.6269 181.339 PRESSAVG: 3891200 -50.3112 9.91317 4.74037 9.91323 39.7488 59.5652 4.74033 59.5651 -19.7135 GPRESSAVG: 3891200 -50.9039 9.09127 4.04472 9.74794 40.6512 60.5289 5.32238 57.4247 -19.9789 TIMING: 3891200 CPU: 12156.4, 0.00308705/step Wall: 12156.4, 0.00308705/step, 0.950811 hours remaining, 236.707031 MB of memory in use. ENERGY: 3891200 4003.8547 20615.7411 14456.0214 228.6973 -203169.3199 2805.1606 0.0000 0.0000 51974.7870 -109085.0577 298.6998 -161059.8447 -108730.7151 299.4527 153.2880 170.7881 763116.8570 -10.0920 -10.0772 PRESSURE: 3891400 71.3386 -63.6413 -75.1221 -63.6424 115.084 -115.767 -75.1217 -115.766 -280.168 GPRESSURE: 3891400 111.606 -9.68613 -29.5583 -95.9225 71.0092 -122.946 -77.5157 -83.7098 -202.764 PRESSAVG: 3891400 31.1337 26.4763 8.95564 26.4763 -6.11108 -10.3518 8.95563 -10.3519 24.8721 GPRESSAVG: 3891400 31.6732 25.6975 8.54451 28.8392 -6.64573 -11.3913 9.87156 -9.18375 25.0451 TIMING: 3891400 CPU: 12157, 0.00307198/step Wall: 12157, 0.00307198/step, 0.945998 hours remaining, 236.707031 MB of memory in use. ENERGY: 3891400 3955.8986 20529.7461 14531.8716 275.9659 -202946.1247 2695.2823 0.0000 0.0000 52038.7868 -108918.5735 299.0676 -160957.3602 -108550.8379 299.5175 -31.2486 -6.7162 763745.2496 16.6316 16.6908 PRESSURE: 3891600 -171.179 -141.58 104.077 -141.58 191.844 -247.037 104.077 -247.037 -2.89235 GPRESSURE: 3891600 -81.8382 -155.603 101.501 -186.769 201.429 -195.481 108.199 -214.649 -12.5132 PRESSAVG: 3891600 27.908 42.7409 38.7924 42.741 -17.0939 -4.60459 38.7925 -4.6047 13.4116 GPRESSAVG: 3891600 27.9477 41.278 40.1007 44.2684 -16.5599 -4.13056 37.5438 -2.01882 12.5205 TIMING: 3891600 CPU: 12157.7, 0.00309994/step Wall: 12157.7, 0.00309994/step, 0.954437 hours remaining, 236.707031 MB of memory in use. ENERGY: 3891600 4043.1872 20599.9253 14441.8278 259.3148 -203340.5590 2743.1526 0.0000 0.0000 52243.4231 -109009.7282 300.2437 -161253.1513 -108646.6489 299.6951 5.9241 35.6925 763329.4125 8.0752 7.9694 PRESSURE: 3891800 66.0458 -28.3516 -2.21573 -28.351 144.202 46.0282 -2.21555 46.0284 174.823 GPRESSURE: 3891800 130.492 -141.248 -78.6789 -22.8593 117.412 48.0221 -73.8489 43.6444 215.731 PRESSAVG: 3891800 -10.8346 11.6402 -22.5536 11.6402 -9.52462 36.1213 -22.5536 36.1214 2.72095 GPRESSAVG: 3891800 -10.9757 10.9928 -23.0619 12.3924 -10.5845 35.3156 -22.5932 34.0314 3.2533 TIMING: 3891800 CPU: 12158.3, 0.0031002/step Wall: 12158.3, 0.0031002/step, 0.954344 hours remaining, 236.707031 MB of memory in use. ENERGY: 3891800 3953.4636 20613.6400 14485.1326 251.8020 -203858.2001 2922.6209 0.0000 0.0000 52328.9286 -109302.6124 300.7351 -161631.5410 -108951.3794 299.6523 128.3569 154.5447 763891.2553 -5.8794 -6.1023 PRESSURE: 3892000 342.441 0.988345 24.7389 0.989054 74.0925 265.155 24.7388 265.154 186.195 GPRESSURE: 3892000 416.046 26.8271 37.7218 -14.1943 141.94 221.983 -66.2247 188.714 126.801 PRESSAVG: 3892000 39.0206 -29.0893 -9.8616 -29.0893 -26.8251 1.73255 -9.8616 1.73253 -28.1132 GPRESSAVG: 3892000 38.8366 -26.9492 -10.3057 -31.0233 -26.8832 1.17043 -11.0105 0.922857 -28.0586 TIMING: 3892000 CPU: 12158.9, 0.00312275/step Wall: 12158.9, 0.00312275/step, 0.961113 hours remaining, 236.707031 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: 3892000 4017.8662 20717.0945 14445.9373 252.1337 -204014.8308 3156.2020 0.0000 0.0000 52115.0934 -109310.5036 299.5062 -161425.5971 -108945.9736 299.6466 200.9098 228.2627 762095.8101 -5.3059 -5.3684 PRESSURE: 3892200 -349.527 -64.8633 194.3 -64.8624 9.2611 -70.6213 194.3 -70.6208 110.673 GPRESSURE: 3892200 -276.821 -122.895 296.177 15.5302 -22.4603 6.74711 226.32 -82.1547 146.93 PRESSAVG: 3892200 20.4552 -15.4031 -6.58153 -15.4031 1.14544 7.09486 -6.58153 7.09485 -22.2558 GPRESSAVG: 3892200 19.6235 -15.817 -6.43374 -14.1013 1.30767 7.163 -6.2453 8.43105 -22.0874 TIMING: 3892200 CPU: 12159.5, 0.00312255/step Wall: 12159.5, 0.00312255/step, 0.960877 hours remaining, 236.707031 MB of memory in use. ENERGY: 3892200 3986.2694 20665.8264 14429.2858 247.9101 -203490.2067 2755.0704 0.0000 0.0000 51818.9705 -109586.8741 297.8043 -161405.8446 -109237.3034 299.0168 -76.5307 -50.7838 762308.9017 -0.2184 -0.3854 LDB: ============= START OF LOAD BALANCING ============== 12172 LDB: ============== END OF LOAD BALANCING =============== 12172 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12172 LDB: ============= START OF LOAD BALANCING ============== 12172.3 LDB: Largest compute 7050 load 0.028696 is 14.7% of average load 0.195292 LDB: Average compute 0.004386 is 2.2% of average load 0.195292 LDB: TIME 12172.3 LOAD: AVG 0.195292 MAX 0.212015 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.375 MB LDB: TIME 12172.3 LOAD: AVG 0.195292 MAX 0.212015 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.43 MB LDB: TIME 12172.3 LOAD: AVG 0.195292 MAX 0.212015 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.43 MB LDB: ============== END OF LOAD BALANCING =============== 12172.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12172.3 PRESSURE: 3892400 -60.059 -212.962 22.3896 -212.963 -237.581 -192.012 22.3891 -192.012 -277.203 GPRESSURE: 3892400 -75.2597 -191.723 16.5418 -267.648 -145.654 -255.389 64.2878 -171.196 -276.646 PRESSAVG: 3892400 54.4243 41.6154 6.67568 41.6154 -45.4016 18.7216 6.67565 18.7217 -8.27281 GPRESSAVG: 3892400 55.1045 43.7768 6.85004 38.8863 -45.5579 19.4167 7.60982 19.6402 -8.43679 TIMING: 3892400 CPU: 12160.2, 0.00319214/step Wall: 12160.2, 0.00319214/step, 0.982114 hours remaining, 235.023438 MB of memory in use. ENERGY: 3892400 3990.8673 20568.6818 14403.4733 244.9002 -203420.9562 2683.6545 0.0000 0.0000 51964.8180 -109564.5611 298.6425 -161529.3791 -109198.0376 298.9991 -191.6143 -165.8532 763170.3012 0.2499 0.3699 PRESSURE: 3892600 141.494 96.2865 -0.8708 96.2867 4.05271 102.711 -0.870604 102.71 255.975 GPRESSURE: 3892600 176.733 149.623 -51.261 146.866 43.9647 36.3688 -68.1859 143.928 247.896 PRESSAVG: 3892600 9.70661 -0.168284 15.7104 -0.168327 -48.6004 -1.58163 15.7104 -1.58161 5.06874 GPRESSAVG: 3892600 8.99301 -1.95113 15.2674 2.37627 -48.2163 -0.570832 15.6813 -3.22737 5.04769 TIMING: 3892600 CPU: 12160.8, 0.00311981/step Wall: 12160.8, 0.00311981/step, 0.959689 hours remaining, 235.226562 MB of memory in use. ENERGY: 3892600 4033.1845 20454.4410 14360.1047 243.5593 -203601.0455 2830.9385 0.0000 0.0000 51916.5946 -109762.2230 298.3654 -161678.8176 -109398.5324 298.3654 133.8407 156.1978 763586.0065 -11.2750 -11.3919 PRESSURE: 3892800 -48.1285 26.2568 24.6862 26.2572 -55.6438 -264.732 24.6859 -264.732 239.423 GPRESSURE: 3892800 -40.2933 2.52733 10.3099 -35.7198 47.5322 -242.181 10.4722 -193.592 207.669 PRESSAVG: 3892800 2.32291 -66.195 -8.9084 -66.1951 -29.2981 21.0525 -8.90845 21.0525 1.79756 GPRESSAVG: 3892800 3.72844 -65.2743 -9.31041 -67.6048 -29.7559 19.8046 -9.25838 21.9274 1.51876 TIMING: 3892800 CPU: 12161.4, 0.0031141/step Wall: 12161.4, 0.0031141/step, 0.957758 hours remaining, 235.226562 MB of memory in use. ENERGY: 3892800 4069.5472 20473.6271 14427.0389 255.7989 -203437.9541 2834.0882 0.0000 0.0000 51682.8618 -109694.9919 297.0221 -161377.8537 -109348.1155 298.0168 45.2170 71.6358 763776.5494 -8.3926 -8.1696 PRESSURE: 3893000 -258.522 -41.981 -292.345 -41.9805 -27.9518 170.732 -292.346 170.733 -197.635 GPRESSURE: 3893000 -125.038 -3.95492 -277.483 -27.9709 -101.674 70.4543 -218.168 203.47 -180.363 PRESSAVG: 3893000 63.3661 19.6293 -20.948 19.6293 -40.9352 39.5007 -20.948 39.5008 4.35593 GPRESSAVG: 3893000 62.9943 16.6205 -20.3425 21.2507 -40.5671 38.3663 -21.7405 39.3859 4.12669 TIMING: 3893000 CPU: 12162, 0.00310355/step Wall: 12162, 0.00310355/step, 0.95434 hours remaining, 235.292969 MB of memory in use. ENERGY: 3893000 4002.4702 20597.0752 14418.7175 246.3556 -202796.8015 2286.3932 0.0000 0.0000 51834.5207 -109411.2691 297.8937 -161245.7898 -109046.6238 298.4524 -161.3699 -135.6915 762466.1034 8.9289 8.8513 PRESSURE: 3893200 -144.299 -50.8882 181.889 -50.8885 -203.492 -117.963 181.89 -117.962 130.984 GPRESSURE: 3893200 -103.516 -18.1862 175.112 -41.2259 -177.146 -164.902 318.76 -253.554 137.141 PRESSAVG: 3893200 9.48089 28.198 59.9655 28.1981 15.8497 4.9063 59.9655 4.9062 15.189 GPRESSAVG: 3893200 9.27473 30.6731 60.2859 25.9332 15.5243 5.88746 62.1495 3.51277 16.0977 TIMING: 3893200 CPU: 12162.7, 0.0031366/step Wall: 12162.7, 0.0031366/step, 0.964329 hours remaining, 235.292969 MB of memory in use. ENERGY: 3893200 4019.2541 20503.8576 14408.0547 259.8738 -203482.4708 2766.4309 0.0000 0.0000 52247.3350 -109277.6647 300.2662 -161524.9997 -108909.8798 298.7743 -72.2692 -47.8405 762152.9217 13.5065 13.6322 PRESSURE: 3893400 83.4932 -70.7757 2.68611 -70.7751 -64.6245 -182.87 2.68659 -182.87 406.693 GPRESSURE: 3893400 60.871 -114.269 37.1751 -87.0594 -6.37059 -135.954 -75.8172 -165.178 456.103 PRESSAVG: 3893400 52.4686 21.4939 0.268932 21.4939 -79.5018 -84.742 0.269018 -84.742 -15.8022 GPRESSAVG: 3893400 52.688 20.3339 0.159034 23.2452 -79.4449 -84.8067 -2.22647 -81.1337 -15.7747 TIMING: 3893400 CPU: 12163.3, 0.00312983/step Wall: 12163.3, 0.00312983/step, 0.962074 hours remaining, 235.292969 MB of memory in use. ENERGY: 3893400 3906.3985 20600.9587 14368.5049 249.0359 -203206.5841 2660.0664 0.0000 0.0000 52263.7972 -109157.8225 300.3608 -161421.6197 -108795.3766 299.2583 141.8538 170.2012 762687.9595 -14.2785 -14.1772 PRESSURE: 3893600 -639.035 -75.9207 -140.045 -75.9206 -362.454 103.332 -140.045 103.332 -143.225 GPRESSURE: 3893600 -483.587 -95.9024 -98.7625 -80.3289 -318.565 147.784 -73.9937 121.208 -262.443 PRESSAVG: 3893600 27.6334 6.92049 4.19653 6.9205 -31.8226 7.47732 4.19658 7.47736 5.25325 GPRESSAVG: 3893600 27.1881 8.06971 4.80981 5.80544 -31.3758 6.32442 6.39252 6.08915 4.3937 TIMING: 3893600 CPU: 12163.9, 0.00310254/step Wall: 12163.9, 0.00310254/step, 0.953515 hours remaining, 235.292969 MB of memory in use. ENERGY: 3893600 3986.6881 20585.0643 14463.9565 249.4274 -202646.8651 2221.4729 0.0000 0.0000 52073.5468 -109066.7092 299.2674 -161140.2560 -108713.4310 299.7064 -381.5713 -354.8653 763881.2928 0.3547 0.0687 PRESSURE: 3893800 -0.147236 -217.343 -42.1013 -217.343 -570.062 151.818 -42.1022 151.819 -60.16 GPRESSURE: 3893800 -86.1398 -230.573 -6.08698 -254.846 -473.139 93.4801 -3.77514 27.8701 27.1139 PRESSAVG: 3893800 44.8224 -8.83536 -19.0479 -8.83535 -69.9936 -16.6272 -19.0479 -16.6272 8.97856 GPRESSAVG: 3893800 44.1162 -8.17445 -19.8142 -8.06354 -68.4976 -17.4621 -19.4314 -17.166 8.32964 TIMING: 3893800 CPU: 12164.5, 0.0031207/step Wall: 12164.5, 0.0031207/step, 0.958922 hours remaining, 235.292969 MB of memory in use. ENERGY: 3893800 3924.7569 20672.4545 14377.8974 249.0543 -202805.6731 2675.6208 0.0000 0.0000 52137.4102 -108768.4791 299.6344 -160905.8893 -108402.2765 299.8842 -210.1230 -177.3882 763598.1165 -5.3976 -5.3506 PRESSURE: 3894000 316.262 -74.6782 -84.3605 -74.6788 77.8762 165.981 -84.3601 165.98 -304.829 GPRESSURE: 3894000 357.56 -56.6188 -143.722 22.3917 40.38 125.829 -165.126 94.5601 -213.11 PRESSAVG: 3894000 47.9068 -0.553064 -19.8846 -0.553076 -40.0488 21.7056 -19.8846 21.7056 -1.40498 GPRESSAVG: 3894000 48.2696 -2.82814 -21.0859 0.35995 -42.2451 23.2641 -20.3121 19.7954 0.703003 TIMING: 3894000 CPU: 12165.1, 0.00310846/step Wall: 12165.1, 0.00310845/step, 0.954986 hours remaining, 235.292969 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: 3894000 4013.2264 20522.1943 14426.9837 249.8319 -203155.5660 2713.6156 0.0000 0.0000 52334.3086 -108895.4054 300.7660 -161229.7140 -108538.7149 300.1497 29.7695 61.6099 760749.8437 2.1510 2.2425 PRESSURE: 3894200 -527.162 74.608 -76.3366 74.6074 -299.534 125.219 -76.3365 125.218 489.175 GPRESSURE: 3894200 -438.928 101.013 -91.411 148.928 -293.278 17.9446 -89.8794 213.073 494.915 PRESSAVG: 3894200 24.7347 20.206 13.3891 20.206 -23.0609 -3.1376 13.3891 -3.13763 2.61209 GPRESSAVG: 3894200 24.1592 23.7942 15.7804 16.4451 -21.6808 -2.77118 12.2523 -1.59374 1.44862 TIMING: 3894200 CPU: 12165.8, 0.00311236/step Wall: 12165.8, 0.00311236/step, 0.956015 hours remaining, 235.292969 MB of memory in use. ENERGY: 3894200 4006.5169 20789.3601 14432.7529 221.2190 -203092.0572 2796.8384 0.0000 0.0000 51846.7300 -108998.6400 297.9639 -160845.3700 -108643.0061 300.0712 -112.5068 -79.0968 762061.0894 1.4286 1.3090 PRESSURE: 3894400 -26.6144 -2.36641 187.338 -2.36673 -102.785 -355.145 187.337 -355.145 90.158 GPRESSURE: 3894400 84.2008 -78.5533 139.984 45.8794 -148.659 -367.41 44.7439 -351.928 119.575 PRESSAVG: 3894400 -7.60416 -41.9251 7.2114 -41.9251 22.2861 -12.6905 7.21142 -12.6905 0.766241 GPRESSAVG: 3894400 -5.78227 -44.4128 5.83409 -38.0533 21.1022 -12.7495 10.7656 -13.1658 0.769768 TIMING: 3894400 CPU: 12166.4, 0.00310476/step Wall: 12166.4, 0.00310476/step, 0.953506 hours remaining, 235.292969 MB of memory in use. ENERGY: 3894400 4013.0931 20550.3999 14491.5506 254.6826 -203032.1952 2590.6519 0.0000 0.0000 52036.5053 -109095.3118 299.0545 -161131.8171 -108742.3647 299.7479 -13.0806 18.3724 762704.1962 5.1494 5.3632 PRESSURE: 3894600 -135.997 -18.4394 66.7088 -18.438 -111.045 14.6222 66.7098 14.6224 -303.465 GPRESSURE: 3894600 -218.61 99.5237 -59.9375 27.8058 78.3136 19.6983 102.513 90.2529 -329.477 PRESSAVG: 3894600 34.4582 18.9449 -17.4203 18.9449 -23.0346 -43.3767 -17.4203 -43.3766 -1.98039 GPRESSAVG: 3894600 32.3709 20.1764 -17.9529 16.4473 -22.0962 -42.5289 -20.216 -44.7059 -0.960327 TIMING: 3894600 CPU: 12167, 0.00310787/step Wall: 12167, 0.00310787/step, 0.95429 hours remaining, 235.292969 MB of memory in use. ENERGY: 3894600 3914.1803 20538.2916 14437.2680 244.9245 -202949.1705 2432.9135 0.0000 0.0000 52130.9281 -109250.6645 299.5972 -161381.5926 -108887.8217 299.5997 -183.5021 -156.5913 762268.4223 3.1477 3.1048 PRESSURE: 3894800 315.387 -257.867 74.299 -257.867 -40.5547 -212.966 74.2975 -212.966 184.791 GPRESSURE: 3894800 379.37 -167.486 68.6035 -179.815 -60.0791 -234.792 68.0537 -110.704 223.968 PRESSAVG: 3894800 33.3163 -8.03941 -10.9547 -8.03941 -31.7 37.4514 -10.9547 37.4515 30.6458 GPRESSAVG: 3894800 35.0237 -7.8983 -9.74984 -6.47586 -32.6416 36.0084 -10.3812 40.5556 30.0665 TIMING: 3894800 CPU: 12167.6, 0.00310454/step Wall: 12167.6, 0.00310454/step, 0.953095 hours remaining, 235.292969 MB of memory in use. ENERGY: 3894800 3846.7065 20643.0900 14455.9385 252.6325 -203451.9391 2937.2489 0.0000 0.0000 51937.0827 -109379.2398 298.4831 -161316.3226 -109020.1139 299.1113 153.2077 181.0863 763542.1056 10.7540 10.8162 PRESSURE: 3895000 66.0988 -185.543 -63.7222 -185.543 -136.009 55.6004 -63.7231 55.6021 -166.505 GPRESSURE: 3895000 132.603 -99.1799 -28.2214 -123.461 -95.0904 23.4835 -54.5074 50.2334 -192.188 PRESSAVG: 3895000 17.0021 -57.2556 13.5062 -57.2556 -48.6137 21.6259 13.5061 21.626 -17.4541 GPRESSAVG: 3895000 17.6436 -58.6351 13.363 -57.256 -48.8051 22.5602 12.1878 20.6642 -17.4859 TIMING: 3895000 CPU: 12168.3, 0.00310313/step Wall: 12168.3, 0.00310313/step, 0.95249 hours remaining, 235.292969 MB of memory in use. ENERGY: 3895000 4074.7614 20398.7478 14483.0573 249.0353 -203291.7137 2614.5545 0.0000 0.0000 52162.5624 -109308.9950 299.7790 -161471.5574 -108954.2300 299.1009 -78.8049 -51.5585 762573.8088 -16.3553 -16.2158 PRESSURE: 3895200 -398.135 -32.821 -75.7069 -32.8211 65.4158 -176.139 -75.7074 -176.139 -668.055 GPRESSURE: 3895200 -420.474 3.74142 -93.5363 -51.1011 51.4715 -190.101 -66.6745 -28.803 -554.054 PRESSAVG: 3895200 38.3228 -21.9201 3.39371 -21.9202 13.874 48.2376 3.39366 48.2376 -3.80022 GPRESSAVG: 3895200 37.9947 -23.1965 2.86363 -21.4584 14.3457 48.5451 2.93802 48.289 -3.92202 TIMING: 3895200 CPU: 12168.9, 0.00311362/step Wall: 12168.9, 0.00311362/step, 0.955535 hours remaining, 235.292969 MB of memory in use. ENERGY: 3895200 3956.3701 20391.8681 14413.9520 232.2611 -203139.5451 2390.4569 0.0000 0.0000 52276.5538 -109478.0831 300.4341 -161754.6369 -109112.8826 299.2024 -333.5914 -307.6856 763981.3547 16.1322 16.1395 PRESSURE: 3895400 208.444 144.042 -81.0211 144.042 -162.731 -79.7559 -81.021 -79.7554 -270.204 GPRESSURE: 3895400 206.181 92.0575 -105.644 38.436 -106.026 -62.1641 29.5718 -156.202 -252.006 PRESSAVG: 3895400 24.8082 -21.8224 -23.4781 -21.8224 37.2397 -5.34337 -23.4781 -5.34333 -7.32299 GPRESSAVG: 3895400 23.9179 -21.9945 -21.6125 -21.8411 37.4877 -6.4529 -22.1071 -7.42563 -6.33479 TIMING: 3895400 CPU: 12169.5, 0.00309998/step Wall: 12169.5, 0.00309998/step, 0.951178 hours remaining, 235.292969 MB of memory in use. ENERGY: 3895400 4000.5657 20525.8966 14425.8865 234.7855 -203789.0331 2913.6469 0.0000 0.0000 52220.5352 -109467.7168 300.1121 -161688.2519 -109098.9803 299.4098 -74.8304 -50.6171 761321.9309 18.2416 18.3569 PRESSURE: 3895600 -4.2149 64.2217 -391.242 64.2217 -111.109 171.929 -391.241 171.93 105.297 GPRESSURE: 3895600 34.5453 36.8545 -296.665 144.553 -37.4422 125.436 -418.922 96.8985 75.9153 PRESSAVG: 3895600 32.2043 -42.9191 -34.2844 -42.9192 -13.7762 6.93555 -34.2845 6.93565 34.6293 GPRESSAVG: 3895600 31.8584 -44.3295 -37.0564 -43.6549 -12.728 7.38715 -35.7558 8.12382 34.1873 TIMING: 3895600 CPU: 12170.1, 0.00310362/step Wall: 12170.1, 0.00310362/step, 0.952121 hours remaining, 235.292969 MB of memory in use. ENERGY: 3895600 3972.4447 20307.0593 14431.1145 237.4415 -203311.5070 2553.8445 0.0000 0.0000 52309.1713 -109500.4311 300.6215 -161809.6024 -109123.5076 299.3361 -3.3421 24.3394 761365.0788 17.6858 17.7726 PRESSURE: 3895800 273.314 -107.764 123.455 -107.765 239.138 -6.38016 123.455 -6.37987 309.534 GPRESSURE: 3895800 301.943 -238.455 33.5368 -51.6296 271.963 -80.748 36.2672 47.3225 338.744 PRESSAVG: 3895800 67.1092 -63.3419 -25.9164 -63.3418 -52.7556 46.3764 -25.9164 46.3764 -1.85086 GPRESSAVG: 3895800 68.4969 -59.4004 -26.2129 -63.9492 -54.2076 47.2146 -23.6726 45.0665 -2.24108 TIMING: 3895800 CPU: 12170.7, 0.00311481/step Wall: 12170.7, 0.00311481/step, 0.955381 hours remaining, 235.292969 MB of memory in use. ENERGY: 3895800 3961.2686 20475.8958 14455.2942 251.9800 -203528.6213 2877.3577 0.0000 0.0000 51959.5272 -109547.2979 298.6121 -161506.8251 -109184.1584 299.0878 273.9951 304.2170 761110.3458 4.1676 4.0161 PRESSURE: 3896000 9.4667 28.725 -186.669 28.7238 10.5895 71.172 -186.67 71.1714 76.7637 GPRESSURE: 3896000 31.1399 -73.0984 -114.831 26.79 29.6602 86.806 -104.592 154.045 96.1839 PRESSAVG: 3896000 8.8553 -33.6133 -37.4483 -33.6133 13.993 17.6242 -37.4484 17.6242 5.61137 GPRESSAVG: 3896000 7.72947 -34.5388 -37.5295 -32.6772 14.6313 18.0793 -37.4333 19.8564 5.73325 TIMING: 3896000 CPU: 12171.4, 0.00312342/step Wall: 12171.4, 0.00312342/step, 0.957848 hours remaining, 235.292969 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: 3896000 4005.9834 20370.8539 14445.6051 256.5000 -203503.3844 2720.6139 0.0000 0.0000 52111.9229 -109591.9052 299.4879 -161703.8280 -109218.4563 298.5353 32.2733 52.3280 761076.5636 9.4866 9.3647 PRESSURE: 3896200 -156.056 -33.2065 107.189 -33.2068 -45.1522 -173.841 107.189 -173.841 -167.567 GPRESSURE: 3896200 -102.159 -156.086 -54.2404 11.055 -24.5141 -157.467 110.631 -158.932 -167.69 PRESSAVG: 3896200 6.01813 14.27 -45.5528 14.27 -29.1243 -2.60566 -45.5528 -2.60564 5.17009 GPRESSAVG: 3896200 7.6245 13.0876 -46.1016 13.4756 -29.9224 -4.33308 -45.5117 -3.64266 4.16308 TIMING: 3896200 CPU: 12172, 0.00312711/step Wall: 12172, 0.00312711/step, 0.958808 hours remaining, 235.292969 MB of memory in use. ENERGY: 3896200 4016.8343 20530.5578 14419.6147 268.4220 -203010.6238 2284.2796 0.0000 0.0000 51974.9602 -109515.9550 298.7008 -161490.9153 -109161.8879 298.2344 -122.9252 -98.1208 762029.2038 -5.9787 -6.0449 LDB: ============= START OF LOAD BALANCING ============== 12184.5 LDB: ============== END OF LOAD BALANCING =============== 12184.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12184.5 LDB: ============= START OF LOAD BALANCING ============== 12184.8 LDB: Largest compute 7077 load 0.027990 is 14.3% of average load 0.195275 LDB: Average compute 0.004374 is 2.2% of average load 0.195275 LDB: TIME 12184.8 LOAD: AVG 0.195275 MAX 0.214676 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.062 MB LDB: TIME 12184.8 LOAD: AVG 0.195275 MAX 0.214676 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.062 MB LDB: TIME 12184.8 LOAD: AVG 0.195275 MAX 0.214676 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.062 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12184.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12184.8 PRESSURE: 3896400 -7.72669 -85.61 -81.7153 -85.6096 -90.3152 -19.9764 -81.7144 -19.9773 -24.0352 GPRESSURE: 3896400 92.4473 -39.2183 -69.1248 -59.53 -79.5016 -66.0207 55.8786 45.55 -56.7909 PRESSAVG: 3896400 -15.2113 -47.5194 -68.2245 -47.5194 32.9361 43.042 -68.2245 43.042 19.0051 GPRESSAVG: 3896400 -15.5432 -46.387 -65.5202 -44.7629 33.0128 44.6158 -68.9987 44.096 19.7543 TIMING: 3896400 CPU: 12172.6, 0.0032008/step Wall: 12172.6, 0.0032008/step, 0.981222 hours remaining, 234.191406 MB of memory in use. ENERGY: 3896400 3957.9250 20516.7777 14408.8303 249.8445 -203313.6163 2586.0413 0.0000 0.0000 52278.5529 -109315.6445 300.4456 -161594.1974 -108950.3843 298.4113 -40.6924 -14.6151 762284.3056 12.2433 12.4080 PRESSURE: 3896600 -22.4695 -261.955 -43.0236 -261.956 174.371 -4.25394 -43.0235 -4.25272 159.1 GPRESSURE: 3896600 -24.9434 -324.615 32.1682 -251.862 244.181 39.3003 -103.858 194.426 180.263 PRESSAVG: 3896600 50.4849 -36.217 -21.6225 -36.217 0.140712 16.5762 -21.6225 16.5762 -2.7939 GPRESSAVG: 3896600 50.5492 -39.1206 -22.8143 -37.4685 0.812428 15.477 -21.0631 18.1767 -3.38914 TIMING: 3896600 CPU: 12173.3, 0.00311199/step Wall: 12173.3, 0.00311199/step, 0.953826 hours remaining, 234.316406 MB of memory in use. ENERGY: 3896600 3941.9229 20356.3116 14434.8676 234.5130 -202905.8210 2552.7100 0.0000 0.0000 52003.3052 -109382.1906 298.8637 -161385.4958 -109015.4313 299.1355 103.6673 133.1670 762163.5491 15.9439 15.9908 PRESSURE: 3896800 148.062 30.8037 -93.2441 30.8044 34.4417 -77.3694 -93.2437 -77.3694 221.197 GPRESSURE: 3896800 134.597 -28.2716 -103.839 150.614 57.2792 -97.8479 -123.776 4.70959 285.373 PRESSAVG: 3896800 -24.3111 -23.3715 -13.0564 -23.3716 8.30974 41.9032 -13.0564 41.9032 -42.6349 GPRESSAVG: 3896800 -25.1167 -23.4946 -12.6167 -21.9596 9.27241 40.829 -13.5905 42.3195 -42.7554 TIMING: 3896800 CPU: 12173.9, 0.00310908/step Wall: 12173.9, 0.00310908/step, 0.95276 hours remaining, 234.519531 MB of memory in use. ENERGY: 3896800 3941.3678 20701.6568 14440.0332 240.1777 -203009.8078 2613.6639 0.0000 0.0000 51737.6444 -109335.2641 297.3370 -161072.9084 -108988.2923 299.0288 134.5669 159.0830 763247.1823 -19.5454 -19.5333 PRESSURE: 3897000 -241.769 -70.0241 -46.8994 -70.0242 -27.5724 201.288 -46.9001 201.288 -59.4802 GPRESSURE: 3897000 -64.1453 -12.2637 83.2999 -130.545 -105.398 194.169 -167.719 204.569 -63.4161 PRESSAVG: 3897000 -14.8372 -59.1938 6.04072 -59.1938 -8.42144 50.5953 6.04078 50.5953 -6.6624 GPRESSAVG: 3897000 -14.5617 -57.0464 5.62007 -61.8308 -9.08971 52.2682 4.89185 48.7751 -6.54884 TIMING: 3897000 CPU: 12174.5, 0.003114/step Wall: 12174.5, 0.003114/step, 0.954096 hours remaining, 234.519531 MB of memory in use. ENERGY: 3897000 3993.4692 20496.8633 14434.7005 242.5628 -202822.5663 2528.6224 0.0000 0.0000 51998.2274 -109128.1206 298.8345 -161126.3480 -108775.4038 299.0826 -109.6072 -77.6533 763218.9121 -9.9737 -10.0667 PRESSURE: 3897200 68.6864 -19.3564 5.91953 -19.3558 410.273 33.1272 5.91952 33.1256 74.7469 GPRESSURE: 3897200 147.97 -91.9411 -27.3214 4.9197 369.006 -56.722 -46.7371 57.2773 121.076 PRESSAVG: 3897200 -7.78715 1.51269 13.1355 1.51267 19.6892 -15.7246 13.1356 -15.7246 6.98896 GPRESSAVG: 3897200 -7.52278 2.50721 13.0322 2.24669 19.1531 -17.4432 13.9086 -15.5618 6.42196 TIMING: 3897200 CPU: 12175.1, 0.00309725/step Wall: 12175.1, 0.00309725/step, 0.948789 hours remaining, 234.519531 MB of memory in use. ENERGY: 3897200 4006.7470 20543.4445 14434.4745 247.7247 -203156.9253 2866.5402 0.0000 0.0000 51978.0820 -109079.9125 298.7188 -161057.9944 -108721.2655 299.2731 184.5689 212.6840 762188.9978 6.2970 6.0174 PRESSURE: 3897400 395.755 -117.519 -28.6715 -117.519 -361.987 -207.256 -28.6724 -207.255 -125.828 GPRESSURE: 3897400 246.44 -111.598 -112.773 -106.874 -182.317 -183.232 -5.16166 -219.919 -74.6902 PRESSAVG: 3897400 48.2866 6.49533 -9.96968 6.49532 -64.4754 -41.1497 -9.96966 -41.1497 20.9761 GPRESSAVG: 3897400 47.9555 4.86483 -9.39995 7.06743 -63.6742 -40.7783 -9.2892 -40.5085 20.4076 TIMING: 3897400 CPU: 12175.7, 0.00310581/step Wall: 12175.7, 0.00310581/step, 0.95124 hours remaining, 234.519531 MB of memory in use. ENERGY: 3897400 4033.4610 20488.6858 14410.6657 230.8609 -203104.7802 2641.2774 0.0000 0.0000 51840.5653 -109459.2641 297.9284 -161299.8294 -109100.8825 298.9989 -30.6868 -3.5223 762232.0460 1.5957 1.5630 PRESSURE: 3897600 184.502 71.2642 142.32 71.2644 174.993 -51.5199 142.321 -51.521 -294.391 GPRESSURE: 3897600 179.565 203.124 156.806 13.6289 178.643 6.72919 93.8826 -109.472 -218.253 PRESSAVG: 3897600 8.53909 -31.9364 -2.18161 -31.9363 -36.2776 17.2287 -2.18158 17.2286 0.0218611 GPRESSAVG: 3897600 7.03398 -29.6976 -1.48153 -33.3271 -35.6294 18.9571 -1.79959 14.2409 0.498555 TIMING: 3897600 CPU: 12176.4, 0.00310264/step Wall: 12176.4, 0.00310264/step, 0.950097 hours remaining, 234.519531 MB of memory in use. ENERGY: 3897600 3963.3531 20347.0251 14439.7160 267.2554 -203138.0470 2723.8774 0.0000 0.0000 51976.6212 -109420.1988 298.7104 -161396.8200 -109053.8702 298.8755 21.7011 46.6517 762346.2140 -9.2389 -9.3656 PRESSURE: 3897800 -313.108 58.0028 -45.3815 58.0023 353.412 124.493 -45.382 124.492 -161.78 GPRESSURE: 3897800 -228.255 55.4536 3.49731 168.919 323.466 135.52 -87.9544 198.298 -136.976 PRESSAVG: 3897800 -19.0304 7.04634 9.58719 7.04631 34.6726 3.319 9.58719 3.31904 -24.5555 GPRESSAVG: 3897800 -18.1785 8.53223 8.86846 6.08156 32.655 4.98644 8.13909 2.37654 -23.2821 TIMING: 3897800 CPU: 12177, 0.00310824/step Wall: 12177, 0.00310824/step, 0.951639 hours remaining, 234.519531 MB of memory in use. ENERGY: 3897800 3966.0045 20451.1014 14377.4865 259.1105 -203805.7844 3170.6670 0.0000 0.0000 52167.4883 -109413.9263 299.8073 -161581.4146 -109058.3828 299.0876 -40.4920 -13.9216 761449.2187 -2.9711 -2.9352 PRESSURE: 3898000 76.6043 181.036 -290.756 181.035 70.3154 -82.9268 -290.756 -82.928 -61.5738 GPRESSURE: 3898000 100.977 180.962 -311.122 182.88 37.8909 -86.9448 -193.838 -142.468 25.7961 PRESSAVG: 3898000 21.9271 -57.9829 31.296 -57.9829 -48.3948 -12.9655 31.296 -12.9654 9.73667 GPRESSAVG: 3898000 22.1414 -59.1805 32.105 -57.2527 -48.633 -15.0165 30.782 -10.8672 9.69223 TIMING: 3898000 CPU: 12177.6, 0.00309337/step Wall: 12177.6, 0.00309337/step, 0.946916 hours remaining, 234.519531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3898000 3970.3844 20615.1604 14446.8809 253.1848 -203803.5457 3025.0218 0.0000 0.0000 52061.4906 -109431.4229 299.1981 -161492.9135 -109072.0812 298.9733 28.4486 54.8882 761038.5902 -5.5770 -5.5998 PRESSURE: 3898200 -17.404 378.144 -65.3525 378.143 2.01714 -54.3256 -65.352 -54.3248 334.297 GPRESSURE: 3898200 38.4217 369.911 1.94075 378.67 64.4287 -116.042 -31.5325 -153.987 297.436 PRESSAVG: 3898200 -14.4936 60.6251 -13.4686 60.625 -40.9734 8.65548 -13.4686 8.65552 -24.8006 GPRESSAVG: 3898200 -16.0131 59.484 -13.7836 63.3121 -40.7058 8.25428 -11.1304 10.5396 -23.5201 TIMING: 3898200 CPU: 12178.2, 0.00310281/step Wall: 12178.2, 0.00310281/step, 0.949633 hours remaining, 234.519531 MB of memory in use. ENERGY: 3898200 4044.1835 20522.6263 14445.3083 256.7469 -203327.2776 2708.4784 0.0000 0.0000 52238.2190 -109111.7152 300.2138 -161349.9341 -108751.2963 299.2733 106.3034 133.4288 762863.3411 -26.7558 -26.7463 PRESSURE: 3898400 -322.118 66.8609 -18.1879 66.8605 -181.222 -13.2179 -18.1892 -13.2172 -133.581 GPRESSURE: 3898400 -148.865 -18.7336 -14.7334 59.2503 -282.666 5.38062 95.7389 -125.869 -120.703 PRESSAVG: 3898400 -26.4868 31.1201 -44.4796 31.1201 -39.8811 -0.99905 -44.4795 -0.999021 0.878403 GPRESSAVG: 3898400 -22.7508 31.5197 -44.1243 29.8557 -40.9741 -2.67766 -46.1614 -1.52266 -2.3318 TIMING: 3898400 CPU: 12178.8, 0.00311806/step Wall: 12178.8, 0.00311806/step, 0.954125 hours remaining, 234.519531 MB of memory in use. ENERGY: 3898400 4049.1761 20437.5855 14531.9813 258.1910 -203120.8760 2580.9678 0.0000 0.0000 52057.2344 -109205.7398 299.1736 -161262.9742 -108849.5647 299.2831 -212.3071 -184.0783 764025.7533 -21.8298 -22.0189 PRESSURE: 3898600 -466.015 -40.8425 63.5877 -40.8424 -361.544 10.664 63.5871 10.6632 -106.674 GPRESSURE: 3898600 -408.554 -69.2797 -8.7638 -33.2638 -364.759 -40.7251 69.0859 40.2847 -56.1537 PRESSAVG: 3898600 56.6268 10.0859 -6.48431 10.0859 -32.399 6.51769 -6.48426 6.51769 7.25873 GPRESSAVG: 3898600 53.6544 9.7892 -5.19432 9.77265 -31.8062 8.07712 -5.85217 5.58782 9.95721 TIMING: 3898600 CPU: 12179.5, 0.00311058/step Wall: 12179.5, 0.00311058/step, 0.951664 hours remaining, 234.519531 MB of memory in use. ENERGY: 3898600 4050.1409 20473.1185 14440.0926 219.2327 -203593.5094 2714.5481 0.0000 0.0000 52249.8506 -109446.5261 300.2806 -161696.3767 -109078.8157 299.4023 -311.4109 -276.4891 762119.0708 10.4955 10.6018 PRESSURE: 3898800 126.472 -54.2013 51.6027 -54.2007 -130.922 -58.9753 51.6034 -58.9761 -76.5766 GPRESSURE: 3898800 98.1361 114.945 -66.5116 30.9545 -64.0176 -79.5671 -6.49326 9.34148 -28.7669 PRESSAVG: 3898800 54.7775 16.2893 38.3543 16.2892 -7.67945 -15.3709 38.3543 -15.371 14.2645 GPRESSAVG: 3898800 55.5185 16.355 36.3654 16.6315 -7.60547 -13.1393 39.0294 -15.3174 13.0281 TIMING: 3898800 CPU: 12180.1, 0.00310633/step Wall: 12180.1, 0.00310633/step, 0.950191 hours remaining, 234.496094 MB of memory in use. ENERGY: 3898800 4008.8572 20535.8102 14406.7708 241.5405 -203759.9435 2927.4141 0.0000 0.0000 52050.6546 -109588.8961 299.1358 -161639.5507 -109235.7717 299.1629 -27.0092 1.7838 761224.8920 20.4542 20.3137 PRESSURE: 3899000 -169.451 49.4241 -177.581 49.4246 14.7759 62.6679 -177.581 62.6671 -382.039 GPRESSURE: 3899000 -127.755 16.2435 -81.9383 39.6873 20.4054 158.355 -262.7 -65.8107 -351.66 PRESSAVG: 3899000 53.0114 1.10906 10.7059 1.10907 8.21838 23.8277 10.706 23.8278 9.01744 GPRESSAVG: 3899000 52.5074 -1.4692 10.9605 0.284198 9.08051 22.3844 8.86921 22.345 8.54464 TIMING: 3899000 CPU: 12180.7, 0.00312443/step Wall: 12180.7, 0.00312443/step, 0.955555 hours remaining, 234.496094 MB of memory in use. ENERGY: 3899000 3943.5840 20583.0106 14379.9864 260.5958 -203357.8859 2529.3578 0.0000 0.0000 52251.5616 -109409.7897 300.2904 -161661.3513 -109052.9951 299.2464 -178.9046 -153.0032 760743.8920 23.4157 23.3775 PRESSURE: 3899200 -447.416 87.6053 -50.0554 87.6049 30.4705 142.226 -50.0554 142.225 135.954 GPRESSURE: 3899200 -296.383 90.8491 -14.6343 56.129 -37.9716 201.927 -68.2179 161.278 157.246 PRESSAVG: 3899200 50.5529 -12.1763 22.1677 -12.1763 -69.6582 -17.3535 22.1678 -17.3535 -6.72614 GPRESSAVG: 3899200 53.016 -8.50899 23.2044 -12.837 -71.6902 -16.6684 24.6949 -15.7161 -6.83973 TIMING: 3899200 CPU: 12181.3, 0.00314881/step Wall: 12181.3, 0.00314881/step, 0.962837 hours remaining, 234.496094 MB of memory in use. ENERGY: 3899200 3977.2363 20487.9956 14448.4849 266.6637 -203112.4036 2463.4684 0.0000 0.0000 52049.1968 -109419.3579 299.1274 -161468.5547 -109061.7263 299.4154 -93.6639 -59.0360 762383.5978 -8.6105 -8.5046 PRESSURE: 3899400 78.3482 -81.2248 269.325 -81.2245 -231.29 -40.3717 269.326 -40.3715 -133.39 GPRESSURE: 3899400 90.3741 -102.217 254.434 -149.071 -122.858 -33.5877 254.028 -18.389 -176.866 PRESSAVG: 3899400 37.3496 -19.8293 40.9836 -19.8293 -45.7378 29.0062 40.9836 29.0063 16.1559 GPRESSAVG: 3899400 36.141 -23.4418 41.7259 -20.7111 -44.313 27.9021 37.2412 27.8328 15.3141 TIMING: 3899400 CPU: 12182, 0.00310371/step Wall: 12182, 0.00310371/step, 0.948874 hours remaining, 234.496094 MB of memory in use. ENERGY: 3899400 4032.6917 20507.7875 14443.5120 258.5434 -203326.9645 2716.1688 0.0000 0.0000 51968.7288 -109399.5323 298.6650 -161368.2611 -109048.4576 299.3986 -95.4440 -69.7834 762660.5722 2.5892 2.3807 PRESSURE: 3899600 -170.224 -160.524 241.158 -160.524 10.5987 -128.855 241.158 -128.854 198.438 GPRESSURE: 3899600 -25.6958 -147.619 256.799 -176.168 -36.4171 -39.6985 122.958 -91.4529 187.627 PRESSAVG: 3899600 -5.63805 -26.4735 54.7516 -26.4734 -5.77885 -0.685195 54.7515 -0.685236 21.2379 GPRESSAVG: 3899600 -6.51148 -24.9167 53.6875 -24.231 -6.0349 -0.485731 57.0486 -1.03157 22.4563 TIMING: 3899600 CPU: 12182.6, 0.003111/step Wall: 12182.6, 0.003111/step, 0.950928 hours remaining, 234.496094 MB of memory in use. ENERGY: 3899600 3897.8659 20586.9490 14513.6893 263.1533 -203865.8985 3152.9790 0.0000 0.0000 51848.6054 -109602.6565 297.9746 -161451.2619 -109238.2480 298.8226 12.9378 41.8379 762661.6218 3.2737 3.3033 PRESSURE: 3899800 20.8589 8.50346 182.11 8.50403 446.704 122.291 182.109 122.291 -106.937 GPRESSURE: 3899800 109.573 -71.6156 122.766 -1.00593 440.508 113.141 342.008 92.5262 -107.684 PRESSAVG: 3899800 35.0195 -18.2582 47.3543 -18.2582 -19.5749 13.4941 47.3543 13.4942 -14.7608 GPRESSAVG: 3899800 35.9798 -16.9689 47.3471 -18.4219 -19.9825 13.6151 45.2383 16.1325 -15.1662 TIMING: 3899800 CPU: 12183.2, 0.00310609/step Wall: 12183.2, 0.00310609/step, 0.949255 hours remaining, 234.496094 MB of memory in use. ENERGY: 3899800 3959.4946 20491.3486 14406.8320 269.3593 -203222.0826 2529.1212 0.0000 0.0000 51703.7281 -109862.1989 297.1420 -161565.9269 -109498.6296 298.2943 120.2087 147.4657 761733.5493 0.2280 0.2770 WRITING VELOCITIES TO RESTART FILE AT STEP 3900000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3900000 369.817 21.4633 2.82051 21.4636 142.607 86.3454 2.82086 86.3451 -40.5839 GPRESSURE: 3900000 423.184 23.1212 33.8385 46.1061 129.475 111.08 -96.3593 -92.2127 12.8296 PRESSAVG: 3900000 10.8112 -6.28584 -28.4146 -6.28582 -14.9405 5.51512 -28.4147 5.51513 -8.5782 GPRESSAVG: 3900000 10.6042 -7.02921 -30.4071 -7.92373 -15.1335 6.27235 -25.5616 4.82143 -8.33794 TIMING: 3900000 CPU: 12183.8, 0.00315961/step Wall: 12183.8, 0.00315961/step, 0.965437 hours remaining, 234.496094 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: 3900000 3908.3513 20460.1864 14390.5591 232.9432 -203653.4950 2902.7342 0.0000 0.0000 52053.4635 -109705.2573 299.1520 -161758.7209 -109342.3763 298.0308 157.2799 188.4960 760755.3629 -4.2358 -4.2891 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3900000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 3900000 WRITING COORDINATES TO RESTART FILE AT STEP 3900000 FINISHED WRITING RESTART COORDINATES PRESSURE: 3900200 -100.401 15.5855 -21.7928 15.5842 106.234 103.182 -21.7928 103.182 -342.465 GPRESSURE: 3900200 -21.8843 -39.2315 -37.0413 65.7542 88.5414 162.329 -12.855 10.495 -304.828 PRESSAVG: 3900200 51.1343 -12.3272 7.07581 -12.3272 -43.8222 50.4574 7.07583 50.4574 -6.16234 GPRESSAVG: 3900200 50.4171 -12.8725 8.02982 -12.7088 -44.1868 50.479 4.80868 48.5299 -5.26768 TIMING: 3900200 CPU: 12184.5, 0.00321263/step Wall: 12184.5, 0.00321263/step, 0.981459 hours remaining, 234.496094 MB of memory in use. ENERGY: 3900200 3950.7087 20406.4209 14461.5448 260.2111 -203441.6372 2785.2681 0.0000 0.0000 52021.3430 -109556.1407 298.9674 -161577.4836 -109199.9403 298.6034 -112.2107 -79.3904 762394.2294 0.3833 0.3209 LDB: ============= START OF LOAD BALANCING ============== 12197 LDB: ============== END OF LOAD BALANCING =============== 12197 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12197 LDB: ============= START OF LOAD BALANCING ============== 12197.3 LDB: Largest compute 6981 load 0.027856 is 14.3% of average load 0.195297 LDB: Average compute 0.004352 is 2.2% of average load 0.195297 LDB: TIME 12197.3 LOAD: AVG 0.195297 MAX 0.213717 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.348 MB LDB: TIME 12197.3 LOAD: AVG 0.195297 MAX 0.213717 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.348 MB LDB: TIME 12197.3 LOAD: AVG 0.195297 MAX 0.213717 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.348 MB LDB: ============== END OF LOAD BALANCING =============== 12197.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12197.3 PRESSURE: 3900400 -334.888 261.465 36.3885 261.464 -263.177 -98.6347 36.3886 -98.6338 -150.343 GPRESSURE: 3900400 -274.345 289.977 88.8739 167.229 -216.176 -139.376 20.4208 37.5014 -166.677 PRESSAVG: 3900400 6.48707 23.4726 -5.27087 23.4726 -21.8772 18.8069 -5.2708 18.8069 10.4045 GPRESSAVG: 3900400 5.99105 21.6895 -5.47135 26.0674 -20.1862 18.0633 -2.80357 22.1187 9.67326 TIMING: 3900400 CPU: 12185.1, 0.00317897/step Wall: 12185.1, 0.00317897/step, 0.970999 hours remaining, 234.238281 MB of memory in use. ENERGY: 3900400 4075.7705 20442.8510 14412.8837 237.4356 -203504.9497 2846.9505 0.0000 0.0000 52007.6734 -109481.3848 298.8888 -161489.0582 -109117.2257 298.7527 -249.4695 -219.0662 764455.9200 -1.6619 -1.5073 PRESSURE: 3900600 169.894 42.2436 -26.0895 42.2434 -135.259 -108.069 -26.0896 -108.069 -233.328 GPRESSURE: 3900600 124.939 42.9848 -107.046 42.399 -92.5989 -85.8869 -245.225 -120.737 -151.37 PRESSAVG: 3900600 50.913 -40.2285 26.7419 -40.2284 -56.5272 -4.08691 26.7418 -4.0869 -7.19403 GPRESSAVG: 3900600 51.9716 -36.9232 28.2087 -43.0536 -57.5484 -3.91424 23.2972 -5.9868 -7.02996 TIMING: 3900600 CPU: 12185.7, 0.00311011/step Wall: 12185.7, 0.00311011/step, 0.949794 hours remaining, 234.441406 MB of memory in use. ENERGY: 3900600 4030.3345 20429.3269 14488.9906 258.4092 -203283.4437 2833.3703 0.0000 0.0000 51832.7665 -109410.2459 297.8836 -161243.0123 -109057.7909 299.1278 -66.2309 -39.6767 762202.3247 -4.2694 -4.2022 PRESSURE: 3900800 257.686 -124.586 106.911 -124.586 247.816 -77.989 106.911 -77.9896 495.981 GPRESSURE: 3900800 308.127 -190.597 193.183 -182.452 313.289 -84.1685 -8.25151 -118.431 472.309 PRESSAVG: 3900800 40.4125 -39.7235 46.9008 -39.7235 -70.5584 -36.6212 46.9007 -36.6212 -8.75609 GPRESSAVG: 3900800 40.4695 -41.5866 45.4094 -37.796 -69.8942 -36.4743 47.873 -35.8365 -9.70083 TIMING: 3900800 CPU: 12186.4, 0.0030807/step Wall: 12186.4, 0.0030807/step, 0.940639 hours remaining, 234.453125 MB of memory in use. ENERGY: 3900800 3874.0991 20343.8527 14572.6791 262.8909 -203584.8091 3076.9916 0.0000 0.0000 52168.6873 -109285.6084 299.8142 -161454.2957 -108917.5851 298.8602 333.8277 364.5751 762746.1130 -12.9673 -13.0419 PRESSURE: 3901000 -321.643 -150.325 149.294 -150.324 201.956 63.9666 149.295 63.9674 -318.85 GPRESSURE: 3901000 -238.911 -127.642 166.974 -65.1975 168.104 92.2423 193.002 -31.4595 -300.783 PRESSAVG: 3901000 48.5365 -78.1031 -11.1802 -78.1031 5.9631 -50.0227 -11.1803 -50.0226 7.24846 GPRESSAVG: 3901000 48.7193 -78.6247 -11.3214 -79.0879 4.30115 -50.0135 -9.83151 -52.0265 8.97716 TIMING: 3901000 CPU: 12187, 0.00311498/step Wall: 12187, 0.00311498/step, 0.950933 hours remaining, 234.453125 MB of memory in use. ENERGY: 3901000 3993.2248 20637.6437 14447.2652 229.8306 -202892.9308 2557.7745 0.0000 0.0000 52026.0006 -109001.1915 298.9941 -161027.1921 -108651.3345 298.9412 -146.1791 -123.8634 762479.7946 20.5827 20.6659 PRESSURE: 3901200 -90.9586 -30.5264 -89.5484 -30.5271 -235.003 -25.3376 -89.5476 -25.3371 -155.57 GPRESSURE: 3901200 -32.6919 -122.979 -88.7205 -130.353 -219.487 -49.6223 0.362888 81.0292 -145.051 PRESSAVG: 3901200 54.2791 -14.3251 2.8128 -14.3251 -27.7072 23.1105 2.8128 23.1105 -9.39267 GPRESSAVG: 3901200 53.5926 -12.5054 2.20916 -15.5503 -26.8466 23.1764 3.40505 24.4623 -9.35324 TIMING: 3901200 CPU: 12187.6, 0.00313789/step Wall: 12187.6, 0.00313789/step, 0.957754 hours remaining, 234.453125 MB of memory in use. ENERGY: 3901200 4014.4307 20572.7171 14560.6303 253.1246 -203202.0470 2714.4555 0.0000 0.0000 51925.7427 -109160.9460 298.4180 -161086.6887 -108798.6333 299.2314 -160.5104 -132.4099 763865.1157 5.7264 5.7976 PRESSURE: 3901400 -7.87052 -180.61 253.629 -180.61 -43.2812 157.517 253.629 157.517 291.188 GPRESSURE: 3901400 -16.174 -241.691 214.784 -152.131 -33.1785 76.1196 155.558 161.848 373.493 PRESSAVG: 3901400 -0.204688 -56.9537 -3.77529 -56.9537 6.91732 -22.9678 -3.77532 -22.9678 -6.57591 GPRESSAVG: 3901400 -0.660881 -58.6674 -2.45761 -54.9638 7.90639 -22.2573 -5.6222 -24.86 -7.21162 TIMING: 3901400 CPU: 12188.2, 0.00313399/step Wall: 12188.2, 0.00313399/step, 0.95639 hours remaining, 234.453125 MB of memory in use. ENERGY: 3901400 3996.7639 20709.5141 14538.9783 268.2668 -203481.4216 2790.4465 0.0000 0.0000 52038.8371 -109138.6149 299.0679 -161177.4521 -108782.7649 299.5227 80.0120 108.0469 762830.1651 0.0456 0.0113 PRESSURE: 3901600 135.621 -67.0882 -114.814 -67.0884 27.1898 198.069 -114.814 198.069 374.801 GPRESSURE: 3901600 154.805 61.415 -7.46922 -73.523 128.152 172.074 -39.9452 104.286 333.686 PRESSAVG: 3901600 39.6496 0.521758 30.104 0.521752 5.29171 -25.3652 30.104 -25.3652 -31.0187 GPRESSAVG: 3901600 39.3145 2.37578 29.8321 -0.169042 4.42985 -26.5024 29.738 -24.5139 -30.4539 TIMING: 3901600 CPU: 12188.9, 0.00310977/step Wall: 12188.9, 0.00310977/step, 0.948826 hours remaining, 234.453125 MB of memory in use. ENERGY: 3901600 3997.7752 20759.0617 14492.9388 262.2382 -203664.8674 3064.9684 0.0000 0.0000 52053.8945 -109033.9906 299.1544 -161087.8851 -108678.4203 299.8285 179.2038 205.5479 761937.5894 4.6409 4.4301 PRESSURE: 3901800 219.897 -1.50145 -21.5093 -1.5021 93.2142 88.0109 -21.5102 88.0109 -91.502 GPRESSURE: 3901800 176.608 50.1195 -65.7052 -1.33158 185.502 74.0868 -119.445 33.3681 -52.4007 PRESSAVG: 3901800 85.329 -10.1505 28.3377 -10.1505 -85.0275 31.6419 28.3377 31.6419 13.8485 GPRESSAVG: 3901800 84.7375 -10.0117 26.7283 -10.8029 -83.44 32.4395 29.0208 33.1401 12.9033 TIMING: 3901800 CPU: 12189.5, 0.00311575/step Wall: 12189.5, 0.00311575/step, 0.950477 hours remaining, 234.453125 MB of memory in use. ENERGY: 3901800 4016.4452 20637.0805 14466.2824 269.6427 -203712.0274 2905.2555 0.0000 0.0000 52343.7901 -109073.5310 300.8205 -161417.3211 -108709.0861 299.7665 73.8698 103.2366 762554.7589 4.7167 4.7336 PRESSURE: 3902000 104.432 21.8868 16.3226 21.8868 101.907 -174.27 16.3234 -174.271 200.419 GPRESSURE: 3902000 188.619 -37.6396 18.935 59.7213 139.383 -158.542 139.108 5.02758 187.881 PRESSAVG: 3902000 18.9342 -21.9481 12.7704 -21.9481 -11.5208 39.4655 12.7704 39.4655 12.007 GPRESSAVG: 3902000 19.1557 -22.3849 14.3688 -21.437 -12.8092 40.1841 10.9601 37.3692 12.9102 TIMING: 3902000 CPU: 12190.1, 0.00310841/step Wall: 12190.1, 0.00310841/step, 0.948064 hours remaining, 234.453125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3902000 4065.4905 20627.5515 14358.7793 241.3132 -203187.2531 2710.4804 0.0000 0.0000 51949.7278 -109233.9104 298.5558 -161183.6382 -108876.0792 299.7969 135.5860 171.9613 763350.1238 6.4735 6.4189 PRESSURE: 3902200 -203.77 -205.472 -47.0521 -205.472 72.237 -101.456 -47.0517 -101.458 -295.96 GPRESSURE: 3902200 -113.226 -243.971 36.6214 -248.379 85.9713 -158.247 70.8369 49.6752 -314.599 PRESSAVG: 3902200 -7.60066 -41.9482 -41.4296 -41.9482 -18.7118 -38.2507 -41.4296 -38.2507 7.70807 GPRESSAVG: 3902200 -7.34945 -43.3012 -41.3248 -41.4893 -17.9106 -40.2719 -38.7522 -36.5838 6.76648 TIMING: 3902200 CPU: 12190.7, 0.00309825/step Wall: 12190.7, 0.00309825/step, 0.944793 hours remaining, 234.453125 MB of memory in use. ENERGY: 3902200 3977.0162 20663.7013 14433.3658 252.4163 -203332.7615 2759.8173 0.0000 0.0000 51744.0617 -109502.3829 297.3738 -161246.4446 -109141.5759 299.0641 -142.4977 -113.9514 762197.7990 -6.2015 -6.1645 PRESSURE: 3902400 -79.7856 18.5159 -270.259 18.5156 237.132 -55.1445 -270.259 -55.144 92.9467 GPRESSURE: 3902400 -96.0752 -66.9808 -308.266 123.55 282.766 -125.139 -302.098 -85.0558 164.978 PRESSAVG: 3902400 18.6862 -15.3951 -48.6529 -15.3951 -8.83273 -46.0078 -48.6529 -46.0079 -17.2591 GPRESSAVG: 3902400 19.1407 -14.0266 -48.3832 -16.5485 -10.5026 -46.1626 -51.7914 -44.4575 -16.2884 TIMING: 3902400 CPU: 12191.3, 0.00311751/step Wall: 12191.3, 0.00311751/step, 0.950493 hours remaining, 234.453125 MB of memory in use. ENERGY: 3902400 3895.8816 20420.4873 14334.9496 258.3750 -203291.0312 2705.0095 0.0000 0.0000 51944.0249 -109732.3034 298.5230 -161676.3282 -109370.3982 298.3597 83.4310 117.2230 760114.8609 -2.4685 -2.5501 PRESSURE: 3902600 94.8203 58.6699 -55.9284 58.6701 -220.347 153.572 -55.9286 153.571 247.515 GPRESSURE: 3902600 196.524 -9.1673 -62.8434 83.6663 -152.587 217.761 21.2339 188.035 166.797 PRESSAVG: 3902600 24.6869 -35.7278 14.7607 -35.7279 -27.043 -19.5342 14.7607 -19.5342 12.8948 GPRESSAVG: 3902600 24.474 -35.5825 12.7867 -36.4963 -26.791 -18.3528 17.4251 -19.7038 12.9482 TIMING: 3902600 CPU: 12192, 0.00309166/step Wall: 12192, 0.00309166/step, 0.94244 hours remaining, 234.453125 MB of memory in use. ENERGY: 3902600 4015.3991 20463.5631 14409.4205 245.8720 -203001.1302 2416.1286 0.0000 0.0000 51751.1249 -109699.6219 297.4144 -161450.7468 -109339.1567 298.4003 40.6627 70.2446 761433.2106 3.5129 3.5437 PRESSURE: 3902800 50.2917 -93.1812 -16.8467 -93.1804 -156.957 52.2445 -16.8461 52.2443 -455.121 GPRESSURE: 3902800 78.5604 -64.316 -20.0683 -142.868 -88.7527 29.4718 14.4919 65.9285 -464.215 PRESSAVG: 3902800 23.7731 3.4756 -3.35282 3.47559 -28.9753 5.03842 -3.35279 5.03847 -4.93536 GPRESSAVG: 3902800 23.9169 2.20762 -2.47212 6.36639 -28.1807 5.43495 -4.01843 3.79991 -5.37765 TIMING: 3902800 CPU: 12192.6, 0.00310578/step Wall: 12192.6, 0.00310578/step, 0.946572 hours remaining, 234.453125 MB of memory in use. ENERGY: 3902800 3976.4844 20561.0684 14422.2994 247.8206 -203651.8911 2928.1894 0.0000 0.0000 52017.8493 -109498.1795 298.9473 -161516.0289 -109139.9756 298.7758 -187.2622 -158.1359 760370.3047 -3.3792 -3.2138 PRESSURE: 3903000 18.5114 4.40292 -20.8544 4.40334 -70.7082 -5.69676 -20.8545 -5.69818 324.361 GPRESSURE: 3903000 27.7955 91.0017 8.75057 48.7396 -27.2147 -139.508 -13.6912 16.056 358.002 PRESSAVG: 3903000 34.0373 23.3735 -37.5442 23.3736 1.68517 -30.0942 -37.5441 -30.0943 -1.06201 GPRESSAVG: 3903000 33.0687 25.6668 -36.7456 22.784 1.21593 -30.9073 -37.5218 -30.2982 0.157931 TIMING: 3903000 CPU: 12193.2, 0.00311828/step Wall: 12193.2, 0.00311828/step, 0.95021 hours remaining, 234.453125 MB of memory in use. ENERGY: 3903000 4000.9460 20575.0235 14442.7310 259.1980 -203081.4773 2454.7844 0.0000 0.0000 51953.6474 -109395.1469 298.5783 -161348.7943 -109028.6294 299.5316 90.7213 119.5276 761677.8601 11.5535 11.4809 PRESSURE: 3903200 -17.0457 213.588 56.2948 213.588 337.85 45.9372 56.2953 45.9373 259.735 GPRESSURE: 3903200 -78.8656 251.71 74.3099 139.929 407.088 100.366 -43.7049 106.626 311.902 PRESSAVG: 3903200 41.429 -6.40465 -54.0676 -6.40458 -24.5063 42.1558 -54.0676 42.1559 2.31466 GPRESSAVG: 3903200 40.5212 -9.1252 -54.5576 -6.0541 -23.2763 43.191 -54.1287 43.5682 1.88037 TIMING: 3903200 CPU: 12193.8, 0.00313104/step Wall: 12193.8, 0.00313104/step, 0.953924 hours remaining, 234.453125 MB of memory in use. ENERGY: 3903200 3980.0545 20629.6846 14433.0309 250.1281 -203733.2972 2753.9677 0.0000 0.0000 52225.3811 -109461.0504 300.1400 -161686.4315 -109105.5606 298.9090 193.5130 213.3746 760226.3916 6.4124 6.3751 PRESSURE: 3903400 369.159 -118.514 -146.015 -118.515 -179.495 58.1832 -146.015 58.1828 74.5733 GPRESSURE: 3903400 442.052 -95.4749 -21.3318 -6.68641 -54.9188 -128.017 -46.1843 60.1128 -41.1394 PRESSAVG: 3903400 42.1117 38.7507 13.1293 38.7507 -9.21328 39.1986 13.1292 39.1986 -0.000229307 GPRESSAVG: 3903400 43.7959 41.312 14.5405 36.2212 -9.52763 38.0899 10.6853 38.4901 -1.26818 TIMING: 3903400 CPU: 12194.5, 0.00311318/step Wall: 12194.5, 0.00311318/step, 0.948309 hours remaining, 234.453125 MB of memory in use. ENERGY: 3903400 3943.6113 20383.7829 14382.4461 243.7463 -203128.3409 2599.2715 0.0000 0.0000 52034.0139 -109541.4689 299.0402 -161575.4828 -109169.5493 299.1733 88.0791 115.3313 760031.5536 10.9661 11.0000 PRESSURE: 3903600 143.203 70.5206 -67.3971 70.5203 -39.8863 -19.6531 -67.3967 -19.6538 12.9876 GPRESSURE: 3903600 89.751 105.137 -19.1226 50.5194 80.15 1.14904 -19.6912 -1.46577 19.7417 PRESSAVG: 3903600 5.87649 -1.72931 -42.9838 -1.72931 -43.1689 18.6473 -42.9837 18.6474 -32.2393 GPRESSAVG: 3903600 6.82775 -2.60091 -45.0298 -0.174313 -43.5903 18.1928 -39.2576 19.6153 -32.3897 TIMING: 3903600 CPU: 12195.1, 0.00310286/step Wall: 12195.1, 0.00310286/step, 0.944993 hours remaining, 234.453125 MB of memory in use. ENERGY: 3903600 3923.6752 20461.8758 14373.6474 249.8002 -203090.6015 2659.8394 0.0000 0.0000 51919.5977 -109502.1658 298.3826 -161421.7635 -109129.1341 298.7106 38.7682 63.2142 760513.7321 -23.1772 -23.0507 PRESSURE: 3903800 111.077 112.352 21.4267 112.353 -305.626 -97.9552 21.4262 -97.9543 126.636 GPRESSURE: 3903800 75.5116 90.2265 130.335 92.709 -222.823 -90.5519 -151.903 -48.6642 150.996 PRESSAVG: 3903800 38.0078 27.4598 21.3453 27.4597 -39.7529 25.5363 21.3453 25.5363 3.30998 GPRESSAVG: 3903800 34.8155 26.5147 20.8064 26.0115 -36.4832 27.3519 19.5858 23.7036 3.86516 TIMING: 3903800 CPU: 12195.7, 0.00309555/step Wall: 12195.7, 0.00309555/step, 0.942596 hours remaining, 234.453125 MB of memory in use. ENERGY: 3903800 4004.2807 20563.0984 14298.3065 243.6969 -203402.6632 2571.4678 0.0000 0.0000 51922.9725 -109798.8404 298.4020 -161721.8128 -109434.7337 298.2551 -22.6378 1.2281 760941.9874 0.5216 0.7325 PRESSURE: 3904000 -229.435 245.487 147.094 245.488 303.753 66.9121 147.094 66.9134 168.576 GPRESSURE: 3904000 -103.723 184.592 107.011 260.077 229.987 33.1485 196.367 67.9744 217.973 PRESSAVG: 3904000 45.3761 29.1958 20.5196 29.1958 -23.2866 9.88815 20.5196 9.88815 4.90809 GPRESSAVG: 3904000 47.4483 29.2756 21.4937 29.6911 -25.9696 8.70833 19.4111 11.2436 5.53339 TIMING: 3904000 CPU: 12196.3, 0.0031063/step Wall: 12196.3, 0.0031063/step, 0.945697 hours remaining, 234.453125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3904000 4004.2126 20539.4832 14363.7967 230.1036 -203604.2115 2803.0134 0.0000 0.0000 51664.8552 -109998.7466 296.9186 -161663.6019 -109644.8272 297.9702 80.9646 114.7456 757871.9375 8.9992 9.0040 PRESSURE: 3904200 -366.037 -36.0046 -196.833 -36.0046 -88.4601 -185.719 -196.833 -185.719 70.3662 GPRESSURE: 3904200 -305.861 43.4982 -124.532 -5.28822 -84.4998 -129.893 -224.783 -190.572 96.463 PRESSAVG: 3904200 -8.40841 68.2338 18.4557 68.2338 -4.4892 17.7075 18.4557 17.7075 -21.2625 GPRESSAVG: 3904200 -8.86409 68.0281 18.2836 71.9914 -3.70114 19.4633 19.7773 15.416 -21.9351 TIMING: 3904200 CPU: 12196.9, 0.00312211/step Wall: 12196.9, 0.00312212/step, 0.950337 hours remaining, 234.453125 MB of memory in use. ENERGY: 3904200 4053.3138 20448.8662 14434.4932 252.7316 -203423.8200 2600.8250 0.0000 0.0000 51845.4108 -109788.1793 297.9563 -161633.5901 -109430.3276 297.9237 -128.0437 -97.9660 760030.6845 -11.3867 -11.5001 LDB: ============= START OF LOAD BALANCING ============== 12209.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12209.4 LDB: =============== DONE WITH MIGRATION ================ 12209.4 LDB: ============= START OF LOAD BALANCING ============== 12209.7 LDB: Largest compute 7007 load 0.028785 is 14.7% of average load 0.195367 LDB: Average compute 0.004365 is 2.2% of average load 0.195367 LDB: TIME 12209.7 LOAD: AVG 0.195367 MAX 0.212423 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.934 MB LDB: TIME 12209.7 LOAD: AVG 0.195367 MAX 0.212423 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.934 MB LDB: TIME 12209.7 LOAD: AVG 0.195367 MAX 0.212423 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.934 MB LDB: ============== END OF LOAD BALANCING =============== 12209.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12209.7 PRESSURE: 3904400 -139.422 -50.2165 -112.234 -50.2172 93.3199 327.065 -112.235 327.066 -373.774 GPRESSURE: 3904400 -131.369 -46.1297 -8.89431 -51.1843 227.848 324.686 -149.941 205.126 -458.407 PRESSAVG: 3904400 -8.76277 36.1787 29.3546 36.1787 64.7395 50.2951 29.3546 50.295 12.537 GPRESSAVG: 3904400 -8.57433 37.4167 31.0396 34.5831 64.3015 48.3387 27.7396 51.2707 13.0978 TIMING: 3904400 CPU: 12197.6, 0.00317726/step Wall: 12197.6, 0.00317726/step, 0.966945 hours remaining, 234.316406 MB of memory in use. ENERGY: 3904400 3966.3380 20556.2398 14435.6477 250.0469 -203578.1933 2591.1654 0.0000 0.0000 51980.4674 -109798.2882 298.7325 -161778.7557 -109432.9285 298.4428 -139.9587 -120.6426 760417.2689 22.8379 22.9417 PRESSURE: 3904600 -307.083 -144.884 -29.9403 -144.884 81.0965 -13.2714 -29.9392 -13.272 -17.6166 GPRESSURE: 3904600 -254.541 -159.319 -140.871 -174.689 102.119 64.7561 -41.8948 -180.37 -16.194 PRESSAVG: 3904600 3.1976 1.46368 -45.9755 1.4637 -3.0301 6.40625 -45.9755 6.40627 -14.0138 GPRESSAVG: 3904600 3.14068 0.451977 -46.4606 -0.80795 -2.34167 8.68853 -44.1893 6.58556 -14.89 TIMING: 3904600 CPU: 12198.2, 0.00310908/step Wall: 12198.2, 0.00310908/step, 0.946024 hours remaining, 234.761719 MB of memory in use. ENERGY: 3904600 4047.5509 20484.4610 14463.4185 243.9590 -203829.4355 2975.0053 0.0000 0.0000 51900.7115 -109714.3293 298.2741 -161615.0408 -109360.5284 298.6230 -81.2010 -56.2053 761746.6330 -4.6154 -4.6970 PRESSURE: 3904800 81.2579 21.1962 10.4787 21.1964 -36.3877 92.5636 10.4791 92.5623 99.1573 GPRESSURE: 3904800 171.387 50.7598 -23.6986 -8.43552 -79.1138 62.7984 18.7197 184.123 150.553 PRESSAVG: 3904800 52.5958 5.54411 -15.5926 5.54409 -44.1554 -13.1609 -15.5926 -13.161 13.6119 GPRESSAVG: 3904800 51.6883 5.46084 -15.9486 7.88793 -44.0811 -15.7276 -17.4069 -11.2284 14.734 TIMING: 3904800 CPU: 12198.8, 0.0030902/step Wall: 12198.8, 0.0030902/step, 0.940108 hours remaining, 234.761719 MB of memory in use. ENERGY: 3904800 3997.3192 20664.2182 14435.6393 238.0350 -203829.5166 2883.7281 0.0000 0.0000 51840.2900 -109770.2867 297.9269 -161610.5767 -109414.9077 298.5252 48.0092 80.9418 761873.0183 7.3507 7.4471 PRESSURE: 3905000 -405.1 202.734 -100.391 202.734 -306.063 -25.377 -100.391 -25.3776 -423.284 GPRESSURE: 3905000 -260.727 308.757 -72.2241 3.66615 -346.215 6.70585 -157.557 -5.83367 -436.037 PRESSAVG: 3905000 19.7832 7.80143 -4.28178 7.80142 18.5783 41.0475 -4.28176 41.0474 1.33721 GPRESSAVG: 3905000 21.4304 8.30602 -5.08607 6.0496 18.0382 42.0589 -3.42718 40.8534 0.01808 TIMING: 3905000 CPU: 12199.4, 0.00310635/step Wall: 12199.4, 0.00310635/step, 0.944848 hours remaining, 234.761719 MB of memory in use. ENERGY: 3905000 3923.8515 20480.6584 14439.6376 245.3749 -203086.2268 2536.6206 0.0000 0.0000 51734.6308 -109725.4530 297.3196 -161460.0838 -109346.7529 298.2700 -378.1488 -347.6599 763546.0227 13.2329 13.1622 PRESSURE: 3905200 -122.043 72.8044 -168.913 72.8047 -126.443 346.475 -168.913 346.476 -462.418 GPRESSURE: 3905200 -143.626 -11.7022 -155.087 -13.7304 -111.969 333.852 -273.575 255.522 -385.814 PRESSAVG: 3905200 29.1026 -37.3668 -15.4105 -37.3668 -57.3075 32.1622 -15.4105 32.1622 -2.55682 GPRESSAVG: 3905200 28.1625 -37.5958 -16.077 -37.4022 -58.4227 31.9664 -15.7031 31.5618 -0.642663 TIMING: 3905200 CPU: 12200, 0.00307586/step Wall: 12200, 0.00307586/step, 0.935403 hours remaining, 234.761719 MB of memory in use. ENERGY: 3905200 3949.9864 20524.5041 14358.1921 229.5258 -203613.4462 2813.1438 0.0000 0.0000 52182.0809 -109556.0131 299.8911 -161738.0940 -109194.8119 298.8831 -236.9678 -213.8028 763432.9507 -10.2539 -10.3010 PRESSURE: 3905400 91.804 -8.2461 -27.796 -8.24591 -276.66 -53.3098 -27.7956 -53.309 -73.8615 GPRESSURE: 3905400 184.16 -35.1489 -115.298 -53.1715 -250.406 -70.1352 32.9891 -43.6664 -111.056 PRESSAVG: 3905400 -8.03889 -22.4662 11.8725 -22.4662 34.129 17.4877 11.8724 17.4876 10.5202 GPRESSAVG: 3905400 -6.91101 -22.6142 13.2215 -21.8702 34.4818 18.3538 11.4592 16.2715 8.52879 TIMING: 3905400 CPU: 12200.7, 0.00309417/step Wall: 12200.7, 0.00309417/step, 0.9408 hours remaining, 234.761719 MB of memory in use. ENERGY: 3905400 3972.0038 20584.7399 14406.7227 232.9550 -203218.8065 2746.0746 0.0000 0.0000 51729.6861 -109546.6243 297.2912 -161276.3105 -109192.4945 298.4502 -86.2392 -59.1007 763934.1972 12.2034 12.0332 PRESSURE: 3905600 15.0125 -194.638 72.0654 -194.638 95.5729 -53.3723 72.065 -53.3719 7.55034 GPRESSURE: 3905600 21.2722 -61.0795 77.8609 -71.1414 206.912 -79.451 96.1084 42.4382 -18.3002 PRESSAVG: 3905600 4.58818 -11.0434 19.7374 -11.0434 47.5454 -0.604421 19.7374 -0.604407 2.86447 GPRESSAVG: 3905600 3.5798 -11.2977 19.79 -12.4807 48.2041 -0.440511 19.4384 0.747655 3.45929 TIMING: 3905600 CPU: 12201.3, 0.00310293/step Wall: 12201.3, 0.00310293/step, 0.94329 hours remaining, 234.761719 MB of memory in use. ENERGY: 3905600 3935.1180 20607.9090 14399.4385 222.7542 -203783.4240 3018.2341 0.0000 0.0000 52011.5642 -109588.4060 298.9112 -161599.9702 -109214.8160 298.5167 39.3786 69.9614 763370.9008 18.3327 18.4144 PRESSURE: 3905800 518.366 -16.7853 22.2189 -16.7846 233.891 419.628 22.2185 419.629 386.08 GPRESSURE: 3905800 545.744 -11.1262 -31.9913 -87.0321 271.126 348.748 46.4429 142.895 395.631 PRESSAVG: 3905800 -35.6191 -22.1053 4.92389 -22.1052 30.343 23.6599 4.92387 23.6599 -0.695898 GPRESSAVG: 3905800 -34.0755 -20.8335 4.613 -20.2004 28.8985 20.1823 6.56531 24.4741 -0.561717 TIMING: 3905800 CPU: 12201.9, 0.00311262/step Wall: 12201.9, 0.00311262/step, 0.946063 hours remaining, 234.761719 MB of memory in use. ENERGY: 3905800 4007.5928 20537.7471 14375.7483 222.1395 -203696.1710 3067.0532 0.0000 0.0000 52069.5852 -109416.3048 299.2446 -161485.8900 -109060.3504 298.7050 379.4459 404.1669 762482.5250 -1.9906 -1.9129 PRESSURE: 3906000 -49.5759 88.7332 -240.733 88.7341 -8.48372 5.15581 -240.733 5.15544 -315.074 GPRESSURE: 3906000 -83.38 198.632 -259.912 11.2851 2.90233 76.9874 -287.244 -11.5524 -236.712 PRESSAVG: 3906000 2.90479 31.6389 -8.05878 31.6389 11.1901 10.3431 -8.0587 10.343 -7.95598 GPRESSAVG: 3906000 3.14168 29.5676 -6.29205 29.0662 10.3012 12.6528 -10.004 7.62757 -7.36271 TIMING: 3906000 CPU: 12202.5, 0.00311891/step Wall: 12202.5, 0.00311891/step, 0.947802 hours remaining, 234.761719 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: 3906000 4026.3632 20536.5367 14378.9959 255.8288 -203181.8380 2710.4195 0.0000 0.0000 51730.9469 -109542.7469 297.2985 -161273.6939 -109185.3559 298.8852 -124.3780 -105.7298 763567.6473 2.0463 2.0267 PRESSURE: 3906200 -121.026 63.9127 -112.602 63.9119 28.461 140.573 -112.602 140.573 105.198 GPRESSURE: 3906200 -72.9434 172.538 -36.2366 120.078 95.9641 123.977 -299.105 187.352 73.1449 PRESSAVG: 3906200 0.754579 70.2412 -51.5256 70.2412 38.0044 0.196188 -51.5256 0.196185 -17.4462 GPRESSAVG: 3906200 1.14936 72.0211 -52.2312 71.4981 38.5706 -1.26324 -50.2939 1.1145 -18.7095 TIMING: 3906200 CPU: 12203.2, 0.00312007/step Wall: 12203.2, 0.00312007/step, 0.947982 hours remaining, 234.761719 MB of memory in use. ENERGY: 3906200 3955.2857 20352.6564 14355.0410 243.1054 -203191.9988 2823.5662 0.0000 0.0000 52116.3048 -109346.0392 299.5131 -161462.3441 -108973.0540 298.9218 4.2108 32.0552 762407.5698 7.1042 7.0035 PRESSURE: 3906400 -213.028 316.522 191.956 316.521 -97.2597 -88.8828 191.955 -88.8818 -77.6734 GPRESSURE: 3906400 -233.046 289.855 229.303 336.515 -4.77229 -154.466 278.745 -120.571 -67.4164 PRESSAVG: 3906400 -22.4069 0.806409 -14.8123 0.806455 -0.945173 -24.7018 -14.8124 -24.7019 16.1751 GPRESSAVG: 3906400 -23.2751 0.141291 -15.6918 0.351036 -1.05917 -23.7955 -14.7973 -25.2555 16.8493 TIMING: 3906400 CPU: 12203.8, 0.00311381/step Wall: 12203.8, 0.00311381/step, 0.945906 hours remaining, 234.847656 MB of memory in use. ENERGY: 3906400 3981.0041 20443.5414 14364.3634 235.8539 -203257.9319 2780.9840 0.0000 0.0000 52122.7269 -109329.4581 299.5500 -161452.1850 -108972.5834 299.0965 -129.3205 -101.7450 762652.6000 -2.3923 -2.4950 PRESSURE: 3906600 252.034 -92.9323 69.0546 -92.9328 336.637 7.30459 69.0546 7.30442 121.937 GPRESSURE: 3906600 261.374 -19.0512 -15.2379 -20.229 364.904 35.4907 49.6648 19.7905 168.875 PRESSAVG: 3906600 -5.20712 -4.97137 30.0501 -4.97141 1.35659 9.42746 30.0501 9.42733 10.104 GPRESSAVG: 3906600 -4.82773 -5.97563 28.6505 -2.90556 0.978779 9.28472 29.8907 10.0377 10.6477 TIMING: 3906600 CPU: 12204.4, 0.00312467/step Wall: 12204.4, 0.00312467/step, 0.949032 hours remaining, 234.847656 MB of memory in use. ENERGY: 3906600 3952.0255 20512.2686 14374.8653 260.0874 -203710.8753 3055.6458 0.0000 0.0000 52086.5451 -109469.4376 299.3421 -161555.9827 -109119.5726 299.1292 236.8696 265.0511 762458.0776 2.0845 2.2662 PRESSURE: 3906800 411.386 112.051 -99.4896 112.05 229.146 -52.7985 -99.4899 -52.7993 325.245 GPRESSURE: 3906800 469.135 -7.44063 -78.0897 83.4946 288.416 -52.2533 49.7285 -37.0394 291.163 PRESSAVG: 3906800 47.5964 31.2153 -7.42171 31.2153 -10.0317 -32.226 -7.42175 -32.2261 35.7199 GPRESSAVG: 3906800 47.2033 30.9103 -6.49236 31.3716 -7.97296 -31.1941 -7.8088 -32.279 34.4141 TIMING: 3906800 CPU: 12205, 0.00310937/step Wall: 12205, 0.00310936/step, 0.94421 hours remaining, 234.847656 MB of memory in use. ENERGY: 3906800 4001.7054 20638.0489 14414.8155 252.8756 -203452.3073 2930.7744 0.0000 0.0000 52129.4514 -109084.6361 299.5887 -161214.0876 -108733.8671 299.4400 321.9257 349.5714 761913.4226 24.4282 24.5482 PRESSURE: 3907000 -58.6326 185.971 109.791 185.971 -54.4019 115.657 109.791 115.657 379.515 GPRESSURE: 3907000 -18.8479 226.827 98.8097 128.21 -35.5112 145.044 119.525 -61.1556 392.646 PRESSAVG: 3907000 -8.08409 -17.7979 41.5007 -17.7979 5.78937 10.3828 41.5007 10.3828 1.71522 GPRESSAVG: 3907000 -8.54537 -15.2548 41.7861 -19.4574 5.42672 10.3155 43.309 9.4308 2.30551 TIMING: 3907000 CPU: 12205.7, 0.00311313/step Wall: 12205.7, 0.00311313/step, 0.945182 hours remaining, 234.847656 MB of memory in use. ENERGY: 3907000 4068.1271 20439.1878 14477.5438 247.1246 -202985.5412 2553.1963 0.0000 0.0000 52066.4649 -109133.8966 299.2267 -161200.3615 -108778.6387 299.3391 88.8269 112.7621 763523.6154 -0.1932 -0.2710 PRESSURE: 3907200 -13.2242 -101.639 -44.2655 -101.639 66.3057 -17.5565 -44.2653 -17.5564 -93.8495 GPRESSURE: 3907200 55.431 -41.5572 -24.8974 -17.3605 59.5881 -180.518 -78.2685 24.9141 -56.3429 PRESSAVG: 3907200 -28.8109 35.0534 25.4854 35.0533 9.26923 -28.2238 25.4855 -28.2237 0.649979 GPRESSAVG: 3907200 -27.8804 35.427 24.0874 35.4538 8.58676 -29.7842 25.0184 -27.7142 0.814356 TIMING: 3907200 CPU: 12206.3, 0.00313016/step Wall: 12206.3, 0.00313016/step, 0.950177 hours remaining, 234.847656 MB of memory in use. ENERGY: 3907200 3936.5628 20470.3520 14466.0907 237.5351 -203124.1614 2671.5282 0.0000 0.0000 52273.8660 -109068.2266 300.4186 -161342.0926 -108698.6295 299.2726 -13.5893 19.5587 760139.1183 -6.2972 -6.1598 PRESSURE: 3907400 138.156 76.9287 209.895 76.9287 66.6753 -100.687 209.895 -100.689 152.814 GPRESSURE: 3907400 63.3601 -84.2413 137.876 109.589 166.319 -70.3578 214.623 10.5731 223.394 PRESSAVG: 3907400 4.69061 3.93917 -28.1242 3.93919 -0.154177 26.9474 -28.1242 26.9475 -3.10673 GPRESSAVG: 3907400 3.3257 4.0336 -26.9975 4.87311 -0.590634 28.1424 -29.7069 26.8782 -1.4341 TIMING: 3907400 CPU: 12206.9, 0.00311259/step Wall: 12206.9, 0.00311259/step, 0.94467 hours remaining, 234.847656 MB of memory in use. ENERGY: 3907400 3979.8943 20436.3458 14410.4821 240.0327 -203017.6520 2714.9393 0.0000 0.0000 52141.7157 -109094.2422 299.6592 -161235.9578 -108728.6157 299.2819 119.2151 151.0243 763399.2290 0.4766 0.4337 PRESSURE: 3907600 223.041 -29.3983 41.595 -29.3978 59.3587 133.332 41.5949 133.331 154.005 GPRESSURE: 3907600 255.78 -17.4099 124.498 23.6883 100.584 62.815 72.2387 264.116 178.733 PRESSAVG: 3907600 -40.1564 -24.4624 -1.96695 -24.4624 31.3693 1.46344 -1.96701 1.4635 5.91492 GPRESSAVG: 3907600 -39.408 -25.6371 -1.03334 -26.6625 31.9309 2.44853 -1.00992 0.775413 5.22898 TIMING: 3907600 CPU: 12207.5, 0.00311233/step Wall: 12207.5, 0.00311233/step, 0.944419 hours remaining, 234.847656 MB of memory in use. ENERGY: 3907600 3909.8356 20527.9910 14412.8572 238.1775 -203485.0174 2879.4140 0.0000 0.0000 52263.9535 -109252.7885 300.3617 -161516.7421 -108889.1689 299.0278 145.4683 178.3655 762815.7738 -0.9574 -0.7494 PRESSURE: 3907800 130.917 90.505 -24.9895 90.506 130.514 45.234 -24.9894 45.2342 170.89 GPRESSURE: 3907800 244.027 71.9257 42.415 179.366 134.523 36.6219 -83.2868 73.2329 125.175 PRESSAVG: 3907800 22.6714 -1.13166 -0.0755234 -1.13166 -48.4889 -24.3652 -0.0755528 -24.3651 15.5262 GPRESSAVG: 3907800 22.3721 -0.678049 -1.32345 0.278443 -47.9274 -25.6302 1.46736 -23.401 15.224 TIMING: 3907800 CPU: 12208.1, 0.00309214/step Wall: 12208.1, 0.00309214/step, 0.938122 hours remaining, 234.847656 MB of memory in use. ENERGY: 3907800 3996.1919 20627.6683 14442.9275 248.6857 -203480.3719 3211.3607 0.0000 0.0000 51769.6921 -109183.8457 297.5211 -160953.5378 -108837.9830 298.9216 144.1071 167.9083 762074.7556 -3.4304 -3.4438 PRESSURE: 3908000 155.086 127.069 4.48609 127.069 159.935 -108.904 4.4864 -108.904 338.976 GPRESSURE: 3908000 188.419 120.502 79.1459 243.04 221.715 -184.605 -91.7017 -70.0885 311.564 PRESSAVG: 3908000 25.3251 -2.99851 53.8545 -2.99854 -54.1762 -23.6744 53.8545 -23.6744 10.4513 GPRESSAVG: 3908000 26.966 -3.45377 54.4206 -2.86051 -54.2536 -20.8931 52.9066 -24.6678 9.14628 TIMING: 3908000 CPU: 12208.8, 0.00309703/step Wall: 12208.8, 0.00309703/step, 0.939432 hours remaining, 234.847656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3908000 3994.3086 20446.7837 14427.2678 222.9905 -203258.8800 2787.0637 0.0000 0.0000 52207.6852 -109172.7805 300.0383 -161380.4658 -108805.4598 299.0746 217.9989 240.5657 762105.7993 -6.1333 -6.0471 PRESSURE: 3908200 107.936 -99.3184 -239.95 -99.318 141.55 84.022 -239.95 84.0225 -53.4759 GPRESSURE: 3908200 229.014 4.09663 -261.578 -113.751 169.142 55.0519 -96.02 55.658 -100.318 PRESSAVG: 3908200 -34.3782 8.07648 15.3121 8.0765 42.0929 -53.2481 15.3121 -53.2482 -29.5354 GPRESSAVG: 3908200 -34.9368 7.37402 14.803 5.80601 40.8241 -56.392 15.1219 -52.3377 -27.5819 TIMING: 3908200 CPU: 12209.4, 0.00311244/step Wall: 12209.4, 0.00311244/step, 0.943934 hours remaining, 234.847656 MB of memory in use. ENERGY: 3908200 3999.0520 20460.1097 14440.8819 241.7338 -203357.3343 2930.1169 0.0000 0.0000 52156.3620 -109129.0781 299.7433 -161285.4401 -108764.6702 299.5900 65.3369 99.2792 762419.3691 -7.2736 -7.2315 LDB: ============= START OF LOAD BALANCING ============== 12221.9 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12221.9 LDB: =============== DONE WITH MIGRATION ================ 12221.9 LDB: ============= START OF LOAD BALANCING ============== 12222.2 LDB: Largest compute 6981 load 0.029315 is 15.0% of average load 0.195435 LDB: Average compute 0.004388 is 2.2% of average load 0.195435 LDB: TIME 12222.2 LOAD: AVG 0.195435 MAX 0.218981 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.262 MB LDB: TIME 12222.2 LOAD: AVG 0.195435 MAX 0.218981 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.262 MB LDB: TIME 12222.2 LOAD: AVG 0.195435 MAX 0.214027 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.262 MB LDB: ============== END OF LOAD BALANCING =============== 12222.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12222.2 PRESSURE: 3908400 14.9112 -33.1741 -38.6546 -33.1737 -337.352 345.497 -38.6534 345.498 -199.693 GPRESSURE: 3908400 -3.36477 -64.7846 -52.1081 -92.1164 -250.112 348.991 -59.0712 195.996 -186.675 PRESSAVG: 3908400 35.0541 -51.7361 15.4643 -51.7361 -21.7828 31.2726 15.4644 31.2726 -3.98274 GPRESSAVG: 3908400 35.68 -51.9552 16.0907 -50.0344 -22.1667 32.5592 14.3602 31.7034 -3.99082 TIMING: 3908400 CPU: 12210, 0.0031789/step Wall: 12210, 0.0031789/step, 0.963913 hours remaining, 234.261719 MB of memory in use. ENERGY: 3908400 4073.2836 20554.9662 14403.6682 250.3235 -203481.1358 2908.4803 0.0000 0.0000 51989.2397 -109301.1744 298.7829 -161290.4141 -108943.0644 299.0923 -174.0445 -146.7173 761503.1890 3.0962 3.1741 PRESSURE: 3908600 -220.854 40.8148 -235.274 40.8147 198.003 -48.6165 -235.274 -48.6182 503.503 GPRESSURE: 3908600 -172.168 12.8995 -163.484 16.2154 227.297 -84.7941 -140.507 -111.769 505.892 PRESSAVG: 3908600 10.2635 -1.05395 -9.64627 -1.05397 38.4618 -15.6897 -9.64632 -15.6898 2.8264 GPRESSAVG: 3908600 10.0261 1.15984 -8.1245 -2.06522 40.1855 -16.255 -8.61224 -14.3826 0.980667 TIMING: 3908600 CPU: 12210.6, 0.00312239/step Wall: 12210.6, 0.00312239/step, 0.946606 hours remaining, 234.261719 MB of memory in use. ENERGY: 3908600 3999.0042 20525.1262 14475.9180 241.3198 -203193.4500 2685.5395 0.0000 0.0000 52146.7825 -109119.7598 299.6883 -161266.5423 -108760.4169 299.3158 160.2175 187.0068 761363.6716 17.1839 17.0641 PRESSURE: 3908800 -68.7738 144.523 172.455 144.523 104.738 -130.079 172.455 -130.078 -294.61 GPRESSURE: 3908800 -7.87539 91.8313 74.0743 125.556 89.9159 -101.598 115.191 -120.516 -259.105 PRESSAVG: 3908800 35.4428 -2.43671 -23.9104 -2.43675 -24.2704 -33.4606 -23.9105 -33.4606 -30.5348 GPRESSAVG: 3908800 35.1221 -6.06846 -24.4196 -2.41201 -26.0901 -34.1986 -24.6776 -34.6663 -28.6171 TIMING: 3908800 CPU: 12211.3, 0.00313238/step Wall: 12211.3, 0.00313237/step, 0.949458 hours remaining, 234.453125 MB of memory in use. ENERGY: 3908800 3973.8581 20442.5141 14475.3835 259.2899 -203119.2291 2781.4712 0.0000 0.0000 51911.7954 -109274.9168 298.3378 -161186.7122 -108918.2513 299.1859 -86.2152 -59.0215 761920.1231 -6.4541 -6.5283 PRESSURE: 3909000 182.385 48.2176 23.8368 48.2186 5.59514 -148.35 23.8362 -148.35 88.0117 GPRESSURE: 3909000 150.198 -35.5215 85.0678 -2.98258 50.2814 -150.732 -150.811 -97.8541 149.334 PRESSAVG: 3909000 -54.4637 14.7613 17.027 14.7613 -13.7689 -43.3947 17.027 -43.3948 -14.1964 GPRESSAVG: 3909000 -54.3349 16.1463 16.0806 15.7405 -13.7487 -41.5758 18.0578 -44.0485 -14.5365 TIMING: 3909000 CPU: 12211.9, 0.00311747/step Wall: 12211.9, 0.00311747/step, 0.944765 hours remaining, 234.453125 MB of memory in use. ENERGY: 3909000 3987.0916 20643.0404 14479.4602 234.5635 -203277.2625 2596.1458 0.0000 0.0000 52081.6424 -109255.3187 299.3139 -161336.9611 -108892.0030 299.1990 91.9973 116.6045 762339.4219 -27.4763 -27.5400 PRESSURE: 3909200 -25.1319 -17.3147 -64.3276 -17.3142 80.2254 207.26 -64.3289 207.26 -18.3984 GPRESSURE: 3909200 -23.7941 -109.793 -126.197 -122.897 128.57 190.464 -100.299 178.976 10.0555 PRESSAVG: 3909200 -14.5859 -3.1344 -43.1756 -3.13437 15.2505 -50.4858 -43.1756 -50.4858 16.6536 GPRESSAVG: 3909200 -16.0813 -3.81085 -42.9631 -5.04235 16.6566 -52.0108 -44.1336 -50.7631 16.5887 TIMING: 3909200 CPU: 12212.5, 0.00309096/step Wall: 12212.5, 0.00309096/step, 0.93656 hours remaining, 234.464844 MB of memory in use. ENERGY: 3909200 3904.7939 20690.3017 14415.4183 246.8596 -203415.3432 2592.9721 0.0000 0.0000 52184.9958 -109380.0018 299.9079 -161564.9976 -109015.1538 299.4463 12.2317 38.2770 762320.6395 5.7727 5.7213 PRESSURE: 3909400 -115.934 -20.6639 30.1136 -20.6644 -181.611 -388.287 30.1133 -388.286 161.439 GPRESSURE: 3909400 -132.699 33.5061 61.9054 154.003 -91.4838 -423.934 17.1383 -135.046 173.627 PRESSAVG: 3909400 -39.5362 -35.8469 -34.8 -35.847 63.3751 2.14603 -34.8 2.14608 -10.3016 GPRESSAVG: 3909400 -38.9857 -34.2446 -34.5924 -34.5684 63.2969 0.942408 -31.1866 2.58866 -10.4859 TIMING: 3909400 CPU: 12213.1, 0.00310444/step Wall: 12213.1, 0.00310444/step, 0.940473 hours remaining, 234.464844 MB of memory in use. ENERGY: 3909400 3969.1802 20428.9061 14456.6432 236.6781 -203115.2354 2576.2344 0.0000 0.0000 51948.1445 -109499.4489 298.5467 -161447.5934 -109125.0342 299.2371 -45.3686 -16.8520 762481.8557 4.5124 4.6085 PRESSURE: 3909600 69.2846 -260.699 45.6561 -260.698 226.708 -171.225 45.6556 -171.227 -331.168 GPRESSURE: 3909600 60.9249 -228.18 9.40072 -222.118 240.307 -171.64 44.3846 -81.3317 -269.002 PRESSAVG: 3909600 -36.817 -9.7152 25.5423 -9.71523 73.0592 31.5954 25.5422 31.5955 -3.01321 GPRESSAVG: 3909600 -36.112 -8.33885 25.5626 -12.1314 72.0912 33.295 22.8005 32.8837 -2.80996 TIMING: 3909600 CPU: 12213.8, 0.00312571/step Wall: 12213.8, 0.00312571/step, 0.946744 hours remaining, 234.464844 MB of memory in use. ENERGY: 3909600 3983.4946 20392.5832 14449.5482 234.2370 -203451.4917 2782.3272 0.0000 0.0000 52116.3641 -109492.9372 299.5135 -161609.3013 -109134.8218 299.0910 -11.7252 10.7434 760067.0048 11.0763 11.0564 PRESSURE: 3909800 248.905 -4.4219 -122.341 -4.42197 214.408 74.6636 -122.341 74.6633 86.7062 GPRESSURE: 3909800 179.42 -23.0837 -115.956 13.3509 408.662 48.1994 -129.724 -22.2341 39.7387 PRESSAVG: 3909800 -81.5939 -22.9856 -23.3529 -22.9856 71.1966 -12.1375 -23.3529 -12.1376 -4.36715 GPRESSAVG: 3909800 -81.8018 -25.953 -23.7724 -20.4253 70.4972 -13.5232 -22.6862 -12.771 -4.34702 TIMING: 3909800 CPU: 12214.4, 0.00311834/step Wall: 12214.4, 0.00311834/step, 0.944337 hours remaining, 234.464844 MB of memory in use. ENERGY: 3909800 3910.4902 20706.2889 14480.7120 240.7656 -203528.2033 2858.2104 0.0000 0.0000 51844.6880 -109487.0482 297.9521 -161331.7362 -109132.4125 298.8552 183.3395 209.2734 761220.4483 -4.9215 -5.2172 PRESSURE: 3910000 51.1841 33.038 126.357 33.0389 -134.796 260.053 126.357 260.053 -356.626 GPRESSURE: 3910000 -1.003 92.7412 122.856 -34.47 -100.22 267.776 14.0091 106.224 -251.624 PRESSAVG: 3910000 -25.5848 -12.8629 -18.5257 -12.8628 31.1849 3.84563 -18.5256 3.84554 29.1201 GPRESSAVG: 3910000 -26.8977 -11.1967 -19.479 -13.8863 33.6028 2.9872 -18.5391 3.80183 28.1766 TIMING: 3910000 CPU: 12215, 0.0031216/step Wall: 12215, 0.0031216/step, 0.945151 hours remaining, 234.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3910000 3995.4826 20471.1311 14426.0586 235.4270 -203368.7457 2714.9627 0.0000 0.0000 51845.6935 -109679.9901 297.9579 -161525.6837 -109311.4139 298.5528 -146.7458 -117.6156 763113.3146 11.5734 11.6272 PRESSURE: 3910200 287.465 97.1109 -41.2751 97.1101 242.438 -166.836 -41.2762 -166.835 147.301 GPRESSURE: 3910200 287.429 174.067 -175.143 125.307 273.819 -197.256 122.135 -58.8532 214.697 PRESSAVG: 3910200 10.2607 1.16602 -24.0666 1.166 11.1135 -24.2799 -24.0666 -24.2798 -15.4659 GPRESSAVG: 3910200 9.68317 0.828443 -22.011 1.27888 10.6761 -21.672 -24.3103 -25.0164 -14.9814 TIMING: 3910200 CPU: 12215.6, 0.00310876/step Wall: 12215.6, 0.00310876/step, 0.94109 hours remaining, 234.464844 MB of memory in use. ENERGY: 3910200 3987.3470 20393.6471 14396.4439 246.3022 -203418.5356 2765.9045 0.0000 0.0000 52130.6809 -109498.2098 299.5957 -161628.8908 -109148.7230 298.8145 225.7347 258.6484 762831.2642 1.9695 1.7926 PRESSURE: 3910400 5.47001 -37.6118 -35.7014 -37.611 17.0941 35.3213 -35.7002 35.3216 -149.275 GPRESSURE: 3910400 38.1295 -97.1871 -79.7142 -34.5741 75.5341 68.6378 88.5328 30.2707 -141.707 PRESSAVG: 3910400 35.5635 18.213 -75.7705 18.213 -26.9305 -23.1991 -75.7705 -23.1992 -2.46439 GPRESSAVG: 3910400 36.5333 18.6631 -76.9253 18.6582 -27.9191 -25.5723 -75.6256 -22.8893 -2.70328 TIMING: 3910400 CPU: 12216.3, 0.00312869/step Wall: 12216.3, 0.00312869/step, 0.94695 hours remaining, 234.464844 MB of memory in use. ENERGY: 3910400 3881.6310 20442.1445 14452.9984 249.1478 -202909.9330 2494.0169 0.0000 0.0000 51962.4681 -109427.5263 298.6290 -161389.9943 -109065.7433 298.9918 -42.2369 -9.3476 761944.6500 2.0562 1.9703 PRESSURE: 3910600 -206.103 -190.239 157.983 -190.24 -273.013 59.8093 157.983 59.8091 138.05 GPRESSURE: 3910600 -249.504 -55.4158 162.338 -143.186 -189.143 60.3207 -10.4601 80.3568 177.799 PRESSAVG: 3910600 -44.757 29.8591 -2.50994 29.8592 33.9118 -10.2254 -2.50998 -10.2255 8.63813 GPRESSAVG: 3910600 -44.7305 31.7787 -1.54725 27.3695 33.8409 -9.91001 -3.34155 -10.222 9.22022 TIMING: 3910600 CPU: 12216.9, 0.00311606/step Wall: 12216.9, 0.00311606/step, 0.942955 hours remaining, 234.464844 MB of memory in use. ENERGY: 3910600 3937.7252 20477.7764 14478.7353 246.0874 -203591.2876 2997.6164 0.0000 0.0000 51867.2999 -109586.0471 298.0821 -161453.3470 -109225.6592 298.7752 -113.6888 -86.9492 763244.7660 -0.7357 -0.5565 PRESSURE: 3910800 575.356 -44.953 -237.566 -44.9519 323.895 -76.6139 -237.566 -76.614 -135.996 GPRESSURE: 3910800 578.274 -75.2873 -227.911 -65.9982 361.676 -82.4924 -230.715 -61.9943 -85.3261 PRESSAVG: 3910800 45.6667 -26.1224 -68.1775 -26.1223 10.5403 -17.1301 -68.1775 -17.13 6.26006 GPRESSAVG: 3910800 46.723 -28.8299 -68.1337 -22.4296 10.9188 -16.4153 -69.0954 -16.0955 5.09292 TIMING: 3910800 CPU: 12217.5, 0.00311195/step Wall: 12217.5, 0.00311195/step, 0.941539 hours remaining, 234.464844 MB of memory in use. ENERGY: 3910800 4017.6615 20512.3528 14428.4330 234.9076 -203508.5680 2890.1607 0.0000 0.0000 51985.3767 -109439.6757 298.7607 -161425.0524 -109070.0610 298.8360 254.4185 284.8745 760463.2253 20.8223 20.9116 PRESSURE: 3911000 78.874 -105.377 -162.239 -105.377 -303.699 127.865 -162.24 127.864 136.007 GPRESSURE: 3911000 163.069 -201.857 -149.86 -60.0073 -254.248 157.602 -126.217 150.699 99.1021 PRESSAVG: 3911000 58.2781 -13.0481 -18.4315 -13.0481 -106.287 40.4932 -18.4315 40.4932 -6.84482 GPRESSAVG: 3911000 56.3543 -11.9784 -18.6673 -13.7941 -106.245 41.0244 -15.4256 40.7181 -5.17877 TIMING: 3911000 CPU: 12218.1, 0.00310726/step Wall: 12218.1, 0.00310726/step, 0.939945 hours remaining, 234.464844 MB of memory in use. ENERGY: 3911000 3941.0483 20438.8047 14493.7693 243.8127 -203194.7566 2571.2464 0.0000 0.0000 52035.5690 -109470.5063 299.0491 -161506.0753 -109098.3575 299.1496 -29.6060 2.6408 761736.5080 -18.2847 -18.3566 PRESSURE: 3911200 121.562 -57.5752 -127.285 -57.5754 -2.29707 160.959 -127.285 160.958 -35.3013 GPRESSURE: 3911200 121.55 -117.405 -64.7035 -24.6643 32.63 165.225 -28.0973 83.3203 -0.00417614 PRESSAVG: 3911200 11.1143 -13.9987 -22.0602 -13.9987 -27.7301 -35.485 -22.0601 -35.4849 7.05361 GPRESSAVG: 3911200 12.9283 -15.4816 -22.4759 -12.5066 -28.4433 -35.3307 -23.4623 -37.4683 6.07142 TIMING: 3911200 CPU: 12218.7, 0.00311314/step Wall: 12218.7, 0.00311314/step, 0.941553 hours remaining, 234.464844 MB of memory in use. ENERGY: 3911200 4002.0150 20431.5536 14441.5754 242.1619 -203553.9902 2817.6696 0.0000 0.0000 52099.5602 -109519.4546 299.4169 -161619.0147 -109159.6477 298.9267 27.9880 51.3919 761229.7748 -3.1874 -3.1478 PRESSURE: 3911400 82.2741 49.3316 33.3437 49.3327 -8.69935 165.834 33.3442 165.834 -1.7837 GPRESSURE: 3911400 95.7406 -34.1348 74.0159 125.93 23.7749 174.4 73.7676 66.0422 43.3361 PRESSAVG: 3911400 -33.0746 -25.1995 -16.9229 -25.1995 15.276 11.5716 -16.923 11.5715 -10.097 GPRESSAVG: 3911400 -33.5567 -24.613 -16.7401 -26.1321 15.9312 12.1387 -16.6248 10.2193 -10.0446 TIMING: 3911400 CPU: 12219.4, 0.00311432/step Wall: 12219.4, 0.00311432/step, 0.941735 hours remaining, 234.464844 MB of memory in use. ENERGY: 3911400 3951.6370 20513.3265 14430.0924 244.8432 -203391.6081 2402.5097 0.0000 0.0000 52151.5919 -109697.6073 299.7159 -161849.1993 -109329.7036 298.5422 23.9303 54.2839 759376.1967 -9.2985 -9.2234 PRESSURE: 3911600 52.7837 -197.532 52.7186 -197.532 202.512 170.531 52.719 170.532 6.09833 GPRESSURE: 3911600 78.9495 -18.6931 55.6284 -105.926 229.438 208.343 244.186 58.2941 26.9751 PRESSAVG: 3911600 37.107 -41.9995 -33.9337 -41.9994 -63.3665 35.3448 -33.9337 35.3448 12.3159 GPRESSAVG: 3911600 37.6978 -40.6132 -32.1131 -43.2857 -64.1987 34.4478 -32.4433 38.274 12.429 TIMING: 3911600 CPU: 12220, 0.00312222/step Wall: 12220, 0.00312222/step, 0.94395 hours remaining, 234.464844 MB of memory in use. ENERGY: 3911600 4071.3681 20423.3257 14422.0291 258.2883 -203192.0299 2696.4523 0.0000 0.0000 51789.8102 -109530.7562 297.6368 -161320.5663 -109175.3200 298.8218 87.1315 111.7876 761028.7124 -4.6479 -4.6906 PRESSURE: 3911800 0.217816 152.875 -249.276 152.876 -67.1207 264.914 -249.275 264.914 122.822 GPRESSURE: 3911800 13.1972 96.9722 -178.422 161.734 -28.4281 234.869 -298.277 300.147 142.378 PRESSAVG: 3911800 14.0199 -9.9941 -35.1744 -9.99414 -25.7992 35.8166 -35.1744 35.8167 8.10341 GPRESSAVG: 3911800 13.3904 -11.2516 -36.5227 -7.60966 -24.9756 35.1167 -36.0851 34.9879 8.11549 TIMING: 3911800 CPU: 12220.6, 0.00312739/step Wall: 12220.6, 0.00312739/step, 0.94534 hours remaining, 234.464844 MB of memory in use. ENERGY: 3911800 3963.7488 20476.6008 14422.0735 240.9403 -203422.4134 2803.6034 0.0000 0.0000 51774.8063 -109740.6404 297.5505 -161515.4466 -109378.2576 298.2953 18.6398 42.3824 763678.6226 -1.2253 -1.1566 PRESSURE: 3912000 -110.875 86.948 222.128 86.9487 -150.728 117.402 222.127 117.403 -160.496 GPRESSURE: 3912000 -73.5164 100.017 217.461 90.9041 -120.382 83.7684 148.729 37.471 -150.671 PRESSAVG: 3912000 -4.79802 16.3176 -22.3324 16.3176 9.40065 25.3171 -22.3324 25.3171 -1.99746 GPRESSAVG: 3912000 -4.20074 16.5637 -23.998 16.0063 8.90756 25.5716 -21.2485 23.7613 -2.18801 TIMING: 3912000 CPU: 12221.2, 0.00311296/step Wall: 12221.2, 0.00311296/step, 0.940806 hours remaining, 234.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3912000 3974.6496 20451.0360 14419.9041 259.4916 -203723.8313 2880.7259 0.0000 0.0000 52201.3294 -109536.6947 300.0018 -161738.0241 -109170.0748 298.7288 -140.6996 -114.8566 763237.0255 0.8684 0.8396 PRESSURE: 3912200 -206.403 50.7464 217.896 50.746 -86.3037 -225.418 217.896 -225.417 -51.7322 GPRESSURE: 3912200 -172.175 -61.1263 194.221 -24.9787 -26.0939 -178.976 100.037 -256.133 -49.3574 PRESSAVG: 3912200 47.5932 54.6652 52.5861 54.6652 -27.8925 -46.4361 52.5861 -46.4361 -0.744059 GPRESSAVG: 3912200 48.4137 54.9254 54.7528 52.3945 -27.2045 -46.9505 49.116 -44.8806 -1.71016 TIMING: 3912200 CPU: 12221.9, 0.00310414/step Wall: 12221.9, 0.00310414/step, 0.937968 hours remaining, 234.464844 MB of memory in use. ENERGY: 3912200 4070.2057 20512.4840 14448.4686 231.4071 -203397.9818 2712.1042 0.0000 0.0000 51865.2672 -109558.0449 298.0704 -161423.3122 -109187.1971 299.2974 -114.8129 -82.5420 764879.0200 6.3189 6.4997 LDB: ============= START OF LOAD BALANCING ============== 12234.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12234.3 LDB: =============== DONE WITH MIGRATION ================ 12234.3 LDB: ============= START OF LOAD BALANCING ============== 12234.7 LDB: Largest compute 7051 load 0.029941 is 15.3% of average load 0.195271 LDB: Average compute 0.004371 is 2.2% of average load 0.195271 LDB: TIME 12234.7 LOAD: AVG 0.195271 MAX 0.214873 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.293 MB LDB: TIME 12234.7 LOAD: AVG 0.195271 MAX 0.214873 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.293 MB LDB: TIME 12234.7 LOAD: AVG 0.195271 MAX 0.214873 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.293 MB LDB: ============== END OF LOAD BALANCING =============== 12234.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12234.7 PRESSURE: 3912400 114.993 -87.6543 54.188 -87.654 -332.083 -169.352 54.1878 -169.352 -494.458 GPRESSURE: 3912400 158.076 10.1274 46.0055 -113.216 -363.22 -133.357 75.6298 -367.65 -410.244 PRESSAVG: 3912400 -3.06816 7.26326 4.82408 7.26321 5.9983 -5.37002 4.82405 -5.37 -0.718794 GPRESSAVG: 3912400 -4.62679 7.97783 4.97612 7.90596 6.60587 -3.72435 7.48067 -7.69854 0.194637 TIMING: 3912400 CPU: 12222.5, 0.00318752/step Wall: 12222.5, 0.00318752/step, 0.962986 hours remaining, 234.773438 MB of memory in use. ENERGY: 3912400 4035.5378 20529.8053 14448.9969 239.9193 -203602.7835 2576.1552 0.0000 0.0000 52229.1522 -109543.2169 300.1617 -161772.3691 -109189.9696 298.7798 -237.1827 -205.1289 763505.0208 0.7371 0.7246 PRESSURE: 3912600 191.821 44.2873 35.5895 44.2866 -85.4105 10.3285 35.5899 10.3298 158.807 GPRESSURE: 3912600 149.893 141.364 66.2195 4.55445 7.44656 -10.1389 164.662 -22.6996 183.588 PRESSAVG: 3912600 -37.1747 14.1593 -16.8076 14.1592 11.9497 -15.8884 -16.8075 -15.8884 1.88633 GPRESSAVG: 3912600 -36.7233 12.896 -16.7082 12.2352 11.2891 -16.9761 -17.0914 -14.607 1.84959 TIMING: 3912600 CPU: 12223.1, 0.00311839/step Wall: 12223.1, 0.00311839/step, 0.941928 hours remaining, 234.972656 MB of memory in use. ENERGY: 3912600 4070.2618 20563.5906 14417.9255 248.5527 -203892.0613 3168.2580 0.0000 0.0000 51996.6165 -109426.8562 298.8253 -161423.4727 -109069.2175 299.0289 88.4059 113.6425 763153.0974 -7.7796 -7.8615 PRESSURE: 3912800 -261.646 -78.7296 153.953 -78.729 -406.087 148.071 153.953 148.072 -426.401 GPRESSURE: 3912800 -259.243 -34.844 152.259 -60.3192 -350.397 163.99 34.1222 137.56 -402.972 PRESSAVG: 3912800 -7.5239 23.9535 3.88281 23.9536 -8.3098 -37.1034 3.88283 -37.1034 0.600792 GPRESSAVG: 3912800 -6.67044 24.0373 2.59132 24.5055 -8.08605 -36.1978 4.38454 -35.446 -0.411817 TIMING: 3912800 CPU: 12223.7, 0.00311027/step Wall: 12223.7, 0.00311027/step, 0.939301 hours remaining, 234.972656 MB of memory in use. ENERGY: 3912800 4006.3143 20408.0839 14430.0368 248.8879 -203200.9250 2610.4353 0.0000 0.0000 52112.2036 -109384.9632 299.4896 -161497.1668 -109009.8241 299.0804 -364.7115 -337.5374 763749.0738 -5.0776 -5.0561 PRESSURE: 3913000 -84.5242 156.033 50.7045 156.033 -70.329 14.0873 50.7039 14.0871 103.883 GPRESSURE: 3913000 -106.018 47.0313 62.5669 174.24 31.4664 15.7409 15.3719 -62.2953 91.0762 PRESSAVG: 3913000 17.0036 22.0793 -15.6552 22.0792 -10.314 -37.329 -15.6552 -37.329 27.3522 GPRESSAVG: 3913000 16.2346 23.0579 -14.438 23.6546 -9.47379 -37.2451 -16.3067 -39.0345 27.1763 TIMING: 3913000 CPU: 12224.4, 0.00310238/step Wall: 12224.4, 0.00310238/step, 0.936747 hours remaining, 234.972656 MB of memory in use. ENERGY: 3913000 3960.6941 20486.0180 14464.5850 272.3809 -203415.5013 2771.7460 0.0000 0.0000 52205.2770 -109254.8003 300.0244 -161460.0773 -108889.2875 299.3384 -16.9902 5.5083 763310.3471 11.3473 11.3124 PRESSURE: 3913200 295.828 -165.189 166.904 -165.189 -183.799 70.4735 166.904 70.4744 -84.0967 GPRESSURE: 3913200 315.212 -2.06658 53.5242 -127.349 -147.21 68.1162 271.62 102.487 -61.7507 PRESSAVG: 3913200 -6.03506 80.6728 -3.90316 80.6729 17.0084 -8.63167 -3.90316 -8.63171 -13.3004 GPRESSAVG: 3913200 -4.89524 81.4348 -3.5897 80.423 15.2718 -9.25633 -5.24255 -9.80791 -12.7482 TIMING: 3913200 CPU: 12225, 0.00310999/step Wall: 12225, 0.00310999/step, 0.938871 hours remaining, 234.972656 MB of memory in use. ENERGY: 3913200 3958.4694 20693.1616 14520.4030 248.1435 -203809.8538 2994.5014 0.0000 0.0000 52055.4028 -109339.7721 299.1631 -161395.1748 -108985.9898 298.9529 9.3108 35.4169 762020.4591 -0.7757 -0.7906 PRESSURE: 3913400 -57.2542 -212.475 -142.883 -212.475 137.643 -34.6237 -142.883 -34.624 199.134 GPRESSURE: 3913400 -80.9526 -127.071 -89.2433 -67.2234 138.663 -53.9517 58.3414 55.1823 312.87 PRESSAVG: 3913400 42.9812 -23.3869 -39.4108 -23.387 -7.93892 -19.2749 -39.4108 -19.2748 -28.6199 GPRESSAVG: 3913400 43.2997 -24.3014 -39.848 -22.4791 -6.90312 -20.1143 -37.2311 -18.0359 -29.6443 TIMING: 3913400 CPU: 12225.6, 0.00310919/step Wall: 12225.6, 0.00310919/step, 0.938456 hours remaining, 234.972656 MB of memory in use. ENERGY: 3913400 3980.2384 20652.2111 14489.7647 246.0052 -203583.7388 2829.2052 0.0000 0.0000 52094.5920 -109291.7222 299.3883 -161386.3142 -108930.2323 299.5072 93.1745 123.5268 761354.0536 2.1408 2.2508 PRESSURE: 3913600 42.5863 35.5617 -46.5904 35.5621 24.9781 -81.2186 -46.5905 -81.2182 -269.188 GPRESSURE: 3913600 69.1028 13.1047 -98.193 51.2553 63.2244 -23.2663 -129.178 -128.887 -276.758 PRESSAVG: 3913600 -31.4827 24.1511 7.72747 24.151 21.4577 -31.5054 7.72745 -31.5054 0.276968 GPRESSAVG: 3913600 -32.5339 25.063 7.24956 22.8802 21.5865 -31.9615 6.48487 -30.3715 1.10059 TIMING: 3913600 CPU: 12226.2, 0.003117/step Wall: 12226.2, 0.003117/step, 0.940641 hours remaining, 234.972656 MB of memory in use. ENERGY: 3913600 3938.7702 20605.3048 14559.8979 257.8452 -203351.0348 2667.8795 0.0000 0.0000 51958.0504 -109363.2867 298.6036 -161321.3372 -108995.0632 298.8245 -67.2079 -48.1437 761549.5494 -3.2493 -3.2823 PRESSURE: 3913800 -197.374 42.5109 -1.12046 42.51 -103.825 -107.087 -1.1207 -107.085 33.6066 GPRESSURE: 3913800 -208.187 41.4779 -87.1205 103.559 -63.23 -82.8209 188.746 32.9482 85.973 PRESSAVG: 3913800 -37.8137 25.6526 46.5727 25.6526 48.4214 -39.4975 46.5727 -39.4975 -11.0088 GPRESSAVG: 3913800 -38.6468 23.3424 47.6805 25.8748 48.0946 -37.1375 47.4403 -40.161 -10.2768 TIMING: 3913800 CPU: 12226.9, 0.00310901/step Wall: 12226.9, 0.00310901/step, 0.938056 hours remaining, 234.972656 MB of memory in use. ENERGY: 3913800 3961.9327 20529.6728 14485.4291 230.2551 -202874.3451 2560.8427 0.0000 0.0000 52007.8082 -109098.4044 298.8896 -161106.2126 -108739.2861 298.7011 -89.1973 -61.8146 764156.7475 -0.1337 -0.2763 PRESSURE: 3914000 -505.802 -154.592 124.988 -154.592 -343.836 293.275 124.988 293.276 -473.625 GPRESSURE: 3914000 -496.214 -70.9862 150.369 -89.9987 -323.918 280.738 99.3389 197.033 -430.697 PRESSAVG: 3914000 -37.1037 24.9489 0.615773 24.9488 -40.7125 20.0197 0.615745 20.0197 -20.7074 GPRESSAVG: 3914000 -36.5796 25.4027 0.374457 24.5503 -40.3164 20.1585 0.172844 19.0488 -21.733 TIMING: 3914000 CPU: 12227.5, 0.00311061/step Wall: 12227.5, 0.00311061/step, 0.938366 hours remaining, 234.972656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3914000 3974.9461 20504.9013 14450.6593 246.4098 -202973.3337 2282.4860 0.0000 0.0000 52392.4503 -109121.4809 301.1001 -161513.9311 -108746.4072 299.3958 -441.0879 -416.9426 763514.2349 -32.8412 -32.8763 PRESSURE: 3914200 -124.859 66.6568 109.009 66.6563 17.2406 -37.747 109.01 -37.7472 -161.954 GPRESSURE: 3914200 -73.8918 110.195 240.712 84.2482 -8.42464 -87.1686 -22.3634 -52.7774 -94.8989 PRESSAVG: 3914200 44.7506 -0.697292 -27.2912 -0.697255 -72.2849 4.26093 -27.2912 4.26093 -23.8007 GPRESSAVG: 3914200 45.2227 -1.09324 -28.7271 1.01773 -73.5762 3.40383 -28.8276 5.77993 -22.7182 TIMING: 3914200 CPU: 12228.1, 0.00311336/step Wall: 12228.1, 0.00311336/step, 0.939025 hours remaining, 234.972656 MB of memory in use. ENERGY: 3914200 4012.6378 20384.6347 14494.2294 256.7518 -202868.3469 2452.3361 0.0000 0.0000 52251.4539 -109016.3031 300.2898 -161267.7571 -108655.2028 300.0079 -89.8574 -59.0718 763972.6026 -17.1117 -17.0239 PRESSURE: 3914400 -134.496 89.1008 -108.765 89.1013 -208.699 68.1922 -108.765 68.1921 259.198 GPRESSURE: 3914400 -119.367 -37.131 -151.003 69.6509 -121.514 150.224 7.77874 86.2133 235.102 PRESSAVG: 3914400 9.75488 -6.51743 17.2081 -6.51736 -6.75121 -7.10643 17.2081 -7.10641 -7.17948 GPRESSAVG: 3914400 9.15371 -6.74621 18.8944 -6.58246 -6.64907 -6.97019 18.3596 -8.67597 -6.55553 TIMING: 3914400 CPU: 12228.7, 0.00311404/step Wall: 12228.7, 0.00311404/step, 0.939055 hours remaining, 234.972656 MB of memory in use. ENERGY: 3914400 4082.6107 20538.0179 14452.5412 245.5783 -203305.8374 2867.8578 0.0000 0.0000 52272.4615 -108846.7699 300.4106 -161119.2315 -108490.4593 299.8151 -27.9987 -1.9262 763012.4980 -1.3919 -1.3503 PRESSURE: 3914600 272.423 215.412 -74.8188 215.412 253.073 35.6167 -74.819 35.6169 268.686 GPRESSURE: 3914600 315.894 209.47 -18.5255 65.8821 239.227 27.4074 -274.614 18.2682 300.879 PRESSAVG: 3914600 -47.5326 21.5516 0.639105 21.5516 32.1466 33.546 0.639129 33.546 14.4661 GPRESSAVG: 3914600 -46.6471 24.1572 -0.622024 18.7101 31.9963 33.4028 0.797241 33.9858 13.2103 TIMING: 3914600 CPU: 12229.3, 0.00311059/step Wall: 12229.3, 0.00311059/step, 0.937842 hours remaining, 234.972656 MB of memory in use. ENERGY: 3914600 4014.8771 20584.4968 14454.6018 271.0521 -203255.8439 2858.6008 0.0000 0.0000 52036.2210 -109035.9943 299.0529 -161072.2153 -108675.4660 299.9343 264.7273 285.3335 762374.8400 -0.3066 -0.4802 PRESSURE: 3914800 -332.577 -15.8258 -43.3707 -15.8253 -437.781 -100.963 -43.3707 -100.963 -31.0036 GPRESSURE: 3914800 -439.638 -63.7977 -64.4081 -4.43943 -193.363 -91.0328 8.91347 -19.7636 -63.4882 PRESSAVG: 3914800 -3.47933 2.42556 -47.2198 2.4256 -2.18146 -58.4675 -47.2198 -58.4675 32.6148 GPRESSAVG: 3914800 -3.72359 1.4584 -46.177 3.24125 -2.89707 -57.9741 -46.1185 -58.3077 33.3327 TIMING: 3914800 CPU: 12230, 0.00311871/step Wall: 12230, 0.00311871/step, 0.940119 hours remaining, 234.972656 MB of memory in use. ENERGY: 3914800 4050.5246 20606.3655 14445.8136 253.7265 -202969.3226 2445.5216 0.0000 0.0000 52043.3962 -109123.9746 299.0941 -161167.3708 -108751.7621 299.3728 -267.1206 -232.1634 762643.4311 8.9847 8.9040 PRESSURE: 3915000 136.902 89.1374 174.358 89.1377 415.592 -121.002 174.359 -121.001 -332.223 GPRESSURE: 3915000 162.183 -29.9802 142.697 167.541 460.7 -165.667 66.6542 -30.4222 -316.523 PRESSAVG: 3915000 -5.62513 20.8133 -7.59005 20.8132 37.854 -41.2022 -7.59011 -41.2022 -12.888 GPRESSAVG: 3915000 -6.62538 20.0208 -9.02392 22.5729 38.7575 -41.2972 -7.79118 -41.1708 -12.8359 TIMING: 3915000 CPU: 12230.6, 0.00310892/step Wall: 12230.6, 0.00310892/step, 0.936992 hours remaining, 234.972656 MB of memory in use. ENERGY: 3915000 3993.7841 20691.0769 14410.3267 245.9104 -203146.8615 2803.9617 0.0000 0.0000 52363.9324 -108637.8694 300.9362 -161001.8018 -108264.3052 299.7036 73.4237 102.1202 762273.0086 6.4470 6.4321 PRESSURE: 3915200 10.3589 130.342 112.872 130.342 -342.969 -5.774 112.872 -5.77268 28.7888 GPRESSURE: 3915200 82.1083 160.653 191.61 107.489 -302.979 -47.2554 216.106 31.007 0.00838797 PRESSAVG: 3915200 16.9325 6.08492 -28.4561 6.08493 18.6163 -15.0269 -28.4561 -15.0269 1.90915 GPRESSAVG: 3915200 17.8519 5.29692 -28.6204 6.78919 17.0026 -16.8508 -26.9981 -14.3362 1.84318 TIMING: 3915200 CPU: 12231.2, 0.00311492/step Wall: 12231.2, 0.00311492/step, 0.938629 hours remaining, 234.972656 MB of memory in use. ENERGY: 3915200 4014.9093 20772.0643 14517.8121 243.7869 -203427.7006 2823.9909 0.0000 0.0000 52218.7724 -108836.3646 300.1020 -161055.1370 -108476.2532 300.1600 -101.2739 -73.6209 762725.1054 12.4860 12.2326 PRESSURE: 3915400 -381.752 148.757 300.777 148.757 -169.192 96.7736 300.777 96.7737 -85.4647 GPRESSURE: 3915400 -437.529 153.933 323.812 262.512 -94.7812 55.5459 353.2 114.494 -55.2657 PRESSAVG: 3915400 -16.7308 13.3822 -7.29394 13.3822 -10.8044 -20.9006 -7.29395 -20.9006 19.3609 GPRESSAVG: 3915400 -17.8949 13.8873 -5.52619 11.5779 -9.76774 -18.8898 -7.6866 -21.456 19.0981 TIMING: 3915400 CPU: 12231.8, 0.00310259/step Wall: 12231.8, 0.00310259/step, 0.934742 hours remaining, 234.972656 MB of memory in use. ENERGY: 3915400 4032.0797 20653.2411 14514.1368 242.8727 -202994.1427 2494.4714 0.0000 0.0000 52271.0837 -108786.2573 300.4026 -161057.3410 -108425.3371 300.4222 -212.1365 -195.8585 762378.9868 -2.7248 -2.8548 PRESSURE: 3915600 -66.9151 52.5476 220.021 52.548 -218.226 74.4146 220.021 74.4146 -111.483 GPRESSURE: 3915600 -13.7583 39.4566 216.358 41.2843 -191.225 102.507 309.684 22.4856 -105.947 PRESSAVG: 3915600 -9.11425 28.6799 32.1048 28.6799 21.6908 8.58926 32.1047 8.58923 20.9553 GPRESSAVG: 3915600 -8.15807 28.1194 30.9538 28.7203 21.9141 7.46712 30.8663 9.65445 20.3639 TIMING: 3915600 CPU: 12232.4, 0.00308543/step Wall: 12232.4, 0.00308543/step, 0.9294 hours remaining, 234.972656 MB of memory in use. ENERGY: 3915600 3994.1035 20538.2746 14508.2247 247.2878 -203364.5937 2754.2444 0.0000 0.0000 52343.4873 -108978.9714 300.8187 -161322.4587 -108599.9328 299.9237 -132.2082 -103.6435 761586.7562 11.1773 11.3733 PRESSURE: 3915800 -331.317 96.017 50.4364 96.0175 -191.541 -235.585 50.4371 -235.585 -60.3507 GPRESSURE: 3915800 -395.209 96.9614 -3.58485 10.0591 -166.073 -258.596 145.078 -111.113 58.7969 PRESSAVG: 3915800 -22.8518 -29.2977 28.2517 -29.2978 13.9082 29.1881 28.2517 29.188 6.63378 GPRESSAVG: 3915800 -24.3365 -29.6881 27.3443 -26.8539 15.4202 29.7184 28.5937 28.9 6.63847 TIMING: 3915800 CPU: 12233.1, 0.0030745/step Wall: 12233.1, 0.0030745/step, 0.925938 hours remaining, 234.972656 MB of memory in use. ENERGY: 3915800 4065.7210 20530.3925 14475.5995 230.9983 -202980.5747 2607.8506 0.0000 0.0000 52107.3161 -108962.6967 299.4615 -161070.0128 -108598.6680 300.1298 -194.4030 -167.4951 764546.0770 -0.7699 -0.7593 PRESSURE: 3916000 65.1913 202.346 -136.189 202.347 242.279 -179.234 -136.189 -179.234 176.741 GPRESSURE: 3916000 136.954 169.732 -49.4507 244.094 310.265 -65.4277 -112.663 -325.453 119.082 PRESSAVG: 3916000 -14.3747 10.2375 23.3238 10.2375 48.5892 -9.20887 23.3238 -9.20895 -7.68795 GPRESSAVG: 3916000 -13.547 9.54032 26.3694 9.16792 47.6539 -9.07276 20.375 -10.9835 -7.37325 TIMING: 3916000 CPU: 12233.7, 0.00310782/step Wall: 12233.7, 0.00310782/step, 0.9358 hours remaining, 234.972656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3916000 4007.4177 20607.8058 14455.7957 256.7743 -203465.8546 2953.8166 0.0000 0.0000 52339.4145 -108844.8300 300.7953 -161184.2445 -108486.6569 300.2305 161.4036 188.7670 761404.6822 8.8422 8.9112 PRESSURE: 3916200 4.89354 17.4171 -83.4356 17.417 -189.393 229.698 -83.4355 229.697 -220.514 GPRESSURE: 3916200 78.3732 4.49594 -124.886 41.2905 -214.521 188.415 38.323 206.724 -203.412 PRESSAVG: 3916200 -14.7578 17.0226 3.23062 17.0227 1.59434 50.0253 3.23071 50.0253 24.751 GPRESSAVG: 3916200 -15.655 17.3229 1.85732 16.9872 2.38668 49.9133 6.53588 51.5545 25.1839 TIMING: 3916200 CPU: 12234.3, 0.00311633/step Wall: 12234.3, 0.00311633/step, 0.938188 hours remaining, 234.972656 MB of memory in use. ENERGY: 3916200 3932.6715 20533.5068 14529.6967 262.4723 -203183.3152 2650.5658 0.0000 0.0000 52378.7687 -108895.6335 301.0215 -161274.4022 -108535.5910 299.9334 -135.0045 -113.1868 762509.4238 3.8625 3.9719 LDB: ============= START OF LOAD BALANCING ============== 12246.8 LDB: ============== END OF LOAD BALANCING =============== 12246.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12246.8 LDB: ============= START OF LOAD BALANCING ============== 12247.1 LDB: Largest compute 7051 load 0.028415 is 14.6% of average load 0.195246 LDB: Average compute 0.004385 is 2.2% of average load 0.195246 LDB: TIME 12247.1 LOAD: AVG 0.195246 MAX 0.213326 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.262 MB LDB: TIME 12247.1 LOAD: AVG 0.195246 MAX 0.213326 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.363 MB LDB: TIME 12247.1 LOAD: AVG 0.195246 MAX 0.213326 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.363 MB LDB: ============== END OF LOAD BALANCING =============== 12247.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12247.1 PRESSURE: 3916400 -44.7638 137.999 -109.407 137.999 154.728 -0.585353 -109.408 -0.585737 -46.5471 GPRESSURE: 3916400 103.848 132.939 -101.783 193.836 153.558 41.5776 -158.593 108.524 -93.7546 PRESSAVG: 3916400 45.8281 19.077 -1.26242 19.077 -55.8554 47.9407 -1.26252 47.9407 -13.2637 GPRESSAVG: 3916400 46.4381 21.2287 -2.07464 17.8614 -57.0576 49.3374 -1.12134 47.0816 -12.7949 TIMING: 3916400 CPU: 12234.9, 0.00318687/step Wall: 12234.9, 0.00318687/step, 0.959249 hours remaining, 234.453125 MB of memory in use. ENERGY: 3916400 4031.2242 20566.9041 14473.5232 257.0530 -203537.7757 2999.8983 0.0000 0.0000 52385.3781 -108823.7949 301.0595 -161209.1729 -108463.5653 300.3500 21.1390 54.5505 761749.6574 -7.7637 -7.8048 PRESSURE: 3916600 -109.2 246.02 -44.3452 246.02 177.491 30.7233 -44.345 30.7233 156.086 GPRESSURE: 3916600 -119.874 78.909 -39.016 220.583 271.328 17.9423 82.2204 123.667 148.826 PRESSAVG: 3916600 33.8384 -2.7317 73.2024 -2.73164 -30.2236 -2.61915 73.2025 -2.61909 -8.72611 GPRESSAVG: 3916600 34.3801 -3.51887 71.9498 -2.63521 -31.8079 -2.49647 74.6088 -0.601681 -7.77249 TIMING: 3916600 CPU: 12235.6, 0.0031016/step Wall: 12235.6, 0.0031016/step, 0.93341 hours remaining, 234.464844 MB of memory in use. ENERGY: 3916600 3944.8629 20562.1636 14490.0943 243.5685 -203251.2391 2771.3918 0.0000 0.0000 52228.0780 -109011.0799 300.1555 -161239.1580 -108652.3555 300.0901 74.7925 100.0935 763110.0705 -1.7038 -1.7334 PRESSURE: 3916800 157.526 28.1302 -4.57014 28.1302 198.067 -15.3755 -4.56948 -15.3747 -312.466 GPRESSURE: 3916800 144.543 160.51 66.871 -29.6688 292.901 28.5804 68.6619 48.0447 -294.841 PRESSAVG: 3916800 9.4679 22.263 27.6198 22.263 0.985182 1.11424 27.6197 1.1142 19.9087 GPRESSAVG: 3916800 9.46312 22.7201 28.5458 23.8193 2.57369 0.966753 26.1039 -1.1874 18.318 TIMING: 3916800 CPU: 12236.2, 0.00309465/step Wall: 12236.2, 0.00309465/step, 0.931146 hours remaining, 234.667969 MB of memory in use. ENERGY: 3916800 4072.8320 20592.9769 14498.7853 238.5966 -203473.7998 2972.0405 0.0000 0.0000 52048.6163 -109049.9522 299.1241 -161098.5685 -108682.6201 299.6375 14.3758 47.5341 762453.3400 10.1206 10.1183 PRESSURE: 3917000 188.013 -162.957 54.3187 -162.958 201.818 -45.5521 54.3196 -45.5521 526.301 GPRESSURE: 3917000 161.489 -94.883 -29.1933 -159.378 195.678 -67.439 157.826 14.5632 643.456 PRESSAVG: 3917000 24.4022 -5.42748 30.9876 -5.4275 -14.9991 -9.00027 30.9876 -9.00029 -4.95364 GPRESSAVG: 3917000 23.6601 -6.83117 30.9717 -5.593 -14.7746 -10.6193 32.1739 -7.39159 -4.32146 TIMING: 3917000 CPU: 12236.8, 0.00310002/step Wall: 12236.8, 0.00310002/step, 0.932589 hours remaining, 234.667969 MB of memory in use. ENERGY: 3917000 3917.2804 20749.9368 14406.8430 243.0664 -203415.2010 2951.2130 0.0000 0.0000 52044.6327 -109102.2289 299.1012 -161146.8615 -108753.0146 300.2003 305.3776 333.5406 762766.4616 1.4832 1.5213 PRESSURE: 3917200 -203.885 41.8405 -73.177 41.8402 -296.92 -27.7936 -73.177 -27.7932 -278.89 GPRESSURE: 3917200 -181.493 101.142 -182.945 110.466 -308.051 -8.76561 -33.5182 62.3894 -221.89 PRESSAVG: 3917200 -2.96835 -84.2008 -28.0348 -84.2009 -25.1052 25.364 -28.0347 25.3639 -0.753113 GPRESSAVG: 3917200 -2.91632 -81.5413 -26.9146 -85.3103 -25.604 26.5637 -29.9183 27.4932 -0.821002 TIMING: 3917200 CPU: 12237.4, 0.00310042/step Wall: 12237.4, 0.00310042/step, 0.932537 hours remaining, 234.667969 MB of memory in use. ENERGY: 3917200 4036.1302 20588.1766 14423.7423 257.2226 -203302.0233 2586.2944 0.0000 0.0000 52348.2213 -109062.2358 300.8459 -161410.4571 -108690.0655 300.1585 -259.8981 -237.1446 763818.4015 -9.6089 -9.7804 PRESSURE: 3917400 -333.616 97.4613 -52.9824 97.4613 -211.549 195.298 -52.9829 195.298 -236.424 GPRESSURE: 3917400 -311.901 166.532 -26.1314 53.945 -200.839 179.021 3.59837 87.4983 -190.73 PRESSAVG: 3917400 12.8471 -21.2738 -18.2264 -21.2738 -29.103 48.4302 -18.2264 48.4302 -4.66623 GPRESSAVG: 3917400 12.9963 -23.3472 -19.0405 -20.3623 -28.4867 49.4738 -18.5505 43.8827 -5.04408 TIMING: 3917400 CPU: 12238, 0.00309215/step Wall: 12238, 0.00309215/step, 0.929878 hours remaining, 234.667969 MB of memory in use. ENERGY: 3917400 4053.3063 20773.1345 14381.5199 233.2271 -203410.2971 2655.2044 0.0000 0.0000 52137.1839 -109176.7209 299.6331 -161313.9048 -108812.0146 300.7000 -260.5294 -234.4901 765127.3418 -6.9741 -6.8448 PRESSURE: 3917600 -502.591 -107.179 -71.3001 -107.18 -398.373 -147.497 -71.3001 -147.497 42.8093 GPRESSURE: 3917600 -416.966 -118.444 -130.106 -22.1375 -351.675 -188.357 102.902 -110.043 -13.2752 PRESSAVG: 3917600 61.2634 -19.5821 -26.0764 -19.5821 -56.2136 11.4124 -26.0764 11.4123 -19.4409 GPRESSAVG: 3917600 62.0909 -19.113 -26.472 -20.1365 -57.1012 9.0905 -23.8306 13.0228 -19.6205 TIMING: 3917600 CPU: 12238.7, 0.00314356/step Wall: 12238.7, 0.00314356/step, 0.945164 hours remaining, 234.667969 MB of memory in use. ENERGY: 3917600 4065.0962 20499.5068 14433.0846 273.2917 -203247.0118 2486.3771 0.0000 0.0000 52139.9183 -109349.7372 299.6488 -161489.6554 -108987.3989 299.6959 -286.0516 -260.6387 762613.5736 -4.7970 -4.8769 PRESSURE: 3917800 103.868 -18.2479 -54.548 -18.2475 164.396 132.186 -54.5474 132.186 364.32 GPRESSURE: 3917800 175.954 -56.2849 -118.142 9.33022 144.218 99.4701 -136.101 152.468 378.735 PRESSAVG: 3917800 -20.4456 -18.8459 -79.5019 -18.8459 10.4715 -10.8884 -79.5019 -10.8884 17.0671 GPRESSAVG: 3917800 -20.8118 -20.5811 -77.62 -17.6124 11.0107 -11.0242 -81.9522 -11.2001 17.3271 TIMING: 3917800 CPU: 12239.3, 0.00312236/step Wall: 12239.3, 0.00312236/step, 0.938615 hours remaining, 234.667969 MB of memory in use. ENERGY: 3917800 3993.4716 20524.6102 14461.8181 262.5318 -203822.8800 3009.4778 0.0000 0.0000 52069.5234 -109501.4470 299.2443 -161570.9704 -109138.4706 299.9226 210.8614 232.9692 760935.5004 2.3643 2.5087 PRESSURE: 3918000 61.9701 -11.4881 -25.8386 -11.4886 -33.0923 167.822 -25.8376 167.823 -603.908 GPRESSURE: 3918000 151.747 -42.6193 14.2685 -125.657 -48.0877 218.751 -47.5301 144.064 -604.271 PRESSAVG: 3918000 46.2297 -35.8488 -5.79925 -35.8487 -18.4039 24.5291 -5.79923 24.5291 -5.69461 GPRESSAVG: 3918000 46.4621 -32.1559 -6.69096 -36.2395 -19.3053 26.1625 -5.69847 24.6992 -5.51885 TIMING: 3918000 CPU: 12239.9, 0.0031266/step Wall: 12239.9, 0.0031266/step, 0.939717 hours remaining, 234.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3918000 4022.5685 20448.3035 14441.7911 241.0785 -202967.7428 2349.5960 0.0000 0.0000 52022.5940 -109441.8112 298.9746 -161464.4052 -109071.6537 299.0301 -191.6766 -166.8707 763407.9068 7.3771 7.2127 PRESSURE: 3918200 347.146 59.8895 -236.685 59.8896 111.31 165.386 -236.685 165.386 244.978 GPRESSURE: 3918200 437.761 39.128 -146.197 1.95463 96.0795 94.9491 -273.39 185.833 259.955 PRESSAVG: 3918200 -1.89262 34.6828 -55.4935 34.6828 -40.772 22.8838 -55.4935 22.8837 10.2046 GPRESSAVG: 3918200 -3.17133 31.2728 -55.1047 33.8529 -39.9243 23.665 -55.311 23.1375 10.5503 TIMING: 3918200 CPU: 12240.5, 0.00312734/step Wall: 12240.5, 0.00312734/step, 0.939766 hours remaining, 234.667969 MB of memory in use. ENERGY: 3918200 3995.2786 20645.8682 14363.9958 237.6077 -203705.1069 2958.2752 0.0000 0.0000 52092.6551 -109411.4263 299.3772 -161504.0814 -109059.0342 299.3248 234.4782 264.5984 759522.0274 -10.8200 -10.8484 PRESSURE: 3918400 -313.49 -56.7448 -8.80454 -56.7451 -227.974 30.7966 -8.80474 30.7971 -63.581 GPRESSURE: 3918400 -247.195 -129.071 45.331 -128.873 -145.142 7.33402 14.5644 68.0398 -128.736 PRESSAVG: 3918400 -9.37279 24.2976 5.91865 24.2976 -35.6203 57.6804 5.91874 57.6804 -13.5506 GPRESSAVG: 3918400 -8.93999 25.4936 6.84047 23.0811 -35.7277 58.2486 6.06712 57.744 -13.2089 TIMING: 3918400 CPU: 12241.2, 0.00312276/step Wall: 12241.2, 0.00312276/step, 0.938215 hours remaining, 234.667969 MB of memory in use. ENERGY: 3918400 4016.0309 20548.4882 14427.4381 250.2906 -203141.0998 2368.9068 0.0000 0.0000 52059.2685 -109470.6767 299.1853 -161529.9452 -109098.8717 298.5971 -201.6818 -173.6909 759893.0250 -19.5146 -19.2922 PRESSURE: 3918600 -262.039 128.407 -201.937 128.407 -306.605 158.913 -201.937 158.913 50.2411 GPRESSURE: 3918600 -287.913 161.879 -223.467 115.357 -193.717 109.795 -104.563 201.708 66.3286 PRESSAVG: 3918600 -27.205 5.83871 -8.71143 5.83864 0.631382 35.4669 -8.7114 35.4668 5.16458 GPRESSAVG: 3918600 -26.2245 5.90483 -9.59758 6.06698 0.580738 34.1907 -7.55625 35.4502 4.43365 TIMING: 3918600 CPU: 12241.8, 0.00311381/step Wall: 12241.8, 0.00311381/step, 0.935353 hours remaining, 234.667969 MB of memory in use. ENERGY: 3918600 4057.5237 20621.9665 14368.7030 265.0397 -203059.3520 2298.2071 0.0000 0.0000 52088.4141 -109359.4978 299.3528 -161447.9119 -108986.3833 299.3079 -172.8008 -138.4341 761627.5519 -7.1363 -7.0700 PRESSURE: 3918800 -155.565 -156.346 -374.409 -156.346 -210.472 23.373 -374.408 23.3728 191.472 GPRESSURE: 3918800 -179.184 -110.97 -419.44 -124.125 -100.785 -0.365488 -425.413 -62.3109 183.64 PRESSAVG: 3918800 2.58229 -41.557 7.593 -41.557 11.0577 41.3563 7.59297 41.3562 8.80241 GPRESSAVG: 3918800 1.88443 -40.3083 8.61225 -41.0236 9.77528 42.055 6.15933 42.2894 10.5617 TIMING: 3918800 CPU: 12242.4, 0.00312029/step Wall: 12242.4, 0.00312029/step, 0.937127 hours remaining, 234.667969 MB of memory in use. ENERGY: 3918800 4047.1052 20518.1751 14359.7433 218.6892 -202985.2454 2553.2188 0.0000 0.0000 51927.9519 -109360.3620 298.4307 -161288.3139 -108996.0094 299.5408 -58.1883 -32.1097 762281.7585 7.4808 7.4071 PRESSURE: 3919000 -107.638 -210.264 -142.611 -210.263 -325.413 -76.2022 -142.61 -76.2029 -675.45 GPRESSURE: 3919000 -27.8472 -138.006 -105.225 -183.934 -333.971 -99.8506 -13.5693 -88.1802 -661.316 PRESSAVG: 3919000 -2.55138 -34.4121 -22.8675 -34.4121 -6.58168 -0.143556 -22.8676 -0.143554 -17.2103 GPRESSAVG: 3919000 -2.51232 -36.3495 -24.4658 -33.0309 -5.38586 -1.46385 -20.8141 -0.893028 -18.9413 TIMING: 3919000 CPU: 12243, 0.00312064/step Wall: 12243, 0.00312064/step, 0.93706 hours remaining, 234.667969 MB of memory in use. ENERGY: 3919000 3994.3413 20474.5043 14424.9075 236.5037 -203198.6756 2692.9868 0.0000 0.0000 52028.2341 -109347.1980 299.0070 -161375.4320 -108985.4663 299.2005 -369.5005 -341.0448 763128.0762 -8.7811 -8.9465 PRESSURE: 3919200 -202.535 -132.713 28.1593 -132.714 -274.117 -35.7834 28.1586 -35.785 -373.978 GPRESSURE: 3919200 -245.46 -149.24 59.0762 -222.579 -218.494 -167.249 87.3173 25.0598 -330.823 PRESSAVG: 3919200 -2.44397 -44.2848 -33.5124 -44.2848 -7.01194 13.2669 -33.5124 13.2669 10.8995 GPRESSAVG: 3919200 -3.63295 -46.0912 -33.4345 -44.4161 -6.793 13.0071 -36.0086 14.0457 11.4807 TIMING: 3919200 CPU: 12243.7, 0.00312318/step Wall: 12243.7, 0.00312318/step, 0.937649 hours remaining, 234.667969 MB of memory in use. ENERGY: 3919200 3985.2381 20418.7047 14479.7179 223.4788 -203227.6846 2455.9511 0.0000 0.0000 52258.6708 -109405.9231 300.3313 -161664.5940 -109037.4581 299.0333 -283.5432 -264.9257 762936.8821 0.4812 0.3516 PRESSURE: 3919400 69.6848 -158.126 131.719 -158.127 15.2283 54.6838 131.72 54.6842 -108.561 GPRESSURE: 3919400 124.688 -209.413 194.651 -246.274 43.6531 77.4669 82.3197 121.948 -84.2575 PRESSAVG: 3919400 43.2544 -63.7704 56.2805 -63.7705 -30.9032 -11.3942 56.2805 -11.3942 -0.126105 GPRESSAVG: 3919400 44.2365 -62.9962 57.9221 -63.4313 -31.4788 -10.7968 57.6363 -12.1556 -0.684624 TIMING: 3919400 CPU: 12244.3, 0.00310396/step Wall: 12244.3, 0.00310396/step, 0.931706 hours remaining, 234.667969 MB of memory in use. ENERGY: 3919400 3962.0383 20373.5982 14461.9743 235.6384 -203439.1455 2856.0902 0.0000 0.0000 52092.0936 -109457.7124 299.3740 -161549.8060 -109100.9859 298.8579 -7.8828 28.0278 761085.3287 4.0750 4.0243 PRESSURE: 3919600 -214.322 -77.9726 -31.2002 -77.9727 -401.324 66.0336 -31.2 66.0337 99.5261 GPRESSURE: 3919600 -149.176 -83.9742 -25.7215 -25.5292 -271.183 4.56839 -105.31 58.51 0.126856 PRESSAVG: 3919600 4.62967 -47.9332 -21.2381 -47.9332 -45.2406 -17.9448 -21.2381 -17.9448 20.6707 GPRESSAVG: 3919600 4.49815 -47.4116 -23.9339 -47.0855 -45.1647 -18.6557 -22.084 -17.3841 20.9312 TIMING: 3919600 CPU: 12244.9, 0.00313305/step Wall: 12244.9, 0.00313305/step, 0.940264 hours remaining, 234.667969 MB of memory in use. ENERGY: 3919600 3960.9382 20435.5312 14490.5767 258.1208 -203117.4116 2342.1941 0.0000 0.0000 52215.3965 -109414.6541 300.0826 -161630.0506 -109045.1237 299.2708 -172.0398 -140.0774 762766.5664 -6.6467 -6.5785 PRESSURE: 3919800 -87.5596 -34.0169 -44.2312 -34.0173 54.6416 -84.8635 -44.2311 -84.8632 42.4549 GPRESSURE: 3919800 -86.8286 -16.8064 -91.4955 -23.4089 108.936 -110.744 -81.8415 -82.7053 63.2339 PRESSAVG: 3919800 7.53144 18.2662 -24.708 18.2662 15.2935 -14.2472 -24.708 -14.2473 -8.06504 GPRESSAVG: 3919800 6.90288 20.9471 -23.155 14.9714 15.4013 -13.0809 -24.2695 -11.7574 -7.44811 TIMING: 3919800 CPU: 12245.5, 0.00312743/step Wall: 12245.5, 0.00312743/step, 0.938404 hours remaining, 234.656250 MB of memory in use. ENERGY: 3919800 4002.6886 20534.8063 14438.4820 230.8091 -203119.0220 2499.0804 0.0000 0.0000 52150.1645 -109262.9911 299.7077 -161413.1557 -108894.4185 299.2393 3.1790 28.4471 760287.1779 4.9200 4.9520 PRESSURE: 3920000 -40.977 5.4076 91.6405 5.40746 -67.6928 -167.976 91.6388 -167.976 -66.1996 GPRESSURE: 3920000 -2.14276 -218.818 51.1252 -76.3742 -67.1015 -91.1727 -3.38507 -137.894 -6.9808 PRESSAVG: 3920000 35.9232 -14.8844 9.27971 -14.8843 -64.3251 38.0099 9.27971 38.0099 12.2197 GPRESSAVG: 3920000 35.8326 -16.5434 8.72261 -14.9086 -63.2604 39.2682 8.03498 34.9335 10.9052 TIMING: 3920000 CPU: 12246.2, 0.00312801/step Wall: 12246.2, 0.00312801/step, 0.938404 hours remaining, 234.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3920000 4025.9251 20498.7536 14416.3195 242.7645 -203362.2264 2557.9848 0.0000 0.0000 52179.5489 -109440.9300 299.8766 -161620.4789 -109079.7160 299.6117 -58.2898 -25.4084 761094.9027 -5.3941 -5.5075 PRESSURE: 3920200 -287.911 -236.277 -76.9906 -236.277 -70.2203 -42.5612 -76.9912 -42.5622 -203.385 GPRESSURE: 3920200 -142.999 -313.335 55.8392 -183.751 -174.224 -9.93574 -54.0417 3.00516 -159.472 PRESSAVG: 3920200 -19.2106 -41.6842 -1.69766 -41.6842 19.7748 -8.53047 -1.69769 -8.53048 -2.46969 GPRESSAVG: 3920200 -18.4463 -41.1501 -1.25105 -42.1454 16.3796 -10.4899 -1.22396 -7.58947 0.337454 TIMING: 3920200 CPU: 12246.8, 0.00313769/step Wall: 12246.8, 0.00313769/step, 0.941133 hours remaining, 234.667969 MB of memory in use. ENERGY: 3920200 3938.8823 20659.2976 14513.2411 234.2692 -203467.8505 2406.6269 0.0000 0.0000 52065.2842 -109650.2491 299.2199 -161715.5333 -109290.8235 299.2414 -187.1720 -158.8982 762244.8430 -0.6352 -0.5764 LDB: ============= START OF LOAD BALANCING ============== 12259.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12259.3 LDB: =============== DONE WITH MIGRATION ================ 12259.3 LDB: ============= START OF LOAD BALANCING ============== 12259.6 LDB: Largest compute 7051 load 0.029192 is 14.9% of average load 0.195272 LDB: Average compute 0.004383 is 2.2% of average load 0.195272 LDB: TIME 12259.6 LOAD: AVG 0.195272 MAX 0.215474 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.793 MB LDB: TIME 12259.6 LOAD: AVG 0.195272 MAX 0.215474 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.793 MB LDB: TIME 12259.6 LOAD: AVG 0.195272 MAX 0.215474 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.793 MB LDB: ============== END OF LOAD BALANCING =============== 12259.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12259.6 PRESSURE: 3920400 -61.1323 -85.1085 -132.388 -85.108 -105.168 117.636 -132.388 117.636 -0.917124 GPRESSURE: 3920400 -70.3742 -74.8422 -165.809 -23.1369 34.3753 131.783 -88.4423 80.0013 -49.6905 PRESSAVG: 3920400 -69.7849 35.746 13.2067 35.7461 14.9694 7.14063 13.2067 7.14074 -2.45383 GPRESSAVG: 3920400 -68.7977 35.8535 11.8787 37.4056 16.1151 8.85366 15.2374 7.92901 -4.36283 TIMING: 3920400 CPU: 12247.4, 0.00318624/step Wall: 12247.4, 0.00318624/step, 0.955519 hours remaining, 233.750000 MB of memory in use. ENERGY: 3920400 4042.2435 20738.2899 14518.1833 206.6990 -203166.4547 2541.3716 0.0000 0.0000 51587.6532 -109532.0141 296.4750 -161119.6673 -109174.4585 298.7795 -55.7390 -28.5631 762273.5067 -19.0898 -19.0151 PRESSURE: 3920600 -603.072 94.7344 170.414 94.7346 324.901 -65.1914 170.414 -65.1915 39.3885 GPRESSURE: 3920600 -554.767 49.6824 185.886 5.51807 325.527 -85.5091 137.898 -73.3526 65.5001 PRESSAVG: 3920600 -60.7254 -24.2238 -7.84772 -24.2238 2.25148 13.1214 -7.84774 13.1213 13.0103 GPRESSAVG: 3920600 -62.2441 -24.8014 -7.39872 -26.0105 4.29255 13.7742 -7.73439 9.17852 12.2498 TIMING: 3920600 CPU: 12248.1, 0.00312827/step Wall: 12248.1, 0.00312827/step, 0.937959 hours remaining, 234.011719 MB of memory in use. ENERGY: 3920600 4054.4327 20565.3141 14398.5127 273.1136 -203140.5637 2486.6003 0.0000 0.0000 51887.8813 -109474.7089 298.2004 -161362.5902 -109108.7806 298.9884 -79.5943 -54.5797 761588.9253 -15.1546 -15.2339 PRESSURE: 3920800 -352.87 -36.8231 116.456 -36.8235 -281.348 158.459 116.456 158.458 60.9539 GPRESSURE: 3920800 -362.957 48.596 19.3329 15.4953 -259.749 163.731 -15.0288 56.9728 141.102 PRESSAVG: 3920800 -14.3703 -42.1808 55.938 -42.1808 34.1396 18.4124 55.9381 18.4123 -14.9922 GPRESSAVG: 3920800 -13.7413 -42.0429 55.5067 -40.4019 32.1918 17.3536 54.6961 19.039 -13.9349 TIMING: 3920800 CPU: 12248.7, 0.00312671/step Wall: 12248.7, 0.00312671/step, 0.937319 hours remaining, 234.011719 MB of memory in use. ENERGY: 3920800 3988.0748 20619.4870 14401.4867 235.5769 -203322.9315 2563.5520 0.0000 0.0000 51945.1204 -109569.6336 298.5293 -161514.7540 -109209.6580 299.2880 -191.0879 -160.5346 762189.0148 1.5924 1.5052 PRESSURE: 3921000 -21.7081 95.2032 -381.573 95.2026 -181.044 -84.9026 -381.572 -84.903 -243.688 GPRESSURE: 3921000 94.2004 89.4212 -431.783 -2.0807 -192.539 -31.0166 -327.522 -162.439 -249.482 PRESSAVG: 3921000 -11.2015 24.2366 -34.7306 24.2366 -10.0867 -28.3245 -34.7305 -28.3246 7.44309 GPRESSAVG: 3921000 -11.7596 23.6168 -32.8434 22.9049 -9.3648 -26.3848 -35.9007 -26.5326 7.21284 TIMING: 3921000 CPU: 12249.3, 0.00312268/step Wall: 12249.3, 0.00312267/step, 0.935935 hours remaining, 234.011719 MB of memory in use. ENERGY: 3921000 4005.8179 20547.0140 14488.3768 240.5137 -203370.8466 2630.1990 0.0000 0.0000 51842.5392 -109616.3860 297.9398 -161458.9253 -109260.8838 299.4342 -148.8133 -115.9404 762345.6292 -4.6150 -4.6372 PRESSURE: 3921200 -586.306 -143.793 365.108 -143.793 -34.6304 -123.57 365.108 -123.57 141.902 GPRESSURE: 3921200 -561.354 -208.615 360.673 -81.573 -39.541 -92.0172 284.465 -190.918 187.738 PRESSAVG: 3921200 -26.6206 -10.4595 -18.3044 -10.4594 1.21283 1.15956 -18.3044 1.15955 -13.3372 GPRESSAVG: 3921200 -25.865 -10.4444 -18.4521 -8.79793 -0.316138 -0.672714 -18.057 -0.1651 -12.4331 TIMING: 3921200 CPU: 12249.9, 0.00311748/step Wall: 12249.9, 0.00311748/step, 0.934206 hours remaining, 234.011719 MB of memory in use. ENERGY: 3921200 3957.5973 20657.5849 14450.7894 247.8440 -203185.0299 2368.1258 0.0000 0.0000 51638.2929 -109864.7956 296.7660 -161503.0885 -109496.7194 298.8860 -159.6781 -137.7190 763576.1502 -12.9150 -12.8714 PRESSURE: 3921400 -258.292 -231.054 -87.7938 -231.054 221.72 195.855 -87.7942 195.856 91.1108 GPRESSURE: 3921400 -177.827 -228.787 -95.9391 -233.011 251.273 140.267 -37.0013 65.7574 53.6812 PRESSAVG: 3921400 -44.0123 -31.7197 -39.5432 -31.7197 -11.6408 1.82659 -39.5432 1.82665 1.28274 GPRESSAVG: 3921400 -44.109 -30.7048 -39.9432 -32.918 -11.5204 2.26546 -39.9832 1.2321 1.76192 TIMING: 3921400 CPU: 12250.6, 0.00311054/step Wall: 12250.6, 0.00311054/step, 0.931952 hours remaining, 234.011719 MB of memory in use. ENERGY: 3921400 4083.1254 20581.2295 14453.8012 250.3358 -203588.1810 2642.9120 0.0000 0.0000 51888.2402 -109688.5369 298.2024 -161576.7771 -109327.3052 298.2965 18.1795 42.3757 760658.2055 -18.1235 -17.9558 PRESSURE: 3921600 -120.509 -63.0969 35.0775 -63.0965 276.686 21.9372 35.0772 21.9374 414.635 GPRESSURE: 3921600 -14.9127 -41.9527 38.6596 -96.9322 260.721 -8.06647 50.9871 8.35137 406.708 PRESSAVG: 3921600 -34.5835 -16.0877 13.0836 -16.0878 29.4159 24.0006 13.0836 24.0006 3.41438 GPRESSAVG: 3921600 -34.5157 -16.0794 14.1194 -15.1124 30.3965 24.0829 12.74 23.9675 1.89174 TIMING: 3921600 CPU: 12251.2, 0.00312141/step Wall: 12251.2, 0.00312141/step, 0.935035 hours remaining, 234.078125 MB of memory in use. ENERGY: 3921600 3980.1745 20554.0192 14388.7190 234.2351 -204101.0182 3116.4527 0.0000 0.0000 51921.0602 -109906.3575 298.3910 -161827.4176 -109552.9569 298.8344 190.2704 217.5053 760020.3614 -0.5844 -0.7425 PRESSURE: 3921800 -172.192 194.516 99.214 194.515 -213.91 -88.3946 99.2144 -88.395 512.771 GPRESSURE: 3921800 -125.517 218.103 112.612 165.588 -161.525 -75.5736 103.561 56.0375 512.13 PRESSAVG: 3921800 -33.9256 -26.1396 23.2146 -26.1395 43.4701 14.0543 23.2146 14.0542 11.9438 GPRESSAVG: 3921800 -33.7115 -26.0199 21.4202 -25.9889 43.4281 15.2788 24.7305 13.6838 12.42 TIMING: 3921800 CPU: 12251.8, 0.00312078/step Wall: 12251.8, 0.00312078/step, 0.934674 hours remaining, 234.078125 MB of memory in use. ENERGY: 3921800 3994.0808 20492.5958 14399.5554 255.7590 -203829.3094 2717.2755 0.0000 0.0000 52295.2434 -109674.7995 300.5415 -161970.0429 -109310.9941 298.4247 42.2231 75.0291 761881.4932 7.1628 7.3789 PRESSURE: 3922000 -262.153 -62.4239 40.75 -62.4246 -442.381 177.976 40.7508 177.976 -485.084 GPRESSURE: 3922000 -266.33 -145.879 -5.69968 -33.5816 -343.44 186.375 -66.1713 139.209 -513.471 PRESSAVG: 3922000 -16.8867 26.6 23.6548 26.6 7.44656 51.3718 23.6548 51.3718 -2.38063 GPRESSAVG: 3922000 -16.4508 26.3886 25.286 25.6188 7.84079 50.1536 20.0523 51.8672 -2.47266 TIMING: 3922000 CPU: 12252.4, 0.00312398/step Wall: 12252.4, 0.00312398/step, 0.935458 hours remaining, 234.078125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3922000 4006.5866 20568.5488 14487.5413 226.6006 -203663.6140 2506.2636 0.0000 0.0000 51974.8946 -109893.1787 298.7004 -161868.0733 -109535.5432 298.6829 -396.5392 -374.4137 762845.4840 -3.9402 -3.6942 PRESSURE: 3922200 -277.405 1.54683 -48.9769 1.54724 49.5095 149.353 -48.9769 149.354 -299.134 GPRESSURE: 3922200 -246.433 -80.2687 -63.6718 35.5295 72.0945 143.11 -14.1674 51.6226 -270.507 PRESSAVG: 3922200 20.1867 5.26784 -10.7359 5.26795 23.2151 5.8609 -10.736 5.86087 -5.74736 GPRESSAVG: 3922200 20.2346 3.62625 -10.0906 6.21978 21.7907 5.86076 -7.8815 7.29118 -4.42563 TIMING: 3922200 CPU: 12253, 0.0031149/step Wall: 12253, 0.0031149/step, 0.932565 hours remaining, 234.078125 MB of memory in use. ENERGY: 3922200 4015.7439 20569.7431 14396.2559 233.2522 -203812.0851 2678.4862 0.0000 0.0000 52012.2600 -109906.3437 298.9152 -161918.6037 -109545.9780 298.5853 -175.6766 -148.2818 760555.6813 12.5515 12.5332 PRESSURE: 3922400 -354.641 124.211 -157.764 124.21 105.866 152.372 -157.763 152.374 29.0193 GPRESSURE: 3922400 -255.052 139.799 -102.666 134.546 24.3787 211.823 -145.26 19.802 98.0001 PRESSAVG: 3922400 4.78802 13.7062 9.44349 13.7063 14.6133 32.5779 9.44353 32.5779 4.42139 GPRESSAVG: 3922400 3.5624 14.0974 7.72243 13.8334 14.8907 32.9186 9.53686 32.2042 5.67495 TIMING: 3922400 CPU: 12253.7, 0.00312362/step Wall: 12253.7, 0.00312362/step, 0.935003 hours remaining, 234.078125 MB of memory in use. ENERGY: 3922400 4071.8847 20425.9714 14453.3882 244.5094 -203451.2283 2663.7161 0.0000 0.0000 51828.9019 -109762.8566 297.8614 -161591.7585 -109406.4169 298.0570 -73.2520 -44.2244 760641.6192 7.9409 8.0427 PRESSURE: 3922600 197.164 -117.115 41.0798 -117.115 -348.077 -232.765 41.0801 -232.764 -442.163 GPRESSURE: 3922600 160.864 -101.129 33.2969 -118.862 -252.817 -168.093 33.3044 -270.425 -427.945 PRESSAVG: 3922600 -34.9139 -12.794 -55.8461 -12.7941 0.818449 -6.19869 -55.846 -6.19863 25.8961 GPRESSAVG: 3922600 -34.0397 -10.8215 -53.524 -15.1125 1.47278 -6.1168 -57.7984 -7.96531 24.3693 TIMING: 3922600 CPU: 12254.3, 0.0031192/step Wall: 12254.3, 0.0031192/step, 0.933508 hours remaining, 234.078125 MB of memory in use. ENERGY: 3922600 3989.8093 20341.4037 14417.3071 248.4096 -203246.3158 2552.5570 0.0000 0.0000 51981.4551 -109715.3740 298.7381 -161696.8291 -109351.7823 298.4818 -197.6917 -173.2991 760842.7355 -2.7331 -2.7325 PRESSURE: 3922800 -217.061 99.5651 -19.692 99.5651 27.6306 80.7056 -19.6927 80.7052 -312.542 GPRESSURE: 3922800 -82.3359 51.4533 -13.9015 149.312 40.9247 81.908 25.2756 -33.1072 -369.638 PRESSAVG: 3922800 59.7936 -55.935 -19.1046 -55.935 -38.3775 -22.6218 -19.1046 -22.6218 19.2737 GPRESSAVG: 3922800 59.6307 -55.9633 -19.4507 -55.6466 -37.8048 -19.9675 -17.6773 -22.6715 18.6871 TIMING: 3922800 CPU: 12254.9, 0.00310365/step Wall: 12254.9, 0.00310365/step, 0.92868 hours remaining, 234.078125 MB of memory in use. ENERGY: 3922800 4051.2192 20397.3833 14459.1530 243.2439 -203270.1201 2469.7084 0.0000 0.0000 51978.7445 -109670.6679 298.7226 -161649.4124 -109304.4958 298.6362 -167.3242 -137.0165 759652.3642 13.5633 13.5043 PRESSURE: 3923000 -83.2683 -28.8117 232.937 -28.8118 -802.856 53.6965 232.938 53.6971 -101.685 GPRESSURE: 3923000 -53.587 -184.831 249.629 133.328 -722.455 51.711 50.5727 -22.8378 -118.175 PRESSAVG: 3923000 74.785 3.08729 -29.0726 3.08739 -36.8787 2.14269 -29.0726 2.14258 -10.1793 GPRESSAVG: 3923000 74.9547 0.519605 -30.1517 6.64124 -37.5744 -1.20803 -31.023 2.21724 -9.06339 TIMING: 3923000 CPU: 12255.5, 0.00311197/step Wall: 12255.5, 0.00311197/step, 0.930998 hours remaining, 234.078125 MB of memory in use. ENERGY: 3923000 3983.4727 20471.7646 14516.8369 261.8793 -202946.2358 2169.1817 0.0000 0.0000 51897.5969 -109645.5036 298.2562 -161543.1005 -109281.7755 298.5872 -329.2700 -298.0724 761616.1201 9.2423 9.4389 PRESSURE: 3923200 -5.42158 -234.223 97.4016 -234.223 248.969 -113.936 97.4022 -113.936 536.011 GPRESSURE: 3923200 91.5943 -208.499 40.4071 -349.91 215.295 -133.107 113.038 -19.765 545.804 PRESSAVG: 3923200 29.1741 -52.1283 5.20992 -52.1283 -42.8631 52.6732 5.20997 52.6733 20.4268 GPRESSAVG: 3923200 31.224 -51.2926 6.22634 -54.8497 -43.5614 53.4732 5.64852 53.0114 18.4046 TIMING: 3923200 CPU: 12256.2, 0.00309551/step Wall: 12256.2, 0.00309551/step, 0.925901 hours remaining, 234.078125 MB of memory in use. ENERGY: 3923200 3933.5897 20600.2350 14389.4510 247.0425 -203725.8968 2845.2086 0.0000 0.0000 52183.2360 -109527.1340 299.8978 -161710.3701 -109172.4788 298.9378 259.8530 284.2311 760599.1865 2.2459 2.0224 PRESSURE: 3923400 424.621 97.4457 7.41993 97.4465 35.9798 46.8158 7.42152 46.8153 -31.5063 GPRESSURE: 3923400 338.148 85.1767 -36.6979 27.5527 100.003 -48.2863 119.847 124.097 58.4401 PRESSAVG: 3923400 13.6774 0.756663 3.84504 0.756621 -6.71802 -17.1858 3.84502 -17.1859 -21.0606 GPRESSAVG: 3923400 12.6332 0.0737931 3.62241 0.0433767 -6.65896 -18.4002 4.37835 -16.2009 -20.2139 TIMING: 3923400 CPU: 12256.8, 0.0031131/step Wall: 12256.8, 0.0031131/step, 0.930989 hours remaining, 234.078125 MB of memory in use. ENERGY: 3923400 3979.9409 20615.4941 14422.3833 265.3729 -203356.2163 2672.6005 0.0000 0.0000 52002.4329 -109397.9917 298.8587 -161400.4246 -109039.5515 299.2809 143.0316 165.5303 761118.0613 -4.7004 -4.7465 PRESSURE: 3923600 -234.962 -26.5761 116.379 -26.5761 -36.0885 -21.6817 116.378 -21.6821 35.8491 GPRESSURE: 3923600 -183.669 -66.0985 62.6196 6.40947 34.429 29.3838 161.179 89.9059 10.4287 PRESSAVG: 3923600 16.7293 12.4975 -43.9897 12.4975 20.8561 -35.352 -43.9897 -35.3519 -14.4705 GPRESSAVG: 3923600 16.9902 14.8196 -46.3657 13.4553 20.8447 -34.7084 -43.7276 -36.464 -14.3024 TIMING: 3923600 CPU: 12257.4, 0.00311308/step Wall: 12257.4, 0.00311308/step, 0.930811 hours remaining, 234.078125 MB of memory in use. ENERGY: 3923600 3950.1313 20454.2941 14470.2440 234.4669 -203254.8804 2715.7837 0.0000 0.0000 52180.0995 -109249.8610 299.8797 -161429.9605 -108895.0667 299.3967 -78.4005 -46.2705 763870.6420 7.7050 7.8442 PRESSURE: 3923800 249.384 -70.8674 -26.7691 -70.8674 252.78 -26.6823 -26.7691 -26.6812 -107.982 GPRESSURE: 3923800 242.964 -24.1236 22.342 -91.6091 288.254 18.2904 -30.8408 -48.4022 -56.6947 PRESSAVG: 3923800 -4.08359 4.0536 -64.7575 4.05364 11.9982 28.7357 -64.7575 28.7357 1.21914 GPRESSAVG: 3923800 -5.75364 4.38033 -63.1307 3.79553 12.4938 29.8786 -63.3008 26.8414 2.02775 TIMING: 3923800 CPU: 12258, 0.00309841/step Wall: 12258, 0.00309841/step, 0.926252 hours remaining, 234.078125 MB of memory in use. ENERGY: 3923800 3918.5246 20427.6551 14389.6845 233.9456 -203732.2933 3068.6915 0.0000 0.0000 52341.8457 -109351.9464 300.8093 -161693.7921 -108984.7031 299.4487 131.3940 158.1745 761898.3354 3.0446 2.9227 PRESSURE: 3924000 -118.203 -107.421 95.1781 -107.42 -40.9216 -219.324 95.1784 -219.325 188.795 GPRESSURE: 3924000 -125.959 -164.945 101.646 -115.81 -11.0888 -149.453 -20.5329 -185.429 236.892 PRESSAVG: 3924000 -48.8898 7.45713 -16.134 7.45713 -3.71585 8.62969 -16.134 8.62964 -7.4016 GPRESSAVG: 3924000 -48.4066 7.40281 -14.3345 7.29829 -3.4731 9.79708 -17.5164 9.92187 -7.80356 TIMING: 3924000 CPU: 12258.6, 0.00311856/step Wall: 12258.6, 0.00311856/step, 0.932103 hours remaining, 234.078125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3924000 3942.1397 20483.1665 14419.3539 246.2203 -203350.1246 2835.1310 0.0000 0.0000 52019.8688 -109404.2445 298.9589 -161424.1133 -109044.0286 299.1524 9.8901 33.2815 764387.2050 -20.0024 -19.8944 PRESSURE: 3924200 -117.995 -28.5066 39.7635 -28.5075 -226.492 -82.4694 39.7634 -82.4699 102.556 GPRESSURE: 3924200 -32.8005 37.9772 99.1119 -107.795 -241.908 -87.5266 -4.07421 -48.1188 87.3572 PRESSAVG: 3924200 -84.4035 -43.4834 23.749 -43.4834 101.358 62.7612 23.749 62.7612 12.1928 GPRESSAVG: 3924200 -85.1374 -44.0849 23.0496 -42.8708 100.414 61.4219 24.5458 62.2431 13.5817 TIMING: 3924200 CPU: 12259.3, 0.00310783/step Wall: 12259.3, 0.00310783/step, 0.928723 hours remaining, 234.078125 MB of memory in use. ENERGY: 3924200 3940.1641 20632.3641 14406.0130 237.5738 -203303.5723 2791.7598 0.0000 0.0000 52039.2156 -109256.4819 299.0701 -161295.6975 -108898.1496 299.0777 -80.6435 -62.4503 764991.6523 9.7157 9.6194 LDB: ============= START OF LOAD BALANCING ============== 12271.7 LDB: ============== END OF LOAD BALANCING =============== 12271.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12271.7 LDB: ============= START OF LOAD BALANCING ============== 12272.1 LDB: Largest compute 7026 load 0.027903 is 14.3% of average load 0.195225 LDB: Average compute 0.004395 is 2.3% of average load 0.195225 LDB: TIME 12272.1 LOAD: AVG 0.195225 MAX 0.217355 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.613 MB LDB: TIME 12272.1 LOAD: AVG 0.195225 MAX 0.217355 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.617 MB LDB: TIME 12272.1 LOAD: AVG 0.195225 MAX 0.217355 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.617 MB LDB: ============== END OF LOAD BALANCING =============== 12272.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12272.1 PRESSURE: 3924400 -313.483 -120.046 276.817 -120.046 -263.864 12.5834 276.818 12.5844 -83.0583 GPRESSURE: 3924400 -260.263 -25.2942 186.913 11.6073 -224.902 16.078 316.14 49.7907 -67.4222 PRESSAVG: 3924400 -1.74963 -26.4914 -21.8623 -26.4914 5.34393 22.9638 -21.8623 22.9639 -10.9499 GPRESSAVG: 3924400 -2.0019 -28.304 -21.6791 -25.3098 5.10419 22.7554 -23.5394 23.0948 -10.577 TIMING: 3924400 CPU: 12259.9, 0.00317774/step Wall: 12259.9, 0.00317774/step, 0.949439 hours remaining, 235.542969 MB of memory in use. ENERGY: 3924400 3977.0593 20501.3742 14462.5290 261.5795 -203034.3004 2455.5281 0.0000 0.0000 52071.7664 -109304.4639 299.2572 -161376.2303 -108941.5177 299.2842 -220.1350 -184.1956 763992.9552 -2.4519 -2.4916 PRESSURE: 3924600 202.119 11.2352 -60.5228 11.2351 -112.378 -94.2668 -60.5233 -94.2668 391.282 GPRESSURE: 3924600 242.576 -44.4052 -56.9992 -148.244 -104.594 -66.183 18.1843 -76.2607 413.436 PRESSAVG: 3924600 58.2943 -65.4517 -8.48962 -65.4517 -9.4043 -18.6564 -8.48954 -18.6563 11.3859 GPRESSAVG: 3924600 58.7087 -63.9179 -9.01154 -67.314 -9.16531 -18.6169 -6.67082 -19.8624 10.2888 TIMING: 3924600 CPU: 12260.5, 0.00310877/step Wall: 12260.5, 0.00310877/step, 0.92866 hours remaining, 235.804688 MB of memory in use. ENERGY: 3924600 4006.3852 20457.8663 14424.7549 249.3070 -203614.2240 2903.9919 0.0000 0.0000 52186.1708 -109385.7478 299.9146 -161571.9186 -109020.5761 299.2237 160.3411 183.8060 764370.8146 20.0920 19.9441 PRESSURE: 3924800 -43.386 -172.204 -154.343 -172.204 49.97 -117.794 -154.343 -117.793 -76.7658 GPRESSURE: 3924800 -9.7578 -178.283 -107.143 -98.0767 54.7499 -155.482 -251.89 59.0884 -20.6279 PRESSAVG: 3924800 -53.9555 37.3599 20.9089 37.3598 -7.90615 1.48322 20.9089 1.48318 -23.6918 GPRESSAVG: 3924800 -53.3101 34.6336 19.8174 39.6692 -9.05257 0.485205 21.0208 4.15752 -23.5912 TIMING: 3924800 CPU: 12261.1, 0.00311318/step Wall: 12261.1, 0.00311318/step, 0.929802 hours remaining, 235.804688 MB of memory in use. ENERGY: 3924800 4011.1917 20597.9217 14379.1289 266.8617 -203340.5680 2588.9772 0.0000 0.0000 52168.8045 -109327.6823 299.8148 -161496.4868 -108972.7191 299.1883 -23.3940 8.1214 763658.0053 -28.5178 -28.6513 PRESSURE: 3925000 201.989 113.771 228.717 113.771 44.0603 -49.9279 228.718 -49.9289 -353.476 GPRESSURE: 3925000 270.56 81.1308 218.7 -7.24739 110.288 -118.885 223.069 -38.7893 -414.667 PRESSAVG: 3925000 -2.60637 -10.1827 50.3327 -10.1826 11.7254 16.5002 50.3327 16.5002 -8.66003 GPRESSAVG: 3925000 -4.26169 -6.38093 51.7934 -12.0587 13.5015 17.1786 49.4826 16.433 -8.76337 TIMING: 3925000 CPU: 12261.8, 0.00309588/step Wall: 12261.8, 0.00309588/step, 0.924465 hours remaining, 235.816406 MB of memory in use. ENERGY: 3925000 3999.5979 20579.9652 14523.3387 228.3519 -203619.6871 2901.8539 0.0000 0.0000 51840.3984 -109546.1812 297.9275 -161386.5796 -109187.0084 299.1084 -35.8091 -11.2730 762226.9917 0.1530 0.1588 PRESSURE: 3925200 -145.354 -291.043 -198.152 -291.043 -128.403 -77.5814 -198.153 -77.5806 -94.2916 GPRESSURE: 3925200 -155.349 -187.125 -276.881 -195.061 -158.818 -60.8097 9.87428 -166.642 39.1368 PRESSAVG: 3925200 -48.4906 -59.6707 12.5762 -59.6707 67.6953 -22.5996 12.5762 -22.5996 -12.5908 GPRESSAVG: 3925200 -49.1551 -60.2418 11.3331 -58.8838 66.6472 -21.9757 11.9539 -24.7953 -11.0455 TIMING: 3925200 CPU: 12262.4, 0.00310316/step Wall: 12262.4, 0.00310316/step, 0.926467 hours remaining, 236.019531 MB of memory in use. ENERGY: 3925200 3962.7235 20456.4474 14461.7516 252.3798 -203587.2844 2669.8363 0.0000 0.0000 52263.0057 -109521.1401 300.3562 -161784.1458 -109160.1840 298.7547 -122.6828 -91.6766 761648.5418 2.2046 2.1489 PRESSURE: 3925400 31.9319 182.31 -137.704 182.311 169.378 84.6945 -137.705 84.6933 147.671 GPRESSURE: 3925400 164.606 125.52 -130.382 95.3236 225.807 35.5969 -94.0573 3.68768 53.7847 PRESSAVG: 3925400 -21.5021 -64.201 -44.8643 -64.201 51.1421 32.9419 -44.8643 32.9419 16.252 GPRESSAVG: 3925400 -19.5608 -64.7164 -44.1651 -65.8724 49.8285 33.0972 -42.3184 31.7419 15.7969 TIMING: 3925400 CPU: 12263, 0.00310318/step Wall: 12263, 0.00310318/step, 0.9263 hours remaining, 236.019531 MB of memory in use. ENERGY: 3925400 3951.7598 20578.8689 14445.0660 246.3986 -203232.7439 2502.3131 0.0000 0.0000 52032.3563 -109475.9812 299.0307 -161508.3375 -109118.4759 299.1231 116.3272 148.0659 759494.7660 15.2973 15.3549 PRESSURE: 3925600 -226.979 -2.13745 62.113 -2.13716 -172.771 -68.5978 62.1144 -68.5987 -39.7608 GPRESSURE: 3925600 -155.812 115.289 89.2341 -95.1719 -170.385 19.5813 -22.4254 -145.46 -5.00092 PRESSAVG: 3925600 29.7859 -36.7913 -38.5855 -36.7913 -63.682 4.4454 -38.5855 4.44535 -3.84796 GPRESSAVG: 3925600 28.9821 -38.6166 -38.3845 -36.5995 -61.8798 3.19341 -40.3571 6.91242 -5.21769 TIMING: 3925600 CPU: 12263.6, 0.00311047/step Wall: 12263.6, 0.00311047/step, 0.928302 hours remaining, 236.019531 MB of memory in use. ENERGY: 3925600 3855.1912 20504.5836 14396.2649 235.0410 -203084.0813 2517.6860 0.0000 0.0000 52147.6210 -109427.6936 299.6931 -161575.3146 -109061.0668 298.9553 -146.5035 -110.3994 762436.9228 -12.5813 -12.7051 PRESSURE: 3925800 -236.626 -28.8627 -43.065 -28.8625 112.318 195.718 -43.0645 195.718 205.048 GPRESSURE: 3925800 -148.777 21.3446 -3.06284 -49.4046 166.935 258.315 -61.9532 117.546 154.706 PRESSAVG: 3925800 -22.5126 -48.3606 -21.2729 -48.3605 -0.558465 -6.28447 -21.2729 -6.28458 -12.5595 GPRESSAVG: 3925800 -22.1156 -45.921 -21.4702 -49.0972 -1.46796 -6.44013 -20.5958 -6.03758 -11.8541 TIMING: 3925800 CPU: 12264.3, 0.00310806/step Wall: 12264.3, 0.00310806/step, 0.92741 hours remaining, 236.019531 MB of memory in use. ENERGY: 3925800 4017.4533 20534.8867 14422.9513 249.9217 -202893.3612 2435.4252 0.0000 0.0000 51944.6735 -109288.0494 298.5268 -161232.7229 -108932.4276 299.3874 26.9135 57.6215 760630.4339 -11.8768 -11.8126 PRESSURE: 3926000 -266.205 -328.066 -40.9963 -328.065 10.1315 18.2791 -40.9962 18.2776 -94.6463 GPRESSURE: 3926000 -237.391 -164.208 -91.9212 -340.004 50.3646 -11.074 -99.8796 98.1089 -57.5654 PRESSAVG: 3926000 33.8216 -77.9237 -78.4382 -77.9238 -15.5321 -57.7462 -78.4382 -57.7462 15.1789 GPRESSAVG: 3926000 33.9598 -79.3427 -78.9602 -76.5248 -15.1281 -58.5101 -80.407 -56.8234 14.9299 TIMING: 3926000 CPU: 12264.9, 0.00310395/step Wall: 12264.9, 0.00310395/step, 0.926012 hours remaining, 236.019531 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: 3926000 4067.5718 20641.3524 14445.0874 224.2105 -203407.2719 2692.6305 0.0000 0.0000 51933.8892 -109402.5300 298.4648 -161336.4193 -109047.7432 299.3383 -116.9066 -81.5304 762150.2193 11.1561 11.2539 PRESSURE: 3926200 180.565 83.1696 -310.979 83.1699 89.702 -42.1523 -310.978 -42.1513 624.226 GPRESSURE: 3926200 257.885 91.8954 -365.818 107.544 153.617 -54.9488 -160.995 -51.5388 566.625 PRESSAVG: 3926200 -11.9276 -11.0926 -52.7872 -11.0926 -7.63899 -29.6886 -52.7873 -29.6886 6.70806 GPRESSAVG: 3926200 -11.2303 -10.8781 -52.9858 -12.1648 -6.86173 -28.9179 -50.4788 -31.2802 5.52995 TIMING: 3926200 CPU: 12265.5, 0.0031005/step Wall: 12265.5, 0.0031005/step, 0.92481 hours remaining, 236.019531 MB of memory in use. ENERGY: 3926200 3938.5125 20428.0187 14518.3683 254.5119 -203589.0097 2908.7931 0.0000 0.0000 52019.1399 -109521.6652 298.9547 -161540.8051 -109170.2353 298.6377 298.1642 326.0423 761014.7681 -4.2862 -4.1874 PRESSURE: 3926400 -365.886 -97.9257 -104.762 -97.9254 -266.83 -156.487 -104.763 -156.489 -42.4799 GPRESSURE: 3926400 -312.05 -25.698 -96.5223 -97.938 -195.214 -167.62 -176.299 -258.727 -77.8254 PRESSAVG: 3926400 3.23551 29.9303 -29.2123 29.9303 -0.889631 7.83397 -29.2123 7.83393 -7.79113 GPRESSAVG: 3926400 3.21802 28.5299 -28.364 32.7317 -1.26904 7.54614 -27.7812 6.90271 -7.61639 TIMING: 3926400 CPU: 12266.1, 0.0031148/step Wall: 12266.1, 0.0031148/step, 0.928903 hours remaining, 236.019531 MB of memory in use. ENERGY: 3926400 4044.0189 20486.5910 14405.4714 279.9349 -202966.3530 2199.8774 0.0000 0.0000 52042.2470 -109508.2124 299.0875 -161550.4594 -109136.0126 298.6737 -225.0655 -195.0301 762185.0398 -1.8151 -1.8891 PRESSURE: 3926600 -128.011 -11.2976 13.3912 -11.2979 85.0922 40.5045 13.3899 40.5049 -384.392 GPRESSURE: 3926600 -59.6751 -106.216 -65.2283 135.988 98.4571 -47.7052 -119.708 90.4924 -372.901 PRESSAVG: 3926600 27.428 -3.7379 -0.156501 -3.73783 -52.7978 -37.9359 -0.156516 -37.9359 -6.96807 GPRESSAVG: 3926600 27.4213 -1.71259 -1.00629 -5.52522 -54.2573 -36.125 -3.5325 -37.9049 -5.79772 TIMING: 3926600 CPU: 12266.7, 0.00312104/step Wall: 12266.7, 0.00312104/step, 0.93059 hours remaining, 236.019531 MB of memory in use. ENERGY: 3926600 3975.8945 20550.5732 14521.0033 263.7543 -203561.0432 2659.4771 0.0000 0.0000 52133.5214 -109456.8194 299.6121 -161590.3408 -109099.1014 299.2517 -142.4369 -111.3731 760266.0362 -10.7793 -10.8779 PRESSURE: 3926800 494.841 12.0699 -84.6826 12.0691 339.554 -58.1721 -84.6829 -58.1723 131.056 GPRESSURE: 3926800 504.657 93.671 -167.759 -60.025 405.151 -76.2288 -57.2252 55.3682 139.092 PRESSAVG: 3926800 -4.59268 26.2953 -2.8382 26.2953 -8.05036 -21.9603 -2.83822 -21.9603 2.1832 GPRESSAVG: 3926800 -5.90401 25.0558 -1.62715 26.232 -6.00051 -22.9545 0.224885 -19.6569 1.45962 TIMING: 3926800 CPU: 12267.4, 0.00312392/step Wall: 12267.4, 0.00312392/step, 0.931275 hours remaining, 236.019531 MB of memory in use. ENERGY: 3926800 3893.0474 20502.2656 14442.1153 255.0401 -203761.4389 2860.1563 0.0000 0.0000 52449.4146 -109359.3997 301.4275 -161808.8143 -108997.2701 299.4544 321.8170 349.6337 759498.1216 -3.4866 -3.4816 PRESSURE: 3927000 -160.758 123.073 151.913 123.073 169.63 18.3621 151.914 18.3635 134.648 GPRESSURE: 3927000 -127.711 97.7962 120.124 172.013 113.796 68.3594 68.3811 -26.937 219.644 PRESSAVG: 3927000 33.1624 38.4232 -33.0339 38.4231 -66.7541 3.30798 -33.0339 3.30797 12.0103 GPRESSAVG: 3927000 34.6629 38.978 -31.9549 39.1828 -67.9065 3.09116 -35.2758 1.93604 11.4762 TIMING: 3927000 CPU: 12268, 0.003121/step Wall: 12268, 0.003121/step, 0.930231 hours remaining, 236.019531 MB of memory in use. ENERGY: 3927000 3925.4837 20521.2737 14511.6836 237.6577 -203288.6261 2629.9395 0.0000 0.0000 51958.4542 -109504.1337 298.6060 -161462.5879 -109135.4656 298.7832 47.8400 68.5761 762627.1828 -7.1938 -7.2558 PRESSURE: 3927200 -118.888 -76.2693 190.451 -76.2691 -21.6454 295.331 190.451 295.331 -46.6981 GPRESSURE: 3927200 -17.487 -6.26837 217.784 -86.339 23.7084 251.681 158.873 319.557 -101.185 PRESSAVG: 3927200 88.6597 -10.3354 26.3441 -10.3354 -48.274 11.9429 26.3441 11.9429 -6.58999 GPRESSAVG: 3927200 90.0055 -8.28151 26.0245 -12.3836 -48.3204 12.2963 26.2503 10.9113 -7.1529 TIMING: 3927200 CPU: 12268.6, 0.00312136/step Wall: 12268.6, 0.00312136/step, 0.930165 hours remaining, 236.019531 MB of memory in use. ENERGY: 3927200 3987.9020 20535.1533 14441.6084 267.9275 -202831.0870 2421.2926 0.0000 0.0000 51678.8151 -109498.3881 296.9989 -161177.2033 -109138.0496 298.7826 -62.4106 -31.6546 762781.2439 11.2653 11.5107 PRESSURE: 3927400 5.85329 -63.2016 -102.799 -63.202 94.4994 207.313 -102.8 207.313 -24.0047 GPRESSURE: 3927400 -48.7266 37.4153 -3.40368 -63.2631 196.427 201.818 -212.464 12.4973 -2.29569 PRESSAVG: 3927400 43.8428 11.1311 -22.4954 11.1311 -39.1395 -13.2424 -22.4954 -13.2424 22.8428 GPRESSAVG: 3927400 43.0277 8.81981 -22.9902 13.9513 -37.6654 -14.1365 -22.8731 -12.6998 22.3964 TIMING: 3927400 CPU: 12269.2, 0.00311351/step Wall: 12269.2, 0.00311351/step, 0.927654 hours remaining, 236.019531 MB of memory in use. ENERGY: 3927400 4006.5773 20386.0079 14502.6899 250.3880 -203464.8958 2808.0415 0.0000 0.0000 51959.5256 -109551.6656 298.6121 -161511.1911 -109180.0093 298.3063 25.4493 48.4682 761963.6983 9.1820 9.2529 PRESSURE: 3927600 231.728 -156.913 98.533 -156.913 10.124 -19.5807 98.5319 -19.5804 -263.156 GPRESSURE: 3927600 299.172 -157.978 109.144 -204.374 -51.4592 5.23004 -52.942 -80.2483 -200.402 PRESSAVG: 3927600 -40.1884 22.9528 3.92301 22.9528 -17.8067 -4.00701 3.92296 -4.00704 -28.4871 GPRESSAVG: 3927600 -41.5876 24.2223 2.08967 22.4586 -18.6767 -3.44076 4.06802 -5.35063 -26.5297 TIMING: 3927600 CPU: 12269.9, 0.00310179/step Wall: 12269.9, 0.00310179/step, 0.923988 hours remaining, 236.019531 MB of memory in use. ENERGY: 3927600 3997.6650 20627.9463 14394.6661 230.2455 -203259.5343 2560.5033 0.0000 0.0000 51941.6354 -109506.8727 298.5093 -161448.5081 -109155.6785 298.5131 -7.1012 15.7703 760424.7800 -28.8274 -28.9313 PRESSURE: 3927800 119.53 -45.8853 -128.154 -45.8851 -104.903 75.152 -128.154 75.1527 209.925 GPRESSURE: 3927800 226.869 -97.1768 -50.8713 55.4096 -58.6069 43.9218 -120.695 146.702 139.286 PRESSAVG: 3927800 46.075 -44.586 -1.62683 -44.5861 -18.8668 43.4227 -1.62682 43.4228 -1.07519 GPRESSAVG: 3927800 47.3919 -45.5404 -1.04787 -46.9051 -18.5359 42.4938 -1.46678 45.9194 -3.27925 TIMING: 3927800 CPU: 12270.5, 0.00309185/step Wall: 12270.5, 0.00309185/step, 0.920857 hours remaining, 236.019531 MB of memory in use. ENERGY: 3927800 3968.7891 20508.7125 14487.4678 245.6278 -203112.7404 2602.3270 0.0000 0.0000 51934.6677 -109365.1486 298.4692 -161299.8163 -109003.8766 298.6066 74.8506 102.5160 760377.2893 8.7110 8.5256 PRESSURE: 3928000 170.231 89.8855 -97.8798 89.8852 -121.05 -108.89 -97.8804 -108.888 -299.23 GPRESSURE: 3928000 282.666 -12.2792 -128.065 48.4826 -158.988 -78.4603 -231.121 -92.0854 -297.837 PRESSAVG: 3928000 32.1343 -4.46252 -21.0875 -4.46247 -8.99318 -22.825 -21.0874 -22.8251 -15.8359 GPRESSAVG: 3928000 32.6959 -2.75433 -19.3449 -3.42467 -10.1603 -21.5852 -22.2155 -25.4673 -14.2145 TIMING: 3928000 CPU: 12271.1, 0.00310985/step Wall: 12271.1, 0.00310985/step, 0.926044 hours remaining, 236.019531 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: 3928000 3991.1168 20410.3292 14466.5392 265.4146 -203401.8330 2571.2301 0.0000 0.0000 52318.0593 -109379.1439 300.6726 -161697.2032 -109017.6161 298.9511 -83.3495 -58.0531 761654.6741 2.4351 2.7737 PRESSURE: 3928200 138.923 -87.1321 50.3792 -87.1327 -7.45873 -86.1179 50.3793 -86.1177 -174.291 GPRESSURE: 3928200 195.347 -59.6089 87.5081 -49.7182 14.124 33.0015 0.686195 6.41352 -170.848 PRESSAVG: 3928200 34.9657 15.7341 -85.2644 15.7341 -22.2205 6.9957 -85.2643 6.99567 -3.80798 GPRESSAVG: 3928200 35.1472 15.0965 -87.855 14.4418 -22.7555 7.71294 -83.9876 10.7474 -3.92796 TIMING: 3928200 CPU: 12271.7, 0.00312504/step Wall: 12271.7, 0.00312504/step, 0.930394 hours remaining, 236.019531 MB of memory in use. ENERGY: 3928200 3928.6643 20723.9671 14514.7625 267.8051 -203520.9432 2579.3996 0.0000 0.0000 52092.5196 -109413.8250 299.3764 -161506.3446 -109063.3309 299.0512 -14.2756 12.8741 760808.3595 2.9791 2.8212 LDB: ============= START OF LOAD BALANCING ============== 12284.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12284.2 LDB: =============== DONE WITH MIGRATION ================ 12284.2 LDB: ============= START OF LOAD BALANCING ============== 12284.5 LDB: Largest compute 7007 load 0.028362 is 14.5% of average load 0.195199 LDB: Average compute 0.004394 is 2.3% of average load 0.195199 LDB: TIME 12284.5 LOAD: AVG 0.195199 MAX 0.215916 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.641 MB LDB: TIME 12284.5 LOAD: AVG 0.195199 MAX 0.215916 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.711 MB LDB: TIME 12284.5 LOAD: AVG 0.195199 MAX 0.215916 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.711 MB LDB: ============== END OF LOAD BALANCING =============== 12284.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12284.5 PRESSURE: 3928400 85.9709 282.219 208.235 282.219 588.777 262.381 208.235 262.381 97.7583 GPRESSURE: 3928400 185.476 222.862 203.111 178.772 545.141 283.415 102.726 280.782 124.278 PRESSAVG: 3928400 0.843878 7.42426 16.6948 7.42425 -21.3175 -3.51486 16.6947 -3.51488 -8.7423 GPRESSAVG: 3928400 0.932586 6.35465 17.0351 9.5762 -20.5444 -4.3468 16.4668 -5.33396 -9.24932 TIMING: 3928400 CPU: 12272.4, 0.00318932/step Wall: 12272.4, 0.00318932/step, 0.949353 hours remaining, 234.828125 MB of memory in use. ENERGY: 3928400 3973.7469 20148.2636 14502.4039 253.7822 -203153.4467 2505.4248 0.0000 0.0000 52014.4135 -109755.4120 298.9275 -161769.8254 -109390.0732 298.8606 257.5022 284.9652 761987.3051 -9.7387 -9.6204 PRESSURE: 3928600 280.639 63.1495 -113.14 63.1497 -143.346 -19.2179 -113.139 -19.2176 -116.161 GPRESSURE: 3928600 213.31 88.7138 -92.7167 -37.674 1.49432 27.0681 -45.0641 -13.5316 -102.4 PRESSAVG: 3928600 18.1623 38.0809 -11.6062 38.0809 4.94084 5.66405 -11.6063 5.66409 -13.0687 GPRESSAVG: 3928600 17.5972 38.4097 -11.4242 38.2135 5.44369 5.11917 -13.198 6.88873 -12.9147 TIMING: 3928600 CPU: 12273, 0.00312099/step Wall: 12273, 0.00312099/step, 0.928842 hours remaining, 235.097656 MB of memory in use. ENERGY: 3928600 3997.7263 20236.1364 14459.8535 251.4058 -203888.1503 2878.6785 0.0000 0.0000 52198.5903 -109865.7595 299.9860 -162064.3497 -109504.3017 298.2273 7.0439 37.4682 760939.6188 3.3448 3.3754 PRESSURE: 3928800 -115.777 -85.4542 177.184 -85.4544 3.43447 67.7262 177.184 67.7268 437.533 GPRESSURE: 3928800 -92.7826 -60.0237 279.858 -7.62124 91.371 -10.8722 59.8158 8.21411 409.556 PRESSAVG: 3928800 8.98476 -2.85698 7.04152 -2.85692 7.08252 -15.632 7.04154 -15.6321 14.7446 GPRESSAVG: 3928800 9.11392 -2.49019 6.56082 -3.87348 7.23599 -14.5015 9.83157 -18.9217 13.8937 TIMING: 3928800 CPU: 12273.6, 0.00312946/step Wall: 12273.6, 0.00312946/step, 0.931187 hours remaining, 235.300781 MB of memory in use. ENERGY: 3928800 3894.6379 20330.9413 14462.5978 262.3595 -203672.9954 2756.5773 0.0000 0.0000 51977.6634 -109988.2181 298.7163 -161965.8816 -109625.1644 297.9501 108.3968 136.0481 760761.4758 10.2706 10.0812 PRESSURE: 3929000 -555.174 56.4308 128.555 56.431 -524.103 10.6592 128.555 10.659 -469.677 GPRESSURE: 3929000 -432.293 -17.9074 97.159 85.6899 -583.013 -42.0869 152.374 81.6222 -464.554 PRESSAVG: 3929000 35.1805 -37.4344 -10.317 -37.4344 1.99894 -21.5492 -10.317 -21.5493 10.3916 GPRESSAVG: 3929000 35.1477 -38.747 -10.1652 -36.5638 2.22032 -22.1646 -7.89844 -20.7223 10.137 TIMING: 3929000 CPU: 12274.2, 0.00312176/step Wall: 12274.2, 0.00312176/step, 0.928724 hours remaining, 235.300781 MB of memory in use. ENERGY: 3929000 4043.9985 20396.4586 14391.7903 252.3496 -203582.1674 2601.9891 0.0000 0.0000 51781.0381 -110114.5432 297.5863 -161895.5812 -109766.3970 297.7674 -516.3183 -493.2866 764182.5457 15.8570 15.8350 PRESSURE: 3929200 -139.116 -136.491 54.1426 -136.491 -3.50302 -73.0128 54.1426 -73.0135 615.2 GPRESSURE: 3929200 -108.898 -89.0613 94.9675 -144.516 83.6157 -31.7591 17.5426 97.0922 579.379 PRESSAVG: 3929200 -11.9402 23.7193 10.4081 23.7193 16.1545 21.1127 10.4081 21.1127 -7.65745 GPRESSAVG: 3929200 -11.6029 25.427 9.5614 23.9563 15.0706 22.5558 9.37155 22.8298 -7.03039 TIMING: 3929200 CPU: 12274.9, 0.00311685/step Wall: 12274.9, 0.00311685/step, 0.927091 hours remaining, 235.300781 MB of memory in use. ENERGY: 3929200 3874.0949 20428.9290 14416.4839 243.0475 -203616.9625 2549.3315 0.0000 0.0000 51969.8613 -110135.2144 298.6715 -162105.0757 -109780.7831 297.3662 157.5268 184.6988 760708.0099 -1.1477 -1.1876 PRESSURE: 3929400 361.686 -160.493 -77.0024 -160.493 273.233 -172.127 -77.0031 -172.128 30.1691 GPRESSURE: 3929400 378.152 -283.502 -61.1254 -223.752 300.258 -216.701 -55.0172 -104.454 73.5234 PRESSAVG: 3929400 66.4236 9.33096 -42.5367 9.33102 -39.6256 -12.662 -42.5367 -12.662 -9.62396 GPRESSAVG: 3929400 66.514 7.08758 -40.9802 10.951 -39.0247 -14.929 -44.4313 -12.804 -10.4175 TIMING: 3929400 CPU: 12275.5, 0.00310605/step Wall: 12275.5, 0.00310605/step, 0.923706 hours remaining, 235.300781 MB of memory in use. ENERGY: 3929400 3867.7212 20479.4605 14390.2436 244.1425 -203391.3619 2531.2869 0.0000 0.0000 51763.0353 -110115.4719 297.4829 -161878.5072 -109754.5121 297.5033 221.6961 250.6444 760781.9577 5.7247 5.6906 PRESSURE: 3929600 -298.216 47.7561 37.7927 47.7565 -332.811 278.33 37.7916 278.33 -43.03 GPRESSURE: 3929600 -104.86 -46.6263 -57.197 140.531 -429.687 284.835 -20.1668 202.807 -29.3313 PRESSAVG: 3929600 89.6547 -43.3737 -34.911 -43.3737 -72.7471 39.1132 -34.911 39.1132 10.2128 GPRESSAVG: 3929600 89.258 -43.2468 -35.6758 -45.3733 -71.8758 40.3728 -34.5286 38.8849 10.3648 TIMING: 3929600 CPU: 12276.1, 0.00312908/step Wall: 12276.1, 0.00312908/step, 0.930381 hours remaining, 235.300781 MB of memory in use. ENERGY: 3929600 4028.0849 20556.2325 14410.9780 240.8740 -203142.1068 2409.8755 0.0000 0.0000 51484.4300 -110011.6319 295.8817 -161496.0619 -109665.4408 297.5053 -224.6859 -187.9594 760770.8601 9.0401 9.2490 PRESSURE: 3929800 248.875 16.5769 145.783 16.5766 -318.802 127.115 145.782 127.117 -143.074 GPRESSURE: 3929800 161.05 -97.9287 139.214 151.253 -137.069 49.2021 181.558 76.6233 -159.993 PRESSAVG: 3929800 19.5427 -19.3517 -58.968 -19.3517 -28.2329 1.35724 -58.9681 1.35729 -3.46545 GPRESSAVG: 3929800 18.7804 -18.6497 -60.1829 -18.0278 -28.9181 1.49684 -60.1633 2.07534 -2.27426 TIMING: 3929800 CPU: 12276.7, 0.0031134/step Wall: 12276.7, 0.0031134/step, 0.925545 hours remaining, 235.300781 MB of memory in use. ENERGY: 3929800 3926.1336 20545.8385 14462.9746 238.3859 -203553.2557 2783.9391 0.0000 0.0000 51688.3136 -109907.6705 297.0534 -161595.9840 -109557.8662 298.2262 -71.0004 -45.3372 760005.5938 -4.0519 -4.1373 PRESSURE: 3930000 -81.0374 75.9159 -21.4977 75.9159 -111.413 -100.056 -21.4976 -100.057 515.71 GPRESSURE: 3930000 -35.1951 -25.2288 -89.3523 157.252 -131.879 -119.358 33.7836 -41.3782 581.771 PRESSAVG: 3930000 77.1551 -54.8973 -5.70546 -54.8973 -81.1929 58.3827 -5.70544 58.3827 14.8781 GPRESSAVG: 3930000 77.1598 -55.5231 -5.23802 -57.5335 -81.0301 57.6521 -3.67146 58.1735 14.4416 TIMING: 3930000 CPU: 12277.4, 0.0031182/step Wall: 12277.4, 0.00311821/step, 0.9268 hours remaining, 235.300781 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: 3930000 3924.8793 20347.4349 14412.8280 252.0427 -203615.9184 2776.4928 0.0000 0.0000 52146.9729 -109755.2678 299.6894 -161902.2407 -109390.3602 298.7136 107.7531 138.2320 760314.6605 3.6135 3.5237 PRESSURE: 3930200 -182.656 -151.299 99.7018 -151.3 -130.185 -63.9843 99.7017 -63.9839 -181.057 GPRESSURE: 3930200 -173.23 -104.655 63.0613 -171.479 -45.6157 48.1547 68.683 -18.0878 -164.445 PRESSAVG: 3930200 73.9219 -32.8037 -26.7563 -32.8037 -101.29 27.8437 -26.7564 27.8438 9.16974 GPRESSAVG: 3930200 73.4323 -31.1692 -26.677 -31.8628 -100.991 28.5224 -27.9437 28.9128 9.47558 TIMING: 3930200 CPU: 12278, 0.0031194/step Wall: 12278, 0.0031194/step, 0.926981 hours remaining, 235.289062 MB of memory in use. ENERGY: 3930200 3985.6494 20348.1037 14303.1075 234.8206 -203209.2112 2494.1624 0.0000 0.0000 51906.4042 -109936.9632 298.3068 -161843.3675 -109573.4480 298.6819 -164.6331 -127.7637 761661.8152 -6.0660 -6.0276 PRESSURE: 3930400 186.547 -86.8826 -133.752 -86.8829 -108.343 177.878 -133.751 177.878 8.11431 GPRESSURE: 3930400 169.042 -129.075 -177.337 -158.382 26.5341 102.167 -89.4957 102.937 -29.7358 PRESSAVG: 3930400 84.0142 -38.0083 7.63735 -38.0082 -91.2905 -2.07283 7.63734 -2.07277 7.77584 GPRESSAVG: 3930400 84.6816 -40.4939 8.00528 -38.4187 -90.0179 -0.850189 8.85893 -5.1169 6.37444 TIMING: 3930400 CPU: 12278.6, 0.00310329/step Wall: 12278.6, 0.00310329/step, 0.922022 hours remaining, 235.300781 MB of memory in use. ENERGY: 3930400 3950.2402 20509.6599 14403.7681 248.2177 -203707.4127 2842.1583 0.0000 0.0000 51889.1183 -109864.2503 298.2075 -161753.3685 -109513.5082 298.3179 28.7726 55.2803 759518.7779 0.1665 0.3460 PRESSURE: 3930600 -376.479 18.2545 -99.2488 18.2542 -326.649 191.679 -99.2486 191.68 135.231 GPRESSURE: 3930600 -285.711 117.046 -54.6484 -64.7441 -288.536 212.195 -7.76699 117.625 68.3345 PRESSAVG: 3930600 58.6946 -4.48269 -17.0862 -4.48279 -22.7996 33.6209 -17.0863 33.6209 -24.2825 GPRESSAVG: 3930600 60.6491 -1.24036 -17.5 -5.44291 -24.2491 30.9377 -16.7023 35.0311 -24.6277 TIMING: 3930600 CPU: 12279.2, 0.00311444/step Wall: 12279.2, 0.00311444/step, 0.925163 hours remaining, 235.289062 MB of memory in use. ENERGY: 3930600 3935.3305 20492.1844 14471.3384 254.2383 -203675.4610 2659.9342 0.0000 0.0000 52230.9413 -109631.4940 300.1719 -161862.4353 -109263.4319 298.8700 -189.2988 -168.6375 760643.2274 3.8709 3.9241 PRESSURE: 3930800 166.269 60.1579 156.391 60.1586 -11.1058 -240.843 156.392 -240.841 -88.3219 GPRESSURE: 3930800 163.34 -60.2366 90.7372 54.8737 34.6824 -173.108 76.4072 -176.568 -84.2332 PRESSAVG: 3930800 72.7134 20.5622 16.8632 20.5622 -81.4652 19.9313 16.8633 19.9312 3.41509 GPRESSAVG: 3930800 72.2491 20.7678 16.825 20.5086 -83.0495 20.6735 17.3944 20.664 5.67803 TIMING: 3930800 CPU: 12279.8, 0.00309212/step Wall: 12279.8, 0.00309212/step, 0.918361 hours remaining, 235.300781 MB of memory in use. ENERGY: 3930800 4037.3780 20576.5343 14443.0126 244.9750 -203426.1935 2546.7731 0.0000 0.0000 51892.5391 -109684.9815 298.2271 -161577.5206 -109323.0517 299.2216 22.2803 37.9299 760072.0040 -1.7789 -1.7074 PRESSURE: 3931000 -94.2019 -105.286 -34.6432 -105.285 31.9474 -101.507 -34.6431 -101.507 55.9545 GPRESSURE: 3931000 22.3217 15.706 -41.8271 43.5462 -11.3376 -66.8728 14.9525 -111.652 75.362 PRESSAVG: 3931000 34.6924 -26.4185 24.4343 -26.4185 -39.373 -41.2922 24.4343 -41.2922 -12.7776 GPRESSAVG: 3931000 33.9366 -27.9605 25.5594 -25.8741 -37.4015 -42.5395 22.0106 -37.9331 -13.3484 TIMING: 3931000 CPU: 12280.5, 0.00310589/step Wall: 12280.5, 0.00310589/step, 0.922278 hours remaining, 235.300781 MB of memory in use. ENERGY: 3931000 4014.5335 20371.3779 14415.2508 263.8017 -203400.9674 2727.5344 0.0000 0.0000 51931.4920 -109676.9771 298.4510 -161608.4691 -109322.5473 299.1850 -2.1000 28.7820 762174.1657 -5.8194 -5.6044 PRESSURE: 3931200 298.278 -134.327 74.8949 -134.327 -379.346 265.773 74.8957 265.772 -315.501 GPRESSURE: 3931200 282.56 -261.775 130.603 -169.966 -336.317 195.035 12.4692 287.242 -242.529 PRESSAVG: 3931200 51.4142 20.9126 -0.332343 20.9127 -7.23292 -1.89296 -0.33238 -1.89297 10.5204 GPRESSAVG: 3931200 51.6156 20.3949 -2.29473 22.1596 -7.93448 -1.15041 0.624104 -4.56367 10.5755 TIMING: 3931200 CPU: 12281.1, 0.00311202/step Wall: 12281.1, 0.00311202/step, 0.923924 hours remaining, 235.300781 MB of memory in use. ENERGY: 3931200 4019.2810 20560.4833 14394.3870 243.4587 -203693.6221 3024.5403 0.0000 0.0000 51781.9636 -109669.5082 297.5917 -161451.4718 -109308.1895 298.9119 -132.1899 -98.7623 762232.1098 18.2339 18.0855 PRESSURE: 3931400 60.233 -135.669 -17.8756 -135.669 -27.1002 -164.971 -17.8759 -164.97 -219.395 GPRESSURE: 3931400 116.271 -74.0082 -85.5137 -49.1762 -78.0932 -199.003 -5.09571 -62.3571 -151.083 PRESSAVG: 3931400 41.7095 11.8844 -51.7868 11.8844 -77.8638 42.6372 -51.7868 42.6372 -9.80373 GPRESSAVG: 3931400 41.1003 11.0364 -51.218 11.3864 -77.2665 42.9948 -52.7318 43.6551 -10.2234 TIMING: 3931400 CPU: 12281.7, 0.00310114/step Wall: 12281.7, 0.00310114/step, 0.920523 hours remaining, 235.300781 MB of memory in use. ENERGY: 3931400 3977.5701 20528.6789 14495.5403 271.2169 -203747.9258 2795.1386 0.0000 0.0000 52029.5047 -109650.2763 299.0143 -161679.7810 -109292.9725 298.7968 -62.0875 -37.6349 761923.8442 -15.3193 -15.4632 PRESSURE: 3931600 166.708 -18.0691 -70.8937 -18.0686 -45.7181 16.8483 -70.8938 16.8504 61.7369 GPRESSURE: 3931600 229.963 -126.13 -97.9093 81.5459 10.2965 64.2385 -31.5937 -98.3418 18.2535 PRESSAVG: 3931600 -2.47337 66.4555 -61.0175 66.4554 -46.549 -0.806146 -61.0175 -0.806118 -10.6569 GPRESSAVG: 3931600 -1.60226 67.3916 -58.8997 67.5451 -47.5972 0.522801 -60.0125 -1.76414 -10.4529 TIMING: 3931600 CPU: 12282.3, 0.00309935/step Wall: 12282.3, 0.00309935/step, 0.919817 hours remaining, 235.300781 MB of memory in use. ENERGY: 3931600 3926.9796 20505.8488 14467.5056 261.9369 -203730.1942 2981.1270 0.0000 0.0000 52006.2280 -109580.5683 298.8805 -161586.7963 -109215.8343 298.7079 60.9088 86.1710 761843.6050 -19.8931 -19.8841 PRESSURE: 3931800 -81.0509 -0.111789 31.6415 -0.11123 72.1097 -36.1524 31.6417 -36.1518 -82.7395 GPRESSURE: 3931800 -108.709 -21.1322 143.726 -109.43 168.69 -25.1911 -88.0324 28.2557 -52.8193 PRESSAVG: 3931800 13.6108 -23.3556 -27.6178 -23.3556 14.1297 -4.76037 -27.6179 -4.76044 6.21944 GPRESSAVG: 3931800 12.3079 -23.609 -27.7079 -25.1025 16.3343 -6.20818 -28.0846 -3.83329 5.68184 TIMING: 3931800 CPU: 12282.9, 0.00310397/step Wall: 12282.9, 0.00310397/step, 0.921016 hours remaining, 235.300781 MB of memory in use. ENERGY: 3931800 3922.4985 20429.3032 14442.9859 267.0452 -203460.3422 2799.0933 0.0000 0.0000 52005.6525 -109593.7637 298.8772 -161599.4162 -109234.8971 298.5649 -30.5602 2.3874 761537.7090 11.3200 11.4414 PRESSURE: 3932000 -278.12 56.7407 -151.01 56.7416 -36.0768 18.4755 -151.01 18.4743 99.5812 GPRESSURE: 3932000 -210.266 -22.3321 -196.51 132.857 -65.0997 58.713 -154.034 -48.7849 130.818 PRESSAVG: 3932000 17.3101 -13.6836 -8.42795 -13.6835 -38.3383 -10.8808 -8.42794 -10.8808 -4.54783 GPRESSAVG: 3932000 16.9888 -14.3192 -9.69346 -13.0523 -40.3612 -10.1968 -7.89136 -11.6375 -2.00446 TIMING: 3932000 CPU: 12283.6, 0.00309604/step Wall: 12283.6, 0.00309604/step, 0.918491 hours remaining, 235.300781 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: 3932000 3921.2192 20358.7268 14501.6508 228.6959 -203345.1862 2830.7523 0.0000 0.0000 52022.2721 -109481.8690 298.9727 -161504.1411 -109114.1213 298.7822 -71.5385 -48.1827 764215.1808 -8.5253 -8.4589 PRESSURE: 3932200 105.629 -45.2191 -115.361 -45.219 -178.779 214.045 -115.361 214.045 104.017 GPRESSURE: 3932200 111.783 -107.546 -13.1105 -36.6405 -156.923 252.901 -72.8531 231.285 138.419 PRESSAVG: 3932200 26.3007 30.0848 28.4273 30.0848 -47.6962 53.0215 28.4272 53.0215 -6.471 GPRESSAVG: 3932200 25.8903 31.1958 29.8828 32.014 -47.2854 52.5523 28.5219 51.4197 -6.76979 TIMING: 3932200 CPU: 12284.2, 0.00311511/step Wall: 12284.2, 0.0031151/step, 0.923975 hours remaining, 235.300781 MB of memory in use. ENERGY: 3932200 4013.5529 20348.2894 14482.9654 260.3225 -203246.0323 2674.7518 0.0000 0.0000 51799.8922 -109666.2579 297.6947 -161466.1502 -109310.2400 298.3619 10.2889 31.0930 764107.3653 -9.2888 -9.3883 LDB: ============= START OF LOAD BALANCING ============== 12296.7 LDB: ============== END OF LOAD BALANCING =============== 12296.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12296.7 LDB: ============= START OF LOAD BALANCING ============== 12297 LDB: Largest compute 7007 load 0.028899 is 14.8% of average load 0.195227 LDB: Average compute 0.004394 is 2.3% of average load 0.195227 LDB: TIME 12297 LOAD: AVG 0.195227 MAX 0.217434 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.676 MB LDB: TIME 12297 LOAD: AVG 0.195227 MAX 0.217434 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.695 MB LDB: TIME 12297 LOAD: AVG 0.195227 MAX 0.217434 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.695 MB LDB: ============== END OF LOAD BALANCING =============== 12297 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12297 PRESSURE: 3932400 -415.927 119.011 180.649 119.01 -235.334 45.3462 180.649 45.3468 -414.603 GPRESSURE: 3932400 -299.386 -20.9611 131.665 30.1273 -211.991 86.8023 130.975 48.4483 -476.331 PRESSAVG: 3932400 -2.00471 0.300436 -76.5251 0.300425 -6.64536 50.8274 -76.5251 50.8274 15.3341 GPRESSAVG: 3932400 -1.51025 -0.328406 -77.7634 -1.94866 -6.82334 51.9085 -76.4909 50.9228 14.5608 TIMING: 3932400 CPU: 12284.8, 0.00316348/step Wall: 12284.8, 0.00316348/step, 0.938148 hours remaining, 235.800781 MB of memory in use. ENERGY: 3932400 3938.8519 20500.4057 14460.1658 253.3448 -203496.1379 2812.0712 0.0000 0.0000 51900.5884 -109630.7103 298.2734 -161531.2986 -109268.1528 298.4484 -355.2878 -329.2358 764913.0277 2.2280 2.0757 PRESSURE: 3932600 -193.25 -21.8768 -146.747 -21.8779 54.1906 365.368 -146.747 365.367 -86.7516 GPRESSURE: 3932600 -91.9488 27.6147 -97.2726 -99.8155 28.8687 319.303 -157.649 216.374 -80.7814 PRESSAVG: 3932600 41.8071 10.8208 -31.727 10.8208 -26.6359 5.54561 -31.7271 5.54557 -29.988 GPRESSAVG: 3932600 40.8703 10.8639 -32.7739 10.9635 -25.603 4.12275 -32.016 6.62806 -30.2069 TIMING: 3932600 CPU: 12285.4, 0.00312007/step Wall: 12285.4, 0.00312007/step, 0.9251 hours remaining, 236.058594 MB of memory in use. ENERGY: 3932600 3976.6079 20407.4875 14422.4478 238.6188 -203527.6832 2734.7958 0.0000 0.0000 52153.9468 -109593.7786 299.7294 -161747.7255 -109223.2820 298.5829 -75.2705 -47.9538 763232.5082 -4.9389 -4.9799 PRESSURE: 3932800 74.6963 -126.486 -103.607 -126.485 -258.534 84.1287 -103.606 84.129 -87.1202 GPRESSURE: 3932800 38.2 -162.861 -188.014 -134.007 -177.083 61.408 9.06807 197.792 -60.3567 PRESSAVG: 3932800 8.14694 -58.0086 -91.3118 -58.0086 -8.58337 20.6898 -91.3117 20.6897 -7.05911 GPRESSAVG: 3932800 7.62857 -57.8271 -89.653 -58.5998 -8.63081 19.4755 -90.7323 21.2686 -6.67645 TIMING: 3932800 CPU: 12286.1, 0.00311766/step Wall: 12286.1, 0.00311766/step, 0.924213 hours remaining, 236.074219 MB of memory in use. ENERGY: 3932800 4007.5635 20460.0766 14438.7638 251.5616 -203530.6280 2629.6954 0.0000 0.0000 52112.3204 -109630.6468 299.4902 -161742.9672 -109270.7270 299.2966 -90.3193 -66.4131 761999.0902 -2.4985 -2.5596 PRESSURE: 3933000 4.53243 24.1131 -60.3684 24.1139 -117.715 -37.7689 -60.3691 -37.7685 147.688 GPRESSURE: 3933000 -89.8129 109.111 -64.2324 45.7426 39.1392 -10.6775 -100.716 -1.21211 181.812 PRESSAVG: 3933000 31.775 -14.7052 -11.1238 -14.7051 -38.9413 12.0822 -11.1239 12.0822 -13.9064 GPRESSAVG: 3933000 32.1341 -14.7783 -12.084 -14.7726 -37.8388 12.8542 -12.6035 13.1082 -14.9101 TIMING: 3933000 CPU: 12286.7, 0.00310598/step Wall: 12286.7, 0.00310598/step, 0.920578 hours remaining, 236.074219 MB of memory in use. ENERGY: 3933000 4019.8078 20663.8570 14444.4474 243.0808 -203606.0496 2706.2828 0.0000 0.0000 52079.5633 -109449.0105 299.3020 -161528.5738 -109089.7757 298.7272 11.5020 43.7128 761365.5831 -7.0243 -6.8716 PRESSURE: 3933200 -41.6296 69.6955 37.9736 69.6947 4.51838 21.7774 37.9727 21.7776 -51.3725 GPRESSURE: 3933200 32.825 45.4155 8.13595 136.192 -32.822 60.9472 -21.2825 -43.9363 -7.92583 PRESSAVG: 3933200 35.6518 9.76142 -32.9298 9.76149 -12.9076 8.23267 -32.9298 8.23261 -12.7966 GPRESSAVG: 3933200 37.0644 8.78651 -32.6499 10.8211 -14.9255 8.80976 -33.5223 6.82963 -12.2428 TIMING: 3933200 CPU: 12287.3, 0.00312762/step Wall: 12287.3, 0.00312762/step, 0.926817 hours remaining, 236.277344 MB of memory in use. ENERGY: 3933200 4072.8512 20687.2255 14463.7682 263.4794 -203233.4381 2482.3008 0.0000 0.0000 52022.1712 -109241.6418 298.9721 -161263.8131 -108886.2641 299.6203 -29.4946 -2.6409 761950.8493 3.3159 3.2987 PRESSURE: 3933400 -229.647 72.7243 -34.0047 72.7246 71.6699 -80.0512 -34.0049 -80.0499 13.7684 GPRESSURE: 3933400 -193.501 228.462 69.5046 -1.35829 74.8631 -105.027 2.3872 82.4019 63.9652 PRESSAVG: 3933400 56.3329 12.3273 -10.0094 12.3274 11.9081 20.0199 -10.0094 20.0199 13.5516 GPRESSAVG: 3933400 56.8692 15.8063 -10.6224 10.4017 12.3833 20.0387 -8.11845 19.8596 13.2429 TIMING: 3933400 CPU: 12287.9, 0.00310675/step Wall: 12287.9, 0.00310675/step, 0.920462 hours remaining, 236.277344 MB of memory in use. ENERGY: 3933400 3936.1652 20612.6098 14441.1065 254.0529 -203691.4494 2749.9182 0.0000 0.0000 52055.0347 -109642.5619 299.1610 -161697.5966 -109276.0226 299.2455 -48.0694 -18.2242 762831.0781 27.2642 27.4985 PRESSURE: 3933600 44.9392 -89.38 -104.321 -89.3791 105.94 -108.163 -104.321 -108.163 -299.572 GPRESSURE: 3933600 26.2733 -80.0353 -133.498 -154.759 132.605 -183.614 15.5175 -79.2013 -227.475 PRESSAVG: 3933600 -2.89634 43.0602 12.01 43.0602 38.0686 40.5264 12.01 40.5265 -32.4669 GPRESSAVG: 3933600 -3.43265 41.4003 12.239 41.6158 37.7381 38.5123 11.8417 41.1009 -31.7815 TIMING: 3933600 CPU: 12288.6, 0.00310191/step Wall: 12288.6, 0.00310191/step, 0.918855 hours remaining, 236.277344 MB of memory in use. ENERGY: 3933600 3927.1014 20524.3480 14446.2600 233.0510 -202957.8364 2464.5172 0.0000 0.0000 51719.6553 -109642.9035 297.2336 -161362.5588 -109281.7603 298.7252 -49.5645 -22.8655 761941.9499 0.9018 0.8413 PRESSURE: 3933800 251.87 57.2527 5.57342 57.2521 38.0114 -8.33593 5.57413 -8.33648 -268.133 GPRESSURE: 3933800 227.906 66.9279 83.9479 71.934 -4.89614 65.5535 -34.5068 122.595 -140.728 PRESSAVG: 3933800 -3.78576 -21.6396 -8.19472 -21.6396 18.3072 -8.77077 -8.19473 -8.7708 -3.52379 GPRESSAVG: 3933800 -4.29929 -23.4532 -8.3723 -18.9802 18.2297 -6.86903 -7.60189 -9.39408 -3.72375 TIMING: 3933800 CPU: 12289.2, 0.00311492/step Wall: 12289.2, 0.00311492/step, 0.922536 hours remaining, 236.277344 MB of memory in use. ENERGY: 3933800 4050.9281 20499.9105 14374.8384 242.2492 -203538.2156 2655.1213 0.0000 0.0000 52291.7706 -109423.3975 300.5215 -161715.1681 -109069.3360 298.8791 7.2492 27.4275 763075.1120 3.6659 3.4022 PRESSURE: 3934000 -154.586 -106.229 139.57 -106.229 -240.231 -112.204 139.571 -112.203 -208.645 GPRESSURE: 3934000 -168.279 -147.094 190.11 -225.537 -168.271 -30.1998 183.201 3.09568 -180.955 PRESSAVG: 3934000 -61.9193 -28.4031 -33.1704 -28.4031 65.2296 17.2895 -33.1704 17.2896 -6.24385 GPRESSAVG: 3934000 -61.2684 -27.3463 -33.0734 -29.1823 65.7071 16.532 -35.4894 18.4842 -6.9923 TIMING: 3934000 CPU: 12289.8, 0.00308757/step Wall: 12289.8, 0.00308757/step, 0.914263 hours remaining, 236.277344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3934000 3957.4619 20465.6052 14434.3205 259.7656 -203424.0906 2788.5696 0.0000 0.0000 52153.1152 -109365.2526 299.7247 -161518.3678 -109008.1202 298.9528 -201.1540 -172.5015 761873.9119 -0.9778 -0.8512 PRESSURE: 3934200 -117.907 20.2927 4.6723 20.2924 369.478 -196.447 4.67269 -196.447 119.414 GPRESSURE: 3934200 -37.7204 15.107 55.1117 -73.9522 370.859 -226.023 58.4813 -239.256 97.8401 PRESSAVG: 3934200 -10.2761 -71.093 12.3052 -71.093 17.7729 -27.9575 12.3052 -27.9574 -9.94135 GPRESSAVG: 3934200 -10.5698 -69.837 10.5179 -74.3551 17.344 -26.6393 14.25 -28.6456 -9.89621 TIMING: 3934200 CPU: 12290.4, 0.0031038/step Wall: 12290.4, 0.0031038/step, 0.918897 hours remaining, 236.277344 MB of memory in use. ENERGY: 3934200 4072.4021 20524.2982 14461.4837 244.1892 -203698.4955 3037.3230 0.0000 0.0000 52048.5284 -109310.2709 299.1236 -161358.7994 -108950.0703 299.3120 123.6620 143.6596 761546.5754 -0.8149 -1.0407 PRESSURE: 3934400 -40.6626 150.982 -191.89 150.981 169.651 79.5632 -191.891 79.5632 87.6156 GPRESSURE: 3934400 -53.3381 171.137 -147.612 146.589 190.731 43.385 -145.89 21.9853 153.512 PRESSAVG: 3934400 2.10695 1.93762 -37.0797 1.9376 26.7872 23.5138 -37.0797 23.5138 18.1583 GPRESSAVG: 3934400 1.83402 2.1346 -36.1391 3.4707 27.1603 21.6366 -38.0249 22.4905 18.0875 TIMING: 3934400 CPU: 12291, 0.00310152/step Wall: 12291, 0.00310152/step, 0.918051 hours remaining, 236.277344 MB of memory in use. ENERGY: 3934400 3978.2303 20564.7638 14478.2789 228.3330 -203092.6778 2634.8973 0.0000 0.0000 51840.8000 -109367.3745 297.9298 -161208.1745 -109009.6534 299.4727 72.2013 96.9681 761400.9077 15.6841 15.6939 PRESSURE: 3934600 194.229 22.2326 57.147 22.2321 51.7939 34.3761 57.1464 34.3764 164.962 GPRESSURE: 3934600 225.266 -58.5476 42.0628 -19.2975 108.281 -5.58791 -47.6665 138.127 148.879 PRESSAVG: 3934600 -9.20578 12.1732 -27.0714 12.1733 -0.0479431 -8.44758 -27.0714 -8.44764 -1.85019 GPRESSAVG: 3934600 -8.68963 10.8168 -27.0293 14.0479 -0.854189 -7.38286 -27.3801 -8.61731 -2.18359 TIMING: 3934600 CPU: 12291.7, 0.00309455/step Wall: 12291.7, 0.00309455/step, 0.915816 hours remaining, 236.277344 MB of memory in use. ENERGY: 3934600 3983.2968 20365.0804 14484.8773 264.6435 -203627.2368 3061.1113 0.0000 0.0000 52317.3362 -109150.8914 300.6685 -161468.2276 -108793.1583 299.8099 136.9952 160.8085 763526.7934 -3.7013 -3.9091 PRESSURE: 3934800 -402.061 -89.2019 13.4492 -89.2018 -230.259 218.94 13.4499 218.94 -181.043 GPRESSURE: 3934800 -383.632 -10.2082 63.2186 -36.3925 -185.936 199.763 20.2671 269.101 -143.116 PRESSAVG: 3934800 -24.0536 -6.49477 -34.1072 -6.49475 63.4689 76.2569 -34.1072 76.2569 -6.22404 GPRESSAVG: 3934800 -23.9996 -6.1006 -32.9808 -8.00043 63.0253 74.2906 -34.7188 79.3722 -5.33402 TIMING: 3934800 CPU: 12292.3, 0.00309673/step Wall: 12292.3, 0.00309673/step, 0.916287 hours remaining, 236.277344 MB of memory in use. ENERGY: 3934800 4035.2216 20397.4820 14480.0688 251.2218 -202888.1237 2433.7249 0.0000 0.0000 52000.3655 -109290.0392 298.8468 -161290.4046 -108926.7845 299.7772 -271.1210 -237.5614 760874.2224 11.0638 11.2306 PRESSURE: 3935000 2.83911 183.147 -163.544 183.148 -255.823 -195.301 -163.544 -195.301 -10.3307 GPRESSURE: 3935000 38.8343 158.9 -129.066 205.262 -155.904 -222.583 -176.435 -330.966 -66.3829 PRESSAVG: 3935000 -16.0176 -51.6759 -4.0497 -51.676 17.2897 50.8241 -4.04964 50.8239 11.1597 GPRESSAVG: 3935000 -17.6108 -52.0052 -3.89442 -49.9516 18.9661 52.3627 -3.77034 48.7048 11.3468 TIMING: 3935000 CPU: 12292.9, 0.00310422/step Wall: 12292.9, 0.00310422/step, 0.918331 hours remaining, 236.277344 MB of memory in use. ENERGY: 3935000 3944.9175 20701.6917 14542.3641 227.2754 -203357.8601 2724.8533 0.0000 0.0000 52218.6960 -108998.0622 300.1016 -161216.7581 -108638.7425 300.1742 -87.7714 -61.1508 762681.0162 4.1439 4.2340 PRESSURE: 3935200 -71.0004 -56.9459 323.975 -56.9464 271.272 -77.6049 323.975 -77.6063 34.3091 GPRESSURE: 3935200 -52.508 90.4161 417.189 -58.7548 321.212 -59.4045 311.961 -67.0083 55.5347 PRESSAVG: 3935200 -40.226 -49.2148 -0.398915 -49.2148 12.1064 -5.09935 -0.39894 -5.09944 5.76833 GPRESSAVG: 3935200 -38.8173 -50.6253 -0.580335 -48.0213 11.2906 -4.70711 -0.408745 -5.07143 5.31957 TIMING: 3935200 CPU: 12293.5, 0.00310572/step Wall: 12293.5, 0.00310572/step, 0.918602 hours remaining, 236.277344 MB of memory in use. ENERGY: 3935200 4062.2870 20632.9835 14536.4480 222.3322 -203460.4418 2841.6230 0.0000 0.0000 52110.2288 -109054.5393 299.4782 -161164.7681 -108694.8245 299.9176 78.1934 108.0796 762819.0143 -7.4504 -7.4024 PRESSURE: 3935400 -30.1346 31.2108 71.6998 31.2105 -284.071 76.3037 71.6991 76.3039 254.461 GPRESSURE: 3935400 18.916 -38.2429 -44.4889 36.8592 -273.58 47.2313 103.614 103.917 277.952 PRESSAVG: 3935400 -7.42093 13.693 12.8234 13.6929 20.2474 2.64465 12.8234 2.64464 -12.4042 GPRESSAVG: 3935400 -7.09878 15.1777 12.7596 11.2736 19.9334 2.67217 12.0003 2.83252 -12.4066 TIMING: 3935400 CPU: 12294.1, 0.00310834/step Wall: 12294.1, 0.00310834/step, 0.919205 hours remaining, 236.277344 MB of memory in use. ENERGY: 3935400 3976.7492 20567.1321 14501.5157 254.6861 -203279.2260 2650.9071 0.0000 0.0000 52324.5298 -109003.7060 300.7098 -161328.2357 -108639.2719 299.7300 -19.9148 7.7628 762693.4592 0.1407 0.1427 PRESSURE: 3935600 -32.8503 -103.085 -28.1284 -103.085 -91.7933 -107.365 -28.1294 -107.366 76.9243 GPRESSURE: 3935600 41.4918 -196.616 -23.1084 -29.2067 -66.1079 -13.3084 51.0316 -33.5935 46.0541 PRESSAVG: 3935600 61.1908 18.6476 -12.0546 18.6476 -56.767 -7.7826 -12.0545 -7.78265 4.77672 GPRESSAVG: 3935600 60.2439 17.9926 -14.9497 22.0153 -55.176 -7.18001 -10.9014 -8.85009 4.21192 TIMING: 3935600 CPU: 12294.8, 0.00310462/step Wall: 12294.8, 0.00310462/step, 0.917932 hours remaining, 236.277344 MB of memory in use. ENERGY: 3935600 4007.7860 20556.6603 14616.2829 233.5843 -203217.1654 2838.6408 0.0000 0.0000 52220.7358 -108743.4753 300.1133 -160964.2111 -108379.7752 299.9781 -15.9064 7.1460 762754.2284 3.0668 3.0933 PRESSURE: 3935800 -211.197 96.9714 36.5464 96.9706 -320.914 75.7518 36.5474 75.752 210.998 GPRESSURE: 3935800 -213.715 -4.8731 64.9664 128.884 -252.129 89.9793 20.7971 20.7888 208.073 PRESSAVG: 3935800 15.084 -50.7737 -10.3606 -50.7737 -39.1171 -39.878 -10.3606 -39.878 21.8093 GPRESSAVG: 3935800 15.544 -50.481 -9.7162 -52.9352 -40.4593 -40.4468 -9.21706 -38.9288 22.8466 TIMING: 3935800 CPU: 12295.4, 0.00309228/step Wall: 12295.4, 0.00309228/step, 0.914112 hours remaining, 236.277344 MB of memory in use. ENERGY: 3935800 3978.3299 20599.7627 14510.7655 243.9060 -203319.7325 2663.0264 0.0000 0.0000 52318.6683 -109005.2738 300.6761 -161323.9421 -108640.2882 299.9471 -107.0378 -85.9238 762898.5382 -0.7413 -0.6896 PRESSURE: 3936000 205.235 62.7443 -29.0147 62.7434 -189.004 -297.943 -29.0139 -297.943 4.57865 GPRESSURE: 3936000 199.653 -16.6159 56.7757 49.5852 -158.068 -272.429 4.7272 -125.902 57.2135 PRESSAVG: 3936000 37.2742 42.5025 43.1674 42.5024 -23.3364 -6.54065 43.1674 -6.54068 -6.6381 GPRESSAVG: 3936000 36.602 40.7953 44.1055 42.839 -23.1943 -5.89393 43.3366 -6.61602 -5.99071 TIMING: 3936000 CPU: 12296, 0.00310091/step Wall: 12296, 0.00310091/step, 0.916491 hours remaining, 236.277344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3936000 3956.7262 20599.3047 14535.1101 234.6468 -203530.3385 2812.0887 0.0000 0.0000 52237.3278 -109155.1341 300.2086 -161392.4619 -108771.7554 299.9331 6.9366 32.9331 761821.1485 2.4332 2.4723 PRESSURE: 3936200 117.993 -6.25553 -130.501 -6.25537 30.894 -19.0051 -130.501 -19.0051 -28.6804 GPRESSURE: 3936200 189.853 57.8365 -125.051 -5.46696 126.837 -52.2506 -152.364 -29.925 -121.663 PRESSAVG: 3936200 -14.1131 10.0878 -8.03096 10.0878 -6.90126 -7.08115 -8.03098 -7.08114 -7.1662 GPRESSAVG: 3936200 -13.354 11.9492 -7.58478 8.91223 -7.14883 -7.74512 -7.48745 -7.37769 -8.04452 TIMING: 3936200 CPU: 12296.6, 0.00311902/step Wall: 12296.6, 0.00311902/step, 0.921669 hours remaining, 236.277344 MB of memory in use. ENERGY: 3936200 4051.8055 20719.5263 14469.0290 241.3235 -203348.1484 2671.5833 0.0000 0.0000 51995.4687 -109199.4122 298.8187 -161194.8809 -108838.0394 299.2982 40.0690 65.0091 762018.7402 -9.3935 -9.5158 LDB: ============= START OF LOAD BALANCING ============== 12309.1 LDB: ============== END OF LOAD BALANCING =============== 12309.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12309.1 LDB: ============= START OF LOAD BALANCING ============== 12309.4 LDB: Largest compute 7057 load 0.027905 is 14.3% of average load 0.195185 LDB: Average compute 0.004406 is 2.3% of average load 0.195185 LDB: TIME 12309.4 LOAD: AVG 0.195185 MAX 0.218261 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.59 MB LDB: TIME 12309.4 LOAD: AVG 0.195185 MAX 0.218261 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.59 MB LDB: TIME 12309.4 LOAD: AVG 0.195185 MAX 0.21775 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.59 MB LDB: ============== END OF LOAD BALANCING =============== 12309.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12309.4 PRESSURE: 3936400 -250.63 -83.6466 51.2266 -83.6469 250.191 154.75 51.2266 154.749 -72.4698 GPRESSURE: 3936400 -155.402 -155.077 180.541 -65.9426 219.755 133.094 24.5277 173.039 -51.0319 PRESSAVG: 3936400 -27.2619 29.1234 -12.7652 29.1234 37.3506 -37.5455 -12.7651 -37.5456 0.34018 GPRESSAVG: 3936400 -27.579 29.9326 -14.5732 29.1178 36.0208 -37.4423 -13.0386 -36.7065 1.81474 TIMING: 3936400 CPU: 12297.2, 0.00314845/step Wall: 12297.2, 0.00314845/step, 0.930191 hours remaining, 234.261719 MB of memory in use. ENERGY: 3936400 4028.0791 20782.1747 14570.3070 237.5757 -203393.5520 2608.4474 0.0000 0.0000 51987.6189 -109179.3493 298.7736 -161166.9682 -108835.3276 299.4237 -24.3027 4.4405 759569.5802 3.4763 3.4189 PRESSURE: 3936600 -99.6979 3.23842 -21.1971 3.23855 322.678 -29.9191 -21.1966 -29.9188 311.262 GPRESSURE: 3936600 -85.8037 107.76 -77.6172 -63.7006 358.908 -82.5151 -57.9078 18.2781 337.008 PRESSAVG: 3936600 -1.65085 -23.4692 25.9424 -23.4692 21.6619 27.1798 25.9424 27.1799 33.7497 GPRESSAVG: 3936600 -2.83131 -25.3701 26.5287 -22.963 23.3422 25.6724 23.8825 30.1846 32.9946 TIMING: 3936600 CPU: 12297.9, 0.00309769/step Wall: 12297.9, 0.00309769/step, 0.915022 hours remaining, 234.464844 MB of memory in use. ENERGY: 3936600 3981.9279 20647.0320 14507.0244 241.2385 -203528.7141 2919.7879 0.0000 0.0000 52009.7789 -109221.9245 298.9009 -161231.7034 -108866.9887 299.4297 178.0809 203.3708 762034.7169 17.9202 17.8352 PRESSURE: 3936800 617.054 -268.531 71.0116 -268.531 -279.438 -1.18857 71.0122 -1.18844 249.73 GPRESSURE: 3936800 575.925 -219.991 83.4761 -282.52 -146.894 9.73012 71.7331 -15.1279 238.719 PRESSAVG: 3936800 -2.44291 -23.7184 23.3759 -23.7184 -18.3701 -11.594 23.3759 -11.594 13.2227 GPRESSAVG: 3936800 -1.5724 -24.3723 23.9746 -24.0492 -18.2273 -10.0917 23.4186 -15.0603 12.6798 TIMING: 3936800 CPU: 12298.5, 0.00310871/step Wall: 12298.5, 0.00310871/step, 0.918106 hours remaining, 234.464844 MB of memory in use. ENERGY: 3936800 3959.5528 20440.8805 14450.0648 247.8820 -203810.1739 3106.2988 0.0000 0.0000 52169.6639 -109435.8311 299.8198 -161605.4950 -109070.2185 298.7118 195.7819 222.5834 763143.9442 -2.5301 -2.3733 PRESSURE: 3937000 -40.9253 -146.57 -153.377 -146.571 -161.375 49.2907 -153.378 49.2901 -71.8409 GPRESSURE: 3937000 -57.1901 -144.293 -128.21 -121.095 -117.131 -17.1474 -34.6153 95.1887 -17.1418 PRESSAVG: 3937000 23.7394 -27.9535 12.3262 -27.9535 -17.2054 -14.6057 12.3262 -14.6057 -19.7189 GPRESSAVG: 3937000 24.2054 -26.4104 13.241 -27.2028 -16.4924 -14.2871 10.4507 -14.8529 -21.0002 TIMING: 3937000 CPU: 12299.1, 0.00312119/step Wall: 12299.1, 0.00312119/step, 0.921619 hours remaining, 234.464844 MB of memory in use. ENERGY: 3937000 3992.7162 20624.4894 14466.6602 241.0928 -203222.8422 2506.2136 0.0000 0.0000 52183.9497 -109207.7203 299.9019 -161391.6700 -108838.5440 299.3581 -91.3804 -63.8209 763265.0241 -4.3950 -4.4291 PRESSURE: 3937200 153.828 78.2859 -92.3396 78.2846 259.292 -95.7654 -92.3397 -95.7656 47.9296 GPRESSURE: 3937200 170.976 18.5671 -89.643 97.1494 272.022 -92.6362 -26.1145 -18.9723 102.792 PRESSAVG: 3937200 -23.4138 -29.8845 16.0315 -29.8845 -22.434 -33.1981 16.0315 -33.1981 4.23954 GPRESSAVG: 3937200 -23.6136 -29.4086 14.8528 -28.3157 -23.607 -33.4745 16.9519 -30.9409 5.47113 TIMING: 3937200 CPU: 12299.7, 0.00310953/step Wall: 12299.7, 0.00310953/step, 0.918003 hours remaining, 234.464844 MB of memory in use. ENERGY: 3937200 4005.7452 20570.9659 14461.4274 250.8300 -203878.8227 3215.5129 0.0000 0.0000 52159.4239 -109214.9173 299.7609 -161374.3412 -108849.1777 299.4286 153.6834 181.9301 762682.2552 -13.8694 -13.9165 PRESSURE: 3937400 -108.044 134.37 -8.90927 134.37 -83.0132 -43.024 -8.90915 -43.0246 98.0096 GPRESSURE: 3937400 -28.8965 118.081 -49.6823 -17.9339 -54.9582 -99.4301 -36.3419 -102.551 85.3253 PRESSAVG: 3937400 1.16628 -5.23013 11.8211 -5.23017 -11.9965 -13.8562 11.8212 -13.8562 -0.867764 GPRESSAVG: 3937400 1.75066 -5.16016 11.3116 -9.16619 -12.2639 -15.1474 13.8486 -13.2517 -1.0285 TIMING: 3937400 CPU: 12300.4, 0.0031159/step Wall: 12300.4, 0.0031159/step, 0.91971 hours remaining, 234.464844 MB of memory in use. ENERGY: 3937400 4025.4492 20548.7546 14480.1546 232.8125 -203695.2786 2939.3709 0.0000 0.0000 52162.7920 -109305.9449 299.7803 -161468.7370 -108942.1199 298.9499 -31.0158 0.4902 762188.1852 -3.8993 -3.8472 PRESSURE: 3937600 -55.9416 -272.812 351.146 -272.812 -193.627 147.413 351.145 147.413 -171.779 GPRESSURE: 3937600 -18.0782 -176.969 338.428 -230.586 -115.151 94.5227 233.737 177.576 -194.951 PRESSAVG: 3937600 30.2909 53.8044 28.051 53.8044 -25.0126 13.517 28.051 13.517 -5.41053 GPRESSAVG: 3937600 29.2636 53.5229 28.5683 56.6963 -25.5285 14.0832 28.8879 12.0614 -4.36238 TIMING: 3937600 CPU: 12301, 0.00312017/step Wall: 12301, 0.00312017/step, 0.920797 hours remaining, 234.664062 MB of memory in use. ENERGY: 3937600 4009.3503 20521.6369 14441.9410 242.1919 -203414.3023 2825.3580 0.0000 0.0000 51795.6328 -109578.1913 297.6702 -161373.8241 -109216.2731 298.7582 -140.4491 -109.3937 762951.6475 -0.0441 -0.2091 PRESSURE: 3937800 114.847 -87.8716 38.9279 -87.8718 -79.94 -83.3006 38.9283 -83.3016 311.235 GPRESSURE: 3937800 210.665 -199.124 78.7339 -105.215 -30.3263 -33.1958 106.275 -277.595 234.88 PRESSAVG: 3937800 11.2692 -6.64598 36.5112 -6.64601 13.6576 -9.37326 36.5111 -9.3733 7.69419 GPRESSAVG: 3937800 11.7112 -4.62567 34.0474 -8.59915 15.0327 -8.54749 35.8741 -9.59193 6.77898 TIMING: 3937800 CPU: 12301.6, 0.00312233/step Wall: 12301.6, 0.00312233/step, 0.921261 hours remaining, 234.664062 MB of memory in use. ENERGY: 3937800 4028.0843 20516.2257 14413.9861 272.5978 -203810.7349 2976.4129 0.0000 0.0000 52110.8464 -109492.5819 299.4818 -161603.4282 -109119.6465 298.4626 115.3808 138.4062 762037.3954 10.8737 11.1743 PRESSURE: 3938000 -27.9567 -74.9364 -262.686 -74.9366 -145.013 37.1199 -262.686 37.1201 -42.534 GPRESSURE: 3938000 -29.8938 -51.5354 -360.207 -58.713 -89.7847 90.9733 -259.805 38.109 -9.79683 PRESSAVG: 3938000 29.476 -4.92482 0.539128 -4.92481 -9.37929 33.4399 0.539153 33.44 1.41697 GPRESSAVG: 3938000 30.6275 -6.10911 2.79488 -4.73423 -9.71312 33.1442 -1.25344 32.8961 0.612567 TIMING: 3938000 CPU: 12302.2, 0.00311696/step Wall: 12302.2, 0.00311696/step, 0.919503 hours remaining, 234.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3938000 4028.3253 20517.1092 14385.3784 268.8153 -203625.1891 2849.1021 0.0000 0.0000 51991.0790 -109585.3799 298.7934 -161576.4589 -109221.3345 298.2444 -71.8345 -43.1584 762444.2550 7.1712 7.1757 PRESSURE: 3938200 -8.67149 202.88 -38.5372 202.881 -112.212 42.3437 -38.5366 42.3456 -194.424 GPRESSURE: 3938200 -26.1064 201.795 -16.5694 185.541 -81.6435 77.9706 -111.158 -14.3992 -118.127 PRESSAVG: 3938200 20.8644 19.6173 -11.7646 19.6174 13.58 -0.0974164 -11.7645 -0.097392 -13.9542 GPRESSAVG: 3938200 19.6124 19.6389 -10.91 21.0163 13.4628 -0.437263 -12.4664 3.16308 -12.8586 TIMING: 3938200 CPU: 12302.9, 0.00310746/step Wall: 12302.9, 0.00310746/step, 0.916529 hours remaining, 234.664062 MB of memory in use. ENERGY: 3938200 3978.1899 20464.5990 14449.8336 252.4023 -203110.1979 2472.1513 0.0000 0.0000 52016.2655 -109476.7564 298.9382 -161493.0219 -109116.8543 298.9165 -105.1025 -75.2922 762901.1564 6.8301 6.7389 PRESSURE: 3938400 31.8634 -203.807 -97.4427 -203.808 117.039 -38.4616 -97.4432 -38.4624 254.937 GPRESSURE: 3938400 158.484 -80.9071 8.86359 -157.919 107.786 -8.14536 -122.595 -156.614 218.666 PRESSAVG: 3938400 35.5612 20.0138 14.2607 20.0138 -33.5625 -54.2846 14.2606 -54.2845 6.33603 GPRESSAVG: 3938400 36.1913 22.1643 12.6461 18.4534 -34.2845 -54.7547 16.1629 -55.4336 6.63045 TIMING: 3938400 CPU: 12303.5, 0.00310363/step Wall: 12303.5, 0.00310363/step, 0.915227 hours remaining, 234.664062 MB of memory in use. ENERGY: 3938400 3988.8999 20507.7096 14503.2552 271.2291 -203580.5833 2939.0049 0.0000 0.0000 51897.7236 -109472.7610 298.2569 -161370.4846 -109115.4794 298.4713 134.6132 161.6453 761455.1691 2.7782 2.8458 PRESSURE: 3938600 159.393 -120.558 -191.758 -120.559 -98.4845 -145.005 -191.759 -145.005 -362.091 GPRESSURE: 3938600 185.356 -47.0792 -194.901 -82.5555 -92.7251 -184.659 -172.997 -47.878 -320.704 PRESSAVG: 3938600 46.2167 -52.7739 22.2049 -52.7739 -33.006 -25.7508 22.2049 -25.7508 5.0895 GPRESSAVG: 3938600 47.9036 -54.9247 23.7677 -52.6889 -33.5015 -25.2174 22.4641 -27.653 4.35126 TIMING: 3938600 CPU: 12304.1, 0.00312433/step Wall: 12304.1, 0.00312433/step, 0.921156 hours remaining, 234.664062 MB of memory in use. ENERGY: 3938600 4015.4035 20493.2190 14473.6392 267.9179 -203886.5219 2962.6230 0.0000 0.0000 52112.4715 -109561.2478 299.4911 -161673.7194 -109198.3840 298.8191 -100.3944 -76.0245 761185.6270 6.1001 6.2511 PRESSURE: 3938800 82.1018 92.3124 -161.766 92.3131 -64.9291 -93.0685 -161.766 -93.0691 174.476 GPRESSURE: 3938800 98.6777 108.229 -165.249 18.4666 24.0797 -58.3542 -202.588 -177.942 149.824 PRESSAVG: 3938800 81.5338 -8.60801 -54.5188 -8.60808 -75.2922 -26.7009 -54.5189 -26.7009 -8.6566 GPRESSAVG: 3938800 80.7695 -8.48841 -55.478 -8.81762 -75.3514 -26.3274 -54.2045 -25.3221 -8.03606 TIMING: 3938800 CPU: 12304.7, 0.00311186/step Wall: 12304.7, 0.00311186/step, 0.917307 hours remaining, 234.664062 MB of memory in use. ENERGY: 3938800 3967.1421 20542.7073 14484.1488 263.0076 -203556.3960 2827.4933 0.0000 0.0000 51985.9592 -109485.9377 298.7640 -161471.8969 -109131.6539 298.9818 63.8830 90.8605 762275.9298 -0.8050 -0.8727 PRESSURE: 3939000 76.2654 -14.6645 144.738 -14.6635 -141.068 -183.231 144.738 -183.231 -255.488 GPRESSURE: 3939000 24.0917 -11.3175 257.514 3.0525 -126.48 -79.1808 238.612 -187.525 -138.766 PRESSAVG: 3939000 64.8258 29.0959 -10.4564 29.096 -73.5911 57.8577 -10.4563 57.8576 -14.3014 GPRESSAVG: 3939000 64.2846 29.2941 -9.36355 31.0313 -72.9097 58.1989 -11.793 58.032 -14.4747 TIMING: 3939000 CPU: 12305.3, 0.00312393/step Wall: 12305.3, 0.00312393/step, 0.920692 hours remaining, 234.664062 MB of memory in use. ENERGY: 3939000 3988.5649 20369.5272 14481.0930 239.3007 -203326.5711 2754.4349 0.0000 0.0000 51836.4325 -109657.2179 297.9047 -161493.6503 -109300.0072 298.1386 -106.7634 -80.3845 761747.3031 -7.6889 -7.6999 PRESSURE: 3939200 232.99 -204.099 -9.20821 -204.099 -175.244 -29.6523 -9.2078 -29.6519 50.2876 GPRESSURE: 3939200 154.947 -171.012 25.0687 -314.521 -50.4003 21.5052 34.795 29.6052 95.7021 PRESSAVG: 3939200 -56.5477 6.39059 14.8303 6.39059 30.0589 16.8107 14.8303 16.8107 13.5267 GPRESSAVG: 3939200 -58.3192 5.9504 13.6319 5.06021 30.9367 16.6302 16.1 16.9315 14.3057 TIMING: 3939200 CPU: 12306, 0.0031263/step Wall: 12306, 0.0031263/step, 0.921217 hours remaining, 234.664062 MB of memory in use. ENERGY: 3939200 3992.1969 20508.1530 14532.9141 245.9695 -203403.3611 2720.1702 0.0000 0.0000 51704.6902 -109699.2673 297.1476 -161403.9575 -109346.8544 297.8182 36.0109 66.7496 760886.3363 -4.3207 -4.3589 PRESSURE: 3939400 -219.557 -83.6298 -19.6347 -83.6305 -114.22 175.317 -19.6356 175.316 -111.323 GPRESSURE: 3939400 -238.962 -96.2379 -42.0827 -118.826 -72.3843 169.853 -0.985967 86.5147 -50.1288 PRESSAVG: 3939400 41.3346 -0.744419 -32.8753 -0.744412 1.05594 6.17819 -32.8753 6.17833 -5.79953 GPRESSAVG: 3939400 43.3071 1.45013 -32.9895 -0.588814 -0.259456 5.8539 -32.7066 5.87357 -6.36693 TIMING: 3939400 CPU: 12306.6, 0.00312892/step Wall: 12306.6, 0.00312892/step, 0.921815 hours remaining, 234.664062 MB of memory in use. ENERGY: 3939400 4047.8583 20452.5040 14464.4700 250.6946 -203424.6323 2633.5605 0.0000 0.0000 51915.4938 -109660.0511 298.3591 -161575.5450 -109302.5134 298.2808 -148.3668 -120.4917 761438.2463 12.1970 12.2269 PRESSURE: 3939600 -236.209 31.7808 -201.321 31.7804 93.5282 -47.1916 -201.321 -47.1922 -416.246 GPRESSURE: 3939600 -150.352 62.2573 -167.144 9.09459 111.947 -65.7481 -92.3926 -59.8333 -429.237 PRESSAVG: 3939600 26.9937 47.9058 30.8895 47.9058 7.70499 22.8947 30.8894 22.8946 -1.15244 GPRESSAVG: 3939600 28.6112 44.971 30.816 49.2026 6.99265 21.9239 29.9263 23.4585 -1.70057 TIMING: 3939600 CPU: 12307.2, 0.00309354/step Wall: 12307.2, 0.00309354/step, 0.91122 hours remaining, 234.664062 MB of memory in use. ENERGY: 3939600 4042.2636 20355.5896 14447.9185 239.3077 -203602.8315 2779.0453 0.0000 0.0000 51940.7104 -109797.9963 298.5040 -161738.7067 -109436.9537 298.6211 -186.3089 -155.8808 762543.4407 11.1821 11.3011 PRESSURE: 3939800 -405.603 -27.3072 159.326 -27.307 -296.988 -10.971 159.327 -10.9707 -259.412 GPRESSURE: 3939800 -385.275 39.1093 106.205 70.5698 -270.399 77.125 62.3561 -145.433 -196.748 PRESSAVG: 3939800 -80.8625 25.1731 -24.1223 25.1731 101.516 -15.7118 -24.1223 -15.7118 -3.28827 GPRESSAVG: 3939800 -82.2529 24.4444 -24.0691 23.8143 102.694 -15.125 -24.9456 -14.9608 -2.60098 TIMING: 3939800 CPU: 12307.8, 0.00311801/step Wall: 12307.8, 0.00311801/step, 0.918253 hours remaining, 234.664062 MB of memory in use. ENERGY: 3939800 4073.1342 20477.5308 14401.6998 232.2128 -204014.7060 2892.9419 0.0000 0.0000 52145.5752 -109791.6112 299.6813 -161937.1864 -109432.5257 297.8579 -320.6679 -284.1408 761889.2387 5.7882 5.9467 PRESSURE: 3940000 120.967 -55.0091 154.893 -55.0098 -92.946 -204.772 154.892 -204.772 149.13 GPRESSURE: 3940000 57.4309 -12.1395 136.063 -16.1849 -39.9048 -183.967 117.351 -230.709 249.014 PRESSAVG: 3940000 -63.6107 11.3124 3.7498 11.3124 38.1612 -18.0759 3.74988 -18.0759 3.40205 GPRESSAVG: 3940000 -63.4606 11.676 4.21732 10.3833 39.0298 -17.4039 2.53178 -20.0536 2.89194 TIMING: 3940000 CPU: 12308.5, 0.00310118/step Wall: 12308.5, 0.00310118/step, 0.913126 hours remaining, 234.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3940000 3957.6107 20390.3756 14445.1776 267.8574 -203671.6645 3010.0966 0.0000 0.0000 51904.6055 -109695.9411 298.2965 -161600.5466 -109331.1401 298.5660 59.0502 88.8467 763067.4536 -7.3491 -7.1796 PRESSURE: 3940200 135.16 -141.532 10.7007 -141.531 103.578 -118.021 10.6988 -118.021 151.572 GPRESSURE: 3940200 181.153 -200.537 -107.536 -62.4182 170.115 -88.1301 -4.39001 -179.293 113.857 PRESSAVG: 3940200 -60.3234 -9.61209 -46.1891 -9.61215 95.5721 -31.4016 -46.1891 -31.4017 22.5413 GPRESSAVG: 3940200 -60.075 -10.3421 -46.2008 -7.8939 95.1228 -30.9969 -46.0402 -29.6679 22.1088 TIMING: 3940200 CPU: 12309.1, 0.00308992/step Wall: 12309.1, 0.00308992/step, 0.909637 hours remaining, 234.652344 MB of memory in use. ENERGY: 3940200 3950.6342 20372.9314 14473.7261 232.7031 -203896.7478 3076.5837 0.0000 0.0000 52193.6117 -109596.5578 299.9574 -161790.1694 -109239.7370 298.7813 130.1035 155.0415 762208.8203 19.2633 19.0522 LDB: ============= START OF LOAD BALANCING ============== 12321.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12321.6 LDB: =============== DONE WITH MIGRATION ================ 12321.6 LDB: ============= START OF LOAD BALANCING ============== 12321.9 LDB: Largest compute 7063 load 0.028565 is 14.6% of average load 0.195238 LDB: Average compute 0.004394 is 2.3% of average load 0.195238 LDB: TIME 12321.9 LOAD: AVG 0.195238 MAX 0.21556 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.234 MB LDB: TIME 12321.9 LOAD: AVG 0.195238 MAX 0.21556 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.438 MB LDB: TIME 12321.9 LOAD: AVG 0.195238 MAX 0.21556 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.438 MB LDB: ============== END OF LOAD BALANCING =============== 12321.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12321.9 PRESSURE: 3940400 -173.567 -99.3498 -327.397 -99.3494 -159.663 -135.159 -327.397 -135.159 -117.835 GPRESSURE: 3940400 -206.336 -145.737 -176.97 -39.4643 -159.445 -167.634 -344.565 -112.345 -10.3492 PRESSAVG: 3940400 16.5144 8.88168 -84.7359 8.8817 -16.8143 -16.7477 -84.7359 -16.7477 -2.09298 GPRESSAVG: 3940400 17.5095 11.2894 -82.8274 9.60569 -18.4036 -17.5736 -85.3716 -16.3428 -1.94452 TIMING: 3940400 CPU: 12309.7, 0.00317679/step Wall: 12309.7, 0.00317679/step, 0.935036 hours remaining, 235.542969 MB of memory in use. ENERGY: 3940400 3975.4672 20469.9498 14495.0286 240.8708 -203837.7984 2779.1799 0.0000 0.0000 52220.3814 -109656.9207 300.1112 -161877.3021 -109283.6469 298.8024 -150.3551 -125.3769 761622.2720 -0.7976 -0.9462 PRESSURE: 3940600 -451.287 -240.304 -162.1 -240.304 21.4991 276.707 -162.1 276.707 -229.068 GPRESSURE: 3940600 -363.849 -327.73 -197.863 -93.9487 66.8999 293.564 -25.4481 134.668 -279.631 PRESSAVG: 3940600 15.486 -7.56465 -32.8315 -7.56466 15.397 51.914 -32.8315 51.914 -16.7439 GPRESSAVG: 3940600 14.8642 -9.20139 -36.2318 -8.20478 16.5883 52.6928 -29.4293 51.1328 -17.3204 TIMING: 3940600 CPU: 12310.3, 0.00309283/step Wall: 12310.3, 0.00309283/step, 0.910152 hours remaining, 235.871094 MB of memory in use. ENERGY: 3940600 4049.5929 20625.8190 14462.8776 269.0402 -203455.1656 2750.1595 0.0000 0.0000 51893.0801 -109404.5963 298.2302 -161297.6764 -109044.5032 299.0301 -219.6188 -192.1933 762410.4400 4.7130 4.7107 PRESSURE: 3940800 20.8508 239.265 73.0866 239.265 298.355 150.352 73.0854 150.351 -203.526 GPRESSURE: 3940800 37.462 270.981 -18.8246 170.182 317.714 93.6388 34.9124 127.271 -140.376 PRESSAVG: 3940800 -23.3699 25.8095 -17.0934 25.8094 27.8532 59.5556 -17.0933 59.5556 -8.92851 GPRESSAVG: 3940800 -24.4004 26.6844 -15.7982 25.4906 28.5947 58.7149 -19.2417 60.1037 -9.00097 TIMING: 3940800 CPU: 12311, 0.00311476/step Wall: 12311, 0.00311476/step, 0.916432 hours remaining, 235.871094 MB of memory in use. ENERGY: 3940800 3971.8940 20566.7178 14439.8251 235.6460 -203351.0221 2731.3562 0.0000 0.0000 52012.7541 -109392.8288 298.9180 -161405.5830 -109029.6283 299.0435 38.5600 71.6000 761809.1771 -1.4817 -1.6022 PRESSURE: 3941000 -271.633 -178.429 -170.162 -178.428 -343.317 64.0181 -170.162 64.0182 -639.641 GPRESSURE: 3941000 -254.435 -35.3698 -191.133 -134.279 -257.808 109.807 -200.34 -96.497 -661.092 PRESSAVG: 3941000 -11.9342 5.72984 -19.4821 5.72982 35.2736 -46.5691 -19.4821 -46.5691 24.4974 GPRESSAVG: 3941000 -10.7004 6.12354 -19.3572 5.69663 35.0562 -45.1832 -19.0499 -48.3626 24.215 TIMING: 3941000 CPU: 12311.6, 0.00310126/step Wall: 12311.6, 0.00310126/step, 0.912288 hours remaining, 235.929688 MB of memory in use. ENERGY: 3941000 4012.2640 20484.3220 14427.5157 230.5946 -203180.6501 2594.8331 0.0000 0.0000 52077.8125 -109353.3082 299.2919 -161431.1208 -108978.1597 299.1913 -418.1969 -391.1116 764563.8828 15.9456 16.1903 PRESSURE: 3941200 7.41201 3.17182 -106.44 3.17209 -142.819 170.853 -106.44 170.853 51.3526 GPRESSURE: 3941200 -11.2264 -7.77811 -45.2755 80.1589 -79.3996 151.341 -84.7026 66.8162 98.3548 PRESSAVG: 3941200 -15.3445 11.3329 -23.9791 11.3329 27.8327 29.5857 -23.9791 29.5857 -9.76667 GPRESSAVG: 3941200 -15.9667 11.0368 -22.7305 9.9666 27.2725 28.1428 -25.1967 29.838 -8.29769 TIMING: 3941200 CPU: 12312.2, 0.00308685/step Wall: 12312.2, 0.00308685/step, 0.907877 hours remaining, 235.929688 MB of memory in use. ENERGY: 3941200 4004.1611 20761.1363 14455.2068 252.2429 -203396.6436 2801.1912 0.0000 0.0000 51893.7646 -109228.9406 298.2342 -161122.7052 -108861.2060 299.0686 -28.0181 2.5763 764224.0198 0.9072 1.0027 PRESSURE: 3941400 310.596 11.983 152.178 11.9839 -240.943 165.363 152.178 165.363 143.577 GPRESSURE: 3941400 280.964 59.5669 19.6494 4.35234 -125.577 142.819 225.207 258.079 171.728 PRESSAVG: 3941400 -26.5253 -40.2968 19.3777 -40.2968 32.4382 -5.97346 19.3776 -5.97345 8.16996 GPRESSAVG: 3941400 -26.9837 -39.6688 18.511 -40.8157 33.1145 -5.67016 21.821 -3.88058 8.19803 TIMING: 3941400 CPU: 12312.8, 0.00310303/step Wall: 12312.8, 0.00310304/step, 0.912465 hours remaining, 236.128906 MB of memory in use. ENERGY: 3941400 3936.8559 20564.4637 14502.0751 239.5345 -203365.3149 2833.4475 0.0000 0.0000 52049.5724 -109239.3657 299.1296 -161288.9381 -108863.4670 299.2858 71.0767 109.0384 763304.4157 4.6943 4.7763 PRESSURE: 3941600 -308.137 -230.55 23.2203 -230.549 -139.192 -10.4974 23.2213 -10.497 -463.869 GPRESSURE: 3941600 -242.432 -196.003 132.556 -190.102 -46.0461 -107.718 -66.4629 -60.9916 -545.61 PRESSAVG: 3941600 3.79098 -41.6546 -24.2218 -41.6545 6.55804 6.63829 -24.2218 6.63832 5.91221 GPRESSAVG: 3941600 4.86642 -41.4588 -23.8223 -39.2787 6.99626 7.62976 -26.1287 5.51283 4.27184 TIMING: 3941600 CPU: 12313.4, 0.00309865/step Wall: 12313.4, 0.00309865/step, 0.911003 hours remaining, 236.128906 MB of memory in use. ENERGY: 3941600 4003.8262 20717.6735 14422.4159 244.6198 -203327.7420 2576.8216 0.0000 0.0000 52144.7832 -109217.6018 299.6768 -161362.3849 -108855.3628 299.4995 -303.7325 -278.0291 763834.1160 5.4204 5.3782 PRESSURE: 3941800 203.589 59.1231 158.586 59.1232 241.364 158.871 158.587 158.871 669.309 GPRESSURE: 3941800 219.308 -18.6402 175.329 8.68711 255.34 179.543 85.8611 174.545 698.109 PRESSAVG: 3941800 7.28098 -15.1713 -34.9002 -15.1712 59.4451 47.8765 -34.9002 47.8764 -3.64802 GPRESSAVG: 3941800 6.9529 -17.637 -34.8777 -16.8146 59.7134 47.6716 -35.1273 46.4536 -3.31274 TIMING: 3941800 CPU: 12314.1, 0.00309858/step Wall: 12314.1, 0.00309858/step, 0.91081 hours remaining, 236.140625 MB of memory in use. ENERGY: 3941800 4004.5009 20758.8904 14530.9256 245.2125 -203723.2162 3025.5105 0.0000 0.0000 52114.3062 -109043.8702 299.5016 -161158.1764 -108676.8304 299.6717 371.4207 390.9190 761414.7213 21.0260 21.1179 PRESSURE: 3942000 56.8493 262.325 -135.767 262.325 8.45955 -157.751 -135.767 -157.75 211.449 GPRESSURE: 3942000 123.795 168.027 -96.8166 307.721 52.9199 -140.95 -111.721 -77.5119 183.194 PRESSAVG: 3942000 2.10749 22.0792 -5.928 22.0791 10.2962 42.5598 -5.92794 42.5597 8.35509 GPRESSAVG: 3942000 1.45982 22.7835 -6.23385 21.9946 9.98915 41.7878 -5.20042 45.0986 9.19118 TIMING: 3942000 CPU: 12314.7, 0.00310204/step Wall: 12314.7, 0.00310204/step, 0.911654 hours remaining, 236.140625 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: 3942000 3983.5479 20492.1191 14458.4592 245.4470 -203372.1157 2695.9392 0.0000 0.0000 52128.0906 -109368.5127 299.5809 -161496.6033 -108994.3258 299.5409 92.2525 119.9694 761320.2316 6.9196 6.8800 PRESSURE: 3942200 119.321 -0.929369 167.005 -0.929057 -377.491 -107.74 167.005 -107.741 -134.895 GPRESSURE: 3942200 197.196 -20.6771 231.456 -157.923 -296.817 -132.8 168.689 -99.2872 -187.904 PRESSAVG: 3942200 31.5071 -16.1608 -3.34627 -16.1608 -11.1212 38.9838 -3.34619 38.9838 24.8976 GPRESSAVG: 3942200 31.2084 -17.142 -1.74227 -16.1564 -9.96877 39.2254 -4.75611 36.4573 24.0016 TIMING: 3942200 CPU: 12315.3, 0.00309958/step Wall: 12315.3, 0.00309958/step, 0.910761 hours remaining, 236.140625 MB of memory in use. ENERGY: 3942200 4061.9474 20529.6372 14435.8066 233.6021 -203505.8449 2839.5222 0.0000 0.0000 52093.3769 -109311.9526 299.3814 -161405.3294 -108953.2744 299.2783 -131.0216 -95.8417 761214.6266 15.0945 15.0804 PRESSURE: 3942400 50.1054 -96.5716 -22.7579 -96.5714 -197.851 114.124 -22.7573 114.123 -82.9965 GPRESSURE: 3942400 39.7706 15.8294 32.8184 -175.923 -221.752 58.8205 -100.647 -14.8487 30.108 PRESSAVG: 3942400 16.8853 21.3074 65.5439 21.3075 15.8884 25.6075 65.5439 25.6074 9.14894 GPRESSAVG: 3942400 16.9853 22.2905 63.3318 20.5643 15.029 27.0484 66.8981 27.0457 9.81953 TIMING: 3942400 CPU: 12315.9, 0.00309752/step Wall: 12315.9, 0.00309752/step, 0.909984 hours remaining, 236.140625 MB of memory in use. ENERGY: 3942400 4008.0979 20675.6667 14525.7363 246.7228 -203309.2232 2548.6528 0.0000 0.0000 52017.8131 -109286.5336 298.9471 -161304.3467 -108912.5373 298.8923 -76.9141 -50.6246 762575.9995 13.9742 13.9446 PRESSURE: 3942600 134.048 16.883 -1.3619 16.8822 145.186 244.509 -1.36152 244.509 37.0024 GPRESSURE: 3942600 92.6862 75.5886 -22.4519 -59.7351 199.319 194.973 1.0031 177.032 111.974 PRESSAVG: 3942600 10.8334 1.00545 -39.2008 1.00543 12.9751 1.10593 -39.2008 1.10599 -9.14024 GPRESSAVG: 3942600 11.5281 2.17347 -39.5806 1.1511 12.5746 0.454071 -38.61 -0.274551 -9.44235 TIMING: 3942600 CPU: 12316.5, 0.00310124/step Wall: 12316.5, 0.00310124/step, 0.910905 hours remaining, 236.140625 MB of memory in use. ENERGY: 3942600 4021.9047 20493.9980 14470.0038 239.5933 -203727.8483 2853.3482 0.0000 0.0000 52267.2715 -109381.7289 300.3807 -161649.0004 -109017.1001 299.1593 105.4120 134.6597 761901.6263 4.8894 4.8868 PRESSURE: 3942800 47.8759 84.4228 -235.86 84.4228 158.561 -127.116 -235.86 -127.117 -424.72 GPRESSURE: 3942800 112.248 95.3682 -203.981 54.6315 148.84 -205.672 -223.034 -76.5633 -392.666 PRESSAVG: 3942800 -22.2147 -47.7998 -49.6742 -47.7999 62.625 -22.7572 -49.6741 -22.7572 -6.41193 GPRESSAVG: 3942800 -21.2563 -47.1597 -48.2744 -46.9756 63.1011 -23.3094 -50.4628 -20.6566 -7.47687 TIMING: 3942800 CPU: 12317.2, 0.00311119/step Wall: 12317.2, 0.00311119/step, 0.913652 hours remaining, 236.140625 MB of memory in use. ENERGY: 3942800 4000.4967 20399.9278 14512.2423 262.5950 -203366.1023 2686.6520 0.0000 0.0000 52038.1065 -109466.0820 299.0637 -161504.1884 -109107.8722 298.7748 -72.7611 -43.8595 763311.3152 11.3328 11.4560 PRESSURE: 3943000 -111.73 28.3509 -104.67 28.351 85.422 -73.8054 -104.67 -73.8046 -278.175 GPRESSURE: 3943000 -60.8926 32.0489 79.0651 116.853 68.3222 -97.2417 -81.2488 -54.4668 -222.118 PRESSAVG: 3943000 -4.40754 16.0015 -43.0481 16.0015 44.2829 29.8066 -43.0481 29.8066 7.02189 GPRESSAVG: 3943000 -5.97126 14.2682 -44.7979 17.1426 44.1315 30.6505 -42.6731 29.2653 8.74307 TIMING: 3943000 CPU: 12317.8, 0.00311322/step Wall: 12317.8, 0.00311322/step, 0.914075 hours remaining, 236.140625 MB of memory in use. ENERGY: 3943000 4000.0595 20488.0056 14463.8053 231.5438 -203487.3892 2806.0691 0.0000 0.0000 51874.0656 -109623.8404 298.1210 -161497.9060 -109262.0959 298.7156 -101.4944 -71.5628 761986.3057 15.6324 15.6344 PRESSURE: 3943200 -472.23 -15.5107 -31.6095 -15.5099 96.04 230.216 -31.6096 230.217 99.3957 GPRESSURE: 3943200 -324.671 -93.805 -40.1381 44.6249 111.991 222.201 -62.6481 195.021 4.68362 PRESSAVG: 3943200 -15.9913 -20.1056 -13.9675 -20.1056 4.20173 -19.0773 -13.9675 -19.0773 -1.46401 GPRESSAVG: 3943200 -16.0934 -20.8189 -11.9929 -18.9544 5.69395 -20.6441 -15.0458 -20.4155 -2.36122 TIMING: 3943200 CPU: 12318.4, 0.00309898/step Wall: 12318.4, 0.00309898/step, 0.909723 hours remaining, 236.140625 MB of memory in use. ENERGY: 3943200 4058.1850 20415.3224 14483.6106 231.2703 -203243.3436 2782.5652 0.0000 0.0000 51500.2735 -109772.1166 295.9728 -161272.3901 -109419.4274 297.8453 -92.2647 -69.3320 764349.6613 -4.4179 -4.2535 PRESSURE: 3943400 -68.2016 130.958 153.644 130.958 -134.162 15.4457 153.645 15.4449 -66.1566 GPRESSURE: 3943400 -4.67004 151.046 189.33 58.317 -68.5642 19.4945 32.3572 84.6074 -105.194 PRESSAVG: 3943400 -19.3099 19.2154 -40.2539 19.2154 7.5201 29.6172 -40.2539 29.6172 4.67 GPRESSAVG: 3943400 -18.7378 22.1946 -40.5172 15.88 6.7664 29.5765 -40.294 29.3277 5.03954 TIMING: 3943400 CPU: 12319, 0.00311215/step Wall: 12319, 0.00311215/step, 0.913416 hours remaining, 236.140625 MB of memory in use. ENERGY: 3943400 3955.5205 20505.6292 14552.2825 234.3551 -203316.3582 2546.0528 0.0000 0.0000 52049.0650 -109473.4530 299.1267 -161522.5181 -109105.1911 298.5256 -89.5067 -59.4762 761864.8494 -2.3733 -2.3106 PRESSURE: 3943600 101.767 -212.588 -160.227 -212.589 -225.59 121.754 -160.227 121.756 -318.84 GPRESSURE: 3943600 95.1302 -170.692 -89.9439 -191.458 -159.795 97.3429 -139.954 150.927 -317.175 PRESSAVG: 3943600 24.3852 9.95519 29.2667 9.9552 8.10867 9.63608 29.2667 9.63613 -21.8305 GPRESSAVG: 3943600 23.5508 8.54933 28.304 11.762 8.18197 10.1376 29.7488 9.68199 -20.8453 TIMING: 3943600 CPU: 12319.6, 0.00309621/step Wall: 12319.6, 0.00309621/step, 0.908566 hours remaining, 236.140625 MB of memory in use. ENERGY: 3943600 4004.7884 20539.4873 14507.4837 238.4219 -203107.6126 2441.2342 0.0000 0.0000 51910.9285 -109465.2684 298.3328 -161376.1969 -109099.1886 298.7002 -147.5545 -127.2800 761203.9384 3.5544 3.6292 PRESSURE: 3943800 98.4868 241.539 51.2145 241.539 -157.591 -364.043 51.2149 -364.043 193.613 GPRESSURE: 3943800 174.536 182.998 80.858 352.542 -113.15 -386.229 15.0554 -297.582 166.629 PRESSAVG: 3943800 20.4095 -3.05199 12.2097 -3.05195 -17.2163 15.7688 12.2098 15.7688 -3.29034 GPRESSAVG: 3943800 21.7616 -3.17778 12.2677 -5.12416 -16.8541 15.116 12.3381 16.1907 -4.48026 TIMING: 3943800 CPU: 12320.3, 0.0031046/step Wall: 12320.3, 0.0031046/step, 0.910856 hours remaining, 236.140625 MB of memory in use. ENERGY: 3943800 4064.1446 20399.1422 14459.6758 250.1618 -203376.2646 2929.4792 0.0000 0.0000 51974.5793 -109299.0817 298.6986 -161273.6609 -108930.5597 299.0045 44.8365 76.0049 763232.4764 -0.0324 0.1424 PRESSURE: 3944000 49.444 48.2973 -75.5834 48.2969 -346.852 -96.9565 -75.5839 -96.9572 -386.083 GPRESSURE: 3944000 40.314 -68.8859 -176.3 -12.9236 -233.662 -77.9336 -31.3664 -6.99967 -386.548 PRESSAVG: 3944000 1.71616 45.8344 16.5871 45.8343 -30.737 53.8499 16.5871 53.8498 1.31909 GPRESSAVG: 3944000 0.679033 46.5125 16.1448 48.402 -30.9158 55.207 16.7132 53.4062 2.19652 TIMING: 3944000 CPU: 12320.9, 0.003099/step Wall: 12320.9, 0.003099/step, 0.909039 hours remaining, 236.140625 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: 3944000 4014.9950 20701.9598 14493.1437 259.3377 -203196.1805 2603.5905 0.0000 0.0000 51850.1106 -109273.0432 297.9833 -161123.1538 -108921.9785 298.7926 -227.8301 -193.2985 762099.8688 -9.2339 -9.3468 PRESSURE: 3944200 -260.208 -44.786 -211.059 -44.786 -119.301 -116.338 -211.06 -116.338 18.4033 GPRESSURE: 3944200 -174.765 -98.9715 -152.436 -42.9877 -173.198 -41.8925 -226.11 -113.563 48.1639 PRESSAVG: 3944200 15.8719 11.7504 21.7735 11.7504 -23.1698 24.8262 21.7735 24.8263 -14.203 GPRESSAVG: 3944200 16.3512 9.67799 23.1415 11.0409 -22.8383 23.7941 21.6226 25.5196 -15.2879 TIMING: 3944200 CPU: 12321.5, 0.00310502/step Wall: 12321.5, 0.00310502/step, 0.910634 hours remaining, 236.140625 MB of memory in use. ENERGY: 3944200 3958.8612 20620.5390 14439.2738 266.1343 -203197.3292 2565.7285 0.0000 0.0000 52006.1452 -109340.6472 298.8800 -161346.7924 -108983.2291 298.8906 -120.3686 -99.9332 762996.1935 -7.1670 -7.2583 LDB: ============= START OF LOAD BALANCING ============== 12334 LDB: ============== END OF LOAD BALANCING =============== 12334 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12334 LDB: ============= START OF LOAD BALANCING ============== 12334.3 LDB: Largest compute 7077 load 0.027516 is 14.1% of average load 0.195217 LDB: Average compute 0.004387 is 2.2% of average load 0.195217 LDB: TIME 12334.3 LOAD: AVG 0.195217 MAX 0.21553 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.723 MB LDB: TIME 12334.3 LOAD: AVG 0.195217 MAX 0.21553 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.801 MB LDB: TIME 12334.3 LOAD: AVG 0.195217 MAX 0.21553 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.801 MB LDB: ============== END OF LOAD BALANCING =============== 12334.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12334.3 PRESSURE: 3944400 -403.854 -68.3798 -33.8896 -68.3798 -11.5237 111.367 -33.8896 111.367 154.123 GPRESSURE: 3944400 -373.266 42.2095 -138.968 -115.57 -12.3324 92.2938 105.822 -62.7593 196.93 PRESSAVG: 3944400 13.0706 19.3456 -24.4913 19.3456 13.0263 -12.4523 -24.4914 -12.4523 23.0091 GPRESSAVG: 3944400 13.7122 23.3605 -24.6239 17.4307 11.4667 -12.6484 -24.4558 -11.9817 24.5838 TIMING: 3944400 CPU: 12322.1, 0.00317079/step Wall: 12322.1, 0.00317079/step, 0.929746 hours remaining, 234.261719 MB of memory in use. ENERGY: 3944400 4022.0658 20560.0342 14518.0059 254.5144 -203562.4838 2819.2509 0.0000 0.0000 51853.6527 -109534.9599 298.0037 -161388.6125 -109179.6189 299.2241 -87.0847 -62.8895 762619.1182 16.3687 16.5876 PRESSURE: 3944600 -32.0466 144.809 -11.2798 144.81 130.064 101.349 -11.2801 101.35 -62.2553 GPRESSURE: 3944600 9.88447 229.543 -70.1025 183.647 144.083 141.044 -94.2048 99.5677 -23.9346 PRESSAVG: 3944600 21.2552 11.8861 -22.1076 11.8861 0.535586 13.0535 -22.1076 13.0534 -5.23645 GPRESSAVG: 3944600 19.7403 11.2195 -21.8168 11.7738 1.50521 13.062 -22.9047 12.4807 -4.6806 TIMING: 3944600 CPU: 12322.8, 0.00312557/step Wall: 12322.8, 0.00312557/step, 0.916313 hours remaining, 234.464844 MB of memory in use. ENERGY: 3944600 3965.1502 20595.4060 14512.8758 240.7869 -203677.5838 2930.0994 0.0000 0.0000 51846.8484 -109586.4171 297.9646 -161433.2654 -109219.1438 298.4341 11.9208 43.3442 763406.2867 5.5181 5.5216 PRESSURE: 3944800 -47.885 243.313 193.045 243.313 -104.279 -38.5939 193.044 -38.5925 58.6226 GPRESSURE: 3944800 25.6505 224.683 228.46 180.85 -74.997 -39.6092 256.96 -86.1437 51.6563 PRESSAVG: 3944800 8.16602 43.9511 38.7369 43.9511 -20.8453 -9.30743 38.7368 -9.30738 28.762 GPRESSAVG: 3944800 9.97379 43.9943 37.995 44.8536 -21.7019 -8.75022 39.9765 -10.2499 27.3319 TIMING: 3944800 CPU: 12323.4, 0.0031154/step Wall: 12323.4, 0.0031154/step, 0.913159 hours remaining, 234.464844 MB of memory in use. ENERGY: 3944800 4000.8753 20529.6313 14474.5255 238.9460 -203776.0047 2988.8826 0.0000 0.0000 52066.2800 -109476.8640 299.2256 -161543.1440 -109121.7334 298.5487 -31.1805 0.7699 762688.8017 5.3609 5.2013 PRESSURE: 3945000 159.912 69.737 233.149 69.738 82.6556 -101.01 233.149 -101.01 -124.664 GPRESSURE: 3945000 54.1371 120.47 179.162 54.1075 239.069 -104.302 193.298 -115.211 -91.1338 PRESSAVG: 3945000 28.4458 -6.78194 23.4395 -6.78196 -40.5575 20.9224 23.4394 20.9224 1.31693 GPRESSAVG: 3945000 27.7397 -9.87179 24.4465 -7.35163 -40.0855 21.9837 22.6798 17.852 2.14717 TIMING: 3945000 CPU: 12324, 0.00312261/step Wall: 12324, 0.00312261/step, 0.915098 hours remaining, 234.464844 MB of memory in use. ENERGY: 3945000 3960.7279 20484.5134 14394.9600 243.3293 -203310.3012 2773.8920 0.0000 0.0000 52128.1423 -109324.7364 299.5812 -161452.8786 -108950.7231 298.9075 39.3014 67.3575 764099.5980 -3.5982 -3.3996 PRESSURE: 3945200 238.332 -145.677 6.4743 -145.677 -44.941 -167.27 6.47411 -167.269 -46.3007 GPRESSURE: 3945200 265.448 -140.294 110.091 -136.522 6.11578 -134.502 -18.5012 -20.246 -56.545 PRESSAVG: 3945200 -17.9557 12.9232 -25.0147 12.9232 14.6955 5.45046 -25.0147 5.45043 2.52271 GPRESSAVG: 3945200 -17.9 13.6223 -26.5822 14.1784 17.1766 4.17746 -25.9389 11.1015 0.971205 TIMING: 3945200 CPU: 12324.6, 0.00312836/step Wall: 12324.6, 0.00312836/step, 0.91661 hours remaining, 234.464844 MB of memory in use. ENERGY: 3945200 3942.2187 20584.6061 14431.6409 250.1624 -203350.5576 2786.8042 0.0000 0.0000 52009.9761 -109345.1492 298.9020 -161355.1252 -108982.9091 299.2174 49.0302 71.6728 763664.8996 -0.2458 0.0826 PRESSURE: 3945400 21.2098 41.7791 -150.542 41.7787 32.9669 -246.944 -150.542 -246.943 150.651 GPRESSURE: 3945400 -1.62807 35.8866 -79.1179 -64.8393 167.591 -330.593 -111.691 -130.162 107.125 PRESSAVG: 3945400 -57.9044 14.0968 -55.4833 14.0968 45.9947 -59.8867 -55.4833 -59.8867 -6.38786 GPRESSAVG: 3945400 -58.1038 14.4593 -54.7914 13.8352 45.8681 -58.2613 -54.8803 -63.8198 -6.40991 TIMING: 3945400 CPU: 12325.3, 0.0031084/step Wall: 12325.3, 0.0031084/step, 0.910587 hours remaining, 234.464844 MB of memory in use. ENERGY: 3945400 3968.6297 20557.9330 14396.4249 247.9363 -203319.4572 2931.5729 0.0000 0.0000 51865.0504 -109351.9102 298.0692 -161216.9606 -108985.3454 299.0846 68.2758 91.0291 761434.1517 -6.0992 -6.2152 PRESSURE: 3945600 -170.405 249.373 233.314 249.373 37.9593 -33.4018 233.314 -33.4017 -200.202 GPRESSURE: 3945600 -81.7243 123.234 169.409 252.925 33.858 25.821 293.602 -40.7574 -209.795 PRESSAVG: 3945600 -39.4058 82.8578 14.8004 82.8578 23.4777 -73.1217 14.8004 -73.1218 1.40021 GPRESSAVG: 3945600 -38.8576 82.1065 15.9434 82.7511 21.7188 -74.7251 14.0893 -71.534 2.46691 TIMING: 3945600 CPU: 12325.9, 0.00310867/step Wall: 12325.9, 0.00310867/step, 0.910495 hours remaining, 234.667969 MB of memory in use. ENERGY: 3945600 3950.3520 20580.1827 14423.5460 243.0858 -203206.1202 2690.1749 0.0000 0.0000 51920.7915 -109397.9874 298.3895 -161318.7788 -109033.5078 298.7623 -110.8824 -85.8869 760955.6694 -4.8426 -4.8906 PRESSURE: 3945800 -59.0703 156.938 -102.974 156.937 -304.957 292.316 -102.974 292.316 -109.103 GPRESSURE: 3945800 -80.7991 204.75 -10.8194 165.016 -323.08 211.418 -113.116 52.7839 22.7026 PRESSAVG: 3945800 -42.1477 11.6051 31.1881 11.6051 7.73766 -40.2995 31.1881 -40.2994 -8.48059 GPRESSAVG: 3945800 -41.5899 12.4752 31.3013 11.637 7.10192 -39.9896 32.1704 -42.4778 -8.42349 TIMING: 3945800 CPU: 12326.5, 0.00310926/step Wall: 12326.5, 0.00310926/step, 0.910494 hours remaining, 234.667969 MB of memory in use. ENERGY: 3945800 3949.7793 20474.4435 14478.0471 263.7698 -203203.3636 2748.6601 0.0000 0.0000 52026.1718 -109262.4919 298.9951 -161288.6638 -108903.3007 299.1945 -157.7099 -127.0587 762331.0603 -14.2969 -14.3038 PRESSURE: 3946000 38.0934 -24.7162 -108.441 -24.7155 85.4007 -106.673 -108.442 -106.673 -129.813 GPRESSURE: 3946000 20.7555 -91.966 -105.182 24.1886 154.654 -209.022 -203.126 -42.6517 -94.0687 PRESSAVG: 3946000 -23.6741 29.0974 -7.11995 29.0975 47.656 -7.85287 -7.11993 -7.85286 5.44327 GPRESSAVG: 3946000 -24.9242 28.149 -9.29374 29.8325 48.9383 -8.54347 -7.66696 -7.20899 5.39001 TIMING: 3946000 CPU: 12327.1, 0.00311002/step Wall: 12327.1, 0.00311002/step, 0.910543 hours remaining, 234.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3946000 3960.3066 20519.6210 14475.5812 260.0782 -203482.6640 2754.0217 0.0000 0.0000 52219.6715 -109293.3838 300.1072 -161513.0553 -108919.0651 299.1498 -2.1062 27.1134 759962.7079 9.8084 9.8014 PRESSURE: 3946200 -304.32 35.786 113.583 35.7863 -345.588 228.487 113.584 228.487 -182.446 GPRESSURE: 3946200 -341.589 24.8459 81.4145 10.3216 -169.949 222.733 171.002 233.916 -233.807 PRESSAVG: 3946200 -42.0464 71.261 8.70731 71.261 53.0941 -6.66461 8.70738 -6.66461 2.8819 GPRESSAVG: 3946200 -40.9128 72.4242 9.09122 69.683 54.1856 -5.99958 7.93471 -5.47516 1.15956 TIMING: 3946200 CPU: 12327.7, 0.00311961/step Wall: 12327.7, 0.00311961/step, 0.913178 hours remaining, 234.667969 MB of memory in use. ENERGY: 3946200 4002.7350 20648.3213 14469.5700 235.3130 -203059.5072 2577.2385 0.0000 0.0000 51906.8123 -109219.5173 298.3092 -161126.3296 -108859.3123 299.4541 -277.4512 -248.4484 763169.9591 4.6432 4.8108 PRESSURE: 3946400 203.283 194.549 194.258 194.548 156.53 -5.82367 194.258 -5.82494 359.982 GPRESSURE: 3946400 157.682 69.9902 226.018 284.299 301.977 -84.7906 172.665 4.71467 344.042 PRESSAVG: 3946400 -23.2496 -36.75 -3.2148 -36.7501 23.8359 -75.1703 -3.21474 -75.1704 7.67268 GPRESSAVG: 3946400 -22.9096 -35.9111 -3.30664 -36.6942 22.2786 -76.6967 -0.275281 -73.541 9.22271 TIMING: 3946400 CPU: 12328.4, 0.00311473/step Wall: 12328.4, 0.00311473/step, 0.911578 hours remaining, 234.667969 MB of memory in use. ENERGY: 3946400 3937.7004 20631.7683 14496.6354 231.0865 -203679.9557 2981.9261 0.0000 0.0000 52035.7420 -109365.0971 299.0501 -161400.8391 -108997.3491 298.8799 239.9317 267.9007 761649.1361 2.7530 2.8639 PRESSURE: 3946600 -135.665 -107.798 40.9009 -107.798 387.321 21.2514 40.9007 21.252 301.039 GPRESSURE: 3946600 29.6331 -50.9069 -32.5344 -57.7283 335.263 -3.82802 -43.9415 135.873 264.986 PRESSAVG: 3946600 -15.1374 34.1373 -8.07928 34.1373 43.218 -12.577 -8.07934 -12.577 1.78726 GPRESSAVG: 3946600 -14.9983 31.3478 -7.38013 35.5494 42.6693 -10.8809 -11.1815 -14.6295 1.6607 TIMING: 3946600 CPU: 12329, 0.00313307/step Wall: 12329, 0.00313306/step, 0.91677 hours remaining, 234.667969 MB of memory in use. ENERGY: 3946600 4045.2780 20617.9789 14502.2175 240.5590 -203233.2370 2866.3402 0.0000 0.0000 51644.9122 -109315.9511 296.8040 -160960.8633 -108957.9866 298.9957 184.2316 209.9607 762900.9713 9.9560 9.7772 PRESSURE: 3946800 -37.5162 4.52024 270.86 4.52065 95.7207 -102.302 270.859 -102.303 38.9855 GPRESSURE: 3946800 -55.9027 -8.44734 238.05 17.8162 103.746 -50.2246 382.935 -161.33 128.871 PRESSAVG: 3946800 -0.468325 7.36958 -5.19008 7.36956 12.6084 -27.6346 -5.19012 -27.6346 19.5766 GPRESSAVG: 3946800 -1.95308 7.11439 -4.11945 7.28706 13.3452 -27.0715 -4.98459 -26.6812 20.4434 TIMING: 3946800 CPU: 12329.6, 0.00313024/step Wall: 12329.6, 0.00313024/step, 0.915768 hours remaining, 234.667969 MB of memory in use. ENERGY: 3946800 3967.4676 20646.7682 14539.1589 233.2705 -203431.5395 2782.3366 0.0000 0.0000 51942.2839 -109320.2539 298.5130 -161262.5378 -108959.0011 298.6205 32.3967 58.9048 763808.0877 10.5722 10.6118 PRESSURE: 3947000 247.856 236.724 -123.423 236.724 -22.5658 139.07 -123.422 139.07 468.056 GPRESSURE: 3947000 316.56 130.616 -141.803 13.1984 -14.0397 163.502 -91.2438 -5.96989 477.572 PRESSAVG: 3947000 1.03443 16.2833 -23.8687 16.2833 -15.3475 -4.49827 -23.8687 -4.49827 -11.5181 GPRESSAVG: 3947000 1.55171 17.5015 -24.1674 17.1627 -14.7391 -4.06137 -22.5923 -5.19338 -12.6436 TIMING: 3947000 CPU: 12330.2, 0.00313671/step Wall: 12330.2, 0.00313671/step, 0.917489 hours remaining, 234.667969 MB of memory in use. ENERGY: 3947000 4026.1164 20538.6783 14530.0174 254.7203 -203627.3946 3173.9955 0.0000 0.0000 52015.0262 -109088.8405 298.9311 -161103.8667 -108722.8061 299.4294 231.1153 260.0309 762533.5290 -8.6104 -8.6103 PRESSURE: 3947200 275.297 -38.1576 -71.2909 -38.1582 32.3405 -159.789 -71.2914 -159.789 74.3481 GPRESSURE: 3947200 315.121 -104.135 -104.853 -33.0563 71.5926 -193.664 51.6701 -95.7131 81.4301 PRESSAVG: 3947200 40.6746 11.4769 -34.2685 11.4768 0.210018 0.136231 -34.2685 0.136216 -6.90937 GPRESSAVG: 3947200 41.3583 10.7442 -35.0219 8.0707 -0.931579 -0.713492 -35.8309 0.256438 -6.29295 TIMING: 3947200 CPU: 12330.9, 0.00312497/step Wall: 12330.9, 0.00312497/step, 0.91388 hours remaining, 234.667969 MB of memory in use. ENERGY: 3947200 4050.7311 20624.2920 14469.3982 254.5619 -203718.3076 3071.5736 0.0000 0.0000 52140.0339 -109107.7169 299.6495 -161247.7507 -108747.3462 299.9444 127.3285 156.0477 763132.7221 11.3251 11.3779 PRESSURE: 3947400 -414.443 11.7138 -148.183 11.7135 -303.309 32.044 -148.183 32.0434 -39.581 GPRESSURE: 3947400 -360.698 52.7995 -112.816 -20.2107 -249.72 21.4499 -221.194 151.708 -58.8512 PRESSAVG: 3947400 20.318 9.90755 -14.1027 9.90757 -1.06689 -7.7605 -14.1026 -7.76053 0.906408 GPRESSAVG: 3947400 19.2442 14.1601 -14.4059 11.6789 0.203394 -7.0246 -12.5731 -8.356 0.37954 TIMING: 3947400 CPU: 12331.5, 0.00313483/step Wall: 12331.5, 0.00313483/step, 0.916591 hours remaining, 234.667969 MB of memory in use. ENERGY: 3947400 3981.5474 20743.8571 14502.2656 258.3844 -203560.4497 2468.4245 0.0000 0.0000 52401.6377 -109204.3330 301.1529 -161605.9708 -108837.7582 299.9905 -252.4444 -223.0897 762108.7094 6.7192 6.6091 PRESSURE: 3947600 173.943 -91.2274 25.3425 -91.2272 -53.8012 257.802 25.3425 257.802 163.136 GPRESSURE: 3947600 146.216 -226.487 58.0588 -39.6851 62.0453 294.271 -60.8831 290.676 152.01 PRESSAVG: 3947600 -37.8937 -27.3513 -1.13833 -27.3513 41.6055 12.5949 -1.13833 12.5949 8.41841 GPRESSAVG: 3947600 -37.0564 -30.2658 -1.1997 -26.3174 41.0972 12.9622 -2.53922 12.1622 8.14511 TIMING: 3947600 CPU: 12332.1, 0.00313446/step Wall: 12332.1, 0.00313446/step, 0.916306 hours remaining, 234.667969 MB of memory in use. ENERGY: 3947600 3981.9464 20653.2348 14466.0109 248.7177 -203582.0904 2903.2886 0.0000 0.0000 52004.2642 -109324.6278 298.8692 -161328.8920 -108952.9977 299.8022 94.4259 120.0906 763033.5762 4.0434 4.0620 PRESSURE: 3947800 234.426 4.54197 145.905 4.54117 7.1751 -84.6736 145.905 -84.6737 81.526 GPRESSURE: 3947800 201.301 26.3998 109.941 -72.8714 147.462 -78.8159 105.76 69.3265 76.399 PRESSAVG: 3947800 -60.3829 -36.5094 43.8932 -36.5095 64.6042 24.5413 43.8931 24.5413 -3.60825 GPRESSAVG: 3947800 -61.8916 -35.766 44.1721 -38.3533 66.1046 22.731 45.1555 27.9674 -3.19444 TIMING: 3947800 CPU: 12332.8, 0.00313888/step Wall: 12332.8, 0.00313888/step, 0.917424 hours remaining, 234.667969 MB of memory in use. ENERGY: 3947800 3982.8539 20690.7903 14341.7199 231.0758 -203315.9528 2666.4835 0.0000 0.0000 52034.6586 -109368.3710 299.0439 -161403.0296 -109005.1945 299.0252 107.7092 141.7209 761004.3497 0.2043 0.3395 PRESSURE: 3948000 104.553 81.9559 -108.635 81.9556 -243.982 33.6556 -108.635 33.6561 -731.179 GPRESSURE: 3948000 103.746 2.73369 -106.07 131.16 -191.612 52.6167 27.4031 -27.3007 -690.675 PRESSAVG: 3948000 -7.55 37.2603 -1.9363 37.2604 7.68906 -22.1351 -1.93631 -22.1351 -8.02701 GPRESSAVG: 3948000 -7.02479 34.9702 -0.696185 36.9477 6.76942 -19.9646 -2.41558 -23.4826 -7.84568 TIMING: 3948000 CPU: 12333.4, 0.00311968/step Wall: 12333.4, 0.00311968/step, 0.911639 hours remaining, 234.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3948000 4029.4793 20592.3338 14459.0962 233.3844 -203283.7291 2488.6191 0.0000 0.0000 52071.3805 -109409.4358 299.2549 -161480.8163 -109047.1481 298.9411 -290.2024 -259.5134 762956.8763 -2.6293 -2.7004 PRESSURE: 3948200 307.112 -214.135 -85.1064 -214.135 72.875 -44.5883 -85.1065 -44.588 286.311 GPRESSURE: 3948200 375.333 -78.7322 -35.7714 -270.735 54.6854 -20.5396 -30.647 -130.161 310.734 PRESSAVG: 3948200 5.95182 45.2032 -34.4395 45.2031 19.3024 -24.9761 -34.4394 -24.9762 3.05597 GPRESSAVG: 3948200 7.40787 46.0781 -34.9132 47.7229 19.5177 -26.567 -33.9015 -25.567 1.51838 TIMING: 3948200 CPU: 12334, 0.00311159/step Wall: 12334, 0.00311159/step, 0.909103 hours remaining, 234.667969 MB of memory in use. ENERGY: 3948200 3924.2102 20591.1937 14522.4925 247.4115 -203741.1747 2805.4199 0.0000 0.0000 52116.5961 -109533.8509 299.5148 -161650.4470 -109157.2626 298.7822 222.0992 246.9175 760039.6342 9.4367 9.4813 LDB: ============= START OF LOAD BALANCING ============== 12346.5 LDB: ============== END OF LOAD BALANCING =============== 12346.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12346.5 LDB: ============= START OF LOAD BALANCING ============== 12346.8 LDB: Largest compute 7003 load 0.027179 is 13.9% of average load 0.195361 LDB: Average compute 0.004379 is 2.2% of average load 0.195361 LDB: TIME 12346.8 LOAD: AVG 0.195361 MAX 0.21717 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.262 MB LDB: TIME 12346.8 LOAD: AVG 0.195361 MAX 0.21717 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.355 MB LDB: TIME 12346.8 LOAD: AVG 0.195361 MAX 0.21717 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.355 MB LDB: ============== END OF LOAD BALANCING =============== 12346.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12346.8 PRESSURE: 3948400 -19.191 323.133 -25.8921 323.133 -80.1306 -1.82346 -25.8921 -1.8222 232.519 GPRESSURE: 3948400 29.8873 295.234 -77.5846 175.431 -38.2752 9.04473 81.9169 122.554 250.274 PRESSAVG: 3948400 -14.5981 43.2472 -9.14033 43.2472 9.98307 2.36247 -9.14032 2.3624 -6.90462 GPRESSAVG: 3948400 -14.9056 44.033 -8.31881 40.5303 9.28048 3.05973 -8.67015 2.14766 -5.56576 TIMING: 3948400 CPU: 12334.6, 0.00318004/step Wall: 12334.6, 0.00318004/step, 0.928926 hours remaining, 235.800781 MB of memory in use. ENERGY: 3948400 3977.8548 20813.9354 14453.7268 242.1493 -203730.3788 2716.5982 0.0000 0.0000 52198.0366 -109328.0777 299.9828 -161526.1142 -108977.5156 298.9158 44.3993 80.6286 762195.5224 -3.8399 -3.7303 PRESSURE: 3948600 -340.668 -174.004 -170.139 -174.004 -313.545 116.602 -170.139 116.601 382.587 GPRESSURE: 3948600 -400.885 -174.795 -177.64 -60.1103 -159.821 85.7777 -97.1033 72.7615 382.639 PRESSAVG: 3948600 -10.4951 51.6439 -5.68455 51.6439 12.4395 0.0532192 -5.68461 0.053249 18.6203 GPRESSAVG: 3948600 -11.1852 53.9683 -6.76784 53.3441 13.8198 -0.0108919 -5.98885 -1.40576 17.9286 TIMING: 3948600 CPU: 12335.3, 0.00311376/step Wall: 12335.3, 0.00311377/step, 0.909392 hours remaining, 236.003906 MB of memory in use. ENERGY: 3948600 3940.2506 20635.7256 14406.5149 226.4340 -203337.7366 2548.3662 0.0000 0.0000 52195.9130 -109384.5322 299.9706 -161580.4452 -109018.4210 299.6566 -90.5420 -59.3554 762034.3017 6.8549 6.8544 PRESSURE: 3948800 -6.97279 -272.223 213.81 -272.222 -150.653 50.9465 213.809 50.9458 -91.1181 GPRESSURE: 3948800 2.27493 -195.826 233.758 -206.065 -119.296 61.3352 190.996 114.691 -58.6228 PRESSAVG: 3948800 -13.7779 40.4322 -24.8509 40.4322 54.1887 -69.3521 -24.8509 -69.3521 17.1161 GPRESSAVG: 3948800 -11.3534 38.2934 -26.5626 40.1149 51.5625 -68.5359 -24.1178 -66.9144 17.191 TIMING: 3948800 CPU: 12335.9, 0.0031192/step Wall: 12335.9, 0.0031192/step, 0.910807 hours remaining, 236.125000 MB of memory in use. ENERGY: 3948800 3986.6323 20830.0797 14417.2191 244.0178 -203636.7990 2656.0452 0.0000 0.0000 52147.2839 -109355.5210 299.6912 -161502.8049 -108988.8092 298.9187 -82.9145 -58.5479 762064.9246 19.1757 19.1333 PRESSURE: 3949000 -135.512 -112.161 -38.6425 -112.162 -99.0238 233.596 -38.6416 233.596 -88.307 GPRESSURE: 3949000 -125.666 -161.789 -15.8424 -187.524 -1.73297 155.224 25.9269 142.481 -92.0115 PRESSAVG: 3949000 26.4305 45.3009 23.8524 45.3009 24.0959 -53.8388 23.8524 -53.8388 -23.2324 GPRESSAVG: 3949000 24.3615 45.8083 24.7278 43.4372 26.1389 -54.7948 22.6044 -53.0334 -23.4658 TIMING: 3949000 CPU: 12336.5, 0.00312813/step Wall: 12336.5, 0.00312813/step, 0.913241 hours remaining, 236.265625 MB of memory in use. ENERGY: 3949000 3971.5396 20731.8100 14505.1330 254.3700 -203428.9223 2667.4097 0.0000 0.0000 52007.2518 -109291.4081 298.8864 -161298.6600 -108934.7919 299.0169 -107.6142 -73.1367 761311.1585 9.0980 9.0115 PRESSURE: 3949200 -17.7151 248.602 76.4489 248.603 34.1537 -11.7264 76.448 -11.7264 265.869 GPRESSURE: 3949200 93.2355 325.086 11.2014 291.698 30.1272 -37.6475 24.4781 -131.268 229.833 PRESSAVG: 3949200 -36.1925 -17.259 -31.7055 -17.259 -4.91741 -43.2362 -31.7054 -43.2362 -8.0376 GPRESSAVG: 3949200 -36.0652 -17.7716 -31.709 -13.9771 -4.90438 -43.7339 -32.9112 -44.5522 -7.94094 TIMING: 3949200 CPU: 12337.1, 0.00313567/step Wall: 12337.1, 0.00313568/step, 0.915269 hours remaining, 236.265625 MB of memory in use. ENERGY: 3949200 3965.5926 20714.1553 14521.3979 252.2192 -203167.7731 2495.0622 0.0000 0.0000 51715.1431 -109504.2028 297.2076 -161219.3459 -109147.9286 298.8209 94.1025 117.7318 761326.8797 -16.3825 -16.3035 PRESSURE: 3949400 -258.71 170.23 -145.585 170.23 182.366 36.6083 -145.584 36.609 178.283 GPRESSURE: 3949400 -241.002 109.798 -122.753 96.2244 259.157 26.0336 -35.5809 -44.2853 177.606 PRESSAVG: 3949400 -72.9623 29.7766 -25.9639 29.7766 72.7418 -49.5556 -25.9638 -49.5556 7.38617 GPRESSAVG: 3949400 -74.0977 31.7246 -25.5372 26.7241 73.4096 -47.539 -25.6007 -51.9018 7.08769 TIMING: 3949400 CPU: 12337.8, 0.00313223/step Wall: 12337.8, 0.00313223/step, 0.914089 hours remaining, 236.265625 MB of memory in use. ENERGY: 3949400 3957.3171 20659.2037 14497.6217 254.2976 -203038.0620 2237.5832 0.0000 0.0000 51832.7844 -109599.2544 297.8837 -161432.0387 -109242.1150 298.7902 33.9795 65.2535 761817.0109 2.3886 2.1332 PRESSURE: 3949600 -167.262 -120.965 -167.14 -120.965 18.5108 39.6135 -167.139 39.6143 217.054 GPRESSURE: 3949600 -138.991 -84.6579 -171.49 -181.265 42.8195 125.731 -142.457 -76.7275 258.123 PRESSAVG: 3949600 -15.6514 57.9563 -17.3166 57.9562 23.602 1.88801 -17.3167 1.88803 -18.117 GPRESSAVG: 3949600 -15.0233 57.3759 -17.4401 60.7792 21.2909 0.763244 -15.5914 4.31738 -16.9042 TIMING: 3949600 CPU: 12338.4, 0.00312081/step Wall: 12338.4, 0.00312081/step, 0.910584 hours remaining, 236.265625 MB of memory in use. ENERGY: 3949600 3933.6019 20658.0915 14409.0124 229.1228 -203330.4775 2334.4345 0.0000 0.0000 52020.3492 -109745.8652 298.9617 -161766.2144 -109376.1721 298.2694 22.7678 53.9839 761226.6925 -3.3888 -3.5455 PRESSURE: 3949800 156.293 121.395 -57.5944 121.393 -185.032 158.719 -57.5941 158.718 186.428 GPRESSURE: 3949800 212.718 47.2162 -155.204 179.965 -141.596 146.129 -31.9565 175.933 171.822 PRESSAVG: 3949800 -25.3268 6.56069 0.656616 6.56073 11.8842 -47.6004 0.656697 -47.6004 -13.8177 GPRESSAVG: 3949800 -25.8344 5.39219 -0.62456 4.67939 12.6421 -48.1674 0.647577 -48.0613 -14.316 TIMING: 3949800 CPU: 12339, 0.00311781/step Wall: 12339, 0.00311781/step, 0.909534 hours remaining, 236.265625 MB of memory in use. ENERGY: 3949800 3995.5441 20598.2045 14496.4185 243.5636 -203770.1712 2901.9631 0.0000 0.0000 51837.1473 -109697.3301 297.9088 -161534.4774 -109332.5504 298.3199 52.5628 80.9813 760467.5540 -9.0867 -9.1695 PRESSURE: 3950000 -69.0339 -104.856 133.971 -104.855 58.7232 103.812 133.971 103.811 344.082 GPRESSURE: 3950000 -26.6522 -181.711 194.393 -77.8403 42.9443 83.843 103.728 131.095 383.861 PRESSAVG: 3950000 -21.5203 -44.4341 27.9482 -44.4342 21.5362 12.455 27.9482 12.455 -13.1733 GPRESSAVG: 3950000 -21.6046 -44.6064 27.5877 -43.8771 21.4617 12.885 28.0723 14.1571 -13.1301 TIMING: 3950000 CPU: 12339.6, 0.00309798/step Wall: 12339.6, 0.00309798/step, 0.903578 hours remaining, 236.265625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3950000 4078.9268 20728.1781 14400.2906 233.9890 -203672.9472 2860.0732 0.0000 0.0000 51912.6223 -109458.8674 298.3426 -161371.4896 -109092.0247 298.5041 111.2571 133.3843 760533.1670 -4.3858 -4.4243 PRESSURE: 3950200 -82.6086 86.4371 -103.409 86.4367 50.8197 -377.706 -103.409 -377.707 -27.9039 GPRESSURE: 3950200 -11.545 136.92 -135.818 81.9464 20.1846 -412.033 -109.956 -271.114 26.8202 PRESSAVG: 3950200 101.376 -8.26491 -48.3645 -8.26485 -57.4876 -11.3373 -48.3645 -11.3374 -18.1572 GPRESSAVG: 3950200 102.753 -6.60707 -48.125 -9.3481 -58.1714 -11.366 -49.9223 -12.4952 -18.6805 TIMING: 3950200 CPU: 12340.3, 0.00314201/step Wall: 12340.3, 0.00314201/step, 0.916244 hours remaining, 236.265625 MB of memory in use. ENERGY: 3950200 4013.4831 20570.4160 14354.2474 252.9048 -203527.0196 2704.4723 0.0000 0.0000 52238.2182 -109393.2778 300.2138 -161631.4960 -109022.6265 298.9296 -19.8976 11.8199 759118.4029 8.5770 8.6339 PRESSURE: 3950400 107.826 -23.665 335.189 -23.6663 -176.556 -90.6456 335.189 -90.645 282.609 GPRESSURE: 3950400 150.85 -129.56 359.45 -82.2044 -98.5229 -54.5262 236.81 -51.2916 256.385 PRESSAVG: 3950400 54.9733 -1.79077 -14.9494 -1.79076 -48.7346 -35.9522 -14.9494 -35.9523 -3.54435 GPRESSAVG: 3950400 54.4658 -3.16591 -12.1101 0.504277 -47.7516 -36.1404 -14.5787 -36.9578 -3.72499 TIMING: 3950400 CPU: 12340.9, 0.00310912/step Wall: 12340.9, 0.00310912/step, 0.906482 hours remaining, 236.265625 MB of memory in use. ENERGY: 3950400 3991.8632 20653.9444 14439.7209 267.1937 -203595.7779 2774.0951 0.0000 0.0000 51918.5334 -109550.4272 298.3765 -161468.9606 -109191.1551 298.5660 71.2929 102.9039 761743.3996 0.8981 0.9964 PRESSURE: 3950600 278.271 94.7158 159.828 94.716 139.2 -92.6886 159.828 -92.6872 133.399 GPRESSURE: 3950600 209.748 167.775 69.0373 -50.1369 205.418 -175.982 192.056 -5.34209 202.222 PRESSAVG: 3950600 5.06181 7.74781 36.3674 7.74779 1.2919 -61.8218 36.3675 -61.8218 -1.06644 GPRESSAVG: 3950600 4.75105 8.75277 31.333 5.82409 -0.384449 -61.3863 37.9492 -61.7613 0.128091 TIMING: 3950600 CPU: 12341.5, 0.0031205/step Wall: 12341.5, 0.0031205/step, 0.909626 hours remaining, 236.265625 MB of memory in use. ENERGY: 3950600 3929.2653 20629.7305 14510.4269 253.6036 -203367.6094 2710.0255 0.0000 0.0000 51745.2666 -109589.2910 297.3808 -161334.5577 -109231.8982 298.8527 183.6233 205.7962 760462.6636 1.7624 1.4982 PRESSURE: 3950800 -264.986 -62.9811 -71.138 -62.9811 -448.69 -58.8989 -71.1376 -58.8986 -260.795 GPRESSURE: 3950800 -327.23 -59.4933 -86.5686 -16.6263 -310.799 -97.0712 -58.9178 -178.182 -240.445 PRESSAVG: 3950800 -7.35196 -17.8859 -48.1476 -17.8859 -46.1379 -46.0752 -48.1475 -46.0752 9.5638 GPRESSAVG: 3950800 -6.81075 -18.6536 -44.9196 -15.9868 -45.6655 -46.1346 -48.296 -46.2208 9.03033 TIMING: 3950800 CPU: 12342.1, 0.00311266/step Wall: 12342.1, 0.00311266/step, 0.907168 hours remaining, 236.265625 MB of memory in use. ENERGY: 3950800 4028.8602 20593.9987 14458.0073 236.5134 -203276.1387 2490.3554 0.0000 0.0000 51945.9767 -109522.4269 298.5342 -161468.4036 -109168.3808 298.5170 -324.8239 -292.8247 761607.8519 -14.6420 -14.4820 PRESSURE: 3951000 8.38065 -92.7583 -200.221 -92.7578 46.596 -102.413 -200.221 -102.412 -160.278 GPRESSURE: 3951000 19.957 -30.8513 -196.176 -48.8124 -8.29143 -102.838 -60.5501 -103.873 -38.1691 PRESSAVG: 3951000 -17.4346 10.396 -38.6586 10.396 -1.46342 -61.3879 -38.6586 -61.3879 -12.451 GPRESSAVG: 3951000 -17.8453 11.1436 -40.4264 9.64203 -1.42174 -61.6167 -37.8425 -61.4724 -12.7651 TIMING: 3951000 CPU: 12342.7, 0.00311921/step Wall: 12342.7, 0.00311921/step, 0.908902 hours remaining, 236.265625 MB of memory in use. ENERGY: 3951000 3873.1658 20586.1337 14559.6916 213.0535 -203333.0573 2800.7271 0.0000 0.0000 52068.3667 -109231.9190 299.2376 -161300.2856 -108856.8216 298.7785 -35.1004 -8.8345 761118.3515 -10.4497 -10.6774 PRESSURE: 3951200 -234.724 36.1483 -49.8389 36.1486 -222.803 -43.5875 -49.8387 -43.586 123.408 GPRESSURE: 3951200 -115.04 52.5069 30.1747 104.635 -239.263 -50.6005 -50.6579 -109.248 90.8594 PRESSAVG: 3951200 9.20111 -5.48569 45.6661 -5.4857 -28.3257 -50.5231 45.6661 -50.5231 8.76287 GPRESSAVG: 3951200 10.9488 -5.49052 46.6129 -6.11152 -28.951 -49.5637 44.1122 -49.7581 7.17568 TIMING: 3951200 CPU: 12343.4, 0.00311554/step Wall: 12343.4, 0.00311554/step, 0.907662 hours remaining, 236.265625 MB of memory in use. ENERGY: 3951200 3964.7807 20720.9024 14518.1712 242.9866 -202939.3735 2287.9851 0.0000 0.0000 52048.5115 -109156.0360 299.1235 -161204.5475 -108795.4495 299.9098 -111.3730 -87.8146 761076.2646 -3.4539 -3.6088 PRESSURE: 3951400 -99.8075 -49.7334 -52.4908 -49.734 74.2094 43.1087 -52.4915 43.1095 -306.77 GPRESSURE: 3951400 -65.5561 -58.5227 -27.5399 -94.7923 79.9084 2.36085 -121.664 30.2111 -251.691 PRESSAVG: 3951400 11.1582 27.7203 18.5214 27.7204 22.692 -64.5696 18.5214 -64.5697 10.3673 GPRESSAVG: 3951400 9.94524 28.1621 20.1285 27.6949 23.8076 -66.425 19.4721 -65.5318 11.0044 TIMING: 3951400 CPU: 12344, 0.00310005/step Wall: 12344, 0.00310005/step, 0.902976 hours remaining, 236.265625 MB of memory in use. ENERGY: 3951400 4094.4083 20583.7459 14552.5784 251.3035 -203410.6692 2746.0219 0.0000 0.0000 51908.7107 -109273.9005 298.3201 -161182.6112 -108913.4506 299.4169 -110.7895 -79.1127 762657.6451 14.7392 14.9191 PRESSURE: 3951600 138.729 194.043 -27.6917 194.042 -300.689 -132.571 -27.692 -132.571 -123.957 GPRESSURE: 3951600 119.144 186.217 22.5676 200.528 -222.218 -86.2098 -43.2038 -140.087 -72.7533 PRESSAVG: 3951600 61.4216 39.8068 39.9226 39.8068 -11.6551 -10.221 39.9226 -10.2209 -18.5331 GPRESSAVG: 3951600 60.1337 39.8149 38.9055 39.2254 -11.2437 -9.55535 39.1517 -7.73601 -17.156 TIMING: 3951600 CPU: 12344.6, 0.00311316/step Wall: 12344.6, 0.00311316/step, 0.906622 hours remaining, 236.265625 MB of memory in use. ENERGY: 3951600 4000.5435 20578.7303 14429.3206 237.2759 -203179.4471 2566.5849 0.0000 0.0000 51892.5154 -109474.4766 298.2270 -161366.9920 -109115.0109 298.7995 -95.3057 -58.6090 762399.4454 10.4111 10.5780 PRESSURE: 3951800 10.5683 54.544 -104.489 54.5437 72.9554 -305.41 -104.489 -305.409 -170.305 GPRESSURE: 3951800 29.3386 -49.5451 -75.8567 91.9877 54.1287 -176.029 -112.768 -214.192 -106.572 PRESSAVG: 3951800 42.7214 9.62789 18.5573 9.62795 -16.2354 -44.0899 18.5573 -44.0899 -5.03374 GPRESSAVG: 3951800 42.0084 9.06513 19.2741 11.7137 -16.4111 -44.8937 18.2912 -46.3717 -4.28995 TIMING: 3951800 CPU: 12345.2, 0.00311676/step Wall: 12345.2, 0.00311676/step, 0.907496 hours remaining, 236.265625 MB of memory in use. ENERGY: 3951800 3973.5615 20617.9618 14513.5776 252.0760 -203524.7223 2846.9753 0.0000 0.0000 52060.8036 -109259.7663 299.1942 -161320.5700 -108899.3529 298.9885 -28.9272 -7.7016 763591.2836 7.1508 7.1024 PRESSURE: 3952000 -94.7612 12.6042 -266.689 12.6033 -123.789 -94.1826 -266.69 -94.1831 -8.26489 GPRESSURE: 3952000 -61.5283 40.2476 -325.853 -29.2255 -79.9683 24.2607 -306.023 -102.771 -0.845973 PRESSAVG: 3952000 -0.365328 -17.7907 24.264 -17.7908 -0.824747 -36.7158 24.264 -36.7159 15.3635 GPRESSAVG: 3952000 1.31361 -15.4939 23.9322 -18.0989 -1.79593 -37.5378 24.8087 -35.2518 15.0029 TIMING: 3952000 CPU: 12345.9, 0.00309252/step Wall: 12345.9, 0.00309252/step, 0.900267 hours remaining, 236.265625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3952000 3989.1235 20523.1723 14454.9174 250.1292 -203310.6549 2721.5946 0.0000 0.0000 51965.4169 -109406.3010 298.6460 -161371.7179 -109045.8836 298.9455 -75.6051 -47.4475 763616.5560 4.7245 4.8402 PRESSURE: 3952200 -66.122 -81.2705 214.375 -81.2706 -248.163 -37.0512 214.375 -37.0499 -13.1416 GPRESSURE: 3952200 -35.4516 -141.862 117.654 -36.0278 -191.618 -41.0056 265.611 2.25162 -9.74849 PRESSAVG: 3952200 -16.7095 -18.0341 16.3846 -18.034 24.2811 -21.8192 16.3846 -21.8192 -17.4196 GPRESSAVG: 3952200 -16.9789 -18.029 15.0049 -18.8533 24.7692 -20.9869 17.5216 -21.0316 -17.8777 TIMING: 3952200 CPU: 12346.5, 0.00310662/step Wall: 12346.5, 0.00310662/step, 0.904198 hours remaining, 236.265625 MB of memory in use. ENERGY: 3952200 4024.5327 20551.0306 14437.5385 222.1314 -203406.3420 2665.4926 0.0000 0.0000 51892.2057 -109613.4106 298.2252 -161505.6162 -109250.0096 298.2736 -109.1423 -78.9393 762053.7970 -3.2827 -3.3625 LDB: ============= START OF LOAD BALANCING ============== 12359 LDB: ============== END OF LOAD BALANCING =============== 12359 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12359 LDB: ============= START OF LOAD BALANCING ============== 12359.3 LDB: Largest compute 6981 load 0.027757 is 14.2% of average load 0.195299 LDB: Average compute 0.004387 is 2.2% of average load 0.195299 LDB: TIME 12359.3 LOAD: AVG 0.195299 MAX 0.216058 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.078 MB LDB: TIME 12359.3 LOAD: AVG 0.195299 MAX 0.216058 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.082 MB LDB: TIME 12359.3 LOAD: AVG 0.195299 MAX 0.216058 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.082 MB LDB: ============== END OF LOAD BALANCING =============== 12359.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12359.3 PRESSURE: 3952400 58.1983 93.9787 -217.957 93.9788 266.587 94.7389 -217.958 94.7392 -28.3743 GPRESSURE: 3952400 137.907 126.233 -227.219 144.698 264.793 80.7338 -181.441 55.5317 -31.5045 PRESSAVG: 3952400 -24.8485 -24.9678 11.4473 -24.9678 25.9111 -41.238 11.4474 -41.238 20.0747 GPRESSAVG: 3952400 -25.286 -28.0085 12.4268 -22.711 25.9683 -41.2664 11.9874 -40.6323 20.2672 TIMING: 3952400 CPU: 12347.1, 0.00316728/step Wall: 12347.1, 0.00316728/step, 0.921678 hours remaining, 234.519531 MB of memory in use. ENERGY: 3952400 3984.5079 20464.7401 14454.7387 277.1639 -203919.0236 3007.2522 0.0000 0.0000 52185.8840 -109544.7369 299.9130 -161730.6208 -109181.0054 298.9232 98.8035 123.7320 761569.7338 7.0458 6.9832 PRESSURE: 3952600 203.933 164.527 320.383 164.527 143.179 152.832 320.383 152.832 -79.1856 GPRESSURE: 3952600 340.736 150.864 365.254 256.151 86.0412 112.45 149.279 187.663 -79.5429 PRESSAVG: 3952600 -12.0058 17.7267 24.3654 17.7267 15.4022 -5.75618 24.3653 -5.75623 -6.07062 GPRESSAVG: 3952600 -11.8388 20.1884 24.0195 14.8302 16.2992 -3.97908 23.7532 -7.36313 -7.46048 TIMING: 3952600 CPU: 12347.7, 0.00311309/step Wall: 12347.7, 0.00311309/step, 0.905737 hours remaining, 234.781250 MB of memory in use. ENERGY: 3952600 3990.3687 20582.7855 14463.6784 243.3265 -203464.6112 2607.1826 0.0000 0.0000 52205.0043 -109372.2651 300.0229 -161577.2694 -109000.0082 298.8062 89.3089 115.7446 762136.9222 -0.8914 -1.0000 PRESSURE: 3952800 64.1625 167.658 4.23778 167.659 -161.42 -210.917 4.23687 -210.916 192.76 GPRESSURE: 3952800 77.7203 134.833 -59.6072 229.115 -133.907 -279.34 61.4499 -211.666 248.351 PRESSAVG: 3952800 -5.87957 14.7825 -46.044 14.7826 26.5851 -32.3231 -46.044 -32.3231 -7.34438 GPRESSAVG: 3952800 -5.91498 15.3139 -45.7536 16.1559 24.1767 -34.4629 -45.3468 -31.0088 -5.20115 TIMING: 3952800 CPU: 12348.4, 0.00311085/step Wall: 12348.4, 0.00311085/step, 0.904912 hours remaining, 234.792969 MB of memory in use. ENERGY: 3952800 3977.6744 20614.4958 14462.6173 233.4348 -203162.7980 2778.3572 0.0000 0.0000 51859.1575 -109237.0610 298.0353 -161096.2185 -108878.3398 298.5365 31.8342 64.0548 762597.4597 4.4537 4.3535 PRESSURE: 3953000 -477.662 232.941 -33.6025 232.941 -160.047 36.0412 -33.6016 36.0415 -32.7722 GPRESSURE: 3953000 -348.367 205.14 -56.4486 202.628 -203.174 103.352 -41.048 86.3475 -49.5932 PRESSAVG: 3953000 -8.30365 -10.3247 -10.1518 -10.3247 -8.50694 -54.1932 -10.1518 -54.1932 -3.44369 GPRESSAVG: 3953000 -7.99357 -12.271 -10.112 -9.33865 -8.04271 -52.7102 -10.3577 -56.0701 -4.04972 TIMING: 3953000 CPU: 12349, 0.00309879/step Wall: 12349, 0.00309879/step, 0.901232 hours remaining, 234.769531 MB of memory in use. ENERGY: 3953000 4034.6651 20745.4958 14462.3013 246.0491 -203080.2166 2409.1936 0.0000 0.0000 51944.5548 -109237.9569 298.5261 -161182.5117 -108871.9347 299.6140 -223.4936 -200.3781 762355.2784 -6.7514 -6.6953 PRESSURE: 3953200 -66.1355 -205.659 -22.7481 -205.659 -254.544 -5.54533 -22.7475 -5.54543 204.492 GPRESSURE: 3953200 37.6748 -138.007 68.8115 -97.9928 -200.866 -53.5646 -36.4266 -71.5876 120.497 PRESSAVG: 3953200 24.3054 -11.5087 1.14705 -11.5087 -14.1973 -14.4428 1.14699 -14.4428 18.1451 GPRESSAVG: 3953200 23.7359 -9.5419 -0.498346 -11.3379 -14.1138 -13.4665 1.82973 -14.5579 18.7247 TIMING: 3953200 CPU: 12349.6, 0.00311099/step Wall: 12349.6, 0.00311099/step, 0.904607 hours remaining, 234.792969 MB of memory in use. ENERGY: 3953200 4048.3933 20513.6903 14514.1897 242.6739 -203515.6721 2595.8131 0.0000 0.0000 52377.4791 -109223.4326 301.0141 -161600.9117 -108858.0139 299.5081 -38.7292 -14.2313 762879.0186 9.4177 9.4489 PRESSURE: 3953400 44.7315 -48.141 194.279 -48.1417 178.449 52.7641 194.279 52.7646 21.2194 GPRESSURE: 3953400 84.9958 -82.4929 109.298 -17.8198 167.955 68.3226 123.682 33.292 77.2966 PRESSAVG: 3953400 20.7898 -8.50074 21.3467 -8.50068 41.3121 -9.38826 21.3467 -9.38831 13.5946 GPRESSAVG: 3953400 20.4664 -11.4598 22.7219 -8.63717 42.3945 -9.85887 19.6049 -9.28129 12.6427 TIMING: 3953400 CPU: 12350.2, 0.00311096/step Wall: 12350.2, 0.00311096/step, 0.904425 hours remaining, 234.792969 MB of memory in use. ENERGY: 3953400 4002.9897 20424.2197 14520.8009 238.7175 -203591.6726 2764.9510 0.0000 0.0000 52112.6052 -109527.3886 299.4919 -161639.9938 -109158.1407 298.8237 81.4666 110.0824 763189.4686 25.2321 25.1679 PRESSURE: 3953600 -39.0346 85.4874 -20.3729 85.4863 -290.757 99.4503 -20.3724 99.4521 385.669 GPRESSURE: 3953600 88.5485 136.372 -21.1165 88.6234 -314.716 72.3623 -100.975 9.50312 353.435 PRESSAVG: 3953600 26.6817 -26.9132 -30.3077 -26.9132 1.97073 -34.5181 -30.3078 -34.5182 -10.1571 GPRESSAVG: 3953600 25.4128 -25.2041 -29.9826 -25.3456 1.97601 -35.1472 -31.0457 -33.7396 -9.06325 TIMING: 3953600 CPU: 12350.8, 0.00310656/step Wall: 12350.8, 0.00310656/step, 0.902973 hours remaining, 234.792969 MB of memory in use. ENERGY: 3953600 3982.6274 20672.3449 14439.5335 244.1909 -203447.5211 2797.5722 0.0000 0.0000 52006.2957 -109304.9564 298.8809 -161311.2522 -108951.7571 299.4093 18.6259 42.4224 762931.4153 6.1651 6.1085 PRESSURE: 3953800 29.049 42.3113 -29.8393 42.3108 -116.469 -76.3924 -29.8405 -76.3919 -89.5489 GPRESSURE: 3953800 -19.9861 155.029 11.9512 -187.362 -97.9648 -36.1446 -94.4631 -5.89187 -1.55494 PRESSAVG: 3953800 -21.4016 15.1925 2.61545 15.1925 -6.92299 -39.131 2.61549 -39.1309 21.8179 GPRESSAVG: 3953800 -20.9138 16.8256 2.68773 12.6486 -7.70827 -38.4845 2.49913 -39.8299 21.7523 TIMING: 3953800 CPU: 12351.5, 0.0031247/step Wall: 12351.5, 0.0031247/step, 0.908074 hours remaining, 234.792969 MB of memory in use. ENERGY: 3953800 4014.0560 20712.0061 14506.9172 254.6919 -203758.2264 2871.6607 0.0000 0.0000 52033.4080 -109365.4865 299.0367 -161398.8945 -109005.3379 299.3241 -58.9898 -39.8353 762979.7092 -2.1689 -2.2899 PRESSURE: 3954000 -174.839 15.642 -4.27554 15.6423 -243.686 -184.01 -4.27544 -184.01 1.87505 GPRESSURE: 3954000 -123.369 -28.4634 -31.2944 8.8607 -232.572 -159.536 27.8036 -260.047 6.73361 PRESSAVG: 3954000 11.8808 -13.4796 -27.0582 -13.4796 -50.9011 2.17982 -27.0582 2.17982 6.23934 GPRESSAVG: 3954000 12.4277 -15.3437 -27.3582 -13.0993 -49.849 3.51706 -24.8538 2.48364 5.43594 TIMING: 3954000 CPU: 12352.1, 0.00314156/step Wall: 12352.1, 0.00314156/step, 0.912798 hours remaining, 234.792969 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: 3954000 4027.2794 20474.7896 14468.4476 249.9349 -203022.5752 2483.7575 0.0000 0.0000 51782.9953 -109535.3710 297.5976 -161318.3663 -109169.9714 298.9474 -138.8834 -116.4025 763499.0899 -10.9270 -10.6618 PRESSURE: 3954200 -212.442 51.5905 -52.7631 51.5921 -129.355 -71.5389 -52.7634 -71.5396 85.2994 GPRESSURE: 3954200 -174.282 49.7904 -11.8151 -72.2996 -123.979 -97.4856 -36.7711 -33.7058 117.332 PRESSAVG: 3954200 19.0854 -26.0319 -17.9429 -26.0319 6.15978 -6.55632 -17.943 -6.55637 -7.65419 GPRESSAVG: 3954200 19.6813 -25.7305 -20.6862 -25.8952 5.50012 -7.38815 -19.3336 -5.24779 -7.34978 TIMING: 3954200 CPU: 12352.7, 0.00312815/step Wall: 12352.7, 0.00312815/step, 0.908729 hours remaining, 234.792969 MB of memory in use. ENERGY: 3954200 4001.9982 20578.5973 14470.9310 233.5880 -203707.2129 3013.8531 0.0000 0.0000 52038.7258 -109369.5195 299.0673 -161408.2452 -109018.1922 298.7234 -85.4991 -60.3099 762902.0545 5.8637 5.9439 PRESSURE: 3954400 -353.47 34.3184 -220.648 34.3185 187.787 -116.973 -220.648 -116.974 -151.429 GPRESSURE: 3954400 -246.917 -2.1233 -281.655 -9.88114 185.824 -128.009 -165.526 -62.8076 -166.766 PRESSAVG: 3954400 -12.5555 -47.3879 38.1943 -47.3879 47.0653 -12.7693 38.1943 -12.7693 -20.5383 GPRESSAVG: 3954400 -11.912 -49.9144 39.4011 -46.407 45.9211 -14.0005 38.3008 -13.4158 -20.2964 TIMING: 3954400 CPU: 12353.3, 0.00311331/step Wall: 12353.3, 0.00311331/step, 0.904244 hours remaining, 234.792969 MB of memory in use. ENERGY: 3954400 3883.3473 20515.3776 14444.2855 253.5627 -203361.2627 2699.5843 0.0000 0.0000 52075.0785 -109490.0268 299.2762 -161565.1053 -109130.6878 298.5263 -105.7039 -75.9530 762134.5568 4.6572 4.5709 PRESSURE: 3954600 147.978 68.073 -27.4555 68.073 22.7043 -38.6695 -27.4558 -38.6699 -81.0945 GPRESSURE: 3954600 193.379 5.92082 -10.7824 150.663 41.9931 -15.8025 51.5565 -90.5685 -53.9316 PRESSAVG: 3954600 75.5426 -15.649 -29.9425 -15.649 -141.947 6.54959 -29.9425 6.54958 34.9009 GPRESSAVG: 3954600 74.9331 -13.948 -29.7456 -16.6377 -141.745 7.82943 -29.0611 5.60526 35.4485 TIMING: 3954600 CPU: 12354, 0.00310845/step Wall: 12354, 0.00310845/step, 0.902659 hours remaining, 234.792969 MB of memory in use. ENERGY: 3954600 4065.0747 20323.1495 14459.6687 241.2687 -203182.9342 2694.8263 0.0000 0.0000 52111.5289 -109287.4173 299.4857 -161398.9462 -108927.3840 298.8419 29.8625 60.4801 764052.8073 -10.5011 -10.4546 PRESSURE: 3954800 -322.117 -80.8201 -156.957 -80.8205 -88.8142 29.6273 -156.956 29.6266 -227.65 GPRESSURE: 3954800 -274.805 -73.0878 -117.335 26.2648 -82.0132 42.6332 -201.668 97.7713 -209.609 PRESSAVG: 3954800 44.4481 -15.6894 -35.0504 -15.6894 -21.6029 -8.52203 -35.0504 -8.52199 -2.47584 GPRESSAVG: 3954800 44.0097 -14.9394 -36.0176 -14.9776 -21.8578 -8.06222 -34.921 -9.13169 -1.22112 TIMING: 3954800 CPU: 12354.6, 0.00309334/step Wall: 12354.6, 0.00309334/step, 0.898099 hours remaining, 234.792969 MB of memory in use. ENERGY: 3954800 4001.5683 20486.6274 14413.9814 257.2023 -203238.2531 2645.4291 0.0000 0.0000 52112.1704 -109321.2742 299.4894 -161433.4446 -108962.6321 299.4318 -212.8604 -188.8092 761825.3793 6.7898 6.9769 PRESSURE: 3955000 -186.94 42.536 -8.72376 42.535 -212.557 141.957 -8.72263 141.958 134.044 GPRESSURE: 3955000 -145.879 -54.6033 -23.9539 39.0457 -216.829 93.9901 -114.032 264.915 157.561 PRESSAVG: 3955000 41.3991 -11.9752 -18.2255 -11.9752 2.6125 -16.4242 -18.2256 -16.4242 30.6515 GPRESSAVG: 3955000 42.7018 -12.9734 -16.1657 -13.0344 2.57168 -18.2636 -18.3397 -15.1708 29.0112 TIMING: 3955000 CPU: 12355.2, 0.00311196/step Wall: 12355.2, 0.00311196/step, 0.903332 hours remaining, 234.792969 MB of memory in use. ENERGY: 3955000 4007.3327 20623.6940 14531.8951 254.7837 -203215.3403 2595.3684 0.0000 0.0000 51940.1886 -109262.0778 298.5010 -161202.2664 -108894.7855 299.2923 -88.4845 -68.3823 761921.2045 24.8877 24.7616 PRESSURE: 3955200 71.6981 -88.5212 -39.8879 -88.5216 -253.874 -137.406 -39.8868 -137.407 80.1547 GPRESSURE: 3955200 12.5791 -62.8092 -34.8487 -61.6756 -182.734 -147.43 -41.8879 -171.501 143.5 PRESSAVG: 3955200 11.7877 -15.4184 -22.4894 -15.4184 21.5113 -25.982 -22.4894 -25.9821 -30.8914 GPRESSAVG: 3955200 10.9626 -15.4407 -22.9296 -15.517 22.2836 -25.4591 -21.1251 -26.5114 -30.6979 TIMING: 3955200 CPU: 12355.8, 0.00309915/step Wall: 12355.8, 0.00309916/step, 0.899444 hours remaining, 234.792969 MB of memory in use. ENERGY: 3955200 3895.7863 20425.1258 14412.5200 258.7009 -202800.1947 2661.6717 0.0000 0.0000 51898.7479 -109247.6421 298.2628 -161146.3901 -108891.2129 298.7640 -34.0070 -8.8851 764430.4856 0.8025 0.8494 PRESSURE: 3955400 -350.237 52.3467 -23.5586 52.3461 -132.414 126.412 -23.5588 126.413 82.7754 GPRESSURE: 3955400 -293.044 -1.90724 -9.04972 122.394 -76.5426 192.854 -41.0692 105.989 85.2944 PRESSAVG: 3955400 14.5464 24.7001 -15.0576 24.7001 -23.1214 -17.567 -15.0576 -17.5671 -9.18211 GPRESSAVG: 3955400 14.4181 26.75 -16.0819 23.3031 -23.7335 -18.3091 -15.8489 -17.8484 -9.10402 TIMING: 3955400 CPU: 12356.4, 0.00310413/step Wall: 12356.4, 0.00310413/step, 0.900716 hours remaining, 234.781250 MB of memory in use. ENERGY: 3955400 3985.0165 20481.4203 14361.8885 251.4864 -203371.7119 2756.0477 0.0000 0.0000 52295.2244 -109240.6280 300.5414 -161535.8524 -108872.4389 298.6172 -133.2919 -94.7640 762523.1747 -5.9190 -6.1398 PRESSURE: 3955600 -256.053 125.106 -344.954 125.105 -195.259 -36.3085 -344.955 -36.3084 -625.151 GPRESSURE: 3955600 -203.435 164.97 -357.268 268.224 -219.331 -34.446 -305.46 9.58399 -567.341 PRESSAVG: 3955600 -44.5556 -5.6152 -36.0302 -5.61512 3.26557 9.34502 -36.0301 9.34499 -2.54411 GPRESSAVG: 3955600 -44.3015 -8.52844 -34.9896 -5.43366 4.09903 10.0852 -36.1827 10.3569 -3.10289 TIMING: 3955600 CPU: 12357.1, 0.00309631/step Wall: 12357.1, 0.00309631/step, 0.898274 hours remaining, 234.792969 MB of memory in use. ENERGY: 3955600 3986.7531 20631.9037 14391.0720 265.6784 -202735.4775 2398.2673 0.0000 0.0000 51933.8474 -109127.9556 298.4645 -161061.8029 -108771.5765 299.0566 -358.8209 -330.0357 762851.0904 -14.6114 -14.4351 PRESSURE: 3955800 -18.7988 121.968 -83.7023 121.968 -402.549 35.1959 -83.7034 35.195 2.97299 GPRESSURE: 3955800 40.2612 -25.5506 -174.897 171.08 -362.446 -17.904 -85.2105 61.643 -9.29271 PRESSAVG: 3955800 34.3921 20.167 -2.0577 20.1669 3.37934 7.58785 -2.05768 7.58782 -7.80544 GPRESSAVG: 3955800 35.3197 20.5456 -1.39604 21.7725 2.06817 8.72773 -2.86119 4.49901 -6.9673 TIMING: 3955800 CPU: 12357.7, 0.00310431/step Wall: 12357.7, 0.00310431/step, 0.900422 hours remaining, 234.792969 MB of memory in use. ENERGY: 3955800 4059.3961 20276.7448 14446.4631 250.1288 -202814.4710 2395.0439 0.0000 0.0000 52291.5695 -109095.1249 300.5204 -161386.6944 -108730.9064 299.2757 -139.4583 -110.4925 760695.5076 9.9887 10.1402 PRESSURE: 3956000 98.7267 -58.666 278.315 -58.6669 -276.337 103.015 278.315 103.014 275.835 GPRESSURE: 3956000 196.659 -57.1984 228.428 14.5636 -268.788 129.267 301.845 117.844 266.748 PRESSAVG: 3956000 54.9127 32.4676 19.9265 32.4675 -61.1009 37.5478 19.9265 37.5479 1.77126 GPRESSAVG: 3956000 54.6033 34.2831 20.022 32.0981 -60.0606 35.9427 18.5432 42.9692 0.962546 TIMING: 3956000 CPU: 12358.3, 0.00310156/step Wall: 12358.3, 0.00310155/step, 0.899451 hours remaining, 234.792969 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: 3956000 4046.4888 20373.7383 14445.3017 244.9287 -203257.7063 2549.0178 0.0000 0.0000 52303.8445 -109294.3865 300.5909 -161598.2310 -108938.8525 298.8231 32.7416 64.8729 761884.4245 -1.4723 -1.4982 PRESSURE: 3956200 338.017 78.1708 1.63482 78.1714 315.981 57.9388 1.63575 57.9386 134.14 GPRESSURE: 3956200 367.633 129.605 21.3368 173.621 263.418 111.441 -97.7005 -17.4184 222.288 PRESSAVG: 3956200 43.9268 9.5604 8.56845 9.56046 -56.6027 10.5023 8.56856 10.5023 2.04186 GPRESSAVG: 3956200 42.9366 7.3043 8.35381 9.94693 -57.1609 10.2572 9.25476 7.34883 3.321 TIMING: 3956200 CPU: 12358.9, 0.00310456/step Wall: 12358.9, 0.00310456/step, 0.900151 hours remaining, 234.792969 MB of memory in use. ENERGY: 3956200 3982.1336 20515.6913 14380.5004 235.2010 -203704.5366 2951.7124 0.0000 0.0000 52209.7899 -109429.5078 300.0504 -161639.2978 -109064.1570 299.0777 262.7123 284.4463 761711.7224 -3.5447 -3.6345 LDB: ============= START OF LOAD BALANCING ============== 12371.4 LDB: ============== END OF LOAD BALANCING =============== 12371.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12371.4 LDB: ============= START OF LOAD BALANCING ============== 12371.7 LDB: Largest compute 7003 load 0.029026 is 14.9% of average load 0.195389 LDB: Average compute 0.004412 is 2.3% of average load 0.195389 LDB: TIME 12371.7 LOAD: AVG 0.195389 MAX 0.214166 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.426 MB LDB: TIME 12371.7 LOAD: AVG 0.195389 MAX 0.214166 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.621 MB LDB: TIME 12371.7 LOAD: AVG 0.195389 MAX 0.214166 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.621 MB LDB: ============== END OF LOAD BALANCING =============== 12371.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12371.7 PRESSURE: 3956400 377.041 -23.6613 -74.7535 -23.6606 -20.9828 -72.9827 -74.7538 -72.9834 70.6909 GPRESSURE: 3956400 462.046 18.3237 -142.854 -3.64194 -20.5402 -21.4075 -5.0495 -21.2693 63.7947 PRESSAVG: 3956400 54.1534 3.96313 -13.8718 3.96312 1.71502 -9.67412 -13.8718 -9.67411 -6.57935 GPRESSAVG: 3956400 53.2743 4.99574 -14.7291 1.98048 2.91775 -7.66822 -11.5695 -10.2932 -6.74979 TIMING: 3956400 CPU: 12359.6, 0.00316476/step Wall: 12359.6, 0.00316476/step, 0.917428 hours remaining, 234.195312 MB of memory in use. ENERGY: 3956400 4007.0369 20384.7594 14442.2420 251.5232 -203515.1414 2950.3074 0.0000 0.0000 51934.1408 -109545.1315 298.4662 -161479.2724 -109178.5276 298.3366 142.2496 168.4335 762164.2529 16.4297 16.4807 PRESSURE: 3956600 -29.3675 171.661 -209.567 171.66 -113.072 -136.261 -209.567 -136.261 -605.977 GPRESSURE: 3956600 17.54 161.173 -119.598 159.188 -113.311 -88.3822 -75.2016 -65.1314 -569.403 PRESSAVG: 3956600 52.1602 43.1299 7.2007 43.1299 -38.1628 22.6971 7.20071 22.6971 -6.58521 GPRESSAVG: 3956600 54.7233 42.645 7.79292 44.0556 -39.6705 23.5088 6.5742 23.5882 -6.98945 TIMING: 3956600 CPU: 12360.2, 0.0031029/step Wall: 12360.2, 0.0031029/step, 0.899325 hours remaining, 234.195312 MB of memory in use. ENERGY: 3956600 4075.2083 20180.9801 14407.0446 240.8393 -203136.3358 2613.1946 0.0000 0.0000 52212.6396 -109406.4292 300.0668 -161619.0688 -109042.5531 298.3400 -249.4722 -221.7245 765154.3028 2.4707 2.6878 PRESSURE: 3956800 -80.8148 136.64 -112.655 136.641 -18.8592 52.6214 -112.655 52.6216 -199.947 GPRESSURE: 3956800 -56.2238 127.432 -92.098 53.093 -48.8019 74.8337 -71.3112 37.4903 -111.736 PRESSAVG: 3956800 25.1539 30.9243 3.43332 30.9242 31.3954 7.08729 3.4333 7.08732 0.386074 GPRESSAVG: 3956800 22.6334 33.4775 3.65162 31.1282 32.5082 5.76676 2.49737 6.31649 1.41415 TIMING: 3956800 CPU: 12360.8, 0.0031018/step Wall: 12360.8, 0.0031018/step, 0.898833 hours remaining, 234.320312 MB of memory in use. ENERGY: 3956800 3941.4609 20465.8568 14490.8636 228.9757 -203064.5693 2702.0013 0.0000 0.0000 51721.3761 -109514.0349 297.2435 -161235.4110 -109156.8076 297.9892 -99.8736 -72.2540 762451.7276 18.9785 18.8519 PRESSURE: 3957000 -111.404 -32.802 -169.762 -32.8025 -14.6349 38.0622 -169.761 38.0632 77.7757 GPRESSURE: 3957000 -12.0792 -70.7634 -139.926 46.7123 -60.2682 149.762 -143.97 -140.984 113.343 PRESSAVG: 3957000 -1.56434 11.3061 11.3918 11.3062 15.1559 0.97226 11.3918 0.972264 11.8506 GPRESSAVG: 3957000 0.15244 10.3037 9.64194 12.2687 14.9355 1.33838 10.3115 0.526515 10.8326 TIMING: 3957000 CPU: 12361.4, 0.00313072/step Wall: 12361.4, 0.00313072/step, 0.907038 hours remaining, 234.320312 MB of memory in use. ENERGY: 3957000 3936.1177 20431.3512 14460.8378 249.6893 -203141.2895 2490.1749 0.0000 0.0000 51982.4354 -109590.6833 298.7438 -161573.1187 -109235.9462 297.9740 -16.0879 13.6653 761727.5160 8.4807 8.6402 PRESSURE: 3957200 -15.2503 -6.08548 -16.6258 -6.08543 80.1308 271.062 -16.6262 271.061 71.7158 GPRESSURE: 3957200 74.2971 5.88339 -2.56397 -3.0066 96.3407 142.726 -36.846 321.229 20.7671 PRESSAVG: 3957200 -27.2998 -3.7978 35.862 -3.79785 10.5972 -13.9702 35.8621 -13.9703 -7.28943 GPRESSAVG: 3957200 -28.5202 -4.87108 37.1359 -4.76304 11.3579 -14.1814 36.8018 -13.1115 -7.09271 TIMING: 3957200 CPU: 12362.1, 0.00311794/step Wall: 12362.1, 0.00311794/step, 0.903162 hours remaining, 234.320312 MB of memory in use. ENERGY: 3957200 3956.4556 20374.9363 14496.0280 254.2431 -203490.0116 2776.8090 0.0000 0.0000 51984.3209 -109647.2186 298.7546 -161631.5396 -109285.4958 297.7467 45.5321 63.8016 764991.3372 -7.9974 -8.0850 PRESSURE: 3957400 -392.238 149.891 22.5446 149.891 -196.573 208.93 22.5454 208.93 -167.093 GPRESSURE: 3957400 -294.657 150.637 104.106 84.9129 -193.571 290.186 -75.7912 284.425 -178.163 PRESSAVG: 3957400 -31.0323 -4.3147 -14.6913 -4.31466 40.9357 -32.6419 -14.6913 -32.6419 20.6006 GPRESSAVG: 3957400 -30.5968 -2.60012 -14.8725 -4.56392 41.1011 -34.6004 -13.4094 -31.9945 19.996 TIMING: 3957400 CPU: 12362.7, 0.00312433/step Wall: 12362.7, 0.00312433/step, 0.904841 hours remaining, 234.320312 MB of memory in use. ENERGY: 3957400 4093.8859 20513.3984 14474.8995 232.0818 -203463.6323 2626.9664 0.0000 0.0000 51762.2246 -109760.1756 297.4782 -161522.4002 -109394.1665 297.9936 -251.9678 -222.1302 762719.5501 10.1680 10.1668 PRESSURE: 3957600 -42.2376 -178.61 -126.285 -178.61 -34.6202 90.4266 -126.285 90.4265 -0.407355 GPRESSURE: 3957600 -41.2597 -213.469 -151.704 -194.936 106.267 140.233 -215.515 100.566 -51.2754 PRESSAVG: 3957600 -7.68627 1.09301 19.2014 1.09305 24.428 5.33978 19.2014 5.33971 19.6182 GPRESSAVG: 3957600 -8.56302 -0.416276 18.8778 2.56728 24.5746 5.90284 18.8832 5.32985 20.3767 TIMING: 3957600 CPU: 12363.3, 0.00310757/step Wall: 12363.3, 0.00310757/step, 0.899813 hours remaining, 234.320312 MB of memory in use. ENERGY: 3957600 3968.4616 20458.8303 14448.9209 255.6501 -203311.4137 2492.4701 0.0000 0.0000 52150.2955 -109536.7852 299.7085 -161687.0807 -109170.3796 298.6472 -25.7550 4.5774 762307.6334 12.1200 12.1294 PRESSURE: 3957800 -262.694 231.931 -134.718 231.93 24.9183 59.7533 -134.716 59.7544 2.16454 GPRESSURE: 3957800 -187.402 292.819 -195.246 100.611 87.1603 32.7288 73.9565 192.546 -24.3849 PRESSAVG: 3957800 -35.2911 29.3131 -8.1025 29.3131 58.0059 -12.0504 -8.10247 -12.0504 -3.84927 GPRESSAVG: 3957800 -34.7899 30.4099 -7.83109 29.5614 58.4393 -12.0774 -9.15133 -12.7156 -4.09775 TIMING: 3957800 CPU: 12363.9, 0.0030908/step Wall: 12363.9, 0.0030908/step, 0.894788 hours remaining, 234.320312 MB of memory in use. ENERGY: 3957800 4042.0898 20533.5526 14465.7223 245.2391 -203279.2779 2595.5322 0.0000 0.0000 51968.4118 -109428.7301 298.6632 -161397.1418 -109067.1940 299.0158 -78.5369 -41.5421 760448.7005 6.2885 6.5172 PRESSURE: 3958000 -285.627 -99.0236 -60.1809 -99.023 39.8922 -121.395 -60.1804 -121.396 332.054 GPRESSURE: 3958000 -126.225 -158.076 -80.9326 -87.2926 11.941 -218.126 -80.8578 -50.7496 284.284 PRESSAVG: 3958000 -20.8257 68.7252 36.9351 68.7252 66.7327 17.1528 36.9351 17.1529 -9.61181 GPRESSAVG: 3958000 -19.5503 67.8233 37.0183 67.2443 65.1723 15.6752 36.5689 18.2258 -9.73283 TIMING: 3958000 CPU: 12364.5, 0.0030955/step Wall: 12364.5, 0.0030955/step, 0.895974 hours remaining, 234.523438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3958000 3984.5050 20438.9608 14499.5234 233.4666 -203330.5765 2744.1662 0.0000 0.0000 52026.2715 -109403.6828 298.9957 -161429.9544 -109047.8281 298.9177 28.7730 56.6668 761103.5949 12.0984 11.9631 PRESSURE: 3958200 108.342 373.645 3.60196 373.645 -143.338 230.381 3.60232 230.38 -220.124 GPRESSURE: 3958200 163.847 296.914 -3.82498 201.459 -140.484 202.452 -125.296 312.907 -198.33 PRESSAVG: 3958200 -55.3126 -0.541199 -23.0862 -0.541254 41.5878 -9.3291 -23.0862 -9.32911 -24.4587 GPRESSAVG: 3958200 -57.2556 -0.376581 -22.0858 0.028673 42.3845 -6.6488 -23.8623 -11.4702 -24.146 TIMING: 3958200 CPU: 12365.2, 0.00311215/step Wall: 12365.2, 0.00311215/step, 0.900622 hours remaining, 234.523438 MB of memory in use. ENERGY: 3958200 3957.6449 20485.3375 14511.3682 247.6860 -202811.7656 2420.8220 0.0000 0.0000 51812.2667 -109376.6404 297.7658 -161188.9071 -109002.9478 298.6547 -85.0401 -58.3219 764064.8713 -12.7278 -13.0057 PRESSURE: 3958400 319.334 -210.821 -213.106 -210.821 -264.833 -169.856 -213.107 -169.856 -115.199 GPRESSURE: 3958400 176.181 -118.859 -146.047 -151.453 -75.7866 -119.511 -285.61 -108.756 -88.5986 PRESSAVG: 3958400 49.2861 0.802992 -57.0325 0.802937 -34.0639 -63.4685 -57.0326 -63.4685 13.8579 GPRESSAVG: 3958400 50.008 1.47948 -57.4538 -1.20558 -34.6038 -63.9183 -57.1427 -62.4986 13.9336 TIMING: 3958400 CPU: 12365.8, 0.00310575/step Wall: 12365.8, 0.00310575/step, 0.898597 hours remaining, 234.523438 MB of memory in use. ENERGY: 3958400 3975.1191 20342.7197 14413.5670 237.4721 -203352.8319 2781.5575 0.0000 0.0000 52203.1886 -109399.2080 300.0124 -161602.3965 -109031.5294 298.4630 -20.2324 3.9318 762871.9401 9.6934 9.7793 PRESSURE: 3958600 125.597 -80.1644 -7.78631 -80.165 -149.619 -113.791 -7.78555 -113.791 442.172 GPRESSURE: 3958600 99.2275 -172.466 -23.7179 13.8955 -52.953 -48.8527 23.2955 -94.8769 442.496 PRESSAVG: 3958600 -13.2495 -67.9509 1.70628 -67.9509 -6.45721 -29.956 1.70623 -29.9559 34.5603 GPRESSAVG: 3958600 -13.34 -67.7453 -1.15363 -64.843 -5.21246 -30.7722 4.31175 -30.1052 33.5597 TIMING: 3958600 CPU: 12366.4, 0.00310756/step Wall: 12366.4, 0.00310756/step, 0.898948 hours remaining, 234.523438 MB of memory in use. ENERGY: 3958600 4053.3783 20440.9044 14524.0435 231.9510 -203475.2343 2956.3433 0.0000 0.0000 52043.7213 -109224.8925 299.0960 -161268.6138 -108863.3593 299.0440 139.3835 162.9235 763217.1285 4.9512 5.0024 PRESSURE: 3958800 -118.741 57.6239 242.42 57.6249 -30.7441 93.8854 242.42 93.8855 -132.082 GPRESSURE: 3958800 -183.853 187.255 275.29 42.2592 59.699 -9.71786 127.506 26.8302 -70.3795 PRESSAVG: 3958800 -55.8006 8.08851 38.7041 8.08848 20.6739 -42.7278 38.7041 -42.7277 -4.32977 GPRESSAVG: 3958800 -56.0487 6.74258 39.7884 6.0459 19.7401 -42.9514 39.3636 -43.3716 -3.74837 TIMING: 3958800 CPU: 12367, 0.00309576/step Wall: 12367, 0.00309576/step, 0.895363 hours remaining, 234.523438 MB of memory in use. ENERGY: 3958800 4049.7877 20421.4089 14596.0919 249.4416 -203522.9356 2590.9006 0.0000 0.0000 52324.6802 -109290.6248 300.7107 -161615.3050 -108926.9998 298.9534 -93.8556 -64.8445 762507.8140 -13.1521 -13.3523 PRESSURE: 3959000 -635.907 -167.776 -66.5482 -167.775 -363.494 -57.9443 -66.5481 -57.9453 -701.892 GPRESSURE: 3959000 -622.24 -124.42 -56.9037 -247.639 -316.997 13.7137 -32.5741 -74.7593 -670.002 PRESSAVG: 3959000 76.2245 24.8257 16.5862 24.8257 -20.6954 -34.1189 16.5862 -34.119 17.4407 GPRESSAVG: 3959000 76.712 24.2579 15.8832 25.1592 -21.2307 -33.6956 16.0282 -34.9436 17.0654 TIMING: 3959000 CPU: 12367.6, 0.00309197/step Wall: 12367.6, 0.00309197/step, 0.894095 hours remaining, 234.523438 MB of memory in use. ENERGY: 3959000 3969.9606 20539.9697 14607.2369 235.4138 -203384.0921 2522.1983 0.0000 0.0000 52273.3946 -109235.9181 300.4159 -161509.3128 -108866.8933 299.6836 -567.0975 -536.4131 763900.3482 24.3232 24.1822 PRESSURE: 3959200 119.368 194.84 0.00932302 194.84 -332.909 36.1627 0.00853693 36.1636 -106.684 GPRESSURE: 3959200 100.785 106.429 -64.6123 142.627 -258.224 -5.19818 -31.8835 38.3973 -61.6562 PRESSAVG: 3959200 -44.0555 37.8821 2.16674 37.882 48.245 -46.0663 2.16677 -46.0663 -6.98334 GPRESSAVG: 3959200 -43.9614 34.9023 3.2653 38.1692 48.9846 -45.381 3.47782 -47.328 -7.65332 TIMING: 3959200 CPU: 12368.3, 0.00310151/step Wall: 12368.3, 0.00310151/step, 0.896681 hours remaining, 234.523438 MB of memory in use. ENERGY: 3959200 3990.5706 20546.9691 14503.1550 248.5616 -203473.7521 2736.5912 0.0000 0.0000 52014.7706 -109433.1341 298.9296 -161447.9047 -109071.0400 299.1740 -106.7414 -73.0317 762639.4781 -0.9313 -0.8767 PRESSURE: 3959400 366.175 -105.746 94.5231 -105.746 233.325 -67.4602 94.5233 -67.4605 -31.8184 GPRESSURE: 3959400 395.816 -81.1246 180.157 -135.416 201.761 -122.113 146.299 -112.782 33.1403 PRESSAVG: 3959400 8.2698 47.7219 38.6826 47.7218 20.2491 -46.1255 38.6826 -46.1255 2.75793 GPRESSAVG: 3959400 7.76485 51.0437 38.7921 44.8883 19.8996 -46.7933 36.616 -45.9178 3.41591 TIMING: 3959400 CPU: 12368.9, 0.00309716/step Wall: 12368.9, 0.00309716/step, 0.89525 hours remaining, 234.523438 MB of memory in use. ENERGY: 3959400 4030.2734 20686.0470 14517.9657 249.3750 -203712.8996 3021.5436 0.0000 0.0000 51888.8943 -109318.8007 298.2062 -161207.6949 -108953.1164 299.2618 189.2271 210.2392 763181.0581 10.4256 10.3601 PRESSURE: 3959600 -539.806 -105.835 73.5531 -105.834 -146.699 136.909 73.5537 136.909 -40.6026 GPRESSURE: 3959600 -504.097 -55.7343 4.68135 -139.15 -149.985 72.8941 177.909 121.012 8.76922 PRESSAVG: 3959600 4.47239 3.71176 26.9709 3.71184 48.8632 -42.9061 26.971 -42.9061 16.9204 GPRESSAVG: 3959600 4.54423 1.23025 27.2446 6.82605 48.3347 -42.4111 30.8173 -42.8056 17.4826 TIMING: 3959600 CPU: 12369.5, 0.00312311/step Wall: 12369.5, 0.00312311/step, 0.90258 hours remaining, 234.523438 MB of memory in use. ENERGY: 3959600 4140.8203 20561.4164 14452.4142 258.9932 -203291.6506 2624.2027 0.0000 0.0000 52029.5776 -109224.2263 299.0147 -161253.8039 -108867.5508 299.2279 -242.3691 -215.1042 763572.7158 23.4186 23.4538 PRESSURE: 3959800 -43.2502 26.9315 -75.4876 26.9309 -402.327 -78.3683 -75.4882 -78.3686 26.8389 GPRESSURE: 3959800 -30.2577 -8.01585 -115.804 -26.8067 -315.419 -58.184 -83.6426 -71.1251 31.9295 PRESSAVG: 3959800 -14.0176 -3.44314 13.2916 -3.4431 50.3423 55.3741 13.2916 55.3742 -25.5239 GPRESSAVG: 3959800 -14.7664 -1.32545 13.5429 -4.62215 50.6437 55.2059 8.72046 54.6189 -25.2951 TIMING: 3959800 CPU: 12370.1, 0.00311108/step Wall: 12370.1, 0.00311108/step, 0.898929 hours remaining, 234.523438 MB of memory in use. ENERGY: 3959800 3980.1361 20667.6809 14495.3910 251.3733 -203038.3305 2582.5882 0.0000 0.0000 51967.6847 -109093.4763 298.6590 -161061.1610 -108736.9072 299.4313 -139.5796 -104.5824 763932.8982 3.6003 3.5274 PRESSURE: 3960000 -65.8257 -54.7449 9.04166 -54.746 233.411 95.357 9.04241 95.3561 -138.442 GPRESSURE: 3960000 -10.1554 -72.3564 -7.72925 -151.74 192.492 27.2764 -26.3111 221.825 -68.7957 PRESSAVG: 3960000 -15.1478 3.5066 0.584544 3.50659 -4.4955 27.8876 0.584588 27.8876 32.4726 GPRESSAVG: 3960000 -16.1912 5.18966 0.178203 2.27757 -3.62843 28.4076 0.0685447 27.5959 32.6272 TIMING: 3960000 CPU: 12370.7, 0.0031111/step Wall: 12370.7, 0.0031111/step, 0.898762 hours remaining, 234.523438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3960000 4077.4735 20392.9524 14479.8012 237.3964 -203086.4123 2585.0966 0.0000 0.0000 52270.1972 -109043.4951 300.3975 -161313.6923 -108666.4285 299.6354 9.7146 37.8471 764544.6324 4.2764 4.2692 PRESSURE: 3960200 -221.827 55.3717 93.7838 55.3708 136.294 303.646 93.783 303.647 -39.9713 GPRESSURE: 3960200 -250.94 23.4669 11.4588 -5.0833 182.672 298.329 198.856 226.639 31.4778 PRESSAVG: 3960200 -50.1115 18.2346 29.739 18.2346 10.7831 -0.553337 29.739 -0.553345 -9.45992 GPRESSAVG: 3960200 -49.7748 16.9552 29.7451 18.4132 9.93486 -1.92855 32.1904 0.870815 -9.24105 TIMING: 3960200 CPU: 12371.4, 0.00314026/step Wall: 12371.4, 0.00314026/step, 0.907011 hours remaining, 234.523438 MB of memory in use. ENERGY: 3960200 3968.0236 20447.5932 14391.1571 244.4505 -203169.8629 2752.3317 0.0000 0.0000 52241.7283 -109124.5785 300.2339 -161366.3068 -108755.1930 299.5877 -41.8348 -12.2633 763899.2464 -16.2628 -16.3603 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 ============== 12384.2 LDB: Largest compute 7003 load 0.027719 is 14.2% of average load 0.195341 LDB: Average compute 0.004411 is 2.3% of average load 0.195341 LDB: TIME 12384.2 LOAD: AVG 0.195341 MAX 0.216427 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.523 MB LDB: TIME 12384.2 LOAD: AVG 0.195341 MAX 0.216427 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.527 MB LDB: TIME 12384.2 LOAD: AVG 0.195341 MAX 0.216427 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.527 MB 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: 3960400 -114.517 -62.0771 45.9376 -62.0772 316.417 181.297 45.9376 181.296 309.339 GPRESSURE: 3960400 -28.6441 -74.9847 70.8229 54.4071 307.248 221.955 32.7234 190.1 311.405 PRESSAVG: 3960400 -7.34678 -6.68014 43.4764 -6.68018 29.0698 16.0845 43.4764 16.0845 16.7781 GPRESSAVG: 3960400 -7.14821 -6.44557 44.9801 -5.45294 29.296 17.7959 41.4081 17.3772 16.105 TIMING: 3960400 CPU: 12372, 0.00320164/step Wall: 12372, 0.00320164/step, 0.924563 hours remaining, 236.507812 MB of memory in use. ENERGY: 3960400 4025.3543 20600.2960 14454.1258 245.2018 -203492.0505 2974.8967 0.0000 0.0000 51985.5099 -109206.6659 298.7614 -161192.1758 -108845.8985 299.1329 170.4133 196.6698 763262.0658 12.8337 12.7509 PRESSURE: 3960600 -140.565 3.1333 -10.8915 3.13441 -74.5532 92.1041 -10.8916 92.103 -98.3937 GPRESSURE: 3960600 -57.9083 43.5004 79.8164 1.36685 20.5924 157.182 -18.5962 36.4477 -202.524 PRESSAVG: 3960600 23.6325 -18.1271 28.265 -18.1271 10.6449 9.93118 28.265 9.93112 -21.8755 GPRESSAVG: 3960600 24.3119 -21.4631 27.2806 -15.7872 9.63473 7.50803 29.1162 9.27785 -21.8219 TIMING: 3960600 CPU: 12372.6, 0.00313416/step Wall: 12372.6, 0.00313416/step, 0.904903 hours remaining, 236.578125 MB of memory in use. ENERGY: 3960600 4029.2773 20445.4866 14423.8249 234.7360 -203576.1555 2929.5511 0.0000 0.0000 52167.7776 -109345.5020 299.8089 -161513.2796 -108981.3503 299.2066 -104.5040 -79.9466 762806.6566 4.1340 4.0416 PRESSURE: 3960800 -149.669 -36.5791 -96.2388 -36.5796 -182.707 23.532 -96.2386 23.5313 243.985 GPRESSURE: 3960800 -140.102 27.1222 15.3539 27.3972 -43.839 36.7543 -55.8925 116.494 175.066 PRESSAVG: 3960800 16.4311 20.484 16.4682 20.484 5.87421 44.4697 16.4682 44.4698 -4.30678 GPRESSAVG: 3960800 15.2561 22.6345 16.5006 19.563 7.10558 45.4409 16.8209 45.9411 -4.17383 TIMING: 3960800 CPU: 12373.3, 0.00310691/step Wall: 12373.3, 0.00310691/step, 0.896863 hours remaining, 236.636719 MB of memory in use. ENERGY: 3960800 4020.3726 20463.0883 14393.7508 253.4645 -203106.6647 2717.2316 0.0000 0.0000 51996.5011 -109262.2557 298.8246 -161258.7568 -108898.1413 299.4366 -29.4636 -2.9582 762826.7386 5.9995 6.0626 PRESSURE: 3961000 140.422 77.1038 177.544 77.1035 78.4816 89.8623 177.543 89.8619 -108.854 GPRESSURE: 3961000 224.241 24.5701 98.9484 101.45 52.9402 24.5482 99.2365 9.41862 -69.7087 PRESSAVG: 3961000 0.557058 8.51239 54.9694 8.51235 -20.8263 19.1353 54.9694 19.1353 1.44926 GPRESSAVG: 3961000 0.96665 9.02372 54.7702 8.26612 -21.8993 19.5671 55.3929 16.0597 1.73276 TIMING: 3961000 CPU: 12373.9, 0.00312504/step Wall: 12373.9, 0.00312505/step, 0.901923 hours remaining, 236.636719 MB of memory in use. ENERGY: 3961000 4024.7674 20301.2011 14447.7346 232.7340 -203469.7025 2811.2718 0.0000 0.0000 52093.6509 -109558.3429 299.3829 -161651.9937 -109193.9290 298.5135 36.6831 69.1577 761723.1842 -6.2733 -6.4000 PRESSURE: 3961200 -105.171 -33.8235 -30.4476 -33.8234 -320.95 273.423 -30.4475 273.423 -73.4455 GPRESSURE: 3961200 -41.7687 -77.2665 0.293803 25.8916 -308.59 279.71 36.7885 332.204 -53.5875 PRESSAVG: 3961200 -15.1091 1.79672 -25.9368 1.79668 17.2952 -3.65715 -25.9368 -3.65724 24.466 GPRESSAVG: 3961200 -15.9129 2.47733 -26.9276 -0.452975 18.4059 -2.8882 -25.8463 -1.31716 24.5002 TIMING: 3961200 CPU: 12374.5, 0.00312188/step Wall: 12374.5, 0.00312188/step, 0.900835 hours remaining, 236.773438 MB of memory in use. ENERGY: 3961200 3952.5826 20398.8060 14435.9372 249.7389 -202869.0602 2574.0436 0.0000 0.0000 51923.8771 -109334.0748 298.4072 -161257.9520 -108970.2196 298.1364 -166.5222 -134.6488 764751.7860 8.8841 8.9977 PRESSURE: 3961400 -124.045 -126.418 96.4816 -126.417 94.7068 66.1649 96.482 66.1651 111.061 GPRESSURE: 3961400 -31.7642 -83.8497 103.091 -202.859 161.296 138.444 160.686 -123.018 35.5228 PRESSAVG: 3961400 -39.3695 -20.478 23.4401 -20.478 21.6417 17.1263 23.4401 17.1262 -0.637752 GPRESSAVG: 3961400 -38.3784 -18.4719 25.2105 -21.1524 21.4482 15.7879 22.449 15.8203 -1.4705 TIMING: 3961400 CPU: 12375.1, 0.00312179/step Wall: 12375.1, 0.00312179/step, 0.900635 hours remaining, 236.773438 MB of memory in use. ENERGY: 3961400 4047.4986 20446.8085 14422.3741 241.8464 -203195.8459 2693.5992 0.0000 0.0000 51921.4370 -109422.2821 298.3932 -161343.7191 -109057.5154 298.4962 27.2406 55.0182 762309.8606 -6.1219 -6.1336 PRESSURE: 3961600 219.516 -26.1241 337.376 -26.1241 136.064 70.1444 337.377 70.1445 93.7431 GPRESSURE: 3961600 191.134 -56.6945 386.172 27.9391 119.475 119.929 213.446 -80.5404 238.86 PRESSAVG: 3961600 24.4897 9.40057 23.0378 9.40058 -18.0977 -30.8171 23.0378 -30.817 1.45954 GPRESSAVG: 3961600 23.521 5.87908 22.5675 12.7822 -17.5058 -31.6676 22.019 -30.8439 2.02581 TIMING: 3961600 CPU: 12375.8, 0.00312958/step Wall: 12375.8, 0.00312958/step, 0.902711 hours remaining, 236.773438 MB of memory in use. ENERGY: 3961600 3968.3830 20418.3700 14464.1474 265.3673 -203161.7662 2674.1824 0.0000 0.0000 52132.3457 -109238.9704 299.6053 -161371.3161 -108879.8274 299.2624 149.7742 183.1566 762767.4697 2.6172 2.6803 PRESSURE: 3961800 -195.755 138.433 -86.2959 138.433 -24.5869 141.743 -86.2962 141.744 -126.14 GPRESSURE: 3961800 -189.712 79.4617 -139.587 211.837 30.1398 137.667 -41.0299 154.784 -100.007 PRESSAVG: 3961800 35.0013 32.4634 -10.9962 32.4635 -36.2838 2.70939 -10.9963 2.70936 14.6208 GPRESSAVG: 3961800 34.8644 33.3616 -11.1003 33.2879 -36.0781 3.54048 -10.3173 3.53969 14.4684 TIMING: 3961800 CPU: 12376.4, 0.00312042/step Wall: 12376.4, 0.00312042/step, 0.899895 hours remaining, 236.773438 MB of memory in use. ENERGY: 3961800 4007.6301 20474.4581 14544.3475 252.3252 -203536.6365 2888.6247 0.0000 0.0000 52207.4247 -109161.8263 300.0368 -161369.2510 -108795.5199 299.1859 -115.4938 -86.5263 763885.2562 4.4461 4.4182 PRESSURE: 3962000 242.677 -179.854 -7.53305 -179.856 190.533 175.29 -7.53318 175.29 230.093 GPRESSURE: 3962000 260.586 -81.9345 9.93381 -242.09 259.63 210.072 13.1463 205.542 228.747 PRESSAVG: 3962000 40.6 30.6706 11.0772 30.6706 -78.3964 44.6139 11.0772 44.6139 27.0941 GPRESSAVG: 3962000 40.9752 30.8563 10.7862 27.1455 -79.5398 45.3757 10.5666 42.8288 27.8035 TIMING: 3962000 CPU: 12377, 0.00311076/step Wall: 12377, 0.00311076/step, 0.896935 hours remaining, 236.773438 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: 3962000 3989.3551 20416.0114 14513.1414 250.1667 -203020.1452 2854.2690 0.0000 0.0000 51933.5350 -109063.6667 298.4627 -160997.2017 -108697.8447 299.2955 221.1011 249.6543 763125.8489 -3.5674 -3.5870 PRESSURE: 3962200 -148.156 34.5766 18.779 34.5768 363.077 42.9813 18.7784 42.9804 -15.2557 GPRESSURE: 3962200 -62.3067 9.8851 32.1055 -10.2351 311.347 56.7336 -109.568 31.2947 32.995 PRESSAVG: 3962200 -50.3707 11.4626 2.14689 11.4626 34.6802 52.4491 2.14686 52.4492 -24.5391 GPRESSAVG: 3962200 -50.1829 10.8636 3.65437 12.1186 34.9562 52.3696 0.461495 54.552 -24.9212 TIMING: 3962200 CPU: 12377.6, 0.00311622/step Wall: 12377.6, 0.00311622/step, 0.898337 hours remaining, 236.773438 MB of memory in use. ENERGY: 3962200 3923.3315 20495.8669 14515.0540 237.5324 -202623.5124 2312.1661 0.0000 0.0000 52121.9351 -109017.6263 299.5455 -161139.5614 -108658.5253 299.0646 66.5551 94.0118 762588.8469 -13.4099 -13.3826 PRESSURE: 3962400 -29.4464 -62.5204 7.89576 -62.52 149.705 -64.5361 7.89585 -64.5363 364.114 GPRESSURE: 3962400 -14.2411 -31.782 3.84659 -87.801 178.821 -120.653 48.0148 -135.364 412.444 PRESSAVG: 3962400 57.8843 40.5125 -34.3239 40.5125 -49.7529 13.0942 -34.3239 13.0942 2.17904 GPRESSAVG: 3962400 57.8819 41.1244 -35.6314 41.663 -50.5042 12.0447 -32.9921 11.9475 2.36078 TIMING: 3962400 CPU: 12378.3, 0.00311651/step Wall: 12378.3, 0.00311651/step, 0.898247 hours remaining, 236.773438 MB of memory in use. ENERGY: 3962400 3939.6229 20386.2941 14431.1340 231.8198 -203037.2546 2711.8936 0.0000 0.0000 52162.2003 -109174.2900 299.7769 -161336.4903 -108814.0744 299.0340 161.4577 192.3411 763166.5162 3.4368 3.2462 PRESSURE: 3962600 -163.078 116.371 3.90485 116.371 109.329 -145.548 3.90464 -145.548 101.575 GPRESSURE: 3962600 -61.9538 116.736 38.2286 95.2378 85.8521 -195.725 -60.9884 -89.0403 111.435 PRESSAVG: 3962600 -34.9518 18.0547 19.5973 18.0548 31.1868 -1.40277 19.5974 -1.40274 -2.83591 GPRESSAVG: 3962600 -35.0744 17.2828 18.1744 17.2511 31.7422 -0.324914 21.8448 0.448677 -3.2084 TIMING: 3962600 CPU: 12378.9, 0.00310229/step Wall: 12378.9, 0.00310229/step, 0.893977 hours remaining, 236.773438 MB of memory in use. ENERGY: 3962600 3945.8636 20373.7464 14387.2106 232.3308 -202975.8049 2778.8532 0.0000 0.0000 52170.6504 -109087.1499 299.8254 -161257.8002 -108720.9204 299.3322 15.9421 45.1110 763972.8496 -2.2003 -2.1802 PRESSURE: 3962800 -234.753 -78.1452 5.73338 -78.1461 -56.4094 -187.833 5.73295 -187.832 259.89 GPRESSURE: 3962800 -204.492 -20.4032 -18.5621 -39.9505 72.6697 -153.884 125.748 -158.662 179.963 PRESSAVG: 3962800 -71.6422 -11.8046 -12.9397 -11.8045 49.2356 36.852 -12.9398 36.852 -3.08652 GPRESSAVG: 3962800 -73.0654 -10.5388 -12.6836 -12.9285 49.9425 36.9597 -12.641 37.0842 -3.02195 TIMING: 3962800 CPU: 12379.5, 0.00309171/step Wall: 12379.5, 0.00309171/step, 0.890755 hours remaining, 236.773438 MB of memory in use. ENERGY: 3962800 3889.5659 20560.7990 14471.1031 245.5128 -202849.9154 2385.4906 0.0000 0.0000 52099.2678 -109198.1762 299.4152 -161297.4439 -108845.4612 298.7572 -10.4242 16.0468 763758.7291 -8.4977 -8.7149 PRESSURE: 3963000 19.0283 -61.8946 135.582 -61.8943 11.0354 107.453 135.582 107.454 -108.379 GPRESSURE: 3963000 76.2913 78.0366 39.8019 -59.3536 22.3028 96.3157 135.454 19.7504 -96.1282 PRESSAVG: 3963000 4.01597 30.6771 -5.85028 30.6772 -10.7018 39.2664 -5.85034 39.2664 7.6428 GPRESSAVG: 3963000 5.06631 30.427 -4.75978 31.113 -11.1896 37.6084 -6.88617 37.7662 7.46937 TIMING: 3963000 CPU: 12380.1, 0.00310561/step Wall: 12380.1, 0.00310561/step, 0.894589 hours remaining, 236.773438 MB of memory in use. ENERGY: 3963000 4005.0057 20593.3112 14503.5907 257.0526 -203514.4292 2947.2040 0.0000 0.0000 51910.1440 -109298.1210 298.3283 -161208.2650 -108936.8428 299.0822 -26.1050 0.8220 762845.8038 0.3190 0.4487 PRESSURE: 3963200 18.0514 82.9125 -249.536 82.9131 179.874 -326.24 -249.536 -326.24 29.9507 GPRESSURE: 3963200 86.8169 118.726 -298.865 49.1862 182.19 -294.061 -371.382 -264.252 60.1372 PRESSAVG: 3963200 -12.8506 19.7884 50.9589 19.7884 36.5003 -25.1198 50.9589 -25.1199 7.47349 GPRESSAVG: 3963200 -12.2995 20.0472 51.2694 20.4646 37.165 -25.7713 47.8279 -24.2295 6.64529 TIMING: 3963200 CPU: 12380.7, 0.00309393/step Wall: 12380.7, 0.00309393/step, 0.891052 hours remaining, 236.773438 MB of memory in use. ENERGY: 3963200 4066.0188 20435.9067 14505.7889 243.9708 -202976.0270 2689.5313 0.0000 0.0000 51859.5917 -109175.2189 298.0378 -161034.8106 -108814.3421 298.9702 75.9586 109.7146 762222.4178 10.3744 10.5036 PRESSURE: 3963400 230.436 104.685 -267.424 104.685 335.731 103.468 -267.424 103.468 29.7029 GPRESSURE: 3963400 245.312 37.1187 -265.397 125.515 374.801 99.5002 -167.349 132.366 48.8462 PRESSAVG: 3963400 6.243 20.9914 -41.5008 20.9914 -15.8909 34.8011 -41.5008 34.8011 -2.15993 GPRESSAVG: 3963400 6.29454 20.3478 -40.9235 20.2955 -16.5407 36.1083 -38.984 34.4437 -1.3588 TIMING: 3963400 CPU: 12381.4, 0.00311131/step Wall: 12381.4, 0.00311131/step, 0.895884 hours remaining, 236.773438 MB of memory in use. ENERGY: 3963400 4033.8720 20545.1743 14447.1859 231.9629 -203401.5899 2989.4413 0.0000 0.0000 51896.5128 -109257.4408 298.2500 -161153.9535 -108903.1173 298.9384 198.6233 222.9864 761580.3973 -3.9359 -3.8683 PRESSURE: 3963600 16.0146 -138.332 324.837 -138.332 153.429 115.387 324.837 115.388 114.764 GPRESSURE: 3963600 7.62394 -156.463 285.525 -53.6632 251.314 14.6965 278.129 189.502 99.621 PRESSAVG: 3963600 -43.2092 21.3512 -3.4217 21.3511 14.7038 -36.0822 -3.42171 -36.0822 -31.8492 GPRESSAVG: 3963600 -43.2294 22.2006 -2.04169 21.4648 14.3411 -36.8026 -3.74558 -36.2567 -31.2329 TIMING: 3963600 CPU: 12382, 0.00311756/step Wall: 12382, 0.00311756/step, 0.897511 hours remaining, 236.773438 MB of memory in use. ENERGY: 3963600 3937.8877 20511.1437 14459.7710 246.9507 -203254.9687 2598.5551 0.0000 0.0000 52109.5926 -109391.0679 299.4745 -161500.6605 -109031.7647 298.8630 94.7358 119.5197 762742.4753 -20.1182 -20.0404 PRESSURE: 3963800 165.654 -127.54 38.5991 -127.54 161.652 199.406 38.5988 199.406 -144.372 GPRESSURE: 3963800 94.4105 4.09265 41.9203 -115.013 233.069 179.929 56.6517 93.3708 -64.8947 PRESSAVG: 3963800 -41.8438 15.7327 25.0626 15.7327 21.3013 37.5077 25.0626 37.5077 -4.86994 GPRESSAVG: 3963800 -42.0136 14.1345 22.0723 16.3151 21.3001 37.5927 24.8863 34.8785 -5.32861 TIMING: 3963800 CPU: 12382.6, 0.00310415/step Wall: 12382.6, 0.00310415/step, 0.893477 hours remaining, 236.773438 MB of memory in use. ENERGY: 3963800 4009.3353 20392.3878 14376.1959 242.8673 -203531.5508 3154.2714 0.0000 0.0000 51986.8347 -109369.6585 298.7691 -161356.4932 -109006.4739 298.7335 60.9780 87.5281 763685.5163 -8.4708 -8.6807 PRESSURE: 3964000 349.737 152.378 -74.1278 152.378 122.86 -19.5154 -74.1279 -19.5152 148.014 GPRESSURE: 3964000 461.896 67.7842 -33.8601 95.5154 109.854 -70.4057 -9.70738 47.6007 124.354 PRESSAVG: 3964000 23.1009 2.38367 31.8927 2.38368 25.6386 15.3059 31.8926 15.3059 -18.1594 GPRESSAVG: 3964000 22.4928 3.32138 33.3034 1.51876 24.9942 15.5558 31.0193 16.0363 -16.1434 TIMING: 3964000 CPU: 12383.2, 0.00311835/step Wall: 12383.2, 0.00311835/step, 0.897391 hours remaining, 236.773438 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: 3964000 4006.1109 20388.7493 14512.0432 248.8328 -203653.1929 3212.4174 0.0000 0.0000 52031.1838 -109253.8555 299.0239 -161285.0393 -108886.4358 299.2242 206.8703 232.0349 763770.8939 10.1934 10.4479 PRESSURE: 3964200 -289.628 -78.8142 -162.53 -78.8136 58.4195 108.156 -162.53 108.156 -469.805 GPRESSURE: 3964200 -231.457 12.8534 -86.1304 -98.7978 92.7608 -18.2562 -249.078 247.331 -496.387 PRESSAVG: 3964200 -36.0682 21.9973 -4.28157 21.9972 10.5015 7.72267 -4.28156 7.72269 -5.08143 GPRESSAVG: 3964200 -34.8408 23.1067 -5.73875 21.7911 11.3603 7.58239 -4.2471 8.74323 -7.55737 TIMING: 3964200 CPU: 12383.8, 0.00309932/step Wall: 12383.8, 0.00309932/step, 0.891742 hours remaining, 236.773438 MB of memory in use. ENERGY: 3964200 4073.1693 20416.1179 14453.8007 247.1574 -203582.4269 3069.9454 0.0000 0.0000 51981.3138 -109340.9224 298.7373 -161322.2363 -108977.7820 298.9671 -233.6713 -211.6945 763944.2025 -10.2161 -10.3460 LDB: ============= START OF LOAD BALANCING ============== 12396.3 LDB: ============== END OF LOAD BALANCING =============== 12396.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12396.3 LDB: ============= START OF LOAD BALANCING ============== 12396.6 LDB: Largest compute 7041 load 0.028419 is 14.6% of average load 0.195270 LDB: Average compute 0.004377 is 2.2% of average load 0.195270 LDB: TIME 12396.6 LOAD: AVG 0.19527 MAX 0.213363 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.031 MB LDB: TIME 12396.6 LOAD: AVG 0.19527 MAX 0.213363 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.035 MB LDB: TIME 12396.6 LOAD: AVG 0.19527 MAX 0.213363 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.035 MB LDB: ============== END OF LOAD BALANCING =============== 12396.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12396.6 PRESSURE: 3964400 -30.9237 -239.998 -23.8686 -239.998 176.261 -129.938 -23.8685 -129.938 -61.7641 GPRESSURE: 3964400 28.3725 -195.735 40.7139 -186.528 183.962 -158.384 -94.3799 -108.666 -34.1315 PRESSAVG: 3964400 -17.1706 -8.39194 -5.53735 -8.39194 41.5665 -3.68566 -5.53743 -3.68567 -0.538825 GPRESSAVG: 3964400 -16.1305 -8.14981 -3.22496 -6.51162 39.985 -2.47495 -5.89863 -5.00761 0.396199 TIMING: 3964400 CPU: 12384.5, 0.00317927/step Wall: 12384.5, 0.00317927/step, 0.914569 hours remaining, 234.261719 MB of memory in use. ENERGY: 3964400 3987.1381 20420.5614 14455.9337 263.7218 -203283.0254 2731.4287 0.0000 0.0000 52137.5268 -109286.7149 299.6351 -161424.2416 -108918.1653 299.0390 27.8578 59.4011 763431.2918 7.9524 8.0836 PRESSURE: 3964600 -320.611 -132.356 171.316 -132.357 -58.8107 -67.5159 171.317 -67.5151 164.645 GPRESSURE: 3964600 -218.964 -106.974 162.71 -210.657 -45.9607 -93.1363 290.098 -41.5745 124.691 PRESSAVG: 3964600 -77.4938 -43.5788 40.7655 -43.5788 38.2489 29.4903 40.7655 29.4903 -8.15236 GPRESSAVG: 3964600 -78.6183 -45.3089 37.2962 -43.3122 40.2117 29.0699 44.8915 30.0255 -8.64427 TIMING: 3964600 CPU: 12385.1, 0.0031204/step Wall: 12385.1, 0.0031204/step, 0.897461 hours remaining, 234.250000 MB of memory in use. ENERGY: 3964600 3906.6466 20603.8952 14486.7281 227.6944 -203012.4590 2633.4943 0.0000 0.0000 51891.7561 -109262.2443 298.2226 -161154.0005 -108923.3754 299.1186 -71.5921 -46.7446 764142.3502 -15.7991 -15.6836 PRESSURE: 3964800 -287.836 -14.1281 -72.611 -14.1283 308.085 66.6824 -72.6119 66.6842 455.7 GPRESSURE: 3964800 -212.465 -86.0606 -134.553 -4.33451 335.544 97.7449 -70.4377 23.8911 437.017 PRESSAVG: 3964800 -11.9694 10.0841 27.006 10.0841 1.10215 -18.263 27.006 -18.263 -27.6427 GPRESSAVG: 3964800 -11.7887 10.0367 28.7972 10.6196 0.805168 -17.7217 23.7804 -17.2438 -27.5194 TIMING: 3964800 CPU: 12385.7, 0.00312042/step Wall: 12385.7, 0.00312041/step, 0.897293 hours remaining, 234.250000 MB of memory in use. ENERGY: 3964800 4025.2134 20412.1568 14498.8834 244.3273 -203333.3506 2775.7271 0.0000 0.0000 52103.5024 -109273.5402 299.4395 -161377.0426 -108909.1610 299.2027 158.6496 186.6988 763526.9603 -12.8366 -12.8343 PRESSURE: 3965000 91.407 -56.0368 -18.8564 -56.0371 -138.271 61.2078 -18.8572 61.2092 -190.683 GPRESSURE: 3965000 45.4145 55.0389 -50.288 -102.275 -32.1836 35.0286 113.36 160.461 -186.867 PRESSAVG: 3965000 15.0676 -17.0518 23.6988 -17.0518 35.7303 45.4007 23.6987 45.4007 -8.78012 GPRESSAVG: 3965000 14.6108 -17.2934 23.4723 -16.3001 36.5625 44.8913 24.8181 47.5037 -9.04904 TIMING: 3965000 CPU: 12386.4, 0.00312145/step Wall: 12386.4, 0.00312145/step, 0.897416 hours remaining, 234.250000 MB of memory in use. ENERGY: 3965000 3981.9878 20569.5184 14570.4185 246.2329 -203506.5388 2910.3915 0.0000 0.0000 52130.4003 -109097.5894 299.5941 -161227.9897 -108739.7518 299.5719 -79.1824 -57.8786 762307.7658 14.0059 14.0414 PRESSURE: 3965200 -118.799 -155.248 -137.972 -155.248 -258.478 232.89 -137.973 232.891 -530.865 GPRESSURE: 3965200 -138.107 -149.56 -159.751 -63.8193 -166.648 284.208 -16.9281 187.248 -512.015 PRESSAVG: 3965200 -61.2317 -11.75 26.5203 -11.75 -5.43238 38.7583 26.5203 38.7583 -12.1935 GPRESSAVG: 3965200 -61.5805 -11.5194 27.5319 -11.0939 -5.27756 38.2042 26.9438 36.5427 -11.8536 TIMING: 3965200 CPU: 12387, 0.00310786/step Wall: 12387, 0.00310786/step, 0.893337 hours remaining, 234.250000 MB of memory in use. ENERGY: 3965200 4017.4956 20504.3218 14489.7309 248.0662 -203362.7264 2668.6462 0.0000 0.0000 52204.3288 -109230.1369 300.0190 -161434.4657 -108859.2813 299.7132 -302.7138 -272.2565 762751.5704 -26.2859 -26.2372 PRESSURE: 3965400 105.862 165.276 182.159 165.276 -125.985 350.866 182.159 350.866 -14.5071 GPRESSURE: 3965400 144.781 242.53 146.919 62.308 -65.1198 217.499 38.2901 320.517 -43.5881 PRESSAVG: 3965400 48.9004 -0.0270488 13.9015 -0.027031 -53.6919 47.1179 13.9015 47.1179 -7.71889 GPRESSAVG: 3965400 49.4009 1.44631 13.7623 -2.85633 -54.398 46.8342 10.4143 46.887 -7.67321 TIMING: 3965400 CPU: 12387.6, 0.0030933/step Wall: 12387.6, 0.0030933/step, 0.88898 hours remaining, 234.250000 MB of memory in use. ENERGY: 3965400 4044.0138 20582.0598 14556.0376 244.2864 -203488.8413 2901.1238 0.0000 0.0000 52186.8059 -108974.5140 299.9183 -161161.3200 -108620.9423 299.7976 -11.5433 12.0245 763165.3621 -4.1701 -4.2234 PRESSURE: 3965600 168.05 63.767 -54.6319 63.7664 -36.3285 226.216 -54.6321 226.216 -81.4058 GPRESSURE: 3965600 186.122 25.903 -99.692 -33.8802 24.4543 272.344 41.6784 267.368 -76.9592 PRESSAVG: 3965600 -11.4232 4.22244 -9.82542 4.22245 25.7361 54.9082 -9.82541 54.9083 0.293839 GPRESSAVG: 3965600 -10.9846 1.33714 -10.977 5.98814 26.6503 56.4038 -7.50962 56.0831 -0.963925 TIMING: 3965600 CPU: 12388.2, 0.00310463/step Wall: 12388.2, 0.00310463/step, 0.892065 hours remaining, 234.261719 MB of memory in use. ENERGY: 3965600 4018.4243 20628.2573 14453.6672 240.6205 -203419.0071 2857.3050 0.0000 0.0000 52461.2459 -108759.4868 301.4955 -161220.7327 -108387.8218 300.1498 16.7719 44.5389 763736.1449 4.8689 4.9006 PRESSURE: 3965800 -11.0081 171.729 39.4048 171.728 23.4272 -11.3907 39.4058 -11.3913 466.602 GPRESSURE: 3965800 34.571 118.463 29.1075 174.299 41.0132 52.8544 60.7662 8.02291 507.609 PRESSAVG: 3965800 -4.50137 -7.1541 38.8031 -7.15413 19.9107 38.5345 38.803 38.5345 -8.6239 GPRESSAVG: 3965800 -4.0956 -5.08229 37.7016 -8.55842 17.4947 36.6457 41.3648 38.7422 -6.25569 TIMING: 3965800 CPU: 12388.8, 0.00311206/step Wall: 12388.8, 0.00311206/step, 0.894026 hours remaining, 234.261719 MB of memory in use. ENERGY: 3965800 3985.7555 20618.6960 14537.5486 247.8079 -203112.5915 2806.6860 0.0000 0.0000 52018.8841 -108897.2135 298.9532 -160916.0976 -108533.9572 300.0335 159.6736 194.3976 764959.0044 2.2618 2.3811 PRESSURE: 3966000 -136.066 87.8523 -298.885 87.853 33.8654 -298.071 -298.885 -298.071 -292.76 GPRESSURE: 3966000 -103.311 7.11638 -226.447 42.2866 166.329 -194.052 -288.653 -304.482 -369.497 PRESSAVG: 3966000 -59.9443 19.958 10.0639 19.9581 10.0825 36.3699 10.0639 36.3698 -6.94344 GPRESSAVG: 3966000 -60.1203 20.9736 12.3544 18.5898 12.1599 35.7216 7.45169 35.5403 -9.22884 TIMING: 3966000 CPU: 12389.5, 0.00310887/step Wall: 12389.5, 0.00310887/step, 0.892937 hours remaining, 234.261719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3966000 4003.7483 20646.4467 14510.5823 220.3605 -203477.7771 2821.1577 0.0000 0.0000 52144.4447 -109131.0370 299.6748 -161275.4817 -108757.0647 299.5051 -131.6534 -102.1600 764888.4758 -18.9351 -19.0631 PRESSURE: 3966200 8.14787 -120.996 -129.326 -120.995 -252.737 60.9774 -129.327 60.9764 -448.11 GPRESSURE: 3966200 88.0774 -351.723 -224.55 -145.104 -305.047 113.806 -24.0643 42.9734 -412.087 PRESSAVG: 3966200 -28.7117 -3.67829 -45.6132 -3.67828 21.9552 6.82633 -45.6131 6.82631 -28.3554 GPRESSAVG: 3966200 -27.0741 -3.72505 -46.1841 -2.63429 20.265 8.66013 -44.394 6.47683 -27.6959 TIMING: 3966200 CPU: 12390.1, 0.00309964/step Wall: 12390.1, 0.00309964/step, 0.890113 hours remaining, 234.261719 MB of memory in use. ENERGY: 3966200 4005.2623 20793.4697 14475.5785 260.9044 -203252.2706 2748.0983 0.0000 0.0000 51822.8179 -109146.1395 297.8264 -160968.9574 -108786.2314 299.2299 -230.8997 -209.6857 764168.7924 -11.7040 -11.5017 PRESSURE: 3966400 -98.7116 73.7601 164.131 73.7606 -204.134 17.7493 164.13 17.7495 -245.612 GPRESSURE: 3966400 -203.045 41.1004 111.435 -36.924 -57.7091 -28.7129 193.938 64.3892 -198.849 PRESSAVG: 3966400 -33.2765 6.52617 -41.7719 6.52624 15.5503 11.4158 -41.772 11.4158 5.8598 GPRESSAVG: 3966400 -34.3902 5.47595 -40.8677 5.48687 16.259 11.8264 -40.9381 10.2014 6.27858 TIMING: 3966400 CPU: 12390.7, 0.00311594/step Wall: 12390.7, 0.00311594/step, 0.894621 hours remaining, 234.261719 MB of memory in use. ENERGY: 3966400 4011.1936 20716.4949 14427.9807 227.6817 -203070.0633 2509.6412 0.0000 0.0000 52242.1307 -108934.9404 300.2362 -161177.0711 -108568.7644 299.6760 -182.8192 -153.2010 763159.5285 -3.9555 -3.9509 PRESSURE: 3966600 284.69 157.527 -105.986 157.529 160.833 167.304 -105.986 167.304 -114.882 GPRESSURE: 3966600 385.855 120.201 -175.648 151.775 155.074 141.172 -35.6342 -15.5612 -122.383 PRESSAVG: 3966600 -29.2724 44.3415 -6.37356 44.3415 54.463 25.2212 -6.37371 25.2212 -1.35865 GPRESSAVG: 3966600 -28.7021 44.6885 -5.86801 45.282 54.8021 25.0312 -8.69237 26.7376 -1.90672 TIMING: 3966600 CPU: 12391.3, 0.00311214/step Wall: 12391.3, 0.00311214/step, 0.893357 hours remaining, 234.261719 MB of memory in use. ENERGY: 3966600 4015.1262 20573.1615 14466.4726 255.6801 -203468.0144 2975.1953 0.0000 0.0000 52352.4237 -108829.9551 300.8701 -161182.3787 -108474.3055 299.8439 110.2134 139.5155 763416.3619 7.9440 8.0644 PRESSURE: 3966800 28.3168 107.104 84.3384 107.103 346.422 170.678 84.3388 170.678 444.761 GPRESSURE: 3966800 194.503 161.839 23.128 89.6125 292.416 146.552 120.869 154.541 418.595 PRESSAVG: 3966800 18.838 -14.4025 0.896746 -14.4024 -8.95563 19.2415 0.89677 19.2415 18.4414 GPRESSAVG: 3966800 17.9169 -10.6519 -0.0807907 -15.575 -9.50855 17.0626 1.12275 19.1471 20.3569 TIMING: 3966800 CPU: 12391.9, 0.00310584/step Wall: 12391.9, 0.00310584/step, 0.891376 hours remaining, 234.261719 MB of memory in use. ENERGY: 3966800 3921.0753 20604.1922 14482.2287 247.1861 -203798.9796 3215.1145 0.0000 0.0000 52352.5951 -108976.5877 300.8711 -161329.1828 -108612.8576 299.9826 273.1666 301.8380 762399.9709 9.4413 9.5884 PRESSURE: 3967000 164.25 25.7417 314.778 25.7423 -210.224 173.112 314.778 173.113 4.28367 GPRESSURE: 3967000 124.163 44.3729 348.237 80.8124 -194.26 202.017 153.699 170.299 99.7172 PRESSAVG: 3967000 -18.6222 -22.8847 -3.4823 -22.8846 0.00453981 12.5302 -3.48223 12.5301 1.60733 GPRESSAVG: 3967000 -19.996 -24.4946 -3.41056 -23.5774 2.16689 14.4145 -4.03747 11.2067 0.659219 TIMING: 3967000 CPU: 12392.6, 0.00309359/step Wall: 12392.6, 0.00309359/step, 0.887688 hours remaining, 234.261719 MB of memory in use. ENERGY: 3967000 4040.8757 20443.5783 14394.7095 239.1074 -202659.2147 2535.4003 0.0000 0.0000 52130.5152 -108875.0284 299.5948 -161005.5436 -108509.5301 300.2634 -13.8967 9.8732 763855.9967 -5.6701 -5.7233 PRESSURE: 3967200 -85.7133 158.849 119.574 158.848 -137.086 -43.839 119.575 -43.8391 -77.0542 GPRESSURE: 3967200 -64.038 76.4959 85.8956 250.339 -41.9812 -49.3342 46.6706 -111.883 -94.5121 PRESSAVG: 3967200 -23.4427 7.53498 24.8097 7.53497 -20.3631 22.7396 24.8097 22.7397 -0.210544 GPRESSAVG: 3967200 -23.1288 4.76159 25.153 8.96896 -20.7077 21.3615 26.3297 22.3102 -0.336151 TIMING: 3967200 CPU: 12393.2, 0.00309563/step Wall: 12393.2, 0.00309563/step, 0.888102 hours remaining, 234.250000 MB of memory in use. ENERGY: 3967200 4046.9065 20409.2567 14464.6849 237.8438 -203057.2704 2679.1122 0.0000 0.0000 52389.3186 -108830.1477 301.0821 -161219.4663 -108461.8986 299.6890 -99.9510 -66.8438 762756.5534 -14.6721 -14.7242 PRESSURE: 3967400 -134.963 143.559 101.112 143.559 269.097 91.254 101.111 91.2537 318.97 GPRESSURE: 3967400 -96.8722 225.433 74.7559 42.1691 265.888 23.4227 81.9411 36.767 365.431 PRESSAVG: 3967400 -3.73111 35.7268 -57.5358 35.7268 -27.3978 37.5764 -57.5358 37.5763 6.78315 GPRESSAVG: 3967400 -2.19072 38.8136 -57.1513 35.0685 -29.5302 37.0164 -60.5927 38.8493 7.27836 TIMING: 3967400 CPU: 12393.8, 0.00309556/step Wall: 12393.8, 0.00309556/step, 0.88791 hours remaining, 234.261719 MB of memory in use. ENERGY: 3967400 4014.7454 20406.4336 14454.8588 255.7226 -203069.6586 2787.3990 0.0000 0.0000 52063.4037 -109087.0956 299.2091 -161150.4993 -108724.4198 299.4787 151.0346 178.1488 762511.6553 -8.1153 -8.1475 PRESSURE: 3967600 64.3873 -69.1854 31.3517 -69.1849 -94.5406 -105.083 31.3515 -105.083 -254.992 GPRESSURE: 3967600 18.98 -202.039 117.862 -49.5899 -17.8758 -8.91915 -101.064 -66.5777 -214.856 PRESSAVG: 3967600 -43.1119 -31.0974 -39.083 -31.0974 31.3014 -1.07922 -39.083 -1.07925 -15.2199 GPRESSAVG: 3967600 -44.0322 -33.6269 -38.684 -29.005 32.0549 1.09654 -38.0588 -2.96212 -15.4319 TIMING: 3967600 CPU: 12394.4, 0.00310138/step Wall: 12394.4, 0.00310138/step, 0.889407 hours remaining, 234.261719 MB of memory in use. ENERGY: 3967600 4002.6222 20403.3253 14446.5654 267.3041 -203180.5733 2656.4301 0.0000 0.0000 52141.4357 -109262.8905 299.6575 -161404.3262 -108890.2042 299.1046 -95.0483 -71.2506 763358.7941 -9.0102 -9.1364 PRESSURE: 3967800 -179.757 69.6212 5.32993 69.6223 -320.783 109.864 5.32991 109.865 -252.456 GPRESSURE: 3967800 -139.121 -36.3841 -27.9228 12.2881 -238.533 195.751 -66.0959 173.277 -307.853 PRESSAVG: 3967800 -10.9843 3.81083 1.12993 3.81079 -23.4225 19.2838 1.1299 19.2837 1.68517 GPRESSAVG: 3967800 -10.6092 3.50874 0.0149041 1.51495 -23.8013 17.12 1.54221 22.2587 1.29978 TIMING: 3967800 CPU: 12395, 0.00307779/step Wall: 12395, 0.0030778/step, 0.882472 hours remaining, 234.261719 MB of memory in use. ENERGY: 3967800 3987.7926 20453.2536 14523.2872 248.8637 -203172.2856 2695.4226 0.0000 0.0000 51981.7347 -109281.9312 298.7397 -161263.6659 -108911.8327 299.0092 -250.9985 -228.5025 762580.0234 -10.9072 -11.0369 PRESSURE: 3968000 -274.758 54.7318 202.62 54.7317 -8.5814 103.64 202.62 103.64 -311.553 GPRESSURE: 3968000 -243.894 154.398 149.963 14.7665 28.3139 118.349 294.551 114.064 -299.196 PRESSAVG: 3968000 -1.62555 -19.5522 -15.2901 -19.5522 -32.9733 -5.70341 -15.2901 -5.70336 -20.8844 GPRESSAVG: 3968000 -2.84607 -19.4029 -13.9884 -18.3463 -30.8451 -5.23158 -13.6245 -5.8254 -21.0002 TIMING: 3968000 CPU: 12395.7, 0.00308961/step Wall: 12395.7, 0.00308961/step, 0.885688 hours remaining, 234.261719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3968000 4042.3140 20651.0268 14433.9896 246.6639 -203439.9274 2679.7808 0.0000 0.0000 52110.8063 -109275.3460 299.4815 -161386.1523 -108917.0325 298.6848 -198.2976 -171.5922 761748.4643 -18.4944 -18.2305 PRESSURE: 3968200 -383.747 42.394 166.715 42.3947 -82.4541 5.88844 166.715 5.8882 -48.2353 GPRESSURE: 3968200 -262.797 134.906 114.361 -13.0404 1.95874 105.501 134.393 4.12777 -151.692 PRESSAVG: 3968200 16.0764 -39.367 32.2515 -39.3671 -19.103 -3.17891 32.2516 -3.17886 17.5672 GPRESSAVG: 3968200 16.6887 -38.3863 32.701 -39.4774 -19.0276 -2.31261 30.3478 -4.42953 16.587 TIMING: 3968200 CPU: 12396.3, 0.00309624/step Wall: 12396.3, 0.00309624/step, 0.887418 hours remaining, 234.261719 MB of memory in use. ENERGY: 3968200 3999.2764 20613.2272 14516.3761 245.3771 -203480.4607 2937.5174 0.0000 0.0000 52081.5148 -109087.1718 299.3132 -161168.6866 -108727.1713 299.7154 -171.4786 -137.5099 761838.2002 4.8468 4.7494 LDB: ============= START OF LOAD BALANCING ============== 12408.7 LDB: ============== END OF LOAD BALANCING =============== 12408.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12408.8 LDB: ============= START OF LOAD BALANCING ============== 12409.1 LDB: Largest compute 7003 load 0.028329 is 14.5% of average load 0.195273 LDB: Average compute 0.004387 is 2.2% of average load 0.195273 LDB: TIME 12409.1 LOAD: AVG 0.195273 MAX 0.213271 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.848 MB LDB: TIME 12409.1 LOAD: AVG 0.195273 MAX 0.213271 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.848 MB LDB: TIME 12409.1 LOAD: AVG 0.195273 MAX 0.213271 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.848 MB LDB: ============== END OF LOAD BALANCING =============== 12409.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12409.1 PRESSURE: 3968400 27.5968 -142.824 133.577 -142.823 -203.793 -79.4142 133.577 -79.4159 -100.318 GPRESSURE: 3968400 70.802 -123.128 80.1513 -112.687 -215.757 -23.019 69.8822 -60.015 -51.8371 PRESSAVG: 3968400 7.88352 -71.4507 40.1705 -71.4506 -5.67056 27.5709 40.1705 27.5708 -24.9469 GPRESSAVG: 3968400 8.7392 -71.4737 41.4765 -72.1159 -8.2846 27.4779 38.3662 26.6358 -23.1774 TIMING: 3968400 CPU: 12396.9, 0.00315276/step Wall: 12396.9, 0.00315276/step, 0.90344 hours remaining, 234.773438 MB of memory in use. ENERGY: 3968400 4039.9551 20593.1558 14478.7741 246.9436 -203140.1463 2752.7864 0.0000 0.0000 51974.9095 -109053.6218 298.7005 -161028.5313 -108697.8266 299.5389 -92.1716 -65.5974 762871.3077 -7.5780 -7.5743 PRESSURE: 3968600 139.896 150.426 -391.996 150.425 -86.4842 -21.2885 -391.995 -21.2889 -208.865 GPRESSURE: 3968600 95.9231 105.373 -442.451 241.744 16.8035 -69.3488 -337.694 -53.4092 -189.326 PRESSAVG: 3968600 32.975 0.331673 -16.4262 0.331672 -41.3482 -15.2448 -16.4262 -15.2448 27.0794 GPRESSAVG: 3968600 32.5858 -0.624112 -19.6988 1.56375 -39.391 -15.7095 -13.092 -15.1712 25.8185 TIMING: 3968600 CPU: 12397.5, 0.00308606/step Wall: 12397.5, 0.00308606/step, 0.884158 hours remaining, 235.097656 MB of memory in use. ENERGY: 3968600 4006.6491 20633.3150 14404.3504 232.7528 -203009.2442 2596.3294 0.0000 0.0000 52119.2426 -109016.6048 299.5300 -161135.8474 -108655.3677 299.7804 -51.8178 -25.5330 763905.3772 6.2354 6.3378 PRESSURE: 3968800 -184.44 86.7003 -91.5914 86.7009 -295.01 30.3152 -91.5916 30.3147 -255.841 GPRESSURE: 3968800 -194.98 171.894 -11.6834 206.168 -184.45 49.3816 -103.926 -90.1985 -258.732 PRESSAVG: 3968800 33.6068 63.1128 14.8899 63.1128 -18.8697 -33.3958 14.8899 -33.3958 -8.36973 GPRESSAVG: 3968800 33.8854 59.0173 16.3973 63.7236 -19.6715 -34.0041 13.9922 -32.9113 -7.50486 TIMING: 3968800 CPU: 12398.1, 0.00309217/step Wall: 12398.1, 0.00309217/step, 0.885736 hours remaining, 235.300781 MB of memory in use. ENERGY: 3968800 4080.3110 20549.8904 14457.6335 244.8274 -203194.0836 2747.5148 0.0000 0.0000 52089.7222 -109024.1843 299.3603 -161113.9065 -108664.2885 299.4523 -245.0970 -212.7207 762694.3013 2.1225 2.2363 PRESSURE: 3969000 -22.4072 42.2422 77.8927 42.2419 109.576 265.691 77.8928 265.691 119.245 GPRESSURE: 3969000 108.952 106.515 52.8411 -27.4497 56.4109 216.004 57.6133 312.546 122.781 PRESSAVG: 3969000 33.8525 40.3109 -23.3089 40.3109 0.221155 52.8271 -23.3089 52.8271 6.61729 GPRESSAVG: 3969000 34.2488 43.0023 -25.1317 41.0965 -0.115708 53.9154 -21.1146 52.5066 6.9665 TIMING: 3969000 CPU: 12398.8, 0.00309512/step Wall: 12398.8, 0.00309512/step, 0.886408 hours remaining, 235.300781 MB of memory in use. ENERGY: 3969000 3943.5553 20536.8323 14419.1636 252.2917 -203416.9294 2809.9017 0.0000 0.0000 52253.4957 -109201.6891 300.3016 -161455.1848 -108833.2955 299.2188 68.8046 96.0480 762947.1570 13.5636 13.6999 PRESSURE: 3969200 -83.56 -109.734 -27.6461 -109.733 310.674 177.207 -27.6462 177.205 -388.084 GPRESSURE: 3969200 60.9298 -191.585 52.9622 -46.2421 230.366 123.259 -16.8242 83.3218 -368.682 PRESSAVG: 3969200 28.4983 31.012 56.8549 31.0119 -20.7855 7.8463 56.8549 7.8463 6.94226 GPRESSAVG: 3969200 27.2693 30.0007 56.4225 31.1649 -20.2098 7.12334 56.96 8.46298 6.9857 TIMING: 3969200 CPU: 12399.4, 0.0030977/step Wall: 12399.4, 0.0030977/step, 0.886975 hours remaining, 235.300781 MB of memory in use. ENERGY: 3969200 4098.5265 20683.5482 14470.3017 249.8892 -203363.9790 2900.4905 0.0000 0.0000 51994.8647 -108966.3581 298.8152 -160961.2228 -108611.1149 300.2339 -53.6567 -25.7953 763379.3744 4.8850 4.6817 PRESSURE: 3969400 73.031 126.241 -14.9626 126.24 -368.411 -136.384 -14.963 -136.383 -24.0526 GPRESSURE: 3969400 83.9369 80.2274 -74.5431 -52.2201 -315.99 -73.3061 -7.44482 -67.0559 -13.1645 PRESSAVG: 3969400 64.6818 24.8399 32.2536 24.8399 -55.2232 20.3745 32.2536 20.3746 7.9946 GPRESSAVG: 3969400 65.1317 26.1219 33.1266 22.0555 -55.896 20.7268 31.2124 20.2668 7.964 TIMING: 3969400 CPU: 12400, 0.00310022/step Wall: 12400, 0.00310022/step, 0.887525 hours remaining, 235.300781 MB of memory in use. ENERGY: 3969400 3998.5521 20615.8691 14418.4279 239.0909 -203087.0528 2792.4340 0.0000 0.0000 52194.5552 -108828.1237 299.9628 -161022.6789 -108467.3946 300.0141 -106.4775 -81.7392 764048.1570 5.8177 5.7332 PRESSURE: 3969600 199.225 -70.0819 -45.1564 -70.0819 -27.9375 -15.8762 -45.156 -15.876 271.933 GPRESSURE: 3969600 320.225 -61.9603 38.4222 -66.7691 -71.7017 26.9709 -94.4317 -117.09 253.531 PRESSAVG: 3969600 63.3786 -5.19283 21.4864 -5.19288 -72.8885 -9.69517 21.4865 -9.69516 -10.7116 GPRESSAVG: 3969600 64.0026 -4.85006 21.5582 -5.20059 -73.7969 -11.6526 19.4232 -9.41153 -10.9652 TIMING: 3969600 CPU: 12400.6, 0.00308826/step Wall: 12400.6, 0.00308826/step, 0.883929 hours remaining, 235.300781 MB of memory in use. ENERGY: 3969600 3951.1357 20732.0796 14490.3560 231.8231 -203107.6898 2874.7214 0.0000 0.0000 51902.5978 -108924.9763 298.2849 -160827.5741 -108562.2910 299.8010 147.7403 167.3514 764709.5512 -6.7405 -6.9198 PRESSURE: 3969800 -132.642 -114.9 66.8374 -114.899 -160.039 102.631 66.8375 102.632 -448.63 GPRESSURE: 3969800 -12.9298 -111.964 88.8657 -132.359 -111.948 106.062 65.0851 86.3086 -516.302 PRESSAVG: 3969800 22.6969 -43.7313 7.65481 -43.7313 -34.5117 54.7 7.6548 54.6999 0.565517 GPRESSAVG: 3969800 22.8443 -43.736 8.07185 -43.7921 -34.9723 55.2442 9.63859 54.5789 0.707266 TIMING: 3969800 CPU: 12401.2, 0.00310269/step Wall: 12401.2, 0.00310269/step, 0.887886 hours remaining, 235.300781 MB of memory in use. ENERGY: 3969800 4027.2918 20463.7874 14562.0124 248.9332 -203424.7150 2770.0623 0.0000 0.0000 52096.7182 -109255.9098 299.4006 -161352.6280 -108899.9274 299.2141 -247.1039 -213.7264 764883.1918 -3.7498 -3.8069 PRESSURE: 3970000 89.0038 145.179 260.716 145.179 136.333 149.877 260.715 149.876 369.065 GPRESSURE: 3970000 168.399 132.101 265.581 171.6 92.5698 175.428 211.209 200.717 432.967 PRESSAVG: 3970000 -11.5934 -11.3499 45.7984 -11.3498 -6.00672 42.9603 45.7984 42.9603 20.8232 GPRESSAVG: 3970000 -12.2971 -12.3611 46.621 -10.6888 -5.49203 43.3421 42.7846 43.2487 20.2033 TIMING: 3970000 CPU: 12401.9, 0.00309665/step Wall: 12401.9, 0.00309665/step, 0.885987 hours remaining, 235.300781 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: 3970000 4000.9994 20390.7687 14529.1617 248.2914 -203768.1342 3181.2598 0.0000 0.0000 52156.2284 -109261.4249 299.7426 -161417.6533 -108897.0404 298.7720 198.1339 231.3117 762517.5249 1.0744 0.8047 PRESSURE: 3970200 -273.937 73.8142 -55.9084 73.8149 -211.875 -148.793 -55.9094 -148.793 -194.14 GPRESSURE: 3970200 -182.204 99.4274 -118.344 60.0717 -179.652 -105.881 -35.3808 -125.392 -239.486 PRESSAVG: 3970200 2.55461 5.38146 -17.5121 5.3814 -2.35155 50.6592 -17.5121 50.6593 8.67143 GPRESSAVG: 3970200 0.980332 5.66169 -17.6974 6.40904 -1.9162 50.8673 -16.7547 51.7068 9.84987 TIMING: 3970200 CPU: 12402.5, 0.00310572/step Wall: 12402.5, 0.00310572/step, 0.88841 hours remaining, 235.300781 MB of memory in use. ENERGY: 3970200 3965.7399 20395.9465 14569.3713 230.9435 -202817.2874 2332.5192 0.0000 0.0000 52080.3226 -109242.4443 299.3063 -161322.7669 -108871.8685 299.2155 -226.6508 -200.4475 764276.9298 2.9582 2.9713 PRESSURE: 3970400 104.117 -57.2479 -208.985 -57.247 -130.372 -114.582 -208.984 -114.583 -286.948 GPRESSURE: 3970400 255.014 3.98346 -142.699 -138.439 -104.597 -203.231 -290.408 -221.854 -379.8 PRESSAVG: 3970400 -7.76092 -65.6988 -16.4209 -65.6987 -0.58156 -10.4199 -16.421 -10.42 3.15914 GPRESSAVG: 3970400 -6.74572 -64.4391 -15.2153 -67.9283 -0.915774 -10.822 -16.6222 -8.90926 2.60925 TIMING: 3970400 CPU: 12403.1, 0.00310221/step Wall: 12403.1, 0.00310221/step, 0.887231 hours remaining, 235.300781 MB of memory in use. ENERGY: 3970400 3964.7471 20566.0380 14548.2519 236.6610 -203564.9169 2955.4694 0.0000 0.0000 52075.7722 -109217.9773 299.2802 -161293.7495 -108851.0832 298.9843 -104.4010 -76.4610 764155.2733 -1.7278 -1.6841 PRESSURE: 3970600 -98.9977 -9.00085 7.39459 -9.00102 21.3497 124.06 7.39392 124.06 121.709 GPRESSURE: 3970600 -61.5282 -104.518 -40.6331 4.98955 44.0971 30.8007 127.459 217.787 129.398 PRESSAVG: 3970600 26.9436 -4.07698 -30.4049 -4.07705 -23.3719 35.0743 -30.4049 35.0744 11.0604 GPRESSAVG: 3970600 26.4816 -4.3789 -33.5317 -2.17729 -24.4216 34.7491 -27.2728 33.881 12.5764 TIMING: 3970600 CPU: 12403.7, 0.00309545/step Wall: 12403.7, 0.00309545/step, 0.885126 hours remaining, 235.300781 MB of memory in use. ENERGY: 3970600 4011.1190 20384.8844 14471.7136 248.5115 -203593.4030 2960.7339 0.0000 0.0000 52111.7753 -109404.6654 299.4871 -161516.4407 -109045.6525 298.6623 14.6870 37.3225 763259.3487 4.8774 4.8788 PRESSURE: 3970800 -105.721 -198.298 154.05 -198.299 137.673 -29.9901 154.05 -29.9897 -41.8195 GPRESSURE: 3970800 -33.5988 -70.3061 182.974 -180.342 105.083 0.134805 72.7323 -97.79 -12.4763 PRESSAVG: 3970800 20.8626 -21.0068 -19.7953 -21.0068 -36.9924 -11.1936 -19.7953 -11.1937 9.20599 GPRESSAVG: 3970800 21.302 -21.474 -19.4167 -20.5188 -36.3995 -10.7179 -20.7745 -12.0681 7.93709 TIMING: 3970800 CPU: 12404.3, 0.00308908/step Wall: 12404.3, 0.00308908/step, 0.883132 hours remaining, 235.300781 MB of memory in use. ENERGY: 3970800 3967.3404 20688.6490 14528.5849 231.0241 -203303.2722 2711.2064 0.0000 0.0000 51991.7495 -109184.7180 298.7973 -161176.4675 -108834.5611 299.1782 -3.2893 19.6694 764148.2940 -2.3080 -2.3868 PRESSURE: 3971000 78.508 -61.0611 94.1796 -61.0608 -313.929 -128.341 94.1802 -128.342 16.7179 GPRESSURE: 3971000 58.449 -12.2293 113.596 -60.1411 -189.893 -71.6886 65.8738 -177.877 -30.8754 PRESSAVG: 3971000 22.7831 -43.2795 -20.4791 -43.2795 -43.0128 -51.1047 -20.4791 -51.1047 9.22545 GPRESSAVG: 3971000 22.4662 -43.0325 -18.6681 -45.7498 -43.2056 -50.9879 -21.9138 -51.6169 9.43866 TIMING: 3971000 CPU: 12405, 0.0031041/step Wall: 12405, 0.0031041/step, 0.887256 hours remaining, 235.300781 MB of memory in use. ENERGY: 3971000 4025.9057 20424.9908 14471.1118 241.0720 -203237.0284 2713.5465 0.0000 0.0000 52168.9731 -109191.4286 299.8158 -161360.4017 -108836.0906 298.8346 -72.9010 -54.1064 763842.0688 -3.6681 -3.7669 PRESSURE: 3971200 -242.736 80.9962 -300.805 80.9967 -167.713 -87.1186 -300.804 -87.1198 -499.933 GPRESSURE: 3971200 -196.643 10.3742 -299.144 4.90296 -174.887 -106.249 -185.482 -53.6786 -429.227 PRESSAVG: 3971200 7.34731 -12.1142 -31.6324 -12.1142 -39.0257 -3.32616 -31.6324 -3.3262 -8.7988 GPRESSAVG: 3971200 8.51647 -10.307 -32.2021 -12.9831 -40.1165 -3.16836 -30.3082 -0.502072 -9.18924 TIMING: 3971200 CPU: 12405.6, 0.00309431/step Wall: 12405.6, 0.00309431/step, 0.884284 hours remaining, 235.300781 MB of memory in use. ENERGY: 3971200 4015.9693 20468.9723 14618.7251 236.1380 -203074.1252 2629.8134 0.0000 0.0000 51981.9081 -109122.5989 298.7407 -161104.5071 -108767.1413 298.9494 -303.4608 -266.9193 765338.8561 -13.4924 -13.5964 PRESSURE: 3971400 172.111 -67.341 -142.064 -67.3405 -83.7604 49.647 -142.064 49.6478 197.98 GPRESSURE: 3971400 159.708 75.1276 -55.4275 -38.4155 -18.0783 86.0898 -80.8079 40.2847 220.62 PRESSAVG: 3971400 23.5163 16.5894 32.4907 16.5893 -55.6305 -21.9793 32.4907 -21.9792 0.721741 GPRESSAVG: 3971400 22.1002 14.7271 32.229 18.5256 -54.4278 -21.9046 31.9211 -24.4155 1.46293 TIMING: 3971400 CPU: 12406.2, 0.00309395/step Wall: 12406.2, 0.00309395/step, 0.884009 hours remaining, 235.300781 MB of memory in use. ENERGY: 3971400 4045.5446 20448.1954 14476.1072 256.5816 -202905.5687 2626.7146 0.0000 0.0000 51685.3279 -109367.0974 297.0363 -161052.4252 -109002.9578 298.8369 95.4435 120.7501 762556.8013 -10.4642 -10.2882 PRESSURE: 3971600 -492.277 -140.045 -50.0239 -140.046 16.5356 104.917 -50.0244 104.918 -329.707 GPRESSURE: 3971600 -364.245 -136.966 111.144 -54.9454 -40.222 116.777 -163.594 65.9854 -324.343 PRESSAVG: 3971600 31.8087 -24.2726 -72.5254 -24.2726 -39.0941 -49.6106 -72.5254 -49.6106 3.80501 GPRESSAVG: 3971600 32.56 -22.4502 -72.3865 -24.3008 -40.5158 -50.0602 -72.4965 -49.3836 4.42775 TIMING: 3971600 CPU: 12406.8, 0.0031093/step Wall: 12406.8, 0.0031093/step, 0.888223 hours remaining, 235.300781 MB of memory in use. ENERGY: 3971600 3976.1864 20395.2885 14519.1578 260.9916 -202656.4882 2326.8829 0.0000 0.0000 52040.4216 -109137.5593 299.0770 -161177.9810 -108764.5095 298.9022 -268.4826 -242.9365 763099.2316 -1.1601 -1.1760 PRESSURE: 3971800 -492.258 -67.9156 59.2773 -67.9163 -304.925 20.4171 59.2766 20.4171 0.485049 GPRESSURE: 3971800 -356.147 -16.1163 94.9836 -74.3743 -303.424 12.7874 -20.434 16.7395 -59.7566 PRESSAVG: 3971800 -11.8131 -52.5782 -36.5378 -52.5781 -1.23968 11.5913 -36.5378 11.5913 -1.33222 GPRESSAVG: 3971800 -11.0918 -54.3874 -35.8468 -51.6291 -0.157275 11.4506 -36.4655 10.596 -2.72051 TIMING: 3971800 CPU: 12407.4, 0.00310903/step Wall: 12407.4, 0.00310903/step, 0.887974 hours remaining, 235.300781 MB of memory in use. ENERGY: 3971800 4078.7985 20521.5674 14493.7725 236.3560 -202727.6984 2211.7577 0.0000 0.0000 51913.4971 -109271.9491 298.3476 -161185.4463 -108918.3940 299.1249 -265.5660 -239.7760 762984.9875 -4.7950 -4.6565 PRESSURE: 3972000 145.695 -61.1351 -129.27 -61.1357 80.0753 147.102 -129.271 147.104 172.222 GPRESSURE: 3972000 137.717 -3.47508 -156.937 -149.972 89.0786 200.847 -72.2719 205.568 247.617 PRESSAVG: 3972000 -22.12 -6.19594 -1.82436 -6.19598 20.0356 20.1621 -1.82434 20.1622 11.2262 GPRESSAVG: 3972000 -21.8026 -5.23248 -3.68855 -8.0093 19.2526 20.5029 -0.2446 19.6112 11.6717 TIMING: 3972000 CPU: 12408.1, 0.00310842/step Wall: 12408.1, 0.00310842/step, 0.887626 hours remaining, 235.300781 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: 3972000 4059.4445 20360.0935 14532.8644 249.0655 -203018.8361 2771.7803 0.0000 0.0000 51736.5855 -109309.0024 297.3309 -161045.5878 -108957.1989 298.9926 132.6640 158.1376 762940.1582 3.0473 3.0405 PRESSURE: 3972200 -16.3764 -134.278 55.1718 -134.278 -20.834 -13.0831 55.1725 -13.083 250.484 GPRESSURE: 3972200 40.3751 -89.8022 34.4153 -138.341 33.019 -28.487 -32.9651 61.4382 233.727 PRESSAVG: 3972200 24.4305 -2.31657 -28.5151 -2.31666 -13.3351 -22.096 -28.5152 -22.096 -13.9316 GPRESSAVG: 3972200 24.7259 -2.02028 -28.4346 -2.63001 -13.4211 -22.7989 -29.8875 -18.0736 -13.5355 TIMING: 3972200 CPU: 12408.7, 0.00309795/step Wall: 12408.7, 0.00309795/step, 0.884464 hours remaining, 235.300781 MB of memory in use. ENERGY: 3972200 3951.7620 20553.4840 14490.6564 228.4158 -203082.6700 2726.2485 0.0000 0.0000 51854.1863 -109277.9170 298.0067 -161132.1033 -108913.1212 298.7685 71.0913 102.3738 765165.5213 -0.9454 -0.7436 LDB: ============= START OF LOAD BALANCING ============== 12421.2 LDB: ============== END OF LOAD BALANCING =============== 12421.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12421.2 LDB: ============= START OF LOAD BALANCING ============== 12421.5 LDB: Largest compute 7041 load 0.027706 is 14.2% of average load 0.195257 LDB: Average compute 0.004366 is 2.2% of average load 0.195257 LDB: TIME 12421.5 LOAD: AVG 0.195257 MAX 0.213157 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.262 MB LDB: TIME 12421.5 LOAD: AVG 0.195257 MAX 0.213157 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.262 MB LDB: TIME 12421.5 LOAD: AVG 0.195257 MAX 0.213157 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.262 MB LDB: ============== END OF LOAD BALANCING =============== 12421.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12421.5 PRESSURE: 3972400 -51.8699 -1.42221 236.028 -1.4221 479.228 75.5771 236.028 75.5762 65.9108 GPRESSURE: 3972400 34.676 13.413 238.013 16.7488 468.336 90.3465 165.944 55.339 78.3473 PRESSAVG: 3972400 -3.77426 -12.0489 22.7123 -12.0489 -13.3868 21.3505 22.7123 21.3505 -23.4755 GPRESSAVG: 3972400 -3.08765 -11.1107 22.74 -12.3444 -13.2485 21.985 21.2913 18.5089 -23.851 TIMING: 3972400 CPU: 12409.3, 0.00319163/step Wall: 12409.3, 0.00319163/step, 0.911034 hours remaining, 234.261719 MB of memory in use. ENERGY: 3972400 3995.5346 20620.4256 14504.9742 260.5298 -203002.3399 2507.8714 0.0000 0.0000 51808.1011 -109304.9031 297.7419 -161113.0043 -108945.8254 298.7628 164.4229 193.7864 763161.9707 -13.5455 -13.3957 PRESSURE: 3972600 211.942 187.574 -272.222 187.573 -39.7734 130.854 -272.222 130.854 -11.3809 GPRESSURE: 3972600 236.457 43.9162 -183.232 97.2512 -27.3621 166.024 -258.339 170.661 30.006 PRESSAVG: 3972600 40.0376 10.3003 22.3061 10.3003 4.59402 4.9836 22.306 4.98358 -24.1319 GPRESSAVG: 3972600 39.0998 9.92694 22.9643 8.98299 5.18638 4.29619 20.6659 7.31333 -24.3404 TIMING: 3972600 CPU: 12409.9, 0.00310775/step Wall: 12409.9, 0.00310775/step, 0.886917 hours remaining, 234.460938 MB of memory in use. ENERGY: 3972600 3890.7571 20472.8141 14561.0351 247.7068 -203192.5083 2641.5237 0.0000 0.0000 52154.2109 -109224.4606 299.7310 -161378.6715 -108852.1721 298.2666 53.5957 79.7003 761723.1976 6.8332 6.6486 PRESSURE: 3972800 -171.974 68.4414 -88.5184 68.4414 191.905 66.6195 -88.5179 66.6201 -119.021 GPRESSURE: 3972800 -44.1635 13.9639 -57.4655 100.022 189.851 -11.5995 -58.4783 -1.21821 -156.675 PRESSAVG: 3972800 19.4586 -12.1519 -44.7195 -12.1519 -28.2878 17.7897 -44.7194 17.7896 14.9282 GPRESSAVG: 3972800 19.2057 -12.8937 -45.0506 -9.91162 -28.8943 17.1738 -42.0467 16.5235 16.0431 TIMING: 3972800 CPU: 12410.6, 0.00312036/step Wall: 12410.6, 0.00312036/step, 0.890344 hours remaining, 234.460938 MB of memory in use. ENERGY: 3972800 4016.1424 20419.5147 14531.3947 253.8055 -203047.2579 2471.6986 0.0000 0.0000 52145.5358 -109209.1663 299.6811 -161354.7020 -108843.3427 298.7164 -33.0299 -3.6627 766194.4936 2.0330 2.1182 PRESSURE: 3973000 81.4804 22.976 264.262 22.9759 205.236 64.0327 264.262 64.0333 6.84146 GPRESSURE: 3973000 226.073 71.04 315.645 63.4869 152.158 25.6267 77.2561 87.1901 -12.5487 PRESSAVG: 3973000 47.9587 -9.99402 23.202 -9.99402 -30.2972 29.6234 23.202 29.6234 14.8233 GPRESSAVG: 3973000 47.8312 -10.2421 24.3988 -9.1412 -30.5467 30.5979 21.2203 31.3763 14.5378 TIMING: 3973000 CPU: 12411.2, 0.00310651/step Wall: 12411.2, 0.00310651/step, 0.886218 hours remaining, 234.460938 MB of memory in use. ENERGY: 3973000 3971.4273 20629.2805 14485.9160 260.1410 -203463.1690 2726.8797 0.0000 0.0000 52118.6500 -109270.8745 299.5266 -161389.5245 -108915.1635 299.0054 97.8525 121.8940 764233.1875 10.8283 10.6075 PRESSURE: 3973200 278.668 40.3764 102.196 40.3773 -7.02994 72.6444 102.196 72.6454 420.827 GPRESSURE: 3973200 226.651 -13.6064 128.541 13.6822 73.3441 -33.4846 46.0226 37.0685 479.109 PRESSAVG: 3973200 -2.9461 -36.9597 9.10118 -36.9597 0.714108 -19.0705 9.10127 -19.0705 -2.69925 GPRESSAVG: 3973200 -3.07794 -36.1645 7.52645 -40.0565 1.55646 -19.2099 11.2836 -21.0723 -3.24438 TIMING: 3973200 CPU: 12411.8, 0.00309487/step Wall: 12411.8, 0.00309487/step, 0.882727 hours remaining, 234.460938 MB of memory in use. ENERGY: 3973200 4023.2718 20396.5793 14511.8121 255.8193 -203257.8170 2713.4760 0.0000 0.0000 52410.5514 -108946.3070 301.2042 -161356.8584 -108584.6064 299.5741 230.8216 259.7014 763869.7566 -1.6437 -1.5886 PRESSURE: 3973400 -413.077 -228.72 -37.7873 -228.72 -127.014 -63.575 -37.7866 -63.5738 -181.009 GPRESSURE: 3973400 -344.816 -149.68 -35.3099 -193.067 -107.822 -14.389 -46.3718 -55.1934 -194.259 PRESSAVG: 3973400 23.962 -18.1909 -2.51326 -18.1909 8.66782 -35.4485 -2.51329 -35.4486 -5.51654 GPRESSAVG: 3973400 26.0423 -17.6036 -2.68563 -16.6362 7.62953 -34.0883 -3.75899 -36.7322 -6.06274 TIMING: 3973400 CPU: 12412.4, 0.0031047/step Wall: 12412.4, 0.0031047/step, 0.885357 hours remaining, 234.460938 MB of memory in use. ENERGY: 3973400 4013.9296 20454.8647 14454.8940 226.1253 -203154.4993 2524.8055 0.0000 0.0000 52523.0429 -108956.8372 301.8506 -161479.8801 -108588.4890 299.8127 -240.3666 -215.6324 763682.7002 9.0378 9.2030 PRESSURE: 3973600 -255.207 -95.2072 -34.0425 -95.2071 94.4895 -294.668 -34.0431 -294.668 368.537 GPRESSURE: 3973600 -185.092 -80.7893 27.1566 -109.472 120.526 -210.123 -78.511 -219.121 360.812 PRESSAVG: 3973600 -19.9419 -12.5272 -18.5463 -12.5272 37.727 -13.2026 -18.5463 -13.2026 14.8231 GPRESSAVG: 3973600 -22.0903 -14.5292 -16.0117 -13.4603 39.194 -13.6615 -20.5653 -10.9387 15.1426 TIMING: 3973600 CPU: 12413, 0.00311273/step Wall: 12413, 0.00311273/step, 0.887475 hours remaining, 234.460938 MB of memory in use. ENERGY: 3973600 4000.9246 20675.3282 14474.5274 246.6670 -203079.2786 2769.8111 0.0000 0.0000 52004.0558 -108907.9646 298.8680 -160912.0204 -108551.8266 299.7433 69.2732 98.7485 764120.4687 10.8694 10.7488 PRESSURE: 3973800 6.60418 -123.532 -40.7327 -123.532 -343.695 76.6876 -40.7324 76.6876 -29.9396 GPRESSURE: 3973800 15.51 -126.592 -80.4916 3.4472 -275.647 67.1485 76.1834 -35.9349 -27.5431 PRESSAVG: 3973800 8.78917 -13.1999 19.5384 -13.1998 -11.6768 -3.91324 19.5384 -3.91322 -7.06808 GPRESSAVG: 3973800 8.9862 -13.1734 18.4808 -12.1081 -12.1258 -3.75135 22.9982 -7.64035 -6.24315 TIMING: 3973800 CPU: 12413.7, 0.00308691/step Wall: 12413.7, 0.00308691/step, 0.879941 hours remaining, 234.460938 MB of memory in use. ENERGY: 3973800 4004.1665 20536.5250 14496.4998 244.4590 -202948.9940 2712.9077 0.0000 0.0000 51989.4818 -108964.9542 298.7843 -160954.4360 -108610.8925 299.7639 -122.3436 -95.8935 763074.2496 -3.3186 -3.1276 PRESSURE: 3974000 -348.724 -158.874 -100.993 -158.874 -373.504 -94.6279 -100.994 -94.628 335.645 GPRESSURE: 3974000 -245.16 -96.9333 -55.195 -130.677 -338.069 -115.654 -16.1139 65.0309 284.909 PRESSAVG: 3974000 -23.0224 -89.7187 58.7277 -89.7186 -22.3162 -32.7236 58.7277 -32.7236 -4.49459 GPRESSAVG: 3974000 -24.2571 -88.9893 57.7778 -88.0345 -20.5406 -33.7916 59.8452 -30.182 -4.88775 TIMING: 3974000 CPU: 12414.3, 0.00310261/step Wall: 12414.3, 0.00310261/step, 0.884244 hours remaining, 234.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3974000 3967.3405 20454.7095 14429.9889 242.7539 -202777.1237 2393.9319 0.0000 0.0000 52159.8091 -109128.5900 299.7631 -161288.3991 -108751.3187 299.1930 -128.8609 -99.4401 762906.1207 -16.6111 -16.5618 PRESSURE: 3974200 -15.671 93.7624 81.4042 93.7634 199.292 -353.013 81.4046 -353.013 -177.453 GPRESSURE: 3974200 29.9789 62.8276 125.258 127.585 180.173 -280.864 -105.899 -208.945 -125.161 PRESSAVG: 3974200 14.069 -64.2197 37.4547 -64.2197 3.91451 -1.42333 37.4546 -1.4234 -13.0725 GPRESSAVG: 3974200 15.0717 -65.3589 38.4402 -64.7162 2.4437 -1.749 34.8841 0.413326 -12.9617 TIMING: 3974200 CPU: 12414.9, 0.0031014/step Wall: 12414.9, 0.0031014/step, 0.883726 hours remaining, 234.460938 MB of memory in use. ENERGY: 3974200 4010.1330 20438.2008 14631.6266 241.9723 -203352.7479 2795.5480 0.0000 0.0000 52213.3181 -109021.9490 300.0707 -161235.2671 -108647.5259 299.4734 2.0563 28.3303 762388.7368 1.6370 1.5179 PRESSURE: 3974400 -12.0429 -241.718 -46.3466 -241.718 -210.735 14.4588 -46.3462 14.4591 121.259 GPRESSURE: 3974400 57.9571 -162.938 -31.6609 -276.228 -154.721 83.7465 -40.4937 -122.551 103.064 PRESSAVG: 3974400 -47.9464 -58.0987 36.6131 -58.0987 34.4973 46.7358 36.6131 46.7358 -1.5867 GPRESSAVG: 3974400 -46.8716 -56.5938 35.9708 -59.7947 33.3076 46.7977 38.4906 46.3587 -0.808773 TIMING: 3974400 CPU: 12415.5, 0.00311603/step Wall: 12415.5, 0.00311603/step, 0.887722 hours remaining, 234.460938 MB of memory in use. ENERGY: 3974400 3939.7372 20576.5331 14547.0152 225.7505 -203226.6213 2613.2275 0.0000 0.0000 52158.5511 -109165.8067 299.7559 -161324.3577 -108797.5838 299.4482 -33.8396 2.1000 762172.7964 -5.0119 -4.7909 PRESSURE: 3974600 -149.423 -159.96 333.399 -159.96 166.404 -101.999 333.398 -101.999 72.5277 GPRESSURE: 3974600 -71.2376 -198.595 325.154 -129.281 103.826 -18.285 295.963 -39.3715 130.306 PRESSAVG: 3974600 26.3264 -63.8864 -7.97334 -63.8864 -33.9582 -18.0257 -7.9733 -18.0257 -25.0482 GPRESSAVG: 3974600 26.4866 -63.8988 -7.52622 -64.439 -33.0685 -17.8443 -7.80671 -22.0456 -26.3678 TIMING: 3974600 CPU: 12416.2, 0.00310835/step Wall: 12416.2, 0.00310835/step, 0.885361 hours remaining, 234.460938 MB of memory in use. ENERGY: 3974600 3991.5806 20705.8530 14465.3065 263.5456 -203620.5774 2640.8152 0.0000 0.0000 52053.3934 -109500.0833 299.1516 -161553.4767 -109135.9586 299.3317 29.8364 54.2981 761683.0507 -10.8933 -10.9832 PRESSURE: 3974800 -2.26637 55.0264 -142.77 55.0268 414.748 137.779 -142.771 137.778 21.8944 GPRESSURE: 3974800 -14.2571 149.109 -187.372 -2.2914 443.77 119.976 -57.5595 157.52 87.2647 PRESSAVG: 3974800 -20.0746 -56.8711 0.209621 -56.8711 -11.3862 4.41625 0.209601 4.41628 -24.0831 GPRESSAVG: 3974800 -21.6896 -58.2256 -0.194949 -55.186 -10.8957 3.93281 0.501455 10.0322 -23.4695 TIMING: 3974800 CPU: 12416.8, 0.00311349/step Wall: 12416.8, 0.00311349/step, 0.886654 hours remaining, 234.460938 MB of memory in use. ENERGY: 3974800 3973.6719 20672.9982 14570.1763 230.4460 -203711.7839 3059.4583 0.0000 0.0000 51800.2074 -109404.8257 297.6965 -161205.0332 -109047.0122 298.6892 144.7919 172.2591 764032.9874 -18.5146 -18.6849 PRESSURE: 3975000 51.2573 67.5598 -76.5849 67.5589 52.9324 136.019 -76.5856 136.019 -405.836 GPRESSURE: 3975000 23.5772 -68.6335 -53.6939 129.089 151.174 73.2195 -51.2899 -50.4045 -396.613 PRESSAVG: 3975000 -6.39059 -59.283 37.1894 -59.2831 23.55 -17.2002 37.1893 -17.2001 -1.97674 GPRESSAVG: 3975000 -5.26671 -59.1442 37.7049 -59.5677 22.8505 -16.4254 35.9942 -20.4315 -2.67498 TIMING: 3975000 CPU: 12417.4, 0.00311171/step Wall: 12417.4, 0.00311171/step, 0.885972 hours remaining, 234.460938 MB of memory in use. ENERGY: 3975000 3936.3210 20519.8135 14601.6110 259.5278 -203824.9598 2839.4044 0.0000 0.0000 52158.3997 -109509.8824 299.7550 -161668.2821 -109138.2122 298.9119 -100.5487 -73.9541 762768.4985 5.0609 4.9696 PRESSURE: 3975200 -40.7688 117.952 -73.7834 117.951 -250.97 -82.5708 -73.7841 -82.5713 -270.268 GPRESSURE: 3975200 -63.8229 20.4101 -31.0831 71.2102 -255.803 -73.6715 -80.5867 -12.1241 -177.324 PRESSAVG: 3975200 -0.926075 -44.0452 -11.464 -44.0452 28.0189 -25.5909 -11.4639 -25.5909 -10.2659 GPRESSAVG: 3975200 -2.88426 -42.3499 -11.2918 -45.8795 29.3515 -26.2142 -13.0709 -26.0941 -9.2191 TIMING: 3975200 CPU: 12418, 0.00310085/step Wall: 12418, 0.00310085/step, 0.882708 hours remaining, 234.460938 MB of memory in use. ENERGY: 3975200 3958.6998 20523.7012 14461.8706 265.3350 -203199.4766 2660.9088 0.0000 0.0000 51849.4206 -109479.5406 297.9793 -161328.9613 -109127.0635 298.7734 -187.3358 -165.6499 763207.9716 5.6090 5.7494 PRESSURE: 3975400 398.462 8.37032 -358.187 8.37027 222.125 22.6408 -358.187 22.64 -342.854 GPRESSURE: 3975400 520.42 -17.07 -260.465 -46.9972 149.811 -11.0819 -283.485 17.0156 -322.628 PRESSAVG: 3975400 13.0006 17.2755 3.1616 17.2755 -68.688 -44.9788 3.16159 -44.9789 8.25415 GPRESSAVG: 3975400 14.1346 15.4881 2.94745 17.6699 -69.5377 -43.9568 2.4453 -45.0244 7.88701 TIMING: 3975400 CPU: 12418.6, 0.00309997/step Wall: 12418.6, 0.00309997/step, 0.882287 hours remaining, 234.460938 MB of memory in use. ENERGY: 3975400 3972.3998 20577.3977 14476.6102 251.2586 -203566.6302 2779.7862 0.0000 0.0000 51987.2475 -109521.9303 298.7714 -161509.1777 -109147.5228 299.0832 92.5778 115.8676 764001.1434 -15.8111 -15.8387 PRESSURE: 3975600 37.3958 127.262 206.456 127.263 -21.7341 -110.152 206.455 -110.151 291.545 GPRESSURE: 3975600 122.155 55.4267 114.374 119.575 41.8382 -120.995 272.591 51.1303 231.69 PRESSAVG: 3975600 -0.822374 14.2526 23.6165 14.2526 -42.1296 -3.02133 23.6164 -3.02134 15.3928 GPRESSAVG: 3975600 -1.26567 16.5143 24.42 14.3062 -41.1649 -3.70782 25.2015 -1.46227 15.197 TIMING: 3975600 CPU: 12419.3, 0.00309775/step Wall: 12419.3, 0.00309775/step, 0.881483 hours remaining, 234.460938 MB of memory in use. ENERGY: 3975600 4043.0372 20398.8326 14504.1812 237.0263 -203330.1834 2724.2563 0.0000 0.0000 52004.2313 -109418.6185 298.8690 -161422.8498 -109059.8457 298.7384 102.4021 131.8943 762433.3806 -9.1864 -9.0779 PRESSURE: 3975800 -205.109 -83.0569 -95.9187 -83.0572 -88.6556 174.341 -95.9182 174.341 107.594 GPRESSURE: 3975800 -215.733 -35.5013 -109.039 -34.8181 -39.9223 217.772 -132.932 5.13363 148.307 PRESSAVG: 3975800 -37.042 -24.7209 21.4361 -24.7209 71.1617 -16.1473 21.4361 -16.1473 -9.0387 GPRESSAVG: 3975800 -36.9679 -24.5177 21.9448 -24.0902 71.258 -17.0718 21.8377 -16.4253 -8.81798 TIMING: 3975800 CPU: 12419.9, 0.00310458/step Wall: 12419.9, 0.00310458/step, 0.883252 hours remaining, 234.460938 MB of memory in use. ENERGY: 3975800 4007.6888 20558.9341 14490.0403 242.9409 -203082.5389 2368.7771 0.0000 0.0000 51923.8623 -109490.2954 298.4072 -161414.1577 -109136.8563 298.9577 -62.0569 -35.7829 763720.3531 8.3603 8.4907 PRESSURE: 3976000 -382.633 36.6848 61.7405 36.6848 23.8611 -87.1545 61.741 -87.1551 -141.997 GPRESSURE: 3976000 -293.047 19.7047 42.663 88.3823 3.8681 -20.6578 106.093 -41.137 -127.143 PRESSAVG: 3976000 -11.1943 -21.9512 47.9541 -21.9512 -12.2952 -27.0005 47.954 -27.0005 3.64314 GPRESSAVG: 3976000 -9.66309 -22.0742 47.0164 -21.8199 -12.1232 -25.554 48.6004 -24.8944 2.09675 TIMING: 3976000 CPU: 12420.5, 0.00311412/step Wall: 12420.5, 0.00311412/step, 0.885793 hours remaining, 234.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3976000 4051.8806 20595.8003 14442.8503 232.0334 -203318.1351 2656.5597 0.0000 0.0000 51939.6096 -109399.4011 298.4977 -161339.0107 -109039.7454 298.7647 -166.9231 -138.7738 762953.7925 -6.6155 -6.5632 PRESSURE: 3976200 4.5408 -58.2274 -65.0972 -58.227 225.545 37.4931 -65.0975 37.4946 166.483 GPRESSURE: 3976200 43.7213 -49.0362 -198.021 -33.7114 229.186 -78.1496 -97.8169 114.655 198.634 PRESSAVG: 3976200 -61.7602 -16.0526 -24.9108 -16.0526 40.7974 -8.34618 -24.9108 -8.34614 28.4284 GPRESSAVG: 3976200 -62.2958 -16.5914 -25.4599 -17.2514 40.8625 -8.54015 -24.4793 -10.1276 28.9369 TIMING: 3976200 CPU: 12421.1, 0.00310803/step Wall: 12421.1, 0.00310803/step, 0.88389 hours remaining, 234.460938 MB of memory in use. ENERGY: 3976200 4043.2012 20563.7281 14461.5473 219.8476 -203312.5049 2714.0412 0.0000 0.0000 51954.4296 -109355.7098 298.5828 -161310.1394 -109004.3498 299.0705 132.1895 157.1804 764427.3943 2.4885 2.5012 LDB: ============= START OF LOAD BALANCING ============== 12433.6 LDB: ============== END OF LOAD BALANCING =============== 12433.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12433.6 LDB: ============= START OF LOAD BALANCING ============== 12433.9 LDB: Largest compute 7065 load 0.028210 is 14.4% of average load 0.195263 LDB: Average compute 0.004392 is 2.2% of average load 0.195263 LDB: TIME 12433.9 LOAD: AVG 0.195263 MAX 0.215396 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.52 MB LDB: TIME 12433.9 LOAD: AVG 0.195263 MAX 0.215396 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.523 MB LDB: TIME 12433.9 LOAD: AVG 0.195263 MAX 0.215396 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.523 MB LDB: ============== END OF LOAD BALANCING =============== 12433.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12433.9 PRESSURE: 3976400 -279.649 -15.557 -116.982 -15.5578 -115.508 -61.1434 -116.984 -61.1435 -57.1731 GPRESSURE: 3976400 -213.029 72.3181 -136.018 -83.8543 -84.2764 -2.59873 -69.3396 13.5582 -75.7336 PRESSAVG: 3976400 -4.55252 21.1429 -34.753 21.143 -10.6028 54.5618 -34.753 54.5619 -9.22375 GPRESSAVG: 3976400 -5.92634 19.3416 -33.4061 21.4099 -10.4503 53.8526 -37.3448 54.4902 -8.59505 TIMING: 3976400 CPU: 12421.8, 0.00318594/step Wall: 12421.8, 0.00318594/step, 0.905869 hours remaining, 233.750000 MB of memory in use. ENERGY: 3976400 4028.6125 20516.3392 14470.4302 252.1777 -203211.5071 2601.9821 0.0000 0.0000 51965.6155 -109376.3498 298.6471 -161341.9654 -109013.2849 298.7146 -150.7769 -124.3462 762553.1097 -8.1264 -8.3239 PRESSURE: 3976600 33.3236 -32.3911 33.4191 -32.3899 181.998 4.83266 33.4194 4.83167 -147.15 GPRESSURE: 3976600 160.266 38.4895 76.2562 -63.8597 80.8126 -13.7998 7.39369 117.042 -98.4003 PRESSAVG: 3976600 -22.7864 26.0879 -31.8424 26.088 45.8571 -16.1808 -31.8424 -16.1808 11.2882 GPRESSAVG: 3976600 -21.2429 29.0535 -34.3547 25.5596 43.7672 -15.6299 -31.5049 -16.0918 12.0011 TIMING: 3976600 CPU: 12422.4, 0.00311233/step Wall: 12422.4, 0.00311233/step, 0.884767 hours remaining, 233.750000 MB of memory in use. ENERGY: 3976600 4057.0630 20420.8750 14428.2580 256.0222 -202961.2316 2509.7030 0.0000 0.0000 52055.5977 -109233.7126 299.1642 -161289.3103 -108871.1042 298.4693 22.7238 47.5593 763701.6845 11.4530 11.5084 PRESSURE: 3976800 -149.213 -39.8295 -234.168 -39.8297 -69.5992 260.463 -234.169 260.463 -318.843 GPRESSURE: 3976800 -195.648 -129.188 -258.733 -67.7531 53.8207 193.701 -211.943 250.322 -301.759 PRESSAVG: 3976800 -40.0067 -27.875 -39.9245 -27.8751 26.6579 -33.1709 -39.9245 -33.1709 -1.30914 GPRESSAVG: 3976800 -40.8949 -30.9494 -39.515 -27.199 27.3598 -33.6457 -39.7267 -32.3237 -1.65831 TIMING: 3976800 CPU: 12423, 0.00311751/step Wall: 12423, 0.00311751/step, 0.886065 hours remaining, 233.750000 MB of memory in use. ENERGY: 3976800 3973.9629 20645.5443 14481.2785 251.4079 -203217.9870 2726.1767 0.0000 0.0000 52033.7728 -109105.8439 299.0388 -161139.6168 -108741.7391 299.2120 -179.2181 -147.8623 763050.5618 -4.8860 -5.0645 PRESSURE: 3977000 259.131 -50.4092 -125.302 -50.4088 -232.919 1.07184 -125.302 1.07101 41.1376 GPRESSURE: 3977000 317.284 9.54507 -108.748 90.8355 -148.727 -115.191 -181.376 -58.7209 -12.5256 PRESSAVG: 3977000 -33.5387 -80.7911 -21.5146 -80.7911 60.6706 -34.032 -21.5146 -34.032 -14.8283 GPRESSAVG: 3977000 -32.3643 -79.0812 -20.5258 -78.778 58.5656 -34.2346 -21.3786 -36.776 -13.7663 TIMING: 3977000 CPU: 12423.6, 0.00311388/step Wall: 12423.6, 0.00311388/step, 0.88486 hours remaining, 233.750000 MB of memory in use. ENERGY: 3977000 3902.3950 20595.0049 14460.0735 259.2501 -203117.2319 2653.3493 0.0000 0.0000 52331.2305 -108915.9285 300.7483 -161247.1590 -108551.1776 299.4561 22.4496 52.0107 762505.7275 4.1012 4.1450 PRESSURE: 3977200 -356.032 149.076 -174.269 149.075 -92.1432 31.4254 -174.269 31.4257 5.80671 GPRESSURE: 3977200 -279.199 88.8793 -167.264 139.907 -84.223 152.664 -39.6897 78.6711 -0.949434 PRESSAVG: 3977200 44.1159 -33.3944 35.4459 -33.3944 -45.7172 -48.5398 35.4459 -48.5398 -4.68755 GPRESSAVG: 3977200 43.871 -32.9926 35.5059 -33.8751 -43.9534 -48.407 34.1994 -46.6034 -5.64014 TIMING: 3977200 CPU: 12424.3, 0.00313338/step Wall: 12424.3, 0.00313338/step, 0.890227 hours remaining, 233.750000 MB of memory in use. ENERGY: 3977200 3977.7984 20723.7098 14438.6508 240.0822 -203415.6801 2796.8039 0.0000 0.0000 52236.7938 -109001.8413 300.2056 -161238.6350 -108643.0944 299.2720 -147.4562 -121.4571 762028.9298 -2.0963 -1.9075 PRESSURE: 3977400 9.17438 177.425 -34.7761 177.425 -162.476 -56.0126 -34.7758 -56.0124 -388.603 GPRESSURE: 3977400 -20.0303 43.6178 -20.6043 159.626 -66.9685 -32.8498 -122.177 -103.422 -375.416 PRESSAVG: 3977400 -17.3296 -0.141767 63.5039 -0.141807 29.9597 -26.3521 63.5038 -26.3521 -3.71831 GPRESSAVG: 3977400 -17.3531 -0.316934 63.7232 -0.864242 30.9759 -26.0796 65.5024 -25.9725 -4.46663 TIMING: 3977400 CPU: 12424.9, 0.00314083/step Wall: 12424.9, 0.00314083/step, 0.892169 hours remaining, 233.750000 MB of memory in use. ENERGY: 3977400 3980.1392 20581.4930 14399.4920 253.1339 -202846.6052 2406.6741 0.0000 0.0000 52072.4532 -109153.2198 299.2611 -161225.6730 -108796.0435 298.9587 -180.6348 -154.1384 762118.3674 2.9706 3.0521 PRESSURE: 3977600 -190.046 -32.7485 -82.2498 -32.7486 -287.892 -18.3453 -82.2506 -18.3445 -299.965 GPRESSURE: 3977600 -141.293 -45.3041 -23.6119 -111.71 -206.114 47.8843 -52.808 70.7569 -333.03 PRESSAVG: 3977600 66.8775 -12.1544 4.43342 -12.1544 -15.1611 21.351 4.43332 21.3509 8.02526 GPRESSAVG: 3977600 65.7073 -10.9736 4.39335 -14.0843 -14.872 21.1326 3.18046 21.3228 8.83885 TIMING: 3977600 CPU: 12425.5, 0.00310729/step Wall: 12425.5, 0.00310729/step, 0.88247 hours remaining, 233.750000 MB of memory in use. ENERGY: 3977600 3938.3840 20535.2430 14515.8053 229.4342 -202618.1320 2444.4877 0.0000 0.0000 51888.4369 -109066.3409 298.2036 -160954.7778 -108704.0186 299.3549 -259.3009 -226.8127 763430.5788 19.9139 19.8914 PRESSURE: 3977800 248.636 74.3535 15.874 74.3538 -325.299 139.717 15.8743 139.717 -197.272 GPRESSURE: 3977800 143.432 -28.1668 117.2 6.7054 -144.803 209.858 71.1972 66.3887 -191.809 PRESSAVG: 3977800 36.4332 -13.4643 -7.30774 -13.4643 -21.2932 59.7429 -7.30767 59.7429 1.31529 GPRESSAVG: 3977800 36.9335 -14.8443 -5.45613 -11.9431 -21.714 61.3789 -6.80629 60.0653 1.68324 TIMING: 3977800 CPU: 12426.1, 0.00312159/step Wall: 12426.1, 0.00312159/step, 0.886359 hours remaining, 233.750000 MB of memory in use. ENERGY: 3977800 4051.7814 20560.0073 14462.5173 238.7286 -202922.0577 2420.9099 0.0000 0.0000 52153.7406 -109034.3725 299.7283 -161188.1131 -108669.1524 299.3832 -91.3117 -64.3934 762607.2439 5.4851 5.6342 PRESSURE: 3978000 172.09 167.977 96.0119 167.977 24.0536 -110.267 96.0125 -110.267 173.13 GPRESSURE: 3978000 217.913 139.978 59.8889 108.646 43.2441 -103.544 -72.8411 -98.0303 200.329 PRESSAVG: 3978000 17.925 4.10998 -14.3036 4.10997 -15.296 -6.94662 -14.3036 -6.9466 -0.964555 GPRESSAVG: 3978000 17.7521 5.05665 -15.7593 3.88515 -15.1588 -7.99434 -15.3984 -8.18979 -1.13855 TIMING: 3978000 CPU: 12426.7, 0.0031036/step Wall: 12426.7, 0.0031036/step, 0.881077 hours remaining, 233.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3978000 3987.3496 20473.1890 14513.2665 238.0115 -203504.5840 2875.2213 0.0000 0.0000 52353.1431 -109064.4030 300.8742 -161417.5461 -108694.0982 299.7313 123.0911 153.8286 761675.3351 0.5548 0.4849 PRESSURE: 3978200 -37.3595 -69.4107 -169.772 -69.4109 -12.8888 85.4177 -169.772 85.4178 -218.431 GPRESSURE: 3978200 9.64768 -68.884 -187.841 -103.206 56.2672 115.581 -138.121 150.945 -259.711 PRESSAVG: 3978200 -21.7171 -40.1144 -17.945 -40.1144 39.3687 -12.9044 -17.945 -12.9045 -15.548 GPRESSAVG: 3978200 -20.5937 -40.9158 -18.9813 -39.5674 38.8281 -11.9055 -17.957 -12.6991 -16.4532 TIMING: 3978200 CPU: 12427.4, 0.00309716/step Wall: 12427.4, 0.00309716/step, 0.879078 hours remaining, 233.750000 MB of memory in use. ENERGY: 3978200 3991.5682 20588.9289 14470.7722 246.4096 -203335.7434 2768.2015 0.0000 0.0000 52080.3292 -109189.5337 299.3064 -161269.8629 -108824.5712 299.6367 -89.5597 -64.5988 762647.9214 0.7012 0.5937 PRESSURE: 3978400 -1.09537 52.9257 -206.174 52.9257 -112.721 100.516 -206.173 100.516 -202.034 GPRESSURE: 3978400 -28.1681 22.0722 -31.2859 -8.84764 -40.8427 96.0785 -281.19 78.4658 -168.652 PRESSAVG: 3978400 30.5792 28.9399 -20.9078 28.9399 -23.242 18.2773 -20.9078 18.2774 4.66271 GPRESSAVG: 3978400 28.7281 28.4736 -21.7277 26.8429 -22.1211 18.2611 -19.0424 17.9206 5.13043 TIMING: 3978400 CPU: 12428, 0.00310358/step Wall: 12428, 0.00310358/step, 0.880726 hours remaining, 233.750000 MB of memory in use. ENERGY: 3978400 4019.7537 20565.3361 14524.2275 249.1684 -202767.0045 2416.0847 0.0000 0.0000 52226.4820 -108765.9521 300.1463 -160992.4341 -108409.4638 300.3056 -105.2837 -79.2210 763437.7084 4.0000 3.9125 PRESSURE: 3978600 58.5614 215.961 200.746 215.961 60.5922 147.941 200.746 147.941 170.701 GPRESSURE: 3978600 68.5059 123.185 202.908 215.357 122.877 120.665 156.501 -11.5284 164.762 PRESSAVG: 3978600 34.4723 -8.50217 20.041 -8.5022 -38.4038 34.3547 20.041 34.3547 26.7694 GPRESSAVG: 3978600 35.459 -9.46802 20.9289 -7.18404 -38.6142 32.6995 19.2196 34.7792 26.1033 TIMING: 3978600 CPU: 12428.6, 0.00310495/step Wall: 12428.6, 0.00310495/step, 0.880944 hours remaining, 233.750000 MB of memory in use. ENERGY: 3978600 3995.7110 20489.9057 14465.4794 253.1188 -203092.7505 2625.2072 0.0000 0.0000 52282.6649 -108980.6634 300.4692 -161263.3283 -108607.7336 300.2030 96.6182 118.7149 762653.3482 7.6127 7.6493 PRESSURE: 3978800 12.2739 19.2464 -47.0773 19.2459 -124.877 369.093 -47.0769 369.094 112.745 GPRESSURE: 3978800 109.025 -133.881 -42.0395 -22.5346 -112.421 315.574 -55.3477 222.339 94.88 PRESSAVG: 3978800 13.1252 23.5642 37.9608 23.5642 0.645699 -48.9518 37.9608 -48.9519 -13.6365 GPRESSAVG: 3978800 12.3543 24.8769 38.0222 24.3616 0.742682 -47.4114 38.7486 -49.7785 -13.2175 TIMING: 3978800 CPU: 12429.2, 0.00309365/step Wall: 12429.2, 0.00309365/step, 0.877565 hours remaining, 233.750000 MB of memory in use. ENERGY: 3978800 4131.0139 20589.6337 14509.0531 234.8653 -203199.8048 2812.2913 0.0000 0.0000 52067.7488 -108855.1988 299.2341 -160922.9477 -108497.7659 299.8890 0.0475 30.4947 763644.5416 0.0448 -0.0402 PRESSURE: 3979000 -256.662 1.99142 58.0708 1.99129 73.1737 -83.145 58.0702 -83.1454 -277.184 GPRESSURE: 3979000 -239.445 -13.8235 123.388 -42.7727 104.538 -93.8152 50.0895 -68.2465 -243.181 PRESSAVG: 3979000 62.4331 -31.1331 23.5127 -31.1331 -59.9929 -45.6939 23.5127 -45.6939 11.0346 GPRESSAVG: 3979000 64.193 -30.7664 23.343 -33.3853 -62.1472 -46.7366 22.0557 -45.8817 11.5961 TIMING: 3979000 CPU: 12429.8, 0.00309408/step Wall: 12429.8, 0.00309408/step, 0.877515 hours remaining, 233.750000 MB of memory in use. ENERGY: 3979000 3985.2352 20576.6052 14473.3657 276.3940 -203240.6754 2877.7859 0.0000 0.0000 52215.9982 -108835.2912 300.0861 -161051.2893 -108461.5159 299.7992 -153.5574 -126.0291 763506.4096 4.4916 4.5473 PRESSURE: 3979200 -345.846 101.312 239.214 101.312 -473.861 19.9555 239.214 19.9547 -17.4357 GPRESSURE: 3979200 -327.665 35.054 249.236 168.559 -306.744 -40.9635 284.792 -47.8053 -94.4383 PRESSAVG: 3979200 -41.5016 -36.1093 3.94345 -36.1094 50.135 -20.0447 3.94344 -20.0447 6.84079 GPRESSAVG: 3979200 -43.1111 -36.3804 4.41043 -33.6413 51.2052 -21.4865 6.22682 -20.2899 7.2896 TIMING: 3979200 CPU: 12430.5, 0.00311135/step Wall: 12430.5, 0.00311135/step, 0.882241 hours remaining, 233.750000 MB of memory in use. ENERGY: 3979200 4042.3058 20592.0290 14525.0564 270.8071 -203172.4030 2599.9727 0.0000 0.0000 52225.3536 -108916.8784 300.1398 -161142.2320 -108550.4052 300.0417 -279.0476 -242.9493 762586.1204 5.1581 5.1279 PRESSURE: 3979400 -151.266 -20.0723 -30.5959 -20.0723 -155.112 -109.004 -30.596 -109.003 -246.888 GPRESSURE: 3979400 -135.101 51.074 -126.891 -64.5362 -190.612 -25.4869 -148.523 -99.4081 -155.657 PRESSAVG: 3979400 -2.3746 45.8009 13.5727 45.801 -7.76906 -2.35411 13.5727 -2.35414 3.36506 GPRESSAVG: 3979400 -1.55743 44.788 11.4494 45.3759 -7.86847 0.0276811 13.4509 1.90692 2.38324 TIMING: 3979400 CPU: 12431.1, 0.00311466/step Wall: 12431.1, 0.00311466/step, 0.883007 hours remaining, 233.750000 MB of memory in use. ENERGY: 3979400 3991.0906 20620.9415 14438.6703 224.8983 -202823.3730 2335.5345 0.0000 0.0000 52266.7964 -108945.4413 300.3780 -161212.2377 -108578.3485 300.0738 -184.4220 -160.4565 763227.2071 -2.2595 -2.3476 PRESSURE: 3979600 -58.9557 -153.8 -234.371 -153.8 27.654 60.5887 -234.37 60.5876 338.619 GPRESSURE: 3979600 33.9985 -237.986 -167.783 -97.2915 -20.5817 90.7898 -127.922 -4.85478 370.889 PRESSAVG: 3979600 -32.2604 25.2245 -59.0979 25.2245 62.4362 -26.4334 -59.0979 -26.4333 -0.873971 GPRESSAVG: 3979600 -33.0385 25.119 -57.857 25.401 63.0226 -26.7506 -60.2467 -29.2883 -0.732102 TIMING: 3979600 CPU: 12431.7, 0.00312416/step Wall: 12431.7, 0.00312416/step, 0.885525 hours remaining, 233.750000 MB of memory in use. ENERGY: 3979600 4009.5991 20620.5915 14466.7657 225.3471 -203381.1269 2663.4666 0.0000 0.0000 52407.8759 -108987.4811 301.1888 -161395.3570 -108622.3242 300.1286 102.4390 128.1019 761315.5299 9.7673 9.7507 PRESSURE: 3979800 -30.8372 -51.4717 -92.6985 -51.4714 -166.263 17.5111 -92.6986 17.5111 -336.114 GPRESSURE: 3979800 39.7956 -74.3574 -73.0559 -121.334 -146.925 -5.25609 -82.3598 -20.3628 -353.577 PRESSAVG: 3979800 5.87742 -18.3131 -10.8709 -18.3131 -5.06963 16.677 -10.8709 16.6769 12.137 GPRESSAVG: 3979800 6.72921 -17.9021 -10.4508 -19.3758 -5.91341 16.6734 -9.92857 17.0831 12.7093 TIMING: 3979800 CPU: 12432.3, 0.00311443/step Wall: 12432.3, 0.00311443/step, 0.882595 hours remaining, 233.750000 MB of memory in use. ENERGY: 3979800 3982.3663 20495.7413 14481.0201 253.8120 -203269.0417 2741.7783 0.0000 0.0000 52381.2585 -108933.0652 301.0358 -161314.3236 -108572.4064 299.4199 -177.7379 -153.5685 763408.8364 4.3149 4.5084 PRESSURE: 3980000 -200.772 -56.2482 -53.6726 -56.2483 -203.961 -108.566 -53.6722 -108.565 -254.54 GPRESSURE: 3980000 -193.921 -125.592 -140.884 132.578 -225.059 -116.814 -11.0279 -111.463 -160.641 PRESSAVG: 3980000 -43.4101 -26.0101 -23.9242 -26.0101 38.6975 -10.6516 -23.9242 -10.6516 26.4661 GPRESSAVG: 3980000 -43.076 -26.4976 -23.9092 -25.28 39.1921 -11.6813 -24.6584 -10.7785 26.4544 TIMING: 3980000 CPU: 12433, 0.00311902/step Wall: 12433, 0.00311902/step, 0.883723 hours remaining, 233.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3980000 3967.2192 20538.4815 14536.5993 265.6877 -202757.7626 2365.5698 0.0000 0.0000 52392.2673 -108691.9379 301.0991 -161084.2052 -108331.9003 300.0608 -219.7576 -193.2068 764615.2423 7.2512 7.5235 PRESSURE: 3980200 -55.5248 -33.0379 -22.749 -33.0381 132.927 -140.351 -22.7489 -140.351 261.833 GPRESSURE: 3980200 97.5786 34.1625 -30.4508 4.12276 131.815 -92.0201 -73.4061 -170.314 195.231 PRESSAVG: 3980200 -4.71488 34.0075 26.698 34.0075 36.0247 -43.7739 26.698 -43.7739 -1.33294 GPRESSAVG: 3980200 -2.8616 34.7843 26.0127 33.3209 34.9547 -42.8888 27.2352 -44.2033 -2.25791 TIMING: 3980200 CPU: 12433.6, 0.0031184/step Wall: 12433.6, 0.0031184/step, 0.883374 hours remaining, 233.750000 MB of memory in use. ENERGY: 3980200 4010.5966 20643.7572 14469.3346 251.7716 -202636.8583 2541.4538 0.0000 0.0000 52114.0579 -108605.8866 299.5002 -160719.9445 -108236.7787 300.2993 113.0786 141.5413 763740.4693 9.9923 9.9451 LDB: ============= START OF LOAD BALANCING ============== 12446.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12446.1 LDB: =============== DONE WITH MIGRATION ================ 12446.1 LDB: ============= START OF LOAD BALANCING ============== 12446.4 LDB: Largest compute 7003 load 0.028741 is 14.7% of average load 0.195344 LDB: Average compute 0.004400 is 2.3% of average load 0.195344 LDB: TIME 12446.4 LOAD: AVG 0.195344 MAX 0.212678 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.324 MB LDB: TIME 12446.4 LOAD: AVG 0.195344 MAX 0.212678 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.324 MB LDB: TIME 12446.4 LOAD: AVG 0.195344 MAX 0.212678 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.324 MB LDB: ============== END OF LOAD BALANCING =============== 12446.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12446.4 PRESSURE: 3980400 293.108 205.216 -141.801 205.216 -8.67611 -121.484 -141.8 -121.483 -114.781 GPRESSURE: 3980400 262.863 126.863 -120.383 165.992 34.0504 -127.301 -89.8959 -207.642 -43.0142 PRESSAVG: 3980400 77.7715 -13.7798 52.4183 -13.7798 -51.8134 21.1023 52.4184 21.1023 0.48683 GPRESSAVG: 3980400 74.9645 -13.919 51.976 -10.7012 -50.8162 20.1958 51.2497 20.4207 1.52347 TIMING: 3980400 CPU: 12434.2, 0.00318602/step Wall: 12434.2, 0.00318602/step, 0.90235 hours remaining, 234.191406 MB of memory in use. ENERGY: 3980400 3988.3174 20600.1259 14518.3561 231.4377 -202509.5678 2325.4506 0.0000 0.0000 52056.9934 -108788.8869 299.1723 -160845.8803 -108431.0602 300.0900 56.5502 84.6330 762770.2937 8.8150 8.5573 PRESSURE: 3980600 -234.876 117.941 109.972 117.942 -265.657 200 109.972 200.001 -150.337 GPRESSURE: 3980600 -171.264 18.9101 113.963 94.9358 -229.257 242.158 262.51 186.487 -167.545 PRESSAVG: 3980600 2.85251 6.49548 -48.0295 6.49548 -22.2019 -7.23606 -48.0295 -7.236 5.67102 GPRESSAVG: 3980600 4.37539 4.778 -47.7396 5.28518 -22.8662 -6.20617 -47.3826 -6.04999 5.55671 TIMING: 3980600 CPU: 12434.8, 0.00311519/step Wall: 12434.8, 0.00311519/step, 0.882118 hours remaining, 234.261719 MB of memory in use. ENERGY: 3980600 3986.8172 20552.3988 14492.1006 253.3308 -202835.8763 2441.8788 0.0000 0.0000 52154.7950 -108954.5553 299.7343 -161109.3502 -108585.5384 299.9426 -216.9568 -189.3551 764844.2061 -4.5595 -4.3114 PRESSURE: 3980800 -267.368 -117.536 37.8648 -117.536 244.576 -180.518 37.8652 -180.518 145.132 GPRESSURE: 3980800 -128.798 -152.381 60.4512 -158.528 146.752 -123.873 49.9922 -204.748 177.175 PRESSAVG: 3980800 -76.934 36.1346 -14.3493 36.1345 1.00781 21.3003 -14.3493 21.3003 -6.57891 GPRESSAVG: 3980800 -76.2195 37.9911 -13.6109 35.6472 0.885061 21.5049 -14.2256 20.3917 -7.32758 TIMING: 3980800 CPU: 12435.5, 0.00312167/step Wall: 12435.5, 0.00312167/step, 0.88378 hours remaining, 234.261719 MB of memory in use. ENERGY: 3980800 3985.9558 20465.7879 14481.3760 257.1919 -203305.8170 2902.6927 0.0000 0.0000 52352.1778 -108860.6349 300.8687 -161212.8127 -108489.6958 299.7506 40.7799 65.0431 764921.7749 -27.5017 -27.5540 PRESSURE: 3981000 252.443 208.507 77.785 208.507 -186.233 68.4241 77.7843 68.4243 211.901 GPRESSURE: 3981000 174.669 104.003 57.7058 182.042 -45.9333 6.55478 -104.86 112.759 235.655 PRESSAVG: 3981000 -11.0884 -55.2962 28.3003 -55.2962 6.54428 83.2609 28.3003 83.2609 19.875 GPRESSAVG: 3981000 -10.6373 -58.4826 28.2961 -55.3765 5.89678 81.8309 27.2505 84.9639 20.0932 TIMING: 3981000 CPU: 12436.1, 0.00312245/step Wall: 12436.1, 0.00312245/step, 0.883827 hours remaining, 234.250000 MB of memory in use. ENERGY: 3981000 4041.6237 20557.7961 14543.1653 224.9674 -203266.4350 3022.6012 0.0000 0.0000 52110.7764 -108765.5048 299.4813 -160876.2812 -108406.2909 300.0116 92.7033 121.4633 764645.0780 5.1103 5.1176 PRESSURE: 3981200 186.667 67.5163 -22.9069 67.5161 463.841 115.446 -22.9062 115.446 312.676 GPRESSURE: 3981200 188.112 91.8718 -40.9087 52.9056 542.744 136.664 70.8867 37.4961 314.644 PRESSAVG: 3981200 22.9722 -35.5352 27.722 -35.5352 -11.8847 8.40093 27.7219 8.40089 -7.53978 GPRESSAVG: 3981200 23.2266 -32.2784 27.2824 -37.617 -11.4463 10.0796 29.6933 7.57389 -7.89642 TIMING: 3981200 CPU: 12436.7, 0.00312764/step Wall: 12436.7, 0.00312764/step, 0.885122 hours remaining, 234.261719 MB of memory in use. ENERGY: 3981200 4034.7575 20511.8811 14583.3576 253.6475 -203706.6582 3434.8155 0.0000 0.0000 52273.9009 -108614.2981 300.4188 -160888.1990 -108248.2458 300.2086 321.0613 348.5002 764276.6612 1.1826 1.2946 PRESSURE: 3981400 -166.952 113.155 151.849 113.155 -588.306 -85.4675 151.849 -85.4668 -156.342 GPRESSURE: 3981400 -179.574 81.4437 139.058 24.1541 -508.941 -152.853 121.514 91.9314 -151.437 PRESSAVG: 3981400 17.8281 20.3954 6.46571 20.3954 -31.5794 75.913 6.46564 75.913 -1.78792 GPRESSAVG: 3981400 17.7277 20.2607 5.62725 21.9682 -32.5204 76.2325 8.62494 76.155 -0.515536 TIMING: 3981400 CPU: 12437.3, 0.003114/step Wall: 12437.3, 0.00311401/step, 0.881091 hours remaining, 234.261719 MB of memory in use. ENERGY: 3981400 4088.4198 20515.9344 14541.1503 249.0545 -202696.6446 2434.2193 0.0000 0.0000 52047.5427 -108820.3236 299.1179 -160867.8664 -108461.2737 300.5520 -303.8665 -279.9839 767697.7996 -5.1797 -5.1027 PRESSURE: 3981600 -263.189 -120.501 -97.9996 -120.502 28.1841 -186.72 -98.0002 -186.719 -92.3876 GPRESSURE: 3981600 -201.49 -14.9779 -83.8853 -0.103293 -23.2012 -222.798 -71.4318 -73.6431 -10.3233 PRESSAVG: 3981600 -2.2603 17.5956 42.6822 17.5957 -37.3608 60.3426 42.6823 60.3426 2.57011 GPRESSAVG: 3981600 -2.47214 17.1176 43.0238 17.9198 -36.2311 59.865 41.0503 60.0444 1.81966 TIMING: 3981600 CPU: 12438, 0.00311177/step Wall: 12438, 0.00311177/step, 0.880286 hours remaining, 234.261719 MB of memory in use. ENERGY: 3981600 4051.3106 20659.0126 14434.8922 248.4088 -203110.4877 2900.2831 0.0000 0.0000 51976.8510 -108839.7294 298.7117 -160816.5804 -108479.4513 299.9922 -109.1307 -78.3381 763710.3718 -12.3503 -12.2945 PRESSURE: 3981800 110.051 -92.9937 140.888 -92.9931 -4.64751 83.8252 140.888 83.8247 134.865 GPRESSURE: 3981800 175.406 -119.165 130.423 -105.883 27.7114 6.90379 -20.6633 1.70371 102.494 PRESSAVG: 3981800 7.43703 5.92011 32.2794 5.92003 -49.1372 -12.69 32.2794 -12.69 6.56957 GPRESSAVG: 3981800 6.4494 7.65946 33.3513 5.29731 -47.9633 -13.7758 31.4933 -12.0594 6.7768 TIMING: 3981800 CPU: 12438.6, 0.00309995/step Wall: 12438.6, 0.00309995/step, 0.876769 hours remaining, 234.261719 MB of memory in use. ENERGY: 3981800 3884.5384 20577.8238 14596.5759 262.2423 -202795.2475 2513.8742 0.0000 0.0000 52144.0370 -108816.1559 299.6725 -160960.1930 -108443.5926 299.9111 80.0897 101.8706 763659.5597 -11.7102 -11.5790 PRESSURE: 3982000 152.87 166.788 -36.8812 166.788 142.268 344.191 -36.8815 344.191 189.881 GPRESSURE: 3982000 188.51 37.2185 50.1019 86.6713 109.117 395.715 -76.9169 270.034 261.164 PRESSAVG: 3982000 -5.47885 4.2185 -46.6029 4.21855 -8.53533 36.0388 -46.6029 36.0388 21.7481 GPRESSAVG: 3982000 -4.49922 3.84179 -45.5082 5.56728 -9.11781 35.5853 -47.0821 35.3654 21.4634 TIMING: 3982000 CPU: 12439.2, 0.00311703/step Wall: 12439.2, 0.00311703/step, 0.881426 hours remaining, 234.261719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3982000 4027.5765 20606.7978 14471.7503 224.2192 -203362.9879 2821.2707 0.0000 0.0000 52154.0704 -109057.3027 299.7302 -161211.3731 -108696.6698 300.0688 161.6731 186.2639 762527.8506 2.5780 2.6155 PRESSURE: 3982200 54.9612 40.6109 -15.2486 40.6108 -474.681 -151.578 -15.2481 -151.579 104.186 GPRESSURE: 3982200 17.2094 28.8583 -29.4094 92.0665 -378.144 -148.326 21.7039 3.51321 133.858 PRESSAVG: 3982200 -20.5277 -36.5375 -15.5915 -36.5375 -24.983 -14.9771 -15.5915 -14.9771 5.34883 GPRESSAVG: 3982200 -20.7657 -38.1679 -15.7168 -38.5274 -24.1523 -13.4698 -15.4004 -13.3959 5.06558 TIMING: 3982200 CPU: 12439.8, 0.00309917/step Wall: 12439.8, 0.00309917/step, 0.876205 hours remaining, 234.261719 MB of memory in use. ENERGY: 3982200 4024.4036 20649.0104 14374.0033 253.6078 -203255.7192 2772.5128 0.0000 0.0000 52196.6254 -108985.5560 299.9747 -161182.1814 -108621.4872 300.1462 -105.1777 -75.6924 763959.9891 -13.3873 -13.2841 PRESSURE: 3982400 -149.452 6.89507 20.8316 6.89439 -530.705 153.381 20.8315 153.381 -41.4905 GPRESSURE: 3982400 -118.214 71.7172 9.46756 -13.6977 -487.436 98.1696 -56.3959 192.053 -27.5952 PRESSAVG: 3982400 25.2578 21.2198 -51.4872 21.2198 -25.8754 22.0742 -51.4872 22.0742 10.5076 GPRESSAVG: 3982400 24.5689 20.8449 -53.7814 24.1407 -27.1267 20.4569 -52.4821 20.4447 11.6787 TIMING: 3982400 CPU: 12440.4, 0.00309069/step Wall: 12440.4, 0.00309069/step, 0.873636 hours remaining, 234.261719 MB of memory in use. ENERGY: 3982400 4022.3920 20697.5124 14440.3314 243.6936 -203324.2783 2600.8506 0.0000 0.0000 52384.5783 -108934.9201 301.0549 -161319.4984 -108576.9004 299.7529 -240.5493 -211.0818 762324.6799 3.2967 3.0403 PRESSURE: 3982600 -484.197 -208.55 -152.729 -208.551 -190.03 27.7795 -152.729 27.7804 -47.4359 GPRESSURE: 3982600 -386.595 -251.517 -203.357 -265.955 -190.576 1.36653 -228.415 -4.97853 -49.6872 PRESSAVG: 3982600 28.883 -63.676 11.4731 -63.6761 -20.5501 -34.3569 11.4731 -34.3569 -4.92358 GPRESSAVG: 3982600 30.1613 -63.4918 12.8714 -65.4269 -20.888 -33.4885 11.3259 -34.4408 -5.5716 TIMING: 3982600 CPU: 12441.1, 0.00310829/step Wall: 12441.1, 0.00310829/step, 0.878438 hours remaining, 234.261719 MB of memory in use. ENERGY: 3982600 3991.9418 20430.9788 14402.1573 257.4163 -202880.8431 2315.4279 0.0000 0.0000 52468.7650 -109014.1560 301.5387 -161482.9210 -108643.5821 300.1420 -240.5545 -208.9528 761472.2949 1.1364 1.2339 PRESSURE: 3982800 251.604 -8.44006 -157.269 -8.43935 246.174 -68.6325 -157.267 -68.6323 -288.459 GPRESSURE: 3982800 208.844 -6.1354 -217.271 69.7963 296.723 -169.91 -39.7147 -41.1019 -216.386 PRESSAVG: 3982800 -51.2671 -23.2624 35.8815 -23.2624 26.867 -29.5615 35.8815 -29.5615 12.2486 GPRESSAVG: 3982800 -52.014 -21.0582 34.1322 -21.7388 27.2784 -31.4604 36.7154 -27.0284 12.5968 TIMING: 3982800 CPU: 12441.7, 0.00311039/step Wall: 12441.7, 0.00311039/step, 0.878859 hours remaining, 234.261719 MB of memory in use. ENERGY: 3982800 3963.4479 20654.8069 14490.3478 239.1317 -203284.1697 2880.5887 0.0000 0.0000 52221.0407 -108834.8061 300.1150 -161055.8468 -108483.1078 300.3692 69.7731 96.3934 760950.4457 -4.0505 -4.0462 PRESSURE: 3983000 229.245 70.1146 164.281 70.1153 -180.001 -62.9566 164.281 -62.9565 5.56925 GPRESSURE: 3983000 212.548 101.688 174.753 15.9233 -89.99 -45.4597 30.621 -94.2926 27.4036 PRESSAVG: 3983000 42.4191 -52.3918 50.9143 -52.3918 -28.4153 7.87276 50.9143 7.87275 -1.92631 GPRESSAVG: 3983000 42.7542 -53.0586 51.527 -55.493 -27.5843 10.3554 50.6861 6.82674 -2.46999 TIMING: 3983000 CPU: 12442.3, 0.00309448/step Wall: 12442.3, 0.00309448/step, 0.874189 hours remaining, 234.261719 MB of memory in use. ENERGY: 3983000 3946.0546 20538.9207 14451.7159 226.3898 -203312.5347 2859.5460 0.0000 0.0000 52336.2079 -108953.6997 300.7769 -161289.9076 -108584.4506 300.4120 18.2711 49.9873 762674.2085 4.0258 4.2333 PRESSURE: 3983200 380.135 -59.3165 -15.4781 -59.3171 203.855 123.923 -15.4781 123.923 511.892 GPRESSURE: 3983200 395.687 -58.6727 -38.0688 -14.2378 227.215 42.6311 -196.187 49.9821 545.859 PRESSAVG: 3983200 72.8069 -1.95718 -8.00922 -1.95727 -33.8936 9.6415 -8.00925 9.64154 17.8045 GPRESSAVG: 3983200 72.4741 -2.0026 -7.74992 0.548504 -35.136 7.31815 -7.776 9.01891 18.4724 TIMING: 3983200 CPU: 12442.9, 0.00309995/step Wall: 12442.9, 0.00309995/step, 0.875564 hours remaining, 234.261719 MB of memory in use. ENERGY: 3983200 3970.3997 20616.1064 14478.0663 264.7761 -203305.7194 2979.6164 0.0000 0.0000 52075.4744 -108921.2802 299.2785 -160996.7545 -108569.4310 300.2585 365.2938 389.5874 763378.1130 18.9059 18.6035 PRESSURE: 3983400 -15.0137 35.8144 -73.1954 35.8146 64.0213 105.293 -73.1949 105.293 93.1447 GPRESSURE: 3983400 25.2156 45.3082 -33.3189 109.158 32.0816 106.616 -65.9636 197.114 150.331 PRESSAVG: 3983400 2.24867 -19.5507 -12.4035 -19.5507 -13.6948 -1.28682 -12.4035 -1.28684 7.77548 GPRESSAVG: 3983400 1.19268 -19.6556 -13.1336 -20.1922 -13.266 -0.371407 -11.8159 -2.3151 8.00698 TIMING: 3983400 CPU: 12443.6, 0.00313308/step Wall: 12443.6, 0.00313308/step, 0.884747 hours remaining, 234.261719 MB of memory in use. ENERGY: 3983400 3966.7870 20755.8801 14455.1666 240.8535 -203132.3460 2554.1260 0.0000 0.0000 52331.7835 -108827.7492 300.7515 -161159.5328 -108466.3919 300.7400 47.3841 69.2093 764258.0340 -1.2235 -1.3554 PRESSURE: 3983600 -267.538 -46.2131 41.2397 -46.2132 -122.071 -32.4302 41.2407 -32.4304 -232.851 GPRESSURE: 3983600 -178.29 8.8007 31.9217 25.0522 -163.384 -38.2794 -3.30125 6.7363 -182.1 PRESSAVG: 3983600 3.82181 -5.11231 -7.88505 -5.11226 -38.5956 -55.7115 -7.885 -55.7115 -21.1454 GPRESSAVG: 3983600 4.73965 -3.37676 -6.5315 -5.69788 -39.1403 -55.7069 -10.3658 -52.9527 -21.489 TIMING: 3983600 CPU: 12444.2, 0.00311684/step Wall: 12444.2, 0.00311684/step, 0.879988 hours remaining, 234.261719 MB of memory in use. ENERGY: 3983600 3962.8832 20596.2687 14493.9292 235.6665 -202491.1806 2134.3773 0.0000 0.0000 52072.1072 -108995.9485 299.2591 -161068.0557 -108638.7475 299.9797 -207.4868 -174.5915 763170.8196 -18.6397 -18.6299 PRESSURE: 3983800 -208.355 -100.801 -121.118 -100.8 9.32366 -47.8417 -121.118 -47.8417 116.39 GPRESSURE: 3983800 -154.999 -163.411 -105.423 -175.604 31.0033 -123.652 -156.535 90.1927 131.472 PRESSAVG: 3983800 4.28549 -42.646 -59.6447 -42.6459 -1.89383 -30.9311 -59.6446 -30.931 5.21293 GPRESSAVG: 3983800 4.78004 -44.4205 -58.4488 -42.0707 -1.78773 -30.1769 -54.8742 -32.067 5.36729 TIMING: 3983800 CPU: 12444.8, 0.00311657/step Wall: 12444.8, 0.00311657/step, 0.879738 hours remaining, 234.261719 MB of memory in use. ENERGY: 3983800 4015.1149 20605.2180 14517.3073 233.7698 -202970.1306 2421.5021 0.0000 0.0000 51964.7770 -109212.4414 298.6423 -161177.2185 -108846.8480 299.2143 -27.5470 2.4921 762827.1602 2.5349 2.7865 PRESSURE: 3984000 190.82 111.209 91.0164 111.21 100.34 -32.1485 91.0162 -32.1466 707.177 GPRESSURE: 3984000 225.39 146.392 57.018 197.318 169.552 -119.712 -0.247135 100.009 672.137 PRESSAVG: 3984000 -27.3752 -35.3116 -0.250011 -35.3117 36.3696 12.013 -0.250002 12.0131 0.67565 GPRESSAVG: 3984000 -28.4016 -35.2517 -1.48312 -35.8963 37.4882 11.4115 -2.55756 9.95956 0.391992 TIMING: 3984000 CPU: 12445.4, 0.00311792/step Wall: 12445.4, 0.00311792/step, 0.879945 hours remaining, 234.261719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3984000 4022.2251 20580.0787 14519.0638 247.3267 -203524.6304 2802.4090 0.0000 0.0000 52217.2643 -109136.2627 300.0933 -161353.5270 -108771.1549 299.6084 332.7790 355.6928 760425.4002 3.2234 3.1595 PRESSURE: 3984200 -374.919 -16.4719 -100.69 -16.4713 -84.9161 -190.873 -100.69 -190.873 -288.903 GPRESSURE: 3984200 -326.072 56.7593 -116.57 75.4745 -94.3149 -81.7282 -96.6558 -279.489 -238.762 PRESSAVG: 3984200 -15.4945 4.20082 -37.01 4.20076 59.7298 -25.5085 -37.01 -25.5085 -1.58578 GPRESSAVG: 3984200 -15.5174 3.75816 -37.4988 6.80239 58.8707 -24.4436 -36.2303 -24.8557 -1.05363 TIMING: 3984200 CPU: 12446.1, 0.0031166/step Wall: 12446.1, 0.0031166/step, 0.879401 hours remaining, 234.261719 MB of memory in use. ENERGY: 3984200 3962.4341 20459.3939 14468.0667 226.3105 -203476.5954 2775.5371 0.0000 0.0000 52095.7490 -109489.1040 299.3950 -161584.8530 -109112.5492 299.0518 -249.5793 -219.7165 763046.1285 14.2165 14.0999 LDB: ============= START OF LOAD BALANCING ============== 12458.5 LDB: ============== END OF LOAD BALANCING =============== 12458.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12458.5 LDB: ============= START OF LOAD BALANCING ============== 12458.8 LDB: Largest compute 7065 load 0.029143 is 14.9% of average load 0.195373 LDB: Average compute 0.004394 is 2.2% of average load 0.195373 LDB: TIME 12458.8 LOAD: AVG 0.195373 MAX 0.214709 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.52 MB LDB: TIME 12458.8 LOAD: AVG 0.195373 MAX 0.214709 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.621 MB LDB: TIME 12458.8 LOAD: AVG 0.195373 MAX 0.214709 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.621 MB LDB: ============== END OF LOAD BALANCING =============== 12458.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12458.9 PRESSURE: 3984400 75.3337 -270.084 -274.551 -270.084 84.6139 -44.4459 -274.552 -44.4455 -164.636 GPRESSURE: 3984400 86.1188 -175.554 -323.339 -306.554 115.56 -72.5673 -86.9355 67.1084 -115.954 PRESSAVG: 3984400 -32.2246 12.4138 -54.7232 12.4138 50.2508 -4.12289 -54.7232 -4.12284 8.73383 GPRESSAVG: 3984400 -31.3786 12.6701 -53.9539 10.8314 49.34 -2.84968 -54.9089 -3.82345 8.58104 TIMING: 3984400 CPU: 12446.7, 0.00317921/step Wall: 12446.7, 0.00317921/step, 0.896891 hours remaining, 234.773438 MB of memory in use. ENERGY: 3984400 3947.6442 20434.3873 14509.1750 234.2527 -203393.6902 2806.8101 0.0000 0.0000 52005.8366 -109455.5843 298.8783 -161461.4209 -109096.0679 298.5562 -1.5629 28.5748 763229.2136 8.9200 8.8475 PRESSURE: 3984600 -63.1736 14.1841 116.761 14.1834 86.9284 -99.6452 116.761 -99.6461 17.3412 GPRESSURE: 3984600 -5.77293 -78.8463 208.427 110.296 62.3243 -152.843 85.1185 -183.666 53.2898 PRESSAVG: 3984600 -10.0031 0.204286 -58.5438 0.204328 31.1958 -15.1883 -58.5437 -15.1884 14.1143 GPRESSAVG: 3984600 -11.6893 -2.38022 -58.5747 1.55461 31.8423 -13.8835 -57.8612 -16.8872 14.4067 TIMING: 3984600 CPU: 12447.3, 0.00311049/step Wall: 12447.3, 0.00311049/step, 0.877331 hours remaining, 235.292969 MB of memory in use. ENERGY: 3984600 3997.6531 20468.4683 14500.6152 238.7013 -203327.5665 2928.5896 0.0000 0.0000 51845.3008 -109348.2382 297.9557 -161193.5390 -108983.4242 298.6046 13.6987 36.6137 764549.0942 11.7690 11.5199 PRESSURE: 3984800 -182.544 134.652 -74.8302 134.651 65.8983 105.394 -74.8311 105.393 8.07374 GPRESSURE: 3984800 -100.916 123.371 -49.2095 73.4735 21.9116 112.506 -22.8043 120.734 60.2523 PRESSAVG: 3984800 32.6645 6.13502 19.1808 6.13505 -31.3917 44.448 19.1808 44.448 -9.76491 GPRESSAVG: 3984800 32.4746 7.12859 19.6447 5.74192 -30.9591 42.2858 18.1197 46.9783 -10.0093 TIMING: 3984800 CPU: 12447.9, 0.00311164/step Wall: 12447.9, 0.00311164/step, 0.877483 hours remaining, 235.292969 MB of memory in use. ENERGY: 3984800 4101.3257 20443.1101 14509.0114 219.4182 -203049.4181 2770.2829 0.0000 0.0000 51894.1593 -109112.1106 298.2364 -161006.2698 -108760.1836 299.0467 -36.1907 -6.2508 763963.0371 -2.8307 -2.8313 PRESSURE: 3985000 76.1004 125.218 34.0315 125.217 -150.084 132.969 34.0313 132.97 -432.568 GPRESSURE: 3985000 83.7511 105.754 -21.6738 127.851 -57.6777 101.612 63.5519 89.3357 -426.454 PRESSAVG: 3985000 -64.5753 -20.4036 -27.7411 -20.4036 30.3569 -2.55083 -27.7411 -2.55081 -0.110651 GPRESSAVG: 3985000 -63.4617 -20.0734 -27.9679 -20.5239 30.4613 -3.04694 -27.7782 -4.55692 -0.536737 TIMING: 3985000 CPU: 12448.6, 0.00312365/step Wall: 12448.6, 0.00312365/step, 0.880695 hours remaining, 235.292969 MB of memory in use. ENERGY: 3985000 4084.6650 20338.0502 14490.4746 236.4104 -203323.4224 2843.4338 0.0000 0.0000 52475.3014 -108855.0869 301.5763 -161330.3883 -108487.8641 299.3254 -168.8506 -133.4604 762312.4094 -11.4430 -11.1790 PRESSURE: 3985200 -372.354 -111.374 -275.471 -111.374 149.039 -11.7686 -275.472 -11.7679 -411.218 GPRESSURE: 3985200 -211.923 -126.05 -233.814 -9.28582 84.1227 -52.3674 -300.843 73.2859 -432.418 PRESSAVG: 3985200 10.2855 18.1193 17.8056 18.1193 33.285 6.46434 17.8056 6.46437 -12.5936 GPRESSAVG: 3985200 9.4763 18.0266 16.6755 18.0924 32.4642 7.09781 18.3732 9.66063 -11.199 TIMING: 3985200 CPU: 12449.2, 0.00311387/step Wall: 12449.2, 0.00311387/step, 0.877764 hours remaining, 235.292969 MB of memory in use. ENERGY: 3985200 3990.9951 20507.7107 14519.8316 250.4589 -202936.6089 2629.4531 0.0000 0.0000 52240.1040 -108798.0556 300.2246 -161038.1595 -108454.3370 300.1006 -211.5112 -186.7394 762277.5161 10.3256 10.2472 PRESSURE: 3985400 129.859 -126.2 -91.781 -126.2 -578.499 -119.778 -91.7809 -119.776 213.686 GPRESSURE: 3985400 118.996 -225.203 -106.861 -125.389 -500.998 -149.711 28.4151 -83.9776 244.395 PRESSAVG: 3985400 -14.364 -26.2305 -42.6446 -26.2305 -15.7648 -4.05302 -42.6447 -4.05302 -11.7117 GPRESSAVG: 3985400 -13.4698 -28.553 -41.626 -24.837 -16.013 -3.50218 -42.1691 -6.55832 -12.3903 TIMING: 3985400 CPU: 12449.8, 0.0031169/step Wall: 12449.8, 0.0031169/step, 0.878446 hours remaining, 235.292969 MB of memory in use. ENERGY: 3985400 3976.9453 20492.2339 14517.0093 239.9412 -203216.4759 2963.8615 0.0000 0.0000 52120.3467 -108906.1380 299.5363 -161026.4847 -108540.9973 299.9629 -78.3177 -45.8690 765175.7612 -13.9469 -13.9577 PRESSURE: 3985600 -402.87 245.772 246.178 245.772 157.873 2.81453 246.177 2.81464 -36.806 GPRESSURE: 3985600 -280.996 224.582 188.964 154.636 176.807 -64.6223 181.949 -175.453 -81.5394 PRESSAVG: 3985600 -23.223 -10.0442 9.9989 -10.0443 25.4913 -5.12827 9.99887 -5.12832 14.0422 GPRESSAVG: 3985600 -24.8075 -6.94908 9.9674 -11.8623 26.7213 -6.73844 7.7998 -4.98109 14.6318 TIMING: 3985600 CPU: 12450.4, 0.00312486/step Wall: 12450.4, 0.00312486/step, 0.880517 hours remaining, 235.292969 MB of memory in use. ENERGY: 3985600 4006.4126 20471.6168 14588.8481 238.8017 -203246.5517 2731.0599 0.0000 0.0000 52229.1821 -108980.6304 300.1618 -161209.8125 -108615.1825 299.8746 -93.9342 -61.9096 763291.3023 5.4368 5.5152 PRESSURE: 3985800 -104.35 -65.7462 -3.62809 -65.7467 -34.8502 208.866 -3.62822 208.866 -182.258 GPRESSURE: 3985800 -105.938 8.65656 -1.74155 3.88984 -64.2313 223.052 -37.8128 215.248 -102.727 PRESSAVG: 3985800 9.29556 14.3997 8.40696 14.3997 -33.9568 20.333 8.40693 20.333 -4.40975 GPRESSAVG: 3985800 9.59865 15.9133 8.14536 14.8728 -34.2394 20.0538 10.0464 22.1525 -4.70723 TIMING: 3985800 CPU: 12451.1, 0.0031296/step Wall: 12451.1, 0.0031296/step, 0.881678 hours remaining, 235.304688 MB of memory in use. ENERGY: 3985800 4022.3035 20580.9290 14541.6783 233.0226 -203307.5203 2682.2159 0.0000 0.0000 52230.4114 -109016.9595 300.1689 -161247.3709 -108655.8494 299.7351 -107.1530 -90.9655 762984.7729 -9.6903 -9.7827 PRESSURE: 3986000 -15.5748 50.1362 -273.291 50.1367 144.242 198.868 -273.291 198.868 -25.117 GPRESSURE: 3986000 6.11671 10.0201 -264.157 43.8153 192.59 258.406 -275.223 117.707 -35.3097 PRESSAVG: 3986000 -18.5957 6.58483 -1.38601 6.58487 -26.9968 23.1398 -1.38599 23.1398 -19.5618 GPRESSAVG: 3986000 -18.2112 5.37522 -1.31278 6.01299 -26.6781 25.9418 -1.69019 20.2398 -20.1735 TIMING: 3986000 CPU: 12451.7, 0.00310839/step Wall: 12451.7, 0.00310839/step, 0.87553 hours remaining, 235.304688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3986000 3931.0041 20592.6882 14477.0732 239.9439 -203192.8613 2639.1930 0.0000 0.0000 52110.2077 -109202.7512 299.4781 -161312.9589 -108843.7945 299.4210 34.5166 54.4656 762875.1847 -21.7181 -21.6876 PRESSURE: 3986200 78.3543 -43.3266 123.24 -43.3268 -105.503 85.0351 123.239 85.0351 -144.189 GPRESSURE: 3986200 81.7828 16.4677 112.275 -55.3979 -57.7193 77.7896 144.977 51.1315 -94.8611 PRESSAVG: 3986200 4.29594 41.1257 3.65308 41.1257 37.5507 45.7254 3.65313 45.7254 -14.0349 GPRESSAVG: 3986200 5.2856 40.8325 5.84732 40.7421 36.4174 44.0619 3.20027 44.9856 -13.7563 TIMING: 3986200 CPU: 12452.3, 0.00315777/step Wall: 12452.3, 0.00315777/step, 0.889262 hours remaining, 235.304688 MB of memory in use. ENERGY: 3986200 3925.2733 20384.6060 14516.5749 251.5267 -203096.7623 2556.0838 0.0000 0.0000 52181.3143 -109281.3833 299.8867 -161462.6976 -108912.8944 299.2596 -57.1124 -23.5992 760793.9698 9.2706 9.3156 PRESSURE: 3986400 -391.583 52.5193 -216.173 52.5195 -253.489 -78.2419 -216.173 -78.2411 -0.80487 GPRESSURE: 3986400 -316.391 70.1674 -301.494 91.904 -207.228 -73.4724 -175.271 -99.4674 -18.6635 PRESSAVG: 3986400 3.81133 13.9387 3.9752 13.9387 18.5886 38.2693 3.97522 38.2693 -1.4688 GPRESSAVG: 3986400 4.56472 14.0353 1.49644 14.2423 18.8395 39.0903 4.89235 40.2555 -2.7193 TIMING: 3986400 CPU: 12452.9, 0.00315295/step Wall: 12452.9, 0.00315295/step, 0.887731 hours remaining, 235.304688 MB of memory in use. ENERGY: 3986400 4036.7179 20620.4740 14495.0099 261.2292 -203109.9751 2727.5834 0.0000 0.0000 52064.7825 -108904.1782 299.2170 -160968.9606 -108553.7425 299.8587 -215.2921 -180.7611 763067.4897 6.9771 6.8950 PRESSURE: 3986600 -219.503 -46.9796 -128.039 -46.9788 -466.826 -117.855 -128.039 -117.855 25.5021 GPRESSURE: 3986600 -214.146 24.683 -103.331 -129.971 -368.928 -111.888 -69.1256 -50.7431 8.76541 PRESSAVG: 3986600 -15.6922 -15.77 8.5751 -15.77 19.5148 10.3758 8.57515 10.3757 18.033 GPRESSAVG: 3986600 -17.9771 -16.4336 9.2438 -15.4175 21.03 9.38633 9.78001 11.931 18.705 TIMING: 3986600 CPU: 12453.6, 0.00310343/step Wall: 12453.6, 0.00310343/step, 0.873615 hours remaining, 235.304688 MB of memory in use. ENERGY: 3986600 3998.1966 20599.7584 14548.4596 257.4355 -203181.5825 2702.7954 0.0000 0.0000 52101.4985 -108973.4385 299.4280 -161074.9370 -108617.4781 300.1350 -220.2754 -191.4364 762804.7605 7.2852 7.2526 PRESSURE: 3986800 387.809 -69.305 -3.00288 -69.3047 42.2732 364.356 -3.00248 364.356 264.211 GPRESSURE: 3986800 453.33 -112.426 79.5229 -97.6989 64.3257 249.798 -119.168 243.354 245.914 PRESSAVG: 3986800 -9.02431 51.134 24.8543 51.134 20.6865 6.77092 24.8543 6.77094 -4.93239 GPRESSAVG: 3986800 -8.59771 51.2175 23.8843 50.6327 19.5718 6.52415 23.4244 3.60493 -4.48025 TIMING: 3986800 CPU: 12454.2, 0.00311994/step Wall: 12454.2, 0.00311994/step, 0.878089 hours remaining, 235.304688 MB of memory in use. ENERGY: 3986800 3975.5920 20669.5003 14488.9368 257.8229 -203645.0755 3278.0205 0.0000 0.0000 51947.9610 -109027.2419 298.5456 -160975.2029 -108674.0652 299.9431 231.4310 254.5231 761063.0759 2.2433 2.1646 PRESSURE: 3987000 -248.236 -89.9383 61.4849 -89.9383 28.2171 -62.1259 61.4846 -62.1262 -75.9338 GPRESSURE: 3987000 -259.052 -114.483 84.9197 -91.739 135.58 -137.41 25.5974 -138.568 -80.9999 PRESSAVG: 3987000 25.1255 -37.0991 9.78328 -37.0991 -6.93917 4.17754 9.78328 4.17762 -37.606 GPRESSAVG: 3987000 25.6407 -37.9614 11.5692 -35.4005 -7.07637 3.7023 9.62681 5.71406 -38.0292 TIMING: 3987000 CPU: 12454.8, 0.0031009/step Wall: 12454.8, 0.0031009/step, 0.87256 hours remaining, 235.304688 MB of memory in use. ENERGY: 3987000 4018.4744 20596.1919 14590.2649 246.2172 -203507.7385 2743.8580 0.0000 0.0000 52256.1908 -109056.5413 300.3170 -161312.7321 -108684.4496 299.8716 -98.6511 -68.1571 761281.8267 -6.4732 -6.4883 PRESSURE: 3987200 160.142 15.5937 81.4624 15.5945 -153.015 329.229 81.4633 329.229 -408.834 GPRESSURE: 3987200 200.446 56.7853 -9.13522 148.574 -100.004 275.944 30.8697 253.529 -425.668 PRESSAVG: 3987200 -23.702 49.7943 37.0256 49.7943 66.708 1.26095 37.0256 1.26095 -25.1824 GPRESSAVG: 3987200 -24.233 51.8963 35.0553 50.2383 66.4203 4.50065 37.5116 2.65702 -24.3603 TIMING: 3987200 CPU: 12455.4, 0.00311596/step Wall: 12455.4, 0.00311596/step, 0.876622 hours remaining, 235.304688 MB of memory in use. ENERGY: 3987200 4009.8902 20558.1313 14509.3753 260.8198 -203176.8671 2675.3307 0.0000 0.0000 52243.6900 -108919.6298 300.2452 -161163.3197 -108552.0580 300.0608 -133.9019 -108.4088 762622.6814 5.9412 5.9423 PRESSURE: 3987400 -535.943 -249.923 94.3511 -249.924 -247.451 -195.016 94.3516 -195.016 -63.8019 GPRESSURE: 3987400 -473.589 -304.693 142.065 -139.52 -216.576 -188.28 35.6019 -143.808 -75.5791 PRESSAVG: 3987400 -30.5426 41.5429 -8.4134 41.5429 -19.162 -3.08003 -8.41337 -3.08001 -10.1972 GPRESSAVG: 3987400 -29.8266 42.682 -7.46132 38.4954 -18.4335 -5.19652 -7.95629 -3.39999 -11.516 TIMING: 3987400 CPU: 12456, 0.00312128/step Wall: 12456, 0.00312127/step, 0.877945 hours remaining, 235.304688 MB of memory in use. ENERGY: 3987400 4057.7043 20630.1761 14528.7941 261.2496 -202923.8715 2225.2451 0.0000 0.0000 52256.0663 -108964.6360 300.3163 -161220.7023 -108597.2646 300.0880 -282.3987 -255.2480 761511.1941 -19.9673 -19.9254 PRESSURE: 3987600 289.723 133.913 8.31125 133.913 47.8373 7.53154 8.31155 7.53143 59.5669 GPRESSURE: 3987600 235.619 7.00514 48.5695 208.974 99.36 2.34043 38.2893 -104.246 161.085 PRESSAVG: 3987600 -24.338 7.1287 -28.2288 7.12856 -0.217148 -10.1899 -28.2289 -10.1899 7.66852 GPRESSAVG: 3987600 -25.4476 5.40233 -27.7614 10.4144 -0.757778 -10.3644 -26.9887 -11.3267 9.26456 TIMING: 3987600 CPU: 12456.7, 0.00311755/step Wall: 12456.7, 0.00311755/step, 0.876724 hours remaining, 235.304688 MB of memory in use. ENERGY: 3987600 4055.6239 20664.1139 14521.4784 250.6493 -203221.7167 2469.7394 0.0000 0.0000 52260.6730 -108999.4388 300.3428 -161260.1118 -108646.9977 299.9328 132.3758 165.3547 760877.6101 -5.6289 -5.6469 PRESSURE: 3987800 -134.398 -97.4176 8.91876 -97.4177 -97.0503 -172.442 8.918 -172.441 109.798 GPRESSURE: 3987800 -196.517 -76.738 36.7863 -98.1651 83.9498 -210.136 -3.83069 -137.584 103.876 PRESSAVG: 3987800 40.2382 -9.58197 -40.7065 -9.58196 -20.0124 28.7812 -40.7065 28.7811 23.7389 GPRESSAVG: 3987800 41.7801 -8.78967 -40.159 -9.5283 -18.9617 28.2745 -41.6645 29.7582 21.6769 TIMING: 3987800 CPU: 12457.3, 0.00310719/step Wall: 12457.3, 0.00310719/step, 0.873639 hours remaining, 235.304688 MB of memory in use. ENERGY: 3987800 3971.7816 20459.8266 14433.7432 249.5110 -203163.0790 2632.0753 0.0000 0.0000 52144.8551 -109271.2862 299.6772 -161416.1413 -108896.7846 300.0313 -40.5501 -2.8972 762022.4992 14.6549 14.8318 PRESSURE: 3988000 -194.761 -289.479 135.757 -289.479 -322.55 80.2423 135.757 80.2423 376.11 GPRESSURE: 3988000 -222.613 -188.163 176.928 -279.882 -242.753 83.431 30.5894 47.474 412.524 PRESSAVG: 3988000 -16.0009 -35.7737 28.3261 -35.7736 -2.17975 -16.2869 28.3261 -16.2869 9.71003 GPRESSAVG: 3988000 -17.9201 -36.4992 27.296 -37.1974 -1.70042 -14.0793 27.7311 -18.8362 10.9729 TIMING: 3988000 CPU: 12457.9, 0.00312977/step Wall: 12457.9, 0.00312977/step, 0.879814 hours remaining, 235.304688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3988000 4022.7277 20387.0612 14500.9654 250.0877 -203467.6005 2737.5584 0.0000 0.0000 52118.6618 -109450.5382 299.5267 -161569.2000 -109085.6335 299.4667 -47.0670 -17.6139 761355.2576 -2.8236 -2.8825 PRESSURE: 3988200 -65.6749 -30.6034 -179.468 -30.6033 218.655 -8.4923 -179.469 -8.49345 -347.902 GPRESSURE: 3988200 -9.15654 -146.146 -91.9847 -10.4135 222.188 -3.33555 -87.4364 -41.1036 -311.608 PRESSAVG: 3988200 5.96949 -11.0631 83.8908 -11.063 -6.47656 3.8665 83.8907 3.86647 -1.33848 GPRESSAVG: 3988200 7.33531 -12.833 83.4972 -11.1515 -7.34493 1.60047 85.158 3.99757 -1.5165 TIMING: 3988200 CPU: 12458.5, 0.00312818/step Wall: 12458.5, 0.00312818/step, 0.879193 hours remaining, 235.304688 MB of memory in use. ENERGY: 3988200 3997.5240 20521.2206 14542.9509 251.7050 -203290.3374 2631.8711 0.0000 0.0000 52105.0373 -109240.0284 299.4484 -161345.0657 -108879.9892 299.5674 -64.9741 -32.8589 762340.5231 -0.6152 -0.5087 LDB: ============= START OF LOAD BALANCING ============== 12471 LDB: ============== END OF LOAD BALANCING =============== 12471 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12471 LDB: ============= START OF LOAD BALANCING ============== 12471.3 LDB: Largest compute 7023 load 0.027626 is 14.1% of average load 0.195418 LDB: Average compute 0.004398 is 2.3% of average load 0.195418 LDB: TIME 12471.3 LOAD: AVG 0.195418 MAX 0.214047 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.75 MB LDB: TIME 12471.3 LOAD: AVG 0.195418 MAX 0.214047 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.844 MB LDB: TIME 12471.3 LOAD: AVG 0.195418 MAX 0.214047 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.844 MB LDB: ============== END OF LOAD BALANCING =============== 12471.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12471.3 PRESSURE: 3988400 128.545 -180.363 139.054 -180.363 -151.864 -106.91 139.054 -106.91 76.2259 GPRESSURE: 3988400 130.908 -106.589 238.57 -226.289 -153.731 -56.2516 -101.804 -103.528 158.117 PRESSAVG: 3988400 -7.54604 2.81497 -22.6216 2.8149 25.8456 -18.4297 -22.6216 -18.4298 -22.1893 GPRESSAVG: 3988400 -7.21422 4.66935 -22.2677 3.97619 25.8664 -16.8321 -24.9207 -17.1748 -22.0038 TIMING: 3988400 CPU: 12459.2, 0.00318576/step Wall: 12459.2, 0.00318576/step, 0.895197 hours remaining, 234.261719 MB of memory in use. ENERGY: 3988400 4023.5037 20627.2330 14485.9365 244.8870 -203554.0407 2993.8240 0.0000 0.0000 52028.0262 -109150.6303 299.0058 -161178.6565 -108794.8246 299.8752 17.6356 45.0979 759726.5278 -1.2966 -1.1172 PRESSURE: 3988600 66.6385 166.973 -214.587 166.974 -274.398 236.381 -214.586 236.379 136.64 GPRESSURE: 3988600 106.645 209.281 -196.581 139.085 -232.097 218.025 -92.3264 194.185 152.977 PRESSAVG: 3988600 33.8064 14.6061 -11.8644 14.6062 5.27752 -26.0198 -11.8644 -26.0199 -3.96761 GPRESSAVG: 3988600 33.5394 14.0315 -11.9139 13.4378 5.78103 -25.4717 -11.6382 -26.9179 -4.38547 TIMING: 3988600 CPU: 12459.8, 0.00310194/step Wall: 12459.8, 0.00310194/step, 0.871473 hours remaining, 234.261719 MB of memory in use. ENERGY: 3988600 3980.0836 20461.7653 14430.8637 240.3320 -202972.8781 2371.6382 0.0000 0.0000 52276.1009 -109212.0943 300.4315 -161488.1952 -108853.2761 299.6653 -23.7066 9.1752 762209.4823 11.7054 11.6450 PRESSURE: 3988800 -176.746 32.7845 -238.082 32.7847 20.0243 -278.008 -238.08 -278.008 -66.217 GPRESSURE: 3988800 -93.8775 -58.9063 -203.841 -141.992 -18.792 -251.624 -203.105 -219.762 -23.966 PRESSAVG: 3988800 30.4195 -6.98549 79.3071 -6.98546 -12.4163 11.1696 79.3072 11.1697 -1.80339 GPRESSAVG: 3988800 30.711 -6.03758 79.4508 -7.83546 -12.839 11.1567 80.8722 10.9037 -1.57857 TIMING: 3988800 CPU: 12460.4, 0.00311897/step Wall: 12460.4, 0.00311897/step, 0.876083 hours remaining, 234.261719 MB of memory in use. ENERGY: 3988800 4013.3724 20559.4815 14438.8724 241.1033 -203168.5507 2527.0972 0.0000 0.0000 52311.3781 -109077.2458 300.6342 -161388.6239 -108713.7166 300.3134 -74.3130 -45.5452 762315.4846 5.3999 5.4311 PRESSURE: 3989000 -151.339 36.6753 -84.0478 36.6753 -61.4922 -27.9932 -84.0477 -27.9938 -298.915 GPRESSURE: 3989000 -70.4396 1.44927 -44.6299 53.3314 -194.12 -2.45217 -129.821 -52.9727 -173.135 PRESSAVG: 3989000 -5.49081 -28.0407 45.3902 -28.0407 14.2676 -8.03634 45.3902 -8.03647 23.2619 GPRESSAVG: 3989000 -4.52211 -27.6207 47.4372 -28.069 13.3967 -9.90652 43.0437 -6.55865 23.1307 TIMING: 3989000 CPU: 12461, 0.00310428/step Wall: 12461, 0.00310428/step, 0.871784 hours remaining, 234.261719 MB of memory in use. ENERGY: 3989000 3948.6832 20563.6554 14447.5746 250.3760 -203058.4431 2563.4472 0.0000 0.0000 52042.9908 -109241.7160 299.0918 -161284.7067 -108878.4222 299.9325 -170.5819 -145.8984 763289.4422 10.6795 10.6684 PRESSURE: 3989200 139.774 -246.555 38.6575 -246.555 266.61 -106.633 38.658 -106.633 144.031 GPRESSURE: 3989200 158.636 -179.627 80.4296 -197.575 364.271 -33.8629 -18.2935 -124.153 99.3943 PRESSAVG: 3989200 2.80933 -42.8057 17.3291 -42.8057 -2.329 0.212655 17.3289 0.212667 15.006 GPRESSAVG: 3989200 3.22999 -44.5043 12.8674 -40.2072 -1.94684 0.869412 17.5082 -1.29922 14.616 TIMING: 3989200 CPU: 12461.7, 0.00310466/step Wall: 12461.7, 0.00310466/step, 0.87172 hours remaining, 234.261719 MB of memory in use. ENERGY: 3989200 3899.3880 20598.8592 14449.0195 238.7320 -203666.1118 3080.0616 0.0000 0.0000 52089.1496 -109310.9020 299.3571 -161400.0516 -108943.5668 299.3907 183.4716 207.4340 762765.2728 5.1621 5.2997 PRESSURE: 3989400 -149.829 -74.393 -31.3688 -74.3931 -439.523 283.998 -31.3684 283.997 51.8142 GPRESSURE: 3989400 -145.074 -194.433 -158.049 -12.3484 -325.88 251.066 62.9537 299.499 4.65181 PRESSAVG: 3989400 30.9446 -16.7117 27.0009 -16.7118 -20.6897 10.922 27.0009 10.9219 -14.3198 GPRESSAVG: 3989400 29.7891 -17.0088 30.5387 -18.9426 -19.2133 11.4206 28.7276 12.2297 -14.4662 TIMING: 3989400 CPU: 12462.3, 0.00311756/step Wall: 12462.3, 0.00311756/step, 0.875169 hours remaining, 234.261719 MB of memory in use. ENERGY: 3989400 3930.7112 20518.1840 14443.1587 242.3632 -203560.6654 2855.7348 0.0000 0.0000 52080.6013 -109489.9121 299.3079 -161570.5135 -109122.7529 299.0208 -179.1793 -155.4339 764877.9752 -1.3549 -1.2968 PRESSURE: 3989600 4.29547 -76.9832 -225.614 -76.9836 -356.655 -10.8446 -225.614 -10.8427 -434.928 GPRESSURE: 3989600 5.26069 -138.354 -339.002 -131.467 -228.198 -73.2806 -143.169 22.2566 -470.623 PRESSAVG: 3989600 40.1693 -33.2858 32.561 -33.2858 -27.824 -22.5631 32.561 -22.563 3.02314 GPRESSAVG: 3989600 40.7691 -31.775 30.9834 -32.0973 -28.7185 -22.1839 33.4683 -23.3299 3.53194 TIMING: 3989600 CPU: 12462.9, 0.00312806/step Wall: 12462.9, 0.00312806/step, 0.877943 hours remaining, 234.261719 MB of memory in use. ENERGY: 3989600 4001.3080 20516.9670 14459.4811 253.2480 -203523.3647 2525.0610 0.0000 0.0000 52043.0942 -109724.2054 299.0924 -161767.2995 -109362.9671 298.6322 -262.4294 -231.1868 762710.5840 5.1228 5.1942 PRESSURE: 3989800 -180.688 80.2439 167.858 80.2428 -156.327 -18.5092 167.858 -18.5084 -41.7399 GPRESSURE: 3989800 -160.51 155.39 170.427 37.6841 -138.567 -9.07719 186.859 -10.847 11.9072 PRESSAVG: 3989800 61.7796 -45.9544 36.6595 -45.9543 -42.3226 -55.3519 36.6595 -55.3519 24.8803 GPRESSAVG: 3989800 61.7993 -46.4893 37.9132 -46.2914 -41.9092 -56.2626 33.7291 -56.4518 24.2246 TIMING: 3989800 CPU: 12463.5, 0.00311288/step Wall: 12463.5, 0.00311288/step, 0.873509 hours remaining, 234.261719 MB of memory in use. ENERGY: 3989800 3937.0258 20462.1383 14439.8621 234.3081 -203398.8429 2753.5385 0.0000 0.0000 52010.1223 -109561.8479 298.9029 -161571.9701 -109203.1857 298.3781 -126.2518 -95.7234 762978.5979 14.7791 14.7049 PRESSURE: 3990000 -160.639 4.99423 -172.697 4.99373 -68.1518 79.5476 -172.697 79.548 -118.267 GPRESSURE: 3990000 -125.244 -10.9833 -185.162 77.1849 -41.8866 91.24 -213.087 29.6643 -109.443 PRESSAVG: 3990000 84.7481 8.49108 47.2229 8.49106 -61.6719 27.2564 47.2228 27.2564 4.42488 GPRESSAVG: 3990000 85.4275 9.01048 46.7289 7.77142 -61.9298 26.5842 48.3517 28.97 3.85656 TIMING: 3990000 CPU: 12464.2, 0.00309506/step Wall: 12464.2, 0.00309506/step, 0.868336 hours remaining, 234.261719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3990000 4026.1187 20510.7573 14540.5579 271.0745 -203537.7892 2739.5522 0.0000 0.0000 52104.3740 -109345.3546 299.4446 -161449.7286 -108995.5030 299.0579 -115.6857 -92.1912 762396.0559 9.1670 9.1181 PRESSURE: 3990200 -256.802 -0.322124 -100.709 -0.322299 -335.652 347.553 -100.708 347.553 -385.452 GPRESSURE: 3990200 -230.658 -53.5127 -81.1008 96.0826 -297.475 338.186 -147.844 319.597 -365.705 PRESSAVG: 3990200 -6.37156 -31.8073 37.5483 -31.8073 31.9067 47.7073 37.5483 47.7073 5.53765 GPRESSAVG: 3990200 -6.5481 -31.5839 36.3807 -30.6262 30.5725 50.3267 36.4465 46.5091 6.91976 TIMING: 3990200 CPU: 12464.8, 0.0030934/step Wall: 12464.8, 0.0030934/step, 0.867699 hours remaining, 234.261719 MB of memory in use. ENERGY: 3990200 4038.0664 20478.6016 14522.0020 247.0167 -203053.2339 2348.9614 0.0000 0.0000 52083.0089 -109335.5770 299.3218 -161418.5859 -108971.0154 299.3883 -325.9685 -297.9457 763440.6832 10.3576 10.3147 PRESSURE: 3990400 116.081 -82.7913 141.269 -82.7908 68.9431 326.795 141.27 326.796 -427.026 GPRESSURE: 3990400 76.9616 -48.3702 28.9168 -190.474 192.626 313.876 206.295 214.766 -442.715 PRESSAVG: 3990400 0.806935 -1.26854 18.4715 -1.2685 -29.1245 10.4801 18.4715 10.4801 9.86193 GPRESSAVG: 3990400 -0.445558 0.715718 18.806 -2.41933 -28.414 9.79027 20.4889 11.5848 9.91002 TIMING: 3990400 CPU: 12465.4, 0.0030959/step Wall: 12465.4, 0.0030959/step, 0.868228 hours remaining, 234.261719 MB of memory in use. ENERGY: 3990400 4056.5622 20510.9018 14483.2346 245.3346 -203670.5839 2910.4502 0.0000 0.0000 52193.0768 -109271.0237 299.9543 -161464.1005 -108910.6859 299.0249 -80.6675 -57.7090 764408.1314 -6.1519 -6.3165 PRESSURE: 3990600 -309.148 50.4138 -62.8503 50.4142 -251.505 51.391 -62.8508 51.3912 -111.032 GPRESSURE: 3990600 -242.659 -41.4339 -24.3985 -75.9254 -271.407 109.668 -223.277 -10.0125 -84.3551 PRESSAVG: 3990600 -1.53502 -40.3503 -10.9139 -40.3503 39.0968 60.3139 -10.9139 60.314 12.9278 GPRESSAVG: 3990600 -0.559653 -38.9217 -8.74041 -40.8885 39.422 60.4783 -10.8936 59.6038 11.9288 TIMING: 3990600 CPU: 12466, 0.00310105/step Wall: 12466, 0.00310106/step, 0.869501 hours remaining, 234.261719 MB of memory in use. ENERGY: 3990600 4002.9775 20517.3110 14441.1188 266.1442 -203313.1295 2673.7853 0.0000 0.0000 52047.0287 -109364.7639 299.1150 -161411.7927 -109004.4636 299.3430 -223.8949 -199.4738 762913.8226 16.8299 16.9304 PRESSURE: 3990800 329.234 -130.157 -46.555 -130.157 16.8499 42.5683 -46.5547 42.5675 -180.682 GPRESSURE: 3990800 376.651 -25.5094 -81.1357 -111.53 46.13 86.9548 -30.0825 49.6692 -160.328 PRESSAVG: 3990800 0.376745 5.84927 -39.5363 5.84928 27.7421 6.65534 -39.5364 6.65543 1.287 GPRESSAVG: 3990800 0.982464 1.49491 -41.5396 7.39858 26.0639 4.43055 -40.783 5.86854 2.56439 TIMING: 3990800 CPU: 12466.6, 0.00310795/step Wall: 12466.6, 0.00310795/step, 0.871263 hours remaining, 234.261719 MB of memory in use. ENERGY: 3990800 4022.3087 20590.7026 14462.5004 222.2834 -203416.4716 2742.2498 0.0000 0.0000 51923.0071 -109453.4196 298.4022 -161376.4267 -109093.3405 299.3186 55.1340 87.4841 762091.3377 9.8019 9.8703 PRESSURE: 3991000 58.7451 -78.1337 -45.262 -78.134 -126.309 147.435 -45.2629 147.435 -14.6941 GPRESSURE: 3991000 81.3932 7.98623 -49.087 116.82 -119.306 172.941 6.49393 261.974 44.4779 PRESSAVG: 3991000 32.2849 13.539 -30.735 13.5389 -67.7791 16.0723 -30.7351 16.0724 6.05404 GPRESSAVG: 3991000 31.6901 15.7289 -29.6665 12.2381 -65.9081 18.9605 -30.0951 16.1523 4.88995 TIMING: 3991000 CPU: 12467.3, 0.00311521/step Wall: 12467.3, 0.00311521/step, 0.873124 hours remaining, 234.261719 MB of memory in use. ENERGY: 3991000 4049.4561 20304.2136 14407.4683 254.2641 -202893.7318 2527.1061 0.0000 0.0000 52115.0824 -109236.1411 299.5061 -161351.2235 -108871.9335 299.0588 -27.4195 2.1885 763232.5547 -9.8134 -9.7760 PRESSURE: 3991200 100.127 -86.703 -6.38305 -86.703 117.904 -138.292 -6.38298 -138.291 -163.286 GPRESSURE: 3991200 172.597 -111.923 -3.31818 37.9911 80.2694 -133.68 -45.2012 53.4798 -110.632 PRESSAVG: 3991200 26.2447 18.911 -32.2483 18.911 -33.954 -18.6639 -32.2482 -18.6639 -17.4841 GPRESSAVG: 3991200 24.9289 17.5423 -34.0241 20.5338 -34.0201 -18.9745 -33.0617 -18.7217 -16.4729 TIMING: 3991200 CPU: 12467.9, 0.00310463/step Wall: 12467.9, 0.00310463/step, 0.869985 hours remaining, 234.261719 MB of memory in use. ENERGY: 3991200 3940.0957 20546.8050 14470.4267 250.4408 -203103.5246 2674.3745 0.0000 0.0000 52109.0251 -109112.3566 299.4713 -161221.3818 -108751.6772 299.3687 18.2486 47.4114 764194.7104 -8.3978 -8.5214 PRESSURE: 3991400 192.461 -154.93 93.5827 -154.93 -264.553 146.036 93.5823 146.036 223.01 GPRESSURE: 3991400 215.786 -63.3027 54.9278 -190.809 -170.391 120.083 140.364 118.876 184.4 PRESSAVG: 3991400 60.2485 -10.2085 -0.482206 -10.2085 -19.6963 -31.9195 -0.482208 -31.9195 12.736 GPRESSAVG: 3991400 62.2502 -11.2275 1.43536 -9.88849 -19.9731 -33.1511 -1.78591 -33.2285 10.6301 TIMING: 3991400 CPU: 12468.5, 0.00310964/step Wall: 12468.5, 0.00310964/step, 0.871217 hours remaining, 234.261719 MB of memory in use. ENERGY: 3991400 3957.0546 20381.5811 14442.8284 246.9067 -202697.7080 2249.0929 0.0000 0.0000 52148.8886 -109271.3557 299.7004 -161420.2443 -108908.0765 298.8636 50.3059 76.5981 763989.0121 17.7627 17.6357 PRESSURE: 3991600 -193.105 43.0485 99.0043 43.0489 -153.408 6.37901 99.0051 6.37935 -59.4757 GPRESSURE: 3991600 -171.657 73.2545 95.2061 102.158 -74.0504 50.3101 53.3579 -152.979 -88.7441 PRESSAVG: 3991600 14.0067 28.557 -13.7165 28.5571 -27.2043 19.3444 -13.7165 19.3445 21.008 GPRESSAVG: 3991600 13.3137 30.8591 -14.402 27.0151 -27.8547 19.0496 -11.7709 19.5335 22.5951 TIMING: 3991600 CPU: 12469.1, 0.0031114/step Wall: 12469.1, 0.0031114/step, 0.871538 hours remaining, 234.261719 MB of memory in use. ENERGY: 3991600 4018.1458 20618.8832 14424.0348 251.5836 -203436.2829 2646.4142 0.0000 0.0000 52137.9236 -109339.2977 299.6374 -161477.2213 -108981.9781 299.3468 -135.3294 -111.4837 762440.8670 2.6035 2.6847 PRESSURE: 3991800 -5.00548 30.1291 -6.98829 30.1298 -368.261 44.5252 -6.98844 44.5258 76.7075 GPRESSURE: 3991800 -57.0227 30.7346 -9.38067 -105.447 -294.671 -17.3295 50.8878 196.807 148.439 PRESSAVG: 3991800 16.9274 53.4503 -21.1876 53.4503 -49.2903 4.56539 -21.1876 4.5653 7.70004 GPRESSAVG: 3991800 16.2726 53.5478 -21.6016 52.9597 -49.1126 4.53387 -20.5198 5.83377 8.01761 TIMING: 3991800 CPU: 12469.7, 0.00310128/step Wall: 12469.7, 0.00310128/step, 0.86853 hours remaining, 234.261719 MB of memory in use. ENERGY: 3991800 3938.3763 20500.5915 14410.6767 248.8016 -203007.3721 2410.5402 0.0000 0.0000 52067.8702 -109430.5154 299.2348 -161498.3856 -109063.4197 299.1054 -98.8530 -67.7514 762974.5460 -8.2210 -8.2741 PRESSURE: 3992000 30.8521 88.7915 74.7665 88.7919 -108.128 144.523 74.7666 144.523 63.7111 GPRESSURE: 3992000 41.8618 82.6427 93.4353 51.8254 32.8361 166.266 34.8296 223.895 -3.67803 PRESSAVG: 3992000 25.6333 -14.9046 -16.1404 -14.9046 -8.91931 0.675911 -16.1403 0.675929 -0.0300695 GPRESSAVG: 3992000 26.1072 -14.1088 -16.2618 -13.7085 -8.0791 2.19344 -16.7757 0.332042 -1.50955 TIMING: 3992000 CPU: 12470.4, 0.00312141/step Wall: 12470.4, 0.00312141/step, 0.873995 hours remaining, 234.261719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3992000 3925.1677 20530.6840 14421.3578 234.3198 -203459.2968 2881.1477 0.0000 0.0000 52082.4948 -109384.1250 299.3188 -161466.6197 -109016.6373 299.5348 -4.5217 23.6733 762210.6102 5.5613 5.5062 PRESSURE: 3992200 -84.1916 191.281 97.6219 191.281 -112.059 -188.88 97.6219 -188.88 -41.5538 GPRESSURE: 3992200 -67.578 179.151 108.496 244.099 -130.085 -157.807 196.452 -97.1081 36.1556 PRESSAVG: 3992200 22.9524 14.719 -11.0775 14.7191 -13.3917 -14.5928 -11.0775 -14.5928 -10.5126 GPRESSAVG: 3992200 22.9733 13.2853 -11.0607 15.7168 -13.7202 -15.0008 -12.0435 -14.9883 -10.3243 TIMING: 3992200 CPU: 12471, 0.00310586/step Wall: 12471, 0.00310586/step, 0.869469 hours remaining, 234.261719 MB of memory in use. ENERGY: 3992200 3945.3401 20485.7356 14515.7941 239.3644 -202812.4515 2368.0728 0.0000 0.0000 52282.6680 -108975.4766 300.4692 -161258.1446 -108609.6421 299.5861 -79.2681 -53.8359 761893.5367 -0.3173 -0.3571 LDB: ============= START OF LOAD BALANCING ============== 12483.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12483.5 LDB: =============== DONE WITH MIGRATION ================ 12483.5 LDB: ============= START OF LOAD BALANCING ============== 12483.8 LDB: Largest compute 7059 load 0.028340 is 14.5% of average load 0.195291 LDB: Average compute 0.004419 is 2.3% of average load 0.195291 LDB: TIME 12483.8 LOAD: AVG 0.195291 MAX 0.220307 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.895 MB LDB: TIME 12483.8 LOAD: AVG 0.195291 MAX 0.220307 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.078 MB LDB: TIME 12483.8 LOAD: AVG 0.195291 MAX 0.214104 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.078 MB LDB: ============== END OF LOAD BALANCING =============== 12483.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12483.8 PRESSURE: 3992400 153.681 42.6957 -219.331 42.6961 -122.805 39.8983 -219.33 39.8988 386.342 GPRESSURE: 3992400 167.533 -13.7607 -175.638 93.8977 -67.5049 4.97974 -184.997 110.407 414.243 PRESSAVG: 3992400 -42.9233 -2.31401 -51.304 -2.31396 9.38495 -0.410098 -51.304 -0.41013 2.28032 GPRESSAVG: 3992400 -44.3726 -3.44448 -50.1805 -3.34549 9.66429 -1.40648 -50.2439 -1.35774 3.18166 TIMING: 3992400 CPU: 12471.6, 0.00319554/step Wall: 12471.6, 0.00319554/step, 0.894397 hours remaining, 235.332031 MB of memory in use. ENERGY: 3992400 3975.5286 20555.8611 14501.6034 231.2174 -203418.6388 3049.5153 0.0000 0.0000 52158.5462 -108946.3668 299.7559 -161104.9130 -108591.4113 300.0572 139.0728 171.4237 760484.0965 -10.4193 -10.5089 PRESSURE: 3992600 -4.22677 -29.2629 -31.2348 -29.2625 210.292 47.7383 -31.2354 47.7381 -99.3882 GPRESSURE: 3992600 24.8125 -3.67446 -74.193 -19.4454 196.145 -5.2586 -123.508 50.2899 -16.0136 PRESSAVG: 3992600 8.78476 -16.5721 -46.9489 -16.5721 -20.1306 4.40613 -46.9489 4.4061 6.23715 GPRESSAVG: 3992600 9.56787 -15.4022 -47.7674 -17.6403 -21.6376 3.26605 -47.9317 5.36827 6.74164 TIMING: 3992600 CPU: 12472.3, 0.00311798/step Wall: 12472.3, 0.00311798/step, 0.872516 hours remaining, 235.625000 MB of memory in use. ENERGY: 3992600 3954.5672 20685.3802 14482.1139 233.2363 -203135.1210 2581.6364 0.0000 0.0000 52006.8816 -109191.3054 298.8843 -161198.1869 -108836.7839 300.3512 35.5591 68.3145 761377.6788 -1.7029 -1.7760 PRESSURE: 3992800 32.3266 194.718 66.3525 194.718 -261.158 9.5129 66.3526 9.51253 -323.467 GPRESSURE: 3992800 -1.64268 181.778 66.5012 181.517 -206.307 96.432 65.0033 -36.6869 -260.585 PRESSAVG: 3992800 12.7445 41.7361 -51.2112 41.7361 -33.8515 -10.7645 -51.2112 -10.7646 -2.30627 GPRESSAVG: 3992800 12.9635 43.6666 -50.1334 41.8995 -33.546 -9.96463 -51.3307 -11.4878 -2.80246 TIMING: 3992800 CPU: 12472.9, 0.00311141/step Wall: 12472.9, 0.00311141/step, 0.870502 hours remaining, 235.625000 MB of memory in use. ENERGY: 3992800 4069.0144 20470.3706 14517.7952 266.8893 -203015.6525 2459.4748 0.0000 0.0000 52039.0612 -109193.0469 299.0692 -161232.1081 -108821.9013 299.6477 -184.0995 -156.1784 761805.3877 -7.8044 -7.7950 PRESSURE: 3993000 -291.831 -77.3594 -219.312 -77.3602 -267.107 -398.808 -219.312 -398.809 107.298 GPRESSURE: 3993000 -92.5735 6.2162 -271.502 -118.383 -301.605 -310.858 -323.053 -445.567 29.2655 PRESSAVG: 3993000 34.6398 -5.46526 -54.027 -5.46527 -52.354 -62.7236 -54.027 -62.7237 -17.0984 GPRESSAVG: 3993000 35.9008 -4.97848 -53.0603 -3.14786 -52.7435 -61.6753 -56.0486 -61.2438 -18.1038 TIMING: 3993000 CPU: 12473.5, 0.00310868/step Wall: 12473.5, 0.00310868/step, 0.869567 hours remaining, 235.640625 MB of memory in use. ENERGY: 3993000 3983.6480 20571.7083 14403.6730 242.5609 -203274.0810 2563.6344 0.0000 0.0000 52206.8233 -109302.0330 300.0333 -161508.8564 -108945.5954 299.4998 -150.5467 -121.6375 761857.2189 -11.6042 -11.6488 PRESSURE: 3993200 42.2512 -42.4093 114.791 -42.4093 -223.342 -102.858 114.792 -102.858 160.054 GPRESSURE: 3993200 79.4642 -184.979 119.01 70.3891 -214.95 -81.5872 197.932 -62.735 198.448 PRESSAVG: 3993200 33.5216 -4.96666 -32.5553 -4.96665 4.25573 21.6625 -32.5553 21.6625 8.00432 GPRESSAVG: 3993200 31.6165 -7.82527 -34.1059 -6.09376 5.34708 22.3198 -30.239 20.6411 7.83421 TIMING: 3993200 CPU: 12474.1, 0.00311507/step Wall: 12474.1, 0.00311507/step, 0.871183 hours remaining, 235.640625 MB of memory in use. ENERGY: 3993200 3964.3994 20511.8142 14471.0605 260.4486 -203016.2891 2732.4803 0.0000 0.0000 52220.2066 -108855.8795 300.1102 -161076.0861 -108487.4207 299.7212 -7.0121 20.9873 763113.8352 15.2606 14.9326 PRESSURE: 3993400 -111.26 162.34 -60.0262 162.34 -103.791 -37.6054 -60.0256 -37.6056 -324.879 GPRESSURE: 3993400 -67.536 181.373 -67.1389 27.9742 -3.25004 -80.8998 -77.5848 6.65732 -376.721 PRESSAVG: 3993400 21.9208 -32.8352 57.9178 -32.8353 -21.6458 -3.64743 57.9177 -3.64743 6.10347 GPRESSAVG: 3993400 23.4541 -32.5448 57.703 -32.0736 -22.6975 -5.54529 56.1738 -2.35685 5.87189 TIMING: 3993400 CPU: 12474.7, 0.0031115/step Wall: 12474.7, 0.0031115/step, 0.87001 hours remaining, 235.640625 MB of memory in use. ENERGY: 3993400 4003.4975 20497.3499 14512.3792 264.2990 -202752.0067 2503.3752 0.0000 0.0000 52251.6249 -108719.4810 300.2908 -160971.1059 -108362.2099 300.3612 -179.9765 -149.1691 763053.1137 2.1262 2.2095 PRESSURE: 3993600 -275.486 -26.665 114.475 -26.6646 -72.3899 2.66631 114.475 2.66537 -39.4312 GPRESSURE: 3993600 -190.545 -22.4986 74.8782 -17.1201 -71.7178 -11.2776 84.0882 18.6397 -40.6169 PRESSAVG: 3993600 38.4682 39.9767 -53.2926 39.9766 19.5363 10.0295 -53.2926 10.0296 -20.4774 GPRESSAVG: 3993600 36.8551 39.5702 -53.394 39.312 18.6038 9.86597 -53.4489 9.72368 -17.6365 TIMING: 3993600 CPU: 12475.4, 0.00311319/step Wall: 12475.4, 0.00311319/step, 0.87031 hours remaining, 235.640625 MB of memory in use. ENERGY: 3993600 3991.2169 20454.2694 14426.2839 255.4278 -202457.4944 2399.7814 0.0000 0.0000 52154.2670 -108776.2480 299.7313 -160930.5150 -108410.4669 300.0014 -129.1023 -100.9598 764446.1832 12.5091 12.6075 PRESSURE: 3993800 -286.125 314.381 72.7766 314.381 105.397 102.804 72.7762 102.804 -111.442 GPRESSURE: 3993800 -123.822 311.299 153.768 261.825 -3.28812 90.4028 -36.1826 115.93 -106.406 PRESSAVG: 3993800 2.18827 4.39451 -3.2674 4.39456 -23.7986 20.516 -3.26745 20.516 -3.71357 GPRESSAVG: 3993800 2.62217 6.01547 -3.07631 6.68825 -22.5674 20.3266 -1.56479 20.013 -5.71133 TIMING: 3993800 CPU: 12476, 0.00312034/step Wall: 12476, 0.00312034/step, 0.872135 hours remaining, 235.640625 MB of memory in use. ENERGY: 3993800 3960.8618 20401.0742 14521.4205 265.6937 -202878.2358 2584.0933 0.0000 0.0000 52474.4669 -108670.6255 301.5715 -161145.0924 -108303.2755 300.2089 -97.3901 -77.8385 764030.9132 -8.4413 -8.5522 PRESSURE: 3994000 178.906 -80.3218 -74.4926 -80.322 201.855 -60.1804 -74.4934 -60.1801 -235.424 GPRESSURE: 3994000 193.75 -150.816 -4.6402 -123.804 207.063 -80.3755 -63.6343 -96.8002 -183.195 PRESSAVG: 3994000 13.1615 32.2829 -44.0774 32.2829 3.83033 46.6904 -44.0774 46.6904 11.7608 GPRESSAVG: 3994000 14.0646 30.5774 -43.8686 31.4172 3.31019 47.212 -43.6224 47.1488 11.0733 TIMING: 3994000 CPU: 12476.6, 0.00311087/step Wall: 12476.6, 0.00311087/step, 0.869315 hours remaining, 235.640625 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: 3994000 3961.6466 20666.1236 14481.1487 252.2606 -202877.3233 2597.5874 0.0000 0.0000 52252.1200 -108666.4364 300.2937 -160918.5564 -108315.2370 300.8861 48.4459 72.5391 763893.7188 9.5842 9.4827 PRESSURE: 3994200 -117.616 54.1985 -33.6081 54.1984 -266.476 32.3693 -33.6089 32.3688 121.299 GPRESSURE: 3994200 -141.68 102.925 -98.208 -134.016 -210.554 141.815 40.1786 -42.8022 146.961 PRESSAVG: 3994200 -15.6407 5.17653 -4.97042 5.17652 48.9506 -10.6254 -4.97046 -10.6254 -3.50424 GPRESSAVG: 3994200 -16.0984 4.96661 -5.31724 4.70979 49.6374 -10.7149 -6.38214 -10.7371 -3.56888 TIMING: 3994200 CPU: 12477.2, 0.00313069/step Wall: 12477.2, 0.00313069/step, 0.87468 hours remaining, 235.640625 MB of memory in use. ENERGY: 3994200 3994.0816 20531.0408 14459.9465 265.1145 -202815.1057 2600.0033 0.0000 0.0000 52155.6359 -108809.2831 299.7392 -160964.9190 -108433.8156 300.6548 -87.5976 -68.4244 764162.1450 9.9352 9.9900 PRESSURE: 3994400 312.274 -18.6112 -20.609 -18.6114 209.49 -108.766 -20.6104 -108.766 266.678 GPRESSURE: 3994400 342.475 56.7024 -88.7014 40.54 204.193 -65.5082 -30.0251 -213.403 340.6 PRESSAVG: 3994400 -15.4857 36.7682 27.24 36.7682 39.9833 1.15107 27.24 1.151 -12.9088 GPRESSAVG: 3994400 -14.8412 39.3497 27.052 35.7879 38.7176 1.07992 25.7667 0.00468162 -12.0806 TIMING: 3994400 CPU: 12477.9, 0.00312534/step Wall: 12477.9, 0.00312534/step, 0.87301 hours remaining, 235.640625 MB of memory in use. ENERGY: 3994400 3985.9675 20663.3569 14425.1214 220.2745 -203398.7896 2856.5280 0.0000 0.0000 52352.0925 -108895.4489 300.8682 -161247.5414 -108524.1747 300.1034 262.8140 295.7564 763294.8373 3.8630 3.9319 PRESSURE: 3994600 -235.748 -8.85126 -320.923 -8.85037 299.623 -70.2001 -320.923 -70.2001 54.3602 GPRESSURE: 3994600 -235.358 -1.12275 -304.349 58.8274 379.824 12.74 -258.601 -56.4949 61.5552 PRESSAVG: 3994600 -29.055 62.3986 -8.08795 62.3987 34.913 13.0298 -8.08794 13.0298 22.0083 GPRESSAVG: 3994600 -30.1371 62.1106 -8.15468 62.6637 35.6964 12.8752 -6.07922 15.4926 22.026 TIMING: 3994600 CPU: 12478.5, 0.00311952/step Wall: 12478.5, 0.00311952/step, 0.871213 hours remaining, 235.640625 MB of memory in use. ENERGY: 3994600 4084.1192 20546.6757 14505.3051 255.7656 -203233.8841 2839.6318 0.0000 0.0000 52322.2136 -108680.1732 300.6965 -161002.3868 -108315.9995 300.4759 39.4116 68.6739 762826.8462 9.2888 9.1951 PRESSURE: 3994800 149.243 -12.0804 169.296 -12.0812 -162.308 29.6578 169.295 29.658 325.401 GPRESSURE: 3994800 191.935 -69.7174 186.262 104.948 -122.247 8.60394 92.2363 -3.44049 309.998 PRESSAVG: 3994800 22.3883 32.5028 -11.2882 32.5027 25.8597 -5.13136 -11.2882 -5.13139 19.5281 GPRESSAVG: 3994800 22.1067 30.8401 -10.2056 33.8556 25.8488 -5.08417 -12.1811 -4.13824 19.9556 TIMING: 3994800 CPU: 12479.1, 0.00311014/step Wall: 12479.1, 0.00311014/step, 0.868421 hours remaining, 235.640625 MB of memory in use. ENERGY: 3994800 4163.2913 20751.3150 14458.1308 225.7306 -203482.5673 3044.1357 0.0000 0.0000 52134.4757 -108705.4883 299.6175 -160839.9639 -108353.9862 300.3381 104.1119 126.5618 761701.1567 22.5920 22.6370 PRESSURE: 3995000 -440.656 57.4819 -41.8079 57.4825 221.026 243.11 -41.8083 243.11 -307.055 GPRESSURE: 3995000 -371.379 31.1602 -14.6839 45.1989 193.346 156.471 -99.9503 245.026 -265.796 PRESSAVG: 3995000 -31.4514 -10.7754 19.8854 -10.7755 37.0337 10.9832 19.8854 10.9832 -0.564009 GPRESSAVG: 3995000 -31.8042 -9.09938 19.8481 -11.3152 37.6377 10.5872 20.3309 10.0143 -1.25268 TIMING: 3995000 CPU: 12479.7, 0.00311422/step Wall: 12479.7, 0.00311422/step, 0.869386 hours remaining, 235.640625 MB of memory in use. ENERGY: 3995000 4021.8739 20658.8916 14432.2152 234.7994 -202763.9002 2318.3371 0.0000 0.0000 52355.7951 -108741.9879 300.8895 -161097.7829 -108378.1145 300.1989 -175.5618 -147.9431 762680.6579 1.6728 1.5269 PRESSURE: 3995200 62.4013 81.1191 -67.757 81.1194 276.086 96.4616 -67.7568 96.4612 -111.112 GPRESSURE: 3995200 175.995 -47.1765 -34.4284 106.038 178.937 117.536 34.9712 166.71 -45.7343 PRESSAVG: 3995200 -21.9176 -7.0553 24.8322 -7.05525 26.5781 53.1173 24.8322 53.1173 -30.0664 GPRESSAVG: 3995200 -21.6517 -8.7031 23.1264 -5.7172 25.0346 53.7561 24.4091 50.1206 -28.9765 TIMING: 3995200 CPU: 12480.4, 0.00311181/step Wall: 12480.4, 0.00311181/step, 0.86854 hours remaining, 235.640625 MB of memory in use. ENERGY: 3995200 4028.1717 20780.9241 14452.6923 255.3594 -203381.3640 2674.6791 0.0000 0.0000 52209.0195 -108980.5179 300.0460 -161189.5374 -108616.2580 300.5865 75.7919 103.0661 761130.1403 -8.4686 -8.5312 PRESSURE: 3995400 -89.163 53.0702 53.8979 53.0701 40.4062 -50.9111 53.8978 -50.9122 239.877 GPRESSURE: 3995400 -71.6021 138.649 0.417841 -18.881 87.1414 -23.1263 56.8043 -88.6443 257.866 PRESSAVG: 3995400 54.4001 -52.054 -12.7002 -52.0539 -27.243 6.99712 -12.7001 6.99714 17.3995 GPRESSAVG: 3995400 54.1477 -51.2949 -12.6191 -52.5601 -26.7868 7.16608 -12.4924 8.55405 16.9493 TIMING: 3995400 CPU: 12481, 0.00311394/step Wall: 12481, 0.00311394/step, 0.868963 hours remaining, 235.640625 MB of memory in use. ENERGY: 3995400 3998.1138 20593.8791 14560.6153 270.7084 -203140.9821 2616.3670 0.0000 0.0000 52022.8465 -109078.4520 298.9760 -161101.2985 -108722.5280 299.8557 63.7067 91.1351 762753.8281 14.8522 14.7700 PRESSURE: 3995600 -125.28 -5.39262 119.168 -5.39293 -14.504 -185.003 119.168 -185.002 -121.862 GPRESSURE: 3995600 -43.2792 60.5939 193.119 6.7933 -67.825 -35.7521 113.608 -227.376 -63.494 PRESSAVG: 3995600 -27.3241 -36.8016 -20.5162 -36.8016 4.60683 -13.6866 -20.5163 -13.6866 10.9218 GPRESSAVG: 3995600 -26.4699 -37.9681 -19.3158 -37.7283 4.66322 -14.3188 -21.4281 -12.5907 10.6169 TIMING: 3995600 CPU: 12481.6, 0.00311685/step Wall: 12481.6, 0.00311685/step, 0.869602 hours remaining, 235.640625 MB of memory in use. ENERGY: 3995600 3956.6554 20601.6112 14433.2813 238.3715 -203129.4770 2448.6186 0.0000 0.0000 52448.2613 -109002.6776 301.4209 -161450.9389 -108633.5704 299.8297 -87.2152 -58.1994 762602.5268 -3.9318 -3.7299 PRESSURE: 3995800 -30.1463 -194.596 86.4911 -194.595 464.987 -239.876 86.4905 -239.875 408.364 GPRESSURE: 3995800 95.2392 -103.747 9.53098 -48.0871 387.259 -228.291 129.562 -228.134 442.19 PRESSAVG: 3995800 7.29612 -28.8753 -6.55345 -28.8754 -12.9124 -21.4226 -6.55342 -21.4225 7.18923 GPRESSAVG: 3995800 9.16226 -27.7871 -7.85581 -28.1825 -14.484 -21.2499 -3.57011 -22.3822 6.20373 TIMING: 3995800 CPU: 12482.2, 0.00310382/step Wall: 12482.2, 0.00310382/step, 0.865793 hours remaining, 235.640625 MB of memory in use. ENERGY: 3995800 3918.4244 20693.8697 14513.6387 230.6942 -203649.5183 3088.5445 0.0000 0.0000 52117.1919 -109087.1549 299.5182 -161204.3468 -108729.0108 300.0695 281.0682 308.2294 762345.5473 0.5243 0.2940 PRESSURE: 3996000 -318.41 -22.1731 34.3379 -22.1729 40.2692 225.121 34.3376 225.121 -385.776 GPRESSURE: 3996000 -237.003 -139.001 20.0146 133.084 -18.6726 207.335 46.0645 70.9556 -334.915 PRESSAVG: 3996000 25.1133 -2.78342 -47.9311 -2.78336 -50.3728 -4.68961 -47.9312 -4.68958 6.30791 GPRESSAVG: 3996000 23.1094 -2.45378 -48.3831 -3.05135 -48.1964 -5.01247 -50.5542 -5.77846 6.31098 TIMING: 3996000 CPU: 12482.8, 0.00311829/step Wall: 12482.8, 0.00311829/step, 0.869657 hours remaining, 235.640625 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: 3996000 4013.2776 20654.7646 14457.3093 242.4920 -203034.6288 2424.9583 0.0000 0.0000 52006.0966 -109235.7304 298.8798 -161241.8271 -108880.1980 299.3935 -221.3057 -196.8633 762551.2995 -6.3172 -6.2587 PRESSURE: 3996200 -387.29 -133.357 -113.894 -133.357 -220.524 396.056 -113.894 396.055 -245.037 GPRESSURE: 3996200 -223.5 -165.325 -69.325 -173.767 -218.489 314.828 -128.887 350.853 -320.629 PRESSAVG: 3996200 -33.0462 -32.6468 19.652 -32.6468 6.10114 -6.52658 19.652 -6.52659 -11.5816 GPRESSAVG: 3996200 -31.8203 -34.5839 22.2511 -33.5034 5.01561 -6.09022 19.6193 -6.05312 -10.8756 TIMING: 3996200 CPU: 12483.5, 0.00311372/step Wall: 12483.5, 0.00311372/step, 0.86821 hours remaining, 235.640625 MB of memory in use. ENERGY: 3996200 4007.5514 20537.2316 14384.0531 252.2611 -202812.4623 2476.5621 0.0000 0.0000 52047.6939 -109107.1092 299.1188 -161154.8031 -108735.5046 299.2695 -284.2837 -254.2061 762943.0270 -12.8422 -12.5601 LDB: ============= START OF LOAD BALANCING ============== 12495.9 LDB: ============== END OF LOAD BALANCING =============== 12495.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12495.9 LDB: ============= START OF LOAD BALANCING ============== 12496.3 LDB: Largest compute 6998 load 0.029313 is 15.0% of average load 0.195173 LDB: Average compute 0.004417 is 2.3% of average load 0.195173 LDB: TIME 12496.3 LOAD: AVG 0.195173 MAX 0.213108 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.52 MB LDB: TIME 12496.3 LOAD: AVG 0.195173 MAX 0.213108 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.555 MB LDB: TIME 12496.3 LOAD: AVG 0.195173 MAX 0.213108 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.555 MB LDB: ============== END OF LOAD BALANCING =============== 12496.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12496.3 PRESSURE: 3996400 82.5752 -111.723 -114.121 -111.723 -87.9558 -28.433 -114.121 -28.4325 268.38 GPRESSURE: 3996400 86.122 -158.471 -98.5285 -52.7496 -37.1558 -86.0589 -98.8865 -13.4535 303.621 PRESSAVG: 3996400 1.15831 9.85443 37.8733 9.85437 11.8605 13.0109 37.8733 13.011 -8.68634 GPRESSAVG: 3996400 0.607245 10.7678 36.5582 8.416 12.2081 13.1041 37.3462 14.6372 -7.9674 TIMING: 3996400 CPU: 12484.1, 0.00319692/step Wall: 12484.1, 0.00319692/step, 0.89123 hours remaining, 235.859375 MB of memory in use. ENERGY: 3996400 3980.2707 20339.0159 14506.5242 258.1284 -203035.0468 2548.1184 0.0000 0.0000 52227.6355 -109175.3537 300.1529 -161402.9892 -108811.5969 299.8263 87.6664 117.5292 763332.6039 1.4441 1.6160 PRESSURE: 3996600 -88.8846 203.719 -221.607 203.72 -117.053 -124.427 -221.607 -124.426 -162.48 GPRESSURE: 3996600 -92.2225 233.095 -199.955 221.105 -96.1927 -58.239 -146.885 -180.14 -104.026 PRESSAVG: 3996600 -31.3299 20.08 -13.5646 20.08 39.5058 -39.6073 -13.5646 -39.6073 13.675 GPRESSAVG: 3996600 -31.5407 20.643 -13.0058 21.3964 40.0839 -40.2316 -11.9916 -40.7441 13.6422 TIMING: 3996600 CPU: 12484.7, 0.00311521/step Wall: 12484.7, 0.00311521/step, 0.868278 hours remaining, 235.925781 MB of memory in use. ENERGY: 3996600 3923.6847 20574.8524 14446.6423 234.7000 -202970.9668 2416.1006 0.0000 0.0000 52247.2211 -109127.7656 300.2655 -161374.9867 -108762.2097 299.3374 -122.8060 -97.4803 763563.3794 7.2837 7.3951 PRESSURE: 3996800 -94.9141 2.34698 -72.6256 2.34843 -17.9554 -196.324 -72.6255 -196.324 387.483 GPRESSURE: 3996800 84.7009 -54.0593 -12.508 -25.6001 -28.3129 -218.164 10.5023 -140.673 312.848 PRESSAVG: 3996800 22.0861 -6.31611 -27.2346 -6.31605 24.1591 -62.2403 -27.2346 -62.2403 9.60721 GPRESSAVG: 3996800 22.6447 -4.85194 -27.3983 -8.71846 24.415 -61.3437 -26.4248 -62.7834 8.58718 TIMING: 3996800 CPU: 12485.4, 0.00311548/step Wall: 12485.4, 0.00311548/step, 0.868182 hours remaining, 235.925781 MB of memory in use. ENERGY: 3996800 3999.0215 20531.7156 14494.5869 261.4751 -203836.2604 2978.6382 0.0000 0.0000 52331.9860 -109238.8372 300.7526 -161570.8231 -108869.6528 299.5381 91.5378 123.0787 762976.0884 18.6175 18.5489 PRESSURE: 3997000 -241.923 -146.642 -7.1291 -146.642 -302.067 56.6202 -7.12917 56.6191 23.0754 GPRESSURE: 3997000 -183.742 -231.747 12.7508 -107.035 -308.957 139.955 20.092 -42.3107 52.34 PRESSAVG: 3997000 -22.2914 -4.98093 -31.0666 -4.98095 -38.7757 -24.219 -31.0666 -24.219 13.7775 GPRESSAVG: 3997000 -20.2245 -7.36333 -30.9645 -2.99047 -39.5725 -23.7932 -32.3592 -23.0409 13.0972 TIMING: 3997000 CPU: 12486, 0.00309708/step Wall: 12486, 0.00309708/step, 0.862882 hours remaining, 235.925781 MB of memory in use. ENERGY: 3997000 4024.0171 20474.8768 14520.0114 263.8799 -203066.0808 2603.9242 0.0000 0.0000 51882.4041 -109296.9671 298.1689 -161179.3713 -108929.2092 299.2018 -173.6380 -146.7865 765057.5443 -15.7632 -15.5666 PRESSURE: 3997200 35.2166 56.5505 354.276 56.5501 -36.9273 165.314 354.275 165.314 -174.076 GPRESSURE: 3997200 -3.3812 -27.7095 306.382 137.875 -37.4234 175.796 316.832 175.374 -73.6012 PRESSAVG: 3997200 -19.3066 16.9042 -13.7697 16.9042 26.1905 27.9018 -13.7697 27.9019 -20.7963 GPRESSAVG: 3997200 -22.4141 19.2673 -12.5395 17.4571 27.1891 26.464 -15.2493 28.3737 -18.3503 TIMING: 3997200 CPU: 12486.6, 0.00311413/step Wall: 12486.6, 0.00311413/step, 0.86746 hours remaining, 235.925781 MB of memory in use. ENERGY: 3997200 3954.9830 20520.2618 14478.0309 260.1190 -203401.4661 2798.7057 0.0000 0.0000 52198.6653 -109190.7005 299.9864 -161389.3658 -108822.8335 299.3117 -58.5957 -38.1352 762286.3173 -4.6374 -4.5251 PRESSURE: 3997400 93.2714 107.554 -145.362 107.554 -146.758 -66.2804 -145.361 -66.2809 364.609 GPRESSURE: 3997400 101.868 101.64 -90.9664 141.565 -39.0583 -38.477 -151.09 -90.8172 330.65 PRESSAVG: 3997400 19.3347 42.7561 3.80898 42.7561 -14.5971 10.3407 3.80894 10.3406 25.8908 GPRESSAVG: 3997400 21.3393 42.0351 2.35182 41.5608 -14.9261 11.2067 4.91885 10.5875 24.6543 TIMING: 3997400 CPU: 12487.2, 0.00312564/step Wall: 12487.2, 0.00312563/step, 0.870489 hours remaining, 235.925781 MB of memory in use. ENERGY: 3997400 4013.3697 20587.7810 14434.1032 248.1236 -203117.0378 2726.7155 0.0000 0.0000 52012.8840 -109094.0608 298.9188 -161106.9448 -108721.7856 299.6939 103.7072 131.1533 764004.9015 10.2095 10.3558 PRESSURE: 3997600 -124.653 39.7747 155.977 39.7748 296.465 61.8671 155.978 61.8675 213.02 GPRESSURE: 3997600 -54.3771 -40.9677 186.934 101.604 227.463 51.1817 168.808 -51.0616 285.862 PRESSAVG: 3997600 -29.0883 -13.7794 -3.52821 -13.7793 12.8229 -55.9614 -3.52822 -55.9614 4.06597 GPRESSAVG: 3997600 -29.702 -16.1144 -4.35179 -11.0493 13.0015 -54.8486 -3.33274 -57.4475 5.15368 TIMING: 3997600 CPU: 12487.8, 0.00310691/step Wall: 12487.8, 0.00310691/step, 0.865102 hours remaining, 235.925781 MB of memory in use. ENERGY: 3997600 4044.6601 20452.1855 14513.4756 262.9645 -203343.3614 2763.0112 0.0000 0.0000 52199.7888 -109107.2758 299.9929 -161307.0645 -108740.3589 300.1594 128.2775 152.9827 763542.8135 -4.0665 -3.8489 PRESSURE: 3997800 7.52885 202.132 -206.185 202.131 -121.443 -95.9544 -206.185 -95.9538 -181.529 GPRESSURE: 3997800 58.8751 159.099 -98.7871 206.601 -64.8645 26.0689 -267.067 -189.22 -205.606 PRESSAVG: 3997800 -25.3423 -15.4656 -23.5668 -15.4656 -2.70492 -14.1416 -23.5668 -14.1415 2.67706 GPRESSAVG: 3997800 -24.5488 -14.2338 -22.1954 -17.8664 -2.49599 -13.5056 -23.9762 -12.8145 1.37378 TIMING: 3997800 CPU: 12488.5, 0.00309559/step Wall: 12488.5, 0.00309559/step, 0.861778 hours remaining, 235.925781 MB of memory in use. ENERGY: 3997800 3949.0341 20751.1855 14537.1682 253.9223 -203331.4223 2570.2759 0.0000 0.0000 52279.1804 -108990.6559 300.4492 -161269.8363 -108626.0127 300.0679 -98.4810 -70.5318 764341.9565 -8.4567 -8.5570 PRESSURE: 3998000 -131.425 137.192 188.077 137.193 -126.061 113.449 188.078 113.449 271.948 GPRESSURE: 3998000 -110.359 130.224 156.288 142.363 6.50099 59.2261 60.9474 153.817 222.974 PRESSAVG: 3998000 10.1103 10.9158 -42.4518 10.9158 -21.2064 20.1886 -42.4517 20.1886 -8.97737 GPRESSAVG: 3998000 10.1623 13.0759 -44.996 11.4282 -19.7737 17.7627 -41.5256 19.0093 -9.22403 TIMING: 3998000 CPU: 12489.1, 0.00311948/step Wall: 12489.1, 0.00311948/step, 0.868256 hours remaining, 235.925781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3998000 4049.8889 20474.1331 14503.8193 233.7840 -203264.1286 2820.3904 0.0000 0.0000 52150.1632 -109031.9497 299.7077 -161182.1129 -108668.9704 299.6429 4.8208 39.7055 764184.1340 -6.6911 -6.2785 PRESSURE: 3998200 375.56 -174.529 164.683 -174.528 285.385 184.219 164.683 184.219 504.89 GPRESSURE: 3998200 417.819 -166.767 119.882 -196.021 210.918 231.079 272.387 165.247 614.828 PRESSAVG: 3998200 5.98953 52.023 -44.3106 52.023 14.0772 -15.2801 -44.3106 -15.28 14.4574 GPRESSAVG: 3998200 5.88862 51.3557 -42.2913 51.136 12.5158 -12.43 -42.9769 -14.9071 16.3088 TIMING: 3998200 CPU: 12489.7, 0.00312136/step Wall: 12489.7, 0.00312136/step, 0.868605 hours remaining, 235.925781 MB of memory in use. ENERGY: 3998200 3971.3631 20570.7625 14417.0033 216.2309 -203536.5897 3104.2909 0.0000 0.0000 52254.7500 -109002.1890 300.3088 -161256.9390 -108644.3162 299.8913 388.6118 414.5215 763162.0576 11.5081 11.5711 PRESSURE: 3998400 -244.111 -8.40341 28.5263 -8.40423 -120.958 -79.5081 28.5268 -79.5075 -329.207 GPRESSURE: 3998400 -202.382 -20.5253 -12.4205 -77.6263 -102.406 -27.8208 -128.592 -82.0786 -306.045 PRESSAVG: 3998400 5.15136 10.7485 -53.9072 10.7485 -54.6084 9.00572 -53.9072 9.00576 13.3343 GPRESSAVG: 3998400 4.43932 9.11205 -54.0794 11.1279 -52.2104 7.56689 -56.7902 9.68885 11.79 TIMING: 3998400 CPU: 12490.3, 0.00311705/step Wall: 12490.3, 0.00311705/step, 0.867231 hours remaining, 235.925781 MB of memory in use. ENERGY: 3998400 4017.7439 20407.4161 14480.9904 247.3319 -202503.1840 2345.8514 0.0000 0.0000 51931.7633 -109072.0871 298.4526 -161003.8504 -108716.7365 299.9039 -231.4251 -203.6111 764496.3105 -12.0409 -11.9937 PRESSURE: 3998600 217.84 260.357 131.599 260.357 -267.954 31.1649 131.6 31.1643 -96.9363 GPRESSURE: 3998600 206.094 412.561 152.798 154.496 -169.587 19.7945 139.068 -50.9051 -97.8728 PRESSAVG: 3998600 36.8463 43.8205 -46.7078 43.8204 25.8149 -18.4239 -46.7077 -18.4239 10.6296 GPRESSAVG: 3998600 36.7209 44.629 -47.2142 45.14 24.5799 -18.179 -43.7445 -18.1583 11.4073 TIMING: 3998600 CPU: 12491, 0.00311817/step Wall: 12491, 0.00311817/step, 0.867371 hours remaining, 235.925781 MB of memory in use. ENERGY: 3998600 3969.2035 20600.4518 14520.9927 250.9458 -202974.8738 2499.9797 0.0000 0.0000 52187.1635 -108946.1367 299.9203 -161133.3003 -108582.5113 299.3543 -49.0168 -20.4553 763866.0281 24.4303 24.2360 PRESSURE: 3998800 -216.066 -259.123 -252.127 -259.123 77.5205 176.326 -252.127 176.326 -329.073 GPRESSURE: 3998800 -144.184 -217.863 -244.829 -197.666 50.4949 178.409 -63.8736 67.8645 -302.726 PRESSAVG: 3998800 -20.1621 4.11455 18.1315 4.11463 42.5453 4.14954 18.1315 4.14947 16.9694 GPRESSAVG: 3998800 -19.0479 4.92012 18.9091 4.42595 42.0423 2.46739 17.7691 4.08746 16.5432 TIMING: 3998800 CPU: 12491.6, 0.00311539/step Wall: 12491.6, 0.00311539/step, 0.866425 hours remaining, 235.925781 MB of memory in use. ENERGY: 3998800 4087.2347 20622.9158 14507.2626 253.6192 -203167.0205 2718.7260 0.0000 0.0000 52144.5709 -108832.6913 299.6756 -160977.2621 -108469.7017 300.4199 -155.8728 -132.1381 765369.5177 13.1176 13.1792 PRESSURE: 3999000 -545.189 234.07 59.5032 234.07 204.284 -148.509 59.5022 -148.509 -507.753 GPRESSURE: 3999000 -469.905 97.5379 -15.3648 234.685 175.271 -171.792 153.091 -33.84 -478.483 PRESSAVG: 3999000 -46.2166 38.2667 -46.4268 38.2667 -26.3692 -24.7051 -46.4269 -24.7051 15.9199 GPRESSAVG: 3999000 -47.6755 38.1117 -48.4065 35.5346 -26.7627 -23.9449 -47.0177 -23.8564 17.5182 TIMING: 3999000 CPU: 12492.2, 0.00310455/step Wall: 12492.2, 0.00310455/step, 0.863238 hours remaining, 235.925781 MB of memory in use. ENERGY: 3999000 4010.6756 20433.6816 14533.6273 248.2341 -202745.4416 2459.2227 0.0000 0.0000 52167.7907 -108892.2095 299.8090 -161060.0002 -108528.3424 300.0140 -282.8862 -257.7058 765668.3317 -18.8887 -18.9734 PRESSURE: 3999200 -133.276 -6.16396 -233.611 -6.16563 219.353 -374.606 -233.611 -374.605 -39.285 GPRESSURE: 3999200 -107.135 57.9511 -274.161 9.10664 299.83 -365.526 -355.872 -376.499 -48.3089 PRESSAVG: 3999200 46.06 -9.30361 58.7441 -9.30363 -16.9737 -34.5289 58.7441 -34.5288 -8.74864 GPRESSAVG: 3999200 46.4855 -8.80084 58.7579 -8.06627 -16.5656 -34.0445 56.1703 -36.3366 -9.49342 TIMING: 3999200 CPU: 12492.8, 0.0031005/step Wall: 12492.8, 0.00310051/step, 0.861941 hours remaining, 235.925781 MB of memory in use. ENERGY: 3999200 4036.8202 20619.3739 14450.4455 228.0722 -203352.1903 2711.2005 0.0000 0.0000 52355.3585 -108950.9195 300.8870 -161306.2780 -108597.1112 299.9807 15.5973 48.1287 763224.3642 6.7792 6.8088 PRESSURE: 3999400 21.9861 -154.011 27.2041 -154.012 80.981 147.648 27.2034 147.648 -244.199 GPRESSURE: 3999400 22.8687 75.5346 -47.0328 -109.602 110.972 175.937 7.66979 109.352 -199.002 PRESSAVG: 3999400 18.5344 9.66172 -24.7855 9.66178 -7.0986 -34.2709 -24.7855 -34.2708 -39.4118 GPRESSAVG: 3999400 17.8367 9.85246 -25.2625 10.8569 -6.57192 -34.0273 -22.5751 -33.3664 -39.5712 TIMING: 3999400 CPU: 12493.4, 0.00309115/step Wall: 12493.4, 0.00309115/step, 0.859168 hours remaining, 235.925781 MB of memory in use. ENERGY: 3999400 3967.8108 20545.8125 14476.6506 239.6878 -203532.7512 3031.4314 0.0000 0.0000 52391.3098 -108880.0484 301.0936 -161271.3581 -108511.0364 300.3238 -47.0772 -21.7205 763251.4097 -9.3253 -9.4355 PRESSURE: 3999600 102.514 212.787 86.8663 212.787 -272.988 150.264 86.867 150.262 -440.818 GPRESSURE: 3999600 141.605 168.184 74.6157 100.619 -331.5 157.578 85.9157 154.312 -350.471 PRESSAVG: 3999600 16.8593 -61.7952 62.0878 -61.7953 25.1662 8.60406 62.0878 8.60413 6.04218 GPRESSAVG: 3999600 17.853 -61.8151 63.8887 -61.5965 23.0943 7.75936 61.6524 8.67105 7.03165 TIMING: 3999600 CPU: 12494.1, 0.00311939/step Wall: 12494.1, 0.00311939/step, 0.866843 hours remaining, 235.925781 MB of memory in use. ENERGY: 3999600 4008.1204 20580.2788 14522.9611 244.7862 -203234.6978 2701.8937 0.0000 0.0000 52321.0186 -108855.6390 300.6896 -161176.6577 -108498.2137 300.8407 -203.7639 -180.1219 762479.4364 16.0226 15.9930 PRESSURE: 3999800 109.775 -13.2759 2.81809 -13.2756 322.75 -130.256 2.81758 -130.255 135.646 GPRESSURE: 3999800 141.757 -98.9492 36.8672 -132.887 378.486 -127.988 -64.277 -2.13932 130.371 PRESSAVG: 3999800 13.7704 19.9851 58.4824 19.9851 -8.35242 -1.67871 58.4824 -1.67868 -3.6098 GPRESSAVG: 3999800 13.7872 18.3265 57.7813 19.5243 -8.28489 -1.36068 58.7518 -1.18868 -4.07156 TIMING: 3999800 CPU: 12494.7, 0.00312021/step Wall: 12494.7, 0.00312021/step, 0.866899 hours remaining, 235.925781 MB of memory in use. ENERGY: 3999800 4066.4824 20509.7151 14483.0761 239.6974 -203186.0872 2791.9581 0.0000 0.0000 52193.2352 -108901.9230 299.9552 -161095.1582 -108532.5804 300.1673 189.3905 216.8711 761339.4955 0.6027 0.4769 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 4000000 WRITING COORDINATES TO RESTART FILE AT STEP 4000000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4000000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4000000 -105.71 36.2332 -105.125 36.2335 30.7021 -92.6188 -105.125 -92.6189 312.536 GPRESSURE: 4000000 -50.1849 57.8386 -63.2454 -25.0577 157.272 -23.0613 -85.9705 -135.321 231.094 PRESSAVG: 4000000 24.0724 -48.7917 1.94522 -48.7917 10.6633 -65.503 1.94521 -65.503 -19.948 GPRESSAVG: 4000000 23.5862 -47.3992 1.19725 -49.8742 12.2802 -65.8949 2.44281 -66.5618 -21.2533 TIMING: 4000000 CPU: 12495.3, 0.00323337/step Wall: 12495.3, 0.00323337/step, 0.898157 hours remaining, 236.050781 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: 4000000 3935.2152 20322.4738 14568.7202 261.4981 -202833.9157 2519.7177 0.0000 0.0000 52178.7729 -109047.5177 299.8721 -161226.2906 -108671.5019 299.5989 79.1760 112.7271 762652.7045 4.9292 4.8710 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4000000 PRESSURE: 4000200 193.743 -88.1234 232.282 -88.1239 -56.7921 -112.218 232.282 -112.218 364.138 GPRESSURE: 4000200 281.911 -91.0683 237.099 -11.2951 -79.4695 -55.214 125.759 -59.351 382.163 PRESSAVG: 4000200 19.2175 -14.9046 -38.305 -14.9046 -14.4419 -25.085 -38.305 -25.0849 -7.87548 GPRESSAVG: 4000200 18.4775 -14.1266 -37.2418 -14.497 -14.5916 -23.5792 -41.5792 -25.2661 -7.12461 TIMING: 4000200 CPU: 12496, 0.00314039/step Wall: 12496, 0.00314039/step, 0.872156 hours remaining, 236.050781 MB of memory in use. ENERGY: 4000200 3940.5129 20556.3207 14490.7486 248.1086 -203014.3797 2637.8257 0.0000 0.0000 52275.6624 -108865.2007 300.4290 -161140.8631 -108502.6827 299.3608 167.0294 194.8680 761994.4561 -1.0333 -1.0796 LDB: ============= START OF LOAD BALANCING ============== 12508.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12508.4 LDB: =============== DONE WITH MIGRATION ================ 12508.4 LDB: ============= START OF LOAD BALANCING ============== 12508.8 LDB: Largest compute 7026 load 0.028377 is 14.5% of average load 0.195331 LDB: Average compute 0.004414 is 2.3% of average load 0.195331 LDB: TIME 12508.8 LOAD: AVG 0.195331 MAX 0.218545 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.547 MB LDB: TIME 12508.8 LOAD: AVG 0.195331 MAX 0.218545 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.625 MB LDB: TIME 12508.8 LOAD: AVG 0.195331 MAX 0.218545 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.625 MB LDB: ============== END OF LOAD BALANCING =============== 12508.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12508.8 PRESSURE: 4000400 200.099 -67.6306 -60.0379 -67.6301 212.823 -67.0202 -60.0369 -67.0205 278.054 GPRESSURE: 4000400 152.717 -101.433 -73.8361 -80.0986 319.274 29.1894 65.8565 -58.2421 302.349 PRESSAVG: 4000400 16.2965 -0.3461 -23.6431 -0.346049 -15.7125 -12.9129 -23.6431 -12.9129 15.4506 GPRESSAVG: 4000400 17.321 -2.47926 -23.9799 1.65812 -16.5956 -14.0518 -20.9365 -12.3819 15.0891 TIMING: 4000400 CPU: 12496.6, 0.00320233/step Wall: 12496.6, 0.00320233/step, 0.88918 hours remaining, 234.578125 MB of memory in use. ENERGY: 4000400 3974.0806 20560.4651 14494.9711 225.7718 -203165.8812 2973.1665 0.0000 0.0000 52227.5191 -108709.9070 300.1523 -160937.4261 -108340.6876 300.2829 230.3253 258.1133 763775.6957 5.3449 5.2715 PRESSURE: 4000600 -164.25 4.23317 -47.6986 4.23381 -36.6892 -152.822 -47.6982 -152.823 54.4203 GPRESSURE: 4000600 -128.385 -67.1026 -75.85 38.0663 -64.8004 -109.252 -61.5003 -184.454 117.232 PRESSAVG: 4000600 17.9568 4.42005 -21.0672 4.42011 -15.4281 -32.8719 -21.0673 -32.8719 19.6299 GPRESSAVG: 4000600 17.4468 6.12698 -21.9946 3.82404 -15.7061 -34.3165 -20.7166 -34.2325 20.4134 TIMING: 4000600 CPU: 12497.2, 0.00312357/step Wall: 12497.2, 0.00312357/step, 0.867137 hours remaining, 234.781250 MB of memory in use. ENERGY: 4000600 4034.2105 20685.8110 14531.5346 259.2917 -203258.4692 2960.6751 0.0000 0.0000 52018.5975 -108768.3487 298.9516 -160786.9462 -108403.4784 300.3663 -48.8396 -25.3181 763746.5876 7.3862 7.3847 PRESSURE: 4000800 49.5341 -48.0058 -294.76 -48.0056 211.489 -256.211 -294.76 -256.211 -56.3929 GPRESSURE: 4000800 96.9675 -45.7738 -260.237 5.61588 243.108 -244.195 -219.397 -204.009 -62.8643 PRESSAVG: 4000800 18.3237 48.9899 -34.8748 48.9899 -4.9968 -28.0616 -34.8748 -28.0616 4.66571 GPRESSAVG: 4000800 18.2901 47.793 -34.1701 48.2082 -4.51398 -27.3763 -36.6128 -28.611 4.19191 TIMING: 4000800 CPU: 12497.9, 0.00312534/step Wall: 12497.9, 0.00312535/step, 0.867457 hours remaining, 234.781250 MB of memory in use. ENERGY: 4000800 4007.4034 20580.2362 14522.0027 239.9951 -202905.8165 2569.7734 0.0000 0.0000 52128.8874 -108857.5183 299.5854 -160986.4057 -108492.7152 299.8784 68.2101 92.4038 764321.9425 5.9975 5.9893 PRESSURE: 4001000 44.162 83.0635 20.6296 83.064 178.238 -9.81157 20.63 -9.81127 48.8541 GPRESSURE: 4001000 63.0921 103.792 26.4786 15.7047 231.806 -48.7295 -96.3169 -47.3138 61.4372 PRESSAVG: 4001000 -24.9857 31.2776 -22.1154 31.2775 21.3507 9.76847 -22.1154 9.76844 6.01379 GPRESSAVG: 4001000 -23.2781 32.2251 -23.2456 31.1673 21.9365 8.87509 -21.5353 11.9514 3.89402 TIMING: 4001000 CPU: 12498.5, 0.00312835/step Wall: 12498.5, 0.00312835/step, 0.868118 hours remaining, 234.781250 MB of memory in use. ENERGY: 4001000 3998.0959 20526.0342 14416.4206 241.0926 -202977.9451 2717.8678 0.0000 0.0000 52183.3211 -108895.1129 299.8983 -161078.4340 -108522.5153 299.9016 90.4182 118.7784 766251.5999 0.7929 0.8508 PRESSURE: 4001200 -288.642 51.7637 -19.2714 51.7631 -126.729 -30.9534 -19.2713 -30.9535 -355.672 GPRESSURE: 4001200 -267.304 121.694 -48.8093 104.62 -121.221 -36.2395 17.3192 -72.7875 -303.294 PRESSAVG: 4001200 7.4473 53.9068 38.552 53.9068 -27.464 8.92575 38.552 8.92582 -1.24893 GPRESSAVG: 4001200 6.40287 52.9397 39.5768 54.3956 -28.5677 11.3025 38.9531 9.72774 1.40121 TIMING: 4001200 CPU: 12499.1, 0.00312715/step Wall: 12499.1, 0.00312715/step, 0.867609 hours remaining, 234.781250 MB of memory in use. ENERGY: 4001200 4059.5202 20597.6400 14462.4992 249.2880 -203056.9992 2761.5268 0.0000 0.0000 52151.2160 -108775.3091 299.7138 -160926.5250 -108403.9325 299.6522 -257.0147 -230.6063 765559.6403 -7.0886 -6.9212 PRESSURE: 4001400 -202.574 146.058 114.256 146.058 -219.991 29.0108 114.256 29.01 -345.005 GPRESSURE: 4001400 -269.281 207.126 180.428 117.108 -88.7836 38.4233 141.929 97.8418 -315.625 PRESSAVG: 4001400 -12.6099 -0.70986 26.4072 -0.709829 -17.5753 -6.72086 26.4071 -6.72077 -8.24107 GPRESSAVG: 4001400 -13.9881 1.52885 27.6945 -0.998794 -16.2101 -5.87439 26.2971 -9.16863 -7.74042 TIMING: 4001400 CPU: 12499.7, 0.0031211/step Wall: 12499.7, 0.0031211/step, 0.865758 hours remaining, 234.781250 MB of memory in use. ENERGY: 4001400 4022.1228 20537.9609 14521.0056 271.8805 -202798.6281 2362.0206 0.0000 0.0000 52291.5257 -108792.1120 300.5201 -161083.6377 -108424.9533 300.0405 -255.8569 -224.5634 764528.2820 -12.8087 -12.6462 PRESSURE: 4001600 -225.257 -72.5293 -225.399 -72.5293 83.4058 52.7649 -225.398 52.7655 -445.543 GPRESSURE: 4001600 -172.348 -22.845 -280.333 -64.6175 83.7489 24.405 -79.2141 58.2987 -405.419 PRESSAVG: 4001600 8.1486 6.3907 -5.1544 6.39073 -1.37919 17.4936 -5.15441 17.4936 31.576 GPRESSAVG: 4001600 8.84139 7.25535 -5.31856 6.75315 -1.47675 14.9737 -6.64439 17.1303 30.1832 TIMING: 4001600 CPU: 12500.4, 0.00311512/step Wall: 12500.4, 0.00311512/step, 0.863927 hours remaining, 234.781250 MB of memory in use. ENERGY: 4001600 4000.0203 20659.5324 14305.4899 240.0412 -202922.0995 2551.3789 0.0000 0.0000 52030.4273 -109135.2094 299.0196 -161165.6367 -108770.7400 299.4159 -195.7982 -164.6729 764883.8292 12.7818 12.5160 PRESSURE: 4001800 -373.618 -42.7029 103.758 -42.7029 -52.9581 -104.071 103.759 -104.07 65.3415 GPRESSURE: 4001800 -367.703 -57.8825 35.9744 6.56893 5.43023 -152.06 105.585 -120.262 72.1449 PRESSAVG: 4001800 39.5888 -13.6512 12.2081 -13.6512 -17.9674 -32.9406 12.208 -32.9406 -2.20663 GPRESSAVG: 4001800 40.0677 -16.7618 10.9642 -11.5934 -17.9224 -34.4335 14.2069 -32.2836 -3.60187 TIMING: 4001800 CPU: 12501, 0.00312245/step Wall: 12501, 0.00312245/step, 0.865786 hours remaining, 234.781250 MB of memory in use. ENERGY: 4001800 4003.8685 20583.6855 14474.7968 235.1664 -202950.0417 2405.5593 0.0000 0.0000 52258.6922 -108988.2730 300.3314 -161246.9652 -108628.6747 299.2227 -120.4114 -96.7094 763665.0095 6.4716 6.1812 PRESSURE: 4002000 -343.66 -121.581 -45.3466 -121.581 -229.514 -439.013 -45.3465 -439.013 -299.167 GPRESSURE: 4002000 -384.144 -101.939 -122.311 -145.384 -153.118 -305.334 -2.02494 -374.035 -241.605 PRESSAVG: 4002000 48.7741 -40.8177 61.7863 -40.8177 -31.2663 -12.3113 61.7864 -12.3113 -5.65868 GPRESSAVG: 4002000 48.0065 -37.5486 61.9005 -42.6134 -31.2786 -10.8 61.7606 -12.0145 -4.63598 TIMING: 4002000 CPU: 12501.6, 0.00313225/step Wall: 12501.6, 0.00313225/step, 0.868328 hours remaining, 234.781250 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: 4002000 4057.3875 20604.7273 14411.6214 260.5713 -203129.9594 2509.1733 0.0000 0.0000 52104.6677 -109181.8109 299.4462 -161286.4786 -108811.0691 299.7058 -290.7803 -259.6225 762040.8141 3.9497 4.0306 PRESSURE: 4002200 -79.5354 179.534 168.857 179.534 -153.839 95.5432 168.856 95.5432 -464.417 GPRESSURE: 4002200 -35.5731 152.044 177.41 157.295 -67.2457 112.199 221.422 112.357 -499.737 PRESSAVG: 4002200 37.7699 20.1574 33.4749 20.1574 -17.7584 -3.02272 33.4749 -3.02275 -11.3939 GPRESSAVG: 4002200 37.033 17.5916 33.7324 18.5421 -17.511 -3.16165 32.3522 -3.01799 -10.2982 TIMING: 4002200 CPU: 12502.2, 0.00311886/step Wall: 12502.2, 0.00311886/step, 0.864444 hours remaining, 234.781250 MB of memory in use. ENERGY: 4002200 4052.6336 20565.2728 14536.5945 232.1376 -203654.1114 3173.9910 0.0000 0.0000 51915.7696 -109177.7123 298.3606 -161093.4819 -108817.7171 299.4739 -232.5973 -200.8519 762901.8364 2.8726 3.0746 PRESSURE: 4002400 198.447 -166.791 101.651 -166.79 -120.48 65.9509 101.65 65.9517 -75.9106 GPRESSURE: 4002400 166.906 -88.2013 115.645 -111.706 -81.2183 79.6146 95.3373 95.6336 7.77992 PRESSAVG: 4002400 29.2848 -10.2252 41.0187 -10.2252 -41.8047 -6.35422 41.0187 -6.35418 -1.03922 GPRESSAVG: 4002400 31.0442 -6.543 40.5685 -10.1084 -42.9456 -6.12273 42.31 -6.0927 -1.40324 TIMING: 4002400 CPU: 12502.9, 0.00312683/step Wall: 12502.9, 0.00312683/step, 0.866478 hours remaining, 234.781250 MB of memory in use. ENERGY: 4002400 4035.8254 20575.6219 14529.5502 241.9108 -203721.9191 3057.3986 0.0000 0.0000 52108.0095 -109173.6028 299.4654 -161281.6123 -108827.9683 299.2517 0.6856 31.1558 763385.8237 -4.5197 -4.4349 PRESSURE: 4002600 86.6761 -47.4727 -187.674 -47.4733 -92.0036 -61.3227 -187.675 -61.3229 32.3882 GPRESSURE: 4002600 150.161 -50.2718 -113.105 9.30765 -80.4503 -11.8272 -15.6592 21.2978 44.9079 PRESSAVG: 4002600 32.935 -55.8146 -35.9172 -55.8146 -14.0379 -3.46396 -35.9172 -3.46389 -12.1345 GPRESSAVG: 4002600 31.5137 -58.2284 -35.0402 -54.1433 -12.603 -3.57664 -36.9049 -4.10189 -12.2151 TIMING: 4002600 CPU: 12503.5, 0.00311265/step Wall: 12503.5, 0.00311265/step, 0.862377 hours remaining, 234.781250 MB of memory in use. ENERGY: 4002600 4047.1901 20449.2204 14484.7957 242.2948 -203373.8008 2822.0590 0.0000 0.0000 52133.8840 -109194.3568 299.6141 -161328.2408 -108833.4553 299.2553 9.0202 38.2062 763174.6259 2.2542 2.2319 PRESSURE: 4002800 -141.44 -32.4686 22.1507 -32.4689 -41.1287 -21.7063 22.1502 -21.7068 240.944 GPRESSURE: 4002800 -124.024 -30.9202 -53.9517 -39.7603 -1.8657 -85.5992 -57.665 24.9871 257.382 PRESSAVG: 4002800 -6.2908 42.2021 -9.3187 42.2021 -22.604 -1.91516 -9.31872 -1.91515 23.6309 GPRESSAVG: 4002800 -4.50232 44.4243 -10.4604 41.7185 -24.4073 -1.71001 -8.29706 -1.11543 23.0718 TIMING: 4002800 CPU: 12504.1, 0.00313996/step Wall: 12504.1, 0.00313996/step, 0.869768 hours remaining, 234.781250 MB of memory in use. ENERGY: 4002800 3995.8833 20575.8200 14578.3077 251.2311 -203273.3483 2676.3922 0.0000 0.0000 51999.4630 -109196.2511 298.8416 -161195.7141 -108834.5103 299.0923 19.4584 43.8309 763586.3067 -1.7546 -1.9460 PRESSURE: 4003000 41.6666 165.604 181.774 165.604 -331.657 24.2704 181.774 24.2702 -41.4689 GPRESSURE: 4003000 62.1073 212.881 178.252 154.021 -314.973 18.667 129.165 24.7173 8.67569 PRESSAVG: 4003000 34.9022 5.90628 -6.24161 5.90623 -5.58844 -33.8626 -6.24167 -33.8625 12.3004 GPRESSAVG: 4003000 33.2638 3.05398 -6.14839 4.74176 -2.63876 -33.3682 -7.38151 -35.2005 11.4197 TIMING: 4003000 CPU: 12504.7, 0.0031312/step Wall: 12504.7, 0.0031312/step, 0.867169 hours remaining, 234.781250 MB of memory in use. ENERGY: 4003000 3957.4381 20426.5457 14469.0310 240.6626 -202792.7492 2463.8342 0.0000 0.0000 51887.7136 -109347.5239 298.1994 -161235.2375 -108979.7739 299.2819 -110.4865 -81.3967 762397.1785 13.8714 14.0149 PRESSURE: 4003200 -59.2578 252.862 -129.944 252.862 115.299 -89.4547 -129.944 -89.4551 -16.9251 GPRESSURE: 4003200 -0.382119 173.046 -84.731 198.556 129.433 -109.144 -119.267 -88.9029 -5.37688 PRESSAVG: 4003200 -35.8018 -15.415 -19.0441 -15.415 -18.136 -16.783 -19.0441 -16.7831 -9.80235 GPRESSAVG: 4003200 -36.2377 -16.1738 -19.2219 -13.6105 -19.1347 -19.5976 -18.1491 -14.2522 -7.71968 TIMING: 4003200 CPU: 12505.4, 0.00312481/step Wall: 12505.4, 0.00312481/step, 0.865226 hours remaining, 234.781250 MB of memory in use. ENERGY: 4003200 3989.0912 20450.4929 14404.1700 259.1075 -202836.7853 2383.0549 0.0000 0.0000 51758.6606 -109592.2082 297.4577 -161350.8688 -109239.2145 298.3513 13.0386 41.2248 764220.2790 -21.2467 -21.0307 PRESSURE: 4003400 28.3037 86.4624 -163.604 86.4629 105.309 -146.631 -163.604 -146.63 -46.6407 GPRESSURE: 4003400 24.9715 -89.6498 -178.857 84.145 79.3181 -170.775 -156.703 -33.9811 73.4639 PRESSAVG: 4003400 29.7616 8.15885 21.7324 8.1589 5.20405 27.5537 21.7324 27.5536 2.53743 GPRESSAVG: 4003400 31.9558 10.8691 21.5027 5.65584 4.72885 28.4166 22.1337 26.6114 0.823874 TIMING: 4003400 CPU: 12506, 0.00311047/step Wall: 12506, 0.00311047/step, 0.861081 hours remaining, 234.781250 MB of memory in use. ENERGY: 4003400 3921.2845 20479.8261 14546.8781 239.6729 -203416.8254 2795.4577 0.0000 0.0000 52105.9906 -109327.7155 299.4538 -161433.7061 -108962.6036 298.6253 28.9906 59.2512 761801.6838 12.5010 12.5028 PRESSURE: 4003600 281.611 -131.585 -184.029 -131.585 316.393 129.819 -184.029 129.817 -187.675 GPRESSURE: 4003600 284.672 -187.88 -86.0652 -64.948 303.24 242.175 -151.471 38.8162 -107.113 PRESSAVG: 4003600 58.0359 29.5916 4.19474 29.5916 -37.381 23.0582 4.19481 23.0582 -2.85983 GPRESSAVG: 4003600 57.6547 27.6746 5.3097 32.7796 -37.6785 23.6081 5.85701 21.6142 -1.77556 TIMING: 4003600 CPU: 12506.6, 0.00313159/step Wall: 12506.6, 0.00313159/step, 0.866755 hours remaining, 234.781250 MB of memory in use. ENERGY: 4003600 4032.8681 20578.0813 14471.4895 232.7622 -203492.8156 2984.5061 0.0000 0.0000 51891.2935 -109301.8148 298.2200 -161193.1084 -108937.2838 299.0086 136.7762 160.2663 761294.1211 5.9317 6.0669 PRESSURE: 4003800 -86.4567 73.7913 -312.306 73.7917 25.914 -16.3752 -312.305 -16.3759 299.963 GPRESSURE: 4003800 -10.6643 95.4278 -319.986 151.438 82.3434 -101.711 -321.562 -10.4845 265.339 PRESSAVG: 4003800 29.2909 2.62528 -23.9764 2.62527 -19.5079 -7.00289 -23.9765 -7.0029 8.33837 GPRESSAVG: 4003800 28.5396 3.07048 -23.9322 1.61708 -18.0711 -6.74568 -23.9705 -6.27888 7.83383 TIMING: 4003800 CPU: 12507.2, 0.00312077/step Wall: 12507.2, 0.00312077/step, 0.863586 hours remaining, 234.781250 MB of memory in use. ENERGY: 4003800 3991.0727 20555.9651 14462.9459 236.2303 -202953.7206 2439.2258 0.0000 0.0000 52096.4967 -109171.7840 299.3993 -161268.2807 -108810.4502 298.7493 79.8067 112.3394 761765.1550 6.0404 6.1008 PRESSURE: 4004000 -334.477 -188.428 36.674 -188.428 -544.08 41.692 36.6735 41.6916 79.0219 GPRESSURE: 4004000 -262.733 -43.558 82.563 -115.108 -544.57 96.0763 39.6765 22.0994 92.1386 PRESSAVG: 4004000 25.1666 5.1569 -43.2355 5.157 -9.90634 15.274 -43.2355 15.2741 16.9988 GPRESSAVG: 4004000 25.4234 6.62642 -43.0398 4.20781 -11.0923 15.7558 -43.5317 13.7853 17.7393 TIMING: 4004000 CPU: 12507.8, 0.0031181/step Wall: 12507.8, 0.0031181/step, 0.862675 hours remaining, 234.781250 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: 4004000 3957.1331 20453.4787 14356.1194 240.7671 -202695.0454 2382.9971 0.0000 0.0000 52134.6908 -109169.8592 299.6188 -161304.5500 -108810.3095 298.9942 -266.5116 -238.3879 762497.5432 10.7530 10.6901 PRESSURE: 4004200 12.1406 67.9719 -223.488 67.9718 -2.98041 203.179 -223.488 203.178 -433.067 GPRESSURE: 4004200 -5.74968 93.0066 -215.626 -63.6265 87.5912 166.051 -205.166 115.375 -435.55 PRESSAVG: 4004200 7.10325 14.1674 -1.73321 14.1674 -50.2748 -9.52127 -1.73322 -9.52129 14.0067 GPRESSAVG: 4004200 7.13413 14.8514 -2.95796 14.9553 -50.5448 -11.1554 -3.28055 -7.90133 14.3928 TIMING: 4004200 CPU: 12508.5, 0.00313346/step Wall: 12508.5, 0.00313346/step, 0.86675 hours remaining, 234.781250 MB of memory in use. ENERGY: 4004200 3919.9012 20416.1988 14489.2887 267.4577 -203204.3213 2869.1713 0.0000 0.0000 52181.2552 -109061.0483 299.8864 -161242.3036 -108694.0030 299.1705 -141.3024 -117.9029 764110.0090 -9.7216 -9.6726 LDB: ============= START OF LOAD BALANCING ============== 12521 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12521 LDB: =============== DONE WITH MIGRATION ================ 12521 LDB: ============= START OF LOAD BALANCING ============== 12521.3 LDB: Largest compute 7047 load 0.027668 is 14.2% of average load 0.195326 LDB: Average compute 0.004418 is 2.3% of average load 0.195326 LDB: TIME 12521.3 LOAD: AVG 0.195326 MAX 0.212942 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.262 MB LDB: TIME 12521.3 LOAD: AVG 0.195326 MAX 0.212942 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.465 MB LDB: TIME 12521.3 LOAD: AVG 0.195326 MAX 0.212942 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.465 MB LDB: ============== END OF LOAD BALANCING =============== 12521.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12521.3 PRESSURE: 4004400 138.891 29.6432 -140.71 29.6433 1.74813 5.60378 -140.711 5.60325 364.646 GPRESSURE: 4004400 232.556 40.8076 -37.2161 86.9856 -27.8844 3.51437 -158.201 28.1008 415.606 PRESSAVG: 4004400 19.5333 19.6979 -47.7343 19.6978 -49.2814 5.16455 -47.7343 5.16461 6.33246 GPRESSAVG: 4004400 18.1748 16.723 -46.2192 20.6108 -48.7985 4.40329 -47.8758 7.43711 7.05452 TIMING: 4004400 CPU: 12509.1, 0.0032029/step Wall: 12509.1, 0.0032029/step, 0.88578 hours remaining, 234.320312 MB of memory in use. ENERGY: 4004400 3937.9016 20533.6768 14435.7757 246.1110 -203120.3315 2811.2496 0.0000 0.0000 52076.2712 -109079.3455 299.2830 -161155.6167 -108719.0760 299.5359 168.4285 206.7590 763907.0290 -7.8052 -7.8564 PRESSURE: 4004600 -267.916 -62.5462 -88.1649 -62.5459 -20.0293 -124.283 -88.1646 -124.281 365.074 GPRESSURE: 4004600 -135.363 73.5226 -136.631 -135.284 -20.5112 -69.0332 -72.139 -55.5563 324.666 PRESSAVG: 4004600 -11.7916 -7.89092 -6.67019 -7.8909 4.75474 -0.526044 -6.67024 -0.526085 18.243 GPRESSAVG: 4004600 -9.5333 -4.72128 -7.01123 -9.00063 3.40797 2.22265 -3.42634 -1.64555 17.454 TIMING: 4004600 CPU: 12509.7, 0.00313607/step Wall: 12509.7, 0.00313607/step, 0.867122 hours remaining, 234.449219 MB of memory in use. ENERGY: 4004600 4010.6844 20456.7620 14469.6416 245.8723 -203593.3505 3216.2350 0.0000 0.0000 52178.1882 -109015.9669 299.8688 -161194.1552 -108660.9540 299.2530 25.7095 56.2639 762212.2074 3.7354 3.7762 PRESSURE: 4004800 -187.993 -127.41 375.62 -127.41 -142.453 69.3653 375.619 69.3651 -161.59 GPRESSURE: 4004800 -137.541 -219.31 363.647 -169.064 -86.1891 102.775 130.099 31.8899 -192.729 PRESSAVG: 4004800 -20.7433 -8.24253 -73.7178 -8.24259 29.6894 -19.6108 -73.7178 -19.6109 -2.40837 GPRESSAVG: 4004800 -22.1862 -10.15 -72.4274 -8.3946 30.259 -18.7065 -78.5188 -21.1385 -1.76644 TIMING: 4004800 CPU: 12510.4, 0.00311943/step Wall: 12510.4, 0.00311943/step, 0.862348 hours remaining, 234.664062 MB of memory in use. ENERGY: 4004800 3966.6770 20646.1600 14509.4368 239.9830 -202545.6975 2320.8736 0.0000 0.0000 51932.7464 -108929.8207 298.4582 -160862.5671 -108576.2604 299.2337 -164.0118 -138.8199 764882.5377 2.1793 2.1021 PRESSURE: 4005000 -73.7233 -200.964 33.3904 -200.963 119.771 -25.2218 33.3898 -25.2218 -267.438 GPRESSURE: 4005000 -84.1145 -131.941 110.058 -100.347 142.297 -42.3308 67.254 78.9153 -199.16 PRESSAVG: 4005000 -33.3708 -33.1645 -80.9434 -33.1645 -10.4642 37.9912 -80.9434 37.9911 -8.12953 GPRESSAVG: 4005000 -34.3846 -33.2223 -81.6016 -31.8053 -9.47709 37.7017 -80.5571 37.3241 -8.45879 TIMING: 4005000 CPU: 12511, 0.00311179/step Wall: 12511, 0.00311179/step, 0.860064 hours remaining, 234.664062 MB of memory in use. ENERGY: 4005000 3953.0153 20578.2857 14523.5925 271.7817 -202731.2237 2358.5900 0.0000 0.0000 52176.5360 -108869.4225 299.8593 -161045.9585 -108512.9118 299.2542 -73.7969 -46.9925 762360.8573 -17.3215 -17.4402 PRESSURE: 4005200 -127.959 -186.498 -260.068 -186.499 -306.333 -8.07787 -260.068 -8.0775 -55.9333 GPRESSURE: 4005200 21.0928 -226.375 -240.048 -169.885 -339.416 -35.8786 -250.697 -82.0307 -95.806 PRESSAVG: 4005200 -42.2761 -21.1459 -54.7809 -21.146 13.3551 -32.1082 -54.7809 -32.1082 -21.593 GPRESSAVG: 4005200 -39.8924 -18.7401 -55.7768 -21.8354 12.2447 -33.6177 -52.637 -32.5867 -23.0821 TIMING: 4005200 CPU: 12511.6, 0.00312413/step Wall: 12511.6, 0.00312413/step, 0.8633 hours remaining, 234.664062 MB of memory in use. ENERGY: 4005200 4072.8319 20581.7824 14506.2526 255.3879 -203162.4096 2714.0462 0.0000 0.0000 52193.1108 -108838.9979 299.9545 -161032.1087 -108482.2352 300.2300 -163.4086 -138.0431 761779.7432 -16.8380 -16.9099 PRESSURE: 4005400 124.01 143.794 90.1472 143.794 -103.132 129.19 90.1468 129.192 -16.4839 GPRESSURE: 4005400 174.427 144.967 47.0123 128.408 -23.1826 195.928 11.4811 8.44904 -45.5588 PRESSAVG: 4005400 -1.5384 -29.7783 -43.6081 -29.7784 19.1917 3.39576 -43.6081 3.39579 15.837 GPRESSAVG: 4005400 -2.09825 -31.2547 -44.28 -30.1487 19.3364 2.91667 -43.8468 6.45279 16.4031 TIMING: 4005400 CPU: 12512.2, 0.00312885/step Wall: 12512.2, 0.00312885/step, 0.864432 hours remaining, 234.664062 MB of memory in use. ENERGY: 4005400 4085.1845 20471.7693 14572.1284 253.2501 -202936.0787 2683.3572 0.0000 0.0000 51840.5293 -109029.8599 297.9282 -160870.3892 -108667.7121 299.9292 1.4645 35.2286 763152.1388 11.1634 11.2137 PRESSURE: 4005600 104.704 46.9858 -195.806 46.9862 346.95 223.449 -195.806 223.448 151.34 GPRESSURE: 4005600 154.285 58.6786 -163.079 13.1868 340.423 97.7584 -82.2383 203.818 192.066 PRESSAVG: 4005600 -38.5595 14.9033 -37.9617 14.9033 -9.5378 -25.3988 -37.9617 -25.3988 6.06963 GPRESSAVG: 4005600 -38.4359 15.9472 -36.547 14.6021 -10.1782 -25.2137 -39.0418 -27.0157 6.5277 TIMING: 4005600 CPU: 12512.9, 0.00310245/step Wall: 12512.9, 0.00310245/step, 0.856967 hours remaining, 234.664062 MB of memory in use. ENERGY: 4005600 3944.9412 20429.9932 14507.5985 231.0811 -203285.9744 3010.3758 0.0000 0.0000 52061.0751 -109100.9095 299.1957 -161161.9846 -108746.1827 299.3948 200.9983 228.9243 764203.3776 -14.0092 -14.0288 PRESSURE: 4005800 -17.7336 -150.039 -56.8332 -150.039 -51.3159 132.581 -56.8332 132.58 -51.3092 GPRESSURE: 4005800 5.66893 -251.625 -57.0045 -110.53 5.07337 220.81 -32.2653 9.80676 -46.7445 PRESSAVG: 4005800 18.5605 -16.7848 -69.7946 -16.7847 15.746 1.36794 -69.7946 1.36801 -25.9665 GPRESSAVG: 4005800 17.598 -18.8244 -69.1045 -15.0318 15.7557 2.24081 -70.3176 -1.03549 -25.5311 TIMING: 4005800 CPU: 12513.5, 0.00310574/step Wall: 12513.5, 0.00310574/step, 0.857703 hours remaining, 234.664062 MB of memory in use. ENERGY: 4005800 3947.6440 20705.2757 14505.9184 241.2744 -203190.2797 2797.1417 0.0000 0.0000 51911.2831 -109081.7424 298.3349 -160993.0255 -108719.3879 299.8464 -40.1196 -12.0007 764203.4537 2.7800 2.6075 PRESSURE: 4006000 48.298 -32.3083 -128.416 -32.3075 136.004 -84.1055 -128.417 -84.1036 -62.8127 GPRESSURE: 4006000 -42.093 -11.7476 -60.3347 -111.838 277.689 -192.558 -194.783 136.733 -10.7505 PRESSAVG: 4006000 -43.9009 -118.113 -4.48744 -118.113 9.43163 29.6872 -4.48743 29.6871 8.79425 GPRESSAVG: 4006000 -43.4572 -117.428 -4.32475 -119.831 10.7939 27.9189 -3.6856 32.0444 7.26736 TIMING: 4006000 CPU: 12514.1, 0.00314091/step Wall: 12514.1, 0.00314091/step, 0.867241 hours remaining, 234.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4006000 3980.8506 20475.4980 14489.4675 232.3242 -203312.7759 2806.9715 0.0000 0.0000 52063.4378 -109264.2263 299.2093 -161327.6641 -108899.3460 299.3608 40.4966 74.9484 763478.9616 -8.5583 -8.4653 PRESSURE: 4006200 -114.44 -15.8481 -187.029 -15.8479 68.4514 148.999 -187.029 148.998 66.9448 GPRESSURE: 4006200 4.47511 21.8494 -242.922 -40.0478 104.46 173.004 -162.227 309.621 0.127575 PRESSAVG: 4006200 6.86759 -33.5861 -80.0813 -33.5861 24.0963 16.5386 -80.0813 16.5386 0.789164 GPRESSAVG: 4006200 7.20171 -33.6768 -81.6308 -31.675 24.278 17.4882 -77.6374 16.6808 0.0105543 TIMING: 4006200 CPU: 12514.7, 0.00311686/step Wall: 12514.7, 0.00311686/step, 0.860426 hours remaining, 234.664062 MB of memory in use. ENERGY: 4006200 3919.8551 20602.9300 14481.3495 245.9672 -203198.4846 2700.7397 0.0000 0.0000 52198.6726 -109048.9706 299.9865 -161247.6432 -108691.1732 299.3982 6.9854 36.3541 762077.7829 10.5844 10.4968 PRESSURE: 4006400 -11.3193 8.19781 234.324 8.19775 -277.598 322.008 234.325 322.006 11.6208 GPRESSURE: 4006400 -36.8573 20.7348 344.108 -102.472 -230.611 279.848 230.253 239.526 49.5145 PRESSAVG: 4006400 15.589 -36.0067 -111.98 -36.0068 -23.2551 21.8533 -111.98 21.8533 29.6524 GPRESSAVG: 4006400 15.2255 -35.6002 -110.308 -36.5668 -23.9629 22.6689 -114.693 20.5672 31.0836 TIMING: 4006400 CPU: 12515.4, 0.00310621/step Wall: 12515.4, 0.00310622/step, 0.857316 hours remaining, 234.664062 MB of memory in use. ENERGY: 4006400 3997.8917 20772.0546 14480.5060 245.0033 -203155.9212 2702.7232 0.0000 0.0000 51774.7737 -109182.9687 297.5503 -160957.7424 -108819.9903 299.6989 -92.4320 -72.6513 761752.5781 7.3288 7.4487 PRESSURE: 4006600 202.976 -34.3966 -70.4579 -34.3972 150.243 238.64 -70.4581 238.64 -232.464 GPRESSURE: 4006600 191.976 18.8594 -119.421 77.7543 181.911 210.343 8.5842 205.269 -172.561 PRESSAVG: 4006600 43.7131 -27.2807 -46.6345 -27.2807 -21.9131 61.4439 -46.6344 61.444 -6.05201 GPRESSAVG: 4006600 44.3221 -25.8924 -46.4395 -27.3498 -22.4809 61.0717 -46.2425 61.1777 -6.74087 TIMING: 4006600 CPU: 12516, 0.00312216/step Wall: 12516, 0.00312216/step, 0.861542 hours remaining, 234.664062 MB of memory in use. ENERGY: 4006600 3964.7729 20514.5896 14525.1146 228.3993 -203163.2723 2564.4636 0.0000 0.0000 52077.2876 -109288.6447 299.2889 -161365.9323 -108918.3555 299.3108 40.2519 67.1087 762547.6855 5.2493 5.0334 PRESSURE: 4006800 -57.4371 51.598 90.2481 51.5994 21.595 -121.04 90.2492 -121.038 60.6801 GPRESSURE: 4006800 -74.3161 23.4458 2.31073 31.3947 152.233 -47.6343 96.7268 -45.2484 31.7869 PRESSAVG: 4006800 -55.2687 -29.671 -22.3065 -29.671 -11.0095 88.9602 -22.3065 88.9602 -7.20251 GPRESSAVG: 4006800 -55.185 -31.5367 -22.3428 -30.826 -12.1827 89.271 -23.1259 89.3556 -6.33128 TIMING: 4006800 CPU: 12516.6, 0.00312778/step Wall: 12516.6, 0.00312778/step, 0.862919 hours remaining, 234.664062 MB of memory in use. ENERGY: 4006800 4040.5551 20398.9874 14416.9539 242.0160 -203270.3530 2893.3288 0.0000 0.0000 51982.7845 -109295.7273 298.7458 -161278.5118 -108937.2788 298.9291 8.2793 36.5678 763756.2611 -24.4936 -24.5663 PRESSURE: 4007000 -273.553 -256.633 -120.6 -256.633 -164.125 227.122 -120.6 227.123 -54.184 GPRESSURE: 4007000 -315.767 -268.513 -164.109 -241.378 11.1903 270.913 -41.8024 162.476 -100.259 PRESSAVG: 4007000 -47.7163 -8.30821 -6.58004 -8.30816 46.7806 -17.0435 -6.57999 -17.0434 -6.9501 GPRESSAVG: 4007000 -47.4071 -7.93528 -9.15566 -6.32573 48.2694 -18.4055 -5.02137 -14.7624 -8.84729 TIMING: 4007000 CPU: 12517.2, 0.00311356/step Wall: 12517.2, 0.00311356/step, 0.858824 hours remaining, 234.664062 MB of memory in use. ENERGY: 4007000 4031.4599 20510.0172 14531.7187 232.8213 -202888.2766 2464.5245 0.0000 0.0000 51764.4267 -109353.3083 297.4909 -161117.7350 -108996.2908 298.6552 -163.9542 -134.9455 763405.5730 -2.6286 -2.6617 PRESSURE: 4007200 110.386 77.6434 -110.118 77.644 -428.511 80.9604 -110.117 80.96 -158.831 GPRESSURE: 4007200 133.716 78.2777 -149.219 25.2344 -347.089 168.195 -10.9872 -63.8137 -174.057 PRESSAVG: 4007200 -2.94089 41.1023 -35.4207 41.1023 50.8858 83.0643 -35.4207 83.0643 -2.13462 GPRESSAVG: 4007200 -3.07892 40.8876 -33.7533 39.4553 50.2661 83.8728 -36.8921 79.9764 -1.61782 TIMING: 4007200 CPU: 12517.9, 0.00312971/step Wall: 12517.9, 0.00312971/step, 0.863104 hours remaining, 234.664062 MB of memory in use. ENERGY: 4007200 4010.2422 20306.0187 14508.1302 263.2426 -203173.3409 2655.5847 0.0000 0.0000 52136.6900 -109293.4325 299.6303 -161430.1225 -108931.4423 298.5254 -158.9854 -129.1433 762996.5177 15.2701 15.1898 PRESSURE: 4007400 -323.967 -1.19599 -70.4764 -1.19629 -275.401 87.0652 -70.4769 87.0639 214.977 GPRESSURE: 4007400 -361.399 31.3273 -95.555 -41.3091 -128.617 151.069 -106.742 37.361 169.55 PRESSAVG: 4007400 3.08768 -35.3912 -46.6261 -35.3912 -4.49236 7.77181 -46.6261 7.77174 -0.41034 GPRESSAVG: 4007400 3.69274 -35.7058 -46.0701 -34.3643 -4.53304 7.72984 -44.1495 9.37627 -1.23952 TIMING: 4007400 CPU: 12518.5, 0.00310977/step Wall: 12518.5, 0.00310977/step, 0.857432 hours remaining, 234.664062 MB of memory in use. ENERGY: 4007400 3977.1439 20538.1349 14529.1092 238.0824 -202940.7904 2490.1924 0.0000 0.0000 52064.2904 -109103.8373 299.2142 -161168.1277 -108741.9834 299.1165 -128.1304 -106.8219 764117.6859 -0.6050 -0.6933 PRESSURE: 4007600 -351.455 -190.657 -138.073 -190.658 -105.664 113.955 -138.073 113.956 26.0833 GPRESSURE: 4007600 -328.107 -135.111 -103.4 -159.055 -70.4615 48.2378 -80.4797 -54.2484 61.8773 PRESSAVG: 4007600 -51.4259 -26.6363 -50.6589 -26.6362 48.2328 10.2481 -50.6588 10.2481 19.6842 GPRESSAVG: 4007600 -53.5243 -26.2526 -51.5474 -27.4775 47.9692 8.81356 -50.8904 10.0976 21.8597 TIMING: 4007600 CPU: 12519.1, 0.00310263/step Wall: 12519.1, 0.00310263/step, 0.855291 hours remaining, 234.664062 MB of memory in use. ENERGY: 4007600 4054.4481 20410.2002 14554.1044 253.1407 -202822.0825 2387.4110 0.0000 0.0000 51961.7844 -109200.9937 298.6251 -161162.7781 -108843.7605 299.2353 -143.6787 -112.2305 761314.1789 5.4970 5.4349 PRESSURE: 4007800 -251.109 -302.413 -331.57 -302.413 78.5173 103.536 -331.57 103.534 182.117 GPRESSURE: 4007800 -253.753 -423.196 -346.459 -230.252 121.283 76.8113 -390.019 27.9251 210.002 PRESSAVG: 4007800 -78.7056 -16.1917 -43.5619 -16.1917 68.67 3.95008 -43.562 3.95006 7.5227 GPRESSAVG: 4007800 -78.575 -15.1073 -42.9824 -16.7121 68.9953 2.80544 -44.7183 4.70647 6.6258 TIMING: 4007800 CPU: 12519.7, 0.00311375/step Wall: 12519.7, 0.00311375/step, 0.858185 hours remaining, 234.664062 MB of memory in use. ENERGY: 4007800 3951.5130 20447.0479 14398.0718 256.3643 -202680.1787 2458.2369 0.0000 0.0000 52037.2495 -109131.6953 299.0588 -161168.9448 -108779.5328 299.2826 3.1751 25.8440 761474.4145 -0.8376 -0.9846 PRESSURE: 4008000 97.5831 -285.562 -226.987 -285.563 64.249 -114.7 -226.987 -114.701 -410.825 GPRESSURE: 4008000 62.0832 -232.658 -179.677 -311.764 113.926 -55.1123 -270.341 51.4135 -348.366 PRESSAVG: 4008000 7.24347 -83.6406 -26.3366 -83.6406 34.7228 46.7189 -26.3365 46.719 20.2829 GPRESSAVG: 4008000 7.49268 -85.1011 -25.3299 -83.4238 34.5357 49.2939 -28.0582 45.5937 20.2627 TIMING: 4008000 CPU: 12520.3, 0.00313546/step Wall: 12520.3, 0.00313546/step, 0.863995 hours remaining, 234.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4008000 4001.6914 20500.4769 14481.1193 224.4965 -202818.2346 2465.4541 0.0000 0.0000 52263.9350 -108881.0614 300.3616 -161144.9963 -108527.4872 299.6070 -82.9975 -57.4522 761445.5020 20.7497 20.7637 PRESSURE: 4008200 -106.933 97.7652 44.4153 97.765 77.5584 -74.7685 44.4156 -74.7683 -157.39 GPRESSURE: 4008200 17.5231 12.1816 -19.6915 139.016 54.6344 -111.448 119.126 -33.7855 -173.755 PRESSAVG: 4008200 6.11157 -50.9125 -34.7983 -50.9125 -5.65567 -22.4017 -34.7982 -22.4018 -0.513485 GPRESSAVG: 4008200 7.85754 -50.9862 -36.2153 -49.6313 -7.04864 -23.9867 -34.3195 -22.4813 -0.41659 TIMING: 4008200 CPU: 12521, 0.00311835/step Wall: 12521, 0.00311835/step, 0.859105 hours remaining, 234.664062 MB of memory in use. ENERGY: 4008200 3920.3835 20570.3983 14483.6151 239.5422 -202874.0419 2665.8273 0.0000 0.0000 52240.6798 -108753.5958 300.2279 -160994.2756 -108403.0887 300.5105 -62.2547 -33.8659 761734.5565 -0.0192 0.1308 LDB: ============= START OF LOAD BALANCING ============== 12533.4 LDB: ============== END OF LOAD BALANCING =============== 12533.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12533.4 LDB: ============= START OF LOAD BALANCING ============== 12533.8 LDB: Largest compute 6998 load 0.029713 is 15.2% of average load 0.195277 LDB: Average compute 0.004429 is 2.3% of average load 0.195277 LDB: TIME 12533.8 LOAD: AVG 0.195277 MAX 0.214445 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.75 MB LDB: TIME 12533.8 LOAD: AVG 0.195277 MAX 0.214445 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.957 MB LDB: TIME 12533.8 LOAD: AVG 0.195277 MAX 0.214445 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.957 MB LDB: ============== END OF LOAD BALANCING =============== 12533.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12533.8 PRESSURE: 4008400 -114.697 -113.604 78.811 -113.605 99.3693 131.216 78.8112 131.216 92.0606 GPRESSURE: 4008400 -148.236 -59.7301 -14.9175 -72.5925 147.84 155.303 109.534 186.248 129.616 PRESSAVG: 4008400 34.7668 -38.3349 5.91335 -38.3348 20.1673 -5.72104 5.91326 -5.72103 -14.2666 GPRESSAVG: 4008400 34.3568 -35.5059 5.67683 -39.4234 21.0217 -4.52832 7.26169 -4.76186 -15.2277 TIMING: 4008400 CPU: 12521.6, 0.00316661/step Wall: 12521.6, 0.00316661/step, 0.872225 hours remaining, 234.710938 MB of memory in use. ENERGY: 4008400 3931.4786 20685.8460 14501.1716 243.8871 -202748.6399 2397.5660 0.0000 0.0000 52108.6249 -108880.0656 299.4690 -160988.6905 -108525.5605 299.7540 25.5776 43.0732 762662.7892 13.5558 13.3836 PRESSURE: 4008600 45.2646 -1.13298 155.182 -1.13237 316.608 24.5432 155.182 24.5424 -167.115 GPRESSURE: 4008600 127.137 -126.465 127.453 70.1772 355.449 -51.4206 43.0679 66.3918 -204.925 PRESSAVG: 4008600 25.4315 8.06573 25.0027 8.06577 27.485 68.5874 25.0026 68.5874 6.85018 GPRESSAVG: 4008600 25.7644 6.15538 24.0453 7.38661 27.2937 67.5697 25.4587 70.3768 7.17283 TIMING: 4008600 CPU: 12522.2, 0.00311424/step Wall: 12522.2, 0.00311424/step, 0.857627 hours remaining, 234.847656 MB of memory in use. ENERGY: 4008600 4000.2157 20453.6061 14462.7361 242.6377 -202763.5890 2447.6085 0.0000 0.0000 51976.7103 -109180.0745 298.7109 -161156.7848 -108821.4128 299.5190 64.9192 92.5535 762333.0516 19.9222 20.0770 PRESSURE: 4008800 1.58966 -241.007 201.119 -241.007 -123.479 124.731 201.119 124.73 -284.402 GPRESSURE: 4008800 24.0973 -144.471 194.088 -248.04 -86.6687 66.3004 262.808 49.5056 -250.548 PRESSAVG: 4008800 26.7409 -20.001 79.7243 -20.0011 -2.55461 -16.7448 79.7243 -16.7448 -12.9058 GPRESSAVG: 4008800 26.462 -19.1914 81.2407 -19.1138 -2.46882 -18.0533 78.9936 -17.7263 -12.829 TIMING: 4008800 CPU: 12522.8, 0.00309775/step Wall: 12522.8, 0.00309775/step, 0.852915 hours remaining, 234.847656 MB of memory in use. ENERGY: 4008800 4018.0334 20616.9675 14521.8785 256.8962 -203095.8035 2625.2888 0.0000 0.0000 52076.6303 -108980.1087 299.2851 -161056.7391 -108624.7000 299.2771 -135.4306 -104.3732 762876.1012 3.7601 3.7214 PRESSURE: 4009000 154.607 -162.872 177.363 -162.871 -67.7692 42.5305 177.363 42.5295 173.313 GPRESSURE: 4009000 136.668 -188.272 192.659 -83.923 -14.718 65.5564 13.8055 9.91321 219.304 PRESSAVG: 4009000 -29.5268 -38.8996 -0.851461 -38.8997 21.021 -23.8438 -0.851443 -23.8437 -2.71677 GPRESSAVG: 4009000 -30.935 -39.2854 -2.02196 -40.731 20.5796 -22.8281 -1.77257 -24.2652 -1.11018 TIMING: 4009000 CPU: 12523.5, 0.00310214/step Wall: 12523.5, 0.00310214/step, 0.853951 hours remaining, 234.847656 MB of memory in use. ENERGY: 4009000 3869.2911 20514.2751 14443.8953 221.1792 -203160.7053 2817.6729 0.0000 0.0000 52212.8359 -109081.5557 300.0679 -161294.3915 -108721.4729 299.0778 86.7169 113.7513 763620.2380 -3.7409 -3.8219 PRESSURE: 4009200 -91.2406 75.2106 -114.341 75.211 -348.036 -79.4582 -114.341 -79.4584 -372.079 GPRESSURE: 4009200 -51.4257 154.23 -107.301 27.6843 -304.002 -131.637 -121.054 -93.1152 -386.232 PRESSAVG: 4009200 42.389 12.9573 8.98844 12.9573 -33.0278 16.4238 8.98842 16.4238 16.2555 GPRESSAVG: 4009200 42.1701 10.9709 10.8242 14.7191 -33.0848 16.6618 9.22181 16.0927 15.3064 TIMING: 4009200 CPU: 12524.1, 0.00309772/step Wall: 12524.1, 0.00309772/step, 0.852562 hours remaining, 234.847656 MB of memory in use. ENERGY: 4009200 3987.7483 20395.5366 14485.0314 260.2798 -202687.1669 2293.4216 0.0000 0.0000 51945.6984 -109319.4507 298.5326 -161265.1492 -108949.5222 299.5359 -270.4520 -247.2199 762295.3272 8.5389 8.1306 PRESSURE: 4009400 298.445 -59.2913 -80.0044 -59.2907 12.1116 -139.308 -80.0051 -139.308 -107.006 GPRESSURE: 4009400 280.369 -118.302 -8.71713 -14.4472 71.1229 -103.062 -147.318 -144.018 -59.1094 PRESSAVG: 4009400 83.027 3.35378 25.0964 3.3538 -58.0488 9.1004 25.0964 9.10039 10.2682 GPRESSAVG: 4009400 83.3867 1.61476 25.152 3.43042 -57.8965 9.35772 25.5668 8.79855 9.56629 TIMING: 4009400 CPU: 12524.7, 0.00310389/step Wall: 12524.7, 0.00310389/step, 0.854086 hours remaining, 234.847656 MB of memory in use. ENERGY: 4009400 3884.9289 20490.4193 14534.8874 236.3354 -203112.9846 2657.8833 0.0000 0.0000 51883.5917 -109424.9386 298.1757 -161308.5303 -109069.2925 298.9859 67.8501 97.4609 762811.5823 11.7488 11.6855 PRESSURE: 4009600 -169.964 187.266 -0.323165 187.266 -315.538 39.6488 -0.323336 39.6474 -9.99383 GPRESSURE: 4009600 -22.5004 125.8 14.6046 148.901 -380.21 28.5435 56.2398 31.8219 1.52605 PRESSAVG: 4009600 56.1238 -6.65401 10.3857 -6.65404 -50.763 3.17682 10.3857 3.17682 -16.7724 GPRESSAVG: 4009600 56.8352 -4.79411 10.1099 -7.25849 -51.931 3.11671 11.1714 3.04024 -16.3721 TIMING: 4009600 CPU: 12525.3, 0.00310383/step Wall: 12525.3, 0.00310383/step, 0.853898 hours remaining, 234.847656 MB of memory in use. ENERGY: 4009600 3912.7596 20434.7460 14452.0701 248.5677 -202920.9325 2212.1575 0.0000 0.0000 52125.4118 -109535.2198 299.5655 -161660.6316 -109179.8596 298.7297 -165.1652 -133.7281 763372.8418 -3.8038 -3.8226 PRESSURE: 4009800 -27.7441 -28.1153 -18.933 -28.1148 -120.605 72.3671 -18.933 72.368 97.5998 GPRESSURE: 4009800 43.8993 53.1557 -106.643 -16.052 -82.9947 70.9498 -71.0737 11.0562 57.5809 PRESSAVG: 4009800 34.0142 -26.1404 4.77401 -26.1403 -2.69337 -17.5703 4.77393 -17.5703 12.4812 GPRESSAVG: 4009800 34.2125 -25.5818 3.14339 -26.0093 -1.68796 -17.8288 6.3476 -16.9827 11.236 TIMING: 4009800 CPU: 12525.9, 0.00309843/step Wall: 12525.9, 0.00309843/step, 0.852241 hours remaining, 234.847656 MB of memory in use. ENERGY: 4009800 3922.2868 20366.3657 14444.2917 242.8430 -203182.0624 2688.8538 0.0000 0.0000 52097.8996 -109419.5219 299.4073 -161517.4215 -109061.9239 298.6803 -16.9163 6.1618 763089.5484 14.6007 14.5868 PRESSURE: 4010000 409.329 -256.487 -254.837 -256.487 13.2403 168.904 -254.837 168.905 59.3625 GPRESSURE: 4010000 361.44 -190.861 -238.746 -215.267 142.56 178.892 -238.211 66.2517 56.3922 PRESSAVG: 4010000 44.8224 -5.43055 -2.40167 -5.43062 -23.1854 -9.64721 -2.40162 -9.64723 2.18376 GPRESSAVG: 4010000 42.6559 -5.232 -0.730247 -6.80456 -22.0738 -10.8157 -5.12107 -10.5302 3.20607 TIMING: 4010000 CPU: 12526.6, 0.00308738/step Wall: 12526.6, 0.00308738/step, 0.84903 hours remaining, 234.847656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4010000 3985.3685 20465.0818 14534.8643 260.3412 -203182.3256 2610.5694 0.0000 0.0000 52008.5456 -109317.5547 298.8938 -161326.1004 -108952.8548 299.3513 160.6439 186.7975 763375.3995 7.9403 7.9294 PRESSURE: 4010200 -139.877 141.478 1.25001 141.478 -575.622 50.0922 1.25078 50.0931 176.607 GPRESSURE: 4010200 -103.889 1.66027 -9.12169 65.702 -488.757 8.65385 28.2238 20.0467 108.22 PRESSAVG: 4010200 0.416589 -24.55 -33.5364 -24.55 2.46862 -20.1639 -33.5365 -20.1639 -0.492168 GPRESSAVG: 4010200 2.42222 -24.6325 -34.2779 -23.4899 0.469088 -19.8109 -30.7478 -17.8901 -1.18596 TIMING: 4010200 CPU: 12527.2, 0.00308758/step Wall: 12527.2, 0.00308758/step, 0.848913 hours remaining, 234.847656 MB of memory in use. ENERGY: 4010200 3970.4824 20386.1929 14442.8063 245.0783 -203310.5587 2744.1187 0.0000 0.0000 52220.3255 -109301.5546 300.1109 -161521.8801 -108929.5941 299.2829 -179.6306 -161.4752 763782.6032 0.7977 0.5685 PRESSURE: 4010400 -518.112 118.104 148.091 118.104 -43.2526 162.004 148.091 162.005 -6.82455 GPRESSURE: 4010400 -531.784 85.6341 41.8731 92.5718 109.398 237.72 206.869 126.151 -67.7492 PRESSAVG: 4010400 -1.24805 -11.0229 -23.1841 -11.0228 10.7233 11.7547 -23.1841 11.7547 18.7903 GPRESSAVG: 4010400 -0.462681 -11.0966 -23.0704 -10.2476 10.9265 12.3552 -26.4066 9.07514 18.2576 TIMING: 4010400 CPU: 12527.8, 0.0030965/step Wall: 12527.8, 0.0030965/step, 0.851194 hours remaining, 234.847656 MB of memory in use. ENERGY: 4010400 3984.6709 20362.3354 14523.1821 249.1350 -203448.9441 3045.9475 0.0000 0.0000 52136.6051 -109147.0681 299.6298 -161283.6732 -108795.0059 299.8616 -189.3965 -163.3784 763747.2585 9.4219 9.5738 PRESSURE: 4010600 -161.389 -64.3831 11.5015 -64.3833 -111.396 10.9121 11.5017 10.912 296.954 GPRESSURE: 4010600 -94.2324 9.57623 -12.8699 -82.8328 -156.81 -33.0095 59.1181 14.3198 356.735 PRESSAVG: 4010600 -11.5411 -13.1036 22.0937 -13.1037 6.9332 16.8228 22.0937 16.8228 11.5054 GPRESSAVG: 4010600 -13.3884 -13.7311 21.5985 -13.7997 6.54294 17.2716 25.2212 18.3082 13.0404 TIMING: 4010600 CPU: 12528.4, 0.0031007/step Wall: 12528.4, 0.0031007/step, 0.852176 hours remaining, 234.847656 MB of memory in use. ENERGY: 4010600 3949.4712 20670.2286 14476.6127 256.6093 -203199.5942 2705.5418 0.0000 0.0000 52048.9173 -109092.2133 299.1258 -161141.1306 -108741.9801 299.7822 8.0563 35.2307 763359.4218 2.2992 2.0650 PRESSURE: 4010800 153.677 262.212 331.043 262.212 -62.3055 83.1316 331.041 83.1315 47.2047 GPRESSURE: 4010800 131.551 184.68 371.295 207.451 80.0169 73.6688 306.187 135.3 25.7165 PRESSAVG: 4010800 22.6758 29.5942 15.1002 29.5942 -41.1263 -4.09048 15.1002 -4.09046 -19.6901 GPRESSAVG: 4010800 23.3025 29.1651 16.0528 29.048 -41.0286 -4.51533 15.0139 -5.66803 -20.2262 TIMING: 4010800 CPU: 12529, 0.00310594/step Wall: 12529, 0.00310594/step, 0.853443 hours remaining, 234.847656 MB of memory in use. ENERGY: 4010800 3995.5507 20331.0167 14484.5450 248.5084 -203324.4917 2811.3928 0.0000 0.0000 52258.0280 -109195.4501 300.3276 -161453.4780 -108835.8105 299.6700 46.1921 79.0948 764860.3348 -12.7135 -12.6508 PRESSURE: 4011000 141.302 128.488 63.1781 128.489 81.4232 -90.5471 63.1779 -90.5476 -258.536 GPRESSURE: 4011000 169.323 281.205 184.651 210.951 118.141 -57.7856 83.0841 -123.072 -242.12 PRESSAVG: 4011000 -8.43281 34.2842 38.8354 34.2843 14.0999 0.13213 38.8353 0.132138 6.34871 GPRESSAVG: 4011000 -10.0258 37.1589 39.1091 33.061 14.6504 -1.05009 36.8221 2.82531 7.12235 TIMING: 4011000 CPU: 12529.7, 0.00309796/step Wall: 12529.7, 0.00309796/step, 0.851079 hours remaining, 234.847656 MB of memory in use. ENERGY: 4011000 3913.5581 20485.5082 14510.9861 245.7423 -203230.0497 2694.9889 0.0000 0.0000 52088.5116 -109290.7544 299.3534 -161379.2660 -108925.5586 299.4910 -11.9367 15.1145 764755.7148 4.0053 3.9156 PRESSURE: 4011200 -304.286 -68.031 213.008 -68.0319 56.3525 -16.9598 213.008 -16.9596 -107.617 GPRESSURE: 4011200 -252.46 88.0351 229.963 -104.979 45.1541 -12.686 120.711 -9.9768 -58.6983 PRESSAVG: 4011200 30.6787 4.25428 80.3864 4.25432 34.6954 -51.2449 80.3863 -51.2449 9.36075 GPRESSAVG: 4011200 32.205 2.71387 81.9287 5.01243 33.5193 -51.3158 79.2628 -52.6656 9.35756 TIMING: 4011200 CPU: 12530.3, 0.0031039/step Wall: 12530.3, 0.0031039/step, 0.852539 hours remaining, 234.847656 MB of memory in use. ENERGY: 4011200 4021.8320 20487.1748 14502.5559 251.6343 -203298.5901 2564.7506 0.0000 0.0000 52132.6665 -109337.9759 299.6072 -161470.6425 -108971.7480 299.0071 -118.5168 -88.6680 762804.2433 24.9116 25.0273 PRESSURE: 4011400 -330.243 -249.477 -70.4901 -249.478 -9.47067 18.7047 -70.4895 18.7049 -480.516 GPRESSURE: 4011400 -271.525 -220.766 -35.6152 -309.233 66.2011 27.276 -160.086 -76.2209 -533.848 PRESSAVG: 4011400 -15.1653 1.44317 5.85509 1.44323 29.8692 -15.5958 5.85509 -15.5959 13.2764 GPRESSAVG: 4011400 -15.6934 2.1855 3.78511 1.4201 30.8782 -15.8202 6.85226 -15.6892 12.856 TIMING: 4011400 CPU: 12530.9, 0.00310265/step Wall: 12530.9, 0.00310265/step, 0.852023 hours remaining, 234.847656 MB of memory in use. ENERGY: 4011400 4046.6138 20421.6169 14481.3133 251.4247 -203408.0653 2709.5484 0.0000 0.0000 52101.6466 -109395.9017 299.4289 -161497.5483 -109032.6517 299.4066 -273.4100 -246.3907 762457.0898 9.3267 9.3470 PRESSURE: 4011600 -13.3872 -217.253 94.7674 -217.252 -121.669 -274.318 94.7674 -274.318 -430.012 GPRESSURE: 4011600 18.9667 -217.807 37.603 -222.055 -82.0397 -358.061 155.616 -102.774 -425.698 PRESSAVG: 4011600 22.5005 -22.8724 -25.6645 -22.8725 -48.1347 -6.48222 -25.6645 -6.48221 24.6303 GPRESSAVG: 4011600 23.3536 -24.3527 -26.2484 -22.0822 -47.2603 -6.04445 -24.2052 -5.64781 23.2464 TIMING: 4011600 CPU: 12531.5, 0.00311326/step Wall: 12531.5, 0.00311326/step, 0.854763 hours remaining, 234.847656 MB of memory in use. ENERGY: 4011600 3998.4138 20577.0839 14442.3698 241.6409 -203511.0862 2951.0323 0.0000 0.0000 51854.3719 -109446.1736 298.0078 -161300.5455 -109091.4185 298.8770 -188.3558 -162.9238 764098.5621 -0.3346 -0.2201 PRESSURE: 4011800 199.108 36.6465 -74.7388 36.6461 10.927 -166.556 -74.7384 -166.556 17.2242 GPRESSURE: 4011800 267.746 96.5743 -88.5254 102.716 3.77491 -68.4032 -48.5398 -183.274 43.039 PRESSAVG: 4011800 -19.6977 -18.4077 -20.3497 -18.4077 0.859601 34.9191 -20.3498 34.9191 -2.07314 GPRESSAVG: 4011800 -20.5804 -18.3801 -18.8537 -17.6416 -0.484268 35.1557 -19.1438 33.7136 -0.0728792 TIMING: 4011800 CPU: 12532.1, 0.00308578/step Wall: 12532.1, 0.00308578/step, 0.847046 hours remaining, 234.847656 MB of memory in use. ENERGY: 4011800 4032.1253 20384.2633 14503.7299 259.2870 -203772.2431 3146.0834 0.0000 0.0000 51747.2672 -109699.4871 297.3923 -161446.7543 -109349.5142 298.3844 75.7529 104.8532 762801.2931 -6.9704 -7.0458 PRESSURE: 4012000 -106.626 -4.30577 -100.352 -4.30563 146.841 128.471 -100.352 128.47 -437.116 GPRESSURE: 4012000 17.1244 -69.4967 -144.782 -155.299 3.22722 217.384 -134.579 66.2193 -326.842 PRESSAVG: 4012000 58.0733 34.2827 28.4359 34.2826 -73.8514 45.0582 28.4358 45.0582 15.5434 GPRESSAVG: 4012000 57.7899 34.1214 28.3438 32.5688 -73.44 44.4319 25.6032 45.1938 16.245 TIMING: 4012000 CPU: 12532.8, 0.00310685/step Wall: 12532.8, 0.00310685/step, 0.852658 hours remaining, 234.847656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4012000 3947.6120 20399.0696 14456.6752 254.1013 -203477.5108 2812.9370 0.0000 0.0000 51775.8998 -109831.2160 297.5568 -161607.1158 -109464.6982 298.1106 -132.3003 -102.1636 763216.5236 -0.0782 0.1983 PRESSURE: 4012200 117.687 24.1408 -29.521 24.1399 88.1127 43.6861 -29.5209 43.6839 125.564 GPRESSURE: 4012200 178.931 93.3103 -26.6436 96.7921 146.71 89.1093 18.4999 152.891 100.748 PRESSAVG: 4012200 -2.72421 5.14771 -3.87045 5.14765 -38.6524 6.61104 -3.8705 6.61106 3.54762 GPRESSAVG: 4012200 -1.89288 7.45257 -4.87573 4.60038 -37.7797 6.68529 -1.76575 7.48824 1.51622 TIMING: 4012200 CPU: 12533.4, 0.00310876/step Wall: 12533.4, 0.00310876/step, 0.853009 hours remaining, 234.847656 MB of memory in use. ENERGY: 4012200 3951.4393 20522.1676 14472.7675 253.3369 -203860.3903 3020.8125 0.0000 0.0000 51880.3951 -109759.4716 298.1573 -161639.8666 -109405.8402 298.1136 110.4547 142.1297 760778.9415 -12.6097 -12.7188 LDB: ============= START OF LOAD BALANCING ============== 12545.9 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12545.9 LDB: =============== DONE WITH MIGRATION ================ 12545.9 LDB: ============= START OF LOAD BALANCING ============== 12546.2 LDB: Largest compute 7048 load 0.030015 is 15.4% of average load 0.195228 LDB: Average compute 0.004402 is 2.3% of average load 0.195228 LDB: TIME 12546.2 LOAD: AVG 0.195228 MAX 0.215457 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.773 MB LDB: TIME 12546.2 LOAD: AVG 0.195228 MAX 0.215457 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.977 MB LDB: TIME 12546.2 LOAD: AVG 0.195228 MAX 0.215457 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.977 MB LDB: ============== END OF LOAD BALANCING =============== 12546.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12546.2 PRESSURE: 4012400 39.1765 -89.6612 -5.15051 -89.6616 -47.5448 60.7758 -5.15135 60.7759 76.1218 GPRESSURE: 4012400 71.304 -139.849 47.2474 -65.2365 28.0132 26.448 51.7762 -27.9208 47.7326 PRESSAVG: 4012400 -37.2465 -18.8487 -20.6076 -18.8487 20.3089 74.9799 -20.6076 74.9799 15.5108 GPRESSAVG: 4012400 -37.5632 -20.2865 -20.5752 -18.4913 20.4158 75.9843 -21.3476 73.6421 15.6555 TIMING: 4012400 CPU: 12534, 0.00318209/step Wall: 12534, 0.00318209/step, 0.872952 hours remaining, 234.511719 MB of memory in use. ENERGY: 4012400 3934.3963 20604.7264 14449.7424 262.0354 -203296.6253 2631.4812 0.0000 0.0000 51724.1934 -109690.0502 297.2597 -161414.2436 -109338.2120 298.4169 22.5845 49.0166 760527.6200 -0.4756 -0.4973 PRESSURE: 4012600 -314.425 -88.4814 -115.626 -88.4808 -277.865 -12.6542 -115.626 -12.6546 -66.9312 GPRESSURE: 4012600 -351.995 -105.086 -192.771 -152.24 -271.116 -6.65725 -104.12 -11.9496 37.7147 PRESSAVG: 4012600 -10.3623 -41.1863 30.5904 -41.1863 -3.07773 30.9699 30.5904 30.9699 -5.46325 GPRESSAVG: 4012600 -10.0955 -42.1834 30.087 -40.1514 -5.08035 30.5882 29.7352 32.1987 -3.81163 TIMING: 4012600 CPU: 12534.6, 0.00310687/step Wall: 12534.6, 0.00310687/step, 0.852145 hours remaining, 234.648438 MB of memory in use. ENERGY: 4012600 3958.1659 20611.8289 14412.9085 256.5166 -203081.9393 2509.4875 0.0000 0.0000 51896.9563 -109436.0757 298.2525 -161333.0320 -109075.8267 298.6009 -219.7405 -195.1323 762619.3263 -6.3011 -6.3292 PRESSURE: 4012800 -151.336 -245.759 211.489 -245.759 118.04 60.5146 211.489 60.5148 68.5941 GPRESSURE: 4012800 -109.917 -247.838 88.5892 -264.198 124.12 3.38225 324.085 92.4006 96.5342 PRESSAVG: 4012800 9.4465 -46.9344 4.96392 -46.9344 2.43767 22.6964 4.96394 22.6964 -7.69392 GPRESSAVG: 4012800 8.20662 -44.2901 6.25515 -49.4165 3.83809 22.8824 5.64299 21.1279 -7.96832 TIMING: 4012800 CPU: 12535.3, 0.00310348/step Wall: 12535.3, 0.00310348/step, 0.851042 hours remaining, 234.648438 MB of memory in use. ENERGY: 4012800 4040.6856 20474.7273 14511.7175 235.6319 -203254.1989 2613.6179 0.0000 0.0000 52018.6250 -109359.1937 298.9518 -161377.8187 -108991.8920 298.7436 11.7660 36.9123 762154.6445 1.3967 1.3588 PRESSURE: 4013000 67.2739 -1.35928 -11.8263 -1.35981 182.366 -57.4199 -11.8253 -57.4202 94.9183 GPRESSURE: 4013000 101.983 9.20667 28.8253 47.8237 155.593 -149.854 -133.521 20.5157 135.099 PRESSAVG: 4013000 25.698 -11.8993 36.1589 -11.8992 -13.7113 0.575934 36.1589 0.575919 11.4004 GPRESSAVG: 4013000 26.3558 -14.6044 36.5075 -8.27535 -13.8978 -1.21207 36.7027 2.35367 11.1939 TIMING: 4013000 CPU: 12535.9, 0.00309375/step Wall: 12535.9, 0.00309375/step, 0.848202 hours remaining, 234.636719 MB of memory in use. ENERGY: 4013000 3930.0270 20612.2329 14466.5482 256.1835 -203484.0557 2759.1910 0.0000 0.0000 52081.1811 -109378.6920 299.3113 -161459.8731 -109021.9841 298.8746 114.8529 130.8920 762284.1963 7.7957 7.8840 PRESSURE: 4013200 -5.90921 19.627 220.936 19.6268 289.096 133.293 220.935 133.292 -669.615 GPRESSURE: 4013200 -9.25959 27.2038 253.91 45.3808 303.897 93.4253 118.719 -12.1749 -593.872 PRESSAVG: 4013200 -32.3719 -34.6453 0.211341 -34.6453 25.3895 12.069 0.211289 12.069 0.00249155 GPRESSAVG: 4013200 -33.0295 -34.3815 -1.29435 -35.7648 25.3788 14.0549 -1.72857 11.0745 0.468731 TIMING: 4013200 CPU: 12536.5, 0.00311601/step Wall: 12536.5, 0.00311601/step, 0.854134 hours remaining, 234.648438 MB of memory in use. ENERGY: 4013200 4047.6915 20446.7188 14405.9628 241.0710 -203285.5897 2839.8704 0.0000 0.0000 51932.1363 -109372.1389 298.4547 -161304.2752 -109010.5744 298.5186 -128.8097 -99.7451 762650.1805 -2.3266 -2.3940 PRESSURE: 4013400 -121.654 55.1043 -57.1423 55.1035 76.0147 282.316 -57.1435 282.317 -317.087 GPRESSURE: 4013400 -57.765 63.2191 -29.9598 160.272 76.5627 214.416 -12.2768 371.87 -277.499 PRESSAVG: 4013400 41.4906 2.37196 -76.4162 2.37202 -4.17972 25.9525 -76.4161 25.9525 -4.49248 GPRESSAVG: 4013400 42.9073 0.732225 -73.5307 2.23358 -4.55602 26.2829 -75.2873 26.2025 -5.56559 TIMING: 4013400 CPU: 12537.1, 0.00313056/step Wall: 12537.1, 0.00313056/step, 0.857947 hours remaining, 234.648438 MB of memory in use. ENERGY: 4013400 4014.5042 20508.1575 14473.1509 241.1213 -203024.9850 2505.2057 0.0000 0.0000 52033.6745 -109249.1709 299.0382 -161282.8455 -108886.1279 299.3246 -120.9089 -86.2337 762131.5739 10.9395 10.9286 PRESSURE: 4013600 223.308 -185.341 212.39 -185.34 -244.336 -75.5501 212.389 -75.5495 -94.1959 GPRESSURE: 4013600 159.112 -129.787 154.123 -249.918 -172.808 -58.6866 152.451 -148.023 -29.7711 PRESSAVG: 4013600 33.7409 23.1351 11.6463 23.135 -88.842 22.6676 11.6463 22.6677 5.59707 GPRESSAVG: 4013600 32.7623 24.9091 10.0252 21.2484 -86.7544 21.4083 14.5801 21.9143 5.42851 TIMING: 4013600 CPU: 12537.8, 0.00311734/step Wall: 12537.8, 0.00311734/step, 0.854153 hours remaining, 234.648438 MB of memory in use. ENERGY: 4013600 3970.3525 20494.5337 14412.2925 239.4480 -202864.7959 2292.7645 0.0000 0.0000 52057.3536 -109398.0511 299.1743 -161455.4047 -109034.2329 299.3639 -38.4078 -14.4888 763180.2420 -16.5013 -16.1879 PRESSURE: 4013800 -335.046 124.082 111.777 124.082 -354.307 171.438 111.778 171.438 -305.322 GPRESSURE: 4013800 -244.02 136.965 153.214 38.3635 -328.324 129.61 18.8584 81.4835 -340.836 PRESSAVG: 4013800 -7.90213 -14.8258 -24.8946 -14.8257 0.186334 -3.41438 -24.8946 -3.41433 5.02902 GPRESSAVG: 4013800 -6.98968 -12.8142 -24.906 -14.8193 -1.54528 -3.29717 -28.4896 -3.71582 5.10098 TIMING: 4013800 CPU: 12538.4, 0.00311823/step Wall: 12538.4, 0.00311823/step, 0.854223 hours remaining, 234.648438 MB of memory in use. ENERGY: 4013800 4024.6871 20555.7648 14444.4361 233.8569 -203032.4835 2502.3750 0.0000 0.0000 52092.1843 -109179.1792 299.3745 -161271.3635 -108825.1475 299.2570 -331.5583 -304.3936 764161.3304 -0.8956 -1.1447 PRESSURE: 4014000 230.493 -94.7331 -10.912 -94.7334 279.995 -239.891 -10.9111 -239.89 60.6644 GPRESSURE: 4014000 313.074 -151.814 -83.654 -102.628 289.861 -247.145 -95.4786 -246.293 51.0312 PRESSAVG: 4014000 -10.7784 -11.392 -32.025 -11.392 26.1289 -26.3143 -32.025 -26.3144 -6.55756 GPRESSAVG: 4014000 -12.5193 -14.2687 -31.8185 -9.37721 27.4792 -27.3708 -34.6929 -24.0158 -6.22329 TIMING: 4014000 CPU: 12539, 0.00310063/step Wall: 12539, 0.00310063/step, 0.849228 hours remaining, 234.648438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4014000 3986.9926 20439.6087 14500.1030 256.3471 -203420.9613 2704.2783 0.0000 0.0000 52273.6951 -109259.9366 300.4176 -161533.6317 -108891.3900 299.5089 190.3839 217.9886 762126.6748 2.9310 2.9122 PRESSURE: 4014200 11.0261 247.296 280.756 247.296 -121.56 -62.9628 280.757 -62.9621 -195.047 GPRESSURE: 4014200 94.489 135.889 242.851 182.492 -117.099 -109.316 312.544 48.9589 -201.605 PRESSAVG: 4014200 15.1326 -37.4346 -25.6624 -37.4346 20.0326 -18.4083 -25.6624 -18.4082 7.30847 GPRESSAVG: 4014200 15.541 -37.396 -26.6062 -39.6078 19.5806 -16.9123 -23.5936 -20.3823 7.62928 TIMING: 4014200 CPU: 12539.6, 0.00311562/step Wall: 12539.6, 0.00311562/step, 0.853161 hours remaining, 234.648438 MB of memory in use. ENERGY: 4014200 4019.4991 20532.6944 14397.5260 227.8423 -203256.7707 2647.8515 0.0000 0.0000 52206.1955 -109225.1619 300.0297 -161431.3574 -108863.3320 299.4055 -101.8604 -74.7382 763673.3344 14.1579 14.2503 PRESSURE: 4014400 -110.101 -287.529 -119.925 -287.528 152.449 24.0288 -119.925 24.0287 117.313 GPRESSURE: 4014400 -54.2046 -240.723 -81.7276 -214.769 193.186 -82.1145 -137.221 -27.0454 114.346 PRESSAVG: 4014400 14.8925 -34.4549 -19.1998 -34.4548 -47.9297 -25.8793 -19.1998 -25.8794 8.33552 GPRESSAVG: 4014400 15.4847 -35.0998 -20.6804 -32.9008 -48.7049 -25.5819 -17.2197 -25.1031 8.29975 TIMING: 4014400 CPU: 12540.2, 0.0031095/step Wall: 12540.2, 0.0031095/step, 0.851312 hours remaining, 234.648438 MB of memory in use. ENERGY: 4014400 3921.6904 20565.8922 14525.7583 220.1371 -203497.0636 2981.0952 0.0000 0.0000 52186.2165 -109096.2739 299.9149 -161282.4904 -108734.0532 299.2202 53.2206 84.4427 763894.5451 -8.2339 -8.3068 PRESSURE: 4014600 -56.9027 -157.42 -139.477 -157.419 -90.3146 -152.804 -139.477 -152.803 389.657 GPRESSURE: 4014600 -57.2975 -67.7536 -85.417 -212.85 -10.25 -153.841 -229.766 -101.856 401.375 PRESSAVG: 4014600 -23.0069 -26.1075 -31.5277 -26.1075 28.1536 -27.8974 -31.5277 -27.8974 0.443104 GPRESSAVG: 4014600 -23.6866 -26.1919 -29.9247 -26.2129 28.2861 -29.2915 -33.6602 -26.8097 0.595766 TIMING: 4014600 CPU: 12540.9, 0.00311617/step Wall: 12540.9, 0.00311617/step, 0.852964 hours remaining, 234.648438 MB of memory in use. ENERGY: 4014600 4031.8988 20604.8705 14515.4155 255.1294 -203019.2468 2532.3555 0.0000 0.0000 52078.0824 -109001.4946 299.2935 -161079.5770 -108647.9806 299.4069 80.8131 111.2759 763338.0120 1.8632 1.7318 PRESSURE: 4014800 260.418 -234.638 -142.919 -234.637 -179.102 100.664 -142.919 100.664 -443.089 GPRESSURE: 4014800 196.518 -227.27 -149.953 -192.186 -91.9233 163.566 -26.6558 113.046 -389.468 PRESSAVG: 4014800 43.9438 -33.3048 -39.659 -33.3049 -52.1784 -12.2195 -39.659 -12.2195 -23.7092 GPRESSAVG: 4014800 45.0076 -31.3133 -39.352 -33.4406 -52.5866 -12.0053 -37.4263 -12.5396 -24.1574 TIMING: 4014800 CPU: 12541.5, 0.00310411/step Wall: 12541.5, 0.00310411/step, 0.849492 hours remaining, 234.648438 MB of memory in use. ENERGY: 4014800 3977.4644 20431.2068 14504.4688 259.4077 -202775.1664 2443.3390 0.0000 0.0000 52439.3206 -108719.9592 301.3695 -161159.2798 -108356.9404 299.8797 -120.5909 -94.9579 764454.0097 -10.6479 -10.5788 PRESSURE: 4015000 -159.141 -192.988 66.0699 -192.988 -409.052 -124.88 66.0696 -124.881 40.7221 GPRESSURE: 4015000 -197.979 -51.5825 170.565 -165.299 -314.089 -186.728 135.328 -139.684 79.1948 PRESSAVG: 4015000 8.83136 -23.9248 25.9275 -23.9248 -11.472 66.7743 25.9274 66.7743 3.79072 GPRESSAVG: 4015000 8.59826 -24.8033 27.7544 -25.2443 -11.1591 67.3264 23.1591 67.3008 3.81586 TIMING: 4015000 CPU: 12542.1, 0.00310756/step Wall: 12542.1, 0.00310756/step, 0.850263 hours remaining, 234.636719 MB of memory in use. ENERGY: 4015000 4015.2609 20501.1081 14479.2447 241.0142 -203001.9918 2693.8848 0.0000 0.0000 52138.2537 -108933.2254 299.6393 -161071.4791 -108568.6271 299.9892 -175.8237 -144.2910 761644.1472 0.3833 0.4183 PRESSURE: 4015200 185.101 -192.714 -121.567 -192.714 -76.1716 9.06821 -121.567 9.06874 179.054 GPRESSURE: 4015200 256.377 -186.765 -167.253 -133.127 -75.4367 74.2073 -141.448 63.8692 191.526 PRESSAVG: 4015200 -8.93084 -66.6125 15.1364 -66.6124 6.0851 -17.5478 15.1364 -17.5479 14.4862 GPRESSAVG: 4015200 -8.70082 -66.0303 12.4141 -65.452 6.47993 -17.3235 16.8364 -18.8188 14.137 TIMING: 4015200 CPU: 12542.7, 0.0030976/step Wall: 12542.7, 0.0030976/step, 0.847367 hours remaining, 234.636719 MB of memory in use. ENERGY: 4015200 3998.3874 20441.8399 14456.4694 232.7747 -202881.5124 2495.2849 0.0000 0.0000 52389.7226 -108867.0336 301.0845 -161256.7562 -108496.6901 299.2332 95.9945 124.1555 761749.6066 3.8801 3.9720 PRESSURE: 4015400 -184.842 116.804 80.9582 116.803 -316.136 -28.5543 80.9586 -28.5536 -142.881 GPRESSURE: 4015400 -108.234 114.213 20.5254 147.123 -282.644 -34.1101 50.173 -81.3773 -170.873 PRESSAVG: 4015400 -10.411 -23.9822 -18.9489 -23.9822 30.382 9.74828 -18.9489 9.7483 -10.7715 GPRESSAVG: 4015400 -11.404 -24.4744 -17.7497 -23.8783 31.2062 9.02036 -20.2585 10.1845 -10.9043 TIMING: 4015400 CPU: 12543.4, 0.00312892/step Wall: 12543.4, 0.00312892/step, 0.85576 hours remaining, 234.636719 MB of memory in use. ENERGY: 4015400 3970.8100 20682.1109 14499.2653 242.0384 -203056.9230 2706.6315 0.0000 0.0000 51922.0426 -109034.0242 298.3967 -160956.0669 -108664.7431 299.9099 -214.6196 -187.2503 763978.1188 3.0665 2.9660 PRESSURE: 4015600 -51.9274 114.11 177.296 114.111 -360.201 -194.427 177.297 -194.428 -427.536 GPRESSURE: 4015600 13.2631 127.183 195.727 9.54951 -455.049 -155.779 118.543 -222.598 -323.973 PRESSAVG: 4015600 5.73918 9.78234 -26.2789 9.78235 -32.5196 -8.54679 -26.279 -8.54673 9.25928 GPRESSAVG: 4015600 5.76795 10.6985 -28.1726 7.72108 -32.6413 -8.22627 -25.6544 -7.6304 9.31411 TIMING: 4015600 CPU: 12544, 0.00313418/step Wall: 12544, 0.00313418/step, 0.857025 hours remaining, 234.648438 MB of memory in use. ENERGY: 4015600 3980.8876 20741.2474 14461.3175 242.0249 -202957.3392 2585.0760 0.0000 0.0000 51978.1258 -108968.6599 298.7190 -160946.7857 -108603.0903 299.6228 -279.8880 -255.2528 764754.8899 -5.8404 -5.8531 PRESSURE: 4015800 -290.047 152.862 -246.051 152.862 106.618 106.205 -246.051 106.206 -77.4902 GPRESSURE: 4015800 -276.891 126.641 -189.22 11.3958 148.368 124.695 -267.809 88.3237 -47.4869 PRESSAVG: 4015800 -6.33235 -2.72725 -63.1216 -2.72716 45.6103 40.2256 -63.1216 40.2256 -19.4914 GPRESSAVG: 4015800 -5.1355 -3.75516 -64.4434 -2.91547 44.0658 41.9532 -61.0137 39.2817 -18.5603 TIMING: 4015800 CPU: 12544.6, 0.00310018/step Wall: 12544.6, 0.00310018/step, 0.847556 hours remaining, 234.648438 MB of memory in use. ENERGY: 4015800 4002.9416 20316.3981 14513.4578 256.9133 -202705.0129 2522.7910 0.0000 0.0000 52132.5766 -108959.9345 299.6066 -161092.5111 -108588.6761 299.3976 -86.9732 -58.6701 764056.1108 6.5955 6.7900 PRESSURE: 4016000 80.9897 -179.498 136.725 -179.498 49.2555 24.0871 136.725 24.0876 200.847 GPRESSURE: 4016000 81.6164 -83.2455 101.885 -157.164 106.241 155.515 154.601 13.9124 237.847 PRESSAVG: 4016000 -6.38719 -13.2244 -43.9244 -13.2243 -36.1959 50.1356 -43.9244 50.1356 -0.467882 GPRESSAVG: 4016000 -6.69493 -11.753 -41.1698 -10.3427 -34.8886 49.3015 -46.3038 50.0707 -1.59025 TIMING: 4016000 CPU: 12545.2, 0.00312541/step Wall: 12545.2, 0.00312541/step, 0.854278 hours remaining, 234.648438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4016000 3990.8497 20407.1273 14446.1102 237.0186 -203027.6452 2676.9370 0.0000 0.0000 52171.8491 -109097.7534 299.8323 -161269.6024 -108731.2790 299.2478 110.3642 141.9015 762324.1942 -14.3503 -14.3913 PRESSURE: 4016200 -213.868 -123.058 -3.95799 -123.057 -81.4843 89.0622 -3.9578 89.0623 -330.073 GPRESSURE: 4016200 -156.232 -119.657 -2.14422 -158.991 -127.152 122.758 -18.8806 35.7331 -252.261 PRESSAVG: 4016200 -30.2537 -11.6834 7.98625 -11.6834 36.986 -39.1433 7.9862 -39.1433 2.9936 GPRESSAVG: 4016200 -29.6917 -11.2375 7.23444 -13.8125 36.0511 -39.9051 6.96016 -38.6605 3.79306 TIMING: 4016200 CPU: 12545.9, 0.00312265/step Wall: 12545.9, 0.00312265/step, 0.853351 hours remaining, 234.648438 MB of memory in use. ENERGY: 4016200 4013.2306 20426.7659 14423.5510 254.8636 -202862.6810 2575.7486 0.0000 0.0000 52114.0657 -109054.4556 299.5003 -161168.5213 -108688.7776 299.2834 -208.4750 -178.5486 762360.5785 3.2419 3.3842 LDB: ============= START OF LOAD BALANCING ============== 12558.3 LDB: ============== END OF LOAD BALANCING =============== 12558.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12558.3 LDB: ============= START OF LOAD BALANCING ============== 12558.6 LDB: Largest compute 7048 load 0.029266 is 15.0% of average load 0.195242 LDB: Average compute 0.004414 is 2.3% of average load 0.195242 LDB: TIME 12558.6 LOAD: AVG 0.195242 MAX 0.216326 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.379 MB LDB: TIME 12558.6 LOAD: AVG 0.195242 MAX 0.216326 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.582 MB LDB: TIME 12558.6 LOAD: AVG 0.195242 MAX 0.216326 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.582 MB LDB: ============== END OF LOAD BALANCING =============== 12558.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12558.7 PRESSURE: 4016400 -43.9838 -193.47 -68.7101 -193.469 -436.782 68.0077 -68.7103 68.0072 7.62536 GPRESSURE: 4016400 -27.4761 -232.287 41.5302 -132.206 -300.016 79.8691 21.2805 -23.7849 -52.7905 PRESSAVG: 4016400 8.51441 13.3095 4.86828 13.3096 -8.89251 -38.4582 4.86815 -38.4582 19.7982 GPRESSAVG: 4016400 8.2315 12.8365 4.11306 14.8723 -7.70935 -40.2133 7.13342 -38.7764 19.1538 TIMING: 4016400 CPU: 12546.5, 0.00318036/step Wall: 12546.5, 0.00318036/step, 0.868944 hours remaining, 233.027344 MB of memory in use. ENERGY: 4016400 3927.3043 20651.0617 14478.7635 241.5353 -203286.9904 2691.4782 0.0000 0.0000 52070.1534 -109226.6940 299.2479 -161296.8474 -108876.7037 299.4903 -157.7135 -126.7608 763418.0424 6.4734 6.5586 PRESSURE: 4016600 133.236 -40.7304 224.761 -40.7299 -59.4836 -262.986 224.76 -262.986 -189.574 GPRESSURE: 4016600 207.891 25.3457 272.196 27.9039 18.2082 -228.107 106.643 -172.065 -239.054 PRESSAVG: 4016600 -33.5553 16.6639 -17.7347 16.6638 9.48033 -48.7888 -17.7347 -48.7889 14.3262 GPRESSAVG: 4016600 -32.9375 15.4273 -18.9855 14.1364 8.2169 -47.1558 -18.0576 -49.0191 15.3138 TIMING: 4016600 CPU: 12547.1, 0.00310638/step Wall: 12547.1, 0.00310638/step, 0.848559 hours remaining, 233.097656 MB of memory in use. ENERGY: 4016600 3969.7314 20473.8309 14496.1921 236.9264 -203080.2761 2511.6711 0.0000 0.0000 52087.9450 -109303.9791 299.3501 -161391.9241 -108938.3434 299.2583 -38.6071 -4.3183 763474.3363 -3.2496 -3.1356 PRESSURE: 4016800 -225.286 -114.641 52.0253 -114.641 -418.507 81.2119 52.0244 81.2116 -327.753 GPRESSURE: 4016800 -232.273 -96.7778 27.7794 28.798 -251.52 64.662 82.0321 70.2165 -409.013 PRESSAVG: 4016800 -7.96213 -27.7734 24.5455 -27.7734 26.4515 6.09153 24.5455 6.09154 1.77429 GPRESSAVG: 4016800 -8.13642 -26.1791 26.3586 -25.8933 27.1587 7.23364 23.0249 6.63551 1.02085 TIMING: 4016800 CPU: 12547.7, 0.00309451/step Wall: 12547.7, 0.00309451/step, 0.845146 hours remaining, 233.097656 MB of memory in use. ENERGY: 4016800 4047.3330 20427.8376 14455.2168 226.4690 -203312.1398 2587.4484 0.0000 0.0000 52088.5084 -109479.3266 299.3534 -161567.8349 -109130.9022 298.7676 -323.8485 -297.6021 762903.1179 6.7546 6.6810 PRESSURE: 4017000 -0.975146 5.54108 -17.2154 5.54135 -21.313 -114.736 -17.2164 -114.736 184.023 GPRESSURE: 4017000 21.8044 -56.3983 -14.5854 -99.3438 0.233497 -56.9908 -97.4139 -188.309 237.011 PRESSAVG: 4017000 -10.4693 14.1961 -33.0473 14.1961 29.5467 -40.7215 -33.0473 -40.7215 -13.4919 GPRESSAVG: 4017000 -10.4423 12.9463 -33.8131 15.0136 28.2323 -42.4952 -32.8522 -39.4248 -12.3585 TIMING: 4017000 CPU: 12548.3, 0.00309177/step Wall: 12548.3, 0.00309177/step, 0.844225 hours remaining, 233.097656 MB of memory in use. ENERGY: 4017000 4040.6217 20534.0024 14390.1421 234.7709 -203381.2873 2830.9518 0.0000 0.0000 52125.8043 -109224.9940 299.5677 -161350.7983 -108875.4885 299.0581 53.9116 86.3496 762944.3551 1.8618 1.8105 PRESSURE: 4017200 27.3043 -39.7742 -13.1127 -39.7734 -105.503 43.3916 -13.1127 43.3911 -25.2551 GPRESSURE: 4017200 40.3477 -196.316 -31.285 77.2662 -47.9702 88.3702 -18.7247 206.183 -24.5824 PRESSAVG: 4017200 2.8733 -20.6661 -3.41594 -20.6661 -8.8845 -48.4964 -3.41595 -48.4964 -18.3391 GPRESSAVG: 4017200 2.72951 -22.0608 -4.69653 -21.597 -7.98759 -47.1673 -2.33044 -49.1059 -18.6562 TIMING: 4017200 CPU: 12549, 0.00309933/step Wall: 12549, 0.00309933/step, 0.846116 hours remaining, 233.097656 MB of memory in use. ENERGY: 4017200 3999.0144 20550.2226 14501.7467 249.4237 -202716.7279 2555.2470 0.0000 0.0000 51842.2849 -109018.7886 297.9383 -160861.0735 -108657.9016 299.4183 -34.4847 -10.7350 765095.0153 -8.1168 -7.9714 PRESSURE: 4017400 254.669 -193.355 -103.954 -193.354 281.764 -194.514 -103.954 -194.513 105.889 GPRESSURE: 4017400 269.654 8.18692 -127.4 -101.851 324.664 -171.318 79.3025 -224.07 126.305 PRESSAVG: 4017400 -13.9086 -77.1101 -28.8182 -77.1101 -3.47499 -25.8429 -28.8182 -25.8429 -5.51233 GPRESSAVG: 4017400 -14.8743 -76.5516 -27.4388 -77.5373 -2.94352 -27.6197 -28.8807 -24.7651 -5.59313 TIMING: 4017400 CPU: 12549.6, 0.00311211/step Wall: 12549.6, 0.00311211/step, 0.849433 hours remaining, 233.097656 MB of memory in use. ENERGY: 4017400 4019.3282 20537.0978 14504.8916 253.8922 -203635.6120 3053.6708 0.0000 0.0000 52184.9983 -109081.7330 299.9079 -161266.7314 -108718.5363 299.4128 214.1073 240.2077 763118.2599 -7.6320 -7.8037 PRESSURE: 4017600 104.636 5.57845 -140.724 5.57874 -202.408 209.684 -140.723 209.685 -432.796 GPRESSURE: 4017600 81.8572 -75.7064 -49.4221 65.3131 -188.104 189.014 -127.276 186.258 -347.3 PRESSAVG: 4017600 -23.4111 29.7674 15.7795 29.7674 -31.1666 1.29398 15.7795 1.29411 14.9881 GPRESSAVG: 4017600 -22.0861 32.1073 15.988 28.5633 -32.7393 2.12738 15.7757 -0.807585 14.7841 TIMING: 4017600 CPU: 12550.2, 0.0031169/step Wall: 12550.2, 0.0031169/step, 0.850568 hours remaining, 233.097656 MB of memory in use. ENERGY: 4017600 3990.4107 20449.8693 14543.5500 240.5510 -203009.8351 2551.6446 0.0000 0.0000 52163.2067 -109070.6028 299.7827 -161233.8095 -108713.7662 299.0219 -176.8560 -151.1824 764032.8279 -13.1966 -13.3471 PRESSURE: 4017800 -196.823 -271.27 52.443 -271.27 121.343 66.4917 52.4428 66.4911 243.473 GPRESSURE: 4017800 -80.9842 -125.424 -19.385 -336.258 106.889 41.8233 53.1282 17.5505 231.517 PRESSAVG: 4017800 21.2077 -10.5836 -27.6254 -10.5836 -55.5202 30.3251 -27.6255 30.325 -18.4698 GPRESSAVG: 4017800 21.1229 -8.1308 -28.6368 -7.83089 -55.4208 29.9103 -27.8297 28.998 -18.5898 TIMING: 4017800 CPU: 12550.8, 0.0031164/step Wall: 12550.8, 0.0031164/step, 0.850257 hours remaining, 233.097656 MB of memory in use. ENERGY: 4017800 3992.3307 20572.2127 14524.9269 276.8083 -203115.0301 2906.9122 0.0000 0.0000 51920.1932 -108921.6460 298.3861 -160841.8392 -108565.5504 299.6507 55.9976 85.8072 764640.4012 -17.5941 -17.6292 PRESSURE: 4018000 -278.077 67.1372 179.703 67.1366 151.002 64.8806 179.704 64.8814 -10.284 GPRESSURE: 4018000 -251.182 -68.9608 203.173 55.0295 156.411 69.4411 177.266 41.9073 46.9137 PRESSAVG: 4018000 38.1123 0.214643 -26.5163 0.214639 -75.1314 -17.6861 -26.5163 -17.6861 -15.478 GPRESSAVG: 4018000 37.4936 -3.45219 -25.4498 -1.70496 -74.3192 -16.3657 -27.339 -15.9935 -15.9224 TIMING: 4018000 CPU: 12551.5, 0.00314248/step Wall: 12551.5, 0.00314248/step, 0.857198 hours remaining, 233.097656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4018000 3977.1706 20265.0614 14472.1917 257.6271 -202668.1692 2579.5618 0.0000 0.0000 52444.2674 -108672.2891 301.3979 -161116.5565 -108306.8556 300.3459 -45.7864 -15.9523 764524.3737 -17.4990 -17.5827 PRESSURE: 4018200 317.765 -187.398 -24.0868 -187.398 4.49628 96.2016 -24.0867 96.2021 -229.213 GPRESSURE: 4018200 395.827 -97.998 -49.3949 -180.764 -55.7117 127.863 -71.7975 -97.3659 -152.698 PRESSAVG: 4018200 26.7982 8.20166 -18.7971 8.20164 21.2439 -10.6593 -18.797 -10.6593 29.4841 GPRESSAVG: 4018200 25.2376 10.4937 -18.9352 7.44341 20.9082 -11.8523 -16.9972 -11.4022 31.0294 TIMING: 4018200 CPU: 12552.1, 0.00310935/step Wall: 12552.1, 0.00310934/step, 0.847987 hours remaining, 233.097656 MB of memory in use. ENERGY: 4018200 3980.6664 20674.0468 14451.2358 238.7024 -202948.4064 2558.7406 0.0000 0.0000 52113.7698 -108931.2446 299.4986 -161045.0144 -108585.1075 300.1958 31.0160 62.4725 763758.7494 25.8421 25.7250 PRESSURE: 4018400 -89.1616 -110.152 87.3847 -110.151 -289.013 102.6 87.3844 102.601 18.9959 GPRESSURE: 4018400 -29.332 -127.826 92.6154 -156 -279.303 86.2914 104.472 48.682 37.8412 PRESSAVG: 4018400 35.4471 -61.0848 -29.1532 -61.0849 -28.4926 -53.6528 -29.1532 -53.6527 4.96275 GPRESSAVG: 4018400 36.9923 -64.6422 -28.6103 -58.8218 -28.7864 -53.6299 -28.8854 -53.3809 3.27447 TIMING: 4018400 CPU: 12552.7, 0.00311211/step Wall: 12552.7, 0.00311211/step, 0.848568 hours remaining, 233.097656 MB of memory in use. ENERGY: 4018400 4017.7496 20449.6970 14477.5993 257.0572 -203149.6848 2730.1950 0.0000 0.0000 52202.2676 -109015.1190 300.0071 -161217.3866 -108657.4203 299.6135 -119.7263 -90.2645 763266.8174 3.9724 3.8268 PRESSURE: 4018600 -94.0456 -58.4801 -30.7085 -58.4797 77.1708 221.328 -30.7081 221.327 150.235 GPRESSURE: 4018600 -96.0764 10.2083 -32.1419 -118.279 129.292 197.282 -93.2204 187.555 190.589 PRESSAVG: 4018600 -6.78041 -15.2361 -13.9625 -15.236 16.2359 -45.3282 -13.9625 -45.3282 -13.2819 GPRESSAVG: 4018600 -7.94147 -13.6599 -13.1368 -16.3611 16.0995 -47.0259 -15.1681 -44.2079 -11.515 TIMING: 4018600 CPU: 12553.3, 0.00311661/step Wall: 12553.3, 0.00311661/step, 0.849623 hours remaining, 233.097656 MB of memory in use. ENERGY: 4018600 3975.3802 20427.9929 14536.2131 248.4527 -203453.2989 2773.8111 0.0000 0.0000 52301.6448 -109189.8041 300.5783 -161491.4489 -108820.8364 299.5092 44.4533 74.6015 761087.4144 -1.2755 -1.1190 PRESSURE: 4018800 -127.241 21.5407 -81.5875 21.5413 -315.446 143.235 -81.588 143.234 54.095 GPRESSURE: 4018800 -42.8308 115.99 -142.372 66.1636 -247.964 101.747 -37.6173 127.457 -21.2847 PRESSAVG: 4018800 -13.2307 -0.333749 -5.31355 -0.333756 91.0995 0.822986 -5.31353 0.823048 -11.7191 GPRESSAVG: 4018800 -13.4023 1.37549 -7.05311 -0.819967 91.8884 1.21793 -2.67598 2.40565 -11.9834 TIMING: 4018800 CPU: 12554, 0.00311006/step Wall: 12554, 0.00311006/step, 0.847664 hours remaining, 233.097656 MB of memory in use. ENERGY: 4018800 3987.2202 20547.6405 14520.3903 253.2228 -203284.3518 2832.5249 0.0000 0.0000 52117.9959 -109025.3572 299.5228 -161143.3531 -108672.0975 299.6598 -129.5306 -104.0266 764009.8688 22.0499 22.1676 PRESSURE: 4019000 78.1288 -117.085 188.067 -117.085 -208.199 164.561 188.067 164.561 145.848 GPRESSURE: 4019000 92.6811 -128.524 192.36 -7.23806 -144.665 193.769 344.373 72.8469 137.609 PRESSAVG: 4019000 -36.6518 -45.8279 11.5859 -45.8279 57.8058 19.9224 11.5859 19.9224 3.48713 GPRESSAVG: 4019000 -35.4027 -45.3258 11.2598 -45.1161 57.4182 22.9947 9.26649 16.5439 2.06098 TIMING: 4019000 CPU: 12554.6, 0.00310442/step Wall: 12554.6, 0.00310442/step, 0.845954 hours remaining, 233.097656 MB of memory in use. ENERGY: 4019000 4021.3069 20592.8825 14523.7417 265.1382 -202763.8135 2507.2028 0.0000 0.0000 52067.8641 -108785.6773 299.2347 -160853.5414 -108418.9522 300.0337 5.2591 28.5418 763870.3206 8.2137 8.0255 PRESSURE: 4019200 -215.214 199.568 169.595 199.569 60.3556 -111.012 169.596 -111.012 228.862 GPRESSURE: 4019200 -14.9262 236.145 149.521 35.2644 32.0527 -41.9804 163.862 -227.081 161.755 PRESSAVG: 4019200 -34.5333 -7.35049 -21.9159 -7.35047 22.1927 -29.4 -21.9159 -29.4001 14.4696 GPRESSAVG: 4019200 -33.7128 -11.4376 -22.5124 -4.04806 21.1008 -29.9451 -20.3926 -29.2059 14.6448 TIMING: 4019200 CPU: 12555.2, 0.00309064/step Wall: 12555.2, 0.00309064/step, 0.842027 hours remaining, 233.097656 MB of memory in use. ENERGY: 4019200 3985.8023 20528.9417 14513.4393 240.6733 -203404.1878 2975.0916 0.0000 0.0000 52516.3729 -108643.8667 301.8123 -161160.2397 -108275.7514 300.7574 24.6679 59.6273 764261.4497 0.7097 0.6776 PRESSURE: 4019400 -118.39 -65.2844 -51.505 -65.2842 192.445 10.9002 -51.5049 10.9008 185.479 GPRESSURE: 4019400 0.560281 -79.1296 -177.49 -96.7909 194.275 -49.3912 -55.0576 -185.922 160.939 PRESSAVG: 4019400 0.636531 -36.6016 27.698 -36.6016 17.938 -0.702928 27.6979 -0.702846 24.1552 GPRESSAVG: 4019400 -1.0707 -32.4538 28.7956 -42.4171 19.3038 -1.57132 24.6656 -1.72707 24.7868 TIMING: 4019400 CPU: 12555.8, 0.00309657/step Wall: 12555.8, 0.00309657/step, 0.843472 hours remaining, 233.097656 MB of memory in use. ENERGY: 4019400 4040.8376 20573.0743 14495.2990 231.1906 -203528.7268 2753.5177 0.0000 0.0000 52535.4554 -108899.3522 301.9220 -161434.8077 -108535.0052 300.7000 86.5118 118.5915 762301.1638 14.2432 14.3400 PRESSURE: 4019600 83.4063 4.2723 272.827 4.27121 73.6621 -159.96 272.827 -159.96 90.2752 GPRESSURE: 4019600 109.618 -61.7544 295.502 22.2257 97.1514 -83.2591 115.008 -58.5099 127.442 PRESSAVG: 4019600 92.3951 41.5044 -21.9194 41.5044 -37.9205 -54.6579 -21.9194 -54.6579 33.4753 GPRESSAVG: 4019600 93.0935 39.6156 -22.672 45.6148 -38.4045 -52.5096 -20.9055 -55.1456 33.1604 TIMING: 4019600 CPU: 12556.4, 0.00309597/step Wall: 12556.4, 0.00309597/step, 0.843137 hours remaining, 233.097656 MB of memory in use. ENERGY: 4019600 3944.6211 20591.5278 14515.2397 251.1637 -203235.0589 2871.9552 0.0000 0.0000 52168.9973 -108891.5541 299.8159 -161060.5514 -108525.4642 300.1445 82.4478 111.4036 763854.9897 29.3166 29.2831 PRESSURE: 4019800 24.4997 -13.3224 -180.633 -13.3223 123.041 -82.8156 -180.634 -82.8157 -216.229 GPRESSURE: 4019800 41.3585 -17.979 -154.243 -102.352 79.8342 -126.837 -65.665 -17.4955 -110.756 PRESSAVG: 4019800 23.6766 -6.3122 25.6417 -6.31219 28.9654 19.3838 25.6417 19.3838 -7.95053 GPRESSAVG: 4019800 22.3831 -6.00585 26.6236 -6.22695 28.5083 16.4206 27.4985 24.0485 -5.95003 TIMING: 4019800 CPU: 12557, 0.00308915/step Wall: 12557, 0.00308915/step, 0.841107 hours remaining, 233.097656 MB of memory in use. ENERGY: 4019800 3956.7285 20572.2481 14484.0856 226.5756 -203259.8918 2804.2551 0.0000 0.0000 52303.2129 -108912.7860 300.5873 -161215.9989 -108554.0471 299.9953 -22.8959 3.4790 763407.4702 14.8972 14.9805 PRESSURE: 4020000 -90.3559 -13.3988 164.861 -13.3991 -15.8325 -100.382 164.86 -100.384 289.789 GPRESSURE: 4020000 -25.8 -0.717003 179.198 15.5088 28.9502 -74.8439 176.063 -125.927 281.176 PRESSAVG: 4020000 -36.3088 -4.98164 68.7945 -4.98163 43.1963 -28.2731 68.7945 -28.2731 7.749 GPRESSAVG: 4020000 -34.0669 -4.82318 67.5988 -7.30595 42.8455 -26.8451 67.9224 -30.0215 6.28424 TIMING: 4020000 CPU: 12557.7, 0.00310833/step Wall: 12557.7, 0.00310833/step, 0.846157 hours remaining, 233.097656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4020000 3958.4069 20594.9615 14471.2925 260.7850 -203524.3931 2957.1113 0.0000 0.0000 52316.7247 -108965.1113 300.6649 -161281.8360 -108603.6493 300.1681 61.2002 94.7752 763540.9087 4.8788 5.0209 PRESSURE: 4020200 144.149 85.3407 24.541 85.3414 176.926 43.4515 24.541 43.4508 197.161 GPRESSURE: 4020200 204.326 23.4652 -68.5634 29.347 186.913 62.2684 63.606 11.4681 207.134 PRESSAVG: 4020200 -15.0856 21.83 8.60477 21.83 25.403 -26.7062 8.60475 -26.7062 -23.0445 GPRESSAVG: 4020200 -16.268 21.9421 10.1821 21.967 25.6184 -26.5792 4.73531 -26.52 -21.773 TIMING: 4020200 CPU: 12558.3, 0.00310028/step Wall: 12558.3, 0.00310028/step, 0.843794 hours remaining, 233.097656 MB of memory in use. ENERGY: 4020200 3960.2587 20572.1289 14612.8361 249.2767 -203044.0107 2629.2182 0.0000 0.0000 52207.2158 -108813.0763 300.0356 -161020.2921 -108445.5600 300.0708 172.7455 199.4575 762665.8713 -4.2423 -4.1409 LDB: ============= START OF LOAD BALANCING ============== 12570.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12570.8 LDB: =============== DONE WITH MIGRATION ================ 12570.8 LDB: ============= START OF LOAD BALANCING ============== 12571.1 LDB: Largest compute 7077 load 0.028442 is 14.6% of average load 0.195303 LDB: Average compute 0.004392 is 2.2% of average load 0.195303 LDB: TIME 12571.1 LOAD: AVG 0.195303 MAX 0.215845 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.699 MB LDB: TIME 12571.1 LOAD: AVG 0.195303 MAX 0.215845 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.723 MB LDB: TIME 12571.1 LOAD: AVG 0.195303 MAX 0.215845 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.723 MB LDB: ============== END OF LOAD BALANCING =============== 12571.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12571.1 PRESSURE: 4020400 135.329 36.0916 359.108 36.0913 350.942 58.6212 359.108 58.6216 -133.616 GPRESSURE: 4020400 164.207 -41.7562 329.443 31.9652 299.772 192.984 295.49 14.1747 -27.9571 PRESSAVG: 4020400 -41.5009 -61.9706 -56.9336 -61.9705 41.9093 -19.0467 -56.9336 -19.0466 7.82455 GPRESSAVG: 4020400 -39.7004 -62.4716 -59.3195 -61.8545 41.7271 -19.7796 -52.1697 -18.5747 5.98513 TIMING: 4020400 CPU: 12558.9, 0.00316799/step Wall: 12558.9, 0.00316799/step, 0.862044 hours remaining, 234.195312 MB of memory in use. ENERGY: 4020400 3964.8754 20483.3661 14506.4056 255.1384 -203581.1778 3107.0640 0.0000 0.0000 52423.1291 -108841.1993 301.2764 -161264.3284 -108476.2977 300.4300 117.5516 145.3405 761981.6557 2.7443 2.6706 PRESSURE: 4020600 197.349 -28.2732 189.653 -28.2726 -434.456 87.4364 189.652 87.4371 -106.849 GPRESSURE: 4020600 199.942 41.8398 136.75 -68.6499 -329.873 124.727 97.317 15.218 -128.115 PRESSAVG: 4020600 -10.9402 -16.5258 -2.5939 -16.5257 11.023 31.7391 -2.59389 31.7391 -14.9408 GPRESSAVG: 4020600 -13.6111 -14.4058 -1.09237 -16.8695 12.3364 30.0508 -2.48582 30.9064 -14.8529 TIMING: 4020600 CPU: 12559.5, 0.00309928/step Wall: 12559.5, 0.00309928/step, 0.843178 hours remaining, 234.386719 MB of memory in use. ENERGY: 4020600 4035.0078 20499.9791 14466.6613 246.0381 -202864.2970 2642.4409 0.0000 0.0000 52159.3843 -108814.7855 299.7607 -160974.1698 -108447.8931 300.3970 -114.6524 -86.0152 763852.4276 -4.9527 -5.3759 PRESSURE: 4020800 -141.664 307.718 -23.3291 307.717 -91.2684 -35.4892 -23.3297 -35.4892 37.9238 GPRESSURE: 4020800 -138.957 297.992 -35.8825 222.692 -13.6079 -44.4727 -107.903 -54.7998 61.73 PRESSAVG: 4020800 47.6511 -16.9175 5.93157 -16.9176 -32.75 19.1992 5.93156 19.1992 3.05491 GPRESSAVG: 4020800 47.7139 -18.5352 5.63769 -14.8705 -32.7015 19.5091 2.67712 19.5031 3.05829 TIMING: 4020800 CPU: 12560.2, 0.00308725/step Wall: 12560.2, 0.00308725/step, 0.839733 hours remaining, 234.386719 MB of memory in use. ENERGY: 4020800 3898.2409 20588.5962 14512.1567 249.1443 -203162.9769 2666.9144 0.0000 0.0000 52341.3165 -108906.6080 300.8063 -161247.9245 -108539.7851 300.1391 -65.0028 -30.2783 763180.4776 5.9853 6.0236 PRESSURE: 4021000 24.6389 72.9753 57.6074 72.9759 -218.896 65.1129 57.6076 65.1129 -29.1303 GPRESSURE: 4021000 52.5362 32.5443 93.9377 49.4125 -122.384 15.6387 -10.589 -29.069 -73.851 PRESSAVG: 4021000 25.8679 2.95506 16.4003 2.95507 -25.1886 -16.7689 16.4003 -16.7689 -20.1997 GPRESSAVG: 4021000 26.7109 4.32446 13.9781 0.890917 -26.7344 -14.8249 18.2706 -19.1936 -19.9621 TIMING: 4021000 CPU: 12560.8, 0.00310971/step Wall: 12560.8, 0.00310971/step, 0.845669 hours remaining, 234.386719 MB of memory in use. ENERGY: 4021000 3927.6140 20564.4269 14473.3710 230.6206 -203240.6752 2871.4536 0.0000 0.0000 52151.8957 -109021.2934 299.7177 -161173.1891 -108667.6175 300.2636 -74.4624 -47.8998 764429.5035 -6.5068 -6.6619 PRESSURE: 4021200 -23.6837 -79.8043 190.876 -79.8047 -230.05 -166.047 190.876 -166.047 -23.3555 GPRESSURE: 4021200 -6.50154 -116.063 83.0153 -79.2164 -236.979 -176.423 87.2707 -29.5388 56.1953 PRESSAVG: 4021200 9.78262 -21.2255 2.04481 -21.2254 -25.7313 -61.9508 2.04477 -61.9509 7.50233 GPRESSAVG: 4021200 8.87317 -21.9459 3.28513 -19.8673 -25.5459 -63.9245 1.90796 -58.8982 7.64369 TIMING: 4021200 CPU: 12561.4, 0.00310438/step Wall: 12561.4, 0.00310438/step, 0.844045 hours remaining, 234.464844 MB of memory in use. ENERGY: 4021200 3999.2708 20629.7344 14496.6099 256.8477 -203411.1650 2794.0250 0.0000 0.0000 52348.4268 -108886.2503 300.8471 -161234.6771 -108522.7798 299.9029 -92.3632 -62.4285 762554.4592 -2.8155 -3.0097 PRESSURE: 4021400 -271.764 -111.348 62.5481 -111.347 -64.9269 82.6995 62.5478 82.7002 45.0763 GPRESSURE: 4021400 -91.2117 -107.45 -18.5606 -119.705 -85.119 95.5575 106.807 68.0249 -26.6066 PRESSAVG: 4021400 3.66447 37.3766 -25.8812 37.3766 39.9067 -65.4649 -25.8812 -65.4649 19.4762 GPRESSAVG: 4021400 4.43953 37.8783 -24.1672 36.524 39.6905 -64.777 -25.5393 -65.5011 19.7858 TIMING: 4021400 CPU: 12562, 0.00311004/step Wall: 12562, 0.00311004/step, 0.845413 hours remaining, 234.464844 MB of memory in use. ENERGY: 4021400 3969.1718 20422.5941 14502.0929 255.7190 -203211.9001 2691.5971 0.0000 0.0000 52148.5895 -109222.1358 299.6987 -161370.7253 -108860.2639 300.1570 -97.2049 -67.6458 762685.6979 21.0158 21.3053 PRESSURE: 4021600 -82.6633 278.324 31.6676 278.325 -532.772 -41.8146 31.6672 -41.8142 74.6086 GPRESSURE: 4021600 -78.5171 291.406 51.8477 212.949 -413.306 -24.3321 -30.9376 141.052 47.7845 PRESSAVG: 4021600 19.4424 35.6504 -48.3992 35.6504 -33.5244 17.612 -48.3992 17.612 23.9717 GPRESSAVG: 4021600 18.3547 36.2227 -48.2422 33.935 -31.3889 17.8834 -49.4957 16.5903 23.0928 TIMING: 4021600 CPU: 12562.6, 0.00311564/step Wall: 12562.6, 0.00311564/step, 0.846763 hours remaining, 234.464844 MB of memory in use. ENERGY: 4021600 4058.1046 20371.8556 14451.8511 231.2171 -202990.4687 2490.5249 0.0000 0.0000 52266.6748 -109120.2406 300.3773 -161386.9154 -108759.5362 299.7995 -180.2756 -148.0129 763514.5699 3.2966 3.3529 PRESSURE: 4021800 -117.001 59.316 136.108 59.3154 104.916 -104.55 136.108 -104.551 -336.31 GPRESSURE: 4021800 -77.8121 138.184 93.6649 148.388 89.8312 -112.456 82.7378 -33.0935 -295.526 PRESSAVG: 4021800 -23.5592 -26.0643 -13.6426 -26.0644 5.08414 32.3329 -13.6425 32.3329 -2.75959 GPRESSAVG: 4021800 -22.2697 -26.2442 -13.6382 -25.4435 3.76804 33.1199 -13.9569 32.1354 -2.92416 TIMING: 4021800 CPU: 12563.3, 0.00311748/step Wall: 12563.3, 0.00311748/step, 0.84709 hours remaining, 234.464844 MB of memory in use. ENERGY: 4021800 3932.4027 20465.8845 14567.2962 244.0024 -202795.2337 2481.7054 0.0000 0.0000 52142.6761 -108961.2663 299.6647 -161103.9423 -108591.7865 299.5554 -116.1318 -94.5022 764654.3092 -7.0782 -7.1420 PRESSURE: 4022000 -316.273 -73.6884 88.2377 -73.6887 -44.9408 133.669 88.238 133.67 256.487 GPRESSURE: 4022000 -252.845 -15.2724 158.556 -142.339 -42.8917 35.9356 69.6071 187.461 263.943 PRESSAVG: 4022000 24.951 -26.3676 -61.3592 -26.3676 -15.8959 -18.6607 -61.3592 -18.6607 -7.43145 GPRESSAVG: 4022000 25.1635 -26.664 -60.6718 -26.8091 -16.3322 -20.5259 -60.887 -16.9019 -6.9353 TIMING: 4022000 CPU: 12563.9, 0.00310273/step Wall: 12563.9, 0.00310273/step, 0.842909 hours remaining, 234.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4022000 3984.8022 20535.9058 14509.4922 232.8579 -202761.8219 2586.6662 0.0000 0.0000 52071.0581 -108841.0394 299.2531 -160912.0975 -108494.9952 300.3116 -34.9087 -10.5979 764525.5191 0.5412 0.6320 PRESSURE: 4022200 68.4639 65.1667 -19.8677 65.1666 37.4076 -99.0231 -19.8676 -99.0232 43.9509 GPRESSURE: 4022200 117.731 76.9579 -74.4157 66.7598 156.655 -154.807 -53.2527 -23.7591 -39.1912 PRESSAVG: 4022200 -9.32631 33.1508 -49.8433 33.1508 -17.7534 40.121 -49.8434 40.121 -15.5737 GPRESSAVG: 4022200 -8.84341 30.1235 -52.4177 35.7065 -17.757 41.22 -48.865 40.2179 -16.0935 TIMING: 4022200 CPU: 12564.5, 0.00311082/step Wall: 12564.5, 0.00311083/step, 0.844935 hours remaining, 234.464844 MB of memory in use. ENERGY: 4022200 3981.2199 20562.7384 14509.3155 250.3224 -203472.9201 3101.0163 0.0000 0.0000 52041.2030 -109027.1046 299.0815 -161068.3076 -108673.6267 299.7486 49.9408 78.3983 763385.3625 -14.2178 -14.2313 PRESSURE: 4022400 84.6294 -181.891 -76.0678 -181.89 -4.24528 95.1024 -76.0676 95.1021 51.9334 GPRESSURE: 4022400 97.2543 -168.746 -120.173 22.3136 57.7044 53.0894 -64.2925 -29.0849 51.6574 PRESSAVG: 4022400 32.1699 38.1464 -10.4397 38.1463 -22.9875 -66.8994 -10.4396 -66.8994 0.932667 GPRESSAVG: 4022400 32.2276 41.5776 -8.4743 37.372 -22.9801 -65.3544 -10.06 -70.402 0.844291 TIMING: 4022400 CPU: 12565.1, 0.00310151/step Wall: 12565.1, 0.00310151/step, 0.842233 hours remaining, 234.464844 MB of memory in use. ENERGY: 4022400 3947.9356 20399.8206 14453.1852 235.2258 -202866.5199 2633.8503 0.0000 0.0000 52206.5792 -108989.9232 300.0319 -161196.5024 -108619.6056 299.8292 44.1058 68.8721 764090.0431 3.3717 3.3639 PRESSURE: 4022600 143.196 46.9458 -263.033 46.9463 76.8983 -231.865 -263.034 -231.865 225.252 GPRESSURE: 4022600 126.48 161.284 -282.206 22.197 156.743 -180.681 -222.477 -240.285 250.601 PRESSAVG: 4022600 19.0541 -39.6652 14.0444 -39.6652 -34.2782 -45.1032 14.0444 -45.1031 -19.1721 GPRESSAVG: 4022600 18.434 -41.1031 14.823 -39.5252 -33.6897 -46.3079 12.1224 -44.0509 -19.0788 TIMING: 4022600 CPU: 12565.8, 0.00311261/step Wall: 12565.8, 0.00311261/step, 0.845074 hours remaining, 234.464844 MB of memory in use. ENERGY: 4022600 3988.9734 20627.5432 14498.7108 255.8023 -203566.5687 2807.9633 0.0000 0.0000 52264.9549 -109122.6207 300.3674 -161387.5756 -108759.5894 299.9660 148.4489 177.9415 761646.5246 -11.4654 -11.4448 PRESSURE: 4022800 -158.467 -123.585 108.285 -123.584 -83.5735 -174.848 108.287 -174.848 274.044 GPRESSURE: 4022800 -71.996 26.1025 86.5347 -132.126 -83.7701 -202.324 -86.3251 -17.8994 257.71 PRESSAVG: 4022800 -0.120185 47.7998 -0.214986 47.7998 -30.1858 -3.65741 -0.214916 -3.65758 -10.7742 GPRESSAVG: 4022800 -1.50643 49.439 -1.78153 46.6276 -28.9597 -4.43974 1.387 -2.56867 -10.4947 TIMING: 4022800 CPU: 12566.4, 0.00311585/step Wall: 12566.4, 0.00311585/step, 0.84578 hours remaining, 234.464844 MB of memory in use. ENERGY: 4022800 3975.7154 20504.3553 14404.1235 233.1102 -203373.8095 2828.6017 0.0000 0.0000 52261.2956 -109166.6078 300.3464 -161427.9034 -108799.0353 299.5726 10.6679 33.9814 763791.8321 -13.6934 -13.6536 PRESSURE: 4023000 -247.715 -61.1851 -308.211 -61.1846 -81.3188 -178.316 -308.211 -178.316 -157.671 GPRESSURE: 4023000 -271.958 20.5379 -288.733 -21.5735 -12.2676 -50.3087 -197.348 -214.633 -100.726 PRESSAVG: 4023000 -33.8561 -8.10646 10.3534 -8.10652 44.273 -22.5096 10.3533 -22.5095 -9.75149 GPRESSAVG: 4023000 -33.5036 -7.91304 10.9251 -8.74156 43.8235 -21.0732 9.0552 -21.4038 -9.29651 TIMING: 4023000 CPU: 12567, 0.0031185/step Wall: 12567, 0.0031185/step, 0.846326 hours remaining, 234.464844 MB of memory in use. ENERGY: 4023000 4020.3698 20493.5374 14435.3196 226.5850 -203353.6737 2756.4919 0.0000 0.0000 52240.4140 -109180.9560 300.2264 -161421.3700 -108815.4748 299.6638 -162.2350 -128.3173 762453.8083 0.2218 0.3412 PRESSURE: 4023200 196.537 9.59116 -51.6692 9.59068 149.331 -140.19 -51.6694 -140.188 -292.724 GPRESSURE: 4023200 196.275 99.119 18.2803 -19.0883 206.962 -54.2097 13.9434 -202.072 -277.003 PRESSAVG: 4023200 -24.6523 62.6296 -0.968403 62.6295 0.300332 -5.62895 -0.968392 -5.62899 15.7044 GPRESSAVG: 4023200 -24.9604 62.1297 -0.885243 61.9581 -0.130635 -6.68218 0.466706 -6.37862 15.9774 TIMING: 4023200 CPU: 12567.6, 0.00311929/step Wall: 12567.6, 0.00311929/step, 0.846366 hours remaining, 234.464844 MB of memory in use. ENERGY: 4023200 4052.0974 20565.8336 14466.2610 255.4189 -203679.8533 3071.7120 0.0000 0.0000 51929.5710 -109338.9594 298.4400 -161268.5303 -108988.4272 299.6301 17.7144 42.0781 763245.6154 -2.8825 -3.0379 PRESSURE: 4023400 -141.645 -139.515 -160.986 -139.515 -370.959 -65.6037 -160.987 -65.6037 -126.583 GPRESSURE: 4023400 -70.0443 -211.177 -230.655 -208.04 -298.732 34.8339 -13.8827 -81.7016 -189.415 PRESSAVG: 4023400 39.3974 -51.5818 -12.3943 -51.5818 -22.6711 -22.7015 -12.3943 -22.7015 -29.0841 GPRESSAVG: 4023400 39.9199 -52.6929 -13.2724 -51.0673 -21.9799 -21.9839 -12.3255 -21.7974 -29.7338 TIMING: 4023400 CPU: 12568.3, 0.00311323/step Wall: 12568.3, 0.00311323/step, 0.844551 hours remaining, 234.464844 MB of memory in use. ENERGY: 4023400 4070.9474 20548.8648 14505.0601 248.0105 -203181.7169 2543.8570 0.0000 0.0000 52132.9042 -109132.0729 299.6085 -161264.9770 -108772.5080 299.5243 -213.0620 -186.0638 764023.3899 -4.1193 -3.9313 PRESSURE: 4023600 124.33 250.384 -118.348 250.384 -35.8289 192.339 -118.348 192.339 705.623 GPRESSURE: 4023600 202.353 197.533 -133.485 199.299 37.5659 176.191 -224.029 213.019 648.01 PRESSAVG: 4023600 -24.3365 24.4304 -6.29992 24.4304 -0.920255 30.6444 -6.29988 30.6442 1.30538 GPRESSAVG: 4023600 -23.1619 24.9474 -6.58101 25.1528 -2.25815 31.4038 -5.91935 29.3313 1.90433 TIMING: 4023600 CPU: 12568.9, 0.0031106/step Wall: 12568.9, 0.0031106/step, 0.843664 hours remaining, 234.464844 MB of memory in use. ENERGY: 4023600 4029.4869 20491.2748 14436.8586 259.7981 -203673.2394 2953.4200 0.0000 0.0000 52215.3007 -109287.1003 300.0821 -161502.4010 -108916.6799 299.6116 264.7081 295.9761 763073.1127 -7.9838 -7.8386 PRESSURE: 4023800 -23.0922 35.8209 -87.1073 35.8204 383.271 -64.7885 -87.108 -64.7878 68.9329 GPRESSURE: 4023800 -41.9741 107.201 -19.4975 -48.8722 483.725 -46.0593 -157.646 -65.8973 71.9469 PRESSAVG: 4023800 -6.13298 38.171 2.30505 38.1711 1.21912 -15.4561 2.30518 -15.4561 8.28876 GPRESSAVG: 4023800 -6.63165 37.344 2.55856 36.5262 1.62324 -16.0442 2.81693 -15.0765 7.9971 TIMING: 4023800 CPU: 12569.5, 0.00311266/step Wall: 12569.5, 0.00311266/step, 0.84405 hours remaining, 234.464844 MB of memory in use. ENERGY: 4023800 3973.3351 20580.5443 14398.9137 244.2752 -203391.5472 2727.3693 0.0000 0.0000 51876.5936 -109590.5161 298.1355 -161467.1097 -109223.8318 299.0019 143.0371 171.2326 763251.7427 1.1250 0.9962 PRESSURE: 4024000 -116.237 229.803 -30.0645 229.804 -69.0746 -136.454 -30.064 -136.455 226.98 GPRESSURE: 4024000 -99.9294 88.3589 -69.718 152.194 13.2847 -157.116 -91.206 -67.5378 203.279 PRESSAVG: 4024000 -53.3983 19.2196 0.332389 19.2196 42.6579 39.0697 0.332423 39.0697 1.99643 GPRESSAVG: 4024000 -53.8349 17.0731 -0.716109 18.5107 43.2932 38.0895 -1.50183 39.3145 1.65223 TIMING: 4024000 CPU: 12570.1, 0.0031082/step Wall: 12570.1, 0.0031082/step, 0.842668 hours remaining, 234.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4024000 3954.3741 20368.6747 14485.2438 273.5849 -203172.3125 2627.2606 0.0000 0.0000 51888.0512 -109575.1231 298.2013 -161463.1744 -109206.7043 298.3592 13.8896 38.8781 762746.2855 -2.9147 -2.9632 PRESSURE: 4024200 181.959 -234.938 -82.8109 -234.939 118.617 178.799 -82.8109 178.798 -115.7 GPRESSURE: 4024200 179.367 -286.761 -125.55 -267.421 187.038 148.562 -132.678 69.0661 -100.379 PRESSAVG: 4024200 26.1971 10.443 -43.4531 10.4429 -13.7803 5.34775 -43.4531 5.34777 2.2232 GPRESSAVG: 4024200 26.1039 12.6417 -43.0001 12.3361 -14.2545 7.31837 -43.8037 5.30663 3.06579 TIMING: 4024200 CPU: 12570.7, 0.00312079/step Wall: 12570.7, 0.00312079/step, 0.845908 hours remaining, 234.464844 MB of memory in use. ENERGY: 4024200 3985.0377 20435.7594 14423.2618 245.3252 -203021.5660 2589.5064 0.0000 0.0000 51985.6335 -109357.0420 298.7622 -161342.6755 -108995.3462 298.8168 61.6252 88.6754 764375.1290 4.8800 4.9717 LDB: ============= START OF LOAD BALANCING ============== 12583.2 LDB: ============== END OF LOAD BALANCING =============== 12583.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12583.2 LDB: ============= START OF LOAD BALANCING ============== 12583.5 LDB: Largest compute 7048 load 0.029924 is 15.3% of average load 0.195185 LDB: Average compute 0.004403 is 2.3% of average load 0.195185 LDB: TIME 12583.5 LOAD: AVG 0.195185 MAX 0.213919 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.832 MB LDB: TIME 12583.5 LOAD: AVG 0.195185 MAX 0.213919 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.035 MB LDB: TIME 12583.5 LOAD: AVG 0.195185 MAX 0.213919 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.035 MB LDB: ============== END OF LOAD BALANCING =============== 12583.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12583.5 PRESSURE: 4024400 12.3329 111.796 -16.3996 111.796 -100.302 -257.408 -16.3997 -257.409 6.45538 GPRESSURE: 4024400 41.4097 56.2528 -15.5953 148.79 -50.1184 -317.434 -64.755 -295.796 30.0497 PRESSAVG: 4024400 -38.7056 -6.44756 8.6756 -6.44758 15.364 -66.1113 8.67564 -66.1113 12.4211 GPRESSAVG: 4024400 -38.8089 -5.66037 7.80093 -6.80703 16.0773 -67.8309 11.0586 -63.2514 12.2345 TIMING: 4024400 CPU: 12571.4, 0.00317223/step Wall: 12571.4, 0.00317223/step, 0.859675 hours remaining, 234.261719 MB of memory in use. ENERGY: 4024400 3967.8158 20479.8142 14490.5651 236.9294 -203509.9128 2877.3651 0.0000 0.0000 51989.7028 -109467.7205 298.7855 -161457.4232 -109111.3408 298.6187 -27.1712 7.1136 761930.8990 -3.6402 -3.4990 PRESSURE: 4024600 -12.9125 -69.7171 -35.3338 -69.7162 9.68558 -189.941 -35.3342 -189.941 236.653 GPRESSURE: 4024600 50.9323 -19.5799 -44.2433 -74.8545 39.128 -128.83 -63.0073 -120.411 244.627 PRESSAVG: 4024600 29.3626 63.3193 24.6084 63.3193 -62.1504 -37.4161 24.6084 -37.416 5.72626 GPRESSAVG: 4024600 29.7262 63.2135 23.4306 61.976 -62.2169 -36.3763 23.0752 -41.2506 5.59131 TIMING: 4024600 CPU: 12572, 0.00310191/step Wall: 12572, 0.00310191/step, 0.840446 hours remaining, 234.664062 MB of memory in use. ENERGY: 4024600 3986.8569 20483.6594 14446.2942 235.7617 -203508.0838 2758.3053 0.0000 0.0000 52062.6665 -109534.5399 299.2049 -161597.2063 -109168.4627 299.0668 77.8086 111.5625 762177.9761 -9.0205 -8.9665 PRESSURE: 4024800 73.2407 14.3629 199.596 14.3634 -212.56 156.212 199.596 156.21 392.692 GPRESSURE: 4024800 111.99 151.678 275.851 -17.5535 -145.133 151.727 213.258 67.2733 374.187 PRESSAVG: 4024800 -53.226 -4.14781 31.9381 -4.14776 33.4707 3.48712 31.9381 3.48718 -20.8267 GPRESSAVG: 4024800 -53.0736 -6.26417 32.8727 -1.90478 33.5216 4.49979 29.8884 1.8454 -20.9727 TIMING: 4024800 CPU: 12572.6, 0.00312824/step Wall: 12572.6, 0.00312824/step, 0.847404 hours remaining, 234.664062 MB of memory in use. ENERGY: 4024800 3972.9659 20502.6403 14485.9803 253.5895 -203978.8682 3088.2802 0.0000 0.0000 52146.7803 -109528.6317 299.6883 -161675.4120 -109169.5601 298.5195 84.4575 113.6812 761391.5542 -13.5273 -13.5082 PRESSURE: 4025000 108.492 -140.733 -112.508 -140.734 198.913 -100.641 -112.508 -100.64 -3.49381 GPRESSURE: 4025000 155.869 -221.381 -140.949 -145.358 293.918 -108.05 55.8138 -6.88424 -49.4122 PRESSAVG: 4025000 -11.4592 -9.53785 -15.2525 -9.53788 8.30319 -17.8345 -15.2524 -17.8345 -2.12741 GPRESSAVG: 4025000 -11.5623 -8.75648 -14.3569 -9.67455 9.5481 -19.9984 -12.802 -16.9816 -2.74962 TIMING: 4025000 CPU: 12573.2, 0.00312219/step Wall: 12573.2, 0.00312218/step, 0.845592 hours remaining, 234.664062 MB of memory in use. ENERGY: 4025000 4007.2599 20342.3572 14485.1806 238.9318 -203592.5682 2677.9082 0.0000 0.0000 52285.0974 -109555.8331 300.4832 -161840.9305 -109182.0711 298.8705 101.3037 133.4583 761073.4831 -1.7611 -1.5880 PRESSURE: 4025200 231.816 130.876 -359.088 130.876 -159.413 132.847 -359.088 132.846 157.546 GPRESSURE: 4025200 205.412 66.9264 -361.937 23.1672 -115.07 138.272 -346.288 153.674 236.798 PRESSAVG: 4025200 -32.0351 30.9827 -38.2348 30.9826 32.5416 29.9986 -38.2349 29.9986 2.79463 GPRESSAVG: 4025200 -33.2876 28.6462 -37.5842 30.5367 31.8742 30.663 -39.5467 31.6911 4.86356 TIMING: 4025200 CPU: 12573.9, 0.00311254/step Wall: 12573.9, 0.00311254/step, 0.842808 hours remaining, 234.664062 MB of memory in use. ENERGY: 4025200 3957.0241 20452.5120 14420.4215 253.1933 -203597.2279 2676.3375 0.0000 0.0000 52069.9692 -109767.7703 299.2468 -161837.7395 -109402.2665 298.6959 76.6498 109.0466 762367.5310 1.1004 1.1500 PRESSURE: 4025400 -447.962 22.4101 93.389 22.4115 114.547 -167.324 93.3896 -167.325 -656.364 GPRESSURE: 4025400 -329.878 45.0139 100.844 -22.4244 90.9904 -134.334 134.17 -46.4783 -663.643 PRESSAVG: 4025400 -24.7747 -2.26468 12.1824 -2.26468 44.0707 -14.8246 12.1824 -14.8247 9.59141 GPRESSAVG: 4025400 -22.6106 -0.0510742 9.80137 -2.70209 42.2649 -15.2473 13.6263 -15.8233 8.66144 TIMING: 4025400 CPU: 12574.5, 0.00310305/step Wall: 12574.5, 0.00310305/step, 0.840064 hours remaining, 234.664062 MB of memory in use. ENERGY: 4025400 4006.7381 20484.5451 14407.6092 240.3855 -203425.5902 2371.9262 0.0000 0.0000 52052.9933 -109861.3928 299.1493 -161914.3861 -109495.7996 298.1116 -329.9260 -300.8435 762606.7826 9.6291 9.4386 PRESSURE: 4025600 11.9232 37.6007 97.9811 37.6002 108.609 -437.073 97.981 -437.074 164.734 GPRESSURE: 4025600 58.5305 -132.644 97.6663 70.1282 101.098 -414.771 125.87 -388.293 210.735 PRESSAVG: 4025600 7.13968 19.7917 -5.07679 19.7916 14.7712 -32.3546 -5.07677 -32.3546 -19.8865 GPRESSAVG: 4025600 6.56593 19.3028 -5.07108 20.6891 15.4977 -32.3727 -3.24957 -30.4924 -19.4993 TIMING: 4025600 CPU: 12575.1, 0.00311704/step Wall: 12575.1, 0.00311704/step, 0.843678 hours remaining, 234.664062 MB of memory in use. ENERGY: 4025600 3950.7541 20494.8617 14580.9485 253.3772 -203635.9534 2867.9684 0.0000 0.0000 51912.0365 -109576.0068 298.3392 -161488.0433 -109214.7204 298.4111 95.0887 123.4545 761543.1622 0.6748 0.8548 PRESSURE: 4025800 37.6005 -47.5642 -49.4641 -47.5641 -73.5161 -35.1915 -49.4647 -35.1903 250.203 GPRESSURE: 4025800 123.358 -36.6258 -193.521 -55.2058 -77.3932 26.4069 -15.156 -104.153 256.881 PRESSAVG: 4025800 -15.8506 -9.47785 -13.5679 -9.4778 50.9321 -35.4074 -13.5678 -35.4074 17.3213 GPRESSAVG: 4025800 -16.4209 -8.97573 -12.6068 -9.26994 52.3466 -33.963 -15.7816 -36.7513 16.7227 TIMING: 4025800 CPU: 12575.7, 0.00312074/step Wall: 12575.7, 0.00312074/step, 0.844507 hours remaining, 234.664062 MB of memory in use. ENERGY: 4025800 3921.3684 20540.1558 14486.5617 257.3678 -203646.5256 2811.2506 0.0000 0.0000 52064.6229 -109565.1983 299.2161 -161629.8212 -109206.2628 299.3406 71.4291 100.9486 760676.1335 17.4676 17.5495 PRESSURE: 4026000 301.394 -19.9223 97.1068 -19.9236 277.725 -49.9287 97.1065 -49.9288 271.509 GPRESSURE: 4026000 318.332 43.3571 87.3291 95.4994 278.747 -131.849 -50.3525 -27.4122 331.659 PRESSAVG: 4026000 -46.6889 44.0197 53.9511 44.0196 -26.0812 16.3198 53.9511 16.3199 -10.7856 GPRESSAVG: 4026000 -46.7737 44.1906 52.8315 43.4275 -26.5398 13.5072 52.5081 14.8862 -10.4745 TIMING: 4026000 CPU: 12576.4, 0.00310658/step Wall: 12576.4, 0.00310658/step, 0.840503 hours remaining, 234.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4026000 3884.9644 20606.2300 14419.1662 257.1153 -203838.9565 3013.7011 0.0000 0.0000 52062.3275 -109595.4520 299.2029 -161657.7795 -109225.1355 298.8527 283.5430 309.5796 763051.1115 -27.8519 -27.9293 PRESSURE: 4026200 -65.4988 202.482 167.077 202.481 66.9556 107.743 167.076 107.743 -142.714 GPRESSURE: 4026200 -12.7624 132.184 154.29 224.733 90.3124 46.9797 131.635 107.229 -131.53 PRESSAVG: 4026200 -19.1396 34.2209 11.0325 34.221 20.2717 -66.7905 11.0325 -66.7905 -13.3098 GPRESSAVG: 4026200 -18.6058 35.3637 13.1198 33.3525 20.7065 -64.7731 10.6052 -64.9491 -13.7047 TIMING: 4026200 CPU: 12577, 0.00311018/step Wall: 12577, 0.00311018/step, 0.841303 hours remaining, 234.652344 MB of memory in use. ENERGY: 4026200 4004.1485 20581.9104 14414.4046 231.5318 -203700.3223 2782.4590 0.0000 0.0000 51986.0035 -109699.8645 298.7643 -161685.8680 -109340.4791 298.5041 -47.0857 -17.9934 762540.1712 -4.0592 -3.8680 PRESSURE: 4026400 -88.9299 125.166 23.9003 125.166 149.354 -5.7587 23.9 -5.75823 -154.855 GPRESSURE: 4026400 -44.1179 68.8618 36.1587 109.22 171.057 -28.3937 185.1 -30.8343 -129.589 PRESSAVG: 4026400 -77.8509 -40.1728 -13.6972 -40.1728 20.1004 -24.4091 -13.6972 -24.4091 -6.39488 GPRESSAVG: 4026400 -76.9825 -43.1145 -15.081 -39.4126 19.0994 -25.2546 -11.7118 -24.4354 -5.95254 TIMING: 4026400 CPU: 12577.6, 0.00312054/step Wall: 12577.6, 0.00312054/step, 0.843931 hours remaining, 234.652344 MB of memory in use. ENERGY: 4026400 4047.3326 20618.3298 14441.7247 234.8385 -203495.5368 2672.5818 0.0000 0.0000 52118.5457 -109362.1836 299.5260 -161480.7293 -108996.9223 298.9941 -31.4767 -0.8832 761842.7074 -21.3818 -21.2786 PRESSURE: 4026600 1.79838 139.306 -93.4962 139.306 -119.642 239.902 -93.4969 239.903 171.244 GPRESSURE: 4026600 57.7218 59.2815 -27.0048 138.037 -48.9484 130.974 99.9889 267.977 145.619 PRESSAVG: 4026600 -82.9501 17.1446 -8.83835 17.1445 -1.59688 50.1023 -8.83839 50.1023 -5.09507 GPRESSAVG: 4026600 -85.1852 15.3066 -7.82743 17.1932 -0.642348 47.385 -7.38072 50.27 -4.17214 TIMING: 4026600 CPU: 12578.2, 0.00309912/step Wall: 12578.2, 0.00309912/step, 0.837968 hours remaining, 234.652344 MB of memory in use. ENERGY: 4026600 3980.5946 20662.0331 14458.5146 243.0373 -203757.1567 2771.8932 0.0000 0.0000 52313.4948 -109327.5892 300.6464 -161641.0840 -108956.9045 299.3072 17.8001 51.4642 760435.5418 -29.8807 -29.9999 PRESSURE: 4026800 229.238 230.744 92.9929 230.744 -18.064 97.7479 92.9931 97.7486 -185.658 GPRESSURE: 4026800 191.628 282.886 0.174706 143.478 1.09313 87.0044 28.1844 104.639 -78.6585 PRESSAVG: 4026800 -13.7895 48.4423 70.3287 48.4424 8.11734 20.147 70.3288 20.1471 5.24913 GPRESSAVG: 4026800 -12.7496 52.7861 69.9282 44.1975 8.30855 23.662 67.5686 19.4912 4.85128 TIMING: 4026800 CPU: 12578.8, 0.00311167/step Wall: 12578.8, 0.00311167/step, 0.841187 hours remaining, 234.652344 MB of memory in use. ENERGY: 4026800 3992.6884 20554.9167 14544.8499 250.2876 -203501.5833 2648.1604 0.0000 0.0000 52143.4711 -109367.2092 299.6692 -161510.6803 -109007.4171 299.9038 8.5054 38.0210 761664.5522 -0.1410 0.1367 PRESSURE: 4027000 -3.83784 27.659 -130.194 27.6591 239.069 75.8656 -130.194 75.8657 -311.521 GPRESSURE: 4027000 100.315 -72.1988 -105.494 -31.9438 224.044 95.8298 -33.5976 156.716 -320.566 PRESSAVG: 4027000 48.8897 47.1932 20.5823 47.1932 13.5013 47.9257 20.5823 47.9257 -12.4717 GPRESSAVG: 4027000 48.8867 47.272 20.2176 50.9168 13.2578 46.6078 22.1985 49.1518 -12.0823 TIMING: 4027000 CPU: 12579.5, 0.00311149/step Wall: 12579.5, 0.00311149/step, 0.840965 hours remaining, 234.652344 MB of memory in use. ENERGY: 4027000 4008.1029 20532.3058 14558.6513 237.4749 -204168.4167 3086.0349 0.0000 0.0000 52444.0579 -109301.7890 301.3967 -161745.8470 -108934.8160 299.5377 -25.4301 1.2646 762037.9970 16.6398 16.6874 PRESSURE: 4027200 -69.7116 6.72413 -16.5651 6.72492 -129.355 12.4774 -16.5639 12.4785 199.482 GPRESSURE: 4027200 23.4309 17.0819 -3.7623 -133.707 -92.616 -34.9947 46.2965 14.7218 145.166 PRESSAVG: 4027200 36.2461 7.93101 -33.1977 7.93101 -22.2885 35.6923 -33.1977 35.6923 -4.00073 GPRESSAVG: 4027200 37.3614 7.37237 -32.277 7.42916 -22.3777 35.8219 -34.2902 35.2633 -4.12042 TIMING: 4027200 CPU: 12580.1, 0.00309267/step Wall: 12580.1, 0.00309267/step, 0.835708 hours remaining, 234.652344 MB of memory in use. ENERGY: 4027200 4011.9339 20409.0209 14490.4471 261.8474 -203449.6810 2743.3060 0.0000 0.0000 52132.2502 -109400.8756 299.6048 -161533.1258 -109041.3955 299.2238 0.1383 25.3268 763650.3780 3.3190 3.6211 PRESSURE: 4027400 -222.867 162.786 -45.6527 162.786 -280.78 74.1282 -45.6528 74.1295 -186.941 GPRESSURE: 4027400 -214.291 139.674 -94.7629 100.314 -184.827 62.723 -38.4326 -11.4681 -210.167 PRESSAVG: 4027400 13.0883 13.6874 8.96103 13.6874 -31.8067 40.693 8.96097 40.693 3.92801 GPRESSAVG: 4027400 12.9489 13.4159 8.65622 13.8604 -31.3353 41.2885 8.41615 38.8933 3.52377 TIMING: 4027400 CPU: 12580.7, 0.00311107/step Wall: 12580.7, 0.00311107/step, 0.840507 hours remaining, 234.652344 MB of memory in use. ENERGY: 4027400 4083.0457 20514.3799 14465.2097 254.5597 -203446.6466 2724.6572 0.0000 0.0000 51876.2340 -109528.5604 298.1334 -161404.7944 -109174.1484 299.2134 -230.1958 -203.0953 763498.7301 -4.9301 -4.9542 PRESSURE: 4027600 -247.515 18.3284 -87.0732 18.3288 -115.906 -13.8485 -87.0731 -13.848 24.5768 GPRESSURE: 4027600 -186.877 51.1299 -246.593 -3.23298 -94.4898 -80.8246 -104.921 29.6404 25.0666 PRESSAVG: 4027600 18.2724 9.39503 -41.9465 9.39514 -46.162 22.7116 -41.9465 22.7115 11.7425 GPRESSAVG: 4027600 18.1435 10.1827 -42.9314 9.22776 -46.0536 23.256 -40.1491 23.722 11.4951 TIMING: 4027600 CPU: 12581.3, 0.00311728/step Wall: 12581.3, 0.00311728/step, 0.842013 hours remaining, 234.664062 MB of memory in use. ENERGY: 4027600 4152.7132 20626.3565 14411.5185 245.9080 -203588.9403 2689.0141 0.0000 0.0000 51895.6366 -109567.7932 298.2449 -161463.4299 -109213.8246 298.8660 -112.9482 -85.4335 762580.4710 -5.3824 -5.4717 PRESSURE: 4027800 119.238 -60.893 -105.475 -60.8928 62.5046 -291.404 -105.475 -291.404 224.504 GPRESSURE: 4027800 158.845 69.6356 -233.721 -41.5249 99.1596 -217.868 -35.2619 -301.487 230.353 PRESSAVG: 4027800 29.2695 -73.9314 14.653 -73.9313 -12.5976 -9.89913 14.653 -9.89921 3.67801 GPRESSAVG: 4027800 27.7101 -73.6042 15.2893 -72.7037 -12.7627 -9.24253 14.147 -8.42667 5.20975 TIMING: 4027800 CPU: 12582, 0.00311251/step Wall: 12582, 0.00311251/step, 0.840551 hours remaining, 234.664062 MB of memory in use. ENERGY: 4027800 4013.8262 20539.0000 14420.1530 252.6915 -203709.5293 2811.6416 0.0000 0.0000 51876.4058 -109795.8114 298.1344 -161672.2171 -109424.8564 298.4841 135.4157 162.7858 760690.6283 6.7833 6.7190 PRESSURE: 4028000 -62.8446 143.018 149.208 143.018 -166.811 -183.831 149.209 -183.831 -254.649 GPRESSURE: 4028000 -7.12893 130.123 144.426 117.44 -52.5388 -153.721 124.721 -216.913 -332.871 PRESSAVG: 4028000 31.4093 43.0913 36.3132 43.0912 -11.5485 -42.0913 36.3132 -42.0913 -12.3896 GPRESSAVG: 4028000 33.4021 41.3899 36.1566 43.6646 -12.6588 -41.8261 36.8756 -43.1712 -13.6145 TIMING: 4028000 CPU: 12582.6, 0.00311647/step Wall: 12582.6, 0.00311647/step, 0.841447 hours remaining, 234.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4028000 3974.9183 20361.0129 14394.7096 239.6620 -203637.0836 2766.9324 0.0000 0.0000 52095.2835 -109804.5649 299.3923 -161899.8483 -109447.6118 298.4285 -161.4349 -130.8464 760588.6084 2.4904 2.3762 PRESSURE: 4028200 -21.9588 11.6479 -171.709 11.6479 -232.662 47.45 -171.709 47.4503 -249.338 GPRESSURE: 4028200 14.0172 -12.4189 -217.826 21.0442 -195.426 44.86 -115.443 58.4919 -234.323 PRESSAVG: 4028200 69.6652 44.6529 38.3356 44.6529 -42.6115 -53.9606 38.3356 -53.9606 -4.54598 GPRESSAVG: 4028200 68.0487 46.3219 38.5898 44.1094 -40.1955 -55.0406 37.4657 -57.439 -4.37925 TIMING: 4028200 CPU: 12583.2, 0.00310168/step Wall: 12583.2, 0.00310168/step, 0.837281 hours remaining, 234.652344 MB of memory in use. ENERGY: 4028200 4004.5405 20450.8939 14522.4838 251.6290 -203030.3046 2265.4150 0.0000 0.0000 51774.8472 -109760.4951 297.5508 -161535.3423 -109416.2293 298.2976 -167.9863 -138.5773 760990.8467 7.5026 7.8247 LDB: ============= START OF LOAD BALANCING ============== 12595.7 LDB: ============== END OF LOAD BALANCING =============== 12595.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12595.7 LDB: ============= START OF LOAD BALANCING ============== 12596 LDB: Largest compute 7048 load 0.028973 is 14.8% of average load 0.195333 LDB: Average compute 0.004369 is 2.2% of average load 0.195333 LDB: TIME 12596 LOAD: AVG 0.195333 MAX 0.215639 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.52 MB LDB: TIME 12596 LOAD: AVG 0.195333 MAX 0.215639 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.52 MB LDB: TIME 12596 LOAD: AVG 0.195333 MAX 0.215639 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.52 MB LDB: ============== END OF LOAD BALANCING =============== 12596 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12596 PRESSURE: 4028400 -299.096 -207.628 13.2056 -207.628 225.046 -119.248 13.2052 -119.247 -180.509 GPRESSURE: 4028400 -110.903 -226.848 -105.438 -178.124 140.791 -178.534 51.7778 -153.423 -204.786 PRESSAVG: 4028400 9.47993 2.47876 14.0957 2.47879 21.633 -10.0702 14.0957 -10.0702 -1.26549 GPRESSAVG: 4028400 11.6205 1.80557 12.8564 2.0278 20.9912 -9.76932 14.6416 -7.55563 -2.566 TIMING: 4028400 CPU: 12583.8, 0.00319765/step Wall: 12583.8, 0.00319765/step, 0.86301 hours remaining, 235.031250 MB of memory in use. ENERGY: 4028400 3997.9937 20273.1825 14486.1080 251.7199 -203353.7481 2683.3851 0.0000 0.0000 51839.7301 -109821.6288 297.9236 -161661.3589 -109460.4674 298.0972 -84.8531 -58.2996 761533.6468 9.9491 10.0152 PRESSURE: 4028600 179.8 6.13083 28.5253 6.13118 -152.919 128.655 28.5258 128.654 -144.285 GPRESSURE: 4028600 140.868 -50.8617 37.2891 -67.3443 -127.39 165.014 -21.7817 183.646 -49.44 PRESSAVG: 4028600 10.4998 6.25218 0.903944 6.25222 10.1665 22.6213 0.903943 22.6212 -28.7916 GPRESSAVG: 4028600 8.16175 5.97826 0.843383 4.31252 10.9211 23.2609 0.279779 21.1282 -27.3943 TIMING: 4028600 CPU: 12584.5, 0.00312767/step Wall: 12584.5, 0.00312767/step, 0.84395 hours remaining, 235.289062 MB of memory in use. ENERGY: 4028600 4026.0371 20394.6280 14483.7770 255.9786 -203093.8560 2305.8993 0.0000 0.0000 51909.0954 -109718.4405 298.3223 -161627.5359 -109357.0936 298.0487 -39.1348 -11.9874 761749.3976 -2.7084 -2.7705 PRESSURE: 4028800 -95.6307 41.8051 37.7145 41.8055 -73.1779 54.7773 37.7142 54.7777 164.501 GPRESSURE: 4028800 -52.4774 33.9809 47.1891 66.4517 -59.787 123.548 -35.2002 18.4006 197.055 PRESSAVG: 4028800 0.756874 25.9615 29.9669 25.9615 15.3031 4.46463 29.9669 4.46465 20.8357 GPRESSAVG: 4028800 1.69698 26.1332 30.4887 26.5993 14.2816 3.97797 33.3821 5.96871 21.2582 TIMING: 4028800 CPU: 12585.1, 0.00310708/step Wall: 12585.1, 0.00310708/step, 0.838222 hours remaining, 235.300781 MB of memory in use. ENERGY: 4028800 4002.1389 20568.1714 14449.9990 257.1472 -203774.5696 2839.1189 0.0000 0.0000 51833.1368 -109824.8575 297.8857 -161657.9943 -109464.7375 298.4164 -1.4357 28.2637 760329.2862 12.2986 12.4123 PRESSURE: 4029000 -252.711 29.9916 -69.9917 29.991 78.4632 41.2549 -69.9913 41.2553 -158.15 GPRESSURE: 4029000 -211.541 -52.7866 -81.8123 73.3074 87.5215 -38.6254 -88.5777 96.0887 -126.697 PRESSAVG: 4029000 75.829 41.2081 34.1287 41.208 -31.7509 43.9973 34.1286 43.9973 5.98847 GPRESSAVG: 4029000 75.3895 41.4027 35.0137 41.2049 -31.0462 44.6118 31.6896 44.1759 6.09051 TIMING: 4029000 CPU: 12585.7, 0.00311355/step Wall: 12585.7, 0.00311355/step, 0.839793 hours remaining, 235.300781 MB of memory in use. ENERGY: 4029000 3997.2822 20337.9826 14533.1620 260.3872 -203593.9441 2721.1279 0.0000 0.0000 51918.4466 -109825.5556 298.3760 -161744.0023 -109459.1192 297.9625 -110.7994 -83.5722 761360.7057 16.6889 16.8113 PRESSURE: 4029200 -149.668 64.959 -94.3569 64.9586 131.402 65.0356 -94.3584 65.0349 -114.275 GPRESSURE: 4029200 -166.327 -14.1848 -89.8659 125.112 114.295 108.603 -157.257 -95.5318 2.97185 PRESSAVG: 4029200 49.9995 2.54717 -33.3539 2.54717 -44.8096 15.483 -33.3539 15.483 -5.79621 GPRESSAVG: 4029200 50.362 2.23205 -34.104 1.90439 -45.3834 14.0354 -32.869 15.1375 -6.05034 TIMING: 4029200 CPU: 12586.3, 0.00310478/step Wall: 12586.3, 0.00310478/step, 0.837257 hours remaining, 235.300781 MB of memory in use. ENERGY: 4029200 3997.7908 20408.7521 14482.0067 242.6175 -203548.6478 2557.6299 0.0000 0.0000 51959.8276 -109900.0233 298.6138 -161859.8509 -109549.6387 298.4594 -44.1800 -16.3531 760651.7874 -0.2021 -0.3572 PRESSURE: 4029400 -247.228 -197.805 81.6627 -197.804 -23.8635 46.9412 81.6623 46.942 146.282 GPRESSURE: 4029400 -113.663 -182.884 96.5236 -256.075 -9.28208 37.0707 5.32787 46.793 93.1312 PRESSAVG: 4029400 -37.1516 -21.8537 34.9077 -21.8537 -3.44375 -44.489 34.9077 -44.489 -9.9375 GPRESSAVG: 4029400 -36.9332 -22.0979 34.5986 -22.2622 -3.14743 -43.265 34.7029 -44.5814 -9.73106 TIMING: 4029400 CPU: 12587, 0.00310016/step Wall: 12587, 0.00310016/step, 0.835837 hours remaining, 235.300781 MB of memory in use. ENERGY: 4029400 3922.9685 20479.9295 14492.2714 256.9981 -203294.0444 2430.2448 0.0000 0.0000 51874.9231 -109836.7091 298.1259 -161711.6322 -109467.3946 298.2147 -41.6031 -9.9379 762267.1022 -16.8443 -16.6039 PRESSURE: 4029600 213.624 177.469 51.6945 177.469 -49.7838 -279.857 51.6947 -279.857 396.38 GPRESSURE: 4029600 202.492 258.892 14.3534 114.756 84.5408 -322.279 64.3977 -202.411 352.2 PRESSAVG: 4029600 58.3878 -29.0306 34.311 -29.0306 -27.7249 -30.6029 34.311 -30.6029 10.7348 GPRESSAVG: 4029600 57.9547 -29.3382 33.3792 -27.8305 -27.6615 -32.0769 33.2615 -29.8587 10.6132 TIMING: 4029600 CPU: 12587.6, 0.00309754/step Wall: 12587.6, 0.00309754/step, 0.834959 hours remaining, 235.289062 MB of memory in use. ENERGY: 4029600 4058.5236 20693.8505 14457.1765 233.5102 -204021.6198 2841.8635 0.0000 0.0000 51894.0796 -109842.6159 298.2360 -161736.6955 -109493.2009 298.1969 186.7401 213.0778 759649.1865 13.7992 13.6355 PRESSURE: 4029800 -152.152 45.6201 -230.038 45.6193 9.32276 -343.163 -230.039 -343.163 36.8485 GPRESSURE: 4029800 -51.9415 19.2663 -169.757 -4.65459 -8.60037 -275.887 -213.865 -211.799 39.1467 PRESSAVG: 4029800 0.577764 -29.7372 -0.222221 -29.7372 -14.1092 -8.25673 -0.222255 -8.25676 4.90076 GPRESSAVG: 4029800 0.0427787 -28.4477 1.15442 -29.5537 -14.0705 -6.21926 1.36502 -9.64177 5.59713 TIMING: 4029800 CPU: 12588.2, 0.00308865/step Wall: 12588.2, 0.00308865/step, 0.832392 hours remaining, 235.289062 MB of memory in use. ENERGY: 4029800 4056.3359 20587.4772 14374.9750 258.5337 -203572.7544 2670.5389 0.0000 0.0000 52020.5463 -109604.3474 298.9628 -161624.8937 -109245.0504 298.3842 -35.3270 -7.1317 760918.1967 -2.8769 -2.8102 PRESSURE: 4030000 -21.4141 34.4841 -153.947 34.4841 -331.183 28.5582 -153.947 28.5592 -206.711 GPRESSURE: 4030000 -21.6053 -54.6856 -78.964 -134.936 -224.799 76.8727 -101.359 -102.2 -226.421 PRESSAVG: 4030000 -9.88924 -38.6391 -5.79256 -38.6391 9.5218 -29.8224 -5.79249 -29.8224 -5.07432 GPRESSAVG: 4030000 -9.32517 -38.8818 -4.3734 -39.1424 9.57042 -29.2617 -5.51553 -30.5967 -5.98027 TIMING: 4030000 CPU: 12588.8, 0.00310401/step Wall: 12588.8, 0.00310401/step, 0.836358 hours remaining, 235.289062 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: 4030000 4060.8297 20425.9293 14401.1724 239.2220 -203163.6603 2424.3643 0.0000 0.0000 52089.8312 -109522.3114 299.3610 -161612.1426 -109158.0418 298.6629 -186.4359 -157.6084 761281.3660 -1.8139 -1.9117 PRESSURE: 4030200 173.29 81.0529 -96.6337 81.0531 286.885 5.58903 -96.6339 5.58824 -192.054 GPRESSURE: 4030200 117.604 55.7199 -28.3269 107.252 357.059 -31.4021 -163.066 -25.7622 -122.724 PRESSAVG: 4030200 19.79 -3.92485 -46.9471 -3.9248 70.5397 -24.0415 -46.9472 -24.0414 -27.5221 GPRESSAVG: 4030200 20.1555 -4.47293 -48.1381 -2.12733 70.1176 -26.2213 -48.9416 -21.3927 -27.1653 TIMING: 4030200 CPU: 12589.4, 0.00312789/step Wall: 12589.4, 0.00312789/step, 0.842618 hours remaining, 235.289062 MB of memory in use. ENERGY: 4030200 3870.7618 20596.1939 14476.9583 238.4370 -202904.5967 2325.6073 0.0000 0.0000 51783.1589 -109613.4794 297.5985 -161396.6384 -109256.8377 298.6579 89.3735 117.3127 759802.0620 20.9359 21.0359 PRESSURE: 4030400 -205.801 208.719 18.7845 208.719 -34.4938 134.033 18.7847 134.033 61.4056 GPRESSURE: 4030400 -123.652 268.142 183.03 171.701 -1.9638 173.666 48.0422 161.477 35.9065 PRESSAVG: 4030400 -7.52439 36.2304 57.0027 36.2304 -17.5629 39.6369 57.0027 39.6369 0.934752 GPRESSAVG: 4030400 -8.59021 33.1361 58.0551 35.4889 -17.7289 40.3509 57.2567 39.4839 2.34412 TIMING: 4030400 CPU: 12590.1, 0.0031205/step Wall: 12590.1, 0.00312051/step, 0.840456 hours remaining, 235.300781 MB of memory in use. ENERGY: 4030400 4064.0833 20583.7881 14490.1024 244.2277 -203137.3218 2412.9558 0.0000 0.0000 52010.1468 -109332.0176 298.9030 -161342.1644 -108982.8719 298.8264 -59.6296 -29.9029 761691.9007 -8.0509 -7.9917 PRESSURE: 4030600 -144.833 62.3486 51.5627 62.3488 -145.856 -4.55438 51.5635 -4.55404 -510.997 GPRESSURE: 4030600 -74.2298 90.4346 97.085 140.497 -174.086 40.3333 -37.1869 -68.8628 -470.663 PRESSAVG: 4030600 -0.692675 45.3765 32.6001 45.3765 -0.964762 4.91977 32.6001 4.91982 -1.03967 GPRESSAVG: 4030600 -0.311034 48.529 31.3985 45.2069 -2.0488 5.31306 35.2268 4.15878 -0.987543 TIMING: 4030600 CPU: 12590.7, 0.00310655/step Wall: 12590.7, 0.00310655/step, 0.836526 hours remaining, 235.300781 MB of memory in use. ENERGY: 4030600 4052.5271 20299.2350 14490.4796 248.6413 -203648.4334 2780.5581 0.0000 0.0000 52205.3919 -109571.6004 300.0251 -161776.9924 -109200.1696 299.2385 -267.2286 -239.6594 762245.4997 -0.8990 -1.1158 PRESSURE: 4030800 -36.1318 180.932 -41.7851 180.932 -109.887 -345.688 -41.7847 -345.689 -201.322 GPRESSURE: 4030800 7.70705 170.202 -59.0795 177.751 -115.398 -270.132 -267.549 -327.975 -158.755 PRESSAVG: 4030800 -56.1256 17.485 14.1878 17.485 -6.37195 21.9214 14.1878 21.9214 5.98879 GPRESSAVG: 4030800 -55.8792 16.5644 14.9832 17.7359 -5.55455 22.6171 10.0486 19.2687 5.03742 TIMING: 4030800 CPU: 12591.3, 0.00311424/step Wall: 12591.3, 0.00311424/step, 0.838424 hours remaining, 235.300781 MB of memory in use. ENERGY: 4030800 4019.1386 20544.3186 14435.2094 241.5407 -203685.8743 2905.5658 0.0000 0.0000 52126.5825 -109413.5186 299.5722 -161540.1011 -109055.4725 299.1403 -115.7803 -88.8155 761200.3071 -18.8363 -18.7988 PRESSURE: 4031000 -99.6741 27.5456 111.702 27.5456 -78.0637 72.3539 111.703 72.3549 -63.5693 GPRESSURE: 4031000 -143.729 -88.9302 165.552 33.8159 -12.0234 87.5844 -30.8364 70.5605 -12.1906 PRESSAVG: 4031000 19.5621 57.2227 -13.9273 57.2226 -5.62093 -43.2323 -13.9272 -43.2323 -10.0413 GPRESSAVG: 4031000 19.729 57.7782 -14.6361 56.3702 -5.23071 -43.6548 -12.4431 -41.073 -9.78328 TIMING: 4031000 CPU: 12591.9, 0.00309371/step Wall: 12591.9, 0.00309371/step, 0.832725 hours remaining, 235.300781 MB of memory in use. ENERGY: 4031000 3978.6876 20426.6472 14430.9316 248.8049 -203286.2103 2648.3998 0.0000 0.0000 52119.9575 -109432.7819 299.5341 -161552.7393 -109068.1446 299.0174 -80.4357 -55.9809 761118.1038 1.3000 1.5717 PRESSURE: 4031200 -4.07338 77.164 -138.844 77.1636 -423.603 88.257 -138.844 88.258 11.3024 GPRESSURE: 4031200 -74.7229 77.2723 -101.657 28.4298 -309.742 127.88 -179.875 66.0302 51.487 PRESSAVG: 4031200 34.7294 -31.8046 -22.3193 -31.8046 1.75752 24.649 -22.3193 24.6491 8.98777 GPRESSAVG: 4031200 34.1005 -31.7627 -20.6027 -33.3861 0.825785 24.4411 -20.3184 25.2362 10.1266 TIMING: 4031200 CPU: 12592.5, 0.00312016/step Wall: 12592.5, 0.00312016/step, 0.83967 hours remaining, 235.300781 MB of memory in use. ENERGY: 4031200 4070.0169 20357.2841 14470.8001 235.6214 -203447.6897 2738.1574 0.0000 0.0000 51989.7808 -109586.0290 298.7860 -161575.8098 -109228.2358 298.6507 -138.7914 -110.9925 762272.1637 15.1582 15.0176 PRESSURE: 4031400 184.734 -66.4358 -67.7362 -66.4353 -193.384 -33.1632 -67.7371 -33.1621 -230.258 GPRESSURE: 4031400 132.269 -125.606 -197.988 -26.4518 -58.8477 -46.2264 51.2288 -170.918 -219.392 PRESSAVG: 4031400 -8.55968 -24.1681 -15.9657 -24.1681 -3.69419 -14.6217 -15.9656 -14.6218 -5.62264 GPRESSAVG: 4031400 -8.52854 -25.3692 -17.0771 -22.0439 -1.72073 -16.266 -16.414 -12.8384 -7.43862 TIMING: 4031400 CPU: 12593.2, 0.00309566/step Wall: 12593.2, 0.00309566/step, 0.832904 hours remaining, 235.300781 MB of memory in use. ENERGY: 4031400 3934.0985 20435.2859 14372.2438 246.5032 -203091.0255 2644.5376 0.0000 0.0000 52065.3630 -109392.9934 299.2204 -161458.3565 -109041.0227 298.8060 -79.6360 -48.6570 763271.6007 -5.9588 -5.8960 PRESSURE: 4031600 286.768 -4.58748 -205.287 -4.58747 465.206 74.1111 -205.287 74.1121 277.441 GPRESSURE: 4031600 361.055 -1.87733 -195.81 -57.0981 397.662 65.3781 -206.654 102.555 352.972 PRESSAVG: 4031600 -17.7056 -35.6722 -7.91967 -35.6722 -3.34291 -41.2976 -7.91972 -41.2975 6.94823 GPRESSAVG: 4031600 -16.4285 -36.2868 -10.2574 -35.5359 -5.50227 -38.9209 -7.97249 -44.4806 8.59774 TIMING: 4031600 CPU: 12593.8, 0.00310846/step Wall: 12593.8, 0.00310846/step, 0.836175 hours remaining, 235.300781 MB of memory in use. ENERGY: 4031600 3862.6436 20485.1746 14423.6491 263.8514 -202954.5289 2478.0410 0.0000 0.0000 51909.0165 -109532.1526 298.3218 -161441.1691 -109180.0446 298.1503 343.1382 370.5629 762797.3983 -4.7001 -4.4443 PRESSURE: 4031800 1.99903 -186.702 185.11 -186.701 6.0468 200.588 185.11 200.588 27.4078 GPRESSURE: 4031800 84.9829 -142.471 198.606 -176.601 10.7476 136.087 224.18 199.098 17.209 PRESSAVG: 4031800 11.2009 -37.2839 25.7909 -37.2838 -1.51762 -38.2593 25.7909 -38.2593 8.23236 GPRESSAVG: 4031800 10.6743 -36.2613 27.2612 -38.5971 -0.0400457 -40.4452 24.3138 -35.0931 6.54274 TIMING: 4031800 CPU: 12594.4, 0.0030978/step Wall: 12594.4, 0.0030978/step, 0.833137 hours remaining, 235.300781 MB of memory in use. ENERGY: 4031800 3970.8234 20408.8079 14475.1330 236.8889 -203397.9436 2754.3199 0.0000 0.0000 52097.8154 -109454.1552 299.4069 -161551.9705 -109090.4991 298.4917 11.8179 37.6465 762203.5106 5.9719 5.7257 PRESSURE: 4032000 -343.427 -266.682 170.248 -266.683 -222.124 -157.346 170.248 -157.346 -65.7241 GPRESSURE: 4032000 -360.492 -278.877 88.8125 -175.841 -137.557 -65.2976 202.989 -49.3461 -39.2508 PRESSAVG: 4032000 -13.054 -48.8408 15.4521 -48.8408 -0.331579 -21.7881 15.4521 -21.788 3.98736 GPRESSAVG: 4032000 -13.1492 -48.2935 13.5557 -49.0196 -1.69614 -20.74 16.5909 -22.5157 5.74504 TIMING: 4032000 CPU: 12595, 0.00311161/step Wall: 12595, 0.00311161/step, 0.836678 hours remaining, 235.300781 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: 4032000 4005.8498 20657.8922 14416.4109 248.6536 -203381.0614 2795.8038 0.0000 0.0000 52071.5377 -109184.9135 299.2558 -161256.4512 -108824.1993 298.9420 -210.4251 -179.0998 761590.1749 -3.1327 -3.0334 PRESSURE: 4032200 -193.498 80.3658 25.5236 80.3654 154.542 61.1785 25.5238 61.1769 -241.851 GPRESSURE: 4032200 -194.88 -46.0681 -11.586 43.2959 209.106 91.6279 75.7983 81.5698 -213.372 PRESSAVG: 4032200 -1.37334 -34.4096 10.5849 -34.4096 45.9252 13.5566 10.5849 13.5565 -1.57581 GPRESSAVG: 4032200 -2.51895 -35.6496 12.0524 -32.5967 47.2312 13.7904 11.8186 13.5272 -2.0447 TIMING: 4032200 CPU: 12595.6, 0.00310692/step Wall: 12595.6, 0.00310692/step, 0.835243 hours remaining, 235.300781 MB of memory in use. ENERGY: 4032200 3942.4207 20555.3967 14552.3203 220.6187 -203083.1047 2474.1264 0.0000 0.0000 52271.2738 -109066.9481 300.4037 -161338.2220 -108695.6321 299.7007 -93.6020 -66.3822 760968.2690 14.3254 14.2225 LDB: ============= START OF LOAD BALANCING ============== 12608.1 LDB: ============== END OF LOAD BALANCING =============== 12608.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12608.1 LDB: ============= START OF LOAD BALANCING ============== 12608.4 LDB: Largest compute 7048 load 0.030035 is 15.4% of average load 0.195220 LDB: Average compute 0.004404 is 2.3% of average load 0.195220 LDB: TIME 12608.4 LOAD: AVG 0.19522 MAX 0.219476 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.75 MB LDB: TIME 12608.4 LOAD: AVG 0.19522 MAX 0.219476 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.828 MB LDB: TIME 12608.4 LOAD: AVG 0.19522 MAX 0.21765 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.828 MB LDB: ============== END OF LOAD BALANCING =============== 12608.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12608.5 PRESSURE: 4032400 347.783 -8.98065 -35.7865 -8.98128 -314.76 -13.2814 -35.7869 -13.282 -76.2208 GPRESSURE: 4032400 204.228 -73.0132 -17.6752 -22.0902 -138.329 43.9979 9.3798 -17.3274 -12.5494 PRESSAVG: 4032400 39.9418 -32.6667 15.5598 -32.6666 -21.0437 8.78201 15.5598 8.78197 5.78444 GPRESSAVG: 4032400 40.7741 -31.9419 17.2409 -33.7219 -21.7344 7.73159 13.1495 7.83009 5.77852 TIMING: 4032400 CPU: 12596.3, 0.00317663/step Wall: 12596.3, 0.00317663/step, 0.853808 hours remaining, 233.750000 MB of memory in use. ENERGY: 4032400 4081.1109 20663.7954 14413.2557 255.4208 -203156.0133 2765.3664 0.0000 0.0000 51843.0069 -109134.0574 297.9425 -160977.0643 -108781.4841 299.8382 -14.3993 17.7833 762763.8393 8.2275 8.2728 PRESSURE: 4032600 -136.292 171.476 25.8558 171.475 -241.684 48.0308 25.8558 48.0307 56.9802 GPRESSURE: 4032600 -137.007 122.25 -23.1562 105.933 -160.181 51.2618 171.173 -33.372 74.9194 PRESSAVG: 4032600 27.0039 -23.2226 -8.95628 -23.2226 -50.8819 -35.3107 -8.95629 -35.3107 34.5225 GPRESSAVG: 4032600 27.001 -23.1456 -11.3144 -23.7294 -51.0744 -34.9601 -7.16429 -34.8322 34.5482 TIMING: 4032600 CPU: 12596.9, 0.00311809/step Wall: 12596.9, 0.00311809/step, 0.837899 hours remaining, 233.949219 MB of memory in use. ENERGY: 4032600 4117.1500 20343.3810 14466.4766 265.2624 -202872.7636 2566.9386 0.0000 0.0000 51920.8685 -109192.6865 298.3899 -161113.5550 -108828.7723 299.1557 -106.9987 -74.0895 762285.8865 3.5482 3.4916 PRESSURE: 4032800 -73.1719 -103.211 62.4926 -103.212 -179.092 158.832 62.4928 158.833 7.12005 GPRESSURE: 4032800 33.636 -130.182 31.6279 -124.364 -153.545 207.997 16.6147 11.9094 -25.0262 PRESSAVG: 4032800 4.38419 -27.4157 -8.97124 -27.4156 -16.7465 -18.9904 -8.97124 -18.9904 -0.137418 GPRESSAVG: 4032800 3.55877 -26.3075 -7.38293 -27.7329 -16.9214 -18.6785 -9.25019 -18.8175 0.767042 TIMING: 4032800 CPU: 12597.5, 0.00310392/step Wall: 12597.5, 0.00310392/step, 0.833921 hours remaining, 233.949219 MB of memory in use. ENERGY: 4032800 4050.0587 20403.8820 14448.9763 241.8518 -202672.9773 2398.5358 0.0000 0.0000 51891.7760 -109237.8967 298.2227 -161129.6726 -108874.5258 298.5754 -81.7144 -48.3116 762888.5917 -4.1666 -4.1985 PRESSURE: 4033000 14.6374 157.84 -74.0841 157.841 183.019 -39.6544 -74.0834 -39.6552 94.5974 GPRESSURE: 4033000 110.92 193.232 -7.89228 124.479 90.6166 -5.65928 78.9715 -126.932 170.896 PRESSAVG: 4033000 -10.6346 -34.5594 44.4663 -34.5595 31.8223 -11.0104 44.4664 -11.0103 -5.60723 GPRESSAVG: 4033000 -10.5741 -34.6518 43.0221 -33.4911 31.3012 -10.7714 43.4587 -12.2973 -5.87485 TIMING: 4033000 CPU: 12598.2, 0.00310723/step Wall: 12598.2, 0.00310723/step, 0.834636 hours remaining, 233.949219 MB of memory in use. ENERGY: 4033000 4060.4588 20497.4459 14454.8497 216.2294 -202877.1228 2518.5897 0.0000 0.0000 52117.2767 -109012.2726 299.5187 -161129.5493 -108653.7949 299.4210 97.4181 124.1441 761983.9834 5.1935 4.9507 PRESSURE: 4033200 101.391 28.7314 -71.9425 28.7322 -156.646 65.8561 -71.9432 65.8565 50.8734 GPRESSURE: 4033200 102.266 54.1695 -35.3393 -102.006 -96.2604 -4.87163 -70.6479 117.262 55.6008 PRESSAVG: 4033200 -2.37006 7.79598 -9.80063 7.796 -38.1613 -4.12388 -9.80064 -4.12376 5.83455 GPRESSAVG: 4033200 -2.26076 7.32263 -8.25959 9.58281 -36.8241 -4.91927 -8.5547 -3.15289 4.2457 TIMING: 4033200 CPU: 12598.8, 0.00310664/step Wall: 12598.8, 0.00310665/step, 0.834307 hours remaining, 233.949219 MB of memory in use. ENERGY: 4033200 3936.5101 20788.0078 14420.7859 244.9019 -202820.7544 2398.9050 0.0000 0.0000 51891.6766 -109139.9670 298.2222 -161031.6436 -108771.0470 299.5616 -1.4606 20.5356 762179.7346 -11.5656 -11.6131 PRESSURE: 4033400 5.84674 -135.848 -45.3287 -135.848 -176.746 167.467 -45.3283 167.467 320.213 GPRESSURE: 4033400 34.3911 -162.781 -29.9387 -210.66 -149.229 155.695 -70.5401 62.3256 340.028 PRESSAVG: 4033400 -22.4977 25.0852 -7.18072 25.0852 38.6527 -12.6689 -7.18073 -12.6689 -18.1226 GPRESSAVG: 4033400 -23.3681 25.8535 -8.17974 23.9397 38.4435 -13.8918 -6.97603 -12.0572 -17.1114 TIMING: 4033400 CPU: 12599.4, 0.00309894/step Wall: 12599.4, 0.00309894/step, 0.832066 hours remaining, 233.949219 MB of memory in use. ENERGY: 4033400 4012.8355 20467.6770 14465.0590 236.3903 -203199.7403 2548.3127 0.0000 0.0000 52329.1681 -109140.2977 300.7364 -161469.4658 -108773.1091 299.3530 49.7710 75.0636 762170.7216 -0.6559 -0.6787 PRESSURE: 4033600 -421.042 -175.773 -82.1792 -175.774 -3.9102 42.7317 -82.1787 42.7326 -338.244 GPRESSURE: 4033600 -354.795 -276.885 -81.6669 -85.9758 -16.1166 81.1642 -126.238 32.0742 -302.063 PRESSAVG: 4033600 -14.414 23.567 -31.0265 23.5669 -6.77088 -17.3006 -31.0265 -17.3006 -11.1601 GPRESSAVG: 4033600 -13.9749 23.8194 -30.1852 22.7859 -7.96566 -16.7757 -33.839 -17.8903 -10.6641 TIMING: 4033600 CPU: 12600, 0.00309797/step Wall: 12600, 0.00309797/step, 0.831632 hours remaining, 233.949219 MB of memory in use. ENERGY: 4033600 4029.4834 20527.4742 14460.1244 233.7497 -202665.6735 2220.7895 0.0000 0.0000 52101.0219 -109093.0304 299.4253 -161194.0523 -108731.0070 299.7170 -254.3987 -224.3248 763144.6420 -10.7816 -10.8682 PRESSURE: 4033800 -192.019 -41.5451 -17.3189 -41.5449 -244.102 -163.305 -17.3178 -163.306 203.852 GPRESSURE: 4033800 -161.922 -2.34082 -111.534 2.47324 -130.942 -116.402 -49.2251 -63.6415 147.656 PRESSAVG: 4033800 -49.5044 -82.6167 -48.595 -82.6167 39.1778 -39.5297 -48.595 -39.5297 0.372149 GPRESSAVG: 4033800 -48.1123 -81.9364 -49.7175 -82.4237 39.2239 -37.1074 -47.8459 -42.1568 -1.37593 TIMING: 4033800 CPU: 12600.6, 0.00309441/step Wall: 12600.6, 0.00309441/step, 0.830505 hours remaining, 233.949219 MB of memory in use. ENERGY: 4033800 4045.4878 20275.9618 14484.9086 255.9182 -202807.0746 2467.6628 0.0000 0.0000 52183.7679 -109093.3675 299.9008 -161277.1354 -108728.9355 299.8035 -77.4230 -48.4025 762404.1357 -3.3181 -3.4214 PRESSURE: 4034000 -62.0089 70.2963 -89.3055 70.2966 -14.0976 -96.3339 -89.3051 -96.3345 -272.798 GPRESSURE: 4034000 8.46234 -30.2675 -122.322 37.8646 -69.1676 -61.2996 27.7613 -160.129 -204.531 PRESSAVG: 4034000 -18.5987 0.116021 4.81182 0.115978 17.96 -32.7593 4.81185 -32.7593 3.49479 GPRESSAVG: 4034000 -18.8914 -0.647244 6.3426 -0.648164 16.4467 -34.5692 7.29792 -29.6998 5.47315 TIMING: 4034000 CPU: 12601.3, 0.00311935/step Wall: 12601.3, 0.00311935/step, 0.837025 hours remaining, 233.949219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4034000 4037.4161 20447.8388 14359.3683 245.9472 -203109.9297 2463.7201 0.0000 0.0000 52315.5594 -109240.0798 300.6582 -161555.6392 -108875.4584 299.3639 -116.3015 -88.4122 761833.2200 0.9520 1.0095 PRESSURE: 4034200 -14.1518 -127.289 -72.2954 -127.29 -137.314 -159.176 -72.2953 -159.176 -258.375 GPRESSURE: 4034200 -36.7408 -82.0099 -162.723 -76.6627 -70.1988 -209.731 -19.3876 -40.6598 -216.502 PRESSAVG: 4034200 28.9113 -13.6314 -28.0641 -13.6315 -33.0757 -34.4976 -28.0641 -34.4976 -21.5266 GPRESSAVG: 4034200 27.9618 -15.3258 -29.6099 -11.7343 -31.3939 -33.8757 -27.2513 -35.8027 -22.0845 TIMING: 4034200 CPU: 12601.9, 0.00309299/step Wall: 12601.9, 0.00309299/step, 0.82978 hours remaining, 233.949219 MB of memory in use. ENERGY: 4034200 4002.2626 20684.5137 14499.9663 245.3258 -202820.3520 2510.0950 0.0000 0.0000 51843.5475 -109034.6411 297.9456 -160878.1886 -108680.1875 299.4279 -136.6137 -107.8138 761632.3269 -8.5637 -8.5055 PRESSURE: 4034400 -93.4092 -126.801 -217.189 -126.801 -63.0164 -49.2449 -217.189 -49.2451 136.425 GPRESSURE: 4034400 -99.1824 -232.6 -210.788 -48.8311 76.3223 -25.3203 -115.488 -58.708 93.5164 PRESSAVG: 4034400 -54.131 -30.6868 -18.2497 -30.6868 50.5488 -35.098 -18.2497 -35.098 12.2962 GPRESSAVG: 4034400 -53.9758 -32.0165 -16.5194 -29.1231 51.5591 -37.1074 -20.6172 -33.458 10.7954 TIMING: 4034400 CPU: 12602.5, 0.00310382/step Wall: 12602.5, 0.00310382/step, 0.832514 hours remaining, 233.949219 MB of memory in use. ENERGY: 4034400 3990.2065 20457.3567 14416.9148 232.8539 -202767.7461 2362.4532 0.0000 0.0000 52054.7475 -109253.2135 299.1593 -161307.9610 -108894.5470 298.9940 -6.6667 23.5521 762609.4075 2.9047 2.7929 PRESSURE: 4034600 324.938 47.5263 109.579 47.5264 159.967 92.4767 109.58 92.4776 155.42 GPRESSURE: 4034600 335.101 -41.2377 70.8655 -29.9431 186.337 106.441 109.447 55.5734 213.453 PRESSAVG: 4034600 -33.673 -40.8418 -15.8751 -40.8418 59.2593 -26.9485 -15.8751 -26.9485 -3.58356 GPRESSAVG: 4034600 -34.065 -41.0086 -18.4029 -41.9654 57.5691 -26.6187 -14.0146 -26.0728 -1.43353 TIMING: 4034600 CPU: 12603.1, 0.00312312/step Wall: 12603.1, 0.00312312/step, 0.837516 hours remaining, 233.949219 MB of memory in use. ENERGY: 4034600 3970.6959 20408.7644 14495.9223 223.8316 -203045.6472 2558.5891 0.0000 0.0000 52127.2301 -109260.6139 299.5759 -161387.8439 -108902.4024 299.0778 213.4413 244.9639 762220.8221 7.3343 7.3569 PRESSURE: 4034800 -75.5896 115.711 -48.6533 115.711 71.7419 163.865 -48.6531 163.865 -198.788 GPRESSURE: 4034800 -72.9238 110.828 -62.3478 114.171 143.985 130.554 54.6132 197.956 -182.865 PRESSAVG: 4034800 -57.2109 -4.15559 9.22891 -4.15562 16.1718 -1.38757 9.22895 -1.38758 3.3567 GPRESSAVG: 4034800 -54.8617 -2.8391 11.9478 -5.49811 15.9999 -1.01092 6.99079 -3.23159 1.14561 TIMING: 4034800 CPU: 12603.7, 0.00310105/step Wall: 12603.7, 0.00310105/step, 0.831426 hours remaining, 233.949219 MB of memory in use. ENERGY: 4034800 3984.0192 20454.0492 14415.4771 261.7105 -202996.5896 2591.0785 0.0000 0.0000 52011.0709 -109279.1842 298.9083 -161290.2552 -108913.7207 298.5513 -67.5453 -37.2680 761182.6275 -12.5608 -12.5721 PRESSURE: 4035000 -343.405 -187.991 79.0509 -187.991 16.3181 -91.5508 79.0516 -91.5503 -260.196 GPRESSURE: 4035000 -274.081 -68.2602 103.513 -139.894 4.58366 -109.528 173.587 -119.375 -226.874 PRESSAVG: 4035000 -84.5 -46.9455 -17.4516 -46.9455 24.9443 29.7983 -17.4516 29.7983 -19.2007 GPRESSAVG: 4035000 -86.1592 -44.9872 -18.7481 -44.713 24.6982 31.0648 -15.0468 28.5732 -18.085 TIMING: 4035000 CPU: 12604.4, 0.0031101/step Wall: 12604.4, 0.0031101/step, 0.83368 hours remaining, 233.949219 MB of memory in use. ENERGY: 4035000 4005.7087 20398.2330 14515.2528 244.4893 -203003.2681 2490.3702 0.0000 0.0000 52040.9849 -109308.2291 299.0803 -161349.2140 -108939.2768 298.8552 -195.7611 -165.4573 761970.1475 -26.2521 -26.5153 PRESSURE: 4035200 75.9564 150.561 191.502 150.562 168.827 36.9311 191.501 36.9294 -216.732 GPRESSURE: 4035200 79.3342 96.0218 48.021 163.351 260.272 81.9826 254.405 37.3765 -220.155 PRESSAVG: 4035200 -26.2697 -16.7194 -6.59306 -16.7194 -16.2806 -19.0239 -6.59306 -19.0238 -1.58698 GPRESSAVG: 4035200 -25.487 -19.5237 -5.7417 -17.9591 -16.4431 -20.2568 -9.38522 -17.539 -1.96469 TIMING: 4035200 CPU: 12605, 0.00311546/step Wall: 12605, 0.00311545/step, 0.834942 hours remaining, 233.949219 MB of memory in use. ENERGY: 4035200 3959.6789 20492.4894 14495.9467 251.3319 -202999.9271 2535.0092 0.0000 0.0000 52094.1304 -109171.3407 299.3857 -161265.4710 -108807.6922 298.9247 9.3504 39.8170 762751.8437 -14.7124 -14.6316 PRESSURE: 4035400 -18.096 39.7419 58.0274 39.7418 1.21046 -116.147 58.0276 -116.148 203.616 GPRESSURE: 4035400 13.721 -55.3553 36.1093 -45.9645 -7.60705 -122.152 130.623 -91.1328 251.995 PRESSAVG: 4035400 -26.7399 -39.7378 -50.9012 -39.7378 30.8331 3.27575 -50.9012 3.27585 2.9159 GPRESSAVG: 4035400 -26.5392 -38.785 -52.3308 -40.8179 32.2075 3.15675 -49.7443 3.06996 2.01184 TIMING: 4035400 CPU: 12605.6, 0.00311358/step Wall: 12605.6, 0.00311358/step, 0.834266 hours remaining, 233.949219 MB of memory in use. ENERGY: 4035400 3996.0178 20615.8613 14503.6706 248.0285 -202992.1340 2596.6203 0.0000 0.0000 51835.2799 -109196.6556 297.8981 -161031.9355 -108840.9126 299.0063 62.2436 86.0363 762092.4917 2.3364 2.5601 PRESSURE: 4035600 -75.9156 -70.2188 61.8537 -70.2194 -107.027 -45.2211 61.8539 -45.2226 -171.287 GPRESSURE: 4035600 4.13573 -136.908 119.26 -32.9288 -59.1272 -13.4954 35.5715 34.9036 -228.598 PRESSAVG: 4035600 -10.0639 -31.5732 -22.2333 -31.5732 16.9446 -5.799 -22.2333 -5.79903 -14.051 GPRESSAVG: 4035600 -11.0642 -31.2375 -22.0417 -29.414 18.2121 -5.54217 -21.7952 -4.72626 -13.9375 TIMING: 4035600 CPU: 12606.2, 0.00312258/step Wall: 12606.2, 0.00312258/step, 0.836503 hours remaining, 233.949219 MB of memory in use. ENERGY: 4035600 4053.8822 20667.3356 14431.5293 254.0054 -202886.1898 2441.8313 0.0000 0.0000 51956.7498 -109080.8562 298.5962 -161037.6059 -108728.3792 298.8420 -118.0766 -94.5297 763785.8165 -2.3901 -2.2632 PRESSURE: 4035800 -497.932 -9.55757 -16.3245 -9.55796 -33.0614 34.035 -16.3242 34.0351 -342.537 GPRESSURE: 4035800 -508.684 110.247 -62.6956 52.2062 44.3143 118.564 -169.645 98.1354 -321.816 PRESSAVG: 4035800 -35.464 -32.8161 -52.9695 -32.8161 41.5872 -19.6877 -52.9694 -19.6877 7.75894 GPRESSAVG: 4035800 -35.0546 -30.3982 -53.338 -34.2202 39.7866 -19.4848 -54.0086 -18.8216 8.60936 TIMING: 4035800 CPU: 12606.9, 0.00310114/step Wall: 12606.9, 0.00310114/step, 0.830588 hours remaining, 233.949219 MB of memory in use. ENERGY: 4035800 4028.5977 20564.1073 14489.2818 253.1373 -202983.7022 2413.3350 0.0000 0.0000 52032.5235 -109202.7196 299.0316 -161235.2431 -108834.9653 299.6874 -291.1768 -262.0617 761745.0761 4.6274 4.4472 PRESSURE: 4036000 -417.946 16.2686 -328.472 16.2685 -166.657 20.3145 -328.473 20.3142 -274.92 GPRESSURE: 4036000 -401.293 56.6374 -281.754 43.4281 -131.254 31.6054 -179.627 59.4021 -248.715 PRESSAVG: 4036000 -47.6491 9.16125 26.6009 9.16131 32.4926 -17.4997 26.6009 -17.4997 13.9966 GPRESSAVG: 4036000 -49.2721 6.40595 27.8824 10.4333 33.1829 -17.9525 26.3866 -17.8443 14.3299 TIMING: 4036000 CPU: 12607.5, 0.00310726/step Wall: 12607.5, 0.00310726/step, 0.832055 hours remaining, 233.949219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4036000 4087.4666 20493.7176 14441.2920 251.8937 -202877.4838 2466.4641 0.0000 0.0000 51936.2105 -109200.4393 298.4781 -161136.6498 -108838.7859 299.5516 -286.5076 -260.4204 762269.6303 -0.3866 -0.5864 PRESSURE: 4036200 29.088 -294.042 185.36 -294.043 -114.019 -100.254 185.36 -100.255 69.1474 GPRESSURE: 4036200 71.9803 -204.527 200.626 -250.225 -70.4518 5.19647 78.0301 -54.4985 14.5066 PRESSAVG: 4036200 -64.5323 -5.9469 61.3457 -5.94693 26.4167 -14.8322 61.3457 -14.8323 29.8211 GPRESSAVG: 4036200 -63.2691 -4.18397 60.2433 -6.08542 25.8849 -13.8112 62.4608 -14.8741 29.2191 TIMING: 4036200 CPU: 12608.1, 0.00310206/step Wall: 12608.1, 0.00310206/step, 0.830489 hours remaining, 233.949219 MB of memory in use. ENERGY: 4036200 3929.6350 20558.7720 14559.9887 259.4104 -203453.0741 2610.4335 0.0000 0.0000 52280.3771 -109254.4574 300.4560 -161534.8345 -108883.2519 299.3000 -5.2611 5.3451 761304.8010 -2.7648 -2.7217 LDB: ============= START OF LOAD BALANCING ============== 12620.6 LDB: ============== END OF LOAD BALANCING =============== 12620.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12620.6 LDB: ============= START OF LOAD BALANCING ============== 12620.9 LDB: Largest compute 6998 load 0.028659 is 14.7% of average load 0.195243 LDB: Average compute 0.004383 is 2.2% of average load 0.195243 LDB: TIME 12620.9 LOAD: AVG 0.195243 MAX 0.219271 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.52 MB LDB: TIME 12620.9 LOAD: AVG 0.195243 MAX 0.219271 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.52 MB LDB: TIME 12620.9 LOAD: AVG 0.195243 MAX 0.217826 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.52 MB LDB: ============== END OF LOAD BALANCING =============== 12620.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12620.9 PRESSURE: 4036400 -100.069 -136.8 -184.809 -136.802 197.672 -24.2062 -184.809 -24.2063 -79.5135 GPRESSURE: 4036400 56.4796 -100.088 -170.605 -83.1078 125.805 -32.3749 -198.532 180.324 -107.417 PRESSAVG: 4036400 -14.4383 -4.64933 69.6172 -4.6493 -3.25194 -30.9127 69.6172 -30.9127 16.0703 GPRESSAVG: 4036400 -15.0063 -4.95321 70.8362 -5.74939 -2.02476 -31.2669 67.124 -30.2497 15.2798 TIMING: 4036400 CPU: 12608.7, 0.00317505/step Wall: 12608.7, 0.00317505/step, 0.849855 hours remaining, 236.441406 MB of memory in use. ENERGY: 4036400 4028.3717 20665.4032 14416.6174 243.3905 -202977.0490 2350.2748 0.0000 0.0000 52149.3060 -109123.6853 299.7028 -161272.9913 -108773.2886 299.2714 6.0298 24.9562 762071.8001 -0.5400 -0.5838 PRESSURE: 4036600 -277.25 -2.5865 29.0531 -2.58513 45.8415 -42.8463 29.053 -42.8464 -80.1827 GPRESSURE: 4036600 -186.42 48.0685 -42.1726 141.665 63.1928 -89.5153 141.607 20.1972 -89.7593 PRESSAVG: 4036600 15.2009 -15.1013 31.5321 -15.1013 2.57052 -35.7548 31.5321 -35.7548 -28.1781 GPRESSAVG: 4036600 14.4917 -15.8744 31.0631 -13.7951 1.88153 -36.9578 33.2848 -38.9775 -26.9504 TIMING: 4036600 CPU: 12609.4, 0.00311378/step Wall: 12609.4, 0.00311378/step, 0.833283 hours remaining, 236.972656 MB of memory in use. ENERGY: 4036600 4000.9666 20458.5121 14534.0599 243.0407 -203201.0139 2522.1913 0.0000 0.0000 52196.6916 -109245.5516 299.9751 -161442.2433 -108885.3000 299.6628 -103.8639 -70.9954 761752.4877 -3.4689 -3.5257 PRESSURE: 4036800 227.344 31.7876 289.854 31.7875 23.7732 -119.871 289.854 -119.87 68.9894 GPRESSURE: 4036800 164.308 5.73778 267.185 130.524 181.424 -35.3568 247.483 -197.513 51.1812 PRESSAVG: 4036800 -20.2004 -44.6665 21.6787 -44.6665 29.2776 11.5432 21.6787 11.5431 -8.15325 GPRESSAVG: 4036800 -20.3331 -45.0246 20.3281 -46.4754 29.1027 12.5891 21.1262 12.6647 -8.17054 TIMING: 4036800 CPU: 12610, 0.00312591/step Wall: 12610, 0.00312591/step, 0.836356 hours remaining, 237.175781 MB of memory in use. ENERGY: 4036800 3902.9454 20376.4674 14482.0724 242.0029 -203100.2079 2607.2781 0.0000 0.0000 52232.3784 -109257.0633 300.1802 -161489.4417 -108892.6618 299.2776 106.7021 132.3045 762052.5393 0.3080 0.1997 PRESSURE: 4037000 -176.387 -83.6378 -6.69421 -83.6368 -174.825 143.759 -6.69505 143.76 -41.9932 GPRESSURE: 4037000 -113.36 -50.149 34.1274 -25.1347 -185.18 175.242 4.46638 161.962 -10.9022 PRESSAVG: 4037000 -5.14124 28.9153 12.951 28.9154 85.1345 47.7287 12.9509 47.7287 -13.5967 GPRESSAVG: 4037000 -4.51007 28.5925 14.4835 30.0723 85.0653 47.5115 14.2357 47.9644 -13.5876 TIMING: 4037000 CPU: 12610.6, 0.00310803/step Wall: 12610.6, 0.00310803/step, 0.831397 hours remaining, 237.175781 MB of memory in use. ENERGY: 4037000 3964.5475 20623.7082 14460.5567 242.6240 -202617.8977 2072.2115 0.0000 0.0000 52026.8171 -109227.4327 298.9988 -161254.2498 -108873.0118 299.2530 -131.0686 -103.1475 761788.6835 22.1322 22.3226 PRESSURE: 4037200 -78.5918 -31.1586 49.3661 -31.1588 169.107 200.862 49.3664 200.861 -204.964 GPRESSURE: 4037200 -56.8632 -50.9476 63.8214 85.5425 155.76 229.243 44.5881 306.11 -155.515 PRESSAVG: 4037200 -54.2307 -1.77525 52.1102 -1.77524 64.5627 -6.8655 52.1102 -6.86552 12.4428 GPRESSAVG: 4037200 -54.1325 0.0806686 53.0045 -2.33868 64.5247 -5.91401 50.565 -5.60965 12.4427 TIMING: 4037200 CPU: 12611.2, 0.00312222/step Wall: 12611.2, 0.00312222/step, 0.835021 hours remaining, 237.175781 MB of memory in use. ENERGY: 4037200 4050.3695 20671.1066 14490.9228 251.4798 -203116.2477 2559.3532 0.0000 0.0000 51988.0388 -109104.9770 298.7760 -161093.0158 -108752.7282 299.3192 -38.1494 -18.8729 761984.1980 7.5916 7.6116 PRESSURE: 4037400 -485.941 -22.2032 123.777 -22.2036 -105.798 38.6474 123.777 38.6479 -91.5191 GPRESSURE: 4037400 -460.591 60.5507 53.494 -23.2191 -155.917 -22.5995 238.227 -43.4991 8.16934 PRESSAVG: 4037400 -18.0246 7.19539 65.0274 7.19542 38.6214 -5.47928 65.0274 -5.47933 -5.36799 GPRESSAVG: 4037400 -17.8101 6.85764 62.3179 7.03675 38.3454 -7.44879 66.2687 -4.95087 -5.23011 TIMING: 4037400 CPU: 12611.8, 0.00312287/step Wall: 12611.8, 0.00312287/step, 0.835022 hours remaining, 237.175781 MB of memory in use. ENERGY: 4037400 3960.2820 20553.0515 14560.8377 245.3938 -202756.0737 2252.9770 0.0000 0.0000 51965.9283 -109217.6033 298.6489 -161183.5316 -108860.0348 299.4212 -227.7527 -202.7792 762434.3853 5.0763 5.1017 PRESSURE: 4037600 -206.053 116.174 156.665 116.174 -333.687 -181.446 156.664 -181.446 125.061 GPRESSURE: 4037600 -187.09 20.2494 182.968 175.532 -209.692 -211.224 22.676 -107.815 44.8107 PRESSAVG: 4037600 15.3659 74.9659 16.0845 74.9659 -9.60088 -77.5588 16.0845 -77.5589 26.68 GPRESSAVG: 4037600 15.4285 75.0081 18.0137 74.7493 -8.58425 -76.7628 17.4644 -78.7449 25.715 TIMING: 4037600 CPU: 12612.5, 0.00311636/step Wall: 12612.5, 0.00311636/step, 0.833107 hours remaining, 237.175781 MB of memory in use. ENERGY: 4037600 3986.3077 20530.0925 14398.8756 232.0487 -202902.3120 2491.5695 0.0000 0.0000 52091.6497 -109171.7682 299.3714 -161263.4180 -108818.4297 299.3631 -138.2264 -117.3240 760098.2117 10.8150 10.8531 PRESSURE: 4037800 78.9433 -0.519139 121.26 -0.518864 272.844 104.805 121.26 104.805 -35.952 GPRESSURE: 4037800 100.65 -5.7141 109.997 90.2057 334.334 163.283 59.9232 64.0318 -46.7009 PRESSAVG: 4037800 -4.70991 16.9429 6.69932 16.9429 -34.1708 14.4724 6.69924 14.4724 19.7668 GPRESSAVG: 4037800 -4.64139 16.7911 7.08936 16.9341 -34.9559 13.5334 5.4244 15.4384 20.0211 TIMING: 4037800 CPU: 12613.1, 0.00311311/step Wall: 12613.1, 0.00311311/step, 0.832064 hours remaining, 237.175781 MB of memory in use. ENERGY: 4037800 4036.8552 20453.8277 14452.2237 237.9844 -203476.5517 2829.6184 0.0000 0.0000 52293.1516 -109172.8907 300.5295 -161466.0423 -108810.2179 299.5359 105.2784 129.4277 760340.9810 -6.3713 -6.5254 PRESSURE: 4038000 -146.027 -96.3909 -157.576 -96.3916 -152.5 -73.4388 -157.577 -73.4392 -124.189 GPRESSURE: 4038000 -207.762 3.01421 -21.5133 28.719 -57.6409 -78.751 -194.238 -112.316 -82.8413 PRESSAVG: 4038000 -10.0977 -17.8511 17.8038 -17.8511 28.7685 -10.4663 17.8038 -10.4663 -1.2411 GPRESSAVG: 4038000 -10.2817 -18.5317 19.0135 -18.3295 28.0868 -9.6264 14.9638 -10.3315 -0.911707 TIMING: 4038000 CPU: 12613.7, 0.00312331/step Wall: 12613.7, 0.00312331/step, 0.834619 hours remaining, 237.175781 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: 4038000 4070.3324 20468.6199 14368.3174 250.0101 -202630.1477 2176.4862 0.0000 0.0000 52284.0878 -109012.2940 300.4774 -161296.3818 -108654.8341 300.3002 -140.9051 -116.0814 759102.1202 5.8099 5.6311 PRESSURE: 4038200 489.715 -126.756 -302.694 -126.758 -48.1693 -99.8228 -302.693 -99.8235 288.99 GPRESSURE: 4038200 357.515 -206.139 -293.081 -85.3523 135.36 -47.5595 -129.731 -173.705 322.56 PRESSAVG: 4038200 -28.1603 -48.2817 -37.9222 -48.2816 -26.1434 36.3696 -37.9222 36.3696 8.12295 GPRESSAVG: 4038200 -30.0549 -49.0613 -38.6677 -45.808 -24.7347 36.5128 -34.9345 37.5398 8.38419 TIMING: 4038200 CPU: 12614.3, 0.00310695/step Wall: 12614.3, 0.00310695/step, 0.830073 hours remaining, 237.175781 MB of memory in use. ENERGY: 4038200 3981.3540 20496.6155 14447.3652 259.0692 -203069.5205 2629.5982 0.0000 0.0000 52254.0291 -109001.4895 300.3046 -161255.5185 -108641.9699 299.7807 243.5118 271.8115 760789.6322 -15.3936 -15.4685 PRESSURE: 4038400 75.1637 94.714 103.657 94.7134 123.942 -131.435 103.657 -131.436 12.6475 GPRESSURE: 4038400 41.6307 39.579 56.2999 -70.3994 147.748 -117.872 3.9791 -160.93 82.0064 PRESSAVG: 4038400 23.2688 -84.1605 -28.5366 -84.1605 -1.20965 -24.9373 -28.5366 -24.9373 -33.5007 GPRESSAVG: 4038400 23.3407 -82.7843 -29.3468 -86.9387 -1.5428 -25.0695 -28.6078 -27.0629 -33.7028 TIMING: 4038400 CPU: 12615, 0.003099/step Wall: 12615, 0.003099/step, 0.827776 hours remaining, 237.175781 MB of memory in use. ENERGY: 4038400 3910.2717 20510.4400 14440.1680 239.5133 -203100.9993 2687.8833 0.0000 0.0000 52273.9000 -109038.8230 300.4188 -161312.7230 -108674.7885 299.8274 70.5844 90.4618 761287.6295 -3.8138 -3.9683 PRESSURE: 4038600 -128.164 -166.747 -7.24549 -166.748 -373.766 61.4034 -7.2452 61.4026 -108.873 GPRESSURE: 4038600 -140.868 -38.8243 105.194 -240.544 -222.274 78.898 -3.27736 20.9657 -166.498 PRESSAVG: 4038600 14.8134 -26.8808 -31.3221 -26.8808 10.5034 1.13153 -31.3221 1.13153 -4.24224 GPRESSAVG: 4038600 14.6129 -28.2589 -29.7741 -25.3931 10.1205 2.59112 -31.9486 -0.691367 -4.20513 TIMING: 4038600 CPU: 12615.6, 0.00308486/step Wall: 12615.6, 0.00308486/step, 0.823829 hours remaining, 237.175781 MB of memory in use. ENERGY: 4038600 3981.0376 20560.2631 14453.4430 232.8755 -202996.8918 2573.3246 0.0000 0.0000 51969.8051 -109226.1429 298.6712 -161195.9480 -108879.1442 299.7896 -203.6010 -176.5463 761856.2963 7.0248 6.8428 PRESSURE: 4038800 -18.8183 -238.329 313.453 -238.328 -181.807 -78.2035 313.454 -78.2039 -45.0721 GPRESSURE: 4038800 31.1054 -185.663 272.546 -270.579 -148.461 -18.9636 285.216 -157.501 -51.2472 PRESSAVG: 4038800 -15.5672 4.20267 20.2873 4.20269 -51.328 -48.1219 20.2872 -48.1219 -11.1975 GPRESSAVG: 4038800 -15.8437 5.39739 20.0306 3.36361 -50.4521 -49.4528 21.0219 -45.8153 -11.5472 TIMING: 4038800 CPU: 12616.2, 0.00309468/step Wall: 12616.2, 0.00309468/step, 0.826279 hours remaining, 237.175781 MB of memory in use. ENERGY: 4038800 3943.2217 20513.5724 14420.6482 267.0755 -203083.2511 2649.0865 0.0000 0.0000 52071.2598 -109218.3871 299.2542 -161289.6468 -108862.7850 299.0487 -81.8990 -56.2010 763601.5269 -26.0309 -25.9476 PRESSURE: 4039000 50.8188 -124.91 -87.2863 -124.911 259.712 -173.992 -87.2862 -173.992 -267.471 GPRESSURE: 4039000 71.0078 -143.844 -134.544 -156.375 284.021 -256.942 -111.395 -21.8152 -249.459 PRESSAVG: 4039000 -23.8283 -44.5452 -20.0239 -44.5452 21.903 -39.3028 -20.0239 -39.3028 12.188 GPRESSAVG: 4039000 -23.7882 -44.3279 -20.0441 -43.7035 20.7772 -38.8448 -20.8712 -40.7134 13.4704 TIMING: 4039000 CPU: 12616.8, 0.00310569/step Wall: 12616.8, 0.00310569/step, 0.829046 hours remaining, 237.175781 MB of memory in use. ENERGY: 4039000 3936.0147 20506.2071 14362.5095 234.4399 -202983.9394 2691.5430 0.0000 0.0000 52320.6441 -108932.5810 300.6875 -161253.2251 -108567.2773 299.6745 14.3532 35.1902 762851.2840 3.4209 3.4865 PRESSURE: 4039200 136.167 -112.02 167.178 -112.02 -89.0004 -144.738 167.177 -144.737 105.215 GPRESSURE: 4039200 97.9961 -70.4886 17.3096 -188.668 -25.3063 -130.508 172.857 -119.279 146.777 PRESSAVG: 4039200 7.93858 -22.1558 9.3533 -22.1558 -33.4328 -2.24368 9.35331 -2.24372 -23.2863 GPRESSAVG: 4039200 8.87657 -22.1827 10.07 -21.4608 -32.8323 -1.59265 10.4988 -0.939683 -24.7906 TIMING: 4039200 CPU: 12617.4, 0.00309372/step Wall: 12617.4, 0.00309372/step, 0.825679 hours remaining, 237.175781 MB of memory in use. ENERGY: 4039200 3981.3808 20491.8485 14457.8545 236.6845 -202406.6289 2321.7573 0.0000 0.0000 51961.8347 -108955.2687 298.6254 -160917.1033 -108607.0662 299.4936 50.7940 73.1555 763841.5928 -16.2602 -16.2488 PRESSURE: 4039400 -51.311 -63.889 35.487 -63.8885 253.996 -10.29 35.4875 -10.2904 -358.42 GPRESSURE: 4039400 55.4254 -131.884 124.251 17.7178 186.485 -18.4653 47.9222 -260.667 -297.639 PRESSAVG: 4039400 57.8599 -37.0952 -2.97533 -37.0952 -35.5776 -2.14052 -2.97541 -2.14056 1.62309 GPRESSAVG: 4039400 56.9058 -38.0403 -3.32222 -39.3613 -35.3946 -3.34191 -4.08886 -3.39503 2.9439 TIMING: 4039400 CPU: 12618.1, 0.00310569/step Wall: 12618.1, 0.00310569/step, 0.828702 hours remaining, 237.175781 MB of memory in use. ENERGY: 4039400 4012.5987 20346.5224 14495.3057 246.5593 -203148.7044 2835.4608 0.0000 0.0000 52197.6816 -109014.5759 299.9808 -161212.2575 -108651.9471 299.9518 -51.9118 -18.5762 763859.2290 7.9685 8.1517 PRESSURE: 4039600 -309.668 -81.9721 -318.394 -81.9721 69.8189 97.8924 -318.394 97.8918 -153.049 GPRESSURE: 4039600 -237.827 -168.952 -359.359 40.8036 146.712 102.088 -198.675 101.647 -212.082 PRESSAVG: 4039600 -29.2578 -17.4407 -24.1016 -17.4407 5.53561 -7.76415 -24.1017 -7.76409 0.669204 GPRESSAVG: 4039600 -28.276 -17.6897 -25.3597 -15.5308 5.3432 -7.51404 -22.8831 -8.68499 -0.13893 TIMING: 4039600 CPU: 12618.7, 0.00309879/step Wall: 12618.7, 0.00309879/step, 0.826688 hours remaining, 237.175781 MB of memory in use. ENERGY: 4039600 3984.0890 20466.7028 14475.3046 248.1767 -202485.6713 2316.4506 0.0000 0.0000 51717.6381 -109277.3095 297.2220 -160994.9476 -108917.5396 298.9090 -130.9663 -101.0657 762839.2307 -7.6843 -7.6906 PRESSURE: 4039800 -81.3405 -65.6067 -104.67 -65.6071 -145.615 7.77095 -104.67 7.77181 17.0405 GPRESSURE: 4039800 -79.137 -30.6999 -176.74 -117.837 -92.1714 -17.0714 -149.959 39.2351 25.4069 PRESSAVG: 4039800 37.8856 -34.8502 -71.2511 -34.8502 -17.0067 23.6601 -71.2511 23.6601 12.2299 GPRESSAVG: 4039800 37.7046 -34.4082 -70.59 -37.0525 -15.3494 23.835 -72.3333 25.5329 10.3227 TIMING: 4039800 CPU: 12619.3, 0.00311273/step Wall: 12619.3, 0.00311273/step, 0.830235 hours remaining, 237.175781 MB of memory in use. ENERGY: 4039800 3937.7888 20488.4622 14448.3306 234.2862 -202810.8454 2574.1093 0.0000 0.0000 51745.3709 -109382.4974 297.3814 -161127.8683 -109021.3352 298.8300 -69.9717 -48.6338 763333.9522 11.0363 10.8926 PRESSURE: 4040000 -136.409 -178.78 14.143 -178.779 -370.695 156.238 14.1426 156.237 38.7022 GPRESSURE: 4040000 -118.654 -191.651 -11.5528 -186.923 -316.965 176.261 144.386 175.696 33.1518 PRESSAVG: 4040000 29.7234 -15.4736 33.6389 -15.4736 -29.9201 -33.1087 33.6389 -33.1087 -5.47204 GPRESSAVG: 4040000 29.4387 -15.3514 33.808 -14.1893 -30.5637 -34.6567 34.7672 -32.5122 -4.44535 TIMING: 4040000 CPU: 12619.9, 0.00311542/step Wall: 12619.9, 0.00311542/step, 0.830779 hours remaining, 237.175781 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: 4040000 3932.5652 20545.4528 14472.8673 262.8595 -202698.8241 2243.1892 0.0000 0.0000 51877.0099 -109364.8804 298.1379 -161241.8903 -109010.1725 298.3029 -156.1341 -134.1555 763982.1188 -1.8896 -1.8568 PRESSURE: 4040200 -173.52 20.8576 -82.719 20.8576 -159.784 101.315 -82.7185 101.316 -19.1426 GPRESSURE: 4040200 -164.967 -0.364168 -84.3717 -13.6503 -167.365 85.6927 -199.63 -0.226189 57.611 PRESSAVG: 4040200 -8.63022 -14.782 34.229 -14.782 6.18174 1.13715 34.2291 1.13713 8.99704 GPRESSAVG: 4040200 -9.39185 -14.1611 33.4465 -16.0528 5.40965 3.61147 32.8656 2.16016 10.3929 TIMING: 4040200 CPU: 12620.5, 0.00312068/step Wall: 12620.5, 0.00312068/step, 0.832007 hours remaining, 237.175781 MB of memory in use. ENERGY: 4040200 3922.2136 20549.0366 14453.2710 248.5196 -202643.5149 2196.6480 0.0000 0.0000 51984.6228 -109289.2034 298.7563 -161273.8262 -108936.7301 298.7107 -117.4819 -91.5739 763298.2687 2.1829 2.1369 LDB: ============= START OF LOAD BALANCING ============== 12633 LDB: ============== END OF LOAD BALANCING =============== 12633 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12633 LDB: ============= START OF LOAD BALANCING ============== 12633.3 LDB: Largest compute 6998 load 0.029025 is 14.9% of average load 0.195230 LDB: Average compute 0.004408 is 2.3% of average load 0.195230 LDB: TIME 12633.3 LOAD: AVG 0.19523 MAX 0.217583 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.848 MB LDB: TIME 12633.3 LOAD: AVG 0.19523 MAX 0.217583 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.871 MB LDB: TIME 12633.3 LOAD: AVG 0.19523 MAX 0.217583 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.871 MB LDB: ============== END OF LOAD BALANCING =============== 12633.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12633.4 PRESSURE: 4040400 123.927 -189.72 -198.753 -189.72 -285.601 -222.318 -198.754 -222.317 -23.9057 GPRESSURE: 4040400 130.964 -165.07 -316.732 -116.739 -256.678 -136.193 -91.6087 -157.451 42.2811 PRESSAVG: 4040400 20.0775 -24.3835 39.9891 -24.3834 2.71509 -10.2701 39.989 -10.27 20.0149 GPRESSAVG: 4040400 20.0851 -24.4823 39.7349 -22.576 3.38607 -11.6183 41.2588 -11.1033 19.7634 TIMING: 4040400 CPU: 12621.2, 0.00320214/step Wall: 12621.2, 0.00320214/step, 0.853549 hours remaining, 234.261719 MB of memory in use. ENERGY: 4040400 3952.4538 20315.1177 14433.3134 251.3656 -202918.8511 2495.6376 0.0000 0.0000 52430.5575 -109040.4056 301.3191 -161470.9631 -108676.6213 299.5672 -61.8597 -27.8110 763353.9448 14.2692 14.4115 PRESSURE: 4040600 106.674 49.5968 -74.9484 49.5977 97.372 132.695 -74.9489 132.694 -26.6549 GPRESSURE: 4040600 57.0302 -95.431 -96.072 58.8508 182.011 156.326 -126.711 223.775 19.4896 PRESSAVG: 4040600 26.4335 -64.3148 -3.59962 -64.3147 28.6193 -62.0189 -3.59958 -62.019 10.0115 GPRESSAVG: 4040600 26.9232 -64.7148 -3.4461 -65.4323 29.0075 -62.4594 -5.28969 -63.608 8.6137 TIMING: 4040600 CPU: 12621.8, 0.00313515/step Wall: 12621.8, 0.00313515/step, 0.835518 hours remaining, 234.261719 MB of memory in use. ENERGY: 4040600 4001.2601 20500.3623 14564.5631 234.5331 -202833.7628 2582.5750 0.0000 0.0000 52138.8331 -108811.6361 299.6426 -160950.4692 -108443.9139 299.8336 59.1303 86.1771 762263.6979 21.6881 21.5148 PRESSURE: 4040800 113.145 -31.7249 10.9016 -31.7239 17.5731 -88.1693 10.9012 -88.169 12.323 GPRESSURE: 4040800 70.8812 63.1913 72.8985 -81.5133 27.217 -48.4575 42.2606 -30.5299 130.611 PRESSAVG: 4040800 -22.7088 -7.45198 11.3433 -7.45194 -2.92149 -10.5722 11.3433 -10.5723 -1.5924 GPRESSAVG: 4040800 -23.3218 -7.2732 11.8659 -6.81135 -3.48159 -11.0077 12.4031 -7.93282 -0.80555 TIMING: 4040800 CPU: 12622.4, 0.00311226/step Wall: 12622.4, 0.00311226/step, 0.829243 hours remaining, 234.386719 MB of memory in use. ENERGY: 4040800 4027.8215 20398.7305 14436.5443 254.7153 -202815.7824 2668.6034 0.0000 0.0000 52199.1815 -108830.1860 299.9894 -161029.3675 -108463.8629 300.4675 47.6802 76.2363 762065.1652 -9.0742 -9.2030 PRESSURE: 4041000 420.492 -32.4246 36.5632 -32.4249 218.548 112.593 36.5633 112.592 307.293 GPRESSURE: 4041000 500.409 -38.7035 45.1282 35.1795 198.771 157.621 139.849 164.775 342.695 PRESSAVG: 4041000 -11.9602 2.50975 12.9469 2.50979 -28.6399 -22.6903 12.9469 -22.6903 41.627 GPRESSAVG: 4041000 -11.8606 3.69346 13.448 2.61502 -29.1714 -22.792 13.569 -26.9 41.9817 TIMING: 4041000 CPU: 12623.1, 0.00311883/step Wall: 12623.1, 0.00311883/step, 0.830821 hours remaining, 234.386719 MB of memory in use. ENERGY: 4041000 3988.4642 20485.4434 14329.0399 232.0523 -203093.6973 2893.3295 0.0000 0.0000 52225.1326 -108940.2354 300.1386 -161165.3680 -108587.8073 300.2573 315.4442 347.2916 763109.1255 0.3423 0.3166 PRESSURE: 4041200 -47.2219 9.96861 -174.675 9.96775 -203.545 49.2016 -174.675 49.2012 112.171 GPRESSURE: 4041200 -90.148 2.4249 -288.129 4.93961 -67.5872 26.3914 -212.72 43.647 94.3225 PRESSAVG: 4041200 23.6819 -18.2551 15.6367 -18.2551 -13.6236 -28.7086 15.6366 -28.7086 -6.19773 GPRESSAVG: 4041200 24.6351 -17.8271 14.5027 -19.0347 -12.3032 -28.6332 15.503 -27.2607 -7.80891 TIMING: 4041200 CPU: 12623.7, 0.00310905/step Wall: 12623.7, 0.00310905/step, 0.828043 hours remaining, 234.386719 MB of memory in use. ENERGY: 4041200 3995.4562 20580.8246 14440.7071 249.2265 -202614.7587 2292.7177 0.0000 0.0000 52312.1349 -108743.6918 300.6386 -161055.8267 -108380.0163 300.2289 -46.1988 -21.1375 761904.6389 1.2868 1.5076 PRESSURE: 4041400 179.324 -189.209 131.737 -189.209 172.633 -193.333 131.737 -193.331 224.238 GPRESSURE: 4041400 189.205 -160.092 124.237 -23.2833 302.651 -176.271 142.533 -130.766 164.157 PRESSAVG: 4041400 57.566 -21.4069 12.1091 -21.4069 -82.7821 11.209 12.1092 11.2091 -11.8516 GPRESSAVG: 4041400 58.3059 -23.0472 11.7922 -18.9468 -83.4314 10.4061 11.719 12.0419 -12.0228 TIMING: 4041400 CPU: 12624.3, 0.00311129/step Wall: 12624.3, 0.00311129/step, 0.828466 hours remaining, 234.386719 MB of memory in use. ENERGY: 4041400 3967.0377 20579.1549 14416.0509 247.3038 -203079.7040 2513.6788 0.0000 0.0000 52376.7989 -108979.6789 301.0102 -161356.4779 -108615.1715 300.1536 192.0649 218.6712 761665.3318 -12.3559 -12.3828 PRESSURE: 4041600 358.631 -12.71 73.8924 -12.7102 -87.534 -33.7134 73.8934 -33.7152 64.6552 GPRESSURE: 4041600 386.795 5.98163 124.716 51.1268 -91.8717 -41.4079 169.653 -103.646 136.506 PRESSAVG: 4041600 20.7961 -32.56 6.65777 -32.56 -20.4811 -2.06031 6.65776 -2.06034 17.27 GPRESSAVG: 4041600 19.6223 -32.2098 7.33072 -33.3161 -20.5317 -0.901011 7.44476 -1.35886 18.8207 TIMING: 4041600 CPU: 12624.9, 0.0031261/step Wall: 12624.9, 0.0031261/step, 0.832238 hours remaining, 234.386719 MB of memory in use. ENERGY: 4041600 4002.6318 20498.3978 14437.8578 262.1517 -202859.0769 2702.3890 0.0000 0.0000 52186.8244 -108768.8245 299.9184 -160955.6489 -108401.6772 300.2127 111.9174 143.8098 762605.5377 5.8617 5.9704 PRESSURE: 4041800 -102.1 -140.602 -264.381 -140.602 131.557 -15.9683 -264.381 -15.9694 212.228 GPRESSURE: 4041800 63.3061 -132.1 -166.721 -86.5973 127.066 -27.6375 -288.223 -10.0641 138.252 PRESSAVG: 4041800 -57.5332 -41.6969 -23.4512 -41.6969 -1.95568 31.9686 -23.4512 31.9686 -17.7006 GPRESSAVG: 4041800 -56.2274 -41.28 -23.9108 -43.7255 -1.37878 32.4983 -24.028 30.5317 -19.517 TIMING: 4041800 CPU: 12625.6, 0.00314782/step Wall: 12625.6, 0.00314782/step, 0.837846 hours remaining, 234.386719 MB of memory in use. ENERGY: 4041800 3997.4557 20534.3885 14391.3745 242.7305 -203170.3582 2824.6581 0.0000 0.0000 52356.6570 -108823.0939 300.8944 -161179.7510 -108473.9774 300.1149 80.5618 109.5414 760470.0217 -25.7298 -25.7077 PRESSURE: 4042000 139.417 -44.1102 46.5489 -44.1102 253.352 -67.5752 46.5488 -67.5754 -52.9773 GPRESSURE: 4042000 209.474 -64.9368 13.68 52.7901 203.36 11.0377 5.57502 -127.429 20.8418 PRESSAVG: 4042000 48.8276 14.2868 19.3168 14.2868 -34.0405 -5.05236 19.3167 -5.0523 21.6687 GPRESSAVG: 4042000 48.666 14.1234 20.384 14.9349 -35.4346 -7.52883 18.3916 -2.91487 22.6906 TIMING: 4042000 CPU: 12626.2, 0.00310459/step Wall: 12626.2, 0.00310459/step, 0.826166 hours remaining, 234.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4042000 4011.8195 20520.4049 14480.0670 272.9549 -203152.9885 2718.2050 0.0000 0.0000 52472.9337 -108676.6035 301.5627 -161149.5372 -108321.7938 300.3587 113.2639 144.5589 760905.7107 12.1519 11.9740 PRESSURE: 4042200 -99.1761 88.6714 -10.0895 88.6715 -269.542 65.6887 -10.0898 65.6889 -152.38 GPRESSURE: 4042200 -82.1436 72.4264 -95.6022 127.569 -121.006 63.3893 -104.049 -30.2604 -230.365 PRESSAVG: 4042200 -19.0247 -48.9323 7.54924 -48.9323 33.0309 -35.0915 7.54927 -35.0915 -0.552382 GPRESSAVG: 4042200 -20.2102 -48.5109 8.2072 -48.7736 34.1054 -33.683 6.21083 -35.1529 -0.431741 TIMING: 4042200 CPU: 12626.8, 0.00309954/step Wall: 12626.8, 0.00309954/step, 0.82465 hours remaining, 234.386719 MB of memory in use. ENERGY: 4042200 3981.8933 20638.3189 14452.5518 259.9244 -202669.5645 2341.9033 0.0000 0.0000 52353.8136 -108641.1593 300.8781 -160994.9729 -108273.9814 300.7749 -173.6994 -144.5048 762943.3933 4.4846 4.4878 PRESSURE: 4042400 -37.0217 141.399 35.031 141.398 120.767 28.2728 35.0309 28.2725 -14.3484 GPRESSURE: 4042400 15.9454 135.51 51.0209 -100.077 131.922 10.6444 -54.4054 60.2001 10.4876 PRESSAVG: 4042400 -34.7461 -21.3962 -27.7104 -21.3963 2.27733 -35.8926 -27.7104 -35.8926 7.20785 GPRESSAVG: 4042400 -33.7592 -22.4949 -28.5278 -21.8579 1.39793 -35.2889 -25.4322 -37.3969 7.48351 TIMING: 4042400 CPU: 12627.4, 0.00310358/step Wall: 12627.4, 0.00310358/step, 0.825553 hours remaining, 234.386719 MB of memory in use. ENERGY: 4042400 4052.1014 20458.4444 14479.2422 231.9500 -203092.0737 2822.1738 0.0000 0.0000 52396.4074 -108651.7545 301.1229 -161048.1619 -108282.1397 301.0359 23.1321 52.7850 762512.7119 -8.4203 -8.2926 PRESSURE: 4042600 11.0198 -43.3003 48.01 -43.3007 102.912 -72.1827 48.0096 -72.1827 139.806 GPRESSURE: 4042600 61.1978 -10.3512 39.1679 -21.3073 140.296 -102.661 -5.33904 -106.688 121.419 PRESSAVG: 4042600 10.0485 -13.7056 21.4341 -13.7056 22.3287 -41.6182 21.4341 -41.6182 -21.453 GPRESSAVG: 4042600 11.0441 -13.2777 20.6107 -13.0392 22.2594 -42.8563 20.6778 -39.9023 -22.1436 TIMING: 4042600 CPU: 12628, 0.00309534/step Wall: 12628, 0.00309534/step, 0.823189 hours remaining, 234.386719 MB of memory in use. ENERGY: 4042600 4099.3787 20476.8935 14572.9621 245.6222 -203378.1023 3011.4111 0.0000 0.0000 52330.8380 -108640.9966 300.7460 -160971.8346 -108272.6247 300.6069 84.5792 107.6375 762383.8429 3.6414 3.7200 PRESSURE: 4042800 -134.372 -151.228 172.507 -151.228 -377.705 30.284 172.507 30.2843 -37.6556 GPRESSURE: 4042800 -93.894 -69.8681 126.453 -145.652 -447.003 -28.1645 162.435 177.751 60.7851 PRESSAVG: 4042800 -7.22071 -5.2262 7.66266 -5.22616 -2.86971 10.7949 7.66266 10.7949 -22.1197 GPRESSAVG: 4042800 -7.64867 -5.69867 8.332 -5.90794 -2.3411 11.3272 8.39288 11.3339 -21.7487 TIMING: 4042800 CPU: 12628.7, 0.00308546/step Wall: 12628.7, 0.00308546/step, 0.82039 hours remaining, 234.386719 MB of memory in use. ENERGY: 4042800 4053.7782 20675.8753 14484.9306 248.1081 -202926.9011 2536.3271 0.0000 0.0000 52128.2672 -108799.6147 299.5819 -160927.8818 -108442.6139 300.3173 -183.2443 -160.0372 763135.3443 -10.7367 -10.5795 PRESSURE: 4043000 -25.5598 36.3499 25.0495 36.3494 60.5454 34.2647 25.0495 34.266 454.714 GPRESSURE: 4043000 18.4556 -48.5981 -14.0114 120.165 172.127 -23.1256 -69.2766 -11.2111 383.622 PRESSAVG: 4043000 43.8747 15.8433 -21.2051 15.8433 -18.909 -55.9466 -21.205 -55.9466 -10.6492 GPRESSAVG: 4043000 43.3608 14.7436 -23.1253 17.1585 -19.1406 -55.416 -20.8861 -58.3869 -10.2412 TIMING: 4043000 CPU: 12629.3, 0.00312102/step Wall: 12629.3, 0.00312102/step, 0.829671 hours remaining, 234.386719 MB of memory in use. ENERGY: 4043000 4000.9841 20616.5195 14437.1872 239.5828 -202925.6085 2635.2390 0.0000 0.0000 52164.2631 -108831.8329 299.7887 -160996.0960 -108463.4474 300.2675 163.2334 191.4014 763423.2391 4.7722 4.6597 PRESSURE: 4043200 34.1996 -144.15 -67.4615 -144.15 -28.7632 89.0357 -67.4613 89.0365 63.6125 GPRESSURE: 4043200 3.36302 -207.215 -17.0273 -140.17 31.0313 118.212 -20.489 47.9254 126.674 PRESSAVG: 4043200 17.4982 31.9651 34.8073 31.9651 3.23799 -30.2567 34.8072 -30.2566 16.4016 GPRESSAVG: 4043200 16.6944 33.5699 35.43 31.2553 3.69018 -29.9403 33.8609 -29.3954 16.6515 TIMING: 4043200 CPU: 12629.9, 0.00310932/step Wall: 12629.9, 0.00310932/step, 0.826388 hours remaining, 234.386719 MB of memory in use. ENERGY: 4043200 4016.1640 20536.1152 14489.6436 241.4269 -203246.1876 2872.7674 0.0000 0.0000 52173.5425 -108916.5280 299.8421 -161090.0705 -108547.9840 300.3415 23.0163 53.6895 764345.9727 12.3793 12.3454 PRESSURE: 4043400 -360.542 28.3604 -111.978 28.3596 -553.865 -68.9432 -111.977 -68.9427 -422.373 GPRESSURE: 4043400 -348.526 -73.1386 -90.1073 -36.062 -522.643 -79.6556 -60.2314 -40.0613 -367.958 PRESSAVG: 4043400 52.1812 12.4924 -1.79242 12.4924 -32.9076 30.3169 -1.7924 30.317 -4.71341 GPRESSAVG: 4043400 51.5717 13.2202 -1.72807 10.7534 -32.6064 28.9471 -0.843518 32.3982 -4.61201 TIMING: 4043400 CPU: 12630.5, 0.00311189/step Wall: 12630.5, 0.00311189/step, 0.826899 hours remaining, 234.386719 MB of memory in use. ENERGY: 4043400 3988.8713 20473.2085 14360.5650 252.4531 -202871.8276 2492.3760 0.0000 0.0000 52171.1976 -109133.1561 299.8286 -161304.3536 -108759.8714 299.9023 -445.5935 -413.0424 763366.4647 4.8534 4.7844 PRESSURE: 4043600 -262.618 -268.94 -44.3857 -268.94 -171.001 -101.299 -44.3857 -101.3 96.246 GPRESSURE: 4043600 -198.942 -318.759 99.2727 -263.135 -165.261 -105.967 113.43 -82.7129 104.121 PRESSAVG: 4043600 -3.27663 24.3886 16.7171 24.3887 1.80532 22.5722 16.7171 22.5722 -7.62773 GPRESSAVG: 4043600 -0.779253 22.7759 18.3663 25.8058 -0.267147 22.2264 15.7338 19.742 -7.82037 TIMING: 4043600 CPU: 12631.1, 0.00311353/step Wall: 12631.1, 0.00311353/step, 0.827162 hours remaining, 234.386719 MB of memory in use. ENERGY: 4043600 3977.3305 20626.8239 14463.8252 250.6263 -202753.3864 2356.0501 0.0000 0.0000 51887.8161 -109190.9144 298.2000 -161078.7305 -108827.4359 299.5544 -112.4575 -86.6940 764152.7587 -3.0330 -2.9556 PRESSURE: 4043800 328.971 89.4221 240.366 89.4218 -62.3523 59.4982 240.367 59.4988 37.3054 GPRESSURE: 4043800 259.302 222.97 283.852 141.812 -23.848 87.4056 124.248 -43.3545 139.488 PRESSAVG: 4043800 -31.3985 -2.39972 3.80741 -2.39975 28.7005 -21.4128 3.80742 -21.4129 0.82898 GPRESSAVG: 4043800 -33.516 -1.49309 1.54302 -1.81665 30.3206 -21.8233 3.36057 -18.8174 1.14136 TIMING: 4043800 CPU: 12631.8, 0.00311179/step Wall: 12631.8, 0.00311179/step, 0.826525 hours remaining, 234.386719 MB of memory in use. ENERGY: 4043800 3977.9693 20637.7241 14478.8287 249.0761 -203026.6254 2629.7237 0.0000 0.0000 51873.3720 -109179.9316 298.1170 -161053.3035 -108817.5403 299.0282 101.3081 124.9806 761378.3000 -0.6230 -0.6847 PRESSURE: 4044000 22.6201 37.5748 -131.866 37.575 -22.4186 -76.3309 -131.865 -76.3308 -224.343 GPRESSURE: 4044000 135.356 48.4225 -72.1962 48.0496 -7.61801 -40.56 -67.4087 -172.132 -260.515 PRESSAVG: 4044000 34.4108 50.5728 -10.5233 50.5728 -45.8217 56.511 -10.5234 56.5111 20.2024 GPRESSAVG: 4044000 35.8653 50.14 -9.61636 53.2694 -45.8403 55.1196 -8.91704 57.2784 18.9511 TIMING: 4044000 CPU: 12632.4, 0.00312019/step Wall: 12632.4, 0.00312019/step, 0.828585 hours remaining, 234.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4044000 4097.2599 20369.3236 14427.8629 244.8966 -203590.2963 2835.9249 0.0000 0.0000 52422.7394 -109192.2890 301.2742 -161615.0284 -108820.6209 299.2354 -74.7140 -44.2588 762087.6876 2.9305 2.9921 PRESSURE: 4044200 -238.786 56.141 157.909 56.1418 -267.713 -94.9486 157.907 -94.9484 329.02 GPRESSURE: 4044200 -80.8633 -26.8309 124.867 17.0184 -227.636 -27.3587 67.932 -86.2201 220.887 PRESSAVG: 4044200 24.8944 21.5316 -1.34507 21.5316 -36.0565 20.5967 -1.34506 20.5967 21.5087 GPRESSAVG: 4044200 25.1028 22.2379 -0.928052 19.9836 -36.0748 23.7845 -2.01218 18.4409 21.439 TIMING: 4044200 CPU: 12633, 0.00313081/step Wall: 12633, 0.00313081/step, 0.831231 hours remaining, 234.386719 MB of memory in use. ENERGY: 4044200 4010.4798 20491.0268 14449.5331 241.6662 -203270.9970 2961.2477 0.0000 0.0000 51960.4567 -109156.5867 298.6175 -161117.0434 -108793.7540 299.3830 -59.1596 -29.2041 764171.8634 3.4489 3.4890 LDB: ============= START OF LOAD BALANCING ============== 12645.5 LDB: ============== END OF LOAD BALANCING =============== 12645.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12645.5 LDB: ============= START OF LOAD BALANCING ============== 12645.8 LDB: Largest compute 7048 load 0.029338 is 15.0% of average load 0.195187 LDB: Average compute 0.004392 is 2.3% of average load 0.195187 LDB: TIME 12645.8 LOAD: AVG 0.195187 MAX 0.219531 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.75 MB LDB: TIME 12645.8 LOAD: AVG 0.195187 MAX 0.219531 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.75 MB LDB: TIME 12645.8 LOAD: AVG 0.195187 MAX 0.216699 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.75 MB LDB: ============== END OF LOAD BALANCING =============== 12645.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12645.8 PRESSURE: 4044400 -634.272 42.629 36.8478 42.6284 -671.612 67.5499 36.8475 67.5504 -1021.52 GPRESSURE: 4044400 -599.767 61.8414 32.1262 -94.9661 -668.987 13.5768 -10.6721 136.061 -987.255 PRESSAVG: 4044400 31.8792 25.9941 21.1946 25.9941 -71.2119 25.8876 21.1946 25.8877 -3.74228 GPRESSAVG: 4044400 31.184 23.651 21.6989 24.6212 -69.9577 25.5598 19.9414 25.4305 -4.11387 TIMING: 4044400 CPU: 12633.7, 0.00318708/step Wall: 12633.7, 0.00318708/step, 0.845993 hours remaining, 234.519531 MB of memory in use. ENERGY: 4044400 4078.4940 20454.3621 14402.5030 249.1416 -202538.4861 2111.8105 0.0000 0.0000 52159.0172 -109083.1576 299.7586 -161242.1747 -108710.4337 299.1225 -775.8025 -752.0033 766233.5001 -14.3583 -14.2959 PRESSURE: 4044600 -115.637 -14.9841 152.942 -14.9846 -264.906 -33.9493 152.942 -33.949 -296.221 GPRESSURE: 4044600 -175.629 98.1209 97.6127 -17.4506 -184.778 -126.543 271.402 -117.406 -235.711 PRESSAVG: 4044600 -35.7044 35.2305 19.3895 35.2305 6.49828 5.00742 19.3895 5.00742 26.6254 GPRESSAVG: 4044600 -35.697 37.0632 18.7821 33.1115 5.21743 5.18697 19.5992 5.39197 27.2532 TIMING: 4044600 CPU: 12634.3, 0.00311816/step Wall: 12634.3, 0.00311816/step, 0.827525 hours remaining, 234.640625 MB of memory in use. ENERGY: 4044600 3990.4309 20551.0885 14457.4936 252.3529 -202833.4924 2466.5551 0.0000 0.0000 51767.6922 -109347.8792 297.5096 -161115.5714 -108999.6838 298.9807 -225.5880 -198.7061 763382.0254 -0.8602 -1.0755 PRESSURE: 4044800 -91.0519 205.392 281.924 205.393 -157.918 222.379 281.924 222.378 250.188 GPRESSURE: 4044800 -31.4819 196.098 321.408 210.018 -132.368 223.809 301.186 217.713 264.693 PRESSAVG: 4044800 8.78491 69.7566 16.3213 69.7566 -24.6303 -3.33237 16.3213 -3.33238 7.42252 GPRESSAVG: 4044800 8.0707 70.5271 14.1142 70.7596 -23.1076 -4.33856 16.1457 -4.022 7.39993 TIMING: 4044800 CPU: 12634.9, 0.00310327/step Wall: 12634.9, 0.00310327/step, 0.8234 hours remaining, 234.640625 MB of memory in use. ENERGY: 4044800 4058.1652 20432.7243 14431.5586 240.0131 -203178.1045 2699.6369 0.0000 0.0000 52268.0228 -109047.9837 300.3850 -161316.0065 -108692.2313 299.4458 0.4061 33.6142 762723.7088 -2.8076 -2.5457 PRESSURE: 4045000 418.254 59.4284 -62.6045 59.4292 183.658 -58.5272 -62.604 -58.5283 264.093 GPRESSURE: 4045000 529.643 44.055 44.8146 34.5887 200.736 -32.6978 -75.0437 -75.145 226.975 PRESSAVG: 4045000 -6.51887 24.1333 10.0976 24.1333 -0.516018 8.38236 10.0976 8.38239 -19.4745 GPRESSAVG: 4045000 -5.38294 22.3534 11.6792 24.4418 -1.50776 7.319 10.8435 9.05732 -18.8997 TIMING: 4045000 CPU: 12635.5, 0.0031092/step Wall: 12635.5, 0.0031092/step, 0.824801 hours remaining, 234.640625 MB of memory in use. ENERGY: 4045000 3914.1475 20494.5279 14526.9690 270.8871 -203288.0760 2857.1253 0.0000 0.0000 52211.5481 -109012.8711 300.0605 -161224.4192 -108650.6966 299.6436 288.6681 319.1181 764173.9693 -8.8364 -8.5968 PRESSURE: 4045200 -237.665 -93.7714 -66.436 -93.7709 -92.6762 -42.6289 -66.4358 -42.6293 162.391 GPRESSURE: 4045200 -261.086 -122.324 -93.9003 -175.661 23.1825 -122.771 -38.6973 -11.8826 151.835 PRESSAVG: 4045200 -25.6704 13.1756 -34.7017 13.1757 13.9403 -28.1169 -34.7016 -28.1169 13.8528 GPRESSAVG: 4045200 -25.2747 13.425 -35.1454 15.7035 13.8995 -28.6212 -33.5548 -28.2378 13.3124 TIMING: 4045200 CPU: 12636.1, 0.00309631/step Wall: 12636.1, 0.00309631/step, 0.821209 hours remaining, 234.710938 MB of memory in use. ENERGY: 4045200 3995.0046 20687.0296 14479.3986 263.0817 -203365.2190 2823.3835 0.0000 0.0000 52249.7130 -108867.6079 300.2798 -161117.3209 -108504.4631 300.0182 -55.9834 -28.6894 764292.9674 0.7076 0.6457 PRESSURE: 4045400 76.9417 113.76 69.6244 113.76 -69.7896 -180.333 69.6236 -180.335 61.2245 GPRESSURE: 4045400 85.4708 53.1929 20.9658 115.479 35.8882 -193.536 155.719 -189.336 29.2805 PRESSAVG: 4045400 17.9966 17.181 -15.1566 17.181 -50.9869 -2.66865 -15.1566 -2.66856 0.464915 GPRESSAVG: 4045400 16.6328 19.3265 -14.4296 15.2415 -50.364 -2.07454 -16.4996 -3.77549 0.420867 TIMING: 4045400 CPU: 12636.8, 0.0031102/step Wall: 12636.8, 0.0031102/step, 0.824722 hours remaining, 234.710938 MB of memory in use. ENERGY: 4045400 4014.5922 20425.7758 14494.2314 242.0370 -203114.6226 2706.1226 0.0000 0.0000 52229.7410 -109002.1226 300.1650 -161231.8636 -108631.2747 299.8558 22.7922 50.2132 764665.6441 -10.8418 -11.1034 PRESSURE: 4045600 -131.733 -40.2015 -61.0025 -40.2004 29.3371 150.133 -61.0034 150.133 -78.2725 GPRESSURE: 4045600 -83.6061 52.3046 -63.9289 -29.2965 89.8879 119.071 -172.179 124.938 -92.484 PRESSAVG: 4045600 6.11908 -44.3203 -11.8579 -44.3203 -13.1158 9.02267 -11.858 9.02263 -3.934 GPRESSAVG: 4045600 6.22451 -45.0375 -12.7085 -45.601 -13.8938 9.00328 -13.2882 10.1764 -3.21431 TIMING: 4045600 CPU: 12637.4, 0.00311057/step Wall: 12637.4, 0.00311057/step, 0.824648 hours remaining, 234.710938 MB of memory in use. ENERGY: 4045600 3953.2062 20509.2256 14491.7539 254.8117 -202978.2051 2465.3902 0.0000 0.0000 52281.0623 -109022.7553 300.4600 -161303.8176 -108662.4440 299.4941 -60.2227 -28.7341 762065.2028 -3.6436 -3.6279 PRESSURE: 4045800 -91.5417 -61.0459 43.6839 -61.0459 -140.616 143.832 43.6849 143.832 37.4856 GPRESSURE: 4045800 -36.4663 -99.4545 30.3812 -93.6113 -174.649 174.994 108.625 338.346 96.0214 PRESSAVG: 4045800 6.51757 -40.3938 -7.32357 -40.3939 25.4515 12.637 -7.3236 12.637 6.83081 GPRESSAVG: 4045800 7.16317 -40.0487 -6.18199 -39.8032 25.2057 12.781 -9.34888 13.8251 6.17993 TIMING: 4045800 CPU: 12638, 0.00311863/step Wall: 12638, 0.00311863/step, 0.826609 hours remaining, 234.710938 MB of memory in use. ENERGY: 4045800 3945.2726 20641.7705 14448.1474 259.6636 -202727.3350 2506.9264 0.0000 0.0000 52219.3756 -108706.1789 300.1055 -160925.5545 -108353.1177 299.5274 -64.8906 -38.3647 763744.9293 12.9333 12.8496 PRESSURE: 4046000 32.2114 -240.493 -19.2174 -240.493 -162.96 195.155 -19.2172 195.153 249.751 GPRESSURE: 4046000 -14.9048 -199.809 -59.1935 -276.189 -41.8436 137.591 -40.8212 214.564 270.066 PRESSAVG: 4046000 -9.05738 27.6317 -0.921001 27.6317 12.709 -21.6428 -0.921014 -21.6429 -3.6725 GPRESSAVG: 4046000 -9.47006 25.9522 -1.69402 29.8961 13.5901 -23.0211 2.34157 -20.3254 -4.17895 TIMING: 4046000 CPU: 12638.6, 0.00310197/step Wall: 12638.6, 0.00310197/step, 0.822022 hours remaining, 234.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4046000 4047.1275 20498.8926 14385.4274 229.7251 -202747.3966 2676.6713 0.0000 0.0000 52180.9929 -108728.5597 299.8849 -160909.5526 -108376.1725 300.3051 39.6677 71.1058 764034.1107 -0.0070 -0.0196 PRESSURE: 4046200 -263.715 2.29307 -20.6669 2.29363 -448.102 -31.2709 -20.6666 -31.2713 -420.158 GPRESSURE: 4046200 -145.665 -45.7182 -43.5237 -134.625 -421.103 -33.0318 -21.7847 -59.4357 -496.573 PRESSAVG: 4046200 -29.7003 9.31695 23.3037 9.31691 34.1273 -31.3145 23.3037 -31.3145 -7.52787 GPRESSAVG: 4046200 -28.3838 9.92894 23.5239 8.3716 34.2551 -31.496 23.3937 -33.6315 -8.54622 TIMING: 4046200 CPU: 12639.3, 0.00310432/step Wall: 12639.3, 0.00310433/step, 0.822474 hours remaining, 234.710938 MB of memory in use. ENERGY: 4046200 4012.9552 20627.2460 14436.0443 255.6180 -202568.5467 2331.2706 0.0000 0.0000 52148.0928 -108757.3200 299.6958 -160905.4127 -108393.1108 300.0612 -377.3251 -354.4472 763849.2561 -1.0336 -0.8917 PRESSURE: 4046400 -48.1289 102.849 -27.5067 102.849 -110.055 -56.4513 -27.5068 -56.4512 34.3022 GPRESSURE: 4046400 -129.947 71.1279 -127.214 212.174 -7.90385 -30.1286 56.1558 -97.3447 75.0093 PRESSAVG: 4046400 -36.0101 -31.0262 41.8432 -31.0262 21.645 -43.8922 41.8432 -43.8921 -4.1198 GPRESSAVG: 4046400 -37.8631 -30.7528 43.1997 -31.7647 22.003 -42.1332 41.1377 -44.831 -2.45692 TIMING: 4046400 CPU: 12639.9, 0.00309219/step Wall: 12639.9, 0.00309219/step, 0.819087 hours remaining, 234.710938 MB of memory in use. ENERGY: 4046400 3968.4251 20686.3429 14463.4272 245.1739 -202295.3841 2154.4276 0.0000 0.0000 51909.2596 -108868.3278 298.3232 -160777.5874 -108523.0357 299.9509 -41.2940 -20.9473 763340.6626 -6.1616 -6.1057 PRESSURE: 4046600 60.6147 -137.455 -225.548 -137.454 -331.636 325.45 -225.548 325.45 -263.425 GPRESSURE: 4046600 41.5351 -85.9457 -222.287 -193.215 -248.671 311.226 -99.6645 231.244 -231.796 PRESSAVG: 4046600 38.7575 -4.30307 -37.6182 -4.30306 -4.45342 -2.25269 -37.6182 -2.25267 3.28072 GPRESSAVG: 4046600 41.0326 -3.83112 -38.7927 -3.13555 -6.77296 -2.06237 -36.632 -2.94383 3.5321 TIMING: 4046600 CPU: 12640.5, 0.00309978/step Wall: 12640.5, 0.00309978/step, 0.820924 hours remaining, 234.710938 MB of memory in use. ENERGY: 4046600 4008.9386 20471.5155 14474.8917 271.7897 -202761.7292 2402.9560 0.0000 0.0000 52218.9000 -108912.7377 300.1027 -161131.6377 -108550.9318 299.8773 -178.1488 -146.3105 763686.2476 12.5283 12.5972 PRESSURE: 4046800 85.08 108.369 113.688 108.37 42.8487 -187.623 113.688 -187.623 76.6038 GPRESSURE: 4046800 92.7378 111.679 67.2669 -13.5952 92.2072 -190.752 41.4313 -228.33 95.1743 PRESSAVG: 4046800 -10.8634 2.97553 22.1643 2.97561 -1.13976 -46.71 22.1644 -46.7101 10.1516 GPRESSAVG: 4046800 -12.3448 3.19181 22.1775 3.70212 -0.224808 -47.038 21.8585 -47.6691 10.0566 TIMING: 4046800 CPU: 12641.1, 0.00311155/step Wall: 12641.1, 0.00311155/step, 0.823868 hours remaining, 234.710938 MB of memory in use. ENERGY: 4046800 3932.6211 20704.0658 14531.8853 259.0981 -202957.4085 2715.6711 0.0000 0.0000 52054.6555 -108759.4116 299.1588 -160814.0671 -108401.5734 300.0873 68.1775 93.3731 762642.6385 -0.6172 -0.8377 PRESSURE: 4047000 34.1787 -101.253 94.9347 -101.252 90.7759 66.6311 94.9358 66.6307 72.7636 GPRESSURE: 4047000 97.5828 -116.823 157.662 -57.3603 156.204 8.38018 111.059 41.418 29.2428 PRESSAVG: 4047000 -57.4706 -11.8432 -4.80711 -11.8433 63.4495 5.15157 -4.80706 5.15157 6.57274 GPRESSAVG: 4047000 -55.8179 -13.2638 -4.43256 -12.4948 63.3538 4.12238 -6.88085 5.75275 4.26489 TIMING: 4047000 CPU: 12641.7, 0.00312901/step Wall: 12641.7, 0.00312901/step, 0.828319 hours remaining, 234.710938 MB of memory in use. ENERGY: 4047000 3988.2240 20685.1067 14452.0592 249.4325 -203165.7200 2859.4787 0.0000 0.0000 52367.2574 -108564.1616 300.9553 -160931.4190 -108205.7580 300.2716 65.9061 94.3431 764449.8015 4.1839 3.9336 PRESSURE: 4047200 210.79 33.081 -111.442 33.0807 203.606 -56.0444 -111.442 -56.0444 -437.925 GPRESSURE: 4047200 176.324 81.6975 -119.251 107.151 141.33 -35.0381 7.24953 -16.7496 -253.975 PRESSAVG: 4047200 -2.97444 30.4743 18.4106 30.4742 -16.565 -17.3145 18.4105 -17.3145 0.00566195 GPRESSAVG: 4047200 -3.81638 32.5452 18.0926 29.5211 -17.4848 -15.634 19.7946 -17.1284 1.75077 TIMING: 4047200 CPU: 12642.4, 0.00310881/step Wall: 12642.4, 0.00310881/step, 0.822799 hours remaining, 234.710938 MB of memory in use. ENERGY: 4047200 4035.8190 20545.9188 14474.0692 248.8073 -203300.9814 2945.1465 0.0000 0.0000 52204.6553 -108846.5652 300.0209 -161051.2205 -108488.8382 299.8768 -7.8433 21.2263 763081.9456 -6.5113 -6.5168 PRESSURE: 4047400 -230.551 89.0716 3.0205 89.0711 190.856 -71.8328 3.01997 -71.8334 -279.968 GPRESSURE: 4047400 -207.771 131.083 -40.1127 19.8926 253.204 -155.66 73.3588 15.1843 -277.363 PRESSAVG: 4047400 -9.96216 -8.50653 -17.6471 -8.50652 -3.58063 9.21766 -17.6471 9.21764 -5.18432 GPRESSAVG: 4047400 -9.87068 -9.48856 -18.3936 -7.35696 -3.26948 7.99006 -16.9463 10.6492 -5.19281 TIMING: 4047400 CPU: 12643, 0.00310208/step Wall: 12643, 0.00310208/step, 0.820846 hours remaining, 234.710938 MB of memory in use. ENERGY: 4047400 3993.9673 20558.5490 14511.0797 224.9577 -203275.2406 2894.8299 0.0000 0.0000 52258.4775 -108833.3795 300.3302 -161091.8570 -108467.6776 299.7839 -106.5542 -77.3103 763386.8848 -6.2424 -6.1110 PRESSURE: 4047600 240.896 -160.705 -20.4787 -160.705 259.843 -36.6895 -20.4793 -36.6897 -42.216 GPRESSURE: 4047600 316.543 -127.002 28.2584 -174.284 200.979 -7.14991 93.1205 -71.93 24.1989 PRESSAVG: 4047600 30.2935 61.8859 7.91109 61.8859 -34.1374 16.3788 7.91105 16.3788 -8.82076 GPRESSAVG: 4047600 31.1239 62.3637 7.7705 59.8097 -34.5005 17.9357 5.90316 14.6552 -9.72063 TIMING: 4047600 CPU: 12643.6, 0.00311/step Wall: 12643.6, 0.00311/step, 0.822768 hours remaining, 234.710938 MB of memory in use. ENERGY: 4047600 3981.1683 20596.9194 14493.7263 235.8040 -202987.2574 2642.4699 0.0000 0.0000 52084.1284 -108953.0411 299.3282 -161037.1694 -108592.6450 300.0485 152.8410 180.5736 763162.4570 -4.2215 -4.3657 PRESSURE: 4047800 179.274 -180.759 -143.466 -180.759 114.868 -82.1078 -143.466 -82.1071 324.748 GPRESSURE: 4047800 200.556 -124.936 -189.448 -66.6298 205.025 -8.17374 -135.275 -90.5487 278.098 PRESSAVG: 4047800 -23.708 52.8621 27.2661 52.8622 -0.166786 -3.72772 27.2661 -3.72764 -10.1584 GPRESSAVG: 4047800 -25.2116 53.2705 28.7376 53.165 1.45177 -4.37033 29.0614 -3.14031 -10.5341 TIMING: 4047800 CPU: 12644.2, 0.00309574/step Wall: 12644.2, 0.00309574/step, 0.818823 hours remaining, 234.710938 MB of memory in use. ENERGY: 4047800 3959.0503 20558.2661 14405.5036 246.3955 -203293.3496 2812.1559 0.0000 0.0000 52189.0039 -109122.9743 299.9309 -161311.9782 -108755.1588 299.8180 206.2969 227.8931 762783.0760 -11.3444 -11.4313 PRESSURE: 4048000 -365.125 47.4254 130.95 47.4257 -49.1575 1.29143 130.95 1.28997 -38.8857 GPRESSURE: 4048000 -241.135 93.2622 234.31 39.7917 -61.3784 39.4625 129.302 -50.5785 -54.08 PRESSAVG: 4048000 -0.407748 -1.20991 19.3986 -1.20986 -11.5713 -26.0467 19.3986 -26.0467 -16.3569 GPRESSAVG: 4048000 0.6044 -2.98402 16.5993 -0.129241 -13.2615 -27.6148 18.9149 -27.7042 -16.0107 TIMING: 4048000 CPU: 12644.8, 0.003109/step Wall: 12644.8, 0.003109/step, 0.822157 hours remaining, 234.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4048000 3997.6124 20536.7614 14491.4867 230.4628 -203207.6223 2768.9272 0.0000 0.0000 52190.7456 -108991.6261 299.9409 -161182.3717 -108624.5374 299.5773 -151.0561 -118.8644 763557.7031 -9.4453 -9.5559 PRESSURE: 4048200 -73.9922 -28.6307 27.4221 -28.6308 -61.2287 46.4878 27.4214 46.4863 -205.688 GPRESSURE: 4048200 36.2157 -40.0937 -31.1602 -58.809 -36.878 -37.1593 42.5159 118.765 -232.142 PRESSAVG: 4048200 -53.251 -5.99752 13.3623 -5.99752 58.2022 9.20119 13.3623 9.20112 -13.907 GPRESSAVG: 4048200 -53.998 -6.58641 13.8726 -6.19413 59.2586 9.58551 14.4896 10.4354 -14.1775 TIMING: 4048200 CPU: 12645.5, 0.00310546/step Wall: 12645.5, 0.00310546/step, 0.821048 hours remaining, 234.710938 MB of memory in use. ENERGY: 4048200 3966.4339 20495.7315 14481.0115 239.3221 -203383.0853 2792.6775 0.0000 0.0000 52247.1835 -109160.7252 300.2653 -161407.9088 -108805.4681 299.6127 -113.6364 -77.6015 763869.6463 -2.9853 -2.9723 LDB: ============= START OF LOAD BALANCING ============== 12657.9 LDB: ============== END OF LOAD BALANCING =============== 12657.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12657.9 LDB: ============= START OF LOAD BALANCING ============== 12658.3 LDB: Largest compute 7048 load 0.029235 is 15.0% of average load 0.195203 LDB: Average compute 0.004403 is 2.3% of average load 0.195203 LDB: TIME 12658.3 LOAD: AVG 0.195203 MAX 0.213267 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.672 MB LDB: TIME 12658.3 LOAD: AVG 0.195203 MAX 0.213267 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.875 MB LDB: TIME 12658.3 LOAD: AVG 0.195203 MAX 0.213267 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.875 MB LDB: ============== END OF LOAD BALANCING =============== 12658.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12658.3 PRESSURE: 4048400 157.628 -195.931 -354.947 -195.932 314.985 -22.0213 -354.946 -22.02 -253.197 GPRESSURE: 4048400 150.993 -193.759 -269.946 -171.111 373.84 8.43801 -203.373 -30.9579 -210.315 PRESSAVG: 4048400 -20.077 -57.7695 56.681 -57.7695 17.8843 11.2698 56.6811 11.2698 -4.25046 GPRESSAVG: 4048400 -19.4164 -56.0359 58.9287 -55.0636 18.2561 13.1453 54.4083 10.1393 -5.33388 TIMING: 4048400 CPU: 12646.1, 0.00316162/step Wall: 12646.1, 0.00316162/step, 0.835722 hours remaining, 234.773438 MB of memory in use. ENERGY: 4048400 3985.6900 20467.0373 14495.5896 239.5590 -203173.1884 2668.1724 0.0000 0.0000 51852.8069 -109464.3331 297.9988 -161317.1401 -109107.9623 298.4730 73.1385 104.8395 761925.6758 -2.1477 -2.1647 PRESSURE: 4048600 72.1767 -188.154 -38.9561 -188.153 -12.4855 24.2747 -38.9561 24.2749 50.7788 GPRESSURE: 4048600 26.9523 -311.475 -61.8269 -146.953 92.9039 -1.1507 0.049783 88.7667 73.5527 PRESSAVG: 4048600 -65.7687 -3.83363 -15.1351 -3.83359 52.7889 -31.7303 -15.1351 -31.7303 7.3411 GPRESSAVG: 4048600 -67.032 -4.61916 -16.4438 -4.89233 51.9469 -34.083 -14.6596 -28.5053 9.57018 TIMING: 4048600 CPU: 12646.7, 0.00310071/step Wall: 12646.7, 0.00310072/step, 0.81945 hours remaining, 235.035156 MB of memory in use. ENERGY: 4048600 4032.2209 20492.8320 14438.1051 258.5483 -203476.5873 2859.3327 0.0000 0.0000 52005.3645 -109390.1838 298.8755 -161395.5482 -109026.8329 298.7179 36.8233 64.4696 761405.6848 -1.8796 -1.8383 PRESSURE: 4048800 10.6278 113.081 -30.6088 113.081 -289.68 -98.9729 -30.6086 -98.9732 -151.682 GPRESSURE: 4048800 59.0077 98.9258 -20.0089 73.2647 -165.628 -66.6037 -66.9809 -39.2955 -242.427 PRESSAVG: 4048800 12.6587 -42.8206 -35.6822 -42.8207 14.6017 -51.789 -35.6822 -51.7889 -16.195 GPRESSAVG: 4048800 14.3512 -42.4548 -36.0521 -43.1674 14.5703 -49.522 -35.0006 -53.7172 -17.6856 TIMING: 4048800 CPU: 12647.3, 0.00310522/step Wall: 12647.3, 0.00310522/step, 0.820469 hours remaining, 235.101562 MB of memory in use. ENERGY: 4048800 4006.1274 20515.7952 14530.5472 242.4673 -203077.6909 2542.9420 0.0000 0.0000 51872.7155 -109367.0964 298.1132 -161239.8119 -109003.5771 299.0424 -143.5780 -116.3490 763825.9468 3.6885 3.7453 PRESSURE: 4049000 174.657 -327.65 122.28 -327.65 135.112 -219.628 122.279 -219.628 -4.02601 GPRESSURE: 4049000 233.278 -375.678 161.493 -243.468 199.66 -168.932 56.8381 -386.401 -63.53 PRESSAVG: 4049000 35.4733 -23.1806 -6.22982 -23.1805 -32.4019 7.13531 -6.22979 7.13531 -1.79206 GPRESSAVG: 4049000 35.5888 -24.1271 -5.08358 -22.6766 -31.8326 6.11686 -7.82896 5.49048 -2.54742 TIMING: 4049000 CPU: 12648, 0.00310919/step Wall: 12648, 0.00310919/step, 0.821344 hours remaining, 235.101562 MB of memory in use. ENERGY: 4049000 3967.9268 20592.7897 14515.9849 255.8518 -203326.4674 2698.1823 0.0000 0.0000 51993.2297 -109302.5023 298.8058 -161295.7320 -108949.3060 299.0771 101.9144 123.1361 761899.8741 0.4264 0.4029 PRESSURE: 4049200 -21.7015 -246.637 75.5672 -246.638 157.207 -29.0779 75.5679 -29.0783 493.599 GPRESSURE: 4049200 63.5383 -227.633 27.4676 -172.921 174.392 70.0624 131.826 -1.67109 453.193 PRESSAVG: 4049200 13.6868 -2.32827 -21.3338 -2.32827 -20.041 -16.3731 -21.3337 -16.3732 3.21399 GPRESSAVG: 4049200 13.5584 -1.02463 -21.4963 -4.97139 -20.2468 -15.164 -21.2353 -15.0937 2.98402 TIMING: 4049200 CPU: 12648.6, 0.00310191/step Wall: 12648.6, 0.00310191/step, 0.819249 hours remaining, 235.101562 MB of memory in use. ENERGY: 4049200 3948.2307 20434.5211 14551.4958 257.6207 -203057.7152 2626.0355 0.0000 0.0000 52028.5998 -109211.2115 299.0091 -161239.8113 -108847.6373 299.1015 209.7014 230.3746 761856.6433 -1.0467 -1.2348 PRESSURE: 4049400 -240.209 -86.1187 -93.6465 -86.1197 -366.359 -54.2193 -93.6477 -54.2197 289.517 GPRESSURE: 4049400 -236.567 -27.3839 -174.191 -56.7846 -307.917 4.92316 -31.6934 -132.245 310.09 PRESSAVG: 4049400 28.1057 -24.7735 0.658541 -24.7735 -2.99854 -1.57103 0.658527 -1.57107 11.2916 GPRESSAVG: 4049400 27.8137 -23.2059 0.596479 -23.4999 -3.88266 -3.0147 2.58829 0.0391813 13.078 TIMING: 4049400 CPU: 12649.2, 0.00310846/step Wall: 12649.2, 0.00310846/step, 0.820805 hours remaining, 235.101562 MB of memory in use. ENERGY: 4049400 3936.7646 20576.5004 14521.6076 251.7179 -202789.7634 2294.2823 0.0000 0.0000 51824.6148 -109384.2756 297.8368 -161208.8905 -109030.2324 299.1889 -105.6837 -78.1314 763014.8630 12.1329 12.3363 PRESSURE: 4049600 61.5071 71.0343 282.949 71.0342 60.3226 182.1 282.948 182.1 293.027 GPRESSURE: 4049600 50.6856 75.3292 273.269 43.7322 163.146 140.427 287.555 45.2953 297.818 PRESSAVG: 4049600 15.4704 -22.5371 -33.4662 -22.5371 -2.24452 11.4933 -33.4662 11.4933 2.34679 GPRESSAVG: 4049600 15.0443 -25.6184 -33.5948 -20.5039 -1.50973 11.5858 -33.6692 8.80837 2.20677 TIMING: 4049600 CPU: 12649.8, 0.00310469/step Wall: 12649.8, 0.00310469/step, 0.819638 hours remaining, 235.101562 MB of memory in use. ENERGY: 4049600 3958.4025 20518.9490 14406.3241 251.2028 -203422.0054 2952.9922 0.0000 0.0000 51936.1490 -109397.9857 298.4778 -161334.1348 -109038.7024 299.0112 138.2854 170.5498 762810.6286 5.1909 5.2471 PRESSURE: 4049800 -75.2642 -206.703 -97.7931 -206.704 495.252 -134.968 -97.793 -134.969 327.507 GPRESSURE: 4049800 35.5591 -196.656 -121.813 -210.439 473.216 -197.013 -32.7623 -99.6337 331.122 PRESSAVG: 4049800 8.79574 -21.569 -20.1446 -21.569 24.755 23.0445 -20.1445 23.0445 23.6533 GPRESSAVG: 4049800 9.47882 -20.8431 -20.5819 -22.1294 25.6293 24.6248 -19.5282 24.0241 21.6988 TIMING: 4049800 CPU: 12650.4, 0.00309074/step Wall: 12650.4, 0.00309074/step, 0.815784 hours remaining, 235.101562 MB of memory in use. ENERGY: 4049800 3926.5540 20380.7232 14426.1404 230.1166 -203542.3813 2863.2541 0.0000 0.0000 52039.4162 -109676.1768 299.0712 -161715.5929 -109317.7321 298.6654 249.1649 279.9658 760898.3488 19.0680 18.9356 PRESSURE: 4050000 302.179 -64.4589 -38.1808 -64.4592 127.437 122.72 -38.1819 122.72 -7.5881 GPRESSURE: 4050000 358.076 -65.6879 -55.8181 -118.353 167.994 168.881 41.1381 115.209 2.93094 PRESSAVG: 4050000 -60.2995 -6.21731 -31.1727 -6.21731 70.7012 14.5114 -31.1727 14.5115 9.94022 GPRESSAVG: 4050000 -60.7219 -2.7621 -31.8082 -7.61511 70.2496 12.2504 -32.1334 14.9748 10.9108 TIMING: 4050000 CPU: 12651.1, 0.00309887/step Wall: 12651.1, 0.00309887/step, 0.817758 hours remaining, 235.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4050000 4037.8165 20294.1052 14419.0299 241.9300 -203481.3820 2853.4195 0.0000 0.0000 52006.8462 -109628.2348 298.8841 -161635.0810 -109270.3074 298.5890 140.6759 176.3336 762340.9658 6.7806 6.8128 PRESSURE: 4050200 -252.12 -111.618 62.06 -111.618 243.12 -176.428 62.0596 -176.428 201.589 GPRESSURE: 4050200 -219.786 -62.156 118.129 -154.643 244.594 -127.403 -76.9437 -136.631 253.293 PRESSAVG: 4050200 29.9452 6.81134 7.3633 6.81134 -36.6941 -12.1974 7.36329 -12.1974 -6.75209 GPRESSAVG: 4050200 29.8988 2.63924 7.2631 9.03244 -36.8021 -8.8794 6.22236 -14.1036 -6.62586 TIMING: 4050200 CPU: 12651.7, 0.00310161/step Wall: 12651.7, 0.00310161/step, 0.818308 hours remaining, 235.101562 MB of memory in use. ENERGY: 4050200 4004.8162 20406.7858 14502.6062 252.4708 -203150.9803 2487.7175 0.0000 0.0000 51824.4798 -109672.1042 297.8360 -161496.5839 -109308.5841 298.1375 64.1961 92.7002 762689.3607 -4.5003 -4.5097 PRESSURE: 4050400 129.052 108.256 -14.7715 108.256 257.774 44.2629 -14.7716 44.2625 101.535 GPRESSURE: 4050400 34.3204 170.861 -77.7434 31.3405 317.401 103.845 76.1889 34.4827 210.942 PRESSAVG: 4050400 -4.84867 -0.80641 -3.56814 -0.806413 41.3162 63.8117 -3.56807 63.8117 0.0970088 GPRESSAVG: 4050400 -3.87632 -0.189875 -4.30495 -2.25529 39.2378 63.2189 -2.45634 69.1798 1.13988 TIMING: 4050400 CPU: 12652.3, 0.00311434/step Wall: 12652.3, 0.00311434/step, 0.821493 hours remaining, 235.101562 MB of memory in use. ENERGY: 4050400 3986.2137 20560.2543 14418.1289 254.8563 -203557.3417 2811.0492 0.0000 0.0000 51668.5174 -109858.3219 296.9397 -161526.8393 -109513.8744 298.5310 162.7870 187.5544 761184.6833 12.1882 12.1671 PRESSURE: 4050600 59.4175 -19.0603 -114.6 -19.0599 -155.563 244.631 -114.599 244.63 163.968 GPRESSURE: 4050600 78.9328 -42.1323 -117.723 52.3714 -54.0456 258.817 -109.993 256.357 150.11 PRESSAVG: 4050600 23.539 -26.9925 -32.796 -26.9926 -1.08347 38.4696 -32.7959 38.4696 -8.1649 GPRESSAVG: 4050600 22.9684 -28.728 -32.119 -27.16 1.32935 36.7237 -31.7501 35.5292 -10.1652 TIMING: 4050600 CPU: 12652.9, 0.00311269/step Wall: 12652.9, 0.00311269/step, 0.820885 hours remaining, 235.101562 MB of memory in use. ENERGY: 4050600 4021.0637 20373.2257 14356.2578 245.0988 -203543.8073 2811.3293 0.0000 0.0000 51891.4165 -109845.4156 298.2207 -161736.8321 -109482.7726 298.2671 22.6076 58.3324 762303.6223 4.7635 4.7109 PRESSURE: 4050800 385.44 168.759 -126.679 168.759 -61.7653 -85.3388 -126.679 -85.34 25.7681 GPRESSURE: 4050800 308.244 15.8522 -136.471 180.898 16.6995 -76.8535 -247.444 -55.2401 114.022 PRESSAVG: 4050800 -1.7793 3.18107 -14.0406 3.18113 17.87 26.652 -14.0406 26.652 6.62058 GPRESSAVG: 4050800 -2.2945 4.62392 -11.7035 4.38316 18.1271 27.6123 -17.6539 25.9932 6.36881 TIMING: 4050800 CPU: 12653.5, 0.00310652/step Wall: 12653.5, 0.00310652/step, 0.819085 hours remaining, 235.101562 MB of memory in use. ENERGY: 4050800 3864.1236 20452.1069 14420.1698 225.1553 -204053.5190 2903.4540 0.0000 0.0000 52111.3171 -110077.1924 299.4845 -162188.5095 -109718.2050 297.7046 116.4808 146.3218 761995.7216 7.5704 7.4005 PRESSURE: 4051000 -12.6934 -118.555 -133.357 -118.555 78.5865 -212.983 -133.356 -212.985 83.6148 GPRESSURE: 4051000 -35.1822 -85.32 -129.448 -55.516 113.016 -306.641 -158.723 -269.774 149.322 PRESSAVG: 4051000 3.47656 -15.4737 -64.05 -15.4737 45.4885 -10.4865 -64.05 -10.4865 -5.89614 GPRESSAVG: 4051000 3.84051 -14.7655 -67.3507 -16.6559 44.0585 -10.796 -62.2774 -9.90026 -4.66371 TIMING: 4051000 CPU: 12654.2, 0.00311685/step Wall: 12654.2, 0.00311685/step, 0.821636 hours remaining, 235.101562 MB of memory in use. ENERGY: 4051000 3912.2676 20584.9604 14481.9026 245.8232 -203622.0193 2580.8905 0.0000 0.0000 51760.9831 -110055.1919 297.4711 -161816.1750 -109700.1869 297.4343 49.8359 75.7187 761262.5262 14.3563 14.4118 PRESSURE: 4051200 173.883 -16.3722 35.4613 -16.3733 333.405 55.9006 35.4616 55.9001 -378.795 GPRESSURE: 4051200 140.557 -7.65966 -78.7583 41.1901 352.079 9.86461 31.2728 59.8899 -298.502 PRESSAVG: 4051200 -55.9516 -3.50246 -9.02822 -3.50241 18.7942 5.69762 -9.02824 5.69759 1.47699 GPRESSAVG: 4051200 -55.5314 -2.63961 -6.28181 -3.94518 19.4355 6.46436 -9.76314 7.52747 0.477467 TIMING: 4051200 CPU: 12654.8, 0.00310351/step Wall: 12654.8, 0.00310351/step, 0.817947 hours remaining, 235.101562 MB of memory in use. ENERGY: 4051200 4029.0461 20459.6489 14433.4187 222.3747 -203789.2594 2812.0425 0.0000 0.0000 51897.9627 -109934.7659 298.2583 -161832.7286 -109582.9538 297.6626 42.8310 64.7115 764115.2368 -11.8935 -11.8728 PRESSURE: 4051400 134.486 50.5886 79.6745 50.5882 388.933 148.814 79.6732 148.815 -365.247 GPRESSURE: 4051400 202.129 128.941 107.858 43.6979 347.176 75.0859 129.437 169.316 -314.358 PRESSAVG: 4051400 24.8554 -11.2822 18.2464 -11.2822 -2.15377 -28.6233 18.2464 -28.6233 10.955 GPRESSAVG: 4051400 26.3417 -12.3398 17.6148 -9.6792 -3.87275 -30.3309 17.8754 -27.0566 11.3704 TIMING: 4051400 CPU: 12655.4, 0.00310464/step Wall: 12655.4, 0.00310464/step, 0.818074 hours remaining, 235.101562 MB of memory in use. ENERGY: 4051400 4006.6655 20441.1433 14461.1677 221.0441 -203908.5137 3052.6407 0.0000 0.0000 51744.1978 -109981.6545 297.3746 -161725.8524 -109628.3821 297.5385 52.7239 78.3159 761578.8347 11.2189 11.2798 PRESSURE: 4051600 31.6606 -82.1096 2.28791 -82.1103 -284.322 -83.421 2.28789 -83.4212 162.606 GPRESSURE: 4051600 37.0831 -166.565 34.0963 -41.8019 -194.116 -67.9577 -5.53926 -49.3132 159.084 PRESSAVG: 4051600 -37.1418 4.77743 -35.0331 4.77746 28.2458 56.2355 -35.0331 56.2355 9.73357 GPRESSAVG: 4051600 -37.709 4.27226 -36.3137 5.06416 28.7282 56.7782 -34.7795 52.9156 9.73263 TIMING: 4051600 CPU: 12656, 0.00310006/step Wall: 12656, 0.00310006/step, 0.816694 hours remaining, 235.101562 MB of memory in use. ENERGY: 4051600 3942.9243 20446.7574 14449.7708 227.9834 -203595.2432 2788.1747 0.0000 0.0000 52048.2740 -109691.3585 299.1221 -161739.6325 -109333.0154 297.9703 -30.0183 0.6836 761849.3603 0.2792 0.2506 PRESSURE: 4051800 -113.452 -81.3105 -72.912 -81.3107 -5.44192 -15.1946 -72.9121 -15.1945 106.412 GPRESSURE: 4051800 -2.76578 4.36271 -173.708 -33.8948 -57.4297 -8.43903 -65.5759 31.2936 117.366 PRESSAVG: 4051800 -11.3584 35.8227 45.3676 35.8227 26.168 -40.358 45.3675 -40.3581 -16.3264 GPRESSAVG: 4051800 -11.1739 38.3547 45.6223 33.0567 25.6062 -41.4144 46.0616 -38.9214 -15.9646 TIMING: 4051800 CPU: 12656.7, 0.00311124/step Wall: 12656.7, 0.00311124/step, 0.819465 hours remaining, 235.101562 MB of memory in use. ENERGY: 4051800 4027.1354 20561.6951 14484.8445 228.7243 -203355.9005 2674.5134 0.0000 0.0000 51721.4365 -109657.5513 297.2438 -161378.9878 -109301.3074 297.9688 -4.1606 19.0567 762516.7887 -0.5056 -0.5108 PRESSURE: 4052000 256.79 -10.4066 -203.337 -10.4064 -304.814 185.35 -203.337 185.349 -22.0288 GPRESSURE: 4052000 195.969 -42.1806 -169.461 -3.0037 -187.219 292.527 -258.81 341.926 -8.67554 PRESSAVG: 4052000 17.6299 34.9555 -26.0063 34.9555 5.31371 -15.3786 -26.0063 -15.3786 -33.9974 GPRESSAVG: 4052000 17.173 33.5142 -25.2418 35.3182 5.57847 -13.5858 -25.5237 -14.5854 -34.5658 TIMING: 4052000 CPU: 12657.3, 0.00311408/step Wall: 12657.3, 0.00311408/step, 0.82004 hours remaining, 235.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4052000 4023.6346 20502.5320 14522.8639 255.8643 -203586.9396 2829.6215 0.0000 0.0000 51755.0335 -109697.3898 297.4369 -161452.4233 -109339.5993 298.5856 -23.3511 0.0246 761587.8684 -3.6846 -3.9381 PRESSURE: 4052200 219.15 50.8711 61.2241 50.8718 -153.462 153.957 61.2239 153.957 142.561 GPRESSURE: 4052200 221.098 137.57 50.9117 -28.2261 -74.344 127.732 212.332 132.219 137.635 PRESSAVG: 4052200 -10.8396 38.0755 15.9664 38.0755 -27.4512 44.3301 15.9664 44.3301 11.5611 GPRESSAVG: 4052200 -11.709 36.2736 16.388 39.1345 -27.2734 44.1804 15.2242 42.7053 11.88 TIMING: 4052200 CPU: 12657.9, 0.00310143/step Wall: 12657.9, 0.00310143/step, 0.816538 hours remaining, 235.101562 MB of memory in use. ENERGY: 4052200 3964.3243 20396.8537 14467.2986 242.7971 -203720.9966 2924.1263 0.0000 0.0000 51950.8355 -109774.7610 298.5622 -161725.5964 -109417.6947 297.6296 69.4167 94.7963 762172.8596 -8.9099 -9.0341 LDB: ============= START OF LOAD BALANCING ============== 12670.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12670.4 LDB: =============== DONE WITH MIGRATION ================ 12670.4 LDB: ============= START OF LOAD BALANCING ============== 12670.7 LDB: Largest compute 7026 load 0.029481 is 15.1% of average load 0.195302 LDB: Average compute 0.004386 is 2.2% of average load 0.195302 LDB: TIME 12670.7 LOAD: AVG 0.195302 MAX 0.214459 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.668 MB LDB: TIME 12670.7 LOAD: AVG 0.195302 MAX 0.214459 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.672 MB LDB: TIME 12670.7 LOAD: AVG 0.195302 MAX 0.214459 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.672 MB LDB: ============== END OF LOAD BALANCING =============== 12670.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12670.7 PRESSURE: 4052400 -429.873 7.23263 19.5766 7.23096 -160.007 -47.9137 19.5761 -47.9135 122.506 GPRESSURE: 4052400 -364.079 58.432 1.53516 149.32 -164.226 -62.1402 70.3921 -41.0163 142.555 PRESSAVG: 4052400 -41.1337 12.3491 19.5506 12.349 8.22093 12.8602 19.5506 12.8601 19.7105 GPRESSAVG: 4052400 -42.3437 13.0094 19.2195 12.7893 9.39082 11.4092 21.0549 12.9076 19.3269 TIMING: 4052400 CPU: 12658.5, 0.00317241/step Wall: 12658.5, 0.00317241/step, 0.835048 hours remaining, 233.855469 MB of memory in use. ENERGY: 4052400 3982.6153 20547.2325 14419.0843 222.2290 -203545.0988 2837.8505 0.0000 0.0000 51513.9280 -110022.1593 296.0513 -161536.0873 -109664.2863 297.4953 -155.7915 -128.5835 763711.9870 -4.4007 -4.5420 PRESSURE: 4052600 91.5248 151.129 132.078 151.13 -137.502 -116.574 132.078 -116.573 208.076 GPRESSURE: 4052600 138.206 174.519 87.2658 26.2882 -92.6976 -71.3208 89.6675 -109.503 184.142 PRESSAVG: 4052600 -48.5638 4.05946 -7.81724 4.05944 62.2772 6.69604 -7.81732 6.69605 20.6725 GPRESSAVG: 4052600 -48.7206 3.1679 -8.37279 4.94525 61.6621 7.14159 -8.66582 6.79725 20.9967 TIMING: 4052600 CPU: 12659.2, 0.00311094/step Wall: 12659.2, 0.00311094/step, 0.818697 hours remaining, 233.980469 MB of memory in use. ENERGY: 4052600 4029.0234 20319.3175 14412.0906 225.9239 -203872.8916 2948.7477 0.0000 0.0000 51941.8916 -109995.8970 298.5108 -161937.7885 -109635.7788 297.4991 54.0332 76.5499 763209.2041 11.4620 11.3127 PRESSURE: 4052800 34.6229 -179.03 -134.977 -179.031 -71.4387 -1.24136 -134.978 -1.24166 333.198 GPRESSURE: 4052800 94.3113 -134.185 -95.4971 -62.8662 -59.0262 -28.0175 -21.9644 12.9611 359.725 PRESSAVG: 4052800 -9.09406 26.6224 4.61522 26.6224 14.807 4.69642 4.61519 4.69637 5.21124 GPRESSAVG: 4052800 -8.3182 28.7113 4.13083 24.8152 14.198 5.43688 4.62391 4.77454 4.67119 TIMING: 4052800 CPU: 12659.8, 0.00311034/step Wall: 12659.8, 0.00311034/step, 0.818366 hours remaining, 233.980469 MB of memory in use. ENERGY: 4052800 3953.7311 20413.0004 14429.3638 239.3636 -203457.6202 2664.8331 0.0000 0.0000 52083.3940 -109673.9342 299.3240 -161757.3282 -109320.5926 297.9813 98.7940 131.6701 762936.0198 3.6414 3.5170 PRESSURE: 4053000 -128.126 -8.32156 55.632 -8.32094 -389.228 -141.857 55.6315 -141.857 -399.358 GPRESSURE: 4053000 -150.59 -83.9193 52.5871 -67.8573 -342.582 -181.478 123.596 -166.549 -322.694 PRESSAVG: 4053000 20.7991 -33.9542 3.49729 -33.9542 -70.2919 13.8699 3.49733 13.8698 -15.6257 GPRESSAVG: 4053000 19.8606 -34.5091 3.65372 -32.7591 -70.5203 14.2517 4.15165 13.8807 -14.8433 TIMING: 4053000 CPU: 12660.4, 0.00310216/step Wall: 12660.4, 0.00310216/step, 0.816041 hours remaining, 234.183594 MB of memory in use. ENERGY: 4053000 4011.4724 20412.3812 14437.3339 235.7619 -203442.7470 2721.9564 0.0000 0.0000 52163.9011 -109459.9401 299.7867 -161623.8412 -109085.7046 299.0137 -305.5705 -271.9553 762814.2908 -21.7062 -21.8344 PRESSURE: 4053200 -247.004 -196.566 279.153 -196.565 -88.9042 160.593 279.152 160.594 -481.677 GPRESSURE: 4053200 -221.895 -206.007 230.98 -30.1444 -30.1513 223.387 156.174 29.4381 -475.649 PRESSAVG: 4053200 -27.4199 -17.5221 -6.31951 -17.522 -2.34943 27.3955 -6.31954 27.3955 -9.02013 GPRESSAVG: 4053200 -27.104 -19.3022 -7.57307 -18.6467 -1.79426 26.4093 -6.22126 27.3049 -9.70103 TIMING: 4053200 CPU: 12661, 0.00312065/step Wall: 12661, 0.00312065/step, 0.820731 hours remaining, 234.183594 MB of memory in use. ENERGY: 4053200 3976.8433 20446.9677 14430.7068 251.7456 -203573.8058 2735.0903 0.0000 0.0000 52020.0913 -109712.3608 298.9602 -161732.4521 -109339.6036 298.3971 -272.5286 -242.5649 763511.4035 -12.9298 -12.8664 PRESSURE: 4053400 -70.0777 255.389 200.144 255.39 5.95739 -29.1723 200.145 -29.1719 -235.959 GPRESSURE: 4053400 -55.2351 204.971 236.065 243.894 36.851 -18.7046 191.401 51.316 -234.75 PRESSAVG: 4053400 -13.7594 -10.9215 -32.4525 -10.9214 23.5375 -10.0557 -32.4525 -10.0556 -2.76423 GPRESSAVG: 4053400 -12.8028 -9.59874 -30.7418 -11.175 23.9119 -9.83445 -33.2716 -10.3293 -4.13578 TIMING: 4053400 CPU: 12661.6, 0.00311981/step Wall: 12661.6, 0.00311981/step, 0.820336 hours remaining, 234.183594 MB of memory in use. ENERGY: 4053400 3994.0657 20492.9698 14429.4153 265.3214 -203445.1819 2701.4105 0.0000 0.0000 51817.4379 -109744.5613 297.7955 -161561.9992 -109380.3858 298.7235 -100.0264 -84.3782 761947.8694 2.3380 2.3244 PRESSURE: 4053600 -116.57 -88.3384 -107.412 -88.3386 -12.2412 -28.5275 -107.412 -28.5258 20.1448 GPRESSURE: 4053600 -13.9221 18.1403 30.1207 -174.385 47.3664 40.0347 -94.6789 -12.6384 -62.5293 PRESSAVG: 4053600 -9.51414 -11.4035 -18.1038 -11.4035 -16.7786 11.7087 -18.1039 11.7087 -7.28103 GPRESSAVG: 4053600 -9.94738 -11.8163 -19.7613 -10.6641 -16.7125 13.0517 -14.3097 12.5062 -6.84421 TIMING: 4053600 CPU: 12662.3, 0.0031278/step Wall: 12662.3, 0.0031278/step, 0.822264 hours remaining, 234.183594 MB of memory in use. ENERGY: 4053600 4019.8698 20473.4805 14433.0530 250.0221 -203698.8880 2806.4476 0.0000 0.0000 51921.1214 -109794.8936 298.3914 -161716.0150 -109437.2958 298.1126 -36.2223 -9.6950 761417.9358 -11.1912 -11.1680 PRESSURE: 4053800 -216.357 -83.4509 -143.925 -83.4514 11.5792 -149.2 -143.926 -149.2 66.8 GPRESSURE: 4053800 -129.06 -80.2513 -126.235 -26.3042 1.20064 -136.595 -260.889 -40.9731 63.7187 PRESSAVG: 4053800 -28.7661 -19.9393 -15.4677 -19.9393 21.6984 -56.4356 -15.4677 -56.4357 -14.5133 GPRESSAVG: 4053800 -28.9113 -18.4543 -15.5266 -20.1035 21.8285 -57.6213 -18.2946 -55.0501 -14.6081 TIMING: 4053800 CPU: 12662.9, 0.00310582/step Wall: 12662.9, 0.00310583/step, 0.816314 hours remaining, 234.183594 MB of memory in use. ENERGY: 4053800 3898.4761 20663.9552 14490.9116 229.9929 -203190.5475 2448.0882 0.0000 0.0000 51767.6809 -109691.4424 297.5096 -161459.1234 -109332.4107 298.1954 -45.9928 -21.3802 763105.2367 -7.1937 -7.2303 PRESSURE: 4054000 -174.371 219.09 37.466 219.09 -129.421 -122.046 37.4653 -122.046 -54.2608 GPRESSURE: 4054000 -195.885 145.113 97.4291 199.091 -101.276 -90.3087 -42.4924 -163.526 12.2975 PRESSAVG: 4054000 -23.7298 -16.372 -26.6805 -16.372 50.7799 25.9447 -26.6805 25.9448 -19.3544 GPRESSAVG: 4054000 -23.0955 -16.587 -25.9962 -17.7201 49.255 26.5073 -26.5117 24.0498 -18.7877 TIMING: 4054000 CPU: 12663.5, 0.00310689/step Wall: 12663.5, 0.00310689/step, 0.816422 hours remaining, 234.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4054000 4019.3529 20568.4021 14498.9074 250.6259 -203455.0156 2642.3958 0.0000 0.0000 51935.6345 -109539.6969 298.4748 -161475.3314 -109166.5570 298.4047 -119.3510 -94.9544 761234.5036 2.5652 2.4572 PRESSURE: 4054200 27.8168 96.228 154.191 96.228 -201.94 -42.1411 154.191 -42.1405 -131.349 GPRESSURE: 4054200 89.9296 -6.9764 251.436 128.689 -172.625 -52.8249 154.294 -82.5648 -127.593 PRESSAVG: 4054200 -29.4067 -9.97263 26.9538 -9.97265 28.155 -21.1584 26.9538 -21.1584 11.2161 GPRESSAVG: 4054200 -30.0422 -9.26847 26.7746 -9.65322 28.3303 -20.2637 25.376 -20.0081 11.7499 TIMING: 4054200 CPU: 12664.1, 0.00311341/step Wall: 12664.1, 0.00311341/step, 0.817961 hours remaining, 234.183594 MB of memory in use. ENERGY: 4054200 3971.0171 20450.7284 14512.4754 226.4127 -203491.7647 2643.9980 0.0000 0.0000 52118.9284 -109568.2046 299.5282 -161687.1331 -109195.7634 298.8826 -101.8240 -70.0959 763355.1891 3.3215 3.3460 PRESSURE: 4054400 -65.6825 59.6297 -0.994209 59.6284 378.236 -267.161 -0.994147 -267.161 51.3356 GPRESSURE: 4054400 -52.523 50.1155 14.4426 118.509 396.882 -270.558 -60.6543 -276.918 88.0135 PRESSAVG: 4054400 -20.4578 30.3463 9.13191 30.3463 58.2959 29.4509 9.13184 29.4509 -3.78223 GPRESSAVG: 4054400 -19.2619 29.8371 9.59172 30.295 57.4562 29.2467 7.68311 28.3834 -4.2842 TIMING: 4054400 CPU: 12664.8, 0.00312112/step Wall: 12664.8, 0.00312112/step, 0.819815 hours remaining, 234.183594 MB of memory in use. ENERGY: 4054400 3924.3034 20597.8773 14428.8062 238.8841 -203583.6048 2706.8120 0.0000 0.0000 51814.2380 -109872.6838 297.7771 -161686.9218 -109507.4924 298.4857 121.2963 144.1241 764374.9373 11.3520 11.3034 PRESSURE: 4054600 390.975 -61.8265 -31.6999 -61.8267 25.4319 -31.2925 -31.6997 -31.2937 51.3805 GPRESSURE: 4054600 387.897 -10.3557 -26.5827 17.4208 56.8343 30.3405 -20.9398 -46.1233 109.165 PRESSAVG: 4054600 -40.4737 -0.971954 54.0228 -0.971987 13.4515 13.0009 54.0227 13.001 5.7764 GPRESSAVG: 4054600 -41.4934 -0.832675 53.2541 0.386137 15.02 13.3368 56.6697 12.1935 5.12114 TIMING: 4054600 CPU: 12665.4, 0.00310757/step Wall: 12665.4, 0.00310757/step, 0.816082 hours remaining, 234.183594 MB of memory in use. ENERGY: 4054600 3940.0662 20452.8317 14424.5972 227.2635 -203548.5941 2763.8781 0.0000 0.0000 52037.6981 -109702.2592 299.0614 -161739.9573 -109340.6644 297.7268 155.9292 184.6321 762140.4017 -7.0819 -7.1174 PRESSURE: 4054800 29.0864 -139.916 -3.73378 -139.916 -197.942 33.5141 -3.73284 33.513 76.1091 GPRESSURE: 4054800 20.2692 -24.0453 -3.10203 -83.4064 -135.46 -3.5837 142.173 -59.5107 97.5305 PRESSAVG: 4054800 -38.2648 12.0113 10.0256 12.0113 53.3357 -4.8353 10.0256 -4.83527 17.6507 GPRESSAVG: 4054800 -39.009 10.8531 10.4129 12.3141 53.5116 -6.42111 11.3212 -2.90618 18.4434 TIMING: 4054800 CPU: 12666, 0.00311598/step Wall: 12666, 0.00311598/step, 0.818117 hours remaining, 234.183594 MB of memory in use. ENERGY: 4054800 3920.5222 20507.4067 14437.9943 248.9279 -203087.5077 2438.6143 0.0000 0.0000 51901.7309 -109632.3114 298.2800 -161534.0424 -109272.6739 298.2582 -30.9154 -5.8868 763189.0761 10.9072 10.9820 PRESSURE: 4055000 -456.357 171.506 118.22 171.506 -169.726 387.125 118.221 387.124 -278.693 GPRESSURE: 4055000 -393.371 21.9438 98.7762 126.684 -143.93 452.375 155.668 307.327 -276.946 PRESSAVG: 4055000 48.5115 24.5035 -31.1197 24.5035 -28.6108 53.7138 -31.1198 53.7139 5.93446 GPRESSAVG: 4055000 48.0675 25.0341 -29.5493 23.2253 -28.1466 53.8514 -33.7955 54.2726 5.82524 TIMING: 4055000 CPU: 12666.6, 0.00310438/step Wall: 12666.6, 0.00310438/step, 0.8149 hours remaining, 234.183594 MB of memory in use. ENERGY: 4055000 3965.1600 20470.6180 14527.8411 235.2895 -203150.2663 2423.2173 0.0000 0.0000 51824.3681 -109703.7722 297.8354 -161528.1404 -109342.4275 298.2040 -301.5921 -271.4159 763665.0143 8.6117 8.5820 PRESSURE: 4055200 -217.823 -165.195 77.4505 -165.196 -106.099 -275.106 77.45 -275.107 -70.1492 GPRESSURE: 4055200 -100.06 -218.993 51.184 -10.5567 -84.2437 -266.062 210.256 -139.992 -128.3 PRESSAVG: 4055200 -0.0331999 -14.2414 -13.3161 -14.2414 -16.7798 -5.1231 -13.3161 -5.12313 -3.15686 GPRESSAVG: 4055200 0.397218 -14.3723 -15.0975 -12.532 -16.5673 -4.51332 -13.7012 -6.92964 -4.83779 TIMING: 4055200 CPU: 12667.2, 0.00311729/step Wall: 12667.2, 0.00311729/step, 0.818115 hours remaining, 234.183594 MB of memory in use. ENERGY: 4055200 3944.0484 20652.1891 14407.7661 244.8402 -203231.6364 2556.3029 0.0000 0.0000 51799.3652 -109627.1246 297.6917 -161426.4897 -109264.6034 298.0890 -131.3570 -104.2015 763835.1515 -6.6566 -7.0026 PRESSURE: 4055400 -122.971 -112.415 -0.747758 -112.414 10.7618 -198.168 -0.745904 -198.168 8.75969 GPRESSURE: 4055400 -61.7462 -72.4271 104.15 -68.4143 17.343 -236.325 17.4174 -248.799 33.5526 PRESSAVG: 4055400 -36.8877 -44.6096 30.2072 -44.6097 22.3832 -29.8684 30.2073 -29.8684 -16.3437 GPRESSAVG: 4055400 -37.0171 -43.3487 31.1028 -45.7945 21.3156 -28.9299 31.0847 -28.0716 -15.3695 TIMING: 4055400 CPU: 12667.9, 0.00311665/step Wall: 12667.9, 0.00311665/step, 0.817775 hours remaining, 234.183594 MB of memory in use. ENERGY: 4055400 3877.1562 20483.5565 14518.1147 230.5377 -203510.8499 2639.9400 0.0000 0.0000 52131.6106 -109629.9343 299.6011 -161761.5449 -109267.1033 298.2521 -34.4831 -3.6169 761683.9672 -10.2827 -10.3570 PRESSURE: 4055600 -65.3337 -110.331 -57.9913 -110.332 181.303 -28.7636 -57.9915 -28.7639 -201.336 GPRESSURE: 4055600 -37.0036 62.4265 -122.286 -93.1142 145.85 -70.3169 -10.7057 -103.561 -110.791 PRESSAVG: 4055600 3.56029 1.311 -43.5335 1.31094 -0.648065 -29.8545 -43.5336 -29.8544 3.25366 GPRESSAVG: 4055600 4.27213 1.0145 -43.8278 1.03714 -0.933572 -30.5231 -42.6276 -31.3594 3.23228 TIMING: 4055600 CPU: 12668.5, 0.00311066/step Wall: 12668.5, 0.00311066/step, 0.816029 hours remaining, 234.183594 MB of memory in use. ENERGY: 4055600 3923.6811 20488.3536 14548.6697 246.4004 -203266.8814 2766.2654 0.0000 0.0000 51752.9241 -109540.5871 297.4248 -161293.5113 -109175.2250 298.6041 -28.4556 -0.6484 762610.8164 2.0553 2.1903 PRESSURE: 4055800 85.2465 -272.519 -96.9087 -272.518 345.584 -42.1706 -96.909 -42.1707 4.77845 GPRESSURE: 4055800 105.764 -130.747 -51.1809 -160.935 384.619 -103.384 -91.9453 -33.0971 -12.549 PRESSAVG: 4055800 54.6487 -29.2672 -7.74036 -29.2672 -26.2917 3.91645 -7.74035 3.91648 -9.06334 GPRESSAVG: 4055800 54.0347 -29.0118 -6.18063 -29.5733 -25.798 4.85748 -7.80809 5.91346 -8.79686 TIMING: 4055800 CPU: 12669.1, 0.00313441/step Wall: 12669.1, 0.00313441/step, 0.822087 hours remaining, 234.183594 MB of memory in use. ENERGY: 4055800 3928.5412 20342.9178 14452.0550 253.2519 -204080.6271 3183.7690 0.0000 0.0000 52073.3743 -109846.7179 299.2664 -161920.0922 -109482.4984 298.4471 145.2028 159.2778 761982.4782 6.4312 6.4799 PRESSURE: 4056000 241.136 218.479 68.1475 218.479 -185.317 440.724 68.1469 440.725 -189.854 GPRESSURE: 4056000 217.001 152.875 80.6172 147.733 -104.128 331.936 53.7025 239.451 -172.915 PRESSAVG: 4056000 90.7662 29.4905 31.144 29.4905 -42.8945 -31.5162 31.1439 -31.5162 -3.84733 GPRESSAVG: 4056000 91.7094 27.709 28.1828 29.9655 -43.2961 -34.3825 31.7549 -31.3569 -3.95358 TIMING: 4056000 CPU: 12669.7, 0.00312288/step Wall: 12669.7, 0.00312288/step, 0.818887 hours remaining, 234.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4056000 3956.9872 20461.3370 14458.2542 251.2218 -203379.1505 2774.6293 0.0000 0.0000 51648.9929 -109827.7282 296.8275 -161476.7210 -109473.2644 297.9734 -44.6784 -20.0138 764242.1081 14.6748 14.8199 PRESSURE: 4056200 -266.21 234.071 -244.926 234.072 -106.959 133.251 -244.925 133.251 -173.792 GPRESSURE: 4056200 -212.434 42.5259 -311.465 266.622 -69.9296 149.58 -273.264 187.992 -198.13 PRESSAVG: 4056200 47.8965 5.2359 20.2472 5.23594 21.631 -5.90567 20.2472 -5.90572 2.40925 GPRESSAVG: 4056200 47.0155 6.08548 21.7087 5.09057 21.5158 -3.71372 19.0866 -7.67475 3.02065 TIMING: 4056200 CPU: 12670.4, 0.00312002/step Wall: 12670.4, 0.00312002/step, 0.817966 hours remaining, 234.183594 MB of memory in use. ENERGY: 4056200 4003.5863 20374.5941 14527.7528 229.1645 -203213.8669 2564.5549 0.0000 0.0000 51820.4495 -109693.7650 297.8128 -161514.2144 -109332.3577 297.7132 -182.3202 -160.1644 762178.2880 23.9789 23.8506 LDB: ============= START OF LOAD BALANCING ============== 12682.8 LDB: ============== END OF LOAD BALANCING =============== 12682.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12682.8 LDB: ============= START OF LOAD BALANCING ============== 12683.2 LDB: Largest compute 7007 load 0.029458 is 15.1% of average load 0.195221 LDB: Average compute 0.004410 is 2.3% of average load 0.195221 LDB: TIME 12683.2 LOAD: AVG 0.195221 MAX 0.215336 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.754 MB LDB: TIME 12683.2 LOAD: AVG 0.195221 MAX 0.215336 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.957 MB LDB: TIME 12683.2 LOAD: AVG 0.195221 MAX 0.215336 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.957 MB LDB: ============== END OF LOAD BALANCING =============== 12683.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12683.2 PRESSURE: 4056400 86.3501 -197.784 -200.037 -197.784 -47.0637 31.7045 -200.037 31.7047 4.7433 GPRESSURE: 4056400 112.685 -222.003 -131.633 -121.841 -49.2542 -2.89867 -133.311 75.3484 80.8911 PRESSAVG: 4056400 26.7882 -7.62049 44.215 -7.62047 1.08405 -35.3665 44.2151 -35.3665 19.3423 GPRESSAVG: 4056400 27.6149 -9.21915 45.9533 -6.4279 0.0456829 -36.6211 43.7057 -31.4221 19.2211 TIMING: 4056400 CPU: 12671, 0.00320161/step Wall: 12671, 0.00320161/step, 0.839177 hours remaining, 235.085938 MB of memory in use. ENERGY: 4056400 3951.8474 20488.0428 14496.6906 240.3311 -202999.0506 2344.2387 0.0000 0.0000 51867.5137 -109610.3863 298.0833 -161477.9000 -109255.0883 298.2894 14.6766 48.1074 762677.0522 15.7382 15.6272 PRESSURE: 4056600 261.316 83.2746 -192.314 83.2754 21.7305 55.6782 -192.315 55.679 -160.017 GPRESSURE: 4056600 203.309 129.32 -132.414 167.452 134.178 63.1163 -265.669 43.6358 -139.604 PRESSAVG: 4056600 32.2746 -44.6163 10.9755 -44.6164 -35.2998 7.28179 10.9754 7.28176 -3.15592 GPRESSAVG: 4056600 31.0563 -44.2524 10.1008 -45.0721 -34.017 8.61489 11.089 2.77124 -3.79154 TIMING: 4056600 CPU: 12671.6, 0.00312862/step Wall: 12671.6, 0.00312862/step, 0.819872 hours remaining, 235.152344 MB of memory in use. ENERGY: 4056600 3917.1785 20374.5780 14501.0855 229.4970 -203109.5965 2793.8244 0.0000 0.0000 51796.0088 -109497.4243 297.6724 -161293.4331 -109129.0424 298.4355 41.0098 65.9609 762679.7546 -2.0604 -2.2508 PRESSURE: 4056800 -142.851 -85.7893 193.139 -85.7889 300.223 158.504 193.139 158.504 -310.081 GPRESSURE: 4056800 -71.1247 -17.2957 167.8 -59.8295 283.052 137.798 9.10935 83.5896 -290.806 PRESSAVG: 4056800 -20.0971 -33.3573 -8.92219 -33.3572 30.5992 39.2344 -8.92218 39.2345 4.27954 GPRESSAVG: 4056800 -19.8573 -30.4484 -9.98494 -34.9253 29.8942 38.5015 -9.59494 39.7669 5.31294 TIMING: 4056800 CPU: 12672.3, 0.00310464/step Wall: 12672.3, 0.00310464/step, 0.813417 hours remaining, 235.152344 MB of memory in use. ENERGY: 4056800 3880.2339 20491.3798 14548.0317 256.9580 -203477.8145 2907.0040 0.0000 0.0000 52008.1897 -109386.0175 298.8918 -161394.2072 -109031.5895 298.7823 -50.9029 -26.2931 762894.0324 4.9272 5.1166 PRESSURE: 4057000 113.849 -43.9732 108.003 -43.9726 290.714 229.298 108.002 229.299 70.2111 GPRESSURE: 4057000 274.497 -75.4723 116.609 18.2685 197.872 195.039 82.251 415.117 81.9406 PRESSAVG: 4057000 -18.2241 1.17997 -47.9565 1.18 32.0869 75.2571 -47.9564 75.2569 -5.55519 GPRESSAVG: 4057000 -16.6708 -1.16578 -48.5484 1.33428 31.7476 74.5083 -46.8083 74.5149 -6.90718 TIMING: 4057000 CPU: 12672.9, 0.00312933/step Wall: 12672.9, 0.00312933/step, 0.81971 hours remaining, 235.410156 MB of memory in use. ENERGY: 4057000 4015.1439 20433.1041 14376.0471 243.7224 -203570.8890 2930.5353 0.0000 0.0000 52146.0316 -109426.3047 299.6840 -161572.3363 -109060.6185 298.9525 158.2581 184.7700 763581.7202 2.7692 2.7232 PRESSURE: 4057200 -334.493 108.656 -46.4604 108.657 -169.89 -16.7701 -46.4609 -16.7705 -289.003 GPRESSURE: 4057200 -324.967 72.8747 85.8369 60.3646 -186.512 -48.2746 -116.127 40.4112 -212.613 PRESSAVG: 4057200 -20.7759 14.8412 13.3075 14.8412 -10.1141 -27.8006 13.3075 -27.8007 9.88036 GPRESSAVG: 4057200 -21.221 14.6313 15.0228 14.5112 -11.0954 -26.5921 11.8278 -27.509 11.0138 TIMING: 4057200 CPU: 12673.5, 0.0031183/step Wall: 12673.5, 0.0031183/step, 0.816649 hours remaining, 235.410156 MB of memory in use. ENERGY: 4057200 3996.2558 20440.8475 14413.6993 248.6033 -202917.3957 2577.6785 0.0000 0.0000 51805.4282 -109434.8830 297.7265 -161240.3112 -109058.2599 298.5527 -264.4619 -241.3639 763458.6719 -7.0032 -7.1009 PRESSURE: 4057400 -152.901 -8.39185 -90.6881 -8.39135 -119.638 -221.794 -90.689 -221.795 194.868 GPRESSURE: 4057400 -161.423 -10.8622 28.2791 82.862 -6.77748 -191.691 -98.3432 -149.566 174.07 PRESSAVG: 4057400 14.8001 -3.36725 26.2087 -3.36728 -23.3062 14.5906 26.2087 14.5906 -10.9294 GPRESSAVG: 4057400 14.2733 -3.49191 25.6817 -3.05362 -21.597 14.424 26.7673 13.9772 -11.6734 TIMING: 4057400 CPU: 12674.1, 0.00310694/step Wall: 12674.1, 0.00310694/step, 0.813501 hours remaining, 235.410156 MB of memory in use. ENERGY: 4057400 3958.9240 20305.8099 14458.4999 240.9197 -203147.5493 2741.0045 0.0000 0.0000 52114.3281 -109328.0633 299.5018 -161442.3914 -108963.0336 298.8885 -25.8904 1.9564 763945.6046 -6.4785 -6.3324 PRESSURE: 4057600 -5.36706 -24.3252 15.912 -24.3258 -18.8743 49.8528 15.9116 49.8526 -257.745 GPRESSURE: 4057600 36.872 77.3299 -84.7253 3.9161 13.3697 83.5243 126.935 -12.6036 -222.221 PRESSAVG: 4057600 4.27844 -32.4818 -2.05018 -32.4817 -19.7543 -4.32523 -2.05018 -4.32519 -6.91242 GPRESSAVG: 4057600 4.17898 -32.548 -2.82476 -31.8914 -21.1451 -3.64338 -0.302986 -5.99483 -5.35526 TIMING: 4057600 CPU: 12674.7, 0.00309289/step Wall: 12674.7, 0.00309289/step, 0.809649 hours remaining, 235.410156 MB of memory in use. ENERGY: 4057600 3995.9840 20408.1337 14454.5319 209.2021 -203082.1988 2575.0547 0.0000 0.0000 51933.5584 -109505.7339 298.4629 -161439.2923 -109145.3582 298.8894 -93.9956 -57.3263 763497.9247 -7.4628 -7.4405 PRESSURE: 4057800 -534.197 38.4901 -104.321 38.4903 -317.858 386.669 -104.322 386.668 -289.25 GPRESSURE: 4057800 -495.349 -62.6577 -70.5929 61.2117 -260.821 391.703 -86.2019 396.991 -317.322 PRESSAVG: 4057800 35.9946 -1.97346 -4.882 -1.97345 -66.8042 -8.61134 -4.88198 -8.61146 -2.28385 GPRESSAVG: 4057800 36.041 -1.4387 -4.36828 -1.51436 -65.136 -9.13924 -7.44505 -9.1165 -3.68489 TIMING: 4057800 CPU: 12675.4, 0.00310327/step Wall: 12675.4, 0.00310327/step, 0.812196 hours remaining, 235.410156 MB of memory in use. ENERGY: 4057800 4002.8827 20473.7789 14548.5551 248.0233 -203521.5474 2585.4407 0.0000 0.0000 52204.7209 -109458.1458 300.0212 -161662.8667 -109093.1925 298.8943 -380.4348 -357.8307 761223.8280 -11.0311 -10.9266 PRESSURE: 4058000 64.2478 -33.6847 -42.1623 -33.6845 80.7673 -95.5586 -42.162 -95.5581 122.37 GPRESSURE: 4058000 80.1349 -32.6004 -97.3855 -36.3724 182.912 -22.4234 -149.792 -105.295 94.9385 PRESSAVG: 4058000 -41.5989 70.4014 -55.6635 70.4014 -1.52543 61.9416 -55.6635 61.9416 16.2519 GPRESSAVG: 4058000 -41.2802 71.9197 -56.4229 67.3194 -1.93078 62.9248 -54.3962 64.0011 16.2236 TIMING: 4058000 CPU: 12676, 0.00311667/step Wall: 12676, 0.00311667/step, 0.815528 hours remaining, 235.480469 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: 4058000 3957.1234 20505.9570 14532.6249 248.5821 -203516.4762 2697.0534 0.0000 0.0000 52007.2009 -109567.9345 298.8861 -161575.1354 -109212.3778 298.5899 89.1283 119.3284 759984.8127 -8.9575 -8.9958 PRESSURE: 4058200 492.669 44.2007 -46.5183 44.2002 -51.8523 -59.4543 -46.5193 -59.453 -137.922 GPRESSURE: 4058200 580.866 9.52016 -150.248 -6.91436 -44.5227 23.252 -45.005 -73.3482 -127.195 PRESSAVG: 4058200 57.7469 13.7077 9.51596 13.7078 -48.0611 3.09911 9.51599 3.09916 3.2179 GPRESSAVG: 4058200 57.6659 9.71458 10.4065 16.562 -48.5874 1.54687 7.98472 3.71178 3.85167 TIMING: 4058200 CPU: 12676.6, 0.00311269/step Wall: 12676.6, 0.00311269/step, 0.814316 hours remaining, 235.480469 MB of memory in use. ENERGY: 4058200 3958.1143 20506.1543 14410.6736 242.0310 -203437.6336 2830.8797 0.0000 0.0000 51935.7479 -109554.0329 298.4755 -161489.7807 -109202.7118 298.7574 100.9650 136.3826 762902.6799 4.3012 4.3100 PRESSURE: 4058400 -75.7525 -69.2514 -119.358 -69.2512 -510.602 382.949 -119.359 382.949 94.0291 GPRESSURE: 4058400 -20.4447 10.8041 -62.2471 -4.03884 -457.009 403.629 -49.0619 297.436 84.2511 PRESSAVG: 4058400 55.9027 -18.9854 34.6267 -18.9854 -30.7004 6.04364 34.6267 6.04367 22.0047 GPRESSAVG: 4058400 58.0475 -16.0113 34.6573 -20.5728 -31.7793 6.62722 36.4202 5.91333 20.5858 TIMING: 4058400 CPU: 12677.2, 0.00311318/step Wall: 12677.2, 0.00311318/step, 0.814269 hours remaining, 235.480469 MB of memory in use. ENERGY: 4058400 3933.2618 20496.9033 14481.3740 249.8772 -203097.3343 2629.6185 0.0000 0.0000 51923.1899 -109383.1096 298.4033 -161306.2995 -109027.5380 298.6873 -164.1086 -131.0675 761836.9116 15.7357 15.6180 PRESSURE: 4058600 167.77 183.479 -228.505 183.48 -69.4251 -105.515 -228.504 -105.515 -238.758 GPRESSURE: 4058600 81.3367 220.837 -111.418 45.8449 97.5112 -146.99 -260.796 -144.53 -246.29 PRESSAVG: 4058600 3.25537 36.0742 -14.3621 36.0742 -16.5138 1.57808 -14.3621 1.57808 3.76954 GPRESSAVG: 4058600 2.63974 36.6169 -12.4459 35.6554 -15.505 1.40848 -15.3622 0.919392 3.82755 TIMING: 4058600 CPU: 12677.9, 0.00310902/step Wall: 12677.9, 0.00310902/step, 0.813009 hours remaining, 235.480469 MB of memory in use. ENERGY: 4058600 4008.2209 20564.5198 14485.7741 252.6987 -203178.3816 2491.3431 0.0000 0.0000 52120.7861 -109255.0390 299.5389 -161375.8250 -108891.8684 299.4531 -46.8043 -22.4808 761575.1813 -3.1630 -3.0126 PRESSURE: 4058800 135.418 33.1524 -135.88 33.153 -69.2889 -219.995 -135.88 -219.994 141.42 GPRESSURE: 4058800 140.429 64.4229 -124.212 -80.626 0.736639 -249.357 -133.097 -242.527 157.818 PRESSAVG: 4058800 -33.7733 9.19595 -61.3303 9.19598 18.2136 30.3954 -61.3303 30.3954 3.20573 GPRESSAVG: 4058800 -35.3315 9.01367 -62.4623 7.99197 18.2515 29.5247 -62.3535 31.087 4.45337 TIMING: 4058800 CPU: 12678.5, 0.00311265/step Wall: 12678.5, 0.00311265/step, 0.813785 hours remaining, 235.480469 MB of memory in use. ENERGY: 4058800 3946.7179 20253.8177 14567.1676 252.1540 -203469.2296 2857.8301 0.0000 0.0000 51904.9929 -109686.5494 298.2987 -161591.5423 -109322.7826 298.3874 69.1829 99.6612 761528.1282 -4.1180 -4.2089 PRESSURE: 4059000 143.485 -288.13 -313.165 -288.129 127.832 38.7506 -313.165 38.7503 -133.679 GPRESSURE: 4059000 139.387 -248.321 -328.431 -234.317 179.735 147.365 -319.717 -28.1923 -82.8133 PRESSAVG: 4059000 -4.60214 -30.7444 -54.3205 -30.7444 68.5497 -54.2859 -54.3204 -54.286 19.4912 GPRESSAVG: 4059000 -3.18861 -31.9137 -53.8819 -27.9778 66.5518 -53.8907 -55.049 -53.808 19.876 TIMING: 4059000 CPU: 12679.1, 0.00312235/step Wall: 12679.1, 0.00312235/step, 0.816147 hours remaining, 235.480469 MB of memory in use. ENERGY: 4059000 3966.8834 20456.5741 14508.5340 254.8249 -203102.3014 2522.7604 0.0000 0.0000 52055.9185 -109336.8062 299.1661 -161392.7247 -108992.7724 298.9532 45.8792 78.7695 761181.7291 27.8129 27.7464 PRESSURE: 4059200 -148.512 -109.21 64.7597 -109.209 -227.363 -295.491 64.7592 -295.491 -511.322 GPRESSURE: 4059200 -70.949 75.3864 45.8974 -197.386 -277.262 -249.969 83.6537 -373.554 -465.578 PRESSAVG: 4059200 -23.6563 -12.9049 -53.6693 -12.9049 43.8395 -30.2971 -53.6692 -30.297 -4.72261 GPRESSAVG: 4059200 -24.3079 -10.6883 -53.1979 -15.7383 44.6911 -29.7186 -54.3821 -30.2491 -5.30151 TIMING: 4059200 CPU: 12679.7, 0.00310868/step Wall: 12679.7, 0.00310868/step, 0.812401 hours remaining, 235.480469 MB of memory in use. ENERGY: 4059200 4026.5896 20771.7476 14541.6532 244.5748 -203432.3386 2632.7660 0.0000 0.0000 52084.3906 -109130.6167 299.3297 -161215.0073 -108775.9344 299.2298 -295.7322 -271.2630 762626.4307 5.1535 5.0272 PRESSURE: 4059400 -60.1248 -154.089 108.75 -154.088 -374.746 6.46897 108.75 6.46806 -274.749 GPRESSURE: 4059400 -164.28 -237.268 84.3149 -136.969 -237.592 -14.9135 91.957 -15.4959 -234.504 PRESSAVG: 4059400 18.1096 -8.09093 -22.7408 -8.0909 -7.09135 -49.8409 -22.741 -49.8408 -6.69664 GPRESSAVG: 4059400 17.9266 -10.8352 -25.0555 -5.19586 -7.37332 -50.0002 -21.0746 -50.0221 -6.23147 TIMING: 4059400 CPU: 12680.3, 0.00311023/step Wall: 12680.3, 0.00311023/step, 0.812635 hours remaining, 235.480469 MB of memory in use. ENERGY: 4059400 3906.3389 20559.2683 14517.3534 248.3816 -202734.6178 2401.1537 0.0000 0.0000 51960.2435 -109141.8784 298.6162 -161102.1219 -108773.8664 299.5143 -236.5402 -212.1255 764058.7589 1.4405 1.4406 PRESSURE: 4059600 -241.192 244.604 89.8257 244.605 -236.011 -12.5749 89.8254 -12.5753 -304.107 GPRESSURE: 4059600 -221.403 325.697 164.101 65.6723 -167.238 9.27973 63.3338 29.0642 -300.907 PRESSAVG: 4059600 18.6054 34.3295 -48.1799 34.3295 -17.1234 -16.4748 -48.1799 -16.4748 -1.94738 GPRESSAVG: 4059600 18.7325 35.5493 -46.0582 34.5786 -16.9391 -17.2557 -48.1488 -17.037 -1.91646 TIMING: 4059600 CPU: 12681, 0.00312236/step Wall: 12681, 0.00312236/step, 0.815629 hours remaining, 235.480469 MB of memory in use. ENERGY: 4059600 4007.2518 20679.8341 14416.0097 257.3045 -203409.8380 2725.7621 0.0000 0.0000 52115.2648 -109208.4109 299.5071 -161323.6758 -108847.3139 299.5009 -260.4365 -229.8494 763749.1819 -0.1551 -0.0410 PRESSURE: 4059800 -56.8131 -28.4442 -18.4774 -28.4443 -92.7302 -39.3637 -18.4777 -39.3633 -415.653 GPRESSURE: 4059800 -3.16688 -1.80892 0.724218 -37.1226 -46.6145 -115.672 -3.98599 44.961 -444.835 PRESSAVG: 4059800 -10.6699 -2.39985 1.26011 -2.39983 10.458 8.09273 1.26009 8.09264 47.3177 GPRESSAVG: 4059800 -10.0286 -0.248136 2.66366 -5.61823 10.8186 8.2909 -1.09535 8.65506 46.041 TIMING: 4059800 CPU: 12681.6, 0.0031082/step Wall: 12681.6, 0.0031082/step, 0.811758 hours remaining, 235.480469 MB of memory in use. ENERGY: 4059800 4049.0026 20676.4477 14448.7099 263.6230 -203296.0628 2638.9337 0.0000 0.0000 52271.1256 -108948.2202 300.4029 -161219.3458 -108588.2197 299.7758 -188.3988 -164.8722 763044.7602 15.7020 15.6103 PRESSURE: 4060000 -153.428 67.7907 -237.916 67.7902 261.52 -237.398 -237.915 -237.398 -36.8382 GPRESSURE: 4060000 -36.068 74.0866 -185.943 28.599 265.408 -258.562 -151.014 -160.809 -68.9071 PRESSAVG: 4060000 -39.796 1.43436 6.75254 1.43441 35.2501 -41.7348 6.75251 -41.7349 -7.47972 GPRESSAVG: 4060000 -40.0824 0.00873029 5.01573 5.71158 34.2728 -39.9565 9.35372 -43.6259 -6.4088 TIMING: 4060000 CPU: 12682.2, 0.00311533/step Wall: 12682.2, 0.00311533/step, 0.813447 hours remaining, 235.480469 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: 4060000 4012.5498 20618.3220 14507.2195 248.6094 -203127.8004 2835.5793 0.0000 0.0000 52159.2296 -108746.2907 299.7598 -160905.5202 -108384.8707 300.2262 23.7513 53.4775 763574.6134 -4.0085 -4.0728 PRESSURE: 4060200 -8.59384 -180.934 33.0723 -180.934 252.327 -105.103 33.0718 -105.103 121.801 GPRESSURE: 4060200 18.8547 -123.669 -8.64203 -112.263 333.552 -71.12 15.885 -49.8577 85.0333 PRESSAVG: 4060200 -33.3847 25.1067 0.24618 25.1067 34.0686 -76.4625 0.246114 -76.4624 3.45427 GPRESSAVG: 4060200 -33.092 24.2245 0.224875 22.4702 34.4243 -79.3068 0.127993 -73.891 2.70712 TIMING: 4060200 CPU: 12682.8, 0.00312864/step Wall: 12682.8, 0.00312864/step, 0.81675 hours remaining, 235.480469 MB of memory in use. ENERGY: 4060200 3991.9720 20600.8812 14444.8429 253.6549 -203140.6872 2834.9023 0.0000 0.0000 52067.8794 -108946.5544 299.2348 -161014.4338 -108582.3479 300.1821 121.8449 145.8132 762261.0546 1.3794 1.3465 LDB: ============= START OF LOAD BALANCING ============== 12695.3 LDB: ============== END OF LOAD BALANCING =============== 12695.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12695.3 LDB: ============= START OF LOAD BALANCING ============== 12695.6 LDB: Largest compute 7048 load 0.028987 is 14.8% of average load 0.195318 LDB: Average compute 0.004390 is 2.2% of average load 0.195318 LDB: TIME 12695.6 LOAD: AVG 0.195318 MAX 0.217921 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.262 MB LDB: TIME 12695.6 LOAD: AVG 0.195318 MAX 0.217921 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.465 MB LDB: TIME 12695.6 LOAD: AVG 0.195318 MAX 0.217921 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.465 MB LDB: ============== END OF LOAD BALANCING =============== 12695.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12695.6 PRESSURE: 4060400 266.142 55.4791 -110.572 55.4791 -160.515 -239.865 -110.572 -239.865 -188.722 GPRESSURE: 4060400 189.881 -40.3739 -78.1579 153.962 -38.5604 -269.803 -256.963 -233.165 -128.522 PRESSAVG: 4060400 52.4827 -1.47407 9.63487 -1.47409 8.04105 -69.4086 9.63486 -69.4085 11.42 GPRESSAVG: 4060400 51.4323 -1.87098 9.01218 -0.530176 8.85802 -69.2898 9.81867 -70.5047 11.6821 TIMING: 4060400 CPU: 12683.5, 0.00319074/step Wall: 12683.5, 0.00319074/step, 0.832784 hours remaining, 234.320312 MB of memory in use. ENERGY: 4060400 3975.2238 20467.4141 14421.4538 253.0004 -203042.2434 2501.8187 0.0000 0.0000 52369.9635 -109053.3691 300.9709 -161423.3325 -108680.1165 299.7969 -27.6985 7.5994 761536.8725 23.9813 23.9908 PRESSURE: 4060600 -162.972 96.7825 -153.52 96.7826 -94.7167 114.206 -153.52 114.206 -12.8686 GPRESSURE: 4060600 -169.71 46.0593 -91.541 134.467 -5.18525 142.819 -237.75 137.772 -21.5892 PRESSAVG: 4060600 65.4511 -3.5104 -4.33971 -3.51032 -54.3126 -77.2443 -4.33972 -77.2444 -7.18105 GPRESSAVG: 4060600 66.3776 -3.27862 -3.66697 -2.96236 -55.563 -77.8189 -4.70581 -77.076 -7.04265 TIMING: 4060600 CPU: 12684.1, 0.00310626/step Wall: 12684.1, 0.00310626/step, 0.810561 hours remaining, 234.320312 MB of memory in use. ENERGY: 4060600 4068.8788 20497.1468 14398.5069 235.5410 -203247.4692 2753.6051 0.0000 0.0000 52121.8376 -109171.9531 299.5449 -161293.7907 -108810.2942 299.5474 -90.1859 -65.4950 763002.1101 1.3192 1.2573 PRESSURE: 4060800 129.947 -224.09 14.029 -224.089 509.245 -81.4608 14.0288 -81.4609 429.624 GPRESSURE: 4060800 131.909 -152.519 -12.6425 -356.914 540.977 -141.485 -34.3777 -79.331 470.877 PRESSAVG: 4060800 31.7357 -31.7281 -2.96268 -31.7281 -13.3463 -28.8071 -2.9627 -28.8071 19.2663 GPRESSAVG: 4060800 31.4669 -33.0558 -3.76689 -32.0983 -13.289 -27.9423 -3.19615 -29.4244 19.1187 TIMING: 4060800 CPU: 12684.7, 0.00311222/step Wall: 12684.7, 0.00311222/step, 0.811942 hours remaining, 234.320312 MB of memory in use. ENERGY: 4060800 3894.4786 20592.5661 14413.7582 265.4242 -203284.2284 3016.6955 0.0000 0.0000 51935.8110 -109165.4949 298.4758 -161101.3059 -108796.5181 299.6283 356.2719 381.2543 761905.0652 12.5519 12.4322 PRESSURE: 4061000 -130.665 40.2215 -72.8491 40.2212 -296.429 -81.8988 -72.849 -81.8984 -112.341 GPRESSURE: 4061000 -112.404 146.682 -209.188 27.2118 -172.216 -83.2952 4.61559 -51.2602 -149.353 PRESSAVG: 4061000 18.7096 -4.33098 -33.5177 -4.33103 15.4827 -43.3782 -33.5177 -43.3782 12.9968 GPRESSAVG: 4061000 17.9022 -0.810078 -32.8922 -6.12287 15.4412 -44.1434 -32.9274 -43.2468 13.7725 TIMING: 4061000 CPU: 12685.3, 0.00310889/step Wall: 12685.3, 0.00310889/step, 0.810903 hours remaining, 234.320312 MB of memory in use. ENERGY: 4061000 3990.7166 20619.1421 14413.0894 243.5521 -203312.4947 2669.9231 0.0000 0.0000 52113.1042 -109262.9671 299.4947 -161376.0713 -108902.6458 299.3149 -179.8114 -144.6574 762342.6173 15.7297 15.7053 PRESSURE: 4061200 404.075 217.56 -64.8796 217.56 120.279 -209.795 -64.8796 -209.795 121.045 GPRESSURE: 4061200 352 152.515 -122.153 156.524 165.273 -173.268 73.4592 -185.545 207.197 PRESSAVG: 4061200 18.378 7.06375 -7.10017 7.06378 -28.704 35.026 -7.10025 35.0261 9.91171 GPRESSAVG: 4061200 18.5781 5.67537 -8.73279 8.1317 -28.7512 34.7095 -6.57549 34.1394 9.70736 TIMING: 4061200 CPU: 12686, 0.00310867/step Wall: 12686, 0.00310867/step, 0.810672 hours remaining, 234.320312 MB of memory in use. ENERGY: 4061200 4080.1720 20488.8657 14511.4531 259.0645 -203030.3011 2655.5777 0.0000 0.0000 51777.0766 -109258.0915 297.5636 -161035.1681 -108899.3846 299.0868 215.1329 241.4899 763322.3291 -0.1381 -0.1553 PRESSURE: 4061400 -159.928 122.231 -122.771 122.231 -539.969 -81.1255 -122.77 -81.1257 116.333 GPRESSURE: 4061400 -57.9933 10.7003 -225.086 98.2471 -521.551 -11.3363 20.1058 32.9734 72.042 PRESSAVG: 4061400 41.4326 6.72065 11.0643 6.72071 -49.4873 19.5769 11.0643 19.5769 -9.71065 GPRESSAVG: 4061400 41.057 6.3749 11.6628 4.38666 -48.2506 19.9876 11.4421 20.9835 -11.1945 TIMING: 4061400 CPU: 12686.6, 0.00310601/step Wall: 12686.6, 0.00310601/step, 0.809805 hours remaining, 234.320312 MB of memory in use. ENERGY: 4061400 3989.6529 20471.2200 14465.4038 259.6387 -202649.0184 2394.3057 0.0000 0.0000 51918.3300 -109150.4672 298.3754 -161068.7972 -108786.6871 298.9958 -194.5214 -169.1675 762652.9074 -5.9218 -6.1294 PRESSURE: 4061600 -507.243 -37.9196 13.2471 -37.9202 -102.577 215.774 13.2465 215.773 16.6786 GPRESSURE: 4061600 -389.67 -71.6687 -56.6665 -159.28 -131.155 199.758 -54.8537 209.461 -11.7192 PRESSAVG: 4061600 3.32388 6.71858 12.5098 6.71856 -19.9325 -17.1462 12.5098 -17.1462 8.64955 GPRESSAVG: 4061600 3.6549 5.75132 11.3871 6.05846 -21.4874 -16.9439 11.6188 -15.8724 9.65485 TIMING: 4061600 CPU: 12687.2, 0.00312241/step Wall: 12687.2, 0.00312241/step, 0.813909 hours remaining, 234.320312 MB of memory in use. ENERGY: 4061600 4016.7704 20448.2804 14479.2746 245.2179 -202902.5080 2648.6478 0.0000 0.0000 51791.3323 -109272.9844 297.6455 -161064.3168 -108912.8771 298.8176 -197.7136 -177.5146 762474.8551 -2.6530 -2.7259 PRESSURE: 4061800 207.582 326.922 -11.3521 326.922 -262.756 152.133 -11.3531 152.133 0.871453 GPRESSURE: 4061800 238.184 215.426 -49.1348 271.004 -283.089 89.237 -55.0698 -5.98893 63.8431 PRESSAVG: 4061800 -1.93476 2.61277 -22.7832 2.61278 -28.7198 -10.8114 -22.7831 -10.8114 -3.54751 GPRESSAVG: 4061800 -1.87388 2.29609 -20.5204 3.90529 -28.9913 -11.9702 -24.8511 -15.0032 -3.59923 TIMING: 4061800 CPU: 12687.8, 0.00310971/step Wall: 12687.8, 0.00310971/step, 0.810426 hours remaining, 234.320312 MB of memory in use. ENERGY: 4061800 4055.0988 20580.6652 14487.1925 253.8454 -202986.3234 2543.6350 0.0000 0.0000 51875.7259 -109190.1606 298.1305 -161065.8865 -108831.8430 299.0497 -18.1009 6.3128 762427.4587 -11.4007 -11.4881 PRESSURE: 4062000 -116.135 -36.7883 8.10368 -36.7878 76.5349 -27.9501 8.10328 -27.9513 392.919 GPRESSURE: 4062000 -103.078 10.6632 -38.4209 -97.8617 134.595 48.0332 72.3151 126.453 391.699 PRESSAVG: 4062000 13.9162 -8.7921 -10.6466 -8.7921 9.45659 15.502 -10.6467 15.5019 4.52288 GPRESSAVG: 4062000 13.5799 -6.70396 -11.5426 -10.5226 11.4358 15.8357 -8.87309 20.6349 2.76045 TIMING: 4062000 CPU: 12688.5, 0.00310974/step Wall: 12688.5, 0.00310974/step, 0.810259 hours remaining, 234.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4062000 4052.2243 20341.2848 14446.7808 258.0089 -203192.8124 2689.8928 0.0000 0.0000 51901.3813 -109503.2395 298.2780 -161404.6207 -109143.6575 298.1162 117.7730 141.0721 763641.3715 9.2985 9.2587 PRESSURE: 4062200 17.7872 -140.278 42.8363 -140.278 -18.6331 139.7 42.837 139.7 54.1638 GPRESSURE: 4062200 -7.71038 -213.083 57.3018 -82.733 65.9326 101.881 3.90421 -23.1301 65.9019 PRESSAVG: 4062200 -2.98929 -52.2282 12.2632 -52.2283 22.6461 12.307 12.2632 12.307 -17.2098 GPRESSAVG: 4062200 -3.10421 -51.1954 12.8798 -50.4884 21.0523 12.9082 13.087 11.0263 -15.4479 TIMING: 4062200 CPU: 12689.1, 0.00310291/step Wall: 12689.1, 0.00310291/step, 0.808307 hours remaining, 234.320312 MB of memory in use. ENERGY: 4062200 4045.5456 20470.0158 14453.1738 230.5306 -203207.0012 2814.0015 0.0000 0.0000 51688.6923 -109505.0417 297.0556 -161193.7340 -109140.9249 298.0785 17.7726 41.3747 764778.0470 0.8157 0.8334 PRESSURE: 4062400 29.1052 -30.6105 -17.3879 -30.6115 -133.49 -62.7607 -17.3882 -62.7606 -355.044 GPRESSURE: 4062400 72.8016 -117.375 -0.69817 -2.23628 -83.9187 -71.5297 4.6287 -10.0745 -372.938 PRESSAVG: 4062400 46.3461 -5.91886 -14.1179 -5.91885 -17.4027 -41.7175 -14.1179 -41.7174 44.023 GPRESSAVG: 4062400 47.1277 -7.66378 -16.626 -6.84587 -16.9976 -42.2626 -14.3058 -42.0348 42.997 TIMING: 4062400 CPU: 12689.7, 0.00309235/step Wall: 12689.7, 0.00309235/step, 0.805384 hours remaining, 234.320312 MB of memory in use. ENERGY: 4062400 4020.6600 20516.0163 14386.0290 239.6456 -202764.8433 2444.4769 0.0000 0.0000 51451.3151 -109706.7005 295.6914 -161158.0156 -109342.4229 298.1016 -153.1429 -128.0183 765124.5075 24.3221 24.3757 PRESSURE: 4062600 -329.431 47.3117 10.1906 47.3107 -84.8678 159.706 10.1901 159.706 -62.4247 GPRESSURE: 4062600 -321.934 43.0896 -5.48174 -23.2583 -40.8703 189.585 73.3356 139.916 -25.0228 PRESSAVG: 4062600 33.5099 -15.855 -5.09552 -15.855 -28.2461 -12.3663 -5.0956 -12.3664 20.8656 GPRESSAVG: 4062600 32.4662 -15.9418 -3.55087 -17.6704 -27.4646 -13.1785 -4.74064 -12.1014 21.3598 TIMING: 4062600 CPU: 12690.3, 0.00310348/step Wall: 12690.3, 0.00310348/step, 0.808111 hours remaining, 234.320312 MB of memory in use. ENERGY: 4062600 3987.8625 20316.4814 14531.4976 245.4275 -203449.4733 2814.0444 0.0000 0.0000 51825.5898 -109728.5700 297.8424 -161554.1598 -109365.5984 297.7600 -158.9079 -129.2757 763568.7840 8.7098 8.7871 PRESSURE: 4062800 38.989 58.927 49.3983 58.9274 -30.4598 -87.0712 49.3993 -87.0717 -202.493 GPRESSURE: 4062800 29.228 72.2745 -43.5296 -51.453 55.1957 -98.4125 185.555 -75.701 -179.974 PRESSAVG: 4062800 -40.3669 23.8577 -57.7319 23.8576 10.8165 -42.3772 -57.7319 -42.3772 -2.96697 GPRESSAVG: 4062800 -39.6992 23.2328 -59.9871 25.7812 9.76065 -43.8075 -57.9061 -42.3418 -2.53613 TIMING: 4062800 CPU: 12690.9, 0.00309736/step Wall: 12690.9, 0.00309736/step, 0.806346 hours remaining, 234.320312 MB of memory in use. ENERGY: 4062800 4058.2737 20366.4297 14367.1577 241.4523 -203515.4374 2908.5750 0.0000 0.0000 52149.6250 -109423.9240 299.7046 -161573.5490 -109056.1771 298.1076 -64.6547 -31.8501 763447.0082 -10.8391 -10.8249 PRESSURE: 4063000 -124.47 -119.376 -2.47584 -119.375 49.8531 -27.2644 -2.47448 -27.2639 209.973 GPRESSURE: 4063000 13.4847 -121.419 56.2334 -116.711 73.2132 -9.70662 27.6729 44.8612 130.516 PRESSAVG: 4063000 -2.14639 14.2399 -24.9011 14.2398 -1.59029 40.9426 -24.9011 40.9425 -11.024 GPRESSAVG: 4063000 -1.42811 13.0232 -22.532 13.0317 -1.13578 43.111 -26.1147 40.8743 -12.3464 TIMING: 4063000 CPU: 12691.6, 0.00310361/step Wall: 12691.6, 0.00310361/step, 0.8078 hours remaining, 234.320312 MB of memory in use. ENERGY: 4063000 3941.5431 20529.0698 14469.5560 258.4646 -203541.6476 2832.0133 0.0000 0.0000 52107.7428 -109403.2578 299.4639 -161511.0007 -109045.3966 298.9506 45.1186 72.4047 761625.7508 -4.9202 -4.9701 PRESSURE: 4063200 -109.052 -4.25052 53.7104 -4.25044 -111.53 129.811 53.7103 129.811 313.061 GPRESSURE: 4063200 -26.3564 -47.7415 110.007 72.3605 -85.2965 165.323 -74.2182 106.974 321.649 PRESSAVG: 4063200 -2.46253 49.0912 -66.6006 49.0912 -41.3203 35.8269 -66.6005 35.8269 21.7592 GPRESSAVG: 4063200 -3.01423 49.0123 -66.2731 48.8088 -42.2215 35.3733 -66.0173 34.4936 23.0006 TIMING: 4063200 CPU: 12692.2, 0.00311311/step Wall: 12692.2, 0.00311311/step, 0.8101 hours remaining, 234.320312 MB of memory in use. ENERGY: 4063200 4002.6637 20330.6812 14510.5679 237.1370 -202788.7422 2469.6004 0.0000 0.0000 51977.8969 -109260.1952 298.7177 -161238.0921 -108894.7824 298.7737 30.8264 69.9987 762865.3950 -7.3412 -7.4117 PRESSURE: 4063400 -4.61454 -4.35708 -115.144 -4.3581 -26.9639 -79.2818 -115.143 -79.2816 -75.4615 GPRESSURE: 4063400 -1.81304 -52.0912 -122.791 -3.60786 27.2128 -147.604 -24.4734 -115.606 -57.6428 PRESSAVG: 4063400 -12.0348 75.1355 -43.0316 75.1355 56.7549 -13.1993 -43.0315 -13.1993 16.7994 GPRESSAVG: 4063400 -12.7799 74.3881 -44.6494 75.8088 56.9044 -13.8508 -42.6223 -12.9436 17.2896 TIMING: 4063400 CPU: 12692.8, 0.00310503/step Wall: 12692.8, 0.00310503/step, 0.807826 hours remaining, 234.320312 MB of memory in use. ENERGY: 4063400 3917.1444 20588.3217 14507.4549 254.4771 -203086.1887 2758.2217 0.0000 0.0000 51974.4950 -109086.0739 298.6981 -161060.5689 -108735.8060 299.1677 -35.6800 -10.7477 763153.5550 20.5065 20.4714 PRESSURE: 4063600 7.55546 98.1416 -174.328 98.143 -302.612 -325.286 -174.327 -325.286 396.793 GPRESSURE: 4063600 111.971 53.4279 -119.685 63.9034 -271.558 -283.753 -194.839 -230.404 336.154 PRESSAVG: 4063600 3.30346 42.6372 -49.9765 42.6373 -44.905 34.1794 -49.9765 34.1794 -11.5413 GPRESSAVG: 4063600 3.40174 44.1465 -48.241 41.9897 -43.4141 34.7839 -50.0244 33.3062 -12.5789 TIMING: 4063600 CPU: 12693.4, 0.00309066/step Wall: 12693.4, 0.00309066/step, 0.803914 hours remaining, 234.320312 MB of memory in use. ENERGY: 4063600 4005.0646 20546.4474 14550.6807 223.6182 -202848.7350 2598.5215 0.0000 0.0000 51957.8453 -108966.5573 298.6025 -160924.4026 -108614.5364 299.1616 33.9123 58.8557 763070.7716 -17.7143 -17.5304 PRESSURE: 4063800 -177.492 -2.04984 -15.8218 -2.0503 -85.4231 -257.691 -15.8218 -257.691 77.0303 GPRESSURE: 4063800 -121.611 -160.889 -50.0995 28.7994 -93.1416 -291.386 67.3363 -159.936 115.639 PRESSAVG: 4063800 -0.228441 36.9181 -11.0331 36.9181 34.8562 -15.8919 -11.033 -15.8919 12.2607 GPRESSAVG: 4063800 0.26157 33.5953 -12.702 39.1863 32.916 -16.5016 -11.4016 -15.0919 13.1451 TIMING: 4063800 CPU: 12694, 0.00308797/step Wall: 12694, 0.00308797/step, 0.803044 hours remaining, 234.320312 MB of memory in use. ENERGY: 4063800 3949.1890 20459.2012 14481.3322 244.7291 -202730.2781 2510.2183 0.0000 0.0000 52136.3344 -108949.2739 299.6282 -161085.6083 -108572.7945 299.2808 -61.9615 -33.0379 765880.4296 15.6295 15.4409 PRESSURE: 4064000 -143.44 -329.071 133.603 -329.071 -32.9346 109.177 133.602 109.177 -172.616 GPRESSURE: 4064000 -86.4579 -271.287 110.828 -347.188 17.2575 14.2928 50.4069 150.257 -183.203 PRESSAVG: 4064000 22.8354 -15.8559 -3.91453 -15.856 -23.2598 -25.8804 -3.91454 -25.8804 -3.17208 GPRESSAVG: 4064000 22.9151 -12.9397 -2.77283 -19.6411 -23.3393 -26.2947 -3.76933 -24.4299 -3.12042 TIMING: 4064000 CPU: 12694.7, 0.00310178/step Wall: 12694.7, 0.00310178/step, 0.806462 hours remaining, 234.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4064000 4048.3649 20495.2620 14498.0497 241.6834 -202957.0044 2524.5236 0.0000 0.0000 52367.0749 -108782.0460 300.9543 -161149.1209 -108419.0760 299.9969 -116.3302 -84.1345 763562.9805 -1.1988 -1.1815 PRESSURE: 4064200 92.8934 -102.352 -58.0144 -102.351 -67.2247 2.79922 -58.0137 2.79948 -231.482 GPRESSURE: 4064200 83.062 -66.4522 -67.2515 -156.46 -78.4685 -49.6681 -35.4079 35.8683 -145.038 PRESSAVG: 4064200 25.5581 9.44799 5.2851 9.44804 -70.7526 -28.4443 5.28512 -28.4442 -4.53665 GPRESSAVG: 4064200 25.8603 8.80018 4.21538 12.3794 -70.9508 -26.8673 5.37272 -30.3399 -4.28986 TIMING: 4064200 CPU: 12695.3, 0.00309015/step Wall: 12695.3, 0.00309015/step, 0.803267 hours remaining, 234.320312 MB of memory in use. ENERGY: 4064200 3977.6423 20490.4708 14493.7636 241.0196 -202781.2944 2683.7123 0.0000 0.0000 52046.2521 -108848.4337 299.1105 -160894.6858 -108482.6982 300.1790 -68.6045 -46.8149 765074.9979 -16.5770 -16.4601 LDB: ============= START OF LOAD BALANCING ============== 12707.8 LDB: ============== END OF LOAD BALANCING =============== 12707.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12707.8 LDB: ============= START OF LOAD BALANCING ============== 12708.1 LDB: Largest compute 6998 load 0.028804 is 14.8% of average load 0.195210 LDB: Average compute 0.004385 is 2.2% of average load 0.195210 LDB: TIME 12708.1 LOAD: AVG 0.19521 MAX 0.219591 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.52 MB LDB: TIME 12708.1 LOAD: AVG 0.19521 MAX 0.219591 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.52 MB LDB: TIME 12708.1 LOAD: AVG 0.19521 MAX 0.214079 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.52 MB LDB: ============== END OF LOAD BALANCING =============== 12708.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12708.1 PRESSURE: 4064400 100.875 -200.261 -95.3443 -200.261 -190.308 -116.288 -95.3437 -116.288 109.243 GPRESSURE: 4064400 131.84 -293.614 -13.4899 -228.38 -165.976 -142.373 -54.4054 -30.0285 127.081 PRESSAVG: 4064400 -25.9088 18.4153 -16.8871 18.4153 16.6696 -49.7162 -16.8871 -49.7163 23.9501 GPRESSAVG: 4064400 -26.402 18.0998 -15.4701 16.6059 18.2785 -50.2377 -16.8807 -50.9568 22.1536 TIMING: 4064400 CPU: 12695.9, 0.00315888/step Wall: 12695.9, 0.00315888/step, 0.820959 hours remaining, 235.410156 MB of memory in use. ENERGY: 4064400 3990.4838 20520.6050 14544.4552 253.7361 -203084.3776 2660.6243 0.0000 0.0000 52275.6697 -108838.8034 300.4290 -161114.4731 -108466.2703 300.2914 6.6034 30.9815 763693.3307 4.9036 4.6767 PRESSURE: 4064600 -158.472 63.9847 -6.59174 63.9848 21.0714 -190.388 -6.59104 -190.389 -300.776 GPRESSURE: 4064600 -144.795 59.4562 46.3601 87.5456 33.9499 -189.829 -65.1612 -181.933 -247.227 PRESSAVG: 4064600 -4.67024 -40.4174 -12.8546 -40.4173 9.33798 -29.591 -12.8545 -29.5909 -18.0874 GPRESSAVG: 4064600 -4.2208 -39.9689 -14.1861 -40.8001 8.52743 -28.091 -10.566 -27.907 -17.5599 TIMING: 4064600 CPU: 12696.5, 0.00309759/step Wall: 12696.5, 0.00309759/step, 0.804858 hours remaining, 235.410156 MB of memory in use. ENERGY: 4064600 4054.2677 20702.0634 14468.2381 249.3527 -202927.8772 2395.3330 0.0000 0.0000 51875.3732 -109183.2489 298.1285 -161058.6221 -108827.0890 299.4767 -146.0589 -119.3574 761416.1047 -4.4732 -4.4178 PRESSURE: 4064800 -36.973 130.78 -73.8019 130.781 129.93 266.007 -73.8022 266.008 -276.947 GPRESSURE: 4064800 36.1584 55.1592 -17.414 108.445 138.139 200.058 -60.2629 300.159 -280.143 PRESSAVG: 4064800 68.2756 -2.69276 25.1067 -2.69277 5.2553 -84.3306 25.1067 -84.3306 7.23142 GPRESSAVG: 4064800 68.8635 -3.60209 26.9843 -2.82155 4.36379 -84.6397 23.5238 -84.9096 8.62314 TIMING: 4064800 CPU: 12697.1, 0.00311711/step Wall: 12697.1, 0.00311711/step, 0.809756 hours remaining, 235.410156 MB of memory in use. ENERGY: 4064800 4001.6642 20627.0080 14451.6277 254.6037 -203189.5812 2631.7853 0.0000 0.0000 51857.4866 -109365.4057 298.0257 -161222.8923 -109005.0724 299.1890 -61.3300 -35.2818 761643.4209 26.9208 27.2835 PRESSURE: 4065000 -15.9816 -177.412 -192.944 -177.413 116.926 223.5 -192.946 223.499 -332.988 GPRESSURE: 4065000 49.3596 -201.721 -142.821 -124.88 87.9353 204.205 -153.793 295.798 -281.658 PRESSAVG: 4065000 -8.07172 7.68231 2.0167 7.68231 6.73314 -52.4868 2.0167 -52.4869 6.686 GPRESSAVG: 4065000 -7.8804 6.94273 0.0972452 10.0125 7.25002 -52.5362 1.12463 -51.9591 6.26237 TIMING: 4065000 CPU: 12697.8, 0.00309853/step Wall: 12697.8, 0.00309853/step, 0.804758 hours remaining, 235.410156 MB of memory in use. ENERGY: 4065000 4054.5531 20482.0648 14496.8471 249.7759 -203364.7829 2661.3842 0.0000 0.0000 52020.7118 -109399.4461 298.9637 -161420.1579 -109036.1492 299.0485 -77.3480 -48.1209 763285.4844 1.7825 1.8773 PRESSURE: 4065200 -134.829 50.9935 -12.1525 50.993 30.8627 -109.169 -12.1524 -109.171 -165.348 GPRESSURE: 4065200 59.6787 31.6249 -18.0311 -17.5346 -53.8875 -177.075 -149.188 -97.6856 -169.349 PRESSAVG: 4065200 2.94074 -25.9969 -90.8076 -25.9969 27.1369 0.0111606 -90.8076 0.0111618 -2.33369 GPRESSAVG: 4065200 4.0771 -26.374 -87.6197 -26.9322 26.8617 -1.90915 -91.5176 0.736151 -2.90727 TIMING: 4065200 CPU: 12698.4, 0.00310445/step Wall: 12698.4, 0.00310445/step, 0.806123 hours remaining, 235.410156 MB of memory in use. ENERGY: 4065200 3971.0993 20546.5370 14406.2009 239.5772 -203292.7361 2674.8790 0.0000 0.0000 52032.7434 -109421.6992 299.0329 -161454.4427 -109062.9998 298.5575 -89.7713 -54.5192 763772.8409 9.2480 9.3438 PRESSURE: 4065400 -123.02 -98.5059 35.5898 -98.5063 -49.6821 88.9888 35.5897 88.9891 221.882 GPRESSURE: 4065400 -133.456 -21.6813 -11.928 -65.383 73.1582 58.865 -31.2362 40.0652 200.372 PRESSAVG: 4065400 -75.8051 -98.712 -25.1801 -98.712 41.0844 -13.9493 -25.18 -13.9494 -26.8071 GPRESSAVG: 4065400 -76.636 -98.3153 -27.0824 -97.8112 41.4131 -12.1783 -24.544 -14.1576 -26.5324 TIMING: 4065400 CPU: 12699, 0.00311414/step Wall: 12699, 0.00311414/step, 0.808464 hours remaining, 235.410156 MB of memory in use. ENERGY: 4065400 3925.3284 20529.8686 14516.6262 246.7832 -203210.4621 2591.6057 0.0000 0.0000 52040.1265 -109360.1236 299.0753 -161400.2501 -108989.6666 298.8956 16.3932 46.6916 764045.4194 -20.5093 -20.5851 PRESSURE: 4065600 -222.756 120.786 157.937 120.787 -102.943 -81.9996 157.938 -82.0002 319.032 GPRESSURE: 4065600 -86.0118 -62.2694 114.666 96.4602 -116.059 -49.1552 15.9836 -162.825 293.529 PRESSAVG: 4065600 24.6755 42.1002 7.7838 42.1002 47.3641 -0.683441 7.78383 -0.683364 -2.45228 GPRESSAVG: 4065600 22.6781 42.055 6.264 42.0518 48.417 -3.00284 7.52441 -2.09902 -2.14539 TIMING: 4065600 CPU: 12699.6, 0.00311922/step Wall: 12699.6, 0.00311922/step, 0.809612 hours remaining, 235.410156 MB of memory in use. ENERGY: 4065600 3953.4436 20335.3413 14463.1926 239.4348 -203090.6933 2536.5995 0.0000 0.0000 52296.7327 -109265.9488 300.5500 -161562.6816 -108891.8113 298.6765 -2.2223 30.4859 763264.1005 23.1958 22.9832 PRESSURE: 4065800 374.367 -14.0582 196.809 -14.0589 206.558 26.4289 196.809 26.4288 77.9344 GPRESSURE: 4065800 432.176 -81.4633 264.681 21.9182 239.002 6.54711 269.451 -3.98729 81.082 PRESSAVG: 4065800 26.4745 48.9998 54.5576 48.9998 -37.5351 16.3839 54.5576 16.384 10.3167 GPRESSAVG: 4065800 28.224 48.409 56.3142 49.3849 -37.4724 19.1126 57.3979 15.2322 8.91657 TIMING: 4065800 CPU: 12700.3, 0.00311376/step Wall: 12700.3, 0.00311376/step, 0.808022 hours remaining, 235.410156 MB of memory in use. ENERGY: 4065800 3973.6414 20396.2102 14450.1787 256.9619 -203376.3223 2799.9989 0.0000 0.0000 52223.5284 -109275.8028 300.1293 -161499.3313 -108904.4257 299.2669 219.6201 250.7531 761782.4205 -0.2480 -0.1106 PRESSURE: 4066000 108.11 -142.694 243.33 -142.694 -509.678 22.1656 243.33 22.167 -74.5263 GPRESSURE: 4066000 79.958 -72.3936 171.505 -92.775 -402.803 -68.3471 270.024 23.8726 -79.6049 PRESSAVG: 4066000 69.8383 2.34001 7.28487 2.34003 -59.348 9.96801 7.28482 9.96807 -12.2995 GPRESSAVG: 4066000 70.9351 2.94645 5.67021 1.58775 -59.8942 8.69766 7.07829 11.374 -12.9613 TIMING: 4066000 CPU: 12700.9, 0.003107/step Wall: 12700.9, 0.003107/step, 0.806093 hours remaining, 235.410156 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: 4066000 3997.2310 20560.6521 14440.3117 254.3092 -203075.4730 2616.5643 0.0000 0.0000 51998.3640 -109208.0406 298.8353 -161206.4046 -108839.7786 299.1039 -158.6980 -134.1498 764095.7621 -0.6031 -0.6401 PRESSURE: 4066200 -183.564 -20.1068 -103.767 -20.1067 260.013 193.826 -103.767 193.826 -112.882 GPRESSURE: 4066200 -171.51 6.8106 -64.7222 93.6752 280.054 108.288 -183.36 174.731 -63.1372 PRESSAVG: 4066200 62.4603 4.66505 43.1661 4.66514 -34.1623 28.0854 43.166 28.0854 -39.1221 GPRESSAVG: 4066200 61.4488 5.36175 43.6223 5.11172 -34.9003 27.5363 41.5439 27.4822 -37.7258 TIMING: 4066200 CPU: 12701.5, 0.00310325/step Wall: 12701.5, 0.00310325/step, 0.804948 hours remaining, 235.410156 MB of memory in use. ENERGY: 4066200 4034.3932 20633.2652 14482.0407 232.3967 -203661.7288 2976.1412 0.0000 0.0000 52256.0184 -109047.4734 300.3161 -161303.4918 -108680.2794 299.5200 -12.1442 15.1355 763559.3628 -3.6080 -3.7258 PRESSURE: 4066400 -295.678 100.52 69.646 100.52 -19.1102 16.5195 69.6461 16.5199 15.1106 GPRESSURE: 4066400 -263.894 22.2489 21.6774 0.415755 23.2181 20.8375 22.7201 41.8399 6.87932 PRESSAVG: 4066400 -39.4418 43.1651 22.2466 43.1651 32.8144 28.5655 22.2466 28.5656 0.731073 GPRESSAVG: 4066400 -39.672 41.8181 23.9442 41.832 33.0174 27.0962 22.6699 29.6986 0.23121 TIMING: 4066400 CPU: 12702.1, 0.00309498/step Wall: 12702.1, 0.00309498/step, 0.802631 hours remaining, 235.410156 MB of memory in use. ENERGY: 4066400 3932.2051 20546.8321 14552.5529 236.4868 -203157.3493 2694.4865 0.0000 0.0000 52355.6050 -108839.1808 300.8884 -161194.7858 -108478.2092 299.9967 -99.8926 -77.9320 763714.5261 -1.9655 -2.1411 PRESSURE: 4066600 272.515 -101.946 -73.5684 -101.945 -104.493 28.4967 -73.5686 28.4973 -380.269 GPRESSURE: 4066600 275.275 36.061 -60.3677 -46.3061 -47.7188 54.8623 -191.173 16.4239 -341.751 PRESSAVG: 4066600 -47.5683 -0.74402 -37.4068 -0.744031 7.44332 28.5973 -37.4067 28.5973 -12.9089 GPRESSAVG: 4066600 -48.6704 1.17699 -38.6332 0.408439 7.61292 29.4691 -40.8299 31.0876 -13.0874 TIMING: 4066600 CPU: 12702.7, 0.00310678/step Wall: 12702.7, 0.00310678/step, 0.805518 hours remaining, 235.410156 MB of memory in use. ENERGY: 4066600 4033.0183 20697.8942 14497.2610 247.7099 -202910.7196 2729.5512 0.0000 0.0000 52147.0217 -108558.2634 299.6897 -160705.2851 -108189.9619 300.6728 -70.7491 -38.0648 763013.7749 -17.6780 -18.0483 PRESSURE: 4066800 159.752 -174.696 -19.0169 -174.695 200.358 153.537 -19.0172 153.537 12.0351 GPRESSURE: 4066800 236.216 -120.055 14.4285 -250.404 238.053 106.407 10.0455 90.8273 -23.2626 PRESSAVG: 4066800 -40.3037 47.9325 -15.7969 47.9325 30.6973 -19.7753 -15.7969 -19.7754 33.4875 GPRESSAVG: 4066800 -39.9816 49.042 -18.5644 46.3702 31.1442 -17.8503 -10.8219 -23.4236 32.9721 TIMING: 4066800 CPU: 12703.4, 0.00312645/step Wall: 12703.4, 0.00312645/step, 0.810445 hours remaining, 235.410156 MB of memory in use. ENERGY: 4066800 4015.2953 20592.0920 14486.7546 246.0395 -202593.3094 2413.8786 0.0000 0.0000 52157.0764 -108682.1730 299.7474 -160839.2493 -108312.9515 300.0363 124.0484 150.3352 765456.6952 7.9603 8.0449 PRESSURE: 4067000 149.176 -195.413 -191.435 -195.413 45.5593 253.226 -191.434 253.225 -53.8402 GPRESSURE: 4067000 212.255 -293.248 -184.419 -141.805 67.415 261.292 -185.074 133.667 -53.839 PRESSAVG: 4067000 -40.7903 -37.9645 8.11388 -37.9645 44.8449 -13.8749 8.11398 -13.8749 1.93429 GPRESSAVG: 4067000 -40.01 -42.788 10.6906 -35.4321 44.6495 -14.9445 6.55805 -13.8561 1.7012 TIMING: 4067000 CPU: 12704, 0.00311806/step Wall: 12704, 0.00311806/step, 0.808098 hours remaining, 235.410156 MB of memory in use. ENERGY: 4067000 3968.8582 20613.1516 14577.0292 225.3954 -203219.7520 2885.4793 0.0000 0.0000 52254.8376 -108695.0006 300.3093 -160949.8383 -108328.7738 300.4871 46.9650 75.2771 763286.2717 1.9963 2.1136 PRESSURE: 4067200 -262.127 55.512 -15.4782 55.5129 -292.588 246.1 -15.4794 246.099 191.099 GPRESSURE: 4067200 -156.517 58.1804 31.8141 -58.4712 -232.275 292.087 18.4358 200.815 109.37 PRESSAVG: 4067200 27.7856 -26.488 -21.7707 -26.4881 -10.2874 -12.0539 -21.7707 -12.0539 -6.13131 GPRESSAVG: 4067200 27.3974 -23.5 -22.2792 -27.5547 -10.8725 -11.3323 -21.4238 -11.4557 -5.2448 TIMING: 4067200 CPU: 12704.6, 0.00311574/step Wall: 12704.6, 0.00311574/step, 0.807323 hours remaining, 235.410156 MB of memory in use. ENERGY: 4067200 3957.7557 20571.8323 14528.3072 256.3696 -202990.1510 2603.6880 0.0000 0.0000 52452.0614 -108620.1368 301.4427 -161072.1982 -108244.7725 299.8911 -121.2054 -93.1406 764878.4570 3.7890 3.7600 PRESSURE: 4067400 149.621 -194.79 -74.6359 -194.79 -169.515 -267.762 -74.6368 -267.761 90.9194 GPRESSURE: 4067400 100.416 -249.716 -111.004 -206.44 -94.4209 -311.484 -100.24 -156.017 155.398 PRESSAVG: 4067400 46.0934 -30.6693 10.9505 -30.6693 -43.6613 -6.55486 10.9504 -6.55481 -14.5395 GPRESSAVG: 4067400 46.2852 -31.8306 12.1439 -29.5656 -43.3204 -6.99832 8.96335 -6.11501 -14.6289 TIMING: 4067400 CPU: 12705.2, 0.00311607/step Wall: 12705.2, 0.00311607/step, 0.807236 hours remaining, 235.410156 MB of memory in use. ENERGY: 4067400 3936.7582 20563.8299 14615.7349 258.3096 -202970.6195 2657.8723 0.0000 0.0000 52300.0584 -108638.0563 300.5692 -160938.1147 -108278.2215 300.4458 23.6752 53.7976 764455.5428 -4.0358 -3.8880 PRESSURE: 4067600 -5.12626 -113.811 173.631 -113.811 -68.4876 -47.7826 173.63 -47.783 222.767 GPRESSURE: 4067600 -52.0471 -153.682 228.548 -29.4165 -60.391 29.6558 96.5759 -53.9955 337.571 PRESSAVG: 4067600 39.1021 -47.9699 14.5608 -47.97 -20.8427 -2.93926 14.5608 -2.93926 -6.37305 GPRESSAVG: 4067600 39.2607 -48.1746 14.7888 -47.6303 -21.3839 -2.44156 15.5472 -4.79888 -5.56262 TIMING: 4067600 CPU: 12705.9, 0.00311487/step Wall: 12705.9, 0.00311487/step, 0.806752 hours remaining, 235.410156 MB of memory in use. ENERGY: 4067600 4004.3413 20821.9508 14520.1669 252.1560 -203376.9324 2937.3379 0.0000 0.0000 52256.6794 -108584.2999 300.3199 -160840.9794 -108220.7728 301.1502 49.7179 75.0442 764964.8667 3.9621 4.1047 PRESSURE: 4067800 158.516 -82.7476 -89.3316 -82.7485 -120.192 -207.319 -89.332 -207.32 3.34544 GPRESSURE: 4067800 218.865 -42.3848 -64.1406 46.7367 -112.291 -128.286 -86.1108 -98.8698 20.1776 PRESSAVG: 4067800 93.1845 -31.1474 40.6396 -31.1474 -130.362 -37.147 40.6396 -37.147 14.5992 GPRESSAVG: 4067800 92.3425 -29.6185 41.2675 -35.1775 -129.696 -38.1171 42.3382 -35.9992 14.9735 TIMING: 4067800 CPU: 12706.5, 0.00313174/step Wall: 12706.5, 0.00313174/step, 0.810948 hours remaining, 235.410156 MB of memory in use. ENERGY: 4067800 4079.2059 20728.3822 14471.2152 263.6875 -202866.4898 2615.0458 0.0000 0.0000 52251.2425 -108457.7107 300.2886 -160708.9532 -108095.8308 300.9338 13.8899 42.2506 765145.2648 -7.5261 -7.4601 PRESSURE: 4068000 -192.475 -23.7506 57.7889 -23.751 58.3045 220.081 57.7877 220.082 -291.807 GPRESSURE: 4068000 -126.925 -72.9535 -1.09952 11.6123 18.8201 186.622 132.587 283.183 -235.89 PRESSAVG: 4068000 -19.6162 6.62559 6.4555 6.62559 13.3617 30.0713 6.45549 30.0713 6.01057 GPRESSAVG: 4068000 -18.3876 8.62453 6.10284 7.44312 13.3194 29.0947 4.49707 32.5999 5.03595 TIMING: 4068000 CPU: 12707.1, 0.00311413/step Wall: 12707.1, 0.00311413/step, 0.806214 hours remaining, 235.410156 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: 4068000 4072.5078 20840.3094 14556.0821 264.2678 -203095.0219 2752.3225 0.0000 0.0000 52187.1203 -108422.4120 299.9201 -160609.5323 -108065.2401 301.2274 -141.9925 -114.6649 764498.1417 -0.0813 -0.0108 PRESSURE: 4068200 98.5045 -158.129 -27.4373 -158.13 -145.266 143.027 -27.4375 143.026 -275.15 GPRESSURE: 4068200 28.0172 -172.419 63.2932 -152.4 13.1727 102.268 -108.111 216.37 -285.935 PRESSAVG: 4068200 35.7739 -82.4694 -8.10586 -82.4694 -2.6752 25.8682 -8.10588 25.8682 0.710777 GPRESSAVG: 4068200 35.5563 -84.6425 -9.85027 -82.0747 -2.8626 25.5239 -6.93626 25.0464 0.954861 TIMING: 4068200 CPU: 12707.7, 0.00310756/step Wall: 12707.7, 0.00310756/step, 0.804339 hours remaining, 235.410156 MB of memory in use. ENERGY: 4068200 4032.8046 20554.8345 14473.4756 256.5497 -202539.1193 2453.8389 0.0000 0.0000 52321.1501 -108446.4658 300.6904 -160767.6158 -108078.3732 300.8926 -107.3041 -81.5817 764642.3476 11.2698 11.2162 LDB: ============= START OF LOAD BALANCING ============== 12720.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12720.2 LDB: =============== DONE WITH MIGRATION ================ 12720.2 LDB: ============= START OF LOAD BALANCING ============== 12720.5 LDB: Largest compute 6989 load 0.029315 is 15.0% of average load 0.195330 LDB: Average compute 0.004396 is 2.3% of average load 0.195330 LDB: TIME 12720.5 LOAD: AVG 0.19533 MAX 0.218189 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.316 MB LDB: TIME 12720.5 LOAD: AVG 0.19533 MAX 0.218189 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.316 MB LDB: TIME 12720.5 LOAD: AVG 0.19533 MAX 0.217286 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.316 MB LDB: ============== END OF LOAD BALANCING =============== 12720.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12720.5 PRESSURE: 4068400 3.14673 -77.9859 -152.683 -77.9861 -61.0238 0.746235 -152.683 0.745856 16.1923 GPRESSURE: 4068400 43.2196 -77.832 -129.269 19.9546 -60.9953 128.575 -9.91653 64.6736 94.9901 PRESSAVG: 4068400 38.0374 -30.1316 25.0058 -30.1316 -51.0847 25.6837 25.0059 25.6838 37.3368 GPRESSAVG: 4068400 38.8521 -29.5971 25.8367 -30.4498 -52.5459 25.8203 25.4457 25.244 38.3217 TIMING: 4068400 CPU: 12708.4, 0.0031835/step Wall: 12708.4, 0.0031835/step, 0.82382 hours remaining, 233.808594 MB of memory in use. ENERGY: 4068400 4101.5655 20537.0440 14501.9360 230.9257 -203199.8153 2894.0895 0.0000 0.0000 52415.1375 -108519.1170 301.2305 -160934.2545 -108157.7883 301.1477 -13.8949 25.7381 763167.6486 8.0965 8.2093 PRESSURE: 4068600 285.792 166.421 241.331 166.42 500.623 40.0818 241.331 40.0828 -176.9 GPRESSURE: 4068600 356.981 191.592 282.554 134.46 477.168 -58.8041 204.245 22.8786 -132.216 PRESSAVG: 4068600 27.5274 -32.3903 -0.303415 -32.3903 -34.4591 35.6789 -0.303375 35.6789 -4.1817 GPRESSAVG: 4068600 26.7202 -30.0059 -0.414042 -31.2913 -33.3806 37.1179 -0.82607 33.1759 -4.22283 TIMING: 4068600 CPU: 12709, 0.00311118/step Wall: 12709, 0.00311118/step, 0.804931 hours remaining, 233.953125 MB of memory in use. ENERGY: 4068600 4004.2480 20663.1762 14465.9068 240.4055 -202948.9379 2691.6842 0.0000 0.0000 52160.8209 -108722.6963 299.7690 -160883.5171 -108351.5240 300.6153 203.1716 233.9775 763102.1847 -3.7045 -3.6277 PRESSURE: 4068800 -4.57029 -173.542 167.637 -173.543 -273.601 -16.7712 167.638 -16.771 185.128 GPRESSURE: 4068800 -46.1268 -192.987 156.99 -136.024 -234.1 -96.8465 232.121 159.275 251.286 PRESSAVG: 4068800 64.5469 55.276 26.0855 55.276 -35.8501 -16.2 26.0855 -16.2 22.4238 GPRESSAVG: 4068800 64.8471 52.8382 24.7314 56.282 -35.3037 -18.6329 26.2035 -12.9426 21.4074 TIMING: 4068800 CPU: 12709.6, 0.00310937/step Wall: 12709.6, 0.00310937/step, 0.804289 hours remaining, 233.953125 MB of memory in use. ENERGY: 4068800 4060.3165 20808.1941 14470.2578 256.3954 -203164.3851 2720.8187 0.0000 0.0000 52199.5481 -108648.8544 299.9915 -160848.4025 -108297.3333 300.2594 -31.0143 -9.6471 764573.7498 17.0402 16.9836 PRESSURE: 4069000 172.269 74.9692 64.0178 74.9693 102.164 -23.5648 64.0185 -23.563 77.0983 GPRESSURE: 4069000 158.083 26.5689 68.558 -62.6285 93.1031 -66.1316 88.8643 -99.2055 174.316 PRESSAVG: 4069000 38.6204 22.1326 -39.725 22.1326 -55.3198 35.1585 -39.725 35.1586 2.58167 GPRESSAVG: 4069000 38.4223 21.324 -40.0212 22.3744 -55.6303 37.351 -41.287 32.9657 3.77122 TIMING: 4069000 CPU: 12710.2, 0.00309251/step Wall: 12710.2, 0.00309251/step, 0.799758 hours remaining, 233.953125 MB of memory in use. ENERGY: 4069000 3972.7048 20607.3161 14510.9519 226.8566 -203323.6713 3002.1926 0.0000 0.0000 52063.3847 -108940.2647 299.2090 -161003.6494 -108585.8886 300.0598 117.1772 141.8341 763799.4965 -4.7059 -4.4789 PRESSURE: 4069200 -26.7381 187.895 24.2691 187.895 -530.488 -196.508 24.2681 -196.507 254.726 GPRESSURE: 4069200 -4.71286 132.395 53.3056 258.747 -448.042 -102.986 -158.827 -217.553 219.435 PRESSAVG: 4069200 -24.5844 41.4347 -2.87046 41.4347 -12.345 1.27499 -2.87047 1.27506 -1.65113 GPRESSAVG: 4069200 -24.2302 42.5811 -2.02426 40.2649 -12.1483 0.854447 -1.29497 -0.441388 -2.34229 TIMING: 4069200 CPU: 12710.9, 0.00311341/step Wall: 12710.9, 0.00311341/step, 0.80499 hours remaining, 233.953125 MB of memory in use. ENERGY: 4069200 3990.3777 20521.6158 14458.5141 236.9527 -202853.5571 2596.7605 0.0000 0.0000 52036.5974 -109012.7389 299.0550 -161049.3363 -108653.9060 300.0982 -100.8334 -77.7730 763659.9147 -12.8602 -12.9069 PRESSURE: 4069400 188.717 -152.606 -7.77906 -152.606 -52.7259 -189.085 -7.77897 -189.083 81.9008 GPRESSURE: 4069400 259.535 -266.921 47.795 -138.045 -53.4382 -134.383 76.5502 -236.211 82.7316 PRESSAVG: 4069400 6.96826 20.6243 60.302 20.6244 -10.6888 17.6367 60.302 17.6368 -14.3991 GPRESSAVG: 4069400 6.5083 21.0691 60.9859 20.1646 -11.2716 16.9502 59.2892 18.608 -13.32 TIMING: 4069400 CPU: 12711.5, 0.00310272/step Wall: 12711.5, 0.00310272/step, 0.802054 hours remaining, 233.953125 MB of memory in use. ENERGY: 4069400 3972.5859 20559.2113 14486.7598 265.0496 -203562.2797 2834.5676 0.0000 0.0000 52109.0631 -109335.0424 299.4715 -161444.1055 -108981.4057 299.1736 72.6305 96.2761 761201.5450 -6.0399 -6.0277 PRESSURE: 4069600 113.948 85.3602 17.2074 85.36 247.329 90.3372 17.2065 90.336 329.815 GPRESSURE: 4069600 194.648 85.8934 32.3436 84.8822 287.097 190.873 6.88187 82.2021 277.245 PRESSAVG: 4069600 -8.01124 -37.4983 51.5018 -37.4983 22.7143 -21.4922 51.5018 -21.4921 -5.48156 GPRESSAVG: 4069600 -8.37008 -41.5574 52.4984 -34.4485 22.41 -20.9088 52.8277 -21.0028 -5.37881 TIMING: 4069600 CPU: 12712.1, 0.00310542/step Wall: 12712.1, 0.00310542/step, 0.802579 hours remaining, 233.953125 MB of memory in use. ENERGY: 4069600 3977.6793 20441.3460 14573.3301 238.4296 -203497.7987 2980.3071 0.0000 0.0000 51946.0221 -109340.6845 298.5345 -161286.7066 -108974.1444 298.8214 230.3639 252.9968 761565.5496 3.0738 2.8870 PRESSURE: 4069800 169.107 -34.7412 98.9254 -34.7415 289.317 -112.411 98.9255 -112.413 -101.533 GPRESSURE: 4069800 219.942 -183.765 173.212 45.8924 277.776 -128.504 126.977 -109.612 -66.192 PRESSAVG: 4069800 -66.4313 26.3324 15.167 26.3324 36.7771 -6.8377 15.167 -6.83776 -10.8545 GPRESSAVG: 4069800 -64.1883 30.3899 13.3213 23.5867 35.7787 -7.47157 12.9252 -6.10849 -11.5987 TIMING: 4069800 CPU: 12712.7, 0.00310059/step Wall: 12712.7, 0.00310059/step, 0.801159 hours remaining, 233.953125 MB of memory in use. ENERGY: 4069800 4034.6286 20442.9477 14443.5058 251.7880 -203504.0560 2964.2763 0.0000 0.0000 51887.3417 -109479.5679 298.1973 -161366.9096 -109117.9570 298.9295 118.9636 143.8422 762881.9820 -13.5029 -13.3361 PRESSURE: 4070000 -316.271 -113.88 112.287 -113.881 -245.188 94.2162 112.287 94.2169 -157.004 GPRESSURE: 4070000 -293.156 -46.0878 117.272 -85.2604 -162.966 47.8638 76.7589 159.579 -165.15 PRESSAVG: 4070000 -12.773 0.144963 70.1551 0.144982 -16.448 43.3925 70.1551 43.3926 -17.4503 GPRESSAVG: 4070000 -13.7673 -0.81249 70.3315 1.25495 -16.8341 41.9204 72.6195 46.5462 -16.1585 TIMING: 4070000 CPU: 12713.3, 0.00309964/step Wall: 12713.3, 0.00309964/step, 0.800741 hours remaining, 233.953125 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: 4070000 4033.0130 20519.2026 14453.6018 260.2937 -203364.3885 2716.3256 0.0000 0.0000 51914.6192 -109467.3326 298.3540 -161381.9518 -109109.1960 298.3499 -239.4876 -207.0904 763713.9318 -15.5571 -15.5867 PRESSURE: 4070200 -409.878 -1.46278 -143.331 -1.463 64.261 -133.209 -143.331 -133.209 -152.306 GPRESSURE: 4070200 -373.234 -17.4624 -211.782 27.7636 118.882 -249.77 -119.36 -88.7165 -164.636 PRESSAVG: 4070200 -46.3777 -31.5372 13.8211 -31.5372 19.6181 21.7332 13.8211 21.7331 39.0523 GPRESSAVG: 4070200 -46.5429 -30.8239 15.379 -31.0491 20.9943 21.8924 12.3898 17.5616 38.2003 TIMING: 4070200 CPU: 12714, 0.00310012/step Wall: 12714, 0.00310012/step, 0.800692 hours remaining, 233.953125 MB of memory in use. ENERGY: 4070200 4012.8034 20451.5149 14472.4123 253.3420 -203143.8351 2643.3744 0.0000 0.0000 52023.3881 -109287.0000 298.9791 -161310.3881 -108919.0675 299.1805 -165.9744 -139.6625 762659.8907 4.0976 4.2172 PRESSURE: 4070400 -109.94 119.617 119.839 119.618 -106.29 72.73 119.838 72.7302 -241.177 GPRESSURE: 4070400 -123.349 210.164 101.939 151.901 -1.46973 86.9405 73.5979 49.1646 -235.239 PRESSAVG: 4070400 -13.916 12.4215 -27.8568 12.4216 30.3673 38.7182 -27.8568 38.7181 16.2396 GPRESSAVG: 4070400 -13.9093 12.7756 -27.6741 13.457 30.5462 38.7425 -27.4066 39.7001 16.4269 TIMING: 4070400 CPU: 12714.6, 0.00311268/step Wall: 12714.6, 0.00311268/step, 0.803763 hours remaining, 233.953125 MB of memory in use. ENERGY: 4070400 4015.4864 20429.8213 14440.5287 233.9501 -203290.5905 2676.9842 0.0000 0.0000 52134.0022 -109359.8177 299.6148 -161493.8199 -108988.0755 299.3688 -152.4688 -120.0193 762768.6194 10.8969 11.0213 PRESSURE: 4070600 -69.5482 76.5001 -155.282 76.5006 108.483 -82.3549 -155.282 -82.3554 118.218 GPRESSURE: 4070600 -55.8803 37.5467 -103.834 -21.7654 176.755 -123.386 -89.6197 -88.0388 140.346 PRESSAVG: 4070600 -50.1476 31.5063 -10.3052 31.5064 43.4874 -18.7471 -10.3052 -18.7471 -12.5239 GPRESSAVG: 4070600 -49.9091 31.1771 -10.4416 30.85 44.5212 -18.3825 -10.1315 -19.0816 -13.3209 TIMING: 4070600 CPU: 12715.2, 0.00311252/step Wall: 12715.2, 0.00311252/step, 0.803549 hours remaining, 233.953125 MB of memory in use. ENERGY: 4070600 3958.1507 20523.0702 14478.7661 244.8326 -203294.8190 2854.1493 0.0000 0.0000 52044.1399 -109191.7102 299.0984 -161235.8501 -108815.6809 299.0692 52.3844 87.0734 760843.6078 -6.3947 -6.2363 PRESSURE: 4070800 -279.301 -152.039 168.969 -152.039 153.495 -118.695 168.969 -118.695 21.7976 GPRESSURE: 4070800 -182.935 -99.218 215.212 -162.313 99.6824 -148.881 -19.597 -74.2843 43.4511 PRESSAVG: 4070800 -68.346 -36.617 31.6572 -36.6169 64.3303 -13.6406 31.6572 -13.6406 -24.0946 GPRESSAVG: 4070800 -67.5605 -35.8147 32.3973 -36.2931 62.1646 -13.2078 32.3076 -14.6184 -23.5737 TIMING: 4070800 CPU: 12715.8, 0.00313112/step Wall: 12715.8, 0.00313112/step, 0.808176 hours remaining, 233.953125 MB of memory in use. ENERGY: 4070800 4033.3934 20467.5943 14392.1236 282.9011 -203136.5418 2720.8736 0.0000 0.0000 52076.3413 -109163.3145 299.2834 -161239.6557 -108807.3179 299.7552 -34.6697 -13.2672 762860.4643 -9.3701 -9.6565 PRESSURE: 4071000 152.306 -111.267 -101.599 -111.268 -124.945 -209.56 -101.599 -209.559 61.2926 GPRESSURE: 4071000 183.423 -157.419 -96.1024 -111.675 0.817027 -142.36 -138.516 -127.754 -9.24644 PRESSAVG: 4071000 18.1966 -49.1122 -9.15134 -49.1122 -52.0054 12.3966 -9.15125 12.3966 22.2637 GPRESSAVG: 4071000 16.9464 -49.343 -10.0802 -50.0983 -51.5957 13.6455 -10.1903 12.5923 23.0712 TIMING: 4071000 CPU: 12716.4, 0.00312077/step Wall: 12716.4, 0.00312077/step, 0.805331 hours remaining, 233.953125 MB of memory in use. ENERGY: 4071000 3993.1011 20586.0685 14499.7231 264.5166 -203282.5359 2615.3883 0.0000 0.0000 52167.5145 -109156.2239 299.8074 -161323.7383 -108801.4831 299.4757 29.5513 58.3311 762788.0738 -3.8484 -3.8594 PRESSURE: 4071200 -75.3953 -72.9896 39.3673 -72.9911 79.9827 -2.95401 39.3675 -2.95534 -59.6717 GPRESSURE: 4071200 -82.4416 0.204531 -74.4113 -2.49827 123.161 97.3508 19.8875 -27.5043 -28.0755 PRESSAVG: 4071200 -47.5345 -15.4956 -25.3368 -15.4956 52.8127 33.402 -25.3367 33.402 -8.85881 GPRESSAVG: 4071200 -45.3295 -15.1206 -25.0927 -14.2335 53.1172 31.9926 -27.2718 35.2594 -10.9924 TIMING: 4071200 CPU: 12717.1, 0.00311879/step Wall: 12717.1, 0.00311879/step, 0.804649 hours remaining, 233.953125 MB of memory in use. ENERGY: 4071200 3945.4025 20364.2345 14490.8899 247.4412 -203279.5535 2702.0804 0.0000 0.0000 52194.4802 -109335.0248 299.9624 -161529.5050 -108963.0992 299.1741 -18.3614 4.2148 762622.9647 -1.1935 -1.0682 PRESSURE: 4071400 -200.847 107.687 -84.0531 107.687 -35.0747 31.3695 -84.0529 31.369 165.678 GPRESSURE: 4071400 -125.365 23.7079 7.39726 27.9785 -51.6995 16.5756 -148.498 -56.3522 163.363 PRESSAVG: 4071400 -39.7408 -48.5115 4.63456 -48.5115 61.3055 15.2233 4.63452 15.2232 10.5665 GPRESSAVG: 4071400 -42.499 -49.1746 4.41159 -48.8837 61.5836 15.8555 5.71503 12.5774 12.4478 TIMING: 4071400 CPU: 12717.7, 0.00311569/step Wall: 12717.7, 0.00311569/step, 0.803675 hours remaining, 233.953125 MB of memory in use. ENERGY: 4071400 4021.6086 20651.2416 14445.5332 269.3555 -203368.6647 2825.9840 0.0000 0.0000 51708.0623 -109446.8796 297.1669 -161154.9419 -109096.2999 299.4236 -23.4148 -4.5674 762978.0220 10.7104 10.5108 PRESSURE: 4071600 277.887 -51.6223 2.98926 -51.6222 -348.211 -59.6474 2.9881 -59.6476 -292.266 GPRESSURE: 4071600 247.581 -13.5747 -3.04087 93.0158 -304.165 -131.233 17.4431 -99.7728 -218.792 PRESSAVG: 4071600 -60.4492 -22.667 -27.096 -22.667 13.0686 5.64037 -27.0959 5.64035 -4.45678 GPRESSAVG: 4071600 -59.3521 -23.1095 -27.8986 -22.9144 13.7685 3.67277 -26.0841 7.63623 -5.33288 TIMING: 4071600 CPU: 12718.3, 0.00311499/step Wall: 12718.3, 0.00311499/step, 0.80332 hours remaining, 233.953125 MB of memory in use. ENERGY: 4071600 3963.3394 20475.4324 14516.4103 270.5866 -203449.3056 2841.6252 0.0000 0.0000 52075.4072 -109306.5045 299.2781 -161381.9117 -108945.3530 298.6927 -120.8631 -91.7919 762853.6132 -17.2791 -16.9721 PRESSURE: 4071800 -200.64 -75.3342 -112.811 -75.335 -34.4905 35.7103 -112.811 35.7104 -261.364 GPRESSURE: 4071800 -185.68 -135.336 -58.7585 -34.3216 27.7493 82.8927 -144.732 2.66528 -271.983 PRESSAVG: 4071800 -41.8835 -33.9007 -60.8807 -33.9007 8.53777 46.1653 -60.8806 46.1653 -1.30246 GPRESSAVG: 4071800 -40.3562 -32.7878 -60.5759 -34.8865 6.98534 46.3361 -63.1139 46.4507 -1.4441 TIMING: 4071800 CPU: 12718.9, 0.00309783/step Wall: 12718.9, 0.00309783/step, 0.798724 hours remaining, 233.953125 MB of memory in use. ENERGY: 4071800 3992.2602 20610.9648 14477.0432 242.8165 -203430.4539 2683.9281 0.0000 0.0000 51877.7009 -109545.7404 298.1419 -161423.4413 -109188.4099 298.7038 -165.4982 -143.3047 763895.7173 -11.5494 -11.6050 PRESSURE: 4072000 -137.413 -97.1504 -151.952 -97.1506 -86.593 -18.6253 -151.952 -18.6257 -502.973 GPRESSURE: 4072000 -147.008 -164.876 -89.7315 -184.387 -6.50495 -5.12541 -236.736 -76.1495 -498.421 PRESSAVG: 4072000 -36.8913 -29.9805 -35.2035 -29.9806 59.8299 32.0929 -35.2035 32.0928 3.38645 GPRESSAVG: 4072000 -38.636 -32.1305 -33.8816 -27.8215 60.8398 33.2024 -34.3267 33.1891 4.20191 TIMING: 4072000 CPU: 12719.6, 0.00311695/step Wall: 12719.6, 0.00311695/step, 0.803481 hours remaining, 233.953125 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: 4072000 4011.4648 20435.4137 14521.9237 235.5085 -203855.8143 2816.6110 0.0000 0.0000 52101.0532 -109733.8394 299.4255 -161834.8925 -109376.9126 298.7534 -242.3261 -217.3113 761255.0909 8.7750 8.8019 PRESSURE: 4072200 186.164 29.8443 -112.176 29.8448 118.418 -61.3533 -112.177 -61.3517 111.638 GPRESSURE: 4072200 226.989 -6.42827 -124.134 200.038 181.483 -113.717 -319.938 -20.3907 85.0789 PRESSAVG: 4072200 -45.9949 -69.9 -52.8044 -69.9 44.3635 20.5635 -52.8043 20.5635 -18.6223 GPRESSAVG: 4072200 -46.5947 -69.7044 -52.207 -69.5099 45.0949 21.2811 -53.0242 17.2881 -18.4767 TIMING: 4072200 CPU: 12720.2, 0.00310574/step Wall: 12720.2, 0.00310574/step, 0.800418 hours remaining, 233.953125 MB of memory in use. ENERGY: 4072200 3960.4654 20379.8717 14582.9523 244.2680 -203454.0506 2844.8774 0.0000 0.0000 51567.0455 -109874.5703 296.3565 -161441.6158 -109516.8477 297.9250 138.7399 164.5167 762749.6766 -6.7512 -6.6588 LDB: ============= START OF LOAD BALANCING ============== 12732.7 LDB: ============== END OF LOAD BALANCING =============== 12732.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12732.7 LDB: ============= START OF LOAD BALANCING ============== 12733 LDB: Largest compute 7048 load 0.027862 is 14.3% of average load 0.195197 LDB: Average compute 0.004410 is 2.3% of average load 0.195197 LDB: TIME 12733 LOAD: AVG 0.195197 MAX 0.21559 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.773 MB LDB: TIME 12733 LOAD: AVG 0.195197 MAX 0.21559 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.867 MB LDB: TIME 12733 LOAD: AVG 0.195197 MAX 0.21559 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.867 MB LDB: ============== END OF LOAD BALANCING =============== 12733 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12733 PRESSURE: 4072400 -203.668 0.626115 -8.09364 0.625392 -73.6859 -108.041 -8.0941 -108.04 -40.5257 GPRESSURE: 4072400 -178.89 101.922 -4.34189 7.05238 -98.0599 -138.241 58.5244 -70.6673 43.9918 PRESSAVG: 4072400 -1.42006 -56.6651 -14.7869 -56.665 30.0572 25.4428 -14.787 25.4428 -0.190724 GPRESSAVG: 4072400 -1.23375 -55.368 -15.2361 -58.7886 29.6162 25.5769 -16.525 28.7502 0.452533 TIMING: 4072400 CPU: 12720.8, 0.00318037/step Wall: 12720.8, 0.00318037/step, 0.819476 hours remaining, 234.519531 MB of memory in use. ENERGY: 4072400 3974.6582 20491.6888 14489.4331 239.7738 -203450.9874 2462.0419 0.0000 0.0000 51870.7083 -109922.6833 298.1017 -161793.3916 -109564.4402 297.6896 -105.9599 -77.6528 762713.8677 9.4821 9.6117 PRESSURE: 4072600 -584.468 26.0179 47.0588 26.0172 -229.454 -13.161 47.0594 -13.1605 -215.463 GPRESSURE: 4072600 -528.933 -44.8184 97.6784 3.42004 -232.643 -79.2945 4.67005 -15.8448 -190.187 PRESSAVG: 4072600 -41.0854 -59.6155 12.8222 -59.6155 46.7751 8.57084 12.8222 8.57082 -0.703608 GPRESSAVG: 4072600 -40.7375 -60.1235 12.1609 -59.5515 48.1545 7.90228 15.2066 6.70593 -1.87684 TIMING: 4072600 CPU: 12721.4, 0.00311619/step Wall: 12721.4, 0.00311619/step, 0.802766 hours remaining, 234.843750 MB of memory in use. ENERGY: 4072600 4011.1505 20381.2264 14419.4960 272.1656 -203470.2059 2491.0594 0.0000 0.0000 51874.5009 -110020.6072 298.1235 -161895.1081 -109658.6280 297.7203 -343.1284 -317.2542 762563.7472 1.6620 1.8467 PRESSURE: 4072800 98.5363 -197.414 -28.5851 -197.415 111.041 205.362 -28.5854 205.362 -214.495 GPRESSURE: 4072800 171.771 -82.4199 -13.9128 -226.008 59.8497 220.137 29.7562 211.135 -163.26 PRESSAVG: 4072800 -37.3609 -44.3654 -9.80377 -44.3654 5.11325 54.1135 -9.8038 54.1136 2.54535 GPRESSAVG: 4072800 -37.7991 -42.6503 -7.80512 -44.6813 5.19029 54.7823 -12.671 54.4542 2.61467 TIMING: 4072800 CPU: 12722.1, 0.00311828/step Wall: 12722.1, 0.00311828/step, 0.803131 hours remaining, 234.843750 MB of memory in use. ENERGY: 4072800 3930.7240 20296.1966 14394.0175 237.9406 -203327.9934 2525.8621 0.0000 0.0000 51953.2547 -109989.9978 298.5761 -161943.2525 -109630.6038 297.7324 -1.6393 22.7869 760756.9680 -9.9008 -9.9981 PRESSURE: 4073000 -113.665 120.63 -167.053 120.629 148.745 -1.80933 -167.053 -1.80899 49.2444 GPRESSURE: 4073000 -122.016 54.6816 -200.829 107.977 179.785 -40.188 -33.0272 21.5859 110.963 PRESSAVG: 4073000 68.0009 0.606688 -16.9606 0.606689 2.60887 37.5096 -16.9606 37.5096 17.002 GPRESSAVG: 4073000 68.2675 -1.32459 -19.3233 0.0294176 2.24252 36.974 -14.3922 36.8925 17.4515 TIMING: 4073000 CPU: 12722.7, 0.00311732/step Wall: 12722.7, 0.00311732/step, 0.80271 hours remaining, 234.843750 MB of memory in use. ENERGY: 4073000 4022.9649 20433.3997 14432.9239 249.1208 -203051.7286 2449.2808 0.0000 0.0000 51776.4969 -109687.5417 297.5602 -161464.0386 -109339.1760 297.6693 28.1079 56.2441 761243.8646 29.2039 29.3205 PRESSURE: 4073200 -166.775 -23.4812 281.57 -23.4806 -205.571 -230.667 281.569 -230.667 376.005 GPRESSURE: 4073200 -128.656 -1.01131 298.657 -91.8626 -154.873 -147.973 209.978 -185.625 374.021 PRESSAVG: 4073200 13.1914 -2.03052 43.8995 -2.03053 -26.2157 15.3889 43.8995 15.389 25.0432 GPRESSAVG: 4073200 13.6777 -2.84886 44.1628 -1.9294 -26.6632 16.2455 43.4581 15.7189 24.9014 TIMING: 4073200 CPU: 12723.3, 0.00310093/step Wall: 12723.3, 0.00310093/step, 0.798317 hours remaining, 234.843750 MB of memory in use. ENERGY: 4073200 3928.9681 20360.8265 14496.7725 223.8933 -203312.0516 2560.4302 0.0000 0.0000 52027.7288 -109713.4322 299.0041 -161741.1610 -109341.7528 298.1974 1.2195 30.1638 763068.5952 4.0063 3.9720 PRESSURE: 4073400 -133.456 173.18 -139.211 173.18 42.6883 36.4256 -139.21 36.4254 96.4886 GPRESSURE: 4073400 -77.4907 193.854 -106.609 63.2796 54.1722 40.4165 -75.1854 75.3566 131.447 PRESSAVG: 4073400 -14.7517 -51.2235 14.8601 -51.2235 -27.6564 14.1934 14.86 14.1935 -8.09598 GPRESSAVG: 4073400 -15.0435 -49.529 15.2793 -52.2013 -27.2048 15.6159 14.9601 11.816 -8.42514 TIMING: 4073400 CPU: 12723.9, 0.00311625/step Wall: 12723.9, 0.00311625/step, 0.802089 hours remaining, 234.843750 MB of memory in use. ENERGY: 4073400 3937.1805 20406.5324 14501.6411 261.2336 -203436.2481 2623.3677 0.0000 0.0000 52111.6525 -109594.6403 299.4864 -161706.2928 -109228.5526 298.1896 1.9069 36.0430 762108.4161 -16.8347 -16.8912 PRESSURE: 4073600 128.54 -82.0195 -204.309 -82.0191 -71.9216 29.1868 -204.309 29.1885 -264.056 GPRESSURE: 4073600 134.306 -22.2095 -232.558 -222.5 -16.2333 4.44796 -57.9845 70.3877 -253.242 PRESSAVG: 4073600 -32.3962 -55.281 -12.3113 -55.281 78.4569 -20.8928 -12.3113 -20.8928 12.1356 GPRESSAVG: 4073600 -31.0576 -55.3374 -12.5978 -54.2472 77.6044 -23.5698 -11.586 -16.4945 11.1954 TIMING: 4073600 CPU: 12724.6, 0.0030981/step Wall: 12724.6, 0.0030981/step, 0.797244 hours remaining, 234.914062 MB of memory in use. ENERGY: 4073600 4031.3713 20527.2875 14429.7858 244.2191 -203297.6204 2751.6796 0.0000 0.0000 52068.0421 -109245.2350 299.2358 -161313.2771 -108878.1551 298.9464 -69.1459 -45.0566 763387.1992 19.3988 19.2474 PRESSURE: 4073800 90.2634 -24.72 -48.267 -24.72 11.5699 293.705 -48.2666 293.705 546.604 GPRESSURE: 4073800 131.66 12.7521 -37.6907 -13.545 66.7351 185.252 -239.716 205.658 517.159 PRESSAVG: 4073800 -30.439 -34.4031 -11.8187 -34.4031 61.3419 14.413 -11.8187 14.413 -14.796 GPRESSAVG: 4073800 -32.2223 -33.5245 -15.0029 -34.2864 61.4919 15.2612 -11.4911 11.3886 -12.9411 TIMING: 4073800 CPU: 12725.2, 0.00310834/step Wall: 12725.2, 0.00310834/step, 0.799706 hours remaining, 234.914062 MB of memory in use. ENERGY: 4073800 4030.8319 20545.4523 14450.2043 241.1549 -203436.6895 2832.9945 0.0000 0.0000 52154.0581 -109181.9936 299.7301 -161336.0517 -108821.3947 299.7512 216.1459 238.5181 761639.1712 5.3690 5.4428 PRESSURE: 4074000 -49.8248 -3.19403 -74.8141 -3.19425 -31.0179 -90.1783 -74.814 -90.177 84.6219 GPRESSURE: 4074000 63.7572 130.286 -95.265 -78.9931 9.82583 -35.9112 -53.0023 -25.1754 24.3713 PRESSAVG: 4074000 -49.1141 -58.8966 5.40617 -58.8966 52.8696 60.9455 5.40612 60.9456 25.0602 GPRESSAVG: 4074000 -49.0763 -59.9039 6.5542 -59.5955 54.496 61.9249 4.89073 61.2347 23.4152 TIMING: 4074000 CPU: 12725.8, 0.00311531/step Wall: 12725.8, 0.00311531/step, 0.801327 hours remaining, 234.914062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4074000 3932.3961 20548.0810 14479.4534 247.3794 -203338.5773 2583.8939 0.0000 0.0000 52467.0540 -109080.3195 301.5289 -161547.3735 -108717.9810 299.7341 1.2598 32.6514 763276.5413 9.6053 9.6116 PRESSURE: 4074200 337.789 55.8219 125.066 55.8217 -244.149 -120.997 125.065 -120.997 179.429 GPRESSURE: 4074200 290.496 -29.9834 186.746 72.3899 -122.711 -166.362 111.692 -111.344 200.014 PRESSAVG: 4074200 18.3669 -30.6088 -19.6077 -30.6087 -2.48462 6.02439 -19.6078 6.0244 -5.8733 GPRESSAVG: 4074200 19.431 -31.1157 -16.6356 -28.673 -3.43949 4.77419 -19.4188 7.64553 -6.29134 TIMING: 4074200 CPU: 12726.4, 0.00311059/step Wall: 12726.4, 0.00311059/step, 0.79994 hours remaining, 234.914062 MB of memory in use. ENERGY: 4074200 3972.4205 20499.5991 14354.8782 249.5134 -203205.0192 2931.6971 0.0000 0.0000 52100.0677 -109096.8432 299.4198 -161196.9110 -108725.0469 299.3301 91.0226 122.5995 763800.3319 3.3363 3.2334 PRESSURE: 4074400 -558.476 33.8763 -8.97118 33.8768 214.98 167.875 -8.9712 167.874 -490.026 GPRESSURE: 4074400 -530.842 95.2643 28.5134 -76.2247 183.684 185.788 -18.6718 150.707 -405.701 PRESSAVG: 4074400 -37.1743 -43.0705 -15.1431 -43.0706 34.5527 5.38982 -15.1431 5.38985 10.3995 GPRESSAVG: 4074400 -39.4189 -40.5084 -16.8412 -45.5212 35.2478 7.89879 -15.5033 4.81188 12.4188 TIMING: 4074400 CPU: 12727, 0.00309119/step Wall: 12727, 0.00309119/step, 0.794778 hours remaining, 234.914062 MB of memory in use. ENERGY: 4074400 3968.7920 20415.9933 14427.6507 243.8162 -202911.7304 2588.0352 0.0000 0.0000 52280.0297 -108987.4134 300.4540 -161267.4431 -108625.4304 299.3867 -277.8410 -250.9531 764673.9648 2.5926 2.7492 PRESSURE: 4074600 -315.534 -2.20134 -220.4 -2.20182 -48.0182 -284.36 -220.401 -284.361 -590.113 GPRESSURE: 4074600 -242.398 68.8895 -176.475 51.8142 -18.8827 -235.091 -270.547 -322.094 -659.382 PRESSAVG: 4074600 50.4027 -29.7856 -64.7227 -29.7856 3.34743 -26.6993 -64.7228 -26.6994 11.0469 GPRESSAVG: 4074600 52.5984 -33.3657 -64.7137 -27.9174 3.61051 -30.0183 -63.6873 -26.8936 8.53101 TIMING: 4074600 CPU: 12727.7, 0.00312/step Wall: 12727.7, 0.00312/step, 0.802014 hours remaining, 234.914062 MB of memory in use. ENERGY: 4074600 4021.8841 20501.9485 14502.0597 260.5154 -202847.2451 2493.1498 0.0000 0.0000 51877.8715 -109189.8160 298.1428 -161067.6875 -108843.9519 299.3638 -317.8886 -306.8874 764569.2554 21.5990 21.5800 PRESSURE: 4074800 -289.118 103.574 55.2865 103.573 -363.848 -59.2271 55.2862 -59.2262 -178.401 GPRESSURE: 4074800 -293.074 40.9112 147.41 144.102 -280.181 -19.9192 38.8117 -59.4335 -167.87 PRESSAVG: 4074800 22.788 -43.3658 -23.5206 -43.3658 -22.0355 14.1889 -23.5206 14.1889 1.55499 GPRESSAVG: 4074800 23.0555 -41.197 -24.4508 -44.3548 -22.3081 15.6122 -20.5486 13.2633 1.35955 TIMING: 4074800 CPU: 12728.3, 0.00311816/step Wall: 12728.3, 0.00311816/step, 0.801366 hours remaining, 234.914062 MB of memory in use. ENERGY: 4074800 3979.7327 20490.3709 14473.8262 244.4154 -203062.5721 2698.5832 0.0000 0.0000 51939.9365 -109235.7072 298.4995 -161175.6437 -108870.7272 298.4350 -277.1219 -247.0415 763891.9453 0.7692 0.7023 PRESSURE: 4075000 -174.756 -110.964 -30.6229 -110.964 6.71513 -116.243 -30.6231 -116.243 -39.9769 GPRESSURE: 4075000 -81.0367 -101.858 62.2333 -25.5833 -67.5789 -89.3142 1.91298 -20.8563 9.28271 PRESSAVG: 4075000 -20.0027 -22.6491 9.89202 -22.6491 40.1789 -15.0475 9.89207 -15.0475 -7.59702 GPRESSAVG: 4075000 -20.2596 -24.9073 10.6038 -22.7352 38.7658 -15.3245 7.7263 -12.3924 -5.55016 TIMING: 4075000 CPU: 12728.9, 0.00310025/step Wall: 12728.9, 0.00310025/step, 0.796591 hours remaining, 234.914062 MB of memory in use. ENERGY: 4075000 3923.9940 20374.2497 14419.4378 250.3386 -202769.5218 2524.1654 0.0000 0.0000 52132.7966 -109144.5397 299.6079 -161277.3363 -108776.4442 298.6465 -69.3391 -46.4443 764162.9599 4.1931 4.3187 PRESSURE: 4075200 -148.314 -109.314 161.802 -109.314 -0.140224 -227.821 161.802 -227.821 -70.4587 GPRESSURE: 4075200 -99.36 -74.9973 225.346 -61.4792 43.209 -237.701 251.002 -184.578 -87.1051 PRESSAVG: 4075200 -62.4945 -24.4424 78.6143 -24.4424 88.1728 -8.7734 78.6145 -8.77347 -20.5594 GPRESSAVG: 4075200 -63.8004 -22.1891 78.3661 -23.8534 89.1033 -7.99015 78.8325 -10.1936 -20.2728 TIMING: 4075200 CPU: 12729.5, 0.00310342/step Wall: 12729.5, 0.00310342/step, 0.797235 hours remaining, 234.914062 MB of memory in use. ENERGY: 4075200 3986.1608 20529.4816 14449.4248 259.1627 -203202.4617 2707.5435 0.0000 0.0000 52066.1939 -109204.4945 299.2251 -161270.6884 -108848.4656 299.2984 -72.9710 -47.7520 761891.6846 1.7063 1.6767 PRESSURE: 4075400 181.427 -9.47914 8.51108 -9.47892 -255.479 -71.935 8.51162 -71.9344 8.14159 GPRESSURE: 4075400 158.097 -127.363 -65.8407 -0.296725 -194.536 -102.967 85.0358 46.2812 50.3906 PRESSAVG: 4075400 -3.09988 -41.9773 55.8891 -41.9773 -24.2422 -55.7455 55.8891 -55.7455 17.2414 GPRESSAVG: 4075400 -1.24877 -43.3505 55.0346 -42.8188 -24.2882 -55.1219 55.9649 -57.0721 15.6199 TIMING: 4075400 CPU: 12730.2, 0.00312144/step Wall: 12730.2, 0.00312144/step, 0.80169 hours remaining, 234.914062 MB of memory in use. ENERGY: 4075400 3859.3223 20384.2475 14474.3800 240.4950 -203017.5930 2922.8570 0.0000 0.0000 52169.4041 -108966.8872 299.8183 -161136.2913 -108602.7750 299.1216 -21.9702 4.6504 764328.6356 -3.3669 -3.3057 PRESSURE: 4075600 -130.035 -217.571 -40.7145 -217.571 -348.695 -160.848 -40.715 -160.847 -352.62 GPRESSURE: 4075600 -11.2138 -236.782 -99.2929 -139.764 -345.315 -159.496 -51.0887 -212.177 -395.757 PRESSAVG: 4075600 0.982268 -5.6101 19.2049 -5.61014 26.5304 -74.5529 19.2048 -74.5528 -0.431123 GPRESSAVG: 4075600 -0.647343 -5.5898 20.6469 -5.47429 29.0664 -75.419 17.2357 -73.9025 -0.493918 TIMING: 4075600 CPU: 12730.8, 0.0031107/step Wall: 12730.8, 0.0031107/step, 0.798758 hours remaining, 234.914062 MB of memory in use. ENERGY: 4075600 4024.3208 20528.5394 14397.7673 245.7451 -202827.0262 2692.8778 0.0000 0.0000 52284.6494 -108653.1265 300.4806 -160937.7759 -108287.4155 299.6458 -277.1167 -250.7619 762536.7810 9.0272 9.3084 PRESSURE: 4075800 -25.1443 -16.7214 -33.4647 -16.7224 120.11 -64.0247 -33.4644 -64.0248 163.563 GPRESSURE: 4075800 65.605 101.891 -14.1381 12.5924 72.8013 -148.025 52.4909 -31.4325 201.658 PRESSAVG: 4075800 -8.39468 -9.43819 3.47033 -9.43823 22.8211 7.35556 3.47034 7.3555 8.34946 GPRESSAVG: 4075800 -6.39342 -10.5596 3.05302 -9.43517 18.7206 5.41106 5.42652 9.82917 10.0143 TIMING: 4075800 CPU: 12731.4, 0.00310787/step Wall: 12731.4, 0.00310787/step, 0.797859 hours remaining, 234.914062 MB of memory in use. ENERGY: 4075800 3983.0176 20633.8632 14491.1563 252.9000 -202690.3398 2610.9046 0.0000 0.0000 52255.6343 -108462.8637 300.3138 -160718.4980 -108100.7403 300.4188 86.1760 113.3547 762632.1408 7.5919 7.4472 PRESSURE: 4076000 39.0558 -21.2109 -21.8505 -21.2105 -199.488 -4.56681 -21.8517 -4.56745 -142.255 GPRESSURE: 4076000 -48.4478 -32.0302 -12.9783 -4.69997 -72.7168 -42.2705 68.775 -86.08 -70.0897 PRESSAVG: 4076000 -4.57256 53.52 34.0141 53.52 63.0877 -45.4584 34.0141 -45.4583 12.0277 GPRESSAVG: 4076000 -5.69145 54.9435 34.5772 52.2967 64.6793 -42.5083 31.9036 -48.0395 11.6895 TIMING: 4076000 CPU: 12732, 0.00311509/step Wall: 12732, 0.00311509/step, 0.799541 hours remaining, 234.914062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4076000 4029.3068 20647.3453 14501.7738 236.5650 -202875.2016 2589.8623 0.0000 0.0000 52066.6619 -108803.6866 299.2278 -160870.3484 -108442.4833 300.3251 -100.8958 -63.7514 763118.7267 23.5143 23.5591 PRESSURE: 4076200 139.161 -123.365 72.7802 -123.364 206.837 -11.1509 72.7795 -11.1507 -258.692 GPRESSURE: 4076200 175.288 -16.8343 -19.7705 -158.098 291.867 48.3168 19.907 -40.5439 -306.446 PRESSAVG: 4076200 9.7481 -23.7192 -30.0575 -23.7192 -4.45662 -15.9952 -30.0575 -15.9952 0.65756 GPRESSAVG: 4076200 8.12978 -24.5668 -29.0953 -21.642 -2.329 -16.6905 -27.4159 -16.4261 -0.122128 TIMING: 4076200 CPU: 12732.6, 0.00311214/step Wall: 12732.6, 0.00311214/step, 0.79861 hours remaining, 234.914062 MB of memory in use. ENERGY: 4076200 3963.5445 20495.3784 14462.6334 245.8273 -203216.0089 2750.8590 0.0000 0.0000 52278.6595 -109019.1067 300.4462 -161297.7662 -108657.3592 299.9414 29.1021 53.5694 762763.1276 1.9830 1.8929 LDB: ============= START OF LOAD BALANCING ============== 12745.1 LDB: ============== END OF LOAD BALANCING =============== 12745.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12745.1 LDB: ============= START OF LOAD BALANCING ============== 12745.4 LDB: Largest compute 6989 load 0.030555 is 15.6% of average load 0.195393 LDB: Average compute 0.004388 is 2.2% of average load 0.195393 LDB: TIME 12745.4 LOAD: AVG 0.195393 MAX 0.216653 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.871 MB LDB: TIME 12745.4 LOAD: AVG 0.195393 MAX 0.216653 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.07 MB LDB: TIME 12745.4 LOAD: AVG 0.195393 MAX 0.216653 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.07 MB LDB: ============== END OF LOAD BALANCING =============== 12745.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12745.4 PRESSURE: 4076400 -125.29 -75.8846 -47.718 -75.8846 109.491 -29.9455 -47.7174 -29.9442 -309.232 GPRESSURE: 4076400 -127.316 -163.797 -111.426 -72.5872 138.003 -39.9011 99.6531 -45.3927 -249.568 PRESSAVG: 4076400 -11.6097 -3.65484 -18.9085 -3.65483 12.2407 -38.4082 -18.9086 -38.4083 -3.12187 GPRESSAVG: 4076400 -10.9198 -2.84389 -19.2737 -4.78121 10.2201 -38.9493 -19.6239 -35.7569 -1.89311 TIMING: 4076400 CPU: 12733.3, 0.003177/step Wall: 12733.3, 0.003177/step, 0.815077 hours remaining, 233.750000 MB of memory in use. ENERGY: 4076400 4034.7190 20484.6592 14474.1381 255.0189 -202870.0423 2528.2373 0.0000 0.0000 52311.6627 -108781.6070 300.6358 -161093.2697 -108420.8027 299.8218 -108.3437 -79.6268 761964.4077 -0.8303 -0.8643 PRESSURE: 4076600 6.72636 -155.1 97.4177 -155.101 72.9473 54.995 97.4175 54.9962 -279.221 GPRESSURE: 4076600 65.4931 -135.599 103.81 -237.768 89.1562 79.29 82.5357 -175.032 -273.966 PRESSAVG: 4076600 -24.9126 -55.4899 67.7812 -55.4899 48.3429 7.39293 67.7812 7.39288 -5.07378 GPRESSAVG: 4076600 -25.2415 -56.9059 68.7036 -55.2971 49.1603 8.15457 66.2004 5.76338 -5.71855 TIMING: 4076600 CPU: 12733.9, 0.00310541/step Wall: 12733.9, 0.00310541/step, 0.796537 hours remaining, 233.750000 MB of memory in use. ENERGY: 4076600 3948.5904 20476.3457 14482.9276 240.8170 -202954.8979 2497.7987 0.0000 0.0000 52315.7258 -108992.6927 300.6592 -161308.4185 -108627.6055 300.0586 -66.5159 -39.7723 762734.6447 6.1188 6.0668 PRESSURE: 4076800 118.141 88.2337 237.003 88.2346 -243.007 -40.3375 237.002 -40.3369 338.126 GPRESSURE: 4076800 177.015 215.082 182.001 90.6643 -100.432 -93.1374 202.246 -140.941 227.278 PRESSAVG: 4076800 37.1101 5.44226 20.8284 5.44228 5.76073 -5.47824 20.8284 -5.47819 -18.3048 GPRESSAVG: 4076800 38.0832 6.23824 19.8748 6.07655 5.4216 -7.58867 23.8598 -4.95512 -19.3025 TIMING: 4076800 CPU: 12734.5, 0.00309912/step Wall: 12734.5, 0.00309912/step, 0.794753 hours remaining, 233.953125 MB of memory in use. ENERGY: 4076800 3949.9933 20440.6304 14397.6384 251.6449 -203402.2946 3004.0095 0.0000 0.0000 52566.7520 -108791.6261 302.1018 -161358.3781 -108429.3712 299.8730 71.0866 101.2872 762587.7241 8.1887 8.0674 PRESSURE: 4077000 -135.355 -170.096 21.1674 -170.095 -18.8718 65.2707 21.1678 65.2715 38.9861 GPRESSURE: 4077000 -124.972 -272.567 -26.3004 -148.863 -15.3034 40.3576 60.841 167.161 106.764 PRESSAVG: 4077000 66.6052 14.7181 19.6953 14.7181 8.50628 13.3579 19.6953 13.3579 18.3372 GPRESSAVG: 4077000 66.5959 14.8437 19.2662 13.8574 7.29532 14.2513 18.0201 13.2564 19.6835 TIMING: 4077000 CPU: 12735.1, 0.00309881/step Wall: 12735.1, 0.00309881/step, 0.794501 hours remaining, 233.953125 MB of memory in use. ENERGY: 4077000 4000.9596 20571.1161 14425.2742 229.0797 -202839.9426 2560.3191 0.0000 0.0000 52222.9995 -108830.1945 300.1263 -161053.1940 -108475.1746 300.1487 -38.4136 -11.1705 762874.1906 31.1496 31.1916 PRESSURE: 4077200 -302.539 -80.5574 210.451 -80.5569 -115.867 97.564 210.451 97.5633 -3.29153 GPRESSURE: 4077200 -246.64 -157.763 197.46 -32.2289 -9.37134 50.7627 39.8017 132.399 -75.1858 PRESSAVG: 4077200 2.22056 5.08895 50.5164 5.08892 1.48257 77.2 50.5164 77.2 2.02283 GPRESSAVG: 4077200 2.60224 5.94472 51.2822 4.96981 3.1974 77.1463 50.6072 78.347 0.441392 TIMING: 4077200 CPU: 12735.8, 0.0030982/step Wall: 12735.8, 0.0030982/step, 0.794171 hours remaining, 233.953125 MB of memory in use. ENERGY: 4077200 4025.3000 20334.9906 14526.9007 247.7355 -202945.9456 2708.7066 0.0000 0.0000 52242.7294 -108859.5828 300.2397 -161102.3121 -108491.6458 299.7755 -140.5659 -110.3991 763407.2626 1.9087 2.0803 PRESSURE: 4077400 129.65 52.12 -72.8789 52.1192 259.791 194.638 -72.8788 194.638 39.1609 GPRESSURE: 4077400 155.835 65.3978 -73.8061 -41.4463 290.465 210.508 -121.119 63.844 71.1138 PRESSAVG: 4077400 -30.625 -2.96414 8.45234 -2.96418 42.2812 -6.24332 8.45239 -6.24333 13.9343 GPRESSAVG: 4077400 -31.1913 -2.19361 8.60609 -3.25032 42.5303 -5.25612 7.98306 -8.55705 15.3206 TIMING: 4077400 CPU: 12736.4, 0.00311713/step Wall: 12736.4, 0.00311713/step, 0.79885 hours remaining, 233.953125 MB of memory in use. ENERGY: 4077400 3988.2763 20501.5696 14443.8258 235.2620 -203611.2801 3183.6229 0.0000 0.0000 52494.5359 -108764.1877 301.6868 -161258.7236 -108396.8824 300.5257 142.8673 172.4712 762933.3395 8.5302 8.8866 PRESSURE: 4077600 -26.2035 75.5544 330.887 75.5539 307.53 -28.4935 330.887 -28.4936 104.759 GPRESSURE: 4077600 34.9335 46.9614 232.467 130.13 310.515 24.7735 371.103 13.8454 119.874 PRESSAVG: 4077600 -16.1985 -21.9158 22.5828 -21.9158 -22.7558 -17.5989 22.5828 -17.5989 -21.2734 GPRESSAVG: 4077600 -14.7567 -24.2369 20.6036 -22.9361 -24.5957 -18.9499 23.0802 -18.1812 -21.4962 TIMING: 4077600 CPU: 12737, 0.00310622/step Wall: 12737, 0.00310622/step, 0.795882 hours remaining, 233.953125 MB of memory in use. ENERGY: 4077600 3998.8085 20520.6363 14449.4864 239.3606 -203101.9092 2876.9430 0.0000 0.0000 52224.1190 -108792.5554 300.1327 -161016.6744 -108420.0081 300.3529 128.6953 155.1076 763276.2167 -20.0759 -20.2829 PRESSURE: 4077800 -48.3026 74.5485 -169.822 74.5486 -278.159 -72.3519 -169.822 -72.3503 -26.7901 GPRESSURE: 4077800 -58.9751 90.9681 -100.646 31.4718 -217.901 -71.7462 -203.09 -12.4917 12.1746 PRESSAVG: 4077800 28.0916 10.9204 -3.18328 10.9204 22.0686 20.5885 -3.1833 20.5885 31.7593 GPRESSAVG: 4077800 28.3316 13.2804 -2.36854 11.4983 23.3913 20.4762 -5.2253 21.9257 30.9359 TIMING: 4077800 CPU: 12737.6, 0.00309882/step Wall: 12737.6, 0.00309882/step, 0.793815 hours remaining, 233.953125 MB of memory in use. ENERGY: 4077800 3983.7392 20621.0057 14501.9835 266.1666 -202637.4851 2537.2092 0.0000 0.0000 52029.8708 -108697.5100 299.0164 -160727.3808 -108347.7003 300.7246 -117.7506 -88.2339 764259.6845 27.3065 27.5530 PRESSURE: 4078000 60.7208 -153.271 -65.0905 -153.271 -337.648 45.3621 -65.0903 45.3617 -391.246 GPRESSURE: 4078000 59.8064 -160.413 17.2752 -226.535 -282.84 102.228 -136.375 -6.96384 -342.104 PRESSAVG: 4078000 2.51922 -52.3339 -20.088 -52.334 -1.84164 9.12962 -20.088 9.12971 -25.2295 GPRESSAVG: 4078000 1.69637 -53.6253 -19.9941 -52.6497 -1.783 11.2133 -17.9268 7.28929 -24.6089 TIMING: 4078000 CPU: 12738.2, 0.00310659/step Wall: 12738.2, 0.00310659/step, 0.795633 hours remaining, 233.953125 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: 4078000 4039.1301 20609.4514 14495.5135 248.7424 -202234.6891 2189.8397 0.0000 0.0000 52044.2205 -108607.7916 299.0989 -160652.0121 -108247.0344 300.3200 -222.7245 -188.3793 764595.7069 -8.1840 -8.2319 PRESSURE: 4078200 89.4531 -24.7542 -158.44 -24.7543 16.6304 180.675 -158.44 180.675 96.7957 GPRESSURE: 4078200 180.382 32.4005 -132.732 22.839 8.32641 247.446 -82.3424 196.636 73.5742 PRESSAVG: 4078200 -14.072 -1.66655 -12.5978 -1.66663 3.00168 -31.575 -12.5978 -31.575 -12.8508 GPRESSAVG: 4078200 -13.2145 -3.26311 -11.4909 0.161959 2.81524 -31.7947 -12.9955 -31.4302 -13.2437 TIMING: 4078200 CPU: 12738.9, 0.00310807/step Wall: 12738.9, 0.00310807/step, 0.795838 hours remaining, 233.953125 MB of memory in use. ENERGY: 4078200 4015.3452 20513.7679 14487.7061 244.9149 -202948.6315 2748.3992 0.0000 0.0000 52287.9403 -108650.5579 300.4995 -160938.4982 -108292.9668 300.9406 67.6264 87.4276 763889.8048 -7.9737 -7.8810 PRESSURE: 4078400 -28.5695 -69.2214 -348.415 -69.2206 0.61079 -7.25107 -348.415 -7.25081 -468.491 GPRESSURE: 4078400 -1.32404 -41.2239 -386.709 9.16781 32.0985 45.4782 -267.275 19.0688 -449.49 PRESSAVG: 4078400 6.70414 -19.7573 -3.8941 -19.7573 12.809 13.3752 -3.89415 13.3752 -3.12276 GPRESSAVG: 4078400 6.13222 -18.6126 -3.42924 -20.5583 13.3089 12.7811 -2.65416 12.9932 -3.01984 TIMING: 4078400 CPU: 12739.5, 0.0031007/step Wall: 12739.5, 0.0031007/step, 0.79378 hours remaining, 233.953125 MB of memory in use. ENERGY: 4078400 4026.4101 20703.1696 14447.3691 245.6110 -202816.4860 2403.7190 0.0000 0.0000 52199.1234 -108791.0839 299.9891 -160990.2073 -108433.0823 300.4797 -165.4832 -139.5720 762441.0301 5.4635 5.4738 PRESSURE: 4078600 -78.3046 -285.644 32.0839 -285.644 -28.5046 -54.27 32.0842 -54.2694 124.556 GPRESSURE: 4078600 -15.7782 -324.496 -3.94212 -231.534 21.8319 22.6907 -68.7178 -44.4626 92.6192 PRESSAVG: 4078600 -21.5045 -17.2811 28.4614 -17.281 70.6408 -22.756 28.4613 -22.756 -17.4986 GPRESSAVG: 4078600 -21.6135 -17.3315 26.8155 -17.7939 70.0509 -23.3563 25.9077 -21.4645 -16.9048 TIMING: 4078600 CPU: 12740.1, 0.00309941/step Wall: 12740.1, 0.00309941/step, 0.793276 hours remaining, 233.953125 MB of memory in use. ENERGY: 4078600 3997.9079 20533.1925 14377.2797 243.4349 -203239.0807 2743.0652 0.0000 0.0000 52244.6481 -109099.5523 300.2507 -161344.2004 -108728.5657 299.9041 5.9157 32.8910 762419.4757 10.5459 10.5109 PRESSURE: 4078800 225.32 -3.54415 61.8546 -3.54419 139.054 74.039 61.855 74.039 198.719 GPRESSURE: 4078800 197.153 -34.3578 74.5707 -15.3415 317.394 23.357 0.468504 90.0093 126.774 PRESSAVG: 4078800 -72.1167 -70.1761 13.0955 -70.176 83.4042 -7.37849 13.0954 -7.37848 19.7712 GPRESSAVG: 4078800 -72.2599 -70.2082 14.9241 -69.7378 83.3712 -7.52395 13.0536 -6.82506 19.4971 TIMING: 4078800 CPU: 12740.7, 0.00311351/step Wall: 12740.7, 0.00311352/step, 0.796714 hours remaining, 233.953125 MB of memory in use. ENERGY: 4078800 3947.7857 20605.4454 14457.8269 236.6082 -203413.8343 2847.2084 0.0000 0.0000 52065.1333 -109253.8264 299.2190 -161318.9596 -108889.6435 299.3870 187.6976 213.7733 762242.4728 10.3529 10.2028 PRESSURE: 4079000 -146.049 -185.448 36.3503 -185.449 297.873 77.222 36.3504 77.2217 262.06 GPRESSURE: 4079000 8.80268 -311.792 84.2621 -128.732 178.581 122.702 4.65202 4.14328 292.276 PRESSAVG: 4079000 -16.097 -95.6902 7.57775 -95.6902 25.489 4.29406 7.57776 4.29409 13.0344 GPRESSAVG: 4079000 -15.9165 -96.4126 7.41005 -95.338 25.258 4.38922 10.9025 3.13802 12.7863 TIMING: 4079000 CPU: 12741.3, 0.00311227/step Wall: 12741.3, 0.00311227/step, 0.796223 hours remaining, 233.953125 MB of memory in use. ENERGY: 4079000 3971.0743 20472.3189 14422.7303 250.3054 -203594.0620 3027.3511 0.0000 0.0000 52160.9067 -109289.3753 299.7694 -161450.2820 -108924.8213 299.0632 137.9613 159.8867 761739.6509 7.4755 7.3759 PRESSURE: 4079200 -90.4113 29.6387 -329.261 29.6379 -163.741 171.184 -329.26 171.184 109.388 GPRESSURE: 4079200 0.0862662 21.3839 -269.465 65.5369 -121.481 133.136 -410.423 202.498 71.3068 PRESSAVG: 4079200 -0.875096 0.189499 20.5169 0.189413 13.5811 44.45 20.5169 44.45 20.4283 GPRESSAVG: 4079200 -0.111321 0.452464 18.4331 0.121946 13.2172 41.9273 19.791 44.2373 20.3404 TIMING: 4079200 CPU: 12742, 0.00309917/step Wall: 12742, 0.00309917/step, 0.7927 hours remaining, 233.953125 MB of memory in use. ENERGY: 4079200 4022.5461 20536.5708 14400.5221 247.5315 -203384.1455 2665.5672 0.0000 0.0000 52257.1143 -109254.2935 300.3224 -161511.4078 -108899.2980 299.5371 -48.2547 -16.6959 762445.5149 11.0448 11.1488 PRESSURE: 4079400 -13.4118 -36.1872 315.709 -36.1871 -124.63 63.629 315.709 63.6296 99.2067 GPRESSURE: 4079400 73.9534 -77.2264 280.747 -27.6974 -51.5769 110.41 397.849 -6.83831 31.9254 PRESSAVG: 4079400 40.7227 -30.4926 17.2972 -30.4925 -29.9511 28.6425 17.2973 28.6425 -1.16764 GPRESSAVG: 4079400 39.903 -29.4586 18.1194 -31.4273 -29.5525 31.0633 15.9147 28.7481 -0.357246 TIMING: 4079400 CPU: 12742.6, 0.00311125/step Wall: 12742.6, 0.00311125/step, 0.795617 hours remaining, 233.953125 MB of memory in use. ENERGY: 4079400 4029.2863 20458.7519 14387.5276 247.2718 -203381.3251 2896.9751 0.0000 0.0000 51883.3429 -109478.1695 298.1743 -161361.5124 -109114.4800 299.1126 -12.9451 18.1006 762361.9936 3.2013 3.3311 PRESSURE: 4079600 -246.678 -83.3252 70.6947 -83.3246 -102.354 -272.691 70.6942 -272.692 -374.184 GPRESSURE: 4079600 -239.639 -48.3961 31.5808 -28.6992 -51.9649 -251.389 123.605 -204.808 -355.743 PRESSAVG: 4079600 -49.2896 -40.2418 -6.41731 -40.2418 50.4346 -3.67156 -6.41729 -3.6715 3.47549 GPRESSAVG: 4079600 -48.9575 -38.8703 -6.26294 -40.5346 49.318 -3.59922 -3.81221 -2.47438 3.28753 TIMING: 4079600 CPU: 12743.2, 0.00311504/step Wall: 12743.2, 0.00311504/step, 0.796411 hours remaining, 233.953125 MB of memory in use. ENERGY: 4079600 4013.9241 20615.9969 14429.9558 228.6607 -203339.8050 2675.1217 0.0000 0.0000 51994.8002 -109381.3456 298.8148 -161376.1457 -109015.7768 298.8011 -241.0719 -215.7823 762912.2068 1.5401 1.2160 PRESSURE: 4079800 -132.383 -24.3904 -126.411 -24.3908 297.871 -197.045 -126.411 -197.045 30.375 GPRESSURE: 4079800 -117.01 42.146 -118.629 -31.2243 317.03 -231.415 -185.823 -204.483 81.0631 PRESSAVG: 4079800 -80.6909 3.81525 6.41609 3.81533 26.9159 -11.9119 6.41607 -11.912 40.1675 GPRESSAVG: 4079800 -80.8597 0.485954 6.28001 4.02164 27.2234 -11.9691 5.14055 -10.907 40.0456 TIMING: 4079800 CPU: 12743.8, 0.00313263/step Wall: 12743.8, 0.00313263/step, 0.800735 hours remaining, 233.953125 MB of memory in use. ENERGY: 4079800 4001.8925 20516.7952 14330.0984 263.2287 -203082.6519 2527.4928 0.0000 0.0000 52199.5743 -109243.5700 299.9917 -161443.1443 -108877.9333 299.2274 65.2875 93.6944 762585.6520 -4.5359 -4.5302 PRESSURE: 4080000 315.411 -132.477 -181.419 -132.477 -222.834 -44.107 -181.419 -44.1061 131.857 GPRESSURE: 4080000 209.03 -39.1737 -80.6847 -85.7181 -61.71 -69.1575 -137.382 -123.047 161.974 PRESSAVG: 4080000 8.83574 -35.6488 8.01025 -35.6488 16.6947 25.4323 8.01029 25.4324 -11.8568 GPRESSAVG: 4080000 8.30072 -33.3895 8.84332 -35.3191 17.824 25.8151 6.96999 24.2976 -11.7228 TIMING: 4080000 CPU: 12744.5, 0.0031151/step Wall: 12744.5, 0.0031151/step, 0.796081 hours remaining, 233.953125 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: 4080000 4017.0761 20574.8862 14411.8468 227.3427 -203246.0822 2397.5919 0.0000 0.0000 52037.0735 -109580.2651 299.0578 -161617.3386 -109217.5972 298.8136 74.8114 103.0981 762990.5112 4.5579 4.8006 PRESSURE: 4080200 80.3545 160.91 329.744 160.909 -113.942 27.1722 329.743 27.1714 -207.355 GPRESSURE: 4080200 87.9367 39.9557 217.558 95.2244 -37.099 122.258 327.925 -24.3309 -216.454 PRESSAVG: 4080200 -1.0103 -46.0718 23.0262 -46.0718 -11.3203 47.7139 23.0263 47.714 36.8455 GPRESSAVG: 4080200 -1.21143 -47.8961 22.7035 -46.2404 -11.6365 46.4241 21.8357 47.422 37.66 TIMING: 4080200 CPU: 12745.1, 0.00310893/step Wall: 12745.1, 0.00310893/step, 0.794332 hours remaining, 233.953125 MB of memory in use. ENERGY: 4080200 4047.1969 20709.8532 14539.4399 264.7072 -203914.0184 2880.9201 0.0000 0.0000 51827.1526 -109644.7485 297.8514 -161471.9010 -109290.1206 298.8192 -80.3140 -55.2053 761114.6986 8.1716 8.2707 LDB: ============= START OF LOAD BALANCING ============== 12757.6 LDB: ============== END OF LOAD BALANCING =============== 12757.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12757.6 LDB: ============= START OF LOAD BALANCING ============== 12757.9 LDB: Largest compute 7048 load 0.029204 is 15.0% of average load 0.195291 LDB: Average compute 0.004389 is 2.2% of average load 0.195291 LDB: TIME 12757.9 LOAD: AVG 0.195291 MAX 0.217932 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.52 MB LDB: TIME 12757.9 LOAD: AVG 0.195291 MAX 0.217932 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.539 MB LDB: TIME 12757.9 LOAD: AVG 0.195291 MAX 0.217932 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.539 MB LDB: ============== END OF LOAD BALANCING =============== 12757.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12757.9 PRESSURE: 4080400 22.2729 230.399 -40.8678 230.399 13.7791 -42.4316 -40.8684 -42.4309 61.8717 GPRESSURE: 4080400 124.358 241.086 -32.984 292.446 -65.2821 -118.481 -115.977 0.473782 130.004 PRESSAVG: 4080400 9.5602 -32.2832 1.08481 -32.2833 -20.2443 -35.5602 1.08491 -35.5603 12.9331 GPRESSAVG: 4080400 10.0409 -32.3614 2.08742 -32.3045 -20.6399 -33.3486 0.86946 -34.2528 12.9859 TIMING: 4080400 CPU: 12745.7, 0.00316384/step Wall: 12745.7, 0.00316384/step, 0.808186 hours remaining, 235.734375 MB of memory in use. ENERGY: 4080400 3972.2706 20535.4731 14459.0004 241.7609 -203569.7133 2892.3156 0.0000 0.0000 51920.3391 -109548.5535 298.3869 -161468.8926 -109185.4410 298.8460 32.6412 63.0267 763034.9580 0.7497 0.7956 PRESSURE: 4080600 109.2 -26.5742 90.7867 -26.5737 221.781 -153.448 90.7874 -153.45 -59.124 GPRESSURE: 4080600 99.8945 -123.646 131.792 -72.6989 279.782 -111.335 26.8409 -280.603 -19.5521 PRESSAVG: 4080600 -58.1279 -0.87605 -6.13396 -0.876057 3.65127 -29.4187 -6.1339 -29.4187 5.1597 GPRESSAVG: 4080600 -56.3817 -1.16534 -5.67262 -1.11604 2.69017 -28.996 -5.04945 -32.3756 4.19344 TIMING: 4080600 CPU: 12746.3, 0.00309721/step Wall: 12746.3, 0.00309721/step, 0.790994 hours remaining, 235.937500 MB of memory in use. ENERGY: 4080600 3870.3300 20415.1525 14407.3625 255.2387 -203157.2664 2511.5813 0.0000 0.0000 51998.0342 -109699.5672 298.8334 -161697.6014 -109333.7560 298.3438 90.6190 120.0416 762614.9473 -16.4390 -16.4993 PRESSURE: 4080800 -171.757 -304.685 -64.0562 -304.685 -271.833 184.237 -64.0556 184.238 -270.679 GPRESSURE: 4080800 -153.461 -245.891 -131.354 -302.91 -228.248 144.839 -41.0605 193.411 -241.697 PRESSAVG: 4080800 -7.72482 6.14466 7.87779 6.14469 40.0963 -16.2308 7.87778 -16.2308 36.2739 GPRESSAVG: 4080800 -8.93998 5.92042 6.91478 6.45899 41.0286 -17.7519 6.53374 -16.1324 36.7514 TIMING: 4080800 CPU: 12747, 0.00311913/step Wall: 12747, 0.00311913/step, 0.796418 hours remaining, 235.937500 MB of memory in use. ENERGY: 4080800 3973.7936 20453.7532 14445.4598 255.6085 -203385.3583 2539.4189 0.0000 0.0000 52104.2694 -109613.0549 299.4440 -161717.3243 -109244.5246 298.7489 -238.0897 -207.8022 761836.2118 22.8818 22.9467 PRESSURE: 4081000 -48.9189 8.33905 154.517 8.33885 -258.923 93.258 154.518 93.2572 -27.2246 GPRESSURE: 4081000 35.9976 -109.347 250.675 29.58 -233.029 148.905 22.8106 59.655 -59.621 PRESSAVG: 4081000 -23.0529 -25.7495 -24.5521 -25.7495 37.5331 5.63865 -24.5521 5.63871 -12.0458 GPRESSAVG: 4081000 -21.6801 -23.3164 -23.113 -28.1612 37.1663 6.58318 -23.2884 6.13392 -13.0498 TIMING: 4081000 CPU: 12747.6, 0.00313188/step Wall: 12747.6, 0.00313188/step, 0.799499 hours remaining, 235.937500 MB of memory in use. ENERGY: 4081000 4012.8365 20489.1329 14423.7302 236.3831 -203279.0967 2577.5178 0.0000 0.0000 52263.8464 -109275.6498 300.3610 -161539.4962 -108913.8837 299.3076 -111.6888 -85.5507 760583.0388 0.8115 0.8121 PRESSURE: 4081200 -28.5095 -99.7646 -62.6772 -99.7654 -39.1414 -111.154 -62.6772 -111.153 411.25 GPRESSURE: 4081200 14.2817 -126.811 55.6577 -78.9096 33.0791 -104.407 1.29591 -34.7525 376.943 PRESSAVG: 4081200 -24.0759 -1.88983 50.6 -1.88983 -12.5604 -27.3507 50.6 -27.3506 -20.8865 GPRESSAVG: 4081200 -24.9491 -5.29738 49.0587 -0.595517 -12.359 -27.5847 51.6152 -27.4796 -20.089 TIMING: 4081200 CPU: 12748.2, 0.00311961/step Wall: 12748.2, 0.00311961/step, 0.796193 hours remaining, 235.937500 MB of memory in use. ENERGY: 4081200 4052.8780 20662.9692 14525.4427 258.4174 -203454.3845 2780.4362 0.0000 0.0000 51941.8830 -109232.3580 298.5107 -161174.2410 -108871.1842 299.4458 114.5329 141.4345 760886.0957 -19.1743 -19.1324 PRESSURE: 4081400 -117.102 -88.7849 -73.5527 -88.7858 -100.664 -280.653 -73.5531 -280.653 -412.258 GPRESSURE: 4081400 -82.0492 -108.036 -6.07353 -14.2762 -153.574 -268.587 61.7729 -352.623 -295.952 PRESSAVG: 4081400 -57.4319 -48.3616 -18.0865 -48.3616 37.4877 -26.5744 -18.0865 -26.5744 0.103532 GPRESSAVG: 4081400 -58.4002 -47.4763 -18.6911 -47.3065 38.3312 -27.2541 -16.7546 -26.9285 0.726229 TIMING: 4081400 CPU: 12748.8, 0.00312165/step Wall: 12748.8, 0.00312165/step, 0.796541 hours remaining, 235.937500 MB of memory in use. ENERGY: 4081400 4026.5239 20471.7328 14441.4718 265.0611 -203069.0172 2688.7899 0.0000 0.0000 51834.6100 -109340.8278 297.8942 -161175.4378 -108987.1568 299.0207 -210.0078 -177.1918 761040.9840 -6.6135 -6.4476 PRESSURE: 4081600 -335.241 69.7347 24.4503 69.7353 -20.7048 -17.0227 24.4508 -17.0231 -51.047 GPRESSURE: 4081600 -275.666 117.779 55.9635 2.44789 0.907982 -67.4479 66.2439 33.3482 -53.0232 PRESSAVG: 4081600 26.4366 -6.98185 10.0484 -6.98188 11.8433 -5.54721 10.0484 -5.54723 19.5083 GPRESSAVG: 4081600 28.5996 -6.32107 10.2598 -7.59318 11.3608 -7.72195 9.0615 -4.65219 18.2035 TIMING: 4081600 CPU: 12749.5, 0.00310859/step Wall: 12749.5, 0.00310858/step, 0.793034 hours remaining, 235.937500 MB of memory in use. ENERGY: 4081600 3994.6098 20417.0776 14377.7511 240.2450 -203241.8103 2816.0615 0.0000 0.0000 52200.6176 -109195.4476 299.9977 -161396.0652 -108831.8722 298.7915 -135.6643 -109.2606 762554.1377 19.2627 19.3880 PRESSURE: 4081800 131.726 -163.377 48.9751 -163.376 85.4425 -13.8986 48.9747 -13.8979 232.364 GPRESSURE: 4081800 176.762 -238.576 52.8908 -194.583 126.682 53.1866 -111.405 -61.1453 232.319 PRESSAVG: 4081800 -41.9118 -31.561 47.4986 -31.561 65.5747 -34.8054 47.4985 -34.8054 1.42915 GPRESSAVG: 4081800 -43.8322 -31.8602 47.2694 -29.8282 66.7125 -33.2682 47.5389 -34.6103 2.17001 TIMING: 4081800 CPU: 12750.1, 0.00310512/step Wall: 12750.1, 0.00310512/step, 0.791978 hours remaining, 235.937500 MB of memory in use. ENERGY: 4081800 3932.7532 20506.4299 14444.1607 271.2244 -202734.4247 2552.8785 0.0000 0.0000 51956.0122 -109070.9658 298.5919 -161026.9780 -108717.3675 299.1833 149.8443 178.5876 762578.8586 8.3640 8.3501 PRESSURE: 4082000 -254.27 -89.5865 160.496 -89.5859 -112.086 147.04 160.496 147.04 -288.14 GPRESSURE: 4082000 -218.352 -32.8 92.1966 -58.205 -126.258 140.839 177.285 70.3966 -243.3 PRESSAVG: 4082000 -50.5006 -29.3817 7.32994 -29.3817 64.1 -44.4123 7.3299 -44.4124 -6.46382 GPRESSAVG: 4082000 -50.2125 -29.8817 8.53631 -30.0996 63.58 -43.0337 4.91521 -46.6266 -6.40055 TIMING: 4082000 CPU: 12750.7, 0.00310508/step Wall: 12750.7, 0.00310508/step, 0.791795 hours remaining, 235.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4082000 4034.9699 20629.0497 14508.1955 236.1965 -202531.8092 2261.4662 0.0000 0.0000 51990.8620 -108871.0694 298.7922 -160861.9314 -108510.0541 299.7993 -218.1650 -195.9699 761425.7569 2.3785 2.3223 PRESSURE: 4082200 38.5322 -38.2228 180.506 -38.2225 328.582 -206.009 180.506 -206.008 240.211 GPRESSURE: 4082200 120.629 -67.9953 356.269 1.90781 252.46 -330.008 111.707 -108.474 289.183 PRESSAVG: 4082200 27.9586 -34.9533 49.0113 -34.9532 -37.5756 -23.6656 49.0113 -23.6656 22.4426 GPRESSAVG: 4082200 28.6622 -33.468 50.2228 -36.053 -38.4445 -23.9318 49.3311 -22.3006 22.8819 TIMING: 4082200 CPU: 12751.3, 0.00309622/step Wall: 12751.3, 0.00309622/step, 0.789365 hours remaining, 235.937500 MB of memory in use. ENERGY: 4082200 3932.2773 20544.9479 14455.7391 252.9192 -203058.7132 2748.3655 0.0000 0.0000 52223.8653 -108900.5990 300.1313 -161124.4643 -108525.4936 299.7118 202.4415 220.7573 761665.3110 4.2752 4.3665 PRESSURE: 4082400 -198.962 -17.5256 37.4559 -17.5249 -142.198 -157 37.4559 -157 -248.688 GPRESSURE: 4082400 -227.459 11.3242 48.0042 73.0619 -112.265 -83.6973 1.85696 -236.001 -165.794 PRESSAVG: 4082400 -13.9911 -24.4593 55.0858 -24.4593 -9.60257 -60.8322 55.0859 -60.8323 -13.7585 GPRESSAVG: 4082400 -13.939 -26.7432 53.2797 -23.6615 -8.99277 -62.0831 56.4385 -60.0487 -14.2386 TIMING: 4082400 CPU: 12751.9, 0.00311599/step Wall: 12751.9, 0.00311599/step, 0.794232 hours remaining, 235.937500 MB of memory in use. ENERGY: 4082400 3971.6379 20673.8086 14418.0264 253.6083 -202867.5458 2430.9504 0.0000 0.0000 52075.9361 -109043.5781 299.2811 -161119.5142 -108675.0314 299.7979 -196.6160 -168.5063 763574.7492 -12.4507 -12.3901 PRESSURE: 4082600 -86.2244 -118.778 34.9493 -118.779 -30.6205 201.234 34.949 201.234 -652.695 GPRESSURE: 4082600 -90.7026 -102.624 31.0975 -214.223 19.6017 239.784 110.654 148.316 -609.257 PRESSAVG: 4082600 -10.1077 -10.9016 12.1858 -10.9016 -26.405 12.5755 12.1857 12.5755 7.84688 GPRESSAVG: 4082600 -11.4964 -8.53749 12.0544 -12.2898 -25.77 13.5869 14.3093 12.2661 8.65119 TIMING: 4082600 CPU: 12752.6, 0.00312055/step Wall: 12752.6, 0.00312055/step, 0.795219 hours remaining, 235.937500 MB of memory in use. ENERGY: 4082600 3980.7539 20544.5435 14489.0032 250.3558 -202695.4992 2317.1346 0.0000 0.0000 52063.5958 -109050.1124 299.2102 -161113.7082 -108691.1352 298.9901 -256.5133 -226.7859 763897.5867 -9.5553 -9.5384 PRESSURE: 4082800 -57.6881 15.1744 -3.27777 15.1758 35.6304 141.085 -3.27699 141.086 -174.602 GPRESSURE: 4082800 17.0534 -37.5548 -3.18151 -47.4531 -22.087 77.8633 -76.3855 170.753 -122.102 PRESSAVG: 4082800 -11.6644 37.344 16.7905 37.344 37.575 20.7369 16.7904 20.7369 -9.76199 GPRESSAVG: 4082800 -11.3495 35.8024 17.2991 36.2304 36.2657 19.7535 15.1773 20.7853 -9.15011 TIMING: 4082800 CPU: 12753.2, 0.00312522/step Wall: 12753.2, 0.00312522/step, 0.796235 hours remaining, 235.937500 MB of memory in use. ENERGY: 4082800 4099.9027 20298.1260 14411.7096 255.1155 -202837.4685 2701.4980 0.0000 0.0000 52024.9133 -109046.2033 298.9879 -161071.1166 -108685.2526 299.4931 -65.5533 -42.3786 763792.0392 5.3829 5.2554 PRESSURE: 4083000 -187.071 -72.5189 -70.6514 -72.5181 26.371 -138.612 -70.6511 -138.614 -193.482 GPRESSURE: 4083000 -186.746 10.3328 16.1224 -64.7694 77.6665 -158.427 40.7725 -239.111 -143.167 PRESSAVG: 4083000 -7.89376 -16.7324 -3.74261 -16.7324 28.7806 34.1392 -3.74267 34.1391 1.18176 GPRESSAVG: 4083000 -7.67306 -16.86 -3.67481 -15.3596 29.761 34.4467 -3.79527 33.2203 -0.159285 TIMING: 4083000 CPU: 12753.8, 0.00310904/step Wall: 12753.8, 0.00310904/step, 0.791943 hours remaining, 235.937500 MB of memory in use. ENERGY: 4083000 3979.8223 20433.6829 14431.2973 264.4933 -203016.4642 2663.9095 0.0000 0.0000 52141.8446 -109101.4143 299.6599 -161243.2589 -108742.3047 299.2529 -118.0608 -84.0822 762872.8844 7.3562 7.3095 PRESSURE: 4083200 130.663 -212.26 76.2826 -212.26 309.551 69.23 76.2822 69.2296 -208.156 GPRESSURE: 4083200 172.851 -82.691 37.9754 -195.577 291.283 145.23 25.5534 11.9221 -154.377 PRESSAVG: 4083200 -63.6748 -12.0671 40.0315 -12.0672 27.1323 5.77333 40.0315 5.77325 4.35112 GPRESSAVG: 4083200 -64.0743 -12.7858 39.5913 -12.3963 27.295 7.18417 39.1622 7.01692 4.80459 TIMING: 4083200 CPU: 12754.4, 0.00310314/step Wall: 12754.4, 0.00310314/step, 0.790267 hours remaining, 235.937500 MB of memory in use. ENERGY: 4083200 3939.9632 20494.5810 14396.8148 240.2997 -202703.2585 2539.7479 0.0000 0.0000 51983.0901 -109108.7617 298.7475 -161091.8519 -108749.1708 298.8030 77.3529 103.2522 761394.5010 -10.7305 -10.6582 PRESSURE: 4083400 -120.186 -12.0425 -66.6311 -12.0422 -219.728 57.7218 -66.6309 57.7207 -224.131 GPRESSURE: 4083400 -49.0417 97.7937 -33.2049 -61.5019 -144.658 28.0586 -79.9188 91.9483 -283.506 PRESSAVG: 4083400 -9.88326 -3.3163 -46.0087 -3.31626 -27.9508 0.397375 -46.0087 0.397434 -1.54152 GPRESSAVG: 4083400 -9.31471 -3.66141 -45.2389 -2.71612 -27.846 -1.06169 -44.2898 0.326939 -1.89703 TIMING: 4083400 CPU: 12755.1, 0.00310582/step Wall: 12755.1, 0.00310583/step, 0.790778 hours remaining, 235.937500 MB of memory in use. ENERGY: 4083400 3982.5000 20476.7788 14500.6970 256.8928 -202162.3340 2038.6421 0.0000 0.0000 51934.8131 -108972.0102 298.4701 -160906.8234 -108619.0265 298.7879 -188.0152 -159.0689 763105.2133 -13.1252 -13.0193 PRESSURE: 4083600 364.823 -132.163 -180.343 -132.163 19.9551 163.769 -180.343 163.769 -23.4599 GPRESSURE: 4083600 389.699 -106.977 -119.305 -117.86 102.826 153.319 -217.109 -91.1634 -36.2643 PRESSAVG: 4083600 -4.81951 15.5662 41.6592 15.5662 10.5036 -11.227 41.6592 -11.2271 19.7804 GPRESSAVG: 4083600 -4.5492 16.0602 41.3315 14.3946 10.0194 -10.0041 40.1933 -13.1901 20.4735 TIMING: 4083600 CPU: 12755.7, 0.00311763/step Wall: 12755.7, 0.00311763/step, 0.793611 hours remaining, 235.937500 MB of memory in use. ENERGY: 4083600 3952.7836 20463.9053 14480.5007 248.9133 -203094.7973 2721.0674 0.0000 0.0000 52100.5046 -109127.1225 299.4223 -161227.6270 -108761.3929 299.5580 120.4393 152.0868 761177.4670 8.4882 8.6479 PRESSURE: 4083800 295.142 -120.782 -154.792 -120.782 -435.189 -55.4857 -154.793 -55.4852 -125.84 GPRESSURE: 4083800 240.924 -61.7368 -174.924 -90.3111 -379.769 -2.42919 -64.8072 -61.5253 -62.0129 PRESSAVG: 4083800 -1.58014 -6.1766 47.7288 -6.1767 5.56933 31.4707 47.7288 31.4707 -17.248 GPRESSAVG: 4083800 -2.98709 -6.20594 48.0816 -5.70915 6.3374 30.3292 48.4964 32.3821 -16.6507 TIMING: 4083800 CPU: 12756.3, 0.00311667/step Wall: 12756.3, 0.00311667/step, 0.793192 hours remaining, 235.937500 MB of memory in use. ENERGY: 4083800 4025.2492 20605.4700 14497.3003 252.3408 -203071.8371 2539.3285 0.0000 0.0000 51961.9414 -109190.2069 298.6260 -161152.1483 -108827.1186 299.2133 -88.6293 -66.9528 763342.7644 -4.4196 -4.4334 PRESSURE: 4084000 40.5928 -108.541 -140.681 -108.541 -50.9505 67.4865 -140.681 67.4863 -280.949 GPRESSURE: 4084000 90.2213 -50.6507 -128.87 -73.7809 18.097 190.6 -260.845 29.5087 -329.212 PRESSAVG: 4084000 -1.40572 6.94196 -42.257 6.94194 -38.2096 40.2565 -42.2569 40.2565 14.6889 GPRESSAVG: 4084000 -0.972887 7.59641 -42.4463 8.06641 -38.7161 41.5703 -41.796 39.1126 15.271 TIMING: 4084000 CPU: 12756.9, 0.00310039/step Wall: 12756.9, 0.00310039/step, 0.788878 hours remaining, 235.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4084000 3947.3750 20442.1549 14530.5135 229.6807 -203114.1306 2858.5840 0.0000 0.0000 51978.6166 -109127.2059 298.7218 -161105.8225 -108758.6735 299.0668 -97.1024 -73.6311 762574.5660 -8.3088 -8.1393 PRESSURE: 4084200 -198.822 74.4864 57.822 74.4864 -272.117 -64.9195 57.8228 -64.9202 34.0785 GPRESSURE: 4084200 -200.748 101.471 -39.7095 53.3284 -109.602 -226.659 119.217 -110.432 -30.3388 PRESSAVG: 4084200 13.2101 24.5205 19.4193 24.5206 8.37512 34.3284 19.4193 34.3283 -9.10912 GPRESSAVG: 4084200 13.9084 22.5526 18.3959 24.2855 7.36595 33.6006 19.2495 33.834 -9.00456 TIMING: 4084200 CPU: 12757.5, 0.00311179/step Wall: 12757.5, 0.00311179/step, 0.791606 hours remaining, 235.937500 MB of memory in use. ENERGY: 4084200 4001.8476 20384.0485 14493.7670 234.1397 -202731.2839 2402.2183 0.0000 0.0000 52057.7214 -109157.5414 299.1764 -161215.2628 -108795.3096 299.5680 -145.6201 -113.5627 762548.5300 4.1587 4.0899 LDB: ============= START OF LOAD BALANCING ============== 12770 LDB: ============== END OF LOAD BALANCING =============== 12770 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12770 LDB: ============= START OF LOAD BALANCING ============== 12770.3 LDB: Largest compute 7048 load 0.030799 is 15.8% of average load 0.195328 LDB: Average compute 0.004397 is 2.3% of average load 0.195328 LDB: TIME 12770.3 LOAD: AVG 0.195328 MAX 0.221587 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.035 MB LDB: TIME 12770.3 LOAD: AVG 0.195328 MAX 0.221587 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.039 MB LDB: TIME 12770.3 LOAD: AVG 0.195328 MAX 0.216154 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.039 MB LDB: ============== END OF LOAD BALANCING =============== 12770.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12770.3 PRESSURE: 4084400 -293.143 126.899 29.811 126.899 -288.009 42.0347 29.8115 42.0355 -292.253 GPRESSURE: 4084400 -164.977 135.133 69.4154 166.664 -332.817 38.3155 3.04832 132.729 -300.339 PRESSAVG: 4084400 34.3354 41.8335 -30.5396 41.8335 -6.03933 30.4299 -30.5395 30.4298 -5.96922 GPRESSAVG: 4084400 35.5201 42.8653 -29.2501 41.3132 -5.5776 32.3826 -32.6267 30.4273 -7.9233 TIMING: 4084400 CPU: 12758.2, 0.00317771/step Wall: 12758.2, 0.00317771/step, 0.808197 hours remaining, 235.394531 MB of memory in use. ENERGY: 4084400 3943.3271 20338.0584 14486.2678 246.8438 -202849.6156 2474.0740 0.0000 0.0000 52108.8606 -109252.1839 299.4703 -161361.0445 -108884.5107 299.0005 -291.1348 -266.0443 762217.9519 7.4423 7.3397 PRESSURE: 4084600 -179.212 282.882 -125.216 282.882 173.356 -253.715 -125.216 -253.715 -146.439 GPRESSURE: 4084600 -178.763 217.647 -118.879 313.489 157.629 -188.845 -68.6668 -175.399 -34.8788 PRESSAVG: 4084600 -25.5707 35.2565 -10.8634 35.2565 20.4941 83.8017 -10.8634 83.8017 11.881 GPRESSAVG: 4084600 -27.0168 36.2052 -11.4107 35.5983 19.4244 82.3678 -8.7038 83.9681 14.246 TIMING: 4084600 CPU: 12758.8, 0.00311195/step Wall: 12758.8, 0.00311195/step, 0.791299 hours remaining, 235.800781 MB of memory in use. ENERGY: 4084600 3924.2202 20437.1537 14551.4119 244.2439 -202844.6007 2548.1313 0.0000 0.0000 52060.3738 -109079.0658 299.1917 -161139.4395 -108719.6510 299.1404 -50.7651 -18.6710 761913.8791 2.2681 2.2179 PRESSURE: 4084800 -256.878 -51.1843 -313.053 -51.1836 131.011 2.15354 -313.054 2.15331 243.741 GPRESSURE: 4084800 -208.641 -137.251 -268.993 18.9213 161.058 -6.48889 -259.756 73.9268 234.093 PRESSAVG: 4084800 -4.00082 23.4056 -39.1551 23.4056 26.8158 40.4759 -39.1552 40.4759 -0.35938 GPRESSAVG: 4084800 -2.51913 21.5594 -37.4918 24.2958 27.1972 38.2685 -39.8158 43.1554 -1.53487 TIMING: 4084800 CPU: 12759.4, 0.00309339/step Wall: 12759.4, 0.00309339/step, 0.786408 hours remaining, 235.871094 MB of memory in use. ENERGY: 4084800 3978.3014 20429.0692 14497.3019 243.9507 -202673.3459 2330.8148 0.0000 0.0000 51990.2372 -109203.6707 298.7886 -161193.9080 -108834.8213 299.3742 39.2915 62.1700 761056.4926 7.4852 7.7144 PRESSURE: 4085000 -487.371 -23.151 67.5095 -23.1514 106.19 68.1583 67.5095 68.1578 110.591 GPRESSURE: 4085000 -407.988 2.21793 114.479 -137.918 120.644 -6.92296 111.724 79.7584 94.9094 PRESSAVG: 4085000 17.758 -53.2287 15.5807 -53.2287 -13.9208 23.8437 15.5807 23.8437 -27.6176 GPRESSAVG: 4085000 15.8543 -52.6804 15.7097 -55.1231 -11.8769 23.3832 15.9755 22.8148 -27.9166 TIMING: 4085000 CPU: 12760, 0.00309775/step Wall: 12760, 0.00309775/step, 0.787346 hours remaining, 235.871094 MB of memory in use. ENERGY: 4085000 4021.6256 20491.0382 14512.4203 246.8991 -203007.2093 2614.3331 0.0000 0.0000 52029.5069 -109091.3860 299.0143 -161120.8930 -108726.8336 298.9249 -90.1967 -64.1448 762568.1623 -7.9268 -7.9798 PRESSURE: 4085200 -81.3443 39.3421 -91.3038 39.3418 23.7881 225.066 -91.3039 225.068 -44.3578 GPRESSURE: 4085200 -51.5505 10.2724 -2.93311 15.5326 63.8017 258.15 -53.2058 138.529 -30.3553 PRESSAVG: 4085200 -14.4237 -7.38807 21.9035 -7.38805 -3.60758 -1.67844 21.9035 -1.67837 -6.73912 GPRESSAVG: 4085200 -13.178 -6.82413 19.6412 -7.70796 -5.82159 0.467481 22.7884 -3.15288 -6.43635 TIMING: 4085200 CPU: 12760.7, 0.00311334/step Wall: 12760.7, 0.00311334/step, 0.791134 hours remaining, 235.871094 MB of memory in use. ENERGY: 4085200 4111.4822 20567.7354 14468.8121 253.6751 -203117.5717 2740.0440 0.0000 0.0000 52034.4377 -108941.3853 299.0426 -160975.8230 -108596.7662 299.6556 -33.9713 -6.0347 762930.4659 -8.2568 -8.4786 PRESSURE: 4085400 -142.925 15.0273 -221.393 15.0271 26.2726 154.676 -221.393 154.677 -125.86 GPRESSURE: 4085400 -208.173 12.2703 -289.115 98.5999 164.415 115.198 -123.111 189.971 -114.974 PRESSAVG: 4085400 -41.2944 16.0076 -14.5589 16.0076 3.04008 21.267 -14.5589 21.267 10.9849 GPRESSAVG: 4085400 -43.0121 16.071 -14.1328 17.5139 4.30528 21.208 -13.6053 21.182 11.0906 TIMING: 4085400 CPU: 12761.3, 0.00312258/step Wall: 12761.3, 0.00312258/step, 0.793308 hours remaining, 235.871094 MB of memory in use. ENERGY: 4085400 3975.0526 20516.5278 14453.4251 258.2477 -203361.8945 2758.9127 0.0000 0.0000 52382.7239 -109017.0047 301.0442 -161399.7286 -108651.4065 300.0018 -80.8374 -52.9107 762678.0104 -9.0898 -9.2054 PRESSURE: 4085600 -29.4641 -179.304 9.47785 -179.303 86.6007 -12.4655 9.47929 -12.4656 334.777 GPRESSURE: 4085600 136.03 -116.674 -13.4929 -192.656 20.2851 59.335 81.7561 94.1629 323.938 PRESSAVG: 4085600 34.6175 7.11734 -17.6053 7.11738 -13.7777 24.75 -17.6052 24.75 8.84309 GPRESSAVG: 4085600 35.7198 8.59524 -14.533 5.65389 -14.864 25.0235 -21.0158 24.215 8.46987 TIMING: 4085600 CPU: 12761.9, 0.00309803/step Wall: 12761.9, 0.00309803/step, 0.786899 hours remaining, 235.871094 MB of memory in use. ENERGY: 4085600 4040.3977 20593.8514 14491.5678 236.8672 -203206.4434 2653.1933 0.0000 0.0000 52079.5807 -109110.9853 299.3021 -161190.5659 -108746.3430 299.8537 130.6378 160.0845 762378.4085 9.8943 9.7752 PRESSURE: 4085800 79.3906 142.493 -177.38 142.493 183.71 -52.9046 -177.38 -52.9048 -146.388 GPRESSURE: 4085800 44.5475 195.545 -164.32 58.9378 259.039 -118.795 -57.2441 -27.2123 -109.414 PRESSAVG: 4085800 50.9359 -53.4129 10.1411 -53.4129 -41.1407 9.52215 10.1411 9.52219 -8.03039 GPRESSAVG: 4085800 50.5261 -53.1211 9.05153 -54.3465 -40.0154 9.19102 11.1371 10.2218 -8.79493 TIMING: 4085800 CPU: 12762.5, 0.00310796/step Wall: 12762.5, 0.00310796/step, 0.78925 hours remaining, 235.871094 MB of memory in use. ENERGY: 4085800 4084.9364 20610.9450 14352.9073 266.6163 -203094.8598 2624.3052 0.0000 0.0000 52171.1524 -108983.9972 299.8283 -161155.1496 -108629.6261 299.8917 38.9044 64.7241 762035.9669 0.5883 0.5719 PRESSURE: 4086000 -104.01 92.4216 -160.781 92.421 -252.545 -161.376 -160.78 -161.375 -215.868 GPRESSURE: 4086000 -68.6628 10.107 -143.48 164.685 -217.053 -49.8723 -207.507 -160.143 -209.546 PRESSAVG: 4086000 72.5933 63.8125 58.0815 63.8125 -52.7862 27.7651 58.0815 27.765 2.9996 GPRESSAVG: 4086000 72.2357 62.7248 55.282 64.82 -53.1072 28.2224 59.4763 26.4646 3.62549 TIMING: 4086000 CPU: 12763.2, 0.00311924/step Wall: 12763.2, 0.00311924/step, 0.791939 hours remaining, 235.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4086000 4075.9070 20644.6641 14435.6763 260.6253 -203400.9622 2619.6329 0.0000 0.0000 52084.6412 -109279.8154 299.3311 -161364.4566 -108907.7490 300.1206 -190.8077 -165.0871 763011.9659 7.6022 7.5847 PRESSURE: 4086200 -62.3638 114.755 143.421 114.755 -172.986 -15.0902 143.421 -15.091 -221.706 GPRESSURE: 4086200 -100.576 49.841 148.361 146.562 -161.668 69.9205 102.212 -22.1874 -123.129 PRESSAVG: 4086200 38.4994 16.8234 9.8681 16.8234 -72.3908 -26.0444 9.86804 -26.0445 -17.2564 GPRESSAVG: 4086200 39.0374 17.1177 11.6404 18.1171 -72.2482 -25.0273 6.8523 -24.9582 -17.9529 TIMING: 4086200 CPU: 12763.8, 0.00310998/step Wall: 12763.8, 0.00310998/step, 0.789417 hours remaining, 235.871094 MB of memory in use. ENERGY: 4086200 4011.7299 20721.5344 14457.3791 238.1007 -203274.1461 2492.0578 0.0000 0.0000 51927.3060 -109426.0383 298.4269 -161353.3442 -109061.6787 299.0185 -152.3519 -128.4576 763951.8942 -17.0493 -17.0546 PRESSURE: 4086400 27.1966 72.6925 121.821 72.691 1.11784 115.912 121.821 115.912 -374.807 GPRESSURE: 4086400 82.916 146.152 227.335 -36.3378 -3.87198 192.537 296.34 -75.7651 -366.328 PRESSAVG: 4086400 -6.58483 -26.9647 107.47 -26.9646 28.5798 1.44716 107.47 1.44719 13.6821 GPRESSAVG: 4086400 -6.29516 -27.3399 108.808 -28.4375 29.1186 1.60848 109.588 1.58322 12.5517 TIMING: 4086400 CPU: 12764.4, 0.00310475/step Wall: 12764.4, 0.00310475/step, 0.787917 hours remaining, 235.871094 MB of memory in use. ENERGY: 4086400 4005.4530 20605.4501 14437.3577 235.9988 -203354.1103 2763.6721 0.0000 0.0000 51853.9243 -109452.2543 298.0052 -161306.1786 -109088.3164 299.1835 -115.4976 -95.7612 761917.6110 11.8923 11.7917 PRESSURE: 4086600 46.7853 35.6752 -243.184 35.6754 -194.111 72.0805 -243.184 72.0809 265.778 GPRESSURE: 4086600 57.1885 -32.4248 -227.357 37.9665 -109.098 89.9941 -170.796 55.9249 259.252 PRESSAVG: 4086600 56.5233 -13.6859 58.0154 -13.686 -11.5502 -43.2798 58.0154 -43.2798 -7.49206 GPRESSAVG: 4086600 55.6639 -14.7145 56.283 -13.7445 -12.2959 -42.1614 56.7445 -44.9019 -5.87418 TIMING: 4086600 CPU: 12765, 0.00310448/step Wall: 12765, 0.00310448/step, 0.787675 hours remaining, 235.871094 MB of memory in use. ENERGY: 4086600 3978.4199 20547.6704 14517.0910 247.3724 -203170.7813 2706.9592 0.0000 0.0000 51875.9781 -109297.2902 298.1320 -161173.2683 -108937.2632 298.9048 39.4839 69.1142 763646.9458 12.4937 12.4979 PRESSURE: 4086800 -344.305 58.495 6.05863 58.4948 -169.443 -120.776 6.05893 -120.777 -52.8693 GPRESSURE: 4086800 -308.573 18.1953 -78.5882 81.6507 -107.155 -7.02727 -69.2719 -130.16 -46.5239 PRESSAVG: 4086800 -12.9956 -0.512221 9.91976 -0.512241 -44.141 45.9356 9.91977 45.9355 31.7784 GPRESSAVG: 4086800 -13.4675 0.713186 9.93895 -0.179966 -43.1731 44.4962 10.1613 46.4655 31.1915 TIMING: 4086800 CPU: 12765.6, 0.00311785/step Wall: 12765.6, 0.00311785/step, 0.790894 hours remaining, 235.941406 MB of memory in use. ENERGY: 4086800 3982.7923 20586.8670 14454.8970 226.1051 -203496.4203 2487.3287 0.0000 0.0000 52124.0690 -109634.3611 299.5577 -161758.4301 -109273.9804 298.7342 -188.8724 -154.0837 762556.3271 -8.4528 -8.4830 PRESSURE: 4087000 -28.3789 29.4014 -24.7865 29.4013 -47.4164 -12.5754 -24.7872 -12.5767 -376.868 GPRESSURE: 4087000 6.04315 -24.0599 -59.5519 98.2883 -22.2416 8.10465 -105.777 23.1684 -341.438 PRESSAVG: 4087000 34.8589 -18.2488 19.8446 -18.2487 -36.5324 19.7101 19.8447 19.7101 -19.4204 GPRESSAVG: 4087000 35.3955 -19.0015 18.9121 -18.9033 -37.3075 19.1796 20.595 23.198 -19.4793 TIMING: 4087000 CPU: 12766.3, 0.00309519/step Wall: 12766.3, 0.00309519/step, 0.784975 hours remaining, 235.941406 MB of memory in use. ENERGY: 4087000 3980.5246 20537.2894 14432.5210 241.2786 -203669.0777 2891.9070 0.0000 0.0000 51908.0269 -109677.5303 298.3161 -161585.5572 -109315.4006 298.9773 -150.8876 -119.2121 760030.6895 -7.0313 -7.1304 PRESSURE: 4087200 172.412 201.742 -100.379 201.742 -58.7789 159.352 -100.38 159.351 504.789 GPRESSURE: 4087200 208.118 306.105 16.6094 282.047 28.6011 190.12 -24.2697 -6.4488 460.814 PRESSAVG: 4087200 29.448 -17.4787 -22.688 -17.4787 6.63829 18.6628 -22.688 18.6628 0.14602 GPRESSAVG: 4087200 28.7202 -16.7192 -22.834 -14.6115 6.95532 19.48 -24.0481 16.6999 -0.0355737 TIMING: 4087200 CPU: 12766.9, 0.00312826/step Wall: 12766.9, 0.00312826/step, 0.793189 hours remaining, 235.941406 MB of memory in use. ENERGY: 4087200 3998.5152 20433.8998 14409.3471 257.5481 -203361.6490 2838.0371 0.0000 0.0000 51913.0760 -109511.2256 298.3452 -161424.3017 -109147.6187 298.7584 206.1407 232.5113 763387.6578 12.0774 11.8800 PRESSURE: 4087400 -56.6964 -228.383 114.922 -228.383 -146.362 39.2634 114.922 39.2623 -196.624 GPRESSURE: 4087400 -12.311 -193.839 147.326 -194.568 -192.011 -41.2857 37.5961 73.0886 -117.446 PRESSAVG: 4087400 -4.69697 -24.3413 3.35712 -24.3413 0.746742 7.35975 3.35715 7.35964 2.852 GPRESSAVG: 4087400 -5.75053 -25.6598 3.97195 -25.8957 1.08233 5.13525 4.8228 8.01747 2.84975 TIMING: 4087400 CPU: 12767.5, 0.00311794/step Wall: 12767.5, 0.00311794/step, 0.790399 hours remaining, 235.941406 MB of memory in use. ENERGY: 4087400 3936.1593 20635.1475 14451.9747 247.4802 -203625.0008 2777.9970 0.0000 0.0000 52021.1494 -109555.0927 298.9663 -161576.2421 -109184.4209 298.6198 -133.2276 -107.2560 763929.6554 -0.3661 -0.6061 PRESSURE: 4087600 -138.461 126.217 128.011 126.217 34.8723 17.3097 128.011 17.3079 -59.9329 GPRESSURE: 4087600 -96.5285 53.2027 79.0668 204.699 32.7209 52.4114 97.2236 47.6962 1.69964 PRESSAVG: 4087600 1.22426 -36.7941 -9.48384 -36.7941 -11.4214 -35.1297 -9.4839 -35.1297 8.40727 GPRESSAVG: 4087600 0.312279 -37.1814 -10.8574 -34.9374 -10.4735 -32.9579 -10.53 -35.4747 8.38506 TIMING: 4087600 CPU: 12768.1, 0.00312665/step Wall: 12768.1, 0.00312665/step, 0.792431 hours remaining, 235.941406 MB of memory in use. ENERGY: 4087600 4018.1826 20550.9916 14424.9804 261.3419 -203210.7482 2493.9468 0.0000 0.0000 52096.5187 -109364.7863 299.3994 -161461.3050 -108995.2084 298.8920 -54.5072 -20.7026 762253.6742 -0.5966 -0.5921 PRESSURE: 4087800 -478.639 220.397 -250.522 220.397 137.051 -7.71547 -250.523 -7.71614 107.791 GPRESSURE: 4087800 -331.543 123.739 -175.089 184.383 145.272 67.4045 -209.509 29.2377 36.9121 PRESSAVG: 4087800 -28.9305 25.0918 8.02263 25.0918 47.4761 14.6489 8.02274 14.6488 -3.09565 GPRESSAVG: 4087800 -26.5872 27.1037 8.25976 24.6692 46.0925 14.5005 8.1192 13.8907 -3.87018 TIMING: 4087800 CPU: 12768.8, 0.00311817/step Wall: 12768.8, 0.00311817/step, 0.790109 hours remaining, 235.941406 MB of memory in use. ENERGY: 4087800 4028.6124 20510.5255 14478.1207 241.6429 -203319.2934 2653.7218 0.0000 0.0000 52059.4280 -109347.2422 299.1862 -161406.6702 -108980.6683 298.8214 -77.9324 -49.7862 762630.4324 5.1500 5.2117 PRESSURE: 4088000 -50.5265 -173.803 36.9781 -173.804 -86.8095 130.288 36.9777 130.288 29.4786 GPRESSURE: 4088000 -36.7615 -134.303 19.4433 -331.241 -36.5815 122.434 -21.7024 123.934 64.077 PRESSAVG: 4088000 -9.21846 -19.8665 -39.7983 -19.8665 10.0937 -7.83901 -39.7983 -7.83898 2.19068 GPRESSAVG: 4088000 -9.42558 -22.818 -39.8759 -21.2592 9.40513 -8.67659 -38.5509 -7.83575 3.61803 TIMING: 4088000 CPU: 12769.4, 0.00311552/step Wall: 12769.4, 0.00311552/step, 0.789265 hours remaining, 235.941406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4088000 4006.1851 20660.8164 14539.1569 231.9605 -203395.7325 2568.8503 0.0000 0.0000 52052.7806 -109335.9826 299.1480 -161388.7632 -108967.2230 299.3183 -35.9525 -3.0887 761285.1934 1.0220 1.1992 PRESSURE: 4088200 -387.9 -145.62 171.851 -145.619 -126.271 309.402 171.852 309.402 -32.8084 GPRESSURE: 4088200 -201.772 -175.376 225.233 -169.651 -182.044 263.764 121.95 316.028 -101.019 PRESSAVG: 4088200 -17.2407 -3.70561 -26.2098 -3.70562 45.0666 -29.0115 -26.2098 -29.0116 30.7982 GPRESSAVG: 4088200 -17.039 -3.95262 -26.7485 -3.72942 45.1558 -29.0131 -26.8428 -28.7806 29.5465 TIMING: 4088200 CPU: 12770, 0.00312624/step Wall: 12770, 0.00312624/step, 0.791807 hours remaining, 235.941406 MB of memory in use. ENERGY: 4088200 3981.5657 20521.1169 14450.8821 236.1762 -203213.3282 2518.4827 0.0000 0.0000 52189.2306 -109315.8739 299.9322 -161505.1044 -108956.9483 299.8538 -182.3265 -161.6117 762319.8896 19.5414 19.2211 LDB: ============= START OF LOAD BALANCING ============== 12782.5 LDB: ============== END OF LOAD BALANCING =============== 12782.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12782.5 LDB: ============= START OF LOAD BALANCING ============== 12782.8 LDB: Largest compute 6989 load 0.028168 is 14.4% of average load 0.195235 LDB: Average compute 0.004411 is 2.3% of average load 0.195235 LDB: TIME 12782.8 LOAD: AVG 0.195235 MAX 0.215794 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.77 MB LDB: TIME 12782.8 LOAD: AVG 0.195235 MAX 0.215794 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.773 MB LDB: TIME 12782.8 LOAD: AVG 0.195235 MAX 0.215794 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.773 MB LDB: ============== END OF LOAD BALANCING =============== 12782.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12782.8 PRESSURE: 4088400 217.283 -288.742 -132.17 -288.742 -108.226 138.644 -132.171 138.643 -218.116 GPRESSURE: 4088400 128.169 -256.23 -112.785 -214.355 -14.9595 110.451 29.4208 139.405 -134.528 PRESSAVG: 4088400 13.669 -45.0845 -7.20369 -45.0845 -19.7315 -5.00661 -7.20362 -5.00664 -26.3713 GPRESSAVG: 4088400 12.1901 -44.6301 -6.21331 -44.9021 -18.6759 -4.38459 -8.94994 -6.21996 -25.8469 TIMING: 4088400 CPU: 12770.6, 0.00320641/step Wall: 12770.6, 0.00320641/step, 0.811934 hours remaining, 233.546875 MB of memory in use. ENERGY: 4088400 4024.5204 20477.2423 14472.1143 222.7497 -203127.8066 2524.4481 0.0000 0.0000 52117.6653 -109289.0666 299.5209 -161406.7319 -108919.9671 299.0504 -36.3530 -7.1063 763088.4480 -10.8113 -10.7776 PRESSURE: 4088600 12.4952 -27.2476 4.94278 -27.2477 -186.952 136.474 4.94255 136.473 -147.601 GPRESSURE: 4088600 29.296 117.546 -40.453 24.3242 -67.3894 48.1457 46.1665 54.6356 -205.354 PRESSAVG: 4088600 10.1443 -26.7918 -52.2214 -26.7918 -34.9254 -57.0818 -52.2214 -57.0817 34.6732 GPRESSAVG: 4088600 9.30629 -25.2577 -50.2794 -27.7236 -34.877 -58.1646 -49.3905 -57.9202 34.9403 TIMING: 4088600 CPU: 12771.3, 0.00314054/step Wall: 12771.3, 0.00314054/step, 0.79508 hours remaining, 233.546875 MB of memory in use. ENERGY: 4088600 4045.0717 20452.5547 14420.0540 250.4595 -203356.2012 2736.5643 0.0000 0.0000 52193.6844 -109257.8126 299.9578 -161451.4970 -108898.7295 299.0153 -107.3526 -81.1491 761196.9530 3.2974 3.1232 PRESSURE: 4088800 -383.83 -168.044 99.2277 -168.045 -165.985 -136.413 99.2268 -136.414 188.544 GPRESSURE: 4088800 -344.448 -39.4035 133.198 -31.5201 -157.91 -156.183 -12.3479 -29.116 248.52 PRESSAVG: 4088800 -13.8746 -28.8007 9.569 -28.8006 -28.0921 -47.8591 9.56896 -47.8592 -23.2851 GPRESSAVG: 4088800 -14.2745 -30.2955 8.72566 -27.4384 -27.9984 -45.9999 7.11205 -46.5338 -23.0286 TIMING: 4088800 CPU: 12771.9, 0.00312809/step Wall: 12771.9, 0.00312809/step, 0.791754 hours remaining, 233.546875 MB of memory in use. ENERGY: 4088800 3894.6059 20535.3241 14477.7996 244.2980 -202896.4017 2316.8730 0.0000 0.0000 52231.5374 -109195.9636 300.1754 -161427.5010 -108832.4364 299.0830 -120.4236 -84.6128 760651.0875 -21.7506 -21.7672 PRESSURE: 4089000 43.8562 -146.256 95.4836 -146.256 -271.334 -68.0275 95.4827 -68.0292 -81.8832 GPRESSURE: 4089000 13.912 -72.4274 58.8692 -272.696 -158.286 -116.207 74.7241 -91.3928 -74.7152 PRESSAVG: 4089000 2.47073 7.19966 -12.4339 7.19969 6.15121 -4.15495 -12.4339 -4.15498 6.46986 GPRESSAVG: 4089000 2.80238 7.65467 -12.5553 5.71384 5.97406 -6.36059 -11.6698 -4.33646 6.40688 TIMING: 4089000 CPU: 12772.5, 0.00313001/step Wall: 12772.5, 0.00313001/step, 0.792066 hours remaining, 233.781250 MB of memory in use. ENERGY: 4089000 3993.4644 20637.1705 14517.7319 242.7467 -203034.2930 2597.7470 0.0000 0.0000 51990.9904 -109054.4423 298.7929 -161045.4326 -108688.1091 300.0701 -103.1204 -73.0297 761281.2906 5.0306 5.0611 PRESSURE: 4089200 -80.3283 206.808 -118.053 206.808 148.987 11.9882 -118.053 11.9883 -150.253 GPRESSURE: 4089200 -34.0254 112.426 -39.8297 99.6668 198.28 154.341 -114.993 16.6765 -156.168 PRESSAVG: 4089200 -9.78887 -16.418 36.3183 -16.418 -28.1417 27.7027 36.3184 27.7027 8.13476 GPRESSAVG: 4089200 -9.15871 -16.4325 35.4489 -15.6903 -28.2179 29.2408 35.9581 28.389 7.85265 TIMING: 4089200 CPU: 12773.2, 0.00313384/step Wall: 12773.2, 0.00313384/step, 0.792862 hours remaining, 233.781250 MB of memory in use. ENERGY: 4089200 3947.5569 20680.9685 14513.5229 249.3685 -203082.4185 2699.0918 0.0000 0.0000 52100.8582 -108891.0516 299.4243 -160991.9098 -108534.5301 300.0903 -27.1983 2.6956 762941.4096 -9.9319 -9.8413 PRESSURE: 4089400 98.3751 5.97674 -329.075 5.97714 431.513 -214.007 -329.076 -214.007 47.8916 GPRESSURE: 4089400 56.5304 -24.0209 -406.144 -36.9734 475.036 -185.457 -258.896 -204.806 123.002 PRESSAVG: 4089400 -25.2421 -3.74162 -31.7129 -3.74164 -20.3684 0.895883 -31.7129 0.895862 8.69527 GPRESSAVG: 4089400 -25.9644 -3.35857 -28.8831 -3.92751 -20.0174 1.1492 -31.4378 0.706651 9.26831 TIMING: 4089400 CPU: 12773.8, 0.00315271/step Wall: 12773.8, 0.00315271/step, 0.797461 hours remaining, 233.781250 MB of memory in use. ENERGY: 4089400 3894.4865 20508.6181 14496.6987 248.7270 -203502.3497 3023.1782 0.0000 0.0000 52174.4107 -109156.2306 299.8471 -161330.6413 -108787.6497 299.4954 192.5931 218.1894 762902.9033 -12.3051 -12.2378 PRESSURE: 4089600 -307.996 -130.444 -134.031 -130.444 40.8173 70.7256 -134.031 70.7259 266.463 GPRESSURE: 4089600 -294.831 -219.213 -78.7108 46.8166 151.234 105.212 -128.369 74.6262 219.949 PRESSAVG: 4089600 27.2979 46.5084 33.1185 46.5084 26.172 -26.9806 33.1185 -26.9806 -2.52726 GPRESSAVG: 4089600 28.4433 45.9858 31.3767 48.3394 25.4406 -27.257 34.4363 -26.562 -3.03505 TIMING: 4089600 CPU: 12774.4, 0.00312326/step Wall: 12774.4, 0.00312326/step, 0.789837 hours remaining, 233.835938 MB of memory in use. ENERGY: 4089600 3933.1255 20553.9513 14414.8787 238.9894 -203355.9316 2645.6323 0.0000 0.0000 52454.3618 -109114.9925 301.4559 -161569.3544 -108752.2501 299.4022 -0.2386 25.4507 762015.6039 16.9809 16.9496 PRESSURE: 4089800 13.9229 147.049 -83.1854 147.05 168.108 14.1019 -83.1855 14.1018 147.409 GPRESSURE: 4089800 62.3947 176.484 -6.84746 104.197 159.202 -44.6299 -52.1287 67.8067 189.703 PRESSAVG: 4089800 4.29589 10.3588 49.6308 10.3588 30.6913 37.2578 49.6308 37.2578 -26.2985 GPRESSAVG: 4089800 4.05941 10.8182 47.9035 9.52416 30.6906 37.8046 49.2524 35.0785 -26.561 TIMING: 4089800 CPU: 12775, 0.00310833/step Wall: 12775, 0.00310833/step, 0.78589 hours remaining, 233.835938 MB of memory in use. ENERGY: 4089800 3976.5327 20516.6671 14447.6487 248.6302 -202910.0302 2654.6174 0.0000 0.0000 51972.4030 -109093.5311 298.6861 -161065.9341 -108729.8762 299.0549 109.8132 137.1000 761373.0479 2.8962 2.7297 PRESSURE: 4090000 211.304 103.368 242.504 103.369 -277.133 -154.061 242.503 -154.062 -267.068 GPRESSURE: 4090000 177.769 172.134 256.403 23.5511 -148.3 -192.106 41.0919 -179.861 -269.547 PRESSAVG: 4090000 -37.6688 -15.3111 51.3425 -15.311 23.8597 -28.8587 51.3425 -28.8586 25.9378 GPRESSAVG: 4090000 -37.6915 -13.7598 52.5109 -17.9885 24.2403 -29.6262 51.3634 -27.5096 25.5841 TIMING: 4090000 CPU: 12775.7, 0.0031246/step Wall: 12775.7, 0.0031246/step, 0.789829 hours remaining, 233.835938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4090000 3943.8099 20566.9817 14466.4928 236.3662 -202999.4672 2723.8321 0.0000 0.0000 51987.7312 -109074.2533 298.7742 -161061.9845 -108714.1785 299.7750 -110.9656 -80.0260 761995.4044 4.0429 4.0443 PRESSURE: 4090200 0.033552 101.37 11.2735 101.37 199.095 -133.143 11.2732 -133.144 -281.164 GPRESSURE: 4090200 -8.37805 210.053 -105.417 156.75 222.837 -88.26 202.286 -55.0724 -201.466 PRESSAVG: 4090200 14.571 -47.1752 3.05334 -47.1752 -40.8037 -15.0465 3.05333 -15.0465 -38.465 GPRESSAVG: 4090200 13.9817 -48.2831 3.21842 -46.8007 -40.7345 -15.6269 3.58167 -13.9003 -37.7672 TIMING: 4090200 CPU: 12776.3, 0.00313151/step Wall: 12776.3, 0.00313151/step, 0.791402 hours remaining, 233.835938 MB of memory in use. ENERGY: 4090200 4074.1481 20509.1922 14461.5366 237.5039 -203138.6983 2607.7400 0.0000 0.0000 52165.7445 -109082.8331 299.7973 -161248.5776 -108715.1546 299.7974 -27.3449 4.3310 761832.8459 -21.5659 -21.5067 PRESSURE: 4090400 -411.002 99.4577 1.49344 99.4574 -317.632 -68.0701 1.49324 -68.0686 141.259 GPRESSURE: 4090400 -326.624 145.685 77.2162 36.2926 -318.741 -32.7656 115.632 -134.522 119.015 PRESSAVG: 4090400 12.7959 -25.6169 34.6954 -25.6169 22.6266 -30.3681 34.6954 -30.3681 -1.13058 GPRESSAVG: 4090400 12.941 -25.6223 34.6251 -23.0267 22.8009 -29.4756 34.2613 -31.9782 -1.54378 TIMING: 4090400 CPU: 12776.9, 0.00312302/step Wall: 12776.9, 0.00312302/step, 0.789083 hours remaining, 233.835938 MB of memory in use. ENERGY: 4090400 4002.5291 20553.9926 14486.1946 240.0378 -202969.9962 2428.0624 0.0000 0.0000 52183.4166 -109075.7630 299.8988 -161259.1797 -108718.6171 299.5515 -195.7915 -175.4502 762086.6922 11.4306 11.3994 PRESSURE: 4090600 -387.134 98.5208 -50.4958 98.5204 -110 -140.964 -50.4951 -140.964 -90.8487 GPRESSURE: 4090600 -326.859 9.81233 -52.374 51.6516 -21.4683 -234.913 -79.9963 -236.158 -138.565 PRESSAVG: 4090600 54.7891 -35.4019 -21.9336 -35.4019 -32.9464 9.79928 -21.9336 9.79926 19.743 GPRESSAVG: 4090600 55.6076 -34.0273 -19.6779 -35.8682 -33.9569 7.66456 -23.7251 9.80354 20.1759 TIMING: 4090600 CPU: 12777.5, 0.00312459/step Wall: 12777.5, 0.00312459/step, 0.789305 hours remaining, 233.835938 MB of memory in use. ENERGY: 4090600 3939.4486 20568.8278 14442.0598 247.5581 -203282.4094 2604.2712 0.0000 0.0000 52405.8436 -109074.4004 301.1771 -161480.2440 -108705.5370 299.6753 -195.9943 -162.2976 762442.6328 13.8619 13.9422 PRESSURE: 4090800 166.956 -152.737 110.529 -152.737 -448.558 -233.874 110.529 -233.873 -40.7401 GPRESSURE: 4090800 126.646 -51.7195 142.387 -198.251 -334.397 -150.817 -18.6819 -160.092 -40.3653 PRESSAVG: 4090800 -41.1684 -26.1809 20.982 -26.181 15.9706 3.59295 20.9819 3.59292 16.447 GPRESSAVG: 4090800 -41.5063 -26.1131 17.6879 -26.7485 16.5317 6.17466 21.4833 4.11002 16.266 TIMING: 4090800 CPU: 12778.2, 0.00311905/step Wall: 12778.2, 0.00311905/step, 0.787735 hours remaining, 233.835938 MB of memory in use. ENERGY: 4090800 4057.9007 20588.3792 14446.6787 234.4950 -203082.7600 2655.4918 0.0000 0.0000 52099.8698 -108999.9448 299.4187 -161099.8146 -108637.6369 299.7583 -107.4474 -82.7056 762557.5931 -2.9169 -2.9029 PRESSURE: 4091000 -55.6771 68.3181 110.72 68.3179 -237.844 -83.5115 110.72 -83.5116 -25.2653 GPRESSURE: 4091000 -26.0708 -18.6722 66.5852 -24.8584 -222.727 -37.3923 154.795 -89.1636 26.7561 PRESSAVG: 4091000 36.8605 -51.0691 44.0838 -51.0692 -36.7354 -57.1661 44.0838 -57.1661 9.79271 GPRESSAVG: 4091000 37.3484 -52.7455 45.7402 -51.0843 -38.27 -58.0163 45.1788 -57.2053 11.2177 TIMING: 4091000 CPU: 12778.8, 0.00311945/step Wall: 12778.8, 0.00311945/step, 0.787661 hours remaining, 233.835938 MB of memory in use. ENERGY: 4091000 4009.7930 20534.5600 14393.9519 254.9219 -203174.7989 2717.3255 0.0000 0.0000 52077.4766 -109186.7700 299.2900 -161264.2466 -108823.2529 299.6970 -106.2623 -74.0137 762043.0885 3.3060 3.4320 PRESSURE: 4091200 -184.756 -34.6029 -0.449532 -34.6024 -592.924 -76.1559 -0.449595 -76.1541 -276.986 GPRESSURE: 4091200 -219.178 -79.2402 -44.8866 -12.4479 -506.942 -35.9233 -67.2889 -104.877 -249.825 PRESSAVG: 4091200 87.2062 -4.92136 39.5646 -4.9214 -80.9777 -34.6376 39.5645 -34.6377 8.02218 GPRESSAVG: 4091200 85.965 -2.75656 39.7773 -4.45663 -78.9322 -34.1109 39.1792 -33.7325 7.37196 TIMING: 4091200 CPU: 12779.4, 0.0031044/step Wall: 12779.4, 0.0031044/step, 0.783688 hours remaining, 233.835938 MB of memory in use. ENERGY: 4091200 4075.5169 20692.3185 14446.6011 257.5491 -202867.3916 2217.9792 0.0000 0.0000 52056.1796 -109121.2472 299.1676 -161177.4268 -108762.5353 299.3401 -351.5553 -325.3152 761562.4655 4.7502 4.8016 PRESSURE: 4091400 -337.712 -30.8664 195.175 -30.8665 -293.122 -226.775 195.176 -226.777 -332.366 GPRESSURE: 4091400 -252.925 -77.2857 202.028 -35.4296 -297.812 -223.112 251.694 -209.765 -341.329 PRESSAVG: 4091400 30.8752 0.574018 23.7527 0.574012 -19.3775 20.0796 23.7528 20.0795 19 GPRESSAVG: 4091400 31.785 -1.82365 24.0666 1.54879 -19.236 19.9882 22.569 20.2801 18.4701 TIMING: 4091400 CPU: 12780, 0.00310971/step Wall: 12780, 0.00310971/step, 0.784856 hours remaining, 233.835938 MB of memory in use. ENERGY: 4091400 4001.8064 20573.1390 14406.0566 257.6267 -202732.3352 2340.0465 0.0000 0.0000 52066.4148 -109087.2452 299.2264 -161153.6599 -108722.6503 299.6550 -321.0666 -297.3553 761690.4473 10.1659 10.3397 PRESSURE: 4091600 -450.911 -149.289 -56.674 -149.288 -337.577 -347.145 -56.6752 -347.145 -115.695 GPRESSURE: 4091600 -335.628 -254.934 -33.7647 -161.66 -318.029 -318.178 -1.61066 -357.812 -157.767 PRESSAVG: 4091600 25.3431 8.01523 20.5826 8.01522 -1.70263 16.6604 20.5825 16.6604 -6.45639 GPRESSAVG: 4091600 26.4852 9.2048 20.4761 9.68504 -1.65567 17.0806 21.4896 16.8269 -7.30693 TIMING: 4091600 CPU: 12780.6, 0.00310609/step Wall: 12780.6, 0.00310609/step, 0.783769 hours remaining, 233.835938 MB of memory in use. ENERGY: 4091600 3985.3267 20648.1892 14433.9646 238.1557 -202944.3249 2338.7247 0.0000 0.0000 52058.8922 -109241.0718 299.1832 -161299.9640 -108883.5244 299.4253 -301.3944 -270.4750 762876.6899 5.7280 5.8409 PRESSURE: 4091800 -332.703 -264.742 9.93966 -264.741 -335.61 50.8701 9.9393 50.8702 -2.44277 GPRESSURE: 4091800 -290.276 -248.295 -33.2042 -160.026 -370.305 55.5367 -10.7075 -111.894 71.9255 PRESSAVG: 4091800 -50.8182 18.685 20.4378 18.685 -5.44192 70.9478 20.4378 70.9477 -8.06482 GPRESSAVG: 4091800 -51.3279 19.5872 19.8423 16.3288 -6.38101 69.4368 19.7375 70.5473 -6.85352 TIMING: 4091800 CPU: 12781.3, 0.00309939/step Wall: 12781.3, 0.00309939/step, 0.781906 hours remaining, 233.835938 MB of memory in use. ENERGY: 4091800 3973.5663 20588.2453 14426.7784 258.5486 -203086.0209 2451.8171 0.0000 0.0000 52208.6231 -109178.4422 300.0437 -161387.0653 -108811.8505 299.3827 -223.5853 -196.2186 761484.1233 -21.4417 -21.5208 PRESSURE: 4092000 410.658 -231.963 123.036 -231.963 -324.643 150.185 123.036 150.185 124.474 GPRESSURE: 4092000 412.889 -203.553 138.903 -155.755 -279.518 172.528 278.146 111.518 145.875 PRESSAVG: 4092000 -2.68491 0.453837 28.0406 0.453866 -47.0627 24.0354 28.0406 24.0354 1.29187 GPRESSAVG: 4092000 -2.97981 1.57176 27.8715 1.13517 -46.1138 25.2575 28.5997 24.1691 0.896275 TIMING: 4092000 CPU: 12781.9, 0.00310395/step Wall: 12781.9, 0.00310395/step, 0.782886 hours remaining, 233.835938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4092000 3949.8801 20620.9219 14423.1884 251.4754 -202813.8872 2534.8862 0.0000 0.0000 51955.8987 -109077.6366 298.5913 -161033.5353 -108723.3849 299.4447 70.1634 93.0820 761088.8825 -16.1519 -16.0658 PRESSURE: 4092200 -375.405 -104.423 -115.085 -104.422 8.211 85.4677 -115.086 85.4663 176.149 GPRESSURE: 4092200 -395.712 -146.506 -67.5887 -158.164 124.719 -5.92685 11.3239 -97.7914 130.101 PRESSAVG: 4092200 52.8631 -1.72824 31.5912 -1.72824 -55.9112 -24.5004 31.5912 -24.5004 0.202037 GPRESSAVG: 4092200 53.3743 -2.97462 32.6898 -2.05843 -56.3268 -22.9017 31.4881 -27.1586 -0.191338 TIMING: 4092200 CPU: 12782.5, 0.00312618/step Wall: 12782.5, 0.00312618/step, 0.788318 hours remaining, 233.835938 MB of memory in use. ENERGY: 4092200 3990.1507 20656.9562 14421.1568 255.5754 -202967.9903 2423.1736 0.0000 0.0000 52164.8546 -109056.1229 299.7921 -161220.9775 -108690.5421 299.1424 -63.6817 -46.9637 761445.5615 -0.9487 -1.0480 LDB: ============= START OF LOAD BALANCING ============== 12795 LDB: ============== END OF LOAD BALANCING =============== 12795 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12795 LDB: ============= START OF LOAD BALANCING ============== 12795.3 LDB: Largest compute 7011 load 0.029369 is 15.0% of average load 0.195211 LDB: Average compute 0.004412 is 2.3% of average load 0.195211 LDB: TIME 12795.3 LOAD: AVG 0.195211 MAX 0.215629 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.023 MB LDB: TIME 12795.3 LOAD: AVG 0.195211 MAX 0.215629 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.027 MB LDB: TIME 12795.3 LOAD: AVG 0.195211 MAX 0.215629 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.027 MB LDB: ============== END OF LOAD BALANCING =============== 12795.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12795.3 PRESSURE: 4092400 53.4445 -58.1014 105.957 -58.1013 1.77866 -17.061 105.957 -17.0612 -183.29 GPRESSURE: 4092400 211.196 -13.8322 40.3706 -78.2419 -95.6495 -40.2337 -3.31342 -19.5235 -172.695 PRESSAVG: 4092400 55.3978 -13.3418 17.3239 -13.3419 -79.5516 9.06546 17.3239 9.06544 -31.7422 GPRESSAVG: 4092400 54.6532 -12.5648 15.0119 -13.1096 -79.2563 6.26554 19.1882 10.0281 -31.1253 TIMING: 4092400 CPU: 12783.2, 0.00321198/step Wall: 12783.2, 0.00321198/step, 0.809777 hours remaining, 233.546875 MB of memory in use. ENERGY: 4092400 3995.2197 20666.0289 14467.4125 238.7003 -203086.3351 2481.5264 0.0000 0.0000 52311.9275 -108925.5197 300.6374 -161237.4473 -108569.7486 299.6349 -42.6889 -19.0495 762641.2098 -18.6320 -18.5761 PRESSURE: 4092600 157.523 -54.7316 -168.167 -54.7317 161.743 -48.7157 -168.167 -48.7154 122.585 GPRESSURE: 4092600 111.101 -9.87292 -138.802 -16.8258 190.373 31.5275 -149.889 -71.655 224.519 PRESSAVG: 4092600 18.4765 -36.3838 -28.7332 -36.3838 -32.7317 7.33574 -28.7332 7.33578 28.9653 GPRESSAVG: 4092600 20.1841 -38.3117 -27.2172 -35.2435 -33.2543 7.53702 -31.3151 9.11922 27.3488 TIMING: 4092600 CPU: 12783.8, 0.00313537/step Wall: 12783.8, 0.00313537/step, 0.790286 hours remaining, 233.808594 MB of memory in use. ENERGY: 4092600 3938.2989 20638.3996 14371.6882 251.6262 -202828.5927 2449.7719 0.0000 0.0000 52328.1046 -108850.7033 300.7303 -161178.8080 -108478.8994 300.1728 147.2836 175.3312 763100.7428 4.9034 4.7595 PRESSURE: 4092800 327.079 -97.3579 223.512 -97.3581 -290.839 114.221 223.512 114.223 -216.599 GPRESSURE: 4092800 188.934 -99.5886 261.115 -238.827 -150.44 62.2549 155.444 107.395 -147.179 PRESSAVG: 4092800 71.7173 -11.7002 16.3686 -11.7002 -33.1643 28.6947 16.3686 28.6947 7.42884 GPRESSAVG: 4092800 68.1579 -10.6087 18.4526 -14.2774 -31.1209 28.099 17.1789 27.8124 9.09585 TIMING: 4092800 CPU: 12784.4, 0.0031344/step Wall: 12784.4, 0.0031344/step, 0.789869 hours remaining, 233.808594 MB of memory in use. ENERGY: 4092800 3974.3419 20757.3259 14412.6572 226.7623 -202980.6401 2568.2875 0.0000 0.0000 52134.6162 -108906.6492 299.6184 -161041.2654 -108550.1455 300.1360 -60.1198 -36.2283 763122.8727 15.3273 15.3776 PRESSURE: 4093000 -35.9505 10.1969 132.897 10.1963 -554.55 70.7385 132.897 70.74 -179.75 GPRESSURE: 4093000 48.2084 73.593 153.359 96.1768 -528.83 140.319 152.023 116.425 -191.105 PRESSAVG: 4093000 13.7072 -8.35687 83.4923 -8.35685 -25.8387 51.3811 83.4924 51.3812 -15.8269 GPRESSAVG: 4093000 15.663 -9.80776 80.1294 -7.59494 -27.0711 52.1892 86.1212 53.0537 -16.378 TIMING: 4093000 CPU: 12785, 0.00310697/step Wall: 12785, 0.00310697/step, 0.782783 hours remaining, 233.808594 MB of memory in use. ENERGY: 4093000 4072.0100 20574.6854 14395.4979 230.0704 -203359.6463 2926.5797 0.0000 0.0000 51933.0808 -109227.7220 298.4601 -161160.8028 -108867.6374 299.6789 -256.7501 -223.9088 764726.8418 -9.3194 -9.2621 PRESSURE: 4093200 -121.491 94.5472 99.6496 94.5465 28.9399 -223.215 99.6495 -223.216 120.851 GPRESSURE: 4093200 -78.2193 87.9597 55.6755 101.878 144.394 -197.32 158.99 -199.489 48.7345 PRESSAVG: 4093200 43.3257 -12.9163 34.4713 -12.9162 -50.7567 19.5322 34.4712 19.532 -7.92861 GPRESSAVG: 4093200 42.8261 -11.7553 35.3925 -12.9777 -49.9676 18.7481 31.415 18.3274 -8.55886 TIMING: 4093200 CPU: 12785.6, 0.00310441/step Wall: 12785.6, 0.00310441/step, 0.781966 hours remaining, 233.808594 MB of memory in use. ENERGY: 4093200 4074.7311 20483.2568 14475.8487 257.4850 -203497.8852 2751.6050 0.0000 0.0000 52375.5805 -109079.3780 301.0032 -161454.9585 -108704.4681 299.6866 9.4332 38.3032 762019.0412 -5.1199 -5.2334 PRESSURE: 4093400 -26.8235 -12.9748 -79.9819 -12.9747 -89.2008 9.22234 -79.9822 9.22325 -282.341 GPRESSURE: 4093400 -123.329 -109.977 -121.337 -0.0856683 -10.9621 -45.3469 -8.47865 49.8933 -187.316 PRESSAVG: 4093400 39.4217 7.37393 -0.102118 7.37388 -11.4822 -51.8566 -0.102119 -51.8566 -17.166 GPRESSAVG: 4093400 40.9051 7.62509 -0.39088 6.62 -13.3334 -51.4404 -0.1641 -53.0528 -16.6582 TIMING: 4093400 CPU: 12786.3, 0.00311425/step Wall: 12786.3, 0.00311424/step, 0.784271 hours remaining, 233.808594 MB of memory in use. ENERGY: 4093400 4020.3423 20568.8191 14523.3187 280.8188 -203148.4878 2512.0679 0.0000 0.0000 51971.9468 -109271.1742 298.6835 -161243.1210 -108914.1654 299.6229 -132.7884 -107.2025 762335.7568 3.5911 3.6378 PRESSURE: 4093600 -320.889 185.693 153.653 185.693 -583.154 169.081 153.653 169.081 195.947 GPRESSURE: 4093600 -236.899 117.087 153.624 195.332 -545.173 98.3946 98.6068 153.462 144.873 PRESSAVG: 4093600 12.4649 23.7743 -7.24056 23.7742 -39.9122 28.5846 -7.24058 28.5846 -1.53534 GPRESSAVG: 4093600 11.3974 24.9305 -6.76378 25.4003 -38.856 28.2067 -6.09921 27.6962 -1.85074 TIMING: 4093600 CPU: 12786.9, 0.00313326/step Wall: 12786.9, 0.00313326/step, 0.788886 hours remaining, 233.875000 MB of memory in use. ENERGY: 4093600 3973.0640 20483.4369 14497.8733 255.5760 -202761.4502 2283.3396 0.0000 0.0000 52026.9738 -109241.1866 298.9997 -161268.1604 -108876.9512 299.3315 -236.0320 -212.3995 762666.4890 -9.6609 -9.7698 PRESSURE: 4093800 43.5054 244.485 85.1635 244.485 18.8666 -48.4302 85.1632 -48.4306 429.433 GPRESSURE: 4093800 44.3904 323.446 41.6706 180.944 53.1476 -82.632 125.076 67.541 482.915 PRESSAVG: 4093800 35.2445 6.14828 63.4973 6.14824 -30.2563 58.8282 63.4973 58.8282 8.62293 GPRESSAVG: 4093800 34.6321 2.60503 61.4846 7.98342 -30.342 58.2762 65.4494 59.8479 9.4246 TIMING: 4093800 CPU: 12787.5, 0.00311966/step Wall: 12787.5, 0.00311966/step, 0.785287 hours remaining, 233.875000 MB of memory in use. ENERGY: 4093800 3970.5637 20628.8063 14502.4507 237.9169 -203054.6515 2571.5933 0.0000 0.0000 51988.1161 -109155.2044 298.7764 -161143.3205 -108799.2367 299.3254 163.9350 193.4842 762063.5216 4.5370 4.5716 PRESSURE: 4094000 341.813 241.341 -59.0882 241.342 81.0187 -83.0505 -59.088 -83.0509 -99.1792 GPRESSURE: 4094000 270.783 157.856 -80.1448 260.329 168.194 -186.677 -35.7746 -58.169 -44.2062 PRESSAVG: 4094000 -4.44308 15.2564 35.6653 15.2565 -20.5508 -4.71949 35.6653 -4.71942 31.2545 GPRESSAVG: 4094000 -3.36131 16.2074 36.9383 13.0463 -21.3989 -4.80977 31.6032 -3.99548 30.9376 TIMING: 4094000 CPU: 12788.1, 0.00313944/step Wall: 12788.1, 0.00313944/step, 0.790092 hours remaining, 233.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4094000 4010.7057 20521.2529 14402.2941 276.5785 -203249.2990 2851.8018 0.0000 0.0000 51961.8283 -109224.8378 298.6253 -161186.6661 -108869.4738 298.9327 107.8841 131.5904 763054.0845 2.0869 2.0591 PRESSURE: 4094200 -274.713 -12.8379 147.006 -12.838 -308.107 280.884 147.005 280.885 -74.083 GPRESSURE: 4094200 -142.254 67.9324 182.192 43.4616 -289.635 312.012 56.2814 139.636 -119.007 PRESSAVG: 4094200 12.87 3.90829 9.52575 3.90823 -51.5068 72.2227 9.52584 72.2228 -19.1821 GPRESSAVG: 4094200 13.5478 3.05261 9.72466 1.93423 -50.5542 74.1017 10.8717 70.3689 -20.0437 TIMING: 4094200 CPU: 12788.8, 0.00311877/step Wall: 12788.8, 0.00311877/step, 0.784717 hours remaining, 233.875000 MB of memory in use. ENERGY: 4094200 4036.2393 20510.2618 14402.5581 243.8141 -203328.2707 2724.2903 0.0000 0.0000 52048.3128 -109362.7943 299.1224 -161411.1071 -108997.0035 299.7993 -218.9676 -183.6322 763686.9393 -19.2730 -19.0167 PRESSURE: 4094400 210.94 125.457 -50.1298 125.457 -10.0189 86.9713 -50.1296 86.9711 214.868 GPRESSURE: 4094400 277.855 38.8606 -92.0603 163.989 30.4315 84.5048 -127.792 18.9524 192.444 PRESSAVG: 4094400 -46.9868 -1.24891 24.0965 -1.24891 2.39201 5.62267 24.0964 5.62258 -14.6943 GPRESSAVG: 4094400 -47.446 -0.965669 24.3481 -0.580056 2.17111 4.48508 24.442 7.62282 -13.8906 TIMING: 4094400 CPU: 12789.4, 0.00311655/step Wall: 12789.4, 0.00311655/step, 0.783985 hours remaining, 233.875000 MB of memory in use. ENERGY: 4094400 3939.5812 20578.7494 14363.2631 247.2026 -203219.4967 2602.3366 0.0000 0.0000 52121.4165 -109366.9472 299.5425 -161488.3637 -109005.4144 298.9835 138.5963 166.9104 761247.3177 -19.7630 -19.7218 PRESSURE: 4094600 485.987 21.2452 26.815 21.2455 79.1126 -3.71654 26.8162 -3.71628 131.629 GPRESSURE: 4094600 551.351 -46.1887 82.4046 62.5713 64.0081 -16.1378 253.6 120.528 177.995 PRESSAVG: 4094600 15.2486 79.6436 -4.05386 79.6436 11.0477 -33.5173 -4.0538 -33.5174 9.59843 GPRESSAVG: 4094600 15.3908 80.9283 -3.59652 79.1816 10.9179 -32.7902 -4.60473 -33.7598 9.7873 TIMING: 4094600 CPU: 12790, 0.00312213/step Wall: 12790, 0.00312214/step, 0.785217 hours remaining, 233.875000 MB of memory in use. ENERGY: 4094600 4054.7054 20487.8333 14451.5129 268.0130 -204137.0327 3111.1890 0.0000 0.0000 52383.0416 -109380.7376 301.0461 -161763.7792 -109017.1214 299.6128 232.2429 264.4511 759400.5575 11.9649 12.0320 PRESSURE: 4094800 -226.163 46.6664 -29.3282 46.6674 -65.274 159.737 -29.3279 159.739 99.9319 GPRESSURE: 4094800 -160.829 68.3534 29.0211 173.048 -25.6044 242.148 42.5468 155.537 73.3584 PRESSAVG: 4094800 11.8438 -1.50552 -17.3402 -1.50545 -18.2643 -26.225 -17.3402 -26.2249 -7.67998 GPRESSAVG: 4094800 12.2652 -1.53702 -16.4241 -1.62096 -18.1301 -23.9985 -19.4553 -25.7321 -8.84906 TIMING: 4094800 CPU: 12790.6, 0.00311236/step Wall: 12790.6, 0.00311236/step, 0.782585 hours remaining, 233.875000 MB of memory in use. ENERGY: 4094800 4028.9863 20744.0752 14426.4733 242.2478 -203467.9898 2630.0633 0.0000 0.0000 52095.1098 -109301.0341 299.3913 -161396.1439 -108938.4732 299.4771 -63.8350 -37.6917 761679.9763 -4.7001 -4.9046 PRESSURE: 4095000 -205.796 -178.203 -345.788 -178.203 5.57791 57.7444 -345.789 57.7448 102.505 GPRESSURE: 4095000 -215.102 -68.8221 -394.552 -226.905 53.0579 -33.4898 -193.342 -8.72729 130.596 PRESSAVG: 4095000 40.6588 -21.3292 7.06292 -21.3292 -10.5048 21.6571 7.06295 21.6571 6.74162 GPRESSAVG: 4095000 40.1735 -22.0581 4.66713 -21.8924 -11.2564 20.5514 9.97941 19.754 8.59032 TIMING: 4095000 CPU: 12791.3, 0.00312422/step Wall: 12791.3, 0.00312422/step, 0.785393 hours remaining, 233.875000 MB of memory in use. ENERGY: 4095000 3991.4180 20501.7820 14447.8339 233.9771 -203344.9177 2792.7178 0.0000 0.0000 51992.3412 -109384.8478 298.8007 -161377.1890 -109017.1084 299.1342 -32.5709 -10.4829 762311.9033 12.2986 12.5025 PRESSURE: 4095200 14.4994 -310.531 94.9393 -310.531 -133.632 -221.185 94.9391 -221.185 49.4648 GPRESSURE: 4095200 16.874 -247.414 79.2833 -209.909 -103.77 -91.1937 80.3155 -222.336 102.965 PRESSAVG: 4095200 43.1296 2.43962 -13.646 2.43961 -88.6944 16.4453 -13.646 16.4453 2.77359 GPRESSAVG: 4095200 42.9677 2.87864 -13.6966 2.27339 -87.7837 16.3911 -13.7094 16.4228 1.62777 TIMING: 4095200 CPU: 12791.9, 0.00309647/step Wall: 12791.9, 0.00309647/step, 0.778247 hours remaining, 233.875000 MB of memory in use. ENERGY: 4095200 3869.9383 20456.2927 14414.1853 233.8634 -203286.8974 2559.6859 0.0000 0.0000 52128.3193 -109624.6124 299.5822 -161752.9317 -109252.7103 298.6172 -23.2225 5.3564 762837.3646 -14.2637 -14.3961 PRESSURE: 4095400 17.2355 116.269 64.9847 116.269 -295.676 -46.6664 64.9845 -46.667 354.223 GPRESSURE: 4095400 56.7569 131.417 23.0009 78.8127 -217.542 -68.34 81.1639 -50.6695 339.095 PRESSAVG: 4095400 33.6133 5.83977 21.5579 5.83976 -16.4359 -13.211 21.5579 -13.2109 -18.4025 GPRESSAVG: 4095400 33.1947 4.1929 21.2505 8.94023 -15.8835 -16.6913 22.163 -11.8204 -18.9329 TIMING: 4095400 CPU: 12792.5, 0.00310647/step Wall: 12792.5, 0.00310647/step, 0.780586 hours remaining, 233.875000 MB of memory in use. ENERGY: 4095400 3971.8055 20540.5584 14438.0592 229.3193 -203300.2831 2531.3040 0.0000 0.0000 52066.7071 -109522.5297 299.2281 -161589.2368 -109159.1417 298.8009 25.2608 59.4365 760102.2571 -0.4084 -0.5406 PRESSURE: 4095600 -27.0244 85.2894 -57.1872 85.2884 184.687 -93.5854 -57.1875 -93.5849 -517.695 GPRESSURE: 4095600 18.4719 12.1611 -22.9016 89.5312 135.008 -34.0265 -31.6954 -121.41 -400.505 PRESSAVG: 4095600 33.9579 10.2406 67.7717 10.2407 -27.5404 -5.1924 67.7717 -5.19245 14.774 GPRESSAVG: 4095600 33.1654 11.7329 69.2612 7.40034 -26.3293 -2.80862 66.2367 -6.40967 14.4174 TIMING: 4095600 CPU: 12793.1, 0.00311881/step Wall: 12793.1, 0.00311881/step, 0.783516 hours remaining, 233.875000 MB of memory in use. ENERGY: 4095600 3971.3469 20510.5815 14405.9980 264.5274 -203363.1948 2723.3443 0.0000 0.0000 52004.9308 -109482.4660 298.8731 -161487.3968 -109124.1795 299.0304 -120.0109 -82.3418 761948.9651 7.0638 7.0845 PRESSURE: 4095800 -20.1337 -71.4957 -185.335 -71.4959 312.771 56.6352 -185.335 56.6342 110.051 GPRESSURE: 4095800 84.6296 -28.9254 -174.616 -58.0987 271.807 130.055 -179.699 26.7 116.541 PRESSAVG: 4095800 -5.68321 3.55357 -28.9969 3.55361 -30.7043 30.6461 -28.9969 30.646 12.9482 GPRESSAVG: 4095800 -6.0384 4.39572 -29.6205 4.04302 -30.958 32.0045 -29.7311 30.2739 13.9753 TIMING: 4095800 CPU: 12793.8, 0.00311921/step Wall: 12793.8, 0.00311921/step, 0.783443 hours remaining, 233.875000 MB of memory in use. ENERGY: 4095800 3973.7498 20628.1206 14431.4791 235.3439 -203698.0124 2892.9046 0.0000 0.0000 51852.3957 -109684.0186 297.9964 -161536.4143 -109330.8160 298.6100 134.2293 157.6594 761204.4439 -7.8131 -7.6737 PRESSURE: 4096000 397.686 161.536 87.1893 161.536 191.258 -111.855 87.1899 -111.854 124.902 GPRESSURE: 4096000 445.466 201.673 123.062 93.9591 263.494 -125.09 1.06586 -139.136 84.5889 PRESSAVG: 4096000 28.2637 3.91003 -9.82459 3.90999 19.7571 2.90296 -9.82455 2.90297 -35.6086 GPRESSAVG: 4096000 31.1507 3.53547 -10.7723 4.6975 17.3191 2.40094 -9.08901 3.93139 -35.9399 TIMING: 4096000 CPU: 12794.4, 0.00309992/step Wall: 12794.4, 0.00309992/step, 0.778425 hours remaining, 233.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4096000 3961.7584 20401.9101 14496.0920 248.7138 -202972.7750 2403.2624 0.0000 0.0000 51871.9524 -109589.0860 298.1088 -161461.0384 -109229.5315 298.5487 237.9488 264.5163 760367.1143 4.1374 4.1766 PRESSURE: 4096200 -53.0427 -55.9475 -249.864 -55.9483 -334.509 279.256 -249.864 279.256 -332.939 GPRESSURE: 4096200 -112.884 -78.6939 -206.116 -182.108 -281.428 352.337 -261.407 299.41 -250.688 PRESSAVG: 4096200 107.694 -45.6992 -81.5671 -45.6992 -41.4153 61.3853 -81.5671 61.3854 12.8764 GPRESSAVG: 4096200 106.396 -44.9005 -80.7663 -46.7529 -40.6688 60.8742 -82.2111 58.8817 13.5738 TIMING: 4096200 CPU: 12795, 0.00309855/step Wall: 12795, 0.00309855/step, 0.777908 hours remaining, 233.875000 MB of memory in use. ENERGY: 4096200 4013.8996 20415.6106 14457.3586 233.5313 -203069.3497 2338.8020 0.0000 0.0000 51726.3262 -109883.8214 297.2719 -161610.1477 -109528.6720 298.0183 -240.1636 -215.0002 760741.0005 26.3852 26.4336 LDB: ============= START OF LOAD BALANCING ============== 12807.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12807.5 LDB: =============== DONE WITH MIGRATION ================ 12807.5 LDB: ============= START OF LOAD BALANCING ============== 12807.8 LDB: Largest compute 7020 load 0.029498 is 15.1% of average load 0.195147 LDB: Average compute 0.004406 is 2.3% of average load 0.195147 LDB: TIME 12807.8 LOAD: AVG 0.195147 MAX 0.216353 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.672 MB LDB: TIME 12807.8 LOAD: AVG 0.195147 MAX 0.216353 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.672 MB LDB: TIME 12807.8 LOAD: AVG 0.195147 MAX 0.216353 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.672 MB LDB: ============== END OF LOAD BALANCING =============== 12807.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12807.8 PRESSURE: 4096400 -418.249 -145.898 -27.4932 -145.897 -256.51 -133.419 -27.4934 -133.42 -409.231 GPRESSURE: 4096400 -386.076 -96.0476 30.653 -179.63 -217.325 -207.854 -76.1643 -107.181 -375.086 PRESSAVG: 4096400 30.7441 -23.2677 1.03921 -23.2677 -9.11261 23.6737 1.03919 23.6737 3.69634 GPRESSAVG: 4096400 30.3503 -23.3478 1.94068 -22.9633 -9.04795 25.1524 1.28651 25.8521 3.53278 TIMING: 4096400 CPU: 12795.6, 0.00317152/step Wall: 12795.6, 0.00317152/step, 0.796051 hours remaining, 234.316406 MB of memory in use. ENERGY: 4096400 4017.5728 20438.4632 14359.1183 240.8641 -203206.8593 2264.2800 0.0000 0.0000 52117.2323 -109769.3286 299.5185 -161886.5609 -109402.1095 297.7361 -361.3299 -326.1625 760982.0057 8.4426 8.2784 PRESSURE: 4096600 289.375 25.545 -64.0838 25.5445 -354.056 1.94307 -64.0838 1.94353 -80.8936 GPRESSURE: 4096600 179.06 -45.3974 -85.2321 94.8933 -135.725 -39.7693 -129.92 26.6606 -92.2082 PRESSAVG: 4096600 25.3887 -14.7346 -37.3694 -14.7345 -54.2656 30.6996 -37.3694 30.6997 -12.4042 GPRESSAVG: 4096600 26.3083 -15.1299 -37.5776 -15.0049 -56.0528 29.0105 -37.017 28.2147 -12.2324 TIMING: 4096600 CPU: 12796.3, 0.00310442/step Wall: 12796.3, 0.00310442/step, 0.779037 hours remaining, 234.507812 MB of memory in use. ENERGY: 4096600 3933.8230 20476.9644 14425.2664 241.1357 -203303.7217 2543.3192 0.0000 0.0000 51969.1528 -109714.0603 298.6674 -161683.2130 -109347.0652 298.0643 -48.5246 -16.2913 761081.4325 -13.7604 -13.9923 PRESSURE: 4096800 1.06378 -160.968 -230.586 -160.968 254.808 -133.959 -230.586 -133.958 -197.138 GPRESSURE: 4096800 101.6 -193.104 -230.413 -208.575 294.803 -92.9904 -149.499 -29.4627 -239.782 PRESSAVG: 4096800 6.40244 -5.83262 -22.7377 -5.83263 -11.0577 12.8399 -22.7377 12.8399 3.50173 GPRESSAVG: 4096800 6.9065 -5.30066 -21.8109 -5.24573 -11.387 14.4396 -23.0929 16.5099 3.67086 TIMING: 4096800 CPU: 12796.9, 0.00311131/step Wall: 12796.9, 0.00311131/step, 0.780594 hours remaining, 234.507812 MB of memory in use. ENERGY: 4096800 3988.5363 20526.6423 14436.6931 245.2506 -203320.3632 2705.8733 0.0000 0.0000 51904.0614 -109513.3061 298.2934 -161417.3675 -109156.4644 298.4373 19.5781 52.2071 761762.1530 -0.3845 -0.2699 PRESSURE: 4097000 390.411 -23.6382 -10.5113 -23.6384 154.11 3.582 -10.5117 3.58235 324.261 GPRESSURE: 4097000 443.632 -16.5451 16.6639 40.3693 181.393 69.4748 -82.1728 8.11614 328.585 PRESSAVG: 4097000 15.9096 -14.2934 6.82493 -14.2934 12.104 40.1904 6.82501 40.1903 9.88869 GPRESSAVG: 4097000 14.3154 -14.7345 6.63458 -13.6043 14.4437 39.429 6.959 39.6535 8.7135 TIMING: 4097000 CPU: 12797.5, 0.00312441/step Wall: 12797.5, 0.00312441/step, 0.783707 hours remaining, 234.710938 MB of memory in use. ENERGY: 4097000 3958.0601 20524.5616 14424.3391 245.4358 -203417.5542 2749.6374 0.0000 0.0000 51906.9999 -109608.5202 298.3102 -161515.5201 -109261.2661 298.6143 289.5939 317.8699 760386.5697 12.6341 12.4909 PRESSURE: 4097200 -223.213 -48.8979 -189.775 -48.899 301.361 12.0067 -189.775 12.0064 34.1474 GPRESSURE: 4097200 -75.4443 -64.7903 -122.679 94.9994 187.497 -22.5576 -202.931 -47.5106 85.2182 PRESSAVG: 4097200 7.8017 -3.1233 -26.367 -3.1233 -40.0382 13.3348 -26.367 13.3348 -21.5264 GPRESSAVG: 4097200 9.23428 -4.46937 -27.8928 -1.76909 -41.4888 12.9653 -26.766 12.1398 -21.3467 TIMING: 4097200 CPU: 12798.1, 0.00312452/step Wall: 12798.1, 0.00312452/step, 0.78356 hours remaining, 234.710938 MB of memory in use. ENERGY: 4097200 3952.3357 20624.8090 14471.8198 236.0857 -203795.2770 3040.8479 0.0000 0.0000 52028.5690 -109440.8099 299.0089 -161469.3789 -109078.4006 299.1139 37.4318 65.7571 760138.8685 -17.9210 -17.8671 PRESSURE: 4097400 -215.768 -64.8139 -118.296 -64.8147 -215.225 219.374 -118.296 219.373 -286.043 GPRESSURE: 4097400 -249.174 -105.674 -186.864 -214.053 -127.146 241.093 -72.0251 162.795 -244.957 PRESSAVG: 4097400 -64.3572 -24.0224 -66.1411 -24.0224 76.2205 33.5904 -66.1411 33.5904 2.91376 GPRESSAVG: 4097400 -66.0939 -22.2182 -65.9375 -26.7626 77.6318 33.9415 -65.5685 34.0039 3.83852 TIMING: 4097400 CPU: 12798.7, 0.00313082/step Wall: 12798.7, 0.00313082/step, 0.784966 hours remaining, 234.710938 MB of memory in use. ENERGY: 4097400 3932.8645 20542.7922 14500.9835 264.5156 -203195.2859 2414.8847 0.0000 0.0000 52020.5962 -109518.6492 298.9631 -161539.2454 -109147.3159 299.3877 -239.0121 -207.0922 760776.9535 4.9257 5.1255 PRESSURE: 4097600 252.111 -69.1567 -96.2703 -69.1559 -50.6095 -210.123 -96.2702 -210.123 87.5907 GPRESSURE: 4097600 251.778 -73.3066 -127.794 -68.0529 -43.041 -168.654 -117.371 -159.084 164.37 PRESSAVG: 4097600 13.8174 -11.4464 -18.9742 -11.4465 -13.5205 0.668901 -18.9742 0.668904 -10.0248 GPRESSAVG: 4097600 13.7842 -10.3941 -18.1731 -11.3892 -14.1057 1.57262 -19.0595 1.0226 -10.1372 TIMING: 4097600 CPU: 12799.4, 0.00312984/step Wall: 12799.4, 0.00312984/step, 0.784546 hours remaining, 234.710938 MB of memory in use. ENERGY: 4097600 3930.1348 20566.5955 14515.2505 258.1155 -203036.1717 2393.1172 0.0000 0.0000 52065.6384 -109307.3198 299.2219 -161372.9583 -108946.9610 299.3562 96.3641 124.3688 761338.8630 -3.2426 -3.4862 PRESSURE: 4097800 -127.193 -121.542 152.844 -121.542 -223.121 -45.4395 152.844 -45.4406 652.969 GPRESSURE: 4097800 -43.9384 -141.727 120.173 -61.2133 -241.42 -52.4596 160.756 -72.7626 659.656 PRESSAVG: 4097800 -35.5004 24.8902 -28.9335 24.8902 21.0101 9.19676 -28.9335 9.19688 14.4814 GPRESSAVG: 4097800 -34.3024 22.673 -29.7452 26.8136 21.1343 9.46636 -31.4346 8.25705 13.5448 TIMING: 4097800 CPU: 12800, 0.00312245/step Wall: 12800, 0.00312245/step, 0.78252 hours remaining, 234.710938 MB of memory in use. ENERGY: 4097800 3982.9238 20495.4004 14413.0312 262.7917 -203061.4661 2603.1261 0.0000 0.0000 52193.1732 -109111.0198 299.9549 -161304.1930 -108749.3038 299.7095 100.8851 124.7658 761508.1118 -0.0030 0.1256 PRESSURE: 4098000 -451.468 109.294 -13.4034 109.295 -6.07246 220.719 -13.4046 220.719 -44.9776 GPRESSURE: 4098000 -349.973 216.749 -2.14988 52.787 -3.62308 236.216 40.4183 165.834 -77.1159 PRESSAVG: 4098000 -41.2413 28.5549 -64.4606 28.5548 34.772 17.016 -64.4606 17.016 16.6706 GPRESSAVG: 4098000 -40.6281 28.795 -63.9405 26.6597 33.9135 14.5481 -62.8669 17.6148 16.8091 TIMING: 4098000 CPU: 12800.6, 0.00313032/step Wall: 12800.6, 0.00313032/step, 0.78432 hours remaining, 234.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4098000 3992.3393 20568.5859 14508.8007 256.6529 -202438.3354 2026.4893 0.0000 0.0000 52060.8342 -109024.6330 299.1943 -161085.4673 -108673.9631 299.6067 -167.5062 -143.5706 761271.9292 3.4004 3.3648 PRESSURE: 4098200 -609.209 140.232 -305.301 140.232 -248.034 -44.2251 -305.302 -44.2261 -247.754 GPRESSURE: 4098200 -549.55 84.7842 -330.938 64.8508 -265.557 17.5271 -196.497 -81.9127 -188.755 PRESSAVG: 4098200 4.88778 31.4938 -27.9962 31.4938 6.40931 29.5603 -27.9962 29.5602 20.0022 GPRESSAVG: 4098200 4.35683 33.1784 -29.3782 31.657 7.81713 30.7641 -27.5912 31.5604 19.2068 TIMING: 4098200 CPU: 12801.3, 0.00313486/step Wall: 12801.3, 0.00313486/step, 0.785283 hours remaining, 234.710938 MB of memory in use. ENERGY: 4098200 4050.4585 20592.0056 14487.2424 264.1975 -202868.1546 2264.4310 0.0000 0.0000 52237.1780 -108972.6416 300.2078 -161209.8196 -108615.9016 299.8881 -368.3326 -334.6208 762023.0708 10.4331 10.4603 PRESSURE: 4098400 102.515 43.2383 -261.218 43.239 34.3985 -92.8784 -261.216 -92.8778 274.59 GPRESSURE: 4098400 94.5828 21.806 -253.521 54.1651 148.035 -151.782 -258.369 -168.607 263.033 PRESSAVG: 4098400 -69.8272 -28.3233 -94.7527 -28.3233 47.0472 0.0631386 -94.7527 0.0631106 5.73956 GPRESSAVG: 4098400 -70.62 -28.6911 -93.8804 -25.753 47.8755 -0.22254 -94.0216 -0.918191 5.94935 TIMING: 4098400 CPU: 12801.9, 0.00313964/step Wall: 12801.9, 0.00313964/step, 0.786306 hours remaining, 234.710938 MB of memory in use. ENERGY: 4098400 4028.8146 20447.4946 14473.2448 239.1927 -203358.1693 2944.5393 0.0000 0.0000 52251.4514 -108973.4320 300.2898 -161224.8834 -108612.5161 300.3057 137.1677 168.5501 759774.9469 -5.6801 -5.5984 PRESSURE: 4098600 161.492 -108.186 -162.627 -108.185 -229.301 -4.65098 -162.627 -4.65036 -184.836 GPRESSURE: 4098600 193.26 -138.022 -284.235 -128.186 -225.291 -25.6611 -223.927 -3.32697 -151.282 PRESSAVG: 4098600 39.9265 -21.9046 -70.2384 -21.9045 -15.0253 15.3964 -70.2384 15.3964 -13.0396 GPRESSAVG: 4098600 39.2153 -23.5587 -71.9605 -24.1859 -15.5439 14.7756 -70.7645 15.4691 -11.5553 TIMING: 4098600 CPU: 12802.5, 0.00314017/step Wall: 12802.5, 0.00314017/step, 0.786264 hours remaining, 234.710938 MB of memory in use. ENERGY: 4098600 3966.3686 20694.1086 14432.8718 228.9209 -202977.4759 2434.0948 0.0000 0.0000 52048.9836 -109172.1277 299.1262 -161221.1113 -108815.7022 299.6335 -84.2150 -61.1043 762549.3938 3.9539 4.0387 PRESSURE: 4098800 -264.662 -118.725 -92.1962 -118.724 -30.7139 209.395 -92.1962 209.394 -303.082 GPRESSURE: 4098800 -184.716 -116.897 -21.7131 -84.1413 -0.159046 99.2739 39.4769 250.913 -354.97 PRESSAVG: 4098800 92.315 -4.72085 -9.93479 -4.72086 -48.9791 35.9595 -9.93466 35.9595 16.6722 GPRESSAVG: 4098800 93.8168 -4.27731 -8.74602 -3.76809 -49.6688 37.9019 -11.5152 34.28 15.4893 TIMING: 4098800 CPU: 12803.1, 0.00312608/step Wall: 12803.1, 0.00312608/step, 0.782561 hours remaining, 234.710938 MB of memory in use. ENERGY: 4098800 3941.3134 20529.8185 14447.8862 234.6172 -202634.9450 2207.1990 0.0000 0.0000 52236.7494 -109037.3615 300.2053 -161274.1108 -108669.1600 299.5179 -199.4859 -179.9483 762045.8213 20.0027 19.8791 PRESSURE: 4099000 109.773 -54.6199 -24.9915 -54.6196 170.41 -94.8163 -24.9911 -94.8146 333.938 GPRESSURE: 4099000 71.2934 -83.826 -3.22898 -2.03291 245.143 -158.726 -44.4492 8.65382 393.782 PRESSAVG: 4099000 2.91033 43.2435 -54.0826 43.2435 37.5283 25.5649 -54.0826 25.565 -12.6317 GPRESSAVG: 4099000 2.01149 45.1786 -54.7807 41.755 38.0603 24.672 -52.7607 26.1966 -12.193 TIMING: 4099000 CPU: 12803.8, 0.00313014/step Wall: 12803.8, 0.00313014/step, 0.783404 hours remaining, 234.710938 MB of memory in use. ENERGY: 4099000 3924.9163 20357.5777 14464.2929 276.5017 -202971.8357 2583.2694 0.0000 0.0000 52482.9515 -108882.3262 301.6202 -161365.2777 -108512.0809 299.8413 204.7070 236.7396 761986.9910 9.2690 9.2929 PRESSURE: 4099200 -115.723 -14.9356 -55.2014 -14.9359 139.198 345.934 -55.2021 345.933 148.016 GPRESSURE: 4099200 -47.6874 -48.6552 -24.3884 -37.1532 59.0696 218.92 -39.0474 205.399 242.504 PRESSAVG: 4099200 -6.06325 14.061 -39.8604 14.0611 8.01862 7.99118 -39.8604 7.99119 -14.3409 GPRESSAVG: 4099200 -4.56383 13.1628 -39.3591 14.6513 7.27998 6.58967 -41.1846 9.58691 -14.2197 TIMING: 4099200 CPU: 12804.4, 0.00312878/step Wall: 12804.4, 0.00312878/step, 0.782889 hours remaining, 234.710938 MB of memory in use. ENERGY: 4099200 3974.5844 20528.6795 14401.6032 249.5719 -203294.0765 3007.3401 0.0000 0.0000 52276.4698 -108855.8277 300.4336 -161132.2975 -108493.5689 300.2943 57.1637 84.6287 762516.7683 -4.1285 -3.8345 PRESSURE: 4099400 96.1314 3.39147 -297.175 3.39188 0.975287 -47.6856 -297.175 -47.6858 -117.068 GPRESSURE: 4099400 137.025 -38.4907 -320.536 -7.87092 14.5413 -39.3641 -263.961 -68.9224 -78.8695 PRESSAVG: 4099400 -32.3989 -21.9744 -22.7932 -21.9744 44.4292 2.98744 -22.7932 2.98743 6.83493 GPRESSAVG: 4099400 -32.6561 -22.5863 -23.6997 -19.8151 45.0587 5.75525 -21.7827 -1.10673 6.20427 TIMING: 4099400 CPU: 12805, 0.00312904/step Wall: 12805, 0.00312904/step, 0.782781 hours remaining, 234.710938 MB of memory in use. ENERGY: 4099400 3905.6774 20559.4147 14430.6241 261.3187 -203088.6027 2844.1275 0.0000 0.0000 52114.3412 -108973.0990 299.5018 -161087.4402 -108610.5135 299.7134 -6.6538 24.2324 762637.0671 6.2884 6.2023 PRESSURE: 4099600 112.498 -21.1229 106.804 -21.1225 231.973 -209.475 106.803 -209.475 44.0004 GPRESSURE: 4099600 263.774 70.0704 195.602 -103.488 124.37 -288.044 100.191 -391.494 72.3062 PRESSAVG: 4099600 37.9072 -37.6146 3.81702 -37.6146 2.2298 17.7791 3.81704 17.7791 -5.15115 GPRESSAVG: 4099600 38.8642 -38.4491 3.47001 -39.28 2.6301 16.552 5.20146 19.9066 -6.26984 TIMING: 4099600 CPU: 12805.6, 0.00311368/step Wall: 12805.6, 0.00311368/step, 0.778765 hours remaining, 234.710938 MB of memory in use. ENERGY: 4099600 3989.7932 20435.1558 14486.5342 250.0049 -203332.4283 2871.7808 0.0000 0.0000 52253.0253 -109046.1340 300.2989 -161299.1593 -108681.7261 299.7021 129.4905 153.4833 761203.8385 11.6620 11.7415 PRESSURE: 4099800 39.5786 -286.803 -17.6374 -286.802 70.3279 -23.0623 -17.6389 -23.0614 -4.29927 GPRESSURE: 4099800 33.1823 -349.684 -141.671 -245.63 105.685 42.3755 95.4938 -76.1761 31.4702 PRESSAVG: 4099800 33.8636 -55.6275 34.8421 -55.6275 -29.684 -10.0491 34.8421 -10.0491 -20.7424 GPRESSAVG: 4099800 31.9659 -53.5845 35.1062 -58.0877 -28.9802 -10.6664 32.2115 -10.0368 -19.4941 TIMING: 4099800 CPU: 12806.3, 0.00310948/step Wall: 12806.3, 0.00310948/step, 0.777542 hours remaining, 234.710938 MB of memory in use. ENERGY: 4099800 3962.3303 20531.2222 14490.7115 240.0834 -203422.0168 2920.6242 0.0000 0.0000 52239.8059 -109037.2393 300.2229 -161277.0452 -108675.6950 299.4820 35.2024 56.7793 763464.2187 -5.5209 -5.5028 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 4100000 WRITING COORDINATES TO RESTART FILE AT STEP 4100000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4100000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4100000 21.616 0.396243 -154.597 0.395449 379.225 38.3535 -154.598 38.3533 125.721 GPRESSURE: 4100000 38.0362 110.546 -126.366 -20.5855 498.443 15.5963 -124.263 -60.0992 71.0088 PRESSAVG: 4100000 1.17144 -65.3025 -22.8393 -65.3026 -17.5506 -15.9934 -22.8393 -15.9934 22.7864 GPRESSAVG: 4100000 2.51479 -65.6625 -22.7562 -63.8023 -18.3547 -15.4156 -21.1709 -18.0911 22.0824 TIMING: 4100000 CPU: 12806.9, 0.00324041/step Wall: 12806.9, 0.00324041/step, 0.810103 hours remaining, 234.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4100000 3964.9920 20552.2718 14463.5902 243.7772 -203220.6355 2555.4496 0.0000 0.0000 52151.2678 -109289.2868 299.7141 -161440.5546 -108929.5657 299.4129 175.5207 202.4960 762089.8137 2.1358 2.0808 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4100000 PRESSURE: 4100200 190.767 -112.542 -96.8692 -112.542 331.097 -29.8899 -96.8691 -29.8904 81.6031 GPRESSURE: 4100200 189.142 -32.0816 -88.6271 -32.4963 343.508 -5.66212 -162.815 24.9074 146.755 PRESSAVG: 4100200 3.21954 -6.22967 11.8188 -6.22967 30.337 2.67614 11.8188 2.67609 -7.05698 GPRESSAVG: 4100200 1.65486 -7.60676 13.3117 -4.67524 30.1771 2.9828 10.7154 6.21684 -5.38517 TIMING: 4100200 CPU: 12807.5, 0.00315397/step Wall: 12807.5, 0.00315397/step, 0.788316 hours remaining, 234.710938 MB of memory in use. ENERGY: 4100200 4018.3853 20450.9301 14469.2556 263.3433 -203434.3052 2792.6968 0.0000 0.0000 52111.2344 -109328.4597 299.4840 -161439.6941 -108959.9437 299.1714 201.1556 226.4684 759783.8630 8.8332 8.8156 LDB: ============= START OF LOAD BALANCING ============== 12820 LDB: ============== END OF LOAD BALANCING =============== 12820 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12820 LDB: ============= START OF LOAD BALANCING ============== 12820.3 LDB: Largest compute 6998 load 0.027835 is 14.2% of average load 0.195346 LDB: Average compute 0.004396 is 2.3% of average load 0.195346 LDB: TIME 12820.3 LOAD: AVG 0.195346 MAX 0.215473 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.035 MB LDB: TIME 12820.3 LOAD: AVG 0.195346 MAX 0.215473 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.039 MB LDB: TIME 12820.3 LOAD: AVG 0.195346 MAX 0.215473 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.039 MB LDB: ============== END OF LOAD BALANCING =============== 12820.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12820.3 PRESSURE: 4100400 -366.606 161.788 46.2226 161.788 43.1369 -142.924 46.2224 -142.924 -77.4985 GPRESSURE: 4100400 -260.872 95.053 12.1982 126.342 58.1978 -152.729 -1.20302 -107.955 -113.097 PRESSAVG: 4100400 12.3201 -26.344 7.61492 -26.3441 -4.91503 14.9721 7.61489 14.9722 -4.1714 GPRESSAVG: 4100400 13.5537 -25.2366 6.38932 -27.4124 -5.53784 14.4101 8.19826 15.5497 -5.3237 TIMING: 4100400 CPU: 12808.2, 0.00323122/step Wall: 12808.2, 0.00323122/step, 0.807447 hours remaining, 234.058594 MB of memory in use. ENERGY: 4100400 4004.0630 20423.7185 14472.0119 260.9757 -202757.2500 2291.8154 0.0000 0.0000 51964.1275 -109340.5379 298.6386 -161304.6654 -108964.0661 299.1324 -133.6557 -105.2572 762243.2751 1.0779 0.8974 PRESSURE: 4100600 138.344 -152.202 83.4831 -152.202 -154.156 155.351 83.4828 155.351 18.7588 GPRESSURE: 4100600 160.058 -155.427 72.6737 -158.114 -58.1411 81.3854 24.3243 143.806 -10.3311 PRESSAVG: 4100600 -1.68975 -55.13 -19.6478 -55.13 -20.6791 -7.86043 -19.6478 -7.86048 24.2771 GPRESSAVG: 4100600 -1.89828 -56.5555 -20.3745 -53.7676 -21.0231 -8.06387 -21.6119 -7.66475 24.342 TIMING: 4100600 CPU: 12808.8, 0.00313472/step Wall: 12808.8, 0.00313472/step, 0.783157 hours remaining, 234.058594 MB of memory in use. ENERGY: 4100600 3972.6021 20536.0015 14428.4959 236.6594 -203158.5752 2517.9326 0.0000 0.0000 52136.9976 -109329.8861 299.6320 -161466.8837 -108974.7317 299.3923 0.9824 30.5286 760735.5347 0.6361 0.4735 PRESSURE: 4100800 -180.535 -143.222 -258.45 -143.221 -16.9805 -21.1591 -258.45 -21.1591 -57.4953 GPRESSURE: 4100800 -11.1384 -121.132 -253.562 -138.009 -83.3452 -1.96908 -181.913 -112.615 -84.5952 PRESSAVG: 4100800 107.148 -8.39285 13.6753 -8.39286 -34.8945 18.2573 13.6752 18.2573 8.11587 GPRESSAVG: 4100800 107.392 -7.37668 13.7065 -7.41072 -35.4126 19.3658 14.8908 16.5872 7.70499 TIMING: 4100800 CPU: 12809.4, 0.00313186/step Wall: 12809.4, 0.00313186/step, 0.782269 hours remaining, 234.058594 MB of memory in use. ENERGY: 4100800 3893.9969 20451.3037 14547.4883 229.7253 -203401.4796 2758.9634 0.0000 0.0000 52124.9520 -109395.0500 299.5628 -161520.0020 -109023.5292 298.9056 -85.0036 -59.6929 760362.8961 26.7897 26.5616 PRESSURE: 4101000 79.2642 36.3409 -236.087 36.3421 127.515 -253.244 -236.087 -253.244 -115.655 GPRESSURE: 4101000 31.5108 -55.052 -196.169 48.1963 205.924 -276.92 -171.302 -296.653 -74.2285 PRESSAVG: 4101000 39.5869 10.3869 -51.2937 10.3869 -0.348109 26.3348 -51.2937 26.3347 -6.62837 GPRESSAVG: 4101000 37.5312 10.8661 -51.0603 8.60227 0.300714 24.9473 -50.7327 26.3242 -5.00961 TIMING: 4101000 CPU: 12810.1, 0.00312859/step Wall: 12810.1, 0.00312859/step, 0.781279 hours remaining, 234.058594 MB of memory in use. ENERGY: 4101000 3935.3048 20584.4822 14509.8218 232.3559 -203523.6267 2890.2372 0.0000 0.0000 52085.0522 -109286.3725 299.3335 -161371.4247 -108916.7089 299.1030 30.3745 54.4020 760902.4205 10.8701 10.9408 PRESSURE: 4101200 90.5105 -68.4801 157.283 -68.4799 -19.8527 136.132 157.283 136.134 21.5839 GPRESSURE: 4101200 110.332 4.89267 62.3254 -132.818 141.916 209.195 164.822 -6.031 -54.1536 PRESSAVG: 4101200 54.7167 -54.6226 -10.2779 -54.6226 3.32596 -15.7249 -10.278 -15.7248 -11.9188 GPRESSAVG: 4101200 54.6774 -53.8362 -9.26439 -53.6897 5.16503 -15.5578 -12.481 -14.8889 -13.5198 TIMING: 4101200 CPU: 12810.7, 0.00311477/step Wall: 12810.7, 0.00311477/step, 0.777655 hours remaining, 234.261719 MB of memory in use. ENERGY: 4101200 3938.7422 20561.1165 14499.9608 243.5947 -203503.2251 2804.0273 0.0000 0.0000 52078.3843 -109377.3993 299.2952 -161455.7836 -109014.4130 299.0460 30.7472 66.0315 763449.7355 15.3746 15.4409 PRESSURE: 4101400 -145.263 -104.94 -172.646 -104.94 -59.5403 -109.874 -172.646 -109.874 63.7672 GPRESSURE: 4101400 12.5138 -113.432 -158.365 -123.324 -3.56448 -128.823 -129.38 -0.0678606 -55.8163 PRESSAVG: 4101400 3.61929 -76.1491 8.31507 -76.1491 15.5743 -32.7433 8.31502 -32.7433 -23.2076 GPRESSAVG: 4101400 4.42405 -76.3842 7.03753 -78.6248 13.9326 -32.4533 11.4923 -33.8507 -22.3492 TIMING: 4101400 CPU: 12811.3, 0.00313761/step Wall: 12811.3, 0.00313761/step, 0.783183 hours remaining, 234.460938 MB of memory in use. ENERGY: 4101400 3977.7265 20215.7255 14462.2650 258.5825 -203163.6162 2659.9582 0.0000 0.0000 52116.9684 -109472.3899 299.5169 -161589.3583 -109110.4416 298.8826 -47.0119 -15.6223 762264.0614 -1.3380 -1.3308 PRESSURE: 4101600 -125.691 -323.669 -153.416 -323.669 235.343 197.919 -153.416 197.918 131.619 GPRESSURE: 4101600 35.2991 -175.678 -190.545 -222.414 234.151 138.474 -88.0531 34.2734 55.8971 PRESSAVG: 4101600 -10.6386 -40.561 -44.9124 -40.561 4.83116 24.5322 -44.9124 24.5322 -27.4544 GPRESSAVG: 4101600 -10.7691 -41.0145 -44.6884 -40.0992 5.29584 23.6419 -46.596 23.4947 -27.4785 TIMING: 4101600 CPU: 12811.9, 0.0031413/step Wall: 12811.9, 0.0031413/step, 0.78393 hours remaining, 234.460938 MB of memory in use. ENERGY: 4101600 3924.6276 20441.8564 14485.7216 250.0139 -203039.4668 2362.5287 0.0000 0.0000 52281.7277 -109292.9909 300.4638 -161574.7186 -108930.2931 298.4781 80.4241 108.4492 761543.9584 -11.0873 -10.9839 PRESSURE: 4101800 177.495 15.1867 -64.8722 15.1873 -184.335 -2.82491 -64.8735 -2.82488 106.898 GPRESSURE: 4101800 254.517 -6.20381 -82.17 39.3729 -118.719 21.7513 -117.753 -26.8963 59.9033 PRESSAVG: 4101800 47.2582 -74.1325 -66.1691 -74.1325 -10.4437 10.3858 -66.1691 10.3858 -6.95257 GPRESSAVG: 4101800 46.6467 -75.1022 -65.9386 -71.3413 -9.76364 9.88086 -64.9597 10.8385 -7.1238 TIMING: 4101800 CPU: 12812.6, 0.00312191/step Wall: 12812.6, 0.0031219/step, 0.778915 hours remaining, 234.460938 MB of memory in use. ENERGY: 4101800 3927.6781 20673.0715 14494.2919 246.3415 -202943.7284 2355.2391 0.0000 0.0000 51820.5585 -109426.5477 297.8135 -161247.1061 -109064.3846 299.1974 33.3522 65.2338 760679.5076 9.9540 9.9198 PRESSURE: 4102000 201.999 22.3616 -140.122 22.3616 114.633 -282.404 -140.122 -282.403 -156.394 GPRESSURE: 4102000 237.934 120.283 -88.8 151.674 150.599 -201.297 -126.172 -292.845 -131.317 PRESSAVG: 4102000 13.2065 -55.4033 -51.2522 -55.4033 -23.4732 -12.7022 -51.2522 -12.7022 -5.5439 GPRESSAVG: 4102000 14.8236 -55.5753 -52.3795 -55.6297 -25.3026 -12.9923 -52.6481 -9.69911 -5.59202 TIMING: 4102000 CPU: 12813.2, 0.00312705/step Wall: 12813.2, 0.00312705/step, 0.780025 hours remaining, 234.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4102000 3899.2402 20578.6056 14464.8991 247.9229 -203267.8330 2831.1638 0.0000 0.0000 51842.3974 -109403.6039 297.9390 -161246.0012 -109049.3252 298.4331 53.4125 85.7385 761458.7545 -5.2702 -5.3570 PRESSURE: 4102200 -389.567 -17.9831 -58.9748 -17.9829 -57.2138 191.64 -58.9752 191.64 76.7853 GPRESSURE: 4102200 -255.556 51.4114 -137.326 31.754 -21.0083 134.659 19.6124 0.312016 2.0013 PRESSAVG: 4102200 -1.07464 -62.8154 30.595 -62.8154 -3.1952 -21.5297 30.5951 -21.5296 15.1696 GPRESSAVG: 4102200 -0.688847 -62.7816 31.4694 -62.1708 -2.54319 -20.3274 32.1843 -24.702 14.8028 TIMING: 4102200 CPU: 12813.8, 0.00315413/step Wall: 12813.8, 0.00315413/step, 0.786604 hours remaining, 234.460938 MB of memory in use. ENERGY: 4102200 4042.8741 20496.9274 14490.7147 261.2144 -202878.4644 2291.2499 0.0000 0.0000 51825.2246 -109470.2593 297.8403 -161295.4839 -109111.0295 298.7007 -123.3317 -91.5209 760220.9310 3.6332 3.8569 PRESSURE: 4102400 -215.748 -90.6022 -129.053 -90.6017 123.814 148.91 -129.053 148.91 -55.7921 GPRESSURE: 4102400 -223.362 -31.1859 -134.672 -75.0316 160.608 138.949 -95.8677 219.826 11.205 PRESSAVG: 4102400 22.0473 -1.12557 4.21413 -1.12555 -59.3404 32.0856 4.21412 32.0858 -9.42618 GPRESSAVG: 4102400 20.3981 -0.287277 3.96542 -2.78326 -59.745 33.5081 2.53767 29.7926 -7.16172 TIMING: 4102400 CPU: 12814.4, 0.00314011/step Wall: 12814.4, 0.00314011/step, 0.782934 hours remaining, 234.460938 MB of memory in use. ENERGY: 4102400 4009.3839 20536.3968 14521.9099 252.1332 -203233.0461 2551.3246 0.0000 0.0000 51877.0747 -109484.8230 298.1383 -161361.8977 -109121.3706 298.4657 -49.2421 -17.1828 761123.5372 -15.5731 -15.5029 PRESSURE: 4102600 181.533 -240.337 -180.166 -240.337 -96.991 -17.4035 -180.166 -17.4032 346.444 GPRESSURE: 4102600 158.873 -299.583 -178.805 -196.188 -8.68947 -18.3716 -221.964 61.8448 353.868 PRESSAVG: 4102600 -9.76838 -28.92 -35.6996 -28.92 -9.40964 19.7216 -35.6995 19.7216 19.9657 GPRESSAVG: 4102600 -8.60392 -28.1657 -37.2824 -29.165 -9.11343 19.1765 -33.7579 22.4263 18.4882 TIMING: 4102600 CPU: 12815.1, 0.0031464/step Wall: 12815.1, 0.0031464/step, 0.784327 hours remaining, 234.460938 MB of memory in use. ENERGY: 4102600 4017.0871 20481.6861 14513.3723 237.0876 -203460.2256 2570.1079 0.0000 0.0000 52058.9843 -109581.9003 299.1837 -161640.8846 -109223.0303 298.5948 143.6621 168.0173 760532.0947 0.2626 0.2570 PRESSURE: 4102800 -275.854 80.6534 -32.7085 80.6538 -189.032 94.7119 -32.708 94.7128 -49.5218 GPRESSURE: 4102800 -302.434 75.0741 -62.3314 110.364 -132.83 183.815 -51.4602 102.405 -1.6374 PRESSAVG: 4102800 -10.1203 -3.63116 -24.3886 -3.63119 22.7066 71.1104 -24.3886 71.1104 5.12225 GPRESSAVG: 4102800 -10.0625 -5.17047 -21.7444 -3.17338 22.6117 70.8227 -25.8537 70.1175 5.48283 TIMING: 4102800 CPU: 12815.7, 0.0031296/step Wall: 12815.7, 0.0031296/step, 0.779967 hours remaining, 234.460938 MB of memory in use. ENERGY: 4102800 4020.6762 20580.4413 14437.3857 261.5067 -203711.4503 2791.4134 0.0000 0.0000 52041.4947 -109578.5323 299.0832 -161620.0270 -109208.4953 299.1108 -171.4692 -145.6338 760542.6025 5.9029 6.0107 PRESSURE: 4103000 -322.421 78.286 -54.9151 78.2865 -79.5917 76.2995 -54.9146 76.3002 -153.825 GPRESSURE: 4103000 -247.34 103.358 -46.8007 17.2101 -146.135 4.97818 -240.704 -61.8087 -92.1621 PRESSAVG: 4103000 -30.7433 -19.115 -0.713631 -19.115 30.9901 -0.314474 -0.713623 -0.314451 21.468 GPRESSAVG: 4103000 -29.8527 -18.7105 -1.88296 -19.9628 30.266 -1.00043 -2.82024 -1.17813 21.7103 TIMING: 4103000 CPU: 12816.3, 0.00314551/step Wall: 12816.3, 0.00314551/step, 0.783757 hours remaining, 234.460938 MB of memory in use. ENERGY: 4103000 3973.4435 20623.8201 14430.0683 253.2492 -203304.3790 2696.9599 0.0000 0.0000 51758.9431 -109567.8949 297.4594 -161326.8380 -109208.8516 299.0678 -185.2793 -161.8793 762376.8330 7.2383 7.3745 PRESSURE: 4103200 -118.533 224.42 184.254 224.421 -116.978 -311.431 184.254 -311.43 669.379 GPRESSURE: 4103200 -79.7906 230.708 182.377 151.684 -48.2329 -266.622 165.121 -180.974 622.335 PRESSAVG: 4103200 17.11 36.0956 -17.4388 36.0957 -5.97365 9.35279 -17.4387 9.35288 1.0874 GPRESSAVG: 4103200 17.4134 36.783 -17.0402 37.2943 -5.15617 10.2208 -15.4909 10.1062 -0.0908242 TIMING: 4103200 CPU: 12817, 0.00313413/step Wall: 12817, 0.00313413/step, 0.780748 hours remaining, 234.460938 MB of memory in use. ENERGY: 4103200 3939.3319 20624.6943 14548.2001 247.1728 -203476.1798 2492.9558 0.0000 0.0000 52327.0603 -109296.7644 300.7243 -161623.8247 -108937.8562 299.3697 144.6226 164.7705 762417.7145 4.0746 4.0555 PRESSURE: 4103400 -278.889 -60.1087 -57.8415 -60.1092 -213.482 302.711 -57.8416 302.711 1.68862 GPRESSURE: 4103400 -252.572 -91.5298 37.0252 -14.2445 -200.283 307.979 79.7553 218.43 38.8718 PRESSAVG: 4103400 5.94967 16.0901 62.7992 16.09 11.3804 6.62958 62.7992 6.62961 12.245 GPRESSAVG: 4103400 3.84721 15.8253 61.9556 15.2332 11.7737 6.33891 63.1619 8.47439 14.4236 TIMING: 4103400 CPU: 12817.6, 0.00313265/step Wall: 12817.6, 0.00313265/step, 0.780203 hours remaining, 234.460938 MB of memory in use. ENERGY: 4103400 4049.8070 20592.4221 14522.6075 246.6854 -203312.4082 2520.3683 0.0000 0.0000 51938.8838 -109441.6340 298.4935 -161380.5179 -109083.6013 299.3023 -163.5607 -137.9945 761901.9488 9.8583 10.0148 PRESSURE: 4103600 -152.946 14.1649 169.463 14.1643 -293.498 16.1629 169.462 16.1617 -313.307 GPRESSURE: 4103600 -135.574 53.6848 238.742 -8.0297 -206.434 -46.8886 -44.5103 -19.4717 -326.313 PRESSAVG: 4103600 -25.0617 11.0809 48.178 11.081 52.4481 -0.61318 48.1781 -0.613261 -14.648 GPRESSAVG: 4103600 -23.712 11.3765 48.0938 11.8267 53.517 -1.34826 47.7447 -0.00290513 -16.8141 TIMING: 4103600 CPU: 12818.2, 0.00312798/step Wall: 12818.2, 0.00312797/step, 0.778866 hours remaining, 234.460938 MB of memory in use. ENERGY: 4103600 4031.5307 20516.0628 14512.7958 252.5419 -203272.8604 2523.6971 0.0000 0.0000 52153.4230 -109282.8090 299.7264 -161436.2320 -108921.8093 299.1244 -253.2504 -222.7736 763728.1621 4.2461 4.3303 PRESSURE: 4103800 397.554 -57.2407 -122.864 -57.2405 242.872 22.4542 -122.864 22.4538 216.161 GPRESSURE: 4103800 460.963 -62.9622 -147.177 -29.6306 296.852 -189.727 109.624 125.42 182.126 PRESSAVG: 4103800 0.776104 -36.3344 39.9043 -36.3344 5.84327 28.7353 39.9043 28.7353 10.6363 GPRESSAVG: 4103800 0.109964 -35.6854 40.0488 -36.8845 4.50387 28.0986 39.1969 27.2501 12.0211 TIMING: 4103800 CPU: 12818.8, 0.00312258/step Wall: 12818.8, 0.00312258/step, 0.777348 hours remaining, 234.460938 MB of memory in use. ENERGY: 4103800 3935.1923 20638.7668 14514.7897 249.4845 -203610.1249 2814.3063 0.0000 0.0000 51980.5983 -109476.9871 298.7332 -161457.5854 -109109.1980 299.2403 285.5289 313.3139 760613.0331 5.7519 5.5450 PRESSURE: 4104000 5.91727 -57.268 -43.3955 -57.2678 28.8573 341.835 -43.3956 341.834 -113.413 GPRESSURE: 4104000 74.8777 -85.8471 -45.6166 -62.0236 -14.0178 385.04 -73.4583 228.26 -44.9376 PRESSAVG: 4104000 -18.7878 23.3828 17.912 23.3828 48.0453 57.6087 17.912 57.6086 -6.40129 GPRESSAVG: 4104000 -17.97 22.3628 17.8904 26.1922 48.1103 59.6625 17.1873 57.37 -6.96493 TIMING: 4104000 CPU: 12819.5, 0.00312458/step Wall: 12819.5, 0.00312458/step, 0.777673 hours remaining, 234.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4104000 3984.0649 20651.4204 14455.5952 240.3803 -203066.7014 2553.5481 0.0000 0.0000 51784.8666 -109396.8260 297.6083 -161181.6926 -109042.8313 298.4490 -26.2129 5.3075 762651.4795 7.6187 7.7251 PRESSURE: 4104200 -175.899 128.544 112.436 128.545 314.621 179.844 112.436 179.843 -186.448 GPRESSURE: 4104200 -90.3874 21.1371 121.456 124.402 309.751 178.162 106.394 315.667 -195.657 PRESSAVG: 4104200 -13.1659 -15.9463 24.4951 -15.9463 19.1009 24.155 24.4951 24.155 29.7669 GPRESSAVG: 4104200 -13.2838 -16.2744 23.0027 -18.5363 19.1639 22.5437 26.4203 23.9117 29.9502 TIMING: 4104200 CPU: 12820.1, 0.00311619/step Wall: 12820.1, 0.00311619/step, 0.775413 hours remaining, 234.460938 MB of memory in use. ENERGY: 4104200 3925.6230 20514.5831 14470.2094 248.3795 -203121.9813 2552.0690 0.0000 0.0000 51911.5448 -109499.5725 298.3364 -161411.1173 -109135.4595 298.7898 -15.9087 7.9020 761828.4659 11.9006 11.9434 LDB: ============= START OF LOAD BALANCING ============== 12832.6 LDB: ============== END OF LOAD BALANCING =============== 12832.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12832.6 LDB: ============= START OF LOAD BALANCING ============== 12832.9 LDB: Largest compute 7048 load 0.030298 is 15.5% of average load 0.195252 LDB: Average compute 0.004413 is 2.3% of average load 0.195252 LDB: TIME 12832.9 LOAD: AVG 0.195252 MAX 0.215026 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.09 MB LDB: TIME 12832.9 LOAD: AVG 0.195252 MAX 0.215026 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.148 MB LDB: TIME 12832.9 LOAD: AVG 0.195252 MAX 0.215026 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.148 MB LDB: ============== END OF LOAD BALANCING =============== 12832.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12832.9 PRESSURE: 4104400 -182.081 -111.098 -286.535 -111.098 -146.422 -5.44292 -286.534 -5.44351 -305.193 GPRESSURE: 4104400 -239.696 -116.679 -222.187 -45.5784 -78.5977 -64.8276 -316.335 -60.0004 -221.525 PRESSAVG: 4104400 22.6226 -9.7107 -10.0854 -9.71069 -29.767 -34.1969 -10.0853 -34.1969 -13.522 GPRESSAVG: 4104400 22.7103 -8.92384 -8.97718 -10.9837 -29.9058 -35.24 -12.9605 -31.1442 -13.1574 TIMING: 4104400 CPU: 12820.7, 0.00317858/step Wall: 12820.7, 0.00317859/step, 0.790761 hours remaining, 234.261719 MB of memory in use. ENERGY: 4104400 3969.5612 20513.5984 14431.9430 237.4318 -203130.5338 2551.3356 0.0000 0.0000 51930.4847 -109496.1790 298.4452 -161426.6637 -109133.7790 298.7210 -211.2316 -179.9398 762127.2764 -6.8888 -6.7843 PRESSURE: 4104600 -183.153 280.572 52.2322 280.572 -50.5529 67.2136 52.233 67.2135 -137.86 GPRESSURE: 4104600 -152.21 245.807 37.7889 191.618 -28.4917 59.5693 42.4493 143.213 -132.457 PRESSAVG: 4104600 -7.88275 -19.6516 -19.6586 -19.6517 -25.7655 -30.7855 -19.6587 -30.7854 8.00781 GPRESSAVG: 4104600 -6.44071 -21.1425 -19.2791 -18.2003 -26.791 -29.6656 -19.6985 -32.2163 7.55135 TIMING: 4104600 CPU: 12821.3, 0.00310868/step Wall: 12821.3, 0.00310868/step, 0.773198 hours remaining, 234.261719 MB of memory in use. ENERGY: 4104600 4032.6285 20585.6528 14481.2229 218.0561 -203377.5665 2908.0039 0.0000 0.0000 51736.3429 -109415.6595 297.3295 -161152.0023 -109063.2296 298.2529 -123.8553 -104.3864 764613.4412 -8.5468 -8.5601 PRESSURE: 4104800 -150.295 120.125 -142.741 120.125 -251.931 41.8477 -142.741 41.8473 -335.454 GPRESSURE: 4104800 -132.028 147.073 -115.101 71.8247 -169.989 72.8775 -160.326 150.249 -353.834 PRESSAVG: 4104800 -1.16201 -13.4784 -24.5534 -13.4783 -13.915 4.97475 -24.5534 4.97475 27.8906 GPRESSAVG: 4104800 -1.3931 -13.1064 -27.2057 -14.3719 -13.7917 4.55386 -22.7281 4.24312 27.7126 TIMING: 4104800 CPU: 12822, 0.0031094/step Wall: 12822, 0.0031094/step, 0.773205 hours remaining, 234.261719 MB of memory in use. ENERGY: 4104800 3971.7806 20509.4124 14334.1923 242.0184 -202667.7653 2159.3944 0.0000 0.0000 51841.3981 -109609.5691 297.9332 -161450.9672 -109242.0562 298.6207 -245.8936 -218.6167 764005.6874 4.2712 4.1759 PRESSURE: 4105000 -207.878 -112.743 86.6892 -112.744 205.841 -195.221 86.6902 -195.222 -117.922 GPRESSURE: 4105000 -174.277 -104.88 65.2206 -72.0273 295.114 -158.187 11.3716 -232.494 -154.744 PRESSAVG: 4105000 -11.8051 -62.048 -11.6296 -62.0479 -6.79456 -46.681 -11.6297 -46.6809 -4.05021 GPRESSAVG: 4105000 -13.1467 -62.256 -11.2435 -62.9176 -5.21906 -45.8629 -9.06096 -47.7822 -3.95292 TIMING: 4105000 CPU: 12822.6, 0.00314224/step Wall: 12822.6, 0.00314224/step, 0.781197 hours remaining, 234.320312 MB of memory in use. ENERGY: 4105000 3915.4840 20417.7635 14387.3725 221.4813 -202781.1567 2418.7703 0.0000 0.0000 51885.5241 -109534.7609 298.1868 -161420.2850 -109181.2262 297.8485 -39.9863 -11.3025 762379.7378 -7.5500 -7.4396 PRESSURE: 4105200 -131.852 -18.3517 53.5349 -18.3511 97.4911 -151.123 53.5355 -151.123 276.6 GPRESSURE: 4105200 -129.875 -40.8353 -9.58879 18.8166 120.366 -164.817 29.1256 -81.1681 326.105 PRESSAVG: 4105200 -72.4603 -31.523 -26.3939 -31.523 76.6792 -34.7596 -26.3939 -34.7596 -2.41668 GPRESSAVG: 4105200 -72.5798 -30.8675 -26.7097 -30.1136 74.5168 -34.917 -29.5897 -34.4485 -0.240505 TIMING: 4105200 CPU: 12823.2, 0.00314495/step Wall: 12823.2, 0.00314495/step, 0.781695 hours remaining, 234.386719 MB of memory in use. ENERGY: 4105200 3937.8639 20577.1119 14465.6565 231.3567 -203183.1496 2746.2139 0.0000 0.0000 51848.6869 -109376.2598 297.9751 -161224.9467 -109017.5966 298.3583 80.7461 105.5319 762171.1345 0.6007 0.5655 PRESSURE: 4105400 -320.342 66.184 -106.633 66.1835 -266.24 9.0017 -106.633 9.00221 -55.4756 GPRESSURE: 4105400 -240.181 138.661 -51.9428 -20.6327 -227.35 -3.73824 -44.5889 -47.284 -77.1054 PRESSAVG: 4105400 8.43631 -16.9065 14.3031 -16.9065 -1.29291 -63.6825 14.3032 -63.6825 -6.07266 GPRESSAVG: 4105400 8.26467 -15.148 14.0088 -18.9263 0.382373 -65.2099 13.5318 -64.3827 -7.50957 TIMING: 4105400 CPU: 12823.8, 0.00314882/step Wall: 12823.8, 0.00314882/step, 0.782482 hours remaining, 234.386719 MB of memory in use. ENERGY: 4105400 4010.6095 20485.3404 14473.0117 251.0623 -203155.3559 2512.6893 0.0000 0.0000 51892.6463 -109529.9965 298.2278 -161422.6428 -109163.2436 298.8086 -214.0192 -181.5453 762992.8555 0.3569 0.3792 PRESSURE: 4105600 -99.7235 21.9413 188.7 21.9415 18.1267 57.719 188.7 57.7192 128.374 GPRESSURE: 4105600 -59.0299 -13.5891 294.104 -53.1717 -2.9405 140.674 109.503 -22.494 201.472 PRESSAVG: 4105600 1.39344 -10.1715 5.99758 -10.1715 52.9509 -17.8529 5.99749 -17.853 18.1028 GPRESSAVG: 4105600 1.8737 -10.7865 6.91938 -8.33936 51.5823 -16.8524 8.08291 -17.7708 18.8125 TIMING: 4105600 CPU: 12824.5, 0.00312939/step Wall: 12824.5, 0.00312939/step, 0.777478 hours remaining, 234.386719 MB of memory in use. ENERGY: 4105600 4012.8203 20504.2424 14395.8023 251.4950 -203643.4315 2783.4765 0.0000 0.0000 52153.9048 -109541.6901 299.7292 -161695.5949 -109183.4729 298.6841 15.5924 46.5005 760844.7230 24.1491 24.0895 PRESSURE: 4105800 294.46 119.798 -103.74 119.798 -32.0377 12.2386 -103.74 12.2389 53.7339 GPRESSURE: 4105800 318.903 46.4511 -111.814 28.3258 28.9648 -43.5909 -25.2848 28.2069 39.3983 PRESSAVG: 4105800 31.0389 -43.2385 3.97574 -43.2385 -34.4449 -18.2328 3.97575 -18.2328 -20.2313 GPRESSAVG: 4105800 31.8683 -44.021 4.03087 -45.7249 -34.1644 -17.9876 1.79062 -18.4733 -21.303 TIMING: 4105800 CPU: 12825.1, 0.00312377/step Wall: 12825.1, 0.00312377/step, 0.77591 hours remaining, 234.386719 MB of memory in use. ENERGY: 4105800 4001.7282 20418.4381 14486.3058 237.8049 -203251.4043 2663.3856 0.0000 0.0000 52152.3167 -109291.4251 299.7201 -161443.7418 -108920.2991 299.0684 105.3855 129.0888 761503.0793 -7.8791 -7.8663 PRESSURE: 4106000 -53.3109 47.8708 -54.623 47.871 -264.965 -93.2874 -54.6223 -93.288 162.267 GPRESSURE: 4106000 70.9218 59.9357 50.4394 -5.86176 -228.553 -186.367 -178.627 -116.147 92.0686 PRESSAVG: 4106000 10.1815 -64.3782 -1.09084 -64.3781 -15.8475 -4.36727 -1.09089 -4.36723 -11.7883 GPRESSAVG: 4106000 9.76512 -64.3421 -0.359215 -60.7331 -16.6544 -4.96521 -1.08588 -2.27523 -10.8323 TIMING: 4106000 CPU: 12825.7, 0.00312004/step Wall: 12825.7, 0.00312004/step, 0.77481 hours remaining, 234.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4106000 3973.4829 20437.2215 14474.1619 249.4564 -203276.6613 2710.5208 0.0000 0.0000 52191.4776 -109240.3401 299.9451 -161431.8177 -108873.3424 299.6128 -52.0029 -21.8542 762640.1189 -5.8181 -5.9072 PRESSURE: 4106200 -258.186 55.0385 -226.305 55.0381 170.54 143.862 -226.305 143.862 -288.631 GPRESSURE: 4106200 -242.104 19.7603 -150.537 -34.1119 176.546 239.79 -202.755 194.59 -229.617 PRESSAVG: 4106200 -32.623 -40.5405 12.9649 -40.5404 14.5213 42.6709 12.9649 42.671 -25.5594 GPRESSAVG: 4106200 -32.3397 -41.4777 12.366 -44.0514 15.526 43.356 13.2311 39.6991 -26.6227 TIMING: 4106200 CPU: 12826.3, 0.00311048/step Wall: 12826.3, 0.00311048/step, 0.772262 hours remaining, 234.386719 MB of memory in use. ENERGY: 4106200 4010.3847 20665.3851 14479.3650 241.4639 -202726.2295 2374.9237 0.0000 0.0000 51960.3231 -108994.3840 298.6167 -160954.7071 -108634.6489 299.4262 -125.4254 -98.3916 762546.6650 -14.5537 -14.4788 PRESSURE: 4106400 -5.5591 -165.977 -13.8833 -165.978 138.915 51.4715 -13.8834 51.4709 -168.857 GPRESSURE: 4106400 -14.3322 -29.5283 -84.5517 -117.335 139.646 46.5271 -44.6463 125.451 -94.7571 PRESSAVG: 4106400 -15.0854 -29.454 -42.1663 -29.4541 -19.4824 -32.0565 -42.1663 -32.0565 -21.6369 GPRESSAVG: 4106400 -14.7379 -29.3413 -43.2514 -27.5128 -20.1925 -31.9182 -40.2141 -29.0755 -21.3065 TIMING: 4106400 CPU: 12827, 0.00310446/step Wall: 12827, 0.00310446/step, 0.770595 hours remaining, 234.386719 MB of memory in use. ENERGY: 4106400 3907.1137 20519.7072 14465.8095 224.1446 -202619.2166 2363.4272 0.0000 0.0000 52205.2876 -108933.7268 300.0245 -161139.0144 -108576.1425 299.6377 -11.8337 10.1855 763863.1607 -18.7349 -18.7456 PRESSURE: 4106600 -367.868 -53.4359 155.935 -53.4364 -275.736 18.5365 155.935 18.5376 -282.709 GPRESSURE: 4106600 -239.424 -108 198.792 3.88674 -185.767 12.198 105.2 -48.5217 -411.86 PRESSAVG: 4106600 3.68159 -67.1358 9.6642 -67.1358 -10.1799 12.3951 9.66417 12.3951 18.6576 GPRESSAVG: 4106600 4.18565 -66.0392 11.1988 -68.4164 -10.5832 11.9093 7.99948 10.4545 18.567 TIMING: 4106600 CPU: 12827.6, 0.00312042/step Wall: 12827.6, 0.00312042/step, 0.774383 hours remaining, 234.386719 MB of memory in use. ENERGY: 4106600 4031.3355 20452.5623 14372.5488 242.8145 -202433.0359 2146.2866 0.0000 0.0000 51986.3868 -109201.1013 298.7665 -161187.4882 -108834.4518 299.2531 -308.7708 -279.0166 763796.8797 4.0531 4.0565 PRESSURE: 4106800 -283.905 -296.292 180.531 -296.292 -374.14 88.722 180.531 88.7215 -407.579 GPRESSURE: 4106800 -153.705 -231.756 184.399 -333.307 -341.434 236.704 72.5568 -69.5903 -504.202 PRESSAVG: 4106800 44.7711 -42.5236 2.63545 -42.5235 -91.6586 17.5344 2.63541 17.5343 32.935 GPRESSAVG: 4106800 44.815 -44.5006 2.12318 -41.6456 -92.7987 17.3308 3.02378 16.3086 34.1067 TIMING: 4106800 CPU: 12828.2, 0.00311395/step Wall: 12828.2, 0.00311395/step, 0.772605 hours remaining, 234.386719 MB of memory in use. ENERGY: 4106800 4072.8381 20369.2732 14460.0859 257.3418 -203132.3477 2667.9657 0.0000 0.0000 52067.0770 -109237.7660 299.2302 -161304.8430 -108876.5088 298.9945 -355.2079 -333.1137 763018.9840 -4.6508 -4.6256 PRESSURE: 4107000 -40.3107 38.7058 -1.98716 38.7066 -21.939 98.2641 -1.9862 98.2637 73.9764 GPRESSURE: 4107000 -42.4586 -14.1614 -135.91 157.478 77.7652 60.5862 -72.0197 28.3179 39.4339 PRESSAVG: 4107000 58.2814 -9.40788 -28.8621 -9.40784 -0.473578 -15.6176 -28.8621 -15.6176 -14.8177 GPRESSAVG: 4107000 56.66 -9.16118 -28.5364 -8.58234 0.550333 -15.366 -29.195 -11.6908 -14.6032 TIMING: 4107000 CPU: 12828.8, 0.00313297/step Wall: 12828.8, 0.00313297/step, 0.777151 hours remaining, 234.386719 MB of memory in use. ENERGY: 4107000 4007.7814 20496.8110 14402.4628 245.8949 -203249.1795 2755.2091 0.0000 0.0000 52107.1326 -109233.8877 299.4604 -161341.0203 -108866.9066 299.1013 3.9089 24.9135 762608.8620 14.3301 14.2024 PRESSURE: 4107200 -257.326 -126.298 -159.864 -126.299 41.0035 234.395 -159.864 234.395 338.625 GPRESSURE: 4107200 -110.911 -210.608 -197.815 -78.6394 -25.7104 198.89 61.8979 238.116 351.105 PRESSAVG: 4107200 0.794109 4.42471 13.7202 4.4247 34.0179 31.0092 13.7202 31.0092 -11.8312 GPRESSAVG: 4107200 1.86697 6.33647 15.0925 3.9418 32.5668 31.0573 13.5907 29.9874 -12.111 TIMING: 4107200 CPU: 12829.5, 0.00309663/step Wall: 12829.5, 0.00309663/step, 0.767964 hours remaining, 234.386719 MB of memory in use. ENERGY: 4107200 3974.2933 20404.5193 14444.4843 245.7609 -203314.2083 2947.3005 0.0000 0.0000 52094.2004 -109203.6497 299.3861 -161297.8501 -108844.2528 299.2191 40.7676 71.4943 762628.1589 7.6603 7.4409 PRESSURE: 4107400 9.14105 -276.644 -77.1079 -276.643 -214.526 138.648 -77.1079 138.648 84.9742 GPRESSURE: 4107400 -32.8701 -174.372 -18.0687 -236.895 -183.482 216.758 18.6804 124.442 183.924 PRESSAVG: 4107400 -16.7284 -8.41866 5.25509 -8.41871 -18.3425 10.8239 5.25506 10.8238 5.32574 GPRESSAVG: 4107400 -16.7508 -9.76337 4.13341 -7.8242 -17.8992 9.50549 7.18504 10.8326 4.91212 TIMING: 4107400 CPU: 12830.1, 0.00313513/step Wall: 12830.1, 0.00313513/step, 0.777339 hours remaining, 234.386719 MB of memory in use. ENERGY: 4107400 4019.2906 20409.9888 14478.6931 246.2418 -202992.2543 2755.4808 0.0000 0.0000 51919.9964 -109162.5627 298.3849 -161082.5591 -108783.0163 299.2304 -40.1371 -10.8091 763690.7841 -9.9150 -9.9126 PRESSURE: 4107600 79.4632 111.705 188.677 111.706 -24.3064 114.246 188.677 114.246 -45.7964 GPRESSURE: 4107600 41.9226 112.594 131.411 54.7568 72.1732 105.706 196.626 22.4428 -30.9946 PRESSAVG: 4107600 33.5823 -30.7033 -26.6544 -30.7034 -49.426 6.92349 -26.6543 6.92353 -7.73389 GPRESSAVG: 4107600 33.2225 -29.821 -26.7218 -30.7871 -48.9537 9.66146 -28.8782 3.1039 -7.65649 TIMING: 4107600 CPU: 12830.7, 0.00312086/step Wall: 12830.7, 0.00312086/step, 0.773626 hours remaining, 234.386719 MB of memory in use. ENERGY: 4107600 3946.1511 20465.1439 14360.8765 228.4368 -202538.3570 2365.7585 0.0000 0.0000 51882.1797 -109289.8105 298.1676 -161171.9901 -108920.7567 298.8042 3.1201 27.7004 764257.5781 -7.8592 -7.7959 PRESSURE: 4107800 -262.903 -101.944 20.6933 -101.945 287.044 119.778 20.694 119.778 473.473 GPRESSURE: 4107800 -129.177 -193.535 -35.4679 46.7722 296.388 67.8884 -131.473 58.0959 418.86 PRESSAVG: 4107800 54.72 -29.3946 -16.5104 -29.3946 -38.6206 24.6549 -16.5104 24.6549 10.851 GPRESSAVG: 4107800 55.5001 -29.7579 -18.2397 -31.0828 -38.3343 22.8495 -13.7285 26.8694 10.22 TIMING: 4107800 CPU: 12831.3, 0.00311318/step Wall: 12831.3, 0.00311318/step, 0.771551 hours remaining, 234.386719 MB of memory in use. ENERGY: 4107800 3971.9208 20546.4943 14386.4073 218.5479 -203132.1977 2628.4580 0.0000 0.0000 52175.0379 -109205.3314 299.8507 -161380.3693 -108848.5728 299.0610 165.8716 195.3569 762403.3589 8.9835 9.1286 PRESSURE: 4108000 57.4811 -85.1321 -62.421 -85.1324 -34.4698 65.8597 -62.4212 65.8595 -124.736 GPRESSURE: 4108000 -5.06677 -64.2949 25.8051 -87.7652 45.1378 45.8734 -67.2499 109.53 -47.0458 PRESSAVG: 4108000 -12.8162 -76.9344 -40.0776 -76.9343 7.41129 23.3233 -40.0777 23.3233 -10.1072 GPRESSAVG: 4108000 -13.2983 -76.3208 -38.3363 -75.4335 7.7564 23.9466 -42.5566 24.1082 -9.59563 TIMING: 4108000 CPU: 12832, 0.0031138/step Wall: 12832, 0.0031138/step, 0.771531 hours remaining, 234.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4108000 3967.8346 20657.9982 14452.9473 240.4985 -203219.4951 2610.2430 0.0000 0.0000 51823.8725 -109466.1010 297.8325 -161289.9735 -109107.2512 299.2944 -33.9081 -2.3249 761781.1117 -5.1707 -5.0458 PRESSURE: 4108200 153.474 7.92496 -143.75 7.92382 16.6154 -29.3938 -143.75 -29.3943 -101.026 GPRESSURE: 4108200 113.568 75.5952 -114.944 -66.5885 38.4927 -35.5986 -110.479 -41.1017 -0.712395 PRESSAVG: 4108200 -49.1574 36.3177 -21.9379 36.3177 35.3597 35.6987 -21.9379 35.6986 35.86 GPRESSAVG: 4108200 -47.1427 34.1887 -20.9533 36.5306 34.325 35.4831 -22.0201 35.559 35.1293 TIMING: 4108200 CPU: 12832.6, 0.00312641/step Wall: 12832.6, 0.00312641/step, 0.77448 hours remaining, 234.386719 MB of memory in use. ENERGY: 4108200 3982.6116 20680.6396 14492.6279 274.3392 -203328.3637 2526.5862 0.0000 0.0000 52025.2950 -109346.2642 298.9901 -161371.5592 -108988.5019 299.4055 23.0213 50.4495 761634.9729 7.3541 7.4372 LDB: ============= START OF LOAD BALANCING ============== 12845.1 LDB: ============== END OF LOAD BALANCING =============== 12845.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12845.1 LDB: ============= START OF LOAD BALANCING ============== 12845.4 LDB: Largest compute 7048 load 0.029135 is 14.9% of average load 0.195155 LDB: Average compute 0.004409 is 2.3% of average load 0.195155 LDB: TIME 12845.4 LOAD: AVG 0.195155 MAX 0.215463 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.031 MB LDB: TIME 12845.4 LOAD: AVG 0.195155 MAX 0.215463 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.031 MB LDB: TIME 12845.4 LOAD: AVG 0.195155 MAX 0.215463 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.031 MB LDB: ============== END OF LOAD BALANCING =============== 12845.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12845.4 PRESSURE: 4108400 132.18 91.521 -14.0385 91.5214 67.7889 141.112 -14.0387 141.111 92.0697 GPRESSURE: 4108400 136.526 124.838 34.0111 27.2655 129.98 155.104 -131.761 155.734 118.371 PRESSAVG: 4108400 -28.7133 5.96422 5.88237 5.96423 68.0064 30.0675 5.88239 30.0674 5.65531 GPRESSAVG: 4108400 -30.2267 7.78807 4.81324 5.11938 68.8981 30.3169 7.59063 29.7804 6.22473 TIMING: 4108400 CPU: 12833.2, 0.00319245/step Wall: 12833.2, 0.00319245/step, 0.790663 hours remaining, 234.320312 MB of memory in use. ENERGY: 4108400 3960.4608 20504.3735 14500.2983 238.9593 -203143.2553 2395.6232 0.0000 0.0000 52024.1672 -109519.3731 298.9836 -161543.5403 -109157.6651 298.9212 97.3462 128.2924 759975.6561 14.9828 14.9654 PRESSURE: 4108600 -125.546 -26.0877 208.869 -26.0876 -4.5448 191.528 208.87 191.527 -438.599 GPRESSURE: 4108600 -81.1166 -57.2995 238.265 -57.1068 8.71894 251.722 197.442 182.765 -420.683 PRESSAVG: 4108600 -12.2345 -19.0573 31.0899 -19.0572 -14.8431 54.5238 31.0899 54.5238 -13.7784 GPRESSAVG: 4108600 -12.4355 -18.3298 30.7276 -18.7093 -15.762 52.0915 31.3347 56.136 -12.8822 TIMING: 4108600 CPU: 12833.8, 0.0031227/step Wall: 12833.8, 0.00312271/step, 0.773217 hours remaining, 234.582031 MB of memory in use. ENERGY: 4108600 3887.0447 20332.9745 14449.7978 250.6640 -202918.4660 2391.2118 0.0000 0.0000 52278.3798 -109328.3933 300.4446 -161606.7731 -108954.7571 298.7978 -189.5633 -164.3604 762512.8290 -13.6187 -13.6932 PRESSURE: 4108800 -118.944 37.394 -12.2681 37.3936 -100.806 250.806 -12.2672 250.806 114.881 GPRESSURE: 4108800 -106.388 -111.793 -58.6104 15.9912 -65.3183 205.274 45.5283 221.795 128.695 PRESSAVG: 4108800 21.2409 -49.2285 -8.03624 -49.2285 -23.8969 64.8977 -8.03627 64.8976 27.0181 GPRESSAVG: 4108800 22.1427 -49.6687 -7.95677 -50.8336 -24.031 66.7094 -8.73049 65.5099 26.2208 TIMING: 4108800 CPU: 12834.5, 0.00312096/step Wall: 12834.5, 0.00312096/step, 0.772611 hours remaining, 234.582031 MB of memory in use. ENERGY: 4108800 3989.2758 20558.7062 14507.5112 247.4742 -203241.2928 2545.5518 0.0000 0.0000 52203.3735 -109189.4000 300.0135 -161392.7735 -108823.9953 299.4672 -34.9560 -14.3371 762726.3278 8.1207 8.1109 PRESSURE: 4109000 27.0451 120.878 -78.7113 120.879 -188.744 46.7673 -78.7117 46.7678 -435.324 GPRESSURE: 4109000 74.8813 21.4919 4.89228 103.673 -79.1866 65.6922 -9.24737 13.2149 -523.105 PRESSAVG: 4109000 -22.229 3.76725 14.4211 3.76726 29.6302 56.9732 14.4211 56.9732 7.5329 GPRESSAVG: 4109000 -21.6025 4.29433 15.6064 5.2817 30.3287 56.8593 12.9293 54.5425 6.13073 TIMING: 4109000 CPU: 12835.1, 0.00311387/step Wall: 12835.1, 0.00311387/step, 0.770683 hours remaining, 234.648438 MB of memory in use. ENERGY: 4109000 3985.7959 20617.7520 14428.1131 246.2066 -203689.3122 2882.0170 0.0000 0.0000 52415.7431 -109113.6845 301.2340 -161529.4276 -108750.4458 300.0714 -199.0075 -175.8034 761839.9350 4.9780 4.9523 PRESSURE: 4109200 9.22073 13.5756 117.583 13.576 210.137 -61.0838 117.583 -61.0832 56.9681 GPRESSURE: 4109200 32.8153 3.06312 137.906 -31.8428 299.465 -91.6694 91.8999 30.5773 34.8327 PRESSAVG: 4109200 18.8252 0.758643 28.0952 0.758664 4.71333 -3.21569 28.0952 -3.21563 -7.29508 GPRESSAVG: 4109200 16.636 -1.4801 26.9159 0.848967 6.51029 -2.64619 32.0042 -2.47171 -6.82449 TIMING: 4109200 CPU: 12835.7, 0.00309541/step Wall: 12835.7, 0.00309541/step, 0.765942 hours remaining, 234.648438 MB of memory in use. ENERGY: 4109200 3902.9924 20591.5691 14461.2820 236.8216 -203158.2358 2707.9948 0.0000 0.0000 52124.1719 -109133.4040 299.5583 -161257.5759 -108768.7611 299.4523 92.1087 122.3711 762944.2447 5.4145 5.4406 PRESSURE: 4109400 267.864 -226.33 149.984 -226.33 -99.3377 -98.9974 149.984 -98.9972 91.3711 GPRESSURE: 4109400 251.984 -146.219 167.742 -228.251 -100.658 -20.4668 344.608 -128.208 208.328 PRESSAVG: 4109400 -28.3368 -13.5919 26.6015 -13.5919 22.972 -30.6166 26.6014 -30.6166 -17.3048 GPRESSAVG: 4109400 -28.2052 -13.2524 25.9822 -11.2783 23.5872 -30.3834 26.3895 -30.7576 -17.726 TIMING: 4109400 CPU: 12836.3, 0.00309846/step Wall: 12836.3, 0.00309846/step, 0.766525 hours remaining, 234.648438 MB of memory in use. ENERGY: 4109400 4012.6435 20574.2261 14487.0093 234.7526 -203139.1929 2779.1420 0.0000 0.0000 51912.5729 -109138.8464 298.3423 -161051.4193 -108783.3159 299.4058 86.6324 119.8850 763120.9919 -7.5565 -7.4480 PRESSURE: 4109600 45.965 13.6766 79.2103 13.6766 9.70755 -30.3618 79.2104 -30.3621 57.2957 GPRESSURE: 4109600 40.2751 6.36302 -25.4112 -7.9025 63.8316 118.069 120.905 -122.377 83.4259 PRESSAVG: 4109600 4.77613 -24.3592 -7.63519 -24.3591 -33.715 13.8532 -7.63522 13.8532 4.42768 GPRESSAVG: 4109600 5.80157 -24.0081 -7.38474 -27.5798 -35.1437 14.073 -7.39312 12.9792 4.40329 TIMING: 4109600 CPU: 12836.9, 0.0030899/step Wall: 12836.9, 0.0030899/step, 0.764235 hours remaining, 234.648438 MB of memory in use. ENERGY: 4109600 4003.1978 20633.7897 14467.4555 241.5698 -203385.7939 2761.6885 0.0000 0.0000 52215.7871 -109062.3055 300.0848 -161278.0926 -108703.6989 299.1323 37.6561 62.5108 760829.1731 -8.1704 -8.3129 PRESSURE: 4109800 220.269 7.59785 236.448 7.59795 -56.6011 -159.544 236.448 -159.545 75.8806 GPRESSURE: 4109800 235.341 -107.176 160.311 -45.0618 9.29257 -218.061 254.272 -162.519 84.786 PRESSAVG: 4109800 49.1438 -1.88135 25.6294 -1.88129 -49.776 -28.9744 25.6295 -28.9744 2.43457 GPRESSAVG: 4109800 48.4555 -1.35081 25.1906 -2.10273 -50.1975 -30.5559 24.4941 -25.2068 3.03119 TIMING: 4109800 CPU: 12837.6, 0.00310798/step Wall: 12837.6, 0.00310798/step, 0.768534 hours remaining, 234.648438 MB of memory in use. ENERGY: 4109800 3977.5272 20684.4100 14493.2374 240.9011 -203121.9060 2657.9110 0.0000 0.0000 52168.2753 -108899.6439 299.8118 -161067.9192 -108540.2263 299.9143 79.8494 109.8067 762839.4859 0.6008 0.4297 PRESSURE: 4110000 65.8504 234.664 -51.7984 234.664 -57.6237 339.413 -51.7979 339.413 280.275 GPRESSURE: 4110000 157.688 50.304 -122.268 263.067 17.6372 202.824 7.23262 322.899 211.541 PRESSAVG: 4110000 48.5848 15.0503 16.4974 15.0503 -59.0725 37.81 16.4974 37.81 2.69119 GPRESSAVG: 4110000 50.1972 13.5265 17.6541 15.3141 -58.7235 39.9453 17.2596 36.172 1.08277 TIMING: 4110000 CPU: 12838.2, 0.00308821/step Wall: 12838.2, 0.00308821/step, 0.763473 hours remaining, 234.648438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4110000 3967.4522 20499.3860 14549.2885 228.5951 -202902.9627 2781.6000 0.0000 0.0000 51940.7315 -108935.9094 298.5041 -160876.6410 -108568.2673 300.3301 96.1674 128.9555 764433.9335 -2.5988 -2.4812 PRESSURE: 4110200 33.2391 -318.385 272.015 -318.386 75.6027 -92.4287 272.015 -92.4288 -10.1359 GPRESSURE: 4110200 31.3377 -355.478 259.648 -279.415 116.874 -160.556 307.993 -33.4869 43.3809 PRESSAVG: 4110200 12.1964 0.347014 25.7188 0.347073 -23.0174 13.3679 25.7187 13.368 27.7346 GPRESSAVG: 4110200 12.2929 0.728206 24.8185 0.00826318 -22.5474 12.0477 24.7827 14.1952 27.9489 TIMING: 4110200 CPU: 12838.8, 0.00309861/step Wall: 12838.8, 0.00309861/step, 0.765872 hours remaining, 234.648438 MB of memory in use. ENERGY: 4110200 3971.1755 20756.2559 14472.8128 258.6117 -203222.7437 2634.6872 0.0000 0.0000 52005.1468 -109124.0538 298.8743 -161129.2007 -108762.0497 300.1168 32.9020 63.8642 762054.9242 5.6378 5.8981 PRESSURE: 4110400 196.724 -117.628 112.882 -117.628 198.348 -50.9218 112.882 -50.9216 65.7588 GPRESSURE: 4110400 303.2 -2.3457 34.103 57.9159 207.201 -46.4314 55.6417 -94.8965 16.6523 PRESSAVG: 4110400 -15.6922 -25.4926 26.0371 -25.4926 0.746466 -8.3901 26.0371 -8.3901 0.274523 GPRESSAVG: 4110400 -16.5341 -24.0748 26.9722 -23.7223 0.795876 -7.74577 25.2233 -9.14895 0.57308 TIMING: 4110400 CPU: 12839.4, 0.00310807/step Wall: 12839.4, 0.00310807/step, 0.768038 hours remaining, 234.648438 MB of memory in use. ENERGY: 4110400 4010.1568 20718.2291 14427.0750 253.1618 -203417.5510 2873.0985 0.0000 0.0000 51961.2601 -109174.5696 298.6221 -161135.8297 -108818.3521 299.7435 153.6103 175.6845 762844.2779 -4.8904 -5.0550 PRESSURE: 4110600 209.399 -58.9908 -170.91 -58.9898 174.97 45.9221 -170.91 45.9222 -486.812 GPRESSURE: 4110600 231.796 -51.0677 -207.179 4.37305 166.782 88.2034 -137.397 146.492 -439.332 PRESSAVG: 4110600 2.22245 19.1423 -18.0417 19.1423 -16.2918 -22.512 -18.0417 -22.5121 -2.49354 GPRESSAVG: 4110600 3.77294 18.0718 -16.0091 17.1692 -16.9588 -22.3344 -18.5295 -22.4403 -2.90683 TIMING: 4110600 CPU: 12840.1, 0.0031252/step Wall: 12840.1, 0.0031252/step, 0.772098 hours remaining, 234.648438 MB of memory in use. ENERGY: 4110600 3985.7426 20541.6026 14456.8185 245.8751 -203223.7091 2691.3341 0.0000 0.0000 52093.0521 -109209.2841 299.3795 -161302.3362 -108846.5076 299.1595 -34.1479 -13.5849 762520.3452 -5.5210 -5.3642 PRESSURE: 4110800 136.966 111.476 68.7108 111.476 114.399 7.32282 68.7109 7.3223 -67.1431 GPRESSURE: 4110800 155.525 21.7375 218.27 63.0988 146.707 42.9603 12.9934 0.218085 -34.9176 PRESSAVG: 4110800 -4.85612 24.9471 -49.2183 24.9471 14.3905 22.2858 -49.2183 22.2857 -0.958854 GPRESSAVG: 4110800 -5.44012 24.2186 -51.458 26.6421 13.8568 22.1862 -48.1924 23.4927 -0.221831 TIMING: 4110800 CPU: 12840.7, 0.00311694/step Wall: 12840.7, 0.00311694/step, 0.769883 hours remaining, 234.648438 MB of memory in use. ENERGY: 4110800 3987.5252 20466.3531 14445.2509 244.7240 -203041.5397 2585.7076 0.0000 0.0000 51982.6837 -109329.2952 298.7452 -161311.9789 -108964.2600 298.7579 61.4073 89.1051 762315.2378 2.8585 2.7316 PRESSURE: 4111000 44.02 -126.889 -123.665 -126.888 -20.9118 -203.069 -123.665 -203.071 -47.9619 GPRESSURE: 4111000 106.904 -156.443 -148.665 -120.287 71.1289 -183.247 -57.9069 -26.6314 -101.717 PRESSAVG: 4111000 61.1322 -4.43248 40.8955 -4.43247 -10.2886 8.16946 40.8954 8.16944 12.2775 GPRESSAVG: 4111000 60.1518 -2.9423 38.6213 -5.40256 -9.89342 8.18022 40.718 5.65435 12.2517 TIMING: 4111000 CPU: 12841.3, 0.00310438/step Wall: 12841.3, 0.00310438/step, 0.766608 hours remaining, 234.648438 MB of memory in use. ENERGY: 4111000 3953.3007 20451.1309 14427.4597 243.2455 -203500.0132 2751.0397 0.0000 0.0000 52252.3033 -109421.5333 300.2947 -161673.8367 -109056.0875 299.1126 -8.2846 25.4386 761395.6266 21.0404 20.8367 PRESSURE: 4111200 361.825 11.9505 -86.1723 11.9508 124.351 139.328 -86.1728 139.328 -125.59 GPRESSURE: 4111200 278.868 -61.9345 -66.3033 -37.3939 215.256 74.7085 64.4552 101.551 -70.3185 PRESSAVG: 4111200 -26.1413 -17.4287 2.689 -17.4287 40.6191 -4.52767 2.68888 -4.52759 -4.21356 GPRESSAVG: 4111200 -26.2247 -16.698 3.55332 -16.8287 40.6954 -5.1963 3.31014 -2.82571 -4.20228 TIMING: 4111200 CPU: 12841.9, 0.00312088/step Wall: 12841.9, 0.00312088/step, 0.770512 hours remaining, 234.648438 MB of memory in use. ENERGY: 4111200 3951.2695 20445.7048 14362.9485 251.0118 -202981.7585 2666.4276 0.0000 0.0000 51849.1543 -109455.2420 297.9778 -161304.3963 -109093.6488 297.9817 120.1957 141.2682 761898.6577 3.4214 3.4228 PRESSURE: 4111400 -253.338 -53.294 -317.968 -53.2935 23.6637 220.761 -317.967 220.762 36.1038 GPRESSURE: 4111400 -191.847 -28.9719 -291.373 -43.2704 63.4093 173.126 -156.883 215.405 26.0564 PRESSAVG: 4111400 -18.6216 -52.3671 -73.3762 -52.3671 -7.90233 50.1324 -73.3761 50.1323 10.4499 GPRESSAVG: 4111400 -18.9522 -53.3864 -71.7486 -51.7851 -8.44619 51.483 -73.7699 49.8377 11.5855 TIMING: 4111400 CPU: 12842.5, 0.00312962/step Wall: 12842.5, 0.00312962/step, 0.772495 hours remaining, 234.648438 MB of memory in use. ENERGY: 4111400 3950.4937 20530.6977 14417.3724 245.3918 -203164.4493 2469.7740 0.0000 0.0000 52026.8984 -109523.8213 298.9993 -161550.7197 -109169.9640 298.2506 -64.5235 -34.1270 762467.5430 -5.3580 -5.2710 PRESSURE: 4111600 -153.524 75.8733 -193.641 75.8732 89.8433 -69.0939 -193.64 -69.0938 82.7235 GPRESSURE: 4111600 -53.728 46.6373 -219.151 62.1239 117.044 -1.46141 -82.7978 -152.053 29.2416 PRESSAVG: 4111600 -18.4428 19.9668 -41.0497 19.9668 44.4716 22.9197 -41.0497 22.9197 -0.855403 GPRESSAVG: 4111600 -17.3946 20.3286 -42.2146 19.7512 44.6525 22.8108 -38.5433 22.9998 -2.16182 TIMING: 4111600 CPU: 12843.2, 0.00314196/step Wall: 12843.2, 0.00314196/step, 0.775366 hours remaining, 234.648438 MB of memory in use. ENERGY: 4111600 3954.6780 20441.7503 14398.5558 240.8872 -203047.5910 2538.9954 0.0000 0.0000 51974.1780 -109498.5463 298.6963 -161472.7243 -109141.6187 297.9738 6.3477 30.8526 763285.8514 8.3911 8.3654 PRESSURE: 4111800 26.6414 293.433 137.332 293.432 -220.889 250.96 137.333 250.96 -72.3148 GPRESSURE: 4111800 18.271 293.562 36.6341 151.303 -121.928 185.352 71.6308 234.606 -82.845 PRESSAVG: 4111800 -25.31 27.7496 -2.60466 27.7496 25.4901 68.0819 -2.60467 68.0819 26.559 GPRESSAVG: 4111800 -26.1024 27.9496 -3.85094 27.9778 25.6032 65.042 -5.29787 68.5563 26.6493 TIMING: 4111800 CPU: 12843.8, 0.00313577/step Wall: 12843.8, 0.00313577/step, 0.773665 hours remaining, 234.648438 MB of memory in use. ENERGY: 4111800 4007.0449 20536.4271 14488.6396 247.8269 -203197.8075 2619.7960 0.0000 0.0000 51923.4205 -109374.6525 298.4046 -161298.0730 -109010.8175 298.3138 -88.8540 -62.1673 760251.9534 8.9130 8.7167 PRESSURE: 4112000 -143.233 31.8778 37.0628 31.8768 66.9055 204.591 37.0634 204.591 167.407 GPRESSURE: 4112000 -155.062 -4.65619 120.671 56.4843 174.692 218.429 82.1409 54.9801 142.638 PRESSAVG: 4112000 5.56068 -24.1106 -8.59963 -24.1106 -10.5723 57.9973 -8.59962 57.9973 -14.8109 GPRESSAVG: 4112000 5.00068 -23.2367 -7.23589 -25.0002 -10.6714 59.4442 -6.68795 57.1897 -14.5439 TIMING: 4112000 CPU: 12844.4, 0.00314341/step Wall: 12844.4, 0.00314341/step, 0.775374 hours remaining, 234.648438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4112000 4023.0933 20423.1060 14438.1830 241.0456 -202758.2746 2455.4426 0.0000 0.0000 51978.4442 -109198.9599 298.7208 -161177.4040 -108834.0382 298.7821 30.3597 54.0893 761850.8582 -6.6075 -6.7382 PRESSURE: 4112200 -288.968 64.1381 -2.86541 64.1375 2.70363 -130.97 -2.86568 -130.971 -510.856 GPRESSURE: 4112200 -309.465 -20.943 -24.67 68.389 47.4176 -115.817 -47.6406 -131.297 -427.322 PRESSAVG: 4112200 -15.6827 -17.2976 -42.5771 -17.2976 57.4417 38.9297 -42.5771 38.9297 37.6235 GPRESSAVG: 4112200 -15.5155 -17.1115 -42.1283 -18.8184 57.2528 39.0952 -43.7922 40.981 37.6327 TIMING: 4112200 CPU: 12845.1, 0.00311719/step Wall: 12845.1, 0.00311719/step, 0.768734 hours remaining, 234.648438 MB of memory in use. ENERGY: 4112200 4020.6797 20533.8665 14432.3040 225.5382 -202682.1282 2489.2791 0.0000 0.0000 51951.5110 -109028.9497 298.5660 -160980.4607 -108674.5959 298.9588 -265.7069 -229.7900 760951.7526 26.4608 26.4567 LDB: ============= START OF LOAD BALANCING ============== 12857.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12857.5 LDB: =============== DONE WITH MIGRATION ================ 12857.5 LDB: ============= START OF LOAD BALANCING ============== 12857.8 LDB: Largest compute 7007 load 0.029331 is 15.0% of average load 0.195141 LDB: Average compute 0.004414 is 2.3% of average load 0.195141 LDB: TIME 12857.8 LOAD: AVG 0.195141 MAX 0.217307 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.645 MB LDB: TIME 12857.8 LOAD: AVG 0.195141 MAX 0.217307 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.668 MB LDB: TIME 12857.8 LOAD: AVG 0.195141 MAX 0.217307 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.668 MB LDB: ============== END OF LOAD BALANCING =============== 12857.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12857.9 PRESSURE: 4112400 276.488 -4.97358 -22.4715 -4.97363 -1.28762 224.181 -22.4705 224.181 378.193 GPRESSURE: 4112400 336.964 -74.4687 -39.4226 48.7474 -0.422811 214.854 -43.6277 238.141 415.545 PRESSAVG: 4112400 -8.43268 -40.2753 -59.0657 -40.2753 25.6816 50.284 -59.0657 50.2841 16.3008 GPRESSAVG: 4112400 -9.61538 -41.0244 -59.5255 -37.7322 26.1223 49.7782 -59.028 49.1592 16.9237 TIMING: 4112400 CPU: 12845.7, 0.00317255/step Wall: 12845.7, 0.00317255/step, 0.78221 hours remaining, 233.546875 MB of memory in use. ENERGY: 4112400 4011.7091 20649.2202 14482.5912 240.2028 -202762.4389 2632.2270 0.0000 0.0000 52050.9760 -108695.5125 299.1377 -160746.4885 -108349.4675 300.0176 217.7975 250.6953 762409.6897 11.1832 11.1435 PRESSURE: 4112600 -199.044 -162.051 -198.775 -162.05 99.0695 183.51 -198.776 183.512 -29.2205 GPRESSURE: 4112600 -97.3372 -132.414 -249.224 -138.733 84.6214 168.98 -315.557 173.383 -55.6693 PRESSAVG: 4112600 68.3651 -6.14576 -16.2035 -6.14576 -63.7353 -28.5455 -16.2035 -28.5456 -29.1088 GPRESSAVG: 4112600 69.9777 -6.15147 -17.6053 -6.17049 -65.0741 -26.616 -16.1952 -29.2097 -29.1761 TIMING: 4112600 CPU: 12846.3, 0.00312076/step Wall: 12846.3, 0.00312076/step, 0.769268 hours remaining, 233.546875 MB of memory in use. ENERGY: 4112600 4002.2608 20715.6955 14416.5748 249.0290 -202643.7416 2487.5025 0.0000 0.0000 52108.0652 -108664.6138 299.4658 -160772.6790 -108291.0936 300.2641 -43.0649 -22.7950 764178.9598 -8.1597 -8.0908 PRESSURE: 4112800 -146.143 -54.9241 -82.0234 -54.9237 -41.8084 -285.89 -82.024 -285.891 172.711 GPRESSURE: 4112800 -107.621 -46.0132 -17.1269 -137.084 -67.7575 -390.472 -40.316 -162.767 220.959 PRESSAVG: 4112800 50.1384 -43.4819 -45.1607 -43.482 -32.697 42.6594 -45.1607 42.6594 -4.25143 GPRESSAVG: 4112800 49.8458 -42.985 -43.5776 -46.8312 -31.505 42.4019 -42.8093 43.1053 -5.48073 TIMING: 4112800 CPU: 12846.9, 0.00311193/step Wall: 12846.9, 0.00311193/step, 0.766918 hours remaining, 233.746094 MB of memory in use. ENERGY: 4112800 3919.8713 20480.8235 14510.1440 256.5609 -202881.7131 2606.0647 0.0000 0.0000 52372.4211 -108735.8277 300.9850 -161108.2487 -108366.8165 300.3847 -5.0801 15.1933 762223.8813 4.3966 4.2867 PRESSURE: 4113000 -183.763 126.855 -46.6645 126.855 -59.5591 -77.8651 -46.6641 -77.8659 -146.653 GPRESSURE: 4113000 -101.964 78.7061 -30.5222 157.073 -82.0022 -82.9866 -135.235 29.1933 -112.69 PRESSAVG: 4113000 -3.19257 -38.7119 5.02908 -38.7118 -10.1165 -11.1247 5.02902 -11.1246 -0.368881 GPRESSAVG: 4113000 -3.68739 -40.6161 3.93576 -34.7806 -10.9775 -11.099 2.35548 -10.7056 0.901505 TIMING: 4113000 CPU: 12847.6, 0.00310116/step Wall: 12847.6, 0.00310116/step, 0.764091 hours remaining, 233.746094 MB of memory in use. ENERGY: 4113000 3920.0819 20622.6516 14451.1207 264.0563 -202606.3836 2423.1489 0.0000 0.0000 52388.6886 -108536.6357 301.0785 -160925.3243 -108170.3139 300.4815 -129.9917 -98.8854 762464.8563 -4.5593 -4.5878 PRESSURE: 4113200 -149.392 -224.742 101.385 -224.741 -165.395 34.8358 101.385 34.8356 47.3553 GPRESSURE: 4113200 -94.6999 -158.356 244.64 -225.61 -120.338 96.8117 31.152 -5.27847 59.4193 PRESSAVG: 4113200 41.9174 -34.505 -10.5677 -34.505 -34.3118 -21.2418 -10.5676 -21.2418 -1.09556 GPRESSAVG: 4113200 41.797 -34.4176 -8.11923 -36.1851 -33.4669 -22.6662 -9.93198 -22.5742 -1.50221 TIMING: 4113200 CPU: 12848.2, 0.00310855/step Wall: 12848.2, 0.00310855/step, 0.765739 hours remaining, 233.746094 MB of memory in use. ENERGY: 4113200 3976.4308 20599.2147 14494.0075 253.9258 -202725.0318 2514.7026 0.0000 0.0000 52400.6586 -108486.0918 301.1473 -160886.7504 -108124.2275 300.6462 -89.1440 -51.8730 762999.4355 2.1700 2.2760 PRESSURE: 4113400 57.1409 -284.333 -23.5816 -284.333 -515.645 53.3983 -23.5835 53.3986 73.4239 GPRESSURE: 4113400 79.6776 -239.314 -16.2857 -239.94 -483.783 129.003 -45.9693 33.0377 127.21 PRESSAVG: 4113400 2.25858 -41.3841 -21.2579 -41.3841 10.6559 53.4709 -21.2579 53.471 22.2843 GPRESSAVG: 4113400 3.63733 -39.1101 -22.9346 -42.6998 9.80008 52.8047 -22.1266 52.6367 22.0145 TIMING: 4113400 CPU: 12848.8, 0.00310481/step Wall: 12848.8, 0.00310481/step, 0.764646 hours remaining, 233.746094 MB of memory in use. ENERGY: 4113400 3970.7474 20625.8268 14362.9856 255.4134 -202554.3020 2275.2004 0.0000 0.0000 52290.5216 -108773.6069 300.5143 -161064.1285 -108411.9276 300.3053 -128.3600 -92.2987 764786.0063 11.7329 11.8173 PRESSURE: 4113600 201.263 -47.112 19.5876 -47.1124 245.618 -19.7512 19.5879 -19.7521 377.575 GPRESSURE: 4113600 161.913 -18.1334 -7.39819 -96.8046 283.281 -64.9494 40.993 52.0388 467.987 PRESSAVG: 4113600 -14.2145 -48.9477 -20.5841 -48.9477 63.1909 46.1924 -20.5842 46.1923 10.6269 GPRESSAVG: 4113600 -15.8642 -52.2446 -20.3176 -46.2882 63.7808 48.3391 -21.0795 45.91 11.5401 TIMING: 4113600 CPU: 12849.4, 0.00311642/step Wall: 12849.4, 0.00311642/step, 0.767331 hours remaining, 233.746094 MB of memory in use. ENERGY: 4113600 3980.6868 20608.9966 14559.2828 246.3153 -203292.8095 3006.6457 0.0000 0.0000 52223.2897 -108667.5927 300.1280 -160890.8824 -108314.2815 300.0446 274.8189 304.3935 762666.6045 19.8677 19.8189 PRESSURE: 4113800 -79.3629 -146.955 -70.0613 -146.955 -133.326 -188.188 -70.0619 -188.187 48.6658 GPRESSURE: 4113800 -23.323 -165.795 -124.208 -209.913 -52.863 -144.601 -59.9817 -253.186 10.771 PRESSAVG: 4113800 44.3756 -35.7694 -35.629 -35.7694 -54.5064 17.2897 -35.629 17.2897 16.3899 GPRESSAVG: 4113800 45.7653 -35.2759 -35.4999 -37.8947 -53.9279 16.2224 -35.8293 19.0172 13.9975 TIMING: 4113800 CPU: 12850, 0.00312728/step Wall: 12850, 0.00312728/step, 0.769832 hours remaining, 233.746094 MB of memory in use. ENERGY: 4113800 4005.7031 20576.1755 14463.6388 250.4161 -202846.9727 2617.0635 0.0000 0.0000 52103.5806 -108830.3951 299.4400 -160933.9757 -108470.6991 300.2571 -54.6744 -21.8050 763913.9914 2.0864 1.9450 PRESSURE: 4114000 -47.4299 -145.723 25.8767 -145.723 417.744 -50.357 25.8764 -50.3562 145.364 GPRESSURE: 4114000 -58.5933 -117.761 0.591059 -213.366 421.445 29.1484 62.3212 -84.1552 240.179 PRESSAVG: 4114000 -70.831 -25.9624 -10.0744 -25.9624 50.8217 12.2212 -10.0744 12.2213 -5.23653 GPRESSAVG: 4114000 -72.1139 -24.6341 -10.4994 -23.8708 50.4834 12.0761 -7.9264 11.7947 -3.64791 TIMING: 4114000 CPU: 12850.7, 0.00312946/step Wall: 12850.7, 0.00312946/step, 0.770194 hours remaining, 233.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4114000 3924.9439 20590.2129 14525.4300 241.1786 -203203.7541 2931.9971 0.0000 0.0000 51891.4679 -109098.5235 298.2210 -160989.9915 -108737.7089 299.5629 171.8927 201.0102 762484.7513 -8.4153 -8.4262 PRESSURE: 4114200 -61.2119 -98.2741 -126.653 -98.2747 -65.7177 76.0394 -126.653 76.0382 95.4624 GPRESSURE: 4114200 16.1779 -16.2319 -152.538 -66.411 -114.452 123.453 -104.435 -49.8252 142.797 PRESSAVG: 4114200 -38.7192 5.4702 3.33758 5.47019 18.0189 11.1803 3.33761 11.1803 -2.00764 GPRESSAVG: 4114200 -38.9297 3.56015 4.5851 2.98037 17.3518 11.4328 3.5199 10.8912 -1.80188 TIMING: 4114200 CPU: 12851.3, 0.00312171/step Wall: 12851.3, 0.00312171/step, 0.768114 hours remaining, 233.746094 MB of memory in use. ENERGY: 4114200 4003.8268 20458.9944 14451.9834 247.1267 -202977.3727 2672.7637 0.0000 0.0000 52079.2716 -109063.4062 299.3003 -161142.6778 -108709.7068 299.0525 -10.4891 14.8408 762281.1567 -7.5693 -7.7933 PRESSURE: 4114400 -218.913 6.98776 92.5476 6.98739 -41.1964 -11.8978 92.5471 -11.8983 -61.6861 GPRESSURE: 4114400 -134.129 -31.8359 16.544 -77.0813 -50.4604 24.1667 110.398 -51.4627 -39.5717 PRESSAVG: 4114400 -33.8422 4.92493 41.7056 4.92496 -13.0506 26.3103 41.7056 26.3103 -2.78243 GPRESSAVG: 4114400 -34.5976 4.74761 40.0426 6.74408 -11.5232 25.1424 40.8489 25.7969 -3.05536 TIMING: 4114400 CPU: 12851.9, 0.00314956/step Wall: 12851.9, 0.00314956/step, 0.774792 hours remaining, 233.746094 MB of memory in use. ENERGY: 4114400 3996.0647 20399.0206 14513.6910 255.8360 -202872.0621 2493.0463 0.0000 0.0000 52125.7101 -109088.6933 299.5672 -161214.4034 -108724.0503 298.8506 -107.2651 -74.7204 762784.7593 -16.5584 -16.3920 PRESSURE: 4114600 -198.952 -29.0645 143.149 -29.064 -119.47 120.467 143.15 120.468 31.3989 GPRESSURE: 4114600 -171.501 -64.2709 217.967 94.5547 -80.6273 119.343 32.3992 70.3438 52.6122 PRESSAVG: 4114600 17.0701 -1.01531 51.9574 -1.01533 11.4498 48.4416 51.9574 48.4415 -16.3173 GPRESSAVG: 4114600 18.4845 -0.209533 52.7469 -0.604217 10.2088 50.0566 51.2105 46.5397 -16.4899 TIMING: 4114600 CPU: 12852.6, 0.00311913/step Wall: 12852.6, 0.00311913/step, 0.767134 hours remaining, 233.746094 MB of memory in use. ENERGY: 4114600 4007.1020 20424.0367 14408.1218 251.9330 -202652.7894 2484.6231 0.0000 0.0000 51968.1968 -109108.7760 298.6619 -161076.9728 -108754.3731 299.3064 -95.6744 -66.5054 762175.6383 4.0675 4.0678 PRESSURE: 4114800 -263.398 36.8101 92.3515 36.8107 12.8511 168.197 92.3517 168.199 -327.293 GPRESSURE: 4114800 -198.451 54.7464 61.3837 54.7589 88.6889 284.532 86.1383 132.956 -368.005 PRESSAVG: 4114800 -23.9861 -26.3703 -42.142 -26.3704 28.9294 27.2994 -42.142 27.2994 12.5553 GPRESSAVG: 4114800 -24.2538 -27.4602 -42.9461 -26.592 28.4361 26.5462 -41.3373 31.0675 13.3613 TIMING: 4114800 CPU: 12853.2, 0.00309633/step Wall: 12853.2, 0.00309633/step, 0.761353 hours remaining, 233.746094 MB of memory in use. ENERGY: 4114800 3952.7281 20538.5472 14397.5112 275.8136 -202727.2335 2391.3236 0.0000 0.0000 52304.6737 -108866.6362 300.5957 -161171.3098 -108501.1822 299.1950 -192.6133 -159.2559 764206.8177 5.8329 5.8479 PRESSURE: 4115000 377.96 198.728 1.11145 198.73 34.6095 -45.0111 1.11114 -45.0107 -261.493 GPRESSURE: 4115000 345.68 194.613 -46.0785 245.228 105.046 -66.0227 55.0961 -56.5371 -199.646 PRESSAVG: 4115000 32.4026 -3.86924 1.97313 -3.86923 4.88612 18.3488 1.97315 18.3488 -17.6273 GPRESSAVG: 4115000 32.0209 -2.41788 1.50883 -4.82737 6.14245 17.0026 3.12148 17.2732 -18.5595 TIMING: 4115000 CPU: 12853.8, 0.00312121/step Wall: 12853.8, 0.00312121/step, 0.767298 hours remaining, 233.746094 MB of memory in use. ENERGY: 4115000 4039.7762 20431.4059 14457.3517 253.4057 -203364.5835 2883.0739 0.0000 0.0000 52320.0621 -108979.5080 300.6841 -161299.5701 -108619.2082 299.8454 50.3590 83.6936 763218.7100 6.5538 6.5346 PRESSURE: 4115200 -309.581 5.08352 76.1413 5.08332 -141.122 34.7548 76.142 34.7549 89.5515 GPRESSURE: 4115200 -183.936 39.9559 115.685 64.2729 -71.7042 21.0739 20.9573 72.2374 -39.5944 PRESSAVG: 4115200 -69.8867 10.4891 9.2172 10.4891 76.18 -18.0484 9.21723 -18.0484 4.67865 GPRESSAVG: 4115200 -70.5245 11.2788 10.545 10.0502 76.5067 -15.3675 7.95504 -17.2334 4.7746 TIMING: 4115200 CPU: 12854.4, 0.00311941/step Wall: 12854.4, 0.00311941/step, 0.766681 hours remaining, 233.746094 MB of memory in use. ENERGY: 4115200 4046.4952 20414.6372 14454.8821 251.6538 -202866.4719 2558.9339 0.0000 0.0000 52254.3308 -108885.5388 300.3064 -161139.8696 -108524.6971 299.3025 -120.3838 -98.4117 764448.2448 3.6573 3.5856 PRESSURE: 4115400 -112.64 -8.70536 15.8911 -8.70357 -248.186 78.5773 15.8923 78.5781 -248.487 GPRESSURE: 4115400 -99.8673 -97.2586 -2.2026 -13.7444 -197.485 102.128 28.0354 75.4536 -209.554 PRESSAVG: 4115400 2.58585 -53.982 -11.0077 -53.9821 7.48829 26.2104 -11.0077 26.2104 8.07503 GPRESSAVG: 4115400 3.02024 -54.9088 -12.1561 -53.8324 8.6658 25.98 -11.4725 27.4649 6.9824 TIMING: 4115400 CPU: 12855, 0.00312698/step Wall: 12855, 0.00312698/step, 0.768369 hours remaining, 233.746094 MB of memory in use. ENERGY: 4115400 3991.9858 20456.7455 14494.3156 255.5099 -202894.9846 2563.5499 0.0000 0.0000 52154.2420 -108978.6358 299.7311 -161132.8779 -108614.4175 299.6527 -203.1043 -168.9687 762880.4597 6.0497 6.2228 PRESSURE: 4115600 199.262 -178.022 90.003 -178.021 497.152 -8.8898 90.0017 -8.88995 -196.589 GPRESSURE: 4115600 251.082 -77.1916 89.4894 -126.499 435.789 61.4272 151.689 -88.2781 -76.7456 PRESSAVG: 4115600 -1.56778 -46.2658 -41.8145 -46.2658 -11.0469 -25.336 -41.8145 -25.3359 1.25402 GPRESSAVG: 4115600 -0.554107 -45.2945 -41.7401 -46.7078 -12.651 -24.9259 -41.9159 -27.4539 2.09538 TIMING: 4115600 CPU: 12855.7, 0.0031294/step Wall: 12855.7, 0.0031294/step, 0.76879 hours remaining, 233.746094 MB of memory in use. ENERGY: 4115600 4029.4215 20285.8017 14552.7118 230.3483 -203139.5068 2728.4526 0.0000 0.0000 52189.6605 -109123.1104 299.9347 -161312.7710 -108765.2687 299.1828 166.6085 203.3751 762623.3111 -3.7869 -3.7032 PRESSURE: 4115800 44.9102 166.44 199.909 166.44 -29.4831 -161.157 199.91 -161.156 -61.192 GPRESSURE: 4115800 30.6408 36.3209 117.227 243.639 69.5833 -166.083 128.655 -139.135 -75.7821 PRESSAVG: 4115800 -26.5338 -36.0451 -21.9584 -36.0451 17.0721 0.757576 -21.9584 0.757585 -8.78115 GPRESSAVG: 4115800 -26.8205 -37.2319 -22.8148 -35.2981 16.9491 -0.00263893 -19.9491 1.44101 -8.30546 TIMING: 4115800 CPU: 12856.3, 0.00313613/step Wall: 12856.3, 0.00313613/step, 0.770269 hours remaining, 233.746094 MB of memory in use. ENERGY: 4115800 3959.5063 20491.6623 14470.5887 230.6734 -202984.4273 2674.7151 0.0000 0.0000 51800.4686 -109356.8129 297.6980 -161157.2815 -108995.7627 299.0469 -15.2550 8.1474 763890.5158 -6.0810 -6.0590 PRESSURE: 4116000 52.6542 -175.004 -169.203 -175.005 4.02509 -65.7483 -169.203 -65.7495 -26.4493 GPRESSURE: 4116000 124.949 -146.368 -144.817 -211.483 51.4172 -77.1767 -161.973 -182.221 -38.2228 PRESSAVG: 4116000 -7.46535 -18.0923 -4.96651 -18.0923 16.0483 -61.4602 -4.96653 -61.4603 19.6843 GPRESSAVG: 4116000 -7.6763 -17.3672 -3.33875 -20.2322 16.1599 -62.0528 -6.80833 -63.9251 20.403 TIMING: 4116000 CPU: 12856.9, 0.00311601/step Wall: 12856.9, 0.003116/step, 0.765152 hours remaining, 233.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4116000 3933.1996 20516.8454 14490.5535 239.4549 -202485.9788 2433.1145 0.0000 0.0000 51813.2934 -109059.5174 297.7717 -160872.8108 -108707.4255 298.7696 10.0767 46.0478 764872.2205 9.4224 9.6289 PRESSURE: 4116200 60.8782 -0.452136 -281.884 -0.452332 285.208 -127.339 -281.884 -127.339 3.20306 GPRESSURE: 4116200 179.099 13.5058 -193.107 -47.9332 278.795 -201.148 -156.573 38.8534 -29.5248 PRESSAVG: 4116200 3.96554 -22.2893 -5.69188 -22.2894 1.4183 -22.7578 -5.69187 -22.7579 10.8113 GPRESSAVG: 4116200 5.63972 -23.0875 -6.63616 -21.5891 1.72934 -22.6539 -5.61732 -20.1941 9.21869 TIMING: 4116200 CPU: 12857.5, 0.00311995/step Wall: 12857.5, 0.00311995/step, 0.765947 hours remaining, 233.746094 MB of memory in use. ENERGY: 4116200 4021.4610 20385.2319 14443.5124 251.6786 -203409.2622 3087.4915 0.0000 0.0000 52016.1052 -109203.7815 298.9373 -161219.8867 -108849.3016 298.4007 116.4296 142.7898 763229.4888 5.3984 5.5293 LDB: ============= START OF LOAD BALANCING ============== 12870 LDB: ============== END OF LOAD BALANCING =============== 12870 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12870 LDB: ============= START OF LOAD BALANCING ============== 12870.3 LDB: Largest compute 7060 load 0.028635 is 14.7% of average load 0.195103 LDB: Average compute 0.004424 is 2.3% of average load 0.195103 LDB: TIME 12870.3 LOAD: AVG 0.195103 MAX 0.218574 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.316 MB LDB: TIME 12870.3 LOAD: AVG 0.195103 MAX 0.218574 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.414 MB LDB: TIME 12870.3 LOAD: AVG 0.195103 MAX 0.215453 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.414 MB LDB: ============== END OF LOAD BALANCING =============== 12870.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12870.4 PRESSURE: 4116400 156.117 14.6271 271.56 14.6276 -13.3439 19.2493 271.56 19.2496 97.3906 GPRESSURE: 4116400 132.96 131.294 292.069 -22.4777 -4.08081 66.0506 234.252 -75.8479 194.143 PRESSAVG: 4116400 -27.2902 -13.4487 7.81368 -13.4487 24.0177 -45.5335 7.81368 -45.5336 5.6823 GPRESSAVG: 4116400 -28.2657 -11.9779 8.7713 -11.7753 23.8323 -45.7586 8.32347 -44.0116 6.20567 TIMING: 4116400 CPU: 12858.2, 0.00320561/step Wall: 12858.2, 0.00320561/step, 0.786799 hours remaining, 233.808594 MB of memory in use. ENERGY: 4116400 4014.7535 20439.9126 14410.7690 254.4368 -202922.5763 2637.9411 0.0000 0.0000 52161.7525 -109003.0109 299.7743 -161164.7634 -108649.0447 299.0003 80.0546 107.6739 762491.6603 0.8033 0.5907 PRESSURE: 4116600 136.595 -116.351 197.09 -116.352 112.846 -34.0906 197.09 -34.0902 -77.5666 GPRESSURE: 4116600 168.993 -192.104 276.335 -136.992 143.146 12.8735 213.424 69.1259 -53.3763 PRESSAVG: 4116600 -68.884 -24.7264 32.1982 -24.7264 63.5796 -5.61089 32.1982 -5.61088 7.82526 GPRESSAVG: 4116600 -69.4696 -26.8013 32.6139 -24.6884 63.3062 -4.51213 31.3569 -8.33983 9.25494 TIMING: 4116600 CPU: 12858.8, 0.00311863/step Wall: 12858.8, 0.00311863/step, 0.765276 hours remaining, 233.867188 MB of memory in use. ENERGY: 4116600 3943.2564 20504.7767 14468.2781 239.2145 -202897.1179 2524.0808 0.0000 0.0000 52169.4107 -109048.1008 299.8183 -161217.5115 -108687.7114 299.5105 57.2915 86.2542 762360.6524 0.8403 1.0305 PRESSURE: 4116800 -67.5792 59.2333 334.08 59.2345 40.0492 -59.4297 334.08 -59.4308 -111.983 GPRESSURE: 4116800 -17.3721 50.7284 290.479 -5.28927 49.1832 -21.7373 257.454 -79.1316 -105.863 PRESSAVG: 4116800 -24.2484 -121.74 25.7576 -121.74 10.5186 -48.2654 25.7576 -48.2654 -0.353216 GPRESSAVG: 4116800 -24.4746 -119.814 24.9667 -122.206 11.4882 -49.2532 26.0748 -46.8906 -0.639873 TIMING: 4116800 CPU: 12859.4, 0.00309875/step Wall: 12859.4, 0.00309875/step, 0.760227 hours remaining, 233.867188 MB of memory in use. ENERGY: 4116800 4025.0742 20605.6216 14436.2516 253.1743 -202719.2745 2375.6670 0.0000 0.0000 51907.9909 -109115.4949 298.3159 -161023.4858 -108749.1678 298.8076 -46.5045 -24.6840 764826.1055 -4.6943 -4.5421 PRESSURE: 4117000 -216.792 -8.78631 81.4271 -8.78616 167.456 -155.254 81.4269 -155.255 -28.9195 GPRESSURE: 4117000 -169.684 27.3891 14.3483 57.7554 149.623 -186.192 175.644 -114.84 29.6955 PRESSAVG: 4117000 -14.9419 -21.4607 44.1486 -21.4607 16.6121 -15.9734 44.1486 -15.9734 10.8776 GPRESSAVG: 4117000 -14.1295 -23.3635 44.4748 -19.6049 16.359 -16.1848 44.6412 -16.0637 10.4283 TIMING: 4117000 CPU: 12860.1, 0.00311199/step Wall: 12860.1, 0.00311199/step, 0.763301 hours remaining, 233.933594 MB of memory in use. ENERGY: 4117000 3938.6762 20569.1994 14455.4127 263.7486 -202679.4777 2486.5413 0.0000 0.0000 51886.1657 -109079.7338 298.1905 -160965.8995 -108724.3798 299.3218 -26.0853 3.2115 764895.9522 4.1826 4.2192 PRESSURE: 4117200 -65.0338 -122.772 -24.5786 -122.772 -93.9086 -13.54 -24.5775 -13.5393 -228.126 GPRESSURE: 4117200 -26.749 -114.988 -20.0341 -162.761 26.3694 -1.7029 -57.9327 -127.013 -298.784 PRESSAVG: 4117200 48.5927 -33.4923 6.14379 -33.4923 -52.0799 -33.0498 6.1439 -33.0498 6.82532 GPRESSAVG: 4117200 48.6128 -30.5339 5.84457 -37.0964 -51.7085 -31.652 5.90933 -35.3621 6.46295 TIMING: 4117200 CPU: 12860.7, 0.00311405/step Wall: 12860.7, 0.00311405/step, 0.763634 hours remaining, 233.933594 MB of memory in use. ENERGY: 4117200 3996.4581 20519.9293 14427.5341 247.4315 -202968.1041 2638.7856 0.0000 0.0000 52179.1233 -108958.8423 299.8741 -161137.9656 -108587.7180 299.5381 -129.0228 -99.7213 764272.4813 1.1127 1.1224 PRESSURE: 4117400 290.834 -187.099 99.1849 -187.099 173.507 45.8465 99.1847 45.8469 794.68 GPRESSURE: 4117400 300.982 -233.822 199.626 -133.015 227.805 -50.4532 12.946 71.226 813.804 PRESSAVG: 4117400 8.33173 -81.933 -10.8335 -81.933 -2.846 -36.4428 -10.8336 -36.4428 5.54206 GPRESSAVG: 4117400 9.03022 -84.1103 -10.1562 -80.2731 -3.05079 -37.9925 -9.67587 -31.6521 5.3939 TIMING: 4117400 CPU: 12861.3, 0.00310743/step Wall: 12861.3, 0.00310743/step, 0.761838 hours remaining, 233.933594 MB of memory in use. ENERGY: 4117400 3986.2456 20441.1751 14508.8010 260.7856 -202881.4406 2687.9283 0.0000 0.0000 52041.2622 -108955.2428 299.0818 -160996.5050 -108598.7856 299.5225 419.6737 447.5301 761841.7284 3.6759 3.7911 PRESSURE: 4117600 55.6323 141.065 -83.6503 141.065 107.129 53.3743 -83.6506 53.3743 127.804 GPRESSURE: 4117600 74.6627 53.5214 -33.169 64.502 164.059 99.0355 -65.5457 4.85376 125.251 PRESSAVG: 4117600 21.3665 -61.8097 -12.9909 -61.8096 -30.0393 -13.6477 -12.991 -13.6477 -16.2148 GPRESSAVG: 4117600 21.4523 -61.2315 -12.9135 -62.5918 -30.8078 -12.273 -14.0929 -17.9104 -15.8138 TIMING: 4117600 CPU: 12861.9, 0.00311305/step Wall: 12861.9, 0.00311305/step, 0.763043 hours remaining, 233.933594 MB of memory in use. ENERGY: 4117600 4026.2291 20447.0801 14433.7801 259.9628 -202786.9108 2606.3892 0.0000 0.0000 52179.8165 -108833.6531 299.8781 -161013.4696 -108462.9441 299.8074 96.8552 121.3240 763485.8528 -8.2959 -8.3898 PRESSURE: 4117800 88.8898 -54.1972 -312.268 -54.1973 291.915 -64.0273 -312.266 -64.0279 264.753 GPRESSURE: 4117800 109.808 -95.613 -351.254 -19.9105 290.322 -71.4026 -173.805 -19.2433 321.342 PRESSAVG: 4117800 12.4289 -42.0961 -17.2044 -42.0961 -7.21673 62.66 -17.2044 62.66 11.601 GPRESSAVG: 4117800 11.5205 -42.3439 -18.1968 -41.0417 -6.82309 63.1626 -14.3594 62.1412 12.3354 TIMING: 4117800 CPU: 12862.5, 0.00309682/step Wall: 12862.5, 0.00309682/step, 0.758893 hours remaining, 233.933594 MB of memory in use. ENERGY: 4117800 3934.9850 20539.8958 14508.1168 252.4305 -203276.8575 2783.2776 0.0000 0.0000 52166.9450 -109091.2067 299.8042 -161258.1517 -108732.8513 299.5249 215.1859 240.4906 762869.5472 5.6044 5.6776 PRESSURE: 4118000 -148.31 -49.861 -104.055 -49.8611 42.8913 319.097 -104.055 319.097 112.201 GPRESSURE: 4118000 -58.8738 -55.9976 -6.661 -127.19 8.57821 323.18 -111.953 274.914 141.89 PRESSAVG: 4118000 -55.9467 -33.7599 -3.2114 -33.7598 31.1236 20.8684 -3.21134 20.8685 -4.32428 GPRESSAVG: 4118000 -55.2466 -32.1059 -4.18002 -35.229 31.5155 21.258 -5.02461 20.8681 -5.2015 TIMING: 4118000 CPU: 12863.2, 0.00311947/step Wall: 12863.2, 0.00311947/step, 0.76427 hours remaining, 233.933594 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: 4118000 3985.4489 20409.7747 14453.3644 255.8615 -202966.4633 2577.4668 0.0000 0.0000 52044.7633 -109239.7837 299.1020 -161284.5470 -108877.9097 298.5147 2.2610 30.5315 763844.9352 -9.7158 -9.6442 PRESSURE: 4118200 62.7278 -54.8074 -28.667 -54.8087 -144.847 50.1661 -28.6664 50.1658 -432.992 GPRESSURE: 4118200 129.894 -32.2204 -15.8002 16.4618 -74.1163 20.5188 -7.56013 -23.7259 -470.102 PRESSAVG: 4118200 -40.8746 -31.1588 -10.4095 -31.1588 37.5246 34.801 -10.4095 34.801 -26.1337 GPRESSAVG: 4118200 -40.5447 -29.9478 -8.34614 -30.8709 36.4629 35.2043 -11.9599 36.305 -25.776 TIMING: 4118200 CPU: 12863.8, 0.00312422/step Wall: 12863.8, 0.00312422/step, 0.765259 hours remaining, 233.933594 MB of memory in use. ENERGY: 4118200 3882.8226 20456.5618 14455.3013 260.1409 -202792.1250 2675.5756 0.0000 0.0000 51910.7991 -109150.9238 298.3321 -161061.7229 -108798.0920 298.7760 -171.7036 -138.1081 764370.4051 -9.8279 -9.9526 PRESSURE: 4118400 46.2305 135.54 -156.202 135.541 -194.385 -22.0061 -156.202 -22.0048 1.4183 GPRESSURE: 4118400 106.141 72.4473 -114.255 144.493 -178.515 3.96367 -165.267 -23.1613 -12.202 PRESSAVG: 4118400 17.9619 -31.5106 -39.9895 -31.5105 -6.51225 14.9541 -39.9895 14.954 30.7088 GPRESSAVG: 4118400 16.9003 -33.1177 -40.1856 -30.8821 -5.45979 12.8346 -38.2775 16.9253 31.043 TIMING: 4118400 CPU: 12864.4, 0.00311071/step Wall: 12864.4, 0.00311071/step, 0.761779 hours remaining, 233.933594 MB of memory in use. ENERGY: 4118400 3965.5359 20344.6337 14441.6652 247.5022 -202648.9628 2365.7436 0.0000 0.0000 52146.7060 -109137.1762 299.6878 -161283.8822 -108776.0574 298.5118 -48.9122 -28.1921 763979.4979 14.0528 14.1612 PRESSURE: 4118600 -235.666 -153.472 -27.169 -153.473 -126.266 -31.4938 -27.1692 -31.494 12.3753 GPRESSURE: 4118600 -159.914 -81.1558 -14.5524 -105.189 -95.4799 -101.295 -84.008 -17.0225 -5.75689 PRESSAVG: 4118600 1.0889 17.928 -6.98686 17.9281 -3.24433 41.7745 -6.98685 41.7745 2.36189 GPRESSAVG: 4118600 1.03807 18.7357 -8.22597 18.1473 -3.23437 44.1459 -6.68499 40.7193 2.24235 TIMING: 4118600 CPU: 12865, 0.00311802/step Wall: 12865, 0.00311802/step, 0.763395 hours remaining, 233.933594 MB of memory in use. ENERGY: 4118600 3901.9175 20551.6665 14453.9920 260.2319 -202633.1426 2295.1295 0.0000 0.0000 52005.9722 -109164.2331 298.8790 -161170.2052 -108801.2554 298.8333 -116.5190 -87.0502 763454.5683 0.0688 0.0154 PRESSURE: 4118800 232.44 110.773 341.41 110.773 118.763 85.8152 341.411 85.8148 363.717 GPRESSURE: 4118800 189.668 63.6428 405.794 53.6555 254.69 104.353 156.5 163.573 330.319 PRESSAVG: 4118800 4.47155 3.74273 39.9982 3.74271 -34.1702 24.6254 39.9982 24.6254 -5.70217 GPRESSAVG: 4118800 4.75139 2.69238 41.2763 3.09215 -33.6165 25.0195 38.1636 22.4389 -6.21272 TIMING: 4118800 CPU: 12865.7, 0.00310981/step Wall: 12865.7, 0.00310981/step, 0.761213 hours remaining, 233.933594 MB of memory in use. ENERGY: 4118800 3994.0264 20473.2553 14471.6584 249.5592 -202983.2798 2737.1013 0.0000 0.0000 51875.2589 -109182.4203 298.1278 -161057.6791 -108828.6929 298.4742 238.3066 258.2254 764151.6147 -11.8003 -11.6926 PRESSURE: 4119000 -54.9357 9.78458 385.613 9.78416 -313.926 8.6402 385.614 8.64107 -181.14 GPRESSURE: 4119000 25.7492 -7.47751 358.296 -80.3142 -291.54 -94.2454 272.505 79.0961 -195.476 PRESSAVG: 4119000 28.2361 11.0872 -15.3656 11.0872 1.03959 -12.5785 -15.3655 -12.5784 -1.7579 GPRESSAVG: 4119000 28.7027 10.4703 -15.3922 10.7196 1.03343 -14.7241 -13.8591 -10.9126 -1.54526 TIMING: 4119000 CPU: 12866.3, 0.0031198/step Wall: 12866.3, 0.0031198/step, 0.763484 hours remaining, 233.933594 MB of memory in use. ENERGY: 4119000 3911.5477 20340.4635 14567.2524 250.1202 -202923.3081 2519.0221 0.0000 0.0000 51844.1897 -109490.7125 297.9493 -161334.9022 -109122.5154 298.2180 -183.3340 -153.7558 762871.2850 9.1726 9.3970 PRESSURE: 4119200 -31.2626 31.7187 134.142 31.7195 -409.743 29.6032 134.143 29.6031 78.9193 GPRESSURE: 4119200 -56.3416 -1.11945 105.434 107.365 -332.242 -11.0223 51.1687 -128.733 113.4 PRESSAVG: 4119200 -12.3915 58.2148 -24.0103 58.2148 -19.0332 30.0913 -24.0102 30.0913 -7.32885 GPRESSAVG: 4119200 -13.3284 55.959 -25.7642 60.2981 -19.0005 30.9726 -23.8495 26.8795 -6.54534 TIMING: 4119200 CPU: 12866.9, 0.0031147/step Wall: 12866.9, 0.0031147/step, 0.762063 hours remaining, 233.933594 MB of memory in use. ENERGY: 4119200 3895.3519 20374.4609 14517.2005 247.6538 -203258.5090 2705.1708 0.0000 0.0000 51969.2032 -109549.4680 298.6677 -161518.6712 -109181.5765 297.9692 -120.6956 -91.7280 763984.1861 -12.9178 -12.9581 PRESSURE: 4119400 287.687 71.8367 13.247 71.8367 -166.651 52.221 13.2471 52.2201 85.0153 GPRESSURE: 4119400 239.572 161.636 -5.78992 -15.3536 -82.3943 52.8004 87.8825 129.386 131.921 PRESSAVG: 4119400 -19.2665 -16.4192 -4.96224 -16.4192 3.35322 -16.4082 -4.96225 -16.4082 4.79222 GPRESSAVG: 4119400 -18.5536 -14.1232 -4.47642 -16.4872 2.32515 -17.2297 -5.53202 -12.6756 4.80815 TIMING: 4119400 CPU: 12867.5, 0.00312589/step Wall: 12867.5, 0.00312589/step, 0.764628 hours remaining, 233.933594 MB of memory in use. ENERGY: 4119400 3935.6919 20287.7920 14482.8997 246.1846 -202832.0042 2544.7096 0.0000 0.0000 51764.4573 -109570.2692 297.4910 -161334.7265 -109215.6411 298.4173 68.6839 96.3664 763009.1732 -3.7070 -3.8068 PRESSURE: 4119600 -266.033 -157.258 3.89236 -157.258 319.957 -87.016 3.89158 -87.0145 216.746 GPRESSURE: 4119600 -265.775 -61.6718 -33.7098 -33.9661 439.679 -110.218 7.94119 -20.2991 182.206 PRESSAVG: 4119600 -2.08595 -1.31484 -7.50069 -1.31477 4.81735 20.1138 -7.50071 20.1138 3.24387 GPRESSAVG: 4119600 -2.17878 1.17067 -6.66382 -2.02173 4.47782 20.172 -5.99237 20.1076 3.87758 TIMING: 4119600 CPU: 12868.2, 0.0031358/step Wall: 12868.2, 0.0031358/step, 0.766877 hours remaining, 233.933594 MB of memory in use. ENERGY: 4119600 3877.9650 20619.3634 14446.8545 235.7478 -203218.6200 2748.6323 0.0000 0.0000 51801.4265 -109488.6304 297.7035 -161290.0569 -109132.0615 298.4544 90.2236 118.7034 761489.7986 1.9918 2.0589 PRESSURE: 4119800 -181.065 33.9706 -122.274 33.9705 -429.806 -82.6246 -122.275 -82.6243 -491.384 GPRESSURE: 4119800 -85.1484 -62.3737 -150.077 -95.336 -453.443 -152.698 -248.664 -83.1904 -495.562 PRESSAVG: 4119800 8.37883 22.7906 -4.38145 22.7906 -65.2707 35.791 -4.38143 35.791 14.9131 GPRESSAVG: 4119800 9.41754 18.8165 -4.45851 24.1857 -65.4254 34.4646 -6.80833 35.6097 13.7173 TIMING: 4119800 CPU: 12868.8, 0.00312566/step Wall: 12868.8, 0.00312566/step, 0.764223 hours remaining, 233.933594 MB of memory in use. ENERGY: 4119800 3975.2733 20468.7990 14493.3976 264.9610 -202890.9199 2303.6366 0.0000 0.0000 51891.8334 -109493.0188 298.2231 -161384.8522 -109133.2279 298.2763 -367.4183 -344.7178 764051.4094 -13.9929 -14.0969 PRESSURE: 4120000 -105.961 28.5727 116.78 28.573 -419.26 244.322 116.78 244.323 -464.33 GPRESSURE: 4120000 -45.8084 -30.7017 121.167 69.8771 -380.54 259.156 20.6239 87.5324 -486.788 PRESSAVG: 4120000 7.61428 0.848708 1.57691 0.848677 -59.3647 22.8274 1.57684 22.8274 -1.12708 GPRESSAVG: 4120000 5.84563 1.66364 1.19122 -0.861935 -57.7411 23.7862 1.88193 22.8634 -0.87277 TIMING: 4120000 CPU: 12869.4, 0.00311843/step Wall: 12869.4, 0.00311843/step, 0.762282 hours remaining, 233.933594 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: 4120000 4053.9708 20499.5637 14485.6790 242.3810 -203314.8623 2773.5888 0.0000 0.0000 52023.9568 -109235.7223 298.9824 -161259.6791 -108874.3253 298.4552 -329.8506 -304.3787 763605.7634 -17.6258 -17.5894 PRESSURE: 4120200 29.7842 -272.041 7.33938 -272.041 9.36757 263.153 7.34028 263.153 -111.626 GPRESSURE: 4120200 21.8109 -193.632 -10.3239 -261.464 92.8083 162.39 66.9662 270.49 -109.545 PRESSAVG: 4120200 -17.5707 -28.4749 42.3423 -28.4749 21.7175 -10.7785 42.3423 -10.7785 -7.3167 GPRESSAVG: 4120200 -16.6133 -25.8852 40.8335 -31.2605 21.9622 -10.4013 44.4736 -8.04787 -8.35688 TIMING: 4120200 CPU: 12870, 0.00311362/step Wall: 12870, 0.00311362/step, 0.760933 hours remaining, 233.933594 MB of memory in use. ENERGY: 4120200 3962.7395 20444.7093 14483.6804 244.2971 -202865.9574 2566.5405 0.0000 0.0000 51801.3338 -109362.6567 297.7030 -161163.9905 -109002.4348 298.6306 -24.1581 1.6916 764479.5605 -1.0566 -1.0027 LDB: ============= START OF LOAD BALANCING ============== 12882.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12882.5 LDB: =============== DONE WITH MIGRATION ================ 12882.5 LDB: ============= START OF LOAD BALANCING ============== 12882.8 LDB: Largest compute 7027 load 0.028947 is 14.8% of average load 0.195256 LDB: Average compute 0.004409 is 2.3% of average load 0.195256 LDB: TIME 12882.8 LOAD: AVG 0.195256 MAX 0.218748 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.773 MB LDB: TIME 12882.8 LOAD: AVG 0.195256 MAX 0.218748 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.773 MB LDB: TIME 12882.8 LOAD: AVG 0.195256 MAX 0.217103 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.773 MB LDB: ============== END OF LOAD BALANCING =============== 12882.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12882.8 PRESSURE: 4120400 2.6801 6.47583 -346.075 6.47599 23.0084 136.799 -346.074 136.798 -41.3632 GPRESSURE: 4120400 43.707 33.3899 -357.963 -40.6305 26.2131 112.764 -219.981 194.955 -5.80747 PRESSAVG: 4120400 1.12978 -7.07006 -10.4147 -7.07007 -10.0718 75.4537 -10.4147 75.4537 -10.299 GPRESSAVG: 4120400 0.310403 -8.48512 -10.1219 -4.80346 -10.4889 74.9505 -10.9409 74.7657 -8.80408 TIMING: 4120400 CPU: 12870.7, 0.00319169/step Wall: 12870.7, 0.00319169/step, 0.779835 hours remaining, 235.734375 MB of memory in use. ENERGY: 4120400 3962.7424 20475.9691 14458.0251 229.6156 -202978.3361 2604.0955 0.0000 0.0000 52059.8310 -109188.0574 299.1886 -161247.8884 -108821.4908 298.8845 -5.2249 21.3709 763272.5301 -6.4137 -6.3275 PRESSURE: 4120600 276.199 -255.238 -58.4407 -255.237 -203.019 -139.83 -58.4398 -139.831 -180.853 GPRESSURE: 4120600 228.371 -331.794 -48.784 -274.547 -44.9895 -108.959 -152.06 -143.6 -198.312 PRESSAVG: 4120600 1.53552 -13.6444 -56.6675 -13.6444 -3.04087 80.2575 -56.6676 80.2576 -14.0864 GPRESSAVG: 4120600 3.51671 -15.5498 -54.9346 -14.025 -4.00514 81.754 -56.8581 80.615 -14.7137 TIMING: 4120600 CPU: 12871.3, 0.00312661/step Wall: 12871.3, 0.00312661/step, 0.76376 hours remaining, 235.937500 MB of memory in use. ENERGY: 4120600 3973.4934 20407.9809 14472.3303 245.8360 -202912.0929 2611.5291 0.0000 0.0000 51979.6421 -109221.2810 298.7277 -161200.9231 -108864.1845 299.0705 -35.8911 -4.9768 762580.8534 -5.1973 -5.0674 PRESSURE: 4120800 -225.284 284.393 226.586 284.394 -37.2864 185.753 226.585 185.754 -340.678 GPRESSURE: 4120800 -308.641 250.912 221.557 248.072 89.494 175.405 189.626 287.622 -274.738 PRESSAVG: 4120800 17.5018 -41.5884 -15.7404 -41.5884 -9.84885 -12.288 -15.7404 -12.288 -24.7105 GPRESSAVG: 4120800 15.7804 -38.0197 -17.3427 -41.5414 -8.49028 -13.2811 -15.3169 -12.626 -23.8857 TIMING: 4120800 CPU: 12871.9, 0.00311887/step Wall: 12871.9, 0.00311887/step, 0.761698 hours remaining, 236.066406 MB of memory in use. ENERGY: 4120800 3956.2419 20542.9717 14428.7336 236.2220 -202724.0861 2377.6076 0.0000 0.0000 51903.3919 -109278.9175 298.2895 -161182.3094 -108904.5423 298.5434 -201.0828 -164.6285 762271.2849 -5.6859 -5.5319 PRESSURE: 4121000 -298.292 -170.165 276.895 -170.166 -279.527 39.4026 276.895 39.4024 -4.75875 GPRESSURE: 4121000 -362.195 -165.013 219.406 -129.255 -163.442 -1.41025 189.033 -40.8048 15.9673 PRESSAVG: 4121000 -62.1782 -14.1225 6.42323 -14.1225 69.2913 1.12844 6.42322 1.12838 4.92343 GPRESSAVG: 4121000 -62.1233 -14.8848 5.86774 -14.3166 69.1551 2.8916 4.48493 -0.81277 4.41126 TIMING: 4121000 CPU: 12872.5, 0.0031263/step Wall: 12872.5, 0.0031263/step, 0.763339 hours remaining, 236.132812 MB of memory in use. ENERGY: 4121000 3986.6158 20685.2489 14440.9913 241.2964 -202739.0457 2294.5625 0.0000 0.0000 51973.5308 -109116.8000 298.6926 -161090.3307 -108763.3305 299.1208 -194.1927 -169.8900 762493.4176 4.0122 3.8144 PRESSURE: 4121200 130.477 330.193 129.133 330.193 82.8497 256.375 129.133 256.374 198.568 GPRESSURE: 4121200 107.615 264.857 157.239 238.213 197.479 228.952 92.0163 184.222 197.005 PRESSAVG: 4121200 -46.6301 -16.6801 21.2223 -16.6801 79.6368 30.2713 21.2223 30.2713 -28.9594 GPRESSAVG: 4121200 -46.9143 -18.1093 22.7274 -16.2338 79.7276 28.8308 20.344 31.6019 -28.3462 TIMING: 4121200 CPU: 12873.2, 0.00312998/step Wall: 12873.2, 0.00312998/step, 0.764063 hours remaining, 236.132812 MB of memory in use. ENERGY: 4121200 3968.5754 20446.6506 14414.9801 235.1887 -203029.4529 2640.4812 0.0000 0.0000 52177.8577 -109145.7193 299.8669 -161323.5769 -108789.3788 299.3000 137.2985 167.3664 761879.4986 1.3491 1.4890 PRESSURE: 4121400 -93.1659 175.955 -78.157 175.955 -45.5617 63.7017 -78.1571 63.7026 9.43995 GPRESSURE: 4121400 -43.7813 185.483 -82.4791 199.155 -8.56928 34.6074 33.2778 16.4015 -6.8522 PRESSAVG: 4121400 -111.778 -2.96095 -34.0555 -2.96101 97.7458 26.4209 -34.0556 26.4208 13.6271 GPRESSAVG: 4121400 -110.211 -4.39425 -34.1823 -3.20536 97.6733 27.5247 -32.8468 24.6019 12.5619 TIMING: 4121400 CPU: 12873.8, 0.00310719/step Wall: 12873.8, 0.00310719/step, 0.758327 hours remaining, 236.132812 MB of memory in use. ENERGY: 4121400 3934.9955 20442.3962 14488.4601 251.0994 -202395.9407 2166.3718 0.0000 0.0000 52100.0081 -109012.6096 299.4195 -161112.6177 -108656.4823 299.1239 -43.0959 -19.7343 762167.7499 -0.1351 0.0079 PRESSURE: 4121600 0.01376 -35.8989 95.0521 -35.8998 -7.85478 116.365 95.0518 116.365 20.43 GPRESSURE: 4121600 -1.67072 -60.2417 68.7013 -61.6099 60.484 118.319 159.871 49.4424 29.8193 PRESSAVG: 4121600 -28.6213 -22.6707 1.22912 -22.6707 4.9191 27.1378 1.22914 27.1377 18.8473 GPRESSAVG: 4121600 -29.4146 -20.1673 0.566559 -22.3246 5.52199 24.966 4.10046 29.5967 19.6185 TIMING: 4121600 CPU: 12874.4, 0.00312624/step Wall: 12874.4, 0.00312624/step, 0.762802 hours remaining, 236.132812 MB of memory in use. ENERGY: 4121600 4004.9011 20392.6625 14505.1887 243.9015 -202789.4845 2324.7991 0.0000 0.0000 52339.6514 -108978.3803 300.7967 -161318.0317 -108613.5794 299.8830 4.1963 29.5442 762749.9723 -1.6183 -1.4247 PRESSURE: 4121800 -190.624 -96.5595 16.1627 -96.5587 -534.978 97.8846 16.1626 97.8842 -374.692 GPRESSURE: 4121800 -171.17 -125.212 -40.8956 -150.848 -516.907 78.1669 -3.32889 43.3717 -335.476 PRESSAVG: 4121800 -46.1535 22.3973 6.18785 22.3974 11.0216 56.1721 6.18785 56.1722 -19.9222 GPRESSAVG: 4121800 -45.4365 20.0227 7.17426 23.1394 9.24636 56.916 5.4552 55.5971 -18.8637 TIMING: 4121800 CPU: 12875, 0.00313313/step Wall: 12875, 0.00313313/step, 0.764311 hours remaining, 236.144531 MB of memory in use. ENERGY: 4121800 4017.2547 20512.9706 14438.0691 232.9065 -202200.5422 2078.8670 0.0000 0.0000 52036.3218 -108884.1526 299.0535 -160920.4743 -108528.9230 299.7259 -366.7646 -341.1845 764398.7170 -18.3513 -18.3513 PRESSURE: 4122000 -59.9131 -47.2256 66.8844 -47.2253 61.5293 -14.6799 66.8845 -14.6794 178.941 GPRESSURE: 4122000 -52.4733 -38.3 89.2929 46.2028 79.2187 5.9599 138.691 -50.4903 235.15 PRESSAVG: 4122000 -39.4624 43.9923 28.9999 43.9924 64.0586 -48.0065 28.9998 -48.0064 -4.76041 GPRESSAVG: 4122000 -39.8704 44.8479 28.9422 41.4216 65.0144 -47.5875 28.161 -48.2522 -5.40194 TIMING: 4122000 CPU: 12875.7, 0.00311535/step Wall: 12875.7, 0.00311535/step, 0.759798 hours remaining, 236.144531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4122000 3929.9386 20489.1692 14502.4774 264.8665 -202674.6759 2246.7468 0.0000 0.0000 52370.7056 -108870.7717 300.9752 -161241.4773 -108493.4883 300.0062 60.1858 87.2984 762361.3334 6.6119 6.5807 PRESSURE: 4122200 -179.5 -8.81205 225.686 -8.81171 -362.569 144.296 225.687 144.296 -123.737 GPRESSURE: 4122200 -60.4237 55.1514 169.956 85.9256 -299.964 80.1772 268.527 141.301 -215.152 PRESSAVG: 4122200 20.5149 -12.7278 -19.4463 -12.7278 41.2992 -6.15794 -19.4462 -6.15797 -20.7877 GPRESSAVG: 4122200 20.9143 -11.3431 -19.442 -9.28948 42.4895 -5.39883 -19.8256 -4.96719 -21.267 TIMING: 4122200 CPU: 12876.3, 0.00313014/step Wall: 12876.3, 0.00313014/step, 0.763232 hours remaining, 236.144531 MB of memory in use. ENERGY: 4122200 3999.2995 20556.0325 14537.3877 236.1815 -203021.2983 2537.3297 0.0000 0.0000 52221.5595 -108933.5079 300.1180 -161155.0674 -108567.9209 299.9084 -221.9356 -191.8466 763448.4153 13.6755 14.0456 PRESSURE: 4122400 180.119 207.355 -84.0039 207.355 227.949 123.091 -84.0044 123.092 138.558 GPRESSURE: 4122400 157.319 132.302 -24.8818 102.343 266.98 68.6561 -129.78 115.885 214.149 PRESSAVG: 4122400 -20.1415 25.1284 15.6127 25.1284 31.634 3.03221 15.6127 3.03216 -16.5135 GPRESSAVG: 4122400 -19.5517 25.9263 15.6321 22.5186 31.068 1.87191 13.9168 3.96991 -16.5551 TIMING: 4122400 CPU: 12876.9, 0.00312222/step Wall: 12876.9, 0.00312222/step, 0.761129 hours remaining, 236.144531 MB of memory in use. ENERGY: 4122400 3970.3375 20650.4943 14447.3782 238.7848 -202903.6621 2582.7316 0.0000 0.0000 52217.5675 -108796.3682 300.0951 -161013.9357 -108426.7833 299.7681 182.2085 212.8160 763000.5955 -1.6736 -1.6796 PRESSURE: 4122600 -127.147 -117.771 200.68 -117.771 -313.194 197.267 200.681 197.268 214.498 GPRESSURE: 4122600 -77.8828 -161.166 218.758 -139.465 -240.572 118.631 120.465 59.5428 191.224 PRESSAVG: 4122600 -48.3897 32.6453 37.656 32.6452 55.0828 35.4372 37.656 35.4371 9.81161 GPRESSAVG: 4122600 -49.7457 31.6442 37.5892 31.6159 57.0584 36.0661 38.0467 32.9143 8.92758 TIMING: 4122600 CPU: 12877.5, 0.00311612/step Wall: 12877.5, 0.00311612/step, 0.759467 hours remaining, 236.144531 MB of memory in use. ENERGY: 4122600 3898.2501 20414.9158 14450.2000 275.4982 -202906.7611 2630.1014 0.0000 0.0000 52317.2618 -108920.5339 300.6680 -161237.7957 -108556.4060 299.6989 -75.2808 -42.4104 762972.9776 5.5016 5.4134 PRESSURE: 4122800 -279.951 -0.722409 -80.6578 -0.722879 -304.112 -39.4944 -80.6579 -39.4941 530.587 GPRESSURE: 4122800 -133.5 -85.6359 -155.882 62.6624 -311.999 -0.445032 -127.276 -0.999694 492.219 PRESSAVG: 4122800 1.25974 -14.2937 43.3085 -14.2937 13.7816 -32.4019 43.3085 -32.4018 -9.37118 GPRESSAVG: 4122800 2.5279 -14.7291 42.3727 -13.4567 12.2004 -32.0462 44.8443 -31.4558 -9.90603 TIMING: 4122800 CPU: 12878.2, 0.00313006/step Wall: 12878.2, 0.00313006/step, 0.762692 hours remaining, 236.144531 MB of memory in use. ENERGY: 4122800 3874.9810 20614.9960 14503.6308 255.2676 -202727.0780 2516.3479 0.0000 0.0000 51982.2866 -108979.5681 298.7429 -160961.8547 -108621.9599 299.8398 -17.8251 15.5732 765242.2343 1.8901 1.6074 PRESSURE: 4123000 -145.409 -298.141 -112.165 -298.142 41.7219 21.7133 -112.164 21.7146 -353.15 GPRESSURE: 4123000 -186.991 -260.431 -7.6855 -302.325 89.4386 55.8285 -92.8704 -90.353 -287.862 PRESSAVG: 4123000 -52.1146 -13.0455 -7.66547 -13.0455 30.8279 3.37872 -7.66542 3.37874 17.8424 GPRESSAVG: 4123000 -53.1663 -13.1181 -7.87282 -11.4351 30.1023 1.81138 -8.06972 2.71731 20.022 TIMING: 4123000 CPU: 12878.8, 0.00311308/step Wall: 12878.8, 0.00311308/step, 0.758382 hours remaining, 236.144531 MB of memory in use. ENERGY: 4123000 3983.3912 20650.2983 14494.6758 228.3900 -202828.8958 2361.2204 0.0000 0.0000 51997.8078 -109113.1123 298.8321 -161110.9201 -108752.3511 299.6085 -152.2792 -128.4713 762261.3725 -1.1481 -1.0140 PRESSURE: 4123200 -265.969 -30.8226 89.9724 -30.8232 -194.629 -87.544 89.9719 -87.5425 -199.17 GPRESSURE: 4123200 -202.148 -140.047 22.6267 53.2251 -243.054 27.5466 70.9196 -8.68868 -140.449 PRESSAVG: 4123200 -63.6578 1.2224 -28.1036 1.22246 46.6673 -24.1002 -28.1036 -24.1003 16.2677 GPRESSAVG: 4123200 -63.1945 -0.867342 -29.9283 0.729407 46.8257 -20.3201 -26.7592 -23.3212 15.6622 TIMING: 4123200 CPU: 12879.4, 0.00312281/step Wall: 12879.4, 0.00312281/step, 0.760578 hours remaining, 236.144531 MB of memory in use. ENERGY: 4123200 3909.6337 20482.6654 14452.5142 257.4338 -202448.1813 2184.3939 0.0000 0.0000 51995.4121 -109166.1281 298.8183 -161161.5402 -108803.2935 299.1577 -219.9225 -195.2168 764367.0829 -0.2409 -0.2356 PRESSURE: 4123400 -130.75 -71.3878 81.2899 -71.3884 15.8325 3.2473 81.2898 3.24813 -59.4742 GPRESSURE: 4123400 -146.481 -54.4801 32.1777 -67.8987 79.7345 -74.8553 125.32 12.1192 -29.2725 PRESSAVG: 4123400 13.3023 -18.1582 -14.036 -18.1582 -36.6596 -10.3464 -14.0359 -10.3463 -5.33504 GPRESSAVG: 4123400 13.6608 -18.2771 -14.2111 -17.4219 -37.5777 -13.1168 -13.9459 -9.73201 -4.76633 TIMING: 4123400 CPU: 12880, 0.00311864/step Wall: 12880, 0.00311864/step, 0.75939 hours remaining, 236.144531 MB of memory in use. ENERGY: 4123400 3989.9005 20584.3279 14432.0604 232.3972 -202853.8906 2577.9127 0.0000 0.0000 52035.1962 -109002.0957 299.0470 -161037.2918 -108648.5535 299.1686 -58.1306 -32.0064 764417.2697 -9.5641 -9.5611 PRESSURE: 4123600 -307.103 37.7393 -64.8996 37.7391 136.26 -513.735 -64.9005 -513.735 24.1367 GPRESSURE: 4123600 -272.509 14.0488 -57.9991 -58.2394 223.692 -492.681 -95.5596 -500.702 -34.4225 PRESSAVG: 4123600 -43.1898 16.399 30.934 16.3989 27.462 -36.3141 30.9341 -36.3141 16.0481 GPRESSAVG: 4123600 -44.0743 19.0631 32.1462 15.7829 29.1596 -34.8498 31.0313 -35.7777 14.8901 TIMING: 4123600 CPU: 12880.7, 0.00311832/step Wall: 12880.7, 0.00311832/step, 0.759137 hours remaining, 236.144531 MB of memory in use. ENERGY: 4123600 3914.2638 20510.0604 14343.1969 254.6008 -202609.8407 2361.9492 0.0000 0.0000 52463.8182 -108761.9515 301.5103 -161225.7697 -108397.4730 299.7011 -48.9021 -27.7465 763627.3977 0.1068 -0.0082 PRESSURE: 4123800 -324.078 -49.2443 168.608 -49.2441 -106.789 -127.023 168.608 -127.022 -169.66 GPRESSURE: 4123800 -208.748 -41.372 143.657 -128.557 -153.302 -144.534 183.28 -109.652 -170.232 PRESSAVG: 4123800 -4.85046 -28.075 11.8823 -28.075 16.916 -32.3054 11.8824 -32.3055 0.748386 GPRESSAVG: 4123800 -4.19207 -27.4606 13.6918 -29.9203 16.5621 -33.518 9.76776 -34.0853 0.179643 TIMING: 4123800 CPU: 12881.3, 0.00311319/step Wall: 12881.3, 0.00311319/step, 0.757715 hours remaining, 236.144531 MB of memory in use. ENERGY: 4123800 3976.9080 20572.3392 14473.9961 245.1567 -202677.8144 2289.8780 0.0000 0.0000 52260.1821 -108859.3543 300.3400 -161119.5364 -108499.2892 300.0004 -200.1756 -177.4276 762790.7055 4.2713 4.1832 PRESSURE: 4124000 346.026 25.69 -155.193 25.69 432.621 293.591 -155.193 293.591 5.46663 GPRESSURE: 4124000 450.718 3.0605 -171.035 59.8103 318.644 281.357 -52.7241 319.564 109.445 PRESSAVG: 4124000 1.09405 12.0884 24.8986 12.0884 -16.7999 7.45667 24.8985 7.45655 28.8645 GPRESSAVG: 4124000 1.17203 9.28274 24.4579 11.7856 -17.3319 7.54232 26.3705 8.95192 29.3139 TIMING: 4124000 CPU: 12881.9, 0.00309471/step Wall: 12881.9, 0.00309471/step, 0.753047 hours remaining, 236.144531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4124000 4018.8483 20602.7087 14439.6584 256.1297 -202869.4715 2793.5035 0.0000 0.0000 52018.6497 -108739.9733 298.9519 -160758.6231 -108389.2335 299.5720 261.3712 292.9356 765192.5578 4.3862 4.3847 PRESSURE: 4124200 10.4251 -71.2525 202.838 -71.2528 -292.355 -143.586 202.838 -143.586 260.836 GPRESSURE: 4124200 23.9168 -150.349 192.085 13.0041 -157.382 -140.784 165.469 -169.187 190.261 PRESSAVG: 4124200 17.5756 -30.3627 44.0136 -30.3627 16.2341 -28.9753 44.0136 -28.9753 -8.19522 GPRESSAVG: 4124200 18.5856 -29.9565 44.4912 -28.1577 14.8886 -27.5866 43.5384 -31.6265 -7.81247 TIMING: 4124200 CPU: 12882.5, 0.00310259/step Wall: 12882.5, 0.00310259/step, 0.754791 hours remaining, 236.144531 MB of memory in use. ENERGY: 4124200 4015.4711 20516.7958 14449.0214 248.3329 -202909.5481 2670.6133 0.0000 0.0000 52370.8679 -108638.4458 300.9761 -161009.3137 -108280.2065 300.1926 -7.0314 18.9320 765052.6907 8.5381 8.5539 LDB: ============= START OF LOAD BALANCING ============== 12895 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12895 LDB: =============== DONE WITH MIGRATION ================ 12895 LDB: ============= START OF LOAD BALANCING ============== 12895.3 LDB: Largest compute 7050 load 0.027793 is 14.2% of average load 0.195285 LDB: Average compute 0.004427 is 2.3% of average load 0.195285 LDB: TIME 12895.3 LOAD: AVG 0.195285 MAX 0.215067 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.031 MB LDB: TIME 12895.3 LOAD: AVG 0.195285 MAX 0.215067 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.238 MB LDB: TIME 12895.3 LOAD: AVG 0.195285 MAX 0.215067 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.238 MB LDB: ============== END OF LOAD BALANCING =============== 12895.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12895.3 PRESSURE: 4124400 -383.445 47.5378 177.039 47.5381 -431.467 103.874 177.04 103.874 -459.033 GPRESSURE: 4124400 -307.926 -49.6421 155.114 -30.1893 -420.426 77.6733 154.788 89.2059 -469.614 PRESSAVG: 4124400 -10.6638 -36.3425 25.7285 -36.3425 0.97745 19.0494 25.7285 19.0493 5.71009 GPRESSAVG: 4124400 -11.5763 -34.971 25.2034 -37.3337 1.25361 16.8554 24.7149 21.9252 6.31026 TIMING: 4124400 CPU: 12883.2, 0.00317808/step Wall: 12883.2, 0.00317807/step, 0.772978 hours remaining, 234.320312 MB of memory in use. ENERGY: 4124400 4078.4018 20547.0813 14418.1274 255.7615 -202515.9981 2346.0726 0.0000 0.0000 52172.8813 -108697.6722 299.8383 -160870.5535 -108342.5107 299.9228 -424.6480 -399.3220 765683.4989 -1.3254 -1.3375 PRESSURE: 4124600 -12.6537 100.082 -165.505 100.081 69.5473 -52.0404 -165.506 -52.041 192.023 GPRESSURE: 4124600 67.0713 139.686 -140.611 7.03022 112.018 -68.0336 -0.822069 -44.1601 163.285 PRESSAVG: 4124600 54.2565 -13.5965 -12.6439 -13.5965 -25.0461 -26.5716 -12.6439 -26.5716 10.4618 GPRESSAVG: 4124600 53.7263 -12.9312 -14.2704 -15.0109 -23.8955 -26.4909 -9.59426 -25.871 9.59608 TIMING: 4124600 CPU: 12883.8, 0.00311617/step Wall: 12883.8, 0.00311617/step, 0.757748 hours remaining, 234.320312 MB of memory in use. ENERGY: 4124600 4043.6260 20527.5371 14496.2529 248.5066 -202898.5878 2621.1399 0.0000 0.0000 52054.3360 -108907.1894 299.1570 -160961.5253 -108541.0760 299.5325 82.9721 114.1247 763948.0594 13.2241 13.1423 PRESSURE: 4124800 17.8094 -259.419 159.092 -259.42 -37.5993 104.266 159.092 104.265 -426.386 GPRESSURE: 4124800 10.0718 -214.195 181.429 -209.373 92.0184 67.7414 69.6066 6.50842 -474.949 PRESSAVG: 4124800 7.16273 -21.5691 -15.7339 -21.5691 -54.2408 -43.9806 -15.7339 -43.9806 -9.47094 GPRESSAVG: 4124800 7.31596 -20.8524 -15.129 -20.1407 -55.2326 -44.7234 -17.8695 -44.3511 -9.26117 TIMING: 4124800 CPU: 12884.4, 0.00313836/step Wall: 12884.4, 0.00313836/step, 0.76297 hours remaining, 234.320312 MB of memory in use. ENERGY: 4124800 3998.6347 20637.2061 14427.8752 252.1036 -202956.9501 2577.2702 0.0000 0.0000 52053.8374 -109010.0228 299.1541 -161063.8602 -108654.8626 299.4671 -148.7253 -124.2864 763392.8502 -18.8497 -19.0593 PRESSURE: 4125000 -311.697 -59.465 74.7791 -59.4648 -263.275 -92.2625 74.7786 -92.2627 -256.973 GPRESSURE: 4125000 -201.405 -83.2401 -36.3143 80.6612 -272.582 -20.1259 90.8888 -59.6788 -267.14 PRESSAVG: 4125000 39.7896 -7.21847 55.4114 -7.21849 -7.93768 -58.6019 55.4114 -58.6019 4.99733 GPRESSAVG: 4125000 40.7194 -9.61052 54.3214 -7.45737 -8.18037 -55.7874 56.5252 -60.267 4.60113 TIMING: 4125000 CPU: 12885, 0.00314954/step Wall: 12885, 0.00314954/step, 0.765514 hours remaining, 234.320312 MB of memory in use. ENERGY: 4125000 3972.4287 20306.0471 14442.4470 245.8563 -202796.2578 2403.7454 0.0000 0.0000 52134.7293 -109291.0041 299.6190 -161425.7333 -108913.0159 299.0244 -277.3149 -247.0421 763370.0630 12.2831 12.3800 PRESSURE: 4125200 143.996 72.1483 91.2228 72.1476 -144.471 -245.218 91.2233 -245.218 -51.0064 GPRESSURE: 4125200 166.389 97.9264 147.543 40.6978 -29.0679 -264.705 30.9111 -85.8817 -81.0026 PRESSAVG: 4125200 -21.3544 -72.3849 15.2096 -72.3848 12.5707 1.13096 15.2096 1.13089 1.80541 GPRESSAVG: 4125200 -21.4012 -72.8764 15.3098 -71.1641 13.7748 0.778486 15.5116 1.62018 0.886186 TIMING: 4125200 CPU: 12885.7, 0.00312465/step Wall: 12885.7, 0.00312465/step, 0.759291 hours remaining, 234.320312 MB of memory in use. ENERGY: 4125200 3943.8274 20448.2412 14462.5568 259.0125 -202817.0409 2382.9543 0.0000 0.0000 52088.4001 -109232.0486 299.3528 -161320.4487 -108861.5134 298.9377 -17.1603 18.7727 763017.9406 -2.3261 -2.2467 PRESSURE: 4125400 281.161 27.7728 -270.076 27.7729 -252.885 208.131 -270.076 208.131 -179.542 GPRESSURE: 4125400 277.8 -14.6223 -304.126 35.3506 -113.038 229.861 -270.033 164.296 -227.817 PRESSAVG: 4125400 44.6523 -51.8595 -16.7311 -51.8595 -54.7221 -4.84822 -16.731 -4.84822 -6.98083 GPRESSAVG: 4125400 43.8988 -49.8241 -15.751 -53.2186 -55.3354 -4.79753 -16.1884 -4.1134 -5.74368 TIMING: 4125400 CPU: 12886.3, 0.00312454/step Wall: 12886.3, 0.00312454/step, 0.759089 hours remaining, 234.320312 MB of memory in use. ENERGY: 4125400 3966.1129 20564.3820 14397.5953 236.4613 -202847.6291 2436.8611 0.0000 0.0000 52022.1217 -109224.0949 298.9718 -161246.2165 -108869.3226 299.0719 -50.4221 -21.0182 763242.9117 -5.6835 -5.7268 PRESSURE: 4125600 175.856 -20.1975 139.318 -20.1982 55.4459 -307.199 139.317 -307.199 -174.586 GPRESSURE: 4125600 210.869 -45.5352 120.895 20.2552 168.314 -213.584 197.535 -224.873 -251.906 PRESSAVG: 4125600 2.30309 -38.0557 -34.4412 -38.0557 -4.24836 -3.47478 -34.4413 -3.4748 -26.9806 GPRESSAVG: 4125600 2.47651 -37.1097 -32.8011 -37.377 -3.73839 -4.5872 -37.2633 -3.71022 -27.4742 TIMING: 4125600 CPU: 12886.9, 0.00313095/step Wall: 12886.9, 0.00313095/step, 0.760472 hours remaining, 234.320312 MB of memory in use. ENERGY: 4125600 4033.0089 20270.2952 14418.6312 250.8701 -202946.6137 2691.9079 0.0000 0.0000 52071.6862 -109210.2141 299.2567 -161281.9003 -108848.2792 298.8318 18.9053 42.4254 762049.4887 -9.6420 -9.5787 PRESSURE: 4125800 238.806 84.2046 -1.51375 84.2048 -93.9335 87.757 -1.51326 87.7583 -420.015 GPRESSURE: 4125800 108.628 87.9768 72.0221 24.1605 41.276 63.8014 77.5281 121.464 -358.671 PRESSAVG: 4125800 -19.7645 -47.6665 -10.1128 -47.6665 48.3237 13.7219 -10.1128 13.7219 2.02069 GPRESSAVG: 4125800 -20.3238 -49.2756 -11.5085 -49.2287 48.4549 14.2971 -11.2338 13.0804 1.55703 TIMING: 4125800 CPU: 12887.5, 0.00312386/step Wall: 12887.5, 0.00312386/step, 0.758578 hours remaining, 234.320312 MB of memory in use. ENERGY: 4125800 3957.6403 20515.7824 14464.0371 258.6581 -202868.6619 2549.4573 0.0000 0.0000 52183.2254 -108939.8613 299.8977 -161123.0867 -108582.6731 299.4128 -91.7140 -69.5892 763504.9614 10.1933 9.8960 PRESSURE: 4126000 201.377 8.37558 54.8932 8.37594 329.091 -171.961 54.8936 -171.961 -249.725 GPRESSURE: 4126000 146.337 17.1683 -97.4691 -66.5418 487.174 -146.619 123.433 -131.385 -261.18 PRESSAVG: 4126000 -42.5086 5.54429 -25.1019 5.54439 46.4823 12.1218 -25.1019 12.1218 1.21877 GPRESSAVG: 4126000 -43.8299 6.29828 -25.1192 7.09993 46.6727 12.3966 -22.1085 11.2281 1.87688 TIMING: 4126000 CPU: 12888.2, 0.00312581/step Wall: 12888.2, 0.00312581/step, 0.758878 hours remaining, 234.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4126000 4073.5619 20382.8616 14519.4384 249.5626 -203234.9381 2961.1433 0.0000 0.0000 52037.5561 -109010.8142 299.0606 -161048.3703 -108641.4083 299.2936 93.5807 124.1106 761882.4605 1.7308 1.5732 PRESSURE: 4126200 -100.179 113.501 -127.539 113.502 219.791 -64.8067 -127.539 -64.8087 274.416 GPRESSURE: 4126200 -19.1748 63.1661 -203.013 43.1738 246.58 -77.6886 -198.282 -153.754 257.876 PRESSAVG: 4126200 7.08408 13.0976 -79.9917 13.0976 4.42483 18.0156 -79.9917 18.0155 -16.6679 GPRESSAVG: 4126200 8.08665 11.9335 -80.616 12.8183 3.56558 18.4528 -80.4751 18.2688 -16.7488 TIMING: 4126200 CPU: 12888.8, 0.00312525/step Wall: 12888.8, 0.00312525/step, 0.758568 hours remaining, 234.320312 MB of memory in use. ENERGY: 4126200 3997.7199 20287.4683 14547.0378 238.6182 -203255.2843 2848.0087 0.0000 0.0000 52212.9709 -109123.4603 300.0687 -161336.4312 -108753.0678 299.3632 131.3425 161.7606 760352.4389 -1.7197 -1.6988 PRESSURE: 4126400 -302.746 273.298 -139.608 273.298 41.6864 53.6387 -139.608 53.638 -707.605 GPRESSURE: 4126400 -270.44 193.239 -222.237 42.0578 101.856 36.9339 -9.15834 -30.4612 -717.302 PRESSAVG: 4126400 -26.6591 37.76 -34.1895 37.76 21.0664 0.216443 -34.1895 0.216489 24.2211 GPRESSAVG: 4126400 -27.512 37.3992 -34.4167 39.3747 21.9145 -0.985422 -32.3597 1.27492 24.4811 TIMING: 4126400 CPU: 12889.4, 0.00311613/step Wall: 12889.4, 0.00311613/step, 0.756181 hours remaining, 234.320312 MB of memory in use. ENERGY: 4126400 4063.4358 20371.9117 14531.9276 258.0217 -202822.5883 2461.6041 0.0000 0.0000 51878.4159 -109257.2716 298.1460 -161135.6875 -108901.1360 298.2150 -322.8882 -295.2953 764343.9480 6.2095 6.2945 PRESSURE: 4126600 114.794 -31.8791 311.38 -31.8789 -26.7632 -78.1233 311.381 -78.1229 306.868 GPRESSURE: 4126600 72.4531 78.351 323.707 -62.8277 74.5684 30.8236 303.416 -136.987 316.55 PRESSAVG: 4126600 -44.9028 18.8566 -36.9029 18.8567 27.504 -12.3486 -36.9028 -12.3487 9.00666 GPRESSAVG: 4126600 -43.734 20.4789 -37.1683 16.7075 26.5592 -11.6379 -39.1188 -12.0487 9.56238 TIMING: 4126600 CPU: 12890, 0.00313103/step Wall: 12890, 0.00313103/step, 0.759622 hours remaining, 234.320312 MB of memory in use. ENERGY: 4126600 3920.6261 20493.4018 14417.7713 255.7244 -203339.9818 2915.0149 0.0000 0.0000 51986.8724 -109350.5710 298.7693 -161337.4434 -108988.9286 298.3615 131.6331 154.5238 763589.1130 -2.7974 -2.5375 PRESSURE: 4126800 232.267 4.12229 60.2684 4.12286 -173.741 116.284 60.2671 116.283 -209.474 GPRESSURE: 4126800 103.864 -37.0925 48.1761 105.513 -61.5989 100.276 119.194 153.395 -125.86 PRESSAVG: 4126800 22.9142 -4.92992 -37.4562 -4.92993 -81.8464 -0.79461 -37.4563 -0.79463 6.09654 GPRESSAVG: 4126800 22.945 -6.39585 -35.7009 -3.51764 -81.6378 -1.23415 -37.9325 -1.74146 6.55952 TIMING: 4126800 CPU: 12890.7, 0.00314741/step Wall: 12890.7, 0.00314741/step, 0.763421 hours remaining, 234.320312 MB of memory in use. ENERGY: 4126800 4022.8042 20452.9585 14494.4706 248.9209 -203097.6055 2576.6196 0.0000 0.0000 51873.4974 -109428.3343 298.1177 -161301.8317 -109065.0237 298.6884 -50.3163 -27.8652 763757.2512 -17.6119 -17.3778 PRESSURE: 4127000 -91.7308 115.812 -26.6903 115.811 116.455 -54.5844 -26.6888 -54.5845 -27.564 GPRESSURE: 4127000 36.0418 110.226 -30.8384 160.606 144.942 -167.203 -201.437 -35.5351 -111.45 PRESSAVG: 4127000 -5.96786 31.2341 19.9382 31.2342 -14.4899 -3.32227 19.9383 -3.32232 34.6601 GPRESSAVG: 4127000 -6.03838 31.4634 19.0249 30.7316 -13.6821 -5.54723 19.4793 -1.95214 33.914 TIMING: 4127000 CPU: 12891.3, 0.00313124/step Wall: 12891.3, 0.00313124/step, 0.759326 hours remaining, 234.320312 MB of memory in use. ENERGY: 4127000 3981.8370 20425.6499 14471.7516 227.8993 -203463.0120 2967.6183 0.0000 0.0000 52064.4757 -109323.7802 299.2153 -161388.2559 -108974.1792 298.4387 -0.9467 23.1779 762918.2985 4.7341 4.7312 PRESSURE: 4127200 224.332 -54.8656 -256.232 -54.8657 77.7072 -69.9691 -256.232 -69.9712 424.939 GPRESSURE: 4127200 259.314 -157.271 -243.904 38.4752 88.6491 -31.837 -278.115 -81.8182 476.009 PRESSAVG: 4127200 12.9242 9.50264 -3.61514 9.50266 7.45933 -41.9059 -3.61517 -41.9059 8.84831 GPRESSAVG: 4127200 12.5244 8.87105 -3.21749 10.7725 7.44843 -40.1579 -4.77181 -41.4992 9.46073 TIMING: 4127200 CPU: 12891.9, 0.00312675/step Wall: 12891.9, 0.00312675/step, 0.758063 hours remaining, 234.320312 MB of memory in use. ENERGY: 4127200 3964.1320 20427.9870 14531.6370 243.8036 -203290.6408 2934.6822 0.0000 0.0000 51851.2801 -109337.1188 297.9900 -161188.3989 -108984.8192 298.7617 242.3261 274.6573 762756.1366 9.7439 9.8112 PRESSURE: 4127400 -101.335 13.7223 -41.102 13.7214 -104.515 79.0821 -41.1011 79.082 122.768 GPRESSURE: 4127400 -101.055 62.4852 -36.0916 -98.5698 -34.041 62.5486 -116.68 6.09238 136.249 PRESSAVG: 4127400 -10.0262 -1.0849 7.4973 -1.08486 14.9533 -4.62888 7.49732 -4.6289 -5.61338 GPRESSAVG: 4127400 -9.75843 -0.34778 7.56553 -1.41572 15.0882 -4.65662 8.79467 -5.26527 -6.29233 TIMING: 4127400 CPU: 12892.5, 0.00312886/step Wall: 12892.5, 0.00312886/step, 0.758401 hours remaining, 234.320312 MB of memory in use. ENERGY: 4127400 3995.0463 20450.2302 14446.4099 256.0188 -202641.3468 2482.1201 0.0000 0.0000 51729.6971 -109281.8244 297.2913 -161011.5215 -108935.2468 298.5181 -27.6938 0.3843 763934.8580 -0.2287 -0.3209 PRESSURE: 4127600 148.811 34.1949 -133.28 34.1951 202.467 -12.7746 -133.28 -12.7752 507.591 GPRESSURE: 4127600 195.937 -5.13036 -184.955 -9.22991 184.561 -9.94008 -69.6198 -17.2854 566.057 PRESSAVG: 4127600 34.1227 52.4311 -28.0015 52.4311 -18.1197 22.171 -28.0016 22.171 19.7801 GPRESSAVG: 4127600 34.8971 51.5005 -28.1381 51.3721 -17.1571 22.9328 -26.7868 20.8807 18.8359 TIMING: 4127600 CPU: 12893.2, 0.00313141/step Wall: 12893.2, 0.00313141/step, 0.758846 hours remaining, 234.320312 MB of memory in use. ENERGY: 4127600 3912.6840 20361.5979 14435.1623 241.7361 -203001.5279 2922.5307 0.0000 0.0000 51991.1805 -109136.6364 298.7940 -161127.8169 -108774.1250 299.1813 286.2896 315.5182 762193.5147 11.9277 12.1920 PRESSURE: 4127800 299.78 -152.592 -180.988 -152.592 26.4892 -127.784 -180.987 -127.784 -5.38622 GPRESSURE: 4127800 246.526 -116.563 -227.851 -106.161 128.077 -89.9046 -191.149 -89.2957 28.835 PRESSAVG: 4127800 15.4202 25.6134 -32.7238 25.6134 14.7939 -17.0808 -32.7238 -17.0808 18.6725 GPRESSAVG: 4127800 16.696 26.7279 -33.8892 24.2472 13.7759 -18.0076 -31.3225 -16.8326 19.1236 TIMING: 4127800 CPU: 12893.8, 0.00312287/step Wall: 12893.8, 0.00312287/step, 0.756601 hours remaining, 234.320312 MB of memory in use. ENERGY: 4127800 3912.0901 20471.8783 14493.6514 244.0791 -203105.2145 2505.3574 0.0000 0.0000 52223.3028 -109254.8554 300.1280 -161478.1582 -108891.2558 298.7871 106.9611 134.4794 762437.4849 16.2955 16.5318 PRESSURE: 4128000 -280.264 187.827 13.532 187.828 -239.28 -14.2086 13.5333 -14.2093 -156.283 GPRESSURE: 4128000 -225.888 157.503 8.27349 139.997 -266.023 -18.791 -24.9704 150.331 -113.042 PRESSAVG: 4128000 25.6923 9.87073 8.17309 9.87076 -7.20113 2.07053 8.17309 2.07062 -25.29 GPRESSAVG: 4128000 25.5439 8.05877 10.3093 13.4488 -7.99351 2.89057 6.43899 2.33709 -24.4378 TIMING: 4128000 CPU: 12894.4, 0.00313019/step Wall: 12894.4, 0.00313019/step, 0.758203 hours remaining, 234.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4128000 4038.9958 20588.5043 14445.5404 240.4981 -203053.4858 2413.7263 0.0000 0.0000 52040.0230 -109286.1979 299.0747 -161326.2208 -108932.7976 298.9382 -225.2754 -201.6510 763105.8456 -2.2663 -2.2958 PRESSURE: 4128200 -44.3571 -126.608 -259.521 -126.608 -127.573 -109.674 -259.521 -109.675 -305.047 GPRESSURE: 4128200 13.0172 -110.853 -287.505 -170.48 -96.3305 -105.699 -168.814 -85.1666 -309.156 PRESSAVG: 4128200 12.4315 20.2058 -0.204817 20.2057 -32.704 -26.3131 -0.20481 -26.3131 -16.5348 GPRESSAVG: 4128200 11.035 22.0947 -1.72608 19.9388 -31.9096 -28.045 -0.233566 -26.9755 -16.1451 TIMING: 4128200 CPU: 12895, 0.00313166/step Wall: 12895, 0.00313166/step, 0.758384 hours remaining, 234.320312 MB of memory in use. ENERGY: 4128200 4036.4280 20423.3590 14475.7368 250.2782 -202988.9214 2650.2460 0.0000 0.0000 51897.9751 -109254.8982 298.2584 -161152.8733 -108879.5819 298.4529 -158.9924 -130.8232 763472.1732 -12.2691 -12.3399 LDB: ============= START OF LOAD BALANCING ============== 12907.5 LDB: ============== END OF LOAD BALANCING =============== 12907.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12907.5 LDB: ============= START OF LOAD BALANCING ============== 12907.8 LDB: Largest compute 7048 load 0.028726 is 14.7% of average load 0.195212 LDB: Average compute 0.004408 is 2.3% of average load 0.195212 LDB: TIME 12907.8 LOAD: AVG 0.195212 MAX 0.216418 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.062 MB LDB: TIME 12907.8 LOAD: AVG 0.195212 MAX 0.216418 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.062 MB LDB: TIME 12907.8 LOAD: AVG 0.195212 MAX 0.216418 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.062 MB LDB: ============== END OF LOAD BALANCING =============== 12907.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12907.8 PRESSURE: 4128400 -190.176 -13.3276 111.981 -13.3279 -34.4913 5.03178 111.98 5.02973 330.356 GPRESSURE: 4128400 -143.533 40.5349 83.7833 -134.543 -4.56084 136.113 196.717 17.2699 339.955 PRESSAVG: 4128400 -17.2321 28.7479 -59.2414 28.7479 37.0502 44.2614 -59.2413 44.2614 -5.89497 GPRESSAVG: 4128400 -18.2995 27.6304 -58.6098 27.1894 37.5459 46.1044 -57.6212 43.6607 -5.13771 TIMING: 4128400 CPU: 12895.7, 0.00318784/step Wall: 12895.7, 0.00318784/step, 0.771812 hours remaining, 234.261719 MB of memory in use. ENERGY: 4128400 3941.4267 20454.0159 14487.7836 244.6209 -202976.7193 2711.4613 0.0000 0.0000 52009.5863 -109127.8246 298.8998 -161137.4109 -108762.2313 298.7597 35.2296 63.9537 763593.5892 4.6410 4.7029 PRESSURE: 4128600 -561.599 -89.8425 92.5061 -89.8428 -14.2805 -141.834 92.5059 -141.834 -247.815 GPRESSURE: 4128600 -535.965 -12.0065 192.273 -123.841 22.5492 -117.625 107.801 -90.1393 -220.604 PRESSAVG: 4128600 -33.9938 15.9713 -0.0425173 15.9713 15.9788 10.0596 -0.0425259 10.0596 9.49964 GPRESSAVG: 4128600 -33.2274 15.7481 0.346695 15.802 16.1763 9.84928 -1.36761 11.1142 8.09837 TIMING: 4128600 CPU: 12896.3, 0.00312138/step Wall: 12896.3, 0.00312138/step, 0.755548 hours remaining, 234.523438 MB of memory in use. ENERGY: 4128600 3930.6413 20630.0048 14399.0445 251.4200 -203241.9063 2699.1444 0.0000 0.0000 52201.1460 -109130.5054 300.0007 -161331.6513 -108754.9564 299.3884 -274.5648 -244.6731 764781.8247 -2.8385 -2.9842 PRESSURE: 4128800 168.392 101.61 -174.499 101.61 286.286 -335.541 -174.498 -335.541 95.538 GPRESSURE: 4128800 253.871 41.3166 -94.6381 47.6544 250.805 -341.833 -108.471 -309.09 100.21 PRESSAVG: 4128800 -77.6066 9.37956 -1.15213 9.37961 49.7075 -59.8963 -1.1522 -59.8964 -13.8769 GPRESSAVG: 4128800 -77.0633 10.3301 -2.07011 7.79845 48.7491 -60.8383 0.780309 -58.7572 -14.013 TIMING: 4128800 CPU: 12896.9, 0.00312119/step Wall: 12896.9, 0.00312119/step, 0.755327 hours remaining, 234.726562 MB of memory in use. ENERGY: 4128800 4000.0885 20510.4623 14378.9312 234.1475 -203364.1363 2803.5793 0.0000 0.0000 52491.6876 -108945.2399 301.6705 -161436.9275 -108577.0741 299.5603 183.4055 201.6289 762198.6241 -13.9253 -14.1090 PRESSURE: 4129000 37.2693 14.981 132.877 14.9816 -159.195 103.47 132.877 103.469 199.491 GPRESSURE: 4129000 19.1357 148.435 145.693 -70.2314 -107.863 71.4339 90.0358 154.701 249.745 PRESSAVG: 4129000 -23.1305 -9.90969 -13.9578 -9.90968 25.3734 -35.1965 -13.9579 -35.1964 5.46593 GPRESSAVG: 4129000 -23.0124 -8.32694 -14.1204 -7.73532 25.9579 -35.2648 -14.1987 -34.6287 4.42691 TIMING: 4129000 CPU: 12897.6, 0.00312977/step Wall: 12897.6, 0.00312977/step, 0.75723 hours remaining, 234.726562 MB of memory in use. ENERGY: 4129000 4012.2420 20467.0693 14540.0561 230.0542 -203368.8953 2729.7058 0.0000 0.0000 52335.9696 -109053.7983 300.7755 -161389.7679 -108682.8747 299.5635 25.8550 53.6728 761858.5041 2.5696 2.4575 PRESSURE: 4129200 -15.4225 218.041 -13.1548 218.042 -55.6424 -268.185 -13.1551 -268.185 138.401 GPRESSURE: 4129200 64.2121 142.816 12.9367 137.675 -38.3592 -285.226 -62.3399 -278.686 133.485 PRESSAVG: 4129200 32.4116 -12.9417 -10.0464 -12.9417 21.0618 -10.086 -10.0464 -10.0861 1.86603 GPRESSAVG: 4129200 32.2437 -15.3022 -8.51994 -14.0607 21.1235 -9.41842 -10.7352 -11.6287 1.44767 TIMING: 4129200 CPU: 12898.2, 0.00310878/step Wall: 12898.2, 0.00310878/step, 0.751979 hours remaining, 234.792969 MB of memory in use. ENERGY: 4129200 4020.2194 20552.2093 14405.9108 251.3745 -203045.5409 2486.2625 0.0000 0.0000 52236.1371 -109093.4273 300.2018 -161329.5644 -108731.4414 299.8452 22.4453 53.1127 763591.7660 18.4465 18.2716 PRESSURE: 4129400 -145.638 -308.997 -154.027 -308.996 96.2101 174.204 -154.026 174.204 -75.0798 GPRESSURE: 4129400 -163.253 -300.687 -219.364 -326.461 153.109 197.94 -150.668 1.62154 -17.216 PRESSAVG: 4129400 2.68451 2.08377 -58.1427 2.08378 -12.5021 27.509 -58.1427 27.509 -1.75461 GPRESSAVG: 4129400 1.13875 2.64835 -60.018 2.92169 -12.9608 28.5107 -58.1058 26.1787 -0.035385 TIMING: 4129400 CPU: 12898.8, 0.00311558/step Wall: 12898.8, 0.00311558/step, 0.753451 hours remaining, 234.792969 MB of memory in use. ENERGY: 4129400 4026.0119 20547.6422 14522.3123 250.1213 -203159.4455 2795.6576 0.0000 0.0000 52223.5876 -108794.1127 300.1297 -161017.7003 -108431.5415 299.4888 -41.5027 -9.1199 763194.8278 -3.8574 -3.9525 PRESSURE: 4129600 -370.527 -253.338 171.655 -253.337 99.5672 72.3961 171.655 72.3958 -380.224 GPRESSURE: 4129600 -312.111 -174.886 250.193 -355.624 85.4921 133.7 110.707 12.3105 -344.804 PRESSAVG: 4129600 -30.1998 25.1806 -26.3376 25.1806 16.9722 17.8017 -26.3376 17.8017 25.8716 GPRESSAVG: 4129600 -27.5441 26.7151 -25.5871 25.7982 14.2526 17.1485 -26.394 19.3519 25.3259 TIMING: 4129600 CPU: 12899.4, 0.0031023/step Wall: 12899.4, 0.0031023/step, 0.750068 hours remaining, 234.792969 MB of memory in use. ENERGY: 4129600 3955.6843 20519.1394 14520.1003 256.1354 -202918.2346 2560.7001 0.0000 0.0000 52169.1235 -108937.3514 299.8167 -161106.4750 -108570.1083 299.8056 -217.0613 -190.4744 762067.0332 4.2147 4.0115 PRESSURE: 4129800 55.3561 61.0698 -81.9098 61.0697 -516.087 -149.584 -81.9094 -149.584 -83.5516 GPRESSURE: 4129800 48.9956 44.7266 -53.2075 12.758 -374.913 -121.217 7.14517 -38.6974 -125.363 PRESSAVG: 4129800 -43.3192 1.70607 -38.1994 1.70606 -16.5837 29.0572 -38.1994 29.0572 -25.3382 GPRESSAVG: 4129800 -44.6797 0.709612 -37.4701 0.898584 -14.2943 27.9291 -37.9196 29.6068 -25.8743 TIMING: 4129800 CPU: 12900, 0.00309994/step Wall: 12900, 0.00309994/step, 0.749325 hours remaining, 234.792969 MB of memory in use. ENERGY: 4129800 3968.0634 20558.3977 14546.9069 252.3636 -203001.2395 2580.7803 0.0000 0.0000 52159.9772 -108934.7504 299.7641 -161094.7276 -108574.5215 300.0807 -181.4274 -150.4270 762168.9255 -28.4137 -28.2827 PRESSURE: 4130000 508.448 79.5027 -79.7368 79.5019 102.692 3.97647 -79.7368 3.9779 -76.1098 GPRESSURE: 4130000 488.272 129.302 -93.3172 -20.8295 161.879 30.1515 86.1521 -97.0101 -42.0776 PRESSAVG: 4130000 -8.15675 -0.0925853 -43.154 -0.0926277 -1.51853 42.0938 -43.1539 42.0938 6.84145 GPRESSAVG: 4130000 -8.24483 -0.630829 -45.0884 -0.125135 -1.34399 42.0648 -41.048 40.7102 6.8069 TIMING: 4130000 CPU: 12900.7, 0.0031173/step Wall: 12900.7, 0.0031173/step, 0.753348 hours remaining, 234.792969 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: 4130000 3957.0866 20561.3720 14533.5188 234.0820 -203583.1702 2937.8300 0.0000 0.0000 52179.5185 -109179.7622 299.8764 -161359.2807 -108817.2964 300.0945 178.3433 202.6909 762965.6834 -0.9446 -0.9273 PRESSURE: 4130200 -126.311 28.4119 -79.972 28.4124 -251.414 241.779 -79.9723 241.778 -288.398 GPRESSURE: 4130200 -129.384 148.714 -2.60543 161.527 -197.81 224.352 -101.879 137.046 -260.157 PRESSAVG: 4130200 -28.6007 31.9825 -3.0796 31.9826 11.6735 -32.6861 -3.07958 -32.686 -21.9143 GPRESSAVG: 4130200 -29.0076 32.6565 -1.47097 32.6772 11.7674 -32.8081 -4.24878 -34.7117 -21.5738 TIMING: 4130200 CPU: 12901.3, 0.00313164/step Wall: 12901.3, 0.00313164/step, 0.756639 hours remaining, 234.792969 MB of memory in use. ENERGY: 4130200 4019.1816 20582.9952 14535.2799 237.1444 -203172.0085 2679.0581 0.0000 0.0000 52111.5033 -109006.8461 299.4855 -161118.3494 -108649.0582 299.3629 -222.0413 -195.7834 762890.8364 -12.9472 -12.9380 PRESSURE: 4130400 -132.86 -201.183 -272.181 -201.183 -190.874 -153.782 -272.18 -153.783 -389.588 GPRESSURE: 4130400 -50.5327 -186.831 -230.671 -188.545 -182.459 -170.063 -188.466 -84.4746 -384.287 PRESSAVG: 4130400 48.0147 -76.1285 -22.3771 -76.1285 -53.9102 -28.3399 -22.377 -28.3399 7.06988 GPRESSAVG: 4130400 49.7027 -75.1162 -21.6931 -76.6183 -54.9377 -27.8627 -24.4527 -26.4091 6.55848 TIMING: 4130400 CPU: 12901.9, 0.00311802/step Wall: 12901.9, 0.00311802/step, 0.753175 hours remaining, 234.792969 MB of memory in use. ENERGY: 4130400 4015.5259 20459.4226 14486.3575 239.6403 -202757.1369 2406.5228 0.0000 0.0000 52084.8304 -109064.8374 299.3322 -161149.6677 -108697.4455 299.6251 -237.7739 -205.7594 764389.2306 0.3915 0.4411 PRESSURE: 4130600 67.5582 50.3714 131.977 50.3718 142.644 -211.802 131.977 -211.801 -206.312 GPRESSURE: 4130600 100.755 -15.5525 82.0862 22.9279 102.949 -204.231 94.3632 -212.489 -109.841 PRESSAVG: 4130600 43.5773 6.55031 -17.8578 6.55027 0.565675 3.24763 -17.8579 3.24762 -5.22947 GPRESSAVG: 4130600 41.4265 2.21143 -19.7656 7.96911 2.40347 3.94423 -15.9511 3.13673 -4.69099 TIMING: 4130600 CPU: 12902.5, 0.00310847/step Wall: 12902.5, 0.00310847/step, 0.750697 hours remaining, 234.792969 MB of memory in use. ENERGY: 4130600 3987.0814 20620.7128 14482.7520 241.5475 -203135.1468 2908.7232 0.0000 0.0000 51967.8077 -108926.5222 298.6597 -160894.3299 -108563.5690 299.5401 1.2967 31.2877 764304.0472 12.9712 13.0463 PRESSURE: 4130800 249.797 -41.0236 133.977 -41.0241 -210.457 -121.535 133.978 -121.535 -96.1694 GPRESSURE: 4130800 230.523 97.785 96.9426 -23.4512 -170.757 -18.1683 -7.57296 -156.835 -37.742 PRESSAVG: 4130800 3.78164 -4.04856 -1.57562 -4.04854 -60.0271 45.0123 -1.57564 45.0124 -21.1023 GPRESSAVG: 4130800 4.10437 -1.70076 -0.55281 -6.07326 -60.4694 44.7718 -0.208327 45.7254 -20.5932 TIMING: 4130800 CPU: 12903.2, 0.00311713/step Wall: 12903.2, 0.00311713/step, 0.752613 hours remaining, 234.792969 MB of memory in use. ENERGY: 4130800 3990.0579 20534.4124 14593.9586 235.5955 -203572.9629 2830.1916 0.0000 0.0000 52363.1474 -109025.5995 300.9317 -161388.7469 -108668.2001 299.5209 -18.9429 7.3412 762657.7155 -25.7826 -25.6527 PRESSURE: 4131000 -331.758 71.5436 294.034 71.544 -108.059 71.5807 294.034 71.5807 -369.225 GPRESSURE: 4131000 -260.479 45.2636 273.972 71.3018 -69.7917 -1.66791 176.286 112.279 -406.021 PRESSAVG: 4131000 38.1788 4.44257 13.531 4.44249 -20.7737 72.7254 13.5311 72.7253 8.55386 GPRESSAVG: 4131000 39.3435 5.01151 13.8595 4.86749 -21.0448 72.2294 10.6529 73.5268 7.45631 TIMING: 4131000 CPU: 12903.8, 0.00311485/step Wall: 12903.8, 0.00311485/step, 0.751891 hours remaining, 234.792969 MB of memory in use. ENERGY: 4131000 3916.1465 20576.4626 14471.0421 238.7879 -202456.7629 2164.7716 0.0000 0.0000 52126.8230 -108962.7292 299.5736 -161089.5522 -108596.5351 299.5239 -269.6809 -245.4307 763380.2178 8.6530 8.5850 PRESSURE: 4131200 -105.474 41.3447 -294.324 41.3443 -63.5574 261.348 -294.324 261.348 460.637 GPRESSURE: 4131200 -37.984 -6.66397 -224.821 -49.8005 60.1574 231.685 -300.082 225.213 360.317 PRESSAVG: 4131200 -4.46428 11.9467 16.4 11.9468 -8.99383 12.0638 16.4 12.0637 -4.11052 GPRESSAVG: 4131200 -4.71064 12.0724 13.5221 11.8389 -9.01564 12.6473 17.5343 11.2257 -3.42934 TIMING: 4131200 CPU: 12904.4, 0.0031051/step Wall: 12904.4, 0.0031051/step, 0.749365 hours remaining, 234.792969 MB of memory in use. ENERGY: 4131200 4007.2109 20419.6152 14459.9062 251.8003 -202953.3296 2738.9037 0.0000 0.0000 52191.6558 -108884.2375 299.9462 -161075.8933 -108514.0976 299.8561 97.2019 127.4968 761980.8919 -5.8562 -5.7185 PRESSURE: 4131400 -250.987 35.9173 -73.7919 35.9177 235.253 178.903 -73.7918 178.903 570.951 GPRESSURE: 4131400 -159.294 32.5779 -107.864 47.2763 262.872 139.83 -239.868 286.191 530.785 PRESSAVG: 4131400 13.9166 -3.71407 7.01811 -3.71404 -34.4963 49.4327 7.01808 49.4327 21.1649 GPRESSAVG: 4131400 14.8815 -3.20583 7.54686 -3.40713 -35.9735 50.9089 7.19743 50.3383 21.8222 TIMING: 4131400 CPU: 12905, 0.00312008/step Wall: 12905, 0.00312008/step, 0.752805 hours remaining, 234.792969 MB of memory in use. ENERGY: 4131400 3979.3463 20506.0157 14500.5352 244.5544 -202841.9007 2643.1451 0.0000 0.0000 51996.2518 -108972.0522 298.8232 -160968.3040 -108601.2136 299.5224 185.0722 211.4542 763202.1411 0.1951 0.2434 PRESSURE: 4131600 -234.395 -59.7307 134.632 -59.7308 -47.4015 314.24 134.632 314.24 -312.702 GPRESSURE: 4131600 -213.435 -63.4179 84.6661 -41.3001 91.2804 318.492 123.889 315.479 -389.746 PRESSAVG: 4131600 -12.5403 -19.5178 12.1701 -19.5179 23.6938 69.747 12.1701 69.747 3.00561 GPRESSAVG: 4131600 -13.89 -22.1827 14.2318 -19.3813 24.4942 68.061 11.7321 68.5726 3.78016 TIMING: 4131600 CPU: 12905.7, 0.00311161/step Wall: 12905.7, 0.00311161/step, 0.750589 hours remaining, 234.792969 MB of memory in use. ENERGY: 4131600 3905.7492 20572.9000 14559.4446 248.7412 -202403.2246 2114.7834 0.0000 0.0000 51907.6119 -109093.9944 298.3138 -161001.6063 -108729.2458 299.1147 -198.1663 -170.6337 763210.7515 4.7197 4.7948 PRESSURE: 4131800 110.008 -99.7362 118.902 -99.736 -62.0103 -23.2087 118.903 -23.2091 309.11 GPRESSURE: 4131800 208.209 -109.762 127.837 -127.729 -8.15119 -24.0828 136.898 9.28987 252.359 PRESSAVG: 4131800 1.46372 38.7307 -17.0368 38.7307 7.81864 11.5353 -17.0369 11.5353 -3.8826 GPRESSAVG: 4131800 1.2316 40.3962 -16.7188 38.7025 8.91523 13.3452 -17.3056 12.3687 -5.16312 TIMING: 4131800 CPU: 12906.3, 0.00311473/step Wall: 12906.3, 0.00311473/step, 0.751168 hours remaining, 234.792969 MB of memory in use. ENERGY: 4131800 3965.6493 20490.4974 14486.9351 247.9184 -203009.5276 2624.1949 0.0000 0.0000 52160.3863 -109033.9462 299.7665 -161194.3325 -108660.2922 299.4181 119.0359 150.8056 761357.7703 1.7999 1.6612 PRESSURE: 4132000 266.771 370.046 -210.551 370.046 -84.2571 158.285 -210.551 158.286 -63.7801 GPRESSURE: 4132000 224.19 385.512 -105.351 320.146 -1.05019 130.822 -234.456 188.257 -19.8871 PRESSAVG: 4132000 45.5065 12.1093 -7.77432 12.1093 -12.1199 9.72704 -7.77441 9.72701 -7.12209 GPRESSAVG: 4132000 46.4582 13.4756 -8.25437 12.2763 -13.3175 7.02352 -6.51678 7.2648 -6.77294 TIMING: 4132000 CPU: 12906.9, 0.00310673/step Wall: 12906.9, 0.00310673/step, 0.749068 hours remaining, 234.792969 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: 4132000 4038.3203 20301.8918 14476.3880 257.2733 -202563.2113 2531.2471 0.0000 0.0000 52019.5536 -108938.5373 298.9571 -160958.0908 -108558.5071 299.2274 39.5779 67.7510 762020.2156 8.7548 8.7892 PRESSURE: 4132200 207.469 -3.05989 117.792 -3.05993 203.528 -4.43563 117.792 -4.4363 88.9305 GPRESSURE: 4132200 263.338 -21.1564 88.015 -30.2471 209.254 -58.6928 57.8919 5.63698 88.4854 PRESSAVG: 4132200 -26.0726 15.6917 -8.3027 15.6916 9.77063 24.6637 -8.30263 24.6637 -3.63421 GPRESSAVG: 4132200 -26.6879 15.1775 -10.1631 16.299 10.3873 25.8085 -9.10099 27.3789 -3.82396 TIMING: 4132200 CPU: 12907.5, 0.00310442/step Wall: 12907.5, 0.00310442/step, 0.748338 hours remaining, 234.792969 MB of memory in use. ENERGY: 4132200 3955.7122 20517.4871 14445.5394 237.6641 -202729.6352 2596.5376 0.0000 0.0000 52218.7121 -108757.9827 300.1017 -160976.6948 -108395.8440 299.6966 166.6425 187.0259 764097.2235 -6.6454 -6.7082 LDB: ============= START OF LOAD BALANCING ============== 12920 LDB: ============== END OF LOAD BALANCING =============== 12920 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12920 LDB: ============= START OF LOAD BALANCING ============== 12920.3 LDB: Largest compute 7049 load 0.030660 is 15.7% of average load 0.195197 LDB: Average compute 0.004394 is 2.3% of average load 0.195197 LDB: TIME 12920.3 LOAD: AVG 0.195197 MAX 0.217292 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.465 MB LDB: TIME 12920.3 LOAD: AVG 0.195197 MAX 0.217292 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.562 MB LDB: TIME 12920.3 LOAD: AVG 0.195197 MAX 0.217292 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.562 MB LDB: ============== END OF LOAD BALANCING =============== 12920.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12920.3 PRESSURE: 4132400 -287.613 151.933 -136.138 151.932 198.945 -26.1377 -136.139 -26.1372 -82.2544 GPRESSURE: 4132400 -272.721 86.7408 -61.2931 179.935 203.996 -62.9399 -162.183 -151.699 -14.8681 PRESSAVG: 4132400 -39.5565 -25.7019 -38.01 -25.7019 14.477 -3.46434 -38.0101 -3.46445 23.6259 GPRESSAVG: 4132400 -39.4036 -24.084 -35.716 -27.7755 14.3318 -2.71345 -37.5819 -4.50301 23.6789 TIMING: 4132400 CPU: 12908.2, 0.00318566/step Wall: 12908.2, 0.00318566/step, 0.767743 hours remaining, 235.304688 MB of memory in use. ENERGY: 4132400 3965.1103 20542.1320 14426.2053 242.6691 -202270.3662 2246.8048 0.0000 0.0000 52083.5357 -108763.9089 299.3248 -160847.4446 -108403.2524 299.7486 -56.9743 -27.8642 763864.2484 -0.4845 -0.4643 PRESSURE: 4132600 -150.457 -255.257 -113.829 -255.257 -221.826 -194.484 -113.829 -194.483 -188.592 GPRESSURE: 4132600 -172 -185.076 -217.309 -263.876 -178.304 -248.664 -99.1165 -191.699 -142.472 PRESSAVG: 4132600 -23.8452 8.98121 1.03131 8.98122 22.8999 -35.7731 1.03132 -35.7731 34.876 GPRESSAVG: 4132600 -24.5057 7.74704 -1.0836 8.78509 23.0569 -36.1513 1.03375 -36.0205 35.0921 TIMING: 4132600 CPU: 12908.8, 0.00312289/step Wall: 12908.8, 0.00312289/step, 0.752443 hours remaining, 235.496094 MB of memory in use. ENERGY: 4132600 3887.4080 20547.9105 14522.5113 247.0199 -202559.9289 2501.1632 0.0000 0.0000 52024.9198 -108828.9962 298.9879 -160853.9160 -108465.6941 300.2956 -186.9583 -164.2587 763657.2037 11.3102 11.2144 PRESSURE: 4132800 -307.107 -94.6255 -132.756 -94.6256 -307.756 126.404 -132.756 126.405 -155.175 GPRESSURE: 4132800 -295.706 -56.896 -115.854 0.221417 -251.506 62.4713 -199.86 69.7733 -150.092 PRESSAVG: 4132800 -40.1524 -21.6713 27.8621 -21.6713 36.1005 -53.5621 27.8622 -53.5622 -21.0493 GPRESSAVG: 4132800 -40.0498 -22.5548 30.9456 -20.7867 36.2065 -55.6397 25.9911 -52.3982 -21.15 TIMING: 4132800 CPU: 12909.4, 0.00311414/step Wall: 12909.4, 0.00311414/step, 0.750162 hours remaining, 235.496094 MB of memory in use. ENERGY: 4132800 4004.0680 20631.2234 14349.8682 251.5181 -202848.8524 2600.5101 0.0000 0.0000 52192.6999 -108818.9647 299.9522 -161011.6646 -108461.4681 299.7189 -256.6793 -232.4347 764683.3278 -8.3671 -8.3311 PRESSURE: 4133000 -227.568 -124.525 148.278 -124.525 -213.196 74.0127 148.277 74.012 -205.347 GPRESSURE: 4133000 -237.515 -247.352 151.758 -120.237 -64.4434 92.4719 146.883 15.1985 -239.071 PRESSAVG: 4133000 30.4628 -33.5538 66.1668 -33.5538 -49.4039 -8.43012 66.1669 -8.42998 -4.80646 GPRESSAVG: 4133000 31.6018 -32.3728 64.3079 -32.6416 -49.2655 -7.73324 67.7189 -10.4965 -5.96978 TIMING: 4133000 CPU: 12910, 0.00310323/step Wall: 12910, 0.00310323/step, 0.747361 hours remaining, 235.496094 MB of memory in use. ENERGY: 4133000 3973.8037 20620.5003 14383.6858 254.2966 -203420.7313 2931.2522 0.0000 0.0000 52254.7849 -109002.4078 300.3090 -161257.1928 -108638.1103 299.4846 -215.3702 -180.3432 763753.1136 -7.9158 -7.8778 PRESSURE: 4133200 -131.054 179.253 -86.0215 179.253 87.7356 -98.7329 -86.0223 -98.7333 39.7435 GPRESSURE: 4133200 -131.606 76.9398 -161.357 181.808 184.527 -122.418 -2.53546 -86.8887 28.2881 PRESSAVG: 4133200 13.517 -52.6114 -53.068 -52.6114 -22.8801 5.13448 -53.0681 5.13448 -24.8837 GPRESSAVG: 4133200 12.5972 -54.943 -53.9373 -51.909 -23.485 5.82387 -52.379 4.47377 -23.1292 TIMING: 4133200 CPU: 12910.6, 0.00311694/step Wall: 12910.6, 0.00311694/step, 0.750489 hours remaining, 235.496094 MB of memory in use. ENERGY: 4133200 3981.2532 20503.8239 14404.6717 243.4822 -203280.2716 2755.9865 0.0000 0.0000 52049.0833 -109341.9708 299.1268 -161391.0541 -108973.5606 299.0442 -1.1918 27.0697 763716.8814 -11.4156 -11.3390 PRESSURE: 4133400 -208.383 306.682 -61.3514 306.682 -43.2969 -3.49002 -61.3511 -3.49065 93.7562 GPRESSURE: 4133400 -130.934 233.884 -63.9698 143.878 -6.90369 -19.7354 -133.334 -75.0544 64.1073 PRESSAVG: 4133400 -16.3968 -6.63463 -20.4462 -6.63461 -7.07835 -39.7375 -20.4462 -39.7374 -11.3951 GPRESSAVG: 4133400 -15.3538 -5.3084 -19.0405 -8.32836 -6.24623 -39.3478 -22.582 -39.0905 -13.1675 TIMING: 4133400 CPU: 12911.3, 0.00311883/step Wall: 12911.3, 0.00311883/step, 0.750772 hours remaining, 235.496094 MB of memory in use. ENERGY: 4133400 3975.2371 20507.5486 14437.3978 235.2091 -202845.0942 2373.9703 0.0000 0.0000 51863.4389 -109452.2924 298.0599 -161315.7313 -109083.6316 298.8932 -52.6413 -24.5768 762547.8928 -11.6234 -11.5892 PRESSURE: 4133600 -319.7 -84.746 -30.6635 -84.7458 -249.971 -115.607 -30.664 -115.607 -273.319 GPRESSURE: 4133600 -337.068 -28.9379 -47.0334 -4.5111 -147.467 -39.0554 32.9805 -12.4324 -250.47 PRESSAVG: 4133600 -33.9635 -1.72121 -6.99521 -1.72118 -1.31376 -9.23266 -6.99528 -9.2327 -9.84606 GPRESSAVG: 4133600 -35.1687 -3.46432 -7.11173 -1.33956 -1.4038 -10.0084 -6.24347 -9.08674 -8.62333 TIMING: 4133600 CPU: 12911.9, 0.003123/step Wall: 12911.9, 0.003123/step, 0.751603 hours remaining, 235.496094 MB of memory in use. ENERGY: 4133600 3963.2883 20733.9941 14402.0061 242.6894 -202898.1766 2333.8174 0.0000 0.0000 52069.0624 -109153.3189 299.2416 -161222.3813 -108793.4165 299.0967 -280.9967 -245.0016 763590.3494 -15.0411 -15.0653 PRESSURE: 4133800 -414.831 -109.09 -161.484 -109.09 36.7539 182.326 -161.484 182.326 -372.143 GPRESSURE: 4133800 -245.587 -124.647 -149.07 -54.6242 -9.85377 234.746 -78.9918 81.1847 -390.45 PRESSAVG: 4133800 -42.0594 20.0867 -64.438 20.0867 63.5336 -18.6804 -64.438 -18.6803 -19.8653 GPRESSAVG: 4133800 -41.0941 20.955 -65.8126 19.2518 63.2273 -17.8113 -63.4415 -18.8345 -20.2329 TIMING: 4133800 CPU: 12912.5, 0.00312644/step Wall: 12912.5, 0.00312644/step, 0.752256 hours remaining, 235.496094 MB of memory in use. ENERGY: 4133800 4031.1377 20500.4871 14397.9564 248.7295 -202821.8774 2489.9699 0.0000 0.0000 51997.0127 -109156.5841 298.8275 -161153.5968 -108801.6218 299.1646 -250.0733 -215.2970 762656.1706 0.5363 0.6334 PRESSURE: 4134000 0.823913 15.4429 141.607 15.4426 -63.9248 -271.148 141.607 -271.149 -209.259 GPRESSURE: 4134000 -14.486 -34.0561 149.137 29.5209 -25.8565 -222.883 122.221 -130.282 -128.302 PRESSAVG: 4134000 -38.2285 32.9363 -26.7495 32.9362 7.73505 0.966747 -26.7494 0.966744 -10.4175 GPRESSAVG: 4134000 -38.7785 31.9137 -25.2616 34.9812 7.56922 0.527259 -27.7862 4.10044 -9.60626 TIMING: 4134000 CPU: 12913.1, 0.00309788/step Wall: 12913.1, 0.00309788/step, 0.745213 hours remaining, 235.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4134000 3972.2689 20303.8287 14418.2724 238.8231 -202973.8946 2641.8463 0.0000 0.0000 52329.0383 -109069.8170 300.7357 -161398.8552 -108691.9540 299.8351 -90.7867 -56.2149 762714.4174 -13.6370 -13.6052 PRESSURE: 4134200 -55.8794 68.1808 82.6607 68.1811 -215.95 235.457 82.6606 235.457 -53.3491 GPRESSURE: 4134200 -51.9897 137.269 27.9563 60.5929 -215.966 199.765 172.428 141.973 36.452 PRESSAVG: 4134200 36.7296 75.4571 -7.91427 75.4571 -16.8857 10.6976 -7.91421 10.6976 -3.26246 GPRESSAVG: 4134200 36.8486 77.9368 -8.77221 73.522 -17.5136 11.3059 -6.03157 8.74878 -2.96443 TIMING: 4134200 CPU: 12913.8, 0.00311242/step Wall: 12913.8, 0.00311242/step, 0.748538 hours remaining, 235.496094 MB of memory in use. ENERGY: 4134200 4051.4086 20433.4013 14399.3892 242.5859 -202977.6793 2507.2944 0.0000 0.0000 52221.0591 -109122.5408 300.1151 -161343.6000 -108755.8741 299.4773 -108.3927 -77.1677 761954.4579 5.5271 5.4569 PRESSURE: 4134400 35.3143 -158.054 249.49 -158.054 -98.3757 214.322 249.49 214.323 -48.6719 GPRESSURE: 4134400 173.124 -138.592 215.919 -171.124 -142.87 202.876 311.833 202.358 -46.4948 PRESSAVG: 4134400 -16.1377 34.5176 -22.7261 34.5177 0.994956 11.0242 -22.726 11.0242 14.9118 GPRESSAVG: 4134400 -15.0876 33.7872 -22.3386 36.3944 1.49005 11.0075 -22.9168 9.75008 13.6388 TIMING: 4134400 CPU: 12914.4, 0.00312341/step Wall: 12914.4, 0.00312341/step, 0.751007 hours remaining, 235.496094 MB of memory in use. ENERGY: 4134400 4087.0078 20562.1463 14357.4696 221.2098 -202928.6744 2527.8526 0.0000 0.0000 51976.2531 -109196.7354 298.7082 -161172.9885 -108837.2832 299.2532 -37.2444 -5.4135 761770.8325 -0.0770 0.0138 PRESSURE: 4134600 163.49 312.586 74.4788 312.586 218.543 -46.205 74.4789 -46.2055 186.304 GPRESSURE: 4134600 101.649 173.617 64.8565 193.239 273.865 -39.7407 -23.8155 59.1239 264.382 PRESSAVG: 4134600 -21.1314 -9.41098 -1.43583 -9.41093 27.573 32.8398 -1.43582 32.8398 -21.9985 GPRESSAVG: 4134600 -22.2442 -8.7547 -2.08479 -10.7429 28.1878 33.5277 -3.6062 33.3598 -21.6695 TIMING: 4134600 CPU: 12915, 0.00311575/step Wall: 12915, 0.00311575/step, 0.748991 hours remaining, 235.496094 MB of memory in use. ENERGY: 4134600 3957.3398 20556.7536 14457.0705 261.6058 -203275.4978 2785.6747 0.0000 0.0000 52178.2843 -109078.7691 299.8693 -161257.0533 -108712.0586 299.7788 189.4457 213.2985 762166.4515 -5.1856 -5.2420 PRESSURE: 4134800 -102.985 -53.2106 104.241 -53.2103 -304.06 -24.0333 104.24 -24.0342 131.898 GPRESSURE: 4134800 -20.0206 -6.87225 165.652 -53.4923 -254.406 22.7703 70.1369 -116.22 81.3959 PRESSAVG: 4134800 0.425215 -8.27122 -12.8257 -8.27121 -17.716 -8.87629 -12.8257 -8.87633 17.6888 GPRESSAVG: 4134800 1.22696 -7.62335 -12.4593 -8.21251 -17.6637 -8.44003 -11.6344 -9.45237 17.1969 TIMING: 4134800 CPU: 12915.6, 0.00313574/step Wall: 12915.6, 0.00313574/step, 0.753622 hours remaining, 235.496094 MB of memory in use. ENERGY: 4134800 4012.4913 20480.8846 14417.2543 256.5091 -202837.7312 2637.4924 0.0000 0.0000 52124.4189 -108908.6807 299.5598 -161033.0996 -108555.9946 300.0816 -91.7155 -64.3434 762853.5499 0.1327 0.2534 PRESSURE: 4135000 -216.11 57.0489 -94.1302 57.0495 60.3028 -56.9144 -94.1293 -56.9143 -31.0554 GPRESSURE: 4135000 -274.472 34.6921 -28.5654 174.384 74.4913 10.7947 54.7041 7.85582 79.5336 PRESSAVG: 4135000 -14.2427 16.0246 -19.2497 16.0245 70.721 18.481 -19.2498 18.4809 -17.5133 GPRESSAVG: 4135000 -14.3024 15.3546 -18.2246 15.8314 70.5649 16.0347 -18.4757 20.1868 -17.5059 TIMING: 4135000 CPU: 12916.3, 0.00309787/step Wall: 12916.3, 0.00309787/step, 0.74435 hours remaining, 235.496094 MB of memory in use. ENERGY: 4135000 4081.7597 20748.8317 14445.7884 251.0060 -202800.2712 2563.1269 0.0000 0.0000 51902.1168 -108807.6417 298.2822 -160709.7585 -108449.0370 300.3928 -62.2876 -40.1490 763085.0977 12.9883 12.9189 PRESSURE: 4135200 -38.2289 32.6677 8.60103 32.6672 101.361 -64.5679 8.60195 -64.5673 157.885 GPRESSURE: 4135200 15.1494 18.6037 -110.201 139.81 102.069 -166.477 67.4081 -92.9059 200.942 PRESSAVG: 4135200 -1.21482 8.08768 -48.8621 8.08762 8.35618 -31.9898 -48.862 -31.9898 -2.98212 GPRESSAVG: 4135200 -0.984059 6.59176 -51.9469 10.0661 7.6398 -31.2966 -49.8589 -33.6297 -2.60102 TIMING: 4135200 CPU: 12916.9, 0.00311109/step Wall: 12916.9, 0.00311109/step, 0.747354 hours remaining, 235.496094 MB of memory in use. ENERGY: 4135200 3994.9392 20626.7667 14519.4363 224.7945 -202426.8722 2417.3898 0.0000 0.0000 51781.7919 -108861.7539 297.5907 -160643.5458 -108509.9083 299.8226 73.6722 106.0534 763483.4892 1.3864 1.3516 PRESSURE: 4135400 -178.114 203.964 18.4549 203.964 31.1852 -74.4159 18.455 -74.4152 110.094 GPRESSURE: 4135400 -165.251 49.5212 29.455 166.503 37.1526 -154.898 -1.63292 65.6466 175.565 PRESSAVG: 4135400 -39.9457 53.3874 -15.6024 53.3873 74.8019 -47.2244 -15.6024 -47.2244 6.64454 GPRESSAVG: 4135400 -40.4854 53.6415 -11.7621 52.5069 77.0111 -47.838 -17.0046 -47.0737 5.37257 TIMING: 4135400 CPU: 12917.5, 0.00311803/step Wall: 12917.5, 0.00311803/step, 0.748847 hours remaining, 235.496094 MB of memory in use. ENERGY: 4135400 3943.9405 20451.7859 14492.1473 254.1061 -202797.3247 2595.5857 0.0000 0.0000 52342.4577 -108717.3015 300.8128 -161059.7593 -108345.7331 299.8242 -12.2782 15.8223 763431.7612 13.8336 13.9661 PRESSURE: 4135600 -7.84866 187.541 143.738 187.542 -257.917 -174.344 143.738 -174.344 229.392 GPRESSURE: 4135600 -8.01914 47.2835 135.699 180.467 -144.512 -161.018 32.9098 -107.583 196.726 PRESSAVG: 4135600 -4.26061 36.7537 -1.67088 36.7537 40.8807 -22.4384 -1.67091 -22.4384 -6.75568 GPRESSAVG: 4135600 -4.14561 35.2165 -4.49347 36.618 39.5551 -22.8482 -2.36378 -21.0093 -5.51756 TIMING: 4135600 CPU: 12918.1, 0.00311392/step Wall: 12918.1, 0.00311392/step, 0.747687 hours remaining, 235.496094 MB of memory in use. ENERGY: 4135600 3982.9147 20386.8480 14452.8344 247.1060 -202986.9108 2671.9292 0.0000 0.0000 52343.5336 -108901.7450 300.8190 -161245.2786 -108550.1480 300.2856 -12.1246 14.7316 764304.2262 9.9548 9.9640 PRESSURE: 4135800 -17.0092 102.666 -20.853 102.665 91.4643 -15.3256 -20.8536 -15.3254 298.34 GPRESSURE: 4135800 -18.9444 59.7918 -91.5429 189.358 162.144 -43.7181 71.036 3.34368 299.755 PRESSAVG: 4135800 -71.0309 28.6613 2.85256 28.6612 51.0304 20.9438 2.85254 20.9439 0.626511 GPRESSAVG: 4135800 -72.3936 30.8025 2.7539 26.2072 52.1567 21.6557 5.12471 20.7543 0.724842 TIMING: 4135800 CPU: 12918.7, 0.00311078/step Wall: 12918.7, 0.00311078/step, 0.74676 hours remaining, 235.496094 MB of memory in use. ENERGY: 4135800 3943.5548 20677.9714 14487.8740 237.6299 -202946.8630 2778.3055 0.0000 0.0000 52090.8768 -108730.6507 299.3670 -160821.5274 -108373.0500 300.2797 124.2651 147.6517 764330.8914 -6.4580 -6.5040 PRESSURE: 4136000 74.2932 79.9406 313.286 79.9404 136.916 121.165 313.286 121.165 -381.279 GPRESSURE: 4136000 157.28 124.468 329.562 119.319 139.864 147.115 262.839 52.5841 -366.482 PRESSAVG: 4136000 -40.0664 7.27072 1.91239 7.27071 74.4446 4.51569 1.91229 4.51564 14.949 GPRESSAVG: 4136000 -37.6957 7.56557 3.21434 8.88098 74.3945 4.52016 0.436807 3.94682 13.9436 TIMING: 4136000 CPU: 12919.4, 0.0031347/step Wall: 12919.4, 0.0031347/step, 0.752327 hours remaining, 235.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4136000 3988.4960 20658.9561 14449.9846 239.2793 -203173.5948 2723.0653 0.0000 0.0000 52469.2433 -108644.5703 301.5415 -161113.8136 -108280.5164 300.6995 -56.6900 -23.1126 764322.7387 16.4424 16.8808 PRESSURE: 4136200 -319.815 307.094 -137.172 307.095 228.037 9.48566 -137.172 9.48573 50.7451 GPRESSURE: 4136200 -125.55 411.569 -147.709 181.61 152.286 25.305 -83.5531 30.2091 33.6346 PRESSAVG: 4136200 -51.1847 40.0867 11.2208 40.0867 58.7455 -30.9165 11.2208 -30.9165 2.44889 GPRESSAVG: 4136200 -51.3127 38.3327 11.0435 41.4933 57.5214 -31.1965 11.0098 -30.1454 4.15561 TIMING: 4136200 CPU: 12920, 0.00312088/step Wall: 12920, 0.00312088/step, 0.748837 hours remaining, 235.496094 MB of memory in use. ENERGY: 4136200 4030.6372 20407.6932 14461.3314 250.2458 -203221.4523 2733.5380 0.0000 0.0000 52545.9942 -108792.0126 301.9826 -161338.0068 -108417.3789 301.1468 -13.6779 20.1237 762148.7660 3.3366 3.4548 LDB: ============= START OF LOAD BALANCING ============== 12932.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12932.5 LDB: =============== DONE WITH MIGRATION ================ 12932.5 LDB: ============= START OF LOAD BALANCING ============== 12932.8 LDB: Largest compute 7048 load 0.029702 is 15.2% of average load 0.195223 LDB: Average compute 0.004407 is 2.3% of average load 0.195223 LDB: TIME 12932.8 LOAD: AVG 0.195223 MAX 0.215144 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.234 MB LDB: TIME 12932.8 LOAD: AVG 0.195223 MAX 0.215144 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.434 MB LDB: TIME 12932.8 LOAD: AVG 0.195223 MAX 0.215144 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.434 MB LDB: ============== END OF LOAD BALANCING =============== 12932.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12932.8 PRESSURE: 4136400 -244.894 119.084 -6.07684 119.084 529.806 -74.4815 -6.07666 -74.4815 -197.135 GPRESSURE: 4136400 -147.157 67.8226 -16.5497 -23.3909 521.253 -38.2671 67.4066 -26.1183 -185.524 PRESSAVG: 4136400 -0.398596 79.8304 -37.3278 79.8305 2.04477 -26.0477 -37.3278 -26.0477 3.75675 GPRESSAVG: 4136400 -0.0340947 82.1773 -38.3231 77.0383 1.06296 -26.5273 -36.5881 -26.6187 4.04251 TIMING: 4136400 CPU: 12920.6, 0.00319364/step Wall: 12920.6, 0.00319364/step, 0.766119 hours remaining, 235.031250 MB of memory in use. ENERGY: 4136400 3967.3882 20477.6440 14520.8823 233.3358 -203153.9828 2751.5553 0.0000 0.0000 52271.2208 -108931.9565 300.4034 -161203.1773 -108561.6706 300.0945 29.2590 62.8571 762414.4679 1.8010 1.6905 PRESSURE: 4136600 208.319 12.61 29.3954 12.6104 -154.026 40.731 29.3956 40.7321 -25.5971 GPRESSURE: 4136600 214.002 -3.07122 49.5023 -28.8491 -89.6618 -15.0535 14.1794 138.074 -5.76209 PRESSAVG: 4136600 -11.598 -2.65785 -14.8636 -2.65787 55.3242 40.3909 -14.8636 40.3909 15.3325 GPRESSAVG: 4136600 -12.0843 -4.64194 -13.764 0.203089 55.7641 40.1513 -15.7627 41.1956 15.43 TIMING: 4136600 CPU: 12921.3, 0.00312989/step Wall: 12921.3, 0.00312989/step, 0.750652 hours remaining, 235.031250 MB of memory in use. ENERGY: 4136600 4010.0757 20520.9132 14482.0011 245.4664 -202869.5639 2627.9036 0.0000 0.0000 52239.6605 -108743.5434 300.2220 -160983.2039 -108383.6278 300.2525 9.5654 39.5260 762645.1389 19.6862 19.7033 PRESSURE: 4136800 31.7584 114.024 -361.173 114.023 -336.806 -47.8589 -361.174 -47.8597 -325.009 GPRESSURE: 4136800 -10.086 177.044 -324.599 -46.1315 -234.204 -82.1948 -279.856 -60.2962 -299.882 PRESSAVG: 4136800 -12.6769 -10.5174 -46.866 -10.5174 15.681 -30.2342 -46.866 -30.2342 -13.5453 GPRESSAVG: 4136800 -13.1537 -10.1991 -48.5019 -10.6088 16.0051 -29.5291 -45.1615 -29.8805 -13.7847 TIMING: 4136800 CPU: 12921.9, 0.00314045/step Wall: 12921.9, 0.00314045/step, 0.753009 hours remaining, 235.031250 MB of memory in use. ENERGY: 4136800 4111.1245 20523.4402 14468.2497 257.3933 -202863.1519 2584.4068 0.0000 0.0000 52055.5081 -108863.0294 299.1637 -160918.5375 -108494.0410 300.0649 -210.0190 -181.3907 763807.0486 -3.5137 -3.6444 PRESSURE: 4137000 158.009 15.5513 104.08 15.5504 -283.613 75.0238 104.08 75.0236 -66.6277 GPRESSURE: 4137000 167.373 55.5958 -1.07002 8.46682 -213.853 -39.9776 152.315 -13.3809 -48.1077 PRESSAVG: 4137000 15.058 7.41723 1.17414 7.4173 2.82753 44.1886 1.17419 44.1887 0.00778438 GPRESSAVG: 4137000 16.0568 8.25583 2.04005 6.05361 2.95996 44.5583 0.981942 44.2473 -0.259727 TIMING: 4137000 CPU: 12922.5, 0.003146/step Wall: 12922.5, 0.003146/step, 0.754165 hours remaining, 235.031250 MB of memory in use. ENERGY: 4137000 4072.4160 20509.9784 14480.3091 250.7984 -203182.5772 2806.6735 0.0000 0.0000 52252.0624 -108810.3393 300.2933 -161062.4017 -108447.8377 299.9765 -64.0774 -31.5293 762700.5009 5.9644 6.2523 PRESSURE: 4137200 229.775 129.002 232.776 129.001 -23.6323 -125.579 232.776 -125.58 -382.432 GPRESSURE: 4137200 236.62 126.954 257.571 61.6164 79.1396 -115.066 152.774 -38.6842 -421.102 PRESSAVG: 4137200 -8.38506 -39.9729 -16.0172 -39.973 15.1387 48.3714 -16.0172 48.3713 4.80638 GPRESSAVG: 4137200 -8.31081 -37.2213 -15.4813 -40.9958 14.7617 47.5984 -16.3322 47.4904 4.93925 TIMING: 4137200 CPU: 12923.1, 0.00313517/step Wall: 12923.1, 0.00313517/step, 0.751396 hours remaining, 235.230469 MB of memory in use. ENERGY: 4137200 3998.2410 20631.2579 14465.3227 242.8730 -203010.2474 2520.3132 0.0000 0.0000 52106.8072 -109045.4323 299.4585 -161152.2395 -108686.2705 299.9107 -58.7633 -35.1141 762174.1637 3.8533 3.7967 PRESSURE: 4137400 -184.554 -174.421 235.161 -174.421 59.7674 159.533 235.161 159.534 -190.527 GPRESSURE: 4137400 -177.247 -193.098 194.189 -258.683 65.1153 190.136 283.093 128.436 -105.095 PRESSAVG: 4137400 -27.4254 -16.5368 12.8494 -16.5368 24.1863 65.1184 12.8494 65.1185 -7.1107 GPRESSAVG: 4137400 -28.1765 -17.9578 12.645 -16.6317 24.1691 66.4396 11.9875 64.0435 -6.45244 TIMING: 4137400 CPU: 12923.8, 0.00313163/step Wall: 12923.8, 0.00313163/step, 0.750373 hours remaining, 235.230469 MB of memory in use. ENERGY: 4137400 4005.2740 20511.2056 14523.5152 263.9572 -202897.8654 2582.7646 0.0000 0.0000 51907.6806 -109103.4682 298.3142 -161011.1489 -108735.4831 299.3740 -105.1045 -72.4087 762968.7044 -3.4499 -3.4866 PRESSURE: 4137600 150.961 12.3084 30.7776 12.3084 211.57 15.5046 30.7777 15.5044 156.732 GPRESSURE: 4137600 185.399 -36.8752 4.71607 -43.0037 218.33 -40.2773 5.43436 7.84143 215.441 PRESSAVG: 4137600 26.5298 -48.4889 -18.2416 -48.4889 36.8647 -8.23012 -18.2416 -8.23022 -4.91443 GPRESSAVG: 4137600 26.1716 -49.5845 -18.5086 -48.4841 37.9424 -8.63183 -18.7864 -8.96494 -5.75001 TIMING: 4137600 CPU: 12924.4, 0.00312411/step Wall: 12924.4, 0.00312411/step, 0.748398 hours remaining, 235.230469 MB of memory in use. ENERGY: 4137600 3984.2750 20475.3904 14469.9842 254.2815 -203563.7332 3037.1257 0.0000 0.0000 52164.1128 -109178.5636 299.7879 -161342.6763 -108811.7285 299.6255 173.0879 206.3897 762120.4362 19.4934 19.4547 PRESSURE: 4137800 70.7715 165.926 42.4156 165.926 -51.9195 198.894 42.4156 198.893 149.134 GPRESSURE: 4137800 140.064 143.958 1.54281 153.678 37.365 199.981 -10.2765 95.749 74.4817 PRESSAVG: 4137800 21.9934 -2.68028 -1.41202 -2.68027 -13.7987 -8.25551 -1.41205 -8.25542 16.1891 GPRESSAVG: 4137800 22.0818 -3.78218 -1.35227 -0.843809 -13.7409 -9.01492 0.559722 -6.49392 16.5229 TIMING: 4137800 CPU: 12925, 0.00312205/step Wall: 12925, 0.00312205/step, 0.747731 hours remaining, 235.230469 MB of memory in use. ENERGY: 4137800 4007.3528 20399.5818 14513.7683 256.5949 -203246.1459 2817.1021 0.0000 0.0000 52042.7382 -109209.0079 299.0903 -161251.7461 -108848.3122 299.1354 55.9954 83.9702 763250.3585 8.1279 8.2880 PRESSURE: 4138000 210.1 -144.539 -118.055 -144.539 -45.894 263.115 -118.055 263.116 460.728 GPRESSURE: 4138000 187.915 -194.553 -148.042 -214.867 60.9829 365.952 -205.011 202.239 474.478 PRESSAVG: 4138000 -9.26213 -18.7497 -9.19665 -18.7498 -2.70382 41.4683 -9.19666 41.4683 -13.9925 GPRESSAVG: 4138000 -9.57475 -18.6115 -9.52862 -20.0108 -3.43738 43.0726 -10.3098 38.5556 -13.2296 TIMING: 4138000 CPU: 12925.6, 0.00314264/step Wall: 12925.6, 0.00314264/step, 0.752489 hours remaining, 235.230469 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: 4138000 3943.1466 20454.5852 14503.4016 265.3047 -203579.6624 2943.0084 0.0000 0.0000 52144.0390 -109326.1767 299.6725 -161470.2158 -108950.9179 299.2818 208.3115 241.1252 761879.8730 -8.6528 -8.7472 PRESSURE: 4138200 -239.645 -133.631 51.7085 -133.631 -287.26 66.3826 51.708 66.3818 -25.2523 GPRESSURE: 4138200 -152.566 -82.4806 52.7302 -96.131 -232.113 181.745 -34.6342 12.2557 -69.7346 PRESSAVG: 4138200 -21.9701 -10.3768 20.7296 -10.3768 35.5342 -19.8878 20.7295 -19.8878 -7.4627 GPRESSAVG: 4138200 -22.116 -9.69942 22.1627 -9.70149 36.1495 -21.2135 18.644 -15.2688 -8.0918 TIMING: 4138200 CPU: 12926.3, 0.00312524/step Wall: 12926.3, 0.00312524/step, 0.748148 hours remaining, 235.230469 MB of memory in use. ENERGY: 4138200 4025.5324 20448.1166 14413.8174 252.4218 -203028.0197 2714.0200 0.0000 0.0000 51826.1180 -109347.9935 297.8454 -161174.1115 -108979.8227 298.8313 -184.0525 -151.4712 764131.3793 2.0338 1.9805 PRESSURE: 4138400 152.382 182.125 -86.4208 182.126 364.273 32.1377 -86.4204 32.1368 -56.9094 GPRESSURE: 4138400 72.8835 242.162 -91.7592 186.477 452.501 -14.5738 -196.458 36.8394 15.8028 PRESSAVG: 4138400 -21.5779 18.0172 -5.7157 18.0171 18.6304 54.7503 -5.71578 54.7502 -34.5253 GPRESSAVG: 4138400 -21.7899 18.8937 -5.04704 16.6059 18.1222 56.9673 -4.8364 50.7479 -34.0085 TIMING: 4138400 CPU: 12926.9, 0.0031154/step Wall: 12926.9, 0.0031154/step, 0.74562 hours remaining, 235.230469 MB of memory in use. ENERGY: 4138400 4016.4081 20454.3785 14399.8746 230.4849 -203007.1829 2774.7331 0.0000 0.0000 52111.1472 -109020.1565 299.4835 -161131.3037 -108670.6943 298.8631 153.2487 180.3957 763537.4344 -12.4910 -12.5587 PRESSURE: 4138600 410.104 149.343 98.1171 149.342 61.0316 -225.654 98.1157 -225.654 250.677 GPRESSURE: 4138600 346.4 206.513 88.8337 112.845 238.227 -253.8 119.166 -102.287 234.234 PRESSAVG: 4138600 11.5305 20.9986 64.887 20.9986 -16.7587 -20.6345 64.887 -20.6345 16.4165 GPRESSAVG: 4138600 11.5528 21.0431 63.0551 21.5356 -16.243 -22.9631 65.3508 -18.1425 16.4252 TIMING: 4138600 CPU: 12927.5, 0.00314028/step Wall: 12927.5, 0.00314028/step, 0.751399 hours remaining, 235.230469 MB of memory in use. ENERGY: 4138600 3933.2922 20485.2142 14500.6969 242.1718 -202837.2744 2619.8098 0.0000 0.0000 52006.0915 -109049.9979 298.8797 -161056.0894 -108704.0468 299.1688 240.6044 272.9539 763678.5338 3.7294 3.9117 PRESSURE: 4138800 122.574 -160.203 -33.3697 -160.202 383.772 123.111 -33.3696 123.112 198.082 GPRESSURE: 4138800 231.639 -193.286 -44.5768 -107.875 369.413 154.794 -43.3203 90.9111 190.003 PRESSAVG: 4138800 25.6791 49.6685 63.5054 49.6685 -30.9137 -5.65707 63.5055 -5.65706 28.4992 GPRESSAVG: 4138800 25.8249 48.1462 65.1683 49.5649 -30.5695 -2.46428 63.5746 -7.24672 28.2265 TIMING: 4138800 CPU: 12928.2, 0.00314113/step Wall: 12928.2, 0.00314113/step, 0.751428 hours remaining, 235.230469 MB of memory in use. ENERGY: 4138800 3981.9810 20465.8228 14529.2090 252.9187 -202935.2357 2584.4069 0.0000 0.0000 52184.5935 -108936.3037 299.9056 -161120.8973 -108567.1746 299.2761 234.8095 263.6850 762248.4179 7.7548 7.8273 PRESSURE: 4139000 -12.3669 61.3689 95.9873 61.3687 -278.227 -24.3231 95.9877 -24.3236 -170.894 GPRESSURE: 4139000 89.61 171.457 17.042 63.5222 -263.418 -4.81135 120.935 -12.6478 -170.321 PRESSAVG: 4139000 10.9141 50.7163 -3.39885 50.7163 18.7655 4.01332 -3.39887 4.01332 -2.19877 GPRESSAVG: 4139000 12.4664 52.4901 -4.70641 49.3449 17.5035 0.421125 -2.05705 5.18178 -2.32921 TIMING: 4139000 CPU: 12928.8, 0.00312495/step Wall: 12928.8, 0.00312495/step, 0.747384 hours remaining, 235.218750 MB of memory in use. ENERGY: 4139000 4015.3909 20582.0379 14459.5388 256.9154 -203064.8835 2624.0721 0.0000 0.0000 52169.0736 -108957.8548 299.8164 -161126.9284 -108600.2555 299.8546 -153.8291 -114.7099 763925.6158 9.1603 9.2136 PRESSURE: 4139200 -262.138 125.033 -181.089 125.033 -4.87582 199.09 -181.089 199.092 -233.178 GPRESSURE: 4139200 -190.525 151.026 -132.785 84.4697 54.2949 225.757 -230.898 240.895 -269.031 PRESSAVG: 4139200 -66.5518 34.9499 23.3354 34.9499 90.5326 12.2975 23.3354 12.2976 9.44051 GPRESSAVG: 4139200 -65.5552 33.5121 22.8552 37.8863 90.378 14.103 21.9513 13.0366 9.28432 TIMING: 4139200 CPU: 12929.4, 0.00313815/step Wall: 12929.4, 0.00313815/step, 0.750367 hours remaining, 235.218750 MB of memory in use. ENERGY: 4139200 4018.5700 20389.2656 14460.1902 246.7917 -203207.7822 2607.2154 0.0000 0.0000 52342.7649 -109142.9844 300.8146 -161485.7492 -108781.0167 299.5878 -166.7304 -135.0869 763310.1945 11.1404 11.3690 PRESSURE: 4139400 255.779 -0.22505 -159.699 -0.226081 -34.6591 -20.5917 -159.7 -20.5934 207.918 GPRESSURE: 4139400 204.906 40.9773 -267.715 123.467 114.065 46.7602 -115.219 -28.1962 191.398 PRESSAVG: 4139400 1.90402 -36.0999 -29.4736 -36.0999 11.4212 5.66057 -29.4736 5.6605 -8.0043 GPRESSAVG: 4139400 -0.52735 -36.4096 -30.6959 -38.519 13.2468 5.57656 -28.6687 6.11544 -7.63988 TIMING: 4139400 CPU: 12930, 0.00313325/step Wall: 12930, 0.00313325/step, 0.74902 hours remaining, 235.433594 MB of memory in use. ENERGY: 4139400 3962.4061 20442.4548 14444.1556 233.5114 -203409.3467 2884.8842 0.0000 0.0000 52156.7522 -109285.1824 299.7456 -161441.9346 -108907.4513 299.5129 143.0126 170.1229 762198.5517 1.7736 1.6932 PRESSURE: 4139600 -26.3721 -13.9082 21.0807 -13.9077 24.2958 255.171 21.0802 255.171 -239.812 GPRESSURE: 4139600 -50.8973 -34.9061 -86.5091 -110.397 101.19 330.283 60.163 248.916 -214.399 PRESSAVG: 4139600 10.8708 -29.041 -6.19221 -29.041 -77.5844 10.8575 -6.19222 10.8576 -16.5813 GPRESSAVG: 4139600 11.1521 -29.1411 -4.94967 -28.6536 -78.0363 7.75954 -6.50502 10.0359 -15.9488 TIMING: 4139600 CPU: 12930.7, 0.00311578/step Wall: 12930.7, 0.00311578/step, 0.744671 hours remaining, 235.433594 MB of memory in use. ENERGY: 4139600 4076.8789 20698.1269 14482.2430 245.7771 -203763.7870 2893.4294 0.0000 0.0000 51842.5053 -109524.8263 297.9396 -161367.3316 -109178.6573 298.6450 -80.6296 -54.7020 761513.9882 -27.7650 -27.6110 PRESSURE: 4139800 85.2624 -70.8293 5.22635 -70.8298 -148.933 -149.266 5.22669 -149.265 216.96 GPRESSURE: 4139800 84.8318 -112.436 6.88039 -3.4729 -8.71931 -130.468 -3.04212 -140.992 154.186 PRESSAVG: 4139800 -41.2151 -5.74439 2.34214 -5.74435 53.534 42.698 2.34211 42.6982 23.0452 GPRESSAVG: 4139800 -40.5733 -4.38834 0.940885 -4.52552 53.1078 44.2956 2.95408 40.7305 23.1619 TIMING: 4139800 CPU: 12931.3, 0.00311736/step Wall: 12931.3, 0.00311736/step, 0.744875 hours remaining, 235.433594 MB of memory in use. ENERGY: 4139800 3944.9318 20575.3086 14535.3132 244.5467 -202919.7980 2449.5955 0.0000 0.0000 51560.6702 -109609.4320 296.3199 -161170.1022 -109255.6896 298.4045 51.0967 76.7661 762925.2680 11.7880 11.8988 PRESSURE: 4140000 -46.5871 -67.5236 99.1658 -67.5239 50.0516 -47.9738 99.1665 -47.9735 278.007 GPRESSURE: 4140000 7.23559 -146.02 142.475 64.0672 64.5065 -59.6809 59.9685 -27.9962 291.277 PRESSAVG: 4140000 52.5609 1.06463 36.2409 1.06468 -33.8304 7.51205 36.241 7.51214 -13.0536 GPRESSAVG: 4140000 53.3126 -0.638308 35.8168 4.68067 -32.8492 7.8191 36.3325 8.55577 -14.4701 TIMING: 4140000 CPU: 12931.9, 0.00311113/step Wall: 12931.9, 0.00311113/step, 0.743214 hours remaining, 235.433594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4140000 3885.6967 20457.0818 14458.5431 236.7566 -203518.9372 2699.6787 0.0000 0.0000 52016.3855 -109764.7948 298.9389 -161781.1803 -109392.2031 298.0855 93.8239 121.0063 762207.7859 1.8923 1.9978 PRESSURE: 4140200 -90.2686 1.25095 -147.81 1.25156 -19.0004 -66.8884 -147.811 -66.8874 -66.5188 GPRESSURE: 4140200 8.906 11.8073 -225.321 122.894 46.009 10.2018 -96.2587 -138.761 -131.473 PRESSAVG: 4140200 -24.1 38.2882 2.96622 38.2882 12.9551 -2.25884 2.96623 -2.25883 10.5396 GPRESSAVG: 4140200 -23.5805 39.3456 4.98134 37.5048 11.4301 -0.802025 3.38609 -4.69696 11.6881 TIMING: 4140200 CPU: 12932.5, 0.00312506/step Wall: 12932.5, 0.00312506/step, 0.746368 hours remaining, 235.433594 MB of memory in use. ENERGY: 4140200 3970.4326 20294.2821 14490.0542 251.5034 -202701.8646 2261.5865 0.0000 0.0000 51794.0948 -109639.9110 297.6614 -161434.0059 -109273.4787 298.2025 -58.5959 -25.5193 763382.4058 -0.2018 -0.1541 LDB: ============= START OF LOAD BALANCING ============== 12945 LDB: ============== END OF LOAD BALANCING =============== 12945 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12945 LDB: ============= START OF LOAD BALANCING ============== 12945.3 LDB: Largest compute 7048 load 0.034211 is 17.5% of average load 0.195131 LDB: Average compute 0.004421 is 2.3% of average load 0.195131 LDB: TIME 12945.3 LOAD: AVG 0.195131 MAX 0.214634 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.809 MB LDB: TIME 12945.3 LOAD: AVG 0.195131 MAX 0.214634 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.812 MB LDB: TIME 12945.3 LOAD: AVG 0.195131 MAX 0.214634 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.812 MB LDB: ============== END OF LOAD BALANCING =============== 12945.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12945.3 PRESSURE: 4140400 -281.516 -193.55 302.276 -193.55 -357.481 -104.335 302.276 -104.335 7.45118 GPRESSURE: 4140400 -236.971 -224.81 200.453 -204.032 -294.86 -113.818 239.452 32.8562 -23.7342 PRESSAVG: 4140400 19.7745 46.1164 -22.0194 46.1164 30.1804 36.8582 -22.0194 36.8583 -5.326 GPRESSAVG: 4140400 19.6503 48.5513 -22.4457 43.9107 31.2985 33.8469 -22.9926 40.9229 -6.85001 TIMING: 4140400 CPU: 12933.2, 0.00320446/step Wall: 12933.2, 0.00320446/step, 0.765154 hours remaining, 233.750000 MB of memory in use. ENERGY: 4140400 4063.5192 20402.3642 14518.2991 242.6057 -203340.2799 2721.2747 0.0000 0.0000 51921.2859 -109470.9312 298.3923 -161392.2171 -109101.1400 298.7768 -210.5151 -185.1883 763864.0786 14.8763 14.6996 PRESSURE: 4140600 -93.8277 87.8145 241.486 87.8138 -142.309 -40.3875 241.487 -40.3893 -277.312 GPRESSURE: 4140600 -35.2468 0.000752422 271.965 188.589 -96.8529 -111.699 208.524 -74.93 -292.011 PRESSAVG: 4140600 33.8356 21.8604 -1.27214 21.8604 10.527 26.2242 -1.27217 26.2242 22.5651 GPRESSAVG: 4140600 32.0363 19.6693 -2.07534 21.4643 11.0514 26.3222 -0.388907 26.898 23.4127 TIMING: 4140600 CPU: 12933.8, 0.00311646/step Wall: 12933.8, 0.00311646/step, 0.743969 hours remaining, 233.750000 MB of memory in use. ENERGY: 4140600 3949.3311 20706.3519 14479.9012 240.7339 -203336.5678 2734.8293 0.0000 0.0000 51920.8252 -109304.5951 298.3897 -161225.4203 -108942.7577 298.9027 -171.1498 -141.3703 763019.6892 22.3092 22.1668 PRESSURE: 4140800 374.111 -45.628 225.879 -45.6284 -63.401 -134.614 225.88 -134.615 -247.066 GPRESSURE: 4140800 400.326 0.795986 218.711 -58.8959 -98.7517 -98.097 177.923 -105.463 -142.396 PRESSAVG: 4140800 47.7763 65.5491 36.2194 65.5491 -48.8937 -27.8527 36.2194 -27.8528 6.14729 GPRESSAVG: 4140800 48.9709 67.6579 37.0938 67.1127 -49.6426 -24.8893 34.4114 -28.8579 6.1403 TIMING: 4140800 CPU: 12934.4, 0.00312767/step Wall: 12934.4, 0.00312767/step, 0.746472 hours remaining, 233.953125 MB of memory in use. ENERGY: 4140800 3944.1387 20553.9917 14430.6816 239.2206 -203620.5440 3043.1282 0.0000 0.0000 51867.6904 -109541.6928 298.0843 -161409.3833 -109173.6889 298.6911 21.2144 53.0594 763394.8189 1.6766 1.8229 PRESSURE: 4141000 42.7422 92.8862 -133.987 92.8864 -117.497 -16.6989 -133.986 -16.6997 -211.755 GPRESSURE: 4141000 157.088 54.0048 -39.5469 7.30949 -149.936 36.4135 -116.572 13.6918 -225.613 PRESSAVG: 4141000 87.9749 -37.3286 -0.567086 -37.3286 -71.6972 28.1623 -0.567097 28.1622 -3.44171 GPRESSAVG: 4141000 87.4521 -38.0774 -0.709404 -37.9919 -72.0626 26.6673 -0.126239 29.3605 -2.87132 TIMING: 4141000 CPU: 12935, 0.00311349/step Wall: 12935, 0.00311349/step, 0.742913 hours remaining, 233.953125 MB of memory in use. ENERGY: 4141000 3963.3385 20454.5600 14467.3120 256.3378 -203484.2454 2754.2334 0.0000 0.0000 52106.8785 -109481.5852 299.4589 -161588.4637 -109114.4801 298.9646 -95.5032 -72.8205 763319.4944 4.2787 4.1727 PRESSURE: 4141200 -206.422 53.6995 -227.678 53.6994 -214.903 -78.0486 -227.677 -78.049 -31.4019 GPRESSURE: 4141200 -183.789 132.776 -260.234 170.987 -136.827 -53.4612 -294.233 -110.145 -54.4616 PRESSAVG: 4141200 82.68 17.5712 23.4346 17.5712 -67.4882 7.878 23.4345 7.87807 -6.12857 GPRESSAVG: 4141200 82.3836 18.0146 22.415 17.4534 -66.6376 7.61115 25.3963 5.73065 -6.56572 TIMING: 4141200 CPU: 12935.7, 0.00312621/step Wall: 12935.7, 0.00312621/step, 0.745775 hours remaining, 233.953125 MB of memory in use. ENERGY: 4141200 4028.0137 20509.6467 14517.5758 256.1031 -203555.7726 2766.3366 0.0000 0.0000 51767.0474 -109711.0493 297.5059 -161478.0967 -109343.9488 298.2719 -150.9087 -125.0258 761944.0013 3.0211 3.0601 PRESSURE: 4141400 177.462 17.1277 -161.38 17.1291 -15.4516 -62.2627 -161.38 -62.2619 193.2 GPRESSURE: 4141400 170.098 6.01577 -114.224 14.4095 55.7339 -6.06161 -100.621 -59.2876 215.957 PRESSAVG: 4141400 38.6606 -19.9095 1.19229 -19.9096 -7.78053 -6.40423 1.19222 -6.40413 -3.30254 GPRESSAVG: 4141400 38.8816 -20.421 2.25634 -17.3268 -8.69514 -7.48514 -1.11005 -5.16441 -2.40957 TIMING: 4141400 CPU: 12936.3, 0.00308682/step Wall: 12936.3, 0.00308682/step, 0.736207 hours remaining, 233.953125 MB of memory in use. ENERGY: 4141400 3885.6486 20532.7585 14411.8268 254.9719 -203165.3210 2600.2820 0.0000 0.0000 51726.3642 -109753.4692 297.2721 -161479.8333 -109396.8840 297.9892 118.4036 147.2628 762464.4653 9.1925 9.2590 PRESSURE: 4141600 205.781 40.8752 -211.863 40.8758 215.66 -147.274 -211.863 -147.273 239.485 GPRESSURE: 4141600 264.328 81.8908 -240.127 36.8082 240.092 -136.754 -203.682 -89.4295 230.848 PRESSAVG: 4141600 7.74055 18.5459 -5.37206 18.5459 2.42995 52.1203 -5.37201 52.1203 2.61293 GPRESSAVG: 4141600 6.49854 19.8469 -4.62772 15.8712 3.48415 54.8515 -5.40792 52.2092 2.83127 TIMING: 4141600 CPU: 12936.9, 0.00310484/step Wall: 12936.9, 0.00310484/step, 0.740333 hours remaining, 233.953125 MB of memory in use. ENERGY: 4141600 3944.1889 20370.6837 14483.3227 260.0624 -203784.4689 2926.0148 0.0000 0.0000 51876.4641 -109923.7323 298.1348 -161800.1964 -109562.7018 298.2198 220.3087 245.0894 761504.0074 4.2611 4.2713 PRESSURE: 4141800 -73.5792 50.2474 209.989 50.2474 -304.908 21.4766 209.989 21.477 -136.428 GPRESSURE: 4141800 54.3134 91.0219 187.823 -30.2778 -276.656 -30.6789 74.1029 -82.6666 -198.911 PRESSAVG: 4141800 34.8562 20.6653 -9.34923 20.6654 -50.0693 2.96126 -9.34928 2.96131 8.59482 GPRESSAVG: 4141800 35.9995 18.9235 -10.3656 20.9666 -50.0104 0.673967 -8.80684 1.83702 7.75393 TIMING: 4141800 CPU: 12937.5, 0.00310197/step Wall: 12937.5, 0.00310197/step, 0.739475 hours remaining, 233.953125 MB of memory in use. ENERGY: 4141800 4029.9188 20459.3170 14481.5841 244.4258 -203545.8100 2733.1914 0.0000 0.0000 51854.7144 -109742.6585 298.0098 -161597.3729 -109381.6701 298.2236 -171.6385 -140.4179 762902.9321 -2.2061 -2.0857 PRESSURE: 4142000 -5.11294 -77.2217 -73.3139 -77.2231 -42.0509 213.328 -73.3129 213.326 -66.2984 GPRESSURE: 4142000 -19.8337 -10.75 -81.0457 -48.546 -77.9033 243.521 48.5315 173.577 55.0954 PRESSAVG: 4142000 -4.15461 -11.5491 -40.937 -11.5491 -18.0216 73.3891 -40.937 73.3892 8.07356 GPRESSAVG: 4142000 -4.55264 -10.5659 -39.4275 -10.4411 -17.9647 73.6893 -40.0297 73.6585 8.13098 TIMING: 4142000 CPU: 12938.1, 0.00311686/step Wall: 12938.1, 0.00311686/step, 0.742852 hours remaining, 233.953125 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: 4142000 3946.6753 20341.9792 14489.1792 229.2378 -203472.8450 2690.3940 0.0000 0.0000 52000.3256 -109775.0539 298.8466 -161775.3795 -109414.8752 298.2306 -37.8208 -14.2139 763358.9335 -4.7009 -4.7955 PRESSURE: 4142200 -148.471 -141.123 -46.6801 -141.123 -167.902 -57.4523 -46.6794 -57.4538 -25.9718 GPRESSURE: 4142200 -48.5267 -163.889 -23.2701 -291.237 -146.991 -108.93 35.5382 -18.1917 -55.483 PRESSAVG: 4142200 29.8404 -29.4848 52.3502 -29.4847 -62.332 55.575 52.3502 55.575 19.2159 GPRESSAVG: 4142200 30.0708 -30.1176 49.9979 -28.9969 -62.9466 55.1613 52.6324 55.627 20.0126 TIMING: 4142200 CPU: 12938.8, 0.00312051/step Wall: 12938.8, 0.00312051/step, 0.743547 hours remaining, 233.953125 MB of memory in use. ENERGY: 4142200 3987.5080 20258.6095 14476.7420 253.6529 -203754.5670 2905.4437 0.0000 0.0000 52016.6041 -109856.0068 298.9401 -161872.6109 -109479.8068 298.1108 -114.1149 -83.6670 763740.3705 -4.4252 -4.2878 PRESSURE: 4142400 310.996 101.732 239.741 101.731 13.8422 296.832 239.74 296.832 -409.062 GPRESSURE: 4142400 314.02 59.6967 349.299 49.1934 57.3681 315.84 268.226 286.836 -356.614 PRESSAVG: 4142400 11.4926 4.71706 65.1128 4.71704 -15.3955 63.678 65.1128 63.6781 -14.7183 GPRESSAVG: 4142400 10.7933 5.46655 65.536 2.4805 -14.8363 63.4367 63.6676 64.1027 -14.9356 TIMING: 4142400 CPU: 12939.4, 0.00311274/step Wall: 12939.4, 0.00311274/step, 0.741524 hours remaining, 233.953125 MB of memory in use. ENERGY: 4142400 3997.2102 20364.0889 14439.2443 245.2205 -203532.0715 2875.0717 0.0000 0.0000 51806.7417 -109804.4942 297.7341 -161611.2360 -109465.9683 297.8035 -28.0746 4.9248 761905.4566 -6.2071 -6.3262 PRESSURE: 4142600 -7.73694 71.7964 80.7646 71.7959 12.1888 -1.35524 80.765 -1.35472 -74.8491 GPRESSURE: 4142600 49.1736 71.5133 173.45 75.2607 37.3013 85.3633 -67.1097 -77.8369 -75.8851 PRESSAVG: 4142600 43.543 51.0346 49.3893 51.0345 -51.0519 12.1261 49.3892 12.1261 -10.2921 GPRESSAVG: 4142600 44.2767 51.8951 49.8183 52.8626 -51.9586 13.6689 49.0239 11.8534 -10.2117 TIMING: 4142600 CPU: 12940, 0.00309999/step Wall: 12940, 0.00309999/step, 0.738314 hours remaining, 233.953125 MB of memory in use. ENERGY: 4142600 4019.2239 20502.9649 14480.0858 261.4221 -203467.7856 2732.3160 0.0000 0.0000 51813.2355 -109658.5374 297.7714 -161471.7729 -109301.1998 298.0881 -23.4657 3.5299 761116.9224 -5.9337 -5.9645 PRESSURE: 4142800 372.401 -184.991 174.315 -184.992 139.299 -80.6106 174.314 -80.6096 -5.96942 GPRESSURE: 4142800 364.986 -151.812 190.518 -240.716 146.224 -178.7 163.843 51.4494 75.3246 PRESSAVG: 4142800 58.8052 2.11881 -18.7677 2.11879 -23.7315 -21.1423 -18.7678 -21.1422 -10.8676 GPRESSAVG: 4142800 59.9236 0.748588 -19.3473 2.052 -24.914 -20.9217 -18.0965 -21.9403 -10.5357 TIMING: 4142800 CPU: 12940.6, 0.00312601/step Wall: 12940.6, 0.00312601/step, 0.744339 hours remaining, 233.953125 MB of memory in use. ENERGY: 4142800 4002.1106 20504.4476 14351.6209 238.2121 -203313.6620 2921.3530 0.0000 0.0000 51813.4756 -109482.4422 297.7728 -161295.9179 -109121.4911 298.4015 168.5768 195.5116 760951.5568 8.0687 8.1580 PRESSURE: 4143000 -77.1468 -38.8207 104.831 -38.8215 -374.019 -122.527 104.832 -122.527 2.62036 GPRESSURE: 4143000 -46.3376 16.0287 25.3766 -17.1509 -198.126 -203.574 172.245 -148.411 -102.544 PRESSAVG: 4143000 37.4164 23.2821 11.6833 23.2821 -40.6394 42.4161 11.6834 42.4161 -1.38994 GPRESSAVG: 4143000 36.9753 21.2374 12.2902 23.5548 -39.5512 40.5557 10.4239 42.1603 -1.9958 TIMING: 4143000 CPU: 12941.3, 0.00312466/step Wall: 12941.3, 0.00312466/step, 0.743842 hours remaining, 233.953125 MB of memory in use. ENERGY: 4143000 4056.6206 20372.2041 14545.9969 237.4950 -203117.0694 2633.6203 0.0000 0.0000 51983.1974 -109287.9352 298.7482 -161271.1326 -108918.4257 299.0789 -149.5150 -115.6692 761840.5428 -1.5377 -1.5239 PRESSURE: 4143200 287.271 -83.7412 23.9411 -83.7404 -46.3199 1.75922 23.942 1.75913 31.8157 GPRESSURE: 4143200 381.053 -13.8696 40.2454 -105.276 -10.2089 21.8476 -16.2327 52.7405 -9.26632 PRESSAVG: 4143200 61.5942 40.8915 28.7325 40.8915 -29.3361 2.81565 28.7325 2.81564 14.2313 GPRESSAVG: 4143200 62.6503 45.2456 28.6381 38.8324 -29.0203 3.12501 30.8792 0.876391 13.2624 TIMING: 4143200 CPU: 12941.9, 0.00310406/step Wall: 12941.9, 0.00310406/step, 0.738766 hours remaining, 233.953125 MB of memory in use. ENERGY: 4143200 4041.8624 20484.2283 14469.8056 243.2716 -203610.7414 2892.4693 0.0000 0.0000 52044.3960 -109434.7083 299.0999 -161479.1043 -109078.2709 298.5939 90.9222 120.5260 759820.9561 15.4964 15.6308 PRESSURE: 4143400 -133.225 46.4568 168.066 46.4566 -152.998 -167.939 168.067 -167.939 -87.2245 GPRESSURE: 4143400 -170.21 25.8829 111.458 -42.3338 -91.5913 -74.4798 169.935 -68.9202 -45.1924 PRESSAVG: 4143400 75.9873 -18.1944 8.93089 -18.1945 -49.5295 -7.41548 8.9308 -7.41552 6.69949 GPRESSAVG: 4143400 76.1184 -20.2338 9.25396 -20.1505 -50.7526 -8.0535 7.24248 -5.99154 8.0152 TIMING: 4143400 CPU: 12942.5, 0.00312319/step Wall: 12942.5, 0.00312319/step, 0.743146 hours remaining, 233.953125 MB of memory in use. ENERGY: 4143400 4004.2911 20591.6193 14474.2464 253.5066 -203039.5517 2286.4735 0.0000 0.0000 51850.6304 -109578.7845 297.9863 -161429.4149 -109219.5920 298.6882 -124.4825 -102.3312 762958.7145 11.0524 11.1270 PRESSURE: 4143600 236.768 23.0395 -142.438 23.0396 -30.2038 39.2688 -142.438 39.27 4.90634 GPRESSURE: 4143600 285.166 45.4586 -59.6966 31.0616 -57.934 55.5154 -42.4887 -68.276 57.509 PRESSAVG: 4143600 51.7354 -5.47075 5.55169 -5.47075 -23.6315 45.4174 5.5517 45.4173 7.89314 GPRESSAVG: 4143600 49.656 -5.04078 5.6468 -2.67831 -22.8661 45.4366 6.62542 46.0861 9.15854 TIMING: 4143600 CPU: 12943.1, 0.00313751/step Wall: 12943.1, 0.00313751/step, 0.746379 hours remaining, 233.953125 MB of memory in use. ENERGY: 4143600 3929.3447 20478.4381 14442.0702 247.1398 -203395.8268 2763.4213 0.0000 0.0000 52007.1491 -109528.2637 298.8858 -161535.4128 -109168.7340 298.6175 70.4902 94.9136 762699.0879 11.9990 11.9828 PRESSURE: 4143800 -81.891 71.2709 53.2772 71.2703 -64.215 45.5359 53.2773 45.5353 -128.843 GPRESSURE: 4143800 21.4009 12.0031 123.072 -33.9693 -81.5991 48.7094 85.0508 103.92 -117.246 PRESSAVG: 4143800 32.4443 -19.9325 7.35782 -19.9325 -72.9545 25.0487 7.35782 25.0487 -3.20432 GPRESSAVG: 4143800 33.3683 -24.6401 6.648 -18.3885 -71.903 25.7034 9.12842 24.1286 -4.7502 TIMING: 4143800 CPU: 12943.8, 0.0031128/step Wall: 12943.8, 0.0031128/step, 0.740328 hours remaining, 233.953125 MB of memory in use. ENERGY: 4143800 3938.3590 20427.6730 14482.4730 248.5619 -203253.4073 2617.5902 0.0000 0.0000 52000.6962 -109538.0540 298.8487 -161538.7502 -109176.3706 298.5990 -91.6498 -59.1480 761976.5586 -14.5715 -14.4283 PRESSURE: 4144000 38.7238 -65.1036 -326.78 -65.1038 49.3807 -28.5701 -326.78 -28.5712 -399.151 GPRESSURE: 4144000 -27.2053 -69.1111 -302.064 -20.5893 109.064 12.3557 -377.181 64.065 -305.78 PRESSAVG: 4144000 68.6348 1.80707 -12.1088 1.80711 -44.4823 31.8053 -12.1088 31.8053 -21.9494 GPRESSAVG: 4144000 67.9905 6.61717 -11.69 0.117624 -43.6641 31.8009 -14.729 33.1768 -21.863 TIMING: 4144000 CPU: 12944.4, 0.00310739/step Wall: 12944.4, 0.00310739/step, 0.738869 hours remaining, 233.953125 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: 4144000 3932.2871 20390.4336 14503.1180 252.5204 -203040.6202 2312.9529 0.0000 0.0000 52002.9681 -109646.3400 298.8618 -161649.3081 -109285.9097 298.4266 -103.6823 -74.6404 761411.4591 0.7344 0.8211 PRESSURE: 4144200 -11.2425 4.63463 30.0229 4.63492 156.149 1.65856 30.0225 1.65865 112.951 GPRESSURE: 4144200 -29.8965 -36.778 14.2319 101.537 163.541 -81.1501 141.14 10.5639 197.466 PRESSAVG: 4144200 7.856 -51.5566 -28.1263 -51.5566 -6.48888 27.4984 -28.1263 27.4984 -3.6718 GPRESSAVG: 4144200 9.04687 -54.4164 -28.146 -50.4376 -8.99368 26.0598 -26.0196 26.1158 -2.83053 TIMING: 4144200 CPU: 12945, 0.00309334/step Wall: 12945, 0.00309334/step, 0.735356 hours remaining, 233.953125 MB of memory in use. ENERGY: 4144200 3890.8911 20468.9634 14437.8854 237.2998 -202904.3499 2523.0940 0.0000 0.0000 51879.7556 -109466.4605 298.1537 -161346.2161 -109097.0350 298.3258 85.9527 110.3702 760009.4216 -0.7682 -0.9258 LDB: ============= START OF LOAD BALANCING ============== 12957.5 LDB: ============== END OF LOAD BALANCING =============== 12957.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12957.5 LDB: ============= START OF LOAD BALANCING ============== 12957.8 LDB: Largest compute 7048 load 0.029582 is 15.2% of average load 0.195184 LDB: Average compute 0.004415 is 2.3% of average load 0.195184 LDB: TIME 12957.8 LOAD: AVG 0.195184 MAX 0.215596 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.234 MB LDB: TIME 12957.8 LOAD: AVG 0.195184 MAX 0.215596 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.305 MB LDB: TIME 12957.8 LOAD: AVG 0.195184 MAX 0.215596 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.305 MB LDB: ============== END OF LOAD BALANCING =============== 12957.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12957.8 PRESSURE: 4144400 168.128 253.404 280.657 253.405 -191.191 -0.718911 280.658 -0.718592 120.016 GPRESSURE: 4144400 233.279 232.369 307.973 77.3976 -179.687 5.22949 226.851 -22.9168 135.949 PRESSAVG: 4144400 53.035 33.8905 39.1204 33.8906 -43.7996 13.3955 39.1204 13.3955 19.2494 GPRESSAVG: 4144400 52.5878 36.6672 41.071 32.744 -43.0307 14.9515 35.1025 14.6782 18.9466 TIMING: 4144400 CPU: 12945.6, 0.00317784/step Wall: 12945.6, 0.00317784/step, 0.755266 hours remaining, 234.707031 MB of memory in use. ENERGY: 4144400 3929.3754 20172.5945 14409.1529 245.1705 -202818.3791 2544.1222 0.0000 0.0000 51929.9073 -109588.0564 298.4419 -161517.9637 -109210.0810 298.5070 32.3176 63.1804 761572.5888 9.4949 9.5012 PRESSURE: 4144600 113.634 -15.3681 -210.984 -15.3675 -109.504 -207.066 -210.983 -207.066 101.586 GPRESSURE: 4144600 202.938 29.0172 -159.784 54.7819 -59.1281 -210.997 -203.196 -196.72 58.4577 PRESSAVG: 4144600 39.3118 -20.8648 63.4412 -20.8648 -11.9062 35.9674 63.4412 35.9675 -26.6149 GPRESSAVG: 4144600 39.5868 -20.6383 62.6537 -21.6664 -12.0715 35.1535 61.3695 33.9844 -26.7953 TIMING: 4144600 CPU: 12946.3, 0.00310681/step Wall: 12946.3, 0.00310681/step, 0.738212 hours remaining, 234.773438 MB of memory in use. ENERGY: 4144600 3999.7690 20402.3292 14451.2631 255.5870 -203284.8165 2695.6657 0.0000 0.0000 51995.4638 -109484.7387 298.8186 -161480.2025 -109133.0478 298.7079 35.2388 67.4224 761122.4335 0.2636 0.2400 PRESSURE: 4144800 -122.678 22.158 -204.15 22.1571 -60.5956 35.1752 -204.151 35.1751 106.229 GPRESSURE: 4144800 -94.2023 10.5954 -134.821 -39.6599 -66.2766 29.8349 -97.7386 -28.8161 161.515 PRESSAVG: 4144800 42.9039 16.9387 8.87033 16.9387 -51.7907 -3.30427 8.87034 -3.30425 -9.75442 GPRESSAVG: 4144800 42.6647 16.5488 9.98958 18.3027 -51.7227 -4.38618 13.6415 -1.24146 -9.32288 TIMING: 4144800 CPU: 12946.9, 0.00310844/step Wall: 12946.9, 0.00310844/step, 0.738426 hours remaining, 234.773438 MB of memory in use. ENERGY: 4144800 3924.2560 20531.1643 14496.7060 222.9353 -203404.6826 2662.5498 0.0000 0.0000 51934.3415 -109632.7298 298.4674 -161567.0713 -109271.0041 298.6754 -25.6817 0.3453 760170.2407 -6.2137 -6.1269 PRESSURE: 4145000 4.83891 92.6639 -46.0718 92.6651 39.6802 -139.345 -46.0719 -139.345 12.4135 GPRESSURE: 4145000 -67.0667 93.2274 -108.539 15.3881 202.166 -85.939 -27.4287 -84.8964 -1.95814 PRESSAVG: 4145000 30.5546 57.6952 24.2178 57.6952 16.4833 -6.77502 24.2178 -6.77495 -5.02029 GPRESSAVG: 4145000 29.9229 58.4145 22.3602 55.6201 17.8846 -5.62816 25.4051 -6.84705 -5.96121 TIMING: 4145000 CPU: 12947.5, 0.00310163/step Wall: 12947.5, 0.00310163/step, 0.736637 hours remaining, 234.773438 MB of memory in use. ENERGY: 4145000 3966.5110 20468.8821 14425.5646 232.2227 -203353.6734 2632.4565 0.0000 0.0000 52021.8942 -109606.1424 298.9705 -161628.0365 -109243.3301 298.7194 18.9775 44.3803 761319.2845 14.0059 13.9487 PRESSURE: 4145200 35.4819 -5.61778 218.188 -5.61757 104.52 -162.348 218.189 -162.347 328.69 GPRESSURE: 4145200 85.7609 -1.09252 283.482 61.8105 91.4498 -213.762 -12.746 -165.239 362.584 PRESSAVG: 4145200 -43.0573 -2.79427 -10.9074 -2.79429 -20.6503 10.6727 -10.9074 10.6728 -17.19 GPRESSAVG: 4145200 -42.017 -3.89198 -10.9269 -1.53299 -22.8657 9.77945 -13.1908 9.5268 -16.0512 TIMING: 4145200 CPU: 12948.1, 0.00312101/step Wall: 12948.1, 0.00312101/step, 0.741067 hours remaining, 234.773438 MB of memory in use. ENERGY: 4145200 3894.3141 20414.3846 14401.3835 257.0888 -203499.9959 2842.7054 0.0000 0.0000 51919.0180 -109771.1015 298.3793 -161690.1195 -109420.7372 298.1134 156.2305 179.9314 761862.0363 -26.9659 -26.9780 PRESSURE: 4145400 -343.859 190.604 -361.97 190.604 -158.013 -63.6607 -361.97 -63.6608 299.06 GPRESSURE: 4145400 -146.922 191.469 -292.202 112.935 -205.531 -60.8681 -335.216 14.9812 247.367 PRESSAVG: 4145400 -1.30611 32.7068 -17.7259 32.7068 -29.7912 -20.2464 -17.726 -20.2464 3.34714 GPRESSAVG: 4145400 -2.3764 30.2828 -17.8083 32.669 -28.1102 -20.4529 -16.7775 -19.2981 2.71943 TIMING: 4145400 CPU: 12948.7, 0.00312173/step Wall: 12948.7, 0.00312173/step, 0.741063 hours remaining, 234.773438 MB of memory in use. ENERGY: 4145400 3942.0862 20390.4015 14451.5836 236.5879 -203172.6041 2575.5401 0.0000 0.0000 51912.3159 -109664.0890 298.3408 -161576.4049 -109299.3921 298.3712 -67.6039 -35.0286 762507.6809 -9.2501 -9.2557 PRESSURE: 4145600 106.338 -139.952 25.1765 -139.951 -297.459 -110.827 25.176 -110.826 486.73 GPRESSURE: 4145600 64.1329 -80.3288 65.0119 -197.9 -214.341 -112.473 -20.4154 -53.8075 499.295 PRESSAVG: 4145600 -3.36539 17.2815 -8.68676 17.2815 -23.0783 -14.6924 -8.68674 -14.6924 -7.37127 GPRESSAVG: 4145600 -2.40598 20.7419 -7.87737 17.7004 -24.2381 -13.8229 -9.94097 -14.1295 -7.59564 TIMING: 4145600 CPU: 12949.4, 0.00311674/step Wall: 12949.4, 0.00311674/step, 0.739706 hours remaining, 234.976562 MB of memory in use. ENERGY: 4145600 3918.5438 20539.2856 14412.4757 253.8387 -203626.5369 2793.4140 0.0000 0.0000 51866.0522 -109842.9268 298.0749 -161708.9790 -109487.5374 298.1948 98.5364 116.3623 760261.2581 -11.2716 -11.4132 PRESSURE: 4145800 -19.9122 112.827 -70.8334 112.826 -70.1962 179.615 -70.8336 179.616 -406.9 GPRESSURE: 4145800 57.3268 109.137 -94.1272 -65.1804 -63.5097 142.629 -47.81 174.044 -411.494 PRESSAVG: 4145800 22.0833 17.049 61.176 17.0489 -32.6971 -42.307 61.1761 -42.3071 -16.2893 GPRESSAVG: 4145800 22.2124 16.7704 59.8532 15.3504 -32.446 -42.0944 61.7326 -44.6889 -15.9845 TIMING: 4145800 CPU: 12950, 0.0031113/step Wall: 12950, 0.0031113/step, 0.738242 hours remaining, 234.976562 MB of memory in use. ENERGY: 4145800 4077.4964 20284.3807 14424.9548 268.5381 -203519.2785 2762.6937 0.0000 0.0000 51752.5009 -109948.7140 297.4223 -161701.2149 -109590.8400 298.0991 -165.6695 -139.2255 762360.4668 -8.9677 -8.7394 PRESSURE: 4146000 -132.201 -69.4348 52.4936 -69.4348 58.5273 -51.4752 52.4936 -51.4754 98.7658 GPRESSURE: 4146000 -43.2299 84.7264 -26.2686 -0.018787 25.212 -83.6905 -20.7947 -19.0216 140.895 PRESSAVG: 4146000 22.5177 -10.9907 3.74409 -10.9907 0.422358 5.22128 3.74408 5.22133 -14.2959 GPRESSAVG: 4146000 22.0329 -12.8272 5.66466 -9.9157 0.788351 4.96043 2.57957 5.51923 -13.8046 TIMING: 4146000 CPU: 12950.6, 0.00312777/step Wall: 12950.6, 0.00312777/step, 0.741977 hours remaining, 234.976562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4146000 3924.8083 20219.1541 14497.2663 242.5272 -203342.8776 2402.5139 0.0000 0.0000 52134.9674 -109921.6404 299.6204 -162056.6078 -109554.3029 298.1618 8.3640 40.9590 761792.3906 2.8814 3.0056 PRESSURE: 4146200 -304.883 359.549 278.231 359.548 -337.192 15.5632 278.23 15.5626 58.3133 GPRESSURE: 4146200 -399.469 276.161 237.525 389.924 -204.683 -15.5724 242.883 23.5488 69.6668 PRESSAVG: 4146200 21.2773 8.13412 -28.3248 8.13411 -2.96444 10.1557 -28.3248 10.1558 5.50906 GPRESSAVG: 4146200 23.0101 10.4089 -28.9808 9.62344 -3.83822 9.03667 -27.7565 11.9397 5.40235 TIMING: 4146200 CPU: 12951.2, 0.00311408/step Wall: 12951.2, 0.00311408/step, 0.738557 hours remaining, 234.976562 MB of memory in use. ENERGY: 4146200 3922.7197 20394.0481 14421.7001 233.8397 -203259.1011 2461.8595 0.0000 0.0000 51864.1800 -109960.7540 298.0642 -161824.9339 -109600.2206 298.1211 -194.5873 -178.1617 763509.5076 7.9406 8.1914 PRESSURE: 4146400 91.1123 66.8347 -31.6271 66.8337 33.7042 -71.4801 -31.6265 -71.4798 37.6363 GPRESSURE: 4146400 60.0311 99.1118 -38.3519 23.354 59.2062 -3.07286 71.671 -122.041 113.572 PRESSAVG: 4146400 -25.0057 -9.72142 3.27198 -9.72134 42.6701 -52.9724 3.27193 -52.9724 -19.9917 GPRESSAVG: 4146400 -26.5463 -8.69799 3.90513 -11.7427 44.2838 -51.208 4.25448 -53.8233 -20.1544 TIMING: 4146400 CPU: 12951.9, 0.00313144/step Wall: 12951.9, 0.00313144/step, 0.742499 hours remaining, 234.976562 MB of memory in use. ENERGY: 4146400 3916.6730 20416.2903 14360.4297 239.4336 -203180.2831 2479.5255 0.0000 0.0000 51870.5211 -109897.4099 298.1006 -161767.9310 -109540.7412 297.6353 54.1509 77.6030 761920.4768 -0.7757 -0.8056 PRESSURE: 4146600 -41.9411 4.10623 -312.76 4.1064 -53.296 28.0505 -312.761 28.0502 -105.794 GPRESSURE: 4146600 -2.10424 46.2255 -309.97 -18.0505 0.544456 11.8715 -361.497 97.2251 -101.379 PRESSAVG: 4146600 -9.71911 -32.0618 -31.3613 -32.0618 8.38664 29.8265 -31.3612 29.8266 -17.9793 GPRESSAVG: 4146600 -9.13163 -32.0911 -33.0896 -30.4407 7.96946 28.2105 -30.7089 30.7692 -18.7716 TIMING: 4146600 CPU: 12952.5, 0.00313084/step Wall: 12952.5, 0.00313084/step, 0.742183 hours remaining, 234.976562 MB of memory in use. ENERGY: 4146600 3881.8958 20354.5309 14404.7398 242.4841 -203307.4682 2611.2182 0.0000 0.0000 51776.6041 -110035.9952 297.5609 -161812.5994 -109673.1950 297.6338 -67.0103 -34.3129 762062.1861 -6.4372 -6.6446 PRESSURE: 4146800 -83.6607 -80.5177 -59.9078 -80.5166 -45.6745 0.364529 -59.9079 0.364322 71.4872 GPRESSURE: 4146800 11.6453 -115.835 -32.8931 -256.353 1.69741 -8.95586 -15.8012 98.52 29.4791 PRESSAVG: 4146800 33.3828 -49.2671 -17.8673 -49.2671 -41.2174 28.1052 -17.8673 28.1052 -0.461795 GPRESSAVG: 4146800 33.3924 -51.9321 -15.6389 -50.4038 -41.0575 28.7292 -21.3633 27.5852 -0.246016 TIMING: 4146800 CPU: 12953.1, 0.00309539/step Wall: 12953.1, 0.00309539/step, 0.733608 hours remaining, 234.976562 MB of memory in use. ENERGY: 4146800 3956.7558 20413.0514 14439.0871 249.9828 -203468.5300 2820.1850 0.0000 0.0000 51540.2889 -110049.1790 296.2027 -161589.4678 -109695.0686 297.8110 -19.2827 14.2739 761919.6300 -2.7655 -2.6370 PRESSURE: 4147000 58.1273 158.33 -42.6903 158.33 -340.662 298.196 -42.6899 298.197 -164.694 GPRESSURE: 4147000 98.376 64.7509 -57.0055 222.418 -250.365 286.257 -72.399 233.46 -213.056 PRESSAVG: 4147000 66.9275 5.42278 -32.2833 5.42276 -63.8157 18.8481 -32.2833 18.8482 5.8835 GPRESSAVG: 4147000 67.0647 7.40923 -32.9071 5.4242 -65.0979 19.1276 -30.9847 18.1868 6.64794 TIMING: 4147000 CPU: 12953.7, 0.00314607/step Wall: 12953.7, 0.00314607/step, 0.745443 hours remaining, 234.976562 MB of memory in use. ENERGY: 4147000 4030.6899 20362.7742 14447.4832 242.0972 -203272.4994 2525.3785 0.0000 0.0000 51879.0494 -109785.0269 298.1496 -161664.0763 -109424.8057 297.7658 -149.0761 -121.6818 763089.6653 2.9984 2.8716 PRESSURE: 4147200 -548.446 -36.6755 -140.7 -36.6758 -105.514 -62.5919 -140.701 -62.5925 212.308 GPRESSURE: 4147200 -443.053 51.3748 -119.899 5.67409 -115.713 -49.4661 -55.0155 112.231 209.667 PRESSAVG: 4147200 25.9378 -6.25115 1.99576 -6.25112 -18.3891 60.4917 1.99579 60.4916 -10.0306 GPRESSAVG: 4147200 24.6153 -6.19248 1.12684 -5.23555 -17.635 60.4184 4.84317 60.8612 -9.89879 TIMING: 4147200 CPU: 12954.4, 0.00312254/step Wall: 12954.4, 0.00312254/step, 0.739695 hours remaining, 234.976562 MB of memory in use. ENERGY: 4147200 3939.8282 20536.9647 14452.2861 243.4168 -203187.5808 2518.2233 0.0000 0.0000 51848.5215 -109648.3402 297.9742 -161496.8617 -109286.4693 297.7887 -147.2171 -116.3665 762606.5943 -0.8273 -0.9728 PRESSURE: 4147400 0.453616 223.165 -90.2151 223.166 -63.2378 237.09 -90.2154 237.09 -20.1738 GPRESSURE: 4147400 24.0834 130.486 -176.523 194.055 57.1939 238.168 -183.146 210.347 -85.6521 PRESSAVG: 4147400 5.42297 -24.6016 -0.787501 -24.6015 -8.43755 66.4945 -0.787504 66.4944 11.9107 GPRESSAVG: 4147400 6.3557 -24.8283 -0.0365822 -24.5138 -9.14313 66.2757 -5.1644 64.0266 11.5193 TIMING: 4147400 CPU: 12955, 0.00311331/step Wall: 12955, 0.00311331/step, 0.737335 hours remaining, 234.976562 MB of memory in use. ENERGY: 4147400 3964.3164 20545.4793 14422.9089 245.1030 -203281.6020 2835.5520 0.0000 0.0000 51838.0050 -109430.2373 297.9137 -161268.2423 -109075.5395 298.4749 -27.6526 -1.4583 763569.9649 2.9654 2.9106 PRESSURE: 4147600 39.9755 -135.636 505.784 -135.636 -186.869 66.4491 505.784 66.4477 -234.21 GPRESSURE: 4147600 40.2699 -197.284 440.095 -52.5179 -122.417 31.2869 443.417 70.396 -233.835 PRESSAVG: 4147600 -2.20961 -22.6999 -20.7617 -22.6999 -15.0389 -15.4019 -20.7617 -15.4019 11.3171 GPRESSAVG: 4147600 -3.08988 -25.5858 -20.7496 -22.6841 -14.7225 -16.1683 -21.3979 -13.0968 12.5425 TIMING: 4147600 CPU: 12955.6, 0.00312331/step Wall: 12955.6, 0.00312331/step, 0.73953 hours remaining, 234.976562 MB of memory in use. ENERGY: 4147600 4007.8808 20361.3709 14400.0433 233.1440 -203425.6160 2772.5642 0.0000 0.0000 52153.5079 -109497.1050 299.7269 -161650.6129 -109129.7091 298.2389 -127.0345 -105.3272 764149.7036 -1.9771 -1.7566 PRESSURE: 4147800 -271.198 -156.861 11.9099 -156.861 -229.47 -209.675 11.91 -209.674 -60.6033 GPRESSURE: 4147800 -273.166 -127.275 -10.8509 -56.6335 -206.201 -231.482 98.3142 -172.013 6.13954 PRESSAVG: 4147800 22.189 -33.8917 13.0744 -33.8917 -3.76444 -55.411 13.0744 -55.4111 0.840171 GPRESSAVG: 4147800 23.3479 -31.8153 12.9113 -34.9532 -4.49781 -54.0027 17.5481 -55.2293 0.831873 TIMING: 4147800 CPU: 12956.2, 0.00312179/step Wall: 12956.2, 0.00312179/step, 0.738996 hours remaining, 234.976562 MB of memory in use. ENERGY: 4147800 4110.1924 20490.5459 14396.5188 249.2436 -202931.8056 2646.2885 0.0000 0.0000 51661.8722 -109377.1441 296.9015 -161039.0164 -109011.9594 298.5889 -187.0904 -157.7424 763892.4599 6.4216 6.5606 PRESSURE: 4148000 84.1336 267.173 104.655 267.174 32.4716 95.9608 104.655 95.9612 -59.841 GPRESSURE: 4148000 191.779 298.014 92.5805 197.641 -15.245 138.757 21.8171 95.0783 -39.3194 PRESSAVG: 4148000 25.0055 30.7181 23.0491 30.7181 -9.90295 -8.35322 23.0491 -8.35325 6.55097 GPRESSAVG: 4148000 24.4175 30.9299 20.5901 32.0395 -9.27082 -9.30686 23.1935 -11.0697 5.63528 TIMING: 4148000 CPU: 12956.9, 0.00312657/step Wall: 12956.9, 0.00312657/step, 0.739956 hours remaining, 234.976562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4148000 4073.4909 20469.3586 14427.4722 243.9851 -203263.4425 2644.4977 0.0000 0.0000 52116.0792 -109288.5588 299.5118 -161404.6380 -108921.8174 298.6725 18.9214 45.7381 762748.6133 7.2178 6.9273 PRESSURE: 4148200 -38.5752 -153.105 -12.401 -153.105 -467.284 -101.998 -12.4006 -101.997 -480.528 GPRESSURE: 4148200 27.8745 -275.833 -73.046 1.38826 -452.921 -66.6961 -16.7093 -119.044 -477.011 PRESSAVG: 4148200 16.568 -7.39695 26.8327 -7.39699 38.7512 10.0427 26.8327 10.0428 0.77444 GPRESSAVG: 4148200 15.5734 -7.26048 30.1003 -6.84175 40.0662 8.9051 24.3522 12.6901 0.739778 TIMING: 4148200 CPU: 12957.5, 0.00311144/step Wall: 12957.5, 0.00311144/step, 0.736202 hours remaining, 234.976562 MB of memory in use. ENERGY: 4148200 4047.0464 20500.2374 14461.4646 245.4617 -203258.6677 2536.8857 0.0000 0.0000 52078.4965 -109389.0754 299.2958 -161467.5719 -109023.5110 299.0695 -328.7955 -300.6858 762858.9448 18.6979 18.7931 LDB: ============= START OF LOAD BALANCING ============== 12970 LDB: ============== END OF LOAD BALANCING =============== 12970 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12970 LDB: ============= START OF LOAD BALANCING ============== 12970.3 LDB: Largest compute 7050 load 0.029403 is 15.1% of average load 0.195232 LDB: Average compute 0.004422 is 2.3% of average load 0.195232 LDB: TIME 12970.3 LOAD: AVG 0.195232 MAX 0.214361 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.52 MB LDB: TIME 12970.3 LOAD: AVG 0.195232 MAX 0.214361 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.523 MB LDB: TIME 12970.3 LOAD: AVG 0.195232 MAX 0.214361 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.523 MB LDB: ============== END OF LOAD BALANCING =============== 12970.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12970.3 PRESSURE: 4148400 -160.984 40.8003 8.95418 40.8005 -312.548 16.8607 8.95414 16.8607 15.5419 GPRESSURE: 4148400 -53.8726 -26.8044 -54.8404 -37.5948 -355.58 40.7707 17.9243 -3.9472 43.1306 PRESSAVG: 4148400 53.5369 2.73017 -42.4769 2.73022 -72.9784 -0.0128691 -42.4769 -0.0128058 5.00518 GPRESSAVG: 4148400 54.2081 3.3624 -44.509 1.87204 -73.9328 1.45704 -42.738 -0.872026 5.42068 TIMING: 4148400 CPU: 12958.1, 0.00317518/step Wall: 12958.1, 0.00317518/step, 0.751106 hours remaining, 234.773438 MB of memory in use. ENERGY: 4148400 4014.6532 20554.3857 14444.7053 250.3714 -203258.0442 2661.3773 0.0000 0.0000 51935.3699 -109397.1814 298.4733 -161332.5513 -109038.3445 299.1692 -152.6634 -122.1074 762274.3190 -4.8121 -4.7680 PRESSURE: 4148600 3.52222 118.593 122.264 118.593 -126.372 -123.728 122.262 -123.729 203.776 GPRESSURE: 4148600 14.82 117.338 79.3896 25.5479 -49.0094 -78.3391 69.4246 -140.892 208.638 PRESSAVG: 4148600 28.0536 -30.9276 48.8344 -30.9276 -64.374 -36.7231 48.8344 -36.723 20.1722 GPRESSAVG: 4148600 28.8757 -31.2769 49.1939 -30.4651 -65.274 -36.514 50.6001 -37.3744 20.2751 TIMING: 4148600 CPU: 12958.7, 0.00311872/step Wall: 12958.7, 0.00311872/step, 0.737576 hours remaining, 235.035156 MB of memory in use. ENERGY: 4148600 3931.9185 20572.0798 14409.8495 259.1765 -203324.0151 2843.7481 0.0000 0.0000 52090.5553 -109216.6873 299.3651 -161307.2426 -108858.7843 299.0298 26.9756 58.1496 763841.6589 -5.3827 -5.3744 PRESSURE: 4148800 42.0608 -148.602 27.2305 -148.602 140.35 -132.694 27.2307 -132.694 253.958 GPRESSURE: 4148800 119.144 -129.037 45.9992 -191.476 181.611 -72.7239 78.1518 -66.4975 205.128 PRESSAVG: 4148800 17.8727 -18.8134 16.2118 -18.8135 -27.7178 -34.9183 16.2117 -34.9183 -39.573 GPRESSAVG: 4148800 17.0246 -19.1027 17.8017 -20.4929 -27.5149 -34.5367 15.254 -34.3613 -39.4612 TIMING: 4148800 CPU: 12959.4, 0.00313179/step Wall: 12959.4, 0.00313179/step, 0.740494 hours remaining, 235.035156 MB of memory in use. ENERGY: 4148800 3946.8134 20583.6375 14466.5632 242.1572 -203393.8939 2662.4843 0.0000 0.0000 52193.9064 -109298.3319 299.9591 -161492.2383 -108932.1943 299.0368 145.4560 168.6278 763452.4498 -16.4727 -16.6505 PRESSURE: 4149000 117.096 137.962 -99.5977 137.962 -195.516 -126.998 -99.5974 -126.998 -202.455 GPRESSURE: 4149000 99.2929 14.3859 -90.3743 133.098 -100.342 -135.425 -144.264 -47.8117 -194.936 PRESSAVG: 4149000 42.7011 -12.854 -5.37184 -12.854 -7.0662 -35.1136 -5.37183 -35.1136 6.39595 GPRESSAVG: 4149000 41.0053 -14.2769 -5.37797 -10.1464 -5.13849 -33.7043 -5.31195 -36.0901 5.79354 TIMING: 4149000 CPU: 12960, 0.00315391/step Wall: 12960, 0.00315391/step, 0.74555 hours remaining, 235.035156 MB of memory in use. ENERGY: 4149000 3969.0914 20631.9487 14474.3103 230.3521 -203212.7399 2673.1674 0.0000 0.0000 51986.8759 -109246.9941 298.7693 -161233.8699 -108875.6751 299.4056 -93.6251 -65.3284 763423.4842 14.0103 13.8868 PRESSURE: 4149200 302.02 -133.414 173.589 -133.414 -103.292 81.6795 173.59 81.679 -205.606 GPRESSURE: 4149200 220.016 6.10737 153.91 -87.2289 -67.2057 110.279 142.245 41.7045 -72.536 PRESSAVG: 4149200 55.2853 12.2621 -28.339 12.2621 -94.4187 4.29632 -28.3391 4.29635 -21.38 GPRESSAVG: 4149200 55.9051 11.8631 -28.5741 11.284 -95.8105 2.13203 -27.7723 5.82916 -20.8168 TIMING: 4149200 CPU: 12960.6, 0.00313998/step Wall: 12960.6, 0.00313998/step, 0.742082 hours remaining, 235.035156 MB of memory in use. ENERGY: 4149200 4066.5587 20467.7057 14573.7222 241.3226 -203395.2708 2598.1198 0.0000 0.0000 52092.1855 -109355.6564 299.3745 -161447.8418 -108988.8118 299.1598 -2.2927 26.7582 762404.2981 -20.1712 -20.2407 PRESSURE: 4149400 -119.952 -235.339 -41.3731 -235.338 -178.86 -237.733 -41.3741 -237.734 -403.414 GPRESSURE: 4149400 -75.5125 -304.016 26.2764 -209.1 -174.203 -235.162 108.748 -143.791 -361.691 PRESSAVG: 4149400 42.7969 39.0405 -6.34475 39.0405 -56.3793 -76.9971 -6.34481 -76.9972 -8.12328 GPRESSAVG: 4149400 43.4727 41.4147 -7.42747 37.428 -57.886 -79.7154 -3.5613 -75.3656 -7.55903 TIMING: 4149400 CPU: 12961.3, 0.00315424/step Wall: 12961.3, 0.00315424/step, 0.745278 hours remaining, 235.035156 MB of memory in use. ENERGY: 4149400 4073.9126 20468.4576 14538.0337 253.5341 -203392.4705 2639.4408 0.0000 0.0000 52166.1686 -109252.9232 299.7997 -161419.0918 -108894.0686 299.1408 -234.0752 -203.8020 763422.5804 -7.2352 -7.3241 PRESSURE: 4149600 293.58 134.082 137.578 134.082 -3.99591 78.4809 137.579 78.4797 -134.139 GPRESSURE: 4149600 346.677 -8.31137 177.339 169.958 -41.5334 25.6243 38.9278 5.75082 -77.3199 PRESSAVG: 4149600 33.2672 -14.7461 16.3068 -14.7461 -27.6346 -8.94995 16.3068 -8.95 18.3307 GPRESSAVG: 4149600 33.4405 -15.5011 19.8298 -12.2145 -28.2662 -7.5673 12.585 -9.86911 18.3982 TIMING: 4149600 CPU: 12961.9, 0.00311555/step Wall: 12961.9, 0.00311555/step, 0.735962 hours remaining, 235.035156 MB of memory in use. ENERGY: 4149600 3997.7068 20491.6826 14434.6600 268.1190 -203143.7345 2617.4042 0.0000 0.0000 52155.9221 -109178.2399 299.7408 -161334.1619 -108819.7674 299.3577 51.8150 75.9413 762281.2051 7.9878 7.8575 PRESSURE: 4149800 -363.932 -71.3604 203.87 -71.3608 -68.4171 3.888 203.871 3.88884 -576.558 GPRESSURE: 4149800 -393.408 -114.991 225.759 1.6924 -19.4629 85.7233 198.903 22.8949 -527.252 PRESSAVG: 4149800 11.1866 -15.1312 9.84817 -15.1313 -40.9351 -43.6409 9.84821 -43.6409 -21.4226 GPRESSAVG: 4149800 10.8758 -15.0782 9.74047 -16.0309 -40.0825 -42.1328 10.6209 -42.9964 -21.9768 TIMING: 4149800 CPU: 12962.5, 0.00314023/step Wall: 12962.5, 0.00314023/step, 0.741619 hours remaining, 235.035156 MB of memory in use. ENERGY: 4149800 4014.3930 20407.1124 14489.8545 244.4210 -203372.6665 2746.5329 0.0000 0.0000 52103.3171 -109367.0357 299.4385 -161470.3528 -109003.6182 299.0584 -336.3022 -313.3742 763411.3478 -17.0570 -17.0612 PRESSURE: 4150000 -4.12171 -263.09 -252.865 -263.089 -43.5119 49.114 -252.864 49.1138 -184.764 GPRESSURE: 4150000 86.9356 -283.043 -312.186 -146.63 -49.6618 49.6799 -156.586 2.31937 -183.539 PRESSAVG: 4150000 4.90952 -10.3445 -25.7518 -10.3445 -77.2737 -10.4107 -25.7518 -10.4106 -13.3546 GPRESSAVG: 4150000 4.5113 -9.11032 -27.3087 -11.0987 -76.4041 -9.53916 -26.1703 -11.1848 -13.5009 TIMING: 4150000 CPU: 12963.1, 0.00314152/step Wall: 12963.1, 0.00314152/step, 0.741748 hours remaining, 235.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4150000 3902.9478 20581.2616 14469.0643 251.5981 -203033.9535 2585.9855 0.0000 0.0000 52089.9223 -109153.1740 299.3615 -161243.0963 -108804.6029 298.8517 -77.4658 -48.7550 764288.4412 -28.5729 -28.4646 PRESSURE: 4150200 -250.057 -178.897 11.6283 -178.896 -66.7151 -57.9685 11.6288 -57.968 -110.074 GPRESSURE: 4150200 -237.887 -217.937 -56.6845 -203.223 -49.0394 -89.6158 84.2075 66.5429 -60.6541 PRESSAVG: 4150200 80.8584 5.25907 -19.9133 5.25909 -71.3606 -24.9272 -19.9133 -24.9273 4.18982 GPRESSAVG: 4150200 80.1791 4.35569 -22.6468 5.81346 -71.6102 -25.8046 -16.8262 -26.2693 4.9316 TIMING: 4150200 CPU: 12963.8, 0.00313833/step Wall: 12963.8, 0.00313833/step, 0.74082 hours remaining, 235.101562 MB of memory in use. ENERGY: 4150200 3984.9208 20531.6094 14417.4779 251.3099 -203363.6645 2880.6788 0.0000 0.0000 51955.5649 -109342.1029 298.5893 -161297.6678 -108980.1700 299.2245 -142.2822 -115.8602 764624.2735 4.5625 4.5002 PRESSURE: 4150400 138.368 206.762 -41.1296 206.762 22.5476 107.948 -41.1298 107.949 180.391 GPRESSURE: 4150400 223.341 154.341 -34.0073 161.966 17.8036 30.1355 -171.496 252.441 197.992 PRESSAVG: 4150400 15.2402 -15.6557 -30.2686 -15.6558 23.9279 11.9661 -30.2686 11.9662 -6.02642 GPRESSAVG: 4150400 15.9764 -16.8217 -28.6802 -14.6882 23.1206 12.1397 -32.7813 15.685 -5.97595 TIMING: 4150400 CPU: 12964.4, 0.00312782/step Wall: 12964.4, 0.00312782/step, 0.738166 hours remaining, 235.101562 MB of memory in use. ENERGY: 4150400 3916.0638 20416.5479 14502.7680 239.1916 -203390.4867 2850.1177 0.0000 0.0000 52030.5067 -109435.2910 299.0200 -161465.7977 -109076.6895 298.3046 113.7688 146.3787 762965.7539 11.0472 11.0404 PRESSURE: 4150600 -35.8007 70.6458 -118.608 70.6462 -123.757 42.8483 -118.608 42.8482 -255.506 GPRESSURE: 4150600 15.7191 -22.9154 -70.4047 21.4288 -100.342 65.2643 -162.187 -12.5139 -250.292 PRESSAVG: 4150600 37.388 36.5 5.38502 36.4999 -22.863 -6.56656 5.38495 -6.56653 24.0368 GPRESSAVG: 4150600 36.4458 36.6397 5.73575 34.6453 -21.6525 -5.12055 4.97387 -8.58157 23.7433 TIMING: 4150600 CPU: 12965, 0.00312012/step Wall: 12965, 0.00312012/step, 0.736175 hours remaining, 235.281250 MB of memory in use. ENERGY: 4150600 3919.9207 20564.3227 14457.3007 229.5847 -202854.0923 2684.1742 0.0000 0.0000 51724.6954 -109274.0938 297.2625 -160998.7891 -108909.5895 298.9642 -138.3544 -111.6383 762947.4855 12.8539 12.8455 PRESSURE: 4150800 -24.4276 -20.3733 -148.116 -20.3725 8.46805 -39.0724 -148.116 -39.0707 -287.983 GPRESSURE: 4150800 -24.957 -28.8861 -86.0757 -9.51554 52.736 44.7455 -143.708 -77.9181 -264.176 PRESSAVG: 4150800 108.362 12.5849 -29.7521 12.5849 -106.747 0.743466 -29.752 0.743429 -18.9073 GPRESSAVG: 4150800 109.526 13.3402 -28.8292 14.3293 -107.643 0.590068 -30.5413 -1.59544 -19.0897 TIMING: 4150800 CPU: 12965.6, 0.00312381/step Wall: 12965.6, 0.00312381/step, 0.736872 hours remaining, 235.304688 MB of memory in use. ENERGY: 4150800 4031.7341 20448.4168 14405.0897 234.2870 -203029.8587 2699.5838 0.0000 0.0000 51947.2363 -109263.5110 298.5415 -161210.7473 -108906.5275 298.8333 -101.3141 -78.7990 763693.9103 -5.7642 -5.7357 PRESSURE: 4151000 -146.718 -67.0596 -85.1378 -67.059 -158.475 -41.6782 -85.1362 -41.6774 -5.44406 GPRESSURE: 4151000 -135.439 -124.28 -66.7777 18.4997 -169.306 -15.5345 -157.894 -70.1188 41.9644 PRESSAVG: 4151000 112.313 1.77177 -38.6533 1.77172 -77.8782 36.0741 -38.6533 36.0741 23.8918 GPRESSAVG: 4151000 112.204 2.2072 -40.2411 2.51304 -78.2082 34.0902 -36.4028 37.6828 24.1494 TIMING: 4151000 CPU: 12966.3, 0.00312595/step Wall: 12966.3, 0.00312595/step, 0.737203 hours remaining, 235.304688 MB of memory in use. ENERGY: 4151000 3952.4774 20559.5892 14472.5906 247.2772 -203273.0736 2674.8210 0.0000 0.0000 52164.4081 -109201.9101 299.7896 -161366.3182 -108836.6751 299.2224 -103.5459 -87.5937 763340.6456 19.4421 19.3816 PRESSURE: 4151200 -50.9854 -184.541 -42.1419 -184.541 388.259 -36.5371 -42.1426 -36.5363 -6.08809 GPRESSURE: 4151200 63.1178 -56.0516 -57.7509 -91.0131 364.917 -47.0908 7.69798 100.886 10.1763 PRESSAVG: 4151200 44.1838 31.9457 -13.3672 31.9458 -56.2143 -10.9765 -13.3671 -10.9766 18.2389 GPRESSAVG: 4151200 45.288 29.8549 -13.2859 33.267 -54.9953 -10.9087 -13.6835 -9.94335 17.1142 TIMING: 4151200 CPU: 12966.9, 0.00313051/step Wall: 12966.9, 0.00313051/step, 0.738105 hours remaining, 235.304688 MB of memory in use. ENERGY: 4151200 4014.2702 20513.4382 14446.4331 246.6946 -203384.9945 3036.1608 0.0000 0.0000 51843.5925 -109284.4052 297.9458 -161127.9977 -108926.0577 299.2007 110.3952 146.0703 762817.2372 2.0695 2.4689 PRESSURE: 4151400 306.943 -132.067 -58.3278 -132.066 -496.16 25.6355 -58.3278 25.6347 -83.5109 GPRESSURE: 4151400 346.024 -258.277 -22.3019 -12.9553 -407.761 23.8763 -46.6587 56.8969 -119.633 PRESSAVG: 4151400 43.4487 66.1026 -20.0527 66.1026 0.716836 -35.1389 -20.0527 -35.1389 15.898 GPRESSAVG: 4151400 42.609 67.4997 -19.4944 65.6993 -0.359551 -34.2767 -20.2258 -36.5614 17.85 TIMING: 4151400 CPU: 12967.5, 0.00312394/step Wall: 12967.5, 0.00312394/step, 0.736383 hours remaining, 235.304688 MB of memory in use. ENERGY: 4151400 4012.0786 20593.9176 14501.6798 242.0705 -203433.1535 2761.5795 0.0000 0.0000 52004.2716 -109317.5560 298.8693 -161321.8276 -108960.0709 299.0209 -90.9093 -60.4566 762925.6289 20.0212 20.0332 PRESSURE: 4151600 -177.707 -140.114 231.325 -140.114 100.681 203.027 231.325 203.028 305.485 GPRESSURE: 4151600 -180.967 -65.3075 171.73 -125.187 188.665 220.767 210.297 43.4007 294.452 PRESSAVG: 4151600 -38.2152 35.6888 31.172 35.6888 22.2389 -10.6989 31.172 -10.6989 0.801796 GPRESSAVG: 4151600 -39.0054 35.7953 31.1489 36.0489 23.8292 -10.3323 32.4181 -9.47832 -0.000782506 TIMING: 4151600 CPU: 12968.1, 0.00313584/step Wall: 12968.1, 0.00313584/step, 0.739013 hours remaining, 235.304688 MB of memory in use. ENERGY: 4151600 3999.2820 20649.8506 14477.9840 245.9066 -203094.2751 2670.6319 0.0000 0.0000 51967.9197 -109082.7002 298.6603 -161050.6199 -108722.3696 299.3768 76.1529 100.7167 765216.3639 -5.0582 -5.0590 PRESSURE: 4151800 238.574 -42.9039 -37.8703 -42.9045 -13.91 74.67 -37.8699 74.6711 -209.714 GPRESSURE: 4151800 304.364 -75.5178 -69.6385 -74.5089 4.41679 57.5836 -127.525 122.247 -222.514 PRESSAVG: 4151800 37.4803 -55.4829 14.4679 -55.4829 -63.7265 -8.89293 14.4678 -8.89288 -27.0017 GPRESSAVG: 4151800 37.5211 -55.8866 15.0483 -56.9862 -64.5604 -9.02635 12.331 -9.89061 -26.3961 TIMING: 4151800 CPU: 12968.8, 0.00313461/step Wall: 12968.8, 0.00313461/step, 0.738548 hours remaining, 235.304688 MB of memory in use. ENERGY: 4151800 4055.5020 20372.9294 14453.3916 248.9436 -203473.6265 3012.8236 0.0000 0.0000 52102.0037 -109228.0326 299.4309 -161330.0363 -108863.2684 299.4157 4.9834 28.7554 763280.2235 -17.7493 -17.8118 PRESSURE: 4152000 -34.439 -104.362 -1.13436 -104.361 184.053 5.11809 -1.13524 5.11835 397.91 GPRESSURE: 4152000 -15.8487 -53.7169 47.8816 -78.6827 210.448 29.8514 -79.7566 -115.074 434.124 PRESSAVG: 4152000 35.113 -29.0095 7.80944 -29.0095 -10.3201 -5.52411 7.80946 -5.5241 32.2551 GPRESSAVG: 4152000 36.4642 -27.5189 7.38862 -30.301 -9.58654 -6.10303 8.26448 -6.01492 30.5966 TIMING: 4152000 CPU: 12969.4, 0.00312753/step Wall: 12969.4, 0.00312753/step, 0.736708 hours remaining, 235.304688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4152000 3983.2984 20440.1805 14427.2071 249.4310 -203497.8090 3086.3299 0.0000 0.0000 52141.8807 -109169.4815 299.6601 -161311.3622 -108805.1901 299.4119 182.5081 209.5743 762112.1476 19.0160 19.1581 PRESSURE: 4152200 367.81 67.2406 205.669 67.2409 510.98 67.3283 205.668 67.3283 93.8409 GPRESSURE: 4152200 405.769 116.296 314.838 114.618 552.118 44.6178 184.243 125.15 105.083 PRESSAVG: 4152200 12.2189 5.08091 14.7296 5.08083 8.72932 -18.647 14.7295 -18.6469 -6.52454 GPRESSAVG: 4152200 11.3728 2.91923 12.8284 6.04819 8.17784 -18.3132 17.4418 -20.007 -5.2448 TIMING: 4152200 CPU: 12970, 0.00313859/step Wall: 12970, 0.00313859/step, 0.739138 hours remaining, 235.304688 MB of memory in use. ENERGY: 4152200 3998.2652 20542.9391 14494.0944 243.2894 -203827.5901 3308.1197 0.0000 0.0000 51926.6635 -109314.2188 298.4232 -161240.8823 -108961.5219 299.1964 324.2102 354.3234 761814.9096 4.8079 4.7686 LDB: ============= START OF LOAD BALANCING ============== 12982.5 LDB: ============== END OF LOAD BALANCING =============== 12982.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12982.5 LDB: ============= START OF LOAD BALANCING ============== 12982.8 LDB: Largest compute 7048 load 0.029123 is 14.9% of average load 0.195327 LDB: Average compute 0.004406 is 2.3% of average load 0.195327 LDB: TIME 12982.8 LOAD: AVG 0.195327 MAX 0.217842 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.238 MB LDB: TIME 12982.8 LOAD: AVG 0.195327 MAX 0.217842 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.238 MB LDB: TIME 12982.8 LOAD: AVG 0.195327 MAX 0.217842 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.238 MB LDB: ============== END OF LOAD BALANCING =============== 12982.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12982.8 PRESSURE: 4152400 21.3472 -57.9581 -280.217 -57.9588 168.228 73.9331 -280.217 73.9331 124.069 GPRESSURE: 4152400 107.183 60.4163 -265.547 -61.0793 140.654 72.3207 -282.14 156.514 149.301 PRESSAVG: 4152400 3.42595 42.0238 36.9562 42.0238 21.1155 -1.2117 36.9562 -1.21163 2.31227 GPRESSAVG: 4152400 3.66035 43.9975 39.4792 42.4513 21.0888 -0.759564 34.2203 0.80848 1.85871 TIMING: 4152400 CPU: 12970.7, 0.00319412/step Wall: 12970.7, 0.00319412/step, 0.752037 hours remaining, 235.031250 MB of memory in use. ENERGY: 4152400 3979.1823 20429.5366 14462.8214 229.0061 -203241.3714 2881.5454 0.0000 0.0000 51935.1903 -109324.0893 298.4723 -161259.2796 -108957.8606 298.4792 104.5482 132.3796 763187.0575 8.9512 8.8693 PRESSURE: 4152600 -117.965 24.4128 -112.774 24.4122 -327.186 96.2064 -112.773 96.2068 -643.902 GPRESSURE: 4152600 -127.023 78.4352 -137.651 -12.3348 -239.347 60.0222 -115.94 47.574 -649.446 PRESSAVG: 4152600 51.389 -36.3608 -33.4246 -36.3608 6.13605 -65.1221 -33.4247 -65.1221 -23.7362 GPRESSAVG: 4152600 51.0027 -38.1803 -34.5291 -35.4071 5.44056 -65.0467 -30.9867 -65.4149 -23.3561 TIMING: 4152600 CPU: 12971.3, 0.00313085/step Wall: 12971.3, 0.00313085/step, 0.736966 hours remaining, 235.289062 MB of memory in use. ENERGY: 4152600 4005.8774 20549.0710 14426.9504 234.3587 -203319.3259 2967.0032 0.0000 0.0000 51831.2201 -109304.8452 297.8747 -161136.0653 -108943.3410 298.6006 -363.0179 -338.6053 764243.5258 11.2629 11.0291 PRESSURE: 4152800 77.7585 133.609 56.9576 133.609 -125.897 171.713 56.9582 171.714 10.1663 GPRESSURE: 4152800 62.4669 44.4118 64.7928 142.176 -68.3505 110.028 40.4033 178.828 66.9438 PRESSAVG: 4152800 -36.3855 -19.9245 -58.9288 -19.9245 54.5534 25.9482 -58.9287 25.9482 5.19619 GPRESSAVG: 4152800 -36.4795 -20.7675 -57.1029 -19.899 55.2316 25.3093 -61.6281 25.4952 4.25478 TIMING: 4152800 CPU: 12971.9, 0.0031073/step Wall: 12971.9, 0.0031073/step, 0.731252 hours remaining, 235.562500 MB of memory in use. ENERGY: 4152800 3967.6547 20424.3315 14438.4174 228.6594 -203152.8119 2756.7500 0.0000 0.0000 52142.2365 -109194.7625 299.6621 -161336.9990 -108839.8861 299.2725 -12.6573 20.3534 762370.5082 7.7880 7.6690 PRESSURE: 4153000 -205.225 178.339 49.2486 178.34 -403.777 -81.584 49.2486 -81.5848 122.846 GPRESSURE: 4153000 -205.154 106.217 57.886 178.607 -368.795 -61.1566 92.1441 -39.848 175.847 PRESSAVG: 4153000 68.0844 -6.39902 -16.7751 -6.39904 -66.0152 -13.4369 -16.7751 -13.4369 16.7174 GPRESSAVG: 4153000 68.6581 -3.99273 -18.4303 -8.27661 -66.4016 -11.8278 -17.3568 -13.0559 16.383 TIMING: 4153000 CPU: 12972.5, 0.00313619/step Wall: 12972.5, 0.00313619/step, 0.737876 hours remaining, 235.562500 MB of memory in use. ENERGY: 4153000 4021.8936 20376.8001 14418.0902 235.9483 -202923.7060 2564.5494 0.0000 0.0000 52219.9181 -109086.5063 300.1086 -161306.4244 -108725.1565 299.6208 -162.0520 -132.7007 764284.5330 6.2622 6.2132 PRESSURE: 4153200 -19.2406 46.0936 -98.7338 46.0942 -117.525 -82.7179 -98.734 -82.7161 -24.9257 GPRESSURE: 4153200 14.2207 29.3887 -73.8326 127.322 -53.8016 -60.9588 -38.7635 -170.771 -31.364 PRESSAVG: 4153200 27.5369 -11.2691 20.0996 -11.269 -74.2096 -9.23502 20.0996 -9.23498 -1.83598 GPRESSAVG: 4153200 27.0585 -10.9566 21.5686 -11.1059 -73.7953 -11.8384 21.8561 -7.66919 -1.66722 TIMING: 4153200 CPU: 12973.2, 0.00311301/step Wall: 12973.2, 0.00311301/step, 0.732249 hours remaining, 235.562500 MB of memory in use. ENERGY: 4153200 4035.6261 20371.9725 14426.4027 246.6326 -202827.0689 2499.6438 0.0000 0.0000 52001.3246 -109245.4666 298.8523 -161246.7912 -108895.5981 299.0728 -53.8973 -23.6483 762948.5625 -16.1696 -16.1347 PRESSURE: 4153400 10.7395 117.993 40.085 117.993 -197.267 177.35 40.0853 177.35 298.097 GPRESSURE: 4153400 -35.0951 34.7201 -26.6123 130.268 -85.7414 84.1472 55.7048 247.985 303.883 PRESSAVG: 4153400 58.964 36.8923 28.1336 36.8922 -64.0513 19.5091 28.1336 19.5091 14.6429 GPRESSAVG: 4153400 59.7031 34.5282 25.8348 37.7999 -63.216 21.0679 26.6966 18.1674 12.9361 TIMING: 4153400 CPU: 12973.8, 0.00311607/step Wall: 12973.8, 0.00311607/step, 0.732796 hours remaining, 235.562500 MB of memory in use. ENERGY: 4153400 4017.5173 20488.4514 14432.7633 239.8276 -203213.7786 2843.0823 0.0000 0.0000 52059.2433 -109132.8933 299.1852 -161192.1367 -108785.9978 299.1951 37.1900 61.0155 762659.1341 3.1852 3.1410 PRESSURE: 4153600 -3.99703 293.848 -337.975 293.848 287.884 -29.3922 -337.974 -29.3927 253.666 GPRESSURE: 4153600 76.6325 209.804 -409.709 335.902 300.343 12.6655 -172.956 3.4123 250.017 PRESSAVG: 4153600 12.7086 -15.9504 59.9834 -15.9504 -34.6766 -18.2892 59.9833 -18.2892 -4.53108 GPRESSAVG: 4153600 13.2116 -14.6204 60.3502 -16.1531 -35.5307 -18.0011 62.629 -18.9612 -3.79923 TIMING: 4153600 CPU: 12974.4, 0.00312685/step Wall: 12974.4, 0.00312685/step, 0.735158 hours remaining, 235.562500 MB of memory in use. ENERGY: 4153600 3924.0831 20380.4666 14478.4409 246.4576 -202865.0513 2715.9330 0.0000 0.0000 52191.3893 -108928.2809 299.9446 -161119.6701 -108571.9527 299.3625 179.1842 208.9974 762624.0325 -8.8330 -8.7061 PRESSURE: 4153800 -56.9456 19.3433 -185.721 19.3439 -198.172 -102.769 -185.722 -102.769 -170.586 GPRESSURE: 4153800 -12.8802 138.645 -115.878 35.8497 -214.162 -119.32 -218.958 -145.688 -121.434 PRESSAVG: 4153800 84.9182 -33.6812 42.9992 -33.6812 -57.465 -48.0401 42.9992 -48.0401 8.91286 GPRESSAVG: 4153800 83.0089 -31.1987 43.0171 -34.6448 -56.4984 -47.998 41.4019 -48.8852 10.0189 TIMING: 4153800 CPU: 12975, 0.00310487/step Wall: 12975, 0.00310487/step, 0.729818 hours remaining, 235.562500 MB of memory in use. ENERGY: 4153800 4028.9688 20312.3974 14523.4071 254.0513 -203153.7076 2762.5645 0.0000 0.0000 52167.9323 -109104.3863 299.8098 -161272.3186 -108741.6676 299.2650 -141.9014 -116.1589 762871.4977 12.1220 12.1765 PRESSURE: 4154000 -449.762 -110.514 82.3078 -110.514 -390.306 312.955 82.3069 312.954 -614.023 GPRESSURE: 4154000 -435.408 -67.7113 207.282 -114.363 -412.462 241.089 192.85 159.284 -530.67 PRESSAVG: 4154000 35.5118 -16.4923 41.0574 -16.4923 -22.4776 -22.5696 41.0573 -22.5695 -13.2362 GPRESSAVG: 4154000 37.1051 -20.1262 40.9994 -14.8585 -23.8394 -23.1763 40.5828 -21.8636 -14.0134 TIMING: 4154000 CPU: 12975.7, 0.0031403/step Wall: 12975.7, 0.0031403/step, 0.737969 hours remaining, 235.562500 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: 4154000 4082.4046 20298.5176 14451.2116 259.3200 -202765.1839 2403.0255 0.0000 0.0000 52189.7885 -109080.9162 299.9354 -161270.7047 -108720.3640 299.6301 -484.6969 -459.5134 763699.9702 -0.0673 -0.2492 PRESSURE: 4154200 94.1272 -48.7132 26.2918 -48.714 -54.7995 2.03019 26.2911 2.03003 379.977 GPRESSURE: 4154200 79.7999 14.2657 1.95903 -33.4515 -9.8184 63.2735 -59.6025 12.7496 437.127 PRESSAVG: 4154200 51.9986 -0.844235 -42.8021 -0.84426 -68.3421 36.2266 -42.8021 36.2267 2.01039 GPRESSAVG: 4154200 51.537 -0.189562 -41.8516 -0.900738 -67.9783 36.2259 -42.5709 36.9992 2.51707 TIMING: 4154200 CPU: 12976.3, 0.00314483/step Wall: 12976.3, 0.00314483/step, 0.738861 hours remaining, 235.562500 MB of memory in use. ENERGY: 4154200 3958.7125 20395.3137 14451.9897 250.7572 -203177.7865 2577.4613 0.0000 0.0000 52268.2978 -109275.2543 300.3866 -161543.5522 -108909.7421 299.6188 139.7684 169.0362 761735.1499 -4.7777 -4.6414 PRESSURE: 4154400 95.7213 -99.6221 -87.2745 -99.6218 100.875 -114.903 -87.2743 -114.902 -236.9 GPRESSURE: 4154400 147.475 -109.028 -133.54 -81.9314 94.8302 -151.991 -119.703 -95.7413 -192.991 PRESSAVG: 4154400 50.3533 5.09718 -8.68099 5.09718 -62.9699 11.5742 -8.68099 11.5743 17.0923 GPRESSAVG: 4154400 49.6963 6.38688 -8.31136 5.38313 -62.9651 10.1694 -8.2909 12.8847 17.7304 TIMING: 4154400 CPU: 12976.9, 0.00314955/step Wall: 12976.9, 0.00314955/step, 0.739794 hours remaining, 235.562500 MB of memory in use. ENERGY: 4154400 3983.9778 20527.7727 14469.9155 241.9645 -203354.9039 2853.7363 0.0000 0.0000 52069.0534 -109208.4837 299.2416 -161277.5371 -108855.8151 299.1800 -13.4346 16.4382 762849.7162 1.4919 1.4872 PRESSURE: 4154600 290.579 226.164 -54.3781 226.165 -179.814 -74.6964 -54.3778 -74.6955 -202.067 GPRESSURE: 4154600 264.667 330.556 -42.263 154.226 -164.467 -45.2668 7.94375 -30.7132 -121.877 PRESSAVG: 4154600 42.2819 -5.71845 -4.95479 -5.71845 -46.9613 -8.43724 -4.95474 -8.43724 6.98349 GPRESSAVG: 4154600 42.1547 -6.49864 -5.02815 -7.73368 -47.3209 -6.98274 -5.95591 -8.90708 7.336 TIMING: 4154600 CPU: 12977.5, 0.00312887/step Wall: 12977.5, 0.00312887/step, 0.734764 hours remaining, 235.562500 MB of memory in use. ENERGY: 4154600 3918.0288 20558.9082 14384.4603 243.5742 -203171.3161 2663.8902 0.0000 0.0000 52067.9660 -109334.4883 299.2353 -161402.4543 -108971.8471 299.5692 -30.4338 -7.2258 763420.9021 0.7680 0.7233 PRESSURE: 4154800 42.1073 -87.0484 28.7436 -87.0483 310.247 -93.7283 28.7435 -93.7285 -1.82404 GPRESSURE: 4154800 -32.5925 -70.6647 -52.5269 -39.149 351.018 -70.4645 140.179 4.33577 116.884 PRESSAVG: 4154800 32.7708 9.82086 -9.28619 9.82082 -60.8747 4.42707 -9.28621 4.42721 -3.19279 GPRESSAVG: 4154800 31.0501 9.72938 -8.93493 12.2073 -59.6581 4.36033 -8.1071 5.20384 -3.25456 TIMING: 4154800 CPU: 12978.2, 0.00314563/step Wall: 12978.2, 0.00314563/step, 0.738524 hours remaining, 235.562500 MB of memory in use. ENERGY: 4154800 3964.4021 20418.8390 14434.8388 250.3117 -203187.8789 2647.7461 0.0000 0.0000 51935.3255 -109536.4158 298.4730 -161471.7413 -109177.2480 299.0748 116.8434 145.1032 763122.0060 -10.4323 -10.6208 PRESSURE: 4155000 -265.724 14.3651 49.823 14.3652 -324.929 261.529 49.8228 261.529 -96.6369 GPRESSURE: 4155000 -144.287 -11.932 29.6112 136.853 -392.214 254.184 35.3468 114.851 -74.0361 PRESSAVG: 4155000 27.6495 18.0795 18.5856 18.0796 35.7619 3.79385 18.5857 3.7938 6.93602 GPRESSAVG: 4155000 28.6222 18.3297 18.0427 17.0174 35.588 2.53071 18.1684 2.75829 6.10186 TIMING: 4155000 CPU: 12978.8, 0.00314272/step Wall: 12978.8, 0.00314272/step, 0.737666 hours remaining, 235.562500 MB of memory in use. ENERGY: 4155000 4018.2685 20543.8244 14431.7031 243.8273 -203116.7387 2590.2118 0.0000 0.0000 51847.7006 -109441.2030 297.9694 -161288.9035 -109091.4184 299.1688 -229.0967 -203.5126 764579.7278 23.4492 23.4374 PRESSURE: 4155200 -218.508 76.9575 101.68 76.9569 -306.239 159.547 101.68 159.547 -314.867 GPRESSURE: 4155200 -133.193 17.1574 84.5018 35.1664 -255.188 82.645 217.148 177.435 -371.499 PRESSAVG: 4155200 31.5407 -13.9701 12.886 -13.97 -97.966 53.4037 12.886 53.4037 -6.97831 GPRESSAVG: 4155200 32.5121 -13.7436 12.8349 -13.284 -97.8772 53.6079 11.4184 53.7255 -8.85684 TIMING: 4155200 CPU: 12979.4, 0.00311018/step Wall: 12979.4, 0.00311018/step, 0.729856 hours remaining, 235.562500 MB of memory in use. ENERGY: 4155200 3943.7719 20633.8614 14367.4544 251.7227 -202794.8737 2324.2952 0.0000 0.0000 51910.2446 -109363.5235 298.3289 -161273.7681 -109008.0423 298.8680 -279.8711 -253.2934 762668.8083 -24.4679 -24.7406 PRESSURE: 4155400 -45.1883 -35.6103 -79.7385 -35.6099 -498.605 180.149 -79.7384 180.149 -260.76 GPRESSURE: 4155400 12.6157 22.0188 -77.9454 21.5616 -459.714 100.238 -69.0725 291.982 -252.999 PRESSAVG: 4155400 72.6685 -65.7767 20.5901 -65.7766 -38.4334 -15.0923 20.5902 -15.0924 4.66641 GPRESSAVG: 4155400 71.8773 -67.4973 19.7161 -66.1852 -38.4531 -15.2433 20.4819 -14.8664 6.7916 TIMING: 4155400 CPU: 12980.1, 0.00313471/step Wall: 12980.1, 0.00313471/step, 0.735437 hours remaining, 235.562500 MB of memory in use. ENERGY: 4155400 4006.6570 20418.6163 14477.5711 261.2330 -203264.6108 2774.2276 0.0000 0.0000 51989.7424 -109336.5634 298.7858 -161326.3058 -108977.1733 299.0909 -268.1846 -233.3657 762399.7558 12.9672 13.4052 PRESSURE: 4155600 -123.907 -103.56 230.355 -103.561 -481.678 -132.605 230.355 -132.605 211.734 GPRESSURE: 4155600 -93.3707 -45.5041 210.111 -101.865 -431.254 -114.412 96.2024 -208.517 207.421 PRESSAVG: 4155600 54.503 -16.7916 48.8182 -16.7917 -30.61 1.78514 48.8183 1.78514 2.75065 GPRESSAVG: 4155600 55.5533 -15.9755 48.1599 -14.8844 -31.6879 1.97587 50.7289 -0.888337 2.75543 TIMING: 4155600 CPU: 12980.7, 0.00314303/step Wall: 12980.7, 0.00314303/step, 0.737216 hours remaining, 235.562500 MB of memory in use. ENERGY: 4155600 4020.0763 20419.6737 14464.5117 230.6702 -203354.2420 2784.2735 0.0000 0.0000 52022.3198 -109412.7167 298.9730 -161435.0365 -109051.9118 298.7574 -131.2839 -105.7348 762434.5702 8.8812 8.8736 PRESSURE: 4155800 222.5 5.16911 146.649 5.16924 -63.8044 182.96 146.65 182.96 -168.251 GPRESSURE: 4155800 212.258 -35.8529 35.7144 -7.5388 -12.2937 216.081 199.166 90.2995 -128.794 PRESSAVG: 4155800 46.0456 25.6194 -7.92937 25.6194 -66.6697 21.9414 -7.92938 21.9414 -4.1646 GPRESSAVG: 4155800 45.1952 24.7121 -6.82141 24.5599 -66.1177 23.0995 -8.76372 21.9405 -3.4268 TIMING: 4155800 CPU: 12981.3, 0.00314705/step Wall: 12981.3, 0.00314705/step, 0.737982 hours remaining, 235.562500 MB of memory in use. ENERGY: 4155800 3998.5830 20388.4437 14459.1747 253.8032 -203400.6378 2736.2942 0.0000 0.0000 51985.7448 -109578.5942 298.7628 -161564.3390 -109217.4481 298.2152 -3.1852 23.7234 761405.8628 -8.2629 -8.1164 PRESSURE: 4156000 -145.858 -70.2117 42.753 -70.2119 43.6292 7.48743 42.7527 7.48801 131.325 GPRESSURE: 4156000 -110.82 72.7866 -9.69032 -5.17549 70.4798 57.0117 -36.7354 -4.55647 138.506 PRESSAVG: 4156000 29.8038 -4.43664 43.0154 -4.43665 -31.74 5.28476 43.0154 5.28469 15.6398 GPRESSAVG: 4156000 30.367 -2.46952 42.0008 -4.11483 -32.1261 3.64618 42.8478 7.05478 15.7039 TIMING: 4156000 CPU: 12981.9, 0.0031358/step Wall: 12981.9, 0.0031358/step, 0.73517 hours remaining, 235.562500 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: 4156000 3984.9378 20610.9792 14447.9218 239.1964 -203292.2501 2764.1625 0.0000 0.0000 51960.5963 -109284.4560 298.6183 -161245.0523 -108932.3381 298.6536 9.6987 32.7219 761650.6567 4.5679 4.6483 PRESSURE: 4156200 93.617 -128.218 -63.5335 -128.219 -109.844 -274.813 -63.5338 -274.812 -17.2722 GPRESSURE: 4156200 115.681 -107.923 -109.775 -122.31 -30.9103 -297.6 79.5646 -175.066 -28.3075 PRESSAVG: 4156200 -0.686756 -32.3431 -6.89024 -32.3432 11.011 13.6849 -6.89024 13.685 24.2598 GPRESSAVG: 4156200 -1.01617 -32.9462 -4.97729 -34.7566 11.8031 15.32 -6.71405 13.4724 23.6497 TIMING: 4156200 CPU: 12982.6, 0.00312153/step Wall: 12982.6, 0.00312153/step, 0.731652 hours remaining, 235.562500 MB of memory in use. ENERGY: 4156200 3964.7142 20677.2366 14429.1532 257.5392 -203798.4133 2867.6771 0.0000 0.0000 52263.4873 -109338.6057 300.3590 -161602.0930 -108987.3201 299.2115 -11.1663 18.8210 762126.3308 11.5280 11.4789 LDB: ============= START OF LOAD BALANCING ============== 12995 LDB: ============== END OF LOAD BALANCING =============== 12995 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12995 LDB: ============= START OF LOAD BALANCING ============== 12995.3 LDB: Largest compute 7029 load 0.028953 is 14.8% of average load 0.195197 LDB: Average compute 0.004420 is 2.3% of average load 0.195197 LDB: TIME 12995.4 LOAD: AVG 0.195197 MAX 0.216574 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.262 MB LDB: TIME 12995.4 LOAD: AVG 0.195197 MAX 0.216574 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.461 MB LDB: TIME 12995.4 LOAD: AVG 0.195197 MAX 0.216574 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.461 MB LDB: ============== END OF LOAD BALANCING =============== 12995.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12995.4 PRESSURE: 4156400 -82.2711 -104.095 -130.382 -104.096 113.189 -139.424 -130.382 -139.424 -392.843 GPRESSURE: 4156400 -63.6337 -137.248 -203.025 -88.2567 123.083 -156.686 7.69414 -195.473 -309.359 PRESSAVG: 4156400 25.379 -57.0724 47.3213 -57.0724 -26.399 -4.69675 47.3213 -4.69676 -18.3296 GPRESSAVG: 4156400 26.2292 -58.0768 46.3298 -54.2017 -26.6211 -4.88973 47.4209 -4.36297 -18.6256 TIMING: 4156400 CPU: 12983.2, 0.00317939/step Wall: 12983.2, 0.00317939/step, 0.745037 hours remaining, 235.031250 MB of memory in use. ENERGY: 4156400 4023.4719 20433.4712 14396.3712 254.0799 -203601.8718 3077.5834 0.0000 0.0000 51881.0230 -109535.8713 298.1610 -161416.8943 -109169.1432 298.8601 -120.6417 -83.3031 762801.8364 -6.4498 -6.3392 PRESSURE: 4156600 -44.0828 -36.7845 12.5231 -36.7842 -73.7529 196.043 12.5231 196.043 -197.222 GPRESSURE: 4156600 -5.8539 -24.376 44.6808 -79.1874 -79.9823 94.5182 102.646 152.774 -133.99 PRESSAVG: 4156600 11.8146 -38.8327 -8.84472 -38.8327 -17.6755 -6.70932 -8.84471 -6.70929 -1.46722 GPRESSAVG: 4156600 12.418 -36.4099 -7.83593 -40.916 -18.2433 -8.33121 -11.0307 -5.55266 -2.18842 TIMING: 4156600 CPU: 12983.8, 0.00311109/step Wall: 12983.8, 0.00311109/step, 0.728859 hours remaining, 235.078125 MB of memory in use. ENERGY: 4156600 3996.7964 20385.8942 14446.8038 258.9557 -203272.4395 2602.9806 0.0000 0.0000 52051.6316 -109529.3772 299.1414 -161581.0088 -109154.9069 298.7829 -105.0191 -73.2754 762124.3944 -2.4427 -2.6713 PRESSURE: 4156800 -37.5834 -69.0685 200.252 -69.0703 -96.3784 -68.7924 200.253 -68.7919 8.31203 GPRESSURE: 4156800 -25.2421 -69.6257 133.688 -88.2805 -29.3132 -3.47006 184.496 5.31432 -4.934 PRESSAVG: 4156800 2.46249 2.73258 11.2828 2.73254 9.8151 25.0112 11.2828 25.0113 22.6081 GPRESSAVG: 4156800 1.91075 1.01135 11.8727 2.48635 9.5775 26.9207 11.9262 23.3516 23.2218 TIMING: 4156800 CPU: 12984.4, 0.00311187/step Wall: 12984.4, 0.00311187/step, 0.72887 hours remaining, 235.078125 MB of memory in use. ENERGY: 4156800 3958.3541 20377.0803 14360.0917 234.3862 -203151.7932 2589.6927 0.0000 0.0000 52131.3775 -109500.8107 299.5997 -161632.1882 -109133.4034 298.4587 -41.8833 -19.8298 764338.7906 11.6286 11.5700 PRESSURE: 4157000 -257.628 -74.6302 45.4273 -74.6315 15.473 -31.9967 45.4279 -31.9954 -26.2284 GPRESSURE: 4157000 -286.292 -36.4443 117.887 -10.9568 72.738 3.37114 -104.086 -36.5921 31.9435 PRESSAVG: 4157000 -14.9867 18.054 -42.6709 18.054 26.3771 17.1704 -42.6709 17.1704 21.5881 GPRESSAVG: 4157000 -15.8961 17.6474 -42.254 18.8634 27.5106 16.069 -44.7426 15.1256 21.2914 TIMING: 4157000 CPU: 12985.1, 0.00310797/step Wall: 12985.1, 0.00310797/step, 0.727784 hours remaining, 235.078125 MB of memory in use. ENERGY: 4157000 3961.4603 20462.1910 14322.5469 242.2305 -203035.5351 2594.3425 0.0000 0.0000 51995.0860 -109457.6779 298.8165 -161452.7640 -109090.1909 298.6777 -89.4613 -60.5369 763170.8404 10.9929 10.9686 PRESSURE: 4157200 -72.0808 -46.3755 184.969 -46.3746 -33.6139 -246.788 184.969 -246.789 -173.392 GPRESSURE: 4157200 -82.2314 -70.0296 39.0835 -61.7149 -32.9277 -347.945 152.319 -218.338 -78.5732 PRESSAVG: 4157200 10.5229 19.9408 -30.1531 19.9408 16.0197 -4.47665 -30.1531 -4.47663 -22.0093 GPRESSAVG: 4157200 11.8709 21.5188 -33.361 17.7893 14.7436 -5.36311 -27.6774 -2.49081 -21.6078 TIMING: 4157200 CPU: 12985.7, 0.00310102/step Wall: 12985.7, 0.00310102/step, 0.725982 hours remaining, 235.078125 MB of memory in use. ENERGY: 4157200 3993.1769 20470.4315 14336.0165 247.4580 -203420.9433 2869.3952 0.0000 0.0000 52139.0077 -109365.4576 299.6436 -161504.4653 -108998.0819 299.2042 -93.0290 -64.5774 763234.3008 1.5111 1.6689 PRESSURE: 4157400 295.241 80.8881 -123.796 80.8887 -132.512 125.299 -123.798 125.299 -44.6779 GPRESSURE: 4157400 306.292 48.5301 -196.204 75.4168 -84.7775 55.3245 81.0609 142.22 -39.6599 PRESSAVG: 4157400 -10.7015 12.9254 -0.568726 12.9253 4.63651 -25.4512 -0.568762 -25.4512 -0.761379 GPRESSAVG: 4157400 -10.4181 11.8113 0.000543722 16.003 4.68358 -23.6669 0.23768 -26.8772 -1.06965 TIMING: 4157400 CPU: 12986.3, 0.00312716/step Wall: 12986.3, 0.00312716/step, 0.731929 hours remaining, 235.292969 MB of memory in use. ENERGY: 4157400 4055.4271 20505.2565 14404.4267 227.7125 -203517.4763 2944.0962 0.0000 0.0000 52107.8334 -109272.7238 299.4644 -161380.5573 -108906.8529 299.0600 39.3504 60.6182 762932.1750 -2.2755 -2.2681 PRESSURE: 4157600 -96.5178 138.169 121.473 138.17 64.7106 -82.5434 121.474 -82.5428 283.357 GPRESSURE: 4157600 -22.6003 237.394 151.557 60.6908 102.592 -69.4393 152.812 -42.1749 233.388 PRESSAVG: 4157600 63.1291 15.1965 30.6528 15.1964 -39.4587 3.68669 30.6528 3.68665 -5.12245 GPRESSAVG: 4157600 62.9554 14.7393 30.4947 15.7896 -39.7137 3.52066 29.307 4.54186 -4.73019 TIMING: 4157600 CPU: 12986.9, 0.00311017/step Wall: 12986.9, 0.00311017/step, 0.72778 hours remaining, 235.292969 MB of memory in use. ENERGY: 4157600 3996.6473 20478.1559 14467.3010 239.3229 -202858.9439 2647.7263 0.0000 0.0000 51861.7975 -109167.9928 298.0505 -161029.7903 -108813.2577 299.1940 83.8501 104.4599 763141.4434 6.1826 6.1705 PRESSURE: 4157800 129.709 -55.5848 -30.1592 -55.5852 -120.673 -126.91 -30.1594 -126.91 213.58 GPRESSURE: 4157800 155.742 -112.542 0.345665 113.829 -42.7807 -131.755 48.6526 -200.87 191.336 PRESSAVG: 4157800 21.8425 6.41729 -4.91399 6.4173 -12.9948 27.4898 -4.91402 27.4898 -2.6121 GPRESSAVG: 4157800 21.2401 7.16359 -3.15188 2.59969 -12.7497 28.1142 -3.932 26.9249 -2.65939 TIMING: 4157800 CPU: 12987.6, 0.00310768/step Wall: 12987.6, 0.00310768/step, 0.727025 hours remaining, 235.292969 MB of memory in use. ENERGY: 4157800 3951.7135 20425.6589 14441.7769 236.5762 -203057.7848 2731.3830 0.0000 0.0000 52137.8126 -109132.8637 299.6367 -161270.6763 -108772.1905 299.2826 74.2053 101.4327 763728.0430 2.0785 1.9437 PRESSURE: 4158000 188.972 80.955 -85.765 80.9554 388.435 -137.482 -85.7655 -137.482 -168.39 GPRESSURE: 4158000 213.658 64.8699 -94.7243 -15.0255 402.995 -56.5461 -116.584 -140.851 -118.575 PRESSAVG: 4158000 -11.0936 -14.3102 -42.8916 -14.3102 42.4836 6.7749 -42.8915 6.77488 -12.0532 GPRESSAVG: 4158000 -11.6742 -15.49 -45.5074 -11.971 43.1015 5.93577 -43.4448 7.31884 -11.9568 TIMING: 4158000 CPU: 12988.2, 0.00310598/step Wall: 12988.2, 0.00310598/step, 0.726455 hours remaining, 235.292969 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: 4158000 3972.6917 20477.4352 14459.4503 253.4770 -202924.5657 2567.1619 0.0000 0.0000 52251.9893 -108942.3603 300.2929 -161194.3496 -108577.2491 299.4627 136.3392 166.0259 761272.9882 6.4456 6.4902 PRESSURE: 4158200 26.9694 125.349 -11.21 125.348 -128.307 -86.8464 -11.2103 -86.8468 77.5431 GPRESSURE: 4158200 73.7486 50.3423 1.70737 170.946 -18.6183 -47.0318 125.481 -101.212 -4.36531 PRESSAVG: 4158200 -7.46935 8.09083 -1.50898 8.0908 8.68811 14.7377 -1.50899 14.7377 20.48 GPRESSAVG: 4158200 -6.78028 8.80955 0.437212 8.37457 8.71805 14.6642 -2.7193 15.0191 19.529 TIMING: 4158200 CPU: 12988.8, 0.00310035/step Wall: 12988.8, 0.00310035/step, 0.724965 hours remaining, 235.292969 MB of memory in use. ENERGY: 4158200 4056.7736 20464.9874 14543.4238 237.1869 -202816.7561 2533.9158 0.0000 0.0000 51934.8430 -109045.6255 298.4703 -160980.4685 -108691.1616 299.9866 -7.9314 16.9216 762063.9134 7.2329 7.1556 PRESSURE: 4158400 -182.244 22.5281 55.9517 22.5274 -224.642 -97.1438 55.952 -97.1426 -19.776 GPRESSURE: 4158400 -193.293 78.6921 61.8913 61.6461 -164.313 -52.2469 9.36004 -201.875 16.8163 PRESSAVG: 4158400 -4.48936 13.8545 13.6653 13.8545 -21.4365 -0.720642 13.6652 -0.720591 4.43303 GPRESSAVG: 4158400 -4.30357 13.035 12.5121 14.3118 -21.549 1.53274 12.1013 -0.774887 5.03987 TIMING: 4158400 CPU: 12989.4, 0.00310894/step Wall: 12989.4, 0.00310894/step, 0.726802 hours remaining, 235.425781 MB of memory in use. ENERGY: 4158400 4005.1132 20407.5356 14466.8930 233.5768 -202614.8800 2193.2862 0.0000 0.0000 52205.8898 -109102.5855 300.0280 -161308.4753 -108737.8945 298.9383 -142.2206 -113.5967 761296.4868 -7.1643 -6.9376 PRESSURE: 4158600 238.261 54.4704 -36.2001 54.4709 100.749 -114.845 -36.1999 -114.844 404.338 GPRESSURE: 4158600 219.475 34.3076 -38.3221 182.658 185.845 -21.986 -28.752 -135.075 412.031 PRESSAVG: 4158600 -42.5195 -11.2099 0.332445 -11.2098 32.8724 -28.6023 0.332461 -28.6023 -2.36881 GPRESSAVG: 4158600 -43.9639 -10.8334 1.03649 -13.0508 32.623 -29.7771 1.80839 -28.5535 -0.962937 TIMING: 4158600 CPU: 12990, 0.0031131/step Wall: 12990, 0.0031131/step, 0.727602 hours remaining, 235.425781 MB of memory in use. ENERGY: 4158600 3960.4468 20483.9086 14490.2696 244.4467 -202867.9102 2626.2035 0.0000 0.0000 51878.7799 -109183.8550 298.1481 -161062.6349 -108830.8274 299.1186 247.7830 272.4500 761154.1855 -4.0053 -4.1013 PRESSURE: 4158800 -23.5247 -220.621 -17.3181 -220.622 46.4245 -52.9137 -17.3171 -52.9125 -154.474 GPRESSURE: 4158800 30.3894 -166.309 -10.9163 -122.243 60.75 -56.7916 -18.6696 -72.4059 -137.188 PRESSAVG: 4158800 -20.3343 13.4626 12.3119 13.4625 7.42124 -30.1706 12.3119 -30.1707 -22.9564 GPRESSAVG: 4158800 -19.7763 14.1412 13.373 16.5872 8.17505 -30.8736 11.0276 -31.6112 -24.0479 TIMING: 4158800 CPU: 12990.7, 0.00309841/step Wall: 12990.7, 0.00309841/step, 0.723994 hours remaining, 235.425781 MB of memory in use. ENERGY: 4158800 3933.7518 20506.7152 14411.8955 246.0285 -203137.7286 2641.1066 0.0000 0.0000 52490.0339 -108908.1971 301.6609 -161398.2310 -108549.6566 299.7071 -43.8582 -15.3496 762256.9235 -11.9565 -11.8831 PRESSURE: 4159000 269.877 108.499 52.6303 108.499 170.862 -159.173 52.6302 -159.172 676.097 GPRESSURE: 4159000 356.82 147.54 69.6332 144.143 218.13 -146.08 85.8607 -95.831 664.862 PRESSAVG: 4159000 -6.48977 11.7025 17.3289 11.7025 11.6047 3.52133 17.3288 3.52129 21.4412 GPRESSAVG: 4159000 -5.52381 12.0636 16.8669 10.1773 11.4416 3.20318 18.163 2.40963 20.7729 TIMING: 4159000 CPU: 12991.3, 0.00310882/step Wall: 12991.3, 0.00310882/step, 0.726256 hours remaining, 235.425781 MB of memory in use. ENERGY: 4159000 3943.6447 20535.5627 14386.7961 228.8248 -203266.6211 2792.3657 0.0000 0.0000 52395.1645 -108984.2627 301.1157 -161379.4271 -108625.4938 300.1354 372.2789 413.2704 761846.5715 8.8521 8.8969 PRESSURE: 4159200 328.689 -41.027 -138.568 -41.0272 -468.717 327.755 -138.569 327.754 -115.206 GPRESSURE: 4159200 288.734 -2.58363 -48.7377 -136.23 -374.37 302.715 -150.071 374.892 -64.4291 PRESSAVG: 4159200 -43.0061 49.6195 43.2645 49.6195 35.0604 22.4775 43.2645 22.4774 29.3368 GPRESSAVG: 4159200 -43.464 46.7809 45.5451 50.0184 33.7632 22.0709 41.8641 24.007 30.7994 TIMING: 4159200 CPU: 12991.9, 0.00311732/step Wall: 12991.9, 0.00311732/step, 0.728068 hours remaining, 235.425781 MB of memory in use. ENERGY: 4159200 4031.3984 20543.5855 14440.1737 244.8401 -203131.7735 2567.7533 0.0000 0.0000 52240.9420 -109063.0805 300.2294 -161304.0224 -108696.2582 300.3444 -85.0783 -50.0217 761921.2240 7.1304 7.0329 PRESSURE: 4159400 36.7528 -109.316 200.549 -109.315 138.515 -275.824 200.549 -275.823 -70.0856 GPRESSURE: 4159400 69.1523 -114.058 160.771 -79.9025 190.588 -139.857 62.1278 -184.677 -58.3395 PRESSAVG: 4159400 -34.8423 -40.305 5.6891 -40.305 41.7933 23.4603 5.68912 23.4603 -17.5114 GPRESSAVG: 4159400 -33.9845 -36.4824 1.38438 -43.396 42.3405 24.3148 5.60956 23.1725 -19.4219 TIMING: 4159400 CPU: 12992.5, 0.00312559/step Wall: 12992.5, 0.00312559/step, 0.729826 hours remaining, 235.425781 MB of memory in use. ENERGY: 4159400 4042.0196 20517.9017 14441.9900 252.2136 -203096.7638 2648.3301 0.0000 0.0000 52043.1714 -109151.1375 299.0928 -161194.3088 -108788.7821 299.9582 35.0609 67.1335 762660.2254 -3.5202 -3.6886 PRESSURE: 4159600 -49.3679 234.378 -140.549 234.378 46.2052 -63.3335 -140.549 -63.3333 -13.4643 GPRESSURE: 4159600 -31.6104 273.846 -11.2721 197.607 81.5936 -12.7112 -72.4106 -44.5602 18.5437 PRESSAVG: 4159600 5.90197 13.2519 3.45533 13.2519 -33.5705 -25.9633 3.45536 -25.9633 20.1738 GPRESSAVG: 4159600 3.05149 10.6113 5.2251 16.709 -31.9616 -24.0551 5.16276 -26.4293 21.069 TIMING: 4159600 CPU: 12993.1, 0.00311331/step Wall: 12993.1, 0.00311331/step, 0.726786 hours remaining, 235.425781 MB of memory in use. ENERGY: 4159600 4042.7836 20567.1060 14386.5504 219.2502 -203396.2532 2939.2583 0.0000 0.0000 52144.3871 -109096.9175 299.6745 -161241.3047 -108731.7788 299.7373 -5.5424 22.8423 762987.4903 -2.4983 -2.6137 PRESSURE: 4159800 247.418 50.3062 -86.9628 50.3055 -75.913 -76.9463 -86.9626 -76.9462 292.58 GPRESSURE: 4159800 299.691 -2.90098 -105.136 93.961 -93.1887 -62.7169 -238.287 5.72799 339.108 PRESSAVG: 4159800 2.44409 -5.62813 14.4959 -5.6281 -18.5445 2.45631 14.4959 2.4563 -22.0021 GPRESSAVG: 4159800 5.54893 -5.71349 12.7565 -6.34256 -20.4204 -0.284007 16.0686 2.84266 -22.9263 TIMING: 4159800 CPU: 12993.8, 0.00310588/step Wall: 12993.8, 0.00310588/step, 0.724877 hours remaining, 235.425781 MB of memory in use. ENERGY: 4159800 3987.4843 20498.0209 14478.4360 237.4774 -202889.6806 2568.7672 0.0000 0.0000 51971.3451 -109148.1497 298.6800 -161119.4948 -108788.0326 299.5002 154.6951 181.8699 764109.4353 -12.7008 -12.5993 PRESSURE: 4160000 103.783 -118.38 -21.7616 -118.38 -296.771 129.625 -21.7614 129.625 -154.797 GPRESSURE: 4160000 60.1308 -116.799 -51.8717 -173.263 -191.923 115.033 115.626 172.996 -126.903 PRESSAVG: 4160000 77.8113 2.78249 70.729 2.7825 -65.3403 73.6552 70.729 73.6551 14.2396 GPRESSAVG: 4160000 77.4756 4.24468 71.8279 2.31425 -64.4266 73.4755 69.9823 75.8138 14.5968 TIMING: 4160000 CPU: 12994.4, 0.00310316/step Wall: 12994.4, 0.00310316/step, 0.724071 hours remaining, 235.425781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4160000 4080.6050 20495.5656 14440.8419 233.9375 -203382.7252 2705.4392 0.0000 0.0000 52336.1449 -109090.1911 300.7765 -161426.3361 -108735.5803 299.3553 -115.9286 -86.2319 762586.9489 8.9035 9.2153 PRESSURE: 4160200 -81.8344 33.9846 37.8677 33.9851 89.5408 240.09 37.868 240.09 511.003 GPRESSURE: 4160200 -7.87763 67.9813 38.4542 76.6076 105.469 208.933 166.544 177.039 509.336 PRESSAVG: 4160200 0.343385 31.4516 3.89475 31.4516 -39.1902 72.1286 3.89474 72.1287 -0.279925 GPRESSAVG: 4160200 -0.190502 32.5885 2.29351 32.4511 -38.8299 73.3947 7.00737 71.2549 -0.085822 TIMING: 4160200 CPU: 12995, 0.00309008/step Wall: 12995, 0.00309008/step, 0.720846 hours remaining, 235.425781 MB of memory in use. ENERGY: 4160200 3996.6144 20413.7585 14434.8972 260.0074 -202837.2220 2482.7368 0.0000 0.0000 52142.9165 -109106.2913 299.6661 -161249.2078 -108742.5756 299.7207 172.9030 202.3091 763366.6758 -13.0423 -13.0354 LDB: ============= START OF LOAD BALANCING ============== 13007.5 LDB: ============== END OF LOAD BALANCING =============== 13007.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13007.5 LDB: ============= START OF LOAD BALANCING ============== 13007.8 LDB: Largest compute 7060 load 0.030360 is 15.6% of average load 0.195222 LDB: Average compute 0.004425 is 2.3% of average load 0.195222 LDB: TIME 13007.8 LOAD: AVG 0.195222 MAX 0.217205 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.52 MB LDB: TIME 13007.8 LOAD: AVG 0.195222 MAX 0.217205 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.52 MB LDB: TIME 13007.8 LOAD: AVG 0.195222 MAX 0.217205 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.52 MB LDB: ============== END OF LOAD BALANCING =============== 13007.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13007.8 PRESSURE: 4160400 -39.0177 222.065 -58.2865 222.065 -350.435 83.79 -58.2859 83.7892 172.834 GPRESSURE: 4160400 29.7145 -5.02263 -93.8936 222.143 -248.886 39.0722 -200.051 179.44 105.383 PRESSAVG: 4160400 56.2892 44.5167 -12.8984 44.5167 -54.6552 53.0465 -12.8984 53.0464 -14.288 GPRESSAVG: 4160400 56.123 43.5301 -12.2912 42.9666 -55.6287 53.4125 -16.3989 50.5961 -13.4167 TIMING: 4160400 CPU: 12995.6, 0.00317328/step Wall: 12995.6, 0.00317328/step, 0.74008 hours remaining, 234.882812 MB of memory in use. ENERGY: 4160400 4031.8155 20529.0514 14454.4237 250.9950 -202932.3992 2624.6674 0.0000 0.0000 52049.5377 -108991.9086 299.1294 -161041.4463 -108625.4862 299.9134 -72.2064 -37.9294 761463.7358 -4.2180 -4.3075 PRESSURE: 4160600 122.933 18.9757 117.389 18.976 42.5203 128.528 117.389 128.529 310.518 GPRESSURE: 4160600 130.923 -63.2005 121.075 -8.90516 131.559 119.526 112.996 135.264 299.081 PRESSAVG: 4160600 7.03007 45.598 7.38063 45.598 -8.76633 19.0266 7.38074 19.0266 13.1798 GPRESSAVG: 4160600 8.69114 45.7863 7.11958 46.1651 -8.8785 18.1337 7.23511 21.8852 11.6781 TIMING: 4160600 CPU: 12996.3, 0.00314166/step Wall: 12996.3, 0.00314166/step, 0.732531 hours remaining, 235.343750 MB of memory in use. ENERGY: 4160600 3974.5007 20461.1238 14423.4263 261.0152 -203157.8466 2742.0851 0.0000 0.0000 52210.4661 -109085.2295 300.0543 -161295.6956 -108717.6557 299.7848 158.6571 187.1875 761593.0422 3.8145 3.8302 PRESSURE: 4160800 -172.217 -96.3613 19.8898 -96.362 -241.883 -21.6869 19.8908 -21.687 -299.621 GPRESSURE: 4160800 -133.642 24.4799 53.7064 -81.5824 -253.582 29.599 85.0662 -48.0071 -234.004 PRESSAVG: 4160800 -27.207 -31.7135 33.3755 -31.7134 4.46292 19.7297 33.3755 19.7298 2.67027 GPRESSAVG: 4160800 -29.5853 -29.707 34.2179 -32.9282 5.1253 19.9709 35.3649 18.8537 4.45717 TIMING: 4160800 CPU: 12996.9, 0.00314844/step Wall: 12996.9, 0.00314844/step, 0.733936 hours remaining, 235.343750 MB of memory in use. ENERGY: 4160800 4107.5015 20546.1941 14442.4628 223.9400 -203077.8094 2600.9141 0.0000 0.0000 52098.6605 -109058.1363 299.4117 -161156.7968 -108695.9686 299.2101 -237.9069 -207.0761 762704.5255 -6.6913 -6.6676 PRESSURE: 4161000 403.037 35.752 -249.811 35.7528 111.631 -101.948 -249.81 -101.947 278.918 GPRESSURE: 4161000 396.922 -0.402925 -218.851 -37.5024 253.747 -103.462 -176.625 -64.0219 225.197 PRESSAVG: 4161000 3.78842 29.1483 38.5981 29.1483 48.1358 70.2341 38.598 70.234 -5.19841 GPRESSAVG: 4161000 5.43664 28.6411 39.1232 30.8376 47.2904 69.6879 37.5092 69.8904 -6.52852 TIMING: 4161000 CPU: 12997.5, 0.0031369/step Wall: 12997.5, 0.0031369/step, 0.731072 hours remaining, 235.343750 MB of memory in use. ENERGY: 4161000 4004.1218 20627.6061 14482.8115 224.3280 -203353.9262 2909.4811 0.0000 0.0000 52128.0034 -108977.5742 299.5804 -161105.5776 -108615.2347 300.0055 264.5288 291.9556 762343.7188 15.5753 15.3995 PRESSURE: 4161200 -4.9253 -111.747 -38.5035 -111.746 28.6472 -134.362 -38.5025 -134.363 -102.264 GPRESSURE: 4161200 66.051 -111.915 -146.658 -99.6325 39.2752 -132.34 46.7957 -92.6571 -94.6922 PRESSAVG: 4161200 37.6779 22.3427 8.46025 22.3427 -1.25862 -15.4874 8.46023 -15.4874 3.05347 GPRESSAVG: 4161200 37.0373 22.1818 8.93154 21.3893 -1.18683 -15.4579 6.4445 -14.9293 3.4153 TIMING: 4161200 CPU: 12998.2, 0.00313185/step Wall: 12998.2, 0.00313185/step, 0.72972 hours remaining, 235.531250 MB of memory in use. ENERGY: 4161200 3951.8011 20495.5768 14450.3107 255.9675 -202709.1407 2328.8112 0.0000 0.0000 51831.0193 -109395.6541 297.8736 -161226.6734 -109027.5644 299.3365 -26.1808 3.5447 761090.2061 13.1576 13.0886 PRESSURE: 4161400 -148.505 -168.672 22.6607 -168.672 90.2099 -94.4213 22.6605 -94.4219 158.955 GPRESSURE: 4161400 38.8454 -137.401 44.0783 -118.638 -57.3278 -130.747 70.3488 -18.6781 206.197 PRESSAVG: 4161400 -16.0638 -22.3435 38.2782 -22.3435 -8.38627 30.3798 38.2783 30.3798 22.3759 GPRESSAVG: 4161400 -16.1103 -21.7791 38.6723 -23.0159 -6.98553 29.7958 37.9723 30.7 20.5104 TIMING: 4161400 CPU: 12998.8, 0.00312322/step Wall: 12998.8, 0.00312322/step, 0.727536 hours remaining, 235.531250 MB of memory in use. ENERGY: 4161400 3964.1390 20485.2746 14460.2905 241.6612 -203184.7270 2721.9918 0.0000 0.0000 52067.1286 -109244.2413 299.2305 -161311.3699 -108894.9682 298.9147 33.5532 62.5716 761653.0959 -0.6914 -0.8618 PRESSURE: 4161600 -124.66 101.773 -376.61 101.773 -261.426 29.2117 -376.611 29.2107 322.304 GPRESSURE: 4161600 -29.5353 104.008 -407.071 67.4706 -258.238 79.2994 -104.822 -142.771 315.407 PRESSAVG: 4161600 -12.4756 -17.1469 42.7475 -17.1469 11.7245 -1.4806 42.7475 -1.48059 1.92193 GPRESSAVG: 4161600 -12.4479 -17.3177 41.5485 -17.9776 10.344 -0.704982 47.5262 -1.93158 3.06847 TIMING: 4161600 CPU: 12999.4, 0.00310368/step Wall: 12999.4, 0.00310368/step, 0.722813 hours remaining, 235.531250 MB of memory in use. ENERGY: 4161600 3946.6991 20416.9548 14438.0219 242.7423 -202780.1966 2271.4256 0.0000 0.0000 52305.0567 -109159.2963 300.5979 -161464.3530 -108792.0960 299.7271 -21.2609 9.2112 761442.7605 0.3903 0.3215 PRESSURE: 4161800 -371.17 194.849 135.649 194.85 -29.6867 31.4348 135.648 31.4356 -128.493 GPRESSURE: 4161800 -312.995 247.108 -38.0146 69.4769 5.42953 9.48204 33.1834 16.0437 -128.398 PRESSAVG: 4161800 32.3942 58.8642 33.1918 58.8642 -32.9201 31.532 33.1918 31.5319 -32.1586 GPRESSAVG: 4161800 31.8673 57.7734 31.645 59.8355 -32.2522 32.105 32.1964 31.7159 -32.3157 TIMING: 4161800 CPU: 13000, 0.00311284/step Wall: 13000, 0.00311284/step, 0.724772 hours remaining, 235.562500 MB of memory in use. ENERGY: 4161800 4062.3318 20527.2333 14511.4468 230.8718 -202567.5707 2224.5918 0.0000 0.0000 51954.1785 -109056.9166 298.5814 -161011.0951 -108704.1325 299.3873 -176.4496 -145.3213 761746.9065 -10.8948 -10.9002 PRESSURE: 4162000 -41.0725 131.052 -74.9536 131.053 163.096 -37.1744 -74.9543 -37.1748 100.148 GPRESSURE: 4162000 -36.2963 97.8317 -59.2371 153.231 206.713 30.3493 -42.5818 90.4221 147.533 PRESSAVG: 4162000 -56.7876 9.27382 55.6846 9.27378 81.4844 34.8062 55.6846 34.8062 2.51025 GPRESSAVG: 4162000 -57.2858 10.3328 58.6227 10.352 81.3187 33.4527 54.1005 36.2068 3.35543 TIMING: 4162000 CPU: 13000.6, 0.00312963/step Wall: 13000.6, 0.00312963/step, 0.728509 hours remaining, 235.562500 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: 4162000 3940.3244 20419.0758 14414.0458 246.6067 -202951.6919 2530.2541 0.0000 0.0000 52272.2628 -109129.1222 300.4094 -161401.3850 -108755.6297 299.2261 74.0572 105.9834 761967.2796 9.0690 9.1294 PRESSURE: 4162200 -41.7975 -79.3032 -8.6485 -79.3033 101.129 -4.78642 -8.64858 -4.78652 473.71 GPRESSURE: 4162200 91.0156 -8.19661 -9.15912 -162.875 105.086 -52.187 -105.957 -128.703 413.91 PRESSAVG: 4162200 40.3699 25.6893 45.2231 25.6892 -32.383 19.7521 45.2231 19.7521 18.5921 GPRESSAVG: 4162200 41.455 23.8879 44.3911 26.5048 -32.2429 20.3257 44.33 19.4037 17.4947 TIMING: 4162200 CPU: 13001.3, 0.00311457/step Wall: 13001.3, 0.00311457/step, 0.72483 hours remaining, 235.562500 MB of memory in use. ENERGY: 4162200 3930.7925 20622.4398 14511.3942 242.5286 -202953.4742 2307.6712 0.0000 0.0000 51915.5400 -109423.1079 298.3593 -161338.6478 -109063.5782 298.9574 177.6803 203.3372 760813.0906 8.8597 8.9023 PRESSURE: 4162400 110.851 -102.944 76.5445 -102.944 -56.3913 -122.299 76.5442 -122.298 -223.97 GPRESSURE: 4162400 128.313 -111.779 59.2488 -137.844 -40.2234 -103.229 24.0484 -71.0211 -152.587 PRESSAVG: 4162400 18.561 -12.9037 22.9519 -12.9037 -37.5162 -35.6266 22.9519 -35.6265 -2.7612 GPRESSAVG: 4162400 17.6776 -10.2869 23.746 -14.9289 -37.4664 -35.3473 23.0449 -35.4042 -2.00315 TIMING: 4162400 CPU: 13001.9, 0.00312804/step Wall: 13001.9, 0.00312804/step, 0.727791 hours remaining, 235.562500 MB of memory in use. ENERGY: 4162400 3960.2182 20304.6315 14429.3261 255.2719 -203230.4918 2500.7333 0.0000 0.0000 52125.6908 -109654.6200 299.5671 -161780.3108 -109280.4101 298.8430 -56.5034 -21.4989 760798.1815 -7.2388 -7.2640 PRESSURE: 4162600 -166.281 -117.423 -43.993 -117.423 -65.9209 60.3102 -43.993 60.3093 -345.534 GPRESSURE: 4162600 -117.235 -158.264 -57.661 71.6506 -23.3179 48.4467 26.3387 19.9504 -350.474 PRESSAVG: 4162600 40.4259 -12.1789 42.298 -12.1789 -22.6167 -1.5176 42.2979 -1.51754 -1.01826 GPRESSAVG: 4162600 40.4122 -14.7064 40.9388 -10.4283 -21.933 -1.42013 43.2549 -3.03596 -1.56225 TIMING: 4162600 CPU: 13002.5, 0.0031277/step Wall: 13002.5, 0.0031277/step, 0.727538 hours remaining, 235.562500 MB of memory in use. ENERGY: 4162600 3934.3692 20587.7775 14398.2898 237.6306 -203158.2907 2659.3678 0.0000 0.0000 51762.7453 -109578.1106 297.4812 -161340.8558 -109213.2859 298.3767 -192.5785 -163.6757 762423.9160 5.5970 5.6390 PRESSURE: 4162800 155.481 41.2993 -155.035 41.2988 530.019 44.8667 -155.034 44.8674 157.152 GPRESSURE: 4162800 217.083 51.9763 -211.407 22.6092 562.357 126.137 -119.782 -69.2689 158.491 PRESSAVG: 4162800 -22.367 19.9185 -5.70168 19.9185 -15.0513 13.4473 -5.70168 13.4473 -10.0171 GPRESSAVG: 4162800 -22.1944 20.4201 -5.28307 16.8317 -15.8472 12.3489 -6.5397 14.1817 -9.45907 TIMING: 4162800 CPU: 13003.1, 0.00311777/step Wall: 13003.1, 0.00311777/step, 0.725055 hours remaining, 235.562500 MB of memory in use. ENERGY: 4162800 3941.8010 20540.2289 14424.4529 264.0231 -203159.3696 2582.6263 0.0000 0.0000 51909.6519 -109496.5855 298.3255 -161406.2374 -109129.9103 298.5190 280.8840 312.6438 761481.7597 -15.8118 -15.8336 PRESSURE: 4163000 91.2367 29.1859 129.547 29.1849 341.991 196.608 129.547 196.609 -500.172 GPRESSURE: 4163000 57.5099 80.2733 6.54952 -11.1857 383.057 181.071 49.0321 199.702 -451.801 PRESSAVG: 4163000 -22.1847 19.9821 13.0341 19.982 -4.90405 -32.727 13.034 -32.727 21.3935 GPRESSAVG: 4163000 -21.6922 19.2872 12.5159 20.9219 -4.48042 -33.0482 13.4243 -31.6608 20.4649 TIMING: 4163000 CPU: 13003.8, 0.00312393/step Wall: 13003.8, 0.00312393/step, 0.726313 hours remaining, 235.562500 MB of memory in use. ENERGY: 4163000 4039.9883 20449.8349 14388.4509 243.5871 -203011.0706 2525.5292 0.0000 0.0000 51908.7979 -109454.8821 298.3206 -161363.6801 -109103.4340 298.5668 -22.3146 -3.7445 763391.1300 -1.8984 -1.9026 PRESSURE: 4163200 43.2601 53.9781 -229.536 53.9788 -357.683 -119.63 -229.536 -119.63 126.963 GPRESSURE: 4163200 74.8437 16.6834 -163.81 107.959 -220.042 -128.906 -327.139 -147.636 46.4301 PRESSAVG: 4163200 40.2518 2.30616 27.5714 2.3062 -8.17711 5.91997 27.5715 5.91995 14.1577 GPRESSAVG: 4163200 39.2859 0.684814 28.2905 5.59392 -7.43343 6.69111 26.3283 3.84964 13.8456 TIMING: 4163200 CPU: 13004.4, 0.00313824/step Wall: 13004.4, 0.00313824/step, 0.729467 hours remaining, 235.562500 MB of memory in use. ENERGY: 4163200 3920.4239 20462.2683 14367.6955 234.8305 -203326.1112 2656.0319 0.0000 0.0000 52028.6810 -109656.1801 299.0095 -161684.8611 -109288.1305 298.3343 -62.4866 -32.9229 763374.7632 15.4108 15.2327 PRESSURE: 4163400 -229.806 33.6408 -41.5752 33.6393 12.832 12.5438 -41.5747 12.5442 68.297 GPRESSURE: 4163400 -144.142 40.0209 -23.2705 54.2942 59.2451 24.6514 -67.4586 130.895 39.3101 PRESSAVG: 4163400 22.0362 55.2579 -39.5823 55.258 -21.1785 24.3208 -39.5822 24.3208 5.3482 GPRESSAVG: 4163400 22.1655 56.5719 -39.8058 52.6425 -22.5098 24.3915 -38.9345 24.8299 6.91014 TIMING: 4163400 CPU: 13005, 0.00314035/step Wall: 13005, 0.00314035/step, 0.729783 hours remaining, 235.562500 MB of memory in use. ENERGY: 4163400 3965.5656 20464.8477 14410.5078 263.9217 -203464.7487 2747.8261 0.0000 0.0000 52048.9708 -109563.1091 299.1262 -161612.0798 -109214.1744 298.2909 -49.5590 -15.1957 762723.3231 2.0686 2.1886 PRESSURE: 4163600 -217.557 120.968 -25.6396 120.968 -154.424 -65.7033 -25.6394 -65.7036 319.756 GPRESSURE: 4163600 -117.053 100.873 -68.9957 143.287 -168.189 -58.3882 -64.7567 -8.6179 318.147 PRESSAVG: 4163600 -17.9235 -8.16448 -3.43508 -8.1644 26.6002 43.5502 -3.43514 43.5503 -7.24961 GPRESSAVG: 4163600 -16.914 -5.03015 -5.29385 -7.59508 27.2137 44.0683 -1.39175 44.8939 -8.98774 TIMING: 4163600 CPU: 13005.7, 0.00314252/step Wall: 13005.7, 0.00314252/step, 0.730111 hours remaining, 235.562500 MB of memory in use. ENERGY: 4163600 3985.9249 20457.8538 14361.7701 255.9511 -203041.8137 2313.8113 0.0000 0.0000 52019.9001 -109646.6024 298.9591 -161666.5025 -109288.2495 298.5742 -17.4084 10.9684 763086.4279 0.4757 0.4373 PRESSURE: 4163800 -313.566 14.4586 90.1229 14.4583 -326.204 296.686 90.1233 296.687 -144.7 GPRESSURE: 4163800 -192.505 -2.50014 71.9452 -9.78786 -311.255 300.683 109.672 93.3217 -196.49 PRESSAVG: 4163800 -5.41594 -21.3764 45.1596 -21.3763 -8.67013 7.35371 45.1595 7.35375 15.0754 GPRESSAVG: 4163800 -6.19147 -24.3928 45.5617 -21.2845 -8.69842 6.14632 45.3875 6.20568 15.7448 TIMING: 4163800 CPU: 13006.3, 0.00314602/step Wall: 13006.3, 0.00314602/step, 0.73075 hours remaining, 235.562500 MB of memory in use. ENERGY: 4163800 3941.9433 20437.6385 14433.5261 227.2183 -203572.0416 2702.1502 0.0000 0.0000 52387.3209 -109442.2444 301.0707 -161829.5653 -109072.0905 298.6532 -261.4901 -233.4166 763382.2610 0.3298 0.2850 PRESSURE: 4164000 -251.348 58.4406 36.635 58.4407 -376.654 60.9511 36.6343 60.9511 185.595 GPRESSURE: 4164000 -197.805 127.701 -35.7771 -11.9978 -368.658 8.01706 1.51436 154.031 208.35 PRESSAVG: 4164000 -21.0125 -52.4719 48.7178 -52.4719 35.0713 -17.3392 48.7177 -17.3392 11.682 GPRESSAVG: 4164000 -20.8461 -52.1937 48.1383 -51.4892 34.5856 -16.3494 48.476 -18.8623 12.3158 TIMING: 4164000 CPU: 13006.9, 0.00312235/step Wall: 13006.9, 0.00312235/step, 0.725079 hours remaining, 235.562500 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: 4164000 3974.4718 20594.3149 14532.1303 251.9449 -202878.1295 2359.6216 0.0000 0.0000 51998.7398 -109166.9062 298.8375 -161165.6460 -108815.5757 298.8930 -147.4690 -119.3712 762456.3391 8.5803 8.6851 PRESSURE: 4164200 11.8662 33.539 -112.839 33.5385 -41.3963 -129.361 -112.838 -129.362 -132.592 GPRESSURE: 4164200 -8.53195 -21.9405 -49.0326 -9.40511 16.7742 -59.0834 -87.3713 -177.651 -105.513 PRESSAVG: 4164200 45.27 -5.23848 -19.1582 -5.23849 -61.3397 2.41142 -19.1582 2.41146 4.88427 GPRESSAVG: 4164200 45.0947 -5.06549 -18.2739 -6.86596 -60.6159 2.22733 -19.3506 3.66825 4.77498 TIMING: 4164200 CPU: 13007.5, 0.00311603/step Wall: 13007.5, 0.00311603/step, 0.723437 hours remaining, 235.562500 MB of memory in use. ENERGY: 4164200 3993.5533 20530.7834 14419.1389 244.1581 -202879.0961 2540.6342 0.0000 0.0000 51860.1779 -109290.6503 298.0412 -161150.8282 -108931.0553 299.1462 -54.0406 -32.4234 761856.0395 -3.7285 -3.5821 LDB: ============= START OF LOAD BALANCING ============== 13020 LDB: ============== END OF LOAD BALANCING =============== 13020 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13020 LDB: ============= START OF LOAD BALANCING ============== 13020.3 LDB: Largest compute 7026 load 0.031080 is 15.9% of average load 0.195215 LDB: Average compute 0.004422 is 2.3% of average load 0.195215 LDB: TIME 13020.3 LOAD: AVG 0.195215 MAX 0.217043 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.359 MB LDB: TIME 13020.3 LOAD: AVG 0.195215 MAX 0.217043 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.359 MB LDB: TIME 13020.3 LOAD: AVG 0.195215 MAX 0.217043 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.359 MB LDB: ============== END OF LOAD BALANCING =============== 13020.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13020.3 PRESSURE: 4164400 -214.143 102.021 314.676 102.021 -206.864 -128.722 314.676 -128.721 308.755 GPRESSURE: 4164400 -166.41 182.82 248.157 16.7546 -152.252 -52.7335 254.311 -87.5911 308.285 PRESSAVG: 4164400 40.412 44.8105 6.79706 44.8106 -34.4071 17.2238 6.79708 17.2238 24.2374 GPRESSAVG: 4164400 39.4467 43.1915 6.65912 45.9216 -33.2829 16.5646 5.39871 17.7388 24.0565 TIMING: 4164400 CPU: 13008.2, 0.00320836/step Wall: 13008.2, 0.00320836/step, 0.744697 hours remaining, 233.683594 MB of memory in use. ENERGY: 4164400 4044.3331 20416.9043 14495.4161 271.4057 -202943.9422 2321.6233 0.0000 0.0000 52372.5182 -109021.7415 300.9856 -161394.2597 -108652.7843 299.5960 -37.4175 -3.4589 762648.6470 10.0808 10.0734 PRESSURE: 4164600 330.846 11.3776 49.3702 11.3785 -5.34218 101.083 49.3704 101.083 -6.79026 GPRESSURE: 4164600 297.909 43.4722 109.73 -9.00175 67.0101 69.7735 49.551 244.405 41.8116 PRESSAVG: 4164600 21.3598 -24.2411 20.0587 -24.2411 -8.56043 41.2348 20.0587 41.2348 3.9845 GPRESSAVG: 4164600 21.1118 -22.7476 19.2738 -25.3129 -9.20529 40.4893 22.481 43.0792 4.25839 TIMING: 4164600 CPU: 13008.8, 0.00312949/step Wall: 13008.8, 0.00312949/step, 0.726215 hours remaining, 233.886719 MB of memory in use. ENERGY: 4164600 3980.9671 20509.1140 14485.4326 246.1117 -203325.0920 2646.6844 0.0000 0.0000 52400.5506 -109056.2317 301.1467 -161456.7823 -108695.6889 300.0988 106.2378 135.5768 759898.2711 5.5946 5.3883 PRESSURE: 4164800 165.659 -3.80652 27.1335 -3.80694 62.9507 1.90848 27.1335 1.9091 -47.6354 GPRESSURE: 4164800 52.9707 88.7334 -46.9484 -79.6453 255.796 24.4694 155.044 112.765 -51.4368 PRESSAVG: 4164800 14.8333 -21.9571 13.3601 -21.9571 5.64265 41.4789 13.36 41.4789 -27.1982 GPRESSAVG: 4164800 16.4325 -22.1869 14.7511 -21.2278 4.14479 41.8262 12.1894 40.1192 -26.7578 TIMING: 4164800 CPU: 13009.4, 0.00312874/step Wall: 13009.4, 0.00312874/step, 0.725868 hours remaining, 233.886719 MB of memory in use. ENERGY: 4164800 3964.0283 20450.5892 14416.7290 239.7285 -203118.3699 2831.9830 0.0000 0.0000 52100.7260 -109114.5859 299.4236 -161215.3119 -108751.4159 299.7650 60.3248 85.7765 763284.4725 -2.2408 -2.0602 PRESSURE: 4165000 39.1442 92.6032 -53.5227 92.6036 -55.795 -153.277 -53.5221 -153.277 48.5959 GPRESSURE: 4165000 46.9992 170.35 -76.3531 115.632 -31.114 -112.857 -149.943 -331.384 85.6672 PRESSAVG: 4165000 45.9585 8.04914 3.64873 8.04913 -15.6834 6.10491 3.64877 6.10493 1.75821 GPRESSAVG: 4165000 45.0125 7.50173 4.44411 8.6966 -14.0376 7.40788 2.16311 5.27695 0.768246 TIMING: 4165000 CPU: 13010.1, 0.00314807/step Wall: 13010.1, 0.00314807/step, 0.730177 hours remaining, 233.886719 MB of memory in use. ENERGY: 4165000 3878.2009 20393.5980 14526.4379 245.0525 -202925.2089 2392.6186 0.0000 0.0000 52182.0768 -109307.2243 299.8911 -161489.3011 -108938.5162 299.4557 10.6484 33.8508 761644.5227 10.6778 10.5811 PRESSURE: 4165200 148.664 -32.4258 -58.1549 -32.4262 154.49 344.209 -58.154 344.209 -93.2433 GPRESSURE: 4165200 121.384 -55.5907 -163.487 7.18894 212.856 311.487 27.2428 331.457 -29.7953 PRESSAVG: 4165200 13.0744 -15.6539 -44.2291 -15.6538 -0.0892338 50.2872 -44.2291 50.2873 18.2849 GPRESSAVG: 4165200 12.7872 -16.2028 -45.3579 -16.254 0.128817 49.0276 -44.021 50.037 18.7361 TIMING: 4165200 CPU: 13010.7, 0.00315141/step Wall: 13010.7, 0.00315141/step, 0.730777 hours remaining, 233.886719 MB of memory in use. ENERGY: 4165200 4046.1895 20467.6728 14448.2940 256.0207 -203566.4241 2871.9788 0.0000 0.0000 52319.9866 -109156.2816 300.6837 -161476.2683 -108794.7546 299.4486 69.9703 101.4815 761014.8563 10.4233 10.5507 PRESSURE: 4165400 47.6478 152.134 -247.064 152.133 -55.4254 15.4309 -247.065 15.4308 222.324 GPRESSURE: 4165400 107.281 143.416 -217.503 79.1906 -35.4697 103.252 -1.36904 81.4236 229.386 PRESSAVG: 4165400 -0.190742 -16.2371 -8.47907 -16.2371 -9.81078 35.5914 -8.4791 35.5914 -13.0313 GPRESSAVG: 4165400 0.428797 -16.0574 -7.69559 -15.2812 -10.6306 34.9971 -6.58629 37.6951 -12.8053 TIMING: 4165400 CPU: 13011.3, 0.00314202/step Wall: 13011.3, 0.00314202/step, 0.728425 hours remaining, 233.886719 MB of memory in use. ENERGY: 4165400 3999.4705 20421.5625 14382.7608 238.2221 -203321.4603 2641.3957 0.0000 0.0000 52246.0017 -109392.0471 300.2585 -161638.0487 -109041.2025 299.2423 71.5156 100.3993 761607.4427 -7.6776 -7.6690 PRESSURE: 4165600 166.152 76.6602 91.8384 76.6615 -251.813 -5.51953 91.8382 -5.5191 371.208 GPRESSURE: 4165600 135.731 69.5984 15.479 -16.6748 -129.588 59.6299 77.0216 -90.5241 376.899 PRESSAVG: 4165600 21.1015 -33.0935 -2.14059 -33.0934 -32.1411 17.5984 -2.14051 17.5984 -4.74516 GPRESSAVG: 4165600 21.222 -31.4484 -2.22196 -33.3354 -30.6026 18.4842 -2.55711 16.6097 -6.12486 TIMING: 4165600 CPU: 13011.9, 0.0031459/step Wall: 13011.9, 0.0031459/step, 0.729149 hours remaining, 233.886719 MB of memory in use. ENERGY: 4165600 3967.1784 20382.5176 14439.0671 258.1076 -202859.8823 2565.7839 0.0000 0.0000 51913.0429 -109334.1849 298.3450 -161247.2278 -108972.3217 298.6000 95.1825 127.6805 763666.8749 -5.2616 -5.1685 PRESSURE: 4165800 38.2007 78.0302 34.6274 78.0299 222.766 -160.645 34.6273 -160.644 151.085 GPRESSURE: 4165800 77.455 20.592 53.3052 109.662 261.928 -115.444 -54.9799 -167.761 142.88 PRESSAVG: 4165800 45.5558 18.6645 -16.2394 18.6646 -40.2015 -3.19171 -16.2394 -3.19162 7.76613 GPRESSAVG: 4165800 45.7951 17.0155 -16.0759 18.232 -41.0551 -3.20116 -16.1683 -4.7401 8.34042 TIMING: 4165800 CPU: 13012.6, 0.00313608/step Wall: 13012.6, 0.00313608/step, 0.7267 hours remaining, 233.886719 MB of memory in use. ENERGY: 4165800 3945.0944 20670.2540 14379.0011 257.2816 -203270.8870 2897.5277 0.0000 0.0000 51774.3843 -109347.3439 297.5481 -161121.7282 -108995.3012 298.9199 137.3507 160.7542 763070.2257 4.3735 4.3602 PRESSURE: 4166000 211.272 -79.8369 250.378 -79.8371 61.0171 182.396 250.379 182.397 203.927 GPRESSURE: 4166000 218.544 -116.905 218.824 -84.8109 75.2006 144.919 99.3744 276.146 273.917 PRESSAVG: 4166000 28.1926 -43.7623 -27.5775 -43.7623 -66.3495 16.0424 -27.5776 16.0424 9.96921 GPRESSAVG: 4166000 28.682 -45.8031 -28.3159 -41.4913 -66.6363 15.3504 -28.0907 17.8715 9.83854 TIMING: 4166000 CPU: 13013.2, 0.00313187/step Wall: 13013.2, 0.00313187/step, 0.72555 hours remaining, 233.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4166000 4013.8305 20390.7562 14431.0974 239.3940 -203561.4189 2964.0438 0.0000 0.0000 52008.4728 -109513.8241 298.8934 -161522.2969 -109164.7620 299.0648 158.7388 189.2204 762810.7488 -9.3959 -9.3719 PRESSURE: 4166200 284.963 29.9085 119.341 29.9079 -299.745 -103.751 119.341 -103.753 233.538 GPRESSURE: 4166200 260.84 -124.942 76.7582 76.2211 -176.105 -104.557 104.526 -63.3037 240.369 PRESSAVG: 4166200 18.5757 -19.4202 -75.4355 -19.4202 -24.7504 26.999 -75.4355 26.999 2.76904 GPRESSAVG: 4166200 18.9348 -16.6448 -74.8591 -23.5448 -24.7618 27.3955 -74.7907 25.4204 2.64943 TIMING: 4166200 CPU: 13013.8, 0.00315795/step Wall: 13013.8, 0.00315795/step, 0.731417 hours remaining, 233.886719 MB of memory in use. ENERGY: 4166200 4003.1584 20420.4075 14393.2772 232.7337 -203142.6193 2599.6084 0.0000 0.0000 51712.8473 -109780.5868 297.1944 -161493.4340 -109411.8789 298.3738 72.9185 108.3681 762914.8395 -1.1352 -1.0592 PRESSURE: 4166400 104.578 217.196 97.0079 217.197 204.175 50.4597 97.0076 50.4603 256.754 GPRESSURE: 4166400 179.806 226.676 150.512 222.654 276.699 53.2996 149.977 -52.2326 203.294 PRESSAVG: 4166400 -25.0912 -35.9159 62.3877 -35.9159 12.0092 -13.9382 62.3877 -13.9382 27.6941 GPRESSAVG: 4166400 -26.364 -36.4196 63.1768 -32.6697 11.6558 -12.0528 62.4184 -14.9472 29.2036 TIMING: 4166400 CPU: 13014.5, 0.00313077/step Wall: 13014.5, 0.00313077/step, 0.724948 hours remaining, 233.886719 MB of memory in use. ENERGY: 4166400 3997.0702 20367.3396 14356.0172 262.5248 -203455.2304 2638.7514 0.0000 0.0000 51878.9354 -109954.5917 298.1490 -161833.5271 -109595.3888 297.7592 188.5025 219.9332 760893.3746 4.8707 4.8318 PRESSURE: 4166600 -111.417 17.9133 95.0886 17.9129 119.779 -101.619 95.0875 -101.619 185.451 GPRESSURE: 4166600 -32.4263 80.8793 22.3965 -36.7162 191.101 -53.1681 52.6044 -66.1899 120.074 PRESSAVG: 4166600 4.55127 -55.9433 13.1577 -55.9433 1.13199 -18.2308 13.1577 -18.2307 1.59537 GPRESSAVG: 4166600 5.79532 -56.1492 11.4014 -57.9273 0.540333 -18.5221 13.0537 -15.8949 0.627822 TIMING: 4166600 CPU: 13015.1, 0.00313223/step Wall: 13015.1, 0.00313223/step, 0.725112 hours remaining, 233.886719 MB of memory in use. ENERGY: 4166600 4025.7192 20533.3251 14445.5670 249.4619 -203597.4371 2729.7045 0.0000 0.0000 51775.8488 -109837.8106 297.5565 -161613.6593 -109475.5411 297.9516 64.6042 92.9162 760928.4598 2.4262 2.3212 PRESSURE: 4166800 24.6553 142.573 -493.811 142.573 -23.4005 47.8982 -493.81 47.8987 -309.608 GPRESSURE: 4166800 26.0037 105.79 -512.826 168.736 19.4383 45.4862 -352.192 22.0796 -273.971 PRESSAVG: 4166800 -43.0813 -10.4328 -5.25416 -10.4328 -7.97374 27.5074 -5.25416 27.5074 -0.37062 GPRESSAVG: 4166800 -43.1058 -9.03541 -4.10261 -9.95549 -7.03402 26.6288 -4.76935 27.5952 -1.67378 TIMING: 4166800 CPU: 13015.7, 0.00314848/step Wall: 13015.7, 0.00314847/step, 0.728697 hours remaining, 233.886719 MB of memory in use. ENERGY: 4166800 3953.9896 20408.3438 14406.2121 287.7562 -203498.6392 2578.6181 0.0000 0.0000 51815.3968 -110048.3226 297.7838 -161863.7194 -109680.9930 297.9197 -102.7844 -76.1762 760069.2340 -17.1419 -17.2712 PRESSURE: 4167000 228.095 42.471 57.6853 42.4721 85.6514 161.767 57.6849 161.768 -141.273 GPRESSURE: 4167000 296.859 107.927 38.497 -38.3982 139.929 214.131 -12.4705 96.1385 -189.34 PRESSAVG: 4167000 -1.50209 -2.35875 -13.8334 -2.35878 15.5875 37.4323 -13.8335 37.4323 7.29787 GPRESSAVG: 4167000 -2.73581 -2.65942 -13.9084 -3.91532 14.6962 38.2922 -14.4579 35.9342 10.2932 TIMING: 4167000 CPU: 13016.3, 0.00312677/step Wall: 13016.3, 0.00312677/step, 0.723499 hours remaining, 233.886719 MB of memory in use. ENERGY: 4167000 3990.2379 20352.1001 14487.6733 233.5624 -203425.5986 2578.6393 0.0000 0.0000 51900.0763 -109883.3093 298.2705 -161783.3856 -109525.5015 298.0294 57.4912 82.4828 760779.9218 7.1278 7.4179 PRESSURE: 4167200 -579.807 -85.1763 66.0212 -85.1767 -393.952 -211.897 66.0209 -211.897 -186.215 GPRESSURE: 4167200 -513.602 -64.5256 -11.417 -100.868 -381.798 -148.95 139.082 -185.429 -168.603 PRESSAVG: 4167200 -11.7655 14.5449 -17.318 14.545 28.0478 80.3022 -17.318 80.3022 -2.66829 GPRESSAVG: 4167200 -11.6144 12.7882 -17.7011 16.1712 28.5298 81.183 -15.7335 80.8776 -3.6439 TIMING: 4167200 CPU: 13017, 0.00312946/step Wall: 13017, 0.00312946/step, 0.723947 hours remaining, 233.886719 MB of memory in use. ENERGY: 4167200 4103.6968 20368.8634 14462.1992 238.3486 -202810.8219 2154.2543 0.0000 0.0000 51757.9219 -109725.5377 297.4535 -161483.4596 -109360.8132 298.4419 -386.6581 -354.6677 762530.2401 4.5380 4.4238 PRESSURE: 4167400 267.377 -356.238 -56.3535 -356.237 380.233 200.369 -56.3537 200.369 241.157 GPRESSURE: 4167400 242.715 -382.056 -63.3819 -174.285 431.458 92.6436 -2.23491 98.1376 300.139 PRESSAVG: 4167400 -44.0268 18.418 27.8379 18.4181 39.8695 16.2912 27.8379 16.2912 1.94622 GPRESSAVG: 4167400 -43.203 19.6898 28.3074 21.4996 38.7285 15.3328 25.5552 12.3343 2.52088 TIMING: 4167400 CPU: 13017.6, 0.00311253/step Wall: 13017.6, 0.00311253/step, 0.71986 hours remaining, 233.886719 MB of memory in use. ENERGY: 4167400 4026.4548 20511.7323 14381.4890 253.0971 -203467.6240 2707.0465 0.0000 0.0000 51833.9305 -109753.8740 297.8903 -161587.8044 -109399.3706 297.9324 296.2554 324.7704 762307.0817 -0.7370 -0.6512 PRESSURE: 4167600 305.594 -36.2604 27.2381 -36.2602 88.3762 22.5159 27.2392 22.5158 166.358 GPRESSURE: 4167600 320.857 8.79544 30.737 -70.761 143.572 92.1224 130.878 -14.2035 180.043 PRESSAVG: 4167600 -27.9103 -34.9899 8.08429 -34.9899 33.848 -42.5344 8.08426 -42.5344 8.71857 GPRESSAVG: 4167600 -29.1207 -35.1591 8.82901 -38.1034 34.5312 -43.01 7.72651 -40.2424 9.04487 TIMING: 4167600 CPU: 13018.2, 0.00312584/step Wall: 13018.2, 0.00312584/step, 0.722763 hours remaining, 233.886719 MB of memory in use. ENERGY: 4167600 3997.9350 20425.1043 14350.3567 244.6087 -203565.6520 2759.3763 0.0000 0.0000 52101.9784 -109686.2927 299.4308 -161788.2711 -109325.4980 298.2427 186.7762 214.8243 759764.9427 4.8854 4.8185 PRESSURE: 4167800 308.845 56.3024 -122.96 56.3021 451.115 14.6115 -122.961 14.6116 143.008 GPRESSURE: 4167800 292.936 -35.6566 -118.053 -76.5052 493.458 55.1366 78.1205 -14.7044 206.842 PRESSAVG: 4167800 42.8513 38.4504 -55.9593 38.4503 -33.8414 -39.1849 -55.9593 -39.1848 32.4673 GPRESSAVG: 4167800 43.0911 36.7964 -55.1119 39.3836 -33.9985 -38.8556 -54.897 -39.5086 31.6028 TIMING: 4167800 CPU: 13018.8, 0.00311063/step Wall: 13018.8, 0.00311063/step, 0.719073 hours remaining, 233.886719 MB of memory in use. ENERGY: 4167800 3891.7151 20385.6231 14475.7572 234.9757 -203809.5986 2986.6364 0.0000 0.0000 52292.0171 -109542.8739 300.5229 -161834.8910 -109168.9030 298.7721 300.9892 331.0785 759732.5822 13.8257 13.5652 PRESSURE: 4168000 -147.158 39.462 176.785 39.4624 -130.16 207.08 176.784 207.08 40.991 GPRESSURE: 4168000 -64.9536 33.015 162.997 120.107 -160.858 236.96 -77.36 229.56 55.1843 PRESSAVG: 4168000 44.8279 -63.373 -31.3472 -63.373 -4.71417 -25.2379 -31.3472 -25.2379 -9.63359 GPRESSAVG: 4168000 45.2656 -62.3479 -31.0883 -62.071 -5.22996 -25.47 -33.3736 -23.6081 -9.92963 TIMING: 4168000 CPU: 13019.5, 0.00312376/step Wall: 13019.5, 0.00312376/step, 0.721935 hours remaining, 233.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4168000 3946.9698 20513.5637 14468.6338 226.4546 -203331.8755 2341.8795 0.0000 0.0000 52109.0812 -109725.2930 299.4716 -161834.3742 -109360.7247 298.5816 -78.7759 -56.8758 761793.7789 10.1600 10.0353 PRESSURE: 4168200 -420.851 -47.1295 -212.469 -47.1298 -79.4338 410.7 -212.469 410.7 49.8516 GPRESSURE: 4168200 -308.16 -118.012 -172.452 -26.672 -60.0108 450.422 -216.471 271.093 -7.52424 PRESSAVG: 4168200 -36.0872 -23.2821 -79.0387 -23.2821 -12.3184 -14.5472 -79.0386 -14.5472 15.2823 GPRESSAVG: 4168200 -35.3897 -24.1221 -79.7056 -24.3075 -12.4306 -14.9042 -78.9633 -14.8097 14.5761 TIMING: 4168200 CPU: 13020.1, 0.00311024/step Wall: 13020.1, 0.00311024/step, 0.718639 hours remaining, 233.886719 MB of memory in use. ENERGY: 4168200 3947.4206 20485.6016 14470.7875 248.3668 -203229.7122 2361.6413 0.0000 0.0000 52080.6660 -109635.2285 299.3083 -161715.8944 -109273.9760 298.6763 -150.1443 -125.2316 762628.1573 -11.0411 -11.0814 LDB: ============= START OF LOAD BALANCING ============== 13032.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13032.6 LDB: =============== DONE WITH MIGRATION ================ 13032.6 LDB: ============= START OF LOAD BALANCING ============== 13032.9 LDB: Largest compute 7059 load 0.029560 is 15.1% of average load 0.195225 LDB: Average compute 0.004394 is 2.3% of average load 0.195225 LDB: TIME 13032.9 LOAD: AVG 0.195225 MAX 0.217392 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.32 MB LDB: TIME 13032.9 LOAD: AVG 0.195225 MAX 0.217392 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.32 MB LDB: TIME 13032.9 LOAD: AVG 0.195225 MAX 0.217392 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.32 MB LDB: ============== END OF LOAD BALANCING =============== 13032.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13032.9 PRESSURE: 4168400 171.874 176.048 -82.4205 176.048 -196.44 70.3623 -82.4197 70.3625 2.58508 GPRESSURE: 4168400 91.0528 62.4186 -76.5542 265.933 -20.5171 -32.3391 -85.5686 2.34637 -9.5339 PRESSAVG: 4168400 8.80669 -36.4169 -22.0234 -36.4169 -53.2113 28.2474 -22.0235 28.2473 -0.60777 GPRESSAVG: 4168400 8.59191 -35.8368 -23.3341 -35.1052 -53.6658 28.7495 -19.743 28.319 -0.223531 TIMING: 4168400 CPU: 13020.7, 0.00321096/step Wall: 13020.7, 0.00321096/step, 0.741731 hours remaining, 235.476562 MB of memory in use. ENERGY: 4168400 3899.9680 20497.1363 14394.8285 240.8226 -202921.6970 2508.7437 0.0000 0.0000 51716.4814 -109663.7165 297.2153 -161380.1979 -109294.3639 298.3198 -7.3270 20.3339 761849.9200 -15.0041 -15.0991 PRESSURE: 4168600 133.873 -7.66617 395.52 -7.66583 197.971 61.0727 395.52 61.073 172.406 GPRESSURE: 4168600 202.384 -2.16673 428.417 -70.2808 172.101 28.6636 307.795 31.2573 228.106 PRESSAVG: 4168600 -10.9418 -13.3639 -51.4018 -13.3639 43.9797 -5.87412 -51.4018 -5.87405 31.5841 GPRESSAVG: 4168600 -10.7328 -13.7752 -50.3633 -15.5664 42.5351 -6.60378 -51.3634 -7.13191 32.38 TIMING: 4168600 CPU: 13021.4, 0.00314767/step Wall: 13021.4, 0.00314767/step, 0.726936 hours remaining, 235.871094 MB of memory in use. ENERGY: 4168600 3922.1139 20454.9586 14341.4264 229.7953 -203586.6250 2956.3560 0.0000 0.0000 51819.6026 -109862.3722 297.8080 -161681.9748 -109493.4786 297.8914 168.0833 200.8634 762859.1641 21.5407 21.3941 PRESSURE: 4168800 -197.602 -170.625 193.14 -170.625 11.073 81.8086 193.139 81.8084 -251.145 GPRESSURE: 4168800 -107.163 -109.002 210.901 -38.3279 -2.08738 53.3597 211.989 -5.32189 -267.597 PRESSAVG: 4168800 18.8172 -47.1719 43.661 -47.1718 -4.50623 -12.0824 43.661 -12.0824 2.37349 GPRESSAVG: 4168800 17.8082 -48.1161 41.883 -44.126 -2.56932 -11.3977 44.2197 -10.2791 0.859588 TIMING: 4168800 CPU: 13022, 0.00314449/step Wall: 13022, 0.00314449/step, 0.726028 hours remaining, 235.871094 MB of memory in use. ENERGY: 4168800 3967.0587 20379.6442 14367.2644 234.3775 -203941.0736 2995.9907 0.0000 0.0000 52039.0544 -109957.6837 299.0692 -161996.7381 -109593.3948 298.0479 -145.8914 -125.6156 760959.1348 5.5615 5.3662 PRESSURE: 4169000 -172.63 -183.494 -8.58367 -183.493 229.074 15.1795 -8.58353 15.1794 -322.6 GPRESSURE: 4169000 -126.128 -223.011 47.1363 -165.876 269.599 -10.129 -15.5834 41.5378 -311.488 PRESSAVG: 4169000 2.02086 -52.5661 -19.6208 -52.5662 -11.0116 33.6072 -19.6208 33.6072 -29.986 GPRESSAVG: 4169000 2.57341 -49.1949 -18.0086 -54.859 -12.4196 34.0069 -19.8124 33.9032 -29.5476 TIMING: 4169000 CPU: 13022.6, 0.00311935/step Wall: 13022.6, 0.00311935/step, 0.720051 hours remaining, 235.871094 MB of memory in use. ENERGY: 4169000 3929.6108 20513.0295 14436.6657 229.9578 -203480.4330 2616.6212 0.0000 0.0000 51977.9926 -109776.5555 298.7182 -161754.5481 -109414.9000 298.1339 -88.7184 -56.0055 761063.8602 -12.9923 -13.1313 PRESSURE: 4169200 -162.463 192.8 15.2158 192.801 14.1653 -17.9941 15.2163 -17.9955 -199.896 GPRESSURE: 4169200 -83.2308 -73.1365 -2.19254 147.426 1.82065 -30.9218 30.0704 57.4793 -181.903 PRESSAVG: 4169200 30.2098 -17.2941 1.5529 -17.2941 39.8753 -29.5473 1.55287 -29.5473 7.72873 GPRESSAVG: 4169200 28.5917 -15.8737 1.03013 -17.7571 40.7762 -29.8758 0.988687 -29.2889 8.94028 TIMING: 4169200 CPU: 13023.2, 0.00312712/step Wall: 13023.2, 0.00312712/step, 0.721669 hours remaining, 235.871094 MB of memory in use. ENERGY: 4169200 3983.3138 20531.4900 14410.4544 207.4618 -203250.8015 2688.2911 0.0000 0.0000 51748.5099 -109681.2805 297.3994 -161429.7905 -109320.6080 298.5592 -116.0645 -87.7712 761964.6057 25.9379 26.1027 PRESSURE: 4169400 103.183 -182.684 57.3442 -182.683 63.5579 -25.1627 57.3443 -25.1624 69.7948 GPRESSURE: 4169400 183.349 -252.551 114.323 -46.584 64.7552 -156.623 -2.00535 -6.16594 65.2446 PRESSAVG: 4169400 -44.0179 -38.7065 20.392 -38.7065 37.2363 -17.4502 20.392 -17.4501 12.3778 GPRESSAVG: 4169400 -43.0324 -39.9404 21.1446 -38.857 36.9626 -18.6678 19.4834 -20.0698 11.5286 TIMING: 4169400 CPU: 13023.9, 0.00312703/step Wall: 13023.9, 0.00312703/step, 0.721475 hours remaining, 235.871094 MB of memory in use. ENERGY: 4169400 3891.4847 20544.4532 14473.3829 248.1898 -203494.2479 2618.1105 0.0000 0.0000 52029.8797 -109688.7470 299.0164 -161718.6268 -109324.0776 298.7089 78.8453 104.4497 760505.0882 1.8654 1.8196 PRESSURE: 4169600 199.669 -72.7494 -19.9046 -72.7487 188.437 72.0764 -19.9051 72.0774 91.3407 GPRESSURE: 4169600 282.96 -48.8074 -78.0862 -68.2994 134.987 16.0138 50.3576 145.417 149.923 PRESSAVG: 4169600 21.5791 -79.9286 -27.6236 -79.9286 20.9599 21.0445 -27.6236 21.0444 -16.434 GPRESSAVG: 4169600 20.3818 -77.913 -27.5631 -79.1076 21.4993 20.6664 -26.5344 25.171 -15.8292 TIMING: 4169600 CPU: 13024.5, 0.00315669/step Wall: 13024.5, 0.00315669/step, 0.728143 hours remaining, 235.871094 MB of memory in use. ENERGY: 4169600 3922.0354 20483.9909 14443.3070 247.1490 -204035.8155 3078.5978 0.0000 0.0000 52211.6596 -109649.0758 300.0611 -161860.7354 -109293.8598 298.4229 159.8156 189.2900 759940.0670 8.7017 8.6840 PRESSURE: 4169800 -429.788 -146.918 -129.176 -146.918 -219.406 188.334 -129.176 188.333 24.7642 GPRESSURE: 4169800 -291.3 -155.454 -109.18 -122.17 -236.261 109.677 -48.2613 259.241 -10.0783 PRESSAVG: 4169800 11.4928 -63.0946 -8.8893 -63.0946 -56.1017 -5.158 -8.88935 -5.1579 -14.1457 GPRESSAVG: 4169800 13.8016 -63.7747 -7.85315 -63.4725 -56.9767 -5.62438 -9.38762 -7.66784 -15.3988 TIMING: 4169800 CPU: 13025.1, 0.00315515/step Wall: 13025.1, 0.00315515/step, 0.727614 hours remaining, 235.871094 MB of memory in use. ENERGY: 4169800 4006.3204 20689.7945 14483.5953 246.2720 -202863.8297 2315.2803 0.0000 0.0000 51923.7202 -109198.8470 298.4063 -161122.5673 -108835.7685 299.1572 -208.1431 -179.2130 761897.7201 -19.5849 -19.5246 PRESSURE: 4170000 626.398 -15.2512 -93.5359 -15.25 -121.114 38.7836 -93.5357 38.7829 386.577 GPRESSURE: 4170000 574.088 -35.9847 -70.2586 2.82815 81.9969 11.3412 -73.3968 21.1395 311.042 PRESSAVG: 4170000 13.4703 -38.2881 -0.044254 -38.2881 10.212 -1.50453 -0.0442831 -1.50455 5.89273 GPRESSAVG: 4170000 11.1292 -40.7799 0.437094 -37.0828 11.6311 -0.412869 0.803009 -0.247542 6.88459 TIMING: 4170000 CPU: 13025.7, 0.00314001/step Wall: 13025.7, 0.00314001/step, 0.723947 hours remaining, 235.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4170000 4008.0189 20609.6186 14467.5299 250.9660 -203674.8681 3012.3935 0.0000 0.0000 52072.1543 -109254.1867 299.2594 -161326.3410 -108899.8376 299.4299 297.2869 322.3756 760968.5811 9.8583 9.8816 PRESSURE: 4170200 96.8298 7.04292 -98.5355 7.04276 13.0162 106.639 -98.5365 106.64 336.678 GPRESSURE: 4170200 145.943 -64.3799 -66.9398 51.7752 9.74702 116.417 -22.4868 130.115 384.443 PRESSAVG: 4170200 1.88284 -42.3504 44.0869 -42.3504 -1.79168 -50.5705 44.0869 -50.5706 -2.06394 GPRESSAVG: 4170200 2.54941 -44.686 42.1905 -41.7206 -2.70948 -50.0124 43.149 -52.0008 -2.06566 TIMING: 4170200 CPU: 13026.4, 0.00313368/step Wall: 13026.4, 0.00313368/step, 0.722312 hours remaining, 235.871094 MB of memory in use. ENERGY: 4170200 3972.9594 20608.5323 14403.5508 244.5532 -203344.4147 2796.3594 0.0000 0.0000 52033.9157 -109284.5439 299.0396 -161318.4596 -108918.3225 299.6103 148.8413 180.0444 761471.3985 -0.6576 -0.7419 PRESSURE: 4170400 104.326 -190.489 124.615 -190.489 -38.8977 -170.104 124.615 -170.103 152.787 GPRESSURE: 4170400 87.8838 -201.296 179.009 -164.333 96.4183 -238.464 21.3453 -107.279 127.837 PRESSAVG: 4170400 -13.1205 -24.5407 27.3434 -24.5407 32.0648 22.3607 27.3435 22.3607 -35.2742 GPRESSAVG: 4170400 -13.9545 -21.2374 27.6639 -25.7275 33.5698 21.3229 24.9769 23.6725 -35.3633 TIMING: 4170400 CPU: 13027, 0.00313166/step Wall: 13027, 0.00313166/step, 0.721674 hours remaining, 235.871094 MB of memory in use. ENERGY: 4170400 4040.5089 20564.3522 14455.3219 259.9307 -203277.6853 2690.6762 0.0000 0.0000 52208.0190 -109058.8765 300.0402 -161266.8955 -108698.9687 299.9305 72.7384 104.0463 761725.0749 -5.4433 -5.2493 PRESSURE: 4170600 -271.483 143.396 20.3082 143.396 93.801 141.617 20.3084 141.617 -225.833 GPRESSURE: 4170600 -258.327 142.325 33.7356 7.39946 80.8149 220.59 91.263 233.775 -134.583 PRESSAVG: 4170600 -60.3431 0.871016 59.004 0.870974 26.7518 11.0438 59.004 11.0438 -0.911926 GPRESSAVG: 4170600 -59.4682 -0.133777 59.5551 1.33506 25.3557 11.0826 63.4851 12.4969 -0.703918 TIMING: 4170600 CPU: 13027.6, 0.0031275/step Wall: 13027.6, 0.0031275/step, 0.720542 hours remaining, 235.871094 MB of memory in use. ENERGY: 4170600 4038.9166 20440.4369 14373.0909 234.9994 -203379.8082 2843.0498 0.0000 0.0000 52336.7031 -109112.6115 300.7798 -161449.3146 -108746.0644 300.0670 -134.5049 -104.0316 762923.5606 -11.5011 -11.6055 PRESSURE: 4170800 114.398 35.3152 107.457 35.3162 211.375 -100.698 107.456 -100.698 -137.051 GPRESSURE: 4170800 92.6846 43.9761 37.5878 63.8948 225.8 -27.142 34.4767 -174.278 -49.1773 PRESSAVG: 4170800 6.87658 -16.0837 -14.8725 -16.0836 23.3886 48.1094 -14.8725 48.1094 -15.7743 GPRESSAVG: 4170800 5.91991 -15.2669 -15.3621 -15.6743 24.9308 48.8534 -17.0526 47.2721 -16.6709 TIMING: 4170800 CPU: 13028.2, 0.00312135/step Wall: 13028.2, 0.00312135/step, 0.718951 hours remaining, 235.871094 MB of memory in use. ENERGY: 4170800 3962.1388 20603.7530 14445.4770 242.3116 -203542.6767 2949.9743 0.0000 0.0000 52112.3080 -109226.7140 299.4902 -161339.0220 -108861.2268 300.0757 62.9071 89.7690 760752.6483 4.8303 4.7266 PRESSURE: 4171000 -461.146 -84.3848 40.4837 -84.3839 -18.4931 -122.928 40.4824 -122.929 -185.412 GPRESSURE: 4171000 -249.984 -134.797 149.699 -146.82 -138.06 -94.1423 -61.9894 -101.148 -174.05 PRESSAVG: 4171000 -39.1353 -10.6195 -53.7926 -10.6196 11.0841 -64.9774 -53.7925 -64.9774 26.811 GPRESSAVG: 4171000 -38.2285 -12.208 -54.7789 -9.46762 10.0964 -65.0129 -52.7102 -65.9658 26.9796 TIMING: 4171000 CPU: 13028.9, 0.00312387/step Wall: 13028.9, 0.00312387/step, 0.719357 hours remaining, 235.871094 MB of memory in use. ENERGY: 4171000 4004.5852 20600.4659 14380.7959 261.7655 -202853.1624 2392.8111 0.0000 0.0000 52136.2870 -109076.4519 299.6280 -161212.7389 -108717.6239 299.9662 -221.6838 -187.3648 762501.3771 -0.4134 -0.3842 PRESSURE: 4171200 -639.099 -57.3872 -309.227 -57.3865 -358.49 -50.772 -309.227 -50.7727 -264.162 GPRESSURE: 4171200 -618.504 -50.721 -293.143 -62.1457 -300.231 -58.5197 -173.295 97.1241 -248.698 PRESSAVG: 4171200 -17.7639 -45.7912 -20.618 -45.7912 25.5635 13.9955 -20.618 13.9955 3.5156 GPRESSAVG: 4171200 -18.1921 -43.7634 -19.5261 -47.3925 24.6187 13.1886 -20.1795 15.2558 4.18754 TIMING: 4171200 CPU: 13029.5, 0.00311644/step Wall: 13029.5, 0.00311644/step, 0.717475 hours remaining, 235.871094 MB of memory in use. ENERGY: 4171200 4038.9757 20672.4002 14398.4660 237.7017 -203071.0202 2196.4930 0.0000 0.0000 52066.7025 -109460.2810 299.2281 -161526.9836 -109100.4105 299.4819 -420.5836 -389.1445 762397.2075 3.7717 3.5381 PRESSURE: 4171400 42.4256 93.4707 -90.9279 93.4709 -182.181 -56.4613 -90.9272 -56.461 -362.659 GPRESSURE: 4171400 -30.3605 98.6761 -93.6616 -7.03596 -43.561 -60.6475 -52.0403 -163.744 -342.426 PRESSAVG: 4171400 -8.7566 -21.61 14.0611 -21.61 -41.2303 60.3526 14.0611 60.3525 6.09109 GPRESSAVG: 4171400 -10.2747 -21.2559 14.1768 -21.313 -39.4679 60.2348 9.97219 61.6177 5.7791 TIMING: 4171400 CPU: 13030.1, 0.00313062/step Wall: 13030.1, 0.00313062/step, 0.720564 hours remaining, 235.871094 MB of memory in use. ENERGY: 4171400 3933.4431 20476.1863 14446.8428 234.8519 -203507.9077 2733.6164 0.0000 0.0000 52161.5577 -109521.4095 299.7732 -161682.9673 -109146.3399 298.7747 -167.4716 -138.7825 762574.5940 -14.6319 -14.6545 PRESSURE: 4171600 -101.168 -202.808 -53.7278 -202.807 141.586 7.30459 -53.7275 7.30307 5.56198 GPRESSURE: 4171600 -75.107 -160.52 -88.4493 -176.836 105.278 1.95827 -89.2566 -2.33964 126.311 PRESSAVG: 4171600 18.9456 -50.9609 31.9768 -50.9609 -1.73977 -13.2347 31.9768 -13.2347 11.8686 GPRESSAVG: 4171600 19.2881 -52.1764 32.5559 -50.4703 -1.84089 -13.9114 32.9637 -14.8804 11.4359 TIMING: 4171600 CPU: 13030.7, 0.00313489/step Wall: 13030.7, 0.00313489/step, 0.721373 hours remaining, 235.871094 MB of memory in use. ENERGY: 4171600 4022.6134 20293.5743 14417.0437 246.4330 -203047.9818 2597.8431 0.0000 0.0000 51931.2206 -109539.2538 298.4494 -161470.4743 -109155.6619 298.1325 15.3266 52.1608 760838.4853 9.6915 9.6277 PRESSURE: 4171800 218.044 233.621 107.422 233.621 102.869 6.36657 107.422 6.36584 28.3639 GPRESSURE: 4171800 246.086 131.313 -47.1489 177.09 125.835 -11.1673 111.668 52.7628 59.3577 PRESSAVG: 4171800 24.242 -8.68317 15.064 -8.68318 -19.3277 1.3956 15.064 1.39547 -13.4542 GPRESSAVG: 4171800 24.5764 -10.058 12.3017 -9.16052 -21.0021 1.36746 17.0293 0.330088 -12.5431 TIMING: 4171800 CPU: 13031.4, 0.00311549/step Wall: 13031.4, 0.00311549/step, 0.716737 hours remaining, 235.871094 MB of memory in use. ENERGY: 4171800 3946.9554 20436.0173 14448.4118 256.8560 -203515.9990 3024.4629 0.0000 0.0000 51775.5446 -109627.7509 297.5548 -161403.2955 -109256.8942 297.7075 116.4255 143.7596 762600.9284 -2.8466 -2.9896 PRESSURE: 4172000 -345.436 -234.64 65.0589 -234.641 -280.368 12.6442 65.059 12.6437 -23.8325 GPRESSURE: 4172000 -362.195 -163.558 -56.2951 -172.4 -221.808 -26.0632 79.5133 -77.1811 16.1779 PRESSAVG: 4172000 -35.2401 -24.5163 25.0586 -24.5163 35.1045 -13.7365 25.0586 -13.7365 6.27628 GPRESSAVG: 4172000 -35.7748 -20.8751 26.3914 -24.0623 36.3683 -13.0609 23.8806 -12.0579 6.16091 TIMING: 4172000 CPU: 13032, 0.00311989/step Wall: 13032, 0.00311989/step, 0.717576 hours remaining, 235.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4172000 3947.5316 20479.5481 14345.9049 248.8384 -202952.5087 2503.1106 0.0000 0.0000 52017.4707 -109410.1044 298.9451 -161427.5751 -109047.0982 298.4772 -216.5453 -189.2751 764302.0859 2.0469 2.2515 PRESSURE: 4172200 -112.184 31.6313 154.959 31.6322 -502.857 -82.5381 154.959 -82.5377 -194.358 GPRESSURE: 4172200 -120.437 117.829 91.465 -32.6182 -405.962 -171.968 181.193 -135.257 -209.807 PRESSAVG: 4172200 -8.75797 -69.8405 -2.40151 -69.8405 10.7194 -81.5169 -2.40149 -81.517 -11.7488 GPRESSAVG: 4172200 -9.15518 -70.5033 -1.21343 -70.6652 12.5089 -81.7877 -2.77911 -82.2238 -12.554 TIMING: 4172200 CPU: 13032.6, 0.00312306/step Wall: 13032.6, 0.00312306/step, 0.718131 hours remaining, 235.871094 MB of memory in use. ENERGY: 4172200 4001.5839 20513.7443 14426.7962 240.5050 -203276.0872 2545.8140 0.0000 0.0000 52178.8137 -109368.8302 299.8724 -161547.6439 -109001.8083 298.8941 -269.7994 -245.4018 762607.5500 -3.2624 -3.0668 LDB: ============= START OF LOAD BALANCING ============== 13045.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13045.1 LDB: =============== DONE WITH MIGRATION ================ 13045.1 LDB: ============= START OF LOAD BALANCING ============== 13045.4 LDB: Largest compute 7026 load 0.028828 is 14.8% of average load 0.195207 LDB: Average compute 0.004386 is 2.2% of average load 0.195207 LDB: TIME 13045.4 LOAD: AVG 0.195207 MAX 0.214932 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.148 MB LDB: TIME 13045.4 LOAD: AVG 0.195207 MAX 0.214932 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.258 MB LDB: TIME 13045.4 LOAD: AVG 0.195207 MAX 0.214932 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.258 MB LDB: ============== END OF LOAD BALANCING =============== 13045.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13045.4 PRESSURE: 4172400 -17.7076 -75.4705 227.127 -75.4707 297.47 40.9741 227.128 40.9734 75.0524 GPRESSURE: 4172400 48.4319 -207.505 239.171 -18.631 378.947 131.119 55.2175 67.5555 10.4862 PRESSAVG: 4172400 -51.3798 23.2019 48.8867 23.2019 36.4473 -29.2032 48.8867 -29.2032 22.2391 GPRESSAVG: 4172400 -50.2529 23.2388 47.7936 21.0051 35.6978 -28.253 49.349 -27.8815 21.8161 TIMING: 4172400 CPU: 13033.3, 0.00320742/step Wall: 13033.3, 0.00320742/step, 0.737351 hours remaining, 233.476562 MB of memory in use. ENERGY: 4172400 4004.8796 20445.7152 14398.9831 238.9772 -203670.6521 3035.3980 0.0000 0.0000 52295.8777 -109250.8214 300.5451 -161546.6991 -108883.0509 299.0874 118.2718 145.9551 762547.3239 2.4355 2.4204 PRESSURE: 4172600 -337.529 37.8313 -235.472 37.831 133.066 -162.936 -235.472 -162.937 165.386 GPRESSURE: 4172600 -96.4381 -9.00855 -211.318 53.5797 31.6058 -199.894 -199.271 -295.214 103.464 PRESSAVG: 4172600 4.12196 -29.6999 25.3119 -29.6999 -0.453428 -11.3069 25.3119 -11.3069 0.865032 GPRESSAVG: 4172600 4.46905 -30.5453 26.0524 -26.1641 -1.46833 -11.8947 23.8521 -13.624 1.79888 TIMING: 4172600 CPU: 13033.9, 0.00313362/step Wall: 13033.9, 0.00313362/step, 0.72021 hours remaining, 233.738281 MB of memory in use. ENERGY: 4172600 3977.6619 20497.9285 14457.1856 266.9302 -202933.0153 2572.1126 0.0000 0.0000 51922.7105 -109238.4861 298.4005 -161161.1966 -108880.7581 298.8682 -13.0258 12.8770 763221.7113 1.5112 1.5999 PRESSURE: 4172800 84.5978 76.8737 66.3058 76.874 160.747 -54.753 66.3058 -54.7531 -158.565 GPRESSURE: 4172800 132.93 0.107591 73.0579 -28.1873 87.2932 6.7163 45.471 -26.3378 -59.1254 PRESSAVG: 4172800 -26.5042 5.29713 0.0953393 5.29708 -6.35886 -7.19899 0.0953215 -7.19888 21.0713 GPRESSAVG: 4172800 -26.8351 3.50066 0.222411 4.40504 -7.25218 -7.54168 3.15328 -6.31967 22.5502 TIMING: 4172800 CPU: 13034.5, 0.00313222/step Wall: 13034.5, 0.00313222/step, 0.719714 hours remaining, 233.738281 MB of memory in use. ENERGY: 4172800 3916.1001 20420.2871 14386.3488 232.5651 -203158.0058 2605.6200 0.0000 0.0000 52264.5277 -109332.5571 300.3650 -161597.0848 -108969.5064 299.3111 28.9267 53.6993 762347.5979 -3.9306 -3.8457 PRESSURE: 4173000 -256.9 -55.5578 28.6927 -55.5591 -169.777 126.036 28.6933 126.035 -56.3616 GPRESSURE: 4173000 -142.222 38.139 -34.8069 -175.147 -176.686 14.2867 75.785 21.7804 -77.8486 PRESSAVG: 4173000 -3.92004 -5.01412 -20.0577 -5.0142 -35.3918 -1.32215 -20.0576 -1.32214 -16.2945 GPRESSAVG: 4173000 -2.59459 -2.43044 -21.3022 -5.28342 -35.4405 -0.826805 -22.1317 -2.39799 -17.3603 TIMING: 4173000 CPU: 13035.1, 0.00311981/step Wall: 13035.1, 0.00311981/step, 0.716689 hours remaining, 233.738281 MB of memory in use. ENERGY: 4173000 4052.4533 20455.7916 14443.9391 245.0074 -203141.2819 2561.9901 0.0000 0.0000 52000.9233 -109381.1772 298.8500 -161382.1005 -109035.1838 298.8083 -161.0131 -132.2524 762253.7876 -18.5355 -18.4652 PRESSURE: 4173200 106.144 67.9914 -328.873 67.9924 300.56 73.0393 -328.874 73.0393 -76.0953 GPRESSURE: 4173200 166.367 132.506 -240.116 -24.7479 253.603 -9.48399 -248.891 63.554 23.3668 PRESSAVG: 4173200 33.0692 -30.0666 -34.7312 -30.0666 -11.578 17.6099 -34.7312 17.6099 -5.33962 GPRESSAVG: 4173200 33.0754 -30.4831 -34.7696 -31.5509 -12.2826 17.6741 -33.9011 17.7523 -4.70263 TIMING: 4173200 CPU: 13035.8, 0.00312037/step Wall: 13035.8, 0.00312037/step, 0.716646 hours remaining, 233.738281 MB of memory in use. ENERGY: 4173200 3966.1712 20496.4491 14400.3451 253.7913 -203441.7497 2961.4195 0.0000 0.0000 52055.4487 -109308.1247 299.1634 -161363.5735 -108949.7506 298.9784 110.2030 147.7789 762031.8884 5.3838 5.3634 PRESSURE: 4173400 157.216 -80.1562 42.6181 -80.1567 -24.8747 -117.823 42.6174 -117.824 2.93246 GPRESSURE: 4173400 143.599 19.0196 130.664 -85.9725 5.36968 -93.6021 110.959 -166.094 69.6116 PRESSAVG: 4173400 10.1715 -35.2622 -2.57806 -35.2622 9.03945 15.7078 -2.57813 15.7077 -2.69218 GPRESSAVG: 4173400 8.7637 -36.1569 -0.471814 -33.2716 9.83454 16.8032 -2.9726 18.0957 -2.51535 TIMING: 4173400 CPU: 13036.4, 0.00311607/step Wall: 13036.4, 0.00311607/step, 0.715485 hours remaining, 233.738281 MB of memory in use. ENERGY: 4173400 4008.1410 20517.9796 14488.1125 253.9417 -202981.9325 2543.3357 0.0000 0.0000 51805.5922 -109364.8298 297.7275 -161170.4220 -109005.7333 299.0867 45.0913 72.8602 763001.1302 5.5063 5.3610 PRESSURE: 4173600 -12.4301 127.49 -45.5503 127.491 142.024 200.02 -45.5499 200.019 -199.611 GPRESSURE: 4173600 5.38385 182.359 20.6609 21.1237 146.262 160.932 -106.071 215.452 -148.933 PRESSAVG: 4173600 2.09024 -17.4518 17.6031 -17.4517 -15.023 6.47159 17.6031 6.4717 -10.8887 GPRESSAVG: 4173600 1.89602 -14.3536 18.1316 -18.235 -14.1282 5.37216 16.3311 5.77333 -11.2217 TIMING: 4173600 CPU: 13037, 0.00310558/step Wall: 13037, 0.00310558/step, 0.712902 hours remaining, 233.738281 MB of memory in use. ENERGY: 4173600 3943.9559 20526.2272 14467.1842 239.5303 -203398.0661 2850.6606 0.0000 0.0000 51700.7872 -109669.7208 297.1251 -161370.5079 -109309.8989 298.6458 -23.3393 0.9043 763432.0432 -7.9405 -7.8180 PRESSURE: 4173800 -270.885 66.8475 229.716 66.8471 -369.446 109.569 229.716 109.569 -374.567 GPRESSURE: 4173800 -216.449 82.1294 229.014 45.2897 -331.666 115.471 259.601 3.08849 -377.166 PRESSAVG: 4173800 7.81723 -10.6535 -9.22145 -10.6534 29.2229 -31.4101 -9.22144 -31.4101 -3.87113 GPRESSAVG: 4173800 8.50668 -14.3949 -11.4336 -9.17811 29.0991 -30.5371 -8.12956 -32.4034 -4.31934 TIMING: 4173800 CPU: 13037.6, 0.00312039/step Wall: 13037.6, 0.00312039/step, 0.71613 hours remaining, 233.875000 MB of memory in use. ENERGY: 4173800 4000.7144 20425.9395 14326.9183 232.9303 -202874.3744 2364.4423 0.0000 0.0000 51851.7775 -109671.6522 297.9929 -161523.4297 -109312.1422 298.1527 -338.2993 -308.4272 764686.7187 11.0563 11.0955 PRESSURE: 4174000 68.4116 113.464 -52.6833 113.463 98.3262 -261.848 -52.6834 -261.848 -122.663 GPRESSURE: 4174000 94.7787 178.208 -61.4935 25.7172 173.943 -318.476 -53.5976 -3.27824 -150.17 PRESSAVG: 4174000 -46.994 -7.09958 3.70347 -7.09953 65.6765 -55.5042 3.70348 -55.5042 -12.4023 GPRESSAVG: 4174000 -47.5298 -7.70396 3.65345 -7.80859 66.2474 -57.1998 4.74883 -53.0795 -12.6004 TIMING: 4174000 CPU: 13038.3, 0.00312458/step Wall: 13038.3, 0.00312458/step, 0.716917 hours remaining, 233.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4174000 4123.4973 20323.3281 14358.9369 242.3563 -203488.5211 2874.2578 0.0000 0.0000 52016.6385 -109549.5062 298.9403 -161566.1447 -109200.6270 298.2073 14.6916 39.5172 763789.8354 2.0934 2.0391 PRESSURE: 4174200 394.913 93.0694 -252.907 93.0695 -263.649 106.169 -252.907 106.169 -162.059 GPRESSURE: 4174200 374.063 122.346 -299.346 74.775 -135.8 101.089 -207.492 138.462 -158.496 PRESSAVG: 4174200 -13.0783 -28.1991 16.8686 -28.1991 16.4923 -19.2291 16.8686 -19.2291 25.1617 GPRESSAVG: 4174200 -12.8564 -25.1643 16.9668 -28.2047 17.5451 -18.362 14.0055 -21.9297 23.9678 TIMING: 4174200 CPU: 13038.9, 0.00315655/step Wall: 13038.9, 0.00315655/step, 0.724077 hours remaining, 233.875000 MB of memory in use. ENERGY: 4174200 4058.9301 20264.8687 14356.1192 228.7591 -203482.9974 3005.3184 0.0000 0.0000 51895.3303 -109673.6716 298.2432 -161569.0019 -109301.3349 297.7304 -10.2648 26.5888 763945.7923 9.5253 9.5522 PRESSURE: 4174400 139.55 -66.7525 127.882 -66.7527 50.3951 143.935 127.882 143.935 -233.877 GPRESSURE: 4174400 158.232 -106.616 207.358 -76.6802 32.4551 192.142 159.068 85.8223 -146.165 PRESSAVG: 4174400 16.2784 -16.3104 -17.6988 -16.3105 -30.3489 -46.6719 -17.6988 -46.6719 -13.1271 GPRESSAVG: 4174400 16.0398 -17.6912 -18.4398 -15.8169 -32.5399 -46.6477 -17.484 -45.4143 -10.9337 TIMING: 4174400 CPU: 13039.5, 0.00315344/step Wall: 13039.5, 0.00315344/step, 0.723188 hours remaining, 233.875000 MB of memory in use. ENERGY: 4174400 3942.9520 20534.8494 14361.0296 247.8281 -203381.2725 2813.0515 0.0000 0.0000 51847.8739 -109633.6880 297.9704 -161481.5619 -109274.0663 297.8046 -14.6440 14.8408 763056.3370 -9.0658 -9.1446 PRESSURE: 4174600 240.334 153.201 -243.799 153.2 -37.9222 59.9258 -243.798 59.9255 133.015 GPRESSURE: 4174600 314.289 191.934 -260.757 89.6975 -29.8247 -61.2939 -186.89 119.742 126.83 PRESSAVG: 4174600 1.61662 8.81919 -52.6339 8.81916 -28.7362 -28.3616 -52.6339 -28.3616 13.0541 GPRESSAVG: 4174600 2.44107 10.7852 -52.1456 7.22968 -27.9271 -27.1687 -52.1789 -30.3266 11.2844 TIMING: 4174600 CPU: 13040.1, 0.00312843/step Wall: 13040.1, 0.00312843/step, 0.717279 hours remaining, 233.875000 MB of memory in use. ENERGY: 4174600 3884.5835 20555.0367 14468.5687 244.7757 -203479.1116 2818.9401 0.0000 0.0000 51973.0902 -109534.1166 298.6901 -161507.2068 -109174.4223 298.5980 111.8091 137.0979 762327.4874 -4.6885 -4.7339 PRESSURE: 4174800 174.431 250.431 -28.2959 250.43 169.976 -451.901 -28.2954 -451.901 369 GPRESSURE: 4174800 128.303 258.757 36.7623 315.456 209.793 -424.013 -26.5504 -406.147 480.018 PRESSAVG: 4174800 32.1346 7.02352 -25.0849 7.02354 -36.4925 -68.8346 -25.0848 -68.8346 6.69997 GPRESSAVG: 4174800 31.3779 4.63962 -24.5128 8.51445 -36.2831 -67.8948 -22.5927 -68.3599 7.36885 TIMING: 4174800 CPU: 13040.8, 0.0031363/step Wall: 13040.8, 0.0031363/step, 0.718909 hours remaining, 233.875000 MB of memory in use. ENERGY: 4174800 3999.9387 20501.9071 14443.2661 249.6074 -203577.1283 2928.2566 0.0000 0.0000 52101.2272 -109352.9251 299.4265 -161454.1524 -108996.9664 299.0145 237.8024 272.7046 761639.4112 0.7807 0.8212 PRESSURE: 4175000 -66.0227 -145.042 -321.95 -145.041 -217.019 -11.5283 -321.951 -11.5298 -406.798 GPRESSURE: 4175000 -49.2882 -191.886 -325.257 -126.204 -124.303 3.64661 -258.241 159.877 -419.907 PRESSAVG: 4175000 -17.7095 20.811 -36.9384 20.811 -10.5293 36.2523 -36.9384 36.2524 2.46401 GPRESSAVG: 4175000 -16.6423 20.6663 -37.1346 20.4884 -11.3884 32.6983 -38.6836 37.6853 2.50094 TIMING: 4175000 CPU: 13041.4, 0.00313455/step Wall: 13041.4, 0.00313455/step, 0.718334 hours remaining, 233.875000 MB of memory in use. ENERGY: 4175000 3999.9912 20580.8947 14372.3703 231.1972 -202927.5203 2424.2882 0.0000 0.0000 52052.8511 -109265.9277 299.1485 -161318.7787 -108910.8285 299.0259 -229.9467 -197.8330 763457.1813 -8.5916 -8.5099 PRESSURE: 4175200 -150.967 12.0606 135.417 12.0607 63.434 0.314595 135.417 0.314559 -41.6598 GPRESSURE: 4175200 -90.8655 -25.2238 177.914 -59.8977 57.0018 48.9849 95.51 -131.897 -15.8107 PRESSAVG: 4175200 -18.6215 -23.3032 25.5448 -23.3031 1.38446 -37.0206 25.5448 -37.0206 7.58568 GPRESSAVG: 4175200 -18.6228 -22.1245 26.3426 -24.3656 2.94708 -35.2231 23.8595 -38.8516 6.67382 TIMING: 4175200 CPU: 13042, 0.00312314/step Wall: 13042, 0.00312314/step, 0.715547 hours remaining, 233.875000 MB of memory in use. ENERGY: 4175200 4038.5511 20500.2079 14363.3356 227.3788 -203333.9834 2713.0926 0.0000 0.0000 52455.4966 -109035.9208 301.4625 -161491.4174 -108676.9293 299.4839 -43.0643 -16.5581 761945.1973 -3.2171 -3.0006 PRESSURE: 4175400 147.995 70.2473 83.7295 70.2465 -223.434 69.4383 83.73 69.4391 -104.314 GPRESSURE: 4175400 125.772 23.8775 86.7738 111.582 -160.541 90.3892 42.6366 25.8197 -55.249 PRESSAVG: 4175400 -13.5285 -6.9619 17.1697 -6.96188 -32.2453 -12.8372 17.1696 -12.8372 1.49653 GPRESSAVG: 4175400 -14.7128 -6.77635 16.1351 -5.30924 -32.3902 -12.2945 20.4242 -13.1721 3.04015 TIMING: 4175400 CPU: 13042.6, 0.00312006/step Wall: 13042.6, 0.00312006/step, 0.714667 hours remaining, 233.875000 MB of memory in use. ENERGY: 4175400 4059.9837 20611.1638 14341.8954 251.7768 -202778.0183 2529.5380 0.0000 0.0000 51901.1198 -109082.5407 298.2764 -160983.6605 -108728.2968 299.6443 -59.9174 -30.0061 765530.9192 -14.7591 -14.6876 PRESSURE: 4175600 35.5774 68.9372 182.372 68.9385 37.2071 -140.202 182.372 -140.203 379.349 GPRESSURE: 4175600 96.3124 4.45148 142.608 125.699 39.9673 -176.925 296.996 -131.052 433.575 PRESSAVG: 4175600 88.7604 -4.86682 -12.0686 -4.8668 -53.8057 -27.6669 -12.0686 -27.6669 -1.77463 GPRESSAVG: 4175600 90.0089 -4.25942 -12.7628 -5.74177 -53.8729 -28.8789 -10.9972 -27.9868 -2.8015 TIMING: 4175600 CPU: 13043.3, 0.00311959/step Wall: 13043.3, 0.00311959/step, 0.714386 hours remaining, 233.875000 MB of memory in use. ENERGY: 4175600 4053.2488 20411.1735 14425.6601 252.9782 -203317.9152 2902.0182 0.0000 0.0000 52256.8131 -109016.0232 300.3206 -161272.8363 -108658.2846 299.9321 150.7111 189.9516 761667.5824 11.0600 11.1115 PRESSURE: 4175800 -4.1845 41.5622 -145.182 41.563 268.745 -298.003 -145.182 -298.004 446.28 GPRESSURE: 4175800 94.2917 131.623 -118.024 -127.97 232.804 -227.314 -104.949 -344.807 448.11 PRESSAVG: 4175800 23.6709 14.2935 -3.70118 14.2935 20.4602 -28.274 -3.70119 -28.274 -6.48139 GPRESSAVG: 4175800 23.8158 15.6643 -3.13622 13.5683 19.1629 -26.9712 -4.83345 -27.0127 -4.82225 TIMING: 4175800 CPU: 13043.9, 0.00312279/step Wall: 13043.9, 0.00312279/step, 0.714946 hours remaining, 233.875000 MB of memory in use. ENERGY: 4175800 3956.2551 20543.4845 14330.8740 238.6452 -203496.1454 2994.8226 0.0000 0.0000 52243.9258 -109188.1382 300.2466 -161432.0640 -108816.4523 300.0010 236.9470 258.4018 761693.3551 12.5499 12.7188 PRESSURE: 4176000 74.9018 -85.0416 22.4295 -85.04 -193.654 43.6312 22.429 43.6319 329.04 GPRESSURE: 4176000 44.3209 -11.2776 -59.5494 -207.696 -70.468 18.8214 -4.16887 7.00368 309.029 PRESSAVG: 4176000 -19.7569 -23.0898 37.5811 -23.0898 -13.9089 5.41104 37.5811 5.41112 6.57758 GPRESSAVG: 4176000 -20.4979 -23.0322 36.9148 -24.7936 -11.6828 4.51142 37.1817 5.52187 5.32316 TIMING: 4176000 CPU: 13044.5, 0.00311704/step Wall: 13044.5, 0.00311704/step, 0.713456 hours remaining, 233.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4176000 4027.0079 20594.7317 14433.4420 259.7435 -202967.0709 2470.7600 0.0000 0.0000 52167.0760 -109014.3098 299.8049 -161181.3858 -108644.9436 299.9963 70.0957 94.2941 761899.1083 -9.0294 -8.9525 PRESSURE: 4176200 381.857 54.3456 131.945 54.3454 222.31 -185.849 131.945 -185.848 68.2917 GPRESSURE: 4176200 405.229 -76.4597 156.954 18.8856 213.255 -127.292 64.4887 -205.916 130.889 PRESSAVG: 4176200 -16.1656 18.0325 30.2836 18.0325 -28.5129 -25.2661 30.2836 -25.2661 18.0945 GPRESSAVG: 4176200 -16.6946 16.3359 30.027 20.187 -28.4579 -25.0871 29.1141 -25.3897 18.2974 TIMING: 4176200 CPU: 13045.1, 0.00312703/step Wall: 13045.1, 0.00312703/step, 0.71557 hours remaining, 233.875000 MB of memory in use. ENERGY: 4176200 3991.1500 20645.3462 14402.6883 246.8981 -203255.2899 2792.0965 0.0000 0.0000 52173.3556 -109003.7552 299.8410 -161177.1109 -108652.1930 299.6184 224.1528 249.7910 763065.6817 -8.8613 -8.9517 LDB: ============= START OF LOAD BALANCING ============== 13057.6 LDB: ============== END OF LOAD BALANCING =============== 13057.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13057.6 LDB: ============= START OF LOAD BALANCING ============== 13057.9 LDB: Largest compute 7026 load 0.030870 is 15.8% of average load 0.195141 LDB: Average compute 0.004417 is 2.3% of average load 0.195141 LDB: TIME 13057.9 LOAD: AVG 0.195141 MAX 0.219207 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.32 MB LDB: TIME 13057.9 LOAD: AVG 0.195141 MAX 0.219207 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.379 MB LDB: TIME 13057.9 LOAD: AVG 0.195141 MAX 0.216749 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.379 MB LDB: ============== END OF LOAD BALANCING =============== 13057.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13058 PRESSURE: 4176400 -130.211 95.8884 -32.5599 95.8879 -352.787 109.148 -32.5604 109.149 -256.264 GPRESSURE: 4176400 -129.018 56.049 74.859 121.853 -249.724 97.0456 -29.6885 3.18139 -270.74 PRESSAVG: 4176400 33.5829 20.9418 34.1839 20.9418 -55.8656 -33.6933 34.1839 -33.6933 -10.5576 GPRESSAVG: 4176400 35.7883 20.1536 35.665 21.7173 -57.4375 -34.3858 35.0913 -33.2718 -10.6432 TIMING: 4176400 CPU: 13045.8, 0.00320648/step Wall: 13045.8, 0.00320648/step, 0.733572 hours remaining, 236.574219 MB of memory in use. ENERGY: 4176400 4042.4275 20764.5067 14376.1500 254.1306 -203151.3050 2554.9053 0.0000 0.0000 52259.6709 -108899.5141 300.3370 -161159.1850 -108537.7985 300.0643 -246.4208 -216.4940 762160.3066 -10.9468 -10.7642 PRESSURE: 4176600 281.965 84.4047 -53.5253 84.4054 -1.1988 249.261 -53.5255 249.261 48.8624 GPRESSURE: 4176600 275.27 68.1994 -10.0403 56.2185 113.962 201.29 -11.3198 221.337 21.1648 PRESSAVG: 4176600 20.4267 34.0136 50.1697 34.0136 -22.6758 40.1695 50.1697 40.1695 11.1864 GPRESSAVG: 4176600 19.5486 36.2688 49.7279 32.6426 -20.9033 40.4056 50.2089 40.0586 10.8462 TIMING: 4176600 CPU: 13046.4, 0.00313711/step Wall: 13046.4, 0.00313711/step, 0.717526 hours remaining, 236.777344 MB of memory in use. ENERGY: 4176600 3996.6539 20526.4231 14397.6919 255.0580 -203380.9342 2982.2221 0.0000 0.0000 52165.1955 -109057.6896 299.7941 -161222.8851 -108686.8993 299.6473 109.8763 136.7991 764256.1482 2.9791 3.1638 PRESSURE: 4176800 -133.058 127.649 217.5 127.65 -3.8233 -148.303 217.5 -148.303 -270.91 GPRESSURE: 4176800 -84.4912 254.919 282.369 136.86 66.2914 -127.3 113.257 -145.091 -294.608 PRESSAVG: 4176800 28.6979 60.2876 -13.4566 60.2876 11.5202 37.2857 -13.4566 37.2857 17.7463 GPRESSAVG: 4176800 28.1917 56.3007 -15.6453 63.0137 10.8901 38.9478 -14.8685 38.4883 19.1232 TIMING: 4176800 CPU: 13047, 0.00313264/step Wall: 13047, 0.00313264/step, 0.716331 hours remaining, 236.777344 MB of memory in use. ENERGY: 4176800 4020.5989 20666.8808 14415.1313 239.8930 -203333.4020 2529.4766 0.0000 0.0000 52165.7079 -109295.7134 299.7970 -161461.4213 -108933.4515 299.6399 -135.9303 -104.2693 762538.3787 19.3215 19.4017 PRESSURE: 4177000 -8.45956 70.7121 154.039 70.7113 -125.026 -62.0231 154.039 -62.0233 66.014 GPRESSURE: 4177000 -5.79913 -7.34818 109.391 87.2347 -60.7602 -79.6414 143.061 -77.0331 89.3976 PRESSAVG: 4177000 35.7088 -20.8383 -20.1299 -20.8383 -12.9121 61.3419 -20.1299 61.3419 12.0374 GPRESSAVG: 4177000 35.4803 -18.6897 -18.1995 -21.3858 -12.9901 58.146 -19.1873 61.8007 12.658 TIMING: 4177000 CPU: 13047.7, 0.00312566/step Wall: 13047.7, 0.00312566/step, 0.714562 hours remaining, 236.835938 MB of memory in use. ENERGY: 4177000 4073.7575 20719.2175 14476.9063 255.9201 -203469.3076 2794.1964 0.0000 0.0000 51910.7987 -109238.5112 298.3321 -161149.3099 -108878.3992 299.1688 -22.4904 7.6128 761808.7765 11.6114 11.7161 PRESSURE: 4177200 -275.987 -158.941 -66.8217 -158.941 -207.493 -103.584 -66.8224 -103.583 -7.60487 GPRESSURE: 4177200 -202.905 -222.469 -90.3601 -84.9133 -198.08 -56.3109 -32.9968 -50.3901 -12.3312 PRESSAVG: 4177200 -34.9869 -31.7225 20.9956 -31.7225 1.2361 5.62549 20.9956 5.62543 2.17931 GPRESSAVG: 4177200 -33.9048 -33.4171 21.0343 -31.2923 1.83845 7.45174 20.1949 5.06828 0.461441 TIMING: 4177200 CPU: 13048.3, 0.00312669/step Wall: 13048.3, 0.00312669/step, 0.714623 hours remaining, 236.835938 MB of memory in use. ENERGY: 4177200 4004.7479 20580.4782 14416.1833 241.2282 -203033.1628 2402.0778 0.0000 0.0000 52267.9899 -109120.4575 300.3849 -161388.4474 -108760.1928 299.4032 -163.6950 -137.7719 764458.1023 -10.5238 -10.5350 PRESSURE: 4177400 -205.737 -186.334 132.772 -186.334 362.587 200.162 132.773 200.163 -76.1006 GPRESSURE: 4177400 -147.785 -121.582 86.3789 -140.306 317.331 195.559 252.148 131.648 -11.4058 PRESSAVG: 4177400 9.86922 -38.8853 42.6421 -38.8853 43.5881 30.0956 42.6422 30.0955 22.747 GPRESSAVG: 4177400 9.90781 -36.2036 42.3826 -40.8055 44.0646 29.8052 44.1789 31.0269 22.2257 TIMING: 4177400 CPU: 13048.9, 0.0031295/step Wall: 13048.9, 0.0031295/step, 0.715092 hours remaining, 236.835938 MB of memory in use. ENERGY: 4177400 4003.7300 20813.4010 14422.1633 249.0904 -203369.3199 2794.0324 0.0000 0.0000 51864.3250 -109222.5777 298.0650 -161086.9028 -108858.1879 299.5330 26.9167 52.7133 760129.3056 25.4014 25.3994 PRESSURE: 4177600 66.4224 135.707 -50.6548 135.706 -182.761 -60.0249 -50.6545 -60.0258 240.571 GPRESSURE: 4177600 65.8504 79.9579 -56.7848 152.095 -62.3279 -73.3268 -79.6898 -38.8167 192.095 PRESSAVG: 4177600 12.4843 -56.0956 2.57199 -56.0956 56.0675 38.6335 2.572 38.6335 -8.5909 GPRESSAVG: 4177600 11.9645 -57.2669 2.67221 -55.381 56.5575 38.4157 0.162279 36.4281 -9.38888 TIMING: 4177600 CPU: 13049.5, 0.00312781/step Wall: 13049.5, 0.00312782/step, 0.714532 hours remaining, 236.835938 MB of memory in use. ENERGY: 4177600 3951.4219 20607.3316 14450.2277 259.3682 -203064.3053 2518.7537 0.0000 0.0000 52162.6195 -109114.5827 299.7793 -161277.2022 -108745.8879 299.5969 41.4107 65.2058 761730.3391 19.9870 19.7110 PRESSURE: 4177800 -96.8223 -77.5016 -50.9933 -77.5017 250.539 47.2623 -50.993 47.2618 -182.173 GPRESSURE: 4177800 -23.5934 -29.1927 47.1819 -153.085 271.242 -13.9472 -17.7547 98.3553 -173.349 PRESSAVG: 4177800 -28.9283 -7.55794 7.52883 -7.55793 2.17929 42.3041 7.52883 42.3042 -13.5033 GPRESSAVG: 4177800 -28.3926 -5.83635 5.29366 -9.04835 1.58639 44.2797 10.9895 43.4657 -13.2345 TIMING: 4177800 CPU: 13050.2, 0.00313864/step Wall: 13050.2, 0.00313864/step, 0.71683 hours remaining, 236.835938 MB of memory in use. ENERGY: 4177800 3958.9950 20734.4410 14445.0368 251.1720 -202875.7083 2548.3472 0.0000 0.0000 51847.7252 -109089.9911 297.9696 -160937.7163 -108719.1967 299.2414 -9.4855 24.7667 763376.1644 -13.4174 -13.3469 PRESSURE: 4178000 237.745 -196.911 -63.5191 -196.91 515.851 98.7596 -63.5188 98.759 227.201 GPRESSURE: 4178000 259.069 -143.091 1.86013 -87.7795 593.996 66.3558 -126.343 10.4988 218.772 PRESSAVG: 4178000 63.9464 -58.5423 28.2514 -58.5423 -4.55386 53.6829 28.2514 53.6828 4.01448 GPRESSAVG: 4178000 62.6262 -58.8686 30.0683 -57.2666 -3.4119 51.3015 27.4864 55.3701 4.44006 TIMING: 4178000 CPU: 13050.8, 0.00310752/step Wall: 13050.8, 0.00310752/step, 0.709551 hours remaining, 236.835938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4178000 3943.4771 20480.7225 14403.6891 235.3179 -203446.7971 3245.4142 0.0000 0.0000 52030.0191 -109108.1571 299.0172 -161138.1763 -108742.0737 299.3413 326.9321 357.2790 762125.5809 21.1357 21.2181 PRESSURE: 4178200 -200.007 174.117 57.5793 174.117 -31.4972 247.728 57.5788 247.728 62.8026 GPRESSURE: 4178200 -133.94 194.182 84.9776 143.337 -1.27061 208.244 106.564 227.585 56.8117 PRESSAVG: 4178200 22.722 -22.2706 -19.1192 -22.2706 41.0245 17.5396 -19.1192 17.5395 -0.688183 GPRESSAVG: 4178200 24.2109 -22.8159 -19.4534 -22.1066 39.6266 17.9295 -19.2293 18.0581 -1.46648 TIMING: 4178200 CPU: 13051.4, 0.00313379/step Wall: 13051.4, 0.00313379/step, 0.715375 hours remaining, 236.835938 MB of memory in use. ENERGY: 4178200 4020.3724 20426.2805 14490.6621 245.9641 -203022.2953 2581.7937 0.0000 0.0000 51726.8292 -109530.3933 297.2748 -161257.2225 -109172.0708 298.5978 -56.2340 -26.1331 764196.5326 21.0195 20.7904 PRESSURE: 4178400 -143.946 -51.2119 78.518 -51.2123 -158.103 -72.912 78.5167 -72.9125 -82.4906 GPRESSURE: 4178400 -143.117 -62.5224 152.922 -38.9968 -56.6973 -64.8396 -27.8158 -72.3815 -102.808 PRESSAVG: 4178400 63.6929 5.76645 -22.3901 5.76637 -39.3428 -4.16418 -22.3901 -4.1642 -8.94932 GPRESSAVG: 4178400 63.3492 5.35179 -23.1747 6.868 -39.1726 -4.49394 -22.5578 -4.54976 -8.44913 TIMING: 4178400 CPU: 13052, 0.00313083/step Wall: 13052, 0.00313083/step, 0.714524 hours remaining, 236.972656 MB of memory in use. ENERGY: 4178400 3924.4388 20429.6044 14395.8477 252.7578 -202737.9425 2504.0166 0.0000 0.0000 51754.1896 -109477.0876 297.4320 -161231.2772 -109114.1131 298.3228 -128.1797 -100.8740 762620.2110 5.1336 5.2425 PRESSURE: 4178600 35.2748 -110.265 -158.358 -110.265 92.7766 -175.666 -158.358 -175.666 -124.528 GPRESSURE: 4178600 53.0801 -37.1089 -176.192 -113.045 87.8507 -150.271 -181.639 -36.6212 -55.5015 PRESSAVG: 4178600 -34.0524 3.85934 -40.1305 3.85936 38.1752 13.7044 -40.1306 13.7044 1.89349 GPRESSAVG: 4178600 -34.8427 4.34062 -39.0848 2.75555 38.1253 15.7426 -41.0188 12.1596 2.89384 TIMING: 4178600 CPU: 13052.7, 0.00314523/step Wall: 13052.7, 0.00314523/step, 0.717636 hours remaining, 236.972656 MB of memory in use. ENERGY: 4178600 3946.2318 20584.4411 14418.8962 249.8997 -203402.6786 2713.1685 0.0000 0.0000 52051.5552 -109438.4861 299.1410 -161490.0413 -109073.0233 298.6234 1.1746 28.4765 762762.9410 2.0054 2.0588 PRESSURE: 4178800 -155.101 -79.8962 134.004 -79.896 -24.0909 17.7697 134.004 17.77 -155.068 GPRESSURE: 4178800 -69.6293 -45.5175 40.9746 -90.1425 -21.5614 65.8275 159.175 -9.56724 -164.197 PRESSAVG: 4178800 89.4056 1.8354 17.3925 1.83536 -37.9861 16.5576 17.3925 16.5576 -21.0734 GPRESSAVG: 4178800 90.6136 3.20493 16.6683 1.24858 -37.6675 15.5068 20.1779 15.4694 -22.1668 TIMING: 4178800 CPU: 13053.3, 0.00315044/step Wall: 13053.3, 0.00315044/step, 0.71865 hours remaining, 236.972656 MB of memory in use. ENERGY: 4178800 4040.2513 20450.8121 14380.5430 235.2770 -203553.2087 2878.1956 0.0000 0.0000 52161.4194 -109406.7102 299.7724 -161568.1296 -109041.7147 298.7492 -111.4199 -85.1293 762184.4987 10.1154 10.2598 PRESSURE: 4179000 -316.654 -51.0711 171.655 -51.0717 -88.0103 -2.6276 171.656 -2.62724 33.7677 GPRESSURE: 4179000 -199.953 -24.2253 66.7621 30.1781 -89.6493 104.261 158.562 -111.948 -3.10132 PRESSAVG: 4179000 10.2648 -20.732 -40.7581 -20.732 -15.3862 26.611 -40.758 26.6111 12.72 GPRESSAVG: 4179000 10.8854 -20.8949 -40.3054 -20.5885 -15.5005 28.2038 -43.0318 27.1965 12.579 TIMING: 4179000 CPU: 13053.9, 0.00310879/step Wall: 13053.9, 0.00310879/step, 0.708977 hours remaining, 236.972656 MB of memory in use. ENERGY: 4179000 3981.8183 20606.2996 14469.9586 244.2663 -202936.3503 2507.4985 0.0000 0.0000 51640.3846 -109486.1245 296.7780 -161126.5091 -109133.9844 298.6621 -123.6320 -97.5680 762966.4509 2.5329 2.6546 PRESSURE: 4179200 -112.04 41.6029 -225.568 41.6023 -85.6936 96.3023 -225.567 96.3009 -351.667 GPRESSURE: 4179200 -68.9092 34.4201 -176.017 31.4885 -54.6044 189.071 -159.086 11.9914 -338.683 PRESSAVG: 4179200 30.7173 -2.06914 -27.3016 -2.0692 3.12392 -1.9833 -27.3017 -1.98336 4.71059 GPRESSAVG: 4179200 29.7346 -1.28426 -26.5814 -1.32584 4.45828 -2.49261 -27.2057 -2.63871 4.28513 TIMING: 4179200 CPU: 13054.6, 0.00313149/step Wall: 13054.6, 0.00313149/step, 0.71398 hours remaining, 236.972656 MB of memory in use. ENERGY: 4179200 4053.2595 20514.0940 14415.6602 238.5410 -203179.0057 2544.6664 0.0000 0.0000 52103.6511 -109309.1334 299.4404 -161412.7845 -108940.1039 298.3483 -183.1337 -154.0654 762026.9325 12.8506 12.8260 PRESSURE: 4179400 -76.5042 44.2591 -92.4461 44.2595 226.333 162.245 -92.4453 162.244 -108.274 GPRESSURE: 4179400 -135.51 -44.7085 -45.9882 -1.73592 275.477 79.2425 24.6888 124.36 -45.5642 PRESSAVG: 4179400 -23.7134 -9.86883 -12.5885 -9.86884 1.10085 -0.676826 -12.5885 -0.676892 -4.1539 GPRESSAVG: 4179400 -23.4682 -10.5939 -12.3539 -10.699 -0.800528 -2.3462 -10.8824 1.14125 -2.5059 TIMING: 4179400 CPU: 13055.2, 0.00311314/step Wall: 13055.2, 0.00311314/step, 0.709624 hours remaining, 236.972656 MB of memory in use. ENERGY: 4179400 3992.9937 20605.9661 14467.0890 233.6377 -203165.4453 2516.2551 0.0000 0.0000 51996.2338 -109353.2698 298.8231 -161349.5036 -108993.7447 298.7074 13.8515 31.4679 762128.3928 -8.9222 -8.9249 PRESSURE: 4179600 65.7911 -209.66 29.2501 -209.66 -192.822 -131.388 29.2497 -131.389 75.6657 GPRESSURE: 4179600 11.1133 -230.692 85.5254 -200.479 -85.9255 -136.311 45.9403 -85.0854 132.247 PRESSAVG: 4179600 -11.7135 11.5465 23.2849 11.5465 28.1061 18.6213 23.285 18.6213 2.31241 GPRESSAVG: 4179600 -12.3782 12.1482 21.7041 9.66878 29.0057 19.1458 24.3449 18.111 1.60719 TIMING: 4179600 CPU: 13055.8, 0.00310443/step Wall: 13055.8, 0.00310443/step, 0.707464 hours remaining, 236.972656 MB of memory in use. ENERGY: 4179600 4001.2564 20525.4536 14357.5944 271.0926 -203314.4579 2980.7811 0.0000 0.0000 51823.3488 -109354.9310 297.8295 -161178.2798 -108987.5704 298.5904 -17.1216 19.1449 762062.6722 6.2350 6.0782 PRESSURE: 4179800 -121.821 4.28034 230.829 4.28039 236.866 66.6217 230.828 66.6211 65.7655 GPRESSURE: 4179800 -9.98115 47.4626 379.77 -10.895 200.306 30.0755 270.2 55.7793 68.0404 PRESSAVG: 4179800 -43.8671 -41.6682 70.7672 -41.6682 33.4702 -20.0747 70.7672 -20.0747 -13.8275 GPRESSAVG: 4179800 -42.7798 -42.2928 72.7095 -40.2204 33.4374 -20.4973 69.206 -21.5606 -14.7634 TIMING: 4179800 CPU: 13056.4, 0.00312098/step Wall: 13056.4, 0.00312098/step, 0.711063 hours remaining, 236.972656 MB of memory in use. ENERGY: 4179800 4021.2985 20473.3910 14347.0531 240.7934 -203124.6397 2579.9805 0.0000 0.0000 51925.5627 -109536.5606 298.4169 -161462.1232 -109175.1471 298.8413 60.2704 86.1219 761761.7450 -8.0748 -8.0353 PRESSURE: 4180000 27.7928 -159.986 -122.607 -159.987 186.048 -6.96697 -122.606 -6.9674 138.469 GPRESSURE: 4180000 120.507 -152.862 -60.9473 -51.7336 158.934 66.6222 -136.869 -3.61828 174.543 PRESSAVG: 4180000 66.6387 -23.7421 -1.95914 -23.7421 1.69067 37.3416 -1.95908 37.3416 -3.96993 GPRESSAVG: 4180000 66.4329 -24.5478 -2.63078 -22.8764 1.45065 36.8603 0.220661 38.4845 -3.67326 TIMING: 4180000 CPU: 13057, 0.00311799/step Wall: 13057, 0.00311799/step, 0.710208 hours remaining, 236.972656 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: 4180000 3999.9387 20439.4094 14399.5266 228.8091 -202927.8089 2542.5108 0.0000 0.0000 51920.3221 -109397.2922 298.3868 -161317.6143 -109032.5358 298.1774 117.4366 151.3281 761908.4949 21.4531 21.4034 PRESSURE: 4180200 -101.756 65.1182 -32.7049 65.1176 39.5323 128.495 -32.7051 128.495 106.395 GPRESSURE: 4180200 -53.855 187.234 -27.5268 70.7555 67.9014 131.76 -97.2014 89.3213 111.899 PRESSAVG: 4180200 19.7483 21.0817 -4.41252 21.0817 -57.3263 53.48 -4.41251 53.4801 -2.55774 GPRESSAVG: 4180200 18.8576 21.1944 -2.97198 21.9498 -56.1177 53.9701 -7.58777 55.5323 -2.56559 TIMING: 4180200 CPU: 13057.7, 0.0031136/step Wall: 13057.7, 0.0031136/step, 0.709035 hours remaining, 236.972656 MB of memory in use. ENERGY: 4180200 3980.4734 20556.2662 14448.9799 245.5652 -203769.1169 2982.5262 0.0000 0.0000 52166.0220 -109389.2840 299.7988 -161555.3060 -109027.0896 298.6838 14.7236 41.9819 760965.1663 -13.3786 -13.2752 LDB: ============= START OF LOAD BALANCING ============== 13070.1 LDB: ============== END OF LOAD BALANCING =============== 13070.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13070.1 LDB: ============= START OF LOAD BALANCING ============== 13070.5 LDB: Largest compute 7060 load 0.030262 is 15.5% of average load 0.195179 LDB: Average compute 0.004389 is 2.2% of average load 0.195179 LDB: TIME 13070.5 LOAD: AVG 0.195179 MAX 0.217245 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.238 MB LDB: TIME 13070.5 LOAD: AVG 0.195179 MAX 0.217245 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.238 MB LDB: TIME 13070.5 LOAD: AVG 0.195179 MAX 0.217245 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.238 MB LDB: ============== END OF LOAD BALANCING =============== 13070.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13070.5 PRESSURE: 4180400 -318.175 -4.40299 135.502 -4.40328 -66.2582 218.594 135.502 218.594 -157.167 GPRESSURE: 4180400 -215.061 6.04401 135.139 30.7221 -17.6592 239.024 36.1005 193.228 -223.808 PRESSAVG: 4180400 26.3923 -9.67163 -18.2007 -9.6717 1.34914 5.80503 -18.2007 5.80498 -19.1858 GPRESSAVG: 4180400 26.7263 -8.56942 -17.986 -9.84599 1.60395 5.99027 -17.2135 2.83403 -19.8876 TIMING: 4180400 CPU: 13058.3, 0.0031668/step Wall: 13058.3, 0.0031668/step, 0.720974 hours remaining, 233.750000 MB of memory in use. ENERGY: 4180400 3968.8547 20685.3963 14390.6432 265.7370 -202950.2187 2601.7391 0.0000 0.0000 51970.2058 -109067.6425 298.6735 -161037.8484 -108707.1836 299.7988 -180.5334 -152.1758 762597.5508 2.8519 2.8142 PRESSURE: 4180600 -25.6662 -91.8705 -49.4646 -91.8698 -165.39 43.243 -49.4648 43.2431 -38.5994 GPRESSURE: 4180600 -58.4329 -6.2937 -35.3325 -190.424 -135.485 72.1504 11.6935 -25.0273 42.1147 PRESSAVG: 4180600 -29.812 -32.869 5.60256 -32.869 27.0713 -10.1735 5.60255 -10.1735 -2.56948 GPRESSAVG: 4180600 -29.8258 -34.7383 4.53268 -34.5715 26.6068 -10.0063 4.18965 -8.24855 -1.71048 TIMING: 4180600 CPU: 13058.9, 0.00309916/step Wall: 13058.9, 0.00309916/step, 0.705403 hours remaining, 233.750000 MB of memory in use. ENERGY: 4180600 4015.5949 20481.4864 14495.5262 252.4062 -203148.7143 2604.3253 0.0000 0.0000 52342.2708 -108957.1046 300.8117 -161299.3754 -108589.1652 299.9479 -76.5518 -50.6010 763277.5120 -1.7701 -1.6432 PRESSURE: 4180800 65.4486 -404.898 -266.458 -404.897 -29.9213 -137.136 -266.458 -137.136 25.9256 GPRESSURE: 4180800 95.6891 -320.964 -210.224 -424.196 -34.7678 -159.66 -220.823 -12.2175 89.0122 PRESSAVG: 4180800 28.1765 -46.5191 -15.9817 -46.5192 -44.5182 51.2205 -15.9817 51.2206 -6.66191 GPRESSAVG: 4180800 28.269 -43.7482 -15.7993 -47.8826 -44.841 51.5229 -14.8701 52.8327 -7.26158 TIMING: 4180800 CPU: 13059.5, 0.00310597/step Wall: 13059.5, 0.00310597/step, 0.70678 hours remaining, 233.750000 MB of memory in use. ENERGY: 4180800 4012.6147 20413.7006 14480.2333 251.7212 -202840.7559 2642.7982 0.0000 0.0000 52223.1528 -108816.5351 300.1272 -161039.6879 -108452.2090 299.4478 20.4843 49.9778 762962.6518 -7.6679 -7.9445 PRESSURE: 4181000 68.8865 -255.456 50.248 -255.456 -96.2505 -136.275 50.2484 -136.276 -158.122 GPRESSURE: 4181000 29.1737 -69.5912 109.73 -189.294 1.9064 -89.7898 -21.0504 -113.934 -130.609 PRESSAVG: 4181000 62.1363 -5.20355 10.6149 -5.20357 -46.2784 17.9254 10.6149 17.9254 0.89183 GPRESSAVG: 4181000 62.4831 -6.56865 11.205 -3.37768 -47.001 17.9776 9.41497 14.8588 0.814479 TIMING: 4181000 CPU: 13060.2, 0.00311454/step Wall: 13060.2, 0.00311454/step, 0.708558 hours remaining, 233.750000 MB of memory in use. ENERGY: 4181000 3980.9642 20451.3434 14477.0754 250.7102 -203003.9108 2639.1210 0.0000 0.0000 52297.1878 -108907.5087 300.5527 -161204.6965 -108537.5395 299.6581 -61.8286 -33.1762 762487.7042 5.5833 5.4322 PRESSURE: 4181200 -272.396 43.7489 139.579 43.7487 247.726 -24.9376 139.578 -24.9376 179.038 GPRESSURE: 4181200 -111.222 110.048 151.537 -48.9824 218.504 -21.6738 -3.65382 -89.4212 137.271 PRESSAVG: 4181200 -52.3827 -35.7783 10.0271 -35.7784 34.1169 -35.2118 10.0271 -35.2118 -22.9662 GPRESSAVG: 4181200 -52.8778 -34.6807 9.61415 -36.2357 35.8018 -36.8105 9.48198 -34.0412 -23.5516 TIMING: 4181200 CPU: 13060.8, 0.00312913/step Wall: 13060.8, 0.00312913/step, 0.711703 hours remaining, 233.750000 MB of memory in use. ENERGY: 4181200 3983.5102 20540.7205 14415.2980 261.0827 -203165.0913 2925.3346 0.0000 0.0000 52011.0482 -109028.0971 298.9082 -161039.1454 -108664.3072 299.3254 51.4560 81.5179 763646.1575 -13.7440 -13.5425 PRESSURE: 4181400 -60.8281 -171.405 60.862 -171.404 299.661 -200.811 60.8618 -200.811 248.315 GPRESSURE: 4181400 -61.4738 -108.701 69.9184 -188.626 392.891 -215.879 105.824 -113.403 232.426 PRESSAVG: 4181400 -56.1498 -42.2161 0.360795 -42.2161 61.3349 -12.8035 0.360857 -12.8036 8.51609 GPRESSAVG: 4181400 -55.7858 -42.2782 -0.295746 -43.5705 60.4943 -11.9198 1.70759 -11.5105 8.75123 TIMING: 4181400 CPU: 13061.4, 0.0031201/step Wall: 13061.4, 0.0031201/step, 0.709476 hours remaining, 233.750000 MB of memory in use. ENERGY: 4181400 4017.7172 20537.8211 14411.2308 244.9152 -203241.6350 2877.6172 0.0000 0.0000 52091.3961 -109060.9373 299.3700 -161152.3335 -108699.3712 299.5924 162.3826 187.9477 762090.6488 4.5671 4.4866 PRESSURE: 4181600 305.768 -186.909 218.306 -186.909 -48.5013 41.4773 218.306 41.4774 32.6658 GPRESSURE: 4181600 280.405 -203.156 203.642 -34.6218 43.9415 22.6704 115.441 0.591077 44.8458 PRESSAVG: 4181600 23.632 -56.521 -5.49396 -56.521 22.3282 -30.6356 -5.49399 -30.6355 16.2434 GPRESSAVG: 4181600 23.4632 -58.4326 -5.15944 -54.8859 21.5835 -30.2819 -4.37664 -33.3355 17.182 TIMING: 4181600 CPU: 13062, 0.00311907/step Wall: 13062, 0.00311907/step, 0.709068 hours remaining, 233.750000 MB of memory in use. ENERGY: 4181600 3995.7853 20582.4404 14442.2166 245.5360 -203346.9634 2966.8303 0.0000 0.0000 52055.6289 -109058.5259 299.1644 -161114.1548 -108695.8876 298.9994 96.6440 123.0642 762601.0550 20.7345 20.7429 PRESSURE: 4181800 -99.9001 20.6397 131.937 20.6396 -311.349 -133.427 131.937 -133.426 14.2406 GPRESSURE: 4181800 -68.5653 -78.1651 176.289 6.17049 -290.333 -105.201 192.871 -185.516 41.9446 PRESSAVG: 4181800 -24.391 -36.6269 44.8861 -36.6269 -17.0843 -19.8534 44.8862 -19.8535 -16.8973 GPRESSAVG: 4181800 -23.246 -36.2364 43.0112 -35.7888 -17.1568 -19.3326 45.2619 -19.2412 -17.8035 TIMING: 4181800 CPU: 13062.7, 0.00311951/step Wall: 13062.7, 0.00311951/step, 0.708996 hours remaining, 233.750000 MB of memory in use. ENERGY: 4181800 3918.2849 20651.4057 14422.2627 260.9808 -202653.2479 2406.8791 0.0000 0.0000 52155.0759 -108838.3588 299.7359 -160993.4347 -108477.3019 299.8357 -132.3363 -105.6514 764027.6795 -19.4575 -19.4021 PRESSURE: 4182000 -166.892 9.73812 258.747 9.73948 -387.814 62.113 258.748 62.1131 -506.786 GPRESSURE: 4182000 -134.415 72.5338 234.028 47.3651 -284.241 95.8747 225.1 -11.1443 -548.171 PRESSAVG: 4182000 15.2057 -16.4832 3.65099 -16.4832 -31.0924 -32.0249 3.65103 -32.0249 5.02339 GPRESSAVG: 4182000 14.8784 -16.349 4.67693 -18.3387 -30.6704 -33.3152 3.0328 -30.4752 5.54406 TIMING: 4182000 CPU: 13063.3, 0.00312698/step Wall: 13063.3, 0.00312698/step, 0.710519 hours remaining, 233.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4182000 3919.0941 20483.5384 14462.2023 252.1003 -202780.4690 2362.9884 0.0000 0.0000 52373.1787 -108927.3669 300.9894 -161300.5456 -108560.6453 299.7808 -353.8304 -322.2757 763975.2073 -3.6211 -3.4160 PRESSURE: 4182200 88.352 -30.6204 -164.131 -30.6208 45.0631 -230.327 -164.131 -230.328 -15.3323 GPRESSURE: 4182200 94.8301 -85.4099 -177.852 -58.6331 72.9729 -156.127 -187.373 -180.519 54.1469 PRESSAVG: 4182200 -5.93056 -3.7049 -12.3029 -3.70493 21.4507 -45.756 -12.3029 -45.7561 -17.5738 GPRESSAVG: 4182200 -5.11921 -2.409 -10.9243 -1.95898 21.693 -44.9415 -14.0545 -47.2213 -19.2683 TIMING: 4182200 CPU: 13063.9, 0.00310061/step Wall: 13063.9, 0.00310061/step, 0.704356 hours remaining, 233.750000 MB of memory in use. ENERGY: 4182200 4016.5579 20588.8945 14484.2833 225.8385 -203182.3205 2633.9361 0.0000 0.0000 52350.5157 -108882.2945 300.8591 -161232.8102 -108523.0444 299.9108 39.3609 73.9833 763292.9081 -0.6846 -0.8982 PRESSURE: 4182400 -288.217 71.806 138.428 71.8065 -86.0608 147.559 138.428 147.56 18.1139 GPRESSURE: 4182400 -322.318 179.962 54.5605 145.8 16.6696 216.213 174.131 84.4082 22.4636 PRESSAVG: 4182400 20.3375 -4.41127 -5.24294 -4.41131 29.2365 32.6571 -5.24291 32.6571 -10.7356 GPRESSAVG: 4182400 19.1503 -5.97642 -6.42104 -4.50765 27.8764 33.1286 -2.91653 35.0163 -8.88253 TIMING: 4182400 CPU: 13064.5, 0.00311751/step Wall: 13064.5, 0.00311751/step, 0.708022 hours remaining, 233.750000 MB of memory in use. ENERGY: 4182400 4004.2728 20537.4838 14389.0593 257.9892 -202896.3702 2704.6369 0.0000 0.0000 52180.4731 -108822.4551 299.8819 -161002.9281 -108454.5624 300.1263 -118.7212 -94.3948 763289.5703 12.9461 12.7147 PRESSURE: 4182600 26.1329 -19.8862 -166.384 -19.8854 296.199 -204.951 -166.384 -204.95 26.0157 GPRESSURE: 4182600 53.6202 4.13907 -199.921 105.67 330.154 -246.648 89.4283 -250.523 51.2863 PRESSAVG: 4182600 27.2564 -3.68467 46.5882 -3.68467 -21.7326 -12.1145 46.5882 -12.1144 -17.2901 GPRESSAVG: 4182600 25.9338 -5.35667 46.0608 -2.76312 -20.9269 -11.3409 45.9749 -11.3592 -16.442 TIMING: 4182600 CPU: 13065.2, 0.00311311/step Wall: 13065.2, 0.00311311/step, 0.70685 hours remaining, 233.750000 MB of memory in use. ENERGY: 4182600 4023.8350 20565.3196 14419.3926 268.9138 -203435.1394 2934.1642 0.0000 0.0000 52219.4815 -109004.0327 300.1061 -161223.5143 -108644.4053 300.2051 116.1157 145.0203 761988.2091 -3.9221 -3.8117 PRESSURE: 4182800 74.1536 88.324 -49.1051 88.3231 135.169 -191.32 -49.1056 -191.32 224.798 GPRESSURE: 4182800 71.3574 -17.7462 -34.7044 87.7627 198.245 -186.176 -70.2556 -31.2153 262.178 PRESSAVG: 4182800 -26.8695 -30.3917 43.4125 -30.3917 40.2588 -0.263783 43.4126 -0.263804 1.74799 GPRESSAVG: 4182800 -25.022 -29.8657 46.1583 -30.9078 39.2024 -0.868032 42.4823 -1.07064 1.32471 TIMING: 4182800 CPU: 13065.8, 0.00311852/step Wall: 13065.8, 0.00311852/step, 0.707905 hours remaining, 233.750000 MB of memory in use. ENERGY: 4182800 3984.4369 20485.7651 14533.7108 249.4620 -203321.9525 2730.8882 0.0000 0.0000 52279.0357 -109058.6539 300.4483 -161337.6896 -108700.7140 300.1026 144.7069 177.2604 761721.2621 5.0458 5.1684 PRESSURE: 4183000 131.19 47.461 -107.32 47.4616 -257.775 16.0808 -107.32 16.0799 -347.071 GPRESSURE: 4183000 22.6103 56.458 -207.215 -2.87494 -136.066 46.0376 -71.9737 -11.0801 -269.975 PRESSAVG: 4183000 -2.0909 5.40431 -3.58139 5.40432 42.1186 -9.47424 -3.58137 -9.47429 10.1488 GPRESSAVG: 4183000 -2.64828 7.39965 -5.16414 3.36975 43.3989 -10.698 -3.55522 -8.6147 10.007 TIMING: 4183000 CPU: 13066.4, 0.00311118/step Wall: 13066.4, 0.00311118/step, 0.706066 hours remaining, 233.750000 MB of memory in use. ENERGY: 4183000 3959.5364 20685.3653 14440.6534 248.9262 -203386.8621 2779.6455 0.0000 0.0000 52093.4531 -109179.2821 299.3818 -161272.7352 -108823.9956 299.7721 -157.8854 -127.8102 762676.2830 16.7255 16.9192 PRESSURE: 4183200 219.937 -33.6471 61.4471 -33.6473 210.573 -45.1518 61.4475 -45.1507 198.41 GPRESSURE: 4183200 184.199 -129.795 104.293 -64.8232 225.147 18.3981 150.115 14.7426 294.859 PRESSAVG: 4183200 -27.5946 -30.4735 -47.1137 -30.4736 34.1173 22.2132 -47.1137 22.2133 6.64567 GPRESSAVG: 4183200 -26.1648 -30.4142 -48.5852 -30.4839 32.5047 21.9628 -47.6698 20.1163 6.75616 TIMING: 4183200 CPU: 13067, 0.00308858/step Wall: 13067, 0.00308858/step, 0.700765 hours remaining, 233.750000 MB of memory in use. ENERGY: 4183200 3998.2460 20588.8733 14425.7779 232.0937 -203527.5877 2981.3688 0.0000 0.0000 52229.4443 -109071.7837 300.1633 -161301.2280 -108718.2077 299.8870 209.6401 234.7353 763798.5436 4.3894 4.3654 PRESSURE: 4183400 265.531 36.8121 -77.3858 36.8122 -109.674 -104.276 -77.3855 -104.275 -11.6408 GPRESSURE: 4183400 171.587 55.9714 -124.379 171.139 -12.7802 -157.124 63.6649 -53.9098 55.5875 PRESSAVG: 4183400 1.6706 10.4836 -16.7795 10.4836 -8.52616 41.5002 -16.7795 41.5003 1.4775 GPRESSAVG: 4183400 2.19322 9.47162 -15.929 9.33151 -8.80803 41.591 -15.4081 41.7015 2.0835 TIMING: 4183400 CPU: 13067.6, 0.00311065/step Wall: 13067.6, 0.00311065/step, 0.705599 hours remaining, 233.750000 MB of memory in use. ENERGY: 4183400 3980.4690 20588.4403 14423.5034 265.4361 -203395.8823 2850.7754 0.0000 0.0000 52076.8709 -109210.3872 299.2865 -161287.2582 -108845.6704 299.2602 48.0722 71.4649 762123.6561 -1.7927 -1.5104 PRESSURE: 4183600 106.486 -211.338 -162.753 -211.337 -41.1335 150.406 -162.753 150.407 -14.5885 GPRESSURE: 4183600 91.0818 -239.391 -160.842 -54.8682 8.88276 54.7774 -195.938 119.022 22.1834 PRESSAVG: 4183600 -22.1247 -12.94 -81.0566 -12.94 54.7911 43.7804 -81.0566 43.7803 20.6697 GPRESSAVG: 4183600 -21.9224 -12.3109 -80.7607 -9.54365 56.5062 42.629 -83.6641 44.0529 19.0284 TIMING: 4183600 CPU: 13068.3, 0.00309776/step Wall: 13068.3, 0.00309776/step, 0.702503 hours remaining, 233.750000 MB of memory in use. ENERGY: 4183600 3957.8245 20595.6946 14492.6639 237.2222 -203168.7697 2770.3616 0.0000 0.0000 51881.0052 -109233.9976 298.1608 -161115.0028 -108878.7434 298.8401 16.9212 40.7160 762585.5123 17.7787 17.8707 PRESSURE: 4183800 85.9979 41.7708 -62.1465 41.7725 -108.208 84.4343 -62.1469 84.4337 242.522 GPRESSURE: 4183800 177.56 108.748 -43.1037 -32.4877 -118.312 20.2164 -90.1617 107.453 273.299 PRESSAVG: 4183800 -26.5619 -34.5592 2.59578 -34.5592 36.6329 -22.0726 2.59579 -22.0726 -23.5985 GPRESSAVG: 4183800 -26.9151 -32.7236 2.0189 -35.1652 35.0488 -23.0848 6.60692 -22.4698 -21.7551 TIMING: 4183800 CPU: 13068.9, 0.00310519/step Wall: 13068.9, 0.00310518/step, 0.704014 hours remaining, 233.750000 MB of memory in use. ENERGY: 4183800 3997.1286 20410.9129 14486.1356 254.8155 -203177.8456 2711.4181 0.0000 0.0000 51993.6677 -109323.7672 298.8083 -161317.4350 -108964.4385 298.8753 73.4374 110.8494 762615.7140 -4.5092 -4.5405 PRESSURE: 4184000 -504.836 -92.9374 264.283 -92.9372 -68.6629 229.33 264.283 229.328 355.861 GPRESSURE: 4184000 -290.732 -118.67 241.076 20.5602 -126.327 173.517 62.2177 164.28 278.467 PRESSAVG: 4184000 5.81528 -72.0953 -1.33146 -72.0953 -17.4099 -12.6926 -1.33146 -12.6926 6.47532 GPRESSAVG: 4184000 7.03308 -73.0778 -2.36895 -71.6463 -17.7581 -11.6043 -3.79018 -9.88785 5.4107 TIMING: 4184000 CPU: 13069.5, 0.00310467/step Wall: 13069.5, 0.00310467/step, 0.703725 hours remaining, 233.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4184000 3949.7244 20457.4065 14463.3624 243.7768 -203339.8649 2730.8932 0.0000 0.0000 51988.4685 -109506.2330 298.7784 -161494.7015 -109131.2401 298.5941 -72.5458 -46.1974 763520.8446 -1.7064 -1.7714 PRESSURE: 4184200 -422.742 19.0222 117.55 19.0219 -412.819 -109.316 117.55 -109.316 -514.827 GPRESSURE: 4184200 -486.125 -56.8353 67.5703 6.66145 -382.843 -116.762 192.086 -208.065 -405.714 PRESSAVG: 4184200 19.3764 -83.9143 8.60773 -83.9144 -31.3401 -2.57186 8.60776 -2.57179 -7.38169 GPRESSAVG: 4184200 18.2236 -83.8918 10.3798 -82.8499 -30.587 -2.37468 9.40582 -4.40456 -6.88093 TIMING: 4184200 CPU: 13070.1, 0.00309235/step Wall: 13070.1, 0.00309235/step, 0.70076 hours remaining, 233.750000 MB of memory in use. ENERGY: 4184200 3976.2517 20624.4014 14510.9196 230.7150 -202906.1467 2300.9272 0.0000 0.0000 51794.8633 -109468.0685 297.6658 -161262.9318 -109112.0007 298.5036 -450.1294 -424.8941 763287.0368 -6.4485 -6.4147 LDB: ============= START OF LOAD BALANCING ============== 13082.6 LDB: ============== END OF LOAD BALANCING =============== 13082.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13082.6 LDB: ============= START OF LOAD BALANCING ============== 13082.9 LDB: Largest compute 7007 load 0.029030 is 14.9% of average load 0.195237 LDB: Average compute 0.004401 is 2.3% of average load 0.195237 LDB: TIME 13082.9 LOAD: AVG 0.195237 MAX 0.215425 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.75 MB LDB: TIME 13082.9 LOAD: AVG 0.195237 MAX 0.215425 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.949 MB LDB: TIME 13082.9 LOAD: AVG 0.195237 MAX 0.215425 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.949 MB LDB: ============== END OF LOAD BALANCING =============== 13082.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13082.9 PRESSURE: 4184400 -12.768 -88.2776 87.3362 -88.2779 133.418 -337.328 87.3359 -337.328 -92.6025 GPRESSURE: 4184400 40.4817 -150.307 120.248 -130.865 38.1829 -233.98 -37.0349 -241.896 21.2696 PRESSAVG: 4184400 -44.9179 -56.452 -6.75808 -56.452 34.0213 -25.527 -6.75815 -25.527 -1.12079 GPRESSAVG: 4184400 -44.5367 -57.2626 -7.48137 -58.5711 33.5084 -25.1222 -7.45999 -24.5068 -0.592004 TIMING: 4184400 CPU: 13070.8, 0.00316498/step Wall: 13070.8, 0.00316497/step, 0.717043 hours remaining, 235.031250 MB of memory in use. ENERGY: 4184400 3966.2971 20641.3683 14388.2924 232.9331 -202865.4456 2418.2554 0.0000 0.0000 51640.7209 -109577.5785 296.7799 -161218.2994 -109221.8039 298.7166 9.3493 33.3114 761697.6468 -4.0058 -3.8734 PRESSURE: 4184600 20.0797 -59.9858 163.898 -59.9848 17.1923 100.093 163.897 100.095 191.279 GPRESSURE: 4184600 5.54206 -90.9958 181.181 -259.297 89.5247 35.8242 176.911 84.1528 198.651 PRESSAVG: 4184600 -5.42359 -43.0445 49.065 -43.0445 24.4619 -6.15501 49.065 -6.1551 5.54367 GPRESSAVG: 4184600 -5.29886 -43.032 49.0158 -41.29 24.0763 -6.90208 48.8619 -6.10542 5.54517 TIMING: 4184600 CPU: 13071.4, 0.00309786/step Wall: 13071.4, 0.00309786/step, 0.701665 hours remaining, 235.031250 MB of memory in use. ENERGY: 4184600 3968.0308 20628.7542 14504.1301 252.2627 -203081.9606 2602.9531 0.0000 0.0000 51627.3420 -109498.4878 296.7030 -161125.8298 -109140.0096 298.7468 76.1837 97.9059 761672.5718 8.1940 8.1075 PRESSURE: 4184800 -241.647 -2.41711 20.9177 -2.41764 -176.485 -53.0884 20.9184 -53.0889 17.1427 GPRESSURE: 4184800 -153.83 -18.9887 61.8528 58.2146 -184.111 -132.284 33.1881 -29.8174 34.9107 PRESSAVG: 4184800 -43.5295 -38.4229 20.7679 -38.423 30.4561 22.3199 20.7679 22.3198 9.93078 GPRESSAVG: 4184800 -42.7582 -37.0993 20.5564 -39.2959 29.9377 21.8246 22.4905 21.9251 10.0334 TIMING: 4184800 CPU: 13072, 0.00310684/step Wall: 13072, 0.00310684/step, 0.703526 hours remaining, 235.234375 MB of memory in use. ENERGY: 4184800 3905.0903 20413.3967 14428.7163 245.1785 -203509.6492 2705.4159 0.0000 0.0000 52425.6451 -109386.2063 301.2909 -161811.8514 -109016.5869 298.8503 -133.6634 -101.0101 762610.6378 -1.0476 -0.9291 PRESSURE: 4185000 -284.266 52.5837 -53.9425 52.5839 171.939 138.459 -53.9425 138.459 85.76 GPRESSURE: 4185000 -153.388 10.6287 -10.7832 97.5674 163.519 229.486 -121.715 82.6582 70.0212 PRESSAVG: 4185000 -55.6346 -1.88906 16.4085 -1.88904 30.0711 1.61072 16.4086 1.61072 -3.01274 GPRESSAVG: 4185000 -55.8234 -2.95535 13.9882 -0.890332 29.207 4.05447 16.1476 1.24425 -2.32812 TIMING: 4185000 CPU: 13072.6, 0.00310457/step Wall: 13072.6, 0.00310457/step, 0.702839 hours remaining, 235.234375 MB of memory in use. ENERGY: 4185000 3973.4414 20495.8204 14484.0276 268.3634 -203247.9839 2498.4900 0.0000 0.0000 52190.2418 -109337.5992 299.9380 -161527.8411 -108984.9559 299.2227 -8.8556 26.7176 761256.4714 -9.5254 -9.6482 PRESSURE: 4185200 -31.6758 222.3 189.979 222.3 336.066 240.992 189.978 240.992 119.725 GPRESSURE: 4185200 -19.6896 240.607 142.388 117.641 334.644 216.536 132.651 244.162 197.607 PRESSAVG: 4185200 -34.4541 14.625 9.86522 14.625 9.57908 51.9964 9.86525 51.9964 -0.0244876 GPRESSAVG: 4185200 -35.7083 16.4278 12.2463 14.5407 12.6549 51.3564 8.42126 50.8416 -1.29933 TIMING: 4185200 CPU: 13073.2, 0.00310929/step Wall: 13073.2, 0.00310929/step, 0.703736 hours remaining, 235.234375 MB of memory in use. ENERGY: 4185200 3978.8144 20560.1827 14493.5871 244.9366 -203592.8217 2929.2907 0.0000 0.0000 52083.3205 -109302.6896 299.3236 -161386.0102 -108953.6563 299.1807 141.3716 170.8539 762707.0826 -8.2998 -8.1176 PRESSURE: 4185400 -300.059 -3.91907 32.0361 -3.91919 248.366 33.8729 32.0353 33.871 -307.193 GPRESSURE: 4185400 -324.753 -74.4978 62.1941 -141.172 285.261 62.1779 88.5107 125.686 -251.647 PRESSAVG: 4185400 -40.9095 -8.91764 -12.3956 -8.91762 74.2022 8.24395 -12.3957 8.24402 1.49096 GPRESSAVG: 4185400 -40.9844 -11.4696 -11.569 -11.2679 74.3189 7.92033 -10.3995 12.0436 1.6599 TIMING: 4185400 CPU: 13073.9, 0.00312672/step Wall: 13073.9, 0.00312672/step, 0.707508 hours remaining, 235.234375 MB of memory in use. ENERGY: 4185400 4006.1681 20562.1225 14505.9445 242.2093 -203416.1445 2809.7048 0.0000 0.0000 51926.1070 -109363.8885 298.4201 -161289.9955 -109008.0660 298.4923 -119.6285 -97.0459 762461.1637 11.5945 11.6648 PRESSURE: 4185600 -72.334 -151.46 -109.758 -151.46 -73.059 -39.5278 -109.758 -39.5274 -227.502 GPRESSURE: 4185600 -28.4421 -69.8318 -94.3154 1.19794 -10.6603 -79.7752 -176.018 47.6171 -260.418 PRESSAVG: 4185600 -33.8698 -14.2828 -49.5156 -14.2828 1.81509 41.9791 -49.5156 41.9791 11.9912 GPRESSAVG: 4185600 -34.4651 -12.8439 -50.3204 -12.1692 1.83573 41.2357 -52.1275 39.5911 13.2668 TIMING: 4185600 CPU: 13074.5, 0.00311603/step Wall: 13074.5, 0.00311603/step, 0.704914 hours remaining, 235.234375 MB of memory in use. ENERGY: 4185600 3998.5134 20481.6184 14545.7391 242.9784 -203246.6842 2628.5665 0.0000 0.0000 51886.2441 -109463.0243 298.1910 -161349.2684 -109103.3754 298.4575 -124.2983 -99.8403 762761.3764 -6.6879 -6.4542 PRESSURE: 4185800 203.318 -9.33834 52.7311 -9.33825 133.392 5.00142 52.7303 5.00088 30.0423 GPRESSURE: 4185800 277.914 -53.4211 55.1369 6.99907 157.487 132.39 165.059 -67.7087 22.7442 PRESSAVG: 4185800 -79.2335 2.8748 -5.16913 2.87487 79.7127 -9.52704 -5.16918 -9.52704 -10.4374 GPRESSAVG: 4185800 -77.7146 2.38785 -6.63393 4.21549 78.1329 -8.56633 0.537175 -11.1397 -10.5845 TIMING: 4185800 CPU: 13075.1, 0.00310168/step Wall: 13075.1, 0.00310167/step, 0.701495 hours remaining, 235.234375 MB of memory in use. ENERGY: 4185800 3884.0026 20547.9566 14476.2676 240.5246 -203383.0010 2885.7256 0.0000 0.0000 51848.9787 -109499.5453 297.9768 -161348.5240 -109143.9381 298.5404 122.2507 152.7151 762367.0316 -3.3194 -3.3887 PRESSURE: 4186000 67.6124 18.4034 -55.9586 18.403 209.175 -4.13963 -55.9593 -4.1398 578.705 GPRESSURE: 4186000 82.3065 68.4963 -28.6866 -29.1402 225.712 -57.5127 54.0291 50.0993 614.745 PRESSAVG: 4186000 -41.4669 29.4849 1.6282 29.4849 39.7805 27.3735 1.62822 27.3736 -9.68591 GPRESSAVG: 4186000 -41.8031 29.0811 3.6061 26.7215 39.8143 26.0901 -2.03631 28.9095 -9.33915 TIMING: 4186000 CPU: 13075.7, 0.00313828/step Wall: 13075.7, 0.00313828/step, 0.709599 hours remaining, 235.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4186000 3937.7560 20436.8622 14453.4444 254.1033 -203449.5527 3020.1127 0.0000 0.0000 52030.5307 -109316.7435 299.0202 -161347.2741 -108958.3278 298.8737 285.1641 307.5879 763226.0205 -3.7908 -3.7760 PRESSURE: 4186200 87.3425 187.814 -90.5979 187.814 -28.9157 -260.832 -90.5967 -260.831 -132.451 GPRESSURE: 4186200 130.643 188.507 -53.3107 9.56898 -15.9866 -143.882 -67.0106 -213.018 -112.377 PRESSAVG: 4186200 -16.2262 12.3205 39.1957 12.3205 19.1128 32.3238 39.1957 32.3238 6.34836 GPRESSAVG: 4186200 -15.5056 13.1281 38.58 9.75019 19.5881 34.3127 39.3351 30.0339 5.00189 TIMING: 4186200 CPU: 13076.4, 0.0031054/step Wall: 13076.4, 0.0031054/step, 0.701993 hours remaining, 235.234375 MB of memory in use. ENERGY: 4186200 4031.4479 20411.8982 14545.4731 273.1345 -203196.0978 2782.9993 0.0000 0.0000 51963.7035 -109187.4413 298.6361 -161151.1447 -108833.5565 298.5263 -24.6746 0.7599 764624.2258 3.0783 3.0281 PRESSURE: 4186400 85.2446 134.991 -143.343 134.991 56.3588 -61.1883 -143.342 -61.1879 -107.55 GPRESSURE: 4186400 174.258 177.589 -193.84 106.922 95.1341 -120.342 -139.788 -168.238 -145.838 PRESSAVG: 4186400 -4.23094 -22.3428 -26.5013 -22.3428 18.905 18.1396 -26.5013 18.1395 -5.52145 GPRESSAVG: 4186400 -5.43937 -21.3753 -26.9456 -20.8115 20.934 15.5445 -27.3853 21.6015 -6.14137 TIMING: 4186400 CPU: 13077, 0.00309064/step Wall: 13077, 0.00309064/step, 0.698486 hours remaining, 235.234375 MB of memory in use. ENERGY: 4186400 3980.0907 20421.4169 14459.8935 240.7524 -203003.5469 2687.1330 0.0000 0.0000 51897.8543 -109316.4061 298.2577 -161214.2604 -108951.5361 299.1283 11.3510 41.1846 763282.9547 3.0509 3.1178 PRESSURE: 4186600 -197.21 -110.605 -106.236 -110.606 -57.1279 -311.211 -106.236 -311.211 368.066 GPRESSURE: 4186600 -125.142 -132.998 -121.61 -66.809 9.91734 -341.21 -235.693 -309.946 313.706 PRESSAVG: 4186600 7.59002 -29.5944 2.41989 -29.5944 15.3756 -46.2984 2.41996 -46.2985 -30.7315 GPRESSAVG: 4186600 8.2016 -31.6808 3.23648 -29.169 13.4137 -43.7965 1.17182 -47.7693 -29.4595 TIMING: 4186600 CPU: 13077.6, 0.00310059/step Wall: 13077.6, 0.00310059/step, 0.700561 hours remaining, 235.234375 MB of memory in use. ENERGY: 4186600 3933.0816 20338.3625 14502.3962 225.2280 -203585.8885 2933.5237 0.0000 0.0000 52156.6505 -109496.6460 299.7450 -161653.2965 -109131.7119 298.9545 37.9093 66.1605 763911.1873 -2.5886 -2.6147 PRESSURE: 4186800 61.4456 -154.621 -10.0115 -154.622 403.199 -82.3559 -10.0122 -82.3555 253.194 GPRESSURE: 4186800 99.699 -66.9414 -173.603 3.67326 447.076 -79.2577 65.9211 -47.5433 262.399 PRESSAVG: 4186800 -10.4716 -62.4856 -47.6252 -62.4856 -3.0675 -33.8967 -47.6252 -33.8967 7.15566 GPRESSAVG: 4186800 -9.54243 -62.0125 -46.8459 -60.7924 -4.15563 -33.7114 -46.3901 -33.4326 7.75761 TIMING: 4186800 CPU: 13078.2, 0.00310575/step Wall: 13078.2, 0.00310575/step, 0.701554 hours remaining, 235.234375 MB of memory in use. ENERGY: 4186800 3941.4358 20486.7690 14522.3117 229.9758 -203126.6188 2688.9045 0.0000 0.0000 51921.7491 -109335.4730 298.3950 -161257.2221 -108985.0878 298.9129 239.2796 269.7244 761709.7875 -2.1278 -1.9801 PRESSURE: 4187000 216.105 -209.897 -41.9219 -209.897 399.905 22.793 -41.9218 22.7938 -31.1601 GPRESSURE: 4187000 255.082 -218.654 -99.7069 -122.546 348.08 46.3363 -139.477 148.938 62.8128 PRESSAVG: 4187000 -15.4549 -44.056 -42.2687 -44.056 42.3106 -24.5865 -42.2687 -24.5865 -18.1542 GPRESSAVG: 4187000 -15.8963 -44.5888 -44.2786 -43.7823 44.5263 -25.3556 -42.4259 -23.7606 -19.6153 TIMING: 4187000 CPU: 13078.8, 0.00309914/step Wall: 13078.8, 0.00309914/step, 0.699888 hours remaining, 235.234375 MB of memory in use. ENERGY: 4187000 4041.3462 20369.2701 14411.3520 238.8901 -203341.7152 2767.8812 0.0000 0.0000 52013.3978 -109499.5779 298.9217 -161512.9756 -109141.9018 298.5497 194.9500 221.9915 761698.9751 2.9005 3.0049 PRESSURE: 4187200 -179.307 66.7087 136.161 66.7086 109.069 64.9189 136.162 64.9192 167.827 GPRESSURE: 4187200 -145.816 40.7102 111.443 122.756 180.933 92.6346 293.157 31.5123 158.551 PRESSAVG: 4187200 -115.383 -36.719 -6.85387 -36.7191 93.5868 5.24516 -6.85392 5.24522 -0.227936 GPRESSAVG: 4187200 -114.194 -37.1582 -5.58877 -35.6484 92.8144 4.95888 -4.63469 4.77613 -0.292599 TIMING: 4187200 CPU: 13079.4, 0.00308995/step Wall: 13079.4, 0.00308995/step, 0.697642 hours remaining, 235.234375 MB of memory in use. ENERGY: 4187200 4014.9452 20302.6903 14399.0607 250.9587 -203119.1201 2448.4373 0.0000 0.0000 52109.4616 -109593.5663 299.4738 -161703.0279 -109225.5004 298.3784 32.5299 64.5560 763251.2071 -7.3414 -7.2242 PRESSURE: 4187400 -196.039 51.5911 30.7669 51.5903 292.704 -385.575 30.7665 -385.575 133.021 GPRESSURE: 4187400 -180.061 2.634 5.11572 41.1972 321.99 -327.141 -222.51 -409.313 198.953 PRESSAVG: 4187400 -51.4904 -2.51528 13.742 -2.51526 57.859 -42.3857 13.7421 -42.3857 1.73969 GPRESSAVG: 4187400 -51.625 -4.20512 14.359 -3.56896 58.13 -43.2622 11.1713 -42.8548 1.1052 TIMING: 4187400 CPU: 13080.1, 0.00309999/step Wall: 13080.1, 0.00309998/step, 0.699735 hours remaining, 235.234375 MB of memory in use. ENERGY: 4187400 3945.6903 20431.2270 14461.0852 223.3514 -203241.9008 2760.5495 0.0000 0.0000 52035.3883 -109384.6090 299.0481 -161419.9973 -109029.4259 298.6569 76.5619 113.6275 763183.3342 2.7028 2.5367 PRESSURE: 4187600 -368.621 -368.952 188.086 -368.953 -253.602 -24.7635 188.086 -24.7647 -273.198 GPRESSURE: 4187600 -261.692 -392.847 183.361 -345.795 -244.315 -45.7061 227.268 -84.9772 -298.288 PRESSAVG: 4187600 -59.1079 -47.1462 10.0384 -47.1462 100.55 -22.1003 10.0384 -22.1003 -17.9105 GPRESSAVG: 4187600 -59.9164 -46.9045 8.67204 -48.284 99.9398 -20.1092 11.6422 -21.4603 -16.6597 TIMING: 4187600 CPU: 13080.7, 0.00311195/step Wall: 13080.7, 0.00311195/step, 0.702263 hours remaining, 235.234375 MB of memory in use. ENERGY: 4187600 3963.2433 20432.1365 14469.3652 228.7407 -203098.5688 2654.5339 0.0000 0.0000 52100.4755 -109250.0737 299.4221 -161350.5492 -108881.7695 299.0540 -298.4736 -268.0982 763694.8429 7.8438 7.7879 PRESSURE: 4187800 -6.24606 -66.3259 21.8662 -66.3255 105.528 63.8597 21.8663 63.8591 -200.405 GPRESSURE: 4187800 33.3545 -62.9321 -14.0479 -12.7655 140.841 86.1922 28.9839 -30.3648 -187.639 PRESSAVG: 4187800 -124.272 -63.3725 -18.2874 -63.3725 81.9648 -21.4204 -18.2874 -21.4204 12.4759 GPRESSAVG: 4187800 -125.573 -60.9802 -17.8735 -62.2557 83.2296 -23.1768 -18.6046 -22.1687 12.3821 TIMING: 4187800 CPU: 13081.3, 0.0031124/step Wall: 13081.3, 0.0031124/step, 0.702192 hours remaining, 235.234375 MB of memory in use. ENERGY: 4187800 4000.1953 20409.0254 14447.2120 241.2781 -203195.6635 2680.6205 0.0000 0.0000 52014.5913 -109402.7408 298.9286 -161417.3320 -109053.8833 299.1419 -33.7078 -4.4812 763428.0763 -9.9437 -9.9869 PRESSURE: 4188000 -16.7413 -13.6712 -181.996 -13.6708 91.2225 13.9001 -181.996 13.9008 96.8767 GPRESSURE: 4188000 124.195 -43.6311 -275.092 -41.6445 72.3183 -30.7942 -202.384 126.217 84.0229 PRESSAVG: 4188000 -25.8359 -21.6396 3.84364 -21.6396 37.5959 31.4075 3.84374 31.4076 1.69852 GPRESSAVG: 4188000 -23.2558 -25.2673 3.35698 -21.7349 36.1772 31.5911 1.25907 34.1008 0.417763 TIMING: 4188000 CPU: 13081.9, 0.0030982/step Wall: 13081.9, 0.0030982/step, 0.698816 hours remaining, 235.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4188000 3962.8948 20418.0612 14386.2661 228.7421 -203216.5351 2715.3373 0.0000 0.0000 52255.1580 -109250.0756 300.3111 -161505.2336 -108883.7626 299.2114 57.1193 93.5122 763017.8279 4.4862 4.4464 PRESSURE: 4188200 -408.236 112.591 -191.418 112.591 100.631 68.8516 -191.418 68.8506 431.993 GPRESSURE: 4188200 -279.988 112.928 -91.127 5.61757 113.05 31.9135 -38.0873 24.4202 379.118 PRESSAVG: 4188200 -68.5008 -5.32155 12.3123 -5.32155 47.3352 28.3469 12.3124 28.3468 -0.533291 GPRESSAVG: 4188200 -69.9607 -2.68669 12.5769 -6.65577 48.4686 28.7027 15.9409 24.3164 -0.388621 TIMING: 4188200 CPU: 13082.6, 0.00310381/step Wall: 13082.6, 0.00310381/step, 0.699909 hours remaining, 235.234375 MB of memory in use. ENERGY: 4188200 3969.3521 20647.3879 14459.6066 234.0913 -203226.8779 2829.0662 0.0000 0.0000 52190.8909 -108896.4829 299.9418 -161087.3738 -108528.5413 299.4725 41.4629 70.7269 763574.0115 -7.2329 -7.2936 LDB: ============= START OF LOAD BALANCING ============== 13095 LDB: ============== END OF LOAD BALANCING =============== 13095 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13095 LDB: ============= START OF LOAD BALANCING ============== 13095.3 LDB: Largest compute 7037 load 0.029792 is 15.3% of average load 0.195252 LDB: Average compute 0.004387 is 2.2% of average load 0.195252 LDB: TIME 13095.3 LOAD: AVG 0.195252 MAX 0.218942 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.805 MB LDB: TIME 13095.3 LOAD: AVG 0.195252 MAX 0.218942 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.805 MB LDB: TIME 13095.3 LOAD: AVG 0.195252 MAX 0.215991 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.805 MB LDB: ============== END OF LOAD BALANCING =============== 13095.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13095.4 PRESSURE: 4188400 -130.819 -50.7061 -175.633 -50.706 -219.654 4.09848 -175.633 4.09781 219.554 GPRESSURE: 4188400 -129.547 -29.6043 -243.376 -28.5231 -130.832 -8.38687 -221.843 -90.0745 203.832 PRESSAVG: 4188400 -56.5677 13.2672 -6.32884 13.2673 57.4107 -32.8028 -6.32888 -32.8028 17.7469 GPRESSAVG: 4188400 -56.1607 12.5874 -5.61182 15.1081 56.2189 -33.7335 -8.06546 -31.4349 18.6086 TIMING: 4188400 CPU: 13083.2, 0.0031759/step Wall: 13083.2, 0.0031759/step, 0.715989 hours remaining, 234.570312 MB of memory in use. ENERGY: 4188400 3955.4883 20574.0263 14486.9178 247.6216 -203010.5288 2693.1054 0.0000 0.0000 52080.4381 -108972.9313 299.3070 -161053.3694 -108610.8511 300.3202 -43.6395 -18.8488 762852.1102 6.1967 6.2222 PRESSURE: 4188600 -139.006 -183.394 -206.843 -183.395 167.848 56.6426 -206.843 56.6436 104.89 GPRESSURE: 4188600 -88.4088 -85.8464 -217.519 -164.034 228.507 127.13 -203.799 59.0712 74.8146 PRESSAVG: 4188600 15.5136 -25.7723 -30.7899 -25.7722 37.3589 -41.0962 -30.7899 -41.0962 -13.2954 GPRESSAVG: 4188600 16.1751 -26.8241 -32.2325 -26.8479 37.3183 -40.7671 -30.4462 -41.6924 -13.7773 TIMING: 4188600 CPU: 13083.8, 0.00311444/step Wall: 13083.8, 0.00311444/step, 0.701961 hours remaining, 234.769531 MB of memory in use. ENERGY: 4188600 3969.6768 20624.6404 14462.0011 237.7820 -203032.1455 2650.9757 0.0000 0.0000 52328.9497 -108758.1197 300.7352 -161087.0694 -108390.9191 299.9127 44.5771 71.6376 762332.7410 13.1924 13.2387 PRESSURE: 4188800 -313.394 -264.122 -9.1076 -264.121 -325.127 -66.5006 -9.10699 -66.5012 -385.092 GPRESSURE: 4188800 -248.998 -170.807 15.8003 -80.9321 -274.584 -61.9852 -60.5883 -111.008 -388.634 PRESSAVG: 4188800 -60.1923 -54.4048 36.2727 -54.4048 53.436 -10.1608 36.2728 -10.1608 12.7352 GPRESSAVG: 4188800 -60.9888 -53.5072 37.3541 -53.9906 53.2924 -8.89437 36.127 -10.2546 13.0655 TIMING: 4188800 CPU: 13084.4, 0.00313839/step Wall: 13084.4, 0.00313839/step, 0.707184 hours remaining, 234.968750 MB of memory in use. ENERGY: 4188800 4023.4048 20468.4441 14573.7152 254.7496 -202895.6828 2599.0397 0.0000 0.0000 52160.9191 -108815.4102 299.7695 -160976.3293 -108448.2757 300.1084 -341.2041 -304.0722 764919.6902 1.9930 1.7897 PRESSURE: 4189000 76.6118 138.247 29.9271 138.248 -150.751 -161.023 29.927 -161.022 184.256 GPRESSURE: 4189000 104.307 101.559 57.1198 33.7863 -29.7547 -159.259 -5.86017 -113.97 139.393 PRESSAVG: 4189000 -42.2048 -16.2404 1.20372 -16.2404 75.5914 0.160416 1.20374 0.160462 5.27091 GPRESSAVG: 4189000 -42.4737 -15.9739 1.01418 -17.5421 76.5078 -0.0791318 3.25569 -0.834848 4.80394 TIMING: 4189000 CPU: 13085.1, 0.00311247/step Wall: 13085.1, 0.00311247/step, 0.701171 hours remaining, 234.968750 MB of memory in use. ENERGY: 4189000 3990.7008 20484.4800 14489.2280 235.7193 -203013.5312 2583.6874 0.0000 0.0000 52256.0688 -108973.6470 300.3163 -161229.7158 -108617.6730 300.0946 36.7056 71.3153 763553.4529 12.8858 12.9460 PRESSURE: 4189200 -133.935 -16.3772 96.1916 -16.3777 -266.425 81.5853 96.1917 81.5857 -122.219 GPRESSURE: 4189200 -101.153 -83.403 102.26 13.6728 -198.327 128.028 60.5741 58.6404 -123.657 PRESSAVG: 4189200 -7.40632 -40.8424 -22.9577 -40.8424 62.9324 4.72804 -22.9577 4.72806 -4.09831 GPRESSAVG: 4189200 -6.7142 -41.485 -22.7625 -40.7114 62.0776 4.51296 -21.9363 5.87279 -3.74674 TIMING: 4189200 CPU: 13085.7, 0.00312025/step Wall: 13085.7, 0.00312025/step, 0.70275 hours remaining, 234.968750 MB of memory in use. ENERGY: 4189200 4010.3095 20622.1193 14505.5668 258.5724 -203146.7120 2768.9546 0.0000 0.0000 52017.3682 -108963.8212 298.9445 -160981.1894 -108605.0482 299.8288 -174.1931 -141.0459 764044.4181 17.1426 17.2055 PRESSURE: 4189400 356.315 -35.9343 132.985 -35.9342 -177.438 196.637 132.986 196.637 -289.17 GPRESSURE: 4189400 354.824 -7.96967 177.187 -10.7917 -104.584 196.293 49.9404 199.241 -274.724 PRESSAVG: 4189400 34.5649 -41.6201 55.2441 -41.6201 28.2335 -0.611764 55.2442 -0.611752 12.5891 GPRESSAVG: 4189400 34.4283 -39.9541 56.8291 -42.3036 29.0733 0.399328 49.79 -0.2464 12.3704 TIMING: 4189400 CPU: 13086.3, 0.00311803/step Wall: 13086.3, 0.00311803/step, 0.702075 hours remaining, 234.968750 MB of memory in use. ENERGY: 4189400 3942.9639 20583.7761 14577.6707 244.3587 -203367.1180 2592.9460 0.0000 0.0000 52221.7747 -109203.6277 300.1193 -161425.4025 -108841.9992 299.2901 -36.7644 -8.1612 761822.9150 25.1292 25.2907 PRESSURE: 4189600 -218.672 262.464 -250.895 262.464 1.67467 -215.551 -250.896 -215.551 38.4654 GPRESSURE: 4189600 -201.976 274.304 -206.161 301.596 80.1662 -142.593 -194.929 -151.619 25.3647 PRESSAVG: 4189600 -46.2797 -42.1269 -25.5086 -42.127 36.2449 -21.8479 -25.5086 -21.8479 -19.6986 GPRESSAVG: 4189600 -47.4835 -42.6895 -27.6577 -41.4721 36.8268 -22.8689 -23.2575 -22.1669 -19.3378 TIMING: 4189600 CPU: 13086.9, 0.00312091/step Wall: 13086.9, 0.00312091/step, 0.702551 hours remaining, 234.968750 MB of memory in use. ENERGY: 4189600 3976.2928 20445.8280 14488.8891 252.3994 -203484.0698 2762.7967 0.0000 0.0000 52499.9176 -109057.9463 301.7177 -161557.8638 -108688.3692 299.2764 -59.5107 -32.1485 763146.0643 -9.9111 -9.9982 PRESSURE: 4189800 39.6876 35.3306 239.054 35.3296 258.254 177.797 239.054 177.796 -21.2217 GPRESSURE: 4189800 9.41041 105.249 233.333 -9.20777 373.434 234.786 188.472 8.62574 -30.2221 PRESSAVG: 4189800 -105.188 11.3305 24.426 11.3304 94.9369 -11.3475 24.426 -11.3476 -7.06651 GPRESSAVG: 4189800 -103.943 10.9953 24.0447 12.7529 94.9589 -12.6452 26.0497 -12.0493 -7.71794 TIMING: 4189800 CPU: 13087.6, 0.00314846/step Wall: 13087.6, 0.00314846/step, 0.708578 hours remaining, 234.968750 MB of memory in use. ENERGY: 4189800 4024.0043 20497.6428 14450.3186 245.3203 -203088.0918 2830.7167 0.0000 0.0000 51900.9299 -109139.1591 298.2754 -161040.0890 -108781.9331 299.5791 92.2401 117.5409 762431.3798 -5.7727 -5.5673 PRESSURE: 4190000 430.775 20.002 127.395 20.0019 -63.9793 -243.517 127.396 -243.516 -55.4151 GPRESSURE: 4190000 368.177 -21.9329 63.242 -61.4457 72.9196 -244.883 68.3279 -213.706 -33.7379 PRESSAVG: 4190000 -14.385 -9.34349 26.9929 -9.34351 -1.86875 18.1267 26.993 18.1267 9.14016 GPRESSAVG: 4190000 -15.1319 -10.2345 27.9965 -8.40167 -2.36204 20.1156 26.0272 18.9918 10.8909 TIMING: 4190000 CPU: 13088.2, 0.00313863/step Wall: 13088.2, 0.00313863/step, 0.706191 hours remaining, 234.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4190000 3956.4005 20425.4068 14425.7756 263.2347 -203228.1466 2748.5428 0.0000 0.0000 52043.4175 -109365.3687 299.0942 -161408.7862 -109001.0800 299.0821 103.7935 135.7863 760894.4256 -2.3712 -2.2010 PRESSURE: 4190200 76.5398 -56.8943 -149.562 -56.8945 330.445 -67.3409 -149.563 -67.3415 81.5963 GPRESSURE: 4190200 81.4682 -135.15 41.7833 -45.9871 411.542 -61.2068 -163.453 -46.0712 82.7496 PRESSAVG: 4190200 -19.7379 -60.5661 -17.2236 -60.5661 18.1252 -5.96166 -17.2235 -5.96165 28.4676 GPRESSAVG: 4190200 -18.6711 -59.7166 -16.6027 -60.6589 17.092 -6.48334 -17.7294 -7.33612 28.388 TIMING: 4190200 CPU: 13088.8, 0.00314451/step Wall: 13088.8, 0.00314451/step, 0.70734 hours remaining, 234.957031 MB of memory in use. ENERGY: 4190200 3968.2411 20557.4679 14487.6500 239.2171 -203442.0422 2858.4548 0.0000 0.0000 51968.7753 -109362.2359 298.6653 -161331.0112 -109000.1080 298.9748 162.8604 191.9201 762460.7003 8.9517 8.9363 PRESSURE: 4190400 150.935 0.125169 -288.05 0.124932 433.791 112.778 -288.05 112.778 158.693 GPRESSURE: 4190400 210.291 1.99169 -251.878 93.0228 456.185 81.1092 -231.994 110.393 160.423 PRESSAVG: 4190400 17.5694 -81.0133 3.68153 -81.0133 -14.241 -31.6273 3.68154 -31.6273 -19.5001 GPRESSAVG: 4190400 17.7274 -79.806 1.5683 -84.3428 -13.4839 -32.217 4.11042 -31.4795 -20.4225 TIMING: 4190400 CPU: 13089.4, 0.00313368/step Wall: 13089.4, 0.00313368/step, 0.704731 hours remaining, 234.968750 MB of memory in use. ENERGY: 4190400 4015.6785 20407.9728 14489.1176 256.9971 -203353.5333 2734.1519 0.0000 0.0000 52249.3818 -109200.2335 300.2779 -161449.6153 -108835.7444 299.1369 247.8064 275.6330 761456.6227 -5.3906 -5.3930 PRESSURE: 4190600 -442.204 38.7448 -26.4664 38.7447 -106.159 -74.0969 -26.4673 -74.0963 -45.8237 GPRESSURE: 4190600 -337.194 41.755 -12.8172 10.579 -115.769 -31.3769 65.7333 -123.722 -68.9592 PRESSAVG: 4190600 -55.3392 20.1865 -6.88123 20.1865 27.0326 -31.3381 -6.88131 -31.338 0.34265 GPRESSAVG: 4190600 -55.4964 19.6245 -4.56775 23.2981 26.6236 -31.0213 -8.30094 -31.2778 0.412964 TIMING: 4190600 CPU: 13090.1, 0.00311975/step Wall: 13090.1, 0.00311975/step, 0.701424 hours remaining, 234.968750 MB of memory in use. ENERGY: 4190600 3991.5443 20494.5275 14492.7783 250.1633 -203140.8036 2603.5801 0.0000 0.0000 52068.4809 -109239.7291 299.2383 -161308.2100 -108886.7662 299.2558 -198.0620 -173.9741 762837.7946 -9.3213 -9.4866 PRESSURE: 4190800 57.8656 -76.486 244.348 -76.4857 412.592 160.48 244.348 160.48 120.411 GPRESSURE: 4190800 106.533 -75.4938 274.728 -11.4176 402.319 234.869 49.1626 123.99 168.75 PRESSAVG: 4190800 12.8897 8.97982 64.1217 8.97975 10.0792 -7.4755 64.1217 -7.47545 -1.27162 GPRESSAVG: 4190800 13.6854 8.59261 64.1284 7.34741 10.9301 -6.42279 65.4283 -8.44056 -2.06772 TIMING: 4190800 CPU: 13090.7, 0.00312821/step Wall: 13090.7, 0.00312821/step, 0.703152 hours remaining, 234.968750 MB of memory in use. ENERGY: 4190800 3927.5253 20361.0169 14528.1162 243.5834 -203621.9193 2932.1697 0.0000 0.0000 52072.7837 -109556.7242 299.2630 -161629.5079 -109194.4486 298.8535 196.9562 225.8676 761122.3252 7.2324 7.5159 PRESSURE: 4191000 -257.635 8.34896 -213.463 8.34994 55.0124 -318.932 -213.462 -318.932 -486.566 GPRESSURE: 4191000 -151.775 152.619 -213.31 84.9936 11.0379 -269.095 -86.7074 -168.669 -478.201 PRESSAVG: 4191000 22.327 -27.5289 -23.4734 -27.529 7.52545 -9.78788 -23.4734 -9.78788 -15.8856 GPRESSAVG: 4191000 21.8793 -26.804 -24.2737 -27.3627 6.15038 -9.79178 -24.4396 -6.46809 -14.4898 TIMING: 4191000 CPU: 13091.3, 0.00314113/step Wall: 13091.3, 0.00314113/step, 0.705882 hours remaining, 234.968750 MB of memory in use. ENERGY: 4191000 3920.7047 20573.9208 14510.9934 245.7526 -203299.2103 2478.5041 0.0000 0.0000 52045.6139 -109523.7209 299.1069 -161569.3348 -109161.1895 298.6807 -229.7295 -206.3125 761297.9489 4.6556 4.5133 PRESSURE: 4191200 -285.005 93.0512 -67.8261 93.0497 -36.0475 9.53113 -67.8253 9.53092 255.167 GPRESSURE: 4191200 -174.292 19.783 -61.9824 87.5137 -45.4919 56.0839 -50.3176 27.5974 224.524 PRESSAVG: 4191200 12.9353 -21.2303 -57.0968 -21.2303 -16.6746 -40.9823 -57.0968 -40.9824 21.3809 GPRESSAVG: 4191200 12.1951 -21.0457 -56.731 -22.8542 -15.6513 -40.6636 -57.6142 -43.6052 20.8822 TIMING: 4191200 CPU: 13092, 0.0031415/step Wall: 13092, 0.0031415/step, 0.705791 hours remaining, 234.968750 MB of memory in use. ENERGY: 4191200 3950.7903 20531.4162 14528.1639 239.9743 -203179.0413 2636.1279 0.0000 0.0000 51827.8790 -109464.6897 297.8555 -161292.5687 -109103.7509 299.0041 -21.9618 1.5801 761392.6806 5.8805 5.8087 PRESSURE: 4191400 369.997 -196.817 -141.059 -196.817 -24.6406 238.598 -141.058 238.599 301.606 GPRESSURE: 4191400 372.707 -168.807 -87.4848 -124.015 -7.91706 227.926 -140.081 156.741 364.47 PRESSAVG: 4191400 83.1836 -52.4796 -39.7439 -52.4796 -48.7773 36.1308 -39.7439 36.1308 -7.44134 GPRESSAVG: 4191400 83.57 -55.2055 -40.4096 -48.818 -49.2034 34.2223 -37.6488 34.5969 -7.33576 TIMING: 4191400 CPU: 13092.6, 0.00315211/step Wall: 13092.6, 0.00315211/step, 0.707999 hours remaining, 234.968750 MB of memory in use. ENERGY: 4191400 3964.0638 20365.5755 14533.2564 246.8561 -203456.5599 2861.7230 0.0000 0.0000 51951.5763 -109533.5087 298.5664 -161485.0850 -109172.8975 298.4998 215.6541 243.0867 761740.3314 8.9883 9.0103 PRESSURE: 4191600 -144.916 -107.857 -333.78 -107.857 -212.895 -32.8718 -333.78 -32.8725 93.1578 GPRESSURE: 4191600 -90.1222 -5.77694 -286.426 -64.7519 -147.594 43.774 -298.124 -148.298 57.6283 PRESSAVG: 4191600 -0.659614 -27.1995 15.5901 -27.1994 6.61118 -15.8472 15.5901 -15.8472 -19.7816 GPRESSAVG: 4191600 -0.846122 -26.5204 15.0504 -27.8003 7.62124 -16.2305 15.5303 -14.237 -20.4601 TIMING: 4191600 CPU: 13093.2, 0.0031495/step Wall: 13093.2, 0.0031495/step, 0.707238 hours remaining, 234.968750 MB of memory in use. ENERGY: 4191600 3939.1027 20466.1695 14515.9929 247.4302 -203260.8608 2798.0567 0.0000 0.0000 51680.4557 -109613.6531 297.0083 -161294.1089 -109262.0395 298.5659 -88.2179 -60.0292 761607.8503 -4.6100 -4.5617 PRESSURE: 4191800 -79.8577 -25.6757 94.5573 -25.6755 -65.6988 138.277 94.5578 138.278 160.514 GPRESSURE: 4191800 18.0223 -56.4779 68.5639 -165.428 -31.1134 249.422 -41.6531 198.941 111.244 PRESSAVG: 4191800 -0.719765 -27.0851 -3.18684 -27.0851 35.1861 32.171 -3.18686 32.1709 -7.83554 GPRESSAVG: 4191800 -0.349858 -25.7477 -2.42654 -28.4011 34.2528 32.8822 -2.14464 33.9279 -7.8724 TIMING: 4191800 CPU: 13093.8, 0.00311883/step Wall: 13093.8, 0.00311883/step, 0.700178 hours remaining, 234.968750 MB of memory in use. ENERGY: 4191800 3998.3599 20284.9998 14515.5570 255.7623 -202958.0780 2441.0103 0.0000 0.0000 51968.8450 -109493.5437 298.6657 -161462.3887 -109131.3612 298.2220 4.9858 32.7177 762772.4302 8.8769 8.6768 PRESSURE: 4192000 85.4212 -123.541 73.692 -123.541 138.141 -25.1323 73.6919 -25.1331 -207.818 GPRESSURE: 4192000 144.122 -102.82 44.9679 -4.72727 211.95 -40.5072 76.8357 -2.03393 -236.833 PRESSAVG: 4192000 22.0835 -56.9407 -9.91315 -56.9407 -3.34107 40.6949 -9.91318 40.6949 8.7551 GPRESSAVG: 4192000 21.9918 -54.8187 -10.2034 -58.7549 -4.36218 41.2127 -12.0381 38.7912 9.10411 TIMING: 4192000 CPU: 13094.5, 0.00312664/step Wall: 13094.5, 0.00312664/step, 0.701756 hours remaining, 234.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4192000 3950.9966 20435.0344 14526.2127 253.3337 -203536.7626 2843.3855 0.0000 0.0000 51918.0336 -109609.7662 298.3737 -161527.7998 -109249.2816 298.1882 5.2481 39.7462 762184.8481 9.1658 8.9112 PRESSURE: 4192200 -51.0954 240.696 63.8235 240.697 36.463 -77.8536 63.823 -77.8548 301.99 GPRESSURE: 4192200 -58.9007 247.738 33.8726 157.432 125.809 -172.736 80.4101 28.0844 319.918 PRESSAVG: 4192200 31.945 6.27001 21.9346 6.27004 4.66435 61.3958 21.9346 61.3957 3.49167 GPRESSAVG: 4192200 31.3427 3.88311 22.5114 7.87482 5.83728 59.5937 22.1242 62.0284 3.32121 TIMING: 4192200 CPU: 13095.1, 0.0031145/step Wall: 13095.1, 0.0031145/step, 0.69886 hours remaining, 234.968750 MB of memory in use. ENERGY: 4192200 3937.1401 20360.7602 14538.9275 249.9507 -203661.5231 2878.9693 0.0000 0.0000 52088.7913 -109606.9840 299.3550 -161695.7753 -109234.4791 298.3452 95.7858 128.9423 760355.7991 13.3670 13.5004 LDB: ============= START OF LOAD BALANCING ============== 13107.6 LDB: ============== END OF LOAD BALANCING =============== 13107.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13107.6 LDB: ============= START OF LOAD BALANCING ============== 13107.9 LDB: Largest compute 7060 load 0.030283 is 15.5% of average load 0.195171 LDB: Average compute 0.004399 is 2.3% of average load 0.195171 LDB: TIME 13107.9 LOAD: AVG 0.195171 MAX 0.215449 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.316 MB LDB: TIME 13107.9 LOAD: AVG 0.195171 MAX 0.215449 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.316 MB LDB: TIME 13107.9 LOAD: AVG 0.195171 MAX 0.215449 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.316 MB LDB: ============== END OF LOAD BALANCING =============== 13107.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13107.9 PRESSURE: 4192400 28.4693 -84.2217 98.923 -84.2216 -244.956 -87.2862 98.9233 -87.2861 275.213 GPRESSURE: 4192400 72.6679 -167.886 100.72 -153.151 -236.018 -180.579 42.9539 -79.6413 320.065 PRESSAVG: 4192400 16.9345 -28.4526 4.63493 -28.4526 25.1268 6.16516 4.63492 6.16519 19.4187 GPRESSAVG: 4192400 17.4101 -29.1405 4.64228 -31.1497 23.4946 7.19791 3.49644 7.41392 20.4158 TIMING: 4192400 CPU: 13095.7, 0.00317515/step Wall: 13095.7, 0.00317515/step, 0.712292 hours remaining, 234.058594 MB of memory in use. ENERGY: 4192400 3981.3055 20461.1040 14486.8171 252.1832 -203430.8651 2578.6640 0.0000 0.0000 51989.6242 -109681.1671 298.7851 -161670.7913 -109315.6357 298.4951 19.5754 52.2382 760803.9784 20.4933 20.4402 PRESSURE: 4192600 100.135 -140.97 9.79674 -140.971 353.435 58.5763 9.7972 58.5766 136.869 GPRESSURE: 4192600 127.267 -141.678 13.8612 -131.101 396.21 24.1613 -86.1676 53.6392 158.304 PRESSAVG: 4192600 -33.6609 -25.8117 -8.75438 -25.8117 -0.985661 21.371 -8.75447 21.371 -4.65687 GPRESSAVG: 4192600 -34.169 -26.0204 -8.65119 -21.2658 -0.423245 21.8791 -8.94105 21.0328 -4.78626 TIMING: 4192600 CPU: 13096.3, 0.00310088/step Wall: 13096.3, 0.00310088/step, 0.695459 hours remaining, 234.257812 MB of memory in use. ENERGY: 4192600 3974.8356 20440.9892 14435.3734 223.1034 -203254.3798 2666.0728 0.0000 0.0000 51923.0956 -109590.9098 298.4027 -161514.0054 -109223.5734 298.3570 196.8131 227.2603 763225.3601 -13.1012 -13.1262 PRESSURE: 4192800 138.561 -100.434 -172.251 -100.434 -89.4008 282.087 -172.25 282.088 82.1816 GPRESSURE: 4192800 205.974 -8.90674 -98.2401 -212.33 -55.502 419.207 -114.811 104.758 53.6236 PRESSAVG: 4192800 34.3131 -46.3229 -4.60912 -46.3228 -28.0692 5.37298 -4.60918 5.37291 9.63209 GPRESSAVG: 4192800 34.187 -45.1337 -6.67469 -48.1492 -26.9768 6.06554 -2.2217 1.51049 8.96161 TIMING: 4192800 CPU: 13097, 0.00311996/step Wall: 13097, 0.00311997/step, 0.699566 hours remaining, 234.257812 MB of memory in use. ENERGY: 4192800 4046.8342 20517.5015 14520.8653 253.3488 -203556.8864 2775.9771 0.0000 0.0000 52005.8198 -109436.5397 298.8782 -161442.3595 -109077.5293 298.5472 43.7806 68.0317 761725.8261 5.2920 5.3906 PRESSURE: 4193000 -180.265 218.602 -16.5003 218.602 22.9853 102.338 -16.4999 102.339 -476.915 GPRESSURE: 4193000 -156.612 133.423 50.6478 223.755 50.7748 -24.6744 -102.406 162.881 -429.177 PRESSAVG: 4193000 -65.1302 -4.33199 -56.3416 -4.33206 48.6559 13.9151 -56.3416 13.9151 -15.9342 GPRESSAVG: 4193000 -64.741 -4.20529 -55.3328 -5.53038 47.8256 12.7222 -55.8064 15.7212 -15.9625 TIMING: 4193000 CPU: 13097.6, 0.00310214/step Wall: 13097.6, 0.00310214/step, 0.695397 hours remaining, 234.257812 MB of memory in use. ENERGY: 4193000 3923.4681 20556.8247 14416.5903 231.9957 -203099.8261 2401.4706 0.0000 0.0000 51905.0042 -109664.4725 298.2988 -161569.4767 -109313.2866 298.5363 -211.3982 -178.3380 761398.1950 -10.8028 -10.9593 PRESSURE: 4193200 107.31 25.0522 -124.623 25.0529 -200.075 -146.971 -124.622 -146.971 -9.72826 GPRESSURE: 4193200 130.733 -7.81303 -194.323 89.5127 -90.8347 -140.676 -14.1306 -38.4497 -46.7423 PRESSAVG: 4193200 -64.8798 -10.1529 -4.96965 -10.1528 38.5029 -35.1678 -4.96966 -35.1678 -3.1015 GPRESSAVG: 4193200 -66.0291 -10.541 -4.36439 -10.6496 39.0896 -33.7141 -5.03584 -34.2605 -2.78331 TIMING: 4193200 CPU: 13098.2, 0.00312/step Wall: 13098.2, 0.00312/step, 0.699227 hours remaining, 234.257812 MB of memory in use. ENERGY: 4193200 3901.4409 20230.2883 14448.4535 236.9201 -203312.7736 2700.8317 0.0000 0.0000 51972.9008 -109821.9382 298.6890 -161794.8390 -109451.3701 298.7006 -34.1646 -2.2815 761481.7446 -9.8261 -9.9076 PRESSURE: 4193400 -82.2866 -62.9028 -2.16018 -62.9035 -176.969 -5.16866 -2.16103 -5.17018 -487.959 GPRESSURE: 4193400 -109.451 -28.7636 23.7624 -61.3396 -79.9911 -6.33615 -32.003 -47.5468 -474.031 PRESSAVG: 4193400 -76.64 -54.555 -12.6032 -54.555 82.7944 -20.3722 -12.6031 -20.3722 0.950273 GPRESSAVG: 4193400 -76.3977 -52.4145 -13.2735 -53.1374 81.6379 -20.6987 -14.6909 -20.337 1.49932 TIMING: 4193400 CPU: 13098.8, 0.00312072/step Wall: 13098.8, 0.00312072/step, 0.699214 hours remaining, 234.257812 MB of memory in use. ENERGY: 4193400 3982.8610 20624.2705 14433.6530 244.7853 -202755.2956 2075.3355 0.0000 0.0000 51854.4434 -109539.9470 298.0082 -161394.3904 -109182.2295 298.4997 -249.0718 -221.1577 762317.9482 2.3682 2.2465 PRESSURE: 4193600 -131.828 -90.1139 -35.4189 -90.1135 -138.878 -4.75769 -35.4186 -4.75917 123.413 GPRESSURE: 4193600 -35.3566 -66.8665 73.7899 24.5138 -49.278 -90.0771 -153.987 -61.5846 12.4746 PRESSAVG: 4193600 -2.019 -38.75 -8.12247 -38.75 49.9758 -6.38195 -8.12242 -6.38196 -13.8887 GPRESSAVG: 4193600 -1.79542 -39.437 -6.88414 -39.464 50.3643 -8.92887 -8.05783 -6.64808 -14.0281 TIMING: 4193600 CPU: 13099.5, 0.00310886/step Wall: 13099.5, 0.00310886/step, 0.696384 hours remaining, 234.257812 MB of memory in use. ENERGY: 4193600 3934.3518 20538.3025 14462.6327 229.6195 -203493.0848 2715.8516 0.0000 0.0000 52117.7496 -109494.5771 299.5214 -161612.3267 -109138.7227 298.9200 -49.0975 -24.0533 763616.0969 11.3560 11.5136 PRESSURE: 4193800 -295.158 36.7181 46.1454 36.7177 362.715 16.1492 46.1456 16.1481 -33.0506 GPRESSURE: 4193800 -234.693 52.1307 110.618 36.01 366.861 54.6045 20.0769 32.9416 -21.344 PRESSAVG: 4193800 -56.2289 -57.1072 -15.6711 -57.1072 19.1954 -36.7464 -15.6712 -36.7465 -5.25583 GPRESSAVG: 4193800 -56.562 -58.4526 -15.8521 -57.8794 20.0788 -35.3472 -14.8324 -35.3679 -5.80657 TIMING: 4193800 CPU: 13100.1, 0.00313776/step Wall: 13100.1, 0.00313776/step, 0.702685 hours remaining, 234.257812 MB of memory in use. ENERGY: 4193800 3936.9120 20315.2483 14439.3928 250.3501 -203529.0482 2873.7518 0.0000 0.0000 52190.2697 -109523.1235 299.9382 -161713.3932 -109151.7340 298.5556 11.5024 36.9413 761829.9296 -14.0964 -14.0966 PRESSURE: 4194000 327.153 13.8851 81.4906 13.8845 108.938 272.015 81.4901 272.015 161.498 GPRESSURE: 4194000 353.668 39.9041 27.6281 43.759 105.416 264.569 -41.0837 188.964 218.838 PRESSAVG: 4194000 -45.9478 -74.0179 16.6707 -74.018 59.6075 -48.093 16.6708 -48.0931 -6.65067 GPRESSAVG: 4194000 -45.5471 -73.1733 15.2038 -72.8938 58.938 -48.4099 15.8334 -50.4508 -6.83869 TIMING: 4194000 CPU: 13100.7, 0.00312109/step Wall: 13100.7, 0.00312109/step, 0.698778 hours remaining, 234.257812 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: 4194000 3959.6749 20486.3983 14439.5119 258.9622 -203256.6876 2680.6034 0.0000 0.0000 51867.0833 -109564.4537 298.0808 -161431.5370 -109205.1347 298.8432 199.1962 225.9741 760385.1329 2.3363 2.1841 PRESSURE: 4194200 -532.639 44.7119 75.7208 44.712 -227.476 167.19 75.7206 167.191 -420.811 GPRESSURE: 4194200 -361.456 95.817 39.0476 -33.8552 -210.713 123.7 210.042 249.392 -500.528 PRESSAVG: 4194200 -1.02922 -30.7213 -10.1796 -30.7213 4.54711 -5.98392 -10.1797 -5.98387 4.48852 GPRESSAVG: 4194200 -0.617196 -31.136 -9.74229 -30.865 4.01843 -6.47674 -8.5869 -4.49781 4.38409 TIMING: 4194200 CPU: 13101.3, 0.00314902/step Wall: 13101.3, 0.00314902/step, 0.704855 hours remaining, 234.257812 MB of memory in use. ENERGY: 4194200 3979.9922 20333.2043 14455.2697 254.5129 -202837.8822 2561.9475 0.0000 0.0000 51849.6664 -109403.2892 297.9807 -161252.9556 -109040.1079 299.2529 -393.6417 -357.5658 763204.9710 2.6688 2.5951 PRESSURE: 4194400 220.361 62.3107 161.148 62.3115 338.8 -45.0078 161.148 -45.0076 -213.739 GPRESSURE: 4194400 291.58 116.441 174.471 4.44812 313.855 -65.3439 160.959 -79.6728 -181.7 PRESSAVG: 4194400 22.5482 -25.1645 16.6358 -25.1645 -12.2617 -34.3896 16.6357 -34.3895 22.2253 GPRESSAVG: 4194400 22.678 -23.5058 17.0872 -27.1948 -10.2903 -34.2895 16.0102 -32.3983 20.5569 TIMING: 4194400 CPU: 13102, 0.00316405/step Wall: 13102, 0.00316405/step, 0.708045 hours remaining, 234.257812 MB of memory in use. ENERGY: 4194400 3993.5423 20664.5069 14396.9610 247.5715 -203258.9028 2825.8398 0.0000 0.0000 51910.7629 -109219.7185 298.3319 -161130.4814 -108872.2581 299.0478 115.1407 141.2450 762211.9251 10.8373 10.9815 PRESSURE: 4194600 -136.746 -107.969 168.554 -107.969 51.41 -162.629 168.553 -162.628 84.9937 GPRESSURE: 4194600 -66.6598 -97.9519 134.919 -123.567 11.7968 -191.983 72.7343 -62.0052 153.715 PRESSAVG: 4194600 12.8346 -8.80488 -11.4038 -8.80487 25.7423 -9.87519 -11.4038 -9.87513 18.497 GPRESSAVG: 4194600 11.2946 -10.9777 -12.5366 -6.946 25.1569 -9.99969 -11.2343 -9.50316 19.9382 TIMING: 4194600 CPU: 13102.6, 0.00315499/step Wall: 13102.6, 0.00315499/step, 0.705842 hours remaining, 234.257812 MB of memory in use. ENERGY: 4194600 3819.3679 20347.4611 14483.4088 253.3716 -202769.7117 2582.9173 0.0000 0.0000 52022.4698 -109260.7152 298.9738 -161283.1850 -108888.4380 298.8332 -0.1140 32.9506 761897.9824 19.0246 18.7965 PRESSURE: 4194800 -112.291 -54.9669 -49.3364 -54.9668 -95.9906 -6.30163 -49.3355 -6.30201 -521.415 GPRESSURE: 4194800 14.2111 30.8038 -34.9167 9.33921 -141.097 45.0925 17.3121 -121.942 -511.829 PRESSAVG: 4194800 -57.0597 21.8081 61.6781 21.808 77.9285 37.0651 61.678 37.0652 -7.29795 GPRESSAVG: 4194800 -56.0057 23.2443 63.0574 22.2942 76.6245 38.2918 60.4891 33.5958 -7.42168 TIMING: 4194800 CPU: 13103.2, 0.00315356/step Wall: 13103.2, 0.00315356/step, 0.705346 hours remaining, 234.257812 MB of memory in use. ENERGY: 4194800 3985.4299 20543.8593 14436.2336 233.4531 -202486.6695 2215.6951 0.0000 0.0000 51698.7751 -109373.2233 297.1136 -161071.9984 -109024.0586 298.8679 -243.2323 -212.9048 763335.2598 4.5236 4.3990 PRESSURE: 4195000 52.2078 -59.1456 -9.76008 -59.1461 143.415 119.382 -9.75965 119.383 252.126 GPRESSURE: 4195000 40.3225 -82.053 22.3414 2.09048 201.649 116.842 -149.994 216.225 305.705 PRESSAVG: 4195000 -27.3621 -24.8528 14.9513 -24.8528 18.5045 -12.594 14.9513 -12.594 24.406 GPRESSAVG: 4195000 -27.6818 -24.4488 14.9142 -26.2362 20.3947 -14.3184 17.2138 -10.8475 23.1199 TIMING: 4195000 CPU: 13103.9, 0.00315442/step Wall: 13103.9, 0.00315442/step, 0.705364 hours remaining, 234.257812 MB of memory in use. ENERGY: 4195000 3945.8256 20380.7952 14444.5641 263.6571 -203134.4362 2679.4031 0.0000 0.0000 52161.3816 -109258.8094 299.7722 -161420.1911 -108894.1371 298.8057 149.2494 182.5586 762608.5145 5.1828 5.2776 PRESSURE: 4195200 -16.2137 -169.488 -85.8378 -169.489 7.27058 -39.8505 -85.8374 -39.8501 -57.5801 GPRESSURE: 4195200 -10.9545 -100.39 -92.4273 -256.359 32.2028 4.75939 -134.606 80.2743 -13.8786 PRESSAVG: 4195200 -12.782 -28.6323 -16.7136 -28.6323 55.6436 -68.4348 -16.7136 -68.4347 14.1452 GPRESSAVG: 4195200 -12.5349 -30.3379 -16.0809 -26.4268 54.0902 -67.2717 -19.6296 -68.3024 15.4883 TIMING: 4195200 CPU: 13104.5, 0.00314886/step Wall: 13104.5, 0.00314886/step, 0.703945 hours remaining, 234.257812 MB of memory in use. ENERGY: 4195200 4107.5689 20514.0981 14464.1864 245.2389 -203180.7441 2746.8028 0.0000 0.0000 52114.6312 -108988.2179 299.5035 -161102.8491 -108624.9605 299.5758 -22.1744 2.4566 761299.2598 19.0022 19.0145 PRESSURE: 4195400 -129.919 -195.699 -301.752 -195.699 3.80976 130.897 -301.753 130.898 -475.295 GPRESSURE: 4195400 -59.057 -192.71 -291.778 -86.4075 -64.3243 84.1131 -242.569 95.9913 -387.106 PRESSAVG: 4195400 38.1115 -43.1133 23.5436 -43.1133 8.72676 -41.1646 23.5436 -41.1646 -23.729 GPRESSAVG: 4195400 38.8525 -40.6511 22.6968 -43.236 7.79777 -42.8441 27.6517 -41.1959 -23.5105 TIMING: 4195400 CPU: 13105.1, 0.00314473/step Wall: 13105.1, 0.00314473/step, 0.702847 hours remaining, 234.257812 MB of memory in use. ENERGY: 4195400 3991.2166 20531.0171 14490.5484 233.3672 -203314.6809 2888.5053 0.0000 0.0000 52087.5499 -109092.4764 299.3479 -161180.0263 -108730.5766 299.6854 -200.4679 -170.1626 762653.7052 7.7031 7.7133 PRESSURE: 4195600 267.3 -221.214 -46.425 -221.213 58.4708 3.95863 -46.4251 3.95891 176.659 GPRESSURE: 4195600 223.81 -231.784 50.5658 -301.798 175.783 43.4816 -99.2039 -8.06257 178.213 PRESSAVG: 4195600 -10.3899 -13.1492 25.9021 -13.1492 28.2613 -19.9982 25.902 -19.9982 -0.49003 GPRESSAVG: 4195600 -11.4465 -12.8941 25.592 -15.1668 29.6034 -17.1895 23.9171 -20.7371 -0.699424 TIMING: 4195600 CPU: 13105.7, 0.00312498/step Wall: 13105.7, 0.00312497/step, 0.698258 hours remaining, 234.257812 MB of memory in use. ENERGY: 4195600 4015.3503 20518.4519 14413.4821 232.2722 -203433.1700 2662.1871 0.0000 0.0000 52283.7603 -109307.6661 300.4755 -161591.4264 -108934.1979 299.5481 167.4766 192.6021 760888.0688 5.7938 5.8191 PRESSURE: 4195800 -358.121 -13.9273 188.631 -13.9269 -92.3823 -276.638 188.632 -276.639 -130.286 GPRESSURE: 4195800 -361.886 -146.875 131.223 28.7334 -83.7706 -303.081 158.662 -160.154 -65.5495 PRESSAVG: 4195800 -21.6042 17.3413 18.3147 17.3413 24.6964 -65.5951 18.3147 -65.5951 33.2112 GPRESSAVG: 4195800 -22.294 14.8588 17.5117 18.1377 25.6199 -66.0695 18.9253 -65.1497 32.9228 TIMING: 4195800 CPU: 13106.4, 0.00314329/step Wall: 13106.4, 0.00314329/step, 0.702177 hours remaining, 234.257812 MB of memory in use. ENERGY: 4195800 4028.0231 20570.9082 14374.8588 229.8310 -202785.6811 2435.7539 0.0000 0.0000 51933.2070 -109213.0991 298.4609 -161146.3061 -108858.6177 299.0460 -193.5966 -170.4019 761581.9698 12.1011 12.0829 PRESSURE: 4196000 35.595 60.7417 -113.553 60.7424 -48.4982 134.1 -113.554 134.101 -67.4955 GPRESSURE: 4196000 19.5807 12.6643 -101.617 166.538 48.9497 86.7603 -8.59221 128.474 -65.3787 PRESSAVG: 4196000 -0.557024 -7.39821 13.1498 -7.39819 25.5697 -7.97714 13.1497 -7.97713 -17.3401 GPRESSAVG: 4196000 2.02918 -5.55301 15.5438 -7.04577 24.8256 -7.75497 12.1194 -7.10194 -18.7349 TIMING: 4196000 CPU: 13107, 0.0031221/step Wall: 13107, 0.0031221/step, 0.69727 hours remaining, 234.257812 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: 4196000 4069.6570 20433.1955 14433.1235 220.9280 -202781.5948 2384.2232 0.0000 0.0000 51954.0489 -109286.4187 298.5806 -161240.4676 -108928.6295 299.3339 -26.7995 1.0506 762488.9770 2.5575 2.7066 PRESSURE: 4196200 35.5163 -91.0371 32.1732 -91.0363 108.603 -88.0066 32.1736 -88.0061 -4.51605 GPRESSURE: 4196200 49.7891 -76.6973 74.3857 4.89363 147.773 -31.5932 22.4228 -184.583 30.8903 PRESSAVG: 4196200 0.466247 6.19359 25.0582 6.1935 13.0241 -29.4223 25.0583 -29.4222 -10.5258 GPRESSAVG: 4196200 -0.483031 3.66871 25.7138 5.87903 12.0715 -30.8608 25.5277 -28.3904 -8.95853 TIMING: 4196200 CPU: 13107.6, 0.00311492/step Wall: 13107.6, 0.00311491/step, 0.695491 hours remaining, 234.257812 MB of memory in use. ENERGY: 4196200 3958.9441 20502.0574 14376.7328 243.4240 -203298.0267 2790.2593 0.0000 0.0000 52025.1945 -109401.4145 298.9895 -161426.6090 -109034.1308 299.0266 46.5344 76.1509 762899.3807 0.9882 0.8767 LDB: ============= START OF LOAD BALANCING ============== 13120.1 LDB: ============== END OF LOAD BALANCING =============== 13120.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13120.1 LDB: ============= START OF LOAD BALANCING ============== 13120.4 LDB: Largest compute 7026 load 0.028925 is 14.8% of average load 0.195304 LDB: Average compute 0.004384 is 2.2% of average load 0.195304 LDB: TIME 13120.4 LOAD: AVG 0.195304 MAX 0.21772 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.781 MB LDB: TIME 13120.4 LOAD: AVG 0.195304 MAX 0.21772 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.781 MB LDB: TIME 13120.4 LOAD: AVG 0.195304 MAX 0.21772 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.781 MB LDB: ============== END OF LOAD BALANCING =============== 13120.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13120.4 PRESSURE: 4196400 -1.98284 26.8029 128.876 26.8025 217.988 55.9047 128.876 55.905 273.81 GPRESSURE: 4196400 48.1752 62.4709 6.2459 -42.9067 254.204 -33.0459 105.24 0.532629 290.322 PRESSAVG: 4196400 -47.5929 3.72342 61.0578 3.72339 55.7441 -28.4272 61.0578 -28.4272 -11.7709 GPRESSAVG: 4196400 -46.2523 4.48527 59.805 5.12953 55.8331 -26.5602 60.6278 -30.5704 -13.2386 TIMING: 4196400 CPU: 13108.3, 0.00319404/step Wall: 13108.3, 0.00319404/step, 0.71298 hours remaining, 234.261719 MB of memory in use. ENERGY: 4196400 3932.7764 20593.8120 14458.0091 243.1425 -203463.3096 2827.5908 0.0000 0.0000 52036.7630 -109371.2158 299.0560 -161407.9788 -108997.4115 299.1709 163.2716 197.5670 763372.9186 -1.2066 -1.2192 PRESSURE: 4196600 -89.9604 79.747 -68.7394 79.7466 192.355 247.294 -68.7395 247.293 -2.02901 GPRESSURE: 4196600 -99.2381 13.6716 -17.0552 80.9517 298.772 241.466 4.06682 230.215 -14.6642 PRESSAVG: 4196600 -47.2588 6.99876 -8.86141 6.99877 22.5842 -7.74834 -8.86139 -7.74849 -2.00276 GPRESSAVG: 4196600 -49.7519 7.71348 -8.91254 5.88439 24.1451 -9.22165 -5.26877 -10.0975 -1.41818 TIMING: 4196600 CPU: 13108.9, 0.00311928/step Wall: 13108.9, 0.00311928/step, 0.696119 hours remaining, 234.664062 MB of memory in use. ENERGY: 4196600 4019.9323 20672.4368 14422.5954 230.3140 -203722.7090 2916.5947 0.0000 0.0000 52197.5309 -109263.3049 299.9799 -161460.8358 -108896.6295 299.2027 33.4553 61.6234 763923.6563 -8.8924 -9.0083 PRESSURE: 4196800 308.77 301.367 -11.3089 301.367 648.679 -211.579 -11.3092 -211.581 496.786 GPRESSURE: 4196800 384.262 288.296 71.701 157.116 666.627 -239.546 -148.218 -24.1002 465.024 PRESSAVG: 4196800 -9.60414 -1.46406 20.5516 -1.46411 9.30782 -31.928 20.5515 -31.9281 9.40166 GPRESSAVG: 4196800 -9.47858 -1.19457 18.9933 -1.79651 8.2978 -31.5298 19.8734 -29.7101 10.2036 TIMING: 4196800 CPU: 13109.5, 0.00312991/step Wall: 13109.5, 0.00312991/step, 0.698318 hours remaining, 234.664062 MB of memory in use. ENERGY: 4196800 3949.4252 20608.2065 14544.3090 254.2747 -203861.5665 3270.3896 0.0000 0.0000 52095.1876 -109139.7739 299.3918 -161234.9616 -108789.9478 299.5285 484.7452 505.3043 760752.2368 3.0351 3.0076 PRESSURE: 4197000 395.103 -77.4318 -330.369 -77.4311 301.382 53.4866 -330.37 53.4867 8.99165 GPRESSURE: 4197000 349.247 -97.7973 -262.204 -18.6211 420.786 160.01 -278.442 -21.4204 8.41747 PRESSAVG: 4197000 -23.0061 -21.8638 14.2685 -21.8638 31.1951 -51.0307 14.2685 -51.0306 28.9716 GPRESSAVG: 4197000 -21.9239 -22.6655 16.3617 -20.5593 30.8087 -51.4026 11.0408 -50.1882 27.8416 TIMING: 4197000 CPU: 13110.1, 0.00312469/step Wall: 13110.1, 0.00312469/step, 0.69698 hours remaining, 234.664062 MB of memory in use. ENERGY: 4197000 4028.6516 20610.8268 14460.0635 234.3965 -203604.6098 2937.9312 0.0000 0.0000 52062.8761 -109269.8641 299.2061 -161332.7402 -108920.1662 299.4224 235.1589 259.4835 761635.4585 12.3869 12.2421 PRESSURE: 4197200 -136 -165.384 -29.6008 -165.384 72.8507 -197.905 -29.6006 -197.904 -176.44 GPRESSURE: 4197200 -75.8794 -156.132 -71.2681 -90.7257 27.3983 -189.816 135.805 -86.9911 -108.712 PRESSAVG: 4197200 -49.5072 -49.1643 0.536987 -49.1643 48.5328 43.0969 0.537009 43.0969 1.65183 GPRESSAVG: 4197200 -50.6175 -49.4616 -1.83879 -49.2746 49.2567 45.3542 3.95408 42.7548 2.64322 TIMING: 4197200 CPU: 13110.8, 0.00313609/step Wall: 13110.8, 0.00313609/step, 0.699348 hours remaining, 234.664062 MB of memory in use. ENERGY: 4197200 3989.7555 20399.7147 14533.2995 241.7467 -203361.1752 2701.4319 0.0000 0.0000 52246.5753 -109248.6516 300.2618 -161495.2269 -108892.7252 299.4977 -79.8631 -52.3976 763560.2762 0.2258 0.4275 PRESSURE: 4197400 -149.948 65.8338 -3.90827 65.8336 13.2296 -2.76995 -3.90701 -2.76862 79.4283 GPRESSURE: 4197400 -45.9762 135.586 -16.3174 24.8015 -18.0144 -19.6628 -33.7174 -12.8732 79.9009 PRESSAVG: 4197400 -25.0083 -58.4813 8.94584 -58.4813 14.0886 -37.8827 8.94592 -37.8828 -8.31328 GPRESSAVG: 4197400 -24.2436 -57.3907 11.2481 -58.8588 13.8929 -38.6098 6.73047 -39.4125 -9.27119 TIMING: 4197400 CPU: 13111.4, 0.00315291/step Wall: 13111.4, 0.00315291/step, 0.702923 hours remaining, 234.664062 MB of memory in use. ENERGY: 4197400 3994.1733 20501.3119 14484.1482 246.3343 -203157.7850 2593.3108 0.0000 0.0000 51922.2356 -109416.2708 298.3978 -161338.5064 -109059.2024 299.3355 -19.0966 5.3034 762488.5420 -6.4110 -6.5406 PRESSURE: 4197600 139.003 -188.33 8.59531 -188.329 -98.24 245.313 8.59507 245.313 308.305 GPRESSURE: 4197600 96.5443 -227.965 77.2753 -298.451 -36.7676 187.224 55.2505 200.451 359.8 PRESSAVG: 4197600 -12.0243 -3.85932 26.2615 -3.85938 -1.07021 10.9623 26.2614 10.9623 7.52675 GPRESSAVG: 4197600 -12.3879 -3.02107 27.6371 -4.19807 -1.28959 9.81616 27.577 14.0917 8.17204 TIMING: 4197600 CPU: 13112, 0.00313733/step Wall: 13112, 0.00313733/step, 0.699275 hours remaining, 234.664062 MB of memory in use. ENERGY: 4197600 3940.1039 20534.8218 14448.6615 259.1013 -203416.1604 2790.6231 0.0000 0.0000 52053.8841 -109388.9646 299.1544 -161442.8487 -109021.7254 298.6821 116.3559 139.8589 762509.9658 -1.8559 -1.8351 PRESSURE: 4197800 -169.323 197.932 -84.4745 197.933 25.2199 -57.6064 -84.4745 -57.607 107.321 GPRESSURE: 4197800 -153.705 281.632 -58.334 156.777 58.3757 -53.6259 -99.9285 -68.5032 151.88 PRESSAVG: 4197800 -45.3618 -20.906 18.6803 -20.906 45.1408 10.8277 18.6802 10.8278 12.6935 GPRESSAVG: 4197800 -45.9633 -19.3646 18.3232 -22.6437 45.3468 11.4673 18.3636 8.28569 12.7217 TIMING: 4197800 CPU: 13112.7, 0.0031571/step Wall: 13112.7, 0.0031571/step, 0.703507 hours remaining, 234.664062 MB of memory in use. ENERGY: 4197800 3972.5759 20398.9480 14423.1775 259.4514 -203158.0487 2696.2703 0.0000 0.0000 51940.8590 -109466.7666 298.5048 -161407.6256 -109105.5979 298.9095 -12.2607 18.8502 761996.4761 4.1575 4.0351 PRESSURE: 4198000 511.208 -149.866 140.377 -149.866 -244.846 -70.8436 140.378 -70.8451 138.42 GPRESSURE: 4198000 501.547 -111.696 109.198 -165.489 -57.4733 -80.1003 51.4303 -143.177 79.9228 PRESSAVG: 4198000 1.77275 8.31616 -29.4576 8.31618 -29.7316 41.0546 -29.4575 41.0546 3.21467 GPRESSAVG: 4198000 2.69737 4.92895 -29.4006 10.3915 -30.3294 40.0679 -32.4087 40.3514 3.25871 TIMING: 4198000 CPU: 13113.3, 0.00314493/step Wall: 13113.3, 0.00314493/step, 0.70062 hours remaining, 234.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4198000 3925.6329 20455.9515 14475.4974 246.3718 -203598.1852 2926.0016 0.0000 0.0000 52093.8561 -109474.8740 299.3841 -161568.7301 -109122.9618 298.9789 134.9272 174.6656 762235.2292 -8.2481 -8.1244 PRESSURE: 4198200 -190.778 -112.726 -151.21 -112.726 -275.26 10.458 -151.211 10.4584 33.6158 GPRESSURE: 4198200 -183.247 -108.802 -255.631 -109.727 -301.053 45.3668 -37.2054 3.66075 154.793 PRESSAVG: 4198200 72.0309 17.276 -34.8161 17.276 -68.6619 -14.0752 -34.8162 -14.0752 5.3566 GPRESSAVG: 4198200 71.3443 17.3825 -35.6492 15.2351 -69.1431 -13.2729 -29.8824 -14.6653 6.25522 TIMING: 4198200 CPU: 13113.9, 0.00313803/step Wall: 13113.9, 0.00313803/step, 0.698909 hours remaining, 234.664062 MB of memory in use. ENERGY: 4198200 3949.2992 20401.3712 14505.5874 235.2871 -203084.1356 2498.3398 0.0000 0.0000 52176.9404 -109317.3104 299.8616 -161494.2508 -108961.4892 299.4304 -144.1408 -109.8358 761523.3218 2.9086 2.8188 PRESSURE: 4198400 130.905 -134.65 -28.4902 -134.65 -176.252 59.728 -28.491 59.7272 58.5036 GPRESSURE: 4198400 147.291 -60.9603 66.4498 -89.0196 -158.789 97.6128 -9.97008 22.3219 122.713 PRESSAVG: 4198400 19.2431 -53.2975 6.64928 -53.2976 -69.443 -10.738 6.6493 -10.738 -33.8891 GPRESSAVG: 4198400 19.3393 -52.2969 7.07231 -52.158 -68.6944 -11.2682 4.48 -8.0578 -34.831 TIMING: 4198400 CPU: 13114.5, 0.00314748/step Wall: 13114.5, 0.00314748/step, 0.70084 hours remaining, 234.664062 MB of memory in use. ENERGY: 4198400 3909.2265 20387.9110 14439.3156 227.4917 -202916.7558 2563.2550 0.0000 0.0000 51980.3513 -109409.2046 298.7318 -161389.5560 -109041.5404 299.2024 4.3856 37.0717 762700.3004 -28.0296 -28.0621 PRESSURE: 4198600 -41.3934 -32.2796 -96.4212 -32.2798 -103.601 -124.301 -96.4211 -124.302 73.8951 GPRESSURE: 4198600 -4.89971 -53.6621 -6.09387 0.453027 -17.4345 -99.5066 -58.6363 -184.468 42.5733 PRESSAVG: 4198600 53.0139 -52.1584 -25.0916 -52.1583 -15.5127 -31.4426 -25.0916 -31.4426 3.80358 GPRESSAVG: 4198600 54.7051 -52.4665 -25.2445 -52.8069 -16.0637 -32.17 -23.7921 -30.2321 3.09203 TIMING: 4198600 CPU: 13115.2, 0.00311246/step Wall: 13115.2, 0.00311246/step, 0.692869 hours remaining, 234.664062 MB of memory in use. ENERGY: 4198600 3902.4348 20405.4203 14476.5370 256.6294 -203534.8881 2830.7075 0.0000 0.0000 52309.0493 -109354.1098 300.6208 -161663.1590 -108990.3954 299.0229 -23.6998 6.7464 762999.8536 13.7683 13.9111 PRESSURE: 4198800 225.319 -10.8294 -4.60798 -10.8291 9.49712 161.918 -4.60781 161.917 -126.404 GPRESSURE: 4198800 90.3863 84.8618 -29.2392 -33.5869 92.2754 148.119 2.91801 119.577 -18.1048 PRESSAVG: 4198800 -7.78411 -27.7137 9.94538 -27.7137 6.33814 -28.959 9.94539 -28.959 -6.77863 GPRESSAVG: 4198800 -9.21016 -28.6042 10.2619 -26.7425 7.79519 -29.7762 6.74175 -31.024 -7.07935 TIMING: 4198800 CPU: 13115.8, 0.00312519/step Wall: 13115.8, 0.00312519/step, 0.695529 hours remaining, 234.664062 MB of memory in use. ENERGY: 4198800 4019.6074 20543.9488 14464.2415 249.1992 -203737.3337 2730.1701 0.0000 0.0000 52156.2471 -109573.9196 299.7427 -161730.1666 -109210.2448 298.6422 36.1373 54.8523 762342.8012 -2.7415 -2.8314 PRESSURE: 4199000 -234.271 36.7068 -132.802 36.7055 128.38 25.9123 -132.802 25.9128 86.3527 GPRESSURE: 4199000 -118.032 16.6206 -34.2129 132.41 77.3385 22.6129 -84.8749 146.45 104.23 PRESSAVG: 4199000 -38.6859 -65.2821 13.2156 -65.2821 10.9094 3.32223 13.2155 3.32224 10.166 GPRESSAVG: 4199000 -38.0652 -63.9435 12.8838 -65.1392 9.43262 4.35645 15.8066 3.17518 10.8488 TIMING: 4199000 CPU: 13116.4, 0.0031283/step Wall: 13116.4, 0.0031283/step, 0.696046 hours remaining, 234.664062 MB of memory in use. ENERGY: 4199000 3954.3217 20577.0302 14476.4923 257.6855 -203240.7637 2494.0200 0.0000 0.0000 51984.7012 -109496.5127 298.7568 -161481.2140 -109137.6343 299.0133 -6.5127 21.1790 761041.5008 -5.8701 -5.9279 PRESSURE: 4199200 -281.62 -185.172 71.2546 -185.172 -158.645 79.3629 71.2543 79.3637 -382.372 GPRESSURE: 4199200 -305.789 -166.996 24.3098 -179.062 -149.63 13.6887 106.491 7.54525 -278.458 PRESSAVG: 4199200 -9.3109 -25.7336 36.0316 -25.7337 11.1761 -7.02795 36.0316 -7.02791 -24.8006 GPRESSAVG: 4199200 -9.58766 -26.117 36.0535 -26.8004 11.3036 -6.38806 35.7656 -6.754 -25.0421 TIMING: 4199200 CPU: 13117, 0.00313051/step Wall: 13117, 0.00313051/step, 0.696364 hours remaining, 234.664062 MB of memory in use. ENERGY: 4199200 4025.9134 20392.4986 14482.2821 261.8080 -203431.5224 2633.0550 0.0000 0.0000 52289.4091 -109346.5562 300.5080 -161635.9653 -108978.4639 299.8040 -274.2121 -244.6256 761278.3152 -7.6451 -7.7754 PRESSURE: 4199400 210.331 -72.2425 205.738 -72.2434 7.81939 52.8828 205.738 52.8824 -108.343 GPRESSURE: 4199400 218.066 -160.748 249.079 -59.2303 56.0055 13.2722 127.356 7.46483 -76.3575 PRESSAVG: 4199400 -65.659 -48.2111 49.6051 -48.2111 41.5114 -29.0095 49.6051 -29.0095 20.8965 GPRESSAVG: 4199400 -66.3123 -49.8909 50.5448 -45.8987 41.6903 -27.6942 46.6574 -31.9279 21.4817 TIMING: 4199400 CPU: 13117.7, 0.00311453/step Wall: 13117.7, 0.00311453/step, 0.692638 hours remaining, 234.664062 MB of memory in use. ENERGY: 4199400 4008.1674 20387.7092 14521.2646 241.3012 -203242.2468 2578.6122 0.0000 0.0000 51904.8868 -109600.3054 298.2981 -161505.1921 -109230.3993 299.3609 36.6024 65.9046 761125.8775 -1.0837 -1.0468 PRESSURE: 4199600 72.6439 106.847 59.103 106.847 146.843 -35.8419 59.1028 -35.841 -132.569 GPRESSURE: 4199600 92.614 207.247 32.5511 101.002 182.042 -7.67002 -77.3097 10.4493 -97.1583 PRESSAVG: 4199600 -0.47237 -21.2267 8.70214 -21.2266 41.6761 4.74208 8.70214 4.74196 7.66394 GPRESSAVG: 4199600 0.452352 -20.2412 8.70611 -21.9925 42.0002 2.47221 9.00065 7.93215 6.35754 TIMING: 4199600 CPU: 13118.3, 0.00312722/step Wall: 13118.3, 0.00312722/step, 0.695286 hours remaining, 234.664062 MB of memory in use. ENERGY: 4199600 3923.6798 20542.6443 14497.1048 253.3845 -203420.0683 2600.1336 0.0000 0.0000 52133.5460 -109469.5754 299.6122 -161603.1214 -109118.2554 298.6963 28.9727 59.1659 759798.6573 16.2892 16.2700 PRESSURE: 4199800 -387.335 -204.205 -21.7116 -204.206 -155.694 -167.43 -21.7111 -167.43 81.9298 GPRESSURE: 4199800 -412.945 -56.1927 -55.9912 -131.587 -25.7817 -233.327 116.236 -177.939 55.9027 PRESSAVG: 4199800 -38.1399 50.6901 31.7014 50.6901 70.5255 -8.46057 31.7014 -8.46054 4.5425 GPRESSAVG: 4199800 -39.2239 51.2955 30.4462 49.3974 71.8001 -9.0415 34.3376 -8.39964 4.2201 TIMING: 4199800 CPU: 13118.9, 0.00314274/step Wall: 13118.9, 0.00314274/step, 0.698562 hours remaining, 234.664062 MB of memory in use. ENERGY: 4199800 4006.2451 20339.3306 14432.0654 240.9656 -203226.7600 2332.1767 0.0000 0.0000 52177.2716 -109698.7051 299.8635 -161875.9767 -109327.0891 298.8779 -153.6998 -127.6080 762496.6841 12.3094 12.2654 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 4200000 WRITING COORDINATES TO RESTART FILE AT STEP 4200000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4200000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4200000 -23.3792 -53.4918 47.3662 -53.4927 151.295 -92.3262 47.3657 -92.3267 -41.2167 GPRESSURE: 4200000 31.3118 -19.9846 62.0778 -117.592 199.408 -66.9839 -40.9951 -171.393 -68.8418 PRESSAVG: 4200000 -74.3189 9.82149 42.8141 9.82145 91.3722 -27.4493 42.8141 -27.4493 -2.41657 GPRESSAVG: 4200000 -73.0428 8.09369 43.6575 11.8489 89.6151 -25.7598 41.4558 -31.3189 -2.1089 TIMING: 4200000 CPU: 13119.6, 0.00352674/step Wall: 13119.6, 0.00352674/step, 0.78372 hours remaining, 234.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4200000 3924.9881 20594.9221 14532.7865 223.4604 -203232.3737 2633.2370 0.0000 0.0000 51845.8626 -109477.1170 297.9589 -161322.9797 -109133.8567 298.8174 28.8997 53.9593 761145.6637 4.8789 4.8211 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4200000 PRESSURE: 4200200 -8.84273 209.671 -47.2281 209.671 -109.743 114.037 -47.2284 114.036 16.5308 GPRESSURE: 4200200 -10.9294 152.424 -83.4536 62.7637 -35.0102 104.083 -96.5528 235.872 36.7028 PRESSAVG: 4200200 51.1922 -3.45953 36.8826 -3.45952 4.458 -28.2014 36.8826 -28.2014 14.3927 GPRESSAVG: 4200200 49.516 -1.89327 36.4445 -6.93858 5.18018 -30.2002 36.1573 -26.6838 15.5585 TIMING: 4200200 CPU: 13120.3, 0.00332455/step Wall: 13120.3, 0.00332455/step, 0.738605 hours remaining, 234.664062 MB of memory in use. ENERGY: 4200200 3989.6936 20462.1156 14551.7612 237.0153 -203323.1544 2538.8590 0.0000 0.0000 51916.6635 -109627.0461 298.3658 -161543.7096 -109269.4834 299.0435 -34.0184 -3.0789 761486.7046 23.3476 23.4182 LDB: ============= START OF LOAD BALANCING ============== 13132.8 LDB: ============== END OF LOAD BALANCING =============== 13132.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13132.8 LDB: ============= START OF LOAD BALANCING ============== 13133.1 LDB: Largest compute 7026 load 0.031277 is 16.0% of average load 0.195181 LDB: Average compute 0.004396 is 2.3% of average load 0.195181 LDB: TIME 13133.1 LOAD: AVG 0.195181 MAX 0.217098 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.773 MB LDB: TIME 13133.1 LOAD: AVG 0.195181 MAX 0.217098 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.773 MB LDB: TIME 13133.1 LOAD: AVG 0.195181 MAX 0.217098 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.773 MB LDB: ============== END OF LOAD BALANCING =============== 13133.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13133.1 PRESSURE: 4200400 124.117 21.6122 -111.721 21.613 22.118 17.4347 -111.721 17.4354 304.758 GPRESSURE: 4200400 248.773 -37.7976 -96.7378 40.2511 25.3574 -0.725478 -97.6584 67.74 273.609 PRESSAVG: 4200400 86.0174 -21.4915 -0.055219 -21.4915 -24.4855 -0.763459 -0.05521 -0.763461 -1.379 GPRESSAVG: 4200400 86.6102 -21.8752 0.0472987 -18.4284 -24.6149 -0.442976 0.159649 2.87297 -1.71015 TIMING: 4200400 CPU: 13120.9, 0.00317917/step Wall: 13120.9, 0.00317917/step, 0.706129 hours remaining, 234.773438 MB of memory in use. ENERGY: 4200400 3894.4044 20320.5938 14470.1595 238.1226 -203111.2349 2384.5718 0.0000 0.0000 52063.2394 -109740.1433 299.2082 -161803.3827 -109375.5819 299.1360 150.3310 182.5800 759846.9788 20.0510 20.0951 PRESSURE: 4200600 -269.711 -69.9757 -309.917 -69.9759 -216.218 -223.751 -309.917 -223.751 -194.799 GPRESSURE: 4200600 -265.302 -20.772 -350.953 -60.0062 -123.383 -216.605 -243.394 -204.528 -211.112 PRESSAVG: 4200600 8.01676 25.4141 -50.7617 25.4141 -1.83461 51.048 -50.7617 51.0479 5.64662 GPRESSAVG: 4200600 8.29947 25.7868 -50.7473 23.0376 -0.751853 50.6297 -51.1682 48.9328 4.58488 TIMING: 4200600 CPU: 13121.5, 0.00312281/step Wall: 13121.5, 0.00312281/step, 0.693438 hours remaining, 235.101562 MB of memory in use. ENERGY: 4200600 3946.1810 20340.7372 14449.9502 237.5765 -202874.4760 2250.0350 0.0000 0.0000 51773.7082 -109876.2878 297.5442 -161649.9961 -109507.9070 298.4434 -226.9094 -199.9322 760824.4293 3.9429 4.0442 PRESSURE: 4200800 -189.331 -166.247 -110.363 -166.247 -369.805 -108.951 -110.363 -108.951 -221.178 GPRESSURE: 4200800 -48.8566 -162.718 -83.3472 -132.072 -348.151 -97.9396 -84.2876 20.7716 -299.564 PRESSAVG: 4200800 -28.7796 43.2846 -31.6638 43.2846 39.9813 -13.1973 -31.6638 -13.1972 -8.74391 GPRESSAVG: 4200800 -27.5157 43.6451 -32.5919 47.1572 39.8244 -11.5609 -32.4586 -12.5563 -9.00482 TIMING: 4200800 CPU: 13122.2, 0.00313134/step Wall: 13122.2, 0.00313134/step, 0.695157 hours remaining, 235.101562 MB of memory in use. ENERGY: 4200800 4013.1006 20399.8659 14454.3561 251.7518 -203109.9659 2315.8208 0.0000 0.0000 52013.3707 -109661.7000 298.9216 -161675.0707 -109298.7170 298.3278 -260.1046 -232.1907 760568.3507 0.8192 1.1013 PRESSURE: 4201000 -86.1429 -109.194 148.225 -109.194 181.127 19.8954 148.225 19.8959 276.065 GPRESSURE: 4201000 -58.5976 -150.211 209.045 -98.5072 142.836 1.67663 191.716 50.9774 371.585 PRESSAVG: 4201000 -14.6031 29.8655 -8.34114 29.8654 37.9848 8.14959 -8.34117 8.14964 -25.3682 GPRESSAVG: 4201000 -16.0138 29.708 -7.29674 27.7342 36.9246 6.32189 -7.41495 7.8017 -23.4024 TIMING: 4201000 CPU: 13122.8, 0.00312384/step Wall: 13122.8, 0.00312384/step, 0.693318 hours remaining, 235.101562 MB of memory in use. ENERGY: 4201000 3878.3716 20373.9198 14439.7213 250.5167 -203132.5706 2620.4576 0.0000 0.0000 51927.2885 -109642.2952 298.4268 -161569.5837 -109282.7788 298.5493 123.6833 151.9412 760359.5877 -0.6622 -0.8305 PRESSURE: 4201200 111.256 56.7517 178.258 56.7521 -142.742 21.2705 178.257 21.271 226.879 GPRESSURE: 4201200 146.806 206.185 152.72 85.8258 -142.876 10.3575 -22.3393 -37.2761 291.482 PRESSAVG: 4201200 -46.2988 3.77781 35.9844 3.77772 40.441 29.8651 35.9843 29.8651 20.3456 GPRESSAVG: 4201200 -45.5728 2.96838 35.4081 4.05701 41.2491 30.3502 34.5971 28.7866 19.7304 TIMING: 4201200 CPU: 13123.4, 0.00314309/step Wall: 13123.4, 0.00314309/step, 0.697416 hours remaining, 235.101562 MB of memory in use. ENERGY: 4201200 3901.0015 20397.7085 14478.3719 248.6859 -202921.0927 2544.7941 0.0000 0.0000 51883.9440 -109466.5868 298.1777 -161350.5307 -109112.6663 298.1257 65.1312 98.4708 761543.3992 4.8292 5.1356 PRESSURE: 4201400 -108.516 -134.361 160.891 -134.36 -290.627 -109.55 160.891 -109.55 -232.849 GPRESSURE: 4201400 14.9624 24.8531 292.204 -162.816 -303.312 -48.7445 145.459 -97.0433 -249.717 PRESSAVG: 4201400 24.2068 7.8073 43.2054 7.80731 -24.0878 14.8181 43.2054 14.8181 -6.33994 GPRESSAVG: 4201400 23.957 8.63878 42.8569 7.76509 -24.8266 14.2209 43.9793 16.8567 -5.97796 TIMING: 4201400 CPU: 13124.1, 0.00313568/step Wall: 13124.1, 0.00313568/step, 0.695599 hours remaining, 235.101562 MB of memory in use. ENERGY: 4201400 3937.0904 20361.0432 14421.3095 265.3824 -202417.9569 2103.5107 0.0000 0.0000 51802.3800 -109527.2409 297.7090 -161329.6208 -109174.8473 298.3757 -210.6639 -179.3556 761177.8344 -2.0736 -2.2825 PRESSURE: 4201600 -104.641 96.0418 64.5132 96.0412 111.677 -0.512933 64.5137 -0.511797 -45.933 GPRESSURE: 4201600 -69.8276 15.7921 79.9773 35.6319 148.049 -20.6348 -109.732 74.6092 -45.5146 PRESSAVG: 4201600 12.1104 9.44755 26.6185 9.44752 -41.0237 -12.315 26.6185 -12.315 3.7138 GPRESSAVG: 4201600 12.3171 7.2249 27.7947 10.9564 -40.4661 -12.4505 27.3391 -14.4679 2.89177 TIMING: 4201600 CPU: 13124.7, 0.00313123/step Wall: 13124.7, 0.00313123/step, 0.694438 hours remaining, 235.101562 MB of memory in use. ENERGY: 4201600 3884.2656 20383.7477 14355.2808 243.9261 -203029.8224 2566.4242 0.0000 0.0000 52062.8225 -109533.3553 299.2058 -161596.1779 -109169.2966 298.4329 -12.9657 10.9021 763458.1646 -8.3998 -8.4191 PRESSURE: 4201800 -139.086 -137.944 -56.6186 -137.945 -279.547 31.3178 -56.6183 31.3177 10.6226 GPRESSURE: 4201800 -86.5526 -121.161 -116.254 -138.865 -323.104 -61.9132 -133.312 -48.6693 59.9766 PRESSAVG: 4201800 23.1076 11.6461 1.53411 11.6461 -24.7491 12.7584 1.5341 12.7583 0.689495 GPRESSAVG: 4201800 23.918 13.631 1.01119 8.75158 -25.4516 12.1261 -0.662096 14.1233 0.259367 TIMING: 4201800 CPU: 13125.3, 0.00312906/step Wall: 13125.3, 0.00312906/step, 0.693782 hours remaining, 235.101562 MB of memory in use. ENERGY: 4201800 4021.1020 20465.9128 14400.9284 239.6232 -203413.0870 2614.1214 0.0000 0.0000 52198.4175 -109472.9817 299.9850 -161671.3992 -109102.8674 298.6783 -136.0036 -116.5600 762855.2267 -0.3173 -0.4247 PRESSURE: 4202000 6.44373 -47.1344 -7.20241 -47.1343 -99.6658 334.997 -7.20253 334.997 226.119 GPRESSURE: 4202000 -21.7796 -65.1284 42.3351 -23.0091 -55.0464 240.554 59.0259 254.973 279.914 PRESSAVG: 4202000 -30.6903 -5.57325 10.7226 -5.57313 -17.896 23.4584 10.7226 23.4584 5.4363 GPRESSAVG: 4202000 -32.6702 -6.89508 12.2049 -4.0212 -16.8305 24.0831 10.5032 20.0863 7.07032 TIMING: 4202000 CPU: 13125.9, 0.00313594/step Wall: 13125.9, 0.00313594/step, 0.695134 hours remaining, 235.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4202000 4002.8294 20577.3691 14432.9069 255.8917 -203235.3653 2674.3056 0.0000 0.0000 51979.3276 -109312.7351 298.7259 -161292.0627 -108963.1217 299.1007 44.2990 67.6958 761815.1339 -14.3833 -14.1435 PRESSURE: 4202200 368.81 200.528 234.795 200.528 -340.79 -139.751 234.794 -139.751 336.66 GPRESSURE: 4202200 227.543 219.71 235.014 216.379 -154.026 -190.612 203.484 21.5766 389.174 PRESSAVG: 4202200 -37.7096 -5.58883 47.7389 -5.58876 25.5843 -25.076 47.7389 -25.0759 13.2608 GPRESSAVG: 4202200 -37.2498 -5.78074 47.2563 -7.44607 26.0541 -25.3408 48.2342 -23.0492 13.1622 TIMING: 4202200 CPU: 13126.6, 0.00313162/step Wall: 13126.6, 0.00313162/step, 0.694002 hours remaining, 235.101562 MB of memory in use. ENERGY: 4202200 3957.8813 20555.0998 14386.7854 271.6705 -202854.0077 2465.0372 0.0000 0.0000 51849.6389 -109367.8945 297.9806 -161217.5334 -109005.8707 299.0144 121.5600 154.2301 762221.3642 0.3785 0.6555 PRESSURE: 4202400 -171.909 -173.199 -94.1033 -173.199 233.67 -152.978 -94.1045 -152.978 -243.307 GPRESSURE: 4202400 -99.9426 -175.487 9.65765 -188.173 189.654 -69.3398 -51.6764 -138.375 -170.025 PRESSAVG: 4202400 -24.8829 3.41148 25.3543 3.41144 22.215 -26.0941 25.3544 -26.0941 2.54219 GPRESSAVG: 4202400 -24.7782 6.01477 24.3616 4.70601 22.6492 -24.5282 27.2733 -25.6944 1.88858 TIMING: 4202400 CPU: 13127.2, 0.00315161/step Wall: 13127.2, 0.00315161/step, 0.698257 hours remaining, 235.101562 MB of memory in use. ENERGY: 4202400 3968.8165 20285.1298 14427.1222 264.3055 -203180.5806 2612.5102 0.0000 0.0000 52179.2540 -109443.4423 299.8749 -161622.6963 -109076.5816 299.3464 -60.5154 -26.7709 759687.6335 -0.0419 -0.0801 PRESSURE: 4202600 233.977 -105.191 -74.43 -105.191 -349.898 113.621 -74.4305 113.621 -254.635 GPRESSURE: 4202600 288.701 -179.146 -48.6933 -86.8959 -297.37 161.901 -32.3966 80.6747 -255.978 PRESSAVG: 4202600 16.7038 -75.1999 38.6717 -75.1998 -37.5262 -35.9288 38.6717 -35.9287 2.04594 GPRESSAVG: 4202600 18.836 -77.0503 38.9114 -75.6692 -38.3644 -37.6967 38.929 -34.3929 1.66251 TIMING: 4202600 CPU: 13127.8, 0.00313988/step Wall: 13127.8, 0.00313989/step, 0.695485 hours remaining, 235.101562 MB of memory in use. ENERGY: 4202600 3939.1537 20438.4364 14402.8960 244.9370 -203104.5820 2591.7013 0.0000 0.0000 52211.0132 -109276.4444 300.0574 -161487.4576 -108904.0105 298.6222 -123.5186 -88.2156 762303.5264 -6.2588 -5.9553 PRESSURE: 4202800 -331.284 -155.306 126.12 -155.305 -372.042 143.749 126.121 143.749 -219.731 GPRESSURE: 4202800 -312.029 -264.737 181.883 -30.512 -291.389 98.593 134.409 179.595 -247.108 PRESSAVG: 4202800 -2.84398 -51.3164 5.15966 -51.3163 -2.87486 8.37878 5.15964 8.37879 -3.49899 GPRESSAVG: 4202800 -2.63603 -50.9627 5.91932 -50.2869 -1.71083 10.0384 5.37057 5.49822 -4.61074 TIMING: 4202800 CPU: 13128.4, 0.00311244/step Wall: 13128.4, 0.00311245/step, 0.689234 hours remaining, 235.101562 MB of memory in use. ENERGY: 4202800 3926.7993 20659.8822 14431.0327 253.0415 -202634.2990 2238.9295 0.0000 0.0000 51946.5466 -109178.0672 298.5375 -161124.6138 -108822.0125 299.5867 -307.6856 -283.5086 762885.5314 -3.0726 -2.9859 PRESSURE: 4203000 406.416 -114.37 -56.503 -114.37 292.036 178.304 -56.5032 178.304 88.3015 GPRESSURE: 4203000 456.477 -155.818 -96.3785 -177.798 277.021 281.394 -72.1067 55.6949 152.725 PRESSAVG: 4203000 -20.0463 -44.685 14.6407 -44.685 79.5487 19.1982 14.6407 19.1982 13.1118 GPRESSAVG: 4203000 -22.2009 -42.53 12.0242 -46.7561 78.945 20.224 11.1583 20.7766 15.7286 TIMING: 4203000 CPU: 13129.1, 0.00311921/step Wall: 13129.1, 0.00311921/step, 0.690559 hours remaining, 235.101562 MB of memory in use. ENERGY: 4203000 3966.3679 20252.3908 14534.0535 249.8992 -203137.5544 2665.8631 0.0000 0.0000 52192.1743 -109276.8056 299.9491 -161468.9798 -108912.9642 299.1092 262.2511 295.4075 761686.1180 24.2047 24.1576 PRESSURE: 4203200 -544.21 -48.1006 -223.863 -48.1006 -275.65 -172.288 -223.864 -172.289 431.082 GPRESSURE: 4203200 -423.874 -70.4641 -181.862 -30.7404 -282.924 -195.175 -133.936 -133.184 398.188 PRESSAVG: 4203200 -24.3362 -19.3285 -22.877 -19.3284 22.087 -17.4791 -22.877 -17.4791 16.8474 GPRESSAVG: 4203200 -22.2179 -20.6934 -21.8149 -17.5178 22.5681 -20.3611 -21.5582 -18.3459 14.7373 TIMING: 4203200 CPU: 13129.7, 0.00313132/step Wall: 13129.7, 0.00313132/step, 0.693066 hours remaining, 235.101562 MB of memory in use. ENERGY: 4203200 4009.7781 20373.9064 14509.7005 255.3576 -202482.8108 2303.8581 0.0000 0.0000 51870.9717 -109159.2385 298.1032 -161030.2102 -108803.9072 298.5657 -129.5926 -102.8700 762861.6406 4.8660 5.0292 PRESSURE: 4203400 -132.26 -46.4729 -322.039 -46.4729 56.2865 -245.057 -322.037 -245.056 85.002 GPRESSURE: 4203400 -48.5126 -87.4158 -301.94 -50.4171 72.7639 -193.184 -367.817 -236.791 67.7933 PRESSAVG: 4203400 -36.1564 24.7058 11.8071 24.7058 -22.9663 13.6341 11.807 13.6341 -8.35834 GPRESSAVG: 4203400 -36.4047 24.0616 13.5433 24.1313 -22.6223 13.7103 9.79503 13.7236 -8.84103 TIMING: 4203400 CPU: 13130.3, 0.00311568/step Wall: 13130.3, 0.00311568/step, 0.689431 hours remaining, 235.101562 MB of memory in use. ENERGY: 4203400 3897.9068 20467.7945 14381.1190 240.4389 -202826.0190 2501.2969 0.0000 0.0000 52071.3670 -109266.0959 299.2549 -161337.4629 -108916.1810 298.8904 3.0095 30.6816 762230.5888 -22.4937 -22.6227 PRESSURE: 4203600 73.038 -198.887 121.507 -198.887 -6.93396 49.7639 121.508 49.7625 -466.664 GPRESSURE: 4203600 165.044 -131.685 110.144 -205.301 -27.274 83.9599 96.3388 67.0311 -448.158 PRESSAVG: 4203600 58.5704 12.8333 -15.7477 12.8333 -84.9251 -20.597 -15.7477 -20.597 13.7459 GPRESSAVG: 4203600 57.6078 12.503 -15.1047 12.8217 -85.059 -19.9793 -13.7009 -21.6918 15.3824 TIMING: 4203600 CPU: 13130.9, 0.00316157/step Wall: 13130.9, 0.00316157/step, 0.69941 hours remaining, 235.101562 MB of memory in use. ENERGY: 4203600 4023.9833 20283.8559 14476.2904 230.4211 -202733.1330 2645.0765 0.0000 0.0000 51787.8764 -109285.6294 297.6256 -161073.5058 -108922.4037 298.0998 -133.5201 -103.4628 763045.8911 -4.2030 -4.0229 PRESSURE: 4203800 -213.214 101.325 -75.8542 101.325 -436.562 84.6766 -75.8548 84.6761 -107.453 GPRESSURE: 4203800 -260.149 41.5971 -0.969763 116.497 -345.364 26.7418 -121.81 132.91 -73.8828 PRESSAVG: 4203800 -9.73421 -16.4404 -15.5371 -16.4404 26.969 -1.98189 -15.5371 -1.98188 10.0676 GPRESSAVG: 4203800 -9.52312 -15.7854 -16.37 -16.3656 27.3945 -1.44779 -16.469 -1.88585 9.48214 TIMING: 4203800 CPU: 13131.6, 0.00314875/step Wall: 13131.6, 0.00314875/step, 0.696399 hours remaining, 235.101562 MB of memory in use. ENERGY: 4203800 3961.2135 20459.6899 14545.6883 259.2377 -202675.5459 2333.4232 0.0000 0.0000 51857.2706 -109259.0228 298.0244 -161116.2934 -108902.4171 298.7604 -252.4097 -226.4654 762145.2167 9.1008 9.1178 PRESSURE: 4204000 -126.939 185.005 -32.7664 185.006 -116.136 156.992 -32.7667 156.993 184.801 GPRESSURE: 4204000 -88.4642 19.4658 -139.179 162.076 -76.542 99.9606 -164.249 163.073 188.723 PRESSAVG: 4204000 18.9914 67.6699 32.9882 67.6699 -14.8312 23.6852 32.9883 23.6853 13.813 GPRESSAVG: 4204000 19.7501 67.7556 32.6535 67.3091 -16.033 22.0344 33.6338 24.347 14.1386 TIMING: 4204000 CPU: 13132.2, 0.00317171/step Wall: 13132.2, 0.00317171/step, 0.7013 hours remaining, 235.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4204000 3999.5793 20456.2158 14492.3685 237.7226 -203200.2141 2517.8756 0.0000 0.0000 52073.1378 -109423.3144 299.2650 -161496.4522 -109055.9442 298.9288 -19.4247 7.9054 760610.9799 5.9910 5.9519 PRESSURE: 4204200 -335.797 9.8243 -124.979 9.82455 346.531 74.5489 -124.978 74.5481 77.0295 GPRESSURE: 4204200 -241.99 13.3237 -123.764 58.1252 245.751 49.5099 -117.796 79.8185 185.925 PRESSAVG: 4204200 18.2588 34.0357 -4.67835 34.0357 -41.2376 -0.0806033 -4.67831 -0.0806566 -8.43138 GPRESSAVG: 4204200 17.1807 32.66 -6.14182 35.1474 -39.0205 1.76749 -3.06288 -1.03709 -9.56441 TIMING: 4204200 CPU: 13132.8, 0.00312682/step Wall: 13132.8, 0.00312682/step, 0.691202 hours remaining, 235.101562 MB of memory in use. ENERGY: 4204200 4026.8852 20428.3501 14474.9653 254.1621 -203324.7549 2762.7347 0.0000 0.0000 51945.3866 -109432.2709 298.5309 -161377.6575 -109076.4268 299.2015 29.2547 63.2288 761413.4592 -10.4700 -10.4681 LDB: ============= START OF LOAD BALANCING ============== 13145.3 LDB: ============== END OF LOAD BALANCING =============== 13145.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13145.3 LDB: ============= START OF LOAD BALANCING ============== 13145.6 LDB: Largest compute 7060 load 0.030017 is 15.4% of average load 0.195190 LDB: Average compute 0.004400 is 2.3% of average load 0.195190 LDB: TIME 13145.6 LOAD: AVG 0.19519 MAX 0.217116 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.52 MB LDB: TIME 13145.6 LOAD: AVG 0.19519 MAX 0.217116 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.523 MB LDB: TIME 13145.6 LOAD: AVG 0.19519 MAX 0.217116 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.523 MB LDB: ============== END OF LOAD BALANCING =============== 13145.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13145.6 PRESSURE: 4204400 -141.081 -39.9364 118.136 -39.9357 85.0326 58.6852 118.135 58.6844 -293.811 GPRESSURE: 4204400 -119.541 -7.54476 20.0769 18.2801 75.6515 37.1092 -81.7845 -6.79291 -239.884 PRESSAVG: 4204400 -13.4674 -35.7097 29.9377 -35.7097 -7.15391 4.66153 29.9377 4.66159 4.46678 GPRESSAVG: 4204400 -12.0572 -35.8599 31.1484 -36.2151 -10.2958 3.33753 29.724 7.15455 5.93252 TIMING: 4204400 CPU: 13133.5, 0.003184/step Wall: 13133.5, 0.003184/step, 0.703665 hours remaining, 233.750000 MB of memory in use. ENERGY: 4204400 3991.6687 20300.9230 14486.4979 232.5351 -203355.3639 2818.0924 0.0000 0.0000 52176.8767 -109348.7701 299.8612 -161525.6469 -108989.7678 299.0268 -116.6199 -94.5911 762867.7395 -5.3848 -5.4735 PRESSURE: 4204600 -27.3263 146.547 48.1249 146.547 353.602 -54.0045 48.1246 -54.0051 51.4731 GPRESSURE: 4204600 -29.6462 64.1938 104.366 106.746 436.525 -26.7817 46.5192 -69.173 54.0468 PRESSAVG: 4204600 -49.9901 32.7291 69.42 32.729 23.9444 31.0416 69.42 31.0416 14.1464 GPRESSAVG: 4204600 -51.4424 33.208 70.1995 31.784 26.1394 32.1739 66.9431 27.7147 13.0224 TIMING: 4204600 CPU: 13134.1, 0.00313217/step Wall: 13134.1, 0.00313217/step, 0.692035 hours remaining, 233.750000 MB of memory in use. ENERGY: 4204600 3933.7548 20315.1362 14518.2299 255.3033 -203362.6399 2978.9596 0.0000 0.0000 52019.6923 -109341.5638 298.9579 -161361.2560 -108981.8531 299.4335 125.9162 153.6418 762930.9016 -3.9664 -4.0935 PRESSURE: 4204800 -129.792 1.87301 63.2696 1.87213 -191.929 23.6366 63.2697 23.637 17.8951 GPRESSURE: 4204800 -63.0885 -24.5196 69.5179 -136.228 -105.304 -65.4097 71.5883 150.398 -55.502 PRESSAVG: 4204800 -6.72822 -17.6179 -33.2448 -17.618 21.1965 57.07 -33.2449 57.07 12.2924 GPRESSAVG: 4204800 -7.06234 -17.3844 -32.1485 -18.5047 21.3094 55.2757 -31.5754 58.3428 12.5209 TIMING: 4204800 CPU: 13134.7, 0.00313874/step Wall: 13134.7, 0.00313874/step, 0.693312 hours remaining, 233.750000 MB of memory in use. ENERGY: 4204800 4006.0525 20327.6055 14503.2982 244.7779 -203391.2725 2613.0588 0.0000 0.0000 52329.4702 -109367.0092 300.7382 -161696.4795 -109005.0429 299.0595 -101.2753 -74.6316 761245.0211 8.9202 8.9227 PRESSURE: 4205000 62.4766 275.948 -17.153 275.949 -49.3133 16.0624 -17.1525 16.0611 342.664 GPRESSURE: 4205000 104.664 341.141 19.6873 171.026 85.2771 18.2258 100.295 50.9097 250.633 PRESSAVG: 4205000 53.7431 4.822 -16.9968 4.82201 -28.4927 -0.766911 -16.9968 -0.766851 -1.24827 GPRESSAVG: 4205000 55.6491 6.68706 -16.6847 5.72763 -30.2878 -1.15526 -17.1573 -0.474558 -1.38238 TIMING: 4205000 CPU: 13135.4, 0.003151/step Wall: 13135.4, 0.003151/step, 0.695846 hours remaining, 233.750000 MB of memory in use. ENERGY: 4205000 3973.5448 20381.8211 14446.8734 247.9239 -203654.1344 3130.6928 0.0000 0.0000 51794.5518 -109678.7267 297.6640 -161473.2785 -109321.0613 299.2550 118.6090 146.8582 763813.2043 8.0007 7.9930 PRESSURE: 4205200 -91.7996 137.993 -86.1676 137.992 -52.2638 236.045 -86.1672 236.045 176.104 GPRESSURE: 4205200 -49.5798 166.772 -99.2843 179.348 -64.857 261.868 3.69803 240.351 209.274 PRESSAVG: 4205200 -14.49 -38.7924 6.44263 -38.7924 -12.0309 33.5983 6.44262 33.5983 11.5889 GPRESSAVG: 4205200 -15.2128 -39.3313 4.02669 -39.631 -12.001 34.6933 6.51675 34.0162 12.403 TIMING: 4205200 CPU: 13136, 0.00314726/step Wall: 13136, 0.00314726/step, 0.694844 hours remaining, 233.750000 MB of memory in use. ENERGY: 4205200 3919.1128 20407.3032 14494.2359 238.0144 -203629.1550 2952.0157 0.0000 0.0000 51912.5780 -109705.8950 298.3423 -161618.4730 -109341.1319 298.4867 10.6801 31.6125 762916.7406 -4.9773 -4.9369 PRESSURE: 4205400 214.656 -278.719 -11.4677 -278.72 299.219 -197.654 -11.4677 -197.655 160.196 GPRESSURE: 4205400 208.524 -147.585 87.9739 -233.85 312.9 -201.678 -14.2591 -327.709 245.448 PRESSAVG: 4205400 -75.2296 -24.7188 -11.968 -24.7189 60.5073 -7.91472 -11.968 -7.9147 21.6543 GPRESSAVG: 4205400 -76.1337 -24.3393 -12.0983 -24.1112 60.8415 -7.25849 -10.8468 -8.80473 22.2805 TIMING: 4205400 CPU: 13136.6, 0.00315531/step Wall: 13136.6, 0.00315531/step, 0.696447 hours remaining, 233.750000 MB of memory in use. ENERGY: 4205400 3964.4149 20408.8193 14483.2245 248.4281 -203453.1197 2781.9691 0.0000 0.0000 51879.7671 -109686.4966 298.1537 -161566.2637 -109325.5140 298.2073 224.6901 255.6241 760704.6496 2.3107 2.3295 PRESSURE: 4205600 80.38 259.516 -50.3294 259.516 -235.453 51.4151 -50.3294 51.4151 31.6097 GPRESSURE: 4205600 122.831 268.068 -53.9191 205.096 -223.703 -72.9603 -50.8098 194.5 77.5239 PRESSAVG: 4205600 18.3071 4.05328 -24.4551 4.05324 6.3559 25.3329 -24.4551 25.3329 -11.9626 GPRESSAVG: 4205600 18.9649 4.41639 -22.6433 3.27709 6.02801 24.9851 -24.6771 25.8804 -12.8318 TIMING: 4205600 CPU: 13137.2, 0.00312122/step Wall: 13137.2, 0.00312122/step, 0.688749 hours remaining, 233.750000 MB of memory in use. ENERGY: 4205600 3952.9924 20516.1197 14397.5639 241.8827 -203082.8677 2454.6799 0.0000 0.0000 51931.5786 -109588.0504 298.4515 -161519.6291 -109235.7637 298.2738 -41.1544 -7.7827 759479.8740 4.2335 4.0537 PRESSURE: 4205800 -459.144 58.0201 -221.244 58.0198 -22.2349 -31.4266 -221.245 -31.427 -206.666 GPRESSURE: 4205800 -316.485 47.1035 -134.802 40.7303 -70.9484 10.3417 -196.939 79.5162 -202.234 PRESSAVG: 4205800 -14.98 4.49728 31.067 4.49736 -5.8512 41.993 31.067 41.993 -8.34915 GPRESSAVG: 4205800 -15.5422 2.93801 31.2951 4.32475 -5.50947 41.5225 30.1027 42.5112 -8.26177 TIMING: 4205800 CPU: 13137.9, 0.00313065/step Wall: 13137.9, 0.00313064/step, 0.690655 hours remaining, 233.750000 MB of memory in use. ENERGY: 4205800 4018.5181 20584.4520 14417.4005 232.2426 -203143.6895 2485.5730 0.0000 0.0000 51910.9531 -109494.5501 298.3330 -161405.5032 -109139.9845 298.3945 -229.3485 -196.5558 761951.1088 -9.7268 -9.7711 PRESSURE: 4206000 263.63 -98.4659 57.1198 -98.4653 439.137 -128.202 57.12 -128.202 -38.3198 GPRESSURE: 4206000 328.542 -259.345 24.959 -36.1259 360.883 -151.889 102.027 -263.379 50.8722 PRESSAVG: 4206000 -22.779 -36.0353 -6.31211 -36.0353 8.9994 -3.12262 -6.31209 -3.12261 19.35 GPRESSAVG: 4206000 -21.5857 -37.599 -7.95394 -33.3405 7.28662 -2.10912 -6.30211 -3.53549 19.2852 TIMING: 4206000 CPU: 13138.5, 0.00313088/step Wall: 13138.5, 0.00313088/step, 0.690533 hours remaining, 233.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4206000 4035.3094 20437.8938 14494.4625 251.3496 -203908.9089 3078.7234 0.0000 0.0000 52150.4532 -109460.7170 299.7094 -161611.1702 -109089.0787 298.7994 221.4825 246.7659 759711.9664 1.8568 1.6620 PRESSURE: 4206200 -404.402 48.1574 185.654 48.1581 -276.092 286.517 185.655 286.516 -483.988 GPRESSURE: 4206200 -319.251 21.1343 179.274 -17.2718 -207.726 307.657 254.35 192.856 -551.128 PRESSAVG: 4206200 -0.0448661 -46.776 33.5537 -46.7761 59.0765 40.1293 33.5537 40.1293 -2.6473 GPRESSAVG: 4206200 -0.0288721 -44.0091 36.0935 -50.2183 59.4622 39.5872 32.3433 37.6656 -2.7632 TIMING: 4206200 CPU: 13139.1, 0.00313732/step Wall: 13139.1, 0.00313732/step, 0.691779 hours remaining, 233.750000 MB of memory in use. ENERGY: 4206200 3992.5942 20520.5327 14491.9693 251.0867 -203066.6247 2340.7337 0.0000 0.0000 51946.7153 -109522.9927 298.5385 -161469.7081 -109162.4960 298.8201 -388.1604 -359.3683 761739.0338 18.7948 18.8900 PRESSURE: 4206400 -156.487 148.099 63.6137 148.1 175.924 -227.57 63.614 -227.571 -201.561 GPRESSURE: 4206400 -74.5585 98.2295 56.6247 -17.1811 159.122 -203.048 98.124 -160.347 -184.458 PRESSAVG: 4206400 30.9955 -40.7356 56.7196 -40.7356 36.8616 44.4348 56.7197 44.4348 -15.3994 GPRESSAVG: 4206400 29.3781 -41.3803 55.1426 -39.9387 36.9965 45.0187 57.1233 44.2066 -14.3332 TIMING: 4206400 CPU: 13139.7, 0.00313225/step Wall: 13139.7, 0.00313225/step, 0.690487 hours remaining, 233.750000 MB of memory in use. ENERGY: 4206400 4029.5966 20442.9817 14418.0327 241.0603 -203479.4056 2686.8887 0.0000 0.0000 52182.7062 -109478.1394 299.8947 -161660.8456 -109116.5722 298.7875 -60.7082 -33.2982 763050.9330 17.4859 17.3471 PRESSURE: 4206600 -182.344 -108.869 -159.205 -108.869 -219.116 171.856 -159.205 171.856 -185.942 GPRESSURE: 4206600 -230.29 -166.325 -52.1087 -134.596 -112.701 146.238 -172.878 196.649 -165.433 PRESSAVG: 4206600 -20.4263 -48.183 45.8793 -48.183 28.8252 35.7861 45.8792 35.7861 -8.18241 GPRESSAVG: 4206600 -20.306 -49.4876 46.11 -47.6003 29.1213 35.5571 46.1292 38.4827 -8.41619 TIMING: 4206600 CPU: 13140.4, 0.00313563/step Wall: 13140.4, 0.00313563/step, 0.691058 hours remaining, 233.750000 MB of memory in use. ENERGY: 4206600 3989.9388 20622.7500 14413.8494 253.5759 -202890.2583 2301.5552 0.0000 0.0000 52004.6971 -109303.8920 298.8717 -161308.5891 -108938.3758 298.9997 -195.8009 -169.4748 761667.1333 0.0722 0.1331 PRESSURE: 4206800 -404.337 -213.776 169.394 -213.776 -499.511 322.879 169.394 322.88 -74.6905 GPRESSURE: 4206800 -285.42 -215.304 191.205 -112.589 -552.81 247.634 136.488 269.181 -59.4099 PRESSAVG: 4206800 -32.3569 -83.2455 4.06251 -83.2454 4.4821 68.1486 4.06252 68.1486 -0.715465 GPRESSAVG: 4206800 -31.7524 -83.4654 4.54987 -81.157 3.89003 69.1067 1.38431 66.6276 -0.757379 TIMING: 4206800 CPU: 13141, 0.00312321/step Wall: 13141, 0.00312321/step, 0.688147 hours remaining, 233.750000 MB of memory in use. ENERGY: 4206800 4007.4033 20419.8828 14464.2856 250.9078 -203189.2050 2416.7505 0.0000 0.0000 52219.7238 -109410.2512 300.1075 -161629.9751 -109038.9372 299.1334 -326.1793 -299.2132 762294.6364 -9.5301 -9.5399 PRESSURE: 4207000 -190.049 161.657 1.07251 161.657 -147.329 216.279 1.07249 216.277 -102.599 GPRESSURE: 4207000 -232.253 155.905 13.063 253.786 -54.1682 248.231 43.6347 131.661 -60.2127 PRESSAVG: 4207000 -21.2312 -37.9 76.5456 -37.9 0.597002 12.3218 76.5456 12.3218 6.5825 GPRESSAVG: 4207000 -21.0412 -38.1188 74.871 -40.014 1.07392 10.8026 79.2273 11.6204 5.67771 TIMING: 4207000 CPU: 13141.6, 0.00311423/step Wall: 13141.6, 0.00311423/step, 0.685996 hours remaining, 233.750000 MB of memory in use. ENERGY: 4207000 3918.5067 20491.6100 14454.6753 255.2085 -203366.4145 2615.2255 0.0000 0.0000 51980.1951 -109650.9934 298.7309 -161631.1885 -109286.0338 298.7448 -146.6591 -115.5447 762802.7471 -4.6839 -4.7632 PRESSURE: 4207200 149.092 -243.681 -44.2434 -243.682 -53.514 -28.1894 -44.2433 -28.191 3.98531 GPRESSURE: 4207200 67.4312 -152.517 -51.7924 -157.273 17.2522 -34.6196 13.4498 -24.5063 90.6467 PRESSAVG: 4207200 -34.6003 -21.9418 32.0725 -21.9419 34.9358 5.45114 32.0725 5.4511 -13.3204 GPRESSAVG: 4207200 -35.245 -18.9938 32.8075 -19.944 35.0682 5.76402 31.861 7.10459 -12.8939 TIMING: 4207200 CPU: 13142.2, 0.00311794/step Wall: 13142.2, 0.00311794/step, 0.686641 hours remaining, 233.750000 MB of memory in use. ENERGY: 4207200 3965.7859 20420.4619 14477.8465 241.4324 -203683.0913 2787.2863 0.0000 0.0000 51974.9670 -109815.3112 298.7008 -161790.2782 -109455.5443 298.5114 33.1877 58.4434 762777.7167 -4.3283 -4.3569 PRESSURE: 4207400 -344.327 -53.1009 19.9433 -53.1014 -283.118 289.82 19.9439 289.82 172.324 GPRESSURE: 4207400 -284.45 -78.8694 -26.1996 -94.4454 -276.921 268.085 -120.493 196.38 173.196 PRESSAVG: 4207400 -36.2456 -20.6179 27.6499 -20.6179 16.9356 23.2638 27.6498 23.2637 -11.7961 GPRESSAVG: 4207400 -35.4861 -22.2746 27.885 -21.7974 16.9964 23.9636 27.9341 23.9919 -12.8921 TIMING: 4207400 CPU: 13142.9, 0.00312197/step Wall: 13142.9, 0.00312197/step, 0.687354 hours remaining, 233.750000 MB of memory in use. ENERGY: 4207400 3951.5786 20542.6382 14469.1254 239.0393 -203564.0482 2635.5927 0.0000 0.0000 52037.9182 -109688.1558 299.0626 -161726.0740 -109324.5263 298.0115 -151.7071 -129.3916 763324.8565 -10.3687 -10.4606 PRESSURE: 4207600 146.767 302.996 -19.6728 302.995 285.222 14.3949 -19.6729 14.3952 -184.036 GPRESSURE: 4207600 208.469 255.087 -83.1016 174.845 267.458 3.14661 121.418 84.5828 -163.992 PRESSAVG: 4207600 -27.1791 -0.387885 -24.3048 -0.387847 50.2477 50.4215 -24.3047 50.4215 -2.0891 GPRESSAVG: 4207600 -26.3347 -1.17404 -23.7577 -0.910933 48.8533 50.1054 -24.9633 48.9878 -2.22943 TIMING: 4207600 CPU: 13143.5, 0.0031106/step Wall: 13143.5, 0.0031106/step, 0.684678 hours remaining, 233.750000 MB of memory in use. ENERGY: 4207600 3915.8553 20590.8394 14423.2074 245.4104 -203605.3584 2786.2312 0.0000 0.0000 52017.5968 -109626.2178 298.9458 -161643.8147 -109266.0476 297.9461 82.6511 103.9784 762666.7641 6.9932 6.7631 PRESSURE: 4207800 153.329 224.429 -97.9929 224.429 14.5981 -5.00541 -97.9931 -5.00579 174.911 GPRESSURE: 4207800 139.962 306.531 -43.0639 163.254 34.8154 -102.959 -248.422 -25.1061 240.531 PRESSAVG: 4207800 -24.2461 49.791 -15.4096 49.7911 35.4174 24.4196 -15.4096 24.4195 9.78337 GPRESSAVG: 4207800 -25.3317 50.5484 -15.8034 52.7305 36.5006 25.8962 -13.5963 23.675 10.2986 TIMING: 4207800 CPU: 13144.1, 0.00311266/step Wall: 13144.1, 0.00311266/step, 0.684959 hours remaining, 233.750000 MB of memory in use. ENERGY: 4207800 3913.7090 20619.4736 14483.6597 231.2937 -203236.3976 2672.3001 0.0000 0.0000 51802.6092 -109513.3522 297.7103 -161315.9614 -109160.5079 298.6083 114.2793 138.4362 763339.7015 6.9849 7.1558 PRESSURE: 4208000 -116.789 86.7481 -67.6574 86.7483 244.077 -55.485 -67.6573 -55.4865 -139.701 GPRESSURE: 4208000 -17.5622 113.685 -98.7921 48.0865 234.506 -77.9422 -35.5722 63.0951 -151.544 PRESSAVG: 4208000 -67.9471 13.4722 -19.5922 13.4723 22.1722 -1.26441 -19.5921 -1.26445 6.56022 GPRESSAVG: 4208000 -66.7927 12.6616 -18.3737 11.9315 22.1847 -1.7978 -20.3312 0.0839774 5.30605 TIMING: 4208000 CPU: 13144.7, 0.00312009/step Wall: 13144.7, 0.00312009/step, 0.686419 hours remaining, 233.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4208000 3958.0545 20286.0227 14461.9987 259.9914 -203717.5519 2885.0576 0.0000 0.0000 52047.4431 -109818.9839 299.1174 -161866.4270 -109459.8983 298.3278 -4.1376 21.7998 762681.5804 -13.0715 -13.1007 PRESSURE: 4208200 -409.766 185.086 -78.4758 185.086 -43.4471 -86.2551 -78.4764 -86.2555 -32.7389 GPRESSURE: 4208200 -286.679 155.451 -71.9703 186.347 -126.505 -53.6345 -84.2423 129.124 5.23082 PRESSAVG: 4208200 -59.7697 36.9846 0.267027 36.9847 40.8615 -32.409 0.267053 -32.409 -16.9505 GPRESSAVG: 4208200 -61.2016 38.0754 -0.892798 34.9975 41.7168 -33.4384 -0.735085 -32.7333 -17.1186 TIMING: 4208200 CPU: 13145.4, 0.0031302/step Wall: 13145.4, 0.0031302/step, 0.688471 hours remaining, 233.750000 MB of memory in use. ENERGY: 4208200 3992.3473 20443.8682 14436.4052 239.2693 -203267.0263 2594.1917 0.0000 0.0000 52092.8838 -109468.0609 299.3785 -161560.9447 -109097.6113 298.5446 -161.9840 -135.9842 762775.8721 -11.9529 -12.2011 LDB: ============= START OF LOAD BALANCING ============== 13157.8 LDB: ============== END OF LOAD BALANCING =============== 13157.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13157.8 LDB: ============= START OF LOAD BALANCING ============== 13158.2 LDB: Largest compute 7037 load 0.029000 is 14.9% of average load 0.195200 LDB: Average compute 0.004403 is 2.3% of average load 0.195200 LDB: TIME 13158.2 LOAD: AVG 0.1952 MAX 0.217519 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.117 MB LDB: TIME 13158.2 LOAD: AVG 0.1952 MAX 0.217519 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.141 MB LDB: TIME 13158.2 LOAD: AVG 0.1952 MAX 0.217519 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.141 MB LDB: ============== END OF LOAD BALANCING =============== 13158.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13158.2 PRESSURE: 4208400 -478.07 17.8742 245.842 17.8733 -368.979 -110.409 245.843 -110.409 -156.217 GPRESSURE: 4208400 -383.711 -65.9552 256.828 46.2688 -405.426 38.0385 251.544 -216.41 -123.56 PRESSAVG: 4208400 -52.4951 17.9219 2.60788 17.9219 38.3992 -22.7272 2.60785 -22.7272 11.4787 GPRESSAVG: 4208400 -53.5646 17.3211 1.59379 18.7851 38.0128 -23.7256 2.70305 -21.0512 12.2367 TIMING: 4208400 CPU: 13146, 0.00316939/step Wall: 13146, 0.00316939/step, 0.696913 hours remaining, 234.507812 MB of memory in use. ENERGY: 4208400 3971.9264 20468.2439 14442.4880 245.1650 -203180.6977 2528.6653 0.0000 0.0000 52191.1032 -109333.1059 299.9430 -161524.2091 -108979.5926 299.0238 -334.4220 -304.2324 764005.6763 -0.8724 -1.1050 PRESSURE: 4208600 -141.306 -46.0599 109.932 -46.0598 -264.661 81.3134 109.932 81.313 -211.762 GPRESSURE: 4208600 -116.125 104.573 118.893 -130.032 -250.431 173.768 25.9451 13.6962 -158.343 PRESSAVG: 4208600 -33.525 2.34084 23.8469 2.34084 41.9017 19.068 23.8469 19.0679 -14.8544 GPRESSAVG: 4208600 -31.3214 3.33381 23.9209 4.26762 40.3249 22.78 24.3868 17.1017 -15.3572 TIMING: 4208600 CPU: 13146.6, 0.00311281/step Wall: 13146.6, 0.00311281/step, 0.6843 hours remaining, 234.789062 MB of memory in use. ENERGY: 4208600 4023.3072 20447.9169 14435.6036 223.1439 -203295.7326 2578.7405 0.0000 0.0000 52291.8159 -109295.2046 300.5218 -161587.0205 -108932.0042 299.0457 -205.9098 -174.9664 763057.6852 -2.1593 -2.1179 PRESSURE: 4208800 -16.8297 -85.3991 92.3475 -85.3992 24.6043 -198.586 92.3479 -198.585 -247.296 GPRESSURE: 4208800 -2.83151 -42.2756 71.5183 -79.1219 7.75423 -175.458 112.155 -32.9374 -154.487 PRESSAVG: 4208800 -55.1128 5.26731 -0.818791 5.26733 20.8843 35.495 -0.818776 35.4949 -13.9758 GPRESSAVG: 4208800 -57.1757 5.53632 -0.474908 2.24887 21.6124 32.8836 -1.6845 35.4213 -13.1834 TIMING: 4208800 CPU: 13147.2, 0.00311591/step Wall: 13147.2, 0.00311591/step, 0.684809 hours remaining, 234.789062 MB of memory in use. ENERGY: 4208800 3993.9839 20438.9044 14474.6813 237.6804 -203111.6951 2559.1364 0.0000 0.0000 51963.1559 -109444.1528 298.6330 -161407.3087 -109078.1909 299.0571 -79.8406 -49.8548 763200.1331 -16.0681 -16.2489 PRESSURE: 4209000 413.041 153.421 -120.763 153.421 120.098 -107.036 -120.763 -107.035 -70.3045 GPRESSURE: 4209000 376.216 181.147 -113.559 150.202 161.865 -97.4944 -43.4717 -66.0964 7.21816 PRESSAVG: 4209000 -24.3535 -18.4201 14.2915 -18.4201 43.7853 -14.7917 14.2914 -14.7917 -3.92101 GPRESSAVG: 4209000 -23.6274 -20.2492 15.313 -17.0465 43.7451 -15.4806 14.1005 -14.1538 -4.49048 TIMING: 4209000 CPU: 13147.9, 0.00311863/step Wall: 13147.9, 0.00311863/step, 0.685233 hours remaining, 234.789062 MB of memory in use. ENERGY: 4209000 3975.4526 20490.4628 14431.6132 247.7512 -203498.4690 2751.7026 0.0000 0.0000 52164.2333 -109437.2533 299.7886 -161601.4865 -109072.3071 299.0600 154.2782 181.7664 761506.2458 5.1703 5.2091 PRESSURE: 4209200 -112.957 -67.5146 -136.246 -67.5146 191.265 -5.88551 -136.246 -5.88678 87.5253 GPRESSURE: 4209200 -60.597 -90.5747 -78.6183 -117.344 171.62 -35.7298 32.1507 -8.00009 123.163 PRESSAVG: 4209200 -59.5243 -50.1561 63.4806 -50.1561 21.7322 -54.9894 63.4806 -54.9894 -9.66875 GPRESSAVG: 4209200 -59.869 -49.5039 63.731 -50.1079 21.0795 -54.8472 64.1097 -55.2188 -8.38996 TIMING: 4209200 CPU: 13148.5, 0.0031089/step Wall: 13148.5, 0.0031089/step, 0.682921 hours remaining, 234.789062 MB of memory in use. ENERGY: 4209200 4021.0454 20544.6492 14371.8851 231.6247 -203094.1272 2407.7233 0.0000 0.0000 52147.5462 -109369.6534 299.6927 -161517.1995 -109013.6106 299.2883 55.2779 78.0618 761922.7037 -15.8203 -15.7265 PRESSURE: 4209400 177.839 204.131 -53.4407 204.131 -26.5764 -63.9697 -53.4399 -63.9695 -23.9469 GPRESSURE: 4209400 155.098 160.558 -11.8923 183.314 69.1883 -49.8803 -31.4183 -112.441 -10.3087 PRESSAVG: 4209400 -28.0229 4.27758 40.0455 4.27761 20.4375 -33.6295 40.0454 -33.6295 -2.63314 GPRESSAVG: 4209400 -26.5512 4.18532 39.0784 4.41379 21.1887 -34.7624 42.3769 -32.6418 -4.63671 TIMING: 4209400 CPU: 13149.1, 0.003118/step Wall: 13149.1, 0.003118/step, 0.684748 hours remaining, 234.789062 MB of memory in use. ENERGY: 4209400 3932.4817 20634.4816 14440.9536 238.9004 -203408.3526 2738.8964 0.0000 0.0000 51976.4403 -109446.1986 298.7093 -161422.6388 -109083.1947 299.2991 42.4387 71.3259 761467.6096 -3.4062 -3.3331 PRESSURE: 4209600 -122.44 -22.7991 137.282 -22.8004 185.469 -106.236 137.282 -106.236 -342.105 GPRESSURE: 4209600 -12.9976 -73.7188 179.4 -66.0886 168.645 -72.3351 95.0331 -135.106 -343.227 PRESSAVG: 4209600 -47.2831 -11.2563 28.5575 -11.2563 78.7319 -1.7827 28.5575 -1.78264 24.8738 GPRESSAVG: 4209600 -47.4801 -11.9505 30.3611 -12.0042 77.4037 -0.597941 26.2103 -3.0726 26.5033 TIMING: 4209600 CPU: 13149.7, 0.00310813/step Wall: 13149.7, 0.00310813/step, 0.682407 hours remaining, 234.789062 MB of memory in use. ENERGY: 4209600 3990.7268 20570.5039 14533.5566 248.7343 -203559.8592 2745.8954 0.0000 0.0000 52050.2986 -109420.1436 299.1338 -161470.4422 -109056.3147 298.6941 -93.0256 -62.5265 761852.4204 18.7742 18.8090 PRESSURE: 4209800 -219.206 -104.459 124.924 -104.459 -382.179 124.591 124.924 124.591 203.667 GPRESSURE: 4209800 -174.316 1.63328 59.5716 -37.7409 -279.323 70.1597 -11.3402 158.22 143.555 PRESSAVG: 4209800 -24.472 -74.5079 10.8431 -74.5078 -4.54487 -20.8891 10.843 -20.8891 8.40949 GPRESSAVG: 4209800 -26.8851 -73.4489 9.26417 -72.4494 -0.607191 -21.2884 9.94978 -20.3542 7.28537 TIMING: 4209800 CPU: 13150.4, 0.00310628/step Wall: 13150.4, 0.00310628/step, 0.681828 hours remaining, 234.789062 MB of memory in use. ENERGY: 4209800 3876.2781 20605.0433 14380.7944 243.2238 -203312.2013 2640.4666 0.0000 0.0000 52080.8623 -109485.5329 299.3094 -161566.3951 -109127.0053 298.9373 -132.5725 -103.3612 761228.5778 -6.8691 -6.7356 PRESSURE: 4210000 157.845 -100.022 -21.5202 -100.021 427.846 183.314 -21.5207 183.315 -54.2717 GPRESSURE: 4210000 231.431 -148.16 -92.7882 -145.702 419.311 186.154 -33.1772 173.726 -7.90166 PRESSAVG: 4210000 -3.7054 -25.5562 41.1698 -25.5561 -7.12628 -21.7068 41.1697 -21.7068 2.83796 GPRESSAVG: 4210000 -2.01972 -26.0831 39.6947 -28.406 -9.52011 -20.431 41.6165 -22.2268 3.37663 TIMING: 4210000 CPU: 13151, 0.0031015/step Wall: 13151, 0.0031015/step, 0.680606 hours remaining, 234.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4210000 3954.2956 20609.3614 14354.0862 257.0555 -203468.6061 2747.7688 0.0000 0.0000 52067.8489 -109478.1897 299.2346 -161546.0386 -109119.4604 299.0776 177.1399 214.2801 760990.3432 -2.6646 -2.7211 PRESSURE: 4210200 -353.605 -251.887 -126.143 -251.887 -243.5 218.259 -126.143 218.259 -805.124 GPRESSURE: 4210200 -294.012 -177.416 -70.1466 -272.927 -269.268 228.444 -133.756 197.474 -728.791 PRESSAVG: 4210200 -7.18684 -46.2672 -10.837 -46.2671 39.0894 71.5327 -10.837 71.5326 14.1477 GPRESSAVG: 4210200 -8.60659 -46.2561 -7.37869 -44.8903 39.8118 69.6929 -11.0212 73.7814 14.6738 TIMING: 4210200 CPU: 13151.6, 0.00311023/step Wall: 13151.6, 0.00311023/step, 0.68235 hours remaining, 234.789062 MB of memory in use. ENERGY: 4210200 3964.6359 20460.2589 14495.4106 242.8495 -203094.2713 2197.4613 0.0000 0.0000 52045.7716 -109687.8837 299.1078 -161733.6553 -109319.6958 299.0030 -467.4097 -430.6902 761850.6415 15.3501 15.2930 PRESSURE: 4210400 -191.441 -17.068 212.918 -17.0674 -58.0389 11.9726 212.918 11.9718 -225.142 GPRESSURE: 4210400 -85.182 -86.467 115.19 -72.3574 -26.4952 -9.14353 143.259 -124.923 -233.383 PRESSAVG: 4210400 -14.5607 -70.5867 -18.8506 -70.5866 0.376567 52.8071 -18.8505 52.8071 8.5619 GPRESSAVG: 4210400 -12.2936 -69.5035 -20.4888 -72.177 -1.43623 54.2881 -17.1441 50.5753 8.2369 TIMING: 4210400 CPU: 13152.2, 0.00310173/step Wall: 13152.2, 0.00310173/step, 0.680312 hours remaining, 234.789062 MB of memory in use. ENERGY: 4210400 4029.2869 20565.8961 14476.8174 233.0464 -203292.6340 2520.5379 0.0000 0.0000 51834.4351 -109632.6141 297.8932 -161467.0493 -109269.0163 298.5073 -158.2075 -115.0199 761980.7242 -1.8741 -1.8310 PRESSURE: 4210600 -167.703 -65.7435 -247.654 -65.744 259.14 -127.463 -247.653 -127.462 307.022 GPRESSURE: 4210600 -155.576 -236.861 -194.424 -152.875 359.371 -39.3166 -83.7854 -217.866 277.755 PRESSAVG: 4210600 -15.6151 -32.4237 -4.51984 -32.4236 2.27048 40.5194 -4.51977 40.5193 -3.1466 GPRESSAVG: 4210600 -15.8583 -33.9092 -4.4476 -29.3411 3.35538 41.1078 -5.29227 42.1886 -3.73725 TIMING: 4210600 CPU: 13152.8, 0.00312653/step Wall: 13152.8, 0.00312653/step, 0.685579 hours remaining, 234.789062 MB of memory in use. ENERGY: 4210600 3998.3865 20582.4946 14443.8935 253.9890 -203703.6688 2890.3569 0.0000 0.0000 52082.8477 -109451.7007 299.3208 -161534.5484 -109092.0370 299.0243 132.8199 160.5165 762428.8131 -5.4971 -5.4134 PRESSURE: 4210800 -91.1593 -288.54 -8.58298 -288.539 79.3865 70.624 -8.5828 70.6242 60.6231 GPRESSURE: 4210800 3.20938 -150.058 34.8112 -311.143 82.4233 -39.094 0.345342 -33.9837 69.0405 PRESSAVG: 4210800 22.5121 -17.1 0.843289 -17.1 17.7283 -35.6304 0.843279 -35.6305 2.80999 GPRESSAVG: 4210800 22.4044 -17.1289 0.839119 -19.2656 16.4859 -38.3907 1.44334 -36.4548 3.91451 TIMING: 4210800 CPU: 13153.5, 0.00311519/step Wall: 13153.5, 0.00311519/step, 0.682919 hours remaining, 234.789062 MB of memory in use. ENERGY: 4210800 4047.0711 20452.5528 14473.3918 226.4553 -203674.4018 2901.9169 0.0000 0.0000 52148.7066 -109424.3073 299.6993 -161573.0139 -109059.1024 299.5118 16.2835 51.5577 763186.3616 14.3501 14.2683 PRESSURE: 4211000 142.25 166.205 273.205 166.206 91.5093 73.0901 273.205 73.09 172.272 GPRESSURE: 4211000 45.2616 177.043 206.654 47.7225 216.607 78.1649 254.436 -54.3159 209.48 PRESSAVG: 4211000 -0.0370514 -22.3726 38.1247 -22.3727 66.6986 -14.2441 38.1247 -14.2441 -21.3052 GPRESSAVG: 4211000 -1.63598 -21.7506 37.9278 -21.762 67.9031 -11.8959 38.4469 -13.0444 -21.6653 TIMING: 4211000 CPU: 13154.1, 0.0031285/step Wall: 13154.1, 0.0031285/step, 0.685663 hours remaining, 234.789062 MB of memory in use. ENERGY: 4211000 4038.4263 20496.9415 14402.5292 244.5994 -203814.2531 3101.3884 0.0000 0.0000 52075.9867 -109454.3816 299.2814 -161530.3683 -109091.7065 299.3080 135.3440 157.1162 761323.3141 15.1188 14.8673 PRESSURE: 4211200 44.8373 48.1902 -43.941 48.1893 68.7897 -134.17 -43.9411 -134.168 351.282 GPRESSURE: 4211200 97.137 42.9509 33.3931 12.3125 69.0325 -79.7957 1.01057 -205.88 399.373 PRESSAVG: 4211200 -25.31 66.198 21.5876 66.198 20.3015 -16.6199 21.5876 -16.62 14.1002 GPRESSAVG: 4211200 -25.7946 64.1642 21.095 66.2561 20.7669 -17.55 20.631 -16.9063 14.7171 TIMING: 4211200 CPU: 13154.7, 0.00310063/step Wall: 13154.7, 0.00310062/step, 0.679381 hours remaining, 234.789062 MB of memory in use. ENERGY: 4211200 3932.3658 20444.1580 14521.0906 240.2965 -203607.8441 2910.5950 0.0000 0.0000 52091.2669 -109468.0713 299.3692 -161559.3383 -109112.7096 299.0116 154.9696 188.5141 760688.1675 3.0306 3.2298 PRESSURE: 4211400 -192.471 -158.837 -378.97 -158.837 -180.877 -2.73581 -378.97 -2.73479 161.589 GPRESSURE: 4211400 -141.343 -122.998 -348.63 -123.923 -113.535 -32.3954 -321.589 15.6882 115.875 PRESSAVG: 4211400 -9.65713 1.15971 6.91941 1.15969 20.2649 13.0199 6.91936 13.0198 8.71608 GPRESSAVG: 4211400 -7.80715 2.57311 7.60252 1.0061 19.7124 14.2224 8.85596 12.1905 7.97542 TIMING: 4211400 CPU: 13155.3, 0.00309135/step Wall: 13155.3, 0.00309135/step, 0.677178 hours remaining, 234.789062 MB of memory in use. ENERGY: 4211400 3975.0299 20631.2686 14427.3930 237.3876 -203263.4162 2705.2695 0.0000 0.0000 52089.6335 -109197.4340 299.3598 -161287.0676 -108844.4714 299.4738 -70.5865 -46.3346 761510.2159 6.4413 6.6269 PRESSURE: 4211600 -62.4941 50.9082 44.8547 50.9088 137.671 -55.9977 44.8553 -55.9957 -18.9807 GPRESSURE: 4211600 -85.7791 -21.6531 169.1 73.6769 210.907 5.40748 -35.3033 -100.967 -5.64124 PRESSAVG: 4211600 -16.3 -46.9111 25.9695 -46.9111 46.5685 -25.1831 25.9696 -25.183 -1.90971 GPRESSAVG: 4211600 -16.4285 -48.2083 26.8659 -43.3721 45.7985 -26.206 24.9882 -24.839 -1.18683 TIMING: 4211600 CPU: 13155.9, 0.00310184/step Wall: 13155.9, 0.00310184/step, 0.679303 hours remaining, 234.789062 MB of memory in use. ENERGY: 4211600 3967.6037 20380.1900 14452.6349 220.1772 -203123.6556 2784.7514 0.0000 0.0000 52016.9308 -109301.3674 298.9420 -161318.2982 -108934.6937 298.9172 18.7320 39.8287 760532.6910 9.4529 9.3944 PRESSURE: 4211800 -77.763 96.1146 80.4457 96.115 120.888 255.439 80.4454 255.44 87.2998 GPRESSURE: 4211800 -6.09122 122.121 31.1647 39.5433 110.154 164.076 67.8278 320.225 123.197 PRESSAVG: 4211800 23.8105 -72.2304 11.6572 -72.2304 21.8598 11.6111 11.6572 11.6111 0.355951 GPRESSAVG: 4211800 23.7431 -69.5774 10.2749 -77.069 23.0975 10.3345 12.1785 13.4022 -0.687888 TIMING: 4211800 CPU: 13156.6, 0.00311778/step Wall: 13156.6, 0.00311778/step, 0.682621 hours remaining, 234.789062 MB of memory in use. ENERGY: 4211800 3930.6634 20448.0471 14377.7204 238.9470 -203319.5761 2937.3305 0.0000 0.0000 52019.9510 -109366.9167 298.9594 -161386.8677 -108997.4929 299.1281 43.4748 75.7532 762434.7167 15.3421 15.3843 PRESSURE: 4212000 263.518 -132.429 -331.915 -132.428 -16.7713 -158.503 -331.915 -158.502 32.49 GPRESSURE: 4212000 290.25 -46.9261 -253.726 -146.082 98.6897 -132.966 -266.633 -56.959 -26.6577 PRESSAVG: 4212000 7.64155 -8.53767 2.38866 -8.53763 5.56295 -2.16445 2.38876 -2.1645 7.78668 GPRESSAVG: 4212000 6.74454 -9.25375 3.86322 -8.57194 5.34016 -1.49865 0.537349 -1.5146 9.43264 TIMING: 4212000 CPU: 13157.2, 0.00312527/step Wall: 13157.2, 0.00312527/step, 0.684086 hours remaining, 234.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4212000 3922.6373 20278.2961 14431.4534 231.1663 -203324.8392 2734.7742 0.0000 0.0000 52373.5065 -109353.0055 300.9913 -161726.5120 -108983.5298 299.3163 93.0789 120.7607 760069.3239 6.9971 7.1724 PRESSURE: 4212200 -25.0581 49.1283 -187.929 49.1288 112.777 44.8125 -187.929 44.8122 407.308 GPRESSURE: 4212200 8.98135 33.0868 -216.483 28.251 156.735 59.4117 -97.6303 186.548 427.774 PRESSAVG: 4212200 -16.8167 -21.5025 -15.8136 -21.5026 10.3699 34.3631 -15.8136 34.3631 -5.12856 GPRESSAVG: 4212200 -16.6981 -23.5471 -16.9531 -19.4523 11.5847 35.3877 -13.4542 34.6411 -6.76339 TIMING: 4212200 CPU: 13157.8, 0.00308391/step Wall: 13157.8, 0.00308391/step, 0.674863 hours remaining, 234.789062 MB of memory in use. ENERGY: 4212200 3931.3322 20555.7143 14384.7476 238.7804 -203181.7638 2526.3830 0.0000 0.0000 52081.9979 -109462.8083 299.3160 -161544.8062 -109106.2880 298.8332 165.0092 197.8301 761347.6296 -3.8584 -3.9589 LDB: ============= START OF LOAD BALANCING ============== 13170.3 LDB: ============== END OF LOAD BALANCING =============== 13170.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13170.3 LDB: ============= START OF LOAD BALANCING ============== 13170.6 LDB: Largest compute 7007 load 0.028578 is 14.6% of average load 0.195251 LDB: Average compute 0.004392 is 2.2% of average load 0.195251 LDB: TIME 13170.6 LOAD: AVG 0.195251 MAX 0.213923 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.355 MB LDB: TIME 13170.6 LOAD: AVG 0.195251 MAX 0.213923 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.395 MB LDB: TIME 13170.6 LOAD: AVG 0.195251 MAX 0.213923 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.395 MB LDB: ============== END OF LOAD BALANCING =============== 13170.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13170.6 PRESSURE: 4212400 9.75188 -116.367 264.271 -116.368 -162.949 -50.243 264.271 -50.2433 -187.111 GPRESSURE: 4212400 98.5389 -126.336 223.082 -84.2466 -151.734 -61.7646 174.275 -152.542 -202.432 PRESSAVG: 4212400 37.915 38.419 6.20842 38.419 20.854 -43.6257 6.20845 -43.6258 14.568 GPRESSAVG: 4212400 38.9438 37.4773 3.96229 39.1871 20.1556 -43.3175 5.70105 -46.4485 14.4163 TIMING: 4212400 CPU: 13158.5, 0.0032116/step Wall: 13158.5, 0.00321159/step, 0.702625 hours remaining, 233.750000 MB of memory in use. ENERGY: 4212400 3935.6013 20368.1053 14455.5928 222.8541 -203013.3580 2582.1473 0.0000 0.0000 51878.6193 -109570.4379 298.1471 -161449.0572 -109205.8887 298.9728 -113.4361 -85.2092 761029.5816 24.4456 24.5053 PRESSURE: 4212600 256.332 85.0918 -71.9874 85.0916 572.355 -244.871 -71.9862 -244.871 524.421 GPRESSURE: 4212600 303.419 -19.2101 -49.3907 -48.8312 513.326 -259.444 -131.643 -162.501 605.629 PRESSAVG: 4212600 5.29309 -28.6961 16.1276 -28.696 22.3589 -48.7515 16.1276 -48.7515 -2.83095 GPRESSAVG: 4212600 4.58728 -27.0655 16.9106 -29.8307 21.8645 -50.6209 13.7164 -47.6082 -1.94194 TIMING: 4212600 CPU: 13159.1, 0.003142/step Wall: 13159.1, 0.003142/step, 0.687225 hours remaining, 233.953125 MB of memory in use. ENERGY: 4212600 3878.2377 20485.4634 14373.6158 244.9843 -203309.3367 2729.3458 0.0000 0.0000 52044.6247 -109553.0649 299.1012 -161597.6897 -109189.1747 298.8502 451.0359 474.1248 760278.1700 8.2737 8.1700 PRESSURE: 4212800 -321.011 -1.25205 97.2622 -1.25056 73.4524 -56.558 97.262 -56.5577 -163.697 GPRESSURE: 4212800 -249.918 -41.541 52.5098 66.0245 135.624 -23.7671 256.557 -132.385 -194.549 PRESSAVG: 4212800 -54.8546 -37.7163 41.5686 -37.7163 24.1642 34.8952 41.5687 34.8953 -7.10974 GPRESSAVG: 4212800 -55.2037 -39.1283 42.2398 -35.6625 24.6187 35.5308 42.4758 33.817 -6.82816 TIMING: 4212800 CPU: 13159.7, 0.00312559/step Wall: 13159.7, 0.00312559/step, 0.683461 hours remaining, 233.953125 MB of memory in use. ENERGY: 4212800 4021.7381 20433.5201 14422.8274 241.6151 -203223.7487 2477.8049 0.0000 0.0000 52101.8970 -109524.3461 299.4303 -161626.2432 -109156.8657 299.0558 -137.0852 -102.9477 761549.4929 -12.6000 -12.4711 PRESSURE: 4213000 -78.4364 -173.262 44.3849 -173.261 -32.2132 138.329 44.3847 138.33 201.9 GPRESSURE: 4213000 -47.188 -88.9069 11.1886 -38.0021 15.0183 22.9413 61.0561 158.145 214.469 PRESSAVG: 4213000 -50.0947 -40.2231 13.5527 -40.2231 22.4368 34.237 13.5528 34.237 -1.78966 GPRESSAVG: 4213000 -49.5401 -38.5828 14.3913 -42.2957 20.9506 34.7816 14.1833 34.0782 -0.655917 TIMING: 4213000 CPU: 13160.3, 0.00312743/step Wall: 13160.3, 0.00312743/step, 0.683691 hours remaining, 233.953125 MB of memory in use. ENERGY: 4213000 4028.6855 20261.5080 14404.4111 235.9649 -203147.5807 2816.9529 0.0000 0.0000 51957.4415 -109442.6168 298.6001 -161400.0584 -109086.8801 299.0278 30.4167 60.7663 762025.9381 -9.8158 -9.7485 PRESSURE: 4213200 -52.7912 150.5 -8.16862 150.499 -275.225 177.593 -8.1689 177.594 426.966 GPRESSURE: 4213200 -43.6608 52.162 -11.1153 114.965 -223.516 167.944 -107.53 208.913 447.892 PRESSAVG: 4213200 28.373 -54.0658 10.4846 -54.0658 4.30521 8.91347 10.4846 8.91348 -1.59965 GPRESSAVG: 4213200 27.0092 -55.7366 10.2313 -52.1623 5.43892 9.22205 8.46425 9.67222 -1.71436 TIMING: 4213200 CPU: 13161, 0.00309264/step Wall: 13161, 0.00309264/step, 0.675914 hours remaining, 233.953125 MB of memory in use. ENERGY: 4213200 4013.9579 20594.9031 14415.4318 267.8923 -203346.3172 2851.9352 0.0000 0.0000 51841.9670 -109360.2297 297.9365 -161202.1968 -108997.6276 299.4012 32.9832 60.2385 763349.5659 10.3595 10.2446 PRESSURE: 4213400 -209.945 -205.131 -106.298 -205.13 -276.533 -10.1251 -106.297 -10.1252 -148.069 GPRESSURE: 4213400 -205.695 -169.071 -26.7839 -163.09 -181.197 -111.754 -40.9194 87.4283 -160.309 PRESSAVG: 4213400 10.6553 -7.5385 12.2798 -7.53851 -30.7718 34.6754 12.2798 34.6753 -4.79222 GPRESSAVG: 4213400 11.927 -4.94507 12.6406 -8.10521 -31.4016 35.1538 13.4032 33.7864 -5.73373 TIMING: 4213400 CPU: 13161.6, 0.00310842/step Wall: 13161.6, 0.00310842/step, 0.679189 hours remaining, 233.953125 MB of memory in use. ENERGY: 4213400 4048.9222 20633.8861 14449.1982 229.6802 -203532.5656 2745.3663 0.0000 0.0000 52202.6936 -109222.8191 300.0096 -161425.5127 -108874.9089 299.2419 -211.5156 -182.4003 763007.0277 -8.3029 -8.4028 PRESSURE: 4213600 -214.928 -146.236 -204.11 -146.236 -244.634 -78.374 -204.109 -78.3744 -575.134 GPRESSURE: 4213600 -192.021 -19.869 -233.6 -205.921 -254.21 -64.7817 -25.5887 -132.391 -521.92 PRESSAVG: 4213600 -7.19904 -18.4959 -6.43909 -18.4958 53.7433 -4.85749 -6.43908 -4.85752 13.7805 GPRESSAVG: 4213600 -8.26619 -19.7469 -6.811 -17.3204 54.6546 -4.23062 -7.72409 -4.96788 13.3575 TIMING: 4213600 CPU: 13162.2, 0.00310794/step Wall: 13162.2, 0.00310794/step, 0.678912 hours remaining, 233.953125 MB of memory in use. ENERGY: 4213600 4003.0920 20572.3394 14463.0542 258.3705 -203514.1843 2551.3294 0.0000 0.0000 52287.0374 -109378.9614 300.4943 -161665.9988 -109021.8454 299.8806 -344.8989 -322.7170 762938.5311 20.1082 19.9153 PRESSURE: 4213800 97.073 120.669 -166.705 120.669 23.4549 212.989 -166.704 212.989 -230.52 GPRESSURE: 4213800 153.284 104.361 -139.646 171.936 -54.5227 223.045 -86.8168 228.12 -127.849 PRESSAVG: 4213800 -6.17557 -12.3444 51.714 -12.3445 -4.23763 -16.2057 51.7139 -16.2058 -5.3226 GPRESSAVG: 4213800 -4.32013 -11.9503 50.9722 -11.7361 -6.25823 -14.7206 51.9371 -13.4593 -4.93111 TIMING: 4213800 CPU: 13162.8, 0.00312321/step Wall: 13162.8, 0.00312321/step, 0.682075 hours remaining, 233.953125 MB of memory in use. ENERGY: 4213800 3952.3659 20486.3452 14392.8044 234.5650 -203316.1055 2838.7548 0.0000 0.0000 51731.0923 -109680.1778 297.2993 -161411.2701 -109313.3774 299.0078 -36.6640 -9.6958 762724.0085 -5.2453 -5.1698 PRESSURE: 4214000 31.0333 -110.166 -83.0322 -110.166 -182.399 338.404 -83.0319 338.405 52.1402 GPRESSURE: 4214000 20.4523 -68.0731 -131.558 -258.099 -91.2705 291.217 4.88731 281.266 44.0587 PRESSAVG: 4214000 -56.9138 -19.318 -52.3805 -19.3179 -1.61546 27.8973 -52.3805 27.8973 -23.9626 GPRESSAVG: 4214000 -58.1728 -20.5097 -52.6224 -19.3104 -0.177847 24.8237 -49.7208 27.9694 -24.4846 TIMING: 4214000 CPU: 13163.4, 0.00311216/step Wall: 13163.4, 0.00311216/step, 0.679488 hours remaining, 233.953125 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: 4214000 3975.3272 20627.1446 14441.0084 260.9894 -203421.3236 2640.7248 0.0000 0.0000 51848.8708 -109627.2584 297.9762 -161476.1292 -109275.6792 298.5777 -33.0751 -8.9198 762493.0028 -27.4973 -27.6118 PRESSURE: 4214200 -114.976 -41.085 25.7126 -41.0844 57.1147 -14.1736 25.7126 -14.1725 137.49 GPRESSURE: 4214200 -53.2786 -113.724 16.6032 -62.3352 53.4382 107.149 2.87171 -3.04477 176.412 PRESSAVG: 4214200 89.645 -72.6135 -0.801616 -72.6135 -52.3843 35.718 -0.801611 35.7181 -7.07877 GPRESSAVG: 4214200 88.7829 -72.2336 -1.25121 -73.0994 -52.2315 36.8943 -4.06594 34.8849 -6.1122 TIMING: 4214200 CPU: 13164.1, 0.00310421/step Wall: 13164.1, 0.00310421/step, 0.677579 hours remaining, 233.953125 MB of memory in use. ENERGY: 4214200 4006.6119 20485.1859 14464.8133 249.8273 -203824.9985 2972.4157 0.0000 0.0000 51991.7640 -109654.3804 298.7974 -161646.1444 -109285.7767 298.3413 26.5432 58.8573 762169.7180 10.0606 10.1464 PRESSURE: 4214400 -456.633 -256.583 -165.21 -256.583 -589.832 -80.8983 -165.211 -80.8983 -374.435 GPRESSURE: 4214400 -512.922 -226.4 -271.722 -253.795 -514.061 -28.5567 -121.523 -57.1864 -285.06 PRESSAVG: 4214400 17.0226 -36.8803 -21.1672 -36.8803 -8.37096 19.6921 -21.1672 19.6921 21.9636 GPRESSAVG: 4214400 17.1953 -36.1969 -20.7408 -38.3723 -8.44137 20.1085 -20.3668 20.2714 21.6768 TIMING: 4214400 CPU: 13164.7, 0.00311001/step Wall: 13164.7, 0.00311001/step, 0.678673 hours remaining, 233.953125 MB of memory in use. ENERGY: 4214400 4058.2896 20389.3261 14450.1659 242.6441 -203160.3305 2505.5764 0.0000 0.0000 52191.0087 -109323.3196 299.9424 -161514.3283 -108947.9879 298.7619 -473.6337 -437.3479 763074.5976 10.2051 10.1436 PRESSURE: 4214600 -288.074 121.755 123.627 121.756 -375.762 253.038 123.628 253.039 99.4904 GPRESSURE: 4214600 -243.084 51.8684 172.343 153.746 -303.523 311.792 65.3822 313.426 70.52 PRESSAVG: 4214600 -9.85438 -15.7893 31.0682 -15.7893 8.90195 11.7234 31.0681 11.7234 3.4247 GPRESSAVG: 4214600 -9.40524 -14.5492 31.6306 -15.9388 8.51732 10.667 32.2213 10.5827 3.12383 TIMING: 4214600 CPU: 13165.3, 0.00311372/step Wall: 13165.3, 0.00311372/step, 0.679309 hours remaining, 233.953125 MB of memory in use. ENERGY: 4214600 4124.4896 20443.4728 14350.7816 245.3250 -203326.4326 2684.0096 0.0000 0.0000 52043.7364 -109434.6176 299.0961 -161478.3540 -109074.3697 299.5350 -188.1151 -158.6959 762889.9346 0.8241 0.7453 PRESSURE: 4214800 -19.2677 -9.83041 -12.8825 -9.83118 101.123 -78.9963 -12.8815 -78.9965 -141.028 GPRESSURE: 4214800 39.0343 127.534 21.0943 -1.1235 6.08775 -160.752 -66.6375 -125.342 -23.3747 PRESSAVG: 4214800 -11.817 -35.6277 -38.9806 -35.6277 -0.37093 -19.5648 -38.9806 -19.5648 -1.68264 GPRESSAVG: 4214800 -11.3432 -36.0011 -37.5193 -32.6672 -0.991576 -19.6656 -41.9493 -18.4934 -1.46442 TIMING: 4214800 CPU: 13165.9, 0.00312393/step Wall: 13165.9, 0.00312393/step, 0.681364 hours remaining, 233.953125 MB of memory in use. ENERGY: 4214800 3958.3284 20461.8344 14353.7708 258.9310 -203558.4677 2791.4151 0.0000 0.0000 52198.5910 -109535.5969 299.9860 -161734.1879 -109168.1659 298.4687 -19.7243 7.2491 763275.5227 -4.6235 -4.5997 PRESSURE: 4215000 -230.314 5.61797 -30.3438 5.61759 -572.162 206.804 -30.3431 206.804 -336.881 GPRESSURE: 4215000 -196.008 102.34 -1.25901 -4.39329 -536.717 188.935 159.756 206.098 -317.844 PRESSAVG: 4215000 -39.0476 -21.6222 7.81994 -21.6223 30.6714 -31.2054 7.81994 -31.2054 24.7063 GPRESSAVG: 4215000 -39.802 -20.9631 7.65623 -26.2751 31.6629 -30.144 9.83355 -32.3434 24.8277 TIMING: 4215000 CPU: 13166.6, 0.00312011/step Wall: 13166.6, 0.00312011/step, 0.680357 hours remaining, 233.953125 MB of memory in use. ENERGY: 4215000 3960.4394 20336.8344 14430.2135 246.7038 -202847.4163 2357.1704 0.0000 0.0000 52059.1402 -109456.9146 299.1846 -161516.0547 -109093.8709 298.5032 -379.7857 -350.1895 763862.5146 5.4434 5.5629 PRESSURE: 4215200 211.907 136.032 90.2782 136.032 -62.3951 -24.0787 90.2783 -24.079 212.304 GPRESSURE: 4215200 245.441 154.251 28.0135 98.689 -51.7028 -7.43944 119.456 95.6513 245.046 PRESSAVG: 4215200 9.31488 3.96735 8.12695 3.96729 11.4634 10.6093 8.12697 10.6093 -8.93441 GPRESSAVG: 4215200 9.40247 2.07335 6.24672 7.27926 11.1684 10.141 9.00002 12.2331 -8.60209 TIMING: 4215200 CPU: 13167.2, 0.00310307/step Wall: 13167.2, 0.00310307/step, 0.676469 hours remaining, 233.953125 MB of memory in use. ENERGY: 4215200 4041.4334 20476.8483 14456.6830 237.7466 -203831.1535 3099.0676 0.0000 0.0000 51953.2259 -109566.1486 298.5759 -161519.3745 -109206.0917 299.0497 120.6055 146.2617 761469.8645 3.9480 3.9896 PRESSURE: 4215400 132.789 110.853 -166.643 110.854 18.9687 42.2395 -166.642 42.2409 -435.649 GPRESSURE: 4215400 169.331 75.4513 -193.433 139.745 101.727 131.614 -276.333 -27.016 -465.355 PRESSAVG: 4215400 -37.8057 -27.6903 -27.7265 -27.6903 19.1532 3.74997 -27.7265 3.75002 14.0979 GPRESSAVG: 4215400 -37.8021 -26.7864 -27.0426 -28.3906 20.4263 4.11256 -30.1219 2.84101 12.8475 TIMING: 4215400 CPU: 13167.8, 0.00311668/step Wall: 13167.8, 0.00311668/step, 0.679263 hours remaining, 233.953125 MB of memory in use. ENERGY: 4215400 3948.3435 20542.3080 14484.3346 257.0167 -203404.5811 2540.8036 0.0000 0.0000 51928.9863 -109702.7884 298.4366 -161631.7748 -109346.4643 298.6467 -94.6304 -64.7659 763370.4611 -1.5182 -1.5094 PRESSURE: 4215600 -126.663 -20.2946 4.4079 -20.294 322.23 121.737 4.40827 121.737 413.769 GPRESSURE: 4215600 -107.856 28.3295 33.8631 -47.8033 409.505 68.8595 82.1774 165.176 380.614 PRESSAVG: 4215600 -56.0291 23.5237 -15.9246 23.5237 58.8909 57.2487 -15.9245 57.2487 11.9729 GPRESSAVG: 4215600 -56.7638 22.2269 -13.9717 22.7681 59.7173 56.2914 -16.34 57.9673 12.0379 TIMING: 4215600 CPU: 13168.4, 0.00310696/step Wall: 13168.4, 0.00310696/step, 0.676973 hours remaining, 233.953125 MB of memory in use. ENERGY: 4215600 3971.4432 20515.9445 14418.7254 234.2271 -203757.0381 3094.9863 0.0000 0.0000 51840.1007 -109681.6109 297.9258 -161521.7116 -109325.0636 298.1815 203.1122 227.4208 762638.4405 4.9449 4.9971 PRESSURE: 4215800 -215.039 101.629 -55.9119 101.628 4.84448 -22.3868 -55.9123 -22.3852 -135.04 GPRESSURE: 4215800 -189.684 26.0427 -71.4023 80.9091 63.5565 71.4104 1.76311 21.3426 -151.143 PRESSAVG: 4215800 -39.0137 21.3732 -40.6979 21.3731 29.9423 25.2274 -40.6979 25.2275 9.1945 GPRESSAVG: 4215800 -38.2823 21.0531 -43.809 21.9603 28.6099 25.8886 -38.0508 23.6785 9.01965 TIMING: 4215800 CPU: 13169, 0.003111/step Wall: 13169, 0.003111/step, 0.677679 hours remaining, 233.953125 MB of memory in use. ENERGY: 4215800 3886.0441 20588.2052 14384.1454 248.0206 -203375.7814 2643.5921 0.0000 0.0000 51870.0676 -109755.7064 298.0980 -161625.7740 -109377.4456 298.7220 -115.0784 -92.4234 762840.8153 0.0410 -0.2176 PRESSURE: 4216000 -286.905 -45.2873 -159.158 -45.2874 -246.313 1.71807 -159.158 1.71733 -70.5503 GPRESSURE: 4216000 -282.591 -26.0454 -167.189 -41.5837 -175.398 26.0176 -71.4625 82.7475 -82.3973 PRESSAVG: 4216000 -47.4701 -8.26478 -5.65253 -8.26477 24.3967 -3.3684 -5.65256 -3.36842 -11.3958 GPRESSAVG: 4216000 -48.9479 -6.71077 -2.16564 -9.13177 25.368 -3.71779 -7.01425 -0.834434 -10.3357 TIMING: 4216000 CPU: 13169.7, 0.00310521/step Wall: 13169.7, 0.00310521/step, 0.676245 hours remaining, 233.953125 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: 4216000 4005.4434 20546.1360 14400.7213 245.8070 -203076.6411 2608.3329 0.0000 0.0000 51901.3706 -109368.8298 298.2779 -161270.2004 -108994.5252 298.6950 -201.2561 -180.1288 762330.0596 -11.4897 -11.3052 PRESSURE: 4216200 -162.613 -155.709 -125.08 -155.709 63.3935 48.6127 -125.08 48.6131 -140.738 GPRESSURE: 4216200 -5.28033 23.72 34.0306 -186.246 -54.616 59.6986 -194.201 5.71246 -76.1099 PRESSAVG: 4216200 -12.2659 35.2857 -1.58372 35.2858 22.196 -39.3221 -1.58373 -39.3221 -20.4267 GPRESSAVG: 4216200 -11.3131 36.0786 -3.88693 38.1474 22.4145 -38.3985 0.581769 -39.5509 -21.6323 TIMING: 4216200 CPU: 13170.3, 0.00311047/step Wall: 13170.3, 0.00311047/step, 0.677218 hours remaining, 233.953125 MB of memory in use. ENERGY: 4216200 3968.9257 20582.3418 14401.1957 256.4787 -203350.5635 2636.3803 0.0000 0.0000 51958.5096 -109546.7316 298.6063 -161505.2412 -109187.7300 299.4426 -79.9858 -45.3354 761565.7205 -3.4989 -3.5103 LDB: ============= START OF LOAD BALANCING ============== 13182.8 LDB: ============== END OF LOAD BALANCING =============== 13182.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13182.8 LDB: ============= START OF LOAD BALANCING ============== 13183.1 LDB: Largest compute 7077 load 0.028296 is 14.5% of average load 0.195356 LDB: Average compute 0.004391 is 2.2% of average load 0.195356 LDB: TIME 13183.1 LOAD: AVG 0.195356 MAX 0.215179 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.262 MB LDB: TIME 13183.1 LOAD: AVG 0.195356 MAX 0.215179 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.465 MB LDB: TIME 13183.1 LOAD: AVG 0.195356 MAX 0.215179 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.465 MB LDB: ============== END OF LOAD BALANCING =============== 13183.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13183.1 PRESSURE: 4216400 -42.8072 115.46 -141.835 115.461 119.268 139.127 -141.835 139.126 -200.957 GPRESSURE: 4216400 -17.7249 117.075 -144.268 92.8777 147.018 -0.911368 -5.14509 141.534 -180.092 PRESSAVG: 4216400 12.0973 -6.42927 11.0985 -6.42923 38.0384 14.6656 11.0985 14.6657 17.0492 GPRESSAVG: 4216400 12.1994 -6.81023 12.1516 -8.36027 36.9978 12.3897 10.869 13.4171 17.5223 TIMING: 4216400 CPU: 13170.9, 0.00318078/step Wall: 13170.9, 0.00318078/step, 0.69235 hours remaining, 234.261719 MB of memory in use. ENERGY: 4216400 3986.3335 20475.9360 14431.2416 230.1282 -203553.9552 2886.4629 0.0000 0.0000 51885.2253 -109658.6278 298.1851 -161543.8531 -109295.0967 298.3482 -41.4987 -16.9329 760282.2508 22.3950 22.2398 PRESSURE: 4216600 -54.1244 -1.63062 -134.948 -1.62952 -266.868 231.959 -134.948 231.96 28.8177 GPRESSURE: 4216600 -50.9385 -26.198 -288.172 61.4694 -141.173 218.008 -33.067 262.489 -25.4852 PRESSAVG: 4216600 -30.1384 2.64333 19.3158 2.64336 80.9126 33.0222 19.3157 33.0222 -14.6501 GPRESSAVG: 4216600 -31.0157 0.244225 18.9171 4.22822 82.9221 31.8159 20.5102 33.8008 -15.8878 TIMING: 4216600 CPU: 13171.5, 0.00309535/step Wall: 13171.5, 0.00309535/step, 0.673583 hours remaining, 234.523438 MB of memory in use. ENERGY: 4216600 3997.9258 20459.8286 14358.1631 239.1209 -203388.8714 2703.7842 0.0000 0.0000 51917.8969 -109712.1518 298.3729 -161630.0487 -109355.4918 298.3801 -97.3914 -72.5324 761130.6750 12.0414 12.0062 PRESSURE: 4216800 6.99529 -128.447 75.1349 -128.447 429.645 103.333 75.1343 103.333 -56.4262 GPRESSURE: 4216800 87.5472 -112.716 17.9723 -22.476 433.014 180.203 8.19201 81.9355 -36.9307 PRESSAVG: 4216800 -11.3621 -42.7192 23.4535 -42.7193 53.7036 18.3419 23.4535 18.3419 20.0266 GPRESSAVG: 4216800 -10.67 -39.1679 23.4825 -44.1727 53.2304 21.0825 18.9025 17.9231 20.0576 TIMING: 4216800 CPU: 13172.2, 0.00308578/step Wall: 13172.2, 0.00308578/step, 0.671329 hours remaining, 234.589844 MB of memory in use. ENERGY: 4216800 3980.8839 20502.3561 14437.7891 243.4478 -203584.6754 2767.0536 0.0000 0.0000 51957.4191 -109695.7257 298.6000 -161653.1448 -109334.7189 298.1146 126.7381 161.2101 761880.7678 20.7894 20.8727 PRESSURE: 4217000 -153.944 201.006 -8.31345 201.006 -186.652 -112.728 -8.31284 -112.727 -310.956 GPRESSURE: 4217000 -234.586 106.177 28.3182 190.292 -124.75 -173.952 -42.1985 -115.548 -210.636 PRESSAVG: 4217000 5.58442 -52.9749 -15.5062 -52.975 26.9902 36.8054 -15.5062 36.8053 -14.0218 GPRESSAVG: 4217000 5.08117 -54.3358 -16.6973 -51.0632 26.0433 35.9025 -11.4101 34.8634 -12.9045 TIMING: 4217000 CPU: 13172.8, 0.00311455/step Wall: 13172.8, 0.00311455/step, 0.677414 hours remaining, 234.589844 MB of memory in use. ENERGY: 4217000 4077.8754 20470.9060 14385.9099 253.3866 -203334.7400 2492.1741 0.0000 0.0000 51974.3282 -109680.1598 298.6972 -161654.4879 -109314.6440 298.6619 -217.1839 -189.9907 761596.4612 6.1843 6.0733 PRESSURE: 4217200 -168.136 -137.459 48.82 -137.459 -71.61 8.0089 48.8196 8.00858 -32.5599 GPRESSURE: 4217200 -99.0224 -66.6298 92.3012 -89.2796 -116.46 -127.119 27.5972 20.9728 46.196 PRESSAVG: 4217200 53.4234 -19.7689 10.8206 -19.7689 -12.6105 -30.0732 10.8206 -30.0733 -14.0514 GPRESSAVG: 4217200 53.2672 -18.728 11.6664 -21.333 -12.3712 -30.3211 8.98929 -30.0462 -13.8652 TIMING: 4217200 CPU: 13173.4, 0.00310243/step Wall: 13173.4, 0.00310243/step, 0.674606 hours remaining, 234.589844 MB of memory in use. ENERGY: 4217200 4031.6763 20767.3424 14408.6435 242.2404 -203167.5682 2528.4689 0.0000 0.0000 51826.2857 -109362.9110 297.8464 -161189.1967 -109002.4643 298.8942 -90.7685 -56.4290 762685.0630 8.9205 9.0103 PRESSURE: 4217400 -501.599 132.117 -108.152 132.118 33.6676 66.6114 -108.151 66.61 31.8721 GPRESSURE: 4217400 -357.468 81.678 -136.92 57.6624 0.34225 10.3679 -15.2119 64.3745 18.4424 PRESSAVG: 4217400 -18.0003 -24.571 22.7665 -24.5709 0.286301 -24.3369 22.7665 -24.3369 -6.73054 GPRESSAVG: 4217400 -17.0214 -25.7147 23.4845 -25.4722 -0.248038 -24.0064 22.4293 -21.5469 -7.76026 TIMING: 4217400 CPU: 13174, 0.00312333/step Wall: 13174, 0.00312333/step, 0.678977 hours remaining, 234.589844 MB of memory in use. ENERGY: 4217400 4072.9701 20637.1589 14412.5343 238.1786 -203727.1943 2995.3069 0.0000 0.0000 51973.1399 -109397.9056 298.6903 -161371.0455 -109040.5730 298.9922 -145.3530 -112.8943 761117.2765 -8.1482 -8.3432 PRESSURE: 4217600 -172.361 43.8157 26.7588 43.8155 155.146 -188.082 26.7599 -188.082 224.275 GPRESSURE: 4217600 -155.465 -94.9271 29.5408 18.2056 203.532 -201.056 254.923 -202.361 236.953 PRESSAVG: 4217600 -49.1644 -16.1653 -10.4037 -16.1653 87.3703 -5.74127 -10.4037 -5.74125 -17.9896 GPRESSAVG: 4217600 -50.0762 -15.3469 -9.44306 -15.5841 87.381 -7.17937 -9.27138 -5.95314 -17.3696 TIMING: 4217600 CPU: 13174.7, 0.00310934/step Wall: 13174.7, 0.00310934/step, 0.675764 hours remaining, 234.589844 MB of memory in use. ENERGY: 4217600 4026.0409 20623.5279 14456.9735 245.8390 -203734.0293 2588.6094 0.0000 0.0000 52099.4857 -109693.5529 299.4165 -161793.0386 -109328.4760 299.0682 69.0202 95.0069 760007.1987 6.7388 6.6451 PRESSURE: 4217800 51.4601 -25.685 171.433 -25.6847 -81.2224 80.504 171.433 80.5046 321.779 GPRESSURE: 4217800 85.4761 -37.7544 183.704 -12.3432 -49.4693 30.5774 225.682 -10.1906 342.617 PRESSAVG: 4217800 20.1979 0.444681 41.3515 0.444655 -6.34614 28.5789 41.3515 28.5789 5.13244 GPRESSAVG: 4217800 19.975 -1.34542 40.9761 1.43268 -7.24537 29.2827 41.4188 25.808 6.14362 TIMING: 4217800 CPU: 13175.3, 0.00311638/step Wall: 13175.3, 0.00311638/step, 0.67712 hours remaining, 234.589844 MB of memory in use. ENERGY: 4217800 3950.2551 20519.9460 14413.8411 229.4749 -203411.9491 2797.1032 0.0000 0.0000 51885.9978 -109615.3310 298.1895 -161501.3289 -109247.1837 298.3336 97.3387 126.2081 763165.8729 6.3281 6.2911 PRESSURE: 4218000 -400.605 -94.4463 135.842 -94.4462 -308.19 107.969 135.842 107.968 -340.397 GPRESSURE: 4218000 -366.349 -28.128 83.3017 -124.382 -282.954 102.15 192.985 153.997 -309.248 PRESSAVG: 4218000 -68.3026 -43.4788 51.1833 -43.4788 44.823 50.9634 51.1833 50.9634 -32.8378 GPRESSAVG: 4218000 -67.9531 -41.9481 50.0013 -45.3563 46.0766 49.2885 53.3844 52.1809 -33.7568 TIMING: 4218000 CPU: 13175.9, 0.00310166/step Wall: 13175.9, 0.00310166/step, 0.67375 hours remaining, 234.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4218000 4019.6627 20438.8970 14445.6326 240.7711 -203210.5133 2527.4623 0.0000 0.0000 51746.1740 -109791.9134 297.3860 -161538.0875 -109423.6998 298.2117 -349.7308 -319.5169 764433.1388 -18.7725 -18.5444 PRESSURE: 4218200 -200.765 198.33 243.88 198.33 414.291 -67.999 243.881 -67.9998 -39.5748 GPRESSURE: 4218200 -99.74 144.375 168.513 107.643 337.999 31.7612 222.679 -229.641 47.7618 PRESSAVG: 4218200 -82.629 -38.9632 70.6564 -38.9632 82.0383 25.3229 70.6564 25.3229 16.274 GPRESSAVG: 4218200 -82.088 -41.4162 70.8557 -38.492 81.6192 27.361 68.7688 25.2938 16.2396 TIMING: 4218200 CPU: 13176.5, 0.0031067/step Wall: 13176.5, 0.0031067/step, 0.674673 hours remaining, 234.589844 MB of memory in use. ENERGY: 4218200 3907.6635 20434.6234 14496.7571 282.2207 -203367.9396 2763.4307 0.0000 0.0000 52005.7548 -109477.4893 298.8778 -161483.2441 -109101.1589 298.1247 57.9838 95.3403 762893.5056 5.2278 5.2569 PRESSURE: 4218400 -61.6574 -79.3078 47.1349 -79.3076 114.368 198.856 47.1344 198.856 40.4618 GPRESSURE: 4218400 44.1866 -5.60038 97.3208 -116.386 87.4482 178.267 17.4889 113.257 37.2237 PRESSAVG: 4218400 -39.3132 -16.8084 55.1119 -16.8084 57.7463 13.3824 55.1119 13.3824 1.22264 GPRESSAVG: 4218400 -39.2001 -16.5287 55.7778 -16.8018 57.2164 13.182 53.6079 14.691 1.34034 TIMING: 4218400 CPU: 13177.1, 0.00311111/step Wall: 13177.1, 0.00311111/step, 0.675457 hours remaining, 234.589844 MB of memory in use. ENERGY: 4218400 4044.1869 20474.7030 14533.3373 256.3541 -203331.9503 2308.3090 0.0000 0.0000 52189.2384 -109525.8215 299.9323 -161715.0599 -109165.5213 299.0575 31.0573 56.2861 762133.1815 6.5519 6.4522 PRESSURE: 4218600 -247.008 -145.444 -180.178 -145.445 -103.015 123.317 -180.178 123.318 -458.946 GPRESSURE: 4218600 -297.405 -78.0317 -206.676 -144.011 -53.4122 153.921 -66.9815 115.691 -359.219 PRESSAVG: 4218600 -35.7844 -16.0821 -38.7635 -16.0821 41.7577 14.8596 -38.7635 14.8595 -0.730819 GPRESSAVG: 4218600 -37.4891 -15.8476 -40.0615 -15.7093 43.4925 16.4846 -37.208 13.6106 -1.07075 TIMING: 4218600 CPU: 13177.8, 0.00310502/step Wall: 13177.8, 0.00310502/step, 0.673962 hours remaining, 234.589844 MB of memory in use. ENERGY: 4218600 4099.4210 20571.9451 14442.5627 240.3820 -203633.4178 2538.9550 0.0000 0.0000 52098.9917 -109641.1602 299.4136 -161740.1519 -109280.7978 299.2970 -269.6563 -236.6790 762103.8771 1.7475 1.6442 PRESSURE: 4218800 -139.288 -129.106 -37.4542 -129.106 -0.0585044 -10.034 -37.4541 -10.0353 -413.449 GPRESSURE: 4218800 -76.2236 -253.529 9.44248 -77.5463 -22.2102 -0.570123 -52.186 -12.9945 -357.606 PRESSAVG: 4218800 -50.4266 -35.5767 -44.6253 -35.5767 62.2301 3.84695 -44.6253 3.847 21.2333 GPRESSAVG: 4218800 -48.5636 -35.1561 -44.2516 -36.1093 61.1238 1.96658 -43.5228 4.47938 21.3438 TIMING: 4218800 CPU: 13178.4, 0.00312549/step Wall: 13178.4, 0.00312549/step, 0.678232 hours remaining, 234.589844 MB of memory in use. ENERGY: 4218800 4047.2214 20419.2423 14452.5551 242.2673 -203073.4351 2362.8662 0.0000 0.0000 51905.9997 -109643.2831 298.3045 -161549.2828 -109278.0752 298.5537 -184.2653 -152.0133 762557.3866 11.0123 11.3013 PRESSURE: 4219000 181.514 6.78563 -135.685 6.7862 -49.9029 4.82851 -135.685 4.82848 16.1508 GPRESSURE: 4219000 171.063 29.385 -100.214 -104.159 -26.1649 62.5583 -201.531 102.196 68.5957 PRESSAVG: 4219000 11.7879 9.06105 -92.695 9.0611 30.9921 -11.4958 -92.6951 -11.4958 19.4679 GPRESSAVG: 4219000 11.3999 9.21105 -91.7701 9.18686 30.3725 -11.5708 -94.4961 -13.6802 19.9804 TIMING: 4219000 CPU: 13179, 0.00311751/step Wall: 13179, 0.00311751/step, 0.676326 hours remaining, 234.589844 MB of memory in use. ENERGY: 4219000 4016.3741 20378.6804 14448.6456 240.2851 -203603.5995 2809.3219 0.0000 0.0000 51994.3912 -109715.9011 298.8125 -161710.2923 -109342.9092 298.3696 49.2541 71.1645 760111.9963 20.7493 20.5843 PRESSURE: 4219200 -65.6226 -75.8876 -145.622 -75.8872 -59.4651 -63.1242 -145.622 -63.1249 -441.943 GPRESSURE: 4219200 -98.831 18.1062 -64.4609 -106.658 4.56125 -66.8881 -291.74 81.3007 -386.318 PRESSAVG: 4219200 -23.8969 -33.381 -92.157 -33.381 3.20838 38.3084 -92.157 38.3084 -9.68461 GPRESSAVG: 4219200 -24.1628 -32.9677 -92.177 -32.5301 2.83221 37.9091 -90.9526 41.4988 -9.06552 TIMING: 4219200 CPU: 13179.6, 0.00311875/step Wall: 13179.6, 0.00311875/step, 0.676421 hours remaining, 234.589844 MB of memory in use. ENERGY: 4219200 4023.9559 20471.2728 14380.8502 254.9815 -203207.3198 2571.9703 0.0000 0.0000 51810.3405 -109693.9485 297.7547 -161504.2890 -109326.1886 298.1727 -189.0102 -160.1958 761755.8065 -10.1244 -10.1320 PRESSURE: 4219400 -451.672 -299.03 79.6656 -299.03 -141.373 435.605 79.6654 435.605 -165.74 GPRESSURE: 4219400 -401.472 -260.284 -92.7375 -243.922 -76.3039 360.07 91.5985 360.29 -184.381 PRESSAVG: 4219400 -12.1409 -20.722 -67.3028 -20.7221 7.19317 26.0677 -67.3028 26.0677 -6.14391 GPRESSAVG: 4219400 -12.8218 -21.2233 -67.5715 -19.7574 8.25103 25.4357 -69.2505 27.7859 -6.23135 TIMING: 4219400 CPU: 13180.3, 0.00311505/step Wall: 13180.3, 0.00311505/step, 0.675447 hours remaining, 234.589844 MB of memory in use. ENERGY: 4219400 3972.6528 20694.2859 14405.8143 253.4856 -203348.1042 2768.7015 0.0000 0.0000 51666.1945 -109586.9697 296.9263 -161253.1642 -109234.3873 297.9901 -252.9284 -220.7189 761317.7619 -3.6972 -3.6007 PRESSURE: 4219600 -254.274 110.109 -116.821 110.11 -211.813 98.4936 -116.821 98.4938 281.802 GPRESSURE: 4219600 -294.137 -40.8518 -189.163 -38.8246 -29.0934 52.1401 26.8504 128.072 219.141 PRESSAVG: 4219600 7.25755 -26.1972 -20.8067 -26.1972 -3.82345 24.7561 -20.8067 24.7561 -8.39822 GPRESSAVG: 4219600 8.10629 -25.7814 -19.5247 -29.064 -3.6713 25.7447 -21.117 23.3603 -9.42905 TIMING: 4219600 CPU: 13180.9, 0.00311663/step Wall: 13180.9, 0.00311662/step, 0.675615 hours remaining, 234.589844 MB of memory in use. ENERGY: 4219600 3957.9385 20558.6410 14390.0718 261.5817 -203584.7363 2922.3731 0.0000 0.0000 51861.6724 -109632.4578 298.0497 -161494.1302 -109277.4886 298.4772 -61.4284 -34.6966 763013.2918 -1.6547 -1.6647 PRESSURE: 4219800 5.13505 129.962 -72.2902 129.962 -16.2357 -80.973 -72.2905 -80.9733 -58.1657 GPRESSURE: 4219800 74.0071 238.554 11.4644 115.113 -14.0894 -104.529 -88.7252 -142.34 -58.4934 PRESSAVG: 4219800 -48.617 6.85183 -62.5413 6.85184 21.0701 7.70277 -62.5413 7.70275 32.489 GPRESSAVG: 4219800 -48.1975 6.95589 -63.7887 9.8938 21.3169 7.56815 -63.6594 4.44819 31.5758 TIMING: 4219800 CPU: 13181.5, 0.00311723/step Wall: 13181.5, 0.00311723/step, 0.675573 hours remaining, 234.589844 MB of memory in use. ENERGY: 4219800 4023.9482 20582.5965 14344.1835 254.8191 -203667.5785 2806.3426 0.0000 0.0000 52011.5994 -109644.0892 298.9114 -161655.6886 -109281.4069 298.3802 -23.0888 0.4748 761813.6063 1.6474 1.5651 PRESSURE: 4220000 -27.5386 -147.006 250.306 -147.006 -28.0843 96.747 250.307 96.748 -4.83661 GPRESSURE: 4220000 32.8655 -233.04 169.058 -168.141 -38.5104 101.616 132.215 57.7651 35.0701 PRESSAVG: 4220000 -33.9919 -32.382 23.0657 -32.382 28.9609 17.9834 23.0657 17.9833 -7.77729 GPRESSAVG: 4220000 -35.5658 -34.0422 22.8975 -33.5178 28.4845 20.3454 26.5178 18.7842 -5.87812 TIMING: 4220000 CPU: 13182.1, 0.00310611/step Wall: 13182.1, 0.00310611/step, 0.672991 hours remaining, 234.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4220000 4012.8567 20534.0482 14429.7162 252.8871 -203356.0059 2701.7111 0.0000 0.0000 51972.5101 -109452.2764 298.6867 -161424.7865 -109078.5084 298.9332 -20.1532 9.8084 762273.0575 -4.2694 -4.3198 PRESSURE: 4220200 -73.6198 139.024 193.835 139.022 -190.198 18.9772 193.835 18.9768 -15.9456 GPRESSURE: 4220200 -45.5856 235.337 286.906 222.318 -94.6479 26.1893 142.202 50.2145 -41.5333 PRESSAVG: 4220200 -15.794 -35.9161 -13.2675 -35.9161 49.8628 12.5621 -13.2674 12.5621 -2.64809 GPRESSAVG: 4220200 -16.0258 -32.779 -11.8703 -34.3943 51.1985 11.5878 -14.8005 13.3239 -3.8205 TIMING: 4220200 CPU: 13182.7, 0.0031084/step Wall: 13182.7, 0.0031084/step, 0.673313 hours remaining, 234.589844 MB of memory in use. ENERGY: 4220200 3962.0422 20764.2830 14389.9286 235.2112 -203349.0314 2731.7041 0.0000 0.0000 51999.0081 -109266.8542 298.8390 -161265.8623 -108909.1297 299.0864 -93.2546 -60.5889 762786.4713 10.4736 10.4507 LDB: ============= START OF LOAD BALANCING ============== 13195.2 LDB: ============== END OF LOAD BALANCING =============== 13195.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13195.2 LDB: ============= START OF LOAD BALANCING ============== 13195.5 LDB: Largest compute 7037 load 0.028280 is 14.5% of average load 0.195269 LDB: Average compute 0.004407 is 2.3% of average load 0.195269 LDB: TIME 13195.5 LOAD: AVG 0.195269 MAX 0.215008 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.293 MB LDB: TIME 13195.5 LOAD: AVG 0.195269 MAX 0.215008 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.359 MB LDB: TIME 13195.5 LOAD: AVG 0.195269 MAX 0.215008 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.359 MB LDB: ============== END OF LOAD BALANCING =============== 13195.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13195.5 PRESSURE: 4220400 70.568 -31.6943 19.2012 -31.6945 312.211 135.877 19.2013 135.877 337.327 GPRESSURE: 4220400 185.637 -69.7655 53.2513 25.1978 280.907 192.942 146.105 120.931 311.831 PRESSAVG: 4220400 -51.7338 12.8044 -40.5998 12.8044 72.5971 0.856142 -40.5998 0.85607 11.7084 GPRESSAVG: 4220400 -51.0809 9.03053 -44.3077 11.4322 72.0498 -1.11531 -38.0717 1.00873 11.5431 TIMING: 4220400 CPU: 13183.4, 0.00318949/step Wall: 13183.4, 0.00318948/step, 0.690701 hours remaining, 234.964844 MB of memory in use. ENERGY: 4220400 4061.2530 20465.3773 14480.7145 266.3714 -203664.5982 3023.7112 0.0000 0.0000 52267.2418 -109099.9290 300.3806 -161367.1708 -108730.2408 299.6173 240.0355 259.4583 763341.4398 10.8573 10.8373 PRESSURE: 4220600 89.4211 223.449 73.5168 223.449 151.82 -35.832 73.5172 -35.8323 443.605 GPRESSURE: 4220600 75.047 317.395 40.9153 252.045 249.601 -68.9101 -59.8496 60.2368 453.033 PRESSAVG: 4220600 -44.9393 -1.29991 -19.7233 -1.29986 69.978 -24.6125 -19.7232 -24.6124 11.9981 GPRESSAVG: 4220600 -45.8676 0.439284 -18.8013 -1.83109 69.678 -24.5359 -21.9874 -25.063 12.9749 TIMING: 4220600 CPU: 13184, 0.00311017/step Wall: 13184, 0.00311017/step, 0.673351 hours remaining, 235.093750 MB of memory in use. ENERGY: 4220600 3946.6685 20560.2741 14444.7513 242.6226 -203465.2249 2957.1909 0.0000 0.0000 52167.2270 -109146.4905 299.8058 -161313.7175 -108767.2630 299.4240 228.2821 259.2271 764335.9858 12.3456 12.2617 PRESSURE: 4220800 29.5995 -56.431 55.1306 -56.4307 -28.7466 132.878 55.1302 132.877 -296.895 GPRESSURE: 4220800 65.16 -55.5244 98.0921 -136.593 5.8999 146.575 10.0327 -20.4101 -270.23 PRESSAVG: 4220800 -47.1143 17.2031 -9.56799 17.2031 42.1078 81.1618 -9.56797 81.1617 -9.21455 GPRESSAVG: 4220800 -46.0155 16.8249 -7.656 18.7277 41.6687 82.3557 -10.8872 80.0139 -9.40112 TIMING: 4220800 CPU: 13184.6, 0.00310109/step Wall: 13184.6, 0.00310109/step, 0.671214 hours remaining, 235.160156 MB of memory in use. ENERGY: 4220800 3993.2381 20630.6712 14456.3024 236.2955 -202985.2761 2606.1580 0.0000 0.0000 52354.8497 -108707.7611 300.8840 -161062.6108 -108345.6861 299.9803 -98.6807 -66.3900 764012.7490 -4.7403 -4.5827 PRESSURE: 4221000 -46.8156 155.923 35.6205 155.923 -154.854 -80.047 35.6208 -80.0477 222.822 GPRESSURE: 4221000 -47.4244 207.489 6.36563 75.7327 -76.1257 -28.8283 67.3612 92.6284 230.335 PRESSAVG: 4221000 -87.7358 30.9001 -17.0691 30.9002 94.8344 4.60724 -17.069 4.60725 -22.2544 GPRESSAVG: 4221000 -87.8804 30.6438 -17.6004 31.4164 95.9955 4.48575 -16.35 6.76421 -22.8771 TIMING: 4221000 CPU: 13185.3, 0.00312375/step Wall: 13185.3, 0.00312375/step, 0.675945 hours remaining, 235.226562 MB of memory in use. ENERGY: 4221000 4038.4339 20659.2611 14468.3024 268.6022 -203000.4939 2843.0569 0.0000 0.0000 52015.3399 -108707.4976 298.9329 -160722.8375 -108343.6426 300.4051 7.0507 35.5949 764889.7181 -5.0520 -4.9207 PRESSURE: 4221200 -195.719 12.7475 -140.314 12.7475 -178.467 282.758 -140.314 282.759 -255.784 GPRESSURE: 4221200 -176.394 -40.0115 -178.37 42.7956 -190.074 304.729 -114.107 251.878 -171.808 PRESSAVG: 4221200 -90.2543 32.9424 -37.5512 32.9424 80.3405 17.1036 -37.5512 17.1037 10.7831 GPRESSAVG: 4221200 -91.3928 33.2411 -37.7396 30.8855 80.9179 15.6741 -38.2782 17.0713 11.6331 TIMING: 4221200 CPU: 13185.9, 0.00312007/step Wall: 13185.9, 0.00312006/step, 0.674974 hours remaining, 235.226562 MB of memory in use. ENERGY: 4221200 4033.9375 20655.4509 14464.9573 251.8905 -203010.6950 2602.5234 0.0000 0.0000 52201.0056 -108800.9297 299.9999 -161001.9353 -108447.8523 300.1814 -209.9899 -179.4255 762732.5783 0.2898 0.3861 PRESSURE: 4221400 -328.506 102.111 -191.305 102.11 -318.573 -109.455 -191.305 -109.456 504.163 GPRESSURE: 4221400 -233.355 30.9204 -192.274 167.504 -338.343 -3.97942 -187.752 -135.765 504.38 PRESSAVG: 4221400 -74.5125 13.5632 -53.9098 13.5632 77.1533 16.4296 -53.9098 16.4296 -5.65101 GPRESSAVG: 4221400 -74.2931 14.1403 -53.7981 13.7952 77.3588 17.475 -52.3817 16.1851 -6.17402 TIMING: 4221400 CPU: 13186.5, 0.00311943/step Wall: 13186.5, 0.00311943/step, 0.674664 hours remaining, 235.226562 MB of memory in use. ENERGY: 4221400 3960.6750 20530.4693 14505.4052 247.9285 -202823.7564 2582.4463 0.0000 0.0000 52023.7638 -108973.0683 298.9813 -160996.8321 -108613.4324 299.8945 -47.6386 -22.4395 765976.5584 -1.0034 -1.0361 PRESSURE: 4221600 10.6979 -4.23142 18.2333 -4.23154 310.839 -147.341 18.2322 -147.341 272.177 GPRESSURE: 4221600 129.845 45.6499 92.5308 -61.3823 361.758 -109.266 115.634 -171.423 187.006 PRESSAVG: 4221600 -30.3672 -8.42781 20.776 -8.42783 45.5684 31.1238 20.7759 31.1238 -12.3481 GPRESSAVG: 4221600 -29.6677 -10.1909 20.5551 -8.65108 44.7705 32.2141 19.6915 30.8806 -12.6941 TIMING: 4221600 CPU: 13187.1, 0.00311128/step Wall: 13187.1, 0.00311128/step, 0.672729 hours remaining, 235.226562 MB of memory in use. ENERGY: 4221600 3940.3391 20542.0310 14461.3642 259.7408 -203553.1959 3106.1631 0.0000 0.0000 52349.4264 -108894.1313 300.8529 -161243.5577 -108523.8896 299.7554 197.9045 226.2032 763525.8646 0.9511 0.8029 PRESSURE: 4221800 -35.5265 -160.793 194.181 -160.793 75.4962 -95.7308 194.181 -95.7318 -24.9894 GPRESSURE: 4221800 11.5205 -77.3415 270.477 -124.504 160.635 -100.057 15.9748 -9.14533 -52.767 PRESSAVG: 4221800 -27.0576 4.01719 -4.94402 4.0172 35.47 -30.6312 -4.94405 -30.6312 19.456 GPRESSAVG: 4221800 -27.4721 4.58888 -4.22163 3.68504 35.6312 -31.1189 -6.75838 -30.626 19.3416 TIMING: 4221800 CPU: 13187.7, 0.00311618/step Wall: 13187.7, 0.00311618/step, 0.673614 hours remaining, 235.226562 MB of memory in use. ENERGY: 4221800 4018.9827 20531.9851 14480.8867 256.3649 -203009.8645 2825.1465 0.0000 0.0000 52237.5324 -108658.9663 300.2098 -160896.4987 -108292.2581 299.9867 4.9935 39.7963 764878.5888 9.2895 9.1669 PRESSURE: 4222000 -134.65 45.3008 -45.5126 45.3011 -35.1115 -190.214 -45.5132 -190.214 285.311 GPRESSURE: 4222000 -113.21 41.89 -157.197 118.236 -22.565 -264.419 80.2512 -47.1908 329.82 PRESSAVG: 4222000 -32.4393 -19.0132 -54.6308 -19.0132 17.2435 -2.4147 -54.6308 -2.4147 -16.6954 GPRESSAVG: 4222000 -33.3109 -19.7131 -55.6241 -19.3683 17.4751 -2.44042 -52.5838 -3.82336 -15.8663 TIMING: 4222000 CPU: 13188.4, 0.00312008/step Wall: 13188.4, 0.00312008/step, 0.674284 hours remaining, 235.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4222000 4028.3607 20551.9690 14485.9548 232.1054 -203206.4431 2891.3299 0.0000 0.0000 52070.8285 -108945.8949 299.2518 -161016.7234 -108580.0529 299.5943 38.5164 64.6814 764076.3270 -10.6304 -10.5674 PRESSURE: 4222200 -156.809 134.718 -221.6 134.719 87.74 -28.6123 -221.6 -28.613 -217.01 GPRESSURE: 4222200 -74.8071 152.943 -204.466 157.326 92.8545 5.06206 -91.7297 -96.8433 -214.503 PRESSAVG: 4222200 -20.2432 -1.00411 -1.25601 -1.00408 41.5471 30.5677 -1.25597 30.5677 4.45562 GPRESSAVG: 4222200 -19.6415 -1.76798 -2.47537 0.726122 41.105 30.7444 -0.464667 32.8629 4.67056 TIMING: 4222200 CPU: 13189, 0.00311936/step Wall: 13189, 0.00311936/step, 0.673955 hours remaining, 235.226562 MB of memory in use. ENERGY: 4222200 4000.2084 20582.6555 14424.8822 243.4048 -202906.2085 2486.8135 0.0000 0.0000 52054.5406 -109113.7036 299.1582 -161168.2441 -108746.5757 299.4527 -95.3596 -65.4853 764446.9991 8.5865 8.7113 PRESSURE: 4222400 50.2364 -44.5889 35.5006 -44.5894 -156.295 97.2628 35.5003 97.2632 -91.4636 GPRESSURE: 4222400 107.956 60.6915 -15.5267 -10.3173 -175.369 115.441 33.2783 92.4415 -49.6512 PRESSAVG: 4222400 -12.2109 -1.31845 36.6003 -1.31849 12.8941 29.6173 36.6003 29.6173 12.4732 GPRESSAVG: 4222400 -11.8699 0.256797 36.6397 -0.73418 13.0372 29.0575 35.6018 28.6831 11.9925 TIMING: 4222400 CPU: 13189.6, 0.0031116/step Wall: 13189.6, 0.0031116/step, 0.672105 hours remaining, 235.226562 MB of memory in use. ENERGY: 4222400 4014.0104 20466.4078 14372.4346 251.1865 -203351.5260 2827.9133 0.0000 0.0000 52195.6954 -109223.8780 299.9694 -161419.5733 -108864.1714 299.5149 -65.8408 -39.0214 763838.3903 4.3855 4.3866 PRESSURE: 4222600 -264.608 52.075 43.2783 52.0748 -36.5108 -123.081 43.2781 -123.08 165.843 GPRESSURE: 4222600 -332.724 28.4729 45.7024 184.177 47.1232 2.76471 -190.612 -224.071 247.333 PRESSAVG: 4222600 -55.0332 -23.2053 21.6163 -23.2053 10.0735 41.2554 21.6163 41.2554 0.552265 GPRESSAVG: 4222600 -55.0338 -23.3927 22.0756 -25.2497 9.32787 42.9637 19.7851 39.2919 1.48873 TIMING: 4222600 CPU: 13190.2, 0.00311838/step Wall: 13190.2, 0.00311838/step, 0.673398 hours remaining, 235.226562 MB of memory in use. ENERGY: 4222600 3973.5208 20480.3494 14391.6668 252.0684 -203354.0227 2767.7286 0.0000 0.0000 52143.0052 -109345.6836 299.6666 -161488.6888 -108990.7775 299.2113 -45.0920 -12.7559 762899.3093 -14.8025 -14.7391 PRESSURE: 4222800 -5.4931 -60.12 -176.149 -60.1196 59.9148 192.733 -176.148 192.732 69.867 GPRESSURE: 4222800 -40.4439 37.7505 -132.996 -46.4283 105.164 182.976 -119.181 190.163 150.543 PRESSAVG: 4222800 -56.1383 -35.2348 33.4553 -35.2348 -14.1721 22.7955 33.4553 22.7955 4.31667 GPRESSAVG: 4222800 -56.0495 -36.2453 35.8669 -34.1167 -13.3802 21.5596 33.8863 25.0197 2.94004 TIMING: 4222800 CPU: 13190.9, 0.00311575/step Wall: 13190.9, 0.00311575/step, 0.672656 hours remaining, 235.226562 MB of memory in use. ENERGY: 4222800 3878.0956 20625.2375 14470.4726 254.3652 -203097.9183 2449.0835 0.0000 0.0000 52011.6463 -109409.0176 298.9116 -161420.6639 -109050.2162 298.7888 41.4296 71.7546 761896.1182 -21.9979 -22.1632 PRESSURE: 4223000 89.2742 -207.804 13.7604 -207.805 -57.9281 -44.7507 13.7607 -44.7507 14.2376 GPRESSURE: 4223000 104.129 -218.973 40.8499 -123.876 -11.7314 -42.1596 -38.4053 -24.1055 32.4913 PRESSAVG: 4223000 17.686 -50.7626 -19.0869 -50.7626 11.6617 11.1179 -19.0869 11.1178 -19.7189 GPRESSAVG: 4223000 17.6658 -50.5612 -21.3908 -49.9639 10.6922 10.7248 -17.4269 11.9916 -18.6628 TIMING: 4223000 CPU: 13191.5, 0.00309574/step Wall: 13191.5, 0.00309574/step, 0.668164 hours remaining, 235.226562 MB of memory in use. ENERGY: 4223000 3992.9345 20383.7224 14427.2083 236.2606 -203325.1543 2566.8246 0.0000 0.0000 52135.6989 -109582.5051 299.6246 -161718.2039 -109210.4656 298.7692 15.1946 41.6296 762144.0473 3.2096 3.2317 PRESSURE: 4223200 224.645 -260.152 -75.6224 -260.152 -334.362 38.3477 -75.6222 38.3468 95.7159 GPRESSURE: 4223200 277.603 -182.792 -5.01066 -110.976 -255.753 -17.5379 46.2038 86.5718 46.5415 PRESSAVG: 4223200 20.6542 -88.3342 26.8917 -88.3343 -0.00632852 -9.45005 26.8917 -9.45005 12.9371 GPRESSAVG: 4223200 20.9388 -86.5717 26.6999 -88.5521 0.132525 -9.48211 26.6101 -11.8948 12.1652 TIMING: 4223200 CPU: 13192.1, 0.00311063/step Wall: 13192.1, 0.00311063/step, 0.671205 hours remaining, 235.226562 MB of memory in use. ENERGY: 4223200 3968.7741 20526.4017 14445.5593 238.2489 -203143.6155 2635.6067 0.0000 0.0000 51924.8843 -109404.1405 298.4130 -161329.0248 -109053.9532 298.6657 -4.6667 22.7970 762016.9670 11.1950 11.0788 PRESSURE: 4223400 -237.167 24.7261 -125.731 24.7267 63.0439 120.721 -125.729 120.722 379.828 GPRESSURE: 4223400 -191.406 28.8698 -192.914 25.3049 101.598 156.707 -172.681 122.319 366.097 PRESSAVG: 4223400 -18.7021 -11.2476 8.41243 -11.2476 35.958 -11.3499 8.41246 -11.3499 -6.07626 GPRESSAVG: 4223400 -18.256 -12.6879 9.10579 -11.695 35.3803 -11.1144 7.35591 -9.82041 -6.42728 TIMING: 4223400 CPU: 13192.7, 0.00310521/step Wall: 13192.7, 0.00310521/step, 0.669864 hours remaining, 235.226562 MB of memory in use. ENERGY: 4223400 3921.7866 20380.7682 14454.1848 252.2347 -203091.0400 2449.2495 0.0000 0.0000 52097.2431 -109535.5731 299.4036 -161632.8162 -109170.6881 297.9976 68.5682 92.0964 762258.2447 3.7265 3.5657 PRESSURE: 4223600 -257.267 73.9024 149.561 73.9032 -157.183 87.6539 149.561 87.6542 164.146 GPRESSURE: 4223600 -195.63 86.7069 110.57 26.6103 -173.356 89.1954 100.559 83.8325 191.752 PRESSAVG: 4223600 -7.31925 -61.8181 22.3365 -61.818 35.5184 9.52339 22.3365 9.52342 23.5583 GPRESSAVG: 4223600 -7.89061 -61.1713 23.0323 -62.9991 35.1435 7.85879 24.5484 8.92292 24.492 TIMING: 4223600 CPU: 13193.3, 0.00311251/step Wall: 13193.3, 0.00311251/step, 0.671265 hours remaining, 235.226562 MB of memory in use. ENERGY: 4223600 3920.3495 20609.1260 14443.7710 228.7472 -203255.9314 2607.6863 0.0000 0.0000 51944.0319 -109502.2195 298.5231 -161446.2514 -109146.7866 298.4487 -83.4348 -59.0775 761771.9212 17.2525 17.2483 PRESSURE: 4223800 63.5087 -164.173 -153.474 -164.173 306.867 -211.34 -153.473 -211.34 -318.477 GPRESSURE: 4223800 183.584 -110.768 -172.725 -96.3349 258.597 -262.859 -227.773 -210.569 -296.312 PRESSAVG: 4223800 12.7163 -20.3418 -20.6065 -20.3418 -35.5262 2.74142 -20.6066 2.74138 -25.025 GPRESSAVG: 4223800 13.1436 -18.999 -20.8463 -18.2553 -36.7487 3.92152 -22.4128 1.86946 -24.6223 TIMING: 4223800 CPU: 13194, 0.00311685/step Wall: 13194, 0.00311685/step, 0.672027 hours remaining, 235.226562 MB of memory in use. ENERGY: 4223800 4011.2590 20513.9464 14439.5211 237.9060 -203348.9387 2608.2421 0.0000 0.0000 52041.1557 -109496.9083 299.0812 -161538.0640 -109130.1517 299.0071 17.2998 48.6229 761497.5002 -15.9450 -16.0758 PRESSURE: 4224000 -382.5 148.382 -146.416 148.382 -267.687 -199.568 -146.416 -199.568 -32.0441 GPRESSURE: 4224000 -378.224 46.7886 -203.51 10.3188 -205.496 -152.087 -162.269 -270.981 -2.81757 PRESSAVG: 4224000 15.2968 4.86991 -3.15923 4.8699 -24.0802 -24.0415 -3.15919 -24.0415 -18.5417 GPRESSAVG: 4224000 14.2001 5.2834 -5.55243 2.94302 -22.4903 -25.3334 -2.14727 -25.1863 -18.9546 TIMING: 4224000 CPU: 13194.6, 0.00311222/step Wall: 13194.6, 0.00311222/step, 0.670856 hours remaining, 235.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4224000 3946.8775 20580.3776 14475.9100 239.7533 -203578.5166 2742.1824 0.0000 0.0000 52273.5699 -109319.8459 300.4169 -161593.4158 -108945.4700 298.6902 -227.4102 -195.5124 762661.4563 -9.1084 -9.0816 PRESSURE: 4224200 425.973 21.8513 151.381 21.8512 -44.0073 -90.4804 151.38 -90.4806 256.901 GPRESSURE: 4224200 522.377 -41.315 177.685 -47.7689 -23.4043 -76.6216 63.5827 -83.3243 213.872 PRESSAVG: 4224200 25.4489 -38.7973 21.1269 -38.7974 -5.32261 4.73826 21.1269 4.73819 2.07793 GPRESSAVG: 4224200 26.0128 -42.0481 23.0599 -39.3791 -5.31641 6.54977 20.8404 7.23961 1.25467 TIMING: 4224200 CPU: 13195.2, 0.00310494/step Wall: 13195.2, 0.00310494/step, 0.669115 hours remaining, 235.226562 MB of memory in use. ENERGY: 4224200 4025.3267 20473.3789 14436.8568 240.8210 -203602.5527 3007.7166 0.0000 0.0000 52084.1341 -109334.3186 299.3282 -161418.4527 -108971.1292 299.4626 212.9556 237.6151 761933.4485 7.4014 7.3170 LDB: ============= START OF LOAD BALANCING ============== 13207.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13207.7 LDB: =============== DONE WITH MIGRATION ================ 13207.7 LDB: ============= START OF LOAD BALANCING ============== 13208 LDB: Largest compute 7051 load 0.028402 is 14.5% of average load 0.195264 LDB: Average compute 0.004411 is 2.3% of average load 0.195264 LDB: TIME 13208 LOAD: AVG 0.195264 MAX 0.214556 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.32 MB LDB: TIME 13208 LOAD: AVG 0.195264 MAX 0.214556 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.398 MB LDB: TIME 13208 LOAD: AVG 0.195264 MAX 0.214556 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.398 MB LDB: ============== END OF LOAD BALANCING =============== 13208 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13208 PRESSURE: 4224400 -91.2567 -133.071 -56.8723 -133.073 16.6053 15.7313 -56.8728 15.7318 -124.49 GPRESSURE: 4224400 -38.7818 5.98365 -105.836 -159.047 47.3443 -80.6627 -129.228 -53.2351 -135.674 PRESSAVG: 4224400 16.4073 -23.3948 26.2417 -23.3948 -9.90353 -12.5782 26.2416 -12.5782 -15.8528 GPRESSAVG: 4224400 17.4515 -21.1084 25.9181 -23.1925 -10.4999 -12.9934 27.2416 -15.3233 -16.5693 TIMING: 4224400 CPU: 13195.9, 0.00318735/step Wall: 13195.9, 0.00318735/step, 0.686696 hours remaining, 235.031250 MB of memory in use. ENERGY: 4224400 4003.5659 20541.7805 14422.6772 246.3210 -203645.8147 2789.9984 0.0000 0.0000 52514.9877 -109126.4840 301.8044 -161641.4717 -108749.9570 299.6621 -66.3803 -42.3705 760909.7760 -3.1163 -3.2059 PRESSURE: 4224600 -5.7523 -325.8 10.1884 -325.799 -195.51 -172.25 10.1883 -172.249 -167.892 GPRESSURE: 4224600 13.0548 -356.391 -61.3357 -332.382 -135.64 -142.206 -26.7398 -202.854 -159.998 PRESSAVG: 4224600 35.0367 53.4526 -45.3182 53.4527 -8.577 -45.3663 -45.3182 -45.3662 5.879 GPRESSAVG: 4224600 34.2938 55.1559 -46.5225 53.9356 -9.37358 -46.1322 -46.7815 -44.4977 8.00483 TIMING: 4224600 CPU: 13196.5, 0.00310307/step Wall: 13196.5, 0.00310307/step, 0.668367 hours remaining, 235.234375 MB of memory in use. ENERGY: 4224600 3907.4303 20758.7128 14401.5252 274.0376 -203248.4460 2671.6964 0.0000 0.0000 52200.1438 -109034.8999 299.9949 -161235.0437 -108673.2443 300.0007 -123.0514 -94.1946 760920.3713 10.7796 10.9750 PRESSURE: 4224800 -176.046 1.70748 -51.0812 1.70747 73.0685 -132.655 -51.0813 -132.655 46.5775 GPRESSURE: 4224800 -157.288 1.4258 47.3108 8.54978 161.5 -206.778 -49.3492 -226.095 33.6996 PRESSAVG: 4224800 -41.384 1.11414 -32.1739 1.11414 26.2107 -9.4237 -32.1739 -9.42372 5.57785 GPRESSAVG: 4224800 -40.8992 -1.20617 -29.7178 1.33806 26.454 -9.40598 -31.3474 -9.36865 4.53901 TIMING: 4224800 CPU: 13197.1, 0.00309943/step Wall: 13197.1, 0.00309943/step, 0.66741 hours remaining, 235.437500 MB of memory in use. ENERGY: 4224800 4014.9768 20556.8791 14421.8828 244.3221 -203902.7364 3134.9979 0.0000 0.0000 52454.5260 -109075.1516 301.4569 -161529.6776 -108717.4844 299.9922 -18.7999 12.6373 762103.7393 -3.1985 -3.3021 PRESSURE: 4225000 -279.671 -117.497 -44.6075 -117.496 297.459 -103.937 -44.6074 -103.937 -72.2928 GPRESSURE: 4225000 -99.3897 -1.67688 -12.9948 -51.0596 157.632 -56.9824 -104.778 56.5144 -26.9435 PRESSAVG: 4225000 -31.6728 31.7097 -14.2541 31.7097 19.5106 -26.5121 -14.2542 -26.512 9.03376 GPRESSAVG: 4225000 -32.4722 31.4192 -14.7265 31.7015 20.0439 -25.4018 -15.5517 -26.2637 9.40125 TIMING: 4225000 CPU: 13197.7, 0.0031042/step Wall: 13197.7, 0.0031042/step, 0.668265 hours remaining, 235.437500 MB of memory in use. ENERGY: 4225000 4027.3491 20800.7797 14497.4537 253.2445 -203361.0453 2746.7406 0.0000 0.0000 51974.5264 -109060.9514 298.6983 -161035.4778 -108701.2388 299.7298 -18.1683 10.4329 762266.2384 -1.0428 -1.0090 PRESSURE: 4225200 -88.8246 -185.237 33.0389 -185.238 -237.652 -49.5919 33.0394 -49.5922 -654.852 GPRESSURE: 4225200 -194.097 -65.3808 51.6544 -263.279 -166.68 -48.5116 -27.6284 -14.1681 -529.352 PRESSAVG: 4225200 9.20511 -60.245 15.8629 -60.245 23.974 -26.1108 15.863 -26.1108 -1.41863 GPRESSAVG: 4225200 8.10671 -57.4746 16.9862 -60.2764 24.2265 -26.8633 14.2813 -25.7062 -0.688773 TIMING: 4225200 CPU: 13198.3, 0.00311339/step Wall: 13198.3, 0.00311339/step, 0.670071 hours remaining, 235.437500 MB of memory in use. ENERGY: 4225200 3988.7302 20553.4372 14441.2920 252.4145 -203042.8106 2586.1756 0.0000 0.0000 52262.6158 -108958.1453 300.3540 -161220.7612 -108581.0151 299.6756 -327.1095 -296.7098 763894.0049 10.5868 10.5481 PRESSURE: 4225400 130.414 -78.5614 56.1755 -78.5619 9.74236 -134.909 56.1745 -134.908 -55.1513 GPRESSURE: 4225400 150.922 -19.2952 -101.176 -158.362 57.9284 -136.528 192.188 -203.74 -52.7305 PRESSAVG: 4225400 5.15517 -27.6359 -5.82 -27.636 -13.8709 -11.9868 -5.82004 -11.9869 8.30189 GPRESSAVG: 4225400 6.50714 -30.9158 -7.54544 -25.256 -12.085 -11.9052 -2.10735 -11.2125 5.70475 TIMING: 4225400 CPU: 13199, 0.00310718/step Wall: 13199, 0.00310718/step, 0.668561 hours remaining, 235.437500 MB of memory in use. ENERGY: 4225400 3942.5361 20603.2608 14510.6153 240.8899 -203261.2741 3043.4566 0.0000 0.0000 52194.9759 -108725.5395 299.9652 -160920.5154 -108365.1393 299.8389 28.3350 52.0399 764131.1597 -0.1379 0.0423 PRESSURE: 4225600 162.827 -7.66708 -108.266 -7.66775 206.361 -256.922 -108.266 -256.92 115.752 GPRESSURE: 4225600 147.067 -113.044 -82.9429 -33.9958 267.771 -196.158 -111.584 -117.975 144.936 PRESSAVG: 4225600 9.16468 -31.6447 38.543 -31.6448 -15.395 -9.92063 38.543 -9.9206 -14.14 GPRESSAVG: 4225600 9.385 -30.2369 38.9206 -34.8651 -16.9804 -9.52426 37.1803 -12.7559 -12.8445 TIMING: 4225600 CPU: 13199.6, 0.00310197/step Wall: 13199.6, 0.00310197/step, 0.667269 hours remaining, 235.437500 MB of memory in use. ENERGY: 4225600 3996.2186 20469.9146 14462.8896 248.7133 -203264.2701 2985.8716 0.0000 0.0000 52285.5773 -108815.0851 300.4859 -161100.6624 -108447.3507 299.9766 161.6467 186.5915 764512.4852 -6.7901 -6.8133 PRESSURE: 4225800 -477.509 24.9598 -309.747 24.9597 -60.5811 46.7823 -309.747 46.7837 -35.5263 GPRESSURE: 4225800 -375.597 43.1855 -304.673 13.668 -62.1476 13.7111 -243.262 -43.1127 -31.4522 PRESSAVG: 4225800 -10.4372 -2.84205 52.9228 -2.84204 28.5421 9.0354 52.9228 9.03541 16.4311 GPRESSAVG: 4225800 -10.0406 -2.5734 52.327 -2.1009 28.7602 8.36435 53.2708 9.83199 15.9217 TIMING: 4225800 CPU: 13200.2, 0.00312045/step Wall: 13200.2, 0.00312045/step, 0.67107 hours remaining, 235.437500 MB of memory in use. ENERGY: 4225800 4002.0021 20539.7598 14466.6445 240.5568 -203099.3916 2626.9887 0.0000 0.0000 52122.6772 -109100.7625 299.5497 -161223.4397 -108740.1430 299.7672 -191.2054 -156.3991 762965.3803 11.5120 11.5471 PRESSURE: 4226000 -123.07 -13.8178 -37.4595 -13.8176 46.7699 -203.522 -37.4591 -203.524 80.0036 GPRESSURE: 4226000 -118.085 -91.6068 -42.2633 58.314 77.0282 -237.002 -45.9185 -139.226 118.756 PRESSAVG: 4226000 5.89835 -15.1354 -10.4576 -15.1354 -10.5925 5.2157 -10.4576 5.21574 -15.4379 GPRESSAVG: 4226000 5.15864 -15.6946 -9.46822 -15.8404 -10.5329 6.66796 -9.92987 5.82714 -14.5119 TIMING: 4226000 CPU: 13200.8, 0.00309615/step Wall: 13200.8, 0.00309615/step, 0.665672 hours remaining, 235.437500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4226000 4019.5385 20516.5879 14469.7403 251.7660 -203100.4580 2725.3870 0.0000 0.0000 52021.1178 -109096.3204 298.9661 -161117.4382 -108732.6216 298.9057 1.2344 25.8995 764064.2462 -6.7107 -6.6287 PRESSURE: 4226200 229.446 -38.6247 87.213 -38.6251 63.3679 -190.461 87.2127 -190.461 109.47 GPRESSURE: 4226200 186.422 -183.045 50.7986 -53.7665 84.8025 -205.915 79.7306 -236.353 213.257 PRESSAVG: 4226200 33.7545 -19.9776 42.1768 -19.9777 0.427008 25.3479 42.1768 25.348 -13.2596 GPRESSAVG: 4226200 32.9852 -20.7091 43.6123 -19.6955 0.754901 23.3366 41.5962 24.5274 -12.8455 TIMING: 4226200 CPU: 13201.4, 0.00311809/step Wall: 13201.4, 0.00311809/step, 0.670216 hours remaining, 235.437500 MB of memory in use. ENERGY: 4226200 3966.2622 20605.2813 14482.9142 257.6799 -203425.7428 2812.9441 0.0000 0.0000 52373.6664 -108926.9947 300.9922 -161300.6611 -108555.9953 299.4029 134.0947 161.4938 762285.7860 6.9740 6.9649 PRESSURE: 4226400 -47.645 103.742 42.7511 103.742 373.654 -110.665 42.7502 -110.664 392.369 GPRESSURE: 4226400 31.3607 97.2534 16.6861 131.757 349.963 -164.379 33.9088 -70.6389 429.484 PRESSAVG: 4226400 -14.5824 -38.6359 34.2983 -38.6358 -10.0118 3.44588 34.2983 3.44591 27.5339 GPRESSAVG: 4226400 -11.4915 -39.0633 31.3552 -37.1694 -11.0342 3.2458 34.1638 4.64018 25.7031 TIMING: 4226400 CPU: 13202.1, 0.00314469/step Wall: 13202.1, 0.00314469/step, 0.675759 hours remaining, 235.437500 MB of memory in use. ENERGY: 4226400 4005.5016 20556.0640 14515.9239 244.1529 -203466.3308 2832.7215 0.0000 0.0000 52328.9205 -108983.0464 300.7350 -161311.9669 -108620.6557 299.6926 239.4591 270.2692 761811.1145 0.9799 1.0591 PRESSURE: 4226600 276.048 -46.2138 -155.046 -46.2143 15.2601 4.49046 -155.046 4.49108 -354.07 GPRESSURE: 4226600 226.707 21.7888 -108.829 -19.2726 87.2292 -23.3975 -126.775 -59.1641 -271.599 PRESSAVG: 4226600 21.8804 -18.4077 38.98 -18.4077 -15.2435 14.3241 38.98 14.3241 21.1362 GPRESSAVG: 4226600 20.2545 -15.4584 39.3706 -19.6731 -14.4666 14.0279 40.3118 14.7336 21.6927 TIMING: 4226600 CPU: 13202.7, 0.00310675/step Wall: 13202.7, 0.00310675/step, 0.667433 hours remaining, 235.437500 MB of memory in use. ENERGY: 4226600 3985.1582 20735.9161 14501.3801 260.9486 -203456.7196 2903.6717 0.0000 0.0000 52298.6581 -108770.9869 300.5611 -161069.6449 -108413.0573 299.9342 -20.9206 14.1126 762526.3216 9.2577 9.1602 PRESSURE: 4226800 3.07672 -9.9797 521.562 -9.98003 332.589 7.30905 521.561 7.30875 -215.125 GPRESSURE: 4226800 9.19391 -95.5025 426.067 32.3849 332.721 14.7199 370.906 4.69383 -147.988 PRESSAVG: 4226800 -32.626 15.0856 28.2459 15.0856 52.2088 -31.0134 28.2459 -31.0135 -15.6666 GPRESSAVG: 4226800 -32.5489 11.6092 27.778 16.1062 51.3218 -30.6087 26.5192 -31.2717 -14.5357 TIMING: 4226800 CPU: 13203.3, 0.00310605/step Wall: 13203.3, 0.00310605/step, 0.66711 hours remaining, 235.437500 MB of memory in use. ENERGY: 4226800 4028.1026 20634.9961 14492.9372 252.5647 -203052.9710 2793.3270 0.0000 0.0000 52072.5103 -108778.5330 299.2614 -160851.0433 -108415.9637 300.4372 40.1803 64.6424 763896.5293 1.3054 1.4124 PRESSURE: 4227000 -81.5865 -192.7 32.7038 -192.7 -458.497 13.8949 32.7044 13.8953 179.989 GPRESSURE: 4227000 -86.7981 -229.54 16.3804 -232.198 -323.79 45.8737 29.7422 -62.4966 149.512 PRESSAVG: 4227000 6.77053 -63.1706 7.43077 -63.1706 -17.3228 13.2456 7.43073 13.2455 -6.88742 GPRESSAVG: 4227000 6.40308 -61.5358 8.47414 -63.328 -16.336 13.9692 6.36367 14.7545 -7.10103 TIMING: 4227000 CPU: 13203.9, 0.00310627/step Wall: 13203.9, 0.00310627/step, 0.666985 hours remaining, 235.437500 MB of memory in use. ENERGY: 4227000 4098.3387 20615.8176 14439.7640 253.3253 -202857.6119 2526.0866 0.0000 0.0000 52299.9239 -108624.3559 300.5684 -160924.2798 -108269.2408 300.2874 -120.0317 -87.0254 764016.8811 -5.8132 -5.6780 PRESSURE: 4227200 -110.07 54.6121 15.1431 54.612 -232.796 14.7455 15.1427 14.7453 106.598 GPRESSURE: 4227200 -60.4365 48.1399 16.5298 51.3711 -147 -51.7685 111.836 78.9798 48.2593 PRESSAVG: 4227200 36.1126 -52.8346 -12.6103 -52.8346 -38.8665 52.8412 -12.6102 52.8412 9.31289 GPRESSAVG: 4227200 37.0683 -53.0716 -13.3088 -51.8531 -38.7472 53.6423 -11.2714 50.8941 8.43022 TIMING: 4227200 CPU: 13204.6, 0.00309847/step Wall: 13204.6, 0.00309847/step, 0.665138 hours remaining, 235.437500 MB of memory in use. ENERGY: 4227200 4009.5160 20719.5981 14433.4881 259.2688 -203072.2235 2713.4098 0.0000 0.0000 52121.6081 -108815.3347 299.5436 -160936.9428 -108455.1225 300.3038 -78.7559 -53.0590 764892.7664 2.1863 2.2504 PRESSURE: 4227400 290.57 -69.1036 -30.0876 -69.1032 -4.37763 195.105 -30.0881 195.105 -295.041 GPRESSURE: 4227400 313.278 -50.3841 -10.0897 -12.2931 55.862 188.949 87.3971 111.646 -285.621 PRESSAVG: 4227400 -98.1115 -53.1909 13.7533 -53.1908 72.6865 11.9394 13.7533 11.9394 17.5365 GPRESSAVG: 4227400 -97.1524 -51.7143 13.5787 -54.2388 71.0355 10.6751 13.6318 13.064 18.0912 TIMING: 4227400 CPU: 13205.2, 0.00310018/step Wall: 13205.2, 0.00310018/step, 0.665332 hours remaining, 235.437500 MB of memory in use. ENERGY: 4227400 4048.5811 20603.9036 14427.6522 265.2637 -203479.5230 2897.2819 0.0000 0.0000 52424.1634 -108812.6770 301.2824 -161236.8404 -108444.6685 300.4351 -2.9493 27.8394 763754.6869 -2.6295 -2.6752 PRESSURE: 4227600 145.411 -258.09 -116.958 -258.089 -15.7639 1.40249 -116.958 1.40303 -88.0767 GPRESSURE: 4227600 136.767 -283.551 -147.327 -284.562 141.857 15.0465 -186.036 -204.088 -152.813 PRESSAVG: 4227600 -58.5623 -37.9383 3.90912 -37.9383 58.9597 49.6237 3.90908 49.6237 10.745 GPRESSAVG: 4227600 -59.5697 -38.8046 3.97515 -37.1378 60.4217 50.4785 5.02526 47.9575 10.5382 TIMING: 4227600 CPU: 13205.8, 0.00310519/step Wall: 13205.8, 0.00310519/step, 0.666236 hours remaining, 235.437500 MB of memory in use. ENERGY: 4227600 3995.2557 20515.4521 14415.2244 248.7671 -203387.3877 3023.6262 0.0000 0.0000 52366.3164 -108822.7457 300.9499 -161189.0621 -108459.8725 300.4549 13.8568 41.9370 763531.5794 3.7142 3.7967 PRESSURE: 4227800 191.575 14.8151 26.8528 14.8152 -51.0708 -210.292 26.8522 -210.292 -76.1196 GPRESSURE: 4227800 121.236 6.95429 -51.274 -93.0618 64.9791 -166.735 -62.8836 -267.415 -28.8028 PRESSAVG: 4227800 -27.11 -40.3249 -45.4126 -40.3248 -24.7565 -1.47631 -45.4126 -1.47627 26.33 GPRESSAVG: 4227800 -28.0397 -41.4263 -45.9377 -40.69 -24.4997 -1.2557 -46.4606 0.0693192 26.635 TIMING: 4227800 CPU: 13206.4, 0.0030929/step Wall: 13206.4, 0.0030929/step, 0.663428 hours remaining, 235.437500 MB of memory in use. ENERGY: 4227800 3945.1577 20700.5738 14427.0830 251.8639 -203139.4829 2710.7173 0.0000 0.0000 52264.7047 -108839.3824 300.3660 -161104.0871 -108471.4597 300.0807 21.4616 52.4709 764275.5280 -8.5122 -8.6348 PRESSURE: 4228000 21.6327 26.3399 65.7067 26.3401 136.677 91.5202 65.7072 91.5206 -316.408 GPRESSURE: 4228000 58.7224 13.7373 -9.4763 53.8634 203.038 139.894 144.391 -5.40362 -322.392 PRESSAVG: 4228000 30.4597 9.39317 5.36027 9.39318 7.15505 -3.77547 5.36029 -3.77546 10.7667 GPRESSAVG: 4228000 31.238 10.3966 5.39964 9.34395 6.11576 -5.40493 5.65169 -4.12843 11.2044 TIMING: 4228000 CPU: 13207, 0.00308526/step Wall: 13207, 0.00308526/step, 0.661618 hours remaining, 235.437500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4228000 3996.4427 20632.2986 14502.7622 254.8297 -202832.6242 2572.8833 0.0000 0.0000 52129.3189 -108744.0888 299.5879 -160873.4076 -108378.0964 300.0472 -52.6995 -20.2106 762381.6386 16.1272 16.1861 PRESSURE: 4228200 67.9288 183.316 -73.4938 183.315 86.1799 167.024 -73.4938 167.023 -108.741 GPRESSURE: 4228200 93.8933 37.0222 -64.1333 79.9316 97.1529 208.674 -90.366 253.284 -57.0074 PRESSAVG: 4228200 16.7551 22.4251 5.71812 22.4251 53.4942 46.696 5.71823 46.6959 -12.415 GPRESSAVG: 4228200 17.6011 22.8036 5.90652 22.672 53.0817 47.0504 7.30561 45.155 -13.2364 TIMING: 4228200 CPU: 13207.7, 0.00310489/step Wall: 13207.7, 0.00310489/step, 0.665654 hours remaining, 235.437500 MB of memory in use. ENERGY: 4228200 3964.6862 20667.9511 14460.4610 229.2250 -203550.8962 3067.1641 0.0000 0.0000 52156.7127 -109004.6962 299.7453 -161161.4089 -108644.8767 300.0364 15.1224 44.6796 762226.1856 19.2781 19.1488 LDB: ============= START OF LOAD BALANCING ============== 13220.1 LDB: ============== END OF LOAD BALANCING =============== 13220.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13220.1 LDB: ============= START OF LOAD BALANCING ============== 13220.4 LDB: Largest compute 7027 load 0.029780 is 15.3% of average load 0.195280 LDB: Average compute 0.004413 is 2.3% of average load 0.195280 LDB: TIME 13220.4 LOAD: AVG 0.19528 MAX 0.219316 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.645 MB LDB: TIME 13220.4 LOAD: AVG 0.19528 MAX 0.219316 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.645 MB LDB: TIME 13220.4 LOAD: AVG 0.19528 MAX 0.216492 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.645 MB LDB: ============== END OF LOAD BALANCING =============== 13220.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13220.5 PRESSURE: 4228400 -186.635 126.389 12.194 126.389 33.5488 38.6008 12.1934 38.5999 -181.377 GPRESSURE: 4228400 -119.425 97.1868 12.2773 169.776 19.8749 -30.7278 29.2425 120.526 -158.022 PRESSAVG: 4228400 26.5546 -6.50953 -45.6226 -6.50957 -38.495 47.1024 -45.6226 47.1024 -6.80394 GPRESSAVG: 4228400 26.1859 -6.68807 -44.2817 -8.06774 -38.5859 46.4216 -46.3934 49.7252 -5.63553 TIMING: 4228400 CPU: 13208.3, 0.00318258/step Wall: 13208.3, 0.00318258/step, 0.682134 hours remaining, 233.750000 MB of memory in use. ENERGY: 4228400 3961.6972 20467.0080 14441.0962 262.1944 -203302.5491 2976.1387 0.0000 0.0000 52323.8210 -108870.5937 300.7057 -161194.4147 -108501.5951 300.0077 -111.4878 -85.8575 763634.2834 -6.2481 -6.0119 PRESSURE: 4228600 17.2219 142.397 387.532 142.398 -104.187 -122.582 387.531 -122.583 -386.861 GPRESSURE: 4228600 64.7655 61.7264 422.478 144.676 -66.0123 -121.552 354.515 -91.2985 -384.732 PRESSAVG: 4228600 -35.2332 -71.29 5.19438 -71.29 -20.0986 16.6795 5.19437 16.6794 10.2808 GPRESSAVG: 4228600 -35.2887 -73.0866 5.11361 -69.1226 -19.0604 19.2701 3.72156 15.4937 9.30525 TIMING: 4228600 CPU: 13208.9, 0.00310853/step Wall: 13208.9, 0.00310854/step, 0.66609 hours remaining, 233.875000 MB of memory in use. ENERGY: 4228600 3990.6894 20554.2675 14494.0658 246.2899 -203025.7431 2687.9084 0.0000 0.0000 52396.1248 -108656.3974 301.1212 -161052.5222 -108292.4576 300.3788 -157.9418 -128.6595 763191.8403 -15.0170 -15.0146 PRESSURE: 4228800 -149.426 -81.0857 5.5908 -81.0866 166.664 -93.7446 5.59054 -93.7436 -266.246 GPRESSURE: 4228800 -119.444 -99.7407 -24.887 -94.7513 188.948 -125.206 2.48704 -44.3468 -223.976 PRESSAVG: 4228800 6.59199 3.32511 -3.15232 3.32506 -21.3483 37.8539 -3.1523 37.854 -0.102799 GPRESSAVG: 4228800 5.86167 4.10229 -4.70137 2.68093 -20.3882 35.6702 -2.38665 39.6792 -0.115361 TIMING: 4228800 CPU: 13209.5, 0.00309805/step Wall: 13209.5, 0.00309805/step, 0.663671 hours remaining, 233.875000 MB of memory in use. ENERGY: 4228800 4055.0747 20660.8690 14437.8033 256.6870 -203532.9966 3131.6233 0.0000 0.0000 52260.7075 -108730.2319 300.3430 -160990.9393 -108364.2418 300.6863 -83.0025 -51.4907 763240.0661 -4.9530 -4.8806 PRESSURE: 4229000 -630.27 101.788 138.846 101.788 -438.727 -130.984 138.848 -130.984 -19.9693 GPRESSURE: 4229000 -503.704 109.146 100.837 245.604 -404.336 -184.273 104.002 -13.5621 -93.168 PRESSAVG: 4229000 -53.2345 8.48269 -3.27292 8.48267 12.963 62.9069 -3.27292 62.907 4.40065 GPRESSAVG: 4229000 -53.9502 8.98689 -1.89337 8.56369 14.2202 62.9791 -5.02085 61.7344 3.55106 TIMING: 4229000 CPU: 13210.2, 0.00309504/step Wall: 13210.2, 0.00309504/step, 0.662853 hours remaining, 233.875000 MB of memory in use. ENERGY: 4229000 4012.5694 20602.5031 14523.1845 250.6112 -203082.7370 2640.5890 0.0000 0.0000 52334.9596 -108718.3203 300.7697 -161053.2799 -108357.2272 300.5443 -362.9886 -333.7359 765757.4503 -11.9569 -12.0596 PRESSURE: 4229200 44.3647 -114.422 75.1908 -114.421 230.545 446.714 75.1912 446.714 313.34 GPRESSURE: 4229200 91.0925 -85.479 -3.40024 -155.99 317.283 352.311 49.5416 406.218 246.534 PRESSAVG: 4229200 0.395693 -6.10172 4.05549 -6.10171 8.77141 -29.2581 4.05547 -29.2581 -25.0472 GPRESSAVG: 4229200 1.01035 -5.26744 4.26367 -6.34382 6.564 -28.9625 4.80473 -28.9153 -23.2329 TIMING: 4229200 CPU: 13210.8, 0.00311726/step Wall: 13210.8, 0.00311726/step, 0.66744 hours remaining, 233.875000 MB of memory in use. ENERGY: 4229200 3984.6247 20686.9332 14432.5008 246.3779 -203334.7003 3125.1416 0.0000 0.0000 52268.0380 -108591.0842 300.3851 -160859.1222 -108224.8410 300.9593 196.0831 218.3034 762349.7378 -5.2934 -5.2195 PRESSURE: 4229400 124.84 -148.531 69.8668 -148.531 -23.5117 209.444 69.8673 209.444 -228.341 GPRESSURE: 4229400 162.845 -56.3167 125.444 -180.371 35.5192 227.729 26.2614 154.866 -240.803 PRESSAVG: 4229400 16.1233 8.55375 4.49895 8.5537 -17.086 22.6797 4.49899 22.6798 11.7882 GPRESSAVG: 4229400 16.7562 7.03696 3.85925 8.15783 -16.0747 23.8042 6.69614 20.8222 10.4328 TIMING: 4229400 CPU: 13211.4, 0.00309269/step Wall: 13211.4, 0.00309269/step, 0.662008 hours remaining, 233.875000 MB of memory in use. ENERGY: 4229400 4048.3617 20553.2560 14497.2784 245.6023 -203165.8822 2851.2367 0.0000 0.0000 52394.2467 -108575.9004 301.1105 -160970.1471 -108190.8330 300.8565 -42.3375 -14.1461 763784.8056 3.6085 3.7047 PRESSURE: 4229600 -142.314 -146.535 -217.032 -146.535 -518.662 -75.11 -217.032 -75.1084 -411.377 GPRESSURE: 4229600 -105.802 -105.115 -164.415 -185.297 -430.674 -30.817 -219.446 -50.0324 -458.071 PRESSAVG: 4229600 17.4601 -22.4387 -27.0227 -22.4386 -14.6917 -44.4837 -27.0227 -44.4836 -4.69398 GPRESSAVG: 4229600 17.9195 -20.1023 -26.0635 -23.3849 -14.9797 -45.1948 -30.1559 -43.2927 -5.34775 TIMING: 4229600 CPU: 13212, 0.00311942/step Wall: 13212, 0.00311942/step, 0.667556 hours remaining, 233.875000 MB of memory in use. ENERGY: 4229600 4024.9311 20547.2582 14485.6283 241.5085 -202731.9292 2477.2018 0.0000 0.0000 52291.2455 -108664.1558 300.5185 -160955.4012 -108302.4554 300.1173 -357.4508 -331.5159 765344.8875 -0.6419 -0.8026 PRESSURE: 4229800 -12.5327 -74.1669 -181.906 -74.1658 -34.488 74.548 -181.904 74.5483 294.296 GPRESSURE: 4229800 62.4652 -152.864 -150.781 -144.51 -6.12374 65.8005 -85.6341 92.1991 265.586 PRESSAVG: 4229800 72.9481 11.0402 -30.8748 11.0402 -62.7792 69.5226 -30.8748 69.5226 -12.1968 GPRESSAVG: 4229800 71.6495 9.09224 -28.7148 10.4804 -62.6734 69.7146 -30.0231 71.4044 -10.8309 TIMING: 4229800 CPU: 13212.6, 0.00310968/step Wall: 13212.6, 0.00310968/step, 0.665298 hours remaining, 233.875000 MB of memory in use. ENERGY: 4229800 3999.8476 20707.1511 14480.2568 245.6701 -203361.4782 3104.3723 0.0000 0.0000 52272.1159 -108552.0644 300.4086 -160824.1802 -108199.6078 300.2859 82.4251 107.3090 762287.6504 -0.6760 -0.6183 PRESSURE: 4230000 -301.623 110.769 78.4558 110.769 -453.2 207.544 78.4549 207.542 -430.927 GPRESSURE: 4230000 -300.541 -7.38311 -54.3458 13.0666 -402.233 58.3531 222.356 166.876 -382.49 PRESSAVG: 4230000 -2.42491 -40.6012 20.4312 -40.6013 -13.1148 -4.55411 20.4311 -4.55407 2.87177 GPRESSAVG: 4230000 -1.79583 -38.879 18.0917 -39.8624 -14.2678 -6.2936 22.1175 -6.66204 3.07732 TIMING: 4230000 CPU: 13213.3, 0.00309245/step Wall: 13213.3, 0.00309245/step, 0.661441 hours remaining, 233.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4230000 3951.2309 20602.8461 14466.9095 247.2535 -202819.0384 2488.5244 0.0000 0.0000 52340.2033 -108722.0706 300.7999 -161062.2739 -108354.5061 300.4202 -395.2502 -361.7545 764435.8989 -4.2226 -4.3288 PRESSURE: 4230200 -160.386 -98.8935 133.742 -98.8938 15.9898 141.041 133.743 141.041 -97.7656 GPRESSURE: 4230200 -62.4141 -98.2362 151.256 -125.926 -25.0017 138.34 -24.196 321.818 -52.1796 PRESSAVG: 4230200 57.1404 -51.779 -0.612048 -51.779 -53.8881 9.61824 -0.612156 9.61826 7.55472 GPRESSAVG: 4230200 57.614 -53.9943 0.743104 -53.7686 -53.4379 9.21144 -3.21649 8.94055 6.91742 TIMING: 4230200 CPU: 13213.9, 0.00312143/step Wall: 13213.9, 0.00312143/step, 0.667467 hours remaining, 233.875000 MB of memory in use. ENERGY: 4230200 4030.5703 20618.5652 14430.2604 251.0973 -202834.4813 2576.3841 0.0000 0.0000 52299.0276 -108628.5764 300.5632 -160927.6040 -108268.7749 300.4881 -80.7205 -46.5318 763261.3937 3.6024 3.6978 PRESSURE: 4230400 -65.6321 -65.2546 -191.365 -65.2551 -182.419 105.349 -191.364 105.349 137.421 GPRESSURE: 4230400 -52.1334 -29.5486 -182.847 -14.6735 -145.353 157.82 -109.262 105.339 160.209 PRESSAVG: 4230400 23.3581 -52.4998 -45.6296 -52.4998 -26.8748 48.6352 -45.6296 48.6352 8.68437 GPRESSAVG: 4230400 23.1598 -50.4499 -47.4072 -50.9508 -28.8804 49.4352 -42.99 50.7486 10.9896 TIMING: 4230400 CPU: 13214.5, 0.00313537/step Wall: 13214.5, 0.00313537/step, 0.670273 hours remaining, 233.875000 MB of memory in use. ENERGY: 4230400 4060.5016 20631.5292 14418.6037 253.0727 -203065.6826 2695.6345 0.0000 0.0000 52167.4383 -108838.9026 299.8070 -161006.3409 -108475.5791 299.9775 -36.8767 -12.4256 761994.4113 1.7225 1.7563 PRESSURE: 4230600 15.1108 111.41 -31.4225 111.409 -100.124 -52.8428 -31.4225 -52.844 143.021 GPRESSURE: 4230600 4.34014 -6.18512 -67.901 76.5028 -81.6145 -19.9992 -7.46108 10.6616 222.374 PRESSAVG: 4230600 17.3306 25.1655 -15.5859 25.1656 -13.7462 -16.0473 -15.5858 -16.0472 11.4645 GPRESSAVG: 4230600 16.6314 24.5387 -14.867 25.1202 -12.7518 -17.2888 -14.4792 -16.3198 11.0118 TIMING: 4230600 CPU: 13215.1, 0.00309228/step Wall: 13215.1, 0.00309228/step, 0.660889 hours remaining, 233.875000 MB of memory in use. ENERGY: 4230600 3997.0425 20772.8089 14375.0205 223.1430 -203663.4949 2969.5732 0.0000 0.0000 52351.0192 -108974.8876 300.8620 -161325.9068 -108613.0458 300.0926 19.3359 48.3666 762697.2185 5.0163 4.9638 PRESSURE: 4230800 153.7 131.963 67.5468 131.963 173.767 129.73 67.547 129.73 -24.4762 GPRESSURE: 4230800 128.109 257.335 76.321 89.1349 273.665 146.047 -35.6802 43.3821 -17.8508 PRESSAVG: 4230800 -15.4265 -10.608 0.468198 -10.608 -17.2317 37.792 0.468262 37.7921 8.90226 GPRESSAVG: 4230800 -15.6452 -12.0144 -1.3632 -9.21369 -15.9826 40.3211 -0.365416 35.9749 7.76692 TIMING: 4230800 CPU: 13215.7, 0.00309761/step Wall: 13215.7, 0.00309761/step, 0.661857 hours remaining, 233.875000 MB of memory in use. ENERGY: 4230800 4047.0940 20454.4933 14510.9861 232.2245 -203401.8890 2955.7659 0.0000 0.0000 52348.9661 -108852.3591 300.8502 -161201.3252 -108495.3251 300.3481 100.9971 127.9743 763679.7919 -7.9186 -7.9536 PRESSURE: 4231000 44.3418 71.8342 42.607 71.8359 -66.1221 67.4177 42.6081 67.4175 -166.646 GPRESSURE: 4231000 35.5121 45.5888 69.8268 -15.0364 -9.65818 105.549 102.161 96.3582 -150.648 PRESSAVG: 4231000 -22.1973 47.0392 58.6194 47.0391 32.2084 20.3171 58.6195 20.3171 -4.21101 GPRESSAVG: 4231000 -22.4655 47.4866 61.5712 47.0046 31.6267 19.9005 58.1283 21.3312 -3.41072 TIMING: 4231000 CPU: 13216.4, 0.00310101/step Wall: 13216.4, 0.00310101/step, 0.662411 hours remaining, 233.875000 MB of memory in use. ENERGY: 4231000 4043.4784 20605.7152 14453.0796 247.2455 -203513.1793 3144.3710 0.0000 0.0000 52100.4860 -108918.8035 299.4222 -161019.2895 -108561.3787 300.0857 -62.8088 -41.5980 762804.8439 1.9334 1.9168 PRESSURE: 4231200 -40.5911 88.086 234.054 88.0865 -258.285 -91.2253 234.055 -91.2243 -448.495 GPRESSURE: 4231200 -53.2098 5.77931 107.994 73.4688 -205.768 -119.614 82.1972 -20.0948 -408.689 PRESSAVG: 4231200 -20.4173 -15.9579 8.94705 -15.9579 73.1507 -23.0213 8.94709 -23.0213 13.0529 GPRESSAVG: 4231200 -19.7825 -14.105 6.27633 -15.9655 73.4108 -23.509 8.4406 -24.4989 12.3851 TIMING: 4231200 CPU: 13217, 0.00311346/step Wall: 13217, 0.00311346/step, 0.664897 hours remaining, 233.875000 MB of memory in use. ENERGY: 4231200 4049.3766 20683.1834 14517.9143 233.8056 -202706.2726 2413.8725 0.0000 0.0000 51846.9311 -108961.1891 297.9650 -160808.1202 -108603.3439 300.0904 -249.1236 -222.5554 762365.6851 21.9287 22.0045 PRESSURE: 4231400 -114.589 -1.71089 194.599 -1.7114 -163.528 -170.717 194.599 -170.716 -138.337 GPRESSURE: 4231400 -54.4923 26.5954 200.026 20.1321 -109.907 -184.071 128.668 -134.03 -165.603 PRESSAVG: 4231400 46.5053 8.88106 -13.1154 8.88106 -43.589 -61.9701 -13.1153 -61.9702 -7.41306 GPRESSAVG: 4231400 45.3749 8.1549 -11.4645 7.93456 -43.4476 -60.8764 -14.0405 -61.3343 -6.74304 TIMING: 4231400 CPU: 13217.6, 0.0031209/step Wall: 13217.6, 0.0031209/step, 0.666311 hours remaining, 233.875000 MB of memory in use. ENERGY: 4231400 4011.9139 20635.9728 14429.3295 284.5563 -203360.0974 2674.0181 0.0000 0.0000 52385.8954 -108938.4113 301.0625 -161324.3067 -108575.4709 300.3019 -138.8179 -110.0005 763150.7456 -1.4989 -1.6052 PRESSURE: 4231600 115.232 -44.035 146.129 -44.0358 315.547 -71.988 146.129 -71.9879 530.718 GPRESSURE: 4231600 92.6856 -123.495 147.949 -91.4194 405.169 -1.21704 190.168 -28.6811 562.788 PRESSAVG: 4231600 -89.3723 -26.0406 -7.78792 -26.0405 56.9847 -3.86566 -7.78796 -3.86572 -0.847244 GPRESSAVG: 4231600 -88.564 -27.7059 -7.29526 -23.9923 57.3597 -5.34576 -6.80635 -4.15353 -1.95139 TIMING: 4231600 CPU: 13218.2, 0.00311847/step Wall: 13218.2, 0.00311847/step, 0.66562 hours remaining, 233.875000 MB of memory in use. ENERGY: 4231600 4017.6511 20754.2036 14429.2904 267.6159 -203200.4388 3084.4562 0.0000 0.0000 52110.2234 -108536.9983 299.4782 -160647.2216 -108182.4917 300.6394 320.4987 353.5478 763088.6622 -11.0783 -11.0519 PRESSURE: 4231800 -68.2346 -135.265 -31.3923 -135.264 370.291 82.6522 -31.3915 82.6515 12.444 GPRESSURE: 4231800 -21.7299 -172.045 -84.7693 -125.771 298.301 66.7564 -115.689 154.977 115.193 PRESSAVG: 4231800 -1.04289 -17.24 -1.44117 -17.24 -13.3377 -15.7841 -1.44114 -15.7841 5.87827 GPRESSAVG: 4231800 -2.38211 -15.2099 -1.59094 -20.0556 -13.7321 -15.5034 -0.269891 -15.6001 7.93813 TIMING: 4231800 CPU: 13218.9, 0.00313723/step Wall: 13218.9, 0.00313723/step, 0.669449 hours remaining, 233.875000 MB of memory in use. ENERGY: 4231800 3984.2356 20730.5065 14480.7053 243.2684 -202771.6796 2614.1752 0.0000 0.0000 52230.6773 -108488.1113 300.1704 -160718.7886 -108133.4114 300.4714 104.8335 130.5879 764405.7332 -2.8341 -2.7253 PRESSURE: 4232000 104.215 -30.6715 34.9455 -30.6701 16.7727 -85.839 34.9451 -85.839 -284.677 GPRESSURE: 4232000 65.9437 51.9533 28.606 76.4485 47.6871 -46.9732 0.316889 -170.352 -208.704 PRESSAVG: 4232000 10.1807 17.5557 -52.857 17.5556 -1.81777 -41.3264 -52.857 -41.3263 24.1327 GPRESSAVG: 4232000 9.98715 15.963 -52.8557 18.7201 -0.958277 -40.5946 -53.6034 -42.5452 22.999 TIMING: 4232000 CPU: 13219.5, 0.00312233/step Wall: 13219.5, 0.00312233/step, 0.666096 hours remaining, 233.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4232000 3967.5781 20661.2789 14442.7379 249.5291 -202852.4438 2616.8165 0.0000 0.0000 52327.7301 -108586.7732 300.7282 -160914.5033 -108220.7503 300.8665 -54.5631 -31.6911 764948.0417 10.8318 10.6760 PRESSURE: 4232200 11.6226 38.1949 3.49478 38.194 92.9657 -74.6729 3.49498 -74.6722 -64.4065 GPRESSURE: 4232200 84.5435 44.4748 24.9728 137.548 116.998 -118.698 98.5496 -67.5272 -91.281 PRESSAVG: 4232200 25.2412 1.53514 -35.6383 1.53509 -16.9607 -24.3729 -35.6383 -24.3729 2.17973 GPRESSAVG: 4232200 27.7204 1.26022 -36.4426 3.60481 -17.7668 -25.0892 -34.2691 -22.4215 0.911572 TIMING: 4232200 CPU: 13220.1, 0.00314132/step Wall: 13220.1, 0.00314132/step, 0.669974 hours remaining, 233.875000 MB of memory in use. ENERGY: 4232200 3980.6173 20610.2552 14441.2356 243.3545 -202821.5126 2507.8003 0.0000 0.0000 52189.6074 -108848.6423 299.9344 -161038.2497 -108489.0178 300.3411 13.3939 36.7535 764826.1420 3.4868 3.6217 LDB: ============= START OF LOAD BALANCING ============== 13232.6 LDB: ============== END OF LOAD BALANCING =============== 13232.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13232.6 LDB: ============= START OF LOAD BALANCING ============== 13232.9 LDB: Largest compute 7026 load 0.030447 is 15.6% of average load 0.195166 LDB: Average compute 0.004396 is 2.3% of average load 0.195166 LDB: TIME 13232.9 LOAD: AVG 0.195166 MAX 0.218709 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.543 MB LDB: TIME 13232.9 LOAD: AVG 0.195166 MAX 0.218709 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.602 MB LDB: TIME 13232.9 LOAD: AVG 0.195166 MAX 0.216797 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.602 MB LDB: ============== END OF LOAD BALANCING =============== 13232.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13232.9 PRESSURE: 4232400 -28.0598 30.3425 66.8972 30.3416 -235.974 0.857667 66.897 0.85701 -214.143 GPRESSURE: 4232400 14.5756 56.2862 79.6965 -0.616195 -233.168 -2.64921 181.087 45.5198 -167.973 PRESSAVG: 4232400 15.2182 39.9234 11.2467 39.9234 5.44173 4.09605 11.2467 4.09608 -7.93641 GPRESSAVG: 4232400 12.2248 40.8192 12.4579 38.1887 6.38416 4.23663 10.7847 4.26273 -5.79455 TIMING: 4232400 CPU: 13220.8, 0.00317825/step Wall: 13220.8, 0.00317825/step, 0.677673 hours remaining, 235.031250 MB of memory in use. ENERGY: 4232400 3910.9827 20568.8618 14480.6127 252.3050 -202825.5752 2456.7232 0.0000 0.0000 52196.9002 -108959.1897 299.9763 -161156.0899 -108594.0890 299.6464 -159.3925 -128.8553 763860.8162 4.2412 4.2715 PRESSURE: 4232600 -86.2112 -24.1958 -231.898 -24.1973 -9.00543 66.3661 -231.898 66.3655 -23.1734 GPRESSURE: 4232600 -14.5814 -56.3294 -223.629 -44.9218 -20.4905 15.0371 -307.415 50.0557 15.6552 PRESSAVG: 4232600 19.7073 -13.128 34.9083 -13.1279 -26.4127 -5.3203 34.9082 -5.32031 -20.5106 GPRESSAVG: 4232600 21.482 -14.2154 33.9698 -15.4741 -28.086 -4.78991 35.3503 -5.6834 -20.7111 TIMING: 4232600 CPU: 13221.4, 0.00312223/step Wall: 13221.4, 0.00312223/step, 0.665555 hours remaining, 235.234375 MB of memory in use. ENERGY: 4232600 4035.2764 20551.7118 14522.8187 240.5799 -203027.0748 2657.3499 0.0000 0.0000 51942.7577 -109076.5804 298.5157 -161019.3381 -108723.2981 299.5458 -39.4634 -6.4722 761907.7047 -9.0720 -9.1050 PRESSURE: 4232800 101.525 -128.377 -78.2895 -128.377 -133.786 123.137 -78.2888 123.138 152.003 GPRESSURE: 4232800 132.193 -101.053 -68.2478 -138.529 -122.956 69.8555 -61.7063 78.1888 191.157 PRESSAVG: 4232800 -19.9479 -3.49069 -5.75276 -3.49071 47.5373 -37.589 -5.75278 -37.5891 -17.3009 GPRESSAVG: 4232800 -21.1036 -4.29737 -5.39162 -1.34592 48.4295 -36.6713 -5.13303 -40.4407 -17.399 TIMING: 4232800 CPU: 13222, 0.00314443/step Wall: 13222, 0.00314443/step, 0.670114 hours remaining, 235.359375 MB of memory in use. ENERGY: 4232800 4037.1573 20592.4869 14449.5376 238.4700 -202960.9621 2618.6023 0.0000 0.0000 51942.4394 -109082.2686 298.5139 -161024.7080 -108718.8724 299.8373 39.9141 66.7981 762422.8805 3.4295 3.3090 PRESSURE: 4233000 89.1751 95.2881 106.919 95.2886 188.443 -52.9872 106.92 -52.987 160.584 GPRESSURE: 4233000 183.451 60.3749 55.9934 140.754 186.859 23.7705 162.424 48.2496 135.539 PRESSAVG: 4233000 -35.4771 17.6848 8.26627 17.6848 34.1709 -13.5295 8.26624 -13.5295 -9.08737 GPRESSAVG: 4233000 -34.8063 18.1362 8.53836 17.8171 33.0418 -13.9778 7.18094 -10.3166 -9.75933 TIMING: 4233000 CPU: 13222.6, 0.00314812/step Wall: 13222.6, 0.00314812/step, 0.670725 hours remaining, 235.562500 MB of memory in use. ENERGY: 4233000 3974.9229 20442.8649 14446.9226 228.6781 -203414.6342 3013.0018 0.0000 0.0000 52171.6880 -109136.5558 299.8314 -161308.2438 -108776.4938 299.4859 146.0675 168.6160 762638.6938 -3.4645 -3.8413 PRESSURE: 4233200 -185.69 -63.4024 -152.144 -63.4033 -113.235 -54.7433 -152.144 -54.7433 -317.713 GPRESSURE: 4233200 -132.306 -66.7133 -44.0755 -170.379 -99.2301 -27.0512 -136.672 49.741 -301.101 PRESSAVG: 4233200 -39.3174 -23.7715 30.9219 -23.7716 34.1449 -52.7953 30.9219 -52.7953 16.6052 GPRESSAVG: 4233200 -39.9913 -22.0793 31.2812 -23.6719 35.2222 -54.3548 31.3385 -53.6045 16.6465 TIMING: 4233200 CPU: 13223.3, 0.00313028/step Wall: 13223.3, 0.00313028/step, 0.66675 hours remaining, 235.562500 MB of memory in use. ENERGY: 4233200 4062.6872 20448.6524 14536.7008 240.8063 -203274.9181 2750.0534 0.0000 0.0000 52058.8824 -109177.1356 299.1831 -161236.0180 -108820.8455 299.3657 -205.5460 -177.5454 762791.8329 3.8109 3.9591 PRESSURE: 4233400 -84.235 230.845 -13.513 230.844 274.986 16.8045 -13.5126 16.8054 102.778 GPRESSURE: 4233400 -94.7106 274.737 -48.2436 98.0688 295.276 -82.9844 43.4041 -56.627 176.507 PRESSAVG: 4233400 -64.3016 -9.05966 -11.4109 -9.05967 20.7058 -35.8745 -11.4108 -35.8745 46.564 GPRESSAVG: 4233400 -64.2202 -8.77959 -11.8621 -8.78826 20.5566 -34.1862 -12.61 -36.3668 47.1728 TIMING: 4233400 CPU: 13223.9, 0.00311978/step Wall: 13223.9, 0.00311978/step, 0.66434 hours remaining, 235.628906 MB of memory in use. ENERGY: 4233400 3907.8925 20530.2661 14454.9118 236.2584 -202989.7295 2498.0798 0.0000 0.0000 52166.1505 -109196.1706 299.7996 -161362.3211 -108841.7845 299.2353 97.8431 125.6910 762604.3074 0.9894 1.1697 PRESSURE: 4233600 -419.7 -30.7076 35.4366 -30.7079 52.0651 -41.1283 35.4365 -41.1283 -258.244 GPRESSURE: 4233600 -428.852 57.8305 43.4756 -113.601 90.5313 -20.3811 72.2051 -15.1259 -208.288 PRESSAVG: 4233600 -22.9275 13.8416 14.2164 13.8415 24.205 -75.3987 14.2164 -75.3987 12.354 GPRESSAVG: 4233600 -23.2455 12.4024 13.8462 13.2702 24.7483 -76.9059 14.1934 -75.1026 11.698 TIMING: 4233600 CPU: 13224.5, 0.00311009/step Wall: 13224.5, 0.00311009/step, 0.662103 hours remaining, 235.628906 MB of memory in use. ENERGY: 4233600 3974.8491 20503.6791 14410.9790 253.7246 -203098.2562 2605.0573 0.0000 0.0000 52007.6037 -109342.3634 298.8884 -161349.9671 -108980.8614 299.5401 -208.6264 -182.2030 761397.7307 4.5438 4.4003 PRESSURE: 4233800 -206.162 171.202 -213.186 171.202 -211.954 -34.5678 -213.186 -34.5684 113.355 GPRESSURE: 4233800 -90.5229 250.661 -309.039 1.89742 -189.197 -118.099 -121.675 26.4025 54.5692 PRESSAVG: 4233800 11.2367 7.50017 0.278501 7.50014 -34.0403 -5.26425 0.278429 -5.26421 5.15233 GPRESSAVG: 4233800 11.4438 9.9286 -0.03064 6.9902 -35.1703 -5.0317 1.49384 -6.61849 6.15904 TIMING: 4233800 CPU: 13225.1, 0.00311732/step Wall: 13225.1, 0.00311732/step, 0.66347 hours remaining, 235.628906 MB of memory in use. ENERGY: 4233800 4032.4907 20511.6428 14470.3324 253.8813 -203351.9627 2641.9190 0.0000 0.0000 52574.7821 -108866.9144 302.1480 -161441.6965 -108506.4345 299.7936 -101.5868 -75.0502 762472.9994 -5.8837 -5.8558 PRESSURE: 4234000 96.432 94.0914 -44.5134 94.0916 -2.82834 -2.06815 -44.5133 -2.0678 -129.429 GPRESSURE: 4234000 100.326 174.694 -96.5486 -42.1927 56.3812 57.8428 -140.702 -66.5708 -134.374 PRESSAVG: 4234000 -76.1459 16.4884 14.3913 16.4884 50.2438 15.1773 14.3913 15.1773 -2.09765 GPRESSAVG: 4234000 -75.6363 16.2972 14.5049 14.5835 50.2609 15.311 14.2418 16.7702 -2.65777 TIMING: 4234000 CPU: 13225.8, 0.00311585/step Wall: 13225.8, 0.00311585/step, 0.662984 hours remaining, 235.628906 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: 4234000 3922.6599 20415.0733 14429.4470 261.6950 -203131.7886 2850.9389 0.0000 0.0000 52110.8094 -109141.1651 299.4815 -161251.9745 -108780.1035 299.8771 -11.9418 7.4442 764291.2296 -9.3333 -9.3444 PRESSURE: 4234200 -393.018 -40.9739 160.923 -40.9744 101.908 137.668 160.923 137.669 44.2838 GPRESSURE: 4234200 -300.734 -56.4449 197.9 9.37135 49.831 115.94 17.6498 190.29 86.7877 PRESSAVG: 4234200 -40.0342 63.4006 46.6305 63.4006 -3.31361 62.0013 46.6304 62.0014 1.82478 GPRESSAVG: 4234200 -40.6256 62.3678 46.7561 66.1137 -2.01892 63.4676 45.4572 61.3102 1.48238 TIMING: 4234200 CPU: 13226.4, 0.00311163/step Wall: 13226.4, 0.00311163/step, 0.661912 hours remaining, 235.628906 MB of memory in use. ENERGY: 4234200 4118.8622 20370.7732 14396.4206 240.1328 -203018.4413 2585.2719 0.0000 0.0000 52157.9353 -109149.0453 299.7524 -161306.9806 -108791.8419 299.4686 -82.2752 -54.7051 764201.3274 -13.8410 -13.7207 PRESSURE: 4234400 -482.987 26.9389 276.2 26.9389 140.152 -190.103 276.2 -190.103 -61.9338 GPRESSURE: 4234400 -362.939 87.1423 265.322 4.58247 78.6986 -176.535 216.304 -135.505 -29.0163 PRESSAVG: 4234400 -63.939 -9.71281 34.742 -9.71276 22.9426 41.9737 34.742 41.9736 7.38137 GPRESSAVG: 4234400 -63.0493 -9.08892 34.1117 -10.2169 21.5229 41.6446 34.2502 41.2216 7.78006 TIMING: 4234400 CPU: 13227, 0.00311848/step Wall: 13227, 0.00311848/step, 0.663196 hours remaining, 235.628906 MB of memory in use. ENERGY: 4234400 3939.3722 20561.0541 14472.6006 251.8260 -202926.5672 2484.4036 0.0000 0.0000 51942.7283 -109274.5824 298.5156 -161217.3107 -108908.4340 298.7077 -134.9230 -104.4190 765008.1327 -11.2050 -11.2488 PRESSURE: 4234600 77.4459 256.331 -137.623 256.331 286.063 -170.674 -137.623 -170.674 -173.981 GPRESSURE: 4234600 87.9657 267.647 -83.5236 148.904 344.227 -43.95 -93.5071 -168.878 -158.77 PRESSAVG: 4234600 36.9338 -31.1197 20.4358 -31.1198 9.30457 -25.6884 20.4358 -25.6884 -0.371979 GPRESSAVG: 4234600 37.5492 -31.0621 21.233 -31.4296 8.09229 -25.0745 21.6193 -25.6075 -0.236401 TIMING: 4234600 CPU: 13227.6, 0.00311242/step Wall: 13227.6, 0.00311242/step, 0.661734 hours remaining, 235.628906 MB of memory in use. ENERGY: 4234600 3962.3587 20504.1129 14449.3851 252.3393 -203257.4479 2903.2670 0.0000 0.0000 51990.1858 -109195.7991 298.7883 -161185.9849 -108839.2716 298.8783 63.1760 91.1412 763388.6088 15.2888 15.1350 PRESSURE: 4234800 -276.058 -90.3884 112.327 -90.3881 -153.207 -98.051 112.329 -98.052 24.8194 GPRESSURE: 4234800 -210.633 -79.455 82.2972 -55.3568 -128.559 -139.81 25.5372 -135.835 4.4551 PRESSAVG: 4234800 -18.8252 3.74081 -37.6967 3.74082 26.9344 -35.5097 -37.6967 -35.5096 -4.55254 GPRESSAVG: 4234800 -20.4718 2.12816 -38.4438 6.02037 29.649 -37.6499 -37.7107 -34.0105 -5.66469 TIMING: 4234800 CPU: 13228.2, 0.00313291/step Wall: 13228.2, 0.00313291/step, 0.665918 hours remaining, 235.628906 MB of memory in use. ENERGY: 4234800 4057.9104 20621.0108 14375.0031 246.7403 -203508.1204 2891.3961 0.0000 0.0000 51987.0701 -109328.9896 298.7704 -161316.0597 -108975.0848 298.7413 -134.8155 -111.5788 763862.9029 1.1856 1.1708 PRESSURE: 4235000 302.347 273.309 142.213 273.309 256.145 -58.4046 142.212 -58.4042 -62.8546 GPRESSURE: 4235000 268.061 267.291 157.03 171.346 347.553 -97.3995 112.535 -67.667 -16.379 PRESSAVG: 4235000 -43.8464 17.698 23.8387 17.698 -6.34461 -21.0499 23.8386 -21.0499 -5.12271 GPRESSAVG: 4235000 -43.067 19.0409 25.0674 14.502 -8.4064 -21.4424 24.7477 -20.2896 -3.39343 TIMING: 4235000 CPU: 13228.9, 0.00311355/step Wall: 13228.9, 0.00311355/step, 0.661629 hours remaining, 235.628906 MB of memory in use. ENERGY: 4235000 4054.7233 20456.6234 14500.2949 239.9037 -203760.1716 3183.0786 0.0000 0.0000 51996.9816 -109328.5662 298.8274 -161325.5479 -108970.2007 298.7704 165.2128 199.7449 763264.6323 -18.4379 -18.2889 PRESSURE: 4235200 -302.277 163.775 34.3578 163.776 -142.387 -32.6584 34.3582 -32.658 -264.229 GPRESSURE: 4235200 -293.054 197.953 107.958 129.612 -28.971 69.2791 139.801 -75.4182 -286.315 PRESSAVG: 4235200 -9.15124 2.17238 -9.2075 2.17244 -23.3923 -16.6823 -9.20753 -16.6823 22.6352 GPRESSAVG: 4235200 -8.19305 0.330304 -10.4728 3.89053 -23.0738 -15.1989 -11.0491 -17.6101 21.6902 TIMING: 4235200 CPU: 13229.5, 0.00310176/step Wall: 13229.5, 0.00310176/step, 0.658951 hours remaining, 235.628906 MB of memory in use. ENERGY: 4235200 3967.9952 20547.0399 14524.2427 271.5315 -203094.4564 2368.3896 0.0000 0.0000 51726.3952 -109688.8624 297.2723 -161415.2576 -109342.2442 297.9968 -236.2978 -202.7800 762180.2052 -3.3028 -3.1922 PRESSURE: 4235400 -100.337 70.4649 -179.874 70.4653 -43.9813 62.7234 -179.874 62.7235 -559.469 GPRESSURE: 4235400 -28.2727 -0.498764 -149.857 63.862 -74.5459 55.1155 -83.6204 21.8034 -487.33 PRESSAVG: 4235400 -34.9864 21.3942 35.5384 21.3942 46.072 15.3331 35.5384 15.3331 0.290762 GPRESSAVG: 4235400 -34.9565 23.8585 37.0921 22.2645 46.2651 13.1627 37.4974 15.9585 0.357178 TIMING: 4235400 CPU: 13230.1, 0.00310134/step Wall: 13230.1, 0.00310134/step, 0.658689 hours remaining, 235.628906 MB of memory in use. ENERGY: 4235400 4014.3968 20423.8703 14427.2746 241.1363 -203554.2312 2648.4758 0.0000 0.0000 51969.1441 -109829.9332 298.6674 -161799.0773 -109465.3171 297.7327 -234.5958 -196.7161 761646.5492 3.7921 3.8886 PRESSURE: 4235600 -222.296 -216.765 38.1102 -216.766 -211.38 -245.823 38.1103 -245.823 176.029 GPRESSURE: 4235600 -190.404 -204.326 -30.557 -105.945 -178.185 -261.732 169.031 -260.747 179.951 PRESSAVG: 4235600 27.1907 9.87586 -7.26586 9.87583 -30.8973 -20.2957 -7.26582 -20.2957 14.3388 GPRESSAVG: 4235600 27.1189 7.47672 -8.51873 9.38401 -31.6667 -20.433 -7.14136 -19.1559 14.9662 TIMING: 4235600 CPU: 13230.7, 0.00310967/step Wall: 13230.7, 0.00310967/step, 0.660286 hours remaining, 235.628906 MB of memory in use. ENERGY: 4235600 3983.5889 20460.1160 14498.0608 256.9558 -203528.4903 2727.3516 0.0000 0.0000 51909.3198 -109693.0974 298.3236 -161602.4172 -109334.2440 297.9502 -85.8826 -62.8795 762564.0443 3.5441 3.4728 PRESSURE: 4235800 16.1366 -155.157 -83.2586 -155.157 -84.1753 8.11203 -83.2591 8.11163 30.582 GPRESSURE: 4235800 27.0622 -100.223 -140.452 -80.8517 -45.6681 78.9816 -0.614101 33.9461 55.009 PRESSAVG: 4235800 0.711891 1.77963 27.048 1.77961 -12.0381 17.7301 27.048 17.7302 20.1048 GPRESSAVG: 4235800 0.290185 2.43149 28.5674 3.97153 -10.6846 18.1927 26.8247 17.3725 19.1779 TIMING: 4235800 CPU: 13231.4, 0.00311413/step Wall: 13231.4, 0.00311413/step, 0.66106 hours remaining, 235.628906 MB of memory in use. ENERGY: 4235800 4025.5013 20529.0557 14480.6813 256.2052 -203277.9966 2575.2412 0.0000 0.0000 51802.6175 -109608.6945 297.7104 -161411.3120 -109257.6086 298.0306 -12.4856 12.1344 762236.2540 2.9262 2.9278 PRESSURE: 4236000 -70.2931 176.194 222.89 176.194 -106.033 -40.7586 222.89 -40.7589 228.534 GPRESSURE: 4236000 -11.6643 153.205 279.404 247.025 -56.0636 25.5454 118.103 -89.9928 209.121 PRESSAVG: 4236000 17.9003 -2.9635 -4.6267 -2.96346 5.21187 -47.998 -4.62671 -47.9979 17.9314 GPRESSAVG: 4236000 17.4902 -2.26868 -5.68797 -4.12632 6.13779 -46.7582 -4.89263 -49.5815 17.6216 TIMING: 4236000 CPU: 13232, 0.00309494/step Wall: 13232, 0.00309494/step, 0.656815 hours remaining, 235.628906 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: 4236000 3991.4176 20301.7722 14488.5740 255.3833 -203722.0739 2848.2829 0.0000 0.0000 52216.5803 -109620.0637 300.0894 -161836.6439 -109251.2136 298.2751 17.4028 47.1311 762798.6651 13.6812 13.7499 PRESSURE: 4236200 -1.35009 -25.4316 -206.969 -25.4317 49.2595 83.3513 -206.969 83.352 -1.72566 GPRESSURE: 4236200 49.5986 13.9101 -191.497 8.55562 78.9891 76.8243 -70.3153 190.091 19.2661 PRESSAVG: 4236200 17.3764 21.2975 -27.0945 21.2975 -52.625 38.8679 -27.0945 38.8677 -0.645278 GPRESSAVG: 4236200 17.9777 22.9043 -27.886 19.8514 -53.1746 39.0795 -26.2144 39.7172 -0.982641 TIMING: 4236200 CPU: 13232.6, 0.00310725/step Wall: 13232.6, 0.00310725/step, 0.659256 hours remaining, 235.628906 MB of memory in use. ENERGY: 4236200 3938.6013 20409.2242 14438.0942 221.9565 -203244.3394 2630.9430 0.0000 0.0000 51983.4029 -109622.1172 298.7493 -161605.5202 -109258.8239 298.1790 15.3946 49.2846 765513.5870 -11.9646 -12.0598 LDB: ============= START OF LOAD BALANCING ============== 13245.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13245.1 LDB: =============== DONE WITH MIGRATION ================ 13245.1 LDB: ============= START OF LOAD BALANCING ============== 13245.4 LDB: Largest compute 7026 load 0.029309 is 15.0% of average load 0.195209 LDB: Average compute 0.004393 is 2.3% of average load 0.195209 LDB: TIME 13245.4 LOAD: AVG 0.195209 MAX 0.216343 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.102 MB LDB: TIME 13245.4 LOAD: AVG 0.195209 MAX 0.216343 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.305 MB LDB: TIME 13245.4 LOAD: AVG 0.195209 MAX 0.216343 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.305 MB LDB: ============== END OF LOAD BALANCING =============== 13245.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13245.4 PRESSURE: 4236400 -328.337 54.1936 -332.095 54.1937 -187.208 -22.0515 -332.094 -22.051 145.287 GPRESSURE: 4236400 -280.587 54.3381 -327.576 66.2715 -108.159 -57.1561 -213.471 2.3569 106.157 PRESSAVG: 4236400 67.8973 -16.6377 12.9646 -16.6378 -50.0416 24.314 12.9646 24.314 19.2067 GPRESSAVG: 4236400 67.7125 -17.7078 14.0989 -17.2299 -50.0111 23.0878 11.7885 24.5056 19.3494 TIMING: 4236400 CPU: 13233.2, 0.0031845/step Wall: 13233.2, 0.0031845/step, 0.675468 hours remaining, 234.261719 MB of memory in use. ENERGY: 4236400 3962.6186 20298.3856 14448.9360 251.3268 -203296.9069 2872.6241 0.0000 0.0000 51563.2928 -109899.7231 296.3350 -161463.0158 -109534.0194 297.8248 -123.4192 -94.1964 765058.9983 12.3541 12.3503 PRESSURE: 4236600 275.903 53.6992 -215.053 53.6985 -183.486 77.5312 -215.054 77.5329 48.0201 GPRESSURE: 4236600 312.882 13.7807 -187.01 101.731 -221.165 78.1379 -304.262 1.58406 123.819 PRESSAVG: 4236600 11.5714 -26.097 -81.4969 -26.097 6.03033 2.73502 -81.4969 2.73502 -7.75939 GPRESSAVG: 4236600 12.6492 -22.7681 -80.523 -27.252 5.32363 2.77564 -81.9617 1.26107 -8.27832 TIMING: 4236600 CPU: 13233.9, 0.00311243/step Wall: 13233.9, 0.00311243/step, 0.660007 hours remaining, 234.460938 MB of memory in use. ENERGY: 4236600 3942.1699 20451.2355 14491.4255 258.5824 -203842.8458 3049.5312 0.0000 0.0000 51976.3795 -109673.5219 298.7090 -161649.9014 -109316.0377 297.7030 46.8125 71.8454 764134.8619 3.2808 3.2315 PRESSURE: 4236800 11.3814 -33.3184 -51.7674 -33.319 36.8849 -28.0448 -51.7663 -28.0461 -59.349 GPRESSURE: 4236800 36.2123 -8.93301 20.0371 84.9153 51.4621 -46.7392 -128.428 10.2271 -33.9887 PRESSAVG: 4236800 0.857162 -9.32359 -36.866 -9.32355 14.417 -42.5228 -36.866 -42.5228 -0.567369 GPRESSAVG: 4236800 -0.287701 -11.9905 -37.8874 -8.94371 15.1923 -43.1574 -37.5674 -41.1848 -0.0934793 TIMING: 4236800 CPU: 13234.5, 0.00312957/step Wall: 13234.5, 0.00312957/step, 0.663468 hours remaining, 234.460938 MB of memory in use. ENERGY: 4236800 4014.9605 20432.9942 14462.4621 256.8530 -203631.4076 2734.5683 0.0000 0.0000 51910.5498 -109819.0197 298.3306 -161729.5695 -109469.2190 298.2964 -3.6943 17.8952 763810.7735 4.9023 4.9370 PRESSURE: 4237000 -321.768 -277.678 -46.7233 -277.678 -138.217 -14.2902 -46.7237 -14.2892 -357.761 GPRESSURE: 4237000 -257.321 -260.661 -43.56 -242.15 -143.601 37.3816 58.7433 24.3503 -342.488 PRESSAVG: 4237000 39.1789 -32.1448 15.4827 -32.1448 -20.7136 -1.09423 15.4828 -1.09422 10.9831 GPRESSAVG: 4237000 39.9789 -33.5192 16.0217 -29.9678 -20.9334 1.0152 16.7122 -1.93782 10.6654 TIMING: 4237000 CPU: 13235.1, 0.00310335/step Wall: 13235.1, 0.00310335/step, 0.657737 hours remaining, 234.460938 MB of memory in use. ENERGY: 4237000 4062.2148 20502.1038 14523.5782 253.6980 -203926.9988 2731.5002 0.0000 0.0000 52135.5454 -109718.3583 299.6237 -161853.9037 -109346.3693 297.7033 -272.5821 -247.8033 762767.3518 9.8161 9.9037 PRESSURE: 4237200 125.49 89.4957 343.5 89.4961 253.571 119.603 343.499 119.604 -321.965 GPRESSURE: 4237200 223.809 57.8636 374.25 59.9153 161.28 40.2366 313.176 63.9419 -255.509 PRESSAVG: 4237200 -73.7096 -52.153 20.0722 -52.153 34.9279 16.2103 20.0722 16.2104 -7.98952 GPRESSAVG: 4237200 -73.8442 -51.7895 20.7861 -53.8533 34.3652 14.926 21.2915 14.7931 -7.02044 TIMING: 4237200 CPU: 13235.7, 0.00312139/step Wall: 13235.7, 0.00312139/step, 0.661388 hours remaining, 234.460938 MB of memory in use. ENERGY: 4237200 4022.4231 20495.8177 14546.4450 233.2710 -203786.3481 3099.2692 0.0000 0.0000 51679.1746 -109709.9474 297.0009 -161389.1220 -109358.8520 297.8698 19.0322 43.1934 762257.4654 -15.5904 -15.4998 PRESSURE: 4237400 -114.966 7.53334 -8.5794 7.53393 -318.425 46.9986 -8.57939 46.9979 40.0638 GPRESSURE: 4237400 -145.948 -47.9843 -11.9134 113.431 -220.496 5.11977 -152.442 109.069 56.9699 PRESSAVG: 4237400 -48.2793 -45.8032 -22.6516 -45.8032 39.6721 47.3933 -22.6516 47.3932 -12.8228 GPRESSAVG: 4237400 -48.1683 -44.8826 -23.7097 -44.5507 39.7194 47.7191 -25.6684 47.7935 -12.8288 TIMING: 4237400 CPU: 13236.4, 0.00311251/step Wall: 13236.4, 0.00311251/step, 0.659333 hours remaining, 234.460938 MB of memory in use. ENERGY: 4237400 3966.9650 20509.6388 14492.7095 228.1002 -203031.7827 2454.9427 0.0000 0.0000 51913.6687 -109465.7578 298.3486 -161379.4265 -109096.6270 297.9518 -131.1089 -103.1581 761963.3562 -7.1433 -7.0926 PRESSURE: 4237600 3.16986 -152.721 -157.533 -152.719 121.922 -218.763 -157.533 -218.763 -254.666 GPRESSURE: 4237600 26.3299 -298.991 -111.037 -273.893 242.609 -252.557 -62.3014 -148.687 -302.021 PRESSAVG: 4237600 -21.3119 -59.5622 -18.8717 -59.5621 30.969 6.18373 -18.8717 6.18376 -19.0623 GPRESSAVG: 4237600 -21.4502 -60.1858 -21.8445 -58.4888 32.02 7.43533 -16.1085 4.9641 -20.5441 TIMING: 4237600 CPU: 13237, 0.00313738/step Wall: 13237, 0.00313738/step, 0.664427 hours remaining, 234.460938 MB of memory in use. ENERGY: 4237600 3983.9444 20428.1075 14505.4296 237.6358 -203406.9983 2800.4559 0.0000 0.0000 52003.1421 -109448.2829 298.8628 -161451.4251 -109095.8462 298.3392 -43.1914 -11.0274 763161.5567 -3.1350 -3.3248 PRESSURE: 4237800 -197.362 -9.8421 57.3127 -9.84229 -184.843 -47.3401 57.3127 -47.34 248.799 GPRESSURE: 4237800 -158.964 21.5599 36.3844 50.4503 -98.6793 -19.7175 241.299 -171.196 198.145 PRESSAVG: 4237800 -26.306 -51.977 14.9262 -51.977 29.6789 -30.2732 14.9263 -30.2732 -17.3935 GPRESSAVG: 4237800 -25.7453 -50.6796 15.9033 -53.5121 28.1316 -30.0802 16.2304 -28.4485 -16.4579 TIMING: 4237800 CPU: 13237.6, 0.00314845/step Wall: 13237.6, 0.00314845/step, 0.666596 hours remaining, 234.460938 MB of memory in use. ENERGY: 4237800 3964.8610 20397.8658 14513.6500 275.3804 -203379.2566 2815.6930 0.0000 0.0000 52006.5659 -109405.2405 298.8824 -161411.8064 -109040.0397 298.7952 -44.4686 -19.8330 763023.6329 -4.6736 -4.6905 PRESSURE: 4238000 -259.315 84.5237 294.273 84.5228 -29.5171 104.251 294.273 104.25 -283.971 GPRESSURE: 4238000 -213.045 95.7389 254.836 -34.5951 -57.6966 10.0687 61.0474 64.6466 -216.189 PRESSAVG: 4238000 -32.2428 7.84213 38.1799 7.84215 -3.41847 -13.1056 38.1799 -13.1056 13.7369 GPRESSAVG: 4238000 -32.8165 5.34809 39.6721 7.63974 -2.92058 -16.0407 34.1915 -14.2405 14.3452 TIMING: 4238000 CPU: 13238.2, 0.00312219/step Wall: 13238.2, 0.00312219/step, 0.660864 hours remaining, 234.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4238000 3961.1773 20424.0234 14504.0593 258.4118 -203139.3138 2775.7474 0.0000 0.0000 51932.3899 -109283.5046 298.4562 -161215.8945 -108925.3708 298.5510 -190.9343 -162.3103 763691.1929 -7.3081 -7.1306 PRESSURE: 4238200 -302.555 164.742 -65.7728 164.743 -279.056 198.625 -65.7736 198.625 181.912 GPRESSURE: 4238200 -217.329 144.505 -36.9927 127.322 -275.177 233.008 4.3113 176.22 180.753 PRESSAVG: 4238200 -19.005 -28.5747 19.8653 -28.5747 8.4549 62.8278 19.8653 62.8278 -1.19596 GPRESSAVG: 4238200 -18.7863 -28.8894 20.4206 -26.4287 8.82872 65.4288 22.4714 63.1587 -2.4724 TIMING: 4238200 CPU: 13238.9, 0.00312076/step Wall: 13238.9, 0.00312076/step, 0.660387 hours remaining, 234.460938 MB of memory in use. ENERGY: 4238200 3892.6785 20492.1697 14427.3621 259.3033 -202685.8732 2289.3622 0.0000 0.0000 51971.8884 -109353.1090 298.6832 -161324.9975 -108988.4640 298.9401 -133.2331 -103.9176 763721.5651 -3.9154 -4.1433 PRESSURE: 4238400 220.013 -118.889 -7.46735 -118.888 -206.029 -28.1783 -7.46796 -28.1777 -124.934 GPRESSURE: 4238400 210.626 -40.6607 129.731 -104.039 -167.543 -102.05 18.48 53.9255 -47.2828 PRESSAVG: 4238400 7.0382 -30.0466 32.0835 -30.0466 -14.4851 -6.63622 32.0835 -6.63627 -15.0481 GPRESSAVG: 4238400 7.16342 -26.5359 32.0215 -32.2284 -15.1343 -8.5214 33.3647 -5.71844 -14.3997 TIMING: 4238400 CPU: 13239.5, 0.00312588/step Wall: 13239.5, 0.00312588/step, 0.661296 hours remaining, 234.460938 MB of memory in use. ENERGY: 4238400 3898.3411 20492.6119 14459.9707 257.6365 -202916.0412 2482.6495 0.0000 0.0000 52077.0778 -109247.7537 299.2877 -161324.8315 -108875.7382 299.4100 -36.9831 -1.3998 763766.1788 -7.4983 -7.4569 PRESSURE: 4238600 126.474 -69.12 -3.01304 -69.1206 -88.2478 126.196 -3.0131 126.198 -300.023 GPRESSURE: 4238600 209.416 -96.9945 1.94287 -21.9172 -62.3336 177.51 -57.69 60.0955 -333.326 PRESSAVG: 4238600 38.3756 33.4386 -1.0353 33.4386 -55.2076 32.5625 -1.03525 32.5626 19.3592 GPRESSAVG: 4238600 39.0582 33.0173 -1.5347 33.0159 -56.4461 35.4522 -1.26296 31.0288 19.7439 TIMING: 4238600 CPU: 13240.1, 0.0031194/step Wall: 13240.1, 0.0031194/step, 0.659752 hours remaining, 234.460938 MB of memory in use. ENERGY: 4238600 4054.4752 20479.6412 14394.1347 236.0120 -203391.6192 2933.6730 0.0000 0.0000 52171.2770 -109122.4062 299.8290 -161293.6832 -108758.0939 299.4647 -87.2656 -62.0810 761666.8718 0.8424 0.7853 PRESSURE: 4238800 125.749 -160.159 -150.972 -160.159 249.067 233.514 -150.972 233.514 302.48 GPRESSURE: 4238800 179.398 -160.879 -196.397 -176.993 186.655 176.614 -175.618 159.399 406.29 PRESSAVG: 4238800 -20.9316 43.5804 42.9218 43.5803 14.436 30.4984 42.9217 30.4983 11.2804 GPRESSAVG: 4238800 -21.7144 42.5707 43.1652 46.4786 15.5749 27.2272 42.2208 32.8644 10.741 TIMING: 4238800 CPU: 13240.7, 0.0031217/step Wall: 13240.7, 0.0031217/step, 0.660065 hours remaining, 234.460938 MB of memory in use. ENERGY: 4238800 3994.0016 20527.5621 14470.0806 253.6761 -203349.1968 3043.4586 0.0000 0.0000 51954.4153 -109106.0026 298.5827 -161060.4178 -108750.0662 299.4881 225.7654 257.4477 761709.1281 1.5949 1.5338 PRESSURE: 4239000 -144.381 -159.195 -293.126 -159.195 -440.318 -88.1795 -293.125 -88.1783 -75.7287 GPRESSURE: 4239000 -77.4212 -68.1965 -251.665 -98.5702 -380.227 -105.815 -276.315 56.0034 -101.843 PRESSAVG: 4239000 -31.6743 -33.3325 -51.7823 -33.3325 58.1522 -8.41717 -51.7823 -8.41721 13.5131 GPRESSAVG: 4239000 -31.5969 -32.5624 -52.8946 -35.7411 57.552 -6.77457 -51.2547 -6.40574 14.1362 TIMING: 4239000 CPU: 13241.4, 0.00312596/step Wall: 13241.4, 0.00312596/step, 0.660792 hours remaining, 234.460938 MB of memory in use. ENERGY: 4239000 4061.1732 20465.4725 14441.6714 248.0593 -203078.0407 2489.8627 0.0000 0.0000 52027.9607 -109343.8410 299.0054 -161371.8016 -108985.9066 299.2136 -220.1425 -186.4968 764395.2784 13.3303 13.3638 PRESSURE: 4239200 -190.58 110.278 31.506 110.278 -60.5425 -87.691 31.5053 -87.69 5.82983 GPRESSURE: 4239200 -167.673 52.7268 94.0532 70.0488 -23.197 -109.731 -61.3919 -109.084 21.9452 PRESSAVG: 4239200 -57.6075 -24.9555 -10.2338 -24.9555 47.0357 -17.9291 -10.2338 -17.9291 -2.69157 GPRESSAVG: 4239200 -58.3903 -25.3589 -9.96822 -23.4532 47.6552 -19.3176 -13.0645 -18.8233 -2.66193 TIMING: 4239200 CPU: 13242, 0.00313556/step Wall: 13242, 0.00313556/step, 0.662648 hours remaining, 234.460938 MB of memory in use. ENERGY: 4239200 3975.7337 20597.7489 14496.0011 239.4053 -202613.5842 2225.5186 0.0000 0.0000 51969.5648 -109109.6118 298.6698 -161079.1766 -108754.5856 298.7536 -81.7641 -56.3083 762984.6743 -4.4211 -4.4657 PRESSURE: 4239400 26.6578 -85.25 149.526 -85.2507 139.415 271.11 149.526 271.11 -192.69 GPRESSURE: 4239400 50.768 -100.466 198.53 64.7264 195.155 284.809 169.423 115.923 -188.278 PRESSAVG: 4239400 13.022 -48.8018 7.51843 -48.8018 -16.3569 -2.01511 7.51842 -2.01511 5.08019 GPRESSAVG: 4239400 13.898 -49.9237 6.6275 -48.3143 -17.2261 0.525371 7.9692 -5.70494 5.10854 TIMING: 4239400 CPU: 13242.6, 0.0031293/step Wall: 13242.6, 0.0031293/step, 0.661151 hours remaining, 234.460938 MB of memory in use. ENERGY: 4239400 4036.1860 20421.5661 14435.8406 253.4314 -203233.8918 2560.4315 0.0000 0.0000 52273.6539 -109252.7822 300.4174 -161526.4362 -108892.9631 299.0891 -8.8723 19.2152 762752.3076 0.5818 0.5935 PRESSURE: 4239600 13.8788 35.0117 11.1116 35.0116 111.869 -107.884 11.1124 -107.885 164.299 GPRESSURE: 4239600 64.9695 58.3586 30.8465 115.308 164.517 -258.814 36.5464 60.9284 151.058 PRESSAVG: 4239600 -3.0363 10.7764 7.09755 10.7764 -11.1298 -19.5406 7.0976 -19.5406 -11.7604 GPRESSAVG: 4239600 -2.06161 11.8139 9.07741 11.0627 -11.0195 -20.8697 7.81005 -17.3712 -12.745 TIMING: 4239600 CPU: 13243.2, 0.00312895/step Wall: 13243.2, 0.00312895/step, 0.660904 hours remaining, 234.460938 MB of memory in use. ENERGY: 4239600 3989.9191 20510.5161 14428.3467 242.4820 -203261.0543 2828.7166 0.0000 0.0000 51926.8066 -109334.2672 298.4241 -161261.0737 -108979.9021 299.4228 96.6821 126.8481 763114.8167 -8.6422 -8.6087 PRESSURE: 4239800 -346.3 -77.9476 -118.988 -77.9474 -247.019 132.56 -118.988 132.561 -150.06 GPRESSURE: 4239800 -276.787 -150.736 -146.013 -62.4719 -205.883 118.267 -81.8594 130.512 -168.709 PRESSAVG: 4239800 -53.3265 2.60674 17.0619 2.60671 37.6456 14.2848 17.0618 14.2848 24.6803 GPRESSAVG: 4239800 -53.2212 3.21312 16.0536 2.20348 37.9434 15.6721 19.179 13.174 24.4605 TIMING: 4239800 CPU: 13243.9, 0.00312791/step Wall: 13243.9, 0.00312791/step, 0.660511 hours remaining, 234.460938 MB of memory in use. ENERGY: 4239800 4008.7096 20707.1061 14441.9799 240.0907 -203211.2950 2393.8502 0.0000 0.0000 52072.0884 -109347.4699 299.2590 -161419.5584 -108983.7145 299.1743 -247.7928 -217.1263 760934.4029 2.9998 3.0609 PRESSURE: 4240000 135.277 46.0214 -232.199 46.0219 396.914 -70.597 -232.2 -70.5966 -70.1217 GPRESSURE: 4240000 213.83 87.088 -204.033 58.9836 348.117 -109.435 -388.478 77.4385 -8.75908 PRESSAVG: 4240000 -37.9896 -13.3494 -47.9703 -13.3494 74.9219 -1.19766 -47.9702 -1.19763 -1.97673 GPRESSAVG: 4240000 -39.3078 -15.9072 -47.3042 -14.6836 74.0956 -4.8574 -50.2631 0.278269 0.347098 TIMING: 4240000 CPU: 13244.5, 0.00312946/step Wall: 13244.5, 0.00312946/step, 0.660663 hours remaining, 234.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4240000 3977.5910 20448.8066 14505.2123 261.2659 -203353.1072 2674.9455 0.0000 0.0000 51952.9807 -109532.3053 298.5745 -161485.2859 -109159.6971 298.6975 154.0233 184.3961 762216.5614 11.6519 11.7117 PRESSURE: 4240200 61.0661 9.70736 154.08 9.70733 -34.0361 185.453 154.08 185.454 -230.92 GPRESSURE: 4240200 25.4312 47.0763 134.994 66.6337 4.34196 119.445 220.761 247.586 -157.625 PRESSAVG: 4240200 -24.8791 -6.82101 -15.7827 -6.82101 71.0011 -15.4603 -15.7827 -15.4603 -11.8273 GPRESSAVG: 4240200 -23.3932 -5.86251 -17.7899 -5.56503 72.7508 -12.1163 -14.078 -16.5275 -13.9648 TIMING: 4240200 CPU: 13245.1, 0.00310347/step Wall: 13245.1, 0.00310347/step, 0.655005 hours remaining, 234.460938 MB of memory in use. ENERGY: 4240200 3978.0376 20551.0676 14456.4050 253.4061 -203580.8417 2709.1222 0.0000 0.0000 52151.3216 -109481.4816 299.7144 -161632.8032 -109113.4707 298.4988 -67.9632 -42.6174 761861.8773 11.4316 11.7976 LDB: ============= START OF LOAD BALANCING ============== 13257.6 LDB: ============== END OF LOAD BALANCING =============== 13257.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13257.6 LDB: ============= START OF LOAD BALANCING ============== 13257.9 LDB: Largest compute 7007 load 0.029952 is 15.3% of average load 0.195264 LDB: Average compute 0.004388 is 2.2% of average load 0.195264 LDB: TIME 13257.9 LOAD: AVG 0.195264 MAX 0.215556 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.48 MB LDB: TIME 13257.9 LOAD: AVG 0.195264 MAX 0.215556 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.559 MB LDB: TIME 13257.9 LOAD: AVG 0.195264 MAX 0.215556 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.559 MB LDB: ============== END OF LOAD BALANCING =============== 13257.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13257.9 PRESSURE: 4240400 -164.159 135.173 177.935 135.173 -144.468 -40.7213 177.934 -40.7217 -83.6522 GPRESSURE: 4240400 -104.803 117.857 69.1917 14.9599 -108.885 -24.061 79.2407 -34.7317 -78.6748 PRESSAVG: 4240400 -5.88716 -47.8892 -10.5473 -47.8892 -1.96239 -14.8372 -10.5474 -14.8373 -5.50597 GPRESSAVG: 4240400 -7.0541 -46.6173 -10.4846 -50.5317 -2.75523 -15.7044 -9.87552 -16.2623 -4.1285 TIMING: 4240400 CPU: 13245.7, 0.00317753/step Wall: 13245.7, 0.00317753/step, 0.670458 hours remaining, 234.250000 MB of memory in use. ENERGY: 4240400 3934.4498 20571.6952 14480.2934 247.7149 -203736.1470 2847.4866 0.0000 0.0000 52076.4463 -109578.0608 299.2841 -161654.5071 -109211.2619 299.0332 -130.7596 -97.4541 761172.4640 -4.4518 -4.6459 PRESSURE: 4240600 74.0831 47.0425 -262.675 47.0425 -64.3122 92.2042 -262.676 92.2031 217.677 GPRESSURE: 4240600 83.2227 17.6848 -289.088 128.471 17.9182 111.253 -242.806 -31.5208 228.32 PRESSAVG: 4240600 8.14508 47.3093 9.21318 47.3092 8.79169 9.08776 9.21318 9.08778 11.1437 GPRESSAVG: 4240600 6.69519 46.9246 8.57952 49.7374 9.7978 9.52735 6.30961 10.1908 10.9809 TIMING: 4240600 CPU: 13246.4, 0.00310587/step Wall: 13246.4, 0.00310587/step, 0.655165 hours remaining, 234.453125 MB of memory in use. ENERGY: 4240600 3987.3457 20388.3039 14478.2031 240.8172 -203141.6845 2498.6132 0.0000 0.0000 51910.2472 -109638.1541 298.3289 -161548.4013 -109275.1704 298.7663 75.8161 109.8204 761523.4276 9.3602 9.1579 PRESSURE: 4240800 324.495 73.6953 -40.1926 73.6957 138.282 -14.9477 -40.1931 -14.9467 191.836 GPRESSURE: 4240800 311.014 149.987 -95.564 89.1214 234.669 34.5692 -125.123 -51.7275 191.481 PRESSAVG: 4240800 -61.2438 42.3245 -38.07 42.3244 27.0782 3.46581 -38.07 3.46586 -22.5085 GPRESSAVG: 4240800 -59.4014 43.3884 -36.4411 42.8995 25.0862 5.20363 -39.2079 3.99355 -21.3045 TIMING: 4240800 CPU: 13247, 0.0031218/step Wall: 13247, 0.0031218/step, 0.658353 hours remaining, 234.453125 MB of memory in use. ENERGY: 4240800 3962.0204 20540.5315 14417.0577 248.2676 -203444.8527 2747.5004 0.0000 0.0000 52160.5979 -109368.8773 299.7677 -161529.4752 -109008.1697 298.5890 218.2045 245.7216 760871.0492 -18.8914 -18.5399 PRESSURE: 4241000 -167.666 264.54 -58.2451 264.541 -94.7924 -47.8657 -58.2448 -47.8661 217.849 GPRESSURE: 4241000 -48.6041 159.492 -14.7221 239.347 -61.2345 -172.088 -200.109 -23.6688 173.67 PRESSAVG: 4241000 -32.5273 46.9123 -61.6582 46.9123 23.315 -6.91766 -61.6582 -6.9177 -26.1082 GPRESSAVG: 4241000 -31.9188 45.9887 -62.4147 45.1966 25.9569 -8.57563 -60.7878 -9.33719 -29.0392 TIMING: 4241000 CPU: 13247.6, 0.00312854/step Wall: 13247.6, 0.00312854/step, 0.659601 hours remaining, 234.464844 MB of memory in use. ENERGY: 4241000 3967.8987 20522.0852 14505.5632 249.7670 -202924.0796 2538.2901 0.0000 0.0000 51874.7200 -109265.7555 298.1247 -161140.4755 -108903.3959 299.0575 -14.8696 21.2770 762364.9048 -11.7735 -11.6670 PRESSURE: 4241200 -165.059 -44.2807 -140.467 -44.2808 209.701 -104.915 -140.468 -104.915 190.133 GPRESSURE: 4241200 -88.0858 -82.3492 -143.935 -13.0614 174.974 -129.673 -28.014 -128.385 213.388 PRESSAVG: 4241200 -23.0115 4.09934 -49.3818 4.09938 -17.4685 5.3953 -49.3818 5.39531 14.6617 GPRESSAVG: 4241200 -21.6414 3.67338 -49.6269 6.64779 -19.8377 4.57262 -46.6753 5.90854 15.7492 TIMING: 4241200 CPU: 13248.2, 0.00312927/step Wall: 13248.2, 0.00312927/step, 0.659581 hours remaining, 234.464844 MB of memory in use. ENERGY: 4241200 3964.6088 20486.1218 14459.9580 249.1908 -203303.8685 2834.1096 0.0000 0.0000 52169.7948 -109140.0848 299.8205 -161309.8796 -108773.8502 299.2798 78.2586 100.0921 762038.1153 -8.6061 -8.5766 PRESSURE: 4241400 -131.002 -120.585 -68.2643 -120.585 -148.34 322.023 -68.2636 322.022 -57.0284 GPRESSURE: 4241400 -46.4674 -68.8303 -159.888 -197.489 -220.615 356.656 35.1569 395.832 7.19767 PRESSAVG: 4241400 15.4739 43.0517 -41.215 43.0516 18.7027 7.89993 -41.215 7.89996 -0.871569 GPRESSAVG: 4241400 15.0454 43.1565 -41.2807 41.6466 19.3631 8.23773 -43.5649 9.12842 -0.641832 TIMING: 4241400 CPU: 13248.9, 0.00310326/step Wall: 13248.9, 0.00310326/step, 0.653925 hours remaining, 234.464844 MB of memory in use. ENERGY: 4241400 3973.6677 20458.4512 14413.4604 249.8240 -202794.6652 2292.0756 0.0000 0.0000 52097.2279 -109309.9583 299.4035 -161407.1862 -108940.7024 299.4009 -112.1235 -86.6282 763045.8023 11.1017 11.2556 PRESSURE: 4241600 472.268 -39.4519 -20.2756 -39.4506 -248.01 27.6073 -20.2752 27.6078 -39.1391 GPRESSURE: 4241600 440.449 -60.5845 16.4924 76.7561 -132.831 36.6557 65.7326 -118.776 -50.3199 PRESSAVG: 4241600 20.615 -35.3737 -16.3861 -35.3737 -21.9893 7.55353 -16.3862 7.55343 14.9206 GPRESSAVG: 4241600 18.9062 -34.1995 -16.122 -36.5698 -20.6306 7.77028 -15.2271 8.86539 15.2287 TIMING: 4241600 CPU: 13249.5, 0.00311254/step Wall: 13249.5, 0.00311254/step, 0.655708 hours remaining, 234.464844 MB of memory in use. ENERGY: 4241600 3996.6273 20601.8823 14521.7021 249.1932 -203616.6903 2971.2363 0.0000 0.0000 52025.0163 -109251.0328 298.9885 -161276.0491 -108880.9069 298.7053 61.7063 85.7660 761684.9280 4.5154 4.5015 PRESSURE: 4241800 109.225 -210.509 -71.8057 -210.509 -4.97564 -57.9838 -71.8053 -57.9834 100.423 GPRESSURE: 4241800 102.077 -177.601 -49.9812 -131.509 160.203 -48.4015 -84.5866 -72.5499 17.6421 PRESSAVG: 4241800 -22.5895 -21.2243 5.66979 -21.2242 -0.194462 -49.9531 5.6698 -49.9532 -18.0694 GPRESSAVG: 4241800 -21.8571 -21.791 5.64578 -19.8242 0.132326 -52.2599 7.1072 -51.3206 -18.6404 TIMING: 4241800 CPU: 13250.1, 0.0031179/step Wall: 13250.1, 0.0031179/step, 0.656664 hours remaining, 234.453125 MB of memory in use. ENERGY: 4241800 4013.6108 20665.0389 14410.6346 229.7290 -203258.6101 2755.1072 0.0000 0.0000 52103.2569 -109081.2327 299.4381 -161184.4896 -108724.1735 299.3551 68.2243 93.3076 762500.9528 -13.6178 -13.4551 PRESSURE: 4242000 283.274 -55.5816 91.7671 -55.5812 441.914 162.447 91.7686 162.447 -333.211 GPRESSURE: 4242000 313.023 -143.602 34.9707 -98.1981 415.906 182.611 126.46 213.155 -265.516 PRESSAVG: 4242000 -12.3741 -10.452 12.7735 -10.452 33.1353 -0.216886 12.7735 -0.216949 5.93817 GPRESSAVG: 4242000 -11.9721 -9.97697 12.0959 -10.358 31.4068 1.55653 10.708 0.870896 7.34019 TIMING: 4242000 CPU: 13250.7, 0.00310458/step Wall: 13250.7, 0.00310458/step, 0.653686 hours remaining, 234.453125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4242000 3943.7567 20439.3062 14476.6526 238.7336 -203302.1662 2977.5182 0.0000 0.0000 51992.9299 -109233.2690 298.8041 -161226.1989 -108869.9627 299.5566 130.6589 154.4713 763959.2042 8.8998 8.9250 PRESSURE: 4242200 17.3162 -41.2496 -240.283 -41.2494 114.319 -62.903 -240.283 -62.9034 -35.4218 GPRESSURE: 4242200 118.97 49.2834 -248.316 37.7702 117.723 -76.7807 -131.697 -26.8699 -60.1268 PRESSAVG: 4242200 -2.36734 15.7455 0.956212 15.7456 7.58815 -40.8912 0.956206 -40.8912 -7.93046 GPRESSAVG: 4242200 -2.00271 15.637 0.701203 16.771 8.24168 -41.5043 1.99694 -42.541 -8.93912 TIMING: 4242200 CPU: 13251.3, 0.00310487/step Wall: 13251.3, 0.00310487/step, 0.653574 hours remaining, 234.453125 MB of memory in use. ENERGY: 4242200 3995.2194 20451.0712 14358.4921 246.9945 -203220.6103 2929.9798 0.0000 0.0000 52082.8322 -109156.0211 299.3208 -161238.8533 -108792.5435 299.2757 32.0712 58.8555 763308.0964 -0.9032 -0.9000 PRESSURE: 4242400 -261.205 -121.776 122.673 -121.775 130.632 -231.989 122.673 -231.988 -304.038 GPRESSURE: 4242400 -237.203 -228.54 109.467 -161.676 171.28 -333.909 233.689 -121.692 -287.973 PRESSAVG: 4242400 33.4528 13.3318 0.868224 13.3318 18.7801 -25.4282 0.868171 -25.4281 -0.416907 GPRESSAVG: 4242400 33.879 14.0231 1.7562 11.6358 18.3903 -27.5533 0.315103 -23.3679 -0.843415 TIMING: 4242400 CPU: 13252, 0.00309297/step Wall: 13252, 0.00309297/step, 0.650898 hours remaining, 234.464844 MB of memory in use. ENERGY: 4242400 4037.3101 20414.7331 14447.2912 248.6165 -203451.5597 2775.2437 0.0000 0.0000 52212.2161 -109316.1491 300.0643 -161528.3651 -108957.8611 299.2648 -144.8702 -117.9652 763090.4655 17.2720 17.1420 PRESSURE: 4242600 144.017 22.3056 178.366 22.3056 -215.859 -139.948 178.366 -139.949 -153.98 GPRESSURE: 4242600 211.464 62.4962 192.524 28.4942 -153.664 -131.804 175.473 -105.687 -193.241 PRESSAVG: 4242600 -0.486218 -44.6427 12.6667 -44.6427 -22.9947 -37.5774 12.6668 -37.5774 18.3681 GPRESSAVG: 4242600 -1.0035 -47.6695 12.2726 -44.1356 -22.887 -35.129 13.2068 -38.7622 18.788 TIMING: 4242600 CPU: 13252.6, 0.00311252/step Wall: 13252.6, 0.00311252/step, 0.654839 hours remaining, 234.464844 MB of memory in use. ENERGY: 4242600 4009.7912 20409.7435 14434.1338 244.1145 -203436.5407 2977.4130 0.0000 0.0000 52071.0474 -109290.2972 299.2530 -161361.3446 -108935.6192 298.9341 -75.2741 -45.1469 764169.1704 -1.7043 -1.7008 PRESSURE: 4242800 88.0045 -105.387 -154.09 -105.387 52.6898 -203.016 -154.091 -203.017 274.114 GPRESSURE: 4242800 137.733 -74.7977 -162.061 -109.046 85.0416 -269.765 -187.76 -40.974 280.959 PRESSAVG: 4242800 28.2898 -29.5754 -38.7806 -29.5754 -48.3772 -12.0527 -38.7806 -12.0528 -10.8767 GPRESSAVG: 4242800 28.7402 -29.9288 -37.7386 -27.7847 -48.4128 -10.97 -41.6736 -12.6902 -11.6456 TIMING: 4242800 CPU: 13253.2, 0.00311755/step Wall: 13253.2, 0.00311755/step, 0.655726 hours remaining, 234.464844 MB of memory in use. ENERGY: 4242800 4031.8050 20438.7112 14508.1338 235.8890 -203095.2098 2944.1655 0.0000 0.0000 51989.0585 -108947.4468 298.7818 -160936.5053 -108589.9011 299.2864 138.2693 167.9110 762376.2024 -10.3213 -10.4394 PRESSURE: 4243000 122.051 -145.413 -17.7122 -145.414 52.3761 -144.375 -17.7112 -144.375 -235.01 GPRESSURE: 4243000 105.487 -120.241 44.9603 -109.626 124.587 -208.8 12.4529 -177.098 -229.785 PRESSAVG: 4243000 -13.0677 -48.1403 -11.5616 -48.1403 -34.7834 -15.7642 -11.5615 -15.7642 17.3391 GPRESSAVG: 4243000 -13.0839 -45.5338 -10.9917 -48.7099 -35.2189 -17.1102 -8.58513 -15.8338 17.3554 TIMING: 4243000 CPU: 13253.8, 0.00312537/step Wall: 13253.8, 0.00312537/step, 0.657195 hours remaining, 234.464844 MB of memory in use. ENERGY: 4243000 4047.3551 20520.5050 14574.5291 247.3662 -203013.1257 2896.2335 0.0000 0.0000 51921.0083 -108806.1285 298.3907 -160727.1368 -108436.3982 299.7608 -20.1943 0.0960 763850.9479 -10.1707 -10.3158 PRESSURE: 4243200 173.855 -227.95 -33.7943 -227.95 -47.1573 45.9395 -33.7948 45.9386 289.136 GPRESSURE: 4243200 146.899 -188.094 -49.933 -184.454 135.71 15.0365 -107.916 80.7414 244.215 PRESSAVG: 4243200 24.1609 -35.3965 33.9009 -35.3965 -23.8897 -14.976 33.9009 -14.976 5.85054 GPRESSAVG: 4243200 23.1632 -34.845 32.6875 -36.886 -23.4984 -13.7259 34.0839 -16.4077 6.83175 TIMING: 4243200 CPU: 13254.5, 0.00311413/step Wall: 13254.5, 0.00311413/step, 0.654659 hours remaining, 234.464844 MB of memory in use. ENERGY: 4243200 3948.3075 20434.7601 14557.1292 242.3139 -202953.4827 2679.2294 0.0000 0.0000 52301.1065 -108790.6362 300.5752 -161091.7426 -108425.5164 300.0400 138.6113 175.6081 763351.3278 2.0406 2.1655 PRESSURE: 4243400 -4.51424 -176.611 -54.3352 -176.611 -379.1 -95.8661 -54.3351 -95.8655 -390.733 GPRESSURE: 4243400 -14.7277 -139.745 -171.527 -301.137 -304.226 -61.6588 -46.3462 -146.794 -365.419 PRESSAVG: 4243400 20.7731 2.28468 -31.8839 2.28464 -11.6562 -33.009 -31.8839 -33.0089 -3.23447 GPRESSAVG: 4243400 20.6381 0.669897 -31.2924 1.0379 -11.1859 -32.4451 -31.5911 -32.2163 -3.63409 TIMING: 4243400 CPU: 13255.1, 0.00311371/step Wall: 13255.1, 0.00311371/step, 0.654398 hours remaining, 234.464844 MB of memory in use. ENERGY: 4243400 4044.7788 20482.3500 14519.0825 241.9218 -203136.2752 2655.7395 0.0000 0.0000 52395.4369 -108796.9657 301.1173 -161192.4026 -108426.5312 300.2667 -258.1157 -228.1242 764639.2274 1.9608 1.9394 PRESSURE: 4243600 -41.8323 -127.799 122.834 -127.798 -210.619 -94.245 122.834 -94.2448 -112.959 GPRESSURE: 4243600 -89.8395 -108.416 180.433 -77.0547 -174.143 -63.3862 111.613 -92.618 -25.2455 PRESSAVG: 4243600 -2.67391 -35.2794 -11.0637 -35.2794 -14.3464 -6.28914 -11.0638 -6.2891 16.5896 GPRESSAVG: 4243600 -1.29321 -34.8929 -11.3025 -32.0773 -15.2262 -6.28041 -11.7466 -5.54863 15.4103 TIMING: 4243600 CPU: 13255.7, 0.00312738/step Wall: 13255.7, 0.00312738/step, 0.657098 hours remaining, 234.464844 MB of memory in use. ENERGY: 4243600 3955.8713 20478.4352 14545.2259 254.8425 -203239.2546 2708.7048 0.0000 0.0000 52457.1667 -108839.0083 301.4721 -161296.1750 -108467.6961 300.4019 -121.8035 -96.4093 764468.9827 -0.1436 -0.3697 PRESSURE: 4243800 -157.955 4.2082 31.815 4.2074 -16.0369 142.241 31.8144 142.242 3.43938 GPRESSURE: 4243800 -100.195 -43.3255 9.2054 35.9915 -5.61604 160.188 132.048 61.3395 5.30694 PRESSAVG: 4243800 -1.67379 6.78502 -15.9294 6.78507 -17.0723 -17.7351 -15.9294 -17.7352 -37.3621 GPRESSAVG: 4243800 -2.77303 7.42293 -15.8554 3.54221 -16.588 -17.7921 -16.142 -17.962 -37.0469 TIMING: 4243800 CPU: 13256.3, 0.00312733/step Wall: 13256.3, 0.00312733/step, 0.656914 hours remaining, 234.464844 MB of memory in use. ENERGY: 4243800 4158.1996 20680.0734 14528.2274 250.9094 -203221.3594 2585.4323 0.0000 0.0000 52133.1611 -108885.3562 299.6100 -161018.5173 -108524.3033 300.5721 -56.8509 -33.5012 765150.8500 -18.7027 -18.8026 PRESSURE: 4244000 -152.579 -133.546 76.5303 -133.548 -11.9563 -148.28 76.5312 -148.281 -285.842 GPRESSURE: 4244000 -109.342 -113.658 28.9087 -59.5238 19.8043 -133.176 74.9753 -331.296 -260.458 PRESSAVG: 4244000 -27.2024 5.97907 8.84878 5.97913 36.9239 0.21801 8.84878 0.218004 11.5938 GPRESSAVG: 4244000 -28.3377 7.65563 8.85427 6.10219 37.0226 0.143222 9.96694 -0.53438 12.3581 TIMING: 4244000 CPU: 13257, 0.00315788/step Wall: 13257, 0.00315788/step, 0.663156 hours remaining, 234.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4244000 4041.4069 20670.9126 14555.0070 251.0083 -203298.6528 2942.8376 0.0000 0.0000 52053.2679 -108784.2126 299.1508 -160837.4804 -108435.7799 299.9071 -150.1256 -116.6653 765011.7308 7.1051 7.0144 PRESSURE: 4244200 66.0982 107.811 99.9094 107.809 173.997 -45.3052 99.9099 -45.3047 -543.073 GPRESSURE: 4244200 74.2365 90.7795 136.822 20.8348 243.005 48.9364 61.0045 -48.441 -539.161 PRESSAVG: 4244200 -3.19915 3.35355 -1.46609 3.35356 53.0127 -8.20452 -1.46606 -8.20448 11.1975 GPRESSAVG: 4244200 -2.54598 -0.494412 -0.497832 4.50207 51.949 -7.14876 -3.3956 -7.33324 11.2332 TIMING: 4244200 CPU: 13257.6, 0.00315394/step Wall: 13257.6, 0.00315394/step, 0.662151 hours remaining, 234.464844 MB of memory in use. ENERGY: 4244200 4019.0111 20564.9602 14519.3658 225.7811 -203107.9107 2684.1982 0.0000 0.0000 52270.2731 -108824.3213 300.3980 -161094.5944 -108460.5209 300.4027 -100.9926 -73.9731 763720.7882 20.3370 20.2121 LDB: ============= START OF LOAD BALANCING ============== 13270.1 LDB: ============== END OF LOAD BALANCING =============== 13270.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13270.1 LDB: ============= START OF LOAD BALANCING ============== 13270.4 LDB: Largest compute 7026 load 0.032770 is 16.8% of average load 0.195347 LDB: Average compute 0.004412 is 2.3% of average load 0.195347 LDB: TIME 13270.4 LOAD: AVG 0.195347 MAX 0.216405 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.23 MB LDB: TIME 13270.4 LOAD: AVG 0.195347 MAX 0.216405 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.301 MB LDB: TIME 13270.4 LOAD: AVG 0.195347 MAX 0.216405 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.301 MB LDB: ============== END OF LOAD BALANCING =============== 13270.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13270.4 PRESSURE: 4244400 191.037 15.4283 109.557 15.4279 483.58 106.046 109.558 106.047 226.756 GPRESSURE: 4244400 237.93 104.372 109.992 11.9454 458.479 3.64231 187.395 82.2469 298.848 PRESSAVG: 4244400 -64.4609 6.57303 29.0796 6.573 62.2206 -9.22767 29.0797 -9.2277 -13.0042 GPRESSAVG: 4244400 -64.7739 9.50955 27.8165 8.72826 64.039 -11.7783 31.7663 -8.30727 -14.263 TIMING: 4244400 CPU: 13258.2, 0.00319875/step Wall: 13258.2, 0.00319875/step, 0.671381 hours remaining, 235.859375 MB of memory in use. ENERGY: 4244400 4037.0672 20749.6348 14489.2279 244.4317 -203592.9950 3039.6845 0.0000 0.0000 52406.0363 -108626.9127 301.1782 -161032.9490 -108270.3155 300.6709 300.4579 331.7523 761220.8203 -5.0815 -4.9993 PRESSURE: 4244600 -232.849 13.149 115.916 13.1491 -167.927 -191.275 115.916 -191.276 -140.768 GPRESSURE: 4244600 -201.922 48.5362 94.5936 -31.2305 -138.54 -263.631 162.294 -136.818 -109.886 PRESSAVG: 4244600 -36.9597 -19.0763 52.154 -19.0763 42.7496 -26.3344 52.154 -26.3345 16.7806 GPRESSAVG: 4244600 -37.414 -19.7003 52.1469 -22.4782 41.2802 -25.1877 51.0518 -26.9516 17.9859 TIMING: 4244600 CPU: 13258.9, 0.00314861/step Wall: 13258.9, 0.00314861/step, 0.660684 hours remaining, 235.929688 MB of memory in use. ENERGY: 4244600 4047.2245 20689.7691 14541.0729 255.2363 -203214.8726 2706.4688 0.0000 0.0000 52242.8900 -108732.2110 300.2406 -160975.1010 -108371.1213 300.9465 -180.5147 -150.1162 763289.5756 7.5235 7.2840 PRESSURE: 4244800 -169.495 -24.2132 -112.558 -24.2137 -312.405 243.347 -112.557 243.347 -284.122 GPRESSURE: 4244800 -111.164 -41.1251 -119.237 180.447 -198.431 180.348 -70.6328 48.0613 -347.323 PRESSAVG: 4244800 -37.9041 -39.9606 13.9701 -39.9606 65.8278 -56.2783 13.9701 -56.2782 -8.7008 GPRESSAVG: 4244800 -37.4736 -41.2437 12.4048 -38.5909 66.6922 -55.6951 15.4788 -57.0238 -9.91538 TIMING: 4244800 CPU: 13259.5, 0.00313881/step Wall: 13259.5, 0.00313881/step, 0.658452 hours remaining, 235.929688 MB of memory in use. ENERGY: 4244800 4045.4200 20664.7185 14580.5123 244.4860 -203120.8403 2636.3414 0.0000 0.0000 52240.0070 -108709.3551 300.2240 -160949.3621 -108347.5496 300.6867 -255.3408 -218.9726 761168.6301 6.4076 6.4344 PRESSURE: 4245000 108.89 -105.215 70.4527 -105.216 -121.647 -291.244 70.4521 -291.246 344.516 GPRESSURE: 4245000 192.026 -122.13 114.929 -36.5869 -88.5034 -219.854 35.8508 -263.464 335.195 PRESSAVG: 4245000 -15.8699 -3.37602 -22.6874 -3.37601 38.3734 -8.37147 -22.6873 -8.37142 19.4037 GPRESSAVG: 4245000 -15.7806 -3.10211 -19.836 -3.59438 37.2275 -8.7391 -24.3621 -9.07082 20.9247 TIMING: 4245000 CPU: 13260.1, 0.0031377/step Wall: 13260.1, 0.0031377/step, 0.658046 hours remaining, 235.929688 MB of memory in use. ENERGY: 4245000 3979.2876 20560.3239 14402.8238 240.9810 -203282.6901 2892.3380 0.0000 0.0000 52422.9532 -108783.9826 301.2754 -161206.9357 -108429.3741 300.4784 110.5864 146.2392 762272.8898 13.9691 14.1239 PRESSURE: 4245200 -148.728 53.7364 72.1647 53.7356 196.254 -395.576 72.1642 -395.575 -183.287 GPRESSURE: 4245200 -80.8306 -43.2605 91.744 53.0156 246.811 -361.899 -25.2127 -159.908 -198.557 PRESSAVG: 4245200 2.35432 20.3545 22.3417 20.3545 19.7608 36.2346 22.3417 36.2346 22.6715 GPRESSAVG: 4245200 2.83965 20.7936 21.4092 20.7342 20.2682 35.7111 22.9713 37.0059 21.6454 TIMING: 4245200 CPU: 13260.7, 0.00313332/step Wall: 13260.7, 0.00313332/step, 0.656952 hours remaining, 235.929688 MB of memory in use. ENERGY: 4245200 3993.7564 20683.7648 14561.4966 274.0078 -203144.5410 2700.1829 0.0000 0.0000 52214.2848 -108717.0478 300.0762 -160931.3325 -108340.3746 299.9219 -45.2537 -10.8586 762789.3527 14.9289 14.9177 PRESSURE: 4245400 -355.308 -277.598 55.9878 -277.598 -266.158 48.8383 55.9882 48.8372 -364.103 GPRESSURE: 4245400 -294.758 -210.757 20.0212 -229.209 -336.438 -6.18715 51.4458 124.239 -271.662 PRESSAVG: 4245400 2.32848 -4.42975 -2.33217 -4.42973 7.45562 -56.6765 -2.33215 -56.6765 -24.7307 GPRESSAVG: 4245400 2.44311 -3.82827 -1.30306 -4.924 6.12081 -56.5907 -5.38211 -53.8023 -23.5796 TIMING: 4245400 CPU: 13261.4, 0.00314798/step Wall: 13261.4, 0.00314798/step, 0.659852 hours remaining, 235.929688 MB of memory in use. ENERGY: 4245400 4066.0887 20597.6882 14535.1010 259.7562 -203004.4016 2468.6617 0.0000 0.0000 52438.4543 -108638.6515 301.3645 -161077.1058 -108262.9115 300.3352 -328.5230 -300.9528 763179.8218 -4.9822 -5.0052 PRESSURE: 4245600 83.798 100.737 -126.219 100.738 250.977 -82.3383 -126.218 -82.3386 95.1231 GPRESSURE: 4245600 131.7 72.6088 -107.065 78.6835 198.882 -97.1149 -86.3154 -32.1405 191.806 PRESSAVG: 4245600 -23.5256 14.2921 7.65299 14.2921 9.30169 -17.1852 7.65291 -17.1852 5.57609 GPRESSAVG: 4245600 -23.6076 12.6236 7.61542 15.4315 8.81549 -16.7043 10.7314 -21.9665 5.62313 TIMING: 4245600 CPU: 13262, 0.00314903/step Wall: 13262, 0.00314903/step, 0.659896 hours remaining, 235.929688 MB of memory in use. ENERGY: 4245600 3956.0873 20677.4800 14546.5374 231.2270 -203127.6740 2699.7109 0.0000 0.0000 52189.6277 -108827.0036 299.9345 -161016.6313 -108458.5019 300.7415 143.2992 174.1294 762421.0474 -2.8826 -3.0563 PRESSURE: 4245800 74.8186 -95.8561 2.13712 -95.8559 -64.2054 133.738 2.13786 133.738 28.102 GPRESSURE: 4245800 41.5309 -83.5075 -1.08467 -158.37 118.261 159.673 47.7566 117.112 -35.009 PRESSAVG: 4245800 -43.0944 -31.1489 41.97 -31.1489 78.4934 -28.3042 41.97 -28.3042 4.67249 GPRESSAVG: 4245800 -44.4756 -29.1992 41.7238 -32.4843 80.5114 -28.8941 41.6041 -24.8358 4.12641 TIMING: 4245800 CPU: 13262.6, 0.00314704/step Wall: 13262.6, 0.00314704/step, 0.659305 hours remaining, 235.929688 MB of memory in use. ENERGY: 4245800 4113.7644 20634.0545 14481.3444 246.6203 -203184.7596 2772.3733 0.0000 0.0000 52057.3074 -108879.2954 299.1741 -160936.6028 -108520.4381 300.0495 12.9051 41.5943 762093.3060 13.3572 13.3874 PRESSURE: 4246000 -26.9839 155.157 -12.2658 155.156 -192.744 156.903 -12.2671 156.903 -282.842 GPRESSURE: 4246000 -50.9277 168.389 12.2648 80.6416 -129.702 5.13025 -40.3396 209.223 -232.115 PRESSAVG: 4246000 -3.75755 -16.6046 -3.23425 -16.6046 28.0148 5.09549 -3.23431 5.09544 2.56972 GPRESSAVG: 4246000 -5.19743 -16.34 -3.01789 -17.3038 27.7239 4.43648 -3.96937 3.88376 3.77348 TIMING: 4246000 CPU: 13263.3, 0.00313245/step Wall: 13263.3, 0.00313246/step, 0.656075 hours remaining, 235.929688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4246000 4021.4445 20709.1540 14521.0964 235.6805 -203235.9886 2774.7722 0.0000 0.0000 52109.2505 -108864.5906 299.4726 -160973.8411 -108497.6606 300.1495 -167.5232 -137.5816 765081.8290 8.9423 8.7666 PRESSURE: 4246200 -34.8623 -254.057 4.13156 -254.057 -380.273 -79.0296 4.13168 -79.0297 63.4249 GPRESSURE: 4246200 58.4343 -154.609 -33.0891 -213.02 -317.282 -24.2853 -89.3529 106.983 -7.416 PRESSAVG: 4246200 -21.643 29.7833 -14.4301 29.7833 24.8608 7.23875 -14.4301 7.23876 -16.6143 GPRESSAVG: 4246200 -19.7565 28.8366 -15.0237 31.3984 23.8742 8.87202 -13.9208 8.34837 -17.3296 TIMING: 4246200 CPU: 13263.9, 0.00312818/step Wall: 13263.9, 0.00312818/step, 0.655006 hours remaining, 235.929688 MB of memory in use. ENERGY: 4246200 4044.7227 20765.7045 14423.1138 258.0666 -203333.8626 2721.2763 0.0000 0.0000 51863.9501 -109257.0286 298.0628 -161120.9787 -108893.7612 300.1143 -117.2368 -88.7545 763919.1192 -4.4655 -4.4040 PRESSURE: 4246400 288.675 72.2449 -58.5107 72.2457 -156.03 -95.9033 -58.5103 -95.9042 -25.237 GPRESSURE: 4246400 251.122 120.825 4.26827 109.041 15.9701 -111.861 -27.5774 -51.8745 -60.3475 PRESSAVG: 4246400 6.93857 -16.0553 -3.3733 -16.0553 14.5006 47.1625 -3.37325 47.1625 22.4863 GPRESSAVG: 4246400 8.37238 -15.5241 -4.31356 -17.6818 13.6643 47.9284 -2.93651 46.8077 21.844 TIMING: 4246400 CPU: 13264.5, 0.00310055/step Wall: 13264.5, 0.00310055/step, 0.649049 hours remaining, 235.929688 MB of memory in use. ENERGY: 4246400 3963.0781 20642.0579 14470.0303 257.1557 -203712.5634 3035.4869 0.0000 0.0000 52032.8183 -109311.9362 299.0333 -161344.7545 -108951.9326 299.1087 35.8026 68.9148 763025.6258 14.6418 14.6269 PRESSURE: 4246600 -133.496 -136.595 136.844 -136.595 -42.0759 -30.1145 136.844 -30.1143 -385.663 GPRESSURE: 4246600 -75.3932 -210.66 170.727 -145.691 -46.7661 59.922 79.2037 40.1152 -352.872 PRESSAVG: 4246600 -75.1327 -17.3483 -19.5834 -17.3483 102.678 -22.5655 -19.5835 -22.5655 14.4478 GPRESSAVG: 4246600 -74.7724 -17.2897 -17.3491 -15.7285 102.633 -22.2595 -18.8575 -24.4216 13.8958 TIMING: 4246600 CPU: 13265.1, 0.00311008/step Wall: 13265.1, 0.00311008/step, 0.650871 hours remaining, 235.929688 MB of memory in use. ENERGY: 4246600 3990.5015 20558.0775 14448.6094 249.9317 -203452.8770 2778.5766 0.0000 0.0000 52156.0132 -109271.1672 299.7413 -161427.1804 -108915.0468 299.6347 -187.0781 -158.3437 762856.7998 13.9976 13.9188 PRESSURE: 4246800 -80.4168 17.703 -149.986 17.7035 -326.923 69.2078 -149.987 69.2085 -339.35 GPRESSURE: 4246800 -120.03 25.4879 -22.6195 -58.9787 -207.516 -19.0302 -164.589 96.7408 -348.221 PRESSAVG: 4246800 -1.09998 -6.98731 4.84682 -6.98734 7.97552 5.90042 4.84682 5.90053 39.9232 GPRESSAVG: 4246800 -2.19749 -7.8216 4.26944 -5.96982 8.54098 4.46958 3.67905 6.54765 39.2955 TIMING: 4246800 CPU: 13265.8, 0.00311353/step Wall: 13265.8, 0.00311353/step, 0.651419 hours remaining, 235.929688 MB of memory in use. ENERGY: 4246800 3917.5759 20476.9606 14503.8481 283.5271 -203261.6057 2682.4673 0.0000 0.0000 52066.6739 -109330.5529 299.2279 -161397.2267 -108964.1585 299.9506 -248.8965 -225.2558 763091.0621 15.5996 15.2130 PRESSURE: 4247000 -104.003 230.879 -217.986 230.878 -57.3424 -45.2825 -217.987 -45.2842 24.4738 GPRESSURE: 4247000 -47.0958 169.512 -264.804 308.69 -89.2058 69.9006 -131.247 -32.0528 84.4696 PRESSAVG: 4247000 7.13392 50.8644 3.37408 50.8644 -3.50287 -54.9389 3.37406 -54.9389 14.5706 GPRESSAVG: 4247000 7.17342 49.8822 1.78707 49.631 -4.02936 -54.1644 3.64259 -55.4146 14.9601 TIMING: 4247000 CPU: 13266.4, 0.00312578/step Wall: 13266.4, 0.00312577/step, 0.653808 hours remaining, 235.929688 MB of memory in use. ENERGY: 4247000 3878.5314 20548.4641 14583.1486 246.7070 -203673.7629 2927.4832 0.0000 0.0000 52185.6729 -109303.7557 299.9118 -161489.4286 -108937.9699 299.6964 -45.6238 -17.2773 762294.3529 6.0672 6.0347 PRESSURE: 4247200 -163.974 143.382 -11.0001 143.382 134.963 -56.2878 -11.0003 -56.2892 -263.512 GPRESSURE: 4247200 -121.034 125.944 -75.9924 163.717 132.115 -19.1723 32.6072 -22.873 -197.13 PRESSAVG: 4247200 -18.6299 37.8773 28.6093 37.8774 7.13231 23.8011 28.6093 23.8011 -1.13873 GPRESSAVG: 4247200 -19.4552 39.1352 29.0667 39.0946 7.58279 22.9275 27.6651 22.8984 -0.223673 TIMING: 4247200 CPU: 13267, 0.00311537/step Wall: 13267, 0.00311537/step, 0.651459 hours remaining, 235.929688 MB of memory in use. ENERGY: 4247200 3952.7652 20584.6514 14472.2269 229.4053 -203450.0018 2852.1846 0.0000 0.0000 51897.0188 -109461.7496 298.2529 -161358.7684 -109107.9604 298.7825 -97.5078 -62.0164 762185.0370 -4.2121 -4.0320 PRESSURE: 4247400 -38.1081 -31.9961 -5.62457 -31.9959 -114.095 93.226 -5.62481 93.2246 207.345 GPRESSURE: 4247400 41.2945 -109.215 -87.4133 -61.0042 -149.104 117.676 -12.5504 110.545 260.636 PRESSAVG: 4247400 -12.7175 17.1108 88.3986 17.1108 20.2867 39.4853 88.3985 39.4852 -25.1788 GPRESSAVG: 4247400 -11.0263 15.9567 89.0812 18.7014 19.2935 40.3556 87.5444 41.0809 -25.7679 TIMING: 4247400 CPU: 13267.6, 0.00312233/step Wall: 13267.6, 0.00312233/step, 0.652741 hours remaining, 235.929688 MB of memory in use. ENERGY: 4247400 3951.6263 20614.1112 14490.3271 227.2847 -203314.4066 2578.3130 0.0000 0.0000 52115.1075 -109337.6368 299.5062 -161452.7443 -108975.9241 298.5798 18.3805 50.9424 763045.1765 -5.8699 -5.8336 PRESSURE: 4247600 -114.214 -17.7042 -35.8082 -17.7043 69.4147 -70.4807 -35.8083 -70.4801 -573.636 GPRESSURE: 4247600 -192.376 35.8603 -19.5939 49.9094 110.208 -46.7758 2.32158 -152.651 -465.788 PRESSAVG: 4247600 -13.9896 -16.096 16.7486 -16.096 15.2514 43.4973 16.7484 43.4973 -10.9547 GPRESSAVG: 4247600 -13.347 -15.965 16.0131 -18.4384 14.4363 43.292 19.3187 41.9825 -11.1396 TIMING: 4247600 CPU: 13268.3, 0.00313262/step Wall: 13268.3, 0.00313262/step, 0.654718 hours remaining, 235.929688 MB of memory in use. ENERGY: 4247600 4021.1333 20546.4431 14469.1822 239.1805 -203157.0502 2701.6628 0.0000 0.0000 51788.1466 -109391.3016 297.6272 -161179.4483 -109027.7815 298.8465 -206.1452 -182.6519 762826.7816 -3.2310 -3.3501 PRESSURE: 4247800 346.041 -40.8183 -132.149 -40.8189 60.093 -261.402 -132.15 -261.4 12.948 GPRESSURE: 4247800 324.186 -56.3272 -149.962 8.62101 100.338 -247.588 -208.086 -357.287 97.1971 PRESSAVG: 4247800 18.4939 12.9959 -30.084 12.9959 -11.1824 5.84897 -30.084 5.8489 -21.3236 GPRESSAVG: 4247800 17.4459 12.6825 -29.1064 14.0854 -10.6251 4.93385 -29.587 5.99244 -20.6999 TIMING: 4247800 CPU: 13268.9, 0.00312673/step Wall: 13268.9, 0.00312673/step, 0.653312 hours remaining, 235.929688 MB of memory in use. ENERGY: 4247800 3972.0762 20466.8232 14480.5674 255.5259 -203596.3463 2827.5875 0.0000 0.0000 52215.5100 -109378.2561 300.0833 -161593.7661 -109006.0308 299.1600 139.6941 173.9073 763811.4350 -4.6707 -4.6264 PRESSURE: 4248000 66.0685 -155.584 -110.784 -155.584 162.98 155.727 -110.785 155.726 263.619 GPRESSURE: 4248000 151.312 -19.5657 -13.3401 -151.814 139.25 222.38 -77.8057 119.841 302.453 PRESSAVG: 4248000 43.6465 -37.9655 -38.2333 -37.9656 12.3564 23.6243 -38.2334 23.6243 4.10519 GPRESSAVG: 4248000 43.3636 -37.951 -39.1449 -37.054 12.209 24.7402 -38.9996 24.3864 4.55564 TIMING: 4248000 CPU: 13269.5, 0.00311916/step Wall: 13269.5, 0.00311916/step, 0.651557 hours remaining, 235.929688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4248000 4017.7161 20538.5607 14451.9251 242.0123 -203539.5873 2943.3179 0.0000 0.0000 52030.9023 -109315.1528 299.0223 -161346.0551 -108951.5598 299.0928 164.2226 197.6716 764121.5022 20.0360 20.0427 PRESSURE: 4248200 -70.4317 98.8762 6.89291 98.8765 -149.609 77.8246 6.89265 77.8245 -54.4005 GPRESSURE: 4248200 -78.867 74.1369 35.9938 0.07146 -77.3778 12.7173 -43.1604 243.194 -47.9357 PRESSAVG: 4248200 -55.7278 -12.7035 4.99851 -12.7035 27.0407 10.6256 4.99851 10.6256 -5.03943 GPRESSAVG: 4248200 -57.0985 -10.5365 4.53766 -13.2931 27.6528 9.51548 8.27104 8.96901 -4.7125 TIMING: 4248200 CPU: 13270.1, 0.0031105/step Wall: 13270.1, 0.0031105/step, 0.649576 hours remaining, 235.929688 MB of memory in use. ENERGY: 4248200 4053.3364 20479.1779 14491.3929 248.2545 -203479.1997 2821.7576 0.0000 0.0000 51949.9563 -109435.3241 298.5571 -161385.2804 -109078.4495 298.8368 -91.4805 -68.0602 765232.3790 -11.2422 -11.3861 LDB: ============= START OF LOAD BALANCING ============== 13282.6 LDB: ============== END OF LOAD BALANCING =============== 13282.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13282.6 LDB: ============= START OF LOAD BALANCING ============== 13282.9 LDB: Largest compute 7026 load 0.032138 is 16.5% of average load 0.195340 LDB: Average compute 0.004404 is 2.3% of average load 0.195340 LDB: TIME 13282.9 LOAD: AVG 0.19534 MAX 0.213966 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.512 MB LDB: TIME 13282.9 LOAD: AVG 0.19534 MAX 0.213966 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.555 MB LDB: TIME 13282.9 LOAD: AVG 0.19534 MAX 0.213966 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.555 MB LDB: ============== END OF LOAD BALANCING =============== 13282.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13282.9 PRESSURE: 4248400 199.688 -131.297 7.60082 -131.298 20.6817 15.822 7.60044 15.8213 178.678 GPRESSURE: 4248400 181.837 -108.119 61.4471 -148.123 65.9682 -12.9784 15.4541 15.6714 244.858 PRESSAVG: 4248400 2.34262 -44.4295 19.4241 -44.4295 -6.52956 50.0368 19.4241 50.0367 -14.2209 GPRESSAVG: 4248400 3.21541 -46.9679 19.6591 -44.9842 -6.30144 50.548 18.6536 50.5099 -14.7403 TIMING: 4248400 CPU: 13270.8, 0.00318858/step Wall: 13270.8, 0.00318858/step, 0.665705 hours remaining, 235.156250 MB of memory in use. ENERGY: 4248400 3979.5713 20496.1014 14381.9893 235.3840 -203669.4178 2962.8093 0.0000 0.0000 52212.4873 -109401.0752 300.0659 -161613.5625 -109048.7670 298.8660 133.0160 164.2212 762766.6223 -6.1360 -5.9421 PRESSURE: 4248600 -195.706 40.4697 25.2385 40.4701 412.778 -72.9864 25.2378 -72.9852 244.319 GPRESSURE: 4248600 -135.255 128.674 42.7202 -11.1048 400.055 -107.922 0.303949 1.4315 274.97 PRESSAVG: 4248600 20.6395 -8.0034 35.8133 -8.00332 -1.29048 -27.7987 35.8132 -27.7987 0.655395 GPRESSAVG: 4248600 20.9067 -6.05147 35.8673 -7.92597 -1.44875 -28.1951 35.9084 -26.6509 0.52549 TIMING: 4248600 CPU: 13271.4, 0.00310699/step Wall: 13271.4, 0.00310699/step, 0.648499 hours remaining, 235.281250 MB of memory in use. ENERGY: 4248600 4099.7557 20345.8482 14414.4536 244.5381 -203645.2706 3067.0178 0.0000 0.0000 51950.9614 -109522.6958 298.5629 -161473.6571 -109162.4359 298.8513 153.7968 179.9231 762597.7973 6.6681 6.6612 PRESSURE: 4248800 -182.093 -38.3942 165.191 -38.3928 170.653 -198.562 165.191 -198.561 -37.2771 GPRESSURE: 4248800 -131.031 -98.5031 129.963 97.0099 207.674 -78.5179 194.002 -203.296 -19.8143 PRESSAVG: 4248800 -62.5065 -23.0183 31.8289 -23.0183 51.8612 -39.468 31.8289 -39.468 12.0541 GPRESSAVG: 4248800 -63.269 -23.979 31.553 -22.5555 52.2265 -38.6671 30.7874 -40.5123 12.1333 TIMING: 4248800 CPU: 13272, 0.00311362/step Wall: 13272, 0.00311362/step, 0.649708 hours remaining, 235.281250 MB of memory in use. ENERGY: 4248800 4124.4272 20230.7097 14457.8222 232.0969 -203369.8432 2509.0522 0.0000 0.0000 52222.4816 -109593.2534 300.1233 -161815.7350 -109219.8414 298.7923 -16.2390 18.9431 764175.1075 0.4696 0.3636 PRESSURE: 4249000 -280.325 -79.8208 215.25 -79.8211 -217.122 -274.754 215.249 -274.754 -13.9287 GPRESSURE: 4249000 -301.306 -93.5664 194.438 -58.3556 -143.941 -256.356 156.133 -149.958 4.79343 PRESSAVG: 4249000 -52.648 -68.2631 6.67065 -68.2632 15.7801 8.52111 6.67065 8.52104 -1.50285 GPRESSAVG: 4249000 -51.5256 -66.7111 7.58415 -72.6447 15.7959 5.69588 5.14017 7.48077 -2.73018 TIMING: 4249000 CPU: 13272.6, 0.00311286/step Wall: 13272.6, 0.00311286/step, 0.649378 hours remaining, 235.425781 MB of memory in use. ENERGY: 4249000 3993.9909 20499.8766 14428.3537 259.0633 -203301.4828 2679.4375 0.0000 0.0000 51994.6892 -109446.0716 298.8142 -161440.7608 -109084.6202 298.3005 -170.4586 -146.8179 763222.2780 -12.7903 -12.8200 PRESSURE: 4249200 -250.981 -3.23439 139.269 -3.23584 -27.957 60.5647 139.269 60.5641 32.2793 GPRESSURE: 4249200 -105.268 -34.8049 174.817 -134.319 -103.443 101.22 142.412 39.7004 41.2683 PRESSAVG: 4249200 -31.2283 -63.8896 -32.7843 -63.8896 7.03262 6.04941 -32.7843 6.04943 8.14692 GPRESSAVG: 4249200 -29.7389 -64.9513 -33.6367 -61.4721 4.9873 7.81318 -31.2862 6.59012 8.704 TIMING: 4249200 CPU: 13273.3, 0.00313715/step Wall: 13273.3, 0.00313715/step, 0.654269 hours remaining, 235.425781 MB of memory in use. ENERGY: 4249200 4021.2400 20459.4241 14450.6453 247.4969 -202878.7930 2171.9078 0.0000 0.0000 51992.3322 -109535.7467 298.8006 -161528.0789 -109168.6856 298.4784 -82.2195 -55.8142 762640.9451 -5.3496 -5.3492 PRESSURE: 4249400 -173.002 -51.0362 77.8047 -51.0362 -287.597 115.898 77.8045 115.898 -47.2428 GPRESSURE: 4249400 -95.4022 13.1099 35.279 -70.3186 -313.488 108.641 14.6805 -88.2392 -12.2943 PRESSAVG: 4249400 -18.3966 -54.7248 -9.00237 -54.7248 -4.95907 4.97043 -9.0023 4.97049 -8.62636 GPRESSAVG: 4249400 -20.1869 -56.1298 -7.48115 -54.6054 -3.96463 4.44224 -12.1254 4.64061 -8.465 TIMING: 4249400 CPU: 13273.9, 0.00314791/step Wall: 13273.9, 0.00314791/step, 0.656339 hours remaining, 235.425781 MB of memory in use. ENERGY: 4249400 4012.6714 20396.5969 14453.2085 244.0870 -203356.0770 2806.4213 0.0000 0.0000 52105.8702 -109337.2217 299.4532 -161443.0918 -108976.6606 298.7351 -169.2806 -140.3948 763517.2255 -10.6607 -10.8722 PRESSURE: 4249600 35.3 -33.808 -42.5051 -33.8072 192.106 -198.455 -42.5052 -198.456 130.843 GPRESSURE: 4249600 53.5712 83.6984 -116.955 -75.7397 125.85 -85.0769 -0.141583 -222.765 254.213 PRESSAVG: 4249600 13.9392 28.4933 -55.2127 28.4933 -5.85225 -62.5988 -55.2127 -62.5987 20.6844 GPRESSAVG: 4249600 14.5245 28.765 -57.463 30.1159 -5.28616 -60.3618 -53.981 -61.338 19.602 TIMING: 4249600 CPU: 13274.5, 0.00312858/step Wall: 13274.5, 0.00312858/step, 0.652135 hours remaining, 235.425781 MB of memory in use. ENERGY: 4249600 3980.5109 20446.0450 14390.9376 250.2209 -203442.3540 2974.5074 0.0000 0.0000 52250.4884 -109149.6437 300.2843 -161400.1321 -108778.5052 299.5297 119.4163 144.5448 762656.8920 9.5905 9.6134 PRESSURE: 4249800 -223.185 -128.15 172.993 -128.151 -225.525 -21.943 172.993 -21.9435 -96.3956 GPRESSURE: 4249800 -92.336 -146.058 232.16 -4.47869 -281.568 -51.6884 182.519 -22.099 -89.2318 PRESSAVG: 4249800 6.11919 10.9512 48.136 10.9512 2.71705 -49.8521 48.1359 -49.8521 -9.95379 GPRESSAVG: 4249800 6.35163 12.3343 49.326 9.68625 1.97836 -54.029 48.4007 -46.4199 -9.3689 TIMING: 4249800 CPU: 13275.1, 0.0031219/step Wall: 13275.1, 0.0031219/step, 0.650569 hours remaining, 235.425781 MB of memory in use. ENERGY: 4249800 4044.5081 20623.8785 14499.4143 242.4228 -203281.0742 2578.3991 0.0000 0.0000 52105.6269 -109186.8244 299.4518 -161292.4513 -108827.6918 300.0183 -181.7020 -154.3784 763295.0207 -0.3725 -0.3463 PRESSURE: 4250000 173.326 43.6341 279.814 43.6342 -118.769 -73.9535 279.815 -73.9523 556.372 GPRESSURE: 4250000 201.391 -6.82801 393.935 53.5058 -78.9325 -101.968 210.853 -55.783 572.683 PRESSAVG: 4250000 -19.6128 -1.30987 26.8669 -1.30989 1.46805 -13.653 26.8669 -13.6529 17.6059 GPRESSAVG: 4250000 -20.6894 -1.4026 26.6772 -1.63502 1.77084 -10.9278 26.0164 -17.288 17.6885 TIMING: 4250000 CPU: 13275.8, 0.00309902/step Wall: 13275.8, 0.00309902/step, 0.645629 hours remaining, 235.425781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4250000 3974.8126 20529.1861 14417.3854 239.4557 -203430.1018 2854.6710 0.0000 0.0000 52005.8127 -109408.7783 298.8781 -161414.5910 -109047.0922 299.8015 203.6431 231.7136 762063.6732 -0.1796 -0.4100 PRESSURE: 4250200 -183.943 -16.8208 -72.4589 -16.8213 -61.3084 -51.7488 -72.4601 -51.7492 143.824 GPRESSURE: 4250200 -133.749 -51.7495 -13.1595 -86.1234 -37.042 -190.171 -104.209 127.424 142.161 PRESSAVG: 4250200 40.1336 -14.1583 42.3946 -14.1583 -40.5119 -3.24542 42.3946 -3.2454 1.01379 GPRESSAVG: 4250200 41.065 -15.0453 41.4094 -14.7374 -41.6671 -2.27098 43.2459 -2.49514 1.40978 TIMING: 4250200 CPU: 13276.4, 0.00312313/step Wall: 13276.4, 0.00312313/step, 0.650478 hours remaining, 235.425781 MB of memory in use. ENERGY: 4250200 3920.6276 20716.2721 14525.2036 224.3032 -203458.8764 2382.9491 0.0000 0.0000 52348.9952 -109340.5255 300.8504 -161689.5208 -108972.7806 299.3495 -33.8092 -9.5434 761819.3207 0.2118 0.2692 PRESSURE: 4250400 217.533 190.832 -192.655 190.833 -325.979 -25.3699 -192.656 -25.3699 -329.856 GPRESSURE: 4250400 146.326 226.734 -177.408 218.863 -193.339 -19.7376 -174.605 -70.7228 -309.75 PRESSAVG: 4250400 -17.3303 18.5122 8.45638 18.5122 -33.1716 -14.9749 8.45643 -14.9749 -4.18548 GPRESSAVG: 4250400 -18.2705 18.5615 10.6813 20.2767 -32.4348 -16.8154 9.03632 -13.0401 -4.38828 TIMING: 4250400 CPU: 13277, 0.0031218/step Wall: 13277, 0.0031218/step, 0.650029 hours remaining, 235.425781 MB of memory in use. ENERGY: 4250400 3981.2829 20409.3780 14518.0598 248.3848 -203089.4878 2382.9793 0.0000 0.0000 52250.7372 -109298.6657 300.2857 -161549.4030 -108935.4200 299.5342 -146.1007 -118.9211 761315.5688 -18.2291 -18.3645 PRESSURE: 4250600 327.476 5.2516 337.271 5.25136 181.598 179.751 337.272 179.752 241.75 GPRESSURE: 4250600 335.492 -161.087 174.272 114.302 281.957 266.107 363.307 34.6863 223.652 PRESSAVG: 4250600 -37.7096 -6.70677 -16.1207 -6.70672 25.6602 -41.5266 -16.1207 -41.5266 14.5971 GPRESSAVG: 4250600 -37.3269 -6.25986 -18.9464 -6.95909 25.948 -40.022 -16.4778 -43.081 14.1767 TIMING: 4250600 CPU: 13277.6, 0.00309759/step Wall: 13277.6, 0.00309759/step, 0.644815 hours remaining, 235.425781 MB of memory in use. ENERGY: 4250600 3890.0206 20490.0089 14504.7573 258.7544 -203252.8894 2834.7777 0.0000 0.0000 51805.1211 -109469.4494 297.7247 -161274.5705 -109102.5995 298.6693 250.2750 280.3672 760531.0651 0.8492 0.9326 PRESSURE: 4250800 -21.5511 98.2641 183.703 98.2641 317.241 -167.713 183.704 -167.713 225.363 GPRESSURE: 4250800 100.71 150.583 147.956 92.913 259.031 -145.702 96.5147 -32.5696 260.796 PRESSAVG: 4250800 15.8195 -75.0438 24.0851 -75.0437 10.5965 3.40063 24.0851 3.40062 -11.3244 GPRESSAVG: 4250800 16.3768 -74.7601 23.3245 -75.393 9.62107 3.34094 22.1194 2.97182 -11.3224 TIMING: 4250800 CPU: 13278.2, 0.00308119/step Wall: 13278.2, 0.00308119/step, 0.64123 hours remaining, 235.425781 MB of memory in use. ENERGY: 4250800 3944.8871 20721.9243 14513.5614 248.7867 -203498.2772 2740.5576 0.0000 0.0000 51857.0675 -109471.4926 298.0233 -161328.5601 -109133.1109 299.2982 173.6844 206.8456 760610.1823 5.0305 4.8918 PRESSURE: 4251000 236.586 -39.5984 -90.548 -39.5984 -53.6211 -64.2137 -90.5476 -64.2137 233.5 GPRESSURE: 4251000 268.956 -41.6315 -4.61395 -59.5281 32.5764 11.1159 116.326 -242.346 197.885 PRESSAVG: 4251000 6.08048 4.6439 -39.6363 4.64388 38.0411 -71.2368 -39.6362 -71.2368 -18.1671 GPRESSAVG: 4251000 5.98558 5.1673 -37.6921 2.88477 38.5311 -72.3465 -37.0685 -70.5878 -18.5075 TIMING: 4251000 CPU: 13278.9, 0.0031071/step Wall: 13278.9, 0.0031071/step, 0.646449 hours remaining, 235.425781 MB of memory in use. ENERGY: 4251000 4024.0636 20607.8719 14441.4267 247.1609 -203795.9707 2724.0189 0.0000 0.0000 52082.3792 -109669.0495 299.3181 -161751.4286 -109310.7841 299.5340 138.8217 166.4724 761441.7093 8.6515 8.6697 PRESSURE: 4251200 -0.192734 -81.7668 130.171 -81.7682 -37.57 22.363 130.171 22.3633 75.901 GPRESSURE: 4251200 52.7846 -114.491 108.377 -69.7125 30.9938 10.2101 76.267 16.6973 53.1643 PRESSAVG: 4251200 -2.9528 -29.544 -22.1636 -29.544 -30.8649 -24.5757 -22.1636 -24.5757 7.26186 GPRESSAVG: 4251200 -2.9573 -32.9338 -21.7358 -26.5769 -29.8909 -23.956 -23.7343 -24.9286 6.12974 TIMING: 4251200 CPU: 13279.5, 0.00312537/step Wall: 13279.5, 0.00312537/step, 0.650077 hours remaining, 235.425781 MB of memory in use. ENERGY: 4251200 4015.4722 20640.4023 14360.7700 240.5245 -203540.7605 2823.4114 0.0000 0.0000 51857.2652 -109602.9149 298.0244 -161460.1801 -109250.4997 299.2068 12.7128 45.6475 760943.3749 -8.8519 -8.9062 PRESSURE: 4251400 -291.503 32.223 250.727 32.2229 -15.5344 65.7617 250.727 65.7621 -124.926 GPRESSURE: 4251400 -257.733 -7.95133 247.041 140.906 -16.7153 42.906 179.662 8.29573 -43.0993 PRESSAVG: 4251400 19.5886 -59.6271 52.4383 -59.6272 -47.3491 -28.6878 52.4384 -28.6878 9.35576 GPRESSAVG: 4251400 19.6287 -56.9674 51.4907 -60.7185 -48.5094 -28.4379 53.0873 -28.7539 10.7883 TIMING: 4251400 CPU: 13280.1, 0.00312941/step Wall: 13280.1, 0.00312941/step, 0.650743 hours remaining, 235.425781 MB of memory in use. ENERGY: 4251400 3885.0794 20536.2479 14481.8147 268.2591 -203430.3449 2821.3213 0.0000 0.0000 51801.4264 -109636.1962 297.7035 -161437.6226 -109281.8892 298.7812 -143.9878 -105.8493 763612.5160 -6.1349 -6.0308 PRESSURE: 4251600 562.524 103.362 -185.433 103.363 109.261 120.821 -185.433 120.821 214.843 GPRESSURE: 4251600 558.866 57.5167 -75.4513 142.11 161.007 128.915 -157.749 92.9091 267.013 PRESSAVG: 4251600 37.9447 10.4496 24.6475 10.4495 3.13005 2.16463 24.6474 2.16466 -6.64917 GPRESSAVG: 4251600 38.4128 9.43519 24.6163 10.8961 4.28108 2.9848 24.957 0.348717 -8.08273 TIMING: 4251600 CPU: 13280.7, 0.00312717/step Wall: 13280.7, 0.00312717/step, 0.650103 hours remaining, 235.425781 MB of memory in use. ENERGY: 4251600 3966.2755 20498.4940 14417.6536 232.8153 -203713.2354 3048.2311 0.0000 0.0000 52093.2448 -109456.5211 299.3806 -161549.7660 -109098.6448 298.8722 295.5427 328.9619 760983.0362 11.4752 11.5370 PRESSURE: 4251800 376.791 -103.008 116.034 -103.007 -8.8794 188.481 116.034 188.48 301.84 GPRESSURE: 4251800 339.55 -173.551 157.13 -66.2452 101.231 253.426 146.536 251.106 321.124 PRESSAVG: 4251800 38.5643 39.1615 32.4487 39.1615 -41.3512 -2.31826 32.4487 -2.31822 22.1861 GPRESSAVG: 4251800 37.5169 38.0587 32.4399 39.3224 -40.6187 -2.10544 32.8085 -0.693745 22.6001 TIMING: 4251800 CPU: 13281.4, 0.00312511/step Wall: 13281.4, 0.00312511/step, 0.649501 hours remaining, 235.425781 MB of memory in use. ENERGY: 4251800 4007.1134 20327.4417 14421.7896 241.3950 -203550.4497 2857.7043 0.0000 0.0000 52123.7922 -109571.2136 299.5562 -161695.0058 -109192.4619 298.7113 223.2503 253.9683 761966.3321 6.4664 6.4994 PRESSURE: 4252000 -93.1059 158.532 101.589 158.532 -126.147 40.85 101.589 40.8513 -157.5 GPRESSURE: 4252000 -93.3232 209.072 87.4971 95.7582 -46.3792 89.543 98.3064 -21.2439 -141.596 PRESSAVG: 4252000 54.1648 -39.6506 -56.7808 -39.6506 -42.1221 45.0078 -56.7808 45.0078 -7.89339 GPRESSAVG: 4252000 54.8119 -37.5906 -56.3693 -41.0971 -43.1299 44.9654 -55.7675 45.2706 -7.56941 TIMING: 4252000 CPU: 13282, 0.00313092/step Wall: 13282, 0.00313092/step, 0.650536 hours remaining, 235.425781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4252000 4023.7638 20525.2771 14490.4550 246.6299 -203811.7105 2900.9218 0.0000 0.0000 52226.5371 -109398.1257 300.1466 -161624.6628 -109033.8614 298.9583 -125.5842 -93.7663 761687.3207 1.3831 1.3708 PRESSURE: 4252200 56.9331 89.6723 -85.6353 89.6723 71.9171 -161.069 -85.6356 -161.069 172.978 GPRESSURE: 4252200 94.4491 106.697 -92.9661 104.167 39.4213 -209.543 -118.893 -181.413 255.193 PRESSAVG: 4252200 40.3395 6.48968 16.892 6.48973 -5.99586 18.7806 16.8921 18.7805 -0.253414 GPRESSAVG: 4252200 39.8343 4.77142 15.591 7.62857 -6.82597 18.8428 15.4054 17.5547 0.786159 TIMING: 4252200 CPU: 13282.6, 0.00312068/step Wall: 13282.6, 0.00312068/step, 0.648235 hours remaining, 235.425781 MB of memory in use. ENERGY: 4252200 3934.4179 20478.1585 14532.9290 247.0395 -203686.9951 2949.9801 0.0000 0.0000 52198.2527 -109346.2173 299.9841 -161544.4700 -108980.9443 299.7249 100.6094 129.6877 759943.6337 11.3634 11.2648 LDB: ============= START OF LOAD BALANCING ============== 13295.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13295.1 LDB: =============== DONE WITH MIGRATION ================ 13295.1 LDB: ============= START OF LOAD BALANCING ============== 13295.4 LDB: Largest compute 7026 load 0.030988 is 15.9% of average load 0.195366 LDB: Average compute 0.004404 is 2.3% of average load 0.195366 LDB: TIME 13295.4 LOAD: AVG 0.195366 MAX 0.212204 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.75 MB LDB: TIME 13295.4 LOAD: AVG 0.195366 MAX 0.212204 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.75 MB LDB: TIME 13295.4 LOAD: AVG 0.195366 MAX 0.212204 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.75 MB LDB: ============== END OF LOAD BALANCING =============== 13295.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13295.4 PRESSURE: 4252400 -231.275 -97.0633 52.4401 -97.0636 -91.7374 53.8671 52.4399 53.8676 -253.91 GPRESSURE: 4252400 -174.288 -106.039 46.2875 -94.5195 -83.134 54.8208 22.0937 42.2753 -226.64 PRESSAVG: 4252400 -15.112 -28.876 -23.4779 -28.876 1.97444 10.4762 -23.478 10.4761 -0.804857 GPRESSAVG: 4252400 -15.8637 -29.0825 -23.6328 -29.4304 3.55799 11.1815 -23.0402 10.7157 -2.03245 TIMING: 4252400 CPU: 13283.3, 0.00319464/step Wall: 13283.3, 0.00319464/step, 0.663421 hours remaining, 236.117188 MB of memory in use. ENERGY: 4252400 3959.1197 20656.6296 14512.3346 253.4142 -202974.6585 2369.3128 0.0000 0.0000 51980.1362 -109243.7113 298.7306 -161223.8476 -108886.3496 299.5494 -192.3073 -161.3540 762549.3354 -4.6475 -4.7794 PRESSURE: 4252600 367.739 32.4976 -141.517 32.4977 248.867 -67.6359 -141.517 -67.6352 -42.7431 GPRESSURE: 4252600 294.303 49.7616 -168.321 124.566 284.335 21.354 -50.2224 -81.2599 62.0424 PRESSAVG: 4252600 39.3438 -39.6669 37.0129 -39.6669 -7.1926 8.65536 37.0129 8.65534 -12.484 GPRESSAVG: 4252600 38.9127 -38.7442 36.7259 -38.2034 -6.53609 7.73233 37.6476 9.59059 -12.5311 TIMING: 4252600 CPU: 13283.9, 0.00312109/step Wall: 13283.9, 0.0031211/step, 0.647974 hours remaining, 236.187500 MB of memory in use. ENERGY: 4252600 3920.8276 20566.2356 14436.2220 238.5615 -203328.1747 2826.6495 0.0000 0.0000 51968.1808 -109371.4976 298.6618 -161339.6785 -109008.0801 298.9540 191.2876 213.5602 761786.2315 6.5557 6.6152 PRESSURE: 4252800 -178.424 143.252 77.7941 143.253 -104.092 -242.044 77.7937 -242.044 56.0403 GPRESSURE: 4252800 -147.689 143.606 -10.0682 152.247 -55.0688 -263.729 -6.09754 -260.912 49.5145 PRESSAVG: 4252800 14.0512 -19.13 19.4617 -19.13 2.02384 26.6531 19.4617 26.653 -19.3359 GPRESSAVG: 4252800 14.8296 -19.2616 19.2767 -23.2244 0.697535 25.5243 19.0302 26.6162 -19.7426 TIMING: 4252800 CPU: 13284.5, 0.00311671/step Wall: 13284.5, 0.00311671/step, 0.646891 hours remaining, 236.187500 MB of memory in use. ENERGY: 4252800 4021.6638 20555.8842 14515.3031 246.3086 -203463.3878 2657.0006 0.0000 0.0000 51810.2619 -109656.9656 297.7543 -161467.2275 -109299.9151 298.5572 -75.4920 -51.0810 760667.2639 -1.0870 -1.4051 PRESSURE: 4253000 167.705 93.5119 -4.35713 93.5125 216.551 138.902 -4.3571 138.902 35.5018 GPRESSURE: 4253000 154.611 -30.9556 23.663 192.236 254.57 213.017 9.59798 188.641 109.019 PRESSAVG: 4253000 25.1729 24.2872 -18.022 24.2872 15.9971 50.9899 -18.022 50.9899 11.0304 GPRESSAVG: 4253000 25.4644 24.032 -17.2597 26.1807 15.4387 50.4175 -18.7092 51.0388 11.076 TIMING: 4253000 CPU: 13285.1, 0.00312972/step Wall: 13285.1, 0.00312972/step, 0.649417 hours remaining, 236.253906 MB of memory in use. ENERGY: 4253000 3944.8370 20483.3245 14452.0672 252.4930 -203206.0750 2485.9006 0.0000 0.0000 52032.5012 -109554.9515 299.0315 -161587.4527 -109193.8955 298.7014 139.9193 172.7333 762012.9028 17.4001 17.3264 PRESSURE: 4253200 -137.018 12.0696 133.979 12.0698 84.4619 7.19487 133.979 7.19504 32.9102 GPRESSURE: 4253200 -11.6539 -21.4992 124.966 -14.8607 61.6241 46.4251 262.414 -79.279 17.0038 PRESSAVG: 4253200 23.2335 -12.9654 24.442 -12.9654 -17.758 -3.29027 24.442 -3.29032 12.0796 GPRESSAVG: 4253200 22.6408 -11.0871 24.5531 -13.6367 -17.0127 -1.01286 24.6683 -3.65789 12.0327 TIMING: 4253200 CPU: 13285.8, 0.00313152/step Wall: 13285.8, 0.00313152/step, 0.649617 hours remaining, 236.253906 MB of memory in use. ENERGY: 4253200 3983.0368 20457.2844 14454.1494 252.8828 -203800.6776 2811.0828 0.0000 0.0000 52238.0944 -109604.1470 300.2130 -161842.2414 -109244.6019 298.8967 -6.5485 22.3247 761620.5388 5.8517 5.8870 PRESSURE: 4253400 -243.229 196.816 331.029 196.815 -649.293 200.905 331.03 200.904 -213.67 GPRESSURE: 4253400 -292.032 54.6065 269.271 77.3404 -578.058 164.066 273.534 167.868 -159.762 PRESSAVG: 4253400 22.7515 -13.4816 52.0478 -13.4816 -18.8743 31.6141 52.0479 31.6141 -0.958769 GPRESSAVG: 4253400 23.0195 -15.3862 51.546 -14.1032 -19.41 31.2551 53.501 31.1512 -0.726225 TIMING: 4253400 CPU: 13286.4, 0.00311032/step Wall: 13286.4, 0.00311032/step, 0.645046 hours remaining, 236.253906 MB of memory in use. ENERGY: 4253400 4030.9832 20713.6144 14441.8000 244.6592 -203051.8025 2306.4750 0.0000 0.0000 51852.1334 -109462.1373 297.9949 -161314.2707 -109116.5756 298.9750 -368.7306 -343.2838 760502.8025 0.9728 0.9611 PRESSURE: 4253600 -32.6508 -28.4034 -207.176 -28.4037 -80.5719 -57.9352 -207.176 -57.9348 -127.597 GPRESSURE: 4253600 -23.3077 -52.4385 -150.536 -121.125 -31.6913 55.1639 -119.809 -124.054 -96.2433 PRESSAVG: 4253600 20.1138 -13.635 -32.6917 -13.635 -51.7678 -24.7135 -32.6917 -24.7135 5.72097 GPRESSAVG: 4253600 20.4875 -12.1843 -31.8323 -12.4048 -52.0558 -25.7054 -34.4123 -24.3578 6.13715 TIMING: 4253600 CPU: 13287, 0.00311152/step Wall: 13287, 0.00311152/step, 0.645123 hours remaining, 236.253906 MB of memory in use. ENERGY: 4253600 4046.0226 20359.3656 14511.1189 240.8628 -203700.0522 2779.5344 0.0000 0.0000 52261.3359 -109501.8118 300.3466 -161763.1477 -109136.5562 298.8276 -80.2734 -50.4141 760370.5450 -8.6444 -8.4771 PRESSURE: 4253800 -322.635 -70.1641 215.876 -70.1639 358.566 -68.9364 215.876 -68.9359 -101.041 GPRESSURE: 4253800 -269.22 -172.639 98.3337 -157.266 332.598 28.952 188.343 -192.213 -39.5271 PRESSAVG: 4253800 -27.4531 3.87812 -31.2155 3.87809 55.1349 -25.51 -31.2155 -25.51 -7.2175 GPRESSAVG: 4253800 -26.3221 3.2882 -31.7265 5.04087 54.2079 -24.3089 -30.7466 -25.9673 -7.58687 TIMING: 4253800 CPU: 13287.6, 0.00311943/step Wall: 13287.6, 0.00311943/step, 0.646588 hours remaining, 236.253906 MB of memory in use. ENERGY: 4253800 3966.6190 20483.5101 14389.2167 245.9871 -203472.1271 2662.8033 0.0000 0.0000 51982.0161 -109741.9748 298.7414 -161723.9908 -109377.4125 298.9666 -21.7035 7.9502 761744.4735 6.8214 6.7663 PRESSURE: 4254000 181.388 103.641 -106.555 103.642 217.089 -95.4725 -106.555 -95.4726 -116.653 GPRESSURE: 4254000 159.803 137.961 -70.582 121.367 275.213 -102.481 -105.207 -190.329 -73.0853 PRESSAVG: 4254000 38.9716 6.40543 -11.7426 6.40538 -30.2148 7.53555 -11.7426 7.53557 -4.69204 GPRESSAVG: 4254000 36.9946 6.38878 -11.5006 5.3623 -28.0976 7.40127 -10.5524 7.75643 -4.9985 TIMING: 4254000 CPU: 13288.2, 0.00312267/step Wall: 13288.2, 0.00312267/step, 0.647086 hours remaining, 236.253906 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: 4254000 3897.1968 20422.3166 14421.3301 245.5342 -203600.8378 2711.5302 0.0000 0.0000 52092.4803 -109810.4497 299.3762 -161902.9300 -109442.7575 298.5031 93.9411 120.6434 759928.8753 1.3550 1.2995 PRESSURE: 4254200 -42.1148 72.3643 -55.6753 72.3633 -153.539 -46.6933 -55.6751 -46.6924 232.884 GPRESSURE: 4254200 74.5342 48.7707 -41.7623 131.173 -163.365 14.2592 -0.189647 -47.1569 231.304 PRESSAVG: 4254200 43.8068 -50.7282 -3.09465 -50.7283 -24.6425 -50.0647 -3.0946 -50.0647 0.65009 GPRESSAVG: 4254200 44.2913 -52.095 -3.2321 -50.7165 -25.3978 -50.4729 -3.04878 -49.514 0.884896 TIMING: 4254200 CPU: 13288.9, 0.00312812/step Wall: 13288.9, 0.00312812/step, 0.648042 hours remaining, 236.253906 MB of memory in use. ENERGY: 4254200 3950.0373 20372.9745 14461.1177 256.7598 -203112.1520 2555.2641 0.0000 0.0000 51790.1380 -109725.8606 297.6386 -161515.9986 -109361.3897 298.1492 12.4102 47.4911 762198.3233 6.6048 6.5928 PRESSURE: 4254400 203.819 112.221 99.5907 112.222 -276.507 67.0467 99.5912 67.0461 20.2232 GPRESSURE: 4254400 131.871 22.0616 148.392 151.261 -245.166 36.0143 49.1253 179.068 132.3 PRESSAVG: 4254400 40.9301 -16.6498 21.9216 -16.6498 -20.9267 -35.3071 21.9215 -35.3072 16.7479 GPRESSAVG: 4254400 40.2135 -16.4394 22.4137 -16.2419 -21.0221 -36.4515 21.8079 -34.1722 17.6291 TIMING: 4254400 CPU: 13289.5, 0.00310918/step Wall: 13289.5, 0.00310918/step, 0.643946 hours remaining, 236.253906 MB of memory in use. ENERGY: 4254400 3886.9802 20515.2272 14472.9876 232.1557 -203483.2125 2620.9515 0.0000 0.0000 51808.2119 -109946.6984 297.7425 -161754.9103 -109586.8323 298.1094 -17.4885 6.3351 762055.6435 12.2504 12.2735 PRESSURE: 4254600 -187.769 -96.1144 90.5136 -96.1145 -90.191 -37.6147 90.5139 -37.616 -284.297 GPRESSURE: 4254600 -198.273 -65.5688 97.1708 19.9197 -38.2528 26.5339 43.8027 -147.223 -231.605 PRESSAVG: 4254600 20.1698 -5.2938 8.86436 -5.29382 15.6309 -29.3921 8.86437 -29.392 19.8177 GPRESSAVG: 4254600 22.119 -3.83766 8.58981 -4.58878 16.3542 -28.3961 7.56761 -30.3277 17.5884 TIMING: 4254600 CPU: 13290.1, 0.00313954/step Wall: 13290.1, 0.00313954/step, 0.65006 hours remaining, 236.253906 MB of memory in use. ENERGY: 4254600 4053.9763 20343.2329 14477.2756 244.5237 -203643.8720 2518.9537 0.0000 0.0000 52047.4933 -109958.4166 299.1177 -162005.9099 -109594.2417 298.2267 -187.4190 -156.0434 760316.8427 18.5395 18.6872 PRESSURE: 4254800 -296.39 133.4 160.223 133.399 -367.909 -151.154 160.223 -151.155 -386.317 GPRESSURE: 4254800 -294.975 151.372 93.9558 167.858 -315.723 -137.325 307.439 -56.025 -364.195 PRESSAVG: 4254800 36.976 -24.0511 49.7409 -24.0511 6.71095 -56.4812 49.7409 -56.4812 -7.38827 GPRESSAVG: 4254800 36.3969 -23.5335 50.4041 -24.9489 6.79831 -55.3725 49.6676 -55.5849 -6.73229 TIMING: 4254800 CPU: 13290.7, 0.00311093/step Wall: 13290.7, 0.00311093/step, 0.643963 hours remaining, 236.253906 MB of memory in use. ENERGY: 4254800 3930.6642 20525.2040 14447.3479 239.5984 -203253.4261 2479.3387 0.0000 0.0000 51789.0015 -109842.2714 297.6321 -161631.2729 -109478.9814 298.2088 -350.2050 -324.9642 762119.0423 12.0996 12.1543 PRESSURE: 4255000 242.697 -177.129 -83.1305 -177.13 84.7788 -46.814 -83.13 -46.8151 -361.372 GPRESSURE: 4255000 280.792 -63.3782 -23.2817 -107.124 70.0942 -74.5433 -100.957 -178.57 -316.09 PRESSAVG: 4255000 -21.326 -45.6438 49.1412 -45.6438 5.33976 -24.4398 49.1412 -24.4399 15.1283 GPRESSAVG: 4255000 -21.932 -43.7933 48.2613 -45.7659 4.41476 -24.2669 47.9474 -25.4584 16.0819 TIMING: 4255000 CPU: 13291.4, 0.00310649/step Wall: 13291.4, 0.00310649/step, 0.64287 hours remaining, 236.253906 MB of memory in use. ENERGY: 4255000 3989.8803 20463.5758 14469.1484 243.8038 -203778.0894 2876.0099 0.0000 0.0000 51855.8059 -109879.8653 298.0160 -161735.6712 -109525.2729 298.3536 -11.2990 11.5987 759676.2422 -0.2860 -0.4785 PRESSURE: 4255200 -357.305 111.321 184.621 111.32 13.7843 109.76 184.621 109.759 2.8692 GPRESSURE: 4255200 -272.136 86.6588 131.565 115.665 -87.5791 196.024 192.221 164.578 94.071 PRESSAVG: 4255200 13.9321 -19.8081 -30.6248 -19.808 26.0687 7.84547 -30.6248 7.84551 -2.85366 GPRESSAVG: 4255200 14.2808 -20.9998 -30.1706 -21.2906 25.5943 5.72325 -30.0746 7.03785 -2.91832 TIMING: 4255200 CPU: 13292, 0.00310753/step Wall: 13292, 0.00310753/step, 0.642913 hours remaining, 236.253906 MB of memory in use. ENERGY: 4255200 3985.6900 20403.2374 14454.8801 226.2781 -203251.3525 2625.5717 0.0000 0.0000 51976.2514 -109579.4438 298.7082 -161555.6951 -109218.6744 298.4328 -113.5506 -88.5481 762753.6233 12.3824 12.3189 PRESSURE: 4255400 116.814 -174.483 -42.9946 -174.483 63.3603 76.6915 -42.9947 76.691 -337.16 GPRESSURE: 4255400 124.496 -246.446 -43.7348 -237.827 43.9116 28.1784 14.5025 19.4621 -257.749 PRESSAVG: 4255400 -37.1935 -0.0518292 29.1835 -0.0518331 24.1323 -57.1084 29.1835 -57.1084 10.4763 GPRESSAVG: 4255400 -36.8222 -3.17002 27.0179 2.07605 24.3086 -58.3431 28.778 -54.7184 10.207 TIMING: 4255400 CPU: 13292.6, 0.00312156/step Wall: 13292.6, 0.00312156/step, 0.645642 hours remaining, 236.253906 MB of memory in use. ENERGY: 4255400 4053.9580 20281.0833 14506.6227 252.5656 -203351.7124 2769.4291 0.0000 0.0000 51912.1961 -109575.8575 298.3401 -161488.0536 -109219.4619 298.4939 -52.3284 -29.7804 762958.4402 -0.8616 -0.7688 PRESSURE: 4255600 116.836 107.671 -61.7767 107.67 331.682 -149.16 -61.7766 -149.161 -76.3986 GPRESSURE: 4255600 59.7651 122.243 20.4855 95.5608 476.295 -60.5458 -30.5652 -139.069 -62.1031 PRESSAVG: 4255600 29.6895 -3.33688 -29.5781 -3.33687 -38.6376 -27.8219 -29.5781 -27.8218 -13.5637 GPRESSAVG: 4255600 28.9262 -0.959253 -28.0344 -3.61184 -39.0392 -23.8783 -29.3332 -29.8822 -12.6795 TIMING: 4255600 CPU: 13293.2, 0.00314807/step Wall: 13293.2, 0.00314807/step, 0.65095 hours remaining, 236.253906 MB of memory in use. ENERGY: 4255600 3979.2412 20491.0928 14429.8880 247.8553 -203251.6303 2569.0782 0.0000 0.0000 52264.2799 -109270.1950 300.3635 -161534.4748 -108907.1665 299.5649 124.0396 157.9856 760771.5225 -7.5040 -7.5975 PRESSURE: 4255800 -179.585 -287.205 159.348 -287.206 -522.902 -137.584 159.348 -137.582 113.683 GPRESSURE: 4255800 -143.151 -215.794 72.6912 -193.498 -492.693 -17.6645 35.6036 -59.7541 138.86 PRESSAVG: 4255800 58.7178 20.0998 8.89359 20.0997 -2.79852 4.46464 8.89363 4.46459 -19.7971 GPRESSAVG: 4255800 58.473 19.1928 9.07451 20.3971 -1.24747 2.81797 7.97567 3.52281 -21.7649 TIMING: 4255800 CPU: 13293.9, 0.00310413/step Wall: 13293.9, 0.00310413/step, 0.641692 hours remaining, 236.253906 MB of memory in use. ENERGY: 4255800 3995.4680 20454.0978 14409.2064 261.7737 -202838.7122 2462.4366 0.0000 0.0000 51991.6270 -109264.1026 298.7966 -161255.7297 -108898.7439 299.3441 -196.2683 -165.6613 763474.7940 12.0408 11.8202 PRESSURE: 4256000 54.295 -14.7841 -35.4708 -14.7832 188.525 -160.283 -35.4703 -160.283 10.2182 GPRESSURE: 4256000 21.7708 -32.7414 25.0269 43.8155 174.988 -88.5118 48.5762 -131.716 144.297 PRESSAVG: 4256000 -14.0373 -68.6068 -9.21021 -68.6068 -36.2629 -22.6155 -9.21017 -22.6156 1.7201 GPRESSAVG: 4256000 -14.1186 -68.2319 -8.21911 -69.4019 -36.9089 -21.8053 -8.93014 -20.3207 2.86895 TIMING: 4256000 CPU: 13294.5, 0.00312601/step Wall: 13294.5, 0.00312601/step, 0.646043 hours remaining, 236.253906 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: 4256000 3969.4202 20525.9461 14465.1414 249.2360 -203116.3053 2749.5952 0.0000 0.0000 51890.6084 -109266.3579 298.2160 -161156.9664 -108911.2388 299.1866 84.3461 113.6852 761163.4503 -16.1934 -16.0529 PRESSURE: 4256200 266.417 -65.7362 -36.0489 -65.7356 -11.0956 -55.8138 -36.0482 -55.8145 -224.344 GPRESSURE: 4256200 305.854 -107.316 29.8803 -140.414 95.1497 -73.0432 -186.161 -55.3035 -307.375 PRESSAVG: 4256200 73.6054 -53.9795 -18.3346 -53.9795 -28.6627 -24.1602 -18.3346 -24.1602 17.6739 GPRESSAVG: 4256200 73.5997 -54.7332 -17.9802 -51.6423 -29.1765 -24.1249 -16.1165 -24.1354 17.6769 TIMING: 4256200 CPU: 13295.1, 0.00312555/step Wall: 13295.1, 0.00312555/step, 0.645773 hours remaining, 236.253906 MB of memory in use. ENERGY: 4256200 3946.7342 20511.7821 14538.5356 264.7982 -202940.4421 2559.5246 0.0000 0.0000 51933.1464 -109185.9211 298.4605 -161119.0675 -108833.7858 299.3725 10.3257 31.2094 761019.7486 20.8722 20.7000 LDB: ============= START OF LOAD BALANCING ============== 13307.6 LDB: ============== END OF LOAD BALANCING =============== 13307.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13307.6 LDB: ============= START OF LOAD BALANCING ============== 13307.9 LDB: Largest compute 7060 load 0.029083 is 14.9% of average load 0.195274 LDB: Average compute 0.004387 is 2.2% of average load 0.195274 LDB: TIME 13307.9 LOAD: AVG 0.195274 MAX 0.213902 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.262 MB LDB: TIME 13307.9 LOAD: AVG 0.195274 MAX 0.213902 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.262 MB LDB: TIME 13307.9 LOAD: AVG 0.195274 MAX 0.213902 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.262 MB LDB: ============== END OF LOAD BALANCING =============== 13307.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13307.9 PRESSURE: 4256400 -191.534 -87.3401 31.5109 -87.3396 -0.443084 129.987 31.5111 129.988 -24.221 GPRESSURE: 4256400 -180.847 -223.154 42.8711 -55.6358 29.0759 28.0502 -6.18577 34.9585 12.8169 PRESSAVG: 4256400 63.6709 -32.1723 7.70613 -32.1722 -106.287 -47.4519 7.70618 -47.4519 -1.94851 GPRESSAVG: 4256400 63.0342 -32.0728 7.09409 -33.818 -106.512 -48.0566 5.20585 -48.6013 -1.68435 TIMING: 4256400 CPU: 13295.8, 0.00320844/step Wall: 13295.8, 0.00320844/step, 0.662721 hours remaining, 233.683594 MB of memory in use. ENERGY: 4256400 3966.6466 20442.2611 14486.8830 259.3932 -203220.9330 2598.7831 0.0000 0.0000 52158.1183 -109308.8477 299.7534 -161466.9660 -108936.4510 299.1280 -72.0660 -46.3182 762608.7586 -14.8550 -15.0542 PRESSURE: 4256600 -18.3942 -90.6784 215.926 -90.6777 185.315 312.908 215.925 312.909 -354.123 GPRESSURE: 4256600 33.2251 -84.8467 183.193 -101.855 212.094 361.576 195.92 354.316 -358.106 PRESSAVG: 4256600 -11.5623 -69.4028 -62.0652 -69.4028 4.29079 -19.7607 -62.0651 -19.7607 -2.20104 GPRESSAVG: 4256600 -11.9712 -68.922 -62.9344 -67.341 5.69887 -19.8635 -60.5504 -20.1747 -3.53625 TIMING: 4256600 CPU: 13296.4, 0.00313993/step Wall: 13296.4, 0.00313993/step, 0.648395 hours remaining, 233.683594 MB of memory in use. ENERGY: 4256600 4005.1557 20599.1898 14438.3312 223.8477 -203592.6028 2731.4140 0.0000 0.0000 52148.6644 -109445.9999 299.6991 -161594.6643 -109089.1838 299.3033 -62.4006 -37.5957 761337.3197 -3.1575 -3.2695 PRESSURE: 4256800 68.4814 84.8817 -70.8787 84.8821 59.3136 -3.39185 -70.879 -3.39186 80.217 GPRESSURE: 4256800 152.362 44.2203 -173.877 36.829 68.75 4.26085 -107.296 -29.4722 86.8501 PRESSAVG: 4256800 8.9507 -47.0428 14.2092 -47.0428 -13.6426 -19.6967 14.2092 -19.6967 -4.77953 GPRESSAVG: 4256800 9.57261 -47.9034 14.4241 -49.0217 -14.235 -19.6147 13.8798 -20.2995 -4.8849 TIMING: 4256800 CPU: 13297, 0.00315041/step Wall: 13297, 0.00315041/step, 0.650384 hours remaining, 233.683594 MB of memory in use. ENERGY: 4256800 3942.0157 20520.4025 14465.2390 237.6657 -203296.9478 2724.6738 0.0000 0.0000 52059.7875 -109347.1636 299.1883 -161406.9511 -108987.1139 298.9098 69.3374 102.6542 763418.6456 -3.1571 -3.1824 PRESSURE: 4257000 81.9321 -127.154 -20.8853 -127.154 165.198 176.812 -20.8862 176.811 146.219 GPRESSURE: 4257000 205.971 -153.524 -135.834 -111.187 174.602 43.6888 -42.8288 103.495 94.213 PRESSAVG: 4257000 -7.57021 -9.43096 26.899 -9.43098 -3.00479 -3.7807 26.899 -3.78075 -11.0959 GPRESSAVG: 4257000 -7.12656 -7.80996 25.5173 -9.93442 -4.93372 -4.79091 27.1264 -1.92577 -9.82385 TIMING: 4257000 CPU: 13297.6, 0.00312843/step Wall: 13297.6, 0.00312843/step, 0.645673 hours remaining, 233.750000 MB of memory in use. ENERGY: 4257000 3911.6878 20466.1183 14459.5654 248.9948 -203184.4428 2683.1190 0.0000 0.0000 52210.7750 -109204.1825 300.0560 -161414.9575 -108838.5693 299.1878 131.1166 158.2622 761797.0437 -7.2236 -7.2947 PRESSURE: 4257200 282.563 6.26242 -196.718 6.26229 211.9 27.1269 -196.718 27.1265 -169.095 GPRESSURE: 4257200 209.168 93.3483 -182.222 -84.621 223.71 31.5792 -239.453 119.705 -43.6359 PRESSAVG: 4257200 0.0910531 20.2471 -25.9156 20.247 -17.4284 3.37393 -25.9156 3.37398 14.2147 GPRESSAVG: 4257200 -0.0361564 22.2138 -24.5549 19.9692 -16.7816 4.86651 -25.7136 2.3636 13.4254 TIMING: 4257200 CPU: 13298.3, 0.00311486/step Wall: 13298.3, 0.00311486/step, 0.642699 hours remaining, 233.750000 MB of memory in use. ENERGY: 4257200 3955.4706 20506.2852 14476.6750 234.3429 -203692.8623 3069.9708 0.0000 0.0000 52030.7566 -109419.3612 299.0215 -161450.1178 -109046.2564 298.7077 108.4560 129.7472 762023.0673 -1.0409 -1.1308 PRESSURE: 4257400 -164.379 71.8868 207.405 71.8871 -449.777 -70.501 207.406 -70.5013 300.77 GPRESSURE: 4257400 -114.524 69.8253 103.312 107.769 -378.606 -26.7971 239.777 -18.6463 261.153 PRESSAVG: 4257400 19.294 -9.00841 -35.4356 -9.00838 -57.5664 51.5306 -35.4355 51.5306 18.2098 GPRESSAVG: 4257400 19.6236 -11.0801 -35.2871 -8.45923 -56.3706 50.9668 -34.5725 52.2888 16.2566 TIMING: 4257400 CPU: 13298.9, 0.00310933/step Wall: 13298.9, 0.00310933/step, 0.641385 hours remaining, 233.750000 MB of memory in use. ENERGY: 4257400 3920.4252 20579.0956 14488.3733 237.8410 -203060.9395 2422.8813 0.0000 0.0000 52088.2822 -109324.0408 299.3521 -161412.3231 -108959.3488 298.8044 -104.4620 -77.3256 763421.3014 -6.6875 -6.8301 PRESSURE: 4257600 -275.611 150.393 162.5 150.394 -445.225 -33.3929 162.5 -33.3936 -0.289775 GPRESSURE: 4257600 -257.478 178.486 104.776 72.276 -364.158 33.7217 64.687 17.939 -12.2807 PRESSAVG: 4257600 31.041 12.3464 12.3469 12.3464 -20.3673 6.65994 12.3468 6.65991 -0.644956 GPRESSAVG: 4257600 31.327 11.4388 12.5357 13.2027 -21.5667 6.48533 11.7209 5.03724 0.417804 TIMING: 4257600 CPU: 13299.5, 0.00312373/step Wall: 13299.5, 0.00312373/step, 0.644183 hours remaining, 233.750000 MB of memory in use. ENERGY: 4257600 3926.1840 20538.1676 14463.7604 244.2744 -202761.1420 2166.2190 0.0000 0.0000 52124.2611 -109298.2755 299.5588 -161422.5366 -108945.1585 298.9323 -240.3754 -211.3058 762194.1752 3.3429 3.3927 PRESSURE: 4257800 5.44933 49.1467 292.366 49.1462 152.525 -7.55188 292.366 -7.5518 288.953 GPRESSURE: 4257800 -24.0748 -40.3269 420.987 32.4062 234.39 -9.72361 242.445 88.2316 330.273 PRESSAVG: 4257800 -45.0414 -28.6159 7.99842 -28.6159 -19.0382 11.4887 7.99834 11.4887 -7.57301 GPRESSAVG: 4257800 -46.4414 -26.922 9.01638 -31.4536 -18.0178 11.992 6.90148 12.413 -6.92328 TIMING: 4257800 CPU: 13300.1, 0.0031287/step Wall: 13300.1, 0.0031287/step, 0.645034 hours remaining, 233.750000 MB of memory in use. ENERGY: 4257800 3852.7365 20360.6665 14404.7963 241.7057 -203188.0243 2872.5456 0.0000 0.0000 52135.3603 -109320.2134 299.6226 -161455.5737 -108956.5015 298.7349 148.9757 180.1961 763401.6498 -23.8842 -23.7942 PRESSURE: 4258000 -238.142 -227.097 47.4322 -227.097 24.9681 -62.1923 47.4332 -62.1923 -145.983 GPRESSURE: 4258000 -260.164 -321.293 58.7631 -236.817 33.7777 -18.4598 -21.0282 -14.4255 -81.0752 PRESSAVG: 4258000 -16.3249 -54.0238 -53.8179 -54.0238 -17.398 43.9195 -53.8179 43.9195 13.8806 GPRESSAVG: 4258000 -16.6234 -52.7189 -55.0585 -53.8658 -17.5695 44.6927 -52.0438 44.7812 14.3447 TIMING: 4258000 CPU: 13300.8, 0.00313116/step Wall: 13300.8, 0.00313116/step, 0.645367 hours remaining, 233.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4258000 3971.6448 20532.5105 14512.3324 242.7896 -202716.5700 2557.7415 0.0000 0.0000 51730.2934 -109169.2579 297.2947 -160899.5513 -108817.8799 298.9170 -119.7191 -102.4871 764831.4370 -6.6141 -6.6161 PRESSURE: 4258200 -15.8056 78.0909 238.556 78.091 -138.005 10.1872 238.556 10.1861 508.817 GPRESSURE: 4258200 54.4531 53.5338 157.67 86.7951 -123.785 -49.5038 209.025 -34.1109 488.681 PRESSAVG: 4258200 -11.1964 -18.9727 -24.0183 -18.9727 -30.1514 32.7235 -24.0183 32.7235 -15.0699 GPRESSAVG: 4258200 -10.5856 -20.8434 -22.7562 -17.7235 -30.989 32.3572 -24.2965 32.0804 -15.0697 TIMING: 4258200 CPU: 13301.4, 0.00313647/step Wall: 13301.4, 0.00313647/step, 0.646287 hours remaining, 233.750000 MB of memory in use. ENERGY: 4258200 3999.1664 20369.1769 14512.3285 232.5238 -203098.3154 2431.3626 0.0000 0.0000 52094.1296 -109459.6276 299.3857 -161553.7573 -109101.5864 298.5016 118.3354 139.7829 763047.6387 -18.8059 -18.8814 PRESSURE: 4258400 49.5742 -147.772 -99.7101 -147.771 35.25 -177.395 -99.7103 -177.395 -55.9258 GPRESSURE: 4258400 9.60646 -205.703 -14.6392 -108.636 176.331 -151.808 -172.258 -120.926 -81.4498 PRESSAVG: 4258400 57.7013 -66.1623 7.92102 -66.1624 -58.1489 -13.6632 7.92097 -13.6632 6.11068 GPRESSAVG: 4258400 57.9031 -65.7691 7.55149 -67.2486 -57.7669 -13.3429 7.34992 -14.7368 5.46598 TIMING: 4258400 CPU: 13302, 0.00311728/step Wall: 13302, 0.00311728/step, 0.642159 hours remaining, 233.750000 MB of memory in use. ENERGY: 4258400 3895.0904 20437.9018 14434.8396 239.2975 -203124.4664 3000.3956 0.0000 0.0000 51926.2456 -109190.6959 298.4208 -161116.9415 -108829.9763 298.7357 9.6328 34.8293 764514.6545 1.8877 1.8674 PRESSURE: 4258600 42.6154 4.50732 -69.5275 4.508 326.457 -127.71 -69.5277 -127.71 -23.4476 GPRESSURE: 4258600 101.077 -119.849 -110.874 91.4876 308.296 -122.743 -39.1518 -140.357 34.0525 PRESSAVG: 4258600 -14.689 26.5817 -29.2812 26.5817 29.2165 -10.8627 -29.2812 -10.8628 20.3066 GPRESSAVG: 4258600 -13.4992 24.9384 -30.1112 30.0017 27.815 -13.877 -29.2978 -7.72265 20.9747 TIMING: 4258600 CPU: 13302.6, 0.00311228/step Wall: 13302.6, 0.00311228/step, 0.640957 hours remaining, 233.750000 MB of memory in use. ENERGY: 4258600 4031.6781 20486.0726 14403.1662 253.9745 -203221.6992 2946.5065 0.0000 0.0000 51938.1114 -109162.1900 298.4890 -161100.3014 -108806.9988 299.2941 115.2083 147.8086 763194.1780 11.6114 11.7635 PRESSURE: 4258800 -317.035 40.6867 -86.1337 40.687 -20.2067 -20.7739 -86.1329 -20.773 23.0473 GPRESSURE: 4258800 -240.153 1.69041 -83.5808 61.0621 43.615 -43.4215 -82.4688 -50.0356 -15.8275 PRESSAVG: 4258800 18.4741 -48.7206 -23.2293 -48.7207 -0.397835 62.8168 -23.2293 62.8169 10.7373 GPRESSAVG: 4258800 17.9867 -46.0991 -24.0775 -51.0762 0.354152 65.5936 -24.3532 59.4241 10.182 TIMING: 4258800 CPU: 13303.3, 0.00311634/step Wall: 13303.3, 0.00311634/step, 0.641621 hours remaining, 233.750000 MB of memory in use. ENERGY: 4258800 4025.8659 20457.7001 14358.9110 233.8362 -203726.2403 3253.9384 0.0000 0.0000 52102.6392 -109293.3494 299.4346 -161395.9886 -108927.3515 299.4236 -104.7316 -70.7883 763924.8126 9.6045 9.5076 PRESSURE: 4259000 -388.102 115.021 91.5408 115.022 -255.057 83.336 91.5406 83.3373 -48.9534 GPRESSURE: 4259000 -306.688 -5.9019 73.7511 260.5 -245.762 -35.5169 7.98784 96.6999 -48.235 PRESSAVG: 4259000 17.6912 -25.9837 -5.84834 -25.9837 15.8232 52.1422 -5.8483 52.1422 -8.68788 GPRESSAVG: 4259000 17.4448 -26.0829 -5.07977 -25.4505 15.3919 50.8459 -5.05168 54.3667 -8.69624 TIMING: 4259000 CPU: 13303.9, 0.00311579/step Wall: 13303.9, 0.00311579/step, 0.641333 hours remaining, 233.750000 MB of memory in use. ENERGY: 4259000 4009.9757 20419.0715 14436.9784 234.0513 -203357.3107 2721.4330 0.0000 0.0000 52257.3605 -109278.4403 300.3238 -161535.8008 -108920.4830 298.4399 -230.7044 -200.2282 762992.2648 8.2755 8.0468 PRESSURE: 4259200 73.511 -74.969 -31.1322 -74.9689 -181.705 16.609 -31.1319 16.6085 144.892 GPRESSURE: 4259200 44.0779 -82.5329 13.9581 -118.479 -48.5674 -12.6634 -62.1437 -81.7855 136.099 PRESSAVG: 4259200 25.389 -4.23022 -4.37406 -4.23023 -63.1152 14.9774 -4.37411 14.9774 2.37524 GPRESSAVG: 4259200 25.7615 -7.1711 -6.40267 -1.61333 -62.3018 16.5754 -4.81056 13.3613 1.19496 TIMING: 4259200 CPU: 13304.5, 0.00312749/step Wall: 13304.5, 0.00312749/step, 0.643569 hours remaining, 233.750000 MB of memory in use. ENERGY: 4259200 3965.7014 20569.7023 14488.9585 256.9794 -203363.8407 2662.1754 0.0000 0.0000 52042.6809 -109377.6427 299.0900 -161420.3236 -109015.2071 298.8701 12.2328 43.8698 763959.3220 -11.7837 -11.7818 PRESSURE: 4259400 -163.329 -31.6276 -180.64 -31.6284 -67.5545 -267.781 -180.639 -267.781 -467.075 GPRESSURE: 4259400 -177.987 -74.3236 -205.318 -19.1047 -30.6521 -271.915 -75.6375 -265.089 -421.196 PRESSAVG: 4259400 22.2585 1.77335 -24.5023 1.77334 -43.3029 25.5637 -24.5022 25.5637 9.08089 GPRESSAVG: 4259400 22.2201 4.79038 -25.511 -0.271343 -43.1293 22.9225 -22.2702 27.5817 9.09869 TIMING: 4259400 CPU: 13305.1, 0.00313487/step Wall: 13305.1, 0.00313487/step, 0.644913 hours remaining, 233.750000 MB of memory in use. ENERGY: 4259400 4086.1669 20496.4951 14433.6813 232.9744 -203009.3468 2566.4856 0.0000 0.0000 51867.9559 -109325.5875 298.0859 -161193.5435 -108966.9755 298.2815 -232.6526 -209.9453 764062.3205 -3.9878 -3.9368 PRESSURE: 4259600 190.324 23.4024 11.7373 23.4024 211.679 187.262 11.7384 187.263 74.7964 GPRESSURE: 4259600 169.985 4.75763 -40.1 71.1189 255.381 163.406 -22.1301 72.1767 158.92 PRESSAVG: 4259600 31.2259 45.6992 -61.6768 45.6992 2.26784 4.75903 -61.6768 4.75904 -27.0488 GPRESSAVG: 4259600 29.8668 44.3456 -59.2595 46.0399 2.84752 7.2143 -61.7765 3.71277 -26.4891 TIMING: 4259600 CPU: 13305.8, 0.00311481/step Wall: 13305.8, 0.00311481/step, 0.640613 hours remaining, 233.750000 MB of memory in use. ENERGY: 4259600 4002.5721 20454.4759 14432.8178 235.1497 -203694.6880 3053.3693 0.0000 0.0000 52139.1960 -109377.1071 299.6447 -161516.3032 -109016.6791 298.5780 158.9330 194.7616 763060.5515 2.1483 2.0751 PRESSURE: 4259800 9.90659 51.2484 -105.264 51.2498 -127.942 25.0093 -105.264 25.0091 -379.829 GPRESSURE: 4259800 66.0938 33.1181 37.3988 -2.01722 -157.872 -13.1052 -38.3043 18.1782 -306.093 PRESSAVG: 4259800 -7.13026 48.5712 -47.3573 48.5712 -16.2283 -13.5908 -47.3573 -13.5908 6.04619 GPRESSAVG: 4259800 -6.00012 48.8625 -46.2463 46.6495 -17.2078 -15.5788 -47.8428 -13.9581 5.81394 TIMING: 4259800 CPU: 13306.4, 0.00311027/step Wall: 13306.4, 0.00311027/step, 0.639506 hours remaining, 233.750000 MB of memory in use. ENERGY: 4259800 4053.1847 20542.7693 14527.9697 232.2366 -203161.0200 2744.6228 0.0000 0.0000 51723.0136 -109337.2232 297.2529 -161060.2368 -108970.4680 298.8096 -165.9547 -132.6237 762043.4094 -5.7708 -5.7980 PRESSURE: 4260000 41.1594 136.207 -21.6656 136.207 -587.479 23.5751 -21.6658 23.5741 87.4559 GPRESSURE: 4260000 24.9085 156.525 -25.0843 76.5349 -502.145 -130.337 -95.7744 156.159 103.428 PRESSAVG: 4260000 -1.81683 26.9307 -18.9817 26.9306 3.71576 18.5366 -18.9817 18.5366 0.429471 GPRESSAVG: 4260000 -1.30172 26.9378 -17.1609 26.1843 3.37654 18.4837 -21.2098 20.6827 0.618601 TIMING: 4260000 CPU: 13307, 0.00312813/step Wall: 13307, 0.00312813/step, 0.643004 hours remaining, 233.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4260000 4013.1359 20530.3870 14476.0172 252.2117 -203201.2006 2539.7046 0.0000 0.0000 52151.2049 -109238.5394 299.7137 -161389.7443 -108865.6226 299.2897 -152.9545 -124.6031 761662.6915 0.7761 0.8978 PRESSURE: 4260200 -410.562 46.385 211.742 46.3849 -76.8518 -6.97882 211.742 -6.97897 408.349 GPRESSURE: 4260200 -240.434 20.0038 212.799 76.5835 -116.482 -15.5168 169.568 -4.08173 330.723 PRESSAVG: 4260200 38.5076 -26.3564 -20.1185 -26.3565 -11.6033 21.6505 -20.1186 21.6505 -5.3377 GPRESSAVG: 4260200 38.4834 -26.2287 -22.4271 -25.0264 -12.6231 22.2712 -17.7597 21.0986 -4.91401 TIMING: 4260200 CPU: 13307.6, 0.00312238/step Wall: 13307.6, 0.00312238/step, 0.641648 hours remaining, 233.750000 MB of memory in use. ENERGY: 4260200 4015.8824 20370.2210 14497.4493 227.3693 -203266.7567 2710.8704 0.0000 0.0000 51971.7661 -109473.1981 298.6825 -161444.9643 -109104.3687 298.8518 -26.3551 -8.7309 762003.5436 7.1888 6.9821 LDB: ============= START OF LOAD BALANCING ============== 13320.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13320.1 LDB: =============== DONE WITH MIGRATION ================ 13320.1 LDB: ============= START OF LOAD BALANCING ============== 13320.4 LDB: Largest compute 7060 load 0.029694 is 15.2% of average load 0.195320 LDB: Average compute 0.004366 is 2.2% of average load 0.195320 LDB: TIME 13320.4 LOAD: AVG 0.19532 MAX 0.213916 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.387 MB LDB: TIME 13320.4 LOAD: AVG 0.19532 MAX 0.213916 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.465 MB LDB: TIME 13320.4 LOAD: AVG 0.19532 MAX 0.213916 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.465 MB LDB: ============== END OF LOAD BALANCING =============== 13320.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13320.4 PRESSURE: 4260400 92.8717 -19.2831 -51.3642 -19.2833 103.933 15.6816 -51.3643 15.6826 -219.387 GPRESSURE: 4260400 128.836 -9.7041 -4.38161 19.062 88.9826 -47.8762 -37.6288 9.44751 -153.167 PRESSAVG: 4260400 3.45469 9.18281 -38.0578 9.18276 -0.0266816 19.8329 -38.0578 19.8329 9.65407 GPRESSAVG: 4260400 2.90076 7.42443 -37.408 10.2479 0.685693 20.2499 -40.6219 19.3747 9.51365 TIMING: 4260400 CPU: 13308.3, 0.00317491/step Wall: 13308.3, 0.00317491/step, 0.652267 hours remaining, 234.261719 MB of memory in use. ENERGY: 4260400 4015.0558 20589.5614 14400.3794 253.8521 -203435.2177 2770.2742 0.0000 0.0000 52125.6699 -109280.4249 299.5669 -161406.0948 -108909.8826 298.7795 -7.5274 21.5506 762233.0463 4.3607 4.3667 PRESSURE: 4260600 130.233 84.0735 -65.5439 84.0735 -240.822 17.3695 -65.5435 17.3692 -236.745 GPRESSURE: 4260600 31.1668 45.2155 23.1642 215.885 -60.8904 90.6265 -52.1082 47.1048 -238.379 PRESSAVG: 4260600 3.37037 5.67903 7.87421 5.67896 43.2822 21.7571 7.87424 21.757 8.29439 GPRESSAVG: 4260600 3.40496 6.98004 7.73187 6.88732 43.9406 22.526 7.73889 22.1019 8.25679 TIMING: 4260600 CPU: 13308.9, 0.0031263/step Wall: 13308.9, 0.0031263/step, 0.642107 hours remaining, 234.386719 MB of memory in use. ENERGY: 4260600 4028.3040 20460.6530 14435.0130 254.5729 -203250.8915 2541.0365 0.0000 0.0000 52045.6196 -109485.6924 299.1069 -161531.3120 -109132.0805 299.2173 -115.7781 -89.3676 761136.0247 18.3157 18.5341 PRESSURE: 4260800 -79.9931 164.403 -35.1122 164.404 -159.745 213.051 -35.1115 213.051 362.99 GPRESSURE: 4260800 -68.0364 116.093 21.4791 158.219 -53.8487 184.775 -150.683 120.261 333.992 PRESSAVG: 4260800 -18.7221 34.3646 -26.0504 34.3646 25.8565 29.4115 -26.0503 29.4114 -14.8545 GPRESSAVG: 4260800 -18.8329 34.9559 -25.519 33.2629 26.0733 30.2384 -26.0861 28.2904 -14.1571 TIMING: 4260800 CPU: 13309.5, 0.00312112/step Wall: 13309.5, 0.00312112/step, 0.64087 hours remaining, 234.386719 MB of memory in use. ENERGY: 4260800 3969.6316 20460.6092 14522.1964 249.1432 -203225.4562 2731.2541 0.0000 0.0000 52004.9244 -109287.6973 298.8730 -161292.6217 -108926.1042 299.1198 41.0838 70.7023 761796.0954 -2.5734 -2.3056 PRESSURE: 4261000 -218.756 186.311 64.3252 186.31 99.3316 -195.956 64.325 -195.957 254.949 GPRESSURE: 4261000 -74.4021 221.249 112.376 104.263 17.2972 -214.913 128.378 -100.902 284.075 PRESSAVG: 4261000 37.0833 38.5644 5.37393 38.5644 -30.1821 17.1781 5.37389 17.1781 30.9128 GPRESSAVG: 4261000 39.4281 37.6914 5.21084 39.0966 -31.1213 15.501 8.23439 16.7529 29.7601 TIMING: 4261000 CPU: 13310.1, 0.00312596/step Wall: 13310.1, 0.00312596/step, 0.64169 hours remaining, 234.386719 MB of memory in use. ENERGY: 4261000 4015.4847 20536.7626 14461.1450 240.8730 -203234.8402 2678.2361 0.0000 0.0000 51941.9029 -109360.4360 298.5108 -161302.3389 -109005.6387 299.1592 45.1748 75.6568 761974.6904 12.6047 12.6890 PRESSURE: 4261200 -272.272 -70.7066 -9.29664 -70.7072 -180.206 -6.66761 -9.29628 -6.66763 -191.713 GPRESSURE: 4261200 -186.38 2.23285 68.6038 -43.4985 -185.275 -12.5614 12.8706 55.5146 -178.654 PRESSAVG: 4261200 9.82084 8.44228 -38.9714 8.44229 11.1341 13.7091 -38.9714 13.7091 1.38035 GPRESSAVG: 4261200 7.15582 8.90174 -38.3927 6.24489 12.4068 11.9721 -38.597 15.3125 3.11882 TIMING: 4261200 CPU: 13310.8, 0.00311648/step Wall: 13310.8, 0.00311648/step, 0.639572 hours remaining, 234.386719 MB of memory in use. ENERGY: 4261200 4088.1888 20501.3242 14507.6704 270.6128 -202784.7021 2212.3218 0.0000 0.0000 52108.2637 -109096.3202 299.4669 -161204.5839 -108719.2189 299.5614 -214.7302 -183.4364 762984.0000 7.4451 7.5605 PRESSURE: 4261400 285.885 -16.8984 139.054 -16.8988 153.133 74.3843 139.055 74.3848 632.861 GPRESSURE: 4261400 303.987 87.4716 122.163 -87.8072 288.779 117.925 101.937 -40.1218 587.971 PRESSAVG: 4261400 12.1097 -30.7189 23.5038 -30.7189 -13.5004 -13.0854 23.5038 -13.0853 -14.4952 GPRESSAVG: 4261400 12.6355 -30.4534 23.4878 -28.315 -14.0159 -12.2598 22.1295 -12.4594 -16.0112 TIMING: 4261400 CPU: 13311.4, 0.0031023/step Wall: 13311.4, 0.00310231/step, 0.63649 hours remaining, 234.386719 MB of memory in use. ENERGY: 4261400 3950.1942 20570.3489 14469.8691 227.0386 -203752.8053 3241.4369 0.0000 0.0000 52136.5662 -109157.3514 299.6296 -161293.9176 -108784.9837 299.2860 357.2929 393.5791 761899.9276 -5.2953 -5.7972 PRESSURE: 4261600 -189.807 -148.432 219.456 -148.432 -263.525 341.401 219.456 341.4 -265.76 GPRESSURE: 4261600 -169.221 -122.069 251.2 -127.343 -199.122 390.836 194.297 293.718 -258.835 PRESSAVG: 4261600 3.99006 -65.061 -5.71965 -65.061 8.0803 37.5236 -5.71962 37.5236 6.21942 GPRESSAVG: 4261600 3.86463 -64.8127 -6.73955 -65.7635 7.6715 36.5389 -5.27169 37.4475 7.17177 TIMING: 4261600 CPU: 13312, 0.00312217/step Wall: 13312, 0.00312217/step, 0.640391 hours remaining, 234.386719 MB of memory in use. ENERGY: 4261600 4033.4004 20490.2532 14470.5432 247.3922 -203059.5803 2461.0029 0.0000 0.0000 52227.3824 -109129.6060 300.1515 -161356.9885 -108772.0260 299.2855 -239.6974 -209.0593 763954.5292 6.0966 6.2360 PRESSURE: 4261800 -245.879 68.748 -342.52 68.7475 -352.737 266.111 -342.52 266.11 -91.6272 GPRESSURE: 4261800 -220.651 72.6755 -239.169 -44.8503 -313.497 241.401 -346.216 182.466 -59.6491 PRESSAVG: 4261800 39.7608 22.5214 9.02794 22.5214 -30.0095 46.1698 9.02801 46.1698 11.0217 GPRESSAVG: 4261800 41.35 22.0528 10.828 21.904 -30.0751 49.0247 8.38514 44.4396 10.122 TIMING: 4261800 CPU: 13312.6, 0.00311516/step Wall: 13312.6, 0.00311516/step, 0.638781 hours remaining, 234.386719 MB of memory in use. ENERGY: 4261800 3997.2492 20426.6449 14436.3615 253.4800 -202814.6299 2425.6126 0.0000 0.0000 52149.8460 -109125.4357 299.7059 -161275.2817 -108754.0377 299.8362 -230.0811 -197.9322 763055.2208 6.9243 7.1323 PRESSURE: 4262000 -373.651 101.279 -134.646 101.28 -459.164 -132.977 -134.646 -132.976 250.812 GPRESSURE: 4262000 -328.618 104.949 -158.403 69.4884 -482.289 -78.761 -144.436 54.6725 308.436 PRESSAVG: 4262000 86.8487 4.33123 -7.27576 4.33125 -79.1321 48.5946 -7.27576 48.5946 3.36436 GPRESSAVG: 4262000 85.7691 4.78059 -8.98229 3.54543 -78.413 46.0732 -7.65064 50.8403 4.26119 TIMING: 4262000 CPU: 13313.2, 0.00309881/step Wall: 13313.2, 0.00309881/step, 0.635256 hours remaining, 234.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4262000 3975.4874 20498.3972 14491.4282 247.2961 -202937.7853 2312.1667 0.0000 0.0000 52407.5943 -109005.4153 301.1872 -161413.0096 -108638.2956 299.6893 -194.0008 -167.4902 762781.0441 3.6937 3.8724 PRESSURE: 4262200 -180.241 -100.606 -5.22756 -100.606 -44.1299 -81.8818 -5.22816 -81.8817 73.9005 GPRESSURE: 4262200 -124.265 15.5312 25.1862 -100.302 -73.3059 -126.023 67.3343 -1.61182 122.095 PRESSAVG: 4262200 40.0117 -29.4052 -24.4583 -29.4051 -10.1706 9.81287 -24.4584 9.81286 -2.36743 GPRESSAVG: 4262200 40.5258 -30.2851 -24.8354 -28.5696 -10.6124 10.826 -22.0512 12.6479 -2.82497 TIMING: 4262200 CPU: 13313.9, 0.00312609/step Wall: 13313.9, 0.00312609/step, 0.640675 hours remaining, 234.386719 MB of memory in use. ENERGY: 4262200 3958.3462 20559.1000 14586.4625 227.4618 -203178.7834 2640.5599 0.0000 0.0000 52242.7583 -108964.0947 300.2398 -161206.8530 -108592.9739 300.1814 -50.1569 -25.1588 761099.6770 9.1579 9.0295 PRESSURE: 4262400 -122.984 -52.297 -56.2192 -52.2982 -189.788 162.185 -56.2191 162.185 -362.427 GPRESSURE: 4262400 -43.1547 -26.3016 -57.0807 -50.5346 -169.816 166.628 -136.329 238.377 -383.315 PRESSAVG: 4262400 -0.884196 17.0249 -10.0322 17.0248 -4.97877 50.1172 -10.0323 50.1172 -1.72462 GPRESSAVG: 4262400 -0.688869 15.3123 -9.00272 17.3078 -5.40623 50.7475 -11.415 47.2885 -1.43986 TIMING: 4262400 CPU: 13314.5, 0.00310656/step Wall: 13314.5, 0.00310656/step, 0.6365 hours remaining, 234.386719 MB of memory in use. ENERGY: 4262400 4079.7896 20364.0270 14449.8537 268.7271 -202768.8536 2343.0338 0.0000 0.0000 52242.9438 -109020.4785 300.2409 -161263.4223 -108642.0864 299.7134 -225.0662 -198.7619 763441.5458 -2.5292 -2.5117 PRESSURE: 4262600 45.9315 196.044 172.285 196.043 -19.7185 84.1134 172.285 84.114 53.9593 GPRESSURE: 4262600 61.0976 116.523 117.61 5.52053 20.653 22.7993 113.459 -0.357307 77.2679 PRESSAVG: 4262600 48.8003 3.58155 -26.6725 3.58159 -28.6762 74.7498 -26.6724 74.7498 12.1914 GPRESSAVG: 4262600 47.8191 5.99482 -26.8243 1.2366 -27.308 72.9717 -27.4777 72.7844 12.0849 TIMING: 4262600 CPU: 13315.1, 0.00311031/step Wall: 13315.1, 0.00311031/step, 0.637096 hours remaining, 234.386719 MB of memory in use. ENERGY: 4262600 3959.2169 20543.7417 14453.7551 255.5241 -203253.0213 2922.3666 0.0000 0.0000 51968.7984 -109149.6185 298.6654 -161118.4169 -108779.8062 298.9497 26.7241 53.0061 763156.1379 10.7718 10.8653 PRESSURE: 4262800 -394.165 -141.224 70.1283 -141.224 -205.538 101.381 70.129 101.381 58.5372 GPRESSURE: 4262800 -327.991 -152.69 107.205 -94.8627 -175.303 149.767 110.926 153.099 64.2017 PRESSAVG: 4262800 -42.5848 31.2279 -33.5483 31.2279 -0.317579 40.8739 -33.5484 40.8738 11.2572 GPRESSAVG: 4262800 -41.8637 28.6714 -33.9512 33.4255 -1.50883 41.6849 -33.1074 40.2977 11.4861 TIMING: 4262800 CPU: 13315.7, 0.00311395/step Wall: 13315.7, 0.00311395/step, 0.637667 hours remaining, 234.386719 MB of memory in use. ENERGY: 4262800 4069.5030 20528.9537 14481.4357 246.0365 -203210.0607 2519.4386 0.0000 0.0000 52019.3650 -109345.3282 298.9560 -161364.6932 -108976.7175 299.2001 -180.3887 -146.3641 762168.1578 -10.5484 -10.6288 PRESSURE: 4263000 97.0976 -162.752 82.0879 -162.752 14.298 -50.7944 82.0875 -50.7947 -374.205 GPRESSURE: 4263000 88.1947 -116.419 149.534 -141.282 105.041 -31.0521 102.656 -71.6433 -352.269 PRESSAVG: 4263000 13.0488 34.8243 -37.7077 34.8243 15.3061 13.8364 -37.7077 13.8364 -1.74755 GPRESSAVG: 4263000 13.4423 39.446 -36.5718 33.4437 15.767 13.945 -40.2232 16.807 -2.27449 TIMING: 4263000 CPU: 13316.4, 0.00312222/step Wall: 13316.4, 0.00312222/step, 0.639187 hours remaining, 234.386719 MB of memory in use. ENERGY: 4263000 3945.6558 20425.5899 14455.4956 253.5550 -202885.5442 2427.5683 0.0000 0.0000 52196.1346 -109181.5449 299.9719 -161377.6796 -108819.6643 298.7460 -87.6032 -53.0110 761185.7882 8.8691 8.9783 PRESSURE: 4263200 127.87 -148.332 43.6353 -148.332 155.907 199.991 43.6349 199.991 110.619 GPRESSURE: 4263200 204.649 -0.281323 29.61 -234.005 58.7455 85.4866 160.998 284.875 200.927 PRESSAVG: 4263200 29.2395 22.2438 16.608 22.2438 -19.7844 27.5454 16.608 27.5454 -14.3914 GPRESSAVG: 4263200 28.8751 19.4002 16.6257 25.5899 -20.1269 27.611 19.7386 27.4639 -13.6053 TIMING: 4263200 CPU: 13317, 0.00312883/step Wall: 13317, 0.00312883/step, 0.640367 hours remaining, 234.386719 MB of memory in use. ENERGY: 4263200 3938.4004 20618.6358 14474.6865 245.2644 -203986.5874 3211.9232 0.0000 0.0000 52289.7906 -109207.8865 300.5101 -161497.6771 -108842.0265 299.7449 131.4653 154.7739 761444.2714 -1.6454 -1.6190 PRESSURE: 4263400 -120.745 -164.485 -77.7134 -164.486 -377.526 -15.7242 -77.7129 -15.724 32.5135 GPRESSURE: 4263400 -136.507 -119.544 -78.3741 -110.95 -323.642 -50.3312 20.1208 112.207 69.0535 PRESSAVG: 4263400 -15.8677 17.4399 18.6471 17.4399 34.9153 27.204 18.647 27.2039 -0.459952 GPRESSAVG: 4263400 -16.9282 19.3426 17.0567 15.7837 36.119 27.8767 18.746 26.7025 -0.638266 TIMING: 4263400 CPU: 13317.6, 0.00312407/step Wall: 13317.6, 0.00312407/step, 0.63922 hours remaining, 234.386719 MB of memory in use. ENERGY: 4263400 3966.0731 20474.6668 14469.5029 256.5788 -203290.0064 2631.7142 0.0000 0.0000 52011.3344 -109480.1363 298.9099 -161491.4706 -109121.5346 299.1034 -155.2525 -130.3651 762279.6620 6.1959 6.1842 PRESSURE: 4263600 -87.1862 151.624 -123.87 151.624 -18.1279 26.4976 -123.869 26.498 -41.2587 GPRESSURE: 4263600 -13.4347 147.78 -109.411 4.83401 -17.1536 130.189 -41.8631 51.059 -30.011 PRESSAVG: 4263600 -13.6095 41.107 12.7723 41.107 17.6387 1.35114 12.7723 1.35118 -17.5888 GPRESSAVG: 4263600 -13.09 38.9667 14.8079 41.3419 17.5167 1.07032 10.0455 0.813463 -17.6421 TIMING: 4263600 CPU: 13318.2, 0.0031163/step Wall: 13318.2, 0.0031163/step, 0.637457 hours remaining, 234.386719 MB of memory in use. ENERGY: 4263600 3978.5631 20590.5552 14466.6666 244.0620 -203123.3742 2455.7352 0.0000 0.0000 51909.1863 -109478.6058 298.3228 -161387.7921 -109115.3385 298.4810 -48.8576 -20.1998 762259.0229 -4.5199 -4.4051 PRESSURE: 4263800 -176.59 298.171 174.419 298.17 -60.7742 -0.182842 174.419 -0.182557 131.87 GPRESSURE: 4263800 -72.9956 186.956 158.364 164.478 -108.199 -40.5055 76.2333 -30.8748 176.44 PRESSAVG: 4263800 -32.6589 56.5847 -29.132 56.5847 73.9528 6.83233 -29.132 6.83235 -27.2145 GPRESSAVG: 4263800 -32.0491 57.1698 -29.9424 55.7794 71.7963 5.85896 -28.0111 7.43452 -26.1543 TIMING: 4263800 CPU: 13318.9, 0.00311143/step Wall: 13318.9, 0.00311143/step, 0.636288 hours remaining, 234.386719 MB of memory in use. ENERGY: 4263800 3942.1013 20463.1787 14478.3585 248.9765 -203073.5924 2573.4025 0.0000 0.0000 52048.1838 -109319.3910 299.1216 -161367.5749 -108952.7822 299.1480 -35.1648 -1.5846 761552.6955 4.6931 4.5310 PRESSURE: 4264000 -319.708 100.54 -192.255 100.54 -311.009 121.959 -192.254 121.959 -290.991 GPRESSURE: 4264000 -335.87 45.1123 -170.449 70.0529 -159.99 142.633 -205.501 145.434 -304.29 PRESSAVG: 4264000 21.2094 -6.46306 -37.9582 -6.46309 -7.36891 31.3865 -37.9582 31.3865 5.68349 GPRESSAVG: 4264000 20.3308 -8.38291 -37.2832 -4.10893 -5.67842 31.9323 -39.3088 31.5157 5.05196 TIMING: 4264000 CPU: 13319.5, 0.00312091/step Wall: 13319.5, 0.00312091/step, 0.638053 hours remaining, 234.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4264000 4041.0714 20264.4160 14474.1705 237.2023 -202813.0478 2425.8476 0.0000 0.0000 52007.6966 -109362.6434 298.8889 -161370.3400 -109005.8400 299.1213 -307.2358 -266.7167 762377.4300 6.5080 6.5681 PRESSURE: 4264200 124.374 266.199 -304.724 266.199 -6.12279 248.016 -304.723 248.017 -359.625 GPRESSURE: 4264200 58.906 360.636 -298.204 162.866 138.308 262.193 -176.097 361.156 -344.95 PRESSAVG: 4264200 9.97447 -33.575 -52.6912 -33.575 -18.9775 19.1825 -52.6912 19.1825 3.72049 GPRESSAVG: 4264200 10.9686 -32.3061 -53.3835 -33.6892 -18.5878 18.674 -48.1876 22.0069 3.01049 TIMING: 4264200 CPU: 13320.1, 0.00312184/step Wall: 13320.1, 0.00312184/step, 0.638069 hours remaining, 234.386719 MB of memory in use. ENERGY: 4264200 3912.6441 20416.8504 14386.8258 248.1203 -203089.3560 2568.7640 0.0000 0.0000 51828.8169 -109727.3345 297.8609 -161556.1514 -109353.8153 298.1011 -80.4581 -49.2452 762284.0234 -1.7609 -1.5362 LDB: ============= START OF LOAD BALANCING ============== 13332.6 LDB: ============== END OF LOAD BALANCING =============== 13332.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13332.6 LDB: ============= START OF LOAD BALANCING ============== 13332.9 LDB: Largest compute 7051 load 0.030975 is 15.9% of average load 0.195268 LDB: Average compute 0.004394 is 2.3% of average load 0.195268 LDB: TIME 13332.9 LOAD: AVG 0.195268 MAX 0.216132 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.262 MB LDB: TIME 13332.9 LOAD: AVG 0.195268 MAX 0.216132 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.262 MB LDB: TIME 13332.9 LOAD: AVG 0.195268 MAX 0.216132 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.262 MB LDB: ============== END OF LOAD BALANCING =============== 13332.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13332.9 PRESSURE: 4264400 -26.8373 57.0326 131.945 57.0334 247.39 -55.9297 131.945 -55.9297 30.8043 GPRESSURE: 4264400 25.3945 -37.5326 101.902 37.3994 258.023 -125.015 40.1962 -66.3113 69.8107 PRESSAVG: 4264400 -11.9665 7.77584 -33.936 7.77584 38.7382 2.89428 -33.9361 2.89422 17.0393 GPRESSAVG: 4264400 -11.1466 8.10668 -33.0023 5.73755 37.7557 2.58844 -38.1276 -0.494453 17.1848 TIMING: 4264400 CPU: 13320.7, 0.00319752/step Wall: 13320.7, 0.00319752/step, 0.653359 hours remaining, 234.058594 MB of memory in use. ENERGY: 4264400 3945.5088 20340.2679 14432.7799 239.4955 -203004.8320 2375.6240 0.0000 0.0000 51766.7333 -109904.4226 297.5041 -161671.1559 -109536.2299 297.2681 83.7858 117.7426 761566.7964 14.6036 14.5980 PRESSURE: 4264600 45.1643 49.0247 141.282 49.0256 -259.088 282.992 141.283 282.991 662.004 GPRESSURE: 4264600 7.56477 109.128 142.243 48.5024 -192.583 252.947 170.377 256.511 712.193 PRESSAVG: 4264600 -26.8232 -37.6615 14.6053 -37.6614 70.1206 27.1239 14.6053 27.124 -3.94906 GPRESSAVG: 4264600 -27.4068 -38.5674 13.0765 -35.8041 71.5315 27.9844 13.8578 26.7782 -4.91141 TIMING: 4264600 CPU: 13321.4, 0.00313792/step Wall: 13321.4, 0.00313792/step, 0.641007 hours remaining, 234.261719 MB of memory in use. ENERGY: 4264600 3943.0843 20476.0107 14445.2880 237.2347 -202906.9295 2420.7841 0.0000 0.0000 51675.6467 -109708.8809 296.9807 -161384.5276 -109355.7063 297.6315 149.3599 175.7249 762442.8652 13.1161 13.0711 PRESSURE: 4264800 -352.728 -40.2347 11.7286 -40.2339 -234.571 -49.5009 11.7294 -49.5011 -140.626 GPRESSURE: 4264800 -282.737 13.6004 2.0702 -76.1414 -225.062 -104.691 51.3762 -25.7151 -129.784 PRESSAVG: 4264800 -63.6568 -18.9138 -38.005 -18.9138 30.424 40.3773 -38.0051 40.3773 0.456822 GPRESSAVG: 4264800 -63.3574 -16.9074 -38.138 -20.3619 29.1425 39.6824 -35.7468 43.088 1.17054 TIMING: 4264800 CPU: 13322, 0.00313474/step Wall: 13322, 0.00313474/step, 0.640184 hours remaining, 234.464844 MB of memory in use. ENERGY: 4264800 4001.5266 20506.9042 14500.3891 265.3412 -203154.0717 2385.7373 0.0000 0.0000 51659.6680 -109834.5053 296.8888 -161494.1733 -109476.8837 297.8475 -242.6418 -212.5278 762457.0156 -10.9253 -11.0148 PRESSURE: 4265000 -234.12 267.043 119.87 267.042 -63.1488 94.6724 119.87 94.6726 93.1419 GPRESSURE: 4265000 -199.05 319.218 214.651 186.728 -93.3548 184.662 80.4331 22.2137 158.297 PRESSAVG: 4265000 -9.85254 3.58269 -29.5018 3.58275 42.7835 38.2342 -29.5018 38.2341 -26.9646 GPRESSAVG: 4265000 -10.0181 2.12454 -29.4581 2.85632 42.0139 39.5023 -30.5981 36.0686 -26.6721 TIMING: 4265000 CPU: 13322.6, 0.00312429/step Wall: 13322.6, 0.00312429/step, 0.637876 hours remaining, 234.464844 MB of memory in use. ENERGY: 4265000 3978.9915 20442.9440 14457.9251 239.0625 -202948.0732 2542.5600 0.0000 0.0000 51577.3771 -109709.2129 296.4159 -161286.5901 -109355.5081 297.8194 -68.0423 -44.7028 762413.1064 1.9888 1.7746 PRESSURE: 4265200 -220.491 238.249 69.4093 238.25 430.29 -22.3193 69.4094 -22.32 25.3147 GPRESSURE: 4265200 -188.51 117.417 12.2017 225.415 441.298 -30.509 10.9402 -21.6908 57.844 PRESSAVG: 4265200 -3.27602 -22.5779 -48.662 -22.5779 -15.9213 9.56076 -48.6621 9.56075 7.08316 GPRESSAVG: 4265200 -3.64447 -23.2213 -48.1626 -21.7581 -15.3411 9.47888 -48.4285 10.3037 7.26074 TIMING: 4265200 CPU: 13323.2, 0.00312379/step Wall: 13323.2, 0.00312379/step, 0.637599 hours remaining, 234.464844 MB of memory in use. ENERGY: 4265200 3931.8996 20430.7448 14370.1202 245.6116 -203368.2955 2785.2520 0.0000 0.0000 52054.7717 -109549.8955 299.1595 -161604.6672 -109188.1984 297.7106 78.3712 103.5438 762319.7990 -4.0381 -3.9083 PRESSURE: 4265400 110.26 -10.1085 -67.2287 -10.1081 86.7966 -75.3297 -67.229 -75.3302 -0.704859 GPRESSURE: 4265400 191.613 14.5154 -111.206 -88.0484 131.011 -42.3751 -150.618 -87.2599 -37.8121 PRESSAVG: 4265400 -86.3743 -19.931 -23.8568 -19.931 56.3554 31.455 -23.8568 31.4549 -27.0708 GPRESSAVG: 4265400 -86.3455 -19.92 -24.2751 -18.59 56.4805 29.5345 -22.0226 32.1014 -26.3479 TIMING: 4265400 CPU: 13323.9, 0.0031223/step Wall: 13323.9, 0.0031223/step, 0.637123 hours remaining, 234.464844 MB of memory in use. ENERGY: 4265400 3978.7433 20621.1332 14419.5835 239.6064 -203046.4343 2605.5665 0.0000 0.0000 51805.5116 -109376.2899 297.7270 -161181.8015 -109021.4508 298.6204 65.4507 94.9372 762425.9518 -19.0299 -18.7376 PRESSURE: 4265600 182.073 -173.694 194.729 -173.693 -182.04 -34.8709 194.73 -34.8711 -281.085 GPRESSURE: 4265600 93.7624 -177.587 99.0988 -137.081 -69.6117 -153.342 137.952 -61.3119 -229.624 PRESSAVG: 4265600 6.63198 -6.67698 -54.9318 -6.67695 21.2899 21.9626 -54.9317 21.9625 -0.405963 GPRESSAVG: 4265600 5.82611 -2.36345 -55.8298 -9.64737 22.2409 23.1581 -57.3818 22.5067 -0.25508 TIMING: 4265600 CPU: 13324.5, 0.00315951/step Wall: 13324.5, 0.00315951/step, 0.64454 hours remaining, 234.464844 MB of memory in use. ENERGY: 4265600 3974.7629 20653.2817 14474.9467 224.6298 -202864.5334 2416.8014 0.0000 0.0000 51923.6670 -109196.4439 298.4060 -161120.1109 -108824.1193 298.6288 -93.6842 -68.4910 761600.0905 9.1720 9.2706 PRESSURE: 4265800 -93.1583 146.124 92.0526 146.123 -215.959 105.231 92.0526 105.231 295.088 GPRESSURE: 4265800 -192.402 162.581 52.6269 66.8913 -145.816 87.0409 64.2823 125.82 417.144 PRESSAVG: 4265800 -66.0384 11.2339 -41.7899 11.2339 88.9643 -2.46865 -41.7899 -2.46863 -14.5325 GPRESSAVG: 4265800 -65.7676 8.7214 -40.0609 11.8781 88.3414 -3.33462 -40.5641 -5.07438 -14.8316 TIMING: 4265800 CPU: 13325.1, 0.00312261/step Wall: 13325.1, 0.00312261/step, 0.636839 hours remaining, 234.464844 MB of memory in use. ENERGY: 4265800 3920.6676 20419.1431 14486.6785 249.0676 -203058.4100 2677.9083 0.0000 0.0000 52181.1239 -109123.8210 299.8856 -161304.9449 -108763.7789 299.4749 -4.6767 26.3084 762414.1216 2.7978 2.5807 PRESSURE: 4266000 56.1972 -28.2534 -45.8931 -28.2543 65.7243 79.0462 -45.8917 79.0465 -298.805 GPRESSURE: 4266000 60.7084 -65.149 35.0898 -107.274 166.197 45.8847 -5.70779 172.55 -317.679 PRESSAVG: 4266000 -44.6899 4.17985 -39.3283 4.17986 58.61 -46.7154 -39.3284 -46.7156 18.2899 GPRESSAVG: 4266000 -44.9884 3.31054 -39.7321 3.62083 58.4075 -45.7481 -37.974 -45.2104 18.2793 TIMING: 4266000 CPU: 13325.8, 0.00311704/step Wall: 13325.8, 0.00311704/step, 0.63553 hours remaining, 234.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4266000 3939.0052 20288.8267 14455.5981 250.0016 -202758.2470 2507.5653 0.0000 0.0000 52178.3284 -109138.9216 299.8696 -161317.2500 -108770.4529 298.9979 -58.9612 -30.2579 763403.5265 10.7367 10.5661 PRESSURE: 4266200 42.9587 22.4458 111.102 22.4467 53.141 -118.636 111.102 -118.637 304.183 GPRESSURE: 4266200 112.352 -13.4142 0.711561 143.259 106.847 -120.087 33.3093 -28.0844 269.158 PRESSAVG: 4266200 -34.4203 0.0464143 -12.167 0.046409 21.4695 -12.7758 -12.167 -12.7758 -2.41708 GPRESSAVG: 4266200 -33.7345 2.30716 -14.2311 0.63104 20.2647 -12.8632 -14.7496 -13.5185 -2.42685 TIMING: 4266200 CPU: 13326.4, 0.00310702/step Wall: 13326.4, 0.00310702/step, 0.633314 hours remaining, 234.464844 MB of memory in use. ENERGY: 4266200 4003.8699 20421.9192 14443.4893 248.8562 -203167.1138 2962.8985 0.0000 0.0000 51872.7468 -109213.3339 298.1134 -161086.0806 -108857.4466 298.8691 133.4277 162.7856 763601.7995 -5.1226 -5.2989 PRESSURE: 4266400 -171.227 -267.599 1.88487 -267.599 14.3324 168.816 1.88429 168.816 218.973 GPRESSURE: 4266400 -43.6202 -209.784 -98.8269 -223.526 31.5007 156.451 -20.4573 122.12 153.849 PRESSAVG: 4266400 -6.17591 -29.6361 -8.3654 -29.6361 24.6612 -17.4228 -8.36543 -17.4228 3.76356 GPRESSAVG: 4266400 -5.89755 -29.2489 -7.39092 -28.9946 25.1851 -17.0934 -8.14132 -16.6275 2.97874 TIMING: 4266400 CPU: 13327, 0.00310704/step Wall: 13327, 0.00310704/step, 0.633145 hours remaining, 234.464844 MB of memory in use. ENERGY: 4266400 4015.2377 20295.6836 14522.3672 253.8802 -202779.8916 2577.6961 0.0000 0.0000 51909.5438 -109205.4831 298.3249 -161115.0268 -108850.4800 298.3512 20.6929 47.2431 763313.4389 7.4163 7.4221 PRESSURE: 4266600 -164.283 -26.5418 -249.785 -26.5423 158.713 54.1063 -249.785 54.1056 184.758 GPRESSURE: 4266600 -59.1822 -82.5927 -238.722 -90.7202 154.324 122.391 -138.821 -105.093 156.433 PRESSAVG: 4266600 2.19836 -7.88222 -25.8305 -7.88221 -25.42 30.3293 -25.8305 30.3294 2.31439 GPRESSAVG: 4266600 2.28923 -10.3302 -26.0558 -9.05743 -25.4172 29.2311 -22.8129 31.5204 2.53498 TIMING: 4266600 CPU: 13327.6, 0.00310399/step Wall: 13327.6, 0.003104/step, 0.632353 hours remaining, 234.464844 MB of memory in use. ENERGY: 4266600 4022.5544 20368.3995 14483.7382 232.1111 -203162.8157 2701.1785 0.0000 0.0000 52073.2119 -109281.6220 299.2655 -161354.8340 -108927.3326 298.4386 59.7291 83.8584 764247.5340 -6.9691 -6.8643 PRESSURE: 4266800 -220.637 -292.162 -62.1016 -292.163 -300.379 215.915 -62.1016 215.915 162.062 GPRESSURE: 4266800 -225.57 -203.228 34.9654 -233.777 -350.437 229.271 -124.649 239.884 305.916 PRESSAVG: 4266800 -30.895 -16.2492 8.32461 -16.2492 29.8949 10.4401 8.32464 10.4402 -36.7442 GPRESSAVG: 4266800 -31.6629 -13.4393 9.24278 -15.0308 29.566 10.4273 6.70436 10.2183 -34.9251 TIMING: 4266800 CPU: 13328.2, 0.0031285/step Wall: 13328.2, 0.0031285/step, 0.637171 hours remaining, 234.464844 MB of memory in use. ENERGY: 4266800 3999.0394 20523.6877 14471.3393 253.4305 -203433.3473 2754.4734 0.0000 0.0000 51985.3764 -109446.0006 298.7607 -161431.3770 -109081.6113 298.2876 -119.6515 -90.0301 763175.6872 -12.5814 -12.3407 PRESSURE: 4267000 -217.305 -106.8 12.1856 -106.8 33.8698 -128.755 12.1862 -128.756 11.1673 GPRESSURE: 4267000 -192.057 -113.962 70.7259 -111.528 132.212 -157.589 33.8158 77.4206 -41.3041 PRESSAVG: 4267000 4.25795 3.2865 -3.84114 3.28654 10.239 2.66798 -3.84113 2.66806 11.3995 GPRESSAVG: 4267000 4.95086 2.1933 -2.28213 3.26275 10.1634 4.33145 -3.99042 1.0529 9.96599 TIMING: 4267000 CPU: 13328.9, 0.00314662/step Wall: 13328.9, 0.00314662/step, 0.640686 hours remaining, 234.464844 MB of memory in use. ENERGY: 4267000 4053.5141 20585.4148 14514.1073 248.2719 -203544.4949 2908.0729 0.0000 0.0000 51810.8612 -109424.2528 297.7577 -161235.1139 -109070.8094 298.3357 -57.4225 -33.7161 762283.8733 8.6322 8.3601 PRESSURE: 4267200 -299.504 75.045 98.9552 75.0443 -255.925 -69.8771 98.9555 -69.8768 -425.863 GPRESSURE: 4267200 -281.67 -58.7709 97.4861 76.3402 -163.716 -125.997 113.014 -19.7804 -433.472 PRESSAVG: 4267200 74.9618 -56.1328 46.5405 -56.1328 -34.845 2.96255 46.5405 2.96256 -14.1502 GPRESSAVG: 4267200 74.4187 -56.7062 44.981 -55.9706 -33.5729 2.94948 47.6429 3.26082 -14.3762 TIMING: 4267200 CPU: 13329.5, 0.00312247/step Wall: 13329.5, 0.00312247/step, 0.635597 hours remaining, 234.464844 MB of memory in use. ENERGY: 4267200 4010.9027 20491.3325 14461.1059 246.1577 -202800.0037 2497.3849 0.0000 0.0000 51631.4161 -109461.7039 296.7265 -161093.1200 -109106.5704 298.1421 -327.0973 -292.9529 764418.3020 8.6555 8.8232 PRESSURE: 4267400 -15.5541 -68.22 -85.0555 -68.2201 -97.7205 282.608 -85.0557 282.608 -295.333 GPRESSURE: 4267400 -26.9568 -82.2525 -129.384 -136.061 -73.7874 199.941 -90.9676 347.079 -228.567 PRESSAVG: 4267400 -88.8486 -44.6158 -4.78905 -44.6158 41.394 -25.397 -4.78909 -25.397 -26.6656 GPRESSAVG: 4267400 -87.7261 -42.7126 -4.46379 -45.3463 40.1738 -27.2192 -8.15667 -24.6207 -26.5698 TIMING: 4267400 CPU: 13330.1, 0.00312551/step Wall: 13330.1, 0.00312551/step, 0.636042 hours remaining, 234.464844 MB of memory in use. ENERGY: 4267400 4004.4615 20348.0589 14430.0891 247.7869 -202906.3987 2567.3310 0.0000 0.0000 52055.9404 -109252.7309 299.1662 -161308.6714 -108887.0787 298.4771 -136.2024 -109.7704 765542.7835 -24.7067 -24.7074 PRESSURE: 4267600 -291.179 95.7598 80.4877 95.7596 -353.729 -249.044 80.4863 -249.044 185.484 GPRESSURE: 4267600 -294.888 -59.5148 116.568 208.257 -279.611 -320.972 148.773 -262.737 198.837 PRESSAVG: 4267600 -3.44641 13.9089 12.5198 13.9089 -5.67935 -32.6659 12.5197 -32.6659 15.234 GPRESSAVG: 4267600 -3.83678 12.9896 13.53 15.1423 -5.33453 -32.6069 13.8941 -33.7071 15.4268 TIMING: 4267600 CPU: 13330.7, 0.00311299/step Wall: 13330.7, 0.00311299/step, 0.63332 hours remaining, 234.464844 MB of memory in use. ENERGY: 4267600 3972.6432 20595.6297 14550.2867 205.3491 -203025.6323 2632.4501 0.0000 0.0000 51927.1627 -109142.1108 298.4261 -161069.2735 -108786.8994 299.0967 -153.1413 -125.2205 763748.0462 2.0361 2.0851 PRESSURE: 4267800 -213.36 80.2377 -242.833 80.2373 -75.0303 131.021 -242.833 131.021 85.8852 GPRESSURE: 4267800 -183.845 104.981 -242.108 97.4904 -0.996668 62.1348 -347.711 183.011 82.5936 PRESSAVG: 4267800 -1.38658 10.2827 11.6744 10.2827 4.66495 -21.527 11.6744 -21.527 -1.59064 GPRESSAVG: 4267800 -1.4104 10.4014 9.09152 10.4615 5.07892 -20.5705 11.964 -20.4962 -1.61761 TIMING: 4267800 CPU: 13331.4, 0.00311401/step Wall: 13331.4, 0.00311401/step, 0.633356 hours remaining, 234.464844 MB of memory in use. ENERGY: 4267800 3904.5532 20323.2056 14474.4257 250.9169 -203168.4818 2729.0133 0.0000 0.0000 51974.2922 -109512.0751 298.6970 -161486.3672 -109149.1433 298.8076 -67.5018 -34.0826 764213.2542 0.5626 0.6836 PRESSURE: 4268000 144.692 23.5257 3.77464 23.525 136.326 -166.184 3.77418 -166.184 19.1823 GPRESSURE: 4268000 185.679 37.8616 -65.1385 15.5647 162.866 -74.8514 63.6499 -98.4814 29.736 PRESSAVG: 4268000 7.0751 -21.3086 -0.448701 -21.3086 -49.796 5.23471 -0.448726 5.23475 -4.9599 GPRESSAVG: 4268000 8.10481 -22.2222 0.696314 -21.9601 -50.6033 6.77817 0.373278 5.44535 -5.27825 TIMING: 4268000 CPU: 13332, 0.00311397/step Wall: 13332, 0.00311398/step, 0.633175 hours remaining, 234.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4268000 3972.4147 20590.5600 14383.5194 248.9682 -203068.0219 2545.2328 0.0000 0.0000 51965.1543 -109362.1724 298.6445 -161327.3267 -109003.3189 298.4078 100.0671 126.0937 763418.4605 -15.8936 -15.9256 PRESSURE: 4268200 -25.4437 -97.8889 118.626 -97.8891 -145.51 -50.6964 118.626 -50.6962 -260.928 GPRESSURE: 4268200 11.2053 -52.7729 75.6814 -164.358 -191.556 51.3961 192.145 -121.318 -167.76 PRESSAVG: 4268200 21.5177 -14.21 13.9817 -14.21 -22.8305 -69.6653 13.9817 -69.6653 4.03982 GPRESSAVG: 4268200 20.4873 -14.7335 13.3949 -12.9823 -21.3924 -70.6824 13.3801 -71.0814 4.17874 TIMING: 4268200 CPU: 13332.6, 0.00314986/step Wall: 13332.6, 0.00314986/step, 0.640297 hours remaining, 234.464844 MB of memory in use. ENERGY: 4268200 3937.2407 20603.8116 14504.6452 251.4315 -202909.5192 2396.4492 0.0000 0.0000 52066.0645 -109149.8764 299.2244 -161215.9409 -108786.8800 298.8680 -143.9605 -116.0371 765006.4475 0.9090 1.0912 LDB: ============= START OF LOAD BALANCING ============== 13345.1 LDB: ============== END OF LOAD BALANCING =============== 13345.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13345.1 LDB: ============= START OF LOAD BALANCING ============== 13345.4 LDB: Largest compute 7051 load 0.029274 is 15.0% of average load 0.195266 LDB: Average compute 0.004379 is 2.2% of average load 0.195266 LDB: TIME 13345.4 LOAD: AVG 0.195266 MAX 0.215843 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.289 MB LDB: TIME 13345.4 LOAD: AVG 0.195266 MAX 0.215843 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.496 MB LDB: TIME 13345.4 LOAD: AVG 0.195266 MAX 0.215843 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.496 MB LDB: ============== END OF LOAD BALANCING =============== 13345.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13345.4 PRESSURE: 4268400 120.464 -58.2996 -41.5102 -58.2994 197.888 28.9987 -41.5098 28.9982 -389.465 GPRESSURE: 4268400 85.6298 -84.0144 -44.7886 62.6288 209.853 34.8265 -78.2705 44.9904 -281.04 PRESSAVG: 4268400 -25.0932 4.36992 17.9113 4.36988 46.2732 -5.90417 17.9113 -5.90417 20.6344 GPRESSAVG: 4268400 -24.7855 7.75163 18.9739 1.17155 45.0867 -7.3047 18.0752 -5.91527 20.9716 TIMING: 4268400 CPU: 13333.3, 0.00319769/step Wall: 13333.3, 0.00319769/step, 0.649841 hours remaining, 234.191406 MB of memory in use. ENERGY: 4268400 4045.6356 20546.5494 14554.3989 243.9121 -202968.8943 2580.0567 0.0000 0.0000 51847.6979 -109150.6438 297.9694 -160998.3417 -108789.0483 299.5696 -23.7045 4.8141 764316.2967 13.9381 13.7576 PRESSURE: 4268600 -174.447 -60.0584 103.875 -60.0575 131.828 36.254 103.876 36.2538 181.776 GPRESSURE: 4268600 -210.547 -95.8057 165.458 -120.886 226.904 77.0234 30.5131 55.9038 225.362 PRESSAVG: 4268600 -70.126 35.6196 -37.9371 35.6196 15.2336 18.1564 -37.9372 18.1564 4.73273 GPRESSAVG: 4268600 -70.6472 31.8817 -37.9554 36.0929 15.6304 19.5669 -38.1473 17.2221 4.46253 TIMING: 4268600 CPU: 13333.9, 0.00312707/step Wall: 13333.9, 0.00312707/step, 0.635317 hours remaining, 234.390625 MB of memory in use. ENERGY: 4268600 4044.5787 20498.3702 14513.6620 243.7658 -203085.7301 2697.2836 0.0000 0.0000 52017.3527 -109070.7171 298.9444 -161088.0698 -108711.5634 299.0273 46.3858 80.5730 763747.0362 -16.7199 -16.8514 PRESSURE: 4268800 -85.3902 28.6302 33.6562 28.6307 -55.2469 -183.197 33.6556 -183.197 279.686 GPRESSURE: 4268800 68.7629 125.799 74.2566 139.626 -33.8136 -147.413 -111.244 -242.545 198.435 PRESSAVG: 4268800 -30.3091 -56.6695 -12.3823 -56.6696 41.7076 9.83318 -12.3823 9.83317 0.414146 GPRESSAVG: 4268800 -30.6232 -55.4025 -11.4648 -54.6694 42.3952 11.5609 -13.3189 10.5052 0.1495 TIMING: 4268800 CPU: 13334.5, 0.00312434/step Wall: 13334.5, 0.00312434/step, 0.634589 hours remaining, 234.390625 MB of memory in use. ENERGY: 4268800 3946.2909 20599.4696 14460.0744 215.6015 -202995.8878 2574.9087 0.0000 0.0000 52003.7588 -109195.7839 298.8663 -161199.5428 -108836.2726 299.3021 46.3498 77.7947 763378.5509 3.9375 3.9738 PRESSURE: 4269000 234.22 -288.01 -382.535 -288.011 -50.0913 -74.7275 -382.536 -74.7287 -114.47 GPRESSURE: 4269000 110.833 -304.949 -263.466 -169.354 -12.0511 -12.3748 -252.437 -200.329 48.8751 PRESSAVG: 4269000 -4.1146 4.97262 -2.00899 4.97266 13.1075 -45.5473 -2.0091 -45.5473 30.0314 GPRESSAVG: 4269000 -4.79493 4.79888 -3.98458 3.66666 13.5191 -43.9737 1.2218 -46.9535 29.7559 TIMING: 4269000 CPU: 13335.1, 0.00310966/step Wall: 13335.1, 0.00310966/step, 0.631434 hours remaining, 234.390625 MB of memory in use. ENERGY: 4269000 3949.0327 20746.6016 14437.7505 239.6611 -203319.0550 2914.3764 0.0000 0.0000 51809.0782 -109222.5544 297.7475 -161031.6327 -108869.9518 298.6906 23.2195 49.2191 762136.1948 13.0081 12.8267 PRESSURE: 4269200 -199.276 -85.4309 138.16 -85.4308 -40.155 129.193 138.16 129.194 -96.7001 GPRESSURE: 4269200 -45.1078 -27.3574 114.308 -215.669 -125.778 84.607 159.369 213.288 -90.3148 PRESSAVG: 4269200 -1.08757 -39.9502 -20.2485 -39.9502 17.863 3.51115 -20.2486 3.51115 9.25787 GPRESSAVG: 4269200 -0.128755 -41.1869 -17.9839 -40.4279 16.8764 0.73856 -22.4905 6.15706 9.4576 TIMING: 4269200 CPU: 13335.8, 0.00310192/step Wall: 13335.8, 0.00310192/step, 0.62969 hours remaining, 234.519531 MB of memory in use. ENERGY: 4269200 3905.7150 20687.8808 14448.2204 256.7519 -203086.0333 2573.1802 0.0000 0.0000 51800.0777 -109414.2073 297.6958 -161214.2850 -109052.9704 298.6993 -112.0437 -87.0670 765525.9122 8.6778 8.7351 PRESSURE: 4269400 -164.252 4.2539 -17.0774 4.25303 -129.792 182.615 -17.0776 182.615 -87.0704 GPRESSURE: 4269400 -115.468 31.185 45.8086 17.3334 -91.1355 99.834 -55.7268 98.8061 -102.217 PRESSAVG: 4269400 -16.807 20.5427 -9.80564 20.5428 24.0273 5.16416 -9.80561 5.16412 5.97116 GPRESSAVG: 4269400 -16.8688 24.0741 -12.0184 18.905 23.2357 5.00557 -9.53799 5.44284 6.17876 TIMING: 4269400 CPU: 13336.4, 0.00310939/step Wall: 13336.4, 0.00310939/step, 0.631032 hours remaining, 234.519531 MB of memory in use. ENERGY: 4269400 4077.5997 20402.7080 14389.0118 245.6847 -203236.2207 2772.1455 0.0000 0.0000 51802.5814 -109546.4897 297.7101 -161349.0711 -109191.3504 298.6736 -127.0384 -102.9403 764096.5505 4.3972 4.1819 PRESSURE: 4269600 -161.959 -60.165 -239.56 -60.1649 57.4176 57.8192 -239.56 57.8197 -231.734 GPRESSURE: 4269600 -187.774 31.4625 -241.496 -63.7116 120.362 114.464 -204.539 88.5377 -183.744 PRESSAVG: 4269600 -13.7161 10.1289 20.8942 10.1289 13.1973 -12.3306 20.8942 -12.3307 -10.0805 GPRESSAVG: 4269600 -13.7876 9.09556 22.6734 11.3076 13.4712 -12.0642 20.6278 -13.5279 -10.3222 TIMING: 4269600 CPU: 13337, 0.00312448/step Wall: 13337, 0.00312448/step, 0.633923 hours remaining, 234.722656 MB of memory in use. ENERGY: 4269600 3967.7666 20512.9507 14474.9858 248.0677 -203516.5899 2872.7963 0.0000 0.0000 51756.2692 -109683.7537 297.4440 -161440.0229 -109329.3585 298.2648 -112.0920 -83.7186 762306.3719 -3.5331 -3.5462 PRESSURE: 4269800 -138.814 -225.575 190.793 -225.575 27.0782 -129.219 190.792 -129.218 -15.1181 GPRESSURE: 4269800 -79.0911 -247.913 216.487 -157.616 46.1963 -90.6712 132.61 -82.7742 -0.700513 PRESSAVG: 4269800 74.1829 -7.93583 41.155 -7.93584 -54.8575 -25.1471 41.155 -25.1471 24.7662 GPRESSAVG: 4269800 74.0193 -8.76578 41.7256 -7.39036 -54.2897 -24.9713 38.6534 -25.1222 24.9637 TIMING: 4269800 CPU: 13337.6, 0.00311381/step Wall: 13337.6, 0.00311381/step, 0.631584 hours remaining, 234.722656 MB of memory in use. ENERGY: 4269800 3987.7962 20421.6038 14472.4837 237.0144 -203272.8214 2597.8782 0.0000 0.0000 52017.8910 -109538.1541 298.9475 -161556.0451 -109174.4312 298.0822 -42.2847 -11.1984 762945.1690 14.6972 14.8978 PRESSURE: 4270000 -157.578 -126.862 -207.633 -126.862 141.047 48.8796 -207.633 48.88 77.5782 GPRESSURE: 4270000 -175.674 -79.4332 -275.909 -21.3073 158.23 78.2248 -37.0999 -9.71781 158.068 PRESSAVG: 4270000 36.3679 -45.437 -27.2028 -45.437 -45.5564 -9.94 -27.2029 -9.94003 -21.6609 GPRESSAVG: 4270000 36.7395 -45.5752 -28.3819 -45.6206 -45.1044 -10.5531 -24.5733 -9.34649 -22.0912 TIMING: 4270000 CPU: 13338.2, 0.00310534/step Wall: 13338.2, 0.00310534/step, 0.629693 hours remaining, 234.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4270000 4052.6070 20658.0742 14386.0258 259.7646 -203305.1997 2673.8141 0.0000 0.0000 51903.5588 -109371.3552 298.2905 -161274.9141 -109013.1752 298.4317 20.3493 46.8747 762232.2821 -10.2831 -10.1520 PRESSURE: 4270200 201.06 104.998 175.17 104.998 92.6429 -213.241 175.17 -213.241 188.817 GPRESSURE: 4270200 298.67 135.594 124.195 61.1231 79.3476 -167.114 83.7789 -227.942 177.486 PRESSAVG: 4270200 -4.32522 -17.0862 47.9469 -17.0862 29.9078 -11.8049 47.9469 -11.8048 12.1018 GPRESSAVG: 4270200 -3.13913 -14.621 47.5851 -15.5098 28.4476 -11.4219 47.4302 -12.0588 12.8057 TIMING: 4270200 CPU: 13338.9, 0.00309885/step Wall: 13338.9, 0.00309885/step, 0.628206 hours remaining, 234.789062 MB of memory in use. ENERGY: 4270200 3953.1951 20517.1786 14452.4303 247.6037 -203436.2852 2958.0460 0.0000 0.0000 51871.6341 -109436.1974 298.1070 -161307.8315 -109062.6014 298.8210 160.8401 185.1679 761790.3974 12.5615 12.7047 PRESSURE: 4270400 -155.012 -180.778 -50.6351 -180.779 248.67 -48.4048 -50.6352 -48.4038 -243.722 GPRESSURE: 4270400 -187.088 -103.005 -6.68859 -189.404 302.304 -61.5393 -77.1199 -96.2959 -214.312 PRESSAVG: 4270400 -0.419508 -9.72972 -3.63994 -9.72973 -12.7447 -18.7617 -3.63995 -18.7618 2.86631 GPRESSAVG: 4270400 -1.96424 -12.2224 -2.67297 -9.21251 -12.0876 -18.6953 -4.61449 -18.4775 3.75178 TIMING: 4270400 CPU: 13339.5, 0.00310608/step Wall: 13339.5, 0.00310608/step, 0.629499 hours remaining, 234.789062 MB of memory in use. ENERGY: 4270400 4028.3184 20727.6666 14546.8983 244.5723 -202994.5077 2381.9170 0.0000 0.0000 51889.1470 -109175.9881 298.2076 -161065.1352 -108815.1562 299.1309 -50.0212 -33.0321 763677.9014 -3.4326 -3.4333 PRESSURE: 4270600 -21.1488 17.2635 -139.67 17.2632 -440.128 141.2 -139.67 141.201 -7.30913 GPRESSURE: 4270600 -12.5936 -24.1436 -136.289 16.4129 -351.378 130.838 -69.6925 -52.8731 -10.2483 PRESSAVG: 4270600 5.58969 -18.2031 -6.75981 -18.2031 14.6931 14.1675 -6.75978 14.1675 -5.706 GPRESSAVG: 4270600 5.28844 -18.2641 -7.18363 -19.4191 15.4462 14.6209 -6.17303 13.1321 -6.68853 TIMING: 4270600 CPU: 13340.1, 0.00311857/step Wall: 13340.1, 0.00311857/step, 0.631857 hours remaining, 234.789062 MB of memory in use. ENERGY: 4270600 3994.6432 20705.5832 14396.9130 239.1652 -203252.7965 2510.3642 0.0000 0.0000 52188.4486 -109217.6791 299.9277 -161406.1277 -108856.0221 299.4489 -156.1951 -124.7399 762256.9658 4.8589 4.6820 PRESSURE: 4270800 -192.753 11.5902 13.4484 11.59 -224.972 55.7526 13.4484 55.753 -213.157 GPRESSURE: 4270800 -93.48 -26.8985 13.3617 -70.6691 -206.996 118.385 -60.0573 101.324 -220.381 PRESSAVG: 4270800 -0.833401 15.4983 -8.6958 15.4983 -39.0736 7.71597 -8.69589 7.716 15.0701 GPRESSAVG: 4270800 0.185777 15.533 -11.0316 14.8639 -40.8457 7.74463 -8.9729 7.80809 15.4638 TIMING: 4270800 CPU: 13340.7, 0.00312855/step Wall: 13340.7, 0.00312855/step, 0.633704 hours remaining, 234.789062 MB of memory in use. ENERGY: 4270800 4034.2267 20561.9014 14500.2251 233.1422 -203576.7602 2832.3737 0.0000 0.0000 52154.9584 -109259.9327 299.7353 -161414.8912 -108890.8012 299.7079 -210.2937 -173.6188 763267.0340 -8.2790 -8.3987 PRESSURE: 4271000 234.844 113.501 98.5042 113.501 -187.424 -221.238 98.5033 -221.239 215.803 GPRESSURE: 4271000 211.172 31.3291 110.306 117.774 -72.832 -151.45 55.9752 -282.754 212.933 PRESSAVG: 4271000 -23.8599 -15.7689 29.8817 -15.7689 42.0701 -21.4925 29.8816 -21.4926 -14.0779 GPRESSAVG: 4271000 -24.1225 -16.3199 30.7863 -16.8647 42.8611 -23.0452 31.2754 -20.6129 -14.6875 TIMING: 4271000 CPU: 13341.4, 0.00313422/step Wall: 13341.4, 0.00313422/step, 0.634679 hours remaining, 234.789062 MB of memory in use. ENERGY: 4271000 3981.4299 20616.8233 14424.6782 242.9389 -203859.8147 3144.1892 0.0000 0.0000 52007.4943 -109442.2608 298.8878 -161449.7552 -109081.4077 299.5021 87.7409 117.0911 764319.5868 1.3774 1.3504 PRESSURE: 4271200 66.2482 17.5074 32.2295 17.5074 -16.0135 69.7472 32.2295 69.7467 287.775 GPRESSURE: 4271200 139.295 212.832 40.5941 75.9094 42.2034 183.804 -52.6239 -1.44541 243.185 PRESSAVG: 4271200 6.16993 -7.19429 6.77725 -7.19428 47.0926 -9.46931 6.77727 -9.46933 -7.99707 GPRESSAVG: 4271200 6.25237 -5.51777 6.24612 -7.03792 46.8118 -8.29339 4.95449 -8.14732 -7.50377 TIMING: 4271200 CPU: 13342, 0.00309597/step Wall: 13342, 0.00309597/step, 0.626761 hours remaining, 234.789062 MB of memory in use. ENERGY: 4271200 3956.8234 20497.1933 14487.0093 239.3341 -203643.8098 2765.0682 0.0000 0.0000 52200.7139 -109497.6675 299.9982 -161698.3814 -109130.4459 299.2787 112.6699 141.5610 761242.5305 15.0885 15.1868 PRESSURE: 4271400 185.975 10.3554 -140.302 10.3548 -180.017 181.983 -140.303 181.984 164.846 GPRESSURE: 4271400 148.927 25.4059 -76.0715 11.1571 -75.6475 214.446 -222.349 196.962 187.557 PRESSAVG: 4271400 -38.1194 -47.7974 5.0955 -47.7973 65.5156 -26.6865 5.0955 -26.6865 -11.5269 GPRESSAVG: 4271400 -38.4633 -50.2572 5.92242 -44.3708 65.4784 -29.15 6.58445 -26.5309 -11.18 TIMING: 4271400 CPU: 13342.6, 0.00312481/step Wall: 13342.6, 0.00312481/step, 0.632427 hours remaining, 234.789062 MB of memory in use. ENERGY: 4271400 4019.7026 20432.4364 14490.3019 248.5524 -203543.4812 3028.0967 0.0000 0.0000 51978.1494 -109346.2419 298.7191 -161324.3912 -108973.9014 299.2699 56.9347 86.9455 763351.4590 5.2898 5.2784 PRESSURE: 4271600 136.674 -353.026 13.8869 -353.027 304.699 3.75182 13.8865 3.75157 -141.203 GPRESSURE: 4271600 178.383 -324.698 49.6573 -351.57 356.828 -96.2011 100.471 37.2569 -128.237 PRESSAVG: 4271600 -32.1087 18.6166 -52.4217 18.6166 22.191 -36.9435 -52.4217 -36.9434 -11.1728 GPRESSAVG: 4271600 -32.1417 21.6913 -52.0366 16.5281 21.8522 -34.8124 -52.5582 -38.043 -9.97138 TIMING: 4271600 CPU: 13343.2, 0.00312286/step Wall: 13343.2, 0.00312286/step, 0.631859 hours remaining, 234.789062 MB of memory in use. ENERGY: 4271600 4007.4430 20641.9571 14474.2042 241.4428 -203621.4325 2924.3523 0.0000 0.0000 52160.6462 -109171.3868 299.7680 -161332.0330 -108806.9158 299.1207 100.0568 135.6576 762742.2084 -7.0301 -6.7536 PRESSURE: 4271800 -271.386 -120.843 -25.3568 -120.842 303.315 -102.779 -25.3568 -102.779 -99.5082 GPRESSURE: 4271800 -295.021 -89.3267 -51.8985 -97.7497 291.004 -49.829 37.6324 5.24273 22.9412 PRESSAVG: 4271800 -13.2497 -6.64432 -55.0723 -6.64439 45.0296 -36.9634 -55.0723 -36.9634 -2.63899 GPRESSAVG: 4271800 -13.9568 -8.09113 -53.4201 -6.80927 45.6182 -36.3415 -55.998 -36.1753 -2.90221 TIMING: 4271800 CPU: 13343.9, 0.00312471/step Wall: 13343.9, 0.00312471/step, 0.632059 hours remaining, 234.789062 MB of memory in use. ENERGY: 4271800 4001.6656 20720.3715 14525.5415 246.4000 -202947.3185 2442.5018 0.0000 0.0000 51942.8035 -109068.0348 298.5160 -161010.8382 -108701.4630 299.7914 -22.5263 6.3081 763101.3306 9.7136 9.5864 PRESSURE: 4272000 218.36 48.54 -24.7026 48.54 -78.0484 -27.4348 -24.7026 -27.4355 30.6866 GPRESSURE: 4272000 227.781 -69.3867 -163.257 -24.0146 -39.8395 36.854 140.255 -53.0278 54.7235 PRESSAVG: 4272000 -31.2653 8.74763 -84.267 8.74766 34.8671 -46.826 -84.267 -46.8259 16.7442 GPRESSAVG: 4272000 -30.1485 7.24987 -86.5078 9.48818 33.0919 -47.6457 -83.5223 -45.5023 17.1001 TIMING: 4272000 CPU: 13344.5, 0.00311531/step Wall: 13344.5, 0.00311531/step, 0.629985 hours remaining, 234.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4272000 3982.1304 20683.9886 14447.6078 251.6314 -203659.7060 3008.1402 0.0000 0.0000 51862.8685 -109423.3390 298.0566 -161286.2075 -109063.7919 299.5384 56.9995 80.8884 763407.4491 6.7820 6.6812 PRESSURE: 4272200 134.251 -77.3427 -96.0462 -77.3425 181.229 -94.7283 -96.0463 -94.7279 -127.828 GPRESSURE: 4272200 142.584 21.0457 -165.453 8.90898 192.507 19.9855 -1.95898 -61.478 -38.3769 PRESSAVG: 4272200 -115.421 -44.422 -19.3614 -44.4221 79.4967 -39.5587 -19.3615 -39.5587 32.7567 GPRESSAVG: 4272200 -117.31 -42.9013 -20.3396 -46.082 80.9573 -40.3045 -19.7919 -39.9385 33.3771 TIMING: 4272200 CPU: 13345.1, 0.00310051/step Wall: 13345.1, 0.00310051/step, 0.626819 hours remaining, 234.789062 MB of memory in use. ENERGY: 4272200 3997.5995 20474.0492 14417.2879 231.0909 -203537.9011 2897.7262 0.0000 0.0000 51773.8353 -109746.3120 297.5449 -161520.1473 -109374.2098 298.5313 62.5508 98.9047 762156.6353 -1.0559 -0.9920 LDB: ============= START OF LOAD BALANCING ============== 13357.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13357.6 LDB: =============== DONE WITH MIGRATION ================ 13357.6 LDB: ============= START OF LOAD BALANCING ============== 13357.9 LDB: Largest compute 7037 load 0.030099 is 15.4% of average load 0.195267 LDB: Average compute 0.004391 is 2.2% of average load 0.195267 LDB: TIME 13357.9 LOAD: AVG 0.195267 MAX 0.215191 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.52 MB LDB: TIME 13357.9 LOAD: AVG 0.195267 MAX 0.215191 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.543 MB LDB: TIME 13357.9 LOAD: AVG 0.195267 MAX 0.215191 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.543 MB LDB: ============== END OF LOAD BALANCING =============== 13357.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13357.9 PRESSURE: 4272400 148.161 -45.6596 -162.156 -45.6601 -151.119 -92.4828 -162.156 -92.4832 -179.975 GPRESSURE: 4272400 192.617 28.4505 -233.583 -97.3875 -206.794 -83.2229 -190.076 -97.4679 -87.1954 PRESSAVG: 4272400 1.54794 -32.7073 -2.60853 -32.7073 9.49007 -36.5269 -2.60857 -36.5269 4.60569 GPRESSAVG: 4272400 3.38129 -31.1901 -0.462888 -32.3776 9.3781 -35.9724 -2.32546 -37.3827 2.94485 TIMING: 4272400 CPU: 13345.7, 0.00319025/step Wall: 13345.7, 0.00319025/step, 0.644785 hours remaining, 234.519531 MB of memory in use. ENERGY: 4272400 3982.8372 20517.8383 14453.4164 254.5875 -203960.9008 3239.0102 0.0000 0.0000 51880.1298 -109633.0813 298.1558 -161513.2111 -109272.2199 298.3904 -60.9775 -33.7906 763004.7533 5.2146 5.2347 PRESSURE: 4272600 206.921 -137.583 96.1593 -137.583 35.0981 -208.627 96.1591 -208.627 46.0331 GPRESSURE: 4272600 173.456 -191.19 150.475 -109.433 139.412 -186.697 139.93 -174.039 72.4738 PRESSAVG: 4272600 53.6928 6.9288 -38.304 6.92885 -43.6783 -8.35043 -38.3041 -8.35041 12.7769 GPRESSAVG: 4272600 53.4168 3.88164 -40.2143 5.6268 -43.1514 -8.35871 -36.987 -8.0636 12.7224 TIMING: 4272600 CPU: 13346.4, 0.00310524/step Wall: 13346.4, 0.00310524/step, 0.627431 hours remaining, 234.589844 MB of memory in use. ENERGY: 4272600 3987.0529 20332.1597 14439.0258 248.2585 -203673.4198 2944.7851 0.0000 0.0000 51950.9367 -109771.2010 298.5627 -161722.1377 -109406.6219 298.4266 96.0173 128.4473 763263.9761 7.5972 7.6626 PRESSURE: 4272800 -246.625 328.402 40.942 328.402 84.1377 11.1013 40.9416 11.1025 155.454 GPRESSURE: 4272800 -173.829 346.448 1.63288 289.682 86.7016 33.3336 44.9989 -81.2789 157.861 PRESSAVG: 4272800 18.4549 -44.5027 59.6531 -44.5027 -10.6224 -39.8906 59.6531 -39.8905 15.7473 GPRESSAVG: 4272800 19.0576 -42.0695 63.0711 -43.5144 -11.2212 -40.0911 58.3458 -40.3501 15.7252 TIMING: 4272800 CPU: 13347, 0.00312117/step Wall: 13347, 0.00312117/step, 0.630476 hours remaining, 234.589844 MB of memory in use. ENERGY: 4272800 3998.5689 20456.5310 14449.9007 253.9515 -203746.5644 3028.9326 0.0000 0.0000 51789.0260 -109769.6536 297.6322 -161558.6796 -109407.2975 297.7736 -2.3446 23.5777 763106.3244 7.8600 7.8538 PRESSURE: 4273000 -404.015 61.7853 9.44031 61.7854 -250.851 -151.201 9.44082 -151.201 -361.612 GPRESSURE: 4273000 -360.968 -16.1402 68.3727 -12.2246 -230.511 -280.074 171.063 -30.5107 -350.708 PRESSAVG: 4273000 25.9799 -3.58309 13.5141 -3.58306 -25.1925 -5.6369 13.5141 -5.63691 -5.59919 GPRESSAVG: 4273000 26.3753 -4.43155 10.6761 -2.57778 -25.33 -3.915 14.156 -7.27705 -5.78409 TIMING: 4273000 CPU: 13347.6, 0.00312918/step Wall: 13347.6, 0.00312918/step, 0.63192 hours remaining, 234.589844 MB of memory in use. ENERGY: 4273000 4005.9116 20312.6971 14454.0217 245.1141 -203076.7714 2682.7930 0.0000 0.0000 51828.4908 -109547.7431 297.8590 -161376.2339 -109188.1181 298.2344 -338.8260 -314.0627 763862.8435 -1.6039 -1.5796 PRESSURE: 4273200 101.248 -86.8535 -60.1106 -86.8537 47.7932 97.8266 -60.1113 97.8279 -203.749 GPRESSURE: 4273200 6.58407 -118.268 -91.1552 -106.096 177.054 33.9913 -131.849 127.177 -176.587 PRESSAVG: 4273200 21.1428 -12.2624 -30.0228 -12.2624 -3.38457 -9.97635 -30.0228 -9.97636 -10.0701 GPRESSAVG: 4273200 19.5526 -12.62 -27.4533 -13.3309 -2.46179 -11.3972 -31.7146 -6.67057 -10.0186 TIMING: 4273200 CPU: 13348.2, 0.00312245/step Wall: 13348.2, 0.00312245/step, 0.630387 hours remaining, 234.589844 MB of memory in use. ENERGY: 4273200 3915.5035 20512.2909 14463.9413 216.3155 -203146.2117 2552.8125 0.0000 0.0000 51821.3642 -109663.9838 297.8181 -161485.3480 -109302.2109 298.4177 -18.2359 2.3505 763210.5342 2.5627 2.3574 PRESSURE: 4273400 139.915 -68.4746 -182.759 -68.4732 85.035 89.9266 -182.76 89.9259 -29.5091 GPRESSURE: 4273400 102.666 -3.00675 -186.038 -64.9976 99.2103 174.947 -65.258 41.145 63.4181 PRESSAVG: 4273400 -4.74161 -13.7147 18.9877 -13.7146 56.41 29.3706 18.9877 29.3706 9.71473 GPRESSAVG: 4273400 -4.2822 -14.0511 16.7556 -12.3685 55.5981 29.8437 18.0249 29.9624 9.72533 TIMING: 4273400 CPU: 13348.9, 0.00312545/step Wall: 13348.9, 0.00312545/step, 0.630821 hours remaining, 234.589844 MB of memory in use. ENERGY: 4273400 4027.1650 20479.1700 14439.9475 240.8303 -203500.4168 2844.7310 0.0000 0.0000 52028.6508 -109439.9220 299.0094 -161468.5729 -109076.2319 298.5399 65.1469 88.4314 759985.3347 20.4610 20.3471 PRESSURE: 4273600 170.451 -42.405 93.5044 -42.4055 -437.951 -21.5641 93.504 -21.5644 -16.6144 GPRESSURE: 4273600 99.6903 -77.3203 97.1544 -33.8018 -319.423 -47.6118 55.5549 -3.05516 27.5162 PRESSAVG: 4273600 -28.2812 -22.113 -28.9648 -22.1129 25.7507 -22.2734 -28.9647 -22.2734 8.98165 GPRESSAVG: 4273600 -28.2128 -21.123 -28.3896 -22.6302 25.4671 -23.2385 -26.5386 -23.9984 9.23176 TIMING: 4273600 CPU: 13349.5, 0.00311704/step Wall: 13349.5, 0.00311703/step, 0.628948 hours remaining, 234.589844 MB of memory in use. ENERGY: 4273600 3962.8805 20508.5528 14481.6813 246.3776 -203507.6975 2737.6727 0.0000 0.0000 52073.3439 -109497.1887 299.2662 -161570.5326 -109145.2894 298.7869 -94.7045 -64.0723 761455.1281 2.1504 2.1620 PRESSURE: 4273800 -108.551 -26.7125 -45.3471 -26.7126 201.118 175.474 -45.3479 175.474 -105.748 GPRESSURE: 4273800 -1.50054 -11.5672 -48.8844 -67.6448 128.871 129.687 8.30453 238.327 -56.6222 PRESSAVG: 4273800 -41.9241 -70.3076 -33.4334 -70.3075 45.4327 17.3573 -33.4335 17.3572 -30.2163 GPRESSAVG: 4273800 -42.9392 -69.6354 -34.0841 -72.1874 45.1918 18.29 -33.5774 16.5117 -29.1074 TIMING: 4273800 CPU: 13350.1, 0.00312461/step Wall: 13350.1, 0.00312461/step, 0.630304 hours remaining, 234.589844 MB of memory in use. ENERGY: 4273800 3967.7326 20410.7866 14420.3453 267.3320 -203382.2086 2566.7190 0.0000 0.0000 52175.9133 -109573.3798 299.8557 -161749.2931 -109206.1194 299.3883 -4.3936 23.5829 761795.0852 -8.9026 -8.9516 PRESSURE: 4274000 124.58 57.641 -163.636 57.6398 126.475 -166.907 -163.636 -166.907 -41.661 GPRESSURE: 4274000 133.761 -4.47008 -155.414 70.3705 228.906 -129.173 -169.983 -43.2913 -84.7509 PRESSAVG: 4274000 -11.1548 -54.8107 11.6537 -54.8106 44.6346 -5.21519 11.6537 -5.2152 5.29731 GPRESSAVG: 4274000 -10.0772 -56.5553 11.4217 -52.75 45.3075 -4.4254 11.102 -5.90678 3.92122 TIMING: 4274000 CPU: 13350.7, 0.00310134/step Wall: 13350.7, 0.00310134/step, 0.625437 hours remaining, 234.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4274000 3955.0774 20577.9793 14376.5722 253.0215 -203408.2032 2669.0375 0.0000 0.0000 51907.8531 -109668.6623 298.3151 -161576.5154 -109301.5346 298.7185 69.7979 92.6385 761648.1206 12.9257 13.0505 PRESSURE: 4274200 160.879 126.529 26.3605 126.529 215.129 -148.247 26.3603 -148.247 327.744 GPRESSURE: 4274200 175.828 211.011 -51.9936 49.1194 245.159 -219.771 60.3969 -65.0017 345.872 PRESSAVG: 4274200 -64.9004 -21.2538 -18.0389 -21.2539 13.9399 13.6037 -18.0389 13.6037 1.99709 GPRESSAVG: 4274200 -64.5413 -18.6699 -17.924 -21.9609 12.0146 12.2667 -16.1365 15.3404 3.06502 TIMING: 4274200 CPU: 13351.3, 0.00310257/step Wall: 13351.3, 0.00310257/step, 0.625513 hours remaining, 234.589844 MB of memory in use. ENERGY: 4274200 3990.6111 20553.9281 14462.3428 218.4297 -203463.0549 2724.2062 0.0000 0.0000 51975.0209 -109538.5161 298.7012 -161513.5370 -109183.6498 298.3561 234.5838 255.6198 762812.3824 -16.3211 -16.4872 PRESSURE: 4274400 45.0253 -42.8826 83.0529 -42.8824 361.411 39.1336 83.0526 39.1341 -315.53 GPRESSURE: 4274400 75.3161 -23.4555 40.2934 -15.7378 358.465 -41.7975 27.7161 -83.5311 -281.942 PRESSAVG: 4274400 -32.2497 -36.975 -27.5403 -36.975 59.6801 -32.7563 -27.5404 -32.7564 1.59339 GPRESSAVG: 4274400 -33.0257 -40.5101 -25.926 -35.3944 59.5086 -32.2035 -31.7859 -33.5068 2.06668 TIMING: 4274400 CPU: 13352, 0.00309292/step Wall: 13352, 0.00309292/step, 0.623396 hours remaining, 234.589844 MB of memory in use. ENERGY: 4274400 3981.8801 20733.8428 14440.1116 235.9082 -203495.1838 2873.6751 0.0000 0.0000 51746.2683 -109483.4977 297.3865 -161229.7660 -109127.2510 298.8469 30.3023 50.6132 763051.0812 9.6746 9.5165 PRESSURE: 4274600 179.4 280.388 -3.3018 280.387 25.4612 60.631 -3.30204 60.6309 142.822 GPRESSURE: 4274600 314.734 130.887 29.1877 201.484 37.5983 37.815 -34.6041 118.381 74.3277 PRESSAVG: 4274600 -0.609622 -8.86571 8.85583 -8.86566 41.9325 16.0102 8.85588 16.0102 -5.18926 GPRESSAVG: 4274600 -0.822324 -9.21981 6.3292 -9.56454 44.1362 16.5205 11.386 14.7744 -7.44541 TIMING: 4274600 CPU: 13352.6, 0.0031155/step Wall: 13352.6, 0.0031155/step, 0.627772 hours remaining, 234.589844 MB of memory in use. ENERGY: 4274600 3956.0730 20507.5386 14444.3388 251.0165 -203027.5773 2566.3646 0.0000 0.0000 51999.1046 -109303.1413 298.8396 -161302.2459 -108945.3852 299.0481 115.8946 142.2200 763570.2805 12.0445 11.9561 PRESSURE: 4274800 -393.663 155.696 -40.8938 155.696 271.9 -48.1076 -40.8944 -48.107 137.711 GPRESSURE: 4274800 -329.102 207.382 -45.8006 58.2846 226.059 11.0297 69.6022 -12.3941 178.135 PRESSAVG: 4274800 -41.3437 -64.1924 -42.6361 -64.1924 61.5588 23.2792 -42.6361 23.2792 9.07488 GPRESSAVG: 4274800 -41.8386 -62.0104 -40.4446 -64.5669 61.6851 23.8647 -42.8293 24.3366 9.60725 TIMING: 4274800 CPU: 13353.2, 0.00313902/step Wall: 13353.2, 0.00313902/step, 0.632338 hours remaining, 234.589844 MB of memory in use. ENERGY: 4274800 3951.7098 20502.4394 14488.9071 260.0108 -203632.2260 2796.5276 0.0000 0.0000 52231.8543 -109400.7771 300.1772 -161632.6314 -109033.0073 299.2527 5.3160 25.0310 761939.8638 9.7634 9.8179 PRESSURE: 4275000 51.2981 9.72885 -213.861 9.72895 -208.597 221.885 -213.862 221.886 -231.372 GPRESSURE: 4275000 78.6147 -92.0267 -128.903 8.21055 -169.343 183.435 -364.807 213.818 -216.004 PRESSAVG: 4275000 -43.1838 -29.2024 3.84235 -29.2024 84.6133 8.7319 3.84224 8.73201 -3.46042 GPRESSAVG: 4275000 -42.7905 -29.9904 2.41133 -28.9935 83.073 6.66353 3.47755 10.7041 -2.55288 TIMING: 4275000 CPU: 13353.8, 0.00313842/step Wall: 13353.8, 0.00313842/step, 0.632042 hours remaining, 234.589844 MB of memory in use. ENERGY: 4275000 3960.8383 20610.7122 14377.2695 242.3771 -203285.6903 2561.8563 0.0000 0.0000 52106.6607 -109425.9762 299.4577 -161532.6369 -109060.9027 299.2392 -129.5571 -102.2441 764031.7431 12.6564 12.5765 PRESSURE: 4275200 -270.415 84.475 -205.095 84.4752 -27.2603 -83.8036 -205.095 -83.8031 -62.7776 GPRESSURE: 4275200 -209.275 146.657 -263.057 -16.0616 -19.6162 -133.077 -169.315 -3.43357 -45.6159 PRESSAVG: 4275200 -23.5784 12.2024 -50.8368 12.2024 44.9828 -31.7747 -50.8368 -31.7747 -4.30667 GPRESSAVG: 4275200 -23.5254 12.9637 -50.9479 9.67763 45.4277 -32.1912 -50.7278 -32.5238 -4.60582 TIMING: 4275200 CPU: 13354.5, 0.00313928/step Wall: 13354.5, 0.00313928/step, 0.632043 hours remaining, 234.589844 MB of memory in use. ENERGY: 4275200 4026.6840 20519.6056 14480.2109 264.7532 -203583.8377 2709.2910 0.0000 0.0000 52191.9276 -109391.3655 299.9477 -161583.2930 -109023.7575 299.1555 -120.1511 -91.5023 763162.8580 5.6992 5.7655 PRESSURE: 4275400 -137.731 124.395 -26.1208 124.395 -129.854 33.626 -26.1204 33.6248 154.903 GPRESSURE: 4275400 -73.91 159.579 -42.3903 78.3139 -155.537 -62.7195 -15.267 108.623 197.657 PRESSAVG: 4275400 -40.3787 -34.9821 43.3946 -34.9822 66.9418 -92.7807 43.3946 -92.7806 -29.7098 GPRESSAVG: 4275400 -40.1506 -36.8724 41.7947 -33.2803 66.9428 -90.7977 43.3198 -95.0649 -29.9081 TIMING: 4275400 CPU: 13355.1, 0.00314715/step Wall: 13355.1, 0.00314715/step, 0.633451 hours remaining, 234.589844 MB of memory in use. ENERGY: 4275400 4016.0784 20552.0485 14530.1007 263.3144 -203317.0473 2767.8286 0.0000 0.0000 51877.9012 -109309.7754 298.1430 -161187.6766 -108944.5792 298.9217 -37.5605 -10.5967 764941.6986 -1.0489 -1.0386 PRESSURE: 4275600 -136.73 -27.4364 -4.44684 -27.437 -43.5094 -184.065 -4.44647 -184.065 200.061 GPRESSURE: 4275600 -110.848 -2.97347 104.636 20.6224 -12.8346 -204.117 -14.5859 -33.9664 208.954 PRESSAVG: 4275600 -1.67157 -20.8082 -3.19494 -20.8082 29.2785 -12.8624 -3.19496 -12.8624 1.63974 GPRESSAVG: 4275600 -2.06914 -20.1536 0.169128 -19.4897 29.834 -14.2867 -3.88229 -11.2687 1.5291 TIMING: 4275600 CPU: 13355.7, 0.0031202/step Wall: 13355.7, 0.0031202/step, 0.627854 hours remaining, 234.589844 MB of memory in use. ENERGY: 4275600 4009.8122 20697.6953 14508.8397 233.6806 -203601.7717 2969.9827 0.0000 0.0000 51927.2522 -109254.5091 298.4266 -161181.7613 -108890.7377 298.6568 6.6071 28.4238 763271.8992 9.7489 9.7646 PRESSURE: 4275800 -22.8429 -111.053 -14.0515 -111.052 344.253 -79.6286 -14.0514 -79.6291 -13.497 GPRESSURE: 4275800 14.3957 -148.169 -3.11736 -82.9843 351.804 -17.5054 -41.8162 -58.3828 33.1893 PRESSAVG: 4275800 -10.7576 1.91414 22.9632 1.91412 50.2939 -42.5412 22.9632 -42.5412 10.3206 GPRESSAVG: 4275800 -9.98841 2.22388 20.6184 1.19065 49.8074 -41.1002 24.3858 -42.2635 10.0227 TIMING: 4275800 CPU: 13356.3, 0.00311021/step Wall: 13356.3, 0.00311021/step, 0.625671 hours remaining, 234.589844 MB of memory in use. ENERGY: 4275800 3977.5635 20591.8175 14439.5460 235.6665 -203196.6313 2775.6850 0.0000 0.0000 51963.9882 -109212.3646 298.6378 -161176.3528 -108847.4089 299.1998 102.6377 133.1298 762904.9014 16.6190 16.6139 PRESSURE: 4276000 -271.509 -298.159 221.14 -298.159 -58.9333 50.5196 221.14 50.5198 94.8885 GPRESSURE: 4276000 -142.13 -157.212 271.307 -314.448 -14.9729 72.8691 162.117 11.8648 14.0398 PRESSAVG: 4276000 17.1848 -26.4917 -4.8537 -26.4917 -3.15222 0.485855 -4.8537 0.485872 14.0785 GPRESSAVG: 4276000 17.2188 -25.4533 -4.1797 -26.0858 -3.50588 1.4052 -6.98561 -1.52271 15.0028 TIMING: 4276000 CPU: 13357, 0.00311445/step Wall: 13357, 0.00311445/step, 0.62635 hours remaining, 234.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4276000 3997.8255 20446.9226 14447.8006 248.2753 -203159.4070 2748.8439 0.0000 0.0000 52043.1445 -109226.5947 299.0927 -161269.7391 -108865.7507 299.3586 -78.5180 -47.6878 763629.6325 9.3704 9.5719 PRESSURE: 4276200 -197.83 -77.714 12.0982 -77.714 -101.94 24.9296 12.0987 24.9287 9.46134 GPRESSURE: 4276200 -245.359 -76.8217 -60.4007 -81.9595 6.06683 19.2095 99.6069 174.695 33.2363 PRESSAVG: 4276200 -47.499 -58.6675 -2.23879 -58.6675 23.7756 13.6705 -2.23879 13.6706 52.8138 GPRESSAVG: 4276200 -46.7477 -58.1816 -3.3957 -60.9878 23.9848 12.5153 -0.117657 13.9703 51.3919 TIMING: 4276200 CPU: 13357.6, 0.00310871/step Wall: 13357.6, 0.00310871/step, 0.625024 hours remaining, 234.589844 MB of memory in use. ENERGY: 4276200 3957.1919 20377.9326 14402.5648 241.4395 -203311.5767 2822.6179 0.0000 0.0000 52260.0420 -109249.7880 300.3392 -161509.8299 -108876.4361 299.0883 -96.7694 -68.6853 764062.9052 9.6968 9.5430 LDB: ============= START OF LOAD BALANCING ============== 13370.1 LDB: ============== END OF LOAD BALANCING =============== 13370.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13370.1 LDB: ============= START OF LOAD BALANCING ============== 13370.4 LDB: Largest compute 7037 load 0.030852 is 15.8% of average load 0.195262 LDB: Average compute 0.004390 is 2.2% of average load 0.195262 LDB: TIME 13370.4 LOAD: AVG 0.195262 MAX 0.216928 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.414 MB LDB: TIME 13370.4 LOAD: AVG 0.195262 MAX 0.216928 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.508 MB LDB: TIME 13370.4 LOAD: AVG 0.195262 MAX 0.216928 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.508 MB LDB: ============== END OF LOAD BALANCING =============== 13370.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13370.4 PRESSURE: 4276400 73.6891 172.272 -158.772 172.272 -103.102 33.3387 -158.771 33.3395 181.765 GPRESSURE: 4276400 -30.8461 72.6393 -153.611 118.179 99.303 122.029 -220.505 135.538 175.901 PRESSAVG: 4276400 -10.973 -29.2858 -35.7555 -29.2858 -20.0962 10.9654 -35.7554 10.9654 -13.6072 GPRESSAVG: 4276400 -12.7372 -30.8663 -34.2722 -27.6364 -20.1998 11.999 -36.9502 12.0527 -12.3363 TIMING: 4276400 CPU: 13358.2, 0.00317226/step Wall: 13358.2, 0.00317226/step, 0.637624 hours remaining, 234.062500 MB of memory in use. ENERGY: 4276400 3919.4224 20531.2018 14473.0665 242.5192 -202946.7517 2527.6435 0.0000 0.0000 52084.7245 -109168.1739 299.3316 -161252.8984 -108807.7238 299.3136 50.7842 81.4528 763823.6268 -14.8922 -15.0911 PRESSURE: 4276600 -197.216 -146.932 -87.4049 -146.931 -70.9399 63.6792 -87.404 63.6794 -102.32 GPRESSURE: 4276600 -69.7426 -132.583 -121.3 -41.7559 -81.6964 166.152 -58.3302 24.7521 -147.386 PRESSAVG: 4276600 -86.8905 -55.0077 -27.3506 -55.0077 44.5709 14.0134 -27.3506 14.0135 1.13092 GPRESSAVG: 4276600 -86.6812 -55.4152 -26.7672 -53.3562 43.4914 13.5394 -27.2912 11.6168 1.84358 TIMING: 4276600 CPU: 13358.8, 0.00309961/step Wall: 13358.8, 0.00309961/step, 0.622849 hours remaining, 234.320312 MB of memory in use. ENERGY: 4276600 3973.1723 20524.7658 14424.1771 221.5744 -202910.1715 2585.8373 0.0000 0.0000 52055.9758 -109124.6688 299.1664 -161180.6446 -108764.1805 299.3228 -123.4920 -99.6084 763017.7742 -13.7295 -13.7820 PRESSURE: 4276800 -318.938 21.7464 -110.433 21.7468 90.017 -49.1359 -110.432 -49.1363 8.91742 GPRESSURE: 4276800 -241.211 44.2744 -106.732 50.467 152.37 12.6095 -25.1671 -46.7179 -48.9444 PRESSAVG: 4276800 -30.5438 -33.1076 -18.7912 -33.1076 56.6096 34.1428 -18.7912 34.1427 22.3438 GPRESSAVG: 4276800 -30.1996 -32.162 -20.0625 -33.7058 57.1659 34.4292 -18.1109 35.967 21.2231 TIMING: 4276800 CPU: 13359.5, 0.00312245/step Wall: 13359.5, 0.00312245/step, 0.627266 hours remaining, 234.320312 MB of memory in use. ENERGY: 4276800 3842.4984 20499.1653 14512.6172 245.9992 -203107.2299 2703.7426 0.0000 0.0000 52080.0395 -109223.1677 299.3047 -161303.2072 -108861.3594 299.0236 -73.3344 -45.9283 761898.9523 16.1365 16.0631 PRESSURE: 4277000 89.0647 -200.752 -154.703 -200.752 215.008 -35.752 -154.703 -35.7521 454.532 GPRESSURE: 4277000 138.275 -263.259 -140.617 -174.211 231.868 -44.3149 -214.882 6.92954 478.99 PRESSAVG: 4277000 -29.1625 -32.9629 -17.9914 -32.9628 27.2437 48.3384 -17.9914 48.3385 -10.8546 GPRESSAVG: 4277000 -28.0367 -33.0416 -17.4277 -32.5207 26.4895 46.9835 -18.455 48.2571 -10.9773 TIMING: 4277000 CPU: 13360.1, 0.0031209/step Wall: 13360.1, 0.0031209/step, 0.62678 hours remaining, 234.320312 MB of memory in use. ENERGY: 4277000 3913.4371 20627.8010 14350.9436 257.9789 -203463.2667 2958.2174 0.0000 0.0000 52431.6700 -108923.2187 301.3255 -161354.8887 -108554.1040 299.8007 252.8685 283.0446 763516.7431 -4.2578 -4.1748 PRESSURE: 4277200 233.031 -299.727 261.975 -299.726 -325.194 -115.991 261.975 -115.992 54.5595 GPRESSURE: 4277200 313.793 -149.705 271.712 -240.546 -292.717 -133.642 235.708 -60.1646 22.0129 PRESSAVG: 4277200 2.20469 -5.25615 34.3688 -5.25615 -14.9317 -2.0752 34.3688 -2.07521 7.08733 GPRESSAVG: 4277200 1.00919 -4.78578 34.3733 -9.12431 -15.6587 -0.431599 35.8734 -2.39401 8.61912 TIMING: 4277200 CPU: 13360.7, 0.00313807/step Wall: 13360.7, 0.00313807/step, 0.630054 hours remaining, 234.386719 MB of memory in use. ENERGY: 4277200 4003.7254 20564.2335 14431.1856 261.9032 -203214.4793 2799.5822 0.0000 0.0000 52324.3824 -108829.4670 300.7089 -161153.8494 -108466.9031 300.1925 -12.5343 14.3631 763999.2977 -1.8799 -2.0101 PRESSURE: 4277400 339.097 -49.2806 -107.6 -49.28 -304.543 293.411 -107.6 293.411 -63.007 GPRESSURE: 4277400 385.268 -33.6654 -81.4827 35.2789 -237.852 315.399 -114.901 138.6 -94.797 PRESSAVG: 4277400 16.5029 -43.0793 -1.90229 -43.0793 39.2376 29.2937 -1.90221 29.2936 4.76535 GPRESSAVG: 4277400 16.2476 -44.183 -3.13321 -39.1869 40.9992 27.0208 -1.96321 27.5048 3.28 TIMING: 4277400 CPU: 13361.3, 0.00313303/step Wall: 13361.3, 0.00313303/step, 0.628869 hours remaining, 234.386719 MB of memory in use. ENERGY: 4277400 3974.9311 20553.2101 14359.5095 235.3885 -202875.3964 2776.9311 0.0000 0.0000 52111.1439 -108864.2822 299.4835 -160975.4261 -108499.3712 300.1924 -9.4843 17.5397 763940.3344 20.1686 20.1756 PRESSURE: 4277600 -148.108 -37.467 13.1363 -37.4672 -384.744 95.9259 13.1371 95.9256 103.13 GPRESSURE: 4277600 -96.5639 6.27208 -59.8908 -3.99087 -382.999 -19.9204 128.5 179.483 142.966 PRESSAVG: 4277600 7.75521 -31.1137 -29.0981 -31.1138 -22.9116 41.1161 -29.098 41.1161 -1.97598 GPRESSAVG: 4277600 8.39282 -29.9059 -28.4861 -31.5326 -24.6046 41.1285 -29.7684 43.5683 -0.95838 TIMING: 4277600 CPU: 13362, 0.00314753/step Wall: 13362, 0.00314753/step, 0.631605 hours remaining, 234.386719 MB of memory in use. ENERGY: 4277600 3976.8330 20693.5821 14435.1334 242.4204 -203005.3893 2513.2318 0.0000 0.0000 52262.4932 -108881.6954 300.3533 -161144.1886 -108523.3586 299.9837 -143.2409 -112.1993 762887.6670 -5.7108 -5.7234 PRESSURE: 4277800 259.605 119.764 77.6376 119.764 -170.458 76.4874 77.6387 76.4864 162.372 GPRESSURE: 4277800 170.949 102.137 102.202 -15.4804 -69.7817 7.65953 38.2236 120.991 235.986 PRESSAVG: 4277800 -20.1056 -60.8629 -35.568 -60.8629 31.2148 -4.77488 -35.568 -4.77488 6.63175 GPRESSAVG: 4277800 -19.9211 -60.8495 -34.588 -60.9558 31.6215 -3.81057 -34.4473 -3.97269 5.95368 TIMING: 4277800 CPU: 13362.6, 0.00312659/step Wall: 13362.6, 0.0031266/step, 0.62723 hours remaining, 234.386719 MB of memory in use. ENERGY: 4277800 3972.8498 20551.3383 14385.7672 264.7572 -203452.8291 2983.7770 0.0000 0.0000 52369.4499 -108924.8897 300.9679 -161294.3396 -108556.8843 300.2164 83.8397 112.3843 763580.1502 5.9137 5.8847 PRESSURE: 4278000 -185.405 -75.3884 59.0709 -75.3888 212.213 22.5346 59.0712 22.5357 -236.303 GPRESSURE: 4278000 -79.5449 -127.626 38.255 -32.1257 141.868 -26.2117 42.7584 44.893 -202.573 PRESSAVG: 4278000 -11.5621 12.4511 16.5815 12.4512 -14.8883 30.4334 16.5814 30.4333 -2.92333 GPRESSAVG: 4278000 -12.0062 10.2677 17.4769 13.7768 -14.7021 31.2523 14.3629 28.2908 -2.62108 TIMING: 4278000 CPU: 13363.2, 0.00313785/step Wall: 13363.2, 0.00313785/step, 0.629314 hours remaining, 234.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4278000 4034.3360 20680.0143 14449.7107 256.5652 -203302.5914 2689.6030 0.0000 0.0000 52237.6122 -108954.7501 300.2103 -161192.3623 -108592.8259 300.4397 -69.8318 -46.7499 763566.5818 -9.7913 -9.7765 PRESSURE: 4278200 -128.887 -90.4785 20.9398 -90.4786 100.358 -49.7848 20.9401 -49.7858 262.27 GPRESSURE: 4278200 -122.732 -98.6168 36.592 10.3292 203.545 -44.3291 96.9403 -26.251 267.947 PRESSAVG: 4278200 -6.77113 -19.1337 21.4774 -19.1337 43.0541 40.6396 21.4773 40.6396 -16.3787 GPRESSAVG: 4278200 -7.33175 -18.002 19.6568 -18.8017 42.9111 38.493 23.1857 40.9411 -15.4198 TIMING: 4278200 CPU: 13363.9, 0.00312729/step Wall: 13363.9, 0.00312729/step, 0.627022 hours remaining, 234.386719 MB of memory in use. ENERGY: 4278200 4012.0675 20580.0959 14410.8268 238.7915 -203260.0961 2789.6328 0.0000 0.0000 52305.9580 -108922.7236 300.6031 -161228.6817 -108555.5528 300.1691 77.9136 116.2531 761976.8310 6.6348 6.7198 PRESSURE: 4278400 231.377 113.253 256.229 113.253 62.0696 154.241 256.23 154.24 175.352 GPRESSURE: 4278400 305.352 1.44595 201.788 184.948 74.1959 53.097 246.942 237.887 164.315 PRESSAVG: 4278400 52.0508 -26.1099 6.54293 -26.1099 -15.8509 59.3533 6.54295 59.3533 4.66765 GPRESSAVG: 4278400 51.7268 -25.8895 6.77279 -26.9887 -16.0498 60.2288 6.38598 61.0521 4.9377 TIMING: 4278400 CPU: 13364.5, 0.00314085/step Wall: 13364.5, 0.00314085/step, 0.629565 hours remaining, 234.386719 MB of memory in use. ENERGY: 4278400 4027.0048 20684.1519 14440.7786 245.8845 -203472.2537 3066.8540 0.0000 0.0000 52070.6854 -108936.8946 299.2509 -161007.5800 -108574.4463 300.2012 156.2662 181.2878 761503.2680 13.6225 13.5382 PRESSURE: 4278600 153.892 33.5564 -272.471 33.5569 137.912 238.316 -272.471 238.317 -84.6748 GPRESSURE: 4278600 143.896 -77.25 -280.117 2.55022 167.139 187.295 -105.31 105.511 4.14714 PRESSAVG: 4278600 33.1277 -59.2455 -40.865 -59.2455 0.949677 38.6338 -40.8649 38.6338 3.88598 GPRESSAVG: 4278600 32.5289 -57.7387 -38.7688 -61.2814 0.499506 38.0304 -40.5252 37.8592 4.27119 TIMING: 4278600 CPU: 13365.1, 0.00311711/step Wall: 13365.1, 0.00311711/step, 0.624634 hours remaining, 234.386719 MB of memory in use. ENERGY: 4278600 3982.6113 20516.8327 14394.2258 236.0999 -203110.7700 2780.4608 0.0000 0.0000 52382.0879 -108818.4516 301.0406 -161200.5395 -108452.6050 299.9374 69.0431 105.0609 761788.4711 12.6544 12.4332 PRESSURE: 4278800 15.5305 -118.014 -58.8795 -118.015 -113.453 -185.737 -58.8796 -185.738 -302.993 GPRESSURE: 4278800 28.4899 -191.236 6.80465 -79.6294 -84.0935 -253.842 -134.216 -252.614 -257.847 PRESSAVG: 4278800 0.993759 -45.87 -54.3256 -45.87 -20.6436 19.5762 -54.3257 19.5761 16.0302 GPRESSAVG: 4278800 2.24273 -48.66 -55.8359 -43.3166 -19.6922 20.4117 -54.1584 19.5127 13.8728 TIMING: 4278800 CPU: 13365.7, 0.00312434/step Wall: 13365.7, 0.00312434/step, 0.62591 hours remaining, 234.386719 MB of memory in use. ENERGY: 4278800 3972.0340 20598.9011 14404.0714 241.3611 -203106.7156 2711.9712 0.0000 0.0000 52359.7257 -108818.6511 300.9121 -161178.3768 -108452.3455 300.6795 -133.6386 -104.4836 763441.1769 -1.2065 -1.1922 PRESSURE: 4279000 122.17 -185.44 261.375 -185.44 -247.814 -43.1993 261.374 -43.1994 55.9907 GPRESSURE: 4279000 108.948 -157.184 306.884 -197.838 -198.986 31.0024 235.011 4.85958 114.72 PRESSAVG: 4279000 19.7111 -63.6015 11.4837 -63.6015 85.7505 35.3707 11.4838 35.3707 5.99388 GPRESSAVG: 4279000 18.0619 -61.5197 10.502 -65.8831 85.5669 37.6584 10.5606 35.4745 7.56093 TIMING: 4279000 CPU: 13366.4, 0.00312166/step Wall: 13366.4, 0.00312167/step, 0.6252 hours remaining, 234.386719 MB of memory in use. ENERGY: 4279000 4075.9599 20675.5506 14411.6779 243.6660 -202952.7352 2538.4561 0.0000 0.0000 52275.5462 -108731.8784 300.4283 -161007.4246 -108369.8189 300.6982 -23.2176 8.2273 761553.9540 37.1518 37.0632 PRESSURE: 4279200 -261.821 -51.993 30.3885 -51.9925 -328.767 -162.621 30.3887 -162.621 -122.808 GPRESSURE: 4279200 -145.085 -26.3201 83.734 29.8959 -291.568 -122.767 -32.8559 -177.498 -187.557 PRESSAVG: 4279200 45.9519 -22.2947 -17.8817 -22.2947 7.28667 -6.24094 -17.8817 -6.24095 3.56416 GPRESSAVG: 4279200 47.47 -22.631 -15.8714 -21.6152 7.47356 -7.57356 -19.2282 -7.59469 1.92624 TIMING: 4279200 CPU: 13367, 0.00309879/step Wall: 13367, 0.00309879/step, 0.620447 hours remaining, 234.386719 MB of memory in use. ENERGY: 4279200 3976.2186 20533.7396 14548.2987 253.5245 -202985.9048 2571.4812 0.0000 0.0000 52296.7935 -108805.8487 300.5504 -161102.6422 -108431.8263 300.2407 -237.7986 -208.0701 762007.0973 18.9343 18.9566 PRESSURE: 4279400 93.1932 -141.873 -386.657 -141.873 247.74 122.717 -386.657 122.716 -227.466 GPRESSURE: 4279400 136.405 -27.0684 -443.723 -179.859 255.693 69.2008 -339.881 84.9016 -207.445 PRESSAVG: 4279400 -6.84812 -23.6858 -49.4877 -23.6858 20.4394 32.4078 -49.4877 32.4078 -28.5455 GPRESSAVG: 4279400 -7.4817 -22.4545 -49.0816 -23.7131 21.2733 33.1064 -48.4347 31.9106 -28.5902 TIMING: 4279400 CPU: 13367.6, 0.00313115/step Wall: 13367.6, 0.00313115/step, 0.626751 hours remaining, 234.386719 MB of memory in use. ENERGY: 4279400 4066.9500 20790.6436 14404.0297 251.9823 -202888.1376 2513.5926 0.0000 0.0000 52082.9978 -108777.9415 299.3217 -160860.9393 -108420.4215 300.2511 37.8223 61.5511 762897.1303 -4.9847 -4.9328 PRESSURE: 4279600 137.949 -46.4732 103.187 -46.4746 100.044 78.7094 103.187 78.7103 -43.0481 GPRESSURE: 4279600 220.476 17.3315 107.854 33.8336 102.314 -11.1522 46.8666 51.1259 -39.442 PRESSAVG: 4279600 2.93369 -46.6516 -36.6123 -46.6516 -17.8804 18.1032 -36.6124 18.1032 -11.6145 GPRESSAVG: 4279600 4.01629 -47.8002 -38.5881 -46.7637 -19.1854 18.0869 -36.2691 19.136 -11.7776 TIMING: 4279600 CPU: 13368.2, 0.00314218/step Wall: 13368.2, 0.00314218/step, 0.628785 hours remaining, 234.386719 MB of memory in use. ENERGY: 4279600 3918.3610 20473.8411 14395.4492 241.4922 -202859.2248 2757.7939 0.0000 0.0000 52071.0747 -109001.2126 299.2532 -161072.2873 -108633.4008 299.9991 64.9818 94.4494 761579.1151 -8.8537 -8.9822 PRESSURE: 4279800 -250.298 -54.2062 95.1112 -54.206 -86.8283 149.956 95.1115 149.956 -297.139 GPRESSURE: 4279800 -267.947 -30.0086 120.849 -156.516 0.718992 47.8338 123.637 111.365 -272.866 PRESSAVG: 4279800 21.8894 -13.2263 -32.1776 -13.2263 -12.0572 29.8776 -32.1776 29.8777 -20.6601 GPRESSAVG: 4279800 21.1534 -12.7135 -31.0579 -14.6914 -10.6961 27.0764 -31.8485 30.0149 -20.8912 TIMING: 4279800 CPU: 13368.9, 0.00311761/step Wall: 13368.9, 0.00311762/step, 0.623696 hours remaining, 234.386719 MB of memory in use. ENERGY: 4279800 4017.0485 20318.6666 14467.3425 232.0636 -202892.4243 2613.4044 0.0000 0.0000 52177.6045 -109066.2943 299.8654 -161243.8987 -108707.7972 299.1929 -211.4219 -180.0313 762242.9404 -3.6093 -3.4780 PRESSURE: 4280000 299.916 -108.067 219.128 -108.066 53.1289 -89.8912 219.128 -89.8903 396.034 GPRESSURE: 4280000 206.053 -130.068 147.186 -172.464 170.401 -18.0949 323.979 36.6244 460.369 PRESSAVG: 4280000 27.9658 -35.2326 -9.97126 -35.2326 8.9278 48.4825 -9.9713 48.4825 19.2687 GPRESSAVG: 4280000 28.7621 -35.4774 -10.4438 -36.1777 7.78723 49.4994 -11.6844 47.6784 20.0171 TIMING: 4280000 CPU: 13369.5, 0.00316061/step Wall: 13369.5, 0.00316061/step, 0.632123 hours remaining, 234.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4280000 3987.7560 20460.7274 14467.5011 223.5226 -203314.3519 2947.6684 0.0000 0.0000 52181.3055 -109045.8709 299.8867 -161227.1764 -108685.7038 299.3523 249.6931 278.9411 763175.9733 18.7208 18.8555 PRESSURE: 4280200 208.864 -37.7476 -28.3333 -37.747 208.337 20.8788 -28.3338 20.8786 -296.098 GPRESSURE: 4280200 177.016 -118.626 -12.3729 -38.2207 309.642 -82.0481 5.32568 -8.60784 -292.798 PRESSAVG: 4280200 -17.8659 -30.0996 -61.319 -30.0996 24.9591 -3.99078 -61.319 -3.99092 -1.37651 GPRESSAVG: 4280200 -18.313 -31.9249 -61.7976 -27.7054 25.6089 -3.4974 -58.5261 -5.90558 -0.982037 TIMING: 4280200 CPU: 13370.1, 0.00310987/step Wall: 13370.1, 0.00310987/step, 0.6218 hours remaining, 234.386719 MB of memory in use. ENERGY: 4280200 3936.1008 20448.0566 14370.1434 242.5696 -202995.1153 2728.5697 0.0000 0.0000 52226.1559 -109043.5193 300.1444 -161269.6751 -108682.2670 299.3130 40.3676 64.6201 763871.7186 1.9056 2.1046 LDB: ============= START OF LOAD BALANCING ============== 13382.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13382.6 LDB: =============== DONE WITH MIGRATION ================ 13382.6 LDB: ============= START OF LOAD BALANCING ============== 13382.9 LDB: Largest compute 7031 load 0.031412 is 16.1% of average load 0.195270 LDB: Average compute 0.004385 is 2.2% of average load 0.195270 LDB: TIME 13382.9 LOAD: AVG 0.19527 MAX 0.219508 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.551 MB LDB: TIME 13382.9 LOAD: AVG 0.19527 MAX 0.219508 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.555 MB LDB: TIME 13382.9 LOAD: AVG 0.19527 MAX 0.214839 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.555 MB LDB: ============== END OF LOAD BALANCING =============== 13382.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13382.9 PRESSURE: 4280400 50.282 74.0856 -55.3853 74.0857 -264.729 -95.921 -55.385 -95.9208 -172.176 GPRESSURE: 4280400 53.4354 23.7263 -158.191 143.172 -199.566 -38.3633 -96.6816 18.6419 -161.545 PRESSAVG: 4280400 -60.8098 -9.54841 -28.6455 -9.54841 15.8975 34.0729 -28.6455 34.0728 -0.493538 GPRESSAVG: 4280400 -60.7123 -9.9257 -29.2428 -8.97858 14.5286 35.0062 -30.9692 35.1717 0.91181 TIMING: 4280400 CPU: 13370.7, 0.00319789/step Wall: 13370.7, 0.00319789/step, 0.639223 hours remaining, 234.320312 MB of memory in use. ENERGY: 4280400 3991.2738 20591.5272 14413.0804 238.3052 -203108.5841 3000.0639 0.0000 0.0000 51984.2971 -108890.0366 298.7545 -160874.3337 -108527.8950 299.2686 -128.8743 -102.5586 764711.5552 -15.1353 -15.0906 PRESSURE: 4280600 -252.116 -250.285 204.65 -250.285 -245.957 -166.933 204.651 -166.933 -185.371 GPRESSURE: 4280600 -272.363 -185.605 162.264 -220.179 -125.71 -113.981 253.762 -42.2325 -205.406 PRESSAVG: 4280600 -54.2669 -39.2149 -9.44875 -39.2149 56.8116 9.6158 -9.44873 9.61582 -13.5707 GPRESSAVG: 4280600 -54.4368 -37.8059 -10.078 -38.8501 58.8166 8.66287 -8.38203 9.69387 -14.1942 TIMING: 4280600 CPU: 13371.4, 0.0031487/step Wall: 13371.4, 0.0031487/step, 0.629214 hours remaining, 234.390625 MB of memory in use. ENERGY: 4280600 4059.4922 20703.0233 14398.3421 249.2834 -202714.0457 2577.6569 0.0000 0.0000 51929.5601 -108796.6876 298.4399 -160726.2478 -108444.3419 300.2866 -227.8147 -201.1598 764831.4811 -3.6753 -3.2714 PRESSURE: 4280800 10.0881 -91.1926 -11.7298 -91.1927 60.3487 121.154 -11.73 121.155 131.701 GPRESSURE: 4280800 132.378 -122.412 -10.3342 -84.8413 60.5766 -4.24982 11.6428 59.6632 86.9603 PRESSAVG: 4280800 -8.41152 -45.5778 -33.1874 -45.5777 -4.29497 10.6541 -33.1873 10.6541 8.9577 GPRESSAVG: 4280800 -6.56596 -45.1615 -30.0368 -46.2378 -5.63097 10.0316 -33.7553 10.3218 8.11629 TIMING: 4280800 CPU: 13372, 0.00315508/step Wall: 13372, 0.00315508/step, 0.630315 hours remaining, 234.390625 MB of memory in use. ENERGY: 4280800 3973.3491 20599.6591 14426.4229 262.5952 -203015.3442 2466.8228 0.0000 0.0000 52417.4321 -108869.0629 301.2437 -161286.4950 -108501.7981 300.2548 67.3793 93.3049 761035.3743 -1.2496 -1.3602 PRESSURE: 4281000 414.836 -10.2197 49.1391 -10.2195 397.584 -112.083 49.1395 -112.083 -146.006 GPRESSURE: 4281000 413.274 -74.075 17.0421 14.6733 404.156 -62.2609 147.657 -36.7152 -64.3902 PRESSAVG: 4281000 3.28566 20.4563 -4.00985 20.4563 47.7542 50.4144 -4.00985 50.4145 2.012 GPRESSAVG: 4281000 1.60827 19.1233 -5.34068 20.4172 47.722 51.5201 -3.51606 50.6413 3.13077 TIMING: 4281000 CPU: 13372.6, 0.00310749/step Wall: 13372.6, 0.00310749/step, 0.620635 hours remaining, 234.390625 MB of memory in use. ENERGY: 4281000 4040.8588 20556.0101 14463.8658 251.6403 -203271.3662 2978.7686 0.0000 0.0000 51921.0259 -109059.1966 298.3908 -160980.2225 -108698.6676 299.7906 222.1380 251.0135 761923.4993 17.6839 17.4870 PRESSURE: 4281200 -424.126 -2.5771 21.6395 -2.57615 -151.192 93.6986 21.6398 93.6989 162.904 GPRESSURE: 4281200 -372.378 59.0799 -36.3688 56.7051 -109.666 138.873 20.0127 33.0929 158.297 PRESSAVG: 4281200 -21.042 32.9856 29.2622 32.9856 19.6014 -10.8266 29.2623 -10.8267 14.691 GPRESSAVG: 4281200 -20.0297 33.1317 27.6549 33.0912 19.983 -11.2727 30.381 -10.7839 13.0051 TIMING: 4281200 CPU: 13373.3, 0.00312698/step Wall: 13373.3, 0.00312698/step, 0.624353 hours remaining, 234.390625 MB of memory in use. ENERGY: 4281200 3985.5236 20322.3380 14461.5261 242.2981 -203295.9811 2891.0719 0.0000 0.0000 52142.0208 -109251.2026 299.6609 -161393.2234 -108877.8543 299.1212 -137.4713 -107.9153 762190.8920 4.4168 4.3195 PRESSURE: 4281400 427.256 -52.8361 -30.2853 -52.8354 54.7877 -62.8417 -30.2853 -62.8417 139.392 GPRESSURE: 4281400 448.11 27.1805 40.5056 53.3556 90.9075 -86.8814 -30.981 44.6493 163.483 PRESSAVG: 4281400 -40.7859 -4.55384 14.9998 -4.5538 -5.72559 -11.9431 14.9998 -11.9431 -4.00414 GPRESSAVG: 4281400 -39.7976 -3.1498 15.0312 -4.99833 -6.87388 -12.0178 13.002 -12.8011 -4.04479 TIMING: 4281400 CPU: 13373.9, 0.00314393/step Wall: 13373.9, 0.00314393/step, 0.627563 hours remaining, 234.390625 MB of memory in use. ENERGY: 4281400 3975.3597 20439.4066 14453.2616 265.6628 -203327.8854 2773.7528 0.0000 0.0000 52302.6783 -109117.7637 300.5842 -161420.4420 -108760.4381 299.4426 207.1452 234.1669 764123.8115 -16.8385 -16.9054 PRESSURE: 4281600 -71.2097 106.216 -106.748 106.216 -346.65 -26.9002 -106.748 -26.9016 -70.2541 GPRESSURE: 4281600 -34.9431 -18.0165 -103.615 158.694 -321.627 -34.3252 -17.6996 -47.3692 -53.0345 PRESSAVG: 4281600 71.1263 31.3335 -14.9968 31.3336 -42.2575 19.3346 -14.9969 19.3347 6.4742 GPRESSAVG: 4281600 69.4103 29.9093 -11.4683 32.4263 -41.8544 19.5083 -15.6865 20.6709 7.53271 TIMING: 4281600 CPU: 13374.5, 0.00313104/step Wall: 13374.5, 0.00313104/step, 0.624816 hours remaining, 234.390625 MB of memory in use. ENERGY: 4281600 3896.5369 20604.7386 14526.0461 229.5403 -203026.8897 2645.9694 0.0000 0.0000 51909.5620 -109214.4964 298.3250 -161124.0584 -108857.9923 299.3500 -162.7047 -136.5349 762909.7859 11.7810 11.6962 PRESSURE: 4281800 -452.549 -46.6364 -24.2112 -46.6362 -221.966 -40.5984 -24.2113 -40.5983 -80.3267 GPRESSURE: 4281800 -319.397 -200.1 -55.5164 -153.617 -199.497 55.6241 -32.132 -18.5568 -148.817 PRESSAVG: 4281800 17.996 -0.610368 -20.841 -0.610376 -33.6964 26.8693 -20.8411 26.8693 15.6466 GPRESSAVG: 4281800 18.5998 -0.734739 -23.1032 -0.57123 -33.6544 26.1566 -19.3802 27.4309 15.0942 TIMING: 4281800 CPU: 13375.1, 0.00312973/step Wall: 13375.1, 0.00312973/step, 0.624381 hours remaining, 234.390625 MB of memory in use. ENERGY: 4281800 4032.8497 20474.6315 14414.5669 237.7986 -203378.3935 2964.5343 0.0000 0.0000 52043.7182 -109210.2944 299.0960 -161254.0126 -108841.1059 298.6495 -251.6140 -222.5703 763793.9617 -0.0179 0.0132 PRESSURE: 4282000 39.1196 -82.1888 332.002 -82.1887 270.148 -67.4363 332.002 -67.4368 -7.26495 GPRESSURE: 4282000 22.0424 -69.716 261.038 24.9787 265.745 -41.7552 254.308 -51.9189 102.983 PRESSAVG: 4282000 -49.0319 -21.8264 10.7354 -21.8264 31.8962 -23.6501 10.7353 -23.6502 -12.4296 GPRESSAVG: 4282000 -50.0951 -18.9789 11.5554 -25.458 31.6896 -25.0038 10.4111 -22.6314 -11.4004 TIMING: 4282000 CPU: 13375.8, 0.00311385/step Wall: 13375.8, 0.00311385/step, 0.62104 hours remaining, 234.390625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4282000 4009.8349 20775.8026 14505.8925 248.3032 -203727.2551 3061.6188 0.0000 0.0000 51920.0244 -109205.7787 298.3851 -161125.8031 -108857.6517 299.3707 100.6676 130.2567 762381.4232 -9.8551 -9.9353 PRESSURE: 4282200 83.6158 105.592 -134.782 105.592 47.7674 -106.923 -134.782 -106.924 165.829 GPRESSURE: 4282200 89.3042 34.69 -107.065 138.343 110.039 -71.5574 -45.6341 -50.3331 172.279 PRESSAVG: 4282200 10.4392 -25.9267 -17.5965 -25.9267 -20.5155 10.7156 -17.5965 10.7156 9.20177 GPRESSAVG: 4282200 11.0441 -25.8835 -18.0386 -24.9432 -20.1568 11.3366 -15.8862 9.58493 8.17829 TIMING: 4282200 CPU: 13376.4, 0.00312439/step Wall: 13376.4, 0.00312439/step, 0.622969 hours remaining, 234.390625 MB of memory in use. ENERGY: 4282200 3925.6064 20584.5546 14443.7706 235.2652 -202845.4921 2543.5463 0.0000 0.0000 51988.3484 -109124.4007 298.7778 -161112.7490 -108766.1690 299.3734 99.0708 123.8739 762664.1173 -0.2915 -0.3115 PRESSURE: 4282400 327.508 -100.865 -106.309 -100.866 334.432 -179.761 -106.31 -179.761 235.93 GPRESSURE: 4282400 305.195 -120.389 -116.294 -26.0232 386.577 -162.953 -90.1495 -248.235 263.203 PRESSAVG: 4282400 51.4281 -47.9146 -0.0210215 -47.9146 -5.8159 28.0768 -0.0210123 28.0767 -2.90766 GPRESSAVG: 4282400 51.3551 -50.5085 -2.19238 -48.1544 -7.05814 27.7019 -0.341146 27.0603 -1.82301 TIMING: 4282400 CPU: 13377, 0.00313632/step Wall: 13377, 0.00313633/step, 0.625174 hours remaining, 234.390625 MB of memory in use. ENERGY: 4282400 3871.2587 20603.8173 14454.1890 245.3891 -203296.4328 2735.0539 0.0000 0.0000 52285.4728 -109101.2519 300.4853 -161386.7247 -108743.2169 299.1537 299.2900 318.3248 762101.5196 14.2348 14.1580 PRESSURE: 4282600 -69.6811 -167.324 107.716 -167.325 -478.282 4.26187 107.715 4.26191 -122.245 GPRESSURE: 4282600 -68.1026 -187.89 261.037 -282.134 -407.009 63.978 -5.073 -3.63436 -107.209 PRESSAVG: 4282600 41.289 -21.2716 -5.2687 -21.2716 -37.0559 43.0715 -5.26865 43.0716 -18.3381 GPRESSAVG: 4282600 41.7672 -19.8336 -3.28389 -20.6989 -35.6776 44.2279 -6.31784 45.8506 -19.7584 TIMING: 4282600 CPU: 13377.6, 0.0031285/step Wall: 13377.6, 0.0031285/step, 0.62344 hours remaining, 234.390625 MB of memory in use. ENERGY: 4282600 3984.4867 20584.8497 14527.5617 264.3717 -202883.8394 2535.9577 0.0000 0.0000 52096.1142 -108890.4977 299.3971 -160986.6119 -108533.9044 299.6928 -223.4028 -194.1068 762691.8268 -4.7017 -4.5563 PRESSURE: 4282800 -113.681 -55.5818 81.4087 -55.5816 -76.0505 -23.0736 81.409 -23.0724 -564.316 GPRESSURE: 4282800 -82.2137 -86.5117 48.9446 -77.6696 19.4938 -19.1746 38.6992 56.6064 -593.439 PRESSAVG: 4282800 -26.1704 -49.7585 -43.0337 -49.7586 -2.02433 32.7612 -43.0337 32.7613 -8.15218 GPRESSAVG: 4282800 -26.4628 -50.2865 -43.3108 -48.4669 -3.25036 32.6732 -44.3193 32.0413 -6.29882 TIMING: 4282800 CPU: 13378.3, 0.00313278/step Wall: 13378.3, 0.00313278/step, 0.624119 hours remaining, 234.390625 MB of memory in use. ENERGY: 4282800 3953.7815 20407.1631 14445.7947 248.0032 -203039.0203 2929.2745 0.0000 0.0000 52097.8628 -108957.1404 299.4071 -161055.0033 -108598.4686 299.5559 -251.3494 -218.7197 763866.1459 -12.1156 -12.0040 PRESSURE: 4283000 -9.55226 -221.745 176.763 -221.745 86.6244 118.312 176.763 118.312 172.976 GPRESSURE: 4283000 15.577 -77.5864 244.027 -121.997 7.63573 124.723 37.8042 82.2018 316.195 PRESSAVG: 4283000 11.2906 -30.2194 -4.80888 -30.2193 46.1849 -3.39852 -4.80891 -3.39856 -7.44533 GPRESSAVG: 4283000 12.8152 -30.6223 -5.33387 -32.687 46.2475 -2.89221 -2.31126 -5.45353 -9.23983 TIMING: 4283000 CPU: 13378.9, 0.00312564/step Wall: 13378.9, 0.00312564/step, 0.622523 hours remaining, 234.390625 MB of memory in use. ENERGY: 4283000 3945.8260 20343.5184 14475.2793 260.6746 -203360.1615 3051.3573 0.0000 0.0000 52030.1535 -109253.3523 299.0180 -161283.5058 -108892.4929 299.6245 83.3493 113.1359 763896.4736 16.6767 16.6076 PRESSURE: 4283200 -26.1732 23.5719 -14.0425 23.5712 -43.847 41.6489 -14.0432 41.6498 -12.0799 GPRESSURE: 4283200 -55.2051 117.346 -61.8799 -141.698 21.1522 102.845 3.9173 113.377 41.3228 PRESSAVG: 4283200 42.3886 -42.5314 -27.247 -42.5314 -17.4407 60.7148 -27.2471 60.7149 -13.3337 GPRESSAVG: 4283200 39.4749 -43.3897 -25.2431 -41.3405 -15.9059 60.2355 -27.534 61.4389 -12.0372 TIMING: 4283200 CPU: 13379.5, 0.00311383/step Wall: 13379.5, 0.00311383/step, 0.619997 hours remaining, 234.390625 MB of memory in use. ENERGY: 4283200 3956.2254 20547.4817 14500.8709 253.3885 -203316.9897 2761.8103 0.0000 0.0000 52158.7302 -109138.4827 299.7569 -161297.2129 -108780.1455 299.2743 -27.3667 2.4233 763438.6197 3.8714 3.8439 PRESSURE: 4283400 178.062 120.165 -129.844 120.164 -36.528 49.656 -129.843 49.6552 -393.622 GPRESSURE: 4283400 146.118 74.3661 -58.6343 16.4387 28.4999 84.9996 -93.834 -90.4514 -344.12 PRESSAVG: 4283400 12.8132 -37.0439 28.297 -37.044 -18.0886 19.7358 28.2971 19.7357 2.45173 GPRESSAVG: 4283400 12.9415 -35.3506 27.7092 -35.6699 -18.3387 20.0276 27.2654 18.9226 2.19837 TIMING: 4283400 CPU: 13380.1, 0.00311937/step Wall: 13380.1, 0.00311937/step, 0.620929 hours remaining, 234.390625 MB of memory in use. ENERGY: 4283400 4055.6822 20429.3556 14416.8141 225.8131 -203203.9053 2783.8648 0.0000 0.0000 51935.7896 -109356.5859 298.4757 -161292.3755 -108998.0762 299.5518 -84.0295 -56.5008 764278.7015 -0.9412 -1.0663 PRESSURE: 4283600 439.54 -270.774 -118.643 -270.775 -22.217 -47.7939 -118.643 -47.7946 247.979 GPRESSURE: 4283600 445.874 -275.745 -152.854 -237.62 -12.55 -109.366 -103.487 31.0832 335.987 PRESSAVG: 4283600 40.125 -31.8409 0.0195609 -31.841 -6.29663 -0.839575 0.0195524 -0.839557 5.84711 GPRESSAVG: 4283600 41.5858 -32.0737 -1.04335 -32.5564 -7.67973 -0.62845 -0.463381 -0.0803414 5.0682 TIMING: 4283600 CPU: 13380.8, 0.00310264/step Wall: 13380.8, 0.00310264/step, 0.617426 hours remaining, 234.390625 MB of memory in use. ENERGY: 4283600 4012.6235 20450.9891 14436.7567 272.6948 -203563.1844 2949.4775 0.0000 0.0000 52121.7262 -109318.9167 299.5443 -161440.6430 -108962.3506 299.3047 221.7672 256.4372 762108.3931 13.2252 12.9914 PRESSURE: 4283800 -83.0435 -258.818 120.466 -258.818 41.4088 70.9355 120.465 70.9353 -20.4898 GPRESSURE: 4283800 -116.593 -177.577 102.84 -153.588 62.6922 115.725 255.874 97.5503 59.1422 PRESSAVG: 4283800 103.449 7.88064 -19.4423 7.88066 -79.633 -24.2057 -19.4423 -24.2056 14.3277 GPRESSAVG: 4283800 103.301 7.37203 -17.4859 7.12776 -80.0507 -25.2183 -19.4977 -23.8097 14.6711 TIMING: 4283800 CPU: 13381.4, 0.00312423/step Wall: 13381.4, 0.00312423/step, 0.621549 hours remaining, 234.390625 MB of memory in use. ENERGY: 4283800 3995.3592 20685.0508 14384.2758 244.8481 -203272.4454 2765.3980 0.0000 0.0000 52038.8877 -109158.6259 299.0682 -161197.5135 -108792.4467 299.3262 -20.7082 1.7472 761325.3493 12.7147 12.6406 PRESSURE: 4284000 357.272 -27.2998 4.63894 -27.2998 25.3541 124.101 4.63787 124.102 315.586 GPRESSURE: 4284000 439.26 -145.955 12.7669 30.7764 121.833 183.265 -26.8528 182.372 241.248 PRESSAVG: 4284000 30.9015 -25.6367 -9.49684 -25.6367 -11.8588 3.66679 -9.49688 3.66689 0.287338 GPRESSAVG: 4284000 29.6541 -26.3152 -10.5637 -24.7858 -10.224 2.96127 -8.88788 4.13289 -0.424819 TIMING: 4284000 CPU: 13382, 0.00311944/step Wall: 13382, 0.00311944/step, 0.620421 hours remaining, 234.378906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4284000 4020.8917 20719.7597 14483.0549 251.0013 -203325.1842 2755.4780 0.0000 0.0000 51963.5735 -109131.4251 298.6354 -161094.9986 -108768.6111 300.0942 232.7374 267.4470 761231.3311 6.4433 6.3351 PRESSURE: 4284200 -298.748 -12.6035 312.128 -12.6031 200.518 38.6464 312.128 38.6464 42.7131 GPRESSURE: 4284200 -158.161 -90.5143 251.521 -69.7679 29.1861 19.0479 219.68 -2.45645 152.633 PRESSAVG: 4284200 75.7038 -10.4648 -7.60993 -10.4649 -9.11572 56.7019 -7.60998 56.702 16.1721 GPRESSAVG: 4284200 77.9797 -9.97137 -8.62668 -12.0519 -11.3843 58.7815 -7.0985 56.9698 16.1684 TIMING: 4284200 CPU: 13382.6, 0.00312108/step Wall: 13382.6, 0.00312108/step, 0.620575 hours remaining, 234.390625 MB of memory in use. ENERGY: 4284200 4017.7461 20540.5935 14489.6561 268.1222 -203344.2262 2750.2367 0.0000 0.0000 52125.0059 -109152.8657 299.5631 -161277.8716 -108792.7415 299.9694 -18.5056 7.8858 759880.0696 27.5867 27.5879 LDB: ============= START OF LOAD BALANCING ============== 13395.1 LDB: ============== END OF LOAD BALANCING =============== 13395.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13395.1 LDB: ============= START OF LOAD BALANCING ============== 13395.4 LDB: Largest compute 7031 load 0.029872 is 15.3% of average load 0.195262 LDB: Average compute 0.004389 is 2.2% of average load 0.195262 LDB: TIME 13395.4 LOAD: AVG 0.195262 MAX 0.217461 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.609 MB LDB: TIME 13395.4 LOAD: AVG 0.195262 MAX 0.217461 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.613 MB LDB: TIME 13395.4 LOAD: AVG 0.195262 MAX 0.217461 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.613 MB LDB: ============== END OF LOAD BALANCING =============== 13395.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13395.4 PRESSURE: 4284400 -37.2158 -185.911 45.8243 -185.911 -115.803 -50.0051 45.8245 -50.0052 -398.677 GPRESSURE: 4284400 15.1679 -231.644 8.76766 -65.7831 -103.571 -88.9089 82.2343 -18.2466 -370.953 PRESSAVG: 4284400 60.9415 -1.69031 22.1104 -1.69028 -78.3257 1.52346 22.1105 1.52352 -1.02954 GPRESSAVG: 4284400 60.2476 -0.209832 23.5937 -0.207042 -77.4772 -0.413109 22.5116 -0.148322 -1.23222 TIMING: 4284400 CPU: 13383.3, 0.00318729/step Wall: 13383.3, 0.00318729/step, 0.633563 hours remaining, 234.761719 MB of memory in use. ENERGY: 4284400 4064.7299 20365.2688 14387.3708 236.2219 -203503.3642 2915.4074 0.0000 0.0000 52334.1202 -109200.2452 300.7649 -161534.3654 -108844.6011 300.0438 -183.8987 -153.1186 762095.8779 -6.1379 -6.1539 PRESSURE: 4284600 -1.48614 -21.5851 -119.122 -21.5846 -231.631 -93.5909 -119.123 -93.591 -141.658 GPRESSURE: 4284600 -19.7315 65.9007 -258.324 11.6456 -195.83 7.42948 16.9346 111.601 -59.903 PRESSAVG: 4284600 74.0492 -23.8851 -21.3056 -23.8852 -57.6015 -1.59836 -21.3056 -1.59838 2.84624 GPRESSAVG: 4284600 72.0382 -25.9676 -22.1249 -23.0827 -55.8041 -0.138876 -22.0185 -0.33427 3.16481 TIMING: 4284600 CPU: 13383.9, 0.00311693/step Wall: 13383.9, 0.00311693/step, 0.619403 hours remaining, 234.964844 MB of memory in use. ENERGY: 4284600 4055.9404 20586.3624 14475.8862 232.8432 -202985.1743 2650.9294 0.0000 0.0000 51884.1497 -109099.0629 298.1789 -160983.2127 -108738.2129 299.6514 -124.9251 -91.8216 762968.1038 6.4313 6.4663 PRESSURE: 4284800 -143.189 7.49196 146.17 7.49285 144.412 -266.294 146.171 -266.294 -190.747 GPRESSURE: 4284800 -133.862 -23.4168 59.4579 68.5063 200.487 -264.693 -7.92024 -216.809 -169.744 PRESSAVG: 4284800 62.4794 -27.32 39.8109 -27.32 -38.9618 25.6183 39.811 25.6183 8.08642 GPRESSAVG: 4284800 62.82 -24.9037 36.9572 -28.3375 -39.3407 25.1637 42.1626 25.6301 8.2661 TIMING: 4284800 CPU: 13384.5, 0.00314431/step Wall: 13384.5, 0.00314431/step, 0.624669 hours remaining, 235.031250 MB of memory in use. ENERGY: 4284800 3979.3272 20594.7856 14399.9098 227.7129 -203086.3095 2588.1758 0.0000 0.0000 52066.1451 -109230.2532 299.2249 -161296.3983 -108866.6787 299.2012 -63.1749 -34.3728 762022.0258 10.5347 10.5818 PRESSURE: 4285000 -16.2912 -50.3367 127.491 -50.3376 -172.257 -25.2096 127.491 -25.2104 104.145 GPRESSURE: 4285000 37.1358 37.6698 64.7212 -27.1116 -117.312 -46.0971 64.148 -83.0718 75.2025 PRESSAVG: 4285000 20.1583 -43.5613 -18.3416 -43.5612 -17.0082 -57.0876 -18.3416 -57.0876 10.5004 GPRESSAVG: 4285000 20.9302 -43.8062 -17.036 -44.1045 -17.8213 -57.2418 -18.2728 -57.056 10.1519 TIMING: 4285000 CPU: 13385.1, 0.00312204/step Wall: 13385.1, 0.00312204/step, 0.620071 hours remaining, 235.031250 MB of memory in use. ENERGY: 4285000 3987.0750 20699.5946 14446.0171 237.0476 -203216.9890 2554.7360 0.0000 0.0000 52187.7555 -109104.7632 299.9237 -161292.5187 -108740.1187 299.7761 -28.1343 -1.6579 762227.4171 4.5502 4.4202 PRESSURE: 4285200 53.3522 -226.177 -55.5885 -226.177 -188.122 -54.1872 -55.5878 -54.1867 -267.173 GPRESSURE: 4285200 82.8451 -22.0892 -38.4504 -242.764 -184.609 -38.2647 -7.8007 16.6582 -219.751 PRESSAVG: 4285200 -26.6627 -17.7638 17.3038 -17.7637 -12.1555 11.8234 17.3038 11.8235 -28.2396 GPRESSAVG: 4285200 -27.7531 -18.4213 18.5165 -16.4159 -11.6597 13.2964 17.366 9.80074 -27.5334 TIMING: 4285200 CPU: 13385.8, 0.00310695/step Wall: 13385.8, 0.00310695/step, 0.616902 hours remaining, 235.101562 MB of memory in use. ENERGY: 4285200 3978.3022 20523.4725 14435.7165 246.3227 -203415.3422 2785.4516 0.0000 0.0000 52186.0164 -109260.0603 299.9138 -161446.0767 -108906.0012 299.8409 -133.9810 -107.1716 762164.1819 -22.3526 -22.3154 PRESSURE: 4285400 -329.9 -218.726 14.8708 -218.727 51.2879 -16.1882 14.8703 -16.1882 -250.709 GPRESSURE: 4285400 -280.084 -182.752 -8.63429 -226.107 41.104 87.0985 63.634 -28.2854 -230.041 PRESSAVG: 4285400 68.4086 -41.9289 61.7341 -41.9289 -63.07 -33.2488 61.734 -33.2488 6.87806 GPRESSAVG: 4285400 68.444 -42.6131 62.2792 -42.3093 -62.8048 -33.7689 58.6729 -32.4404 7.20139 TIMING: 4285400 CPU: 13386.4, 0.00310266/step Wall: 13386.4, 0.00310266/step, 0.615878 hours remaining, 235.101562 MB of memory in use. ENERGY: 4285400 4062.8073 20584.7086 14442.4396 237.6219 -203406.4700 2674.1449 0.0000 0.0000 52124.7197 -109280.0281 299.5615 -161404.7478 -108932.8327 300.0102 -176.4404 -156.3406 761863.5519 4.0722 4.2802 PRESSURE: 4285600 169.699 -63.4049 87.8361 -63.405 -463.281 159.436 87.8352 159.438 -78.3384 GPRESSURE: 4285600 200.201 -95.0552 96.1437 -163.749 -417.014 211.212 94.748 -113.485 -51.1513 PRESSAVG: 4285600 2.86766 -58.6493 -13.1412 -58.6492 -25.8627 1.42546 -13.1412 1.42548 20.6297 GPRESSAVG: 4285600 4.62734 -58.0417 -14.8792 -60.0839 -27.1895 1.36554 -10.6723 1.94817 20.1611 TIMING: 4285600 CPU: 13387, 0.00311363/step Wall: 13387, 0.00311363/step, 0.617883 hours remaining, 235.101562 MB of memory in use. ENERGY: 4285600 3925.2854 20564.3867 14473.2371 263.3390 -203278.8178 2700.0781 0.0000 0.0000 51825.0110 -109527.4806 297.8391 -161352.4916 -109164.5163 299.0169 -123.9734 -89.3215 761508.2949 -0.7885 -0.8004 PRESSURE: 4285800 86.8575 13.7159 -235.655 13.7153 172.791 267.326 -235.656 267.326 -173.54 GPRESSURE: 4285800 76.7634 5.82632 -240.655 -18.2587 224.68 211.634 -354.301 241.678 -108.864 PRESSAVG: 4285800 -0.298773 -71.4639 -25.0199 -71.464 17.6634 3.15566 -25.02 3.1557 5.53584 GPRESSAVG: 4285800 -1.87475 -70.6378 -24.5002 -70.7552 18.4482 3.87711 -24.9731 1.57024 6.43376 TIMING: 4285800 CPU: 13387.6, 0.00310768/step Wall: 13387.6, 0.00310768/step, 0.616529 hours remaining, 235.101562 MB of memory in use. ENERGY: 4285800 3956.6751 20627.4386 14494.6659 255.7363 -204006.4563 3093.5122 0.0000 0.0000 51830.3676 -109748.0605 297.8698 -161578.4281 -109390.8770 298.7620 28.7029 64.1932 759995.0233 7.6335 7.6691 PRESSURE: 4286000 -93.0005 -179.307 -25.1514 -179.307 293.225 -243.937 -25.1518 -243.937 251.222 GPRESSURE: 4286000 -34.7055 -206.769 -58.4109 -181.418 281.528 -291.511 129.38 -158.622 278.223 PRESSAVG: 4286000 14.7939 -41.235 -19.4204 -41.235 -15.0611 -13.406 -19.4205 -13.406 6.09694 GPRESSAVG: 4286000 14.9517 -42.2642 -17.3581 -43.216 -14.0673 -14.1625 -20.9571 -11.5086 4.77822 TIMING: 4286000 CPU: 13388.2, 0.00310893/step Wall: 13388.2, 0.00310893/step, 0.616604 hours remaining, 235.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4286000 3913.3708 20527.9577 14454.3092 255.4390 -203841.3247 2875.2017 0.0000 0.0000 51828.2639 -109986.7823 297.8577 -161815.0463 -109631.6093 298.8423 150.4824 175.0154 760929.3518 1.9433 1.8875 PRESSURE: 4286200 -564.787 -70.773 -247.755 -70.7731 -144.815 -93.1199 -247.755 -93.1184 -86.2803 GPRESSURE: 4286200 -387.129 -15.2449 -126.978 -46.9635 -179.974 -109.547 -272.522 1.21893 -153.889 PRESSAVG: 4286200 31.3681 -45.6603 8.78668 -45.6603 -35.7873 33.5929 8.78664 33.5929 -2.27063 GPRESSAVG: 4286200 32.3745 -44.6419 7.25908 -44.2477 -36.3882 33.3929 8.02255 33.8321 -2.25526 TIMING: 4286200 CPU: 13388.9, 0.00314199/step Wall: 13388.9, 0.00314199/step, 0.622987 hours remaining, 235.101562 MB of memory in use. ENERGY: 4286200 4029.6272 20421.3649 14439.9487 254.0987 -203619.0349 2621.4377 0.0000 0.0000 51909.3979 -109943.1596 298.3240 -161852.5575 -109586.1792 298.1459 -265.2939 -240.3308 761961.1945 -2.2299 -2.0896 PRESSURE: 4286400 200.859 -95.4922 152.062 -95.4915 -120.517 93.1752 152.062 93.1759 418.496 GPRESSURE: 4286400 235.468 -119.85 164.875 -112.514 -77.0344 -9.41358 178.224 159.372 417.112 PRESSAVG: 4286400 69.208 -16.8455 26.4478 -16.8456 -14.0506 8.71019 26.4478 8.71013 -2.75396 GPRESSAVG: 4286400 68.2146 -15.7036 26.5715 -17.112 -14.25 6.81815 28.7068 6.61113 -1.46976 TIMING: 4286400 CPU: 13389.5, 0.00312513/step Wall: 13389.5, 0.00312513/step, 0.61947 hours remaining, 235.101562 MB of memory in use. ENERGY: 4286400 3919.1962 20502.7554 14492.5869 252.4903 -203496.2565 2709.8068 0.0000 0.0000 51808.1359 -109811.2851 297.7421 -161619.4210 -109457.7337 298.1620 166.2794 191.8484 761868.6223 17.4678 17.4983 PRESSURE: 4286600 141.35 78.6776 25.599 78.6779 45.6133 -154.098 25.5988 -154.098 398.695 GPRESSURE: 4286600 138.625 6.76255 31.9814 80.0396 124.086 -168.049 -55.1171 -21.1004 418.843 PRESSAVG: 4286600 13.1004 -17.7417 -45.314 -17.7416 -0.253302 5.69145 -45.314 5.69143 -3.3825 GPRESSAVG: 4286600 13.2903 -18.1945 -46.5989 -16.8838 0.315877 6.45668 -46.4983 5.82596 -4.02353 TIMING: 4286600 CPU: 13390.1, 0.00309955/step Wall: 13390.1, 0.00309955/step, 0.614228 hours remaining, 235.101562 MB of memory in use. ENERGY: 4286600 3936.3715 20482.7195 14491.5681 250.8578 -203597.9150 2878.0814 0.0000 0.0000 51952.1201 -109606.1965 298.5695 -161558.3167 -109251.5435 298.3907 195.2192 227.1849 761466.8200 3.1549 3.1942 PRESSURE: 4286800 -170.539 33.7201 36.7074 33.7191 62.8496 -88.7079 36.7081 -88.7079 20.5924 GPRESSURE: 4286800 -130.288 -6.77973 39.6287 -26.2242 66.2261 -63.9299 -78.6326 -67.2674 64.8142 PRESSAVG: 4286800 -34.9947 1.53213 -35.3267 1.53216 44.8603 -34.0052 -35.3268 -34.0052 -12.2584 GPRESSAVG: 4286800 -34.8095 0.503365 -35.1858 1.97974 45.0068 -33.2813 -35.7274 -34.5341 -12.1219 TIMING: 4286800 CPU: 13390.7, 0.0031027/step Wall: 13390.7, 0.0031027/step, 0.614679 hours remaining, 235.101562 MB of memory in use. ENERGY: 4286800 3971.5238 20597.8584 14475.9513 248.6769 -203686.6996 3041.2374 0.0000 0.0000 51717.7681 -109633.6837 297.2227 -161351.4518 -109277.9643 298.7589 -29.0322 0.2509 763586.9912 -0.7976 -0.6416 PRESSURE: 4287000 -99.4796 -41.9493 -154.805 -41.949 15.6082 -18.8571 -154.805 -18.8569 -40.1089 GPRESSURE: 4287000 6.77162 28.5669 -57.5032 -26.8362 -1.81357 125.194 -44.2282 -121.317 -44.6548 PRESSAVG: 4287000 -14.4924 -2.50577 -15.1901 -2.50572 35.552 7.73612 -15.1901 7.73611 11.3164 GPRESSAVG: 4287000 -13.7468 -2.12419 -12.7676 -3.32129 34.0379 8.34784 -15.2312 9.02832 11.7582 TIMING: 4287000 CPU: 13391.4, 0.00310464/step Wall: 13391.4, 0.00310464/step, 0.614891 hours remaining, 235.101562 MB of memory in use. ENERGY: 4287000 4031.6703 20457.7596 14418.7847 258.2287 -203564.7371 3056.6682 0.0000 0.0000 51798.8700 -109542.7555 297.6888 -161341.6255 -109181.1392 298.8641 -41.3268 -13.2323 763963.3465 10.7920 10.6831 PRESSURE: 4287200 158.462 -166.459 142.099 -166.459 210.681 -68.1505 142.099 -68.1512 50.7455 GPRESSURE: 4287200 142.938 -55.3881 69.7194 -112.551 292.735 -16.4299 107.906 -150.203 84.1811 PRESSAVG: 4287200 11.0083 -63.4313 2.15761 -63.4313 -26.0334 -22.8282 2.15767 -22.8283 0.168924 GPRESSAVG: 4287200 10.255 -63.782 1.0682 -64.1553 -24.6477 -21.4833 1.249 -22.4896 -0.385476 TIMING: 4287200 CPU: 13392, 0.00311718/step Wall: 13392, 0.00311718/step, 0.617201 hours remaining, 235.101562 MB of memory in use. ENERGY: 4287200 4100.8267 20546.7620 14416.4731 243.5812 -203604.1006 3021.5116 0.0000 0.0000 51774.4989 -109500.4470 297.5488 -161274.9459 -109136.0287 298.8729 139.9628 173.2849 762502.8746 -4.9521 -4.9261 PRESSURE: 4287400 -53.5203 12.4654 8.51001 12.4662 -52.7542 11.1693 8.51009 11.1694 -419.585 GPRESSURE: 4287400 -19.3988 -3.0083 -71.6156 1.13878 -67.0574 52.9044 -32.8511 -26.2955 -363.149 PRESSAVG: 4287400 -39.9896 -46.7124 5.47488 -46.7124 36.4229 -27.596 5.47487 -27.596 0.624967 GPRESSAVG: 4287400 -40.154 -45.745 4.59388 -45.5895 35.9902 -30.8488 5.51748 -27.9451 1.02924 TIMING: 4287400 CPU: 13392.6, 0.00312053/step Wall: 13392.6, 0.00312053/step, 0.617691 hours remaining, 235.101562 MB of memory in use. ENERGY: 4287400 3996.5996 20566.5239 14481.3639 258.2903 -203618.0276 2859.8223 0.0000 0.0000 51985.0337 -109470.3940 298.7587 -161455.4276 -109112.2885 299.1227 -175.2865 -149.8685 763566.9078 -0.9806 -1.0448 PRESSURE: 4287600 -149.74 51.0543 125.045 51.0542 -46.6224 226.845 125.045 226.846 -8.26719 GPRESSURE: 4287600 -33.0092 139.603 218.045 -12.8239 -57.8042 161.361 32.0647 153.679 -47.5662 PRESSAVG: 4287600 12.8361 -82.871 15.916 -82.871 -50.5047 -21.7073 15.916 -21.7073 -3.36853 GPRESSAVG: 4287600 14.783 -81.7341 16.0896 -84.447 -50.4086 -21.7492 15.3304 -21.0197 -5.21707 TIMING: 4287600 CPU: 13393.2, 0.00312327/step Wall: 13393.2, 0.00312327/step, 0.618061 hours remaining, 235.101562 MB of memory in use. ENERGY: 4287600 4008.6662 20644.4480 14352.8954 237.4876 -203124.2838 2628.5703 0.0000 0.0000 51974.6841 -109277.5322 298.6992 -161252.2163 -108917.0779 299.0995 -68.2097 -46.1266 763189.9912 -13.6790 -13.6142 PRESSURE: 4287800 -188.022 -53.2365 -349.581 -53.2369 136.642 -330.957 -349.581 -330.956 505.786 GPRESSURE: 4287800 -103.326 -11.6643 -366.491 64.8801 74.3213 -340.677 -140.787 -301.159 574.515 PRESSAVG: 4287800 -25.4784 -50.1061 -8.80295 -50.1061 54.408 -17.7867 -8.80294 -17.7867 -7.13526 GPRESSAVG: 4287800 -26.1958 -50.7969 -10.6256 -50.524 54.2381 -15.9327 -6.15909 -18.7018 -6.22176 TIMING: 4287800 CPU: 13393.9, 0.00311516/step Wall: 13393.9, 0.00311516/step, 0.616283 hours remaining, 235.101562 MB of memory in use. ENERGY: 4287800 3981.1261 20728.6183 14402.9220 238.2097 -203886.7406 3105.6424 0.0000 0.0000 52155.8029 -109274.4193 299.7401 -161430.2221 -108915.5212 299.7162 151.4686 181.8368 762104.5118 7.2648 7.2735 PRESSURE: 4288000 24.4877 -125.789 0.904939 -125.789 236.189 13.1097 0.905136 13.1112 60.4768 GPRESSURE: 4288000 95.2759 -130.297 -0.920272 -124.796 242.943 128.724 -89.8789 -25.0808 68.5831 PRESSAVG: 4288000 -14.6458 -3.18313 2.60556 -3.1831 53.2212 31.3538 2.60558 31.3538 -7.03248 GPRESSAVG: 4288000 -14.8115 -3.74804 4.54564 -3.11526 53.0524 30.1433 2.66023 31.5072 -6.3875 TIMING: 4288000 CPU: 13394.5, 0.00311701/step Wall: 13394.5, 0.00311701/step, 0.616474 hours remaining, 235.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4288000 4009.6338 20387.6882 14418.9024 277.3293 -203633.7988 3028.3763 0.0000 0.0000 52099.4069 -109412.4617 299.4160 -161511.8687 -109054.0150 299.2890 107.0512 135.6007 764222.6007 10.5143 10.6178 PRESSURE: 4288200 -409.254 8.06076 -253.671 8.06047 -175.508 2.80227 -253.671 2.80167 -514.321 GPRESSURE: 4288200 -452.21 -18.8668 -315.615 -10.6752 -115.599 -84.7371 -181.853 -17.5494 -437.992 PRESSAVG: 4288200 -23.2192 -33.8729 5.78512 -33.8729 16.644 5.15881 5.78509 5.15875 15.3154 GPRESSAVG: 4288200 -22.9074 -33.1465 4.63432 -33.4369 15.6161 6.27771 3.56406 4.15519 15.5874 TIMING: 4288200 CPU: 13395.1, 0.00313567/step Wall: 13395.1, 0.00313567/step, 0.619992 hours remaining, 235.101562 MB of memory in use. ENERGY: 4288200 4018.2653 20528.2297 14406.5917 258.3168 -203058.9712 2492.6160 0.0000 0.0000 51959.9572 -109394.9945 298.6146 -161354.9517 -109028.3951 299.0871 -366.3610 -335.2671 765190.2125 2.9134 2.7654 LDB: ============= START OF LOAD BALANCING ============== 13407.6 LDB: ============== END OF LOAD BALANCING =============== 13407.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13407.6 LDB: ============= START OF LOAD BALANCING ============== 13407.9 LDB: Largest compute 7030 load 0.030981 is 15.9% of average load 0.195245 LDB: Average compute 0.004405 is 2.3% of average load 0.195245 LDB: TIME 13407.9 LOAD: AVG 0.195245 MAX 0.219433 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.059 MB LDB: TIME 13407.9 LOAD: AVG 0.195245 MAX 0.219433 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.262 MB LDB: TIME 13407.9 LOAD: AVG 0.195245 MAX 0.216603 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.262 MB LDB: ============== END OF LOAD BALANCING =============== 13407.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13407.9 PRESSURE: 4288400 244.897 -154.476 -242.645 -154.475 12.4651 282.703 -242.646 282.703 -134.79 GPRESSURE: 4288400 254.384 -145.5 -191.833 -110.563 124.406 281.973 -252.325 207.867 -176.618 PRESSAVG: 4288400 -18.3999 -34.0173 52.0007 -34.0173 69.0126 3.54889 52.0007 3.54886 -7.73603 GPRESSAVG: 4288400 -18.5848 -36.9564 53.5262 -33.4444 70.3298 1.71771 52.8057 5.20357 -9.37245 TIMING: 4288400 CPU: 13395.8, 0.00320791/step Wall: 13395.8, 0.00320791/step, 0.634098 hours remaining, 234.250000 MB of memory in use. ENERGY: 4288400 3981.6069 20517.9987 14473.2118 234.2647 -203229.5198 2577.3779 0.0000 0.0000 51968.9986 -109476.0611 298.6665 -161445.0597 -109117.8814 298.6002 40.8575 67.3905 762989.2446 14.2922 14.1242 PRESSURE: 4288600 132.965 138.155 169.438 138.155 153.929 -151.13 169.438 -151.13 -445.514 GPRESSURE: 4288600 92.38 233.267 124.758 126.248 174.125 -119.468 151.564 -30.828 -341.989 PRESSAVG: 4288600 3.2704 11.1119 13.508 11.1119 27.5925 58.6204 13.5081 58.6204 25.2865 GPRESSAVG: 4288600 3.13281 12.6313 12.7542 8.90488 27.2192 60.4803 12.398 58.9542 26.1379 TIMING: 4288600 CPU: 13396.4, 0.00315062/step Wall: 13396.4, 0.00315062/step, 0.622598 hours remaining, 234.574219 MB of memory in use. ENERGY: 4288600 3965.3736 20504.6180 14457.0369 253.3077 -203181.8417 2576.1364 0.0000 0.0000 51934.9922 -109490.3769 298.4711 -161425.3690 -109125.4336 298.5626 -52.8733 -25.1614 762478.1352 18.7165 18.8299 PRESSURE: 4288800 528.17 40.0392 365.197 40.0399 282.666 -41.6034 365.197 -41.6034 2.77545 GPRESSURE: 4288800 484.846 70.9054 295.683 83.8155 332.609 -56.1911 293.701 -52.5638 83.2858 PRESSAVG: 4288800 -5.5605 18.0021 54.6893 18.0021 30.2586 40.3773 54.6893 40.3773 -20.7565 GPRESSAVG: 4288800 -4.38249 18.5516 52.7794 18.8543 29.621 39.04 57.1125 37.4098 -21.2809 TIMING: 4288800 CPU: 13397, 0.00313098/step Wall: 13397, 0.00313098/step, 0.618543 hours remaining, 234.574219 MB of memory in use. ENERGY: 4288800 3820.5491 20490.7941 14444.3601 239.8635 -203766.8023 2986.4524 0.0000 0.0000 52291.5705 -109493.2127 300.5204 -161784.7832 -109131.2317 299.2611 271.2038 300.2469 763061.5256 1.3139 1.3192 PRESSURE: 4289000 -180.112 49.0923 -182.77 49.092 -208.908 -205.185 -182.77 -205.185 315.144 GPRESSURE: 4289000 -139.751 57.0209 -122.664 115.057 -108.556 -273.187 -116.444 -227.371 268.765 PRESSAVG: 4289000 66.8765 -13.3414 -18.0468 -13.3415 -27.7148 -38.3073 -18.0468 -38.3072 13.9497 GPRESSAVG: 4289000 65.3891 -12.2146 -16.6093 -13.746 -26.1939 -37.2406 -17.661 -36.44 13.1923 TIMING: 4289000 CPU: 13397.6, 0.00314408/step Wall: 13397.6, 0.00314408/step, 0.620956 hours remaining, 234.574219 MB of memory in use. ENERGY: 4289000 4041.4190 20507.1884 14438.1602 226.6204 -203486.6110 2818.1771 0.0000 0.0000 51885.6376 -109569.4083 298.1875 -161455.0459 -109219.5887 298.7610 -24.6254 6.8195 763832.8923 17.7038 17.4625 PRESSURE: 4289200 -453.816 -83.4944 35.0153 -83.4941 -395.528 -38.3846 35.0149 -38.385 -111.044 GPRESSURE: 4289200 -363.869 16.6497 55.5324 -36.2383 -363.274 -99.4051 111.027 -30.7638 -145.869 PRESSAVG: 4289200 2.21385 -7.41007 -10.9974 -7.41008 4.78291 -31.6587 -10.9974 -31.6587 -22.0439 GPRESSAVG: 4289200 2.77896 -7.86934 -9.2532 -7.36419 2.86876 -31.5423 -11.8021 -30.6888 -20.7513 TIMING: 4289200 CPU: 13398.3, 0.00313326/step Wall: 13398.3, 0.00313326/step, 0.618645 hours remaining, 234.574219 MB of memory in use. ENERGY: 4289200 3950.0690 20582.8981 14461.4888 226.3524 -202897.0649 2133.4971 0.0000 0.0000 52007.5021 -109535.2575 298.8878 -161542.7595 -109164.9806 299.2351 -320.1294 -291.0042 763235.6760 -5.0157 -5.0345 PRESSURE: 4289400 392.385 -157.94 -0.33231 -157.94 49.9764 -80.4638 -0.33252 -80.4635 153.466 GPRESSURE: 4289400 350.751 -64.0956 105.403 -206.17 160.184 -42.7693 -54.4026 -74.4373 172.108 PRESSAVG: 4289400 19.6724 -38.0062 -64.3032 -38.0061 16.7853 -7.00063 -64.3032 -7.00067 3.7643 GPRESSAVG: 4289400 20.0345 -38.857 -63.686 -38.5093 17.2694 -7.90428 -64.0243 -7.14007 3.10616 TIMING: 4289400 CPU: 13398.9, 0.00313684/step Wall: 13398.9, 0.00313684/step, 0.619177 hours remaining, 234.585938 MB of memory in use. ENERGY: 4289400 3975.7395 20536.4668 14360.7371 246.3782 -203500.6440 2816.2469 0.0000 0.0000 51979.3520 -109585.7234 298.7261 -161565.0755 -109223.0893 298.9572 198.6089 227.6810 762501.5876 13.4073 13.4700 PRESSURE: 4289600 272.713 -28.4375 -57.2137 -28.4369 -358.183 199.164 -57.2139 199.164 279.921 GPRESSURE: 4289600 225.186 -55.3909 -126.989 -8.48203 -231.077 116.331 -45.1267 130.367 303.002 PRESSAVG: 4289600 62.0972 -55.5736 -25.2457 -55.5736 -51.1907 -30.5079 -25.2457 -30.5079 5.02413 GPRESSAVG: 4289600 62.1329 -55.0864 -27.1486 -55.6425 -50.5371 -30.5025 -26.7243 -31.4124 4.40652 TIMING: 4289600 CPU: 13399.5, 0.00311786/step Wall: 13399.5, 0.00311786/step, 0.615258 hours remaining, 234.585938 MB of memory in use. ENERGY: 4289600 4036.4835 20369.8079 14473.4106 240.1198 -203617.9841 2754.2022 0.0000 0.0000 52071.6672 -109672.2929 299.2566 -161743.9601 -109315.5719 298.5743 64.8172 99.0368 762243.1860 5.3102 5.3341 PRESSURE: 4289800 -51.6494 16.0718 -193.753 16.0703 -166.086 169.39 -193.753 169.388 -257.137 GPRESSURE: 4289800 -120.117 -53.8832 -193.824 -6.10515 -53.5598 198.708 -84.1676 93.022 -200.232 PRESSAVG: 4289800 53.4867 -28.7739 -36.7695 -28.7739 -32.2611 -23.5245 -36.7695 -23.5245 -5.8113 GPRESSAVG: 4289800 53.1265 -29.5295 -36.4495 -28.2784 -31.6192 -23.8583 -35.3478 -24.8665 -5.39644 TIMING: 4289800 CPU: 13400.1, 0.00311612/step Wall: 13400.1, 0.00311612/step, 0.614742 hours remaining, 234.585938 MB of memory in use. ENERGY: 4289800 3977.3133 20393.0606 14441.2862 223.5960 -203369.5028 2654.5934 0.0000 0.0000 52029.1896 -109650.4638 299.0125 -161679.6534 -109278.4500 298.6360 -158.2908 -124.6362 762060.3129 5.1381 5.3703 PRESSURE: 4290000 105.625 -23.4856 230.62 -23.4869 167.193 56.3513 230.62 56.3513 -8.19586 GPRESSURE: 4290000 163.165 -44.1744 206.886 51.5604 100.021 -2.56006 142.847 12.2875 69.0331 PRESSAVG: 4290000 20.9172 -32.1664 -14.3379 -32.1664 -11.5857 -28.2128 -14.3379 -28.2127 13.2016 GPRESSAVG: 4290000 21.3884 -31.4725 -14.105 -31.4816 -12.5338 -26.8379 -13.7864 -27.0493 13.6748 TIMING: 4290000 CPU: 13400.8, 0.00311725/step Wall: 13400.8, 0.00311725/step, 0.614791 hours remaining, 234.585938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4290000 3985.0182 20538.1791 14396.2618 232.9400 -203198.8318 2579.3684 0.0000 0.0000 52166.4973 -109300.5670 299.8016 -161467.0643 -108944.9175 298.8456 88.2076 110.7396 762723.7800 7.5110 7.5098 PRESSURE: 4290200 -75.0928 -90.666 -58.0527 -90.6654 -72.3299 -77.0073 -58.0533 -77.0078 89.801 GPRESSURE: 4290200 17.3702 -31.7096 -47.6406 -172.258 -76.1892 -106.585 -200.205 9.9892 102.117 PRESSAVG: 4290200 -25.9004 -32.1555 -17.8009 -32.1555 68.8347 -101.724 -17.801 -101.724 1.42184 GPRESSAVG: 4290200 -25.1786 -31.7927 -18.1306 -33.841 67.7056 -102.001 -18.2302 -100.673 1.63178 TIMING: 4290200 CPU: 13401.4, 0.00310523/step Wall: 13401.4, 0.00310523/step, 0.612248 hours remaining, 234.585938 MB of memory in use. ENERGY: 4290200 4070.0532 20382.9783 14462.7606 256.9238 -202812.9144 2566.7598 0.0000 0.0000 51817.1910 -109256.2476 297.7941 -161073.4386 -108912.1021 299.3240 -19.2072 14.4327 762215.8843 14.7854 14.7196 PRESSURE: 4290400 -450.014 -79.4599 85.3988 -79.4603 157.683 107.197 85.3989 107.198 162.772 GPRESSURE: 4290400 -350.496 -67.3046 -6.73995 -31.2278 194.496 85.7481 10.3527 118.757 106.489 PRESSAVG: 4290400 -57.3123 -51.4247 -23.1808 -51.4247 73.749 -60.0924 -23.1809 -60.0925 20.0734 GPRESSAVG: 4290400 -58.7408 -52.797 -23.3299 -49.6481 74.5129 -62.2099 -25.4682 -59.4836 20.0906 TIMING: 4290400 CPU: 13402, 0.00310493/step Wall: 13402, 0.00310492/step, 0.612015 hours remaining, 234.585938 MB of memory in use. ENERGY: 4290400 3999.2634 20398.4295 14455.3434 270.8711 -203332.7378 2785.2866 0.0000 0.0000 51821.9023 -109601.6414 297.8212 -161423.5437 -109237.0765 298.7975 -43.1862 -16.5037 761430.8204 12.1700 11.9542 PRESSURE: 4290600 -144.569 -47.9858 308.955 -47.9848 -37.2211 -53.6541 308.955 -53.6533 167.618 GPRESSURE: 4290600 -23.0975 -44.1296 297.785 -95.0192 -42.7679 -9.17817 423.514 -49.0182 143.883 PRESSAVG: 4290600 -82.176 -52.3579 29.9461 -52.3578 80.4463 -17.9202 29.9461 -17.9201 15.0374 GPRESSAVG: 4290600 -82.5722 -49.3899 28.5073 -53.2626 81.7247 -14.7289 33.6366 -20.4447 13.8754 TIMING: 4290600 CPU: 13402.6, 0.00312614/step Wall: 13402.6, 0.00312614/step, 0.616023 hours remaining, 234.585938 MB of memory in use. ENERGY: 4290600 3935.2161 20371.8962 14378.9775 251.2390 -203516.3071 2864.9376 0.0000 0.0000 52251.7408 -109462.2999 300.2915 -161714.0407 -109094.4608 298.6593 -4.7243 26.0060 761608.1886 4.4359 4.3426 PRESSURE: 4290800 -253.545 189.441 -131.355 189.441 11.1637 -43.2835 -131.355 -43.2844 -284.19 GPRESSURE: 4290800 -295.111 135.531 -151.397 188.042 2.59592 -103.878 71.1662 37.4391 -149.803 PRESSAVG: 4290800 4.84714 -0.149845 17.159 -0.149822 59.3616 6.37336 17.159 6.37327 1.6107 GPRESSAVG: 4290800 4.37675 -1.80252 20.8611 -3.02704 58.4576 5.01632 16.4982 8.4382 2.58532 TIMING: 4290800 CPU: 13403.3, 0.0031143/step Wall: 13403.3, 0.0031143/step, 0.613518 hours remaining, 234.585938 MB of memory in use. ENERGY: 4290800 4009.6178 20556.2365 14421.5693 251.2667 -203096.4681 2542.4839 0.0000 0.0000 51745.9442 -109569.3497 297.3847 -161315.2939 -109218.1418 298.8514 -175.5239 -147.4393 762218.3550 21.9398 21.8066 PRESSURE: 4291000 166.155 -111.946 -14.4584 -111.946 281.148 -31.5481 -14.459 -31.5473 -62.0815 GPRESSURE: 4291000 88.7212 -69.8743 -57.2385 -113.648 402.307 -6.38199 20.6953 108.202 -47.4259 PRESSAVG: 4291000 -39.2503 -28.2454 41.2418 -28.2455 48.4371 34.5773 41.2418 34.5773 -17.3372 GPRESSAVG: 4291000 -37.8642 -29.0847 39.2032 -26.1599 48.2798 33.9448 40.433 34.2166 -18.2147 TIMING: 4291000 CPU: 13403.9, 0.00312519/step Wall: 13403.9, 0.00312519/step, 0.615488 hours remaining, 234.585938 MB of memory in use. ENERGY: 4291000 3890.4669 20430.8027 14413.2495 257.0271 -203060.4311 2464.0854 0.0000 0.0000 51995.3403 -109609.4594 298.8179 -161604.7996 -109227.5390 298.2573 128.4072 147.8675 763170.7782 -2.7168 -2.5997 PRESSURE: 4291200 56.0253 -205.981 -17.0716 -205.981 -119.324 3.62476 -17.0714 3.62438 -205.838 GPRESSURE: 4291200 13.3777 -309.703 -16.2181 -193.073 -30.79 -17.147 19.5585 -28.1167 -172.671 PRESSAVG: 4291200 -31.0804 -35.2321 30.9299 -35.2321 26.1074 61.5293 30.9299 61.5292 13.981 GPRESSAVG: 4291200 -32.1873 -34.6913 31.371 -34.4077 26.608 61.0677 29.351 60.8165 14.4111 TIMING: 4291200 CPU: 13404.5, 0.00311743/step Wall: 13404.5, 0.00311743/step, 0.613787 hours remaining, 234.585938 MB of memory in use. ENERGY: 4291200 4054.9148 20364.1148 14339.5489 231.0653 -203196.1278 2581.8597 0.0000 0.0000 52079.7486 -109544.8757 299.3030 -161624.6243 -109184.7614 298.7355 -89.7125 -63.3611 762098.9133 3.0027 2.9439 PRESSURE: 4291400 140.206 87.9917 -40.1845 87.992 12.7661 221.975 -40.185 221.976 -99.2603 GPRESSURE: 4291400 176.52 119.204 -107.515 118.468 -23.1615 315.433 -81.9464 204.786 -19.0016 PRESSAVG: 4291400 -38.2749 -39.3946 63.252 -39.3946 18.603 -47.2615 63.252 -47.2616 0.737992 GPRESSAVG: 4291400 -38.1508 -38.3613 62.2159 -37.2242 18.8572 -44.4454 65.2038 -48.6081 0.399503 TIMING: 4291400 CPU: 13405.1, 0.00314473/step Wall: 13405.1, 0.00314473/step, 0.618987 hours remaining, 234.585938 MB of memory in use. ENERGY: 4291400 3937.5736 20424.4127 14381.4776 245.8609 -203007.4154 2646.5382 0.0000 0.0000 51808.2769 -109563.2755 297.7429 -161371.5523 -109201.1577 298.7979 17.9041 44.7856 762457.7599 -6.3113 -6.2980 PRESSURE: 4291600 -28.3429 -0.338211 -216.696 -0.337953 272.223 -276.381 -216.696 -276.381 127.942 GPRESSURE: 4291600 45.9996 -6.80861 -209.931 -12.1185 259.727 -280.453 -231.762 -279.647 167.527 PRESSAVG: 4291600 -19.6662 1.8084 15.3702 1.80834 8.68841 -17.4825 15.3702 -17.4827 -10.5268 GPRESSAVG: 4291600 -19.1116 -1.13188 16.1784 0.319519 6.74336 -19.1934 15.7415 -16.0989 -9.08605 TIMING: 4291600 CPU: 13405.8, 0.00312086/step Wall: 13405.8, 0.00312086/step, 0.614116 hours remaining, 234.585938 MB of memory in use. ENERGY: 4291600 3906.2621 20364.4260 14427.2217 246.6192 -203408.1276 2686.3541 0.0000 0.0000 52022.4901 -109754.7545 298.9740 -161777.2445 -109390.7530 298.5328 123.9407 157.7512 762394.1570 -7.1682 -7.1514 PRESSURE: 4291800 -338.696 16.7841 -21.2363 16.7828 -188.935 -127.862 -21.237 -127.861 165.378 GPRESSURE: 4291800 -286.885 -14.0589 -38.1229 -69.6637 -170.87 -192.892 43.0334 -272.355 192.228 PRESSAVG: 4291800 -40.1148 -39.4732 -47.1415 -39.4732 42.5713 -1.62682 -47.1415 -1.62686 1.40313 GPRESSAVG: 4291800 -41.4147 -37.3189 -49.3765 -39.8015 44.7819 -0.448053 -47.1422 -2.01763 -0.0832372 TIMING: 4291800 CPU: 13406.4, 0.00312276/step Wall: 13406.4, 0.00312276/step, 0.614316 hours remaining, 234.585938 MB of memory in use. ENERGY: 4291800 3917.3354 20362.5360 14464.1324 249.8295 -203205.3447 2524.9171 0.0000 0.0000 51890.0512 -109796.5431 298.2128 -161686.5943 -109441.1578 298.0910 -120.7507 -88.5089 762385.8641 1.2866 1.0947 PRESSURE: 4292000 -364.755 -193.008 28.1018 -193.009 -116.003 -253.572 28.102 -253.573 360.918 GPRESSURE: 4292000 -294.419 -236.033 68.7955 -184.855 -101.398 -217.509 44.3553 -209.707 338.303 PRESSAVG: 4292000 -49.9289 -23.102 -30.6891 -23.1019 -5.40313 4.85806 -30.689 4.85804 8.91607 GPRESSAVG: 4292000 -50.8611 -23.5907 -30.4328 -23.2461 -6.06021 2.79048 -32.0657 5.74299 9.70052 TIMING: 4292000 CPU: 13407, 0.00310888/step Wall: 13407, 0.00310888/step, 0.611414 hours remaining, 234.585938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4292000 3951.9163 20418.7758 14372.0032 230.9861 -203502.4220 2765.3167 0.0000 0.0000 51746.2998 -110017.1241 297.3867 -161763.4239 -109662.8195 297.1893 -39.9466 -19.1712 761746.2789 -15.4720 -15.7403 PRESSURE: 4292200 -195.072 -102.231 23.0422 -102.231 -234.209 125.717 23.0413 125.715 -303.091 GPRESSURE: 4292200 -185.17 -136.153 124.963 -140.863 -170.048 100.774 -11.0383 -39.3909 -302.333 PRESSAVG: 4292200 -20.5755 -84.8714 -54.7415 -84.8714 -0.84 -9.53046 -54.7415 -9.53046 -3.33213 GPRESSAVG: 4292200 -19.4775 -85.6892 -51.5011 -83.2563 -1.82444 -7.23882 -55.4256 -11.4964 -3.21177 TIMING: 4292200 CPU: 13407.6, 0.0031016/step Wall: 13407.6, 0.0031016/step, 0.60981 hours remaining, 234.585938 MB of memory in use. ENERGY: 4292200 3960.5389 20309.7739 14427.5961 257.5204 -203724.4309 2876.3402 0.0000 0.0000 51891.5729 -110001.0885 298.2216 -161892.6614 -109641.9736 297.3755 -244.1238 -219.1839 761975.0439 -8.2492 -8.1712 LDB: ============= START OF LOAD BALANCING ============== 13420.1 LDB: ============== END OF LOAD BALANCING =============== 13420.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13420.1 LDB: ============= START OF LOAD BALANCING ============== 13420.4 LDB: Largest compute 7007 load 0.029146 is 14.9% of average load 0.195339 LDB: Average compute 0.004392 is 2.2% of average load 0.195339 LDB: TIME 13420.4 LOAD: AVG 0.195339 MAX 0.215731 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.953 MB LDB: TIME 13420.4 LOAD: AVG 0.195339 MAX 0.215731 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.047 MB LDB: TIME 13420.4 LOAD: AVG 0.195339 MAX 0.215731 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.047 MB LDB: ============== END OF LOAD BALANCING =============== 13420.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13420.4 PRESSURE: 4292400 -309 -155.587 -205.335 -155.587 -91.4767 -36.5698 -205.336 -36.5707 -264.423 GPRESSURE: 4292400 -320.776 -202.949 -187.316 -124.166 -26.9956 -15.0188 -125.078 -7.96673 -222.85 PRESSAVG: 4292400 -32.0241 -18.5703 0.568854 -18.5703 11.6501 5.27712 0.568842 5.27711 -5.02885 GPRESSAVG: 4292400 -30.8886 -18.984 -2.16264 -20.2426 11.9394 3.63336 3.57271 7.04499 -6.98639 TIMING: 4292400 CPU: 13408.3, 0.00318906/step Wall: 13408.3, 0.00318906/step, 0.626827 hours remaining, 234.261719 MB of memory in use. ENERGY: 4292400 4004.4828 20666.3685 14325.1543 254.3433 -203472.1016 2725.7763 0.0000 0.0000 51732.0872 -109763.8892 297.3050 -161495.9764 -109410.7614 298.1974 -221.6334 -190.2075 763194.2195 -8.4676 -8.6452 PRESSURE: 4292600 364.287 -77.0096 274.236 -77.009 -165.884 190.498 274.236 190.497 74.6433 GPRESSURE: 4292600 369.594 63.0271 281.842 -78.0936 -110.881 174.999 152.068 40.9216 74.2478 PRESSAVG: 4292600 13.3249 -16.9045 32.4007 -16.9044 12.8179 10.4264 32.4007 10.4263 14.3733 GPRESSAVG: 4292600 13.0289 -14.9153 32.2069 -17.4126 12.061 10.5262 30.5369 9.65848 15.2979 TIMING: 4292600 CPU: 13408.9, 0.00313153/step Wall: 13408.9, 0.00313153/step, 0.615346 hours remaining, 234.320312 MB of memory in use. ENERGY: 4292600 4056.0573 20430.5017 14492.8741 238.3441 -203503.2396 2833.5105 0.0000 0.0000 51904.2156 -109547.7363 298.2942 -161451.9519 -109188.7051 298.9466 91.0154 110.9867 762796.5518 13.5054 13.4626 PRESSURE: 4292800 -8.14151 -56.2433 -14.532 -56.243 170.22 -172.881 -14.5309 -172.882 197.316 GPRESSURE: 4292800 -57.9176 17.7241 56.2929 -6.60943 230.467 -192.94 66.2361 -141.007 276.56 PRESSAVG: 4292800 -26.0151 -9.3947 19.7965 -9.39465 18.5034 -21.197 19.7965 -21.197 11.1534 GPRESSAVG: 4292800 -27.5995 -10.8014 20.7855 -8.70765 18.9847 -21.6503 19.2908 -21.8554 12.1371 TIMING: 4292800 CPU: 13409.5, 0.00312144/step Wall: 13409.5, 0.00312144/step, 0.613189 hours remaining, 234.320312 MB of memory in use. ENERGY: 4292800 3970.6319 20387.0475 14531.2724 282.9007 -203723.4709 2877.4759 0.0000 0.0000 52069.1575 -109604.9850 299.2422 -161674.1425 -109246.8577 298.2455 119.7983 149.7031 762040.2883 1.2139 1.1741 PRESSURE: 4293000 205.405 112.939 -205.176 112.94 344.112 -1.54485 -205.176 -1.54529 308.374 GPRESSURE: 4293000 173.287 92.8242 -141.465 8.98275 427.874 29.0615 -161.486 75.5649 356.066 PRESSAVG: 4293000 -77.7521 -50.2544 3.52443 -50.2543 30.6903 15.9332 3.52441 15.9332 -31.0477 GPRESSAVG: 4293000 -76.9297 -49.8265 2.78006 -50.2372 30.6037 16.2511 3.01963 16.0685 -31.7905 TIMING: 4293000 CPU: 13410.1, 0.00312222/step Wall: 13410.1, 0.00312222/step, 0.613169 hours remaining, 234.320312 MB of memory in use. ENERGY: 4293000 3958.1327 20392.9604 14479.9354 249.7906 -203945.3920 3263.2225 0.0000 0.0000 51916.1919 -109685.1585 298.3631 -161601.3504 -109319.5125 298.8047 285.9636 319.0758 762403.4804 -26.0365 -26.0389 PRESSURE: 4293200 -132.111 -245.205 -199.289 -245.206 200.721 -53.1138 -199.288 -53.1138 -191.205 GPRESSURE: 4293200 -130.425 -214.882 -303.409 -271.457 203.827 -139.436 -71.6879 -101.101 -118.62 PRESSAVG: 4293200 -3.38392 -26.6443 28.5998 -26.6443 45.2501 17.1739 28.5998 17.174 10.0695 GPRESSAVG: 4293200 -3.21135 -24.0208 27.9682 -27.0693 44.1174 16.1885 30.2449 17.5961 10.68 TIMING: 4293200 CPU: 13410.8, 0.00312112/step Wall: 13410.8, 0.00312112/step, 0.61278 hours remaining, 234.320312 MB of memory in use. ENERGY: 4293200 4088.7632 20540.2311 14539.5339 235.5938 -203934.8204 2997.0238 0.0000 0.0000 52038.2464 -109495.4282 299.0645 -161533.6746 -109137.5361 298.5941 -40.8647 -15.0727 762518.2802 17.3119 17.1953 PRESSURE: 4293400 167.364 -217.068 55.3893 -217.068 -208.928 84.964 55.3878 84.9635 -158.154 GPRESSURE: 4293400 167.808 -238.045 58.0039 -172.283 -133.952 186.448 -49.5117 -56.7921 -122.474 PRESSAVG: 4293400 5.83556 -32.6753 21.3435 -32.6753 -29.9803 27.1646 21.3435 27.1646 -10.3519 GPRESSAVG: 4293400 6.7252 -34.369 21.4161 -32.9317 -29.7446 28.4761 20.393 26.6098 -11.2551 TIMING: 4293400 CPU: 13411.4, 0.00311486/step Wall: 13411.4, 0.00311486/step, 0.611378 hours remaining, 234.320312 MB of memory in use. ENERGY: 4293400 4023.1372 20497.8450 14480.5982 241.0893 -203704.1523 2825.6093 0.0000 0.0000 51961.4631 -109674.4102 298.6232 -161635.8733 -109313.9141 298.3619 -66.5726 -29.5393 763250.7838 -11.4989 -11.4248 PRESSURE: 4293600 126.22 43.7179 -11.8088 43.7171 130.627 -122.301 -11.8091 -122.302 119.285 GPRESSURE: 4293600 180.619 89.2676 -23.0395 75.6113 161.933 -159.717 -9.00848 -239.76 101.842 PRESSAVG: 4293600 55.9045 -18.4787 4.15229 -18.4787 -32.5391 5.48488 4.15227 5.48486 5.80225 GPRESSAVG: 4293600 55.5733 -18.1516 4.31104 -18.1562 -31.9826 4.23688 4.69688 6.86722 5.45332 TIMING: 4293600 CPU: 13412, 0.00312347/step Wall: 13412, 0.00312347/step, 0.612895 hours remaining, 234.320312 MB of memory in use. ENERGY: 4293600 3995.1552 20439.2770 14546.4511 242.2504 -203951.3064 3067.6157 0.0000 0.0000 51780.8934 -109879.6636 297.5855 -161660.5570 -109522.3984 298.0635 125.3776 148.1313 761637.8698 9.7226 9.6813 PRESSURE: 4293800 -135.54 167.088 50.0661 167.088 274.591 57.5176 50.0652 57.5177 -185.204 GPRESSURE: 4293800 -82.8401 162.268 8.74211 152.388 265.965 -2.35002 143.095 -6.29453 -135.108 PRESSAVG: 4293800 -33.1684 14.7374 37.7847 14.7374 35.099 46.6761 37.7846 46.6761 -12.6675 GPRESSAVG: 4293800 -33.6555 14.5623 36.013 13.6163 35.0993 47.1789 36.1569 45.656 -12.8284 TIMING: 4293800 CPU: 13412.6, 0.00311198/step Wall: 13412.6, 0.00311198/step, 0.610467 hours remaining, 234.386719 MB of memory in use. ENERGY: 4293800 3974.6902 20483.7365 14555.2609 252.1246 -203647.8870 2723.2823 0.0000 0.0000 51834.8360 -109823.9565 297.8955 -161658.7925 -109455.5239 298.0104 -15.3847 16.0057 762144.4412 -3.5790 -3.7949 PRESSURE: 4294000 -347.246 -180.177 -231.638 -180.177 -148 26.5002 -231.637 26.5004 60.8987 GPRESSURE: 4294000 -355.593 -15.0513 -315.856 -191.941 -105.421 17.7176 -198.35 24.9422 108.786 PRESSAVG: 4294000 -26.5849 -43.4337 20.0998 -43.4337 11.7966 -17.0155 20.0998 -17.0156 16.9434 GPRESSAVG: 4294000 -26.0476 -44.4072 21.7778 -42.5715 11.1635 -15.0987 21.2325 -17.0756 17.1374 TIMING: 4294000 CPU: 13413.3, 0.00313262/step Wall: 13413.3, 0.00313262/step, 0.614342 hours remaining, 234.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4294000 4038.0735 20356.3250 14488.0301 246.6997 -203321.3154 2655.9757 0.0000 0.0000 51909.3533 -109626.8583 298.3238 -161536.2116 -109265.6164 297.8761 -144.7825 -117.4094 762574.9601 0.7183 0.7511 PRESSURE: 4294200 24.9508 -120.706 116.039 -120.707 -141.687 -120.735 116.039 -120.735 52.3474 GPRESSURE: 4294200 23.3492 -201.978 157.223 -72.1867 -88.8707 -120.636 130.612 -131.795 83.8854 PRESSAVG: 4294200 45.7399 -34.5929 -44.4391 -34.5929 -45.2603 18.5147 -44.4392 18.5148 -12.7726 GPRESSAVG: 4294200 47.342 -33.5159 -43.3236 -33.8273 -46.0932 16.3296 -45.3608 18.9947 -13.7451 TIMING: 4294200 CPU: 13413.9, 0.0031201/step Wall: 13413.9, 0.0031201/step, 0.611714 hours remaining, 234.386719 MB of memory in use. ENERGY: 4294200 4000.1646 20539.2543 14455.1144 243.2374 -203254.6421 2649.5312 0.0000 0.0000 51922.8498 -109444.4904 298.4013 -161367.3402 -109083.3065 298.6923 -21.4631 6.1213 761449.6533 -4.0976 -4.1654 PRESSURE: 4294400 -173.724 -44.6872 55.193 -44.6877 -58.2995 139.029 55.1932 139.03 -98.9672 GPRESSURE: 4294400 -74.0758 67.3856 80.3122 -103.84 -77.1774 186.278 81.3179 98.2782 -96.7493 PRESSAVG: 4294400 4.95381 24.4887 19.0615 24.4887 -5.06541 -27.8618 19.0616 -27.8618 21.7307 GPRESSAVG: 4294400 4.47152 25.0782 18.0729 23.4055 -4.76369 -25.794 20.4743 -29.2496 22.7303 TIMING: 4294400 CPU: 13414.5, 0.00314578/step Wall: 13414.5, 0.00314578/step, 0.616573 hours remaining, 234.386719 MB of memory in use. ENERGY: 4294400 4021.8569 20468.9974 14487.5005 242.8454 -203011.0903 2420.7222 0.0000 0.0000 51886.0664 -109483.1015 298.1899 -161369.1679 -109128.9943 298.3334 -110.3304 -82.6675 761980.5049 7.2064 7.4794 PRESSURE: 4294600 -57.9732 75.1018 20.0391 75.1018 -154 83.3973 20.0396 83.3973 -102.592 GPRESSURE: 4294600 -81.9781 21.4174 37.2117 78.3283 -20.8691 36.0592 -35.2973 119.162 -107.091 PRESSAVG: 4294600 -21.5474 18.3025 0.706228 18.3024 47.1585 12.5753 0.706179 12.5753 -21.4342 GPRESSAVG: 4294600 -21.9751 16.4858 1.05178 20.1127 48.5592 11.5986 -0.162332 14.0378 -22.1536 TIMING: 4294600 CPU: 13415.1, 0.00312447/step Wall: 13415.1, 0.00312447/step, 0.612223 hours remaining, 234.386719 MB of memory in use. ENERGY: 4294600 3975.2442 20578.8345 14493.8669 254.9028 -203264.3893 2567.1343 0.0000 0.0000 51972.3388 -109422.0679 298.6857 -161394.4067 -109068.3353 298.6265 -104.8551 -69.9793 762184.2687 1.3923 1.4768 PRESSURE: 4294800 428.68 162.847 254.354 162.847 101.21 39.9685 254.353 39.9687 104.261 GPRESSURE: 4294800 392.631 99.2413 205.018 190.981 229.048 -49.6334 219.481 52.0635 102.872 PRESSAVG: 4294800 -10.8959 29.3797 -10.4269 29.3796 -15.3544 -3.57959 -10.4269 -3.5796 -12.4665 GPRESSAVG: 4294800 -11.2791 31.5737 -10.4171 26.8885 -15.0416 -4.75796 -9.59538 -2.24916 -12.7454 TIMING: 4294800 CPU: 13415.8, 0.00313318/step Wall: 13415.8, 0.00313318/step, 0.613755 hours remaining, 234.386719 MB of memory in use. ENERGY: 4294800 3973.8185 20411.1239 14442.4122 244.7218 -203588.6987 2916.5950 0.0000 0.0000 52110.5448 -109489.4825 299.4800 -161600.0272 -109123.3194 298.5487 211.3837 241.5167 760804.0546 -12.9056 -13.0220 PRESSURE: 4295000 49.7619 10.6435 127.151 10.6431 253.563 115.438 127.151 115.438 336.236 GPRESSURE: 4295000 135.73 58.9247 185.75 -37.4801 223.829 55.8956 4.02153 135.515 390.487 PRESSAVG: 4295000 -56.1405 -4.0756 11.4433 -4.07557 67.2549 -19.8249 11.4434 -19.825 26.9093 GPRESSAVG: 4295000 -55.3736 -5.2057 13.2367 -2.08565 66.2747 -20.0327 9.96531 -20.3032 27.5849 TIMING: 4295000 CPU: 13416.4, 0.00313185/step Wall: 13416.4, 0.00313185/step, 0.61332 hours remaining, 234.386719 MB of memory in use. ENERGY: 4295000 4054.5098 20354.5698 14499.1514 238.8526 -203474.9569 2874.2197 0.0000 0.0000 52043.4448 -109410.2089 299.0944 -161453.6537 -109050.6547 298.1622 213.1870 250.0151 760980.6263 12.6746 12.8287 PRESSURE: 4295200 -408.373 -259.93 -83.7386 -259.931 -473.05 63.6785 -83.7379 63.6796 -324.587 GPRESSURE: 4295200 -413.495 -201.382 -91.2769 -296.252 -345.953 68.4204 -122.257 59.0733 -359.238 PRESSAVG: 4295200 -0.153604 -70.2256 13.2568 -70.2256 -27.3616 21.9876 13.2568 21.9877 -8.70561 GPRESSAVG: 4295200 0.271546 -68.2644 10.2094 -69.3861 -26.6198 23.5565 14.9753 21.6906 -9.65382 TIMING: 4295200 CPU: 13417, 0.00315847/step Wall: 13417, 0.00315847/step, 0.618358 hours remaining, 234.386719 MB of memory in use. ENERGY: 4295200 3988.6376 20468.4653 14509.5820 253.2631 -202710.6191 2384.5692 0.0000 0.0000 51810.5252 -109295.5766 297.7558 -161106.1018 -108936.2572 298.7851 -402.0033 -372.8954 762022.0373 -12.0736 -12.0007 PRESSURE: 4295400 415.347 -127.814 -47.9195 -127.813 358.394 21.6658 -47.9197 21.6651 248.74 GPRESSURE: 4295400 476.143 -105.788 -11.8017 -157.052 381.124 -11.1052 -118.926 114.475 250.796 PRESSAVG: 4295400 21.095 -47.9406 -32.3456 -47.9406 -29.8814 -38.3048 -32.3456 -38.3048 -4.76285 GPRESSAVG: 4295400 20.4853 -48.8965 -30.1913 -49.4336 -30.6581 -39.0687 -32.6488 -38.3613 -3.77873 TIMING: 4295400 CPU: 13417.6, 0.00315323/step Wall: 13417.6, 0.00315323/step, 0.617157 hours remaining, 234.386719 MB of memory in use. ENERGY: 4295400 4010.9162 20615.2856 14443.4493 242.4507 -203694.7811 3052.1727 0.0000 0.0000 52020.7194 -109309.7871 298.9638 -161330.5065 -108956.5630 299.0448 340.8271 369.3542 760691.1428 -4.5164 -4.6505 PRESSURE: 4295600 -91.924 108.877 -32.3462 108.877 -315.646 216.749 -32.345 216.75 -21.9636 GPRESSURE: 4295600 -27.377 170.397 48.0338 150.265 -203.143 140.216 -9.37103 192.139 -88.1605 PRESSAVG: 4295600 -13.4614 -47.4162 18.8923 -47.4162 43.7864 -15.301 18.8922 -15.3009 23.1755 GPRESSAVG: 4295600 -13.5057 -48.0164 16.6682 -45.8997 44.5958 -14.7461 19.1516 -16.0837 22.2141 TIMING: 4295600 CPU: 13418.3, 0.00315003/step Wall: 13418.3, 0.00315003/step, 0.616356 hours remaining, 234.386719 MB of memory in use. ENERGY: 4295600 4044.0633 20383.8589 14447.5499 242.8510 -202821.3233 2486.9671 0.0000 0.0000 51994.8198 -109221.2134 298.8149 -161216.0332 -108865.8755 299.1842 -143.1777 -106.2268 762697.0127 17.8335 17.7681 PRESSURE: 4295800 -190.852 139.461 45.8937 139.461 36.9989 144.39 45.8939 144.39 -81.0729 GPRESSURE: 4295800 -63.3675 111.287 -26.0229 190.561 -7.22689 218.115 105.375 103.231 -59.1476 PRESSAVG: 4295800 12.6645 3.87433 -23.8998 3.87435 -44.1457 51.6287 -23.8997 51.6286 2.12124 GPRESSAVG: 4295800 12.0841 6.28478 -23.8079 2.92185 -44.4269 50.6832 -24.7161 51.1507 2.90761 TIMING: 4295800 CPU: 13418.9, 0.00314165/step Wall: 13418.9, 0.00314165/step, 0.614543 hours remaining, 234.386719 MB of memory in use. ENERGY: 4295800 3932.6336 20379.3297 14509.7041 217.0191 -202834.5472 2506.2198 0.0000 0.0000 52144.5007 -109145.1403 299.6752 -161289.6409 -108782.7017 298.6836 -78.3086 -43.2473 761865.2917 -9.7866 -9.8117 PRESSURE: 4296000 -94.1896 -8.44952 -214.639 -8.44831 -370.442 -143.187 -214.639 -143.187 -429.769 GPRESSURE: 4296000 -100.94 -67.056 -216.42 -41.2241 -236.025 -183.31 -205.486 -67.6521 -475.125 PRESSAVG: 4296000 -35.9304 -3.28966 -9.31528 -3.28966 -10.4326 64.2701 -9.31527 64.2701 17.1963 GPRESSAVG: 4296000 -36.279 -7.4767 -7.79849 -3.39075 -9.34952 65.1892 -8.54854 64.584 16.8532 TIMING: 4296000 CPU: 13419.5, 0.00312764/step Wall: 13419.5, 0.00312764/step, 0.611628 hours remaining, 234.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4296000 4010.2344 20404.9586 14487.5532 248.7463 -202778.7461 2378.6067 0.0000 0.0000 52036.5178 -109212.1291 299.0546 -161248.6469 -108861.7330 299.5702 -298.1336 -270.6968 760503.7373 -9.7222 -9.5918 PRESSURE: 4296200 235.484 -67.7653 -127.972 -67.7651 -172.986 -313.097 -127.971 -313.097 126.26 GPRESSURE: 4296200 272.152 39.0024 -29.7194 37.991 -76.4582 -245.456 -67.4582 -175.299 78.6482 PRESSAVG: 4296200 13.0599 18.9294 2.12353 18.9294 8.05852 38.1094 2.12355 38.1093 -7.81197 GPRESSAVG: 4296200 12.902 21.0194 0.799392 18.3946 9.2296 38.5359 1.60852 38.4735 -8.48548 TIMING: 4296200 CPU: 13420.2, 0.00312347/step Wall: 13420.2, 0.00312347/step, 0.610638 hours remaining, 234.386719 MB of memory in use. ENERGY: 4296200 4015.9131 20299.8607 14417.2788 262.9773 -203356.0524 2868.6716 0.0000 0.0000 52347.3662 -109143.9848 300.8410 -161491.3510 -108779.3244 299.6578 62.9192 91.4472 762747.5912 4.4355 4.5487 LDB: ============= START OF LOAD BALANCING ============== 13432.6 LDB: ============== END OF LOAD BALANCING =============== 13432.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13432.6 LDB: ============= START OF LOAD BALANCING ============== 13432.9 LDB: Largest compute 7030 load 0.031532 is 16.1% of average load 0.195317 LDB: Average compute 0.004387 is 2.2% of average load 0.195317 LDB: TIME 13432.9 LOAD: AVG 0.195317 MAX 0.216828 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.156 MB LDB: TIME 13433 LOAD: AVG 0.195317 MAX 0.216828 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.355 MB LDB: TIME 13433 LOAD: AVG 0.195317 MAX 0.216828 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.355 MB LDB: ============== END OF LOAD BALANCING =============== 13433 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13433 PRESSURE: 4296400 106.051 -213.292 211.373 -213.292 -77.3573 176.648 211.374 176.647 -281.341 GPRESSURE: 4296400 75.5403 -229.755 147.458 -58.8883 5.30496 167.706 174.515 20.6704 -253.44 PRESSAVG: 4296400 45.5713 -3.26774 14.7374 -3.26776 -36.8504 25.5701 14.7374 25.5702 -21.775 GPRESSAVG: 4296400 45.3136 -3.11786 14.8205 -2.06754 -38.8784 23.9556 16.3852 25.0687 -19.4507 TIMING: 4296400 CPU: 13420.8, 0.00317958/step Wall: 13420.8, 0.00317957/step, 0.62143 hours remaining, 234.828125 MB of memory in use. ENERGY: 4296400 3978.9712 20555.2088 14489.4517 250.0301 -202866.2818 2463.0361 0.0000 0.0000 52029.2655 -109100.3183 299.0129 -161129.5838 -108748.2146 299.4296 -84.2158 -57.5316 762669.6011 -4.3514 -4.3385 PRESSURE: 4296600 -88.5269 217.82 -170.892 217.819 -337.399 9.13564 -170.892 9.13535 -539.054 GPRESSURE: 4296600 -115.638 59.122 -148.708 68.6187 -275.705 62.8225 -185.819 -78.2278 -505.733 PRESSAVG: 4296600 44.4665 16.736 41.1291 16.736 -44.3221 -15.4937 41.129 -15.4936 -7.84982 GPRESSAVG: 4296600 44.4239 16.9174 41.4581 15.2323 -43.35 -13.8079 37.7777 -14.6569 -9.05933 TIMING: 4296600 CPU: 13421.4, 0.00310532/step Wall: 13421.4, 0.00310532/step, 0.606744 hours remaining, 235.031250 MB of memory in use. ENERGY: 4296600 4029.0374 20593.3542 14490.6801 254.0902 -202959.7979 2500.6897 0.0000 0.0000 51955.8044 -109136.1418 298.5907 -161091.9462 -108771.3892 300.0199 -321.6600 -299.0255 763110.8210 -2.5685 -2.6618 PRESSURE: 4296800 235.682 -26.5056 -129.676 -26.5058 -33.7362 -383.77 -129.676 -383.77 -153.742 GPRESSURE: 4296800 277.189 -43.2075 -8.52988 21.5333 -65.3859 -318.694 -199.699 -409.71 -86.2714 PRESSAVG: 4296800 36.2787 -84.0788 -60.0201 -84.0787 -42.0902 -18.2069 -60.0201 -18.2069 20.4482 GPRESSAVG: 4296800 37.5628 -85.7039 -59.405 -83.4977 -43.8632 -20.083 -57.0327 -18.3129 21.4266 TIMING: 4296800 CPU: 13422, 0.00311051/step Wall: 13422, 0.00311051/step, 0.607587 hours remaining, 235.031250 MB of memory in use. ENERGY: 4296800 4039.5828 20590.6543 14472.8033 227.8317 -203170.8702 2676.6306 0.0000 0.0000 51914.7609 -109248.6065 298.3548 -161163.3673 -108874.0637 299.1829 16.0678 41.8439 761041.8688 4.8789 5.0421 PRESSURE: 4297000 330.287 -108.278 -214.193 -108.278 78.8519 90.301 -214.193 90.3005 50.0848 GPRESSURE: 4297000 393.551 45.6044 -151.437 -64.8959 144.609 202.4 -214.041 9.79881 -3.27379 PRESSAVG: 4297000 71.1593 -37.6067 -35.3281 -37.6067 -89.5716 -27.599 -35.3281 -27.5991 -5.08829 GPRESSAVG: 4297000 71.6298 -35.1183 -35.2768 -39.5585 -88.2322 -25.1511 -36.6191 -26.4118 -6.43779 TIMING: 4297000 CPU: 13422.7, 0.00310384/step Wall: 13422.7, 0.00310384/step, 0.606111 hours remaining, 235.031250 MB of memory in use. ENERGY: 4297000 3916.9264 20652.0970 14455.2516 245.1503 -203245.7053 2677.3292 0.0000 0.0000 52030.6670 -109268.2838 299.0210 -161298.9508 -108905.2202 299.6349 153.0746 178.2955 760747.2389 -7.8335 -7.6801 PRESSURE: 4297200 34.5489 -286.312 70.3018 -286.311 69.3887 -53.4307 70.3018 -53.4294 128.086 GPRESSURE: 4297200 58.2943 -159.612 90.796 -243.881 101.153 -40.7059 96.5752 -145.74 152.002 PRESSAVG: 4297200 88.1241 -33.3583 22.075 -33.3582 -103.154 -40.0114 22.075 -40.0114 10.5842 GPRESSAVG: 4297200 87.379 -35.2749 21.5141 -32.3165 -103.834 -42.5083 23.2534 -41.6005 11.3801 TIMING: 4297200 CPU: 13423.3, 0.00311748/step Wall: 13423.3, 0.00311748/step, 0.6086 hours remaining, 235.031250 MB of memory in use. ENERGY: 4297200 3937.1146 20466.7969 14353.5644 246.5229 -203329.7312 2782.0553 0.0000 0.0000 52195.6661 -109348.0110 299.9692 -161543.6771 -108974.6370 299.0521 77.3413 103.8163 762517.5213 -1.4820 -1.6915 PRESSURE: 4297400 107.991 196.091 -49.8906 196.091 -375.352 -111.577 -49.8909 -111.578 92.8583 GPRESSURE: 4297400 87.0275 114.315 -91.7465 321.258 -329.3 -233.576 -65.863 -11.0877 151.971 PRESSAVG: 4297400 29.9678 -5.03242 -18.0384 -5.03244 30.5758 -22.1862 -18.0383 -22.1863 -20.0434 GPRESSAVG: 4297400 29.4459 -5.50265 -18.9759 -4.57547 31.0658 -20.0654 -19.4499 -22.388 -19.4068 TIMING: 4297400 CPU: 13423.9, 0.00312103/step Wall: 13423.9, 0.00312103/step, 0.609121 hours remaining, 235.031250 MB of memory in use. ENERGY: 4297400 3966.4295 20583.0171 14462.3409 247.1379 -202906.5459 2325.6773 0.0000 0.0000 52220.9744 -109100.9689 300.1147 -161321.9433 -108739.6797 299.3247 -58.1676 -30.1007 763672.3489 13.5001 13.7016 PRESSURE: 4297600 60.0543 -13.222 -47.6668 -13.2214 82.6936 -150.938 -47.6665 -150.938 -307.049 GPRESSURE: 4297600 167.442 -53.1241 -24.9907 -25.8361 58.6986 -87.3256 -38.0268 -117.227 -297.297 PRESSAVG: 4297600 -31.1796 -6.4395 17.3494 -6.43953 29.5221 -58.2903 17.3494 -58.2903 17.2812 GPRESSAVG: 4297600 -30.7319 -4.06819 19.3735 -7.85967 29.6811 -57.6804 16.1845 -58.9497 16.8556 TIMING: 4297600 CPU: 13424.5, 0.00310823/step Wall: 13424.5, 0.00310823/step, 0.60645 hours remaining, 235.031250 MB of memory in use. ENERGY: 4297600 3919.9145 20491.6773 14422.2002 250.8724 -202905.7608 2599.0647 0.0000 0.0000 52214.3367 -109007.6951 300.0765 -161222.0317 -108640.1941 299.4315 -54.7669 -23.7187 761295.7309 5.2079 5.2682 PRESSURE: 4297800 -15.9609 80.5648 56.5236 80.5651 -56.4207 189.223 56.523 189.222 -39.428 GPRESSURE: 4297800 12.299 195.429 38.9276 47.9832 -50.7591 210.134 -64.7342 196.225 11.5877 PRESSAVG: 4297800 19.7482 -12.2362 28.3397 -12.2361 -27.762 -19.3943 28.3396 -19.3943 -10.8247 GPRESSAVG: 4297800 20.8105 -13.3053 27.1446 -11.6705 -28.6707 -21.9873 31.652 -18.5724 -10.9537 TIMING: 4297800 CPU: 13425.1, 0.00311275/step Wall: 13425.1, 0.00311274/step, 0.607158 hours remaining, 235.031250 MB of memory in use. ENERGY: 4297800 3940.8372 20474.3132 14519.2418 265.0456 -202986.3297 2733.7127 0.0000 0.0000 52063.2424 -108989.9368 299.2082 -161053.1792 -108621.8159 299.8626 -37.2699 -8.9575 761659.5335 -6.2795 -6.2713 PRESSURE: 4298000 44.8436 63.109 -120.399 63.1093 -150.474 102.316 -120.399 102.315 -397.55 GPRESSURE: 4298000 -52.7506 -39.6301 -75.5727 18.4191 -45.8534 47.5224 -119.502 -2.19324 -322.535 PRESSAVG: 4298000 -16.9646 31.8748 -4.36074 31.8747 -6.6408 31.5987 -4.36076 31.5987 9.297 GPRESSAVG: 4298000 -18.0782 31.1492 -4.51014 32.7538 -5.81367 31.5628 -5.67561 32.1397 9.67465 TIMING: 4298000 CPU: 13425.8, 0.00310475/step Wall: 13425.8, 0.00310475/step, 0.605426 hours remaining, 235.031250 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: 4298000 3913.5771 20439.4966 14468.1227 242.6337 -203071.8454 2612.1849 0.0000 0.0000 52428.8588 -108966.9716 301.3094 -161395.8304 -108596.3596 299.6313 -167.7269 -140.3798 763410.6286 -4.7695 -4.7391 PRESSURE: 4298200 -323.014 30.2775 79.8836 30.2768 10.841 87.1723 79.8837 87.1715 19.415 GPRESSURE: 4298200 -213.449 159.444 67.4436 106.499 65.572 80.1206 177.07 90.3218 -58.8727 PRESSAVG: 4298200 11.5671 33.714 23.048 33.714 32.4367 -5.04056 23.0479 -5.04061 18.7188 GPRESSAVG: 4298200 13.2837 35.6551 22.1788 30.9683 32.4996 -4.0825 22.6241 -6.0875 16.7712 TIMING: 4298200 CPU: 13426.4, 0.00312285/step Wall: 13426.4, 0.00312285/step, 0.608782 hours remaining, 235.031250 MB of memory in use. ENERGY: 4298200 4027.9657 20404.7009 14465.2391 244.5906 -202786.8314 2342.9023 0.0000 0.0000 52148.8345 -109152.5983 299.7001 -161301.4328 -108779.4377 299.6540 -97.5859 -68.9167 761762.8641 20.9075 20.8515 PRESSURE: 4298400 142.175 -98.9543 41.6419 -98.9537 340.606 21.2532 41.6427 21.2534 155.659 GPRESSURE: 4298400 164.853 9.32083 38.1714 -90.4078 321.038 -105.751 49.6033 66.6043 237.997 PRESSAVG: 4298400 24.3561 -14.1639 18.0793 -14.1639 12.4987 -56.2571 18.0794 -56.2571 3.33016 GPRESSAVG: 4298400 22.9238 -14.2056 18.9512 -14.4532 11.7547 -55.5226 18.8799 -57.4962 5.96123 TIMING: 4298400 CPU: 13427, 0.00314344/step Wall: 13427, 0.00314344/step, 0.612622 hours remaining, 235.031250 MB of memory in use. ENERGY: 4298400 4057.1372 20553.0483 14505.9589 226.6149 -203026.5334 2739.1602 0.0000 0.0000 52262.6958 -108681.9180 300.3544 -160944.6139 -108314.7778 300.3465 212.8134 241.2961 760950.4755 13.3950 13.5466 PRESSURE: 4298600 -241.876 -41.1624 111.564 -41.163 -112.654 55.1942 111.564 55.1944 -354.323 GPRESSURE: 4298600 -212.934 -117.454 89.1615 -78.6402 -84.8178 123.331 72.4903 -5.22227 -333.202 PRESSAVG: 4298600 17.5781 24.1107 -4.9878 24.1107 7.82435 -36.5679 -4.98783 -36.5678 2.09773 GPRESSAVG: 4298600 17.294 22.7656 -4.32754 24.9758 7.84893 -35.4041 -4.38811 -37.6757 2.06963 TIMING: 4298600 CPU: 13427.6, 0.00312276/step Wall: 13427.6, 0.00312276/step, 0.608417 hours remaining, 235.031250 MB of memory in use. ENERGY: 4298600 4001.2055 20574.4301 14518.9554 247.5181 -202637.6720 2302.1261 0.0000 0.0000 52456.5633 -108536.8734 301.4686 -160993.4368 -108176.7868 300.9670 -236.2841 -210.3180 762736.8526 9.1667 9.0708 PRESSURE: 4298800 139.372 189.122 -13.8064 189.123 -0.609115 -182.508 -13.807 -182.508 38.797 GPRESSURE: 4298800 158.5 242.429 -38.348 106.862 103.713 -167.604 136.332 -137.942 2.07686 PRESSAVG: 4298800 25.9369 38.4451 -17.4994 38.4451 -27.2726 27.8484 -17.4994 27.8484 5.0452 GPRESSAVG: 4298800 25.557 38.9286 -17.9813 37.4074 -26.1978 27.4092 -19.3482 29.0546 4.15129 TIMING: 4298800 CPU: 13428.3, 0.00313203/step Wall: 13428.3, 0.00313203/step, 0.610051 hours remaining, 235.031250 MB of memory in use. ENERGY: 4298800 3926.3129 20552.9723 14456.1417 257.2630 -202902.8261 2603.1658 0.0000 0.0000 52330.8380 -108776.1323 300.7460 -161106.9704 -108414.1731 300.4726 59.1867 88.0967 762241.6995 1.2365 1.1702 PRESSURE: 4299000 -313.789 -95.6298 165.507 -95.6302 -76.3718 -11.3578 165.508 -11.3584 155.536 GPRESSURE: 4299000 -309.994 43.2145 170.143 -141.764 -81.7539 -16.3851 261.024 -3.84415 247.593 PRESSAVG: 4299000 26.3238 -6.50412 26.2658 -6.504 11.3156 -20.6347 26.2659 -20.6347 7.65115 GPRESSAVG: 4299000 26.8613 -7.07606 26.7387 -4.62219 11.4083 -22.3233 28.0893 -18.1324 6.89022 TIMING: 4299000 CPU: 13428.9, 0.00314486/step Wall: 13428.9, 0.00314486/step, 0.612375 hours remaining, 235.031250 MB of memory in use. ENERGY: 4299000 4060.3018 20620.6275 14488.9743 265.9877 -202815.3042 2628.3828 0.0000 0.0000 52090.6507 -108660.3794 299.3657 -160751.0301 -108299.7158 300.5648 -78.2083 -48.0515 764435.8295 15.0969 15.0533 PRESSURE: 4299200 -209.675 151.658 -35.7657 151.658 150.581 -39.2315 -35.7656 -39.2315 6.24874 GPRESSURE: 4299200 -250.683 83.8106 -104.141 10.7733 237.139 -39.1744 -33.5936 11.5498 45.635 PRESSAVG: 4299200 -29.4615 -4.88745 36.3968 -4.88746 38.7643 -15.1805 36.3967 -15.1804 -12.2309 GPRESSAVG: 4299200 -29.8362 -7.93325 34.8423 -5.17917 37.6519 -14.7051 37.6506 -14.9029 -11.0553 TIMING: 4299200 CPU: 13429.5, 0.00313523/step Wall: 13429.5, 0.00313523/step, 0.610325 hours remaining, 235.031250 MB of memory in use. ENERGY: 4299200 4028.4559 20523.1270 14537.7036 248.9831 -203253.9519 2925.6161 0.0000 0.0000 52226.7782 -108763.2880 300.1480 -160990.0661 -108398.7031 300.2677 -17.6151 10.6968 761872.1115 -0.9760 -1.0799 PRESSURE: 4299400 -67.8477 36.2791 301.967 36.2799 142.576 -591.995 301.966 -591.994 -12.0133 GPRESSURE: 4299400 -35.6401 73.1989 314.554 127.384 117.688 -495.388 270.164 -631.886 65.0698 PRESSAVG: 4299400 -100.164 35.7165 3.16392 35.7165 122.497 14.0748 3.16394 14.0748 10.3813 GPRESSAVG: 4299400 -99.7995 38.8307 4.56193 35.2962 123.205 14.968 1.44075 13.7012 8.78656 TIMING: 4299400 CPU: 13430.2, 0.00313206/step Wall: 13430.2, 0.00313206/step, 0.609533 hours remaining, 235.031250 MB of memory in use. ENERGY: 4299400 3991.9102 20602.2319 14436.5414 227.7924 -203316.3736 2884.1697 0.0000 0.0000 52239.8520 -108933.8760 300.2231 -161173.7281 -108576.5042 299.4847 20.9050 49.0392 762904.9395 10.9050 10.7308 PRESSURE: 4299600 266.965 193.047 -151.093 193.047 200.953 260.658 -151.093 260.658 -283.156 GPRESSURE: 4299600 144.686 295.635 -143.893 198.893 265.279 247.17 -165.512 285.49 -146.307 PRESSAVG: 4299600 -1.33197 15.2844 -46.5514 15.2845 31.7912 23.5103 -46.5514 23.5103 -8.60436 GPRESSAVG: 4299600 -2.91158 12.8611 -46.7707 17.2278 32.5553 22.914 -45.1623 24.0316 -7.83186 TIMING: 4299600 CPU: 13430.8, 0.00312324/step Wall: 13430.8, 0.00312324/step, 0.607644 hours remaining, 235.031250 MB of memory in use. ENERGY: 4299600 4020.7684 20598.2265 14504.8831 246.2975 -203210.3043 2700.5386 0.0000 0.0000 51823.9193 -109315.6708 297.8328 -161139.5901 -108949.6905 299.2340 61.5869 87.8863 762093.8275 7.2850 7.2706 PRESSURE: 4299800 8.66742 116.469 -198.274 116.469 -252.025 46.5268 -198.274 46.5255 -139.998 GPRESSURE: 4299800 39.0659 49.2049 -205.131 41.2431 -221.068 -29.0023 -262.061 57.8583 -122.406 PRESSAVG: 4299800 -14.8345 5.7756 -29.1396 5.77558 51.2317 17.0148 -29.1395 17.0148 0.910854 GPRESSAVG: 4299800 -14.7426 7.89082 -29.3012 3.19659 50.3554 16.7864 -31.0263 14.3875 1.45748 TIMING: 4299800 CPU: 13431.4, 0.00311673/step Wall: 13431.4, 0.00311673/step, 0.606204 hours remaining, 235.031250 MB of memory in use. ENERGY: 4299800 4033.5186 20422.4533 14404.0159 247.1065 -203372.0363 2734.4356 0.0000 0.0000 52303.1084 -109227.3981 300.5867 -161530.5065 -108863.4042 298.8517 -127.7850 -101.4693 762148.7867 12.4360 12.3568 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 4300000 WRITING COORDINATES TO RESTART FILE AT STEP 4300000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4300000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4300000 -433.773 -16.0313 200.161 -16.0318 215.121 -179.002 200.162 -179.003 -316.858 GPRESSURE: 4300000 -230.828 -74.4278 109.141 143.596 72.0639 -179.704 123.444 -146.006 -293.409 PRESSAVG: 4300000 -18.7324 -60.4558 -29.5293 -60.4558 41.1591 37.3304 -29.5294 37.3304 21.8649 GPRESSAVG: 4300000 -18.2557 -62.0523 -30.3722 -58.3336 40.8736 37.9645 -29.5388 38.8209 21.8279 TIMING: 4300000 CPU: 13432.1, 0.00346084/step Wall: 13432.1, 0.00346084/step, 0.672941 hours remaining, 235.031250 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: 4300000 4054.5435 20490.4546 14394.4618 258.2280 -202801.0870 2572.9338 0.0000 0.0000 51758.7457 -109271.7195 297.4582 -161030.4652 -108916.2329 298.6445 -178.5035 -150.7247 763745.9030 14.7639 14.8153 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4300000 PRESSURE: 4300200 49.6771 -193.634 -31.6869 -193.634 4.34593 -120.2 -31.6874 -120.2 -151.928 GPRESSURE: 4300200 125.971 -155.293 1.87656 -250.571 5.27012 -86.4687 -41.429 -206.435 -132.492 PRESSAVG: 4300200 16.6785 -24.5734 -23.3428 -24.5733 15.4317 -27.7963 -23.3429 -27.7963 10.1216 GPRESSAVG: 4300200 17.8562 -24.0284 -20.678 -23.83 14.9552 -29.6433 -22.9013 -27.0357 9.41157 TIMING: 4300200 CPU: 13432.7, 0.00327378/step Wall: 13432.7, 0.00327378/step, 0.636387 hours remaining, 235.031250 MB of memory in use. ENERGY: 4300200 3983.9830 20447.5931 14403.9764 236.8928 -203125.1120 2869.6917 0.0000 0.0000 52014.7640 -109168.2111 298.9296 -161182.9751 -108808.0433 298.9574 -32.6349 -0.4172 763358.1185 14.0773 14.0743 LDB: ============= START OF LOAD BALANCING ============== 13445.2 LDB: ============== END OF LOAD BALANCING =============== 13445.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13445.2 LDB: ============= START OF LOAD BALANCING ============== 13445.5 LDB: Largest compute 7076 load 0.029844 is 15.3% of average load 0.195239 LDB: Average compute 0.004382 is 2.2% of average load 0.195239 LDB: TIME 13445.5 LOAD: AVG 0.195239 MAX 0.216602 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.02 MB LDB: TIME 13445.5 LOAD: AVG 0.195239 MAX 0.216602 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.055 MB LDB: TIME 13445.5 LOAD: AVG 0.195239 MAX 0.216602 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.055 MB LDB: ============== END OF LOAD BALANCING =============== 13445.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13445.6 PRESSURE: 4300400 177.818 17.6644 -173.871 17.6641 -46.5921 -112.226 -173.871 -112.226 141.238 GPRESSURE: 4300400 231.802 38.724 -235.357 -15.7674 -21.2241 -95.9196 -190.128 -185.491 166.923 PRESSAVG: 4300400 -0.992306 8.21299 -0.892953 8.21306 -12.255 -44.4689 -0.892962 -44.4689 -0.701293 GPRESSAVG: 4300400 -1.40627 8.57611 -2.32889 6.66029 -11.777 -42.8972 -2.97431 -46.3426 -0.827103 TIMING: 4300400 CPU: 13433.4, 0.00319563/step Wall: 13433.4, 0.00319563/step, 0.621017 hours remaining, 233.476562 MB of memory in use. ENERGY: 4300400 3957.3029 20579.6648 14394.1601 277.8926 -203105.4542 2852.2652 0.0000 0.0000 51965.1823 -109078.9862 298.6446 -161044.1685 -108708.8913 299.2002 90.8216 125.8336 763832.2683 -4.6495 -4.6701 PRESSURE: 4300600 88.2856 -52.1359 -126.283 -52.1368 420.564 63.266 -126.283 63.2664 -52.9751 GPRESSURE: 4300600 185.223 -27.7195 -109.374 -63.2027 340.763 91.3302 -171.021 89.5943 37.9252 PRESSAVG: 4300600 -20.367 -1.97457 -9.03862 -1.97454 -13.3686 -70.598 -9.03855 -70.598 -38.1494 GPRESSAVG: 4300600 -19.8955 -1.3291 -9.19873 -2.70048 -13.6853 -69.8007 -6.57926 -68.715 -38.0815 TIMING: 4300600 CPU: 13434, 0.0031257/step Wall: 13434, 0.0031257/step, 0.607253 hours remaining, 233.546875 MB of memory in use. ENERGY: 4300600 3922.0140 20503.8905 14422.1493 253.9218 -202582.8417 2424.6607 0.0000 0.0000 52015.8644 -109040.3409 298.9359 -161056.2054 -108680.7646 299.4105 151.9580 187.9703 763841.7602 -23.9617 -23.8874 PRESSURE: 4300800 7.07305 -197.481 40.1628 -197.482 -189.708 41.3713 40.163 41.3712 -141.194 GPRESSURE: 4300800 -11.1135 -179.498 109.491 -171.299 -131.858 -9.19797 -110.098 -9.41598 -105.758 PRESSAVG: 4300800 -43.9334 -10.3713 30.1003 -10.3713 15.2142 46.3403 30.1003 46.3403 12.2131 GPRESSAVG: 4300800 -44.48 -10.7842 29.8623 -9.46591 15.2428 44.6544 29.7675 45.8789 12.6567 TIMING: 4300800 CPU: 13434.6, 0.0031293/step Wall: 13434.6, 0.0031293/step, 0.60778 hours remaining, 233.750000 MB of memory in use. ENERGY: 4300800 4002.3660 20613.4823 14416.0532 230.1931 -202830.5749 2411.1291 0.0000 0.0000 52115.1099 -109042.2413 299.5063 -161157.3512 -108687.4759 299.4878 -107.9431 -82.9099 763605.7230 -5.5021 -5.5268 PRESSURE: 4301000 78.0161 193.735 60.1265 193.734 -97.1319 -56.7231 60.1269 -56.7227 66.7895 GPRESSURE: 4301000 207.769 204.213 67.4865 213.97 -101.692 12.4996 166.526 -100.222 18.7734 PRESSAVG: 4301000 -21.411 44.0858 40.4854 44.0857 -17.1329 11.9472 40.4854 11.9473 -5.01482 GPRESSAVG: 4301000 -22.028 43.7934 40.3863 42.7343 -17.608 12.8967 41.3671 10.5797 -4.50827 TIMING: 4301000 CPU: 13435.3, 0.00310683/step Wall: 13435.3, 0.00310683/step, 0.603242 hours remaining, 233.750000 MB of memory in use. ENERGY: 4301000 3957.4631 20406.2247 14455.0323 255.2416 -203014.9808 2666.2213 0.0000 0.0000 52158.9774 -109115.8204 299.7584 -161274.7977 -108760.7889 299.3402 15.8912 41.6166 762786.5158 -14.5196 -14.7147 PRESSURE: 4301200 -79.9195 -13.3343 43.0607 -13.3344 235.479 126.939 43.0609 126.938 64.3178 GPRESSURE: 4301200 -10.3928 34.2612 113.824 -31.8332 234.074 129.663 -44.3903 34.0802 83.5457 PRESSAVG: 4301200 -15.2173 57.384 31.5938 57.3841 14.163 0.192 31.5938 0.191894 -13.7916 GPRESSAVG: 4301200 -14.9491 58.8265 31.6502 56.8849 14.8095 1.65815 30.4954 0.412217 -14.1122 TIMING: 4301200 CPU: 13435.9, 0.00310985/step Wall: 13435.9, 0.00310985/step, 0.603657 hours remaining, 233.750000 MB of memory in use. ENERGY: 4301200 3934.6288 20402.1379 14430.4020 261.0448 -202963.8943 2686.9826 0.0000 0.0000 52335.4522 -108913.2460 300.7726 -161248.6982 -108543.0719 299.5957 73.2925 102.4091 761879.6894 -4.9486 -4.7506 PRESSURE: 4301400 117.084 -52.7322 -12.2211 -52.7327 -60.5295 129.92 -12.2204 129.921 -553.04 GPRESSURE: 4301400 30.2424 -48.2883 -45.9075 -38.9626 22.0368 108.085 6.16171 37.6022 -464.005 PRESSAVG: 4301400 10.3839 20.7677 66.8213 20.7678 16.4768 -34.7948 66.8213 -34.7947 6.42878 GPRESSAVG: 4301400 10.9803 17.1215 66.9791 23.3522 15.63 -35.0751 68.5262 -34.7541 7.14857 TIMING: 4301400 CPU: 13436.5, 0.00310299/step Wall: 13436.5, 0.00310299/step, 0.602152 hours remaining, 233.750000 MB of memory in use. ENERGY: 4301400 4041.1261 20433.9707 14506.0114 233.1585 -203223.2007 2706.1972 0.0000 0.0000 52241.0005 -109061.7362 300.2297 -161302.7367 -108704.6408 300.0492 -165.4951 -137.2419 762898.3695 11.0965 11.2530 PRESSURE: 4301600 -227.259 -124.582 65.8419 -124.582 -247.446 -107.58 65.841 -107.58 -123.445 GPRESSURE: 4301600 -244.111 -113.215 146.571 -128.639 -115.464 -6.5283 1.5448 31.4892 -145.88 PRESSAVG: 4301600 -13.4703 15.3194 22.5807 15.3194 -0.34011 42.7933 22.5807 42.7934 -3.18867 GPRESSAVG: 4301600 -13.2744 16.2676 22.1342 14.044 -1.01816 43.5304 21.6327 44.0799 -2.52655 TIMING: 4301600 CPU: 13437.1, 0.00310283/step Wall: 13437.1, 0.00310283/step, 0.601948 hours remaining, 233.750000 MB of memory in use. ENERGY: 4301600 4024.0068 20431.2464 14500.7989 246.7637 -202689.3311 2422.3268 0.0000 0.0000 51976.0007 -109088.1879 298.7068 -161064.1886 -108724.5227 299.4315 -199.3833 -168.4848 763166.9007 -5.6664 -5.6064 PRESSURE: 4301800 -214.265 -66.8542 -38.552 -66.8537 -3.7598 228.676 -38.5522 228.676 -44.9853 GPRESSURE: 4301800 -271.819 -56.1288 -1.32906 -139.62 83.676 202.185 -94.8894 159.701 0.0428314 PRESSAVG: 4301800 -20.3695 7.50931 19.3931 7.50926 -20.3046 32.5445 19.3931 32.5444 11.366 GPRESSAVG: 4301800 -19.8052 6.75563 19.553 7.80122 -19.9558 32.5031 19.5399 30.4872 10.825 TIMING: 4301800 CPU: 13437.7, 0.00310869/step Wall: 13437.7, 0.00310869/step, 0.602913 hours remaining, 233.750000 MB of memory in use. ENERGY: 4301800 4036.5006 20473.8148 14479.4636 225.1173 -203269.1744 2913.3026 0.0000 0.0000 52046.5073 -109094.4682 299.1120 -161140.9754 -108738.7384 299.3590 -87.6699 -62.7002 763172.9343 -9.7694 -9.6454 PRESSURE: 4302000 157.111 -101.377 -77.379 -101.378 152.02 -133.947 -77.3783 -133.947 194.171 GPRESSURE: 4302000 223.632 -47.7313 -57.9296 -49.8366 146.241 -166.446 -174.419 -29.683 217.463 PRESSAVG: 4302000 -6.22854 50.6546 9.22074 50.6546 -16.8844 53.0838 9.22072 53.0838 13.9368 GPRESSAVG: 4302000 -6.17273 53.6938 7.99085 49.8853 -16.6322 52.3849 8.45322 55.9933 14.4076 TIMING: 4302000 CPU: 13438.4, 0.0031116/step Wall: 13438.4, 0.0031116/step, 0.603305 hours remaining, 233.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4302000 3989.5125 20571.2637 14406.2013 247.6890 -203205.8184 2853.8730 0.0000 0.0000 51964.8935 -109172.3853 298.6430 -161137.2788 -108811.9315 299.0039 167.7677 195.7788 763077.4831 -3.0587 -2.7991 PRESSURE: 4302200 272.721 -74.7596 354.074 -74.7592 472.571 -7.55155 354.074 -7.55241 330.953 GPRESSURE: 4302200 332.296 -192.246 316.207 -122.475 469.517 45.5691 332.197 -59.3792 368.971 PRESSAVG: 4302200 35.0469 28.1045 8.72668 28.1045 8.67081 -0.0330137 8.72669 -0.032983 -28.525 GPRESSAVG: 4302200 34.8117 27.4623 9.04726 26.6629 8.71835 -1.76962 8.85616 0.600931 -27.3038 TIMING: 4302200 CPU: 13439, 0.00313441/step Wall: 13439, 0.00313441/step, 0.607554 hours remaining, 233.750000 MB of memory in use. ENERGY: 4302200 3973.5647 20579.8190 14453.9922 251.9968 -203217.9299 2915.7408 0.0000 0.0000 51994.4090 -109048.4075 298.8126 -161042.8165 -108688.9453 298.8682 358.7483 390.2612 761618.8809 5.0643 5.4087 PRESSURE: 4302400 150.601 -1.07905 173.825 -1.07869 458.843 22.6378 173.825 22.6389 147.051 GPRESSURE: 4302400 210.789 -10.2259 158.958 -9.75432 403.327 64.439 323.021 16.9538 194.859 PRESSAVG: 4302400 -17.4747 6.65894 12.3475 6.65895 24.7448 22.183 12.3476 22.1829 5.88639 GPRESSAVG: 4302400 -15.6961 6.40192 14.286 6.98059 24.6341 24.4212 13.1709 18.984 4.24519 TIMING: 4302400 CPU: 13439.6, 0.00313445/step Wall: 13439.6, 0.00313445/step, 0.607387 hours remaining, 233.750000 MB of memory in use. ENERGY: 4302400 3955.4515 20545.2155 14467.9114 250.8203 -203445.9662 3153.8456 0.0000 0.0000 51922.5727 -109150.1492 298.3997 -161072.7220 -108793.4543 299.4007 252.1648 269.6582 762923.1490 4.3855 4.3944 PRESSURE: 4302600 249.452 -63.1845 202.197 -63.1843 199.398 -49.8201 202.197 -49.8204 270.069 GPRESSURE: 4302600 396.915 -56.3909 111.729 -100.804 218.482 -33.1927 258.708 -0.639646 196.555 PRESSAVG: 4302600 -10.7794 40.345 -0.90662 40.345 2.2533 34.2175 -0.906635 34.2176 -4.62955 GPRESSAVG: 4302600 -11.4251 38.9916 -1.63716 41.8433 1.94989 33.6199 -1.07718 34.8094 -4.34174 TIMING: 4302600 CPU: 13440.2, 0.00312259/step Wall: 13440.2, 0.00312259/step, 0.604916 hours remaining, 233.750000 MB of memory in use. ENERGY: 4302600 3935.0317 20576.7249 14411.8691 236.0764 -202893.9875 2550.8489 0.0000 0.0000 52184.5180 -108998.9186 299.9051 -161183.4366 -108634.1908 299.7173 239.6396 270.6505 762911.2529 -4.3852 -4.6057 PRESSURE: 4302800 255.075 -48.3508 149.714 -48.3515 -246.508 22.7503 149.714 22.7504 141.729 GPRESSURE: 4302800 201.775 -160.927 71.678 21.6285 -158.845 13.4639 108.162 158.515 177.59 PRESSAVG: 4302800 -5.32519 19.9757 8.40159 19.9757 6.18787 24.2916 8.40157 24.2915 -0.186399 GPRESSAVG: 4302800 -5.66628 18.3309 6.93322 21.1302 6.81532 23.3537 8.07495 27.579 -0.398156 TIMING: 4302800 CPU: 13440.9, 0.00312587/step Wall: 13440.9, 0.00312587/step, 0.605376 hours remaining, 233.750000 MB of memory in use. ENERGY: 4302800 3962.6847 20519.2772 14421.1155 242.4131 -203055.4639 2672.7764 0.0000 0.0000 52161.1275 -109076.0696 299.7707 -161237.1971 -108724.3210 299.0293 50.0987 73.5067 763214.2540 0.2254 0.2503 PRESSURE: 4303000 -113.625 4.92329 -48.846 4.92338 -159.997 -83.0035 -48.8465 -83.0031 -376.077 GPRESSURE: 4303000 -66.3138 -13.2622 -87.4281 65.2753 -173.674 -144.244 -77.7527 -29.8094 -298.916 PRESSAVG: 4303000 -23.2727 37.8422 -14.859 37.8422 55.9629 -32.2154 -14.859 -32.2153 22.1824 GPRESSAVG: 4303000 -22.9211 40.178 -14.6392 36.3497 56.1208 -33.1301 -14.3851 -33.7671 21.4415 TIMING: 4303000 CPU: 13441.5, 0.00312452/step Wall: 13441.5, 0.00312452/step, 0.604941 hours remaining, 233.750000 MB of memory in use. ENERGY: 4303000 3974.4516 20770.6411 14437.4098 242.1592 -202852.7318 2489.9096 0.0000 0.0000 51893.2700 -109044.8905 298.2313 -160938.1605 -108686.6855 298.8767 -216.5662 -179.6346 762018.2204 18.2909 18.2137 PRESSURE: 4303200 -116.825 -158.703 67.4095 -158.703 -111.518 101.62 67.409 101.619 -64.3049 GPRESSURE: 4303200 -180.405 -114.339 122.253 -114.553 -50.375 95.3341 101.608 267.257 9.55499 PRESSAVG: 4303200 23.6093 22.3465 9.76946 22.3465 -90.3414 -41.1819 9.76947 -41.182 -9.96341 GPRESSAVG: 4303200 23.1246 22.002 10.3039 23.7655 -91.044 -39.7686 11.5804 -41.4202 -7.93981 TIMING: 4303200 CPU: 13442.1, 0.00311154/step Wall: 13442.1, 0.00311155/step, 0.602257 hours remaining, 233.750000 MB of memory in use. ENERGY: 4303200 3972.0107 20463.5457 14491.2231 247.3420 -203068.6947 2698.1051 0.0000 0.0000 52189.5252 -109006.9429 299.9339 -161196.4681 -108649.7444 299.2388 -97.5491 -73.7418 763596.5434 -25.5652 -25.2864 PRESSURE: 4303400 21.917 39.3579 44.7034 39.3576 -253.287 -179.297 44.7027 -179.297 242.245 GPRESSURE: 4303400 16.3718 23.7643 31.7313 140.867 -222.82 -220.087 -103.316 -283.253 305.226 PRESSAVG: 4303400 33.3052 -43.5667 19.0872 -43.5667 -39.6872 -28.5308 19.0872 -28.5308 -22.5649 GPRESSAVG: 4303400 33.8198 -42.5179 19.5148 -45.1614 -39.0024 -29.6659 16.9554 -29.2717 -23.8145 TIMING: 4303400 CPU: 13442.7, 0.00311216/step Wall: 13442.7, 0.00311216/step, 0.602204 hours remaining, 233.750000 MB of memory in use. ENERGY: 4303400 3986.7330 20401.2798 14480.3666 240.9186 -203150.1910 2973.4205 0.0000 0.0000 52211.1278 -108856.3449 300.0581 -161067.4727 -108491.9631 299.7876 3.6250 32.9259 762639.8256 -9.6489 -9.6657 PRESSURE: 4303600 -34.2079 46.4011 50.9552 46.401 36.1792 45.3321 50.956 45.3316 -134.139 GPRESSURE: 4303600 -64.8967 31.9483 39.6572 28.7359 100.594 1.09266 85.2716 -27.9462 -109.758 PRESSAVG: 4303600 -19.2755 -12.2795 -1.47266 -12.2796 -28.1479 -44.4891 -1.47267 -44.4891 19.978 GPRESSAVG: 4303600 -21.0811 -13.9488 -2.46871 -11.7692 -27.3845 -42.4323 -1.15757 -46.5557 20.7289 TIMING: 4303600 CPU: 13443.4, 0.00312495/step Wall: 13443.4, 0.00312495/step, 0.604504 hours remaining, 233.750000 MB of memory in use. ENERGY: 4303600 3961.4573 20570.3063 14437.8377 243.2969 -202992.1452 2769.9283 0.0000 0.0000 52014.3223 -108994.9963 298.9270 -161009.3186 -108635.6128 299.3873 -44.0560 -24.6869 763544.1361 -9.1485 -9.2455 PRESSURE: 4303800 58.3888 -18.7956 -304.49 -18.7952 152.528 194.276 -304.49 194.277 90.5813 GPRESSURE: 4303800 87.3533 -103.774 -325.882 -48.0071 142.012 137.693 -295.442 186.5 169.642 PRESSAVG: 4303800 44.9927 -49.0832 -30.1452 -49.0832 1.94257 -5.05772 -30.1451 -5.05772 -9.32622 GPRESSAVG: 4303800 45.4947 -47.9539 -29.5839 -49.9699 1.34253 -4.3262 -30.0126 -4.27907 -9.47269 TIMING: 4303800 CPU: 13444, 0.00312578/step Wall: 13444, 0.00312578/step, 0.604491 hours remaining, 233.750000 MB of memory in use. ENERGY: 4303800 3989.1147 20455.3953 14479.2270 249.3141 -202695.5480 2419.5011 0.0000 0.0000 51961.6865 -109141.3094 298.6245 -161102.9959 -108782.1396 299.6935 100.4995 133.0022 762853.6110 12.5364 12.4548 PRESSURE: 4304000 -177.26 82.6517 -83.9294 82.6515 123.243 60.671 -83.9294 60.672 -857.265 GPRESSURE: 4304000 -98.742 120.566 -86.5744 133.184 62.386 114.529 -84.021 -62.3311 -775.423 PRESSAVG: 4304000 -16.1651 13.1373 -25.9497 13.1372 -10.6615 -8.1799 -25.9497 -8.17998 -5.33209 GPRESSAVG: 4304000 -14.8527 12.8393 -26.4435 14.9451 -11.9983 -10.2958 -25.5276 -7.87121 -4.81618 TIMING: 4304000 CPU: 13444.6, 0.00312047/step Wall: 13444.6, 0.00312047/step, 0.603291 hours remaining, 233.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4304000 4042.0559 20397.6388 14515.8347 243.0204 -203028.2887 2506.1491 0.0000 0.0000 52238.2793 -109085.3106 300.2141 -161323.5898 -108714.6906 299.5581 -303.7606 -270.5930 762573.4532 -10.7195 -10.5558 PRESSURE: 4304200 -179.847 -134.258 -22.7148 -134.258 -48.036 -155.79 -22.7151 -155.79 -343.239 GPRESSURE: 4304200 -50.9741 -282.799 -15.4672 8.10457 -88.2141 -67.3531 -50.1804 -80.2356 -353.991 PRESSAVG: 4304200 31.9072 33.6197 33.4925 33.6196 -64.9022 17.7224 33.4926 17.7224 -2.14399 GPRESSAVG: 4304200 33.2814 35.7908 34.0389 30.4926 -64.4676 19.6228 33.1405 18.6196 -3.75921 TIMING: 4304200 CPU: 13445.2, 0.00312117/step Wall: 13445.2, 0.00312117/step, 0.603252 hours remaining, 233.750000 MB of memory in use. ENERGY: 4304200 4029.3317 20384.5639 14412.4116 244.2872 -203047.6150 2658.7079 0.0000 0.0000 52395.1417 -108923.1711 301.1156 -161318.3128 -108557.9202 299.7630 -190.3741 -164.3930 763167.5239 -11.7130 -11.6485 LDB: ============= START OF LOAD BALANCING ============== 13457.7 LDB: ============== END OF LOAD BALANCING =============== 13457.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13457.7 LDB: ============= START OF LOAD BALANCING ============== 13458 LDB: Largest compute 7033 load 0.029658 is 15.2% of average load 0.195242 LDB: Average compute 0.004388 is 2.2% of average load 0.195242 LDB: TIME 13458 LOAD: AVG 0.195242 MAX 0.214551 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.832 MB LDB: TIME 13458 LOAD: AVG 0.195242 MAX 0.214551 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.035 MB LDB: TIME 13458 LOAD: AVG 0.195242 MAX 0.214551 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.035 MB LDB: ============== END OF LOAD BALANCING =============== 13458 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 PRESSURE: 4304400 -75.537 145.703 181.144 145.704 -205.515 68.2421 181.144 68.2416 -451.544 GPRESSURE: 4304400 -226.259 152.542 236.109 133.111 -91.9544 113.66 225.533 -46.0143 -320.559 PRESSAVG: 4304400 43.5724 26.5618 -33.6683 26.5618 -49.2604 38.2267 -33.6683 38.2267 -23.1865 GPRESSAVG: 4304400 41.0906 23.0633 -33.4002 29.2499 -48.4752 35.4278 -33.0046 39.0694 -22.4098 TIMING: 4304400 CPU: 13445.9, 0.00318458/step Wall: 13445.9, 0.00318458/step, 0.615332 hours remaining, 234.707031 MB of memory in use. ENERGY: 4304400 3926.4125 20584.8061 14462.8219 204.8837 -202993.7034 2486.2397 0.0000 0.0000 52146.0462 -109182.4934 299.6840 -161328.5396 -108810.7367 299.8879 -244.1986 -212.9240 763910.1402 -9.6248 -9.9314 PRESSURE: 4304600 192.281 -86.5016 61.5729 -86.5019 -241.512 15.8559 61.5732 15.8569 159.299 GPRESSURE: 4304600 151.427 -96.158 49.6291 -115.153 -107.587 8.39647 1.4296 86.9821 155.329 PRESSAVG: 4304600 0.910103 -28.6317 36.641 -28.6316 28.0529 -13.0808 36.641 -13.0807 -8.77507 GPRESSAVG: 4304600 1.8523 -27.367 37.91 -28.0682 26.9862 -10.6416 37.3767 -12.2566 -9.51285 TIMING: 4304600 CPU: 13446.5, 0.00313182/step Wall: 13446.5, 0.00313182/step, 0.604963 hours remaining, 235.035156 MB of memory in use. ENERGY: 4304600 4002.7877 20399.1530 14329.6982 253.4475 -203245.8355 2931.8679 0.0000 0.0000 52131.5789 -109197.3024 299.6009 -161328.8812 -108843.3856 298.7171 36.6892 66.3897 764432.4659 6.7293 6.4419 PRESSURE: 4304800 77.232 170.721 141.972 170.721 236.411 24.4321 141.972 24.4332 95.1254 GPRESSURE: 4304800 200.544 97.8247 144.836 112.584 232.256 -58.0123 46.4127 -59.8771 66.5101 PRESSAVG: 4304800 38.9372 -12.0677 26.3163 -12.0678 -46.2222 16.5818 26.3163 16.5818 3.62181 GPRESSAVG: 4304800 39.3182 -13.122 26.8219 -11.7655 -45.1578 17.3358 24.8142 14.4367 1.85925 TIMING: 4304800 CPU: 13447.1, 0.00311752/step Wall: 13447.1, 0.00311752/step, 0.602028 hours remaining, 235.035156 MB of memory in use. ENERGY: 4304800 4028.9412 20395.0070 14473.3767 244.5855 -203670.0826 3375.7624 0.0000 0.0000 52169.2932 -108983.1166 299.8176 -161152.4098 -108609.1542 299.3736 136.2562 166.4369 762290.5579 -1.2211 -1.3268 PRESSURE: 4305000 57.0223 29.0042 114.242 29.0045 -143.392 21.6287 114.242 21.6282 112.749 GPRESSURE: 4305000 135.515 7.45646 3.86089 37.0269 -52.1394 -24.6018 113.988 -21.1669 61.5199 PRESSAVG: 4305000 4.00328 -30.1788 -11.8002 -30.1788 -26.3875 -44.0544 -11.8002 -44.0544 -16.3695 GPRESSAVG: 4305000 2.63982 -26.7951 -14.0957 -31.0023 -25.5895 -46.1766 -11.892 -41.6014 -15.2713 TIMING: 4305000 CPU: 13447.8, 0.00313576/step Wall: 13447.8, 0.00313576/step, 0.605376 hours remaining, 235.101562 MB of memory in use. ENERGY: 4305000 4019.7673 20453.2097 14515.5701 241.1497 -202851.1116 2556.4840 0.0000 0.0000 52162.2675 -108902.6634 299.7773 -161064.9308 -108537.5476 299.7776 8.7930 48.2986 763062.0156 -12.9179 -12.7403 PRESSURE: 4305200 -187.858 -40.444 -245.534 -40.4445 -7.5996 139.595 -245.534 139.593 -182.338 GPRESSURE: 4305200 -88.7245 -65.4038 -219.326 6.87812 -22.0869 171.592 -286.315 47.8331 -179.164 PRESSAVG: 4305200 -9.42359 -1.4763 23.7768 -1.47626 -40.1711 -5.06717 23.7768 -5.0671 7.4757 GPRESSAVG: 4305200 -7.91357 -3.39997 24.4267 -2.1075 -42.3459 -3.01356 24.5813 -9.13664 7.65021 TIMING: 4305200 CPU: 13448.4, 0.00313284/step Wall: 13448.4, 0.00313284/step, 0.604638 hours remaining, 235.101562 MB of memory in use. ENERGY: 4305200 3962.4513 20520.8042 14535.8724 242.9414 -202715.6605 2648.5004 0.0000 0.0000 51970.6720 -108834.4189 298.6762 -160805.0908 -108482.8685 299.5555 -125.9318 -96.6583 763984.3477 -14.0397 -14.2031 PRESSURE: 4305400 -200.826 -92.5823 54.3479 -92.5824 -223.178 -91.6877 54.3481 -91.6875 -378.021 GPRESSURE: 4305400 -245.892 -73.9174 147.359 -113.758 -129.484 -106.636 3.06321 28.0402 -343.998 PRESSAVG: 4305400 26.6617 -82.4726 5.03606 -82.4727 -16.9264 3.49031 5.03608 3.49024 3.21579 GPRESSAVG: 4305400 25.1308 -82.5962 4.61213 -83.4352 -15.7365 2.10526 3.64842 6.00718 3.13416 TIMING: 4305400 CPU: 13449, 0.00313302/step Wall: 13449, 0.00313302/step, 0.604499 hours remaining, 235.101562 MB of memory in use. ENERGY: 4305400 4052.4344 20613.2498 14459.8434 247.7822 -202573.8406 2404.4953 0.0000 0.0000 52025.6543 -108770.3811 298.9922 -160796.0354 -108419.5591 299.5489 -267.3417 -239.7915 763843.4618 4.3171 4.1761 PRESSURE: 4305600 247.042 114.432 -22.0009 114.431 162.147 112.455 -22.0014 112.456 384.885 GPRESSURE: 4305600 337.458 116.572 1.05954 90.5305 139.277 28.5491 -15.8057 116.148 398.949 PRESSAVG: 4305600 75.2611 -45.8423 -10.7674 -45.8422 -36.2599 15.0225 -10.7673 15.0225 7.63394 GPRESSAVG: 4305600 76.0678 -43.7979 -9.69617 -45.8865 -35.9252 16.0253 -9.72114 12.6278 6.49795 TIMING: 4305600 CPU: 13449.6, 0.00315795/step Wall: 13449.6, 0.00315795/step, 0.609134 hours remaining, 235.101562 MB of memory in use. ENERGY: 4305600 3879.8391 20508.1570 14499.9770 248.8013 -203128.6575 2867.8060 0.0000 0.0000 52147.7112 -108976.3659 299.6936 -161124.0771 -108605.6428 299.4935 264.6913 291.8946 760675.9638 15.5451 15.5468 PRESSURE: 4305800 125.562 60.3604 16.8333 60.3598 -164.167 -37.1946 16.8336 -37.1942 128.408 GPRESSURE: 4305800 175.572 46.3184 3.34807 128.242 -134.648 -50.0139 79.3235 -47.4026 130.918 PRESSAVG: 4305800 28.5541 -13.306 26.318 -13.306 -20.3749 -34.5131 26.3181 -34.5131 19.0035 GPRESSAVG: 4305800 27.7884 -17.4712 25.2464 -12.1792 -19.9795 -36.9536 26.4035 -31.5754 19.2088 TIMING: 4305800 CPU: 13450.3, 0.00314499/step Wall: 13450.3, 0.00314499/step, 0.606458 hours remaining, 235.101562 MB of memory in use. ENERGY: 4305800 4050.7710 20417.8423 14480.0133 254.5005 -203012.8675 2766.4614 0.0000 0.0000 52183.6122 -108859.6667 299.8999 -161043.2789 -108489.1872 299.2791 29.9343 57.2805 761874.0582 9.0609 9.0059 PRESSURE: 4306000 85.8409 19.6471 103.933 19.6475 309.642 -340.124 103.933 -340.125 -52.1691 GPRESSURE: 4306000 144.235 -8.41691 7.58553 73.5057 386.999 -383.34 157.441 -343.494 -100.478 PRESSAVG: 4306000 45.4465 -58.9032 31.0508 -58.9032 -44.8339 -15.1682 31.0508 -15.1682 -43.3196 GPRESSAVG: 4306000 46.4734 -57.37 30.8922 -57.8259 -45.9644 -13.3444 30.6674 -14.9146 -43.4568 TIMING: 4306000 CPU: 13450.9, 0.00312567/step Wall: 13450.9, 0.00312567/step, 0.602559 hours remaining, 235.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4306000 3961.8372 20435.8352 14499.5626 234.9245 -202366.2030 2502.3989 0.0000 0.0000 51784.7872 -108946.8573 297.6079 -160731.6445 -108599.3615 299.1530 114.4381 143.5852 763654.6109 -14.2356 -14.3160 PRESSURE: 4306200 130.838 137.837 227.782 137.837 -598.003 1.43524 227.783 1.43436 106.436 GPRESSURE: 4306200 93.0682 -58.4468 232.489 75.2011 -484.91 35.1177 261.876 5.45434 117.093 PRESSAVG: 4306200 71.5873 -19.1934 36.8611 -19.1933 -85.846 -50.3579 36.8611 -50.358 -12.6823 GPRESSAVG: 4306200 69.613 -21.4198 38.2362 -20.3674 -85.3853 -48.871 35.888 -53.8 -11.6494 TIMING: 4306200 CPU: 13451.5, 0.00312183/step Wall: 13451.5, 0.00312183/step, 0.601647 hours remaining, 235.101562 MB of memory in use. ENERGY: 4306200 4001.4026 20353.3823 14490.5923 221.4167 -202925.4330 2646.2257 0.0000 0.0000 52267.1905 -108945.2228 300.3803 -161212.4134 -108585.5065 299.5873 -120.2431 -91.5828 764295.8633 -8.9803 -9.1406 PRESSURE: 4306400 -131.277 -10.0893 7.64064 -10.0892 -45.6814 -163.251 7.64056 -163.252 -27.4158 GPRESSURE: 4306400 -93.8818 26.3135 -72.2044 55.0193 -19.0954 -148.575 1.52828 -111.086 -6.39289 PRESSAVG: 4306400 54.8466 -32.0487 2.64269 -32.0486 -30.4932 -32.774 2.64271 -32.774 6.85986 GPRESSAVG: 4306400 56.7779 -32.4298 3.47442 -30.9141 -31.8104 -32.9788 3.29144 -29.1686 6.89713 TIMING: 4306400 CPU: 13452.1, 0.00314055/step Wall: 13452.1, 0.00314055/step, 0.605078 hours remaining, 235.101562 MB of memory in use. ENERGY: 4306400 3981.9334 20512.2720 14411.9963 258.6169 -202932.9793 2724.2509 0.0000 0.0000 51884.6798 -109159.2300 298.1820 -161043.9097 -108805.1455 299.3554 -68.1247 -39.7900 764396.2108 10.4044 10.6215 PRESSURE: 4306600 333.071 -80.2128 -187 -80.2124 50.4595 28.5485 -187 28.5487 66.5921 GPRESSURE: 4306600 351.338 -107.011 -140.678 -14.9978 64.4169 -2.20498 -126.618 0.720807 131.819 PRESSAVG: 4306600 -11.2132 -31.5954 -16.0979 -31.5953 -21.9079 -16.3311 -16.0978 -16.331 12.205 GPRESSAVG: 4306600 -11.1816 -28.1373 -16.2102 -32.3057 -21.1605 -18.1316 -17.1145 -18.9817 11.5941 TIMING: 4306600 CPU: 13452.8, 0.0031356/step Wall: 13452.8, 0.0031356/step, 0.603952 hours remaining, 235.101562 MB of memory in use. ENERGY: 4306600 3935.5907 20342.8374 14503.8432 241.3599 -202893.7425 2521.6604 0.0000 0.0000 52109.6294 -109238.8215 299.4748 -161348.4509 -108877.7621 298.9583 150.0409 182.5246 762076.7502 -6.9720 -6.9160 PRESSURE: 4306800 -480.27 69.0594 -30.1248 69.0593 -262.318 -180.834 -30.1242 -180.834 148.128 GPRESSURE: 4306800 -427.624 -12.9994 -16.2418 24.301 -161.717 -156.895 48.771 20.8612 87.6082 PRESSAVG: 4306800 55.002 -31.6354 70.2424 -31.6354 -79.0031 18.8399 70.2424 18.84 -0.450436 GPRESSAVG: 4306800 55.1122 -33.3975 69.8765 -33.6831 -79.1021 19.3595 71.4815 16.7645 -0.738318 TIMING: 4306800 CPU: 13453.4, 0.00314815/step Wall: 13453.4, 0.00314815/step, 0.606193 hours remaining, 235.101562 MB of memory in use. ENERGY: 4306800 3925.0153 20317.8320 14429.7920 263.2239 -202569.2772 2434.8258 0.0000 0.0000 52063.6923 -109134.8959 299.2108 -161198.5881 -108759.2334 298.8181 -198.1533 -167.2442 763554.8818 -8.1505 -8.2427 PRESSURE: 4307000 -49.0409 -187.137 -164.895 -187.137 -509.896 -308.732 -164.895 -308.732 170.909 GPRESSURE: 4307000 -32.7311 -168.895 -209.156 -135.807 -415.041 -303.981 -179.317 -238.203 132.413 PRESSAVG: 4307000 56.9578 -37.2357 28.2872 -37.2358 -25.2403 38.0463 28.2872 38.0462 0.788065 GPRESSAVG: 4307000 55.7483 -37.3085 28.2727 -36.1294 -24.0526 39.6429 27.7484 40.1442 1.34135 TIMING: 4307000 CPU: 13454, 0.00313752/step Wall: 13454, 0.00313752/step, 0.603972 hours remaining, 235.101562 MB of memory in use. ENERGY: 4307000 3977.5133 20411.3275 14451.5250 222.2281 -202747.7095 2436.3394 0.0000 0.0000 51990.9139 -109257.8623 298.7925 -161248.7762 -108902.3863 298.8215 -129.3425 -105.1197 764496.8766 10.8352 11.0124 PRESSURE: 4307200 -150.607 93.2792 85.7693 93.2792 -14.6587 -170.117 85.7703 -170.117 -163.049 GPRESSURE: 4307200 -87.1299 117.103 166.919 36.9174 -43.8146 -215.302 41.2901 97.1196 -117.448 PRESSAVG: 4307200 13.4321 17.5902 16.4837 17.5902 -20.5093 -13.713 16.4837 -13.713 15.8776 GPRESSAVG: 4307200 15.0643 17.9225 17.3945 19.9242 -20.7952 -15.0868 15.8928 -11.8517 14.7984 TIMING: 4307200 CPU: 13454.7, 0.00314233/step Wall: 13454.7, 0.00314233/step, 0.604725 hours remaining, 235.101562 MB of memory in use. ENERGY: 4307200 3937.8887 20290.3986 14560.0053 221.0844 -202698.1012 2577.1203 0.0000 0.0000 51731.7186 -109379.8853 297.3029 -161111.6039 -109016.0790 298.3045 -109.4383 -82.7975 763492.5132 2.9335 3.0225 PRESSURE: 4307400 -167.189 -114.928 17.1449 -114.928 217.588 -265.555 17.1437 -265.556 96.4324 GPRESSURE: 4307400 6.81445 -117.995 -25.8962 -36.5677 138.852 -232.281 -61.3934 -231.992 105.942 PRESSAVG: 4307400 40.0434 29.2009 34.5729 29.2009 -10.1207 -24.2334 34.5729 -24.2333 9.36942 GPRESSAVG: 4307400 40.551 28.4532 33.5382 27.0199 -10.9421 -23.5135 33.2251 -25.4566 9.50881 TIMING: 4307400 CPU: 13455.3, 0.00314693/step Wall: 13455.3, 0.00314693/step, 0.605434 hours remaining, 235.078125 MB of memory in use. ENERGY: 4307400 3948.4949 20299.3964 14501.0319 260.7297 -203090.7575 2745.8349 0.0000 0.0000 52051.0912 -109284.1785 299.1383 -161335.2697 -108922.1033 298.2728 48.9438 83.8696 762494.1889 13.0974 13.0392 PRESSURE: 4307600 -101.737 76.9056 -177.747 76.906 23.8174 41.2273 -177.747 41.2279 -361.886 GPRESSURE: 4307600 -35.4383 110.619 -245.901 15.431 -43.0434 61.5445 -102.609 29.8667 -281.508 PRESSAVG: 4307600 17.4495 13.3732 59.6768 13.3732 29.1226 -1.64209 59.6768 -1.6421 12.4312 GPRESSAVG: 4307600 17.2066 13.4751 58.4578 15.0925 29.0561 -1.91916 62.2767 -2.00846 12.5144 TIMING: 4307600 CPU: 13455.9, 0.00310479/step Wall: 13455.9, 0.00310479/step, 0.597155 hours remaining, 235.101562 MB of memory in use. ENERGY: 4307600 4006.7675 20398.9993 14542.0562 261.6897 -203084.5490 2313.8822 0.0000 0.0000 52265.3041 -109295.8500 300.3694 -161561.1541 -108942.6918 298.5466 -146.6019 -119.9966 763365.7861 19.6677 19.5924 PRESSURE: 4307800 204.101 -34.616 98.2173 -34.6155 -262.145 -173.362 98.2174 -173.362 176.789 GPRESSURE: 4307800 216.555 -74.5682 116.519 -84.459 -282.044 -20.0273 74.7945 -150.935 241.558 PRESSAVG: 4307800 -18.6929 -15.1321 39.1343 -15.1321 -16.9802 -11.0957 39.1342 -11.0958 2.23578 GPRESSAVG: 4307800 -19.6601 -13.954 40.8657 -17.1953 -16.4405 -11.3223 39.6975 -7.60893 3.23097 TIMING: 4307800 CPU: 13456.5, 0.00311926/step Wall: 13456.5, 0.00311926/step, 0.599765 hours remaining, 235.101562 MB of memory in use. ENERGY: 4307800 4013.3287 20541.5016 14444.6821 246.3988 -203395.3921 2835.3717 0.0000 0.0000 51964.9101 -109349.1991 298.6431 -161314.1092 -108984.8871 298.8823 39.5820 58.6896 762430.5078 -11.1458 -10.9565 PRESSURE: 4308000 12.4716 32.6595 205.423 32.6591 -363.572 51.3285 205.424 51.3275 -250.368 GPRESSURE: 4308000 25.1077 -36.058 289.452 -17.4422 -300.035 48.0647 139.567 -4.93422 -247.739 PRESSAVG: 4308000 83.1986 -5.87804 24.2845 -5.87801 -29.0746 -20.1972 24.2844 -20.1973 9.23479 GPRESSAVG: 4308000 84.2235 -9.1082 23.1409 -3.76355 -28.7833 -20.5369 22.2491 -24.1493 7.80462 TIMING: 4308000 CPU: 13457.2, 0.00314498/step Wall: 13457.2, 0.00314498/step, 0.604536 hours remaining, 235.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4308000 3945.9345 20427.6826 14556.1521 246.3099 -202835.3935 2445.1164 0.0000 0.0000 51855.1436 -109359.0544 298.0122 -161214.1980 -108995.7976 298.5223 -200.4893 -174.2221 761771.1301 21.1196 21.0816 PRESSURE: 4308200 537.333 75.382 61.6139 75.3821 -108.987 40.2067 61.6148 40.2066 172.218 GPRESSURE: 4308200 492.882 82.3615 175.395 64.61 57.0992 93.7044 -71.1844 203.635 143.375 PRESSAVG: 4308200 25.5601 4.24573 0.692021 4.24575 -23.7234 -8.01415 0.692047 -8.01421 39.6475 GPRESSAVG: 4308200 25.1671 7.79475 1.11442 1.7718 -24.8645 -8.06953 1.51897 -5.78729 41.1399 TIMING: 4308200 CPU: 13457.8, 0.00314384/step Wall: 13457.8, 0.00314384/step, 0.604142 hours remaining, 235.101562 MB of memory in use. ENERGY: 4308200 3953.4504 20498.4921 14530.9365 249.2196 -203511.0173 2940.3477 0.0000 0.0000 52087.7629 -109250.8081 299.3491 -161338.5709 -108882.2072 298.9361 200.1877 231.1188 762197.8887 13.8280 13.8142 LDB: ============= START OF LOAD BALANCING ============== 13470.3 LDB: ============== END OF LOAD BALANCING =============== 13470.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13470.3 LDB: ============= START OF LOAD BALANCING ============== 13470.6 LDB: Largest compute 7030 load 0.031004 is 15.9% of average load 0.195348 LDB: Average compute 0.004398 is 2.3% of average load 0.195348 LDB: TIME 13470.6 LOAD: AVG 0.195348 MAX 0.215105 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.898 MB LDB: TIME 13470.6 LOAD: AVG 0.195348 MAX 0.215105 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.992 MB LDB: TIME 13470.6 LOAD: AVG 0.195348 MAX 0.215105 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.992 MB LDB: ============== END OF LOAD BALANCING =============== 13470.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13470.6 PRESSURE: 4308400 -287.32 25.4855 -111.148 25.4847 -322.354 84.1245 -111.148 84.1242 -331.069 GPRESSURE: 4308400 -237.25 -15.5465 -66.2393 77.6752 -345.618 35.086 -109.758 -81.7229 -288.832 PRESSAVG: 4308400 15.6212 -11.408 -3.03766 -11.4081 4.17546 -14.571 -3.03767 -14.571 8.32395 GPRESSAVG: 4308400 14.8193 -13.1126 -5.25509 -9.61799 5.00964 -14.6667 -2.6246 -15.5242 8.0599 TIMING: 4308400 CPU: 13458.4, 0.003192/step Wall: 13458.4, 0.003192/step, 0.613219 hours remaining, 234.058594 MB of memory in use. ENERGY: 4308400 3950.8495 20418.0328 14499.3870 243.5325 -202890.0525 2296.9574 0.0000 0.0000 52361.8416 -109119.4517 300.9242 -161481.2933 -108756.5802 299.1556 -313.5808 -290.5666 763704.2729 9.3735 9.2963 PRESSURE: 4308600 402.996 75.7974 -1.44978 75.7969 96.7889 -4.45513 -1.44999 -4.45557 232.282 GPRESSURE: 4308600 408.823 110.206 -26.827 177.545 163.438 29.9652 -6.28027 12.4067 254.948 PRESSAVG: 4308600 -5.09176 24.377 15.0332 24.377 -16.2464 -35.6878 15.0331 -35.6879 17.2352 GPRESSAVG: 4308600 -3.05139 23.6317 17.5797 25.3906 -17.0749 -35.3531 13.613 -37.4753 15.7419 TIMING: 4308600 CPU: 13459.1, 0.00311985/step Wall: 13459.1, 0.00311985/step, 0.599185 hours remaining, 234.464844 MB of memory in use. ENERGY: 4308600 3935.5477 20604.6590 14427.7758 236.6562 -202995.9168 2761.3269 0.0000 0.0000 51907.8162 -109122.1350 298.3149 -161029.9513 -108762.0762 299.2979 244.0221 275.7362 763554.4535 -1.3677 -1.4615 PRESSURE: 4308800 196.214 93.9197 322.79 93.9202 10.3775 11.5563 322.79 11.5565 -165.184 GPRESSURE: 4308800 139.932 190.159 342.956 114.763 62.5202 45.3811 324.685 -73.8106 -82.9496 PRESSAVG: 4308800 7.26366 14.6536 7.95757 14.6536 -3.20206 -12.7322 7.95758 -12.7322 -9.09998 GPRESSAVG: 4308800 5.24976 17.5127 5.06656 12.493 -1.74617 -14.4334 9.04874 -10.898 -8.34096 TIMING: 4308800 CPU: 13459.7, 0.00312484/step Wall: 13459.7, 0.00312484/step, 0.599969 hours remaining, 234.464844 MB of memory in use. ENERGY: 4308800 4036.0488 20523.8416 14574.8179 260.8292 -203245.1680 2726.0671 0.0000 0.0000 51880.5763 -109242.9871 298.1584 -161123.5634 -108883.1827 299.5337 13.8026 39.8341 762420.1305 -1.6795 -1.6125 PRESSURE: 4309000 -97.3653 -91.8879 163.668 -91.8882 262.676 31.9334 163.667 31.9341 -170.347 GPRESSURE: 4309000 -67.5989 -20.9161 150.58 -43.34 239.913 49.7752 143.807 -14.6829 -94.1808 PRESSAVG: 4309000 37.401 -11.6399 -38.9355 -11.6398 -27.0126 -13.0632 -38.9355 -13.0631 20.7113 GPRESSAVG: 4309000 37.0587 -13.4219 -35.3175 -11.8465 -27.4177 -12.3493 -38.9439 -12.6132 21.7064 TIMING: 4309000 CPU: 13460.3, 0.00315301/step Wall: 13460.3, 0.00315301/step, 0.605202 hours remaining, 234.464844 MB of memory in use. ENERGY: 4309000 4019.7713 20604.3902 14571.2040 274.7874 -203269.1935 2777.5976 0.0000 0.0000 51746.7142 -109274.7288 297.3891 -161021.4430 -108914.9204 298.8532 -1.6789 26.0443 761056.4491 10.3666 10.4491 PRESSURE: 4309200 -250.662 188.077 33.2908 188.076 -56.4568 -186.823 33.2898 -186.823 274.166 GPRESSURE: 4309200 -216.017 152.56 55.9468 140.946 21.9229 -145.897 -49.6483 -109.747 243.914 PRESSAVG: 4309200 46.9228 59.1914 -45.5911 59.1914 -56.8908 51.5777 -45.5911 51.5776 29.1265 GPRESSAVG: 4309200 48.302 59.0866 -45.8638 58.6419 -57.514 51.0415 -49.1433 51.4658 28.2275 TIMING: 4309200 CPU: 13460.9, 0.00315447/step Wall: 13460.9, 0.00315448/step, 0.605309 hours remaining, 234.464844 MB of memory in use. ENERGY: 4309200 4020.0101 20512.6670 14461.9246 241.5440 -203603.1665 2852.1286 0.0000 0.0000 52170.1128 -109344.7793 299.8224 -161514.8922 -108973.4393 298.9148 -10.9842 16.6067 761428.8302 6.3862 6.3385 PRESSURE: 4309400 135.338 -215.38 155.491 -215.38 29.9856 -258.508 155.491 -258.509 160.933 GPRESSURE: 4309400 181.525 -143.069 97.4686 -132.608 113.752 -264.216 177.269 -275.004 102.233 PRESSAVG: 4309400 38.9943 32.0389 6.33907 32.0389 -66.9594 -58.1053 6.33905 -58.1052 11.7428 GPRESSAVG: 4309400 38.1972 32.6906 5.27278 34.7344 -66.561 -56.1927 9.68324 -60.2355 11.6886 TIMING: 4309400 CPU: 13461.6, 0.00315433/step Wall: 13461.6, 0.00315433/step, 0.605106 hours remaining, 234.464844 MB of memory in use. ENERGY: 4309400 3981.5280 20616.4858 14458.7546 252.8838 -203520.0290 2689.5769 0.0000 0.0000 52064.2266 -109456.5734 299.2138 -161520.8000 -109093.7801 298.6951 108.7522 132.5031 762004.1463 -5.4074 -5.5584 PRESSURE: 4309600 -250.023 -72.4609 -35.1317 -72.4606 -66.1412 -33.6287 -35.132 -33.6285 69.5475 GPRESSURE: 4309600 -235.32 23.6341 -105.506 -145.965 23.8094 26.1633 -22.074 -86.067 49.4095 PRESSAVG: 4309600 56.3687 -46.5121 -43.8927 -46.5121 -80.9862 -26.1766 -43.8928 -26.1765 -28.3353 GPRESSAVG: 4309600 56.5004 -46.0898 -44.2579 -47.8764 -80.2779 -27.4454 -45.3845 -23.9217 -29.2397 TIMING: 4309600 CPU: 13462.2, 0.00314246/step Wall: 13462.2, 0.00314246/step, 0.602654 hours remaining, 234.464844 MB of memory in use. ENERGY: 4309600 3987.7877 20463.2799 14421.1311 232.8737 -203082.6103 2541.0559 0.0000 0.0000 52161.9732 -109274.5088 299.7756 -161436.4819 -108913.5298 298.5625 -82.2056 -54.0338 762142.2622 -17.6509 -17.6724 PRESSURE: 4309800 -53.5594 -89.9209 213.819 -89.9194 -159.359 152.744 213.82 152.743 -210.215 GPRESSURE: 4309800 2.71833 -140.824 265.843 -81.7006 -86.5872 105.238 173.191 96.2387 -239.818 PRESSAVG: 4309800 72.3458 -10.816 5.48222 -10.816 -70.4802 -29.2078 5.48223 -29.2079 32.7902 GPRESSAVG: 4309800 72.4737 -12.1457 6.16941 -9.96292 -71.054 -28.346 5.43366 -30.9313 33.6977 TIMING: 4309800 CPU: 13462.8, 0.00315824/step Wall: 13462.8, 0.00315824/step, 0.605505 hours remaining, 234.464844 MB of memory in use. ENERGY: 4309800 3998.0070 20571.7842 14421.7061 260.3446 -203041.3429 2478.5499 0.0000 0.0000 52061.2244 -109249.7267 299.1966 -161310.9511 -108898.5666 298.9997 -141.0445 -107.8956 761888.2736 11.5520 11.7058 PRESSURE: 4310000 21.7642 -12.4415 30.2422 -12.4413 -215.799 -62.0268 30.2427 -62.0265 -89.1295 GPRESSURE: 4310000 86.6013 -17.5011 30.65 -25.271 -237.249 -26.8567 107.358 -8.22652 -33.9744 PRESSAVG: 4310000 84.1715 -11.8877 -19.3397 -11.8877 -91.984 -3.68171 -19.3397 -3.68168 -10.337 GPRESSAVG: 4310000 84.779 -11.7217 -21.2888 -12.7985 -92.8027 -3.9484 -14.4867 -2.20817 -10.6088 TIMING: 4310000 CPU: 13463.5, 0.00316804/step Wall: 13463.5, 0.00316804/step, 0.607207 hours remaining, 234.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4310000 3982.3246 20600.1660 14521.4234 253.5267 -203364.0714 2729.3523 0.0000 0.0000 52124.0372 -109153.2412 299.5576 -161277.2784 -108791.2608 299.2626 -94.3882 -61.5406 762729.4039 -6.0498 -6.2108 PRESSURE: 4310200 141.863 -218.688 112.558 -218.688 611.273 65.9288 112.557 65.9282 313.112 GPRESSURE: 4310200 243.903 -286.885 105.027 -4.00692 520.894 150.197 97.22 60.6869 370.534 PRESSAVG: 4310200 57.9979 -95.496 28.9598 -95.496 -21.5063 -2.19028 28.9597 -2.1903 8.33089 GPRESSAVG: 4310200 57.2823 -96.2762 29.9634 -94.8889 -21.0178 -2.91719 26.453 -3.08883 8.59075 TIMING: 4310200 CPU: 13464.1, 0.00316074/step Wall: 13464.1, 0.00316074/step, 0.605634 hours remaining, 234.464844 MB of memory in use. ENERGY: 4310200 3950.5477 20773.6130 14523.7452 233.6900 -203395.3301 3029.3394 0.0000 0.0000 51667.4639 -109216.9309 296.9336 -160884.3948 -108852.9458 299.3788 355.4160 378.4439 760964.0851 14.9408 14.9518 PRESSURE: 4310400 -43.2305 -83.8715 -203.427 -83.8715 219.849 54.9611 -203.428 54.9618 -41.0424 GPRESSURE: 4310400 -32.1221 6.46552 -237.989 -139.957 241.195 49.7243 -88.8564 56.158 4.48129 PRESSAVG: 4310400 27.8151 -11.9035 19.6716 -11.9034 -14.7559 -5.13584 19.6716 -5.1359 -24.6694 GPRESSAVG: 4310400 27.9901 -12.0547 21.3615 -12.283 -15.8718 -2.95482 19.3054 -4.2045 -24.3895 TIMING: 4310400 CPU: 13464.7, 0.00313084/step Wall: 13464.7, 0.00313084/step, 0.599731 hours remaining, 234.464844 MB of memory in use. ENERGY: 4310400 3945.5838 20613.3827 14515.5205 242.0934 -203066.0321 2454.7512 0.0000 0.0000 52098.5202 -109196.1803 299.4109 -161294.7005 -108828.6866 299.4333 45.1921 71.1847 761936.7357 -3.8701 -4.0904 PRESSURE: 4310600 292.226 -138.752 258.685 -138.752 -119.553 -26.2859 258.685 -26.2854 -14.6922 GPRESSURE: 4310600 234.187 -121.042 231.797 -102.353 6.09713 -5.27187 230.684 23.1899 -11.803 PRESSAVG: 4310600 10.9216 -37.9051 72.2043 -37.905 -14.5906 -14.4922 72.2043 -14.4922 -29.0017 GPRESSAVG: 4310600 10.6619 -37.7336 71.2268 -36.4762 -13.503 -16.1127 71.8339 -15.385 -29.3556 TIMING: 4310600 CPU: 13465.4, 0.00315091/step Wall: 13465.4, 0.00315091/step, 0.603398 hours remaining, 234.464844 MB of memory in use. ENERGY: 4310600 3940.8172 20640.8462 14537.1612 242.3451 -203319.4612 2844.5002 0.0000 0.0000 52088.2545 -109025.5368 299.3519 -161113.7913 -108664.1243 299.8566 52.6603 76.1603 761773.8452 -10.8902 -10.7322 PRESSURE: 4310800 -27.3187 -75.0085 -70.2234 -75.0084 -110.104 32.5417 -70.2234 32.5422 196.788 GPRESSURE: 4310800 -26.9135 -9.16175 -208.494 -194.951 -107.008 26.7918 -29.3623 -94.1535 268.812 PRESSAVG: 4310800 13.8155 -21.992 -33.1093 -21.9921 -2.16758 -15.3264 -33.1094 -15.3265 20.4732 GPRESSAVG: 4310800 13.7275 -19.4883 -34.2771 -24.5527 -2.09899 -14.9541 -33.6347 -13.6594 21.1949 TIMING: 4310800 CPU: 13466, 0.00314361/step Wall: 13466, 0.00314361/step, 0.601827 hours remaining, 234.464844 MB of memory in use. ENERGY: 4310800 3967.1825 20630.5569 14565.3106 245.3042 -203797.5310 2821.6219 0.0000 0.0000 52328.2341 -109239.3209 300.7311 -161567.5549 -108878.3242 299.5092 19.7886 44.9636 760288.5075 10.7070 10.9411 PRESSURE: 4311000 -525.325 -140.858 -157.951 -140.859 -246.884 -199.366 -157.951 -199.367 -392.15 GPRESSURE: 4311000 -368.922 -185.148 -88.3324 -122.236 -271.449 -242.439 -249.5 -177.843 -448.74 PRESSAVG: 4311000 -20.262 -48.1756 -24.5878 -48.1756 42.0858 -29.8138 -24.5878 -29.8137 3.90724 GPRESSAVG: 4311000 -18.6915 -50.5652 -23.5187 -47.238 40.4395 -30.4549 -23.4028 -31.1887 3.62843 TIMING: 4311000 CPU: 13466.6, 0.0031371/step Wall: 13466.6, 0.0031371/step, 0.600407 hours remaining, 234.464844 MB of memory in use. ENERGY: 4311000 3940.0433 20721.3588 14470.4134 248.7983 -203322.0284 2611.7886 0.0000 0.0000 52024.5753 -109305.0508 298.9859 -161329.6261 -108944.0627 299.0270 -388.1195 -363.0370 762221.0838 8.5770 8.4588 PRESSURE: 4311200 -57.1513 -55.4835 -140.33 -55.4836 -91.3779 -20.7776 -140.33 -20.7777 5.48741 GPRESSURE: 4311200 0.124397 -51.5196 -281.376 -81.2549 -20.0464 -42.5356 -86.7337 -30.4604 -29.7784 PRESSAVG: 4311200 37.9433 -85.4603 -23.5844 -85.4603 14.2683 -20.0216 -23.5844 -20.0217 -7.87296 GPRESSAVG: 4311200 37.2643 -84.7853 -25.5241 -84.8835 15.6764 -19.8628 -22.7663 -20.4527 -8.63817 TIMING: 4311200 CPU: 13467.2, 0.00311126/step Wall: 13467.2, 0.00311126/step, 0.595288 hours remaining, 234.464844 MB of memory in use. ENERGY: 4311200 3979.2401 20566.5405 14555.1729 237.2892 -203131.7887 2548.2310 0.0000 0.0000 52285.9701 -108959.3450 300.4882 -161245.3150 -108597.2551 299.7283 -47.6806 -16.5668 761193.8242 14.7795 14.7675 PRESSURE: 4311400 160.592 146.392 46.4716 146.391 -133.12 -62.7869 46.4725 -62.7868 120.712 GPRESSURE: 4311400 208.625 46.3471 173.899 91.8379 -55.6765 21.0611 5.27786 -132.173 56.8787 PRESSAVG: 4311400 21.8268 -58.1485 -24.2907 -58.1485 -44.7799 45.1992 -24.2907 45.1992 -0.856652 GPRESSAVG: 4311400 20.7727 -59.3581 -22.8284 -57.5417 -43.474 46.07 -25.0497 45.591 -1.03612 TIMING: 4311400 CPU: 13467.9, 0.00311871/step Wall: 13467.9, 0.00311871/step, 0.59654 hours remaining, 234.464844 MB of memory in use. ENERGY: 4311400 3970.4711 20679.0378 14464.8244 232.5219 -203526.7883 2960.8946 0.0000 0.0000 52237.5006 -108981.5378 300.2096 -161219.0385 -108624.2582 300.0706 49.3945 69.9425 762859.9115 -7.9366 -7.9125 PRESSURE: 4311600 -194.529 -13.5519 -42.1149 -13.5519 -386.357 206.474 -42.1142 206.476 165.309 GPRESSURE: 4311600 -172.908 -24.56 -89.4408 40.8584 -312.818 303.567 -24.6979 151.131 150.471 PRESSAVG: 4311600 42.0369 -33.9186 19.393 -33.9186 -54.6712 2.12726 19.393 2.12724 35.2117 GPRESSAVG: 4311600 43.3696 -32.4427 19.1916 -34.2559 -55.0233 1.12461 19.0902 3.7948 34.8643 TIMING: 4311600 CPU: 13468.5, 0.00314956/step Wall: 13468.5, 0.00314956/step, 0.602266 hours remaining, 234.464844 MB of memory in use. ENERGY: 4311600 3960.9027 20570.9602 14508.8792 241.5837 -203105.7707 2731.4012 0.0000 0.0000 52124.9947 -108967.0491 299.5631 -161092.0438 -108594.6284 299.8783 -138.5255 -111.7517 763372.4948 7.5258 7.7369 PRESSURE: 4311800 37.784 12.3643 -222.219 12.3644 -79.5033 -180.818 -222.219 -180.819 258.989 GPRESSURE: 4311800 85.8737 65.6756 -85.5085 22.8608 -38.0992 -327.561 -104.699 -261.207 249.698 PRESSAVG: 4311800 31.5132 -8.28323 8.842 -8.28329 -50.3921 29.5332 8.842 29.5332 15.1146 GPRESSAVG: 4311800 31.9584 -10.0249 7.72973 -7.43837 -50.648 28.3956 11.0777 25.1479 14.9795 TIMING: 4311800 CPU: 13469.1, 0.00314868/step Wall: 13469.1, 0.00314868/step, 0.601923 hours remaining, 234.464844 MB of memory in use. ENERGY: 4311800 4003.0812 20740.2829 14545.7022 233.8079 -202979.0324 2606.2322 0.0000 0.0000 51916.1563 -108933.7697 298.3629 -160849.9260 -108578.7502 299.4382 72.4231 99.1576 761955.7498 -1.2548 -1.2367 PRESSURE: 4312000 -32.8892 -46.0329 67.9503 -46.0332 246.029 17.4485 67.9504 17.4485 119.993 GPRESSURE: 4312000 -19.5999 -43.1478 -14.7254 -99.6988 314.96 15.8404 71.9351 43.7394 142.391 PRESSAVG: 4312000 -21.4031 -49.8477 31.0682 -49.8477 -6.03387 11.8186 31.0682 11.8186 15.4307 GPRESSAVG: 4312000 -21.4353 -48.9039 32.4826 -51.0521 -6.37284 11.8863 28.5004 14.7173 16.1428 TIMING: 4312000 CPU: 13469.7, 0.00314767/step Wall: 13469.7, 0.00314767/step, 0.601555 hours remaining, 234.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4312000 4042.5409 20405.2132 14497.5819 253.1632 -203062.8432 2583.0675 0.0000 0.0000 52162.2599 -109119.0167 299.7772 -161281.2765 -108763.2511 299.5175 111.0443 145.9169 763263.4779 -4.0021 -3.8884 PRESSURE: 4312200 317.233 23.3872 13.4946 23.3874 -152.1 -103.998 13.4953 -103.998 321.595 GPRESSURE: 4312200 413.334 6.33182 12.1903 44.1582 -169.739 -90.6282 47.2779 -175.934 319.204 PRESSAVG: 4312200 -24.0603 -50.2951 -21.6051 -50.2952 6.70402 -17.2199 -21.6051 -17.22 -7.20135 GPRESSAVG: 4312200 -24.7922 -49.7306 -23.1292 -50.3446 7.256 -16.7194 -19.9078 -16.9363 -7.04843 TIMING: 4312200 CPU: 13470.4, 0.00313938/step Wall: 13470.4, 0.00313938/step, 0.599796 hours remaining, 234.464844 MB of memory in use. ENERGY: 4312200 4064.6988 20554.1112 14476.8224 231.6313 -203158.8451 2695.6388 0.0000 0.0000 52213.2523 -108922.6904 300.0703 -161135.9426 -108567.1268 299.4262 162.2424 187.5999 762031.5863 -8.1859 -8.1949 LDB: ============= START OF LOAD BALANCING ============== 13482.9 LDB: ============== END OF LOAD BALANCING =============== 13482.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13482.9 LDB: ============= START OF LOAD BALANCING ============== 13483.2 LDB: Largest compute 7030 load 0.030094 is 15.4% of average load 0.195336 LDB: Average compute 0.004397 is 2.3% of average load 0.195336 LDB: TIME 13483.2 LOAD: AVG 0.195336 MAX 0.21648 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.031 MB LDB: TIME 13483.2 LOAD: AVG 0.195336 MAX 0.21648 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.234 MB LDB: TIME 13483.2 LOAD: AVG 0.195336 MAX 0.21648 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.234 MB LDB: ============== END OF LOAD BALANCING =============== 13483.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13483.2 PRESSURE: 4312400 -151.355 13.1794 -42.1876 13.1798 -96.8493 101.539 -42.1878 101.541 -442.376 GPRESSURE: 4312400 -130.488 41.4049 15.2031 113.839 -119.118 174.302 41.6416 -3.44968 -355.974 PRESSAVG: 4312400 29.3835 -76.9276 -20.6511 -76.9277 -55.328 -5.0584 -20.6511 -5.05839 1.91992 GPRESSAVG: 4312400 29.7273 -76.9143 -20.0478 -75.9548 -55.2234 -4.68003 -18.9191 -4.36483 1.02825 TIMING: 4312400 CPU: 13471, 0.00321058/step Wall: 13471, 0.00321058/step, 0.613221 hours remaining, 233.546875 MB of memory in use. ENERGY: 4312400 4076.4020 20613.9746 14464.8503 249.3833 -203231.9440 2766.3842 0.0000 0.0000 52011.4884 -109049.4611 298.9107 -161060.9495 -108691.8464 299.7274 -230.1932 -201.8597 763662.6952 -8.0082 -8.1560 PRESSURE: 4312600 -185.458 -88.0235 -163.995 -88.0235 -106.418 29.813 -163.995 29.814 -310.766 GPRESSURE: 4312600 -139.259 -55.43 -203.552 -45.8183 -165.123 -18.8695 -123.025 98.0074 -218.08 PRESSAVG: 4312600 48.3525 -6.35937 -53.6734 -6.35937 -12.239 -22.0752 -53.6734 -22.0752 14.1584 GPRESSAVG: 4312600 48.6178 -6.57618 -55.0978 -5.69501 -13.0119 -22.043 -54.7754 -23.8768 15.218 TIMING: 4312600 CPU: 13471.6, 0.00314581/step Wall: 13471.6, 0.00314581/step, 0.600675 hours remaining, 233.750000 MB of memory in use. ENERGY: 4312600 4009.1938 20555.7477 14465.7997 235.0446 -203399.7039 2895.8416 0.0000 0.0000 52237.7476 -109000.3289 300.2111 -161238.0764 -108636.6991 299.3690 -200.8810 -174.1541 763632.8657 16.7573 16.9413 PRESSURE: 4312800 -22.2166 23.9632 -270.202 23.9636 -204.879 166.917 -270.203 166.918 123.368 GPRESSURE: 4312800 92.7752 71.6139 -227.313 -30.574 -179.861 135.619 -123.512 307.617 72.3321 PRESSAVG: 4312800 62.9716 -24.4128 -33.1201 -24.4128 -73.8708 -17.4584 -33.12 -17.4584 24.1864 GPRESSAVG: 4312800 63.6331 -23.8151 -32.0442 -26.973 -72.9596 -19.8213 -33.3505 -15.4973 23.1804 TIMING: 4312800 CPU: 13472.3, 0.00313453/step Wall: 13472.3, 0.00313453/step, 0.598347 hours remaining, 233.808594 MB of memory in use. ENERGY: 4312800 4038.2193 20689.6014 14392.6742 245.7760 -203246.3654 2927.7514 0.0000 0.0000 52006.2007 -108946.1424 298.8803 -160952.3431 -108578.3413 299.5183 -34.5761 -4.9179 762984.4613 4.4291 4.6180 PRESSURE: 4313000 242.642 5.12158 -67.496 5.12074 344.871 163.704 -67.497 163.704 484.709 GPRESSURE: 4313000 243.915 14.2162 -35.7198 46.3796 441.595 132.585 -110.141 51.1475 478.182 PRESSAVG: 4313000 74.0376 -23.1664 -15.6508 -23.1664 -58.4468 16.6643 -15.6508 16.6643 11.9693 GPRESSAVG: 4313000 73.8358 -23.6038 -14.9024 -21.5846 -57.4584 17.4406 -14.7829 15.5852 11.3303 TIMING: 4313000 CPU: 13472.9, 0.0031227/step Wall: 13472.9, 0.0031227/step, 0.595914 hours remaining, 233.875000 MB of memory in use. ENERGY: 4313000 4074.4023 20524.5483 14457.6282 238.2822 -203136.4792 2772.2867 0.0000 0.0000 51843.5537 -109225.7778 297.9456 -161069.3315 -108868.6345 300.0664 357.4074 387.8974 761543.5637 9.1867 9.2359 PRESSURE: 4313200 279.571 188.812 334.228 188.813 -95.6679 -181.503 334.228 -181.503 301.27 GPRESSURE: 4313200 306.868 96.3795 235.477 158.331 63.9773 -151.845 247.256 -177.496 190.681 PRESSAVG: 4313200 35.6185 -6.301 -17.3492 -6.30099 -7.96616 -19.4292 -17.3492 -19.4292 -4.56512 GPRESSAVG: 4313200 35.4907 -5.91359 -17.1671 -7.13817 -8.59833 -18.4686 -18.8648 -19.2402 -3.72962 TIMING: 4313200 CPU: 13473.5, 0.00313893/step Wall: 13473.5, 0.00313893/step, 0.598838 hours remaining, 233.875000 MB of memory in use. ENERGY: 4313200 3979.7233 20526.1290 14422.9752 251.4414 -203095.5238 2755.2996 0.0000 0.0000 51993.0192 -109166.9361 298.8046 -161159.9553 -108802.3123 298.9264 161.7245 187.1752 761338.6880 7.6957 7.7209 PRESSURE: 4313400 84.9049 116.648 33.4476 116.648 -145.911 40.6992 33.4475 40.6982 450.592 GPRESSURE: 4313400 126.103 49.0225 69.4954 105.112 -101.456 38.1566 -1.45311 64.6637 450.62 PRESSAVG: 4313400 32.2504 -23.0303 -33.3781 -23.0303 -33.1683 -28.3032 -33.3781 -28.3031 4.87727 GPRESSAVG: 4313400 33.1898 -23.9964 -33.5149 -23.899 -33.7604 -27.8847 -35.5066 -27.4641 4.52939 TIMING: 4313400 CPU: 13474.1, 0.00311539/step Wall: 13474.1, 0.00311539/step, 0.594175 hours remaining, 233.875000 MB of memory in use. ENERGY: 4313400 4035.2840 20392.7648 14434.1777 240.0780 -203283.3245 2748.1623 0.0000 0.0000 51966.8472 -109466.0107 298.6542 -161432.8578 -109093.8254 298.4584 129.8619 158.4224 763010.7679 1.3198 1.3196 PRESSURE: 4313600 -119.263 5.38229 -151.298 5.3821 129.81 -57.4883 -151.299 -57.4883 93.3905 GPRESSURE: 4313600 -124.032 28.4745 -227.203 -59.5448 25.7286 -103.629 -113.336 -21.2193 274.69 PRESSAVG: 4313600 40.0525 -6.16115 -29.3992 -6.16124 -12.3102 -68.8753 -29.3992 -68.8753 7.76575 GPRESSAVG: 4313600 39.2359 -5.48703 -29.0717 -6.86321 -13.0993 -69.6528 -26.7398 -68.4671 8.53251 TIMING: 4313600 CPU: 13474.8, 0.00312759/step Wall: 13474.8, 0.00312759/step, 0.596327 hours remaining, 233.875000 MB of memory in use. ENERGY: 4313600 4023.3240 20465.4637 14460.1886 250.7448 -203382.2163 2771.3556 0.0000 0.0000 51903.7314 -109507.4082 298.2915 -161411.1396 -109148.1830 298.5155 34.6457 58.7957 763327.4689 11.8360 11.5564 PRESSURE: 4313800 118.328 342.726 -183.915 342.725 46.333 -31.2346 -183.916 -31.2341 20.3564 GPRESSURE: 4313800 177.846 294.803 -125.97 322.451 85.8151 -90.5719 -107.578 -69.1653 -3.76194 PRESSAVG: 4313800 17.1985 -22.1087 -7.00915 -22.1087 1.52797 -53.2985 -7.0092 -53.2986 16.3322 GPRESSAVG: 4313800 17.7761 -24.4953 -7.56342 -19.9193 1.69186 -54.3556 -7.51997 -53.7956 15.2748 TIMING: 4313800 CPU: 13475.4, 0.0031297/step Wall: 13475.4, 0.0031297/step, 0.596556 hours remaining, 233.875000 MB of memory in use. ENERGY: 4313800 4039.0153 20473.2747 14422.8826 249.2426 -203409.4285 2645.9838 0.0000 0.0000 52255.2657 -109323.7639 300.3117 -161579.0295 -108962.2249 299.1549 61.6724 86.6332 761607.6672 11.6862 11.5809 PRESSURE: 4314000 71.5843 129.584 42.2241 129.583 354.344 159.227 42.2234 159.228 283.358 GPRESSURE: 4314000 175.246 136.423 60.3082 112.083 308.511 115.301 107.618 149.85 309.209 PRESSAVG: 4314000 79.7563 -12.3107 -37.1705 -12.3107 -91.6613 11.7942 -37.1705 11.7942 -1.9889 GPRESSAVG: 4314000 78.9575 -11.11 -37.285 -12.8976 -90.375 13.1273 -36.5116 11.4221 -2.20242 TIMING: 4314000 CPU: 13476, 0.00311266/step Wall: 13476, 0.00311266/step, 0.593135 hours remaining, 233.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4314000 3932.7688 20407.4817 14523.2494 244.4878 -203235.3638 2707.8064 0.0000 0.0000 52053.0932 -109366.4764 299.1498 -161419.5696 -108997.2947 299.2728 236.4289 264.3217 761198.5303 -4.6313 -4.5400 PRESSURE: 4314200 -6.9212 92.4654 41.6178 92.4666 -199.842 -205.684 41.6181 -205.683 306.895 GPRESSURE: 4314200 46.8606 152.678 77.6159 134.73 -147.924 -152.926 10.8523 -147.04 263.66 PRESSAVG: 4314200 52.6238 -24.7687 -1.84586 -24.7687 -50.7823 -25.6931 -1.84588 -25.6931 -4.21637 GPRESSAVG: 4314200 52.8875 -24.3706 0.848222 -24.3592 -51.139 -26.511 -3.78612 -24.5863 -4.10495 TIMING: 4314200 CPU: 13476.6, 0.00312979/step Wall: 13476.6, 0.00312979/step, 0.596225 hours remaining, 233.875000 MB of memory in use. ENERGY: 4314200 4075.7193 20391.1890 14437.5460 240.0140 -203387.8984 2651.6647 0.0000 0.0000 52101.0620 -109490.7033 299.4255 -161591.7654 -109119.9029 298.7580 33.3772 54.1989 761398.0270 -0.7916 -0.7855 PRESSURE: 4314400 -219.812 -139.598 82.2903 -139.598 -98.5962 -63.1316 82.2905 -63.1329 -315.643 GPRESSURE: 4314400 -153.033 -79.0332 14.6794 -75.3967 -99.2187 -74.0112 -27.7369 -53.2136 -330.703 PRESSAVG: 4314400 49.2656 -46.0252 -8.2025 -46.0251 -50.3076 -2.21956 -8.2024 -2.21961 11.389 GPRESSAVG: 4314400 48.7418 -45.7475 -10.1683 -45.9784 -50.6738 -1.91072 -7.73198 -1.6138 11.86 TIMING: 4314400 CPU: 13477.3, 0.00313627/step Wall: 13477.3, 0.00313627/step, 0.597286 hours remaining, 233.875000 MB of memory in use. ENERGY: 4314400 3975.3380 20499.3867 14513.5049 236.0962 -203198.9523 2475.3395 0.0000 0.0000 51973.2222 -109526.0648 298.6908 -161499.2870 -109160.4799 298.8507 -211.3504 -194.3183 761382.1941 3.4490 3.3093 PRESSURE: 4314600 461.216 192.489 -13.5882 192.489 -45.8663 -44.8942 -13.5877 -44.893 169.009 GPRESSURE: 4314600 452.479 85.7892 2.40219 113.774 87.3476 -72.8152 -47.0661 -96.5346 158.822 PRESSAVG: 4314600 8.6321 -43.8474 -72.1015 -43.8474 27.7875 -14.6079 -72.1015 -14.6079 -14.2682 GPRESSAVG: 4314600 8.82935 -42.4414 -71.5715 -45.423 27.9752 -13.4921 -70.0122 -16.9571 -14.756 TIMING: 4314600 CPU: 13477.9, 0.00312283/step Wall: 13477.9, 0.00312283/step, 0.594552 hours remaining, 233.875000 MB of memory in use. ENERGY: 4314600 3956.5962 20414.4379 14502.2259 245.5860 -203052.4716 2740.7405 0.0000 0.0000 51640.8269 -109552.0582 296.7805 -161192.8850 -109194.5431 298.2448 194.7861 232.8826 763048.0331 7.3838 7.3495 PRESSURE: 4314800 282.188 -111.388 -116.581 -111.387 -60.9454 7.85855 -116.58 7.85875 -201.434 GPRESSURE: 4314800 235.51 -160.932 -202.806 -79.3105 -49.829 -56.3122 -45.2871 -63.2468 -93.295 PRESSAVG: 4314800 6.28119 -16.2282 -14.6685 -16.2282 36.751 -5.02545 -14.6685 -5.02551 -9.45216 GPRESSAVG: 4314800 6.85041 -17.5409 -14.0988 -16.1729 36.5925 -6.49167 -16.1399 -5.91442 -9.7724 TIMING: 4314800 CPU: 13478.5, 0.00312798/step Wall: 13478.5, 0.00312798/step, 0.595358 hours remaining, 233.875000 MB of memory in use. ENERGY: 4314800 3999.6910 20529.0066 14539.4657 239.7211 -203332.6535 2544.6737 0.0000 0.0000 52129.1246 -109350.9706 299.5868 -161480.0953 -108980.7435 298.2764 6.6029 30.7954 763470.1045 11.1933 11.2235 PRESSURE: 4315000 -85.5699 -139.1 8.7421 -139.1 -26.8805 -32.7487 8.74237 -32.7492 132.037 GPRESSURE: 4315000 -21.9509 -213.678 141.313 -38.6947 17.32 -31.9165 -54.1451 -147.838 110.948 PRESSAVG: 4315000 33.9654 -10.6602 -15.8467 -10.6603 -9.93937 -29.3423 -15.8467 -29.3424 -2.32724 GPRESSAVG: 4315000 33.8802 -9.87704 -14.2593 -9.49648 -10.698 -28.2208 -15.0229 -28.2394 -1.89197 TIMING: 4315000 CPU: 13479.1, 0.00312791/step Wall: 13479.1, 0.00312791/step, 0.595171 hours remaining, 233.875000 MB of memory in use. ENERGY: 4315000 3968.3064 20617.3632 14458.5968 253.8811 -203264.8048 2652.3014 0.0000 0.0000 51655.5271 -109658.8288 296.8650 -161314.3559 -109299.6950 298.7945 6.5289 35.4390 764771.6249 7.2329 7.0967 PRESSURE: 4315200 -310.321 -61.217 -27.915 -61.2178 -66.8128 -41.3475 -27.9137 -41.3477 -512.951 GPRESSURE: 4315200 -239.332 -154.698 -78.4682 -20.0189 -94.1972 0.696411 7.8374 -106.885 -466.201 PRESSAVG: 4315200 23.7372 -19.0686 -21.5407 -19.0685 -34.6386 -39.3762 -21.5407 -39.3762 1.57808 GPRESSAVG: 4315200 24.5264 -19.8469 -23.7996 -19.6274 -35.1691 -40.8939 -20.7006 -39.4467 1.16332 TIMING: 4315200 CPU: 13479.8, 0.00311741/step Wall: 13479.8, 0.00311741/step, 0.593001 hours remaining, 233.875000 MB of memory in use. ENERGY: 4315200 4054.1588 20381.8616 14489.4645 259.3753 -203282.0988 2691.0438 0.0000 0.0000 52085.3105 -109320.8844 299.3350 -161406.1948 -108961.9017 298.2429 -296.6950 -266.5768 763024.9922 -3.1078 -3.1598 PRESSURE: 4315400 14.2942 39.7425 -166.151 39.7423 121.278 -169.258 -166.151 -169.258 -69.6703 GPRESSURE: 4315400 -0.38598 -12.7269 -216.928 33.882 180.115 -55.0879 -120.48 -284.862 -49.5821 PRESSAVG: 4315400 -33.2024 -11.4956 -21.3297 -11.4956 13.7899 -4.26039 -21.3297 -4.2604 -20.9312 GPRESSAVG: 4315400 -34.5855 -12.2122 -19.8613 -11.3088 14.5772 -3.40389 -22.4353 -3.70437 -19.7591 TIMING: 4315400 CPU: 13480.4, 0.00314143/step Wall: 13480.4, 0.00314143/step, 0.597395 hours remaining, 233.875000 MB of memory in use. ENERGY: 4315400 3966.8227 20403.0790 14507.7287 245.6819 -203114.0848 2637.8914 0.0000 0.0000 52070.9764 -109281.9047 299.2526 -161352.8811 -108910.6388 298.7339 21.9672 43.3822 762077.0255 -13.4479 -13.2558 PRESSURE: 4315600 -37.5545 -0.442614 139.962 -0.442869 44.6763 -87.0727 139.963 -87.0725 -336.975 GPRESSURE: 4315600 69.6182 -22.5847 78.0259 85.0663 -7.85416 9.58671 35.1956 -27.9909 -304.366 PRESSAVG: 4315600 -3.80616 13.5156 -28.6456 13.5156 24.1901 20.8893 -28.6455 20.8893 -14.4264 GPRESSAVG: 4315600 -3.49942 14.8842 -30.2539 14.5193 24.2051 21.2054 -27.2848 19.1387 -14.8034 TIMING: 4315600 CPU: 13481, 0.00315364/step Wall: 13481, 0.00315364/step, 0.599542 hours remaining, 233.875000 MB of memory in use. ENERGY: 4315600 3993.7266 20545.0155 14475.8000 241.5398 -202598.5317 2243.8881 0.0000 0.0000 52066.2750 -109032.2866 299.2256 -161098.5617 -108670.1221 299.0303 -109.9511 -80.8674 763154.5552 1.9858 1.9674 PRESSURE: 4315800 -116.706 -1.60033 159.857 -1.59986 -126.98 32.4182 159.857 32.4174 -143.769 GPRESSURE: 4315800 -138.967 -16.2931 118.287 -52.4228 -113.931 102.013 73.6319 34.876 -40.2294 PRESSAVG: 4315800 84.1012 -51.4642 -1.58817 -51.4641 -39.3737 -51.2843 -1.58816 -51.2842 3.34702 GPRESSAVG: 4315800 84.9282 -50.8527 -0.913916 -52.1755 -40.3191 -52.5213 -3.34776 -49.2709 3.07242 TIMING: 4315800 CPU: 13481.7, 0.00314093/step Wall: 13481.7, 0.00314093/step, 0.596951 hours remaining, 233.875000 MB of memory in use. ENERGY: 4315800 4033.5029 20612.0207 14432.3493 247.6420 -202776.5515 2483.5619 0.0000 0.0000 51969.3510 -108998.1236 298.6686 -160967.4746 -108645.6546 299.4887 -129.1517 -97.7091 762265.1454 16.0248 15.8938 PRESSURE: 4316000 185.65 -101.306 125.732 -101.307 -165.753 142.451 125.731 142.451 -533.398 GPRESSURE: 4316000 215.147 -87.0389 129.608 -131.36 -99.1145 127.236 -34.7005 159.298 -552.34 PRESSAVG: 4316000 1.46853 -72.0472 25.5727 -72.0472 19.4074 0.339009 25.5727 0.339042 -12.1038 GPRESSAVG: 4316000 0.326804 -73.1276 25.3916 -72.1813 20.3135 1.48416 24.2407 0.146838 -11.8333 TIMING: 4316000 CPU: 13482.3, 0.00311051/step Wall: 13482.3, 0.00311051/step, 0.590997 hours remaining, 233.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4316000 4049.4853 20487.9287 14519.1523 238.3323 -202853.7489 2562.3704 0.0000 0.0000 51882.8665 -109113.6133 298.1715 -160996.4798 -108751.6879 299.1613 -171.1670 -145.4359 763323.7322 2.9241 2.9357 PRESSURE: 4316200 -7.28761 22.652 -131.592 22.6512 -14.5012 -289.268 -131.591 -289.269 -61.971 GPRESSURE: 4316200 151.146 -4.75929 -94.6732 28.1429 -117.779 -313.748 -146.103 -306.305 -21.2436 PRESSAVG: 4316200 10.6692 -25.021 3.79761 -25.0209 -51.491 -27.9774 3.79763 -27.9774 -11.3793 GPRESSAVG: 4316200 11.0697 -26.6172 4.92059 -25.4157 -52.128 -27.3172 5.87259 -29.8692 -11.5386 TIMING: 4316200 CPU: 13482.9, 0.00315286/step Wall: 13482.9, 0.00315286/step, 0.598868 hours remaining, 233.875000 MB of memory in use. ENERGY: 4316200 3966.0300 20546.2260 14474.7186 236.7448 -202803.9463 2619.9188 0.0000 0.0000 51860.1377 -109100.1703 298.0409 -160960.3081 -108737.3517 298.7899 -27.9199 4.0411 763405.6737 -17.4004 -17.5323 LDB: ============= START OF LOAD BALANCING ============== 13495.4 LDB: ============== END OF LOAD BALANCING =============== 13495.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13495.4 LDB: ============= START OF LOAD BALANCING ============== 13495.7 LDB: Largest compute 7030 load 0.031218 is 16.0% of average load 0.195290 LDB: Average compute 0.004388 is 2.2% of average load 0.195290 LDB: TIME 13495.7 LOAD: AVG 0.19529 MAX 0.214818 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.32 MB LDB: TIME 13495.7 LOAD: AVG 0.19529 MAX 0.214818 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.324 MB LDB: TIME 13495.7 LOAD: AVG 0.19529 MAX 0.214818 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.324 MB LDB: ============== END OF LOAD BALANCING =============== 13495.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13495.7 PRESSURE: 4316400 138.57 -199.327 171.823 -199.328 -66.8326 -84.1552 171.823 -84.1544 -277.924 GPRESSURE: 4316400 168.55 -310.877 279.751 -162.527 -74.1132 -69.1945 171.093 38.7057 -225.987 PRESSAVG: 4316400 21.9717 -24.2544 -3.67646 -24.2544 -30.6165 19.7614 -3.67647 19.7614 -1.32867 GPRESSAVG: 4316400 22.8075 -24.2397 -5.16517 -23.4446 -30.415 19.5785 -3.06968 20.6609 -2.32464 TIMING: 4316400 CPU: 13483.6, 0.00322029/step Wall: 13483.6, 0.00322029/step, 0.611498 hours remaining, 234.453125 MB of memory in use. ENERGY: 4316400 4055.9230 20441.0699 14471.2280 244.0727 -202964.0858 2641.7127 0.0000 0.0000 51991.6048 -109118.4748 298.7965 -161110.0796 -108759.1425 299.3612 -68.7291 -43.8498 764585.3280 -3.3245 -3.3107 PRESSURE: 4316600 113.455 114.945 26.9192 114.945 200.261 116.759 26.9194 116.758 -245.91 GPRESSURE: 4316600 149.663 142.85 42.8574 -6.0572 230.191 140.782 175.712 90.8575 -229.93 PRESSAVG: 4316600 29.0967 20.9638 -19.5687 20.9638 -8.69935 18.2712 -19.5687 18.2712 27.1072 GPRESSAVG: 4316600 28.2295 22.6813 -18.5602 19.6479 -7.8481 15.3049 -22.2102 20.1987 27.1296 TIMING: 4316600 CPU: 13484.2, 0.00312818/step Wall: 13484.2, 0.00312818/step, 0.593834 hours remaining, 234.460938 MB of memory in use. ENERGY: 4316600 3995.3399 20545.1668 14484.2860 240.6787 -203376.9855 2876.2871 0.0000 0.0000 52047.4187 -109187.8083 299.1172 -161235.2270 -108831.7382 299.4866 22.6018 49.9745 763104.2279 15.8349 15.8370 PRESSURE: 4316800 -151.805 -129.148 -174.801 -129.148 -316.321 -25.5764 -174.801 -25.5762 439.085 GPRESSURE: 4316800 -22.684 -155.754 -186.251 -185.9 -192.676 -38.2637 -119.851 -97.4048 272.881 PRESSAVG: 4316800 22.1045 10.0196 -1.31341 10.0196 3.02166 -27.6005 -1.31337 -27.6005 -6.08085 GPRESSAVG: 4316800 22.753 7.07866 -3.03313 10.7703 1.77517 -24.8955 2.52871 -25.824 -5.20123 TIMING: 4316800 CPU: 13484.8, 0.0031251/step Wall: 13484.8, 0.0031251/step, 0.593075 hours remaining, 234.460938 MB of memory in use. ENERGY: 4316800 4091.8886 20497.8267 14440.1086 235.2852 -202988.7395 2503.1299 0.0000 0.0000 51983.6245 -109236.8760 298.7506 -161220.5005 -108878.1018 299.2962 -9.6803 19.1734 762720.8941 6.3484 6.4423 PRESSURE: 4317000 176.104 -46.1813 17.4114 -46.1817 -0.2732 133.556 17.4107 133.556 407.8 GPRESSURE: 4317000 193.709 20.3633 -23.0529 -70.3341 2.10263 71.3765 -94.9078 71.6513 448.261 PRESSAVG: 4317000 45.481 -66.6301 -19.9254 -66.6301 -10.575 -22.2845 -19.9254 -22.2845 -7.33767 GPRESSAVG: 4317000 44.8814 -64.1579 -20.5434 -66.5303 -9.59718 -23.8656 -21.8214 -25.4548 -7.73524 TIMING: 4317000 CPU: 13485.4, 0.00312606/step Wall: 13485.4, 0.00312606/step, 0.593083 hours remaining, 234.460938 MB of memory in use. ENERGY: 4317000 3976.7982 20414.1298 14419.0455 250.4673 -202786.7161 2551.0693 0.0000 0.0000 51796.3798 -109378.8263 297.6745 -161175.2061 -109013.7980 299.3057 194.5433 214.6909 762667.3433 9.1894 9.1830 PRESSURE: 4317200 -366.987 172.377 -207.783 172.378 -62.5164 236.809 -207.783 236.81 2.01949 GPRESSURE: 4317200 -335.603 71.8191 -254.913 -4.0731 -26.2318 164.71 -125.631 292.88 16.7819 PRESSAVG: 4317200 1.78882 38.9347 24.3308 38.9348 2.61921 -54.0534 24.3307 -54.0534 -3.29109 GPRESSAVG: 4317200 3.29508 38.4512 25.4875 37.2614 -0.649831 -53.9564 24.1628 -53.3164 -1.71175 TIMING: 4317200 CPU: 13486.1, 0.00315082/step Wall: 13486.1, 0.00315082/step, 0.597605 hours remaining, 234.460938 MB of memory in use. ENERGY: 4317200 4067.4695 20401.1750 14420.4044 255.3027 -203102.0978 2704.6258 0.0000 0.0000 52043.7484 -109209.3720 299.0961 -161253.1204 -108846.5703 299.0339 -142.4947 -115.0177 762893.0773 0.3723 0.3112 PRESSURE: 4317400 -0.163258 161.4 -26.2185 161.399 23.7151 22.6148 -26.2185 22.6143 35.0943 GPRESSURE: 4317400 47.5466 139.265 -23.6344 134.823 82.7986 -43.8849 -6.26571 8.87481 2.10651 PRESSAVG: 4317400 69.4182 0.923916 -2.94668 0.923907 10.3455 27.7084 -2.94674 27.7084 16.1067 GPRESSAVG: 4317400 68.1942 1.58819 -3.01786 1.46255 11.9933 27.3968 -2.49004 27.2363 16.3061 TIMING: 4317400 CPU: 13486.7, 0.00315657/step Wall: 13486.7, 0.00315657/step, 0.59852 hours remaining, 234.460938 MB of memory in use. ENERGY: 4317400 4007.3494 20557.0065 14440.1126 245.0671 -203122.2176 2466.6086 0.0000 0.0000 51958.6060 -109447.4674 298.6068 -161406.0734 -109084.1207 299.1877 19.5487 44.1506 761514.1980 31.9568 32.1645 PRESSURE: 4317600 127.573 101.191 36.0104 101.192 -145.15 -63.7921 36.0108 -63.7929 -40.5791 GPRESSURE: 4317600 209.751 -16.1149 36.0263 95.1386 -140.651 -13.7486 63.9096 -8.61224 -36.8702 PRESSAVG: 4317600 -23.4049 -42.6218 20.7766 -42.6219 41.4732 38.9728 20.7766 38.9728 23.2983 GPRESSAVG: 4317600 -23.3905 -42.949 20.1176 -42.5584 41.9861 37.0975 18.5306 39.1114 23.0545 TIMING: 4317600 CPU: 13487.3, 0.00312412/step Wall: 13487.3, 0.00312412/step, 0.592194 hours remaining, 234.460938 MB of memory in use. ENERGY: 4317600 3949.6164 20405.9610 14384.6087 262.3096 -203239.4437 2841.5721 0.0000 0.0000 51915.6466 -109479.7294 298.3599 -161395.3760 -109129.0850 298.8879 -19.3853 10.7432 763029.4724 13.7889 13.8834 PRESSURE: 4317800 -47.0327 151.942 -174.866 151.943 294.619 107.781 -174.866 107.782 -403.244 GPRESSURE: 4317800 -79.9381 119.157 -173.987 226.686 418.13 128.155 -171.39 8.75543 -401.36 PRESSAVG: 4317800 38.8016 -38.723 21.6489 -38.723 -10.6913 46.7618 21.649 46.7618 -30.6244 GPRESSAVG: 4317800 38.0777 -38.2718 21.2406 -39.7422 -10.8062 49.7794 23.8243 49.1275 -30.3432 TIMING: 4317800 CPU: 13487.9, 0.0031308/step Wall: 13487.9, 0.0031308/step, 0.593286 hours remaining, 234.460938 MB of memory in use. ENERGY: 4317800 4034.2446 20483.3694 14365.0885 229.2946 -203098.9645 2777.6778 0.0000 0.0000 51723.3510 -109485.9387 297.2548 -161209.2897 -109126.2500 298.5392 -51.8858 -21.0560 763225.6380 -0.8380 -1.0239 PRESSURE: 4318000 -178.425 -131.558 -74.2515 -131.559 -37.4252 258.612 -74.2524 258.612 -198.711 GPRESSURE: 4318000 -166.702 -13.2847 -62.5242 -133.781 -31.8261 258.894 49.4551 182.283 -155.587 PRESSAVG: 4318000 -41.6131 -34.6824 25.146 -34.6825 -27.97 8.42065 25.146 8.42068 15.1059 GPRESSAVG: 4318000 -40.4947 -37.0868 25.721 -34.123 -27.5429 9.22264 25.7541 5.05884 13.7158 TIMING: 4318000 CPU: 13488.6, 0.00311551/step Wall: 13488.6, 0.00311551/step, 0.590216 hours remaining, 234.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4318000 4056.3399 20456.0385 14511.3323 253.1428 -203221.3413 2818.6319 0.0000 0.0000 51636.2252 -109489.6306 296.7541 -161125.8558 -109131.5264 298.2106 -138.1871 -118.0383 764000.3191 -18.1591 -18.1073 PRESSURE: 4318200 370.887 -42.966 11.8676 -42.9667 425.448 -86.5308 11.868 -86.5299 76.4044 GPRESSURE: 4318200 339.221 -59.9677 -14.0979 -70.1851 491.964 -30.1264 -77.2751 -91.6037 105.51 PRESSAVG: 4318200 -22.0647 -66.234 -6.18545 -66.234 49.3085 -23.0909 -6.18545 -23.0909 -7.87941 GPRESSAVG: 4318200 -22.7443 -63.0523 -5.02189 -65.7611 49.6233 -24.0944 -6.52832 -22.8601 -7.20598 TIMING: 4318200 CPU: 13489.2, 0.00311486/step Wall: 13489.2, 0.00311486/step, 0.589921 hours remaining, 234.460938 MB of memory in use. ENERGY: 4318200 3974.7247 20533.6809 14416.8466 262.8165 -203530.3052 2767.9853 0.0000 0.0000 52202.0808 -109372.1704 300.0061 -161574.2512 -109009.5166 298.7636 290.9129 312.2319 761428.1225 6.4548 6.5577 PRESSURE: 4318400 -198.577 71.2307 -161.124 71.2294 -319.615 -93.2063 -161.123 -93.2064 269.91 GPRESSURE: 4318400 -139.045 74.7372 -171.598 116.819 -236.246 -162.76 -210.438 -23.9459 240.52 PRESSAVG: 4318400 0.0932636 -83.5762 -2.5171 -83.5761 -40.4 -48.0728 -2.51708 -48.0727 -18.6049 GPRESSAVG: 4318400 1.29617 -85.7054 -2.83068 -83.1038 -40.8641 -47.0438 -2.32008 -46.6294 -19.3296 TIMING: 4318400 CPU: 13489.8, 0.00312757/step Wall: 13489.8, 0.00312757/step, 0.592154 hours remaining, 234.460938 MB of memory in use. ENERGY: 4318400 4065.3009 20382.3832 14421.5694 251.8168 -203701.6740 3129.3700 0.0000 0.0000 52099.1881 -109352.0457 299.4147 -161451.2338 -108984.0547 299.1855 -82.7607 -44.9235 763834.4536 -19.6372 -19.6325 PRESSURE: 4318600 119.974 -329.415 103.154 -329.415 102.286 77.3837 103.153 77.384 -31.3496 GPRESSURE: 4318600 82.8973 -159.358 94.1951 -230.717 166.501 73.3483 -2.20536 45.9826 29.2213 PRESSAVG: 4318600 -37.6419 10.5593 -52.8666 10.5593 21.1873 -12.1361 -52.8665 -12.1361 -11.8615 GPRESSAVG: 4318600 -37.8096 10.9283 -52.4762 9.91178 20.3217 -11.8923 -52.5078 -13.866 -11.1417 TIMING: 4318600 CPU: 13490.4, 0.00313157/step Wall: 13490.4, 0.00313157/step, 0.592736 hours remaining, 234.460938 MB of memory in use. ENERGY: 4318600 4009.9531 20565.5817 14445.6125 266.1201 -203341.1275 2939.2937 0.0000 0.0000 51882.3651 -109232.2014 298.1687 -161114.5665 -108880.1864 299.0775 63.6369 92.8733 763112.2832 -9.4387 -9.5432 PRESSURE: 4318800 92.8511 150.841 -266.243 150.841 -219.909 127.873 -266.244 127.873 57.8458 GPRESSURE: 4318800 101.472 -6.78301 -184.53 165.501 -190.026 101.586 -220.837 94.7536 99.035 PRESSAVG: 4318800 26.8276 -37.5427 -31.5916 -37.5426 -3.72214 34.7928 -31.5916 34.7927 -24.1906 GPRESSAVG: 4318800 26.3758 -37.1754 -31.1471 -40.3152 -2.20116 35.9877 -32.4374 34.0441 -25.0063 TIMING: 4318800 CPU: 13491.1, 0.00312387/step Wall: 13491.1, 0.00312387/step, 0.591105 hours remaining, 234.460938 MB of memory in use. ENERGY: 4318800 4060.9085 20617.6325 14474.6289 244.8922 -203759.8476 2989.3507 0.0000 0.0000 52135.0534 -109237.3814 299.6209 -161372.4348 -108871.9915 299.6266 -23.0708 3.4937 763456.0526 -0.3617 -0.2772 PRESSURE: 4319000 16.6264 158.019 120.71 158.019 3.47227 116.662 120.708 116.662 -136.177 GPRESSURE: 4319000 148.031 88.9424 122.573 94.7569 27.5703 116.222 122.684 151.988 -212.149 PRESSAVG: 4319000 -2.18628 -13.8181 -6.04199 -13.8182 -26.1482 13.6139 -6.04199 13.6138 -24.8148 GPRESSAVG: 4319000 -1.6743 -13.3366 -5.38447 -14.0149 -27.2465 11.8166 -5.85193 15.8534 -24.4541 TIMING: 4319000 CPU: 13491.7, 0.00314035/step Wall: 13491.7, 0.00314035/step, 0.594049 hours remaining, 234.460938 MB of memory in use. ENERGY: 4319000 3981.9435 20653.2176 14419.5984 226.7323 -203357.3217 2719.9557 0.0000 0.0000 52208.9219 -109146.9523 300.0454 -161355.8742 -108776.4395 299.3856 -38.6927 -12.1827 764357.2429 -17.7164 -17.7916 PRESSURE: 4319200 15.9771 206.528 -85.5557 206.528 58.4734 -172.091 -85.5559 -172.092 -609.436 GPRESSURE: 4319200 37.9499 168.918 -155.774 100.661 87.7703 -15.9385 4.80767 -63.6415 -555.487 PRESSAVG: 4319200 25.9519 -41.7591 -24.4132 -41.759 -22.8427 -15.8909 -24.4132 -15.891 8.333 GPRESSAVG: 4319200 26.4138 -43.0819 -26.2451 -38.8189 -22.9555 -15.5393 -24.6046 -17.9051 8.51494 TIMING: 4319200 CPU: 13492.3, 0.00314087/step Wall: 13492.3, 0.00314087/step, 0.593973 hours remaining, 234.460938 MB of memory in use. ENERGY: 4319200 4020.9611 20365.3374 14411.7877 254.6916 -202743.0638 2420.1844 0.0000 0.0000 52098.9870 -109171.1145 299.4136 -161270.1015 -108802.9076 299.2785 -178.3284 -143.2556 763276.4702 3.8141 3.9911 PRESSURE: 4319400 -111.817 72.5886 37.9578 72.5894 -240.479 -69.2041 37.9578 -69.2037 -106.625 GPRESSURE: 4319400 -71.8947 50.7899 85.5262 77.3918 -251.607 -59.6494 28.1365 -36.4157 -55.395 PRESSAVG: 4319400 11.8215 -11.207 -23.439 -11.207 10.9311 -33.174 -23.4389 -33.1739 7.18421 GPRESSAVG: 4319400 12.0044 -11.91 -22.9486 -12.7505 11.4371 -34.4182 -22.9093 -32.4877 6.4945 TIMING: 4319400 CPU: 13492.9, 0.00312821/step Wall: 13492.9, 0.00312821/step, 0.591405 hours remaining, 234.460938 MB of memory in use. ENERGY: 4319400 3996.9939 20679.2902 14387.5866 240.1652 -202725.9215 2386.7444 0.0000 0.0000 51757.5795 -109277.5615 297.4515 -161035.1410 -108916.9081 299.4208 -152.9737 -126.2990 763267.5456 9.9790 9.9787 PRESSURE: 4319600 176.744 -155.314 -255.14 -155.313 11.7182 87.6489 -255.14 87.6494 -201.81 GPRESSURE: 4319600 164.289 -93.2303 -246.376 -103.628 31.4489 83.7981 -326.128 29.8484 -146.143 PRESSAVG: 4319600 -7.31891 -72.5049 -29.5753 -72.5048 5.79615 -30.5169 -29.5753 -30.5169 -22.7953 GPRESSAVG: 4319600 -8.4354 -70.211 -29.8498 -70.8932 5.57631 -30.631 -30.8434 -32.2611 -21.3072 TIMING: 4319600 CPU: 13493.6, 0.00312435/step Wall: 13493.6, 0.00312435/step, 0.590503 hours remaining, 234.460938 MB of memory in use. ENERGY: 4319600 3962.0073 20678.5598 14421.6796 247.3976 -203059.4232 2646.9246 0.0000 0.0000 52157.9516 -108944.9026 299.7525 -161102.8543 -108590.5883 299.9215 -4.4495 16.5319 764157.7481 -8.1060 -8.0554 PRESSURE: 4319800 259.217 166.726 122.791 166.727 -171.697 -19.0694 122.791 -19.0692 404.71 GPRESSURE: 4319800 271.75 131.952 167.54 85.0046 -97.7095 5.68561 122.088 -73.6704 412.478 PRESSAVG: 4319800 28.1498 -47.1622 -87.1296 -47.1622 -75.6664 7.45877 -87.1297 7.4588 -15.7733 GPRESSAVG: 4319800 28.3264 -49.321 -86.6764 -50.6279 -75.6226 7.35895 -87.4139 10.6141 -15.6829 TIMING: 4319800 CPU: 13494.2, 0.00313314/step Wall: 13494.2, 0.00313314/step, 0.59199 hours remaining, 234.460938 MB of memory in use. ENERGY: 4319800 4042.1601 20594.6482 14414.6231 263.2437 -203250.6884 3040.8428 0.0000 0.0000 51933.1048 -108962.0657 298.4603 -160895.1705 -108606.5796 300.1462 164.0766 195.5061 763857.4451 -21.0967 -20.9931 PRESSURE: 4320000 -268.906 71.812 -101.531 71.812 -64.6594 -157.585 -101.53 -157.586 181.845 GPRESSURE: 4320000 -191.706 101.255 2.81943 183.485 11.0027 -130.44 -200.184 -154.059 125.001 PRESSAVG: 4320000 8.88108 3.18497 35.2721 3.18494 -18.1089 -42.2834 35.2721 -42.2835 -14.1988 GPRESSAVG: 4320000 9.35945 4.93629 34.9747 6.23229 -17.6772 -41.9583 37.3234 -45.2197 -14.602 TIMING: 4320000 CPU: 13494.8, 0.00312257/step Wall: 13494.8, 0.00312257/step, 0.589818 hours remaining, 234.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4320000 4076.8805 20630.2610 14472.1772 278.6463 -203148.8938 2571.2111 0.0000 0.0000 52118.2673 -109001.4505 299.5244 -161119.7177 -108645.0986 299.7297 -50.5735 -18.5675 764147.2594 -7.8089 -7.6399 PRESSURE: 4320200 -324.294 -44.5138 10.7444 -44.5142 -257.4 1.43688 10.745 1.43741 -637.21 GPRESSURE: 4320200 -259.592 -173.318 58.1811 -130.729 -251.279 -41.4791 -57.1025 168.811 -628.853 PRESSAVG: 4320200 -34.669 11.0153 -71.296 11.0153 31.5134 -5.89289 -71.296 -5.89292 -9.62649 GPRESSAVG: 4320200 -34.5754 9.74988 -70.8979 10.778 31.1905 -6.63353 -71.8735 -4.37966 -9.38927 TIMING: 4320200 CPU: 13495.5, 0.00315557/step Wall: 13495.5, 0.00315558/step, 0.595878 hours remaining, 234.460938 MB of memory in use. ENERGY: 4320200 4041.6721 20388.6815 14452.3713 240.7057 -203019.3663 2778.3465 0.0000 0.0000 51777.8417 -109339.7474 297.5680 -161117.5891 -108979.3135 299.3482 -406.3014 -379.9080 763585.3044 -4.2607 -4.2581 LDB: ============= START OF LOAD BALANCING ============== 13507.9 LDB: ============== END OF LOAD BALANCING =============== 13507.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13507.9 LDB: ============= START OF LOAD BALANCING ============== 13508.3 LDB: Largest compute 7076 load 0.029622 is 15.2% of average load 0.195247 LDB: Average compute 0.004368 is 2.2% of average load 0.195247 LDB: TIME 13508.3 LOAD: AVG 0.195247 MAX 0.214755 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.344 MB LDB: TIME 13508.3 LOAD: AVG 0.195247 MAX 0.214755 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.402 MB LDB: TIME 13508.3 LOAD: AVG 0.195247 MAX 0.214755 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.402 MB LDB: ============== END OF LOAD BALANCING =============== 13508.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13508.3 PRESSURE: 4320400 -327.848 180.662 -39.5663 180.663 -125.796 -182.734 -39.5657 -182.734 -165.122 GPRESSURE: 4320400 -396.435 231.812 23.2238 108.95 41.1745 -246.24 -9.081 -152.003 -182.809 PRESSAVG: 4320400 -15.1746 -18.4023 18.5305 -18.4022 29.737 -34.8927 18.5305 -34.8927 -7.52646 GPRESSAVG: 4320400 -15.6978 -17.0892 19.4262 -19.8177 30.0022 -33.6133 20.2607 -35.243 -7.65309 TIMING: 4320400 CPU: 13496.1, 0.00321828/step Wall: 13496.1, 0.00321828/step, 0.607539 hours remaining, 234.773438 MB of memory in use. ENERGY: 4320400 4049.7046 20467.6515 14359.8597 251.2518 -202724.3338 2478.4085 0.0000 0.0000 51903.4025 -109214.0551 298.2896 -161117.4576 -108871.1525 298.5828 -206.2555 -179.3565 765969.9168 2.3453 2.2171 PRESSURE: 4320600 -47.7512 -169.284 238.471 -169.285 -180.05 296.279 238.471 296.278 214.311 GPRESSURE: 4320600 34.3319 -6.53538 167.25 -277.494 -194.925 259.603 260.242 190.871 256.771 PRESSAVG: 4320600 24.8058 -19.7143 -10.2268 -19.7144 -46.9831 32.3734 -10.2268 32.3734 15.6664 GPRESSAVG: 4320600 24.8304 -21.3061 -10.7181 -17.5468 -45.9654 33.2286 -12.6884 31.2434 14.0739 TIMING: 4320600 CPU: 13496.7, 0.00313081/step Wall: 13496.7, 0.00313081/step, 0.590854 hours remaining, 235.292969 MB of memory in use. ENERGY: 4320600 3992.1952 20348.7588 14384.7311 257.2409 -203423.1120 2898.1359 0.0000 0.0000 51959.1649 -109582.8851 298.6100 -161542.0500 -109217.2291 298.7570 -4.4967 32.0592 763389.2330 -2.1703 -2.3537 PRESSURE: 4320800 21.666 33.008 -215.051 33.0086 -169.684 188.901 -215.05 188.902 92.0791 GPRESSURE: 4320800 3.15895 87.202 -233.9 -71.2374 -83.1365 183.251 -171.12 123.563 112.853 PRESSAVG: 4320800 -13.4349 -44.6441 -43.8891 -44.6441 -16.8533 -22.7862 -43.8891 -22.7863 12.5467 GPRESSAVG: 4320800 -13.5252 -45.5559 -44.5185 -44.0803 -18.4436 -24.305 -42.4327 -23.4388 13.9406 TIMING: 4320800 CPU: 13497.3, 0.00312069/step Wall: 13497.3, 0.00312069/step, 0.58877 hours remaining, 235.292969 MB of memory in use. ENERGY: 4320800 3886.6067 20405.0218 14323.9951 235.0248 -203488.3229 2759.5831 0.0000 0.0000 52132.0394 -109746.0520 299.6035 -161878.0915 -109378.2866 298.2301 -18.6461 10.9586 760891.8029 -5.9138 -6.0094 PRESSURE: 4321000 187.948 -93.7238 102.306 -93.7241 140.684 -17.0875 102.306 -17.0861 394.712 GPRESSURE: 4321000 246.502 -100.453 148.485 -61.6484 211.908 -29.4247 28.1768 -10.1376 340.079 PRESSAVG: 4321000 -11.4958 -30.4225 -17.1642 -30.4225 24.8574 11.7338 -17.1642 11.7339 -4.44801 GPRESSAVG: 4321000 -12.0292 -28.4451 -16.7118 -30.6462 25.4319 10.8708 -17.5735 13.1129 -5.2895 TIMING: 4321000 CPU: 13498, 0.00313666/step Wall: 13498, 0.00313666/step, 0.59161 hours remaining, 235.292969 MB of memory in use. ENERGY: 4321000 3935.8877 20562.1216 14469.6117 258.6486 -203765.3185 2956.0420 0.0000 0.0000 51841.4406 -109741.5663 297.9335 -161583.0069 -109381.1989 298.5227 241.1149 266.1629 761665.9431 2.9712 2.7044 PRESSURE: 4321200 -7.3731 102.443 -15.0837 102.443 -80.5768 39.8906 -15.0842 39.8908 261.89 GPRESSURE: 4321200 10.1721 146.826 -59.9822 88.3995 -0.410192 18.4995 15.16 -2.54484 261.08 PRESSAVG: 4321200 25.7508 7.93512 -45.7644 7.93514 49.1561 -53.6035 -45.7645 -53.6034 5.04836 GPRESSAVG: 4321200 25.9377 7.29814 -46.0067 6.69517 49.5541 -51.4852 -47.9274 -53.6676 4.79451 TIMING: 4321200 CPU: 13498.6, 0.0031131/step Wall: 13498.6, 0.0031131/step, 0.586992 hours remaining, 235.292969 MB of memory in use. ENERGY: 4321200 3917.9065 20555.8013 14400.2998 241.7646 -202934.7922 2624.0988 0.0000 0.0000 51906.3271 -109288.5940 298.3064 -161194.9211 -108927.4877 298.7466 57.9800 90.2806 762579.3330 26.6517 26.7621 PRESSURE: 4321400 203.366 52.2823 -51.8388 52.2817 68.3972 -25.6336 -51.8386 -25.6339 -165.61 GPRESSURE: 4321400 362.389 -13.329 -31.0969 94.7498 96.7204 20.6163 -172.283 -88.2763 -260.899 PRESSAVG: 4321400 26.6422 -19.0934 -34.8862 -19.0934 12.902 14.0066 -34.8862 14.0066 -10.1547 GPRESSAVG: 4321400 26.2771 -18.3114 -34.7351 -17.7422 11.788 14.1536 -34.1979 15.6821 -8.46008 TIMING: 4321400 CPU: 13499.2, 0.00310594/step Wall: 13499.2, 0.00310594/step, 0.585469 hours remaining, 235.292969 MB of memory in use. ENERGY: 4321400 4049.1196 20416.1314 14477.2282 230.5318 -203973.6556 3267.3832 0.0000 0.0000 52326.6513 -109206.6102 300.7220 -161533.2615 -108848.1123 299.5249 35.3843 66.0702 760808.4268 9.7965 9.8684 PRESSURE: 4321600 381.238 -51.8474 32.6778 -51.8471 515.973 329.061 32.6781 329.062 52.4036 GPRESSURE: 4321600 399.403 -134.286 86.2077 -61.4947 531.904 304.132 87.7576 206.638 91.7218 PRESSAVG: 4321600 41.5097 1.57925 -24.1164 1.57925 15.0861 -12.6975 -24.1163 -12.6976 -0.226453 GPRESSAVG: 4321600 42.2165 0.0783185 -24.0983 1.29396 15.1299 -14.2871 -23.7344 -14.4615 -1.54633 TIMING: 4321600 CPU: 13499.8, 0.00312044/step Wall: 13499.8, 0.00312044/step, 0.58803 hours remaining, 235.292969 MB of memory in use. ENERGY: 4321600 3946.5667 20451.0559 14368.9460 250.6283 -203729.2457 3110.8041 0.0000 0.0000 52287.1071 -109314.1376 300.4947 -161601.2447 -108942.9541 299.5312 316.5381 341.0097 761364.6646 18.7898 18.6000 PRESSURE: 4321800 166.827 47.0729 -154.412 47.0725 233.355 -66.9792 -154.413 -66.9788 410.894 GPRESSURE: 4321800 282.779 5.77122 -50.3647 1.5555 200.298 -132.305 -174.664 -50.6772 422.612 PRESSAVG: 4321800 -5.67242 -38.6373 -35.3382 -38.6373 -4.46135 15.5808 -35.3382 15.5808 8.48225 GPRESSAVG: 4321800 -6.62977 -39.0977 -35.3891 -37.9433 -3.39794 17.1746 -36.9107 14.553 8.21729 TIMING: 4321800 CPU: 13500.5, 0.00310903/step Wall: 13500.5, 0.00310903/step, 0.585707 hours remaining, 235.292969 MB of memory in use. ENERGY: 4321800 3953.5808 20624.0249 14417.5584 250.9660 -203653.2137 2972.0292 0.0000 0.0000 52174.8332 -109260.2212 299.8495 -161435.0544 -108893.5850 299.4172 270.3587 301.8961 760040.8622 -0.5505 -0.6035 PRESSURE: 4322000 57.0073 -100.678 56.3919 -100.677 -235.912 -55.703 56.3927 -55.7029 -190.643 GPRESSURE: 4322000 35.8139 -147.977 110.113 -150.388 -213.475 -46.3225 128.183 -116.143 -94.1664 PRESSAVG: 4322000 -9.98888 -64.2325 -30.5133 -64.2326 7.91931 4.04245 -30.5134 4.04238 16.6529 GPRESSAVG: 4322000 -9.60108 -62.7367 -30.8637 -65.9007 8.06101 2.92297 -29.5279 5.42397 15.9368 TIMING: 4322000 CPU: 13501.1, 0.00311833/step Wall: 13501.1, 0.00311833/step, 0.587286 hours remaining, 235.300781 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: 4322000 4078.7471 20497.8112 14483.1842 215.3517 -203050.9443 2619.0501 0.0000 0.0000 51894.6205 -109262.1794 298.2391 -161156.8000 -108898.5857 299.8448 -123.1825 -90.6093 763259.9459 4.8611 4.7989 PRESSURE: 4322200 -217.86 -144.976 -4.29062 -144.975 -197.79 128.656 -4.29016 128.656 -141.559 GPRESSURE: 4322200 -22.2466 -230.178 -30.4355 -132.316 -227.842 60.3036 -68.9059 108.188 -212.161 PRESSAVG: 4322200 -5.70811 -68.154 -13.7461 -68.154 -8.20569 38.5382 -13.7461 38.5383 5.99942 GPRESSAVG: 4322200 -5.20936 -67.0475 -14.1863 -67.6065 -8.62314 38.6016 -13.8864 37.8303 6.24029 TIMING: 4322200 CPU: 13501.7, 0.00311922/step Wall: 13501.7, 0.00311922/step, 0.587279 hours remaining, 235.300781 MB of memory in use. ENERGY: 4322200 4035.1184 20412.4498 14428.6625 237.1642 -203208.3921 2591.4624 0.0000 0.0000 52353.5415 -109149.9932 300.8765 -161503.5347 -108779.7595 299.7210 -185.7364 -154.0833 762909.9303 -2.6381 -2.5307 PRESSURE: 4322400 90.6872 86.7041 -94.1913 86.7047 121.087 -23.8847 -94.1905 -23.8853 -275.162 GPRESSURE: 4322400 88.0745 -38.6717 -63.9709 21.581 115.637 9.26273 -87.7996 -72.7413 -184.322 PRESSAVG: 4322400 19.2871 -58.509 10.1725 -58.5089 4.26651 -32.7009 10.1725 -32.701 2.56498 GPRESSAVG: 4322400 19.6572 -60.0527 11.2244 -57.0371 3.47553 -32.6531 10.5314 -32.8634 2.68369 TIMING: 4322400 CPU: 13502.3, 0.00312748/step Wall: 13502.3, 0.00312748/step, 0.588661 hours remaining, 235.300781 MB of memory in use. ENERGY: 4322400 3985.0508 20637.7259 14460.5570 240.2206 -203254.7508 2840.9987 0.0000 0.0000 52156.8333 -108933.3645 299.7460 -161090.1978 -108565.8702 299.7919 -21.1293 6.4631 762506.8458 8.7062 8.6055 PRESSURE: 4322600 164.565 -21.2403 -222.474 -21.2403 104.647 -248.598 -222.474 -248.599 216.344 GPRESSURE: 4322600 204.154 -16.1734 -133.223 -7.78781 139.872 -252.271 -249.456 -141.685 221.866 PRESSAVG: 4322600 58.4959 -5.08865 -62.6658 -5.08864 -37.841 -3.83948 -62.6658 -3.83948 -5.77924 GPRESSAVG: 4322600 58.9063 -4.92202 -63.3396 -5.49711 -37.4794 -2.85401 -61.1637 -3.67131 -6.16494 TIMING: 4322600 CPU: 13503, 0.00314458/step Wall: 13503, 0.00314458/step, 0.591705 hours remaining, 235.300781 MB of memory in use. ENERGY: 4322600 3926.4829 20469.8828 14447.4680 225.1922 -203216.2017 2808.5689 0.0000 0.0000 52239.5677 -109099.0392 300.2215 -161338.6069 -108744.3331 299.8154 161.8520 188.6306 762151.3458 4.9586 5.0873 PRESSURE: 4322800 106.275 -28.4174 67.8697 -28.4178 5.74938 276.34 67.8693 276.341 234.133 GPRESSURE: 4322800 210.044 -36.7849 16.246 50.3638 45.7087 240.081 42.4367 323.214 175.214 PRESSAVG: 4322800 84.7872 -42.523 -73.1013 -42.523 -47.6064 58.7008 -73.1013 58.7008 -3.49347 GPRESSAVG: 4322800 85.0793 -42.152 -72.0655 -40.9571 -46.6912 57.4817 -73.2554 60.5136 -4.51653 TIMING: 4322800 CPU: 13503.6, 0.00310903/step Wall: 13503.6, 0.00310903/step, 0.584843 hours remaining, 235.300781 MB of memory in use. ENERGY: 4322800 3973.6280 20446.4683 14487.3615 241.4099 -202978.1217 2510.8622 0.0000 0.0000 51992.6556 -109325.7362 298.8025 -161318.3918 -108957.3943 298.9497 115.3861 143.6556 762596.7422 11.2291 11.2905 PRESSURE: 4323000 309.875 -98.2237 -149.018 -98.224 199.112 -0.0784571 -149.018 -0.0780132 -115.129 GPRESSURE: 4323000 313.376 -122.085 -98.329 -55.3571 217.985 3.7002 -129.637 -114.121 -72.6432 PRESSAVG: 4323000 17.5136 -5.86589 3.2848 -5.86596 1.92044 41.0361 3.28481 41.0361 5.20175 GPRESSAVG: 4323000 16.3971 -4.29592 2.81275 -8.55527 1.80691 42.5438 2.68299 38.919 7.02331 TIMING: 4323000 CPU: 13504.2, 0.00311868/step Wall: 13504.2, 0.00311868/step, 0.586486 hours remaining, 235.300781 MB of memory in use. ENERGY: 4323000 4044.2100 20453.7406 14393.0317 243.1339 -203462.0228 2994.4704 0.0000 0.0000 52051.5409 -109281.8953 299.1409 -161333.4363 -108921.9325 298.8005 131.2858 152.9060 762747.0772 8.2119 8.4091 PRESSURE: 4323200 25.8559 51.9286 133.074 51.9293 -187.69 72.4078 133.075 72.4085 732.238 GPRESSURE: 4323200 34.229 120.657 14.4502 -96.5829 -147.923 -16.7581 60.3354 37.7489 758.523 PRESSAVG: 4323200 -12.4757 14.9176 38.1898 14.9176 -19.4153 60.2164 38.1898 60.2164 -7.14815 GPRESSAVG: 4323200 -10.9875 13.1127 40.1301 15.6861 -19.7867 58.8907 35.6414 60.4742 -8.16535 TIMING: 4323200 CPU: 13504.8, 0.00311593/step Wall: 13504.8, 0.00311592/step, 0.585794 hours remaining, 235.300781 MB of memory in use. ENERGY: 4323200 3947.1395 20534.9725 14457.3172 248.7534 -203295.8766 2829.0961 0.0000 0.0000 51990.0319 -109288.5660 298.7874 -161278.5980 -108924.3698 298.8517 190.1347 214.9430 761432.3291 -13.0131 -12.9798 PRESSURE: 4323400 76.8778 -78.1471 57.1179 -78.147 -180.754 73.1147 57.1178 73.1159 174.234 GPRESSURE: 4323400 93.9568 -159.804 -22.7221 -13.0079 -125.179 -11.6433 55.6645 146.014 186.629 PRESSAVG: 4323400 21.8717 -5.47355 5.62109 -5.47351 29.3683 -53.3734 5.62107 -53.3734 46.7393 GPRESSAVG: 4323400 22.0081 -4.89467 5.58711 -5.02309 28.5906 -51.155 8.48145 -54.2608 47.5569 TIMING: 4323400 CPU: 13505.5, 0.00311768/step Wall: 13505.5, 0.00311768/step, 0.585951 hours remaining, 235.300781 MB of memory in use. ENERGY: 4323400 4016.9925 20418.9297 14483.5265 255.8721 -203438.5958 2969.1378 0.0000 0.0000 51903.1039 -109391.0333 298.2879 -161294.1372 -109025.2770 298.8824 23.4526 51.8021 761394.1154 32.6598 32.7185 PRESSURE: 4323600 79.281 -126.546 -9.44546 -126.546 -90.9685 -45.6976 -9.44582 -45.699 -120.856 GPRESSURE: 4323600 76.6318 -101.463 6.3831 -244.135 -24.933 -95.8434 -151.468 49.3322 -112.034 PRESSAVG: 4323600 33.1425 -32.949 -0.0601971 -32.949 -63.8023 45.6896 -0.0602192 45.6895 -19.1206 GPRESSAVG: 4323600 31.1878 -32.7218 -1.3305 -34.0456 -63.0456 45.3597 -0.545679 45.8288 -17.7807 TIMING: 4323600 CPU: 13506.1, 0.0031144/step Wall: 13506.1, 0.0031144/step, 0.585161 hours remaining, 235.300781 MB of memory in use. ENERGY: 4323600 3939.2362 20428.9714 14357.3862 268.5424 -203466.4520 2804.0993 0.0000 0.0000 52175.4873 -109492.7292 299.8532 -161668.2165 -109127.4032 299.0231 -44.1811 -20.1116 762567.1742 -16.5935 -16.5462 PRESSURE: 4323800 -110.938 -25.4901 236.939 -25.4889 131.82 -136.417 236.939 -136.419 -213.621 GPRESSURE: 4323800 -86.4345 104.332 244.084 -75.1274 67.0274 -37.2169 181.579 -15.3753 -93.7246 PRESSAVG: 4323800 16.8216 1.50301 -9.36946 1.50304 -36.3372 77.2162 -9.36949 77.2163 27.1729 GPRESSAVG: 4323800 18.7121 -0.00139938 -9.14348 2.19132 -37.3029 76.6101 -12.645 77.4973 26.0189 TIMING: 4323800 CPU: 13506.7, 0.00311112/step Wall: 13506.7, 0.00311112/step, 0.584373 hours remaining, 235.300781 MB of memory in use. ENERGY: 4323800 4028.4428 20422.8135 14444.3709 242.8517 -203500.2117 2799.2678 0.0000 0.0000 52003.2637 -109559.2012 298.8635 -161562.4649 -109196.5035 298.2307 -64.2465 -37.7106 762891.5604 2.5524 2.4760 PRESSURE: 4324000 49.4936 -83.2286 25.5295 -83.2276 -10.5218 113.409 25.5298 113.409 116.529 GPRESSURE: 4324000 78.3439 -51.0768 30.8528 -25.4816 67.5827 -31.2787 8.21211 138.746 92.3153 PRESSAVG: 4324000 27.717 -24.6246 5.47342 -24.6245 -19.4822 77.6061 5.47339 77.6061 2.40624 GPRESSAVG: 4324000 26.8912 -21.9165 3.41679 -25.2776 -17.9786 76.5589 9.83241 80.0424 1.7669 TIMING: 4324000 CPU: 13507.3, 0.00312539/step Wall: 13507.3, 0.00312539/step, 0.586879 hours remaining, 235.300781 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: 4324000 3981.0513 20399.3756 14482.3026 243.8872 -203625.5887 2781.6873 0.0000 0.0000 51957.8164 -109779.4683 298.6023 -161737.2847 -109418.8364 298.2866 51.8337 79.4140 763441.6692 3.5470 3.5598 PRESSURE: 4324200 -173.328 -136.364 -219.513 -136.364 290.678 60.1925 -219.514 60.1918 -150.25 GPRESSURE: 4324200 -177.551 -100.258 -240.95 -197.426 320.159 21.3227 -192.817 1.65888 -93.2233 PRESSAVG: 4324200 -14.5732 -25.0831 -53.8272 -25.083 -19.748 27.5661 -53.8271 27.5661 -16.5002 GPRESSAVG: 4324200 -12.5419 -26.6997 -52.8626 -26.75 -22.0875 29.9088 -57.8745 22.4123 -15.8191 TIMING: 4324200 CPU: 13508, 0.00311666/step Wall: 13508, 0.00311666/step, 0.585067 hours remaining, 235.300781 MB of memory in use. ENERGY: 4324200 3957.5251 20420.1174 14438.8650 235.6800 -203561.8282 2909.0028 0.0000 0.0000 51946.5867 -109654.0512 298.5377 -161600.6380 -109299.0012 298.5711 -10.9667 16.4615 762429.5519 -16.9405 -16.8162 LDB: ============= START OF LOAD BALANCING ============== 13520.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13520.4 LDB: =============== DONE WITH MIGRATION ================ 13520.4 LDB: ============= START OF LOAD BALANCING ============== 13520.7 LDB: Largest compute 7031 load 0.030339 is 15.5% of average load 0.195219 LDB: Average compute 0.004388 is 2.2% of average load 0.195219 LDB: TIME 13520.7 LOAD: AVG 0.195219 MAX 0.21571 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.59 MB LDB: TIME 13520.7 LOAD: AVG 0.195219 MAX 0.21571 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.789 MB LDB: TIME 13520.7 LOAD: AVG 0.195219 MAX 0.21571 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.789 MB LDB: ============== END OF LOAD BALANCING =============== 13520.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13520.8 PRESSURE: 4324400 -476.935 -143.422 75.2817 -143.421 -223.334 2.25901 75.2818 2.25907 -384.004 GPRESSURE: 4324400 -531.149 -201.624 81.4039 -88.8367 -209.182 -99.306 56.6616 64.2112 -266.386 PRESSAVG: 4324400 -13.3867 -21.897 -30.9541 -21.897 23.3656 -17.5997 -30.9542 -17.5996 -24.3346 GPRESSAVG: 4324400 -15.7952 -20.2448 -30.9468 -21.3101 25.251 -19.8717 -27.4306 -16.0999 -23.6328 TIMING: 4324400 CPU: 13508.6, 0.00318639/step Wall: 13508.6, 0.00318639/step, 0.597978 hours remaining, 234.261719 MB of memory in use. ENERGY: 4324400 3865.0719 20304.5717 14476.1353 237.3311 -202902.9557 2502.4328 0.0000 0.0000 52005.4068 -109512.0060 298.8758 -161517.4128 -109150.1672 298.6856 -361.4241 -335.5721 763551.9637 -4.7852 -4.7257 PRESSURE: 4324600 54.5545 79.8065 322.944 79.8064 113.944 143.15 322.944 143.15 192.799 GPRESSURE: 4324600 155.441 36.2246 377.953 174.845 77.8713 70.2691 151.093 150.024 219.951 PRESSAVG: 4324600 -3.01386 24.2362 -35.0155 24.2362 0.0727673 -22.6332 -35.0154 -22.6332 -9.39754 GPRESSAVG: 4324600 -3.28525 21.5636 -35.4924 27.6359 -0.029327 -21.252 -34.5996 -21.6952 -9.62499 TIMING: 4324600 CPU: 13509.2, 0.00313194/step Wall: 13509.2, 0.00313194/step, 0.587587 hours remaining, 234.460938 MB of memory in use. ENERGY: 4324600 3897.3485 20273.6989 14437.9819 260.9383 -203125.2760 2647.1956 0.0000 0.0000 51892.2831 -109715.8297 298.2257 -161608.1128 -109352.8231 297.7466 120.4323 151.0879 762351.0222 -4.1129 -4.3132 PRESSURE: 4324800 -199.68 15.494 -24.771 15.4946 -155.077 -89.4918 -24.771 -89.4915 68.2222 GPRESSURE: 4324800 -177.455 -75.0845 -52.162 -13.3672 -119.126 -22.0914 -171.21 -105.495 102.111 PRESSAVG: 4324800 -22.8124 -32.2051 -13.1341 -32.2051 28.1457 27.2915 -13.134 27.2915 9.67173 GPRESSAVG: 4324800 -21.5215 -32.543 -12.2813 -33.1926 27.4899 27.0796 -17.0115 26.1468 9.51714 TIMING: 4324800 CPU: 13509.8, 0.00313441/step Wall: 13509.8, 0.00313441/step, 0.587877 hours remaining, 234.460938 MB of memory in use. ENERGY: 4324800 3939.3771 20260.1707 14466.3708 234.4472 -203008.3981 2712.9121 0.0000 0.0000 51795.1842 -109599.9360 297.6676 -161395.1202 -109237.9677 297.8298 -95.5116 -64.8235 764036.6472 5.0017 5.1619 PRESSURE: 4325000 180.105 -250.766 -97.7961 -250.765 -356.655 46.0125 -97.7963 46.0117 193.384 GPRESSURE: 4325000 215.115 -249.172 -125.732 -205.639 -338.562 -1.43581 -2.79377 109.209 212.711 PRESSAVG: 4325000 -13.0694 -58.8571 -16.1407 -58.8572 14.9887 -3.89354 -16.1408 -3.89356 19.0428 GPRESSAVG: 4325000 -13.2133 -57.7521 -15.4902 -59.9336 15.32 -2.92894 -13.4734 -4.2364 18.9817 TIMING: 4325000 CPU: 13510.5, 0.00315425/step Wall: 13510.5, 0.00315425/step, 0.591421 hours remaining, 234.664062 MB of memory in use. ENERGY: 4325000 3892.6867 20297.7968 14489.3318 254.1599 -202810.6920 2444.9778 0.0000 0.0000 51813.3481 -109618.3907 297.7720 -161431.7388 -109264.7443 297.9934 5.6115 29.7549 763393.0534 6.9874 7.0295 PRESSURE: 4325200 249.464 -1.78749 -307.508 -1.78717 246.379 -106.698 -307.508 -106.697 191.563 GPRESSURE: 4325200 318.781 -77.0688 -268.75 49.6617 312.644 -98.1908 -227.291 -134.961 147.215 PRESSAVG: 4325200 25.5524 14.5683 33.898 14.5684 42.9748 -42.8648 33.8981 -42.8648 10.3065 GPRESSAVG: 4325200 24.6404 14.6318 32.9336 12.3295 44.0231 -42.4206 31.4833 -41.197 9.43729 TIMING: 4325200 CPU: 13511.1, 0.00314056/step Wall: 13511.1, 0.00314056/step, 0.58868 hours remaining, 234.664062 MB of memory in use. ENERGY: 4325200 3836.2967 20395.6222 14414.1502 234.1300 -203393.5996 2912.4237 0.0000 0.0000 51879.8763 -109721.1005 298.1544 -161600.9768 -109364.8713 297.6302 229.1354 259.5467 762833.8533 26.2779 26.0336 PRESSURE: 4325400 -31.9692 -112.98 -104.405 -112.98 12.942 4.92652 -104.405 4.92662 -484.72 GPRESSURE: 4325400 116.763 -110.007 -65.8437 -59.5665 -95.4738 153.97 -34.4213 -67.2995 -445.338 PRESSAVG: 4325400 -17.3692 -46.261 12.6777 -46.261 27.7012 -53.634 12.6778 -53.6339 8.57407 GPRESSAVG: 4325400 -16.86 -43.0568 12.4871 -44.215 26.6503 -52.8571 13.5596 -53.2789 9.33212 TIMING: 4325400 CPU: 13511.7, 0.00311112/step Wall: 13511.7, 0.00311112/step, 0.582989 hours remaining, 234.664062 MB of memory in use. ENERGY: 4325400 3945.2165 20369.8932 14439.2906 233.6406 -202858.3338 2357.5678 0.0000 0.0000 51998.9651 -109513.7600 298.8388 -161512.7250 -109165.5426 298.5111 -167.9159 -141.3497 764791.0432 6.3020 6.3741 PRESSURE: 4325600 46.0657 -20.5089 33.648 -20.5089 -63.7866 -215.763 33.6481 -215.763 42.6532 GPRESSURE: 4325600 28.7791 0.713676 66.069 32.9052 37.1144 -257.872 3.42939 -299.559 39.4958 PRESSAVG: 4325600 31.8841 20.9831 -17.3634 20.9831 -35.5927 1.4097 -17.3634 1.40971 -21.6671 GPRESSAVG: 4325600 31.6129 17.0769 -17.8541 22.3192 -35.3256 0.22162 -17.0766 1.62219 -21.6587 TIMING: 4325600 CPU: 13512.3, 0.00311544/step Wall: 13512.3, 0.00311544/step, 0.583627 hours remaining, 234.664062 MB of memory in use. ENERGY: 4325600 3936.1441 20489.5556 14475.4535 247.6681 -203005.2571 2773.6500 0.0000 0.0000 51810.2146 -109272.5712 297.7540 -161082.7858 -108925.7170 298.3406 8.3107 35.1298 762351.4587 -8.4586 -8.4571 PRESSURE: 4325800 42.6969 2.68183 -18.7606 2.68127 239.979 151.662 -18.7607 151.662 51.8812 GPRESSURE: 4325800 129.667 -35.6574 -24.4396 -36.4 227.861 136.024 -52.6656 43.9491 57.5514 PRESSAVG: 4325800 -39.7579 -35.0254 -34.4381 -35.0254 23.705 -15.097 -34.4381 -15.0971 11.412 GPRESSAVG: 4325800 -40.2553 -35.3924 -34.1952 -35.9515 24.8309 -13.9278 -32.2339 -15.6084 10.8903 TIMING: 4325800 CPU: 13513, 0.00313652/step Wall: 13513, 0.00313652/step, 0.587401 hours remaining, 234.664062 MB of memory in use. ENERGY: 4325800 3907.5561 20494.3442 14488.8037 229.5258 -202769.0380 2583.6056 0.0000 0.0000 52203.9957 -108861.2070 300.0171 -161065.2027 -108493.2366 299.3281 111.5192 138.3598 764383.9149 -1.5469 -1.5114 PRESSURE: 4326000 -147.79 -15.6622 118.794 -15.6626 -27.868 98.0253 118.795 98.025 32.2012 GPRESSURE: 4326000 -81.3519 -59.6066 32.3938 -86.5736 -52.5441 -31.6937 6.53398 49.3275 79.3601 PRESSAVG: 4326000 -13.1701 -53.0326 -32.9711 -53.0326 57.021 -2.24243 -32.9711 -2.24244 -4.26589 GPRESSAVG: 4326000 -10.9298 -50.4328 -32.6143 -54.0317 55.5106 -3.845 -34.0373 -2.13493 -5.05368 TIMING: 4326000 CPU: 13513.6, 0.00315394/step Wall: 13513.6, 0.00315394/step, 0.590487 hours remaining, 234.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4326000 4008.6602 20469.2393 14506.3139 254.7932 -202900.5978 2612.8011 0.0000 0.0000 52268.3482 -108780.4418 300.3869 -161048.7900 -108421.1473 299.4723 -47.8190 -18.1786 762639.7270 13.1950 13.1757 PRESSURE: 4326200 201.847 -133.491 28.9491 -133.49 -304.04 13.8519 28.949 13.853 -268.552 GPRESSURE: 4326200 130.477 -31.0085 105.052 -99.4791 -174.44 13.1161 -75.9242 -20.769 -236.347 PRESSAVG: 4326200 19.7696 -63.1912 39.0876 -63.1912 9.12725 -24.1979 39.0876 -24.1979 0.400065 GPRESSAVG: 4326200 18.7471 -64.931 40.3541 -60.6339 10.3225 -24.5302 36.3885 -23.4437 0.46857 TIMING: 4326200 CPU: 13514.2, 0.00313991/step Wall: 13514.2, 0.00313991/step, 0.587687 hours remaining, 234.664062 MB of memory in use. ENERGY: 4326200 3923.0763 20453.8059 14483.5982 240.8046 -202597.8596 2414.6540 0.0000 0.0000 52226.9685 -108854.9520 300.1491 -161081.9205 -108492.7035 299.8538 -123.5817 -93.4368 764411.9100 9.7656 9.8461 PRESSURE: 4326400 -148.968 -64.3005 -240.709 -64.3005 115.236 -86.6101 -240.709 -86.6103 -94.9618 GPRESSURE: 4326400 -167.775 -146.317 -200.343 -133.626 115.226 -64.2838 -133.499 -54.4677 -3.48915 PRESSAVG: 4326400 -14.8922 -20.8635 25.8662 -20.8635 37.2339 -23.6 25.8663 -23.6 6.92141 GPRESSAVG: 4326400 -14.9766 -20.0948 25.788 -20.9024 36.1074 -22.3584 28.0196 -22.772 7.67426 TIMING: 4326400 CPU: 13514.9, 0.00315384/step Wall: 13514.9, 0.00315384/step, 0.590118 hours remaining, 234.664062 MB of memory in use. ENERGY: 4326400 3943.6414 20483.1478 14525.4666 233.0832 -202689.9508 2584.8339 0.0000 0.0000 52118.9226 -108800.8554 299.5282 -160919.7779 -108432.8362 299.6923 -42.8979 -18.6795 764463.3302 9.7544 9.6017 PRESSURE: 4326600 308.552 -140.679 -27.5877 -140.68 -71.1503 -58.429 -27.5875 -58.4289 532.624 GPRESSURE: 4326600 268.333 -166.023 -39.9052 -101.113 67.5703 -113.487 -80.1074 -39.8858 515.837 PRESSAVG: 4326600 -33.015 -56.8558 31.1566 -56.8558 35.0611 -19.3572 31.1565 -19.3572 -14.935 GPRESSAVG: 4326600 -33.9929 -57.2823 31.5163 -57.7635 36.6336 -20.3577 28.6205 -20.2923 -15.9739 TIMING: 4326600 CPU: 13515.5, 0.00313976/step Wall: 13515.5, 0.00313976/step, 0.58731 hours remaining, 234.664062 MB of memory in use. ENERGY: 4326600 3997.3965 20483.8548 14409.2549 244.8873 -203221.1201 2991.2078 0.0000 0.0000 52187.0781 -108907.4407 299.9199 -161094.5188 -108553.0446 299.5116 256.6752 283.9133 762181.8407 -4.2963 -4.4444 PRESSURE: 4326800 -96.29 -168.167 -59.9271 -168.166 -217.875 277.328 -59.9267 277.328 -250.165 GPRESSURE: 4326800 -61.7427 -50.2747 -66.549 -143.018 -244.92 281.765 -31.4889 297.33 -166.069 PRESSAVG: 4326800 -43.0208 -19.0793 23.3263 -19.0793 30.1225 50.5949 23.3263 50.595 -0.943409 GPRESSAVG: 4326800 -43.0928 -16.7785 22.0814 -19.431 29.7726 53.0212 25.3636 50.6355 -0.227344 TIMING: 4326800 CPU: 13516.1, 0.00312391/step Wall: 13516.1, 0.00312391/step, 0.584171 hours remaining, 234.664062 MB of memory in use. ENERGY: 4326800 3924.5652 20433.2348 14449.3986 257.7037 -203110.6040 2872.6951 0.0000 0.0000 52314.0006 -108859.0060 300.6493 -161173.0066 -108493.9428 299.8210 -188.1100 -157.5772 765362.4666 -4.6139 -4.5158 PRESSURE: 4327000 -214.643 253.275 81.6978 253.275 -365.155 -50.0003 81.6976 -50.0011 93.6606 GPRESSURE: 4327000 -187.406 95.7629 100.438 223.16 -281.214 -62.0618 -28.2325 -35.0059 59.1456 PRESSAVG: 4327000 32.0242 -27.3071 -7.20464 -27.3071 -18.1117 -13.8404 -7.20464 -13.8405 12.491 GPRESSAVG: 4327000 32.8964 -28.3325 -7.2571 -28.2315 -18.3304 -15.7699 -8.21529 -13.1631 11.8106 TIMING: 4327000 CPU: 13516.7, 0.0031435/step Wall: 13516.7, 0.0031435/step, 0.58766 hours remaining, 234.664062 MB of memory in use. ENERGY: 4327000 4008.4887 20437.3282 14488.6839 243.9726 -203031.2518 2609.1585 0.0000 0.0000 52227.2880 -109016.3319 300.1509 -161243.6199 -108658.4232 299.3299 -162.0456 -136.4915 764754.9278 8.8012 8.7922 PRESSURE: 4327200 -241.561 11.3575 -179.782 11.3576 -234.911 155.856 -179.783 155.857 -59.3839 GPRESSURE: 4327200 -181.747 -27.63 -92.4925 16.2912 -298.255 148.507 -188.079 107.827 38.3761 PRESSAVG: 4327200 1.63854 -46.4935 -1.52183 -46.4934 18.2872 -17.9365 -1.52186 -17.9364 -17.3443 GPRESSAVG: 4327200 1.262 -45.4634 -0.857555 -46.749 17.4186 -18.5277 -2.16083 -20.754 -16.1196 TIMING: 4327200 CPU: 13517.4, 0.0031468/step Wall: 13517.4, 0.0031468/step, 0.588102 hours remaining, 234.664062 MB of memory in use. ENERGY: 4327200 4001.3355 20409.4767 14441.7893 239.7654 -202792.9028 2408.9304 0.0000 0.0000 51988.2127 -109303.3928 298.7770 -161291.6055 -108945.6607 299.3580 -178.6185 -147.2088 764007.2361 0.8605 0.8537 PRESSURE: 4327400 -56.5039 -56.8468 107.694 -56.8452 -146.281 -88.0047 107.695 -88.0043 83.1846 GPRESSURE: 4327400 -31.1331 15.4637 32.9103 -13.3347 -70.5112 -130.542 19.8221 3.5802 50.8468 PRESSAVG: 4327400 7.23439 12.0441 -53.6409 12.0441 -7.41649 -79.1791 -53.6409 -79.1791 12.0673 GPRESSAVG: 4327400 7.99187 11.5158 -54.1042 13.4726 -6.09027 -78.6528 -50.849 -77.6715 9.63742 TIMING: 4327400 CPU: 13518, 0.00314045/step Wall: 13518, 0.00314045/step, 0.58674 hours remaining, 234.664062 MB of memory in use. ENERGY: 4327400 4014.8413 20604.8700 14429.5821 235.3391 -202920.9364 2558.7021 0.0000 0.0000 51626.9806 -109450.6212 296.7010 -161077.6018 -109109.2867 298.6726 -39.8669 -16.9325 763443.8664 3.9617 3.8463 PRESSURE: 4327600 -50.1859 -78.233 -49.2835 -78.2333 -60.6512 -1.48137 -49.2833 -1.4825 35.3612 GPRESSURE: 4327600 -35.1627 -69.8251 -71.1325 43.5907 46.3048 89.6383 -125.957 -14.8972 -5.97432 PRESSAVG: 4327600 -30.5375 10.6501 34.1086 10.6501 24.4069 -16.4622 34.1087 -16.4622 -13.5118 GPRESSAVG: 4327600 -32.999 8.98359 33.349 12.1678 24.7369 -13.1404 32.2658 -17.1486 -11.2322 TIMING: 4327600 CPU: 13518.6, 0.00312138/step Wall: 13518.6, 0.00312138/step, 0.583004 hours remaining, 234.664062 MB of memory in use. ENERGY: 4327600 4024.6719 20481.6322 14418.3534 257.2313 -203209.8015 2693.2174 0.0000 0.0000 52115.5546 -109219.1408 299.5088 -161334.6953 -108863.0807 298.9670 -25.1586 1.7226 763731.0108 -6.5475 -6.4981 PRESSURE: 4327800 -241.47 206.971 -142.726 206.971 -336.798 -90.1943 -142.726 -90.1949 296.947 GPRESSURE: 4327800 -192.965 30.8774 -158.936 121.305 -256.683 -39.704 25.4755 -189.092 243.989 PRESSAVG: 4327800 27.5681 -0.501925 -10.0383 -0.501911 -5.10205 21.6856 -10.0383 21.6855 -16.6797 GPRESSAVG: 4327800 27.769 -0.414744 -10.1447 -3.95694 -4.90333 16.8455 -8.67044 23.2206 -17.6757 TIMING: 4327800 CPU: 13519.3, 0.00313149/step Wall: 13519.3, 0.00313149/step, 0.584719 hours remaining, 234.664062 MB of memory in use. ENERGY: 4327800 4038.1090 20354.7980 14424.9478 250.7500 -202675.9053 2408.3296 0.0000 0.0000 52009.2656 -109189.7054 298.8980 -161198.9709 -108832.1214 299.5283 -93.7737 -68.5531 763181.3824 1.9288 1.7300 PRESSURE: 4328000 -374.453 -22.1639 -120.952 -22.1642 -159.804 -201.759 -120.952 -201.76 -155.206 GPRESSURE: 4328000 -415.273 -52.4961 -156.894 -45.5742 -63.119 -236.6 -79.5172 -138.801 -121.713 PRESSAVG: 4328000 19.874 -53.441 14.7676 -53.441 -54.572 -16.6957 14.7676 -16.6957 -3.69947 GPRESSAVG: 4328000 20.2752 -51.1869 15.3235 -52.7424 -55.5423 -14.2434 12.9895 -19.2687 -3.11929 TIMING: 4328000 CPU: 13519.9, 0.00314506/step Wall: 13519.9, 0.00314506/step, 0.587078 hours remaining, 234.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4328000 3993.1692 20531.7595 14393.9973 249.3434 -202517.3800 2325.3153 0.0000 0.0000 52014.6314 -109009.1639 298.9288 -161023.7953 -108651.6977 299.0229 -229.8212 -200.0350 764103.2913 -12.7991 -12.7955 PRESSURE: 4328200 279.534 5.59128 -44.1075 5.59199 68.3822 170.842 -44.1074 170.842 12.7657 GPRESSURE: 4328200 271.037 -7.87034 -75.9562 71.4202 96.992 213.209 -17.8775 185.254 76.0434 PRESSAVG: 4328200 12.9877 1.89068 -5.81879 1.89064 4.60357 39.9452 -5.81873 39.9452 -5.40589 GPRESSAVG: 4328200 13.8993 -1.4788 -5.09531 2.11947 4.47167 40.5452 -5.35822 40.2342 -5.74765 TIMING: 4328200 CPU: 13520.5, 0.0031512/step Wall: 13520.5, 0.0031512/step, 0.58805 hours remaining, 234.664062 MB of memory in use. ENERGY: 4328200 4011.9131 20353.4893 14465.1968 264.4636 -203063.1867 2750.6630 0.0000 0.0000 52111.4505 -109106.0106 299.4852 -161217.4610 -108744.1226 299.6364 120.2274 148.0241 762646.8851 4.0618 4.2078 LDB: ============= START OF LOAD BALANCING ============== 13533 LDB: ============== END OF LOAD BALANCING =============== 13533 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13533 LDB: ============= START OF LOAD BALANCING ============== 13533.3 LDB: Largest compute 7026 load 0.030070 is 15.4% of average load 0.195319 LDB: Average compute 0.004384 is 2.2% of average load 0.195319 LDB: TIME 13533.3 LOAD: AVG 0.195319 MAX 0.218012 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.09 MB LDB: TIME 13533.3 LOAD: AVG 0.195319 MAX 0.218012 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.09 MB LDB: TIME 13533.3 LOAD: AVG 0.195319 MAX 0.213086 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.09 MB LDB: ============== END OF LOAD BALANCING =============== 13533.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13533.3 PRESSURE: 4328400 48.3056 153.336 299.866 153.336 56.7545 176.592 299.865 176.592 33.8133 GPRESSURE: 4328400 29.2946 107.413 264.449 142.852 85.9976 117.59 401.318 221.824 82.5061 PRESSAVG: 4328400 -0.706281 13.3271 -7.17406 13.3272 40.6328 36.524 -7.17413 36.5239 5.3177 GPRESSAVG: 4328400 -1.84981 14.851 -7.38407 12.9392 41.3929 34.8091 -5.81592 37.651 5.79598 TIMING: 4328400 CPU: 13521.2, 0.0032154/step Wall: 13521.2, 0.0032154/step, 0.59985 hours remaining, 233.750000 MB of memory in use. ENERGY: 4328400 3921.5201 20403.6376 14513.4001 250.6730 -203095.6430 2762.5465 0.0000 0.0000 52001.9635 -109241.9022 298.8560 -161243.8656 -108870.4335 299.1543 46.2911 65.9327 763592.4522 15.0814 15.1130 PRESSURE: 4328600 273.713 -26.5938 -163.541 -26.5936 192.857 26.2745 -163.541 26.2744 -63.3547 GPRESSURE: 4328600 236.585 -60.4208 -231.953 -114.605 250.827 -14.6352 -149.325 190.072 16.6831 PRESSAVG: 4328600 -37.2957 7.06625 23.5954 7.06622 50.1612 1.99925 23.5954 1.99927 5.66124 GPRESSAVG: 4328600 -37.041 8.90839 22.2233 5.34303 49.8333 3.64571 23.7058 3.21978 5.72274 TIMING: 4328600 CPU: 13521.8, 0.00312053/step Wall: 13521.8, 0.00312054/step, 0.58198 hours remaining, 233.953125 MB of memory in use. ENERGY: 4328600 3915.5500 20374.9842 14450.7186 253.9497 -203303.4769 2887.4456 0.0000 0.0000 52297.0560 -109123.7728 300.5519 -161420.8288 -108754.5201 299.0049 134.4050 168.0318 762881.3566 6.1756 6.1717 PRESSURE: 4328800 17.8046 -4.01662 -121.356 -4.01664 100.264 67.2736 -121.356 67.2743 -126.447 GPRESSURE: 4328800 58.3613 48.5515 -142.881 -147.161 129.426 77.9291 -106.441 4.24751 -124.997 PRESSAVG: 4328800 -39.5682 -45.631 -46.4136 -45.6309 18.2688 14.2131 -46.4136 14.2131 5.07264 GPRESSAVG: 4328800 -39.3972 -46.3359 -45.6885 -45.1848 17.5127 12.6885 -47.1905 14.2368 5.41809 TIMING: 4328800 CPU: 13522.4, 0.00312259/step Wall: 13522.4, 0.00312259/step, 0.58219 hours remaining, 233.953125 MB of memory in use. ENERGY: 4328800 4086.5804 20432.2192 14521.9530 231.1238 -203044.6378 2775.8064 0.0000 0.0000 52058.7887 -108938.1663 299.1826 -160996.9550 -108585.5572 299.5786 -2.7930 20.9301 764271.0209 -5.4089 -5.4888 PRESSURE: 4329000 -288.338 66.904 -43.6619 66.9026 426.84 46.6112 -43.6614 46.6121 -206.037 GPRESSURE: 4329000 -214.093 159.206 4.42207 122.75 388.922 -16.2414 92.3551 39.2362 -154.399 PRESSAVG: 4329000 -44.4733 12.8696 9.64373 12.8695 82.5076 22.9092 9.64377 22.9093 14.1375 GPRESSAVG: 4329000 -44.0271 11.3349 10.0224 15.6595 82.8044 25.5934 11.2134 20.9337 13.9723 TIMING: 4329000 CPU: 13523, 0.00314428/step Wall: 13523, 0.00314428/step, 0.586058 hours remaining, 233.953125 MB of memory in use. ENERGY: 4329000 3989.5221 20485.3503 14523.7317 262.5185 -203054.0258 2591.1558 0.0000 0.0000 52285.0164 -108916.7312 300.4827 -161201.7475 -108552.0805 299.6175 -22.5120 6.8101 763443.7433 17.3906 17.5832 PRESSURE: 4329200 203.876 101.783 21.7153 101.782 309.365 36.9392 21.7155 36.9405 -171.918 GPRESSURE: 4329200 240.656 67.9789 -18.062 -1.4737 301.901 151.989 5.16644 20.7023 -112.103 PRESSAVG: 4329200 -56.0683 18.3276 -22.6725 18.3276 44.5868 12.7888 -22.6724 12.7889 1.94894 GPRESSAVG: 4329200 -57.1292 20.2606 -22.5214 16.1277 45.9488 10.8613 -23.6652 14.6062 1.75975 TIMING: 4329200 CPU: 13523.7, 0.00313727/step Wall: 13523.7, 0.00313727/step, 0.584578 hours remaining, 233.953125 MB of memory in use. ENERGY: 4329200 3945.7918 20633.8733 14453.0790 254.8979 -202977.2734 2659.9648 0.0000 0.0000 52091.9446 -108937.7220 299.3731 -161029.6666 -108583.3761 300.0480 113.7746 143.4845 763508.2926 -3.1775 -3.1402 PRESSURE: 4329400 -26.566 -6.33817 291.081 -6.33867 173.27 164.462 291.08 164.462 -146.265 GPRESSURE: 4329400 -21.8704 -40.6644 291.613 -91.733 202.894 158.892 294.1 46.8042 -107.827 PRESSAVG: 4329400 -16.5902 -4.99474 6.96187 -4.99478 36.3214 37.5064 6.96194 37.5063 -4.40091 GPRESSAVG: 4329400 -17.1149 -6.96703 6.05056 -4.77347 36.5497 37.3151 5.3325 37.8985 -4.50841 TIMING: 4329400 CPU: 13524.3, 0.00311628/step Wall: 13524.3, 0.00311628/step, 0.580493 hours remaining, 233.953125 MB of memory in use. ENERGY: 4329400 3890.8954 20523.1529 14500.6231 256.4303 -202866.4940 2640.6559 0.0000 0.0000 52234.2977 -108820.4388 300.1912 -161054.7365 -108472.3399 299.6823 0.1462 24.3989 763250.7529 5.1101 4.9755 PRESSURE: 4329600 392.655 82.6134 -116.365 82.6136 159.882 -70.6219 -116.365 -70.6221 117.738 GPRESSURE: 4329600 301.697 89.7309 21.17 32.4956 304.049 -16.8748 -37.7676 -148.239 146.882 PRESSAVG: 4329600 -55.0659 -26.2407 70.8944 -26.2407 27.8312 53.3893 70.8945 53.3894 7.19802 GPRESSAVG: 4329600 -55.378 -24.7545 71.4814 -26.059 28.0488 52.6316 73.3552 50.3965 7.23441 TIMING: 4329600 CPU: 13524.9, 0.00311113/step Wall: 13524.9, 0.00311113/step, 0.579361 hours remaining, 233.953125 MB of memory in use. ENERGY: 4329600 4017.5347 20382.4366 14427.2092 272.3336 -203052.4714 2717.3558 0.0000 0.0000 52320.3588 -108915.2428 300.6858 -161235.6015 -108555.6878 299.8526 223.4250 250.8761 762046.4006 -6.6789 -6.6983 PRESSURE: 4329800 -44.1473 80.183 55.2584 80.1827 46.5573 255.014 55.2585 255.014 195.148 GPRESSURE: 4329800 16.3925 -53.5414 60.8007 135.284 88.895 229.302 -5.55559 227.124 194.039 PRESSAVG: 4329800 -31.9572 -19.5008 62.8978 -19.5008 2.56214 14.5602 62.8978 14.5604 -6.18434 GPRESSAVG: 4329800 -30.1693 -19.2538 62.6967 -19.7097 1.24377 14.9005 61.0726 16.4802 -7.09688 TIMING: 4329800 CPU: 13525.5, 0.00311219/step Wall: 13525.5, 0.00311219/step, 0.579386 hours remaining, 233.953125 MB of memory in use. ENERGY: 4329800 4010.7885 20417.1627 14476.8310 239.7797 -202984.5364 2725.2706 0.0000 0.0000 52136.2639 -108978.4400 299.6278 -161114.7038 -108631.1976 299.9161 65.8526 99.7754 763411.5151 -11.8598 -12.0075 PRESSURE: 4330000 -183.737 -81.6062 139.629 -81.6063 279.629 218.414 139.63 218.415 148.312 GPRESSURE: 4330000 -156.336 -158.416 189.421 -69.0227 203.825 195.36 178.166 155.231 256.762 PRESSAVG: 4330000 -28.2846 -43.896 62.0494 -43.896 1.33136 36.7954 62.0494 36.7954 28.2566 GPRESSAVG: 4330000 -29.502 -43.9736 61.9405 -44.1619 2.28122 37.9148 61.2483 36.1881 28.5417 TIMING: 4330000 CPU: 13526.1, 0.00309096/step Wall: 13526.1, 0.00309096/step, 0.575263 hours remaining, 233.953125 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: 4330000 3995.5524 20501.5652 14503.8224 253.3988 -202882.1338 2465.5937 0.0000 0.0000 52027.6228 -109134.5784 299.0035 -161162.2013 -108770.0332 299.2873 81.4012 101.4167 762564.6712 0.4345 0.4403 PRESSURE: 4330200 199.83 -51.9389 257.061 -51.9395 -186.538 75.3543 257.062 75.3551 134.375 GPRESSURE: 4330200 231.957 -31.4444 239.676 2.35284 -168.86 72.4198 99.3909 58.1147 166.735 PRESSAVG: 4330200 -6.2479 -16.4932 -7.22393 -16.4931 2.17317 -0.969541 -7.22396 -0.969498 -1.05897 GPRESSAVG: 4330200 -7.94617 -17.6401 -7.3343 -15.7053 3.71778 -2.16117 -4.45987 1.02536 -0.677596 TIMING: 4330200 CPU: 13526.8, 0.00310167/step Wall: 13526.8, 0.00310167/step, 0.577082 hours remaining, 233.953125 MB of memory in use. ENERGY: 4330200 3930.4255 20489.8993 14473.5849 242.8471 -203097.3434 2554.5322 0.0000 0.0000 52412.2258 -108993.8286 301.2138 -161406.0544 -108625.5286 299.6274 49.2221 76.6107 762486.5480 -1.7112 -1.6353 PRESSURE: 4330400 -96.6321 107.498 -154.48 107.498 -38.101 -55.7674 -154.479 -55.7685 -45.2233 GPRESSURE: 4330400 33.5149 139.197 -178.744 -0.817202 -60.7613 7.1321 -118.129 -78.7663 -69.0508 PRESSAVG: 4330400 -32.0212 -29.4159 13.455 -29.4159 -0.578075 17.9263 13.455 17.9264 3.50697 GPRESSAVG: 4330400 -29.9761 -27.0957 12.5961 -28.1665 -2.52313 19.047 11.3015 16.2383 3.72557 TIMING: 4330400 CPU: 13527.4, 0.0031067/step Wall: 13527.4, 0.0031067/step, 0.577846 hours remaining, 233.953125 MB of memory in use. ENERGY: 4330400 4030.3520 20634.3110 14445.5333 225.2371 -202762.5940 2356.3842 0.0000 0.0000 52051.9467 -109018.8298 299.1433 -161070.7765 -108655.4325 299.9653 -59.9855 -32.0991 762635.5186 -9.6974 -9.5912 PRESSURE: 4330600 25.0408 -32.1491 219.833 -32.1483 278.964 183.916 219.834 183.916 -18.8688 GPRESSURE: 4330600 77.6848 7.63774 188.096 -54.6032 339.689 38.3792 254.867 189.989 -41.997 PRESSAVG: 4330600 10.9213 -4.79751 -12.1358 -4.79752 -67.3342 47.2193 -12.1359 47.2192 13.3678 GPRESSAVG: 4330600 11.6272 -6.23357 -11.721 -6.36711 -67.9545 47.7706 -11.6304 46.5767 13.2106 TIMING: 4330600 CPU: 13528, 0.00311398/step Wall: 13528, 0.00311398/step, 0.579027 hours remaining, 233.953125 MB of memory in use. ENERGY: 4330600 4006.5565 20455.0424 14468.0274 249.9353 -203357.4140 2770.1987 0.0000 0.0000 52170.1917 -109237.4621 299.8228 -161407.6538 -108872.1706 299.0897 95.0453 125.1255 764170.6996 -14.3484 -14.3722 PRESSURE: 4330800 87.5688 41.4367 -27.213 41.4362 -402.773 -134.482 -27.2126 -134.482 -76.1976 GPRESSURE: 4330800 85.6165 31.746 -52.3298 78.3692 -330.932 -32.1474 13.327 -120.822 -96.484 PRESSAVG: 4330800 9.26747 -67.1657 36.692 -67.1656 25.8318 26.2276 36.6919 26.2276 -16.2128 GPRESSAVG: 4330800 9.17026 -67.1376 37.6863 -68.7391 26.5943 25.9094 37.2405 27.5114 -17.23 TIMING: 4330800 CPU: 13528.6, 0.00311221/step Wall: 13528.6, 0.00311222/step, 0.578526 hours remaining, 233.953125 MB of memory in use. ENERGY: 4330800 3963.7870 20273.6644 14450.2408 242.6474 -203651.0949 3015.4862 0.0000 0.0000 52130.0354 -109575.2337 299.5920 -161705.2692 -109196.2313 298.9090 -130.4673 -113.9333 763028.6055 6.2955 6.1782 PRESSURE: 4331000 51.1424 37.017 -1.09829 37.0163 320.804 -10.4843 -1.09815 -10.4837 91.1822 GPRESSURE: 4331000 91.1378 76.6201 -123.938 -37.5542 277.053 -79.7697 137.939 16.5764 191.173 PRESSAVG: 4331000 -43.982 -36.5145 11.3497 -36.5145 15.0064 24.1118 11.3498 24.1117 14.7383 GPRESSAVG: 4331000 -45.1513 -35.3844 11.1965 -33.6392 15.1104 22.8245 10.2865 22.5814 15.2019 TIMING: 4331000 CPU: 13529.3, 0.00310823/step Wall: 13529.3, 0.00310822/step, 0.577612 hours remaining, 233.953125 MB of memory in use. ENERGY: 4331000 3923.1288 20412.5769 14463.9435 242.9463 -203033.8960 2757.9042 0.0000 0.0000 51920.1848 -109313.2114 298.3860 -161233.3962 -108951.1136 298.5559 154.3763 186.4546 763949.9958 -4.7458 -4.9464 PRESSURE: 4331200 -49.7924 -123.955 239.733 -123.955 94.1887 90.0313 239.733 90.0303 -105.134 GPRESSURE: 4331200 -35.0218 -43.8681 246.384 -203.718 87.8204 85.6398 205.256 151.42 -33.0278 PRESSAVG: 4331200 6.59054 -14.9762 -9.9542 -14.9762 24.5426 9.91102 -9.95419 9.91103 10.4052 GPRESSAVG: 4331200 6.71264 -15.3894 -10.5489 -15.4745 24.5983 10.3028 -10.522 10.9582 10.4613 TIMING: 4331200 CPU: 13529.9, 0.00310539/step Wall: 13529.9, 0.00310539/step, 0.576913 hours remaining, 233.953125 MB of memory in use. ENERGY: 4331200 3982.8215 20592.3380 14484.3677 239.3929 -203237.1808 2475.5513 0.0000 0.0000 51901.2253 -109561.4841 298.2771 -161462.7094 -109194.1143 298.4897 -20.2458 6.5903 762870.2682 13.8461 13.9241 PRESSURE: 4331400 -183.801 136.247 -164.349 136.248 -300.391 -65.5102 -164.349 -65.5099 -126.142 GPRESSURE: 4331400 -40.0749 99.7123 -171.69 118.921 -301.04 -69.4819 -166.086 -73.5617 -204.584 PRESSAVG: 4331400 -32.0809 3.94368 32.0284 3.94376 14.1624 38.282 32.0283 38.282 -14.0067 GPRESSAVG: 4331400 -31.0797 3.38788 34.6049 2.29567 13.905 39.3598 30.2063 38.3728 -14.9354 TIMING: 4331400 CPU: 13530.5, 0.00311194/step Wall: 13530.5, 0.00311194/step, 0.577956 hours remaining, 233.953125 MB of memory in use. ENERGY: 4331400 4045.0182 20511.6983 14502.1985 253.7872 -203124.9277 2644.3355 0.0000 0.0000 51763.0969 -109404.7931 297.4832 -161167.8900 -109040.3549 298.5519 -203.4448 -181.8997 762887.4999 -10.6417 -10.7033 PRESSURE: 4331600 -243.703 -77.5488 -132.396 -77.5489 187.651 52.3871 -132.395 52.3886 269.124 GPRESSURE: 4331600 -267.44 -121.409 -198.136 -38.5861 279 -11.4738 -79.1779 11.692 281.015 PRESSAVG: 4331600 -13.9176 -0.548692 36.3539 -0.548708 31.4761 28.6655 36.3539 28.6656 -21.7543 GPRESSAVG: 4331600 -14.2147 -2.19636 34.3389 1.42984 31.7662 28.2793 40.2504 28.7566 -21.9015 TIMING: 4331600 CPU: 13531.1, 0.00313352/step Wall: 13531.1, 0.00313352/step, 0.58179 hours remaining, 233.953125 MB of memory in use. ENERGY: 4331600 3983.9438 20445.4345 14447.8607 241.6858 -203388.9437 2780.0756 0.0000 0.0000 52153.6194 -109336.3240 299.7276 -161489.9434 -108960.5694 299.4548 71.0241 97.5250 761971.3973 -1.3986 -1.4500 PRESSURE: 4331800 287.257 216.949 165.108 216.949 -141.854 303.616 165.109 303.617 377.867 GPRESSURE: 4331800 258.065 144.011 94.5567 102.61 -61.9298 374.594 194.405 182.033 425.3 PRESSAVG: 4331800 -7.56539 -12.5596 -2.26726 -12.5597 -29.9344 26.0864 -2.26725 26.0864 20.616 GPRESSAVG: 4331800 -8.85029 -12.2662 -3.95335 -14.973 -30.0392 27.2043 -3.8797 25.2253 21.9819 TIMING: 4331800 CPU: 13531.8, 0.00313419/step Wall: 13531.8, 0.00313419/step, 0.58174 hours remaining, 233.953125 MB of memory in use. ENERGY: 4331800 4002.5366 20511.7628 14409.8125 261.7000 -203648.3575 2906.0149 0.0000 0.0000 51884.2088 -109672.3219 298.1793 -161556.5307 -109310.5454 299.0067 174.4231 207.1448 760527.3969 -5.6279 -5.6358 PRESSURE: 4332000 -172.185 40.3376 110.924 40.3376 -46.722 -59.2524 110.924 -59.2525 -109.438 GPRESSURE: 4332000 -187.034 82.3224 198.391 56.2624 -58.4063 -42.9389 39.0966 -5.96141 -14.0143 PRESSAVG: 4332000 -15.6516 10.9609 -5.67038 10.9609 49.0556 33.9066 -5.67035 33.9067 5.74436 GPRESSAVG: 4332000 -14.2353 12.8173 -2.85101 10.3548 48.0521 34.4794 -6.1202 36.4389 4.95324 TIMING: 4332000 CPU: 13532.4, 0.0031288/step Wall: 13532.4, 0.0031288/step, 0.580567 hours remaining, 233.953125 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: 4332000 4031.7705 20477.1699 14378.3124 241.5383 -203547.0102 2856.7189 0.0000 0.0000 51899.3303 -109662.1698 298.2662 -161561.5002 -109303.0284 298.6984 -109.4486 -86.4849 760941.4054 13.0495 12.9234 PRESSURE: 4332200 96.3187 66.1205 -82.9777 66.1201 -262.451 254.245 -82.9772 254.245 -57.9345 GPRESSURE: 4332200 140.877 202.364 -51.7326 -75.8995 -248.599 252.192 53.6823 187.742 -30.1013 PRESSAVG: 4332200 -19.7754 6.08593 12.8912 6.08589 8.41119 21.1424 12.8912 21.1424 -9.97711 GPRESSAVG: 4332200 -20.0334 6.50589 11.7103 5.76314 8.81039 19.7563 11.1943 19.5215 -10.2066 TIMING: 4332200 CPU: 13533, 0.0031307/step Wall: 13533, 0.0031307/step, 0.580744 hours remaining, 233.953125 MB of memory in use. ENERGY: 4332200 3992.7926 20367.3129 14429.6073 243.8574 -203395.7894 2583.6462 0.0000 0.0000 52067.7565 -109710.8165 299.2341 -161778.5730 -109339.5435 298.5051 -74.6891 -45.9411 761379.9405 -7.1138 -7.1432 LDB: ============= START OF LOAD BALANCING ============== 13545.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13545.5 LDB: =============== DONE WITH MIGRATION ================ 13545.5 LDB: ============= START OF LOAD BALANCING ============== 13545.8 LDB: Largest compute 7031 load 0.029963 is 15.3% of average load 0.195265 LDB: Average compute 0.004372 is 2.2% of average load 0.195265 LDB: TIME 13545.8 LOAD: AVG 0.195265 MAX 0.217052 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.09 MB LDB: TIME 13545.8 LOAD: AVG 0.195265 MAX 0.217052 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.09 MB LDB: TIME 13545.8 LOAD: AVG 0.195265 MAX 0.217052 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.09 MB LDB: ============== END OF LOAD BALANCING =============== 13545.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13545.8 PRESSURE: 4332400 -69.4855 -170.438 -13.1692 -170.438 84.226 -96.5014 -13.1691 -96.5011 363.698 GPRESSURE: 4332400 -18.6619 -137.515 -53.1213 -88.6499 134.465 -133.971 -125.609 -68.397 344.585 PRESSAVG: 4332400 -20.0971 -23.0337 -3.68986 -23.0337 -3.45292 25.9623 -3.68986 25.9624 -5.99216 GPRESSAVG: 4332400 -21.18 -24.6357 -3.97599 -20.1233 -2.34951 27.13 -1.87624 25.1027 -5.93515 TIMING: 4332400 CPU: 13533.6, 0.0031843/step Wall: 13533.6, 0.0031843/step, 0.590511 hours remaining, 235.601562 MB of memory in use. ENERGY: 4332400 4004.8170 20375.0093 14499.3966 232.3508 -203304.0032 2624.1822 0.0000 0.0000 51821.9507 -109746.2966 297.8215 -161568.2473 -109379.0690 298.2215 126.1462 153.4625 760688.7636 -9.8474 -9.8215 PRESSURE: 4332600 -184.13 46.69 -120.229 46.69 -121.322 -90.5091 -120.229 -90.5081 -95.3692 GPRESSURE: 4332600 -254.494 10.038 -28.8041 97.1895 0.586102 -18.7559 -154.994 -27.4393 -48.8358 PRESSAVG: 4332600 -37.5538 -15.2758 46.0881 -15.2758 34.5218 -53.3887 46.0881 -53.3887 -7.04993 GPRESSAVG: 4332600 -38.4138 -14.3256 46.0297 -18.7364 34.301 -54.6441 45.7868 -51.8167 -6.42398 TIMING: 4332600 CPU: 13534.3, 0.00310608/step Wall: 13534.3, 0.00310608/step, 0.575834 hours remaining, 236.328125 MB of memory in use. ENERGY: 4332600 3967.6248 20268.8926 14494.7037 246.7997 -203171.7171 2472.7026 0.0000 0.0000 52076.6666 -109644.3270 299.2853 -161720.9937 -109266.3530 298.1907 -133.6073 -100.9147 761746.8150 -3.3607 -3.5123 PRESSURE: 4332800 -390.125 190.205 -29.5324 190.204 -62.1989 -56.3036 -29.5321 -56.3035 -101.767 GPRESSURE: 4332800 -274.994 293.04 57.4473 20.3521 -122.52 -81.9457 -63.5783 -29.1565 -75.4209 PRESSAVG: 4332800 -26.7635 75.3286 -70.5769 75.3287 26.576 -27.6686 -70.5769 -27.6686 -5.09901 GPRESSAVG: 4332800 -24.932 75.0232 -69.2997 77.9682 25.726 -27.4679 -69.1741 -27.3417 -6.07671 TIMING: 4332800 CPU: 13534.9, 0.00313748/step Wall: 13534.9, 0.00313748/step, 0.581479 hours remaining, 236.464844 MB of memory in use. ENERGY: 4332800 3967.9987 20412.2090 14410.4960 260.3718 -203139.7352 2454.0630 0.0000 0.0000 51924.1075 -109710.4894 298.4086 -161634.5969 -109362.4735 297.8962 -184.6971 -157.6450 761715.6100 -1.7622 -1.7609 PRESSURE: 4333000 -6.18733 131.609 24.0208 131.609 -138.233 191.337 24.0209 191.336 -360.81 GPRESSURE: 4333000 43.5605 82.355 -42.6985 73.9919 -211.04 218.772 -37.0707 142.558 -247.055 PRESSAVG: 4333000 -78.0504 37.0477 -26.2642 37.0478 24.4807 23.7063 -26.2642 23.7064 -19.8322 GPRESSAVG: 4333000 -78.0994 35.1964 -27.7611 36.1358 24.4451 24.6019 -29.1262 20.2404 -19.7901 TIMING: 4333000 CPU: 13535.5, 0.00315367/step Wall: 13535.5, 0.00315367/step, 0.584305 hours remaining, 236.464844 MB of memory in use. ENERGY: 4333000 4029.2808 20518.2325 14467.1087 229.1193 -203427.2446 2720.9336 0.0000 0.0000 51707.6116 -109754.9581 297.1644 -161462.5696 -109389.2419 298.4171 -168.4101 -138.1782 762656.5428 -24.4673 -24.4815 PRESSURE: 4333200 122.947 116.022 -288.403 116.022 234.066 295.998 -288.404 295.998 477.631 GPRESSURE: 4333200 102.925 160.437 -257.411 150.942 318.711 271.122 -348.247 229.925 481.336 PRESSAVG: 4333200 24.5623 47.6362 -51.2254 47.6361 -9.78595 39.6871 -51.2254 39.6871 11.9867 GPRESSAVG: 4333200 24.7978 47.7147 -48.8669 49.5671 -10.6325 38.7139 -50.5788 42.3786 11.901 TIMING: 4333200 CPU: 13536.1, 0.00312677/step Wall: 13536.1, 0.00312677/step, 0.579147 hours remaining, 236.464844 MB of memory in use. ENERGY: 4333200 3971.2196 20364.2158 14490.4818 253.8174 -203661.8241 3081.0637 0.0000 0.0000 51876.9875 -109624.0384 298.1378 -161501.0259 -109254.0599 298.2566 278.2145 300.9906 761237.2716 8.9210 8.6887 PRESSURE: 4333400 18.2961 207.985 195.888 207.986 -154.293 101.684 195.888 101.684 3.64079 GPRESSURE: 4333400 103.149 79.1765 186.293 204.928 -144.249 125.356 242.025 73.108 -5.16788 PRESSAVG: 4333400 -14.0387 36.3653 -12.9825 36.3652 17.2283 17.7775 -12.9824 17.7775 25.2406 GPRESSAVG: 4333400 -15.516 38.3627 -13.9284 33.334 18.722 17.329 -10.1484 18.6068 24.724 TIMING: 4333400 CPU: 13536.8, 0.0031405/step Wall: 13536.8, 0.0031405/step, 0.581517 hours remaining, 236.464844 MB of memory in use. ENERGY: 4333400 4026.0415 20419.5255 14493.3709 235.8719 -203483.8870 2549.2753 0.0000 0.0000 51864.1610 -109895.6408 298.0640 -161759.8019 -109532.9887 298.8165 -44.1188 -15.4228 761803.5218 9.4767 9.3100 PRESSURE: 4333600 -72.2511 120.351 -96.1415 120.352 171.372 197.019 -96.1424 197.019 43.3129 GPRESSURE: 4333600 -24.5384 9.84118 -95.1238 119.076 159.259 197.97 -192.993 44.0231 99.8171 PRESSAVG: 4333600 -17.0633 63.0436 -22.9627 63.0437 -1.04715 4.30117 -22.9628 4.30121 8.17123 GPRESSAVG: 4333600 -17.3975 60.9233 -22.8382 64.8538 -0.994853 4.07139 -24.7044 0.534377 8.44218 TIMING: 4333600 CPU: 13537.4, 0.00312571/step Wall: 13537.4, 0.00312571/step, 0.578604 hours remaining, 236.464844 MB of memory in use. ENERGY: 4333600 3900.5340 20338.4204 14432.8810 249.4106 -203009.7892 2435.5795 0.0000 0.0000 51872.7565 -109780.2071 298.1134 -161652.9636 -109417.0866 298.5961 47.4779 78.1792 761271.8612 -3.3131 -3.3167 PRESSURE: 4333800 -121.455 19.3355 35.3848 19.3354 -107.194 -102.682 35.3851 -102.682 121.664 GPRESSURE: 4333800 -113.6 17.8695 24.2696 -87.6649 3.44945 13.8387 64.444 -74.448 111.873 PRESSAVG: 4333800 2.05118 32.7828 35.7813 32.7829 12.7447 7.20805 35.7813 7.20806 -8.76384 GPRESSAVG: 4333800 1.43526 31.3193 34.8963 32.5336 12.1068 8.68778 36.4166 7.92088 -7.96313 TIMING: 4333800 CPU: 13538, 0.00311486/step Wall: 13538, 0.00311486/step, 0.576423 hours remaining, 236.464844 MB of memory in use. ENERGY: 4333800 4015.4999 20404.1227 14537.3819 247.4941 -203207.7640 2509.5137 0.0000 0.0000 51953.1689 -109540.5827 298.5756 -161493.7516 -109183.8981 298.6238 -35.6617 0.5742 761376.8274 2.0107 1.8596 PRESSURE: 4334000 259.175 -67.7469 54.4626 -67.7487 183.163 84.0719 54.4618 84.0721 280.812 GPRESSURE: 4334000 237.133 -73.6388 10.0867 -87.5456 231.046 42.7936 84.1669 35.8371 354.082 PRESSAVG: 4334000 13.7241 6.31724 -34.8029 6.31719 16.9678 19.6416 -34.8029 19.6416 0.984681 GPRESSAVG: 4334000 14.4898 7.27715 -34.1002 5.676 16.7876 17.7818 -35.0925 23.1059 -0.189933 TIMING: 4334000 CPU: 13538.6, 0.00312676/step Wall: 13538.6, 0.00312676/step, 0.57845 hours remaining, 236.464844 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: 4334000 3987.8287 20472.2301 14510.0416 243.4509 -203573.9391 2812.4650 0.0000 0.0000 51866.8557 -109681.0669 298.0795 -161547.9227 -109331.4085 298.5107 241.0500 274.0869 760079.4970 10.5589 10.3625 PRESSURE: 4334200 264.367 -72.0947 -46.6862 -72.0943 -266.223 -77.1443 -46.6865 -77.1443 -371.541 GPRESSURE: 4334200 230.962 -54.3546 -54.2131 -63.3156 -122.74 -111.894 -45.8645 132.544 -395.109 PRESSAVG: 4334200 37.7269 15.9446 27.0059 15.9447 -21.6619 -23.5981 27.006 -23.5981 17.6609 GPRESSAVG: 4334200 36.3669 16.235 25.907 17.642 -21.0407 -23.5001 25.8269 -24.6687 18.1381 TIMING: 4334200 CPU: 13539.3, 0.00312168/step Wall: 13539.3, 0.00312168/step, 0.577337 hours remaining, 236.464844 MB of memory in use. ENERGY: 4334200 4005.7642 20326.0917 14476.2312 233.8943 -203304.8624 2669.9646 0.0000 0.0000 51904.3758 -109688.5407 298.2952 -161592.9164 -109333.8591 297.9349 -124.4655 -95.6291 759830.8370 11.2419 11.1548 PRESSURE: 4334400 339.773 135.441 274.999 135.441 -81.2578 81.6779 274.999 81.6772 468.457 GPRESSURE: 4334400 291.792 170.799 208.928 55.8534 23.5273 103.718 198.88 117.362 475.736 PRESSAVG: 4334400 13.6576 50.4899 15.2833 50.4898 -38.5006 39.3983 15.2832 39.3983 -3.02658 GPRESSAVG: 4334400 14.7303 49.8423 17.1593 49.2524 -38.5619 40.5731 14.6643 38.8578 -3.51036 TIMING: 4334400 CPU: 13539.9, 0.00313553/step Wall: 13539.9, 0.00313553/step, 0.579725 hours remaining, 236.464844 MB of memory in use. ENERGY: 4334400 3930.2654 20346.7778 14452.0868 250.1158 -203608.7639 3091.5080 0.0000 0.0000 51980.3037 -109557.7066 298.7315 -161538.0102 -109196.5235 298.3906 242.3238 263.6851 761154.3953 -9.2899 -9.1140 PRESSURE: 4334600 79.9414 -8.37252 -81.5256 -8.37259 26.5375 -164.367 -81.5261 -164.367 -32.8727 GPRESSURE: 4334600 159.459 90.3532 -68.6088 62.9207 9.11649 -108.262 -36.8282 -131.834 -26.9957 PRESSAVG: 4334600 26.1236 54.337 -21.2279 54.337 -8.61548 30.4246 -21.2279 30.4246 23.7127 GPRESSAVG: 4334600 26.1387 55.8122 -21.1289 53.0686 -9.6956 30.2571 -20.9471 30.117 24.9326 TIMING: 4334600 CPU: 13540.5, 0.00313435/step Wall: 13540.5, 0.00313435/step, 0.579333 hours remaining, 236.464844 MB of memory in use. ENERGY: 4334600 3983.1092 20494.8996 14427.2490 253.8684 -203365.0119 2647.2187 0.0000 0.0000 51999.3596 -109559.3074 298.8410 -161558.6670 -109199.5595 298.5978 24.5354 47.1933 762871.9248 13.7403 13.7919 PRESSURE: 4334800 371.959 115.101 456.537 115.102 -75.1898 170.344 456.537 170.343 492.182 GPRESSURE: 4334800 341.459 194.716 494.597 130.808 -3.15072 222.232 488.212 162.71 515.587 PRESSAVG: 4334800 21.5885 29.6848 20.3728 29.6847 -41.4168 -5.98505 20.3728 -5.98497 9.10889 GPRESSAVG: 4334800 21.0029 32.4897 18.5556 29.8503 -40.1561 -6.69987 21.7473 -5.80443 8.46071 TIMING: 4334800 CPU: 13541.1, 0.0031136/step Wall: 13541.1, 0.0031136/step, 0.575324 hours remaining, 236.464844 MB of memory in use. ENERGY: 4334800 3953.0295 20509.3999 14481.4893 248.9254 -203539.0519 2802.3027 0.0000 0.0000 52112.2425 -109431.6627 299.4898 -161543.9052 -109061.8990 298.5872 262.9838 284.6317 761467.1041 -3.5731 -3.5642 PRESSURE: 4335000 -8.98078 -203.795 -60.1217 -203.795 -3.02436 175.762 -60.1212 175.762 -222.407 GPRESSURE: 4335000 38.0126 -145.146 -125.943 -205.834 1.13422 246.799 -41.1069 97.548 -196.035 PRESSAVG: 4335000 20.8896 -30.9677 -12.9174 -30.9676 -14.2103 17.5938 -12.9173 17.5938 -5.84066 GPRESSAVG: 4335000 22.2787 -33.106 -12.0037 -31.1991 -15.2713 19.3764 -12.286 18.99 -5.99125 TIMING: 4335000 CPU: 13541.8, 0.00310224/step Wall: 13541.8, 0.00310224/step, 0.573053 hours remaining, 236.464844 MB of memory in use. ENERGY: 4335000 3963.0459 20582.0397 14383.4526 238.2222 -202983.4482 2403.4519 0.0000 0.0000 52139.8271 -109273.4088 299.6483 -161413.2359 -108922.5527 299.0826 -78.1373 -52.2959 763400.1634 0.2795 0.3387 PRESSURE: 4335200 82.3049 -101.647 -114.188 -101.647 -33.0975 -111.638 -114.189 -111.639 21.1674 GPRESSURE: 4335200 64.1167 -95.6688 -70.7423 -176.181 2.57063 -155.391 -24.1335 6.07424 77.8457 PRESSAVG: 4335200 -10.419 -19.7164 -27.6015 -19.7165 28.3767 5.31729 -27.6015 5.31724 2.27947 GPRESSAVG: 4335200 -11.0825 -19.4951 -28.7473 -18.3034 28.4222 2.805 -29.0506 5.21151 2.80947 TIMING: 4335200 CPU: 13542.4, 0.00310637/step Wall: 13542.4, 0.00310637/step, 0.573643 hours remaining, 236.464844 MB of memory in use. ENERGY: 4335200 3908.5279 20321.2744 14524.0058 247.5396 -202763.9181 2432.3173 0.0000 0.0000 51963.7845 -109366.4686 298.6366 -161330.2531 -109010.1112 298.7327 23.4583 48.1777 762652.6091 6.7457 6.7164 PRESSURE: 4335400 -199.379 -32.7261 246.841 -32.7265 30.432 144.632 246.84 144.63 -343.926 GPRESSURE: 4335400 -152.022 23.772 337.363 -90.573 100.064 235.797 193.44 69.036 -363.128 PRESSAVG: 4335400 17.9507 -41.1689 -1.70945 -41.1689 3.0669 -6.2968 -1.70949 -6.29672 -9.15045 GPRESSAVG: 4335400 17.2947 -40.6546 0.169088 -41.4435 4.46237 -4.84367 -1.94479 -6.96112 -9.23451 TIMING: 4335400 CPU: 13543, 0.00310797/step Wall: 13543, 0.00310797/step, 0.573766 hours remaining, 236.464844 MB of memory in use. ENERGY: 4335400 4006.7316 20417.8631 14437.6690 252.7750 -202910.3925 2619.0129 0.0000 0.0000 51923.4394 -109252.9015 298.4047 -161176.3409 -108896.4921 298.3399 -170.9577 -138.3619 762970.6797 3.9557 4.1742 PRESSURE: 4335600 -380.576 -87.4902 -151.882 -87.4907 181.273 -213.597 -151.881 -213.596 97.4581 GPRESSURE: 4335600 -321.125 -28.4002 -90.0833 -89.8748 231.71 -178.869 -177.182 -197.681 79.9515 PRESSAVG: 4335600 -58.5387 -0.308785 31.9712 -0.308792 66.1789 -4.25665 31.9712 -4.25666 13.3822 GPRESSAVG: 4335600 -58.6419 -1.49661 31.5411 0.783478 65.6205 -4.00673 31.7968 -5.91696 14.2556 TIMING: 4335600 CPU: 13543.6, 0.00309954/step Wall: 13543.6, 0.00309953/step, 0.572036 hours remaining, 236.464844 MB of memory in use. ENERGY: 4335600 3949.4388 20505.0337 14468.4922 247.6898 -203170.1633 2771.8347 0.0000 0.0000 51918.9332 -109308.7408 298.3788 -161227.6741 -108957.2602 298.7369 -33.9484 -3.1544 763493.4966 7.0075 7.0781 PRESSURE: 4335800 -100.909 188.55 24.8386 188.55 17.5015 -90.8709 24.8388 -90.8719 -296.595 GPRESSURE: 4335800 -118.349 166.997 -51.1653 10.2229 25.6788 -112.314 -23.7855 -76.1724 -206.741 PRESSAVG: 4335800 -22.5424 -3.71869 28.4117 -3.7187 24.0795 -25.6918 28.4118 -25.6918 -5.49285 GPRESSAVG: 4335800 -22.1214 -3.18076 28.8902 -7.55196 23.5095 -25.6476 29.128 -24.3578 -5.01949 TIMING: 4335800 CPU: 13544.3, 0.00310251/step Wall: 13544.3, 0.00310251/step, 0.572413 hours remaining, 236.464844 MB of memory in use. ENERGY: 4335800 4088.2595 20422.7464 14490.4957 242.1911 -203012.2332 2444.2328 0.0000 0.0000 52065.1604 -109259.1474 299.2192 -161324.3077 -108894.8414 299.2167 -126.6674 -99.8037 762811.6573 -1.3186 -1.2105 PRESSURE: 4336000 -136.044 185.325 148.398 185.324 -376.131 14.6666 148.398 14.6671 145.202 GPRESSURE: 4336000 -113.719 182.319 173.842 128.821 -289.241 22.069 42.4178 201.677 122.923 PRESSAVG: 4336000 27.186 28.3312 35.1788 28.3313 -10.1638 -39.507 35.1788 -39.5069 0.468633 GPRESSAVG: 4336000 27.7578 30.0627 36.19 28.624 -8.59989 -42.3236 33.1561 -40.2996 -1.5997 TIMING: 4336000 CPU: 13544.9, 0.00310743/step Wall: 13544.9, 0.00310743/step, 0.573149 hours remaining, 236.464844 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: 4336000 3957.0643 20347.3446 14463.5230 228.3376 -203293.4600 2884.2209 0.0000 0.0000 51991.5967 -109421.3729 298.7964 -161412.9696 -109061.0592 299.1217 -122.3244 -93.3457 762983.5900 5.8303 5.8527 PRESSURE: 4336200 -11.6062 -144.072 -126.926 -144.073 211.932 152.974 -126.927 152.975 -16.8414 GPRESSURE: 4336200 17.8875 -75.9771 -82.5509 -91.4318 342.197 132.648 -244.586 13.1597 -83.3087 PRESSAVG: 4336200 8.44921 48.2651 -11.2276 48.2651 19.8334 17.1129 -11.2277 17.1129 3.01884 GPRESSAVG: 4336200 7.78233 46.0829 -11.4852 48.1382 20.1216 18.6393 -9.21656 18.5777 3.70234 TIMING: 4336200 CPU: 13545.5, 0.00311669/step Wall: 13545.5, 0.00311669/step, 0.574683 hours remaining, 236.464844 MB of memory in use. ENERGY: 4336200 3973.6033 20498.4867 14445.5204 247.2662 -203493.1526 2823.8572 0.0000 0.0000 52020.0932 -109484.3258 298.9602 -161504.4189 -109133.5455 299.0650 61.1615 92.2586 761518.7980 10.4338 10.5354 LDB: ============= START OF LOAD BALANCING ============== 13558 LDB: ============== END OF LOAD BALANCING =============== 13558 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13558 LDB: ============= START OF LOAD BALANCING ============== 13558.3 LDB: Largest compute 7077 load 0.030403 is 15.6% of average load 0.195312 LDB: Average compute 0.004383 is 2.2% of average load 0.195312 LDB: TIME 13558.3 LOAD: AVG 0.195312 MAX 0.216967 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.355 MB LDB: TIME 13558.3 LOAD: AVG 0.195312 MAX 0.216967 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.379 MB LDB: TIME 13558.3 LOAD: AVG 0.195312 MAX 0.216967 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.379 MB LDB: ============== END OF LOAD BALANCING =============== 13558.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13558.3 PRESSURE: 4336400 81.9401 -23.3831 76.391 -23.3841 -174.247 160.206 76.3907 160.205 128.057 GPRESSURE: 4336400 38.0985 50.411 55.4286 -32.3503 -27.3769 154.166 -67.2742 193.926 125.211 PRESSAVG: 4336400 -33.1255 -8.68111 17.1229 -8.68116 73.4102 3.4248 17.1229 3.42485 -16.0844 GPRESSAVG: 4336400 -33.8084 -8.53176 16.1649 -6.46366 73.4053 4.24953 17.1416 2.68353 -15.6708 TIMING: 4336400 CPU: 13546.1, 0.00317199/step Wall: 13546.1, 0.00317199/step, 0.584704 hours remaining, 235.089844 MB of memory in use. ENERGY: 4336400 3956.4930 20477.2201 14475.5468 244.9589 -203361.9755 2864.9938 0.0000 0.0000 51982.4072 -109360.3558 298.7436 -161342.7630 -109007.5949 298.6215 11.9167 45.3110 764907.7138 8.0667 7.9754 PRESSURE: 4336600 -369.481 53.5185 -210.949 53.5189 -15.9059 -216.981 -210.949 -216.981 -144.994 GPRESSURE: 4336600 -353.527 -49.0856 -180.005 118.576 50.0365 -203.501 -76.2827 -131.229 -146.98 PRESSAVG: 4336600 -29.8123 -7.3259 25.1955 -7.32588 29.4419 21.0953 25.1956 21.0952 -5.82288 GPRESSAVG: 4336600 -28.8826 -7.05074 24.8792 -6.9082 28.1071 20.3918 25.0402 21.7578 -6.05855 TIMING: 4336600 CPU: 13546.8, 0.0031259/step Wall: 13546.8, 0.0031259/step, 0.576034 hours remaining, 235.148438 MB of memory in use. ENERGY: 4336600 3968.3577 20473.3699 14593.5169 239.6377 -203290.0749 2769.6128 0.0000 0.0000 52089.0061 -109156.5739 299.3562 -161245.5800 -108799.7799 298.3517 -176.7937 -150.1568 763909.7313 -2.0644 -2.2780 PRESSURE: 4336800 -508.499 19.322 -104.811 19.322 -616.644 69.8046 -104.811 69.8048 6.20058 GPRESSURE: 4336800 -459.34 60.7379 -45.0223 72.7174 -515.666 73.8819 -63.6283 167.911 -63.7642 PRESSAVG: 4336800 26.8713 6.12884 21.0779 6.12885 2.20037 26.8006 21.0779 26.8005 1.96761 GPRESSAVG: 4336800 26.7087 5.802 21.5736 7.70329 2.60745 26.0457 22.3893 26.2463 1.85602 TIMING: 4336800 CPU: 13547.4, 0.00312531/step Wall: 13547.4, 0.00312531/step, 0.575752 hours remaining, 235.148438 MB of memory in use. ENERGY: 4336800 4047.7734 20453.5342 14585.0916 241.4012 -203383.7588 2664.7484 0.0000 0.0000 52215.5667 -109175.6434 300.0836 -161391.2101 -108812.7008 299.7202 -372.9810 -346.2565 766347.8590 10.3464 10.3907 PRESSURE: 4337000 90.5045 41.912 0.951647 41.9115 343.541 359.111 0.951934 359.111 -148.442 GPRESSURE: 4337000 178.688 14.6102 33.0873 63.1862 311.626 297.852 -50.1058 266.723 -107.277 PRESSAVG: 4337000 -50.5053 46.4751 24.7565 46.4751 41.3634 44.3676 24.7565 44.3676 0.73188 GPRESSAVG: 4337000 -50.1291 47.5197 22.8201 44.5019 41.0946 44.8977 24.4642 44.1504 1.23511 TIMING: 4337000 CPU: 13548, 0.00311133/step Wall: 13548, 0.00311133/step, 0.573003 hours remaining, 235.148438 MB of memory in use. ENERGY: 4337000 4088.0903 20662.3477 14584.0524 242.4514 -203247.2330 2513.0163 0.0000 0.0000 52184.7191 -108972.5558 299.9063 -161157.2749 -108622.3488 299.7356 95.2012 127.6789 762285.5234 -2.8033 -2.5998 PRESSURE: 4337200 -758.869 58.0841 94.8644 58.084 -3.75393 -113.122 94.864 -113.121 1.5882 GPRESSURE: 4337200 -691.444 90.6879 71.2386 -2.92767 8.91262 -107.581 -14.7465 -56.0436 -5.94287 PRESSAVG: 4337200 -71.5509 36.6295 -43.2082 36.6294 98.0383 33.8812 -43.2081 33.8812 -0.197061 GPRESSAVG: 4337200 -72.5218 37.1682 -43.9576 36.5758 97.6896 34.0343 -43.5326 32.9583 0.377332 TIMING: 4337200 CPU: 13548.6, 0.00309913/step Wall: 13548.6, 0.00309913/step, 0.570584 hours remaining, 235.226562 MB of memory in use. ENERGY: 4337200 3969.2329 20582.7793 14479.8594 247.4961 -202932.9153 2445.3153 0.0000 0.0000 52007.8984 -109200.3339 298.8901 -161208.2323 -108830.7713 300.1059 -253.6783 -229.4914 764439.1767 8.7634 8.5150 PRESSURE: 4337400 -30.5893 -33.1866 78.4567 -33.1872 -181.593 -43.9738 78.4568 -43.9734 175.722 GPRESSURE: 4337400 -60.5177 -61.5216 121.003 -26.7856 -138.657 -81.2907 93.1383 40.03 251.124 PRESSAVG: 4337400 -17.9001 44.2968 12.7909 44.2968 -6.91168 10.1315 12.7908 10.1315 47.6599 GPRESSAVG: 4337400 -18.1167 41.4504 14.8117 44.0457 -5.4611 8.74611 10.2325 10.9848 46.0764 TIMING: 4337400 CPU: 13549.2, 0.0031103/step Wall: 13549.2, 0.0031103/step, 0.572468 hours remaining, 235.226562 MB of memory in use. ENERGY: 4337400 3977.9304 20407.1915 14465.9715 250.6319 -203740.6657 2982.7658 0.0000 0.0000 52297.3038 -109358.8707 300.5533 -161656.1746 -108982.3275 299.5447 -12.1535 17.3167 762117.5871 7.6160 7.4995 PRESSURE: 4337600 -404.037 -14.5438 -142.492 -14.5432 -211.36 27.0987 -142.491 27.0992 -222.508 GPRESSURE: 4337600 -298.998 46.4376 -193.852 -26.1861 -263.214 49.5178 -109.744 -20.6508 -181.284 PRESSAVG: 4337600 5.16905 12.8153 13.2087 12.8154 32.4691 -10.469 13.2088 -10.469 -17.8454 GPRESSAVG: 4337600 5.76601 12.2732 14.3238 15.5228 31.1758 -10.381 15.3664 -9.75432 -17.2828 TIMING: 4337600 CPU: 13549.9, 0.00311432/step Wall: 13549.9, 0.00311432/step, 0.573034 hours remaining, 235.226562 MB of memory in use. ENERGY: 4337600 3943.6466 20631.8468 14487.8589 231.7166 -203171.4144 2566.5690 0.0000 0.0000 51910.1978 -109399.5787 298.3286 -161309.7765 -109031.2385 299.4252 -279.3016 -247.8318 763832.8547 6.5976 6.5530 PRESSURE: 4337800 6.73944 84.9112 165.933 84.9112 -65.2338 109.865 165.934 109.865 49.7605 GPRESSURE: 4337800 94.9606 59.4456 182.455 -83.2289 58.4692 105.355 198.755 47.5144 -57.3042 PRESSAVG: 4337800 -11.2105 -16.3909 -3.76146 -16.3909 -3.80863 39.8307 -3.76145 39.8307 9.22566 GPRESSAVG: 4337800 -10.9156 -15.6249 -5.50986 -19.7956 -4.59542 41.1617 -2.9989 38.5707 10.0001 TIMING: 4337800 CPU: 13550.5, 0.00311368/step Wall: 13550.5, 0.00311368/step, 0.572745 hours remaining, 235.226562 MB of memory in use. ENERGY: 4337800 3989.3641 20461.2645 14505.4926 244.7735 -203445.9751 2742.6935 0.0000 0.0000 52045.1747 -109457.2123 299.1043 -161502.3870 -109090.4962 298.7675 -2.9113 32.0418 761779.2333 -1.9311 -1.8370 PRESSURE: 4338000 -233.991 109.883 -94.4577 109.883 -21.4115 -122.119 -94.4576 -122.119 -128.976 GPRESSURE: 4338000 -254.857 -4.17635 -68.9067 91.059 52.2591 -103.982 -248.676 -17.3538 -100.235 PRESSAVG: 4338000 -59.2291 24.4326 31.8068 24.4326 43.0859 8.47488 31.8068 8.47489 5.34203 GPRESSAVG: 4338000 -59.9283 24.8563 32.5992 25.077 43.7464 9.36075 31.4641 9.51469 5.47104 TIMING: 4338000 CPU: 13551.1, 0.00310486/step Wall: 13551.1, 0.00310486/step, 0.570949 hours remaining, 235.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4338000 3918.8593 20663.1715 14567.9018 250.3040 -202927.7878 2339.2257 0.0000 0.0000 51877.2658 -109311.0596 298.1394 -161188.3255 -108957.2188 299.2192 -128.1260 -100.9444 762370.3948 -3.6004 -3.5703 PRESSURE: 4338200 -63.6915 -41.7374 95.8463 -41.7375 226.601 68.2596 95.846 68.2594 -89.947 GPRESSURE: 4338200 4.43495 -54.0055 111.157 -55.274 171.777 72.4764 81.458 191.373 -37.8504 PRESSAVG: 4338200 -22.2819 -40.3619 49.6019 -40.3618 85.863 99.7757 49.602 99.7758 17.6846 GPRESSAVG: 4338200 -22.1921 -40.6628 51.1926 -38.5766 85.0689 97.9525 47.6572 100.566 18.5791 TIMING: 4338200 CPU: 13551.7, 0.00310414/step Wall: 13551.7, 0.00310414/step, 0.570644 hours remaining, 235.226562 MB of memory in use. ENERGY: 4338200 3937.3886 20595.5871 14602.2743 227.3430 -203274.6840 2541.2415 0.0000 0.0000 52047.8179 -109323.0316 299.1195 -161370.8495 -108971.4195 298.5707 24.3210 46.1207 762522.5553 27.0886 27.1520 PRESSURE: 4338400 -194.841 -18.0617 123.97 -18.0617 -145.351 -165.95 123.969 -165.951 -55.7285 GPRESSURE: 4338400 -213.496 29.3346 133.261 107.17 -72.5341 -156.92 169.078 -296.902 -19.5921 PRESSAVG: 4338400 -4.79934 -4.39454 38.5089 -4.39459 74.8898 55.4461 38.5089 55.4461 18.9731 GPRESSAVG: 4338400 -5.8046 -4.55695 36.9851 -5.97868 76.2514 53.7301 40.0605 55.7433 18.0583 TIMING: 4338400 CPU: 13552.4, 0.00310593/step Wall: 13552.4, 0.00310593/step, 0.570801 hours remaining, 235.226562 MB of memory in use. ENERGY: 4338400 3994.6215 20548.9076 14521.5256 244.0740 -202791.4357 2447.1694 0.0000 0.0000 51837.5671 -109197.5705 297.9112 -161035.1376 -108839.9308 298.9544 -131.9735 -101.8740 763450.8028 29.6878 29.5017 PRESSURE: 4338600 -249.687 133.302 -75.1731 133.302 166.425 26.3767 -75.1733 26.3753 -131.658 GPRESSURE: 4338600 -189.731 123.478 -19.3273 103.263 188.275 69.2817 -220.98 34.0191 -143.504 PRESSAVG: 4338600 -58.2235 15.3794 1.31748 15.3794 93.3514 9.77868 1.31747 9.77867 11.5195 GPRESSAVG: 4338600 -57.3267 16.2264 1.43246 16.3928 92.9654 12.0221 0.0834903 7.56089 10.6588 TIMING: 4338600 CPU: 13553, 0.00311263/step Wall: 13553, 0.00311263/step, 0.571859 hours remaining, 235.226562 MB of memory in use. ENERGY: 4338600 4033.1388 20556.1409 14607.2061 247.8892 -203533.7348 2762.7113 0.0000 0.0000 52132.4366 -109194.2118 299.6058 -161326.6485 -108842.0199 299.1532 -71.6397 -48.3200 762442.0849 15.5491 15.4325 PRESSURE: 4338800 176.639 175.948 -228.846 175.948 -231.353 -7.78727 -228.845 -7.7888 -419.296 GPRESSURE: 4338800 131.987 32.1266 -95.7562 154.389 -159.075 -22.7631 -172.842 35.0255 -368.816 PRESSAVG: 4338800 -3.81461 13.2535 13.7393 13.2535 -0.724404 -21.3028 13.7392 -21.3029 -6.94632 GPRESSAVG: 4338800 -4.38836 13.5535 12.7658 12.3064 -0.35092 -22.5649 15.0219 -21.9489 -7.56001 TIMING: 4338800 CPU: 13553.6, 0.00311041/step Wall: 13553.6, 0.00311041/step, 0.571278 hours remaining, 235.226562 MB of memory in use. ENERGY: 4338800 4086.4607 20383.4512 14513.0783 253.3063 -202451.0097 2321.1138 0.0000 0.0000 52145.7493 -108747.8502 299.6823 -160893.5995 -108381.5120 299.8927 -158.0031 -131.9682 764434.2159 -3.8284 -4.0998 PRESSURE: 4339000 0.909848 -37.8249 -7.93575 -37.8249 416.549 81.9059 -7.9343 81.9058 189.427 GPRESSURE: 4339000 108.955 96.527 -4.72416 -10.8806 389.898 119.463 -70.7047 151.881 188.189 PRESSAVG: 4339000 -41.5596 26.7574 -26.5487 26.7574 41.0648 39.8429 -26.5486 39.8429 1.21776 GPRESSAVG: 4339000 -42.1708 27.5521 -28.4205 27.3388 40.5261 40.9762 -23.2939 42.3014 1.82955 TIMING: 4339000 CPU: 13554.2, 0.00312197/step Wall: 13554.2, 0.00312197/step, 0.573228 hours remaining, 235.226562 MB of memory in use. ENERGY: 4339000 3977.2461 20556.2372 14511.0068 243.2170 -202943.1761 2785.4909 0.0000 0.0000 52057.9406 -108812.0375 299.1777 -160869.9781 -108457.0674 299.8420 202.2952 229.0138 765213.8502 0.2410 0.0616 PRESSURE: 4339200 144.539 -120.362 174.796 -120.362 -48.6786 -29.7915 174.796 -29.7916 -109.714 GPRESSURE: 4339200 242.376 -203.435 157.324 -46.1101 -90.7255 -105.66 153.792 -104.959 -63.2076 PRESSAVG: 4339200 -38.083 10.2144 -4.12462 10.2145 51.7246 26.4946 -4.12465 26.4946 -9.38061 GPRESSAVG: 4339200 -37.1217 10.0697 -4.08469 9.74623 50.3059 25.6104 -7.79651 25.6266 -8.58937 TIMING: 4339200 CPU: 13554.9, 0.00316113/step Wall: 13554.9, 0.00316113/step, 0.580243 hours remaining, 235.214844 MB of memory in use. ENERGY: 4339200 4007.5739 20503.6095 14414.7586 230.6714 -202847.1747 2511.3641 0.0000 0.0000 52141.8107 -109037.3865 299.6597 -161179.1972 -108686.6944 299.6957 -4.6178 29.4808 763828.1775 1.4204 1.5316 PRESSURE: 4339400 -152.11 -131.006 -34.7754 -131.007 8.26985 -173.911 -34.7744 -173.91 20.8589 GPRESSURE: 4339400 -131.494 -38.7613 32.0088 -2.08356 -17.2008 -45.6983 -58.6776 -215.803 106.737 PRESSAVG: 4339400 -26.1827 8.85695 1.01246 8.857 -32.1982 1.43465 1.01247 1.43472 1.6348 GPRESSAVG: 4339400 -25.658 11.2632 3.73675 9.08028 -31.9288 2.35791 0.355585 -0.524787 1.08238 TIMING: 4339400 CPU: 13555.5, 0.00313197/step Wall: 13555.5, 0.00313197/step, 0.574717 hours remaining, 235.226562 MB of memory in use. ENERGY: 4339400 3879.1544 20406.6793 14537.5803 235.1167 -202977.9469 2572.4771 0.0000 0.0000 52052.8599 -109294.0791 299.1485 -161346.9391 -108931.6232 299.0530 -40.9937 -13.9859 764142.9786 -18.9154 -18.8348 PRESSURE: 4339600 -323.185 161.454 116.394 161.455 -564.109 -5.0956 116.395 -5.09613 -60.3336 GPRESSURE: 4339600 -360.854 55.4474 140.771 78.7223 -471.972 -106.342 166.03 74.4224 -17.4114 PRESSAVG: 4339600 21.9396 -33.4526 28.9923 -33.4527 33.6461 24.5953 28.9923 24.5953 -11.1671 GPRESSAVG: 4339600 20.9394 -35.0055 28.0713 -31.63 34.9659 24.2436 31.0931 28.3769 -11.9145 TIMING: 4339600 CPU: 13556.1, 0.00311475/step Wall: 13556.1, 0.00311475/step, 0.571383 hours remaining, 235.226562 MB of memory in use. ENERGY: 4339600 3906.1348 20527.6380 14478.5016 228.6327 -202634.6374 2104.3551 0.0000 0.0000 52107.8927 -109281.4825 299.4648 -161389.3752 -108924.6100 299.0851 -315.8760 -283.4123 764775.7032 14.8062 14.6636 PRESSURE: 4339800 -264.091 -68.3051 19.3203 -68.3049 -129.109 301.672 19.3202 301.673 342.157 GPRESSURE: 4339800 -301.449 -38.1661 122.997 -59.2369 -89.7136 232.321 -133.135 103.152 411.117 PRESSAVG: 4339800 -12.4285 -36.0518 30.619 -36.0518 6.59162 53.0912 30.619 53.0912 17.8312 GPRESSAVG: 4339800 -12.1924 -34.6779 32.6475 -39.2516 6.10213 52.333 27.8305 50.2392 18.0244 TIMING: 4339800 CPU: 13556.7, 0.00309727/step Wall: 13556.7, 0.00309727/step, 0.568004 hours remaining, 235.226562 MB of memory in use. ENERGY: 4339800 3942.5776 20509.9504 14492.3411 243.8591 -203076.0000 2441.4175 0.0000 0.0000 52183.4494 -109262.4050 299.8990 -161445.8544 -108896.3263 299.1971 -17.0141 6.6514 760512.6172 3.9981 3.9781 PRESSURE: 4340000 337.97 48.631 77.7391 48.6305 88.0768 -108.777 77.7395 -108.776 120.541 GPRESSURE: 4340000 303.564 -37.9113 60.3633 11.9537 152.926 -196.818 -1.38487 -112.167 178.377 PRESSAVG: 4340000 -28.8758 19.6836 3.78673 19.6837 24.5214 38.6277 3.78672 38.6277 -2.79003 GPRESSAVG: 4340000 -29.3614 18.1715 0.888666 20.2952 24.56 39.7464 6.30039 38.798 -2.6507 TIMING: 4340000 CPU: 13557.3, 0.00311181/step Wall: 13557.3, 0.00311181/step, 0.570498 hours remaining, 235.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4340000 3850.8443 20465.4910 14537.6797 256.9408 -202928.0867 2546.9189 0.0000 0.0000 52061.4174 -109208.7945 299.1977 -161270.2120 -108851.9707 299.1373 182.1960 211.6223 761338.0843 -2.3815 -2.4840 PRESSURE: 4340200 -117.545 36.3669 -52.2754 36.3675 17.0896 138.65 -52.2751 138.65 176.653 GPRESSURE: 4340200 -88.7624 87.9953 -130.164 8.77449 -7.2857 128.203 -53.3657 74.8447 240.017 PRESSAVG: 4340200 6.22194 8.06718 -1.59759 8.06713 10.75 -14.7832 -1.59761 -14.7832 -20.8811 GPRESSAVG: 4340200 5.99105 8.76691 -1.47878 9.61813 10.9649 -15.7003 -3.13218 -15.4456 -21.2229 TIMING: 4340200 CPU: 13558, 0.00310794/step Wall: 13558, 0.00310794/step, 0.569617 hours remaining, 235.226562 MB of memory in use. ENERGY: 4340200 3957.8483 20380.9594 14455.3995 240.2660 -202526.8355 2309.7980 0.0000 0.0000 51907.9708 -109274.5935 298.3158 -161182.5643 -108916.2777 298.9961 25.3990 47.9897 763495.9584 -1.3030 -1.4223 LDB: ============= START OF LOAD BALANCING ============== 13570.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13570.4 LDB: =============== DONE WITH MIGRATION ================ 13570.5 LDB: ============= START OF LOAD BALANCING ============== 13570.8 LDB: Largest compute 7031 load 0.030606 is 15.7% of average load 0.195269 LDB: Average compute 0.004390 is 2.2% of average load 0.195269 LDB: TIME 13570.8 LOAD: AVG 0.195269 MAX 0.214557 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.238 MB LDB: TIME 13570.8 LOAD: AVG 0.195269 MAX 0.214557 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.238 MB LDB: TIME 13570.8 LOAD: AVG 0.195269 MAX 0.214557 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.238 MB LDB: ============== END OF LOAD BALANCING =============== 13570.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13570.8 PRESSURE: 4340400 -109.979 76.0933 86.7178 76.0933 -292.745 85.8378 86.7173 85.8381 -61.2943 GPRESSURE: 4340400 -133.597 -4.60085 167.247 112.392 -210.504 64.1623 33.2327 77.1176 -11.9079 PRESSAVG: 4340400 30.7314 60.0079 -18.9405 60.0079 -2.44527 3.73636 -18.9405 3.73631 24.7908 GPRESSAVG: 4340400 31.5515 58.2517 -18.0334 59.5813 -3.46917 3.80795 -17.1347 4.6852 24.557 TIMING: 4340400 CPU: 13558.6, 0.0031994/step Wall: 13558.6, 0.0031994/step, 0.586202 hours remaining, 233.750000 MB of memory in use. ENERGY: 4340400 4031.6305 20493.4457 14493.2286 238.9514 -203079.5279 2669.5260 0.0000 0.0000 51806.6678 -109346.0780 297.7336 -161152.7457 -109001.4574 299.1380 -154.6729 -118.6697 763617.2944 17.6923 17.5464 PRESSURE: 4340600 -166.304 152.204 82.642 152.203 -376.035 -137.608 82.6417 -137.607 -74.5931 GPRESSURE: 4340600 -62.4999 200.028 41.017 70.5227 -289.876 -82.086 105.083 -66.0369 -166.35 PRESSAVG: 4340600 -9.24731 6.47369 1.14597 6.47364 19.1249 -9.35735 1.14604 -9.35727 -10.5905 GPRESSAVG: 4340600 -9.51089 7.49152 3.75848 4.88293 19.5454 -8.78591 -1.2649 -10.5371 -11.2725 TIMING: 4340600 CPU: 13559.2, 0.00311697/step Wall: 13559.2, 0.00311697/step, 0.570926 hours remaining, 233.953125 MB of memory in use. ENERGY: 4340600 3935.6622 20502.8569 14528.2439 260.6302 -202517.5743 2206.5932 0.0000 0.0000 51771.0572 -109312.5307 297.5290 -161083.5879 -108955.6837 298.6931 -205.6440 -172.9086 763822.3494 -0.2377 -0.4127 PRESSURE: 4340800 248.221 -56.8832 -11.5636 -56.8832 -36.1669 86.1545 -11.5635 86.1546 -34.479 GPRESSURE: 4340800 280.354 -119.342 -23.8993 -60.7413 -7.04868 37.2674 -81.8373 183.56 0.986403 PRESSAVG: 4340800 -9.12867 -13.4741 -29.4462 -13.4741 -35.0201 -41.3443 -29.4462 -41.3443 16.0786 GPRESSAVG: 4340800 -9.75654 -14.0839 -31.0862 -13.278 -35.2383 -41.5732 -26.3151 -40.2208 16.7901 TIMING: 4340800 CPU: 13559.9, 0.00312985/step Wall: 13559.9, 0.00312984/step, 0.573109 hours remaining, 233.953125 MB of memory in use. ENERGY: 4340800 3935.7766 20511.2115 14559.2424 270.8547 -203283.9958 2660.2288 0.0000 0.0000 52278.5457 -109068.1361 300.4455 -161346.6819 -108719.0513 299.3330 59.1918 91.4307 760304.0108 -9.3567 -9.4016 PRESSURE: 4341000 -1.46537 -176.555 -151.335 -176.555 6.50828 38.2283 -151.335 38.2274 -437.586 GPRESSURE: 4341000 11.4016 -133.065 -192.945 -184.102 6.06459 -23.2552 -98.8553 -8.9927 -378.811 PRESSAVG: 4341000 -38.1847 -20.2854 -33.8474 -20.2854 27.9462 -4.45018 -33.8474 -4.45016 -22.2181 GPRESSAVG: 4341000 -37.4021 -20.2473 -34.6 -20.4119 26.9378 -5.09584 -36.529 -5.15282 -22.592 TIMING: 4341000 CPU: 13560.5, 0.00310371/step Wall: 13560.5, 0.00310371/step, 0.568151 hours remaining, 233.953125 MB of memory in use. ENERGY: 4341000 3981.7542 20709.6256 14600.7191 253.9011 -203263.9954 2589.1700 0.0000 0.0000 52085.6942 -109043.1313 299.3372 -161128.8255 -108682.1689 299.7996 -144.1809 -120.4483 761656.3342 -10.8189 -11.0188 PRESSURE: 4341200 24.5052 -123.226 -33.277 -123.226 -187.749 62.8144 -33.2762 62.8131 -283.617 GPRESSURE: 4341200 25.6586 -59.8613 -136.943 -125.417 -127.618 59.9906 -18.5953 69.2215 -254.89 PRESSAVG: 4341200 1.03998 -1.04589 -32.3121 -1.0459 61.6451 -44.6506 -32.3121 -44.6506 -19.948 GPRESSAVG: 4341200 0.016008 -1.43343 -32.8543 1.6322 61.7033 -41.7139 -29.8359 -46.164 -18.6433 TIMING: 4341200 CPU: 13561.1, 0.00311338/step Wall: 13561.1, 0.00311338/step, 0.569749 hours remaining, 233.953125 MB of memory in use. ENERGY: 4341200 4113.7095 20729.2021 14561.0221 267.3076 -203162.9241 2595.8794 0.0000 0.0000 51921.4828 -108974.3207 298.3935 -160895.8034 -108605.7858 299.3938 -148.9535 -118.9496 762406.0990 14.2457 14.3587 PRESSURE: 4341400 28.2514 -116.688 -255.187 -116.687 -16.3428 -230.619 -255.187 -230.618 -131.652 GPRESSURE: 4341400 67.8848 -113.465 -281.807 -80.612 -2.76104 -267.14 -221.514 -179.649 -124.655 PRESSAVG: 4341400 11.3299 -24.6505 -35.5134 -24.6505 2.47845 17.2043 -35.5134 17.2043 -24.529 GPRESSAVG: 4341400 10.6582 -25.8739 -35.1311 -25.8495 3.59615 14.9537 -34.2392 16.9837 -24.9775 TIMING: 4341400 CPU: 13561.7, 0.00312141/step Wall: 13561.7, 0.00312141/step, 0.571044 hours remaining, 233.953125 MB of memory in use. ENERGY: 4341400 4035.9334 20563.6675 14539.4029 266.2381 -203164.7192 2680.7963 0.0000 0.0000 52130.5784 -108948.1026 299.5952 -161078.6810 -108587.1553 300.0695 -39.9146 -19.8438 762906.3043 -3.5735 -3.5744 PRESSURE: 4341600 151.901 119.55 44.1087 119.55 -154.878 -185.909 44.1079 -185.909 155.11 GPRESSURE: 4341600 244.516 121.875 -9.46128 18.1462 -205.291 -142.946 2.75845 -145.006 190.143 PRESSAVG: 4341600 -40.0006 17.8905 -17.3825 17.8905 16.637 7.39891 -17.3826 7.39893 11.6002 GPRESSAVG: 4341600 -39.7557 20.2203 -15.575 16.1503 16.994 7.86928 -18.8888 10.0787 11.0548 TIMING: 4341600 CPU: 13562.4, 0.00313463/step Wall: 13562.4, 0.00313463/step, 0.573289 hours remaining, 233.953125 MB of memory in use. ENERGY: 4341600 4028.0011 20606.6947 14595.6696 272.4210 -203434.8553 2853.4537 0.0000 0.0000 52053.0770 -109025.5383 299.1497 -161078.6152 -108664.5271 300.1802 50.7107 76.4561 762574.4360 -3.9211 -3.9023 PRESSURE: 4341800 -196.478 17.6492 -50.215 17.6489 -229.936 -0.414588 -50.2152 -0.415566 -430.023 GPRESSURE: 4341800 -222.065 164.256 -106.297 -18.8285 -105.515 32.8675 -50.9354 -36.1234 -431.969 PRESSAVG: 4341800 8.11881 19.4651 -4.04723 19.4651 28.2587 -51.5208 -4.04719 -51.5208 23.4638 GPRESSAVG: 4341800 9.58439 20.2201 -5.87532 20.6321 27.4779 -51.0925 -2.3497 -52.775 22.9678 TIMING: 4341800 CPU: 13563, 0.00314077/step Wall: 13563, 0.00314077/step, 0.574237 hours remaining, 233.953125 MB of memory in use. ENERGY: 4341800 3986.3811 20618.0866 14570.9847 257.5873 -203228.0215 2693.1202 0.0000 0.0000 52055.3288 -109046.5329 299.1627 -161101.8617 -108688.9346 299.7855 -285.4790 -253.1832 763790.9571 19.9471 20.0100 PRESSURE: 4342000 -186.624 -136.883 132.773 -136.883 -203.336 192.592 132.773 192.592 -136.313 GPRESSURE: 4342000 -76.9441 -73.5782 69.7166 -164.362 -204.904 174.444 141.363 178.674 -156.437 PRESSAVG: 4342000 -8.44126 3.04186 14.6399 3.0418 12.3168 28.0496 14.6399 28.0495 10.9132 GPRESSAVG: 4342000 -8.18275 1.39744 14.4807 3.76301 12.0126 26.8759 13.6829 27.8836 10.6912 TIMING: 4342000 CPU: 13563.6, 0.00310661/step Wall: 13563.6, 0.00310661/step, 0.567819 hours remaining, 233.953125 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: 4342000 4039.3398 20472.7755 14530.4072 250.8568 -203231.1202 2631.0856 0.0000 0.0000 52018.9079 -109287.7475 298.9534 -161306.6554 -108929.9146 299.3104 -175.4242 -146.0952 763345.3249 4.9296 4.8403 PRESSURE: 4342200 -66.7425 -119.478 -14.3432 -119.479 262.675 -73.0212 -14.3437 -73.0213 294.143 GPRESSURE: 4342200 -82.8774 -113.556 53.5817 -83.7058 373.912 -114.875 -94.009 85.2605 276.746 PRESSAVG: 4342200 -29.1444 15.7686 64.2067 15.7686 11.8042 -0.473743 64.2067 -0.473865 -5.60275 GPRESSAVG: 4342200 -29.4076 15.7463 65.776 14.3261 11.6036 -0.561415 63.697 -2.19057 -4.89558 TIMING: 4342200 CPU: 13564.2, 0.0031049/step Wall: 13564.2, 0.0031049/step, 0.567334 hours remaining, 233.953125 MB of memory in use. ENERGY: 4342200 3980.2989 20658.1047 14469.8584 265.6029 -203672.7720 3223.3433 0.0000 0.0000 51879.9988 -109195.5649 298.1551 -161075.5637 -108842.4092 298.7234 163.3584 189.2602 764275.0140 -7.6476 -7.5665 PRESSURE: 4342400 311.027 -81.194 -181.746 -81.1932 -255.591 -27.4801 -181.745 -27.4809 85.6937 GPRESSURE: 4342400 337.751 -52.5667 -85.8568 -93.0743 -215.697 -108.302 -135.659 60.3415 104.818 PRESSAVG: 4342400 -20.6767 22.2068 37.5366 22.2069 14.496 52.5392 37.5365 52.5392 10.1757 GPRESSAVG: 4342400 -21.191 22.1467 38.3626 21.6122 15.2161 52.0097 34.06 56.559 9.76776 TIMING: 4342400 CPU: 13564.8, 0.0031048/step Wall: 13564.8, 0.0031048/step, 0.567144 hours remaining, 233.953125 MB of memory in use. ENERGY: 4342400 3934.3152 20613.3017 14504.3199 230.0941 -203418.1238 2812.1599 0.0000 0.0000 52116.6603 -109207.2727 299.5152 -161323.9330 -108848.5571 298.6985 47.0434 75.6239 763945.8990 1.3316 1.2643 PRESSURE: 4342600 -16.3105 -311.024 -115.792 -311.024 224.53 -58.4335 -115.792 -58.4342 -16.4009 GPRESSURE: 4342600 27.14 -182.856 -74.0997 -274.101 241.732 -73.8715 -147.713 -46.2153 -0.887671 PRESSAVG: 4342600 3.32165 -47.7581 10.8601 -47.7581 18.3903 64.5068 10.8601 64.5068 -0.54423 GPRESSAVG: 4342600 3.24326 -47.5033 9.48496 -46.0912 18.0064 63.5916 14.5221 62.8181 -0.419434 TIMING: 4342600 CPU: 13565.5, 0.00311616/step Wall: 13565.5, 0.00311616/step, 0.569046 hours remaining, 233.953125 MB of memory in use. ENERGY: 4342600 4059.2793 20553.8195 14543.3326 234.6836 -203683.1932 3057.0727 0.0000 0.0000 52005.9068 -109229.0988 298.8787 -161235.0056 -108867.0898 299.5372 63.9395 89.3280 762591.3005 7.0559 6.9434 PRESSURE: 4342800 316.634 -85.041 193.15 -85.0414 314.827 94.4241 193.151 94.4241 59.6162 GPRESSURE: 4342800 417.642 -81.732 245.331 -14.3987 300.566 107.992 118.04 145.784 58.2118 PRESSAVG: 4342800 -23.5218 33.321 3.73798 33.321 -23.605 7.65942 3.73801 7.65947 6.94662 GPRESSAVG: 4342800 -23.4907 33.2798 3.7595 34.3438 -23.3176 10.5237 2.05468 5.38425 6.97705 TIMING: 4342800 CPU: 13566.1, 0.00310869/step Wall: 13566.1, 0.00310869/step, 0.567509 hours remaining, 233.953125 MB of memory in use. ENERGY: 4342800 3950.9311 20488.3799 14498.8624 260.1837 -203563.0819 2828.1938 0.0000 0.0000 51910.8957 -109625.6353 298.3326 -161536.5310 -109264.2105 298.8700 230.3592 258.8067 762880.6758 -13.3934 -13.2771 PRESSURE: 4343000 110.084 -137.434 -85.607 -137.434 -59.3823 61.8446 -85.6075 61.8439 -443.969 GPRESSURE: 4343000 142.481 -98.4941 -67.7546 -116.377 -105.272 60.4278 -81.7461 49.8826 -345.059 PRESSAVG: 4343000 -22.614 22.2731 35.8795 22.2731 62.7928 -13.6286 35.8795 -13.6286 6.16261 GPRESSAVG: 4343000 -23.5475 22.1905 35.9425 20.6444 63.4934 -16.2112 37.1882 -10.4424 5.97004 TIMING: 4343000 CPU: 13566.7, 0.0031435/step Wall: 13566.7, 0.0031435/step, 0.57369 hours remaining, 233.953125 MB of memory in use. ENERGY: 4343000 4024.3394 20494.9746 14548.3676 273.0207 -203543.0669 2578.1632 0.0000 0.0000 51976.9350 -109647.2664 298.7122 -161624.2014 -109281.4275 298.2495 -131.0893 -102.6165 762544.1942 15.4471 15.3053 PRESSURE: 4343200 2.7843 -70.828 62.1006 -70.8282 -162.387 -97.5017 62.1013 -97.5018 -64.4174 GPRESSURE: 4343200 126.946 -76.2529 59.9558 -62.9205 -227.625 -70.5963 51.6573 -62.5749 -46.7735 PRESSAVG: 4343200 30.8799 14.429 18.7387 14.4291 -47.3857 -15.368 18.7387 -15.368 1.68001 GPRESSAVG: 4343200 33.262 13.2617 18.4456 14.1557 -49.615 -14.3333 17.647 -16.6754 0.671054 TIMING: 4343200 CPU: 13567.3, 0.00313525/step Wall: 13567.3, 0.00313525/step, 0.572009 hours remaining, 233.953125 MB of memory in use. ENERGY: 4343200 3995.7017 20549.2375 14513.0288 235.8870 -203316.8353 2600.2732 0.0000 0.0000 51876.4336 -109546.2736 298.1346 -161422.7072 -109178.5694 298.8364 -74.6734 -49.1510 762851.1713 -4.9420 -5.2273 PRESSURE: 4343400 -102.387 148.031 271.617 148.032 -304.534 7.59795 271.617 7.59659 -108.596 GPRESSURE: 4343400 -96.4328 85.9703 223.103 -9.05823 -259.412 -26.2853 318.73 35.3135 -56.3174 PRESSAVG: 4343400 20.1085 -56.6799 47.4073 -56.6798 12.3828 -44.7775 47.4074 -44.7775 -9.21363 GPRESSAVG: 4343400 18.2331 -56.0927 46.7969 -56.3896 12.9261 -46.1484 48.9167 -44.3942 -7.78274 TIMING: 4343400 CPU: 13568, 0.00310874/step Wall: 13568, 0.00310874/step, 0.567 hours remaining, 233.953125 MB of memory in use. ENERGY: 4343400 4030.4573 20499.9305 14464.6190 238.0542 -203422.7713 2569.9869 0.0000 0.0000 51868.9571 -109750.7664 298.0916 -161619.7235 -109394.3960 298.3996 -171.8390 -137.3874 763215.9702 7.7592 7.7922 PRESSURE: 4343600 107.393 -112.409 83.2242 -112.409 -36.3952 20.2249 83.224 20.2243 -117.372 GPRESSURE: 4343600 173.019 -79.7978 86.2733 -141.617 -5.73438 66.205 59.6758 -3.44921 -117.58 PRESSAVG: 4343600 -4.26541 -11.6639 -0.356262 -11.6639 -21.877 16.1766 -0.356231 16.1765 -18.5585 GPRESSAVG: 4343600 -3.56469 -11.2022 -0.472316 -12.3217 -21.708 18.0692 -1.79586 17.2765 -19.2333 TIMING: 4343600 CPU: 13568.6, 0.00312411/step Wall: 13568.6, 0.00312411/step, 0.569629 hours remaining, 233.953125 MB of memory in use. ENERGY: 4343600 3991.6792 20520.4261 14489.4858 230.5184 -203107.1801 2304.1093 0.0000 0.0000 51827.5264 -109743.4349 297.8535 -161570.9613 -109382.5492 298.0930 -15.4584 16.5682 762809.1996 -14.9003 -14.8353 PRESSURE: 4343800 -73.1678 -88.0198 -138.682 -88.0196 -339.046 -330.079 -138.682 -330.078 3.16688 GPRESSURE: 4343800 -50.9156 -63.2022 -100.422 -132.508 -290.76 -300.582 -154.374 -213.243 -7.14429 PRESSAVG: 4343800 -10.0619 -31.1649 22.8622 -31.1649 -14.7937 5.66634 22.8622 5.66627 5.29393 GPRESSAVG: 4343800 -9.68955 -31.6584 22.1823 -30.367 -14.0847 6.55949 23.2216 4.49899 4.38995 TIMING: 4343800 CPU: 13569.2, 0.003116/step Wall: 13569.2, 0.003116/step, 0.567978 hours remaining, 233.953125 MB of memory in use. ENERGY: 4343800 4097.2105 20412.8762 14475.9754 255.7446 -203392.4206 2627.2958 0.0000 0.0000 51716.2836 -109807.0347 297.2142 -161523.3182 -109450.1282 298.1309 -136.3489 -116.2734 762629.9324 -6.5205 -6.4614 PRESSURE: 4344000 105.367 46.3343 -5.26296 46.3332 407.991 162.835 -5.2632 162.835 474.426 GPRESSURE: 4344000 197.23 181.895 -38.0283 -28.3358 459.685 126.806 -141.132 78.9965 425.131 PRESSAVG: 4344000 18.0418 1.59084 12.0848 1.59084 -32.5223 -39.0496 12.0849 -39.0496 -4.27118 GPRESSAVG: 4344000 17.6118 1.89241 12.684 3.3795 -31.3352 -39.9147 12.3677 -38.3346 -5.04794 TIMING: 4344000 CPU: 13569.8, 0.00312312/step Wall: 13569.8, 0.00312312/step, 0.569102 hours remaining, 233.953125 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: 4344000 4066.9637 20508.8117 14464.3428 240.2377 -203728.2202 2925.2634 0.0000 0.0000 51854.8921 -109667.7088 298.0108 -161522.6009 -109315.3777 298.6676 329.2613 360.6822 762927.2969 -6.2506 -6.2571 PRESSURE: 4344200 110.531 -201.889 -47.4918 -201.889 -77.8963 -37.8405 -47.492 -37.8412 -71.87 GPRESSURE: 4344200 97.1444 -139.402 -71.9666 -110.576 45.0893 -25.2809 -120.778 -161.473 -94.1611 PRESSAVG: 4344200 -3.61542 -0.767518 -34.1022 -0.767501 40.0371 8.33938 -34.1022 8.33938 -26.6019 GPRESSAVG: 4344200 -3.69146 -1.99823 -33.0924 -1.36377 39.3482 7.97535 -34.9376 7.20194 -25.7606 TIMING: 4344200 CPU: 13570.5, 0.0031116/step Wall: 13570.5, 0.0031116/step, 0.566829 hours remaining, 233.953125 MB of memory in use. ENERGY: 4344200 3991.5356 20552.7163 14500.3964 226.0658 -203644.9895 2765.3958 0.0000 0.0000 51986.1622 -109622.7173 298.7652 -161608.8795 -109258.8958 298.8929 -13.0783 16.0242 762133.0088 3.2733 3.2987 LDB: ============= START OF LOAD BALANCING ============== 13582.9 LDB: ============== END OF LOAD BALANCING =============== 13582.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13582.9 LDB: ============= START OF LOAD BALANCING ============== 13583.3 LDB: Largest compute 7031 load 0.030548 is 15.7% of average load 0.195189 LDB: Average compute 0.004418 is 2.3% of average load 0.195189 LDB: TIME 13583.3 LOAD: AVG 0.195189 MAX 0.214319 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.102 MB LDB: TIME 13583.3 LOAD: AVG 0.195189 MAX 0.214319 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.102 MB LDB: TIME 13583.3 LOAD: AVG 0.195189 MAX 0.214319 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.102 MB LDB: ============== END OF LOAD BALANCING =============== 13583.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13583.3 PRESSURE: 4344400 99.0793 78.1738 96.4166 78.1731 77.0552 96.0572 96.4162 96.0569 32.9468 GPRESSURE: 4344400 121.118 27.459 84.94 52.25 138.764 130.97 119.639 62.1975 42.4197 PRESSAVG: 4344400 -7.3141 -15.5706 16.4185 -15.5707 4.82823 -15.8566 16.4185 -15.8565 4.16203 GPRESSAVG: 4344400 -8.08462 -15.5217 15.5811 -16.7415 6.11273 -17.2987 17.4504 -14.9411 3.29105 TIMING: 4344400 CPU: 13571.1, 0.0031734/step Wall: 13571.1, 0.0031734/step, 0.577912 hours remaining, 234.578125 MB of memory in use. ENERGY: 4344400 4007.2252 20482.6708 14519.3562 270.2195 -203317.1429 2585.5669 0.0000 0.0000 51917.2923 -109534.8122 298.3694 -161452.1045 -109179.2039 298.7360 69.6938 100.7669 762906.7570 0.5587 0.4397 PRESSURE: 4344600 134.233 -2.56738 136.082 -2.56596 105.761 -164.508 136.082 -164.507 333.108 GPRESSURE: 4344600 173.655 -60.3 100.791 -63.3049 160.136 -95.3037 166.419 -143.647 340.491 PRESSAVG: 4344600 16.6556 -15.9353 -11.7563 -15.9352 0.309023 -7.51358 -11.7563 -7.51351 -9.44794 GPRESSAVG: 4344600 17.0109 -14.8004 -14.0591 -16.6739 -1.2932 -5.79318 -11.7096 -7.06573 -7.86863 TIMING: 4344600 CPU: 13571.7, 0.00309789/step Wall: 13571.7, 0.00309789/step, 0.563989 hours remaining, 234.648438 MB of memory in use. ENERGY: 4344600 4043.0609 20426.1217 14512.9685 249.2966 -203161.5686 2644.8537 0.0000 0.0000 51860.1462 -109425.1210 298.0410 -161285.2672 -109060.0573 298.6744 191.0339 224.7607 763009.6599 2.5056 2.6164 PRESSURE: 4344800 -265.115 -9.2161 -119.753 -9.2163 -173.389 67.3229 -119.753 67.3227 216.006 GPRESSURE: 4344800 -172.312 36.3234 -69.0387 51.2298 -250.547 90.7073 -56.6177 161.91 271.764 PRESSAVG: 4344800 -22.0033 25.1025 3.08963 25.1025 13.712 -27.2843 3.08967 -27.2844 -7.11112 GPRESSAVG: 4344800 -21.0259 24.5481 4.41862 28.0386 13.3633 -27.2557 3.59223 -29.0509 -7.6341 TIMING: 4344800 CPU: 13572.3, 0.00309095/step Wall: 13572.3, 0.00309095/step, 0.562553 hours remaining, 234.648438 MB of memory in use. ENERGY: 4344800 3999.8432 20504.5003 14518.8292 256.7873 -203456.2235 2823.4813 0.0000 0.0000 51990.6051 -109362.1771 298.7907 -161352.7822 -108998.7905 298.4655 -74.1661 -50.3652 764842.7596 -5.1341 -5.0989 PRESSURE: 4345000 195.545 -14.2473 71.1502 -14.2478 41.6365 77.5215 71.1508 77.5221 -532.611 GPRESSURE: 4345000 213.599 19.4931 46.3307 -41.1964 125.574 61.4023 123.173 100.504 -543.407 PRESSAVG: 4345000 3.11267 -32.2523 41.5239 -32.2523 30.4772 37.9099 41.5238 37.91 -18.0261 GPRESSAVG: 4345000 2.55916 -30.8031 42.4256 -32.7747 30.5129 36.7074 41.3681 40.0618 -17.4103 TIMING: 4345000 CPU: 13573, 0.0031088/step Wall: 13573, 0.00310881/step, 0.56563 hours remaining, 234.648438 MB of memory in use. ENERGY: 4345000 3943.5488 20343.6555 14489.7616 253.9617 -203069.5479 2562.8011 0.0000 0.0000 51928.4534 -109547.3658 298.4335 -161475.8192 -109186.6214 299.0318 -98.4767 -68.0776 761722.0365 5.1879 5.2206 PRESSURE: 4345200 -155.057 -130.454 89.6838 -130.454 -409.188 -120.108 89.6833 -120.109 159.272 GPRESSURE: 4345200 -8.76669 -164.802 6.49969 -118.473 -405.412 -44.9594 200.377 -69.5323 127.296 PRESSAVG: 4345200 36.2429 47.7433 24.8194 47.7433 22.4796 1.80666 24.8194 1.80662 20.0236 GPRESSAVG: 4345200 36.9835 46.6439 24.4689 48.3666 22.8176 3.48068 24.0683 -0.165694 19.4122 TIMING: 4345200 CPU: 13573.6, 0.00310814/step Wall: 13573.6, 0.00310814/step, 0.565336 hours remaining, 234.648438 MB of memory in use. ENERGY: 4345200 3953.4153 20362.6660 14523.2099 244.2207 -202783.7885 2273.7494 0.0000 0.0000 51928.5888 -109497.9384 298.4343 -161426.5272 -109141.1388 298.2885 -134.9910 -95.6278 762774.4384 26.2487 26.4044 PRESSURE: 4345400 67.8978 116.847 -91.6602 116.847 -121.615 -116.027 -91.6596 -116.027 82.1827 GPRESSURE: 4345400 69.2038 140.578 -135.158 56.9636 5.21983 -91.1714 -110.737 -34.7393 32.1837 PRESSAVG: 4345400 -39.7043 2.75558 -5.88536 2.75557 12.697 -21.2339 -5.88536 -21.2339 -5.35254 GPRESSAVG: 4345400 -39.2015 3.26882 -3.85506 2.49739 13.6234 -23.2121 -5.58714 -19.8566 -6.63683 TIMING: 4345400 CPU: 13574.2, 0.00310231/step Wall: 13574.2, 0.00310231/step, 0.564103 hours remaining, 234.648438 MB of memory in use. ENERGY: 4345400 3962.1794 20376.3748 14525.5803 248.3969 -203444.1496 2807.1270 0.0000 0.0000 52209.4056 -109315.0856 300.0482 -161524.4912 -108957.6947 298.2685 9.4886 35.5358 762531.6934 -10.7866 -10.7383 PRESSURE: 4345600 214.166 135.34 -286.619 135.34 145.777 -66.1876 -286.618 -66.1885 233.226 GPRESSURE: 4345600 174.387 25.0819 -221.932 127.538 248.698 -28.31 -245.941 -126.911 260.717 PRESSAVG: 4345600 -5.70697 -6.17963 6.34266 -6.17965 82.7973 -29.5779 6.34264 -29.5778 -33.5326 GPRESSAVG: 4345600 -7.68691 -3.96528 6.46128 -7.40294 82.2687 -26.9216 6.69835 -31.5006 -30.8109 TIMING: 4345600 CPU: 13574.8, 0.00310691/step Wall: 13574.8, 0.00310691/step, 0.564767 hours remaining, 234.648438 MB of memory in use. ENERGY: 4345600 3881.1363 20400.5570 14540.9752 249.2744 -202750.8963 2391.8838 0.0000 0.0000 51989.1581 -109297.9115 298.7824 -161287.0696 -108935.0943 298.6925 197.7232 227.9338 762494.6446 14.5192 14.5903 PRESSURE: 4345800 -92.2699 -126.408 290.819 -126.409 283.747 -229.633 290.818 -229.632 65.7045 GPRESSURE: 4345800 -40.067 -72.034 241.341 -87.1541 322.655 -162.466 303.909 -250.016 81.1908 PRESSAVG: 4345800 5.56375 -19.7928 12.4332 -19.7928 4.16892 -9.30207 12.4332 -9.30194 26.8415 GPRESSAVG: 4345800 7.55477 -21.0194 11.1806 -18.5209 2.95532 -11.1807 10.9379 -7.81997 26.3312 TIMING: 4345800 CPU: 13575.4, 0.00308885/step Wall: 13575.4, 0.00308885/step, 0.561313 hours remaining, 234.648438 MB of memory in use. ENERGY: 4345800 3951.5910 20559.7662 14500.9772 231.1099 -203129.0260 2870.7360 0.0000 0.0000 51920.4305 -109094.4152 298.3874 -161014.8458 -108739.8603 299.1408 85.7270 121.2594 763854.6273 12.1914 12.2804 PRESSURE: 4346000 62.7197 -28.8587 143.833 -28.859 220.562 64.8227 143.833 64.8224 102.062 GPRESSURE: 4346000 77.4957 1.36455 176.283 -46.3945 281.884 73.2204 160.78 55.5555 116.789 PRESSAVG: 4346000 -54.1853 27.9585 28.1893 27.9584 36.0918 -58.5558 28.1893 -58.5559 37.4279 GPRESSAVG: 4346000 -54.9368 26.7964 29.4962 28.7391 37.2932 -58.6812 28.1212 -58.2218 37.8736 TIMING: 4346000 CPU: 13576.1, 0.00309351/step Wall: 13576.1, 0.00309351/step, 0.561988 hours remaining, 234.792969 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: 4346000 3934.2599 20455.3332 14515.1947 240.9145 -202575.3956 2316.2755 0.0000 0.0000 51970.8207 -109142.5971 298.6770 -161113.4178 -108783.7613 299.2475 128.4477 158.7229 763390.3920 6.4448 6.7433 PRESSURE: 4346200 116.011 -173.319 -41.6652 -173.319 27.1722 -169.772 -41.6649 -169.772 -379.958 GPRESSURE: 4346200 160.277 -105.964 -25.2461 -149.405 27.0305 -134.311 -29.244 -116.223 -334.387 PRESSAVG: 4346200 5.65602 -9.29045 4.87524 -9.29044 54.1317 -5.38049 4.87524 -5.38048 -4.56271 GPRESSAVG: 4346200 6.71636 -7.64426 3.02112 -10.9917 54.0367 -5.04556 5.63839 -4.32756 -5.25703 TIMING: 4346200 CPU: 13576.7, 0.00307307/step Wall: 13576.7, 0.00307307/step, 0.558104 hours remaining, 234.792969 MB of memory in use. ENERGY: 4346200 3947.1364 20600.7402 14513.8902 269.1995 -203438.1852 2921.3195 0.0000 0.0000 52185.0426 -109000.8568 299.9082 -161185.8993 -108648.5442 299.0805 -78.9248 -49.0266 762610.2915 18.4083 18.4987 PRESSURE: 4346400 93.5111 28.9145 -259.185 28.9145 59.6947 -43.5532 -259.185 -43.5531 171.399 GPRESSURE: 4346400 55.5222 25.2428 -237.657 39.4495 102.008 -26.0151 -190.67 -30.3073 243.893 PRESSAVG: 4346400 -17.1607 -6.77041 33.4176 -6.77038 19.425 -19.8057 33.4177 -19.8058 20.8675 GPRESSAVG: 4346400 -17.8832 -7.59765 33.7018 -5.73622 19.5335 -19.2134 33.7445 -20.841 21.8334 TIMING: 4346400 CPU: 13577.3, 0.00308256/step Wall: 13577.3, 0.00308256/step, 0.559656 hours remaining, 234.792969 MB of memory in use. ENERGY: 4346400 4066.2085 20451.6153 14523.3613 243.1703 -203203.4491 2719.1817 0.0000 0.0000 52144.2755 -109055.6365 299.6739 -161199.9120 -108695.1104 299.7255 108.2017 133.8076 764067.0738 7.7106 7.8279 PRESSURE: 4346600 -36.563 162.901 -92.8605 162.9 248.618 119.275 -92.8605 119.274 -27.3326 GPRESSURE: 4346600 73.0908 187.555 -53.3776 91.8533 275.145 100.354 -172.573 122.032 -67.7408 PRESSAVG: 4346600 -44.9341 12.3454 -4.84516 12.3454 17.7563 -71.4368 -4.84514 -71.4368 8.29464 GPRESSAVG: 4346600 -44.3358 10.3225 -5.18046 12.6621 18.3301 -71.2694 -5.70678 -73.314 8.00163 TIMING: 4346600 CPU: 13577.9, 0.00308028/step Wall: 13577.9, 0.00308028/step, 0.559072 hours remaining, 234.792969 MB of memory in use. ENERGY: 4346600 4000.5143 20347.1849 14441.4674 255.6000 -203197.1820 2785.5385 0.0000 0.0000 52150.7536 -109216.1233 299.7111 -161366.8770 -108853.9834 299.1827 61.5740 93.4985 763940.7601 -6.2944 -6.0013 PRESSURE: 4346800 -263.194 260.049 211.071 260.049 -178.117 -31.2529 211.072 -31.2528 -367.602 GPRESSURE: 4346800 -283.347 158.864 164.935 346.399 -128.239 -22.2805 218.087 -185.276 -284.723 PRESSAVG: 4346800 -14.0993 16.2116 -14.7277 16.2117 30.1199 -40.863 -14.7276 -40.8631 -8.60482 GPRESSAVG: 4346800 -14.647 17.6512 -15.1552 14.9251 30.2357 -41.8193 -13.2178 -38.2625 -7.68318 TIMING: 4346800 CPU: 13578.5, 0.00307802/step Wall: 13578.5, 0.00307802/step, 0.558489 hours remaining, 234.792969 MB of memory in use. ENERGY: 4346800 4042.5155 20482.7896 14449.2124 279.0438 -202741.1848 2259.6205 0.0000 0.0000 52013.5794 -109214.4236 298.9228 -161228.0030 -108843.7070 298.6953 -269.6374 -232.1032 762965.5212 2.4719 2.6352 PRESSURE: 4347000 29.0262 -75.7253 -66.7581 -75.7252 17.2649 -134.313 -66.7581 -134.315 229.052 GPRESSURE: 4347000 85.9285 75.4728 32.9858 -60.658 2.83444 -148.955 -4.08627 -155.579 285.894 PRESSAVG: 4347000 -70.7397 38.1623 -5.35186 38.1623 51.0232 2.38525 -5.35178 2.38527 8.56968 GPRESSAVG: 4347000 -71.318 37.1127 -3.6623 39.9621 51.4947 2.72453 -6.69351 1.02442 7.7907 TIMING: 4347000 CPU: 13579.1, 0.00308884/step Wall: 13579.1, 0.00308884/step, 0.560282 hours remaining, 234.792969 MB of memory in use. ENERGY: 4347000 4008.7124 20409.6824 14467.5616 240.2832 -203314.3482 2790.9228 0.0000 0.0000 52178.7623 -109218.4234 299.8721 -161397.1858 -108846.4264 298.7606 91.7812 124.8858 763444.5877 -3.7156 -4.0109 PRESSURE: 4347200 -216.104 -88.7659 -8.53301 -88.7659 -4.76823 131.789 -8.53326 131.788 153.394 GPRESSURE: 4347200 -154.119 -179.847 6.01589 -27.1618 15.4351 110.139 -0.959929 47.355 158.828 PRESSAVG: 4347200 -69.9728 3.38082 14.918 3.38089 88.4308 -37.1975 14.918 -37.1974 -6.53935 GPRESSAVG: 4347200 -68.3068 3.24634 14.8153 2.08832 88.1902 -36.0269 16.1992 -37.2972 -8.15272 TIMING: 4347200 CPU: 13579.8, 0.003101/step Wall: 13579.8, 0.003101/step, 0.562315 hours remaining, 234.792969 MB of memory in use. ENERGY: 4347200 3918.9784 20628.0076 14510.6305 265.3020 -203160.1275 2820.5940 0.0000 0.0000 51828.7616 -109187.8534 297.8606 -161016.6150 -108836.0536 299.1906 -22.4928 6.7147 762375.5437 3.9729 3.9102 PRESSURE: 4347400 328.497 113.445 5.45238 113.445 -47.9861 -13.4754 5.45246 -13.4753 118.866 GPRESSURE: 4347400 283.192 89.4862 -73.7829 131.678 27.8501 -25.1591 -36.4352 -115.764 175.547 PRESSAVG: 4347400 -20.9476 -28.0496 -24.3309 -28.0496 60.5478 20.0783 -24.3309 20.0783 3.31735 GPRESSAVG: 4347400 -22.2941 -27.2888 -24.9098 -28.0802 59.9936 20.6174 -24.8104 17.9312 5.12497 TIMING: 4347400 CPU: 13580.4, 0.00308966/step Wall: 13580.4, 0.00308966/step, 0.560087 hours remaining, 234.792969 MB of memory in use. ENERGY: 4347400 3992.1803 20418.9564 14484.8509 233.2400 -203371.2092 2760.3231 0.0000 0.0000 52341.6066 -109140.0519 300.8079 -161481.6586 -108770.4552 299.0306 133.1254 162.1965 761310.0101 14.3059 14.2748 PRESSURE: 4347600 -10.6508 -125.914 59.4487 -125.914 314.042 -72.4312 59.4484 -72.4305 450.087 GPRESSURE: 4347600 -23.7966 -143.577 84.1681 -179.531 439.847 -87.7508 105.79 -142.19 417.923 PRESSAVG: 4347600 -16.9718 -18.5805 28.2971 -18.5806 50.5546 16.4424 28.2971 16.4424 -0.396296 GPRESSAVG: 4347600 -17.7038 -20.062 29.4017 -19.0207 51.6055 15.8741 28.6479 17.6567 -0.4926 TIMING: 4347600 CPU: 13581, 0.00309027/step Wall: 13581, 0.00309027/step, 0.560026 hours remaining, 234.792969 MB of memory in use. ENERGY: 4347600 3916.7735 20504.8979 14509.0013 245.1983 -202877.7191 2458.5856 0.0000 0.0000 52014.9559 -109228.3066 298.9307 -161243.2625 -108859.9704 299.1945 251.1593 277.9913 762373.0628 11.0622 11.1364 PRESSURE: 4347800 -141.222 -67.9764 -140.799 -67.976 -167.508 -117.164 -140.798 -117.164 54.0214 GPRESSURE: 4347800 -48.9381 -99.4761 -41.9125 9.98955 -134.742 -42.744 -179.513 -2.69797 34.0022 PRESSAVG: 4347800 20.8282 30.8361 -12.5645 30.8361 -15.4993 -64.6764 -12.5645 -64.6765 -2.22823 GPRESSAVG: 4347800 22.396 30.4131 -13.7623 32.7924 -16.9663 -65.3359 -13.7918 -63.6388 -2.19615 TIMING: 4347800 CPU: 13581.6, 0.00308044/step Wall: 13581.6, 0.00308044/step, 0.558073 hours remaining, 234.792969 MB of memory in use. ENERGY: 4347800 3951.7554 20342.5075 14470.6744 237.6572 -202896.5986 2530.1270 0.0000 0.0000 52075.8351 -109288.0420 299.2805 -161363.8771 -108914.6388 298.9658 -84.9031 -49.8927 762904.7677 1.0335 1.0779 PRESSURE: 4348000 -9.64068 -15.0953 138.561 -15.0958 -72.963 208.222 138.562 208.223 153.95 GPRESSURE: 4348000 34.2297 -56.1589 143.967 -91.6555 -111.311 164.424 55.042 223.417 244.576 PRESSAVG: 4348000 -35.202 -6.59611 1.96648 -6.59612 16.3681 12.6948 1.96651 12.6949 -10.138 GPRESSAVG: 4348000 -34.98 -5.32112 2.04442 -7.29219 15.7241 13.3694 3.90582 10.6169 -9.67817 TIMING: 4348000 CPU: 13582.2, 0.00308738/step Wall: 13582.2, 0.00308738/step, 0.559159 hours remaining, 234.792969 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: 4348000 3942.4287 20503.6967 14554.4879 246.6687 -202603.0434 2339.4028 0.0000 0.0000 51909.8928 -109106.4659 298.3269 -161016.3587 -108741.6807 298.8240 23.7820 55.8315 763199.0959 -9.6573 -9.6447 PRESSURE: 4348200 227.262 -57.2859 -112.108 -57.2861 194.359 194.433 -112.109 194.434 -104.519 GPRESSURE: 4348200 195.196 -60.9491 -124.341 -11.2748 216.462 204.031 -115.176 128.397 -11.631 PRESSAVG: 4348200 -54.2682 15.7933 11.3966 15.7933 43.814 46.9523 11.3966 46.9523 39.4495 GPRESSAVG: 4348200 -55.4752 17.5622 12.118 15.5439 45.3988 47.0634 11.2284 48.3182 39.236 TIMING: 4348200 CPU: 13582.8, 0.00308861/step Wall: 13582.8, 0.00308861/step, 0.55921 hours remaining, 234.792969 MB of memory in use. ENERGY: 4348200 3989.8518 20488.7042 14561.3187 251.4547 -203255.0930 2741.6427 0.0000 0.0000 52035.2168 -109186.9042 299.0471 -161222.1210 -108822.3777 299.1356 105.7006 133.3424 762415.6058 9.6651 9.7198 LDB: ============= START OF LOAD BALANCING ============== 13595.3 LDB: ============== END OF LOAD BALANCING =============== 13595.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13595.3 LDB: ============= START OF LOAD BALANCING ============== 13595.6 LDB: Largest compute 7031 load 0.030519 is 15.6% of average load 0.195244 LDB: Average compute 0.004399 is 2.3% of average load 0.195244 LDB: TIME 13595.6 LOAD: AVG 0.195244 MAX 0.220094 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.52 MB LDB: TIME 13595.6 LOAD: AVG 0.195244 MAX 0.220094 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.52 MB LDB: TIME 13595.6 LOAD: AVG 0.195244 MAX 0.213828 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.52 MB LDB: ============== END OF LOAD BALANCING =============== 13595.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13595.6 PRESSURE: 4348400 151.413 112.727 149.957 112.727 -382.132 -338.715 149.958 -338.715 -115.294 GPRESSURE: 4348400 76.1658 86.9747 80.25 -43.4028 -264.326 -298.415 72.3851 -392.184 -87.6119 PRESSAVG: 4348400 -31.0745 60.913 -1.25226 60.913 45.3479 -7.1954 -1.25217 -7.19537 6.86068 GPRESSAVG: 4348400 -31.8803 59.2946 -1.36704 60.5054 45.7067 -6.16327 -2.51229 -6.86332 7.07983 TIMING: 4348400 CPU: 13583.5, 0.00317414/step Wall: 13583.5, 0.00317414/step, 0.57452 hours remaining, 235.289062 MB of memory in use. ENERGY: 4348400 4072.8537 20552.7053 14578.9236 239.8928 -203365.7609 2757.1413 0.0000 0.0000 51993.9313 -109170.3129 298.8098 -161164.2442 -108806.8467 299.5461 -115.3378 -91.9241 762467.4007 7.0447 6.9688 PRESSURE: 4348600 -279.856 -66.9369 -46.3651 -66.938 -157.146 126.382 -46.3647 126.38 -51.143 GPRESSURE: 4348600 -133.097 -71.3572 -7.75238 42.467 -139.071 165.512 -195.885 75.9581 -121.031 PRESSAVG: 4348600 16.7807 -15.8661 -0.708914 -15.8661 4.45633 6.73704 -0.708823 6.73701 3.44398 GPRESSAVG: 4348600 17.3512 -16.7006 -0.928727 -16.1583 4.43472 5.82142 -0.157866 5.95158 2.81725 TIMING: 4348600 CPU: 13584.1, 0.00307227/step Wall: 13584.1, 0.00307227/step, 0.555911 hours remaining, 235.562500 MB of memory in use. ENERGY: 4348600 3995.4236 20567.0752 14561.1597 263.2693 -202899.5924 2400.6234 0.0000 0.0000 52171.9547 -108940.0865 299.8329 -161112.0412 -108579.0748 300.0039 -162.7152 -131.0662 761689.5100 8.2270 8.2010 PRESSURE: 4348800 -209.592 -178.831 139.352 -178.83 162.89 -155.394 139.352 -155.394 29.4878 GPRESSURE: 4348800 -162.321 -85.8913 182.125 -27.913 173.546 -140.998 58.6318 -141.688 53.5904 PRESSAVG: 4348800 -0.567839 -34.5502 13.2528 -34.5503 8.06589 -23.6865 13.2528 -23.6865 -9.01129 GPRESSAVG: 4348800 -0.0751747 -32.9091 13.8226 -32.9803 7.04194 -22.8548 14.4566 -23.1627 -8.55373 TIMING: 4348800 CPU: 13584.7, 0.00308605/step Wall: 13584.7, 0.00308605/step, 0.558232 hours remaining, 235.562500 MB of memory in use. ENERGY: 4348800 3937.5865 20674.1206 14514.8840 254.7534 -203485.8658 2676.5321 0.0000 0.0000 52173.7633 -109254.2260 299.8433 -161427.9893 -108899.2145 300.4244 -5.7380 21.6052 761344.3410 -0.5044 -0.5290 PRESSURE: 4349000 251.034 -29.9697 -33.71 -29.9695 283.162 122.447 -33.7099 122.447 -224.83 GPRESSURE: 4349000 236.857 17.7132 -101.637 95.1151 275.913 110.03 -21.5768 247.872 -125.368 PRESSAVG: 4349000 -36.4022 -42.7149 -54.8332 -42.7148 32.7448 8.16606 -54.8333 8.16608 -10.364 GPRESSAVG: 4349000 -35.5805 -42.9316 -55.7659 -41.549 31.8802 7.8104 -55.827 9.20362 -11.2199 TIMING: 4349000 CPU: 13585.3, 0.003085/step Wall: 13585.3, 0.003085/step, 0.557871 hours remaining, 235.562500 MB of memory in use. ENERGY: 4349000 4040.6556 20539.0614 14569.3533 248.4046 -203691.1446 2805.7469 0.0000 0.0000 52022.9675 -109464.9554 298.9767 -161487.9229 -109103.4562 299.4079 103.1218 129.1337 762222.5830 -4.6738 -4.9734 PRESSURE: 4349200 78.03 59.6592 -46.2189 59.6589 71.6639 -302.948 -46.2189 -302.948 -86.3787 GPRESSURE: 4349200 4.43028 34.7773 -189.27 32.273 164.648 -293.386 -70.6572 -305.545 -36.2185 PRESSAVG: 4349200 9.2138 7.08555 -51.3179 7.08561 -1.80513 -22.8078 -51.3179 -22.8078 6.33537 GPRESSAVG: 4349200 9.0913 7.0809 -50.9708 5.57789 -1.08409 -23.843 -50.1472 -22.1445 6.24254 TIMING: 4349200 CPU: 13585.9, 0.00308806/step Wall: 13585.9, 0.00308806/step, 0.558253 hours remaining, 235.562500 MB of memory in use. ENERGY: 4349200 3962.7310 20575.6590 14533.2496 238.8580 -203674.7700 2470.2188 0.0000 0.0000 52287.5364 -109606.5174 300.4972 -161894.0537 -109234.8693 299.0482 21.1051 44.2866 761588.5082 4.5813 4.7499 PRESSURE: 4349400 -70.6908 -145.662 -126.667 -145.662 -266.609 86.9634 -126.668 86.9624 351.12 GPRESSURE: 4349400 8.88308 -155.752 -82.2843 -56.146 -266.83 8.70876 -130.576 54.7603 357.556 PRESSAVG: 4349400 -14.7905 12.5336 -21.7281 12.5336 13.6571 3.77174 -21.7282 3.77177 -11.8746 GPRESSAVG: 4349400 -15.631 12.5993 -21.4537 14.3327 14.0063 3.36234 -21.3614 1.0166 -11.4575 TIMING: 4349400 CPU: 13586.6, 0.00309107/step Wall: 13586.6, 0.00309107/step, 0.558625 hours remaining, 235.562500 MB of memory in use. ENERGY: 4349400 4102.8654 20582.4139 14547.1772 248.8756 -203930.6538 2894.9154 0.0000 0.0000 51934.4477 -109619.9586 298.4680 -161554.4063 -109265.5699 298.9163 4.6065 33.2030 762022.1465 -4.3360 -4.3607 PRESSURE: 4349600 279.053 128.209 -24.6734 128.209 79.7254 194.758 -24.6733 194.758 404.951 GPRESSURE: 4349600 356.965 95.774 -60.9325 35.9836 102.343 169.593 24.0366 65.5614 406.185 PRESSAVG: 4349600 -87.785 -21.5159 -11.9933 -21.5159 77.9527 -8.27839 -11.9933 -8.27837 -6.26545 GPRESSAVG: 4349600 -86.3696 -21.0466 -11.181 -24.8066 77.025 -6.99372 -12.6822 -8.18073 -7.06587 TIMING: 4349600 CPU: 13587.2, 0.00309385/step Wall: 13587.2, 0.00309385/step, 0.558955 hours remaining, 235.562500 MB of memory in use. ENERGY: 4349600 3989.2744 20529.2401 14599.9872 265.0374 -203983.7267 2973.0817 0.0000 0.0000 51770.4208 -109856.6851 297.5253 -161627.1059 -109499.4794 298.5973 254.5767 288.4972 762418.4472 -5.3659 -5.4702 PRESSURE: 4349800 600.811 -71.4602 -46.6938 -71.461 447.819 -67.9458 -46.694 -67.9454 -154.796 GPRESSURE: 4349800 598.524 -146.074 14.7516 21.1067 455.402 -15.9156 25.395 -52.2299 -71.3087 PRESSAVG: 4349800 -28.1577 -36.565 -5.50762 -36.565 60.8108 19.5488 -5.50766 19.5488 -1.45725 GPRESSAVG: 4349800 -28.7298 -36.8645 -6.19033 -35.0905 60.9129 18.5419 -5.98915 23.4119 -0.128827 TIMING: 4349800 CPU: 13587.8, 0.00309051/step Wall: 13587.8, 0.00309051/step, 0.55818 hours remaining, 235.562500 MB of memory in use. ENERGY: 4349800 3993.1266 20488.0424 14520.9999 243.4087 -204036.0272 2908.2228 0.0000 0.0000 52130.3634 -109751.8635 299.5939 -161882.2269 -109391.4516 298.6443 297.9445 327.5390 761372.1958 10.3986 10.6848 PRESSURE: 4350000 532.064 37.338 -199.143 37.3385 346.535 318.959 -199.143 318.959 218.427 GPRESSURE: 4350000 533.549 88.8399 -212.178 38.6895 391.447 361.895 -125.371 217.13 259.336 PRESSAVG: 4350000 7.40659 -28.3147 -10.681 -28.3148 18.0056 1.12615 -10.681 1.12613 -5.00615 GPRESSAVG: 4350000 5.39653 -29.4216 -11.7254 -27.1827 19.4716 3.43791 -8.25138 -2.21312 -4.39952 TIMING: 4350000 CPU: 13588.4, 0.00309385/step Wall: 13588.4, 0.00309385/step, 0.558612 hours remaining, 235.562500 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: 4350000 3938.8720 20767.7813 14484.1540 255.5652 -204068.4795 2888.5588 0.0000 0.0000 52111.2493 -109622.2989 299.4841 -161733.5482 -109252.5424 298.7800 365.6755 394.7774 760078.2547 6.8020 6.8229 PRESSURE: 4350200 -235.476 -148.413 -218.933 -148.414 -337.86 84.7016 -218.934 84.7019 -588.531 GPRESSURE: 4350200 -136.46 -122.546 -264.348 -82.1335 -377.013 80.1413 -151.958 -115.283 -553.434 PRESSAVG: 4350200 -31.2456 38.1379 -11.9586 38.1378 48.8217 31.2885 -11.9585 31.2885 -1.63626 GPRESSAVG: 4350200 -30.1305 40.3633 -9.88803 36.9532 48.8945 30.2865 -16.3251 33.1074 -3.38721 TIMING: 4350200 CPU: 13589, 0.00308464/step Wall: 13589, 0.00308464/step, 0.556778 hours remaining, 235.562500 MB of memory in use. ENERGY: 4350200 4007.4361 20465.5467 14455.1368 225.0563 -203325.3980 2551.0592 0.0000 0.0000 51940.1961 -109680.9667 298.5010 -161621.1629 -109317.0032 299.1280 -387.2891 -355.6355 762733.0540 5.3133 5.1256 PRESSURE: 4350400 -38.0955 5.48335 -51.6006 5.48346 -90.7794 -110.998 -51.6 -110.998 68.1579 GPRESSURE: 4350400 91.3853 -8.83014 -100.352 19.3335 -180.834 -71.4142 18.8626 -10.319 110.773 PRESSAVG: 4350400 24.027 -36.5665 -25.7829 -36.5665 -5.5334 -25.6645 -25.7829 -25.6646 -6.11204 GPRESSAVG: 4350400 24.7548 -38.4281 -26.5109 -37.2036 -6.3881 -27.0804 -24.2833 -26.1351 -6.11993 TIMING: 4350400 CPU: 13589.7, 0.00308687/step Wall: 13589.7, 0.00308687/step, 0.557008 hours remaining, 235.562500 MB of memory in use. ENERGY: 4350400 3942.2629 20492.5162 14453.2299 269.7051 -203566.5491 2658.6389 0.0000 0.0000 52091.1971 -109658.9991 299.3688 -161750.1961 -109294.4867 298.2053 -20.2390 7.1084 761960.9813 4.1272 4.0823 PRESSURE: 4350600 -39.6811 351.793 -64.4264 351.793 -127.886 -126.412 -64.4266 -126.412 -153.079 GPRESSURE: 4350600 -56.01 224.62 -65.4041 350.801 -44.9787 -168.742 1.28554 -66.1427 -143.722 PRESSAVG: 4350600 43.8975 -7.95716 10.6819 -7.95717 -31.5236 27.8842 10.6819 27.8842 12.2044 GPRESSAVG: 4350600 42.8572 -6.52887 10.6307 -8.75171 -31.4792 29.3662 10.6341 27.8465 13.4364 TIMING: 4350600 CPU: 13590.3, 0.0030827/step Wall: 13590.3, 0.0030827/step, 0.556085 hours remaining, 235.562500 MB of memory in use. ENERGY: 4350600 4000.5448 20542.6694 14554.5376 236.2141 -203093.3138 2581.3205 0.0000 0.0000 51629.4944 -109548.5331 296.7154 -161178.0275 -109188.7704 298.7456 -106.8822 -81.5703 763004.5612 8.1928 8.2714 PRESSURE: 4350800 215.995 358.841 62.8881 358.841 -296.854 -23.607 62.8875 -23.6077 -79.5778 GPRESSURE: 4350800 156.283 239.755 39.3022 372.781 -245.969 -59.2242 47.2097 41.6224 13.4167 PRESSAVG: 4350800 49.1731 26.5938 6.84205 26.5938 -9.43436 7.12948 6.84206 7.12947 19.0785 GPRESSAVG: 4350800 50.0658 26.635 5.63859 27.2293 -9.62871 6.63888 8.82831 8.43125 18.3037 TIMING: 4350800 CPU: 13590.9, 0.00307538/step Wall: 13590.9, 0.00307538/step, 0.554593 hours remaining, 235.562500 MB of memory in use. ENERGY: 4350800 3930.2118 20531.2528 14465.1261 243.4720 -203264.2162 2466.9318 0.0000 0.0000 51924.7707 -109702.4510 298.4124 -161627.2217 -109346.0444 298.9141 -53.4788 -25.4232 763029.6983 19.6057 19.5803 PRESSURE: 4351000 16.3206 33.2023 -87.6911 33.2025 39.195 123.963 -87.6912 123.963 -61.6193 GPRESSURE: 4351000 -45.9393 36.1199 -90.3872 -51.2816 161.051 150.063 -74.1944 109.493 -34.1448 PRESSAVG: 4351000 40.8318 -22.9547 -29.7883 -22.9547 -35.0336 -11.0171 -29.7882 -11.0171 -20.4866 GPRESSAVG: 4351000 39.8569 -23.2899 -29.0796 -23.1505 -34.2348 -11.1759 -29.1744 -11.8043 -19.784 TIMING: 4351000 CPU: 13591.5, 0.00309501/step Wall: 13591.5, 0.00309501/step, 0.557961 hours remaining, 235.562500 MB of memory in use. ENERGY: 4351000 3960.2986 20568.4937 14480.5882 242.1583 -203502.6149 2820.4337 0.0000 0.0000 52022.1665 -109408.4759 298.9721 -161430.6424 -109051.3244 298.4098 -2.0346 26.9891 763532.6396 -4.8961 -4.7206 PRESSURE: 4351200 226.25 61.45 -105.077 61.4497 185.35 238.644 -105.078 238.645 514.923 GPRESSURE: 4351200 395.223 43.0965 -81.2799 -46.1634 141.558 242.698 -148.671 218.651 490.595 PRESSAVG: 4351200 -10.2194 -41.0891 10.0576 -41.0891 -2.63023 59.2784 10.0575 59.2784 2.51319 GPRESSAVG: 4351200 -9.38435 -42.0477 11.9917 -39.8158 -3.53017 59.3748 9.35775 58.9195 2.17696 TIMING: 4351200 CPU: 13592.1, 0.00309604/step Wall: 13592.1, 0.00309604/step, 0.557975 hours remaining, 235.562500 MB of memory in use. ENERGY: 4351200 3969.2105 20606.4651 14515.1983 255.2083 -204049.1432 3154.3524 0.0000 0.0000 51883.5657 -109665.1429 298.1756 -161548.7086 -109307.9110 298.4062 308.8409 342.4585 761670.7138 -3.4455 -3.5792 PRESSURE: 4351400 -57.558 130.369 -73.3175 130.369 -70.443 126.43 -73.3179 126.431 119.455 GPRESSURE: 4351400 19.7369 166.018 -187.507 131.6 23.4424 201.829 -43.7784 44.7909 47.643 PRESSAVG: 4351400 13.2275 -25.884 -18.3719 -25.884 -19.3636 56.226 -18.3719 56.226 -7.46431 GPRESSAVG: 4351400 13.1624 -26.436 -19.3677 -26.783 -19.2943 55.2382 -18.858 57.0899 -6.99574 TIMING: 4351400 CPU: 13592.7, 0.00307974/step Wall: 13592.7, 0.00307974/step, 0.554866 hours remaining, 235.562500 MB of memory in use. ENERGY: 4351400 4018.9905 20580.5960 14466.6126 231.8561 -203559.2565 2799.6492 0.0000 0.0000 52119.0793 -109342.4729 299.5291 -161461.5522 -108975.4014 298.9697 -2.8487 30.2741 761937.6754 -4.5335 -4.3759 PRESSURE: 4351600 -25.2174 68.668 -89.6359 68.6679 -19.6755 70.5543 -89.6365 70.5533 -104.231 GPRESSURE: 4351600 -0.0236173 19.0987 -27.6766 144.342 18.0281 49.2491 -165.576 46 -76.1573 PRESSAVG: 4351600 -12.8906 -36.5896 40.9537 -36.5896 -22.3602 3.2729 40.9537 3.27285 27.4734 GPRESSAVG: 4351600 -13.9099 -36.673 41.5595 -37.2656 -21.0775 5.44241 38.0151 1.66691 27.5495 TIMING: 4351600 CPU: 13593.4, 0.00308711/step Wall: 13593.4, 0.00308711/step, 0.556023 hours remaining, 235.562500 MB of memory in use. ENERGY: 4351600 4076.3002 20456.9708 14515.3761 247.6946 -203070.1722 2275.9037 0.0000 0.0000 52214.7493 -109283.1774 300.0789 -161497.9267 -108916.1636 299.4541 -49.7081 -19.3843 762851.3864 -2.5924 -2.4793 PRESSURE: 4351800 -237.486 -171.372 165.14 -171.371 178.964 -14.2327 165.139 -14.2324 112.761 GPRESSURE: 4351800 -111.236 -140.772 128.514 -88.3426 120.285 -52.9447 204.09 -52.8245 121.273 PRESSAVG: 4351800 15.0851 -38.883 8.64256 -38.883 19.6403 1.35844 8.64258 1.3584 7.28007 GPRESSAVG: 4351800 18.3076 -38.6923 7.74257 -37.5584 16.8363 0.782229 11.1976 2.34805 7.26546 TIMING: 4351800 CPU: 13594, 0.00310037/step Wall: 13594, 0.00310037/step, 0.558238 hours remaining, 235.562500 MB of memory in use. ENERGY: 4351800 4023.0418 20665.7189 14526.8417 253.7950 -203188.2166 2533.3197 0.0000 0.0000 51970.3051 -109215.1944 298.6741 -161185.4995 -108865.1941 299.2218 18.0797 43.4406 761636.3578 14.0018 14.1365 PRESSURE: 4352000 -206.382 7.52528 -96.4751 7.52535 -54.4835 -7.7481 -96.4745 -7.74621 -99.8744 GPRESSURE: 4352000 -251.779 -92.9362 -100.492 -100.36 40.528 -17.4666 -239.913 -7.2538 -55.2585 PRESSAVG: 4352000 -24.2938 2.81839 18.3462 2.81838 39.718 34.0305 18.3462 34.0304 -1.92201 GPRESSAVG: 4352000 -27.2674 3.66264 18.1488 2.76844 42.351 33.4125 19.6973 34.234 -1.56252 TIMING: 4352000 CPU: 13594.6, 0.00308993/step Wall: 13594.6, 0.00308993/step, 0.556188 hours remaining, 235.562500 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: 4352000 4008.8926 20601.6932 14500.2981 244.9053 -203218.1170 2655.5592 0.0000 0.0000 51878.8470 -109327.9216 298.1484 -161206.7686 -108968.8449 299.1549 -120.2466 -88.8365 762374.3755 4.5007 4.5071 PRESSURE: 4352200 -34.4248 -36.645 59.8012 -36.644 50.6374 111.331 59.8012 111.332 221.492 GPRESSURE: 4352200 64.7474 -36.4512 30.0851 -136.74 65.5853 84.7508 122.514 134.512 183.482 PRESSAVG: 4352200 19.4885 -35.9368 -82.3643 -35.9368 -58.6949 4.21369 -82.3643 4.21375 -3.73302 GPRESSAVG: 4352200 21.454 -35.7326 -82.9749 -38.6931 -60.6477 4.9113 -82.0332 2.89313 -4.01341 TIMING: 4352200 CPU: 13595.2, 0.00307673/step Wall: 13595.2, 0.00307673/step, 0.55364 hours remaining, 235.562500 MB of memory in use. ENERGY: 4352200 3984.5733 20690.3899 14513.7924 255.3980 -203136.2148 2471.3944 0.0000 0.0000 51875.8257 -109344.8410 298.1311 -161220.6668 -108988.3765 298.8772 79.2348 104.6049 762757.0895 -14.3131 -14.4024 LDB: ============= START OF LOAD BALANCING ============== 13607.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13607.7 LDB: =============== DONE WITH MIGRATION ================ 13607.7 LDB: ============= START OF LOAD BALANCING ============== 13608 LDB: Largest compute 7026 load 0.031138 is 15.9% of average load 0.195257 LDB: Average compute 0.004415 is 2.3% of average load 0.195257 LDB: TIME 13608 LOAD: AVG 0.195257 MAX 0.21897 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.52 MB LDB: TIME 13608 LOAD: AVG 0.195257 MAX 0.21897 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.723 MB LDB: TIME 13608 LOAD: AVG 0.195257 MAX 0.212765 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.723 MB LDB: ============== END OF LOAD BALANCING =============== 13608 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13608 PRESSURE: 4352400 -144.216 1.63375 -164.863 1.63337 -346.526 310.427 -164.863 310.427 -96.038 GPRESSURE: 4352400 -156.037 -80.9957 -93.671 93.036 -291.212 272.915 -210.469 278.783 -49.941 PRESSAVG: 4352400 33.4381 -32.6138 -34.4469 -32.6138 -27.9807 7.5998 -34.4468 7.59976 17.4569 GPRESSAVG: 4352400 32.3854 -32.8548 -34.0885 -30.0328 -26.4515 7.87801 -35.9842 7.85452 16.9587 TIMING: 4352400 CPU: 13595.8, 0.00315505/step Wall: 13595.8, 0.00315505/step, 0.567559 hours remaining, 233.750000 MB of memory in use. ENERGY: 4352400 3965.4163 20401.3276 14529.2482 245.7199 -203020.6180 2621.9191 0.0000 0.0000 51990.1660 -109266.8208 298.7882 -161256.9868 -108901.0676 298.7807 -195.5931 -165.7297 764176.6679 7.6381 7.6309 PRESSURE: 4352600 -153.139 127.358 139.302 127.357 -127.038 -193.397 139.302 -193.397 -246.385 GPRESSURE: 4352600 -71.4787 162.622 115.08 138.43 -205.956 -130.022 230.145 -209.031 -161.714 PRESSAVG: 4352600 -0.972023 44.1803 -41.7979 44.1803 -13.1295 0.0964601 -41.7979 0.0963382 -8.16508 GPRESSAVG: 4352600 0.121214 43.6144 -42.2049 44.072 -15.0197 -1.63486 -39.9525 0.563167 -7.17799 TIMING: 4352600 CPU: 13596.5, 0.00308884/step Wall: 13596.5, 0.00308884/step, 0.555477 hours remaining, 233.949219 MB of memory in use. ENERGY: 4352600 3921.3811 20422.0654 14530.7178 229.4121 -203115.8420 2651.4711 0.0000 0.0000 51953.4479 -109407.3466 298.5772 -161360.7945 -109042.5043 298.6458 -175.5208 -146.3829 763023.2059 -7.4222 -7.3588 PRESSURE: 4352800 -91.3459 134.526 -242.225 134.525 -112.176 99.7185 -242.226 99.7184 -403.244 GPRESSURE: 4352800 -109.136 106.393 -152.981 -3.99972 -1.73208 143.098 -273.124 133.791 -413.084 PRESSAVG: 4352800 10.2702 -40.977 -54.0304 -40.977 -11.9785 0.243924 -54.0304 0.243906 6.27054 GPRESSAVG: 4352800 9.82571 -41.693 -52.0678 -38.2805 -10.9602 0.920692 -57.2337 1.0066 5.52852 TIMING: 4352800 CPU: 13597.1, 0.00309624/step Wall: 13597.1, 0.00309624/step, 0.556635 hours remaining, 233.949219 MB of memory in use. ENERGY: 4352800 3917.2334 20293.1601 14461.9174 246.1630 -203281.9720 2571.6725 0.0000 0.0000 52039.9941 -109751.8314 299.0746 -161791.8255 -109394.1529 298.5296 -202.2554 -174.6506 761663.4315 1.5207 1.4647 PRESSURE: 4353000 211.094 -148.241 -276.932 -148.24 -47.0032 87.5402 -276.933 87.5395 116.004 GPRESSURE: 4353000 220.598 -225.564 -171.151 -87.718 46.8663 156.572 -232.645 -45.8857 102.114 PRESSAVG: 4353000 -30.4346 -34.8698 -48.1267 -34.8698 9.43368 24.7856 -48.1267 24.7856 5.35895 GPRESSAVG: 4353000 -30.9456 -33.6584 -48.6013 -37.5929 9.95094 24.7169 -46.5041 22.2604 4.90621 TIMING: 4353000 CPU: 13597.7, 0.00310188/step Wall: 13597.7, 0.00310188/step, 0.557477 hours remaining, 233.949219 MB of memory in use. ENERGY: 4353000 3892.4036 20332.0348 14508.3090 250.2666 -203258.3271 2482.1994 0.0000 0.0000 51958.5640 -109834.5496 298.6066 -161793.1136 -109476.9852 297.7964 93.3649 123.1926 761289.4935 -5.2140 -5.3628 PRESSURE: 4353200 -62.322 1.66085 -171.957 1.66049 -400.49 -131.06 -171.958 -131.059 -152.005 GPRESSURE: 4353200 -10.0317 -33.0608 -228.715 65.1635 -364.268 -98.969 -116.867 -115.945 -136.906 PRESSAVG: 4353200 66.4571 12.0335 -28.2151 12.0335 -37.1736 -17.2828 -28.2151 -17.2827 -1.65817 GPRESSAVG: 4353200 66.3513 11.8377 -29.128 12.5933 -37.2236 -16.339 -27.9362 -16.2683 -1.42345 TIMING: 4353200 CPU: 13598.3, 0.00310109/step Wall: 13598.3, 0.00310109/step, 0.557162 hours remaining, 233.949219 MB of memory in use. ENERGY: 4353200 3953.2183 20491.9357 14458.8378 237.2793 -203471.5732 2404.3826 0.0000 0.0000 52050.7321 -109875.1876 299.1363 -161925.9196 -109520.2108 298.2017 -204.9390 -170.4019 762085.0799 9.2085 9.2348 PRESSURE: 4353400 -101.593 -103.207 89.802 -103.208 -73.2205 14.1973 89.8016 14.197 -26.8235 GPRESSURE: 4353400 -36.6871 14.5415 177.938 -230.503 4.65788 -72.5035 26.9774 115.685 -103.317 PRESSAVG: 4353400 -48.0953 -40.1955 -18.4927 -40.1955 18.1429 22.2902 -18.4927 22.2902 7.80617 GPRESSAVG: 4353400 -48.8673 -39.6819 -17.3996 -39.7758 18.2414 20.2757 -19.9958 22.8609 7.81152 TIMING: 4353400 CPU: 13598.9, 0.00309529/step Wall: 13598.9, 0.00309529/step, 0.555949 hours remaining, 233.949219 MB of memory in use. ENERGY: 4353400 3962.7812 20343.2417 14422.2843 244.8386 -203377.7196 2632.9430 0.0000 0.0000 51952.7534 -109818.8774 298.5732 -161771.6308 -109460.2771 298.4930 -67.2124 -45.1154 763013.3218 -7.3821 -7.6048 PRESSURE: 4353600 242.987 242.203 -188.02 242.204 178.183 -280.62 -188.02 -280.62 -19.4786 GPRESSURE: 4353600 219.806 175.913 -173.948 208.032 190.93 -260.329 -195.561 -218.715 67.3741 PRESSAVG: 4353600 12.8182 -18.7509 -32.0462 -18.7509 41.0795 -47.9516 -32.0462 -47.9515 24.1612 GPRESSAVG: 4353600 13.0834 -19.2397 -31.1767 -19.7702 41.2045 -46.452 -31.625 -48.5158 23.7388 TIMING: 4353600 CPU: 13599.6, 0.00309085/step Wall: 13599.6, 0.00309085/step, 0.554979 hours remaining, 233.949219 MB of memory in use. ENERGY: 4353600 3917.2848 20332.5937 14508.0896 262.2500 -203457.0403 2682.3250 0.0000 0.0000 51915.2033 -109839.2940 298.3574 -161754.4973 -109480.0669 298.1048 133.8970 159.3698 763479.7894 26.0196 26.0089 PRESSURE: 4353800 29.509 162.753 -309.237 162.752 -59.7334 29.6237 -309.237 29.6237 -213.481 GPRESSURE: 4353800 36.3536 140.8 -307.088 127.528 51.6221 -56.4953 -197.627 20.5084 -247.445 PRESSAVG: 4353800 -16.2437 -49.9801 -37.5453 -49.9801 7.96523 -36.2901 -37.5452 -36.29 24.3316 GPRESSAVG: 4353800 -16.1822 -51.2682 -37.9165 -49.9163 6.3617 -35.0335 -36.8436 -35.9748 25.9446 TIMING: 4353800 CPU: 13600.2, 0.00308676/step Wall: 13600.2, 0.00308676/step, 0.554073 hours remaining, 233.949219 MB of memory in use. ENERGY: 4353800 3931.1329 20404.7586 14504.5850 234.4574 -203050.8514 2408.3625 0.0000 0.0000 51844.9942 -109722.5608 297.9539 -161567.5550 -109368.5619 297.6649 -81.2353 -53.1564 763534.0143 5.3510 5.3747 PRESSURE: 4354000 169.961 40.4935 -230.795 40.4945 -59.9818 -89.3199 -230.795 -89.3211 154.344 GPRESSURE: 4354000 128.225 133.567 -222.15 -23.4657 28.3083 -31.8447 -25.3714 -98.7515 202.42 PRESSAVG: 4354000 -4.71191 20.748 -59.9813 20.748 -26.3866 -7.92338 -59.9813 -7.92342 10.0896 GPRESSAVG: 4354000 -4.05227 22.1932 -60.9801 20.8638 -26.4289 -8.16173 -59.4636 -8.28335 9.42731 TIMING: 4354000 CPU: 13600.8, 0.00309473/step Wall: 13600.8, 0.00309474/step, 0.555333 hours remaining, 233.949219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4354000 3907.8028 20363.1212 14496.6101 237.8075 -203188.0821 2835.4806 0.0000 0.0000 51990.5334 -109356.7265 298.7903 -161347.2599 -108991.5903 298.6578 88.1075 119.6510 764822.3378 -7.0030 -7.0179 PRESSURE: 4354200 -210.581 -68.473 252.562 -68.4739 -17.8627 -6.98506 252.562 -6.98496 68.1884 GPRESSURE: 4354200 -144.274 -115.682 218.05 57.8086 -22.794 -82.1134 143.841 -41.837 112.629 PRESSAVG: 4354200 61.0304 27.5256 6.9208 27.5257 -33.172 -32.4359 6.92076 -32.4358 3.08589 GPRESSAVG: 4354200 59.553 27.4961 7.61516 28.2361 -32.136 -33.5582 7.34889 -31.6344 3.85113 TIMING: 4354200 CPU: 13601.4, 0.0030778/step Wall: 13601.4, 0.0030778/step, 0.552122 hours remaining, 233.949219 MB of memory in use. ENERGY: 4354200 3957.1942 20448.9444 14543.4986 241.6117 -203498.1809 2774.5964 0.0000 0.0000 52015.1574 -109517.1781 298.9318 -161532.3355 -109153.2288 298.8966 -53.4183 -18.1464 762936.1025 10.3148 10.4227 PRESSURE: 4354400 144.489 93.4169 -133.71 93.4169 24.0121 48.0104 -133.71 48.0103 -72.6547 GPRESSURE: 4354400 178.129 44.731 -163.59 140.936 42.1552 56.2101 -64.2928 -38.0361 -34.4947 PRESSAVG: 4354400 35.1295 9.5766 26.3424 9.57665 -46.3936 -45.923 26.3424 -45.923 21.4341 GPRESSAVG: 4354400 35.9936 8.76806 24.8361 9.59786 -46.5879 -46.0676 25.9996 -46.381 20.2412 TIMING: 4354400 CPU: 13602, 0.00308232/step Wall: 13602, 0.00308232/step, 0.552762 hours remaining, 233.949219 MB of memory in use. ENERGY: 4354400 4049.4103 20474.9195 14393.9395 223.4801 -203633.1632 2929.8599 0.0000 0.0000 51970.4571 -109591.0968 298.6749 -161561.5539 -109228.8695 298.4155 31.9487 61.9300 765423.5996 3.3900 3.2156 PRESSURE: 4354600 3.47103 83.317 124.124 83.3174 25.2915 -157.277 124.124 -157.278 -1.9621 GPRESSURE: 4354600 39.1331 144.506 111.023 90.9086 194.989 -122.768 -16.5446 -138.07 -97.1967 PRESSAVG: 4354600 4.13673 10.9819 -29.093 10.9819 19.5477 23.3661 -29.093 23.366 -0.0430714 GPRESSAVG: 4354600 3.66735 10.2938 -28.3037 9.94552 20.0345 23.6315 -31.3834 22.4987 0.635453 TIMING: 4354600 CPU: 13602.6, 0.00310206/step Wall: 13602.6, 0.00310206/step, 0.55613 hours remaining, 233.949219 MB of memory in use. ENERGY: 4354600 3917.0238 20445.9630 14529.4587 240.7639 -203780.0861 2982.7220 0.0000 0.0000 51966.6688 -109697.4860 298.6532 -161664.1548 -109329.0095 298.6511 8.9335 45.6416 761725.6924 7.8804 8.1124 PRESSURE: 4354800 81.4496 58.056 -172.161 58.0563 -112.279 -330.326 -172.162 -330.327 298.173 GPRESSURE: 4354800 96.3168 182.035 -96.9834 11.4776 -14.0201 -313.094 -209.575 -225.972 273.287 PRESSAVG: 4354800 -53.4003 16.9771 -9.68882 16.9771 41.5775 -12.6175 -9.68875 -12.6174 3.00623 GPRESSAVG: 4354800 -52.6153 19.5353 -8.64705 17.7357 40.9155 -13.3605 -8.24318 -8.7578 2.11302 TIMING: 4354800 CPU: 13603.3, 0.00311645/step Wall: 13603.3, 0.00311645/step, 0.558538 hours remaining, 233.949219 MB of memory in use. ENERGY: 4354800 3905.8313 20502.4492 14500.9712 249.9345 -203752.3487 2980.9399 0.0000 0.0000 51819.9635 -109792.2592 297.8100 -161612.2227 -109423.3743 298.6253 89.1144 118.5278 763217.2208 -2.9388 -3.1956 PRESSURE: 4355000 5.04605 -76.3483 129.704 -76.3492 -162.593 -273.532 129.704 -273.532 173.697 GPRESSURE: 4355000 32.3707 -77.3966 174.715 -82.8856 -139.457 -263.679 -53.8037 -186.264 204.393 PRESSAVG: 4355000 -38.3959 -18.0444 15.942 -18.0444 35.8889 -12.3702 15.9419 -12.3703 2.65746 GPRESSAVG: 4355000 -38.6372 -20.5645 14.892 -19.0549 37.3363 -10.6227 17.4968 -14.851 1.67236 TIMING: 4355000 CPU: 13603.9, 0.00310546/step Wall: 13603.9, 0.00310546/step, 0.556395 hours remaining, 233.949219 MB of memory in use. ENERGY: 4355000 4036.9524 20421.5873 14446.6501 255.1350 -203825.4997 2975.7170 0.0000 0.0000 51769.4537 -109920.0041 297.5198 -161689.4578 -109558.5851 297.9744 5.3834 32.4355 762496.1756 0.0502 0.1238 PRESSURE: 4355200 8.21215 285.412 201.107 285.411 -42.8948 106.344 201.106 106.346 -128.25 GPRESSURE: 4355200 28.6698 273.91 137.442 251.997 8.73785 3.01891 242.183 65.7718 -97.4538 PRESSAVG: 4355200 -16.8741 -1.47874 8.58123 -1.47869 4.77738 44.4645 8.5813 44.4647 13.6747 GPRESSAVG: 4355200 -16.0891 -0.449458 8.37239 -1.63803 3.2577 44.4943 7.48572 43.413 14.0426 TIMING: 4355200 CPU: 13604.5, 0.00309546/step Wall: 13604.5, 0.00309546/step, 0.554431 hours remaining, 233.949219 MB of memory in use. ENERGY: 4355200 3995.0333 20650.1447 14470.0756 252.7657 -204186.2477 3002.4857 0.0000 0.0000 52133.5861 -109682.1564 299.6124 -161815.7425 -109319.7574 298.5903 -54.3108 -20.0154 762941.3915 0.5260 0.4038 PRESSURE: 4355400 -126.813 -63.7973 12.9192 -63.7978 103.705 -15.2129 12.919 -15.2135 -340.53 GPRESSURE: 4355400 -118.248 -55.2279 -16.8763 27.6856 161.09 -39.1529 84.5968 -19.0004 -295.037 PRESSAVG: 4355400 -16.79 22.3375 15.5779 22.3375 18.4824 53.9923 15.5779 53.9922 2.87045 GPRESSAVG: 4355400 -16.5758 22.2257 15.797 25.3769 18.3592 53.8037 16.7964 56.2477 2.63565 TIMING: 4355400 CPU: 13605.1, 0.00311436/step Wall: 13605.1, 0.00311436/step, 0.557644 hours remaining, 233.949219 MB of memory in use. ENERGY: 4355400 3943.4785 20556.2823 14483.8362 249.8654 -203551.3255 2531.3443 0.0000 0.0000 52250.9082 -109535.6106 300.2867 -161786.5188 -109157.2357 298.8198 -121.2126 -84.0649 761644.7607 1.5209 1.4730 PRESSURE: 4355600 -155.177 127.454 47.4538 127.454 -258.425 56.499 47.4544 56.4978 -154.163 GPRESSURE: 4355600 -103.646 218.586 -76.6327 91.2439 -232.269 22.6586 -13.8166 -14.6631 -136.883 PRESSAVG: 4355600 -58.246 -12.8951 15.1622 -12.8951 -5.4472 42.2031 15.1622 42.2031 7.31787 GPRESSAVG: 4355600 -56.963 -12.8185 14.8016 -12.7067 -6.90929 43.5907 13.6277 40.5407 7.87845 TIMING: 4355600 CPU: 13605.8, 0.00309765/step Wall: 13605.8, 0.00309765/step, 0.554479 hours remaining, 233.949219 MB of memory in use. ENERGY: 4355600 3981.4928 20541.6414 14465.8497 237.3722 -203509.8207 2736.5943 0.0000 0.0000 51975.0347 -109571.8358 298.7012 -161546.8705 -109204.7691 299.1524 -189.2554 -157.5995 763784.5148 -18.7918 -18.6646 PRESSURE: 4355800 179.687 40.562 -167.736 40.5613 -194.532 334.413 -167.736 334.414 555.481 GPRESSURE: 4355800 182.097 -83.577 -150.16 -39.7302 -115.691 383.311 -63.7081 275.111 547.593 PRESSAVG: 4355800 57.8504 45.3784 -41.2402 45.3783 -38.5644 61.1307 -41.2402 61.1307 -8.45702 GPRESSAVG: 4355800 54.9142 43.4537 -40.6768 44.7259 -36.5699 59.0203 -41.22 62.2022 -7.84824 TIMING: 4355800 CPU: 13606.4, 0.00309497/step Wall: 13606.4, 0.00309497/step, 0.553827 hours remaining, 233.949219 MB of memory in use. ENERGY: 4355800 3838.8701 20638.5106 14482.3590 254.9308 -203110.6500 2608.8348 0.0000 0.0000 51981.2695 -109305.8752 298.7371 -161287.1447 -108932.7999 298.4918 180.2117 204.6665 762811.2296 3.6096 3.4987 PRESSURE: 4356000 -525.675 61.0389 101.581 61.0388 46.3972 98.3524 101.582 98.3517 150.317 GPRESSURE: 4356000 -468.849 23.5438 -16.6657 -28.8977 104.347 76.0027 121.871 -12.2554 112.948 PRESSAVG: 4356000 23.807 -5.72198 14.4402 -5.72199 -12.6847 24.7963 14.4402 24.7963 15.6301 GPRESSAVG: 4356000 24.5102 -3.97025 12.442 -8.02903 -13.5766 24.7852 15.4838 24.5963 15.4226 TIMING: 4356000 CPU: 13607, 0.0031104/step Wall: 13607, 0.0031104/step, 0.556417 hours remaining, 233.949219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4356000 4043.7117 20724.5294 14508.1015 249.2973 -203411.8955 2564.0283 0.0000 0.0000 52122.4379 -109199.7893 299.5484 -161322.2272 -108847.1290 299.2914 -109.6536 -83.8513 760243.8705 8.9174 8.7854 PRESSURE: 4356200 -148.613 -99.2041 80.1405 -99.2046 -19.6552 -159.442 80.1395 -159.441 142.231 GPRESSURE: 4356200 -32.3123 -149.548 4.51462 -136.549 -20.6922 -131.852 64.8712 -60.7254 133.049 PRESSAVG: 4356200 -52.7455 -39.0514 0.237082 -39.0514 55.988 10.6359 0.237006 10.6359 -2.86422 GPRESSAVG: 4356200 -52.5825 -38.3268 -0.0778943 -37.072 56.2436 11.0834 1.09502 10.5778 -3.45071 TIMING: 4356200 CPU: 13607.6, 0.00310524/step Wall: 13607.6, 0.00310524/step, 0.555321 hours remaining, 233.949219 MB of memory in use. ENERGY: 4356200 4018.7108 20667.7741 14464.6620 257.8860 -203204.7953 2595.6843 0.0000 0.0000 52212.1231 -108987.9549 300.0638 -161200.0780 -108621.6083 299.6709 -8.6789 26.6816 762187.8380 0.1261 0.0702 LDB: ============= START OF LOAD BALANCING ============== 13620.1 LDB: ============== END OF LOAD BALANCING =============== 13620.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13620.1 LDB: ============= START OF LOAD BALANCING ============== 13620.4 LDB: Largest compute 7028 load 0.031131 is 15.9% of average load 0.195188 LDB: Average compute 0.004405 is 2.3% of average load 0.195188 LDB: TIME 13620.4 LOAD: AVG 0.195188 MAX 0.214098 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.777 MB LDB: TIME 13620.4 LOAD: AVG 0.195188 MAX 0.214098 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.781 MB LDB: TIME 13620.4 LOAD: AVG 0.195188 MAX 0.214098 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.781 MB LDB: ============== END OF LOAD BALANCING =============== 13620.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13620.4 PRESSURE: 4356400 -368.53 35.871 -46.0017 35.8708 -248.484 24.5876 -46.0016 24.5877 246.708 GPRESSURE: 4356400 -362.671 13.3515 -49.3684 60.7427 -166.585 80.9947 -154.611 23.0538 240.217 PRESSAVG: 4356400 83.4095 7.20413 -9.11094 7.20405 -44.642 29.231 -9.11094 29.2311 9.97986 GPRESSAVG: 4356400 83.4837 4.62212 -6.32065 7.64115 -44.1573 30.1059 -10.9489 28.8791 9.60397 TIMING: 4356400 CPU: 13608.2, 0.00318511/step Wall: 13608.2, 0.00318511/step, 0.569427 hours remaining, 234.246094 MB of memory in use. ENERGY: 4356400 4050.3737 20626.4372 14499.0610 255.0659 -202817.6934 2356.4328 0.0000 0.0000 52015.8339 -109014.4889 298.9357 -161030.3228 -108649.3870 300.0461 -123.4350 -96.3463 763061.2945 16.2491 16.3101 PRESSURE: 4356600 -29.0136 -83.773 22.4918 -83.7746 -170.479 29.4881 22.4916 29.4886 106.334 GPRESSURE: 4356600 -21.2582 -110.422 68.3613 -33.3854 -58.8869 56.0547 69.0661 -66.6376 60.944 PRESSAVG: 4356600 14.3326 -9.61579 -35.322 -9.61573 -15.9085 -1.38575 -35.3219 -1.38581 -5.59634 GPRESSAVG: 4356600 14.4654 -8.76496 -35.7075 -10.1394 -15.4002 -3.64077 -37.0932 -2.01216 -5.96833 TIMING: 4356600 CPU: 13608.9, 0.0031019/step Wall: 13608.9, 0.0031019/step, 0.554379 hours remaining, 234.503906 MB of memory in use. ENERGY: 4356600 4042.7816 20688.6450 14516.4176 238.5721 -203194.8333 2726.1038 0.0000 0.0000 51786.8136 -109195.4995 297.6195 -160982.3131 -108837.1636 299.7366 -31.0530 -6.4004 762816.2752 -2.3907 -2.3010 PRESSURE: 4356800 22.035 -4.7392 133.345 -4.73964 -175.607 104.299 133.346 104.3 -223.955 GPRESSURE: 4356800 92.0677 -35.193 111.647 70.8634 -153.989 104.657 184.382 2.48095 -219.347 PRESSAVG: 4356800 12.9889 -19.1229 2.60918 -19.123 -8.60619 -42.4862 2.60921 -42.4862 1.6576 GPRESSAVG: 4356800 13.9171 -18.6978 1.92189 -18.8653 -9.11469 -39.4418 5.71656 -42.7076 1.77173 TIMING: 4356800 CPU: 13609.5, 0.00309843/step Wall: 13609.5, 0.00309843/step, 0.553587 hours remaining, 234.503906 MB of memory in use. ENERGY: 4356800 3995.0198 20667.0613 14469.0004 257.4318 -203502.4581 2914.4507 0.0000 0.0000 51845.6139 -109353.8802 297.9575 -161199.4941 -109006.2588 299.7358 -125.8422 -93.7561 761721.7676 2.0135 2.1914 PRESSURE: 4357000 -281.986 -65.5526 116.523 -65.553 -238.463 52.0929 116.523 52.0923 401.87 GPRESSURE: 4357000 -131.234 21.7089 40.7497 71.7429 -244.641 73.7868 -8.18511 -20.8696 340.549 PRESSAVG: 4357000 10.3451 -42.2695 0.912282 -42.2695 -17.0289 -19.747 0.912311 -19.7469 15.2486 GPRESSAVG: 4357000 8.85941 -41.1689 0.430018 -45.1537 -17.0204 -22.9901 0.0871455 -18.6612 16.2907 TIMING: 4357000 CPU: 13610.1, 0.00310463/step Wall: 13610.1, 0.00310463/step, 0.554522 hours remaining, 234.574219 MB of memory in use. ENERGY: 4357000 4059.0060 20613.4903 14519.4846 255.8447 -203598.6713 2844.6610 0.0000 0.0000 51870.7790 -109435.4056 298.1021 -161306.1846 -109070.2717 299.6842 -39.5261 -11.7753 762302.3934 2.8549 2.7099 PRESSURE: 4357200 279.597 10.1496 -273.276 10.1487 49.3711 -216.932 -273.275 -216.934 -7.10892 GPRESSURE: 4357200 313.281 -4.04994 -231.19 -64.5929 137.981 -184.769 -225.757 -292.367 -46.166 PRESSAVG: 4357200 18.0071 -4.83954 -34.3323 -4.83958 -13.2449 2.81751 -34.3323 2.8175 -1.69138 GPRESSAVG: 4357200 17.8346 -5.82356 -33.8552 -3.04266 -12.7438 4.91809 -31.8872 2.89386 -1.93895 TIMING: 4357200 CPU: 13610.7, 0.00310818/step Wall: 13610.7, 0.00310818/step, 0.554982 hours remaining, 234.589844 MB of memory in use. ENERGY: 4357200 3932.8564 20356.5387 14569.6673 235.5320 -203537.9639 2765.1363 0.0000 0.0000 52342.9309 -109335.3023 300.8155 -161678.2332 -108970.9438 299.7867 107.2865 135.0319 760416.7356 1.0236 1.0506 PRESSURE: 4357400 -577.451 -133.117 -300.729 -133.116 -362.696 4.19851 -300.729 4.1974 -200.962 GPRESSURE: 4357400 -564.037 -104.075 -176.054 -144.541 -319.753 25.1372 -268.522 -76.1651 -156.253 PRESSAVG: 4357400 -26.0923 1.38135 -43.0582 1.38134 18.6814 27.1876 -43.0581 27.1876 2.31675 GPRESSAVG: 4357400 -25.7073 1.45766 -42.4743 2.59605 18.3861 27.6157 -46.2838 27.6879 1.7147 TIMING: 4357400 CPU: 13611.4, 0.00312405/step Wall: 13611.4, 0.00312405/step, 0.557643 hours remaining, 234.589844 MB of memory in use. ENERGY: 4357400 4092.3079 20508.9792 14535.3819 233.2341 -203380.9194 2674.4236 0.0000 0.0000 52120.0265 -109216.5662 299.5345 -161336.5927 -108852.7032 299.8407 -380.3700 -346.6811 763155.4558 -1.6980 -1.8688 PRESSURE: 4357600 -347.705 117.4 8.25266 117.4 -756.797 -180.226 8.25246 -180.226 -804.02 GPRESSURE: 4357600 -234.588 153.021 -46.0767 55.528 -808.391 -9.90472 3.46528 -76.6882 -773.987 PRESSAVG: 4357600 -15.6845 12.5685 -28.1139 12.5685 45.4718 19.505 -28.1139 19.505 -7.10035 GPRESSAVG: 4357600 -15.3857 13.2562 -28.2729 12.3054 44.4421 19.3882 -27.7295 19.9861 -6.203 TIMING: 4357600 CPU: 13612, 0.00312264/step Wall: 13612, 0.00312264/step, 0.557218 hours remaining, 234.589844 MB of memory in use. ENERGY: 4357600 4060.2998 20696.8378 14491.1517 239.8923 -202897.9239 2115.7487 0.0000 0.0000 51994.0638 -109299.9299 298.8106 -161293.9937 -108938.0665 299.2559 -636.1739 -605.6556 763006.2029 7.5623 7.6178 PRESSURE: 4357800 -93.0558 16.2268 9.78667 16.2261 90.1146 -155.7 9.78731 -155.7 98.3598 GPRESSURE: 4357800 -50.208 14.3954 -93.4146 59.6051 126.808 -92.1784 12.1804 -94.3365 86.7901 PRESSAVG: 4357800 13.1085 -45.8705 -29.5392 -45.8706 27.6602 28.6856 -29.5392 28.6855 -17.0979 GPRESSAVG: 4357800 13.1598 -45.1879 -30.2527 -47.0432 28.3459 27.3007 -31.5742 29.5171 -17.371 TIMING: 4357800 CPU: 13612.6, 0.00314514/step Wall: 13612.6, 0.00314514/step, 0.561058 hours remaining, 234.589844 MB of memory in use. ENERGY: 4357800 4006.9587 20544.2020 14523.5537 225.4270 -203315.7163 2689.4420 0.0000 0.0000 51876.6412 -109449.4918 298.1358 -161326.1330 -109089.1769 299.1122 31.8062 54.4633 762205.4236 7.8903 8.0449 PRESSURE: 4358000 314.755 66.3117 19.2738 66.3117 -446.583 -23.8942 19.2741 -23.8952 60.3988 GPRESSURE: 4358000 259.761 54.3565 108.943 -36.863 -309.953 -93.4439 29.588 5.57943 52.2301 PRESSAVG: 4358000 -77.0256 -82.0188 -0.771276 -82.0188 68.6659 25.8515 -0.771186 25.8516 -21.9457 GPRESSAVG: 4358000 -77.9565 -83.6769 0.315805 -82.198 69.2182 27.8541 2.48697 25.442 -22.0136 TIMING: 4358000 CPU: 13613.2, 0.00313346/step Wall: 13613.2, 0.00313346/step, 0.5588 hours remaining, 234.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4358000 4023.3705 20410.8762 14496.2579 248.8018 -203486.8037 2573.3802 0.0000 0.0000 52316.9036 -109417.2135 300.6660 -161734.1171 -109058.2154 298.8875 -23.8100 0.6791 763818.2425 -10.1018 -10.2506 PRESSURE: 4358200 -17.2749 -12.7262 -200.107 -12.7262 79.2079 36.0805 -200.107 36.0806 56.9472 GPRESSURE: 4358200 16.3112 -45.7854 -145.671 -43.098 125.585 -15.4054 -155.042 62.0118 37.7071 PRESSAVG: 4358200 19.6696 -13.1055 -3.54314 -13.1055 -5.64061 3.73981 -3.54309 3.73987 5.1731 GPRESSAVG: 4358200 19.6092 -11.3371 -3.25471 -13.933 -5.36404 2.52294 -5.32068 2.53397 4.40303 TIMING: 4358200 CPU: 13613.9, 0.00315712/step Wall: 13613.9, 0.00315712/step, 0.562844 hours remaining, 234.589844 MB of memory in use. ENERGY: 4358200 3935.1116 20558.1381 14570.6112 240.1104 -203777.2756 3096.2408 0.0000 0.0000 52095.6602 -109281.4034 299.3945 -161377.0636 -108918.9333 299.3492 39.6267 59.8678 763743.1804 6.4007 6.2161 PRESSURE: 4358400 206.999 112.391 137.122 112.39 -106.564 -72.2056 137.123 -72.2062 -127.532 GPRESSURE: 4358400 112.997 79.8822 206.574 96.1477 10.0453 2.28129 69.217 -42.4845 -67.4274 PRESSAVG: 4358400 37.5792 37.1463 -9.76361 37.1462 -7.28022 63.9289 -9.76359 63.9288 16.6036 GPRESSAVG: 4358400 37.8801 37.0014 -12.1852 38.6231 -8.80444 65.0433 -7.58408 64.5793 17.9838 TIMING: 4358400 CPU: 13614.5, 0.00311143/step Wall: 13614.5, 0.00311143/step, 0.554525 hours remaining, 234.589844 MB of memory in use. ENERGY: 4358400 3964.9064 20494.0836 14562.5939 258.1075 -203650.1487 2957.6639 0.0000 0.0000 52209.5886 -109203.2049 300.0492 -161412.7935 -108835.1238 299.2343 -9.0324 18.5384 762799.6662 15.6342 15.6865 PRESSURE: 4358600 -323.523 -8.20567 144.662 -8.20579 280.198 -67.7902 144.662 -67.7909 -279.393 GPRESSURE: 4358600 -255.93 85.7764 33.4658 2.19091 230.96 -86.5948 44.7092 -36.191 -228.436 PRESSAVG: 4358600 18.8505 61.8461 14.1756 61.8461 -24.4342 2.26689 14.1756 2.26685 30.7107 GPRESSAVG: 4358600 18.7637 59.2947 14.1745 63.1822 -24.1987 0.125471 13.3992 1.82 30.028 TIMING: 4358600 CPU: 13615.1, 0.00312145/step Wall: 13615.1, 0.00312145/step, 0.556138 hours remaining, 234.589844 MB of memory in use. ENERGY: 4358600 3947.9910 20500.0621 14577.5476 233.2813 -203468.3196 2777.9707 0.0000 0.0000 52103.7457 -109327.7211 299.4409 -161431.4668 -108967.9316 299.2054 -107.5727 -84.4685 762596.3839 8.3757 8.1977 PRESSURE: 4358800 -81.1653 18.3574 -33.9785 18.3578 -209.678 -261.482 -33.9784 -261.482 98.3432 GPRESSURE: 4358800 -31.6629 -7.30259 1.45771 -9.22959 -129.084 -231.861 45.5895 -59.1297 49.6796 PRESSAVG: 4358800 -59.0649 -34.9504 49.2642 -34.9503 50.4034 31.4748 49.2642 31.4747 -34.3961 GPRESSAVG: 4358800 -59.5766 -33.1604 51.5968 -36.6124 50.5712 33.1527 50.5355 31.3862 -34.1543 TIMING: 4358800 CPU: 13615.7, 0.00309856/step Wall: 13615.7, 0.00309856/step, 0.551888 hours remaining, 234.589844 MB of memory in use. ENERGY: 4358800 3979.8030 20545.2610 14514.4966 249.1778 -203685.1110 2963.5899 0.0000 0.0000 52157.6019 -109275.1807 299.7505 -161432.7826 -108918.6766 299.1117 -64.1667 -37.0226 762287.5856 -14.3525 -14.3866 PRESSURE: 4359000 -326.841 -48.0755 -262.484 -48.0759 -341.347 -135.323 -262.483 -135.323 81.1449 GPRESSURE: 4359000 -307.172 -76.6241 -274.729 -17.875 -297.565 -32.5371 -186.139 -116.454 120.572 PRESSAVG: 4359000 -11.432 -21.9313 -25.301 -21.9313 7.01052 42.6898 -25.301 42.6898 20.8242 GPRESSAVG: 4359000 -10.9347 -23.591 -26.2806 -20.1342 6.79699 40.8521 -26.167 42.9538 20.5283 TIMING: 4359000 CPU: 13616.4, 0.00308173/step Wall: 13616.4, 0.00308173/step, 0.54872 hours remaining, 234.589844 MB of memory in use. ENERGY: 4359000 3972.7851 20489.6767 14472.3302 234.9571 -203204.3424 2507.6073 0.0000 0.0000 52055.9041 -109471.0820 299.1660 -161526.9861 -109099.8509 298.6565 -195.6810 -161.3886 763562.8074 5.4676 5.4635 PRESSURE: 4359200 -251.942 -51.0115 -69.6502 -51.0118 -103.665 80.1948 -69.6501 80.1949 -38.4304 GPRESSURE: 4359200 -197.454 -58.0352 -157.145 -38.3883 -71.2652 52.8399 31.4863 122.286 -39.6135 PRESSAVG: 4359200 11.8286 -44.1502 4.62235 -44.1502 -64.3778 5.06786 4.62238 5.06783 -16.6039 GPRESSAVG: 4359200 11.2823 -43.6804 4.28062 -43.8348 -63.0464 6.87452 5.12444 4.22477 -17.2095 TIMING: 4359200 CPU: 13617, 0.00309722/step Wall: 13617, 0.00309722/step, 0.551305 hours remaining, 234.589844 MB of memory in use. ENERGY: 4359200 4049.9578 20469.4661 14532.4799 243.6152 -203201.4111 2465.0209 0.0000 0.0000 52076.3560 -109364.5151 299.2835 -161440.8712 -109009.8130 298.9706 -131.3458 -102.7775 761650.9968 -23.0510 -22.9912 PRESSURE: 4359400 -84.0505 147.19 -65.0652 147.189 211.418 -20.419 -65.0662 -20.418 328.323 GPRESSURE: 4359400 23.5838 164.484 -26.5089 223.752 271.932 57.9129 -151.71 73.8686 245.737 PRESSAVG: 4359400 -5.86489 -15.5546 -9.84164 -15.5546 9.14714 5.72967 -9.84166 5.72963 5.83163 GPRESSAVG: 4359400 -5.54534 -16.5752 -9.2625 -17.9159 7.75311 6.42803 -13.4723 5.83377 7.02767 TIMING: 4359400 CPU: 13617.6, 0.0031035/step Wall: 13617.6, 0.0031035/step, 0.55225 hours remaining, 234.589844 MB of memory in use. ENERGY: 4359400 4043.4409 20460.5066 14495.3654 245.2086 -203474.6275 2801.3435 0.0000 0.0000 51863.2733 -109565.4892 298.0589 -161428.7625 -109203.2735 298.5273 151.8968 180.4176 763292.9324 3.0380 3.0785 PRESSURE: 4359600 -102.743 137.04 -25.188 137.04 242.171 -25.3329 -25.1877 -25.3342 -25.4853 GPRESSURE: 4359600 -64.0614 30.3678 -15.5651 170.16 259.305 9.58498 46.1222 -1.38648 -4.67643 PRESSAVG: 4359600 32.4092 4.11622 8.11588 4.11619 1.08097 -8.27512 8.11584 -8.27518 20.442 GPRESSAVG: 4359600 32.6713 6.09742 6.78253 5.39665 1.77646 -10.3169 9.80365 -9.53173 19.1932 TIMING: 4359600 CPU: 13618.2, 0.00308134/step Wall: 13618.2, 0.00308134/step, 0.548137 hours remaining, 234.589844 MB of memory in use. ENERGY: 4359600 4060.7533 20576.4454 14493.9036 246.9737 -203506.4190 2767.3885 0.0000 0.0000 51916.0466 -109444.9078 298.3622 -161360.9545 -109089.5257 298.7457 37.9810 63.5224 761911.2928 17.9774 17.8803 PRESSURE: 4359800 -125.365 157.143 119.184 157.143 66.9882 103.228 119.184 103.228 143.677 GPRESSURE: 4359800 -8.46474 254.224 35.4214 92.7441 48.7784 51.7486 167.103 68.0895 145.19 PRESSAVG: 4359800 -7.66807 -18.5786 13.6084 -18.5787 27.6536 -30.8792 13.6084 -30.8791 -5.58849 GPRESSAVG: 4359800 -6.71673 -18.6382 14.4874 -20.0628 25.8838 -29.3996 14.0444 -31.3055 -4.86797 TIMING: 4359800 CPU: 13618.8, 0.00310848/step Wall: 13618.8, 0.00310848/step, 0.55279 hours remaining, 234.589844 MB of memory in use. ENERGY: 4359800 4000.5425 20266.4607 14501.0988 237.9943 -203174.7666 2691.2648 0.0000 0.0000 52041.2630 -109436.1426 299.0819 -161477.4055 -109084.5364 298.5776 28.4335 61.8346 761950.8620 4.7990 4.7664 PRESSURE: 4360000 81.3278 45.7208 20.3167 45.7209 168.07 12.4686 20.3172 12.4681 -32.0425 GPRESSURE: 4360000 84.6172 245.556 -19.8435 160.063 207.596 -38.8598 -78.6233 7.65483 10.9708 PRESSAVG: 4360000 10.2752 -22.5157 8.00315 -22.5157 12.6275 -51.5422 8.0032 -51.5423 -19.3516 GPRESSAVG: 4360000 10.2001 -23.7457 8.18913 -20.825 12.6189 -51.7492 8.59931 -50.4592 -19.275 TIMING: 4360000 CPU: 13619.5, 0.00310422/step Wall: 13619.5, 0.00310422/step, 0.551862 hours remaining, 234.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4360000 3988.5789 20397.0527 14453.1860 259.7495 -203317.9170 2835.8273 0.0000 0.0000 52020.1042 -109363.4183 298.9603 -161383.5226 -108998.5504 298.6919 72.4519 101.0612 762620.6343 1.1837 1.1813 PRESSURE: 4360200 -144.964 33.5954 12.9986 33.5949 -2.5249 -152.942 12.9984 -152.941 166.767 GPRESSURE: 4360200 -212.917 29.6479 5.52282 69.675 142.853 -108.902 -51.9172 -146.052 165.015 PRESSAVG: 4360200 -27.486 9.56444 54.6572 9.56445 5.49069 17.6456 54.6571 17.6456 3.53369 GPRESSAVG: 4360200 -28.3393 10.1355 54.4821 10.7978 6.49725 17.497 54.3094 19.8013 3.57684 TIMING: 4360200 CPU: 13620.1, 0.0030967/step Wall: 13620.1, 0.0030967/step, 0.550353 hours remaining, 234.589844 MB of memory in use. ENERGY: 4360200 3979.9509 20367.3485 14482.1080 248.8857 -203257.8182 2561.0650 0.0000 0.0000 52114.3743 -109504.0857 299.5020 -161618.4600 -109134.6212 298.5709 6.4260 31.6502 761356.9944 -6.1539 -6.0884 LDB: ============= START OF LOAD BALANCING ============== 13632.5 LDB: ============== END OF LOAD BALANCING =============== 13632.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13632.5 LDB: ============= START OF LOAD BALANCING ============== 13632.9 LDB: Largest compute 7028 load 0.030338 is 15.5% of average load 0.195253 LDB: Average compute 0.004397 is 2.3% of average load 0.195253 LDB: TIME 13632.9 LOAD: AVG 0.195253 MAX 0.214464 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.32 MB LDB: TIME 13632.9 LOAD: AVG 0.195253 MAX 0.214464 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.32 MB LDB: TIME 13632.9 LOAD: AVG 0.195253 MAX 0.214464 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.32 MB LDB: ============== END OF LOAD BALANCING =============== 13632.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13632.9 PRESSURE: 4360400 286.623 -52.7915 -72.5718 -52.7913 308.303 -158.973 -72.5708 -158.974 6.22638 GPRESSURE: 4360400 368.566 -19.2827 -98.004 -118.817 331.06 -231.784 -156.887 7.91007 -16.0673 PRESSAVG: 4360400 -37.1351 27.4191 11.9443 27.419 29.412 -25.8169 11.9444 -25.8169 -21.0172 GPRESSAVG: 4360400 -36.4482 26.23 10.2305 25.3547 28.8842 -25.8554 13.6042 -26.395 -21.4141 TIMING: 4360400 CPU: 13620.7, 0.0031622/step Wall: 13620.7, 0.0031622/step, 0.561818 hours remaining, 235.089844 MB of memory in use. ENERGY: 4360400 4004.3902 20395.8152 14503.9848 248.6858 -203169.1198 2579.2392 0.0000 0.0000 51925.3296 -109511.6750 298.4156 -161437.0046 -109160.1077 298.5110 200.3840 227.8529 760627.0088 -9.5801 -9.6593 PRESSURE: 4360600 -321.013 -65.7049 -93.7223 -65.705 57.3965 69.3809 -93.7231 69.3809 -122.933 GPRESSURE: 4360600 -278.872 -150.963 -90.1165 -35.2233 3.91289 -5.93229 -127.392 149.138 -30.1859 PRESSAVG: 4360600 -3.68348 -4.30954 -27.0411 -4.30958 43.8806 -37.6442 -27.0411 -37.6441 8.37388 GPRESSAVG: 4360600 -3.42608 -4.53555 -25.0433 -4.39598 42.5638 -39.0947 -28.0054 -38.9128 9.28372 TIMING: 4360600 CPU: 13621.3, 0.00308522/step Wall: 13621.3, 0.00308522/step, 0.54797 hours remaining, 235.417969 MB of memory in use. ENERGY: 4360600 4010.0091 20502.7707 14523.2462 247.2691 -203154.9272 2490.3821 0.0000 0.0000 51818.1137 -109563.1362 297.7994 -161381.2500 -109207.1263 297.9694 -128.8498 -101.7150 760874.1507 16.1903 16.1405 PRESSURE: 4360800 -190.845 -126.472 -108.279 -126.473 -120.044 -127.856 -108.28 -127.856 -67.6284 GPRESSURE: 4360800 -271.493 -6.23847 -90.4251 8.3892 42.8177 -175.868 -96.5349 -10.8564 -62.1173 PRESSAVG: 4360800 -70.4898 -25.0875 8.73891 -25.0874 42.4988 51.9743 8.73896 51.9743 12.4697 GPRESSAVG: 4360800 -70.7588 -23.0545 8.86004 -24.2425 42.8669 54.0405 7.84754 51.7896 12.5298 TIMING: 4360800 CPU: 13621.9, 0.00309562/step Wall: 13621.9, 0.00309562/step, 0.549645 hours remaining, 235.429688 MB of memory in use. ENERGY: 4360800 4024.3143 20493.6857 14501.1609 256.3774 -203149.8312 2643.5177 0.0000 0.0000 51543.0931 -109687.6821 296.2189 -161230.7752 -109334.9928 298.2969 -126.1724 -96.9310 763585.7374 -5.1738 -5.1207 PRESSURE: 4361000 299.239 -159.665 -28.1894 -159.665 17.9511 -257.369 -28.1896 -257.367 325.704 GPRESSURE: 4361000 268.161 -106.444 -75.9399 -225.775 129.333 -328.669 -24.375 -304.362 325.917 PRESSAVG: 4361000 15.8656 -38.3528 17.9743 -38.3528 -3.48498 -3.79618 17.9743 -3.79619 22.4817 GPRESSAVG: 4361000 15.4025 -38.9623 17.9834 -38.3263 -1.79029 -3.28553 16.5984 -4.96183 21.4136 TIMING: 4361000 CPU: 13622.6, 0.00308986/step Wall: 13622.6, 0.00308986/step, 0.54845 hours remaining, 235.429688 MB of memory in use. ENERGY: 4361000 4000.6894 20663.4754 14449.9056 237.2898 -203482.5889 2807.4141 0.0000 0.0000 51768.6703 -109555.1444 297.5153 -161323.8147 -109200.9740 298.2631 214.2980 241.1370 762166.2531 11.6208 11.6753 PRESSURE: 4361200 -499.613 -54.8804 -154.957 -54.8815 45.6876 -130.298 -154.957 -130.297 269.926 GPRESSURE: 4361200 -352.358 -140.321 -97.8388 -53.6003 8.45172 -151.794 -111.079 -103.968 221.791 PRESSAVG: 4361200 -16.7025 -14.4466 -34.3936 -14.4466 -0.0499553 -38.7348 -34.3936 -38.7348 -14.786 GPRESSAVG: 4361200 -15.8514 -13.9153 -34.8338 -14.9392 -2.33106 -39.9557 -32.8135 -38.7972 -13.9384 TIMING: 4361200 CPU: 13623.2, 0.00309056/step Wall: 13623.2, 0.00309056/step, 0.548402 hours remaining, 235.429688 MB of memory in use. ENERGY: 4361200 3974.9901 20568.3433 14447.9097 239.1963 -203463.9220 2568.4418 0.0000 0.0000 51994.5955 -109670.4453 298.8137 -161665.0408 -109305.9623 298.4865 -61.3332 -40.7052 762668.5980 -10.5128 -10.7070 PRESSURE: 4361400 -164.271 -132.86 89.7815 -132.86 232.894 100.683 89.7816 100.684 -157.2 GPRESSURE: 4361400 9.52239 -86.0583 99.3296 -98.1318 141.142 54.4311 157.534 197.01 -166.563 PRESSAVG: 4361400 -44.9629 24.0952 30.4041 24.0952 31.1233 28.5467 30.4042 28.5467 -5.1463 GPRESSAVG: 4361400 -45.3773 22.1729 30.7769 25.1309 32.0326 28.61 29.2063 29.1373 -5.7231 TIMING: 4361400 CPU: 13623.8, 0.00309963/step Wall: 13623.8, 0.00309964/step, 0.549841 hours remaining, 235.429688 MB of memory in use. ENERGY: 4361400 4000.7667 20573.0669 14528.8864 252.3924 -203569.7693 2730.5511 0.0000 0.0000 51850.8158 -109633.2900 297.9874 -161484.1058 -109276.2548 298.1959 -29.5253 -5.2995 760798.2208 -6.3287 -6.3559 PRESSURE: 4361600 102.266 42.918 -34.1491 42.9177 167.814 -93.4486 -34.1493 -93.4474 -215.554 GPRESSURE: 4361600 149.625 23.1104 -54.8858 97.8794 176.69 -1.9332 -91.914 -129.072 -184.067 PRESSAVG: 4361600 3.5979 -8.72367 36.8174 -8.72368 -6.87607 28.8271 36.8175 28.8271 -0.94953 GPRESSAVG: 4361600 2.96942 -8.61163 37.6883 -10.8471 -5.81959 29.7086 36.5951 27.1471 -1.46581 TIMING: 4361600 CPU: 13624.4, 0.00310198/step Wall: 13624.4, 0.00310198/step, 0.550085 hours remaining, 235.429688 MB of memory in use. ENERGY: 4361600 4076.9514 20348.6448 14464.9640 250.2766 -203560.2422 2715.4666 0.0000 0.0000 52019.9198 -109684.0190 298.9592 -161703.9388 -109311.8233 298.5000 18.1755 47.4159 761642.3678 -1.4092 -1.4387 PRESSURE: 4361800 282.148 -40.1848 -111.479 -40.1842 -152.83 140.525 -111.479 140.526 -35.5635 GPRESSURE: 4361800 316.753 -3.98526 -93.0433 -48.5564 -47.0141 141.094 -12.7716 196.861 -83.4403 PRESSAVG: 4361800 -35.2835 -21.2486 -53.2889 -21.2485 37.3562 -2.26231 -53.289 -2.26239 1.01864 GPRESSAVG: 4361800 -34.0864 -19.8017 -52.9649 -20.841 36.4898 -5.51404 -52.9275 2.16238 0.789354 TIMING: 4361800 CPU: 13625, 0.00310934/step Wall: 13625, 0.00310934/step, 0.551217 hours remaining, 235.429688 MB of memory in use. ENERGY: 4361800 3966.4122 20566.1785 14354.6544 256.0264 -203784.9462 2987.8579 0.0000 0.0000 52043.2981 -109610.5186 299.0935 -161653.8167 -109253.9577 298.4795 31.2515 62.0996 761791.7578 1.0304 1.0643 PRESSURE: 4362000 -495.649 81.0709 -119.979 81.0708 -485.582 31.5433 -119.979 31.5435 -56.2184 GPRESSURE: 4362000 -340.551 94.0081 -157.842 97.8526 -442.982 -2.61407 -269.856 42.136 -183.986 PRESSAVG: 4362000 -65.1857 -4.77417 12.2356 -4.77418 38.3323 31.7132 12.2356 31.7133 10.7129 GPRESSAVG: 4362000 -65.3495 -5.66751 9.81061 -4.66681 38.5146 32.4603 13.3046 29.8951 10.6482 TIMING: 4362000 CPU: 13625.7, 0.00310407/step Wall: 13625.7, 0.00310407/step, 0.55011 hours remaining, 235.429688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4362000 3941.8643 20452.3102 14480.9614 236.7382 -203231.3694 2410.6557 0.0000 0.0000 52225.6856 -109483.1540 300.1417 -161708.8396 -109104.0121 298.7719 -345.8164 -322.5063 761517.5216 -5.3802 -5.3956 PRESSURE: 4362200 60.8132 -59.3375 -22.8883 -59.337 203.184 75.575 -22.8881 75.5765 107.921 GPRESSURE: 4362200 81.3356 -30.738 -45.5577 -66.8532 242.203 119.883 -15.3927 -11.9923 137.35 PRESSAVG: 4362200 -48.3305 -20.6628 -14.314 -20.6628 57.8565 57.0008 -14.314 57.0008 2.92145 GPRESSAVG: 4362200 -49.6738 -19.551 -11.6891 -19.8685 58.4704 57.0301 -14.7504 56.3995 3.74337 TIMING: 4362200 CPU: 13626.3, 0.00310763/step Wall: 13626.3, 0.00310763/step, 0.550568 hours remaining, 235.429688 MB of memory in use. ENERGY: 4362200 3972.5363 20466.2569 14487.4189 263.1823 -203442.7720 2760.3760 0.0000 0.0000 51952.0435 -109540.9580 298.5691 -161493.0016 -109179.1001 298.9186 123.9727 153.6293 760731.8113 4.1491 4.1800 PRESSURE: 4362400 44.667 -260.4 -1.54112 -260.4 -137.518 -11.2744 -1.5409 -11.2744 -26.0952 GPRESSURE: 4362400 30.9073 -154.23 -136.181 -198.016 -108.382 3.7245 55.1713 -28.2734 36.7995 PRESSAVG: 4362400 -33.3968 -9.00533 -11.619 -9.00528 34.047 -7.13986 -11.619 -7.13982 9.2373 GPRESSAVG: 4362400 -32.6029 -8.93608 -11.6874 -7.36391 33.7491 -5.60989 -10.7567 -6.48925 8.9166 TIMING: 4362400 CPU: 13626.9, 0.00309402/step Wall: 13626.9, 0.00309402/step, 0.547985 hours remaining, 235.429688 MB of memory in use. ENERGY: 4362400 4032.4859 20490.0862 14451.6306 245.1185 -203570.6757 2774.5503 0.0000 0.0000 52123.7207 -109453.0836 299.5557 -161576.8043 -109083.1546 298.9634 -39.6488 -13.5583 762162.6001 3.2958 3.3543 PRESSURE: 4362600 -63.6125 -136.496 128.923 -136.495 -279.6 -47.9099 128.925 -47.9091 -339.519 GPRESSURE: 4362600 -38.6271 -160.745 86.7778 -202.502 -240.131 -180.182 122.802 43.5994 -300.215 PRESSAVG: 4362600 -14.6536 -35.5409 -14.6566 -35.5408 18.0714 -28.9313 -14.6565 -28.9313 -10.2955 GPRESSAVG: 4362600 -13.8688 -36.6624 -14.8838 -35.4007 17.3123 -30.8693 -15.6934 -29.066 -10.2672 TIMING: 4362600 CPU: 13627.5, 0.00310408/step Wall: 13627.5, 0.00310408/step, 0.549594 hours remaining, 235.429688 MB of memory in use. ENERGY: 4362600 4028.3897 20712.4157 14531.6146 241.7874 -203303.3202 2425.2596 0.0000 0.0000 51970.2375 -109393.6158 298.6737 -161363.8532 -109044.2081 298.9329 -227.5774 -192.9909 761381.6982 -2.2926 -2.2746 PRESSURE: 4362800 134.712 139.826 208.66 139.827 -212.991 3.98623 208.661 3.98674 -217.928 GPRESSURE: 4362800 149.593 229.872 201.315 70.4186 -204.326 77.9284 212.038 -76.4168 -161.061 PRESSAVG: 4362800 8.57617 -30.8753 23.5082 -30.8753 -38.8564 -55.9507 23.5082 -55.9507 -28.2312 GPRESSAVG: 4362800 7.43706 -28.006 22.798 -32.3287 -38.1593 -53.603 25.6022 -56.6282 -27.9802 TIMING: 4362800 CPU: 13628.1, 0.00310999/step Wall: 13628.1, 0.00310999/step, 0.550467 hours remaining, 235.429688 MB of memory in use. ENERGY: 4362800 3961.8943 20583.9487 14425.0057 251.1225 -203374.7297 2499.9057 0.0000 0.0000 52259.1166 -109393.7362 300.3339 -161652.8529 -109026.2162 299.3111 -98.7355 -71.9313 762741.6420 -19.5038 -19.5675 PRESSURE: 4363000 -309.246 -8.90572 -33.3278 -8.90514 -17.558 -26.8827 -33.3275 -26.8824 66.8581 GPRESSURE: 4363000 -207.586 4.41706 -90.0459 12.5959 -84.7148 -53.866 -24.2911 -7.27305 110.279 PRESSAVG: 4363000 2.19813 -42.2178 11.9143 -42.2178 2.98544 -53.8595 11.9143 -53.8594 -10.7664 GPRESSAVG: 4363000 3.80432 -44.0761 11.5972 -43.5105 1.2996 -54.9257 10.6488 -53.0059 -10.9175 TIMING: 4363000 CPU: 13628.8, 0.0031116/step Wall: 13628.8, 0.0031116/step, 0.550581 hours remaining, 235.429688 MB of memory in use. ENERGY: 4363000 3999.8302 20505.8852 14494.1791 236.1297 -203392.4935 2706.4084 0.0000 0.0000 52178.2414 -109271.8195 299.8691 -161450.0609 -108913.1798 299.5951 -86.6485 -60.6739 762920.3459 -1.8609 -1.9379 PRESSURE: 4363200 -227.531 32.1559 -64.7993 32.156 -10.9828 213.587 -64.7996 213.588 -19.1597 GPRESSURE: 4363200 -168.783 -87.958 -172.938 -52.8058 8.77779 115.228 -87.8933 118.041 -12.3019 PRESSAVG: 4363200 -27.1005 -5.8511 4.0526 -5.85115 18.6277 -0.888936 4.05263 -0.88901 16.3052 GPRESSAVG: 4363200 -28.9592 -6.77953 3.25548 -5.38269 20.7419 0.490147 4.62808 -2.72867 15.5881 TIMING: 4363200 CPU: 13629.4, 0.00311196/step Wall: 13629.4, 0.00311196/step, 0.550471 hours remaining, 235.429688 MB of memory in use. ENERGY: 4363200 4019.9450 20626.6798 14491.3425 249.9121 -202842.7172 2417.9296 0.0000 0.0000 51874.0395 -109162.8687 298.1208 -161036.9082 -108800.1474 299.1742 -85.8910 -57.4357 762918.4442 2.6108 2.4569 PRESSURE: 4363400 393.683 -15.3937 133.07 -15.3939 541.37 -9.24318 133.07 -9.24388 -274.068 GPRESSURE: 4363400 478.722 -13.9608 44.3587 -10.6391 499.983 49.7538 220.577 13.1839 -236.506 PRESSAVG: 4363400 -9.3319 -68.9522 2.34623 -68.9522 23.4015 35.9878 2.34617 35.9878 -1.60223 GPRESSAVG: 4363400 -8.25947 -66.3502 2.11551 -67.7165 21.5263 36.4973 2.86033 36.48 -0.847613 TIMING: 4363400 CPU: 13630, 0.00312003/step Wall: 13630, 0.00312003/step, 0.551725 hours remaining, 235.429688 MB of memory in use. ENERGY: 4363400 4001.5410 20631.0126 14442.1586 259.1227 -203247.2224 2727.7402 0.0000 0.0000 52053.8261 -109131.8212 299.1541 -161185.6474 -108761.1215 299.0965 220.3283 247.3994 760893.0919 4.1558 4.1397 PRESSURE: 4363600 -182.944 88.2732 324.8 88.2728 -125.131 336.854 324.799 336.854 -30.9439 GPRESSURE: 4363600 -173.709 92.8462 259.549 126.638 -28.581 298.137 351.678 198.671 -24.6688 PRESSAVG: 4363600 -8.83782 -8.73811 34.8867 -8.73819 0.855687 28.3762 34.8867 28.3762 10.6115 GPRESSAVG: 4363600 -9.7972 -10.207 36.4557 -11.4801 1.82413 25.9568 35.4721 28.6518 10.5333 TIMING: 4363600 CPU: 13630.6, 0.00309996/step Wall: 13630.6, 0.00309996/step, 0.548003 hours remaining, 235.429688 MB of memory in use. ENERGY: 4363600 4009.0991 20553.8834 14479.8012 251.2177 -203188.9881 2675.6161 0.0000 0.0000 52141.9995 -109077.3712 299.6608 -161219.3707 -108711.3313 299.3221 -113.0064 -75.6529 763369.9438 0.8765 0.8534 PRESSURE: 4363800 101.332 -79.0833 79.6764 -79.0826 213.633 -44.6958 79.6761 -44.696 314.289 GPRESSURE: 4363800 30.2652 -150.223 154.51 39.655 255.059 -59.034 106.966 -56.6299 425.164 PRESSAVG: 4363800 23.3053 -54.2453 -1.97344 -54.2454 -17.1981 12.6405 -1.97346 12.6405 -3.2484 GPRESSAVG: 4363800 22.7418 -53.6163 0.665732 -53.2346 -17.5675 12.5069 -2.13194 13.5592 -1.81965 TIMING: 4363800 CPU: 13631.3, 0.00311793/step Wall: 13631.3, 0.00311793/step, 0.551007 hours remaining, 235.429688 MB of memory in use. ENERGY: 4363800 3988.4365 20588.9799 14534.6424 237.2400 -203182.6020 2760.5080 0.0000 0.0000 52130.4153 -108942.3799 299.5942 -161072.7952 -108592.0373 300.0125 209.7515 236.8295 760980.8366 0.9529 1.1182 PRESSURE: 4364000 6.60555 -87.7208 -137.249 -87.722 82.3227 7.54087 -137.25 7.54093 -216.109 GPRESSURE: 4364000 -24.5356 -76.8024 -140.898 -92.7932 166.126 72.5996 -153.609 159.583 -186.32 PRESSAVG: 4364000 4.9277 14.9451 -43.5875 14.9451 11.112 22.5721 -43.5875 22.5721 0.179844 GPRESSAVG: 4364000 6.15258 14.3773 -45.5413 16.5668 11.5384 24.9792 -42.9129 21.9852 -1.56754 TIMING: 4364000 CPU: 13631.9, 0.00310075/step Wall: 13631.9, 0.00310075/step, 0.5478 hours remaining, 235.429688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4364000 3880.4401 20552.5569 14415.6580 226.7009 -202848.6773 2483.8078 0.0000 0.0000 52119.3725 -109170.1411 299.5308 -161289.5137 -108802.8625 299.8851 -42.3934 -14.9099 762581.8752 5.4065 5.3745 PRESSURE: 4364200 203.812 52.8965 157.645 52.8965 93.5344 61.6517 157.645 61.6524 31.0293 GPRESSURE: 4364200 302.542 -15.1258 72.8449 51.0701 156.003 45.1064 170.944 34.3839 -43.7213 PRESSAVG: 4364200 44.5989 11.6731 0.193591 11.673 8.67287 30.5291 0.193596 30.5291 14.1391 GPRESSAVG: 4364200 44.8635 10.9001 0.320791 10.3902 8.21714 29.8814 -1.50142 29.7217 13.8978 TIMING: 4364200 CPU: 13632.5, 0.00310217/step Wall: 13632.5, 0.00310217/step, 0.547878 hours remaining, 235.429688 MB of memory in use. ENERGY: 4364200 4029.6790 20446.4044 14474.9393 250.7135 -203241.8568 2651.7899 0.0000 0.0000 52090.6383 -109297.6922 299.3656 -161388.3306 -108944.3916 299.4560 109.4586 138.2747 759310.5444 22.4703 22.3261 LDB: ============= START OF LOAD BALANCING ============== 13645 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13645 LDB: =============== DONE WITH MIGRATION ================ 13645 LDB: ============= START OF LOAD BALANCING ============== 13645.3 LDB: Largest compute 7029 load 0.030141 is 15.4% of average load 0.195274 LDB: Average compute 0.004408 is 2.3% of average load 0.195274 LDB: TIME 13645.3 LOAD: AVG 0.195274 MAX 0.213669 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.645 MB LDB: TIME 13645.3 LOAD: AVG 0.195274 MAX 0.213669 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.645 MB LDB: TIME 13645.3 LOAD: AVG 0.195274 MAX 0.213669 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.645 MB LDB: ============== END OF LOAD BALANCING =============== 13645.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13645.3 PRESSURE: 4364400 -249.399 20.7525 -64.2217 20.7526 -184.434 -1.3317 -64.222 -1.33207 -84.7083 GPRESSURE: 4364400 -288.722 112.278 -164.651 -16.7561 -80.464 -41.6716 -39.9695 -78.6786 -69.6693 PRESSAVG: 4364400 25.9758 -47.7319 31.2344 -47.7319 -3.32587 17.043 31.2344 17.043 19.1525 GPRESSAVG: 4364400 25.2574 -44.7436 29.45 -48.0911 -2.95863 16.9374 33.0669 18.6335 19.7864 TIMING: 4364400 CPU: 13633.1, 0.00315591/step Wall: 13633.1, 0.00315591/step, 0.557194 hours remaining, 234.644531 MB of memory in use. ENERGY: 4364400 4043.8520 20453.3914 14412.1436 235.9453 -202533.7804 2118.6076 0.0000 0.0000 51936.5259 -109333.3146 298.4799 -161269.8405 -108969.7685 299.2825 -172.8472 -146.2850 762109.3643 13.9341 14.0284 PRESSURE: 4364600 -140.302 76.9207 54.3191 76.9205 -418.144 126.156 54.3198 126.154 -0.200283 GPRESSURE: 4364600 -190.77 163.16 83.2621 64.8462 -332.155 105.496 154.135 95.2769 33.2912 PRESSAVG: 4364600 -1.19519 -8.02917 17.6979 -8.02919 -8.16994 -38.0336 17.6979 -38.0336 -5.34941 GPRESSAVG: 4364600 -0.813012 -9.63355 19.4307 -5.98831 -8.97609 -39.3576 17.9933 -39.0967 -5.00478 TIMING: 4364600 CPU: 13633.7, 0.00308207/step Wall: 13633.7, 0.00308207/step, 0.543985 hours remaining, 234.906250 MB of memory in use. ENERGY: 4364600 3937.1048 20454.8293 14429.3866 268.4267 -203175.5235 2476.9082 0.0000 0.0000 52269.8840 -109338.9840 300.3957 -161608.8680 -108977.2486 299.2813 -186.2156 -163.2115 762131.4715 -4.9048 -4.9313 PRESSURE: 4364800 86.1678 130.802 4.55937 130.801 -332.109 -201.518 4.56024 -201.519 -48.9349 GPRESSURE: 4364800 117.058 82.8477 -43.1623 134.746 -210.752 -197.421 48.812 -190.581 -120.334 PRESSAVG: 4364800 13.9922 4.63087 -1.77083 4.6309 -33.7837 -3.97357 -1.77083 -3.97361 13.7856 GPRESSAVG: 4364800 13.6847 4.55428 -1.71294 3.42313 -31.8237 -3.37271 -3.71037 -3.10714 12.9086 TIMING: 4364800 CPU: 13634.4, 0.00311517/step Wall: 13634.4, 0.00311517/step, 0.549654 hours remaining, 234.917969 MB of memory in use. ENERGY: 4364800 3955.4758 20630.7312 14343.2909 246.5243 -203058.0946 2442.3786 0.0000 0.0000 51797.2699 -109642.4239 297.6796 -161439.6938 -109288.9909 299.4355 -98.2921 -71.3427 761833.9439 -2.0020 -1.7435 PRESSURE: 4365000 88.5027 -132.345 167.609 -132.345 -124.829 2.23686 167.61 2.23718 -12.9917 GPRESSURE: 4365000 104.198 -58.6735 95.0934 -219 -146.635 -15.1019 228.361 52.0918 59.812 PRESSAVG: 4365000 -57.9685 -0.371604 -10.0152 -0.371532 28.0725 -10.6922 -10.0152 -10.6923 -0.340671 GPRESSAVG: 4365000 -57.2187 -0.552825 -10.5962 -1.45951 26.5159 -8.93123 -9.32612 -11.0163 0.594079 TIMING: 4365000 CPU: 13635, 0.00311096/step Wall: 13635, 0.00311096/step, 0.548738 hours remaining, 234.917969 MB of memory in use. ENERGY: 4365000 4020.6065 20639.1320 14497.0769 232.8958 -203578.5540 2762.5424 0.0000 0.0000 51727.7483 -109698.5521 297.2801 -161426.3004 -109347.0858 298.9258 -16.4392 5.7916 762796.6192 -10.0789 -10.0362 PRESSURE: 4365200 159.226 -115.063 95.7174 -115.063 34.8099 101.492 95.7169 101.493 524.015 GPRESSURE: 4365200 186.522 1.3311 37.1951 -68.1837 89.2339 77.6774 116.909 144.362 528.21 PRESSAVG: 4365200 -15.6614 -5.60473 20.8449 -5.60475 22.1926 -11.9142 20.8449 -11.9141 4.28297 GPRESSAVG: 4365200 -15.8703 -3.76525 21.9993 -3.75289 22.2048 -12.2614 20.6292 -11.4696 4.81175 TIMING: 4365200 CPU: 13635.6, 0.00311959/step Wall: 13635.6, 0.00311959/step, 0.550087 hours remaining, 234.917969 MB of memory in use. ENERGY: 4365200 3958.4660 20545.3169 14445.7259 255.2611 -203626.3620 2975.7469 0.0000 0.0000 51859.3416 -109586.5036 298.0363 -161445.8451 -109229.6594 298.2631 239.3501 267.9885 759875.9615 3.6047 3.7154 PRESSURE: 4365400 -423.464 26.8917 136.301 26.8906 -96.8713 -101.188 136.301 -101.189 182.581 GPRESSURE: 4365400 -410.839 31.8701 64.9805 39.4843 -13.7645 -72.3306 139.45 -211.21 190.838 PRESSAVG: 4365400 0.874974 18.9488 15.0166 18.9488 28.0934 15.6709 15.0167 15.6709 3.03569 GPRESSAVG: 4365400 0.254601 18.4403 14.3645 18.6507 29.4974 13.191 14.8602 14.1611 2.4536 TIMING: 4365400 CPU: 13636.2, 0.00310632/step Wall: 13636.2, 0.00310632/step, 0.547575 hours remaining, 234.917969 MB of memory in use. ENERGY: 4365400 4013.8380 20409.9198 14510.8877 260.3966 -203379.5776 2917.0194 0.0000 0.0000 51916.8278 -109350.6883 298.3667 -161267.5161 -108992.5756 298.9762 -112.5849 -77.9217 763325.8531 10.6680 10.7352 PRESSURE: 4365600 -184.87 166.276 -105.086 166.276 -59.9681 -142.283 -105.087 -142.282 -166.201 GPRESSURE: 4365600 -109.078 133.635 -149.304 199.603 -66.0901 -146.695 -119.311 -14.2703 -165.417 PRESSAVG: 4365600 -10.4463 30.566 -39.214 30.566 74.079 -55.116 -39.214 -55.1159 20.2014 GPRESSAVG: 4365600 -9.33708 29.9487 -41.3058 32.9892 72.1668 -52.2471 -38.2777 -53.9015 20.7215 TIMING: 4365600 CPU: 13636.9, 0.00310029/step Wall: 13636.9, 0.00310029/step, 0.546339 hours remaining, 234.917969 MB of memory in use. ENERGY: 4365600 3953.9170 20576.4418 14496.0110 257.2109 -203537.2171 2727.5836 0.0000 0.0000 52111.3220 -109414.7307 299.4845 -161526.0527 -109056.8811 298.8754 -137.0131 -113.5284 763567.9546 27.9447 27.8504 PRESSURE: 4365800 70.5459 117.022 118.031 117.022 57.436 151.042 118.032 151.043 -354.946 GPRESSURE: 4365800 8.27069 64.3063 100.453 -14.8141 98.1292 169.775 86.6002 133.107 -258.747 PRESSAVG: 4365800 -11.1993 -34.4723 39.8257 -34.4723 3.98602 57.3972 39.8257 57.3973 0.369433 GPRESSAVG: 4365800 -12.2298 -36.69 40.6159 -36.8913 5.11354 57.0522 39.3952 57.9409 -0.034662 TIMING: 4365800 CPU: 13637.5, 0.00310583/step Wall: 13637.5, 0.00310583/step, 0.547143 hours remaining, 234.917969 MB of memory in use. ENERGY: 4365800 4091.8835 20578.9415 14465.0961 252.0407 -203221.0667 2612.7782 0.0000 0.0000 52119.6131 -109100.7136 299.5321 -161220.3267 -108752.2094 299.5208 -75.6547 -50.7824 762570.5435 -2.2813 -2.3836 PRESSURE: 4366000 -36.4414 -192.259 -83.3416 -192.26 96.4612 28.7235 -83.3421 28.7239 317.704 GPRESSURE: 4366000 -11.6409 -130.012 -25.5396 -134.339 83.7991 172.922 -7.84625 241.813 370.889 PRESSAVG: 4366000 -33.9421 -11.5423 -20.4126 -11.5422 -13.144 29.4215 -20.4126 29.4215 8.47035 GPRESSAVG: 4366000 -32.6007 -10.2446 -17.3204 -12.4994 -13.079 29.158 -21.4092 27.5176 7.40591 TIMING: 4366000 CPU: 13638.1, 0.00311059/step Wall: 13638.1, 0.00311059/step, 0.547809 hours remaining, 234.917969 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: 4366000 3956.1471 20506.2566 14481.5904 241.1686 -203086.4076 2805.7735 0.0000 0.0000 51908.9370 -109186.5344 298.3214 -161095.4714 -108826.7651 299.6168 125.9080 147.6823 764117.9632 -12.8719 -12.7579 PRESSURE: 4366200 81.7102 -44.47 470.866 -44.4705 -10.671 -122.564 470.867 -122.563 -178.104 GPRESSURE: 4366200 31.4011 97.2206 395.435 10.053 96.1382 -22.3523 520.33 -82.4217 -131.613 PRESSAVG: 4366200 -21.514 -26.2983 5.9888 -26.2983 57.087 19.1929 5.98883 19.1929 -11.2751 GPRESSAVG: 4366200 -22.3021 -23.2118 5.07139 -25.7374 56.5562 19.4518 6.62937 19.5432 -10.1878 TIMING: 4366200 CPU: 13638.7, 0.00310528/step Wall: 13638.7, 0.00310528/step, 0.546702 hours remaining, 234.917969 MB of memory in use. ENERGY: 4366200 4021.2410 20585.9262 14417.4997 251.5377 -203254.6884 2738.7289 0.0000 0.0000 52082.5854 -109157.1694 299.3193 -161239.7548 -108792.9800 299.2644 -35.6883 -1.3577 762954.2677 8.0993 8.0221 PRESSURE: 4366400 -271.836 -83.5444 -34.19 -83.5436 -121.461 133.215 -34.1904 133.215 -262.735 GPRESSURE: 4366400 -243.804 -48.427 -82.5327 -47.0109 3.24846 147.771 -63.471 -138.797 -312.282 PRESSAVG: 4366400 -28.1865 25.9285 -12.9122 25.9286 13.9127 -30.978 -12.9123 -30.9779 8.10355 GPRESSAVG: 4366400 -26.5518 22.715 -13.8022 27.1292 13.2918 -31.6036 -14.0582 -31.9452 7.48758 TIMING: 4366400 CPU: 13639.3, 0.00309439/step Wall: 13639.3, 0.00309439/step, 0.544612 hours remaining, 234.917969 MB of memory in use. ENERGY: 4366400 4096.7873 20444.4892 14484.8623 248.4989 -202944.9479 2464.4416 0.0000 0.0000 52089.5355 -109116.3332 299.3593 -161205.8687 -108750.7824 299.6626 -218.6774 -184.2792 762458.7995 -2.0567 -1.9242 PRESSURE: 4366600 195.872 -112.973 -168.708 -112.972 67.0932 59.764 -168.708 59.7634 171.412 GPRESSURE: 4366600 259.132 -208.55 -104.045 -89.4322 103.969 60.3947 -70.4507 8.442 150.107 PRESSAVG: 4366600 -1.94242 31.5051 -12.5996 31.5051 -1.72665 12.3094 -12.5996 12.3094 -5.26233 GPRESSAVG: 4366600 -3.0168 31.6504 -12.6675 32.5207 -1.65167 12.7724 -11.8348 13.389 -4.59584 TIMING: 4366600 CPU: 13640, 0.00309857/step Wall: 13640, 0.00309857/step, 0.545175 hours remaining, 234.917969 MB of memory in use. ENERGY: 4366600 3918.8746 20689.6476 14464.3227 244.8604 -203238.6274 2768.4771 0.0000 0.0000 51878.3543 -109274.0906 298.1456 -161152.4449 -108925.4983 299.0330 144.7922 171.0695 762746.1775 -2.9771 -3.0881 PRESSURE: 4366800 -125.402 57.486 -51.5615 57.4866 -29.9014 -53.0013 -51.5622 -53.0009 107.04 GPRESSURE: 4366800 -117.832 -31.9683 -75.2669 176.289 57.4322 32.5226 51.6811 23.0587 97.1372 PRESSAVG: 4366800 -1.27793 -19.8761 -4.70729 -19.8761 44.0849 23.1318 -4.7073 23.1318 -5.32272 GPRESSAVG: 4366800 -2.00682 -22.1157 -4.11635 -19.8843 44.411 23.176 -5.82949 19.8137 -4.97911 TIMING: 4366800 CPU: 13640.6, 0.00310655/step Wall: 13640.6, 0.00310655/step, 0.546407 hours remaining, 234.917969 MB of memory in use. ENERGY: 4366800 3945.3267 20513.3706 14413.6812 229.7163 -203305.5908 2789.1068 0.0000 0.0000 52004.7648 -109409.6244 298.8721 -161414.3892 -109045.3279 298.9852 -16.0879 12.2457 761476.7013 12.4947 12.4750 PRESSURE: 4367000 46.653 -55.1272 124.773 -55.1266 -19.6756 -20.1527 124.773 -20.1529 -22.8678 GPRESSURE: 4367000 70.6142 -6.50726 69.3714 -14.9285 -8.49922 10.0891 25.5163 -33.1103 3.48991 PRESSAVG: 4367000 -42.3482 -3.77259 5.19715 -3.77264 79.1609 7.98495 5.19717 7.98502 17.4973 GPRESSAVG: 4367000 -41.673 -1.49898 4.54343 -4.71924 78.7542 9.02245 6.97707 9.93781 16.5755 TIMING: 4367000 CPU: 13641.2, 0.00310588/step Wall: 13641.2, 0.00310588/step, 0.546118 hours remaining, 234.917969 MB of memory in use. ENERGY: 4367000 4017.4700 20486.1965 14476.1156 244.9856 -203491.4820 2980.0492 0.0000 0.0000 51806.8908 -109479.7742 297.7349 -161286.6650 -109121.7732 298.8163 1.3699 21.8683 760739.4465 18.1033 17.8856 PRESSURE: 4367200 48.6248 -188.067 128.851 -188.068 245.357 103.956 128.852 103.957 240.505 GPRESSURE: 4367200 111.083 -137.888 84.3114 -276.473 296.604 86.5559 58.5533 142.3 222.835 PRESSAVG: 4367200 -22.5829 -28.0893 31.4558 -28.0893 58.7743 -11.2427 31.4558 -11.2427 7.90274 GPRESSAVG: 4367200 -23.237 -29.103 29.4621 -28.0237 59.4234 -11.2194 32.1725 -11.6037 7.99378 TIMING: 4367200 CPU: 13641.8, 0.00312126/step Wall: 13641.8, 0.00312126/step, 0.548648 hours remaining, 234.917969 MB of memory in use. ENERGY: 4367200 3944.2941 20569.2348 14437.8241 227.2465 -203194.7849 2641.3816 0.0000 0.0000 52122.6505 -109252.1533 299.5496 -161374.8038 -108887.7319 299.1291 178.1622 210.1739 762701.2615 14.6980 14.7267 PRESSURE: 4367400 252.913 -140.617 32.2921 -140.616 198.237 91.6642 32.2913 91.6648 133.507 GPRESSURE: 4367400 300.326 -188.741 -26.8043 -26.7305 131.227 124.018 81.839 34.636 231.763 PRESSAVG: 4367400 -44.5866 -63.7841 0.54506 -63.7841 73.8581 -36.5808 0.545002 -36.5807 -26.1917 GPRESSAVG: 4367400 -44.1741 -63.7168 2.76345 -62.9339 73.0706 -38.2255 -0.202934 -36.5078 -26.2231 TIMING: 4367400 CPU: 13642.4, 0.00310704/step Wall: 13642.4, 0.00310704/step, 0.545976 hours remaining, 234.917969 MB of memory in use. ENERGY: 4367400 3969.0899 20607.4558 14495.5284 247.7202 -203514.9473 2846.6678 0.0000 0.0000 52381.5830 -108966.9022 301.0377 -161348.4852 -108596.8325 300.1914 194.8856 221.1055 761031.4841 1.0266 0.8911 PRESSURE: 4367600 60.1794 184.942 134.591 184.942 166.755 -308.628 134.591 -308.628 490.762 GPRESSURE: 4367600 94.8779 89.0663 179.474 207.988 216.814 -328.388 117.303 -262.443 504.334 PRESSAVG: 4367600 -32.6211 -56.1456 -2.45658 -56.1456 11.9706 24.4216 -2.45659 24.4216 -9.46853 GPRESSAVG: 4367600 -32.5437 -57.1564 -1.23073 -58.6064 12.4084 23.7764 -5.34927 27.8338 -9.35743 TIMING: 4367600 CPU: 13643.1, 0.00309671/step Wall: 13643.1, 0.00309671/step, 0.543989 hours remaining, 234.917969 MB of memory in use. ENERGY: 4367600 4028.3417 20626.0752 14444.6409 248.9055 -203512.7704 3074.5381 0.0000 0.0000 52008.6767 -109081.5923 298.8946 -161090.2690 -108722.5331 299.6230 239.2323 272.0088 763599.2635 -10.0397 -9.8309 PRESSURE: 4367800 -55.4821 -115.355 -151.957 -115.355 -236.709 108.777 -151.958 108.777 -407.052 GPRESSURE: 4367800 -136.626 57.6899 -102.783 -81.5872 -127.47 171.7 -247.29 22.2555 -350.722 PRESSAVG: 4367800 -4.36505 25.3157 -26.7396 25.3156 55.6014 20.0528 -26.7397 20.0529 24.1056 GPRESSAVG: 4367800 -4.52477 27.3394 -29.7228 26.6684 56.3523 19.5232 -25.8396 17.2042 23.487 TIMING: 4367800 CPU: 13643.7, 0.00313169/step Wall: 13643.7, 0.00313169/step, 0.54996 hours remaining, 234.917969 MB of memory in use. ENERGY: 4367800 4039.2863 20507.6789 14492.9897 231.8382 -203332.0731 2509.1419 0.0000 0.0000 52186.8323 -109364.3059 299.9184 -161551.1382 -109004.4018 299.3908 -233.0811 -204.9394 762834.1740 25.1140 25.1048 PRESSURE: 4368000 -73.7268 89.5309 -136.457 89.5306 -150.326 4.48729 -136.457 4.48634 -104.504 GPRESSURE: 4368000 -98.1 119.027 -99.7468 17.7761 -107.918 38.2322 -72.6211 -108.154 -58.6615 PRESSAVG: 4368000 -28.2659 -12.1391 -9.44382 -12.1392 27.8954 7.57632 -9.44383 7.57641 8.39175 GPRESSAVG: 4368000 -27.9247 -14.8641 -7.19686 -12.7065 27.4097 9.96018 -7.59672 6.34635 7.93384 TIMING: 4368000 CPU: 13644.3, 0.00310694/step Wall: 13644.3, 0.00310694/step, 0.54544 hours remaining, 234.917969 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: 4368000 3935.1138 20388.1421 14428.7483 260.4132 -203308.2741 2708.0359 0.0000 0.0000 52344.0294 -109243.7913 300.8219 -161587.8207 -108872.8458 299.1187 -109.5192 -88.2265 764214.0737 2.6737 2.4729 PRESSURE: 4368200 -698.947 107.516 -55.0431 107.515 -458.804 -94.4576 -55.0437 -94.4582 -145.838 GPRESSURE: 4368200 -727.447 117.396 -143.697 135.931 -345.277 -85.9403 -43.3319 -60.6182 -138.316 PRESSAVG: 4368200 -28.7941 -8.72479 45.2009 -8.72482 60.1663 -19.9154 45.2008 -19.9154 -8.71989 GPRESSAVG: 4368200 -29.654 -8.74528 45.905 -9.09127 60.975 -20.1803 45.3696 -19.2596 -8.24325 TIMING: 4368200 CPU: 13644.9, 0.00313246/step Wall: 13644.9, 0.00313246/step, 0.549747 hours remaining, 234.917969 MB of memory in use. ENERGY: 4368200 4004.8139 20485.9790 14494.1384 240.0215 -202890.7377 2321.8907 0.0000 0.0000 52194.8057 -109149.0885 299.9643 -161343.8943 -108786.7887 299.0838 -434.5296 -403.6799 763559.6938 7.5508 7.6926 LDB: ============= START OF LOAD BALANCING ============== 13657.4 LDB: ============== END OF LOAD BALANCING =============== 13657.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13657.4 LDB: ============= START OF LOAD BALANCING ============== 13657.7 LDB: Largest compute 7050 load 0.034082 is 17.5% of average load 0.195193 LDB: Average compute 0.004402 is 2.3% of average load 0.195193 LDB: TIME 13657.7 LOAD: AVG 0.195193 MAX 0.217923 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.773 MB LDB: TIME 13657.7 LOAD: AVG 0.195193 MAX 0.217923 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.977 MB LDB: TIME 13657.7 LOAD: AVG 0.195193 MAX 0.217809 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.977 MB LDB: ============== END OF LOAD BALANCING =============== 13657.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13657.7 PRESSURE: 4368400 -34.1436 29.9762 209.381 29.9757 104.501 137.524 209.381 137.523 193.484 GPRESSURE: 4368400 3.50935 150.889 154.098 -32.4231 107.593 194.549 254.939 93.8884 238.391 PRESSAVG: 4368400 -53.2619 -20.1054 3.48672 -20.1054 60.9697 -12.0016 3.48672 -12.0016 -0.906394 GPRESSAVG: 4368400 -53.3058 -18.6 2.24321 -18.1915 60.6808 -14.3166 2.65317 -10.9627 -0.322363 TIMING: 4368400 CPU: 13645.6, 0.00318953/step Wall: 13645.6, 0.00318953/step, 0.559585 hours remaining, 234.316406 MB of memory in use. ENERGY: 4368400 4038.6004 20565.8055 14507.3859 247.9843 -203557.8487 2926.3411 0.0000 0.0000 51884.0073 -109387.7242 298.1781 -161271.7315 -109038.4293 299.2387 87.9470 116.4977 760490.8519 2.2671 2.3509 PRESSURE: 4368600 130.343 -226.4 -259.009 -226.399 -120.947 228.429 -259.009 228.429 111.698 GPRESSURE: 4368600 72.7918 -200.99 -218.14 -331.381 -49.4374 235.018 -354.716 188.841 187.942 PRESSAVG: 4368600 -41.1015 -36.8385 19.9162 -36.8385 42.9796 14.1465 19.9162 14.1464 26.9561 GPRESSAVG: 4368600 -40.1785 -36.4826 19.8502 -38.762 41.283 15.8096 20.8761 13.5736 28.1922 TIMING: 4368600 CPU: 13646.2, 0.00310976/step Wall: 13646.2, 0.00310976/step, 0.545418 hours remaining, 234.375000 MB of memory in use. ENERGY: 4368600 4008.4253 20619.4847 14455.2818 243.1325 -203203.9306 2631.8384 0.0000 0.0000 51913.0601 -109332.7077 298.3451 -161245.7679 -108976.3216 299.3032 40.3647 70.4323 763253.7839 9.6114 9.7656 PRESSURE: 4368800 -224.525 6.84556 -190.534 6.84597 -175.334 -56.0952 -190.533 -56.0957 -241.015 GPRESSURE: 4368800 -267.609 -18.0303 -243.575 -37.0132 -114.748 -166.787 -200.527 29.5449 -156.575 PRESSAVG: 4368800 -33.5864 -69.0397 -43.5257 -69.0397 16.2561 6.67937 -43.5257 6.67933 4.85296 GPRESSAVG: 4368800 -34.6419 -68.4957 -41.8845 -69.3058 17.9108 6.05615 -44.4898 6.85414 4.56071 TIMING: 4368800 CPU: 13646.8, 0.00309333/step Wall: 13646.8, 0.00309333/step, 0.542364 hours remaining, 234.375000 MB of memory in use. ENERGY: 4368800 3953.9070 20631.1928 14460.7158 259.4207 -202914.1652 2390.1711 0.0000 0.0000 51743.0710 -109475.6869 297.3681 -161218.7578 -109120.0704 298.8647 -213.6246 -179.6439 763223.0692 -4.1591 -4.0568 PRESSURE: 4369000 -210.346 300.024 255.469 300.024 286.32 33.5716 255.47 33.5715 4.51691 GPRESSURE: 4369000 -147.01 292.138 242.884 271.66 252.156 -24.3663 218.324 160.391 53.549 PRESSAVG: 4369000 -10.7703 -16.6512 12.8834 -16.6512 57.402 15.2548 12.8833 15.2548 -4.77662 GPRESSAVG: 4369000 -9.78347 -17.6995 12.3316 -16.224 56.4713 15.9857 12.7024 15.056 -5.10697 TIMING: 4369000 CPU: 13647.4, 0.00312523/step Wall: 13647.4, 0.00312523/step, 0.547784 hours remaining, 234.375000 MB of memory in use. ENERGY: 4369000 3972.3039 20756.2111 14492.2964 243.0508 -203209.2404 2533.2889 0.0000 0.0000 51781.8072 -109430.2821 297.5908 -161212.0893 -109076.0125 298.9518 26.8300 52.8983 762429.0394 13.9517 13.8603 PRESSURE: 4369200 186.568 91.047 -124.159 91.0472 84.3163 -151.529 -124.159 -151.53 -410.626 GPRESSURE: 4369200 221.897 164.805 -171.008 106.561 99.4667 -198.446 -102.32 -56.0986 -373.726 PRESSAVG: 4369200 5.61544 39.48 -13.9855 39.4801 23.5256 7.78023 -13.9855 7.78026 1.51039 GPRESSAVG: 4369200 3.97024 38.7665 -14.5362 39.1789 24.2337 6.82663 -13.7537 7.19272 2.10754 TIMING: 4369200 CPU: 13648.1, 0.00314519/step Wall: 13648.1, 0.00314519/step, 0.551106 hours remaining, 234.375000 MB of memory in use. ENERGY: 4369200 3968.3145 20567.7467 14495.6135 236.7845 -203549.3945 2965.0525 0.0000 0.0000 51866.9542 -109448.9287 298.0801 -161315.8829 -109088.9433 298.2989 -46.5807 -17.4540 764800.8617 10.2172 10.1038 PRESSURE: 4369400 -363.701 175.567 -73.8734 175.567 -61.2391 -96.7478 -73.8739 -96.7482 3.6569 GPRESSURE: 4369400 -207.804 100.515 -24.5233 152.807 -155.64 -173.305 -114.272 -77.5065 25.0005 PRESSAVG: 4369400 -28.7096 36.1327 -14.7196 36.1326 47.2381 -27.9621 -14.7197 -27.962 -20.754 GPRESSAVG: 4369400 -27.91 38.0352 -14.3262 35.1282 46.6055 -29.7046 -14.9512 -26.2561 -21.1542 TIMING: 4369400 CPU: 13648.7, 0.00310272/step Wall: 13648.7, 0.00310272/step, 0.543493 hours remaining, 234.375000 MB of memory in use. ENERGY: 4369400 3972.2592 20440.4655 14487.3214 250.0371 -202893.1151 2592.6608 0.0000 0.0000 51831.2123 -109319.1589 297.8747 -161150.3712 -108952.4414 299.2344 -140.4276 -112.8146 764689.4549 -0.7418 -0.8196 PRESSURE: 4369600 -2.72908 76.211 -148.078 76.2119 498.241 -10.1404 -148.079 -10.1401 296.515 GPRESSURE: 4369600 153.762 33.7475 -144.201 100.509 440.32 -74.6179 -163.635 -19.35 275.473 PRESSAVG: 4369600 -40.9115 48.9911 -18.6143 48.9912 67.6427 2.34429 -18.6143 2.34428 27.7947 GPRESSAVG: 4369600 -41.4123 49.0471 -20.1675 48.7721 67.8608 5.39155 -18.7942 0.561503 27.8216 TIMING: 4369600 CPU: 13649.3, 0.00308985/step Wall: 13649.3, 0.00308985/step, 0.541067 hours remaining, 234.375000 MB of memory in use. ENERGY: 4369600 4044.6812 20357.7904 14540.4564 255.0652 -203640.9467 2976.7976 0.0000 0.0000 52164.4730 -109301.6829 299.7899 -161466.1559 -108942.2656 298.9757 264.0089 289.8519 760947.6351 18.1753 18.0900 PRESSURE: 4369800 10.5191 43.418 5.80968 43.4162 -182.885 -82.5854 5.80956 -82.584 -481.896 GPRESSURE: 4369800 117.984 36.6329 -16.2348 69.4166 -153.204 -47.5963 68.8698 8.7238 -529.05 PRESSAVG: 4369800 -85.9036 -0.62691 -43.33 -0.626913 34.4791 -1.45594 -43.33 -1.45588 13.9483 GPRESSAVG: 4369800 -85.288 -2.52597 -42.4504 1.39853 34.8208 -1.47295 -40.5193 -0.959863 12.7818 TIMING: 4369800 CPU: 13649.9, 0.0030858/step Wall: 13649.9, 0.0030858/step, 0.540186 hours remaining, 234.375000 MB of memory in use. ENERGY: 4369800 4041.6908 20396.4356 14471.9116 259.6069 -203326.0512 2721.3923 0.0000 0.0000 52094.0757 -109340.9382 299.3854 -161435.0138 -108973.4433 298.9652 -218.0872 -188.0901 762805.7207 -12.4921 -12.5618 PRESSURE: 4370000 -95.6277 29.6644 112.961 29.6639 -114.676 -261.723 112.961 -261.724 -124.3 GPRESSURE: 4370000 -54.3825 103.177 200.05 18.9951 -69.9905 -244.872 21.2138 -132.506 -120.975 PRESSAVG: 4370000 -59.6723 7.08482 35.519 7.08479 -16.0542 25.8566 35.519 25.8566 13.6119 GPRESSAVG: 4370000 -58.7822 9.09363 34.8033 6.83909 -17.0263 24.3656 30.9954 26.3201 13.6053 TIMING: 4370000 CPU: 13650.5, 0.00307688/step Wall: 13650.5, 0.00307688/step, 0.538454 hours remaining, 234.375000 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: 4370000 4044.6077 20402.5093 14456.7277 238.1032 -203136.8846 2580.2082 0.0000 0.0000 52008.2418 -109406.4868 298.8921 -161414.7286 -109057.2158 298.7808 -111.5346 -81.7826 763565.2915 -20.7049 -20.7344 PRESSURE: 4370200 54.2099 -40.1726 -90.365 -40.1726 -401.735 282.974 -90.3665 282.975 -285.607 GPRESSURE: 4370200 12.6931 60.3298 -75.7613 153.654 -332.34 245.209 -73.6078 169.317 -221.826 PRESSAVG: 4370200 -63.517 2.11413 -3.02283 2.11415 60.7359 -13.7163 -3.02282 -13.7163 -28.9336 GPRESSAVG: 4370200 -64.7691 1.31272 -2.43178 1.33418 61.5222 -14.2857 -2.10943 -14.8797 -28.1087 TIMING: 4370200 CPU: 13651.2, 0.00309586/step Wall: 13651.2, 0.00309586/step, 0.541603 hours remaining, 234.375000 MB of memory in use. ENERGY: 4370200 4053.7522 20521.9684 14466.0711 234.7282 -203102.3924 2474.4139 0.0000 0.0000 52000.0792 -109351.3794 298.8452 -161351.4586 -108974.7206 299.1671 -211.0441 -180.4910 762757.0473 -10.5716 -10.4519 PRESSURE: 4370400 -490.084 124.714 -301.279 124.714 -350.79 173.402 -301.278 173.4 -251.374 GPRESSURE: 4370400 -375.11 128.657 -355.137 140.013 -409.615 147.379 -267.481 132.773 -228.702 PRESSAVG: 4370400 -30.0002 38.6445 -14.1021 38.6445 20.8896 5.66446 -14.1022 5.66449 -12.7525 GPRESSAVG: 4370400 -30.7034 38.2981 -15.316 39.0154 21.5601 5.93078 -12.5802 7.16964 -12.6579 TIMING: 4370400 CPU: 13651.8, 0.00309176/step Wall: 13651.8, 0.00309176/step, 0.540715 hours remaining, 234.375000 MB of memory in use. ENERGY: 4370400 4052.3955 20493.6908 14422.8393 260.6233 -203142.7263 2506.4343 0.0000 0.0000 51968.6769 -109438.0662 298.6647 -161406.7431 -109080.9571 298.8475 -364.0830 -337.8089 762222.4311 -7.2877 -7.2670 PRESSURE: 4370600 -184.985 42.7295 171.884 42.7298 269.068 114.255 171.884 114.255 99.6596 GPRESSURE: 4370600 -107.011 68.5663 218.11 52.7203 208.936 173.851 242.098 59.6554 145.789 PRESSAVG: 4370600 -14.3827 10.2253 -16.1987 10.2253 -2.77689 27.6162 -16.1987 27.6162 -0.0358067 GPRESSAVG: 4370600 -13.8539 9.3561 -15.568 11.3801 -3.78011 28.7414 -16.503 25.4215 0.590212 TIMING: 4370600 CPU: 13652.4, 0.00309283/step Wall: 13652.4, 0.00309283/step, 0.54073 hours remaining, 234.375000 MB of memory in use. ENERGY: 4370600 3920.3595 20737.5137 14435.0045 248.8567 -203129.7040 2580.0617 0.0000 0.0000 51888.8238 -109319.0840 298.2058 -161207.9079 -108964.6774 299.0018 61.2473 82.5712 762194.0307 -5.7318 -5.6813 PRESSURE: 4370800 -330.131 -87.1426 73.5945 -87.142 -30.0788 12.5569 73.5956 12.5577 161.528 GPRESSURE: 4370800 -225.771 -107.582 66.1996 -67.3176 40.5832 -4.52852 -6.18131 -26.3002 55.019 PRESSAVG: 4370800 -73.3405 13.7102 -10.8829 13.7103 61.5284 12.4745 -10.8829 12.4746 -3.3456 GPRESSAVG: 4370800 -73.9266 12.4021 -7.95206 13.2576 63.0845 11.6282 -10.5596 12.7051 -4.34841 TIMING: 4370800 CPU: 13653, 0.00307951/step Wall: 13653, 0.00307951/step, 0.538231 hours remaining, 234.375000 MB of memory in use. ENERGY: 4370800 4002.2846 20652.8341 14430.6102 256.8834 -203414.5749 2685.4258 0.0000 0.0000 51991.8932 -109394.6436 298.7981 -161386.5368 -109034.3828 299.4016 -66.2270 -43.3896 761309.4318 -5.0526 -5.0635 PRESSURE: 4371000 -175.599 -330.852 -83.4634 -330.851 -75.9254 6.69801 -83.4633 6.69914 -13.0183 GPRESSURE: 4371000 -122.254 -234.282 -43.1993 -225.8 -46.7452 141.401 -175.245 -126.237 -8.73209 PRESSAVG: 4371000 -62.9301 -28.0171 -15.4032 -28.0171 71.9599 -45.2877 -15.4032 -45.2876 2.31952 GPRESSAVG: 4371000 -62.225 -26.9761 -16.5661 -28.0597 70.2572 -44.8528 -17.4674 -46.4228 3.85431 TIMING: 4371000 CPU: 13653.6, 0.00309234/step Wall: 13653.6, 0.00309234/step, 0.540301 hours remaining, 234.375000 MB of memory in use. ENERGY: 4371000 3985.2468 20600.6079 14483.8726 251.3299 -203196.9103 2541.6833 0.0000 0.0000 51971.6236 -109362.5463 298.6816 -161334.1699 -109006.5285 299.0251 -88.1808 -59.2436 761667.9246 3.7831 3.9622 PRESSURE: 4371200 17.1884 -22.533 -206.8 -22.5328 184.627 28.2028 -206.8 28.203 -70.2235 GPRESSURE: 4371200 96.4748 32.2064 -191.851 -0.966671 225.597 76.3404 -223.745 -16.5754 -100.524 PRESSAVG: 4371200 -97.0256 1.36481 -3.94066 1.36478 66.5144 -24.1979 -3.94071 -24.1979 4.30546 GPRESSAVG: 4371200 -95.8526 1.62056 -4.85388 0.620513 67.0464 -25.3775 -4.67967 -19.8115 2.58612 TIMING: 4371200 CPU: 13654.3, 0.00310937/step Wall: 13654.3, 0.00310937/step, 0.543104 hours remaining, 234.375000 MB of memory in use. ENERGY: 4371200 3997.1004 20531.3512 14519.0258 223.4900 -203470.8609 2788.0318 0.0000 0.0000 52203.1620 -109208.6998 300.0123 -161411.8618 -108840.7128 299.4672 43.8638 73.8494 760986.8593 -8.7352 -8.7400 PRESSURE: 4371400 -346.067 47.7483 -135.921 47.7492 103.344 117.744 -135.921 117.745 380.191 GPRESSURE: 4371400 -319.806 37.0417 -199.607 2.7961 42.5196 83.679 -205.864 156.989 472.292 PRESSAVG: 4371400 -24.1859 19.1921 -46.2846 19.1921 47.3904 -4.73442 -46.2845 -4.7345 14.6286 GPRESSAVG: 4371400 -24.69 20.4013 -48.3895 20.5821 47.9175 -3.85676 -43.8037 -7.91142 14.4587 TIMING: 4371400 CPU: 13654.9, 0.00312661/step Wall: 13654.9, 0.00312661/step, 0.545941 hours remaining, 234.375000 MB of memory in use. ENERGY: 4371400 3997.2837 20586.7289 14470.7573 249.2672 -203550.7900 2908.8130 0.0000 0.0000 52057.2257 -109280.7143 299.1736 -161337.9400 -108916.0863 299.6787 45.8228 65.0018 761523.9954 12.6110 12.5620 PRESSURE: 4371600 406.755 100.329 119.273 100.329 148.619 124.894 119.273 124.894 128.509 GPRESSURE: 4371600 396.984 93.1978 50.5107 18.1785 209.687 11.6004 58.565 66.4942 150.447 PRESSAVG: 4371600 -35.2131 -19.612 -12.08 -19.612 42.8891 -12.0309 -12.0799 -12.0309 -21.5991 GPRESSAVG: 4371600 -35.3602 -19.6684 -10.2217 -20.331 42.704 -11.8621 -12.6176 -12.2238 -21.6244 TIMING: 4371600 CPU: 13655.5, 0.00310407/step Wall: 13655.5, 0.00310407/step, 0.541832 hours remaining, 234.375000 MB of memory in use. ENERGY: 4371600 4028.4164 20532.3180 14466.1460 256.0166 -204024.5994 3184.7022 0.0000 0.0000 52049.0831 -109507.9171 299.1268 -161557.0001 -109144.8643 299.4062 227.9607 252.3727 760321.8953 -4.6410 -4.7602 PRESSURE: 4371800 -461.076 47.1536 -76.6064 47.1534 -25.1377 -80.4333 -76.6061 -80.4326 -105.292 GPRESSURE: 4371800 -445.179 -7.35084 -152.08 35.0596 -28.8441 -173.661 -57.521 -10.9553 -23.7547 PRESSAVG: 4371800 -0.446164 -4.19881 -14.7988 -4.1988 -11.5992 12.71 -14.7988 12.71 0.658132 GPRESSAVG: 4371800 -0.947406 -4.46746 -16.3337 -5.88649 -11.411 12.4412 -14.8956 11.9226 1.10994 TIMING: 4371800 CPU: 13656.1, 0.00309496/step Wall: 13656.1, 0.00309496/step, 0.540071 hours remaining, 234.375000 MB of memory in use. ENERGY: 4371800 4036.7143 20384.0737 14477.2842 225.6452 -203290.3465 2524.9704 0.0000 0.0000 52095.6821 -109545.9767 299.3946 -161641.6587 -109185.4267 299.2751 -197.1684 -165.9258 761301.2099 -3.7957 -3.7495 PRESSURE: 4372000 -144.553 -65.2935 -52.9097 -65.2936 2.68696 167.26 -52.9106 167.261 -233.011 GPRESSURE: 4372000 -242.939 -108.878 -64.5086 -34.0153 189.363 139.958 30.4246 166.393 -233.267 PRESSAVG: 4372000 -28.0937 -15.4879 -40.1022 -15.4879 38.7937 -37.5526 -40.1022 -37.5524 15.7579 GPRESSAVG: 4372000 -27.0167 -16.281 -38.9281 -12.9857 37.4012 -37.6273 -40.0439 -36.8604 16.1816 TIMING: 4372000 CPU: 13656.7, 0.00308632/step Wall: 13656.7, 0.00308632/step, 0.538392 hours remaining, 234.375000 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: 4372000 4044.4226 20535.9603 14404.2207 252.1586 -203217.9023 2482.5017 0.0000 0.0000 52068.6637 -109429.9745 299.2393 -161498.6383 -109066.4952 299.4042 -124.9590 -95.6143 760585.7382 8.8193 8.8554 PRESSURE: 4372200 26.6242 -131.346 -113.374 -131.345 356.627 -67.7331 -113.374 -67.7327 455.746 GPRESSURE: 4372200 37.1334 -43.6042 -143.291 -121.931 343.473 -55.5012 -31.5112 -56.8254 528.966 PRESSAVG: 4372200 -52.469 0.893429 -40.7601 0.893343 57.183 25.2151 -40.7601 25.215 -3.56346 GPRESSAVG: 4372200 -53.1002 -0.0352279 -40.2401 -0.79255 57.6804 26.1322 -42.3543 25.0117 -3.36094 TIMING: 4372200 CPU: 13657.4, 0.00309956/step Wall: 13657.4, 0.00309956/step, 0.540529 hours remaining, 234.375000 MB of memory in use. ENERGY: 4372200 4008.6843 20504.1495 14471.0286 255.1260 -203542.6983 2721.3174 0.0000 0.0000 52151.0331 -109431.3593 299.7127 -161582.3923 -109070.0191 299.3307 279.6655 303.1910 760844.7780 0.3835 0.4064 LDB: ============= START OF LOAD BALANCING ============== 13669.8 LDB: ============== END OF LOAD BALANCING =============== 13669.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13669.8 LDB: ============= START OF LOAD BALANCING ============== 13670.1 LDB: Largest compute 7026 load 0.031215 is 16.0% of average load 0.195187 LDB: Average compute 0.004412 is 2.3% of average load 0.195187 LDB: TIME 13670.1 LOAD: AVG 0.195187 MAX 0.214277 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.738 MB LDB: TIME 13670.1 LOAD: AVG 0.195187 MAX 0.214277 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.816 MB LDB: TIME 13670.1 LOAD: AVG 0.195187 MAX 0.214277 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.816 MB LDB: ============== END OF LOAD BALANCING =============== 13670.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13670.2 PRESSURE: 4372400 365.61 74.2228 93.044 74.2219 -7.20924 -178.502 93.044 -178.501 -287.723 GPRESSURE: 4372400 428.319 111.53 111.05 92.3852 -14.3945 -183.677 33.8465 -134.109 -249.946 PRESSAVG: 4372400 -58.5892 -9.83321 -12.4923 -9.83323 -4.45044 -6.15537 -12.4922 -6.1553 7.7531 GPRESSAVG: 4372400 -59.6045 -8.78235 -13.9712 -9.10136 -4.43489 -7.13834 -12.7019 -5.89355 8.67522 TIMING: 4372400 CPU: 13658, 0.00317613/step Wall: 13658, 0.00317613/step, 0.553705 hours remaining, 233.738281 MB of memory in use. ENERGY: 4372400 3992.0479 20788.1075 14393.6074 236.4836 -203605.3384 2593.4605 0.0000 0.0000 52112.0829 -109489.5486 299.4889 -161601.6314 -109136.8382 299.2170 23.5594 54.6597 760856.3777 -18.4288 -18.4547 PRESSURE: 4372600 -129.055 1.51805 -9.32039 1.51848 73.3984 -129.033 -9.32002 -129.033 163.698 GPRESSURE: 4372600 -74.4371 115.553 -89.8275 77.8475 57.2738 -123.796 49.078 -64.7449 194.595 PRESSAVG: 4372600 3.95091 28.6757 -36.8626 28.6757 -18.6744 -4.94789 -36.8626 -4.94785 18.283 GPRESSAVG: 4372600 5.59512 29.3894 -37.1111 27.0478 -18.2182 -5.45417 -36.1077 -4.86124 16.7583 TIMING: 4372600 CPU: 13658.6, 0.00312329/step Wall: 13658.6, 0.00312329/step, 0.544319 hours remaining, 233.738281 MB of memory in use. ENERGY: 4372600 3987.7844 20545.0824 14395.5753 241.9266 -203804.3339 3044.2533 0.0000 0.0000 51879.0237 -109710.6882 298.1495 -161589.7120 -109358.5912 299.3978 36.0136 59.1440 761246.7198 1.1865 1.3784 PRESSURE: 4372800 25.7344 244.088 3.43334 244.088 -175.15 -51.8022 3.43362 -51.8031 -152.128 GPRESSURE: 4372800 74.5784 188.748 1.43371 210.916 -160.427 -84.2592 104.462 -37.7518 -147.085 PRESSAVG: 4372800 6.51274 24.6151 -25.5448 24.6151 2.16755 -15.2195 -25.5449 -15.2195 -3.97467 GPRESSAVG: 4372800 5.19319 22.3588 -25.6397 26.8002 3.03127 -15.3178 -24.5859 -14.3778 -3.88347 TIMING: 4372800 CPU: 13659.2, 0.00309257/step Wall: 13659.2, 0.00309257/step, 0.538794 hours remaining, 233.750000 MB of memory in use. ENERGY: 4372800 3986.6249 20561.1317 14471.3539 246.2696 -203653.4026 2542.8698 0.0000 0.0000 52209.7228 -109635.4299 300.0500 -161845.1527 -109269.6325 299.0721 -100.5145 -77.6444 761562.7020 1.5685 1.4470 PRESSURE: 4373000 -170.441 23.4737 -176.922 23.4734 -43.5875 -91.248 -176.921 -91.248 -69.695 GPRESSURE: 4373000 -147.951 54.5975 -139.877 55.9086 26.9564 -5.89892 -222.87 -99.7565 -62.8191 PRESSAVG: 4373000 -0.615442 -5.56708 -41.8567 -5.56704 -7.46784 -34.5221 -41.8566 -34.5221 -5.0809 GPRESSAVG: 4373000 0.321227 -5.14714 -41.7101 -5.68232 -7.55106 -32.9924 -43.7073 -34.395 -5.19324 TIMING: 4373000 CPU: 13659.9, 0.00310078/step Wall: 13659.9, 0.00310078/step, 0.540052 hours remaining, 233.750000 MB of memory in use. ENERGY: 4373000 4096.8405 20623.1932 14474.6880 239.2518 -203475.7755 2589.4388 0.0000 0.0000 51975.8215 -109476.5417 298.7058 -161452.3632 -109114.0072 299.3979 -94.5746 -61.2711 761139.6623 -4.3881 -4.1410 PRESSURE: 4373200 64.5669 -160.495 -140.586 -160.494 -124.108 11.2069 -140.586 11.2075 202.406 GPRESSURE: 4373200 106.828 -209.721 -147.758 -112.886 -86.4907 -34.3207 -11.2501 -76.0748 200.94 PRESSAVG: 4373200 18.4848 -15.607 -34.4391 -15.607 -29.3605 -20.5838 -34.4391 -20.5839 -3.20138 GPRESSAVG: 4373200 19.037 -14.7399 -33.8489 -16.6894 -29.4229 -22.4846 -32.4876 -20.2119 -4.06483 TIMING: 4373200 CPU: 13660.5, 0.0031054/step Wall: 13660.5, 0.0031054/step, 0.540685 hours remaining, 233.750000 MB of memory in use. ENERGY: 4373200 3985.8683 20583.1937 14536.2792 252.7490 -203673.2824 2665.1551 0.0000 0.0000 52015.5154 -109634.5218 298.9339 -161650.0372 -109283.2080 299.0385 47.6217 73.7591 761058.5689 -4.6923 -4.8169 PRESSURE: 4373400 174.844 -195.71 -288.117 -195.711 -11.6227 101.262 -288.116 101.26 209.72 GPRESSURE: 4373400 211.639 -74.5703 -255.762 -248.79 -75.5358 62.3847 -292.853 50.8256 307.32 PRESSAVG: 4373400 -24.7183 -64.8666 -56.327 -64.8666 16.6281 -13.6434 -56.327 -13.6435 4.39396 GPRESSAVG: 4373400 -25.8735 -65.8441 -58.2124 -65.1042 16.3933 -13.0357 -55.6414 -13.95 6.1785 TIMING: 4373400 CPU: 13661.1, 0.00313098/step Wall: 13661.1, 0.00313098/step, 0.544964 hours remaining, 233.750000 MB of memory in use. ENERGY: 4373400 3893.2311 20467.5356 14579.9979 250.1162 -203333.8242 2386.4898 0.0000 0.0000 51974.8152 -109781.6384 298.7000 -161756.4536 -109404.1511 298.9508 124.3138 147.8079 761075.3818 -1.2321 -1.1006 PRESSURE: 4373600 -51.3012 -12.3809 224.589 -12.3803 148.114 -192.688 224.589 -192.688 129.916 GPRESSURE: 4373600 46.34 17.607 304.271 77.5581 125.33 -67.5851 227.946 -173.518 143.336 PRESSAVG: 4373600 -0.637011 -23.4041 1.30449 -23.4041 4.72747 -22.1829 1.30451 -22.1828 -7.56994 GPRESSAVG: 4373600 -1.2141 -21.1571 3.08094 -23.6407 4.64889 -20.5909 0.876665 -22.6623 -6.84393 TIMING: 4373600 CPU: 13661.7, 0.00309448/step Wall: 13661.7, 0.00309448/step, 0.538439 hours remaining, 233.750000 MB of memory in use. ENERGY: 4373600 3908.2098 20609.3180 14440.8891 236.7992 -203088.4193 2456.2290 0.0000 0.0000 51795.4550 -109641.5191 297.6692 -161436.9740 -109278.7866 298.3700 75.5762 105.0020 762335.7140 -1.1598 -1.1364 PRESSURE: 4373800 12.4799 -47.8445 86.0037 -47.8453 -247.762 -23.627 86.0023 -23.6272 562.521 GPRESSURE: 4373800 135.998 -75.3804 124.557 11.6523 -214.001 -93.72 -23.4373 -62.3567 496.643 PRESSAVG: 4373800 -11.9863 44.0307 26.738 44.0307 22.8076 -75.352 26.738 -75.3521 -4.98621 GPRESSAVG: 4373800 -8.62728 43.4619 25.4114 45.4366 21.7037 -75.3497 24.9498 -75.8895 -7.20128 TIMING: 4373800 CPU: 13662.3, 0.00311864/step Wall: 13662.3, 0.00311864/step, 0.54247 hours remaining, 233.750000 MB of memory in use. ENERGY: 4373800 3900.6918 20488.1233 14458.9536 240.2840 -203431.5536 2456.9898 0.0000 0.0000 52269.3644 -109617.1467 300.3928 -161886.5111 -109248.1753 298.9922 109.0796 139.5468 762031.3175 1.9450 1.9584 PRESSURE: 4374000 -56.8006 -16.7213 66.1722 -16.7213 -283.007 -6.78819 66.172 -6.78825 -180.464 GPRESSURE: 4374000 -54.2825 82.7499 47.9605 86.0331 -249.131 -17.0114 108.286 30.7059 -142.677 PRESSAVG: 4374000 29.5115 -4.98353 23.8402 -4.98351 -27.8088 -23.9717 23.8402 -23.9717 -18.7445 GPRESSAVG: 4374000 27.7775 -6.62274 24.8703 -6.45753 -27.7989 -25.1156 24.6061 -24.4995 -16.6288 TIMING: 4374000 CPU: 13663, 0.00310354/step Wall: 13663, 0.00310354/step, 0.539671 hours remaining, 233.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4374000 4019.7209 20401.6767 14508.7858 231.4321 -202837.9492 2228.6231 0.0000 0.0000 51827.0358 -109620.6747 297.8507 -161447.7106 -109254.8868 298.5192 -173.4240 -148.6969 761565.3204 -5.6806 -5.5501 PRESSURE: 4374200 -167.02 -69.843 172.113 -69.8427 -158.258 24.9386 172.113 24.9383 85.1005 GPRESSURE: 4374200 -106.845 -97.3218 113.765 -158.237 -176.513 -61.5861 141.967 96.7563 121.647 PRESSAVG: 4374200 -2.39615 50.5633 -19.0579 50.5633 -8.76972 -27.6419 -19.0579 -27.6419 -7.55532 GPRESSAVG: 4374200 -1.88142 50.761 -19.0399 51.0462 -8.84967 -28.7657 -18.562 -24.9814 -7.78256 TIMING: 4374200 CPU: 13663.6, 0.00309757/step Wall: 13663.6, 0.00309757/step, 0.538462 hours remaining, 233.750000 MB of memory in use. ENERGY: 4374200 3966.0782 20387.3448 14502.8511 226.7262 -203320.2419 2598.2533 0.0000 0.0000 51947.8839 -109691.1045 298.5452 -161638.9884 -109323.6152 298.1761 -80.0591 -53.9034 761396.0583 -6.2404 -6.1712 PRESSURE: 4374400 -261.538 51.8574 -46.31 51.8576 218.797 -19.3454 -46.3106 -19.3463 -214.133 GPRESSURE: 4374400 -161.201 67.9279 -125.311 67.0917 101.518 -33.3546 33.9019 -54.7615 -114.234 PRESSAVG: 4374400 -10.291 23.6967 -34.3961 23.6967 21.8898 18.968 -34.3962 18.9681 5.75856 GPRESSAVG: 4374400 -11.5818 24.684 -34.478 25.0416 23.8523 20.8133 -34.1911 17.9781 5.94055 TIMING: 4374400 CPU: 13664.2, 0.00308773/step Wall: 13664.2, 0.00308773/step, 0.536579 hours remaining, 233.750000 MB of memory in use. ENERGY: 4374400 3982.6777 20362.4097 14418.5224 259.3255 -203129.1689 2554.9816 0.0000 0.0000 52060.5335 -109490.7185 299.1926 -161551.2520 -109132.8435 298.3167 -85.6245 -57.9724 763069.4517 5.7858 6.0704 PRESSURE: 4374600 -122.794 -16.9844 158.683 -16.9841 -12.923 71.8946 158.683 71.8946 161.996 GPRESSURE: 4374600 -153.641 -94.0167 186.299 23.2066 36.4048 21.132 53.7372 60.5117 208.874 PRESSAVG: 4374600 -13.0216 4.85513 -9.04494 4.85511 -38.7302 11.8489 -9.0449 11.8488 9.14677 GPRESSAVG: 4374600 -12.2816 6.18906 -7.38692 4.2088 -39.5695 11.1526 -8.72056 9.76931 8.80711 TIMING: 4374600 CPU: 13664.8, 0.00312085/step Wall: 13664.8, 0.00312085/step, 0.542162 hours remaining, 233.726562 MB of memory in use. ENERGY: 4374600 3925.3130 20335.3620 14445.1252 234.7861 -203369.5594 2626.8871 0.0000 0.0000 52264.6153 -109537.4707 300.3655 -161802.0860 -109174.8614 298.5052 8.7594 30.5461 761595.6913 -14.2017 -14.3480 PRESSURE: 4374800 409.748 -43.0882 -57.1293 -43.0881 325.932 161.119 -57.13 161.117 -58.7653 GPRESSURE: 4374800 438.449 14.0822 -67.0745 -79.1066 342.355 163.275 11.9568 200.811 -34.7471 PRESSAVG: 4374800 2.41836 -2.98371 -54.665 -2.98374 8.77176 7.39898 -54.6649 7.39887 -19.3354 GPRESSAVG: 4374800 1.15859 -2.95522 -54.0314 -3.82584 9.77241 8.61478 -56.1269 8.08777 -19.5912 TIMING: 4374800 CPU: 13665.4, 0.00311432/step Wall: 13665.4, 0.00311432/step, 0.540854 hours remaining, 233.726562 MB of memory in use. ENERGY: 4374800 3914.3078 20432.4166 14511.7170 263.0999 -203036.5080 2466.3434 0.0000 0.0000 51832.4918 -109616.1314 297.8820 -161448.6233 -109258.6366 298.4366 225.6382 248.6854 759879.8740 -2.7151 -2.8867 PRESSURE: 4375000 -231.545 -20.6325 83.3933 -20.6323 -103.051 -30.3118 83.3939 -30.3124 -98.6214 GPRESSURE: 4375000 -224.238 -42.6063 -10.3349 -91.6313 -147.833 -146.157 135.375 -0.63385 19.4561 PRESSAVG: 4375000 -50.2973 -15.4798 -60.4767 -15.4798 67.4064 27.5672 -60.4768 27.5673 8.35328 GPRESSAVG: 4375000 -50.1008 -18.8696 -62.3995 -15.119 64.9899 26.89 -59.8786 26.8525 9.58008 TIMING: 4375000 CPU: 13666.1, 0.00312037/step Wall: 13666.1, 0.00312037/step, 0.541731 hours remaining, 233.750000 MB of memory in use. ENERGY: 4375000 3969.4494 20564.9211 14409.1750 245.1976 -203212.6442 2519.8263 0.0000 0.0000 51838.9926 -109665.0822 297.9194 -161504.0748 -109323.5781 298.5719 -144.4057 -117.5381 762237.3611 8.4874 8.1564 PRESSURE: 4375200 112.066 -180.253 -296.371 -180.254 208.621 80.3935 -296.371 80.3929 138.928 GPRESSURE: 4375200 58.5952 -69.0394 -203.193 -192.724 267.719 77.3154 -250.659 17.0725 215.486 PRESSAVG: 4375200 -22.8523 -20.6861 -45.2355 -20.6861 13.9456 -10.9484 -45.2355 -10.9484 -6.61748 GPRESSAVG: 4375200 -22.0913 -19.7205 -45.0004 -22.4464 14.4395 -12.791 -45.1459 -10.0446 -8.12515 TIMING: 4375200 CPU: 13666.7, 0.00311351/step Wall: 13666.7, 0.00311351/step, 0.540367 hours remaining, 233.750000 MB of memory in use. ENERGY: 4375200 3879.0386 20312.7812 14547.2884 250.2456 -203429.4574 2687.9374 0.0000 0.0000 52190.3277 -109561.8385 299.9385 -161752.1662 -109192.5370 298.8959 153.2052 180.6001 761190.0167 -5.1747 -5.2590 PRESSURE: 4375400 -208.713 234.699 58.6125 234.698 -75.4698 273.03 58.6124 273.03 151.435 GPRESSURE: 4375400 -140.844 200.628 123.243 217.723 -82.1069 147.716 107.436 308.548 146.069 PRESSAVG: 4375400 -43.0356 -17.0641 -32.0065 -17.0641 39.2192 -3.21921 -32.0065 -3.21922 2.0918 GPRESSAVG: 4375400 -43.9878 -17.1056 -32.8804 -14.4263 39.715 -1.78829 -30.7945 -3.17545 2.86021 TIMING: 4375400 CPU: 13667.3, 0.00313255/step Wall: 13667.3, 0.00313255/step, 0.543498 hours remaining, 233.750000 MB of memory in use. ENERGY: 4375400 3981.5902 20735.2813 14491.5562 236.8274 -203502.5906 2620.2390 0.0000 0.0000 52174.9718 -109262.1248 299.8503 -161437.0966 -108906.3089 299.3704 -44.2492 -25.6274 760994.9515 -0.5749 -0.4709 PRESSURE: 4375600 -155.959 39.697 110.171 39.6973 -239.184 71.2061 110.17 71.2071 -77.2392 GPRESSURE: 4375600 -124.632 -3.92223 133.399 -50.5063 -188.725 45.4976 -25.1111 3.6619 -67.4189 PRESSAVG: 4375600 -30.8002 49.0928 -63.2417 49.0928 -11.1178 31.8335 -63.2417 31.8334 11.8212 GPRESSAVG: 4375600 -29.6033 48.4514 -61.9517 48.2044 -11.6993 31.423 -65.9344 31.8924 10.8386 TIMING: 4375600 CPU: 13667.9, 0.00313/step Wall: 13667.9, 0.00313/step, 0.542881 hours remaining, 233.750000 MB of memory in use. ENERGY: 4375600 4020.2604 20462.1983 14401.0652 228.4672 -203346.9487 2522.1543 0.0000 0.0000 52140.8139 -109571.9894 299.6540 -161712.8033 -109201.7165 299.5849 -157.4608 -126.9252 760492.4627 -10.0323 -10.1547 PRESSURE: 4375800 -442.655 251.64 -267.704 251.641 -238.059 -254.665 -267.704 -254.666 -64.2163 GPRESSURE: 4375800 -441.358 190.771 -304.884 186.554 -211.272 -173.65 -248.972 -280.435 -6.2339 PRESSAVG: 4375800 -17.6227 18.9098 -37.2581 18.9098 23.1294 -44.7361 -37.258 -44.7362 -14.7591 GPRESSAVG: 4375800 -17.4899 21.5792 -39.0047 17.867 22.8588 -44.8225 -35.0741 -46.803 -14.9076 TIMING: 4375800 CPU: 13668.6, 0.00311798/step Wall: 13668.6, 0.00311798/step, 0.540623 hours remaining, 233.750000 MB of memory in use. ENERGY: 4375800 3995.7544 20632.4434 14426.5099 254.9633 -203373.6420 2490.0940 0.0000 0.0000 52016.3372 -109557.5397 298.9386 -161573.8770 -109193.5524 298.8971 -248.3099 -219.6214 761406.8474 -3.0841 -3.1795 PRESSURE: 4376000 -162.857 -207.689 -163.51 -207.688 -153.268 -290.157 -163.51 -290.156 83.6738 GPRESSURE: 4376000 -131.387 -213.71 -260.298 -172.205 -75.4178 -235.877 -131.5 -314.569 60.3143 PRESSAVG: 4376000 -10.3761 -48.8521 -4.2022 -48.852 35.0876 -29.243 -4.20229 -29.243 10.3156 GPRESSAVG: 4376000 -10.8119 -47.9906 -3.52654 -48.1225 36.3268 -29.2817 -3.56938 -28.0302 9.93725 TIMING: 4376000 CPU: 13669.2, 0.00311922/step Wall: 13669.2, 0.00311921/step, 0.540664 hours remaining, 233.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4376000 3978.8476 20607.4660 14493.6383 237.5223 -203166.6071 2356.6795 0.0000 0.0000 51996.0091 -109496.4442 298.8218 -161492.4533 -109135.6271 299.0079 -77.4839 -48.8303 758825.0501 11.6757 11.8174 PRESSURE: 4376200 -202.011 27.2339 -1.86042 27.2334 51.8185 -1.47706 -1.85965 -1.47628 -76.6705 GPRESSURE: 4376200 -194.356 -19.3921 22.3568 130.227 124.988 38.9555 53.4171 43.8878 -76.3268 PRESSAVG: 4376200 -38.9763 -16.606 24.9886 -16.606 36.7727 -53.2158 24.9886 -53.2158 -14.561 GPRESSAVG: 4376200 -39.1582 -17.4766 25.9814 -15.6996 36.512 -52.5923 24.93 -50.4828 -14.0038 TIMING: 4376200 CPU: 13669.8, 0.00312701/step Wall: 13669.8, 0.00312701/step, 0.541841 hours remaining, 233.750000 MB of memory in use. ENERGY: 4376200 4042.8084 20441.0008 14528.1864 241.1915 -203326.8323 2531.9197 0.0000 0.0000 52066.4495 -109475.2760 299.2266 -161541.7255 -109112.0103 298.8445 -75.6209 -48.5648 763023.2267 -5.5882 -5.5500 LDB: ============= START OF LOAD BALANCING ============== 13682.3 LDB: ============== END OF LOAD BALANCING =============== 13682.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13682.3 LDB: ============= START OF LOAD BALANCING ============== 13682.6 LDB: Largest compute 7026 load 0.030191 is 15.5% of average load 0.195254 LDB: Average compute 0.004394 is 2.3% of average load 0.195254 LDB: TIME 13682.6 LOAD: AVG 0.195254 MAX 0.214515 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.262 MB LDB: TIME 13682.6 LOAD: AVG 0.195254 MAX 0.214515 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.262 MB LDB: TIME 13682.6 LOAD: AVG 0.195254 MAX 0.214515 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.262 MB LDB: ============== END OF LOAD BALANCING =============== 13682.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13682.6 PRESSURE: 4376400 -216.656 -14.915 -17.8392 -14.9155 -498.331 11.5399 -17.8396 11.5392 31.646 GPRESSURE: 4376400 -217.506 -69.9041 -4.94468 28.4863 -382.712 -43.0917 -101.647 123.644 12.0475 PRESSAVG: 4376400 0.115405 -9.18566 18.8866 -9.18558 12.1967 19.7773 18.8865 19.7772 15.3791 GPRESSAVG: 4376400 0.380644 -12.2314 18.1173 -8.60573 12.1505 18.2095 17.8535 19.929 15.2862 TIMING: 4376400 CPU: 13670.5, 0.00318328/step Wall: 13670.5, 0.00318328/step, 0.551414 hours remaining, 235.031250 MB of memory in use. ENERGY: 4376400 3986.7061 20540.0070 14533.5441 227.6942 -203167.1748 2395.2655 0.0000 0.0000 52077.9424 -109406.0155 299.2927 -161483.9579 -109044.5598 299.3675 -227.7806 -196.0567 762152.8635 9.2304 9.2724 PRESSURE: 4376600 -194.391 -49.6797 -52.8466 -49.6802 7.13645 -5.62029 -52.8467 -5.61874 -282.201 GPRESSURE: 4376600 -135.967 -24.117 3.52901 76.297 26.6924 25.975 -0.796377 -0.964433 -257.794 PRESSAVG: 4376600 -27.3151 -31.6964 -12.1359 -31.6964 32.9148 -16.9175 -12.1359 -16.9175 7.76705 GPRESSAVG: 4376600 -27.7225 -29.869 -12.6456 -32.2123 32.4194 -15.9475 -14.4321 -18.2691 8.76108 TIMING: 4376600 CPU: 13671.1, 0.00311115/step Wall: 13671.1, 0.00311114/step, 0.538746 hours remaining, 235.031250 MB of memory in use. ENERGY: 4376600 4061.5415 20576.9048 14513.6734 237.8642 -202710.7460 2085.3889 0.0000 0.0000 51916.8415 -109318.5317 298.3668 -161235.3733 -108942.9901 299.5287 -156.4850 -122.3563 762388.2368 4.4556 4.4860 PRESSURE: 4376800 13.7497 169.449 -248.349 169.45 331.992 -366.697 -248.349 -366.697 121.203 GPRESSURE: 4376800 76.574 82.6392 -218.229 90.4078 348.716 -333.552 -96.8953 -280.732 114.184 PRESSAVG: 4376800 8.2548 -13.0735 -15.3896 -13.0735 22.3624 -49.6396 -15.3896 -49.6396 28.1927 GPRESSAVG: 4376800 7.60636 -13.8115 -13.7023 -13.4147 23.3473 -49.0753 -12.7653 -50.1548 27.9841 TIMING: 4376800 CPU: 13671.7, 0.00312024/step Wall: 13671.7, 0.00312024/step, 0.540148 hours remaining, 235.031250 MB of memory in use. ENERGY: 4376800 4034.2519 20540.1797 14521.8241 252.0471 -203111.0033 2519.4941 0.0000 0.0000 51800.3668 -109442.8397 297.6974 -161243.2065 -109078.0926 298.8854 155.6483 179.8247 762063.2442 19.6033 19.6459 PRESSURE: 4377000 -30.1246 -2.8809 95.3106 -2.88186 116.323 -78.648 95.3098 -78.6479 342.807 GPRESSURE: 4377000 19.4271 51.0423 67.1209 19.4652 213.069 59.6244 96.6401 -2.80953 279.337 PRESSAVG: 4377000 -45.8669 -73.1562 30.3517 -73.1562 51.9323 2.37387 30.3517 2.37385 -9.02897 GPRESSAVG: 4377000 -44.6569 -72.1194 28.9156 -73.9055 50.7964 1.63636 30.5134 3.2453 -9.43036 TIMING: 4377000 CPU: 13672.3, 0.00311476/step Wall: 13672.3, 0.00311476/step, 0.539027 hours remaining, 235.031250 MB of memory in use. ENERGY: 4377000 3980.1644 20509.3709 14488.7208 252.3189 -203218.8765 2629.4658 0.0000 0.0000 52067.4354 -109291.4003 299.2323 -161358.8356 -108919.6225 299.0649 143.0019 170.6112 760360.1885 -0.9879 -1.0970 PRESSURE: 4377200 38.443 -71.359 -61.2746 -71.3577 -103.21 331.094 -61.2745 331.094 -329.47 GPRESSURE: 4377200 -13.9008 -72.3004 -53.3664 -53.8026 -62.6427 344.951 -148.763 123.333 -222.777 PRESSAVG: 4377200 38.3549 3.32498 5.27249 3.32497 -29.9092 -15.6628 5.27249 -15.6628 -6.09497 GPRESSAVG: 4377200 36.8999 4.06675 4.63064 3.2069 -29.3941 -16.5081 5.88354 -15.5013 -5.67894 TIMING: 4377200 CPU: 13673, 0.00312204/step Wall: 13673, 0.00312204/step, 0.540112 hours remaining, 235.031250 MB of memory in use. ENERGY: 4377200 3948.3142 20534.9683 14450.7642 246.0520 -203020.2825 2448.9392 0.0000 0.0000 52046.5448 -109344.6997 299.1122 -161391.2445 -108966.6303 298.9850 -131.4122 -99.7734 763076.7655 0.7836 0.6090 PRESSURE: 4377400 -44.5892 -46.853 -109.756 -46.8538 -164.579 295.641 -109.756 295.639 -255.33 GPRESSURE: 4377400 4.41359 -90.1152 -169.427 -28.9432 -154.556 283.476 -54.4107 332.566 -233.401 PRESSAVG: 4377400 -0.342571 -45.6173 -2.97505 -45.6173 2.95027 12.2285 -2.97505 12.2284 -4.43079 GPRESSAVG: 4377400 0.146037 -46.251 -2.08852 -44.8506 2.1002 12.6902 -3.3006 12.0448 -4.64945 TIMING: 4377400 CPU: 13673.6, 0.00312801/step Wall: 13673.6, 0.00312801/step, 0.540971 hours remaining, 235.031250 MB of memory in use. ENERGY: 4377400 4035.6864 20472.4872 14446.3036 227.8701 -203226.8814 2570.5412 0.0000 0.0000 52147.8928 -109326.1002 299.6947 -161473.9930 -108952.1302 298.9385 -154.8327 -127.8479 763046.2565 -0.6077 -0.8011 PRESSURE: 4377600 402.912 94.7107 -186.052 94.711 427.722 40.8954 -186.053 40.8967 -2.74498 GPRESSURE: 4377600 489.254 106.059 -93.9132 111.538 410.149 -2.17673 -120.549 -88.2079 5.69138 PRESSAVG: 4377600 -15.0879 -53.6476 -18.3086 -53.6477 68.6822 31.1855 -18.3086 31.1856 -18.6961 GPRESSAVG: 4377600 -14.6911 -52.3912 -17.3583 -54.5462 68.0275 31.1051 -18.6901 32.1323 -18.4867 TIMING: 4377600 CPU: 13674.2, 0.00310111/step Wall: 13674.2, 0.0031011/step, 0.536146 hours remaining, 235.031250 MB of memory in use. ENERGY: 4377600 3975.6335 20429.4284 14478.6516 241.7672 -203270.4199 2768.2559 0.0000 0.0000 52161.7676 -109214.9156 299.7744 -161376.6832 -108854.9873 299.2426 275.9630 301.6981 762319.1226 11.6327 11.6166 PRESSURE: 4377800 -22.1312 39.5139 57.8525 39.5133 -20.4809 34.677 57.853 34.6773 -414.486 GPRESSURE: 4377800 20.2376 39.2053 66.1811 5.38061 74.6284 59.6731 154.436 -0.419184 -445.273 PRESSAVG: 4377800 -20.1822 -5.70326 11.8861 -5.70329 29.6874 -5.32735 11.8861 -5.32739 11.0542 GPRESSAVG: 4377800 -20.6927 -6.1313 10.8093 -6.18929 31.653 -5.10222 11.7558 -6.33232 9.78503 TIMING: 4377800 CPU: 13674.8, 0.00310445/step Wall: 13674.8, 0.00310445/step, 0.536553 hours remaining, 235.031250 MB of memory in use. ENERGY: 4377800 3993.1122 20523.3357 14527.9790 255.2569 -203083.6507 2451.5478 0.0000 0.0000 52084.0184 -109248.4008 299.3276 -161332.4191 -108893.2768 299.2031 -152.3659 -116.8022 763687.3466 6.8531 6.9151 PRESSURE: 4378000 -282.304 119.382 102.006 119.383 -364.458 -40.5236 102.005 -40.5223 -224.017 GPRESSURE: 4378000 -257.254 92.652 191.514 24.5369 -338.334 -11.0422 59.2431 -37.9317 -199.432 PRESSAVG: 4378000 -65.8146 16.189 42.2233 16.189 68.8485 11.8107 42.2232 11.8107 -9.63335 GPRESSAVG: 4378000 -64.968 13.5364 41.5759 17.7932 67.8594 11.6971 42.6971 10.8716 -9.92989 TIMING: 4378000 CPU: 13675.4, 0.00311411/step Wall: 13675.4, 0.00311411/step, 0.538049 hours remaining, 235.031250 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: 4378000 3955.0044 20550.1674 14541.3091 239.4757 -203392.1721 2620.8450 0.0000 0.0000 52202.7301 -109282.6402 300.0098 -161485.3703 -108920.6322 298.6453 -290.2594 -265.0066 762087.5877 -2.1998 -2.3462 PRESSURE: 4378200 -96.5281 -27.1108 100.783 -27.1112 141.466 -56.892 100.783 -56.8934 233.557 GPRESSURE: 4378200 -40.8037 16.8475 113.914 -10.8599 176.861 -61.6085 43.8343 -71.9714 224.765 PRESSAVG: 4378200 -105.004 12.5543 22.521 12.5543 94.6599 19.367 22.5209 19.367 12.49 GPRESSAVG: 4378200 -103.969 14.4013 23.2189 10.5071 93.6775 18.7986 20.9721 19.6259 12.8971 TIMING: 4378200 CPU: 13676.1, 0.00310001/step Wall: 13676.1, 0.00310001/step, 0.535441 hours remaining, 235.031250 MB of memory in use. ENERGY: 4378200 3943.7865 20569.5745 14437.4233 236.7505 -203132.2783 2565.9459 0.0000 0.0000 52053.2073 -109325.5904 299.1505 -161378.7976 -108970.6558 299.0369 92.8318 120.2743 762255.3394 0.7152 0.8685 PRESSURE: 4378400 -48.8835 -30.4437 -172.105 -30.4443 -401.06 -30.0233 -172.105 -30.0232 -134.99 GPRESSURE: 4378400 -74.2506 -4.32664 -164.742 -213.709 -241.393 -114.024 -170.158 40.7961 -175.32 PRESSAVG: 4378400 -62.7552 -38.5297 -12.1407 -38.5297 77.5387 -13.1559 -12.1407 -13.1559 -6.92204 GPRESSAVG: 4378400 -62.7491 -40.6876 -13.9357 -37.9565 78.6283 -11.3402 -11.2181 -11.9546 -7.55686 TIMING: 4378400 CPU: 13676.7, 0.00310526/step Wall: 13676.7, 0.00310527/step, 0.536176 hours remaining, 235.031250 MB of memory in use. ENERGY: 4378400 3992.1972 20367.6699 14370.8454 216.1804 -202992.2335 2412.3098 0.0000 0.0000 52286.8111 -109346.2196 300.4930 -161633.0308 -108976.2944 299.4529 -194.9779 -163.6547 762159.2575 2.6205 2.7741 PRESSURE: 4378600 -454.377 69.3022 86.4062 69.3017 -418.671 -184.292 86.4065 -184.292 -376.62 GPRESSURE: 4378600 -459.031 66.6212 73.5089 118.699 -393.516 -139.774 102.607 -149.928 -310.758 PRESSAVG: 4378600 8.06967 -27.8561 -1.40271 -27.8561 -9.94382 -52.211 -1.4027 -52.2111 20.5058 GPRESSAVG: 4378600 7.56561 -27.3069 -1.70964 -27.1072 -9.57188 -52.825 1.29226 -53.5313 20.3447 TIMING: 4378600 CPU: 13677.3, 0.00310315/step Wall: 13677.3, 0.00310315/step, 0.535638 hours remaining, 235.031250 MB of memory in use. ENERGY: 4378600 4022.0911 20516.8127 14496.0518 244.5226 -202777.8987 2159.2682 0.0000 0.0000 51768.8533 -109570.2991 297.5163 -161339.1524 -109216.7916 299.4092 -416.5559 -387.7682 762852.3562 6.2106 6.1128 PRESSURE: 4378800 -195.857 -40.8199 -125.344 -40.8193 -79.9113 42.1201 -125.345 42.1192 -34.6947 GPRESSURE: 4378800 -150.75 6.6119 -154.767 -108.583 -122.923 133.153 -214.518 137.325 53.9472 PRESSAVG: 4378800 -46.367 28.6855 -23.2811 28.6854 27.9814 18.1659 -23.281 18.1658 -12.654 GPRESSAVG: 4378800 -47.0767 29.6535 -21.3454 28.7345 27.5352 17.797 -26.2503 21.2787 -11.6638 TIMING: 4378800 CPU: 13677.9, 0.00309969/step Wall: 13677.9, 0.00309969/step, 0.534868 hours remaining, 235.031250 MB of memory in use. ENERGY: 4378800 4072.9344 20405.7475 14485.6115 252.6569 -203184.6748 2572.5131 0.0000 0.0000 51918.4849 -109476.7263 298.3762 -161395.2112 -109114.6508 298.4557 -103.4876 -73.2418 762964.8220 -10.3465 -10.4018 PRESSURE: 4379000 -114.555 143.055 -1.85136 143.056 -110.032 -7.60146 -1.85121 -7.6009 132.136 GPRESSURE: 4379000 -88.6224 151.152 30.4165 170.802 2.93448 -121.556 14.9855 -134.167 104.817 PRESSAVG: 4379000 -2.7157 15.8148 -52.4884 15.8149 2.76792 -27.6596 -52.4884 -27.6597 1.81679 GPRESSAVG: 4379000 -0.908483 15.2648 -52.405 15.6142 1.84733 -27.8199 -51.1662 -31.3135 1.33732 TIMING: 4379000 CPU: 13678.5, 0.003119/step Wall: 13678.5, 0.003119/step, 0.538028 hours remaining, 235.031250 MB of memory in use. ENERGY: 4379000 3843.3442 20529.1127 14471.4532 236.4002 -203120.0732 2654.4771 0.0000 0.0000 51951.2599 -109434.0258 298.5646 -161385.2857 -109072.5561 299.0310 -30.8171 6.3764 763922.4759 0.6230 0.7587 PRESSURE: 4379200 122.716 -129.261 145.333 -129.261 -3.99157 325.511 145.332 325.511 238.152 GPRESSURE: 4379200 174.104 -112.85 218.671 -180.146 68.7217 292.164 120.718 299.716 223.577 PRESSAVG: 4379200 19.2932 -3.73422 -16.3086 -3.73424 -36.9019 4.47539 -16.3085 4.47523 5.17355 GPRESSAVG: 4379200 18.2384 -2.59144 -17.7065 -4.83325 -35.5153 3.9327 -17.2357 5.44511 4.61105 TIMING: 4379200 CPU: 13679.2, 0.00310638/step Wall: 13679.2, 0.00310638/step, 0.535678 hours remaining, 235.031250 MB of memory in use. ENERGY: 4379200 3919.3595 20297.5796 14514.8237 250.3299 -203139.3316 2576.7341 0.0000 0.0000 52086.8694 -109493.6355 299.3440 -161580.5048 -109130.1467 298.4770 118.9587 155.4677 761719.9757 -4.1451 -4.2219 PRESSURE: 4379400 4.71672 -31.8478 -27.637 -31.8478 -89.8842 -25.4974 -27.6357 -25.4985 118.282 GPRESSURE: 4379400 109.905 -20.1195 -55.2803 38.8227 -57.7591 60.8535 79.4618 121.922 80.9202 PRESSAVG: 4379400 -12.8645 1.66023 -36.4863 1.66026 -18.691 -20.7689 -36.4863 -20.7689 9.14807 GPRESSAVG: 4379400 -11.7674 1.75396 -36.5848 1.926 -19.3908 -19.4572 -34.1902 -18.9338 8.94813 TIMING: 4379400 CPU: 13679.8, 0.00312208/step Wall: 13679.8, 0.00312208/step, 0.538213 hours remaining, 235.031250 MB of memory in use. ENERGY: 4379400 4010.9132 20453.5155 14438.4815 245.0176 -203239.0356 2439.9664 0.0000 0.0000 51931.8231 -109719.3183 298.4529 -161651.1414 -109356.1209 298.6722 11.0383 44.3553 762364.9164 -7.4692 -7.4033 PRESSURE: 4379600 41.7958 -25.7003 187.659 -25.7002 2.09706 149.998 187.66 149.997 -116.544 GPRESSURE: 4379600 75.4454 50.7606 222.501 -2.07115 -43.1055 140.109 69.0518 304.358 -48.5244 PRESSAVG: 4379600 -12.2058 23.3578 27.7846 23.3578 -8.93916 5.26273 27.7845 5.26269 -0.538644 GPRESSAVG: 4379600 -13.5928 21.734 28.1127 23.9133 -8.68339 4.22787 27.4821 5.079 0.156426 TIMING: 4379600 CPU: 13680.4, 0.00312809/step Wall: 13680.4, 0.00312809/step, 0.539074 hours remaining, 235.031250 MB of memory in use. ENERGY: 4379600 4058.3356 20551.2216 14430.0148 243.6991 -203303.4053 2362.7948 0.0000 0.0000 51784.1667 -109873.1727 297.6043 -161657.3393 -109519.5213 298.4739 -24.2169 -5.3948 761450.0281 -7.2279 -7.3733 PRESSURE: 4379800 1.26932 -303.801 -107.813 -303.802 -21.0703 -72.267 -107.813 -72.266 180.377 GPRESSURE: 4379800 77.8786 -277.392 -33.9005 -179.125 -65.914 -103.639 -180.281 -132.593 233.811 PRESSAVG: 4379800 -16.8286 -7.19134 39.579 -7.19131 -2.20922 43.8952 39.5791 43.8951 -4.71006 GPRESSAVG: 4379800 -15.2972 -6.49811 40.2926 -6.09734 -3.9748 44.2337 38.3617 42.6865 -5.12303 TIMING: 4379800 CPU: 13681, 0.00310066/step Wall: 13681, 0.00310066/step, 0.534175 hours remaining, 235.031250 MB of memory in use. ENERGY: 4379800 3978.7175 20384.1309 14416.2007 270.2452 -203175.1011 2500.4248 0.0000 0.0000 51857.7670 -109767.6150 298.0273 -161625.3820 -109393.3460 298.2587 53.5253 81.9251 761654.8520 -7.9159 -8.1317 PRESSURE: 4380000 -428.512 99.0376 18.1944 99.038 -227.995 109.172 18.1936 109.172 -365.094 GPRESSURE: 4380000 -352.79 86.8617 -41.8002 104.069 -202.296 50.207 110.624 -17.5864 -391.479 PRESSAVG: 4380000 -47.0671 -25.7868 -82.2902 -25.7868 2.26003 13.8245 -82.2902 13.8245 -14.4551 GPRESSAVG: 4380000 -49.1003 -26.4251 -82.4336 -26.4705 3.54512 13.3126 -82.0586 12.7285 -14.6763 TIMING: 4380000 CPU: 13681.7, 0.00310475/step Wall: 13681.7, 0.00310475/step, 0.534707 hours remaining, 235.031250 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: 4380000 4033.2500 20450.2040 14412.7985 241.7909 -203360.1087 2323.4154 0.0000 0.0000 51921.0859 -109977.5640 298.3912 -161898.6499 -109618.5814 298.4009 -340.5336 -315.5216 761442.2654 -19.7541 -20.0772 PRESSURE: 4380200 -343.803 -249.705 -80.1764 -249.706 -8.092 140.331 -80.1764 140.332 -95.9415 GPRESSURE: 4380200 -291.449 -221.883 -88.4649 -297.708 -22.3677 193.663 16.905 177.001 -31.3022 PRESSAVG: 4380200 -12.7914 -35.3208 6.84195 -35.3209 -11.4075 5.30777 6.84192 5.3078 -0.310351 GPRESSAVG: 4380200 -12.2253 -35.7853 4.17436 -35.6108 -11.7566 6.064 6.99377 4.70328 -0.298357 TIMING: 4380200 CPU: 13682.3, 0.00309117/step Wall: 13682.3, 0.00309117/step, 0.532197 hours remaining, 235.031250 MB of memory in use. ENERGY: 4380200 3998.4671 20451.4491 14421.3832 258.8267 -203815.1693 2772.7132 0.0000 0.0000 51956.2150 -109956.1150 298.5931 -161912.3300 -109599.7641 298.0529 -149.2788 -115.0395 760586.5802 -8.1698 -8.0934 LDB: ============= START OF LOAD BALANCING ============== 13694.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13694.8 LDB: =============== DONE WITH MIGRATION ================ 13694.8 LDB: ============= START OF LOAD BALANCING ============== 13695.1 LDB: Largest compute 7050 load 0.032914 is 16.9% of average load 0.195327 LDB: Average compute 0.004396 is 2.3% of average load 0.195327 LDB: TIME 13695.1 LOAD: AVG 0.195327 MAX 0.2136 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.898 MB LDB: TIME 13695.1 LOAD: AVG 0.195327 MAX 0.2136 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.898 MB LDB: TIME 13695.1 LOAD: AVG 0.195327 MAX 0.2136 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.898 MB LDB: ============== END OF LOAD BALANCING =============== 13695.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13695.1 PRESSURE: 4380400 -347.721 140.77 60.967 140.77 160.303 85.8915 60.9678 85.8922 14.3854 GPRESSURE: 4380400 -306.641 90.5858 173.678 22.1984 152.624 27.2328 60.7254 104.538 93.247 PRESSAVG: 4380400 10.4324 -7.06445 8.43897 -7.06446 11.6658 4.85353 8.43895 4.85352 -26.1549 GPRESSAVG: 4380400 9.41375 -8.00875 9.97719 -7.25221 12.132 3.87461 10.2014 8.19859 -25.3742 TIMING: 4380400 CPU: 13682.9, 0.00315732/step Wall: 13682.9, 0.00315732/step, 0.54341 hours remaining, 237.195312 MB of memory in use. ENERGY: 4380400 3969.1609 20607.9983 14430.1281 272.9058 -203690.1596 2694.9270 0.0000 0.0000 51686.7327 -110028.3069 297.0444 -161715.0396 -109660.1742 298.1080 -57.6773 -20.2567 760845.7505 -1.3522 -1.2762 PRESSURE: 4380600 -56.763 -76.6496 -113.861 -76.6495 -127.282 -221.097 -113.862 -221.098 279.158 GPRESSURE: 4380600 6.17936 41.8743 -43.3721 -2.78445 -74.0046 -211.42 -96.8459 -168.433 222.959 PRESSAVG: 4380600 -37.9235 55.6007 -6.05396 55.6007 1.83211 -16.0994 -6.05402 -16.0994 -12.5957 GPRESSAVG: 4380600 -37.3595 56.9355 -5.63486 55.7407 1.41859 -15.8189 -5.14 -18.2728 -12.5001 TIMING: 4380600 CPU: 13683.5, 0.00310272/step Wall: 13683.5, 0.00310272/step, 0.53384 hours remaining, 237.656250 MB of memory in use. ENERGY: 4380600 3982.0830 20356.2240 14393.6691 232.5298 -203345.0790 2518.8017 0.0000 0.0000 51990.1545 -109871.6169 298.7881 -161861.7714 -109502.7330 297.5382 31.7042 51.7112 760894.2192 -16.2290 -16.1470 PRESSURE: 4380800 -197.371 -156.821 -48.0437 -156.821 56.0827 -35.1256 -48.0433 -35.1258 -79.1638 GPRESSURE: 4380800 -117.469 -167.752 -29.6116 -176.732 -0.560903 -0.799238 -74.2859 17.9313 -30.3953 PRESSAVG: 4380800 -14.0401 14.6758 6.93822 14.6757 6.6311 -9.74651 6.93828 -9.74656 23.9451 GPRESSAVG: 4380800 -14.7541 15.321 5.61888 12.0447 6.61001 -9.42348 5.62984 -8.96047 23.9146 TIMING: 4380800 CPU: 13684.2, 0.00312526/step Wall: 13684.2, 0.00312526/step, 0.537545 hours remaining, 237.656250 MB of memory in use. ENERGY: 4380800 3981.9685 20580.8550 14418.7697 259.6533 -203160.5927 2482.6141 0.0000 0.0000 51684.7701 -109751.9620 297.0331 -161436.7321 -109388.2639 298.4832 -73.4842 -49.4752 763336.2850 5.5120 5.2569 PRESSURE: 4381000 -9.77808 -73.0742 60.8709 -73.0738 550.44 151.758 60.8713 151.758 -114.471 GPRESSURE: 4381000 37.999 39.1855 12.6346 7.11695 545.719 116.51 187.434 130.213 -72.2714 PRESSAVG: 4381000 59.7931 21.9976 63.7913 21.9977 -48.5762 -18.7695 63.7912 -18.7695 27.6741 GPRESSAVG: 4381000 60.5134 19.7673 66.0343 25.4524 -49.0438 -19.3169 62.7914 -18.5933 27.7619 TIMING: 4381000 CPU: 13684.8, 0.00310143/step Wall: 13684.8, 0.00310143/step, 0.533274 hours remaining, 237.656250 MB of memory in use. ENERGY: 4381000 4012.9481 20691.8951 14332.5901 241.0809 -203776.6993 2998.0115 0.0000 0.0000 51904.3956 -109595.7779 298.2953 -161500.1735 -109247.2049 298.4864 142.0634 170.4822 761968.8643 12.9637 13.0772 PRESSURE: 4381200 73.9414 -142.363 13.804 -142.362 97.4183 78.1699 13.8041 78.1691 67.5206 GPRESSURE: 4381200 34.0887 -125.245 -19.2842 -30.1653 190.599 -60.6584 114.602 7.08387 99.4756 PRESSAVG: 4381200 17.9724 19.4089 20.7429 19.409 18.6708 44.7511 20.7429 44.7512 12.5831 GPRESSAVG: 4381200 17.2231 22.2451 19.4894 17.543 20.0395 43.9069 20.7925 43.7865 11.7291 TIMING: 4381200 CPU: 13685.4, 0.00313489/step Wall: 13685.4, 0.00313489/step, 0.538853 hours remaining, 237.863281 MB of memory in use. ENERGY: 4381200 3892.0093 20542.0937 14456.5735 226.7026 -203297.5584 2455.6201 0.0000 0.0000 52154.4479 -109570.1113 299.7323 -161724.5591 -109197.7870 298.9139 79.6268 108.0543 762061.9476 16.4088 16.3305 PRESSURE: 4381400 -201.21 12.6748 -171.149 12.6747 -7.04214 -116.121 -171.15 -116.121 4.8938 GPRESSURE: 4381400 -178.911 64.1622 -147.17 19.338 21.3151 -78.3814 -176.361 1.98043 34.6215 PRESSAVG: 4381400 -45.6032 10.5726 42.7722 10.5726 23.466 -40.751 42.7722 -40.751 -7.42041 GPRESSAVG: 4381400 -46.08 10.1458 43.479 11.4831 23.5445 -38.352 42.6343 -40.9457 -7.00999 TIMING: 4381400 CPU: 13686, 0.00313911/step Wall: 13686, 0.00313911/step, 0.539403 hours remaining, 237.863281 MB of memory in use. ENERGY: 4381400 3935.1268 20567.9010 14469.2968 255.8915 -203448.0230 2639.7118 0.0000 0.0000 51970.4066 -109609.6886 298.6746 -161580.0952 -109255.3778 298.9127 -67.7862 -40.9915 763000.4594 -9.8525 -9.8485 PRESSURE: 4381600 -169.918 277.35 -50.3659 277.35 280.605 171.743 -50.3662 171.743 247.616 GPRESSURE: 4381600 -90.4323 244.144 1.5688 258.1 283.766 124.45 -35.8831 203.555 252.838 PRESSAVG: 4381600 5.55142 21.9072 -15.4373 21.9072 -10.7698 8.88597 -15.4373 8.88598 9.63951 GPRESSAVG: 4381600 6.70376 21.6586 -15.9497 21.7551 -11.2537 6.88965 -16.6038 9.37485 9.10002 TIMING: 4381600 CPU: 13686.7, 0.0031328/step Wall: 13686.7, 0.0031328/step, 0.538146 hours remaining, 237.863281 MB of memory in use. ENERGY: 4381600 3982.9728 20461.6809 14430.8220 247.3797 -203371.6954 2559.4340 0.0000 0.0000 52084.2553 -109605.1506 299.3289 -161689.4060 -109235.7154 299.0698 119.4342 148.7239 762529.5063 1.4737 1.5167 PRESSURE: 4381800 39.2692 95.4875 188.002 95.4868 17.3602 -75.6334 188.002 -75.6338 99.511 GPRESSURE: 4381800 47.4621 160.277 221.262 131.498 115.633 -59.496 151.028 -61.3306 68.2162 PRESSAVG: 4381800 -20.2821 68.7114 35.0237 68.7115 48.976 33.493 35.0238 33.4931 -8.03052 GPRESSAVG: 4381800 -18.8732 68.3378 34.1085 68.6623 47.476 34.5184 36.0041 31.9649 -7.95933 TIMING: 4381800 CPU: 13687.3, 0.00315111/step Wall: 13687.3, 0.00315111/step, 0.541116 hours remaining, 237.863281 MB of memory in use. ENERGY: 4381800 3950.1402 20602.8181 14541.7821 266.5370 -203513.5126 2819.7985 0.0000 0.0000 51925.6947 -109406.7420 298.4177 -161332.4367 -109058.4434 299.2777 52.0468 77.1037 762587.7328 6.8878 6.8811 PRESSURE: 4382000 43.2452 -58.7036 120.735 -58.7033 -152.989 -160.626 120.736 -160.626 -95.0849 GPRESSURE: 4382000 53.8997 10.8961 125.354 39.701 -172.788 -184.116 1.46758 -40.3368 1.07626 PRESSAVG: 4382000 -35.3753 4.85229 50.6616 4.85225 25.2273 16.5197 50.6615 16.5197 -7.45144 GPRESSAVG: 4382000 -37.5694 6.06496 51.8074 4.63119 25.8013 17.0915 49.3218 19.1057 -6.30052 TIMING: 4382000 CPU: 13687.9, 0.00311546/step Wall: 13687.9, 0.00311546/step, 0.53482 hours remaining, 237.863281 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: 4382000 3887.9170 20543.7349 14453.4331 263.9149 -203160.3885 2432.8931 0.0000 0.0000 52175.1185 -109403.3770 299.8511 -161578.4955 -109027.7669 299.0634 -68.2761 -39.2708 761329.6757 -5.8665 -6.0229 PRESSURE: 4382200 -119.054 -79.3488 103.774 -79.3489 184.271 32.5825 103.774 32.5816 476.423 GPRESSURE: 4382200 6.3956 -41.9527 93.6483 -41.0006 173.946 26.9007 45.127 -54.0442 468.033 PRESSAVG: 4382200 -45.6761 5.75854 39.1935 5.75853 37.0291 -41.7752 39.1935 -41.7752 18.8659 GPRESSAVG: 4382200 -45.2607 5.26219 40.6501 6.31902 38.1129 -41.5843 40.1379 -41.3084 17.5757 TIMING: 4382200 CPU: 13688.5, 0.00310921/step Wall: 13688.5, 0.00310921/step, 0.533575 hours remaining, 237.863281 MB of memory in use. ENERGY: 4382200 3958.2739 20351.8371 14469.1494 250.3734 -202873.7303 2432.7351 0.0000 0.0000 51979.5552 -109431.8063 298.7272 -161411.3614 -109073.9881 299.0568 180.5465 216.1248 762410.5815 3.4063 3.4759 PRESSURE: 4382400 -50.0384 -131.18 -79.4 -131.181 -31.5919 149.523 -79.4009 149.523 -92.7094 GPRESSURE: 4382400 -60.518 -88.3924 -109.717 -141.13 -10.1713 104.41 -109.145 41.4121 -32.9308 PRESSAVG: 4382400 -33.4401 -33.2223 51.3084 -33.2223 -5.7672 10.95 51.3084 10.95 -1.8292 GPRESSAVG: 4382400 -31.2567 -32.97 49.5656 -31.8907 -8.43862 8.38768 50.2724 9.19775 -1.20541 TIMING: 4382400 CPU: 13689.2, 0.00310397/step Wall: 13689.2, 0.00310397/step, 0.532503 hours remaining, 237.863281 MB of memory in use. ENERGY: 4382400 3944.3393 20510.1520 14515.1126 235.7040 -203394.4707 2798.4867 0.0000 0.0000 52033.3866 -109357.2895 299.0366 -161390.6761 -108988.4870 298.8598 -58.1132 -34.5400 762565.6538 -13.6788 -13.6336 PRESSURE: 4382600 -112.533 44.4213 171.685 44.4216 21.6241 165.462 171.685 165.461 41.8138 GPRESSURE: 4382600 -145.447 161.57 235.346 72.1855 169.818 209.98 111.802 183.377 1.08887 PRESSAVG: 4382600 -7.299 -27.6853 33.9223 -27.6854 0.229901 51.3698 33.9223 51.3699 14.5908 GPRESSAVG: 4382600 -10.2173 -28.9954 33.5791 -29.7412 2.36888 52.0705 34.5192 52.6718 15.2416 TIMING: 4382600 CPU: 13689.8, 0.00310043/step Wall: 13689.8, 0.00310043/step, 0.531724 hours remaining, 237.863281 MB of memory in use. ENERGY: 4382600 4001.1346 20487.9456 14479.5516 250.2612 -203520.7488 2866.0806 0.0000 0.0000 52108.9607 -109326.8145 299.4709 -161435.7751 -108954.0594 298.9776 -16.3652 8.4866 762616.7773 2.5072 2.4644 PRESSURE: 4382800 103.816 -36.7453 -134.639 -36.7465 35.3843 100.789 -134.641 100.789 524.744 GPRESSURE: 4382800 196.886 -26.1287 -10.6391 -119.294 1.61437 103.298 -69.9143 16.6175 543.646 PRESSAVG: 4382800 -51.0198 20.8526 -7.6197 20.8527 55.3341 66.1985 -7.61958 66.1985 10.884 GPRESSAVG: 4382800 -48.9279 19.1691 -8.32011 22.3589 54.5852 67.0518 -5.54949 66.821 9.61706 TIMING: 4382800 CPU: 13690.4, 0.00309007/step Wall: 13690.4, 0.00309007/step, 0.529775 hours remaining, 237.863281 MB of memory in use. ENERGY: 4382800 4027.3869 20583.9622 14435.8739 268.9667 -203248.4060 2755.5955 0.0000 0.0000 52007.0662 -109169.5546 298.8853 -161176.6208 -108805.8783 299.4176 221.3150 247.3820 762910.4608 5.0661 5.0914 PRESSURE: 4383000 -252.868 140.2 113.06 140.199 -116.286 -250.578 113.059 -250.579 -149.453 GPRESSURE: 4383000 -221.716 121.817 88.1616 171.123 1.113 -204.357 113.192 -236.724 -203.378 PRESSAVG: 4383000 -57.9826 60.7073 -14.8709 60.7073 17.1195 2.4131 -14.8709 2.41303 -17.9691 GPRESSAVG: 4383000 -59.7394 64.1528 -13.6914 59.0336 18.0569 1.95733 -13.8019 1.36994 -17.0405 TIMING: 4383000 CPU: 13691, 0.00311301/step Wall: 13691, 0.00311301/step, 0.533535 hours remaining, 237.832031 MB of memory in use. ENERGY: 4383000 4015.4768 20552.3875 14490.9195 245.2047 -202968.1543 2328.5960 0.0000 0.0000 51868.8191 -109466.7507 298.0908 -161335.5698 -109111.6600 299.1072 -172.8690 -141.3272 761858.9081 -19.6107 -19.5743 PRESSURE: 4383200 -5.08914 -53.7231 68.2148 -53.724 -266.285 53.6234 68.2161 53.6248 350.67 GPRESSURE: 4383200 25.3788 -6.08778 -12.7497 -131.225 -219.254 63.6824 90.7402 31.7961 354.147 PRESSAVG: 4383200 45.9954 64.2499 16.2179 64.25 -5.60959 20.2396 16.2179 20.2397 -15.6632 GPRESSAVG: 4383200 46.2207 63.4368 16.1868 65.0126 -5.93315 21.2183 14.1088 19.1943 -15.1999 TIMING: 4383200 CPU: 13691.6, 0.00310408/step Wall: 13691.6, 0.00310408/step, 0.531833 hours remaining, 237.832031 MB of memory in use. ENERGY: 4383200 3970.8610 20706.4573 14437.2868 246.7624 -203303.4997 2492.3473 0.0000 0.0000 51976.1537 -109473.6311 298.7077 -161449.7848 -109102.3217 299.3536 26.4321 53.4237 761546.8869 8.2409 8.3625 PRESSURE: 4383400 -331.359 -186.496 106.623 -186.496 -221.028 8.35984 106.623 8.36045 30.7689 GPRESSURE: 4383400 -313.781 -137.671 204.284 -167.749 -124.929 40.6919 91.9448 -44.3638 -4.6575 PRESSAVG: 4383400 13.0547 63.3011 9.96416 63.3011 -22.4144 -36.3621 9.96412 -36.362 -10.3638 GPRESSAVG: 4383400 13.3668 63.5304 9.23277 63.2072 -22.4189 -36.3406 11.117 -37.2744 -10.873 TIMING: 4383400 CPU: 13692.3, 0.0030952/step Wall: 13692.3, 0.0030952/step, 0.530138 hours remaining, 237.863281 MB of memory in use. ENERGY: 4383400 3994.8779 20564.8253 14397.9271 240.7218 -203671.5421 2550.8688 0.0000 0.0000 52095.2734 -109827.0479 299.3923 -161922.3213 -109470.7389 298.5076 -173.8726 -147.7894 760560.5204 -6.5745 -6.6417 PRESSURE: 4383600 338.013 -55.6223 19.0933 -55.6226 182.591 -81.5206 19.093 -81.5213 167.35 GPRESSURE: 4383600 485.997 134.674 23.7512 -31.2842 161.906 -83.1007 25.7783 56.3304 121.083 PRESSAVG: 4383600 -7.25407 -6.5683 -18.8226 -6.56835 17.898 -24.2038 -18.8226 -24.2038 17.6483 GPRESSAVG: 4383600 -7.58226 -6.42831 -19.625 -6.22392 18.6186 -22.8249 -17.8121 -22.644 17.0684 TIMING: 4383600 CPU: 13692.9, 0.00308757/step Wall: 13692.9, 0.00308757/step, 0.52866 hours remaining, 237.863281 MB of memory in use. ENERGY: 4383600 4047.2586 20441.8507 14478.8210 237.7321 -203401.7659 2629.9492 0.0000 0.0000 51785.8070 -109780.3473 297.6137 -161566.1543 -109423.6994 298.2143 229.3179 256.3285 761259.3691 9.4307 9.3682 PRESSURE: 4383800 -17.9995 45.6282 -77.2402 45.6271 -109.586 207.385 -77.2408 207.385 78.8078 GPRESSURE: 4383800 88.6489 46.6862 -127.201 72.575 -104.228 232.65 -176.466 51.7262 62.1918 PRESSAVG: 4383800 -29.7713 50.8086 -23.8312 50.8086 -9.04427 15.0998 -23.8311 15.0997 -12.2937 GPRESSAVG: 4383800 -30.6487 51.4429 -22.2999 49.6511 -9.15325 13.054 -27.9747 12.1684 -11.1875 TIMING: 4383800 CPU: 13693.5, 0.00309522/step Wall: 13693.5, 0.00309522/step, 0.529799 hours remaining, 237.863281 MB of memory in use. ENERGY: 4383800 4098.3761 20454.1551 14533.0044 251.0560 -203315.4017 2540.6338 0.0000 0.0000 51903.0074 -109535.1689 298.2873 -161438.1762 -109182.7751 298.4543 -16.2592 15.5377 760712.1873 -17.0364 -16.9965 PRESSURE: 4384000 139.558 80.3676 97.695 80.3677 221.446 -133.138 97.6943 -133.138 -69.9018 GPRESSURE: 4384000 116.154 3.22316 39.7832 109.628 273.956 -182.464 147.414 -43.426 -13.7725 PRESSAVG: 4384000 56.0822 14.0003 -24.0941 14.0003 -54.6254 12.2723 -24.0941 12.2723 13.0722 GPRESSAVG: 4384000 57.5296 13.5788 -23.2647 15.2676 -56.6394 12.0515 -24.059 14.6872 13.5876 TIMING: 4384000 CPU: 13694.1, 0.00310088/step Wall: 13694.1, 0.00310088/step, 0.530594 hours remaining, 237.863281 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: 4384000 3978.2197 20529.0755 14466.7492 257.6859 -203649.3125 2755.0701 0.0000 0.0000 52073.2707 -109589.2413 299.2658 -161662.5120 -109221.4749 298.7118 97.0340 125.4460 759969.6175 4.8430 4.8260 PRESSURE: 4384200 -263.549 92.008 -120.21 92.0081 -127.507 -202.689 -120.211 -202.689 221.25 GPRESSURE: 4384200 -186.547 132.376 -208.248 112.23 -56.6383 -151.63 -167.365 -78.7846 165.411 PRESSAVG: 4384200 3.46063 51.3247 -45.4236 51.3247 25.8369 27.7235 -45.4236 27.7234 1.23768 GPRESSAVG: 4384200 2.75017 50.9298 -46.5006 52.1173 27.7257 28.1603 -44.6182 27.5229 -0.551573 TIMING: 4384200 CPU: 13694.7, 0.0031031/step Wall: 13694.7, 0.0031031/step, 0.530803 hours remaining, 237.863281 MB of memory in use. ENERGY: 4384200 3996.6114 20463.4013 14450.3130 254.2102 -203042.6202 2502.7093 0.0000 0.0000 51827.6925 -109547.6824 297.8545 -161375.3749 -109178.2861 298.7351 -56.6022 -25.9246 760542.4966 10.1784 9.9748 LDB: ============= START OF LOAD BALANCING ============== 13707.2 LDB: ============== END OF LOAD BALANCING =============== 13707.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13707.2 LDB: ============= START OF LOAD BALANCING ============== 13707.5 LDB: Largest compute 7026 load 0.032256 is 16.5% of average load 0.195325 LDB: Average compute 0.004405 is 2.3% of average load 0.195325 LDB: TIME 13707.5 LOAD: AVG 0.195325 MAX 0.216497 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.062 MB LDB: TIME 13707.5 LOAD: AVG 0.195325 MAX 0.216497 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.062 MB LDB: TIME 13707.5 LOAD: AVG 0.195325 MAX 0.216497 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.062 MB LDB: ============== END OF LOAD BALANCING =============== 13707.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13707.5 PRESSURE: 4384400 282.704 116.732 -120.82 116.733 49.1581 -40.9539 -120.821 -40.9539 -151.435 GPRESSURE: 4384400 243.231 207.843 -121.601 12.4866 112.504 3.97801 -100.246 -19.2927 -118.465 PRESSAVG: 4384400 43.2881 -22.1719 -66.9362 -22.172 -35.2567 -31.0789 -66.9362 -31.0789 -14.2227 GPRESSAVG: 4384400 42.7323 -22.7599 -66.2562 -21.1157 -36.2206 -30.8819 -68.6649 -30.6067 -13.177 TIMING: 4384400 CPU: 13695.4, 0.00316788/step Wall: 13695.4, 0.00316788/step, 0.541708 hours remaining, 235.410156 MB of memory in use. ENERGY: 4384400 4057.8140 20543.8666 14475.5299 249.9070 -203096.5350 2375.8759 0.0000 0.0000 52000.3705 -109393.1713 298.8468 -161393.5417 -109024.8209 298.8827 60.1422 79.0902 761194.0538 -2.0638 -2.2217 PRESSURE: 4384600 185.657 116.851 -267.012 116.85 548.869 178.568 -267.012 178.569 197.821 GPRESSURE: 4384600 263.741 -33.4819 -297.287 71.2376 563.101 331.771 -183.989 145.227 212.171 PRESSAVG: 4384600 20.1514 4.52614 -3.08225 4.52615 -26.0079 -3.69475 -3.08224 -3.69479 12.6308 GPRESSAVG: 4384600 19.67 4.52993 -3.41806 1.9407 -25.2511 -4.06842 -2.56577 -4.24272 12.7202 TIMING: 4384600 CPU: 13696, 0.00309828/step Wall: 13696, 0.00309828/step, 0.529634 hours remaining, 235.613281 MB of memory in use. ENERGY: 4384600 4028.9841 20432.0112 14428.4002 244.1968 -203457.7161 2962.0960 0.0000 0.0000 52118.8966 -109243.1313 299.5280 -161362.0279 -108874.2721 299.2292 310.7824 346.3378 761964.8289 2.2581 2.3797 PRESSURE: 4384800 -371.385 55.9383 0.666771 55.9379 -249.833 -253.545 0.667909 -253.545 -294.211 GPRESSURE: 4384800 -320.621 115.991 -62.6974 102.025 -258.376 -209.272 6.63151 -171.456 -251.249 PRESSAVG: 4384800 7.93536 2.75546 -32.8166 2.75542 -24.6081 -7.26866 -32.8166 -7.26864 -21.2543 GPRESSAVG: 4384800 9.80152 3.5635 -34.0124 4.37924 -26.1442 -6.70165 -30.5449 -8.25259 -21.4262 TIMING: 4384800 CPU: 13696.6, 0.0030963/step Wall: 13696.6, 0.0030963/step, 0.529124 hours remaining, 235.875000 MB of memory in use. ENERGY: 4384800 3997.2046 20338.0464 14406.3607 246.9874 -203151.2798 2617.9080 0.0000 0.0000 52441.5170 -109103.2556 301.3821 -161544.7726 -108738.7750 299.4814 -305.1428 -276.7487 762908.1169 -12.6424 -12.5896 PRESSURE: 4385000 -458.86 17.0142 -54.809 17.0146 -54.1951 141.88 -54.809 141.88 192.714 GPRESSURE: 4385000 -227.769 8.50085 -63.3898 96.6578 -140.95 205.216 23.3037 181.393 133.889 PRESSAVG: 4385000 43.6383 7.40882 27.0109 7.40887 -24.8011 -25.6676 27.0108 -25.6676 27.4404 GPRESSAVG: 4385000 42.8201 7.76649 29.9414 5.65453 -23.3003 -25.2759 26.2284 -25.4986 26.4511 TIMING: 4385000 CPU: 13697.2, 0.00310836/step Wall: 13697.2, 0.00310836/step, 0.531011 hours remaining, 235.875000 MB of memory in use. ENERGY: 4385000 3973.3730 20494.2100 14489.9184 251.7402 -203130.4660 2596.6542 0.0000 0.0000 52282.0404 -109042.5298 300.4656 -161324.5703 -108682.3180 299.7896 -106.7804 -78.2765 761203.9301 15.4259 15.3236 PRESSURE: 4385200 -130.337 218.691 -135.631 218.691 364.825 -50.8304 -135.632 -50.8304 533.06 GPRESSURE: 4385200 -77.8111 89.8825 -79.5373 179.732 375.4 45.4233 -69.5353 -32.799 554.048 PRESSAVG: 4385200 41.0736 -4.01857 -33.2206 -4.01857 -1.83398 41.6021 -33.2206 41.602 -9.25225 GPRESSAVG: 4385200 41.4312 -4.17928 -34.1539 -4.69534 -2.51372 41.4318 -32.8976 42.0518 -9.16228 TIMING: 4385200 CPU: 13697.8, 0.00308476/step Wall: 13697.8, 0.00308476/step, 0.526808 hours remaining, 235.941406 MB of memory in use. ENERGY: 4385200 3915.1158 20664.8800 14482.6058 254.5845 -203164.4740 2721.0121 0.0000 0.0000 52132.0009 -108994.2749 299.6033 -161126.2758 -108626.3724 299.9002 255.8494 283.8789 761445.0963 9.9958 9.9184 PRESSURE: 4385400 2.55394 88.0201 91.5621 88.0211 130.138 188.523 91.5622 188.523 107.482 GPRESSURE: 4385400 -13.357 98.6292 165.356 44.9956 218.941 282.48 -37.6463 144.567 115.236 PRESSAVG: 4385400 10.9351 40.7461 -1.45619 40.7462 25.6516 -17.938 -1.45629 -17.938 15.5001 GPRESSAVG: 4385400 10.577 40.5313 -2.14638 42.1489 25.5838 -17.2372 -2.89116 -17.4707 16.0664 TIMING: 4385400 CPU: 13698.5, 0.00311551/step Wall: 13698.5, 0.00311551/step, 0.531887 hours remaining, 235.941406 MB of memory in use. ENERGY: 4385400 3953.6860 20491.9065 14523.4025 240.6988 -203502.0820 2617.3743 0.0000 0.0000 52352.3547 -109322.6593 300.8697 -161675.0140 -108951.7131 299.6754 80.0582 106.9402 762016.2186 17.3623 17.4091 PRESSURE: 4385600 -120.317 -106.903 -201.192 -106.902 -133.411 -26.6302 -201.192 -26.6309 -91.5026 GPRESSURE: 4385600 -104.003 -184.431 -165.772 34.3065 -83.3786 -40.5907 -97.6891 55.5569 -60.2009 PRESSAVG: 4385600 -7.80828 -8.35502 -17.1664 -8.35501 -9.52849 16.1223 -17.1664 16.1223 18.3321 GPRESSAVG: 4385600 -6.69578 -8.59663 -17.2998 -10.4829 -10.2813 13.6696 -15.966 17.1007 17.5261 TIMING: 4385600 CPU: 13699.1, 0.00311343/step Wall: 13699.1, 0.00311343/step, 0.531358 hours remaining, 235.941406 MB of memory in use. ENERGY: 4385600 3960.0732 20675.7881 14494.3546 246.3077 -203275.1835 2663.4487 0.0000 0.0000 51765.8241 -109469.3870 297.4989 -161235.2111 -109103.3864 299.1403 -115.0767 -82.5275 762851.7043 0.3318 0.1830 PRESSURE: 4385800 -240.101 -69.0447 -79.5913 -69.0455 -294.936 -148.244 -79.5917 -148.244 37.1525 GPRESSURE: 4385800 -193.268 20.5341 -97.7396 -109.576 -228.6 -119.294 4.17369 -159.23 3.19641 PRESSAVG: 4385800 -50.5457 -55.977 -11.5719 -55.9769 30.8922 -5.83982 -11.572 -5.83981 12.8583 GPRESSAVG: 4385800 -52.2111 -57.0957 -9.00179 -54.1782 31.5788 -5.4299 -12.1355 -6.98714 13.9346 TIMING: 4385800 CPU: 13699.7, 0.00310608/step Wall: 13699.7, 0.00310608/step, 0.529931 hours remaining, 235.941406 MB of memory in use. ENERGY: 4385800 4028.2601 20587.2270 14507.7166 234.8675 -203429.0453 2521.5893 0.0000 0.0000 52084.0218 -109465.3629 299.3276 -161549.3847 -109106.8147 298.8489 -165.9616 -139.5572 762593.2405 -2.2651 -2.2326 PRESSURE: 4386000 104.198 179.763 233.22 179.763 -298.105 -189.779 233.221 -189.78 -20.0359 GPRESSURE: 4386000 64.5382 114.354 130.443 206.477 -182.5 -226.713 136.363 -107.696 -10.9686 PRESSAVG: 4386000 43.5282 -20.4718 43.3177 -20.4719 -40.0399 -38.5757 43.3177 -38.5758 7.74296 GPRESSAVG: 4386000 44.2896 -20.4281 40.5533 -19.9342 -40.3311 -40.36 41.2096 -38.87 7.19736 TIMING: 4386000 CPU: 13700.3, 0.00308178/step Wall: 13700.3, 0.00308178/step, 0.525614 hours remaining, 235.941406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4386000 3958.5194 20703.2130 14543.1590 225.8044 -203476.0137 2605.5452 0.0000 0.0000 52120.6939 -109319.0788 299.5383 -161439.7727 -108950.7113 299.1333 -71.3142 -42.9769 761140.6176 3.7438 3.7186 PRESSURE: 4386200 -244.179 -242.634 -80.9737 -242.634 -40.3444 -116.806 -80.9738 -116.807 -47.6515 GPRESSURE: 4386200 -124.693 -195.787 -52.2334 -94.6824 -41.9579 -189.215 -39.9775 -163.955 -78.8621 PRESSAVG: 4386200 43.7416 6.45369 -20.3496 6.45373 -83.4574 9.43356 -20.3496 9.43352 -3.84458 GPRESSAVG: 4386200 43.3158 5.14532 -20.2278 6.33323 -82.7912 11.2658 -17.1267 11.7891 -3.81938 TIMING: 4386200 CPU: 13700.9, 0.00308569/step Wall: 13700.9, 0.00308569/step, 0.526111 hours remaining, 235.941406 MB of memory in use. ENERGY: 4386200 4002.4478 20488.8731 14451.9895 253.0307 -202910.7125 2314.2302 0.0000 0.0000 52148.2830 -109251.8583 299.6969 -161400.1413 -108872.1550 299.0287 -110.7249 -81.8378 762785.1408 -14.5201 -14.4316 PRESSURE: 4386400 -136.165 12.9782 69.4901 12.9789 113.341 -200.662 69.4897 -200.662 -356.441 GPRESSURE: 4386400 -206.667 -46.1728 48.5145 44.91 133.113 -31.7904 120.759 -276.309 -220.569 PRESSAVG: 4386400 -48.9776 -32.9166 -11.4222 -32.9166 19.7019 -17.1655 -11.4222 -17.1656 36.9936 GPRESSAVG: 4386400 -49.4282 -31.948 -11.9672 -33.4109 18.6377 -13.8844 -11.8014 -21.8354 38.3116 TIMING: 4386400 CPU: 13701.6, 0.00310583/step Wall: 13701.6, 0.00310583/step, 0.529372 hours remaining, 235.941406 MB of memory in use. ENERGY: 4386400 3983.5828 20640.8707 14454.4641 245.7118 -203000.4742 2445.3770 0.0000 0.0000 51818.0865 -109412.3814 297.7993 -161230.4678 -109054.3631 299.1256 -126.4214 -98.0407 762292.8651 2.5727 2.5070 PRESSURE: 4386600 -56.2655 166.967 50.6156 166.967 -65.7536 -271.347 50.6159 -271.348 -231.741 GPRESSURE: 4386600 41.4938 240.157 23.5894 155.558 -63.866 -289.616 105.973 -252.561 -257.001 PRESSAVG: 4386600 -18.3939 -30.4066 -11.8113 -30.4066 34.8205 -72.5296 -11.8113 -72.5295 10.6188 GPRESSAVG: 4386600 -18.8418 -29.0252 -11.1553 -30.0874 34.5811 -74.3684 -11.8773 -71.3232 10.8747 TIMING: 4386600 CPU: 13702.2, 0.00310299/step Wall: 13702.2, 0.00310299/step, 0.528714 hours remaining, 235.941406 MB of memory in use. ENERGY: 4386600 3897.4443 20726.4490 14599.0324 240.6414 -203331.0986 2753.4900 0.0000 0.0000 51706.9028 -109407.1386 297.1603 -161114.0415 -109046.8516 298.7297 -117.9199 -93.1243 763708.0554 9.0151 8.8713 PRESSURE: 4386800 -100.365 -40.0787 34.6571 -40.0783 364.853 220.441 34.6573 220.44 53.6379 GPRESSURE: 4386800 -25.0217 -102.633 50.4892 31.4965 368.587 266.774 -178.029 240.606 43.4206 PRESSAVG: 4386800 -31.4289 -13.5053 26.2045 -13.5053 67.1562 -54.7773 26.2046 -54.7774 11.5807 GPRESSAVG: 4386800 -30.1191 -13.8556 28.6006 -13.2019 66.8405 -55.667 23.7231 -53.4803 10.8327 TIMING: 4386800 CPU: 13702.8, 0.00310099/step Wall: 13702.8, 0.00310099/step, 0.528202 hours remaining, 235.941406 MB of memory in use. ENERGY: 4386800 3987.3083 20649.4975 14556.4235 244.8296 -203572.6653 2794.4754 0.0000 0.0000 52057.2737 -109282.8572 299.1739 -161340.1309 -108925.4088 299.1583 106.0420 128.9954 762509.4243 15.7693 15.8514 PRESSURE: 4387000 -304.031 -65.9875 -147.971 -65.988 -18.0021 4.11487 -147.972 4.11558 -169.619 GPRESSURE: 4387000 -192.538 -25.4532 -220.782 31.8922 -62.7343 28.8661 -65.9696 -115.051 -141.11 PRESSAVG: 4387000 -20.7064 -0.231638 37.7693 -0.231718 34.8875 -49.1717 37.7693 -49.1717 -16.6573 GPRESSAVG: 4387000 -21.1028 -1.99061 36.6381 0.417539 35.8291 -48.5171 40.7417 -49.5667 -16.861 TIMING: 4387000 CPU: 13703.4, 0.00309242/step Wall: 13703.4, 0.00309242/step, 0.52657 hours remaining, 235.941406 MB of memory in use. ENERGY: 4387000 3973.3583 20632.5193 14483.2738 250.4454 -203488.2156 2745.7152 0.0000 0.0000 52023.3401 -109379.5635 298.9789 -161402.9036 -109018.1667 299.5688 -163.8840 -132.1274 762303.3704 -0.8254 -0.7116 PRESSURE: 4387200 -9.12306 -79.1563 127.921 -79.1552 145.946 122.27 127.921 122.269 344.967 GPRESSURE: 4387200 33.2981 66.98 59.0112 -27.3293 168.713 202.298 45.9256 127.79 383.1 PRESSAVG: 4387200 12.8641 8.75105 -22.9741 8.75101 9.48987 43.0827 -22.974 43.0826 7.10466 GPRESSAVG: 4387200 13.0941 9.52075 -24.065 8.19131 8.91047 42.3091 -23.9775 44.1451 7.38162 TIMING: 4387200 CPU: 13704, 0.00309957/step Wall: 13704, 0.00309957/step, 0.527615 hours remaining, 235.941406 MB of memory in use. ENERGY: 4387200 4009.3340 20514.9540 14362.5045 230.8304 -203847.2068 2921.4341 0.0000 0.0000 52432.7286 -109375.4211 301.3316 -161808.1497 -109011.0146 299.7749 160.5965 195.0372 761705.9429 9.8195 9.7954 PRESSURE: 4387400 -325.924 110.921 207.361 110.919 -178.926 -77.0941 207.361 -77.0942 -202.381 GPRESSURE: 4387400 -386.513 159.806 236.858 13.5717 -88.7329 -97.5198 177.109 21.4545 -154.776 PRESSAVG: 4387400 -26.9304 5.06828 29.2438 5.06822 24.9078 27.4279 29.2439 27.4278 -19.8363 GPRESSAVG: 4387400 -27.4546 4.22875 30.1534 4.36134 25.7098 28.4547 28.2177 26.4386 -20.4793 TIMING: 4387400 CPU: 13704.7, 0.00310249/step Wall: 13704.7, 0.00310249/step, 0.52794 hours remaining, 235.941406 MB of memory in use. ENERGY: 4387400 3972.2619 20562.3583 14510.2115 261.6537 -203276.3110 2439.1102 0.0000 0.0000 52130.3192 -109400.3962 299.5937 -161530.7155 -109033.6023 299.1963 -235.7437 -210.0074 761287.7098 -7.2863 -7.4081 PRESSURE: 4387600 -372.474 -112.801 83.6563 -112.801 -386.479 -133.103 83.6566 -133.102 -349.54 GPRESSURE: 4387600 -365.622 -62.3551 54.9513 -34.4734 -374.721 -26.6568 111.936 -147.54 -289.036 PRESSAVG: 4387600 -3.71109 0.922895 17.0443 0.92294 32.7959 -31.1728 17.0443 -31.1727 1.98464 GPRESSAVG: 4387600 -4.09352 3.30102 17.7278 0.541181 31.4162 -30.1467 18.2255 -31.8654 3.48066 TIMING: 4387600 CPU: 13705.3, 0.00308627/step Wall: 13705.3, 0.00308627/step, 0.525009 hours remaining, 235.941406 MB of memory in use. ENERGY: 4387600 4004.3960 20452.7710 14584.9714 259.0039 -202825.5138 2108.3353 0.0000 0.0000 52230.5918 -109185.4443 300.1699 -161416.0361 -108820.7314 299.8871 -369.4977 -343.1264 763502.3937 10.3565 10.2678 PRESSURE: 4387800 -57.0941 2.27312 267.367 2.27323 -452.494 -82.6109 267.367 -82.6105 -13.0278 GPRESSURE: 4387800 0.660151 124.974 257.634 38.7355 -419.217 -215.582 87.4822 56.461 -27.8463 PRESSAVG: 4387800 26.3958 13.3806 -12.9375 13.3806 -82.8613 27.0758 -12.9375 27.0757 -4.8237 GPRESSAVG: 4387800 25.9382 12.4973 -14.013 15.2185 -81.9456 24.9728 -13.7 27.911 -5.75641 TIMING: 4387800 CPU: 13705.9, 0.0030969/step Wall: 13705.9, 0.0030969/step, 0.526645 hours remaining, 235.941406 MB of memory in use. ENERGY: 4387800 4026.7820 20603.6145 14496.3648 231.2273 -203080.8985 2506.3186 0.0000 0.0000 52056.1580 -109160.4332 299.1675 -161216.5912 -108802.1970 299.3573 -174.2055 -148.8011 761377.9753 -20.4297 -20.5880 PRESSURE: 4388000 43.7969 250.217 26.3674 250.218 -327.85 118.458 26.368 118.458 -68.9205 GPRESSURE: 4388000 -3.29182 273.691 -24.0382 218.547 -252.795 80.5934 89.773 28.4007 -23.3084 PRESSAVG: 4388000 23.3608 40.4062 -18.0867 40.4062 -41.1026 -57.6839 -18.0866 -57.6839 19.6359 GPRESSAVG: 4388000 24.147 41.0957 -17.6455 39.7128 -41.1815 -56.1217 -18.2542 -59.1438 19.3182 TIMING: 4388000 CPU: 13706.5, 0.0031063/step Wall: 13706.5, 0.0031063/step, 0.528071 hours remaining, 235.941406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4388000 3992.2769 20727.6529 14526.7912 245.1200 -203498.9493 2703.7227 0.0000 0.0000 52224.6238 -109078.7618 300.1356 -161303.3856 -108724.6405 299.9393 -117.6580 -93.1316 762188.4757 0.6314 0.7612 PRESSURE: 4388200 313.495 -157.052 12.0208 -157.051 -243.046 -155.742 12.0197 -155.743 94.6498 GPRESSURE: 4388200 246.468 -179.97 15.7699 -132.537 -94.8466 -127.07 31.5636 -136.058 95.2325 PRESSAVG: 4388200 25.4394 48.9227 -48.1343 48.9226 -49.2673 -22.6959 -48.1344 -22.696 13.6755 GPRESSAVG: 4388200 25.4855 50.3634 -50.1498 46.4843 -49.975 -22.6824 -46.7425 -20.0624 14.1691 TIMING: 4388200 CPU: 13707.1, 0.00310144/step Wall: 13707.1, 0.00310144/step, 0.527072 hours remaining, 235.941406 MB of memory in use. ENERGY: 4388200 3933.7854 20655.3425 14540.8179 242.1194 -203176.3172 2617.9227 0.0000 0.0000 52009.2510 -109177.0783 298.8979 -161186.3293 -108819.8420 299.3520 55.0329 82.2848 761848.9358 -3.3841 -3.4401 LDB: ============= START OF LOAD BALANCING ============== 13719.6 LDB: ============== END OF LOAD BALANCING =============== 13719.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13719.6 LDB: ============= START OF LOAD BALANCING ============== 13719.9 LDB: Largest compute 7026 load 0.032355 is 16.6% of average load 0.195256 LDB: Average compute 0.004413 is 2.3% of average load 0.195256 LDB: TIME 13719.9 LOAD: AVG 0.195256 MAX 0.214672 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.316 MB LDB: TIME 13719.9 LOAD: AVG 0.195256 MAX 0.214672 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.391 MB LDB: TIME 13719.9 LOAD: AVG 0.195256 MAX 0.214672 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.391 MB LDB: ============== END OF LOAD BALANCING =============== 13719.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13719.9 PRESSURE: 4388400 170.252 18.7095 -125.839 18.7098 -149.652 166.324 -125.839 166.323 169.442 GPRESSURE: 4388400 60.658 16.6412 -110.438 7.16885 -2.10837 111.094 -149.954 73.3507 229.699 PRESSAVG: 4388400 15.9115 -0.106606 -28.978 -0.106579 -28.1906 29.2697 -28.9781 29.2697 -4.85792 GPRESSAVG: 4388400 13.7206 -2.5877 -26.7947 1.68482 -27.3637 29.8782 -33.5353 25.448 -3.9139 TIMING: 4388400 CPU: 13707.8, 0.00315767/step Wall: 13707.8, 0.00315767/step, 0.536454 hours remaining, 235.144531 MB of memory in use. ENERGY: 4388400 4087.6569 20561.1517 14581.4089 235.5394 -203005.0463 2483.9153 0.0000 0.0000 51828.5909 -109226.7832 297.8596 -161055.3741 -108879.2716 299.6773 63.3475 96.0830 761760.6570 -5.7123 -5.8523 PRESSURE: 4388600 -236.804 15.3359 -35.9732 15.3347 160.838 -30.6675 -35.9731 -30.6695 376.909 GPRESSURE: 4388600 -110.668 82.1354 -54.8852 -4.26598 76.0818 -2.77121 64.317 -58.0854 429.216 PRESSAVG: 4388600 40.4392 11.9525 -10.7194 11.9525 -33.5103 -15.8656 -10.7194 -15.8656 -5.59913 GPRESSAVG: 4388600 41.6509 13.2413 -13.3159 11.3564 -34.0894 -16.6024 -5.07721 -11.8531 -6.02565 TIMING: 4388600 CPU: 13708.4, 0.00310656/step Wall: 13708.4, 0.00310656/step, 0.527598 hours remaining, 235.472656 MB of memory in use. ENERGY: 4388600 3953.2628 20588.9066 14514.7458 237.0037 -202878.1169 2673.2073 0.0000 0.0000 51868.9671 -109042.0236 298.0917 -160910.9906 -108680.6236 299.6892 100.3144 131.5435 762069.5578 0.4433 0.5119 PRESSURE: 4388800 -239.679 -105.314 101.064 -105.315 -99.4471 36.1452 101.065 36.1459 -154.126 GPRESSURE: 4388800 -271.288 -53.2814 74.7686 -175.688 -67.2055 80.4328 -2.22953 20.2841 -73.2305 PRESSAVG: 4388800 42.9957 16.6711 -19.7012 16.6711 29.9135 -32.9547 -19.7012 -32.9546 3.34798 GPRESSAVG: 4388800 42.6797 14.1621 -19.4231 19.2683 30.6081 -33.3596 -23.0762 -35.0717 2.63601 TIMING: 4388800 CPU: 13709, 0.00310001/step Wall: 13709, 0.00310001/step, 0.526314 hours remaining, 235.472656 MB of memory in use. ENERGY: 4388800 4064.4267 20683.3467 14495.9328 255.1977 -203112.3644 2513.5727 0.0000 0.0000 52010.1536 -109089.7342 298.9031 -161099.8878 -108742.2431 299.8012 -164.4173 -137.2413 762373.9059 25.4191 25.3079 PRESSURE: 4389000 -198.292 143.026 17.5418 143.027 124.208 -228.382 17.542 -228.383 108.528 GPRESSURE: 4389000 -235.157 167.528 -6.13479 162.375 166.727 -152.386 -23.8067 -193.264 198.514 PRESSAVG: 4389000 24.2752 60.5121 -10.4679 60.5121 46.6781 16.179 -10.4679 16.179 15.7243 GPRESSAVG: 4389000 23.5067 62.918 -9.89278 57.2909 47.4992 17.4756 -8.35963 15.5032 15.3377 TIMING: 4389000 CPU: 13709.6, 0.00307783/step Wall: 13709.6, 0.00307782/step, 0.522375 hours remaining, 235.472656 MB of memory in use. ENERGY: 4389000 4040.3754 20651.2181 14436.5424 244.4059 -203320.1671 2750.3470 0.0000 0.0000 52117.5344 -109079.7439 299.5202 -161197.2783 -108720.5444 299.5653 11.4813 43.3614 761110.7886 28.8925 28.7812 PRESSURE: 4389200 149.849 -53.8565 -104.942 -53.8556 364.318 -109.666 -104.943 -109.666 403.479 GPRESSURE: 4389200 241.092 -56.8317 -94.0489 86.3445 319.68 -114.583 -30.7046 -33.6257 451.253 PRESSAVG: 4389200 -17.7582 0.645884 43.5144 0.645836 5.98898 -12.6625 43.5145 -12.6625 28.1436 GPRESSAVG: 4389200 -16.503 1.55235 43.5679 -0.25382 4.26522 -14.3007 43.5358 -9.02237 28.6925 TIMING: 4389200 CPU: 13710.2, 0.00310278/step Wall: 13710.2, 0.00310278/step, 0.526438 hours remaining, 235.472656 MB of memory in use. ENERGY: 4389200 4062.2686 20477.6820 14418.6978 243.4437 -203077.3489 2752.8506 0.0000 0.0000 52162.8973 -108959.5089 299.7809 -161122.4062 -108597.2583 299.9925 305.8819 337.3415 760551.8631 5.4582 5.4849 PRESSURE: 4389400 -146.143 -13.4658 362.052 -13.4662 -110.495 51.7098 362.051 51.7118 77.0176 GPRESSURE: 4389400 -112.588 2.38936 358.485 -48.6925 2.76453 54.2488 298.299 71.5175 4.21651 PRESSAVG: 4389400 -33.9269 1.35618 12.0074 1.35619 54.5772 -13.3291 12.0073 -13.3292 -1.17837 GPRESSAVG: 4389400 -34.3538 -0.315252 11.6948 4.18192 53.9034 -13.2653 9.04159 -16.1791 -0.285454 TIMING: 4389400 CPU: 13710.9, 0.00310397/step Wall: 13710.9, 0.00310397/step, 0.526468 hours remaining, 235.671875 MB of memory in use. ENERGY: 4389400 3968.7657 20453.0839 14520.5182 249.6302 -202799.6894 2529.1239 0.0000 0.0000 52101.5793 -108976.9882 299.4285 -161078.5675 -108600.9372 300.3147 -59.8736 -35.2023 762485.4030 6.4906 6.4214 PRESSURE: 4389600 -92.6134 1.47605 0.829235 1.47675 54.8268 154.371 0.828965 154.371 -80.4196 GPRESSURE: 4389600 -7.92358 -19.4941 -11.4107 68.0808 80.1594 97.0722 99.2894 284.083 -112.06 PRESSAVG: 4389600 -15.9695 -25.5137 -4.46598 -25.5137 22.2688 -5.78165 -4.46596 -5.78164 10.4358 GPRESSAVG: 4389600 -16.8983 -26.0998 -2.73519 -27.6432 23.6927 -6.03861 -5.00738 -2.30398 9.90242 TIMING: 4389600 CPU: 13711.5, 0.00309578/step Wall: 13711.5, 0.00309578/step, 0.524907 hours remaining, 235.671875 MB of memory in use. ENERGY: 4389600 4025.1024 20554.8057 14504.5789 240.1858 -202925.7364 2386.3013 0.0000 0.0000 52259.3714 -108955.3908 300.3353 -161214.7622 -108593.4442 300.1895 -39.4021 -13.2748 762441.7124 5.5784 5.5656 PRESSURE: 4389800 126.249 -87.8613 -15.0227 -87.862 15.7632 -17.6024 -15.0224 -17.603 246.536 GPRESSURE: 4389800 208.283 -30.5428 -51.2278 -79.0088 -7.6435 -52.7071 115.733 -114.447 293.067 PRESSAVG: 4389800 4.54948 8.99875 -48.2586 8.99877 9.15153 33.7716 -48.2586 33.7716 2.70424 GPRESSAVG: 4389800 5.78638 7.46824 -48.0071 10.6131 9.07975 34.0472 -47.5643 30.0658 2.22942 TIMING: 4389800 CPU: 13712.1, 0.00308494/step Wall: 13712.1, 0.00308494/step, 0.522898 hours remaining, 235.671875 MB of memory in use. ENERGY: 4389800 3971.0900 20675.5819 14466.2577 254.0869 -203336.1353 2768.7619 0.0000 0.0000 52192.1254 -109008.2315 299.9489 -161200.3569 -108652.8447 299.6233 129.5160 164.5689 760575.9046 5.4684 5.6985 PRESSURE: 4390000 -221.5 42.0599 -255.248 42.0594 170.271 -62.6595 -255.248 -62.6604 34.8343 GPRESSURE: 4390000 -204.608 131.607 -69.1544 -0.486823 214.104 -32.7409 -362.497 -59.5736 78.4725 PRESSAVG: 4390000 25.6149 6.04164 -10.952 6.04161 7.46694 49.1816 -10.952 49.1814 10.1165 GPRESSAVG: 4390000 24.6628 11.6357 -11.5859 2.09326 7.427 49.0758 -9.58015 50.3978 10.6993 TIMING: 4390000 CPU: 13712.7, 0.00309355/step Wall: 13712.7, 0.00309355/step, 0.524185 hours remaining, 235.671875 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: 4390000 4019.4568 20534.9099 14433.1107 234.3305 -203205.9233 2662.7168 0.0000 0.0000 52135.3378 -109186.0609 299.6225 -161321.3987 -108814.4013 299.6767 -5.4649 29.3226 760932.0816 14.3994 14.2630 PRESSURE: 4390200 46.2023 -100.505 -116.412 -100.504 -359.932 262.662 -116.412 262.661 432.402 GPRESSURE: 4390200 100.613 -239.998 -136.515 -124.033 -345.231 263.577 -134.085 232.77 458.175 PRESSAVG: 4390200 2.52061 20.3011 25.6083 20.3011 -22.5309 -2.30019 25.6083 -2.30027 2.67648 GPRESSAVG: 4390200 3.50965 16.6119 24.3115 24.7512 -22.4007 -2.01972 24.4339 -2.50681 2.33319 TIMING: 4390200 CPU: 13713.3, 0.00309434/step Wall: 13713.3, 0.00309434/step, 0.524147 hours remaining, 235.671875 MB of memory in use. ENERGY: 4390200 3982.3265 20555.0860 14433.2236 254.7890 -203356.7171 2647.7904 0.0000 0.0000 51960.0990 -109523.4028 298.6154 -161483.5018 -109164.6505 299.0236 39.5575 71.1859 761890.0413 -5.7779 -5.5193 PRESSURE: 4390400 -220.615 -70.762 78.1507 -70.762 -162.803 -108.865 78.1507 -108.863 187.837 GPRESSURE: 4390400 -254.5 -50.3732 62.5629 -26.6892 -44.7421 -19.4441 24.8872 -101.547 182.929 PRESSAVG: 4390400 -47.1454 -35.3551 19.8752 -35.3551 36.1198 6.24387 19.8753 6.24389 8.36356 GPRESSAVG: 4390400 -47.9882 -35.6889 20.3506 -37.0265 38.1036 8.07527 21.9275 6.71803 6.96157 TIMING: 4390400 CPU: 13714, 0.00308856/step Wall: 13714, 0.00308856/step, 0.522997 hours remaining, 235.660156 MB of memory in use. ENERGY: 4390400 3951.5742 20336.5761 14540.2535 271.4161 -203485.1033 2695.4808 0.0000 0.0000 52044.6197 -109645.1827 299.1011 -161689.8024 -109274.2818 298.7018 -65.1936 -38.7711 762110.3210 -0.8873 -0.9744 PRESSURE: 4390600 -212.857 38.4332 -67.4936 38.4339 -139.285 -97.3529 -67.4945 -97.3523 116.365 GPRESSURE: 4390600 -160.896 -52.3443 -107.37 27.436 -153.389 -113.257 -51.8873 -41.7072 140.447 PRESSAVG: 4390600 -24.5139 -33.2795 29.3434 -33.2795 22.2715 -37.9695 29.3433 -37.9694 27.4604 GPRESSAVG: 4390600 -24.3742 -32.8099 29.1601 -33.384 21.429 -40.1421 28.5269 -36.8029 28.2943 TIMING: 4390600 CPU: 13714.6, 0.00308358/step Wall: 13714.6, 0.00308358/step, 0.521982 hours remaining, 235.660156 MB of memory in use. ENERGY: 4390600 3965.7455 20571.4915 14458.1953 253.9757 -203493.9356 2613.4364 0.0000 0.0000 51992.4729 -109638.6184 298.8015 -161631.0912 -109281.4776 298.4020 -78.5923 -57.9460 761725.0384 8.4060 8.4497 PRESSURE: 4390800 373.721 -140.49 -103.539 -140.489 232.43 121.277 -103.538 121.277 25.8941 GPRESSURE: 4390800 476.134 -96.9482 -195.433 -67.5144 264.432 33.2531 -107.823 161.093 -28.7216 PRESSAVG: 4390800 -67.0646 -71.2908 -28.5568 -71.2908 53.2073 -19.6632 -28.5568 -19.6632 -24.4297 GPRESSAVG: 4390800 -66.0887 -71.386 -28.2771 -72.7562 52.2349 -21.5942 -28.0455 -19.8535 -24.7378 TIMING: 4390800 CPU: 13715.2, 0.0030785/step Wall: 13715.2, 0.0030785/step, 0.52095 hours remaining, 235.660156 MB of memory in use. ENERGY: 4390800 4036.0887 20617.0201 14477.3934 246.2394 -203902.6961 3023.3704 0.0000 0.0000 51982.8054 -109519.7787 298.7459 -161502.5841 -109167.3965 298.7481 210.6816 237.2814 760067.8435 -12.7623 -12.8639 PRESSURE: 4391000 112.851 -108.154 -54.2751 -108.154 427.981 -35.3269 -54.276 -35.3272 144.151 GPRESSURE: 4391000 110.085 -223.388 -7.54728 -154.022 479.67 27.754 -40.9779 16.1961 193.174 PRESSAVG: 4391000 -41.2144 -26.2674 34.9471 -26.2674 56.3215 -10.2192 34.9471 -10.2192 14.0593 GPRESSAVG: 4391000 -43.7691 -26.4291 34.3214 -25.6954 57.1846 -7.87468 34.4826 -11.3169 15.5117 TIMING: 4391000 CPU: 13715.8, 0.00309174/step Wall: 13715.8, 0.00309174/step, 0.523019 hours remaining, 235.875000 MB of memory in use. ENERGY: 4391000 3950.8078 20506.4698 14446.8453 247.7052 -203654.8272 2998.6708 0.0000 0.0000 51815.4992 -109688.8291 297.7844 -161504.3283 -109327.3588 298.4278 228.3279 260.9762 762672.4823 9.7221 9.6424 PRESSURE: 4391200 163.54 -45.8565 -103.795 -45.8563 -39.0799 -142.06 -103.795 -142.06 161.579 GPRESSURE: 4391200 209.467 22.853 -216.956 -131.412 92.3438 -112.992 5.6234 -177.119 86.1026 PRESSAVG: 4391200 -24.0852 -36.4714 -3.46208 -36.4714 -8.96308 2.4649 -3.46205 2.46496 16.9523 GPRESSAVG: 4391200 -22.2791 -34.6048 -3.20178 -37.9441 -9.63405 0.997349 -1.61155 2.88938 15.8445 TIMING: 4391200 CPU: 13716.4, 0.00308318/step Wall: 13716.4, 0.00308318/step, 0.5214 hours remaining, 235.875000 MB of memory in use. ENERGY: 4391200 3973.7964 20523.1021 14390.4209 236.9548 -203750.3412 3092.1886 0.0000 0.0000 51973.9693 -109559.9091 298.6951 -161533.8784 -109190.4740 297.9633 95.3464 129.3045 761338.7485 -5.3653 -5.3562 PRESSURE: 4391400 259.637 -64.1012 131.829 -64.1019 123.3 261.611 131.829 261.611 -54.8 GPRESSURE: 4391400 344.629 31.4228 111.223 -120.12 43.2163 187.224 157.34 274.964 17.1457 PRESSAVG: 4391400 -5.8725 17.7043 24.2044 17.7043 15.3057 -27.9168 24.2044 -27.9169 8.87062 GPRESSAVG: 4391400 -6.28072 16.1977 25.3392 19.5231 15.0629 -26.5963 22.0736 -28.9807 9.26934 TIMING: 4391400 CPU: 13717, 0.00309721/step Wall: 13717, 0.00309721/step, 0.523601 hours remaining, 235.875000 MB of memory in use. ENERGY: 4391400 3984.6128 20515.2930 14436.3717 246.8977 -203279.8109 2385.1310 0.0000 0.0000 51943.4306 -109768.0740 298.5196 -161711.5046 -109418.2052 298.6220 109.3792 134.9972 761165.1896 6.1013 6.0172 PRESSURE: 4391600 -110.561 -241.471 202.191 -241.471 251.4 -184.695 202.192 -184.694 -272.877 GPRESSURE: 4391600 -48.8988 -127.239 65.9416 -217.457 299.514 -143.74 119.115 -195.824 -313.08 PRESSAVG: 4391600 -24.1092 -30.3708 1.61015 -30.3708 48.8247 40.9478 1.61019 40.9479 21.3028 GPRESSAVG: 4391600 -23.6745 -30.4301 -0.52593 -29.965 48.9062 40.7375 2.68843 40.7953 21.0748 TIMING: 4391600 CPU: 13717.7, 0.00308489/step Wall: 13717.7, 0.00308489/step, 0.521347 hours remaining, 235.875000 MB of memory in use. ENERGY: 4391600 3984.0709 20456.9054 14475.1711 245.7013 -203523.2625 2842.7179 0.0000 0.0000 51846.8004 -109671.8956 297.9643 -161518.6960 -109312.8134 298.1496 -44.0126 -20.8216 761502.0600 15.3394 15.4355 PRESSURE: 4391800 -13.7133 -183.893 -37.4026 -183.892 -146.434 117.534 -37.403 117.533 -215.737 GPRESSURE: 4391800 -55.2301 -214.614 -8.0376 -107.148 -51.7305 49.7918 46.9973 77.2014 -174.511 PRESSAVG: 4391800 26.7194 -47.7457 22.2196 -47.7457 -1.23971 22.2144 22.2196 22.2143 16.6648 GPRESSAVG: 4391800 28.1445 -48.0771 23.1872 -47.4121 -2.32207 21.0795 21.51 24.4173 16.1793 TIMING: 4391800 CPU: 13718.3, 0.00309692/step Wall: 13718.3, 0.00309692/step, 0.523207 hours remaining, 235.875000 MB of memory in use. ENERGY: 4391800 3926.1880 20563.6422 14483.3660 252.5597 -203455.2913 2780.9924 0.0000 0.0000 52137.7643 -109310.7787 299.6364 -161448.5429 -108945.4782 299.0288 -125.2948 -93.8238 761799.8959 14.0482 14.0006 PRESSURE: 4392000 -65.7097 -39.1272 76.4663 -39.1264 113.327 -101.627 76.4655 -101.626 401.969 GPRESSURE: 4392000 -25.7374 -17.1019 96.926 -35.3055 218.502 -73.493 44.7086 -12.9183 347.745 PRESSAVG: 4392000 -38.8367 -24.8287 12.9847 -24.8287 49.6182 29.8071 12.9847 29.8071 0.840236 GPRESSAVG: 4392000 -40.4798 -24.4439 12.2783 -23.5999 51.3459 31.3456 14.9186 28.4405 0.674586 TIMING: 4392000 CPU: 13718.9, 0.00309104/step Wall: 13718.9, 0.00309104/step, 0.522042 hours remaining, 235.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4392000 4004.3957 20358.9270 14525.0691 249.5855 -203419.2657 2850.5943 0.0000 0.0000 52193.5625 -109237.1316 299.9571 -161430.6941 -108870.2015 299.2124 149.8620 180.1698 761574.3902 3.8739 3.8469 PRESSURE: 4392200 -283.579 227.055 224.093 227.055 -434.083 -239.22 224.093 -239.22 -192.792 GPRESSURE: 4392200 -154.498 239.696 185.21 156.846 -427.423 -181.347 137.87 -288.306 -250.982 PRESSAVG: 4392200 -3.72358 -45.403 -7.85633 -45.403 17.698 -12.0903 -7.85627 -12.0903 17.7491 GPRESSAVG: 4392200 -2.72748 -42.7663 -6.59463 -48.9442 17.1655 -13.3535 -11.1398 -12.3547 17.542 TIMING: 4392200 CPU: 13719.5, 0.00309265/step Wall: 13719.5, 0.00309265/step, 0.522143 hours remaining, 235.875000 MB of memory in use. ENERGY: 4392200 4013.5071 20662.6681 14524.9423 252.8621 -203086.4308 2505.6672 0.0000 0.0000 51812.3494 -109314.4346 297.7663 -161126.7841 -108954.6872 299.2179 -303.4847 -277.6346 763710.9863 10.5745 10.6600 LDB: ============= START OF LOAD BALANCING ============== 13732 LDB: ============== END OF LOAD BALANCING =============== 13732 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13732 LDB: ============= START OF LOAD BALANCING ============== 13732.3 LDB: Largest compute 7026 load 0.032340 is 16.6% of average load 0.195220 LDB: Average compute 0.004410 is 2.3% of average load 0.195220 LDB: TIME 13732.3 LOAD: AVG 0.19522 MAX 0.215217 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.527 MB LDB: TIME 13732.3 LOAD: AVG 0.19522 MAX 0.215217 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.727 MB LDB: TIME 13732.3 LOAD: AVG 0.19522 MAX 0.215217 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.727 MB LDB: ============== END OF LOAD BALANCING =============== 13732.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13732.3 PRESSURE: 4392400 -436.55 -56.5566 225.441 -56.5569 -27.9769 160.065 225.441 160.064 -533.165 GPRESSURE: 4392400 -375.289 -90.6995 241.761 -116.346 -44.3084 209.826 273.225 -9.72044 -491.005 PRESSAVG: 4392400 -20.9316 -7.18793 30.5017 -7.18792 0.368559 1.00332 30.5016 1.00337 16.002 GPRESSAVG: 4392400 -20.8667 -11.7274 31.9174 -4.5577 -0.585678 1.65728 33.0104 -0.411329 16.0834 TIMING: 4392400 CPU: 13720.1, 0.0031484/step Wall: 13720.1, 0.0031484/step, 0.531379 hours remaining, 234.375000 MB of memory in use. ENERGY: 4392400 3937.6112 20478.0339 14520.8287 265.5586 -203091.5392 2502.5534 0.0000 0.0000 52343.4574 -109043.4962 300.8186 -161386.9535 -108669.9928 299.0248 -332.5639 -303.5342 763621.4991 -1.5203 -1.7897 PRESSURE: 4392600 114.036 -23.9025 347.675 -23.9025 175.716 -19.8263 347.675 -19.8265 98.3693 GPRESSURE: 4392600 142.61 -53.6253 287.089 -61.9089 250.086 -3.91251 182.154 15.1531 84.1178 PRESSAVG: 4392600 25.8167 -25.443 18.0147 -25.443 23.9532 -9.0146 18.0148 -9.01457 -2.05169 GPRESSAVG: 4392600 26.6128 -27.3596 16.6631 -23.6227 23.3007 -7.92869 15.6442 -7.74542 -1.85799 TIMING: 4392600 CPU: 13720.8, 0.0030828/step Wall: 13720.8, 0.00308279/step, 0.520136 hours remaining, 234.375000 MB of memory in use. ENERGY: 4392600 3879.3123 20424.1259 14503.6881 232.8248 -203137.9562 2957.9858 0.0000 0.0000 52269.2846 -108870.7346 300.3923 -161140.0192 -108504.0119 299.5817 129.3740 158.9382 761893.5097 15.9061 16.0185 PRESSURE: 4392800 -30.4954 124.291 120.127 124.291 -158.11 28.3848 120.126 28.3851 -42.4132 GPRESSURE: 4392800 29.4163 111.622 99.5974 112.392 -128.179 4.26482 73.1467 73.1406 -44.6921 PRESSAVG: 4392800 35.9987 -24.3629 -4.4425 -24.3629 -22.7569 2.58402 -4.44253 2.58409 -5.35128 GPRESSAVG: 4392800 34.7666 -19.6533 -4.58128 -26.0519 -22.6963 1.54367 -4.11179 2.85005 -4.18769 TIMING: 4392800 CPU: 13721.4, 0.00308583/step Wall: 13721.4, 0.00308583/step, 0.520477 hours remaining, 234.566406 MB of memory in use. ENERGY: 4392800 3943.2002 20405.9699 14480.6599 249.2378 -203089.0792 2643.5546 0.0000 0.0000 52491.1656 -108875.2913 301.6675 -161366.4569 -108512.6306 299.9528 -77.0063 -47.8183 762428.1190 2.6302 2.6275 PRESSURE: 4393000 -427.42 -135.922 36.4517 -135.922 -216.627 33.8869 36.452 33.8862 -129.596 GPRESSURE: 4393000 -283.208 -189.283 -42.1753 -106.111 -251.96 77.2478 -84.2086 56.6871 -148.882 PRESSAVG: 4393000 -13.2031 3.56893 -28.8596 3.56894 -17.7422 51.6507 -28.8597 51.6508 4.81149 GPRESSAVG: 4393000 -12.1938 1.96595 -28.9071 4.28438 -18.0779 51.4248 -27.8398 50.2516 3.43024 TIMING: 4393000 CPU: 13722, 0.00310488/step Wall: 13722, 0.00310488/step, 0.523518 hours remaining, 234.566406 MB of memory in use. ENERGY: 4393000 4022.2097 20416.1965 14466.5505 232.7083 -202676.8752 2574.9224 0.0000 0.0000 52013.6543 -108950.6336 298.9232 -160964.2878 -108592.9943 300.5456 -257.8812 -228.0166 763017.3215 -8.7113 -8.9472 PRESSURE: 4393200 -34.9615 63.8162 -257.012 63.8159 113.184 -99.7875 -257.012 -99.7883 32.2297 GPRESSURE: 4393200 -59.4701 12.5812 -297.351 58.5361 122.006 -110.042 -204.518 -84.7628 123.671 PRESSAVG: 4393200 -65.6591 -45.7334 -14.6724 -45.7333 67.7884 20.4374 -14.6723 20.4374 11.0261 GPRESSAVG: 4393200 -66.2616 -45.649 -15.0939 -47.1253 69.2616 21.0858 -14.6291 19.9037 10.635 TIMING: 4393200 CPU: 13722.6, 0.00309549/step Wall: 13722.6, 0.00309549/step, 0.521762 hours remaining, 234.566406 MB of memory in use. ENERGY: 4393200 3925.3022 20464.5039 14453.2032 249.8386 -203216.8566 2591.0111 0.0000 0.0000 52483.2301 -109049.7675 301.6218 -161532.9975 -108685.7568 299.9520 36.8173 62.0691 762837.6033 4.3851 4.5450 PRESSURE: 4393400 -189.211 -79.5916 -97.9687 -79.5916 27.6284 13.1644 -97.9699 13.1638 213.992 GPRESSURE: 4393400 -129.409 33.1265 -82.364 -95.3876 43.0106 -69.1008 -41.046 36.5715 224.673 PRESSAVG: 4393400 -33.8664 -24.7255 26.1841 -24.7255 20.6906 18.5127 26.1843 18.5127 -17.2526 GPRESSAVG: 4393400 -33.6948 -24.2845 26.0396 -25.4446 20.4659 16.9894 25.4632 19.1353 -16.2827 TIMING: 4393400 CPU: 13723.2, 0.00311238/step Wall: 13723.2, 0.00311238/step, 0.524436 hours remaining, 234.566406 MB of memory in use. ENERGY: 4393400 4034.0107 20469.8694 14434.0776 243.3134 -203136.1664 2582.8753 0.0000 0.0000 51973.9717 -109398.0483 298.6951 -161372.0200 -109037.6192 299.1772 17.4699 46.0913 763124.5872 -10.1428 -9.8372 PRESSURE: 4393600 76.3628 -110.997 -76.879 -110.996 280.354 99.0033 -76.8796 99.0035 -99.6361 GPRESSURE: 4393600 89.8026 -24.8684 7.10528 -236.764 317.736 87.2829 -98.1435 22.035 -55.8245 PRESSAVG: 4393600 -81.6302 -1.66652 -19.462 -1.6665 48.9453 13.0727 -19.462 13.0728 -15.681 GPRESSAVG: 4393600 -81.7257 -1.48754 -18.5181 -1.51989 49.0881 13.766 -18.235 14.6115 -16.0851 TIMING: 4393600 CPU: 13723.9, 0.00311116/step Wall: 13723.9, 0.00311116/step, 0.524057 hours remaining, 234.769531 MB of memory in use. ENERGY: 4393600 3973.9310 20452.8860 14500.7329 227.7426 -203328.2430 2712.4778 0.0000 0.0000 52116.0506 -109344.4220 299.5117 -161460.4725 -108981.4900 299.2324 85.6936 117.2380 762354.4865 -16.1220 -16.2409 PRESSURE: 4393800 -87.0961 -335.537 105.301 -335.538 18.4437 26.7626 105.301 26.7624 508.469 GPRESSURE: 4393800 28.8156 -242.516 121.458 -226.707 -21.8882 11.3944 82.7325 131.541 520.562 PRESSAVG: 4393800 -35.579 -54.9761 -31.1185 -54.976 66.6301 26.2789 -31.1185 26.2788 26.9469 GPRESSAVG: 4393800 -35.6678 -56.7288 -29.3159 -53.3157 66.4421 26.658 -35.6199 26.2254 27.4308 TIMING: 4393800 CPU: 13724.5, 0.00311924/step Wall: 13724.5, 0.00311924/step, 0.525246 hours remaining, 234.769531 MB of memory in use. ENERGY: 4393800 3918.7293 20667.9755 14521.1009 242.4226 -203462.0469 2712.8910 0.0000 0.0000 51927.0399 -109471.8877 298.4254 -161398.9276 -109114.6190 299.0695 146.6056 175.8299 763132.3857 19.3327 19.4017 PRESSURE: 4394000 -266.014 115.98 -211.662 115.981 -18.8254 -288.759 -211.662 -288.759 -170.332 GPRESSURE: 4394000 -222.214 115.688 -194.872 14.8488 -33.0772 -324.519 -95.6108 -134.059 -125.258 PRESSAVG: 4394000 -35.3105 -18.9797 53.385 -18.9797 -1.51273 50.9532 53.385 50.9532 12.723 GPRESSAVG: 4394000 -35.5895 -17.9257 49.7037 -19.7104 -0.00570256 50.5595 56.1539 50.8848 11.43 TIMING: 4394000 CPU: 13725.1, 0.00312603/step Wall: 13725.1, 0.00312603/step, 0.526214 hours remaining, 234.769531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4394000 4057.8020 20510.5716 14437.9255 260.0452 -203132.5741 2672.7244 0.0000 0.0000 51977.9660 -109215.5395 298.7181 -161193.5055 -108858.5860 299.3389 -151.7238 -126.8498 763882.8634 -8.0334 -8.0551 PRESSURE: 4394200 -11.0322 -181.511 -8.54336 -181.511 -183.065 -28.5124 -8.54352 -28.5102 -55.0162 GPRESSURE: 4394200 -36.4795 -210.661 2.37411 -146.762 -67.7738 -39.5335 -32.1457 -38.8945 -61.1784 PRESSAVG: 4394200 -24.0432 -84.6555 -33.1121 -84.6554 6.91836 21.9688 -33.1121 21.9688 -4.82331 GPRESSAVG: 4394200 -24.0784 -83.3755 -31.1232 -83.8554 6.96561 22.8788 -32.8565 22.3074 -4.70153 TIMING: 4394200 CPU: 13725.7, 0.00310329/step Wall: 13725.7, 0.00310329/step, 0.522215 hours remaining, 234.769531 MB of memory in use. ENERGY: 4394200 3944.7511 20392.5239 14443.8619 243.9429 -203173.9815 2724.3750 0.0000 0.0000 52084.6560 -109339.8707 299.3312 -161424.5267 -108970.7697 299.9203 -83.0376 -55.1439 763658.7104 -7.3161 -7.2714 PRESSURE: 4394400 -372.096 -209.653 9.27458 -209.653 -410.801 156.185 9.27412 156.186 -233.548 GPRESSURE: 4394400 -348.703 -158.156 51.9549 -201.705 -362.285 244.169 -220.869 22.5235 -212.63 PRESSAVG: 4394400 4.32031 -78.8748 -50.7284 -78.8748 -5.35121 8.0624 -50.7285 8.06247 4.92375 GPRESSAVG: 4394400 3.59832 -78.1675 -51.2693 -78.292 -5.4105 9.19385 -51.4283 6.95456 5.52618 TIMING: 4394400 CPU: 13726.4, 0.00308587/step Wall: 13726.4, 0.00308587/step, 0.519112 hours remaining, 234.769531 MB of memory in use. ENERGY: 4394400 4073.6648 20397.8444 14473.8991 241.7573 -203091.9766 2544.4671 0.0000 0.0000 52173.9774 -109186.3665 299.8446 -161360.3439 -108832.1151 299.4855 -338.8148 -307.8727 761482.7497 1.2976 1.2380 PRESSURE: 4394600 349.165 55.1724 7.93729 55.1719 266.298 62.4494 7.9368 62.4511 126.908 GPRESSURE: 4394600 345.151 6.48418 -31.9485 86.5982 319.996 162.564 92.0023 -71.6895 171.118 PRESSAVG: 4394600 -19.9392 -15.4659 -24.338 -15.4658 37.2664 53.3315 -24.338 53.3315 10.0615 GPRESSAVG: 4394600 -19.164 -18.0398 -23.4278 -17.9246 37.3771 52.7411 -25.5401 52.0768 9.47408 TIMING: 4394600 CPU: 13727, 0.00309995/step Wall: 13727, 0.00309995/step, 0.521309 hours remaining, 234.769531 MB of memory in use. ENERGY: 4394600 3916.0413 20538.4918 14465.1788 252.9064 -203304.5190 2847.9639 0.0000 0.0000 52097.6156 -109186.3212 299.4057 -161283.9368 -108829.3628 299.7058 247.4567 278.7550 761749.6628 9.1295 9.2291 PRESSURE: 4394800 -103.483 -34.4914 77.7169 -34.4916 -250.01 74.6534 77.7165 74.6528 -13.3806 GPRESSURE: 4394800 -52.5026 74.9999 57.4308 -14.747 -187.628 110.209 106.241 100.094 -24.0077 PRESSAVG: 4394800 -12.0576 39.7511 1.2775 39.7511 10.5937 -9.29411 1.27748 -9.29418 -6.65288 GPRESSAVG: 4394800 -13.1807 38.8845 0.220621 42.4503 10.8402 -9.76028 2.57078 -6.86237 -5.56453 TIMING: 4394800 CPU: 13727.6, 0.0031001/step Wall: 13727.6, 0.0031001/step, 0.521161 hours remaining, 234.769531 MB of memory in use. ENERGY: 4394800 4058.2904 20416.7159 14479.8293 236.3699 -203070.6604 2596.9775 0.0000 0.0000 52013.0007 -109269.4767 298.9194 -161282.4774 -108913.7418 299.5405 -122.2912 -88.0460 763021.5460 -2.7056 -2.6350 PRESSURE: 4395000 -43.7742 62.1201 99.2193 62.1201 -196.036 16.3919 99.2187 16.392 -127.993 GPRESSURE: 4395000 -90.7496 -67.2004 128.776 161.456 -83.6516 -74.3827 69.4075 30.9418 -106.404 PRESSAVG: 4395000 -30.8453 -6.20571 24.8156 -6.20571 38.6232 80.4213 24.8156 80.4213 0.899503 GPRESSAVG: 4395000 -29.6626 -5.94822 25.253 -7.96887 38.1232 80.9573 26.5382 78.2975 0.818089 TIMING: 4395000 CPU: 13728.2, 0.00310561/step Wall: 13728.2, 0.00310561/step, 0.521916 hours remaining, 234.769531 MB of memory in use. ENERGY: 4395000 4008.0372 20509.1070 14415.0990 228.4509 -203053.0080 2374.3328 0.0000 0.0000 52321.4023 -109196.5789 300.6918 -161517.9812 -108836.4377 299.5396 -122.6009 -93.6016 762424.6556 2.8925 3.0929 PRESSURE: 4395200 326.334 17.4751 -112.737 17.4744 4.99921 -16.0057 -112.738 -16.0053 0.0475186 GPRESSURE: 4395200 298.173 56.9969 -178.791 -63.9463 52.8148 88.5707 -101.447 -85.6127 61.7582 PRESSAVG: 4395200 19.3502 -10.2035 -1.10491 -10.2034 23.1215 11.6083 -1.10492 11.6083 -2.74994 GPRESSAVG: 4395200 18.8317 -10.6517 -1.69058 -8.05521 23.8159 10.8897 -2.99616 11.9957 -2.59049 TIMING: 4395200 CPU: 13728.8, 0.00308615/step Wall: 13728.8, 0.00308615/step, 0.518474 hours remaining, 234.769531 MB of memory in use. ENERGY: 4395200 3931.2075 20470.9038 14510.6038 246.1828 -203375.9366 3010.8671 0.0000 0.0000 52092.3503 -109113.8214 299.3755 -161206.1717 -108757.1544 299.3776 110.4603 137.5819 761767.0578 13.2406 13.3524 PRESSURE: 4395400 2.07426 -169.664 193.541 -169.665 -33.5072 -155.563 193.541 -155.563 275.899 GPRESSURE: 4395400 41.2275 -156.525 188.845 -103.579 -45.3884 -222.672 137.986 -44.4244 355.656 PRESSAVG: 4395400 -25.4084 -9.8995 -6.66893 -9.89952 37.1943 25.594 -6.66901 25.5939 -24.8063 GPRESSAVG: 4395400 -24.0658 -6.04132 -8.22701 -12.143 35.4804 25.9014 -6.04353 27.1737 -24.375 TIMING: 4395400 CPU: 13729.5, 0.00309727/step Wall: 13729.5, 0.00309727/step, 0.520169 hours remaining, 234.769531 MB of memory in use. ENERGY: 4395400 3901.7285 20481.2221 14517.4655 243.0432 -203207.6465 2802.0982 0.0000 0.0000 52221.3632 -109040.7258 300.1169 -161262.0890 -108667.9713 299.4870 81.4886 117.1649 762553.9264 -4.3401 -4.3201 PRESSURE: 4395600 -21.2278 128.796 -162.27 128.795 -39.1737 -196.719 -162.27 -196.72 387.621 GPRESSURE: 4395600 38.3455 13.2426 -137.527 188.763 26.7609 -135.391 -166.477 -93.311 355.107 PRESSAVG: 4395600 48.0729 23.4022 -24.88 23.4022 -71.5116 41.105 -24.88 41.105 16.8076 GPRESSAVG: 4395600 47.8561 21.4877 -23.098 24.0219 -70.7898 40.0691 -26.3915 43.6812 16.03 TIMING: 4395600 CPU: 13730.1, 0.00310717/step Wall: 13730.1, 0.00310717/step, 0.521659 hours remaining, 234.769531 MB of memory in use. ENERGY: 4395600 3910.0116 20530.3148 14531.3738 217.5774 -202947.3229 2492.8877 0.0000 0.0000 52102.4707 -109162.6870 299.4336 -161265.1577 -108808.3006 299.5742 109.0731 140.0713 762427.7260 -2.2104 -2.3012 PRESSURE: 4395800 -102.145 36.3841 119.393 36.384 -323.526 -48.7123 119.392 -48.7124 -139.038 GPRESSURE: 4395800 -98.1364 -25.6863 124.203 127.631 -283.131 -21.1414 245.609 -87.6371 -94.8423 PRESSAVG: 4395800 -39.7096 78.2551 -10.9267 78.2551 47.7934 -18.7685 -10.9267 -18.7686 -1.75031 GPRESSAVG: 4395800 -40.0376 77.0111 -11.0285 79.9981 46.8671 -17.467 -9.8215 -22.6856 -0.233859 TIMING: 4395800 CPU: 13730.7, 0.00310621/step Wall: 13730.7, 0.00310621/step, 0.521325 hours remaining, 234.769531 MB of memory in use. ENERGY: 4395800 3935.3428 20428.5366 14534.4293 241.8804 -202770.3805 2478.5969 0.0000 0.0000 51860.8871 -109290.7075 298.0452 -161151.5946 -108937.7736 299.0341 -188.2361 -158.7031 763457.1686 2.1112 2.1986 PRESSURE: 4396000 -292.948 -89.5256 -120.348 -89.5262 50.6127 98.4684 -120.348 98.4683 329.31 GPRESSURE: 4396000 -193.802 -91.0479 13.5216 -6.33328 111.748 68.1176 -130.995 92.5163 261.559 PRESSAVG: 4396000 -16.7727 -12.2455 40.1661 -12.2455 32.4389 16.0651 40.1661 16.0651 8.33676 GPRESSAVG: 4396000 -16.6596 -9.86733 40.9774 -12.6215 33.0787 15.9842 40.3949 15.2332 7.27393 TIMING: 4396000 CPU: 13731.3, 0.00308792/step Wall: 13731.3, 0.00308792/step, 0.518085 hours remaining, 234.769531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4396000 4007.6442 20548.2179 14457.1706 249.1942 -203270.0393 2773.1509 0.0000 0.0000 52043.7718 -109190.8897 299.0963 -161234.6615 -108830.2985 299.2647 28.9918 59.8353 762451.0421 8.0010 7.8977 PRESSURE: 4396200 -38.66 76.0704 146.189 76.0708 142.657 -90.0332 146.189 -90.0337 -177.958 GPRESSURE: 4396200 97.3303 109.756 127.363 48.8823 126.548 -90.0743 86.4487 32.0302 -212.591 PRESSAVG: 4396200 -87.5589 -0.764558 -27.0262 -0.764499 19.443 17.2859 -27.0262 17.2859 -11.1006 GPRESSAVG: 4396200 -87.7979 -3.27814 -28.2783 -2.72521 19.6759 16.5908 -27.2234 17.0462 -11.6648 TIMING: 4396200 CPU: 13731.9, 0.0030894/step Wall: 13731.9, 0.0030894/step, 0.518162 hours remaining, 234.769531 MB of memory in use. ENERGY: 4396200 3993.8912 20543.2915 14511.6386 249.3840 -203322.4213 2838.6332 0.0000 0.0000 52048.8191 -109136.7638 299.1253 -161185.5829 -108767.6586 299.2996 -24.6535 3.7622 764881.9878 -26.4055 -26.5956 LDB: ============= START OF LOAD BALANCING ============== 13744.4 LDB: ============== END OF LOAD BALANCING =============== 13744.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13744.4 LDB: ============= START OF LOAD BALANCING ============== 13744.7 LDB: Largest compute 7026 load 0.032101 is 16.4% of average load 0.195367 LDB: Average compute 0.004400 is 2.3% of average load 0.195367 LDB: TIME 13744.7 LOAD: AVG 0.195367 MAX 0.215459 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.473 MB LDB: TIME 13744.7 LOAD: AVG 0.195367 MAX 0.215459 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.512 MB LDB: TIME 13744.7 LOAD: AVG 0.195367 MAX 0.215459 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.512 MB LDB: ============== END OF LOAD BALANCING =============== 13744.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13744.7 PRESSURE: 4396400 408.432 -93.6069 -67.1635 -93.6063 49.7218 -29.3157 -67.1623 -29.3148 311.62 GPRESSURE: 4396400 317.124 -72.824 -135.017 -208.845 181.911 9.61249 -50.6575 -30.8663 350.213 PRESSAVG: 4396400 18.3631 24.8973 10.2277 24.8973 -20.3568 0.467671 10.2278 0.467676 25.6619 GPRESSAVG: 4396400 19.3182 25.1027 10.0058 24.1385 -21.3787 2.15768 9.68678 2.45956 25.6197 TIMING: 4396400 CPU: 13732.6, 0.00316387/step Wall: 13732.6, 0.00316387/step, 0.530475 hours remaining, 234.773438 MB of memory in use. ENERGY: 4396400 3978.1269 20705.6677 14457.9427 241.0480 -203740.4060 3100.1900 0.0000 0.0000 52203.8685 -109053.5624 300.0163 -161257.4309 -108695.8898 299.8375 256.5914 283.0825 761600.7979 7.8894 7.8531 PRESSURE: 4396600 90.0494 105.554 36.0212 105.554 -135.494 297.147 36.0213 297.146 95.8876 GPRESSURE: 4396600 8.05763 119.539 59.3393 124.213 -1.10305 329.749 27.0099 183.569 145.667 PRESSAVG: 4396600 34.6529 11.0654 15.0205 11.0655 -25.6966 -30.1605 15.0205 -30.1605 -1.87333 GPRESSAVG: 4396600 33.6723 12.649 16.0009 11.0269 -24.4155 -31.5204 14.3436 -32.0675 -1.32709 TIMING: 4396600 CPU: 13733.2, 0.00310727/step Wall: 13733.2, 0.00310727/step, 0.520813 hours remaining, 234.976562 MB of memory in use. ENERGY: 4396600 4002.1944 20632.5860 14519.2463 259.7114 -203507.3442 2828.9184 0.0000 0.0000 52045.6853 -109219.0024 299.1073 -161264.6876 -108863.0546 299.8726 16.8144 50.8739 761965.2149 2.3610 2.6432 PRESSURE: 4396800 -68.278 52.7358 -218.453 52.7355 139.355 -50.9701 -218.453 -50.9702 145.848 GPRESSURE: 4396800 -70.0003 -9.67253 -242.38 16.0705 230.648 39.4463 73.3835 -137.336 143.777 PRESSAVG: 4396800 -28.6272 -7.49685 50.2832 -7.49686 28.7144 16.203 50.2832 16.2029 12.5875 GPRESSAVG: 4396800 -28.3008 -9.3676 49.3619 -4.26042 28.7413 16.6245 53.4545 16.1187 12.4624 TIMING: 4396800 CPU: 13733.8, 0.00310848/step Wall: 13733.8, 0.00310848/step, 0.520843 hours remaining, 234.976562 MB of memory in use. ENERGY: 4396800 3919.0862 20531.6935 14564.0851 236.4477 -203133.2585 2563.7448 0.0000 0.0000 52048.9181 -109269.2831 299.1258 -161318.2012 -108908.4378 299.3941 72.3082 101.4749 760853.3479 4.2249 4.3010 PRESSURE: 4397000 108.357 -16.4046 -158.675 -16.4051 -11.5368 -25.8606 -158.675 -25.8592 258.68 GPRESSURE: 4397000 177.621 64.5547 -167.421 17.3538 2.83019 33.2619 -76.969 -38.8925 238.096 PRESSAVG: 4397000 -31.5426 16.8089 30.5066 16.809 51.206 -12.8073 30.5066 -12.8072 2.31977 GPRESSAVG: 4397000 -32.1041 16.5831 30.3719 15.9193 51.7654 -12.0471 29.4391 -12.6201 2.05807 TIMING: 4397000 CPU: 13734.4, 0.00311147/step Wall: 13734.4, 0.00311147/step, 0.521171 hours remaining, 234.976562 MB of memory in use. ENERGY: 4397000 3915.1247 20462.1189 14537.1968 245.2691 -203588.0711 2877.2458 0.0000 0.0000 52568.3912 -108982.7246 302.1113 -161551.1158 -108611.9306 300.1700 118.5002 139.5160 762129.9523 7.3277 7.2398 PRESSURE: 4397200 39.6535 91.4821 263.691 91.4814 182.293 -202.078 263.692 -202.077 264.175 GPRESSURE: 4397200 71.3345 39.7276 166.513 -20.9998 178.503 -114.605 229.429 -183.028 299.049 PRESSAVG: 4397200 -31.1409 -11.313 -22.3283 -11.313 16.7179 -11.229 -22.3283 -11.229 -8.64774 GPRESSAVG: 4397200 -30.5364 -10.8538 -22.0787 -12.9126 15.4232 -10.6513 -23.5555 -10.5157 -8.15427 TIMING: 4397200 CPU: 13735.1, 0.00312144/step Wall: 13735.1, 0.00312144/step, 0.522668 hours remaining, 234.976562 MB of memory in use. ENERGY: 4397200 3990.1111 20673.1095 14499.1272 241.5529 -203700.3005 2936.5847 0.0000 0.0000 52099.2093 -109260.6058 299.4149 -161359.8151 -108904.0555 300.4129 162.0405 182.9622 762358.5406 -7.6902 -7.7558 PRESSURE: 4397400 -269.001 -98.1892 -151.693 -98.1899 -409.663 -57.9489 -151.693 -57.9486 218.027 GPRESSURE: 4397400 -224.842 -91.3708 -170.604 -159.951 -295.82 -86.5298 -123.505 -22.3323 144.407 PRESSAVG: 4397400 -23.6121 -11.6976 9.57075 -11.6976 33.0324 -41.5863 9.5707 -41.5863 -1.34166 GPRESSAVG: 4397400 -23.0274 -11.3917 9.21126 -10.7632 33.5033 -43.6143 9.98042 -42.7673 -1.92266 TIMING: 4397400 CPU: 13735.7, 0.00310466/step Wall: 13735.7, 0.00310466/step, 0.519685 hours remaining, 234.976562 MB of memory in use. ENERGY: 4397400 4042.8942 20435.8274 14547.5561 270.4053 -203347.7093 2614.6535 0.0000 0.0000 52176.6109 -109259.7620 299.8597 -161436.3729 -108900.8874 299.9124 -153.5459 -125.4181 761964.4771 2.6929 2.8511 PRESSURE: 4397600 -346.579 9.31704 32.3141 9.31743 -97.1675 54.4754 32.3147 54.4752 402.616 GPRESSURE: 4397600 -259.524 49.8952 75.2185 38.9677 -30.0983 95.3779 14.5749 -24.2104 324.904 PRESSAVG: 4397600 35.2934 -33.9456 -32.4078 -33.9456 4.82724 65.61 -32.4079 65.61 12.9341 GPRESSAVG: 4397600 35.1774 -32.4732 -32.5318 -34.6943 4.42044 67.7953 -32.9688 66.931 13.0597 TIMING: 4397600 CPU: 13736.3, 0.00312049/step Wall: 13736.3, 0.00312049/step, 0.522162 hours remaining, 234.976562 MB of memory in use. ENERGY: 4397600 3936.1263 20585.8739 14514.0686 252.8209 -203334.4760 2611.1421 0.0000 0.0000 52234.3694 -109200.0747 300.1916 -161434.4441 -108834.5916 299.9865 -13.7102 11.7606 761515.3558 17.6849 17.5525 PRESSURE: 4397800 3.90597 2.38359 -35.7439 2.38395 -410.747 70.2099 -35.7435 70.2094 -130.432 GPRESSURE: 4397800 23.4402 -5.84173 -50.9205 -2.41778 -390.336 80.2296 -77.8792 84.0573 -94.1001 PRESSAVG: 4397800 -44.3217 -63.2949 1.34709 -63.2949 4.32084 72.6817 1.34714 72.6817 2.59256 GPRESSAVG: 4397800 -45.7938 -64.1239 1.41952 -63.0414 5.82462 72.0675 1.64476 72.078 2.98317 TIMING: 4397800 CPU: 13736.9, 0.00312438/step Wall: 13736.9, 0.00312438/step, 0.522639 hours remaining, 234.976562 MB of memory in use. ENERGY: 4397800 4000.2212 20611.8468 14492.7741 238.9006 -202725.5446 2297.9883 0.0000 0.0000 51832.8955 -109250.9182 297.8844 -161083.8136 -108888.6962 299.4767 -179.0908 -153.6654 763648.4147 -12.4694 -12.3287 PRESSURE: 4398000 -226.877 -236.424 329.145 -236.425 -519.427 24.99 329.146 24.99 -63.3427 GPRESSURE: 4398000 -178.081 -182.228 279.175 -216.742 -504.289 8.87358 255.639 59.0175 -40.1826 PRESSAVG: 4398000 -19.309 -19.8381 5.19357 -19.8381 -15.9137 -1.03522 5.19359 -1.03524 -27.9245 GPRESSAVG: 4398000 -17.247 -20.6679 7.03661 -20.7084 -17.4927 0.0903196 3.23333 -1.135 -27.9863 TIMING: 4398000 CPU: 13737.5, 0.00312289/step Wall: 13737.5, 0.00312289/step, 0.522217 hours remaining, 234.976562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4398000 3999.5489 20686.6180 14436.4090 239.6558 -202685.8268 1899.1746 0.0000 0.0000 51962.9308 -109461.4897 298.6317 -161424.4205 -109100.1934 299.3438 -269.8823 -240.8509 762700.6245 -21.0491 -20.9086 PRESSURE: 4398200 -97.495 -13.8706 93.7456 -13.8712 141.888 13.5793 93.7461 13.5795 -164.803 GPRESSURE: 4398200 -128.258 -143.803 91.923 80.6969 238.777 71.7512 41.7608 -111.993 -155.267 PRESSAVG: 4398200 -21.7897 -28.922 4.80931 -28.9219 29.312 44.2529 4.80943 44.2528 17.6505 GPRESSAVG: 4398200 -21.6994 -28.4627 3.33006 -27.2297 29.3783 45.0872 7.37687 42.9894 17.3728 TIMING: 4398200 CPU: 13738.2, 0.00310302/step Wall: 13738.2, 0.00310302/step, 0.518721 hours remaining, 234.976562 MB of memory in use. ENERGY: 4398200 3920.2180 20413.8562 14449.3327 254.9534 -203602.2650 2797.9246 0.0000 0.0000 52327.6643 -109438.3158 300.7278 -161765.9801 -109073.2878 299.3967 -40.1367 -14.9158 763896.0446 8.3909 8.3505 PRESSURE: 4398400 -375.596 -23.3959 128.645 -23.3951 -227.191 1.2244 128.645 1.22501 25.1819 GPRESSURE: 4398400 -284.589 -79.74 149.091 17.7592 -228.785 33.5136 101.057 -38.882 35.6668 PRESSAVG: 4398400 -28.7599 -5.83518 -0.951307 -5.83519 11.456 23.0883 -0.951407 23.0883 -1.53402 GPRESSAVG: 4398400 -27.6367 -7.44914 -0.505507 -6.7307 10.1912 21.7558 -0.984788 23.9487 -1.82689 TIMING: 4398400 CPU: 13738.8, 0.00312252/step Wall: 13738.8, 0.00312252/step, 0.521807 hours remaining, 234.976562 MB of memory in use. ENERGY: 4398400 4009.3770 20445.6513 14450.1123 242.3101 -203512.7129 2758.7491 0.0000 0.0000 52230.4261 -109376.0871 300.1690 -161606.5132 -109023.4999 299.2574 -192.5352 -159.2356 763779.4566 -6.2793 -6.4241 PRESSURE: 4398600 184.056 -119.723 -97.1042 -119.723 32.6855 -180.553 -97.1047 -180.552 58.6603 GPRESSURE: 4398600 229.207 -78.3579 -78.8409 -61.267 154.593 -203.373 -60.5631 -54.386 -26.5878 PRESSAVG: 4398600 13.7927 41.9001 -39.7825 41.9001 -1.17632 15.6205 -39.7826 15.6206 10.6345 GPRESSAVG: 4398600 12.0093 43.0555 -40.0748 41.7927 0.549778 13.706 -39.7593 17.2449 10.6994 TIMING: 4398600 CPU: 13739.4, 0.00312214/step Wall: 13739.4, 0.00312214/step, 0.52157 hours remaining, 234.976562 MB of memory in use. ENERGY: 4398600 3936.9717 20494.0526 14455.3933 238.4255 -203319.0628 2773.0935 0.0000 0.0000 51950.1579 -109470.9683 298.5583 -161421.1262 -109099.6575 299.1609 91.8005 119.0709 763039.4922 7.7503 7.7528 PRESSURE: 4398800 58.4712 -162.138 146.598 -162.138 -112.99 -64.4325 146.598 -64.4328 109.898 GPRESSURE: 4398800 11.8625 -150.386 114.465 -109.692 -49.5486 -165.357 232.006 -1.60091 189.175 PRESSAVG: 4398800 -55.4684 -41.3867 -57.9402 -41.3867 14.1865 47.0951 -57.9403 47.0951 0.195521 GPRESSAVG: 4398800 -54.8287 -40.1222 -58.2483 -42.3879 13.1956 47.3232 -60.5579 45.0216 0.764444 TIMING: 4398800 CPU: 13740, 0.00313603/step Wall: 13740, 0.00313603/step, 0.523717 hours remaining, 234.976562 MB of memory in use. ENERGY: 4398800 4042.4589 20524.8748 14399.2618 232.0141 -203092.1570 2564.5004 0.0000 0.0000 51963.0784 -109365.9687 298.6325 -161329.0471 -109015.8561 299.0297 18.4597 50.4964 762352.4214 -13.6954 -13.6229 PRESSURE: 4399000 81.8662 -39.1485 -45.8559 -39.1483 57.6595 13.6983 -45.8558 13.6982 -38.7751 GPRESSURE: 4399000 118.737 -126.83 -42.2413 -114.424 147.675 -5.04223 10.776 55.9601 -63.1327 PRESSAVG: 4399000 16.2373 -47.8207 51.5039 -47.8207 4.01604 -3.61318 51.5039 -3.61319 -7.90186 GPRESSAVG: 4399000 14.7877 -48.9732 51.8391 -47.9372 5.20056 -2.49529 54.29 -0.711603 -7.5532 TIMING: 4399000 CPU: 13740.7, 0.00312227/step Wall: 13740.7, 0.00312227/step, 0.521245 hours remaining, 234.976562 MB of memory in use. ENERGY: 4399000 3984.0843 20330.2894 14380.9638 256.3808 -203713.1615 2922.3525 0.0000 0.0000 52332.2628 -109506.8279 300.7542 -161839.0907 -109142.0493 299.4948 33.5835 67.7596 761611.5279 4.1172 4.1450 PRESSURE: 4399200 329.131 116.072 137.507 116.072 323.067 -22.082 137.506 -22.082 229.883 GPRESSURE: 4399200 292.572 200.042 155.181 45.1566 373.383 -23.5657 88.7267 15.9569 295.135 PRESSAVG: 4399200 -45.9087 -39.8237 38.4346 -39.8238 84.1645 22.9033 38.4346 22.9033 12.2846 GPRESSAVG: 4399200 -45.1905 -38.6387 40.2109 -38.2662 83.7502 21.78 39.4677 22.9832 11.7114 TIMING: 4399200 CPU: 13741.3, 0.00312109/step Wall: 13741.3, 0.00312109/step, 0.520875 hours remaining, 234.976562 MB of memory in use. ENERGY: 4399200 3928.9603 20469.5273 14402.4794 233.7787 -203445.5972 2775.2754 0.0000 0.0000 52142.3382 -109493.2378 299.6627 -161635.5760 -109126.8613 298.7835 294.0271 320.3633 760512.7843 16.8468 16.7570 PRESSURE: 4399400 -69.1571 179.166 -227.833 179.166 130.024 -153.243 -227.833 -153.243 -10.4316 GPRESSURE: 4399400 100.917 157.769 -155.282 57.2049 20.396 -181.507 -139.192 -178.443 21.0733 PRESSAVG: 4399400 33.879 -11.1335 -44.0811 -11.1335 -32.2863 41.1535 -44.081 41.1536 11.5899 GPRESSAVG: 4399400 33.4418 -9.9665 -44.2197 -11.1618 -33.2063 43.7587 -45.6291 38.5209 13.5871 TIMING: 4399400 CPU: 13741.9, 0.00314712/step Wall: 13741.9, 0.00314712/step, 0.525044 hours remaining, 234.976562 MB of memory in use. ENERGY: 4399400 4025.4887 20283.1552 14461.8427 237.8213 -203426.5327 2929.8757 0.0000 0.0000 52121.7282 -109366.6209 299.5443 -161488.3491 -108998.0830 298.8593 16.8116 47.4623 761373.7796 4.3942 4.6076 PRESSURE: 4399600 12.5639 16.5666 177.27 16.5669 -143.366 -126.894 177.272 -126.894 52.5969 GPRESSURE: 4399600 52.4363 -24.86 131.833 56.1993 -107.885 -77.238 186.175 -19.5066 59.6728 PRESSAVG: 4399600 48.3509 70.5379 27.5835 70.5379 -61.2115 20.0938 27.5834 20.0937 6.8091 GPRESSAVG: 4399600 49.2824 69.8564 27.7611 68.451 -60.8871 19.4228 27.4884 20.9708 5.66073 TIMING: 4399600 CPU: 13742.6, 0.00314386/step Wall: 13742.6, 0.00314386/step, 0.524327 hours remaining, 234.976562 MB of memory in use. ENERGY: 4399600 3995.5370 20454.9287 14402.6293 221.7605 -203385.0555 2957.6222 0.0000 0.0000 52029.1066 -109323.4711 299.0120 -161352.5777 -108977.2412 299.2561 -26.0684 1.4080 762842.3172 -2.0171 -1.9813 PRESSURE: 4399800 222.31 133.771 -231.942 133.77 -365.009 222.691 -231.941 222.691 68.5973 GPRESSURE: 4399800 135.108 187.693 -208.991 37.2724 -197.931 201.297 -167.147 203.319 36.4423 PRESSAVG: 4399800 10.1042 -1.19874 -31.7089 -1.19873 -26.3442 -3.95758 -31.709 -3.95761 26.508 GPRESSAVG: 4399800 9.89197 -2.55406 -32.8124 1.11311 -25.0461 -4.6682 -31.0238 -3.53859 25.5909 TIMING: 4399800 CPU: 13743.2, 0.00313382/step Wall: 13743.2, 0.00313382/step, 0.522477 hours remaining, 234.976562 MB of memory in use. ENERGY: 4399800 3944.8335 20612.0572 14395.8354 240.9969 -203205.7808 2577.5287 0.0000 0.0000 52184.4532 -109250.0759 299.9048 -161434.5291 -108884.5024 299.3413 -24.7007 -8.7934 761407.1638 3.4227 3.4789 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 4400000 WRITING COORDINATES TO RESTART FILE AT STEP 4400000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4400000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4400000 -146.331 -127.98 -38.4988 -127.981 -162.785 -90.0872 -38.499 -90.0874 -73.2311 GPRESSURE: 4400000 -144.651 -92.8314 -20.4226 -76.3065 -107.372 -74.1386 -82.2385 -91.893 -42.8359 PRESSAVG: 4400000 -2.62925 -20.7731 -22.6442 -20.7731 35.9063 -14.7726 -22.6442 -14.7726 13.2678 GPRESSAVG: 4400000 -2.40924 -20.7043 -22.3837 -20.9633 35.0007 -14.3567 -22.3708 -14.2172 14.1458 TIMING: 4400000 CPU: 13743.8, 0.00330915/step Wall: 13743.8, 0.00330915/step, 0.551525 hours remaining, 234.976562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4400000 3955.8466 20632.1441 14422.1828 254.6721 -203265.2876 2524.0532 0.0000 0.0000 52090.5203 -109385.8686 299.3649 -161476.3889 -109019.7159 299.7136 -127.4493 -98.2861 760863.0185 15.5149 15.5791 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4400000 PRESSURE: 4400200 50.875 16.1032 223.686 16.1039 -124.158 -160.582 223.685 -160.582 253.444 GPRESSURE: 4400200 67.3048 21.7273 147.367 -63.6809 -3.18556 -142.786 244.482 -51.799 213.051 PRESSAVG: 4400200 7.33747 21.2392 26.4379 21.2392 -1.62278 -13.9703 26.4379 -13.9702 -5.90753 GPRESSAVG: 4400200 6.22918 20.2521 27.6632 21.6259 0.556109 -13.9818 25.4748 -13.2159 -6.87357 TIMING: 4400200 CPU: 13744.5, 0.003145/step Wall: 13744.5, 0.003145/step, 0.523992 hours remaining, 234.976562 MB of memory in use. ENERGY: 4400200 4003.3542 20620.3839 14474.0482 269.1998 -203532.3395 2847.7192 0.0000 0.0000 51910.2600 -109407.3741 298.3290 -161317.6341 -109053.2447 299.1724 60.0536 92.3899 761842.3882 -0.0643 -0.0294 LDB: ============= START OF LOAD BALANCING ============== 13756.9 LDB: ============== END OF LOAD BALANCING =============== 13756.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13757 LDB: ============= START OF LOAD BALANCING ============== 13757.3 LDB: Largest compute 7026 load 0.031904 is 16.3% of average load 0.195385 LDB: Average compute 0.004388 is 2.2% of average load 0.195385 LDB: TIME 13757.3 LOAD: AVG 0.195385 MAX 0.216019 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.059 MB LDB: TIME 13757.3 LOAD: AVG 0.195385 MAX 0.216019 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.195 MB LDB: TIME 13757.3 LOAD: AVG 0.195385 MAX 0.216019 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.195 MB LDB: ============== END OF LOAD BALANCING =============== 13757.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13757.3 PRESSURE: 4400400 173.087 -323.211 92.1022 -323.211 148.82 51.1737 92.103 51.1743 161.059 GPRESSURE: 4400400 271.947 -239.222 146.652 -253.473 131.683 36.2278 84.5092 -37.546 172.086 PRESSAVG: 4400400 13.7832 -50.3867 17.0964 -50.3868 16.3509 -41.4898 17.0964 -41.4899 -8.5946 GPRESSAVG: 4400400 14.6601 -48.6061 16.0827 -50.5955 14.1706 -40.6441 17.4368 -45.0595 -7.24 TIMING: 4400400 CPU: 13745.1, 0.00319186/step Wall: 13745.1, 0.00319186/step, 0.531623 hours remaining, 235.863281 MB of memory in use. ENERGY: 4400400 3949.8502 20616.7734 14498.0761 232.9457 -203374.8538 2549.5249 0.0000 0.0000 52159.5084 -109368.1751 299.7614 -161527.6834 -109006.6371 299.2856 160.9886 191.9050 761572.0073 7.1798 7.1969 PRESSURE: 4400600 -103.285 66.3753 252.294 66.3756 -455.135 -375.466 252.295 -375.468 -414.67 GPRESSURE: 4400600 -255.195 85.9193 281.531 76.1637 -278.9 -278.012 357.463 -289.625 -348.079 PRESSAVG: 4400600 18.3273 -52.0571 12.2786 -52.0571 12.7536 -30.2317 12.2786 -30.2317 -6.53843 GPRESSAVG: 4400600 17.1825 -51.8331 13.7137 -54.1093 14.1736 -31.493 12.9125 -28.4519 -7.18586 TIMING: 4400600 CPU: 13745.7, 0.00312634/step Wall: 13745.7, 0.00312634/step, 0.520536 hours remaining, 235.863281 MB of memory in use. ENERGY: 4400600 3960.3339 20484.1931 14460.9538 248.2697 -202752.5019 2256.3114 0.0000 0.0000 51963.8589 -109378.5811 298.6370 -161342.4400 -109014.6740 299.1758 -324.3635 -294.0583 763542.2380 8.1808 8.0568 PRESSURE: 4400800 187.838 -71.5855 -228.024 -71.5847 -33.6801 -72.4234 -228.025 -72.4231 -18.1744 GPRESSURE: 4400800 191.817 -128.329 -302.709 -62.6954 -11.7229 -16.238 -134.514 -84.226 32.5334 PRESSAVG: 4400800 33.2421 1.48365 -11.9359 1.48373 -31.5444 -9.7114 -11.9359 -9.71139 14.8398 GPRESSAVG: 4400800 33.8698 -0.210913 -13.2322 1.65348 -32.6754 -9.97994 -11.0655 -8.68306 14.8633 TIMING: 4400800 CPU: 13746.4, 0.00312249/step Wall: 13746.4, 0.00312249/step, 0.519722 hours remaining, 236.273438 MB of memory in use. ENERGY: 4400800 4045.6415 20382.3712 14410.8970 242.5913 -203113.0692 2692.5944 0.0000 0.0000 51904.7472 -109434.2266 298.2973 -161338.9738 -109064.0291 299.0016 45.3280 70.8758 762430.8788 5.5125 5.3526 PRESSURE: 4401000 101.133 -159.241 212.999 -159.24 -283.285 -47.3633 212.999 -47.3627 -151.976 GPRESSURE: 4401000 -1.41029 -152.547 155.227 -86.3277 -143.585 -160.558 225.823 -61.2475 -104.157 PRESSAVG: 4401000 28.9689 3.41416 26.3864 3.41421 -0.613478 -47.133 26.3864 -47.1329 9.27603 GPRESSAVG: 4401000 29.8582 4.41227 27.751 4.23784 -2.1777 -48.0393 25.5231 -47.3963 9.95551 TIMING: 4401000 CPU: 13747, 0.00314054/step Wall: 13747, 0.00314054/step, 0.522551 hours remaining, 236.273438 MB of memory in use. ENERGY: 4401000 3958.3005 20403.4262 14436.0492 238.7479 -203244.5017 2588.9433 0.0000 0.0000 52282.1158 -109336.9188 300.4660 -161619.0346 -108976.1686 299.0137 -111.3759 -83.0508 763807.6664 12.5438 12.5453 PRESSURE: 4401200 -319.055 85.6345 -4.99183 85.6343 122.979 -97.4057 -4.99251 -97.4051 -409.153 GPRESSURE: 4401200 -233.658 34.4551 21.7411 104.826 110.415 -6.07995 -57.1311 -205.856 -407.356 PRESSAVG: 4401200 33.7249 -20.4179 39.1883 -20.418 -38.6819 -118.713 39.1882 -118.713 -30.6087 GPRESSAVG: 4401200 33.1742 -19.2314 38.0227 -19.3146 -37.5635 -116.999 39.3253 -117.951 -30.8187 TIMING: 4401200 CPU: 13747.6, 0.00313122/step Wall: 13747.6, 0.00313122/step, 0.520826 hours remaining, 236.273438 MB of memory in use. ENERGY: 4401200 3964.8749 20505.2437 14384.9861 254.5269 -203155.8351 2575.1506 0.0000 0.0000 52101.7203 -109369.3327 299.4293 -161471.0530 -109020.6360 299.0283 -201.7428 -176.8663 762495.3316 -11.8552 -11.7360 PRESSURE: 4401400 -58.9475 25.9604 24.616 25.959 -71.2104 -54.8773 24.6166 -54.8772 62.4935 GPRESSURE: 4401400 -23.3856 -27.7281 54.6274 -40.8214 15.6876 -119.798 0.340425 -34.48 27.7316 PRESSAVG: 4401400 5.44098 -48.4288 46.1997 -48.4289 4.14172 -105.103 46.1997 -105.103 -12.5897 GPRESSAVG: 4401400 5.64951 -48.6239 45.3193 -51.0656 4.18799 -107.815 47.5992 -103.426 -12.5389 TIMING: 4401400 CPU: 13748.2, 0.00312296/step Wall: 13748.2, 0.00312296/step, 0.519279 hours remaining, 236.273438 MB of memory in use. ENERGY: 4401400 3947.2867 20356.6254 14378.0802 242.6933 -202818.2271 2623.8265 0.0000 0.0000 51961.6574 -109308.0577 298.6244 -161269.7151 -108951.3520 298.6184 -22.5548 6.6779 763207.8933 -1.0023 -0.9005 PRESSURE: 4401600 -95.1666 -180.866 -101.69 -180.866 -248.838 6.49417 -101.691 6.49452 -210.048 GPRESSURE: 4401600 -63.3034 -238.682 11.4411 -181.698 -195.442 35.7819 -74.002 -7.40497 -200.629 PRESSAVG: 4401600 -15.1881 -31.7445 47.792 -31.7446 17.6917 -27.1807 47.7921 -27.1808 -8.38267 GPRESSAVG: 4401600 -14.223 -34.1593 50.3288 -30.6924 17.7588 -24.6438 44.8276 -28.9832 -10.1469 TIMING: 4401600 CPU: 13748.9, 0.0031271/step Wall: 13748.9, 0.0031271/step, 0.519794 hours remaining, 236.273438 MB of memory in use. ENERGY: 4401600 4013.3807 20467.1743 14464.1820 249.8664 -203238.7668 2669.7708 0.0000 0.0000 52040.8266 -109333.5661 299.0793 -161374.3927 -108975.6133 298.7067 -184.6840 -153.1248 764135.0560 -1.9597 -2.2037 PRESSURE: 4401800 244.033 -2.48732 -113.406 -2.48756 73.2634 -40.7988 -113.405 -40.7983 -1.02767 GPRESSURE: 4401800 201.789 -71.9358 -98.7396 -31.7522 61.6511 -80.8874 -33.2995 -20.3168 130.481 PRESSAVG: 4401800 36.9419 -32.7342 3.1565 -32.7342 -7.42132 -10.8328 3.15652 -10.8328 16.5098 GPRESSAVG: 4401800 35.085 -33.8567 1.96021 -32.2726 -7.26569 -12.2446 5.91123 -11.6264 18.1648 TIMING: 4401800 CPU: 13749.5, 0.0031183/step Wall: 13749.5, 0.0031183/step, 0.518158 hours remaining, 236.273438 MB of memory in use. ENERGY: 4401800 4003.9380 20485.3175 14484.0551 256.9255 -203463.3861 2812.0502 0.0000 0.0000 52195.6538 -109225.4460 299.9691 -161421.0997 -108869.9001 299.7359 105.4228 131.3069 760848.1973 15.3435 15.3280 PRESSURE: 4402000 -9.6089 -170.689 57.6241 -170.688 71.0999 -7.62662 57.6241 -7.62687 -121.318 GPRESSURE: 4402000 23.0475 -109.21 111.481 -131.775 114.163 29.5135 46.0896 31.8657 -129.104 PRESSAVG: 4402000 9.11977 -52.0862 14.8343 -52.0863 7.50795 -6.81954 14.8343 -6.81955 12.0191 GPRESSAVG: 4402000 9.89619 -49.9073 13.5047 -52.9578 6.13288 -6.51751 15.8538 -6.12967 12.7812 TIMING: 4402000 CPU: 13750.1, 0.00311934/step Wall: 13750.1, 0.00311934/step, 0.518157 hours remaining, 236.273438 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: 4402000 3968.4289 20514.0514 14475.1896 232.3375 -203258.8872 2568.0136 0.0000 0.0000 52217.4887 -109283.3774 300.0946 -161500.8662 -108923.1311 299.6926 -19.9423 2.7020 762494.1568 9.5489 9.6034 PRESSURE: 4402200 -245.345 26.8243 -39.4764 26.8235 -94.4906 223.627 -39.4766 223.628 381.87 GPRESSURE: 4402200 -103.406 -7.55905 -42.2605 55.1866 -54.0757 271.785 -46.1862 156.033 294.436 PRESSAVG: 4402200 -19.6091 -30.3106 -12.7841 -30.3107 1.72539 -21.2782 -12.7841 -21.2782 2.9087 GPRESSAVG: 4402200 -18.8344 -30.3997 -12.3834 -28.2366 2.50836 -21.8156 -14.6614 -20.6797 1.52053 TIMING: 4402200 CPU: 13750.7, 0.00310716/step Wall: 13750.7, 0.00310716/step, 0.515961 hours remaining, 236.273438 MB of memory in use. ENERGY: 4402200 3881.9469 20562.2194 14456.7736 243.1498 -203187.8872 2485.2554 0.0000 0.0000 52106.6656 -109451.8766 299.4577 -161558.5422 -109083.2219 299.2497 14.0115 45.6513 763202.7364 -4.9917 -4.9352 PRESSURE: 4402400 -342.614 75.7459 -141.864 75.7457 -699.517 -83.0699 -141.864 -83.0704 -120.448 GPRESSURE: 4402400 -312.129 76.3761 -216.455 130.086 -619.298 -35.22 -86.9218 -158.946 -142.6 PRESSAVG: 4402400 -20.2795 23.343 -46.0987 23.343 23.2473 63.4698 -46.0986 63.4698 7.95072 GPRESSAVG: 4402400 -22.0546 23.4965 -45.1668 22.516 24.6452 63.3726 -45.3161 63.8123 8.34374 TIMING: 4402400 CPU: 13751.4, 0.00310163/step Wall: 13751.4, 0.00310163/step, 0.51487 hours remaining, 236.273438 MB of memory in use. ENERGY: 4402400 4045.5452 20414.7261 14461.4426 241.2811 -203051.0675 2424.3738 0.0000 0.0000 52048.2333 -109415.4654 299.1219 -161463.6987 -109055.1471 298.9921 -387.5262 -358.0091 763367.8186 3.6395 3.6448 PRESSURE: 4402600 64.0814 -80.368 97.7241 -80.3677 -47.252 220.863 97.7243 220.862 -599.47 GPRESSURE: 4402600 89.5165 -76.1575 141.681 -24.5848 -18.0642 275.054 -8.61698 235.65 -566.308 PRESSAVG: 4402600 -31.3161 -8.19125 -7.31015 -8.19128 -5.01066 22.6662 -7.31019 22.6661 11.7417 GPRESSAVG: 4402600 -31.8641 -8.24989 -7.39965 -7.21773 -4.75979 24.6733 -7.81404 23.4703 12.041 TIMING: 4402600 CPU: 13752, 0.00309832/step Wall: 13752, 0.00309832/step, 0.514148 hours remaining, 236.273438 MB of memory in use. ENERGY: 4402600 3984.3391 20476.5466 14543.0609 240.4221 -203193.8860 2515.2063 0.0000 0.0000 52070.8390 -109363.4720 299.2518 -161434.3110 -109002.0966 299.2670 -194.2137 -164.9518 762984.1121 -8.1950 -8.1943 PRESSURE: 4402800 -265.481 -111.323 -85.9595 -111.324 -263.922 5.46785 -85.9598 5.46747 158.452 GPRESSURE: 4402800 -164.596 -158.322 -57.3848 -113.087 -291.213 6.95729 -258.559 -59.7256 155.408 PRESSAVG: 4402800 -16.779 -47.4826 13.3015 -47.4826 41.2361 -40.5283 13.3015 -40.5283 -2.26394 GPRESSAVG: 4402800 -15.0727 -46.184 14.2051 -48.8533 39.9447 -41.7397 12.8634 -41.976 -2.85545 TIMING: 4402800 CPU: 13752.6, 0.00309508/step Wall: 13752.6, 0.00309508/step, 0.513439 hours remaining, 236.273438 MB of memory in use. ENERGY: 4402800 3958.6221 20588.6645 14419.1151 261.9541 -203081.9366 2350.4047 0.0000 0.0000 52100.5336 -109402.6426 299.4225 -161503.1761 -109039.1653 299.4147 -123.6500 -100.1335 763036.0971 7.3977 7.3388 PRESSURE: 4403000 -482.925 -80.7192 227.245 -80.7196 -138.222 120.588 227.244 120.586 -314.975 GPRESSURE: 4403000 -371.043 -46.5665 157.174 -162.857 -129.518 143.552 307.639 108.545 -350.376 PRESSAVG: 4403000 -78.7696 -24.8632 -14.6651 -24.8632 17.3674 -11.2494 -14.6652 -11.2493 14.3188 GPRESSAVG: 4403000 -79.9298 -23.9745 -14.986 -24.2734 18.7931 -11.9911 -14.5227 -10.009 14.4954 TIMING: 4403000 CPU: 13753.2, 0.00310988/step Wall: 13753.2, 0.00310988/step, 0.515721 hours remaining, 236.273438 MB of memory in use. ENERGY: 4403000 3927.6089 20540.9596 14468.6099 259.8279 -203150.1533 2433.5307 0.0000 0.0000 52079.6343 -109439.9821 299.3024 -161519.6164 -109070.6283 299.0854 -312.0406 -283.6456 761949.8179 -15.6945 -15.5471 PRESSURE: 4403200 2.27916 73.5177 50.2523 73.517 -189.658 -144.678 50.2518 -144.679 91.755 GPRESSURE: 4403200 -47.1524 62.323 181.073 106.842 -66.4184 -225.266 76.4084 -87.6059 103.736 PRESSAVG: 4403200 -38.0503 6.18877 21.31 6.18876 40.119 -58.2476 21.31 -58.2475 3.25902 GPRESSAVG: 4403200 -37.7231 4.33434 21.7063 6.30907 40.1568 -57.1761 21.3793 -57.9109 2.82155 TIMING: 4403200 CPU: 13753.8, 0.00309766/step Wall: 13753.8, 0.00309766/step, 0.513524 hours remaining, 236.273438 MB of memory in use. ENERGY: 4403200 3900.2863 20471.1903 14433.0077 224.4613 -202961.8638 2487.2840 0.0000 0.0000 52094.0736 -109351.5606 299.3854 -161445.6342 -108981.9764 299.2327 -31.8746 -3.2782 761559.0093 1.7759 1.7518 PRESSURE: 4403400 -68.9609 27.5023 -92.9215 27.502 -66.8198 -41.6586 -92.9214 -41.658 -650.028 GPRESSURE: 4403400 3.32391 -13.4156 -98.3478 34.1536 -87.5271 -56.9264 1.37099 -10.0323 -602.358 PRESSAVG: 4403400 -29.9951 -77.3159 34.2388 -77.3159 14.0421 -56.8122 34.2388 -56.8122 11.7615 GPRESSAVG: 4403400 -29.7693 -76.9359 34.4987 -78.1768 13.1284 -57.2289 33.9211 -58.3418 12.3052 TIMING: 4403400 CPU: 13754.5, 0.00310151/step Wall: 13754.5, 0.00310151/step, 0.513989 hours remaining, 236.273438 MB of memory in use. ENERGY: 4403400 3981.6136 20428.1690 14425.7775 225.6068 -203119.7836 2596.8915 0.0000 0.0000 51950.4689 -109511.2565 298.5601 -161461.7253 -109155.4113 298.9149 -261.9363 -228.8539 761048.7960 -1.3972 -1.4452 PRESSURE: 4403600 -214.062 -76.1287 287.227 -76.1291 71.9545 -105.772 287.227 -105.772 -14.9502 GPRESSURE: 4403600 -252.211 -195.334 308.336 -49.5499 112.348 -152.528 189.739 -135.703 71.4497 PRESSAVG: 4403600 6.2852 -21.801 16.1611 -21.801 37.9113 -18.2347 16.1611 -18.2348 -27.9644 GPRESSAVG: 4403600 6.22203 -20.9336 14.9511 -22.561 37.0393 -16.9162 16.9326 -18.4546 -26.859 TIMING: 4403600 CPU: 13755.1, 0.00311452/step Wall: 13755.1, 0.00311452/step, 0.515972 hours remaining, 236.273438 MB of memory in use. ENERGY: 4403600 3960.6595 20524.0866 14482.8381 240.5623 -203288.8582 2752.8829 0.0000 0.0000 52083.5075 -109244.3212 299.3246 -161327.8287 -108891.7556 299.1195 -52.3527 -22.8045 762784.5188 5.4107 5.4675 PRESSURE: 4403800 109.938 42.3697 -39.6766 42.37 -12.5671 5.86959 -39.6767 5.86936 245.231 GPRESSURE: 4403800 53.8687 45.706 68.3952 -59.7521 111.487 10.6077 -103.661 49.0166 252.179 PRESSAVG: 4403800 -5.37568 4.70992 -62.5341 4.70994 -5.97021 -12.7806 -62.5341 -12.7806 23.1089 GPRESSAVG: 4403800 -5.94467 2.88685 -62.0706 5.92985 -4.06457 -12.9176 -63.87 -12.2124 21.0205 TIMING: 4403800 CPU: 13755.7, 0.00312088/step Wall: 13755.7, 0.00312088/step, 0.516852 hours remaining, 236.273438 MB of memory in use. ENERGY: 4403800 3939.7436 20523.2466 14420.2149 241.2868 -203078.0720 2508.9535 0.0000 0.0000 52159.2519 -109285.3746 299.7599 -161444.6265 -108920.8816 299.1821 114.2008 139.1783 762039.0439 3.9210 3.6704 PRESSURE: 4404000 -299.817 130.518 -86.0479 130.518 2.03295 -89.1981 -86.0477 -89.1984 -236.678 GPRESSURE: 4404000 -223.123 199.522 -22.114 148.182 -50.2945 -86.4914 -85.6491 -32.7537 -181.891 PRESSAVG: 4404000 -19.1221 -33.2848 -28.5558 -33.2848 8.96544 -14.0891 -28.5558 -14.0891 1.8338 GPRESSAVG: 4404000 -18.354 -31.1936 -29.1808 -33.094 8.66646 -14.0072 -26.4002 -14.5132 2.19147 TIMING: 4404000 CPU: 13756.3, 0.00314232/step Wall: 13756.3, 0.00314232/step, 0.520229 hours remaining, 236.273438 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: 4404000 3949.8144 20762.2488 14453.0249 238.7180 -202953.3936 2524.3993 0.0000 0.0000 51799.4492 -109225.7390 297.6921 -161025.1882 -108875.5693 299.1057 -178.1542 -151.7697 762677.2565 -2.7743 -2.4987 PRESSURE: 4404200 158.402 -40.7954 267.396 -40.7951 372.843 173.091 267.394 173.092 429.733 GPRESSURE: 4404200 208.021 -11.3894 191.971 -111.899 371.889 127.619 276.816 219.347 493.304 PRESSAVG: 4404200 9.51078 25.9914 -65.2416 25.9916 22.6339 -17.714 -65.2416 -17.714 -9.79881 GPRESSAVG: 4404200 9.35468 23.4884 -64.5322 24.6273 21.806 -18.6436 -69.3816 -15.7894 -8.6059 TIMING: 4404200 CPU: 13757, 0.00312652/step Wall: 13757, 0.00312652/step, 0.517439 hours remaining, 236.273438 MB of memory in use. ENERGY: 4404200 3975.0585 20432.1861 14437.0248 249.7776 -203096.8817 2738.0550 0.0000 0.0000 52241.1837 -109023.5960 300.2308 -161264.7797 -108660.2012 300.0249 320.3261 357.7382 761853.5571 7.4486 7.5183 LDB: ============= START OF LOAD BALANCING ============== 13769.4 LDB: ============== END OF LOAD BALANCING =============== 13769.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13769.4 LDB: ============= START OF LOAD BALANCING ============== 13769.7 LDB: Largest compute 7026 load 0.031140 is 15.9% of average load 0.195297 LDB: Average compute 0.004398 is 2.3% of average load 0.195297 LDB: TIME 13769.8 LOAD: AVG 0.195297 MAX 0.215187 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.293 MB LDB: TIME 13769.8 LOAD: AVG 0.195297 MAX 0.215187 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.293 MB LDB: TIME 13769.8 LOAD: AVG 0.195297 MAX 0.215187 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.293 MB LDB: ============== END OF LOAD BALANCING =============== 13769.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13769.8 PRESSURE: 4404400 -114.233 14.0221 19.8261 14.0215 31.6754 -42.4603 19.826 -42.4601 -45.2295 GPRESSURE: 4404400 -103.886 154.912 26.1104 24.1296 153.043 -91.7592 79.601 20.9842 -95.2884 PRESSAVG: 4404400 21.3871 9.24403 -11.348 9.24405 -30.5499 57.5647 -11.348 57.5648 8.81644 GPRESSAVG: 4404400 20.9629 10.8738 -9.04597 9.1204 -29.8611 59.4477 -10.1608 57.5965 8.66457 TIMING: 4404400 CPU: 13757.6, 0.00320541/step Wall: 13757.6, 0.00320541/step, 0.530318 hours remaining, 236.574219 MB of memory in use. ENERGY: 4404400 4032.2064 20511.7582 14476.0469 233.5214 -203389.8508 2793.9385 0.0000 0.0000 52382.0836 -108960.2958 301.0406 -161342.3794 -108598.4498 300.4136 -42.5957 -15.3772 762924.8387 -0.1155 -0.0779 PRESSURE: 4404600 -29.7937 -34.016 206.985 -34.0158 16.6431 183.623 206.985 183.623 -154.986 GPRESSURE: 4404600 24.1184 -78.6489 128.576 54.524 -7.38434 137.861 157.132 136.196 -101.223 PRESSAVG: 4404600 -11.1315 17.3613 41.9984 17.3613 44.177 60.8188 41.9984 60.8187 12.1526 GPRESSAVG: 4404600 -9.42043 15.9941 39.6795 19.0446 42.3124 58.5071 43.989 60.3866 12.4526 TIMING: 4404600 CPU: 13758.2, 0.00310608/step Wall: 13758.2, 0.00310608/step, 0.513711 hours remaining, 236.847656 MB of memory in use. ENERGY: 4404600 3971.6142 20621.3261 14589.4600 249.5319 -202892.2869 2346.0691 0.0000 0.0000 52122.1578 -108992.1279 299.5468 -161114.2857 -108634.4236 300.5659 -56.0456 -28.1630 761420.0128 15.0660 15.1149 PRESSURE: 4404800 -15.7313 -286.277 -37.18 -286.277 34.1671 124.887 -37.1797 124.888 16.6186 GPRESSURE: 4404800 0.0117364 -312.026 -40.2935 -152.298 42.5046 102.124 -55.0388 153.943 72.4604 PRESSAVG: 4404800 -37.6477 47.2402 49.9389 47.2401 33.9604 17.1516 49.939 17.1515 -15.0916 GPRESSAVG: 4404800 -37.8103 49.6861 49.0772 47.5563 34.6243 16.0634 51.4749 17.4197 -15.9662 TIMING: 4404800 CPU: 13758.8, 0.00310553/step Wall: 13758.8, 0.00310553/step, 0.513448 hours remaining, 236.847656 MB of memory in use. ENERGY: 4404800 3984.6203 20431.1767 14473.2167 270.3964 -203047.0865 2670.3828 0.0000 0.0000 52218.6750 -108998.6186 300.1014 -161217.2936 -108630.8151 299.6536 11.6848 38.3256 761530.9934 -6.2597 -6.3840 PRESSURE: 4405000 -19.859 67.1343 -1.86567 67.1354 -397.369 26.872 -1.86621 26.8726 391.154 GPRESSURE: 4405000 5.59218 57.5676 -59.2199 85.008 -364.237 16.8874 -25.2562 -19.5109 411.262 PRESSAVG: 4405000 -5.8541 -32.6286 -13.8036 -32.6286 28.0065 11.0428 -13.8036 11.0429 -25.5041 GPRESSAVG: 4405000 -6.47111 -34.4572 -13.8297 -33.3111 28.3003 13.5305 -15.4954 10.043 -24.8035 TIMING: 4405000 CPU: 13759.5, 0.00313152/step Wall: 13759.5, 0.00313152/step, 0.517571 hours remaining, 236.847656 MB of memory in use. ENERGY: 4405000 3978.5163 20611.2370 14454.2496 252.5032 -203080.1607 2557.7429 0.0000 0.0000 52068.9155 -109156.9961 299.2408 -161225.9116 -108808.1572 299.9274 -8.6915 17.5392 762182.4112 -1.1172 -0.9914 PRESSURE: 4405200 95.2395 -207.1 -243.354 -207.099 420.216 -200.624 -243.354 -200.623 353.313 GPRESSURE: 4405200 164.434 -6.69769 -206.674 -206.034 405.041 -169.16 -165.234 -57.6398 368.604 PRESSAVG: 4405200 25.254 -50.5173 -11.7384 -50.5173 -43.6811 49.249 -11.7384 49.249 -8.45512 GPRESSAVG: 4405200 25.6879 -49.0544 -9.44517 -51.9495 -43.7795 48.1837 -13.7091 48.6096 -8.89244 TIMING: 4405200 CPU: 13760.1, 0.00312041/step Wall: 13760.1, 0.00312041/step, 0.515561 hours remaining, 236.847656 MB of memory in use. ENERGY: 4405200 3922.7855 20637.9231 14424.1835 260.0781 -203264.4285 2873.6738 0.0000 0.0000 52138.3290 -109007.4555 299.6397 -161145.7845 -108637.8448 300.1330 289.5896 312.6929 761712.6737 -8.9607 -8.9947 PRESSURE: 4405400 45.1989 -68.4016 -88.533 -68.4012 146.127 -32.6733 -88.5339 -32.6736 50.9129 GPRESSURE: 4405400 148.981 -31.423 -135.419 -31.2543 122.669 -38.5418 -109.329 -123.845 78.6718 PRESSAVG: 4405400 26.744 8.08641 -39.6958 8.08642 6.48904 -26.9792 -39.6958 -26.9792 -11.0892 GPRESSAVG: 4405400 26.6006 7.24087 -39.6817 9.82213 6.24959 -26.1298 -39.8661 -26.2907 -10.3552 TIMING: 4405400 CPU: 13760.7, 0.0031216/step Wall: 13760.7, 0.0031216/step, 0.515584 hours remaining, 236.847656 MB of memory in use. ENERGY: 4405400 3993.1721 20640.6140 14461.7053 242.5600 -203125.2019 2350.3174 0.0000 0.0000 52313.8255 -109123.0076 300.6483 -161436.8330 -108771.1370 300.3863 80.7463 116.7739 760271.7054 7.3813 7.4983 PRESSURE: 4405600 -93.6942 62.3758 -110.432 62.3754 -53.2199 14.6699 -110.432 14.6701 -162.517 GPRESSURE: 4405600 -209.107 -72.0606 -93.7579 -119.089 93.5942 -11.5107 -148.56 40.5414 -79.9422 PRESSAVG: 4405600 -29.2711 -11.6479 -14.7685 -11.6479 26.1291 -46.6008 -14.7685 -46.6008 8.26103 GPRESSAVG: 4405600 -29.5508 -11.2316 -14.251 -11.9501 26.6685 -46.7316 -15.3462 -46.4767 7.46436 TIMING: 4405600 CPU: 13761.3, 0.00315052/step Wall: 13761.3, 0.00315052/step, 0.520186 hours remaining, 236.917969 MB of memory in use. ENERGY: 4405600 4031.3673 20333.1656 14377.2148 244.4520 -202842.8794 2462.3124 0.0000 0.0000 52324.5644 -109069.8028 300.7100 -161394.3672 -108708.4494 299.6895 -103.1437 -65.1518 764150.1998 1.7063 1.5274 PRESSURE: 4405800 220.86 -1.2254 -98.8373 -1.22483 187.501 140.399 -98.8372 140.399 405.436 GPRESSURE: 4405800 328.938 66.0829 -74.9888 -63.8613 128.986 156.66 2.27704 111.495 428.141 PRESSAVG: 4405800 9.80917 -20.5671 5.73431 -20.5671 -43.332 -19.3879 5.73431 -19.388 11.2286 GPRESSAVG: 4405800 10.0512 -21.1856 3.71647 -21.0051 -43.5474 -19.8417 7.92021 -19.1335 10.9258 TIMING: 4405800 CPU: 13762, 0.00312938/step Wall: 13762, 0.00312938/step, 0.516522 hours remaining, 236.917969 MB of memory in use. ENERGY: 4405800 3992.7417 20439.2927 14446.8953 235.9132 -203169.1672 2663.8043 0.0000 0.0000 52308.0769 -109082.4432 300.6152 -161390.5201 -108715.2084 299.6126 271.2659 295.3548 763085.9042 -7.4314 -7.5235 PRESSURE: 4406000 245.238 176.683 133.449 176.683 48.3557 -300.977 133.449 -300.978 199.37 GPRESSURE: 4406000 289.026 172.468 190.28 322.349 67.6793 -286.958 77.7395 -181.106 219.604 PRESSAVG: 4406000 10.876 43.8451 3.91135 43.8451 9.88438 -3.53729 3.91129 -3.5373 -23.046 GPRESSAVG: 4406000 10.2284 44.2981 3.37007 46.084 9.25059 -3.79006 4.2396 -4.60452 -22.5312 TIMING: 4406000 CPU: 13762.6, 0.00311619/step Wall: 13762.6, 0.00311619/step, 0.514172 hours remaining, 236.917969 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: 4406000 4033.8546 20548.1599 14468.7417 256.2678 -203501.8593 2816.1060 0.0000 0.0000 52058.5074 -109320.2220 299.1810 -161378.7294 -108961.0609 299.6733 164.3214 192.1029 760562.3173 -0.7619 -1.0174 PRESSURE: 4406200 67.5193 1.08056 51.4035 1.08181 -39.7664 45.1977 51.4031 45.1971 -309.947 GPRESSURE: 4406200 87.2049 44.5202 102.738 58.322 -6.32461 88.9945 -34.595 -84.4175 -277.623 PRESSAVG: 4406200 -27.7469 56.3939 17.8415 56.394 69.57 35.3489 17.8415 35.3489 18.2006 GPRESSAVG: 4406200 -27.7279 56.0897 19.7568 55.0631 69.7418 36.5799 15.914 34.4546 18.1968 TIMING: 4406200 CPU: 13763.2, 0.00309956/step Wall: 13763.2, 0.00309956/step, 0.511255 hours remaining, 236.917969 MB of memory in use. ENERGY: 4406200 3994.9874 20537.9648 14387.3482 264.9252 -203049.4905 2535.9080 0.0000 0.0000 52007.4108 -109320.9460 298.8873 -161328.3569 -108957.6423 299.7259 -94.0646 -65.5807 763425.5940 20.0079 20.0702 PRESSURE: 4406400 -10.1168 -21.2554 -45.832 -21.2557 -54.2975 207.694 -45.8317 207.694 -197.306 GPRESSURE: 4406400 -33.5702 -87.8332 19.351 -32.5141 10.5385 255.368 35.0001 145.635 -137.016 PRESSAVG: 4406400 -22.5936 22.8722 -38.5077 22.8722 14.1 -18.4637 -38.5077 -18.4636 -18.5398 GPRESSAVG: 4406400 -21.2886 21.1685 -39.2043 22.3827 14.5733 -18.0163 -35.8992 -16.7851 -20.0703 TIMING: 4406400 CPU: 13763.8, 0.00309861/step Wall: 13763.8, 0.00309861/step, 0.510926 hours remaining, 236.917969 MB of memory in use. ENERGY: 4406400 3948.8654 20438.7713 14490.7422 263.5746 -203260.1259 2642.7853 0.0000 0.0000 52164.3988 -109310.9883 299.7895 -161475.3871 -108948.6304 299.2459 -87.2400 -53.3492 761135.1891 -9.0111 -8.9285 PRESSURE: 4406600 308.499 23.109 -133.343 23.1085 -100.4 9.84334 -133.342 9.84319 30.9046 GPRESSURE: 4406600 277.018 68.6075 -133.17 37.0065 -23.1184 -40.3972 -216.733 60.5965 77.8837 PRESSAVG: 4406600 -17.2459 53.5672 -11.0207 53.5672 45.0841 17.2398 -11.0207 17.2397 -2.46816 GPRESSAVG: 4406600 -17.6272 54.7031 -11.4759 53.2396 44.7409 16.062 -13.2044 16.8437 -2.06309 TIMING: 4406600 CPU: 13764.5, 0.00310986/step Wall: 13764.5, 0.00310986/step, 0.512609 hours remaining, 236.917969 MB of memory in use. ENERGY: 4406600 4036.4610 20449.3683 14455.8564 237.2231 -203618.3309 2991.3656 0.0000 0.0000 52073.8299 -109374.2265 299.2690 -161448.0564 -109013.2907 299.5086 79.6678 110.5945 762155.1254 8.4567 8.3502 PRESSURE: 4406800 -289.773 14.9346 -110.627 14.9345 -369.662 -293.472 -110.628 -293.472 -44.9984 GPRESSURE: 4406800 -348.961 -86.8227 -141.845 40.5291 -264.759 -206.593 51.4559 -363.589 -8.47393 PRESSAVG: 4406800 -38.7335 -16.4266 -2.87342 -16.4266 22.0883 -17.3269 -2.87347 -17.3269 -5.04809 GPRESSAVG: 4406800 -39.3166 -16.7413 -1.85159 -15.4083 21.2166 -17.2713 -1.25288 -18.3168 -4.091 TIMING: 4406800 CPU: 13765.1, 0.00310252/step Wall: 13765.1, 0.00310252/step, 0.511227 hours remaining, 236.917969 MB of memory in use. ENERGY: 4406800 4005.1855 20407.3662 14468.9984 257.8750 -203065.8875 2539.3356 0.0000 0.0000 51901.2588 -109485.8681 298.2772 -161387.1269 -109126.5148 299.1787 -234.8111 -207.3979 764176.5019 -7.2311 -7.3970 PRESSURE: 4407000 -185.168 258.208 26.0125 258.207 42.8876 40.9518 26.013 40.9512 61.7413 GPRESSURE: 4407000 -140.08 236.888 3.02964 178.815 69.2772 123.493 60.6642 4.64833 78.7457 PRESSAVG: 4407000 -29.0948 61.772 -43.4254 61.772 7.4113 20.8799 -43.4254 20.8799 8.14052 GPRESSAVG: 4407000 -30.0509 64.7706 -44.7883 58.9776 7.65694 19.2014 -44.9258 23.0157 8.95493 TIMING: 4407000 CPU: 13765.7, 0.00310396/step Wall: 13765.7, 0.00310396/step, 0.511291 hours remaining, 236.917969 MB of memory in use. ENERGY: 4407000 4037.6149 20570.9528 14451.6775 259.2700 -203562.8736 2832.3956 0.0000 0.0000 51904.6889 -109506.2739 298.2970 -161410.9627 -109144.4895 299.0753 -26.8464 2.6478 761212.1695 -4.5143 -4.4797 PRESSURE: 4407200 -285.725 193.904 -155.499 193.905 -109.974 49.2665 -155.499 49.2666 -46.254 GPRESSURE: 4407200 -212.268 207.279 -115.522 124.044 -133.278 174.938 -216.27 58.7968 4.05761 PRESSAVG: 4407200 -31.1548 1.97072 -26.6207 1.97075 3.76964 -32.5299 -26.6207 -32.53 -23.0525 GPRESSAVG: 4407200 -29.58 1.40463 -25.1647 2.89949 2.99764 -30.8602 -27.4581 -35.3898 -23.7514 TIMING: 4407200 CPU: 13766.3, 0.00312538/step Wall: 13766.3, 0.00312538/step, 0.514646 hours remaining, 236.917969 MB of memory in use. ENERGY: 4407200 3996.3581 20467.6081 14457.8871 254.2718 -203125.0821 2454.1577 0.0000 0.0000 51896.4679 -109598.3314 298.2497 -161494.7993 -109243.0939 298.8045 -147.3177 -113.8295 763028.4785 -16.8126 -16.7779 PRESSURE: 4407400 445.877 79.3172 26.2567 79.3162 78.5978 151.478 26.2575 151.479 361.55 GPRESSURE: 4407400 430.024 160.686 -5.69406 -22.8219 122.67 184.326 -21.7779 138.106 407.644 PRESSAVG: 4407400 -29.7858 12.5664 4.17199 12.5664 84.976 -4.13605 4.17199 -4.13601 6.72147 GPRESSAVG: 4407400 -29.7236 11.0399 3.06848 15.1191 85.3885 -2.82401 4.7088 -2.03674 6.04004 TIMING: 4407400 CPU: 13766.9, 0.00311752/step Wall: 13766.9, 0.00311752/step, 0.513178 hours remaining, 236.917969 MB of memory in use. ENERGY: 4407400 3986.1309 20553.3126 14472.3328 244.6000 -203654.5095 2762.0715 0.0000 0.0000 52017.6988 -109618.3630 298.9464 -161636.0618 -109252.3428 298.4450 295.3417 320.1127 760712.0340 20.6372 20.5683 PRESSURE: 4407600 -244.097 63.5228 -13.4092 63.5227 -275.9 7.89872 -13.41 7.89856 430.032 GPRESSURE: 4407600 -146.002 65.7097 -24.0314 -60.7519 -278.252 189.251 -33.22 -113.535 418.457 PRESSAVG: 4407600 11.8639 1.86163 24.3489 1.86168 -28.1804 37.7378 24.3489 37.7378 -9.60587 GPRESSAVG: 4407600 10.6472 0.273402 22.935 0.844334 -27.8336 36.6338 25.1404 37.8925 -9.07266 TIMING: 4407600 CPU: 13767.6, 0.00311527/step Wall: 13767.6, 0.00311527/step, 0.512635 hours remaining, 236.917969 MB of memory in use. ENERGY: 4407600 3982.5598 20463.6861 14529.1702 255.3660 -203240.3964 2448.6920 0.0000 0.0000 51889.6635 -109671.2589 298.2106 -161560.9224 -109327.1103 298.8357 -29.9883 -1.9322 763751.2870 -8.6408 -8.7530 PRESSURE: 4407800 -395.186 45.0493 119.529 45.0484 -22.7637 -50.6304 119.529 -50.6307 227.841 GPRESSURE: 4407800 -237.614 42.9651 109.986 12.0766 -97.9715 -11.5863 45.0244 -21.6192 217.506 PRESSAVG: 4407800 2.03378 -28.4907 -24.0735 -28.4907 3.53062 9.06509 -24.0735 9.06519 19.5442 GPRESSAVG: 4407800 1.94407 -29.1597 -21.6424 -28.5343 3.38017 7.96565 -25.0777 8.82814 19.7543 TIMING: 4407800 CPU: 13768.2, 0.00309874/step Wall: 13768.2, 0.00309874/step, 0.509743 hours remaining, 236.917969 MB of memory in use. ENERGY: 4407800 3914.8781 20538.4724 14468.8599 245.4150 -203799.1879 2839.7847 0.0000 0.0000 51940.7646 -109851.0133 298.5043 -161791.7779 -109492.8950 298.1822 -63.3696 -39.3597 762663.8141 8.3695 8.3595 PRESSURE: 4408000 75.828 16.3053 210.178 16.305 174.706 -139.96 210.177 -139.961 370.466 GPRESSURE: 4408000 111.948 -38.1818 151.554 -90.6326 213.476 -103.328 288.028 61.6249 392.426 PRESSAVG: 4408000 17.7771 -39.2633 -49.0795 -39.2633 46.8224 36.3736 -49.0796 36.3736 -10.0663 GPRESSAVG: 4408000 17.9223 -36.934 -50.1756 -39.6894 46.5214 37.0803 -47.8478 36.6629 -9.77149 TIMING: 4408000 CPU: 13768.8, 0.0031181/step Wall: 13768.8, 0.0031181/step, 0.512754 hours remaining, 236.917969 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: 4408000 3984.3307 20573.3478 14499.8658 220.6440 -204143.1995 2987.0095 0.0000 0.0000 52007.4006 -109870.6013 298.8872 -161878.0018 -109519.1416 298.4741 207.0001 239.2834 762302.9618 18.1777 18.2241 PRESSURE: 4408200 -124.748 -136.816 -198.468 -136.814 189.852 24.87 -198.467 24.8695 -204.478 GPRESSURE: 4408200 -101.299 -85.6613 -202.12 -160.271 213.936 84.7166 -356.88 6.65005 -175.296 PRESSAVG: 4408200 25.1256 -58.3295 -14.847 -58.3295 -20.3489 4.38764 -14.8471 4.38767 22.0927 GPRESSAVG: 4408200 26.0599 -57.3449 -14.7303 -59.0874 -19.593 5.12805 -15.7352 4.34555 20.5825 TIMING: 4408200 CPU: 13769.4, 0.00311704/step Wall: 13769.4, 0.00311704/step, 0.512407 hours remaining, 236.917969 MB of memory in use. ENERGY: 4408200 3997.4194 20401.9256 14418.8962 247.1656 -203618.8741 2643.5742 0.0000 0.0000 52054.9321 -109854.9610 299.1604 -161909.8931 -109507.3445 298.3944 -46.4579 -20.8865 761859.4748 8.9565 9.0164 LDB: ============= START OF LOAD BALANCING ============== 13781.9 LDB: ============== END OF LOAD BALANCING =============== 13781.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13781.9 LDB: ============= START OF LOAD BALANCING ============== 13782.2 LDB: Largest compute 7026 load 0.030344 is 15.5% of average load 0.195189 LDB: Average compute 0.004404 is 2.3% of average load 0.195189 LDB: TIME 13782.2 LOAD: AVG 0.195189 MAX 0.217334 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.359 MB LDB: TIME 13782.2 LOAD: AVG 0.195189 MAX 0.217334 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.359 MB LDB: TIME 13782.2 LOAD: AVG 0.195189 MAX 0.217334 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.359 MB LDB: ============== END OF LOAD BALANCING =============== 13782.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13782.2 PRESSURE: 4408400 102.439 -51.5805 78.6747 -51.5811 -174.465 -269.06 78.675 -269.06 151.879 GPRESSURE: 4408400 115.33 183.207 68.0542 84.1837 -166.345 -369.88 83.7289 -151.43 231.801 PRESSAVG: 4408400 -23.1315 21.3435 26.474 21.3435 -9.43938 18.9408 26.474 18.9409 -1.91506 GPRESSAVG: 4408400 -24.7014 20.9106 26.8188 21.2967 -9.22664 17.2794 27.6789 19.4978 -0.802616 TIMING: 4408400 CPU: 13770.1, 0.00318891/step Wall: 13770.1, 0.00318891/step, 0.524045 hours remaining, 232.968750 MB of memory in use. ENERGY: 4408400 3925.6169 20706.1599 14392.0095 241.6716 -203306.9064 2644.8568 0.0000 0.0000 51577.0059 -109819.5858 296.4138 -161396.5917 -109486.7562 298.4661 26.6178 60.2618 761113.6688 -11.4953 -11.5769 PRESSURE: 4408600 -204.839 -36.9463 -180.998 -36.9461 -356.614 -118.246 -180.999 -118.246 -36.6332 GPRESSURE: 4408600 -271.619 -5.12983 -194.684 85.4968 -229.085 -48.6032 -68.2912 -103.656 -6.40498 PRESSAVG: 4408600 -37.7037 3.38289 -64.5542 3.3828 47.1744 -38.0324 -64.5542 -38.0324 5.08792 GPRESSAVG: 4408600 -36.859 2.31655 -62.9842 2.85599 47.5453 -35.6209 -64.1361 -38.1975 3.88472 TIMING: 4408600 CPU: 13770.7, 0.00313668/step Wall: 13770.7, 0.00313668/step, 0.515287 hours remaining, 233.003906 MB of memory in use. ENERGY: 4408600 3988.3627 20609.7169 14403.2251 244.6137 -203125.0585 2526.0146 0.0000 0.0000 51786.9482 -109566.1772 297.6203 -161353.1255 -109215.3419 298.4139 -199.3623 -169.0362 763862.7097 4.8529 4.8570 PRESSURE: 4408800 83.7937 -184.015 20.5367 -184.016 55.1093 154.037 20.536 154.037 240.944 GPRESSURE: 4408800 99.4269 -138.955 156.111 -157.397 116.296 218.485 -34.6349 172.369 231.989 PRESSAVG: 4408800 -37.2497 -30.7082 -44.567 -30.7082 25.9858 4.80095 -44.567 4.80092 15.7089 GPRESSAVG: 4408800 -37.8612 -31.7473 -47.4566 -27.1984 25.7837 2.63301 -44.4131 5.75008 16.2747 TIMING: 4408800 CPU: 13771.3, 0.00312271/step Wall: 13771.3, 0.00312271/step, 0.512819 hours remaining, 233.003906 MB of memory in use. ENERGY: 4408800 3888.0411 20565.6378 14448.4589 269.9380 -203268.3584 2683.2827 0.0000 0.0000 51989.9947 -109423.0051 298.7872 -161412.9998 -109061.9972 299.0982 126.6157 149.2373 761586.1111 1.4816 1.3991 PRESSURE: 4409000 -11.0601 -108.243 65.4214 -108.243 193.347 102.314 65.4212 102.313 217 GPRESSURE: 4409000 -13.5575 -217.775 95.9626 -160.985 309.741 35.7379 69.8904 -0.553024 168.03 PRESSAVG: 4409000 0.676196 -39.6166 10.2344 -39.6166 39.9363 30.0262 10.2343 30.0263 3.19016 GPRESSAVG: 4409000 0.973882 -40.5207 11.4637 -41.3775 41.0411 30.6324 9.73452 28.4425 1.65112 TIMING: 4409000 CPU: 13771.9, 0.00311686/step Wall: 13771.9, 0.00311686/step, 0.511685 hours remaining, 233.003906 MB of memory in use. ENERGY: 4409000 3973.6072 20479.4556 14451.8015 240.7173 -203263.9001 2644.1450 0.0000 0.0000 52141.2038 -109332.9698 299.6562 -161474.1735 -108972.5345 299.4261 133.0956 154.7377 760887.5267 14.6009 14.5554 PRESSURE: 4409200 98.8964 210.155 115.794 210.155 196.08 43.1404 115.794 43.142 -10.3507 GPRESSURE: 4409200 137.843 146.581 83.7855 -13.8128 225.346 72.0735 2.41642 45.659 25.5389 PRESSAVG: 4409200 2.15603 -78.3741 -14.9877 -78.3741 -23.3654 30.203 -14.9877 30.203 16.5347 GPRESSAVG: 4409200 2.01896 -75.9687 -13.582 -79.8916 -25.8426 28.868 -15.7415 29.088 19.2132 TIMING: 4409200 CPU: 13772.6, 0.00313089/step Wall: 13772.6, 0.00313089/step, 0.513813 hours remaining, 233.003906 MB of memory in use. ENERGY: 4409200 3959.4895 20463.8945 14494.8128 259.9568 -203142.7405 2615.3656 0.0000 0.0000 52042.9905 -109306.2307 299.0918 -161349.2212 -108943.9303 299.1070 94.8753 129.5761 762961.4192 -1.5582 -1.5368 PRESSURE: 4409400 -442.193 -204.411 -51.9084 -204.412 -55.0267 211.611 -51.9085 211.61 -207.09 GPRESSURE: 4409400 -323.378 -187.794 -8.02381 -152.318 -152.805 125.394 -114.603 32.8328 -138.909 PRESSAVG: 4409400 19.7205 -23.3115 8.42567 -23.3115 14.2952 33.4048 8.42562 33.4048 15.8959 GPRESSAVG: 4409400 19.0999 -23.4545 7.02436 -22.7713 16.3203 34.5156 6.96448 33.4569 14.1377 TIMING: 4409400 CPU: 13773.2, 0.0031201/step Wall: 13773.2, 0.0031201/step, 0.511869 hours remaining, 233.003906 MB of memory in use. ENERGY: 4409400 4038.4273 20488.0368 14386.0444 229.3948 -202870.4430 2567.8343 0.0000 0.0000 51943.6042 -109217.1013 298.5206 -161160.7055 -108853.2949 299.1509 -234.7697 -205.0307 763010.6987 16.6372 16.5193 PRESSURE: 4409600 -26.5383 38.4558 -132.728 38.4549 -0.987995 -14.9919 -132.728 -14.9918 -524.241 GPRESSURE: 4409600 66.6904 -2.13871 -105.282 25.6605 -59.8556 101.188 22.154 -107.612 -505.259 PRESSAVG: 4409600 -29.4779 -31.5018 -16.9279 -31.5018 28.9844 -14.1054 -16.9279 -14.1054 -21.016 GPRESSAVG: 4409600 -29.0579 -32.4947 -17.6046 -29.9586 28.868 -11.2181 -14.2038 -14.2675 -21.159 TIMING: 4409600 CPU: 13773.8, 0.00312672/step Wall: 13773.8, 0.00312672/step, 0.512782 hours remaining, 233.003906 MB of memory in use. ENERGY: 4409600 4025.6319 20508.2386 14491.0027 256.7646 -203421.7284 2779.5801 0.0000 0.0000 52192.4528 -109168.0578 299.9507 -161360.5105 -108803.9910 299.5267 -183.9224 -166.1413 763146.3967 -7.1699 -7.1163 PRESSURE: 4409800 -118.562 21.123 75.5889 21.1229 4.21341 -357.767 75.589 -357.769 -38.9041 GPRESSURE: 4409800 -35.483 -28.0038 195.374 -64.0348 -53.3625 -375.542 62.1915 -212.859 34.9893 PRESSAVG: 4409800 -14.4432 -29.6496 5.01501 -29.6496 0.158938 -1.79928 5.01506 -1.79928 -1.48465 GPRESSAVG: 4409800 -14.1879 -27.9638 6.64258 -30.5454 -0.342013 -5.32134 3.31366 -0.147944 -1.27193 TIMING: 4409800 CPU: 13774.4, 0.003133/step Wall: 13774.4, 0.00313299/step, 0.513637 hours remaining, 233.003906 MB of memory in use. ENERGY: 4409800 4023.6905 20698.5843 14412.1507 248.4712 -203561.7249 2749.2550 0.0000 0.0000 52276.1026 -109153.4706 300.4315 -161429.5732 -108786.6776 300.1471 -51.0843 -17.9521 761738.9086 -5.2563 -5.2673 PRESSURE: 4410000 -275.153 285.106 75.7317 285.106 174.828 -94.8222 75.7321 -94.8224 38.6231 GPRESSURE: 4410000 -161.34 192.68 85.9757 318.751 189.399 -133.188 99.2738 -15.61 1.74138 PRESSAVG: 4410000 -0.666928 -28.7658 0.253916 -28.7659 -0.994821 -43.513 0.253966 -43.513 19.8515 GPRESSAVG: 4410000 -0.812375 -30.1438 -0.165918 -27.4679 -0.508387 -43.4754 0.523112 -45.331 19.3831 TIMING: 4410000 CPU: 13775.1, 0.00313726/step Wall: 13775.1, 0.00313726/step, 0.514162 hours remaining, 232.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4410000 4016.0120 20677.8880 14429.8258 251.9605 -203406.0477 2604.8608 0.0000 0.0000 52341.8103 -109083.6903 300.8091 -161425.5006 -108717.7852 299.8828 -20.5671 9.9337 761586.5587 6.0632 6.0208 PRESSURE: 4410200 -313.38 33.0822 -185.402 33.083 -252.323 7.2128 -185.403 7.21172 -308.555 GPRESSURE: 4410200 -188.289 45.1653 -162.903 29.0664 -240.237 -68.5723 -104.092 21.2946 -343.896 PRESSAVG: 4410200 -1.44436 4.1215 -18.1701 4.12149 4.38931 30.8695 -18.1702 30.8695 -1.38825 GPRESSAVG: 4410200 -1.01231 5.22389 -18.303 3.22433 3.92065 32.8835 -16.9878 29.8736 -1.17599 TIMING: 4410200 CPU: 13775.7, 0.00311769/step Wall: 13775.7, 0.00311769/step, 0.510781 hours remaining, 232.992188 MB of memory in use. ENERGY: 4410200 4066.5309 20368.2308 14455.7698 260.3737 -203268.2109 2307.2460 0.0000 0.0000 52366.4866 -109443.5731 300.9509 -161810.0597 -109068.6599 299.9378 -291.4192 -257.4742 762420.4005 0.5189 0.5775 PRESSURE: 4410400 49.0137 97.6641 18.2278 97.6641 93.6458 -75.7575 18.2285 -75.758 157.846 GPRESSURE: 4410400 83.5694 -5.83965 -6.75419 142.228 126.335 -5.7809 -18.2531 -85.8114 188.326 PRESSAVG: 4410400 -20.5876 -29.6112 28.676 -29.6112 -12.7501 -3.25412 28.676 -3.25419 -24.3208 GPRESSAVG: 4410400 -20.4983 -30.3058 28.0587 -28.8886 -11.5688 -4.24878 27.4786 0.00803711 -25.5606 TIMING: 4410400 CPU: 13776.3, 0.00311063/step Wall: 13776.3, 0.00311063/step, 0.509452 hours remaining, 232.992188 MB of memory in use. ENERGY: 4410400 3917.2631 20697.7464 14477.0678 249.5185 -203495.1771 2671.6792 0.0000 0.0000 52002.1709 -109479.7312 298.8572 -161481.9021 -109114.7841 299.3954 100.1685 132.7435 762300.4433 -19.2195 -19.2092 PRESSURE: 4410600 54.912 30.0907 135.96 30.0899 158.427 -151.775 135.959 -151.775 216.559 GPRESSURE: 4410600 138.167 -110.777 97.0671 -34.0056 205.891 -69.0707 173.1 -173.166 160.201 PRESSAVG: 4410600 -42.7698 -15.3203 -5.99007 -15.3203 82.5977 -12.0467 -5.99012 -12.0467 14.2632 GPRESSAVG: 4410600 -45.1511 -15.778 -5.46601 -17.2493 83.6778 -12.6839 -4.62767 -13.5547 14.6881 TIMING: 4410600 CPU: 13776.9, 0.00313277/step Wall: 13776.9, 0.00313277/step, 0.512904 hours remaining, 232.992188 MB of memory in use. ENERGY: 4410600 3946.6888 20594.1849 14455.3470 238.4672 -203806.1781 2725.1846 0.0000 0.0000 52248.2123 -109598.0932 300.2712 -161846.3055 -109230.9102 299.4870 143.2994 168.0861 761514.2234 18.0304 17.7383 PRESSURE: 4410800 -617.295 -59.5808 24.4371 -59.5804 -2.17114 104.088 24.4374 104.09 -50.2547 GPRESSURE: 4410800 -552.569 -21.7882 -54.1913 -97.0072 3.09043 87.1159 1.48547 38.9342 -47.1703 PRESSAVG: 4410800 -48.5002 -34.1688 4.93926 -34.1688 54.6175 20.5373 4.93925 20.5373 40.8455 GPRESSAVG: 4410800 -46.1038 -32.0523 4.18192 -32.7711 52.9225 20.0273 4.44017 20.1476 40.6281 TIMING: 4410800 CPU: 13777.6, 0.00312435/step Wall: 13777.6, 0.00312435/step, 0.511352 hours remaining, 233.003906 MB of memory in use. ENERGY: 4410800 3957.1711 20578.7519 14437.2433 240.6271 -203660.0007 2726.8565 0.0000 0.0000 52073.3358 -109646.0149 299.2662 -161719.3508 -109278.5759 299.0729 -223.2402 -198.8828 762648.1453 15.6543 15.8156 PRESSURE: 4411000 -124.4 246.666 7.5703 246.665 314.718 12.9829 7.57044 12.9838 413.477 GPRESSURE: 4411000 -104.519 137.986 81.993 254.808 347.147 5.25057 -157.164 50.948 422.614 PRESSAVG: 4411000 -39.1891 -12.7295 -22.0961 -12.7296 2.39765 -7.07135 -22.0962 -7.07136 7.03742 GPRESSAVG: 4411000 -39.9004 -13.3712 -20.9574 -13.1356 1.83214 -4.24355 -24.679 -8.69817 8.14374 TIMING: 4411000 CPU: 13778.2, 0.00311559/step Wall: 13778.2, 0.00311559/step, 0.509745 hours remaining, 233.003906 MB of memory in use. ENERGY: 4411000 3960.0733 20401.2663 14410.0846 250.2470 -203305.2315 2696.6831 0.0000 0.0000 51951.5724 -109635.3047 298.5664 -161586.8771 -109273.9382 298.4409 201.2652 221.7473 761756.4447 -9.9180 -9.9748 PRESSURE: 4411200 -153.326 -166.762 80.9587 -166.761 -337.463 -40.6703 80.9584 -40.6716 -57.2506 GPRESSURE: 4411200 -194.485 -162.244 101.279 -144.123 -265.183 -32.8157 114.634 48.6633 7.41381 PRESSAVG: 4411200 -49.5042 -28.7479 32.8718 -28.748 18.2825 -33.4712 32.8719 -33.4713 1.43194 GPRESSAVG: 4411200 -49.8474 -27.7082 33.5313 -26.4038 19.6992 -34.9085 35.5617 -31.8884 0.92566 TIMING: 4411200 CPU: 13778.8, 0.00314182/step Wall: 13778.8, 0.00314182/step, 0.513863 hours remaining, 233.003906 MB of memory in use. ENERGY: 4411200 3893.7878 20589.3051 14484.9077 255.4382 -203112.3303 2376.4908 0.0000 0.0000 51974.6250 -109537.7757 298.6989 -161512.4006 -109168.7479 298.6739 -182.6799 -150.7512 762674.3921 -9.9299 -9.7409 PRESSURE: 4411400 51.6277 -122.104 81.9255 -122.104 -70.938 85.2236 81.9251 85.2236 -102.933 GPRESSURE: 4411400 125.925 -55.0211 -10.7414 -144.36 11.2371 50.8499 89.9671 -7.66311 -150.959 PRESSAVG: 4411400 -24.2133 -29.0749 -24.2122 -29.0748 -6.35319 4.37954 -24.2122 4.37954 -0.496348 GPRESSAVG: 4411400 -23.6114 -30.2229 -25.2454 -31.8694 -6.91579 4.06282 -22.8845 3.97043 -0.4521 TIMING: 4411400 CPU: 13779.4, 0.00312218/step Wall: 13779.4, 0.00312218/step, 0.510477 hours remaining, 232.980469 MB of memory in use. ENERGY: 4411400 3963.5355 20460.5171 14549.6161 262.2603 -203180.4001 2505.2213 0.0000 0.0000 51947.0720 -109492.1778 298.5405 -161439.2498 -109136.7801 298.9199 -40.7478 -4.5989 762073.4466 -10.3543 -10.3264 PRESSURE: 4411600 64.5355 -38.1883 46.1852 -38.1882 2.95967 70.8938 46.1855 70.8936 -26.9505 GPRESSURE: 4411600 141.739 -102.229 113.228 -63.8092 -17.7048 65.1219 30.3006 102.879 -12.4909 PRESSAVG: 4411600 -25.2013 -82.8034 28.0983 -82.8034 32.089 12.9952 28.0983 12.9952 -5.3436 GPRESSAVG: 4411600 -26.1556 -81.5449 28.7445 -82.3922 31.9766 13.7268 28.1011 13.3756 -4.77234 TIMING: 4411600 CPU: 13780.1, 0.00311694/step Wall: 13780.1, 0.00311694/step, 0.509446 hours remaining, 232.980469 MB of memory in use. ENERGY: 4411600 3953.7930 20494.2188 14549.3826 236.5093 -203175.2338 2513.1720 0.0000 0.0000 51894.6216 -109533.5364 298.2391 -161428.1580 -109177.2776 298.9533 13.5149 37.1813 760920.7867 0.5147 0.3495 PRESSURE: 4411800 85.3197 -249.506 72.3527 -249.506 -184.435 -209.021 72.3526 -209.021 132.861 GPRESSURE: 4411800 51.6984 -230.842 92.728 -273.941 -73.1557 -193.601 -46.4527 -150.715 130.515 PRESSAVG: 4411800 2.74104 -42.2031 -6.64064 -42.2031 19.5773 -28.2288 -6.64066 -28.2288 -16.0074 GPRESSAVG: 4411800 2.48653 -43.6886 -8.50075 -41.0418 20.1175 -28.4132 -8.10189 -30.1899 -15.6941 TIMING: 4411800 CPU: 13780.7, 0.00311046/step Wall: 13780.7, 0.00311046/step, 0.508215 hours remaining, 233.003906 MB of memory in use. ENERGY: 4411800 3971.7773 20443.4216 14526.4144 269.8905 -203616.1788 2667.7995 0.0000 0.0000 51938.3043 -109798.5712 298.4901 -161736.8755 -109439.9200 298.9275 11.2487 36.3526 760228.4254 2.1037 2.3033 PRESSURE: 4412000 -29.4591 -365.017 197.528 -365.017 -43.6948 -122.815 197.529 -122.816 18.0698 GPRESSURE: 4412000 45.0035 -334.502 107.334 -287.828 -22.5765 -89.1708 244.013 -127.394 -0.263969 PRESSAVG: 4412000 -48.1304 -34.2068 -14.4434 -34.2068 9.54796 -30.131 -14.4434 -30.131 -9.31222 GPRESSAVG: 4412000 -46.2721 -33.3946 -14.136 -34.8744 8.29185 -29.0134 -13.0453 -29.0946 -9.77719 TIMING: 4412000 CPU: 13781.3, 0.00312147/step Wall: 13781.3, 0.00312147/step, 0.50984 hours remaining, 233.003906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4412000 4009.1527 20362.4746 14420.7535 241.8614 -203702.9584 2873.0222 0.0000 0.0000 51789.5472 -110006.1468 297.6352 -161795.6940 -109662.4816 298.1748 -18.3614 7.3877 762561.8943 -15.9649 -15.9191 PRESSURE: 4412200 -25.8047 207.407 68.2132 207.407 354.942 316.282 68.2123 316.281 274.856 GPRESSURE: 4412200 -34.5314 247.729 40.3944 130.417 444.306 291.529 57.4962 380.192 288.483 PRESSAVG: 4412200 -28.4954 -13.8781 31.7167 -13.8781 24.6265 -13.3258 31.7166 -13.3257 5.08924 GPRESSAVG: 4412200 -27.8892 -15.2635 32.4932 -18.1943 24.8296 -14.4257 28.8238 -12.8904 4.00063 TIMING: 4412200 CPU: 13781.9, 0.00315076/step Wall: 13781.9, 0.00315076/step, 0.514449 hours remaining, 233.003906 MB of memory in use. ENERGY: 4412200 3948.5543 20558.3510 14469.2210 255.1437 -203720.5635 2580.2786 0.0000 0.0000 51989.3517 -109919.6632 298.7835 -161909.0150 -109559.3615 298.0315 201.3311 232.7526 760933.1531 0.4068 0.3136 LDB: ============= START OF LOAD BALANCING ============== 13794.4 LDB: ============== END OF LOAD BALANCING =============== 13794.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13794.4 LDB: ============= START OF LOAD BALANCING ============== 13794.7 LDB: Largest compute 7026 load 0.030582 is 15.7% of average load 0.195300 LDB: Average compute 0.004390 is 2.2% of average load 0.195300 LDB: TIME 13794.7 LOAD: AVG 0.1953 MAX 0.214578 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.027 MB LDB: TIME 13794.7 LOAD: AVG 0.1953 MAX 0.214578 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.031 MB LDB: TIME 13794.7 LOAD: AVG 0.1953 MAX 0.214578 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.031 MB LDB: ============== END OF LOAD BALANCING =============== 13794.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13794.8 PRESSURE: 4412400 -278.687 23.5518 8.98265 23.5513 -11.4657 -116.082 8.98282 -116.083 -93.4981 GPRESSURE: 4412400 -257.818 37.2722 76.2491 -52.8988 41.397 -128.731 45.8534 -151.566 -62.5041 PRESSAVG: 4412400 14.1624 -41.7806 -21.8516 -41.7807 -20.0574 -3.73044 -21.8515 -3.73041 -5.18099 GPRESSAVG: 4412400 13.5316 -40.8238 -21.9049 -37.7811 -20.7511 -4.69997 -20.4595 -3.88375 -3.74464 TIMING: 4412400 CPU: 13782.6, 0.00320181/step Wall: 13782.6, 0.00320181/step, 0.522606 hours remaining, 234.507812 MB of memory in use. ENERGY: 4412400 4009.0571 20268.6416 14549.4676 247.2995 -203560.1223 2512.2924 0.0000 0.0000 52048.1974 -109925.1666 299.1217 -161973.3640 -109548.3303 298.5116 -127.8835 -92.9749 761673.2037 -3.6920 -3.6547 PRESSURE: 4412600 267.716 27.0873 -48.7668 27.087 211.953 -145.277 -48.7665 -145.277 79.8717 GPRESSURE: 4412600 291.868 40.3121 -20.55 21.2676 257.368 -138.044 -73.2518 -260.364 70.6726 PRESSAVG: 4412600 29.8754 -24.1887 -24.588 -24.1886 -30.2126 -20.7111 -24.588 -20.7111 -2.65436 GPRESSAVG: 4412600 29.1333 -22.7052 -24.8814 -24.9487 -27.9172 -21.1816 -24.5726 -19.6217 -4.05255 TIMING: 4412600 CPU: 13783.2, 0.00313536/step Wall: 13783.2, 0.00313537/step, 0.511587 hours remaining, 235.089844 MB of memory in use. ENERGY: 4412600 4038.4530 20451.8292 14390.2974 254.1287 -203723.3830 2767.4895 0.0000 0.0000 52017.6604 -109803.5247 298.9462 -161821.1851 -109445.6684 298.5670 186.5135 206.6361 760295.4494 -0.9972 -0.9455 PRESSURE: 4412800 -117.284 92.6257 -8.26227 92.6253 -476.352 -212.282 -8.26261 -212.282 -214.89 GPRESSURE: 4412800 -94.8249 3.91447 42.8449 -6.43703 -422.23 -195.059 90.976 -327.408 -211.242 PRESSAVG: 4412800 -21.4208 -20.0079 6.12727 -20.0079 5.12498 -39.4129 6.12733 -39.4129 6.94932 GPRESSAVG: 4412800 -21.512 -21.4664 5.52015 -21.0179 3.40524 -37.2783 6.64575 -40.4366 8.61219 TIMING: 4412800 CPU: 13783.8, 0.00311169/step Wall: 13783.8, 0.00311169/step, 0.507551 hours remaining, 235.105469 MB of memory in use. ENERGY: 4412800 4035.7460 20340.3654 14490.7214 263.4370 -203665.1993 2785.2817 0.0000 0.0000 51987.5989 -109762.0489 298.7734 -161749.6478 -109395.0847 298.3962 -269.5088 -242.7657 762444.3389 -3.1155 -3.1648 PRESSURE: 4413000 -106.334 -58.8092 -51.7553 -58.8093 -7.96365 183.572 -51.755 183.572 268.26 GPRESSURE: 4413000 -61.7889 52.8052 -113.696 -103.789 -13.3427 135.549 -85.9454 102.848 316.354 PRESSAVG: 4413000 7.63377 -18.5044 15.5673 -18.5044 22.3594 -51.122 15.5673 -51.1219 6.76471 GPRESSAVG: 4413000 7.41025 -18.5902 14.6867 -18.0068 23.1394 -52.5896 13.0797 -49.6723 7.09714 TIMING: 4413000 CPU: 13784.5, 0.00312662/step Wall: 13784.5, 0.00312662/step, 0.509813 hours remaining, 235.105469 MB of memory in use. ENERGY: 4413000 3912.1104 20377.5454 14478.6651 247.7497 -203426.4422 2597.5785 0.0000 0.0000 52022.2448 -109790.5482 298.9726 -161812.7930 -109427.9156 298.1623 51.3209 80.4076 762141.6759 12.2526 12.5489 PRESSURE: 4413200 86.9672 117.494 26.9883 117.495 347.714 -235.33 26.9884 -235.33 204.047 GPRESSURE: 4413200 178.476 46.6416 21.5078 100.155 294.76 -147.438 74.2769 -386.515 251.382 PRESSAVG: 4413200 -31.6185 -39.8688 25.9378 -39.8688 44.4182 -94.4278 25.9378 -94.4278 -20.7421 GPRESSAVG: 4413200 -30.3641 -40.2751 27.3185 -39.8771 44.3068 -93.4701 28.3591 -94.3289 -21.8699 TIMING: 4413200 CPU: 13785.1, 0.00312806/step Wall: 13785.1, 0.00312806/step, 0.509874 hours remaining, 235.105469 MB of memory in use. ENERGY: 4413200 4038.8828 20543.2391 14458.8035 254.7151 -203700.2822 2786.7277 0.0000 0.0000 52140.3981 -109477.5159 299.6516 -161617.9141 -109114.7045 298.7882 212.9093 241.5393 761177.5521 -2.6475 -2.6424 PRESSURE: 4413400 -114.735 46.4251 155.375 46.426 -258.419 -78.4099 155.375 -78.4102 -134.976 GPRESSURE: 4413400 -78.4561 135.665 190.218 -2.08545 -200.106 -65.3863 291.964 -123.271 -132.336 PRESSAVG: 4413400 -21.4853 6.66022 -8.53932 6.66019 19.4769 -29.9209 -8.53933 -29.9209 14.8665 GPRESSAVG: 4413400 -23.4714 6.19611 -9.21699 5.34763 19.6358 -29.991 -8.32321 -30.2477 16.3003 TIMING: 4413400 CPU: 13785.7, 0.00312197/step Wall: 13785.7, 0.00312197/step, 0.508708 hours remaining, 235.105469 MB of memory in use. ENERGY: 4413400 4026.9491 20561.3000 14494.6921 240.3013 -203543.5868 2597.8471 0.0000 0.0000 52011.7832 -109610.7139 298.9124 -161622.4971 -109239.9341 299.1649 -169.3770 -136.9660 762655.6570 4.2860 4.1549 PRESSURE: 4413600 168.628 -50.5192 -30.9219 -50.5198 23.4506 137.054 -30.9224 137.054 -303.388 GPRESSURE: 4413600 202.479 6.76761 7.35429 -113.554 10.4914 131.611 -41.1077 121.153 -240.696 PRESSAVG: 4413600 -0.111949 5.0019 58.121 5.0019 40.984 -61.6447 58.1209 -61.6447 14.877 GPRESSAVG: 4413600 0.494403 5.23147 57.0939 7.25747 41.4108 -62.3181 57.8131 -62.0783 13.5446 TIMING: 4413600 CPU: 13786.3, 0.00311785/step Wall: 13786.3, 0.00311785/step, 0.507863 hours remaining, 235.105469 MB of memory in use. ENERGY: 4413600 3989.6669 20582.8966 14472.3650 257.0370 -203249.7633 2469.0931 0.0000 0.0000 51894.9013 -109583.8035 298.2407 -161478.7047 -109215.7096 298.9683 -37.1031 -9.2419 762274.3821 18.5830 18.4833 PRESSURE: 4413800 -128.084 -63.6185 36.9901 -63.6182 -117.594 -157.943 36.9906 -157.943 -364.198 GPRESSURE: 4413800 -68.8337 -26.4812 -14.1429 -182.639 -162.516 -135.461 63.5893 -365.327 -300.956 PRESSAVG: 4413800 -2.37701 -25.6699 -21.1443 -25.6699 20.2137 4.35262 -21.1442 4.35264 0.472627 GPRESSAVG: 4413800 -2.30611 -24.4643 -19.3671 -26.5996 19.1673 4.06701 -21.7774 4.58529 0.990509 TIMING: 4413800 CPU: 13787, 0.00311151/step Wall: 13787, 0.00311151/step, 0.506658 hours remaining, 235.105469 MB of memory in use. ENERGY: 4413800 3994.4897 20376.0977 14484.4476 260.1200 -203185.0325 2523.0882 0.0000 0.0000 51834.0179 -109712.7714 297.8908 -161546.7893 -109348.5269 298.9212 -203.2923 -177.4351 762124.4406 6.1031 5.9506 PRESSURE: 4414000 438.22 111.418 69.0446 111.418 -124.727 -170.909 69.0456 -170.91 -126.869 GPRESSURE: 4414000 437.152 169.056 6.66655 101.983 23.1915 -223.136 122.778 -188.765 -179.367 PRESSAVG: 4414000 32.4826 -62.3708 -6.88 -62.3708 -51.7369 -28.1677 -6.87997 -28.1677 -27.4557 GPRESSAVG: 4414000 32.3361 -62.5699 -7.609 -62.0341 -50.4136 -28.0444 -3.14247 -26.8728 -28.5538 TIMING: 4414000 CPU: 13787.6, 0.00311984/step Wall: 13787.6, 0.00311984/step, 0.50784 hours remaining, 235.089844 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: 4414000 4016.7097 20473.9734 14484.1628 249.4785 -203756.4349 2867.6203 0.0000 0.0000 52070.8781 -109593.6120 299.2521 -161664.4901 -109236.6888 298.5773 62.2081 93.6588 760042.3675 -15.5700 -15.5438 PRESSURE: 4414200 177.062 -86.3647 29.2929 -86.3647 19.9204 170.309 29.2937 170.309 -43.0023 GPRESSURE: 4414200 111.598 -44.7262 -35.7415 -97.7768 78.5676 187.778 71.9297 123.611 35.6522 PRESSAVG: 4414200 -10.3906 -48.3016 28.6584 -48.3017 22.4989 -43.6126 28.6584 -43.6126 -18.9054 GPRESSAVG: 4414200 -11.7771 -49.4485 29.1039 -46.8443 22.632 -41.7219 26.7814 -46.9597 -17.7673 TIMING: 4414200 CPU: 13788.2, 0.00312372/step Wall: 13788.2, 0.00312372/step, 0.508299 hours remaining, 235.105469 MB of memory in use. ENERGY: 4414200 4006.1382 20502.1516 14571.0741 250.8094 -203680.1508 2583.4000 0.0000 0.0000 52256.6716 -109509.9059 300.3198 -161766.5775 -109151.3074 299.0331 51.3266 75.2724 762501.7589 -2.2657 -2.3041 PRESSURE: 4414400 -145.309 94.218 -116.051 94.2172 184.572 -17.8458 -116.05 -17.8453 -190.644 GPRESSURE: 4414400 -154.142 -12.0163 -173.412 -25.6185 182.635 -119.017 -88.8012 125.416 -116.086 PRESSAVG: 4414400 25.9472 5.4999 -23.7382 5.49993 -24.6869 -18.0307 -23.7381 -18.0307 -3.50999 GPRESSAVG: 4414400 27.0284 5.25009 -23.0576 3.55211 -26.2176 -18.2297 -22.5806 -15.9721 -3.59697 TIMING: 4414400 CPU: 13788.8, 0.00312637/step Wall: 13788.8, 0.00312637/step, 0.508556 hours remaining, 235.105469 MB of memory in use. ENERGY: 4414400 4001.7630 20483.4050 14499.8333 251.8967 -203843.4241 2983.6487 0.0000 0.0000 51990.3085 -109632.5689 298.7890 -161622.8774 -109273.9970 298.8960 -50.4605 -29.1976 762394.1810 -0.7499 -0.9287 PRESSURE: 4414600 285.857 51.1268 -69.3418 51.1267 -121.123 175.502 -69.3411 175.502 174.62 GPRESSURE: 4414600 348.604 -33.2049 -34.2733 46.7994 -99.3644 199.261 -55.976 222.173 194.53 PRESSAVG: 4414600 -1.36551 -46.1212 -1.02416 -46.1212 -2.36353 -52.1235 -1.02416 -52.1235 -3.18235 GPRESSAVG: 4414600 -1.55015 -45.012 -1.41621 -45.8269 -0.5355 -52.5203 -3.70634 -51.1543 -4.48924 TIMING: 4414600 CPU: 13789.5, 0.00312146/step Wall: 13789.5, 0.00312146/step, 0.507584 hours remaining, 235.105469 MB of memory in use. ENERGY: 4414600 3972.4039 20457.9493 14487.3350 232.9586 -203721.3952 2888.0616 0.0000 0.0000 52091.9674 -109590.7193 299.3733 -161682.6867 -109232.2775 299.0824 113.1181 147.9232 761556.4318 -2.3038 -2.1916 PRESSURE: 4414800 42.6546 -17.8057 -182.915 -17.8053 138.637 131.211 -182.915 131.211 -149.026 GPRESSURE: 4414800 59.9757 52.8727 -131.461 -19.3832 176.745 164.385 -167.898 68.3337 -105.369 PRESSAVG: 4414800 3.68666 -33.3894 -28.3054 -33.3894 39.2762 -14.3482 -28.3054 -14.3482 -17.0946 GPRESSAVG: 4414800 3.92889 -34.9324 -28.2771 -33.8634 38.1485 -15.7046 -26.062 -15.3185 -15.6134 TIMING: 4414800 CPU: 13790.1, 0.00311409/step Wall: 13790.1, 0.00311409/step, 0.506212 hours remaining, 235.105469 MB of memory in use. ENERGY: 4414800 4077.7968 20608.9788 14488.2737 253.7602 -203611.6083 2746.1437 0.0000 0.0000 51825.5093 -109611.1459 297.8419 -161436.6551 -109259.2504 298.5667 10.7554 43.7839 761563.3790 8.6228 8.8213 PRESSURE: 4415000 -59.3447 49.3911 188.902 49.3908 -386.882 -212.355 188.901 -212.356 4.35542 GPRESSURE: 4415000 78.4124 12.4932 88.1996 122.086 -361.454 -168.471 89.1789 -69.1537 -58.9485 PRESSAVG: 4415000 8.66109 0.315976 -66.1671 0.315937 12.6836 -27.6217 -66.1671 -27.6217 -3.12912 GPRESSAVG: 4415000 10.555 -0.0605796 -65.9414 3.17263 11.9279 -27.084 -66.8626 -28.7846 -4.73789 TIMING: 4415000 CPU: 13790.7, 0.00312757/step Wall: 13790.7, 0.00312757/step, 0.508231 hours remaining, 235.105469 MB of memory in use. ENERGY: 4415000 4069.0481 20544.3775 14416.3642 242.7577 -203060.9270 2402.4637 0.0000 0.0000 51913.8029 -109472.1130 298.3493 -161385.9159 -109108.2042 299.3346 -147.2906 -113.9969 761796.8345 6.0718 5.9150 PRESSURE: 4415200 -75.6471 -19.3545 129.9 -19.3555 -302.712 -33.2091 129.9 -33.2096 169.985 GPRESSURE: 4415200 -135.918 -38.5839 51.8277 -98.7934 -205.375 3.29104 -13.9667 -135.826 233.889 PRESSAVG: 4415200 -33.2373 21.4251 -38.4562 21.425 68.7536 -11.9145 -38.4563 -11.9144 -11.8874 GPRESSAVG: 4415200 -34.4649 24.1301 -40.1166 19.3594 69.3851 -11.0527 -38.1175 -11.7332 -11.5727 TIMING: 4415200 CPU: 13791.3, 0.0031397/step Wall: 13791.3, 0.0031397/step, 0.510027 hours remaining, 235.105469 MB of memory in use. ENERGY: 4415200 3958.8271 20426.3058 14465.7753 224.1326 -202944.3202 2318.6443 0.0000 0.0000 52050.6292 -109500.0060 299.1357 -161550.6352 -109133.8543 299.0906 -69.4582 -35.8013 762342.2761 7.8763 7.7825 PRESSURE: 4415400 107.907 94.8466 -282.017 94.8466 15.6595 38.4449 -282.016 38.4441 13.5923 GPRESSURE: 4415400 59.3804 123.72 -123.852 122.08 56.3208 103.859 -233.664 -48.5705 94.176 PRESSAVG: 4415400 48.6204 -1.3422 0.874402 -1.34223 -8.52934 1.60857 0.874367 1.60855 10.2405 GPRESSAVG: 4415400 47.4794 -3.01117 2.0551 -2.75439 -7.89533 1.50647 -0.106277 1.56631 10.6098 TIMING: 4415400 CPU: 13792, 0.00312588/step Wall: 13792, 0.00312588/step, 0.507608 hours remaining, 235.074219 MB of memory in use. ENERGY: 4415400 3955.0751 20369.4890 14535.4255 257.0438 -203302.4050 2845.8875 0.0000 0.0000 51932.6807 -109406.8034 298.4578 -161339.4840 -109043.1739 299.3649 45.7195 69.9591 760911.7519 16.7772 16.7313 PRESSURE: 4415600 -28.5246 6.666 67.6321 6.66557 111.494 -283.854 67.6321 -283.854 445.011 GPRESSURE: 4415600 26.4837 40.6678 57.0279 36.3867 156.169 -407.724 -85.3025 -147.706 423.424 PRESSAVG: 4415600 3.4718 39.0919 -7.26994 39.0919 47.2692 -26.3513 -7.26992 -26.3514 1.15525 GPRESSAVG: 4415600 3.45676 39.6541 -6.16499 39.9339 46.752 -25.5365 -7.73437 -26.4854 1.72338 TIMING: 4415600 CPU: 13792.6, 0.00311434/step Wall: 13792.6, 0.00311434/step, 0.50556 hours remaining, 235.074219 MB of memory in use. ENERGY: 4415600 3916.2861 20443.4487 14499.8461 251.7805 -203026.6276 2582.3437 0.0000 0.0000 51793.2488 -109539.6737 297.6565 -161332.9225 -109186.0895 299.0681 175.9937 202.0258 762086.4588 17.2988 17.3107 PRESSURE: 4415800 -65.2735 32.9353 -205.41 32.9352 -313.907 35.4882 -205.409 35.4881 -258.874 GPRESSURE: 4415800 -27.2057 -140.281 -159.023 -18.4235 -220.556 -1.60349 -90.1527 41.5977 -291.394 PRESSAVG: 4415800 2.94237 -36.9598 -14.538 -36.9598 4.28234 -0.166498 -14.538 -0.166556 -0.259799 GPRESSAVG: 4415800 2.53359 -39.1323 -13.3221 -34.8547 4.9236 -1.55692 -16.6321 1.66383 -0.757073 TIMING: 4415800 CPU: 13793.2, 0.00312764/step Wall: 13793.2, 0.00312764/step, 0.507547 hours remaining, 235.105469 MB of memory in use. ENERGY: 4415800 3977.0617 20520.3400 14418.8118 239.9251 -202962.0627 2531.3804 0.0000 0.0000 51820.6563 -109453.8874 297.8140 -161274.5437 -109092.7973 298.3054 -212.6849 -179.7186 761961.2116 2.3216 2.2334 PRESSURE: 4416000 -194.353 46.6184 -259.022 46.6188 106.137 66.281 -259.022 66.2812 126.265 GPRESSURE: 4416000 -69.6237 119.565 -256.476 -28.4599 122.765 112.784 -293.588 47.6411 73.6469 PRESSAVG: 4416000 58.7207 -29.3453 -20.6424 -29.3453 -77.6501 -11.6022 -20.6424 -11.6023 -14.6005 GPRESSAVG: 4416000 59.2988 -28.3998 -23.6424 -30.498 -77.0823 -11.6251 -16.958 -12.4193 -15.441 TIMING: 4416000 CPU: 13793.8, 0.00312247/step Wall: 13793.8, 0.00312247/step, 0.506534 hours remaining, 235.105469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4416000 3894.6030 20316.5078 14439.5405 251.6235 -203065.3672 2736.0468 0.0000 0.0000 52015.6792 -109411.3664 298.9348 -161427.0456 -109041.2438 298.5583 12.6829 42.2627 762991.4512 -11.1766 -11.0748 PRESSURE: 4416200 65.8783 224.243 -2.48539 224.243 -208.966 33.1828 -2.48521 33.1829 15.8923 GPRESSURE: 4416200 120.787 207.291 -78.6966 220.017 -149.555 -9.53112 183.214 48.0859 13.1818 PRESSAVG: 4416200 1.96475 23.261 -9.93091 23.261 22.5347 -59.2683 -9.93104 -59.2684 6.56782 GPRESSAVG: 4416200 2.48259 24.885 -7.46273 21.7364 21.2063 -57.5742 -10.2778 -58.017 7.70862 TIMING: 4416200 CPU: 13794.5, 0.00311483/step Wall: 13794.5, 0.00311483/step, 0.505122 hours remaining, 235.105469 MB of memory in use. ENERGY: 4416200 4002.6583 20263.9387 14498.8171 255.0519 -203315.3871 2634.9458 0.0000 0.0000 52168.9119 -109491.0634 299.8155 -161659.9753 -109126.0700 298.3899 -42.3984 -5.1955 762862.6934 10.3558 10.4658 LDB: ============= START OF LOAD BALANCING ============== 13806.9 LDB: ============== END OF LOAD BALANCING =============== 13806.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13806.9 LDB: ============= START OF LOAD BALANCING ============== 13807.2 LDB: Largest compute 7026 load 0.030746 is 15.7% of average load 0.195272 LDB: Average compute 0.004412 is 2.3% of average load 0.195272 LDB: TIME 13807.3 LOAD: AVG 0.195272 MAX 0.212648 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.383 MB LDB: TIME 13807.3 LOAD: AVG 0.195272 MAX 0.212648 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.383 MB LDB: TIME 13807.3 LOAD: AVG 0.195272 MAX 0.212648 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.383 MB LDB: ============== END OF LOAD BALANCING =============== 13807.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13807.3 PRESSURE: 4416400 -214.76 146.991 115.296 146.99 176.622 52.8416 115.296 52.8414 -277.953 GPRESSURE: 4416400 -193.705 127.264 67.4006 138.351 128.913 15.1446 154.705 -68.6678 -178.461 PRESSAVG: 4416400 11.0628 24.9589 1.03442 24.959 6.59997 -72.1542 1.03442 -72.1542 2.18709 GPRESSAVG: 4416400 10.942 23.1915 1.46717 27.3897 5.33836 -74.427 -1.19049 -72.6182 3.00426 TIMING: 4416400 CPU: 13795.1, 0.0031997/step Wall: 13795.1, 0.0031997/step, 0.518707 hours remaining, 234.250000 MB of memory in use. ENERGY: 4416400 3950.7053 20343.9327 14448.7245 237.7728 -203245.6748 2584.5531 0.0000 0.0000 52203.4523 -109476.5341 300.0140 -161679.9864 -109119.6561 298.3557 -105.3638 -81.0839 762997.3034 6.6166 6.4282 PRESSURE: 4416600 -291.535 262.03 -45.6051 262.03 -166.575 -25.786 -45.6062 -25.7856 13.2739 GPRESSURE: 4416600 -218.503 169.829 -49.9935 333.952 -180.365 -1.03413 -62.7072 58.3718 41.0686 PRESSAVG: 4416600 -29.884 28.7678 -28.5516 28.7678 -2.92277 -53.0235 -28.5516 -53.0234 -21.7936 GPRESSAVG: 4416600 -29.153 31.4395 -30.7551 28.6163 -2.32918 -51.7136 -27.4542 -54.0093 -23.6371 TIMING: 4416600 CPU: 13795.7, 0.0031382/step Wall: 13795.7, 0.0031382/step, 0.508563 hours remaining, 234.382812 MB of memory in use. ENERGY: 4416600 3975.0133 20412.4664 14422.1643 237.3406 -203231.9556 2456.9463 0.0000 0.0000 52217.4507 -109510.5740 300.0944 -161728.0246 -109149.5614 298.6712 -148.2787 -119.2664 763601.5837 -18.2001 -18.3731 PRESSURE: 4416800 -467.865 -40.9223 76.6775 -40.9229 -228.928 92.1716 76.6785 92.1718 -177.651 GPRESSURE: 4416800 -496.106 -104.174 38.5626 -119.975 -113.4 125.936 -37.7328 151.736 -187.538 PRESSAVG: 4416800 -25.049 26.5681 -14.0609 26.5681 -1.16172 -35.8182 -14.0609 -35.8183 26.8825 GPRESSAVG: 4416800 -26.8812 23.8533 -15.6251 23.9388 0.184694 -36.655 -14.5305 -37.0504 27.0416 TIMING: 4416800 CPU: 13796.3, 0.0031223/step Wall: 13796.3, 0.0031223/step, 0.505812 hours remaining, 234.382812 MB of memory in use. ENERGY: 4416800 3999.4702 20398.1272 14441.3039 246.8097 -203218.0526 2683.8282 0.0000 0.0000 51841.3828 -109607.1306 297.9331 -161448.5135 -109252.1634 298.5738 -291.4811 -265.6812 762745.6898 0.2239 0.1150 PRESSURE: 4417000 -142.839 278.384 -81.9989 278.384 -438.523 103.51 -81.9988 103.51 435.116 GPRESSURE: 4417000 -13.2739 269.573 -36.517 201.887 -418.441 129.545 -170.723 172.559 338.766 PRESSAVG: 4417000 -94.5791 10.2082 15.3718 10.2081 35.3386 -57.7049 15.3717 -57.7049 11.009 GPRESSAVG: 4417000 -93.1406 11.8361 18.5352 10.649 33.9851 -59.1233 14.7295 -54.6295 11.341 TIMING: 4417000 CPU: 13797, 0.0031241/step Wall: 13797, 0.0031241/step, 0.505931 hours remaining, 234.382812 MB of memory in use. ENERGY: 4417000 4032.7710 20328.9100 14385.0265 246.7495 -203276.3923 2682.8053 0.0000 0.0000 52124.4821 -109475.6478 299.5601 -161600.1300 -109109.2242 298.6345 -48.7487 -30.9831 761430.0430 -16.0772 -15.9382 PRESSURE: 4417200 -443.311 125.858 -203.379 125.858 -400.773 -40.0447 -203.379 -40.0443 -123.254 GPRESSURE: 4417200 -419.431 92.6961 -185.114 315.806 -291.956 -12.7945 -232.762 -121.536 -130.708 PRESSAVG: 4417200 -82.6361 10.3034 -18.343 10.3035 66.3366 -4.37993 -18.343 -4.37992 21.4332 GPRESSAVG: 4417200 -82.2293 8.66864 -19.8889 11.9652 66.4351 -2.0637 -16.8704 -3.69536 21.1031 TIMING: 4417200 CPU: 13797.6, 0.00311784/step Wall: 13797.6, 0.00311784/step, 0.504743 hours remaining, 234.382812 MB of memory in use. ENERGY: 4417200 4031.7020 20275.7669 14409.0166 253.9470 -203535.3571 2765.7585 0.0000 0.0000 52127.6281 -109671.5380 299.5782 -161799.1661 -109311.1857 298.7241 -322.4457 -280.6986 762014.1331 1.7112 1.7697 PRESSURE: 4417400 -280.76 -183.7 -142.722 -183.699 177.946 -17.3367 -142.721 -17.3355 -445.701 GPRESSURE: 4417400 -203.216 -218.281 -101.991 -65.6388 176.611 74.4706 17.1043 -40.1574 -428.549 PRESSAVG: 4417400 -16.5381 14.8621 -22.7927 14.8621 22.5104 -17.591 -22.7927 -17.591 -10.8167 GPRESSAVG: 4417400 -17.5243 15.3951 -22.7891 15.4055 22.3987 -17.909 -21.6281 -19.4529 -10.4323 TIMING: 4417400 CPU: 13798.2, 0.00313436/step Wall: 13798.2, 0.00313436/step, 0.507244 hours remaining, 234.382812 MB of memory in use. ENERGY: 4417400 3939.1983 20218.2519 14423.9511 238.6352 -202928.5187 2255.0749 0.0000 0.0000 51928.3312 -109925.0761 298.4328 -161853.4073 -109565.3109 297.9647 -182.8385 -151.7181 762810.7016 -1.6148 -1.8526 PRESSURE: 4417600 346.195 94.4437 19.1474 94.4431 -76.2145 66.9904 19.1466 66.9908 -42.3017 GPRESSURE: 4417600 251.282 149.056 -61.581 60.9962 102.41 75.0515 30.7388 63.9864 -49.678 PRESSAVG: 4417600 -5.10224 -38.067 -16.6313 -38.067 38.3524 -46.1781 -16.6313 -46.1781 4.38201 GPRESSAVG: 4417600 -4.56975 -38.4783 -16.8305 -39.9673 37.6455 -46.8748 -17.5878 -44.5811 4.60696 TIMING: 4417600 CPU: 13798.8, 0.0031136/step Wall: 13798.8, 0.0031136/step, 0.503711 hours remaining, 234.382812 MB of memory in use. ENERGY: 4417600 3995.3080 20370.1832 14402.3027 269.2571 -203461.5300 2721.3474 0.0000 0.0000 51665.3278 -110037.8038 296.9213 -161703.1316 -109676.6458 297.7433 75.8931 101.3378 763394.1863 12.5441 12.5609 PRESSURE: 4417800 130.409 141.588 93.6802 141.589 572.285 70.6127 93.6808 70.614 109.849 GPRESSURE: 4417800 148.565 115.797 3.64436 155.548 560.157 -26.9418 104.265 144.626 192.981 PRESSAVG: 4417800 0.816705 21.475 4.1933 21.475 46.7446 -68.6775 4.19323 -68.6774 -7.4773 GPRESSAVG: 4417800 0.0411036 24.0698 5.34569 21.3355 47.4202 -68.7133 3.34215 -70.5307 -7.55963 TIMING: 4417800 CPU: 13799.5, 0.00313697/step Wall: 13799.5, 0.00313697/step, 0.507318 hours remaining, 234.382812 MB of memory in use. ENERGY: 4417800 3947.7809 20276.4861 14457.0239 256.9010 -203440.5054 2610.5750 0.0000 0.0000 51878.7722 -110012.9664 298.1480 -161891.7386 -109652.6119 297.7768 270.8476 300.5679 761091.8299 13.3613 13.3006 PRESSURE: 4418000 -120.64 -38.0898 -303.752 -38.0902 163.081 -78.3293 -303.751 -78.3294 68.5841 GPRESSURE: 4418000 -76.5535 -5.94906 -213.59 69.7128 81.9157 -101.927 -255.052 -64.3725 178.739 PRESSAVG: 4418000 -37.8797 31.4731 -73.0599 31.4731 47.5978 -73.9864 -73.0599 -73.9865 4.5808 GPRESSAVG: 4418000 -36.1122 27.4361 -75.9601 32.2842 48.1386 -74.1775 -69.9982 -72.5233 3.1581 TIMING: 4418000 CPU: 13800.1, 0.00313915/step Wall: 13800.1, 0.00313915/step, 0.507496 hours remaining, 234.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4418000 3905.1410 20433.6358 14405.9814 252.2752 -202998.8563 2427.2921 0.0000 0.0000 51743.3938 -109831.1369 297.3700 -161574.5307 -109471.4833 297.7049 37.0084 61.3670 763919.9884 4.7663 5.0615 PRESSURE: 4418200 145.95 -27.7925 -126.69 -27.7919 -112.379 191.171 -126.69 191.171 -284.406 GPRESSURE: 4418200 131.855 -105.833 -84.3781 -41.7406 -72.4755 271.886 -64.1321 55.5564 -232.567 PRESSAVG: 4418200 -31.5012 -13.7345 -29.5747 -13.7345 20.0505 -45.7513 -29.5747 -45.7513 -3.09842 GPRESSAVG: 4418200 -33.6265 -14.6353 -28.0988 -14.5378 19.8731 -45.7076 -32.6754 -46.7948 -1.21633 TIMING: 4418200 CPU: 13800.7, 0.00314012/step Wall: 13800.7, 0.00314012/step, 0.507478 hours remaining, 234.382812 MB of memory in use. ENERGY: 4418200 3974.9659 20281.4174 14395.9057 244.5999 -203412.7572 2591.6351 0.0000 0.0000 52405.1527 -109519.0807 301.1731 -161924.2333 -109158.7647 298.4758 -83.6120 -57.7293 762981.2062 -4.8497 -4.9899 PRESSURE: 4418400 270.424 298.931 34.4961 298.932 57.0562 17.8476 34.4953 17.8483 603.323 GPRESSURE: 4418400 294.477 291.638 -1.41836 292.248 157.64 35.1814 128.602 140.463 569.709 PRESSAVG: 4418400 -55.8746 0.774524 2.04205 0.774568 58.1246 -4.77406 2.04208 -4.77398 -27.349 GPRESSAVG: 4418400 -55.5183 3.25723 3.38231 1.22621 58.3056 -2.90329 3.70037 -4.73255 -27.7856 TIMING: 4418400 CPU: 13801.4, 0.00312941/step Wall: 13801.4, 0.00312941/step, 0.505573 hours remaining, 234.382812 MB of memory in use. ENERGY: 4418400 3914.5818 20441.9843 14455.4660 226.9677 -203484.3062 2899.7257 0.0000 0.0000 51962.1850 -109583.3958 298.6274 -161545.5808 -109229.3198 298.4698 310.2679 340.6087 763733.6925 -8.3663 -8.3328 PRESSURE: 4418600 -189.943 -189.006 -52.6504 -189.007 -181.26 -54.9474 -52.6506 -54.9471 204.987 GPRESSURE: 4418600 -213.111 -156.574 -100.182 -154.814 -44.5721 28.6111 -52.1362 -76.458 175.664 PRESSAVG: 4418600 -30.482 13.9835 -13.3353 13.9836 18.9659 25.4291 -13.3354 25.4291 8.25354 GPRESSAVG: 4418600 -30.232 14.2532 -13.2943 12.3804 17.9604 25.5174 -16.802 24.6892 8.70912 TIMING: 4418600 CPU: 13802, 0.00310121/step Wall: 13802, 0.00310121/step, 0.500845 hours remaining, 234.382812 MB of memory in use. ENERGY: 4418600 3970.6290 20431.1102 14452.0548 254.0793 -203246.5990 2545.3205 0.0000 0.0000 52047.3399 -109546.0653 299.1168 -161593.4052 -109184.2052 299.1698 -55.4056 -27.3396 762226.7303 -1.0875 -1.1875 PRESSURE: 4418800 225.944 184.307 -13.1778 184.308 -80.087 -51.2978 -13.178 -51.297 241.954 GPRESSURE: 4418800 224.738 177.099 58.8191 152.694 -17.691 -101.081 1.31392 -63.9975 269.416 PRESSAVG: 4418800 -17.0356 40.0362 -12.5196 40.0363 22.0997 14.8676 -12.5196 14.8676 -12.9841 GPRESSAVG: 4418800 -16.2123 40.9978 -12.649 41.5178 21.4593 13.3053 -10.8877 15.6314 -12.7713 TIMING: 4418800 CPU: 13802.6, 0.0031096/step Wall: 13802.6, 0.0031096/step, 0.502028 hours remaining, 234.382812 MB of memory in use. ENERGY: 4418800 3947.3624 20296.4063 14422.6911 266.2499 -203660.8512 2845.6459 0.0000 0.0000 52312.3268 -109570.1688 300.6397 -161882.4956 -109210.2135 298.8156 129.2704 158.8211 761283.9035 -2.6400 -2.5081 PRESSURE: 4419000 -54.9171 -127.718 -52.5138 -127.719 -147.958 -147.519 -52.5139 -147.519 -57.4896 GPRESSURE: 4419000 6.83374 -83.9693 -46.6388 -203.008 -130.652 -162.342 -59.3748 -76.712 -26.8597 PRESSAVG: 4419000 -38.4071 19.4611 31.1543 19.4611 25.462 24.2251 31.1542 24.2251 -7.98954 GPRESSAVG: 4419000 -39.2754 18.03 28.5594 19.1173 27.1708 23.8863 33.2057 26.0419 -8.43188 TIMING: 4419000 CPU: 13803.2, 0.00315472/step Wall: 13803.2, 0.00315473/step, 0.509138 hours remaining, 234.382812 MB of memory in use. ENERGY: 4419000 4046.0726 20202.6242 14461.0560 255.8420 -203028.5463 2511.2662 0.0000 0.0000 51872.2481 -109679.4372 298.1105 -161551.6853 -109321.9893 298.5822 -86.7882 -50.2260 764248.1692 -6.9782 -6.8455 PRESSURE: 4419200 -221.118 -198.071 -35.7295 -198.072 524.114 74.2559 -35.7301 74.2561 -334.776 GPRESSURE: 4419200 -123.471 -99.199 -66.0502 -249.938 463.608 36.1971 -44.1808 92.5581 -303.023 PRESSAVG: 4419200 32.1091 33.1613 32.7616 33.1613 -12.0244 -19.2221 32.7616 -19.222 12.381 GPRESSAVG: 4419200 31.6015 33.5662 33.9831 32.4913 -12.4868 -20.0704 32.3527 -20.0789 13.3282 TIMING: 4419200 CPU: 13803.9, 0.00313112/step Wall: 13803.9, 0.00313111/step, 0.505153 hours remaining, 234.382812 MB of memory in use. ENERGY: 4419200 3977.3657 20525.8325 14512.4273 254.6075 -203012.5447 2637.5211 0.0000 0.0000 51850.0063 -109254.7843 297.9827 -161104.7905 -108901.7433 298.9162 -10.5933 12.3714 762598.2755 10.8219 10.8143 PRESSURE: 4419400 363.799 -152.45 -104.626 -152.449 234.754 -36.3797 -104.625 -36.3778 495.928 GPRESSURE: 4419400 416.601 -66.1296 -25.9184 -121.471 226.972 51.4586 -208.344 -39.6259 534.519 PRESSAVG: 4419400 15.8604 13.3909 -72.711 13.3909 -5.13474 8.68356 -72.711 8.68368 -26.2449 GPRESSAVG: 4419400 15.8222 13.5289 -73.1308 12.6705 -4.53072 10.7368 -70.4333 9.65984 -27.0191 TIMING: 4419400 CPU: 13804.5, 0.0031286/step Wall: 13804.5, 0.0031286/step, 0.504573 hours remaining, 234.382812 MB of memory in use. ENERGY: 4419400 3970.9390 20349.4619 14469.0597 244.9969 -202670.0023 2321.8482 0.0000 0.0000 52261.5080 -109052.1886 300.3476 -161313.6966 -108693.7807 299.4678 364.8270 392.6974 761286.0470 -5.1731 -5.2425 PRESSURE: 4419600 -183.048 -154.93 -15.2796 -154.929 34.7266 -198.665 -15.2777 -198.665 175.463 GPRESSURE: 4419600 -188.43 -180.03 -0.175582 -177.712 46.757 -168.894 8.63925 -129.018 260.104 PRESSAVG: 4419600 -26.2541 -15.9765 -29.6481 -15.9766 -2.03199 -48.1021 -29.6481 -48.1021 16.6237 GPRESSAVG: 4419600 -25.8155 -17.0677 -27.7139 -16.1914 -3.12361 -46.2275 -32.9321 -49.8935 16.8593 TIMING: 4419600 CPU: 13805.1, 0.00310726/step Wall: 13805.1, 0.00310726/step, 0.500959 hours remaining, 234.382812 MB of memory in use. ENERGY: 4419600 3884.3977 20479.4764 14407.9427 238.1902 -202496.1109 2436.6663 0.0000 0.0000 52173.4616 -108875.9760 299.8416 -161049.4376 -108503.7289 299.5061 9.0474 39.4770 764309.6529 -3.8875 -4.0266 PRESSURE: 4419800 -296.482 -117.384 79.7343 -117.385 -289.338 77.8208 79.7339 77.8198 107.176 GPRESSURE: 4419800 -268.587 -141.392 37.7042 -124.038 -277.6 137.342 74.3821 -25.5365 138.338 PRESSAVG: 4419800 -11.5005 13.2461 -28.2337 13.2461 -0.944748 -2.17616 -28.2337 -2.17625 1.15116 GPRESSAVG: 4419800 -11.2938 14.3276 -28.5272 14.7844 -0.564738 -3.50916 -27.2943 -3.29093 1.15671 TIMING: 4419800 CPU: 13805.7, 0.0031064/step Wall: 13805.7, 0.0031064/step, 0.500648 hours remaining, 234.382812 MB of memory in use. ENERGY: 4419800 3913.3621 20524.1957 14413.6575 261.5012 -202235.0486 2262.8727 0.0000 0.0000 52045.6868 -108813.7726 299.1073 -160859.4595 -108448.0258 300.0342 -159.5480 -135.9499 763423.6738 -3.7647 -3.5673 PRESSURE: 4420000 -269.705 -66.3997 44.6963 -66.3998 179.197 -45.8191 44.696 -45.819 199.575 GPRESSURE: 4420000 -255.97 -79.708 63.6509 -70.0663 265.053 -74.1492 55.7501 -113.575 198.432 PRESSAVG: 4420000 -25.664 5.52733 -29.8494 5.52734 41.3899 2.90522 -29.8494 2.90523 -1.99469 GPRESSAVG: 4420000 -26.0968 6.97338 -30.384 4.65721 41.6174 2.07339 -29.3937 4.20961 -1.87218 TIMING: 4420000 CPU: 13806.3, 0.00312137/step Wall: 13806.3, 0.00312137/step, 0.502887 hours remaining, 234.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4420000 4026.0203 20417.1932 14462.1930 255.5158 -203001.6003 2605.5809 0.0000 0.0000 52368.2021 -108866.8949 300.9608 -161235.0970 -108501.2012 300.4824 36.3556 69.1718 762760.8379 4.5771 4.5495 PRESSURE: 4420200 99.8982 -7.59258 -164.449 -7.59258 139.821 75.3321 -164.448 75.3317 159.682 GPRESSURE: 4420200 162.162 -67.028 -74.834 -72.2082 127.175 43.1504 -236.7 -18.5709 170.315 PRESSAVG: 4420200 -46.2749 -43.5285 17.9189 -43.5286 -30.5416 -25.1509 17.9191 -25.151 -7.04732 GPRESSAVG: 4420200 -44.1797 -45.2703 19.1359 -41.9301 -32.0655 -25.3977 17.1641 -24.6497 -7.59811 TIMING: 4420200 CPU: 13807, 0.00313075/step Wall: 13807, 0.00313075/step, 0.504225 hours remaining, 234.382812 MB of memory in use. ENERGY: 4420200 3949.0269 20493.4288 14414.5361 244.1938 -203206.4210 2858.2366 0.0000 0.0000 52259.9063 -108987.0925 300.3384 -161246.9989 -108625.0441 299.8753 133.1337 153.2177 762231.4084 -27.9546 -27.9478 LDB: ============= START OF LOAD BALANCING ============== 13819.4 LDB: ============== END OF LOAD BALANCING =============== 13819.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13819.4 LDB: ============= START OF LOAD BALANCING ============== 13819.8 LDB: Largest compute 7026 load 0.031257 is 16.0% of average load 0.195327 LDB: Average compute 0.004375 is 2.2% of average load 0.195327 LDB: TIME 13819.8 LOAD: AVG 0.195327 MAX 0.216273 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.316 MB LDB: TIME 13819.8 LOAD: AVG 0.195327 MAX 0.216273 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.316 MB LDB: TIME 13819.8 LOAD: AVG 0.195327 MAX 0.216273 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.316 MB LDB: ============== END OF LOAD BALANCING =============== 13819.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13819.8 PRESSURE: 4420400 -128.617 -18.9737 -17.3623 -18.9739 167.578 -95.6537 -17.3628 -95.6537 450.451 GPRESSURE: 4420400 -43.7855 -6.11651 -73.7503 -0.832923 166.986 -74.3981 -70.3658 -56.7035 438.641 PRESSAVG: 4420400 -14.599 -33.2929 -11.6199 -33.2929 14.0172 -7.1728 -11.6199 -7.17276 6.56187 GPRESSAVG: 4420400 -15.7411 -31.5731 -12.6218 -35.3675 15.0508 -7.41768 -10.7225 -7.15335 6.68366 TIMING: 4420400 CPU: 13807.6, 0.0031789/step Wall: 13807.6, 0.0031789/step, 0.511802 hours remaining, 235.089844 MB of memory in use. ENERGY: 4420400 3915.5412 20531.0289 14492.3821 237.5346 -203137.0478 2760.7331 0.0000 0.0000 51998.7213 -109201.1066 298.8374 -161199.8279 -108855.6256 299.3854 163.1374 187.2806 761696.3827 1.9933 1.9978 PRESSURE: 4420600 -169.192 -134.818 130.879 -134.818 -98.5347 -124.299 130.879 -124.299 362.787 GPRESSURE: 4420600 -169.415 -117.497 106.662 -105.768 -99.8404 -170.099 111.933 -178.751 429.838 PRESSAVG: 4420600 -62.3943 -16.1977 9.81638 -16.1976 45.7202 8.89839 9.81631 8.89835 26.0291 GPRESSAVG: 4420600 -63.1309 -18.6429 10.5498 -15.9028 44.9678 9.08387 9.52537 8.55636 26.9698 TIMING: 4420600 CPU: 13808.2, 0.00314408/step Wall: 13808.2, 0.00314408/step, 0.506023 hours remaining, 235.148438 MB of memory in use. ENERGY: 4420600 4005.9655 20559.4728 14408.5958 235.7758 -203421.8024 2905.1092 0.0000 0.0000 51890.3679 -109416.5155 298.2147 -161306.8834 -109059.7240 298.9878 31.6866 53.5275 763306.8584 3.1183 2.9356 PRESSURE: 4420800 17.8692 127.988 45.3064 127.988 -10.19 118.923 45.3067 118.923 -18.2464 GPRESSURE: 4420800 130.25 141.075 -63.1731 34.6769 -82.5953 49.7316 128.496 203.728 13.6893 PRESSAVG: 4420800 -11.4486 -7.69968 13.2144 -7.6997 17.1767 7.59882 13.2145 7.59891 27.7132 GPRESSAVG: 4420800 -11.5072 -3.67747 12.5935 -8.69701 17.1361 8.55768 15.0487 6.81823 27.3667 TIMING: 4420800 CPU: 13808.9, 0.00313521/step Wall: 13808.9, 0.00313521/step, 0.50442 hours remaining, 235.351562 MB of memory in use. ENERGY: 4420800 4056.0663 20425.5579 14518.5530 251.8965 -203935.4648 2974.1586 0.0000 0.0000 52359.4826 -109349.7499 300.9107 -161709.2325 -108986.5476 299.3634 -3.5224 20.4479 761683.9732 11.1471 10.9985 PRESSURE: 4421000 -49.6782 41.367 -52.8765 41.3657 -9.5586 -301.769 -52.8764 -301.768 -92.175 GPRESSURE: 4421000 -65.1943 -56.9255 -130.112 130.976 124.196 -331.708 38.5676 -242.276 -119.357 PRESSAVG: 4421000 -19.8024 -6.23896 -2.73135 -6.23893 72.1301 -88.2811 -2.73131 -88.2811 18.3171 GPRESSAVG: 4421000 -19.6627 -7.25257 -3.01669 -5.44243 72.775 -88.0326 -5.40206 -85.4001 17.7526 TIMING: 4421000 CPU: 13809.5, 0.00312753/step Wall: 13809.5, 0.00312753/step, 0.503011 hours remaining, 235.351562 MB of memory in use. ENERGY: 4421000 4049.9794 20620.2158 14460.0579 253.7436 -203949.0169 2838.2414 0.0000 0.0000 52366.4267 -109360.3521 300.9506 -161726.7788 -108985.6070 299.7008 -50.4706 -20.1183 762287.2348 23.5483 23.6216 PRESSURE: 4421200 -118.237 -30.2209 -23.2498 -30.2204 -372.392 -280.151 -23.2497 -280.15 144.509 GPRESSURE: 4421200 -38.0973 -8.37649 -62.9452 59.2489 -369.421 -336.731 48.1389 -373.461 136.41 PRESSAVG: 4421200 21.3247 -55.7095 59.7675 -55.7095 24.0832 -5.2035 59.7675 -5.20343 8.55056 GPRESSAVG: 4421200 21.5667 -58.37 59.3029 -53.7941 23.4882 -6.59516 59.9004 -8.22835 8.65606 TIMING: 4421200 CPU: 13810.1, 0.00311175/step Wall: 13810.1, 0.00311175/step, 0.5003 hours remaining, 235.351562 MB of memory in use. ENERGY: 4421200 3983.0724 20442.5328 14451.9551 235.8784 -203102.9337 2588.8855 0.0000 0.0000 52147.5727 -109253.0369 299.6928 -161400.6096 -108877.9493 299.8159 -115.3731 -90.3693 765513.9252 17.9861 17.9037 PRESSURE: 4421400 47.0422 -18.0221 281.664 -18.0211 17.3764 124.412 281.665 124.413 -264.461 GPRESSURE: 4421400 50.7958 59.5002 313.055 -64.7901 50.5773 172.686 256.344 147.193 -202.594 PRESSAVG: 4421400 -18.9028 -1.34542 30.2796 -1.34538 54.7582 -57.4295 30.2796 -57.4295 -15.1057 GPRESSAVG: 4421400 -18.8061 0.452922 30.6995 -3.43726 54.9123 -57.314 30.6906 -55.9515 -15.4058 TIMING: 4421400 CPU: 13810.7, 0.00309811/step Wall: 13810.7, 0.00309811/step, 0.497935 hours remaining, 235.351562 MB of memory in use. ENERGY: 4421400 4039.6109 20543.4638 14500.5057 272.0602 -203481.0378 2739.7135 0.0000 0.0000 52002.2590 -109383.4247 298.8577 -161385.6837 -109030.5205 299.5448 -66.6808 -33.7402 764460.7573 6.9166 6.9001 PRESSURE: 4421600 43.6815 140.76 -150.638 140.761 -191.862 -131.475 -150.638 -131.475 49.6481 GPRESSURE: 4421600 149.639 185.501 -167.095 107.1 -187.542 -106.201 -161.862 -167.641 28.9687 PRESSAVG: 4421600 -23.7408 -1.57761 -13.6651 -1.57769 -13.3176 -36.8922 -13.665 -36.8922 -29.321 GPRESSAVG: 4421600 -23.2161 -1.16964 -11.8739 -1.7957 -13.4851 -35.3031 -14.0048 -38.2069 -29.6786 TIMING: 4421600 CPU: 13811.4, 0.00310136/step Wall: 13811.4, 0.00310136/step, 0.498285 hours remaining, 235.351562 MB of memory in use. ENERGY: 4421600 3940.6950 20550.8649 14481.5933 260.5054 -203425.6796 2746.9014 0.0000 0.0000 52150.0267 -109295.0930 299.7069 -161445.1197 -108925.8233 299.1876 -32.8442 -2.9780 764318.2809 -22.1265 -22.1266 PRESSURE: 4421800 -282.251 152.591 47.2493 152.591 187.116 92.4548 47.249 92.4548 -376.598 GPRESSURE: 4421800 -157.246 63.5226 28.6474 261.994 170.415 176.656 23.4006 39.0931 -397.606 PRESSAVG: 4421800 -17.4609 3.56053 -35.7621 3.56061 -10.9686 -14.9565 -35.7621 -14.9565 -7.62542 GPRESSAVG: 4421800 -18.0543 3.74764 -37.917 2.91517 -12.4788 -16.1079 -35.3846 -14.1129 -6.26204 TIMING: 4421800 CPU: 13812, 0.00309219/step Wall: 13812, 0.00309219/step, 0.496641 hours remaining, 235.351562 MB of memory in use. ENERGY: 4421800 3969.4922 20436.1441 14497.8493 244.3038 -203300.3416 2726.3550 0.0000 0.0000 51909.3418 -109516.8555 298.3237 -161426.1974 -109160.0513 299.2766 -157.2443 -128.1455 763961.5120 -12.0183 -12.2650 PRESSURE: 4422000 -118.447 7.01294 123.325 7.01267 -80.3101 134.214 123.325 134.213 56.7959 GPRESSURE: 4422000 -77.0611 38.031 126.241 66.7503 -1.1562 229.524 167.968 11.9759 39.3767 PRESSAVG: 4422000 -6.05012 11.325 -2.80572 11.325 -9.62387 44.5819 -2.80576 44.5819 6.18891 GPRESSAVG: 4422000 -4.97813 10.7894 -1.27903 13.7829 -9.99614 45.3322 -1.99661 45.1627 5.92837 TIMING: 4422000 CPU: 13812.6, 0.00311438/step Wall: 13812.6, 0.00311438/step, 0.500031 hours remaining, 235.351562 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: 4422000 4020.7023 20487.4121 14488.9350 250.0805 -203668.3379 2923.8348 0.0000 0.0000 52207.8671 -109289.5060 300.0393 -161497.3731 -108919.6986 298.9471 -47.3205 -12.9469 763487.0887 -3.1617 -3.0153 PRESSURE: 4422200 -351.675 -65.6018 -157.56 -65.6027 -40.2787 151.705 -157.559 151.705 -430.146 GPRESSURE: 4422200 -289.31 -184.195 -208.306 -124.758 -48.0713 127.558 10.2076 64.3277 -389.222 PRESSAVG: 4422200 -3.8022 -7.05964 -31.5735 -7.05966 7.38408 13.0465 -31.5736 13.0465 -13.561 GPRESSAVG: 4422200 -5.27062 -7.24204 -31.2328 -9.07897 8.38288 13.96 -33.1076 11.9041 -13.4751 TIMING: 4422200 CPU: 13813.2, 0.00312221/step Wall: 13813.2, 0.00312221/step, 0.501115 hours remaining, 235.351562 MB of memory in use. ENERGY: 4422200 3983.6486 20438.9000 14451.6036 254.8372 -202902.0687 2283.5861 0.0000 0.0000 51994.6936 -109494.7996 298.8142 -161489.4932 -109130.1395 298.7309 -274.0332 -242.2008 764033.0994 -3.3264 -3.4543 PRESSURE: 4422400 -10.4118 266.148 44.6117 266.148 11.1468 -41.7807 44.6112 -41.781 -186.287 GPRESSURE: 4422400 56.7007 226.993 -11.2514 182.941 4.27135 -81.93 44.7969 -147.316 -166.868 PRESSAVG: 4422400 37.9775 13.2288 -36.4293 13.2287 -50.984 -31.1378 -36.4293 -31.1377 15.0541 GPRESSAVG: 4422400 38.8745 12.4053 -37.5787 13.8099 -51.8896 -33.2371 -35.5752 -30.8017 14.9285 TIMING: 4422400 CPU: 13813.8, 0.00312257/step Wall: 13813.8, 0.00312256/step, 0.500998 hours remaining, 235.351562 MB of memory in use. ENERGY: 4422400 3926.4004 20216.8428 14548.1866 243.9832 -203206.0841 2638.9741 0.0000 0.0000 51975.7149 -109655.9823 298.7051 -161631.6971 -109299.8623 298.4601 -61.8506 -35.2986 763472.4689 0.6826 0.6378 PRESSURE: 4422600 67.3525 148.627 153.703 148.627 277.876 -112.246 153.703 -112.245 87.7594 GPRESSURE: 4422600 98.4845 157.418 244.683 125.025 302.928 -41.2959 151.459 -192.499 111.633 PRESSAVG: 4422600 38.0324 64.0707 13.7425 64.0707 -43.098 -80.5272 13.7425 -80.5272 9.92723 GPRESSAVG: 4422600 38.2678 64.0422 14.0428 63.4263 -42.6621 -80.3238 13.8772 -78.7499 9.5581 TIMING: 4422600 CPU: 13814.5, 0.00312547/step Wall: 13814.5, 0.00312547/step, 0.50129 hours remaining, 235.351562 MB of memory in use. ENERGY: 4422600 3922.9823 20316.8766 14511.7169 253.4947 -203625.0881 2848.3216 0.0000 0.0000 52010.3938 -109761.3022 298.9044 -161771.6960 -109391.1691 298.0999 144.3294 171.0150 762076.8754 1.6206 1.7213 PRESSURE: 4422800 220.741 -147.725 36.0313 -147.725 -64.1322 -38.3228 36.0316 -38.3229 332.881 GPRESSURE: 4422800 196.302 -111.878 24.4489 -186.263 -14.5112 -7.90782 196.508 148.832 383.7 PRESSAVG: 4422800 48.1877 -18.5507 32.1504 -18.5507 -5.94931 -2.02419 32.1504 -2.02416 7.33768 GPRESSAVG: 4422800 47.8544 -19.842 32.9212 -17.8827 -5.56146 -1.04769 31.9296 -3.60172 7.32222 TIMING: 4422800 CPU: 13815.1, 0.00311279/step Wall: 13815.1, 0.00311279/step, 0.499084 hours remaining, 235.417969 MB of memory in use. ENERGY: 4422800 4011.9534 20375.4939 14492.5522 250.3976 -203448.8496 2543.5443 0.0000 0.0000 51957.1096 -109817.7985 298.5982 -161774.9081 -109455.4126 298.1999 163.1635 188.4968 762341.4016 16.5253 16.5384 PRESSURE: 4423000 -158.802 173.776 -158.592 173.776 -175.829 -22.3373 -158.592 -22.3368 -424.286 GPRESSURE: 4423000 -202.999 156.565 -217.463 28.4427 -167.251 20.0889 -261.62 -43.4579 -306.907 PRESSAVG: 4423000 -2.39116 3.66575 -1.13 3.66582 -0.747976 -15.5732 -1.13 -15.5731 4.43252 GPRESSAVG: 4423000 -3.89073 4.23378 -3.39703 3.34828 -0.52892 -15.3884 -0.206109 -14.3136 5.14377 TIMING: 4423000 CPU: 13815.7, 0.00310847/step Wall: 13815.7, 0.00310847/step, 0.498218 hours remaining, 235.417969 MB of memory in use. ENERGY: 4423000 3929.1039 20474.6016 14451.4683 265.4262 -203079.9495 2335.0622 0.0000 0.0000 52050.4923 -109573.7949 299.1349 -161624.2872 -109205.8416 298.3317 -252.9721 -225.7188 763076.5894 0.4311 0.2414 PRESSURE: 4423200 103.742 71.1705 30.4993 71.1702 -188.053 66.228 30.4994 66.2283 53.4003 GPRESSURE: 4423200 118.527 106.021 16.7405 -73.6639 -153.69 92.9531 96.9613 -36.0029 80.4229 PRESSAVG: 4423200 -51.1334 33.3141 19.2713 33.3141 -14.4493 -46.1135 19.2713 -46.1135 -3.10555 GPRESSAVG: 4423200 -49.4568 36.9508 20.7008 31.8308 -14.7283 -46.7732 18.0628 -48.3405 -4.15191 TIMING: 4423200 CPU: 13816.3, 0.0031072/step Wall: 13816.3, 0.0031072/step, 0.497842 hours remaining, 235.417969 MB of memory in use. ENERGY: 4423200 4043.4429 20397.7931 14467.5000 266.5951 -203418.9387 2600.5291 0.0000 0.0000 52005.1770 -109637.9015 298.8745 -161643.0785 -109273.7920 298.6603 -10.3034 15.0865 762776.1416 -22.8961 -22.7790 PRESSURE: 4423400 172.801 25.2218 17.6765 25.2213 4.18179 152.463 17.676 152.462 -38.652 GPRESSURE: 4423400 218.864 50.0405 12.6428 12.1677 97.5007 198 74.1912 289.277 -93.3717 PRESSAVG: 4423400 10.0099 28.3788 -2.10016 28.3788 -19.7997 -12.1135 -2.10021 -12.1135 -15.4786 GPRESSAVG: 4423400 10.5733 26.7619 -2.73646 30.2264 -20.7684 -11.9651 0.389209 -11.5893 -15.4109 TIMING: 4423400 CPU: 13817, 0.00311866/step Wall: 13817, 0.00311866/step, 0.499506 hours remaining, 235.417969 MB of memory in use. ENERGY: 4423400 3950.0964 20510.8208 14472.2058 244.4913 -203386.4560 2623.8615 0.0000 0.0000 51873.9574 -109711.0228 298.1203 -161584.9802 -109346.5052 298.5165 46.1102 74.3311 761146.8727 -8.4228 -8.5353 PRESSURE: 4423600 -101.457 23.1787 370.165 23.1781 -230.097 -161.038 370.165 -161.038 -366.243 GPRESSURE: 4423600 -13.9664 -35.9623 375.692 21.2215 -298.587 -222.986 198.813 -149.442 -322.835 PRESSAVG: 4423600 6.05504 -5.03295 11.7547 -5.03299 -42.7035 25.5517 11.7547 25.5516 -13.5151 GPRESSAVG: 4423600 5.17319 -5.43457 13.1707 -5.54533 -42.1505 23.3623 9.66372 27.2089 -13.4702 TIMING: 4423600 CPU: 13817.6, 0.00310691/step Wall: 13817.6, 0.00310691/step, 0.497451 hours remaining, 235.417969 MB of memory in use. ENERGY: 4423600 4014.2047 20452.5218 14474.5461 258.7182 -203537.7608 2505.1077 0.0000 0.0000 52159.0512 -109673.6112 299.7588 -161832.6623 -109304.1889 298.7772 -232.5993 -211.7961 762744.3906 -16.7212 -16.8158 PRESSURE: 4423800 148.4 92.9514 -49.8687 92.9509 -47.1156 163.439 -49.8688 163.44 32.7309 GPRESSURE: 4423800 98.2314 242.248 -21.4274 48.1869 60.7078 158.453 -75.7018 262.438 64.1302 PRESSAVG: 4423800 -9.54091 1.49918 -33.0934 1.49919 22.1355 22.3263 -33.0933 22.3264 3.38959 GPRESSAVG: 4423800 -9.216 0.161209 -33.7897 1.37507 21.7568 24.1273 -35.6674 21.9495 2.82108 TIMING: 4423800 CPU: 13818.2, 0.00311708/step Wall: 13818.2, 0.00311707/step, 0.498905 hours remaining, 235.417969 MB of memory in use. ENERGY: 4423800 4003.6816 20399.7497 14528.4485 249.8407 -203598.3907 2730.4853 0.0000 0.0000 52174.5468 -109511.6380 299.8478 -161686.1848 -109147.0636 298.5423 44.6717 74.3565 762848.3829 5.3280 5.1206 PRESSURE: 4424000 99.5802 -93.8395 -203.641 -93.8391 -379.18 22.9262 -203.641 22.9265 -336.646 GPRESSURE: 4424000 149.422 -67.7545 -168.687 -90.4368 -335.483 -3.00998 -163.684 154.016 -355.263 PRESSAVG: 4424000 16.8621 10.8211 -14.7223 10.8211 -47.094 71.7055 -14.7223 71.7056 -4.95619 GPRESSAVG: 4424000 16.1302 11.1523 -16.8203 12.1147 -46.1035 71.9709 -11.2339 72.7919 -5.61712 TIMING: 4424000 CPU: 13818.8, 0.00312362/step Wall: 13818.8, 0.00312362/step, 0.499779 hours remaining, 235.417969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4424000 4053.1540 20511.7409 14485.1394 251.7954 -203458.9503 2661.9783 0.0000 0.0000 52025.8602 -109469.2820 298.9933 -161495.1421 -109105.7641 299.1685 -205.4155 -180.4413 763175.7979 -11.7294 -11.8635 PRESSURE: 4424200 -213.513 389.353 -162.664 389.353 -23.308 -95.6326 -162.663 -95.6325 127.215 GPRESSURE: 4424200 -179.422 326.829 -121.528 359.965 -0.777193 -211.095 -49.5151 102.348 164.851 PRESSAVG: 4424200 -32.7097 -28.4208 -42.2201 -28.4208 6.93611 2.50739 -42.22 2.50743 7.02717 GPRESSAVG: 4424200 -32.2735 -29.4993 -39.7416 -28.3937 6.18328 1.19915 -41.9393 3.45188 7.18956 TIMING: 4424200 CPU: 13819.4, 0.00312711/step Wall: 13819.4, 0.00312711/step, 0.500163 hours remaining, 235.417969 MB of memory in use. ENERGY: 4424200 3983.6043 20551.8160 14584.7339 254.6439 -203711.4525 2683.4939 0.0000 0.0000 52306.5076 -109346.6528 300.6062 -161653.1604 -108989.9189 298.8825 -36.5353 -5.1159 761651.2574 -6.2488 -6.3002 LDB: ============= START OF LOAD BALANCING ============== 13831.9 LDB: ============== END OF LOAD BALANCING =============== 13831.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13831.9 LDB: ============= START OF LOAD BALANCING ============== 13832.2 LDB: Largest compute 7026 load 0.031885 is 16.3% of average load 0.195349 LDB: Average compute 0.004395 is 2.2% of average load 0.195349 LDB: TIME 13832.2 LOAD: AVG 0.195349 MAX 0.215039 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.035 MB LDB: TIME 13832.2 LOAD: AVG 0.195349 MAX 0.215039 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.035 MB LDB: TIME 13832.2 LOAD: AVG 0.195349 MAX 0.215039 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.035 MB LDB: ============== END OF LOAD BALANCING =============== 13832.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13832.3 PRESSURE: 4424400 -127.716 -104.919 -40.361 -104.919 177.33 -29.1804 -40.3601 -29.1801 253.167 GPRESSURE: 4424400 -56.9646 -244.739 -38.0358 -152.452 214.575 -71.3778 -148.899 -118.775 235.904 PRESSAVG: 4424400 -57.6957 -9.28058 -5.15521 -9.28052 48.9167 -48.7376 -5.15522 -48.7375 -12.8572 GPRESSAVG: 4424400 -57.534 -7.86694 -4.50374 -12.0073 50.255 -46.5057 -6.25404 -52.1854 -13.4189 TIMING: 4424400 CPU: 13820.1, 0.00319327/step Wall: 13820.1, 0.00319327/step, 0.510568 hours remaining, 234.453125 MB of memory in use. ENERGY: 4424400 3979.8785 20499.2697 14544.7957 243.2849 -202884.0293 2311.7895 0.0000 0.0000 51998.5782 -109306.4327 298.8365 -161305.0109 -108954.9417 299.5631 100.9268 131.1717 761965.4825 -7.2121 -6.8993 PRESSURE: 4424600 0.858821 150.04 -79.623 150.039 529.109 84.8788 -79.6244 84.879 -87.8565 GPRESSURE: 4424600 -28.2524 121.29 -60.1307 222.309 570.246 100.331 3.81465 27.6632 -21.6032 PRESSAVG: 4424600 9.36124 13.2526 -34.7431 13.2527 40.1534 -79.8849 -34.7431 -79.8849 -20.5766 GPRESSAVG: 4424600 9.52987 13.4904 -36.2066 14.7857 38.9045 -81.653 -32.374 -79.248 -19.8339 TIMING: 4424600 CPU: 13820.7, 0.00313639/step Wall: 13820.7, 0.00313639/step, 0.501299 hours remaining, 234.511719 MB of memory in use. ENERGY: 4424600 3931.9744 20674.5376 14463.1671 260.6715 -203489.2787 2941.8593 0.0000 0.0000 51832.5036 -109384.5651 297.8821 -161217.0688 -109017.5343 299.0469 147.3704 173.4635 761464.5157 9.6460 9.5335 PRESSURE: 4424800 141.578 -265.821 117.893 -265.821 29.5624 5.86408 117.893 5.86288 -608.373 GPRESSURE: 4424800 173.397 -243.767 6.59537 -224.834 24.2362 69.657 172.493 -28.4826 -545.202 PRESSAVG: 4424800 -4.00186 0.79258 -30.814 0.792484 -4.85028 -28.0376 -30.814 -28.0375 18.8718 GPRESSAVG: 4424800 -3.14327 1.56209 -30.6431 0.0713138 -3.63805 -28.1387 -32.6735 -27.3775 17.8506 TIMING: 4424800 CPU: 13821.3, 0.00312899/step Wall: 13821.3, 0.00312899/step, 0.499943 hours remaining, 234.578125 MB of memory in use. ENERGY: 4424800 4022.9662 20402.3175 14488.3316 264.2033 -203393.2349 2879.3621 0.0000 0.0000 51987.9301 -109348.1241 298.7753 -161336.0542 -108984.9250 299.0392 -145.7443 -115.8564 764192.9708 3.3399 3.6898 PRESSURE: 4425000 54.4605 92.8558 -118.166 92.8549 -361.592 -211.654 -118.165 -211.655 -177.143 GPRESSURE: 4425000 55.2344 160.34 -124.246 120.445 -237.529 -166.934 -11.1636 -197.841 -215.976 PRESSAVG: 4425000 -11.9612 -21.0056 -20.5657 -21.0056 -14.3609 -28.1297 -20.5657 -28.1297 -7.46833 GPRESSAVG: 4425000 -11.783 -21.2302 -20.9464 -18.4836 -15.8108 -26.0407 -18.6488 -28.4375 -6.625 TIMING: 4425000 CPU: 13822, 0.00313871/step Wall: 13822, 0.00313871/step, 0.501322 hours remaining, 234.566406 MB of memory in use. ENERGY: 4425000 4038.1835 20637.1220 14519.7609 238.0586 -203096.2221 2569.6245 0.0000 0.0000 52003.3010 -109090.1715 298.8637 -161093.4725 -108733.3320 299.5756 -161.4250 -132.7570 763185.4416 -11.2635 -11.4063 PRESSURE: 4425200 94.0483 -86.1826 99.6152 -86.182 -73.4366 -25.1703 99.6157 -25.1706 110.633 GPRESSURE: 4425200 135.097 33.6109 178.08 -104.8 35.3732 -102.148 -4.13901 -29.4848 57.3208 PRESSAVG: 4425200 -14.069 -3.07671 -2.13344 -3.07674 30.3814 -30.335 -2.13339 -30.335 -24.3972 GPRESSAVG: 4425200 -15.2907 -2.20138 -1.32139 -3.66344 31.4258 -32.0054 -4.65418 -32.2967 -24.0426 TIMING: 4425200 CPU: 13822.6, 0.00312942/step Wall: 13822.6, 0.00312942/step, 0.499665 hours remaining, 234.589844 MB of memory in use. ENERGY: 4425200 3922.1492 20563.6667 14526.5303 259.5180 -203185.6399 2704.1637 0.0000 0.0000 52204.4946 -109005.1174 300.0199 -161209.6120 -108634.6869 299.5560 43.7483 75.9303 763031.7357 -2.6950 -2.6358 PRESSURE: 4425400 137.287 -89.138 -54.5744 -89.1383 95.895 -92.1497 -54.5754 -92.1497 178.156 GPRESSURE: 4425400 172.748 -10.1603 -147.877 -4.2007 156.195 -64.5967 -1.7849 -8.08069 168.151 PRESSAVG: 4425400 0.649852 -4.13428 -16.4384 -4.13431 -9.46981 -73.4564 -16.4384 -73.4564 -23.7276 GPRESSAVG: 4425400 0.289583 -3.06099 -17.0223 -6.25199 -9.91757 -71.8079 -15.0341 -73.3413 -22.7482 TIMING: 4425400 CPU: 13823.2, 0.00311584/step Wall: 13823.2, 0.00311584/step, 0.497322 hours remaining, 234.589844 MB of memory in use. ENERGY: 4425400 3932.9645 20456.2746 14507.2756 246.6785 -203002.3223 2795.9803 0.0000 0.0000 52091.9285 -108971.2203 299.3730 -161063.1488 -108601.8941 299.8909 137.1127 165.6983 764072.6076 -10.8492 -10.7921 PRESSURE: 4425600 245.025 -261.45 -97.823 -261.449 52.0777 403.338 -97.8234 403.338 274.961 GPRESSURE: 4425600 305.468 -145.304 -101.756 -151.191 104.597 341.971 -67.3635 379.929 251.375 PRESSAVG: 4425600 -8.29266 -30.3871 29.4376 -30.3871 4.76758 47.6035 29.4376 47.6036 31.7488 GPRESSAVG: 4425600 -7.27092 -32.75 27.8518 -27.5956 5.15013 48.0354 28.8805 48.253 30.3013 TIMING: 4425600 CPU: 13823.8, 0.00312253/step Wall: 13823.8, 0.00312253/step, 0.498217 hours remaining, 234.589844 MB of memory in use. ENERGY: 4425600 3966.3808 20580.5549 14496.8208 272.8148 -202948.8225 2618.5017 0.0000 0.0000 52127.5883 -108886.1612 299.5780 -161013.7495 -108535.2030 299.8130 190.6878 220.4799 764286.8435 9.4079 9.3935 PRESSURE: 4425800 -115.185 -38.7526 -58.7987 -38.7515 -76.9288 -129.069 -58.7987 -129.069 -250.088 GPRESSURE: 4425800 -73.4546 -37.8145 42.0874 -227.767 -58.243 -134.269 -104.505 -144.531 -234.01 PRESSAVG: 4425800 2.39496 -21.0873 79.014 -21.0873 22.091 -4.74982 79.014 -4.74986 6.27437 GPRESSAVG: 4425800 1.37455 -18.5053 80.5597 -24.8087 22.3044 -4.96002 78.884 -4.84962 6.93195 TIMING: 4425800 CPU: 13824.5, 0.00312071/step Wall: 13824.5, 0.00312071/step, 0.497754 hours remaining, 234.589844 MB of memory in use. ENERGY: 4425800 4051.4725 20561.4303 14428.3862 279.8328 -202837.5352 2418.9509 0.0000 0.0000 52223.6270 -108873.8356 300.1299 -161097.4625 -108520.8358 300.5303 -147.4006 -121.9025 764483.7789 10.2534 10.2036 PRESSURE: 4426000 19.1539 185.337 91.3597 185.337 -204.131 -132.882 91.3597 -132.884 -101.225 GPRESSURE: 4426000 38.4099 106.748 166.524 292.803 -108.229 -105.332 -52.2542 -232.014 -116.996 PRESSAVG: 4426000 -38.3066 -17.929 8.10753 -17.929 18.5091 -14.5365 8.10749 -14.5366 -2.01347 GPRESSAVG: 4426000 -38.5392 -20.8236 8.70442 -16.2821 18.1336 -15.8786 8.14874 -13.1791 -1.65444 TIMING: 4426000 CPU: 13825.1, 0.00310721/step Wall: 13825.1, 0.00310721/step, 0.495428 hours remaining, 234.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4426000 3913.9486 20602.9233 14487.6230 266.3084 -203077.9323 2554.5904 0.0000 0.0000 52247.1655 -109005.3730 300.2652 -161252.5385 -108645.5924 299.8943 -95.4006 -62.2718 762962.8946 -7.2703 -7.3533 PRESSURE: 4426200 -130.578 -119.703 -93.7963 -119.702 -97.4381 170.512 -93.7964 170.512 -9.91088 GPRESSURE: 4426200 -149.238 -16.6186 -86.8592 -92.6279 -53.1124 221.288 -19.3526 163.5 42.5267 PRESSAVG: 4426200 18.0208 -57.8886 25.5298 -57.8886 14.9124 -16.3283 25.5298 -16.3283 17.337 GPRESSAVG: 4426200 18.5285 -57.9245 24.0938 -55.494 14.9692 -17.4634 26.4524 -17.0886 16.3635 TIMING: 4426200 CPU: 13825.7, 0.00310705/step Wall: 13825.7, 0.00310705/step, 0.49523 hours remaining, 234.589844 MB of memory in use. ENERGY: 4426200 4005.5762 20570.6569 14441.7356 247.4431 -203438.6129 2581.2538 0.0000 0.0000 52229.1878 -109362.7595 300.1619 -161591.9473 -108997.9732 299.8783 -79.3088 -53.2746 761889.8212 16.7567 16.6204 PRESSURE: 4426400 54.4687 -24.3728 20.5736 -24.3722 -138.564 -159.413 20.5733 -159.413 -374.743 GPRESSURE: 4426400 84.4518 -170.428 124.324 -32.8591 -166.3 -179.854 99.6014 -89.9895 -286.048 PRESSAVG: 4426400 -36.3534 -67.8872 -1.87682 -67.8872 -8.83223 16.2959 -1.87679 16.2959 -6.23994 GPRESSAVG: 4426400 -36.5875 -67.4773 -1.94003 -70.7891 -9.20334 19.2519 -2.6883 16.1809 -5.65815 TIMING: 4426400 CPU: 13826.3, 0.0030998/step Wall: 13826.3, 0.0030998/step, 0.493902 hours remaining, 234.589844 MB of memory in use. ENERGY: 4426400 3925.8081 20609.2353 14415.1189 247.9367 -203505.7542 2753.9163 0.0000 0.0000 52127.1447 -109426.5941 299.5754 -161553.7388 -109062.8849 299.8248 -152.9459 -122.6321 763150.7074 -17.1418 -17.1497 PRESSURE: 4426600 47.8947 -99.9403 186.29 -99.9403 279.77 69.6426 186.29 69.6429 134.579 GPRESSURE: 4426600 143.928 -28.5226 208.079 -142.805 196.747 19.5631 248.539 36.696 190.35 PRESSAVG: 4426600 9.55291 18.2962 -2.8517 18.2962 15.7619 27.1155 -2.85173 27.1155 -3.82716 GPRESSAVG: 4426600 9.78828 19.424 -1.35326 17.3323 15.5831 25.4594 -4.30374 26.4872 -3.95939 TIMING: 4426600 CPU: 13827, 0.00311306/step Wall: 13827, 0.00311306/step, 0.495842 hours remaining, 234.589844 MB of memory in use. ENERGY: 4426600 4029.2137 20659.4402 14464.2747 243.9232 -203687.6042 2969.8612 0.0000 0.0000 52008.8908 -109312.0003 298.8958 -161320.8911 -108945.3809 299.2385 154.0814 177.0083 762298.0696 7.1626 7.1373 PRESSURE: 4426800 -26.5381 -153.752 -238.982 -153.751 -231.665 -81.9259 -238.983 -81.9246 -144.622 GPRESSURE: 4426800 5.46326 -110.851 -204.682 -242.186 -198.536 -146.309 -90.5416 -64.0348 -137.45 PRESSAVG: 4426800 17.4536 -42.0238 -24.7651 -42.0238 -20.5963 -18.2576 -24.7651 -18.2575 -12.7492 GPRESSAVG: 4426800 17.3624 -42.4526 -24.4493 -40.4409 -20.1 -19.5129 -23.445 -17.6857 -13.4663 TIMING: 4426800 CPU: 13827.6, 0.00312118/step Wall: 13827.6, 0.00312118/step, 0.496962 hours remaining, 234.589844 MB of memory in use. ENERGY: 4426800 4007.8608 20618.3566 14517.3368 262.1006 -203104.4474 2393.0168 0.0000 0.0000 52236.6763 -109069.0996 300.2049 -161305.7758 -108701.0009 299.5505 -134.2750 -110.1743 763546.4393 -5.2973 -5.4013 PRESSURE: 4427000 -178.425 -203.364 166.545 -203.363 196.433 -39.1554 166.546 -39.1546 46.536 GPRESSURE: 4427000 -154.31 -117.497 188.555 -145.855 277.999 -18.5821 20.2845 -36.0746 44.4137 PRESSAVG: 4427000 6.91233 -6.42506 17.6829 -6.42498 -44.1051 -2.09218 17.6829 -2.09221 -28.1414 GPRESSAVG: 4427000 7.14354 -6.10708 16.105 -6.59971 -45.3578 -1.33319 16.8989 -2.30509 -27.0396 TIMING: 4427000 CPU: 13828.2, 0.00310514/step Wall: 13828.2, 0.00310514/step, 0.494235 hours remaining, 234.589844 MB of memory in use. ENERGY: 4427000 4048.0382 20567.3157 14417.7168 238.5519 -203038.9113 2539.3175 0.0000 0.0000 52119.1134 -109108.8578 299.5293 -161227.9712 -108753.8349 300.0416 21.5149 56.0342 761755.4375 -21.7780 -21.7513 PRESSURE: 4427200 -185.022 160.049 -58.1201 160.048 -213.159 -122.45 -58.1207 -122.449 -102.297 GPRESSURE: 4427200 -227.694 147.34 -56.4586 75.9056 -139.893 -188.87 -15.7151 -100.533 -59.8147 PRESSAVG: 4427200 20.0398 -22.8994 18.8436 -22.8993 11.2089 -29.3928 18.8437 -29.3928 -13.0717 GPRESSAVG: 4427200 17.6068 -22.5132 17.8733 -23.9434 13.5993 -29.0859 19.7916 -29.073 -13.5143 TIMING: 4427200 CPU: 13828.8, 0.00310286/step Wall: 13828.8, 0.00310286/step, 0.4937 hours remaining, 234.589844 MB of memory in use. ENERGY: 4427200 4019.4908 20379.8988 14414.4772 252.8658 -203426.1947 2764.4165 0.0000 0.0000 52433.3823 -109161.6632 301.3354 -161595.0455 -108789.5710 299.7239 -166.8259 -142.4674 763815.2011 6.0590 5.8973 PRESSURE: 4427400 52.6094 195.096 -114.616 195.096 110.779 -145.488 -114.616 -145.488 -470.983 GPRESSURE: 4427400 153.958 132.548 -136.007 46.8573 71.2021 -209.26 -80.1147 -27.9813 -460.263 PRESSAVG: 4427400 22.2912 -7.89848 -25.4915 -7.89854 -10.267 -8.79833 -25.4915 -8.79824 -10.44 GPRESSAVG: 4427400 22.9739 -10.013 -24.2338 -6.65702 -12.0776 -9.68901 -25.7194 -8.73613 -9.6369 TIMING: 4427400 CPU: 13829.4, 0.00310329/step Wall: 13829.4, 0.00310328/step, 0.493595 hours remaining, 234.589844 MB of memory in use. ENERGY: 4427400 4030.7239 20504.1595 14416.0506 238.8405 -203515.1536 2678.1623 0.0000 0.0000 52343.6277 -109303.5891 300.8195 -161647.2168 -108941.6286 299.5808 -102.5317 -78.3675 762415.0863 0.5281 0.4198 PRESSURE: 4427600 102.712 -112.007 -40.2258 -112.006 -150.808 -49.9337 -40.2255 -49.9337 399.604 GPRESSURE: 4427600 91.4219 -21.8364 -6.88921 -74.0923 -17.2322 -22.5792 -127.462 12.7274 359.814 PRESSAVG: 4427600 18.0471 44.6899 -71.4955 44.6899 -16.3188 -28.8688 -71.4956 -28.8688 14.7212 GPRESSAVG: 4427600 18.1164 44.9731 -71.3113 45.7754 -15.3765 -29.2118 -72.5083 -28.566 13.3417 TIMING: 4427600 CPU: 13830.1, 0.00310719/step Wall: 13830.1, 0.00310719/step, 0.494043 hours remaining, 234.589844 MB of memory in use. ENERGY: 4427600 4077.9540 20423.9004 14442.5119 242.0758 -203330.2521 2767.1185 0.0000 0.0000 52375.2692 -109001.4223 301.0014 -161376.6915 -108641.0112 299.7842 117.1693 144.6679 762293.7147 5.4832 5.3605 PRESSURE: 4427800 146.656 -242.821 128.851 -242.822 -277.042 -10.8638 128.851 -10.8641 0.928317 GPRESSURE: 4427800 105.573 -196.9 202.758 -38.5705 -139.873 60.6173 76.6697 61.1358 -0.411611 PRESSAVG: 4427800 1.82589 39.0409 -78.3934 39.0409 44.1934 -17.7125 -78.3933 -17.7125 -0.153821 GPRESSAVG: 4427800 1.85787 41.7383 -78.8929 37.1809 43.739 -15.6606 -79.4801 -19.368 0.159067 TIMING: 4427800 CPU: 13830.7, 0.00311135/step Wall: 13830.7, 0.00311135/step, 0.494533 hours remaining, 234.589844 MB of memory in use. ENERGY: 4427800 4062.2164 20652.8645 14416.5621 245.6107 -203225.4405 2693.5248 0.0000 0.0000 52209.2795 -108945.3825 300.0474 -161154.6620 -108587.8528 300.4521 -43.1525 -11.5708 762092.5019 15.2885 15.2520 PRESSURE: 4428000 -118.022 197.397 -14.5688 197.398 33.5215 334.022 -14.5694 334.022 -248.983 GPRESSURE: 4428000 -136.41 29.5834 -52.604 272.97 100.111 341.404 -8.02379 360.263 -239.371 PRESSAVG: 4428000 -27.2904 19.5342 -3.86449 19.5342 -4.66648 36.4177 -3.86449 36.4177 5.03508 GPRESSAVG: 4428000 -27.4225 18.9408 -3.26269 20.698 -5.41652 34.2367 -2.39114 37.5892 5.6627 TIMING: 4428000 CPU: 13831.3, 0.00311701/step Wall: 13831.3, 0.00311701/step, 0.495259 hours remaining, 234.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4428000 3994.1344 20749.1215 14453.4182 246.5618 -203304.1472 2533.6444 0.0000 0.0000 52238.3389 -109088.9280 300.2145 -161327.2670 -108732.7123 300.1006 -111.1611 -91.8898 762668.2014 -8.9739 -9.0588 PRESSURE: 4428200 206.475 -220.401 146.776 -220.401 -186.674 -63.6079 146.776 -63.6075 291.697 GPRESSURE: 4428200 198.806 -212.23 68.0449 -163.344 -58.4336 -33.5705 168.902 -98.7706 245.372 PRESSAVG: 4428200 6.01182 14.5519 34.5267 14.5519 -18.1843 1.09635 34.5268 1.09645 0.445791 GPRESSAVG: 4428200 4.31648 11.9605 33.7097 14.2417 -16.5854 2.16315 32.3874 1.04665 0.633773 TIMING: 4428200 CPU: 13831.9, 0.00309119/step Wall: 13831.9, 0.00309119/step, 0.490985 hours remaining, 234.589844 MB of memory in use. ENERGY: 4428200 4070.7251 20492.1073 14421.5838 231.4331 -203554.6054 2778.9425 0.0000 0.0000 52261.8672 -109297.9464 300.3497 -161559.8136 -108931.0416 299.7203 103.8327 128.5814 761803.0101 -3.9089 -3.8784 LDB: ============= START OF LOAD BALANCING ============== 13844.4 LDB: ============== END OF LOAD BALANCING =============== 13844.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13844.4 LDB: ============= START OF LOAD BALANCING ============== 13844.7 LDB: Largest compute 7037 load 0.029772 is 15.2% of average load 0.195306 LDB: Average compute 0.004384 is 2.2% of average load 0.195306 LDB: TIME 13844.7 LOAD: AVG 0.195306 MAX 0.216494 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.75 MB LDB: TIME 13844.7 LOAD: AVG 0.195306 MAX 0.216494 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.75 MB LDB: TIME 13844.7 LOAD: AVG 0.195306 MAX 0.216494 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.75 MB LDB: ============== END OF LOAD BALANCING =============== 13844.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13844.7 PRESSURE: 4428400 28.5205 -106.605 -216.122 -106.605 88.5682 125.749 -216.122 125.749 37.7302 GPRESSURE: 4428400 79.8957 -91.0818 -291.963 74.9735 79.5101 126.266 -123.206 28.2535 106.503 PRESSAVG: 4428400 17.4648 -24.9175 -3.36982 -24.9174 11.6499 47.4211 -3.36987 47.4211 -7.70433 GPRESSAVG: 4428400 19.1317 -24.1999 -4.18898 -25.1685 10.3621 48.3265 -0.716969 45.9909 -7.82381 TIMING: 4428400 CPU: 13832.6, 0.00317174/step Wall: 13832.6, 0.00317174/step, 0.503603 hours remaining, 235.601562 MB of memory in use. ENERGY: 4428400 4013.0108 20394.8586 14430.6355 242.4678 -203047.1236 2652.2436 0.0000 0.0000 52091.3352 -109222.5722 299.3696 -161313.9074 -108858.8563 299.5428 51.6063 88.6364 762446.6338 7.1368 7.2233 PRESSURE: 4428600 -212.44 -14.6649 169.628 -14.6657 -48.5583 -11.8634 169.629 -11.8638 -19.3607 GPRESSURE: 4428600 -271.38 49.1635 144.543 61.0487 71.761 -146.017 51.0843 44.6463 15.4873 PRESSAVG: 4428600 -13.9671 -18.1252 -9.81131 -18.1252 54.1436 46.5074 -9.81124 46.5073 18.4052 GPRESSAVG: 4428600 -14.2137 -15.7291 -10.0123 -17.5498 54.6905 45.9019 -10.5905 45.9383 17.787 TIMING: 4428600 CPU: 13833.2, 0.00309798/step Wall: 13833.2, 0.00309798/step, 0.491719 hours remaining, 235.746094 MB of memory in use. ENERGY: 4428600 3983.1416 20746.9018 14452.2860 229.2553 -203490.4963 2616.1693 0.0000 0.0000 52156.7774 -109305.9650 299.7457 -161462.7424 -108941.5124 299.1862 -93.4530 -61.3771 762015.5546 19.5272 19.4213 PRESSURE: 4428800 114.454 -12.3962 44.7905 -12.3959 67.6824 -14.398 44.7893 -14.3971 -302.626 GPRESSURE: 4428800 123.166 97.3268 -21.3292 -76.9539 87.193 9.75277 52.4545 -111.751 -257.161 PRESSAVG: 4428800 -6.60779 0.341312 -15.3153 0.341315 39.9522 30.5347 -15.3153 30.5347 -27.3341 GPRESSAVG: 4428800 -7.66601 1.58144 -15.0911 -1.43224 38.8647 32.1078 -15.5515 30.1373 -25.498 TIMING: 4428800 CPU: 13833.8, 0.0030839/step Wall: 13833.8, 0.0030839/step, 0.489311 hours remaining, 235.746094 MB of memory in use. ENERGY: 4428800 3996.9917 20634.2796 14422.6654 244.2234 -202947.0628 2458.4423 0.0000 0.0000 51851.4523 -109339.0080 297.9910 -161190.4604 -108989.7554 299.2493 -40.1630 -15.6005 762682.1391 2.0034 1.9002 PRESSURE: 4429000 180.469 44.3505 53.9707 44.3503 273.42 -30.1249 53.9699 -30.1261 321.92 GPRESSURE: 4429000 260.882 -6.06907 35.1231 13.2747 307.513 -32.9204 64.5848 -36.5477 292.836 PRESSAVG: 4429000 -56.4351 -23.4545 15.0183 -23.4545 47.3494 -41.0534 15.0183 -41.0535 30.2717 GPRESSAVG: 4429000 -55.5923 -24.3305 15.9141 -23.675 47.0678 -42.2614 14.8074 -39.0118 29.7679 TIMING: 4429000 CPU: 13834.4, 0.00307651/step Wall: 13834.4, 0.00307651/step, 0.487968 hours remaining, 235.746094 MB of memory in use. ENERGY: 4429000 3909.6408 20651.0353 14480.4610 255.8497 -203546.2059 2766.7816 0.0000 0.0000 52243.0619 -109239.3757 300.2416 -161482.4377 -108873.1120 299.3730 258.6028 287.0769 760358.4659 7.0620 7.0812 PRESSURE: 4429200 -123.778 13.689 0.423399 13.688 56.327 -136.75 0.424622 -136.75 -378.843 GPRESSURE: 4429200 -31.4628 31.1631 39.9227 -68.1063 46.2875 -138.377 16.7064 -115.395 -378.629 PRESSAVG: 4429200 14.7411 -37.014 51.7648 -37.014 57.0356 -33.5117 51.7648 -33.5117 8.1011 GPRESSAVG: 4429200 15.969 -36.8285 52.0359 -38.8051 56.4782 -35.2874 51.0224 -31.7667 7.59956 TIMING: 4429200 CPU: 13835, 0.00309159/step Wall: 13835, 0.00309159/step, 0.490189 hours remaining, 235.746094 MB of memory in use. ENERGY: 4429200 3938.1121 20639.1115 14498.4327 236.8275 -203586.2453 2765.4786 0.0000 0.0000 52224.5152 -109283.7677 300.1350 -161508.2829 -108927.7952 299.9183 -148.7644 -121.2682 760301.9613 26.6259 26.6822 PRESSURE: 4429400 -124.48 -59.7667 22.7058 -59.7672 -166.219 -229.389 22.7061 -229.389 57.9802 GPRESSURE: 4429400 -49.0452 20.2593 -42.3396 -53.5198 -145.945 -252.448 45.9397 -262.659 39.1811 PRESSAVG: 4429400 8.92239 -43.4704 -7.31192 -43.4704 -19.228 1.55479 -7.31196 1.55486 -18.3992 GPRESSAVG: 4429400 8.05365 -47.0958 -8.05129 -40.4305 -18.3651 5.10589 -5.83001 -1.08852 -18.5568 TIMING: 4429400 CPU: 13835.7, 0.00310779/step Wall: 13835.7, 0.00310779/step, 0.492584 hours remaining, 235.746094 MB of memory in use. ENERGY: 4429400 3918.6950 20627.9252 14526.9375 251.9217 -203649.2352 2810.7496 0.0000 0.0000 52358.1930 -109154.8130 300.9033 -161513.0061 -108800.1175 299.9492 -77.5730 -51.9363 762537.5950 -9.5683 -9.6227 PRESSURE: 4429600 -122.676 85.388 -42.9272 85.3886 -467.236 74.1815 -42.9271 74.1809 154.319 GPRESSURE: 4429600 -52.6921 91.4886 -46.0663 6.89854 -342.616 58.9702 11.4091 118.976 66.6023 PRESSAVG: 4429600 -7.68197 -59.5177 2.465 -59.5178 -15.5179 2.03876 2.46501 2.03876 11.5718 GPRESSAVG: 4429600 -8.00356 -58.5656 2.5962 -60.0241 -16.1242 0.958183 2.89636 1.90001 12.0834 TIMING: 4429600 CPU: 13836.3, 0.0030949/step Wall: 13836.3, 0.0030949/step, 0.49037 hours remaining, 235.746094 MB of memory in use. ENERGY: 4429600 4026.3722 20507.3909 14478.9081 240.9414 -202945.8952 2565.0772 0.0000 0.0000 52201.1791 -108926.0262 300.0009 -161127.2053 -108557.2093 299.8652 -145.1975 -109.5687 764093.3637 -3.8760 -4.0148 PRESSURE: 4429800 -502.526 -22.6115 -122.887 -22.612 -73.4914 -152.238 -122.887 -152.237 76.4429 GPRESSURE: 4429800 -386.422 -99.0884 -126.303 -67.8496 -137.024 -207.039 -215.604 -45.4363 110.088 PRESSAVG: 4429800 32.2387 -4.76228 -27.115 -4.76227 -25.4262 -0.310656 -27.115 -0.310506 1.10075 GPRESSAVG: 4429800 32.5759 -5.47617 -26.0138 -3.07796 -25.5206 0.69454 -29.368 -0.359533 1.0517 TIMING: 4429800 CPU: 13836.9, 0.00308712/step Wall: 13836.9, 0.00308712/step, 0.488966 hours remaining, 235.746094 MB of memory in use. ENERGY: 4429800 3986.5234 20623.8337 14483.4677 239.4418 -203071.3117 2524.1868 0.0000 0.0000 52150.1782 -109063.6800 299.7078 -161213.8583 -108694.0925 300.1208 -166.5248 -137.7860 763555.1752 2.6378 2.7023 PRESSURE: 4430000 -81.9412 -202.803 -19.1486 -202.803 -217.367 -213.09 -19.1485 -213.091 -292.371 GPRESSURE: 4430000 -126.521 -98.3776 -6.29048 -173.157 -144.734 -222.113 -70.6599 -144.157 -245.198 PRESSAVG: 4430000 -38.2061 -3.13966 10.9943 -3.1397 25.3583 -22.4613 10.9943 -22.4612 22.9029 GPRESSAVG: 4430000 -38.6636 -1.69368 10.5593 -4.41777 26.2813 -21.5495 12.8396 -22.0377 22.2924 TIMING: 4430000 CPU: 13837.5, 0.00310296/step Wall: 13837.5, 0.00310296/step, 0.491302 hours remaining, 235.746094 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: 4430000 4088.0731 20609.2918 14474.3584 252.8298 -203428.0566 2774.4181 0.0000 0.0000 52189.7225 -109039.3629 299.9351 -161229.0853 -108676.3672 300.3063 -197.2264 -172.1508 762875.8376 3.3517 3.3034 PRESSURE: 4430200 79.8769 -38.6655 75.1799 -38.6652 67.5296 -97.0335 75.1808 -97.0334 -506.033 GPRESSURE: 4430200 61.1825 -109.057 85.1804 21.1661 120.711 -27.8706 136.108 -335.16 -443.42 PRESSAVG: 4430200 -21.6314 31.919 75.7204 31.919 -0.0727162 -19.5583 75.7204 -19.5584 10.1447 GPRESSAVG: 4430200 -21.5189 31.8917 76.2407 33.0832 0.375497 -21.9835 72.6759 -20.7111 10.2413 TIMING: 4430200 CPU: 13838.1, 0.00309632/step Wall: 13838.1, 0.00309632/step, 0.490079 hours remaining, 235.949219 MB of memory in use. ENERGY: 4430200 4021.9604 20645.2646 14487.4017 275.2845 -203169.2766 2426.4117 0.0000 0.0000 52210.3086 -109102.6450 300.0534 -161312.9536 -108747.5754 299.9928 -119.5420 -87.1755 762110.4862 -3.8531 -3.6341 PRESSURE: 4430400 -376.31 89.1787 10.0996 89.1783 -139.051 26.1456 10.0996 26.1461 327.821 GPRESSURE: 4430400 -261.253 146.797 52.8803 107.408 -161.042 -19.4125 -137.82 41.1856 335.024 PRESSAVG: 4430400 19.4632 -1.45737 8.85155 -1.4574 17.0123 -33.5775 8.85152 -33.5774 -4.27242 GPRESSAVG: 4430400 20.0332 0.211624 8.52 -4.06397 16.3416 -33.2191 10.6581 -31.0384 -4.09535 TIMING: 4430400 CPU: 13838.8, 0.00312464/step Wall: 13838.8, 0.00312464/step, 0.494387 hours remaining, 235.949219 MB of memory in use. ENERGY: 4430400 3920.9058 20647.4124 14452.1633 238.9490 -203100.9045 2303.3441 0.0000 0.0000 52341.5540 -109196.5759 300.8076 -161538.1299 -108816.6210 299.6174 -62.5132 -29.0904 762561.4816 10.7344 10.7598 PRESSURE: 4430600 -117.667 149.132 -113.194 149.133 98.3644 195.423 -113.195 195.423 -191.085 GPRESSURE: 4430600 -154.204 -23.5778 -143.972 151.282 118.05 108.225 -52.932 176.901 -101.549 PRESSAVG: 4430600 -21.6582 55.5044 24.7676 55.5044 37.909 -15.8772 24.7676 -15.8771 14.8925 GPRESSAVG: 4430600 -22.7331 52.2957 25.8877 58.5517 38.0237 -14.0898 23.7866 -17.5089 15.5524 TIMING: 4430600 CPU: 13839.4, 0.00312067/step Wall: 13839.4, 0.00312067/step, 0.493586 hours remaining, 235.949219 MB of memory in use. ENERGY: 4430600 3991.6971 20549.7354 14629.8057 257.6993 -203296.8319 2707.4398 0.0000 0.0000 51729.3571 -109431.0974 297.2893 -161160.4545 -109064.5146 299.6623 -70.1292 -45.9014 761644.7442 10.3811 10.2810 PRESSURE: 4430800 -110.654 -174.821 107.395 -174.821 139.907 37.5599 107.395 37.5589 -267.552 GPRESSURE: 4430800 -46.1188 -139.736 108.147 -136.612 86.5421 90.3985 214.793 44.1004 -183.012 PRESSAVG: 4430800 -42.6273 7.8748 15.1334 7.87481 13.7426 37.1841 15.1334 37.1841 8.87998 GPRESSAVG: 4430800 -41.9849 8.20917 13.6937 7.41041 12.7222 34.9897 18.1176 38.2055 8.939 TIMING: 4430800 CPU: 13840, 0.00310876/step Wall: 13840, 0.00310876/step, 0.491529 hours remaining, 235.949219 MB of memory in use. ENERGY: 4430800 3955.8466 20545.4619 14423.6496 225.6574 -203383.7322 2779.0590 0.0000 0.0000 52109.1271 -109344.9306 299.4719 -161454.0577 -108980.6369 298.5876 -79.4331 -47.5296 761666.0941 -6.6682 -6.7746 PRESSURE: 4431000 -73.5348 -84.362 -119.588 -84.3615 190.263 158.239 -119.59 158.237 -120.372 GPRESSURE: 4431000 26.0195 -140.348 -62.5998 -100.503 199.394 217.86 -83.1817 38.3838 -125.176 PRESSAVG: 4431000 -72.366 -30.7005 26.6274 -30.7005 40.8643 33.3417 26.6274 33.3416 16.4375 GPRESSAVG: 4431000 -72.8238 -30.0547 25.4988 -30.9513 42.3705 33.7114 27.4394 33.1867 14.7539 TIMING: 4431000 CPU: 13840.6, 0.00308966/step Wall: 13840.6, 0.00308966/step, 0.488339 hours remaining, 235.949219 MB of memory in use. ENERGY: 4431000 4041.4675 20406.2928 14464.7770 247.6546 -203181.9718 2697.6451 0.0000 0.0000 51913.8349 -109410.2999 298.3495 -161324.1348 -109059.7649 299.1981 -1.2144 33.4126 761751.5097 -5.0214 -5.2331 PRESSURE: 4431200 233.557 58.3473 -4.57191 58.3473 -26.0005 111.457 -4.57149 111.457 165.529 GPRESSURE: 4431200 232.225 -2.30246 34.3692 59.1193 116.811 116.333 67.6541 53.8426 114.823 PRESSAVG: 4431200 -51.8394 -56.487 42.3422 -56.4869 30.6952 26.0298 42.3422 26.0298 9.08069 GPRESSAVG: 4431200 -52.2182 -56.9699 42.5226 -58.4661 29.028 25.3281 40.0328 25.0823 11.2324 TIMING: 4431200 CPU: 13841.2, 0.00308886/step Wall: 13841.2, 0.00308886/step, 0.488041 hours remaining, 235.949219 MB of memory in use. ENERGY: 4431200 3911.6601 20457.5592 14432.6253 256.8158 -203021.7756 2588.7810 0.0000 0.0000 52021.9372 -109352.3970 298.9708 -161374.3342 -108989.4297 299.0404 124.3618 154.6198 763044.9176 -4.0211 -3.9860 PRESSURE: 4431400 -76.3292 55.2756 -328.246 55.2761 -53.9424 -251.885 -328.246 -251.885 -282.747 GPRESSURE: 4431400 42.8404 7.42338 -305.66 123.712 -101.066 -111.577 -347.506 -192.387 -285.977 PRESSAVG: 4431400 -55.186 28.9727 -7.65515 28.9728 46.5956 -12.2041 -7.65515 -12.2043 20.5535 GPRESSAVG: 4431400 -54.675 28.787 -7.30734 30.5808 48.275 -11.3545 -6.7816 -13.1118 18.379 TIMING: 4431400 CPU: 13841.9, 0.00309734/step Wall: 13841.9, 0.00309734/step, 0.489208 hours remaining, 235.949219 MB of memory in use. ENERGY: 4431400 3932.1729 20362.1033 14434.9636 259.1048 -203284.4743 2659.5357 0.0000 0.0000 52143.3143 -109493.2797 299.6683 -161636.5940 -109126.5480 298.9273 -137.6728 -114.7340 762340.4333 3.9877 3.9930 PRESSURE: 4431600 -104.592 -126.704 3.26735 -126.704 243.666 -44.2038 3.26832 -44.204 120.018 GPRESSURE: 4431600 -58.6497 -89.8401 57.7457 -201.72 239.962 4.16474 -169.654 101.13 143.411 PRESSAVG: 4431600 -66.0014 3.47081 -40.613 3.47088 61.0931 -25.4781 -40.613 -25.4781 8.65298 GPRESSAVG: 4431600 -65.252 3.80053 -39.4178 3.73234 60.2291 -26.049 -42.5867 -23.4718 9.44062 TIMING: 4431600 CPU: 13842.5, 0.00310628/step Wall: 13842.5, 0.00310628/step, 0.490447 hours remaining, 235.949219 MB of memory in use. ENERGY: 4431600 4085.7879 20460.2937 14514.1076 243.2831 -203510.9269 2883.7634 0.0000 0.0000 51831.1268 -109492.5646 297.8742 -161323.6913 -109131.6494 298.9387 86.3642 108.2411 761658.3034 1.2483 1.4726 PRESSURE: 4431800 -151.98 194.023 296.185 194.023 -298.096 -62.4447 296.186 -62.4441 -191.386 GPRESSURE: 4431800 -125.644 89.2567 286.184 25.3304 -240.183 -81.1615 406.232 -83.2099 -201.917 PRESSAVG: 4431800 8.59836 -7.79295 13.2198 -7.79298 36.997 -69.383 13.2198 -69.383 1.24674 GPRESSAVG: 4431800 7.81579 -5.37376 11.6755 -10.2192 37.9139 -68.9089 15.4589 -69.9729 1.07191 TIMING: 4431800 CPU: 13843.1, 0.00311899/step Wall: 13843.1, 0.00311899/step, 0.49228 hours remaining, 235.949219 MB of memory in use. ENERGY: 4431800 4113.0540 20381.2101 14497.7374 247.0374 -203316.3127 2542.2671 0.0000 0.0000 52124.1360 -109410.8705 299.5581 -161535.0066 -109053.4560 299.1119 -213.8207 -189.2478 762462.1625 15.6140 15.6005 PRESSURE: 4432000 -126.789 -6.94681 230.919 -6.946 -105.081 44.4103 230.918 44.4104 -49.5777 GPRESSURE: 4432000 -56.4534 -51.3623 288.731 -12.788 -50.8786 3.84452 384.578 5.25652 -88.2024 PRESSAVG: 4432000 -29.0673 11.2841 58.8906 11.2842 -17.1679 0.548681 58.8905 0.548683 1.7728 GPRESSAVG: 4432000 -28.6068 9.63701 61.104 11.2394 -17.4866 -0.2082 59.0513 0.467747 1.37349 TIMING: 4432000 CPU: 13843.7, 0.00311149/step Wall: 13843.7, 0.00311149/step, 0.490924 hours remaining, 235.949219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4432000 4014.3037 20228.4576 14472.2525 263.0887 -202974.4915 2463.3751 0.0000 0.0000 52040.9714 -109492.0424 299.0802 -161533.0138 -109123.3728 298.3135 -93.8159 -65.1781 763374.7173 -14.8208 -14.9066 PRESSURE: 4432200 -18.5708 99.0571 94.5361 99.0585 -244.382 -228.449 94.5355 -228.448 -219.792 GPRESSURE: 4432200 73.8888 144.469 141.31 18.1507 -220.375 -172.82 -0.828768 -279.044 -239.566 PRESSAVG: 4432200 -0.268827 -0.35059 7.67643 -0.350531 32.9632 -48.9184 7.67645 -48.9184 5.1 GPRESSAVG: 4432200 -0.653026 -0.37811 6.54126 3.29901 33.5689 -47.8503 5.77186 -50.1104 4.71052 TIMING: 4432200 CPU: 13844.3, 0.00310068/step Wall: 13844.3, 0.00310068/step, 0.489046 hours remaining, 235.949219 MB of memory in use. ENERGY: 4432200 3995.1078 20597.4617 14450.9809 247.6619 -202877.9557 2429.1056 0.0000 0.0000 51911.2437 -109246.3941 298.3346 -161157.6379 -108883.5859 299.2239 -160.9150 -128.6839 763678.9622 12.5981 12.5421 LDB: ============= START OF LOAD BALANCING ============== 13856.8 LDB: ============== END OF LOAD BALANCING =============== 13856.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13856.8 LDB: ============= START OF LOAD BALANCING ============== 13857.1 LDB: Largest compute 7029 load 0.032048 is 16.4% of average load 0.195287 LDB: Average compute 0.004411 is 2.3% of average load 0.195287 LDB: TIME 13857.1 LOAD: AVG 0.195287 MAX 0.215595 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.75 MB LDB: TIME 13857.1 LOAD: AVG 0.195287 MAX 0.215595 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.75 MB LDB: TIME 13857.1 LOAD: AVG 0.195287 MAX 0.215595 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.75 MB LDB: ============== END OF LOAD BALANCING =============== 13857.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13857.1 PRESSURE: 4432400 35.9065 -21.2788 199.386 -21.2778 -66.41 8.05534 199.386 8.05465 133.386 GPRESSURE: 4432400 116.739 -6.57374 214.02 57.4769 -13.4271 57.6778 243.211 -61.3871 100.08 PRESSAVG: 4432400 29.6869 29.976 50.202 29.976 -35.8495 -47.4228 50.2019 -47.4229 3.62478 GPRESSAVG: 4432400 28.715 29.6102 51.3213 29.0337 -35.3362 -47.2401 53.3579 -46.3061 4.33778 TIMING: 4432400 CPU: 13845, 0.00317227/step Wall: 13845, 0.00317227/step, 0.500161 hours remaining, 233.750000 MB of memory in use. ENERGY: 4432400 3984.9574 20330.3755 14463.6057 241.6508 -203540.6106 2797.6970 0.0000 0.0000 52349.7212 -109372.6030 300.8546 -161722.3243 -108999.9778 299.3943 34.2941 67.7974 760635.3948 -0.8459 -0.7611 PRESSURE: 4432600 -62.4222 20.5153 221.753 20.5155 -98.5676 -130.839 221.752 -130.839 222.24 GPRESSURE: 4432600 -78.5588 31.2258 261.641 -30.1282 -21.1288 -89.935 49.1058 -32.8929 227.218 PRESSAVG: 4432600 -11.5909 35.4263 16.2461 35.4264 14.9371 8.04651 16.246 8.04644 -5.74604 GPRESSAVG: 4432600 -10.813 38.098 14.5875 35.2835 13.6558 7.1004 12.5387 9.16455 -6.21799 TIMING: 4432600 CPU: 13845.6, 0.00309409/step Wall: 13845.6, 0.00309409/step, 0.487663 hours remaining, 233.875000 MB of memory in use. ENERGY: 4432600 3981.0510 20617.5430 14550.6223 260.3297 -203017.5374 2553.3985 0.0000 0.0000 51900.6562 -109153.9368 298.2738 -161054.5929 -108788.7012 299.7992 20.4166 42.5100 762704.4686 -0.7999 -1.1251 PRESSURE: 4432800 39.0853 18.4223 -43.5453 18.4226 -69.6405 105.452 -43.5444 105.453 67.7513 GPRESSURE: 4432800 30.7845 -77.9713 -133.027 17.5256 -11.0637 86.8927 71.9621 11.2659 96.0482 PRESSAVG: 4432800 25.7999 -14.8078 7.12879 -14.8078 -8.56295 -13.4404 7.12874 -13.4405 18.2449 GPRESSAVG: 4432800 24.6167 -15.2406 6.64461 -14.1079 -7.33394 -15.5669 10.6786 -14.9304 17.896 TIMING: 4432800 CPU: 13846.2, 0.00310088/step Wall: 13846.2, 0.00310088/step, 0.488561 hours remaining, 233.875000 MB of memory in use. ENERGY: 4432800 3988.3188 20648.9669 14472.4379 240.7611 -203295.8791 2817.5582 0.0000 0.0000 52334.5415 -108793.2945 300.7673 -161127.8361 -108435.2311 300.1240 12.3987 38.5897 761845.3661 11.8273 11.7263 PRESSURE: 4433000 3.94678 96.3608 -186.73 96.3613 -226.411 240.256 -186.731 240.256 71.0129 GPRESSURE: 4433000 76.4915 62.6859 -184.243 58.3277 -138.731 263.41 -61.9254 229.759 -7.07618 PRESSAVG: 4433000 13.86 14.3115 47.6285 14.3115 36.976 15.2327 47.6285 15.2327 17.1478 GPRESSAVG: 4433000 15.0449 12.922 48.3999 12.8491 35.8932 16.8477 45.7289 14.7174 17.4547 TIMING: 4433000 CPU: 13846.8, 0.00309979/step Wall: 13846.8, 0.00309979/step, 0.488217 hours remaining, 233.875000 MB of memory in use. ENERGY: 4433000 4006.1857 20604.8541 14447.4650 232.3814 -203120.0785 2583.2979 0.0000 0.0000 52491.8617 -108754.0327 301.6715 -161245.8944 -108387.4902 300.7117 -50.4837 -23.1053 762605.5026 22.6613 22.7976 PRESSURE: 4433200 -357.906 0.493262 178.74 0.49251 -206.12 466.256 178.74 466.257 -99.0519 GPRESSURE: 4433200 -352.419 67.7419 133.881 -14.6039 -153.204 410.956 116.02 445.214 -93.9761 PRESSAVG: 4433200 -31.5534 55.9141 41.9213 55.9141 -19.82 5.05569 41.9213 5.05569 -16.0531 GPRESSAVG: 4433200 -32.2034 56.417 41.7987 56.0377 -19.3345 5.34167 42.3548 6.87164 -16.2413 TIMING: 4433200 CPU: 13847.5, 0.00310903/step Wall: 13847.5, 0.00310903/step, 0.4895 hours remaining, 233.875000 MB of memory in use. ENERGY: 4433200 3995.8212 20576.4436 14439.0211 246.1569 -202659.5511 2498.7199 0.0000 0.0000 52099.9468 -108803.4416 299.4191 -160903.3884 -108445.4688 300.6730 -221.0258 -199.8664 763182.8057 -22.4755 -22.5931 PRESSURE: 4433400 -113.567 -33.7788 86.1507 -33.7787 -69.3709 -172.208 86.1517 -172.206 -428.746 GPRESSURE: 4433400 -96.1308 -67.5229 138.557 -178.363 -66.733 -161.13 7.47565 -93.1893 -368.579 PRESSAVG: 4433400 8.03655 10.2674 19.1792 10.2674 4.89942 -28.5456 19.1792 -28.5456 -1.0849 GPRESSAVG: 4433400 8.18307 10.4413 19.2572 8.59239 4.37636 -30.621 19.1736 -27.8734 -0.396987 TIMING: 4433400 CPU: 13848.1, 0.00308343/step Wall: 13848.1, 0.00308343/step, 0.485298 hours remaining, 233.875000 MB of memory in use. ENERGY: 4433400 3945.8481 20564.3153 14509.8902 242.1031 -202838.8719 2688.2879 0.0000 0.0000 52078.1180 -108810.3093 299.2937 -160888.4273 -108448.6741 300.2730 -203.8946 -177.1475 763883.9144 3.9504 4.0541 PRESSURE: 4433600 -138.186 46.4351 -109.392 46.4354 257.079 92.5999 -109.392 92.6003 103.561 GPRESSURE: 4433600 -87.483 119.065 -13.2913 -45.1316 257.259 150.334 -108.927 154.381 133.171 PRESSAVG: 4433600 -64.8589 11.9767 61.8028 11.9767 77.4329 -37.0048 61.8029 -37.0048 25.7248 GPRESSAVG: 4433600 -66.0092 10.2995 62.6947 12.2857 77.8372 -35.6879 61.6899 -36.9318 26.6571 TIMING: 4433600 CPU: 13848.7, 0.00308949/step Wall: 13848.7, 0.00308949/step, 0.48608 hours remaining, 233.875000 MB of memory in use. ENERGY: 4433600 4087.2547 20418.3952 14368.3488 241.3449 -203260.8158 2813.2935 0.0000 0.0000 52297.9981 -109034.1807 300.5573 -161332.1788 -108670.4623 299.7017 74.1514 100.9823 759584.2832 12.7663 12.8284 PRESSURE: 4433800 -128.474 -180.353 57.5409 -180.354 -308.31 163.179 57.5392 163.18 -415.688 GPRESSURE: 4433800 -90.3711 -64.7644 155.376 -149.283 -215.493 123.225 47.9231 117.951 -457.934 PRESSAVG: 4433800 8.61993 -21.5485 65.5754 -21.5485 27.0684 -4.07304 65.5754 -4.073 4.53365 GPRESSAVG: 4433800 9.55604 -19.5401 64.2782 -20.8532 26.6768 -2.94339 69.2567 -6.16213 3.80668 TIMING: 4433800 CPU: 13849.3, 0.00310327/step Wall: 13849.3, 0.00310327/step, 0.488075 hours remaining, 233.875000 MB of memory in use. ENERGY: 4433800 4079.0779 20457.9937 14503.0274 240.1720 -203504.2688 2857.5153 0.0000 0.0000 52512.7561 -108853.7262 301.7915 -161366.4823 -108485.5520 300.4838 -284.1574 -254.5994 761669.5144 13.4073 13.3465 PRESSURE: 4434000 170.521 150.007 373.183 150.007 392.946 0.841317 373.183 0.841508 152.272 GPRESSURE: 4434000 296.461 94.5929 361.158 173.374 324.85 -26.8609 260.839 219.442 168.249 PRESSAVG: 4434000 -19.6185 -13.567 26.0469 -13.5669 9.09198 17.9601 26.0469 17.9601 -9.59107 GPRESSAVG: 4434000 -19.8157 -15.651 25.7796 -12.0089 9.21335 16.9858 24.2463 18.8995 -9.48585 TIMING: 4434000 CPU: 13849.9, 0.00309578/step Wall: 13849.9, 0.00309578/step, 0.486725 hours remaining, 233.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4434000 4088.2967 20618.2432 14496.1623 224.0063 -203447.7324 2795.5556 0.0000 0.0000 52078.2818 -109147.1867 299.2946 -161225.4684 -108788.4265 299.7270 238.5796 263.1865 761183.2517 -6.7059 -6.6961 PRESSURE: 4434200 -165.091 -34.8665 -335.873 -34.8669 -85.818 131.13 -335.874 131.13 -264.824 GPRESSURE: 4434200 -130.341 -112.769 -298.917 -36.9034 -33.4439 203.033 -242.671 122.709 -272.076 PRESSAVG: 4434200 41.189 -21.9253 -26.1637 -21.9253 -19.8399 -35.0463 -26.1637 -35.0462 -26.7651 GPRESSAVG: 4434200 42.3202 -20.3833 -25.8343 -22.5597 -20.0019 -34.7753 -25.7246 -34.229 -27.9046 TIMING: 4434200 CPU: 13850.6, 0.00312024/step Wall: 13850.6, 0.00312024/step, 0.490398 hours remaining, 233.875000 MB of memory in use. ENERGY: 4434200 3855.5578 20584.3626 14531.6779 253.4007 -203209.9940 2385.6620 0.0000 0.0000 52270.7382 -109328.5947 300.4007 -161599.3329 -108966.5173 299.8512 -171.9110 -145.2868 761535.4717 -1.8053 -1.8621 PRESSURE: 4434400 -225.773 -43.3862 -100.325 -43.3863 -16.5054 140.104 -100.326 140.103 -63.7298 GPRESSURE: 4434400 -253.216 -58.4809 -43.2406 7.92538 24.663 144.619 -90.2245 316.391 0.153307 PRESSAVG: 4434400 -2.07553 8.01273 7.77815 8.0127 -4.22522 -0.079861 7.77809 -0.0798202 25.2049 GPRESSAVG: 4434400 -3.08514 7.02637 9.2527 6.70382 -4.95721 -2.12914 8.72894 -0.742357 27.0499 TIMING: 4434400 CPU: 13851.2, 0.00312875/step Wall: 13851.2, 0.00312875/step, 0.491561 hours remaining, 233.875000 MB of memory in use. ENERGY: 4434400 3981.9115 20437.8174 14422.9952 263.5069 -203328.0817 2449.5107 0.0000 0.0000 52271.1332 -109501.2068 300.4029 -161772.3401 -109126.0321 299.9094 -102.0027 -76.1331 761065.0400 6.3014 6.3358 PRESSURE: 4434600 106.084 169.314 -53.6903 169.316 -24.0445 173.999 -53.6911 173.998 14.9727 GPRESSURE: 4434600 119.557 167.135 -43.0315 45.2058 9.67665 183.92 16.5674 192.764 51.8052 PRESSAVG: 4434600 -16.8169 -55.5629 -6.13118 -55.5629 11.6076 9.39086 -6.13125 9.39086 19.4637 GPRESSAVG: 4434600 -16.0432 -54.1503 -7.00652 -53.7071 12.3669 13.1784 -7.44773 9.65162 18.2736 TIMING: 4434600 CPU: 13851.8, 0.00311869/step Wall: 13851.8, 0.00311869/step, 0.489808 hours remaining, 233.875000 MB of memory in use. ENERGY: 4434600 3968.7550 20503.5956 14484.3066 260.6127 -203198.6547 2451.8721 0.0000 0.0000 52074.1404 -109455.3723 299.2708 -161529.5127 -109091.1549 299.6707 32.3374 60.3464 759865.9943 4.7515 4.8658 PRESSURE: 4434800 -188.909 60.7541 210.416 60.7542 -25.9372 114.959 210.417 114.961 -413.724 GPRESSURE: 4434800 -232.297 -114.641 257.428 167.751 79.4248 108.582 185.651 149.256 -396.412 PRESSAVG: 4434800 15.1878 -66.9695 -7.80349 -66.9695 -9.57019 21.6065 -7.80353 21.6065 -34.0129 GPRESSAVG: 4434800 15.0178 -68.6238 -8.12797 -67.9725 -9.2553 18.5539 -5.49532 18.3882 -34.2416 TIMING: 4434800 CPU: 13852.4, 0.00310447/step Wall: 13852.4, 0.00310447/step, 0.487401 hours remaining, 233.875000 MB of memory in use. ENERGY: 4434800 4013.3440 20473.1963 14449.9832 235.5506 -203306.8285 2624.3037 0.0000 0.0000 52039.7577 -109470.6931 299.0732 -161510.4507 -109108.1658 299.0566 -209.5236 -183.0948 761354.7380 -9.4651 -9.4930 PRESSURE: 4435000 -101.834 -80.6333 -3.9731 -80.6333 -136.871 37.4743 -3.9737 37.4746 -265.353 GPRESSURE: 4435000 -100.249 -0.108442 -71.9761 -16.2259 -112.337 76.6154 -116.474 55.9302 -217.849 PRESSAVG: 4435000 -18.6696 7.54112 -10.0699 7.54111 62.6039 -20.0315 -10.0699 -20.0315 5.37373 GPRESSAVG: 4435000 -17.9202 7.12648 -9.85373 9.87979 61.2212 -17.9747 -13.0792 -20.1331 6.09503 TIMING: 4435000 CPU: 13853, 0.0031123/step Wall: 13853, 0.0031123/step, 0.488458 hours remaining, 233.875000 MB of memory in use. ENERGY: 4435000 3954.2001 20494.8809 14443.8296 255.7434 -203465.6874 2534.7960 0.0000 0.0000 52216.6024 -109565.6350 300.0895 -161782.2374 -109194.7448 299.1328 -168.0197 -143.4784 760774.6210 16.4360 16.4654 PRESSURE: 4435200 180.245 351.05 72.8707 351.05 -281.358 73.8801 72.8702 73.8792 -573.332 GPRESSURE: 4435200 79.1634 460.349 137.209 282.074 -176.529 116.981 19.5519 -0.224937 -502.858 PRESSAVG: 4435200 17.509 17.8433 -23.5012 17.8433 -21.6419 -49.6451 -23.5013 -49.645 22.0296 GPRESSAVG: 4435200 16.1402 18.8523 -23.1256 15.5296 -20.9698 -52.8065 -24.3584 -46.7165 22.2648 TIMING: 4435200 CPU: 13853.7, 0.00312745/step Wall: 13853.7, 0.00312745/step, 0.490662 hours remaining, 233.875000 MB of memory in use. ENERGY: 4435200 4080.7589 20458.4699 14443.8428 241.8989 -203152.7259 2415.8150 0.0000 0.0000 51799.5046 -109712.4358 297.6925 -161511.9404 -109357.0544 298.9089 -224.8152 -200.0745 761763.0306 5.9656 5.8117 PRESSURE: 4435400 -156.681 32.2511 -129.808 32.2518 -26.4 314.442 -129.809 314.443 69.5186 GPRESSURE: 4435400 -147.878 -45.0328 -108.654 39.7584 16.5889 288.974 -124.006 201.346 87.9954 PRESSAVG: 4435400 25.2566 12.8768 8.00632 12.8769 0.504123 -39.9592 8.00632 -39.9592 21.9317 GPRESSAVG: 4435400 25.3558 11.5665 7.10659 14.1779 2.29225 -38.1632 8.1891 -41.5972 20.5101 TIMING: 4435400 CPU: 13854.3, 0.00309856/step Wall: 13854.3, 0.00309856/step, 0.485957 hours remaining, 233.875000 MB of memory in use. ENERGY: 4435400 4085.9208 20567.1943 14485.9887 250.8964 -203865.3884 2860.0456 0.0000 0.0000 51917.7178 -109697.6248 298.3718 -161615.3426 -109333.4875 298.6352 -37.8542 -14.4313 761679.9310 15.8975 16.0527 PRESSURE: 4435600 -184.361 -106.248 117.325 -106.247 116.253 99.4412 117.325 99.44 -94.8091 GPRESSURE: 4435600 -45.5517 -43.6132 83.9047 -177.264 26.1829 27.5477 101.807 153.542 -60.9155 PRESSAVG: 4435600 -22.056 -3.36845 30.2627 -3.36842 47.659 4.99532 30.2627 4.99531 11.7601 GPRESSAVG: 4435600 -21.8815 -2.47021 31.213 -5.14747 46.1948 4.58012 28.648 5.05217 13.0031 TIMING: 4435600 CPU: 13854.9, 0.00311998/step Wall: 13854.9, 0.00311998/step, 0.489143 hours remaining, 233.875000 MB of memory in use. ENERGY: 4435600 4051.6800 20551.7248 14400.1664 236.2356 -203362.1416 2649.6102 0.0000 0.0000 51984.6013 -109488.1233 298.7562 -161472.7246 -109120.0001 299.5470 -54.3057 -26.7614 761181.4417 12.4544 12.4388 PRESSURE: 4435800 302.045 -43.947 -174.641 -43.9457 238.034 112.073 -174.641 112.074 -193.211 GPRESSURE: 4435800 388.608 -46.9653 -171.532 -59.383 223.384 66.6337 -29.4682 168.575 -160.053 PRESSAVG: 4435800 -16.8051 -12.0079 -7.37436 -12.008 5.10029 7.13622 -7.3744 7.13621 4.39031 GPRESSAVG: 4435800 -15.9859 -12.0386 -7.47287 -10.9961 4.36267 6.22747 -3.80502 9.94916 4.75619 TIMING: 4435800 CPU: 13855.5, 0.00311363/step Wall: 13855.5, 0.00311363/step, 0.487974 hours remaining, 233.875000 MB of memory in use. ENERGY: 4435800 3918.5317 20542.7437 14512.5162 267.5772 -203680.8209 2779.9518 0.0000 0.0000 52187.3346 -109472.1657 299.9213 -161659.5003 -109105.2762 299.1568 115.6227 150.6464 761405.1871 -2.4382 -2.2890 PRESSURE: 4436000 -37.3236 18.0443 -184.957 18.0446 162.767 -86.8791 -184.957 -86.88 420.085 GPRESSURE: 4436000 4.6638 -20.7349 -151.354 -32.5173 198.626 -35.1883 -137.825 -41.706 428.863 PRESSAVG: 4436000 -9.40181 -28.1166 3.94592 -28.1166 8.1548 47.2641 3.94585 47.2641 -30.5756 GPRESSAVG: 4436000 -9.85053 -28.1113 3.5299 -28.5961 8.78416 48.3326 2.76486 47.4873 -30.9554 TIMING: 4436000 CPU: 13856.2, 0.0031139/step Wall: 13856.2, 0.0031139/step, 0.487844 hours remaining, 233.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4436000 3973.5094 20581.4828 14475.6296 244.3395 -203777.9779 2927.8468 0.0000 0.0000 52023.3839 -109551.7860 298.9791 -161575.1699 -109204.4544 298.6611 181.8426 210.7176 762016.0006 -10.6075 -10.6739 PRESSURE: 4436200 160.547 -261.357 -123.052 -261.355 -56.6928 -180.044 -123.052 -180.045 90.6566 GPRESSURE: 4436200 153.614 -142.002 -97.0831 -232.264 -15.8712 -223.863 -43.7209 -186.625 144.888 PRESSAVG: 4436200 15.5581 -14.702 -0.156809 -14.702 -26.8335 -18.1791 -0.15682 -18.1791 13.6258 GPRESSAVG: 4436200 15.8332 -13.5862 1.05777 -13.9738 -27.189 -18.642 -0.906163 -20.303 13.3007 TIMING: 4436200 CPU: 13856.8, 0.00308604/step Wall: 13856.8, 0.00308604/step, 0.483308 hours remaining, 233.875000 MB of memory in use. ENERGY: 4436200 3922.1263 20530.5170 14462.9346 239.2813 -203736.3313 3041.9732 0.0000 0.0000 52026.7959 -109512.7032 298.9987 -161539.4990 -109151.1868 298.9684 64.8368 94.2102 762749.2876 0.7835 0.6483 LDB: ============= START OF LOAD BALANCING ============== 13869.3 LDB: ============== END OF LOAD BALANCING =============== 13869.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13869.3 LDB: ============= START OF LOAD BALANCING ============== 13869.6 LDB: Largest compute 7027 load 0.030169 is 15.4% of average load 0.195440 LDB: Average compute 0.004379 is 2.2% of average load 0.195440 LDB: TIME 13869.6 LOAD: AVG 0.19544 MAX 0.220055 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.262 MB LDB: TIME 13869.6 LOAD: AVG 0.19544 MAX 0.220055 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.262 MB LDB: TIME 13869.6 LOAD: AVG 0.19544 MAX 0.213497 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.262 MB LDB: ============== END OF LOAD BALANCING =============== 13869.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13869.6 PRESSURE: 4436400 359.819 233.989 -79.0616 233.988 205.416 -95.8476 -79.0616 -95.847 30.1451 GPRESSURE: 4436400 402.661 88.2905 -137.075 310.542 236.304 -130.4 -9.09671 -130.197 23.5724 PRESSAVG: 4436400 65.446 18.5113 -14.8111 18.5113 -61.4742 -7.40644 -14.8112 -7.40645 11.2692 GPRESSAVG: 4436400 64.8299 16.9894 -14.6556 19.9714 -61.3244 -6.76655 -15.5631 -6.45052 11.995 TIMING: 4436400 CPU: 13857.4, 0.00316179/step Wall: 13857.4, 0.00316179/step, 0.494997 hours remaining, 234.261719 MB of memory in use. ENERGY: 4436400 3980.4569 20394.3022 14453.8895 248.1176 -203463.4675 2998.9950 0.0000 0.0000 51899.4548 -109488.2515 298.2669 -161387.7063 -109123.5533 298.7810 198.4600 220.8459 762029.3481 5.0803 5.1668 PRESSURE: 4436600 -378.314 -54.6243 -1.30562 -54.6247 -208.415 -121.96 -1.30547 -121.96 -210.068 GPRESSURE: 4436600 -344.536 -225.616 -53.7189 -27.1793 -141.178 -96.3592 83.1844 -182.687 -239.908 PRESSAVG: 4436600 13.8296 -24.4732 1.8453 -24.4732 -11.0222 20.6589 1.84527 20.6588 0.97963 GPRESSAVG: 4436600 14.1589 -23.42 1.43315 -25.7614 -10.5309 21.1462 3.27987 19.4389 -0.144716 TIMING: 4436600 CPU: 13858, 0.00308237/step Wall: 13858, 0.00308237/step, 0.48239 hours remaining, 234.523438 MB of memory in use. ENERGY: 4436600 4000.6067 20514.8821 14581.2919 253.1397 -203181.4500 2529.1490 0.0000 0.0000 52083.2939 -109219.0866 299.3234 -161302.3805 -108851.3718 299.1552 -265.5988 -241.8740 763407.0066 1.2624 1.1611 PRESSURE: 4436800 21.5183 -44.4251 -125.391 -44.4254 -155.1 46.6522 -125.392 46.653 -224.531 GPRESSURE: 4436800 54.387 3.67152 -158.091 -157.139 -145.443 3.47935 -150.09 46.28 -185.431 PRESSAVG: 4436800 9.58279 -13.2823 -18.233 -13.2822 9.98908 -4.17419 -18.233 -4.17422 -6.22314 GPRESSAVG: 4436800 8.94897 -14.1274 -19.5915 -14.7537 10.0595 -5.20368 -19.3834 -2.0397 -5.33822 TIMING: 4436800 CPU: 13858.6, 0.00308939/step Wall: 13858.6, 0.00308939/step, 0.483318 hours remaining, 234.523438 MB of memory in use. ENERGY: 4436800 4041.1451 20518.7908 14551.2986 258.4171 -203197.2408 2456.2956 0.0000 0.0000 52138.7700 -109232.5237 299.6422 -161371.2937 -108863.5545 299.6565 -119.3708 -92.1621 762707.2455 4.4496 4.5567 PRESSURE: 4437000 -21.1678 40.797 -95.1843 40.7963 56.1101 80.5845 -95.1845 80.5835 -2.38557 GPRESSURE: 4437000 -93.107 41.6349 -150.563 57.7649 132.138 137.775 -140.086 137.131 78.8376 PRESSAVG: 4437000 -27.1645 -33.234 12.581 -33.2341 -7.47539 10.0805 12.581 10.0805 6.75051 GPRESSAVG: 4437000 -26.1578 -35.3695 14.2151 -31.4928 -8.18088 9.47042 12.9825 8.73774 6.20098 TIMING: 4437000 CPU: 13859.3, 0.00309461/step Wall: 13859.3, 0.00309461/step, 0.483963 hours remaining, 234.589844 MB of memory in use. ENERGY: 4437000 3989.5899 20553.2681 14468.1921 243.1238 -202812.6203 2242.1741 0.0000 0.0000 52185.7067 -109130.5656 299.9120 -161316.2723 -108773.4317 299.6728 10.8523 39.2895 763095.0382 -9.2964 -9.3792 PRESSURE: 4437200 -114.709 -216.38 -30.3089 -216.381 52.3066 26.7454 -30.3096 26.7445 -30.1387 GPRESSURE: 4437200 -131.12 -13.2659 -44.5684 -190.893 98.2129 27.0672 14.4821 0.0151564 19.9045 PRESSAVG: 4437200 -55.5569 -45.7014 10.2444 -45.7014 51.7797 12.4531 10.2445 12.4531 7.52866 GPRESSAVG: 4437200 -56.6516 -43.0922 9.35268 -45.3286 52.3802 12.7171 12.0421 13.0939 8.62303 TIMING: 4437200 CPU: 13859.9, 0.00309943/step Wall: 13859.9, 0.00309943/step, 0.484544 hours remaining, 234.589844 MB of memory in use. ENERGY: 4437200 4021.8379 20497.1930 14531.1142 216.6895 -203486.9194 2787.4460 0.0000 0.0000 52302.6476 -109129.9913 300.5840 -161432.6389 -108762.4458 299.7267 -30.8469 -4.3343 762647.0030 1.2505 1.4505 PRESSURE: 4437400 -69.4998 -142.636 31.5518 -142.636 297.608 -174.152 31.5517 -174.152 243.068 GPRESSURE: 4437400 -25.9963 -107.597 -46.6788 -86.4716 268.32 -188.21 73.2506 -68.2547 293.097 PRESSAVG: 4437400 -1.16212 -62.0857 31.4983 -62.0857 -3.26818 -17.8675 31.4983 -17.8674 16.8003 GPRESSAVG: 4437400 -1.21532 -60.4233 31.1925 -64.3883 -2.51955 -19.6584 31.316 -17.4583 16.3835 TIMING: 4437400 CPU: 13860.5, 0.00308533/step Wall: 13860.5, 0.00308534/step, 0.482169 hours remaining, 234.589844 MB of memory in use. ENERGY: 4437400 4055.1725 20252.4594 14479.8903 280.2640 -203033.0860 2645.6708 0.0000 0.0000 52582.7802 -108736.8488 302.1940 -161319.6290 -108369.7483 299.8262 157.0589 178.4735 763037.5022 4.1233 4.2162 PRESSURE: 4437600 -350.291 -206.16 -125.199 -206.159 10.9177 -1.24411 -125.2 -1.24301 265.256 GPRESSURE: 4437600 -185.727 -188.017 -111.991 -218.946 -48.0753 53.4889 -64.0704 15.9175 265.18 PRESSAVG: 4437600 -30.9991 -29.65 -12.8426 -29.65 29.335 6.7542 -12.8426 6.7542 -3.57484 GPRESSAVG: 4437600 -29.6748 -31.8362 -11.7017 -27.4069 28.751 8.04867 -13.3329 7.66946 -4.07127 TIMING: 4437600 CPU: 13861.1, 0.00312036/step Wall: 13861.1, 0.00312036/step, 0.487469 hours remaining, 234.589844 MB of memory in use. ENERGY: 4437600 3969.5835 20544.1831 14469.7092 229.5032 -203272.5827 2645.3433 0.0000 0.0000 52506.8400 -108907.4204 301.7575 -161414.2604 -108546.6381 300.6736 -24.7059 10.4594 762454.1049 -1.7463 -1.6650 PRESSURE: 4437800 -157.848 78.5265 -169.897 78.5269 -251.915 88.5536 -169.897 88.5526 -131.302 GPRESSURE: 4437800 -137.157 67.6306 -132.252 38.2709 -233.32 99.9444 -28.5443 149.704 -75.1854 PRESSAVG: 4437800 -3.12694 -1.34813 -8.9613 -1.34811 -8.73522 -11.4156 -8.96127 -11.4157 30.4242 GPRESSAVG: 4437800 -2.56577 -0.411756 -11.0345 -1.19539 -8.98772 -11.844 -9.31575 -14.5881 30.0047 TIMING: 4437800 CPU: 13861.8, 0.00312904/step Wall: 13861.8, 0.00312904/step, 0.488651 hours remaining, 234.589844 MB of memory in use. ENERGY: 4437800 3987.3010 20562.3836 14496.5814 242.7438 -202866.3153 2357.8578 0.0000 0.0000 52358.2673 -108861.1803 300.9037 -161219.4476 -108497.1697 300.1845 -180.3548 -148.5540 764633.5841 6.1873 6.1504 PRESSURE: 4438000 -474.475 -112.866 56.5232 -112.865 5.43313 61.7748 56.5235 61.7741 113.354 GPRESSURE: 4438000 -411.624 -97.4067 100.935 -79.2986 -8.83554 -15.6129 92.09 86.4399 150.543 PRESSAVG: 4438000 -43.1311 8.65779 -6.47903 8.65776 39.1668 -35.6638 -6.47902 -35.6638 28.1661 GPRESSAVG: 4438000 -44.6917 8.75208 -5.48222 7.14911 39.7371 -34.4798 -6.76124 -35.1004 28.9451 TIMING: 4438000 CPU: 13862.4, 0.00309467/step Wall: 13862.4, 0.00309467/step, 0.483112 hours remaining, 234.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4438000 4023.9639 20615.6942 14529.8908 270.6836 -203045.4713 2488.3886 0.0000 0.0000 52606.2195 -108510.6308 302.3287 -161116.8503 -108149.0927 300.3863 -118.5626 -89.9721 761016.3899 8.0673 7.9968 PRESSURE: 4438200 245.131 -57.409 217.419 -57.4091 394.926 65.38 217.42 65.38 292.108 GPRESSURE: 4438200 329.721 -48.1961 161.296 4.18197 325.251 65.2034 199.171 15.2146 356.427 PRESSAVG: 4438200 -12.0214 2.54928 -17.2931 2.5492 6.8333 -4.94862 -17.2931 -4.94865 -15.6342 GPRESSAVG: 4438200 -10.9013 1.9499 -17.2247 4.25954 6.36391 -5.9331 -17.0473 -2.56387 -16.6185 TIMING: 4438200 CPU: 13863, 0.0031194/step Wall: 13863, 0.0031194/step, 0.4868 hours remaining, 234.589844 MB of memory in use. ENERGY: 4438200 3992.7521 20604.1878 14474.9895 246.8288 -203115.3123 2721.2883 0.0000 0.0000 52328.5965 -108746.6693 300.7332 -161075.2658 -108395.0135 301.3199 310.7219 337.1329 762381.6163 -6.9408 -7.0520 PRESSURE: 4438400 -301.585 -125.743 -104.287 -125.742 74.073 -181.248 -104.286 -181.247 -308.024 GPRESSURE: 4438400 -201.784 -152.75 -133.696 -111.195 -12.297 -149.126 7.399 -129.894 -237.201 PRESSAVG: 4438400 -36.2496 13.9202 -5.70097 13.9203 35.9 -18.2045 -5.70101 -18.2044 13.1946 GPRESSAVG: 4438400 -37.8259 13.0499 -7.74927 12.3676 37.1029 -15.6862 -6.56406 -20.5849 13.3194 TIMING: 4438400 CPU: 13863.6, 0.00312544/step Wall: 13863.6, 0.00312544/step, 0.487569 hours remaining, 234.589844 MB of memory in use. ENERGY: 4438400 3956.8724 20662.6668 14468.0769 235.3173 -202970.2915 2535.1041 0.0000 0.0000 52219.8246 -108892.4295 300.1080 -161112.2541 -108529.1017 300.6084 -178.5121 -150.4272 763005.5183 4.2817 4.1988 PRESSURE: 4438600 -110.796 -87.5489 22.8542 -87.5482 24.1633 0.0762062 22.8531 0.0763237 189.584 GPRESSURE: 4438600 -76.2482 -119.802 -43.7403 -16.5466 11.5564 66.8983 81.5478 -11.4772 228.864 PRESSAVG: 4438600 -39.5738 9.57467 -4.90946 9.57467 18.5836 9.59849 -4.90949 9.5985 -6.79826 GPRESSAVG: 4438600 -38.3546 11.0668 -2.79138 9.57424 17.9079 7.68914 -3.5577 10.956 -7.70728 TIMING: 4438600 CPU: 13864.2, 0.00310118/step Wall: 13864.2, 0.00310118/step, 0.483612 hours remaining, 234.589844 MB of memory in use. ENERGY: 4438600 3994.3070 20588.9229 14526.3870 240.9760 -203074.2606 2634.7556 0.0000 0.0000 52192.1878 -108896.7244 299.9492 -161088.9121 -108543.9609 299.9689 34.3171 54.7241 763790.0793 -9.2628 -9.3847 PRESSURE: 4438800 -167.188 -55.4251 -161.883 -55.4251 -249.075 0.822872 -161.883 0.823679 -68.0607 GPRESSURE: 4438800 -127.766 -5.69499 -145.241 47.0708 -236.218 21.5993 16.5825 -7.22281 -61.5936 PRESSAVG: 4438800 -64.7639 29.9785 8.2795 29.9786 57.2228 -28.3964 8.27949 -28.3963 7.15982 GPRESSAVG: 4438800 -64.843 28.5158 8.29797 31.5972 56.2429 -27.4683 7.84737 -29.1949 7.85604 TIMING: 4438800 CPU: 13864.9, 0.00310927/step Wall: 13864.9, 0.00310927/step, 0.484701 hours remaining, 234.589844 MB of memory in use. ENERGY: 4438800 4018.7495 20572.6464 14514.1290 245.9675 -203004.0627 2668.3921 0.0000 0.0000 52185.9772 -108798.2009 299.9135 -160984.1781 -108441.4218 300.2616 -161.4414 -141.8593 762177.4985 -0.1271 -0.2480 PRESSURE: 4439000 133.184 -156.85 -156.625 -156.849 234.928 306.702 -156.626 306.702 51.4903 GPRESSURE: 4439000 226.506 -53.9698 -112.505 -66.8534 275.853 297.838 -81.0956 261.138 24.3614 PRESSAVG: 4439000 -23.3866 -0.11243 -48.5512 -0.112383 15.3051 -30.2386 -48.5511 -30.2387 14.0732 GPRESSAVG: 4439000 -23.3039 -0.826446 -49.7655 -1.30407 14.5904 -32.1581 -49.64 -29.354 14.6522 TIMING: 4439000 CPU: 13865.5, 0.00312603/step Wall: 13865.5, 0.00312603/step, 0.487139 hours remaining, 234.589844 MB of memory in use. ENERGY: 4439000 3952.6802 20531.4997 14480.9764 243.1589 -202380.8766 2403.9954 0.0000 0.0000 52070.1858 -108698.3801 299.2481 -160768.5659 -108334.3395 300.2566 139.8672 175.5734 763636.7148 1.9972 1.9796 PRESSURE: 4439200 134.556 -173.344 -29.1761 -173.343 -173.281 -167.799 -29.1766 -167.799 -71.0354 GPRESSURE: 4439200 148.992 -121.573 -47.4022 -113.759 -108.844 -168.456 5.33664 -206.297 -74.455 PRESSAVG: 4439200 15.1214 -13.1874 -41.2826 -13.1874 39.9573 -13.5056 -41.2826 -13.5057 5.10646 GPRESSAVG: 4439200 14.7899 -11.2342 -39.3767 -11.5643 41.2602 -13.4501 -40.8211 -13.5818 4.32321 TIMING: 4439200 CPU: 13866.1, 0.00310172/step Wall: 13866.1, 0.00310172/step, 0.48318 hours remaining, 234.589844 MB of memory in use. ENERGY: 4439200 3984.5537 20752.2515 14493.5489 242.6355 -202894.9140 2609.1880 0.0000 0.0000 52281.9172 -108530.8192 300.4649 -160812.7365 -108166.0004 300.6921 -36.5871 -11.4356 763930.2902 20.0617 20.1244 PRESSURE: 4439400 -344.585 -16.0192 -74.2604 -16.0192 -31.3798 -146.128 -74.2596 -146.128 233.568 GPRESSURE: 4439400 -318.059 -52.1993 -175.22 -52.2731 12.9197 -146.834 -199.235 -90.6027 246.087 PRESSAVG: 4439400 -50.0573 -11.1757 4.77446 -11.1757 -6.35194 -41.2359 4.77456 -41.2359 10.1409 GPRESSAVG: 4439400 -49.7593 -12.8748 4.89101 -12.8989 -6.19062 -40.441 4.756 -43.0321 10.1183 TIMING: 4439400 CPU: 13866.7, 0.00312868/step Wall: 13866.7, 0.00312868/step, 0.487205 hours remaining, 234.589844 MB of memory in use. ENERGY: 4439400 4009.0156 20523.6297 14526.3395 268.3567 -202857.6277 2607.5386 0.0000 0.0000 52443.0320 -108479.7156 301.3908 -160922.7476 -108101.6020 300.3987 -47.4657 -19.6842 765458.2522 -15.4228 -15.2772 PRESSURE: 4439600 30.6937 190.556 15.7097 190.556 87.3084 -63.2955 15.7108 -63.2962 334.899 GPRESSURE: 4439600 19.5046 100.395 -27.4429 210.71 144.351 -38.6919 -64.3741 -37.0977 390.868 PRESSAVG: 4439600 -42.4074 -33.4544 12.1548 -33.4544 9.69303 -0.269274 12.1548 -0.269236 -20.8865 GPRESSAVG: 4439600 -41.2856 -32.3243 10.3824 -33.5141 7.99434 0.508818 11.3481 1.85376 -19.5959 TIMING: 4439600 CPU: 13867.4, 0.00312548/step Wall: 13867.4, 0.00312548/step, 0.486533 hours remaining, 234.589844 MB of memory in use. ENERGY: 4439600 3975.1479 20580.4344 14511.9073 249.4064 -202680.8710 2365.7124 0.0000 0.0000 52521.1132 -108477.1495 301.8396 -160998.2626 -108096.4905 301.1518 150.9669 184.9077 764234.6094 -17.8669 -17.6291 PRESSURE: 4439800 -117.518 -178.799 -280.077 -178.8 -156.821 -11.1846 -280.076 -11.1854 -382.651 GPRESSURE: 4439800 -113.307 -69.7069 -282.596 -143.012 -89.6032 -51.1525 -243.274 -6.54974 -356.133 PRESSAVG: 4439800 -18.1843 -25.8815 -15.9883 -25.8816 23.3841 8.69811 -15.9883 8.6981 11.0149 GPRESSAVG: 4439800 -19.1242 -25.4375 -16.7734 -26.9426 25.4081 7.02029 -16.8246 9.82248 10.1723 TIMING: 4439800 CPU: 13868, 0.00310296/step Wall: 13868, 0.00310296/step, 0.482855 hours remaining, 234.589844 MB of memory in use. ENERGY: 4439800 4024.2950 20761.6639 14502.4218 248.6456 -203001.1170 2559.3088 0.0000 0.0000 52381.2596 -108523.5222 301.0358 -160904.7818 -108166.2676 301.3243 -218.9966 -186.3477 763846.5337 5.4049 5.4854 PRESSURE: 4440000 -410.363 38.8405 132.006 38.8399 106.774 -44.9197 132.006 -44.9206 -602.753 GPRESSURE: 4440000 -297.325 -22.253 141.079 4.70258 39.4043 -44.2088 72.8126 -10.0244 -585.452 PRESSAVG: 4440000 1.83511 -29.7243 15.863 -29.7244 12.3467 -17.4287 15.863 -17.4286 15.5462 GPRESSAVG: 4440000 3.57077 -30.5788 17.2338 -30.5801 10.7026 -16.4703 19.2975 -20.8575 15.9 TIMING: 4440000 CPU: 13868.6, 0.00314492/step Wall: 13868.6, 0.00314492/step, 0.48921 hours remaining, 234.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4440000 3968.2753 20593.3016 14578.1107 265.5169 -202800.5647 2384.9940 0.0000 0.0000 52397.2597 -108613.1064 301.1278 -161010.3661 -108244.9799 301.7115 -302.1142 -281.1243 764104.8319 9.9093 10.0578 PRESSURE: 4440200 -148.314 -236.383 119.682 -236.382 -202.588 91.55 119.682 91.5502 98.4358 GPRESSURE: 4440200 -99.9499 -52.1392 72.9225 -162.828 -132.692 111.092 61.6709 208.361 63.0058 PRESSAVG: 4440200 -103.953 -16.3865 -14.1839 -16.3865 61.999 9.26691 -14.1839 9.26694 -18.0358 GPRESSAVG: 4440200 -104.969 -17.3414 -14.1318 -16.5587 64.1599 10.6266 -16.9341 11.5428 -19.0585 TIMING: 4440200 CPU: 13869.2, 0.00312668/step Wall: 13869.2, 0.00312668/step, 0.486199 hours remaining, 234.589844 MB of memory in use. ENERGY: 4440200 4020.9697 20723.8012 14443.2511 203.5892 -203334.5555 2750.1946 0.0000 0.0000 52189.8635 -109002.8861 299.9359 -161192.7497 -108638.8497 300.5633 -84.1554 -56.5453 763852.2551 -19.9967 -19.9558 LDB: ============= START OF LOAD BALANCING ============== 13881.7 LDB: ============== END OF LOAD BALANCING =============== 13881.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13881.7 LDB: ============= START OF LOAD BALANCING ============== 13882 LDB: Largest compute 7030 load 0.032039 is 16.4% of average load 0.195265 LDB: Average compute 0.004398 is 2.3% of average load 0.195265 LDB: TIME 13882 LOAD: AVG 0.195265 MAX 0.217321 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.031 MB LDB: TIME 13882 LOAD: AVG 0.195265 MAX 0.217321 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.031 MB LDB: TIME 13882 LOAD: AVG 0.195265 MAX 0.217321 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.031 MB LDB: ============== END OF LOAD BALANCING =============== 13882 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13882 PRESSURE: 4440400 -271.011 86.9994 -0.211368 86.9995 -304.854 31.8892 -0.211911 31.8885 -288.726 GPRESSURE: 4440400 -317.597 105.976 -33.6713 130.125 -203.044 58.6674 -80.4575 71.1972 -258.373 PRESSAVG: 4440400 -38.3134 6.32164 -20.5368 6.32167 -13.1124 -39.5146 -20.5368 -39.5147 17.5952 GPRESSAVG: 4440400 -38.3774 6.62169 -20.4151 9.72545 -14.6655 -41.0271 -20.2332 -38.872 19.6293 TIMING: 4440400 CPU: 13869.9, 0.00319643/step Wall: 13869.9, 0.00319643/step, 0.496867 hours remaining, 233.035156 MB of memory in use. ENERGY: 4440400 3986.0565 20649.7521 14478.7793 255.1210 -203215.6576 2453.3376 0.0000 0.0000 52274.1491 -109118.4620 300.4203 -161392.6110 -108752.5149 299.7692 -288.1968 -259.6714 764796.1749 -11.2769 -11.1379 PRESSURE: 4440600 280.289 113.542 15.6764 113.542 431.067 74.4418 15.6762 74.4423 445.928 GPRESSURE: 4440600 309.38 176.56 25.1049 151.143 425.153 64.0789 23.1791 -143.162 506.277 PRESSAVG: 4440600 -9.92642 42.7664 -17.2257 42.7664 -7.59942 9.48728 -17.2257 9.48737 -7.9138 GPRESSAVG: 4440600 -11.1519 41.6709 -17.3617 39.6871 -7.29196 9.17893 -16.5821 6.70275 -7.20309 TIMING: 4440600 CPU: 13870.5, 0.00311827/step Wall: 13870.5, 0.00311827/step, 0.484544 hours remaining, 233.035156 MB of memory in use. ENERGY: 4440600 4047.5375 20536.1332 14505.5935 260.1876 -203451.1384 2899.3588 0.0000 0.0000 52399.0747 -108803.2530 301.1382 -161202.3277 -108431.4914 300.1170 385.7613 413.6031 763208.5004 -8.4799 -8.5490 PRESSURE: 4440800 -289.745 176.498 -90.5514 176.498 -282.973 2.44278 -90.5503 2.4438 -289.297 GPRESSURE: 4440800 -261.515 113.284 -69.6615 191.992 -206.511 40.1057 -161.206 111.939 -300.542 PRESSAVG: 4440800 -3.77991 22.7027 9.26088 22.7028 19.8925 9.791 9.26088 9.79096 -9.74589 GPRESSAVG: 4440800 -2.58459 25.3311 8.89022 22.0295 19.7225 8.5669 9.20743 11.2129 -10.6338 TIMING: 4440800 CPU: 13871.1, 0.00314727/step Wall: 13871.1, 0.00314727/step, 0.488875 hours remaining, 233.035156 MB of memory in use. ENERGY: 4440800 3995.5232 20689.6419 14493.7160 253.7894 -203011.4715 2412.7390 0.0000 0.0000 52290.8818 -108875.1801 300.5164 -161166.0619 -108506.8575 301.0317 -287.3385 -256.1893 763217.2143 2.1222 2.1681 PRESSURE: 4441000 164.245 37.2653 51.3832 37.2649 141.803 101.264 51.3831 101.264 369.09 GPRESSURE: 4441000 140.267 -108.623 66.9255 30.662 217.662 64.0269 -34.7804 126.588 406.093 PRESSAVG: 4441000 -35.7743 -45.1754 8.73378 -45.1754 34.4434 12.5116 8.73379 12.5116 -10.0911 GPRESSAVG: 4441000 -35.8414 -47.4569 8.67765 -45.5825 34.9614 13.7847 7.62026 12.7677 -10.2827 TIMING: 4441000 CPU: 13871.8, 0.00314023/step Wall: 13871.8, 0.00314023/step, 0.487608 hours remaining, 233.035156 MB of memory in use. ENERGY: 4441000 4003.3031 20406.4494 14543.5855 255.6956 -203171.6292 2650.1627 0.0000 0.0000 52316.1628 -108996.2701 300.6617 -161312.4329 -108629.2702 300.4858 225.0463 254.6738 762639.9672 -3.8074 -3.7209 PRESSURE: 4441200 -251.217 -116.756 -204.569 -116.757 3.73283 -30.6766 -204.568 -30.6755 185.307 GPRESSURE: 4441200 -165.444 -131.992 -140.898 -163.75 30.1982 23.0326 -131.607 -76.6093 161.27 PRESSAVG: 4441200 -37.9504 -82.3414 -5.01467 -82.3414 27.3636 -15.2039 -5.01463 -15.2039 -1.45425 GPRESSAVG: 4441200 -37.4911 -82.3916 -3.89546 -82.6749 27.8565 -14.9972 -5.56817 -15.1926 -1.99382 TIMING: 4441200 CPU: 13872.4, 0.00313016/step Wall: 13872.4, 0.00313016/step, 0.48587 hours remaining, 233.035156 MB of memory in use. ENERGY: 4441200 4066.4564 20750.9699 14418.5941 255.0234 -203150.5101 2744.8407 0.0000 0.0000 51960.4765 -108954.1491 298.6176 -160914.6256 -108600.1604 300.1492 -20.7254 8.6748 763832.1384 -4.0137 -3.8762 PRESSURE: 4441400 -357.663 9.77001 -150.997 9.77051 52.0241 28.7507 -150.998 28.7508 235.632 GPRESSURE: 4441400 -249.2 -46.6078 -163.676 4.14571 77.0816 53.5343 -74.5019 11.5436 189.53 PRESSAVG: 4441400 -7.68531 -14.5737 20.311 -14.5737 11.9125 -19.3668 20.3111 -19.3668 1.44037 GPRESSAVG: 4441400 -7.29838 -12.9555 20.7299 -13.823 11.0543 -19.4637 22.6806 -21.1456 1.69015 TIMING: 4441400 CPU: 13873, 0.00310277/step Wall: 13873, 0.00310277/step, 0.481446 hours remaining, 233.035156 MB of memory in use. ENERGY: 4441400 4059.4714 20466.5222 14486.5756 240.4473 -203311.9596 2557.7517 0.0000 0.0000 52246.8125 -109254.3790 300.2631 -161501.1915 -108895.3277 299.6537 -23.3356 5.8037 763015.2919 1.8892 1.8153 PRESSURE: 4441600 -186.308 -168.341 58.332 -168.342 -163.175 22.3863 58.3328 22.3865 -221.017 GPRESSURE: 4441600 -181.649 -108.806 16.2601 -165.414 -172.43 -0.190546 14.3816 85.3106 -126.344 PRESSAVG: 4441600 -67.6098 -10.0149 50.8364 -10.0149 10.0594 -28.7686 50.8364 -28.7686 10.4759 GPRESSAVG: 4441600 -68.0693 -9.01327 48.4977 -10.1003 11.3989 -28.901 48.9862 -26.3999 10.1647 TIMING: 4441600 CPU: 13873.6, 0.00312753/step Wall: 13873.6, 0.00312753/step, 0.485114 hours remaining, 233.035156 MB of memory in use. ENERGY: 4441600 4021.1032 20540.6017 14495.8587 236.0380 -203680.9606 2962.3609 0.0000 0.0000 52049.7112 -109375.2869 299.1304 -161424.9981 -109013.6505 299.3390 -190.1665 -160.1411 762766.1383 -15.6915 -15.5019 PRESSURE: 4441800 -100.521 8.20369 216.926 8.2033 303.472 111.912 216.926 111.912 201.014 GPRESSURE: 4441800 10.9252 -4.30895 200.739 -65.8203 291.864 17.6638 206.652 174.471 177.865 PRESSAVG: 4441800 60.4476 -25.1385 -71.2727 -25.1385 -45.4606 -70.0209 -71.2727 -70.021 7.7734 GPRESSAVG: 4441800 61.3579 -25.16 -69.8529 -26.9427 -46.6981 -69.7957 -71.3521 -72.2431 8.78703 TIMING: 4441800 CPU: 13874.3, 0.00312763/step Wall: 13874.3, 0.00312763/step, 0.484956 hours remaining, 233.023438 MB of memory in use. ENERGY: 4441800 3986.1871 20500.5593 14484.2683 231.4199 -203381.0018 2520.1335 0.0000 0.0000 52269.9516 -109388.4822 300.3961 -161658.4338 -109017.5796 299.6309 134.6551 160.2182 761045.5354 7.5868 7.8156 PRESSURE: 4442000 -10.1732 29.1065 -55.6345 29.1069 -76.3379 15.4064 -55.6346 15.4068 -187.065 GPRESSURE: 4442000 70.8258 -30.7491 -54.1481 22.9312 -102.206 -2.62884 -91.2889 87.3256 -152.88 PRESSAVG: 4442000 -53.5688 -37.3882 -37.0077 -37.3882 32.1403 -2.4806 -37.0077 -2.48063 2.22931 GPRESSAVG: 4442000 -53.3529 -39.0619 -37.9013 -35.1365 33.0784 -3.18133 -37.8345 -1.01018 1.64446 TIMING: 4442000 CPU: 13874.9, 0.00311507/step Wall: 13874.9, 0.00311507/step, 0.482835 hours remaining, 233.035156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4442000 3955.9506 20428.2655 14472.0019 229.3803 -202976.1549 2640.4944 0.0000 0.0000 51921.0852 -109328.9770 298.3912 -161250.0622 -108958.3849 299.0927 -91.1920 -61.4199 761951.6743 -6.3997 -6.2100 PRESSURE: 4442200 174.735 11.9941 252.711 11.995 -154.417 -102.196 252.711 -102.196 256.935 GPRESSURE: 4442200 79.5557 27.7082 155.405 62.0964 -52.8235 -130.43 281.741 -32.6538 333.588 PRESSAVG: 4442200 -10.0079 -48.6861 -45.9666 -48.6861 31.4254 -8.51014 -45.9666 -8.51019 -1.43293 GPRESSAVG: 4442200 -10.2932 -49.8272 -45.2693 -49.7681 32.4654 -9.67166 -44.2954 -10.0095 -1.785 TIMING: 4442200 CPU: 13875.5, 0.00311707/step Wall: 13875.5, 0.00311707/step, 0.482972 hours remaining, 233.035156 MB of memory in use. ENERGY: 4442200 3959.7805 20608.9415 14524.9973 250.0665 -203085.1918 2402.3180 0.0000 0.0000 51976.2925 -109362.7954 298.7085 -161339.0880 -108998.2477 299.0694 92.4178 120.1069 761584.3760 6.6615 6.7957 PRESSURE: 4442400 -325.556 -55.8486 18.1779 -55.8478 198.103 124.036 18.1786 124.035 420.685 GPRESSURE: 4442400 -323.057 -130.279 15.9823 134.473 247.134 160.815 -122.231 17.3482 449.093 PRESSAVG: 4442400 15.1 -84.3369 -29.8789 -84.3369 -8.32628 -30.2694 -29.8789 -30.2694 15.2103 GPRESSAVG: 4442400 15.1617 -83.7613 -30.0382 -80.3627 -9.59258 -28.938 -31.7234 -30.1797 16.1032 TIMING: 4442400 CPU: 13876.1, 0.00309089/step Wall: 13876.1, 0.00309089/step, 0.478744 hours remaining, 233.035156 MB of memory in use. ENERGY: 4442400 3861.4757 20467.9494 14490.0902 247.7374 -203202.7625 2790.5023 0.0000 0.0000 52189.0830 -109155.9245 299.9314 -161345.0075 -108794.6796 299.4310 97.7441 124.3902 762522.2115 7.3280 7.2241 PRESSURE: 4442600 -425.751 -59.6955 -184.97 -59.6953 -288.549 197.304 -184.97 197.304 -79.6954 GPRESSURE: 4442600 -331.668 -81.7262 -108.335 30.6232 -238.848 179.116 -102.081 121.281 -124.442 PRESSAVG: 4442600 12.9992 2.37652 -36.1213 2.37654 17.856 -6.5066 -36.1213 -6.50663 -6.38724 GPRESSAVG: 4442600 11.0708 -0.120203 -35.8305 0.18099 18.5938 -5.21302 -36.5624 -5.61375 -5.90076 TIMING: 4442600 CPU: 13876.7, 0.00310653/step Wall: 13876.7, 0.00310653/step, 0.480995 hours remaining, 233.035156 MB of memory in use. ENERGY: 4442600 3994.2857 20622.2719 14476.2535 267.2197 -202973.8794 2450.3497 0.0000 0.0000 52081.8312 -109081.6677 299.3150 -161163.4989 -108719.6772 299.9269 -264.6653 -231.6529 764242.9662 8.1560 7.9213 PRESSURE: 4442800 -128.123 -36.5971 67.6883 -36.5967 -278.632 -84.7862 67.6895 -84.7872 -419.018 GPRESSURE: 4442800 8.59007 -55.8451 55.023 31.3934 -292.007 -123.036 29.005 -154.311 -457.797 PRESSAVG: 4442800 -26.5048 -22.0955 17.5164 -22.0955 45.271 -5.06902 17.5163 -5.06903 2.76569 GPRESSAVG: 4442800 -25.1423 -19.6797 16.5243 -24.1514 44.3938 -6.32203 19.7395 -5.91344 2.11134 TIMING: 4442800 CPU: 13877.4, 0.00311395/step Wall: 13877.4, 0.00311395/step, 0.48197 hours remaining, 233.035156 MB of memory in use. ENERGY: 4442800 4111.3873 20553.3635 14408.8959 243.1441 -203076.4959 2484.5782 0.0000 0.0000 52046.5815 -109228.5454 299.1124 -161275.1269 -108871.6252 299.8069 -275.2580 -247.0712 763769.8377 7.1773 7.1209 PRESSURE: 4443000 -237.37 -142.795 -279.052 -142.795 -92.5988 -56.2797 -279.053 -56.2796 83.936 GPRESSURE: 4443000 -226.819 -104.28 -304.973 19.3825 -62.4608 -35.3915 -223.997 -89.8183 149.885 PRESSAVG: 4443000 4.97861 -16.2564 50.6477 -16.2564 20.3318 -29.3697 50.6477 -29.3698 13.7435 GPRESSAVG: 4443000 5.50252 -17.1999 50.524 -12.8187 20.0096 -28.9884 51.7888 -28.9344 13.8317 TIMING: 4443000 CPU: 13878, 0.00310406/step Wall: 13878, 0.00310406/step, 0.480267 hours remaining, 233.035156 MB of memory in use. ENERGY: 4443000 4046.0073 20433.1721 14432.1498 253.7869 -203074.4310 2680.3462 0.0000 0.0000 51960.1811 -109268.7877 298.6159 -161228.9687 -108911.2687 299.0209 -82.0108 -46.4649 764972.0100 13.0180 13.1146 PRESSURE: 4443200 -12.3323 1.93759 -176.825 1.93787 0.93422 -268.874 -176.825 -268.875 -396.058 GPRESSURE: 4443200 -60.4181 3.74017 -217.055 144.236 45.3976 -250.039 -97.6457 -293.655 -315.737 PRESSAVG: 4443200 -37.1865 5.68322 4.32097 5.68321 37.5672 -19.2843 4.32096 -19.2843 6.51542 GPRESSAVG: 4443200 -37.9528 5.84378 5.51335 3.79034 37.561 -19.5131 2.36779 -18.2809 6.9812 TIMING: 4443200 CPU: 13878.6, 0.00312389/step Wall: 13878.6, 0.00312389/step, 0.483161 hours remaining, 233.035156 MB of memory in use. ENERGY: 4443200 4041.2177 20579.1392 14360.1631 255.5448 -202813.5466 2343.5464 0.0000 0.0000 51986.4429 -109247.4924 298.7668 -161233.9353 -108899.2896 299.2499 -135.8186 -110.2524 765293.2466 2.2987 2.1965 PRESSURE: 4443400 7.64597 -107.541 33.5563 -107.541 -14.1551 102.648 33.5559 102.647 209.371 GPRESSURE: 4443400 104.219 -93.2959 60.9758 -108.146 9.31945 175.483 -145.418 18.1901 206.285 PRESSAVG: 4443400 -27.8102 -33.0213 -24.0564 -33.0213 44.6196 -1.33599 -24.0564 -1.33614 4.18889 GPRESSAVG: 4443400 -28.0708 -32.3801 -23.8278 -32.6059 44.5794 -1.08775 -24.4315 -2.50972 4.46094 TIMING: 4443400 CPU: 13879.2, 0.00310495/step Wall: 13879.2, 0.00310495/step, 0.480059 hours remaining, 233.035156 MB of memory in use. ENERGY: 4443400 4051.2082 20443.0375 14391.1950 238.6245 -203399.3279 3012.1045 0.0000 0.0000 52163.3784 -109099.7797 299.7837 -161263.1582 -108735.2689 299.5552 67.6207 106.6081 762606.2040 6.9994 6.9898 PRESSURE: 4443600 -184.351 -167.036 78.663 -167.036 -181.19 50.9197 78.6622 50.9199 340.841 GPRESSURE: 4443600 -108.537 -85.039 -11.411 -97.9594 -130.764 22.1863 19.702 -0.186297 313.466 PRESSAVG: 4443600 -7.20431 -29.2946 30.1851 -29.2946 5.43065 82.8185 30.1851 82.8186 8.23242 GPRESSAVG: 4443600 -6.33837 -28.5482 28.8078 -28.472 5.58158 83.3135 29.2891 83.6173 7.47907 TIMING: 4443600 CPU: 13879.8, 0.00310596/step Wall: 13879.8, 0.00310596/step, 0.480044 hours remaining, 233.035156 MB of memory in use. ENERGY: 4443600 4015.2937 20631.3237 14496.8040 251.1112 -203263.2182 2523.5699 0.0000 0.0000 52492.0148 -108853.1009 301.6723 -161345.1157 -108491.1111 299.7019 -8.2333 24.7218 763534.1439 2.1529 2.2408 PRESSURE: 4443800 102.699 178.5 13.0645 178.5 -296.358 63.8067 13.0644 63.8071 -133.906 GPRESSURE: 4443800 108.758 133.898 14.2447 105.107 -284.433 67.4077 129.482 -49.6223 -59.0262 PRESSAVG: 4443800 25.8173 14.5837 0.271307 14.5838 -67.2674 -21.8287 0.271271 -21.8286 -10.1178 GPRESSAVG: 4443800 25.6639 12.7479 -0.267847 12.4967 -67.739 -22.3692 1.14029 -21.459 -9.39144 TIMING: 4443800 CPU: 13880.5, 0.00308485/step Wall: 13880.5, 0.00308485/step, 0.476609 hours remaining, 233.035156 MB of memory in use. ENERGY: 4443800 4025.6599 20640.9796 14444.5447 250.9168 -203606.1442 3020.6195 0.0000 0.0000 52253.7021 -108969.7216 300.3027 -161223.4237 -108611.0212 300.2431 -109.1883 -78.2339 763948.8637 -17.1893 -17.1555 PRESSURE: 4444000 144.74 119.097 46.023 119.097 -338.015 117.175 46.0222 117.175 -158.781 GPRESSURE: 4444000 96.3869 170.688 125.388 74.6644 -229.372 39.8786 -130.087 151.897 -131.868 PRESSAVG: 4444000 37.524 -12.2851 8.61775 -12.2851 1.01276 50.8847 8.61778 50.8847 10.9076 GPRESSAVG: 4444000 37.8042 -10.0702 8.55298 -9.86237 2.82912 50.0456 7.54356 47.4341 8.57821 TIMING: 4444000 CPU: 13881.1, 0.00309466/step Wall: 13881.1, 0.00309466/step, 0.477953 hours remaining, 233.035156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4444000 3986.5386 20676.0163 14451.9881 263.8778 -203621.8117 2788.3775 0.0000 0.0000 52248.0113 -109207.0022 300.2700 -161455.0135 -108837.3076 299.8821 -117.3520 -88.2843 763268.2106 16.4814 16.4039 PRESSURE: 4444200 -85.1309 -22.0689 68.2336 -22.0681 -540.75 85.8675 68.233 85.8669 -221.748 GPRESSURE: 4444200 -76.7046 -51.446 104.981 -102.095 -486.169 64.3434 109.42 93.6507 -192.872 PRESSAVG: 4444200 12.5164 -71.2903 -1.64265 -71.2903 10.8178 9.53228 -1.6427 9.53232 -0.408428 GPRESSAVG: 4444200 10.4898 -74.8463 -0.76199 -72.8984 10.5129 10.1256 -1.68682 11.5372 1.98112 TIMING: 4444200 CPU: 13881.7, 0.00309903/step Wall: 13881.7, 0.00309903/step, 0.478455 hours remaining, 233.035156 MB of memory in use. ENERGY: 4444200 4067.2378 20760.0315 14517.3870 223.7832 -203340.9061 2576.5016 0.0000 0.0000 51834.4018 -109361.5630 297.8930 -161195.9649 -108997.7197 299.5148 -282.5431 -251.9152 764728.8052 7.6419 7.6613 LDB: ============= START OF LOAD BALANCING ============== 13894.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13894.2 LDB: =============== DONE WITH MIGRATION ================ 13894.2 LDB: ============= START OF LOAD BALANCING ============== 13894.5 LDB: Largest compute 7031 load 0.029376 is 15.0% of average load 0.195332 LDB: Average compute 0.004402 is 2.3% of average load 0.195332 LDB: TIME 13894.5 LOAD: AVG 0.195332 MAX 0.215491 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.184 MB LDB: TIME 13894.5 LOAD: AVG 0.195332 MAX 0.215491 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.391 MB LDB: TIME 13894.5 LOAD: AVG 0.195332 MAX 0.215491 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.391 MB LDB: ============== END OF LOAD BALANCING =============== 13894.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13894.5 PRESSURE: 4444400 29.0079 -258.919 72.0768 -258.92 -13.8717 33.023 72.0762 33.0235 122.048 GPRESSURE: 4444400 132.65 -315.428 93.0217 -337.425 -121.593 54.973 70.2305 90.1878 182.661 PRESSAVG: 4444400 -20.4491 -28.3871 53.9523 -28.387 5.50047 19.0478 53.9523 19.0479 -8.65272 GPRESSAVG: 4444400 -17.2667 -25.6948 53.2157 -28.1496 2.89605 18.0733 55.5294 20.3214 -9.34364 TIMING: 4444400 CPU: 13882.3, 0.00314955/step Wall: 13882.3, 0.00314955/step, 0.486081 hours remaining, 234.828125 MB of memory in use. ENERGY: 4444400 3987.1029 20539.8085 14503.8410 261.6604 -203356.2765 2870.8377 0.0000 0.0000 51740.9180 -109452.1080 297.3558 -161193.0260 -109096.8650 298.4050 45.7282 64.5729 762935.6879 -7.8671 -7.9048 PRESSURE: 4444600 -88.1666 -75.4627 88.7793 -75.4627 -222.802 -248.804 88.7803 -248.806 -194.667 GPRESSURE: 4444600 18.7476 -87.1015 19.2713 -75.2577 -229.13 -220.325 66.136 -109.681 -206.979 PRESSAVG: 4444600 19.8511 -69.4947 14.7133 -69.4946 -44.6427 32.1317 14.7133 32.1316 3.79382 GPRESSAVG: 4444600 18.9072 -70.6615 15.0321 -67.7074 -43.6268 32.3461 13.1003 33.0322 3.7141 TIMING: 4444600 CPU: 13882.9, 0.00308428/step Wall: 13882.9, 0.00308428/step, 0.475836 hours remaining, 235.222656 MB of memory in use. ENERGY: 4444600 3994.6633 20352.6442 14407.5086 226.6167 -203101.8761 2669.1491 0.0000 0.0000 52050.7972 -109400.4971 299.1366 -161451.2944 -109039.8804 298.7221 -168.5453 -139.1206 763597.6770 -6.9993 -7.0019 PRESSURE: 4444800 -319.586 82.4483 100.039 82.4476 16.3271 320.212 100.04 320.212 -52.166 GPRESSURE: 4444800 -240.439 169.447 44.1302 -128.513 50.4509 300.871 148.738 225.365 -63.8234 PRESSAVG: 4444800 -34.4231 -52.8231 15.6168 -52.823 46.6049 -22.197 15.6168 -22.1971 22.843 GPRESSAVG: 4444800 -34.8589 -49.889 15.0838 -56.7128 47.4551 -21.3798 16.3545 -22.7263 22.4837 TIMING: 4444800 CPU: 13883.6, 0.00309383/step Wall: 13883.6, 0.00309383/step, 0.477138 hours remaining, 235.222656 MB of memory in use. ENERGY: 4444800 3932.2761 20431.0974 14435.0558 261.7365 -203473.2755 2753.0851 0.0000 0.0000 52320.1667 -109339.8579 300.6847 -161660.0245 -108970.4126 299.0951 -118.4748 -84.6039 762616.6282 11.6749 11.6933 PRESSURE: 4445000 338.331 105.067 124.231 105.067 -329.915 -82.0459 124.231 -82.0462 -1.22352 GPRESSURE: 4445000 340.855 41.8876 136.94 108.168 -271.341 -127.333 138.214 -145.326 23.0202 PRESSAVG: 4445000 -29.8106 -29.0288 57.6106 -29.0288 -0.13681 29.548 57.6106 29.548 9.03745 GPRESSAVG: 4445000 -31.2796 -29.8357 59.1607 -28.2914 -0.270746 31.1068 58.524 30.2686 10.4503 TIMING: 4445000 CPU: 13884.2, 0.0030943/step Wall: 13884.2, 0.0030943/step, 0.477038 hours remaining, 235.222656 MB of memory in use. ENERGY: 4445000 4007.1568 20568.9415 14436.2190 236.8952 -202948.4360 2450.6060 0.0000 0.0000 51968.8580 -109279.7595 298.6657 -161248.6175 -108929.5089 299.1921 2.3976 30.8448 762222.5715 -6.9700 -7.0333 PRESSURE: 4445200 136.723 -48.6093 74.9485 -48.6087 38.7097 28.3433 74.9481 28.342 -20.8302 GPRESSURE: 4445200 183.883 76.5983 -39.9233 -98.3238 44.3811 13.7384 26.2858 4.61059 15.0983 PRESSAVG: 4445200 -13.8545 -54.9417 40.9043 -54.9417 52.2667 -17.1406 40.9042 -17.1405 -3.52488 GPRESSAVG: 4445200 -12.5127 -55.8568 37.8679 -52.1736 51.6269 -19.3696 39.4487 -19.1148 -3.87311 TIMING: 4445200 CPU: 13884.8, 0.00309453/step Wall: 13884.8, 0.00309452/step, 0.476901 hours remaining, 235.222656 MB of memory in use. ENERGY: 4445200 3955.2759 20343.8919 14478.9011 228.8183 -202944.4743 2364.5645 0.0000 0.0000 52042.6940 -109530.3286 299.0901 -161573.0226 -109167.6586 299.1690 51.5341 81.1209 761596.5704 11.6291 11.7470 PRESSURE: 4445400 150.057 -41.7638 219.875 -41.7633 -72.1827 -30.4757 219.875 -30.4763 337.534 GPRESSURE: 4445400 227.809 -53.5603 197.131 22.507 -44.0749 54.2387 195.601 28.512 316.464 PRESSAVG: 4445400 -69.295 -81.4449 0.84353 -81.4449 47.8424 12.5283 0.843572 12.5283 -7.28684 GPRESSAVG: 4445400 -68.758 -80.3062 5.21016 -83.5099 48.285 13.6458 -1.44695 13.442 -8.05077 TIMING: 4445400 CPU: 13885.4, 0.00311345/step Wall: 13885.4, 0.00311345/step, 0.479644 hours remaining, 235.222656 MB of memory in use. ENERGY: 4445400 3946.6862 20490.7461 14427.2503 243.6330 -203500.0329 2842.0050 0.0000 0.0000 51942.3019 -109607.4104 298.5131 -161549.7124 -109248.6035 298.6634 138.4692 166.7326 763097.0772 -9.5798 -9.5079 PRESSURE: 4445600 75.187 78.8293 31.046 78.8282 -237.717 163.14 31.0458 163.14 -213.447 GPRESSURE: 4445600 56.4532 219.894 -44.1123 158.684 -269.851 204.325 118.484 30.7338 -99.1901 PRESSAVG: 4445600 64.6699 6.07293 36.8821 6.07292 -51.2659 29.6171 36.8821 29.6171 14.7174 GPRESSAVG: 4445600 64.1181 6.01686 32.9422 5.89704 -52.1907 28.5298 39.8781 28.4328 15.9816 TIMING: 4445600 CPU: 13886, 0.00309648/step Wall: 13886, 0.00309648/step, 0.476858 hours remaining, 235.222656 MB of memory in use. ENERGY: 4445600 3946.6303 20551.1431 14385.0724 231.1951 -203188.0638 2629.4632 0.0000 0.0000 51758.2926 -109686.2672 297.4556 -161444.5598 -109330.8224 298.4561 -125.3257 -104.1960 764899.0900 9.3738 9.3030 PRESSURE: 4445800 -422.364 -62.5204 3.50085 -62.5199 -270.296 32.9749 3.50242 32.9748 392.602 GPRESSURE: 4445800 -351.584 -53.2809 98.9887 -36.7977 -203.45 0.343758 -35.0397 28.7681 331.704 PRESSAVG: 4445800 -12.3756 -27.5779 2.12113 -27.5779 -25.3099 -1.86539 2.12112 -1.86526 0.957717 GPRESSAVG: 4445800 -11.9627 -27.1001 3.773 -26.6959 -24.7832 -0.928139 1.24966 0.416382 -0.207899 TIMING: 4445800 CPU: 13886.7, 0.00310264/step Wall: 13886.7, 0.00310264/step, 0.477634 hours remaining, 235.222656 MB of memory in use. ENERGY: 4445800 4001.9482 20456.6566 14446.7880 240.8085 -203127.3807 2579.4185 0.0000 0.0000 51740.9118 -109660.8491 297.3557 -161401.7609 -109303.4518 298.5232 -100.0192 -74.4432 763818.2533 -12.2426 -12.3180 PRESSURE: 4446000 221.97 -229.16 -26.5328 -229.16 -8.24655 125.234 -26.5327 125.234 -77.3861 GPRESSURE: 4446000 286.924 -183.036 -46.2496 -155.105 -40.0832 84.9568 -96.0121 65.6646 16.6943 PRESSAVG: 4446000 10.3413 -44.4882 -63.4298 -44.4882 -26.3533 -22.3978 -63.4299 -22.3979 19.2653 GPRESSAVG: 4446000 10.6628 -45.8512 -62.4782 -45.4505 -26.5389 -22.5965 -61.9913 -23.066 19.5029 TIMING: 4446000 CPU: 13887.3, 0.00309803/step Wall: 13887.3, 0.00309803/step, 0.476752 hours remaining, 235.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4446000 4053.4633 20353.4189 14422.5215 246.5320 -203910.0323 3005.0791 0.0000 0.0000 52208.0794 -109620.9380 300.0405 -161829.0174 -109262.4469 298.9421 45.4457 87.8450 762165.3056 1.0844 1.2090 PRESSURE: 4446200 -53.0549 -17.2291 6.65978 -17.2291 -274.748 -42.0731 6.65909 -42.0732 -88.6312 GPRESSURE: 4446200 6.84474 -113.497 18.5142 70.6363 -255.683 25.9831 84.7883 -115.493 -90.3527 PRESSAVG: 4446200 -14.0986 -10.2158 -49.5472 -10.2157 -28.4493 14.0817 -49.5473 14.0818 -2.33486 GPRESSAVG: 4446200 -14.4641 -9.34295 -49.504 -10.1875 -28.438 15.9713 -52.0107 9.85066 -2.3006 TIMING: 4446200 CPU: 13887.9, 0.00308997/step Wall: 13887.9, 0.00308997/step, 0.475341 hours remaining, 235.222656 MB of memory in use. ENERGY: 4446200 3927.8844 20508.2476 14474.2881 229.0500 -203300.3590 2623.5659 0.0000 0.0000 52016.3432 -109520.9799 298.9386 -161537.3230 -109159.8773 298.7371 -138.8114 -113.0638 761717.0293 -14.9609 -15.0676 PRESSURE: 4446400 -170.484 290.705 -1.93289 290.704 -143.226 171.842 -1.93301 171.841 -598.77 GPRESSURE: 4446400 -149.902 167.011 -38.9872 231.011 -143.407 176.134 -39.3711 167.764 -542.759 PRESSAVG: 4446400 36.0185 6.41325 -3.97968 6.41327 0.113372 25.696 -3.97965 25.6961 -17.8118 GPRESSAVG: 4446400 35.2211 5.25121 -3.55931 6.93215 1.24272 22.7326 -4.03469 28.2704 -18.1019 TIMING: 4446400 CPU: 13888.5, 0.00310355/step Wall: 13888.5, 0.00310355/step, 0.477257 hours remaining, 235.222656 MB of memory in use. ENERGY: 4446400 3985.8769 20667.7036 14527.7636 252.2099 -203208.3385 2440.2673 0.0000 0.0000 51740.2036 -109594.3136 297.3517 -161334.5172 -109240.7501 298.6033 -304.1603 -278.6894 761356.2397 6.1067 6.1206 PRESSURE: 4446600 26.0302 -26.5051 -199.089 -26.5053 6.98765 -102.802 -199.088 -102.801 -58.0125 GPRESSURE: 4446600 134.7 88.0295 -150.421 -12.0564 -36.431 -177.585 -160.527 -147.289 -42.4159 PRESSAVG: 4446600 26.2311 5.07916 -63.8204 5.07911 -18.4539 -11.5942 -63.8203 -11.5942 13.0959 GPRESSAVG: 4446600 27.7737 5.42908 -63.6684 6.27846 -19.8406 -12.2294 -62.8233 -10.7616 12.5868 TIMING: 4446600 CPU: 13889.1, 0.00311183/step Wall: 13889.1, 0.00311183/step, 0.478358 hours remaining, 235.222656 MB of memory in use. ENERGY: 4446600 4070.8402 20398.5565 14440.2607 235.4223 -203557.3563 2829.3818 0.0000 0.0000 52192.3344 -109390.5603 299.9501 -161582.8947 -109020.6989 298.9176 -8.3316 18.6179 760799.4740 6.9577 6.8399 PRESSURE: 4446800 319.203 -21.5124 -22.5316 -21.5126 -307.845 36.0193 -22.5312 36.0199 150.122 GPRESSURE: 4446800 372.64 25.9665 -32.7136 -65.9982 -290.426 -19.4232 -2.78522 61.0909 153.723 PRESSAVG: 4446800 33.3935 -21.5552 -40.4048 -21.5551 -46.9698 12.2574 -40.4047 12.2574 -24.0783 GPRESSAVG: 4446800 33.2401 -22.1323 -40.9335 -23.0713 -46.2118 11.9796 -41.2744 11.0853 -24.9072 TIMING: 4446800 CPU: 13889.8, 0.00309949/step Wall: 13889.8, 0.00309949/step, 0.476289 hours remaining, 235.222656 MB of memory in use. ENERGY: 4446800 3967.0626 20594.6031 14460.2224 242.7685 -203211.3778 2633.4852 0.0000 0.0000 52028.7631 -109284.4729 299.0100 -161313.2360 -108930.8837 299.5072 53.8268 78.6460 760680.2448 -12.5515 -12.6263 PRESSURE: 4447000 511.452 -36.4704 -94.6458 -36.4705 73.3464 1.21197 -94.6459 1.21212 -62.9996 GPRESSURE: 4447000 417.935 -43.4514 -164.546 -41.7243 158.349 -83.6093 -57.5216 114.352 28.8395 PRESSAVG: 4447000 44.7261 28.6755 -38.993 28.6754 -25.8674 12.3669 -38.993 12.3668 -6.51005 GPRESSAVG: 4447000 43.1739 28.3813 -39.0338 31.1968 -24.2901 13.075 -39.9211 13.5733 -5.54341 TIMING: 4447000 CPU: 13890.4, 0.00310633/step Wall: 13890.4, 0.00310633/step, 0.477167 hours remaining, 235.222656 MB of memory in use. ENERGY: 4447000 3997.7116 20563.9085 14392.6796 248.1004 -203466.3757 2759.2689 0.0000 0.0000 52109.2679 -109395.4388 299.4727 -161504.7067 -109036.2691 299.5168 173.9330 201.7077 758788.1698 4.1162 4.4468 PRESSURE: 4447200 15.8334 1.22453 7.85534 1.22423 175.86 -138.868 7.85514 -138.867 73.5128 GPRESSURE: 4447200 50.8524 -89.5296 -61.8432 -26.111 218.967 -29.1531 -70.4765 -103.733 80.0862 PRESSAVG: 4447200 -4.37823 -49.0034 -28.5133 -49.0034 -2.16975 -72.5291 -28.5133 -72.5291 15.6644 GPRESSAVG: 4447200 -3.09571 -49.4706 -28.1767 -51.1992 -3.94858 -71.6922 -28.2487 -73.2452 16.078 TIMING: 4447200 CPU: 13891, 0.00312862/step Wall: 13891, 0.00312862/step, 0.480416 hours remaining, 235.222656 MB of memory in use. ENERGY: 4447200 3857.0117 20485.6211 14439.1319 253.9902 -203166.0813 2666.1428 0.0000 0.0000 51886.3015 -109577.8821 298.1913 -161464.1835 -109220.9231 298.9322 88.4021 116.6352 762264.3078 3.0388 3.0112 PRESSURE: 4447400 260.946 38.3963 97.4961 38.3964 337.12 -167.699 97.495 -167.7 -117.015 GPRESSURE: 4447400 351.751 69.8508 134.766 1.96315 247.963 -185.306 177.837 -235.418 -32.8028 PRESSAVG: 4447400 3.22386 -39.822 22.9919 -39.822 16.2951 -20.8622 22.9918 -20.8622 -17.3776 GPRESSAVG: 4447400 2.80591 -38.8382 20.7048 -38.127 16.4032 -21.8217 24.3089 -20.0596 -17.2226 TIMING: 4447400 CPU: 13891.6, 0.00312588/step Wall: 13891.6, 0.00312588/step, 0.479823 hours remaining, 235.222656 MB of memory in use. ENERGY: 4447400 3970.6932 20442.7380 14326.0927 249.1274 -203143.5328 2576.0575 0.0000 0.0000 52059.9175 -109518.9064 299.1891 -161578.8240 -109152.2389 299.2313 160.3505 188.9704 762097.3918 0.7138 0.6622 PRESSURE: 4447600 -164.357 -137.522 -3.11323 -137.522 -316.092 224.148 -3.11323 224.148 -85.2033 GPRESSURE: 4447600 -182.019 -157.653 23.9651 -98.9693 -279.495 303.713 -36.1866 127.995 -11.4904 PRESSAVG: 4447600 -74.7363 -30.7425 -20.3946 -30.7424 59.6275 14.8 -20.3946 14.8 2.75517 GPRESSAVG: 4447600 -74.5743 -29.6837 -18.9937 -30.5402 60.9014 15.3398 -21.4966 14.1006 0.868308 TIMING: 4447600 CPU: 13892.3, 0.00312753/step Wall: 13892.3, 0.00312753/step, 0.479903 hours remaining, 235.222656 MB of memory in use. ENERGY: 4447600 3963.9342 20376.5211 14420.6025 230.9554 -202814.0195 2439.2305 0.0000 0.0000 51863.6812 -109519.0945 298.0613 -161382.7757 -109173.3744 298.5433 -188.5507 -157.6682 762920.4668 -4.1179 -4.2682 PRESSURE: 4447800 -325.391 203.914 -314.326 203.915 -560.514 102.032 -314.326 102.031 69.2301 GPRESSURE: 4447800 -297.852 212.209 -349.8 69.0324 -551.508 112.719 -323.317 88.576 119.019 PRESSAVG: 4447800 -24.4063 -60.1795 -15.0996 -60.1796 2.06797 51.3954 -15.0997 51.3954 2.27772 GPRESSAVG: 4447800 -25.0046 -60.6174 -15.7678 -62.9582 0.854938 51.7445 -14.572 50.4394 3.55934 TIMING: 4447800 CPU: 13892.9, 0.00310731/step Wall: 13892.9, 0.00310731/step, 0.476627 hours remaining, 235.222656 MB of memory in use. ENERGY: 4447800 3988.6659 20345.5032 14379.1994 248.2714 -202689.6866 2191.0489 0.0000 0.0000 51804.3325 -109732.6652 297.7202 -161536.9977 -109376.2008 298.1814 -272.2252 -243.4469 764657.4483 -6.6869 -6.8634 PRESSURE: 4448000 -23.3555 19.459 116.027 19.4585 121.441 -73.9217 116.027 -73.9213 365.074 GPRESSURE: 4448000 93.1494 -37.9506 178.409 68.1377 147.433 -84.3414 57.7642 -87.0029 309.555 PRESSAVG: 4448000 -2.14587 -53.4206 -47.5533 -53.4206 39.2177 60.5391 -47.5533 60.539 -2.52776 GPRESSAVG: 4448000 -2.7443 -52.8015 -46.4656 -51.6113 39.1127 59.6942 -47.3242 58.5413 -2.43814 TIMING: 4448000 CPU: 13893.5, 0.00310931/step Wall: 13893.5, 0.00310931/step, 0.47676 hours remaining, 235.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4448000 4009.9050 20366.7155 14403.7926 244.7970 -203719.2875 3044.9677 0.0000 0.0000 51884.8818 -109764.2279 298.1831 -161649.1097 -109413.7071 297.7466 154.3864 183.3793 762415.6168 11.5147 11.3101 PRESSURE: 4448200 -343.968 -14.4605 30.0352 -14.4615 -40.8673 20.6342 30.0364 20.6336 -104.632 GPRESSURE: 4448200 -319.026 80.3733 14.1597 -121.356 77.7189 -13.1945 -8.2724 67.9142 -166.695 PRESSAVG: 4448200 -1.92837 -23.7963 5.04447 -23.7962 12.4711 19.5431 5.04445 19.5431 -5.38129 GPRESSAVG: 4448200 -1.2734 -24.2003 4.53092 -23.4467 13.6015 19.6287 5.86704 21.1131 -5.88046 TIMING: 4448200 CPU: 13894.1, 0.00311605/step Wall: 13894.1, 0.00311605/step, 0.477622 hours remaining, 235.222656 MB of memory in use. ENERGY: 4448200 4008.4876 20461.4582 14515.7780 244.4966 -203282.6560 2750.7640 0.0000 0.0000 51905.5561 -109396.1155 298.3019 -161301.6716 -109035.2782 298.4417 -163.1556 -136.0005 763279.8418 1.7205 2.1492 LDB: ============= START OF LOAD BALANCING ============== 13906.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13906.6 LDB: =============== DONE WITH MIGRATION ================ 13906.6 LDB: ============= START OF LOAD BALANCING ============== 13906.9 LDB: Largest compute 7063 load 0.030286 is 15.5% of average load 0.195335 LDB: Average compute 0.004387 is 2.2% of average load 0.195335 LDB: TIME 13906.9 LOAD: AVG 0.195335 MAX 0.217534 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.547 MB LDB: TIME 13906.9 LOAD: AVG 0.195335 MAX 0.217534 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.641 MB LDB: TIME 13906.9 LOAD: AVG 0.195335 MAX 0.217534 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.641 MB LDB: ============== END OF LOAD BALANCING =============== 13906.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13906.9 PRESSURE: 4448400 214.11 -52.1889 -77.4338 -52.1881 145.749 26.526 -77.4338 26.5257 -154.863 GPRESSURE: 4448400 143.466 -182.112 -0.647882 13.7607 188.692 -76.8044 1.22234 -96.7411 -44.5846 PRESSAVG: 4448400 -7.78741 -40.1466 -14.7713 -40.1465 7.10813 30.5583 -14.7712 30.5583 19.681 GPRESSAVG: 4448400 -6.50522 -41.0313 -15.8314 -39.6686 6.2191 31.3185 -16.9053 31.6625 19.011 TIMING: 4448400 CPU: 13894.8, 0.00318249/step Wall: 13894.8, 0.00318249/step, 0.487628 hours remaining, 234.828125 MB of memory in use. ENERGY: 4448400 4076.0992 20346.4337 14465.9340 252.9371 -203448.1730 2870.3611 0.0000 0.0000 52000.9382 -109435.4696 298.8501 -161436.4078 -109068.8613 298.6677 68.3317 95.8579 763181.4236 6.3339 6.2416 PRESSURE: 4448600 -222.361 -139.97 278.521 -139.971 415.84 59.3824 278.521 59.3817 31.6776 GPRESSURE: 4448600 -204.687 -142.297 194.672 -62.9683 487.99 20.175 189.26 42.3756 41.0004 PRESSAVG: 4448600 3.41802 5.01398 35.8658 5.01396 1.99632 13.788 35.8658 13.788 -3.0816 GPRESSAVG: 4448600 1.66328 4.63871 37.4343 3.33907 1.9609 14.781 38.3952 13.6234 -0.888031 TIMING: 4448600 CPU: 13895.4, 0.00310449/step Wall: 13895.4, 0.00310449/step, 0.475505 hours remaining, 235.031250 MB of memory in use. ENERGY: 4448600 3995.1905 20535.3289 14456.0343 244.8913 -203522.4977 2966.5346 0.0000 0.0000 51924.6744 -109399.8437 298.4118 -161324.5181 -109052.0065 299.1689 75.0521 108.1013 763311.7791 0.7776 0.9120 PRESSURE: 4448800 -29.608 -99.5402 -71.7641 -99.5402 261.957 16.9009 -71.7638 16.9021 -56.144 GPRESSURE: 4448800 20.3985 71.3961 -90.3422 -63.5654 318.581 6.49771 -20.0005 76.6154 -76.9266 PRESSAVG: 4448800 -49.6906 -20.1055 26.9348 -20.1055 69.7589 -30.8218 26.9348 -30.8218 -4.68418 GPRESSAVG: 4448800 -48.8987 -18.0335 26.9747 -19.7062 69.8893 -33.8276 26.3245 -29.0401 -5.10616 TIMING: 4448800 CPU: 13896, 0.00311586/step Wall: 13896, 0.00311586/step, 0.477072 hours remaining, 235.031250 MB of memory in use. ENERGY: 4448800 3979.1591 20546.0120 14426.3597 251.3767 -203250.7401 2490.2575 0.0000 0.0000 52098.1434 -109459.4317 299.4087 -161557.5751 -109084.1182 298.9937 58.7349 87.3510 760954.0679 5.1280 5.2948 PRESSURE: 4449000 -59.0512 36.1288 -48.4214 36.1288 124.457 -68.755 -48.422 -68.7557 50.9603 GPRESSURE: 4449000 26.9911 -88.7208 -13.8011 81.8328 176.374 -78.7067 -12.9871 92.243 10.3335 PRESSAVG: 4449000 4.2656 18.3682 13.4481 18.3682 -16.5454 -42.1269 13.448 -42.1269 -10.6746 GPRESSAVG: 4449000 4.31353 16.5348 11.8588 19.7062 -16.3464 -40.3873 13.6624 -41.4036 -11.0805 TIMING: 4449000 CPU: 13896.6, 0.00310495/step Wall: 13896.6, 0.00310495/step, 0.47523 hours remaining, 235.031250 MB of memory in use. ENERGY: 4449000 3976.5150 20528.1794 14486.6368 261.5374 -203099.9920 2594.0916 0.0000 0.0000 51967.8453 -109285.1864 298.6599 -161253.0317 -108924.5203 299.2047 38.7889 71.2328 762901.9575 -7.6515 -7.7045 PRESSURE: 4449200 -401.777 31.7244 -86.8977 31.7242 -99.0192 -34.5292 -86.8973 -34.5292 -408.812 GPRESSURE: 4449200 -475.744 -8.43257 -123.986 141.38 -15.1733 -8.77618 -73.092 -91.3298 -330.285 PRESSAVG: 4449200 25.8756 -27.6883 45.2854 -27.6883 -23.1678 -16.0239 45.2854 -16.0238 -2.67451 GPRESSAVG: 4449200 25.8387 -25.9041 43.9598 -27.7666 -23.2631 -15.2281 45.8145 -17.8081 -2.90574 TIMING: 4449200 CPU: 13897.3, 0.00312326/step Wall: 13897.3, 0.00312326/step, 0.477859 hours remaining, 235.031250 MB of memory in use. ENERGY: 4449200 3962.3815 20510.4609 14374.5867 249.7783 -202833.9532 2218.4696 0.0000 0.0000 52093.7169 -109424.5592 299.3833 -161518.2761 -109060.0007 299.0293 -303.2026 -273.7339 761619.4372 0.0111 -0.1100 PRESSURE: 4449400 -395.76 -178.067 -10.9851 -178.067 87.8746 -132.88 -10.9848 -132.878 143.519 GPRESSURE: 4449400 -297.159 -100.109 -29.7707 -286.103 109.485 -166.8 11.7463 -140.508 118.244 PRESSAVG: 4449400 -18.9194 -20.505 29.8827 -20.505 13.8299 -26.9097 29.8827 -26.9097 8.72261 GPRESSAVG: 4449400 -18.4296 -22.3821 32.3818 -20.3683 13.0808 -28.7058 28.3349 -26.5575 8.83912 TIMING: 4449400 CPU: 13897.9, 0.00315246/step Wall: 13897.9, 0.00315246/step, 0.482151 hours remaining, 235.031250 MB of memory in use. ENERGY: 4449400 3971.4108 20686.3942 14456.0296 237.6398 -202876.9460 2416.2316 0.0000 0.0000 51828.0481 -109281.1919 297.8565 -161109.2399 -108925.3524 299.0791 -54.7889 -23.1433 763751.2138 1.2110 1.1634 PRESSURE: 4449600 -222.183 24.6261 68.8878 24.6263 183.222 -33.4831 68.8888 -33.4828 -17.7222 GPRESSURE: 4449600 -203.712 52.6334 59.8806 11.2238 238.52 -206.158 21.3422 30.0533 5.44347 PRESSAVG: 4449600 -34.7627 16.3622 23.5892 16.3622 83.2244 33.7526 23.5892 33.7527 -15.7816 GPRESSAVG: 4449600 -33.8995 16.613 21.965 15.0963 83.6643 33.7625 22.9823 33.8765 -17.1655 TIMING: 4449600 CPU: 13898.5, 0.00312879/step Wall: 13898.5, 0.00312879/step, 0.478357 hours remaining, 235.031250 MB of memory in use. ENERGY: 4449600 3930.8545 20476.5719 14467.3893 243.0580 -203243.8128 2743.4293 0.0000 0.0000 52141.3065 -109241.2033 299.6568 -161382.5098 -108871.6523 299.4832 -18.8943 13.4172 763374.7397 10.8934 10.8664 PRESSURE: 4449800 -201.053 -135.01 -19.9689 -135.009 -100.386 -35.5383 -19.9691 -35.5396 -77.5324 GPRESSURE: 4449800 -169.328 -298.847 -23.4614 -200.73 -35.6663 16.4254 78.4954 -20.0151 -80.6287 PRESSAVG: 4449800 -70.7726 -19.4156 67.9985 -19.4156 54.5208 -13.9092 67.9986 -13.9092 -12.7651 GPRESSAVG: 4449800 -72.1825 -18.2746 68.3429 -20.6972 54.9947 -12.299 69.7778 -14.1529 -11.9156 TIMING: 4449800 CPU: 13899.1, 0.00311314/step Wall: 13899.1, 0.00311314/step, 0.475791 hours remaining, 235.031250 MB of memory in use. ENERGY: 4449800 3915.9797 20367.5985 14485.9937 231.0514 -202552.9068 2240.9957 0.0000 0.0000 51936.1407 -109375.1472 298.4777 -161311.2879 -109012.5305 298.9153 -126.3238 -95.2076 763439.3853 -9.6723 -9.7011 PRESSURE: 4450000 8.44102 10.2402 -12.8084 10.2399 59.3656 -94.3531 -12.8087 -94.3533 54.0916 GPRESSURE: 4450000 36.0185 29.8176 -12.0727 -8.54676 67.4036 -121.371 -130.805 -152.106 87.4199 PRESSAVG: 4450000 20.0735 8.49767 33.0313 8.49761 -13.8302 -81.3879 33.0313 -81.3879 8.63241 GPRESSAVG: 4450000 21.213 8.16728 33.6946 10.8059 -14.7536 -81.4405 31.7296 -82.2404 8.46748 TIMING: 4450000 CPU: 13899.8, 0.0031471/step Wall: 13899.8, 0.0031471/step, 0.480807 hours remaining, 235.031250 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: 4450000 3991.7914 20646.2926 14410.7505 224.6245 -203879.6580 2906.3829 0.0000 0.0000 52255.8109 -109444.0052 300.3149 -161699.8161 -109083.5708 298.8424 40.6328 63.6140 760462.3522 4.9586 4.9756 PRESSURE: 4450200 -33.5668 -211.617 60.1778 -211.618 -198.235 -24.4625 60.1783 -24.4626 -87.9943 GPRESSURE: 4450200 -38.1467 -250.252 51.0393 -244.971 -183.354 -46.7171 34.2464 -81.4533 -18.017 PRESSAVG: 4450200 47.0616 -36.4667 90.8116 -36.4667 -6.65542 -8.96207 90.8117 -8.9621 11.3678 GPRESSAVG: 4450200 46.8794 -35.0589 89.73 -37.4979 -6.75109 -9.26675 90.9061 -8.8489 11.7075 TIMING: 4450200 CPU: 13900.4, 0.00312736/step Wall: 13900.4, 0.00312736/step, 0.477618 hours remaining, 235.031250 MB of memory in use. ENERGY: 4450200 3903.6139 20486.5456 14447.1872 236.7309 -202839.4502 2173.6927 0.0000 0.0000 52134.9676 -109456.7123 299.6204 -161591.6799 -109091.0900 299.0732 -106.5987 -79.8393 761524.5968 17.2580 17.2786 PRESSURE: 4450400 -141.85 36.5013 -112.717 36.5015 49.6969 58.4484 -112.717 58.4493 22.2855 GPRESSURE: 4450400 -56.7132 38.1927 -29.9502 106.981 47.7245 89.8197 -1.32493 8.97094 33.3356 PRESSAVG: 4450400 -22.5705 -3.74907 26.8974 -3.74911 -5.37422 -8.27132 26.8975 -8.27131 -15.5193 GPRESSAVG: 4450400 -23.2108 -4.73763 27.2721 -2.6191 -4.58256 -8.25809 28.9299 -8.55935 -15.7329 TIMING: 4450400 CPU: 13901, 0.0031196/step Wall: 13901, 0.0031196/step, 0.476258 hours remaining, 235.031250 MB of memory in use. ENERGY: 4450400 3971.8567 20557.5976 14564.5471 245.6507 -203407.9136 2884.4108 0.0000 0.0000 51893.1626 -109290.6880 298.2307 -161183.8506 -108935.8482 299.3705 -23.2893 8.1156 761542.4016 -14.4880 -14.5087 PRESSURE: 4450600 -461.529 227.435 -48.5426 227.435 -308.777 -9.81187 -48.5424 -9.81162 -126.805 GPRESSURE: 4450600 -461.874 130.261 57.683 151.492 -337.391 -72.8449 -159.863 -137.541 -2.43248 PRESSAVG: 4450600 -5.78053 -34.6198 26.1722 -34.6198 41.9856 -34.9636 26.1722 -34.9636 25.4113 GPRESSAVG: 4450600 -5.44823 -35.8351 26.3223 -35.2375 42.3628 -34.5327 25.5978 -35.4768 25.2696 TIMING: 4450600 CPU: 13901.6, 0.00312012/step Wall: 13901.6, 0.00312012/step, 0.476164 hours remaining, 235.031250 MB of memory in use. ENERGY: 4450600 3945.0579 20608.3142 14507.8784 230.4302 -203222.8738 2767.8941 0.0000 0.0000 51932.4271 -109230.8719 298.4564 -161163.2990 -108874.1956 299.0481 -299.0372 -267.2324 762765.3490 20.5388 20.7281 PRESSURE: 4450800 94.0125 187.058 -236.132 187.057 -295.518 -3.7002 -236.131 -3.69972 130.036 GPRESSURE: 4450800 128.685 114.979 -228.143 143.437 -202.058 60.5904 -215.598 -62.5144 81.123 PRESSAVG: 4450800 44.8805 69.4614 16.8443 69.4613 -12.2549 -41.5239 16.8443 -41.5239 -27.7383 GPRESSAVG: 4450800 44.567 67.0786 16.3156 70.0951 -11.9374 -42.3879 15.5163 -41.0929 -27.6346 TIMING: 4450800 CPU: 13902.3, 0.00314535/step Wall: 13902.3, 0.00314535/step, 0.47984 hours remaining, 235.031250 MB of memory in use. ENERGY: 4450800 3989.5970 20469.7124 14547.2201 249.8098 -202917.6461 2425.0173 0.0000 0.0000 51853.7573 -109382.5322 298.0043 -161236.2895 -109014.4472 299.3039 -23.8231 2.5833 763096.6689 1.6291 1.6650 PRESSURE: 4451000 126.356 -59.869 2.57301 -59.8697 208.613 -31.8068 2.57262 -31.8061 -151.472 GPRESSURE: 4451000 176.297 56.3429 34.4842 -69.5882 234.174 -65.3641 -151.411 -3.45373 -145.845 PRESSAVG: 4451000 15.9527 -11.6337 54.0533 -11.6337 2.16046 -16.6869 54.0533 -16.6868 -4.48731 GPRESSAVG: 4451000 16.5345 -7.70139 56.094 -12.7625 1.1982 -17.1254 52.13 -16.6809 -3.68248 TIMING: 4451000 CPU: 13902.9, 0.0030841/step Wall: 13902.9, 0.0030841/step, 0.470325 hours remaining, 235.031250 MB of memory in use. ENERGY: 4451000 3915.5026 20655.9963 14460.1511 236.1008 -203166.3808 2461.5411 0.0000 0.0000 51858.9683 -109578.1207 298.0342 -161437.0889 -109220.6181 299.0054 61.1654 88.2085 762226.1067 4.5419 4.6834 PRESSURE: 4451200 -64.7927 29.5731 12.4503 29.5731 2.61754 -182.103 12.4506 -182.103 154.819 GPRESSURE: 4451200 16.8433 -12.9596 -122.54 -46.3219 48.9 -84.7371 114.527 -230.936 127.533 PRESSAVG: 4451200 -17.139 20.8379 1.27813 20.8379 36.3354 -61.674 1.2781 -61.6741 -1.1757 GPRESSAVG: 4451200 -17.4672 20.8945 -1.49795 19.6122 36.8146 -61.253 2.93329 -62.1009 -0.785997 TIMING: 4451200 CPU: 13903.5, 0.00308968/step Wall: 13903.5, 0.00308968/step, 0.471005 hours remaining, 235.031250 MB of memory in use. ENERGY: 4451200 3950.3817 20442.7234 14457.1968 243.5901 -203759.7154 2949.9999 0.0000 0.0000 51993.5902 -109722.2333 298.8079 -161715.8235 -109347.9066 298.4777 30.8812 64.4254 763401.9744 6.0069 6.1871 PRESSURE: 4451400 -155.635 26.4518 256.886 26.4518 -153.884 -206.763 256.885 -206.763 -298.093 GPRESSURE: 4451400 -206.044 21.0648 224.385 -26.9552 -91.1641 -334.942 241.366 -112.544 -221.724 PRESSAVG: 4451400 -20.8499 0.0290112 -20.2205 0.0289895 39.6805 -47.6631 -20.2205 -47.6631 1.99332 GPRESSAVG: 4451400 -20.2098 -2.3919 -19.8806 -0.0730224 40.3915 -48.8797 -20.7802 -47.168 1.1988 TIMING: 4451400 CPU: 13904.1, 0.00310835/step Wall: 13904.1, 0.00310835/step, 0.473679 hours remaining, 235.031250 MB of memory in use. ENERGY: 4451400 4031.9311 20471.2743 14491.4143 236.8060 -203305.0000 2531.6966 0.0000 0.0000 51894.8348 -109647.0430 298.2403 -161541.8778 -109302.2128 298.0444 -202.5372 -172.9773 765589.2034 6.9413 7.1269 PRESSURE: 4451600 -189.974 0.531939 -46.1576 0.53107 -136.998 38.5657 -46.1587 38.5648 -319.752 GPRESSURE: 4451600 -111.02 52.6246 -59.0054 -54.8306 -119.285 34.6044 -171.15 -11.7624 -351.24 PRESSAVG: 4451600 -9.26984 63.1449 12.7579 63.1449 59.916 -20.2983 12.7579 -20.2983 -4.80546 GPRESSAVG: 4451600 -9.1733 64.3638 13.1259 63.6032 58.9341 -18.3579 12.7696 -21.2037 -4.33698 TIMING: 4451600 CPU: 13904.7, 0.00310249/step Wall: 13904.7, 0.00310249/step, 0.472613 hours remaining, 235.031250 MB of memory in use. ENERGY: 4451600 3983.6146 20641.3076 14427.8517 255.6692 -203137.1912 2600.4953 0.0000 0.0000 51893.6804 -109334.5724 298.2337 -161228.2529 -108980.3249 298.4583 -215.5743 -193.8485 764153.8655 15.2802 15.1413 PRESSURE: 4451800 -62.0903 18.2909 68.4577 18.2901 355.571 -147.35 68.4579 -147.349 210.945 GPRESSURE: 4451800 -43.7924 52.8251 42.1932 -51.8589 338.862 -67.6266 -3.55997 -152.713 271.257 PRESSAVG: 4451800 -90.5574 -16.4652 28.8715 -16.4652 95.6988 -29.5424 28.8715 -29.5424 -10.6014 GPRESSAVG: 4451800 -90.8216 -15.3573 29.1418 -16.5196 95.792 -31.2837 27.0273 -26.8771 -10.1218 TIMING: 4451800 CPU: 13905.4, 0.00311495/step Wall: 13905.4, 0.00311495/step, 0.474337 hours remaining, 235.031250 MB of memory in use. ENERGY: 4451800 3917.7299 20470.5562 14354.6790 245.7703 -203239.0925 2795.0497 0.0000 0.0000 51752.7190 -109702.5884 297.4236 -161455.3073 -109340.1406 298.4955 168.1417 188.7755 761268.0214 -1.8200 -1.7172 PRESSURE: 4452000 245.374 98.5683 -279.491 98.5693 -250.334 158.947 -279.489 158.946 -63.0798 GPRESSURE: 4452000 236.685 156.245 -318.417 -28.2949 -228.864 173.017 -227.404 76.9338 12.9759 PRESSAVG: 4452000 -12.0548 -8.36388 -23.3683 -8.36384 4.7337 70.9408 -23.3683 70.9409 13.9417 GPRESSAVG: 4452000 -11.4873 -7.40731 -22.0147 -9.35697 4.83265 73.7796 -22.0953 68.0127 12.2752 TIMING: 4452000 CPU: 13906, 0.00308861/step Wall: 13906, 0.00308861/step, 0.470156 hours remaining, 235.031250 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: 4452000 3934.5883 20623.2068 14431.6413 219.4541 -203379.4528 2513.3942 0.0000 0.0000 52072.8782 -109584.2899 299.2635 -161657.1681 -109230.5149 298.7183 -22.6800 6.9322 762414.5405 2.2069 1.8735 PRESSURE: 4452200 -322.866 119.191 107.786 119.19 -410.569 -87.4649 107.787 -87.464 111.416 GPRESSURE: 4452200 -274.695 100.404 52.1155 199.056 -337.571 -151.177 115.585 -76.1427 88.9607 PRESSAVG: 4452200 39.4028 -2.26071 7.68657 -2.26069 -64.6716 5.67397 7.68665 5.67393 26.4842 GPRESSAVG: 4452200 38.7056 -3.76103 5.67806 -1.44848 -63.8339 3.34708 9.82156 7.46552 26.685 TIMING: 4452200 CPU: 13906.6, 0.00310046/step Wall: 13906.6, 0.00310046/step, 0.471787 hours remaining, 235.031250 MB of memory in use. ENERGY: 4452200 3880.0409 20442.3641 14471.0773 246.9504 -202889.6627 2314.3784 0.0000 0.0000 51989.8546 -109544.9971 298.7864 -161534.8517 -109179.5167 298.6775 -207.3395 -174.4350 762189.8162 0.4051 0.5189 LDB: ============= START OF LOAD BALANCING ============== 13919.1 LDB: ============== END OF LOAD BALANCING =============== 13919.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13919.1 LDB: ============= START OF LOAD BALANCING ============== 13919.4 LDB: Largest compute 7037 load 0.031114 is 15.9% of average load 0.195344 LDB: Average compute 0.004385 is 2.2% of average load 0.195344 LDB: TIME 13919.4 LOAD: AVG 0.195344 MAX 0.217403 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.805 MB LDB: TIME 13919.4 LOAD: AVG 0.195344 MAX 0.217403 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.859 MB LDB: TIME 13919.4 LOAD: AVG 0.195344 MAX 0.217403 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.859 MB LDB: ============== END OF LOAD BALANCING =============== 13919.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13919.4 PRESSURE: 4452400 266.265 -245.254 -34.109 -245.253 244.187 -29.6866 -34.1088 -29.6873 350.995 GPRESSURE: 4452400 313.661 -170.447 0.136156 -203.858 214.277 -50.6121 -86.0227 -76.5891 405.07 PRESSAVG: 4452400 0.345352 8.60111 -2.29899 8.60111 -6.52294 -50.9218 -2.29903 -50.9218 15.5485 GPRESSAVG: 4452400 0.610251 7.95898 -0.0676766 9.75033 -7.54707 -51.3242 -5.40636 -53.465 16.1829 TIMING: 4452400 CPU: 13907.2, 0.00317383/step Wall: 13907.2, 0.00317383/step, 0.482775 hours remaining, 235.136719 MB of memory in use. ENERGY: 4452400 3989.0095 20437.4982 14479.7491 247.5636 -203608.3216 2906.7303 0.0000 0.0000 51948.1749 -109599.5959 298.5469 -161547.7708 -109249.7589 298.2949 287.1488 311.0030 761673.9276 3.1236 3.0820 PRESSURE: 4452600 30.5527 -182.944 363.768 -182.944 -38.3703 25.2032 363.768 25.2039 122.535 GPRESSURE: 4452600 38.1181 -233.521 252.406 -188.955 -63.8631 36.3476 382.165 -63.9935 221.261 PRESSAVG: 4452600 -7.12101 -46.3729 8.41772 -46.373 -6.11527 10.0961 8.41781 10.0961 -2.34239 GPRESSAVG: 4452600 -6.24085 -45.9485 6.97444 -46.9542 -6.6975 10.6797 11.4638 13.6234 -2.36101 TIMING: 4452600 CPU: 13907.9, 0.00309692/step Wall: 13907.9, 0.00309692/step, 0.470904 hours remaining, 235.207031 MB of memory in use. ENERGY: 4452600 3950.2643 20371.0615 14406.9528 238.3693 -203039.4880 2476.5505 0.0000 0.0000 51909.3150 -109686.9746 298.3235 -161596.2896 -109335.3393 298.1063 38.2391 65.1719 761144.7783 -5.1929 -5.0998 PRESSURE: 4452800 86.2655 -292.8 -15.5926 -292.8 158.982 362.5 -15.592 362.499 278.321 GPRESSURE: 4452800 55.1758 -244.936 30.5748 -218.273 231.046 396.23 33.1716 380.053 303.095 PRESSAVG: 4452800 -8.64167 -47.1813 -20.1523 -47.1813 1.20126 53.3524 -20.1522 53.3525 6.60423 GPRESSAVG: 4452800 -10.0443 -47.7112 -18.9748 -46.288 0.786184 53.743 -21.8091 51.3984 7.9341 TIMING: 4452800 CPU: 13908.5, 0.00310116/step Wall: 13908.5, 0.00310116/step, 0.471376 hours remaining, 235.207031 MB of memory in use. ENERGY: 4452800 3962.1751 20455.9534 14576.3737 244.0351 -203543.4500 2641.1252 0.0000 0.0000 52041.7868 -109622.0008 299.0849 -161663.7876 -109258.6263 298.7321 174.5229 196.4388 760487.2186 -0.2787 -0.4414 PRESSURE: 4453000 59.4793 -100.242 -100.372 -100.241 -41.7047 49.5266 -100.372 49.528 227.379 GPRESSURE: 4453000 191.949 -175.834 -104.193 -204.97 -32.8556 -12.226 17.2642 56.591 198.262 PRESSAVG: 4453000 -34.4054 -64.01 -8.09314 -64.01 17.1383 33.4048 -8.09311 33.4048 -17.5595 GPRESSAVG: 4453000 -35.2457 -62.9814 -9.40857 -65.9451 18.2056 32.4514 -7.72955 35.056 -18.1644 TIMING: 4453000 CPU: 13909.1, 0.00311225/step Wall: 13909.1, 0.00311225/step, 0.472889 hours remaining, 235.410156 MB of memory in use. ENERGY: 4453000 4009.3165 20397.3163 14503.9474 252.6449 -203055.3574 2335.1781 0.0000 0.0000 51972.2798 -109584.6745 298.6854 -161556.9543 -109215.0452 298.8124 81.7178 119.1187 760050.0162 -11.6089 -11.7348 PRESSURE: 4453200 -15.6016 10.8451 -147.251 10.8455 -108.352 142.599 -147.251 142.598 -15.4136 GPRESSURE: 4453200 -115.821 -69.8356 -100.26 -3.00202 44.9542 167.991 -174.989 7.34982 19.0759 PRESSAVG: 4453200 -15.9485 -0.523695 -56.2832 -0.523674 3.88904 47.0902 -56.2831 47.0902 19.3947 GPRESSAVG: 4453200 -15.1909 -1.15046 -56.5042 -0.933225 3.58991 46.3972 -55.0698 47.387 18.7822 TIMING: 4453200 CPU: 13909.7, 0.00310911/step Wall: 13909.7, 0.00310911/step, 0.472239 hours remaining, 235.613281 MB of memory in use. ENERGY: 4453200 3952.6527 20502.1053 14487.4523 241.3120 -203130.6796 2611.0353 0.0000 0.0000 51826.3547 -109509.7674 297.8468 -161336.1220 -109158.3785 298.6418 -46.4558 -17.2638 761041.7252 2.4451 2.3937 PRESSURE: 4453400 -68.1175 -307.984 262.382 -307.984 227.832 147.495 262.383 147.494 257.68 GPRESSURE: 4453400 2.67537 -281.242 340.583 -274.475 274.035 160.153 323.996 73.3447 238.553 PRESSAVG: 4453400 -29.0786 -69.4835 61.3164 -69.4835 15.6547 48.5703 61.3163 48.5703 -4.21838 GPRESSAVG: 4453400 -29.7966 -70.4811 62.4662 -69.4994 16.7693 50.3363 60.0488 46.255 -5.0039 TIMING: 4453400 CPU: 13910.3, 0.00309946/step Wall: 13910.3, 0.00309946/step, 0.470602 hours remaining, 235.613281 MB of memory in use. ENERGY: 4453400 3865.5211 20404.2439 14430.4020 250.2848 -203197.0329 2776.0435 0.0000 0.0000 51928.7424 -109541.7953 298.4352 -161470.5376 -109179.8028 298.5817 139.1314 171.7548 761883.6123 -5.8808 -6.0104 PRESSURE: 4453600 57.4004 -100.86 103.951 -100.858 67.225 -246.25 103.952 -246.249 -302.028 GPRESSURE: 4453600 96.2346 -141.332 102.419 -102.426 40.6754 -323.703 118.728 -142.126 -224.63 PRESSAVG: 4453600 10.9413 -45.6073 16.1997 -45.6072 10.6809 -11.3423 16.1998 -11.3422 -26.6907 GPRESSAVG: 4453600 11.0102 -43.1509 15.2826 -45.5775 9.21962 -10.5463 15.8574 -12.1924 -25.0654 TIMING: 4453600 CPU: 13911, 0.00310116/step Wall: 13911, 0.00310116/step, 0.470687 hours remaining, 235.613281 MB of memory in use. ENERGY: 4453600 4071.7382 20537.7722 14422.1038 250.6159 -203002.0816 2386.0779 0.0000 0.0000 51868.4479 -109465.3256 298.0887 -161333.7735 -109109.0182 298.6208 -59.1343 -29.2401 762502.3297 -1.6895 -1.6119 PRESSURE: 4453800 46.6834 114.73 19.1931 114.73 453.228 -50.2556 19.1937 -50.255 -325.487 GPRESSURE: 4453800 109.245 125.301 30.1093 27.2095 395.291 -55.077 5.16343 31.9505 -265.772 PRESSAVG: 4453800 3.09618 -38.3846 -8.90804 -38.3845 22.674 23.9331 -8.90797 23.9331 -5.23262 GPRESSAVG: 4453800 2.86273 -40.9414 -9.54218 -36.9579 23.1843 22.8009 -10.8413 27.2258 -5.99297 TIMING: 4453800 CPU: 13911.6, 0.00309606/step Wall: 13911.6, 0.00309606/step, 0.469742 hours remaining, 235.613281 MB of memory in use. ENERGY: 4453800 3946.1682 20318.4881 14370.1809 249.3381 -202949.5614 2441.4534 0.0000 0.0000 52146.9984 -109476.9343 299.6895 -161623.9327 -109115.9179 299.3820 58.1413 79.5883 761807.3251 6.8459 6.6847 PRESSURE: 4454000 -4.85284 61.409 364.376 61.4103 99.4439 260.528 364.376 260.527 -392.738 GPRESSURE: 4454000 -11.2353 133.145 278.419 -12.2595 118.88 213.249 271.757 216.95 -330.832 PRESSAVG: 4454000 -0.207484 -32.434 -39.2799 -32.434 30.4385 34.8922 -39.2799 34.8922 4.48114 GPRESSAVG: 4454000 0.416113 -30.6938 -40.7386 -33.0675 30.0902 36.0409 -35.8725 32.4148 4.68694 TIMING: 4454000 CPU: 13912.2, 0.00308788/step Wall: 13912.2, 0.00308788/step, 0.468329 hours remaining, 235.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4454000 3951.4045 20528.6805 14442.5149 248.8673 -202544.6275 2294.5114 0.0000 0.0000 51923.2890 -109155.3598 298.4039 -161078.6488 -108803.9634 299.1079 -99.3823 -74.3958 764050.7988 11.5707 11.7311 PRESSURE: 4454200 -341.38 -147.374 231.929 -147.374 -164.228 34.3257 231.929 34.3271 107.463 GPRESSURE: 4454200 -258.455 -131.007 166.969 -161.53 -92.9756 21.4825 183.448 -11.9898 47.5129 PRESSAVG: 4454200 26.1609 -11.4869 -42.6638 -11.4869 -1.82763 25.2126 -42.6638 25.2127 20.0968 GPRESSAVG: 4454200 25.6179 -13.1249 -42.1909 -11.0336 -0.594348 23.9136 -45.2255 24.6003 19.4572 TIMING: 4454200 CPU: 13912.8, 0.00308999/step Wall: 13912.8, 0.00308999/step, 0.468477 hours remaining, 235.613281 MB of memory in use. ENERGY: 4454200 3926.9508 20512.2843 14355.5045 233.5851 -202857.3259 2537.2283 0.0000 0.0000 52246.6327 -109045.1402 300.2621 -161291.7729 -108678.1702 299.9251 -132.7151 -101.3058 760979.8887 14.8100 14.8269 PRESSURE: 4454400 -413.35 41.7085 -66.5592 41.7091 208.763 -84.3817 -66.5597 -84.3815 -29.1251 GPRESSURE: 4454400 -348.428 70.7301 -66.4252 16.824 163.976 -133.432 -83.0466 -22.6071 29.8706 PRESSAVG: 4454400 -86.3607 -34.5998 6.02705 -34.5998 64.9667 -5.76445 6.02703 -5.76437 10.7595 GPRESSAVG: 4454400 -85.8812 -34.8662 6.67598 -35.3438 65.1883 -3.54628 6.33421 -3.79166 10.6411 TIMING: 4454400 CPU: 13913.4, 0.00310413/step Wall: 13913.4, 0.00310413/step, 0.470449 hours remaining, 235.812500 MB of memory in use. ENERGY: 4454400 4037.8915 20559.9075 14420.2331 251.9559 -203042.3754 2450.7924 0.0000 0.0000 52319.2938 -109002.3011 300.6797 -161321.5950 -108647.8793 299.8029 -77.9040 -51.5270 761651.4405 -3.5449 -3.3506 PRESSURE: 4454600 361.056 -64.0002 7.68072 -63.9998 37.5852 83.3043 7.68087 83.3038 338.245 GPRESSURE: 4454600 470.654 -64.1624 95.7051 -39.8448 76.619 133.572 -91.4827 166.324 280.489 PRESSAVG: 4454600 31.6388 -20.3588 -1.07567 -20.3587 30.0976 10.1581 -1.07562 10.1581 18.3653 GPRESSAVG: 4454600 32.492 -16.9605 0.108588 -18.7447 29.4212 8.72611 -0.282939 11.5321 18.0145 TIMING: 4454600 CPU: 13914.1, 0.00310019/step Wall: 13914.1, 0.00310019/step, 0.469678 hours remaining, 235.812500 MB of memory in use. ENERGY: 4454600 3999.9901 20532.6159 14464.7754 244.2176 -203029.7943 2627.9427 0.0000 0.0000 52153.2514 -109007.0011 299.7255 -161160.2525 -108645.8144 299.9180 245.6287 275.9207 762027.1104 26.7006 26.6426 PRESSURE: 4454800 -265.807 93.2168 101.51 93.2174 -59.4405 48.9371 101.509 48.9369 -59.6687 GPRESSURE: 4454800 -242.656 51.5871 85.5701 5.37105 -39.8169 28.0519 68.7347 106.644 -11.3656 PRESSAVG: 4454800 11.2196 1.33318 22.4869 1.33322 16.485 27.7244 22.4868 27.7243 -28.3703 GPRESSAVG: 4454800 10.1341 -1.88181 20.4384 0.658526 16.6845 26.9121 21.0503 24.8076 -28.2605 TIMING: 4454800 CPU: 13914.7, 0.0031049/step Wall: 13914.7, 0.0031049/step, 0.470219 hours remaining, 235.812500 MB of memory in use. ENERGY: 4454800 3982.9833 20579.5256 14425.9933 255.8045 -202973.3421 2494.9758 0.0000 0.0000 51997.8731 -109236.1864 298.8325 -161234.0596 -108870.6343 299.7164 -128.3055 -97.9461 761783.4983 -0.2219 -0.4806 PRESSURE: 4455000 61.9132 -93.3976 -122.583 -93.3969 -151.816 162.724 -122.583 162.725 -430.225 GPRESSURE: 4455000 154.026 -139.686 -137.782 24.6932 -215.602 201.435 -123.231 253.622 -379.518 PRESSAVG: 4455000 2.99548 17.0112 -1.9997 17.0112 10.0968 -16.7565 -1.99969 -16.7564 19.7373 GPRESSAVG: 4455000 3.84419 18.2782 -1.25125 16.8559 9.59729 -15.684 -1.79316 -14.2684 19.6821 TIMING: 4455000 CPU: 13915.3, 0.003084/step Wall: 13915.3, 0.003084/step, 0.466884 hours remaining, 235.812500 MB of memory in use. ENERGY: 4455000 3975.3628 20546.9910 14417.8409 230.1216 -202800.5903 2462.8881 0.0000 0.0000 51755.1251 -109412.2608 297.4374 -161167.3858 -109045.6809 299.2603 -173.3758 -147.0314 764332.5273 10.9432 11.0412 PRESSURE: 4455200 -34.2117 -372.322 -60.2199 -372.321 114.674 119.17 -60.2194 119.17 -338.462 GPRESSURE: 4455200 33.3264 -205.247 -123.828 -415.289 97.2019 91.3618 -26.08 22.5313 -316.272 PRESSAVG: 4455200 -26.1536 6.76484 -44.679 6.76485 4.92725 18.8964 -44.679 18.8964 18.1147 GPRESSAVG: 4455200 -25.3282 5.03402 -45.6956 9.11728 5.19416 19.02 -43.7022 18.1007 16.8993 TIMING: 4455200 CPU: 13915.9, 0.00310274/step Wall: 13915.9, 0.00310274/step, 0.469548 hours remaining, 235.812500 MB of memory in use. ENERGY: 4455200 4021.7404 20620.1019 14389.1949 245.9054 -203239.6829 2641.8980 0.0000 0.0000 51961.5746 -109359.2676 298.6239 -161320.8422 -109004.4404 298.7168 -85.9999 -61.9144 761683.9223 -1.0372 -1.0783 PRESSURE: 4455400 10.7125 86.3775 -93.9402 86.3778 -426.292 16.7333 -93.9397 16.7333 -3.19318 GPRESSURE: 4455400 -11.9263 10.365 -90.3214 96.351 -395.817 18.0965 -12.4773 -96.9159 95.1432 PRESSAVG: 4455400 -17.0822 -51.4926 -19.5108 -51.4926 29.4592 38.0729 -19.5108 38.0729 11.8904 GPRESSAVG: 4455400 -18.2268 -49.1976 -17.6805 -52.8804 28.9557 40.1089 -19.9003 34.0378 13.7694 TIMING: 4455400 CPU: 13916.5, 0.00311172/step Wall: 13916.5, 0.00311172/step, 0.470735 hours remaining, 235.812500 MB of memory in use. ENERGY: 4455400 3963.7162 20513.6015 14485.9242 249.7941 -203133.4210 2508.6384 0.0000 0.0000 52014.2087 -109397.5379 298.9264 -161411.7466 -109036.2716 298.7625 -139.5910 -104.2000 761112.6655 8.0891 8.1661 PRESSURE: 4455600 -279.535 -150.152 218.546 -150.151 222.473 -167.499 218.546 -167.499 -164.242 GPRESSURE: 4455600 -125.901 -195.427 149.643 -94.7372 107.053 -145.238 209.373 -144.99 -115.04 PRESSAVG: 4455600 -11.424 -14.8216 10.3998 -14.8216 -22.4143 11.0675 10.3998 11.0675 2.24399 GPRESSAVG: 4455600 -11.9542 -17.8207 9.29476 -14.236 -21.3339 7.79322 11.8083 15.3331 1.45904 TIMING: 4455600 CPU: 13917.2, 0.00310377/step Wall: 13917.2, 0.00310377/step, 0.469358 hours remaining, 235.812500 MB of memory in use. ENERGY: 4455600 3933.4602 20620.3393 14393.9364 238.5452 -203316.2009 2590.9159 0.0000 0.0000 52090.3035 -109448.7005 299.3637 -161539.0039 -109079.2738 298.9021 -73.7683 -44.6295 762908.4223 -10.5314 -10.6097 PRESSURE: 4455800 31.2166 -10.4741 -103.07 -10.4744 -71.5337 117.075 -103.07 117.076 358.99 GPRESSURE: 4455800 27.4315 -47.9283 -69.2758 -22.968 51.2471 185.608 -88.4008 81.7212 337.472 PRESSAVG: 4455800 97.1177 -58.2761 -36.8383 -58.2762 -56.6744 4.17389 -36.8383 4.17395 11.9542 GPRESSAVG: 4455800 97.6629 -53.2009 -36.5406 -62.8079 -56.5597 4.71331 -37.8928 3.02763 11.3652 TIMING: 4455800 CPU: 13917.8, 0.00312523/step Wall: 13917.8, 0.00312523/step, 0.47243 hours remaining, 235.812500 MB of memory in use. ENERGY: 4455800 3968.5263 20561.4276 14467.6169 247.6044 -203636.0691 2776.3719 0.0000 0.0000 52278.3125 -109336.2094 300.4442 -161614.5219 -108985.6231 299.1931 106.2244 138.7168 761788.8413 17.4658 17.4895 PRESSURE: 4456000 -362.562 -83.5233 -6.26825 -83.5247 -336.914 -168.063 -6.2678 -168.063 -135.275 GPRESSURE: 4456000 -334.474 -115.402 -26.7458 -124.491 -246.975 -160.58 -13.0227 -116.416 -184.922 PRESSAVG: 4456000 29.0633 -52.5926 -8.10525 -52.5926 -65.0801 -29.6724 -8.10524 -29.6724 -8.89803 GPRESSAVG: 4456000 28.7311 -55.4487 -6.87428 -50.0747 -64.9444 -29.2223 -7.2942 -31.4261 -8.87174 TIMING: 4456000 CPU: 13918.4, 0.00311661/step Wall: 13918.4, 0.00311661/step, 0.470954 hours remaining, 235.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4456000 4071.7126 20544.1560 14460.3639 238.3811 -202898.6804 2189.6535 0.0000 0.0000 52044.9994 -109349.4138 299.1033 -161394.4132 -108986.2150 298.5009 -278.2504 -255.4573 761438.9918 -14.9716 -15.0284 PRESSURE: 4456200 -50.5724 -59.686 -233.716 -59.6862 -51.0314 -5.67081 -233.716 -5.67084 485.413 GPRESSURE: 4456200 -48.9482 -71.5008 -251.392 -45.3625 17.6547 1.2385 -71.0804 36.4053 510.965 PRESSAVG: 4456200 37.929 -68.3063 20.022 -68.3063 6.75278 5.13556 20.022 5.13557 5.06173 GPRESSAVG: 4456200 37.0636 -67.7114 18.0322 -66.8959 6.80079 3.99724 20.7762 6.83822 5.67941 TIMING: 4456200 CPU: 13919, 0.00311418/step Wall: 13919, 0.00311418/step, 0.470414 hours remaining, 235.812500 MB of memory in use. ENERGY: 4456200 3996.7742 20613.6858 14506.3743 253.9034 -202789.6676 2094.6496 0.0000 0.0000 51984.3305 -109339.9498 298.7547 -161324.2802 -108972.4994 299.4474 127.9363 159.8903 761030.3347 16.5812 16.5146 LDB: ============= START OF LOAD BALANCING ============== 13931.5 LDB: ============== END OF LOAD BALANCING =============== 13931.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13931.5 LDB: ============= START OF LOAD BALANCING ============== 13931.8 LDB: Largest compute 7037 load 0.031566 is 16.2% of average load 0.195288 LDB: Average compute 0.004399 is 2.3% of average load 0.195288 LDB: TIME 13931.8 LOAD: AVG 0.195288 MAX 0.216098 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.672 MB LDB: TIME 13931.8 LOAD: AVG 0.195288 MAX 0.216098 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.875 MB LDB: TIME 13931.8 LOAD: AVG 0.195288 MAX 0.216098 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.875 MB LDB: ============== END OF LOAD BALANCING =============== 13931.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13931.8 PRESSURE: 4456400 -108.011 -318.16 -144.55 -318.16 -156.1 281.729 -144.55 281.731 317.762 GPRESSURE: 4456400 -2.38861 -279.671 -73.146 -245.603 -154.183 160.347 -254.796 147.936 281.547 PRESSAVG: 4456400 7.65532 -43.5347 -14.0354 -43.5347 21.7121 35.3704 -14.0354 35.3703 17.8032 GPRESSAVG: 4456400 9.73775 -41.9418 -13.849 -44.6389 20.1782 36.0139 -13.2753 36.2759 17.3919 TIMING: 4456400 CPU: 13919.7, 0.00319181/step Wall: 13919.7, 0.00319181/step, 0.481963 hours remaining, 234.964844 MB of memory in use. ENERGY: 4456400 4004.4910 20497.0977 14412.5378 232.0876 -202914.1960 2302.8471 0.0000 0.0000 51977.6366 -109487.4983 298.7162 -161465.1349 -109132.3565 299.2627 17.8837 41.6582 762228.9414 15.7236 15.7693 PRESSURE: 4456600 69.2579 -23.3208 28.3867 -23.3209 -33.4311 297.977 28.3864 297.976 -73.6288 GPRESSURE: 4456600 108.145 22.7212 47.1896 -38.5188 -34.9429 234.094 123.434 308.186 -14.543 PRESSAVG: 4456600 -27.0453 -50.6662 -32.5575 -50.6662 18.9081 18.6038 -32.5575 18.6039 -8.62343 GPRESSAVG: 4456600 -27.2799 -52.731 -32.9376 -48.89 19.5058 18.9211 -36.1762 17.7622 -8.68536 TIMING: 4456600 CPU: 13920.3, 0.00311691/step Wall: 13920.3, 0.00311691/step, 0.47048 hours remaining, 235.019531 MB of memory in use. ENERGY: 4456600 4022.6070 20388.9837 14408.7258 257.0707 -203092.4155 2486.1261 0.0000 0.0000 52000.7493 -109528.1529 298.8490 -161528.9021 -109169.7232 298.6356 -12.6007 19.5530 761625.6985 -5.5869 -5.4865 PRESSURE: 4456800 -198.386 148.818 -312.846 148.818 -16.4375 -119.027 -312.847 -119.027 135.521 GPRESSURE: 4456800 -72.4453 243.693 -363.791 114.868 -28.755 -101.06 -179.503 -135.833 106.135 PRESSAVG: 4456800 -52.5993 -30.2911 -65.0185 -30.291 82.9342 -40.7297 -65.0184 -40.7297 26.4614 GPRESSAVG: 4456800 -52.6876 -29.2405 -65.0706 -31.4586 83.4412 -42.6493 -61.1347 -39.1685 26.6852 TIMING: 4456800 CPU: 13920.9, 0.00310192/step Wall: 13920.9, 0.00310192/step, 0.468045 hours remaining, 235.101562 MB of memory in use. ENERGY: 4456800 3964.9631 20435.8595 14454.6732 246.0479 -203195.3249 2423.8786 0.0000 0.0000 52161.8148 -109508.0878 299.7747 -161669.9026 -109138.7504 298.8646 -26.4343 1.6449 759535.7208 18.9321 19.1463 PRESSURE: 4457000 152.546 149.004 43.5613 149.005 17.862 -22.7442 43.5609 -22.7438 138.534 GPRESSURE: 4457000 185.007 116.576 60.3636 169.209 46.1456 62.928 -37.1663 52.5601 173.13 PRESSAVG: 4457000 -35.6305 14.3794 -44.2767 14.3794 14.2201 -15.0476 -44.2767 -15.0477 -5.69623 GPRESSAVG: 4457000 -36.0224 16.1657 -43.693 13.4935 14.2278 -12.6042 -48.1046 -18.667 -5.53015 TIMING: 4457000 CPU: 13921.5, 0.00309092/step Wall: 13921.5, 0.00309092/step, 0.466214 hours remaining, 235.101562 MB of memory in use. ENERGY: 4457000 3990.1042 20308.1510 14442.5079 252.9257 -203143.0519 2590.0558 0.0000 0.0000 52060.6471 -109498.6603 299.1933 -161559.3074 -109130.3109 299.2596 102.9809 134.7608 759839.0515 -9.0355 -9.1083 PRESSURE: 4457200 160.117 80.3663 92.9235 80.3653 -163.94 -30.9448 92.923 -30.9442 7.30389 GPRESSURE: 4457200 185.868 14.8291 107.338 76.3344 -121.318 -19.8925 153.827 -14.803 14.9582 PRESSAVG: 4457200 -46.9495 23.0996 46.2183 23.0996 -8.32513 -57.1163 46.2184 -57.1163 15.3417 GPRESSAVG: 4457200 -47.4289 22.538 46.1443 23.3458 -8.26176 -59.4504 46.6271 -52.5948 15.4257 TIMING: 4457200 CPU: 13922.2, 0.00309428/step Wall: 13922.2, 0.00309428/step, 0.466549 hours remaining, 235.101562 MB of memory in use. ENERGY: 4457200 4017.6854 20548.0528 14376.6995 237.3418 -203246.4184 2606.7939 0.0000 0.0000 51951.2684 -109508.5767 298.5647 -161459.8451 -109154.3306 298.5860 1.1603 26.5028 760918.4487 -13.3110 -13.4217 PRESSURE: 4457400 213.259 157.93 -2.05845 157.93 -270.918 70.8006 -2.05782 70.8006 -120.879 GPRESSURE: 4457400 135.797 37.8623 22.8242 76.6296 -167.646 17.4648 -63.3332 53.8166 -46.1619 PRESSAVG: 4457400 -34.741 -38.9492 -9.90567 -38.9491 45.6148 -42.336 -9.90564 -42.336 18.8204 GPRESSAVG: 4457400 -35.2227 -42.2352 -9.50406 -38.8597 46.4067 -41.9707 -8.83792 -45.3246 18.8719 TIMING: 4457400 CPU: 13922.8, 0.00311903/step Wall: 13922.8, 0.00311903/step, 0.470106 hours remaining, 235.101562 MB of memory in use. ENERGY: 4457400 3934.0874 20640.3653 14438.9387 241.6832 -203126.2264 2507.1827 0.0000 0.0000 51824.4936 -109539.4755 297.8361 -161363.9691 -109180.0493 299.1039 -59.5128 -26.0037 760764.8790 9.8981 10.0187 PRESSURE: 4457600 -93.3369 -242.143 48.9454 -242.143 -355.302 -128.217 48.9452 -128.216 -179.791 GPRESSURE: 4457600 -100.495 -134.683 85.0193 -236.463 -311.214 -54.606 36.5151 -90.2252 -142.868 PRESSAVG: 4457600 -9.49905 -11.7523 34.2379 -11.7523 12.4714 -14.7667 34.2379 -14.7667 37.5353 GPRESSAVG: 4457600 -9.3558 -8.85483 33.1316 -11.9339 11.9199 -12.9838 34.6893 -15.3064 38.2387 TIMING: 4457600 CPU: 13923.4, 0.00311237/step Wall: 13923.4, 0.00311237/step, 0.46893 hours remaining, 235.101562 MB of memory in use. ENERGY: 4457600 4012.0452 20414.4517 14431.3555 257.1039 -203130.0542 2433.1636 0.0000 0.0000 52147.8325 -109434.1018 299.6943 -161581.9343 -109067.8124 299.3915 -209.4766 -184.8591 762526.2658 13.5025 13.6009 PRESSURE: 4457800 -118.786 67.9311 244.914 67.9312 46.4188 135.429 244.912 135.429 -504.966 GPRESSURE: 4457800 -65.1075 -20.0186 212.688 7.90486 57.8876 189.195 271.559 91.4751 -496.661 PRESSAVG: 4457800 -10.3302 -4.60803 -5.71357 -4.60809 25.6214 32.8055 -5.71356 32.8055 -11.5851 GPRESSAVG: 4457800 -9.08195 -5.70466 -5.63238 -3.70098 25.3415 33.7696 -7.79229 33.2166 -12.8296 TIMING: 4457800 CPU: 13924, 0.00311347/step Wall: 13924, 0.00311347/step, 0.468923 hours remaining, 235.101562 MB of memory in use. ENERGY: 4457800 3995.7991 20562.3229 14331.5530 258.7693 -203403.1881 2781.4347 0.0000 0.0000 51900.9844 -109572.3248 298.2757 -161473.3091 -109212.1160 299.1992 -192.4445 -167.9602 761255.7067 1.2354 1.1433 PRESSURE: 4458000 -295.427 49.1426 30.7178 49.1414 104.107 143.097 30.7182 143.097 57.5329 GPRESSURE: 4458000 -169.224 66.4308 32.3448 -21.7021 68.4081 230.161 22.0607 104.469 58.956 PRESSAVG: 4458000 -41.8314 -18.7082 -8.33567 -18.7082 23.8426 -16.4945 -8.33565 -16.4945 -12.3427 GPRESSAVG: 4458000 -41.7544 -18.8724 -8.44093 -19.5937 23.9519 -16.9177 -6.59798 -16.3948 -12.5172 TIMING: 4458000 CPU: 13924.6, 0.00311371/step Wall: 13924.6, 0.00311371/step, 0.468787 hours remaining, 235.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4458000 3952.0484 20413.7570 14443.9336 259.3073 -203394.9861 2712.2234 0.0000 0.0000 51919.2085 -109694.5078 298.3804 -161613.7163 -109340.6278 298.3405 -44.5958 -13.9531 761424.7770 -10.1105 -10.1066 PRESSURE: 4458200 -152.61 158.54 -122.288 158.541 -124.154 -39.405 -122.289 -39.404 -75.557 GPRESSURE: 4458200 -146.473 108.027 -22.6537 185.069 -41.3257 -48.7712 -95.5955 10.3195 -72.6078 PRESSAVG: 4458200 46.5878 -11.471 -31.3636 -11.471 -7.13003 -27.271 -31.3636 -27.2711 -10.6134 GPRESSAVG: 4458200 45.0118 -14.2462 -29.1163 -9.50816 -6.37653 -27.5674 -32.2663 -26.9329 -10.0363 TIMING: 4458200 CPU: 13925.3, 0.00309595/step Wall: 13925.3, 0.00309595/step, 0.465941 hours remaining, 235.101562 MB of memory in use. ENERGY: 4458200 4022.0739 20462.7056 14442.2562 248.1978 -203424.6496 2632.1618 0.0000 0.0000 51987.0710 -109630.1832 298.7704 -161617.2542 -109280.1177 298.6978 -117.4404 -86.8023 762049.1425 9.6148 9.5330 PRESSURE: 4458400 133.129 -47.8846 -68.0038 -47.8848 179.877 -60.4304 -68.0044 -60.43 -166.3 GPRESSURE: 4458400 148.964 -57.0746 -90.8534 -1.96347 193.848 76.4472 87.4858 -117.497 -113.39 PRESSAVG: 4458400 -51.102 44.8846 28.4903 44.8846 58.7391 28.3699 28.4902 28.3698 18.5309 GPRESSAVG: 4458400 -51.0475 46.0326 26.7131 42.1644 58.2824 28.5027 31.1635 27.7975 18.7476 TIMING: 4458400 CPU: 13925.9, 0.00311054/step Wall: 13925.9, 0.00311054/step, 0.467964 hours remaining, 235.101562 MB of memory in use. ENERGY: 4458400 4030.0937 20588.0188 14439.1515 256.5128 -203449.7812 2764.1771 0.0000 0.0000 51915.7705 -109456.0568 298.3606 -161371.8272 -109091.1766 299.2527 48.9019 76.4740 762040.1642 8.7227 8.6609 PRESSURE: 4458600 -175.176 -199.751 228.445 -199.75 -123.395 26.2977 228.446 26.2979 -251.333 GPRESSURE: 4458600 -113.34 -125.212 273.923 -184.063 -29.9222 54.2145 143.292 -48.6806 -320.396 PRESSAVG: 4458600 -46.453 -47.3913 -13.0047 -47.3912 59.774 14.2369 -13.0047 14.2369 12.1045 GPRESSAVG: 4458600 -45.7507 -47.0185 -14.6099 -46.6567 59.2017 14.7997 -13.3208 13.5443 11.7959 TIMING: 4458600 CPU: 13926.5, 0.0031131/step Wall: 13926.5, 0.0031131/step, 0.468176 hours remaining, 235.101562 MB of memory in use. ENERGY: 4458600 4020.5031 20384.2064 14430.5170 241.1615 -203409.3459 2665.2276 0.0000 0.0000 52110.6635 -109557.0668 299.4807 -161667.7303 -109191.7308 298.9317 -183.3015 -154.5528 761815.7544 8.4751 8.4156 PRESSURE: 4458800 -82.6428 83.5422 -6.38453 83.5418 -222.656 117.602 -6.38515 117.602 -98.0429 GPRESSURE: 4458800 -91.7156 64.0725 82.7154 122.952 -174.141 110.596 -55.7394 247.726 -76.6339 PRESSAVG: 4458800 -64.7292 -73.8666 33.8601 -73.8665 54.5838 27.9248 33.8601 27.9248 10.0011 GPRESSAVG: 4458800 -66.4193 -73.8924 35.8384 -73.311 54.9753 26.3488 32.0937 31.3878 10.6497 TIMING: 4458800 CPU: 13927.1, 0.00311739/step Wall: 13927.1, 0.00311739/step, 0.468648 hours remaining, 235.101562 MB of memory in use. ENERGY: 4458800 4013.4499 20410.7414 14488.5016 210.4895 -203472.9986 2783.8944 0.0000 0.0000 52208.0910 -109357.8308 300.0406 -161565.9218 -108991.2419 299.5535 -134.4472 -114.1633 762069.0124 -0.0481 -0.2647 PRESSURE: 4459000 -253.039 -102.112 226.929 -102.111 -402.678 -183.773 226.929 -183.772 -393.937 GPRESSURE: 4459000 -114.277 -105.08 181.5 -70.2483 -477.455 -247.963 254.606 -114.826 -376.973 PRESSAVG: 4459000 -29.6275 -51.4652 78.3402 -51.4652 16.8814 -0.777284 78.3402 -0.777176 -2.42031 GPRESSAVG: 4459000 -28.8805 -50.1493 77.8404 -53.7871 17.3349 -1.15386 76.5565 -3.32604 -3.30981 TIMING: 4459000 CPU: 13927.8, 0.00310892/step Wall: 13927.8, 0.00310892/step, 0.467201 hours remaining, 235.101562 MB of memory in use. ENERGY: 4459000 4003.2619 20503.3428 14456.2138 241.9848 -203010.9254 2349.8221 0.0000 0.0000 52139.6146 -109316.6854 299.6471 -161456.3000 -108946.4611 299.9350 -349.8846 -322.9015 762408.3105 -5.0555 -4.9518 PRESSURE: 4459200 -249.243 163.272 138.557 163.272 -120.905 -78.0977 138.558 -78.0969 -117.988 GPRESSURE: 4459200 -195.727 93.2673 254.823 155.172 -135.457 -130.879 151.157 -25.3478 -74.8659 PRESSAVG: 4459200 -20.1244 -35.5968 18.5262 -35.5968 24.5908 -5.2274 18.5262 -5.22737 -5.70358 GPRESSAVG: 4459200 -19.4084 -34.4725 18.1885 -34.706 22.9034 -4.37042 19.7565 -4.95462 -5.2939 TIMING: 4459200 CPU: 13928.4, 0.0030934/step Wall: 13928.4, 0.0030934/step, 0.464697 hours remaining, 235.101562 MB of memory in use. ENERGY: 4459200 4023.2531 20675.6971 14520.9780 226.0491 -203195.3811 2736.4904 0.0000 0.0000 51902.4641 -109110.4494 298.2842 -161012.9135 -108745.5501 299.1847 -162.7120 -135.3498 762716.3539 -0.4124 -0.5996 PRESSURE: 4459400 380.342 -58.8369 164.88 -58.8372 193.207 -76.7568 164.88 -76.7568 231.775 GPRESSURE: 4459400 367.904 -4.5005 103.914 74.7441 253.526 -117.972 -53.9773 44.8823 273.773 PRESSAVG: 4459400 -40.4249 -1.57454 48.6424 -1.57451 30.2085 -16.9853 48.6424 -16.9852 -2.82115 GPRESSAVG: 4459400 -40.5223 -2.38198 47.9235 -0.717277 31.2998 -15.7707 47.3244 -18.0002 -3.31734 TIMING: 4459400 CPU: 13929, 0.0030989/step Wall: 13929, 0.0030989/step, 0.465352 hours remaining, 235.101562 MB of memory in use. ENERGY: 4459400 3948.1587 20622.3076 14384.7022 247.9423 -202877.1630 2528.0689 0.0000 0.0000 52196.8966 -108949.0868 299.9763 -161145.9834 -108591.1160 300.0739 268.4411 298.4010 761995.4181 -4.3458 -4.1800 PRESSURE: 4459600 36.8689 -62.3611 150.929 -62.3608 138.141 -0.543959 150.928 -0.544032 -57.1883 GPRESSURE: 4459600 69.6335 -33.238 245.974 -66.0682 115.017 -112.884 81.7585 16.0094 32.2776 PRESSAVG: 4459600 -55.2537 -10.9054 -31.1157 -10.9054 56.8445 14.8444 -31.1157 14.8444 -6.30266 GPRESSAVG: 4459600 -56.3543 -10.1208 -31.3935 -9.97913 56.3535 12.9823 -30.0779 14.4902 -4.20998 TIMING: 4459600 CPU: 13929.6, 0.00309585/step Wall: 13929.6, 0.00309585/step, 0.464722 hours remaining, 235.101562 MB of memory in use. ENERGY: 4459600 4033.5733 20462.1530 14399.6961 234.8271 -202972.1485 2554.9222 0.0000 0.0000 52136.3195 -109150.6574 299.6281 -161286.9769 -108793.8553 299.1507 39.2739 72.3095 763331.1337 -1.5706 -1.4036 PRESSURE: 4459800 -101.306 -20.3299 -171.024 -20.3302 19.2785 -32.6612 -171.024 -32.66 78.8165 GPRESSURE: 4459800 -17.9907 -63.2132 -217.147 -104.566 34.3002 30.4452 -103.564 -75.4472 54.1156 PRESSAVG: 4459800 -20.1699 -65.7263 33.7111 -65.7263 68.8906 11.0862 33.7111 11.0861 0.470931 GPRESSAVG: 4459800 -18.9516 -67.6554 34.9772 -66.2657 69.113 12.3295 33.4009 13.3795 -1.12616 TIMING: 4459800 CPU: 13930.2, 0.00310388/step Wall: 13930.2, 0.00310388/step, 0.465754 hours remaining, 235.101562 MB of memory in use. ENERGY: 4459800 3984.5350 20407.8413 14485.5215 237.4403 -203208.6763 2719.6431 0.0000 0.0000 52103.3335 -109270.3615 299.4386 -161373.6950 -108917.9896 299.8548 -1.0703 23.4750 760712.5906 16.3972 16.3451 PRESSURE: 4460000 -241.948 -57.7929 223.926 -57.7924 -50.9695 21.9921 223.926 21.9916 -222.654 GPRESSURE: 4460000 -213.294 -153.409 290.455 10.5225 12.5667 -8.13327 148.814 -37.7603 -221.222 PRESSAVG: 4460000 -22.4606 -12.0718 37.3367 -12.0717 -21.1462 11.7852 37.3367 11.7853 -14.1909 GPRESSAVG: 4460000 -23.6775 -9.77911 36.6728 -12.9625 -20.4852 10.3062 38.1188 9.63241 -13.673 TIMING: 4460000 CPU: 13930.9, 0.00310836/step Wall: 13930.9, 0.00310836/step, 0.466254 hours remaining, 235.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4460000 3981.2862 20608.9541 14467.4897 254.6976 -203008.0558 2313.0640 0.0000 0.0000 51984.9481 -109397.6161 298.7582 -161382.5642 -109042.6216 299.5850 -171.8574 -140.6497 760497.2448 -19.2659 -19.2785 PRESSURE: 4460200 -10.1829 95.8153 -79.0957 95.8149 -237.243 -9.08551 -79.0957 -9.08563 347.946 GPRESSURE: 4460200 37.4727 139.764 -26.9384 73.2926 -180.769 5.84932 45.253 -6.71445 309.48 PRESSAVG: 4460200 -5.69083 -15.9079 11.8906 -15.9079 27.8173 40.3292 11.8907 40.3293 -17.86 GPRESSAVG: 4460200 -5.99773 -17.7944 12.2939 -16.3634 28.2846 40.9285 13.0589 40.9628 -18.2548 TIMING: 4460200 CPU: 13931.5, 0.00310456/step Wall: 13931.5, 0.00310455/step, 0.465511 hours remaining, 235.101562 MB of memory in use. ENERGY: 4460200 3960.0749 20616.9824 14374.1251 264.8950 -203079.6564 2379.4181 0.0000 0.0000 52010.2394 -109473.9216 298.9036 -161484.1610 -109115.1961 299.4168 33.5068 55.3947 763127.6807 1.4222 1.3440 LDB: ============= START OF LOAD BALANCING ============== 13944 LDB: ============== END OF LOAD BALANCING =============== 13944 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13944 LDB: ============= START OF LOAD BALANCING ============== 13944.3 LDB: Largest compute 7027 load 0.031353 is 16.1% of average load 0.195295 LDB: Average compute 0.004414 is 2.3% of average load 0.195295 LDB: TIME 13944.3 LOAD: AVG 0.195295 MAX 0.217095 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.898 MB LDB: TIME 13944.3 LOAD: AVG 0.195295 MAX 0.217095 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.992 MB LDB: TIME 13944.3 LOAD: AVG 0.195295 MAX 0.217095 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.992 MB LDB: ============== END OF LOAD BALANCING =============== 13944.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13944.3 PRESSURE: 4460400 -369.883 -30.9371 -176.727 -30.937 -36.4342 -12.0548 -176.728 -12.0546 -310.507 GPRESSURE: 4460400 -355.052 -22.9516 -173.139 35.4362 39.7347 -0.322713 -153.913 -26.6486 -322.635 PRESSAVG: 4460400 -68.4365 -47.6383 -23.3531 -47.6383 -4.61876 -5.24463 -23.353 -5.24467 13.2295 GPRESSAVG: 4460400 -67.1222 -48.5736 -21.4363 -44.9509 -6.07202 -4.75718 -26.3404 -5.45156 13.1668 TIMING: 4460400 CPU: 13932.1, 0.00317835/step Wall: 13932.1, 0.00317835/step, 0.4764 hours remaining, 234.261719 MB of memory in use. ENERGY: 4460400 3972.1199 20335.0736 14391.1625 237.7414 -202878.3994 2407.8923 0.0000 0.0000 52016.6728 -109517.7369 298.9405 -161534.4097 -109153.1005 299.1642 -238.9414 -212.6511 761397.6782 -19.9419 -20.0092 PRESSURE: 4460600 -164.219 31.8463 -172.071 31.8465 -337.068 -182.359 -172.071 -182.359 -199.733 GPRESSURE: 4460600 -190.28 21.6093 -139.434 -66.38 -245.926 -168.394 -24.8739 -183.074 -182.156 PRESSAVG: 4460600 -65.976 -29.3151 22.3097 -29.3151 59.6104 31.9555 22.3098 31.9555 13.6457 GPRESSAVG: 4460600 -67.1958 -25.7844 20.5233 -33.7148 60.3594 31.1774 23.6508 33.5507 14.1547 TIMING: 4460600 CPU: 13932.7, 0.00310227/step Wall: 13932.7, 0.00310227/step, 0.464824 hours remaining, 234.261719 MB of memory in use. ENERGY: 4460600 4034.3358 20499.4749 14452.8769 266.1560 -203151.0701 2612.5013 0.0000 0.0000 51764.5343 -109521.1909 297.4915 -161285.7253 -109167.4992 298.4771 -233.6733 -206.1208 762794.8553 2.4267 2.4394 PRESSURE: 4460800 135.405 -49.9995 -18.2545 -49.999 172.949 225.054 -18.254 225.054 64.8175 GPRESSURE: 4460800 186.931 -46.6142 0.566473 -26.7949 82.9737 282.21 -79.6263 145.122 190.384 PRESSAVG: 4460800 -42.5636 -68.3899 23.0266 -68.3899 34.1804 42.7243 23.0266 42.7243 -18.8795 GPRESSAVG: 4460800 -43.3918 -70.0287 22.4495 -66.1901 33.7613 45.1495 23.5049 41.1153 -18.809 TIMING: 4460800 CPU: 13933.4, 0.00311918/step Wall: 13933.4, 0.00311918/step, 0.467184 hours remaining, 234.261719 MB of memory in use. ENERGY: 4460800 3977.1875 20385.2874 14437.3173 255.9517 -203262.7794 2820.2955 0.0000 0.0000 51869.5779 -109517.1620 298.0952 -161386.7399 -109153.0912 298.6964 124.3906 153.4294 763007.8532 -9.0875 -9.4798 PRESSURE: 4461000 -316.325 -29.0745 136.073 -29.0753 -81.3176 104.972 136.072 104.973 -89.8362 GPRESSURE: 4461000 -253.025 -46.6025 164.913 9.00064 -48.84 77.2439 170.456 61.5585 -102.915 PRESSAVG: 4461000 -19.393 -10.5925 45.3381 -10.5924 30.6274 10.4233 45.3381 10.4233 -26.4305 GPRESSAVG: 4461000 -18.3214 -12.6879 45.5157 -12.0333 29.9826 8.2671 46.3052 10.895 -26.8938 TIMING: 4461000 CPU: 13934, 0.00310412/step Wall: 13934, 0.00310412/step, 0.464755 hours remaining, 234.261719 MB of memory in use. ENERGY: 4461000 3986.6020 20388.8012 14383.8758 242.4780 -203027.6434 2395.6710 0.0000 0.0000 52052.8788 -109577.3367 299.1486 -161630.2154 -109211.1232 298.5579 -162.4928 -134.9268 762266.7906 -5.0654 -5.0775 PRESSURE: 4461200 -169.592 90.527 -130.868 90.5265 91.83 32.4244 -130.869 32.423 -52.4262 GPRESSURE: 4461200 -196.659 -3.05872 -157.514 34.2127 156.326 45.8635 -210.276 52.6972 -1.38389 PRESSAVG: 4461200 -10.4137 29.7584 57.3396 29.7584 27.5037 17.1039 57.3396 17.1038 -8.84366 GPRESSAVG: 4461200 -10.4284 28.1001 57.1581 31.9025 26.9267 16.5196 56.3225 16.4435 -7.96582 TIMING: 4461200 CPU: 13934.6, 0.003104/step Wall: 13934.6, 0.003104/step, 0.464565 hours remaining, 234.261719 MB of memory in use. ENERGY: 4461200 3916.6589 20370.6791 14460.9401 235.8197 -202981.0328 2344.8383 0.0000 0.0000 52132.7471 -109519.3497 299.6076 -161652.0967 -109156.9201 298.5731 -43.3960 -13.9055 761198.9680 2.7488 2.8442 PRESSURE: 4461400 -312.57 -297.752 152.989 -297.752 -134.921 -80.1809 152.989 -80.1806 -263.97 GPRESSURE: 4461400 -193.085 -215.454 61.5285 -309.572 -219.697 -38.2805 233.064 -103.295 -207.771 PRESSAVG: 4461400 -28.2806 -16.3549 47.203 -16.3548 30.1208 -23.2631 47.2031 -23.2631 12.0781 GPRESSAVG: 4461400 -28.5054 -14.9766 46.8533 -16.7849 31.2652 -23.1338 48.5125 -23.4498 11.3712 TIMING: 4461400 CPU: 13935.2, 0.00310789/step Wall: 13935.2, 0.00310789/step, 0.464975 hours remaining, 234.261719 MB of memory in use. ENERGY: 4461400 4018.1827 20433.0281 14516.1600 277.1044 -203183.8903 2309.4525 0.0000 0.0000 52196.5334 -109433.4292 299.9742 -161629.9626 -109062.3810 299.0256 -237.1534 -206.8510 762432.7119 4.6394 4.7103 PRESSURE: 4461600 147.223 -213.429 -14.8515 -213.429 -214.486 -46.1419 -14.852 -46.1415 82.2796 GPRESSURE: 4461600 203.426 -203.725 -137.625 -92.1454 -182.194 -68.7261 36.0777 -91.661 69.6015 PRESSAVG: 4461600 -43.6818 -50.768 44.9319 -50.768 -20.9257 4.14277 44.932 4.1428 -16.8223 GPRESSAVG: 4461600 -43.4107 -51.7068 45.5263 -49.4962 -21.981 4.41488 44.1638 3.41483 -15.8687 TIMING: 4461600 CPU: 13935.8, 0.00311381/step Wall: 13935.8, 0.00311382/step, 0.465688 hours remaining, 234.464844 MB of memory in use. ENERGY: 4461600 4035.2548 20564.2192 14507.1940 251.0443 -203290.8832 2684.6024 0.0000 0.0000 51932.2638 -109316.3047 298.4554 -161248.5685 -108958.5229 299.4504 5.0057 30.2781 761160.3857 -27.1432 -27.0868 PRESSURE: 4461800 -81.9845 200.05 -73.1149 200.051 16.5794 131.901 -73.1156 131.901 -151.654 GPRESSURE: 4461800 -76.6338 281.485 -35.5961 99.6837 66.022 85.8936 -32.016 76.3953 -119.893 PRESSAVG: 4461800 -15.1484 -36.131 71.4101 -36.131 19.6136 5.2455 71.4101 5.24547 -3.08066 GPRESSAVG: 4461800 -15.593 -32.9565 71.2351 -38.3056 20.7581 6.0759 70.4858 5.29251 -3.12811 TIMING: 4461800 CPU: 13936.5, 0.00309874/step Wall: 13936.5, 0.00309874/step, 0.463262 hours remaining, 234.464844 MB of memory in use. ENERGY: 4461800 4056.3249 20468.9146 14461.0583 249.8212 -203445.6512 2569.5593 0.0000 0.0000 52315.7714 -109324.2015 300.6595 -161639.9729 -108958.9596 299.5159 -72.3532 -43.5017 760586.5992 0.4615 0.6790 PRESSURE: 4462000 -173.189 -70.8083 172.45 -70.808 -177.21 -104.731 172.449 -104.731 -221.996 GPRESSURE: 4462000 -106.76 118.508 145.693 -149.726 -219.206 -141.091 226.193 -46.6725 -154.18 PRESSAVG: 4462000 12.0418 -29.3528 18.0996 -29.3528 -35.6904 18.8341 18.0996 18.8341 20.2357 GPRESSAVG: 4462000 11.4911 -29.7863 16.2103 -28.7109 -35.0763 17.4435 20.316 20.8452 20.0479 TIMING: 4462000 CPU: 13937.1, 0.00308887/step Wall: 13937.1, 0.00308887/step, 0.461614 hours remaining, 234.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4462000 3988.1048 20465.0767 14554.0686 247.8011 -203635.9839 2613.3896 0.0000 0.0000 52279.7770 -109487.7661 300.4526 -161767.5431 -109128.7958 299.7660 -190.7985 -160.0483 761462.3413 -1.1377 -1.1791 PRESSURE: 4462200 -261.247 229.576 -78.9694 229.576 -127.128 98.7344 -78.9689 98.7341 -260.02 GPRESSURE: 4462200 -276.899 104.588 -161.795 175.756 -96.6784 137.295 -61.955 26.9481 -220.171 PRESSAVG: 4462200 -50.7433 -52.2422 10.7046 -52.2423 19.2687 6.9581 10.7047 6.95807 7.1752 GPRESSAVG: 4462200 -50.7466 -55.1624 9.56007 -51.9766 18.6173 8.77923 11.5532 7.78509 7.52546 TIMING: 4462200 CPU: 13937.7, 0.00309946/step Wall: 13937.7, 0.00309946/step, 0.463025 hours remaining, 234.464844 MB of memory in use. ENERGY: 4462200 3979.8698 20584.3640 14451.1617 243.6018 -203347.6696 2627.3587 0.0000 0.0000 52128.9337 -109332.3797 299.5857 -161461.3135 -108974.9829 299.0757 -216.1317 -197.9162 762736.7824 -8.0998 -8.2013 PRESSURE: 4462400 308.303 -142.159 -36.6486 -142.159 189.935 -124.474 -36.65 -124.475 -228.226 GPRESSURE: 4462400 302.543 -118.336 -69.5511 -170.569 183.505 -160.561 -30.2422 -142.625 -142.087 PRESSAVG: 4462400 -78.2563 -46.6736 27.3417 -46.6736 51.3971 -30.7636 27.3417 -30.7636 -19.6702 GPRESSAVG: 4462400 -77.8505 -44.2899 29.6801 -44.8472 51.6497 -31.8972 24.8144 -30.9333 -20.682 TIMING: 4462400 CPU: 13938.3, 0.00310219/step Wall: 13938.3, 0.00310219/step, 0.46326 hours remaining, 234.464844 MB of memory in use. ENERGY: 4462400 3976.7652 20605.5944 14441.9615 233.4021 -203158.7671 2647.7149 0.0000 0.0000 52084.7298 -109168.5993 299.3317 -161253.3291 -108809.3558 299.2289 90.0042 114.6537 761565.5511 -15.5098 -15.6276 PRESSURE: 4462600 -93.9737 -92.7858 -51.9679 -92.7858 -40.7782 -34.4238 -51.9684 -34.4233 -114.69 GPRESSURE: 4462600 -56.1568 -13.3663 18.668 -60.7128 -50.8996 7.51142 -34.8383 -2.52108 -58.9849 PRESSAVG: 4462600 -37.7273 -27.6278 29.2962 -27.6277 17.4919 -11.2458 29.2962 -11.2459 -27.1018 GPRESSAVG: 4462600 -37.1772 -28.0048 28.567 -28.4752 16.5945 -10.1506 29.9328 -11.8334 -26.6917 TIMING: 4462600 CPU: 13938.9, 0.00311495/step Wall: 13938.9, 0.00311495/step, 0.464993 hours remaining, 234.464844 MB of memory in use. ENERGY: 4462600 3978.4864 20538.5968 14546.1046 243.4880 -203236.5406 2784.8913 0.0000 0.0000 51797.0086 -109347.9649 297.6781 -161144.9735 -108999.7013 299.5543 -83.1471 -55.3471 763967.9496 -15.7791 -15.7581 PRESSURE: 4462800 180.874 5.11185 115.354 5.11248 360.417 -27.3783 115.354 -27.3774 -161.848 GPRESSURE: 4462800 90.7331 -20.8282 78.1249 61.3435 449.143 9.01544 130.119 -46.2481 -84.2148 PRESSAVG: 4462800 -47.7822 -21.2419 55.5895 -21.2418 60.9999 16.1943 55.5895 16.1943 0.0450832 GPRESSAVG: 4462800 -48.759 -22.042 53.113 -22.3538 62.7622 14.2643 57.6879 17.6029 -0.0407047 TIMING: 4462800 CPU: 13939.6, 0.00310518/step Wall: 13939.6, 0.00310517/step, 0.463361 hours remaining, 234.464844 MB of memory in use. ENERGY: 4462800 3942.4392 20390.2666 14342.9490 245.1520 -203138.9232 2720.0130 0.0000 0.0000 52085.1735 -109412.9299 299.3342 -161498.1033 -109038.4146 299.1490 126.4808 151.8870 763235.9233 4.4209 4.6542 PRESSURE: 4463000 -23.2079 -32.0444 77.3566 -32.0449 202.722 -108.208 77.3559 -108.207 411.262 GPRESSURE: 4463000 63.3759 -29.0691 99.3712 -23.2879 256.529 -108.597 29.0421 -20.6702 364.4 PRESSAVG: 4463000 -77.7493 6.36188 -60.1507 6.36174 51.4365 -12.8442 -60.1507 -12.8442 -1.09417 GPRESSAVG: 4463000 -77.0914 5.42428 -58.5432 6.99569 51.6076 -11.61 -62.0209 -14.023 -1.81129 TIMING: 4463000 CPU: 13940.2, 0.00309322/step Wall: 13940.2, 0.00309322/step, 0.461406 hours remaining, 234.464844 MB of memory in use. ENERGY: 4463000 3963.4140 20366.6325 14483.5438 240.1906 -203421.6215 2905.2514 0.0000 0.0000 52066.8210 -109395.7684 299.2287 -161462.5894 -109037.0390 299.0218 196.9254 228.1018 763665.9135 -9.1357 -9.0984 PRESSURE: 4463200 194.913 12.7755 219.646 12.7753 145.044 56.5099 219.645 56.5106 557.153 GPRESSURE: 4463200 226.81 -89.8349 232.642 31.4201 209.856 55.4381 212.212 35.7534 575.102 PRESSAVG: 4463200 -53.4579 -27.9224 38.1645 -27.9223 10.4953 -3.50624 38.1645 -3.50627 -10.0271 GPRESSAVG: 4463200 -52.5721 -27.4743 39.4407 -27.9653 8.9333 -4.8155 37.6264 -1.61775 -9.15729 TIMING: 4463200 CPU: 13940.8, 0.00309859/step Wall: 13940.8, 0.00309859/step, 0.462035 hours remaining, 234.464844 MB of memory in use. ENERGY: 4463200 3931.3842 20429.0170 14427.5829 241.1614 -203300.8977 2813.9026 0.0000 0.0000 52179.6820 -109278.1676 299.8773 -161457.8496 -108917.3366 299.1487 299.0366 337.2561 760978.1652 -17.6633 -17.5987 PRESSURE: 4463400 87.009 -175.312 125.617 -175.312 -10.5739 -171.973 125.617 -171.973 -191.302 GPRESSURE: 4463400 104.012 -307.296 73.324 -98.6519 14.0841 -285.167 259.695 -83.5254 -144.465 PRESSAVG: 4463400 -59.949 -8.17274 40.8827 -8.17268 24.9572 -17.0045 40.8827 -17.0045 -11.5271 GPRESSAVG: 4463400 -61.0665 -7.22733 39.9169 -8.71139 26.414 -14.4424 42.3922 -19.0977 -11.9356 TIMING: 4463400 CPU: 13941.4, 0.00310094/step Wall: 13941.4, 0.00310094/step, 0.462212 hours remaining, 234.453125 MB of memory in use. ENERGY: 4463400 3979.1462 20584.4816 14486.3593 250.5550 -203302.5883 2876.6131 0.0000 0.0000 51872.5901 -109252.8430 298.1125 -161125.4332 -108905.9980 299.1214 -38.2889 -8.7896 763066.5168 -15.5063 -15.5294 PRESSURE: 4463600 63.9579 -87.6042 -147.693 -87.604 -145.664 115.942 -147.693 115.942 182.415 GPRESSURE: 4463600 88.6276 -7.15395 -80.7422 -163.175 -129.621 78.9242 -202.019 166.242 203.75 PRESSAVG: 4463600 -22.4198 -57.5714 -5.33706 -57.5714 -3.66844 -71.1613 -5.33709 -71.1613 -9.97734 GPRESSAVG: 4463600 -21.3429 -55.2207 -3.89651 -57.896 -4.04909 -71.7768 -6.34283 -72.9942 -11.6066 TIMING: 4463600 CPU: 13942, 0.00310938/step Wall: 13942, 0.00310938/step, 0.463298 hours remaining, 234.453125 MB of memory in use. ENERGY: 4463600 3985.3822 20501.6147 14429.1327 242.4775 -203125.9642 2689.1521 0.0000 0.0000 52196.9826 -109081.2223 299.9768 -161278.2049 -108724.7104 299.2655 33.5697 54.2520 763312.0555 -12.0219 -12.3329 PRESSURE: 4463800 105.016 116.983 257.704 116.983 -84.6413 -17.0068 257.704 -17.0071 -416.523 GPRESSURE: 4463800 131.352 137.53 316.37 33.9207 -21.2102 19.9948 287.609 -2.5174 -432.02 PRESSAVG: 4463800 8.37431 -47.65 18.9831 -47.65 18.5201 15.3852 18.9831 15.3852 -12.5346 GPRESSAVG: 4463800 8.40878 -49.1719 18.3493 -48.2099 18.2535 15.0983 19.1038 16.1578 -12.2037 TIMING: 4463800 CPU: 13942.7, 0.00312135/step Wall: 13942.7, 0.00312135/step, 0.464908 hours remaining, 234.464844 MB of memory in use. ENERGY: 4463800 3999.4565 20605.6694 14454.6691 250.4017 -203149.6424 2529.9140 0.0000 0.0000 52050.8747 -109258.6569 299.1371 -161309.5316 -108900.0626 299.3221 -132.0496 -107.2927 762241.9033 4.7866 4.8195 PRESSURE: 4464000 115.75 -29.2654 6.18913 -29.2651 -31.7188 -18.0291 6.18844 -18.0288 39.1931 GPRESSURE: 4464000 138.954 3.39602 2.25289 -7.43372 0.0950813 -55.8016 30.4554 -41.9706 75.95 PRESSAVG: 4464000 33.7882 0.600803 60.7457 0.600936 -9.66142 -20.1486 60.7457 -20.1485 31.0036 GPRESSAVG: 4464000 34.5734 -1.01625 60.3954 1.5821 -12.6508 -20.1862 59.4475 -19.8052 33.1183 TIMING: 4464000 CPU: 13943.3, 0.00311321/step Wall: 13943.3, 0.00311321/step, 0.463523 hours remaining, 234.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4464000 3972.9639 20330.0965 14437.4452 234.2963 -203298.9686 2639.5685 0.0000 0.0000 52274.1173 -109410.4809 300.4201 -161684.5982 -109040.3202 298.8375 41.0747 71.6664 762021.0198 18.3768 18.3470 PRESSURE: 4464200 -170.585 -154.664 -181.617 -154.665 -262.408 91.0489 -181.618 91.0486 -173.611 GPRESSURE: 4464200 -190.432 -192.122 -205.982 -141.165 -160.46 47.2043 -145.587 67.4206 -169.419 PRESSAVG: 4464200 -62.2999 -36.4512 -32.8775 -36.4512 33.1799 -18.9916 -32.8775 -18.9916 -23.5731 GPRESSAVG: 4464200 -62.5541 -36.7158 -31.7204 -36.54 34.1188 -19.7507 -30.2898 -19.534 -24.3686 TIMING: 4464200 CPU: 13943.9, 0.00310812/step Wall: 13943.9, 0.00310812/step, 0.462592 hours remaining, 234.464844 MB of memory in use. ENERGY: 4464200 3985.1559 20361.5337 14514.8136 238.2762 -203083.2105 2482.3674 0.0000 0.0000 52123.1801 -109377.8835 299.5526 -161501.0636 -109013.0338 298.9395 -202.2013 -173.4370 762771.9161 -17.5644 -17.6013 LDB: ============= START OF LOAD BALANCING ============== 13956.4 LDB: ============== END OF LOAD BALANCING =============== 13956.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13956.4 LDB: ============= START OF LOAD BALANCING ============== 13956.7 LDB: Largest compute 7027 load 0.031720 is 16.2% of average load 0.195352 LDB: Average compute 0.004390 is 2.2% of average load 0.195352 LDB: TIME 13956.7 LOAD: AVG 0.195352 MAX 0.217673 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.953 MB LDB: TIME 13956.7 LOAD: AVG 0.195352 MAX 0.217673 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.953 MB LDB: TIME 13956.7 LOAD: AVG 0.195352 MAX 0.217673 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.953 MB LDB: ============== END OF LOAD BALANCING =============== 13956.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13956.7 PRESSURE: 4464400 -167.597 -114.84 183.488 -114.84 -257.163 -229.774 183.487 -229.774 -153.355 GPRESSURE: 4464400 -173.458 -24.4864 61.4477 -74.0559 -266.519 -209.548 149.114 -144.091 -59.2365 PRESSAVG: 4464400 -23.5671 -63.8829 -35.3176 -63.8829 39.0323 65.5967 -35.3177 65.5967 27.6722 GPRESSAVG: 4464400 -24.6626 -62.2799 -36.8441 -62.7884 39.9534 66.6892 -34.3245 68.8472 27.6428 TIMING: 4464400 CPU: 13944.5, 0.00318261/step Wall: 13944.5, 0.00318261/step, 0.473501 hours remaining, 234.261719 MB of memory in use. ENERGY: 4464400 3991.9327 20454.9628 14394.3662 255.1375 -203227.5613 2607.6660 0.0000 0.0000 51936.8186 -109586.6775 298.4816 -161523.4961 -109222.5031 299.2265 -192.7049 -166.4045 761604.4344 14.3791 14.3112 PRESSURE: 4464600 -122.594 37.6154 172.342 37.6149 -63.2606 110.427 172.342 110.427 105.024 GPRESSURE: 4464600 -150.32 46.6905 216.236 -27.973 -14.3631 87.8611 127.09 22.3865 165.814 PRESSAVG: 4464600 -16.9221 -41.2985 -2.54199 -41.2985 -3.21024 49.9682 -2.54192 49.9681 17.0086 GPRESSAVG: 4464600 -17.1358 -40.492 -2.67394 -42.437 -2.24515 49.8648 -3.79698 48.0644 16.0067 TIMING: 4464600 CPU: 13945.2, 0.00309713/step Wall: 13945.2, 0.00309713/step, 0.460613 hours remaining, 234.464844 MB of memory in use. ENERGY: 4464600 3961.8769 20513.1513 14418.7295 247.0832 -203444.0476 2693.3455 0.0000 0.0000 52082.1326 -109527.7285 299.3167 -161609.8611 -109166.6138 298.9433 -26.9435 0.3770 760996.5349 -1.0413 -1.1247 PRESSURE: 4464800 -266.418 243.869 -2.26183 243.87 -9.07049 -177.656 -2.2622 -177.655 57.5228 GPRESSURE: 4464800 -230.46 152.295 20.6754 273.045 31.5249 -124.049 52.9255 -182.352 52.1991 PRESSAVG: 4464800 -41.4493 35.2719 38.1739 35.272 81.4813 -15.2846 38.1738 -15.2847 -4.70755 GPRESSAVG: 4464800 -42.2335 32.7225 38.6183 37.0307 82.2793 -16.0143 37.8828 -15.8266 -4.75903 TIMING: 4464800 CPU: 13945.8, 0.00310345/step Wall: 13945.8, 0.00310345/step, 0.461379 hours remaining, 234.464844 MB of memory in use. ENERGY: 4464800 3977.5287 20577.4863 14510.6927 248.7457 -203541.2893 2827.7427 0.0000 0.0000 52093.7343 -109305.3589 299.3834 -161399.0932 -108940.5234 299.1617 -72.6554 -48.9121 763472.3375 11.7748 11.7623 PRESSURE: 4465000 -169.368 -74.0276 -148.82 -74.0277 -82.1287 -139.504 -148.82 -139.504 172.28 GPRESSURE: 4465000 -129.43 -66.8007 -176.994 -100.21 -73.7254 -100.762 -138.159 -130.402 218.393 PRESSAVG: 4465000 -39.8396 -38.48 1.43762 -38.48 35.574 29.725 1.43754 29.725 -6.23575 GPRESSAVG: 4465000 -39.1104 -36.3344 1.75003 -41.0895 34.3326 30.113 2.50687 29.4554 -5.28804 TIMING: 4465000 CPU: 13946.4, 0.00311254/step Wall: 13946.4, 0.00311254/step, 0.462558 hours remaining, 234.667969 MB of memory in use. ENERGY: 4465000 3954.5562 20566.2019 14466.9171 255.4940 -203319.4120 2530.1745 0.0000 0.0000 52124.3637 -109421.7045 299.5594 -161546.0683 -109059.1044 299.1247 -26.4054 5.0794 761071.5690 -3.5004 -3.3553 PRESSURE: 4465200 -236.892 -157.915 -147.794 -157.914 -188.817 175.79 -147.794 175.79 -158.486 GPRESSURE: 4465200 -194.812 -199.391 -134.797 19.3633 -145.737 154.146 -116.843 168.2 -153.774 PRESSAVG: 4465200 -0.640348 -15.3069 17.8678 -15.3069 -0.971347 -0.78043 17.8677 -0.780492 38.6623 GPRESSAVG: 4465200 -0.0619162 -17.8174 17.1685 -12.6734 -1.09142 -2.23168 16.7596 -0.0133021 38.1675 TIMING: 4465200 CPU: 13947, 0.00309829/step Wall: 13947, 0.00309829/step, 0.460268 hours remaining, 234.667969 MB of memory in use. ENERGY: 4465200 3999.9478 20543.2025 14407.7562 248.8749 -203529.3530 2722.6383 0.0000 0.0000 52326.8566 -109280.0767 300.7232 -161606.9333 -108916.6957 299.2846 -194.7319 -164.7743 761754.6171 12.3502 12.3380 PRESSURE: 4465400 56.5816 64.6458 122.96 64.6466 -119.553 -37.2418 122.96 -37.2419 112.98 GPRESSURE: 4465400 129.902 43.1895 61.9571 28.1057 -104.064 -9.30736 248.71 42.9624 113.696 PRESSAVG: 4465400 38.8715 -38.8092 46.2537 -38.8093 -10.3364 20.9517 46.2536 20.9518 -12.6085 GPRESSAVG: 4465400 38.5296 -36.8368 47.0869 -39.0999 -10.0613 21.8517 45.4771 22.117 -12.5677 TIMING: 4465400 CPU: 13947.7, 0.00309698/step Wall: 13947.7, 0.00309698/step, 0.459901 hours remaining, 234.667969 MB of memory in use. ENERGY: 4465400 3998.7495 20465.3988 14492.5844 242.9528 -203229.5848 2630.4747 0.0000 0.0000 52052.5823 -109346.8423 299.1469 -161399.4246 -108990.0805 299.6709 16.6695 46.5112 760758.3292 5.3089 5.3002 PRESSURE: 4465600 -29.1393 26.8626 -84.4206 26.8624 362.846 13.4385 -84.4204 13.4396 363.875 GPRESSURE: 4465600 -13.6944 21.5666 -66.7186 -12.86 317.787 -70.8546 67.0327 -93.7241 471.663 PRESSAVG: 4465600 21.4302 -37.6357 11.528 -37.6358 -29.0747 -7.50485 11.528 -7.50485 3.66495 GPRESSAVG: 4465600 22.5348 -35.2759 11.8049 -39.7499 -30.1275 -8.00032 13.2025 -5.833 3.56076 TIMING: 4465600 CPU: 13948.3, 0.00312574/step Wall: 13948.3, 0.00312574/step, 0.463998 hours remaining, 234.667969 MB of memory in use. ENERGY: 4465600 3932.2116 20445.1498 14422.7577 243.8713 -203056.3114 2463.2920 0.0000 0.0000 52038.6331 -109510.3959 299.0667 -161549.0289 -109140.1398 299.3860 232.5270 258.5850 761336.7922 -1.3265 -1.3440 PRESSURE: 4465800 -50.0511 84.1093 -201.646 84.1085 137.84 126.871 -201.646 126.871 -125.543 GPRESSURE: 4465800 70.968 50.092 -217.796 11.0913 83.542 158.115 -186.647 84.9607 -75.1524 PRESSAVG: 4465800 -11.3139 -41.3882 4.06972 -41.3882 -12.5431 17.303 4.06967 17.303 -27.5451 GPRESSAVG: 4465800 -11.5404 -44.1232 2.52577 -41.158 -12.1837 18.0659 3.27401 15.2287 -27.5876 TIMING: 4465800 CPU: 13948.9, 0.00312196/step Wall: 13948.9, 0.00312196/step, 0.463264 hours remaining, 234.667969 MB of memory in use. ENERGY: 4465800 4006.9934 20234.7190 14412.8428 245.5512 -203489.4648 2578.9583 0.0000 0.0000 52247.4695 -109762.9305 300.2669 -162010.4000 -109404.1575 298.6466 -12.5847 26.4525 760697.5607 -17.1340 -17.1039 PRESSURE: 4466000 185.06 -242.085 13.624 -242.086 82.374 -58.8813 13.6238 -58.8816 -64.7949 GPRESSURE: 4466000 194.055 -221.509 53.5742 -240.086 97.6607 29.2735 -17.3154 84.6895 -15.947 PRESSAVG: 4466000 -40.4347 -67.5617 -21.157 -67.5616 40.5722 23.9549 -21.157 23.9548 11.4904 GPRESSAVG: 4466000 -39.6233 -67.7977 -21.0278 -65.2387 39.2026 23.5543 -20.2521 23.5646 11.8952 TIMING: 4466000 CPU: 13949.5, 0.0031081/step Wall: 13949.5, 0.0031081/step, 0.461035 hours remaining, 234.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4466000 4074.2811 20387.8757 14465.9226 248.2134 -202816.9130 2327.7058 0.0000 0.0000 51638.9946 -109673.9197 296.7700 -161312.9143 -109319.9799 298.8567 67.5463 91.9229 762073.2105 3.8760 3.8248 PRESSURE: 4466200 -242.544 41.166 66.4352 41.1661 -266.829 36.3523 66.4355 36.3529 -277.167 GPRESSURE: 4466200 -180.059 17.8278 126.751 17.0777 -236.481 104.683 6.3133 -85.8614 -281.692 PRESSAVG: 4466200 39.3174 -14.7898 68.661 -14.7899 -36.6334 -2.95201 68.661 -2.952 6.66705 GPRESSAVG: 4466200 37.4349 -14.7017 68.5451 -15.1647 -34.0686 -2.06741 68.6645 -3.40629 6.67326 TIMING: 4466200 CPU: 13950.1, 0.00310601/step Wall: 13950.1, 0.00310601/step, 0.460552 hours remaining, 234.667969 MB of memory in use. ENERGY: 4466200 3947.0933 20612.8918 14437.0279 252.9709 -203056.0995 2323.3581 0.0000 0.0000 51797.7244 -109685.0331 297.6822 -161482.7575 -109334.5762 297.9653 -262.1800 -232.7439 763745.0388 3.1170 3.3465 PRESSURE: 4466400 -221.95 -71.0179 -33.4915 -71.0184 175.608 -119.912 -33.4914 -119.914 261.492 GPRESSURE: 4466400 -68.5717 51.4046 -14.8829 31.2749 182.684 -122.718 20.1838 -34.2802 203.561 PRESSAVG: 4466400 -51.9552 28.8287 -15.2164 28.8287 93.1731 46.07 -15.2164 46.07 -22.7292 GPRESSAVG: 4466400 -49.8379 30.1841 -14.2416 27.2667 91.8487 47.5791 -13.1701 45.3421 -23.6836 TIMING: 4466400 CPU: 13950.8, 0.00313247/step Wall: 13950.8, 0.00313247/step, 0.464302 hours remaining, 234.667969 MB of memory in use. ENERGY: 4466400 3979.9500 20309.0102 14495.2340 258.3927 -203272.0345 2734.7844 0.0000 0.0000 51777.5137 -109717.1494 297.5661 -161494.6632 -109373.0456 298.0134 71.7166 105.8911 762000.1454 6.1629 6.1091 PRESSURE: 4466600 -69.4394 14.9427 -50.7409 14.943 -88.7647 65.7934 -50.7406 65.7937 -288.093 GPRESSURE: 4466600 -26.7874 25.9923 -77.7056 -143.833 -43.7712 110.731 -141.931 84.8502 -316.318 PRESSAVG: 4466600 -40.8936 -12.0327 7.14815 -12.0327 53.9394 0.0323234 7.14814 0.0323004 -7.7347 GPRESSAVG: 4466600 -41.8546 -12.7393 5.58724 -10.5488 54.8171 -1.96878 4.90089 3.10084 -7.56925 TIMING: 4466600 CPU: 13951.4, 0.0031199/step Wall: 13951.4, 0.0031199/step, 0.462265 hours remaining, 234.656250 MB of memory in use. ENERGY: 4466600 3869.3177 20403.3197 14498.7232 253.8216 -203273.3919 2496.9351 0.0000 0.0000 51782.5585 -109968.7162 297.5951 -161751.2747 -109608.2112 297.5286 -148.7658 -128.9590 763125.8034 1.7703 1.7977 PRESSURE: 4466800 -130.345 146.067 103.141 146.067 -402.896 132.244 103.141 132.244 -9.84562 GPRESSURE: 4466800 -104.1 52.9706 79.6198 60.7834 -348.264 158.839 164.925 20.4764 -8.97798 PRESSAVG: 4466800 -55.224 -22.2938 -27.1786 -22.2938 32.4607 -10.9365 -27.1786 -10.9364 -17.1666 GPRESSAVG: 4466800 -56.2014 -22.9626 -25.399 -23.6132 31.7186 -9.43761 -27.0514 -12.9652 -15.6594 TIMING: 4466800 CPU: 13952, 0.00313082/step Wall: 13952, 0.00313082/step, 0.463708 hours remaining, 234.656250 MB of memory in use. ENERGY: 4466800 3942.6554 20371.8974 14452.2871 236.3029 -203553.8529 2470.7423 0.0000 0.0000 52018.7018 -110061.2661 298.9522 -162079.9679 -109697.2626 297.9566 -181.0291 -153.7807 760837.6601 -13.3100 -13.3807 PRESSURE: 4467000 -193.001 37.9202 -3.1298 37.9198 -149.611 -58.162 -3.13053 -58.1636 1.05717 GPRESSURE: 4467000 -192.414 109.627 -17.89 67.9978 1.17506 -63.5039 -131.541 20.1174 -57.9955 PRESSAVG: 4467000 -14.3987 10.236 15.03 10.236 55.1441 11.8231 15.03 11.8231 -17.1147 GPRESSAVG: 4467000 -13.7605 9.14191 13.8401 12.8502 56.5902 9.83998 15.6267 11.0792 -19.0356 TIMING: 4467000 CPU: 13952.6, 0.00314044/step Wall: 13952.6, 0.00314044/step, 0.464959 hours remaining, 234.656250 MB of memory in use. ENERGY: 4467000 3999.6665 20564.4325 14471.4067 232.9696 -203228.2426 2353.9058 0.0000 0.0000 51741.5769 -109864.2844 297.3596 -161605.8614 -109507.1899 297.7189 -113.8516 -83.0780 760988.7506 7.8769 7.9314 PRESSURE: 4467200 -257.679 108.315 -102.087 108.315 -83.5496 -169.073 -102.088 -169.075 256.117 GPRESSURE: 4467200 -249.131 8.13803 -157.024 142.354 -31.1474 -88.0021 -140.339 -69.4068 286.607 PRESSAVG: 4467200 -35.4891 42.4658 -14.6347 42.4658 6.61127 23.2851 -14.6347 23.2851 41.8764 GPRESSAVG: 4467200 -35.5614 43.4381 -14.0802 40.8649 6.44813 25.129 -14.3627 25.1521 42.0025 TIMING: 4467200 CPU: 13953.3, 0.00313416/step Wall: 13953.3, 0.00313416/step, 0.463855 hours remaining, 234.656250 MB of memory in use. ENERGY: 4467200 3921.0654 20363.0602 14409.8965 271.8567 -203585.0396 2655.0033 0.0000 0.0000 51940.2756 -110023.8820 298.5015 -161964.1576 -109664.3779 298.3220 -28.3704 2.1097 761868.3576 4.3328 4.2964 PRESSURE: 4467400 118.117 26.8954 157.763 26.8944 225.144 110.956 157.762 110.956 267.286 GPRESSURE: 4467400 253.933 -72.4662 156.705 78.5565 138.369 125.928 152.808 141.683 315.535 PRESSAVG: 4467400 -10.9998 23.0432 17.4274 23.0432 32.6375 24.9317 17.4273 24.9317 8.82866 GPRESSAVG: 4467400 -11.5277 22.9308 17.8387 21.9329 31.6525 23.9319 17.6201 23.7232 10.2976 TIMING: 4467400 CPU: 13953.9, 0.00312284/step Wall: 13953.9, 0.00312284/step, 0.462007 hours remaining, 234.656250 MB of memory in use. ENERGY: 4467400 3892.2252 20303.7074 14493.8608 233.7762 -203844.6949 2985.0511 0.0000 0.0000 51788.5678 -110147.5064 297.6296 -161936.0742 -109790.6309 297.6161 203.5160 235.9456 762511.8086 10.1554 10.1408 PRESSURE: 4467600 67.5951 -115.469 -27.1954 -115.468 109.374 194.782 -27.1957 194.781 44.4259 GPRESSURE: 4467600 90.3432 -101.802 -46.6552 -122.126 143.32 156.678 105.199 139.986 83.5304 PRESSAVG: 4467600 37.8227 15.3854 -4.83767 15.3854 0.0444874 21.4946 -4.83767 21.4945 1.94039 GPRESSAVG: 4467600 37.5703 18.0898 -3.71537 13.0284 2.07229 21.0745 -5.18808 21.9468 0.912918 TIMING: 4467600 CPU: 13954.5, 0.00310346/step Wall: 13954.5, 0.00310346/step, 0.458967 hours remaining, 234.667969 MB of memory in use. ENERGY: 4467600 3934.2166 20386.5653 14472.9312 243.8715 -204155.6181 2948.3650 0.0000 0.0000 51948.3534 -110221.3150 298.5479 -162169.6684 -109853.9411 297.5826 73.7982 105.7313 759760.9446 13.2692 13.5185 PRESSURE: 4467800 -135.063 57.9234 125.086 57.9243 -249.848 110.808 125.086 110.807 -272.758 GPRESSURE: 4467800 -42.5889 62.1062 107.627 7.55139 -241.8 1.88596 152.792 65.1324 -264.161 PRESSAVG: 4467800 -6.11891 -12.1822 -24.8448 -12.1822 -15.9709 21.0599 -24.8448 21.0599 17.3522 GPRESSAVG: 4467800 -5.07403 -14.5707 -25.4277 -9.58812 -16.746 22.3475 -25.2812 19.6408 17.6971 TIMING: 4467800 CPU: 13955.1, 0.00311199/step Wall: 13955.1, 0.00311199/step, 0.460056 hours remaining, 234.667969 MB of memory in use. ENERGY: 4467800 3981.0230 20425.9646 14506.2286 230.7970 -203239.8151 2273.4047 0.0000 0.0000 51688.2339 -110134.1634 297.0530 -161822.3974 -109780.6377 297.3967 -219.2230 -182.8500 761130.1481 -1.5792 -1.3743 PRESSURE: 4468000 232.33 53.3009 47.1413 53.2999 321.764 -106.217 47.1407 -106.218 -168.42 GPRESSURE: 4468000 225.179 70.7351 72.681 94.1531 352.289 -56.2543 -18.4531 72.9643 -105.827 PRESSAVG: 4468000 -8.61117 -36.5254 6.68464 -36.5254 -20.9271 52.1941 6.68469 52.194 2.50452 GPRESSAVG: 4468000 -8.87496 -36.9588 7.00186 -36.4866 -19.3992 52.4646 5.29387 52.4772 1.84204 TIMING: 4468000 CPU: 13955.8, 0.00310635/step Wall: 13955.8, 0.00310635/step, 0.459049 hours remaining, 234.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4468000 3918.7762 20484.2618 14453.1216 246.9486 -203522.8319 2686.5891 0.0000 0.0000 51710.5484 -110022.5863 297.1812 -161733.1347 -109664.6958 297.5721 128.5582 157.2138 762101.5500 -9.0113 -8.8107 PRESSURE: 4468200 37.2415 -78.4588 -146.245 -78.4597 115.698 45.0959 -146.246 45.095 230.214 GPRESSURE: 4468200 102.815 31.4504 -156.678 -123.68 112.279 222.032 -156.354 94.2523 226.379 PRESSAVG: 4468200 -48.4272 -25.2922 -9.52068 -25.2921 27.3021 5.73675 -9.52075 5.73671 -10.2856 GPRESSAVG: 4468200 -47.4415 -25.134 -10.4483 -25.5772 24.4436 6.80786 -6.53567 6.29625 -8.76845 TIMING: 4468200 CPU: 13956.4, 0.00310677/step Wall: 13956.4, 0.00310677/step, 0.458939 hours remaining, 234.667969 MB of memory in use. ENERGY: 4468200 3935.8286 20514.2848 14499.8068 250.4193 -203529.3865 2609.7739 0.0000 0.0000 51770.4881 -109948.7851 297.5257 -161719.2732 -109598.2077 297.9256 127.7180 147.1575 761587.3726 -10.4703 -10.5888 LDB: ============= START OF LOAD BALANCING ============== 13968.9 LDB: ============== END OF LOAD BALANCING =============== 13968.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13968.9 LDB: ============= START OF LOAD BALANCING ============== 13969.2 LDB: Largest compute 7026 load 0.030700 is 15.7% of average load 0.195380 LDB: Average compute 0.004397 is 2.3% of average load 0.195380 LDB: TIME 13969.2 LOAD: AVG 0.19538 MAX 0.217311 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.102 MB LDB: TIME 13969.2 LOAD: AVG 0.19538 MAX 0.217311 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.102 MB LDB: TIME 13969.2 LOAD: AVG 0.19538 MAX 0.217311 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.102 MB LDB: ============== END OF LOAD BALANCING =============== 13969.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13969.2 PRESSURE: 4468400 112.74 -262.758 142.653 -262.758 -21.2294 69.3505 142.653 69.3522 -40.9488 GPRESSURE: 4468400 169.618 -156.742 251.77 -204.151 -25.5848 38.6286 35.0206 -12.0998 -18.9087 PRESSAVG: 4468400 10.5406 -58.8045 -35.0132 -58.8045 48.651 34.4999 -35.0133 34.4999 14.5087 GPRESSAVG: 4468400 9.33065 -57.0292 -34.2394 -60.756 50.8702 32.5988 -36.835 32.2962 13.6589 TIMING: 4468400 CPU: 13957, 0.0031712/step Wall: 13957, 0.0031712/step, 0.468281 hours remaining, 234.519531 MB of memory in use. ENERGY: 4468400 3947.9047 20334.2786 14480.8488 236.7719 -203603.9818 2737.0385 0.0000 0.0000 51789.7987 -110077.3406 297.6367 -161867.1393 -109718.3236 298.0854 16.8541 41.7083 761808.3967 24.5668 24.6199 PRESSURE: 4468600 176.392 -71.567 -15.2071 -71.5671 206.232 8.66547 -15.2073 8.66516 99.7078 GPRESSURE: 4468600 287.901 -115.797 -148.722 -67.0287 138.04 27.9878 73.0827 -54.2956 132.511 PRESSAVG: 4468600 -10.4358 -12.5812 28.4598 -12.5812 16.3573 9.14085 28.4598 9.14082 -1.87244 GPRESSAVG: 4468600 -10.4934 -15.2751 29.0314 -10.7956 17.1932 8.00576 29.4849 12.4742 -2.63879 TIMING: 4468600 CPU: 13957.6, 0.00310397/step Wall: 13957.6, 0.00310397/step, 0.45818 hours remaining, 234.519531 MB of memory in use. ENERGY: 4468600 3910.2095 20222.6189 14518.8661 249.1528 -203592.3597 2838.9003 0.0000 0.0000 51998.5955 -109854.0166 298.8366 -161852.6121 -109489.3337 298.1200 160.7771 186.1506 761932.5387 1.3497 1.3537 PRESSURE: 4468800 45.8238 -100.894 -54.7985 -100.894 -555.225 -234.363 -54.7992 -234.363 120.057 GPRESSURE: 4468800 39.3132 -70.4061 -17.1583 -121.442 -429.946 -98.1743 -90.3762 -155.747 93.8644 PRESSAVG: 4468800 -5.29891 -34.6468 -21.4121 -34.6468 39.8675 10.5444 -21.4122 10.5444 -11.4418 GPRESSAVG: 4468800 -5.17016 -32.1135 -21.042 -34.6214 38.9019 12.6869 -22.4685 9.88972 -10.5 TIMING: 4468800 CPU: 13958.3, 0.00311634/step Wall: 13958.3, 0.00311634/step, 0.459833 hours remaining, 234.519531 MB of memory in use. ENERGY: 4468800 4024.3046 20448.7297 14481.3660 228.8371 -203584.3346 2657.0447 0.0000 0.0000 51738.4420 -110005.6105 297.3415 -161744.0525 -109647.3453 298.2125 -129.7815 -98.9226 761944.8302 7.7089 7.7439 PRESSURE: 4469000 -179.435 -3.17702 13.2916 -3.17827 264.961 156.324 13.2916 156.324 -349.777 GPRESSURE: 4469000 -182.406 -0.00714431 -106.632 -59.1518 269.794 215.021 47.3807 85.4591 -258.383 PRESSAVG: 4469000 -25.3557 35.721 4.86583 35.721 8.89169 43.8201 4.8659 43.8202 17.1624 GPRESSAVG: 4469000 -24.8027 35.9818 5.27432 33.9342 9.10883 43.8453 3.6981 42.8633 16.2212 TIMING: 4469000 CPU: 13958.9, 0.00311466/step Wall: 13958.9, 0.00311466/step, 0.459413 hours remaining, 234.644531 MB of memory in use. ENERGY: 4469000 3995.6558 20362.7377 14491.9086 265.1271 -203310.1794 2425.6533 0.0000 0.0000 51940.7455 -109828.3515 298.5042 -161769.0970 -109459.2780 297.9452 -88.0836 -56.9984 761220.3531 0.2328 0.1758 PRESSURE: 4469200 153.115 -224.665 -35.6308 -224.665 32.6938 -248.13 -35.6296 -248.13 74.8542 GPRESSURE: 4469200 61.3437 -182.585 -168.69 -118.621 93.3357 -172.341 22.5033 -292.841 189.321 PRESSAVG: 4469200 -23.7216 -11.6307 -34.9507 -11.6307 -8.09957 42.5316 -34.9507 42.5315 3.72217 GPRESSAVG: 4469200 -26.5022 -14.0316 -36.9342 -9.427 -8.14061 41.7636 -31.6858 43.5867 6.15616 TIMING: 4469200 CPU: 13959.5, 0.00312125/step Wall: 13959.5, 0.00312125/step, 0.46021 hours remaining, 234.644531 MB of memory in use. ENERGY: 4469200 3999.9384 20492.1113 14418.3404 261.6011 -203754.1541 2751.3364 0.0000 0.0000 52047.6589 -109783.1676 299.1186 -161830.8265 -109420.3306 298.5061 86.8878 114.6670 760855.3114 -9.3663 -9.4955 PRESSURE: 4469400 -519.737 38.337 16.9903 38.337 68.0996 -141.392 16.9921 -141.391 109.309 GPRESSURE: 4469400 -392.883 40.7649 2.57623 27.0911 69.3097 -183.25 198.796 -153.572 91.5259 PRESSAVG: 4469400 -4.43992 -70.0764 8.81988 -70.0764 50.2849 53.8901 8.81982 53.89 22.9328 GPRESSAVG: 4469400 -3.25113 -65.9312 9.86635 -73.2788 50.3241 52.7267 6.4997 52.816 21.4664 TIMING: 4469400 CPU: 13960.1, 0.00310886/step Wall: 13960.1, 0.00310886/step, 0.458211 hours remaining, 234.644531 MB of memory in use. ENERGY: 4469400 4020.3665 20361.6683 14420.3135 241.6397 -203707.2743 2541.0310 0.0000 0.0000 51992.3123 -110129.9429 298.8005 -162122.2552 -109777.1424 298.8732 -114.1094 -77.3493 760721.5417 22.9259 22.8465 PRESSURE: 4469600 45.0245 -10.0171 -103.437 -10.017 177.421 278.436 -103.437 278.438 141.144 GPRESSURE: 4469600 116.868 -85.0289 -73.8891 -52.6131 170.115 300.577 -9.46714 148.845 157.387 PRESSAVG: 4469600 -4.62048 -43.3203 26.9239 -43.3203 19.9648 80.8158 26.9239 80.8159 13.2112 GPRESSAVG: 4469600 -4.01726 -46.101 27.8652 -41.1318 18.8908 81.932 28.808 82.8423 13.2557 TIMING: 4469600 CPU: 13960.8, 0.00310992/step Wall: 13960.8, 0.00310992/step, 0.458195 hours remaining, 234.644531 MB of memory in use. ENERGY: 4469600 3990.9772 20453.0844 14499.8138 227.9403 -204222.6517 3061.0127 0.0000 0.0000 51851.5030 -110138.3204 297.9913 -161989.8234 -109777.2942 297.7516 121.1965 148.1229 760917.9381 9.5185 9.3764 PRESSURE: 4469800 -19.32 -29.7223 -112.354 -29.7223 -326.885 -49.1546 -112.354 -49.1534 134.939 GPRESSURE: 4469800 18.0303 6.5487 -187.475 47.896 -288.629 -125.953 -100.866 -14.383 133.378 PRESSAVG: 4469800 4.68871 -28.1992 -21.0129 -28.1993 -18.3537 -39.1794 -21.0129 -39.1793 1.32388 GPRESSAVG: 4469800 5.33117 -28.5534 -20.8093 -24.6797 -18.8939 -39.4459 -22.2415 -40.6005 1.62896 TIMING: 4469800 CPU: 13961.4, 0.00313679/step Wall: 13961.4, 0.00313679/step, 0.46198 hours remaining, 234.644531 MB of memory in use. ENERGY: 4469800 3978.7518 20300.4606 14531.6097 275.7110 -203949.3764 2762.8802 0.0000 0.0000 51895.4161 -110204.5470 298.2437 -162099.9631 -109847.3792 297.9884 -70.4221 -45.7402 760465.8097 -4.1137 -3.9779 PRESSURE: 4470000 99.0927 -66.5739 -232.067 -66.5735 -52.9296 126.631 -232.068 126.631 -134.477 GPRESSURE: 4470000 82.3665 -167.419 -271.909 -99.7075 25.7749 183.805 -178.661 153.616 -133.42 PRESSAVG: 4470000 41.3643 -15.178 4.55085 -15.178 -29.2008 20.5665 4.55076 20.5665 -3.87069 GPRESSAVG: 4470000 41.0371 -13.3171 2.13746 -18.5636 -29.1408 20.6592 4.0029 22.251 -4.32699 TIMING: 4470000 CPU: 13962, 0.00311484/step Wall: 13962, 0.00311484/step, 0.458573 hours remaining, 234.644531 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: 4470000 4025.8429 20327.8208 14450.7106 244.1721 -204097.4308 2723.5886 0.0000 0.0000 51948.8512 -110376.4446 298.5508 -162325.2958 -110018.5122 297.5428 -29.4378 -8.4261 760598.9391 2.7643 2.5231 PRESSURE: 4470200 -352.08 175.096 140.88 175.097 -207.435 85.6267 140.88 85.6273 137.811 GPRESSURE: 4470200 -232.382 120.187 92.1358 109.615 -232.456 -6.90363 174.695 146.511 128.889 PRESSAVG: 4470200 7.25677 21.9188 -0.87013 21.9189 -11.6345 30.6195 -0.870119 30.6194 -2.04003 GPRESSAVG: 4470200 6.14953 20.0107 0.843345 20.8799 -10.2424 30.2615 -1.0221 30.8427 -1.82598 TIMING: 4470200 CPU: 13962.6, 0.00310405/step Wall: 13962.6, 0.00310405/step, 0.456813 hours remaining, 234.644531 MB of memory in use. ENERGY: 4470200 3987.6109 20638.3395 14423.7231 232.1961 -203838.0265 2685.1170 0.0000 0.0000 51617.4055 -110253.6344 296.6459 -161871.0399 -109888.0666 297.0941 -140.5681 -111.9829 763228.2773 -2.1393 -1.9730 PRESSURE: 4470400 318.454 -168.335 -268.014 -168.335 -115.759 91.3572 -268.014 91.3577 -130.172 GPRESSURE: 4470400 352.621 -209.747 -245.96 -60.5022 -20.9344 175.631 -262.469 117.24 -163.623 PRESSAVG: 4470400 -37.6994 -39.9403 7.05784 -39.9403 48.1137 1.89722 7.05782 1.89729 -4.40314 GPRESSAVG: 4470400 -37.0774 -38.6691 8.34507 -38.1293 46.3364 2.211 8.67685 -0.162341 -4.04295 TIMING: 4470400 CPU: 13963.2, 0.00310732/step Wall: 13963.2, 0.00310732/step, 0.457121 hours remaining, 234.644531 MB of memory in use. ENERGY: 4470400 4013.8502 20358.3370 14489.3892 253.0120 -204153.4189 2938.5484 0.0000 0.0000 51745.8584 -110354.4238 297.3842 -162100.2822 -109994.7782 297.1035 24.1744 56.0213 760353.4735 2.0037 1.7387 PRESSURE: 4470600 -392.478 -93.8307 4.47652 -93.8308 -194.684 -104.95 4.47617 -104.949 -171.115 GPRESSURE: 4470600 -358.03 -84.7681 -27.2353 -66.8919 -149.38 -117.742 -0.294525 8.10963 -167.766 PRESSAVG: 4470600 10.0908 -41.4633 -15.2687 -41.4632 -29.2664 21.6007 -15.2687 21.6007 22.4122 GPRESSAVG: 4470600 9.49602 -44.4189 -17.9747 -42.3017 -28.4368 22.2066 -14.6517 24.188 22.3903 TIMING: 4470600 CPU: 13963.9, 0.00310157/step Wall: 13963.9, 0.00310157/step, 0.456104 hours remaining, 234.644531 MB of memory in use. ENERGY: 4470600 4046.0660 20484.4730 14480.2249 247.6176 -203472.3690 2543.9787 0.0000 0.0000 51508.0947 -110161.9141 296.0177 -161670.0088 -109808.5977 297.2777 -252.7589 -225.0589 762761.5898 1.0789 1.1499 PRESSURE: 4470800 287.936 -28.3171 -119.558 -28.3172 208.157 244.208 -119.557 244.208 360.683 GPRESSURE: 4470800 252.296 -6.32733 -167.282 -50.12 261.339 289.639 -193.928 144.247 437.872 PRESSAVG: 4470800 16.0096 -7.72071 2.54205 -7.72068 -4.12937 45.4964 2.54202 45.4965 2.32578 GPRESSAVG: 4470800 16.9812 -6.01298 4.83532 -6.31613 -4.51245 46.0749 0.325615 40.2856 1.77055 TIMING: 4470800 CPU: 13964.5, 0.00311176/step Wall: 13964.5, 0.00311176/step, 0.457428 hours remaining, 234.644531 MB of memory in use. ENERGY: 4470800 3996.2278 20200.2998 14517.4754 255.2976 -203563.3301 2675.8512 0.0000 0.0000 51727.7937 -110190.3845 297.2803 -161918.1782 -109826.9514 297.5888 285.5919 317.1690 760951.5854 4.7353 4.7464 PRESSURE: 4471000 -304.26 208.291 27.2268 208.292 39.1582 71.1396 27.2263 71.139 -336.627 GPRESSURE: 4471000 -259.375 79.0112 11.8476 190.215 97.4273 -12.0505 -19.5064 112.642 -334.789 PRESSAVG: 4471000 34.6527 -27.1201 18.2713 -27.1201 -59.8978 29.1169 18.2713 29.1169 -27.1285 GPRESSAVG: 4471000 34.0868 -26.0419 16.6012 -30.3697 -60.3597 26.8924 18.2795 32.0567 -25.8682 TIMING: 4471000 CPU: 13965.1, 0.00311829/step Wall: 13965.1, 0.00311829/step, 0.458216 hours remaining, 234.644531 MB of memory in use. ENERGY: 4471000 4000.6411 20385.6657 14477.7428 265.7374 -203154.7019 2408.3230 0.0000 0.0000 51495.3352 -110121.2568 295.9444 -161616.5920 -109771.3433 297.3488 -200.5764 -165.5789 761197.5629 -17.4579 -17.3803 PRESSURE: 4471200 -272.85 -93.9165 -120.984 -93.9171 42.7785 -98.8089 -120.983 -98.8093 135.31 GPRESSURE: 4471200 -164.038 23.9135 -60.4188 -89.979 26.3736 -97.6861 12.2357 -81.317 145.85 PRESSAVG: 4471200 -33.1466 22.1753 -2.10894 22.1752 -4.13766 13.0961 -2.10894 13.0961 1.49156 GPRESSAVG: 4471200 -31.2825 22.0946 -1.3648 23.8329 -2.63909 13.8081 -2.4178 11.8597 -1.47529 TIMING: 4471200 CPU: 13965.7, 0.00311097/step Wall: 13965.7, 0.00311097/step, 0.456967 hours remaining, 234.644531 MB of memory in use. ENERGY: 4471200 3944.0346 20363.1190 14432.2943 252.0650 -203278.2021 2580.0565 0.0000 0.0000 51799.4208 -109907.2118 297.6920 -161706.6326 -109540.5479 297.8942 -31.5872 2.7284 761389.0797 -11.9309 -11.7989 PRESSURE: 4471400 -293.051 -35.6394 -36.002 -35.64 -276.27 -156.766 -36.001 -156.766 -113.78 GPRESSURE: 4471400 -189.701 -114.771 -36.2561 -104.801 -324.98 -64.4682 -53.803 -260.859 -67.824 PRESSAVG: 4471400 13.4257 -38.0803 -18.3663 -38.0803 -0.0913554 0.226472 -18.3662 0.226523 11.5938 GPRESSAVG: 4471400 11.0238 -37.9373 -18.3663 -38.3948 0.0902071 1.32662 -17.2628 0.249881 13.8057 TIMING: 4471400 CPU: 13966.4, 0.00310683/step Wall: 13966.4, 0.00310683/step, 0.456187 hours remaining, 234.644531 MB of memory in use. ENERGY: 4471400 3949.1330 20360.9591 14558.4784 249.7934 -203203.2201 2555.5743 0.0000 0.0000 51739.7168 -109789.5651 297.3489 -161529.2819 -109429.3855 298.1576 -227.7005 -194.1685 762528.3131 8.3094 8.3066 PRESSURE: 4471600 -210.732 -40.8597 86.9748 -40.8609 -315.74 283.373 86.9744 283.372 140.065 GPRESSURE: 4471600 -143.406 -118.261 42.2018 -90.201 -267.241 262.057 63.5009 320.728 120.477 PRESSAVG: 4471600 -27.7093 -21.1758 -12.8112 -21.1759 -16.0441 -31.9894 -12.8113 -31.9895 -5.81778 GPRESSAVG: 4471600 -26.1735 -21.4809 -13.9078 -21.0576 -17.8116 -33.0275 -12.1168 -31.5689 -5.72421 TIMING: 4471600 CPU: 13967, 0.00309663/step Wall: 13967, 0.00309663/step, 0.454516 hours remaining, 234.644531 MB of memory in use. ENERGY: 4471600 4017.5091 20540.5698 14539.0986 239.9935 -203287.0815 2333.7822 0.0000 0.0000 51677.1821 -109938.9461 296.9895 -161616.1283 -109586.9728 297.8367 -128.8021 -96.7233 761542.1370 -16.5237 -16.5698 PRESSURE: 4471800 -87.949 230.39 -130.952 230.391 -128.575 -251.428 -130.952 -251.429 -95.3674 GPRESSURE: 4471800 -111.829 203.283 -123.402 218.945 -92.0553 -271.949 -129.01 -65.8142 -27.7904 PRESSAVG: 4471800 -33.9284 16.5529 -17.1133 16.5529 26.6191 -1.14519 -17.1133 -1.14516 12.02 GPRESSAVG: 4471800 -33.6844 15.4294 -16.3974 16.8198 26.6863 0.730466 -18.1103 -1.27664 11.9929 TIMING: 4471800 CPU: 13967.6, 0.00313616/step Wall: 13967.6, 0.00313616/step, 0.460145 hours remaining, 234.644531 MB of memory in use. ENERGY: 4471800 4001.3841 20610.2004 14410.2548 241.8274 -203544.7326 2580.6620 0.0000 0.0000 52005.4637 -109694.9401 298.8761 -161700.4038 -109335.9726 298.2057 -103.9638 -77.2248 763437.1766 1.5702 1.6649 PRESSURE: 4472000 -118.928 2.96349 121.755 2.964 -259.466 52.2371 121.754 52.2368 -50.4577 GPRESSURE: 4472000 -158.362 87.1311 193.779 -48.7806 -206.061 107.66 212.247 -85.447 38.8174 PRESSAVG: 4472000 -59.9974 -50.934 -16.8099 -50.9339 52.6883 -13.4552 -16.8099 -13.4551 -15.3315 GPRESSAVG: 4472000 -61.2746 -49.8569 -16.2167 -51.9836 53.8602 -15.1387 -17.5265 -13.0158 -14.7245 TIMING: 4472000 CPU: 13968.2, 0.00311205/step Wall: 13968.2, 0.00311205/step, 0.456435 hours remaining, 234.644531 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: 4472000 4017.4291 20563.8462 14429.2264 241.4889 -204057.6462 2964.2601 0.0000 0.0000 52071.2969 -109770.0985 299.2545 -161841.3954 -109404.1544 298.7672 -142.9505 -108.5352 760963.4749 -7.5469 -7.3796 PRESSURE: 4472200 -357.618 156.548 7.61277 156.549 182.903 -206.084 7.61348 -206.084 -84.8764 GPRESSURE: 4472200 -279.085 131.503 63.018 93.5642 136.448 -140.538 -112.264 -287.071 -41.3743 PRESSAVG: 4472200 -59.3249 -38.1082 13.217 -38.1082 70.5827 -10.2195 13.217 -10.2195 -7.85078 GPRESSAVG: 4472200 -58.8688 -39.3306 14.6376 -35.9046 70.29 -9.94036 12.9669 -9.48196 -8.51717 TIMING: 4472200 CPU: 13968.8, 0.00310823/step Wall: 13968.8, 0.00310823/step, 0.4557 hours remaining, 234.644531 MB of memory in use. ENERGY: 4472200 3976.5149 20629.4486 14480.5388 252.0870 -203741.3425 2798.3340 0.0000 0.0000 51818.3866 -109786.0326 297.8010 -161604.4192 -109429.7134 298.8712 -86.5304 -61.3371 761901.2993 1.1357 0.9680 LDB: ============= START OF LOAD BALANCING ============== 13981.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13981.3 LDB: =============== DONE WITH MIGRATION ================ 13981.3 LDB: ============= START OF LOAD BALANCING ============== 13981.6 LDB: Largest compute 7037 load 0.031577 is 16.2% of average load 0.195307 LDB: Average compute 0.004395 is 2.3% of average load 0.195307 LDB: TIME 13981.6 LOAD: AVG 0.195307 MAX 0.218656 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.227 MB LDB: TIME 13981.6 LOAD: AVG 0.195307 MAX 0.218656 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.23 MB LDB: TIME 13981.6 LOAD: AVG 0.195307 MAX 0.217045 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.23 MB LDB: ============== END OF LOAD BALANCING =============== 13981.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13981.6 PRESSURE: 4472400 -35.6654 -260.068 -112.731 -260.068 7.75201 20.3142 -112.732 20.3135 -307.662 GPRESSURE: 4472400 2.34013 -197.548 -89.3983 -248.299 61.4766 2.19818 -61.2726 -47.9955 -315.112 PRESSAVG: 4472400 -60.5288 0.041506 39.2211 0.0415181 7.44738 -0.790814 39.2212 -0.790835 -2.44914 GPRESSAVG: 4472400 -60.3275 1.57401 38.303 -0.772246 6.97987 -0.325351 39.5833 -3.03769 -2.69658 TIMING: 4472400 CPU: 13969.5, 0.00315838/step Wall: 13969.5, 0.00315838/step, 0.462878 hours remaining, 234.832031 MB of memory in use. ENERGY: 4472400 3992.5503 20449.8704 14429.8413 228.6315 -203991.0590 2825.7778 0.0000 0.0000 52165.5103 -109898.8774 299.7959 -162064.3877 -109528.5343 298.2846 -111.8585 -83.7650 760249.9227 -18.5102 -18.6814 PRESSURE: 4472600 -159.151 153.73 172.815 153.729 35.5871 -20.8637 172.816 -20.8639 -130.297 GPRESSURE: 4472600 -172.344 100.787 168.681 214.801 75.5117 8.44122 125.77 72.6697 -82.2729 PRESSAVG: 4472600 -57.3532 60.9006 3.62181 60.9006 46.7465 -19.0606 3.6218 -19.0606 -30.5079 GPRESSAVG: 4472600 -58.0919 60.4188 2.47232 61.7534 47.6145 -20.5532 3.91947 -16.7288 -30.8829 TIMING: 4472600 CPU: 13970.1, 0.00309884/step Wall: 13970.1, 0.00309884/step, 0.453981 hours remaining, 234.832031 MB of memory in use. ENERGY: 4472600 4001.1236 20652.3173 14414.1120 226.5381 -203617.3291 2627.0843 0.0000 0.0000 51966.8453 -109729.3085 298.6542 -161696.1538 -109371.1795 298.9372 -84.6204 -59.7016 761145.0298 -13.7049 -13.7868 PRESSURE: 4472800 -191.022 225.037 67.6599 225.036 -211.944 77.342 67.6603 77.3426 -203.361 GPRESSURE: 4472800 -124.723 244.187 -31.5845 104.633 -179.931 135.146 98.8925 126.03 -206.038 PRESSAVG: 4472800 -7.06609 -22.9926 -8.35068 -22.9926 35.5265 -6.84117 -8.3507 -6.84116 13.896 GPRESSAVG: 4472800 -5.62123 -23.6021 -6.92095 -25.13 34.1213 -5.23422 -8.36 -8.2043 14.0838 TIMING: 4472800 CPU: 13970.7, 0.00308993/step Wall: 13970.7, 0.00308993/step, 0.452503 hours remaining, 234.957031 MB of memory in use. ENERGY: 4472800 4027.0537 20647.3509 14446.2972 254.4283 -203334.1573 2393.7143 0.0000 0.0000 51754.9625 -109810.3503 297.4365 -161565.3128 -109443.4893 298.5671 -202.1089 -170.2305 760446.2098 14.1188 14.1946 PRESSURE: 4473000 -225.53 -114.842 -83.6448 -114.843 354.69 65.5969 -83.6441 65.5962 -24.0115 GPRESSURE: 4473000 -177.326 -102.666 -20.5444 -116.52 301.995 78.0323 -231.548 -78.7285 55.2315 PRESSAVG: 4473000 -31.7257 -54.5552 -30.5012 -54.5552 -4.86738 2.0858 -30.5013 2.08578 -16.3905 GPRESSAVG: 4473000 -32.6579 -53.0955 -32.7347 -54.3242 -4.88617 1.18413 -31.9001 3.33318 -16.052 TIMING: 4473000 CPU: 13971.3, 0.00309143/step Wall: 13971.3, 0.00309143/step, 0.452551 hours remaining, 234.957031 MB of memory in use. ENERGY: 4473000 3953.0438 20384.7684 14479.3538 256.3209 -203499.5021 2750.9113 0.0000 0.0000 51845.7473 -109829.3566 297.9582 -161675.1039 -109475.3166 298.2926 35.0495 59.9669 760531.4441 -17.6612 -17.8653 PRESSURE: 4473200 -77.3372 -10.0698 -50.4399 -10.0703 187.259 166.178 -50.4406 166.177 55.6007 GPRESSURE: 4473200 83.3904 45.8237 -94.4493 25.9716 239.894 286.361 -56.0926 253.407 -46.7235 PRESSAVG: 4473200 -74.8046 -35.1313 -2.27873 -35.1313 74.3655 55.9035 -2.27872 55.9035 -7.07503 GPRESSAVG: 4473200 -74.7811 -35.0478 -0.298196 -36.0087 75.2957 57.5756 -0.974048 54.5014 -8.45566 TIMING: 4473200 CPU: 13972, 0.00312378/step Wall: 13972, 0.00312378/step, 0.457113 hours remaining, 234.957031 MB of memory in use. ENERGY: 4473200 3928.3785 20517.6884 14413.6207 247.2288 -203478.4132 2634.7161 0.0000 0.0000 52053.5209 -109683.2599 299.1523 -161736.7808 -109336.7150 298.1530 55.1742 92.1871 760020.6162 -2.5047 -2.6470 PRESSURE: 4473400 4.91859 -116.563 -345.635 -116.561 -226.674 38.0652 -345.636 38.0649 -243.758 GPRESSURE: 4473400 -35.7632 -236.949 -274.142 -214.128 -192.506 4.87097 -280.827 -16.0354 -151.762 PRESSAVG: 4473400 -5.04189 -39.8968 28.4831 -39.8969 16.6572 -5.71194 28.4832 -5.71187 11.2951 GPRESSAVG: 4473400 -4.56597 -42.1362 28.0142 -38.7692 15.0732 -7.19697 27.1226 -4.85095 13.0194 TIMING: 4473400 CPU: 13972.6, 0.0031016/step Wall: 13972.6, 0.0031016/step, 0.453695 hours remaining, 234.957031 MB of memory in use. ENERGY: 4473400 3921.3734 20419.7001 14479.4569 225.6752 -202886.6886 2243.9209 0.0000 0.0000 51947.9836 -109648.5786 298.5458 -161596.5622 -109266.1746 298.4484 -155.1709 -126.6772 760724.3616 7.6368 7.8422 PRESSURE: 4473600 319.212 18.2006 160.957 18.2007 308.638 -176.078 160.956 -176.078 125.888 GPRESSURE: 4473600 364.786 46.5124 140.658 -34.8969 381.932 -130.794 172.091 -98.4597 103.88 PRESSAVG: 4473600 23.915 -21.622 2.77484 -21.622 -30.7684 -55.5515 2.77484 -55.5515 -0.558981 GPRESSAVG: 4473600 22.2712 -22.6035 1.00239 -23.0153 -27.9564 -54.7044 2.72304 -54.5437 -2.12881 TIMING: 4473600 CPU: 13973.2, 0.00310344/step Wall: 13973.2, 0.00310344/step, 0.453792 hours remaining, 235.156250 MB of memory in use. ENERGY: 4473600 3945.9939 20485.5594 14385.3289 252.4537 -203756.8971 2736.6627 0.0000 0.0000 52530.3228 -109420.5756 301.8925 -161950.8984 -109053.3995 298.9547 251.2459 283.5329 759413.1637 -2.4708 -2.6047 PRESSURE: 4473800 235.524 204.445 -83.0862 204.443 66.6114 141.408 -83.0859 141.409 -34.2813 GPRESSURE: 4473800 281.736 113.33 -113.694 226.674 48.7339 148.151 -32.7521 100.362 33.8612 PRESSAVG: 4473800 23.0184 -30.3035 33.5021 -30.3035 10.1126 -3.20759 33.5021 -3.20765 -26.2206 GPRESSAVG: 4473800 23.3515 -29.5823 36.348 -29.0175 9.04702 -3.8406 33.1449 -4.2972 -25.6545 TIMING: 4473800 CPU: 13973.8, 0.00310474/step Wall: 13973.8, 0.00310474/step, 0.45381 hours remaining, 235.156250 MB of memory in use. ENERGY: 4473800 3998.2083 20569.1973 14441.2143 225.0458 -203473.4647 2714.0141 0.0000 0.0000 52229.3513 -109296.4334 300.1628 -161525.7848 -108932.8589 299.5186 89.2846 121.4436 761090.2524 2.3035 2.2480 PRESSURE: 4474000 13.5337 83.4742 -20.6318 83.4747 -45.1602 -76.0112 -20.6317 -76.0119 74.6071 GPRESSURE: 4474000 72.678 30.8468 50.3692 99.5693 -59.3639 18.7118 -6.674 75.4077 95.7438 PRESSAVG: 4474000 10.2311 14.9041 -7.07952 14.9041 -16.1555 44.7976 -7.07948 44.7975 2.64205 GPRESSAVG: 4474000 10.8267 16.4037 -6.84167 14.2688 -16.009 45.8948 -6.87877 45.5064 1.95777 TIMING: 4474000 CPU: 13974.4, 0.00310023/step Wall: 13974.4, 0.00310023/step, 0.452978 hours remaining, 235.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4474000 3952.3683 20620.0114 14464.9210 259.2658 -203146.1006 2417.4886 0.0000 0.0000 52115.9726 -109316.0728 299.5112 -161432.0455 -108952.7879 299.1870 14.3269 36.3526 760013.8558 -1.0941 -1.0748 PRESSURE: 4474200 144.581 -0.521053 -44.1722 -0.521045 -20.4229 19.5066 -44.1717 19.5055 4.74749 GPRESSURE: 4474200 205.867 53.0727 -109.085 -134.409 65.636 -21.278 16.5877 69.0615 -63.0857 PRESSAVG: 4474200 3.69278 5.7584 -47.628 5.7584 -11.8259 16.4697 -47.6279 16.4696 -11.5101 GPRESSAVG: 4474200 4.20066 5.58092 -49.6652 5.75906 -13.3307 17.5381 -46.3368 15.7237 -10.7449 TIMING: 4474200 CPU: 13975.1, 0.00312076/step Wall: 13975.1, 0.00312076/step, 0.455804 hours remaining, 235.156250 MB of memory in use. ENERGY: 4474200 3994.7825 20539.3526 14410.3389 221.7751 -203017.4162 2485.4780 0.0000 0.0000 52013.3543 -109352.3348 298.9215 -161365.6891 -108990.8608 299.6100 42.9685 69.4724 761491.9708 -6.5477 -6.6250 PRESSURE: 4474400 373.375 152.137 -164.343 152.138 -327.93 32.2179 -164.345 32.2176 -208.842 GPRESSURE: 4474400 362.717 140.6 -215.799 175.432 -200.993 51.0596 -124.418 -22.533 -221.681 PRESSAVG: 4474400 -29.3091 -12.434 22.4282 -12.434 10.2554 2.77422 22.4283 2.77418 -15.0758 GPRESSAVG: 4474400 -28.8838 -13.7649 24.9687 -13.9554 10.3254 1.66051 21.9031 2.37222 -15.5402 TIMING: 4474400 CPU: 13975.7, 0.00311732/step Wall: 13975.7, 0.00311732/step, 0.455129 hours remaining, 235.156250 MB of memory in use. ENERGY: 4474400 3901.6655 20607.8545 14434.8514 253.5481 -202799.3755 2495.8442 0.0000 0.0000 52051.7430 -109053.8687 299.1421 -161105.6117 -108691.2125 299.8368 -54.4658 -19.9855 761146.5246 -11.3765 -11.3662 PRESSURE: 4474600 56.5273 -169.238 -17.0152 -169.238 32.3044 2.61315 -17.0141 2.61382 -99.5018 GPRESSURE: 4474600 60.229 -167.649 -49.5031 -233.517 24.5437 4.27578 36.0947 -74.3956 -12.4247 PRESSAVG: 4474600 -15.9538 -33.8929 -36.8688 -33.8929 11.9603 25.0621 -36.8689 25.0621 12.9521 GPRESSAVG: 4474600 -15.8344 -32.8193 -38.6194 -32.9919 11.4117 23.8855 -37.2115 25.4263 13.3314 TIMING: 4474600 CPU: 13976.3, 0.00310035/step Wall: 13976.3, 0.00310035/step, 0.452479 hours remaining, 235.156250 MB of memory in use. ENERGY: 4474600 3989.4081 20639.8804 14433.8050 254.8954 -203098.5600 2522.7907 0.0000 0.0000 52283.8841 -108973.8962 300.4762 -161257.7803 -108608.0508 300.5453 -3.5567 24.1160 761698.5420 2.9862 2.9696 PRESSURE: 4474800 -447.872 94.3637 -172.359 94.3631 411.43 123.831 -172.359 123.831 133.435 GPRESSURE: 4474800 -343.834 125.517 -123.655 108.287 456.423 163.104 -80.5041 158.703 66.3696 PRESSAVG: 4474800 -13.9336 -5.63848 18.7468 -5.63851 25.3015 59.5042 18.7468 59.5043 -29.9337 GPRESSAVG: 4474800 -14.5388 -6.02066 18.5013 -3.53319 26.0655 59.624 18.542 61.1901 -29.9549 TIMING: 4474800 CPU: 13976.9, 0.00309784/step Wall: 13976.9, 0.00309784/step, 0.451941 hours remaining, 235.156250 MB of memory in use. ENERGY: 4474800 3982.4825 20565.5971 14517.8098 258.0997 -203180.6309 2479.4566 0.0000 0.0000 52288.4150 -109088.7702 300.5022 -161377.1852 -108718.5461 299.7384 32.3311 59.6531 760926.2415 -6.1886 -6.1427 PRESSURE: 4475000 -114.972 -41.5948 -237.666 -41.5949 22.1495 -155.23 -237.666 -155.23 19.7494 GPRESSURE: 4475000 -102.039 -93.7427 -180.378 67.9597 107.444 -164.416 -211.292 -243.841 -2.82303 PRESSAVG: 4475000 -13.5179 3.39103 -36.3693 3.39105 6.53438 15.3085 -36.3693 15.3085 0.158589 GPRESSAVG: 4475000 -13.0586 3.26325 -37.7591 3.67725 5.81926 15.572 -33.7062 12.4353 0.0737653 TIMING: 4475000 CPU: 13977.6, 0.00311813/step Wall: 13977.6, 0.00311813/step, 0.454728 hours remaining, 235.156250 MB of memory in use. ENERGY: 4475000 4029.9875 20680.9468 14466.8334 269.0302 -203089.1046 2382.7741 0.0000 0.0000 51818.1940 -109441.3385 297.7999 -161259.5326 -109091.6120 299.2008 -24.3575 0.8606 760238.7885 -2.2750 -2.3885 PRESSURE: 4475200 -45.4697 -117.877 -29.2559 -117.878 76.1305 -116.916 -29.256 -116.915 -154.536 GPRESSURE: 4475200 -13.5888 -140.524 -27.0857 -199.974 103.216 -172.835 -63.6308 -124.217 -134.824 PRESSAVG: 4475200 -31.4768 -74.9577 20.0611 -74.9577 53.618 48.1427 20.0611 48.1426 -4.25292 GPRESSAVG: 4475200 -32.1381 -72.1997 21.8195 -77.7141 54.3798 49.8043 18.6225 49.2776 -4.20834 TIMING: 4475200 CPU: 13978.2, 0.00308986/step Wall: 13978.2, 0.00308986/step, 0.450433 hours remaining, 235.140625 MB of memory in use. ENERGY: 4475200 3935.1693 20535.1013 14429.4436 236.4594 -203009.4583 2371.9834 0.0000 0.0000 52071.9390 -109429.3621 299.2581 -161501.3011 -109059.6810 298.7555 -41.2917 -15.0655 761813.8721 5.9628 6.0111 PRESSURE: 4475400 -185.333 -202.301 270.527 -202.302 -294.758 71.3329 270.528 71.3337 -306.869 GPRESSURE: 4475400 -115.994 -73.4617 211.036 -239.534 -283.075 45.5446 158.831 147.729 -308.841 PRESSAVG: 4475400 -28.4673 -5.7294 -2.21939 -5.72941 -2.23595 -7.31001 -2.21938 -7.30993 -11.7341 GPRESSAVG: 4475400 -28.6013 -7.13751 -2.18928 -4.5096 -2.79783 -9.14805 -1.88679 -5.27709 -11.7362 TIMING: 4475400 CPU: 13978.8, 0.00307888/step Wall: 13978.8, 0.00307888/step, 0.448661 hours remaining, 235.140625 MB of memory in use. ENERGY: 4475400 3956.5525 20592.5485 14531.2792 248.8589 -203162.3834 2282.6947 0.0000 0.0000 52060.0922 -109490.3573 299.1901 -161550.4495 -109134.5188 298.4077 -262.3201 -235.9702 760645.2881 -14.1458 -14.3784 PRESSURE: 4475600 -458.004 1.4652 -106.931 1.46509 -435.088 221.635 -106.931 221.635 -147.568 GPRESSURE: 4475600 -410.707 -49.829 -108.398 42.3469 -400.055 298.333 -80.929 114.53 -117.408 PRESSAVG: 4475600 -13.9998 -33.2344 -61.567 -33.2344 10.4162 36.2685 -61.567 36.2685 -15.3174 GPRESSAVG: 4475600 -13.4714 -33.8903 -62.1757 -31.574 10.8432 38.3526 -62.2258 33.1335 -16.3777 TIMING: 4475600 CPU: 13979.4, 0.00309779/step Wall: 13979.4, 0.00309779/step, 0.451245 hours remaining, 235.156250 MB of memory in use. ENERGY: 4475600 4046.0684 20547.3515 14460.5205 235.5161 -203019.4339 2267.6257 0.0000 0.0000 51855.9572 -109606.3945 298.0169 -161462.3516 -109245.6329 298.7764 -346.8866 -309.3901 761852.5024 -6.3003 -6.3353 PRESSURE: 4475800 -217.234 51.4564 70.1412 51.4568 -319.742 131.58 70.1409 131.58 -313.532 GPRESSURE: 4475800 -168.013 128.746 125.987 15.0347 -316.448 -42.1131 -18.1703 181.652 -277.694 PRESSAVG: 4475800 -34.2143 -36.3291 29.3652 -36.3291 46.6273 16.8672 29.3652 16.8672 -4.58611 GPRESSAVG: 4475800 -35.242 -34.547 31.3851 -38.3224 46.1809 15.0263 28.1153 18.4259 -2.96662 TIMING: 4475800 CPU: 13980, 0.00309085/step Wall: 13980, 0.00309085/step, 0.450062 hours remaining, 235.156250 MB of memory in use. ENERGY: 4475800 4019.0933 20599.0084 14428.3545 253.5091 -203068.7198 2386.9844 0.0000 0.0000 51791.7201 -109590.0501 297.6477 -161381.7701 -109230.3309 298.5002 -283.5027 -254.0517 761656.9130 2.6090 2.6574 PRESSURE: 4476000 242.358 -45.3544 74.6798 -45.3542 137.426 -162.952 74.6798 -162.952 162.775 GPRESSURE: 4476000 256.763 -65.4178 70.8287 -126.936 253.386 -207.958 -44.7374 43.7251 125.938 PRESSAVG: 4476000 -115.92 -3.97284 -21.3209 -3.97289 69.5327 27.4425 -21.3209 27.4425 3.28781 GPRESSAVG: 4476000 -115.04 -5.57547 -22.3676 -3.94789 71.0555 28.0925 -21.5609 26.7742 1.56305 TIMING: 4476000 CPU: 13980.6, 0.00308413/step Wall: 13980.6, 0.00308413/step, 0.448912 hours remaining, 235.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4476000 3988.9839 20503.0311 14535.4356 255.6017 -203626.4813 2720.5560 0.0000 0.0000 52279.8219 -109343.0512 300.4529 -161622.8730 -108980.6250 299.0009 180.8532 212.0293 761684.6635 -14.3665 -14.1406 PRESSURE: 4476200 30.6194 26.6998 -43.1994 26.6995 14.7863 -21.2365 -43.1992 -21.2363 -97.8517 GPRESSURE: 4476200 171.029 -44.9661 -34.1069 15.6302 -20.4866 37.9641 -38.1294 118.204 -106.814 PRESSAVG: 4476200 -8.16507 -64.3447 59.3972 -64.3447 5.95942 46.4497 59.3971 46.4497 9.6852 GPRESSAVG: 4476200 -7.92287 -64.8783 58.1842 -62.518 6.4817 45.7364 61.8295 48.3038 9.20761 TIMING: 4476200 CPU: 13981.3, 0.00311247/step Wall: 13981.3, 0.00311247/step, 0.452865 hours remaining, 235.156250 MB of memory in use. ENERGY: 4476200 4020.5920 20555.7854 14429.6700 254.8108 -203613.8995 2833.6846 0.0000 0.0000 52248.8694 -109270.4872 300.2750 -161519.3566 -108896.6462 299.6193 -17.4820 14.5764 761811.1725 2.4932 2.5888 LDB: ============= START OF LOAD BALANCING ============== 13993.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13993.7 LDB: =============== DONE WITH MIGRATION ================ 13993.7 LDB: ============= START OF LOAD BALANCING ============== 13994.1 LDB: Largest compute 7028 load 0.031901 is 16.3% of average load 0.195306 LDB: Average compute 0.004413 is 2.3% of average load 0.195306 LDB: TIME 13994.1 LOAD: AVG 0.195306 MAX 0.218367 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.254 MB LDB: TIME 13994.1 LOAD: AVG 0.195306 MAX 0.218367 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.457 MB LDB: TIME 13994.1 LOAD: AVG 0.195306 MAX 0.215942 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.457 MB LDB: ============== END OF LOAD BALANCING =============== 13994.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13994.1 PRESSURE: 4476400 -289.458 -284.478 216.276 -284.479 58.62 317.862 216.276 317.862 251.65 GPRESSURE: 4476400 -216.489 -285.955 159.995 -253.929 119.146 252.972 210.692 189.335 186.251 PRESSAVG: 4476400 -60.0924 -47.0947 26.1778 -47.0947 65.644 54.5495 26.1778 54.5495 -13.6897 GPRESSAVG: 4476400 -58.6544 -46.11 26.2086 -49.8065 63.8762 54.2472 26.4095 53.603 -13.4723 TIMING: 4476400 CPU: 13981.9, 0.0031686/step Wall: 13981.9, 0.0031686/step, 0.460855 hours remaining, 234.316406 MB of memory in use. ENERGY: 4476400 3988.4277 20557.9360 14497.5765 244.4745 -203627.2057 2684.9324 0.0000 0.0000 52317.2103 -109336.6483 300.6677 -161653.8585 -108979.8289 299.4694 6.9374 29.6362 760892.1040 -2.7127 -2.7502 PRESSURE: 4476600 24.6887 -51.5697 234.936 -51.5695 99.3479 31.1197 234.936 31.1196 -62.3926 GPRESSURE: 4476600 121.968 -52.6257 282.504 -72.8822 62.2447 66.9999 97.4655 36.3539 -32.802 PRESSAVG: 4476600 -54.2903 -72.2473 10.8894 -72.2472 87.5867 59.9576 10.8894 59.9576 26.5957 GPRESSAVG: 4476600 -55.2783 -71.1744 12.1184 -70.8573 88.7967 60.1025 9.18889 59.5347 26.9204 TIMING: 4476600 CPU: 13982.5, 0.00310718/step Wall: 13982.5, 0.00310718/step, 0.451749 hours remaining, 234.316406 MB of memory in use. ENERGY: 4476600 4024.0995 20657.1924 14358.2044 237.7851 -203142.7623 2580.9740 0.0000 0.0000 52046.5192 -109237.9878 299.1121 -161284.5070 -108874.6866 299.5192 20.5480 50.4703 761562.3389 19.9640 20.1463 PRESSURE: 4476800 -87.9129 96.6755 20.2907 96.6751 93.5002 -171.26 20.2914 -171.261 -35.7546 GPRESSURE: 4476800 -94.4564 0.28307 65.0904 97.0861 65.3436 -186.872 51.6951 -163.247 86.3293 PRESSAVG: 4476800 -49.3904 -56.9407 -23.9839 -56.9407 30.6929 13.4022 -23.9839 13.4023 -11.6338 GPRESSAVG: 4476800 -49.7379 -58.5006 -23.0654 -56.7525 29.452 14.4107 -25.0704 14.8082 -9.9812 TIMING: 4476800 CPU: 13983.1, 0.00310517/step Wall: 13983.1, 0.00310517/step, 0.451285 hours remaining, 234.316406 MB of memory in use. ENERGY: 4476800 4051.8179 20595.1468 14405.5253 262.4542 -203133.8806 2435.2471 0.0000 0.0000 52154.4694 -109229.2200 299.7325 -161383.6893 -108869.3191 299.5906 -10.0558 19.0721 760729.6465 -10.1104 -10.0890 PRESSURE: 4477000 -224.604 -41.0317 19.2999 -41.0323 -124.995 -69.0288 19.2998 -69.0285 42.7754 GPRESSURE: 4477000 -198.365 1.77001 -11.1291 0.455026 -60.9569 -84.3469 53.0722 -77.6225 39.0583 PRESSAVG: 4477000 -8.82007 -5.08288 -26.0564 -5.08293 9.96311 1.97163 -26.0564 1.97158 -11.4274 GPRESSAVG: 4477000 -9.34923 -3.81221 -26.8505 -6.14157 11.3381 0.545301 -24.136 0.806037 -12.4284 TIMING: 4477000 CPU: 13983.8, 0.0030978/step Wall: 13983.8, 0.0030978/step, 0.450042 hours remaining, 234.507812 MB of memory in use. ENERGY: 4477000 4066.9872 20747.1584 14463.9353 239.6911 -203316.4249 2573.3394 0.0000 0.0000 52025.0797 -109200.2339 298.9888 -161225.3136 -108836.7119 299.3484 -102.2746 -73.4212 761891.1892 -3.4281 -3.4798 PRESSURE: 4477200 -350.553 -39.908 65.1749 -39.9079 143.478 133.143 65.1757 133.144 -287.737 GPRESSURE: 4477200 -185.081 32.7773 77.9796 -28.2091 46.4855 147.74 144.977 39.6039 -252.442 PRESSAVG: 4477200 -49.6254 72.2483 -22.1064 72.2482 70.7125 -28.5056 -22.1065 -28.5055 -5.1054 GPRESSAVG: 4477200 -49.7427 72.7101 -23.196 71.6393 69.9662 -26.563 -20.708 -29.9582 -4.4864 TIMING: 4477200 CPU: 13984.4, 0.00313032/step Wall: 13984.4, 0.00313032/step, 0.454592 hours remaining, 234.574219 MB of memory in use. ENERGY: 4477200 4053.7858 20542.8157 14503.6612 242.7065 -202916.2965 2626.4148 0.0000 0.0000 51827.3083 -109119.6042 297.8523 -160946.9125 -108768.2760 299.7390 -164.9376 -130.3459 763746.3983 5.3272 5.2457 PRESSURE: 4477400 301.35 -100.882 -11.3091 -100.882 176.058 156.68 -11.3091 156.681 -31.9575 GPRESSURE: 4477400 260.301 34.8092 15.5885 -129.126 254.803 143.594 196.932 171.479 20.623 PRESSAVG: 4477400 -65.8741 -20.4999 63.5754 -20.5 49.7036 -30.0982 63.5754 -30.0982 -2.2953 GPRESSAVG: 4477400 -64.7351 -23.0686 65.1138 -18.29 50.7338 -32.4831 62.3075 -27.6119 -4.14449 TIMING: 4477400 CPU: 13985, 0.00311792/step Wall: 13985, 0.00311792/step, 0.452618 hours remaining, 234.585938 MB of memory in use. ENERGY: 4477400 3976.6857 20431.3559 14550.7065 244.2926 -203198.6341 2678.9095 0.0000 0.0000 52280.6913 -109035.9926 300.4579 -161316.6839 -108671.5184 299.7914 148.4834 178.5754 762345.1466 -6.1553 -6.0486 PRESSURE: 4477600 -13.3071 169.441 -51.5081 169.441 -122.332 -196.757 -51.5083 -196.758 128.899 GPRESSURE: 4477600 -97.9249 53.0961 -71.2034 262.168 7.36755 -189.149 -76.323 -224.402 178.211 PRESSAVG: 4477600 44.0142 -0.0508839 26.4698 -0.0508341 25.2791 -35.3277 26.4699 -35.3277 -10.8528 GPRESSAVG: 4477600 42.972 1.68143 26.0851 -0.0795981 25.5758 -35.4866 27.2272 -35.9272 -10.4337 TIMING: 4477600 CPU: 13985.6, 0.00310391/step Wall: 13985.6, 0.00310391/step, 0.450412 hours remaining, 234.585938 MB of memory in use. ENERGY: 4477600 3989.7491 20553.7130 14464.2002 237.7180 -203299.3946 2903.1591 0.0000 0.0000 52210.6881 -108940.1672 300.0555 -161150.8553 -108571.9591 300.1066 -2.2466 29.2181 761775.9571 19.4802 19.3714 PRESSURE: 4477800 -37.881 -6.03209 -59.5701 -6.03222 154.584 -63.7558 -59.5708 -63.7553 -9.75218 GPRESSURE: 4477800 -50.295 41.2549 -59.8236 -71.6032 256.853 22.6513 61.0259 -115.758 16.0961 PRESSAVG: 4477800 15.0864 31.5705 -1.85811 31.5706 37.0538 -10.4928 -1.85806 -10.4928 -4.56599 GPRESSAVG: 4477800 16.0842 29.5912 -1.32525 31.3614 36.2683 -10.1725 -3.11919 -10.7315 -4.23133 TIMING: 4477800 CPU: 13986.2, 0.00309259/step Wall: 13986.2, 0.00309259/step, 0.448598 hours remaining, 234.585938 MB of memory in use. ENERGY: 4477800 4010.3555 20541.5215 14465.8879 248.5845 -203718.5341 2937.9772 0.0000 0.0000 52524.4476 -108989.7599 301.8587 -161514.2075 -108617.7320 300.2787 35.6504 74.2182 761965.4571 15.8581 16.0404 PRESSURE: 4478000 187.699 53.506 50.6493 53.5057 -41.3534 -283.209 50.6487 -283.21 27.3872 GPRESSURE: 4478000 211.763 25.2624 82.8772 -65.742 49.7821 -202.156 -39.2199 -219.586 12.8793 PRESSAVG: 4478000 17.6828 -48.2861 59.8789 -48.286 -12.1729 42.6937 59.8789 42.6937 -1.9646 GPRESSAVG: 4478000 17.6918 -46.8512 58.7011 -47.8988 -12.4152 43.4413 61.7274 43.1683 -1.67815 TIMING: 4478000 CPU: 13986.9, 0.0031023/step Wall: 13986.9, 0.0031023/step, 0.449834 hours remaining, 234.585938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4478000 4041.2554 20544.3087 14519.6942 251.6664 -203125.6726 2576.8911 0.0000 0.0000 52070.7376 -109121.1193 299.2512 -161191.8569 -108748.6666 299.7074 57.9108 91.4747 763577.3290 1.1818 1.1995 PRESSURE: 4478200 -152.718 -70.0042 282.552 -70.0039 178.988 -44.2174 282.552 -44.2179 60.6203 GPRESSURE: 4478200 -155.051 -13.7071 380.707 -109.291 287.003 -17.6641 73.2619 -13.8225 43.4844 PRESSAVG: 4478200 30.8613 -39.9836 5.11384 -39.9835 -75.4176 1.18051 5.11389 1.18048 -23.4772 GPRESSAVG: 4478200 30.9127 -36.7695 5.77162 -41.437 -75.1895 2.23198 2.49687 -0.508492 -23.6823 TIMING: 4478200 CPU: 13987.5, 0.00310046/step Wall: 13987.5, 0.00310046/step, 0.449394 hours remaining, 234.585938 MB of memory in use. ENERGY: 4478200 4019.2748 20496.3115 14500.9939 249.3599 -202897.4496 2229.4206 0.0000 0.0000 52222.6421 -109179.4469 300.1242 -161402.0890 -108813.9734 299.6124 28.9636 58.4786 762380.5116 -22.6778 -22.6531 PRESSURE: 4478400 -91.4315 141.652 62.9483 141.653 -273.827 285.506 62.9488 285.506 -407.529 GPRESSURE: 4478400 -37.3735 124.749 107.071 51.8652 -316.43 364.056 133.587 198.667 -333.432 PRESSAVG: 4478400 -17.8171 24.1824 11.9491 24.1824 -7.3557 60.3797 11.9491 60.3797 10.0161 GPRESSAVG: 4478400 -18.3894 22.3373 13.4134 23.3631 -7.67493 58.8606 11.9349 61.1323 10.1521 TIMING: 4478400 CPU: 13988.1, 0.00309198/step Wall: 13988.1, 0.00309198/step, 0.447993 hours remaining, 234.585938 MB of memory in use. ENERGY: 4478400 4017.7070 20686.5071 14533.0730 228.1193 -202721.5818 2104.0841 0.0000 0.0000 51857.0916 -109294.9997 298.0234 -161152.0913 -108940.1760 299.8895 -257.5958 -229.0784 761300.0627 -5.0522 -5.3041 PRESSURE: 4478600 -94.9749 -171.304 -3.67897 -171.304 196.148 31.9856 -3.67957 31.9849 84.0745 GPRESSURE: 4478600 -10.6581 -121.729 -21.8957 -121.537 207.617 -69.7572 114.871 16.8954 92.1127 PRESSAVG: 4478600 15.2127 -28.4416 91.7149 -28.4416 25.6294 -0.746455 91.7149 -0.746432 7.41544 GPRESSAVG: 4478600 16.2296 -28.6976 90.9412 -29.2273 26.1218 0.228535 92.3093 -2.31688 6.47437 TIMING: 4478600 CPU: 13988.7, 0.00309447/step Wall: 13988.7, 0.00309447/step, 0.448183 hours remaining, 234.585938 MB of memory in use. ENERGY: 4478600 3961.7989 20552.2429 14475.3539 240.5578 -203408.3468 2820.6506 0.0000 0.0000 52134.6049 -109223.1379 299.6183 -161357.7427 -108859.9371 299.7468 61.7491 96.3571 759698.4050 16.0859 16.2752 PRESSURE: 4478800 -7.33527 -146.752 286.486 -146.752 -264.225 -35.1597 286.485 -35.1594 192.052 GPRESSURE: 4478800 -58.2149 -191.708 199.981 -155.756 -179.716 41.6479 291.966 49.6524 237.582 PRESSAVG: 4478800 -44.542 8.61278 21.5148 8.6128 78.0013 33.8476 21.5148 33.8476 -7.47426 GPRESSAVG: 4478800 -45.5774 7.95567 19.9245 9.16646 78.1906 34.9942 21.6082 35.0629 -6.66457 TIMING: 4478800 CPU: 13989.3, 0.00311405/step Wall: 13989.3, 0.00311405/step, 0.450846 hours remaining, 234.585938 MB of memory in use. ENERGY: 4478800 4010.8725 20518.2550 14478.0481 231.1506 -203194.8696 2451.7600 0.0000 0.0000 52283.6767 -109221.1066 300.4750 -161504.7833 -108839.9821 299.5490 -26.5029 -0.1164 761434.0170 8.6617 8.6495 PRESSURE: 4479000 29.4728 187.848 140.111 187.848 210.42 88.5982 140.111 88.5985 148.509 GPRESSURE: 4479000 72.8811 118.615 47.6097 122.788 184.902 64.1655 187.97 157.359 215.406 PRESSAVG: 4479000 14.7134 -13.8933 50.7875 -13.8934 5.04924 3.1121 50.7875 3.11214 -1.14746 GPRESSAVG: 4479000 15.1388 -15.8383 51.1589 -12.2917 4.40136 -0.268458 51.0583 2.82345 -0.74251 TIMING: 4479000 CPU: 13990, 0.00313943/step Wall: 13990, 0.00313943/step, 0.454345 hours remaining, 234.585938 MB of memory in use. ENERGY: 4479000 3951.5402 20508.0585 14490.1863 260.9369 -202923.7307 2499.0066 0.0000 0.0000 52067.7015 -109146.3008 299.2338 -161214.0022 -108782.6473 299.6384 129.4673 157.7296 760975.2946 6.2051 6.2659 PRESSURE: 4479200 105.412 -99.8389 95.3541 -99.839 -76.8702 -144.047 95.3545 -144.047 447.367 GPRESSURE: 4479200 121.723 -183.74 119.352 -44.5213 -1.86539 -191.294 189.733 -100.153 421.093 PRESSAVG: 4479200 -1.66302 26.724 -6.49874 26.724 16.696 60.8223 -6.4988 60.8223 14.8536 GPRESSAVG: 4479200 -2.52958 26.9169 -6.2764 25.4162 17.9185 63.0557 -7.51627 64.0716 14.3267 TIMING: 4479200 CPU: 13990.6, 0.00310181/step Wall: 13990.6, 0.00310181/step, 0.448729 hours remaining, 234.585938 MB of memory in use. ENERGY: 4479200 3951.1094 20481.1636 14498.6772 259.2683 -203293.2454 2805.9657 0.0000 0.0000 52181.8454 -109115.2158 299.8898 -161297.0612 -108764.4016 299.5796 158.6362 180.3167 762498.0350 9.9622 9.9052 PRESSURE: 4479400 -255.991 -93.1266 -20.2233 -93.1265 -54.4458 164.806 -20.2234 164.806 11.4185 GPRESSURE: 4479400 -98.6277 -171.585 -57.4717 -147.115 -72.256 85.8455 44.9666 122.814 -26.0249 PRESSAVG: 4479400 -39.6788 -50.9534 -8.30928 -50.9534 3.24644 11.9883 -8.30922 11.9884 17.4965 GPRESSAVG: 4479400 -39.6589 -49.4898 -11.0575 -49.2983 2.59611 12.0851 -6.22693 8.72812 17.5433 TIMING: 4479400 CPU: 13991.2, 0.0031132/step Wall: 13991.2, 0.0031132/step, 0.450203 hours remaining, 234.585938 MB of memory in use. ENERGY: 4479400 3998.3346 20529.1064 14523.0628 238.2203 -203503.5647 2848.1049 0.0000 0.0000 52173.0653 -109193.6704 299.8393 -161366.7357 -108834.3608 299.8453 -99.6726 -65.6362 761978.3991 -6.3119 -6.5065 PRESSURE: 4479600 -255.196 -69.6135 -125.023 -69.6144 -165.037 -43.0379 -125.023 -43.0378 219.152 GPRESSURE: 4479600 -193.581 27.8095 -130.83 -68.5589 -66.4717 -20.4353 -194.267 1.01089 165.436 PRESSAVG: 4479600 -35.2911 -38.8777 75.0089 -38.8777 42.3748 106.153 75.0089 106.154 -15.8111 GPRESSAVG: 4479600 -35.5644 -39.24 76.5709 -40.0876 42.5729 104.781 74.0673 107.021 -15.5002 TIMING: 4479600 CPU: 13991.8, 0.00310546/step Wall: 13991.8, 0.00310546/step, 0.448912 hours remaining, 234.585938 MB of memory in use. ENERGY: 4479600 4019.1710 20522.5668 14521.9132 235.4482 -203399.3380 2782.4127 0.0000 0.0000 51956.4784 -109361.3477 298.5946 -161317.8261 -108995.3165 299.7051 -67.0270 -31.5390 761582.9889 -2.9091 -2.8306 PRESSURE: 4479800 -312.088 -135.036 209.133 -135.036 -440.968 56.7424 209.133 56.7417 -28.607 GPRESSURE: 4479800 -287.756 -139.984 125.903 -99.1331 -336.718 45.0584 170.256 139.391 -72.9341 PRESSAVG: 4479800 -32.9064 -33.9894 39.4714 -33.9894 12.7359 -5.65564 39.4714 -5.65574 -0.886715 GPRESSAVG: 4479800 -32.792 -33.5732 40.5092 -32.2135 13.7416 -4.48191 36.7601 -5.70059 -1.58998 TIMING: 4479800 CPU: 13992.5, 0.00309347/step Wall: 13992.5, 0.00309348/step, 0.447007 hours remaining, 234.585938 MB of memory in use. ENERGY: 4479800 3987.2639 20520.4469 14472.7664 257.3343 -203438.4099 2456.0018 0.0000 0.0000 52107.8368 -109636.7599 299.4645 -161744.5967 -109273.9476 298.8670 -260.5543 -232.4695 762606.0235 -7.0191 -6.8801 PRESSURE: 4480000 -162.794 -29.5866 66.3793 -29.5864 -182.879 130.603 66.3789 130.603 -232.938 GPRESSURE: 4480000 -92.5743 -124 71.9163 -82.3521 -217.335 199.947 41.7987 134.548 -186.087 PRESSAVG: 4480000 -34.9874 -72.8275 27.1644 -72.8275 35.433 19.2535 27.1644 19.2535 6.09889 GPRESSAVG: 4480000 -34.3145 -72.7781 29.2821 -74.4168 34.228 17.6769 28.7228 21.1603 6.32534 TIMING: 4480000 CPU: 13993.1, 0.00308502/step Wall: 13993.1, 0.00308502/step, 0.445613 hours remaining, 234.585938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4480000 3960.0217 20490.9847 14449.7368 265.6011 -203733.7301 2712.3933 0.0000 0.0000 52022.9416 -109832.0509 298.9766 -161854.9925 -109483.9476 298.7491 -192.8702 -165.3323 761896.7139 2.1815 2.0796 PRESSURE: 4480200 -311.311 -183.559 162.064 -183.56 -4.59236 -13.3948 162.065 -13.3944 -393.203 GPRESSURE: 4480200 -255.918 -160.545 208.302 -179.941 11.5282 -47.1281 195.365 132.141 -348.473 PRESSAVG: 4480200 -30.8579 -45.7068 28.6745 -45.7067 52.8751 -10.9631 28.6745 -10.963 27.0742 GPRESSAVG: 4480200 -30.0481 -45.745 26.7263 -46.51 53.5944 -9.20273 27.6467 -11.8136 25.6346 TIMING: 4480200 CPU: 13993.7, 0.00310231/step Wall: 13993.7, 0.00310231/step, 0.447939 hours remaining, 234.585938 MB of memory in use. ENERGY: 4480200 4085.2314 20581.9517 14554.8333 238.9399 -203761.5413 2713.0615 0.0000 0.0000 51978.3474 -109609.1762 298.7203 -161587.5236 -109244.3151 298.8738 -236.3688 -197.6212 761627.8424 16.3638 16.3936 LDB: ============= START OF LOAD BALANCING ============== 14006.2 LDB: ============== END OF LOAD BALANCING =============== 14006.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14006.2 LDB: ============= START OF LOAD BALANCING ============== 14006.5 LDB: Largest compute 7037 load 0.032192 is 16.5% of average load 0.195149 LDB: Average compute 0.004418 is 2.3% of average load 0.195149 LDB: TIME 14006.5 LOAD: AVG 0.195149 MAX 0.215957 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.117 MB LDB: TIME 14006.5 LOAD: AVG 0.195149 MAX 0.215957 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.316 MB LDB: TIME 14006.5 LOAD: AVG 0.195149 MAX 0.215957 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.316 MB LDB: ============== END OF LOAD BALANCING =============== 14006.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14006.5 PRESSURE: 4480400 -10.4706 -213.376 -9.85733 -213.375 153.526 -29.5195 -9.85654 -29.5204 79.4574 GPRESSURE: 4480400 -21.2721 10.3558 -83.1837 -229.445 190.931 -56.953 -74.7675 -165.604 132.999 PRESSAVG: 4480400 -39.9332 -66.0082 32.3091 -66.0081 29.9529 51.5808 32.3091 51.5808 -1.431 GPRESSAVG: 4480400 -40.1325 -64.8538 30.8288 -66.3064 29.0112 49.891 34.468 51.5616 -0.758747 TIMING: 4480400 CPU: 13994.3, 0.00318831/step Wall: 13994.3, 0.00318831/step, 0.460179 hours remaining, 234.058594 MB of memory in use. ENERGY: 4480400 3987.7533 20453.5528 14480.9517 240.6384 -203629.4489 2764.4223 0.0000 0.0000 52136.6903 -109565.4401 299.6303 -161702.1303 -109194.8845 298.8968 74.1709 100.8858 761457.2778 -3.8038 -3.9600 PRESSURE: 4480600 166.693 -132.102 -116.322 -132.101 157.627 280.791 -116.322 280.791 208.235 GPRESSURE: 4480600 146.765 -87.8254 -193.524 -27.7872 246.339 285.394 -174.957 171.134 242.384 PRESSAVG: 4480600 -15.0007 8.71571 2.58765 8.71572 33.2549 23.9346 2.5877 23.9346 -10.8734 GPRESSAVG: 4480600 -16.416 8.62461 3.81137 10.5865 34.3484 23.364 1.59707 25.0463 -10.9172 TIMING: 4480600 CPU: 13995, 0.00311807/step Wall: 13995, 0.00311807/step, 0.449869 hours remaining, 234.117188 MB of memory in use. ENERGY: 4480600 4057.3761 20649.8281 14447.7778 238.9595 -203262.6872 2491.7861 0.0000 0.0000 51750.1238 -109626.8357 297.4087 -161376.9595 -109264.9756 298.6381 177.5185 211.8294 761888.2503 2.4603 2.3384 PRESSURE: 4480800 -184.971 -203.329 -111.95 -203.331 -282.507 -94.9974 -111.949 -94.998 -79.7526 GPRESSURE: 4480800 -114.984 -258.924 -52.8684 -96.9438 -240.866 -201.977 -174.719 11.2156 -97.8606 PRESSAVG: 4480800 11.6439 -51.1099 9.49145 -51.1099 47.3575 6.90818 9.49152 6.90831 -2.84151 GPRESSAVG: 4480800 12.1805 -52.2209 9.34964 -53.2669 46.0376 8.63512 10.4061 4.97128 -1.63126 TIMING: 4480800 CPU: 13995.6, 0.00310933/step Wall: 13995.6, 0.00310933/step, 0.448434 hours remaining, 234.183594 MB of memory in use. ENERGY: 4480800 3987.7343 20437.9198 14497.1134 253.9903 -202981.3156 2253.9245 0.0000 0.0000 51893.5545 -109657.0788 298.2330 -161550.6333 -109293.2470 299.0671 -182.4101 -151.2368 762757.4700 18.7200 18.8623 PRESSURE: 4481000 -81.5629 -8.18765 121.119 -8.18754 40.2113 -233.245 121.119 -233.245 -26.8263 GPRESSURE: 4481000 -24.6604 -37.7172 149.369 -40.4109 -60.8001 -280.973 152.973 -209.652 84.7434 PRESSAVG: 4481000 -11.125 -96.2029 58.7052 -96.2029 26.81 -32.0542 58.7052 -32.0542 -11.285 GPRESSAVG: 4481000 -11.487 -96.0015 57.9418 -94.7074 27.2646 -34.0407 59.3437 -31.3855 -11.145 TIMING: 4481000 CPU: 13996.2, 0.00311093/step Wall: 13996.2, 0.00311093/step, 0.448493 hours remaining, 234.183594 MB of memory in use. ENERGY: 4481000 3965.8052 20625.6076 14515.8429 243.7109 -203331.0259 2411.4804 0.0000 0.0000 52173.0874 -109395.4916 299.8395 -161568.5790 -109039.6210 299.5016 -22.7260 -0.2390 761041.1539 1.4667 1.5442 PRESSURE: 4481200 161.111 96.8349 44.4977 96.8355 -112.969 -97.3933 44.4972 -97.3928 432.502 GPRESSURE: 4481200 208.328 78.4749 4.67961 76.815 -52.5716 -115.672 -16.9541 -48.0071 397.463 PRESSAVG: 4481200 -99.135 -1.84746 33.7519 -1.84747 66.7125 -33.3397 33.7518 -33.3397 -16.671 GPRESSAVG: 4481200 -98.5519 -1.18949 33.3162 -0.73072 65.818 -32.7878 33.505 -34.1128 -16.724 TIMING: 4481200 CPU: 13996.8, 0.0031061/step Wall: 13996.8, 0.0031061/step, 0.447623 hours remaining, 234.183594 MB of memory in use. ENERGY: 4481200 3983.9431 20666.2144 14437.9967 254.7822 -203264.8692 2685.6494 0.0000 0.0000 51801.1042 -109435.1792 297.7017 -161236.2834 -109072.8258 299.0114 160.2144 184.4063 761701.8128 -16.3645 -16.4860 PRESSURE: 4481400 -302.17 96.163 39.707 96.1623 309.505 171.505 39.707 171.504 300.359 GPRESSURE: 4481400 -203.105 74.0366 23.7944 76.0914 354.64 130.363 92.8722 207.419 225.72 PRESSAVG: 4481400 -9.29903 -7.96098 -19.8584 -7.96097 33.0031 9.47335 -19.8584 9.47339 -6.00805 GPRESSAVG: 4481400 -8.54945 -8.2577 -18.2741 -11.0385 34.3573 12.3055 -19.3849 6.98546 -7.99105 TIMING: 4481400 CPU: 13997.4, 0.00310501/step Wall: 13997.4, 0.00310501/step, 0.447293 hours remaining, 234.183594 MB of memory in use. ENERGY: 4481400 3905.1119 20678.7207 14571.7669 256.7954 -203388.3310 2610.8985 0.0000 0.0000 51988.3228 -109376.7148 298.7776 -161365.0376 -109018.9142 298.9324 102.5646 125.7518 760548.9631 5.8987 5.9390 PRESSURE: 4481600 83.7513 -75.2433 6.80785 -75.2429 -147.667 -370.889 6.80783 -370.889 -66.2037 GPRESSURE: 4481600 8.80599 -10.9548 80.2278 -124.729 -78.1946 -306.087 18.199 -338.178 28.1918 PRESSAVG: 4481600 3.1637 -56.6564 17.8618 -56.6564 24.5121 41.8209 17.8617 41.8208 8.89289 GPRESSAVG: 4481600 1.26638 -57.3307 17.1051 -57.1976 24.3813 40.9176 19.2601 44.3578 10.3326 TIMING: 4481600 CPU: 13998.1, 0.00309737/step Wall: 13998.1, 0.00309737/step, 0.446022 hours remaining, 234.183594 MB of memory in use. ENERGY: 4481600 3928.0046 20516.1062 14501.3089 252.1436 -203380.1877 2587.8240 0.0000 0.0000 52249.9967 -109344.8037 300.2814 -161594.8004 -108987.2683 299.5017 -43.3731 -13.7323 760474.6156 12.1896 11.9934 PRESSURE: 4481800 -398.04 13.8258 -52.1312 13.8268 -49.9482 47.8253 -52.1314 47.8253 93.0334 GPRESSURE: 4481800 -362.285 42.6847 -126.829 -52.6895 -137.028 4.3585 -75.9351 -2.44115 219.075 PRESSAVG: 4481800 -20.8565 -40.4558 -7.98675 -40.4557 34.477 -35.8204 -7.9868 -35.8204 -10.8904 GPRESSAVG: 4481800 -20.5645 -40.7447 -8.78501 -37.5648 34.3141 -38.2453 -9.04171 -36.7251 -11.6663 TIMING: 4481800 CPU: 13998.7, 0.00311135/step Wall: 13998.7, 0.00311135/step, 0.447861 hours remaining, 234.183594 MB of memory in use. ENERGY: 4481800 3942.3205 20412.8516 14490.8948 238.4233 -202966.2640 2353.7978 0.0000 0.0000 52113.6858 -109414.2903 299.4981 -161527.9761 -109046.1660 299.5911 -118.3182 -93.4125 763368.4214 0.9100 0.6944 PRESSURE: 4482000 -37.198 -80.0945 223.606 -80.0947 51.4959 54.7728 223.606 54.7728 455.158 GPRESSURE: 4482000 50.5049 -99.8157 144.01 -172.715 135.274 -31.147 184.531 67.6579 362.262 PRESSAVG: 4482000 -43.9864 -53.9466 -27.159 -53.9466 -7.9635 -10.8473 -27.159 -10.8473 -10.9343 GPRESSAVG: 4482000 -44.3363 -53.5089 -24.7787 -57.4261 -7.65109 -10.4195 -30.7476 -9.67662 -10.4596 TIMING: 4482000 CPU: 13999.3, 0.00310649/step Wall: 13999.3, 0.00310649/step, 0.446989 hours remaining, 234.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4482000 4071.4161 20538.3429 14536.1520 238.0487 -203417.5383 2652.1094 0.0000 0.0000 51980.0834 -109401.3858 298.7303 -161381.4692 -109043.5624 299.0312 156.4852 182.6803 760991.5046 -20.9614 -20.8157 PRESSURE: 4482200 -110.84 -238.782 62.7294 -238.782 -113.855 -125.592 62.7296 -125.592 -287.856 GPRESSURE: 4482200 -124.352 -134.799 27.7187 -205.089 -56.1525 -94.1459 145.594 -44.3251 -243.553 PRESSAVG: 4482200 -12.9091 -54.0586 18.5867 -54.0586 -0.429226 38.6464 18.5867 38.6464 -3.4803 GPRESSAVG: 4482200 -13.3918 -52.7748 16.7618 -51.28 -0.281666 40.5349 21.1333 39.0895 -3.72407 TIMING: 4482200 CPU: 13999.9, 0.00313197/step Wall: 13999.9, 0.00313197/step, 0.450482 hours remaining, 234.183594 MB of memory in use. ENERGY: 4482200 3889.5298 20688.1316 14545.8249 245.4707 -203288.8578 2522.0771 0.0000 0.0000 52106.5559 -109291.2676 299.4571 -161397.8236 -108935.1938 299.2335 -170.8505 -141.3525 762690.5041 -5.6062 -5.7992 PRESSURE: 4482400 -63.2584 -288.627 -132.163 -288.627 -56.98 248.054 -132.163 248.054 241.281 GPRESSURE: 4482400 -22.0448 -308.212 -132.247 -426.1 26.3519 240.233 -94.8558 121.916 186.96 PRESSAVG: 4482400 -14.9058 -51.8778 -4.91108 -51.8778 36.161 55.5889 -4.91108 55.589 29.945 GPRESSAVG: 4482400 -13.5977 -53.5711 -5.83772 -52.0601 35.2394 55.5294 -5.21689 52.59 29.6831 TIMING: 4482400 CPU: 14000.6, 0.00311123/step Wall: 14000.6, 0.00311123/step, 0.447326 hours remaining, 234.386719 MB of memory in use. ENERGY: 4482400 4000.8403 20520.5221 14439.1171 229.5458 -203620.3307 2891.9061 0.0000 0.0000 52112.3494 -109426.0498 299.4904 -161538.3993 -109051.6954 299.2177 40.3474 63.7556 763092.3274 17.0667 17.1083 PRESSURE: 4482600 -124.457 254.121 -35.3739 254.121 140.332 8.39571 -35.374 8.39556 16.4896 GPRESSURE: 4482600 -55.5381 179.65 -145.035 200.32 122.696 -41.2678 -8.0194 -68.5844 29.9083 PRESSAVG: 4482600 26.2221 1.75009 7.52436 1.75006 -12.8386 -25.3735 7.52446 -25.3734 -17.6248 GPRESSAVG: 4482600 25.4736 2.60379 9.46608 -0.432644 -11.5967 -27.6403 4.50225 -21.8179 -17.9275 TIMING: 4482600 CPU: 14001.2, 0.00311519/step Wall: 14001.2, 0.00311519/step, 0.447722 hours remaining, 234.386719 MB of memory in use. ENERGY: 4482600 3954.2389 20604.0629 14416.7176 237.1933 -202867.0738 2386.9732 0.0000 0.0000 51721.3360 -109546.5520 297.2432 -161267.8880 -109189.8763 298.4485 10.7883 32.3553 764342.8322 -1.4138 -1.3502 PRESSURE: 4482800 -101.615 -145.047 85.0288 -145.046 51.8594 128.23 85.0286 128.229 339.254 GPRESSURE: 4482800 9.18828 -165.96 78.6031 -157.772 -1.93108 135.818 95.5914 23.1083 379.898 PRESSAVG: 4482800 3.40834 -56.3197 -42.0387 -56.3197 28.5319 -22.3657 -42.0388 -22.3658 9.16748 GPRESSAVG: 4482800 3.29936 -55.9356 -43.0979 -53.917 28.6836 -19.6326 -40.0751 -22.0492 9.42535 TIMING: 4482800 CPU: 14001.8, 0.00310194/step Wall: 14001.8, 0.00310194/step, 0.445646 hours remaining, 234.386719 MB of memory in use. ENERGY: 4482800 3971.0021 20417.2695 14431.1183 225.9080 -203436.5790 2810.7745 0.0000 0.0000 51938.0957 -109642.4109 298.4889 -161580.5065 -109277.8763 298.2810 96.4996 129.0517 764234.1562 13.7026 13.8028 PRESSURE: 4483000 -433.585 -89.3206 13.0122 -89.3204 -32.9382 386.122 13.0132 386.122 208.892 GPRESSURE: 4483000 -274.33 7.61725 112.967 -63.8948 -38.8505 373.171 21.3694 274.839 150.093 PRESSAVG: 4483000 -24.2922 -18.5804 0.955154 -18.5804 14.6844 38.4991 0.955112 38.4991 -34.0804 GPRESSAVG: 4483000 -23.847 -19.2175 1.69457 -20.6169 13.4386 37.8408 0.72536 37.9533 -32.8325 TIMING: 4483000 CPU: 14002.4, 0.00311119/step Wall: 14002.4, 0.00311119/step, 0.446802 hours remaining, 234.386719 MB of memory in use. ENERGY: 4483000 3956.5527 20387.8359 14429.8298 252.3914 -203437.1259 2655.1744 0.0000 0.0000 52145.4872 -109609.8544 299.6808 -161755.3416 -109245.6043 298.4327 -85.8772 -54.3624 764452.0888 -14.5627 -14.4136 PRESSURE: 4483200 129.328 25.0054 0.729069 25.0063 -79.0497 -231.313 0.728265 -231.311 450.589 GPRESSURE: 4483200 141.495 82.8921 -4.96217 11.5022 -32.7536 -295.04 81.7272 -74.7538 481.959 PRESSAVG: 4483200 -5.37362 -18.4564 1.59038 -18.4564 -2.43733 11.2609 1.59043 11.2609 1.28793 GPRESSAVG: 4483200 -5.02393 -18.7029 1.86685 -18.2942 -1.83081 11.4013 2.88901 10.2415 -0.195095 TIMING: 4483200 CPU: 14003, 0.00311752/step Wall: 14003, 0.00311752/step, 0.447537 hours remaining, 234.386719 MB of memory in use. ENERGY: 4483200 3990.8175 20472.9042 14467.1505 254.7692 -203737.2493 2996.2073 0.0000 0.0000 52033.5080 -109521.8926 299.0373 -161555.4006 -109157.7056 298.2898 166.9560 196.9002 764142.8325 -2.1743 -2.3499 PRESSURE: 4483400 53.7144 151.879 -10.7844 151.879 119.963 -108.398 -10.784 -108.399 -182.706 GPRESSURE: 4483400 51.2152 144.969 17.5859 106.187 165.329 -153.532 -66.6131 -120.713 -163.758 PRESSAVG: 4483400 -34.1028 -26.1503 -68.2811 -26.1503 19.2303 34.1596 -68.2812 34.1596 2.65794 GPRESSAVG: 4483400 -34.0054 -25.1363 -68.4698 -26.1568 19.1441 31.706 -68.7155 34.8315 3.03367 TIMING: 4483400 CPU: 14003.7, 0.00312418/step Wall: 14003.7, 0.00312418/step, 0.44832 hours remaining, 234.386719 MB of memory in use. ENERGY: 4483400 3994.5598 20544.2654 14506.2462 264.4146 -203682.4598 2904.7513 0.0000 0.0000 52265.5689 -109202.6536 300.3709 -161468.2225 -108835.7086 298.8194 -3.0093 17.5955 763137.7505 -4.0715 -3.9425 PRESSURE: 4483600 -152.556 -113.183 272.1 -113.183 -56.336 89.9382 272.1 89.9372 30.0157 GPRESSURE: 4483600 -174.837 -123.48 176.577 -125.118 27.8351 23.6695 138.994 104.261 20.3723 PRESSAVG: 4483600 -50.1759 -42.59 -24.5753 -42.5901 45.591 15.3425 -24.5752 15.3425 -4.72812 GPRESSAVG: 4483600 -50.5044 -44.1064 -25.2226 -40.9955 45.2713 17.4755 -23.2075 17.1402 -4.79015 TIMING: 4483600 CPU: 14004.3, 0.00310937/step Wall: 14004.3, 0.00310937/step, 0.446022 hours remaining, 234.386719 MB of memory in use. ENERGY: 4483600 3954.6234 20564.9558 14423.9657 262.4139 -203193.0661 2641.8275 0.0000 0.0000 52140.2943 -109204.9856 299.6510 -161345.2798 -108828.5697 299.2140 -59.6253 -42.2098 764186.8933 -3.1043 -3.3411 PRESSURE: 4483800 -431.999 91.1263 -75.1033 91.1263 -85.0252 -77.9806 -75.1026 -77.9799 -290.405 GPRESSURE: 4483800 -344.111 34.6037 -31.5078 -17.8894 -26.2311 -13.675 -4.87833 -163.79 -375.482 PRESSAVG: 4483800 -76.3722 -61.4409 -6.42932 -61.4409 66.7577 17.7598 -6.42939 17.7599 -4.62088 GPRESSAVG: 4483800 -75.8965 -62.0275 -5.79352 -61.666 68.2112 19.036 -8.08949 16.6929 -5.54203 TIMING: 4483800 CPU: 14004.9, 0.00309259/step Wall: 14004.9, 0.00309259/step, 0.443443 hours remaining, 234.386719 MB of memory in use. ENERGY: 4483800 3995.0092 20687.1419 14487.1208 255.6538 -202982.7981 2272.9535 0.0000 0.0000 51955.5587 -109329.3602 298.5893 -161284.9189 -108959.5471 299.3019 -269.1429 -248.6079 763477.2381 -4.7451 -4.4091 PRESSURE: 4484000 -160.706 257.452 -124.991 257.453 85.9451 -156.505 -124.991 -156.505 -49.0198 GPRESSURE: 4484000 -127.646 190.411 -92.6082 213.109 176.785 -163.953 -81.7233 -77.0264 -84.2258 PRESSAVG: 4484000 -98.6211 -22.745 16.196 -22.7449 94.2314 21.0015 16.1961 21.0015 -18.0659 GPRESSAVG: 4484000 -98.693 -21.5692 15.2359 -24.3653 94.3602 19.2559 15.5961 20.7548 -17.9519 TIMING: 4484000 CPU: 14005.5, 0.00310703/step Wall: 14005.5, 0.00310703/step, 0.445341 hours remaining, 234.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4484000 3983.6512 20484.6929 14530.6809 241.1187 -203340.4181 2497.4066 0.0000 0.0000 52278.6920 -109324.1758 300.4464 -161602.8678 -108946.2904 299.2746 -41.2602 -11.6956 761574.3525 -7.4852 -7.4282 PRESSURE: 4484200 138.647 -186.271 3.12445 -186.271 -16.8704 215.304 3.12444 215.303 214.222 GPRESSURE: 4484200 115.456 -40.424 5.59253 -39.9845 17.7607 212.373 12.9927 249.817 285.859 PRESSAVG: 4484200 -60.1122 -39.1683 -36.5118 -39.1683 86.8589 -11.9199 -36.5117 -11.9199 10.774 GPRESSAVG: 4484200 -60.2905 -38.3417 -34.4823 -36.1127 86.6891 -10.7118 -35.8752 -11.4789 11.0319 TIMING: 4484200 CPU: 14006.1, 0.00308928/step Wall: 14006.1, 0.00308928/step, 0.442625 hours remaining, 234.386719 MB of memory in use. ENERGY: 4484200 3994.3215 20560.1638 14479.9983 260.2376 -203266.9599 2744.8302 0.0000 0.0000 52046.0845 -109181.3241 299.1096 -161227.4087 -108824.2068 299.4999 111.9996 139.6916 761198.5293 12.5069 12.4768 LDB: ============= START OF LOAD BALANCING ============== 14018.6 LDB: ============== END OF LOAD BALANCING =============== 14018.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14018.6 LDB: ============= START OF LOAD BALANCING ============== 14018.9 LDB: Largest compute 7037 load 0.032648 is 16.7% of average load 0.195252 LDB: Average compute 0.004422 is 2.3% of average load 0.195252 LDB: TIME 14018.9 LOAD: AVG 0.195252 MAX 0.224764 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.32 MB LDB: TIME 14018.9 LOAD: AVG 0.195252 MAX 0.224764 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.32 MB LDB: TIME 14018.9 LOAD: AVG 0.195252 MAX 0.213539 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.32 MB LDB: ============== END OF LOAD BALANCING =============== 14018.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14019 PRESSURE: 4484400 204.6 -112.002 -94.5083 -112.001 -172.704 111.151 -94.5075 111.151 -243.959 GPRESSURE: 4484400 175.112 -50.0474 -182.475 -102.399 -142.641 98.3074 -25.6695 118.73 -155.312 PRESSAVG: 4484400 -31.7242 -79.8165 31.3056 -79.8164 15.0059 22.6136 31.3055 22.6135 -29.7295 GPRESSAVG: 4484400 -31.6003 -79.1655 30.8414 -82.0126 13.8759 23.2031 31.5284 21.1159 -28.1026 TIMING: 4484400 CPU: 14006.8, 0.00318207/step Wall: 14006.8, 0.00318207/step, 0.455744 hours remaining, 235.031250 MB of memory in use. ENERGY: 4484400 4014.4583 20410.8808 14562.1490 245.4386 -203013.8915 2599.9834 0.0000 0.0000 51841.1326 -109339.8489 297.9317 -161180.9815 -108981.8756 299.1085 -70.6879 -40.9470 763699.7464 -15.4826 -15.2757 PRESSURE: 4484600 -113.129 -39.28 60.1535 -39.2788 -694.147 78.4936 60.1533 78.4945 -321.384 GPRESSURE: 4484600 -100.836 47.4831 34.4523 -107.282 -647.8 65.1517 163.367 86.0374 -280.744 PRESSAVG: 4484600 -9.97211 -13.5267 4.86657 -13.5266 -12.9956 -32.6193 4.86657 -32.6193 14.0184 GPRESSAVG: 4484600 -10.5792 -14.1096 4.38457 -13.8663 -12.4868 -34.6237 6.22749 -29.9359 14.4455 TIMING: 4484600 CPU: 14007.4, 0.00310166/step Wall: 14007.4, 0.00310166/step, 0.444055 hours remaining, 235.289062 MB of memory in use. ENERGY: 4484600 4017.0779 20462.8421 14480.7136 245.6057 -202905.1542 2349.5633 0.0000 0.0000 51951.5048 -109397.8468 298.5660 -161349.3516 -109040.4690 299.1150 -376.2203 -343.1268 763995.0514 -2.9831 -2.8735 PRESSURE: 4484800 270.617 -77.6712 -90.7286 -77.6712 -295.192 271.147 -90.7284 271.147 344.598 GPRESSURE: 4484800 255.335 -99.5869 -25.5765 -1.79292 -311.036 304.258 -118.45 182.82 478.115 PRESSAVG: 4484800 -9.83104 -35.2572 -33.3743 -35.2572 -19.4452 10.9033 -33.3743 10.9034 -16.2821 GPRESSAVG: 4484800 -9.79414 -35.6406 -31.8846 -33.6213 -19.3655 11.0609 -35.2104 9.51727 -16.433 TIMING: 4484800 CPU: 14008, 0.00310021/step Wall: 14008, 0.00310022/step, 0.443675 hours remaining, 235.289062 MB of memory in use. ENERGY: 4484800 3923.4543 20492.7041 14522.3458 237.4379 -203442.5955 2874.8834 0.0000 0.0000 51927.7494 -109464.0207 298.4295 -161391.7701 -109103.5014 298.6509 106.6744 140.8048 762271.9423 -15.1861 -15.1976 PRESSURE: 4485000 121.282 50.8013 -96.0858 50.8013 50.7729 28.6606 -96.0862 28.6606 -81.6509 GPRESSURE: 4485000 122.527 128.809 -60.4807 61.8506 126.815 5.38682 -72.1878 60.464 -89.0558 PRESSAVG: 4485000 22.026 0.580168 -56.3257 0.580208 12.3843 5.0099 -56.3257 5.0099 -1.83199 GPRESSAVG: 4485000 21.4528 1.38346 -56.777 -1.60098 13.5693 5.81824 -55.8437 5.26122 -1.59449 TIMING: 4485000 CPU: 14008.7, 0.00312195/step Wall: 14008.7, 0.00312195/step, 0.446612 hours remaining, 235.289062 MB of memory in use. ENERGY: 4485000 3971.9489 20464.8751 14421.7915 260.4193 -203476.5664 2752.0030 0.0000 0.0000 52044.5886 -109560.9401 299.1010 -161605.5287 -109207.9376 298.6490 30.1347 53.4288 762524.5602 10.8595 11.1425 PRESSURE: 4485200 -254.498 -79.7251 1.59586 -79.7254 149.627 -6.73657 1.59543 -6.73609 -27.1293 GPRESSURE: 4485200 -218.734 -18.7601 -21.6103 -139.828 146.688 -35.2754 -39.7647 119.87 20.4855 PRESSAVG: 4485200 -17.405 -16.9574 -15.3493 -16.9575 26.8348 12.0708 -15.3493 12.0707 -5.27906 GPRESSAVG: 4485200 -15.0248 -15.7625 -16.6779 -18.2717 25.9182 11.9763 -15.7475 14.3644 -6.94848 TIMING: 4485200 CPU: 14009.3, 0.00311022/step Wall: 14009.3, 0.00311022/step, 0.444762 hours remaining, 235.289062 MB of memory in use. ENERGY: 4485200 4010.6089 20577.4816 14394.4425 243.4310 -203390.3761 2810.1093 0.0000 0.0000 51999.5279 -109354.7750 298.8420 -161354.3028 -108988.3272 298.3050 -44.0001 -17.1869 761899.1351 1.3836 1.3150 PRESSURE: 4485400 114.256 69.1961 149.81 69.1964 273.542 28.2405 149.809 28.2409 -228.869 GPRESSURE: 4485400 105.69 55.198 187.414 -9.9679 381.079 30.3017 189.108 44.781 -221.75 PRESSAVG: 4485400 -29.6137 -22.1735 -4.7271 -22.1735 22.6922 10.0351 -4.72702 10.0352 -31.7562 GPRESSAVG: 4485400 -31.8049 -24.6122 -3.44265 -20.9803 23.1938 9.70399 -5.93578 7.92313 -30.0726 TIMING: 4485400 CPU: 14009.9, 0.00312143/step Wall: 14009.9, 0.00312143/step, 0.446191 hours remaining, 235.343750 MB of memory in use. ENERGY: 4485400 4108.0925 20366.9033 14473.2148 256.3642 -203229.8146 2723.9659 0.0000 0.0000 52053.5560 -109247.7180 299.1525 -161301.2739 -108879.0309 299.4753 52.9762 88.3399 763400.9018 -12.8926 -12.8946 PRESSURE: 4485600 132.774 -38.9946 247.094 -38.9945 -73.1914 -7.52182 247.095 -7.52313 -60.0233 GPRESSURE: 4485600 182.077 54.2894 241.213 -88.0285 -69.1397 -43.2593 175.051 -67.8806 -29.7211 PRESSAVG: 4485600 8.40408 4.30027 61.0977 4.3003 6.63329 17.7631 61.0976 17.763 0.545936 GPRESSAVG: 4485600 10.5841 2.94244 58.343 2.5057 5.8038 19.1545 64.4812 18.1036 -0.778919 TIMING: 4485600 CPU: 14010.5, 0.00310974/step Wall: 14010.5, 0.00310974/step, 0.444347 hours remaining, 235.343750 MB of memory in use. ENERGY: 4485600 4031.0586 20540.5241 14495.1727 258.7093 -202728.4652 2269.0498 0.0000 0.0000 52163.9199 -108970.0308 299.7868 -161133.9507 -108606.7613 299.7066 -0.1470 27.7386 761980.6515 5.1944 5.2030 PRESSURE: 4485800 86.7689 -75.5317 -147.469 -75.5318 -294.863 41.5577 -147.469 41.5559 -172.491 GPRESSURE: 4485800 40.9105 -92.895 -181.775 -64.3897 -267.754 2.54753 -111.953 85.4948 -84.5296 PRESSAVG: 4485800 13.5293 -72.3105 -29.7375 -72.3105 6.26219 -0.0664784 -29.7375 -0.0664348 -3.059 GPRESSAVG: 4485800 12.7523 -72.8337 -26.7412 -70.9286 6.28721 -1.24886 -31.8662 0.0526126 -2.59605 TIMING: 4485800 CPU: 14011.1, 0.00309977/step Wall: 14011.1, 0.00309977/step, 0.44275 hours remaining, 235.343750 MB of memory in use. ENERGY: 4485800 4008.1551 20616.8148 14506.3684 242.2726 -203328.9396 2662.5854 0.0000 0.0000 52307.4770 -108985.2663 300.6118 -161292.7433 -108623.6561 300.0428 -126.8619 -103.7911 761010.0496 5.5775 5.4812 PRESSURE: 4486000 4.65382 96.0891 132.762 96.09 9.41599 74.1572 132.76 74.1576 -143.26 GPRESSURE: 4486000 90.3051 129.059 94.0902 69.6217 -3.31362 56.1828 102.727 49.6868 -112.067 PRESSAVG: 4486000 33.9581 -10.5816 -29.5114 -10.5817 -14.1761 15.5858 -29.5114 15.5857 -23.9169 GPRESSAVG: 4486000 34.9197 -7.72703 -32.1996 -10.9614 -14.2117 16.2567 -26.1014 15.6199 -24.2734 TIMING: 4486000 CPU: 14011.8, 0.00312021/step Wall: 14011.8, 0.00312021/step, 0.445497 hours remaining, 235.343750 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: 4486000 4058.8471 20587.6723 14484.0980 244.6084 -202868.9498 2425.3759 0.0000 0.0000 52167.6179 -108900.7302 299.8080 -161068.3481 -108538.5954 300.2865 -43.0635 -8.3585 762045.7342 -1.3783 -1.1885 PRESSURE: 4486200 304.743 -271.548 79.6098 -271.548 125.714 13.1524 79.6094 13.1532 50.9127 GPRESSURE: 4486200 163.935 -178.125 87.5799 -207.934 274.723 55.2273 52.4266 8.23897 119.335 PRESSAVG: 4486200 14.0413 -38.6782 -36.8362 -38.6781 -2.98991 -21.515 -36.8362 -21.5151 -11.1166 GPRESSAVG: 4486200 12.9562 -41.0818 -35.9312 -36.5237 -1.46308 -21.4574 -40.6337 -22.9742 -11.5347 TIMING: 4486200 CPU: 14012.4, 0.00311745/step Wall: 14012.4, 0.00311745/step, 0.444929 hours remaining, 235.343750 MB of memory in use. ENERGY: 4486200 3950.0487 20713.6756 14474.6590 238.6818 -203299.7808 2789.3693 0.0000 0.0000 52391.0397 -108742.3066 301.0920 -161133.3463 -108372.7643 300.5577 160.4566 185.9976 762371.0386 -0.0217 -0.0139 PRESSURE: 4486400 -84.2624 65.4497 -247.414 65.4502 -403.701 -206.476 -247.415 -206.475 -164.569 GPRESSURE: 4486400 -88.6564 150.631 -212.741 10.881 -378.577 -175.668 -118.103 -90.2817 -98.4729 PRESSAVG: 4486400 10.4565 5.49302 4.14426 5.49303 -15.0268 29.5804 4.14425 29.5803 28.2007 GPRESSAVG: 4486400 10.486 5.21071 5.15132 3.85537 -14.9058 29.2659 5.67295 31.9982 27.9663 TIMING: 4486400 CPU: 14013, 0.00308849/step Wall: 14013, 0.00308849/step, 0.440624 hours remaining, 235.343750 MB of memory in use. ENERGY: 4486400 4008.8641 20662.8855 14438.3627 267.1186 -203125.9194 2441.7828 0.0000 0.0000 52146.9694 -109159.9363 299.6893 -161306.9057 -108801.9785 300.3218 -217.5108 -188.5687 760698.1002 7.8768 7.8488 PRESSURE: 4486600 30.1039 -99.8401 272.159 -99.8405 23.6483 -132.428 272.16 -132.428 374.165 GPRESSURE: 4486600 0.0587633 -3.91091 326.762 -167.5 85.2029 -97.7731 207.866 -209.292 438.444 PRESSAVG: 4486600 7.05326 -19.3731 59.4644 -19.3731 -30.9232 11.7904 59.4644 11.7904 14.0233 GPRESSAVG: 4486600 6.58254 -17.9766 57.2362 -18.4063 -31.4278 12.74 58.765 9.26442 15.1416 TIMING: 4486600 CPU: 14013.6, 0.00310174/step Wall: 14013.6, 0.00310174/step, 0.442343 hours remaining, 235.343750 MB of memory in use. ENERGY: 4486600 4023.3330 20534.7907 14474.0587 238.9172 -203425.2934 2779.9446 0.0000 0.0000 52109.3865 -109264.8627 299.4734 -161374.2492 -108909.8406 299.6517 142.6392 174.5685 763010.2527 -3.2822 -3.2345 PRESSURE: 4486800 -169.036 28.7782 32.4536 28.7783 -376.611 -85.2471 32.4536 -85.2475 -36.4932 GPRESSURE: 4486800 -246.674 118.994 71.0765 -92.5284 -235.874 -120.739 -91.8726 -96.7691 6.77769 PRESSAVG: 4486800 17.0269 -7.35725 -11.9454 -7.35723 -38.4003 -29.2251 -11.9454 -29.2251 14.0122 GPRESSAVG: 4486800 16.6868 -7.89766 -10.1448 -8.37699 -38.3503 -29.1285 -10.8055 -29.6486 14.1338 TIMING: 4486800 CPU: 14014.2, 0.0031218/step Wall: 14014.2, 0.0031218/step, 0.445029 hours remaining, 235.343750 MB of memory in use. ENERGY: 4486800 3959.3274 20488.1356 14451.3541 257.5127 -203156.5057 2443.4265 0.0000 0.0000 52243.1990 -109313.5504 300.2424 -161556.7494 -108941.4973 299.3912 -194.0467 -158.5901 762586.8017 -2.4537 -2.5099 PRESSURE: 4487000 35.5457 -166.565 152.504 -166.564 -187.181 106.741 152.504 106.741 52.28 GPRESSURE: 4487000 27.9652 -150.383 162.977 -238.342 -113.507 140.678 -12.2813 9.67684 66.5919 PRESSAVG: 4487000 13.931 -51.4899 9.83455 -51.4899 26.7193 19.353 9.83451 19.3529 4.38168 GPRESSAVG: 4487000 13.9158 -50.7557 9.79873 -52.6914 26.4429 17.9878 8.89288 21.9403 4.02686 TIMING: 4487000 CPU: 14014.9, 0.0031061/step Wall: 14014.9, 0.0031061/step, 0.442619 hours remaining, 235.343750 MB of memory in use. ENERGY: 4487000 3948.0288 20382.1751 14510.4337 240.3356 -203258.4738 2569.6563 0.0000 0.0000 52080.0529 -109527.7913 299.3048 -161607.8442 -109162.1789 299.5793 -33.1184 -6.3165 760695.5425 15.0107 14.7952 PRESSURE: 4487200 -61.7664 4.64383 -54.4665 4.64448 20.2262 -106.389 -54.4673 -106.388 193.772 GPRESSURE: 4487200 -113.556 12.7955 -168.027 105.965 88.5795 -51.4589 -43.3349 -165.241 257.946 PRESSAVG: 4487200 1.25032 -40.3443 -22.572 -40.3444 -1.92224 -42.4673 -22.572 -42.4673 -10.1199 GPRESSAVG: 4487200 0.534053 -39.3548 -24.4515 -38.9925 -1.16857 -43.4224 -22.0487 -43.0654 -10.4979 TIMING: 4487200 CPU: 14015.5, 0.00311475/step Wall: 14015.5, 0.00311475/step, 0.443679 hours remaining, 235.355469 MB of memory in use. ENERGY: 4487200 3911.9904 20506.5328 14452.7570 269.3261 -203406.8842 2703.6230 0.0000 0.0000 51913.6196 -109649.0354 298.3483 -161562.6550 -109283.2805 298.7496 50.7438 77.6567 762889.0512 -3.5973 -3.7108 PRESSURE: 4487400 -171.315 118.797 -29.8717 118.797 -69.4945 68.6131 -29.8714 68.6118 8.51094 GPRESSURE: 4487400 -169.314 62.4459 -56.5534 93.965 38.9603 81.138 26.0628 207.22 -10.5244 PRESSAVG: 4487400 15.2051 -5.05306 38.9826 -5.05302 1.1187 -1.8904 38.9826 -1.8903 -17.3247 GPRESSAVG: 4487400 16.2908 -7.46815 39.5634 -4.7779 1.80392 -1.29567 40.1317 -0.372884 -19.4411 TIMING: 4487400 CPU: 14016.1, 0.00311132/step Wall: 14016.1, 0.00311132/step, 0.443018 hours remaining, 235.355469 MB of memory in use. ENERGY: 4487400 4026.7966 20529.8275 14392.5433 229.8090 -203351.8322 2629.6498 0.0000 0.0000 52107.3165 -109435.8896 299.4615 -161543.2062 -109073.0137 298.8178 -77.4330 -46.9593 761794.7194 -0.3336 -0.4488 PRESSURE: 4487600 75.1393 68.0398 -112.783 68.0397 92.8406 -72.4622 -112.782 -72.4622 435.364 GPRESSURE: 4487600 51.0446 47.1814 39.9143 53.2043 166.495 -83.9279 -51.9454 -8.71795 461.8 PRESSAVG: 4487600 -52.1961 -6.17098 -28.7088 -6.17106 20.7775 7.22887 -28.7088 7.22882 -7.68671 GPRESSAVG: 4487600 -51.7769 -7.43161 -26.6978 -4.74876 19.6435 7.38371 -29.2463 5.76862 -7.07051 TIMING: 4487600 CPU: 14016.7, 0.00309867/step Wall: 14016.7, 0.00309867/step, 0.441043 hours remaining, 235.355469 MB of memory in use. ENERGY: 4487600 3973.2539 20551.5346 14502.3830 228.3723 -203520.4045 2769.1037 0.0000 0.0000 52113.6420 -109382.1150 299.4978 -161495.7569 -109027.5477 299.2598 201.1146 226.4465 760522.4882 -13.0351 -13.0680 PRESSURE: 4487800 -66.7944 159.615 -132.397 159.616 -5.60312 -181.931 -132.396 -181.931 -324.528 GPRESSURE: 4487800 -94.5025 195.815 -137.057 185.644 93.9143 -188.744 -102.126 -152.919 -327.629 PRESSAVG: 4487800 7.58615 -15.5737 34.8491 -15.5737 26.2534 11.8184 34.8491 11.8183 8.58362 GPRESSAVG: 4487800 6.26469 -12.814 33.8329 -19.3358 26.2402 11.5371 35.8425 12.0504 9.75555 TIMING: 4487800 CPU: 14017.4, 0.00313085/step Wall: 14017.4, 0.00313086/step, 0.445451 hours remaining, 235.355469 MB of memory in use. ENERGY: 4487800 3973.4294 20462.2419 14429.8065 233.0010 -203498.8822 2769.2002 0.0000 0.0000 52063.0114 -109568.1918 299.2068 -161631.2032 -109199.5029 298.8464 -132.3085 -109.4056 762585.4702 14.1410 14.0868 PRESSURE: 4488000 -137.785 -152.228 159.623 -152.229 62.9014 185.321 159.624 185.321 -0.792543 GPRESSURE: 4488000 -116.454 -153.307 139.55 -56.013 53.3413 267.744 130.586 184.172 69.039 PRESSAVG: 4488000 -38.3984 30.4667 53.6766 30.4668 65.6107 -2.93502 53.6766 -2.93496 -5.01841 GPRESSAVG: 4488000 -37.4322 28.7438 52.0108 33.0695 64.8331 -2.20762 52.741 -3.24503 -4.88387 TIMING: 4488000 CPU: 14018, 0.00310014/step Wall: 14018, 0.00310014/step, 0.440909 hours remaining, 235.355469 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: 4488000 3954.6665 20541.0931 14439.5186 244.4703 -203489.0927 2851.0606 0.0000 0.0000 51905.9169 -109552.3667 298.3040 -161458.2836 -109184.2416 298.3755 -25.2253 1.9754 762551.7824 7.3980 7.5057 PRESSURE: 4488200 -268.848 22.0268 117.09 22.0265 -104.841 56.5397 117.09 56.5396 -485.753 GPRESSURE: 4488200 -210.665 -11.6625 103.508 123.504 -137.702 40.3773 133.859 -25.5165 -440.934 PRESSAVG: 4488200 -13.6663 -39.4934 15.0951 -39.4934 31.9548 -19.1331 15.0951 -19.1331 -6.16965 GPRESSAVG: 4488200 -14.1267 -40.0382 16.4114 -38.2741 32.5285 -19.2448 16.3031 -18.9412 -6.40003 TIMING: 4488200 CPU: 14018.6, 0.00310825/step Wall: 14018.6, 0.00310825/step, 0.44189 hours remaining, 235.355469 MB of memory in use. ENERGY: 4488200 3874.6037 20314.0443 14506.1731 246.2204 -202789.3964 2498.7828 0.0000 0.0000 51874.8674 -109474.7048 298.1256 -161349.5721 -109109.2516 298.5635 -286.4809 -263.1003 764061.8387 4.0396 4.0006 LDB: ============= START OF LOAD BALANCING ============== 14031.1 LDB: ============== END OF LOAD BALANCING =============== 14031.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14031.1 LDB: ============= START OF LOAD BALANCING ============== 14031.4 LDB: Largest compute 7038 load 0.030963 is 15.8% of average load 0.195382 LDB: Average compute 0.004411 is 2.3% of average load 0.195382 LDB: TIME 14031.4 LOAD: AVG 0.195382 MAX 0.213877 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.547 MB LDB: TIME 14031.4 LOAD: AVG 0.195382 MAX 0.213877 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.547 MB LDB: TIME 14031.4 LOAD: AVG 0.195382 MAX 0.213877 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.547 MB LDB: ============== END OF LOAD BALANCING =============== 14031.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14031.4 PRESSURE: 4488400 -86.8438 77.0146 223.081 77.0141 -80.8629 -183.117 223.082 -183.117 43.7293 GPRESSURE: 4488400 -120.381 60.2128 181.317 63.9825 -3.24355 -217.133 180.574 -240.352 71.4936 PRESSAVG: 4488400 -29.3173 -15.3411 17.9433 -15.3412 18.1185 -54.5647 17.9434 -54.5647 -38.4027 GPRESSAVG: 4488400 -29.4728 -14.5475 18.7937 -15.4459 18.4281 -54.6267 17.5108 -57.2235 -38.5108 TIMING: 4488400 CPU: 14019.2, 0.00316206/step Wall: 14019.2, 0.00316206/step, 0.449364 hours remaining, 235.601562 MB of memory in use. ENERGY: 4488400 4066.5322 20323.8001 14479.1825 243.7622 -203044.1236 2543.4471 0.0000 0.0000 51809.3109 -109578.0886 297.7488 -161387.3995 -109222.0084 298.5276 -41.3258 -17.3769 764111.0058 -16.5339 -16.5185 PRESSURE: 4488600 214.532 7.23641 49.2668 7.23675 2.82505 51.5037 49.2655 51.5023 -210.116 GPRESSURE: 4488600 187.515 103.956 -25.9325 176.4 112.182 -107.943 181.474 50.8412 -193.079 PRESSAVG: 4488600 26.7156 5.16464 52.6978 5.16463 17.4435 6.89644 52.6979 6.89651 14.6711 GPRESSAVG: 4488600 27.0214 6.59311 52.3532 2.69072 17.6792 5.13932 51.9096 9.32483 14.5264 TIMING: 4488600 CPU: 14019.9, 0.00310832/step Wall: 14019.9, 0.00310832/step, 0.441554 hours remaining, 235.804688 MB of memory in use. ENERGY: 4488600 3871.9592 20462.4025 14408.1019 261.3281 -203204.7982 2564.4299 0.0000 0.0000 52065.3833 -109571.1933 299.2205 -161636.5766 -109214.2153 298.9520 2.4138 35.5393 762164.7492 19.6101 19.7423 PRESSURE: 4488800 54.5479 176.812 -73.6402 176.812 164.048 278.046 -73.6404 278.047 -475.722 GPRESSURE: 4488800 83.6053 191.969 -32.7403 110.889 229.652 379.589 -111.684 167.369 -461.811 PRESSAVG: 4488800 -11.1007 2.1332 62.1844 2.1332 3.00014 -0.985323 62.1843 -0.985177 0.596858 GPRESSAVG: 4488800 -10.6161 1.7142 61.4542 2.41576 1.14861 1.95923 60.7104 -2.85097 1.40499 TIMING: 4488800 CPU: 14020.5, 0.0030972/step Wall: 14020.5, 0.0030972/step, 0.439802 hours remaining, 235.804688 MB of memory in use. ENERGY: 4488800 4002.9704 20582.1812 14467.7394 236.0095 -203664.2244 2729.4971 0.0000 0.0000 52244.1932 -109401.6336 300.2481 -161645.8268 -109045.2174 298.7755 -85.7086 -49.5177 761663.7761 -2.5012 -2.6875 PRESSURE: 4489000 -237.609 44.8089 -103.537 44.809 -338.808 217.172 -103.537 217.172 413.643 GPRESSURE: 4489000 -235.227 -83.9382 -144.12 -35.3394 -233.035 235.866 -25.4967 151.915 405.419 PRESSAVG: 4489000 32.0035 3.64266 -13.0674 3.64269 -19.5963 74.6272 -13.0674 74.6272 -11.34 GPRESSAVG: 4489000 31.9707 1.38309 -13.3644 5.37106 -18.7147 74.324 -9.60247 75.6515 -11.9562 TIMING: 4489000 CPU: 14021.1, 0.00308828/step Wall: 14021.1, 0.00308828/step, 0.438365 hours remaining, 235.804688 MB of memory in use. ENERGY: 4489000 4012.9368 20597.9337 14443.2952 250.8473 -203104.5995 2340.1648 0.0000 0.0000 52192.8833 -109266.5384 299.9532 -161459.4217 -108897.1610 299.1556 -54.2577 -20.9476 762659.4487 0.3558 0.4333 PRESSURE: 4489200 -0.701378 36.9573 99.1503 36.957 0.257905 80.4763 99.1508 80.4755 142.237 GPRESSURE: 4489200 36.5233 -4.73143 62.5798 -30.7567 9.29608 83.0631 172.364 65.6121 161.756 PRESSAVG: 4489200 27.6972 -24.3791 21.2513 -24.3791 -4.58899 14.5919 21.2513 14.5918 2.38362 GPRESSAVG: 4489200 27.4248 -21.5666 22.9787 -28.3716 -4.42924 14.2048 20.2053 15.3431 1.98196 TIMING: 4489200 CPU: 14021.7, 0.00308185/step Wall: 14021.7, 0.00308185/step, 0.437281 hours remaining, 235.804688 MB of memory in use. ENERGY: 4489200 3962.3069 20643.5020 14433.4068 256.7315 -203405.9684 2600.4405 0.0000 0.0000 52012.4971 -109497.0835 298.9165 -161509.5806 -109130.8759 299.3872 47.2644 69.1916 761653.1361 8.4973 8.3258 PRESSURE: 4489400 -114.064 -193.24 74.9008 -193.24 28.2684 52.2659 74.9009 52.2653 -64.1027 GPRESSURE: 4489400 -65.6563 -215.698 50.7171 -149.144 36.2422 151.37 55.6655 -7.26809 -23.7698 PRESSAVG: 4489400 33.6123 -1.79893 -22.3232 -1.79896 -10.1413 15.0027 -22.3232 15.0026 5.13033 GPRESSAVG: 4489400 33.1438 -3.19042 -21.6878 -0.588189 -11.0357 15.4011 -23.695 12.8888 6.74536 TIMING: 4489400 CPU: 14022.3, 0.00308458/step Wall: 14022.3, 0.00308458/step, 0.437497 hours remaining, 235.804688 MB of memory in use. ENERGY: 4489400 3939.5998 20502.5025 14473.1648 235.4194 -203550.7595 2834.8034 0.0000 0.0000 51968.8019 -109596.4676 298.6654 -161565.2695 -109229.8065 299.0990 -49.9660 -17.7280 762950.2475 9.5338 9.6178 PRESSURE: 4489600 278.273 104.026 -47.7844 104.025 -103.939 -106.313 -47.7849 -106.314 189.095 GPRESSURE: 4489600 355.617 45.1647 -77.584 151.612 -41.4354 -103.587 -106.695 18.2114 146.368 PRESSAVG: 4489600 16.1082 -30.9311 35.4646 -30.9311 -34.2961 -3.83886 35.4646 -3.83895 -3.91273 GPRESSAVG: 4489600 16.3382 -31.9615 33.4728 -28.4722 -33.7814 -3.077 37.3775 -0.856925 -4.99266 TIMING: 4489600 CPU: 14022.9, 0.00309992/step Wall: 14022.9, 0.00309993/step, 0.439501 hours remaining, 235.804688 MB of memory in use. ENERGY: 4489600 3990.6268 20579.2880 14494.3896 240.2885 -203454.2870 2878.3531 0.0000 0.0000 51863.6759 -109407.6651 298.0613 -161271.3410 -109047.7210 298.3459 121.1434 153.5165 762507.8746 -7.3669 -7.4786 PRESSURE: 4489800 170.66 -191.284 141.447 -191.285 -40.3249 130.51 141.447 130.509 538.809 GPRESSURE: 4489800 219.97 -89.5787 123.508 -101.987 7.35203 75.7017 135.793 -42.8573 527.702 PRESSAVG: 4489800 -49.2191 28.2321 10.9942 28.2321 39.5753 18.3541 10.9942 18.3541 -5.64934 GPRESSAVG: 4489800 -49.5157 28.9349 11.0692 25.1978 40.0869 16.7878 11.52 16.7392 -5.53765 TIMING: 4489800 CPU: 14023.6, 0.00311924/step Wall: 14023.6, 0.00311924/step, 0.442066 hours remaining, 235.804688 MB of memory in use. ENERGY: 4489800 3893.1976 20570.4730 14403.1556 232.5168 -203381.0792 2877.9571 0.0000 0.0000 52030.4614 -109373.3176 299.0198 -161403.7790 -109005.1319 298.8976 223.0479 251.6747 762300.5373 -5.0977 -4.9888 PRESSURE: 4490000 133.474 -252.175 286.542 -252.174 -65.1482 136.846 286.541 136.847 135.115 GPRESSURE: 4490000 114.672 -206.522 223.285 -316.654 32.7525 176.894 210.347 -39.8829 146.286 PRESSAVG: 4490000 -35.1154 2.52234 18.8791 2.52243 29.2463 44.1498 18.8791 44.1498 17.1578 GPRESSAVG: 4490000 -36.0435 1.82074 19.8052 4.85764 30.0666 45.3894 17.6195 44.9145 17.0252 TIMING: 4490000 CPU: 14024.2, 0.00308755/step Wall: 14024.2, 0.00308755/step, 0.437403 hours remaining, 235.804688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4490000 3973.3517 20489.5932 14470.3111 230.3121 -203457.5366 2688.3985 0.0000 0.0000 52014.8121 -109590.7579 298.9298 -161605.5700 -109234.5410 299.0743 67.8134 97.9034 763425.3714 3.7629 3.6827 PRESSURE: 4490200 93.6266 -55.3711 -29.6253 -55.3724 351.383 319.27 -29.6254 319.27 374.429 GPRESSURE: 4490200 142.527 -46.0008 -105.77 70.284 372.888 277.723 75.9572 351.127 400.934 PRESSAVG: 4490200 19.1385 18.8223 40.3469 18.8223 -12.9558 1.74122 40.3469 1.74115 7.32982 GPRESSAVG: 4490200 20.6712 18.442 40.8474 19.8072 -14.2097 0.509929 38.9585 2.83005 7.53733 TIMING: 4490200 CPU: 14024.8, 0.00308247/step Wall: 14024.8, 0.00308247/step, 0.436512 hours remaining, 235.804688 MB of memory in use. ENERGY: 4490200 3977.0743 20388.7322 14445.6011 238.8282 -203345.3548 2764.0243 0.0000 0.0000 51917.2182 -109613.8764 298.3690 -161531.0947 -109252.6334 298.5776 273.1462 305.4496 762305.6958 4.5042 4.6663 PRESSURE: 4490400 -51.9327 -148.784 119.768 -148.784 -192.14 20.3017 119.767 20.3024 489.098 GPRESSURE: 4490400 40.047 -191.262 234.18 -218.89 -139.608 -41.9198 98.4518 66.3318 426.982 PRESSAVG: 4490400 1.21188 -9.84735 12.7738 -9.84733 -2.24028 -7.2482 12.7738 -7.24819 -0.925295 GPRESSAVG: 4490400 1.44946 -8.09551 12.1124 -11.462 -2.46257 -6.74195 16.4161 -7.90645 -1.16271 TIMING: 4490400 CPU: 14025.4, 0.00308908/step Wall: 14025.4, 0.00308908/step, 0.437276 hours remaining, 235.804688 MB of memory in use. ENERGY: 4490400 4005.3870 20479.2571 14437.9343 247.9966 -203508.3892 2743.9178 0.0000 0.0000 51961.7953 -109632.1011 298.6252 -161593.8964 -109271.5364 298.2824 81.6750 109.1406 761214.8605 -0.6512 -0.7253 PRESSURE: 4490600 -90.9237 47.2844 95.515 47.2844 0.857052 112.646 95.5152 112.644 332.855 GPRESSURE: 4490600 -118.923 37.9322 -5.94899 86.7037 71.0583 119.672 114.628 87.8871 382.798 PRESSAVG: 4490600 -13.896 51.9255 37.3243 51.9255 -12.6672 20.5935 37.3244 20.5934 -0.214274 GPRESSAVG: 4490600 -14.5597 51.0193 36.8829 52.4765 -12.2755 19.7736 37.2003 20.3335 -0.105847 TIMING: 4490600 CPU: 14026, 0.00311059/step Wall: 14026, 0.00311059/step, 0.440148 hours remaining, 235.804688 MB of memory in use. ENERGY: 4490600 3951.9576 20582.7627 14440.0850 251.2100 -203305.1430 2525.1685 0.0000 0.0000 51883.4217 -109670.5375 298.1747 -161553.9592 -109307.5400 298.7364 80.9295 111.6445 760482.2732 -8.9258 -8.9804 PRESSURE: 4490800 -178.848 -102.532 109.597 -102.532 -104.77 173.099 109.596 173.099 117.805 GPRESSURE: 4490800 -99.6238 -104.085 89.1073 -223.288 -44.6182 192.113 60.587 167.026 50.6252 PRESSAVG: 4490800 -65.4984 31.6325 43.8732 31.6325 71.9325 29.6509 43.8731 29.6509 13.0505 GPRESSAVG: 4490800 -64.1537 30.4577 44.4827 31.8971 71.7354 29.7949 41.8583 29.1954 11.777 TIMING: 4490800 CPU: 14026.7, 0.00310713/step Wall: 14026.7, 0.00310713/step, 0.439486 hours remaining, 235.804688 MB of memory in use. ENERGY: 4490800 3982.1056 20476.7762 14533.9930 228.4250 -203317.1239 2501.2481 0.0000 0.0000 52040.6695 -109553.9064 299.0784 -161594.5759 -109181.3253 298.6858 -55.2708 -31.2056 760583.4571 6.4949 6.4529 PRESSURE: 4491000 -326.494 128.395 -164.109 128.394 99.9377 296.497 -164.109 296.497 -147.666 GPRESSURE: 4491000 -239.718 147.739 -162.787 150.094 167.395 299.094 -137.437 197.723 -214.565 PRESSAVG: 4491000 -111.169 -6.27153 -18.5066 -6.27154 57.0429 61.7079 -18.5066 61.708 -12.8539 GPRESSAVG: 4491000 -112.482 -4.71024 -18.192 -5.85031 56.6277 63.282 -19.3836 63.5877 -11.3555 TIMING: 4491000 CPU: 14027.3, 0.00309238/step Wall: 14027.3, 0.00309238/step, 0.437229 hours remaining, 235.804688 MB of memory in use. ENERGY: 4491000 4007.5611 20538.0756 14498.3169 249.3508 -203275.2599 2412.7115 0.0000 0.0000 52062.6171 -109506.6268 299.2046 -161569.2439 -109139.6108 298.9523 -124.7408 -95.6291 761545.0070 -22.3267 -22.4032 PRESSURE: 4491200 -161.103 49.2298 -130.098 49.2304 0.863255 170.508 -130.098 170.509 -230.799 GPRESSURE: 4491200 -107.269 -63.631 -87.9767 62.0785 49.1816 126.67 -9.10402 98.2627 -244.927 PRESSAVG: 4491200 -73.2189 -2.26211 23.9123 -2.26209 54.7789 36.9386 23.9123 36.9387 12.8783 GPRESSAVG: 4491200 -74.1091 -3.55855 24.3061 -2.06416 56.7331 36.6052 25.7417 31.8519 12.2349 TIMING: 4491200 CPU: 14027.9, 0.0031113/step Wall: 14027.9, 0.0031113/step, 0.439731 hours remaining, 235.804688 MB of memory in use. ENERGY: 4491200 4004.0091 20535.8972 14502.2846 239.9667 -203336.3031 2820.9943 0.0000 0.0000 51823.0982 -109410.0530 297.8281 -161233.1512 -109056.9879 299.0138 -130.3462 -101.0048 762628.6192 -1.8539 -1.7137 PRESSURE: 4491400 305.546 155.636 -49.5235 155.637 155.197 -51.4934 -49.5235 -51.4938 106.805 GPRESSURE: 4491400 193.561 203.738 -85.007 119.32 274.334 -92.5983 -11.3821 -59.8186 188.113 PRESSAVG: 4491400 -67.2008 -6.77686 -53.7186 -6.77686 53.6688 -17.3225 -53.7186 -17.3225 -20.6362 GPRESSAVG: 4491400 -66.1315 -5.0806 -52.4163 -7.83603 51.5575 -17.2924 -52.6629 -14.281 -20.3178 TIMING: 4491400 CPU: 14028.5, 0.00308544/step Wall: 14028.5, 0.00308544/step, 0.435905 hours remaining, 235.804688 MB of memory in use. ENERGY: 4491400 4000.8577 20317.6317 14480.3620 255.4191 -203340.1628 2849.4333 0.0000 0.0000 52087.1045 -109349.3545 299.3453 -161436.4590 -108991.3298 298.7952 189.1826 218.6691 762702.9959 -11.3894 -11.6306 PRESSURE: 4491600 -238.339 -119.768 271.381 -119.769 -377.969 -141.709 271.382 -141.708 -88.2051 GPRESSURE: 4491600 -186.557 -236.497 229.121 -92.3716 -297.323 -214.953 233.671 -217.184 -121.861 PRESSAVG: 4491600 7.79672 -62.6333 40.4187 -62.6333 10.0172 32.8403 40.4187 32.8403 3.22788 GPRESSAVG: 4491600 6.69399 -63.0639 38.4227 -63.2058 11.2463 31.6021 38.2933 32.8039 3.09202 TIMING: 4491600 CPU: 14029.1, 0.00307835/step Wall: 14029.1, 0.00307835/step, 0.434732 hours remaining, 235.804688 MB of memory in use. ENERGY: 4491600 4018.6481 20390.1221 14429.3906 246.9574 -202806.6222 2274.5848 0.0000 0.0000 52309.9307 -109136.9886 300.6259 -161446.9193 -108772.3857 299.2823 -234.8376 -201.9137 762827.7091 7.0139 7.0108 PRESSURE: 4491800 -109.576 -110.539 -176.595 -110.538 -150.142 132.102 -176.595 132.102 243.746 GPRESSURE: 4491800 -113.999 -144.95 -261.386 -147.26 -125.995 76.5558 71.5634 181.506 297.736 PRESSAVG: 4491800 -10.6483 6.83001 5.25972 6.83002 36.6337 -67.1661 5.25974 -67.1661 8.1829 GPRESSAVG: 4491800 -10.5543 7.31602 6.0102 7.23992 36.6943 -67.4933 5.57263 -64.7669 7.8767 TIMING: 4491800 CPU: 14029.8, 0.00310199/step Wall: 14029.8, 0.00310199/step, 0.437898 hours remaining, 235.804688 MB of memory in use. ENERGY: 4491800 3901.7718 20494.6185 14440.0590 226.6826 -202557.5701 2300.7178 0.0000 0.0000 52230.0024 -108963.7180 300.1665 -161193.7204 -108600.2941 300.1082 -5.3239 19.2471 763599.7790 11.3894 11.3389 PRESSURE: 4492000 52.8831 19.5975 92.3188 19.5972 1.15683 -41.2253 92.3185 -41.2247 -282.401 GPRESSURE: 4492000 -8.99853 25.933 76.4688 24.0346 86.0099 47.1226 98.9981 -117.919 -222.062 PRESSAVG: 4492000 -20.6652 61.8909 81.1237 61.8909 18.6707 11.393 81.1236 11.3931 -11.4405 GPRESSAVG: 4492000 -19.9602 61.5112 80.2723 62.5626 18.1611 10.8001 81.5323 9.61782 -11.8881 TIMING: 4492000 CPU: 14030.4, 0.00309042/step Wall: 14030.4, 0.00309042/step, 0.436093 hours remaining, 235.804688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4492000 3997.1675 20708.3021 14472.6017 253.8945 -203200.7640 2697.5912 0.0000 0.0000 52129.6178 -108941.5893 299.5896 -161071.2071 -108582.1754 299.3507 -76.1204 -48.3501 762641.6742 -4.4783 -4.5624 PRESSURE: 4492200 368.692 39.1094 -13.6534 39.1099 -291.576 26.9629 -13.6529 26.9625 2.72858 GPRESSURE: 4492200 434.364 61.3463 7.09157 8.3312 -204.512 65.8377 -56.1656 38.0755 -57.7081 PRESSAVG: 4492200 -28.9045 -4.85166 3.88538 -4.85163 8.84199 -22.0493 3.88542 -22.0493 -7.24125 GPRESSAVG: 4492200 -29.6236 -4.44933 2.69915 -6.12345 9.20337 -19.8241 4.22431 -22.7622 -7.34779 TIMING: 4492200 CPU: 14031, 0.00309848/step Wall: 14031, 0.00309848/step, 0.437057 hours remaining, 235.804688 MB of memory in use. ENERGY: 4492200 3961.2485 20525.7514 14434.1213 247.6418 -203151.0011 2512.5897 0.0000 0.0000 52597.2392 -108872.4091 302.2771 -161469.6483 -108501.8352 300.1787 26.6150 57.3813 761604.6910 -9.1013 -9.2560 LDB: ============= START OF LOAD BALANCING ============== 14043.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14043.5 LDB: =============== DONE WITH MIGRATION ================ 14043.5 LDB: ============= START OF LOAD BALANCING ============== 14043.8 LDB: Largest compute 7028 load 0.030438 is 15.6% of average load 0.195237 LDB: Average compute 0.004391 is 2.2% of average load 0.195237 LDB: TIME 14043.8 LOAD: AVG 0.195237 MAX 0.217955 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.605 MB LDB: TIME 14043.8 LOAD: AVG 0.195237 MAX 0.217955 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.605 MB LDB: TIME 14043.8 LOAD: AVG 0.195237 MAX 0.215638 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.605 MB LDB: ============== END OF LOAD BALANCING =============== 14043.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14043.8 PRESSURE: 4492400 198.66 -42.0786 -60.7505 -42.0771 15.5162 -71.9882 -60.751 -71.9888 234.152 GPRESSURE: 4492400 312.124 -21.513 -8.55798 -33.9328 -11.538 -122.817 30.1902 -122.438 233.859 PRESSAVG: 4492400 44.402 20.9169 8.88132 20.9169 -20.9512 -19.6605 8.88132 -19.6605 4.93197 GPRESSAVG: 4492400 45.8839 20.1837 9.7494 21.3875 -22.5642 -20.2629 9.09058 -18.7977 5.21399 TIMING: 4492400 CPU: 14031.6, 0.00316256/step Wall: 14031.6, 0.00316256/step, 0.445921 hours remaining, 235.148438 MB of memory in use. ENERGY: 4492400 4067.5174 20667.5990 14412.2432 233.2282 -203562.9175 2987.8958 0.0000 0.0000 52170.6259 -109023.8082 299.8253 -161194.4340 -108669.4288 300.2871 149.4424 178.1483 761228.3283 9.4609 9.5112 PRESSURE: 4492600 1.84332 56.2471 -166.728 56.2476 -124.743 78.3815 -166.728 78.3813 2.83015 GPRESSURE: 4492600 16.7417 -31.8528 -157.088 118.787 -57.5004 14.3567 -115.577 111.66 5.29564 PRESSAVG: 4492600 24.2633 2.48848 23.9221 2.48851 49.2621 -29.7316 23.9221 -29.7316 18.8823 GPRESSAVG: 4492600 23.1973 2.78081 25.2025 1.63837 50.8747 -29.5127 25.0386 -31.4447 18.3745 TIMING: 4492600 CPU: 14032.3, 0.00310533/step Wall: 14032.3, 0.00310533/step, 0.437679 hours remaining, 235.203125 MB of memory in use. ENERGY: 4492600 3918.2804 20546.9493 14435.6838 255.4538 -203072.8804 2508.7831 0.0000 0.0000 52230.0919 -109177.6381 300.1671 -161407.7300 -108815.3420 299.9369 -40.0233 -11.8210 762225.4851 30.8026 30.8155 PRESSURE: 4492800 -347.514 -138.888 -46.7904 -138.887 -559.722 23.3013 -46.7902 23.3017 -263.074 GPRESSURE: 4492800 -275.424 -56.8474 -39.1187 -184.924 -415.997 71.8102 -88.1561 17.563 -365.901 PRESSAVG: 4492800 10.9263 -59.1846 -36.7237 -59.1846 -28.0199 -43.6404 -36.7237 -43.6404 -12.6572 GPRESSAVG: 4492800 11.2318 -58.4786 -37.8951 -58.1036 -28.2571 -44.3255 -38.1746 -40.818 -12.1326 TIMING: 4492800 CPU: 14032.9, 0.00308035/step Wall: 14032.9, 0.00308035/step, 0.433988 hours remaining, 235.203125 MB of memory in use. ENERGY: 4492800 4009.7925 20502.3550 14366.3576 262.5956 -202853.6271 2270.6827 0.0000 0.0000 52186.1731 -109255.6706 299.9147 -161441.8437 -108899.3422 299.3799 -390.1035 -352.4405 764533.2365 -9.9169 -9.7193 PRESSURE: 4493000 -146.764 72.6145 35.1076 72.6139 102.206 114.163 35.107 114.162 169.516 GPRESSURE: 4493000 -46.1294 52.6483 -57.5344 70.6734 23.0933 120.245 81.3871 75.7687 210.044 PRESSAVG: 4493000 -38.321 -48.6657 -18.3485 -48.6657 -8.68806 -17.0976 -18.3485 -17.0976 14.7603 GPRESSAVG: 4493000 -37.6767 -49.6151 -19.6378 -50.1726 -7.7264 -16.9754 -16.3077 -19.2435 13.4865 TIMING: 4493000 CPU: 14033.5, 0.00309969/step Wall: 14033.5, 0.00309969/step, 0.43654 hours remaining, 235.269531 MB of memory in use. ENERGY: 4493000 4001.1357 20619.7913 14377.4780 260.3154 -203217.9841 2591.0744 0.0000 0.0000 51921.6689 -109446.5204 298.3945 -161368.1893 -109092.7286 299.2322 41.6524 62.3361 762114.6588 -10.7496 -10.6389 PRESSURE: 4493200 94.8094 -99.6471 153.078 -99.647 125.253 -298.778 153.076 -298.779 -229.378 GPRESSURE: 4493200 120.769 -133.835 62.0764 6.43983 76.0859 -282.213 201.584 -279.215 -112.842 PRESSAVG: 4493200 25.086 -13.5667 -43.3651 -13.5668 -39.0448 -0.356537 -43.3651 -0.356573 8.22719 GPRESSAVG: 4493200 25.0119 -13.3076 -41.6664 -12.5454 -40.3222 0.646286 -46.6962 -1.07058 9.96304 TIMING: 4493200 CPU: 14034.1, 0.00308912/step Wall: 14034.1, 0.00308912/step, 0.43488 hours remaining, 235.269531 MB of memory in use. ENERGY: 4493200 3958.5328 20429.0846 14402.3133 234.7940 -203319.1101 2710.5815 0.0000 0.0000 52334.3153 -109249.4886 300.7660 -161583.8039 -108884.1019 299.6211 -3.1050 28.0041 762189.8770 -1.9105 -1.7824 PRESSURE: 4493400 -628.835 -161.421 3.6378 -161.42 -232.896 -129.105 3.63791 -129.105 -576.356 GPRESSURE: 4493400 -624.265 -177.682 38.5654 -204.843 -209.931 -123.182 15.8661 -140.094 -534.888 PRESSAVG: 4493400 -4.26769 -25.7167 -11.5113 -25.7167 -13.1355 -9.14026 -11.5113 -9.14034 -15.0485 GPRESSAVG: 4493400 -5.91703 -25.1012 -10.3733 -25.029 -11.6716 -10.7115 -11.7159 -6.99968 -14.9334 TIMING: 4493400 CPU: 14034.7, 0.00309619/step Wall: 14034.7, 0.00309619/step, 0.435703 hours remaining, 235.269531 MB of memory in use. ENERGY: 4493400 4103.2979 20520.8749 14462.3902 248.9873 -203271.5460 2354.7681 0.0000 0.0000 52346.3712 -109234.8564 300.8353 -161581.2276 -108861.1708 299.7040 -479.3623 -456.3613 763199.6666 -10.8172 -10.8407 PRESSURE: 4493600 -84.0407 -4.50445 76.2117 -4.50288 114.719 131.298 76.212 131.299 -375.384 GPRESSURE: 4493600 -52.1843 13.3379 199.591 60.9813 137.354 20.7362 18.5592 16.0691 -344.882 PRESSAVG: 4493600 19.1136 -25.042 -18.7858 -25.0419 -65.8567 -14.4652 -18.7858 -14.4651 -18.6249 GPRESSAVG: 4493600 21.0615 -27.0359 -20.2932 -24.0415 -66.0325 -13.9123 -18.2155 -15.0527 -20.2311 TIMING: 4493600 CPU: 14035.3, 0.0030827/step Wall: 14035.3, 0.0030827/step, 0.433633 hours remaining, 235.339844 MB of memory in use. ENERGY: 4493600 4052.9610 20754.2051 14440.9099 243.5941 -203354.5224 2604.2251 0.0000 0.0000 52077.5596 -109181.0676 299.2905 -161258.6272 -108817.3547 299.7186 -114.9017 -86.5706 763216.0751 -21.7893 -21.7340 PRESSURE: 4493800 -264.251 -130.742 118.692 -130.742 -226.213 72.3364 118.693 72.3369 -144.702 GPRESSURE: 4493800 -199.836 -101.171 188.185 -147.682 -209.979 3.2268 63.0228 75.1217 -165.731 PRESSAVG: 4493800 -18.1861 -29.0311 -6.88405 -29.0311 -26.0446 -4.94573 -6.884 -4.94577 0.56895 GPRESSAVG: 4493800 -18.322 -28.195 -6.07405 -30.5022 -26.715 -4.21153 -7.29432 -5.58698 1.36557 TIMING: 4493800 CPU: 14036, 0.00308621/step Wall: 14036, 0.00308621/step, 0.433955 hours remaining, 235.339844 MB of memory in use. ENERGY: 4493800 4102.7120 20598.3312 14430.0750 253.6070 -203295.1120 2716.4327 0.0000 0.0000 51997.5136 -109196.4405 298.8304 -161193.9542 -108838.7247 299.6346 -211.7220 -191.8490 763847.6624 -14.5539 -14.5571 PRESSURE: 4494000 271.91 123.089 -12.4154 123.089 396.893 -96.5772 -12.4147 -96.5784 -229.339 GPRESSURE: 4494000 195.327 27.1658 -71.1278 193.22 435.487 -36.9792 27.6336 -106.732 -103.431 PRESSAVG: 4494000 -11.4999 -41.1039 3.23906 -41.1038 2.90583 12.1741 3.2391 12.1741 4.91086 GPRESSAVG: 4494000 -11.6679 -38.8779 2.60178 -41.6578 2.27423 11.7168 2.56811 13.2513 5.64719 TIMING: 4494000 CPU: 14036.6, 0.00309209/step Wall: 14036.6, 0.00309209/step, 0.43461 hours remaining, 235.339844 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: 4494000 3938.5263 20744.5450 14487.2395 230.5716 -203546.4095 2870.5672 0.0000 0.0000 52113.7573 -109161.2028 299.4985 -161274.9601 -108805.2083 299.6466 146.4880 175.7944 763538.0409 -1.2277 -1.2488 PRESSURE: 4494200 7.98669 -133.893 175.033 -133.894 324.033 102.927 175.033 102.927 -167.352 GPRESSURE: 4494200 37.2604 -96.9621 67.1345 -79.7441 293.222 142.842 190.001 28.6363 -98.7485 PRESSAVG: 4494200 -54.7743 10.9498 30.6202 10.9499 60.7383 -8.41499 30.6202 -8.41513 5.7073 GPRESSAVG: 4494200 -55.235 7.88774 30.7804 11.3857 61.5756 -8.55362 33.863 -9.14817 5.38842 TIMING: 4494200 CPU: 14037.2, 0.00308271/step Wall: 14037.2, 0.00308271/step, 0.43312 hours remaining, 235.339844 MB of memory in use. ENERGY: 4494200 3997.3005 20502.4786 14437.4722 255.2063 -203587.6069 3055.7034 0.0000 0.0000 52200.4149 -109139.0309 299.9965 -161339.4459 -108780.0551 299.8593 54.8890 77.2448 763818.8009 3.8904 3.9097 PRESSURE: 4494400 74.3694 -47.5363 -156.847 -47.5373 -66.118 -27.0163 -156.847 -27.016 33.4729 GPRESSURE: 4494400 159.242 -19.5151 -101.298 17.2319 -29.6286 -42.7036 -245.415 -54.2246 14.788 PRESSAVG: 4494400 -32.659 -38.8612 77.8346 -38.8611 22.8534 -42.4627 77.8346 -42.4626 14.644 GPRESSAVG: 4494400 -31.5547 -37.1619 78.2083 -37.3346 21.5574 -42.495 74.9802 -42.7417 14.6967 TIMING: 4494400 CPU: 14037.8, 0.00308236/step Wall: 14037.8, 0.00308236/step, 0.4329 hours remaining, 235.339844 MB of memory in use. ENERGY: 4494400 4004.4965 20367.5497 14434.9404 254.0031 -203046.1899 2668.7648 0.0000 0.0000 52351.7510 -108964.6842 300.8662 -161316.4353 -108597.1797 299.7247 13.9081 48.1337 764352.0077 1.6128 1.5665 PRESSURE: 4494600 56.37 45.3613 -3.35243 45.3604 -36.1109 -66.9776 -3.35167 -66.9783 121.258 GPRESSURE: 4494600 109.63 76.1953 69.987 -41.1933 30.4793 -148.082 11.8684 -146.935 83.8476 PRESSAVG: 4494600 -47.0794 -19.2566 33.1617 -19.2566 40.5378 -5.3615 33.1618 -5.3614 -12.1658 GPRESSAVG: 4494600 -47.1176 -19.3871 33.4343 -19.788 40.6021 -6.07731 34.7219 -4.09863 -12.2266 TIMING: 4494600 CPU: 14038.4, 0.00309546/step Wall: 14038.4, 0.00309546/step, 0.434568 hours remaining, 235.339844 MB of memory in use. ENERGY: 4494600 4065.5966 20622.0043 14495.2746 227.8933 -203420.1487 2663.7423 0.0000 0.0000 52363.6191 -108982.0185 300.9344 -161345.6376 -108614.9039 299.7185 47.1722 74.6524 763801.3493 -6.2358 -6.2474 PRESSURE: 4494800 153.687 -11.2421 -65.8991 -11.2429 151.494 54.4563 -65.9005 54.4571 134.418 GPRESSURE: 4494800 131.639 -84.3337 -112.83 -69.0797 300.441 126.432 -6.7913 0.221606 111.488 PRESSAVG: 4494800 -9.69502 34.8877 36.5118 34.8877 -10.9526 -30.0441 36.5119 -30.0442 8.4975 GPRESSAVG: 4494800 -10.8647 33.8009 36.116 32.9791 -9.63986 -30.2203 35.7783 -30.9421 9.19455 TIMING: 4494800 CPU: 14039, 0.00309947/step Wall: 14039, 0.00309947/step, 0.434959 hours remaining, 235.339844 MB of memory in use. ENERGY: 4494800 4092.8188 20642.4440 14421.1696 258.2836 -203407.2611 2909.0287 0.0000 0.0000 51965.0428 -109118.4736 298.6438 -161083.5164 -108755.5678 299.5338 146.5329 181.1896 763436.0668 -4.0500 -3.7700 PRESSURE: 4495000 365.299 -204.778 206.86 -204.777 250.891 -333.126 206.86 -333.126 34.1456 GPRESSURE: 4495000 384.977 -103.449 100.568 -162.112 261.556 -141.858 218.436 -220.241 86.5285 PRESSAVG: 4495000 12.5536 -34.4977 2.45986 -34.4976 29.3159 -18.4061 2.45984 -18.4062 -4.97052 GPRESSAVG: 4495000 14.0362 -33.942 2.5286 -33.9752 27.4218 -16.2522 3.24536 -20.4464 -4.70711 TIMING: 4495000 CPU: 14039.7, 0.00310386/step Wall: 14039.7, 0.00310386/step, 0.435402 hours remaining, 235.339844 MB of memory in use. ENERGY: 4495000 4020.1808 20663.9004 14380.6307 260.4516 -203012.1769 2745.9988 0.0000 0.0000 51900.6396 -109040.3751 298.2737 -160941.0147 -108670.6940 299.3927 216.7788 244.3538 762754.1042 12.2996 12.2503 PRESSURE: 4495200 3.76793 -53.2804 24.5619 -53.2806 269.165 -7.22087 24.5614 -7.22089 10.1176 GPRESSURE: 4495200 -41.2783 -79.1178 3.24211 0.078136 321.348 -62.7489 9.82639 -77.7364 77.6328 PRESSAVG: 4495200 -32.3471 -27.5417 0.783721 -27.5417 -6.06338 -31.2255 0.783762 -31.2255 5.17999 GPRESSAVG: 4495200 -33.6247 -28.0885 1.4802 -26.1688 -4.98666 -31.2834 -0.539709 -31.8359 5.18751 TIMING: 4495200 CPU: 14040.3, 0.00310522/step Wall: 14040.3, 0.00310522/step, 0.435421 hours remaining, 235.339844 MB of memory in use. ENERGY: 4495200 4014.1658 20562.1989 14441.2838 230.4841 -203087.9779 2728.3586 0.0000 0.0000 52320.3690 -108791.1177 300.6859 -161111.4867 -108429.0490 299.9273 94.3501 119.2341 764643.5310 -11.0768 -11.1413 PRESSURE: 4495400 119.185 156.312 -11.6786 156.313 -307.595 96.8929 -11.6788 96.8922 -159.349 GPRESSURE: 4495400 107.461 43.6404 -136.266 212.546 -170.381 63.8204 -47.7788 184.589 -198.425 PRESSAVG: 4495400 4.56541 -35.5021 40.3158 -35.5021 22.1977 -53.4538 40.3158 -53.4538 -9.02252 GPRESSAVG: 4495400 5.64274 -36.3438 39.1413 -36.3695 22.1813 -55.055 41.8181 -50.8509 -10.0984 TIMING: 4495400 CPU: 14040.9, 0.00310539/step Wall: 14040.9, 0.00310539/step, 0.435272 hours remaining, 235.339844 MB of memory in use. ENERGY: 4495400 4014.8622 20517.3039 14459.7532 220.9399 -203122.0259 2694.7240 0.0000 0.0000 52352.0894 -108862.3534 300.8682 -161214.4428 -108499.6037 300.2576 -115.9198 -87.1153 763285.4308 5.9135 5.9085 PRESSURE: 4495600 67.9734 -211.221 -296.1 -211.221 -234.015 31.334 -296.101 31.334 -303.937 GPRESSURE: 4495600 54.9193 -28.4769 -313.028 -237.552 -161.238 -53.6515 -127.446 41.2585 -293.134 PRESSAVG: 4495600 0.649525 -38.9518 6.13122 -38.9517 17.9614 3.43739 6.13119 3.43738 26.176 GPRESSAVG: 4495600 0.935379 -36.3945 7.2197 -40.2118 17.4351 3.09497 4.16535 2.35149 26.199 TIMING: 4495600 CPU: 14041.5, 0.00309656/step Wall: 14041.5, 0.00309656/step, 0.433862 hours remaining, 235.339844 MB of memory in use. ENERGY: 4495600 4011.6689 20647.7726 14427.5353 255.9908 -203253.0570 2798.0219 0.0000 0.0000 52187.6991 -108924.3684 299.9234 -161112.0675 -108576.2935 299.9903 -156.6598 -133.1510 763687.2813 14.9290 14.8565 PRESSURE: 4495800 -277.207 114.576 144.998 114.575 -305.222 139.947 145 139.948 -161.122 GPRESSURE: 4495800 -217.17 38.2997 116.759 155.679 -308.822 68.0342 165.759 55.3597 -136.859 PRESSAVG: 4495800 -5.85536 -27.4884 -55.7711 -27.4883 -2.77634 52.7192 -55.7711 52.7192 -35.5548 GPRESSAVG: 4495800 -5.89273 -29.0336 -56.8583 -25.8303 -3.36214 53.358 -53.2507 52.4034 -34.7759 TIMING: 4495800 CPU: 14042.2, 0.00309543/step Wall: 14042.2, 0.00309543/step, 0.433532 hours remaining, 235.339844 MB of memory in use. ENERGY: 4495800 4013.5397 20551.7710 14293.9056 234.6790 -203115.3841 2898.3649 0.0000 0.0000 52090.7501 -109032.3738 299.3663 -161123.1239 -108666.4788 299.9670 -247.8504 -220.9502 764977.9461 -14.7288 -14.6769 PRESSURE: 4496000 150.067 -95.9046 -36.2372 -95.9046 -102.744 -41.8296 -36.2372 -41.829 -226.02 GPRESSURE: 4496000 216.926 -103.555 -23.1239 -82.3347 -67.9704 6.82671 40.6213 34.8176 -224.526 PRESSAVG: 4496000 3.33746 -56.2562 14.8195 -56.2563 -65.2025 25.0639 14.8196 25.064 14.6725 GPRESSAVG: 4496000 2.24544 -57.1502 14.7573 -57.1484 -64.4186 26.9736 13.722 26.5986 14.9914 TIMING: 4496000 CPU: 14042.8, 0.00309715/step Wall: 14042.8, 0.00309715/step, 0.433601 hours remaining, 235.339844 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: 4496000 4057.4251 20396.6476 14363.0306 231.8871 -202995.6298 2855.9149 0.0000 0.0000 52020.0206 -109070.7040 298.9598 -161090.7246 -108708.7580 299.5832 -59.5657 -25.1898 764886.8498 -15.7309 -15.7272 PRESSURE: 4496200 -170.915 25.2574 -11.495 25.257 258.353 53.0943 -11.4953 53.0945 -213.862 GPRESSURE: 4496200 -10.5136 -7.38544 44.5063 64.2222 187.622 5.81021 7.66038 28.6431 -217.381 PRESSAVG: 4496200 -86.5951 -17.5446 13.2838 -17.5446 51.4869 -20.4401 13.2839 -20.4402 -5.60959 GPRESSAVG: 4496200 -85.2538 -17.7691 12.7777 -14.5114 51.3993 -23.1321 14.8927 -21.0202 -6.33206 TIMING: 4496200 CPU: 14043.4, 0.00309679/step Wall: 14043.4, 0.00309679/step, 0.433379 hours remaining, 235.339844 MB of memory in use. ENERGY: 4496200 3980.5280 20551.0045 14362.4373 232.6544 -203069.5026 2803.7207 0.0000 0.0000 52088.7777 -109050.3801 299.3549 -161139.1577 -108694.2151 299.2988 -42.1410 -13.4240 763965.0527 -13.5726 -13.3955 LDB: ============= START OF LOAD BALANCING ============== 14055.9 LDB: ============== END OF LOAD BALANCING =============== 14055.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14055.9 LDB: ============= START OF LOAD BALANCING ============== 14056.2 LDB: Largest compute 7038 load 0.032094 is 16.4% of average load 0.195224 LDB: Average compute 0.004400 is 2.3% of average load 0.195224 LDB: TIME 14056.2 LOAD: AVG 0.195224 MAX 0.218586 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.234 MB LDB: TIME 14056.2 LOAD: AVG 0.195224 MAX 0.218586 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.234 MB LDB: TIME 14056.2 LOAD: AVG 0.195224 MAX 0.214564 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.234 MB LDB: ============== END OF LOAD BALANCING =============== 14056.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14056.2 PRESSURE: 4496400 284.419 53.0087 191.65 53.0085 -126.541 -136.796 191.65 -136.796 -90.0569 GPRESSURE: 4496400 278.013 11.8688 224.448 227.753 -104.115 -37.3652 163.287 -117.324 -22.8436 PRESSAVG: 4496400 4.47433 -62.8688 62.9468 -62.8688 -21.1661 -24.7069 62.9468 -24.7069 0.895213 GPRESSAVG: 4496400 4.92533 -61.3986 62.6118 -65.3742 -20.8372 -23.4985 58.8529 -26.7212 0.37963 TIMING: 4496400 CPU: 14044, 0.00316245/step Wall: 14044, 0.00316245/step, 0.442391 hours remaining, 235.140625 MB of memory in use. ENERGY: 4496400 3947.1972 20645.6192 14415.5271 255.3198 -203493.3786 2882.7290 0.0000 0.0000 52206.4185 -109140.5679 300.0310 -161346.9864 -108775.9603 299.9402 22.6071 50.3517 762916.1737 -5.2655 -5.1774 PRESSURE: 4496600 -263.442 -135.177 96.7469 -135.177 -93.6611 -189.397 96.7471 -189.398 33.7965 GPRESSURE: 4496600 -175.395 -110.39 211.031 -2.68768 -26.9304 -269.027 118.446 -162.447 -37.4636 PRESSAVG: 4496600 -7.23176 -47.1483 -39.8102 -47.1483 -16.8816 -50.6011 -39.8101 -50.6011 -22.6226 GPRESSAVG: 4496600 -8.06963 -48.0761 -38.6295 -45.9155 -16.6731 -50.4325 -38.4359 -49.8607 -22.1319 TIMING: 4496600 CPU: 14044.6, 0.0030988/step Wall: 14044.6, 0.00309879/step, 0.433315 hours remaining, 235.207031 MB of memory in use. ENERGY: 4496600 4074.3172 20582.1586 14347.9433 256.5497 -203016.0158 2522.3304 0.0000 0.0000 52247.8691 -108984.8474 300.2692 -161232.7165 -108618.7497 299.8741 -107.7689 -79.9296 762706.4308 -15.5787 -15.6249 PRESSURE: 4496800 301.561 -73.3803 -240.74 -73.38 -528.557 208.772 -240.741 208.773 -8.7463 GPRESSURE: 4496800 192.413 131.485 -202.038 -69.7887 -328.548 162.207 -138.775 198.199 -29.573 PRESSAVG: 4496800 18.1551 -32.5138 2.0247 -32.5137 -15.3597 -69.9652 2.02475 -69.9651 3.44088 GPRESSAVG: 4496800 17.5925 -30.9714 1.40621 -32.5684 -14.884 -70.4731 4.85854 -69.1941 3.23545 TIMING: 4496800 CPU: 14045.3, 0.00308301/step Wall: 14045.3, 0.00308301/step, 0.430936 hours remaining, 235.207031 MB of memory in use. ENERGY: 4496800 4020.9212 20604.3451 14413.5370 246.1130 -203034.4141 2520.9213 0.0000 0.0000 52043.4717 -109185.1049 299.0945 -161228.5765 -108818.6295 300.1123 -78.5809 -55.2359 761105.1868 2.0788 1.9813 PRESSURE: 4497000 61.7737 183.529 32.4574 183.529 372.185 -74.5157 32.4571 -74.516 -31.4388 GPRESSURE: 4497000 10.7926 155.325 56.6687 136.347 485.181 -133.373 53.4151 -119.345 -7.17557 PRESSAVG: 4497000 -7.67382 37.677 -57.8445 37.677 10.0268 -55.8662 -57.8445 -55.8663 8.43448 GPRESSAVG: 4497000 -6.84001 34.4128 -58.8849 37.2993 8.72048 -55.4393 -60.4277 -55.8389 8.87319 TIMING: 4497000 CPU: 14045.9, 0.0030861/step Wall: 14045.9, 0.0030861/step, 0.431196 hours remaining, 235.207031 MB of memory in use. ENERGY: 4497000 4062.8755 20535.2941 14383.0399 242.4682 -203170.9067 2644.5351 0.0000 0.0000 52019.3236 -109283.3704 298.9558 -161302.6940 -108924.7009 299.0029 134.1734 162.9327 762582.6596 3.5958 3.5846 PRESSURE: 4497200 171.666 -69.6625 73.4139 -69.6629 -436.205 -71.6015 73.4135 -71.6021 -114.912 GPRESSURE: 4497200 178.006 1.65957 14.7997 -96.3224 -320.306 -66.4474 -9.92637 -63.4166 -147.119 PRESSAVG: 4497200 24.2071 -2.60272 -13.6037 -2.6027 -23.3984 11.2556 -13.6037 11.2555 9.40376 GPRESSAVG: 4497200 24.5996 -1.25787 -12.5873 -0.824155 -22.6373 11.1553 -13.7381 11.8616 8.61729 TIMING: 4497200 CPU: 14046.5, 0.00309204/step Wall: 14046.5, 0.00309204/step, 0.431855 hours remaining, 235.207031 MB of memory in use. ENERGY: 4497200 4109.3174 20385.5175 14414.5040 249.2246 -203313.2801 2736.7032 0.0000 0.0000 52157.9957 -109260.0177 299.7527 -161418.0133 -108895.9493 299.5459 -126.4836 -96.4729 762695.2874 3.4041 3.5266 PRESSURE: 4497400 -16.4604 -172.462 174.584 -172.462 15.233 8.76582 174.583 8.76515 116.065 GPRESSURE: 4497400 21.8685 -172.803 136.486 -82.4668 60.5581 7.24209 207.556 84.1402 122.76 PRESSAVG: 4497400 68.1547 30.3119 23.9094 30.3119 -61.2177 -18.5379 23.9094 -18.5379 -3.46098 GPRESSAVG: 4497400 67.6492 30.3145 24.0182 29.333 -61.4426 -19.125 25.5376 -20.0446 -3.25822 TIMING: 4497400 CPU: 14047.1, 0.00309779/step Wall: 14047.1, 0.00309779/step, 0.432487 hours remaining, 235.207031 MB of memory in use. ENERGY: 4497400 4006.5156 20481.9152 14361.4687 256.4120 -203409.7688 2660.1423 0.0000 0.0000 52321.7611 -109321.5538 300.6939 -161643.3150 -108957.6029 299.5934 38.2794 68.3957 762736.9762 1.1587 0.9828 PRESSURE: 4497600 -121.28 -34.4805 90.8477 -34.4807 -49.3166 -70.785 90.8475 -70.7847 114.249 GPRESSURE: 4497600 20.1029 39.713 112.725 65.9535 -67.9751 11.3815 103.234 -98.5322 78.764 PRESSAVG: 4497600 4.02762 -37.8262 -29.5417 -37.8262 -56.7441 9.92819 -29.5417 9.92826 -1.77563 GPRESSAVG: 4497600 3.40536 -36.3844 -31.115 -38.2445 -57.1398 11.6973 -30.9525 12.5453 -0.210812 TIMING: 4497600 CPU: 14047.7, 0.00307406/step Wall: 14047.7, 0.00307406/step, 0.429002 hours remaining, 235.207031 MB of memory in use. ENERGY: 4497600 3991.8389 20486.6030 14494.6004 235.0087 -203283.3878 2709.5395 0.0000 0.0000 52057.1979 -109308.5993 299.1734 -161365.7973 -108935.7326 299.0427 -18.7824 10.2973 762319.9045 -18.1640 -17.9818 PRESSURE: 4497800 -200.207 149.711 -108.514 149.711 -69.7445 201.835 -108.515 201.837 45.5975 GPRESSURE: 4497800 -18.6582 142.868 -12.4146 128.313 -119.885 254.224 -122.042 71.1229 -7.84243 PRESSAVG: 4497800 47.2452 18.5074 -47.3838 18.5073 -34.1292 29.4351 -47.3839 29.435 8.303 GPRESSAVG: 4497800 48.0195 16.9505 -46.2345 19.0296 -33.5161 29.372 -46.9427 26.7046 6.82982 TIMING: 4497800 CPU: 14048.3, 0.00308421/step Wall: 14048.3, 0.00308421/step, 0.430247 hours remaining, 235.207031 MB of memory in use. ENERGY: 4497800 4003.9572 20535.4138 14427.1734 245.5730 -203428.0791 2776.5593 0.0000 0.0000 52139.4376 -109299.9648 299.6461 -161439.4024 -108928.5422 299.2512 -74.7846 -48.7951 763543.4802 7.1397 7.1111 PRESSURE: 4498000 120.02 273.52 -84.0087 273.519 -325.121 -167.091 -84.0092 -167.091 -354.97 GPRESSURE: 4498000 101.856 217.539 -54.0607 225.974 -257.168 -99.5855 23.291 -186.118 -312.47 PRESSAVG: 4498000 27.7324 63.5076 32.5393 63.5076 -43.9597 9.12532 32.5393 9.1253 -13.556 GPRESSAVG: 4498000 26.7172 63.5482 31.9268 63.7637 -44.7467 8.03419 32.3483 8.39412 -12.1528 TIMING: 4498000 CPU: 14049, 0.00307871/step Wall: 14049, 0.0030787/step, 0.429308 hours remaining, 235.207031 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: 4498000 4031.0435 20509.5700 14365.7738 263.1071 -203653.8175 2804.7925 0.0000 0.0000 52243.6519 -109435.8787 300.2450 -161679.5306 -109071.0713 299.6900 -186.6903 -155.9276 762478.0523 -9.9278 -10.0608 PRESSURE: 4498200 -97.1358 -191.67 -55.2614 -191.669 -220.174 -40.7605 -55.2614 -40.7613 -189.937 GPRESSURE: 4498200 -32.7061 -263.021 9.30933 -246.094 -201.271 -7.35807 2.91215 21.0763 -184.443 PRESSAVG: 4498200 -18.5733 3.20329 -3.0085 3.20332 24.3845 -70.0696 -3.00848 -70.0695 24.5328 GPRESSAVG: 4498200 -17.6926 3.23694 -2.26688 1.87231 24.8523 -69.4966 -4.31609 -68.4264 23.2321 TIMING: 4498200 CPU: 14049.6, 0.00308731/step Wall: 14049.6, 0.00308731/step, 0.430336 hours remaining, 235.207031 MB of memory in use. ENERGY: 4498200 4017.8426 20590.1118 14423.4009 255.6324 -203509.5605 2898.2915 0.0000 0.0000 51949.0910 -109375.1903 298.5521 -161324.2813 -109015.2661 299.2678 -169.0822 -139.4732 762322.1188 10.1147 10.1306 PRESSURE: 4498400 -125.529 -35.7494 34.9875 -35.7496 229.28 -57.4544 34.9873 -57.4556 -79.8246 GPRESSURE: 4498400 -157.171 64.3313 -19.9193 -51.8247 227.771 23.1411 -115.824 -38.499 46.0371 PRESSAVG: 4498400 43.5518 -5.71691 -69.3074 -5.71696 -12.7753 -37.9206 -69.3074 -37.9207 -6.25266 GPRESSAVG: 4498400 42.8765 -4.02856 -69.6638 -6.50502 -11.5921 -39.0127 -67.7947 -37.8684 -6.62717 TIMING: 4498400 CPU: 14050.2, 0.00308759/step Wall: 14050.2, 0.00308759/step, 0.430204 hours remaining, 235.207031 MB of memory in use. ENERGY: 4498400 3989.8468 20664.7543 14423.2869 234.4055 -203413.1840 2673.7803 0.0000 0.0000 51912.5603 -109514.5497 298.3422 -161427.1101 -109151.8068 299.2693 7.9756 38.8789 761290.7419 8.1746 8.2191 PRESSURE: 4498600 175.443 22.8214 138.284 22.8202 23.5713 161.851 138.284 161.852 137.273 GPRESSURE: 4498600 195.601 -74.8236 184.055 -127.203 19.2885 136.47 184.792 233.412 204.399 PRESSAVG: 4498600 12.2059 21.4721 -30.9851 21.472 7.95549 21.5878 -30.9851 21.5878 41.0899 GPRESSAVG: 4498600 11.9016 20.607 -29.5564 22.41 7.67087 21.62 -31.6181 19.3435 41.6979 TIMING: 4498600 CPU: 14050.8, 0.00308317/step Wall: 14050.8, 0.00308317/step, 0.429418 hours remaining, 235.207031 MB of memory in use. ENERGY: 4498600 3947.4808 20408.8704 14458.2520 242.6295 -203952.0382 3066.3572 0.0000 0.0000 52289.9248 -109538.5234 300.5109 -161828.4482 -109174.9180 299.2814 112.0957 139.7627 760126.9240 20.4171 20.4234 PRESSURE: 4498800 -585.211 -116.692 0.400671 -116.692 -200.951 94.533 0.400764 94.5338 -73.5656 GPRESSURE: 4498800 -425.935 -60.3568 54.362 -77.0714 -146.162 41.3491 -45.3385 -47.1185 -200.522 PRESSAVG: 4498800 6.67829 -19.614 20.1258 -19.614 19.7832 -4.42761 20.1258 -4.42761 -14.8144 GPRESSAVG: 4498800 7.47682 -20.5724 18.9538 -20.9619 17.9273 -3.74086 20.0867 -1.52541 -14.1206 TIMING: 4498800 CPU: 14051.4, 0.00308673/step Wall: 14051.4, 0.00308673/step, 0.429742 hours remaining, 235.207031 MB of memory in use. ENERGY: 4498800 4041.0863 20653.7959 14398.4187 232.8866 -203341.9549 2530.2181 0.0000 0.0000 52104.7173 -109380.8320 299.4465 -161485.5493 -109017.8689 299.5539 -286.5759 -257.5396 761443.4485 3.8824 3.7612 PRESSURE: 4499000 267.767 29.8006 230.471 29.8021 -129.762 -144.949 230.471 -144.949 321.139 GPRESSURE: 4499000 257.905 10.7835 215.443 124.1 66.061 -134.078 294.585 -170.94 208.926 PRESSAVG: 4499000 0.107325 -14.1945 -2.12375 -14.1945 -22.0884 32.7226 -2.12372 32.7227 20.2653 GPRESSAVG: 4499000 -0.127788 -13.1631 -2.40969 -13.9226 -20.1304 33.1779 -1.68428 31.1675 18.5592 TIMING: 4499000 CPU: 14052, 0.00309833/step Wall: 14052, 0.00309833/step, 0.431184 hours remaining, 235.207031 MB of memory in use. ENERGY: 4499000 3955.2768 20480.1168 14499.8857 252.2224 -203526.7894 2877.7343 0.0000 0.0000 52197.5008 -109264.0525 299.9798 -161461.5534 -108905.0749 299.3198 153.0479 177.6306 761314.9736 -0.5719 -0.5663 PRESSURE: 4499200 -135.301 41.7395 92.5496 41.7404 -120.376 93.2295 92.5494 93.2294 238.43 GPRESSURE: 4499200 -104.124 41.027 86.8275 10.126 -97.2092 24.7841 119.86 -11.5879 279.617 PRESSAVG: 4499200 -45.182 5.87795 47.9462 5.87796 14.9342 -23.5163 47.9462 -23.5163 -5.33635 GPRESSAVG: 4499200 -44.5104 5.06939 49.3557 6.73041 14.6979 -24.8795 47.2483 -21.1389 -5.9687 TIMING: 4499200 CPU: 14052.7, 0.00309509/step Wall: 14052.7, 0.00309509/step, 0.430561 hours remaining, 235.207031 MB of memory in use. ENERGY: 4499200 4028.6411 20525.9629 14419.5296 241.5863 -202887.5912 2498.2318 0.0000 0.0000 51992.9460 -109180.6935 298.8042 -161173.6394 -108823.9667 299.1679 -5.7491 26.0944 762142.7365 -11.8614 -11.9271 PRESSURE: 4499400 -167.464 -9.16393 -16.6372 -9.16354 -215.268 -180.59 -16.6369 -180.591 -42.0266 GPRESSURE: 4499400 -61.2472 -29.8246 0.528458 104.269 -167.13 -16.2925 -8.58806 -195.207 -111.138 PRESSAVG: 4499400 -5.19929 -18.7885 56.8183 -18.7885 20.9887 11.1131 56.8182 11.1131 -1.62651 GPRESSAVG: 4499400 -5.09205 -16.6172 54.9089 -19.7517 20.1398 12.8097 55.6022 7.92842 -0.516997 TIMING: 4499400 CPU: 14053.3, 0.00311503/step Wall: 14053.3, 0.00311503/step, 0.433162 hours remaining, 235.207031 MB of memory in use. ENERGY: 4499400 3928.4551 20548.2753 14458.2579 238.9667 -203222.0293 2766.8019 0.0000 0.0000 52195.4085 -109085.8639 299.9677 -161281.2724 -108729.0890 299.7467 -141.5863 -113.1714 760376.1035 4.7210 4.8436 PRESSURE: 4499600 329.571 -101.936 193.865 -101.935 -132.365 87.7456 193.865 87.7451 -82.0329 GPRESSURE: 4499600 263.086 -90.3458 158.566 -225.844 53.1835 43.4711 192.145 184.896 -107.951 PRESSAVG: 4499600 -14.1631 -8.46603 47.5854 -8.46604 19.1239 10.2851 47.5853 10.2851 -19.885 GPRESSAVG: 4499600 -14.9595 -8.46627 47.7463 -8.94968 19.7894 9.47609 49.1201 10.648 -19.6005 TIMING: 4499600 CPU: 14053.9, 0.00310221/step Wall: 14053.9, 0.00310221/step, 0.431207 hours remaining, 235.207031 MB of memory in use. ENERGY: 4499600 3998.4702 20537.1373 14450.8557 255.4064 -202706.1619 2483.1256 0.0000 0.0000 51949.0286 -109032.1381 298.5518 -160981.1667 -108676.5024 299.5739 38.3911 69.4396 761825.5655 -4.9747 -4.9235 PRESSURE: 4499800 -205.694 74.6489 58.994 74.6485 -21.71 -74.4675 58.9939 -74.4687 94.253 GPRESSURE: 4499800 -109.965 132.323 -37.5793 71.0732 -104.425 -8.8517 94.0842 -189.604 140.777 PRESSAVG: 4499800 27.6379 -8.48139 35.421 -8.48135 -8.84193 13.1179 35.421 13.1179 5.44299 GPRESSAVG: 4499800 26.7929 -8.90901 35.3331 -8.90973 -9.10704 12.3211 35.2066 13.7429 6.81281 TIMING: 4499800 CPU: 14054.5, 0.00311073/step Wall: 14054.5, 0.00311073/step, 0.432218 hours remaining, 235.207031 MB of memory in use. ENERGY: 4499800 4012.6088 20632.3859 14420.4810 243.7952 -203359.6686 2766.1563 0.0000 0.0000 52406.0967 -108878.1446 301.1786 -161284.2413 -108522.6009 299.8947 -44.3838 -24.5374 761050.3817 8.0797 8.1662 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 4500000 WRITING COORDINATES TO RESTART FILE AT STEP 4500000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4500000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4500000 192.376 11.1184 -15.8715 11.1181 333.909 -125.601 -15.8714 -125.603 281.136 GPRESSURE: 4500000 262.942 134.381 53.9928 36.2272 281.894 30.529 117.955 -137.728 355.724 PRESSAVG: 4500000 -9.82071 -27.7404 -3.88018 -27.7405 7.75661 -7.20155 -3.88021 -7.20164 3.46988 GPRESSAVG: 4500000 -9.27451 -29.1731 -2.73464 -26.0241 7.78793 -5.45149 -4.1254 -6.82189 2.59604 TIMING: 4500000 CPU: 14055.2, 0.00323371/step Wall: 14055.2, 0.00323371/step, 0.449126 hours remaining, 235.207031 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: 4500000 3961.4035 20348.0214 14454.2798 275.7176 -203302.4182 2889.2889 0.0000 0.0000 52260.0586 -109113.6484 300.3393 -161373.7070 -108742.6142 299.8957 269.1401 300.1870 763272.9619 0.4686 0.3698 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4500000 PRESSURE: 4500200 66.0962 -2.35229 119.384 -2.35213 1.40532 -142.948 119.384 -142.949 428.77 GPRESSURE: 4500200 79.4833 -152.673 125.829 -60.515 85.5147 -24.5578 128.304 -212.855 430.751 PRESSAVG: 4500200 31.3283 -3.10692 -40.5086 -3.10696 -4.34209 15.0053 -40.5086 15.0053 10.2633 GPRESSAVG: 4500200 30.201 -2.44473 -41.1924 -3.77421 -3.10678 15.2681 -39.9839 13.9428 10.3003 TIMING: 4500200 CPU: 14055.8, 0.00310436/step Wall: 14055.8, 0.00310436/step, 0.430989 hours remaining, 235.207031 MB of memory in use. ENERGY: 4500200 3934.6151 20462.1311 14492.0380 226.5437 -203414.8585 2981.8907 0.0000 0.0000 52112.7997 -109204.8403 299.4930 -161317.6399 -108837.1333 299.6175 165.4240 198.5828 761670.8298 12.4165 12.4648 LDB: ============= START OF LOAD BALANCING ============== 14068.3 LDB: ============== END OF LOAD BALANCING =============== 14068.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14068.3 LDB: ============= START OF LOAD BALANCING ============== 14068.6 LDB: Largest compute 7037 load 0.030564 is 15.6% of average load 0.195327 LDB: Average compute 0.004392 is 2.2% of average load 0.195327 LDB: TIME 14068.6 LOAD: AVG 0.195327 MAX 0.217548 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.086 MB LDB: TIME 14068.6 LOAD: AVG 0.195327 MAX 0.217548 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.086 MB LDB: TIME 14068.6 LOAD: AVG 0.195327 MAX 0.217548 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.086 MB LDB: ============== END OF LOAD BALANCING =============== 14068.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14068.6 PRESSURE: 4500400 -412.983 -127.809 77.7563 -127.809 -356.361 -7.28616 77.7555 -7.28645 -127.739 GPRESSURE: 4500400 -402.506 -120.374 85.1089 -87.3189 -290.69 14.1381 19.923 -100.832 -135.046 PRESSAVG: 4500400 22.8371 -53.795 -15.9476 -53.795 -40.3349 -84.3277 -15.9476 -84.3277 -13.6848 GPRESSAVG: 4500400 24.6476 -53.9696 -16.5228 -51.9768 -41.7439 -84.033 -16.0204 -85.3274 -14.6049 TIMING: 4500400 CPU: 14056.4, 0.00317718/step Wall: 14056.4, 0.00317718/step, 0.440922 hours remaining, 235.714844 MB of memory in use. ENERGY: 4500400 3930.1911 20464.2022 14420.8060 237.6247 -203158.2964 2587.8967 0.0000 0.0000 52182.4820 -109335.0936 299.8934 -161517.5756 -108966.2073 299.2854 -299.0275 -276.0806 763946.2625 -10.3942 -10.5670 PRESSURE: 4500600 259.641 -30.0128 -8.85829 -30.0125 7.71819 -121.576 -8.85814 -121.577 149.068 GPRESSURE: 4500600 254.968 41.997 50.9925 4.56389 52.1349 -191.209 69.137 -217.489 197.258 PRESSAVG: 4500600 -77.2969 10.8456 19.3392 10.8456 63.0181 -34.779 19.3392 -34.779 -9.48131 GPRESSAVG: 4500600 -78.086 11.82 20.5374 9.92162 62.8185 -36.7284 18.8168 -35.537 -8.8329 TIMING: 4500600 CPU: 14057.1, 0.00311299/step Wall: 14057.1, 0.00311299/step, 0.431841 hours remaining, 236.316406 MB of memory in use. ENERGY: 4500600 3983.8265 20475.0644 14460.4893 240.5515 -203259.5931 2992.3564 0.0000 0.0000 51841.6237 -109265.6812 297.9345 -161107.3050 -108904.1590 299.2685 138.8089 168.1202 763998.0170 -7.9200 -8.0335 PRESSURE: 4500800 -343.673 25.8185 -74.595 25.8181 -333.575 44.3527 -74.5947 44.352 110.252 GPRESSURE: 4500800 -213.547 34.6505 -69.8838 53.1298 -338.036 94.354 -207.406 -24.2219 74.4639 PRESSAVG: 4500800 40.058 23.1705 35.3841 23.1706 37.5426 15.6898 35.3841 15.6899 -7.38233 GPRESSAVG: 4500800 40.0801 23.0257 35.1319 23.6047 37.5761 16.467 37.0158 16.2579 -7.42461 TIMING: 4500800 CPU: 14057.7, 0.00310157/step Wall: 14057.7, 0.00310157/step, 0.430085 hours remaining, 236.316406 MB of memory in use. ENERGY: 4500800 4010.9033 20428.4092 14508.9458 239.4583 -202937.3229 2416.5383 0.0000 0.0000 52085.5806 -109247.4874 299.3365 -161333.0680 -108887.0242 299.5626 -188.9986 -159.0399 761946.1564 23.4061 23.4105 PRESSURE: 4501000 141.261 -92.7855 -15.3322 -92.7849 254.547 -75.0456 -15.3317 -75.046 385.637 GPRESSURE: 4501000 226.4 -56.5821 11.2237 -56.0021 184.822 -107.757 -0.62938 -2.2888 457.095 PRESSAVG: 4501000 21.3405 -50.5696 36.7273 -50.5696 -7.66821 -25.4071 36.7273 -25.4071 25.3236 GPRESSAVG: 4501000 22.0848 -52.2376 35.6712 -50.7139 -7.18764 -25.8711 35.8678 -25.3208 23.9925 TIMING: 4501000 CPU: 14058.3, 0.00308236/step Wall: 14058.3, 0.00308236/step, 0.427249 hours remaining, 236.316406 MB of memory in use. ENERGY: 4501000 3955.8726 20423.7911 14473.4187 235.7382 -203578.9747 3093.3520 0.0000 0.0000 52043.2897 -109353.5124 299.0935 -161396.8021 -108991.9267 299.1648 260.4815 289.4387 761971.0924 12.9986 12.9632 PRESSURE: 4501200 74.7277 -173.102 -163.022 -173.101 71.417 66.9237 -163.022 66.9223 3.88605 GPRESSURE: 4501200 147.984 -325.495 -142.407 -284.788 72.6506 -20.7844 17.0395 111.012 14.9149 PRESSAVG: 4501200 -0.0195108 -45.1306 1.79247 -45.1307 18.1413 26.4157 1.79245 26.4158 8.24716 GPRESSAVG: 4501200 -0.225922 -44.3966 3.45875 -46.7418 17.9594 25.8367 1.14985 29.8853 8.08645 TIMING: 4501200 CPU: 14058.9, 0.00308444/step Wall: 14058.9, 0.00308443/step, 0.427366 hours remaining, 236.386719 MB of memory in use. ENERGY: 4501200 3931.8894 20535.4357 14405.7648 261.3199 -203232.1903 2588.8481 0.0000 0.0000 52265.4823 -109243.4501 300.3704 -161508.9323 -108870.2112 299.5367 50.0103 78.5164 763841.1111 8.7896 8.6066 PRESSURE: 4501400 -202.994 55.1835 49.8765 55.1836 71.7531 33.8165 49.8759 33.8166 -78.6629 GPRESSURE: 4501400 -54.5298 33.3095 -8.46256 -70.5378 24.7046 53.8322 -11.998 -8.59914 -101.123 PRESSAVG: 4501400 33.4897 -3.31084 16.7509 -3.31086 23.1013 6.74691 16.7509 6.74686 21.2706 GPRESSAVG: 4501400 32.4706 -3.55569 16.5795 -2.96853 22.7602 6.83347 16.2796 4.56578 22.1913 TIMING: 4501400 CPU: 14059.5, 0.00309191/step Wall: 14059.5, 0.00309191/step, 0.428229 hours remaining, 236.386719 MB of memory in use. ENERGY: 4501400 3955.3170 20615.6543 14400.3365 260.3059 -203385.8312 2701.2745 0.0000 0.0000 52115.4214 -109337.5217 299.5080 -161452.9431 -108972.8302 299.7159 -69.9678 -43.6495 762056.1704 25.9539 25.8074 PRESSURE: 4501600 -71.1353 133.399 -11.6856 133.399 -200.867 -280.605 -11.6848 -280.603 724.023 GPRESSURE: 4501600 -68.8652 10.7257 -4.56097 76.6697 -165.181 -271.938 20.6754 -295.595 748.47 PRESSAVG: 4501600 2.20028 -55.459 1.00518 -55.459 2.13646 -49.4519 1.00522 -49.4519 15.7611 GPRESSAVG: 4501600 1.41501 -58.6201 0.580087 -55.1973 4.09425 -47.5051 0.770791 -50.2385 13.6233 TIMING: 4501600 CPU: 14060.2, 0.003102/step Wall: 14060.2, 0.003102/step, 0.429455 hours remaining, 236.386719 MB of memory in use. ENERGY: 4501600 3955.9552 20641.8686 14447.9557 238.3971 -203210.5748 2713.5006 0.0000 0.0000 51768.4882 -109444.4094 297.5142 -161212.8976 -109087.5480 299.3454 150.6734 171.4745 762765.7706 6.6993 6.3775 PRESSURE: 4501800 163.478 43.7901 -265.386 43.7897 125.459 58.1856 -265.386 58.1859 180.588 GPRESSURE: 4501800 148.252 39.482 -340.715 68.5102 218.333 74.4756 -213.292 105 190.54 PRESSAVG: 4501800 21.4758 -26.3864 -55.2769 -26.3864 -15.7002 51.3728 -55.2769 51.3728 1.28573 GPRESSAVG: 4501800 21.8427 -21.9592 -55.7869 -27.1654 -16.6062 50.2676 -54.8069 51.7508 1.87787 TIMING: 4501800 CPU: 14060.8, 0.00309229/step Wall: 14060.8, 0.00309229/step, 0.427939 hours remaining, 236.484375 MB of memory in use. ENERGY: 4501800 3994.4799 20418.9064 14472.4234 246.8822 -203459.9009 2654.4841 0.0000 0.0000 52092.2231 -109580.5018 299.3747 -161672.7249 -109220.6898 298.7992 156.5086 185.7083 762498.1257 2.3538 2.3715 PRESSURE: 4502000 -484.122 158.22 -63.5586 158.22 -256.166 138.491 -63.5591 138.491 -277.102 GPRESSURE: 4502000 -426.179 221.449 -81.2515 31.7556 -192.443 138.033 -135.219 173.131 -318.69 PRESSAVG: 4502000 -12.322 23.9559 -40.6824 23.9559 -13.0575 12.2988 -40.6824 12.2987 -13.6246 GPRESSAVG: 4502000 -11.6536 21.7536 -40.243 24.1817 -14.3072 12.5683 -41.7872 11.3121 -13.3506 TIMING: 4502000 CPU: 14061.4, 0.00310233/step Wall: 14061.4, 0.00310233/step, 0.429156 hours remaining, 236.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4502000 3953.5456 20479.1811 14457.3294 247.6134 -203395.9899 2566.3067 0.0000 0.0000 52124.0563 -109567.9573 299.5577 -161692.0137 -109218.1556 298.7433 -339.1298 -312.4373 761860.8406 -13.0014 -13.1038 PRESSURE: 4502200 -97.558 -262.717 -1.25443 -262.718 -110.738 -42.224 -1.25383 -42.2244 395.526 GPRESSURE: 4502200 -93.8932 -276.559 -6.47325 -193.898 -152.368 -38.8912 52.1789 -4.48112 520.733 PRESSAVG: 4502200 3.61687 -23.693 -47.2571 -23.693 -30.6123 24.842 -47.2571 24.842 -15.3814 GPRESSAVG: 4502200 4.09198 -22.8137 -48.5099 -20.1553 -30.6602 24.3367 -47.0159 25.3013 -15.1835 TIMING: 4502200 CPU: 14062, 0.00309766/step Wall: 14062, 0.00309766/step, 0.428337 hours remaining, 236.507812 MB of memory in use. ENERGY: 4502200 3950.8572 20616.5407 14451.1525 227.2883 -203394.4974 2610.7965 0.0000 0.0000 51979.4945 -109558.3678 298.7269 -161537.8623 -109200.4889 298.9497 62.4100 91.4908 760850.2277 -14.1256 -13.9172 PRESSURE: 4502400 28.9364 24.1699 -20.0993 24.1694 61.8787 143.249 -20.0993 143.247 -356.44 GPRESSURE: 4502400 -17.7514 101.5 -107.03 -41.629 75.4595 212.307 -78.6219 40.2877 -242.59 PRESSAVG: 4502400 4.58529 -59.7696 47.3666 -59.7697 -19.2422 -23.4511 47.3667 -23.4511 -23.3938 GPRESSAVG: 4502400 2.91862 -60.663 48.3294 -61.8138 -19.1636 -23.2881 47.3597 -22.5065 -22.1422 TIMING: 4502400 CPU: 14062.6, 0.00309416/step Wall: 14062.6, 0.00309416/step, 0.427682 hours remaining, 236.507812 MB of memory in use. ENERGY: 4502400 3938.6320 20456.9433 14459.8894 235.2300 -203371.2467 2638.0019 0.0000 0.0000 52154.4160 -109488.1341 299.7321 -161642.5501 -109128.6461 298.9176 -88.5417 -61.6273 762826.6331 -12.6836 -12.7957 PRESSURE: 4502600 -140.591 -201.552 -234.674 -201.552 -50.7848 -78.1642 -234.673 -78.1642 -324.593 GPRESSURE: 4502600 -86.0104 -235.402 -285.588 -166.424 -73.0072 -62.1778 -199.579 -15.3829 -281.846 PRESSAVG: 4502600 5.50693 -28.9272 16.0364 -28.9272 8.4797 48.2325 16.0364 48.2325 6.56082 GPRESSAVG: 4502600 6.36016 -29.1031 16.049 -28.9367 7.90395 48.9928 15.6044 49.4106 6.21758 TIMING: 4502600 CPU: 14063.2, 0.00308331/step Wall: 14063.2, 0.00308331/step, 0.426011 hours remaining, 236.507812 MB of memory in use. ENERGY: 4502600 4069.4688 20694.4773 14455.2919 245.5980 -203346.8638 2704.0965 0.0000 0.0000 51876.5230 -109301.4083 298.1351 -161177.9313 -108948.1378 299.2007 -171.9896 -146.9546 762031.4295 6.8491 6.8272 PRESSURE: 4502800 396.662 115.155 -60.2973 115.155 427.319 7.56889 -60.2975 7.56934 83.7439 GPRESSURE: 4502800 360.79 2.6019 -14.9697 165.229 468.949 -24.4585 -101.01 125.927 150.236 PRESSAVG: 4502800 -8.03201 -56.6545 31.3578 -56.6544 20.6866 -1.92266 31.3578 -1.9226 -13.159 GPRESSAVG: 4502800 -6.3911 -57.324 31.6323 -56.6225 20.1406 -0.725047 31.1451 -2.12887 -14.4755 TIMING: 4502800 CPU: 14063.9, 0.00310388/step Wall: 14063.9, 0.00310388/step, 0.428681 hours remaining, 236.507812 MB of memory in use. ENERGY: 4502800 3934.0268 20620.8188 14363.7747 238.3793 -203380.8597 2761.7585 0.0000 0.0000 52222.9877 -109239.1138 300.1262 -161462.1015 -108865.2363 299.4854 302.5749 326.6585 763169.3208 -0.1681 -0.2420 PRESSURE: 4503000 53.0365 -62.3632 -306.096 -62.3629 11.2406 92.8217 -306.096 92.8228 -280.315 GPRESSURE: 4503000 32.882 30.0875 -273.249 -152.825 48.8094 63.1889 -179.454 54.269 -216.012 PRESSAVG: 4503000 -40.1311 5.6586 13.4407 5.65865 33.2293 82.221 13.4407 82.2211 -4.85268 GPRESSAVG: 4503000 -41.2263 7.21878 12.9517 4.50907 34.1931 79.542 14.4001 81.0176 -4.4556 TIMING: 4503000 CPU: 14064.5, 0.00310477/step Wall: 14064.5, 0.00310477/step, 0.428631 hours remaining, 236.507812 MB of memory in use. ENERGY: 4503000 3975.0102 20632.1700 14431.8385 241.7719 -203439.6608 2813.2358 0.0000 0.0000 52021.3532 -109324.2812 298.9674 -161345.6344 -108953.8480 299.0106 -72.0125 -44.7736 762653.3275 -3.9182 -3.8296 PRESSURE: 4503200 -10.5382 212.592 -10.3987 212.592 103.241 -49.8512 -10.3987 -49.8505 -43.667 GPRESSURE: 4503200 -20.7352 299.19 -2.91965 262.397 125.242 -63.0797 -21.4362 -36.7359 49.2668 PRESSAVG: 4503200 9.15555 -3.82769 -26.62 -3.82763 41.7804 -2.94434 -26.62 -2.94434 -20.7171 GPRESSAVG: 4503200 8.91119 -4.58767 -25.7994 -2.58922 41.7253 -1.57736 -26.8066 -2.32132 -20.6029 TIMING: 4503200 CPU: 14065.1, 0.00311462/step Wall: 14065.1, 0.00311462/step, 0.429818 hours remaining, 236.507812 MB of memory in use. ENERGY: 4503200 3964.3172 20498.2193 14438.6925 258.6953 -203413.2319 2635.9186 0.0000 0.0000 52051.1715 -109566.2175 299.1388 -161617.3890 -109190.2234 299.2033 16.3453 51.2579 760728.2635 10.0729 10.0112 PRESSURE: 4503400 -102.439 139.503 43.6346 139.504 -109.934 155.005 43.6342 155.004 8.0671 GPRESSURE: 4503400 -81.475 155.662 -19.1691 95.7116 43.4023 142.99 21.3622 136.616 -72.9909 PRESSAVG: 4503400 13.5661 17.05 -22.6882 17.0499 -35.4341 7.23039 -22.6882 7.23038 24.0841 GPRESSAVG: 4503400 13.3503 18.8079 -22.5804 14.9203 -34.5813 7.38818 -23.1039 8.19425 22.9685 TIMING: 4503400 CPU: 14065.7, 0.00311624/step Wall: 14065.7, 0.00311624/step, 0.429868 hours remaining, 236.507812 MB of memory in use. ENERGY: 4503400 3955.4144 20475.7230 14497.2678 244.6641 -203471.3509 2762.2538 0.0000 0.0000 52017.0713 -109518.9564 298.9428 -161536.0277 -109154.4253 298.9509 -68.1020 -37.0212 762282.9506 0.7387 0.5792 PRESSURE: 4503600 60.059 23.5775 52.1703 23.5777 46.2757 77.7601 52.1697 77.7596 44.8558 GPRESSURE: 4503600 186.691 17.4237 10.6405 42.6879 10.1027 36.062 197.137 111.058 54.7751 PRESSAVG: 4503600 1.63902 -24.9444 9.31649 -24.9445 3.59587 64.1467 9.31655 64.1467 -8.56351 GPRESSAVG: 4503600 2.16904 -26.5966 7.70117 -22.4307 3.1454 63.7368 11.3981 64.1942 -8.81106 TIMING: 4503600 CPU: 14066.4, 0.00311136/step Wall: 14066.4, 0.00311136/step, 0.429021 hours remaining, 236.507812 MB of memory in use. ENERGY: 4503600 3970.3454 20560.9546 14470.7076 232.0473 -203386.5015 2608.4205 0.0000 0.0000 51887.0845 -109656.9417 298.1958 -161544.0261 -109304.9590 298.4550 50.3968 83.8564 762902.3583 -1.1095 -1.1655 PRESSURE: 4503800 -22.5422 189.501 94.1129 189.502 -206.059 179.343 94.1131 179.343 -168.649 GPRESSURE: 4503800 56.648 44.2055 61.1988 0.434378 -269.08 182.307 138.371 -86.4087 -111.08 PRESSAVG: 4503800 20.3921 19.1738 54.3302 19.1737 -67.3741 30.002 54.3303 30.002 11.1769 GPRESSAVG: 4503800 20.0631 21.1901 56.8122 16.1997 -68.3172 29.1379 51.4166 27.6273 12.1876 TIMING: 4503800 CPU: 14067, 0.00310234/step Wall: 14067, 0.00310234/step, 0.427605 hours remaining, 236.507812 MB of memory in use. ENERGY: 4503800 3902.1879 20657.0107 14462.9690 243.4046 -203662.5072 2669.1649 0.0000 0.0000 51913.3661 -109814.4040 298.3468 -161727.7701 -109452.2223 298.7389 -132.4166 -107.8374 761817.7979 -11.9350 -12.0222 PRESSURE: 4504000 -254.499 -85.4359 -3.52807 -85.435 19.8275 -61.2016 -3.52794 -61.2002 -210.624 GPRESSURE: 4504000 -233.791 -30.2591 -38.2468 33.0302 62.0492 -49.6768 127.649 18.1398 -204.43 PRESSAVG: 4504000 7.23417 -22.354 -5.42143 -22.354 25.2674 25.5363 -5.42145 25.5363 -5.48718 GPRESSAVG: 4504000 6.57161 -23.0636 -6.49869 -21.0373 25.3789 26.0961 -2.40569 27.4137 -4.76112 TIMING: 4504000 CPU: 14067.6, 0.00310475/step Wall: 14067.6, 0.00310475/step, 0.427766 hours remaining, 236.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4504000 4010.6869 20460.2898 14431.5927 228.6225 -203833.3497 2894.6753 0.0000 0.0000 52010.1608 -109797.3217 298.9031 -161807.4825 -109430.4158 298.5316 -148.4316 -125.3904 759983.9148 9.0048 9.0631 PRESSURE: 4504200 -11.6905 74.0982 -173.992 74.098 -112.987 -50.5331 -173.992 -50.5338 316.751 GPRESSURE: 4504200 93.0757 44.8052 -203.387 -53.9376 -90.7435 -59.4552 -40.212 10.2474 260.711 PRESSAVG: 4504200 -56.978 -18.0162 -12.9351 -18.0163 49.7213 32.7611 -12.9351 32.761 -7.65476 GPRESSAVG: 4504200 -56.0641 -19.9715 -12.1831 -16.2476 50.046 33.9815 -14.4774 32.4331 -8.69243 TIMING: 4504200 CPU: 14068.2, 0.00308307/step Wall: 14068.2, 0.00308307/step, 0.424607 hours remaining, 236.507812 MB of memory in use. ENERGY: 4504200 3918.6718 20253.1217 14421.7208 226.9803 -203168.6064 2654.3466 0.0000 0.0000 51955.2387 -109738.5265 298.5875 -161693.7652 -109358.0976 298.2792 64.0244 87.6811 761314.1973 -4.9705 -4.9035 LDB: ============= START OF LOAD BALANCING ============== 14080.7 LDB: ============== END OF LOAD BALANCING =============== 14080.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14080.7 LDB: ============= START OF LOAD BALANCING ============== 14081 LDB: Largest compute 7026 load 0.031447 is 16.1% of average load 0.195222 LDB: Average compute 0.004388 is 2.2% of average load 0.195222 LDB: TIME 14081 LOAD: AVG 0.195222 MAX 0.212985 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.262 MB LDB: TIME 14081 LOAD: AVG 0.195222 MAX 0.212985 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.355 MB LDB: TIME 14081 LOAD: AVG 0.195222 MAX 0.212985 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.355 MB LDB: ============== END OF LOAD BALANCING =============== 14081 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14081 PRESSURE: 4504400 -246.921 25.0492 -43.517 25.0491 -10.997 154.677 -43.5167 154.677 -260.658 GPRESSURE: 4504400 -231.317 5.12788 5.22249 100.666 27.4537 162.348 -67.0104 53.0925 -248.584 PRESSAVG: 4504400 -34.1082 -68.312 8.42617 -68.312 20.758 14.0144 8.42616 14.0144 -17.8588 GPRESSAVG: 4504400 -35.3591 -64.9501 7.05203 -71.3465 20.494 13.3625 8.80784 13.0887 -16.3949 TIMING: 4504400 CPU: 14068.8, 0.0031756/step Wall: 14068.8, 0.0031756/step, 0.437174 hours remaining, 233.238281 MB of memory in use. ENERGY: 4504400 3959.4709 20488.6892 14405.4000 237.8218 -203620.8675 2530.5812 0.0000 0.0000 52049.0151 -109949.8893 299.1264 -161998.9044 -109578.8914 297.9243 -172.8585 -150.8156 761119.1067 -10.4030 -10.4200 PRESSURE: 4504600 56.6028 12.006 66.3378 12.0067 -277.629 -154.716 66.3384 -154.716 199.992 GPRESSURE: 4504600 78.1692 -44.5347 107.481 75.4406 -178.656 -232.343 156.689 -87.4972 175.233 PRESSAVG: 4504600 -35.4937 -101.67 31.9069 -101.67 4.98095 19.2679 31.9069 19.268 -6.43398 GPRESSAVG: 4504600 -33.8795 -103.884 31.9666 -98.7941 5.21674 18.6764 31.616 19.4025 -8.00059 TIMING: 4504600 CPU: 14069.5, 0.00311127/step Wall: 14069.5, 0.00311127/step, 0.428145 hours remaining, 233.238281 MB of memory in use. ENERGY: 4504600 3936.8426 20515.8519 14397.7732 239.1091 -203503.5729 2590.6516 0.0000 0.0000 52059.0661 -109764.2784 299.1842 -161823.3445 -109408.2071 298.1917 -7.0116 24.9154 761742.6222 -12.3156 -12.2211 PRESSURE: 4504800 212.125 -60.4608 248.305 -60.462 49.3279 279.179 248.304 279.18 -213.028 GPRESSURE: 4504800 263.723 -108.127 246.874 -18.1993 40.0539 184.514 179.492 197.193 -152.564 PRESSAVG: 4504800 -25.4074 7.58963 -7.27141 7.58959 -27.3097 -8.21915 -7.27144 -8.21914 -7.8388 GPRESSAVG: 4504800 -24.332 5.17796 -8.07391 7.93791 -28.7687 -7.85729 -7.45644 -7.08614 -7.19867 TIMING: 4504800 CPU: 14070.1, 0.00309784/step Wall: 14070.1, 0.00309784/step, 0.426125 hours remaining, 233.238281 MB of memory in use. ENERGY: 4504800 3984.5154 20556.4892 14445.5083 264.1411 -203523.5574 2800.8856 0.0000 0.0000 51927.4748 -109544.5429 298.4279 -161472.0177 -109184.6044 298.8220 16.1417 50.4043 762452.7118 -20.1853 -20.0998 PRESSURE: 4505000 106.27 73.1732 -81.2946 73.1727 -12.2419 -130.66 -81.2953 -130.66 -68.1025 GPRESSURE: 4505000 134.297 190.524 -28.4618 58.296 -0.838171 -228.518 -69.9166 -85.5648 -22.3435 PRESSAVG: 4505000 24.5555 -25.2112 -31.4848 -25.2111 -32.4008 64.1382 -31.4847 64.1381 -3.84125 GPRESSAVG: 4505000 22.4175 -20.625 -31.5337 -27.7034 -30.556 62.0241 -30.1671 63.3814 -4.22441 TIMING: 4505000 CPU: 14070.7, 0.00309836/step Wall: 14070.7, 0.00309836/step, 0.426024 hours remaining, 233.238281 MB of memory in use. ENERGY: 4505000 4027.3074 20471.5872 14439.8505 259.7237 -203453.0395 2535.7956 0.0000 0.0000 52089.5372 -109629.2379 299.3593 -161718.7751 -109263.8952 299.0626 8.6417 37.0386 761607.2358 -3.8955 -4.1210 PRESSURE: 4505200 10.2466 37.6859 176.666 37.6862 -417.778 23.4366 176.666 23.4356 -171.531 GPRESSURE: 4505200 12.1044 3.7396 211.295 65.8966 -364.947 32.6844 96.141 51.9117 -127.948 PRESSAVG: 4505200 -11.8947 -48.5846 -5.41712 -48.5846 -12.5431 12.9286 -5.41721 12.9286 0.194813 GPRESSAVG: 4505200 -12.7479 -49.0969 -3.38819 -48.3787 -11.9907 14.7877 -7.58377 13.8256 0.276042 TIMING: 4505200 CPU: 14071.3, 0.00309262/step Wall: 14071.3, 0.00309262/step, 0.425064 hours remaining, 233.238281 MB of memory in use. ENERGY: 4505200 4040.4473 20476.8176 14512.9520 258.1151 -203096.8356 2397.1873 0.0000 0.0000 51997.9330 -109413.3833 298.8328 -161411.3163 -109058.5059 298.7795 -193.0208 -160.2635 762125.6879 -8.0810 -8.1542 PRESSURE: 4505400 -214.889 68.1018 -35.6991 68.1015 -223.152 0.32611 -35.6982 0.325727 -176.552 GPRESSURE: 4505400 -60.162 46.7017 70.746 51.1921 -221.316 -1.79014 -146.032 31.9855 -270.77 PRESSAVG: 4505400 2.03684 2.49663 39.2033 2.4966 -30.9453 37.4843 39.2033 37.4844 8.96279 GPRESSAVG: 4505400 2.01202 0.644972 38.3203 1.72418 -30.3112 38.5479 40.1853 36.9466 8.73942 TIMING: 4505400 CPU: 14071.9, 0.00310136/step Wall: 14071.9, 0.00310136/step, 0.426092 hours remaining, 233.238281 MB of memory in use. ENERGY: 4505400 4030.9341 20662.3753 14359.9135 239.2884 -203489.8073 2573.2423 0.0000 0.0000 52127.0977 -109496.9561 299.5751 -161624.0538 -109140.0619 299.2510 -204.8644 -184.0827 763296.8542 -6.6486 -6.5199 PRESSURE: 4505600 45.5035 -184.363 180.581 -184.363 -72.6967 -37.7187 180.581 -37.7192 -334.422 GPRESSURE: 4505600 30.2014 -182.172 202.349 -109.56 2.42718 -14.8932 100.595 -86.7759 -329.374 PRESSAVG: 4505600 45.1447 -33.151 20.7202 -33.1509 -10.6705 -21.7912 20.7203 -21.7912 15.0586 GPRESSAVG: 4505600 47.1654 -33.9013 20.6983 -31.1011 -12.2796 -22.7467 20.9423 -20.7118 14.7153 TIMING: 4505600 CPU: 14072.6, 0.00308994/step Wall: 14072.6, 0.00308994/step, 0.424352 hours remaining, 233.238281 MB of memory in use. ENERGY: 4505600 3987.5912 20548.8429 14431.3833 249.3737 -203634.4819 2733.0455 0.0000 0.0000 52196.7876 -109487.4576 299.9757 -161684.2453 -109111.6949 299.3538 -120.5383 -98.9152 760256.0133 16.5110 16.5337 PRESSURE: 4505800 -154.992 -0.295097 203.389 -0.295452 229.94 -68.8528 203.39 -68.8524 -156.429 GPRESSURE: 4505800 -105.743 -85.1363 203.352 116.352 203.525 16.504 55.7223 -47.4115 -102.83 PRESSAVG: 4505800 43.0837 -29.967 -44.0225 -29.9671 -3.83269 20.5114 -44.0225 20.5114 0.802722 GPRESSAVG: 4505800 41.5645 -29.0572 -44.7614 -29.7047 -3.2339 21.9973 -45.2875 18.8072 1.5553 TIMING: 4505800 CPU: 14073.2, 0.00308114/step Wall: 14073.2, 0.00308114/step, 0.422971 hours remaining, 233.238281 MB of memory in use. ENERGY: 4505800 3999.1465 20566.0500 14413.2408 253.3225 -203413.4071 2454.0269 0.0000 0.0000 52033.7245 -109693.8959 299.0385 -161727.6204 -109329.6220 298.9241 -27.1604 -1.6825 760926.3426 13.3512 13.2953 PRESSURE: 4506000 -192.337 364.215 -56.1346 364.215 -483.705 45.516 -56.1341 45.5157 -567.124 GPRESSURE: 4506000 -190.464 394.21 -50.3592 157.388 -415.91 63.0326 -50.1567 36.0141 -530.617 PRESSAVG: 4506000 -36.1093 1.84758 -3.18456 1.84761 54.3918 35.3466 -3.18466 35.3466 -13.4555 GPRESSAVG: 4506000 -36.0638 0.939308 -1.96591 -0.716553 53.6448 33.2837 -3.6956 36.97 -12.2477 TIMING: 4506000 CPU: 14073.8, 0.0031008/step Wall: 14073.8, 0.0031008/step, 0.425499 hours remaining, 233.238281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4506000 4071.8079 20540.3291 14367.7541 257.8215 -203675.0603 2625.2563 0.0000 0.0000 52146.5712 -109665.5202 299.6871 -161812.0914 -109308.8668 298.8691 -414.3889 -378.9969 762683.3656 1.6090 1.7778 PRESSURE: 4506200 -192.871 -8.93617 -59.879 -8.93619 153.835 7.98963 -59.8796 7.98874 382.998 GPRESSURE: 4506200 -117.087 -31.8146 37.5359 -83.0964 161.031 -13.4617 -173.58 -4.07132 395.65 PRESSAVG: 4506200 -8.10979 -31.4419 26.4354 -31.4419 -4.61035 73.8205 26.4354 73.8205 4.91531 GPRESSAVG: 4506200 -6.87752 -28.5675 27.224 -31.9487 -3.73031 73.5975 27.8462 71.0471 2.74334 TIMING: 4506200 CPU: 14074.4, 0.0030971/step Wall: 14074.4, 0.0030971/step, 0.42482 hours remaining, 233.238281 MB of memory in use. ENERGY: 4506200 3984.5043 20505.5006 14475.5645 253.4743 -203374.7286 2733.7743 0.0000 0.0000 51679.6352 -109742.2753 297.0036 -161421.9105 -109381.2914 298.1468 114.6542 146.5314 761542.7591 -2.6016 -2.6215 PRESSURE: 4506400 196.672 -9.25159 -181.461 -9.25129 -2.48904 214.224 -181.461 214.225 -190.216 GPRESSURE: 4506400 235.033 -41.9322 -160.177 -5.74987 -33.5174 223.066 -213.02 233.285 -111.293 PRESSAVG: 4506400 -14.0782 -39.9347 -1.12806 -39.9348 8.67356 -39.2228 -1.12797 -39.2227 2.31652 GPRESSAVG: 4506400 -14.8136 -40.306 -0.859405 -38.3413 8.22516 -37.0324 0.158261 -39.0708 4.28295 TIMING: 4506400 CPU: 14075, 0.00309454/step Wall: 14075, 0.00309454/step, 0.424295 hours remaining, 233.238281 MB of memory in use. ENERGY: 4506400 3995.0890 20551.3449 14453.1099 249.3877 -203937.0643 2928.7931 0.0000 0.0000 52010.7842 -109748.5555 298.9067 -161759.3397 -109389.7523 298.7539 1.3226 30.0742 760953.5431 -1.0294 -0.7685 PRESSURE: 4506600 -194.287 169.523 66.1359 169.522 -293.821 32.6257 66.1349 32.6254 -261.106 GPRESSURE: 4506600 -149.777 179.228 61.6112 143.432 -206.644 79.9274 9.63939 -36.1532 -328.223 PRESSAVG: 4506600 20.6278 32.8522 19.1691 32.8521 4.82878 22.9443 19.169 22.9444 -8.09749 GPRESSAVG: 4506600 20.6314 32.6635 18.6916 34.6128 4.76587 21.6577 17.4304 22.352 -8.57169 TIMING: 4506600 CPU: 14075.7, 0.0030865/step Wall: 14075.7, 0.0030865/step, 0.423022 hours remaining, 233.238281 MB of memory in use. ENERGY: 4506600 3954.8084 20612.0405 14499.0584 243.2625 -203546.7915 2520.4453 0.0000 0.0000 52085.8837 -109631.2925 299.3383 -161717.1763 -109269.8049 299.1638 -249.7380 -228.2145 762547.2856 5.7864 5.6085 PRESSURE: 4506800 16.4184 -328.053 317.119 -328.053 -297.653 117.799 317.12 117.798 283.741 GPRESSURE: 4506800 126.009 -158.527 183.916 -196.875 -254.865 61.2854 215.433 113.431 226.841 PRESSAVG: 4506800 -6.76825 -42.6052 21.6373 -42.6053 5.3824 -8.8661 21.6373 -8.86606 9.64264 GPRESSAVG: 4506800 -5.99539 -42.9651 21.1021 -44.0933 5.98022 -10.0687 20.087 -5.12056 8.07206 TIMING: 4506800 CPU: 14076.3, 0.00310842/step Wall: 14076.3, 0.00310842/step, 0.425854 hours remaining, 233.226562 MB of memory in use. ENERGY: 4506800 4024.9393 20542.8219 14509.9107 235.6158 -203617.6170 2667.9779 0.0000 0.0000 51789.6459 -109846.7055 297.6358 -161636.3514 -109483.7069 298.7861 0.8354 32.6615 761365.3294 2.7523 2.6856 PRESSURE: 4507000 -136.662 128.995 111.515 128.994 -158.689 80.9772 111.515 80.9777 184.248 GPRESSURE: 4507000 -184.864 111.989 89.6405 176.524 -76.5944 3.40432 202.003 75.2008 213.724 PRESSAVG: 4507000 -28.5439 -39.1364 33.4802 -39.1365 54.4936 -1.26745 33.4802 -1.26749 14.7412 GPRESSAVG: 4507000 -28.5366 -37.6019 32.9595 -37.8894 53.6916 -0.27323 37.1805 -2.58131 15.6943 TIMING: 4507000 CPU: 14076.9, 0.00312396/step Wall: 14076.9, 0.00312396/step, 0.427809 hours remaining, 233.226562 MB of memory in use. ENERGY: 4507000 3997.8568 20826.4023 14464.0487 263.0752 -203849.9089 2538.2913 0.0000 0.0000 52148.8416 -109611.3929 299.7001 -161760.2345 -109260.8677 298.6458 -37.0345 -15.9115 760259.5795 13.5636 13.6164 PRESSURE: 4507200 215.851 -170.177 -41.225 -170.178 52.193 242.982 -41.2247 242.981 237.492 GPRESSURE: 4507200 242.443 -136.428 -62.7489 -183.209 65.4747 221.633 -84.9337 233.819 278.252 PRESSAVG: 4507200 35.9188 -15.9254 30.4872 -15.9255 -48.4013 12.1666 30.4873 12.1665 13.596 GPRESSAVG: 4507200 35.2506 -19.0546 30.9471 -15.8236 -48.5017 12.2594 30.0857 11.8683 14.1197 TIMING: 4507200 CPU: 14077.5, 0.00310379/step Wall: 14077.5, 0.00310379/step, 0.424874 hours remaining, 233.226562 MB of memory in use. ENERGY: 4507200 3962.8877 20503.4356 14536.9514 233.7002 -203652.7798 2759.5730 0.0000 0.0000 52093.3955 -109562.8364 299.3815 -161656.2319 -109196.3594 298.9684 168.5120 195.3899 761482.1892 0.3711 0.2895 PRESSURE: 4507400 -255.19 39.9704 -140.231 39.9696 172.59 -16.1644 -140.231 -16.1637 -276.93 GPRESSURE: 4507400 -175.885 -47.7947 -53.8256 109.596 141.721 100.56 -77.7881 -11.3506 -255.495 PRESSAVG: 4507400 52.1089 -10.9182 3.4146 -10.9182 -37.7919 8.05017 3.41462 8.05017 5.23007 GPRESSAVG: 4507400 52.0572 -7.64922 4.14096 -12.5423 -38.2735 7.31236 1.02885 7.65579 5.53675 TIMING: 4507400 CPU: 14078.2, 0.00311508/step Wall: 14078.2, 0.00311508/step, 0.426247 hours remaining, 233.238281 MB of memory in use. ENERGY: 4507400 4013.9883 20339.3106 14452.7905 231.7753 -203716.8449 2768.8032 0.0000 0.0000 51943.1042 -109967.0729 298.5177 -161910.1771 -109591.2530 298.2884 -119.8431 -96.5528 762689.2132 6.5157 6.4401 PRESSURE: 4507600 -119.534 -48.2868 58.0312 -48.2867 143.72 142.297 58.0312 142.297 -69.1249 GPRESSURE: 4507600 -64.1525 -141.978 -84.6462 -98.478 99.5925 186.008 83.0988 82.998 14.9692 PRESSAVG: 4507600 13.542 -18.3771 53.3535 -18.3771 -52.1691 21.4236 53.3535 21.4236 -31.3245 GPRESSAVG: 4507600 11.5797 -21.068 51.8857 -18.0649 -51.4568 21.3661 54.4747 22.9287 -30.5586 TIMING: 4507600 CPU: 14078.8, 0.00310568/step Wall: 14078.8, 0.00310568/step, 0.424789 hours remaining, 233.238281 MB of memory in use. ENERGY: 4507600 3967.8406 20718.6629 14401.2862 255.9421 -203357.8489 2460.3286 0.0000 0.0000 51686.6817 -109867.1067 297.0441 -161553.7883 -109510.7037 298.2653 -14.9797 16.8030 763318.4335 -23.3172 -23.4786 PRESSURE: 4507800 171.225 -167.072 81.7548 -167.072 133.609 -180.275 81.7543 -180.274 -24.0547 GPRESSURE: 4507800 175.828 -61.5082 46.5586 -64.5607 170.64 -60.9557 180.474 -252.748 11.6047 PRESSAVG: 4507800 -25.3266 -34.9898 -3.11518 -34.9898 -6.46267 -1.83759 -3.11521 -1.83757 -15.9175 GPRESSAVG: 4507800 -24.1728 -33.755 -1.77747 -33.6758 -7.3267 -1.24722 -2.82703 -3.9938 -16.5051 TIMING: 4507800 CPU: 14079.4, 0.00313259/step Wall: 14079.4, 0.00313259/step, 0.428295 hours remaining, 233.238281 MB of memory in use. ENERGY: 4507800 3931.8208 20494.4038 14443.7923 244.2805 -203893.0617 2966.1735 0.0000 0.0000 51902.8585 -109909.7322 298.2864 -161812.5907 -109557.4637 297.9755 93.5931 119.3574 761688.2897 -15.9023 -16.0015 PRESSURE: 4508000 21.9591 -71.5991 -80.5999 -71.5991 -52.1133 7.41193 -80.5995 7.41155 -64.8378 GPRESSURE: 4508000 3.92644 -60.4709 -76.6939 -109.67 59.4997 35.1817 -119.648 43.5551 -78.7655 PRESSAVG: 4508000 43.4528 -36.3823 28.3772 -36.3823 -26.5707 -66.2226 28.3773 -66.2226 24.1549 GPRESSAVG: 4508000 44.3945 -37.6237 27.6853 -37.2657 -26.7456 -64.7154 30.5675 -65.6565 22.9249 TIMING: 4508000 CPU: 14080, 0.00311493/step Wall: 14080, 0.00311493/step, 0.425707 hours remaining, 233.238281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4508000 3909.0254 20613.9319 14488.2758 242.7045 -204028.6301 2878.3890 0.0000 0.0000 51817.9098 -110078.3937 297.7982 -161896.3035 -109706.1098 298.1965 -31.6640 -5.1131 760430.0041 13.6790 13.5246 PRESSURE: 4508200 -120.267 -93.6925 -168.56 -93.6929 -188.945 13.1367 -168.56 13.1362 143.876 GPRESSURE: 4508200 -101.114 -23.7896 -160.475 -54.4999 -163.626 -61.8967 -171.531 107.298 181.306 PRESSAVG: 4508200 36.5766 -64.1867 8.33483 -64.1868 -7.23282 6.89096 8.33477 6.89099 -21.0164 GPRESSAVG: 4508200 35.8111 -62.7737 8.61351 -64.089 -8.01202 5.28642 7.55616 8.2178 -19.5875 TIMING: 4508200 CPU: 14080.6, 0.00313645/step Wall: 14080.6, 0.00313645/step, 0.428474 hours remaining, 233.238281 MB of memory in use. ENERGY: 4508200 4019.4209 20409.5698 14403.1075 250.1686 -203604.1769 2556.4890 0.0000 0.0000 51973.1327 -109992.2884 298.6903 -161965.4210 -109635.1415 298.6398 -55.1120 -27.8116 762780.5295 2.7758 2.7372 LDB: ============= START OF LOAD BALANCING ============== 14093.1 LDB: ============== END OF LOAD BALANCING =============== 14093.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14093.1 LDB: ============= START OF LOAD BALANCING ============== 14093.4 LDB: Largest compute 7028 load 0.031399 is 16.1% of average load 0.195304 LDB: Average compute 0.004398 is 2.3% of average load 0.195304 LDB: TIME 14093.4 LOAD: AVG 0.195304 MAX 0.214283 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.031 MB LDB: TIME 14093.4 LOAD: AVG 0.195304 MAX 0.214283 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.125 MB LDB: TIME 14093.4 LOAD: AVG 0.195304 MAX 0.214283 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.125 MB LDB: ============== END OF LOAD BALANCING =============== 14093.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14093.4 PRESSURE: 4508400 -39.0292 -83.1177 -73.2145 -83.1177 105.502 57.5891 -73.2145 57.5884 68.2037 GPRESSURE: 4508400 15.3231 -41.7327 -74.6363 -101.325 147.098 17.2729 44.0482 81.5002 61.7 PRESSAVG: 4508400 -7.55089 14.9292 -36.5168 14.9291 23.7823 59.3732 -36.5168 59.3732 13.2247 GPRESSAVG: 4508400 -6.26932 13.6257 -35.545 16.1441 24.3275 59.7058 -36.6197 57.4871 11.7707 TIMING: 4508400 CPU: 14081.3, 0.00317853/step Wall: 14081.3, 0.00317853/step, 0.434046 hours remaining, 236.250000 MB of memory in use. ENERGY: 4508400 3942.5162 20401.7390 14403.9438 233.8183 -203954.2810 3058.1413 0.0000 0.0000 51584.5745 -110329.5479 296.4573 -161914.1224 -109975.6157 297.7509 44.8921 74.7071 761478.0364 9.8187 9.9430 PRESSURE: 4508600 -528.006 106.742 123.234 106.742 -120.448 -49.8425 123.234 -49.8421 -272.342 GPRESSURE: 4508600 -495.557 -2.53846 28.571 75.447 -119.668 -62.7368 75.6522 -65.752 -203.565 PRESSAVG: 4508600 -19.936 -10.6943 13.4629 -10.6943 -4.15464 19.7727 13.4628 19.7728 -6.99943 GPRESSAVG: 4508600 -20.2787 -10.1336 12.0194 -11.6896 -5.03046 20.239 13.0521 20.0571 -6.00561 TIMING: 4508600 CPU: 14081.9, 0.00312827/step Wall: 14081.9, 0.00312828/step, 0.42701 hours remaining, 236.378906 MB of memory in use. ENERGY: 4508600 3997.0786 20645.7088 14387.4957 235.9310 -203587.0394 2511.3050 0.0000 0.0000 51692.1530 -110117.3672 297.0755 -161809.5203 -109762.2683 297.5078 -306.9321 -272.9302 762001.4750 -10.3634 -10.4382 PRESSURE: 4508800 -89.1733 81.516 -220.423 81.5155 101.524 -148.631 -220.423 -148.631 95.0117 GPRESSURE: 4508800 -32.0719 162.151 -105.508 154.544 120.257 -127.36 -212.005 -95.4621 99.0394 PRESSAVG: 4508800 48.668 -32.996 -14.3253 -32.996 -10.9014 -23.0359 -14.3254 -23.0359 17.5415 GPRESSAVG: 4508800 47.3394 -32.7573 -15.3345 -32.6385 -10.2783 -23.0088 -15.2372 -25.6107 18.1035 TIMING: 4508800 CPU: 14082.5, 0.00312567/step Wall: 14082.5, 0.00312567/step, 0.42648 hours remaining, 236.652344 MB of memory in use. ENERGY: 4508800 3901.3974 20446.6256 14444.3798 249.6038 -203981.3093 2917.7539 0.0000 0.0000 52030.0343 -109991.5146 299.0173 -162021.5489 -109626.2766 298.3381 35.7876 62.4081 761023.2610 18.4360 18.3882 PRESSURE: 4509000 -162.624 137.632 -27.5516 137.632 -63.0733 -266.283 -27.5519 -266.283 67.514 GPRESSURE: 4509000 -146.818 -58.2807 -73.2339 86.1418 -9.18396 -201.279 -32.6304 -345.463 94.7509 PRESSAVG: 4509000 -50.0246 -20.9039 -13.7897 -20.9039 40.736 -64.3028 -13.7897 -64.3028 0.940926 GPRESSAVG: 4509000 -49.717 -20.0095 -12.3031 -21.2156 40.9042 -65.6023 -13.5821 -61.2092 0.408441 TIMING: 4509000 CPU: 14083.2, 0.0031094/step Wall: 14083.2, 0.0031094/step, 0.424088 hours remaining, 236.652344 MB of memory in use. ENERGY: 4509000 4039.6189 20494.7633 14502.2683 236.0568 -203749.2246 2837.3469 0.0000 0.0000 51811.6575 -109827.5129 297.7623 -161639.1704 -109466.9206 298.0512 -52.7279 -20.4169 761620.3263 -2.7826 -2.8015 PRESSURE: 4509200 -176.155 67.3998 -28.597 67.3998 -14.437 -79.8388 -28.5983 -79.8391 -143.652 GPRESSURE: 4509200 -136.104 113.694 -118.323 39.5693 30.3309 33.336 63.0023 -119.568 -137.683 PRESSAVG: 4509200 15.9599 -41.8661 11.3585 -41.8661 61.3126 -90.4312 11.3586 -90.4312 -10.0782 GPRESSAVG: 4509200 14.9631 -41.9634 11.5083 -41.5766 62.3361 -91.4268 10.2066 -92.7788 -9.94436 TIMING: 4509200 CPU: 14083.8, 0.00310543/step Wall: 14083.8, 0.00310543/step, 0.423374 hours remaining, 236.652344 MB of memory in use. ENERGY: 4509200 4035.9931 20367.9501 14437.2160 253.9247 -203436.5441 2577.5924 0.0000 0.0000 51974.2790 -109789.5888 298.6969 -161763.8678 -109421.2627 298.9642 -111.4147 -81.1518 763562.3705 22.3981 22.4516 PRESSURE: 4509400 -167.163 32.1584 162.068 32.1582 -465.13 -209.653 162.068 -209.654 71.5058 GPRESSURE: 4509400 -257.049 21.5213 114.962 -74.6168 -348.95 -198.427 205.96 -105.475 114.22 PRESSAVG: 4509400 -49.531 23.7751 19.0499 23.7751 21.1968 21.9812 19.05 21.9813 22.3017 GPRESSAVG: 4509400 -47.3152 22.9348 18.3819 24.5374 19.4877 23.8802 19.2647 22.7724 21.5609 TIMING: 4509400 CPU: 14084.4, 0.00309389/step Wall: 14084.4, 0.00309389/step, 0.421628 hours remaining, 236.652344 MB of memory in use. ENERGY: 4509400 3988.0044 20651.6931 14468.6709 237.2424 -203726.9633 2453.0381 0.0000 0.0000 52120.7543 -109807.5601 299.5387 -161928.3143 -109441.4896 298.1083 -186.9291 -163.9264 763158.0540 -2.0108 -2.0889 PRESSURE: 4509600 3.87896 176.658 2.71796 176.659 -36.6281 -215.091 2.71716 -215.09 86.6411 GPRESSURE: 4509600 -60.8552 96.4926 23.3814 85.2458 115.254 -155.101 152.811 -169.189 67.1287 PRESSAVG: 4509600 12.3788 34.1807 36.6673 34.1807 -22.6414 -23.6825 36.6673 -23.6825 -5.03079 GPRESSAVG: 4509600 12.0648 34.2839 36.9967 33.4515 -22.4945 -26.6902 34.5294 -23.3588 -5.49133 TIMING: 4509600 CPU: 14085, 0.0031187/step Wall: 14085, 0.0031187/step, 0.424837 hours remaining, 236.652344 MB of memory in use. ENERGY: 4509600 3931.6608 20670.1167 14465.2989 246.2980 -203431.9422 2416.8902 0.0000 0.0000 51922.6428 -109779.0347 298.4001 -161701.6775 -109415.1504 298.5711 17.9640 40.5093 762820.5901 -5.0978 -5.3070 PRESSURE: 4509800 190.162 -21.525 128.332 -21.5261 101.996 300.704 128.332 300.705 -49.3299 GPRESSURE: 4509800 184.424 -121.228 154.607 -65.9597 162.657 312.57 138.797 215.518 -30.521 PRESSAVG: 4509800 -28.3402 21.9381 6.8956 21.9381 65.4189 -43.1189 6.89563 -43.1189 -7.10734 GPRESSAVG: 4509800 -29.9047 21.5789 7.78506 21.0292 66.8052 -40.6775 9.7764 -42.3455 -7.03696 TIMING: 4509800 CPU: 14085.6, 0.00313414/step Wall: 14085.6, 0.00313414/step, 0.426765 hours remaining, 236.652344 MB of memory in use. ENERGY: 4509800 4002.9623 20447.4649 14558.6077 257.2563 -204089.7885 2928.2529 0.0000 0.0000 51981.2136 -109914.0307 298.7367 -161895.2444 -109551.8721 298.2160 80.9426 105.5199 760007.7893 9.9905 9.9545 PRESSURE: 4510000 248.243 117.848 245.302 117.849 74.6094 100.102 245.301 100.102 -128.289 GPRESSURE: 4510000 265.943 118.435 286.216 63.3546 153.934 44.364 174.785 99.8831 -159.931 PRESSAVG: 4510000 -41.0948 15.7049 -1.7756 15.705 0.948868 16.8624 -1.77562 16.8624 -3.20143 GPRESSAVG: 4510000 -39.6687 16.542 -1.95112 14.5733 0.655509 16.6981 -2.87469 15.848 -4.00769 TIMING: 4510000 CPU: 14086.3, 0.00309924/step Wall: 14086.3, 0.00309924/step, 0.42184 hours remaining, 236.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4510000 4037.4123 20551.4511 14382.3252 243.5250 -203784.7268 2901.2693 0.0000 0.0000 51871.8220 -109796.9219 298.1081 -161668.7440 -109436.7676 298.3342 64.8545 86.6485 761989.8970 -14.4491 -14.3403 PRESSURE: 4510200 90.2334 -14.0179 -77.5761 -14.0183 228.643 92.7379 -77.5751 92.737 70.4701 GPRESSURE: 4510200 166.704 -23.8263 -97.0201 7.65493 233.666 -48.1321 -12.6352 96.9849 80.4436 PRESSAVG: 4510200 22.8172 -9.53307 -12.774 -9.53302 40.3392 -4.72022 -12.7739 -4.72025 10.0286 GPRESSAVG: 4510200 23.1851 -11.4565 -13.9796 -10.4527 38.7901 -6.20108 -10.3149 -5.19015 11.5226 TIMING: 4510200 CPU: 14086.9, 0.0030979/step Wall: 14086.9, 0.0030979/step, 0.421486 hours remaining, 236.652344 MB of memory in use. ENERGY: 4510200 4017.7950 20414.3630 14468.8218 268.6998 -203630.3913 3090.2441 0.0000 0.0000 51689.1130 -109681.3545 297.0580 -161370.4675 -109333.1204 298.4505 129.7823 160.2714 761748.6039 24.3950 24.4993 PRESSURE: 4510400 -92.1219 64.7054 52.6178 64.7044 -127.85 -179.055 52.6187 -179.055 -70.9077 GPRESSURE: 4510400 -73.7937 -2.13225 126.908 -8.48575 -116.927 -139.027 -2.94758 -122.319 6.18257 PRESSAVG: 4510400 -45.3039 -10.1525 13.8073 -10.1525 12.1379 -16.8031 13.8073 -16.8032 -3.83032 GPRESSAVG: 4510400 -45.5227 -7.4763 15.9088 -7.995 13.7028 -16.8635 11.7865 -14.3995 -4.8735 TIMING: 4510400 CPU: 14087.5, 0.00310557/step Wall: 14087.5, 0.00310557/step, 0.422357 hours remaining, 236.652344 MB of memory in use. ENERGY: 4510400 3991.3554 20418.3860 14479.6409 257.3489 -203574.8181 2874.4676 0.0000 0.0000 52122.8317 -109430.7876 299.5506 -161553.6194 -109069.2096 299.0694 -96.9600 -61.5127 762331.6598 -12.3321 -12.2311 PRESSURE: 4510600 -122.55 -3.5406 -126.366 -3.54158 -44.4088 174.467 -126.366 174.466 111.812 GPRESSURE: 4510600 -67.4205 -26.0826 -146.48 -48.3751 -18.5918 195.117 -124.689 377.418 126.971 PRESSAVG: 4510600 13.1392 -31.1305 -38.6701 -31.1304 43.3103 27.7241 -38.6701 27.7241 -0.837466 GPRESSAVG: 4510600 12.5085 -33.5343 -41.2217 -31.0495 42.8794 28.427 -37.0687 25.6377 0.429702 TIMING: 4510600 CPU: 14088.1, 0.00312361/step Wall: 14088.1, 0.00312361/step, 0.424637 hours remaining, 236.652344 MB of memory in use. ENERGY: 4510600 4025.1270 20564.0307 14399.7653 244.3376 -203062.8249 2593.9985 0.0000 0.0000 51960.8254 -109274.7404 298.6196 -161235.5657 -108912.3036 299.0585 -18.3825 13.6531 763724.6986 18.5373 18.6059 PRESSURE: 4510800 -146.219 142.368 -14.4581 142.368 -184.632 88.7189 -14.4582 88.7196 -25.188 GPRESSURE: 4510800 -224.468 220.066 -21.9014 175.176 -77.3382 118.629 29.9122 -8.79453 30.1563 PRESSAVG: 4510800 -27.778 24.4529 -41.2514 24.4528 -15.8967 -18.6799 -41.2514 -18.68 9.70881 GPRESSAVG: 4510800 -27.1031 27.0746 -40.0423 22.6614 -16.0223 -18.5849 -41.7219 -19.6291 9.12562 TIMING: 4510800 CPU: 14088.8, 0.00310237/step Wall: 14088.8, 0.00310237/step, 0.421577 hours remaining, 236.652344 MB of memory in use. ENERGY: 4510800 4057.3028 20527.8348 14420.0555 236.6382 -202776.4705 2618.2436 0.0000 0.0000 51862.8912 -109053.5044 298.0567 -160916.3956 -108690.7533 299.3024 -118.6797 -90.5499 762914.3756 -11.3220 -11.3333 PRESSURE: 4511000 67.5764 -13.4204 -131.113 -13.4213 -11.3556 -292.301 -131.113 -292.301 -3.43396 GPRESSURE: 4511000 100.836 -70.0692 -66.367 122.466 -41.0914 -373.041 -207.195 -109.398 84.0509 PRESSAVG: 4511000 29.5033 31.3762 12.7258 31.3762 -27.8005 -99.7927 12.7259 -99.7928 11.2575 GPRESSAVG: 4511000 29.0906 31.0468 14.6519 34.6887 -27.7112 -98.6694 12.2668 -98.4927 12.4036 TIMING: 4511000 CPU: 14089.4, 0.0031009/step Wall: 14089.4, 0.0031009/step, 0.421206 hours remaining, 236.652344 MB of memory in use. ENERGY: 4511000 3935.3902 20497.5385 14424.1360 257.9424 -203267.1283 2719.9538 0.0000 0.0000 52316.4700 -109115.6976 300.6635 -161432.1676 -108744.7195 299.9998 17.5956 47.9319 761819.6943 4.3201 4.5943 PRESSURE: 4511200 -46.48 -311.894 -210.834 -311.894 -193.681 93.3938 -210.834 93.3929 -294.82 GPRESSURE: 4511200 4.98673 -246.971 -180.792 -218.969 -92.8164 116.783 -191.454 37.3477 -361.858 PRESSAVG: 4511200 24.9519 54.3411 70.8587 54.3411 43.6568 -20.1965 70.8587 -20.1965 1.93074 GPRESSAVG: 4511200 26.1259 53.9115 69.6802 52.1051 42.6324 -19.4391 71.1583 -21.2958 1.36823 TIMING: 4511200 CPU: 14090, 0.00309994/step Wall: 14090, 0.00309994/step, 0.420903 hours remaining, 236.652344 MB of memory in use. ENERGY: 4511200 3870.4262 20558.7704 14412.6969 251.0089 -203206.5664 2496.7575 0.0000 0.0000 52288.1418 -109328.7647 300.5007 -161616.9065 -108965.1119 299.1857 -178.3269 -149.8960 762356.6063 23.5131 23.3755 PRESSURE: 4511400 89.4007 7.32209 157.204 7.321 56.6063 -25.6923 157.204 -25.6925 173.298 GPRESSURE: 4511400 -20.6249 75.7043 193.655 79.2509 203.999 28.8958 118.68 -11.1718 230.639 PRESSAVG: 4511400 -13.9572 13.6157 17.1027 13.6157 0.689904 5.51073 17.1027 5.51073 -19.5263 GPRESSAVG: 4511400 -15.517 16.2437 16.0094 13.5659 3.15578 6.32965 16.6016 8.14794 -20.8303 TIMING: 4511400 CPU: 14090.6, 0.00311518/step Wall: 14090.6, 0.00311518/step, 0.422799 hours remaining, 236.652344 MB of memory in use. ENERGY: 4511400 3929.9729 20479.8246 14465.1546 237.7811 -203480.7791 2983.3311 0.0000 0.0000 52291.6435 -109093.0713 300.5208 -161384.7149 -108726.9955 299.4361 106.4350 138.0043 762011.2106 -10.9312 -11.0638 PRESSURE: 4511600 -132.559 -5.8505 120.838 -5.85075 -271.382 189.767 120.838 189.768 -112.529 GPRESSURE: 4511600 -118.593 -34.1293 98.7082 10.3069 -293.413 127.985 265.361 141.708 -30.1563 PRESSAVG: 4511600 17.9042 11.9002 28.3814 11.9002 -19.7446 -19.8349 28.3814 -19.8348 23.312 GPRESSAVG: 4511600 18.7815 10.916 29.218 11.532 -22.6395 -23.0805 28.4518 -21.611 25.3366 TIMING: 4511600 CPU: 14091.2, 0.00311305/step Wall: 14091.2, 0.00311305/step, 0.422337 hours remaining, 236.652344 MB of memory in use. ENERGY: 4511600 4088.4637 20519.6678 14352.6097 233.6391 -203007.9979 2530.0073 0.0000 0.0000 52271.5336 -109012.0766 300.4052 -161283.6103 -108647.6653 300.1160 -172.1563 -147.3873 761659.9879 7.1572 7.1595 PRESSURE: 4511800 58.4295 5.94955 83.7321 5.94961 -183.246 11.1028 83.7322 11.1028 -200.393 GPRESSURE: 4511800 13.8146 -84.7504 113.668 110.619 24.0373 -12.96 109.855 74.6157 -265.976 PRESSAVG: 4511800 44.8925 -36.8554 30.0737 -36.8554 -43.7749 -39.9751 30.0738 -39.9751 1.74601 GPRESSAVG: 4511800 45.0192 -39.1518 29.1945 -35.0722 -41.8751 -38.2995 31.6634 -39.7502 -0.229388 TIMING: 4511800 CPU: 14091.9, 0.00308971/step Wall: 14091.9, 0.00308971/step, 0.418998 hours remaining, 236.652344 MB of memory in use. ENERGY: 4511800 4063.8038 20619.3917 14430.5551 248.3909 -203101.6160 2498.1606 0.0000 0.0000 52180.2176 -109061.0963 299.8804 -161241.3139 -108696.0213 300.0508 -108.4030 -76.0414 762915.0781 0.9546 0.9716 PRESSURE: 4512000 -183.527 -12.1488 -149.883 -12.1482 -257.38 -79.18 -149.883 -79.1791 -328.395 GPRESSURE: 4512000 -161.085 -25.1962 -147.6 -48.9132 -248.117 -175.543 -134.217 -99.933 -275.736 PRESSAVG: 4512000 51.6715 11.7881 25.0518 11.7881 -50.0549 1.69893 25.0519 1.699 15.8052 GPRESSAVG: 4512000 50.8278 13.8261 27.3687 10.3991 -50.338 3.72684 22.73 0.0829462 17.2652 TIMING: 4512000 CPU: 14092.5, 0.00308902/step Wall: 14092.5, 0.00308902/step, 0.418734 hours remaining, 236.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4512000 4002.0058 20543.3698 14437.9547 244.5033 -203401.8686 2751.1926 0.0000 0.0000 52306.8966 -109115.9459 300.6085 -161422.8424 -108758.1327 300.1836 -256.4338 -228.3127 762223.5921 5.8073 5.9183 PRESSURE: 4512200 292.696 -166.29 -84.4748 -166.29 -345.927 -251.969 -84.4752 -251.97 28.044 GPRESSURE: 4512200 328.938 -64.2345 -195.728 -141.902 -273.403 -265.456 -5.50851 -169.195 -4.11141 PRESSAVG: 4512200 47.2912 13.1522 10.608 13.1522 -16.5809 -7.64919 10.608 -7.64913 -8.43273 GPRESSAVG: 4512200 48.678 12.1796 8.21306 12.837 -17.4348 -10.2481 11.2627 -5.79445 -9.02661 TIMING: 4512200 CPU: 14093.1, 0.00310607/step Wall: 14093.1, 0.00310607/step, 0.420873 hours remaining, 236.652344 MB of memory in use. ENERGY: 4512200 3966.6197 20445.5266 14499.7891 233.3769 -202880.3414 2663.4090 0.0000 0.0000 52259.0191 -108812.6010 300.3333 -161071.6201 -108441.8488 300.7876 -8.3957 17.1411 763155.2027 7.4258 7.4055 LDB: ============= START OF LOAD BALANCING ============== 14105.6 LDB: ============== END OF LOAD BALANCING =============== 14105.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14105.6 LDB: ============= START OF LOAD BALANCING ============== 14105.9 LDB: Largest compute 7043 load 0.029917 is 15.3% of average load 0.195294 LDB: Average compute 0.004406 is 2.3% of average load 0.195294 LDB: TIME 14105.9 LOAD: AVG 0.195294 MAX 0.215598 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.75 MB LDB: TIME 14105.9 LOAD: AVG 0.195294 MAX 0.215598 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.75 MB LDB: TIME 14105.9 LOAD: AVG 0.195294 MAX 0.215598 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.75 MB LDB: ============== END OF LOAD BALANCING =============== 14105.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14105.9 PRESSURE: 4512400 58.5499 127.462 -92.0834 127.461 -226.28 89.8549 -92.0837 89.8542 67.5357 GPRESSURE: 4512400 81.2158 112.04 -82.0679 109.8 -169.348 18.6217 -151.431 91.0608 91.643 PRESSAVG: 4512400 36.0403 -40.445 18.8594 -40.445 -34.3289 -39.2634 18.8595 -39.2633 -13.7363 GPRESSAVG: 4512400 35.7576 -40.6442 20.8305 -41.2039 -34.6926 -38.766 17.7763 -37.3286 -13.7147 TIMING: 4512400 CPU: 14093.7, 0.00318413/step Wall: 14093.7, 0.00318413/step, 0.431272 hours remaining, 234.261719 MB of memory in use. ENERGY: 4512400 3969.7566 20309.7516 14398.0442 256.1041 -202855.4983 2492.6308 0.0000 0.0000 52377.6587 -109051.5524 301.0151 -161429.2110 -108679.4016 300.5221 -33.3980 1.1703 763165.2937 -4.0083 -4.2166 PRESSURE: 4512600 -137.853 79.2616 -30.6736 79.2627 -260.481 -80.338 -30.6734 -80.3368 -372.516 GPRESSURE: 4512600 -78.6061 82.0521 3.7456 173.423 -272.309 -91.6671 -189.77 -163.721 -319.838 PRESSAVG: 4512600 99.452 -4.3189 -23.5205 -4.31897 -64.7652 -31.8576 -23.5205 -31.8576 9.15368 GPRESSAVG: 4512600 99.2647 -5.29079 -24.3754 -2.59966 -64.6734 -31.8894 -25.2935 -34.8334 8.67248 TIMING: 4512600 CPU: 14094.4, 0.00310604/step Wall: 14094.4, 0.00310604/step, 0.420524 hours remaining, 234.261719 MB of memory in use. ENERGY: 4512600 3939.3961 20446.6800 14418.2322 253.5420 -203097.8579 2483.3876 0.0000 0.0000 52455.8523 -109100.7678 301.4645 -161556.6201 -108722.2739 299.9022 -256.9503 -223.5845 763151.2848 14.6135 14.4213 PRESSURE: 4512800 -105.001 20.3496 3.70833 20.3498 -474.859 -104.766 3.70824 -104.766 -540.181 GPRESSURE: 4512800 -69.2463 -35.8529 74.604 -11.0598 -425.45 -115.405 -64.9842 -107.563 -544.611 PRESSAVG: 4512800 -37.0992 10.2292 8.28518 10.2292 2.84456 -15.9465 8.28521 -15.9465 -0.286957 GPRESSAVG: 4512800 -37.4503 12.452 6.90152 9.33585 2.26458 -16.1484 10.9103 -14.7467 0.621785 TIMING: 4512800 CPU: 14095, 0.00309732/step Wall: 14095, 0.00309733/step, 0.419171 hours remaining, 234.589844 MB of memory in use. ENERGY: 4512800 4030.0469 20646.0406 14358.5068 270.0510 -202931.8711 2245.9124 0.0000 0.0000 52067.3875 -109313.9259 299.2320 -161381.3134 -108948.9991 299.5741 -373.3473 -346.4357 762097.5455 -11.5139 -11.5213 PRESSURE: 4513000 50.4983 -84.2923 -131.662 -84.2924 -210.7 -91.7308 -131.662 -91.7316 141.883 GPRESSURE: 4513000 6.24296 -66.4925 -154.606 -167.057 -95.5563 -35.5185 -76.6534 -89.3384 136.253 PRESSAVG: 4513000 27.2569 12.7081 -7.28542 12.7081 18.9284 -50.417 -7.28542 -50.4171 -5.11051 GPRESSAVG: 4513000 26.2886 11.6961 -7.97916 12.7773 19.7365 -50.9654 -8.06384 -50.7905 -5.43864 TIMING: 4513000 CPU: 14095.6, 0.00309442/step Wall: 14095.6, 0.00309442/step, 0.418606 hours remaining, 234.589844 MB of memory in use. ENERGY: 4513000 3988.2462 20443.6951 14473.2308 243.8850 -203528.9460 2704.7025 0.0000 0.0000 52184.4297 -109490.7567 299.9046 -161675.1864 -109120.1617 299.6104 -6.1063 15.6467 760961.5238 13.6916 13.5288 PRESSURE: 4513200 -360.03 208.374 -77.3025 208.373 -70.3603 -67.4065 -77.3021 -67.4055 137.951 GPRESSURE: 4513200 -109.002 158.864 -174.822 197.709 -113.51 -79.2621 -88.1814 -151.309 23.5852 PRESSAVG: 4513200 56.8889 -2.99654 24.3284 -2.99657 -57.61 -38.8665 24.3283 -38.8665 -2.46858 GPRESSAVG: 4513200 57.7923 -3.15631 26.0511 -3.27461 -57.8557 -39.6479 24.0223 -38.0965 -2.94658 TIMING: 4513200 CPU: 14096.2, 0.00314717/step Wall: 14096.2, 0.00314717/step, 0.425568 hours remaining, 234.589844 MB of memory in use. ENERGY: 4513200 3904.6992 20485.1970 14522.2157 246.6007 -203086.6296 2477.8115 0.0000 0.0000 51969.2514 -109480.8541 298.6680 -161450.1055 -109116.4348 298.8378 -97.4797 -66.3089 760618.5229 -1.0632 -1.0033 PRESSURE: 4513400 -110.69 -46.6407 -7.80154 -46.641 14.1336 160.673 -7.80231 160.673 -381.371 GPRESSURE: 4513400 -50.9806 3.97176 16.6551 -162.269 50.7941 78.9171 62.115 145.085 -379.561 PRESSAVG: 4513400 21.4043 -26.7063 25.4664 -26.7064 -45.4268 6.47588 25.4664 6.47592 -5.12908 GPRESSAVG: 4513400 22.819 -27.1057 22.5272 -24.6558 -46.6918 7.58459 27.7591 6.47863 -4.97761 TIMING: 4513400 CPU: 14096.8, 0.00311947/step Wall: 14096.8, 0.00311947/step, 0.421648 hours remaining, 234.589844 MB of memory in use. ENERGY: 4513400 3945.3991 20391.9903 14404.0947 251.9128 -203256.2260 2628.0791 0.0000 0.0000 52046.2518 -109588.4981 299.1105 -161634.7499 -109216.6128 298.6890 -159.3089 -126.5825 760216.3585 -9.7172 -9.6168 PRESSURE: 4513600 13.2073 -167.533 -36.5559 -167.532 -0.216222 34.2925 -36.5564 34.2926 -146.44 GPRESSURE: 4513600 -3.50108 7.14947 -7.99316 -47.5607 63.5002 -26.0039 -0.742826 142.689 -130.814 PRESSAVG: 4513600 -21.6738 -43.2033 15.5902 -43.2033 1.97363 -9.33044 15.5902 -9.33039 3.71575 GPRESSAVG: 4513600 -22.2662 -44.1735 17.9776 -42.4551 3.12104 -8.40685 14.2308 -11.3394 2.82066 TIMING: 4513600 CPU: 14097.5, 0.00309711/step Wall: 14097.5, 0.00309711/step, 0.418454 hours remaining, 234.589844 MB of memory in use. ENERGY: 4513600 4031.6051 20454.5303 14425.8305 253.5497 -203297.5106 2586.0846 0.0000 0.0000 52160.8919 -109385.0185 299.7694 -161545.9104 -109037.1245 298.7735 -44.4830 -23.6049 761330.0830 -5.3281 -5.4415 PRESSURE: 4513800 44.5959 47.8916 7.45001 47.8916 -155.223 -43.0978 7.45027 -43.0986 -10.7793 GPRESSURE: 4513800 29.9789 47.8474 96.1934 -54.7179 -77.723 10.5948 34.0627 -42.1591 -0.419439 PRESSAVG: 4513800 30.7679 -69.8167 26.4889 -69.8167 3.59766 -1.6973 26.4889 -1.69731 -9.85375 GPRESSAVG: 4513800 29.4659 -68.5098 27.2311 -71.7628 4.0762 -2.14746 26.3874 -0.00817682 -9.07529 TIMING: 4513800 CPU: 14098.1, 0.00309517/step Wall: 14098.1, 0.00309517/step, 0.41802 hours remaining, 234.589844 MB of memory in use. ENERGY: 4513800 4035.5145 20459.8489 14457.9209 235.4374 -203370.0931 2608.9948 0.0000 0.0000 52314.8880 -109257.4886 300.6544 -161572.3766 -108887.1577 299.5482 -40.4687 -16.0545 762414.0518 8.1706 8.1556 PRESSURE: 4514000 137.498 -106.258 33.994 -106.258 13.8125 -172.351 33.994 -172.351 -76.0139 GPRESSURE: 4514000 247.792 -70.4006 -3.45733 -128.257 78.5712 -249.948 -91.7094 -92.9393 -191.828 PRESSAVG: 4514000 26.893 -8.50237 5.15759 -8.50236 -21.3398 13.1252 5.15754 13.1251 10.7654 GPRESSAVG: 4514000 28.7127 -9.30706 4.29347 -7.45943 -22.0664 12.2252 6.72383 13.9387 9.6492 TIMING: 4514000 CPU: 14098.7, 0.00310117/step Wall: 14098.7, 0.00310117/step, 0.418658 hours remaining, 234.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4514000 4016.0661 20585.2624 14471.2946 248.4853 -203255.0208 2614.5496 0.0000 0.0000 52205.1867 -109114.1761 300.0239 -161319.3628 -108751.1130 299.4333 25.0990 44.8450 762259.5015 5.4395 5.4318 PRESSURE: 4514200 -214.124 247.189 10.1585 247.189 -286.744 219.647 10.1594 219.648 -161.113 GPRESSURE: 4514200 -176.52 182.156 94.4544 204.008 -291.152 234.516 -143.3 78.0488 -113.391 PRESSAVG: 4514200 0.0165468 -12.2314 24.4361 -12.2314 -35.5691 34.1913 24.4361 34.1912 -2.22205 GPRESSAVG: 4514200 -1.10522 -12.6628 24.827 -12.8105 -35.364 36.729 24.0325 31.7177 -1.07834 TIMING: 4514200 CPU: 14099.3, 0.00310554/step Wall: 14099.3, 0.00310554/step, 0.419075 hours remaining, 234.589844 MB of memory in use. ENERGY: 4514200 3982.2366 20619.3575 14499.9748 249.5445 -203123.5927 2641.2152 0.0000 0.0000 52129.0112 -109002.2530 299.5861 -161131.2641 -108636.1808 300.0974 -220.6602 -193.6877 764659.1262 -12.5915 -12.5159 PRESSURE: 4514400 -304.126 -48.0668 -169.343 -48.0667 186.792 384.004 -169.344 384.004 10.9825 GPRESSURE: 4514400 -231.184 -73.889 -131.427 -85.1585 112.49 317.897 -234.7 372 102.4 PRESSAVG: 4514400 -29.7875 6.41431 -20.6733 6.41432 24.7005 -48.1007 -20.6734 -48.1007 22.0804 GPRESSAVG: 4514400 -28.8189 7.78632 -21.4789 5.8685 23.9708 -49.9616 -22.4675 -47.4634 21.87 TIMING: 4514400 CPU: 14099.9, 0.00312014/step Wall: 14099.9, 0.00312014/step, 0.420872 hours remaining, 234.589844 MB of memory in use. ENERGY: 4514400 4026.2209 20571.8715 14458.3764 252.4125 -203064.5544 2571.1276 0.0000 0.0000 52169.2837 -109015.2618 299.8176 -161184.5455 -108654.9543 300.3636 -35.4507 -5.4314 763541.1653 5.6644 5.6740 PRESSURE: 4514600 -114.47 25.0548 -179.066 25.056 -155.653 11.4156 -179.066 11.4156 81.3317 GPRESSURE: 4514600 -29.5362 -16.8263 -249.013 -25.6268 -136.193 -53.6016 -201.454 -6.31006 59.9438 PRESSAVG: 4514600 -25.8082 -1.84633 -5.75267 -1.8463 41.6224 -41.6943 -5.75267 -41.6943 -11.8725 GPRESSAVG: 4514600 -26.323 -2.71302 -4.32042 0.260945 42.9846 -42.9815 -5.13085 -40.4816 -12.8859 TIMING: 4514600 CPU: 14100.6, 0.00310907/step Wall: 14100.6, 0.00310907/step, 0.419206 hours remaining, 234.589844 MB of memory in use. ENERGY: 4514600 4041.6718 20601.7397 14448.0049 240.1184 -203046.6677 2519.1727 0.0000 0.0000 52163.9309 -109032.0293 299.7868 -161195.9603 -108670.1882 299.9512 -62.9304 -35.2617 762883.1902 1.3139 1.2586 PRESSURE: 4514800 220.411 -35.124 -130.392 -35.1238 -244.44 -125.784 -130.392 -125.784 354.25 GPRESSURE: 4514800 289.394 -37.0383 -95.0375 -133.174 -197.534 -182.625 -37.1476 -200.257 329.135 PRESSAVG: 4514800 -33.6293 -2.61815 -37.163 -2.6181 66.3089 9.96764 -37.1629 9.96759 -24.7649 GPRESSAVG: 4514800 -33.1734 -2.18759 -37.7033 -6.65909 64.2539 10.3857 -38.4141 9.41858 -23.239 TIMING: 4514800 CPU: 14101.2, 0.00311445/step Wall: 14101.2, 0.00311445/step, 0.419759 hours remaining, 234.589844 MB of memory in use. ENERGY: 4514800 3998.8238 20578.4037 14367.5041 252.0795 -203174.5597 2747.7807 0.0000 0.0000 52258.6697 -108971.2980 300.3313 -161229.9678 -108617.2251 300.2443 110.0736 140.3318 763034.6278 2.6383 2.6138 PRESSURE: 4515000 -168.425 -169.267 -13.0376 -169.267 30.1783 241.332 -13.0375 241.332 -127.214 GPRESSURE: 4515000 -105.159 -220.7 -154.139 -214.47 77.765 219.81 178.04 321.33 -156.772 PRESSAVG: 4515000 17.3847 -20.4339 -23.2292 -20.4339 9.08551 58.4073 -23.2292 58.4074 10.3941 GPRESSAVG: 4515000 17.2525 -21.864 -24.8284 -18.0409 10.6444 59.1847 -20.4269 57.359 9.04424 TIMING: 4515000 CPU: 14101.8, 0.00310636/step Wall: 14101.8, 0.00310636/step, 0.418496 hours remaining, 234.589844 MB of memory in use. ENERGY: 4515000 3992.1438 20587.6253 14331.1174 263.9792 -202925.2329 2588.0081 0.0000 0.0000 52144.4505 -109017.9086 299.6749 -161162.3591 -108647.5760 300.3061 -88.4869 -61.3887 764023.0121 12.2881 12.3137 PRESSURE: 4515200 -59.036 -112.413 -44.1733 -112.412 263.665 -44.9708 -44.1742 -44.9698 4.76102 GPRESSURE: 4515200 -122.647 -71.1427 -29.4701 -88.6253 286.619 -148.337 -203.841 47.8696 132.778 PRESSAVG: 4515200 -0.937994 -31.2366 -42.1769 -31.2365 -23.0895 -29.4107 -42.1769 -29.4106 2.43917 GPRESSAVG: 4515200 -0.536095 -30.7361 -39.9864 -31.9646 -24.2904 -31.1068 -44.8586 -26.4894 3.66401 TIMING: 4515200 CPU: 14102.4, 0.00309769/step Wall: 14102.4, 0.00309769/step, 0.417156 hours remaining, 234.589844 MB of memory in use. ENERGY: 4515200 4013.0696 20569.5902 14422.2098 226.0018 -202965.2671 2580.3822 0.0000 0.0000 52263.4989 -108890.5146 300.3590 -161154.0135 -108526.2688 300.8453 69.7968 98.9166 762778.8981 -7.1961 -7.0542 PRESSURE: 4515400 260.79 36.5857 -2.21585 36.5852 537.349 20.1103 -2.2158 20.1111 49.1322 GPRESSURE: 4515400 269.803 114.712 -17.3033 -0.600546 576.531 0.291201 -3.43013 -69.1868 72.0183 PRESSAVG: 4515400 -26.4368 -15.4864 2.24907 -15.4864 4.45574 -36.3318 2.24907 -36.3318 -12.8457 GPRESSAVG: 4515400 -25.5616 -12.2632 2.53757 -15.9778 4.35511 -36.0745 1.13765 -36.5686 -13.7465 TIMING: 4515400 CPU: 14103.1, 0.00310686/step Wall: 14103.1, 0.00310686/step, 0.418218 hours remaining, 234.589844 MB of memory in use. ENERGY: 4515400 4017.0092 20396.9220 14421.0648 249.5930 -203152.7906 2862.0609 0.0000 0.0000 52364.0103 -108842.1305 300.9367 -161206.1408 -108474.4400 300.0795 282.4240 306.1174 763761.7977 -11.6089 -11.6510 PRESSURE: 4515600 -203.758 -56.2272 10.2458 -56.2274 -289.32 -16.163 10.2468 -16.1618 111.356 GPRESSURE: 4515600 -141.015 -108.183 -23.0296 -108.66 -246.807 -110.974 -26.5711 75.5835 100.323 PRESSAVG: 4515600 -33.3111 -21.8271 -30.6311 -21.8271 40.6885 27.1486 -30.631 27.1487 -13.9982 GPRESSAVG: 4515600 -34.1286 -24.321 -31.8676 -21.0712 41.5977 26.3781 -29.614 26.8774 -13.9422 TIMING: 4515600 CPU: 14103.7, 0.00310465/step Wall: 14103.7, 0.00310465/step, 0.417748 hours remaining, 234.589844 MB of memory in use. ENERGY: 4515600 3998.0951 20482.0458 14412.8789 235.8097 -203209.2221 2781.5134 0.0000 0.0000 52344.1146 -108954.7645 300.8223 -161298.8792 -108583.1794 300.7518 -127.2407 -95.8334 763976.4353 -2.2069 -2.1577 PRESSURE: 4515800 168.481 75.7381 -30.8126 75.7381 167.403 124.323 -30.8126 124.322 -515.806 GPRESSURE: 4515800 202.446 63.3808 -45.9031 102.823 128.522 127.565 52.4503 168.255 -440.459 PRESSAVG: 4515800 14.0079 -78.6544 20.5708 -78.6544 -0.559009 -4.8483 20.5708 -4.84832 10.706 GPRESSAVG: 4515800 15.2879 -78.4202 21.6882 -79.0379 -1.4162 -3.29903 21.7186 -5.52253 10.1268 TIMING: 4515800 CPU: 14104.3, 0.00309205/step Wall: 14104.3, 0.00309206/step, 0.415881 hours remaining, 234.589844 MB of memory in use. ENERGY: 4515800 3973.1684 20705.0237 14406.5838 251.3417 -203179.3527 2804.0410 0.0000 0.0000 52215.2981 -108823.8961 300.0820 -161039.1942 -108466.4282 300.3404 -59.9738 -36.4970 763336.4407 8.0516 7.9995 PRESSURE: 4516000 123.459 -23.9184 -208.753 -23.9183 232.881 -83.8193 -208.753 -83.8206 341.552 GPRESSURE: 4516000 144.548 -23.8768 -198.534 -108.305 210.776 -7.13537 -167.884 -137.573 428.896 PRESSAVG: 4516000 68.7214 -14.0703 21.0908 -14.0703 -26.2073 16.9874 21.0908 16.9875 -6.81942 GPRESSAVG: 4516000 68.1851 -13.6195 18.8469 -13.7478 -25.4414 18.0071 22.3417 17.8556 -7.10373 TIMING: 4516000 CPU: 14104.9, 0.0031075/step Wall: 14104.9, 0.0031075/step, 0.417786 hours remaining, 234.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4516000 3929.6274 20629.2640 14479.4110 234.7102 -202766.1625 2602.2623 0.0000 0.0000 52213.5452 -108677.3423 300.0720 -160890.8875 -108310.2022 300.7191 232.6306 261.4069 764297.9385 11.8982 11.8800 PRESSURE: 4516200 -67.5192 -19.885 10.0787 -19.8866 -380.941 -114.846 10.0781 -114.847 26.139 GPRESSURE: 4516200 -120.231 30.5422 -42.9562 24.9501 -330.676 -58.4726 61.0581 -194.827 130.466 PRESSAVG: 4516200 29.0088 -54.2271 -1.35306 -54.2271 -20.452 -5.45161 -1.3531 -5.45156 16.6435 GPRESSAVG: 4516200 27.3931 -55.0082 0.225142 -54.3896 -19.7668 -6.57265 -2.67595 -5.82526 17.5823 TIMING: 4516200 CPU: 14105.5, 0.00310345/step Wall: 14105.5, 0.00310344/step, 0.417069 hours remaining, 234.589844 MB of memory in use. ENERGY: 4516200 4066.8109 20536.3588 14427.4368 250.0716 -202862.1688 2580.8098 0.0000 0.0000 52308.0296 -108692.6515 300.6150 -161000.6810 -108322.4778 300.3825 -140.7738 -106.8137 763707.9968 8.4001 8.4028 LDB: ============= START OF LOAD BALANCING ============== 14118 LDB: ============== END OF LOAD BALANCING =============== 14118 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14118 LDB: ============= START OF LOAD BALANCING ============== 14118.3 LDB: Largest compute 7028 load 0.033482 is 17.1% of average load 0.195356 LDB: Average compute 0.004378 is 2.2% of average load 0.195356 LDB: TIME 14118.3 LOAD: AVG 0.195356 MAX 0.215348 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.52 MB LDB: TIME 14118.3 LOAD: AVG 0.195356 MAX 0.215348 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.543 MB LDB: TIME 14118.3 LOAD: AVG 0.195356 MAX 0.215348 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.543 MB LDB: ============== END OF LOAD BALANCING =============== 14118.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14118.3 PRESSURE: 4516400 -15.7241 -306.353 55.0986 -306.353 -93.5836 284.956 55.0985 284.956 233.709 GPRESSURE: 4516400 -17.5198 -267.874 104.047 -217.033 7.66632 264.824 60.7104 109.871 227.577 PRESSAVG: 4516400 -35.1128 -14.7472 36.9268 -14.7472 10.6618 20.3814 36.9268 20.3813 9.92584 GPRESSAVG: 4516400 -35.1569 -13.4448 35.7724 -14.2891 11.1098 21.469 39.7948 19.4267 9.37662 TIMING: 4516400 CPU: 14106.2, 0.00316153/step Wall: 14106.2, 0.00316153/step, 0.424698 hours remaining, 235.031250 MB of memory in use. ENERGY: 4516400 3993.9429 20674.7923 14432.7908 271.0795 -203133.8650 2688.4606 0.0000 0.0000 52578.6665 -108494.1323 302.1703 -161072.7988 -108122.5655 301.1483 41.4671 72.5746 763151.8578 -4.8417 -4.8902 PRESSURE: 4516600 107.485 -42.2005 135.233 -42.2009 138.931 155.984 135.233 155.984 28.4294 GPRESSURE: 4516600 73.4748 -76.0004 91.2735 68.3804 150.41 132.745 226.926 204.093 144.474 PRESSAVG: 4516600 -28.2677 -38.8885 26.5918 -38.8884 3.81145 23.2754 26.5918 23.2754 -13.5986 GPRESSAVG: 4516600 -26.9328 -38.9993 26.4358 -40.6814 2.02397 21.2708 23.7949 23.3174 -13.4168 TIMING: 4516600 CPU: 14106.8, 0.0030902/step Wall: 14106.8, 0.0030902/step, 0.414946 hours remaining, 235.234375 MB of memory in use. ENERGY: 4516600 4024.9310 20599.0901 14469.3133 247.6920 -203411.6877 3104.5337 0.0000 0.0000 52141.5928 -108824.5348 299.6585 -160966.1276 -108451.7342 300.9020 91.6152 122.7865 764406.9792 -12.6850 -12.7752 PRESSURE: 4516800 22.1671 -188.096 -141.544 -188.096 155.045 247.635 -141.544 247.635 124.488 GPRESSURE: 4516800 46.6078 -239.049 -61.2118 -154.74 154.418 246.55 -222.442 270.482 195.869 PRESSAVG: 4516800 26.2747 -46.0733 35.9755 -46.0733 9.76329 -15.8883 35.9755 -15.8883 -5.90801 GPRESSAVG: 4516800 26.0988 -45.3805 36.7527 -43.3974 10.3715 -16.6567 33.4296 -14.0176 -6.422 TIMING: 4516800 CPU: 14107.4, 0.00311045/step Wall: 14107.4, 0.00311045/step, 0.417491 hours remaining, 235.234375 MB of memory in use. ENERGY: 4516800 3957.5605 20515.5267 14441.5019 230.9351 -203047.8770 2490.4405 0.0000 0.0000 52445.7657 -108966.1465 301.4065 -161411.9122 -108600.2485 300.3415 100.5669 132.2983 763150.7192 10.0433 10.0161 PRESSURE: 4517000 -440.532 63.543 39.6035 63.5428 -127.561 256.108 39.6033 256.109 6.42209 GPRESSURE: 4517000 -390.308 0.0531964 127.297 7.84553 -37.6818 256.271 -4.26143 191.267 -22.9059 PRESSAVG: 4517000 -14.7475 13.7905 4.50226 13.7906 -5.51779 -14.3176 4.50227 -14.3176 -19.2242 GPRESSAVG: 4517000 -15.1373 12.9846 5.23004 12.4163 -5.1994 -12.5259 6.17582 -16.8436 -19.8632 TIMING: 4517000 CPU: 14108, 0.00310649/step Wall: 14108, 0.00310649/step, 0.416788 hours remaining, 235.234375 MB of memory in use. ENERGY: 4517000 3922.3035 20419.6479 14429.4730 231.5504 -202758.3121 2448.5955 0.0000 0.0000 52127.2005 -109179.5412 299.5757 -161306.7417 -108810.2086 300.0443 -187.2239 -150.2985 762542.4759 -13.1632 -13.4000 PRESSURE: 4517200 5.03895 -28.6275 7.00693 -28.6277 55.9198 -276.27 7.00611 -276.269 -88.3234 GPRESSURE: 4517200 26.4528 34.1192 -6.52608 -122.837 49.7233 -355.486 44.0606 -251.121 -5.37198 PRESSAVG: 4517200 -49.6879 -20.0384 42.1839 -20.0384 26.6333 -10.1307 42.1839 -10.1306 6.07151 GPRESSAVG: 4517200 -50.0275 -20.0845 41.3059 -21.689 26.892 -12.3841 42.0633 -6.69308 6.27081 TIMING: 4517200 CPU: 14108.6, 0.00308509/step Wall: 14108.6, 0.00308509/step, 0.413745 hours remaining, 235.234375 MB of memory in use. ENERGY: 4517200 4049.3491 20448.8400 14300.4228 249.8100 -203056.3635 2672.0157 0.0000 0.0000 52205.2647 -109130.6611 300.0244 -161335.9258 -108774.2606 299.7067 -9.1215 23.6014 762492.3636 -5.6610 -5.6216 PRESSURE: 4517400 -317.144 24.5803 -150.352 24.5806 100.85 -163.814 -150.352 -163.814 -82.2412 GPRESSURE: 4517400 -233.578 -27.6225 -126.641 -39.7329 133.106 -215.216 -243.983 -170.254 -114.059 PRESSAVG: 4517400 14.9462 -50.4947 0.0776891 -50.4947 27.0462 -30.9271 0.0776537 -30.9271 -10.6712 GPRESSAVG: 4517400 14.8383 -53.1755 1.06642 -47.2206 26.0388 -28.3448 1.54779 -32.8502 -10.1094 TIMING: 4517400 CPU: 14109.3, 0.00310013/step Wall: 14109.3, 0.00310013/step, 0.41559 hours remaining, 235.234375 MB of memory in use. ENERGY: 4517400 4018.6383 20557.6562 14351.1714 258.7500 -203106.5250 2526.3421 0.0000 0.0000 52321.9158 -109072.0512 300.6948 -161393.9670 -108706.2379 300.3852 -99.5118 -71.5105 763609.7923 10.4404 10.2559 PRESSURE: 4517600 -500.594 -139.925 -57.8845 -139.923 126.765 -169.931 -57.8849 -169.931 227.276 GPRESSURE: 4517600 -347.589 -117.765 -17.7862 -122.884 80.6373 -195.35 -213.181 -97.8171 220.101 PRESSAVG: 4517600 -56.8203 -53.2026 5.37873 -53.2027 49.6765 -24.8341 5.37881 -24.8341 7.99642 GPRESSAVG: 4517600 -56.5419 -48.5575 5.47497 -56.5266 49.9494 -23.9421 4.09498 -26.4306 6.76645 TIMING: 4517600 CPU: 14109.9, 0.00309855/step Wall: 14109.9, 0.00309855/step, 0.415205 hours remaining, 235.433594 MB of memory in use. ENERGY: 4517600 3994.2509 20571.9906 14410.5986 254.3632 -203230.3578 2749.1219 0.0000 0.0000 52144.3758 -109105.6567 299.6744 -161250.0325 -108740.5999 300.0729 -48.8512 -15.6169 763831.5761 0.2842 0.0580 PRESSURE: 4517800 -176.532 -115.366 67.2202 -115.366 -125.145 -84.0671 67.2201 -84.0667 206.556 GPRESSURE: 4517800 -124.329 -72.2187 -26.8764 -209.971 -31.4158 -33.756 27.9402 -103.6 149.701 PRESSAVG: 4517800 -32.483 -46.3957 61.7765 -46.3956 46.4866 -19.6775 61.7766 -19.6775 0.952833 GPRESSAVG: 4517800 -32.8511 -48.6069 60.6462 -43.7123 46.1745 -21.8851 59.6116 -17.8465 2.69522 TIMING: 4517800 CPU: 14110.5, 0.00309285/step Wall: 14110.5, 0.00309285/step, 0.41427 hours remaining, 235.433594 MB of memory in use. ENERGY: 4517800 3998.1559 20612.9898 14454.3346 236.2398 -203141.8227 2504.3068 0.0000 0.0000 52139.6349 -109196.1609 299.6472 -161335.7959 -108845.1550 299.6928 -31.7070 -2.0147 764095.6607 4.9855 5.3395 PRESSURE: 4518000 80.7181 -4.69354 -51.4047 -4.69381 -243.291 -47.0171 -51.4049 -47.017 -134.673 GPRESSURE: 4518000 81.6877 26.8278 -19.562 108.458 -120.161 -90.6542 32.8318 66.4846 -181.527 PRESSAVG: 4518000 -57.2055 -15.2894 2.12901 -15.2894 55.7297 -0.527126 2.12902 -0.527131 4.07458 GPRESSAVG: 4518000 -57.1184 -17.589 2.67126 -15.0191 55.4038 -0.321 6.32471 -0.720207 3.8518 TIMING: 4518000 CPU: 14111.1, 0.00308893/step Wall: 14111.1, 0.00308893/step, 0.413574 hours remaining, 235.433594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4518000 3984.0383 20668.5325 14402.9606 258.8750 -203720.2635 2975.7173 0.0000 0.0000 52181.8697 -109248.2702 299.8899 -161430.1399 -108884.3375 299.3571 -99.0820 -73.3334 762788.6951 0.8663 0.7124 PRESSURE: 4518200 154.32 -81.6406 133.383 -81.6411 -186.21 258.556 133.384 258.555 324.129 GPRESSURE: 4518200 107.158 -27.1586 138.207 -41.1373 -117.684 363.419 64.7976 167.845 366.435 PRESSAVG: 4518200 -61.8427 1.26872 7.54816 1.26874 32.7708 -3.04342 7.5482 -3.0434 29.8367 GPRESSAVG: 4518200 -62.5549 4.76682 6.4634 1.39753 33.9828 -1.05796 6.05698 -3.4053 28.9919 TIMING: 4518200 CPU: 14111.7, 0.00309098/step Wall: 14111.7, 0.00309098/step, 0.413676 hours remaining, 235.433594 MB of memory in use. ENERGY: 4518200 4001.3812 20446.7746 14449.3556 236.8526 -203538.7245 2797.5911 0.0000 0.0000 52229.9369 -109376.8326 300.1662 -161606.7695 -109002.1164 299.6205 97.4131 118.6365 762384.0029 0.2549 0.1399 PRESSURE: 4518400 -0.0432812 17.3066 118.043 17.306 -427.064 -298.902 118.042 -298.901 -373.02 GPRESSURE: 4518400 -66.8481 -50.0681 121.937 -37.3086 -311.338 -323.789 54.9878 -254.181 -342.933 PRESSAVG: 4518400 -13.9196 0.0732403 -23.152 0.0732684 -19.6292 39.6541 -23.152 39.6541 24.9872 GPRESSAVG: 4518400 -13.6933 -3.08562 -22.5178 -1.07234 -19.6549 38.0833 -23.4966 39.8432 24.4667 TIMING: 4518400 CPU: 14112.4, 0.00309234/step Wall: 14112.4, 0.00309234/step, 0.413687 hours remaining, 235.433594 MB of memory in use. ENERGY: 4518400 4038.9636 20411.5024 14432.7078 224.9655 -203082.3952 2372.7577 0.0000 0.0000 52117.7987 -109483.6994 299.5217 -161601.4981 -109118.2641 299.4480 -266.7089 -240.3730 761669.3403 -2.8539 -2.9605 PRESSURE: 4518600 -88.223 3.98913 -346.641 3.98943 -173.257 -37.3692 -346.641 -37.3696 -108.959 GPRESSURE: 4518600 -115.45 28.6317 -400.025 175.839 -108.455 -76.0864 -232.107 -2.21986 -62.2997 PRESSAVG: 4518600 -17.1449 17.4887 -63.875 17.4887 1.94364 12.9964 -63.8751 12.9964 3.64802 GPRESSAVG: 4518600 -16.8963 17.3971 -63.1374 19.382 0.950608 12.1286 -65.0743 13.1696 4.75843 TIMING: 4518600 CPU: 14113, 0.00309975/step Wall: 14113, 0.00309975/step, 0.414506 hours remaining, 235.433594 MB of memory in use. ENERGY: 4518600 4022.0219 20594.9887 14375.1338 252.2858 -203096.9477 2518.4856 0.0000 0.0000 51854.7170 -109479.3149 298.0098 -161334.0319 -109114.4185 299.2100 -123.4799 -95.4014 761644.2953 -3.8511 -3.7291 PRESSURE: 4518800 276.126 -189.469 -109.279 -189.47 -316.25 183.164 -109.279 183.164 -267.648 GPRESSURE: 4518800 305.5 -290.417 -95.5547 -77.3724 -274.253 155.752 9.88533 151.163 -249.127 PRESSAVG: 4518800 -4.01126 -49.5843 -26.0503 -49.5843 -15.3337 49.9253 -26.0503 49.9253 -35.2087 GPRESSAVG: 4518800 -4.08218 -49.6221 -26.2726 -50.5862 -14.0016 52.3792 -24.4114 49.4751 -35.5705 TIMING: 4518800 CPU: 14113.6, 0.00309572/step Wall: 14113.6, 0.00309572/step, 0.413795 hours remaining, 235.433594 MB of memory in use. ENERGY: 4518800 3975.5744 20356.8339 14432.5516 255.8561 -203462.5857 2796.2133 0.0000 0.0000 52283.0193 -109362.5371 300.4712 -161645.5565 -109005.3507 299.5398 -102.5905 -72.6269 760941.7240 -18.1845 -17.8848 PRESSURE: 4519000 220.821 -38.3856 60.1275 -38.385 -404.005 21.164 60.1261 21.1641 -28.0521 GPRESSURE: 4519000 164.429 44.1173 25.0595 -93.4232 -328.871 -13.7132 136.686 11.4586 14.9828 PRESSAVG: 4519000 -7.90906 -73.6667 9.76464 -73.6667 -3.92719 0.834797 9.76466 0.834806 18.3129 GPRESSAVG: 4519000 -8.67544 -72.258 8.53226 -73.4992 -3.73563 -0.795159 11.8696 -0.571803 18.9207 TIMING: 4519000 CPU: 14114.2, 0.00311297/step Wall: 14114.2, 0.00311297/step, 0.415927 hours remaining, 235.433594 MB of memory in use. ENERGY: 4519000 3982.8022 20497.8867 14347.7252 254.7050 -203276.5089 2696.5404 0.0000 0.0000 52399.6882 -109097.1611 301.1417 -161496.8493 -108739.8277 299.8682 -70.4121 -49.8196 762310.3408 2.1589 2.1699 PRESSURE: 4519200 -285.131 30.0552 134.381 30.0559 -594.112 130.086 134.38 130.086 -214.088 GPRESSURE: 4519200 -230.128 -18.1213 138.989 123.544 -559.558 228.227 114.638 124.782 -241.309 PRESSAVG: 4519200 -22.6465 -50.4457 25.9238 -50.4458 24.4586 0.409839 25.9237 0.409826 0.129225 GPRESSAVG: 4519200 -22.015 -48.3923 26.5789 -51.6636 24.1366 0.35785 23.0506 1.55154 0.163776 TIMING: 4519200 CPU: 14114.8, 0.0031038/step Wall: 14114.8, 0.0031038/step, 0.41453 hours remaining, 235.433594 MB of memory in use. ENERGY: 4519200 4012.0060 20460.1916 14421.4506 251.7305 -203343.2185 2534.5024 0.0000 0.0000 52332.9090 -109330.4284 300.7579 -161663.3374 -108957.9495 300.1585 -364.4438 -343.6648 762293.2427 0.6471 0.7618 PRESSURE: 4519400 -133.479 -20.3181 221.61 -20.3178 -186.239 -24.1523 221.609 -24.1534 -64.9238 GPRESSURE: 4519400 -82.1126 -144.191 218.422 -56.4916 -144.104 -50.4264 194.945 10.4503 -79.2567 PRESSAVG: 4519400 -67.5211 -83.086 -24.7528 -83.086 42.9956 -5.85444 -24.7527 -5.85449 -23.4419 GPRESSAVG: 4519400 -67.2103 -86.1172 -23.8291 -81.7526 42.554 -6.42731 -24.1003 -5.75971 -23.4508 TIMING: 4519400 CPU: 14115.5, 0.00310063/step Wall: 14115.5, 0.00310063/step, 0.413934 hours remaining, 235.433594 MB of memory in use. ENERGY: 4519400 4053.8074 20632.6937 14483.0924 254.2003 -203360.8702 2592.0792 0.0000 0.0000 52259.0265 -109085.9706 300.3333 -161344.9972 -108719.6192 299.9945 -128.2139 -101.8243 763965.8827 -15.9892 -16.0357 PRESSURE: 4519600 -3.31834 -96.9913 110.804 -96.9908 -99.3434 -81.5573 110.804 -81.5577 -84.7632 GPRESSURE: 4519600 2.30308 -77.1062 128.66 -109.344 -59.3177 -119.411 98.3397 -74.1799 -53.7782 PRESSAVG: 4519600 -10.6176 -111.454 -38.9655 -111.454 -38.2404 -22.8971 -38.9655 -22.8971 -2.13994 GPRESSAVG: 4519600 -11.5521 -112.005 -41.5583 -111.907 -37.7683 -21.911 -35.9252 -23.3089 -2.52381 TIMING: 4519600 CPU: 14116.1, 0.00308767/step Wall: 14116.1, 0.00308767/step, 0.412032 hours remaining, 235.433594 MB of memory in use. ENERGY: 4519600 3980.0389 20539.5331 14387.9566 243.6564 -203422.1390 2719.4841 0.0000 0.0000 52336.4515 -109215.0183 300.7783 -161551.4698 -108839.0989 299.6171 -62.4750 -36.9309 764086.3608 -16.9993 -17.2814 PRESSURE: 4519800 -78.8383 80.5758 -244.956 80.5764 330.947 -69.7509 -244.957 -69.75 3.84596 GPRESSURE: 4519800 -10.4534 -4.87963 -170.086 42.2857 360.383 -105.264 -224.118 29.9916 -1.23227 PRESSAVG: 4519800 -2.06445 -102.192 -40.0982 -102.192 31.6852 -44.0763 -40.0983 -44.0763 6.31396 GPRESSAVG: 4519800 -2.98376 -101.67 -38.1554 -103.25 31.8563 -43.9686 -42.3986 -42.9102 7.48676 TIMING: 4519800 CPU: 14116.7, 0.00309195/step Wall: 14116.7, 0.00309195/step, 0.412432 hours remaining, 235.433594 MB of memory in use. ENERGY: 4519800 3927.3427 20589.3774 14393.4668 244.8027 -203030.2781 2593.3504 0.0000 0.0000 52087.1726 -109194.7655 299.3457 -161281.9381 -108821.5999 299.9264 85.3181 116.2326 763174.6938 11.9782 12.1198 PRESSURE: 4520000 -283.465 4.00497 223.251 4.00452 31.2095 -147.039 223.252 -147.039 -309.62 GPRESSURE: 4520000 -226.927 68.0686 245.175 -57.8751 52.932 -150.385 161.409 -252.464 -303.183 PRESSAVG: 4520000 8.08551 -48.1551 17.0123 -48.1552 62.3952 -46.8012 17.0124 -46.8013 24.4672 GPRESSAVG: 4520000 8.89891 -47.8035 17.2827 -47.0665 62.192 -47.3749 17.5994 -47.7904 23.5938 TIMING: 4520000 CPU: 14117.3, 0.0030959/step Wall: 14117.3, 0.0030959/step, 0.412787 hours remaining, 235.433594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4520000 3946.8280 20460.4277 14456.8230 258.3903 -203347.5510 2554.0829 0.0000 0.0000 52198.1307 -109472.8684 299.9834 -161670.9990 -109104.9707 299.5779 -187.2921 -159.0596 763463.3778 31.6493 31.5616 PRESSURE: 4520200 -21.1914 7.08566 -81.5552 7.085 -308.363 113.057 -81.5553 113.056 -351.577 GPRESSURE: 4520200 -3.83983 11.1866 -94.6995 -65.8919 -259.855 69.1407 -107.641 44.0997 -323.129 PRESSAVG: 4520200 -39.8423 -25.9091 29.8443 -25.9092 36.1848 29.6876 29.8443 29.6876 -2.7731 GPRESSAVG: 4520200 -39.6147 -24.755 29.5281 -26.1775 36.2703 29.611 29.2549 29.6528 -2.78995 TIMING: 4520200 CPU: 14117.9, 0.00311528/step Wall: 14117.9, 0.00311528/step, 0.415198 hours remaining, 235.433594 MB of memory in use. ENERGY: 4520200 4016.7403 20469.1092 14413.8213 265.8436 -203360.6350 2696.7246 0.0000 0.0000 52230.9358 -109267.4602 300.1719 -161498.3960 -108904.7227 299.3041 -227.0438 -195.6078 762123.3822 -2.1435 -2.0448 LDB: ============= START OF LOAD BALANCING ============== 14130.4 LDB: ============== END OF LOAD BALANCING =============== 14130.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14130.4 LDB: ============= START OF LOAD BALANCING ============== 14130.7 LDB: Largest compute 7028 load 0.032202 is 16.5% of average load 0.195343 LDB: Average compute 0.004426 is 2.3% of average load 0.195343 LDB: TIME 14130.7 LOAD: AVG 0.195343 MAX 0.215823 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.102 MB LDB: TIME 14130.7 LOAD: AVG 0.195343 MAX 0.215823 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.105 MB LDB: TIME 14130.7 LOAD: AVG 0.195343 MAX 0.215823 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.105 MB LDB: ============== END OF LOAD BALANCING =============== 14130.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14130.7 PRESSURE: 4520400 -498.277 -157.329 -13.1137 -157.329 116.26 148.451 -13.1141 148.45 -340.149 GPRESSURE: 4520400 -385.393 -212.938 -113.37 -163.882 56.7535 157.527 -49.8938 181.124 -327.85 PRESSAVG: 4520400 0.792979 -14.9143 20.1108 -14.9143 2.17018 -27.3705 20.1108 -27.3705 24.128 GPRESSAVG: 4520400 0.663905 -16.1487 18.4581 -15.9659 1.33695 -28.6712 21.958 -25.341 25.0356 TIMING: 4520400 CPU: 14118.6, 0.00318202/step Wall: 14118.6, 0.00318202/step, 0.423916 hours remaining, 234.453125 MB of memory in use. ENERGY: 4520400 4014.3547 20486.7776 14440.3587 244.0185 -203037.0622 2372.8873 0.0000 0.0000 51992.8432 -109485.8222 298.8036 -161478.6654 -109113.7168 299.2669 -240.7218 -218.8299 763856.9347 9.0304 9.0122 PRESSURE: 4520600 -67.2229 109.26 82.7229 109.26 -108.927 -126.78 82.7226 -126.778 -98.7303 GPRESSURE: 4520600 -89.2973 56.8293 128.29 69.3002 15.8961 -175.999 68.4482 -71.8741 -129.932 PRESSAVG: 4520600 21.4526 4.2991 -14.0022 4.29912 -16.9603 -40.712 -14.0022 -40.7121 11.1987 GPRESSAVG: 4520600 21.8505 5.57643 -11.1606 7.41533 -16.2966 -38.8785 -15.7347 -43.1575 10.6378 TIMING: 4520600 CPU: 14119.2, 0.00310286/step Wall: 14119.2, 0.00310286/step, 0.413197 hours remaining, 234.523438 MB of memory in use. ENERGY: 4520600 4057.3376 20410.8247 14487.1723 261.5612 -203170.8657 2494.0627 0.0000 0.0000 52069.7425 -109390.1647 299.2455 -161459.9072 -109028.6086 299.1318 -91.6268 -67.7776 763015.9763 5.2303 5.3972 PRESSURE: 4520800 17.954 -159.217 -49.303 -159.216 -10.5698 90.8212 -49.3021 90.8209 -146.74 GPRESSURE: 4520800 59.3087 -148.489 -40.2446 -175.453 52.9577 80.3752 -36.188 70.8623 -183.592 PRESSAVG: 4520800 2.81299 -19.2222 -26.1906 -19.2222 21.4961 -6.70696 -26.1906 -6.70681 -15.0422 GPRESSAVG: 4520800 3.31014 -20.4949 -27.6904 -20.4436 20.8245 -7.34105 -25.6935 -6.05566 -14.9221 TIMING: 4520800 CPU: 14119.8, 0.00310235/step Wall: 14119.8, 0.00310235/step, 0.412957 hours remaining, 234.523438 MB of memory in use. ENERGY: 4520800 3974.8831 20409.2646 14418.9368 230.0115 -203243.4276 2581.2901 0.0000 0.0000 52332.4209 -109296.6205 300.7551 -161629.0414 -108918.7041 299.6231 -46.4521 -23.7752 762307.0037 3.0889 3.0708 PRESSURE: 4521000 -221.873 36.6694 160.232 36.6688 -32.9939 153.338 160.231 153.337 -118.404 GPRESSURE: 4521000 -166.078 144.453 100.972 -47.6423 62.6265 157.154 171.203 88.7741 -171.35 PRESSAVG: 4521000 0.708007 -19.3151 -94.7848 -19.3152 -9.25327 10.7796 -94.7848 10.7796 -21.5931 GPRESSAVG: 4521000 -0.0235949 -18.3203 -94.1935 -21.1832 -9.07808 10.9598 -95.7657 11.7591 -20.7121 TIMING: 4521000 CPU: 14120.4, 0.00310491/step Wall: 14120.4, 0.00310491/step, 0.413126 hours remaining, 234.722656 MB of memory in use. ENERGY: 4521000 4010.5594 20303.6506 14463.5997 255.7601 -203452.0105 2900.5554 0.0000 0.0000 52256.2314 -109261.6540 300.3173 -161517.8854 -108899.0433 299.3162 -124.4236 -91.6005 762475.5815 -10.0461 -9.9379 PRESSURE: 4521200 -213.727 181.323 -407.247 181.323 125.885 -61.0428 -407.247 -61.0424 -387.098 GPRESSURE: 4521200 -115.385 177.122 -411.533 98.3647 102.704 -70.7468 -308.101 53.5346 -395.806 PRESSAVG: 4521200 41.6272 -23.5118 -46.9042 -23.5118 -24.2901 44.6616 -46.9042 44.6616 -2.36119 GPRESSAVG: 4521200 41.6401 -23.8785 -47.8882 -22.9384 -23.5287 44.2445 -45.4642 42.447 -3.33242 TIMING: 4521200 CPU: 14121.1, 0.00309554/step Wall: 14121.1, 0.00309554/step, 0.411707 hours remaining, 234.722656 MB of memory in use. ENERGY: 4521200 3949.4097 20676.5698 14486.0239 263.5878 -203245.0905 2457.7577 0.0000 0.0000 52025.8568 -109385.8848 298.9933 -161411.7416 -109027.6638 299.8953 -158.3134 -136.1625 762877.7729 4.9919 4.9263 PRESSURE: 4521400 -3.8577 128.476 -48.652 128.476 -0.851775 94.8546 -48.6531 94.8558 25.285 GPRESSURE: 4521400 65.4524 89.2986 -68.1712 114.633 50.5456 63.8793 -31.7439 67.5973 -9.24906 PRESSAVG: 4521400 99.7582 -18.1995 2.66368 -18.1995 -90.0402 -31.159 2.66368 -31.159 24.8231 GPRESSAVG: 4521400 100.145 -20.5024 3.40303 -16.9592 -89.2756 -29.0397 1.00295 -30.5797 23.6757 TIMING: 4521400 CPU: 14121.7, 0.00309519/step Wall: 14121.7, 0.00309519/step, 0.411488 hours remaining, 234.722656 MB of memory in use. ENERGY: 4521400 4095.1496 20593.5468 14429.4095 245.0083 -203340.5248 2685.9140 0.0000 0.0000 52078.5141 -109212.9825 299.2959 -161291.4965 -108860.1655 299.1404 6.8585 35.5830 761841.2211 11.5137 11.5151 PRESSURE: 4521600 -126.965 -203.555 275.757 -203.555 -292.793 -272.23 275.756 -272.231 98.2159 GPRESSURE: 4521600 9.13879 -129.684 255.664 -71.1552 -326.066 -246.471 192.632 -61.3828 91.7232 PRESSAVG: 4521600 18.8098 -42.8513 20.2912 -42.8513 -23.3065 -23.7409 20.2912 -23.7409 -16.7591 GPRESSAVG: 4521600 17.6136 -40.3486 20.7785 -44.6872 -24.3111 -24.7676 19.6126 -24.3593 -14.3599 TIMING: 4521600 CPU: 14122.3, 0.00309236/step Wall: 14122.3, 0.00309236/step, 0.41094 hours remaining, 234.722656 MB of memory in use. ENERGY: 4521600 3985.7200 20495.1187 14439.5007 249.5549 -202793.8272 2414.4964 0.0000 0.0000 51940.3747 -109269.0619 298.5020 -161209.4365 -108915.7669 299.4350 -107.1806 -75.0682 764147.9611 -7.0853 -7.0191 PRESSURE: 4521800 -109.228 236.418 -22.9131 236.419 3.28014 -248.697 -22.9133 -248.697 83.9276 GPRESSURE: 4521800 -45.4216 191.158 -68.6484 139.401 -6.73183 -258.258 -62.6039 -226.403 111.402 PRESSAVG: 4521800 25.1306 -3.48745 17.5988 -3.48739 -43.5988 -45.8196 17.5987 -45.8196 26.5488 GPRESSAVG: 4521800 26.4674 -4.57313 17.5316 -1.59481 -44.408 -45.2887 18.014 -44.3439 25.767 TIMING: 4521800 CPU: 14122.9, 0.00309136/step Wall: 14122.9, 0.00309136/step, 0.410636 hours remaining, 234.722656 MB of memory in use. ENERGY: 4521800 4062.7663 20432.9828 14507.8591 241.6111 -203269.3600 2641.4974 0.0000 0.0000 52018.1226 -109364.5208 298.9489 -161382.6434 -109012.9635 299.1854 -7.3400 19.7495 762888.1815 2.6935 2.6088 PRESSURE: 4522000 -66.3789 -161.749 83.0343 -161.748 16.065 -177.647 83.0343 -177.646 87.1102 GPRESSURE: 4522000 -24.908 -153.82 66.0468 -209.062 34.3133 -135.315 42.0128 -100.006 114.586 PRESSAVG: 4522000 -5.0455 -21.5945 5.96585 -21.5944 -3.45281 -34.2574 5.9658 -34.2575 -18.066 GPRESSAVG: 4522000 -5.16074 -21.4707 5.59958 -24.103 -2.51847 -35.2363 8.28213 -33.886 -18.4291 TIMING: 4522000 CPU: 14123.5, 0.00309025/step Wall: 14123.5, 0.00309025/step, 0.410317 hours remaining, 234.722656 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: 4522000 4013.0839 20353.9072 14489.4582 239.0502 -202911.0466 2464.3182 0.0000 0.0000 51912.2360 -109438.9929 298.3403 -161351.2290 -109076.1713 299.3398 12.2655 41.3306 761800.6355 -8.8548 -8.7028 PRESSURE: 4522200 162.917 -25.0517 -48.2383 -25.0512 100.552 -60.0763 -48.2383 -60.0764 -358.511 GPRESSURE: 4522200 122.544 34.516 4.21037 66.4326 71.0486 -68.5412 -0.570366 -94.6092 -219.254 PRESSAVG: 4522200 -12.5876 -4.99485 26.2147 -4.99486 9.17361 -18.1046 26.2148 -18.1046 0.972017 GPRESSAVG: 4522200 -12.5813 -6.30402 24.4477 -2.09478 8.65586 -18.5982 26.5941 -17.5304 2.02458 TIMING: 4522200 CPU: 14124.1, 0.0030843/step Wall: 14124.1, 0.0030843/step, 0.409355 hours remaining, 234.789062 MB of memory in use. ENERGY: 4522200 3998.3529 20612.9801 14513.3606 246.7834 -203750.4214 2827.7214 0.0000 0.0000 51959.0234 -109592.1996 298.6092 -161551.2229 -109234.5078 299.3398 -31.6806 -8.5537 762011.6212 -0.8140 -0.6336 PRESSURE: 4522400 125.149 251.839 53.9797 251.839 -380.019 109.338 53.9794 109.337 -569.859 GPRESSURE: 4522400 144.267 254.494 5.47083 325.516 -289.808 146.455 4.96389 123.483 -593.265 PRESSAVG: 4522400 34.7078 -18.0933 -59.1215 -18.0932 -50.4171 -31.0956 -59.1215 -31.0955 -5.55281 GPRESSAVG: 4522400 35.5587 -15.4005 -57.6328 -18.5799 -50.2851 -31.4129 -61.5011 -31.5537 -5.99821 TIMING: 4522400 CPU: 14124.8, 0.00308556/step Wall: 14124.8, 0.00308556/step, 0.409351 hours remaining, 234.789062 MB of memory in use. ENERGY: 4522400 4038.4916 20398.5019 14436.1398 260.7036 -203175.1505 2367.5686 0.0000 0.0000 52120.3286 -109553.4164 299.5362 -161673.7449 -109194.2149 298.8509 -274.9094 -246.2687 761974.2805 -7.0874 -6.9082 PRESSURE: 4522600 -198.588 47.8089 -217.158 47.809 156.863 -153.207 -217.158 -153.207 74.0258 GPRESSURE: 4522600 4.53093 62.2607 -184.534 165.304 25.4109 -136.833 -290.595 -134.582 108.352 PRESSAVG: 4522600 -2.09103 15.5827 42.7863 15.5827 23.6334 -36.7939 42.7863 -36.7938 1.70751 GPRESSAVG: 4522600 -1.54915 15.819 41.3836 14.167 22.9446 -35.9594 44.5688 -37.8874 2.89694 TIMING: 4522600 CPU: 14125.4, 0.00308732/step Wall: 14125.4, 0.00308732/step, 0.409413 hours remaining, 234.789062 MB of memory in use. ENERGY: 4522600 3965.6843 20538.5339 14493.3797 275.2017 -203213.4378 2603.3351 0.0000 0.0000 51874.3537 -109462.9493 298.1226 -161337.3030 -109105.3945 299.0989 10.7669 46.0980 761568.2910 7.7500 8.0975 PRESSURE: 4522800 -302.922 201.205 -72.4725 201.205 -559.764 60.8235 -72.4722 60.8233 -563.848 GPRESSURE: 4522800 -292.329 126.297 1.78312 124.731 -514.295 15.5917 -220.408 113.737 -541.42 PRESSAVG: 4522800 9.01724 61.3761 -81.2532 61.3761 12.0907 -38.2213 -81.2533 -38.2212 -0.728179 GPRESSAVG: 4522800 9.40301 58.1146 -81.0299 62.0525 12.5764 -39.1101 -82.6693 -35.772 -2.54131 TIMING: 4522800 CPU: 14126, 0.00309339/step Wall: 14126, 0.00309339/step, 0.410046 hours remaining, 234.789062 MB of memory in use. ENERGY: 4522800 4092.0832 20566.3573 14474.8098 249.1144 -203061.0689 2276.9728 0.0000 0.0000 52031.7304 -109370.0009 299.0271 -161401.7313 -109015.0943 299.6483 -475.5114 -449.3480 760742.4002 6.7933 6.4794 PRESSURE: 4523000 270.219 -297.312 -22.6963 -297.313 256.315 176.166 -22.6969 176.165 131.456 GPRESSURE: 4523000 300.949 -215.036 11.385 -209.734 245.62 263.581 -48.3804 77.0357 199.248 PRESSAVG: 4523000 62.8023 -7.05324 -64.1575 -7.05322 -69.6341 14.6926 -64.1574 14.6926 6.21287 GPRESSAVG: 4523000 61.6323 -5.14918 -62.4306 -7.8735 -68.7273 15.7166 -63.4188 12.314 6.60688 TIMING: 4523000 CPU: 14126.6, 0.00308945/step Wall: 14126.6, 0.00308945/step, 0.409352 hours remaining, 234.789062 MB of memory in use. ENERGY: 4523000 3955.3958 20463.1054 14439.6044 230.8539 -202949.5918 2528.4499 0.0000 0.0000 51965.8722 -109366.3104 298.6486 -161332.1825 -109003.2395 299.0187 219.3299 248.6056 761385.3669 -0.2063 -0.1627 PRESSURE: 4523200 -246.836 244.025 -98.4124 244.026 -111.294 -143.535 -98.4129 -143.535 -140.341 GPRESSURE: 4523200 -144.188 223.283 -44.512 251.63 -111.024 -262.081 -104.524 -116.049 -133.664 PRESSAVG: 4523200 43.9352 13.8841 5.39186 13.8841 -76.421 21.0885 5.39183 21.0885 7.40702 GPRESSAVG: 4523200 43.4904 11.7384 5.64566 16.0192 -77.4146 20.3786 5.77833 20.5782 8.80569 TIMING: 4523200 CPU: 14127.2, 0.003081/step Wall: 14127.2, 0.003081/step, 0.408061 hours remaining, 234.789062 MB of memory in use. ENERGY: 4523200 3986.9926 20523.2418 14438.4474 249.4676 -203233.3764 2626.5572 0.0000 0.0000 52172.7775 -109235.8922 299.8377 -161408.6697 -108871.9437 299.5350 -166.1570 -129.6253 761935.8066 -8.3596 -8.3728 PRESSURE: 4523400 288.647 88.1085 233.03 88.1088 165.164 83.2204 233.029 83.2203 -54.1736 GPRESSURE: 4523400 287.753 70.375 167.661 -74.678 222.726 21.6935 214.562 115.204 -32.8149 PRESSAVG: 4523400 14.1454 -8.53891 -5.85404 -8.53892 -73.3019 -32.4123 -5.85405 -32.4124 -3.72449 GPRESSAVG: 4523400 15.8303 -7.63903 -7.09087 -10.7671 -73.1917 -32.037 -6.49635 -32.0139 -5.13362 TIMING: 4523400 CPU: 14127.9, 0.00308733/step Wall: 14127.9, 0.00308733/step, 0.408729 hours remaining, 234.789062 MB of memory in use. ENERGY: 4523400 3989.0564 20548.4801 14472.8294 232.9783 -203615.8371 2915.1000 0.0000 0.0000 52187.4154 -109269.9776 299.9218 -161457.3930 -108912.8430 299.6890 133.2123 159.2213 761007.9798 -20.9603 -20.8317 PRESSURE: 4523600 350.297 -260.821 -7.35518 -260.823 254.244 -156.071 -7.35551 -156.071 163.816 GPRESSURE: 4523600 357.755 -205.63 13.7051 -217.355 315.84 -78.7463 14.3247 -193.035 184.07 PRESSAVG: 4523600 81.6327 40.472 32.3919 40.472 -53.4541 -19.4431 32.3919 -19.443 5.51884 GPRESSAVG: 4523600 82.5113 41.31 33.2278 41.3145 -52.8664 -18.7195 32.4623 -19.8609 5.04589 TIMING: 4523600 CPU: 14128.5, 0.003079/step Wall: 14128.5, 0.003079/step, 0.407454 hours remaining, 234.789062 MB of memory in use. ENERGY: 4523600 4029.8833 20451.2513 14388.2379 264.8250 -203385.3615 2632.9806 0.0000 0.0000 52091.2097 -109526.9738 299.3689 -161618.1834 -109171.0474 299.3687 256.1191 285.8885 760494.8029 11.2325 11.5636 PRESSURE: 4523800 -21.378 86.4296 249.749 86.4289 285.127 45.0148 249.749 45.0148 165.911 GPRESSURE: 4523800 20.2943 36.1294 271.078 68.3476 415.817 11.3552 152.921 -33.7078 75.9677 PRESSAVG: 4523800 -35.7868 10.2965 54.432 10.2965 34.6643 -42.3122 54.4321 -42.3122 1.45467 GPRESSAVG: 4523800 -37.6898 10.8769 54.1654 10.8334 35.8642 -43.3839 53.5915 -40.0274 1.39987 TIMING: 4523800 CPU: 14129.1, 0.003096/step Wall: 14129.1, 0.00309601/step, 0.409533 hours remaining, 234.789062 MB of memory in use. ENERGY: 4523800 3998.6839 20488.8967 14341.0285 268.9284 -203455.1058 3049.9535 0.0000 0.0000 51811.7662 -109495.8485 297.7629 -161307.6147 -109148.7923 298.8267 143.2198 170.6931 762583.4293 0.1107 -0.1419 PRESSURE: 4524000 348.188 -18.1769 159.661 -18.1777 -19.0421 44.3474 159.66 44.3481 275.112 GPRESSURE: 4524000 301.296 41.0396 143.133 -52.8594 94.9581 65.39 98.9687 -19.0529 269.063 PRESSAVG: 4524000 -63.0393 -21.8768 -19.0672 -21.8768 44.65 -59.8898 -19.0672 -59.8898 9.21952 GPRESSAVG: 4524000 -62.4165 -22.503 -19.8488 -21.7519 44.3567 -60.5588 -17.8452 -61.1556 8.76699 TIMING: 4524000 CPU: 14129.7, 0.00307178/step Wall: 14129.7, 0.00307178/step, 0.406158 hours remaining, 234.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4524000 4017.4420 20555.1220 14417.8099 231.1076 -203477.6132 2696.8266 0.0000 0.0000 52120.5041 -109438.8010 299.5373 -161559.3051 -109069.9329 299.1875 201.4191 221.7724 761287.8834 -3.0566 -3.0976 PRESSURE: 4524200 -428.013 -0.362606 91.6272 -0.362641 -316.444 -19.5179 91.6274 -19.518 -122.877 GPRESSURE: 4524200 -394.094 -5.58123 15.6116 -14.2143 -239.239 -2.26242 109.232 81.372 -145.878 PRESSAVG: 4524200 -38.2612 -12.3922 -4.07448 -12.3922 22.2496 4.61012 -4.0744 4.6101 -25.7158 GPRESSAVG: 4524200 -37.8473 -13.2808 -5.77617 -11.4783 21.8534 4.76791 -4.67578 5.02555 -26.0765 TIMING: 4524200 CPU: 14130.3, 0.00308191/step Wall: 14130.3, 0.00308191/step, 0.407325 hours remaining, 234.789062 MB of memory in use. ENERGY: 4524200 4007.9799 20621.6448 14415.0492 260.2534 -203443.5728 2723.4433 0.0000 0.0000 52022.4927 -109392.7096 298.9740 -161415.2023 -109024.2174 299.3561 -289.1111 -259.7370 764262.4166 -13.9091 -14.0235 LDB: ============= START OF LOAD BALANCING ============== 14142.8 LDB: ============== END OF LOAD BALANCING =============== 14142.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14142.8 LDB: ============= START OF LOAD BALANCING ============== 14143.1 LDB: Largest compute 7028 load 0.033411 is 17.1% of average load 0.195239 LDB: Average compute 0.004385 is 2.2% of average load 0.195239 LDB: TIME 14143.1 LOAD: AVG 0.195239 MAX 0.214701 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.262 MB LDB: TIME 14143.1 LOAD: AVG 0.195239 MAX 0.214701 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.262 MB LDB: TIME 14143.1 LOAD: AVG 0.195239 MAX 0.214701 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.262 MB LDB: ============== END OF LOAD BALANCING =============== 14143.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14143.1 PRESSURE: 4524400 6.81468 -188.392 51.4216 -188.392 29.7566 40.8258 51.4212 40.8266 183.602 GPRESSURE: 4524400 28.4302 -102.263 -8.67523 -223.422 96.2387 28.7592 63.1295 43.5741 211.365 PRESSAVG: 4524400 -35.1762 -66.6105 25.8541 -66.6105 37.7945 -6.63142 25.8542 -6.63133 5.5935 GPRESSAVG: 4524400 -35.2163 -63.4325 27.9157 -69.8692 37.4424 -5.58108 25.8472 -6.68291 6.03325 TIMING: 4524400 CPU: 14131, 0.00316421/step Wall: 14131, 0.00316421/step, 0.418028 hours remaining, 233.683594 MB of memory in use. ENERGY: 4524400 3999.7587 20592.6945 14334.3690 261.8470 -203745.6742 2954.9336 0.0000 0.0000 52158.3141 -109443.7573 299.7545 -161602.0714 -109083.1734 299.5421 73.3911 112.0112 761973.8804 2.7373 2.7531 PRESSURE: 4524600 164.906 -209.513 192.522 -209.514 319.782 23.5916 192.521 23.5901 308.063 GPRESSURE: 4524600 254.987 -210.969 89.9687 -185.918 261.287 -133.379 143.893 36.3724 383.548 PRESSAVG: 4524600 -13.0607 -35.6942 9.06869 -35.6943 61.7041 -40.5499 9.06873 -40.5498 24.3141 GPRESSAVG: 4524600 -13.253 -38.7997 8.33094 -33.2303 61.0697 -40.3436 9.58034 -41.6578 25.397 TIMING: 4524600 CPU: 14131.6, 0.00310476/step Wall: 14131.6, 0.00310476/step, 0.41 hours remaining, 233.683594 MB of memory in use. ENERGY: 4524600 4002.4471 20612.9642 14421.2960 239.0476 -203637.2077 2919.6614 0.0000 0.0000 52080.3344 -109361.4569 299.3064 -161441.7913 -109009.9627 299.1855 264.2501 299.9409 763036.2137 24.3192 24.4046 PRESSURE: 4524800 269.46 -46.7592 -103.626 -46.7595 247.857 183.074 -103.626 183.074 -152.65 GPRESSURE: 4524800 236.088 -57.0625 -171.564 -111.038 296.002 188.897 3.61432 284.664 -78.7204 PRESSAVG: 4524800 -4.68035 -10.8612 25.9644 -10.8611 28.2623 8.50142 25.9643 8.50151 -15.3056 GPRESSAVG: 4524800 -4.84416 -10.1405 25.4659 -10.9455 28.6256 5.36884 25.3771 10.3941 -15.7103 TIMING: 4524800 CPU: 14132.2, 0.00309309/step Wall: 14132.2, 0.00309309/step, 0.408288 hours remaining, 233.683594 MB of memory in use. ENERGY: 4524800 4063.6040 20522.5033 14422.5481 236.8592 -203433.2293 2853.6132 0.0000 0.0000 52084.2060 -109249.8956 299.3286 -161334.1016 -108888.1103 299.2724 121.5556 151.1229 762960.0961 2.7588 2.6904 PRESSURE: 4525000 -57.5147 -96.9112 -259.854 -96.9118 229.466 -221.88 -259.854 -221.879 -170.502 GPRESSURE: 4525000 23.6867 -93.2741 -229.341 -115.474 282.275 -229.39 -155.557 -263.237 -199.266 PRESSAVG: 4525000 -43.951 -27.577 -16.9288 -27.577 13.6844 1.30526 -16.9288 1.30529 -4.87574 GPRESSAVG: 4525000 -43.7897 -26.2448 -14.0954 -27.8011 13.9923 2.80564 -17.6449 3.15442 -5.20635 TIMING: 4525000 CPU: 14132.8, 0.00309823/step Wall: 14132.8, 0.00309823/step, 0.408794 hours remaining, 233.742188 MB of memory in use. ENERGY: 4525000 3966.5760 20557.8314 14398.4055 234.9856 -203712.1503 3165.5207 0.0000 0.0000 52059.7604 -109329.0707 299.1882 -161388.8312 -108974.0984 299.3252 0.4831 35.5650 764280.8721 -11.7141 -11.6679 PRESSURE: 4525200 19.6344 72.5254 -103.7 72.5256 -153.165 -183.039 -103.701 -183.04 -19.8942 GPRESSURE: 4525200 136.733 115.189 -81.4163 -9.20858 -179.173 -114.58 -90.5858 -163.734 -32.2868 PRESSAVG: 4525200 10.5411 -32.1334 0.493763 -32.1334 -3.59147 -78.2385 0.493798 -78.2385 8.25767 GPRESSAVG: 4525200 10.8257 -32.2601 -0.185254 -33.0747 -3.9683 -78.0427 2.43165 -79.8519 8.87609 TIMING: 4525200 CPU: 14133.4, 0.00309448/step Wall: 14133.4, 0.00309448/step, 0.408128 hours remaining, 234.078125 MB of memory in use. ENERGY: 4525200 4025.0009 20412.1163 14395.6929 268.4481 -203320.8028 2533.6602 0.0000 0.0000 52206.4504 -109479.4341 300.0312 -161685.8845 -109117.6513 299.6104 -51.1416 -24.9090 761561.9963 5.0691 5.2445 PRESSURE: 4525400 -131.299 233.325 -22.6125 233.325 148.143 4.25337 -22.6133 4.25416 62.8118 GPRESSURE: 4525400 -96.448 119.355 -26.0147 58.4547 179.184 -2.4638 -4.18147 155.233 60.9374 PRESSAVG: 4525400 29.6707 -24.9529 9.2963 -24.953 -38.7724 -7.36257 9.29635 -7.36263 -6.15049 GPRESSAVG: 4525400 29.6288 -26.4784 9.27274 -25.2335 -38.1143 -7.33975 9.62648 -8.77909 -6.42071 TIMING: 4525400 CPU: 14134.1, 0.00309483/step Wall: 14134.1, 0.00309483/step, 0.408002 hours remaining, 234.078125 MB of memory in use. ENERGY: 4525400 3937.3522 20260.5249 14428.0005 250.9436 -203312.6415 2633.5958 0.0000 0.0000 52241.9890 -109560.2356 300.2354 -161802.2246 -109191.5024 299.3311 26.5521 47.8912 762346.4038 -5.0841 -4.9687 PRESSURE: 4525600 -9.28366 149.11 236.573 149.111 -66.9715 47.6083 236.572 47.6089 86.4973 GPRESSURE: 4525600 168.982 9.28449 143.054 168.197 -97.4275 -82.6985 85.1926 -6.8734 52.5682 PRESSAVG: 4525600 -1.28338 18.0661 46.8027 18.0661 -29.2934 6.06045 46.8026 6.0605 4.85754 GPRESSAVG: 4525600 -0.504825 18.7009 46.04 17.9818 -30.3468 6.43732 45.3455 5.46051 4.83873 TIMING: 4525600 CPU: 14134.7, 0.00308603/step Wall: 14134.7, 0.00308603/step, 0.406671 hours remaining, 234.078125 MB of memory in use. ENERGY: 4525600 4013.0341 20396.8329 14362.1211 259.3044 -203223.4045 2714.6138 0.0000 0.0000 52185.2886 -109292.2096 299.9096 -161477.4982 -108935.8970 299.0422 3.4141 41.3741 762015.3291 -8.5731 -8.6710 PRESSURE: 4525800 124.922 70.969 73.9576 70.9699 376.165 -15.636 73.9581 -15.6358 294.816 GPRESSURE: 4525800 127.353 6.70552 51.6692 143.942 422.83 56.0312 23.5927 38.9915 328.758 PRESSAVG: 4525800 -66.5496 -18.7522 -15.9236 -18.7522 24.4658 -23.0747 -15.9236 -23.0747 8.16303 GPRESSAVG: 4525800 -66.8149 -17.5608 -14.012 -18.7679 25.2505 -22.3941 -17.8893 -23.0507 7.11089 TIMING: 4525800 CPU: 14135.3, 0.00307991/step Wall: 14135.3, 0.00307991/step, 0.405692 hours remaining, 234.078125 MB of memory in use. ENERGY: 4525800 3948.8189 20428.6544 14412.0308 251.2383 -203411.4851 2786.8129 0.0000 0.0000 52216.0001 -109367.9299 300.0861 -161583.9299 -109014.5293 299.2293 265.3007 292.9804 761395.0653 -11.3069 -11.4845 PRESSURE: 4526000 -125.562 94.4726 -48.2623 94.4717 -206.662 52.0819 -48.262 52.083 62.4569 GPRESSURE: 4526000 -65.278 184.697 -76.1069 5.20793 -138.325 -13.4466 77.47 38.2425 33.1049 PRESSAVG: 4526000 -33.95 -20.731 -3.86155 -20.731 74.5986 36.6151 -3.86157 36.6152 8.26455 GPRESSAVG: 4526000 -34.7306 -22.3797 -4.07901 -17.6088 75.742 34.9459 -0.967518 39.6769 8.55208 TIMING: 4526000 CPU: 14135.9, 0.00309269/step Wall: 14135.9, 0.00309269/step, 0.407204 hours remaining, 234.078125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4526000 3936.5929 20435.9107 14422.7819 268.5370 -203545.8937 2928.5935 0.0000 0.0000 52072.0331 -109481.4447 299.2587 -161553.4777 -109110.6593 299.2802 -89.9224 -56.8325 762915.6082 16.3044 16.5212 PRESSURE: 4526200 -209.072 -57.0999 43.7496 -57.1008 17.8528 -62.6395 43.7499 -62.6399 -120.046 GPRESSURE: 4526200 -123.631 44.1704 71.3888 -111.464 25.1102 -59.9963 27.0747 -59.0579 -126.776 PRESSAVG: 4526200 24.4207 6.07259 -13.9829 6.07256 34.4054 55.8811 -13.9829 55.8811 -30.4287 GPRESSAVG: 4526200 25.3425 6.70486 -15.3696 5.46543 33.3283 58.1764 -15.1123 51.3951 -30.6858 TIMING: 4526200 CPU: 14136.5, 0.00307443/step Wall: 14136.5, 0.00307443/step, 0.404629 hours remaining, 234.078125 MB of memory in use. ENERGY: 4526200 3975.0863 20370.6409 14419.3396 257.4237 -203223.0699 2722.6844 0.0000 0.0000 52109.1138 -109368.7812 299.4718 -161477.8950 -108997.7618 299.3665 -103.7551 -75.0988 764634.7120 9.4658 9.3284 PRESSURE: 4526400 -91.1496 2.63866 -199.801 2.6386 61.374 39.9845 -199.801 39.9858 -34.2141 GPRESSURE: 4526400 -92.7475 -79.3889 -173.871 67.4603 106.774 -11.9844 -181.43 69.8926 8.78836 PRESSAVG: 4526400 -0.768503 -1.1273 42.8723 -1.12736 13.4302 -47.6216 42.8723 -47.6216 5.85025 GPRESSAVG: 4526400 -2.62538 -2.79957 44.0587 -0.550741 13.4148 -47.8719 43.1457 -45.1567 8.3728 TIMING: 4526400 CPU: 14137.1, 0.00308427/step Wall: 14137.1, 0.00308427/step, 0.405753 hours remaining, 234.078125 MB of memory in use. ENERGY: 4526400 4077.3429 20556.7868 14373.0049 257.2196 -202998.2312 2488.6650 0.0000 0.0000 51930.8346 -109314.3775 298.4472 -161245.2120 -108960.9061 299.0418 -21.3299 7.6048 763249.1335 6.1706 6.3874 PRESSURE: 4526600 211.276 -104.904 133.602 -104.904 88.1275 99.0549 133.601 99.0557 243.336 GPRESSURE: 4526600 311.22 -214.937 146.029 -131.838 80.6336 89.5385 55.7336 89.6495 226.208 PRESSAVG: 4526600 -20.8148 -33.746 32.3623 -33.746 0.54912 38.3593 32.3623 38.3593 6.00083 GPRESSAVG: 4526600 -20.8164 -32.4663 31.7492 -33.9446 1.61064 37.0062 34.0874 39.1943 4.37953 TIMING: 4526600 CPU: 14137.8, 0.00308706/step Wall: 14137.8, 0.00308706/step, 0.405949 hours remaining, 234.078125 MB of memory in use. ENERGY: 4526600 3976.0080 20505.9978 14410.9794 248.4981 -203142.9557 2942.1697 0.0000 0.0000 51974.4882 -109084.8145 298.6981 -161059.3027 -108718.5143 298.9852 180.9132 206.0205 761175.0558 -4.7549 -4.9421 PRESSURE: 4526800 -199.426 -95.0877 -101.431 -95.0872 -101.288 -94.0384 -101.431 -94.0379 -137.096 GPRESSURE: 4526800 -109.979 -250.88 -74.1401 -139.533 -125.546 -51.592 -151.13 -108.368 -118.71 PRESSAVG: 4526800 -25.6197 -30.598 40.4471 -30.5979 38.1526 3.90794 40.4471 3.90792 19.2019 GPRESSAVG: 4526800 -24.1952 -29.7721 40.4291 -31.3717 36.7248 3.67921 39.6721 2.57335 19.1925 TIMING: 4526800 CPU: 14138.4, 0.00309818/step Wall: 14138.4, 0.00309818/step, 0.407238 hours remaining, 234.078125 MB of memory in use. ENERGY: 4526800 4050.2727 20576.3475 14420.6778 232.9618 -203128.5645 2635.4293 0.0000 0.0000 52261.9185 -108950.9570 300.3500 -161212.8754 -108596.9253 299.9512 -145.9366 -118.0784 763016.7183 10.5783 10.5740 PRESSURE: 4527000 -134.714 -163.522 -20.8354 -163.521 77.2 163.501 -20.8362 163.501 -287.768 GPRESSURE: 4527000 -58.7735 16.4542 -60.8929 -64.7412 124.409 179.01 -1.57347 112.355 -310.89 PRESSAVG: 4527000 -50.0482 -35.5949 -21.7431 -35.5949 44.3051 12.3074 -21.7432 12.3074 -8.73433 GPRESSAVG: 4527000 -49.2567 -35.1982 -21.8678 -35.0541 44.6225 13.4931 -22.9916 12.8166 -9.2995 TIMING: 4527000 CPU: 14139, 0.00309314/step Wall: 14139, 0.00309314/step, 0.406404 hours remaining, 234.078125 MB of memory in use. ENERGY: 4527000 3959.8337 20483.6910 14448.4465 256.4564 -203358.9946 2848.7362 0.0000 0.0000 52131.8060 -109230.0248 299.6022 -161361.8308 -108861.6762 299.3728 -115.0943 -81.7516 764462.6986 -4.8258 -4.6446 PRESSURE: 4527200 -32.2844 -66.0156 292.608 -66.0154 226.403 -33.5346 292.607 -33.5344 131.316 GPRESSURE: 4527200 57.0842 -31.8635 330.2 10.9397 124.463 -83.0034 198.248 60.6418 231.581 PRESSAVG: 4527200 -8.82496 -2.41771 64.4066 -2.41778 -7.78824 8.7942 64.4066 8.7943 6.63675 GPRESSAVG: 4527200 -8.76397 -2.61761 64.5285 -1.99523 -8.57228 9.75515 64.9763 8.22778 7.09722 TIMING: 4527200 CPU: 14139.6, 0.00309154/step Wall: 14139.6, 0.00309154/step, 0.406022 hours remaining, 234.078125 MB of memory in use. ENERGY: 4527200 4056.2420 20577.2285 14342.4450 253.7726 -203169.8138 2703.7668 0.0000 0.0000 52018.1931 -109218.1658 298.9493 -161236.3589 -108865.6396 299.5610 108.4782 137.7093 761969.7494 -3.3255 -3.4130 PRESSURE: 4527400 75.1203 141.669 69.8998 141.67 -202.222 -47.7305 69.8995 -47.7311 -189.217 GPRESSURE: 4527400 -11.3076 73.1755 3.72736 30.9013 -20.8082 42.7024 130.122 -28.9618 -192.197 PRESSAVG: 4527400 -41.8631 -15.1302 -4.29064 -15.1302 62.3834 4.15604 -4.29064 4.15607 8.91351 GPRESSAVG: 4527400 -42.456 -14.7057 -3.38786 -16.9688 62.744 3.87461 -4.82495 1.7181 9.60985 TIMING: 4527400 CPU: 14140.2, 0.00309071/step Wall: 14140.2, 0.00309071/step, 0.405741 hours remaining, 234.078125 MB of memory in use. ENERGY: 4527400 4007.0911 20535.6712 14391.1327 243.1859 -202924.4017 2574.9201 0.0000 0.0000 51818.3413 -109354.0593 297.8007 -161172.4006 -108994.4627 298.8217 -105.4395 -74.7710 763397.0431 9.8113 9.9660 PRESSURE: 4527600 -161.921 -23.9651 -117.687 -23.9657 9.22978 -130.043 -117.686 -130.044 -123.604 GPRESSURE: 4527600 -55.535 0.848664 -212.254 -58.4511 -22.7086 -153.489 75.8784 -67.779 -104.356 PRESSAVG: 4527600 -11.1433 -26.4877 24.0754 -26.4877 58.9971 30.8845 24.0754 30.8844 27.8086 GPRESSAVG: 4527600 -11.2884 -25.9549 22.9783 -26.0329 59.6385 31.5396 24.3861 32.4372 26.8515 TIMING: 4527600 CPU: 14140.8, 0.00309424/step Wall: 14140.8, 0.00309424/step, 0.406033 hours remaining, 234.078125 MB of memory in use. ENERGY: 4527600 4038.8050 20518.4805 14375.2026 238.0508 -203590.9281 2917.0401 0.0000 0.0000 52302.8255 -109200.5235 300.5851 -161503.3490 -108839.4680 299.4358 -92.0984 -60.8664 763626.1822 25.2208 25.0672 PRESSURE: 4527800 -145.232 -11.7703 97.7778 -11.7697 -368.351 -5.25639 97.7779 -5.2564 305.443 GPRESSURE: 4527800 -62.4363 -2.5622 157.893 37.6863 -321.877 70.5134 86.0892 -2.64966 258.484 PRESSAVG: 4527800 -13.4913 -24.9218 -14.8617 -24.9218 -11.1751 38.4619 -14.8617 38.462 -7.58686 GPRESSAVG: 4527800 -13.0435 -25.5008 -16.0175 -24.4986 -10.8071 36.8214 -14.8889 39.9212 -7.61679 TIMING: 4527800 CPU: 14141.5, 0.0031014/step Wall: 14141.5, 0.0031014/step, 0.4068 hours remaining, 234.078125 MB of memory in use. ENERGY: 4527800 3953.8816 20511.5279 14434.7481 238.4636 -203104.6056 2693.5705 0.0000 0.0000 51970.1714 -109302.2426 298.6733 -161272.4139 -108931.2361 299.2398 -69.3797 -41.9428 763782.3300 -10.7511 -10.4891 PRESSURE: 4528000 282.946 -83.0687 245.991 -83.069 -55.1477 173.807 245.991 173.808 -347.387 GPRESSURE: 4528000 204.838 -50.4056 293.652 -71.8135 30.4074 91.0337 126.846 245.569 -270.397 PRESSAVG: 4528000 -26.274 -11.6797 23.1052 -11.6796 91.7862 10.0248 23.1052 10.0248 3.55697 GPRESSAVG: 4528000 -25.6216 -11.8757 24.7563 -12.1172 91.043 10.4763 21.2635 9.25152 3.09696 TIMING: 4528000 CPU: 14142.1, 0.00310584/step Wall: 14142.1, 0.00310584/step, 0.40721 hours remaining, 234.078125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4528000 3969.8524 20488.0714 14407.6669 240.5151 -203282.9145 2530.3659 0.0000 0.0000 52289.1581 -109357.2846 300.5065 -161646.4427 -108992.1652 299.2387 -39.8631 -11.7173 761949.0229 23.0231 22.8394 PRESSURE: 4528200 -42.8425 52.621 59.1505 52.6212 -151.392 20.0757 59.15 20.076 -87.0576 GPRESSURE: 4528200 84.0903 85.6732 92.8885 53.5873 -174.532 -49.5987 91.9681 9.84099 -114.175 PRESSAVG: 4528200 -30.2271 -15.78 -12.2774 -15.7799 -24.8625 -47.4975 -12.2774 -47.4974 -13.9717 GPRESSAVG: 4528200 -31.6403 -16.7688 -11.4943 -13.787 -24.3047 -47.7711 -10.2626 -47.8817 -13.2081 TIMING: 4528200 CPU: 14142.7, 0.00309529/step Wall: 14142.7, 0.00309529/step, 0.405654 hours remaining, 234.078125 MB of memory in use. ENERGY: 4528200 3928.1177 20578.0080 14424.6032 266.3090 -202944.5281 2659.0338 0.0000 0.0000 51749.4050 -109339.0513 297.4045 -161088.4563 -108986.3330 299.5270 -93.7641 -68.2055 762723.6586 -23.0204 -23.0510 LDB: ============= START OF LOAD BALANCING ============== 14155.2 LDB: ============== END OF LOAD BALANCING =============== 14155.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14155.2 LDB: ============= START OF LOAD BALANCING ============== 14155.5 LDB: Largest compute 7026 load 0.032048 is 16.4% of average load 0.195328 LDB: Average compute 0.004391 is 2.2% of average load 0.195328 LDB: TIME 14155.5 LOAD: AVG 0.195328 MAX 0.221285 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.75 MB LDB: TIME 14155.5 LOAD: AVG 0.195328 MAX 0.221285 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.75 MB LDB: TIME 14155.5 LOAD: AVG 0.195328 MAX 0.216809 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.75 MB LDB: ============== END OF LOAD BALANCING =============== 14155.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14155.5 PRESSURE: 4528400 289.203 287.506 -64.6656 287.506 -30.1239 -90.8432 -64.6657 -90.8427 313.275 GPRESSURE: 4528400 285.058 210.097 -71.9714 169.987 7.54373 -133.56 -123.427 -143.728 347.678 PRESSAVG: 4528400 4.92882 -29.3139 -28.9331 -29.3139 49.8536 -63.2276 -28.9331 -63.2277 -11.0337 GPRESSAVG: 4528400 4.15291 -27.8154 -30.5714 -33.0918 50.0928 -62.2431 -29.3098 -64.9865 -10.4887 TIMING: 4528400 CPU: 14143.3, 0.00317165/step Wall: 14143.3, 0.00317165/step, 0.415486 hours remaining, 234.570312 MB of memory in use. ENERGY: 4528400 4024.6457 20397.9571 14505.4511 236.5400 -203396.7828 2966.9538 0.0000 0.0000 52136.3847 -109128.8503 299.6285 -161265.2351 -108761.2737 299.6600 190.7850 213.4264 761381.4966 14.5829 14.5857 PRESSURE: 4528600 -583.323 30.7438 170.581 30.7448 -124.767 -51.5841 170.58 -51.5839 -69.2416 GPRESSURE: 4528600 -437.978 -11.7344 153.88 33.1879 -203.262 -22.9316 97.2785 -52.7584 -58.7535 PRESSAVG: 4528600 -3.08986 -12.687 30.8605 -12.6869 4.81064 20.4344 30.8604 20.4343 26.6211 GPRESSAVG: 4528600 -2.74274 -15.0178 30.6072 -10.0832 3.83857 19.4874 30.4494 22.1079 27.2655 TIMING: 4528600 CPU: 14144, 0.00310465/step Wall: 14144, 0.00310465/step, 0.406537 hours remaining, 234.972656 MB of memory in use. ENERGY: 4528600 3962.6013 20557.2337 14452.4522 241.0083 -203253.4006 2803.4917 0.0000 0.0000 52083.5679 -109153.0455 299.3250 -161236.6134 -108796.9800 299.6446 -259.1107 -233.3313 764608.9620 9.4473 9.4538 PRESSURE: 4528800 -318.218 -15.4918 133.433 -15.4913 -482.654 -2.56289 133.433 -2.5623 -87.0076 GPRESSURE: 4528800 -179.633 -58.3712 203.744 5.08446 -468.003 91.0494 257.742 31.8858 -172.671 PRESSAVG: 4528800 4.72405 32.668 36.6459 32.668 -21.8569 -18.8012 36.6459 -18.8012 1.18065 GPRESSAVG: 4528800 4.74528 34.0951 36.9433 31.2685 -20.2355 -18.0685 36.8094 -19.6202 -0.169179 TIMING: 4528800 CPU: 14144.6, 0.00310172/step Wall: 14144.6, 0.00310172/step, 0.405981 hours remaining, 234.972656 MB of memory in use. ENERGY: 4528800 4012.1319 20371.0834 14372.5779 249.8744 -203014.0628 2474.2643 0.0000 0.0000 52284.0523 -109250.0786 300.4772 -161534.1309 -108882.5941 299.2041 -295.9599 -273.4357 764222.9798 -5.3174 -5.2198 PRESSURE: 4529000 -242.652 -115.545 -32.5335 -115.545 43.8067 -163.389 -32.5328 -163.389 -426.483 GPRESSURE: 4529000 -67.1409 39.8801 -12.8737 11.8001 -110.021 -123.041 -12.8528 -224.455 -376.851 PRESSAVG: 4529000 5.30979 -25.9874 -22.7158 -25.9874 -48.2308 -11.6133 -22.7158 -11.6133 1.00158 GPRESSAVG: 4529000 5.87821 -25.6055 -24.1557 -23.7917 -50.1841 -13.7428 -22.6317 -8.52814 2.52192 TIMING: 4529000 CPU: 14145.2, 0.00310627/step Wall: 14145.2, 0.00310627/step, 0.406404 hours remaining, 234.972656 MB of memory in use. ENERGY: 4529000 4035.3199 20485.2011 14383.4384 249.6119 -203167.0781 2678.5511 0.0000 0.0000 52162.0263 -109172.9295 299.7759 -161334.9558 -108815.0624 299.6273 -208.4428 -184.6710 764554.3447 -13.9731 -13.9280 PRESSURE: 4529200 177.55 18.954 51.0694 18.9541 418.343 -67.6539 51.0695 -67.6541 406.524 GPRESSURE: 4529200 297.677 -119.005 44.7868 -113.632 375.608 -68.937 -10.8415 -80.0799 415.393 PRESSAVG: 4529200 68.2251 -6.57021 27.3535 -6.57026 -86.3712 33.2976 27.3535 33.2976 -20.28 GPRESSAVG: 4529200 68.3339 -6.52366 28.0546 -6.86819 -85.6235 35.8779 26.7761 31.8282 -20.7086 TIMING: 4529200 CPU: 14145.8, 0.003088/step Wall: 14145.8, 0.003088/step, 0.403841 hours remaining, 234.972656 MB of memory in use. ENERGY: 4529200 3912.1597 20337.5027 14418.5829 260.6719 -203036.8195 2947.1203 0.0000 0.0000 51844.3320 -109316.4501 297.9501 -161160.7821 -108951.4762 299.3469 334.1388 362.8927 762832.5329 -12.8087 -12.6661 PRESSURE: 4529400 63.6221 -189.9 222.118 -189.899 -96.9827 -134.86 222.119 -134.86 138.574 GPRESSURE: 4529400 176.391 -55.829 171.466 -254.914 -112.154 -45.4505 221.471 -147.861 139.466 PRESSAVG: 4529400 19.4333 -51.4167 16.1649 -51.4167 -40.0535 1.62984 16.1648 1.62989 16.7226 GPRESSAVG: 4529400 19.5128 -51.0579 15.2606 -53.775 -40.0225 1.45848 16.9408 1.85091 17.1613 TIMING: 4529400 CPU: 14146.4, 0.00309507/step Wall: 14146.4, 0.00309507/step, 0.404595 hours remaining, 234.972656 MB of memory in use. ENERGY: 4529400 3956.5680 20495.8440 14427.3066 247.4369 -202966.7390 2490.9692 0.0000 0.0000 51977.4181 -109371.1963 298.7149 -161348.6144 -109002.9680 298.9047 35.0710 67.9009 762909.8380 -1.2992 -1.1161 PRESSURE: 4529600 118.578 123.811 -84.505 123.811 -576.839 -89.5661 -84.5049 -89.5666 -171.762 GPRESSURE: 4529600 54.6317 86.9693 -48.3925 147.24 -371.411 -161.673 -2.95378 37.7292 -213.603 PRESSAVG: 4529600 18.9359 -59.2589 19.405 -59.2589 -55.4081 24.7814 19.405 24.7814 -2.69891 GPRESSAVG: 4529600 19.6307 -60.3679 21.4151 -55.8827 -55.1417 25.6026 16.8236 24.0692 -3.68456 TIMING: 4529600 CPU: 14147.1, 0.00309668/step Wall: 14147.1, 0.00309668/step, 0.404633 hours remaining, 234.972656 MB of memory in use. ENERGY: 4529600 4002.7998 20508.7028 14388.8681 240.6056 -203171.9050 2644.5996 0.0000 0.0000 52002.0413 -109384.2878 298.8564 -161386.3291 -109024.6198 299.0588 -210.0079 -176.7941 762051.1026 -13.0570 -13.0652 PRESSURE: 4529800 342.784 283.99 -158.895 283.99 508.504 83.5014 -158.896 83.5027 111.854 GPRESSURE: 4529800 403.666 309.115 -115.529 261.394 428.288 84.726 -102.465 22.968 225.501 PRESSAVG: 4529800 12.7195 44.9463 28.326 44.9464 -26.1267 -14.9134 28.3259 -14.9135 6.62233 GPRESSAVG: 4529800 11.7696 46 27.5744 43.1909 -25.988 -14.4608 30.4264 -16.762 7.0173 TIMING: 4529800 CPU: 14147.7, 0.00308246/step Wall: 14147.7, 0.00308246/step, 0.402604 hours remaining, 234.972656 MB of memory in use. ENERGY: 4529800 4026.6082 20435.9086 14407.9286 260.1596 -203439.7126 2900.6292 0.0000 0.0000 52072.0164 -109336.4620 299.2586 -161408.4784 -108973.4413 299.6782 321.0473 352.4851 762323.6017 -2.2616 -2.4004 PRESSURE: 4530000 -310.344 -61.346 35.1718 -61.3454 -443.678 -171.054 35.172 -171.053 -8.19606 GPRESSURE: 4530000 -215.57 -19.7536 78.9966 -22.1036 -338.329 -166.714 -43.0978 -99.7927 -109.984 PRESSAVG: 4530000 -6.36567 50.6675 23.2282 50.6675 36.0229 6.77297 23.2282 6.77298 -28.6009 GPRESSAVG: 4530000 -5.60401 48.9028 22.5362 50.9542 35.31 6.30545 21.0833 5.97489 -28.7757 TIMING: 4530000 CPU: 14148.3, 0.00309396/step Wall: 14148.3, 0.00309396/step, 0.403934 hours remaining, 234.960938 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: 4530000 3994.9339 20484.4712 14392.7035 230.9300 -203341.6778 2642.4335 0.0000 0.0000 52183.3055 -109412.9003 299.8982 -161596.2058 -109056.3431 298.9735 -254.0726 -221.2942 761819.9997 0.3521 0.3101 PRESSURE: 4530200 -167.891 -139.804 134.687 -139.805 141.812 34.0201 134.687 34.0195 -262.246 GPRESSURE: 4530200 -105.804 -168.282 127.15 -185.416 166.555 -52.5564 108.061 56.7116 -258.516 PRESSAVG: 4530200 6.55862 -17.5417 -38.2985 -17.5416 44.2661 -27.1793 -38.2985 -27.1792 -24.7173 GPRESSAVG: 4530200 7.91912 -15.5317 -37.6974 -19.0508 43.6247 -29.1321 -37.2483 -22.6908 -25.0118 TIMING: 4530200 CPU: 14148.9, 0.0031004/step Wall: 14148.9, 0.0031004/step, 0.404603 hours remaining, 234.960938 MB of memory in use. ENERGY: 4530200 4004.7985 20644.9629 14433.0933 265.7762 -203397.5991 2611.8769 0.0000 0.0000 52131.3978 -109305.6934 299.5999 -161437.0913 -108929.8516 299.2901 -96.1083 -65.9215 759804.1154 8.7025 8.8440 PRESSURE: 4530400 56.1188 -231.352 289.509 -231.351 -74.21 238.929 289.51 238.929 323.449 GPRESSURE: 4530400 -6.70801 -124.809 299.721 -252.394 26.3473 167.258 213.469 266.136 345.058 PRESSAVG: 4530400 -14.0193 4.7227 -19.6738 4.72271 -0.468659 20.7206 -19.6738 20.7206 30.5204 GPRESSAVG: 4530400 -16.7911 3.42892 -19.1224 4.3126 0.717064 20.8195 -20.5161 20.5835 31.378 TIMING: 4530400 CPU: 14149.5, 0.00310471/step Wall: 14149.5, 0.00310471/step, 0.404992 hours remaining, 235.175781 MB of memory in use. ENERGY: 4530400 3977.0065 20504.0836 14435.2866 284.9609 -203434.8502 2587.1199 0.0000 0.0000 52142.8157 -109503.5770 299.6655 -161646.3927 -109130.1391 299.7228 101.7859 121.5656 762199.3594 5.3441 5.1013 PRESSURE: 4530600 96.7598 -101.562 -48.9462 -101.562 -41.253 -136.427 -48.9454 -136.427 -128.396 GPRESSURE: 4530600 60.8454 -119.904 21.8539 -20.6403 -9.37166 -102.028 10.4606 -167.577 -34.042 PRESSAVG: 4530600 -16.8001 -15.5186 -63.1463 -15.5185 -21.5427 -18.8238 -63.1463 -18.8238 0.903851 GPRESSAVG: 4530600 -15.6118 -13.1782 -64.7689 -15.7833 -22.1904 -17.2053 -60.6529 -20.6673 -0.0405183 TIMING: 4530600 CPU: 14150.2, 0.00310305/step Wall: 14150.2, 0.00310305/step, 0.404603 hours remaining, 235.175781 MB of memory in use. ENERGY: 4530600 4013.4239 20556.7609 14480.3127 249.1435 -203617.3854 2811.4069 0.0000 0.0000 51896.8409 -109609.4966 298.2519 -161506.3375 -109246.4975 298.9884 -24.2964 5.8106 762510.5638 -12.4796 -12.6142 PRESSURE: 4530800 113.097 -4.94179 16.1318 -4.94245 482.856 169.302 16.1316 169.3 -106.884 GPRESSURE: 4530800 187.747 -126.703 13.6506 -16.2692 533.484 155.714 104.129 126.306 -113.957 PRESSAVG: 4530800 -9.81869 -22.9966 4.5115 -22.9966 1.46166 -39.4298 4.5115 -39.4298 20.8904 GPRESSAVG: 4530800 -10.0061 -25.3798 6.11125 -20.7426 1.85793 -40.3281 2.88779 -38.5804 20.8253 TIMING: 4530800 CPU: 14150.8, 0.00311158/step Wall: 14150.8, 0.00311158/step, 0.405543 hours remaining, 235.175781 MB of memory in use. ENERGY: 4530800 4007.7341 20326.3673 14369.6669 238.1847 -203328.3991 2623.8116 0.0000 0.0000 52123.1133 -109639.5211 299.5522 -161762.6344 -109270.8117 298.9578 163.0232 202.4247 762278.0474 4.1778 4.2257 PRESSURE: 4531000 217.338 163.66 140.149 163.66 44.1207 74.4616 140.149 74.462 -168.44 GPRESSURE: 4531000 302.568 102.679 163.785 114.965 56.9203 83.8903 126.66 231.232 -179.646 PRESSAVG: 4531000 23.6032 -45.5025 15.7783 -45.5025 -19.8006 9.73363 15.7783 9.73357 0.868725 GPRESSAVG: 4531000 24.4389 -44.7379 15.4649 -46.308 -21.297 9.83218 16.3515 10.2033 1.48456 TIMING: 4531000 CPU: 14151.4, 0.0031041/step Wall: 14151.4, 0.0031041/step, 0.404395 hours remaining, 235.175781 MB of memory in use. ENERGY: 4531000 3987.6574 20564.5403 14420.1739 263.8257 -203894.5097 2966.0656 0.0000 0.0000 51834.7202 -109857.5266 297.8948 -161692.2468 -109487.4077 298.9383 31.0063 59.9474 761389.2840 1.5571 1.5422 PRESSURE: 4531200 -63.42 -59.048 -112.013 -59.0475 -257.961 150.122 -112.013 150.122 -142.278 GPRESSURE: 4531200 68.8892 -79.4588 -177.129 -50.6064 -231.662 125.805 -129.972 47.7125 -219.053 PRESSAVG: 4531200 -22.0252 -45.4616 -24.8082 -45.4616 20.1778 -43.6359 -24.8082 -43.636 6.97958 GPRESSAVG: 4531200 -21.7665 -45.7866 -25.8061 -44.1493 19.3281 -43.7475 -25.7458 -43.3169 7.12069 TIMING: 4531200 CPU: 14152, 0.00309754/step Wall: 14152, 0.00309754/step, 0.403369 hours remaining, 235.175781 MB of memory in use. ENERGY: 4531200 4047.3260 20445.0781 14434.6720 251.6870 -203548.4847 2432.1537 0.0000 0.0000 51937.4298 -110000.1380 298.4851 -161937.5679 -109628.4143 298.4309 -154.5533 -127.2752 761689.8008 1.7107 1.5608 PRESSURE: 4531400 -186.746 272.551 196.263 272.551 68.3616 -143.429 196.262 -143.428 -251.583 GPRESSURE: 4531400 -257.992 201.879 144.365 140.469 129.486 -106.346 210.306 -56.0188 -164.749 PRESSAVG: 4531400 -2.1765 -42.7169 42.9413 -42.7169 29.6923 -29.1065 42.9413 -29.1065 -16.0347 GPRESSAVG: 4531400 -3.63163 -43.7072 44.0681 -43.9894 30.9362 -27.3304 42.4484 -30.1096 -16.2856 TIMING: 4531400 CPU: 14152.6, 0.00308492/step Wall: 14152.6, 0.00308492/step, 0.401554 hours remaining, 235.175781 MB of memory in use. ENERGY: 4531400 3997.5190 20571.0435 14387.3203 227.4036 -203143.1729 2351.1166 0.0000 0.0000 51985.9800 -109622.7899 298.7641 -161608.7699 -109266.1673 299.0483 -123.3224 -97.7517 761191.3297 3.8270 3.6730 PRESSURE: 4531600 -196.92 80.7324 -52.3898 80.7317 -268.768 -69.1758 -52.3893 -69.1759 -1.02077 GPRESSURE: 4531600 -160.264 38.6525 -160.284 103.213 -235.413 -82.4082 -60.5328 112.691 15.5463 PRESSAVG: 4531600 19.5946 -46.1734 -89.9964 -46.1733 -6.47229 -15.2456 -89.9964 -15.2456 -15.3257 GPRESSAVG: 4531600 19.6954 -44.7733 -90.6583 -45.2931 -6.71278 -16.1776 -90.6507 -14.7273 -15.0663 TIMING: 4531600 CPU: 14153.3, 0.00311448/step Wall: 14153.3, 0.00311448/step, 0.405229 hours remaining, 235.175781 MB of memory in use. ENERGY: 4531600 4024.9604 20317.9824 14426.6623 257.6560 -203337.3137 2543.4349 0.0000 0.0000 51842.6110 -109924.0066 297.9402 -161766.6176 -109556.9254 298.7843 -155.5694 -126.7102 762558.5155 -0.7345 -0.6946 PRESSURE: 4531800 73.4531 7.94987 -196.485 7.9489 139.359 89.5027 -196.486 89.5016 522.964 GPRESSURE: 4531800 170.102 91.6413 -145.78 -42.7927 215.284 109.418 -268.835 -2.29825 440.446 PRESSAVG: 4531800 -12.8936 13.7272 4.67553 13.7272 -35.5911 -50.5546 4.67554 -50.5547 -10.9839 GPRESSAVG: 4531800 -13.1908 12.965 6.48396 12.4405 -36.2633 -51.1069 6.85533 -52.2346 -10.0833 TIMING: 4531800 CPU: 14153.9, 0.00311866/step Wall: 14153.9, 0.00311866/step, 0.405599 hours remaining, 235.175781 MB of memory in use. ENERGY: 4531800 3963.2249 20402.1365 14437.9212 208.3963 -204078.9634 2988.8148 0.0000 0.0000 52120.3848 -109958.0850 299.5366 -162078.4698 -109603.8935 298.0108 245.2587 275.2772 761139.5685 -19.8228 -19.8458 PRESSURE: 4532000 -332.296 -163.319 17.0176 -163.318 -333.388 106.563 17.0174 106.561 -431.274 GPRESSURE: 4532000 -260.8 -123.998 -6.71442 -105.916 -327.887 55.4636 72.968 141.488 -420.912 PRESSAVG: 4532000 54.9423 11.8684 -34.094 11.8684 -12.7376 -39.8347 -34.094 -39.8348 20.9477 GPRESSAVG: 4532000 56.8624 12.6045 -34.0294 12.2661 -12.5996 -39.7508 -34.9713 -38.7805 19.0162 TIMING: 4532000 CPU: 14154.5, 0.00310869/step Wall: 14154.5, 0.00310869/step, 0.40413 hours remaining, 235.175781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4532000 4000.7705 20388.1929 14401.0412 235.4470 -203415.9646 2315.5684 0.0000 0.0000 51991.3532 -110083.5915 298.7950 -162074.9446 -109725.1518 298.3257 -365.6529 -336.5330 761975.0361 21.0508 21.0930 PRESSURE: 4532200 -95.7224 94.9907 7.0288 94.9913 203.966 -155.76 7.0291 -155.76 -103.944 GPRESSURE: 4532200 96.5596 32.7788 -0.840632 136.695 166.023 -126.129 92.6719 -91.4853 -165.13 PRESSAVG: 4532200 -36.6663 -25.2951 30.7312 -25.2951 -2.03943 -9.33702 30.7312 -9.33696 12.0356 GPRESSAVG: 4532200 -37.4404 -24.8491 31.1543 -24.964 -1.55938 -8.41269 31.1153 -7.46847 12.3418 TIMING: 4532200 CPU: 14155.1, 0.00312464/step Wall: 14155.1, 0.00312464/step, 0.40603 hours remaining, 235.175781 MB of memory in use. ENERGY: 4532200 3949.6961 20508.9615 14411.0523 238.2666 -203898.4862 2905.4480 0.0000 0.0000 51992.4337 -109892.6281 298.8012 -161885.0618 -109535.0000 298.3960 1.4332 32.4841 760827.1410 -8.8901 -8.8860 LDB: ============= START OF LOAD BALANCING ============== 14167.6 LDB: ============== END OF LOAD BALANCING =============== 14167.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14167.6 LDB: ============= START OF LOAD BALANCING ============== 14167.9 LDB: Largest compute 7028 load 0.033132 is 17.0% of average load 0.195283 LDB: Average compute 0.004414 is 2.3% of average load 0.195283 LDB: TIME 14167.9 LOAD: AVG 0.195283 MAX 0.214214 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.102 MB LDB: TIME 14167.9 LOAD: AVG 0.195283 MAX 0.214214 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.301 MB LDB: TIME 14167.9 LOAD: AVG 0.195283 MAX 0.214214 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.301 MB LDB: ============== END OF LOAD BALANCING =============== 14167.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14167.9 PRESSURE: 4532400 -190.808 131.986 82.5504 131.984 -336.453 48.6937 82.5515 48.6944 -138.384 GPRESSURE: 4532400 -213.523 91.8814 7.58565 122.711 -301.433 31.6776 3.68442 12.8759 -44.4302 PRESSAVG: 4532400 -83.0378 -40.9661 -21.91 -40.9661 59.5271 -33.906 -21.9099 -33.906 -8.01535 GPRESSAVG: 4532400 -84.3311 -40.8951 -23.9951 -41.3406 59.5227 -33.5251 -23.6508 -36.6665 -7.17902 TIMING: 4532400 CPU: 14155.8, 0.00318231/step Wall: 14155.8, 0.00318231/step, 0.413347 hours remaining, 234.058594 MB of memory in use. ENERGY: 4532400 4071.2864 20376.4688 14462.8015 235.8510 -203582.5663 2687.8142 0.0000 0.0000 51533.1057 -110215.2387 296.1615 -161748.3444 -109847.2858 297.8836 -221.8814 -186.4619 762114.9355 -10.5087 -10.6625 PRESSURE: 4532600 156.206 135.673 -134.713 135.673 12.7553 -48.0742 -134.714 -48.0753 -85.1015 GPRESSURE: 4532600 218.818 55.7999 -169.211 189.85 -68.3841 -37.5657 -63.7057 48.335 10.8038 PRESSAVG: 4532600 -45.7273 -16.9511 -30.6638 -16.9511 42.3484 44.8719 -30.6639 44.8718 9.08063 GPRESSAVG: 4532600 -44.6054 -18.7878 -28.8469 -17.293 41.3036 43.6426 -30.122 45.216 9.2727 TIMING: 4532600 CPU: 14156.4, 0.00310923/step Wall: 14156.4, 0.00310923/step, 0.403681 hours remaining, 234.058594 MB of memory in use. ENERGY: 4532600 4031.4520 20647.0202 14413.6017 243.3758 -203763.5144 2832.4883 0.0000 0.0000 51674.9725 -109920.6040 296.9768 -161595.5765 -109565.8770 297.6468 27.9534 53.7459 761071.2398 1.9006 1.9903 PRESSURE: 4532800 239.131 39.7835 -103.744 39.784 -171.547 134.881 -103.744 134.881 -281.293 GPRESSURE: 4532800 357.368 39.2533 -83.959 35.9005 -248.077 34.2437 -188.222 17.6611 -251.475 PRESSAVG: 4532800 23.6162 -52.3494 29.0999 -52.3495 19.2313 0.667248 29.0999 0.667237 1.69782 GPRESSAVG: 4532800 23.7295 -53.1023 29.3729 -49.6146 20.0247 0.546905 28.9133 0.217772 0.757215 TIMING: 4532800 CPU: 14157, 0.00311525/step Wall: 14157, 0.00311525/step, 0.404291 hours remaining, 234.058594 MB of memory in use. ENERGY: 4532800 3979.5585 20637.2656 14462.7926 246.4932 -203310.1812 2440.4919 0.0000 0.0000 51769.4725 -109774.1070 297.5199 -161543.5795 -109411.7541 298.2040 -71.2365 -47.3950 760710.7453 14.8484 14.8371 PRESSURE: 4533000 -286.228 -75.5697 75.9353 -75.5703 -30.0233 -287.521 75.935 -287.521 243.78 GPRESSURE: 4533000 -249.763 -104.671 74.2289 -59.6768 -25.8225 -214.343 88.5719 -154.55 285.072 PRESSAVG: 4533000 16.6142 -51.6056 -21.0005 -51.6056 -1.49768 -10.3752 -21.0006 -10.3752 17.2932 GPRESSAVG: 4533000 14.9499 -50.1479 -21.2615 -53.7463 -1.43835 -10.701 -21.2587 -7.3731 18.7555 TIMING: 4533000 CPU: 14157.6, 0.00310714/step Wall: 14157.6, 0.00310714/step, 0.403065 hours remaining, 234.058594 MB of memory in use. ENERGY: 4533000 3987.9415 20621.6002 14425.7867 228.6728 -204090.9982 3178.3101 0.0000 0.0000 51670.8143 -109977.8725 296.9529 -161648.6868 -109619.5082 298.3287 -24.1572 3.1621 760480.8014 10.8032 10.7557 PRESSURE: 4533200 26.1767 -100.094 99.5616 -100.094 96.4419 -19.5575 99.5613 -19.5563 118.834 GPRESSURE: 4533200 66.6958 -116.592 122.707 -158.621 133.78 -27.7206 -32.6226 10.2396 118.295 PRESSAVG: 4533200 21.0942 -20.652 -15.6025 -20.652 -8.93156 -29.7564 -15.6026 -29.7564 30.6539 GPRESSAVG: 4533200 22.0359 -17.7355 -15.7141 -23.7225 -8.31289 -29.7936 -15.0366 -30.367 29.2453 TIMING: 4533200 CPU: 14158.2, 0.003094/step Wall: 14158.2, 0.003094/step, 0.401189 hours remaining, 234.261719 MB of memory in use. ENERGY: 4533200 3973.6511 20488.0503 14460.8824 245.2389 -203673.4393 2760.5563 0.0000 0.0000 51644.0995 -110100.9608 296.7993 -161745.0603 -109751.6005 298.2555 80.4842 106.2570 760252.5936 14.2722 14.3228 PRESSURE: 4533400 -271.61 30.3744 67.0797 30.3734 15.7831 81.9384 67.0791 81.9385 46.8566 GPRESSURE: 4533400 -135.082 -34.1601 54.3036 -38.5168 -41.9264 59.761 24.2392 -47.5821 66.0746 PRESSAVG: 4533400 -18.5299 -30.9987 44.2011 -30.9987 42.4264 -55.1976 44.201 -55.1976 -17.2239 GPRESSAVG: 4533400 -18.8375 -34.4942 41.451 -28.4255 42.5369 -53.4411 47.0152 -56.9023 -16.7472 TIMING: 4533400 CPU: 14158.9, 0.00308638/step Wall: 14158.9, 0.00308638/step, 0.400029 hours remaining, 234.261719 MB of memory in use. ENERGY: 4533400 3984.2809 20507.9034 14406.7754 272.9552 -204029.9663 2912.1940 0.0000 0.0000 52026.4064 -109919.4512 298.9965 -161945.8575 -109556.1468 297.8944 -69.6569 -36.9780 761581.2820 2.2242 2.3174 PRESSURE: 4533600 -120.551 -107.685 76.7967 -107.685 -162.527 -246.001 76.7972 -246.002 -219.088 GPRESSURE: 4533600 -122.845 -43.2224 75.3583 -139.09 -90.83 -244.897 55.9751 -142.815 -201.394 PRESSAVG: 4533600 -29.8102 -74.9769 14.2246 -74.9769 43.0455 -23.5497 14.2247 -23.5497 -11.921 GPRESSAVG: 4533600 -28.1487 -73.8915 16.1931 -75.3466 41.2118 -24.8058 13.8503 -23.8209 -11.8005 TIMING: 4533600 CPU: 14159.5, 0.00310951/step Wall: 14159.5, 0.00310951/step, 0.402854 hours remaining, 234.261719 MB of memory in use. ENERGY: 4533600 3999.4621 20418.5922 14421.2238 253.1739 -203824.7260 2696.8021 0.0000 0.0000 52017.2334 -110018.2384 298.9438 -162035.4718 -109655.5375 298.8070 -167.3887 -138.3562 761244.5716 0.4381 0.4209 PRESSURE: 4533800 -341.586 97.4564 210.049 97.4566 -243.119 85.4488 210.05 85.4493 127.271 GPRESSURE: 4533800 -324.861 47.2004 227.18 -26.8474 -150.868 86.0803 233.862 81.3882 97.6277 PRESSAVG: 4533800 -18.0195 1.47586 14.2216 1.47588 -31.8867 -36.1473 14.2216 -36.1471 -1.67529 GPRESSAVG: 4533800 -19.1852 1.87658 12.9161 1.51396 -30.7419 -35.4444 13.0579 -34.0699 -1.74656 TIMING: 4533800 CPU: 14160.1, 0.00311239/step Wall: 14160.1, 0.00311239/step, 0.403055 hours remaining, 234.261719 MB of memory in use. ENERGY: 4533800 4075.3019 20346.5863 14395.7045 250.3814 -203727.6851 2742.1216 0.0000 0.0000 51920.4378 -109997.1517 298.3875 -161917.5895 -109649.2051 297.6953 -152.4779 -126.0337 761491.6724 -17.1938 -17.2246 PRESSURE: 4534000 408.78 -265.009 -78.5244 -265.01 -141.541 23.6368 -78.5247 23.6373 -261.18 GPRESSURE: 4534000 390.999 -315.21 42.4616 -204.464 -112.611 17.795 -110.844 -14.1566 -175.089 PRESSAVG: 4534000 24.8439 3.5167 25.4361 3.51673 -38.3758 13.2933 25.4361 13.2933 -5.88269 GPRESSAVG: 4534000 23.6978 5.92404 27.1849 2.72252 -37.7795 13.0307 24.0878 11.4577 -4.95385 TIMING: 4534000 CPU: 14160.7, 0.0031038/step Wall: 14160.7, 0.0031038/step, 0.401769 hours remaining, 234.250000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4534000 3936.8880 20398.6254 14454.2022 260.3869 -203607.9263 2634.9330 0.0000 0.0000 51744.1972 -110178.6937 297.3746 -161922.8908 -109821.9005 297.8820 2.0199 34.4329 761113.2162 -6.4715 -6.3452 PRESSURE: 4534200 -61.6671 -94.1391 59.9926 -94.1392 53.6361 -99.2825 59.9926 -99.2828 638.735 GPRESSURE: 4534200 -99.0288 -78.2227 56.3993 -73.1101 115.932 -58.9303 32.782 -145.811 669.296 PRESSAVG: 4534200 -3.57188 -52.0481 30.4378 -52.0481 33.8354 12.9798 30.4378 12.9797 0.124153 GPRESSAVG: 4534200 -1.98074 -55.5274 30.4298 -51.0423 32.1074 12.4348 29.669 15.3436 -0.0602448 TIMING: 4534200 CPU: 14161.4, 0.00310247/step Wall: 14161.4, 0.00310247/step, 0.401425 hours remaining, 234.250000 MB of memory in use. ENERGY: 4534200 3963.8267 20399.7671 14411.8113 266.0888 -203562.2444 2781.8665 0.0000 0.0000 51814.0106 -109924.8733 297.7758 -161738.8840 -109575.6727 297.9038 210.2347 228.7331 762755.7823 10.1292 10.0221 PRESSURE: 4534400 -273.046 -117.931 -188.478 -117.932 102.485 -27.2124 -188.477 -27.2124 -66.7177 GPRESSURE: 4534400 -194.685 -162.598 -114.897 -108.961 102.452 -35.0687 -54.3454 -46.3757 -53.859 PRESSAVG: 4534400 14.9327 2.89233 34.7225 2.89238 -3.99572 -48.5232 34.7225 -48.5232 -7.70436 GPRESSAVG: 4534400 14.2839 4.80948 34.2796 2.77957 -2.27714 -48.7327 35.3617 -51.6683 -9.221 TIMING: 4534400 CPU: 14162, 0.00309004/step Wall: 14162, 0.00309004/step, 0.399646 hours remaining, 234.250000 MB of memory in use. ENERGY: 4534400 3867.2071 20426.1266 14425.9193 237.1135 -203478.4397 2603.2485 0.0000 0.0000 52212.6419 -109706.1829 300.0668 -161918.8248 -109332.8170 298.6063 -79.0931 -48.6973 762013.7547 1.0775 0.9286 PRESSURE: 4534600 144.315 98.3436 75.8478 98.3437 291.457 -194.498 75.8479 -194.498 -27.0897 GPRESSURE: 4534600 96.9676 32.3938 27.9489 147.585 388.546 -163.441 61.4569 -207.644 -11.0467 PRESSAVG: 4534600 -23.5625 -45.7484 23.922 -45.7485 54.7208 -0.528544 23.922 -0.528462 2.48374 GPRESSAVG: 4534600 -24.3503 -44.3898 25.3043 -44.8077 53.7538 0.819939 22.5085 -0.469428 4.16304 TIMING: 4534600 CPU: 14162.6, 0.00308785/step Wall: 14162.6, 0.00308785/step, 0.399191 hours remaining, 234.261719 MB of memory in use. ENERGY: 4534600 3937.3029 20465.0919 14346.8370 239.2242 -203789.0074 2957.0236 0.0000 0.0000 52656.4520 -109187.0759 302.6174 -161843.5278 -108833.6213 299.7721 136.2276 158.1556 760719.8597 11.2140 11.1889 PRESSURE: 4534800 345.599 201.278 178.254 201.278 131.372 54.2767 178.255 54.2779 -45.0601 GPRESSURE: 4534800 390.235 88.4237 202.049 207.699 138.113 -14.0745 131.942 141.236 -22.3551 PRESSAVG: 4534800 -18.2145 -45.1374 -2.92827 -45.1374 -11.7835 14.6428 -2.92829 14.6428 -16.5959 GPRESSAVG: 4534800 -18.031 -46.9735 -4.66342 -47.2164 -11.345 12.8015 -1.51144 15.8343 -17.3255 TIMING: 4534800 CPU: 14163.2, 0.0031065/step Wall: 14163.2, 0.0031065/step, 0.401429 hours remaining, 234.261719 MB of memory in use. ENERGY: 4534800 4005.1647 20675.6412 14496.0237 247.6106 -203424.1783 2847.3761 0.0000 0.0000 52107.7806 -109044.5813 299.4641 -161152.3619 -108677.6045 300.0619 143.9704 168.6643 762932.4947 -15.5313 -15.5672 PRESSURE: 4535000 -273.658 182.409 -83.0632 182.409 -255.913 -47.7995 -83.0632 -47.7999 -311.999 GPRESSURE: 4535000 -208.117 127.242 -123.534 342.613 -226.09 -64.7554 6.2955 -133.071 -307.5 PRESSAVG: 4535000 24.9192 13.9712 -24.8216 13.9712 -24.5594 43.9374 -24.8216 43.9374 -17.3467 GPRESSAVG: 4535000 25.1662 13.1958 -24.117 16.1248 -24.2691 45.2566 -23.5072 43.5119 -17.4487 TIMING: 4535000 CPU: 14163.8, 0.00310357/step Wall: 14163.8, 0.00310357/step, 0.400878 hours remaining, 234.261719 MB of memory in use. ENERGY: 4535000 3987.3440 20474.6181 14487.9453 238.8653 -202794.7432 2334.3729 0.0000 0.0000 51967.9338 -109303.6639 298.6604 -161271.5976 -108937.5196 299.7310 -280.5233 -247.2358 763367.0362 -5.6623 -5.5172 PRESSURE: 4535200 255.47 14.2203 66.5757 14.2198 247.181 120.747 66.5762 120.746 108.518 GPRESSURE: 4535200 246.009 74.8258 95.7443 -27.5656 228.434 84.1303 16.8376 37.1978 209.542 PRESSAVG: 4535200 -29.112 24.2549 10.4238 24.2549 39.1761 44.0117 10.4237 44.0118 -11.2934 GPRESSAVG: 4535200 -29.4719 26.124 11.8734 23.8343 38.4341 44.0201 8.4162 44.4952 -10.3357 TIMING: 4535200 CPU: 14164.5, 0.00310791/step Wall: 14164.5, 0.00310791/step, 0.401266 hours remaining, 234.261719 MB of memory in use. ENERGY: 4535200 3901.7273 20558.8292 14486.9524 254.4862 -203506.6090 2791.1831 0.0000 0.0000 52009.8298 -109503.6011 298.9012 -161513.4309 -109138.7092 299.0110 203.7234 227.9949 761564.5194 -0.4098 -0.4578 PRESSURE: 4535400 252.755 -75.6393 -315.363 -75.6389 -327.664 48.8652 -315.362 48.8645 -230.623 GPRESSURE: 4535400 246.056 -85.9264 -236.957 -95.2027 -279.08 15.7461 -281.229 136.467 -206.436 PRESSAVG: 4535400 -7.58718 20.2458 -24.1466 20.2458 -3.53986 29.5798 -24.1466 29.5798 -34.9241 GPRESSAVG: 4535400 -8.53981 20.5102 -25.2698 20.3648 -3.43893 29.4093 -23.6765 28.4975 -33.9084 TIMING: 4535400 CPU: 14165.1, 0.00313199/step Wall: 14165.1, 0.00313199/step, 0.4042 hours remaining, 234.261719 MB of memory in use. ENERGY: 4535400 3884.6600 20474.4432 14456.3905 245.1101 -203131.6158 2582.6592 0.0000 0.0000 52004.1450 -109484.2077 298.8685 -161488.3527 -109122.0896 298.6260 -101.8437 -79.8200 761409.2977 -15.3504 -15.2957 PRESSURE: 4535600 -289.266 77.7913 50.3591 77.7904 -331.592 168.772 50.3595 168.772 -239.043 GPRESSURE: 4535600 -258.814 38.609 69.9488 -13.5094 -270.694 175.217 74.2472 90.5105 -251.876 PRESSAVG: 4535600 -17.6961 9.93276 42.6728 9.93272 -16.9602 -8.97317 42.6727 -8.97319 12.9773 GPRESSAVG: 4535600 -16.932 10.3415 43.9727 8.13744 -16.193 -9.88885 43.5626 -7.7633 11.5196 TIMING: 4535600 CPU: 14165.7, 0.00309143/step Wall: 14165.7, 0.00309143/step, 0.398794 hours remaining, 234.261719 MB of memory in use. ENERGY: 4535600 4003.1260 20411.8691 14439.8777 253.9131 -203510.1877 2566.0440 0.0000 0.0000 52066.9272 -109768.4305 299.2293 -161835.3577 -109400.0795 298.5724 -286.6337 -260.4615 762518.7028 -7.2263 -7.2018 PRESSURE: 4535800 378.097 -116.891 106.775 -116.891 -99.3445 254.901 106.775 254.902 -38.5507 GPRESSURE: 4535800 334.441 -115.963 108.972 -239.512 0.0221394 143.242 53.9612 306.351 -15.7779 PRESSAVG: 4535800 0.0859067 -23.3047 17.2111 -23.3046 -10.7345 52.7144 17.2111 52.7144 -20.2168 GPRESSAVG: 4535800 0.269888 -27.5826 16.5666 -21.4849 -10.6617 52.7361 16.1775 53.0392 -20.6529 TIMING: 4535800 CPU: 14166.3, 0.003108/step Wall: 14166.3, 0.003108/step, 0.400759 hours remaining, 234.261719 MB of memory in use. ENERGY: 4535800 3977.0157 20600.7826 14527.6182 249.9401 -203616.3784 2832.7192 0.0000 0.0000 52038.0212 -109390.2814 299.0632 -161428.3026 -109031.1963 299.4104 80.0674 106.2285 761775.5396 -10.2885 -10.3482 PRESSURE: 4536000 -63.0069 -29.3609 -6.53391 -29.3612 331.817 -91.2797 -6.53387 -91.2798 113.064 GPRESSURE: 4536000 65.7744 26.7166 2.18833 -55.611 345.238 -44.5949 -18.3886 -201.162 79.034 PRESSAVG: 4536000 -20.8336 -4.67466 -12.884 -4.67471 29.2933 70.9313 -12.8839 70.9313 -11.569 GPRESSAVG: 4536000 -20.8112 -1.83867 -13.1378 -5.2198 27.8945 72.4631 -13.6604 67.4931 -9.97831 TIMING: 4536000 CPU: 14166.9, 0.00309184/step Wall: 14166.9, 0.00309184/step, 0.398504 hours remaining, 234.261719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4536000 4085.8313 20457.0255 14456.1316 251.0787 -203662.5380 2870.5381 0.0000 0.0000 52009.0853 -109532.8475 298.8969 -161541.9328 -109168.9553 299.3542 127.2912 163.3487 761435.4757 -1.0365 -0.9650 PRESSURE: 4536200 -171.586 3.99398 88.567 3.99392 -1.9284 215.972 88.5664 215.972 77.4185 GPRESSURE: 4536200 -107.437 27.4954 143.916 62.6343 70.1441 228.464 -61.251 202.061 34.4649 PRESSAVG: 4536200 -41.643 67.5101 33.484 67.5101 -23.3474 53.8679 33.4839 53.8679 0.322651 GPRESSAVG: 4536200 -40.6463 65.7681 32.3534 67.7339 -22.3448 52.1938 34.719 57.0202 -1.58946 TIMING: 4536200 CPU: 14167.6, 0.00310349/step Wall: 14167.6, 0.00310349/step, 0.399833 hours remaining, 234.261719 MB of memory in use. ENERGY: 4536200 3898.6381 20450.4656 14453.2806 253.7567 -203504.2286 2793.1499 0.0000 0.0000 51967.3996 -109687.5380 298.6574 -161654.9376 -109313.8302 298.6432 -32.0320 -0.9427 759474.5385 -21.5559 -21.5268 LDB: ============= START OF LOAD BALANCING ============== 14180 LDB: ============== END OF LOAD BALANCING =============== 14180 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14180 LDB: ============= START OF LOAD BALANCING ============== 14180.3 LDB: Largest compute 7028 load 0.033684 is 17.2% of average load 0.195338 LDB: Average compute 0.004433 is 2.3% of average load 0.195338 LDB: TIME 14180.3 LOAD: AVG 0.195338 MAX 0.217851 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.828 MB LDB: TIME 14180.3 LOAD: AVG 0.195338 MAX 0.217851 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.828 MB LDB: TIME 14180.3 LOAD: AVG 0.195338 MAX 0.217851 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.828 MB LDB: ============== END OF LOAD BALANCING =============== 14180.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 14180.4 Info: useSync: 0 useProxySync: 0 PRESSURE: 4536400 190.832 -25.5063 -192.44 -25.5055 -78.781 177.484 -192.439 177.484 124.129 GPRESSURE: 4536400 197.761 -11.1453 -150.926 -73.6243 -39.7609 122.915 -60.9021 326.124 149.195 PRESSAVG: 4536400 0.538278 -9.18319 -36.8182 -9.18311 14.9011 -18.1372 -36.8182 -18.1373 9.98684 GPRESSAVG: 4536400 0.200385 -7.25052 -34.9951 -11.5931 15.3692 -16.7621 -37.7558 -18.1797 10.3765 TIMING: 4536400 CPU: 14168.2, 0.00314791/step Wall: 14168.2, 0.00314791/step, 0.40538 hours remaining, 233.539062 MB of memory in use. ENERGY: 4536400 3970.5623 20753.0112 14438.6959 247.8742 -203843.2485 2892.9545 0.0000 0.0000 51913.7319 -109626.4185 298.3489 -161540.1504 -109266.5409 298.6352 78.7268 102.3984 760413.9286 8.4754 8.6487 PRESSURE: 4536600 -62.081 0.958781 -26.2929 0.958471 144.15 -23.8905 -26.2927 -23.8906 473.606 GPRESSURE: 4536600 -2.01619 39.2365 -122.112 9.12776 178.848 -72.5765 -54.4872 -71.2833 432.735 PRESSAVG: 4536600 38.0087 -22.7159 9.91948 -22.7158 -4.74634 3.3234 9.91949 3.32338 -14.2847 GPRESSAVG: 4536600 38.8743 -24.4829 7.06322 -19.093 -5.12789 1.75579 11.3568 2.81786 -14.4556 TIMING: 4536600 CPU: 14168.8, 0.00309414/step Wall: 14168.8, 0.00309414/step, 0.398285 hours remaining, 233.597656 MB of memory in use. ENERGY: 4536600 3982.7059 20757.5968 14442.3627 254.9141 -203991.6300 2772.5219 0.0000 0.0000 52057.3829 -109724.1456 299.1745 -161781.5285 -109361.0820 298.6764 185.2249 203.1889 760524.8945 6.3259 6.4303 PRESSURE: 4536800 106.942 -168.489 -270.787 -168.488 -162.308 87.4881 -270.788 87.4885 95.7727 GPRESSURE: 4536800 99.9341 -69.4359 -215.484 -191 -111.133 72.7164 -306.388 54.4157 132.555 PRESSAVG: 4536800 10.8325 -16.1742 -23.3292 -16.1742 30.8832 38.9343 -23.3292 38.9342 -12.7926 GPRESSAVG: 4536800 9.64062 -14.0698 -21.7839 -17.2511 32.3687 39.931 -24.7154 39.2428 -12.9489 TIMING: 4536800 CPU: 14169.4, 0.00308427/step Wall: 14169.4, 0.00308427/step, 0.396842 hours remaining, 233.597656 MB of memory in use. ENERGY: 4536800 4082.3786 20420.2465 14423.1957 252.8501 -203634.7790 2603.4380 0.0000 0.0000 51921.7954 -109930.8747 298.3953 -161852.6701 -109555.0890 298.7333 13.4690 40.4519 759971.8779 9.6410 9.6868 PRESSURE: 4537000 40.9456 -28.6779 -146.645 -28.6782 -94.6999 27.0793 -146.645 27.0801 -37.2575 GPRESSURE: 4537000 47.1229 15.2749 -248.376 -119.737 -0.841226 6.60187 -165.893 20.6428 -57.8062 PRESSAVG: 4537000 -24.364 -49.9903 -39.0913 -49.9904 13.8764 31.3276 -39.0913 31.3276 -5.19693 GPRESSAVG: 4537000 -23.8715 -51.2746 -39.1023 -50.1841 12.5715 31.7903 -38.1463 30.9348 -4.43835 TIMING: 4537000 CPU: 14170, 0.00308574/step Wall: 14170, 0.00308574/step, 0.39686 hours remaining, 233.597656 MB of memory in use. ENERGY: 4537000 3990.3346 20422.4997 14343.3062 259.9409 -202893.9264 2055.9583 0.0000 0.0000 51971.8828 -109850.0039 298.6831 -161821.8867 -109487.4358 298.4328 -30.3373 -3.8415 763255.4661 -5.2282 -5.2461 PRESSURE: 4537200 -65.0511 35.6455 129.02 35.646 150.662 -227.806 129.02 -227.807 365.309 GPRESSURE: 4537200 -10.7108 -62.1149 116.257 20.3499 221.124 -231.968 35.9714 -53.8284 346.534 PRESSAVG: 4537200 -7.79081 -20.3896 -23.8456 -20.3896 12.9501 25.3957 -23.8457 25.3957 -0.543124 GPRESSAVG: 4537200 -7.67552 -20.3067 -23.6476 -19.5273 13.8148 24.7295 -24.6682 27.0266 -1.94188 TIMING: 4537200 CPU: 14170.7, 0.0030925/step Wall: 14170.7, 0.0030925/step, 0.397558 hours remaining, 233.597656 MB of memory in use. ENERGY: 4537200 4013.6747 20490.6159 14371.9630 237.8650 -203644.6297 2849.8385 0.0000 0.0000 52038.4093 -109642.2634 299.0655 -161680.6727 -109298.6061 298.4668 150.3066 185.6490 761037.1417 1.5387 1.3991 PRESSURE: 4537400 72.7671 -145.697 -214.307 -145.697 76.6906 -297.419 -214.306 -297.418 -256.256 GPRESSURE: 4537400 68.1225 -129.469 -287.211 -192.981 53.9429 -426.132 -201.024 -153.411 -145.515 PRESSAVG: 4537400 38.3461 -10.0901 16.1834 -10.0901 21.7219 7.08332 16.1834 7.08332 21.2502 GPRESSAVG: 4537400 38.2606 -9.19182 14.9888 -10.4353 20.3655 6.86394 15.7169 5.94031 22.4525 TIMING: 4537400 CPU: 14171.3, 0.00311365/step Wall: 14171.3, 0.00311365/step, 0.400104 hours remaining, 233.730469 MB of memory in use. ENERGY: 4537400 3909.9898 20540.8355 14430.2045 237.1114 -203846.1386 2840.1860 0.0000 0.0000 52191.2412 -109696.5702 299.9438 -161887.8114 -109340.0923 298.8825 -35.5995 -7.8166 760429.2576 27.1061 27.0262 PRESSURE: 4537600 44.0534 -22.9644 -19.5527 -22.9642 -304.569 -20.8844 -19.5531 -20.8851 -266.247 GPRESSURE: 4537600 106.737 -5.97293 58.6032 4.07742 -293.934 -39.7609 90.605 -24.427 -251.188 PRESSAVG: 4537600 4.30444 -23.1623 -55.5259 -23.1623 -10.6724 15.061 -55.5259 15.061 15.1514 GPRESSAVG: 4537600 3.94011 -25.5871 -54.7417 -22.7369 -10.6241 16.5641 -53.3206 13.7963 15.2021 TIMING: 4537600 CPU: 14171.9, 0.00312498/step Wall: 14171.9, 0.00312498/step, 0.401386 hours remaining, 233.730469 MB of memory in use. ENERGY: 4537600 3975.9314 20343.5910 14470.6007 246.7419 -203331.9083 2423.4487 0.0000 0.0000 51994.9543 -109876.6402 298.8157 -161871.5945 -109514.5781 298.3772 -175.5874 -146.1283 761406.9597 2.9278 2.8394 PRESSURE: 4537800 48.11 -109.741 -146.192 -109.741 -91.7152 57.8956 -146.193 57.8962 -37.0195 GPRESSURE: 4537800 97.1447 -29.4207 -202.888 -135.644 -93.3337 7.07193 -70.9437 122.764 -36.809 PRESSAVG: 4537800 -19.6954 14.8373 -0.462475 14.8373 -57.8447 74.185 -0.462484 74.1849 13.795 GPRESSAVG: 4537800 -19.8836 18.1309 0.411115 13.226 -58.0163 74.3134 -2.30099 73.9959 13.7297 TIMING: 4537800 CPU: 14172.5, 0.00313443/step Wall: 14172.5, 0.00313443/step, 0.402426 hours remaining, 233.730469 MB of memory in use. ENERGY: 4537800 3977.4086 20405.6280 14381.3367 264.4295 -203707.2113 2792.5885 0.0000 0.0000 51981.4773 -109904.3427 298.7383 -161885.8199 -109543.2756 298.1699 -26.8749 -10.9993 762592.6018 -21.2483 -21.3900 PRESSURE: 4538000 -263.363 111.317 305.787 111.317 22.2175 42.2544 305.786 42.2534 9.64597 GPRESSURE: 4538000 -244.66 11.9585 229.658 150.054 64.6385 151.101 295.344 12.8189 46.3872 PRESSAVG: 4538000 -36.2291 -27.4624 3.83719 -27.4624 14.9253 -31.975 3.8372 -31.975 -8.11691 GPRESSAVG: 4538000 -36.0019 -30.7002 3.43077 -25.2625 15.0171 -32.8898 5.22567 -28.9961 -8.13956 TIMING: 4538000 CPU: 14173.2, 0.00313144/step Wall: 14173.2, 0.00313144/step, 0.401868 hours remaining, 233.730469 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: 4538000 4000.8389 20412.0329 14419.0110 245.7166 -203238.0570 2307.8360 0.0000 0.0000 51783.8604 -110068.7613 297.6026 -161852.6217 -109716.0695 297.8158 -77.1666 -44.5448 760920.9298 -9.8069 -9.7081 PRESSURE: 4538200 4.59565 -116.768 -85.1555 -116.769 154.759 -122.611 -85.1562 -122.611 223.947 GPRESSURE: 4538200 134.027 -166.416 29.1114 -106.202 108.527 -135.718 -85.0791 -148.413 221.651 PRESSAVG: 4538200 19.6574 -14.5412 -19.9162 -14.5412 -31.0637 3.42353 -19.9162 3.4234 3.93469 GPRESSAVG: 4538200 18.6502 -14.1829 -19.8679 -12.7263 -29.9364 1.13797 -22.0329 0.249208 4.53066 TIMING: 4538200 CPU: 14173.8, 0.00312345/step Wall: 14173.8, 0.00312345/step, 0.400669 hours remaining, 233.730469 MB of memory in use. ENERGY: 4538200 3874.6235 20545.1994 14506.0476 247.1459 -203428.4697 2686.0877 0.0000 0.0000 51828.6327 -109740.7329 297.8599 -161569.3656 -109387.8814 298.3360 127.7674 154.7353 761739.4339 -2.4906 -2.2518 PRESSURE: 4538400 373.382 22.9467 33.9894 22.9463 -65.6302 -179.598 33.9892 -179.599 55.8139 GPRESSURE: 4538400 350.527 -45.3541 124.099 24.9957 76.9039 -148.035 11.3282 -137.905 16.2635 PRESSAVG: 4538400 105.371 -80.2305 -27.0075 -80.2305 -44.025 -41.6076 -27.0075 -41.6077 5.54006 GPRESSAVG: 4538400 106.043 -78.7866 -27.1074 -83.0516 -44.7378 -39.5678 -26.398 -39.8582 5.8455 TIMING: 4538400 CPU: 14174.4, 0.00310396/step Wall: 14174.4, 0.00310396/step, 0.397997 hours remaining, 233.730469 MB of memory in use. ENERGY: 4538400 4002.4598 20608.0938 14459.2708 246.3113 -203802.4194 3002.3700 0.0000 0.0000 51731.0401 -109752.8735 297.2990 -161483.9136 -109403.0049 298.4093 121.1884 147.8981 760544.8708 22.2954 22.3837 PRESSURE: 4538600 350.196 -51.5597 111.59 -51.5597 137.712 105.599 111.591 105.6 36.0623 GPRESSURE: 4538600 474.392 -95.6178 86.4054 -139.014 132.1 54.172 199.435 104.831 3.21701 PRESSAVG: 4538600 -14.3465 -37.1003 19.5881 -37.1003 3.42833 -30.3843 19.5881 -30.3843 -11.2805 GPRESSAVG: 4538600 -14.0762 -36.8533 18.2855 -37.3314 3.45218 -30.1666 20.6404 -30.9787 -11.8626 TIMING: 4538600 CPU: 14175, 0.00311657/step Wall: 14175, 0.00311657/step, 0.399441 hours remaining, 233.730469 MB of memory in use. ENERGY: 4538600 3927.6515 20509.0814 14401.1955 258.9837 -203519.1156 2854.6675 0.0000 0.0000 51747.2195 -109820.3164 297.3920 -161567.5360 -109460.8767 298.3439 174.6571 203.2363 761199.0592 -7.3996 -7.4955 PRESSURE: 4538800 167.713 -137.767 -55.6972 -137.768 -88.7715 115.273 -55.6973 115.274 114.934 GPRESSURE: 4538800 238.516 -178.558 -57.5915 -83.0776 -73.5633 163.779 33.4438 156.765 116.058 PRESSAVG: 4538800 2.52009 -49.823 -5.54067 -49.823 1.56499 -11.2866 -5.54065 -11.2866 -5.2176 GPRESSAVG: 4538800 2.48388 -52.874 -4.31304 -47.6443 0.616166 -11.5465 -5.5848 -12.621 -4.34082 TIMING: 4538800 CPU: 14175.6, 0.00310609/step Wall: 14175.6, 0.00310609/step, 0.397925 hours remaining, 233.730469 MB of memory in use. ENERGY: 4538800 3937.8179 20477.3780 14504.2792 248.3931 -203486.0144 2785.3760 0.0000 0.0000 51897.7112 -109635.0590 298.2569 -161532.7702 -109278.6300 298.5276 64.6253 93.6702 760885.1907 -0.3775 -0.4136 PRESSURE: 4539000 -500.783 -57.3611 27.5572 -57.3605 -292.267 -52.6214 27.5568 -52.6207 -793.655 GPRESSURE: 4539000 -431.915 -110.992 49.4412 -109.254 -234.475 -98.0477 -55.6853 3.4285 -841.609 PRESSAVG: 4539000 -65.1279 -41.3148 -19.0503 -41.3148 79.5776 44.519 -19.0502 44.5189 17.7583 GPRESSAVG: 4539000 -65.2554 -39.5937 -19.4489 -41.0004 80.0818 44.2896 -21.1148 45.8132 17.3047 TIMING: 4539000 CPU: 14176.3, 0.00310222/step Wall: 14176.3, 0.00310222/step, 0.397256 hours remaining, 233.730469 MB of memory in use. ENERGY: 4539000 4015.2771 20520.0928 14452.5623 240.4205 -203222.0810 2317.1603 0.0000 0.0000 51915.9696 -109760.5984 298.3618 -161676.5680 -109397.7660 298.8223 -528.9017 -502.6660 762607.3197 10.7360 10.7104 PRESSURE: 4539200 -142.396 5.95507 86.3569 5.95479 -239.51 -68.5591 86.3566 -68.5588 -82.9622 GPRESSURE: 4539200 -127.84 -62.4197 81.4357 -46.5824 -110.118 -55.3376 189.481 -68.0928 -130.681 PRESSAVG: 4539200 1.78815 -48.5751 -12.3103 -48.5752 21.9792 80.6021 -12.3103 80.6021 -21.1095 GPRESSAVG: 4539200 2.50428 -48.4216 -12.3759 -49.1421 22.3326 81.7608 -8.745 81.459 -22.219 TIMING: 4539200 CPU: 14176.9, 0.00310584/step Wall: 14176.9, 0.00310584/step, 0.397547 hours remaining, 233.730469 MB of memory in use. ENERGY: 4539200 4016.7057 20529.0626 14439.7542 222.8107 -203632.8344 2819.8983 0.0000 0.0000 51915.3699 -109689.2330 298.3583 -161604.6029 -109332.0621 298.6763 -154.9561 -122.8797 760712.3591 0.8859 0.8726 PRESSURE: 4539400 179.117 8.94197 -71.0185 8.94255 27.5298 199.672 -71.019 199.673 57.9 GPRESSURE: 4539400 232.447 -58.8802 -82.6378 -119.062 41.3927 232.233 -124.575 82.1188 89.5238 PRESSAVG: 4539400 0.263334 -23.8965 40.8783 -23.8966 33.9209 50.3516 40.8783 50.3517 8.3534 GPRESSAVG: 4539400 0.335693 -24.4579 40.3978 -24.2638 33.2714 50.6128 38.1543 47.8356 8.78279 TIMING: 4539400 CPU: 14177.5, 0.00309181/step Wall: 14177.5, 0.00309181/step, 0.39558 hours remaining, 233.730469 MB of memory in use. ENERGY: 4539400 3996.4417 20565.1310 14393.7525 237.9257 -203675.6640 2777.7235 0.0000 0.0000 51806.3576 -109898.3322 297.7318 -161704.6898 -109546.9072 298.4318 88.1823 121.1212 760912.6122 14.1792 14.1300 PRESSURE: 4539600 -470.312 -48.8259 211.802 -48.8255 -175.645 307.074 211.802 307.074 -354.547 GPRESSURE: 4539600 -401.027 -52.1941 282.895 30.5683 -222.719 258.802 120.85 344.388 -293.371 PRESSAVG: 4539600 -12.0013 11.8795 29.0914 11.8795 -21.6603 54.0106 29.0914 54.0106 -11.1567 GPRESSAVG: 4539600 -12.6758 11.1654 29.8573 12.0141 -21.3964 52.7486 28.6297 54.9243 -10.4428 TIMING: 4539600 CPU: 14178.1, 0.00311379/step Wall: 14178.1, 0.00311379/step, 0.398219 hours remaining, 233.730469 MB of memory in use. ENERGY: 4539600 4028.5658 20595.6727 14406.0540 256.9088 -203586.8107 2772.7779 0.0000 0.0000 51572.9919 -109953.8395 296.3907 -161526.8314 -109600.2092 297.9291 -333.5011 -305.7054 764306.6017 -14.9394 -14.8384 PRESSURE: 4539800 -339.114 80.2121 285.399 80.2123 -345.34 -240.254 285.398 -240.254 76.6561 GPRESSURE: 4539800 -272.041 -11.0513 224.246 113.783 -202.188 -199.106 253.789 -102.715 -61.9577 PRESSAVG: 4539800 4.85356 -3.399 15.5286 -3.39896 -2.67492 27.1037 15.5286 27.1038 6.18322 GPRESSAVG: 4539800 4.40052 -2.74084 14.667 -2.85152 -0.729043 26.6002 15.5659 26.9394 4.83745 TIMING: 4539800 CPU: 14178.8, 0.00309981/step Wall: 14178.8, 0.00309981/step, 0.396259 hours remaining, 233.730469 MB of memory in use. ENERGY: 4539800 4048.4047 20567.6037 14464.0353 239.7444 -203593.9807 2607.8449 0.0000 0.0000 51903.8008 -109762.5469 298.2919 -161666.3477 -109404.3048 298.8182 -202.5994 -178.7287 761978.5807 2.7873 2.8363 PRESSURE: 4540000 -195.266 56.8308 -69.593 56.8301 56.9239 -189.825 -69.5927 -189.825 256.23 GPRESSURE: 4540000 -188.717 98.3743 -120.06 -14.0591 67.1304 -186.661 -83.0523 -214.598 314.763 PRESSAVG: 4540000 20.8371 -81.5046 69.6465 -81.5046 -51.7537 -40.8715 69.6465 -40.8715 12.8063 GPRESSAVG: 4540000 21.7206 -80.6357 69.982 -83.0551 -52.6377 -41.5222 67.7994 -39.2518 12.7937 TIMING: 4540000 CPU: 14179.4, 0.00310412/step Wall: 14179.4, 0.00310412/step, 0.396637 hours remaining, 233.730469 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: 4540000 3919.8566 20499.3924 14490.6704 244.5045 -203736.3335 2920.6173 0.0000 0.0000 51893.9723 -109767.3200 298.2354 -161661.2924 -109412.0159 298.9376 39.2960 64.3919 761049.3723 -6.0368 -6.0411 PRESSURE: 4540200 -311.952 -20.5667 -24.2157 -20.5664 102.694 9.87644 -24.2153 9.8767 -169.445 GPRESSURE: 4540200 -191.47 -126.922 30.1436 2.79949 38.3916 87.263 -157.844 100.506 -150.961 PRESSAVG: 4540200 7.86359 -48.1382 40.7262 -48.1383 -33.8451 -10.3042 40.7262 -10.3042 5.80933 GPRESSAVG: 4540200 8.52087 -48.4064 39.479 -48.2864 -35.5465 -8.70715 43.0045 -11.0262 6.37358 TIMING: 4540200 CPU: 14180, 0.0031045/step Wall: 14180, 0.0031045/step, 0.396514 hours remaining, 233.730469 MB of memory in use. ENERGY: 4540200 4031.4868 20430.4504 14429.0756 247.6150 -203874.7591 2729.5081 0.0000 0.0000 52184.2904 -109822.3327 299.9038 -162006.6231 -109463.4155 298.6833 -126.2344 -101.3465 760118.6931 -6.7241 -6.8840 LDB: ============= START OF LOAD BALANCING ============== 14192.5 LDB: ============== END OF LOAD BALANCING =============== 14192.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14192.5 LDB: ============= START OF LOAD BALANCING ============== 14192.8 LDB: Largest compute 7028 load 0.035862 is 18.4% of average load 0.195323 LDB: Average compute 0.004415 is 2.3% of average load 0.195323 LDB: TIME 14192.8 LOAD: AVG 0.195323 MAX 0.213539 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.832 MB LDB: TIME 14192.8 LOAD: AVG 0.195323 MAX 0.213539 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.832 MB LDB: TIME 14192.8 LOAD: AVG 0.195323 MAX 0.213539 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.832 MB LDB: ============== END OF LOAD BALANCING =============== 14192.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14192.8 PRESSURE: 4540400 -172.904 125.083 -370.905 125.083 -93.1091 58.3075 -370.905 58.3079 -124.456 GPRESSURE: 4540400 -86.5298 96.8448 -349.94 171.12 -52.0418 79.9967 -244.148 50.0424 -165.582 PRESSAVG: 4540400 13.8618 -66.9301 -41.3227 -66.93 -22.7533 83.1782 -41.3227 83.1781 -18.562 GPRESSAVG: 4540400 12.5965 -68.3432 -40.0701 -64.4418 -20.1794 81.8758 -40.4583 82.7114 -19.7739 TIMING: 4540400 CPU: 14180.6, 0.00316003/step Wall: 14180.6, 0.00316003/step, 0.40343 hours remaining, 235.476562 MB of memory in use. ENERGY: 4540400 3954.7604 20375.2198 14467.0288 255.9047 -203963.2816 2897.0553 0.0000 0.0000 52165.0662 -109848.2463 299.7934 -162013.3125 -109478.9639 298.2253 -130.1565 -101.3846 762557.0939 -9.1512 -9.1190 PRESSURE: 4540600 -244.48 255.707 166.908 255.707 -53.6889 145.496 166.907 145.495 -354.269 GPRESSURE: 4540600 -126.113 105.5 217.816 227.358 -99.9932 96.1595 69.3945 191.217 -347.55 PRESSAVG: 4540600 47.1234 -45.8268 -23.016 -45.8268 -31.9414 -17.161 -23.0161 -17.161 20.3852 GPRESSAVG: 4540600 47.481 -44.1064 -23.0001 -48.3603 -33.3304 -17.5664 -24.3382 -16.0013 20.7667 TIMING: 4540600 CPU: 14181.2, 0.00309782/step Wall: 14181.2, 0.00309782/step, 0.395316 hours remaining, 235.679688 MB of memory in use. ENERGY: 4540600 4070.0507 20510.4377 14449.5819 249.5882 -203596.7280 2521.6897 0.0000 0.0000 52018.0169 -109777.3627 298.9483 -161795.3796 -109419.9668 297.9854 -217.4795 -191.2187 762349.1751 11.8557 11.6391 PRESSURE: 4540800 -181.895 -136.093 -230.793 -136.094 13.1881 -119.496 -230.793 -119.497 -138.102 GPRESSURE: 4540800 -127.174 -180.3 -296.643 -121.312 -3.29645 -188.571 -264.19 -83.3865 -104.882 PRESSAVG: 4540800 -26.9582 -5.88578 17.3661 -5.88576 2.5544 19.203 17.3661 19.203 10.5443 GPRESSAVG: 4540800 -26.5732 -6.86335 18.459 -5.08185 1.98467 19.2552 16.5615 19.8326 10.7453 TIMING: 4540800 CPU: 14181.9, 0.00309484/step Wall: 14181.9, 0.00309484/step, 0.394764 hours remaining, 235.679688 MB of memory in use. ENERGY: 4540800 4085.3359 20619.6443 14369.3961 233.0680 -203449.0265 2630.3917 0.0000 0.0000 51961.0874 -109550.1032 298.6211 -161511.1906 -109187.1783 298.8826 -102.2695 -78.4506 762922.4547 -4.6198 -4.6144 PRESSURE: 4541000 -90.9267 -207.2 53.4635 -207.2 50.1917 -67.0229 53.4634 -67.0234 -209.296 GPRESSURE: 4541000 -66.0209 -225.523 99.4332 -136.333 3.94332 -71.2382 -32.0425 -39.0625 -110.989 PRESSAVG: 4541000 -51.4972 -40.4606 -6.07865 -40.4606 33.9245 -10.3553 -6.07871 -10.3552 11.2067 GPRESSAVG: 4541000 -53.0424 -41.15 -7.56458 -36.9061 34.8506 -7.82446 -3.25923 -13.1268 12.0281 TIMING: 4541000 CPU: 14182.5, 0.00310836/step Wall: 14182.5, 0.00310836/step, 0.396316 hours remaining, 235.843750 MB of memory in use. ENERGY: 4541000 4053.9342 20490.1826 14502.1956 219.4430 -203036.1072 2323.7583 0.0000 0.0000 51838.5689 -109608.0245 297.9170 -161446.5934 -109261.0080 298.9940 -83.3435 -57.6889 762501.8363 -2.1220 -2.0546 PRESSURE: 4541200 -59.783 -187.869 -114.876 -187.868 -87.0154 262.52 -114.876 262.52 242.674 GPRESSURE: 4541200 -0.382384 -227.014 6.4535 -108 -98.3408 201.76 -110.486 216.549 268.021 PRESSAVG: 4541200 12.576 -28.272 26.3611 -28.272 4.67536 24.595 26.3611 24.5949 -6.3188 GPRESSAVG: 4541200 12.9876 -26.9691 27.8742 -31.1552 5.36904 23.9543 25.1772 25.4564 -7.48517 TIMING: 4541200 CPU: 14183.1, 0.00309229/step Wall: 14183.1, 0.00309229/step, 0.394096 hours remaining, 235.910156 MB of memory in use. ENERGY: 4541200 4010.9187 20451.3119 14470.8098 253.1511 -203022.3672 2574.0630 0.0000 0.0000 51944.7846 -109317.3282 298.5274 -161262.1128 -108954.1484 299.0010 31.9587 56.4325 761781.3972 3.6442 3.6238 PRESSURE: 4541400 -57.6939 -190.298 219.668 -190.299 -102.508 -101.65 219.667 -101.651 -59.8188 GPRESSURE: 4541400 -19.6732 -210.812 248.86 -193.577 -64.8791 -173.465 168.174 -68.3759 -54.7441 PRESSAVG: 4541400 0.583316 -36.403 2.31824 -36.403 -40.0723 -15.8828 2.31826 -15.8828 -9.26594 GPRESSAVG: 4541400 -0.13961 -35.3788 1.93195 -36.6521 -40.5954 -18.0476 0.979348 -15.7086 -8.7152 TIMING: 4541400 CPU: 14183.7, 0.00309654/step Wall: 14183.7, 0.00309654/step, 0.394465 hours remaining, 235.910156 MB of memory in use. ENERGY: 4541400 3975.7242 20425.2760 14463.6061 249.2052 -202914.3233 2479.9698 0.0000 0.0000 52091.3684 -109229.1736 299.3698 -161320.5420 -108869.0870 299.2385 -73.3402 -46.4321 763008.3877 -16.2516 -16.4834 PRESSURE: 4541600 -33.6843 152.598 -171.129 152.599 125.503 129.182 -171.129 129.18 16.0336 GPRESSURE: 4541600 -23.426 133.847 -195.57 199.39 136.237 139.312 -205.51 191.956 72.3898 PRESSAVG: 4541600 -13.1821 -40.1702 -4.02201 -40.1703 26.6162 -4.35468 -4.02203 -4.35467 9.59002 GPRESSAVG: 4541600 -12.5593 -41.401 -2.75108 -40.3198 26.8208 -3.00352 -3.74093 -0.811149 9.48172 TIMING: 4541600 CPU: 14184.3, 0.00310787/step Wall: 14184.3, 0.00310787/step, 0.395735 hours remaining, 235.910156 MB of memory in use. ENERGY: 4541600 3985.2035 20417.6675 14522.4354 248.8185 -203535.1500 2822.0960 0.0000 0.0000 52298.6964 -109240.2326 300.5613 -161538.9290 -108880.8808 299.5910 35.9507 61.7335 763479.9059 7.6747 7.9144 PRESSURE: 4541800 -34.3024 17.2345 -112.878 17.235 201.275 76.75 -112.878 76.7502 164.231 GPRESSURE: 4541800 -16.4891 22.2226 -195.083 -19.8209 258.275 50.646 -32.7307 84.5584 186.589 PRESSAVG: 4541800 3.71407 -30.6115 -44.9099 -30.6115 31.1338 -2.19778 -44.9099 -2.19775 -15.3597 GPRESSAVG: 4541800 4.70397 -31.1817 -45.085 -29.9435 30.2425 -2.33459 -43.8014 -4.79343 -14.8741 TIMING: 4541800 CPU: 14185, 0.00310253/step Wall: 14185, 0.00310253/step, 0.394884 hours remaining, 235.910156 MB of memory in use. ENERGY: 4541800 3933.2513 20520.2080 14382.1582 260.1652 -203107.2464 2667.6270 0.0000 0.0000 52070.9118 -109272.9248 299.2522 -161343.8367 -108897.1332 299.4288 110.4012 142.7915 762579.9385 6.4961 6.6908 PRESSURE: 4542000 221.122 -87.2762 -44.0326 -87.2767 -15.3957 -34.407 -44.0316 -34.4064 200.271 GPRESSURE: 4542000 234.251 -165.977 -74.1727 -104.394 21.6514 -66.4249 -4.19088 -66.4104 244.116 PRESSAVG: 4542000 22.6641 -49.7295 -37.2765 -49.7295 -3.85499 -6.05532 -37.2766 -6.05526 31.0456 GPRESSAVG: 4542000 21.6311 -48.6887 -37.2975 -50.1714 -2.86312 -6.49194 -38.8972 -7.79704 31.0018 TIMING: 4542000 CPU: 14185.6, 0.00312173/step Wall: 14185.6, 0.00312173/step, 0.397154 hours remaining, 235.910156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4542000 3934.1111 20457.0447 14322.7025 237.9714 -203311.4061 2876.6192 0.0000 0.0000 51908.3716 -109574.5856 298.3181 -161482.9572 -109210.1411 298.8848 135.3323 166.6728 762197.6877 16.6183 16.5899 PRESSURE: 4542200 -23.4518 23.9103 211.866 23.9103 88.1618 349.149 211.865 349.15 235.395 GPRESSURE: 4542200 106.711 -5.70328 190.681 -30.9998 20.9062 306.745 182.237 424.747 283.947 PRESSAVG: 4542200 37.1455 -12.1203 23.2326 -12.1203 -54.2235 7.88997 23.2326 7.8899 10.5772 GPRESSAVG: 4542200 36.8389 -14.4455 21.2166 -11.8417 -53.9768 8.23793 23.713 9.61223 10.4627 TIMING: 4542200 CPU: 14186.2, 0.00312918/step Wall: 14186.2, 0.00312918/step, 0.397927 hours remaining, 235.910156 MB of memory in use. ENERGY: 4542200 3977.7512 20504.4049 14350.9528 253.2410 -203506.9051 2813.8092 0.0000 0.0000 52432.0431 -109174.7029 301.3277 -161606.7460 -108811.3824 299.3185 100.0349 137.1883 760750.1378 -2.1669 -2.2251 PRESSURE: 4542400 239.056 -89.7552 160.764 -89.7562 129.334 -35.3143 160.765 -35.3147 -334.896 GPRESSURE: 4542400 273.52 -162.085 68.921 -123.772 176.609 20.8686 167.089 103.142 -332.936 PRESSAVG: 4542400 70.4227 -56.9136 -50.5587 -56.9136 -52.2231 62.5168 -50.5587 62.5169 -13.9504 GPRESSAVG: 4542400 71.7564 -54.6277 -50.2507 -58.0036 -52.1062 62.2504 -50.7407 64.3005 -15.5034 TIMING: 4542400 CPU: 14186.8, 0.00309709/step Wall: 14186.8, 0.00309709/step, 0.393675 hours remaining, 235.910156 MB of memory in use. ENERGY: 4542400 4040.4732 20682.1670 14358.7909 255.8962 -202658.5306 2423.2574 0.0000 0.0000 52117.4336 -108780.5122 299.5196 -160897.9458 -108424.3212 299.9613 11.1647 39.0644 762095.9537 1.4164 1.3823 PRESSURE: 4542600 -24.1615 156.964 120.595 156.964 -92.4346 -185.863 120.595 -185.863 -422.479 GPRESSURE: 4542600 -67.7024 112.216 119.347 49.4631 -50.229 -190.891 39.9272 -228.969 -348.038 PRESSAVG: 4542600 38.3112 -34.6985 10.1418 -34.6985 -90.2373 -0.658606 10.1419 -0.65863 3.66918 GPRESSAVG: 4542600 38.3245 -36.4531 10.6225 -33.569 -92.0641 -0.270578 10.8431 -1.4922 5.55709 TIMING: 4542600 CPU: 14187.5, 0.00308592/step Wall: 14187.5, 0.00308592/step, 0.392083 hours remaining, 235.910156 MB of memory in use. ENERGY: 4542600 4084.1461 20479.1718 14500.7122 226.4722 -202814.6742 2413.9964 0.0000 0.0000 52338.9499 -108771.2255 300.7927 -161110.1754 -108409.1270 300.1637 -179.6917 -155.3231 763881.9221 -16.0856 -16.0608 PRESSURE: 4542800 -5.58018 -137.25 -152.479 -137.25 -101.889 90.7483 -152.48 90.7485 -388.216 GPRESSURE: 4542800 34.2272 -215.37 -211.339 -180.729 -100.306 99.7791 -45.1489 -31.5154 -331.744 PRESSAVG: 4542800 -27.4983 -70.8322 31.1121 -70.8322 40.3084 14.9139 31.112 14.9138 -9.10212 GPRESSAVG: 4542800 -27.7372 -69.0409 31.4951 -71.2938 41.4602 14.2702 32.7165 13.3868 -10.3133 TIMING: 4542800 CPU: 14188.1, 0.00311418/step Wall: 14188.1, 0.00311418/step, 0.395501 hours remaining, 235.910156 MB of memory in use. ENERGY: 4542800 3953.1971 20528.4798 14460.3123 252.1381 -202694.4883 2431.8616 0.0000 0.0000 52091.7925 -108976.7068 299.3722 -161068.4993 -108619.9668 300.0354 -165.2283 -132.6077 764188.9256 1.2360 1.1366 PRESSURE: 4543000 -2.00681 -138.672 7.03885 -138.672 -685.339 201.643 7.03903 201.642 -346.06 GPRESSURE: 4543000 -141.702 -47.1167 -108.829 -80.8198 -477.27 68.5762 48.6069 158.235 -322.222 PRESSAVG: 4543000 52.62 -50.6534 7.96054 -50.6535 -68.8092 47.1571 7.96055 47.157 17.9929 GPRESSAVG: 4543000 51.4963 -50.5313 7.42859 -52.2512 -69.7669 46.8866 8.71591 47.1459 20.0548 TIMING: 4543000 CPU: 14188.7, 0.00313208/step Wall: 14188.7, 0.00313208/step, 0.3976 hours remaining, 235.910156 MB of memory in use. ENERGY: 4543000 3922.3186 20443.2123 14425.0064 260.0993 -202449.2726 2355.3831 0.0000 0.0000 51872.5180 -109170.7348 298.1121 -161043.2528 -108810.8014 300.1851 -344.4685 -313.7313 763656.0839 0.6012 0.5947 PRESSURE: 4543200 215.53 -219.347 191.601 -219.347 -200.823 -168.354 191.601 -168.353 40.1943 GPRESSURE: 4543200 179.924 -138.754 210.843 -247.694 -100.265 -98.5056 114.383 -81.8319 25.7565 PRESSAVG: 4543200 32.2696 -66.5451 14.7891 -66.5451 -54.6189 46.1907 14.7891 46.1907 -13.2821 GPRESSAVG: 4543200 31.393 -67.8731 13.6237 -63.8391 -52.86 46.5852 12.9782 48.0278 -14.3792 TIMING: 4543200 CPU: 14189.3, 0.00314717/step Wall: 14189.3, 0.00314717/step, 0.399341 hours remaining, 235.910156 MB of memory in use. ENERGY: 4543200 4000.2051 20427.0753 14423.5838 219.8314 -203076.3418 2709.3492 0.0000 0.0000 52175.8102 -109120.4868 299.8551 -161296.2969 -108749.0102 299.4792 18.3006 35.1383 762975.7853 -11.8771 -11.9487 PRESSURE: 4543400 -77.007 -22.2043 -315.432 -22.2048 -188.755 -220.087 -315.432 -220.087 -299.814 GPRESSURE: 4543400 -49.4123 26.0504 -264.78 -20.7704 -123.625 -267.973 -276.846 -172.206 -324.329 PRESSAVG: 4543400 30.3579 -80.3457 -42.8889 -80.3457 -21.309 -34.8718 -42.8888 -34.8718 -10.3443 GPRESSAVG: 4543400 30.5531 -79.4503 -42.6023 -78.7807 -21.7052 -34.01 -40.7766 -35.7669 -9.68142 TIMING: 4543400 CPU: 14190, 0.00311883/step Wall: 14190, 0.00311883/step, 0.395572 hours remaining, 235.910156 MB of memory in use. ENERGY: 4543400 4047.2471 20492.5482 14431.7481 267.6829 -203135.2925 2790.7848 0.0000 0.0000 52227.7049 -108877.5766 300.1533 -161105.2814 -108518.4908 300.2968 -188.5252 -165.7887 763633.1441 -0.4318 -0.2778 PRESSURE: 4543600 -214.665 -22.9752 -218.215 -22.9755 19.5686 -108.977 -218.214 -108.977 -574.869 GPRESSURE: 4543600 -220.896 -63.8381 -153.374 33.2747 78.6192 -77.1583 -153.058 -221.51 -537.668 PRESSAVG: 4543600 -35.6279 -72.2252 10.0399 -72.2251 53.6243 -16.9212 10.0399 -16.9212 20.3247 GPRESSAVG: 4543600 -34.252 -70.4418 12.0232 -73.8884 53.2457 -18.4408 8.87402 -18.567 19.6392 TIMING: 4543600 CPU: 14190.6, 0.00313576/step Wall: 14190.6, 0.00313576/step, 0.397544 hours remaining, 235.910156 MB of memory in use. ENERGY: 4543600 4009.7448 20504.3199 14505.8570 246.2326 -202785.6676 2369.7395 0.0000 0.0000 52358.8987 -108790.8751 300.9073 -161149.7739 -108430.1811 300.2263 -256.6550 -226.6482 762887.9906 12.7737 12.8776 PRESSURE: 4543800 -22.4078 -76.2159 66.7923 -76.215 154.443 225.944 66.7926 225.944 -99.5176 GPRESSURE: 4543800 3.38982 -78.3279 147.403 -59.2928 187.112 158.832 -45.0326 164.253 -66.0572 PRESSAVG: 4543800 -8.75323 -30.4414 40.4888 -30.4414 28.4225 -29.4993 40.4887 -29.4993 11.4376 GPRESSAVG: 4543800 -8.67793 -32.1899 39.5473 -29.1116 27.894 -28.0034 39.8098 -27.9784 11.7882 TIMING: 4543800 CPU: 14191.2, 0.00311933/step Wall: 14191.2, 0.00311933/step, 0.395288 hours remaining, 235.910156 MB of memory in use. ENERGY: 4543800 3967.7072 20467.3064 14414.7721 236.4455 -202932.7769 2821.3361 0.0000 0.0000 52107.3263 -108917.8832 299.4615 -161025.2096 -108550.2753 300.0988 10.8391 41.4816 762682.1478 10.3690 10.3347 PRESSURE: 4544000 -577.183 123.265 -17.4292 123.266 38.2707 -309.582 -17.4289 -309.581 -393.99 GPRESSURE: 4544000 -484.359 -34.7067 -18.9862 60.1836 -32.1178 -232.63 -6.93888 -346.754 -345.672 PRESSAVG: 4544000 -53.5942 -45.5705 20.5884 -45.5705 33.0894 -11.3178 20.5884 -11.3179 -5.69512 GPRESSAVG: 4544000 -52.8612 -45.8906 20.9426 -48.621 33.2904 -13.3891 19.7769 -11.0451 -6.70699 TIMING: 4544000 CPU: 14191.8, 0.00311511/step Wall: 14191.8, 0.00311511/step, 0.39458 hours remaining, 235.910156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4544000 3994.3491 20769.0592 14485.0815 230.4736 -202880.8746 2502.9584 0.0000 0.0000 51970.8245 -108928.1284 298.6770 -160898.9529 -108573.6161 299.9894 -310.9674 -287.3830 763814.6796 -8.7333 -8.7593 PRESSURE: 4544200 15.1083 -115.54 -57.3664 -115.539 -41.3028 5.39971 -57.3662 5.40039 61.9088 GPRESSURE: 4544200 52.8698 -86.8868 -66.0912 -175.671 -34.5539 11.2498 -12.6032 90.3539 103.05 PRESSAVG: 4544200 -26.8106 -64.3056 13.0373 -64.3055 42.5214 19.2784 13.0374 19.2785 -4.4049 GPRESSAVG: 4544200 -28.3433 -66.2743 11.9776 -62.3424 43.9666 20.6327 13.9009 18.4801 -4.12905 TIMING: 4544200 CPU: 14192.5, 0.00311195/step Wall: 14192.5, 0.00311195/step, 0.394007 hours remaining, 235.910156 MB of memory in use. ENERGY: 4544200 4023.7078 20428.9274 14426.9414 243.4498 -202581.3754 2333.6022 0.0000 0.0000 52272.7055 -108852.0414 300.4120 -161124.7469 -108487.9273 299.9006 11.9048 40.4553 762587.8833 3.7686 3.8314 LDB: ============= START OF LOAD BALANCING ============== 14204.9 LDB: ============== END OF LOAD BALANCING =============== 14204.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14204.9 LDB: ============= START OF LOAD BALANCING ============== 14205.2 LDB: Largest compute 7028 load 0.032423 is 16.6% of average load 0.195408 LDB: Average compute 0.004417 is 2.3% of average load 0.195408 LDB: TIME 14205.2 LOAD: AVG 0.195408 MAX 0.214577 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.52 MB LDB: TIME 14205.2 LOAD: AVG 0.195408 MAX 0.214577 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.52 MB LDB: TIME 14205.2 LOAD: AVG 0.195408 MAX 0.214577 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.52 MB LDB: ============== END OF LOAD BALANCING =============== 14205.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14205.3 PRESSURE: 4544400 84.8577 -165.415 190.75 -165.416 -437.948 29.0851 190.748 29.0842 -67.7675 GPRESSURE: 4544400 119.656 -251.66 142.737 -186.86 -348.396 62.2061 137.829 108.577 -121.301 PRESSAVG: 4544400 15.1991 -75.3822 -12.6868 -75.3822 22.0282 -0.753702 -12.6868 -0.75365 26.7605 GPRESSAVG: 4544400 15.3446 -73.9701 -12.99 -76.6511 21.1438 -1.01618 -10.8018 -0.582904 27.1534 TIMING: 4544400 CPU: 14193.1, 0.00317224/step Wall: 14193.1, 0.00317224/step, 0.401465 hours remaining, 236.605469 MB of memory in use. ENERGY: 4544400 4029.1597 20735.5056 14476.3709 220.1092 -202924.3697 2579.0445 0.0000 0.0000 52206.4582 -108677.7217 300.0312 -160884.1799 -108314.3601 300.3301 -140.2859 -116.6804 762657.8142 21.3292 21.2139 PRESSURE: 4544600 -180.148 -4.09161 14.5386 -4.09123 -16.5225 5.4735 14.5391 5.47245 -263.78 GPRESSURE: 4544600 -27.1129 85.2445 46.8218 -21.1635 -69.4803 -74.5821 29.4764 -48.6717 -266.986 PRESSAVG: 4544600 -15.45 -50.2374 10.5446 -50.2375 -4.8531 -45.8667 10.5446 -45.8666 -10.0104 GPRESSAVG: 4544600 -13.9896 -48.4132 13.0805 -49.7756 -5.3892 -45.8775 8.18407 -46.8017 -10.7754 TIMING: 4544600 CPU: 14193.7, 0.00309434/step Wall: 14193.7, 0.00309434/step, 0.391434 hours remaining, 236.808594 MB of memory in use. ENERGY: 4544600 4060.3930 20514.2482 14441.0106 232.6500 -202796.7262 2654.3708 0.0000 0.0000 52212.1025 -108681.9510 300.0637 -160894.0535 -108313.1312 300.0536 -153.4834 -121.1932 762874.6425 -10.1045 -10.0514 PRESSURE: 4544800 -131.02 101.118 136.619 101.118 -184.182 -24.7067 136.62 -24.7065 -455.584 GPRESSURE: 4544800 -136.708 28.3734 193.795 -32.0857 -149.639 -55.2282 140.994 43.4205 -406.804 PRESSAVG: 4544800 -3.76814 -55.0461 -7.82728 -55.0461 -7.17884 -37.9133 -7.82729 -37.9133 -16.9734 GPRESSAVG: 4544800 -5.59142 -56.2134 -9.49847 -55.4383 -5.09971 -37.3034 -6.55517 -39.6721 -16.815 TIMING: 4544800 CPU: 14194.3, 0.00309029/step Wall: 14194.3, 0.00309029/step, 0.39075 hours remaining, 236.808594 MB of memory in use. ENERGY: 4544800 4041.7497 20692.9792 14493.6548 258.4752 -203367.5292 2747.7487 0.0000 0.0000 52545.3585 -108587.5631 301.9789 -161132.9216 -108224.6214 300.4177 -256.9286 -231.0504 762978.2148 -9.3068 -9.1687 PRESSURE: 4545000 -37.0416 -102.901 -285.068 -102.901 424.909 42.2917 -285.068 42.2914 -52.614 GPRESSURE: 4545000 -26.7349 -160.551 -192.87 -53.5751 382.567 55.7072 -310.179 29.269 49.8073 PRESSAVG: 4545000 -61.6306 -69.4447 18.888 -69.4447 11.4979 -61.8693 18.888 -61.8693 -1.0457 GPRESSAVG: 4545000 -60.3719 -69.25 18.6411 -68.608 10.8804 -60.5515 18.7513 -60.5808 -1.34058 TIMING: 4545000 CPU: 14194.9, 0.00310117/step Wall: 14194.9, 0.00310117/step, 0.391953 hours remaining, 236.808594 MB of memory in use. ENERGY: 4545000 4030.4281 20593.0431 14442.5344 250.9334 -202588.3818 2469.5452 0.0000 0.0000 52107.2369 -108694.6608 299.4610 -160801.8977 -108335.4828 300.5511 111.7512 135.2132 763601.8772 -17.0595 -16.9440 PRESSURE: 4545200 227.698 -134.396 -193.021 -134.397 -182.29 -45.3688 -193.021 -45.369 159.761 GPRESSURE: 4545200 192.584 -119.796 -153.18 -136.749 -132.234 -57.5642 -119.71 -43.6026 226.373 PRESSAVG: 4545200 14.6053 -58.3452 -14.1152 -58.3452 11.024 -54.0743 -14.1152 -54.0743 13.5375 GPRESSAVG: 4545200 15.0184 -57.4217 -14.8971 -59.8899 9.97539 -55.1249 -12.6583 -53.8379 13.8054 TIMING: 4545200 CPU: 14195.6, 0.00308091/step Wall: 14195.6, 0.00308091/step, 0.389222 hours remaining, 236.808594 MB of memory in use. ENERGY: 4545200 3978.3038 20647.0332 14435.3790 266.6499 -203468.7702 3105.2894 0.0000 0.0000 52255.4444 -108780.6704 300.3128 -161036.1148 -108417.3064 300.3518 68.3896 95.5745 764239.8273 13.0556 12.9331 PRESSURE: 4545400 -344.1 -150.586 -126.567 -150.586 -70.7397 125.157 -126.567 125.158 -252.303 GPRESSURE: 4545400 -208.655 -167.455 -20.9121 -119.948 -55.907 85.8615 -183.414 222.114 -296.907 PRESSAVG: 4545400 -49.2104 -87.0809 -59.0766 -87.081 13.5654 14.6439 -59.0766 14.6439 -16.6553 GPRESSAVG: 4545400 -50.3759 -88.0978 -57.4272 -86.9725 15.4471 13.5199 -60.793 15.3424 -16.6538 TIMING: 4545400 CPU: 14196.2, 0.00309561/step Wall: 14196.2, 0.00309561/step, 0.390906 hours remaining, 236.808594 MB of memory in use. ENERGY: 4545400 4011.0377 20616.6932 14475.4583 240.0825 -203351.5611 2776.5514 0.0000 0.0000 52289.6236 -108942.1144 300.5092 -161231.7380 -108580.2820 300.4144 -222.3811 -187.1565 763224.6463 -17.4334 -17.1942 PRESSURE: 4545600 -72.6798 289.84 -36.687 289.841 -124.504 179.948 -36.686 179.949 -221.744 GPRESSURE: 4545600 -34.9626 200.278 -86.0769 175.964 -38.7297 148.455 111.049 213.515 -241.617 PRESSAVG: 4545600 -20.8446 -42.9917 40.4172 -42.9917 33.4853 35.1486 40.4173 35.1486 8.3841 GPRESSAVG: 4545600 -18.6463 -43.7761 40.6631 -41.1879 32.4623 34.6699 39.965 36.0389 7.33995 TIMING: 4545600 CPU: 14196.8, 0.0031018/step Wall: 14196.8, 0.0031018/step, 0.391517 hours remaining, 236.808594 MB of memory in use. ENERGY: 4545600 4004.1210 20449.8133 14509.0157 266.3070 -202794.8019 2357.5475 0.0000 0.0000 52094.1034 -109113.8938 299.3855 -161207.9972 -108744.1068 299.2065 -139.6424 -105.1032 764130.7877 7.0083 7.0520 PRESSURE: 4545800 169.745 242.867 225.958 242.865 193.004 255.044 225.957 255.045 -185.505 GPRESSURE: 4545800 229.238 230.895 174.212 230.332 163.739 187.769 172.987 201.499 -135.155 PRESSAVG: 4545800 20.4704 0.0346481 -11.3408 0.0346952 19.5339 -30.9904 -11.3408 -30.9904 2.8731 GPRESSAVG: 4545800 20.6298 2.62863 -13.6566 1.54506 18.7633 -31.3449 -8.89403 -29.9581 3.5451 TIMING: 4545800 CPU: 14197.4, 0.00309216/step Wall: 14197.4, 0.00309216/step, 0.390128 hours remaining, 236.808594 MB of memory in use. ENERGY: 4545800 3990.4550 20507.9678 14441.5261 256.7944 -203313.7887 2915.4228 0.0000 0.0000 52064.7081 -109136.9144 299.2166 -161201.6226 -108776.1804 299.1816 59.0811 85.9406 761399.7417 14.2925 14.3127 PRESSURE: 4546000 -140.211 -183.54 90.7739 -183.539 31.9411 -117.371 90.7731 -117.371 80.4913 GPRESSURE: 4546000 -89.6633 -220.681 63.6881 -180.041 77.7407 -151.189 290.978 -52.8871 59.1828 PRESSAVG: 4546000 -40.7971 -28.5513 11.4939 -28.5513 36.0147 7.77065 11.4939 7.77063 -6.94145 GPRESSAVG: 4546000 -41.6862 -30.9503 14.2908 -30.1373 37.134 9.38495 8.01918 7.70795 -7.00816 TIMING: 4546000 CPU: 14198, 0.0030959/step Wall: 14198, 0.0030959/step, 0.390427 hours remaining, 236.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4546000 3985.5270 20570.0377 14452.1704 260.4682 -203088.0329 2703.1645 0.0000 0.0000 51947.3654 -109169.2998 298.5422 -161116.6652 -108809.8361 299.3434 -9.2594 15.7534 762820.3109 -3.9080 -3.8535 PRESSURE: 4546200 203.204 -268.836 -72.3869 -268.835 -24.1895 119.307 -72.3872 119.306 339.737 GPRESSURE: 4546200 168.423 -265.229 -182.962 -201.529 52.1679 87.4536 -46.9189 49.7156 391.581 PRESSAVG: 4546200 -23.2229 -112.923 -23.6221 -112.923 44.5237 13.0642 -23.6222 13.0642 14.8185 GPRESSAVG: 4546200 -22.9884 -112.348 -25.2097 -114.696 44.1284 13.6858 -22.2134 10.3785 15.3062 TIMING: 4546200 CPU: 14198.7, 0.00310205/step Wall: 14198.7, 0.00310205/step, 0.391031 hours remaining, 236.808594 MB of memory in use. ENERGY: 4546200 3945.3048 20617.9219 14428.6505 264.2633 -203431.9445 2813.7596 0.0000 0.0000 52094.5633 -109267.4810 299.3882 -161362.0443 -108906.3229 299.3628 172.9173 204.0570 764871.5727 12.0397 12.1487 PRESSURE: 4546400 -223.272 -156.342 -31.6575 -156.341 100.149 -25.2275 -31.6567 -25.2275 231.432 GPRESSURE: 4546400 -160.297 -177.106 -66.652 -23.0037 136.692 -50.4856 -85.1392 67.9309 215.095 PRESSAVG: 4546400 -41.7535 -1.23161 47.3936 -1.2316 11.6638 -33.7264 47.3937 -33.7263 -25.1696 GPRESSAVG: 4546400 -41.3706 3.09429 47.7781 -0.316887 11.2729 -34.4149 46.2149 -33.6179 -25.0967 TIMING: 4546400 CPU: 14199.3, 0.0031033/step Wall: 14199.3, 0.0031033/step, 0.391016 hours remaining, 236.808594 MB of memory in use. ENERGY: 4546400 4008.6534 20470.7458 14421.3893 229.2734 -203138.5179 2633.5691 0.0000 0.0000 52089.7955 -109285.0914 299.3608 -161374.8870 -108912.2380 299.2722 36.1031 63.8302 761491.7162 -18.4198 -18.3982 PRESSURE: 4546600 103.619 -106.565 158.769 -106.566 -153.664 -123.01 158.77 -123.009 -1.55637 GPRESSURE: 4546600 76.3873 -81.0233 114.227 -21.9356 -41.5565 -116.558 118.845 31.8237 -1.49793 PRESSAVG: 4546600 18.1566 -39.0221 36.4334 -39.0221 18.7513 9.8906 36.4334 9.89054 2.98287 GPRESSAVG: 4546600 18.0573 -43.3341 35.8513 -37.6659 19.4182 10.6237 37.5199 11.4609 1.76777 TIMING: 4546600 CPU: 14199.9, 0.0030915/step Wall: 14199.9, 0.0030915/step, 0.389358 hours remaining, 236.808594 MB of memory in use. ENERGY: 4546600 3931.4926 20529.6396 14387.8954 270.2469 -203277.8074 2675.9159 0.0000 0.0000 52253.9470 -109228.6700 300.3042 -161482.6170 -108865.7578 299.6427 -17.2006 11.1110 761871.7221 13.2969 13.0811 PRESSURE: 4546800 57.0475 -112.776 -116.385 -112.777 30.4726 28.5587 -116.385 28.5597 -149.322 GPRESSURE: 4546800 -21.8807 -176.901 -261.489 33.0111 147.026 48.0942 -74.3918 58.6055 -97.9314 PRESSAVG: 4546800 -56.9161 -54.4432 -32.3905 -54.4433 15.7472 17.285 -32.3904 17.2851 1.80596 GPRESSAVG: 4546800 -57.7484 -53.8016 -34.4347 -54.8528 17.0963 15.6899 -30.6852 19.0757 1.15518 TIMING: 4546800 CPU: 14200.5, 0.00312033/step Wall: 14200.5, 0.00312033/step, 0.392814 hours remaining, 236.808594 MB of memory in use. ENERGY: 4546800 4005.8388 20493.8087 14370.0652 243.5496 -203420.7461 3037.3485 0.0000 0.0000 52041.7417 -109228.3936 299.0846 -161270.1353 -108872.1232 299.6725 -20.6007 9.0713 763188.7629 -13.1210 -13.1656 PRESSURE: 4547000 -144.966 88.4813 -90.2027 88.4813 -28.9401 61.7923 -90.2029 61.7924 175.226 GPRESSURE: 4547000 -19.4362 88.5589 -108.926 208.047 12.5597 54.0884 -56.1568 102.27 96.7773 PRESSAVG: 4547000 -29.6342 -26.9117 -42.4324 -26.9117 51.0367 13.06 -42.4324 13.06 -2.32953 GPRESSAVG: 4547000 -28.3719 -27.1984 -41.6441 -28.2153 49.6892 12.5147 -42.0285 10.4379 -2.61981 TIMING: 4547000 CPU: 14201.1, 0.00311933/step Wall: 14201.1, 0.00311933/step, 0.392515 hours remaining, 236.808594 MB of memory in use. ENERGY: 4547000 4021.2830 20469.4947 14475.6959 217.1961 -203108.8548 2528.0614 0.0000 0.0000 52333.0303 -109064.0934 300.7586 -161397.1238 -108696.5155 299.4027 0.4399 29.9669 761791.8925 6.3577 6.2325 PRESSURE: 4547200 100.278 -208.487 -47.4274 -208.487 122.113 96.3167 -47.4275 96.3165 -340.775 GPRESSURE: 4547200 148.165 -119.626 -91.1292 -244.209 156.182 135.159 38.7057 96.2667 -354.584 PRESSAVG: 4547200 0.270159 -54.2733 -6.28832 -54.2732 1.5153 7.47032 -6.28831 7.47037 -10.5389 GPRESSAVG: 4547200 0.129552 -53.334 -6.13807 -53.876 0.88999 7.29408 -7.53913 9.12607 -10.0237 TIMING: 4547200 CPU: 14201.8, 0.00311089/step Wall: 14201.8, 0.00311089/step, 0.391281 hours remaining, 236.808594 MB of memory in use. ENERGY: 4547200 3991.4362 20598.7939 14432.0825 254.3846 -203052.0755 2639.2424 0.0000 0.0000 52198.1770 -108937.9589 299.9836 -161136.1359 -108586.8437 300.0279 -39.4615 -16.7453 761461.2816 -2.9178 -3.0014 PRESSURE: 4547400 -108.089 28.806 -47.3808 28.8066 87.9688 -60.058 -47.3806 -60.0584 -180.493 GPRESSURE: 4547400 -127.237 35.9696 38.7144 71.0538 116.66 -15.3331 -98.265 10.4721 -126.499 PRESSAVG: 4547400 -6.15376 -17.2237 17.6802 -17.2237 48.7778 -39.9138 17.6802 -39.9138 12.8713 GPRESSAVG: 4547400 -6.35138 -15.51 18.4895 -17.299 49.2945 -38.7314 19.9161 -42.7339 12.5271 TIMING: 4547400 CPU: 14202.4, 0.003117/step Wall: 14202.4, 0.003117/step, 0.391876 hours remaining, 236.808594 MB of memory in use. ENERGY: 4547400 3942.7714 20715.8354 14468.1312 253.4542 -203229.3373 2716.7208 0.0000 0.0000 52107.1546 -109025.2699 299.4605 -161132.4245 -108671.4292 299.9997 -66.8713 -45.6921 762178.1409 18.4984 18.4901 PRESSURE: 4547600 48.6621 211.774 -157.44 211.774 -135.456 92.514 -157.44 92.5145 -34.1215 GPRESSURE: 4547600 116.974 209.552 -124.418 184.76 -116.332 173.73 -173.575 119.849 -26.7773 PRESSAVG: 4547600 3.00045 37.7141 24.3174 37.7141 -13.4181 -26.9116 24.3174 -26.9115 9.83711 GPRESSAVG: 4547600 3.90522 33.513 26.1429 39.4506 -14.061 -27.5639 21.3981 -23.6025 10.2374 TIMING: 4547600 CPU: 14203, 0.00312636/step Wall: 14203, 0.00312636/step, 0.392879 hours remaining, 236.808594 MB of memory in use. ENERGY: 4547600 3974.2330 20542.6964 14451.4507 243.5005 -203205.0202 2799.3309 0.0000 0.0000 52364.1282 -108829.6805 300.9374 -161193.8088 -108467.3606 300.2518 -40.3053 -8.7116 764182.5870 -0.1935 0.0272 PRESSURE: 4547800 -416.998 50.5026 110.202 50.5023 80.5884 107.589 110.202 107.589 21.5907 GPRESSURE: 4547800 -405.631 -121.958 88.4438 20.5404 96.8695 188.122 105.848 33.8546 88.7482 PRESSAVG: 4547800 27.3795 -50.214 -51.2112 -50.214 -71.0862 -48.3688 -51.2112 -48.3688 -5.90672 GPRESSAVG: 4547800 25.1181 -50.7724 -53.1932 -50.5395 -71.0363 -47.8248 -50.0838 -50.1577 -3.77266 TIMING: 4547800 CPU: 14203.6, 0.00310161/step Wall: 14203.6, 0.00310161/step, 0.389597 hours remaining, 236.808594 MB of memory in use. ENERGY: 4547800 4055.6616 20468.2538 14446.8670 234.2686 -202750.1262 2726.6340 0.0000 0.0000 52234.1327 -108584.3085 300.1903 -160818.4412 -108214.0606 300.3897 -104.9395 -73.3378 764266.6141 -16.5378 -16.5636 PRESSURE: 4548000 -163.952 -330.399 -31.2945 -330.399 -171.362 -275.123 -31.2938 -275.123 -241.094 GPRESSURE: 4548000 -55.9394 -299.865 -49.8997 -264.973 -205.369 -279.369 -78.5911 -158.667 -217.238 PRESSAVG: 4548000 6.68091 -72.3192 -21.7693 -72.3193 -13.6473 -2.86963 -21.7693 -2.86958 1.51848 GPRESSAVG: 4548000 8.28108 -68.2214 -20.4835 -75.2872 -13.3676 -4.01813 -22.7795 -0.488414 -0.482867 TIMING: 4548000 CPU: 14204.3, 0.00310553/step Wall: 14204.3, 0.00310553/step, 0.389916 hours remaining, 236.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4548000 4009.1102 20567.7957 14382.0970 261.2134 -202646.5086 2482.5786 0.0000 0.0000 52432.4769 -108511.2367 301.3302 -160943.7136 -108149.8347 300.6303 -192.1361 -159.5154 764793.0467 -1.8160 -1.8565 PRESSURE: 4548200 -171.245 -166.906 37.4584 -166.906 -18.81 140.533 37.4585 140.532 -210.296 GPRESSURE: 4548200 -243.22 -201.81 24.3868 -56.1072 88.6612 58.9994 -9.02312 101.07 -162.568 PRESSAVG: 4548200 -56.7355 -15.7141 -24.6572 -15.7141 68.0261 4.67545 -24.6573 4.67551 -11.2032 GPRESSAVG: 4548200 -57.2676 -15.3663 -27.3268 -14.0294 68.9968 5.86571 -24.1757 1.97821 -11.9942 TIMING: 4548200 CPU: 14204.9, 0.00311404/step Wall: 14204.9, 0.00311404/step, 0.390812 hours remaining, 236.808594 MB of memory in use. ENERGY: 4548200 4017.5882 20672.7209 14368.7831 255.4044 -202874.1191 2742.5592 0.0000 0.0000 52325.3022 -108491.7611 300.7142 -160817.0633 -108125.1658 300.9733 -133.4504 -105.7089 765285.7277 0.0291 -0.0883 LDB: ============= START OF LOAD BALANCING ============== 14217.4 LDB: ============== END OF LOAD BALANCING =============== 14217.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14217.4 LDB: ============= START OF LOAD BALANCING ============== 14217.7 LDB: Largest compute 7027 load 0.033253 is 17.0% of average load 0.195329 LDB: Average compute 0.004408 is 2.3% of average load 0.195329 LDB: TIME 14217.7 LOAD: AVG 0.195329 MAX 0.2181 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.262 MB LDB: TIME 14217.7 LOAD: AVG 0.195329 MAX 0.2181 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.262 MB LDB: TIME 14217.7 LOAD: AVG 0.195329 MAX 0.21779 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.262 MB LDB: ============== END OF LOAD BALANCING =============== 14217.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14217.7 PRESSURE: 4548400 -200.559 -52.7434 291.389 -52.7437 -237.146 -18.373 291.388 -18.3735 -112.004 GPRESSURE: 4548400 -122.358 -12.0169 295.641 -71.2893 -245.219 -35.7086 275.203 53.4439 -98.8615 PRESSAVG: 4548400 -28.8463 -47.154 -2.80837 -47.154 7.41426 15.1574 -2.80845 15.1575 31.8449 GPRESSAVG: 4548400 -29.8379 -47.9813 -0.927099 -46.1997 7.31212 14.9408 -2.80608 16.9703 33.1024 TIMING: 4548400 CPU: 14205.5, 0.00317729/step Wall: 14205.5, 0.00317729/step, 0.398573 hours remaining, 234.773438 MB of memory in use. ENERGY: 4548400 4055.4930 20835.1861 14416.1313 233.5276 -203118.2543 2663.0880 0.0000 0.0000 52160.2631 -108754.5652 299.7657 -160914.8283 -108403.2391 300.8524 -183.2365 -155.4795 765465.2859 3.4709 3.5255 PRESSURE: 4548600 104.048 -295.11 125.249 -295.11 119.814 -280.237 125.249 -280.238 469.247 GPRESSURE: 4548600 102.507 -268.139 128.634 -263.582 165.946 -260.873 87.5587 -181.488 524.429 PRESSAVG: 4548600 2.59926 -25.6962 -1.17728 -25.6963 -31.7487 -38.3207 -1.17732 -38.3206 8.16076 GPRESSAVG: 4548600 3.54069 -28.0686 -1.53058 -26.2533 -32.1047 -38.8943 -1.01076 -38.8549 8.21558 TIMING: 4548600 CPU: 14206.1, 0.0031103/step Wall: 14206.1, 0.0031103/step, 0.389997 hours remaining, 235.230469 MB of memory in use. ENERGY: 4548600 3953.7652 20559.9654 14401.3130 255.2283 -203490.3820 3123.0057 0.0000 0.0000 52601.1626 -108595.9419 302.2996 -161197.1045 -108236.8695 300.8802 231.0365 264.2938 762926.9581 -6.9962 -6.7828 PRESSURE: 4548800 184.422 -20.9747 55.2851 -20.9746 80.3217 49.9409 55.2841 49.9409 -72.0644 GPRESSURE: 4548800 109.554 15.4617 22.1724 -64.6757 174.078 2.72848 140.973 138.457 -29.6773 PRESSAVG: 4548800 -15.1082 -9.42635 27.0898 -9.42635 9.38542 -29.2442 27.0898 -29.2442 14.9476 GPRESSAVG: 4548800 -15.7136 -7.73481 27.5302 -8.43998 10.653 -29.0519 25.4663 -30.1344 13.7848 TIMING: 4548800 CPU: 14206.8, 0.00309345/step Wall: 14206.8, 0.00309345/step, 0.387713 hours remaining, 235.230469 MB of memory in use. ENERGY: 4548800 3991.9603 20431.2421 14507.4357 245.2386 -203062.5977 2777.6746 0.0000 0.0000 52399.4529 -108709.5936 301.1404 -161109.0465 -108345.7753 300.6529 64.2264 84.6516 763914.1319 3.0749 2.9081 PRESSURE: 4549000 -305.839 217.483 -19.4692 217.483 -358.494 -198.487 -19.469 -198.487 -182.187 GPRESSURE: 4549000 -338.352 99.0936 -4.20884 171.415 -376.379 -95.662 206.438 -239.687 -50.4178 PRESSAVG: 4549000 6.17726 36.4789 27.8461 36.4789 -5.43527 24.0467 27.8461 24.0466 -8.65655 GPRESSAVG: 4549000 6.31695 34.3128 28.2769 35.7718 -7.03706 23.2895 29.168 25.6194 -7.00993 TIMING: 4549000 CPU: 14207.4, 0.00309669/step Wall: 14207.4, 0.00309669/step, 0.387947 hours remaining, 235.289062 MB of memory in use. ENERGY: 4549000 3968.1226 20573.6852 14372.8301 249.0308 -202695.4295 2485.9306 0.0000 0.0000 52292.2067 -108753.6235 300.5240 -161045.8301 -108396.1695 300.8005 -282.1736 -255.0495 764114.1930 -2.6382 -2.5767 PRESSURE: 4549200 -47.5064 -186.596 -258.75 -186.597 -190.47 28.5698 -258.751 28.5703 -92.4313 GPRESSURE: 4549200 -94.2915 -72.7259 -296.055 -99.8849 -86.1556 26.125 -228.203 -9.93256 -60.7268 PRESSAVG: 4549200 -51.6298 24.599 -18.3945 24.599 57.543 25.336 -18.3946 25.336 9.6489 GPRESSAVG: 4549200 -52.3732 26.1206 -19.8931 24.8659 59.1671 27.7187 -19.7792 23.0588 9.35067 TIMING: 4549200 CPU: 14208, 0.00310131/step Wall: 14208, 0.00310131/step, 0.388353 hours remaining, 235.289062 MB of memory in use. ENERGY: 4549200 3916.8951 20650.8140 14424.5074 248.7214 -202490.8894 2434.1801 0.0000 0.0000 52248.7287 -108567.0428 300.2742 -160815.7715 -108205.7855 300.6163 -110.1358 -80.3913 763372.3626 5.1874 5.3815 PRESSURE: 4549400 62.1421 -144.553 -59.9001 -144.553 -236.071 -9.12998 -59.8995 -9.12981 89.8667 GPRESSURE: 4549400 120.631 -142.37 -103.239 -43.2001 -254.926 -139.946 58.5125 -4.52477 132.522 PRESSAVG: 4549400 -32.9448 4.06732 19.5267 4.06736 24.7451 15.3278 19.5267 15.3278 2.51646 GPRESSAVG: 4549400 -32.2074 5.18486 19.885 4.89746 24.3487 11.6352 18.9476 16.4909 2.21329 TIMING: 4549400 CPU: 14208.6, 0.00309705/step Wall: 14208.6, 0.00309705/step, 0.387647 hours remaining, 235.289062 MB of memory in use. ENERGY: 4549400 3937.6376 20621.3094 14424.4523 235.5538 -202717.8848 2514.9719 0.0000 0.0000 52160.2080 -108823.7519 299.7654 -160983.9599 -108469.4708 299.8690 -28.0206 -0.5909 765527.4532 -1.8944 -1.8818 PRESSURE: 4549600 -513.52 32.6953 -35.699 32.6956 41.1615 -79.2611 -35.6996 -79.262 -104.349 GPRESSURE: 4549600 -461.021 19.361 -55.661 -11.5976 75.4977 -31.775 -115.599 56.8981 -91.7299 PRESSAVG: 4549600 16.9028 -45.2292 -22.036 -45.2291 25.2786 -56.2399 -22.036 -56.24 18.6272 GPRESSAVG: 4549600 16.473 -47.6052 -22.5804 -45.6638 24.5121 -53.4608 -21.273 -56.8801 19.4387 TIMING: 4549600 CPU: 14209.2, 0.00310846/step Wall: 14209.2, 0.00310846/step, 0.388903 hours remaining, 235.289062 MB of memory in use. ENERGY: 4549600 3971.6796 20529.9743 14488.1474 240.7828 -202763.9006 2427.1956 0.0000 0.0000 52257.9510 -108848.1699 300.3272 -161106.1209 -108488.3373 299.8247 -192.2356 -159.0844 762937.1387 20.2695 20.1412 PRESSURE: 4549800 5.28862 5.29407 -16.683 5.29442 -131.524 -99.2848 -16.6827 -99.2838 287.272 GPRESSURE: 4549800 33.3974 -135.5 -143.164 -28.8214 -49.0222 -159.292 -97.0784 -67.2508 258.914 PRESSAVG: 4549800 42.6266 -57.4497 29.2464 -57.4496 -8.93204 4.60623 29.2465 4.60624 13.3733 GPRESSAVG: 4549800 43.384 -57.1484 30.5682 -57.6479 -8.95672 2.8149 29.5929 6.1079 12.8779 TIMING: 4549800 CPU: 14209.9, 0.00309706/step Wall: 14209.9, 0.00309706/step, 0.387305 hours remaining, 235.300781 MB of memory in use. ENERGY: 4549800 3869.6567 20447.6541 14550.0463 244.6473 -203662.3356 2972.5776 0.0000 0.0000 52550.2919 -109027.4617 302.0072 -161577.7536 -108661.1934 299.9037 53.6787 81.0966 761456.6408 15.6893 15.7684 PRESSURE: 4550000 153.128 -97.0598 -51.3287 -97.0593 -54.57 88.3376 -51.3286 88.3385 -264.194 GPRESSURE: 4550000 102.373 -136.216 -9.7785 -44.4796 -11.6796 164.494 86.3416 128.233 -180.428 PRESSAVG: 4550000 49.1237 -100.538 33.6887 -100.538 -70.4963 -5.72727 33.6887 -5.72741 1.91864 GPRESSAVG: 4550000 48.213 -99.221 33.3135 -101.09 -70.9811 -4.68984 32.9467 -7.0127 3.54993 TIMING: 4550000 CPU: 14210.5, 0.00309937/step Wall: 14210.5, 0.00309937/step, 0.387421 hours remaining, 235.300781 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: 4550000 3975.0740 20518.8077 14516.4861 249.7989 -203056.5467 2637.8132 0.0000 0.0000 52163.9537 -108994.6131 299.7870 -161158.5668 -108638.0370 299.7949 -55.2122 -29.9116 761910.5747 -6.4847 -6.4060 PRESSURE: 4550200 55.96 -147.307 161.098 -147.306 -183.668 220.389 161.098 220.39 35.3788 GPRESSURE: 4550200 58.8858 -122.859 105.643 -86.2526 -168.424 155.786 144.399 293.354 96.8234 PRESSAVG: 4550200 -21.0441 15.1973 23.11 15.1973 23.5069 17.2251 23.11 17.2251 -1.25415 GPRESSAVG: 4550200 -20.1266 14.5172 22.7139 15.6816 23.7112 17.8091 22.9055 19.0037 -2.22662 TIMING: 4550200 CPU: 14211.1, 0.00308839/step Wall: 14211.1, 0.00308839/step, 0.385877 hours remaining, 235.289062 MB of memory in use. ENERGY: 4550200 3923.7783 20612.7137 14435.1592 234.2462 -203372.9727 2988.3515 0.0000 0.0000 51960.6749 -109218.0491 298.6187 -161178.7239 -108862.5143 299.6694 -30.7763 -4.2384 761264.4018 0.4029 0.4527 PRESSURE: 4550400 -155.173 -104.132 59.6284 -104.132 -248.963 184.529 59.6284 184.529 -75.7623 GPRESSURE: 4550400 -48.5524 -149.735 -5.75098 -56.1897 -208.698 167.245 162.502 131.852 -136.789 PRESSAVG: 4550400 23.2366 6.29995 47.774 6.29997 -34.7269 -10.2736 47.774 -10.2735 -8.16017 GPRESSAVG: 4550400 23.8726 7.51896 46.7363 5.74644 -35.8147 -10.1671 48.4801 -11.7319 -7.92285 TIMING: 4550400 CPU: 14211.7, 0.00308387/step Wall: 14211.7, 0.00308387/step, 0.385142 hours remaining, 235.289062 MB of memory in use. ENERGY: 4550400 3921.3760 20469.8075 14475.3626 220.9230 -203016.0680 2716.8089 0.0000 0.0000 52175.8354 -109035.9546 299.8552 -161211.7900 -108666.1603 299.5883 -159.9662 -131.3465 761936.3306 -6.5502 -6.6217 PRESSURE: 4550600 32.6184 -78.8251 -91.1412 -78.8252 -190.401 3.07857 -91.1423 3.07988 143.756 GPRESSURE: 4550600 69.1195 -123.847 -60.8413 -79.8241 -203.634 -12.8157 -103.716 -32.1649 199.04 PRESSAVG: 4550600 -0.424049 6.71378 3.27752 6.71378 -15.7062 28.7191 3.27751 28.7191 0.833147 GPRESSAVG: 4550600 -0.390386 4.81524 6.30706 8.74669 -14.9407 26.5854 3.03796 28.5397 0.1754 TIMING: 4550600 CPU: 14212.3, 0.00308107/step Wall: 14212.3, 0.00308107/step, 0.38462 hours remaining, 235.289062 MB of memory in use. ENERGY: 4550600 3993.5638 20466.5788 14482.3304 252.0059 -202774.6469 2548.8255 0.0000 0.0000 52224.3243 -108807.0182 300.1339 -161031.3425 -108447.1715 300.2270 -4.6754 21.5085 762931.0755 -5.0990 -5.0519 PRESSURE: 4550800 -28.1791 -9.67209 -31.6521 -9.67252 167.49 -105.139 -31.6525 -105.139 20.9701 GPRESSURE: 4550800 72.1405 78.9846 -109.434 -46.0937 241.278 -113.196 37.6644 -89.1268 -71.8661 PRESSAVG: 4550800 -6.47536 -4.87389 16.1551 -4.87385 -13.8932 -2.84198 16.155 -2.84196 19.8095 GPRESSAVG: 4550800 -6.62463 -5.56246 14.1612 -5.39797 -14.1232 -1.26167 17.3242 -1.7962 19.2521 TIMING: 4550800 CPU: 14212.9, 0.0030935/step Wall: 14212.9, 0.0030935/step, 0.386 hours remaining, 235.289062 MB of memory in use. ENERGY: 4550800 3902.8468 20613.2550 14459.7593 250.4294 -203041.0029 2662.5299 0.0000 0.0000 52113.0815 -109039.1009 299.4946 -161152.1824 -108679.3160 299.9949 53.4271 80.5174 762314.2392 -0.1864 -0.4986 PRESSURE: 4551000 -292.162 -112.147 -15.4758 -112.148 -99.5547 -89.3256 -15.4756 -89.3255 75.4665 GPRESSURE: 4551000 -166.891 17.881 56.2091 12.2561 -145.528 -27.1998 99.6497 -212.276 101.991 PRESSAVG: 4551000 -35.3867 -2.81527 -30.9416 -2.81518 27.2896 -6.92455 -30.9416 -6.92454 -5.16344 GPRESSAVG: 4551000 -36.6476 -1.40323 -29.8667 -2.60882 27.9801 -7.49159 -32.4491 -5.03297 -4.1097 TIMING: 4551000 CPU: 14213.6, 0.00309179/step Wall: 14213.6, 0.00309179/step, 0.385615 hours remaining, 235.289062 MB of memory in use. ENERGY: 4551000 3954.0694 20505.7487 14459.7107 254.3432 -202937.2722 2567.5162 0.0000 0.0000 52170.0633 -109025.8206 299.8221 -161195.8840 -108662.8078 299.7210 -105.4167 -70.1429 763962.5116 -4.4202 -4.2591 PRESSURE: 4551200 7.4791 68.2976 -39.8402 68.2977 82.7839 30.0738 -39.8396 30.0739 118.548 GPRESSURE: 4551200 30.7008 104.25 -109.46 -61.2378 88.8678 8.11104 -96.0391 35.0223 169.059 PRESSAVG: 4551200 -9.52535 -9.79642 -4.65004 -9.79635 -1.34146 -50.0597 -4.65002 -50.0597 4.10737 GPRESSAVG: 4551200 -7.38911 -9.51948 -3.24606 -10.3933 -1.86268 -49.5692 -3.60515 -51.7034 3.1017 TIMING: 4551200 CPU: 14214.2, 0.0031056/step Wall: 14214.2, 0.0031056/step, 0.387165 hours remaining, 235.289062 MB of memory in use. ENERGY: 4551200 3947.5015 20534.7972 14389.6040 242.3403 -202791.7024 2317.1339 0.0000 0.0000 52161.2869 -109199.0385 299.7716 -161360.3255 -108821.9403 299.1762 69.6036 96.2091 761545.8577 -2.2531 -2.0500 PRESSURE: 4551400 255.62 -61.3736 103.351 -61.3734 85.8595 111.485 103.351 111.484 79.0946 GPRESSURE: 4551400 256.815 -28.0859 171.244 -1.59471 194.861 102.881 304.667 70.2243 56.9116 PRESSAVG: 4551400 13.3327 -37.6363 4.11343 -37.6362 2.3456 48.3139 4.11342 48.3138 -11.4232 GPRESSAVG: 4551400 12.4612 -38.0504 2.99358 -37.9462 2.43549 47.2433 2.79944 49.3215 -10.4679 TIMING: 4551400 CPU: 14214.8, 0.0031184/step Wall: 14214.8, 0.0031184/step, 0.388587 hours remaining, 235.289062 MB of memory in use. ENERGY: 4551400 3928.1226 20642.0413 14409.2949 257.6867 -203292.6212 2840.2944 0.0000 0.0000 52095.9093 -109119.2719 299.3959 -161215.1813 -108767.1125 299.4809 140.1915 169.5292 761634.8918 1.4184 1.4762 PRESSURE: 4551600 235.311 129.377 43.4529 129.377 270.91 -11.923 43.4542 -11.9234 177.76 GPRESSURE: 4551600 318.22 159.591 63.5379 184.858 240.241 51.6733 49.5801 54.844 206.851 PRESSAVG: 4551600 3.03134 16.2105 8.70827 16.2105 -24.4263 59.199 8.70835 59.199 32.6954 GPRESSAVG: 4551600 2.941 14.9858 8.69351 17.8002 -23.5029 58.0298 9.17464 60.3387 31.7241 TIMING: 4551600 CPU: 14215.4, 0.00311388/step Wall: 14215.4, 0.00311388/step, 0.387851 hours remaining, 235.289062 MB of memory in use. ENERGY: 4551600 3969.9831 20539.2939 14435.6099 229.6302 -202974.4195 2631.1185 0.0000 0.0000 52030.1049 -109138.6790 299.0177 -161168.7839 -108775.5394 299.1745 227.9935 255.1038 761753.0732 3.7668 3.7207 PRESSURE: 4551800 318.549 64.6824 -17.1201 64.6821 -110.819 71.9508 -17.1205 71.9504 48.6383 GPRESSURE: 4551800 352.505 78.4293 -26.0952 72.1259 -90.479 79.0961 145.681 -43.4324 86.6105 PRESSAVG: 4551800 -2.58298 -24.1243 -22.0435 -24.1243 14.5293 10.4299 -22.0434 10.4299 5.62038 GPRESSAVG: 4551800 -3.50861 -21.7153 -22.225 -25.6716 14.4502 12.0253 -22.8164 7.73392 6.73853 TIMING: 4551800 CPU: 14216, 0.00309313/step Wall: 14216, 0.00309313/step, 0.385095 hours remaining, 235.289062 MB of memory in use. ENERGY: 4551800 4008.5427 20596.0096 14492.0940 260.5126 -203188.6780 2755.6527 0.0000 0.0000 52073.0463 -109002.8200 299.2645 -161075.8663 -108639.2537 300.2399 85.4560 116.2123 762793.6755 5.8556 5.8934 PRESSURE: 4552000 -393.399 -65.9068 38.6423 -65.9071 -159.994 66.5084 38.6429 66.5082 88.8508 GPRESSURE: 4552000 -254.452 -29.2447 -16.6522 27.1397 -186.36 56.4192 200.579 32.7586 77.5392 PRESSAVG: 4552000 21.3637 20.1246 -21.7371 20.1245 -48.9243 -18.897 -21.7372 -18.897 -20.4995 GPRESSAVG: 4552000 22.3952 18.1022 -21.2147 21.7272 -48.9881 -20.1775 -20.0562 -16.1455 -21.2283 TIMING: 4552000 CPU: 14216.7, 0.00309815/step Wall: 14216.7, 0.00309815/step, 0.385548 hours remaining, 235.300781 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: 4552000 4014.6642 20522.6624 14419.6745 257.4566 -202966.2426 2470.1631 0.0000 0.0000 51898.4949 -109383.1268 298.2614 -161281.6217 -109020.7650 299.2797 -154.8475 -121.0911 763653.9744 -16.0200 -15.9404 PRESSURE: 4552200 -162.428 176.807 50.5224 176.806 -168.586 -108.504 50.5221 -108.503 -572.963 GPRESSURE: 4552200 -144.44 62.774 -77.393 101.738 -211.955 -108.579 137.193 -217.786 -473.14 PRESSAVG: 4552200 -24.8146 -65.6933 46.766 -65.6933 20.4334 4.44414 46.766 4.44413 -23.7066 GPRESSAVG: 4552200 -24.6784 -64.6867 45.0321 -66.6844 19.1507 4.98778 46.3472 2.74014 -22.5623 TIMING: 4552200 CPU: 14217.3, 0.00311671/step Wall: 14217.3, 0.00311671/step, 0.387684 hours remaining, 235.300781 MB of memory in use. ENERGY: 4552200 4022.1339 20357.5173 14482.4564 247.7582 -203071.7288 2365.0092 0.0000 0.0000 52191.2604 -109405.5934 299.9439 -161596.8537 -109038.2531 299.5086 -301.3257 -276.5116 762954.5543 -9.3626 -9.3633 LDB: ============= START OF LOAD BALANCING ============== 14229.8 LDB: ============== END OF LOAD BALANCING =============== 14229.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14229.8 LDB: ============= START OF LOAD BALANCING ============== 14230.1 LDB: Largest compute 7029 load 0.032906 is 16.8% of average load 0.195299 LDB: Average compute 0.004415 is 2.3% of average load 0.195299 LDB: TIME 14230.1 LOAD: AVG 0.195299 MAX 0.217092 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.543 MB LDB: TIME 14230.1 LOAD: AVG 0.195299 MAX 0.217092 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.578 MB LDB: TIME 14230.1 LOAD: AVG 0.195299 MAX 0.217092 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.578 MB LDB: ============== END OF LOAD BALANCING =============== 14230.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14230.1 PRESSURE: 4552400 -228.863 89.1255 -27.8426 89.1258 -76.4419 190.793 -27.8415 190.793 -46.1635 GPRESSURE: 4552400 -206.331 75.203 -24.8976 -17.2782 -75.7501 164.875 63.3934 63.5287 21.7362 PRESSAVG: 4552400 -0.314463 -52.0784 51.0442 -52.0785 -25.3386 75.0882 51.0443 75.0882 5.48597 GPRESSAVG: 4552400 0.547259 -51.8462 51.8301 -52.1514 -24.1143 75.56 51.8224 74.42 3.36827 TIMING: 4552400 CPU: 14217.9, 0.00317402/step Wall: 14217.9, 0.00317402/step, 0.394636 hours remaining, 233.683594 MB of memory in use. ENERGY: 4552400 4019.1536 20397.6854 14382.1233 227.1545 -203004.8058 2491.6388 0.0000 0.0000 52235.3368 -109251.7134 300.1972 -161487.0502 -108891.5658 299.3043 -117.1561 -86.7816 763442.5583 -6.7224 -6.7329 PRESSURE: 4552600 189.128 -134.037 -56.6662 -134.036 -96.8213 40.3905 -56.6655 40.3903 149.108 GPRESSURE: 4552600 199.274 -186.638 -62.2634 -134.952 -29.6453 28.9532 -116.691 -42.02 134.102 PRESSAVG: 4552600 -22.5817 -20.4882 -7.95037 -20.4882 21.9311 42.0992 -7.95033 42.0992 27.2119 GPRESSAVG: 4552600 -23.9304 -22.4509 -7.28345 -21.0671 22.1085 41.6025 -8.25242 43.896 27.7043 TIMING: 4552600 CPU: 14218.5, 0.00310351/step Wall: 14218.5, 0.00310351/step, 0.385697 hours remaining, 233.750000 MB of memory in use. ENERGY: 4552600 3917.7509 20555.5517 14446.9745 235.8582 -203276.1032 2534.6141 0.0000 0.0000 52281.9866 -109303.3672 300.4653 -161585.3538 -108942.5450 300.1133 80.4716 101.2437 761225.0675 8.8538 8.6275 PRESSURE: 4552800 143.272 -69.0067 294.267 -69.006 59.9531 5.34243 294.267 5.34247 -163.553 GPRESSURE: 4552800 87.8006 13.4913 331.185 13.4287 186.207 9.70463 149.219 -0.892988 -134.952 PRESSAVG: 4552800 -14.7319 -1.6843 68.6971 -1.68435 11.1955 57.1296 68.6971 57.1296 23.5294 GPRESSAVG: 4552800 -15.0076 1.1138 69.5658 -0.974854 11.5426 58.7692 65.4799 55.2015 23.8953 TIMING: 4552800 CPU: 14219.2, 0.00310482/step Wall: 14219.2, 0.00310482/step, 0.385688 hours remaining, 233.750000 MB of memory in use. ENERGY: 4552800 3963.8741 20453.6426 14420.1738 273.1822 -202801.8381 2507.0596 0.0000 0.0000 51929.3465 -109254.5594 298.4387 -161183.9059 -108885.0333 299.0745 13.2240 46.3518 762974.1584 6.6643 6.8101 PRESSURE: 4553000 221.145 57.8363 22.5999 57.8364 161.728 163.912 22.599 163.912 113.649 GPRESSURE: 4553000 229.52 4.49333 12.027 24.8076 189.281 110.316 79.4742 209.998 173.116 PRESSAVG: 4553000 23.3035 -43.6156 32.5289 -43.6156 -38.442 2.3098 32.5289 2.30976 27.9112 GPRESSAVG: 4553000 23.4387 -42.7868 33.5243 -45.1331 -38.7358 0.398282 33.5767 4.0122 28.3212 TIMING: 4553000 CPU: 14219.8, 0.00310379/step Wall: 14219.8, 0.00310379/step, 0.385387 hours remaining, 233.750000 MB of memory in use. ENERGY: 4553000 3893.9835 20555.1498 14388.5902 246.9893 -202880.7151 2540.0367 0.0000 0.0000 52086.9437 -109169.0219 299.3444 -161255.9657 -108807.3117 299.1494 165.5074 197.3058 763159.6514 4.2575 4.3414 PRESSURE: 4553200 -19.6942 -64.7422 -8.71969 -64.7422 1.11685 112.753 -8.71928 112.753 321.209 GPRESSURE: 4553200 102.899 -17.2293 -11.8743 20.9673 11.748 125.361 -74.2538 -18.9665 282.476 PRESSAVG: 4553200 42.3465 -9.40759 -6.55932 -9.40749 -18.0335 16.3023 -6.55923 16.3023 -7.06506 GPRESSAVG: 4553200 41.9705 -11.4066 -8.6969 -8.82844 -18.6673 15.2377 -5.71478 16.3474 -6.60565 TIMING: 4553200 CPU: 14220.4, 0.00309366/step Wall: 14220.4, 0.00309366/step, 0.383957 hours remaining, 233.750000 MB of memory in use. ENERGY: 4553200 3993.2883 20319.8876 14467.6176 259.1860 -202866.6429 2569.6287 0.0000 0.0000 52100.8272 -109156.2074 299.4242 -161257.0346 -108791.3694 299.4450 100.8772 132.3745 763172.5686 5.7493 5.5659 PRESSURE: 4553400 142.62 -8.1894 -7.45092 -8.18975 0.85684 -283.705 -7.45049 -283.707 38.9303 GPRESSURE: 4553400 109.313 -59.695 32.7708 -38.6242 2.33868 -299.296 -17.5286 -233.354 151.814 PRESSAVG: 4553400 40.3752 -61.9606 37.3574 -61.9607 -51.9444 31.2522 37.3574 31.2522 20.4649 GPRESSAVG: 4553400 40.3735 -61.3852 38.171 -61.9325 -51.5669 33.5879 34.8511 28.4959 20.5852 TIMING: 4553400 CPU: 14221, 0.0031014/step Wall: 14221, 0.0031014/step, 0.384746 hours remaining, 233.750000 MB of memory in use. ENERGY: 4553400 3945.4489 20664.1653 14448.6895 254.6145 -202949.6174 2513.1069 0.0000 0.0000 51840.4249 -109283.1674 297.9276 -161123.5922 -108924.9298 299.3008 60.8025 87.8220 759746.4766 2.9652 3.1306 PRESSURE: 4553600 -303.751 -83.8 -27.7212 -83.8003 10.4039 -7.8518 -27.7206 -7.85163 300.174 GPRESSURE: 4553600 -184.461 28.091 -25.4164 -62.4463 23.1065 -79.0852 -49.147 -10.8781 252.767 PRESSAVG: 4553600 -41.4987 -7.62768 0.249405 -7.62761 39.8414 26.5592 0.24942 26.5591 2.46831 GPRESSAVG: 4553600 -39.6009 -5.16211 -0.0487788 -7.06452 39.414 26.0565 1.24529 31.5913 1.20423 TIMING: 4553600 CPU: 14221.6, 0.00310311/step Wall: 14221.6, 0.00310311/step, 0.384785 hours remaining, 233.750000 MB of memory in use. ENERGY: 4553600 3965.4762 20569.1986 14477.1091 246.9784 -202855.8925 2566.0103 0.0000 0.0000 51877.8683 -109153.2516 298.1428 -161031.1199 -108800.7718 298.9568 2.2755 30.4706 762039.8780 0.2703 0.3391 PRESSURE: 4553800 -116.18 -142.098 -4.3575 -142.098 36.2947 76.1294 -4.35624 76.1289 267.113 GPRESSURE: 4553800 -47.4477 -144.925 -43.9385 -225.796 46.2283 10.7858 104.588 100.597 276.882 PRESSAVG: 4553800 24.199 15.739 -16.7824 15.739 -44.8757 -34.767 -16.7825 -34.7669 -10.9482 GPRESSAVG: 4553800 21.9856 12.7875 -19.4221 18.2608 -42.7301 -35.6688 -13.8335 -36.4693 -11.3288 TIMING: 4553800 CPU: 14222.3, 0.00311351/step Wall: 14222.3, 0.00311351/step, 0.385903 hours remaining, 233.750000 MB of memory in use. ENERGY: 4553800 3975.7341 20423.3293 14512.9664 224.4229 -203061.8952 2673.5426 0.0000 0.0000 52136.7188 -109115.1811 299.6304 -161251.8999 -108756.1042 299.3445 62.4090 91.8877 761258.7088 -10.5416 -10.6911 PRESSURE: 4554000 213.238 -34.7267 34.2789 -34.7267 -130.616 19.2098 34.2791 19.2097 -243.509 GPRESSURE: 4554000 276.74 -67.1241 48.4404 -75.5962 -77.7078 35.6167 9.30517 36.8398 -282.225 PRESSAVG: 4554000 -8.25306 -49.7822 16.1754 -49.7822 40.522 41.0556 16.1754 41.0556 29.8081 GPRESSAVG: 4554000 -8.51637 -52.0424 17.6593 -50.545 39.118 43.075 15.1563 40.0492 31.1836 TIMING: 4554000 CPU: 14222.9, 0.00309204/step Wall: 14222.9, 0.00309204/step, 0.383069 hours remaining, 233.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4554000 4005.7120 20412.1038 14391.4615 261.4476 -202655.7804 2409.7987 0.0000 0.0000 52095.7632 -109079.4935 299.3951 -161175.2568 -108716.4109 299.8453 -53.6291 -27.7311 762320.7609 20.6923 20.5951 PRESSURE: 4554200 -355.805 278.774 125.723 278.773 -247.348 -122.836 125.723 -122.836 -214.401 GPRESSURE: 4554200 -414.787 358.945 132.115 178.23 -121.201 -94.4522 72.6168 -86.9564 -183.347 PRESSAVG: 4554200 -2.41522 -12.657 1.94363 -12.6571 -20.7731 4.65106 1.94365 4.65111 -5.18291 GPRESSAVG: 4554200 -0.928307 -9.69442 2.6808 -14.8624 -20.5108 2.78546 1.56759 6.75907 -7.17682 TIMING: 4554200 CPU: 14223.5, 0.00311712/step Wall: 14223.5, 0.00311712/step, 0.386003 hours remaining, 233.750000 MB of memory in use. ENERGY: 4554200 4033.0788 20571.1866 14441.2373 249.0705 -202911.6537 2328.9613 0.0000 0.0000 52141.9321 -109146.1871 299.6604 -161288.1192 -108790.0808 299.6475 -272.5178 -239.7785 760692.9269 -9.4571 -9.5386 PRESSURE: 4554400 -141.712 14.7746 -124.535 14.7744 55.5791 53.8562 -124.535 53.8554 -498.975 GPRESSURE: 4554400 -71.9885 -54.6144 -84.6688 8.76044 70.4109 93.574 -51.3872 -15.5047 -483.128 PRESSAVG: 4554400 38.0399 19.1568 -10.7137 19.1567 -15.1646 20.9123 -10.7137 20.9123 15.3736 GPRESSAVG: 4554400 37.5418 20.5901 -10.4986 18.6944 -15.8001 21.7093 -10.7965 20.3544 16.3116 TIMING: 4554400 CPU: 14224.1, 0.00309424/step Wall: 14224.1, 0.00309424/step, 0.382998 hours remaining, 233.750000 MB of memory in use. ENERGY: 4554400 3956.7381 20561.8089 14465.8342 235.9675 -203181.3241 2702.2077 0.0000 0.0000 52328.8930 -108929.8747 300.7349 -161258.7677 -108571.7761 300.1544 -195.0357 -161.5684 761401.3754 12.7496 12.6844 PRESSURE: 4554600 -160.297 -64.4251 78.1001 -64.4245 -322.358 -84.5298 78.1 -84.5285 283.429 GPRESSURE: 4554600 -95.1042 -154.248 128.477 -38.2055 -321.885 -13.093 -86.0962 -172.365 287.726 PRESSAVG: 4554600 -7.04916 -10.8957 -2.51425 -10.8957 16.2178 3.94139 -2.51427 3.94141 -12.6049 GPRESSAVG: 4554600 -5.50449 -11.5387 -3.04326 -10.8251 14.0216 4.30081 -3.79034 2.22947 -11.9816 TIMING: 4554600 CPU: 14224.8, 0.00312/step Wall: 14224.8, 0.00312/step, 0.386013 hours remaining, 233.750000 MB of memory in use. ENERGY: 4554600 3965.1167 20559.0967 14471.7917 238.4497 -202958.5254 2553.0315 0.0000 0.0000 52117.0798 -109053.9593 299.5176 -161171.0392 -108691.5623 299.9551 -66.4087 -43.0878 762204.8729 -1.1454 -1.1548 PRESSURE: 4554800 -177.577 -368.804 -270.943 -368.804 217.105 117.272 -270.943 117.272 243.44 GPRESSURE: 4554800 -172.521 -272.168 -333.901 -221.372 284.57 134.845 -144.696 111.574 242 PRESSAVG: 4554800 -17.9945 10.8525 -2.62055 10.8525 -0.767488 24.4216 -2.6205 24.4216 -15.5525 GPRESSAVG: 4554800 -19.1247 12.2519 -2.78873 10.18 0.693115 23.4356 -2.16698 26.1076 -16.2665 TIMING: 4554800 CPU: 14225.4, 0.00310698/step Wall: 14225.4, 0.00310698/step, 0.38423 hours remaining, 233.750000 MB of memory in use. ENERGY: 4554800 3971.6079 20572.5624 14433.0738 265.2523 -203267.2257 2753.5085 0.0000 0.0000 52346.5455 -108924.6752 300.8363 -161271.2207 -108560.0148 300.1470 94.3225 118.0166 760690.1580 -11.4382 -11.5660 PRESSURE: 4555000 4.17455 -46.8813 76.1821 -46.8813 -340.855 57.0949 76.1821 57.0946 -416.014 GPRESSURE: 4555000 -61.0711 -24.2068 48.8727 22.3078 -319.887 10.0322 27.4836 21.2271 -278.249 PRESSAVG: 4555000 -11.3997 -0.190734 14.0118 -0.190702 -15.6552 -39.0162 14.0118 -39.0162 29.0577 GPRESSAVG: 4555000 -11.7907 -2.94638 15.5051 1.10783 -15.3143 -40.2131 12.7143 -40.0436 29.0596 TIMING: 4555000 CPU: 14226, 0.0031204/step Wall: 14226, 0.0031204/step, 0.385716 hours remaining, 233.738281 MB of memory in use. ENERGY: 4555000 3947.8806 20329.8891 14414.5801 251.6312 -202850.1080 2453.1946 0.0000 0.0000 52210.2411 -109242.6913 300.0530 -161452.9324 -108864.8745 299.9084 -250.8979 -219.7359 762492.2562 0.6676 0.6516 PRESSURE: 4555200 -540.946 140.743 -36.1022 140.743 -169.099 -46.59 -36.1024 -46.5891 -330.81 GPRESSURE: 4555200 -521.889 140.178 2.47089 122.157 -96.6268 0.0797647 -94.8839 -3.51658 -329.469 PRESSAVG: 4555200 -0.653456 -86.8238 -8.87954 -86.8237 12.6277 49.6279 -8.87952 49.6279 -16.3302 GPRESSAVG: 4555200 -0.334146 -85.8868 -8.56081 -86.2475 12.6315 50.5386 -7.40699 50.2145 -15.8988 TIMING: 4555200 CPU: 14226.6, 0.00311578/step Wall: 14226.6, 0.00311578/step, 0.384972 hours remaining, 233.738281 MB of memory in use. ENERGY: 4555200 4088.3873 20539.2048 14475.1828 245.1464 -202878.8824 2427.2364 0.0000 0.0000 51981.8023 -109121.9225 298.7401 -161103.7247 -108766.8292 299.9756 -346.9518 -315.9950 763090.1492 -1.4520 -1.2005 PRESSURE: 4555400 171.196 89.6254 260.118 89.6259 315.15 -318.206 260.118 -318.206 -225.436 GPRESSURE: 4555400 151.844 42.4012 297.94 -76.1821 436.578 -284.545 248.398 -102.579 -238.457 PRESSAVG: 4555400 -17.9811 -13.8803 -36.5779 -13.8803 -0.51918 -49.3423 -36.578 -49.3424 19.2359 GPRESSAVG: 4555400 -17.9877 -15.6154 -37.2037 -16.1385 -0.247118 -49.5997 -36.3633 -48.9717 19.184 TIMING: 4555400 CPU: 14227.2, 0.00312793/step Wall: 14227.2, 0.00312793/step, 0.386299 hours remaining, 233.738281 MB of memory in use. ENERGY: 4555400 3998.6465 20776.3532 14427.8676 238.7833 -203053.5784 2699.9620 0.0000 0.0000 52004.5977 -108907.3681 298.8711 -160911.9658 -108554.9939 300.0504 86.9701 116.6551 761484.1354 0.2452 0.3164 PRESSURE: 4555600 -127.506 61.16 38.8772 61.1606 181.628 199.679 38.8779 199.678 -196.185 GPRESSURE: 4555600 -112.968 76.2999 122.135 136.064 199.988 96.0951 -81.9653 267.953 -163.699 PRESSAVG: 4555600 -89.9141 -42.9299 15.5395 -42.9299 27.3993 -24.3582 15.5395 -24.3582 11.5219 GPRESSAVG: 4555600 -90.0917 -40.7188 14.6024 -42.1208 27.2663 -24.0769 14.7004 -24.4458 11.8179 TIMING: 4555600 CPU: 14227.9, 0.00309817/step Wall: 14227.9, 0.00309817/step, 0.382452 hours remaining, 233.726562 MB of memory in use. ENERGY: 4555600 3911.6833 20486.6468 14424.7229 260.4109 -202895.3707 2414.6889 0.0000 0.0000 52458.5288 -108938.6891 301.4799 -161397.2179 -108570.1314 299.9306 -47.3544 -25.5599 762533.8902 -16.9976 -17.0025 PRESSURE: 4555800 102.55 112.285 94.7131 112.285 -18.9319 -30.4659 94.7133 -30.4651 480.73 GPRESSURE: 4555800 116.339 231.628 214.063 66.1891 47.1541 1.93158 -163.044 -117.002 489.274 PRESSAVG: 4555800 -18.1952 2.73312 26.0264 2.73306 30.2271 -52.9626 26.0264 -52.9627 -6.18972 GPRESSAVG: 4555800 -18.0787 1.42916 27.7061 2.5825 31.3953 -53.5799 24.9039 -53.18 -7.39394 TIMING: 4555800 CPU: 14228.5, 0.00309277/step Wall: 14228.5, 0.00309277/step, 0.381613 hours remaining, 233.738281 MB of memory in use. ENERGY: 4555800 4017.0184 20423.4995 14458.8792 237.8619 -202973.9107 2623.2999 0.0000 0.0000 52293.6549 -108919.6969 300.5324 -161213.3518 -108562.9427 300.0700 188.1161 217.5890 760520.4249 1.9474 1.9742 PRESSURE: 4556000 15.8869 110.002 -34.0896 110.002 -256.052 -80.9855 -34.0903 -80.984 223.266 GPRESSURE: 4556000 85.1879 85.6402 11.6211 171.392 -202.742 -95.6371 -77.2479 15.404 199.28 PRESSAVG: 4556000 -7.56169 -14.3954 -3.40947 -14.3954 55.7528 13.8598 -3.40941 13.8598 -21.3654 GPRESSAVG: 4556000 -7.3151 -13.9266 -5.80508 -12.4347 54.4243 15.4747 -1.2297 12.3363 -19.8989 TIMING: 4556000 CPU: 14229.1, 0.00310046/step Wall: 14229.1, 0.00310046/step, 0.38239 hours remaining, 233.726562 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: 4556000 3915.7716 20468.0001 14535.0014 254.6164 -203110.5035 2489.4941 0.0000 0.0000 52369.0453 -109078.5747 300.9656 -161447.6199 -108724.4706 299.7118 -5.6333 27.2419 760764.4735 8.9419 9.0701 PRESSURE: 4556200 -4.4477 79.9717 -238.003 79.9714 321.296 -4.96556 -238.001 -4.96628 -114.455 GPRESSURE: 4556200 -23.2573 30.563 -229.907 15.7712 363.847 -37.0432 -187.045 78.5649 -44.2802 PRESSAVG: 4556200 -4.4105 15.4141 20.5964 15.4142 11.9812 14.4602 20.5964 14.4602 3.62096 GPRESSAVG: 4556200 -5.5898 13.5132 20.5495 15.1411 14.6267 12.7164 23.0128 16.1257 2.17487 TIMING: 4556200 CPU: 14229.7, 0.0031093/step Wall: 14229.7, 0.0031093/step, 0.383307 hours remaining, 233.726562 MB of memory in use. ENERGY: 4556200 3981.2001 20347.5346 14431.3017 225.5957 -202754.4196 2402.4007 0.0000 0.0000 52205.3618 -109161.0249 300.0249 -161366.3867 -108800.2605 299.6998 67.4645 98.7699 762449.6837 3.7306 3.7373 LDB: ============= START OF LOAD BALANCING ============== 14242.2 LDB: ============== END OF LOAD BALANCING =============== 14242.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14242.2 LDB: ============= START OF LOAD BALANCING ============== 14242.5 LDB: Largest compute 7027 load 0.034094 is 17.5% of average load 0.195129 LDB: Average compute 0.004417 is 2.3% of average load 0.195129 LDB: TIME 14242.5 LOAD: AVG 0.195129 MAX 0.220161 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.496 MB LDB: TIME 14242.5 LOAD: AVG 0.195129 MAX 0.220161 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.496 MB LDB: TIME 14242.5 LOAD: AVG 0.195129 MAX 0.217298 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.496 MB LDB: ============== END OF LOAD BALANCING =============== 14242.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14242.5 PRESSURE: 4556400 -187.445 206.602 -342.763 206.603 -336.005 206.911 -342.763 206.912 -77.5627 GPRESSURE: 4556400 -118.654 123.887 -329.684 128.093 -371.983 166.073 -361.778 -12.9259 -14.5055 PRESSAVG: 4556400 33.3117 0.391873 11.5443 0.391878 -35.899 -6.75684 11.5443 -6.75674 -4.17768 GPRESSAVG: 4556400 33.6433 0.865061 12.7179 -0.484865 -36.708 -7.31528 10.0966 -10.1694 -4.11238 TIMING: 4556400 CPU: 14230.4, 0.00321053/step Wall: 14230.4, 0.00321053/step, 0.395609 hours remaining, 234.160156 MB of memory in use. ENERGY: 4556400 3958.5621 20536.3676 14463.7922 252.6922 -202709.7003 2381.8109 0.0000 0.0000 51830.1563 -109286.3190 297.8686 -161116.4753 -108928.4036 299.0787 -200.3375 -168.3809 762612.7742 -2.2550 -2.3924 PRESSURE: 4556600 -72.8745 -185.65 -24.9601 -185.649 -95.1335 -106.884 -24.96 -106.882 -217.342 GPRESSURE: 4556600 -63.2005 -140.388 22.9025 -119.219 63.7685 -69.1177 -52.4045 2.60044 -310.328 PRESSAVG: 4556600 22.3923 -0.0266401 5.30089 -0.0265751 -18.5659 -39.4049 5.30091 -39.4048 -12.72 GPRESSAVG: 4556600 22.9091 -1.33357 6.65977 -0.240169 -18.9581 -38.7651 4.4767 -35.6736 -13.0618 TIMING: 4556600 CPU: 14231, 0.00310729/step Wall: 14231, 0.00310729/step, 0.382715 hours remaining, 234.160156 MB of memory in use. ENERGY: 4556600 3904.9951 20535.4058 14445.2232 275.2057 -203034.9954 2654.4339 0.0000 0.0000 52071.3184 -109148.4134 299.2546 -161219.7318 -108786.6702 299.5357 -128.4501 -103.2533 763291.6287 -2.9645 -3.0369 PRESSURE: 4556800 89.6809 -16.4766 122.974 -16.4767 -126.706 -106.417 122.974 -106.417 -123.97 GPRESSURE: 4556800 -24.5532 -48.481 151.4 72.2159 -6.76482 -135.94 226.948 -142.184 -66.3014 PRESSAVG: 4556800 -6.61575 -22.1558 -11.0301 -22.1558 -31.8693 -26.5539 -11.0301 -26.5539 25.4815 GPRESSAVG: 4556800 -5.57128 -18.9466 -13.3875 -23.7725 -32.7762 -26.2491 -10.3358 -27.1735 25.0175 TIMING: 4556800 CPU: 14231.6, 0.00310942/step Wall: 14231.6, 0.00310942/step, 0.382804 hours remaining, 234.160156 MB of memory in use. ENERGY: 4556800 3972.3073 20309.8410 14435.8087 253.4463 -202830.9707 2397.7461 0.0000 0.0000 52135.0584 -109326.7629 299.6209 -161461.8213 -108956.6902 299.1996 -53.6652 -32.5398 762396.0451 -4.3345 -4.4433 PRESSURE: 4557000 327.859 -179.12 53.8305 -179.12 -269.006 -220.411 53.8302 -220.411 170.307 GPRESSURE: 4557000 415.309 -247.243 132.773 -68.1226 -164.121 -261.436 176.876 -249.984 62.3648 PRESSAVG: 4557000 17.7979 3.65186 -3.11244 3.65189 31.4215 -42.5078 -3.11242 -42.5077 -9.30057 GPRESSAVG: 4557000 17.5502 1.20634 -2.33553 5.76028 31.0893 -43.9975 -5.15347 -42.6209 -8.94295 TIMING: 4557000 CPU: 14232.2, 0.00311238/step Wall: 14232.2, 0.00311238/step, 0.382996 hours remaining, 234.160156 MB of memory in use. ENERGY: 4557000 3922.0149 20433.3104 14433.4189 269.5471 -202973.2491 2465.4242 0.0000 0.0000 52192.4581 -109257.0755 299.9508 -161449.5337 -108894.5512 298.9024 76.3868 104.5175 761799.8158 13.3063 13.2322 PRESSURE: 4557200 -235.923 48.9583 -242.155 48.9587 30.0829 2.70038 -242.155 2.70106 -320.118 GPRESSURE: 4557200 -202.489 75.0355 -153.709 79.9263 44.8913 14.3037 -164.279 -44.6511 -280.921 PRESSAVG: 4557200 11.1711 -64.7236 8.84111 -64.7236 6.59665 -50.555 8.84112 -50.555 -1.21096 GPRESSAVG: 4557200 10.5012 -64.3011 10.0044 -64.4778 6.92478 -47.9404 10.0052 -53.07 -0.204509 TIMING: 4557200 CPU: 14232.9, 0.00310494/step Wall: 14232.9, 0.00310494/step, 0.381908 hours remaining, 234.160156 MB of memory in use. ENERGY: 4557200 3977.6419 20556.2407 14460.9005 239.8637 -202822.3303 2475.3331 0.0000 0.0000 52132.9943 -108979.3561 299.6090 -161112.3505 -108624.8994 299.0969 -175.3193 -146.1731 762772.8497 5.5189 5.7405 PRESSURE: 4557400 173.39 113.91 317.528 113.911 -83.945 -207.236 317.528 -207.236 -520.012 GPRESSURE: 4557400 205.009 175.051 212.45 42.0313 -55.2086 -101.001 239.053 -193.844 -497.447 PRESSAVG: 4557400 -6.41397 -8.31762 -11.992 -8.31758 39.9687 -20.16 -11.9919 -20.16 35.9295 GPRESSAVG: 4557400 -6.21523 -7.22717 -12.5964 -8.56031 39.7888 -19.6173 -12.0321 -19.7298 35.5711 TIMING: 4557400 CPU: 14233.5, 0.00311726/step Wall: 14233.5, 0.00311726/step, 0.38325 hours remaining, 234.160156 MB of memory in use. ENERGY: 4557400 4012.2508 20445.9860 14436.4609 252.9981 -203087.3958 2624.3345 0.0000 0.0000 51958.8755 -109356.4900 298.6084 -161315.3655 -109003.3374 299.1344 -143.5222 -115.8823 761192.5918 23.1614 23.0482 PRESSURE: 4557600 -34.2546 19.3416 -9.56398 19.3412 -188.374 -235.253 -9.56406 -235.252 -427.211 GPRESSURE: 4557600 -19.5013 27.0076 -69.9405 -7.34805 -143.834 -155.592 -5.91102 -341.944 -399.896 PRESSAVG: 4557600 6.6486 -43.9626 -26.9417 -43.9627 -28.8925 1.53627 -26.9417 1.53626 14.397 GPRESSAVG: 4557600 6.81443 -44.9191 -27.7147 -43.9602 -28.1343 1.71023 -27.206 1.46542 13.3691 TIMING: 4557600 CPU: 14234.1, 0.00313587/step Wall: 14234.1, 0.00313587/step, 0.385364 hours remaining, 234.160156 MB of memory in use. ENERGY: 4557600 3949.2929 20330.4360 14473.3632 240.0089 -203158.4842 2722.5393 0.0000 0.0000 51888.7205 -109554.1233 298.2052 -161442.8439 -109196.0828 298.8314 -216.6132 -187.7436 762277.7756 -2.6156 -2.6502 PRESSURE: 4557800 228.892 -19.8347 -42.8139 -19.8345 201.155 -62.9134 -42.8142 -62.913 -9.71044 GPRESSURE: 4557800 195.306 27.4299 -27.7626 -168.634 193.49 50.87 -1.40169 -268.249 99.293 PRESSAVG: 4557800 9.64405 12.7291 -26.0375 12.729 -61.3953 4.69708 -26.0375 4.69706 -6.31116 GPRESSAVG: 4557800 10.1182 14.1283 -26.5256 9.56609 -63.0917 4.69092 -25.4607 5.23845 -5.19794 TIMING: 4557800 CPU: 14234.7, 0.00309427/step Wall: 14234.7, 0.00309427/step, 0.380079 hours remaining, 234.160156 MB of memory in use. ENERGY: 4557800 3941.3363 20340.2992 14435.0565 246.7495 -203184.8752 2506.3645 0.0000 0.0000 52075.1653 -109639.9039 299.2767 -161715.0692 -109275.3915 298.5776 140.1120 162.6965 761399.4947 -19.3541 -19.3905 PRESSURE: 4558000 -126.438 144.308 60.0337 144.308 -205.966 -43.6151 60.0342 -43.6152 -78.3734 GPRESSURE: 4558000 -45.9226 122.467 156.512 153.408 -233.554 -18.2116 7.1823 -24.1637 -61.0575 PRESSAVG: 4558000 19.5367 -79.6504 -46.3552 -79.6504 -22.4861 -3.74016 -46.3552 -3.74012 -14.2791 GPRESSAVG: 4558000 19.0998 -81.6452 -45.5712 -76.0065 -22.0625 -4.9192 -46.9525 -2.67318 -15.0333 TIMING: 4558000 CPU: 14235.4, 0.00311102/step Wall: 14235.4, 0.00311102/step, 0.381964 hours remaining, 234.160156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4558000 3969.0965 20439.3368 14504.5552 238.0576 -202943.7586 2385.4525 0.0000 0.0000 51966.3759 -109440.8841 298.6515 -161407.2600 -109075.1518 298.6284 -136.9258 -113.5113 761539.4217 -5.7428 -5.9987 PRESSURE: 4558200 -23.0732 -20.1877 -242.411 -20.1879 -217.488 -129.406 -242.412 -129.405 -227.693 GPRESSURE: 4558200 -44.2423 138.305 -246.292 -85.1996 -145.575 -131.24 -168.874 -106.847 -194.628 PRESSAVG: 4558200 36.7122 -20.9669 -22.5043 -20.9669 -60.6872 16.3505 -22.5042 16.3505 6.2776 GPRESSAVG: 4558200 36.3205 -18.8605 -23.5426 -23.1739 -59.2597 15.3597 -21.8388 16.8206 5.26875 TIMING: 4558200 CPU: 14236, 0.0031102/step Wall: 14236, 0.0031102/step, 0.381691 hours remaining, 234.160156 MB of memory in use. ENERGY: 4558200 4011.2536 20443.2380 14510.8843 280.0984 -203022.6255 2632.9470 0.0000 0.0000 51799.8053 -109344.3988 297.6942 -161144.2042 -108988.6024 298.7044 -156.0846 -128.1481 762959.0170 -5.8991 -5.8901 PRESSURE: 4558400 293.677 76.6065 -91.1705 76.606 109.828 -28.8376 -91.171 -28.837 140.24 GPRESSURE: 4558400 401.423 58.4096 -99.0343 94.7902 77.8214 -4.10626 -185.811 33.7927 143.297 PRESSAVG: 4558400 85.2029 -55.6172 -43.9206 -55.6171 -104.202 0.242047 -43.9206 0.242027 -6.95409 GPRESSAVG: 4558400 86.0026 -57.8662 -42.2048 -52.4153 -107.075 0.896971 -45.1685 -0.594233 -5.52341 TIMING: 4558400 CPU: 14236.6, 0.00310976/step Wall: 14236.6, 0.00310976/step, 0.381463 hours remaining, 234.160156 MB of memory in use. ENERGY: 4558400 3995.1620 20449.2511 14456.0977 247.3183 -202884.1431 2493.2625 0.0000 0.0000 52238.8286 -109004.2228 300.2173 -161243.0514 -108642.3354 299.5309 181.2482 207.5139 763023.9091 -8.6509 -8.8653 PRESSURE: 4558600 -404.614 41.9499 -235.395 41.9504 -215.741 103.359 -235.396 103.36 -355.381 GPRESSURE: 4558600 -336.716 57.7162 -246.268 15.0429 -267.342 53.489 -161.653 317.214 -286.137 PRESSAVG: 4558600 10.8775 -33.8537 -42.9212 -33.8537 1.28001 22.2316 -42.9212 22.2316 -0.970416 GPRESSAVG: 4558600 10.9927 -31.8001 -44.8432 -35.5386 2.12685 21.6437 -41.7659 22.6756 -1.705 TIMING: 4558600 CPU: 14237.2, 0.00309193/step Wall: 14237.2, 0.00309193/step, 0.379105 hours remaining, 234.160156 MB of memory in use. ENERGY: 4558600 4009.2865 20550.3743 14460.0992 242.1527 -202669.1843 2264.2188 0.0000 0.0000 52012.1617 -109130.8911 298.9146 -161143.0528 -108767.1139 299.4393 -325.2453 -296.7315 763140.6480 3.7290 3.8048 PRESSURE: 4558800 -34.5496 -266.696 109.529 -266.695 -231.299 72.2114 109.529 72.2109 24.7133 GPRESSURE: 4558800 -32.7753 -210.9 139.147 -247.072 -174.995 126.583 -38.9205 -121.747 50.2635 PRESSAVG: 4558800 51.599 -70.895 -14.4693 -70.8951 -60.5757 48.4665 -14.4693 48.4665 3.42515 GPRESSAVG: 4558800 51.7329 -71.9525 -12.1267 -71.7426 -61.0704 48.1298 -15.8788 49.0118 3.52815 TIMING: 4558800 CPU: 14237.8, 0.00311248/step Wall: 14237.8, 0.00311248/step, 0.381452 hours remaining, 234.160156 MB of memory in use. ENERGY: 4558800 3982.4525 20512.4512 14466.8800 234.6237 -202934.4903 2732.2196 0.0000 0.0000 51960.7113 -109045.1521 298.6189 -161005.8633 -108685.4772 299.6027 -80.3783 -52.5024 762217.6597 -1.8505 -1.9364 PRESSURE: 4559000 118.857 201.813 79.1799 201.813 -345.598 264.326 79.1808 264.325 145.058 GPRESSURE: 4559000 118.06 127.856 56.7516 108.6 -242.334 226.352 102.566 266.088 131.459 PRESSAVG: 4559000 -6.21721 -36.3432 30.2359 -36.3432 -19.8847 -23.4471 30.2359 -23.447 -5.88215 GPRESSAVG: 4559000 -5.50564 -37.2996 28.7091 -35.015 -19.7393 -22.3901 31.7504 -26.2245 -6.74072 TIMING: 4559000 CPU: 14238.5, 0.00312469/step Wall: 14238.5, 0.00312469/step, 0.382775 hours remaining, 234.160156 MB of memory in use. ENERGY: 4559000 3996.1631 20431.4339 14411.2945 255.0370 -202585.8030 2443.6229 0.0000 0.0000 52299.6060 -108748.6457 300.5666 -161048.2517 -108383.9115 299.7442 -27.2278 2.3951 761110.2047 -10.6614 -10.6619 PRESSURE: 4559200 141.671 14.5467 -25.4373 14.5472 -234.597 -24.1112 -25.4366 -24.1115 -411.371 GPRESSURE: 4559200 133.22 -41.4702 -23.4701 -59.5305 -222.945 6.33415 -85.1747 32.7627 -341.78 PRESSAVG: 4559200 60.8114 -17.1847 -40.6549 -17.1847 -26.1424 27.0125 -40.6549 27.0125 4.53928 GPRESSAVG: 4559200 59.0593 -15.9147 -39.9572 -20.2446 -25.0969 26.0235 -41.3285 27.8345 5.27788 TIMING: 4559200 CPU: 14239.1, 0.00312163/step Wall: 14239.1, 0.00312163/step, 0.382227 hours remaining, 234.160156 MB of memory in use. ENERGY: 4559200 4089.6986 20581.3462 14400.0537 237.5597 -202634.5504 2194.4090 0.0000 0.0000 52455.9583 -108675.5248 301.4651 -161131.4832 -108313.1670 300.6714 -168.0991 -143.8352 760860.9946 13.0694 13.0801 PRESSURE: 4559400 70.6487 -271.623 -56.3923 -271.623 121.156 -21.0988 -56.3929 -21.0998 359.157 GPRESSURE: 4559400 215.799 -199.903 50.4595 -223.096 159.525 -36.507 3.24514 28.8437 276.847 PRESSAVG: 4559400 20.5521 -9.18862 13.2405 -9.18862 8.67796 32.0906 13.2405 32.0906 5.93028 GPRESSAVG: 4559400 20.7355 -9.81416 12.8423 -8.25327 9.73279 34.7086 12.7946 31.7102 4.30197 TIMING: 4559400 CPU: 14239.7, 0.00311077/step Wall: 14239.7, 0.00311077/step, 0.380723 hours remaining, 234.160156 MB of memory in use. ENERGY: 4559400 3992.6108 20637.2583 14340.1475 243.0208 -202616.0669 2144.3405 0.0000 0.0000 52473.0145 -108785.6746 301.5631 -161258.6890 -108413.0354 300.7744 183.6538 217.3904 760438.5721 11.7201 11.5901 PRESSURE: 4559600 -197.599 -80.8927 -37.287 -80.8921 10.0323 -315.429 -37.2868 -315.431 -174.046 GPRESSURE: 4559600 -128.515 -141.056 -89.627 -85.3226 51.6804 -398.029 13.1335 -165.536 -195.236 PRESSAVG: 4559600 -46.539 -56.7946 -46.3797 -56.7946 53.8904 30.8853 -46.3797 30.8853 10.625 GPRESSAVG: 4559600 -45.1642 -54.7444 -46.4285 -55.2377 52.1888 28.5935 -44.7778 32.7049 11.2735 TIMING: 4559600 CPU: 14240.3, 0.00311013/step Wall: 14240.3, 0.00311013/step, 0.380473 hours remaining, 234.160156 MB of memory in use. ENERGY: 4559600 4085.5413 20476.6249 14464.2548 253.9005 -202772.8351 2732.6671 0.0000 0.0000 52244.4471 -108515.3994 300.2496 -160759.8465 -108149.3064 300.7545 -120.5378 -90.6900 761568.2028 5.9921 6.0994 PRESSURE: 4559800 88.7528 -61.7711 68.8289 -61.7714 236.136 -12.4723 68.8291 -12.4728 379.979 GPRESSURE: 4559800 179.955 36.8892 -2.7993 -58.3635 168.001 13.3829 81.0482 31.7119 415.499 PRESSAVG: 4559800 -47.3744 -77.7904 -1.81386 -77.7904 86.7305 1.87241 -1.81391 1.87239 -13.602 GPRESSAVG: 4559800 -48.207 -78.9359 -2.28271 -79.031 86.3061 2.53265 -0.330477 -0.400382 -12.6392 TIMING: 4559800 CPU: 14240.9, 0.00310038/step Wall: 14240.9, 0.00310038/step, 0.379107 hours remaining, 234.160156 MB of memory in use. ENERGY: 4559800 3960.2289 20630.7145 14424.6030 249.7276 -202751.5685 2319.4752 0.0000 0.0000 52361.1654 -108805.6538 300.9203 -161166.8192 -108441.5427 300.9647 234.9560 254.4851 760929.2586 8.5847 8.4866 PRESSURE: 4560000 -259.433 -16.1842 -208.195 -16.1836 -232.183 207.062 -208.194 207.063 -467.293 GPRESSURE: 4560000 -238.157 -111.351 -167.509 60.9865 -188.302 247.073 -241.429 170.082 -451.481 PRESSAVG: 4560000 -55.2416 -81.5604 -18.6613 -81.5604 53.5534 -19.2973 -18.6614 -19.2973 12.3859 GPRESSAVG: 4560000 -54.2673 -83.2663 -18.6871 -79.3355 54.74 -19.0078 -20.5031 -16.7539 10.6831 TIMING: 4560000 CPU: 14241.6, 0.00309103/step Wall: 14241.6, 0.00309103/step, 0.377792 hours remaining, 234.160156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4560000 3909.0998 20720.1100 14487.5050 237.4621 -202490.0329 2151.0487 0.0000 0.0000 52356.2496 -108628.5576 300.8921 -160984.8073 -108266.0292 300.6715 -319.6362 -292.6467 762086.1138 3.5659 3.7186 PRESSURE: 4560200 -241.76 -70.048 -186.124 -70.0487 -290.513 -8.1251 -186.125 -8.12561 213.441 GPRESSURE: 4560200 -220.408 -110.97 -199.287 -99.4425 -198.688 63.8028 -90.003 -38.058 173.812 PRESSAVG: 4560200 21.5718 -27.3543 -53.4994 -27.3543 19.1814 26.1085 -53.4994 26.1085 6.86353 GPRESSAVG: 4560200 21.401 -25.2194 -53.2548 -28.4574 19.5467 25.4988 -52.8111 23.2798 7.28303 TIMING: 4560200 CPU: 14242.2, 0.0031054/step Wall: 14242.2, 0.0031054/step, 0.379377 hours remaining, 234.160156 MB of memory in use. ENERGY: 4560200 3994.7401 20614.0594 14420.5368 241.9160 -203303.1830 2884.0164 0.0000 0.0000 52429.1681 -108718.7462 301.3111 -161147.9143 -108346.3836 300.7100 -106.2772 -81.7612 762413.2223 15.8723 16.0769 LDB: ============= START OF LOAD BALANCING ============== 14254.7 LDB: ============== END OF LOAD BALANCING =============== 14254.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14254.7 LDB: ============= START OF LOAD BALANCING ============== 14255 LDB: Largest compute 7026 load 0.031074 is 15.9% of average load 0.195351 LDB: Average compute 0.004405 is 2.3% of average load 0.195351 LDB: TIME 14255 LOAD: AVG 0.195351 MAX 0.215633 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.32 MB LDB: TIME 14255 LOAD: AVG 0.195351 MAX 0.215633 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.32 MB LDB: TIME 14255 LOAD: AVG 0.195351 MAX 0.215633 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.32 MB LDB: ============== END OF LOAD BALANCING =============== 14255 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14255 PRESSURE: 4560400 -82.6388 27.4646 -173.955 27.4645 65.4026 23.197 -173.954 23.1965 481.73 GPRESSURE: 4560400 -32.5163 -93.2437 -110.09 80.7411 112.404 112.444 -223.162 -97.5266 462.8 PRESSAVG: 4560400 -0.710601 -6.64271 6.98579 -6.64274 -22.6247 5.1834 6.98583 5.18338 -23.4148 GPRESSAVG: 4560400 -0.037747 -7.3136 8.00426 -7.94202 -23.3886 5.71626 5.09352 5.75511 -23.8175 TIMING: 4560400 CPU: 14242.8, 0.0031621/step Wall: 14242.8, 0.0031621/step, 0.386128 hours remaining, 235.089844 MB of memory in use. ENERGY: 4560400 4008.7618 20486.6241 14376.2546 255.7178 -202981.0261 2756.8020 0.0000 0.0000 52075.8571 -109021.0085 299.2807 -161096.8657 -108662.0919 300.3594 154.8312 180.8960 763469.9150 -15.5834 -15.7479 PRESSURE: 4560600 -322.162 -30.0024 43.8828 -30.0014 -73.7141 106.664 43.8829 106.664 -74.6009 GPRESSURE: 4560600 -266.624 24.8273 -8.91671 13.464 -68.378 62.9227 32.1257 73.6128 -53.1344 PRESSAVG: 4560600 -26.5382 -15.1264 -27.4544 -15.1264 6.14336 29.4073 -27.4543 29.4072 25.553 GPRESSAVG: 4560600 -27.5469 -14.7657 -27.063 -14.6835 5.81155 29.5107 -25.6584 28.6817 26.5051 TIMING: 4560600 CPU: 14243.4, 0.00311599/step Wall: 14243.4, 0.00311599/step, 0.380324 hours remaining, 235.210938 MB of memory in use. ENERGY: 4560600 4054.6720 20427.1299 14291.4868 247.2795 -202728.1741 2530.0820 0.0000 0.0000 52240.2556 -108937.2682 300.2255 -161177.5238 -108575.8168 299.9439 -156.8256 -129.3788 763959.7981 1.7194 1.5899 PRESSURE: 4560800 -113.42 82.0148 -95.9877 82.0145 -86.3144 -41.7386 -95.9879 -41.7378 -132.761 GPRESSURE: 4560800 10.9498 25.4365 -75.8436 164.825 -114.664 52.5251 -104.482 18.2987 -170.937 PRESSAVG: 4560800 9.65701 -40.0682 -48.5562 -40.0682 -24.2418 21.8055 -48.5562 21.8055 10.1612 GPRESSAVG: 4560800 10.1767 -39.9181 -50.6122 -41.0917 -24.5429 21.0149 -49.031 22.2132 9.89584 TIMING: 4560800 CPU: 14244.1, 0.00310765/step Wall: 14244.1, 0.00310765/step, 0.379134 hours remaining, 235.414062 MB of memory in use. ENERGY: 4560800 3988.5822 20476.5219 14481.0718 242.5860 -202802.2101 2363.7070 0.0000 0.0000 52281.6087 -108968.1325 300.4631 -161249.7412 -108610.1569 300.7190 -110.8320 -91.5501 762343.0040 -1.4745 -1.4901 PRESSURE: 4561000 -181.63 45.3813 -207.751 45.3801 -172.08 -9.26641 -207.751 -9.26644 -0.839902 GPRESSURE: 4561000 -115.315 -53.9457 -114.198 -9.17539 -217.904 -117.056 -259.953 64.719 53.9702 PRESSAVG: 4561000 26.995 -59.9369 -36.8104 -59.9369 -15.9769 34.2852 -36.8104 34.2852 -14.4591 GPRESSAVG: 4561000 26.8954 -59.6822 -33.7592 -59.2197 -16.1529 33.4016 -36.6636 35.15 -14.6806 TIMING: 4561000 CPU: 14244.7, 0.003117/step Wall: 14244.7, 0.003117/step, 0.380101 hours remaining, 235.414062 MB of memory in use. ENERGY: 4561000 3967.5127 20679.8012 14429.3180 251.3898 -203003.4514 2619.7700 0.0000 0.0000 52148.6104 -108907.0493 299.6988 -161055.6597 -108538.6668 299.9965 -118.1835 -93.0832 762365.6935 -1.1470 -1.3127 PRESSURE: 4561200 267.654 59.3117 -47.6078 59.3122 -131.651 -81.9291 -47.608 -81.9298 -145.466 GPRESSURE: 4561200 224.345 63.3856 -50.7551 104.965 12.446 -31.0917 -47.907 -103.335 -168.876 PRESSAVG: 4561200 70.7354 -33.0848 -46.6746 -33.0848 -23.9076 78.5058 -46.6746 78.5058 1.75075 GPRESSAVG: 4561200 69.752 -34.0347 -48.5215 -32.0529 -23.9532 78.7649 -45.3722 77.4528 2.64011 TIMING: 4561200 CPU: 14245.3, 0.00313843/step Wall: 14245.3, 0.00313843/step, 0.382539 hours remaining, 235.414062 MB of memory in use. ENERGY: 4561200 3966.2735 20665.3602 14436.0230 243.0540 -202861.9757 2445.2972 0.0000 0.0000 52329.0877 -108776.8801 300.7360 -161105.9678 -108416.7166 300.1529 -3.1545 22.6384 762921.1408 16.1928 16.1463 PRESSURE: 4561400 74.362 -1.87313 47.0007 -1.87251 -42.0977 -23.3545 47.0012 -23.3535 214.943 GPRESSURE: 4561400 67.2446 16.3845 13.265 -143.638 70.4072 -90.9076 -59.8509 60.8823 198.504 PRESSAVG: 4561400 15.3565 5.89205 -25.2245 5.89204 -46.5926 52.5782 -25.2245 52.5782 -13.8535 GPRESSAVG: 4561400 17.2479 6.81986 -25.1414 5.8463 -46.9063 54.749 -27.1431 53.0001 -15.4095 TIMING: 4561400 CPU: 14245.9, 0.00313291/step Wall: 14245.9, 0.00313291/step, 0.381693 hours remaining, 235.414062 MB of memory in use. ENERGY: 4561400 4054.9925 20479.3705 14481.7473 242.6550 -203465.7111 3057.6303 0.0000 0.0000 52355.4631 -108793.8525 300.8876 -161149.3155 -108425.3180 300.5611 82.4024 112.0520 761429.8583 -15.0298 -15.0226 PRESSURE: 4561600 -118.968 150.334 -21.6483 150.334 -160.644 -221.251 -21.6484 -221.25 424.24 GPRESSURE: 4561600 -54.2631 -19.1433 -28.6065 121.121 -206.867 -128.769 -22.5023 -221.572 509.726 PRESSAVG: 4561600 11.7909 9.10052 -40.5237 9.10051 -9.35764 -2.61739 -40.5236 -2.61733 9.72594 GPRESSAVG: 4561600 9.84648 6.20209 -41.2911 8.26222 -8.36955 -3.83664 -38.1947 -3.01651 10.593 TIMING: 4561600 CPU: 14246.6, 0.00313892/step Wall: 14246.6, 0.00313892/step, 0.38225 hours remaining, 235.414062 MB of memory in use. ENERGY: 4561600 4010.5625 20711.9969 14463.4551 250.9970 -203161.9753 2668.5132 0.0000 0.0000 52231.1396 -108825.3110 300.1731 -161056.4506 -108457.4847 300.4091 48.2092 82.8651 763567.1761 4.0531 4.0233 PRESSURE: 4561800 -454.418 -28.4248 -18.614 -28.4246 21.0539 201.544 -18.6143 201.543 -322.271 GPRESSURE: 4561800 -395.618 9.95958 41.4959 -13.8327 4.95984 138.738 23.8636 181.564 -281.465 PRESSAVG: 4561800 -14.095 -27.6899 16.0591 -27.6899 20.8658 13.3836 16.0592 13.3835 6.59485 GPRESSAVG: 4561800 -13.6991 -25.328 16.1434 -27.8658 20.0678 12.9288 15.0952 13.546 7.02786 TIMING: 4561800 CPU: 14247.2, 0.0031195/step Wall: 14247.2, 0.0031195/step, 0.379713 hours remaining, 235.414062 MB of memory in use. ENERGY: 4561800 3981.5481 20511.5153 14465.7749 245.0244 -203442.6701 2812.8874 0.0000 0.0000 52348.5156 -109077.4044 300.8476 -161425.9200 -108716.8960 300.3280 -251.8784 -224.0411 765090.2792 4.4552 4.4655 PRESSURE: 4562000 -347.247 111.118 -44.2455 111.118 -36.2749 124.611 -44.2454 124.609 -359.402 GPRESSURE: 4562000 -319.469 99.8946 -64.042 71.6566 15.4204 179.132 -78.3597 74.4847 -349.349 PRESSAVG: 4562000 38.6833 -19.4284 13.5917 -19.4284 -17.7529 27.2541 13.5918 27.2541 -30.9922 GPRESSAVG: 4562000 39.1166 -21.24 14.4574 -19.1081 -17.7721 27.2937 14.2464 28.6319 -31.3214 TIMING: 4562000 CPU: 14247.8, 0.00308556/step Wall: 14247.8, 0.00308556/step, 0.37541 hours remaining, 235.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4562000 3964.7560 20549.5630 14426.4205 242.4654 -203231.9639 2814.6415 0.0000 0.0000 51959.8574 -109274.2600 298.6140 -161234.1174 -108924.3290 299.7520 -247.6413 -217.7994 764361.8981 -3.3539 -3.3256 PRESSURE: 4562200 220.109 -186.31 314.528 -186.31 340.208 -10.0674 314.527 -10.0672 347.234 GPRESSURE: 4562200 157.502 -159.376 349.046 -60.9563 411.464 75.1882 116.041 -66.9688 409.805 PRESSAVG: 4562200 21.3287 -21.6724 -14.8966 -21.6724 32.2313 -11.577 -14.8967 -11.577 0.585207 GPRESSAVG: 4562200 20.8657 -23.3256 -14.8548 -20.0104 33.0223 -9.5259 -17.0298 -14.2034 0.387071 TIMING: 4562200 CPU: 14248.4, 0.00310574/step Wall: 14248.4, 0.00310574/step, 0.377692 hours remaining, 235.414062 MB of memory in use. ENERGY: 4562200 3999.4877 20467.6378 14391.4618 264.0818 -203336.1622 2750.1612 0.0000 0.0000 52249.3756 -109213.9563 300.2779 -161463.3318 -108857.6144 299.7465 302.5172 326.2570 762983.7785 18.0484 18.0917 PRESSURE: 4562400 -108.9 -147.443 -38.2719 -147.444 -163.763 -99.213 -38.2714 -99.2134 45.794 GPRESSURE: 4562400 -20.5864 -148.836 -11.6668 31.2102 -133.491 -194.071 -81.9443 10.7226 17.1099 PRESSAVG: 4562400 -3.3739 -45.4667 -0.180771 -45.4667 33.4757 6.87369 -0.180778 6.87365 -12.1688 GPRESSAVG: 4562400 -2.88884 -41.6462 0.563433 -47.5046 33.0556 5.68605 -1.24523 7.6852 -11.4294 TIMING: 4562400 CPU: 14249.1, 0.00308711/step Wall: 14249.1, 0.00308711/step, 0.375255 hours remaining, 235.414062 MB of memory in use. ENERGY: 4562400 3964.7088 20362.6750 14432.3721 238.5195 -203068.1850 2560.0703 0.0000 0.0000 52372.8933 -109136.9458 300.9877 -161509.8391 -108759.5819 299.3651 -75.6230 -45.6557 764094.0234 5.9777 6.2458 PRESSURE: 4562600 -104.804 -173.56 -253.293 -173.56 28.0439 -159.421 -253.293 -159.419 236.605 GPRESSURE: 4562600 -81.6802 -54.9739 -235.724 -126.247 72.1395 -247.549 -115.759 12.885 265.899 PRESSAVG: 4562600 49.6126 -49.414 -36.591 -49.4141 -10.4575 13.1672 -36.5911 13.1672 3.33941 GPRESSAVG: 4562600 49.3962 -49.9791 -36.7397 -49.4881 -9.50071 10.9103 -33.54 13.9215 2.58934 TIMING: 4562600 CPU: 14249.7, 0.00310379/step Wall: 14249.7, 0.00310379/step, 0.37711 hours remaining, 235.414062 MB of memory in use. ENERGY: 4562600 3991.1482 20671.1211 14434.2541 261.9306 -203653.2552 2957.0258 0.0000 0.0000 52040.9943 -109296.7811 299.0803 -161337.7754 -108953.5579 299.9211 53.2817 85.4529 761325.8877 14.1648 14.1616 PRESSURE: 4562800 -139.94 -192.148 44.7056 -192.148 -332.354 88.5126 44.7052 88.5119 120.878 GPRESSURE: 4562800 -43.5721 -223.031 41.6624 -207.284 -258.887 68.9126 42.9655 -10.753 65.8062 PRESSAVG: 4562800 -0.689557 -22.955 42.3505 -22.955 32.5594 -5.20053 42.3504 -5.20052 9.72055 GPRESSAVG: 4562800 0.0748235 -23.078 41.7923 -22.6218 32.285 -2.39238 40.556 -5.9956 9.23858 TIMING: 4562800 CPU: 14250.3, 0.0030927/step Wall: 14250.3, 0.0030927/step, 0.375592 hours remaining, 235.414062 MB of memory in use. ENERGY: 4562800 4033.1848 20517.0137 14426.8375 239.6798 -203534.6762 2864.1094 0.0000 0.0000 51893.2195 -109560.6316 298.2310 -161453.8510 -109204.1028 299.2587 -117.1387 -78.8844 762435.9815 13.8635 13.8661 PRESSURE: 4563000 -126.286 -30.957 23.5925 -30.9568 -128.641 -106.246 23.5928 -106.246 -445.506 GPRESSURE: 4563000 -58.6172 -84.0069 61.9378 11.1687 -100.757 -173.345 71.923 -170.248 -470.058 PRESSAVG: 4563000 -58.159 -35.9126 51.8171 -35.9126 5.49671 -19.0515 51.8171 -19.0515 -14.6434 GPRESSAVG: 4563000 -58.4736 -36.6778 51.1173 -36.7264 5.75077 -19.0694 50.2277 -19.3299 -14.4712 TIMING: 4563000 CPU: 14250.9, 0.00310099/step Wall: 14250.9, 0.00310099/step, 0.376425 hours remaining, 235.414062 MB of memory in use. ENERGY: 4563000 4043.2858 20643.1240 14451.5649 258.8078 -203609.6809 2740.3357 0.0000 0.0000 52016.9641 -109455.5986 298.9422 -161472.5626 -109085.2995 299.0817 -233.4776 -209.8106 762913.8563 -22.4352 -22.3980 PRESSURE: 4563200 100.609 99.3951 15.6929 99.3947 -111.475 74.7167 15.6916 74.7167 -624.92 GPRESSURE: 4563200 62.4802 -12.7459 -95.005 145.554 -33.1907 12.591 20.4285 272.157 -591.294 PRESSAVG: 4563200 23.1247 10.395 10.6298 10.395 6.97475 1.22136 10.6298 1.22135 9.05924 GPRESSAVG: 4563200 23.7 9.19641 12.7834 11.3023 5.08748 -1.67481 14.049 3.86399 10.2927 TIMING: 4563200 CPU: 14251.5, 0.00309332/step Wall: 14251.5, 0.00309332/step, 0.375323 hours remaining, 235.484375 MB of memory in use. ENERGY: 4563200 3996.2892 20633.9387 14410.8399 258.5470 -203391.9453 2713.0246 0.0000 0.0000 52126.7833 -109252.5225 299.5733 -161379.3058 -108884.4670 299.3499 -211.9290 -187.3349 762848.8568 13.0529 13.0267 PRESSURE: 4563400 339.694 55.8154 -66.2669 55.815 161.189 24.6815 -66.2678 24.6801 -4.19063 GPRESSURE: 4563400 261.526 219.007 -63.4075 9.85547 223.509 12.0798 -117.718 67.8708 81.3288 PRESSAVG: 4563400 3.96091 -3.37097 27.987 -3.37097 -51.935 15.0176 27.9869 15.0176 -2.11377 GPRESSAVG: 4563400 2.18644 -1.40165 27.502 -3.10503 -50.4578 18.2461 26.0596 14.4911 -1.88286 TIMING: 4563400 CPU: 14252.1, 0.00310373/step Wall: 14252.1, 0.00310373/step, 0.376413 hours remaining, 235.484375 MB of memory in use. ENERGY: 4563400 3993.2585 20569.7381 14461.3089 228.0288 -203026.1604 2760.6170 0.0000 0.0000 51811.1093 -109202.0998 297.7592 -161013.2091 -108835.4134 299.0142 165.5639 188.7878 762101.6663 -16.6960 -16.7181 PRESSURE: 4563600 -73.4239 -81.6359 -91.6996 -81.6367 -236.305 -136.993 -91.6994 -136.995 -315.156 GPRESSURE: 4563600 32.7349 -82.7766 -136.479 4.97396 -299.253 -117.039 43.8182 -179.98 -265.506 PRESSAVG: 4563600 -35.2693 -55.0626 14.9842 -55.0626 11.0936 1.3804 14.9842 1.38033 9.11723 GPRESSAVG: 4563600 -33.6316 -55.7373 13.7596 -56.451 10.8773 -0.240521 16.2087 -1.05507 7.76923 TIMING: 4563600 CPU: 14252.8, 0.00312461/step Wall: 14252.8, 0.00312461/step, 0.378773 hours remaining, 235.484375 MB of memory in use. ENERGY: 4563600 4024.9504 20549.9288 14402.2540 248.3625 -203412.1042 2804.2884 0.0000 0.0000 52061.5968 -109320.7234 299.1987 -161382.3202 -108958.4769 299.2484 -208.2951 -177.3413 762907.8044 -5.0195 -4.9950 PRESSURE: 4563800 -527.013 -115.069 -5.43193 -115.069 -315.506 -62.1428 -5.4327 -62.1432 -374.391 GPRESSURE: 4563800 -505.87 -76.2681 29.5113 -188.739 -317.3 29.6044 -79.1573 -55.9862 -297.8 PRESSAVG: 4563800 -32.7968 -42.9153 15.7403 -42.9152 -0.262847 -17.3056 15.7403 -17.3056 -19.5946 GPRESSAVG: 4563800 -33.4314 -43.2238 16.1872 -41.6573 -1.53123 -17.6508 15.7382 -15.5807 -17.8753 TIMING: 4563800 CPU: 14253.4, 0.00312468/step Wall: 14253.4, 0.00312468/step, 0.378607 hours remaining, 235.484375 MB of memory in use. ENERGY: 4563800 4080.9489 20561.2883 14445.9646 262.3582 -202950.1699 2435.7322 0.0000 0.0000 52008.3208 -109155.5570 298.8925 -161163.8778 -108795.4525 299.0576 -405.6371 -373.6566 762836.3065 -17.5514 -17.6126 PRESSURE: 4564000 -135.066 -122.359 97.3145 -122.359 -226.469 -10.4454 97.3135 -10.4459 -38.7661 GPRESSURE: 4564000 -66.0067 -211.873 23.8499 -2.57697 -210.587 91.2674 117.113 45.035 -12.1228 PRESSAVG: 4564000 -25.8745 -51.2516 43.491 -51.2516 45.9864 -51.4422 43.491 -51.4422 18.7418 GPRESSAVG: 4564000 -25.331 -52.0833 44.4118 -51.8823 47.354 -50.8104 43.6358 -52.1728 17.1296 TIMING: 4564000 CPU: 14254, 0.00314942/step Wall: 14254, 0.00314942/step, 0.38143 hours remaining, 235.484375 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: 4564000 3947.1123 20479.0788 14468.7930 233.5863 -203333.5907 2651.3890 0.0000 0.0000 52344.8944 -109208.7368 300.8268 -161553.6312 -108839.5933 300.1100 -133.4338 -96.2388 761134.0293 12.9512 13.0509 PRESSURE: 4564200 -329.444 -148.938 98.5961 -148.939 -70.6709 -9.43812 98.5948 -9.4387 -108.361 GPRESSURE: 4564200 -312.114 -248.445 7.88491 -132.887 -56.3317 29.171 181.475 116.548 -59.234 PRESSAVG: 4564200 -8.9496 -48.3304 19.1856 -48.3304 -11.0927 -26.246 19.1856 -26.246 6.17913 GPRESSAVG: 4564200 -9.57193 -48.8674 16.8782 -48.3233 -11.0711 -25.4004 19.8757 -25.8167 7.27843 TIMING: 4564200 CPU: 14254.7, 0.00313863/step Wall: 14254.7, 0.00313863/step, 0.379948 hours remaining, 235.468750 MB of memory in use. ENERGY: 4564200 3973.0458 20789.1620 14420.1102 251.8600 -203269.1840 2590.4018 0.0000 0.0000 52165.0297 -109079.5744 299.7931 -161244.6042 -108716.1668 300.0350 -169.4922 -142.5598 763858.4533 -4.6211 -4.4549 LDB: ============= START OF LOAD BALANCING ============== 14267.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14267.1 LDB: =============== DONE WITH MIGRATION ================ 14267.1 LDB: ============= START OF LOAD BALANCING ============== 14267.4 LDB: Largest compute 7030 load 0.032892 is 16.8% of average load 0.195360 LDB: Average compute 0.004424 is 2.3% of average load 0.195360 LDB: TIME 14267.5 LOAD: AVG 0.19536 MAX 0.220162 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.102 MB LDB: TIME 14267.5 LOAD: AVG 0.19536 MAX 0.220162 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.305 MB LDB: TIME 14267.5 LOAD: AVG 0.19536 MAX 0.216203 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.305 MB LDB: ============== END OF LOAD BALANCING =============== 14267.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14267.5 PRESSURE: 4564400 -144.776 -107.126 140.344 -107.127 172.049 -113.118 140.344 -113.117 -377.015 GPRESSURE: 4564400 -56.1622 -86.8499 168.127 -125.507 189.073 -88.3452 -36.0211 -186.154 -398.954 PRESSAVG: 4564400 -59.2286 -10.4137 -13.6098 -10.4137 51.2129 18.0441 -13.6098 18.0441 -0.363548 GPRESSAVG: 4564400 -58.1055 -8.80976 -11.1735 -8.41112 49.7601 16.5025 -15.614 15.3502 -0.102355 TIMING: 4564400 CPU: 14255.3, 0.00319168/step Wall: 14255.3, 0.00319168/step, 0.386193 hours remaining, 236.046875 MB of memory in use. ENERGY: 4564400 3999.6756 20550.2241 14414.4231 253.9374 -203436.7772 2716.5359 0.0000 0.0000 52242.2787 -109259.7023 300.2371 -161501.9810 -108894.3627 299.9272 -116.5810 -88.6809 763025.1646 -2.7931 -2.8159 PRESSURE: 4564600 72.0017 14.1239 -43.824 14.1242 -261.229 -223.983 -43.8236 -223.983 -167.41 GPRESSURE: 4564600 -10.3609 -48.9286 -60.2595 179.765 -216.175 -238.29 -28.6284 -168.876 -62.9113 PRESSAVG: 4564600 -51.1922 -12.4531 -17.8926 -12.453 61.6284 -30.3914 -17.8926 -30.3914 5.47651 GPRESSAVG: 4564600 -51.2828 -11.7032 -20.0045 -14.7738 62.4894 -29.6994 -17.0801 -29.7948 4.6066 TIMING: 4564600 CPU: 14255.9, 0.0031128/step Wall: 14255.9, 0.00311281/step, 0.376476 hours remaining, 236.265625 MB of memory in use. ENERGY: 4564600 3953.4747 20531.3909 14438.4225 235.6284 -203299.7261 2599.2902 0.0000 0.0000 52265.8420 -109275.6774 300.3725 -161541.5195 -108911.1510 299.8134 -118.8790 -96.4824 762947.0377 5.3042 5.2711 PRESSURE: 4564800 -0.542995 -101.841 192.373 -101.842 158.826 117.245 192.373 117.245 117.088 GPRESSURE: 4564800 -65.468 -41.3983 219.591 -127.389 254.7 36.1158 126.661 189.319 157.294 PRESSAVG: 4564800 -17.2859 -30.4967 -20.6801 -30.4967 5.84332 -15.6291 -20.6801 -15.6291 10.4212 GPRESSAVG: 4564800 -17.5619 -33.2558 -18.4952 -29.0274 6.3196 -17.4972 -22.2646 -13.7019 10.0364 TIMING: 4564800 CPU: 14256.5, 0.00310622/step Wall: 14256.5, 0.00310622/step, 0.375507 hours remaining, 236.265625 MB of memory in use. ENERGY: 4564800 4021.7520 20609.8968 14510.7895 281.0829 -203520.7602 2806.0006 0.0000 0.0000 52060.1075 -109231.1308 299.1902 -161291.2383 -108873.9102 299.5978 91.7902 115.5087 762366.2952 -0.3405 -0.4020 PRESSURE: 4565000 -528.567 48.1497 291.342 48.1494 241.758 -152.523 291.342 -152.524 229.854 GPRESSURE: 4565000 -423.306 15.1815 403.461 -65.5683 252.327 -157.895 178.378 -60.1332 212.979 PRESSAVG: 4565000 -8.21311 -40.48 -25.742 -40.48 17.4528 66.9472 -25.742 66.9473 -7.41393 GPRESSAVG: 4565000 -8.28783 -37.0534 -26.6497 -44.6608 17.5845 66.07 -23.9444 65.5899 -7.51837 TIMING: 4565000 CPU: 14257.2, 0.00312286/step Wall: 14257.2, 0.00312286/step, 0.377346 hours remaining, 236.324219 MB of memory in use. ENERGY: 4565000 3947.2169 20613.8817 14365.0190 244.2444 -203045.7528 2606.3021 0.0000 0.0000 52012.2035 -109256.8852 298.9148 -161269.0887 -108891.3265 299.4024 -18.9852 13.9997 762772.1249 0.6086 0.5928 PRESSURE: 4565200 159.378 86.9608 -45.3769 86.961 151.667 206.027 -45.3769 206.028 -545.635 GPRESSURE: 4565200 218.147 223.3 -69.5104 9.68406 124.123 245.695 -19.5409 172.648 -475.039 PRESSAVG: 4565200 -12.052 -12.3839 15.3181 -12.384 71.4937 63.7058 15.3181 63.7057 -9.58495 GPRESSAVG: 4565200 -11.8024 -13.9194 15.1351 -9.94661 70.5795 64.9758 15.8468 66.1175 -9.34361 TIMING: 4565200 CPU: 14257.8, 0.00312371/step Wall: 14257.8, 0.00312371/step, 0.377275 hours remaining, 236.312500 MB of memory in use. ENERGY: 4565200 4015.3189 20518.6628 14435.7777 239.9326 -203183.9814 2579.1187 0.0000 0.0000 51983.6047 -109411.5660 298.7505 -161395.1707 -109045.4155 299.0627 -78.1965 -44.2563 761715.8169 16.6189 16.4778 PRESSURE: 4565400 -140.257 -157.024 93.3632 -157.023 74.4776 93.9234 93.3633 93.9238 -192.074 GPRESSURE: 4565400 -104.521 -58.5077 99.4918 -51.0883 111.879 97.3119 59.4059 -56.9195 -175.765 PRESSAVG: 4565400 -57.3021 -27.08 -22.1777 -27.0799 42.5768 58.6666 -22.1777 58.6666 -0.0749853 GPRESSAVG: 4565400 -57.3552 -28.2772 -22.2058 -26.3926 43.1023 59.6199 -22.8181 57.7652 0.113113 TIMING: 4565400 CPU: 14258.4, 0.00312942/step Wall: 14258.4, 0.00312942/step, 0.37779 hours remaining, 236.335938 MB of memory in use. ENERGY: 4565400 3915.0115 20607.7510 14311.4660 242.3179 -203496.9092 2643.2617 0.0000 0.0000 52410.0793 -109367.0218 301.2014 -161777.1011 -109003.1114 299.6092 -85.9513 -56.1356 762350.7126 -4.9334 -4.7133 PRESSURE: 4565600 -90.234 -39.4865 -136.414 -39.4871 147.326 69.4507 -136.415 69.451 54.2398 GPRESSURE: 4565600 -87.819 -9.83341 -169.087 -7.48932 274.197 17.8184 7.75794 49.8327 5.46077 PRESSAVG: 4565600 -47.7097 -17.5784 -26.5046 -17.5784 31.2498 1.6694 -26.5045 1.66943 11.6378 GPRESSAVG: 4565600 -47.4036 -17.8673 -26.6906 -16.1688 31.9685 1.48447 -26.5013 1.09362 10.3114 TIMING: 4565600 CPU: 14259, 0.00313317/step Wall: 14259, 0.00313317/step, 0.378069 hours remaining, 236.335938 MB of memory in use. ENERGY: 4565600 3956.3980 20425.2481 14511.2761 251.8657 -203308.9136 2580.3278 0.0000 0.0000 52210.5851 -109373.2128 300.0550 -161583.7980 -109010.9849 299.2158 37.1106 63.9461 762723.5707 -1.6074 -1.7079 PRESSURE: 4565800 265.862 110.541 -8.52613 110.54 -233.702 -75.9126 -8.52646 -75.9129 -62.7554 GPRESSURE: 4565800 308.848 52.6036 58.8785 63.5424 -235.071 2.32653 -64.9601 2.24087 -15.0088 PRESSAVG: 4565800 -21.4813 13.1248 -38.0385 13.1249 33.246 35.5163 -38.0385 35.5164 -8.83217 GPRESSAVG: 4565800 -22.3006 13.4834 -38.2745 10.798 33.5967 35.7658 -39.7507 35.8512 -8.12562 TIMING: 4565800 CPU: 14259.7, 0.00308711/step Wall: 14259.7, 0.00308711/step, 0.37234 hours remaining, 236.324219 MB of memory in use. ENERGY: 4565800 4049.0273 20599.0202 14426.3289 243.1767 -203549.9207 2735.9471 0.0000 0.0000 51890.0983 -109606.3223 298.2131 -161496.4206 -109249.1340 298.7425 -10.1985 19.5895 762258.0983 0.9775 1.0569 PRESSURE: 4566000 148.271 30.4439 40.7815 30.4436 65.552 135.338 40.7813 135.337 -21.2986 GPRESSURE: 4566000 103.322 -94.9443 64.966 60.7167 68.2955 151.252 71.2823 169.36 113.248 PRESSAVG: 4566000 -56.1424 46.9038 18.2135 46.9039 73.0524 45.4168 18.2135 45.4169 5.28811 GPRESSAVG: 4566000 -57.3711 47.2062 18.5051 48.2728 72.5573 44.8087 19.7433 45.7549 6.55337 TIMING: 4566000 CPU: 14260.3, 0.00310844/step Wall: 14260.3, 0.00310844/step, 0.374739 hours remaining, 236.335938 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: 4566000 3979.9385 20438.8265 14470.3845 236.9515 -203655.4504 2947.4109 0.0000 0.0000 51805.8785 -109776.0599 297.7291 -161581.9385 -109405.7186 298.9937 64.1747 94.9552 762718.0923 7.3994 7.2465 PRESSURE: 4566200 -20.4483 120.716 -57.6479 120.716 -184.633 150.687 -57.6481 150.687 -194.661 GPRESSURE: 4566200 -21.8263 179.355 3.91011 198.305 -173.874 150.396 -30.4455 110.794 -133.13 PRESSAVG: 4566200 -7.84466 -21.3795 3.84736 -21.3794 46.8963 40.9789 3.84741 40.9789 -5.8978 GPRESSAVG: 4566200 -6.10195 -22.2502 3.52424 -20.7921 46.0909 41.013 5.91711 41.7468 -7.01227 TIMING: 4566200 CPU: 14260.9, 0.00311793/step Wall: 14260.9, 0.00311793/step, 0.37571 hours remaining, 236.335938 MB of memory in use. ENERGY: 4566200 3968.3407 20313.2369 14371.5306 231.3301 -203535.2586 2777.9721 0.0000 0.0000 52012.4175 -109860.4307 298.9161 -161872.8481 -109500.9872 298.2216 -133.2475 -109.6101 762671.0355 11.0513 10.9922 PRESSURE: 4566400 -224.879 62.4907 43.3081 62.49 4.67425 -115.476 43.3078 -115.476 249.358 GPRESSURE: 4566400 -262.617 -24.2502 33.9213 15.7623 117.103 -147.549 -59.3216 -125.475 259.169 PRESSAVG: 4566400 -3.39908 30.188 15.1022 30.1881 -51.2891 42.9676 15.1022 42.9676 -17.2999 GPRESSAVG: 4566400 -4.96455 32.1052 14.4969 28.2414 -50.632 42.0047 11.581 43.5251 -16.5019 TIMING: 4566400 CPU: 14261.5, 0.00311785/step Wall: 14261.5, 0.00311785/step, 0.375528 hours remaining, 236.335938 MB of memory in use. ENERGY: 4566400 3918.7418 20351.2717 14403.8240 241.5818 -203131.6704 2514.3402 0.0000 0.0000 51920.2899 -109781.6211 298.3866 -161701.9110 -109418.3654 298.5273 9.7177 37.8850 763975.8377 -23.9960 -24.0328 PRESSURE: 4566600 165.65 -19.0432 -161.465 -19.0426 -74.2815 130.053 -161.465 130.053 203.115 GPRESSURE: 4566600 216.24 -117.305 -155.62 -34.6446 -10.0303 108.55 -94.704 64.8494 179.063 PRESSAVG: 4566600 11.1908 -43.1447 14.2309 -43.1447 -29.5533 11.9417 14.2309 11.9417 8.41945 GPRESSAVG: 4566600 11.8865 -45.0284 14.6529 -41.3066 -29.08 12.6574 14.9912 10.0744 7.35946 TIMING: 4566600 CPU: 14262.2, 0.00312826/step Wall: 14262.2, 0.00312826/step, 0.376607 hours remaining, 236.335938 MB of memory in use. ENERGY: 4566600 3994.2923 20403.1620 14394.0729 257.0953 -203137.0048 2769.6020 0.0000 0.0000 51729.3525 -109589.4278 297.2893 -161318.7803 -109223.3579 298.4574 98.1614 128.4244 764699.2740 -3.3143 -3.2780 PRESSURE: 4566800 57.8865 -360.397 127.477 -360.397 -27.9349 -26.22 127.477 -26.2193 97.1067 GPRESSURE: 4566800 -30.7031 -308.343 36.6948 -258.687 60.1036 -31.6008 126.821 -81.0096 165.678 PRESSAVG: 4566800 30.5127 -32.4391 13.8557 -32.4391 -37.7011 25.3412 13.8557 25.3412 -1.33317 GPRESSAVG: 4566800 30.7012 -31.5514 14.5722 -32.9202 -38.5546 26.0273 13.9029 26.018 -0.572838 TIMING: 4566800 CPU: 14262.8, 0.00312132/step Wall: 14262.8, 0.00312132/step, 0.375598 hours remaining, 236.335938 MB of memory in use. ENERGY: 4566800 3974.8639 20477.3078 14338.9022 238.5352 -203465.9597 2877.5479 0.0000 0.0000 51937.4168 -109621.3859 298.4850 -161558.8027 -109261.0194 298.6635 42.3528 65.0262 763856.9734 -2.8405 -2.8087 PRESSURE: 4567000 49.8472 -47.1566 99.8091 -47.157 -211.918 12.7142 99.8102 12.7152 185.831 GPRESSURE: 4567000 76.2929 -136.178 139.273 -36.3105 -99.9489 -114.543 65.8983 -9.87247 152.076 PRESSAVG: 4567000 -34.1236 -31.7849 80.9765 -31.7849 22.3769 28.4152 80.9765 28.4153 0.197153 GPRESSAVG: 4567000 -34.7965 -33.4107 82.3351 -32.2213 23.1357 25.772 80.0072 30.7056 -0.0278553 TIMING: 4567000 CPU: 14263.4, 0.00309589/step Wall: 14263.4, 0.00309589/step, 0.372367 hours remaining, 236.335938 MB of memory in use. ENERGY: 4567000 3959.3159 20491.4269 14455.5886 235.0790 -203353.1455 2758.8615 0.0000 0.0000 51664.1986 -109788.6749 296.9149 -161452.8735 -109433.7179 298.3869 7.9201 42.8067 762560.8922 -3.8498 -3.8962 PRESSURE: 4567200 235.424 -106.245 20.4594 -106.245 -29.0857 226.334 20.4581 226.336 -188.334 GPRESSURE: 4567200 286.674 -123.349 -72.8575 -108.715 -29.6577 294.561 -39.489 110.353 -151.029 PRESSAVG: 4567200 14.6728 -61.023 34.8976 -61.023 -10.4739 -7.69712 34.8976 -7.6971 18.4393 GPRESSAVG: 4567200 14.432 -58.3803 33.7411 -61.1765 -11.0794 -5.74266 33.6142 -10.5731 19.2316 TIMING: 4567200 CPU: 14264, 0.00311285/step Wall: 14264, 0.00311285/step, 0.374234 hours remaining, 236.335938 MB of memory in use. ENERGY: 4567200 3913.4582 20502.5978 14434.1305 255.0162 -203558.9219 2803.1569 0.0000 0.0000 51641.8499 -110008.7124 296.7864 -161650.5623 -109657.3435 297.6648 6.0016 35.3291 762704.8899 7.5461 7.5281 PRESSURE: 4567400 16.7001 37.421 -139.544 37.4207 159.524 -2.20615 -139.544 -2.20643 376.771 GPRESSURE: 4567400 19.3021 -47.5367 -27.9311 24.2831 200.486 25.9707 -30.1313 44.4759 411.697 PRESSAVG: 4567400 -18.0407 11.1134 32.3253 11.1133 30.6275 43.572 32.3254 43.5719 -22.1295 GPRESSAVG: 4567400 -18.5321 9.57521 30.0343 10.8147 30.9926 44.9423 35.3259 43.2657 -22.1303 TIMING: 4567400 CPU: 14264.6, 0.00311649/step Wall: 14264.6, 0.00311649/step, 0.374499 hours remaining, 236.335938 MB of memory in use. ENERGY: 4567400 3967.8638 20547.5177 14366.7246 228.8761 -203922.1751 2970.5683 0.0000 0.0000 51767.9039 -110072.7207 297.5109 -161840.6246 -109710.7790 297.7714 184.3316 210.4950 761544.7308 -3.1809 -3.2232 PRESSURE: 4567600 -24.1947 160.123 46.0647 160.124 -39.6772 109.041 46.0649 109.041 233.221 GPRESSURE: 4567600 112.198 220.542 86.4609 70.0073 -71.959 69.1115 13.1784 26.9329 202.37 PRESSAVG: 4567600 -17.0313 27.7725 50.0258 27.7725 -9.25511 41.8171 50.0258 41.817 -17.2632 GPRESSAVG: 4567600 -17.1705 28.005 52.092 27.1994 -9.26603 41.5946 49.2449 43.0191 -16.9708 TIMING: 4567600 CPU: 14265.3, 0.00311147/step Wall: 14265.3, 0.00311147/step, 0.373722 hours remaining, 236.335938 MB of memory in use. ENERGY: 4567600 3998.4171 20560.9513 14347.1799 245.5642 -203739.4399 2847.7967 0.0000 0.0000 51584.0936 -110155.4372 296.4545 -161739.5307 -109798.0695 297.5219 56.4495 80.8698 762934.0451 -14.5165 -14.4691 PRESSURE: 4567800 -132.434 -31.8183 28.8297 -31.8184 130.501 73.6194 28.8291 73.6197 123.546 GPRESSURE: 4567800 -155.261 -56.2972 -36.6285 -40.126 205.102 21.9384 6.82491 28.5357 145.976 PRESSAVG: 4567800 -38.2855 40.5482 7.26878 40.5481 44.8268 7.663 7.26875 7.66298 -1.69809 GPRESSAVG: 4567800 -37.8631 39.6544 7.92193 42.4438 46.1494 7.79971 8.52238 6.10262 -3.63852 TIMING: 4567800 CPU: 14265.9, 0.0031085/step Wall: 14265.9, 0.0031085/step, 0.373193 hours remaining, 236.335938 MB of memory in use. ENERGY: 4567800 3866.9514 20472.4594 14345.9025 254.0298 -204149.8830 3149.8745 0.0000 0.0000 51988.4942 -110072.1711 298.7786 -162060.6654 -109709.1627 297.4597 40.5378 65.2723 762696.5539 1.6144 1.5493 PRESSURE: 4568000 479.658 -187.664 38.9792 -187.665 60.8808 -100.949 38.979 -100.948 27.3283 GPRESSURE: 4568000 466.794 -154.667 136.706 -67.2943 112.714 -39.9436 81.0288 74.0103 92.4709 PRESSAVG: 4568000 -23.5945 -9.82256 29.9842 -9.82253 -19.2208 55.277 29.9841 55.2769 -1.91037 GPRESSAVG: 4568000 -23.9744 -9.43361 28.153 -10.2726 -20.3227 55.337 30.361 54.7841 -0.296476 TIMING: 4568000 CPU: 14266.5, 0.00310073/step Wall: 14266.5, 0.00310073/step, 0.372088 hours remaining, 236.335938 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: 4568000 4055.0105 20234.2589 14364.9614 243.4967 -203556.1588 2814.8211 0.0000 0.0000 51817.0166 -110026.5936 297.7931 -161843.6102 -109666.2483 297.5704 189.2890 223.9930 760915.5307 -14.9086 -14.8645 PRESSURE: 4568200 75.3012 -245.944 -67.734 -245.945 74.6816 -76.476 -67.7344 -76.4762 369.715 GPRESSURE: 4568200 131.851 -176.348 -47.3999 -204.718 102.626 -65.1382 -21.1257 21.4138 388.193 PRESSAVG: 4568200 -0.720334 -5.97028 77.2845 -5.9703 27.8176 14.119 77.2846 14.1191 -33.6614 GPRESSAVG: 4568200 0.493907 -5.07792 77.9509 -8.02235 29.0854 13.4024 75.5477 15.0442 -35.8123 TIMING: 4568200 CPU: 14267.1, 0.00311402/step Wall: 14267.1, 0.00311402/step, 0.373509 hours remaining, 236.335938 MB of memory in use. ENERGY: 4568200 3948.7162 20322.7057 14387.7337 251.5126 -203836.0176 3027.6947 0.0000 0.0000 51831.2614 -110066.3933 297.8750 -161897.6548 -109718.6498 297.3665 173.2327 207.5566 760842.1063 -2.1881 -2.0776 LDB: ============= START OF LOAD BALANCING ============== 14279.6 LDB: ============== END OF LOAD BALANCING =============== 14279.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14279.6 LDB: ============= START OF LOAD BALANCING ============== 14279.9 LDB: Largest compute 7027 load 0.033149 is 17.0% of average load 0.195325 LDB: Average compute 0.004421 is 2.3% of average load 0.195325 LDB: TIME 14279.9 LOAD: AVG 0.195325 MAX 0.216163 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.27 MB LDB: TIME 14279.9 LOAD: AVG 0.195325 MAX 0.216163 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.27 MB LDB: TIME 14279.9 LOAD: AVG 0.195325 MAX 0.216163 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.27 MB LDB: ============== END OF LOAD BALANCING =============== 14279.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14279.9 PRESSURE: 4568400 467.872 74.4519 -369.852 74.4519 176.068 185.051 -369.852 185.052 75.9355 GPRESSURE: 4568400 485.953 114.389 -344.114 99.4805 233.178 262.703 -287.979 63.7393 98.5326 PRESSAVG: 4568400 -5.11682 -30.8465 11.2546 -30.8465 20.0705 33.2547 11.2545 33.2547 -9.33005 GPRESSAVG: 4568400 -5.03139 -31.3531 10.1608 -30.6255 18.4025 33.1627 13.3821 33.045 -7.90343 TIMING: 4568400 CPU: 14267.8, 0.00317128/step Wall: 14267.8, 0.00317128/step, 0.380201 hours remaining, 234.636719 MB of memory in use. ENERGY: 4568400 3926.4442 20360.0232 14384.2155 228.9594 -203571.2391 2757.8094 0.0000 0.0000 51724.3999 -110189.3875 297.2608 -161913.7874 -109824.5725 297.4903 239.9584 272.5543 760816.1919 1.8745 1.8226 PRESSURE: 4568600 -287.077 39.9346 57.1105 39.9348 -135.424 -87.9574 57.1101 -87.9568 -229.975 GPRESSURE: 4568600 -283.045 37.571 119.828 -71.3289 -100.757 -112.342 -75.6259 -128.658 -212.523 PRESSAVG: 4568600 24.1346 -9.22794 5.41528 -9.22794 -37.4265 0.811598 5.41522 0.811553 -8.67307 GPRESSAVG: 4568600 22.7787 -8.11888 5.21456 -9.53895 -36.6575 -0.143131 3.6505 0.425541 -8.41163 TIMING: 4568600 CPU: 14268.4, 0.00311686/step Wall: 14268.4, 0.00311686/step, 0.373503 hours remaining, 234.792969 MB of memory in use. ENERGY: 4568600 3961.7040 20383.8200 14394.6812 246.0069 -203639.8843 2753.7746 0.0000 0.0000 51884.4128 -110015.4849 298.1804 -161899.8976 -109662.6175 297.9302 -217.4920 -198.7752 761109.9321 -7.3216 -7.4301 PRESSURE: 4568800 86.1315 43.724 218.639 43.7239 -187.561 52.7278 218.639 52.7281 -468.022 GPRESSURE: 4568800 59.1476 96.7945 141.953 -22.6828 -85.7848 75.5471 326.646 32.8286 -473.109 PRESSAVG: 4568800 -11.0781 -1.24053 68.3279 -1.24048 36.7772 29.8025 68.3279 29.8026 8.5805 GPRESSAVG: 4568800 -10.0607 -1.41074 69.7083 -2.11458 35.995 29.7567 67.1659 30.4448 8.11844 TIMING: 4568800 CPU: 14269, 0.00312007/step Wall: 14269, 0.00312007/step, 0.373715 hours remaining, 234.792969 MB of memory in use. ENERGY: 4568800 4105.2047 20401.5859 14313.6742 233.7774 -202888.5462 2370.5962 0.0000 0.0000 51421.2678 -110042.4401 295.5187 -161463.7079 -109690.0807 297.4130 -189.8170 -166.5819 762094.6197 11.4265 11.3509 PRESSURE: 4569000 -52.9196 -270.564 -104.231 -270.564 26.9116 137.16 -104.231 137.16 160.011 GPRESSURE: 4569000 33.379 -234.94 -23.5412 -157.668 116.002 138.36 -109.894 55.4933 82.1446 PRESSAVG: 4569000 -19.2734 -37.6508 59.0851 -37.6509 -10.1327 10.2168 59.0851 10.2168 -12.3274 GPRESSAVG: 4569000 -18.8422 -37.2989 57.6545 -34.3169 -9.79617 9.77243 61.241 9.89359 -13.3033 TIMING: 4569000 CPU: 14269.6, 0.00309177/step Wall: 14269.6, 0.00309177/step, 0.370154 hours remaining, 234.792969 MB of memory in use. ENERGY: 4569000 3894.8376 20495.7009 14417.1964 241.1625 -203402.9512 2716.0733 0.0000 0.0000 51793.4170 -109844.5635 297.6575 -161637.9804 -109484.1848 297.6124 44.6675 77.1753 761839.7000 -13.9112 -13.9806 PRESSURE: 4569200 -190.865 -47.6601 -41.7815 -47.6591 -511.091 -47.1047 -41.7803 -47.104 -3.13949 GPRESSURE: 4569200 -143.455 82.0048 -107.983 56.5404 -407.252 -11.0709 -17.9268 -13.2836 -38.5268 PRESSAVG: 4569200 13.0016 -10.5009 4.7261 -10.501 -21.0215 60.0339 4.72614 60.0339 -15.4803 GPRESSAVG: 4569200 12.2503 -10.2982 5.14903 -11.0506 -20.7531 61.6411 4.92353 59.1149 -14.7038 TIMING: 4569200 CPU: 14270.3, 0.00311447/step Wall: 14270.3, 0.00311447/step, 0.372698 hours remaining, 234.792969 MB of memory in use. ENERGY: 4569200 4007.1986 20358.0009 14486.3660 243.5530 -203106.6570 2434.9646 0.0000 0.0000 51733.5966 -109842.9772 297.3137 -161576.5739 -109478.4034 297.7701 -235.0318 -196.4115 762101.8301 -7.8334 -7.7355 PRESSURE: 4569400 -169.757 -158.724 134.294 -158.724 -127.139 -47.3012 134.294 -47.2996 170.14 GPRESSURE: 4569400 -113.283 -189.882 151.23 -126.51 -65.2377 -2.39381 89.2068 -80.2932 130.508 PRESSAVG: 4569400 17.2696 -30.2249 -9.86716 -30.2249 -14.9967 60.6204 -9.86723 60.6205 4.0596 GPRESSAVG: 4569400 16.8613 -31.0422 -9.76601 -30.4233 -14.9653 59.3955 -9.01977 62.9891 4.2172 TIMING: 4569400 CPU: 14270.9, 0.00312199/step Wall: 14270.9, 0.00312199/step, 0.373425 hours remaining, 234.792969 MB of memory in use. ENERGY: 4569400 3989.5968 20384.6459 14417.2659 242.8737 -202964.6331 2410.4810 0.0000 0.0000 51690.3011 -109829.4687 297.0649 -161519.7698 -109465.5218 297.7018 -42.2520 -16.0041 763226.8090 2.1108 2.0377 PRESSURE: 4569600 -236.882 232.139 -226.006 232.138 -83.7082 111.698 -226.006 111.698 -37.173 GPRESSURE: 4569600 -205.553 212.036 -198.357 148.272 -42.1477 82.2566 -144.506 91.1549 -46.5214 PRESSAVG: 4569600 13.5536 3.46219 12.6942 3.46211 5.30134 55.855 12.6942 55.855 -15.1502 GPRESSAVG: 4569600 13.003 2.98141 12.2388 1.81099 6.49344 56.1547 11.1725 52.3637 -15.2889 TIMING: 4569600 CPU: 14271.5, 0.00311249/step Wall: 14271.5, 0.00311249/step, 0.372115 hours remaining, 234.792969 MB of memory in use. ENERGY: 4569600 4030.5315 20476.2635 14329.4181 242.1067 -203307.4614 2641.3679 0.0000 0.0000 51699.6744 -109888.0993 297.1187 -161587.7737 -109536.3511 297.5463 -119.2545 -98.0740 761950.5193 1.2349 1.4025 PRESSURE: 4569800 -243.308 -138.045 -23.4781 -138.044 70.0744 284.71 -23.4777 284.71 265.132 GPRESSURE: 4569800 -167.467 -130.831 -91.9582 -56.885 99.5697 176.306 -2.88917 248.321 232.016 PRESSAVG: 4569800 -26.0602 3.73923 14.0095 3.73926 1.38034 44.4682 14.0096 44.4682 7.01052 GPRESSAVG: 4569800 -24.8055 4.86754 14.2029 6.25188 -0.132451 43.598 13.8735 47.5239 6.90033 TIMING: 4569800 CPU: 14272.1, 0.00310686/step Wall: 14272.1, 0.00310686/step, 0.37127 hours remaining, 234.792969 MB of memory in use. ENERGY: 4569800 4001.9792 20531.3255 14437.3272 242.0126 -203355.1454 2644.3662 0.0000 0.0000 51590.2252 -109907.9095 296.4897 -161498.1347 -109558.5170 298.1779 30.6327 54.7062 761292.1336 -5.8898 -6.0125 PRESSURE: 4570000 343.814 -12.9932 203.012 -12.9923 104.363 11.8647 203.013 11.865 259.25 GPRESSURE: 4570000 377.685 19.6923 108.994 -131.014 150.855 -21.0161 150.542 109.231 261.407 PRESSAVG: 4570000 31.6593 -32.7365 2.08392 -32.7364 33.1139 4.58841 2.08394 4.58821 3.8216 GPRESSAVG: 4570000 33.2006 -34.9246 1.86479 -32.9824 32.6671 6.39559 1.82121 2.19626 2.91727 TIMING: 4570000 CPU: 14272.7, 0.00312311/step Wall: 14272.7, 0.00312311/step, 0.373038 hours remaining, 234.792969 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: 4570000 3974.7390 20419.7646 14370.1627 248.9167 -203846.4584 2984.3509 0.0000 0.0000 52244.2746 -109604.2501 300.2486 -161848.5247 -109238.6690 298.3502 235.8089 263.3159 760446.4034 22.8650 22.9283 PRESSURE: 4570200 271.857 -32.6544 77.5606 -32.6537 -18.1173 100.404 77.5599 100.404 356.704 GPRESSURE: 4570200 214.25 -139.629 91.553 -1.13886 9.02444 121.727 -12.7495 53.5071 472.92 PRESSAVG: 4570200 20.8946 18.9227 29.4937 18.9228 -25.8011 11.4517 29.4936 11.4517 7.40569 GPRESSAVG: 4570200 21.7395 19.2787 28.6131 19.227 -26.3495 10.3268 29.0361 12.0709 7.02504 TIMING: 4570200 CPU: 14273.4, 0.003124/step Wall: 14273.4, 0.003124/step, 0.372971 hours remaining, 234.792969 MB of memory in use. ENERGY: 4570200 3940.1642 20785.1869 14385.7483 256.7514 -203346.6081 2516.9636 0.0000 0.0000 51966.0250 -109495.7689 298.6495 -161461.7939 -109146.8822 298.8702 203.4811 232.0647 762272.8187 0.8331 0.8050 PRESSURE: 4570400 -65.903 -86.7136 -264.346 -86.7146 -236.884 167.833 -264.347 167.834 -82.0107 GPRESSURE: 4570400 -56.0792 -146.95 -211.072 -107.335 -152.395 135.246 -166.528 168.736 -109.149 PRESSAVG: 4570400 -3.46394 -1.11598 9.32763 -1.11596 11.2046 9.10554 9.32762 9.10557 20.7336 GPRESSAVG: 4570400 -4.59135 0.153585 9.32148 -3.58887 11.7751 8.68623 10.9898 8.59678 20.7462 TIMING: 4570400 CPU: 14274, 0.00313148/step Wall: 14274, 0.00313148/step, 0.37369 hours remaining, 234.792969 MB of memory in use. ENERGY: 4570400 4033.6547 20655.9999 14321.4559 272.0954 -203164.7304 2350.2869 0.0000 0.0000 51984.7768 -109546.4608 298.7572 -161531.2376 -109184.6260 299.3105 -128.2659 -105.8746 760298.6471 9.4914 9.3100 PRESSURE: 4570600 43.4486 -94.1455 107.163 -94.1448 -61.3113 176.39 107.163 176.389 262.295 GPRESSURE: 4570600 -45.6683 -127.742 121.096 -138.373 115.491 74.5037 7.25311 215.767 270.145 PRESSAVG: 4570600 -15.5295 -14.1797 -16.9862 -14.1797 8.1392 -8.26032 -16.9862 -8.26029 13.9027 GPRESSAVG: 4570600 -15.9413 -12.1553 -15.3699 -11.3043 8.55608 -8.98652 -18.6795 -7.58652 14.2037 TIMING: 4570600 CPU: 14274.6, 0.00311948/step Wall: 14274.6, 0.00311948/step, 0.372084 hours remaining, 234.792969 MB of memory in use. ENERGY: 4570600 3934.8843 20501.5163 14384.3836 235.0570 -203188.5836 2677.4050 0.0000 0.0000 51799.7282 -109655.6091 297.6937 -161455.3373 -109293.8115 298.9082 81.4774 113.3224 760622.6299 2.1708 2.2728 PRESSURE: 4570800 -4.53661 -110.266 -182.698 -110.266 -361.814 51.0097 -182.699 51.0098 -192.783 GPRESSURE: 4570800 2.82632 -77.6367 -139.726 -48.9664 -276.365 70.8084 -232.671 -14.3391 -168.611 PRESSAVG: 4570800 28.2877 -30.8318 -55.9252 -30.8319 -1.97896 10.7754 -55.9252 10.7754 4.12546 GPRESSAVG: 4570800 28.5657 -32.5662 -56.8876 -33.8499 -1.55068 10.2948 -55.5751 10.2937 3.50358 TIMING: 4570800 CPU: 14275.2, 0.00312355/step Wall: 14275.2, 0.00312355/step, 0.372397 hours remaining, 234.792969 MB of memory in use. ENERGY: 4570800 4025.8417 20371.6216 14414.4911 238.3463 -203696.9781 2947.0494 0.0000 0.0000 52044.6645 -109654.9635 299.1014 -161699.6280 -109288.3928 298.7968 -186.3778 -147.3831 760682.5826 10.1447 10.1729 PRESSURE: 4571000 -133.816 -61.608 160.191 -61.6079 7.06275 -38.1871 160.191 -38.1872 -6.01659 GPRESSURE: 4571000 -47.3812 -50.3563 135.29 -77.9608 -27.7167 -75.3158 247.06 -95.9131 16.4874 PRESSAVG: 4571000 39.2395 -7.51561 48.6904 -7.51561 -38.5243 11.9827 48.6904 11.9828 -8.98457 GPRESSAVG: 4571000 39.7839 -6.70149 50.2902 -7.80133 -39.3155 13.4824 50.3622 12.9311 -8.06125 TIMING: 4571000 CPU: 14275.9, 0.0031031/step Wall: 14275.9, 0.0031031/step, 0.369786 hours remaining, 234.792969 MB of memory in use. ENERGY: 4571000 3988.4766 20413.1060 14428.0213 254.7187 -203252.6376 2635.8144 0.0000 0.0000 52073.5425 -109458.9581 299.2674 -161532.5006 -109096.5461 299.1275 -44.2567 -19.5368 760672.3931 -2.7565 -2.5309 PRESSURE: 4571200 90.3536 84.6622 -22.3365 84.6624 -140.173 267.968 -22.3374 267.969 -202.356 GPRESSURE: 4571200 170.287 126.918 10.1088 78.7206 -80.7024 245.168 43.4967 259.615 -249.467 PRESSAVG: 4571200 29.323 24.9723 31.0307 24.9724 -0.586898 -12.075 31.0308 -12.0749 -1.76781 GPRESSAVG: 4571200 30.4359 23.612 29.8333 26.9296 -0.945918 -11.1513 31.3454 -11.3557 -2.80538 TIMING: 4571200 CPU: 14276.5, 0.00311874/step Wall: 14276.5, 0.00311874/step, 0.371477 hours remaining, 234.792969 MB of memory in use. ENERGY: 4571200 3916.0525 20389.1527 14469.6306 248.9421 -203176.0281 2581.1717 0.0000 0.0000 52017.6352 -109553.4433 298.9461 -161571.0785 -109190.0133 298.8427 -84.0587 -53.2940 762163.6094 8.9894 8.8949 PRESSURE: 4571400 -404.511 20.2503 -166.101 20.2504 -87.6842 54.0781 -166.1 54.0774 53.2421 GPRESSURE: 4571400 -410.956 18.2008 -113.587 -64.8088 -65.4511 12.1552 -293.623 76.2163 89.9349 PRESSAVG: 4571400 50.1275 77.4539 -5.7327 77.4539 -32.8255 -11.1973 -5.73272 -11.1973 -12.3097 GPRESSAVG: 4571400 47.8296 77.4838 -5.30454 78.6069 -33.329 -13.2289 -6.59389 -12.039 -10.5962 TIMING: 4571400 CPU: 14277.1, 0.0031084/step Wall: 14277.1, 0.0031084/step, 0.370073 hours remaining, 234.792969 MB of memory in use. ENERGY: 4571400 4106.7726 20565.8185 14400.7547 245.8073 -203206.8156 2471.2793 0.0000 0.0000 52070.5305 -109345.8527 299.2501 -161416.3832 -108987.1483 298.6796 -146.3177 -128.8241 762243.1764 1.6641 1.3014 PRESSURE: 4571600 -325.302 74.023 108.536 74.0232 31.2926 43.1258 108.537 43.1252 -75.3201 GPRESSURE: 4571600 -287.327 53.9136 60.3409 34.9138 92.734 4.06901 121.762 -7.92363 -85.4558 PRESSAVG: 4571600 -16.8476 75.3157 16.3751 75.3158 -6.01402 -50.1207 16.3752 -50.1207 -23.0923 GPRESSAVG: 4571600 -15.9945 74.0503 15.4801 74.6267 -6.09203 -50.7097 18.8249 -49.8005 -24.0691 TIMING: 4571600 CPU: 14277.7, 0.00311906/step Wall: 14277.7, 0.00311907/step, 0.371169 hours remaining, 234.792969 MB of memory in use. ENERGY: 4571600 3979.8733 20511.9180 14488.8710 223.3364 -203218.8129 2525.3585 0.0000 0.0000 51988.1857 -109501.2700 298.7768 -161489.4557 -109143.9938 298.9318 -123.1098 -93.3495 761847.6454 -15.3180 -15.3852 PRESSURE: 4571800 -138.692 -45.0267 -125.369 -45.0251 29.1188 73.7179 -125.37 73.7183 33.0153 GPRESSURE: 4571800 -43.0662 91.3165 -98.6117 36.8657 54.6626 112.875 -132.308 73.8202 17.8993 PRESSAVG: 4571800 -44.1513 9.20185 -43.0166 9.20184 76.4238 -67.0191 -43.0165 -67.0192 18.0958 GPRESSAVG: 4571800 -44.0194 12.7154 -41.9443 8.04572 76.5373 -65.5897 -45.329 -67.1852 18.4966 TIMING: 4571800 CPU: 14278.4, 0.00310591/step Wall: 14278.4, 0.00310591/step, 0.369431 hours remaining, 234.792969 MB of memory in use. ENERGY: 4571800 4026.1702 20536.3930 14402.8415 244.4548 -203406.5511 2422.3386 0.0000 0.0000 52061.8165 -109712.5366 299.2000 -161774.3531 -109347.6686 299.1539 -25.5192 9.8319 759689.9900 16.7894 17.0048 PRESSURE: 4572000 94.1259 -0.809653 -90.305 -0.810053 348.834 205.054 -90.3055 205.055 151.612 GPRESSURE: 4572000 154.69 86.3838 -46.7815 -45.9205 343.094 123.355 29.8309 140.491 177.956 PRESSAVG: 4572000 -0.412936 -24.8499 9.41788 -24.8499 4.22241 0.328065 9.41784 0.328098 17.6248 GPRESSAVG: 4572000 0.978206 -26.6608 8.80601 -26.3206 3.6796 -1.14999 10.4771 0.278741 16.7086 TIMING: 4572000 CPU: 14279, 0.00312339/step Wall: 14279, 0.00312339/step, 0.371337 hours remaining, 234.792969 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: 4572000 3986.8633 20543.4285 14391.3094 253.6376 -203925.1678 2926.2476 0.0000 0.0000 51929.3517 -109894.3296 298.4387 -161823.6813 -109537.8835 298.7041 198.1907 225.2464 758929.9483 7.1448 7.1221 PRESSURE: 4572200 262.844 86.5366 -3.25054 86.5359 -203.453 11.7888 -3.25042 11.7893 -27.6908 GPRESSURE: 4572200 209.338 35.3688 80.9938 202.364 -125.859 132.301 1.64534 15.5766 26.1061 PRESSAVG: 4572200 37.1268 -7.52495 79.5461 -7.5249 -13.5629 -5.62452 79.5461 -5.62451 4.38067 GPRESSAVG: 4572200 35.2475 -9.98311 79.9661 -4.42649 -13.5087 -5.61553 79.4241 -6.57451 5.46475 TIMING: 4572200 CPU: 14279.6, 0.00312339/step Wall: 14279.6, 0.00312339/step, 0.371163 hours remaining, 234.792969 MB of memory in use. ENERGY: 4572200 4026.3513 20616.0281 14364.6656 218.5098 -203626.9424 2685.0878 0.0000 0.0000 51891.8431 -109824.4567 298.2231 -161716.2997 -109476.9880 298.6977 10.5666 36.5284 760941.4299 9.3149 9.0679 LDB: ============= START OF LOAD BALANCING ============== 14292.1 LDB: ============== END OF LOAD BALANCING =============== 14292.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14292.1 LDB: ============= START OF LOAD BALANCING ============== 14292.4 LDB: Largest compute 7031 load 0.031064 is 15.9% of average load 0.195296 LDB: Average compute 0.004407 is 2.3% of average load 0.195296 LDB: TIME 14292.4 LOAD: AVG 0.195296 MAX 0.217871 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.359 MB LDB: TIME 14292.4 LOAD: AVG 0.195296 MAX 0.217871 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.359 MB LDB: TIME 14292.4 LOAD: AVG 0.195296 MAX 0.217871 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.359 MB LDB: ============== END OF LOAD BALANCING =============== 14292.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14292.4 PRESSURE: 4572400 -162.193 -31.3405 -147.94 -31.3396 -133.648 304.629 -147.94 304.629 -7.43909 GPRESSURE: 4572400 -70.4723 -67.279 -218.494 -33.1313 -141.828 281.411 -130.068 231.795 17.1256 PRESSAVG: 4572400 34.6619 10.9537 18.0052 10.9537 -16.1961 11.5774 18.0052 11.5773 -3.93231 GPRESSAVG: 4572400 35.675 11.3039 18.9101 11.972 -16.7823 12.6363 17.0529 13.4018 -4.15204 TIMING: 4572400 CPU: 14280.2, 0.00319638/step Wall: 14280.2, 0.00319638/step, 0.379659 hours remaining, 235.601562 MB of memory in use. ENERGY: 4572400 4028.2697 20552.6895 14416.9088 238.4838 -203792.7067 2740.4535 0.0000 0.0000 52063.6830 -109752.2185 299.2107 -161815.9015 -109395.1846 298.6849 -101.0933 -65.0582 760573.5255 4.8445 4.9135 PRESSURE: 4572600 -146.973 118.206 36.6339 118.205 -109.35 -122.071 36.6336 -122.07 -34.7797 GPRESSURE: 4572600 -136.954 34.9426 18.2782 196.579 -61.8237 -99.8996 26.4649 -131.717 -0.486532 PRESSAVG: 4572600 41.0362 54.8958 6.45767 54.8959 -38.1498 -37.2932 6.45771 -37.2933 21.9913 GPRESSAVG: 4572600 40.757 56.5255 5.45101 51.988 -37.9386 -37.7214 4.58168 -39.6914 22.0112 TIMING: 4572600 CPU: 14280.9, 0.00309865/step Wall: 14280.9, 0.00309865/step, 0.367878 hours remaining, 236.132812 MB of memory in use. ENERGY: 4572600 3977.2502 20560.2077 14428.4777 244.7914 -203068.9078 2563.0349 0.0000 0.0000 51740.9420 -109554.2039 297.3559 -161295.1459 -109197.7493 299.0010 -97.0340 -66.4215 761402.5630 8.2926 8.2766 PRESSURE: 4572800 -216.992 121.01 -35.9509 121.011 105.627 0.85796 -35.9499 0.857195 31.175 GPRESSURE: 4572800 -267.629 171.418 -9.43609 185.932 137.582 -84.8005 -165.18 -19.7266 122.128 PRESSAVG: 4572800 -21.2976 1.06915 33.7871 1.06915 47.0461 33.3368 33.7871 33.3368 3.83436 GPRESSAVG: 4572800 -21.3685 1.06185 34.1875 4.76586 47.9012 33.0528 35.4045 34.5985 2.73544 TIMING: 4572800 CPU: 14281.5, 0.00310264/step Wall: 14281.5, 0.00310264/step, 0.368179 hours remaining, 236.132812 MB of memory in use. ENERGY: 4572800 4002.9665 20648.9350 14424.4553 252.6430 -203534.6846 2706.2763 0.0000 0.0000 52013.6540 -109485.7545 298.9232 -161499.4084 -109119.1067 299.2142 -26.7300 -2.6399 762448.3750 9.8609 9.7560 PRESSURE: 4573000 -246.982 -115.671 -153.321 -115.671 -24.8614 73.738 -153.322 73.7379 -76.3836 GPRESSURE: 4573000 -180.72 1.56024 -180.933 -126.094 -55.866 38.6495 -120.388 193.919 -8.35883 PRESSAVG: 4573000 -24.6352 30.2281 -16.8737 30.2281 -1.34282 17.1757 -16.8736 17.1757 -47.7697 GPRESSAVG: 4573000 -25.5454 29.7363 -17.3731 28.5706 -1.75792 18.4546 -14.1604 17.5592 -46.2338 TIMING: 4573000 CPU: 14282.1, 0.00310073/step Wall: 14282.1, 0.00310073/step, 0.367781 hours remaining, 236.132812 MB of memory in use. ENERGY: 4573000 3974.0705 20718.4178 14390.8794 260.4917 -202982.1835 2347.4867 0.0000 0.0000 52076.6572 -109214.1801 299.2853 -161290.8374 -108850.8166 299.3215 -116.0755 -81.6481 761479.6219 -24.5826 -24.5124 PRESSURE: 4573200 -114.018 67.1383 -131.23 67.1393 -88.7179 213.498 -131.23 213.497 -129.638 GPRESSURE: 4573200 -45.297 -70.0431 -100.099 74.5875 -73.6838 202.124 -51.2217 158.047 -117.966 PRESSAVG: 4573200 -18.9394 32.9787 -11.8432 32.9787 -29.2182 16.07 -11.8433 16.0699 39.4429 GPRESSAVG: 4573200 -18.1451 33.2124 -11.2405 32.2256 -29.8706 14.2218 -12.8652 14.2524 38.4102 TIMING: 4573200 CPU: 14282.7, 0.00310239/step Wall: 14282.7, 0.00310239/step, 0.367805 hours remaining, 236.132812 MB of memory in use. ENERGY: 4573200 3966.3019 20781.4775 14365.4331 239.4380 -203301.2510 2533.0282 0.0000 0.0000 52240.3303 -109175.2419 300.2259 -161415.5722 -108813.2055 299.5285 -110.7915 -78.9821 760909.5578 -2.9049 -3.2019 PRESSURE: 4573400 128.6 -30.2563 133.257 -30.2558 71.9868 75.9234 133.257 75.9225 354.558 GPRESSURE: 4573400 209.436 -126.098 156.333 14.6922 91.1349 10.7871 101.53 79.6072 361.867 PRESSAVG: 4573400 -43.0357 -46.6954 43.3133 -46.6953 11.441 19.0117 43.3134 19.0116 -2.00547 GPRESSAVG: 4573400 -42.8178 -46.1303 43.2756 -46.089 12.7836 21.0349 41.5837 18.9481 -3.01599 TIMING: 4573400 CPU: 14283.3, 0.00311879/step Wall: 14283.3, 0.00311879/step, 0.369577 hours remaining, 236.269531 MB of memory in use. ENERGY: 4573400 3917.4194 20658.0793 14405.4845 265.6711 -203382.7320 2754.0174 0.0000 0.0000 52094.5131 -109287.5472 299.3879 -161382.0604 -108917.3201 299.9754 185.0480 220.8124 761017.5241 -11.2001 -11.0167 PRESSURE: 4573600 -36.2691 -127.769 90.194 -127.768 292.358 -81.4199 90.1945 -81.4197 140.181 GPRESSURE: 4573600 66.662 -159.775 183.396 -210.309 239.68 -72.4716 191.86 -82.0085 181.018 PRESSAVG: 4573600 -26.1269 8.19153 -21.7642 8.1915 74.3331 33.0795 -21.7642 33.0796 -1.68472 GPRESSAVG: 4573600 -24.7372 7.59124 -21.3256 8.18351 72.7674 31.6929 -19.9957 35.7561 -1.66393 TIMING: 4573600 CPU: 14284, 0.00312557/step Wall: 14284, 0.00312557/step, 0.370207 hours remaining, 236.269531 MB of memory in use. ENERGY: 4573600 3945.2146 20649.5962 14388.9288 247.9977 -203455.6996 2808.0063 0.0000 0.0000 52019.4756 -109396.4803 298.9566 -161415.9560 -109039.1732 299.1682 132.0898 162.4533 763110.2671 15.5072 15.4554 PRESSURE: 4573800 245.02 162.106 19.4584 162.106 185.608 70.2019 19.4583 70.2023 249.95 GPRESSURE: 4573800 223.139 184.905 -6.08732 149.914 231.207 89.5799 -4.34825 -14.6208 311.596 PRESSAVG: 4573800 9.13578 34.1552 12.815 34.1552 7.91873 55.651 12.815 55.651 -5.20223 GPRESSAVG: 4573800 7.92397 33.5869 12.4836 32.6592 8.26204 55.6949 11.7113 51.0951 -4.82217 TIMING: 4573800 CPU: 14284.6, 0.00311457/step Wall: 14284.6, 0.00311457/step, 0.368731 hours remaining, 236.269531 MB of memory in use. ENERGY: 4573800 4017.7605 20482.8563 14479.6861 238.3246 -203562.4260 3018.3915 0.0000 0.0000 51751.5918 -109573.8152 297.4171 -161325.4069 -109220.8073 299.0968 226.8594 255.3141 761232.6201 3.9508 3.7879 PRESSURE: 4574000 -393.895 10.4127 -230.787 10.4134 25.4065 107.898 -230.787 107.898 66.3244 GPRESSURE: 4574000 -377.202 48.4827 -182.638 57.2706 48.4669 17.392 -201.515 -70.1035 122.035 PRESSAVG: 4574000 -76.5821 -12.5743 10.9696 -12.5743 44.673 -32.3447 10.9696 -32.3446 -4.22336 GPRESSAVG: 4574000 -76.6843 -10.0755 11.3933 -13.5583 44.5359 -31.4932 10.1389 -27.9539 -3.60253 TIMING: 4574000 CPU: 14285.2, 0.00310892/step Wall: 14285.2, 0.00310892/step, 0.367889 hours remaining, 236.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4574000 3964.4122 20545.3973 14457.3658 244.8295 -203486.6553 2712.8101 0.0000 0.0000 52114.2233 -109447.6171 299.5012 -161561.8404 -109086.7895 298.6361 -100.7214 -68.9000 761574.0354 -12.0441 -11.9170 PRESSURE: 4574200 -403.959 -70.848 -49.8125 -70.8479 -155.486 37.0602 -49.8126 37.0594 -12.372 GPRESSURE: 4574200 -337.679 -178.032 -61.2696 -80.3656 -141.188 31.9712 -49.2857 54.0854 -12.7857 PRESSAVG: 4574200 14.9668 -8.88428 -49.7779 -8.88431 67.6295 -4.77598 -49.7779 -4.77602 11.7132 GPRESSAVG: 4574200 13.7531 -10.6676 -51.2679 -8.66233 68.8142 -6.49662 -49.2807 -3.81571 11.078 TIMING: 4574200 CPU: 14285.8, 0.0031228/step Wall: 14285.8, 0.0031228/step, 0.369358 hours remaining, 236.269531 MB of memory in use. ENERGY: 4574200 3996.6865 20476.3478 14416.1357 250.2754 -203730.3952 2659.9826 0.0000 0.0000 52324.4519 -109606.5152 300.7093 -161930.9671 -109247.0006 299.2235 -190.6057 -163.8841 761930.1365 31.4365 31.2151 PRESSURE: 4574400 -43.9059 112.174 126.05 112.174 31.8568 65.3569 126.049 65.3573 417.673 GPRESSURE: 4574400 -40.4576 98.7271 95.3566 194.734 86.652 140.298 -17.9552 75.7055 427.42 PRESSAVG: 4574400 -59.241 21.0419 -5.79636 21.042 38.0897 6.96751 -5.79641 6.96765 6.20037 GPRESSAVG: 4574400 -59.1388 20.0577 -5.13513 23.7566 37.7268 9.42377 -6.53013 4.65789 6.21112 TIMING: 4574400 CPU: 14286.5, 0.00313659/step Wall: 14286.5, 0.00313659/step, 0.370815 hours remaining, 236.472656 MB of memory in use. ENERGY: 4574400 3910.5535 20607.7382 14402.5053 243.7201 -203664.5519 2759.8309 0.0000 0.0000 52211.8590 -109528.3449 300.0623 -161740.2039 -109163.7686 299.2134 135.2080 157.8715 762616.7830 -4.9837 -5.0670 PRESSURE: 4574600 169.198 127.963 249.168 127.963 78.6341 -335.676 249.169 -335.676 -32.2695 GPRESSURE: 4574600 298.712 89.06 259.191 131.182 98.1399 -319.435 131.931 -373.958 -103.71 PRESSAVG: 4574600 -3.11393 7.10237 39.492 7.10227 -23.5184 -33.7895 39.492 -33.7894 16.6864 GPRESSAVG: 4574600 -2.8945 7.7413 38.8023 4.6388 -23.0782 -35.5594 38.9379 -31.4623 15.6656 TIMING: 4574600 CPU: 14287.1, 0.00311698/step Wall: 14287.1, 0.00311698/step, 0.368323 hours remaining, 236.472656 MB of memory in use. ENERGY: 4574600 3993.5197 20596.4747 14483.4448 263.4614 -203437.0269 2816.3777 0.0000 0.0000 51719.8449 -109563.9038 297.2347 -161283.7487 -109205.7458 299.1409 71.8543 97.7140 763189.0042 -3.3153 -3.4357 PRESSURE: 4574800 228.733 50.2862 -68.5424 50.2858 -32.2027 212.339 -68.5425 212.34 123.7 GPRESSURE: 4574800 220.135 53.2319 -92.9993 -48.2645 55.5112 133.725 4.77209 234.806 98.169 PRESSAVG: 4574800 61.4303 15.7422 18.1327 15.7421 -17.5596 -27.1956 18.1328 -27.1956 8.72151 GPRESSAVG: 4574800 63.0428 14.1522 19.5607 18.1316 -18.7752 -26.1691 17.7561 -30.0093 8.37951 TIMING: 4574800 CPU: 14287.7, 0.00309945/step Wall: 14287.7, 0.00309945/step, 0.36608 hours remaining, 236.472656 MB of memory in use. ENERGY: 4574800 4019.2356 20627.6071 14374.5352 262.7145 -203769.4516 2965.6615 0.0000 0.0000 51818.3885 -109701.3093 297.8010 -161519.6977 -109350.9165 299.1138 106.7437 124.6050 762523.3691 17.5308 17.5490 PRESSURE: 4575000 114.116 62.2112 269.848 62.2116 175.167 21.2665 269.847 21.2663 -190.789 GPRESSURE: 4575000 72.795 -69.143 240.313 91.945 272.302 -34.2515 50.0754 -3.98839 -157.624 PRESSAVG: 4575000 -14.4076 19.0637 -26.4941 19.0637 8.17987 -35.9982 -26.4941 -35.9982 -18.6238 GPRESSAVG: 4575000 -16.6242 20.7971 -28.2502 19.0959 7.62368 -36.0706 -23.7365 -35.256 -16.2947 TIMING: 4575000 CPU: 14288.3, 0.00312341/step Wall: 14288.3, 0.00312341/step, 0.368736 hours remaining, 236.472656 MB of memory in use. ENERGY: 4575000 3978.5364 20432.3760 14429.6365 241.4653 -203968.9274 3212.8897 0.0000 0.0000 52121.3427 -109552.6809 299.5421 -161674.0236 -109185.6808 298.7472 32.8315 62.4910 762113.1989 -8.2839 -8.4317 PRESSURE: 4575200 -471.037 -137.026 -165.214 -137.026 170.883 80.1006 -165.214 80.0988 62.1722 GPRESSURE: 4575200 -330.017 -182.209 -126.967 -165.536 121.481 82.9604 11.9426 144.653 60.5859 PRESSAVG: 4575200 -15.2764 5.80053 16.6391 5.80057 12.8741 -5.98148 16.6391 -5.98154 2.44985 GPRESSAVG: 4575200 -14.8886 5.85393 16.9618 6.00582 13.4317 -6.48728 14.329 -5.44112 1.78424 TIMING: 4575200 CPU: 14289, 0.00311563/step Wall: 14289, 0.00311563/step, 0.367645 hours remaining, 236.472656 MB of memory in use. ENERGY: 4575200 4092.8345 20567.5682 14371.0468 240.4808 -203471.7447 2661.5898 0.0000 0.0000 52083.2604 -109454.9643 299.3232 -161538.2247 -109103.7324 299.3782 -79.3271 -49.3169 763270.7425 0.0159 0.1091 PRESSURE: 4575400 125.935 116.033 17.3287 116.033 216.431 -78.0721 17.329 -78.0709 364.002 GPRESSURE: 4575400 240.982 35.2981 -11.7691 124.153 252.348 -54.9377 -16.7329 -80.9173 300.283 PRESSAVG: 4575400 9.19851 -1.88567 -37.8723 -1.88562 22.0796 -11.4987 -37.8724 -11.4988 -24.3363 GPRESSAVG: 4575400 9.73228 -1.99084 -39.2453 -3.27229 22.1471 -12.4296 -36.2994 -10.966 -24.8932 TIMING: 4575400 CPU: 14289.6, 0.00312313/step Wall: 14289.6, 0.00312313/step, 0.368355 hours remaining, 236.472656 MB of memory in use. ENERGY: 4575400 3907.7276 20348.4142 14459.7115 250.6280 -203666.3061 2883.3882 0.0000 0.0000 52169.7630 -109646.6735 299.8203 -161816.4365 -109277.5426 298.7058 235.4557 264.5377 762001.2007 2.3139 2.3287 PRESSURE: 4575600 -148.249 -190.23 -201.998 -190.231 -224.126 -19.2287 -201.999 -19.2293 468.091 GPRESSURE: 4575600 -129.843 -191.082 -176.348 -188.782 -147.277 35.335 -137.944 -102.043 442.418 PRESSAVG: 4575600 -11.4778 -1.4322 4.47005 -1.4322 70.1162 -34.5621 4.47007 -34.562 14.4145 GPRESSAVG: 4575600 -12.0223 -1.77528 9.67122 -1.28043 70.1925 -33.1792 3.19699 -36.9177 15.2599 TIMING: 4575600 CPU: 14290.2, 0.00312062/step Wall: 14290.2, 0.00312062/step, 0.367887 hours remaining, 236.472656 MB of memory in use. ENERGY: 4575600 3959.9460 20501.2964 14444.3719 268.6426 -203017.5666 2553.3605 0.0000 0.0000 51807.9384 -109482.0108 297.7409 -161289.9491 -109130.3363 298.8948 31.9056 55.0995 762296.3268 24.3510 24.4767 PRESSURE: 4575800 -55.9573 -58.9324 64.017 -58.9323 -90.2749 -95.3214 64.0172 -95.3218 -56.9813 GPRESSURE: 4575800 -106.951 -162.818 97.0203 3.54334 -2.33809 -83.8037 -25.7675 -178.414 1.97845 PRESSAVG: 4575800 28.6804 -28.4857 17.064 -28.4857 -9.30168 -51.6026 17.064 -51.6027 -6.46095 GPRESSAVG: 4575800 28.5331 -27.03 12.6753 -29.3194 -8.90227 -50.8185 17.2263 -51.4853 -6.36976 TIMING: 4575800 CPU: 14290.8, 0.00311622/step Wall: 14290.8, 0.00311622/step, 0.367194 hours remaining, 236.472656 MB of memory in use. ENERGY: 4575800 4073.2364 20299.8981 14445.8873 238.6013 -203080.1818 2754.8425 0.0000 0.0000 51662.7462 -109604.9701 296.9065 -161267.7163 -109240.4036 298.0074 -67.7378 -35.7701 762191.1033 4.3059 4.4203 PRESSURE: 4576000 -37.8183 -152.014 290.955 -152.015 -21.1366 -15.9537 290.955 -15.9538 37.1883 GPRESSURE: 4576000 -8.7559 -152.863 343.641 -26.3084 5.42592 -13.3365 226.761 -5.86392 76.8844 PRESSAVG: 4576000 -48.7521 -6.57366 14.318 -6.57365 86.6022 -8.42961 14.3181 -8.42959 7.91125 GPRESSAVG: 4576000 -48.7605 -6.76464 14.8611 -6.81348 86.6417 -9.43912 14.2394 -6.81408 7.4621 TIMING: 4576000 CPU: 14291.5, 0.00313916/step Wall: 14291.5, 0.00313916/step, 0.369724 hours remaining, 236.472656 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: 4576000 4007.4971 20366.7468 14410.0899 234.4430 -203028.0447 2429.3220 0.0000 0.0000 51795.9522 -109783.9936 297.6720 -161579.9458 -109418.7528 297.8586 -7.2555 24.5182 761329.9280 15.2538 15.1144 PRESSURE: 4576200 74.4345 99.7053 -67.0339 99.7061 327.013 104.084 -67.0342 104.084 128.64 GPRESSURE: 4576200 200.642 63.9343 -88.6496 29.5045 291.826 120.842 -31.6507 141.037 132.109 PRESSAVG: 4576200 -48.8902 -22.1257 21.1033 -22.1257 70.1849 8.89823 21.1033 8.89832 7.48585 GPRESSAVG: 4576200 -47.9268 -21.9204 21.7266 -22.9473 68.8282 9.33407 21.55 8.81711 7.93502 TIMING: 4576200 CPU: 14292.1, 0.00312789/step Wall: 14292.1, 0.00312789/step, 0.368222 hours remaining, 236.472656 MB of memory in use. ENERGY: 4576200 3988.8985 20497.4758 14430.5032 242.0934 -203219.0005 2596.0568 0.0000 0.0000 51874.3962 -109589.5764 298.1229 -161463.9726 -109234.6597 297.8590 176.6959 208.1923 761335.2934 9.5935 9.6121 LDB: ============= START OF LOAD BALANCING ============== 14304.6 LDB: ============== END OF LOAD BALANCING =============== 14304.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14304.6 LDB: ============= START OF LOAD BALANCING ============== 14304.9 LDB: Largest compute 7028 load 0.031100 is 15.9% of average load 0.195181 LDB: Average compute 0.004406 is 2.3% of average load 0.195181 LDB: TIME 14304.9 LOAD: AVG 0.195181 MAX 0.215652 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.75 MB LDB: TIME 14304.9 LOAD: AVG 0.195181 MAX 0.215652 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.953 MB LDB: TIME 14304.9 LOAD: AVG 0.195181 MAX 0.215652 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.953 MB LDB: ============== END OF LOAD BALANCING =============== 14304.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14304.9 PRESSURE: 4576400 -436.924 43.2392 139.848 43.2395 -188.785 -323.433 139.848 -323.433 -325.036 GPRESSURE: 4576400 -398.517 138.632 191.597 92.0825 -171.982 -333.421 167.689 -148.973 -299.847 PRESSAVG: 4576400 -44.571 -7.57214 -0.206514 -7.57217 33.3868 -8.87763 -0.206491 -8.87758 -14.8665 GPRESSAVG: 4576400 -45.0558 -7.58048 -0.965983 -4.6607 34.7519 -10.755 0.221322 -7.64791 -15.7696 TIMING: 4576400 CPU: 14292.7, 0.00318885/step Wall: 14292.7, 0.00318885/step, 0.375222 hours remaining, 234.195312 MB of memory in use. ENERGY: 4576400 4059.7864 20416.8506 14451.2616 246.1154 -203177.4425 2534.3415 0.0000 0.0000 51947.6130 -109521.4741 298.5436 -161469.0871 -109162.6246 298.6107 -316.9150 -290.1157 762818.9355 -8.6836 -8.6912 PRESSURE: 4576600 -319.099 17.9158 264.036 17.9156 -137.259 50.1219 264.037 50.1202 107.085 GPRESSURE: 4576600 -249.147 59.0518 248.169 -80.3187 -82.3572 42.3886 223.262 15.6311 51.4718 PRESSAVG: 4576600 -40.6859 -44.0476 -17.2789 -44.0476 31.2927 -49.331 -17.2789 -49.331 1.2555 GPRESSAVG: 4576600 -39.4523 -44.0838 -16.6943 -45.7233 30.4227 -46.8972 -17.4329 -52.3599 0.556561 TIMING: 4576600 CPU: 14293.3, 0.00310764/step Wall: 14293.3, 0.00310764/step, 0.365494 hours remaining, 234.195312 MB of memory in use. ENERGY: 4576600 3937.1550 20574.2199 14446.3252 225.9909 -203244.1027 2545.1152 0.0000 0.0000 51986.9274 -109528.3689 298.7696 -161515.2963 -109166.8698 298.8019 -116.4244 -93.3443 760875.9835 -2.7126 -2.8243 PRESSURE: 4576800 -66.1141 -161.615 61.9773 -161.615 167.543 -50.5474 61.9774 -50.5467 -285.003 GPRESSURE: 4576800 -78.2759 -110.668 30.7226 -233.042 155.332 -69.1051 71.4539 32.299 -177.002 PRESSAVG: 4576800 -11.3073 -15.2484 -0.628634 -15.2485 18.7601 -39.3819 -0.628593 -39.3818 -0.685823 GPRESSAVG: 4576800 -11.1685 -16.5776 -0.976507 -15.4962 18.0516 -41.1892 -1.05307 -38.0545 -0.261438 TIMING: 4576800 CPU: 14294, 0.00310082/step Wall: 14294, 0.00310082/step, 0.364519 hours remaining, 234.261719 MB of memory in use. ENERGY: 4576800 4007.1456 20612.8328 14455.6672 238.4986 -203255.5040 2408.4170 0.0000 0.0000 52002.0952 -109530.8477 298.8568 -161532.9429 -109184.2024 298.8239 -61.1915 -33.3153 761102.6711 2.2556 2.2072 PRESSURE: 4577000 48.6017 119.079 91.2416 119.079 -33.5178 62.5431 91.2419 62.5431 64.554 GPRESSURE: 4577000 -59.5448 41.391 174.01 140.826 108.78 104.577 111.955 9.58288 103.537 PRESSAVG: 4577000 -61.3963 -41.3742 66.1585 -41.3742 73.0701 8.70529 66.1584 8.70524 14.509 GPRESSAVG: 4577000 -62.6882 -41.9465 67.0696 -38.5734 74.7647 10.2832 66.5229 7.8652 14.2802 TIMING: 4577000 CPU: 14294.6, 0.0031001/step Wall: 14294.6, 0.0031001/step, 0.364261 hours remaining, 234.261719 MB of memory in use. ENERGY: 4577000 3996.2944 20596.2272 14455.8332 275.3284 -203218.1211 2542.0653 0.0000 0.0000 51820.8557 -109531.5169 297.8152 -161352.3726 -109175.2105 298.4845 26.5460 50.9241 761088.1758 8.7276 8.7856 PRESSURE: 4577200 -196.467 -212.95 79.2346 -212.95 -582.653 158.255 79.2342 158.255 28.2984 GPRESSURE: 4577200 -249.384 -303.785 146.273 -121.423 -497.715 168.661 86.6869 201.975 76.9797 PRESSAVG: 4577200 34.5741 -78.1204 44.3282 -78.1205 2.79136 35.6097 44.3281 35.6097 -9.2916 GPRESSAVG: 4577200 34.5939 -75.9087 43.1048 -79.9954 1.4906 34.4942 45.4038 39.3644 -8.83211 TIMING: 4577200 CPU: 14295.2, 0.00310185/step Wall: 14295.2, 0.00310185/step, 0.364295 hours remaining, 234.261719 MB of memory in use. ENERGY: 4577200 3940.2114 20478.9118 14352.1945 253.3859 -203099.5524 2418.7153 0.0000 0.0000 51961.8352 -109694.2984 298.6254 -161656.1336 -109326.4379 298.5765 -250.2736 -223.3732 763120.4216 9.3580 9.0841 PRESSURE: 4577400 -266.982 -149.492 25.2164 -149.491 -153.533 -74.7287 25.2161 -74.7287 41.381 GPRESSURE: 4577400 -263.817 -221.424 -51.8765 -85.3633 -136.18 8.45256 -8.72887 -176.171 92.3804 PRESSAVG: 4577400 -22.3121 -52.1765 36.4925 -52.1765 28.961 43.9975 36.4925 43.9976 9.16226 GPRESSAVG: 4577400 -22.9968 -52.1679 36.2074 -53.7453 29.8445 44.8399 33.9884 40.7989 9.62321 TIMING: 4577400 CPU: 14295.8, 0.00309341/step Wall: 14295.8, 0.00309341/step, 0.363132 hours remaining, 234.261719 MB of memory in use. ENERGY: 4577400 3968.4452 20572.1339 14427.2813 257.8414 -203114.5838 2535.7148 0.0000 0.0000 51809.1890 -109543.9781 297.7481 -161353.1671 -109185.5646 298.8965 -126.3781 -102.5388 761985.9671 5.2704 5.4903 PRESSURE: 4577600 -8.22886 -236.347 28.3504 -236.347 -84.7536 25.9703 28.3511 25.9696 96.2624 GPRESSURE: 4577600 -36.9018 -189.199 -98.1356 -260.876 11.4904 35.0945 71.6321 63.7782 119.371 PRESSAVG: 4577600 -24.5206 -30.6183 16.9748 -30.6183 40.5519 -24.7392 16.9748 -24.7392 -12.2039 GPRESSAVG: 4577600 -22.6574 -28.7927 18.4723 -31.4544 39.3539 -23.9029 17.6134 -22.7939 -12.4795 TIMING: 4577600 CPU: 14296.4, 0.00310766/step Wall: 14296.4, 0.00310766/step, 0.364632 hours remaining, 234.261719 MB of memory in use. ENERGY: 4577600 3969.0584 20645.9325 14355.4058 254.5130 -203384.6574 2509.0572 0.0000 0.0000 51993.6525 -109657.0380 298.8082 -161650.6905 -109302.4043 298.8017 1.0933 31.3200 761431.6466 1.2758 1.4057 PRESSURE: 4577800 -106.785 -55.853 16.5207 -55.8517 -685.465 33.5241 16.5203 33.5236 131.687 GPRESSURE: 4577800 -105.203 -17.2736 -15.0691 -97.193 -620.447 34.6066 21.8985 72.9854 128.222 PRESSAVG: 4577800 37.8797 -43.6733 1.08973 -43.6733 -48.7435 -9.91265 1.08973 -9.91263 6.9887 GPRESSAVG: 4577800 36.0469 -46.2905 0.726255 -43.4046 -46.3072 -11.5043 -0.313607 -10.5949 6.60925 TIMING: 4577800 CPU: 14297.1, 0.00311393/step Wall: 14297.1, 0.00311393/step, 0.365195 hours remaining, 234.261719 MB of memory in use. ENERGY: 4577800 4061.4708 20446.8003 14443.9501 254.8203 -203541.7688 2494.5240 0.0000 0.0000 52258.7341 -109581.4692 300.3317 -161840.2032 -109220.8850 299.2518 -220.1878 -199.1425 762877.8591 -1.2917 -1.2170 PRESSURE: 4578000 -409.078 -17.8445 -47.549 -17.8455 -542.827 32.9327 -47.5492 32.9328 -75.0805 GPRESSURE: 4578000 -337.322 -38.0595 -144.498 51.1569 -521.83 89.9758 72.7032 -89.4527 -89.3138 PRESSAVG: 4578000 -69.6813 -37.1066 36.5737 -37.1066 30.9058 27.9514 36.5737 27.9514 -13.8367 GPRESSAVG: 4578000 -69.2781 -35.9551 34.9025 -37.5236 30.1567 28.8979 37.9866 28.3026 -13.3559 TIMING: 4578000 CPU: 14297.7, 0.00311236/step Wall: 14297.7, 0.00311236/step, 0.364837 hours remaining, 234.261719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4578000 3923.4415 20449.7873 14446.7651 242.3096 -203459.1272 2456.9701 0.0000 0.0000 52194.0950 -109745.7586 299.9602 -161939.8535 -109373.8692 299.0389 -342.3284 -316.1552 761912.6153 -17.5374 -17.4924 PRESSURE: 4578200 127.957 355.082 -170.868 355.082 -21.6351 -16.1967 -170.867 -16.1961 104.926 GPRESSURE: 4578200 202.567 318.865 -132.231 370.813 -54.5153 -7.04154 -214.655 -79.722 143.953 PRESSAVG: 4578200 -21.6478 -41.7382 2.87258 -41.7382 32.2768 72.558 2.87254 72.558 -2.20574 GPRESSAVG: 4578200 -21.4219 -43.4593 3.52857 -41.7118 31.4985 72.0467 4.02463 73.4912 -1.5014 TIMING: 4578200 CPU: 14298.3, 0.00311242/step Wall: 14298.3, 0.00311242/step, 0.364672 hours remaining, 234.261719 MB of memory in use. ENERGY: 4578200 3900.6247 20523.8352 14379.3477 244.5081 -203368.6009 2659.0301 0.0000 0.0000 51996.9101 -109664.3450 298.8270 -161661.2552 -109310.2801 298.5246 70.4161 97.3347 761392.6672 2.8078 2.8584 PRESSURE: 4578400 518.158 -36.7471 141.573 -36.7466 207.651 -103.002 141.574 -103.003 62.9027 GPRESSURE: 4578400 580.185 -127.372 77.0178 -27.1284 148.437 -116.23 176.068 -17.8638 151.77 PRESSAVG: 4578400 -22.5649 -7.05447 2.12655 -7.05444 19.4496 -10.6834 2.12652 -10.6834 -2.77382 GPRESSAVG: 4578400 -21.0993 -5.97459 3.06925 -7.64428 19.5237 -9.5796 -0.126569 -9.71494 -4.57261 TIMING: 4578400 CPU: 14298.9, 0.00309756/step Wall: 14298.9, 0.00309756/step, 0.362759 hours remaining, 234.261719 MB of memory in use. ENERGY: 4578400 3991.5227 20401.7240 14343.8935 243.6156 -203428.8768 2967.5575 0.0000 0.0000 51865.0760 -109615.4874 298.0693 -161480.5634 -109266.0185 298.3776 262.9038 293.4641 760846.0632 -1.9630 -2.0494 PRESSURE: 4578600 -502.617 41.1086 84.8618 41.1087 -57.3033 -8.308 84.862 -8.30819 126.558 GPRESSURE: 4578600 -395.798 145.984 77.586 67.1232 -63.0424 -46.6932 -29.307 -67.8755 105.113 PRESSAVG: 4578600 18.1427 -56.0343 19.7021 -56.0344 3.72512 -21.4815 19.7021 -21.4815 5.58366 GPRESSAVG: 4578600 17.3355 -55.2228 20.2225 -54.2961 4.39594 -22.5623 18.0758 -22.275 5.60435 TIMING: 4578600 CPU: 14299.6, 0.00310668/step Wall: 14299.6, 0.00310668/step, 0.363655 hours remaining, 234.261719 MB of memory in use. ENERGY: 4578600 4030.9224 20485.5712 14398.0858 237.7305 -202950.2981 2442.6609 0.0000 0.0000 51910.2776 -109445.0497 298.3291 -161355.3273 -109092.8209 298.6920 -144.4541 -117.9093 762814.6636 9.1505 9.1119 PRESSURE: 4578800 383.5 -33.5863 -70.3011 -33.5877 110.477 -91.7458 -70.3002 -91.7464 -346.269 GPRESSURE: 4578800 330.342 -18.2501 -97.6003 18.0463 91.1741 -37.487 -101.809 -153.408 -191.145 PRESSAVG: 4578800 -55.765 -28.3307 -22.4163 -28.3307 1.13024 -28.4074 -22.4164 -28.4074 -12.4033 GPRESSAVG: 4578800 -56.5087 -27.1372 -22.6208 -28.1164 1.73747 -28.0148 -20.0582 -28.9752 -12.4873 TIMING: 4578800 CPU: 14300.2, 0.00310823/step Wall: 14300.2, 0.00310823/step, 0.363663 hours remaining, 234.261719 MB of memory in use. ENERGY: 4578800 3980.1192 20560.4254 14365.1308 227.6980 -202933.6037 2494.8519 0.0000 0.0000 51929.9313 -109375.4472 298.4420 -161305.3785 -109026.8526 299.0386 49.2360 76.7903 763811.3428 -22.3460 -22.4195 PRESSURE: 4579000 39.6666 -333.624 -55.2449 -333.625 166.917 -44.3708 -55.2447 -44.3704 243.145 GPRESSURE: 4579000 85.7591 -380.623 -107.446 -224.829 147.89 9.45398 -6.41166 51.5197 309.443 PRESSAVG: 4579000 -12.2184 -24.8463 -33.0978 -24.8463 48.9509 -17.3676 -33.0977 -17.3675 35.3305 GPRESSAVG: 4579000 -10.5309 -27.3659 -35.2348 -25.1386 47.1856 -16.3008 -31.9454 -18.6085 35.3692 TIMING: 4579000 CPU: 14300.8, 0.00311308/step Wall: 14300.8, 0.00311308/step, 0.364058 hours remaining, 234.261719 MB of memory in use. ENERGY: 4579000 3980.9106 20480.5533 14412.2146 233.9700 -203533.1163 2967.7798 0.0000 0.0000 51949.1472 -109508.5409 298.5525 -161457.6881 -109143.4669 298.6397 149.9097 181.0305 763861.3581 24.0210 24.0080 PRESSURE: 4579200 542.664 -62.5416 -2.06948 -62.5415 148.88 -19.4002 -2.069 -19.3995 567.901 GPRESSURE: 4579200 611.812 7.52114 -25.5992 -258.968 128.449 33.8532 68.723 -7.71 604.881 PRESSAVG: 4579200 -7.22751 -102.406 7.30569 -102.406 -6.92089 -38.2401 7.30575 -38.2401 17.2995 GPRESSAVG: 4579200 -7.58108 -100.371 7.82059 -102.962 -6.17278 -37.8352 6.61452 -37.028 17.1739 TIMING: 4579200 CPU: 14301.4, 0.00310305/step Wall: 14301.4, 0.00310305/step, 0.362712 hours remaining, 234.261719 MB of memory in use. ENERGY: 4579200 3990.4437 20591.3778 14328.1802 241.1268 -203643.5418 3157.8268 0.0000 0.0000 51864.8234 -109469.7630 298.0679 -161334.5865 -109115.2752 299.1223 419.8149 448.3805 761438.5221 1.0504 1.1400 PRESSURE: 4579400 -70.2581 81.6968 -74.9877 81.6977 -289.22 -19.2286 -74.9878 -19.2276 109.257 GPRESSURE: 4579400 -60.3686 -12.1752 -103.762 54.7635 -135.682 -20.7299 -101.623 12.7801 17.8043 PRESSAVG: 4579400 -19.2109 -89.5974 20.7486 -89.5974 50.1026 37.013 20.7485 37.013 2.7206 GPRESSAVG: 4579400 -18.8972 -92.5459 21.1052 -87.8873 50.5668 36.5039 21.3142 37.7088 1.74933 TIMING: 4579400 CPU: 14302, 0.00309591/step Wall: 14302, 0.00309591/step, 0.361705 hours remaining, 234.261719 MB of memory in use. ENERGY: 4579400 3997.6601 20575.0545 14333.7667 236.2652 -203050.5851 2566.3378 0.0000 0.0000 52100.4282 -109241.0725 299.4219 -161341.5007 -108878.2857 299.9239 -83.4072 -59.4156 763375.6126 11.2041 11.1397 PRESSURE: 4579600 -215.236 -135.372 -60.0161 -135.372 -287.547 -65.6363 -60.0168 -65.6366 -245.807 GPRESSURE: 4579600 -234.3 -101.898 -0.378772 -31.1408 -164.087 -41.2868 53.2706 0.786244 -255.957 PRESSAVG: 4579600 -31.6614 -26.6522 -35.3413 -26.6523 45.0327 48.7074 -35.3413 48.7074 26.1209 GPRESSAVG: 4579600 -31.3486 -25.1525 -33.8907 -28.0863 44.3346 47.8222 -37.8297 47.4479 27.207 TIMING: 4579600 CPU: 14302.7, 0.00310025/step Wall: 14302.7, 0.00310026/step, 0.362041 hours remaining, 234.261719 MB of memory in use. ENERGY: 4579600 4024.6680 20647.8359 14305.3414 248.1009 -202907.8120 2208.6687 0.0000 0.0000 52126.2612 -109346.9358 299.5703 -161473.1970 -108997.5557 299.4775 -249.5302 -218.1148 761617.8673 13.1640 13.3977 PRESSURE: 4579800 -131.279 188.888 -14.9195 188.888 -51.0986 -188.441 -14.9198 -188.441 -203.977 GPRESSURE: 4579800 -109.04 293.925 2.68508 251.506 -6.8387 -159.151 -92.4551 -266.258 -195.532 PRESSAVG: 4579800 20.4834 20.1099 1.25048 20.11 -2.30593 11.2319 1.2505 11.2319 -0.120052 GPRESSAVG: 4579800 20.0631 20.7084 1.37781 19.0543 -1.43767 11.6317 3.81219 9.93736 -0.347841 TIMING: 4579800 CPU: 14303.3, 0.00309142/step Wall: 14303.3, 0.00309142/step, 0.360837 hours remaining, 234.261719 MB of memory in use. ENERGY: 4579800 3946.2259 20666.0443 14381.1277 234.3092 -203736.2591 2882.8444 0.0000 0.0000 52274.9899 -109350.7177 300.4251 -161625.7076 -108990.6075 299.3701 -128.7848 -103.8034 762729.2261 6.0191 6.0925 PRESSURE: 4580000 -196.371 -12.9324 -6.49781 -12.9327 -63.0349 90.9404 -6.49773 90.9408 -416.668 GPRESSURE: 4580000 -179.86 -64.9366 125.059 -97.1987 -10.1903 161.38 40.7744 55.0658 -396.206 PRESSAVG: 4580000 -80.2823 -23.0196 16.0854 -23.0196 41.6554 33.127 16.0855 33.1271 -12.1975 GPRESSAVG: 4580000 -79.6015 -24.2671 14.89 -24.2202 40.5395 31.8857 15.4773 33.0908 -11.2733 TIMING: 4580000 CPU: 14303.9, 0.00310845/step Wall: 14303.9, 0.00310845/step, 0.362652 hours remaining, 234.250000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4580000 4074.5013 20469.9837 14515.4184 234.3324 -203558.5150 2693.0127 0.0000 0.0000 52212.6076 -109358.6591 300.0666 -161571.2666 -108988.4011 299.2653 -225.3580 -195.4189 762010.6561 -16.9415 -16.7785 PRESSURE: 4580200 -173.38 8.77574 121.149 8.77543 -215.553 -98.5833 121.149 -98.5842 -282.767 GPRESSURE: 4580200 -175.768 -86.7763 133.282 35.9911 -201.476 -61.44 56.0244 -22.6094 -189.207 PRESSAVG: 4580200 -28.8937 -57.2301 41.0597 -57.2301 4.26142 14.4937 41.0597 14.4937 14.9955 GPRESSAVG: 4580200 -29.0485 -54.8527 39.7735 -56.6195 4.94261 14.5822 41.6745 17.1311 15.3883 TIMING: 4580200 CPU: 14304.5, 0.00312987/step Wall: 14304.5, 0.00312987/step, 0.364978 hours remaining, 234.261719 MB of memory in use. ENERGY: 4580200 3961.3181 20367.6782 14423.6569 249.0606 -203390.4112 2746.8265 0.0000 0.0000 52325.5597 -109316.3112 300.7157 -161641.8709 -108953.0564 299.6089 -223.9000 -188.8168 763220.1160 -3.2123 -2.9059 LDB: ============= START OF LOAD BALANCING ============== 14317 LDB: ============== END OF LOAD BALANCING =============== 14317 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14317 LDB: ============= START OF LOAD BALANCING ============== 14317.3 LDB: Largest compute 7030 load 0.030642 is 15.7% of average load 0.195375 LDB: Average compute 0.004415 is 2.3% of average load 0.195375 LDB: TIME 14317.3 LOAD: AVG 0.195375 MAX 0.219125 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.574 MB LDB: TIME 14317.3 LOAD: AVG 0.195375 MAX 0.219125 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.574 MB LDB: TIME 14317.3 LOAD: AVG 0.195375 MAX 0.217889 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.574 MB LDB: ============== END OF LOAD BALANCING =============== 14317.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14317.3 PRESSURE: 4580400 25.3716 -14.6976 -247.556 -14.6979 -223.731 -233.097 -247.556 -233.096 -524.766 GPRESSURE: 4580400 -35.0838 -11.852 -161.58 81.5201 -173.63 -259.184 -285.741 -235.504 -425.214 PRESSAVG: 4580400 -62.6217 -25.6832 -3.52207 -25.6832 21.9154 36.8728 -3.52208 36.8728 5.10937 GPRESSAVG: 4580400 -62.7186 -27.293 -0.527066 -24.5616 22.2916 36.4454 -4.48785 35.7712 4.59113 TIMING: 4580400 CPU: 14305.2, 0.00318918/step Wall: 14305.2, 0.00318918/step, 0.371717 hours remaining, 235.800781 MB of memory in use. ENERGY: 4580400 4093.9233 20501.6785 14415.8336 229.2748 -203239.0615 2600.1070 0.0000 0.0000 52231.5238 -109166.7205 300.1753 -161398.2443 -108806.6674 299.9818 -241.0419 -211.3094 761525.7752 -11.8656 -11.9453 PRESSURE: 4580600 71.4045 2.33665 143.005 2.33679 -63.8197 250.282 143.006 250.281 -145.653 GPRESSURE: 4580600 138.239 -60.5964 71.2554 -51.8571 -145.424 234.803 179.881 170.557 -55.5511 PRESSAVG: 4580600 -24.9647 17.2629 39.2807 17.2629 44.7277 -0.797892 39.2807 -0.797907 29.9993 GPRESSAVG: 4580600 -23.3614 14.2477 36.622 19.285 43.1769 0.321288 39.9657 -0.0023393 30.0394 TIMING: 4580600 CPU: 14305.8, 0.00310279/step Wall: 14305.8, 0.00310279/step, 0.361475 hours remaining, 235.800781 MB of memory in use. ENERGY: 4580600 4061.3804 20699.7217 14382.8586 248.2615 -203232.7917 2614.4540 0.0000 0.0000 52052.0736 -109174.0418 299.1440 -161226.1154 -108814.0309 300.2427 -46.0227 -20.9122 762271.1263 16.5874 16.6183 PRESSURE: 4580800 -84.5268 -95.7884 309.239 -95.7884 -136.481 -63.9359 309.239 -63.9342 -46.5728 GPRESSURE: 4580800 -139.987 -46.3385 364.796 -77.4895 -85.9561 -135.743 124.434 -139.558 15.8195 PRESSAVG: 4580800 -69.7185 -42.77 6.47398 -42.77 86.5433 32.9368 6.47397 32.9368 4.93382 GPRESSAVG: 4580800 -71.4327 -39.5451 7.94217 -44.1075 88.3551 31.5539 4.78507 31.5844 4.86724 TIMING: 4580800 CPU: 14306.4, 0.00309905/step Wall: 14306.4, 0.00309905/step, 0.360867 hours remaining, 235.800781 MB of memory in use. ENERGY: 4580800 4034.5093 20510.6173 14420.5366 237.2727 -203192.1136 2722.3678 0.0000 0.0000 52203.0387 -109063.7712 300.0116 -161266.8099 -108690.1952 299.7977 -89.1935 -70.0414 763746.9098 7.2529 7.2632 PRESSURE: 4581000 112.749 -151.364 -91.0565 -151.365 -232.641 148.571 -91.0574 148.571 92.0651 GPRESSURE: 4581000 161.957 42.2275 -147.819 -186.024 -169.031 89.0686 -53.4561 173.071 58.9223 PRESSAVG: 4581000 -47.6714 47.9821 12.5407 47.982 30.0926 31.8974 12.5406 31.8975 -3.87891 GPRESSAVG: 4581000 -47.6956 48.2422 10.9 48.7368 29.6522 29.9106 16.3602 32.4369 -2.95616 TIMING: 4581000 CPU: 14307, 0.00310211/step Wall: 14307, 0.00310211/step, 0.361051 hours remaining, 235.859375 MB of memory in use. ENERGY: 4581000 3973.3109 20542.2024 14416.4573 226.2498 -203474.7418 2919.6114 0.0000 0.0000 52306.5678 -109090.3422 300.6066 -161396.9100 -108726.7241 300.0987 -9.2755 17.2827 761871.5125 -7.1526 -6.9999 PRESSURE: 4581200 -262.7 -1.09955 -99.9757 -1.09898 52.942 181.6 -99.976 181.602 184.426 GPRESSURE: 4581200 -110.265 51.6817 -121.072 10.2488 69.667 190.611 -46.0925 101.762 95.6356 PRESSAVG: 4581200 -16.786 49.0576 12.3375 49.0576 3.33198 4.91135 12.3376 4.91122 -5.98498 GPRESSAVG: 4581200 -14.8184 47.9714 12.7467 48.1385 2.52089 7.92836 9.2873 5.17072 -7.42205 TIMING: 4581200 CPU: 14307.6, 0.003125/step Wall: 14307.6, 0.003125/step, 0.363542 hours remaining, 236.062500 MB of memory in use. ENERGY: 4581200 4003.9673 20685.3942 14464.5153 257.9306 -203101.5245 2565.2963 0.0000 0.0000 52233.6218 -108890.7992 300.1873 -161124.4210 -108533.7414 300.6002 -8.4441 18.3458 763715.4555 -6.4797 -6.5732 PRESSURE: 4581400 333.381 221.033 0.863218 221.033 31.437 -167.126 0.862549 -167.125 -219.076 GPRESSURE: 4581400 351.718 171.099 28.784 143.086 32.0253 -62.8464 32.9288 -174.024 -135.205 PRESSAVG: 4581400 -36.4955 -29.4365 -22.3423 -29.4365 7.63906 2.57924 -22.3423 2.57926 -16.1723 GPRESSAVG: 4581400 -37.7308 -28.3135 -21.0683 -29.8033 8.0204 4.45314 -23.072 1.69808 -15.1567 TIMING: 4581400 CPU: 14308.3, 0.00312732/step Wall: 14308.3, 0.00312732/step, 0.363638 hours remaining, 236.062500 MB of memory in use. ENERGY: 4581400 4023.2630 20620.1199 14354.0522 229.2276 -203205.1697 2679.8308 0.0000 0.0000 52101.5165 -109197.1597 299.4281 -161298.6762 -108829.8394 300.3802 48.5808 82.8459 763055.1309 -15.0096 -14.9557 PRESSURE: 4581600 -455.623 -13.9109 14.6845 -13.9105 -46.4162 -52.8902 14.6845 -52.8901 -84.5645 GPRESSURE: 4581600 -376.182 -2.74476 -106.971 -122.257 -4.86914 -23.8326 -66.7613 -27.7883 -122.332 PRESSAVG: 4581600 29.8721 5.20048 -30.4883 5.20042 1.54819 14.4437 -30.4883 14.4437 -19.3461 GPRESSAVG: 4581600 30.9232 4.45098 -30.6904 4.98721 0.911808 13.5792 -30.7976 14.3609 -19.4063 TIMING: 4581600 CPU: 14308.9, 0.00310413/step Wall: 14308.9, 0.00310413/step, 0.360769 hours remaining, 236.062500 MB of memory in use. ENERGY: 4581600 3979.1684 20575.3222 14382.6115 241.0704 -202758.8900 2252.2548 0.0000 0.0000 51988.2357 -109340.2270 298.7771 -161328.4627 -108981.3844 299.7824 -195.5346 -167.7943 762253.2485 4.0247 4.1429 PRESSURE: 4581800 148.136 -104.938 50.345 -104.938 164.569 -125.538 50.3442 -125.537 -51.0076 GPRESSURE: 4581800 153.039 -89.1353 92.4258 -34.7915 225.739 -164.308 52.1526 -46.5414 -23.8539 PRESSAVG: 4581800 -0.0250867 16.1085 -35.3392 16.1085 -5.135 4.08469 -35.3392 4.08474 -8.86947 GPRESSAVG: 4581800 -2.27213 13.5434 -36.2459 15.711 -2.80837 1.83092 -35.6585 5.18452 -9.17175 TIMING: 4581800 CPU: 14309.5, 0.00309355/step Wall: 14309.5, 0.00309355/step, 0.359368 hours remaining, 236.062500 MB of memory in use. ENERGY: 4581800 3941.8385 20454.7043 14415.0275 245.2908 -203521.2736 2955.3557 0.0000 0.0000 52165.8983 -109343.1586 299.7981 -161509.0568 -108978.2723 299.7517 87.2324 118.3079 762291.4722 -4.6765 -4.7507 PRESSURE: 4582000 -35.498 37.7244 -45.581 37.7243 -233.058 -212.383 -45.5809 -212.383 229.213 GPRESSURE: 4582000 -21.5193 140.956 -79.5354 -2.07789 -153.681 -183.535 -40.3213 -179.095 222.056 PRESSAVG: 4582000 -4.13035 4.02473 -33.3086 4.02475 19.8637 3.4918 -33.3086 3.49178 -30.6338 GPRESSAVG: 4582000 -3.34392 5.72681 -32.8548 3.14307 17.5173 5.01158 -32.2009 3.54043 -29.1765 TIMING: 4582000 CPU: 14310.1, 0.00308705/step Wall: 14310.1, 0.00308705/step, 0.35844 hours remaining, 236.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4582000 4023.1710 20531.6660 14401.2917 233.3118 -203127.0487 2521.5622 0.0000 0.0000 52229.2200 -109186.8260 300.1620 -161416.0460 -108826.1375 299.5584 -13.1144 15.6187 763338.6436 -4.9668 -5.0010 PRESSURE: 4582200 -117.442 -263.982 62.3502 -263.982 -58.6339 -147.439 62.349 -147.439 -215.782 GPRESSURE: 4582200 -129.11 -193.226 -13.4516 -334.267 -45.9429 -124.566 121.202 -189.249 -139.476 PRESSAVG: 4582200 1.63508 26.5875 20.5838 26.5875 -9.99329 -16.8876 20.5838 -16.8877 1.23334 GPRESSAVG: 4582200 0.976269 26.5158 20.4265 27.5328 -9.46902 -17.4679 20.8799 -17.0138 1.57083 TIMING: 4582200 CPU: 14310.7, 0.00309274/step Wall: 14310.7, 0.00309274/step, 0.35893 hours remaining, 236.062500 MB of memory in use. ENERGY: 4582200 4039.2955 20487.2787 14469.4775 250.5089 -203113.1912 2540.6519 0.0000 0.0000 51990.1840 -109335.7947 298.7883 -161325.9787 -108973.8631 299.6253 -130.6193 -104.8427 762013.0704 -2.3750 -2.3073 PRESSURE: 4582400 -266.982 94.7126 76.8318 94.7124 -37.7057 -2.50848 76.8319 -2.50835 -231.87 GPRESSURE: 4582400 -238.756 133.905 41.3995 205.927 -32.7857 -31.3674 114.034 -3.71934 -194.612 PRESSAVG: 4582400 17.661 -13.0168 -23.0037 -13.0168 -10.6748 27.7069 -23.0038 27.7069 4.59425 GPRESSAVG: 4582400 19.7459 -12.0493 -23.4654 -12.0189 -10.1135 25.9111 -18.7013 27.3972 1.90314 TIMING: 4582400 CPU: 14311.4, 0.00308716/step Wall: 14311.4, 0.00308716/step, 0.358111 hours remaining, 236.062500 MB of memory in use. ENERGY: 4582400 4087.2563 20420.7586 14360.0422 238.3591 -203247.0561 2738.9166 0.0000 0.0000 52144.1964 -109257.5271 299.6734 -161401.7235 -108900.3558 299.3503 -178.8526 -155.3844 763658.4170 3.8602 3.8452 PRESSURE: 4582600 -225.46 152.61 -243.648 152.609 312.568 -60.662 -243.647 -60.6624 -325.056 GPRESSURE: 4582600 -176.962 224.574 -333.944 72.0263 292.644 -59.8058 -292.785 -73.2647 -275.079 PRESSAVG: 4582600 31.5886 9.67249 -29.1719 9.67247 -41.5605 0.843237 -29.1718 0.843232 3.37568 GPRESSAVG: 4582600 30.1576 9.1779 -27.4216 9.67355 -41.1921 3.39945 -34.6469 1.36144 4.16269 TIMING: 4582600 CPU: 14312, 0.0031033/step Wall: 14312, 0.0031033/step, 0.35981 hours remaining, 236.062500 MB of memory in use. ENERGY: 4582600 4069.3538 20475.8170 14456.0312 260.5107 -203058.7727 2592.8409 0.0000 0.0000 51976.9878 -109227.2313 298.7125 -161204.2191 -108865.4700 299.3073 -79.3159 -53.1323 762777.8916 -2.1987 -2.2906 PRESSURE: 4582800 196.093 -57.469 36.6494 -57.4686 -110.998 -33.4683 36.6491 -33.4689 -54.9037 GPRESSURE: 4582800 244.167 -10.7497 86.9255 45.5566 -59.1958 -49.9765 132.587 -80.4265 -58.1038 PRESSAVG: 4582800 45.2962 6.04132 1.74211 6.04133 -22.8145 25.8107 1.74212 25.8106 20.9791 GPRESSAVG: 4582800 46.2655 6.34297 0.319108 5.04303 -24.6562 23.4493 6.02461 26.3227 21.5766 TIMING: 4582800 CPU: 14312.6, 0.00313539/step Wall: 14312.6, 0.00313539/step, 0.363357 hours remaining, 236.062500 MB of memory in use. ENERGY: 4582800 3978.6690 20425.5268 14380.4550 247.4606 -203103.2774 2488.0287 0.0000 0.0000 52099.9027 -109483.2345 299.4189 -161583.1372 -109119.5141 299.8211 10.0638 42.2893 762946.1560 14.4869 14.3953 PRESSURE: 4583000 163.733 24.7717 -105.714 24.7711 -36.6331 218.039 -105.714 218.039 -216.318 GPRESSURE: 4583000 110.969 2.71278 -101.038 -10.5007 61.2809 159.545 -153.663 176.785 -189.866 PRESSAVG: 4583000 42.3185 -3.66821 3.42974 -3.66822 -53.0324 11.7581 3.42969 11.7582 -9.92252 GPRESSAVG: 4583000 42.2255 -3.24798 4.37726 -4.08995 -52.9515 13.2533 1.13045 11.3616 -9.94817 TIMING: 4583000 CPU: 14313.2, 0.003116/step Wall: 14313.2, 0.003116/step, 0.360936 hours remaining, 236.050781 MB of memory in use. ENERGY: 4583000 3976.2760 20424.4911 14399.6629 234.4662 -203487.9760 2700.0178 0.0000 0.0000 52302.9182 -109450.1437 300.5856 -161753.0619 -109083.7298 299.4171 -29.7394 -5.8718 762922.5619 -6.8788 -6.8914 PRESSURE: 4583200 -4.93802 0.586976 57.1562 0.587236 -26.2997 -11.8518 57.1551 -11.852 97.3602 GPRESSURE: 4583200 -16.7354 103.826 100.171 14.9342 38.9576 47.0366 120.207 16.5109 110.631 PRESSAVG: 4583200 5.33893 -8.17279 -36.8217 -8.17271 -1.05814 36.0372 -36.8217 36.0372 5.25638 GPRESSAVG: 4583200 4.26777 -6.74428 -36.7427 -8.76707 -0.368895 36.3713 -37.7143 35.0179 5.8876 TIMING: 4583200 CPU: 14313.9, 0.00311501/step Wall: 14313.9, 0.00311501/step, 0.360649 hours remaining, 236.050781 MB of memory in use. ENERGY: 4583200 3975.3713 20534.1954 14390.5139 218.7687 -203152.6961 2678.6626 0.0000 0.0000 52101.4291 -109253.7551 299.4276 -161355.1841 -108892.1069 299.6327 22.0408 44.2845 761950.4545 3.1791 3.2622 PRESSURE: 4583400 -217.399 1.30634 100.255 1.30603 -228.203 188.334 100.256 188.334 295.856 GPRESSURE: 4583400 -121.73 56.201 54.0508 72.7848 -177.095 209.493 223.692 110.718 225.45 PRESSAVG: 4583400 44.1876 -20.2191 -9.34672 -20.219 -3.03233 39.6682 -9.34678 39.6682 -5.63639 GPRESSAVG: 4583400 45.4368 -21.7613 -9.77219 -19.0868 -3.36824 38.7585 -8.38451 40.7646 -6.70971 TIMING: 4583400 CPU: 14314.5, 0.00308992/step Wall: 14314.5, 0.00308992/step, 0.357572 hours remaining, 236.050781 MB of memory in use. ENERGY: 4583400 3960.8451 20516.8542 14451.5397 227.4140 -203659.0602 2746.9988 0.0000 0.0000 52295.4517 -109459.9565 300.5427 -161755.4083 -109094.3907 299.7615 -49.9153 -24.4584 761453.0120 11.8396 11.7863 PRESSURE: 4583600 48.994 -111.341 -125.889 -111.341 70.4071 6.60449 -125.889 6.60282 127.448 GPRESSURE: 4583600 69.6329 -150.357 -75.4045 -31.0576 94.6183 -22.2002 -129.92 -9.33436 182.719 PRESSAVG: 4583600 29.4181 -21.1543 9.89196 -21.1543 -10.5412 -41.9957 9.89191 -41.9957 17.1431 GPRESSAVG: 4583600 29.4589 -19.7071 9.86964 -21.4508 -10.5123 -43.8952 10.4881 -41.3963 17.1496 TIMING: 4583600 CPU: 14315.1, 0.00308543/step Wall: 14315.1, 0.00308543/step, 0.356881 hours remaining, 236.050781 MB of memory in use. ENERGY: 4583600 3984.5562 20484.2535 14413.4541 228.5049 -203252.7548 2860.8917 0.0000 0.0000 51860.4060 -109420.6885 298.0425 -161281.0945 -109062.0880 298.8166 82.2829 115.6566 763234.3696 12.0067 12.0321 PRESSURE: 4583800 87.867 -92.7367 -88.9996 -92.7366 123.148 161.066 -88.9992 161.067 163.436 GPRESSURE: 4583800 78.1602 21.6269 -152.168 -55.1304 144.871 119.702 -147.52 146.833 222.49 PRESSAVG: 4583800 18.8062 34.0834 6.22486 34.0834 -36.2326 -6.54836 6.22485 -6.54829 -15.5302 GPRESSAVG: 4583800 17.981 33.9793 7.03008 33.3835 -35.835 -5.17069 5.60655 -6.03412 -14.7196 TIMING: 4583800 CPU: 14315.7, 0.00310117/step Wall: 14315.7, 0.00310117/step, 0.358529 hours remaining, 236.074219 MB of memory in use. ENERGY: 4583800 3925.2577 20622.0869 14416.5611 229.3101 -203189.1597 2722.3081 0.0000 0.0000 52054.4171 -109219.2188 299.1575 -161273.6358 -108853.4177 299.3379 124.8169 148.5072 762963.6897 -10.9856 -10.8578 PRESSURE: 4584000 -89.5202 120.287 -119.223 120.287 179.6 -46.0531 -119.224 -46.0517 -217.898 GPRESSURE: 4584000 -5.81864 135.702 -3.47279 74.0779 167.882 67.0017 -158.729 22.6185 -195.468 PRESSAVG: 4584000 66.2209 -53.7421 46.9505 -53.7422 4.22319 65.4182 46.9506 65.4181 -13.3871 GPRESSAVG: 4584000 66.4479 -54.0938 47.1509 -53.7233 3.26681 66.4736 47.544 63.2631 -13.2085 TIMING: 4584000 CPU: 14316.3, 0.00311032/step Wall: 14316.3, 0.00311032/step, 0.359414 hours remaining, 236.074219 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: 4584000 3964.5403 20530.9021 14367.7158 240.3187 -203199.2057 2707.3829 0.0000 0.0000 52041.4162 -109346.9297 299.0827 -161388.3459 -108985.4777 299.3076 -42.6058 -11.1348 762983.6019 19.0190 18.8354 PRESSURE: 4584200 130.707 29.2 121.313 29.1999 125.146 249.489 121.314 249.489 -110.214 GPRESSURE: 4584200 231.591 -31.6489 117.736 -72.2725 98.8197 260.184 154.727 229.302 -96.652 PRESSAVG: 4584200 18.8171 -29.7445 14.1176 -29.7445 -3.53704 22.5885 14.1175 22.5885 9.14663 GPRESSAVG: 4584200 18.8079 -30.2473 15.4742 -27.8235 -3.551 20.9911 12.7159 23.4722 9.30841 TIMING: 4584200 CPU: 14317, 0.00312642/step Wall: 14317, 0.00312642/step, 0.361101 hours remaining, 236.074219 MB of memory in use. ENERGY: 4584200 4040.1667 20597.4482 14359.9707 243.8121 -203198.7835 2794.6645 0.0000 0.0000 51945.6588 -109217.0625 298.5324 -161162.7213 -108848.4585 299.6336 48.5464 77.9195 760867.7861 8.1422 8.1884 LDB: ============= START OF LOAD BALANCING ============== 14329.4 LDB: ============== END OF LOAD BALANCING =============== 14329.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14329.4 LDB: ============= START OF LOAD BALANCING ============== 14329.8 LDB: Largest compute 7026 load 0.030542 is 15.6% of average load 0.195214 LDB: Average compute 0.004409 is 2.3% of average load 0.195214 LDB: TIME 14329.8 LOAD: AVG 0.195214 MAX 0.222226 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.52 MB LDB: TIME 14329.8 LOAD: AVG 0.195214 MAX 0.222226 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.676 MB LDB: TIME 14329.8 LOAD: AVG 0.195214 MAX 0.216306 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.676 MB LDB: ============== END OF LOAD BALANCING =============== 14329.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14329.8 PRESSURE: 4584400 95.8307 -143.407 99.5384 -143.407 -5.46102 136.769 99.5386 136.769 387.082 GPRESSURE: 4584400 170.496 -175.255 79.313 -124.203 -10.6607 71.6767 65.5018 98.8256 397.141 PRESSAVG: 4584400 34.517 5.43666 -48.7362 5.43663 -23.7604 32.9188 -48.7362 32.9188 -4.75466 GPRESSAVG: 4584400 34.3658 5.7097 -47.2316 3.72072 -24.2346 33.6331 -48.4454 33.9315 -4.21076 TIMING: 4584400 CPU: 14317.6, 0.0031808/step Wall: 14317.6, 0.0031808/step, 0.367205 hours remaining, 236.277344 MB of memory in use. ENERGY: 4584400 4018.8526 20506.5755 14404.1548 242.8439 -203319.1635 2699.7450 0.0000 0.0000 52090.0949 -109356.8969 299.3625 -161446.9918 -108995.1560 299.5949 159.1505 185.6588 762355.3679 2.0007 1.9735 PRESSURE: 4584600 -117.338 177.562 68.8642 177.562 -258.569 57.1741 68.8639 57.1742 88.5342 GPRESSURE: 4584600 -147.878 259.99 -79.9262 88.1419 -121.611 64.2 69.2375 31.6071 57.7515 PRESSAVG: 4584600 41.3647 -26.6123 -7.57961 -26.6123 -70.5512 -42.5456 -7.57963 -42.5457 -28.7061 GPRESSAVG: 4584600 41.6122 -26.5557 -10.5803 -25.7905 -69.3789 -41.5056 -8.20061 -44.3262 -29.3645 TIMING: 4584600 CPU: 14318.2, 0.003094/step Wall: 14318.2, 0.003094/step, 0.357014 hours remaining, 236.480469 MB of memory in use. ENERGY: 4584600 4109.8797 20507.9309 14387.2765 252.1031 -202963.6309 2293.8338 0.0000 0.0000 52184.2043 -109228.4025 299.9033 -161412.6068 -108871.6499 299.5258 -95.7911 -70.5791 762641.7044 -19.2975 -19.0437 PRESSURE: 4584800 -284.961 186.888 37.529 186.887 -68.4642 -94.3322 37.5285 -94.3325 -157.542 GPRESSURE: 4584800 -220.977 158.05 -11.5151 160.977 -56.9806 -63.8709 35.5202 -71.3162 -154.356 PRESSAVG: 4584800 1.38232 -68.4938 -19.1489 -68.4939 14.9396 -43.6317 -19.1488 -43.6318 17.2239 GPRESSAVG: 4584800 1.98734 -69.2152 -19.2047 -67.0657 15.0989 -42.8135 -17.2212 -42.5199 17.3884 TIMING: 4584800 CPU: 14318.8, 0.00309341/step Wall: 14318.8, 0.00309341/step, 0.356773 hours remaining, 236.605469 MB of memory in use. ENERGY: 4584800 4071.0940 20575.1609 14333.9900 261.5238 -203144.9977 2593.5180 0.0000 0.0000 52258.2812 -109051.4298 300.3291 -161309.7110 -108689.0378 299.6827 -170.3221 -144.1045 762582.6458 11.1820 11.4915 PRESSURE: 4585000 -97.0309 -98.7679 -52.5584 -98.7684 -21.2162 337.709 -52.5588 337.709 -204.542 GPRESSURE: 4585000 15.8398 -148.491 -19.5205 -78.6443 -36.1018 342.557 75.3625 232.15 -217.596 PRESSAVG: 4585000 29.7675 -19.8095 -14.0844 -19.8095 -20.9445 13.3414 -14.0843 13.3414 16.0912 GPRESSAVG: 4585000 28.8278 -19.4201 -12.6621 -21.4289 -21.397 12.5477 -16.9612 12.3537 17.0335 TIMING: 4585000 CPU: 14319.5, 0.00309672/step Wall: 14319.5, 0.00309672/step, 0.356983 hours remaining, 236.605469 MB of memory in use. ENERGY: 4585000 3968.0535 20599.8035 14296.6006 265.4156 -203348.0068 2794.9722 0.0000 0.0000 52226.5403 -109196.6212 300.1466 -161423.1614 -108834.8967 299.9635 -107.5963 -79.2860 761450.9393 8.3047 8.1548 PRESSURE: 4585200 -125.932 -88.4648 100.555 -88.4645 45.6337 -29.834 100.555 -29.8341 -290.254 GPRESSURE: 4585200 -117.855 -153.611 43.5196 -60.4219 99.0939 106.063 17.845 -61.0082 -288.746 PRESSAVG: 4585200 82.9706 -10.9799 -77.26 -10.9799 -45.3965 4.20438 -77.2601 4.20434 -10.8815 GPRESSAVG: 4585200 83.4471 -9.62362 -78.7179 -10.8834 -44.7883 2.79106 -77.5131 7.23968 -12.4157 TIMING: 4585200 CPU: 14320.1, 0.00310057/step Wall: 14320.1, 0.00310057/step, 0.357255 hours remaining, 236.648438 MB of memory in use. ENERGY: 4585200 4004.4881 20543.2461 14358.1586 265.6537 -202701.3032 2262.2277 0.0000 0.0000 52147.4478 -109120.0811 299.6921 -161267.5289 -108759.2008 299.6947 -123.5174 -102.5022 762441.6359 8.8975 8.7477 PRESSURE: 4585400 -518.66 -128.054 126.319 -128.054 -192.393 43.4323 126.319 43.4325 142.076 GPRESSURE: 4585400 -496.352 -97.1591 118.381 -267.891 -129.055 13.663 85.732 -12.5805 145.57 PRESSAVG: 4585400 15.776 -10.8643 -46.076 -10.8643 14.0036 26.9712 -46.0761 26.9711 17.2161 GPRESSAVG: 4585400 15.936 -11.9626 -47.4279 -11.3361 13.0173 27.1593 -44.4725 23.8044 17.7684 TIMING: 4585400 CPU: 14320.7, 0.00312266/step Wall: 14320.7, 0.00312266/step, 0.359626 hours remaining, 236.648438 MB of memory in use. ENERGY: 4585400 4057.0721 20759.2959 14309.3410 239.7253 -203255.5942 2658.9667 0.0000 0.0000 52007.9592 -109223.2340 298.8905 -161231.1932 -108867.8577 300.3168 -189.6591 -159.9456 763927.3332 15.6652 15.5739 PRESSURE: 4585600 294.551 133.444 209.041 133.444 -224.428 122.018 209.042 122.018 173.021 GPRESSURE: 4585600 328.026 189.939 121.226 76.3249 -151.618 189.509 242.527 143.234 156.501 PRESSAVG: 4585600 -40.2941 -20.3487 26.8266 -20.3487 -1.28113 13.0489 26.8266 13.0488 10.5789 GPRESSAVG: 4585600 -41.1753 -19.6892 28.5966 -19.2593 0.444615 15.4113 27.6448 13.9081 9.7838 TIMING: 4585600 CPU: 14321.3, 0.00309549/step Wall: 14321.3, 0.00309549/step, 0.356325 hours remaining, 236.648438 MB of memory in use. ENERGY: 4585600 3884.7498 20690.7490 14364.7181 251.5157 -203535.3378 2809.5080 0.0000 0.0000 52328.7742 -109205.3230 300.7342 -161534.0972 -108841.2351 299.4723 81.0479 110.9696 763044.6184 -10.3321 -10.3156 PRESSURE: 4585800 -262.248 37.7728 -179.555 37.7736 -297.226 182.327 -179.555 182.326 177.123 GPRESSURE: 4585800 -223.199 71.9616 -93.0812 -41.1902 -245.262 78.0714 -315.243 152.186 170.444 PRESSAVG: 4585800 -2.17774 -54.7526 -20.5674 -54.7526 32.7508 74.4819 -20.5674 74.4819 -28.6576 GPRESSAVG: 4585800 -2.40259 -57.2393 -20.9182 -54.8552 31.3266 72.4315 -22.5118 74.2056 -27.0227 TIMING: 4585800 CPU: 14321.9, 0.00308913/step Wall: 14321.9, 0.00308913/step, 0.355422 hours remaining, 236.648438 MB of memory in use. ENERGY: 4585800 4067.9458 20695.6599 14422.0905 239.5250 -203483.6052 2585.4540 0.0000 0.0000 52153.6991 -109319.2311 299.7280 -161472.9301 -108952.1744 299.5317 -127.4501 -99.3393 764029.9653 0.6385 0.6338 PRESSURE: 4586000 -29.1995 -87.5337 -158.218 -87.5342 276.164 10.6837 -158.219 10.6844 340.459 GPRESSURE: 4586000 46.1563 -42.9584 -181.791 -175.825 314.92 56.5781 -30.0439 129.342 298.601 PRESSAVG: 4586000 19.2747 -20.3269 -52.9082 -20.3268 -25.6482 -18.1801 -52.9082 -18.1801 26.9683 GPRESSAVG: 4586000 20.6824 -17.0097 -52.4866 -20.687 -25.7846 -16.7868 -52.071 -17.4263 26.1099 TIMING: 4586000 CPU: 14322.6, 0.00310042/step Wall: 14322.6, 0.00310042/step, 0.356548 hours remaining, 236.648438 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: 4586000 4016.4270 20855.6577 14350.8121 233.1338 -203360.7546 2714.9311 0.0000 0.0000 51977.3180 -109212.4749 298.7144 -161189.7929 -108851.9824 299.3259 195.8080 219.8926 761271.6762 6.8649 7.0026 PRESSURE: 4586200 -12.093 -136.585 -53.2804 -136.584 -47.7718 -72.501 -53.2801 -72.5003 322.543 GPRESSURE: 4586200 53.2404 -211.695 -104.987 -38.9689 37.3377 -29.5115 30.2304 48.8063 258.045 PRESSAVG: 4586200 -12.1102 -29.9045 -20.9901 -29.9046 -9.215 7.96153 -20.99 7.96155 -7.63105 GPRESSAVG: 4586200 -13.016 -33.2714 -20.7897 -30.716 -7.91918 9.16779 -19.3992 6.29718 -8.11491 TIMING: 4586200 CPU: 14323.2, 0.00309572/step Wall: 14323.2, 0.00309572/step, 0.355836 hours remaining, 236.648438 MB of memory in use. ENERGY: 4586200 3968.4913 20543.0424 14418.1483 246.9096 -203139.3645 2650.9557 0.0000 0.0000 51943.7957 -109368.0215 298.5217 -161311.8172 -108992.9631 299.1939 87.5594 116.2076 762275.2637 -9.6521 -9.6834 PRESSURE: 4586400 257.811 -77.5166 11.6023 -77.5168 3.68202 -219.573 11.6024 -219.573 -29.8719 GPRESSURE: 4586400 263.267 -87.8178 91.1073 -103.382 95.1793 -198.757 -141.615 -167.414 -32.73 PRESSAVG: 4586400 -22.9825 -40.5492 -8.26381 -40.5492 19.1303 26.3692 -8.26378 26.3691 -6.97913 GPRESSAVG: 4586400 -22.9597 -39.0529 -7.2658 -39.2039 19.0887 25.1829 -10.1642 29.141 -6.59968 TIMING: 4586400 CPU: 14323.8, 0.0031045/step Wall: 14323.8, 0.0031045/step, 0.356672 hours remaining, 236.648438 MB of memory in use. ENERGY: 4586400 4012.4414 20524.4954 14403.5027 240.8059 -203452.6913 2701.5780 0.0000 0.0000 52150.4383 -109419.4296 299.7093 -161569.8679 -109052.5174 299.4086 77.2069 108.5721 761815.8269 -3.6104 -3.4902 PRESSURE: 4586600 85.0846 -327.448 -28.1998 -327.448 -55.6105 -17.93 -28.1994 -17.9299 -10.2738 GPRESSURE: 4586600 101.702 -301.195 110.769 -252.14 -15.4517 -37.4938 -9.90144 -97.5923 34.0491 PRESSAVG: 4586600 -69.5529 -64.2073 17.9673 -64.2072 49.401 -5.38144 17.9674 -5.38137 23.6021 GPRESSAVG: 4586600 -69.1878 -64.772 17.2918 -63.2066 49.5045 -3.73606 19.474 -7.94331 23.806 TIMING: 4586600 CPU: 14324.4, 0.00309036/step Wall: 14324.4, 0.00309036/step, 0.354877 hours remaining, 236.648438 MB of memory in use. ENERGY: 4586600 3997.6118 20503.3977 14335.8209 246.3940 -203332.7456 2825.1770 0.0000 0.0000 52005.5307 -109418.8135 298.8765 -161424.3442 -109060.1191 298.9552 6.4001 40.0998 762162.1678 1.1501 1.3743 PRESSURE: 4586800 91.3621 72.5278 118.641 72.5274 94.4746 -91.8001 118.641 -91.8004 -232.467 GPRESSURE: 4586800 103.56 49.5034 111.811 -102.907 137.902 -13.8007 115.193 -45.9372 -200.244 PRESSAVG: 4586800 1.47596 -88.6246 32.1157 -88.6246 -19.8021 -29.9287 32.1157 -29.9287 -8.12335 GPRESSAVG: 4586800 1.29462 -86.0072 31.7724 -92.7551 -19.4162 -32.6378 30.7211 -28.8135 -8.47785 TIMING: 4586800 CPU: 14325, 0.00310601/step Wall: 14325, 0.00310601/step, 0.356501 hours remaining, 236.648438 MB of memory in use. ENERGY: 4586800 3995.1882 20535.4807 14384.2613 249.9519 -203413.4552 2768.2456 0.0000 0.0000 52110.5239 -109369.8035 299.4799 -161480.3275 -109012.6698 299.7019 -15.5436 13.7394 762760.4251 -8.8165 -8.8665 PRESSURE: 4587000 133.051 -260.532 127.124 -260.531 205.323 33.3602 127.124 33.36 12.993 GPRESSURE: 4587000 242.44 -124.517 78.1677 -107.762 131.68 12.966 164.484 -3.01694 51.9702 PRESSAVG: 4587000 0.445319 -49.9151 6.93864 -49.9152 20.1964 38.8862 6.93867 38.8861 -26.448 GPRESSAVG: 4587000 0.598639 -50.4108 8.62014 -46.9379 19.48 40.375 10.246 38.9704 -26.0879 TIMING: 4587000 CPU: 14325.7, 0.00309873/step Wall: 14325.7, 0.00309873/step, 0.355493 hours remaining, 236.648438 MB of memory in use. ENERGY: 4587000 3987.0900 20596.6898 14413.9651 239.4839 -203249.7833 2586.1162 0.0000 0.0000 52085.3783 -109341.0601 299.3354 -161426.4384 -108986.6768 299.2783 117.1225 142.0303 762655.3780 -1.9354 -2.0031 PRESSURE: 4587200 176.829 -50.2217 -40.9607 -50.2215 106.612 202.422 -40.9601 202.424 -18.5078 GPRESSURE: 4587200 198.483 65.8739 -121.802 -69.513 131.208 171.165 107.946 128.075 37.5805 PRESSAVG: 4587200 -3.93698 -79.4845 -34.4774 -79.4846 30.3747 40.6471 -34.4774 40.6471 -18.0078 GPRESSAVG: 4587200 -3.21222 -80.3113 -35.2535 -80.1436 29.4101 40.2587 -33.8109 39.4644 -18.1806 TIMING: 4587200 CPU: 14326.3, 0.0031081/step Wall: 14326.3, 0.0031081/step, 0.356396 hours remaining, 236.648438 MB of memory in use. ENERGY: 4587200 3991.0641 20572.0829 14406.6572 243.6285 -202898.1990 2354.4346 0.0000 0.0000 51856.3882 -109473.9435 298.0194 -161330.3317 -109108.5111 299.4034 88.3110 122.4238 762516.0591 2.8100 2.6724 PRESSURE: 4587400 -90.2804 -49.7597 71.7278 -49.7598 -227.933 230.951 71.7282 230.951 20.1075 GPRESSURE: 4587400 -23.2593 -97.2983 -6.04069 61.1834 -140.238 258.166 147.124 107.632 -52.8276 PRESSAVG: 4587400 -40.3806 21.2946 31.6287 21.2946 52.3453 -1.9768 31.6287 -1.97689 -3.22499 GPRESSAVG: 4587400 -41.2627 20.3175 32.8273 22.5482 53.2353 -2.18126 28.6549 -1.23973 -3.22308 TIMING: 4587400 CPU: 14326.9, 0.00309238/step Wall: 14326.9, 0.00309238/step, 0.354422 hours remaining, 236.648438 MB of memory in use. ENERGY: 4587400 3975.0198 20499.7807 14371.2927 255.7264 -203382.8050 2523.5802 0.0000 0.0000 52154.9535 -109602.4517 299.7352 -161757.4053 -109238.2097 298.9399 -99.3686 -72.1084 762335.7945 2.9133 2.9165 PRESSURE: 4587600 -291.283 49.3573 -12.9493 49.3574 -326.739 350.878 -12.9498 350.878 -525.222 GPRESSURE: 4587600 -220.481 -103.819 14.3941 -85.0926 -324.395 354.894 -14.6108 247.819 -497.368 PRESSAVG: 4587600 -16.6992 -44.5569 38.916 -44.5568 -1.14831 -34.1665 38.9159 -34.1665 -15.9578 GPRESSAVG: 4587600 -16.6758 -42.524 36.3664 -46.2259 -1.55634 -34.1134 39.6325 -35.1823 -15.8568 TIMING: 4587600 CPU: 14327.5, 0.00309253/step Wall: 14327.5, 0.00309253/step, 0.354266 hours remaining, 236.648438 MB of memory in use. ENERGY: 4587600 3976.7575 20389.4366 14379.4157 245.5739 -203147.1931 2449.1613 0.0000 0.0000 52077.6905 -109629.1577 299.2912 -161706.8482 -109263.5301 298.9230 -381.0813 -347.4148 764120.9741 -11.2684 -11.3630 PRESSURE: 4587800 -189.621 76.9134 -19.0052 76.913 157.791 -189.135 -19.0056 -189.135 405.888 GPRESSURE: 4587800 -69.7431 4.15234 -17.9166 -7.05931 171.003 -169.067 -86.8805 -88.821 371.766 PRESSAVG: 4587800 -34.0325 -64.4293 -10.2731 -64.4293 65.5784 -13.1253 -10.273 -13.1253 -24.6888 GPRESSAVG: 4587800 -33.3539 -64.036 -8.64355 -63.5194 65.973 -13.2907 -9.00423 -14.0555 -25.3591 TIMING: 4587800 CPU: 14328.1, 0.00309426/step Wall: 14328.1, 0.00309426/step, 0.354293 hours remaining, 236.648438 MB of memory in use. ENERGY: 4587800 3953.0685 20543.5584 14409.2036 247.3639 -203305.7853 2765.6877 0.0000 0.0000 51892.2537 -109494.6495 298.2255 -161386.9032 -109140.1696 298.4244 124.6864 157.6750 762638.6137 2.2857 2.4200 PRESSURE: 4588000 -94.829 -11.9631 -109.824 -11.9628 -388.61 -182.053 -109.824 -182.052 167.654 GPRESSURE: 4588000 -100.794 10.2935 -29.1335 -17.4426 -297.552 -128.991 -124.401 -141.805 183.623 PRESSAVG: 4588000 7.29613 -30.7809 30.1127 -30.781 -31.3007 26.6915 30.1127 26.6915 16.8336 GPRESSAVG: 4588000 5.83905 -31.9711 30.6428 -32.8518 -30.7458 26.8054 27.0136 29.6065 17.1985 TIMING: 4588000 CPU: 14328.8, 0.00309299/step Wall: 14328.8, 0.00309299/step, 0.353975 hours remaining, 236.648438 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: 4588000 4017.7311 20310.6360 14421.7381 269.9376 -202872.2248 2360.8278 0.0000 0.0000 51960.3109 -109531.0434 298.6166 -161491.3543 -109172.4473 298.7510 -105.2619 -71.5743 763748.8627 -2.3903 -2.5694 PRESSURE: 4588200 116.612 -158.29 -34.1062 -158.291 -112.288 -69.7023 -34.1052 -69.7029 92.3405 GPRESSURE: 4588200 93.5298 -87.0014 -16.4076 -57.3821 -33.2398 -102.33 6.90855 -62.077 116.123 PRESSAVG: 4588200 -64.705 -87.7073 -0.113217 -87.7073 17.0703 -34.3277 -0.113235 -34.3277 7.74438 GPRESSAVG: 4588200 -64.8316 -86.5791 -0.0700994 -85.252 15.6603 -34.4713 1.62598 -35.2621 8.89439 TIMING: 4588200 CPU: 14329.4, 0.0030923/step Wall: 14329.4, 0.0030923/step, 0.353725 hours remaining, 236.648438 MB of memory in use. ENERGY: 4588200 3955.5765 20418.8177 14384.3101 255.5553 -203414.5802 2721.4153 0.0000 0.0000 52042.2416 -109636.6635 299.0875 -161678.9051 -109282.3626 298.5819 32.2215 58.8043 763240.1064 -13.2968 -13.4256 LDB: ============= START OF LOAD BALANCING ============== 14341.9 LDB: ============== END OF LOAD BALANCING =============== 14341.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14341.9 LDB: ============= START OF LOAD BALANCING ============== 14342.2 LDB: Largest compute 7028 load 0.031459 is 16.1% of average load 0.195283 LDB: Average compute 0.004399 is 2.3% of average load 0.195283 LDB: TIME 14342.2 LOAD: AVG 0.195283 MAX 0.214065 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.059 MB LDB: TIME 14342.2 LOAD: AVG 0.195283 MAX 0.214065 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.059 MB LDB: TIME 14342.2 LOAD: AVG 0.195283 MAX 0.214065 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.059 MB LDB: ============== END OF LOAD BALANCING =============== 14342.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14342.2 PRESSURE: 4588400 478.078 28.6672 56.8476 28.6674 -76.2723 125.356 56.8476 125.357 413.312 GPRESSURE: 4588400 555.031 88.2555 120.668 -39.6879 -40.6435 76.5901 17.6538 96.846 396.095 PRESSAVG: 4588400 9.04854 -24.7397 -8.45422 -24.7397 -19.4269 -4.00232 -8.45421 -4.00229 19.0661 GPRESSAVG: 4588400 11.2232 -24.7446 -8.84907 -25.0697 -19.9232 -2.49641 -9.44013 -5.73425 17.3389 TIMING: 4588400 CPU: 14330, 0.00317284/step Wall: 14330, 0.00317283/step, 0.362761 hours remaining, 234.195312 MB of memory in use. ENERGY: 4588400 3932.5245 20240.3674 14370.7620 246.0357 -203123.3541 2574.6368 0.0000 0.0000 52046.7442 -109712.2835 299.1134 -161759.0277 -109344.0020 298.9212 271.7059 303.4942 761957.3645 2.8959 2.8796 PRESSURE: 4588600 72.4629 8.69422 -5.73049 8.694 241.795 190.075 -5.72972 190.075 218.682 GPRESSURE: 4588600 53.2861 23.6234 -67.9343 -41.6562 306.438 167.65 -64.4619 66.7138 246.418 PRESSAVG: 4588600 9.708 -39.1009 32.9371 -39.1008 -34.7502 -5.82883 32.937 -5.82885 -7.32745 GPRESSAVG: 4588600 8.16187 -39.6911 31.183 -40.193 -34.2103 -6.21841 33.9175 -5.97298 -6.58943 TIMING: 4588600 CPU: 14330.6, 0.00307618/step Wall: 14330.6, 0.00307618/step, 0.351539 hours remaining, 234.457031 MB of memory in use. ENERGY: 4588600 3980.3535 20452.3134 14350.5235 228.9390 -203519.3163 2848.4947 0.0000 0.0000 52157.4232 -109501.2690 299.7494 -161658.6922 -109132.7181 298.4825 177.6467 202.0474 761096.7969 -10.7899 -10.8793 PRESSURE: 4588800 270.082 -143.63 -141.491 -143.629 194.57 -277.773 -141.491 -277.773 -105.022 GPRESSURE: 4588800 293.364 -129.469 -65.4758 -278.394 182.074 -330.165 -139.073 -161.738 -31.5091 PRESSAVG: 4588800 -5.83062 -3.32075 13.7695 -3.32078 22.5834 10.655 13.7695 10.6549 -6.22196 GPRESSAVG: 4588800 -6.09277 -2.27132 15.7987 -2.84462 21.189 11.3956 13.267 11.9001 -5.03681 TIMING: 4588800 CPU: 14331.2, 0.00310169/step Wall: 14331.2, 0.00310169/step, 0.354282 hours remaining, 234.589844 MB of memory in use. ENERGY: 4588800 3971.5708 20574.5573 14368.9104 243.1227 -203453.8534 2873.5397 0.0000 0.0000 52144.1705 -109277.9821 299.6733 -161422.1526 -108920.9155 299.3202 119.8769 147.9764 761078.1554 3.5103 3.3531 PRESSURE: 4589000 280.834 -26.5666 30.9733 -26.5671 322.415 6.66931 30.9734 6.67028 97.5074 GPRESSURE: 4589000 311.17 -75.5177 12.476 -4.02357 338.616 -97.5534 -76.8607 -15.3194 141.066 PRESSAVG: 4589000 -2.35767 -31.8401 -41.8527 -31.8401 -48.6636 -35.5553 -41.8528 -35.5553 -12.0137 GPRESSAVG: 4589000 -3.50568 -34.5245 -42.2333 -31.6965 -46.9698 -35.5038 -41.6246 -38.1754 -12.4682 TIMING: 4589000 CPU: 14331.9, 0.00308999/step Wall: 14331.9, 0.00308999/step, 0.352774 hours remaining, 234.589844 MB of memory in use. ENERGY: 4589000 4031.8107 20442.5615 14446.7679 253.0055 -203580.3470 2978.8015 0.0000 0.0000 52068.5039 -109358.8959 299.2384 -161427.3998 -108992.9272 299.1518 233.5854 263.6173 762047.7446 -21.0116 -20.9812 PRESSURE: 4589200 116.612 -257.632 181.102 -257.632 -237.001 98.1356 181.101 98.1361 -251.658 GPRESSURE: 4589200 145.043 -218.277 187.458 -267.24 -169.769 89.5128 206.022 -13.1596 -271.421 PRESSAVG: 4589200 5.61098 -40.9576 -4.84557 -40.9577 -6.75573 18.9251 -4.8456 18.9251 -16.2287 GPRESSAVG: 4589200 6.48974 -40.0441 -4.63562 -42.4183 -7.84834 17.9471 -5.26352 20.2645 -15.8827 TIMING: 4589200 CPU: 14332.5, 0.0030704/step Wall: 14332.5, 0.0030704/step, 0.350367 hours remaining, 234.589844 MB of memory in use. ENERGY: 4589200 4008.8687 20569.3220 14351.2239 226.3361 -203272.0913 2661.0649 0.0000 0.0000 52116.1905 -109339.0853 299.5125 -161455.2758 -108982.3917 299.1380 -124.0158 -98.7160 762419.5683 -5.7912 -5.7471 PRESSURE: 4589400 92.359 -61.3877 102.023 -61.3879 -93.1768 -35.1666 102.023 -35.1669 -77.6338 GPRESSURE: 4589400 126.37 -6.79746 202.043 7.51999 -30.0483 -79.8883 112.187 -14.5514 -85.0629 PRESSAVG: 4589400 23.0751 -58.6116 -25.8746 -58.6116 -44.1764 58.7038 -25.8746 58.7038 5.10463 GPRESSAVG: 4589400 22.7451 -58.3645 -27.871 -56.6092 -43.0468 57.8363 -26.0896 61.286 4.04464 TIMING: 4589400 CPU: 14333.1, 0.00308176/step Wall: 14333.1, 0.00308176/step, 0.351492 hours remaining, 234.589844 MB of memory in use. ENERGY: 4589400 3985.4861 20476.3997 14397.2299 245.3464 -202915.7579 2509.2054 0.0000 0.0000 51947.3758 -109354.7144 298.5423 -161302.0902 -108990.8499 298.9758 -26.1505 3.7529 761441.9961 -5.3322 -5.4190 PRESSURE: 4589600 -210.986 37.439 -72.5912 37.4384 -10.881 -146.085 -72.5909 -146.085 -228.831 GPRESSURE: 4589600 -100.606 49.7193 -69.7908 -35.2929 -33.9511 -126.178 29.8393 -160.536 -228.085 PRESSAVG: 4589600 -38.0857 -77.6375 3.14745 -77.6375 50.158 -13.212 3.14747 -13.212 3.59511 GPRESSAVG: 4589600 -36.8676 -78.8621 3.06857 -77.6724 47.7754 -10.6394 6.0152 -15.5681 5.03408 TIMING: 4589600 CPU: 14333.7, 0.00308664/step Wall: 14333.7, 0.00308664/step, 0.351877 hours remaining, 234.589844 MB of memory in use. ENERGY: 4589600 3887.8428 20494.4901 14331.5896 243.8187 -203196.3802 2526.7597 0.0000 0.0000 52409.8364 -109302.0429 301.2000 -161711.8793 -108940.1668 299.4220 -150.2326 -120.8805 761128.9847 5.2225 5.3140 PRESSURE: 4589800 8.32949 -134.746 25.8087 -134.746 -195.417 -123.79 25.8093 -123.79 -74.7451 GPRESSURE: 4589800 -7.45239 -73.0359 29.7423 -40.4464 -113.371 -67.2002 21.643 -216.815 -70.4242 PRESSAVG: 4589800 -66.0712 -51.8722 -44.5324 -51.8722 14.0267 12.8191 -44.5323 12.819 -18.0381 GPRESSAVG: 4589800 -66.6604 -50.8325 -43.0549 -53.0747 15.5508 12.1314 -48.4088 13.9584 -18.6882 TIMING: 4589800 CPU: 14334.3, 0.00308015/step Wall: 14334.3, 0.00308015/step, 0.350966 hours remaining, 234.589844 MB of memory in use. ENERGY: 4589800 4068.3010 20652.2665 14290.0739 227.4075 -202990.6698 2537.5957 0.0000 0.0000 51938.8522 -109276.1729 298.4933 -161215.0251 -108924.7709 298.9792 -87.2774 -63.7491 762233.2699 -23.3609 -23.2659 PRESSURE: 4590000 -9.06595 -35.6293 54.9488 -35.6299 -70.1794 -32.5809 54.949 -32.5814 -169.326 GPRESSURE: 4590000 49.0909 46.3688 103.016 -62.7712 -14.1501 -3.2493 -102.447 -37.9645 -194.353 PRESSAVG: 4590000 -22.1188 -84.9715 51.5479 -84.9716 -13.384 12.3199 51.5479 12.32 29.7889 GPRESSAVG: 4590000 -22.1574 -85.2612 52.5267 -83.9904 -12.232 11.8586 52.252 12.4854 28.8326 TIMING: 4590000 CPU: 14334.9, 0.0030983/step Wall: 14334.9, 0.0030983/step, 0.352862 hours remaining, 234.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4590000 3980.5663 20603.8767 14349.3270 229.9942 -203217.2595 2660.0600 0.0000 0.0000 52390.2083 -109003.2271 301.0872 -161393.4354 -108637.8421 299.8542 -82.8572 -53.1373 763092.2502 -1.9046 -1.8523 PRESSURE: 4590200 -63.1698 -245.949 226.824 -245.948 -216.758 2.49225 226.825 2.49252 61.3562 GPRESSURE: 4590200 -87.8191 -261.968 306.018 -240.023 -169.497 -2.24718 163.555 -65.6693 133.63 PRESSAVG: 4590200 -15.5101 -63.818 6.88719 -63.818 12.5121 41.0926 6.8872 41.0927 -11.3626 GPRESSAVG: 4590200 -14.9589 -61.2855 6.45711 -64.956 11.3685 40.7233 8.0221 41.3016 -10.9673 TIMING: 4590200 CPU: 14335.6, 0.00309073/step Wall: 14335.6, 0.00309072/step, 0.351827 hours remaining, 234.589844 MB of memory in use. ENERGY: 4590200 3937.4044 20560.7363 14386.1029 256.9568 -203193.7465 2662.1084 0.0000 0.0000 52264.5419 -109125.8958 300.3650 -161390.4377 -108756.5973 299.8148 -72.8570 -41.2286 763664.1950 -4.7869 -4.8526 PRESSURE: 4590400 -58.6741 103.755 -85.5145 103.755 -207.54 23.5762 -85.5141 23.5755 -266.237 GPRESSURE: 4590400 -57.9403 19.2519 -57.7897 41.2456 -200.825 53.1871 -100.203 69.9798 -185.005 PRESSAVG: 4590400 -28.1904 -72.3507 20.4392 -72.3507 16.3823 16.1388 20.4392 16.1388 -11.8998 GPRESSAVG: 4590400 -28.3307 -73.6819 20.665 -71.7495 16.6408 16.2293 20.5505 15.8777 -11.9999 TIMING: 4590400 CPU: 14336.2, 0.00309195/step Wall: 14336.2, 0.00309196/step, 0.351796 hours remaining, 234.589844 MB of memory in use. ENERGY: 4590400 3945.3469 20615.0323 14396.2820 252.0174 -203136.1700 2688.1108 0.0000 0.0000 52309.6968 -108929.6838 300.6245 -161239.3806 -108557.3792 299.9511 -177.4839 -147.9234 764274.3225 -7.9026 -7.8966 PRESSURE: 4590600 -79.8602 -20.1644 -101.808 -20.1639 266.096 -50.131 -101.807 -50.1304 254.726 GPRESSURE: 4590600 24.165 -67.1021 -151.087 -15.2859 265.026 -64.2761 -81.1286 25.1493 219.864 PRESSAVG: 4590600 3.44238 -25.881 3.06258 -25.881 -8.09536 -61.8448 3.06251 -61.8448 27.5983 GPRESSAVG: 4590600 4.11823 -25.0976 1.65377 -25.4278 -9.60227 -61.9664 1.13487 -62.2531 27.9426 TIMING: 4590600 CPU: 14336.8, 0.00309205/step Wall: 14336.8, 0.00309205/step, 0.351634 hours remaining, 234.589844 MB of memory in use. ENERGY: 4590600 3998.5589 20541.1822 14366.3154 258.6320 -203209.4690 2756.2489 0.0000 0.0000 52073.4198 -109215.1118 299.2667 -161288.5316 -108848.5071 300.2833 146.9876 169.6851 763231.7062 7.6484 7.4862 PRESSURE: 4590800 -72.6219 -305.863 -167.578 -305.863 -210.018 41.8908 -167.577 41.8908 -268.747 GPRESSURE: 4590800 -51.0354 -322.131 -127.664 -341.481 -212.773 3.11083 -136.22 79.3395 -204.189 PRESSAVG: 4590800 18.5362 -72.0104 11.6127 -72.0104 -18.8057 -13.7407 11.6127 -13.7407 19.4929 GPRESSAVG: 4590800 17.434 -73.0823 10.4458 -71.5311 -18.2114 -15.2634 14.0039 -12.2527 20.0623 TIMING: 4590800 CPU: 14337.4, 0.00310561/step Wall: 14337.4, 0.00310561/step, 0.353004 hours remaining, 234.589844 MB of memory in use. ENERGY: 4590800 3950.5724 20818.3352 14387.6084 250.0116 -203231.7157 2545.2394 0.0000 0.0000 52134.6597 -109145.2891 299.6186 -161279.9488 -108785.4193 299.9067 -183.7957 -155.9992 762009.3235 6.4078 6.4283 PRESSURE: 4591000 -367.719 -22.3341 122.439 -22.3339 65.0641 -164.484 122.44 -164.485 46.2437 GPRESSURE: 4591000 -335.816 121.333 118.489 31.9931 69.584 -125.254 161.087 -147.492 95.8777 PRESSAVG: 4591000 -2.3225 -28.773 -3.21686 -28.773 -45.3503 20.9837 -3.21689 20.9836 19.171 GPRESSAVG: 4591000 -0.922702 -28.9866 -1.35893 -27.3893 -44.6441 22.7781 -3.93985 18.8275 17.9885 TIMING: 4591000 CPU: 14338, 0.00308828/step Wall: 14338, 0.00308828/step, 0.350863 hours remaining, 234.589844 MB of memory in use. ENERGY: 4591000 3978.0240 20497.2385 14375.7612 221.1193 -203441.4660 2830.0714 0.0000 0.0000 52416.8129 -109122.4388 301.2401 -161539.2517 -108752.5970 300.0085 -85.4704 -56.7848 761199.2255 -9.5006 -9.1928 PRESSURE: 4591200 -21.0753 21.5949 -99.2577 21.5952 284.261 43.3739 -99.2589 43.3738 -209.185 GPRESSURE: 4591200 -1.12787 -51.9265 -175.612 91.144 307.356 166.767 -33.6969 -24.0915 -173.834 PRESSAVG: 4591200 -35.8583 -1.59079 -34.6289 -1.5907 44.8212 -8.15649 -34.6289 -8.15653 29.0277 GPRESSAVG: 4591200 -35.9834 -0.316032 -34.0945 -3.78476 44.0909 -8.3498 -35.5675 -5.55678 29.1908 TIMING: 4591200 CPU: 14338.7, 0.0030831/step Wall: 14338.7, 0.0030831/step, 0.350103 hours remaining, 234.589844 MB of memory in use. ENERGY: 4591200 4043.1231 20586.4896 14439.1299 247.6165 -202749.9279 2333.1127 0.0000 0.0000 52172.4033 -108928.0529 299.8355 -161100.4562 -108559.5262 300.2613 18.0001 44.1312 761334.1194 12.6635 12.4328 PRESSURE: 4591400 20.7095 -168.579 -132.787 -168.579 177.745 123.964 -132.787 123.964 174.006 GPRESSURE: 4591400 57.0073 -200.337 -126.563 -125.108 167.087 75.8961 -134.791 208.9 216.982 PRESSAVG: 4591400 -91.5566 -28.0586 -7.95684 -28.0586 45.9744 -17.5704 -7.95689 -17.5703 26.5426 GPRESSAVG: 4591400 -92.4249 -28.0183 -7.96801 -26.7828 45.6043 -18.3372 -7.28385 -17.9555 27.1774 TIMING: 4591400 CPU: 14339.3, 0.00310066/step Wall: 14339.3, 0.00310066/step, 0.351925 hours remaining, 234.589844 MB of memory in use. ENERGY: 4591400 3977.3442 20529.4979 14427.6198 239.0478 -203415.9365 2829.7246 0.0000 0.0000 52432.5499 -108980.1522 301.3306 -161412.7021 -108610.4334 300.3519 124.1534 147.0255 763135.4716 -6.3465 -6.5477 PRESSURE: 4591600 12.8716 27.2265 -85.8306 27.2263 111.634 195.858 -85.8301 195.858 62.8477 GPRESSURE: 4591600 69.385 65.9304 -81.2216 -10.8194 174.589 157.711 -260.717 111.013 48.4985 PRESSAVG: 4591600 -22.8484 -29.6913 -77.104 -29.6913 54.5675 20.1194 -77.104 20.1195 -5.27807 GPRESSAVG: 4591600 -22.412 -28.9143 -76.8507 -30.014 55.3443 22.4697 -76.6895 16.8567 -6.53585 TIMING: 4591600 CPU: 14339.9, 0.00311136/step Wall: 14339.9, 0.00311136/step, 0.352967 hours remaining, 234.589844 MB of memory in use. ENERGY: 4591600 3983.8211 20391.2090 14406.3604 271.8916 -203194.0504 2765.9575 0.0000 0.0000 52228.1146 -109146.6963 300.1557 -161374.8108 -108783.1304 299.9856 62.4509 97.4907 764350.2064 8.8137 8.7988 PRESSURE: 4591800 1.84833 63.24 90.1779 63.2398 254.094 51.2009 90.1785 51.2015 -173.011 GPRESSURE: 4591800 53.6621 56.9268 29.6389 82.7598 240.383 75.38 170.497 148.899 -131.114 PRESSAVG: 4591800 -64.8408 30.6749 -23.3039 30.6749 20.0171 40.9356 -23.3039 40.9356 22.5988 GPRESSAVG: 4591800 -64.7361 27.0889 -24.5721 30.5229 19.7499 38.8869 -22.5144 42.2908 23.0676 TIMING: 4591800 CPU: 14340.5, 0.00309162/step Wall: 14340.5, 0.00309163/step, 0.350556 hours remaining, 234.589844 MB of memory in use. ENERGY: 4591800 3957.7985 20496.4634 14373.0410 242.7269 -203332.1141 2624.6564 0.0000 0.0000 52413.6093 -109223.8185 301.2217 -161637.4278 -108863.4282 299.8701 27.6438 54.3102 761663.8055 -7.4083 -7.3062 PRESSURE: 4592000 -67.5534 55.2767 -56.6169 55.277 -154.176 233.2 -56.6167 233.201 -198.615 GPRESSURE: 4592000 71.5621 119.169 -34.4404 65.4806 -129.957 187.45 -32.9434 265.122 -247.777 PRESSAVG: 4592000 -18.1671 -6.80498 26.2266 -6.80502 38.8049 71.0432 26.2267 71.0431 -11.9493 GPRESSAVG: 4592000 -17.5813 -6.07933 29.0889 -7.83655 38.4473 72.0377 23.7896 71.5625 -12.0528 TIMING: 4592000 CPU: 14341.1, 0.00308611/step Wall: 14341.1, 0.00308611/step, 0.349759 hours remaining, 234.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4592000 4032.0322 20564.3137 14418.9177 262.6260 -203114.5087 2517.4172 0.0000 0.0000 51982.1241 -109337.0780 298.7420 -161319.2020 -108971.9115 299.5530 -140.1148 -102.0573 764197.7759 2.8962 2.9377 PRESSURE: 4592200 112.636 -33.0722 -214.687 -33.0729 22.0266 109.779 -214.687 109.779 14.3334 GPRESSURE: 4592200 191.072 -89.6595 -223.565 82.6614 -21.1487 69.2498 -66.6603 -33.5022 31.9029 PRESSAVG: 4592200 -25.4245 -7.74429 25.86 -7.74438 43.7493 50.4838 25.86 50.4838 27.2726 GPRESSAVG: 4592200 -25.5202 -7.31467 25.2915 -6.08491 43.3099 50.1931 26.5038 47.8818 27.7366 TIMING: 4592200 CPU: 14341.8, 0.00309429/step Wall: 14341.8, 0.00309429/step, 0.350514 hours remaining, 234.589844 MB of memory in use. ENERGY: 4592200 4105.9160 20560.9428 14410.0042 237.8183 -203253.7050 2572.2377 0.0000 0.0000 52086.4992 -109280.2868 299.3418 -161366.7860 -108923.1883 299.2711 49.6652 67.2753 760699.2183 15.1991 15.1754 LDB: ============= START OF LOAD BALANCING ============== 14354.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14354.2 LDB: =============== DONE WITH MIGRATION ================ 14354.2 LDB: ============= START OF LOAD BALANCING ============== 14354.5 LDB: Largest compute 7028 load 0.031238 is 16.0% of average load 0.195426 LDB: Average compute 0.004388 is 2.2% of average load 0.195426 LDB: TIME 14354.5 LOAD: AVG 0.195426 MAX 0.213938 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.234 MB LDB: TIME 14354.5 LOAD: AVG 0.195426 MAX 0.213938 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.312 MB LDB: TIME 14354.5 LOAD: AVG 0.195426 MAX 0.213938 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.312 MB LDB: ============== END OF LOAD BALANCING =============== 14354.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14354.5 PRESSURE: 4592400 -397.726 -179.806 185.885 -179.807 -220.306 342.289 185.884 342.29 -106.133 GPRESSURE: 4592400 -230.534 -173.556 153.997 -177.279 -280.09 236.799 127.602 339.371 -146.12 PRESSAVG: 4592400 -29.4985 -24.5095 33.0783 -24.5094 -33.5067 34.3714 33.0783 34.3714 3.03656 GPRESSAVG: 4592400 -29.7025 -24.5129 33.2151 -27.3645 -33.0347 34.305 33.9291 34.6392 2.71804 TIMING: 4592400 CPU: 14342.4, 0.00314885/step Wall: 14342.4, 0.00314885/step, 0.356519 hours remaining, 234.261719 MB of memory in use. ENERGY: 4592400 4007.3777 20390.2451 14410.0262 238.9301 -202930.3262 2415.1697 0.0000 0.0000 52067.1534 -109401.4240 299.2306 -161468.5774 -109023.7627 299.4329 -241.3882 -218.9148 765071.7885 -19.9895 -20.0064 PRESSURE: 4592600 57.9156 19.159 -117.76 19.1597 112.188 -230.722 -117.761 -230.722 -78.3526 GPRESSURE: 4592600 -15.6769 6.09986 -122.467 -6.9418 193.749 -113.237 -81.3004 -116.115 -13.2135 PRESSAVG: 4592600 -12.4188 -4.73721 -5.06365 -4.73724 12.9195 6.15078 -5.06371 6.1508 -3.37146 GPRESSAVG: 4592600 -12.7829 -4.68732 -6.49734 -1.26586 11.9445 7.31539 -4.01192 7.45742 -2.38525 TIMING: 4592600 CPU: 14343, 0.00308606/step Wall: 14343, 0.00308606/step, 0.349239 hours remaining, 234.261719 MB of memory in use. ENERGY: 4592600 3954.6568 20369.7002 14452.1559 254.9030 -203498.7934 2880.9324 0.0000 0.0000 52119.0029 -109467.4422 299.5286 -161586.4452 -109110.3993 298.8047 30.5835 54.9530 763736.7514 -0.9569 -1.0746 PRESSURE: 4592800 -14.3129 9.17663 370.569 9.1776 201.355 -106.442 370.569 -106.443 -36.4379 GPRESSURE: 4592800 13.3055 -20.4416 430.837 -108.273 264.435 -80.7979 261.18 -24.5197 -26.2852 PRESSAVG: 4592800 -28.3172 -1.80183 4.13988 -1.8018 44.9196 20.8202 4.13981 20.8201 -0.00403872 GPRESSAVG: 4592800 -27.8177 -1.70713 6.6024 -4.10105 45.3944 20.6362 2.29552 21.0787 -0.748554 TIMING: 4592800 CPU: 14343.6, 0.00309146/step Wall: 14343.6, 0.00309146/step, 0.349679 hours remaining, 234.250000 MB of memory in use. ENERGY: 4592800 3922.2154 20582.5080 14450.7102 233.4934 -202953.5682 2493.4795 0.0000 0.0000 52141.8353 -109129.3265 299.6598 -161271.1618 -108773.8850 299.0749 50.2014 83.8185 762897.4881 5.5328 5.6094 PRESSURE: 4593000 -387.638 -39.1698 -170.255 -39.1696 113.99 -50.3929 -170.255 -50.3933 -23.7937 GPRESSURE: 4593000 -357.575 -101.703 -125.862 -65.6886 101.914 46.1023 -223.132 -185.335 51.0776 PRESSAVG: 4593000 2.81764 23.3332 6.58062 23.3332 25.4268 -4.58419 6.58072 -4.58416 17.7914 GPRESSAVG: 4593000 2.46294 22.5061 5.33577 22.8814 26.8143 -7.61372 7.2749 -2.43522 17.2566 TIMING: 4593000 CPU: 14344.2, 0.00309402/step Wall: 14344.2, 0.00309402/step, 0.349796 hours remaining, 234.464844 MB of memory in use. ENERGY: 4593000 4014.9788 20520.0028 14353.5371 251.9437 -203287.2074 2698.8430 0.0000 0.0000 52168.2424 -109279.6594 299.8116 -161447.9019 -108919.9744 299.7829 -99.1472 -68.1944 762211.6403 15.3453 15.5113 PRESSURE: 4593200 -254.478 40.3835 17.4709 40.384 300.496 85.9996 17.4709 86.0008 -179.958 GPRESSURE: 4593200 -190.017 24.5404 54.4943 43.5184 272.531 69.529 -29.797 42.273 -146.931 PRESSAVG: 4593200 -51.5717 2.30322 -18.4728 2.30324 27.3227 -64.5099 -18.4729 -64.5099 -13.2216 GPRESSAVG: 4593200 -50.1187 3.3207 -18.9606 5.76034 25.3499 -61.7422 -17.6472 -66.6381 -12.9158 TIMING: 4593200 CPU: 14344.9, 0.00308038/step Wall: 14344.9, 0.00308038/step, 0.348083 hours remaining, 234.464844 MB of memory in use. ENERGY: 4593200 3951.2055 20579.0569 14382.6128 252.7372 -203229.6363 2608.8156 0.0000 0.0000 52283.3406 -109171.8676 300.4731 -161455.2082 -108809.8339 299.5205 -44.6466 -21.4722 762755.7347 -12.4902 -12.5616 PRESSURE: 4593400 -133.304 73.2916 -127.634 73.292 -130.284 -132.213 -127.633 -132.212 -186.564 GPRESSURE: 4593400 -196.195 29.8711 -137.59 64.9305 -55.2831 -74.5654 -195.654 -224.651 -133.85 PRESSAVG: 4593400 -41.8248 -26.4564 -30.9995 -26.4564 26.4454 4.70033 -30.9995 4.70039 11.2102 GPRESSAVG: 4593400 -42.3812 -29.5925 -31.0968 -27.7946 26.7559 2.74635 -32.4283 5.11385 11.2289 TIMING: 4593400 CPU: 14345.5, 0.00307604/step Wall: 14345.5, 0.00307604/step, 0.347422 hours remaining, 234.464844 MB of memory in use. ENERGY: 4593400 3908.5696 20470.4384 14375.8244 264.5064 -202923.2856 2646.0946 0.0000 0.0000 52170.2543 -109087.5979 299.8232 -161257.8522 -108725.6783 299.6524 -150.0506 -128.4427 763180.7443 -1.3897 -1.4655 PRESSURE: 4593600 -194.863 64.659 58.0456 64.6589 -9.34474 69.7633 58.0463 69.7644 24.8303 GPRESSURE: 4593600 -48.1325 28.0589 54.3879 88.7619 -15.0268 54.5211 53.9812 150.789 -5.57689 PRESSAVG: 4593600 -59.3206 1.34822 -10.1456 1.34823 70.4482 -34.8646 -10.1455 -34.8644 -18.7412 GPRESSAVG: 4593600 -60.3053 3.46485 -9.82833 0.156439 71.0868 -33.1576 -7.56518 -36.2977 -17.969 TIMING: 4593600 CPU: 14346.1, 0.00308858/step Wall: 14346.1, 0.00308858/step, 0.348666 hours remaining, 234.464844 MB of memory in use. ENERGY: 4593600 3976.2051 20490.2721 14374.4911 240.9143 -203379.1651 2908.2576 0.0000 0.0000 52527.9967 -108861.0281 301.8791 -161389.0248 -108499.4505 300.1758 -59.7924 -22.9121 763408.5954 -2.5379 -2.3958 PRESSURE: 4593800 40.6868 -80.743 185.741 -80.7432 -44.6396 -209.633 185.741 -209.633 -513.089 GPRESSURE: 4593800 67.6789 -37.6349 246.807 110.492 24.9186 -284.803 129.444 -69.6063 -513.079 PRESSAVG: 4593800 -61.1795 -26.1605 10.8772 -26.1606 43.7937 -35.2653 10.8772 -35.2653 -9.15114 GPRESSAVG: 4593800 -58.7603 -25.2444 12.0769 -27.7387 42.4019 -35.3964 8.57979 -34.7253 -9.65122 TIMING: 4593800 CPU: 14346.7, 0.00309535/step Wall: 14346.7, 0.00309535/step, 0.349259 hours remaining, 234.464844 MB of memory in use. ENERGY: 4593800 4033.8233 20419.7635 14419.5287 223.9117 -203017.9450 2533.1724 0.0000 0.0000 52439.8816 -108947.8638 301.3727 -161387.7454 -108584.1551 300.3969 -172.3473 -140.1604 763588.4893 -8.8457 -8.6699 PRESSURE: 4594000 -174.894 -229.361 44.8207 -229.361 -45.1656 51.2027 44.8206 51.2019 248.273 GPRESSURE: 4594000 -192.863 -268.787 11.0085 -240.785 115.217 39.1373 137.96 79.897 210.429 PRESSAVG: 4594000 -56.1267 -20.1067 43.8837 -20.1067 8.01064 -1.46983 43.8838 -1.46979 0.143619 GPRESSAVG: 4594000 -57.9943 -20.0945 43.4174 -17.1757 10.3377 -1.45618 43.9507 -0.581524 -0.462413 TIMING: 4594000 CPU: 14347.3, 0.00309871/step Wall: 14347.3, 0.00309871/step, 0.349466 hours remaining, 234.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4594000 3945.6200 20552.9083 14425.8679 256.2603 -203154.5578 2789.5005 0.0000 0.0000 52096.4204 -109087.9805 299.3988 -161184.4008 -108723.6583 300.1926 9.4042 44.2610 763617.5107 -15.9908 -16.0397 PRESSURE: 4594200 -84.0107 -257.66 8.09599 -257.66 -79.5122 -0.026648 8.09697 -0.0267524 -95.9045 GPRESSURE: 4594200 -66.6369 -181.271 11.9763 -264.587 -130.423 -4.71599 -48.4512 -27.3641 -3.81864 PRESSAVG: 4594200 -54.9127 3.40478 -45.3341 3.40476 64.105 0.519203 -45.334 0.519208 0.42322 GPRESSAVG: 4594200 -54.5002 4.69919 -44.8645 0.700459 62.0051 1.12905 -45.6749 -1.88367 1.84128 TIMING: 4594200 CPU: 14347.9, 0.00312023/step Wall: 14347.9, 0.00312023/step, 0.351719 hours remaining, 234.464844 MB of memory in use. ENERGY: 4594200 4034.7205 20591.6363 14473.4183 245.0167 -202860.8825 2324.4206 0.0000 0.0000 52149.7436 -109041.9265 299.7053 -161191.6701 -108675.5034 300.3609 -86.4758 -66.9594 763241.8533 3.2052 3.1154 PRESSURE: 4594400 -359.832 104.178 135.391 104.178 -228.017 -5.31359 135.391 -5.31309 -143.271 GPRESSURE: 4594400 -253.199 26.0132 149.17 51.0747 -233.612 -84.8617 143.052 64.2725 -154.66 PRESSAVG: 4594400 -69.1884 -25.4737 0.508067 -25.4737 35.8734 21.8233 0.508085 21.8234 -4.00385 GPRESSAVG: 4594400 -68.9159 -28.5769 -0.0969658 -22.7096 35.6766 21.4776 0.551698 24.4032 -4.17962 TIMING: 4594400 CPU: 14348.6, 0.00310392/step Wall: 14348.6, 0.00310392/step, 0.349709 hours remaining, 234.453125 MB of memory in use. ENERGY: 4594400 4055.8860 20479.7301 14411.0310 241.3942 -203049.2490 2479.2007 0.0000 0.0000 52069.8923 -109312.1147 299.2464 -161382.0070 -108954.2029 299.5124 -243.7064 -213.8235 762331.7185 -12.4396 -12.4730 PRESSURE: 4594600 -319.536 293.8 -190.14 293.799 -237.69 48.2569 -190.141 48.2568 -338.821 GPRESSURE: 4594600 -257.033 192.129 -87.7548 194.173 -241.449 -73.6284 -127.665 108.751 -317.408 PRESSAVG: 4594600 -18.5908 17.2501 -9.02459 17.2502 42.6958 61.8896 -9.02455 61.8897 -7.41334 GPRESSAVG: 4594600 -19.8327 18.4187 -8.54187 15.3032 44.218 60.6942 -9.31248 62.3509 -7.51268 TIMING: 4594600 CPU: 14349.2, 0.00308026/step Wall: 14349.2, 0.00308026/step, 0.346872 hours remaining, 234.453125 MB of memory in use. ENERGY: 4594600 4058.9274 20617.8938 14463.1193 244.7928 -203140.8526 2497.6784 0.0000 0.0000 51852.9542 -109405.4867 297.9996 -161258.4409 -109046.0804 299.0181 -298.6823 -271.9635 762294.4305 5.5639 5.6242 PRESSURE: 4594800 -124.12 -232.455 118.096 -232.455 -142.283 188.454 118.095 188.455 -202.746 GPRESSURE: 4594800 -84.0773 -102.291 151.28 -271.981 -79.562 177.116 62.3496 197.85 -229.841 PRESSAVG: 4594800 -0.113016 14.3202 17.0749 14.3201 20.3914 16.6188 17.0749 16.6188 42.6337 GPRESSAVG: 4594800 1.14194 16.9412 14.2848 15.2202 20.5594 18.1579 17.6806 13.9324 41.5053 TIMING: 4594800 CPU: 14349.8, 0.00309105/step Wall: 14349.8, 0.00309105/step, 0.347915 hours remaining, 234.453125 MB of memory in use. ENERGY: 4594800 3942.4237 20567.9914 14423.7297 245.9389 -203385.4797 2618.0009 0.0000 0.0000 52259.6408 -109327.7544 300.3369 -161587.3952 -108960.4760 299.3130 -156.3831 -131.1602 760473.3165 20.9707 21.0689 PRESSURE: 4595000 59.5462 -35.9761 -81.9292 -35.9768 159.144 -26.0923 -81.9289 -26.0927 78.2521 GPRESSURE: 4595000 59.6305 -43.2867 -64.2449 -118.43 298.997 -13.0188 -75.1322 -30.2261 18.5299 PRESSAVG: 4595000 -38.8638 18.0999 -5.35699 18.0999 14.7873 46.1186 -5.35703 46.1186 3.27101 GPRESSAVG: 4595000 -39.3372 16.7004 -3.80677 17.1069 14.4008 43.5262 -7.31295 49.2119 4.28558 TIMING: 4595000 CPU: 14350.4, 0.00309577/step Wall: 14350.4, 0.00309577/step, 0.348275 hours remaining, 234.464844 MB of memory in use. ENERGY: 4595000 3990.3691 20510.6287 14454.0378 256.0007 -203514.1152 2655.7824 0.0000 0.0000 52233.3402 -109413.9562 300.1857 -161647.2965 -109049.3238 299.5324 98.9809 125.7190 761574.9218 -6.9352 -6.8836 PRESSURE: 4595200 -309.505 10.0911 -137.539 10.0909 -72.4955 78.2696 -137.54 78.2695 154.15 GPRESSURE: 4595200 -231.375 48.1067 -95.5198 -162.774 12.1791 136.023 -105.756 90.7345 100.43 PRESSAVG: 4595200 5.76494 -23.6622 23.1973 -23.6622 22.1408 54.4327 23.1973 54.4326 3.61349 GPRESSAVG: 4595200 6.27295 -24.1864 23.4589 -22.1899 22.1985 54.7699 23.456 53.9969 2.87854 TIMING: 4595200 CPU: 14351, 0.0030917/step Wall: 14351, 0.0030917/step, 0.347644 hours remaining, 234.464844 MB of memory in use. ENERGY: 4595200 3940.5952 20458.1318 14300.4623 260.5288 -203446.6983 2696.7575 0.0000 0.0000 52341.3987 -109448.8240 300.8067 -161790.2227 -109072.6282 299.5816 -75.9502 -39.5887 763223.8494 10.5064 10.4500 PRESSURE: 4595400 -57.6759 -45.3076 -0.23324 -45.3078 -158.785 -56.2684 -0.233179 -56.2689 -364.273 GPRESSURE: 4595400 -107.183 -46.6195 8.94146 80.9906 -114.094 -17.1372 -49.9879 -35.6223 -295.158 PRESSAVG: 4595400 -89.6544 -6.18618 14.1564 -6.18622 76.4684 -25.4261 14.1564 -25.4261 -16.8867 GPRESSAVG: 4595400 -90.2833 -6.18985 13.2367 -5.9613 76.5675 -23.6664 15.5266 -26.0198 -16.3258 TIMING: 4595400 CPU: 14351.7, 0.00310736/step Wall: 14351.7, 0.00310736/step, 0.349233 hours remaining, 234.464844 MB of memory in use. ENERGY: 4595400 4069.4254 20653.3349 14435.7783 257.4608 -203675.7608 2574.8972 0.0000 0.0000 52085.3075 -109599.5567 299.3350 -161684.8642 -109234.8350 299.1712 -193.5783 -172.1450 762063.6655 -10.0242 -10.0139 PRESSURE: 4595600 -341.383 -355.821 -201.795 -355.821 -613.722 -174.303 -201.795 -174.303 -225.706 GPRESSURE: 4595600 -306.517 -301.621 -180.857 -318.883 -561.728 -231.819 -164.395 -100.861 -243.271 PRESSAVG: 4595600 -36.1995 -12.7623 -7.78988 -12.7622 51.7369 37.9052 -7.7899 37.9052 -18.3263 GPRESSAVG: 4595600 -35.9733 -13.1379 -7.91906 -11.7075 51.1343 37.633 -7.34031 36.9857 -17.8474 TIMING: 4595600 CPU: 14352.3, 0.00310099/step Wall: 14352.3, 0.00310099/step, 0.348345 hours remaining, 234.464844 MB of memory in use. ENERGY: 4595600 4027.1569 20494.8490 14373.7285 244.2705 -202865.7457 2275.7410 0.0000 0.0000 51900.4667 -109549.5331 298.2727 -161449.9998 -109175.3800 299.0711 -393.6036 -370.5054 764249.4042 -0.9296 -0.8955 PRESSURE: 4595800 -264.269 39.7169 -120.044 39.7168 169.955 -232.837 -120.044 -232.837 -129.512 GPRESSURE: 4595800 -261.214 60.2468 -117.272 23.2644 219.022 -240.242 -226.075 -151.62 -95.0707 PRESSAVG: 4595800 45.7639 7.19041 -31.1243 7.19041 11.8231 -17.6961 -31.1243 -17.6962 24.9514 GPRESSAVG: 4595800 45.7129 8.67449 -32.5919 8.40808 11.8616 -18.3396 -29.551 -14.4152 24.7718 TIMING: 4595800 CPU: 14352.9, 0.00312378/step Wall: 14352.9, 0.00312378/step, 0.350731 hours remaining, 234.464844 MB of memory in use. ENERGY: 4595800 4025.7645 20560.7807 14383.7903 258.0817 -203284.7193 2335.7229 0.0000 0.0000 52040.1894 -109680.3898 299.0757 -161720.5792 -109311.7162 298.8394 -74.6090 -45.7541 761478.4685 27.5128 27.4488 PRESSURE: 4596000 -146.84 106.55 -1.03315 106.55 26.638 82.617 -1.03375 82.617 -207.709 GPRESSURE: 4596000 -91.0597 152.412 7.35516 237.042 57.3786 64.2756 86.6058 -7.73147 -201.029 PRESSAVG: 4596000 -62.1575 -33.7178 -36.6948 -33.7178 56.8945 -31.8082 -36.6948 -31.8082 -33.7811 GPRESSAVG: 4596000 -62.678 -34.2057 -34.0296 -36.5616 57.7078 -30.9595 -39.7071 -32.7186 -33.7896 TIMING: 4596000 CPU: 14353.5, 0.0031195/step Wall: 14353.5, 0.0031195/step, 0.350077 hours remaining, 234.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4596000 3984.7715 20465.9841 14439.0862 255.6308 -203665.6408 2643.7173 0.0000 0.0000 52063.2041 -109813.2468 299.2079 -161876.4509 -109444.5173 298.5124 -109.3035 -78.2367 762247.4355 -13.0147 -12.9199 PRESSURE: 4596200 -317.667 -17.5643 130.749 -17.5648 -251.996 446.805 130.749 446.805 125.221 GPRESSURE: 4596200 -253.486 48.8013 118.641 -49.0917 -160.964 305.14 48.0564 443.334 47.4164 PRESSAVG: 4596200 -0.176707 -7.71958 -3.00564 -7.71954 10.6458 20.6299 -3.00563 20.6299 -3.99777 GPRESSAVG: 4596200 2.73016 -6.04043 -5.05019 -8.13805 10.3014 20.3616 -1.1263 20.0057 -6.03951 TIMING: 4596200 CPU: 14354.2, 0.00311556/step Wall: 14354.2, 0.00311557/step, 0.349463 hours remaining, 234.464844 MB of memory in use. ENERGY: 4596200 4020.3348 20498.2892 14496.3665 255.7907 -203088.3319 2526.7583 0.0000 0.0000 51830.0702 -109460.7221 297.8681 -161290.7924 -109105.8826 299.3327 -148.1472 -122.3443 763127.5738 2.1571 2.3307 LDB: ============= START OF LOAD BALANCING ============== 14366.6 LDB: ============== END OF LOAD BALANCING =============== 14366.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14366.6 LDB: ============= START OF LOAD BALANCING ============== 14366.9 LDB: Largest compute 7077 load 0.031237 is 16.0% of average load 0.195355 LDB: Average compute 0.004384 is 2.2% of average load 0.195355 LDB: TIME 14366.9 LOAD: AVG 0.195355 MAX 0.215389 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.543 MB LDB: TIME 14366.9 LOAD: AVG 0.195355 MAX 0.215389 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.543 MB LDB: TIME 14366.9 LOAD: AVG 0.195355 MAX 0.215389 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.543 MB LDB: ============== END OF LOAD BALANCING =============== 14366.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14367 PRESSURE: 4596400 118.409 165.46 -180.699 165.459 -19.0198 -238.177 -180.699 -238.177 -61.9222 GPRESSURE: 4596400 104.486 127.306 -120.302 101.836 1.93105 -267.985 -141.037 -149.586 -7.20877 PRESSAVG: 4596400 -16.1806 10.6039 32.8544 10.6039 5.2471 -16.4983 32.8543 -16.4983 -3.73249 GPRESSAVG: 4596400 -18.3818 8.11249 34.2954 12.4635 6.12886 -16.9743 32.2282 -17.5725 -2.45152 TIMING: 4596400 CPU: 14354.8, 0.00317811/step Wall: 14354.8, 0.00317811/step, 0.356302 hours remaining, 235.031250 MB of memory in use. ENERGY: 4596400 4009.9803 20514.8556 14426.6507 234.8655 -203382.2698 2645.9032 0.0000 0.0000 51988.9160 -109561.0986 298.7810 -161550.0146 -109197.8124 298.7842 12.4890 33.0693 762557.0976 -4.8887 -4.9015 PRESSURE: 4596600 11.8089 -177.79 145.306 -177.789 -228.585 -34.3588 145.305 -34.3599 76.2484 GPRESSURE: 4596600 77.7409 -146.257 143.75 -126.395 -208.26 -7.44275 22.863 32.7588 90.3123 PRESSAVG: 4596600 13.7548 -16.4088 -4.37994 -16.4088 -11.5224 4.40057 -4.37996 4.40058 27.4637 GPRESSAVG: 4596600 13.497 -15.8681 -4.70447 -15.1496 -12.2981 6.77693 -4.00322 3.63811 28.3204 TIMING: 4596600 CPU: 14355.4, 0.00310509/step Wall: 14355.4, 0.00310509/step, 0.347943 hours remaining, 235.156250 MB of memory in use. ENERGY: 4596600 4038.5831 20556.2558 14418.7860 216.1962 -203235.0447 2558.2638 0.0000 0.0000 52077.5941 -109369.3657 299.2906 -161446.9598 -109004.3238 299.4866 -46.8426 -13.4023 762337.9853 9.8987 9.8398 PRESSURE: 4596800 -291.614 18.0976 -41.135 18.0976 -60.9621 20.4107 -41.1344 20.4106 -20.8894 GPRESSURE: 4596800 -163.851 174.481 -46.8028 16.3308 -145.806 94.4022 -47.7358 -17.4018 32.2819 PRESSAVG: 4596800 6.11763 -36.2435 48.2542 -36.2435 12.4605 -6.24794 48.2542 -6.24802 18.0155 GPRESSAVG: 4596800 7.17449 -37.7944 48.0229 -37.4583 12.1495 -7.48646 46.7922 -6.64185 17.3968 TIMING: 4596800 CPU: 14356, 0.00309459/step Wall: 14356, 0.00309459/step, 0.346594 hours remaining, 235.226562 MB of memory in use. ENERGY: 4596800 3970.0768 20455.2645 14405.2947 237.4325 -203294.9340 2717.0597 0.0000 0.0000 52233.5989 -109276.2068 300.1872 -161509.8057 -108918.9087 299.4163 -124.4884 -92.4585 762444.3970 12.1979 12.2403 PRESSURE: 4597000 -372.181 111.167 -115.871 111.167 -140.979 -66.2267 -115.871 -66.2266 -215.321 GPRESSURE: 4597000 -296.895 -56.6522 -76.3395 149.44 -117.906 17.0297 -152.54 -35.2238 -238.325 PRESSAVG: 4597000 7.49408 -11.278 -63.1135 -11.278 -30.1898 18.4523 -63.1134 18.4522 -17.0572 GPRESSAVG: 4597000 8.06364 -10.413 -61.5716 -9.53735 -29.7199 19.3008 -64.3966 17.9584 -18.1621 TIMING: 4597000 CPU: 14356.6, 0.00308307/step Wall: 14356.6, 0.00308307/step, 0.345133 hours remaining, 235.281250 MB of memory in use. ENERGY: 4597000 3997.0551 20509.4085 14467.5533 229.6755 -202864.4916 2411.4412 0.0000 0.0000 51928.1301 -109321.2279 298.4317 -161249.3580 -108957.3157 299.3454 -242.8268 -217.7085 763265.6807 -13.2510 -13.2728 PRESSURE: 4597200 436.304 81.682 -194.871 81.6816 403.086 174.797 -194.872 174.796 137.736 GPRESSURE: 4597200 406.407 -115.929 -175.949 115.673 399.633 63.5544 -242.176 200.801 241.083 PRESSAVG: 4597200 42.6338 16.8395 -25.2932 16.8395 -1.26519 -25.8766 -25.2932 -25.8766 15.5112 GPRESSAVG: 4597200 41.1201 17.2741 -25.9518 15.0631 -0.444949 -28.7402 -24.0845 -23.0264 16.2935 TIMING: 4597200 CPU: 14357.3, 0.00310534/step Wall: 14357.3, 0.00310534/step, 0.347453 hours remaining, 235.480469 MB of memory in use. ENERGY: 4597200 3906.3298 20448.7419 14491.5850 239.0217 -203589.6560 2991.2225 0.0000 0.0000 52139.5967 -109373.1585 299.6470 -161512.7552 -109006.5268 299.1850 325.7088 349.0407 761574.6776 18.9599 18.9895 PRESSURE: 4597400 -352.283 13.5644 -64.8651 13.5638 28.5204 -114.801 -64.8657 -114.801 -234.622 GPRESSURE: 4597400 -224.917 -36.5299 -90.7696 74.1453 -69.1873 -30.0934 -98.8233 -150.822 -167.579 PRESSAVG: 4597400 37.0132 -14.3711 -17.6024 -14.3712 7.68064 6.91601 -17.6024 6.9161 5.92894 GPRESSAVG: 4597400 37.5431 -13.9553 -17.8385 -13.9708 5.64812 8.64785 -17.5546 3.05689 7.1942 TIMING: 4597400 CPU: 14357.9, 0.00308205/step Wall: 14357.9, 0.00308205/step, 0.344676 hours remaining, 235.480469 MB of memory in use. ENERGY: 4597400 3995.6131 20604.2325 14397.5610 261.2826 -203375.1397 2753.5378 0.0000 0.0000 51920.4103 -109442.5024 298.3873 -161362.9127 -109097.5678 299.2991 -186.1282 -153.8945 764156.4127 16.8743 16.7951 PRESSURE: 4597600 133.482 -41.0227 -42.0349 -41.0216 -38.277 -17.1067 -42.0354 -17.107 49.4673 GPRESSURE: 4597600 135.184 -20.2847 -85.8098 -128.43 3.23096 128.742 -4.25147 125.567 91.0778 PRESSAVG: 4597600 16.121 18.802 -78.9488 18.8021 -35.0315 -3.93554 -78.9488 -3.93552 16.2509 GPRESSAVG: 4597600 15.8373 17.3774 -78.6603 18.7823 -33.7413 -3.34891 -76.414 -1.62117 15.344 TIMING: 4597600 CPU: 14358.5, 0.00309318/step Wall: 14358.5, 0.00309318/step, 0.345749 hours remaining, 235.480469 MB of memory in use. ENERGY: 4597600 4020.3841 20512.1924 14398.7640 245.8187 -203245.7198 2698.9464 0.0000 0.0000 51998.9434 -109370.6708 298.8386 -161369.6143 -109018.6688 298.9981 48.2241 76.4977 763973.9008 -0.8865 -0.8533 PRESSURE: 4597800 256.795 36.7587 126.931 36.7586 324.328 96.2425 126.93 96.2432 107.802 GPRESSURE: 4597800 316.179 27.7392 78.2168 20.6832 296.639 14.111 88.367 111.805 121.901 PRESSAVG: 4597800 -3.09855 -8.65382 -27.9493 -8.65379 -4.83858 9.89531 -27.9493 9.89529 -19.0465 GPRESSAVG: 4597800 -3.0635 -7.7692 -29.3624 -8.82423 -5.28104 9.23485 -29.8888 11.2522 -18.8636 TIMING: 4597800 CPU: 14359.1, 0.00309442/step Wall: 14359.1, 0.00309442/step, 0.345716 hours remaining, 235.480469 MB of memory in use. ENERGY: 4597800 3878.6189 20372.1281 14469.2543 230.2626 -203359.3933 2862.9963 0.0000 0.0000 52193.6736 -109352.4595 299.9578 -161546.1331 -108986.4256 298.8762 229.6417 244.9061 763087.1002 -8.9946 -9.0694 PRESSURE: 4598000 -9.96967 -75.114 56.9489 -75.1137 -226.787 219.078 56.9493 219.079 86.8175 GPRESSURE: 4598000 1.43638 -128.57 13.5651 -24.4461 -171.161 275.624 127.656 188.613 101.743 PRESSAVG: 4598000 28.6647 -55.9271 -7.30807 -55.9271 -51.4718 33.3689 -7.30805 33.369 2.53963 GPRESSAVG: 4598000 28.9765 -54.8321 -5.51813 -55.8016 -51.4612 33.9436 -8.4543 33.2772 1.93288 TIMING: 4598000 CPU: 14359.7, 0.00308208/step Wall: 14359.7, 0.00308208/step, 0.344166 hours remaining, 235.480469 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: 4598000 4013.5245 20361.2233 14416.4114 251.5957 -203195.8557 2708.4455 0.0000 0.0000 52031.6620 -109412.9934 299.0267 -161444.6554 -109056.4468 299.0142 -49.9798 -22.6607 763127.2089 -6.7558 -6.8506 PRESSURE: 4598200 12.3144 -84.4621 30.5629 -84.4618 253.609 175.915 30.5626 175.914 260.229 GPRESSURE: 4598200 154.656 -124.668 62.8662 63.4169 280.712 187.491 -33.1593 181.704 170.29 PRESSAVG: 4598200 -15.7576 -19.9371 48.6333 -19.9372 -1.02458 39.5618 48.6334 39.5619 1.21816 GPRESSAVG: 4598200 -15.7671 -20.789 47.9982 -18.6604 -0.153871 38.2134 48.9781 39.6625 0.513039 TIMING: 4598200 CPU: 14360.4, 0.00310509/step Wall: 14360.4, 0.00310509/step, 0.346563 hours remaining, 235.480469 MB of memory in use. ENERGY: 4598200 3939.3522 20425.2925 14428.4461 241.4793 -203440.0653 2797.5800 0.0000 0.0000 52150.9692 -109456.9461 299.7123 -161607.9152 -109081.6355 298.9531 175.3841 201.8861 762939.0113 -5.1880 -5.1360 PRESSURE: 4598400 16.6636 127.918 -70.3789 127.919 -52.2673 82.158 -70.3785 82.1587 -77.1435 GPRESSURE: 4598400 66.6671 105.27 18.8193 18.9203 -40.0329 82.2008 -35.8788 58.8659 -33.827 PRESSAVG: 4598400 -19.0587 -50.787 22.0799 -50.787 101.404 26.2806 22.0799 26.2806 -0.844727 GPRESSAVG: 4598400 -19.4615 -50.3408 22.9365 -53.9759 101.867 27.1347 23.5887 26.3741 -0.26024 TIMING: 4598400 CPU: 14361, 0.00312066/step Wall: 14361, 0.00312066/step, 0.348127 hours remaining, 235.480469 MB of memory in use. ENERGY: 4598400 4015.1352 20586.5481 14442.1952 242.2257 -203736.2668 2870.6836 0.0000 0.0000 51884.4270 -109695.0520 298.1805 -161579.4790 -109341.1171 298.5720 -37.5824 -2.3976 761239.5132 27.1667 27.3818 PRESSURE: 4598600 -42.2702 54.7369 -96.4852 54.7371 137.294 106.965 -96.4846 106.966 263.271 GPRESSURE: 4598600 5.89623 11.4012 -67.1576 192.034 151.671 102.492 -121.012 -12.4102 285.297 PRESSAVG: 4598600 24.0758 17.0044 10.7058 17.0044 -36.8311 59.4225 10.7059 59.4225 -22.9074 GPRESSAVG: 4598600 24.2289 16.8527 9.2338 19.6589 -36.5773 58.8184 9.39579 58.0657 -23.1557 TIMING: 4598600 CPU: 14361.6, 0.00310819/step Wall: 14361.6, 0.00310819/step, 0.346563 hours remaining, 235.480469 MB of memory in use. ENERGY: 4598600 3957.1728 20370.0482 14369.0886 247.4679 -203375.4398 2820.9757 0.0000 0.0000 52089.2262 -109521.4604 299.3575 -161610.6866 -109155.0616 298.5152 119.4315 147.6212 761453.3019 -11.8876 -11.8347 PRESSURE: 4598800 -256.679 72.2618 27.3376 72.2621 -89.6151 20.6258 27.3372 20.6261 56.4927 GPRESSURE: 4598800 -178.027 -12.407 27.2023 57.1571 -67.1867 30.7517 -71.8488 57.4095 45.0747 PRESSAVG: 4598800 3.083 -32.9299 38.6696 -32.9299 38.7297 31.8806 38.6695 31.8805 4.082 GPRESSAVG: 4598800 2.65796 -33.0557 38.4102 -33.1204 39.0362 32.8177 39.2328 31.8054 4.43071 TIMING: 4598800 CPU: 14362.2, 0.00312617/step Wall: 14362.2, 0.00312617/step, 0.348394 hours remaining, 235.480469 MB of memory in use. ENERGY: 4598800 4044.1622 20460.7523 14341.9457 232.0859 -202985.4054 2502.2691 0.0000 0.0000 52010.0040 -109394.1861 298.9022 -161404.1901 -109037.3643 298.7934 -96.6005 -66.7132 763421.5354 15.2982 15.3749 PRESSURE: 4599000 -281.407 118.158 -125.884 118.158 11.4127 -80.0726 -125.883 -80.0721 -179.293 GPRESSURE: 4599000 -259.502 118.843 -143.342 227.821 88.6849 -108.878 -188.742 -218.719 -172.731 PRESSAVG: 4599000 -36.9657 -22.6457 21.27 -22.6457 -2.15974 16.6466 21.27 16.6465 -18.6426 GPRESSAVG: 4599000 -36.7725 -23.9735 21.1132 -21.6022 -2.61386 13.7459 21.7437 18.7647 -18.3055 TIMING: 4599000 CPU: 14362.9, 0.00312688/step Wall: 14362.9, 0.00312688/step, 0.348299 hours remaining, 235.480469 MB of memory in use. ENERGY: 4599000 3979.6701 20433.1858 14415.9066 228.5941 -203354.3782 2853.4601 0.0000 0.0000 52298.6220 -109144.9396 300.5609 -161443.5616 -108784.9683 299.3004 -149.7623 -114.5162 763982.1931 -19.2560 -19.2306 PRESSURE: 4599200 -137.909 212.346 -64.1623 212.345 75.3044 12.7392 -64.1624 12.7387 -350.347 GPRESSURE: 4599200 -108.984 266.726 -44.509 253.007 102.667 2.7878 -200.364 -31.0284 -327.615 PRESSAVG: 4599200 -20.2214 13.9419 1.45028 13.9419 2.54148 -52.7923 1.45027 -52.7923 -4.61764 GPRESSAVG: 4599200 -20.8304 14.8673 0.72282 13.772 2.0151 -50.354 2.1096 -53.6079 -3.33435 TIMING: 4599200 CPU: 14363.5, 0.00312076/step Wall: 14363.5, 0.00312076/step, 0.347444 hours remaining, 235.480469 MB of memory in use. ENERGY: 4599200 4080.2969 20581.5152 14431.9614 247.4227 -203211.3296 2640.5196 0.0000 0.0000 51873.0865 -109356.5274 298.1153 -161229.6139 -109000.0928 299.3023 -137.6505 -111.3108 762941.8535 -7.4325 -7.3832 PRESSURE: 4599400 83.4479 43.7815 -207.52 43.7817 -212.331 -208.08 -207.52 -208.08 -49.5877 GPRESSURE: 4599400 92.6064 64.057 -273.259 79.9308 -149.803 -168.825 -173.238 -242.257 -43.1925 PRESSAVG: 4599400 -12.3399 -21.6129 -5.29121 -21.6129 27.258 -67.0998 -5.29126 -67.0997 37.4706 GPRESSAVG: 4599400 -11.2133 -21.3668 -5.13022 -22.2806 27.4268 -67.5268 -5.77989 -67.1544 36.1019 TIMING: 4599400 CPU: 14364.1, 0.00308936/step Wall: 14364.1, 0.00308936/step, 0.343777 hours remaining, 235.480469 MB of memory in use. ENERGY: 4599400 3973.1043 20474.8562 14448.1142 255.6177 -203390.9034 2543.9261 0.0000 0.0000 52170.6746 -109524.6103 299.8256 -161695.2849 -109166.3448 299.0655 -59.4901 -33.4629 762549.0726 17.4629 17.4385 PRESSURE: 4599600 120.207 -13.7805 196.728 -13.7807 303.684 27.1101 196.73 27.109 370.42 GPRESSURE: 4599600 144.113 -45.5418 174.857 -61.4237 361.212 25.9406 136.02 -95.4218 384.095 PRESSAVG: 4599600 -36.4992 8.01941 37.6146 8.01936 7.90885 6.756 37.6147 6.75597 10.6303 GPRESSAVG: 4599600 -36.0299 8.47943 37.0249 7.58564 7.29052 8.15284 37.8263 4.56708 11.0241 TIMING: 4599600 CPU: 14364.7, 0.00310749/step Wall: 14364.7, 0.00310749/step, 0.345622 hours remaining, 235.480469 MB of memory in use. ENERGY: 4599600 4033.1951 20634.8425 14408.4849 252.8608 -204008.1731 3097.7719 0.0000 0.0000 51982.6992 -109598.3187 298.7453 -161581.0179 -109242.6554 299.0828 264.7704 296.4737 761680.9904 -5.9867 -5.9051 PRESSURE: 4599800 69.6077 167.727 -122 167.728 50.8109 -309.37 -122 -309.37 -62.7426 GPRESSURE: 4599800 32.9712 223.377 -145.19 161.827 178.421 -276.609 -96.4958 -255.955 -65.2131 PRESSAVG: 4599800 -35.0081 25.0085 39.1296 25.0084 26.7753 -26.9223 39.1296 -26.9224 -6.37264 GPRESSAVG: 4599800 -35.1217 25.7595 40.4158 24.6307 27.1484 -28.2722 38.7421 -26.6399 -6.69178 TIMING: 4599800 CPU: 14365.3, 0.00309851/step Wall: 14365.3, 0.00309851/step, 0.344451 hours remaining, 235.480469 MB of memory in use. ENERGY: 4599800 4040.1661 20451.8353 14434.1309 236.0273 -203693.1731 2893.3082 0.0000 0.0000 51970.1173 -109667.5880 298.6730 -161637.7053 -109314.1440 298.4761 19.2253 48.7262 762056.6283 -4.8685 -4.8884 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 4600000 WRITING COORDINATES TO RESTART FILE AT STEP 4600000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4600000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4600000 178.068 -41.2416 200.759 -41.2415 13.7564 60.8819 200.759 60.8813 212.062 GPRESSURE: 4600000 144.462 65.5926 164.883 -26.9379 29.1025 32.0765 196.109 -7.44377 333.536 PRESSAVG: 4600000 -5.12055 28.1524 24.0898 28.1525 -5.53224 23.9962 24.0898 23.9961 5.29527 GPRESSAVG: 4600000 -5.85361 26.9619 23.7798 28.267 -5.43197 24.069 25.7261 25.7987 5.75419 TIMING: 4600000 CPU: 14366, 0.00320938/step Wall: 14366, 0.00320938/step, 0.356598 hours remaining, 235.480469 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: 4600000 4002.2513 20570.0091 14371.4203 277.8414 -204537.5410 3507.4949 0.0000 0.0000 52063.8037 -109744.7203 299.2114 -161808.5240 -109383.3586 298.4787 134.6289 169.0335 761475.1825 -1.7858 -1.8438 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4600000 PRESSURE: 4600200 -326.167 73.2472 32.0338 73.2478 -477.391 74.5372 32.0333 74.5378 -307.23 GPRESSURE: 4600200 -296.736 160.298 69.543 27.4118 -471.457 20.0615 -15.8632 44.5466 -240.512 PRESSAVG: 4600200 -32.7664 25.3143 30.7045 25.3143 4.82517 34.6221 30.7045 34.6222 1.64374 GPRESSAVG: 4600200 -32.373 26.6737 32.4452 23.1832 4.36068 36.0828 29.2125 32.6633 1.93351 TIMING: 4600200 CPU: 14366.6, 0.00308981/step Wall: 14366.6, 0.00308981/step, 0.343141 hours remaining, 235.480469 MB of memory in use. ENERGY: 4600200 4028.9918 20543.0731 14347.6295 254.9007 -203489.5428 2583.9963 0.0000 0.0000 51935.4347 -109795.5167 298.4737 -161730.9514 -109437.4237 298.5870 -370.2626 -336.2348 764174.9661 -8.7658 -8.6929 LDB: ============= START OF LOAD BALANCING ============== 14379.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14379.1 LDB: =============== DONE WITH MIGRATION ================ 14379.1 LDB: ============= START OF LOAD BALANCING ============== 14379.4 LDB: Largest compute 7037 load 0.031526 is 16.1% of average load 0.195429 LDB: Average compute 0.004388 is 2.2% of average load 0.195429 LDB: TIME 14379.4 LOAD: AVG 0.195429 MAX 0.213915 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.898 MB LDB: TIME 14379.4 LOAD: AVG 0.195429 MAX 0.213915 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.902 MB LDB: TIME 14379.4 LOAD: AVG 0.195429 MAX 0.213915 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.902 MB LDB: ============== END OF LOAD BALANCING =============== 14379.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14379.4 PRESSURE: 4600400 -246.529 -133.872 47.6615 -133.872 -394.54 99.5077 47.6612 99.5066 163.354 GPRESSURE: 4600400 -195.955 -140.923 53.2587 -98.0567 -381.144 35.6663 158.206 188.541 196.376 PRESSAVG: 4600400 47.1687 -23.5698 19.5645 -23.5698 -45.2075 4.95397 19.5645 4.95393 3.37819 GPRESSAVG: 4600400 46.51 -25.3397 18.5743 -20.797 -44.999 3.65146 20.189 8.14635 3.41417 TIMING: 4600400 CPU: 14367.2, 0.00316594/step Wall: 14367.2, 0.00316594/step, 0.35142 hours remaining, 234.570312 MB of memory in use. ENERGY: 4600400 3996.7538 20406.2262 14420.4511 259.2313 -203392.2612 2458.6930 0.0000 0.0000 52070.2365 -109780.6693 299.2484 -161850.9058 -109412.3581 298.5030 -159.2382 -126.9075 762872.5340 1.7798 1.6417 PRESSURE: 4600600 -90.1034 32.5343 -70.1055 32.5338 -48.0501 -107.128 -70.1053 -107.128 -97.7712 GPRESSURE: 4600600 -56.7428 8.28543 -17.671 129.341 -87.5004 -61.7639 -84.0265 -60.3203 -10.9883 PRESSAVG: 4600600 20.2173 -24.1521 8.39134 -24.1521 -16.1182 4.43891 8.39136 4.43886 6.38056 GPRESSAVG: 4600600 18.6608 -24.861 9.81175 -26.3359 -16.4086 4.30427 6.1301 6.74761 7.85621 TIMING: 4600600 CPU: 14367.8, 0.00308486/step Wall: 14367.8, 0.00308486/step, 0.342248 hours remaining, 234.570312 MB of memory in use. ENERGY: 4600600 3960.9879 20634.7223 14439.2132 251.1150 -203570.6016 2535.9835 0.0000 0.0000 52106.9615 -109641.6182 299.4594 -161748.5797 -109277.3466 298.9002 -78.6416 -51.7438 762794.0132 3.4932 3.3695 PRESSURE: 4600800 -236.218 -168.585 60.2121 -168.585 431.451 168.345 60.2125 168.345 -149.306 GPRESSURE: 4600800 -78.766 -118.938 28.2374 -150.271 388.433 161.284 146.011 103.44 -191.05 PRESSAVG: 4600800 95.9076 9.45111 -31.7752 9.45112 -33.9255 37.1843 -31.7752 37.1843 -8.3458 GPRESSAVG: 4600800 98.18 11.295 -33.9776 9.0725 -33.6998 36.3072 -29.3834 33.3167 -10.3871 TIMING: 4600800 CPU: 14368.5, 0.00309855/step Wall: 14368.5, 0.00309855/step, 0.343595 hours remaining, 234.570312 MB of memory in use. ENERGY: 4600800 4015.0474 20570.9304 14454.3723 238.9839 -203626.9838 2773.5535 0.0000 0.0000 52030.6751 -109543.4212 299.0210 -161574.0962 -109181.8980 299.1758 15.3091 39.5391 762162.6240 17.8788 18.0310 PRESSURE: 4601000 -34.8338 29.5185 -76.541 29.5189 381.037 -124.154 -76.5403 -124.154 155.319 GPRESSURE: 4601000 49.7016 44.5361 -111.639 66.6353 410.686 -75.3158 -177.11 -44.1741 116.063 PRESSAVG: 4601000 -77.9879 -0.852753 -33.4536 -0.852768 23.2447 44.0299 -33.4536 44.0299 9.64339 GPRESSAVG: 4601000 -76.7222 -0.88948 -33.7128 0.388856 21.9359 45.2394 -33.7998 45.0985 10.0716 TIMING: 4601000 CPU: 14369.1, 0.00308906/step Wall: 14369.1, 0.00308906/step, 0.342371 hours remaining, 234.695312 MB of memory in use. ENERGY: 4601000 4035.9782 20492.9265 14447.1661 242.5233 -203846.1377 3072.6092 0.0000 0.0000 52126.1830 -109428.7514 299.5699 -161554.9344 -109061.8758 299.1077 167.1741 192.1501 762473.6536 -15.0333 -14.9049 PRESSURE: 4601200 5.17706 -24.1044 -48.4008 -24.1041 -115.97 -139.473 -48.4007 -139.473 -351.469 GPRESSURE: 4601200 27.5411 -45.9695 -32.9843 -52.0022 -123.683 -98.6107 49.9839 -83.535 -289.536 PRESSAVG: 4601200 2.87366 16.6668 -38.1541 16.6668 -0.906741 1.02711 -38.154 1.02712 10.0342 GPRESSAVG: 4601200 0.853854 15.8774 -37.5726 16.1849 0.344168 1.05626 -37.8526 1.65385 11.172 TIMING: 4601200 CPU: 14369.7, 0.00308471/step Wall: 14369.7, 0.00308471/step, 0.341717 hours remaining, 234.898438 MB of memory in use. ENERGY: 4601200 4002.5021 20721.3984 14335.0734 241.3502 -203369.7682 2528.3452 0.0000 0.0000 52084.2847 -109456.8143 299.3291 -161541.0990 -109088.2409 299.2309 -154.0873 -128.5593 764562.7888 4.0004 4.1233 PRESSURE: 4601400 -64.7862 -12.8382 -66.9336 -12.8382 -79.9277 -2.44959 -66.9344 -2.44885 -193.119 GPRESSURE: 4601400 27.0873 29.8084 -142.192 -61.9008 -105.849 30.5184 -255.484 -80.1342 -182.093 PRESSAVG: 4601400 9.16694 19.7448 -5.87163 19.7448 -43.5666 -29.0369 -5.87164 -29.037 -11.9919 GPRESSAVG: 4601400 8.43899 20.5139 -7.24593 19.0479 -42.2121 -28.5243 -5.71933 -30.3518 -12.4738 TIMING: 4601400 CPU: 14370.3, 0.00309133/step Wall: 14370.3, 0.00309133/step, 0.342278 hours remaining, 234.898438 MB of memory in use. ENERGY: 4601400 4041.5737 20520.4717 14370.6926 242.8134 -203454.4956 2800.2092 0.0000 0.0000 52194.6730 -109284.0619 299.9635 -161478.7350 -108933.7366 299.2759 -112.6110 -86.9517 763101.0437 -15.4638 -15.4157 PRESSURE: 4601600 -202.035 73.6765 6.63603 73.6761 -40.7238 -189.347 6.63556 -189.346 -378.744 GPRESSURE: 4601600 -184.011 -36.3437 -43.5331 185.243 2.24973 -229.277 74.0756 -123.646 -353.057 PRESSAVG: 4601600 35.1476 17.1991 -21.5733 17.1992 24.2172 45.3673 -21.5733 45.3672 -5.48169 GPRESSAVG: 4601600 36.7833 16.5446 -20.6984 18.74 23.4219 43.534 -22.947 46.1825 -6.55112 TIMING: 4601600 CPU: 14370.9, 0.00310493/step Wall: 14370.9, 0.00310493/step, 0.343612 hours remaining, 234.898438 MB of memory in use. ENERGY: 4601600 4001.5544 20353.8073 14417.6126 245.0497 -203438.4050 2714.8625 0.0000 0.0000 52330.1768 -109375.3417 300.7422 -161705.5185 -108998.8035 299.4274 -207.1676 -178.2727 763323.8664 17.9611 17.8847 PRESSURE: 4601800 289.708 -69.402 -207.056 -69.4031 -366.094 78.2886 -207.056 78.2882 278.215 GPRESSURE: 4601800 282.191 33.5502 -197.421 -93.1658 -252.899 60.4432 -126.905 -3.62877 246.709 PRESSAVG: 4601800 9.96386 4.78125 -12.1984 4.78122 -27.7753 4.78618 -12.1984 4.78623 6.9571 GPRESSAVG: 4601800 9.17105 7.01807 -11.1724 4.32578 -28.2603 8.14674 -13.447 4.03166 7.57922 TIMING: 4601800 CPU: 14371.6, 0.00309677/step Wall: 14371.6, 0.00309677/step, 0.342537 hours remaining, 234.898438 MB of memory in use. ENERGY: 4601800 4097.4121 20565.8068 14450.4629 241.6811 -203750.9115 2841.1620 0.0000 0.0000 52115.2980 -109439.0886 299.5073 -161554.3865 -109070.2064 299.2847 67.2765 92.0001 761835.1841 -3.6181 -3.8367 PRESSURE: 4602000 -33.0022 -85.7103 -203.211 -85.7099 388.432 277.3 -203.211 277.3 447.502 GPRESSURE: 4602000 38.4938 -137.824 -156.966 -117.364 438.339 203.996 -179.64 251.066 421.579 PRESSAVG: 4602000 -14.4662 12.2774 -8.20267 12.2774 1.40993 -11.7004 -8.20272 -11.7004 0.332671 GPRESSAVG: 4602000 -12.6839 10.6211 -8.27618 12.923 -0.0273335 -12.4084 -6.69466 -14.7504 0.0664262 TIMING: 4602000 CPU: 14372.2, 0.00309977/step Wall: 14372.2, 0.00309977/step, 0.342697 hours remaining, 234.898438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4602000 4015.6716 20566.9787 14402.1738 250.0276 -203630.2232 2863.8995 0.0000 0.0000 51984.0979 -109547.3741 298.7533 -161531.4720 -109192.2689 299.1499 267.6441 299.4706 762054.6850 -4.2412 -4.2149 PRESSURE: 4602200 70.9652 -235.485 -77.6084 -235.485 226.642 -1.42064 -77.6085 -1.42095 251.521 GPRESSURE: 4602200 152.06 -176.18 -112.947 -186.843 237.8 82.1602 -84.7952 -34.595 242.535 PRESSAVG: 4602200 -11.2438 -12.2742 -37.7869 -12.2742 17.9883 9.52429 -37.787 9.52419 -9.65513 GPRESSAVG: 4602200 -12.2303 -13.7693 -38.5924 -15.1593 19.165 8.82838 -36.5468 13.1086 -10.3433 TIMING: 4602200 CPU: 14372.8, 0.00309256/step Wall: 14372.8, 0.00309256/step, 0.341728 hours remaining, 234.898438 MB of memory in use. ENERGY: 4602200 3954.7138 20493.9587 14411.7806 249.7120 -203290.5778 2677.3497 0.0000 0.0000 51908.4096 -109594.6534 298.3183 -161503.0630 -109230.1914 299.0447 183.0426 210.7979 762010.6322 -0.9702 -1.1362 PRESSURE: 4602400 364.455 -173.989 -108.558 -173.989 208.894 -155.118 -108.557 -155.118 -196.349 GPRESSURE: 4602400 358.791 -119.408 -147.705 -232.375 198.501 -173.06 -41.6573 -91.2163 -113.927 PRESSAVG: 4602400 -91.5803 -63.5946 -13.6683 -63.5947 89.6088 -7.83229 -13.6682 -7.83231 0.446491 GPRESSAVG: 4602400 -92.4354 -61.8861 -12.6652 -61.3606 88.7202 -8.06222 -16.4857 -8.62778 2.47311 TIMING: 4602400 CPU: 14373.4, 0.00308369/step Wall: 14373.4, 0.00308368/step, 0.340576 hours remaining, 234.898438 MB of memory in use. ENERGY: 4602400 3941.2028 20582.1675 14403.9447 241.6656 -204155.7061 3187.7346 0.0000 0.0000 52358.4242 -109440.5666 300.9046 -161798.9908 -109086.2873 299.3897 125.6667 147.7885 762939.3904 -0.5083 -0.4140 PRESSURE: 4602600 212.051 -114.682 -2.30236 -114.681 -82.0257 52.5604 -2.30264 52.5601 -44.3694 GPRESSURE: 4602600 268.573 -72.516 -61.819 -125.401 -18.6489 30.3214 118.972 -4.20865 -97.8951 PRESSAVG: 4602600 -47.958 -43.4921 21.4376 -43.4921 -12.9124 31.3592 21.4378 31.3592 32.9352 GPRESSAVG: 4602600 -48.1692 -43.3224 20.9592 -43.7941 -11.3557 30.3752 24.6173 31.1602 31.43 TIMING: 4602600 CPU: 14374, 0.0030741/step Wall: 14374, 0.0030741/step, 0.339347 hours remaining, 234.898438 MB of memory in use. ENERGY: 4602600 3994.8554 20601.6721 14399.5990 250.8795 -203432.5943 2703.4304 0.0000 0.0000 52095.4128 -109386.7450 299.3931 -161482.1578 -109033.4701 299.8089 28.5519 50.6763 763787.4315 -9.3118 -9.3650 PRESSURE: 4602800 78.8542 -160.506 -274.337 -160.504 78.029 321.596 -274.336 321.595 -3.72172 GPRESSURE: 4602800 123.581 -176.712 -220.374 -116.179 183.37 286.159 -197.917 268.874 -49.8829 PRESSAVG: 4602800 -57.8867 -27.7189 -26.8861 -27.719 58.9181 37.1046 -26.886 37.1046 6.43912 GPRESSAVG: 4602800 -58.7376 -28.2787 -27.0462 -26.4287 58.4841 37.8708 -28.8326 38.1449 8.02945 TIMING: 4602800 CPU: 14374.6, 0.0030914/step Wall: 14374.6, 0.0030914/step, 0.341085 hours remaining, 234.898438 MB of memory in use. ENERGY: 4602800 4061.9292 20544.3720 14397.1174 247.5173 -203412.8908 2750.3368 0.0000 0.0000 51924.0036 -109487.6145 298.4080 -161411.6182 -109131.8243 298.9237 51.0538 85.6894 762281.6151 2.4902 2.5920 PRESSURE: 4603000 226.709 -37.3851 -80.0157 -37.3852 -17.5183 12.5089 -80.016 12.5092 351.36 GPRESSURE: 4603000 328.332 -31.903 -124.204 -147.546 52.373 18.5585 -74.7632 -17.9325 248.516 PRESSAVG: 4603000 -50.3238 -9.70125 16.8778 -9.70125 8.57532 37.4303 16.8779 37.4303 9.87361 GPRESSAVG: 4603000 -48.8126 -9.79903 16.7432 -11.273 8.48814 37.6134 16.854 36.2655 8.93666 TIMING: 4603000 CPU: 14375.3, 0.00309768/step Wall: 14375.3, 0.00309768/step, 0.341606 hours remaining, 234.898438 MB of memory in use. ENERGY: 4603000 3900.8089 20567.8315 14420.3873 251.1608 -203349.5373 2853.6165 0.0000 0.0000 51930.6080 -109425.1244 298.4459 -161355.7323 -109059.7116 298.6917 186.8503 209.7405 761316.7165 -10.6250 -10.4626 PRESSURE: 4603200 -85.602 -409.255 39.208 -409.255 -155.858 -101.408 39.2084 -101.409 767.738 GPRESSURE: 4603200 20.1102 -438.93 30.7945 -401.917 -77.5909 -94.8649 -42.2904 -117.616 665.542 PRESSAVG: 4603200 -26.4778 -40.4892 59.5182 -40.4891 -5.67317 50.6824 59.5183 50.6823 14.8214 GPRESSAVG: 4603200 -25.8624 -39.5528 61.4285 -41.1089 -5.25624 50.3777 60.0956 51.3559 13.937 TIMING: 4603200 CPU: 14375.9, 0.00308913/step Wall: 14375.9, 0.00308913/step, 0.340491 hours remaining, 234.898438 MB of memory in use. ENERGY: 4603200 3968.8195 20381.9810 14384.0936 249.5493 -203353.5021 2665.0488 0.0000 0.0000 52051.3598 -109652.6502 299.1399 -161704.0100 -109279.2841 298.9535 175.4258 202.6870 761837.9199 -5.7765 -5.7272 PRESSURE: 4603400 -134.737 124.458 7.27517 124.458 89.1669 179.201 7.27515 179.201 -277.021 GPRESSURE: 4603400 -66.3205 141.624 -47.5769 170.708 71.6057 216.596 -1.6985 192.487 -236.381 PRESSAVG: 4603400 -34.6259 -40.0828 -0.640086 -40.0829 50.9641 51.5031 -0.640077 51.5031 -14.0551 GPRESSAVG: 4603400 -34.0307 -41.9375 -3.01908 -37.3727 49.5761 50.7925 0.072572 51.8831 -12.6455 TIMING: 4603400 CPU: 14376.5, 0.00310458/step Wall: 14376.5, 0.00310458/step, 0.342021 hours remaining, 234.898438 MB of memory in use. ENERGY: 4603400 4037.1075 20587.1858 14461.6529 260.5380 -203747.2804 2845.9396 0.0000 0.0000 51872.8197 -109682.0367 298.1138 -161554.8565 -109325.6892 298.4769 -107.5302 -77.0320 762409.8967 0.7610 0.9666 PRESSURE: 4603600 -358.598 -33.3694 -57.0368 -33.37 -83.7985 196.28 -57.0371 196.28 -442.912 GPRESSURE: 4603600 -357.984 -42.1396 -54.9411 12.3323 28.6683 202.245 12.8363 205.69 -460.998 PRESSAVG: 4603600 45.0853 0.992439 24.1305 0.992402 -26.2281 34.272 24.1306 34.272 -6.94988 GPRESSAVG: 4603600 43.5909 1.71868 25.3757 -1.6294 -24.8893 35.1541 24.8173 34.4136 -6.28962 TIMING: 4603600 CPU: 14377.1, 0.00311905/step Wall: 14377.1, 0.00311905/step, 0.343442 hours remaining, 234.898438 MB of memory in use. ENERGY: 4603600 4035.3121 20567.2204 14389.8827 212.0390 -203250.2780 2612.2894 0.0000 0.0000 51724.0033 -109709.5310 297.2586 -161433.5343 -109347.1714 299.0300 -295.1027 -263.4378 762726.1562 3.9691 4.1373 PRESSURE: 4603800 40.4544 -20.1426 243.313 -20.1438 144.501 10.6525 243.313 10.6529 234.967 GPRESSURE: 4603800 44.6838 -89.6748 221.91 16.5769 171.208 -30.3217 203.099 49.4932 289.215 PRESSAVG: 4603800 -31.4491 16.3835 77.266 16.3835 30.7177 1.31753 77.2659 1.31757 13.1002 GPRESSAVG: 4603800 -30.8737 18.4361 78.0018 16.1426 30.412 1.94283 74.8051 -0.985021 12.5019 TIMING: 4603800 CPU: 14377.8, 0.00310392/step Wall: 14377.8, 0.00310392/step, 0.341604 hours remaining, 234.898438 MB of memory in use. ENERGY: 4603800 3919.3673 20508.2467 14384.4956 258.7121 -203604.2973 2773.9679 0.0000 0.0000 52068.5228 -109690.9848 299.2385 -161759.5076 -109330.6694 298.4779 139.9738 168.3689 762005.8994 4.1229 4.0134 PRESSURE: 4604000 -355.203 183.276 -113.542 183.275 -345.99 -121.919 -113.541 -121.92 -479.102 GPRESSURE: 4604000 -296.206 125.963 -108.07 57.8209 -371.805 -107.831 -91.177 -142.71 -417.513 PRESSAVG: 4604000 16.637 -23.1663 2.5485 -23.1663 -23.532 -21.0751 2.54851 -21.0752 3.81147 GPRESSAVG: 4604000 16.7331 -26.1058 2.2398 -24.7214 -23.6519 -22.3012 2.02942 -18.4802 4.28914 TIMING: 4604000 CPU: 14378.4, 0.00310139/step Wall: 14378.4, 0.00310139/step, 0.341153 hours remaining, 234.898438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4604000 3976.1761 20429.6221 14403.3506 236.3761 -203182.5370 2403.8962 0.0000 0.0000 52066.2696 -109666.8465 299.2256 -161733.1160 -109302.0922 299.1154 -393.4317 -361.8414 764099.0353 -1.0278 -0.8766 PRESSURE: 4604200 65.5086 141.176 -28.4164 141.176 92.9357 -320.411 -28.4163 -320.411 170.413 GPRESSURE: 4604200 75.0936 25.4806 -84.2607 132.268 201.844 -375.373 41.5298 -192.455 142.511 PRESSAVG: 4604200 -25.0831 46.881 26.7051 46.881 2.52911 19.1375 26.7051 19.1375 -20.9697 GPRESSAVG: 4604200 -25.4934 46.2556 26.0641 49.0672 4.27374 19.9296 28.6765 20.3366 -21.4746 TIMING: 4604200 CPU: 14379, 0.00309261/step Wall: 14379, 0.00309261/step, 0.340015 hours remaining, 234.898438 MB of memory in use. ENERGY: 4604200 3953.0562 20528.3392 14373.4290 244.4526 -203380.5121 2877.6884 0.0000 0.0000 51812.2169 -109591.3297 297.7655 -161403.5466 -109240.6285 298.8080 109.6192 139.8162 762499.6732 -14.5079 -14.2314 LDB: ============= START OF LOAD BALANCING ============== 14391.5 LDB: ============== END OF LOAD BALANCING =============== 14391.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14391.5 LDB: ============= START OF LOAD BALANCING ============== 14391.8 LDB: Largest compute 7037 load 0.032258 is 16.5% of average load 0.195284 LDB: Average compute 0.004368 is 2.2% of average load 0.195284 LDB: TIME 14391.8 LOAD: AVG 0.195284 MAX 0.2141 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.828 MB LDB: TIME 14391.8 LOAD: AVG 0.195284 MAX 0.2141 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.902 MB LDB: TIME 14391.8 LOAD: AVG 0.195284 MAX 0.2141 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.902 MB LDB: ============== END OF LOAD BALANCING =============== 14391.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14391.8 PRESSURE: 4604400 235.266 -74.2841 79.5216 -74.2838 -63.2328 -14.6226 79.5209 -14.6223 -181.892 GPRESSURE: 4604400 187.132 -31.8914 52.9279 -50.1581 38.1262 -37.7935 137.9 -164.874 -137.522 PRESSAVG: 4604400 -17.9475 -59.6277 60.4104 -59.6276 38.2339 -2.01121 60.4104 -2.01116 25.6825 GPRESSAVG: 4604400 -18.1282 -56.2804 60.5984 -59.3778 37.6248 -2.40545 60.2839 -5.12466 26.3592 TIMING: 4604400 CPU: 14379.6, 0.00317572/step Wall: 14379.6, 0.00317572/step, 0.348976 hours remaining, 235.144531 MB of memory in use. ENERGY: 4604400 4028.3283 20503.7562 14323.0721 229.9891 -203229.3001 2655.9558 0.0000 0.0000 52126.4929 -109361.7058 299.5717 -161488.1987 -109006.6912 299.1114 -3.2862 29.2455 763642.1844 15.3230 15.2853 PRESSURE: 4604600 97.4048 136.406 21.1098 136.406 273.125 33.1695 21.1101 33.1694 287.805 GPRESSURE: 4604600 157.229 57.0888 -14.2221 174.426 294.872 -26.703 45.4536 127.534 293.791 PRESSAVG: 4604600 -39.9893 -64.6379 39.6359 -64.6378 44.9527 32.5133 39.6359 32.5133 -5.94497 GPRESSAVG: 4604600 -40.6314 -65.9285 38.758 -64.3873 45.3881 32.1266 38.6246 34.6379 -5.50918 TIMING: 4604600 CPU: 14380.2, 0.00310513/step Wall: 14380.2, 0.00310513/step, 0.341046 hours remaining, 235.347656 MB of memory in use. ENERGY: 4604600 3951.0704 20392.1998 14396.9336 247.7196 -203540.0183 2955.7272 0.0000 0.0000 52230.4676 -109365.9000 300.1692 -161596.3677 -109005.8738 299.1951 219.4450 248.6307 762230.5917 -0.3272 -0.2508 PRESSURE: 4604800 -140.274 -79.6162 -225.875 -79.6161 -83.6978 33.9508 -225.874 33.9511 -484.995 GPRESSURE: 4604800 -81.4296 -58.5183 -176.612 -24.6433 -118.899 -26.0163 -163.751 114.234 -425.006 PRESSAVG: 4604800 -22.8454 -60.3141 -6.71992 -60.314 1.66866 19.4418 -6.71995 19.4418 6.43112 GPRESSAVG: 4604800 -21.9634 -59.755 -4.2213 -62.3264 1.15258 20.0796 -6.7617 18.0033 5.85623 TIMING: 4604800 CPU: 14380.9, 0.00308878/step Wall: 14380.9, 0.00308878/step, 0.33908 hours remaining, 235.347656 MB of memory in use. ENERGY: 4604800 4000.8920 20612.6196 14385.6337 244.0216 -203130.6388 2621.6837 0.0000 0.0000 52065.7612 -109200.0270 299.2226 -161265.7882 -108847.2657 299.2920 -236.3223 -208.4450 764366.4533 -4.9152 -4.9849 PRESSURE: 4605000 3.9618 67.9195 120.216 67.9191 -227.438 30.132 120.215 30.1318 22.6706 GPRESSURE: 4605000 15.7832 55.1872 205.222 -11.2677 -160.416 -37.964 138.994 -17.303 22.3016 PRESSAVG: 4605000 26.0793 -46.6559 49.565 -46.6559 11.1156 8.82054 49.565 8.82054 17.904 GPRESSAVG: 4605000 26.6149 -47.0443 49.5641 -44.3927 10.986 8.11345 48.65 9.724 17.6084 TIMING: 4605000 CPU: 14381.5, 0.00310148/step Wall: 14381.5, 0.00310148/step, 0.340301 hours remaining, 235.402344 MB of memory in use. ENERGY: 4605000 4064.0466 20574.3965 14388.0733 268.5125 -203184.0877 2567.7664 0.0000 0.0000 52271.4970 -109049.7955 300.4050 -161321.2924 -108682.5039 300.1728 -66.9354 -40.7772 763135.6222 18.3663 18.4031 PRESSURE: 4605200 346.057 -171.679 -78.217 -171.679 -113.41 -54.9314 -78.2156 -54.9305 135.922 GPRESSURE: 4605200 305.751 -212.281 -55.7095 -125.788 -23.4366 0.709952 -117.03 -28.8672 170.902 PRESSAVG: 4605200 -3.78257 -40.5664 70.2933 -40.5665 34.2125 -26.2828 70.2933 -26.2827 -30.8391 GPRESSAVG: 4605200 -4.19391 -39.7436 69.0405 -41.1981 33.8769 -24.9512 73.0753 -27.708 -29.7549 TIMING: 4605200 CPU: 14382.1, 0.00310913/step Wall: 14382.1, 0.00310913/step, 0.340968 hours remaining, 235.402344 MB of memory in use. ENERGY: 4605200 4005.7338 20687.6991 14389.7624 249.3689 -203303.2438 2747.0324 0.0000 0.0000 52430.9552 -108792.6919 301.3214 -161223.6471 -108419.4079 300.9590 122.8565 151.0723 763157.8149 -0.1364 -0.0239 PRESSURE: 4605400 -0.0506886 -325.235 217.657 -325.236 -103.433 -154.211 217.657 -154.211 -279.913 GPRESSURE: 4605400 24.5039 -337.432 164.74 -278.016 -86.1324 -162.321 297.423 14.2902 -230.079 PRESSAVG: 4605400 10.1381 -67.9015 26.9698 -67.9015 26.1413 3.38313 26.9699 3.38325 13.606 GPRESSAVG: 4605400 9.62066 -68.9289 28.1967 -67.0163 26.8767 2.67666 24.7519 4.61617 13.256 TIMING: 4605400 CPU: 14382.7, 0.00309596/step Wall: 14382.7, 0.00309596/step, 0.339352 hours remaining, 235.402344 MB of memory in use. ENERGY: 4605400 4029.9489 20562.6505 14377.9838 245.9158 -203200.9194 2589.5862 0.0000 0.0000 52320.4219 -109074.4123 300.6862 -161394.8342 -108700.9161 300.3208 -127.7986 -97.2358 761557.0846 16.6285 16.5845 PRESSURE: 4605600 -28.1777 -105.975 -61.0754 -105.975 6.73817 -25.2967 -61.0764 -25.2972 -264.732 GPRESSURE: 4605600 -45.5348 -12.3188 27.5199 -82.4663 62.7221 1.43551 -125.949 6.91721 -233.235 PRESSAVG: 4605600 -30.3526 -16.6043 21.7727 -16.6043 21.606 25.7546 21.7727 25.7545 -18.8293 GPRESSAVG: 4605600 -29.5699 -15.7919 22.2993 -17.7226 22.0275 25.4779 20.8766 27.0196 -19.861 TIMING: 4605600 CPU: 14383.3, 0.00310581/step Wall: 14383.3, 0.00310581/step, 0.340259 hours remaining, 235.402344 MB of memory in use. ENERGY: 4605600 3989.6717 20562.3159 14421.9826 226.4163 -202982.0744 2490.3167 0.0000 0.0000 52171.0605 -109120.3108 299.8278 -161291.3713 -108752.3403 300.0210 -95.3905 -72.0159 761610.6409 -9.1920 -9.1345 PRESSURE: 4605800 -307.498 80.4751 412.629 80.4756 -101.33 -47.6343 412.629 -47.6341 76.0912 GPRESSURE: 4605800 -194.862 -18.2066 409.337 11.7221 -94.4166 60.0981 299.833 -83.9529 23.4655 PRESSAVG: 4605800 -29.0159 -6.51441 35.7692 -6.51437 51.6183 -0.723791 35.7691 -0.723716 -10.4902 GPRESSAVG: 4605800 -28.4871 -6.26707 35.2295 -7.00265 51.2993 0.0112491 38.3549 -3.90246 -11.5058 TIMING: 4605800 CPU: 14384, 0.00309772/step Wall: 14384, 0.00309772/step, 0.3392 hours remaining, 235.507812 MB of memory in use. ENERGY: 4605800 4101.3023 20561.0315 14402.2305 234.5977 -202977.1393 2662.7227 0.0000 0.0000 52295.8950 -108719.3597 300.5452 -161015.2546 -108350.8067 300.7636 -110.9123 -88.6045 764012.2449 4.0374 3.7688 PRESSURE: 4606000 -397.253 -164.342 42.6201 -164.342 48.7957 291.684 42.6201 291.684 4.02328 GPRESSURE: 4606000 -260.821 22.5838 32.3137 -215.792 43.8679 136.026 90.5103 287.946 -31.1821 PRESSAVG: 4606000 34.1375 -37.3758 70.82 -37.3758 21.254 39.6959 70.82 39.6958 -6.08735 GPRESSAVG: 4606000 32.9555 -37.5185 69.068 -37.2613 21.4632 37.5311 69.6238 40.3269 -4.62793 TIMING: 4606000 CPU: 14384.6, 0.0030955/step Wall: 14384.6, 0.00309551/step, 0.338786 hours remaining, 235.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4606000 4001.7070 20483.3902 14436.1799 278.7702 -202950.2622 2670.6835 0.0000 0.0000 52185.8881 -108893.6433 299.9130 -161079.5314 -108529.7591 300.5517 -114.8114 -82.7117 762431.1242 16.4347 16.5969 PRESSURE: 4606200 224.13 46.1627 87.8941 46.1621 441.658 106.397 87.8951 106.398 369.271 GPRESSURE: 4606200 281.051 78.3471 29.4519 37.4689 430.608 165.185 -35.9203 194.844 419.379 PRESSAVG: 4606200 30.4626 -46.7609 40.5014 -46.7609 0.661135 7.22851 40.5013 7.22847 1.00644 GPRESSAVG: 4606200 30.5045 -47.5613 41.997 -46.5947 1.40986 8.6088 38.8916 9.89129 0.224326 TIMING: 4606200 CPU: 14385.2, 0.00309605/step Wall: 14385.2, 0.00309605/step, 0.338674 hours remaining, 235.507812 MB of memory in use. ENERGY: 4606200 3981.0075 20478.6660 14383.5245 257.7684 -203630.7591 3206.6584 0.0000 0.0000 52491.8217 -108831.3125 301.6712 -161323.1342 -108463.6512 300.6963 345.0197 377.0129 761975.7879 10.7100 10.7129 PRESSURE: 4606400 -9.02353 187.705 205.733 187.706 471.57 146.794 205.733 146.794 861.275 GPRESSURE: 4606400 59.1863 111.884 166.17 42.8441 479.032 152.225 99.7421 140.51 884.6 PRESSAVG: 4606400 -16.4 19.3456 17.2991 19.3455 -25.5321 37.0062 17.2991 37.0062 -10.7677 GPRESSAVG: 4606400 -16.3486 17.7117 17.4988 19.5066 -26.597 35.4115 16.5394 36.6151 -10.1163 TIMING: 4606400 CPU: 14385.8, 0.0030689/step Wall: 14385.8, 0.0030689/step, 0.335533 hours remaining, 235.496094 MB of memory in use. ENERGY: 4606400 3913.5980 20695.7088 14419.4471 256.8322 -203231.5142 2891.3498 0.0000 0.0000 52064.2451 -108990.3333 299.2139 -161054.5784 -108621.5999 300.0704 441.2738 474.2726 761062.4075 -17.5666 -17.6873 PRESSURE: 4606600 -88.9831 -133.784 118.563 -133.784 -307.753 -206.847 118.563 -206.848 288.296 GPRESSURE: 4606600 -182.703 -138.039 107.623 -147.461 -167.828 -281.111 48.8797 -157.531 328.285 PRESSAVG: 4606600 -3.54574 -53.4109 14.0559 -53.4109 10.48 -1.88861 14.0558 -1.8886 -8.97387 GPRESSAVG: 4606600 -4.05482 -49.6928 14.1758 -55.5354 11.4442 -0.457318 15.0848 -2.68721 -9.00442 TIMING: 4606600 CPU: 14386.4, 0.00307256/step Wall: 14386.4, 0.00307256/step, 0.335762 hours remaining, 235.484375 MB of memory in use. ENERGY: 4606600 3948.2217 20653.6768 14357.8925 246.6561 -202817.0529 2305.0623 0.0000 0.0000 52187.2309 -109118.3126 299.9207 -161305.5435 -108759.3914 300.3593 -36.1468 -7.4152 761326.6123 -0.6799 -0.5383 PRESSURE: 4606800 -38.4442 -291.964 37.2329 -291.965 -97.9755 33.5781 37.2329 33.5774 -301.73 GPRESSURE: 4606800 -96.2684 -281.117 39.7242 -194.335 -63.876 55.3266 -45.2042 -68.6347 -191.627 PRESSAVG: 4606800 35.4273 -53.979 8.36908 -53.9789 -25.0373 47.7197 8.3691 47.7197 -29.9046 GPRESSAVG: 4606800 35.6469 -55.8802 7.71843 -52.5267 -25.1935 48.5687 10.174 46.4174 -29.8919 TIMING: 4606800 CPU: 14387.1, 0.00309128/step Wall: 14387.1, 0.00309128/step, 0.337636 hours remaining, 235.484375 MB of memory in use. ENERGY: 4606800 4073.9201 20559.8332 14403.2188 244.1913 -203221.5676 2424.9733 0.0000 0.0000 52235.8990 -109279.5319 300.2004 -161515.4309 -108917.6932 299.8273 -146.0499 -117.2572 762350.2112 -6.5049 -6.4795 PRESSURE: 4607000 54.4604 136.463 83.2958 136.462 112.193 137.801 83.2948 137.801 153.618 GPRESSURE: 4607000 62.4688 174.119 119.935 64.1434 153.271 131.355 -14.4922 251.472 185.831 PRESSAVG: 4607000 -19.8273 -69.7715 -6.24779 -69.7715 7.66357 16.3876 -6.24791 16.3876 1.86189 GPRESSAVG: 4607000 -19.2878 -71.4345 -6.20183 -68.6887 7.3577 15.4749 -6.43397 16.7931 1.62833 TIMING: 4607000 CPU: 14387.7, 0.00309186/step Wall: 14387.7, 0.00309186/step, 0.337528 hours remaining, 235.484375 MB of memory in use. ENERGY: 4607000 4012.8062 20563.6425 14325.5423 240.5026 -203364.6881 2912.3331 0.0000 0.0000 52309.5757 -109000.2859 300.6239 -161309.8616 -108634.0853 299.4107 106.7572 133.8571 761884.0997 -3.4339 -3.4339 PRESSURE: 4607200 372.59 30.6198 -210.541 30.6197 -45.2518 -201.233 -210.542 -201.233 175.995 GPRESSURE: 4607200 381.832 2.0926 -279.518 34.0093 -47.587 -211.112 6.48509 -290.668 259.451 PRESSAVG: 4607200 -35.8133 -20.7191 -10.0931 -20.7191 27.8971 39.3113 -10.093 39.3114 7.21962 GPRESSAVG: 4607200 -36.421 -19.7273 -9.91651 -20.9874 28.674 39.4255 -10.8336 37.1691 7.41933 TIMING: 4607200 CPU: 14388.3, 0.00309701/step Wall: 14388.3, 0.00309701/step, 0.337918 hours remaining, 235.484375 MB of memory in use. ENERGY: 4607200 4004.1582 20399.4423 14402.3099 250.3642 -203065.0910 2510.5687 0.0000 0.0000 52193.0425 -109305.2052 299.9541 -161498.2477 -108939.5789 299.5334 167.7780 197.8989 763414.8973 -0.2322 -0.1092 PRESSURE: 4607400 22.8533 -46.4104 143.647 -46.4105 73.893 -116.716 143.646 -116.715 -75.5321 GPRESSURE: 4607400 -14.7211 -106.74 142.329 -47.4136 151.57 -145.145 95.4797 -71.2969 -30.7782 PRESSAVG: 4607400 26.759 5.37904 25.832 5.37909 21.3976 -36.1071 25.832 -36.1071 24.9119 GPRESSAVG: 4607400 28.2555 6.13299 25.6506 2.23552 20.23 -35.7667 26.2344 -34.2143 24.2458 TIMING: 4607400 CPU: 14388.9, 0.00309629/step Wall: 14388.9, 0.00309629/step, 0.337668 hours remaining, 235.507812 MB of memory in use. ENERGY: 4607400 4084.1078 20447.4125 14450.6397 232.0560 -203281.1085 2715.6638 0.0000 0.0000 51946.7909 -109404.4378 298.5389 -161351.2287 -109053.6690 299.4780 7.0714 35.3570 764318.8364 24.3562 24.2437 PRESSURE: 4607600 -201.513 -2.87135 -208.151 -2.87156 -93.754 87.3014 -208.15 87.3014 -341.459 GPRESSURE: 4607600 -189.039 -159.913 -159.79 -54.7197 -9.86735 2.70925 -166.109 172.631 -325.231 PRESSAVG: 4607600 -16.0052 -26.5981 21.5325 -26.5981 27.0306 31.0025 21.5325 31.0025 2.37132 GPRESSAVG: 4607600 -15.8423 -27.4167 21.4393 -25.7478 27.3747 29.6721 20.6829 32.3869 2.45231 TIMING: 4607600 CPU: 14389.5, 0.00308563/step Wall: 14389.5, 0.00308563/step, 0.336334 hours remaining, 235.507812 MB of memory in use. ENERGY: 4607600 3981.4266 20556.4926 14405.8714 233.9480 -203109.0434 2691.8815 0.0000 0.0000 51969.2432 -109270.1799 298.6680 -161239.4232 -108907.4741 298.9549 -212.2421 -174.7123 763411.1671 4.4656 4.6616 PRESSURE: 4607800 -482.06 2.48663 202.638 2.48559 37.6871 -78.1558 202.639 -78.1567 -95.5439 GPRESSURE: 4607800 -380.953 -40.2968 252.769 -47.5427 54.4246 -126.234 199.087 -125.347 -119.381 PRESSAVG: 4607800 21.0001 -63.5138 38.6007 -63.5137 4.81077 65.4664 38.6007 65.4664 -5.10673 GPRESSAVG: 4607800 19.9532 -62.6758 38.812 -61.6093 6.24856 65.6285 39.1529 63.6406 -5.20352 TIMING: 4607800 CPU: 14390.1, 0.00308566/step Wall: 14390.1, 0.00308566/step, 0.336166 hours remaining, 235.507812 MB of memory in use. ENERGY: 4607800 3991.5264 20427.4015 14339.4752 239.7290 -202937.4108 2574.7142 0.0000 0.0000 52252.2202 -109112.3444 300.2942 -161364.5646 -108734.7149 299.0851 -179.9724 -148.6366 764001.9499 6.9014 6.9994 PRESSURE: 4608000 -309.924 66.046 -75.4695 66.0467 -35.0572 -226.087 -75.4696 -226.086 -37.9162 GPRESSURE: 4608000 -248.393 179.347 -218.416 44.2055 -48.7785 -202.698 9.89858 -263.195 -5.8377 PRESSAVG: 4608000 26.6699 -61.517 45.1977 -61.517 30.4901 42.5578 45.1978 42.5578 4.13276 GPRESSAVG: 4608000 26.5171 -62.1969 44.5389 -61.3536 29.4719 43.9441 44.8973 39.8096 4.6691 TIMING: 4608000 CPU: 14390.8, 0.00307551/step Wall: 14390.8, 0.0030755/step, 0.334888 hours remaining, 235.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4608000 4001.7609 20414.1518 14440.8179 238.6597 -202902.7640 2593.7606 0.0000 0.0000 52279.8233 -108933.7896 300.4529 -161213.6130 -108566.6955 300.2134 -127.6326 -101.0032 763682.9077 20.4309 20.2194 PRESSURE: 4608200 58.0734 -290.595 -70.9168 -290.595 -177.498 98.6551 -70.9168 98.6543 -347.807 GPRESSURE: 4608200 78.2761 -210.752 -61.0074 -300.356 -171.169 132.061 -40.3761 106.861 -279.181 PRESSAVG: 4608200 -20.5469 -36.2265 2.06642 -36.2265 -16.771 68.7709 2.06648 68.7708 1.26225 GPRESSAVG: 4608200 -20.5559 -35.0009 2.37026 -37.9515 -16.6494 68.687 1.53669 72.1314 1.49954 TIMING: 4608200 CPU: 14391.4, 0.00309018/step Wall: 14391.4, 0.00309018/step, 0.336315 hours remaining, 235.507812 MB of memory in use. ENERGY: 4608200 4008.5626 20629.4757 14406.5053 257.3252 -203173.7539 2740.9267 0.0000 0.0000 52158.0765 -108972.8819 299.7532 -161130.9583 -108615.1746 299.8540 -155.7441 -124.0246 762907.8932 -12.0185 -11.9019 LDB: ============= START OF LOAD BALANCING ============== 14403.8 LDB: ============== END OF LOAD BALANCING =============== 14403.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14403.9 LDB: ============= START OF LOAD BALANCING ============== 14404.2 LDB: Largest compute 7037 load 0.031616 is 16.2% of average load 0.195378 LDB: Average compute 0.004386 is 2.2% of average load 0.195378 LDB: TIME 14404.2 LOAD: AVG 0.195378 MAX 0.215239 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.352 MB LDB: TIME 14404.2 LOAD: AVG 0.195378 MAX 0.215239 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.352 MB LDB: TIME 14404.2 LOAD: AVG 0.195378 MAX 0.215239 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.352 MB LDB: ============== END OF LOAD BALANCING =============== 14404.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14404.2 PRESSURE: 4608400 39.3131 -56.4042 -78.5677 -56.4047 137.55 -128.341 -78.5682 -128.341 -149.221 GPRESSURE: 4608400 44.242 -71.7455 -113.408 -45.2631 153.616 -95.5107 -25.2708 -199.344 -78.004 PRESSAVG: 4608400 -36.7739 -12.2204 17.1368 -12.2203 29.1126 55.6641 17.1368 55.6642 -7.74171 GPRESSAVG: 4608400 -36.9396 -13.5575 17.0772 -11.6347 30.2781 56.3567 17.3175 54.3383 -8.44266 TIMING: 4608400 CPU: 14392, 0.00315585/step Wall: 14392, 0.00315585/step, 0.343286 hours remaining, 235.179688 MB of memory in use. ENERGY: 4608400 4011.1977 20527.3586 14368.5065 225.8426 -202849.0009 2551.6906 0.0000 0.0000 52258.1020 -108906.3029 300.3280 -161164.4049 -108548.8676 300.1451 9.2141 39.9515 763316.5913 -5.1344 -5.0347 PRESSURE: 4608600 92.7432 159.642 79.5825 159.641 102.692 -15.6034 79.5822 -15.6044 -56.5027 GPRESSURE: 4608600 143.221 203.645 102.16 128.507 40.9186 -120.093 32.8592 24.3559 28.3371 PRESSAVG: 4608600 -34.2548 5.29076 49.2605 5.2908 46.9199 48.4028 49.2605 48.4028 9.34298 GPRESSAVG: 4608600 -32.7362 5.79603 49.4697 5.89325 45.12 46.7025 49.1443 48.8274 10.1905 TIMING: 4608600 CPU: 14392.6, 0.00309933/step Wall: 14392.6, 0.00309933/step, 0.336966 hours remaining, 235.382812 MB of memory in use. ENERGY: 4608600 4051.3911 20619.7399 14411.8177 244.1157 -203088.1925 2771.8444 0.0000 0.0000 52099.9713 -108889.3125 299.4193 -160989.2838 -108532.6664 300.5548 46.3109 70.8255 762349.4430 7.3360 7.5248 PRESSURE: 4608800 133.367 -35.2413 239.88 -35.2418 137.11 -57.1025 239.88 -57.1023 322.969 GPRESSURE: 4608800 -26.779 46.9513 127.758 -47.5903 393.931 4.21721 189.118 -17.2536 317.072 PRESSAVG: 4608800 -16.3624 9.04067 -8.79211 9.04068 60.9389 72.2056 -8.79212 72.2056 11.0883 GPRESSAVG: 4608800 -17.9002 10.3001 -9.48496 8.11794 62.9618 73.1866 -8.75406 74.1617 10.9625 TIMING: 4608800 CPU: 14393.2, 0.00309081/step Wall: 14393.2, 0.0030908/step, 0.335867 hours remaining, 235.382812 MB of memory in use. ENERGY: 4608800 4013.2191 20495.0433 14448.6065 259.5018 -203538.9142 2953.1703 0.0000 0.0000 52428.5071 -108940.8661 301.3074 -161369.3732 -108583.4743 300.1366 197.8153 228.0746 762590.3336 18.5549 18.6747 PRESSURE: 4609000 -4.49964 -10.8155 -201.534 -10.8154 -56.4601 381.83 -201.533 381.831 -393.623 GPRESSURE: 4609000 55.5665 -41.8915 -232.748 25.7995 -117.897 299.59 -91.2447 302.046 -317.109 PRESSAVG: 4609000 9.57462 13.9269 2.39614 13.9269 9.35673 16.2267 2.39613 16.2267 7.80401 GPRESSAVG: 4609000 10.8807 13.0877 3.05608 13.7871 7.80544 15.2785 2.74695 13.7955 8.25514 TIMING: 4609000 CPU: 14393.9, 0.00310012/step Wall: 14393.9, 0.00310012/step, 0.336708 hours remaining, 235.382812 MB of memory in use. ENERGY: 4609000 4062.5053 20558.6863 14463.1179 241.9168 -202856.2534 2285.5238 0.0000 0.0000 52384.9136 -108859.5899 301.0568 -161244.5035 -108499.3595 300.2804 -151.5276 -126.4799 761606.4962 8.9118 8.9804 PRESSURE: 4609200 -161.201 131.71 -31.3875 131.71 76.4206 46.827 -31.3877 46.828 -118.983 GPRESSURE: 4609200 -14.0191 204.886 -90.8727 27.9223 57.2525 6.54504 1.10272 -7.76092 -172.853 PRESSAVG: 4609200 -7.92432 0.448995 -33.9085 0.448956 52.5503 -14.4487 -33.9086 -14.4488 9.21772 GPRESSAVG: 4609200 -6.93339 0.584694 -34.0309 1.68151 51.9199 -13.8071 -31.1967 -14.3758 9.14359 TIMING: 4609200 CPU: 14394.5, 0.00310141/step Wall: 14394.5, 0.00310141/step, 0.336675 hours remaining, 235.585938 MB of memory in use. ENERGY: 4609200 4067.0802 20577.8971 14324.8777 243.0225 -203296.5716 2716.3372 0.0000 0.0000 52572.4028 -108794.9541 302.1343 -161367.3569 -108421.0278 300.8952 -67.9211 -43.2064 763265.7657 17.9479 18.0434 PRESSURE: 4609400 -58.3984 -129.89 60.3532 -129.889 -79.2023 -109.775 60.3527 -109.774 -41.4875 GPRESSURE: 4609400 40.8262 -179.262 38.6509 -168.499 -39.7956 -72.8467 -19.9305 -98.5429 -82.0794 PRESSAVG: 4609400 -34.2889 -41.7079 -6.66273 -41.7079 3.19028 -7.5389 -6.6628 -7.53885 -27.7194 GPRESSAVG: 4609400 -34.8251 -42.2816 -5.98652 -42.7752 3.99406 -7.73875 -8.51884 -6.84786 -28.3165 TIMING: 4609400 CPU: 14395.1, 0.0030898/step Wall: 14395.1, 0.0030898/step, 0.335244 hours remaining, 235.585938 MB of memory in use. ENERGY: 4609400 3973.3293 20607.5120 14400.7315 258.7977 -203152.4339 2730.8708 0.0000 0.0000 52406.3689 -108774.8238 301.1801 -161181.1927 -108408.0498 300.7533 -59.6961 -27.0163 761716.7638 -19.6060 -19.7158 PRESSURE: 4609600 44.1408 -143.706 -49.9928 -143.707 -156.113 -20.9193 -49.9934 -20.9197 -33.5547 GPRESSURE: 4609600 51.1836 -121.374 -47.5665 -118.345 -115.751 -46.8892 -1.87227 -5.10285 19.4049 PRESSAVG: 4609600 -19.7419 -58.1957 -1.00722 -58.1957 75.5541 -8.45467 -1.00719 -8.45469 -17.1553 GPRESSAVG: 4609600 -19.4227 -59.3976 -0.531001 -56.8317 75.4483 -6.64283 -2.67714 -9.84978 -16.6152 TIMING: 4609600 CPU: 14395.7, 0.00308954/step Wall: 14395.7, 0.00308954/step, 0.335044 hours remaining, 235.585938 MB of memory in use. ENERGY: 4609600 3943.8844 20612.5264 14356.9871 239.7724 -202850.4126 2571.2295 0.0000 0.0000 52284.4666 -108841.5463 300.4795 -161126.0129 -108473.6640 301.1291 -48.5089 -15.0542 762622.0070 12.8856 13.1368 PRESSURE: 4609800 -99.0942 -253.846 48.8449 -253.845 39.0619 -97.0087 48.8441 -97.0098 -135.167 GPRESSURE: 4609800 -158.733 -214.113 28.6028 -213.145 107.664 -20.2716 49.0297 -30.9802 -86.0562 PRESSAVG: 4609800 -50.6871 -21.3912 -1.93423 -21.3912 34.0154 -10.3396 -1.93423 -10.3396 25.2693 GPRESSAVG: 4609800 -51.3866 -20.7788 -3.59772 -22.0261 33.4245 -12.478 -0.748542 -7.77475 26.1487 TIMING: 4609800 CPU: 14396.3, 0.00311444/step Wall: 14396.3, 0.00311444/step, 0.33757 hours remaining, 235.585938 MB of memory in use. ENERGY: 4609800 4016.5902 20623.3240 14427.5883 250.0727 -202552.9893 2373.0785 0.0000 0.0000 52235.3595 -108626.9760 300.1973 -160862.3356 -108268.9063 300.1657 -65.0664 -45.7084 762903.7458 2.8659 2.7288 PRESSURE: 4610000 -10.936 -30.5815 65.7336 -30.5817 -65.4291 -32.9195 65.7332 -32.9194 -62.4407 GPRESSURE: 4610000 41.0881 -56.681 52.8123 -116.44 2.06785 21.7106 36.5592 -90.0557 -101.992 PRESSAVG: 4610000 2.52463 -42.5655 22.775 -42.5656 25.727 -35.5107 22.7751 -35.5107 -33.4776 GPRESSAVG: 4610000 3.05462 -40.6178 25.6354 -43.5571 26.4867 -34.041 21.2665 -34.8687 -35.1365 TIMING: 4610000 CPU: 14397, 0.00310794/step Wall: 14397, 0.00310794/step, 0.336693 hours remaining, 235.585938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4610000 3936.1659 20681.1938 14361.3952 273.4349 -202737.8748 2540.9248 0.0000 0.0000 52325.7540 -108619.0063 300.7168 -160944.7603 -108249.8143 300.6920 -46.2686 -19.6121 762597.3224 -1.7420 -1.8650 PRESSURE: 4610200 -157.878 86.7227 -123.055 86.7214 -188.404 94.6253 -123.055 94.6244 -108.879 GPRESSURE: 4610200 -257.366 125.201 -28.8758 114.096 -35.0571 158.343 -114.758 103.708 -60.3617 PRESSAVG: 4610200 -40.5705 -40.6324 1.81622 -40.6325 7.45728 0.14344 1.81631 0.143389 13.6606 GPRESSAVG: 4610200 -41.4616 -41.8202 -0.638641 -41.1293 8.06349 -1.53387 0.611187 -0.622028 14.0964 TIMING: 4610200 CPU: 14397.6, 0.00310201/step Wall: 14397.6, 0.00310201/step, 0.335879 hours remaining, 235.585938 MB of memory in use. ENERGY: 4610200 4014.8505 20663.4202 14397.2608 248.0549 -202961.6927 2788.8586 0.0000 0.0000 52180.9421 -108668.3056 299.8846 -160849.2477 -108313.4169 300.3374 -151.7204 -117.5949 764871.1238 -6.4842 -6.4339 PRESSURE: 4610400 33.3404 47.3777 54.6604 47.3772 -124.563 24.4672 54.6605 24.4679 72.5787 GPRESSURE: 4610400 -32.0335 -35.7603 58.0047 143.182 16.4563 139.971 182.313 -67.9715 74.6204 PRESSAVG: 4610400 5.09835 -11.2536 -67.1148 -11.2536 22.279 -33.4675 -67.1148 -33.4676 -13.351 GPRESSAVG: 4610400 3.46562 -11.1759 -67.4678 -10.5454 22.8171 -33.5034 -64.9394 -33.5771 -12.5676 TIMING: 4610400 CPU: 14398.2, 0.0031041/step Wall: 14398.2, 0.0031041/step, 0.335933 hours remaining, 235.585938 MB of memory in use. ENERGY: 4610400 3920.1141 20613.6708 14405.3531 251.9520 -202988.9286 2532.5928 0.0000 0.0000 52390.2575 -108874.9885 301.0875 -161265.2459 -108518.2019 300.6009 -6.2146 19.6811 762719.3883 4.6754 4.5717 PRESSURE: 4610600 -129.945 80.7994 -9.93335 80.7992 -110.938 268.667 -9.93356 268.667 -141.919 GPRESSURE: 4610600 -75.2135 115.974 11.344 200.449 -103.046 233.522 32.3296 298.387 -137.681 PRESSAVG: 4610600 -9.75166 1.21805 5.69395 1.21806 -9.69427 26.8785 5.69391 26.8784 -30.9038 GPRESSAVG: 4610600 -8.58126 2.34335 6.17376 1.8771 -9.44977 27.7253 6.01754 26.8306 -31.776 TIMING: 4610600 CPU: 14398.8, 0.00309646/step Wall: 14398.8, 0.00309646/step, 0.334934 hours remaining, 235.585938 MB of memory in use. ENERGY: 4610600 4027.0907 20548.7206 14390.7956 251.7914 -203012.2591 2522.1393 0.0000 0.0000 52087.4433 -109184.2781 299.3473 -161271.7214 -108810.6921 300.0816 -127.6006 -105.3134 764556.0019 -16.7833 -16.6023 PRESSURE: 4610800 -11.6643 30.4701 311.498 30.4716 -117.809 189.725 311.497 189.725 -882.06 GPRESSURE: 4610800 -19.3372 63.7728 342.772 4.71629 -62.8757 189.641 306.145 226.603 -841.871 PRESSAVG: 4610800 15.4081 -11.8317 -2.15699 -11.8317 13.0215 -40.6872 -2.15692 -40.6871 -12.793 GPRESSAVG: 4610800 15.5065 -13.1679 -1.48628 -12.104 12.4458 -41.5079 -2.70305 -40.0451 -12.4014 TIMING: 4610800 CPU: 14399.4, 0.00310768/step Wall: 14399.4, 0.00310768/step, 0.335975 hours remaining, 235.585938 MB of memory in use. ENERGY: 4610800 4022.3342 20626.8212 14395.5354 256.9683 -203443.3771 2700.2523 0.0000 0.0000 52109.5692 -109331.8965 299.4744 -161441.4657 -108969.8197 299.6160 -337.1776 -308.0281 762104.7574 5.2122 5.1836 PRESSURE: 4611000 -6.64628 -45.7355 56.7907 -45.7364 -364.16 48.0673 56.7904 48.0677 53.623 GPRESSURE: 4611000 -16.6921 -109.794 51.3774 -51.3946 -278.222 -59.5669 70.5849 130.073 55.8895 PRESSAVG: 4611000 15.374 -8.85867 -2.91402 -8.85868 18.2382 41.6069 -2.91404 41.6069 -21.1342 GPRESSAVG: 4611000 14.6478 -10.2059 -2.3638 -10.6164 17.4024 42.8071 -3.47376 39.5966 -20.4888 TIMING: 4611000 CPU: 14400.1, 0.00309709/step Wall: 14400.1, 0.00309709/step, 0.334658 hours remaining, 235.585938 MB of memory in use. ENERGY: 4611000 3902.9068 20757.0960 14435.5698 241.9779 -203040.0695 2458.2456 0.0000 0.0000 51883.6414 -109360.6319 298.1760 -161244.2733 -108991.6978 299.2414 -105.7278 -79.6749 761991.6284 4.1593 3.8538 PRESSURE: 4611200 -144.281 -68.2032 77.4263 -68.203 117.515 54.1172 77.4271 54.1167 5.8299 GPRESSURE: 4611200 -146.373 -59.763 55.579 -36.3606 195.265 54.3749 28.8774 118.801 23.9221 PRESSAVG: 4611200 -12.4164 -26.7801 8.41366 -26.7801 -5.43381 25.7812 8.41363 25.7812 -18.3739 GPRESSAVG: 4611200 -11.3397 -26.0371 6.85405 -25.5444 -5.02397 26.4189 8.34599 25.5381 -19.1894 TIMING: 4611200 CPU: 14400.7, 0.00308477/step Wall: 14400.7, 0.00308477/step, 0.333155 hours remaining, 235.585938 MB of memory in use. ENERGY: 4611200 3943.4791 20395.1303 14431.8788 246.9825 -203273.4454 2790.7804 0.0000 0.0000 52099.3687 -109365.8255 299.4158 -161465.1942 -109003.3173 299.1620 -6.9785 24.2711 763679.7275 -12.0747 -11.8510 PRESSURE: 4611400 -276.513 -36.1921 119.53 -36.1921 -413.188 -54.0963 119.53 -54.0963 193.449 GPRESSURE: 4611400 -245.976 -40.835 57.2525 65.6997 -342.603 9.21928 105.973 -138.786 162.085 PRESSAVG: 4611400 -26.1306 -35.0579 3.5361 -35.0579 33.6651 21.0237 3.53609 21.0238 -2.65772 GPRESSAVG: 4611400 -26.2396 -34.4159 4.86148 -35.0112 33.6377 19.6807 2.73861 23.3927 -2.93646 TIMING: 4611400 CPU: 14401.3, 0.00310976/step Wall: 14401.3, 0.00310976/step, 0.335681 hours remaining, 235.585938 MB of memory in use. ENERGY: 4611400 3943.8731 20484.9291 14416.5782 256.9877 -202678.5558 2302.9224 0.0000 0.0000 52085.7240 -109187.5414 299.3374 -161273.2654 -108834.8347 299.2116 -165.4172 -142.1644 764035.1155 1.6256 1.4872 PRESSURE: 4611600 78.7177 -37.5483 -57.0902 -37.5479 84.2534 176.553 -57.0901 176.553 359.578 GPRESSURE: 4611600 152.865 -19.6851 5.58746 -9.84119 -2.91781 147.432 18.7668 165.282 471.276 PRESSAVG: 4611600 27.1718 -10.106 -21.2038 -10.106 -42.4397 -12.0026 -21.2039 -12.0026 20.9904 GPRESSAVG: 4611600 27.9716 -11.6887 -21.4207 -10.0842 -43.0672 -13.8624 -21.4135 -12.0892 20.835 TIMING: 4611600 CPU: 14401.9, 0.00311945/step Wall: 14401.9, 0.00311945/step, 0.336554 hours remaining, 235.585938 MB of memory in use. ENERGY: 4611600 3957.9271 20633.4897 14332.8632 255.2362 -202938.6507 2753.0147 0.0000 0.0000 52012.1589 -108993.9609 298.9146 -161006.1198 -108648.6099 299.4550 174.1829 207.0744 762826.4526 1.9075 1.9131 PRESSURE: 4611800 -58.6686 49.3611 -35.7708 49.3614 -104.466 -13.511 -35.771 -13.5114 145.887 GPRESSURE: 4611800 1.51613 -19.0977 18.1821 90.5569 -47.9668 55.6213 -55.62 -33.5923 121.678 PRESSAVG: 4611800 42.3068 -36.9598 -13.7 -36.9598 -29.165 51.8977 -13.7 51.8977 4.06591 GPRESSAVG: 4611800 42.4213 -35.6725 -12.7384 -36.9464 -29.4549 54.9429 -13.7792 48.6897 4.13968 TIMING: 4611800 CPU: 14402.6, 0.00311948/step Wall: 14402.6, 0.00311948/step, 0.336384 hours remaining, 235.585938 MB of memory in use. ENERGY: 4611800 3996.3144 20585.7590 14331.8059 241.3063 -203065.7835 2630.0773 0.0000 0.0000 52334.2565 -108946.2641 300.7657 -161280.5206 -108586.1055 299.8063 -5.7492 25.0757 763529.1837 5.7359 5.7021 PRESSURE: 4612000 -174.336 -17.8105 56.1982 -17.8105 38.8968 -170.266 56.198 -170.268 -137.223 GPRESSURE: 4612000 -170.248 -53.1139 12.9803 44.1884 35.4197 -150.428 45.792 -163.553 -69.0311 PRESSAVG: 4612000 -24.6228 22.7364 12.578 22.7364 -47.8503 24.1668 12.578 24.1669 -17.8872 GPRESSAVG: 4612000 -24.8087 22.7195 11.3156 23.1767 -47.3602 23.8819 14.3267 25.8223 -18.0469 TIMING: 4612000 CPU: 14403.2, 0.00311866/step Wall: 14403.2, 0.00311866/step, 0.336123 hours remaining, 235.640625 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: 4612000 3949.6938 20601.7008 14389.7781 237.4519 -202757.7690 2583.8478 0.0000 0.0000 51909.4396 -109085.8571 298.3243 -160995.2967 -108736.8242 299.5881 -90.8874 -67.9532 763769.7596 -30.1201 -30.0719 PRESSURE: 4612200 253.099 -338.106 3.55913 -338.106 -3.41522 246.853 3.55978 246.851 150.638 GPRESSURE: 4612200 232.566 -263.831 14.6064 -248.298 74.8435 314.118 76.9911 190.842 161.073 PRESSAVG: 4612200 -31.8968 -1.08733 35.6818 -1.08729 4.43294 -8.43936 35.6818 -8.43941 5.11897 GPRESSAVG: 4612200 -33.2584 -1.30129 36.3412 -0.578598 5.07543 -9.91918 34.1447 -5.67509 5.5398 TIMING: 4612200 CPU: 14403.8, 0.00310122/step Wall: 14403.8, 0.00310122/step, 0.334071 hours remaining, 235.585938 MB of memory in use. ENERGY: 4612200 3936.0378 20590.0528 14356.0347 230.1711 -203379.8819 2780.3529 0.0000 0.0000 52411.0699 -109076.1627 301.2071 -161487.2326 -108716.9165 299.5865 133.4406 156.1607 763590.8159 -7.4483 -7.5477 LDB: ============= START OF LOAD BALANCING ============== 14416.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14416.3 LDB: =============== DONE WITH MIGRATION ================ 14416.3 LDB: ============= START OF LOAD BALANCING ============== 14416.6 LDB: Largest compute 7037 load 0.031759 is 16.3% of average load 0.195369 LDB: Average compute 0.004393 is 2.2% of average load 0.195369 LDB: TIME 14416.6 LOAD: AVG 0.195369 MAX 0.216097 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.152 MB LDB: TIME 14416.6 LOAD: AVG 0.195369 MAX 0.216097 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.355 MB LDB: TIME 14416.6 LOAD: AVG 0.195369 MAX 0.216097 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.355 MB LDB: ============== END OF LOAD BALANCING =============== 14416.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14416.6 PRESSURE: 4612400 -181.903 -203.967 -18.5317 -203.966 -120.549 204.556 -18.5316 204.555 49.286 GPRESSURE: 4612400 -148.426 -158.819 34.4356 -288.608 -18.4383 224.419 -30.9954 70.848 -1.51612 PRESSAVG: 4612400 -20.7042 18.1127 32.4184 18.1127 19.1689 13.4685 32.4183 13.4685 -12.5599 GPRESSAVG: 4612400 -21.3614 19.2794 31.2206 16.3476 20.2068 13.118 33.9062 13.2061 -13.1965 TIMING: 4612400 CPU: 14404.4, 0.0031687/step Wall: 14404.4, 0.0031687/step, 0.341164 hours remaining, 235.296875 MB of memory in use. ENERGY: 4612400 4044.5328 20595.3926 14371.6439 239.3031 -203163.1029 2652.6034 0.0000 0.0000 52160.7495 -109098.8777 299.7685 -161259.6272 -108738.5193 299.9184 -84.3885 -56.1269 763421.1730 -4.6984 -4.7837 PRESSURE: 4612600 -349.723 97.1808 -17.4214 97.1809 -73.6792 282.828 -17.4211 282.828 -69.8091 GPRESSURE: 4612600 -222.426 41.8134 -106.853 124.021 -108.679 283.564 -160.935 313.987 -88.5332 PRESSAVG: 4612600 -28.8981 -26.5265 -33.7183 -26.5265 2.65485 23.334 -33.7184 23.3339 18.6302 GPRESSAVG: 4612600 -27.6596 -27.1746 -35.9853 -26.849 0.878075 23.6017 -34.6289 20.0893 19.1774 TIMING: 4612600 CPU: 14405.1, 0.00310287/step Wall: 14405.1, 0.00310287/step, 0.333903 hours remaining, 235.296875 MB of memory in use. ENERGY: 4612600 3973.0913 20635.5328 14387.6809 247.0042 -202559.7129 2300.0925 0.0000 0.0000 51989.2561 -109027.0552 298.7830 -161016.3113 -108666.3879 299.9117 -164.4037 -139.8791 764664.6711 -2.5377 -2.5347 PRESSURE: 4612800 -322.64 -30.8498 127.701 -30.8497 -243.255 -78.6854 127.701 -78.6865 231.22 GPRESSURE: 4612800 -262.915 -43.5737 120.032 24.8282 -171.652 -45.9996 158 48.3611 196.805 PRESSAVG: 4612800 -16.0504 -68.3231 -14.1305 -68.3231 79.9931 -16.1918 -14.1305 -16.1919 0.450247 GPRESSAVG: 4612800 -15.1062 -71.9078 -10.2974 -65.468 79.8692 -14.2602 -15.0988 -12.6804 -0.23388 TIMING: 4612800 CPU: 14405.7, 0.00310861/step Wall: 14405.7, 0.00310861/step, 0.334349 hours remaining, 235.296875 MB of memory in use. ENERGY: 4612800 3959.3887 20417.2140 14450.0185 244.1840 -202847.3866 2597.3993 0.0000 0.0000 52030.6026 -109148.5796 299.0206 -161179.1821 -108781.1270 299.5508 -111.5583 -79.2540 761288.2112 21.4643 21.5097 PRESSURE: 4613000 -33.6646 229.908 -339.672 229.909 -140.93 -51.2939 -339.672 -51.2936 -166.485 GPRESSURE: 4613000 14.9988 202.188 -363.953 198.883 -58.7624 -141.986 -145.737 -87.9691 -209.271 PRESSAVG: 4613000 -21.309 -1.61544 -56.3393 -1.61545 55.5851 6.66676 -56.3393 6.66678 21.0932 GPRESSAVG: 4613000 -22.4042 1.51468 -58.6029 -3.78646 55.9173 5.29492 -54.2037 4.56286 22.2217 TIMING: 4613000 CPU: 14406.3, 0.00309588/step Wall: 14406.3, 0.00309588/step, 0.332807 hours remaining, 235.296875 MB of memory in use. ENERGY: 4613000 4050.6417 20280.1124 14474.8240 250.3844 -202910.2561 2506.1526 0.0000 0.0000 52030.7439 -109317.3970 299.0214 -161348.1409 -108959.6259 299.1462 -113.6932 -84.3450 762316.1370 18.4565 18.5782 PRESSURE: 4613200 -313.058 -16.6222 -7.97993 -16.6227 -145.177 -83.4895 -7.97943 -83.4888 -165.46 GPRESSURE: 4613200 -349.807 1.10629 -36.0458 64.9345 -36.883 -96.7744 55.4195 -121.532 -165.374 PRESSAVG: 4613200 23.6855 -52.9956 8.37291 -52.9956 35.596 -7.41557 8.37294 -7.41557 9.68897 GPRESSAVG: 4613200 23.1381 -52.8467 7.95196 -51.6826 35.0317 -8.2103 7.18732 -7.97804 10.6085 TIMING: 4613200 CPU: 14406.9, 0.00310881/step Wall: 14406.9, 0.00310881/step, 0.334025 hours remaining, 235.296875 MB of memory in use. ENERGY: 4613200 4036.0022 20194.8119 14439.9882 273.4284 -203215.2862 2668.5596 0.0000 0.0000 52131.7129 -109470.7830 299.6017 -161602.4958 -109107.2629 298.9890 -207.8982 -184.0212 763474.4368 22.9901 22.9261 PRESSURE: 4613400 -437.083 -43.8485 187.645 -43.849 -208.265 -114.019 187.644 -114.019 -414.057 GPRESSURE: 4613400 -399.021 -249.12 245.964 -32.5395 -182.805 -49.7226 160.23 67.639 -391.849 PRESSAVG: 4613400 5.50278 -27.3373 -41.0532 -27.3374 -0.458524 -13.18 -41.0532 -13.1801 -31.565 GPRESSAVG: 4613400 6.35009 -26.5923 -39.3676 -29.3076 0.594025 -10.7471 -39.7646 -9.84101 -33.6361 TIMING: 4613400 CPU: 14407.5, 0.00308411/step Wall: 14407.5, 0.00308411/step, 0.331199 hours remaining, 235.296875 MB of memory in use. ENERGY: 4613400 4001.1827 20297.5980 14400.9498 268.3019 -202720.9904 2288.0821 0.0000 0.0000 51903.0637 -109561.8122 298.2876 -161464.8760 -109199.1988 298.7857 -353.1351 -324.5583 765380.4670 -8.8402 -8.8973 PRESSURE: 4613600 284.568 41.9017 -41.0393 41.9009 -316.238 -10.998 -41.0389 -10.9981 47.491 GPRESSURE: 4613600 303.87 112.697 -79.9465 92.7174 -177.625 -68.629 -193.305 -113.778 -19.3602 PRESSAVG: 4613600 -56.378 9.16075 -16.3448 9.1607 14.4344 23.7636 -16.3447 23.7635 2.31631 GPRESSAVG: 4613600 -56.646 8.49343 -15.5219 9.84928 13.7506 21.4773 -17.0004 20.9772 2.975 TIMING: 4613600 CPU: 14408.1, 0.00308875/step Wall: 14408.1, 0.00308875/step, 0.331526 hours remaining, 235.296875 MB of memory in use. ENERGY: 4613600 4027.3555 20389.2874 14450.2040 267.2417 -202974.4287 2518.0697 0.0000 0.0000 52099.4663 -109222.8042 299.4163 -161322.2704 -108873.5050 298.5023 5.2735 35.6284 763315.2884 -13.2091 -13.3068 PRESSURE: 4613800 2.64345 150.729 -384.178 150.729 -65.7757 86.9908 -384.178 86.9908 111.95 GPRESSURE: 4613800 52.9355 93.7519 -321.511 44.1124 -38.7429 89.9622 -287.928 64.1098 88.597 PRESSAVG: 4613800 8.47732 44.2464 -13.622 44.2465 -10.8288 -16.3525 -13.6219 -16.3525 14.3938 GPRESSAVG: 4613800 7.63715 44.1877 -15.8658 43.5728 -10.7866 -17.0297 -14.1498 -18.494 15.1764 TIMING: 4613800 CPU: 14408.8, 0.00309078/step Wall: 14408.8, 0.00309078/step, 0.331572 hours remaining, 235.296875 MB of memory in use. ENERGY: 4613800 3906.1171 20597.0201 14419.0852 235.5924 -203217.5279 2846.2463 0.0000 0.0000 51915.4257 -109298.0411 298.3587 -161213.4668 -108947.0407 299.5444 16.2727 34.2632 762995.8687 4.0141 4.0090 PRESSURE: 4614000 142.358 -50.9012 -102.592 -50.9015 -31.861 51.5315 -102.592 51.5323 -248.695 GPRESSURE: 4614000 170.697 -147.493 -88.3112 110.941 -27.8815 -71.4614 -101.771 9.23635 -207.76 PRESSAVG: 4614000 52.938 -6.7433 -52.058 -6.74336 -75.0102 -43.0555 -52.058 -43.0556 2.78407 GPRESSAVG: 4614000 53.8933 -6.8897 -52.4269 -3.77045 -74.8485 -42.905 -51.4198 -40.4372 2.08751 TIMING: 4614000 CPU: 14409.4, 0.0030843/step Wall: 14409.4, 0.0030843/step, 0.330706 hours remaining, 235.296875 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: 4614000 4021.5856 20362.8122 14481.7775 257.1337 -203197.9766 2608.2627 0.0000 0.0000 52176.0442 -109290.3607 299.8564 -161466.4049 -108913.7232 299.1715 -46.0658 -21.6482 762991.5178 -6.4294 -6.2892 PRESSURE: 4614200 45.5201 -96.3745 115.241 -96.3738 -43.944 85.5068 115.242 85.5068 245.924 GPRESSURE: 4614200 84.8017 -32.1463 155.259 -123.336 28.1432 9.14054 65.7672 58.7557 216.712 PRESSAVG: 4614200 11.2996 -72.9314 -24.2744 -72.9314 -27.9353 -10.9776 -24.2745 -10.9776 -2.99075 GPRESSAVG: 4614200 11.5071 -72.1077 -22.889 -74.6228 -27.6506 -9.84884 -26.4287 -10.2118 -3.77647 TIMING: 4614200 CPU: 14410, 0.00308708/step Wall: 14410, 0.00308708/step, 0.330832 hours remaining, 235.296875 MB of memory in use. ENERGY: 4614200 4007.2097 20548.9154 14354.4640 242.3300 -203080.5307 2839.4222 0.0000 0.0000 52062.3424 -109025.8470 299.2030 -161088.1894 -108675.9834 299.5249 82.4999 109.8856 764000.1138 -6.5422 -6.6400 PRESSURE: 4614400 -143.138 26.1889 158.154 26.1887 146.644 -119.746 158.155 -119.745 -68.3628 GPRESSURE: 4614400 -113.433 92.0804 194.83 -94.0937 185.555 -220.605 101.317 -114.285 -31.4214 PRESSAVG: 4614400 -25.6777 -75.1944 28.7197 -75.1943 15.746 -4.51829 28.7196 -4.51821 -36.0766 GPRESSAVG: 4614400 -27.2147 -74.6578 29.4167 -77.5007 16.5238 -5.7359 28.4238 -4.10136 -35.5245 TIMING: 4614400 CPU: 14410.6, 0.00310114/step Wall: 14410.6, 0.00310113/step, 0.332166 hours remaining, 235.367188 MB of memory in use. ENERGY: 4614400 3921.9846 20371.3236 14392.8312 253.2821 -202962.8868 2709.5031 0.0000 0.0000 52433.9459 -108880.0164 301.3386 -161313.9622 -108518.0308 299.9856 -21.6190 13.5670 763894.9477 -15.3361 -15.4052 PRESSURE: 4614600 -154.982 1.57058 -138.173 1.57032 89.2055 8.38012 -138.173 8.38134 -382.421 GPRESSURE: 4614600 -125.215 -39.3774 -172.758 -102.527 127.046 -45.1488 -95.3454 -73.2478 -357.277 PRESSAVG: 4614600 -30.7532 -23.0548 -4.73097 -23.0547 32.5178 -8.14089 -4.73096 -8.14086 7.33186 GPRESSAVG: 4614600 -28.8368 -25.5603 -5.23096 -20.3391 32.2114 -7.70255 -3.59083 -9.89995 6.22226 TIMING: 4614600 CPU: 14411.2, 0.00309524/step Wall: 14411.2, 0.00309524/step, 0.331363 hours remaining, 235.367188 MB of memory in use. ENERGY: 4614600 4000.8857 20580.7799 14423.5189 260.3087 -202844.5712 2573.5097 0.0000 0.0000 52124.3316 -108881.2368 299.5592 -161005.5683 -108517.7176 299.9617 -149.3991 -118.4818 761431.3257 3.0322 3.1990 PRESSURE: 4614800 353.044 -41.7306 -43.5459 -41.7306 24.3356 -468.798 -43.5458 -468.798 183.206 GPRESSURE: 4614800 374.919 1.78322 64.507 0.378225 30.7719 -419.455 -220.51 -330.182 230.074 PRESSAVG: 4614800 -29.9879 9.57261 -19.3214 9.57259 29.3222 -54.8416 -19.3214 -54.8415 10.2827 GPRESSAVG: 4614800 -30.2555 8.86795 -17.5539 10.1545 29.4757 -53.0915 -21.2303 -52.8806 10.4535 TIMING: 4614800 CPU: 14411.9, 0.00307661/step Wall: 14411.9, 0.00307661/step, 0.329197 hours remaining, 235.367188 MB of memory in use. ENERGY: 4614800 4008.1033 20542.0501 14416.9454 268.8908 -202989.9023 2697.3012 0.0000 0.0000 51974.8635 -109081.7480 298.7003 -161056.6116 -108732.0273 299.9479 186.8615 211.9215 762041.5556 3.2057 3.2246 PRESSURE: 4615000 -430.427 137.671 399.849 137.671 -233.901 160.775 399.848 160.777 -69.8476 GPRESSURE: 4615000 -326.208 230.766 344.669 125.8 -274.801 71.742 270.923 94.5612 -42.1772 PRESSAVG: 4615000 -5.99405 -45.064 42.5345 -45.064 52.8736 18.9391 42.5345 18.9391 8.55462 GPRESSAVG: 4615000 -4.18556 -42.5347 40.8792 -46.2214 51.3901 17.5439 44.8214 19.7044 8.85152 TIMING: 4615000 CPU: 14412.5, 0.00309709/step Wall: 14412.5, 0.00309709/step, 0.331216 hours remaining, 235.367188 MB of memory in use. ENERGY: 4615000 4016.2475 20570.0267 14443.2057 253.5929 -202501.5221 2258.1942 0.0000 0.0000 51870.1380 -109090.1172 298.0984 -160960.2552 -108728.2767 299.1029 -244.7250 -214.3951 762994.7644 18.4781 18.6853 PRESSURE: 4615200 -360.653 -20.2463 -25.9755 -20.2462 -33.6033 -25.5924 -25.9764 -25.5918 -112.496 GPRESSURE: 4615200 -217.422 -54.1527 -28.5231 74.1307 -117.981 -10.0955 -77.6835 -49.9106 -89.836 PRESSAVG: 4615200 -39.1852 -54.4172 -8.91006 -54.4172 33.5885 59.6534 -8.91008 59.6534 37.8905 GPRESSAVG: 4615200 -39.2954 -57.0018 -8.352 -53.3273 35.0175 60.501 -9.96914 55.5891 36.8411 TIMING: 4615200 CPU: 14413.1, 0.00310494/step Wall: 14413.1, 0.00310494/step, 0.331884 hours remaining, 235.367188 MB of memory in use. ENERGY: 4615200 4058.1623 20488.7410 14387.0387 232.8894 -203576.1221 3111.9289 0.0000 0.0000 52112.6977 -109184.6640 299.4924 -161297.3617 -108829.2316 299.4232 -168.9177 -141.7463 761773.0654 10.7646 10.8544 PRESSURE: 4615400 118.01 106.249 29.6884 106.249 224.855 151.82 29.6885 151.821 -82.2618 GPRESSURE: 4615400 47.5047 -23.3182 -32.9035 56.5183 302.39 128.352 -3.59 122.076 -34.6767 PRESSAVG: 4615400 -49.3234 -41.8139 -17.8926 -41.8139 16.9615 6.27469 -17.8926 6.27475 -18.3395 GPRESSAVG: 4615400 -51.2024 -39.5348 -18.3364 -41.5979 16.9512 7.37909 -17.1983 6.40749 -17.2942 TIMING: 4615400 CPU: 14413.7, 0.00310442/step Wall: 14413.7, 0.00310442/step, 0.331656 hours remaining, 235.367188 MB of memory in use. ENERGY: 4615400 4052.1157 20357.8256 14383.4605 228.6249 -203707.0574 3082.3532 0.0000 0.0000 52381.6960 -109220.9814 301.0383 -161602.6775 -108861.7045 299.2786 86.8676 105.0727 761570.4740 -16.9005 -17.1818 PRESSURE: 4615600 66.5251 127.038 -151.963 127.039 291.635 -23.5158 -151.964 -23.517 -133.107 GPRESSURE: 4615600 110.843 110.214 -135.912 214.93 294.553 -102.016 -128.239 -39.653 -113.618 PRESSAVG: 4615600 -15.8521 -56.9495 16.2685 -56.9495 8.48737 -12.0164 16.2686 -12.0165 -9.52531 GPRESSAVG: 4615600 -13.8144 -57.3853 18.0122 -56.3897 7.16107 -11.4638 14.9038 -10.7242 -10.212 TIMING: 4615600 CPU: 14414.3, 0.00311441/step Wall: 14414.3, 0.00311441/step, 0.33255 hours remaining, 235.367188 MB of memory in use. ENERGY: 4615600 3954.8563 20658.8790 14458.1661 238.5193 -203364.4809 2848.7991 0.0000 0.0000 52211.0918 -108994.1695 300.0579 -161205.2613 -108638.2693 299.4236 75.0178 97.2593 763630.6346 -5.6300 -5.6218 PRESSURE: 4615800 55.6458 5.13285 323.095 5.13231 -114.903 -86.0549 323.095 -86.0536 -409.429 GPRESSURE: 4615800 89.552 23.9802 327.329 -90.3894 -84.3888 -75.1475 232.365 -30.2471 -379.264 PRESSAVG: 4615800 -11.6442 -18.0096 -34.3117 -18.0096 48.7705 -43.226 -34.3117 -43.226 -24.0927 GPRESSAVG: 4615800 -13.2899 -17.0491 -35.0244 -21.2034 50.4857 -44.2761 -32.9121 -42.5177 -23.9541 TIMING: 4615800 CPU: 14415, 0.00309454/step Wall: 14415, 0.00309454/step, 0.330256 hours remaining, 235.367188 MB of memory in use. ENERGY: 4615800 3984.3052 20552.5992 14456.1107 247.8992 -202919.7477 2546.5350 0.0000 0.0000 52228.3770 -108903.9214 300.1572 -161132.2984 -108548.7517 299.9554 -156.2287 -124.7003 763143.5952 4.3445 4.4139 PRESSURE: 4616000 -96.3058 -151.128 242.962 -151.128 -316.213 -25.4865 242.962 -25.4851 133.471 GPRESSURE: 4616000 -97.7197 -205.626 186.889 -257.779 -224.632 -34.7164 229.75 -35.4655 110.578 PRESSAVG: 4616000 -41.3675 -17.0768 48.1657 -17.0768 73.3789 -14.3444 48.1656 -14.3444 21.3178 GPRESSAVG: 4616000 -40.8851 -19.5496 48.5185 -14.594 72.8309 -14.4286 47.1931 -12.8561 21.21 TIMING: 4616000 CPU: 14415.6, 0.00311265/step Wall: 14415.6, 0.00311265/step, 0.332016 hours remaining, 235.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4616000 3975.5814 20614.4518 14384.0180 257.4979 -202809.9435 2615.2373 0.0000 0.0000 52044.3879 -108918.7691 299.0998 -160963.1570 -108549.7559 299.6750 -93.0161 -70.5912 762712.2865 17.7764 17.7186 PRESSURE: 4616200 -36.1566 -102.002 30.7387 -102.001 155.852 -118.792 30.7373 -118.791 196.404 GPRESSURE: 4616200 -24.7254 -48.622 56.7922 -189.896 286.677 26.8583 -77.7816 -88.315 135.601 PRESSAVG: 4616200 -31.1821 -63.2995 1.51174 -63.2996 59.2212 27.7636 1.51177 27.7636 5.3597 GPRESSAVG: 4616200 -31.0459 -62.4399 1.10341 -64.462 58.8892 26.1475 1.57432 26.782 5.56369 TIMING: 4616200 CPU: 14416.2, 0.00310734/step Wall: 14416.2, 0.00310734/step, 0.331277 hours remaining, 235.367188 MB of memory in use. ENERGY: 4616200 3920.8021 20604.1764 14401.5030 227.6964 -202794.1086 2612.0326 0.0000 0.0000 52093.8896 -108934.0085 299.3843 -161027.8980 -108578.1658 300.3247 105.3666 132.5173 763211.3978 11.1329 11.1357 LDB: ============= START OF LOAD BALANCING ============== 14428.7 LDB: ============== END OF LOAD BALANCING =============== 14428.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14428.7 LDB: ============= START OF LOAD BALANCING ============== 14429 LDB: Largest compute 7037 load 0.032593 is 16.7% of average load 0.195351 LDB: Average compute 0.004399 is 2.3% of average load 0.195351 LDB: TIME 14429 LOAD: AVG 0.195351 MAX 0.214901 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.262 MB LDB: TIME 14429 LOAD: AVG 0.195351 MAX 0.214901 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.262 MB LDB: TIME 14429 LOAD: AVG 0.195351 MAX 0.214901 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.262 MB LDB: ============== END OF LOAD BALANCING =============== 14429 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14429 PRESSURE: 4616400 253.021 -211.205 -270.637 -211.206 209.928 19.4949 -270.638 19.4949 37.6728 GPRESSURE: 4616400 141.238 -247.568 -312.169 -115.796 292.44 2.39357 -254.709 120.615 115.616 PRESSAVG: 4616400 -10.5404 -46.452 -7.80274 -46.452 21.2178 25.7095 -7.8027 25.7094 24.3718 GPRESSAVG: 4616400 -11.7744 -46.6508 -9.11114 -45.8094 21.7786 27.2817 -4.91384 24.049 24.8735 TIMING: 4616400 CPU: 14416.8, 0.00318391/step Wall: 14416.8, 0.00318391/step, 0.339263 hours remaining, 235.343750 MB of memory in use. ENERGY: 4616400 4003.6869 20663.1899 14408.9624 240.4487 -203276.3741 2893.2700 0.0000 0.0000 52037.2763 -109029.5400 299.0589 -161066.8163 -108685.7702 300.3021 166.8742 183.0981 762166.3886 11.6831 11.6259 PRESSURE: 4616600 15.0932 59.9709 80.4266 59.9696 304.965 107.214 80.4271 107.215 -57.9662 GPRESSURE: 4616600 13.4413 47.528 71.8307 159.517 374.889 84.8214 -3.27482 -11.8719 -38.3678 PRESSAVG: 4616600 -74.998 -55.0268 -21.6042 -55.0268 39.5905 -20.8256 -21.6042 -20.8256 -0.228655 GPRESSAVG: 4616600 -73.2853 -56.4304 -20.6335 -55.3083 39.3431 -21.8989 -25.006 -21.0482 -1.49619 TIMING: 4616600 CPU: 14417.5, 0.00310768/step Wall: 14417.5, 0.00310768/step, 0.330968 hours remaining, 235.343750 MB of memory in use. ENERGY: 4616600 3942.1807 20520.5720 14342.4578 259.2890 -203241.7511 2766.8946 0.0000 0.0000 52284.7803 -109125.5766 300.4814 -161410.3570 -108763.7292 300.0848 87.3640 116.6541 762240.3117 -11.8787 -11.8128 PRESSURE: 4616800 -194.688 156.659 37.5407 156.66 -184.447 48.6585 37.5409 48.659 -198.041 GPRESSURE: 4616800 -142.675 181.067 -1.04823 157.211 -150.312 -36.4057 -95.4903 76.4162 -201.256 PRESSAVG: 4616800 0.738345 -26.732 -18.7528 -26.732 -2.10409 32.1381 -18.7528 32.1381 12.5487 GPRESSAVG: 4616800 1.39084 -25.4448 -19.1981 -24.5109 -3.34899 32.5272 -18.5803 32.2487 13.6912 TIMING: 4616800 CPU: 14418.1, 0.00309827/step Wall: 14418.1, 0.00309827/step, 0.329794 hours remaining, 235.343750 MB of memory in use. ENERGY: 4616800 4024.3650 20413.6830 14404.4577 262.2990 -203109.8642 2774.4197 0.0000 0.0000 51958.2478 -109272.3920 298.6048 -161230.6399 -108907.9887 299.5900 -192.3919 -164.7478 761498.6942 3.7276 3.9110 PRESSURE: 4617000 -4.88121 -33.8248 -60.2466 -33.8253 257.176 32.7933 -60.2474 32.7941 93.1507 GPRESSURE: 4617000 35.2849 82.6033 -34.1765 -61.1765 275.493 -11.7183 -117.206 75.5373 146.814 PRESSAVG: 4617000 -17.6706 -30.5726 13.5284 -30.5726 -6.45952 -22.3764 13.5283 -22.3764 13.2642 GPRESSAVG: 4617000 -17.6948 -29.0898 15.2354 -31.7482 -5.8611 -22.7769 13.783 -21.0054 13.1889 TIMING: 4617000 CPU: 14418.7, 0.00310219/step Wall: 14418.7, 0.00310219/step, 0.330039 hours remaining, 235.941406 MB of memory in use. ENERGY: 4617000 3933.6636 20412.9251 14359.4797 251.3528 -203293.3454 2986.0915 0.0000 0.0000 52194.3981 -109155.4346 299.9619 -161349.8327 -108792.0024 299.3072 115.1485 152.5308 763482.2401 -3.6220 -3.4557 PRESSURE: 4617200 92.8059 -51.9851 -19.892 -51.9845 107.367 -69.9083 -19.8917 -69.9089 209.457 GPRESSURE: 4617200 94.1758 -104.266 -137.209 -162.723 156.86 -98.1267 6.95614 -142.554 230.402 PRESSAVG: 4617200 26.6345 -52.7087 -16.8107 -52.7086 -20.1927 -21.3242 -16.8108 -21.3241 19.5347 GPRESSAVG: 4617200 25.4421 -53.4003 -19.9646 -53.3698 -19.5238 -20.3968 -16.2281 -21.8553 20.3991 TIMING: 4617200 CPU: 14419.3, 0.00309356/step Wall: 14419.3, 0.00309356/step, 0.328948 hours remaining, 235.941406 MB of memory in use. ENERGY: 4617200 4001.4781 20627.3751 14458.7053 240.7610 -203814.5861 3258.9541 0.0000 0.0000 52180.2714 -109047.0412 299.8807 -161227.3126 -108674.7170 299.5903 136.5431 160.4793 763307.5683 8.6588 8.7725 PRESSURE: 4617400 61.849 130.287 170.515 130.288 -167.081 72.8618 170.515 72.8597 -22.8252 GPRESSURE: 4617400 67.4528 125.444 172.996 96.7564 -96.4642 -6.61901 151.379 97.3902 -28.5854 PRESSAVG: 4617400 -5.02742 -8.47189 -61.2031 -8.47186 -9.17851 0.712198 -61.2031 0.712195 -16.7295 GPRESSAVG: 4617400 -3.39769 -8.36697 -58.4776 -7.60479 -9.54366 1.79113 -62.0747 -0.256811 -17.7911 TIMING: 4617400 CPU: 14419.9, 0.00309538/step Wall: 14419.9, 0.00309538/step, 0.32897 hours remaining, 235.941406 MB of memory in use. ENERGY: 4617400 4055.0771 20498.6235 14507.0712 251.6333 -203322.7084 2809.9747 0.0000 0.0000 52134.7794 -109065.5492 299.6193 -161200.3286 -108697.2290 300.4049 -42.6856 -19.1989 764319.9138 -10.3118 -10.2442 PRESSURE: 4617600 272.973 238.105 -73.8365 238.105 323.582 1.77907 -73.8359 1.77885 138.165 GPRESSURE: 4617600 264.688 181.73 -121.02 331.409 303.494 34.982 -154.008 57.2561 263.064 PRESSAVG: 4617600 22.3609 -11.9808 -20.6182 -11.9807 19.9618 -15.1984 -20.6182 -15.1984 3.9326 GPRESSAVG: 4617600 22.2582 -10.9521 -20.7233 -12.6844 18.6971 -16.6795 -21.0322 -15.625 5.11293 TIMING: 4617600 CPU: 14420.6, 0.00311102/step Wall: 14420.6, 0.00311102/step, 0.330459 hours remaining, 235.941406 MB of memory in use. ENERGY: 4617600 3989.0290 20562.0206 14481.3144 265.6243 -203583.1294 3099.7138 0.0000 0.0000 52240.5915 -108944.8357 300.2274 -161185.4272 -108586.7336 299.9904 244.9067 277.0819 762591.0451 15.4184 15.3561 PRESSURE: 4617800 -239.449 -25.4177 -113.587 -25.4174 -327.23 -14.1152 -113.587 -14.117 -314.533 GPRESSURE: 4617800 -254.845 65.4855 -25.0515 -133.899 -256.284 -57.7961 -12.2587 -55.406 -281.013 PRESSAVG: 4617800 -48.0902 14.115 -30.5097 14.115 56.8971 -7.99395 -30.5098 -7.99391 19.112 GPRESSAVG: 4617800 -48.8328 12.4854 -30.4758 13.5148 58.1816 -6.85244 -28.3948 -8.24567 19.3075 TIMING: 4617800 CPU: 14421.2, 0.00310729/step Wall: 14421.2, 0.00310729/step, 0.32989 hours remaining, 235.941406 MB of memory in use. ENERGY: 4617800 3972.1143 20628.6991 14482.3049 229.0611 -202868.8273 2437.4797 0.0000 0.0000 52173.3137 -108945.8546 299.8408 -161119.1683 -108589.6757 300.0155 -293.7371 -264.0475 764569.9995 9.3063 9.5521 PRESSURE: 4618000 -51.6073 67.0408 -25.7844 67.04 20.5754 -144.118 -25.7837 -144.119 396.694 GPRESSURE: 4618000 -82.9731 104.763 41.3158 44.1153 118.801 -132.177 -36.9472 -125.188 414.741 PRESSAVG: 4618000 -67.4076 -6.59311 -11.0053 -6.59313 29.6848 -27.4263 -11.0052 -27.4264 -21.5742 GPRESSAVG: 4618000 -66.6659 -6.81201 -11.2607 -6.9098 30.409 -28.8346 -11.3537 -26.5174 -22.9364 TIMING: 4618000 CPU: 14421.8, 0.00310595/step Wall: 14421.8, 0.00310595/step, 0.329575 hours remaining, 235.941406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4618000 3955.7840 20583.3488 14662.3091 250.2540 -203675.8423 2927.1767 0.0000 0.0000 52423.9206 -108873.0491 301.2810 -161296.9697 -108518.9166 299.9135 121.8874 150.1897 763526.7656 -19.7656 -19.7311 PRESSURE: 4618200 408.635 -56.6287 -152.169 -56.6293 352.211 -46.7426 -152.169 -46.7427 645.755 GPRESSURE: 4618200 432.448 -84.2214 -222.06 -141.55 427.742 -74.1429 -103.882 -7.58733 598.992 PRESSAVG: 4618200 -6.57184 -21.1148 -32.8079 -21.1149 4.43139 -10.0331 -32.8079 -10.033 12.1814 GPRESSAVG: 4618200 -7.59434 -18.7433 -32.2823 -20.9756 4.94518 -10.6311 -34.7446 -8.67987 12.3148 TIMING: 4618200 CPU: 14422.4, 0.00310647/step Wall: 14422.4, 0.00310647/step, 0.329458 hours remaining, 235.941406 MB of memory in use. ENERGY: 4618200 3996.0307 20636.6570 14393.5386 260.3724 -203397.5495 3110.9144 0.0000 0.0000 52266.6529 -108733.3834 300.3772 -161000.0363 -108364.4624 300.2645 468.8670 486.3940 761791.9795 3.3470 3.2219 PRESSURE: 4618400 -272.287 26.0211 -128.889 26.0211 -223.456 96.8696 -128.888 96.8681 -290.343 GPRESSURE: 4618400 -203.979 -25.0603 -81.8879 8.85598 -193.436 120.565 69.6094 112.201 -292.936 PRESSAVG: 4618400 -25.5704 -2.78196 -39.4364 -2.78197 26.2076 1.89505 -39.4364 1.89502 22.4336 GPRESSAVG: 4618400 -25.4511 -4.86365 -40.9538 -1.60091 25.902 3.95141 -38.0556 -0.22373 22.7405 TIMING: 4618400 CPU: 14423, 0.00311527/step Wall: 14423, 0.00311527/step, 0.330219 hours remaining, 235.941406 MB of memory in use. ENERGY: 4618400 4065.9252 20489.0904 14527.4137 262.6695 -203372.1598 2956.4649 0.0000 0.0000 52387.8426 -108682.7534 301.0737 -161070.5960 -108319.5769 300.3020 -262.0284 -230.1170 764535.3327 7.6902 7.7305 PRESSURE: 4618600 178.636 -160.563 183.028 -160.564 42.196 -132.333 183.028 -132.332 174.764 GPRESSURE: 4618600 299.604 -201.556 117.349 46.277 70.2662 -134.149 100.869 8.78517 130.343 PRESSAVG: 4618600 -79.4655 -32.5173 3.32167 -32.5174 78.1146 -22.6156 3.32168 -22.6156 -21.1412 GPRESSAVG: 4618600 -78.2836 -32.8884 3.49137 -32.6113 78.0708 -25.4354 2.54225 -21.1591 -21.8081 TIMING: 4618600 CPU: 14423.7, 0.00309458/step Wall: 14423.7, 0.00309458/step, 0.327854 hours remaining, 235.941406 MB of memory in use. ENERGY: 4618600 4033.2002 20606.1394 14595.6536 227.1107 -202953.3709 2665.3444 0.0000 0.0000 52163.3110 -108662.6116 299.7833 -160825.9226 -108295.6263 300.5262 131.8653 166.7378 762946.7470 -7.4974 -7.3403 PRESSURE: 4618800 -319.004 32.08 -78.4113 32.0803 -166.99 -253.435 -78.4121 -253.435 -243.9 GPRESSURE: 4618800 -265.505 -28.3525 -24.6854 99.6752 -195.905 -183.253 -99.9822 -246.46 -190.739 PRESSAVG: 4618800 44.1222 -18.8596 -27.8294 -18.8596 -7.90371 -33.2357 -27.8294 -33.2358 -13.5703 GPRESSAVG: 4618800 43.2486 -18.7862 -27.2949 -18.5824 -7.91118 -30.5737 -26.6757 -34.6627 -13.0831 TIMING: 4618800 CPU: 14424.3, 0.00310447/step Wall: 14424.3, 0.00310447/step, 0.328729 hours remaining, 235.941406 MB of memory in use. ENERGY: 4618800 3925.5883 20611.9441 14554.5303 235.0100 -202634.6105 2455.6906 0.0000 0.0000 51852.4560 -108999.3912 297.9968 -160851.8472 -108636.7047 299.8984 -243.2981 -217.3829 763903.3242 7.5494 7.4181 PRESSURE: 4619000 -122.269 118.798 143.499 118.799 34.7349 -107.648 143.498 -107.648 121.271 GPRESSURE: 4619000 -44.4192 169.664 188.927 63.3406 25.7491 -64.5759 33.8894 -168.754 131.195 PRESSAVG: 4619000 6.69799 -3.50398 -22.2063 -3.50395 19.3169 3.36228 -22.2063 3.36227 -10.6707 GPRESSAVG: 4619000 6.96951 -1.81292 -21.4197 -4.31019 19.9836 3.62245 -24.9988 2.00958 -11.2906 TIMING: 4619000 CPU: 14424.9, 0.00311337/step Wall: 14424.9, 0.00311337/step, 0.329498 hours remaining, 235.941406 MB of memory in use. ENERGY: 4619000 4019.1837 20697.9501 14451.9140 249.7447 -203149.5591 2655.4224 0.0000 0.0000 52094.4475 -108980.8968 299.3875 -161075.3443 -108624.8222 299.4924 11.2457 37.5084 762574.6449 5.1147 5.2208 PRESSURE: 4619200 -76.7517 -113.873 -171.123 -113.873 33.5639 -163.891 -171.123 -163.892 358.56 GPRESSURE: 4619200 -97.6153 -172.41 -170.005 -86.8457 148.655 -115.111 -194.659 -343.709 326.306 PRESSAVG: 4619200 -42.5771 -71.7549 -15.1883 -71.7548 42.3105 -74.9617 -15.1883 -74.9617 7.2396 GPRESSAVG: 4619200 -44.0673 -71.6329 -15.9511 -72.6854 43.283 -74.7617 -14.0715 -74.0288 7.55397 TIMING: 4619200 CPU: 14425.5, 0.00311562/step Wall: 14425.5, 0.00311562/step, 0.329564 hours remaining, 235.941406 MB of memory in use. ENERGY: 4619200 4022.8759 20515.3081 14500.8098 252.0033 -203028.0204 2582.8936 0.0000 0.0000 51911.0935 -109243.0364 298.3338 -161154.1299 -108878.2174 299.3515 105.1240 125.7818 762865.4514 2.3243 2.2565 PRESSURE: 4619400 -226.581 -8.82445 -236.642 -8.82448 357.924 -191.683 -236.642 -191.683 -179.157 GPRESSURE: 4619400 -195.894 -113.111 -146.948 36.3373 335.196 -129.336 -265.363 -86.4283 -111.345 PRESSAVG: 4619400 -7.26097 -2.19174 -4.05419 -2.1917 -6.62499 -58.3146 -4.05424 -58.3147 12.3961 GPRESSAVG: 4619400 -6.47941 -4.70549 -2.80341 -0.335916 -7.14531 -59.1735 -4.3822 -58.1034 12.1409 TIMING: 4619400 CPU: 14426.2, 0.00311059/step Wall: 14426.2, 0.00311059/step, 0.328858 hours remaining, 235.941406 MB of memory in use. ENERGY: 4619400 4003.6922 20506.4018 14482.3415 248.1864 -203455.1512 2934.0257 0.0000 0.0000 52116.1618 -109164.3418 299.5123 -161280.5036 -108790.0774 299.2913 -15.9382 9.3190 764488.9812 -0.4966 -0.4946 PRESSURE: 4619600 10.0449 146.726 -19.3911 146.726 139.908 5.36714 -19.3913 5.36747 17.9302 GPRESSURE: 4619600 -16.2233 -22.2244 101.909 212.944 166.979 -80.3939 16.1824 -14.258 87.347 PRESSAVG: 4619600 -5.287 -17.6741 15.9293 -17.6742 -2.17624 -11.2945 15.9292 -11.2944 -12.2356 GPRESSAVG: 4619600 -6.031 -16.8007 15.4883 -18.3602 -1.47317 -11.4789 17.5455 -11.382 -11.6144 TIMING: 4619600 CPU: 14426.8, 0.00308969/step Wall: 14426.8, 0.00308969/step, 0.326477 hours remaining, 235.941406 MB of memory in use. ENERGY: 4619600 3885.9844 20539.4036 14487.8660 256.9694 -203381.5421 2703.3062 0.0000 0.0000 52197.2298 -109310.7827 299.9782 -161508.0125 -108956.5203 299.1075 55.9610 79.3676 762197.0608 -6.5663 -6.3728 PRESSURE: 4619800 99.0756 -66.6807 63.8534 -66.6811 84.9342 75.4362 63.8537 75.4362 70.0014 GPRESSURE: 4619800 152.665 15.3572 -37.5605 -10.4839 90.6057 134.939 24.3793 37.7405 94.2896 PRESSAVG: 4619800 7.58102 -51.1203 4.81428 -51.1203 -14.0884 4.02701 4.81429 4.0271 -12.6922 GPRESSAVG: 4619800 9.00539 -49.5181 5.36496 -51.6864 -15.2646 3.9596 3.13296 2.22386 -13.0379 TIMING: 4619800 CPU: 14427.4, 0.00309276/step Wall: 14427.4, 0.00309276/step, 0.32663 hours remaining, 235.941406 MB of memory in use. ENERGY: 4619800 3988.6147 20473.2596 14483.1871 238.4128 -203223.9459 2588.2818 0.0000 0.0000 52047.4511 -109404.7388 299.1174 -161452.1899 -109047.8745 299.1012 84.6704 112.5200 761188.9751 -6.3999 -6.4324 PRESSURE: 4620000 -296.417 373.908 -157.132 373.907 229.697 -4.33331 -157.132 -4.33334 281.749 GPRESSURE: 4620000 -200.265 306.763 -143.486 434.303 215.445 26.3714 -90.113 -98.4438 296.734 PRESSAVG: 4620000 -4.83433 -16.8868 -9.0551 -16.8868 -15.4774 -8.85817 -9.05513 -8.85817 11.2012 GPRESSAVG: 4620000 -5.11858 -17.4035 -12.1464 -16.8412 -15.6815 -9.64956 -8.08208 -7.97547 11.3709 TIMING: 4620000 CPU: 14428, 0.0031053/step Wall: 14428, 0.0031053/step, 0.327782 hours remaining, 235.941406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4620000 4018.8973 20561.8753 14515.6984 264.3164 -203426.5283 2883.6020 0.0000 0.0000 51799.9924 -109382.1465 297.6953 -161182.1390 -109015.2445 298.7712 71.6762 103.9711 763446.2926 -3.0369 -3.1431 PRESSURE: 4620200 358.154 -22.8751 -285.88 -22.8763 -9.79246 184.629 -285.881 184.628 -163.772 GPRESSURE: 4620200 369.164 -36.9449 -333.676 -149.738 60.0116 220.505 -66.6767 154.011 -156.8 PRESSAVG: 4620200 -2.61744 4.56763 -39.3443 4.56764 27.0005 39.0099 -39.3443 39.0098 32.3591 GPRESSAVG: 4620200 -4.22384 3.79201 -37.1933 5.1249 27.6082 39.554 -39.4988 40.4142 32.9058 TIMING: 4620200 CPU: 14428.6, 0.00309616/step Wall: 14428.6, 0.00309616/step, 0.326645 hours remaining, 235.941406 MB of memory in use. ENERGY: 4620200 3905.0835 20488.7011 14485.2706 246.8778 -203574.2784 2900.1376 0.0000 0.0000 52187.9084 -109360.2993 299.9246 -161548.2078 -108990.6121 298.8245 61.5299 90.7917 761254.5156 18.9140 18.7634 LDB: ============= START OF LOAD BALANCING ============== 14441.1 LDB: ============== END OF LOAD BALANCING =============== 14441.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14441.1 LDB: ============= START OF LOAD BALANCING ============== 14441.4 LDB: Largest compute 7026 load 0.033115 is 17.0% of average load 0.195214 LDB: Average compute 0.004414 is 2.3% of average load 0.195214 LDB: TIME 14441.4 LOAD: AVG 0.195214 MAX 0.214993 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.238 MB LDB: TIME 14441.4 LOAD: AVG 0.195214 MAX 0.214993 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.242 MB LDB: TIME 14441.4 LOAD: AVG 0.195214 MAX 0.214993 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.242 MB LDB: ============== END OF LOAD BALANCING =============== 14441.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14441.4 PRESSURE: 4620400 -120.14 230.066 154.304 230.066 -44.7559 -199.994 154.305 -199.995 -43.9756 GPRESSURE: 4620400 -70.8824 224.712 199.225 170.708 24.8352 -228.322 24.1855 -146.789 -78.8183 PRESSAVG: 4620400 -16.7034 -0.677406 -18.9848 -0.677392 2.21191 52.1572 -18.9848 52.1572 2.88482 GPRESSAVG: 4620400 -15.7395 0.206273 -19.8801 -0.0697101 1.71657 51.9239 -18.4097 52.2909 2.13253 TIMING: 4620400 CPU: 14429.3, 0.00316181/step Wall: 14429.3, 0.00316181/step, 0.333396 hours remaining, 234.574219 MB of memory in use. ENERGY: 4620400 3937.2435 20636.3185 14555.4284 246.7055 -203415.2520 2634.3096 0.0000 0.0000 52153.1789 -109252.0677 299.7250 -161405.2465 -108894.6596 299.6268 -69.6239 -41.6219 761740.6777 -3.8689 -3.9635 PRESSURE: 4620600 -257.517 82.9385 -39.695 82.9383 -301.443 -303.022 -39.6944 -303.022 20.8898 GPRESSURE: 4620600 -201.532 46.7881 -35.3923 -4.01429 -275.193 -400.639 -120.952 -152.389 27.5398 PRESSAVG: 4620600 19.6993 -4.84041 34.9858 -4.8405 23.1235 28.0067 34.9857 28.0067 6.40398 GPRESSAVG: 4620600 18.6801 -6.19757 34.8267 -5.16222 22.9306 27.3244 33.388 27.2088 7.38953 TIMING: 4620600 CPU: 14429.9, 0.00310497/step Wall: 14429.9, 0.00310497/step, 0.32723 hours remaining, 235.300781 MB of memory in use. ENERGY: 4620600 3991.9993 20475.7116 14517.1755 240.0296 -203408.3218 2881.0527 0.0000 0.0000 51917.0367 -109385.3164 298.3679 -161302.3531 -109015.4488 299.6311 -179.3569 -149.7283 761902.0008 16.4089 16.3334 PRESSURE: 4620800 -67.9554 -173.406 230.7 -173.406 107.366 62.4414 230.699 62.4405 134.647 GPRESSURE: 4620800 -6.65041 -52.8069 331.312 -47.9898 102.952 73.5148 278.237 65.4368 175.111 PRESSAVG: 4620800 37.0875 -29.6001 6.02179 -29.6001 -38.3988 -15.1041 6.02181 -15.104 14.2022 GPRESSAVG: 4620800 38.8377 -28.457 6.73568 -28.3301 -38.2594 -14.1312 8.53047 -14.3042 13.1163 TIMING: 4620800 CPU: 14430.5, 0.00310654/step Wall: 14430.5, 0.00310654/step, 0.327223 hours remaining, 235.300781 MB of memory in use. ENERGY: 4620800 3979.4710 20417.0783 14442.0154 225.7149 -203939.2525 3113.8145 0.0000 0.0000 52239.7426 -109521.4158 300.2225 -161761.1584 -109155.8375 298.7273 58.0190 90.4709 763004.1195 4.2970 4.5649 PRESSURE: 4621000 -96.9742 -65.8411 -207.855 -65.8415 -67.2471 -101.811 -207.854 -101.811 -25.5686 GPRESSURE: 4621000 -68.1082 -93.3015 -290.95 -191.318 -62.0738 -121.24 -55.3839 -128.204 23.9099 PRESSAVG: 4621000 18.5236 -50.7895 42.3645 -50.7895 15.2244 0.255072 42.3645 0.255068 2.96597 GPRESSAVG: 4621000 18.2606 -50.3709 41.9164 -53.9555 16.3863 1.28785 42.9048 0.183613 2.48041 TIMING: 4621000 CPU: 14431.1, 0.00309441/step Wall: 14431.1, 0.00309441/step, 0.325772 hours remaining, 235.503906 MB of memory in use. ENERGY: 4621000 4026.6747 20444.5078 14402.1609 232.2740 -203320.4039 2712.5994 0.0000 0.0000 52025.4667 -109476.7202 298.9911 -161502.1870 -109117.9374 298.7543 -63.2633 -35.4240 761688.3690 12.2380 12.3758 PRESSURE: 4621200 -39.4047 79.5973 -96.9026 79.5979 -190.46 0.432893 -96.9022 0.433069 -131.9 GPRESSURE: 4621200 -1.40755 91.8102 -92.9077 -54.8493 -165.157 -27.7627 -185.065 33.9888 -97.2456 PRESSAVG: 4621200 -30.7036 -0.656591 -33.9367 -0.656588 -5.5996 -18.8328 -33.9367 -18.833 6.63947 GPRESSAVG: 4621200 -30.7893 -3.04862 -33.9071 0.959219 -6.97305 -19.7692 -33.8659 -19.8918 8.2589 TIMING: 4621200 CPU: 14431.7, 0.00310765/step Wall: 14431.7, 0.00310765/step, 0.326994 hours remaining, 235.503906 MB of memory in use. ENERGY: 4621200 4043.1952 20379.5889 14487.8475 248.4662 -203129.5539 2480.1003 0.0000 0.0000 52088.2080 -109402.1479 299.3516 -161490.3558 -109036.5466 298.7841 -120.5884 -87.9369 763111.5829 -9.8879 -9.8345 PRESSURE: 4621400 -6.27658 52.6701 -82.0317 52.6706 89.4979 131.563 -82.0317 131.562 142.14 GPRESSURE: 4621400 -17.6858 51.9618 -111.086 -66.0754 157.859 157.168 -47.0072 -75.2356 158.951 PRESSAVG: 4621400 25.5853 -46.4045 -77.0116 -46.4045 -37.8929 16.2315 -77.0117 16.2314 -5.12147 GPRESSAVG: 4621400 26.6965 -43.671 -75.9017 -47.6445 -38.2124 15.1903 -77.2882 16.4001 -5.35794 TIMING: 4621400 CPU: 14432.4, 0.00310009/step Wall: 14432.4, 0.00310009/step, 0.326027 hours remaining, 235.503906 MB of memory in use. ENERGY: 4621400 3894.2009 20389.5075 14499.5608 225.6406 -202786.0275 2505.3436 0.0000 0.0000 51888.6567 -109383.1174 298.2048 -161271.7741 -109019.0044 298.9491 75.1206 99.7080 763313.5358 -5.8097 -5.6246 PRESSURE: 4621600 -277.095 -25.2806 70.6989 -25.2802 -170.506 -305.018 70.6992 -305.018 -368.65 GPRESSURE: 4621600 -216.374 65.2468 138.506 -153.456 -159.75 -336.857 80.6871 -216.487 -355.215 PRESSAVG: 4621600 -67.8442 10.8413 -94.5163 10.8413 26.5423 41.081 -94.5163 41.0811 -2.81704 GPRESSAVG: 4621600 -68.8227 9.91142 -95.1206 9.91447 26.8445 42.3613 -95.2032 40.2318 -2.2737 TIMING: 4621600 CPU: 14433, 0.00310539/step Wall: 14433, 0.00310539/step, 0.326411 hours remaining, 235.503906 MB of memory in use. ENERGY: 4621600 4002.6744 20456.6651 14485.6370 243.5737 -202995.8473 2470.1809 0.0000 0.0000 52153.5385 -109183.5777 299.7271 -161337.1162 -108832.6977 298.5024 -272.0836 -243.7793 764572.1680 -14.7063 -14.7506 PRESSURE: 4621800 -466.159 23.1152 102.475 23.1149 273.531 -122.105 102.474 -122.104 166.939 GPRESSURE: 4621800 -377.666 97.8996 83.6742 45.2799 269.769 -116.759 13.8394 -47.0285 167.705 PRESSAVG: 4621800 -12.0862 13.2942 3.30757 13.2941 23.0277 -39.0061 3.30755 -39.006 -14.7366 GPRESSAVG: 4621800 -11.9919 13.3471 2.69261 13.8137 22.7043 -37.9442 1.00931 -38.8286 -14.8332 TIMING: 4621800 CPU: 14433.6, 0.00309258/step Wall: 14433.6, 0.00309258/step, 0.324893 hours remaining, 235.492188 MB of memory in use. ENERGY: 4621800 3969.7442 20382.6741 14507.3851 242.1709 -203209.6813 2649.1835 0.0000 0.0000 52004.4940 -109454.0294 298.8705 -161458.5235 -109098.5002 298.9117 -8.5631 19.9358 762649.8858 -1.2650 -1.3736 PRESSURE: 4622000 44.1123 -167.2 -142.463 -167.199 -19.7584 -185.201 -142.463 -185.201 -222.908 GPRESSURE: 4622000 4.60086 -188.926 -116.778 -77.4065 11.2389 -149.898 -147.521 -41.1168 -110.772 PRESSAVG: 4622000 -13.7941 9.27484 -8.00818 9.27478 -49.0511 13.3504 -8.00818 13.3504 6.93222 GPRESSAVG: 4622000 -13.6041 8.90343 -6.51258 11.9203 -48.1052 12.7692 -5.48344 13.142 6.10869 TIMING: 4622000 CPU: 14434.2, 0.00309571/step Wall: 14434.2, 0.00309571/step, 0.325049 hours remaining, 235.492188 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: 4622000 4013.1996 20398.7472 14440.7485 241.3779 -203520.5536 2704.8889 0.0000 0.0000 52152.1512 -109569.4403 299.7191 -161721.5916 -109203.7700 298.5242 -66.1847 -31.6441 763204.1688 -18.6376 -18.5335 PRESSURE: 4622200 -177.472 -211.138 46.7738 -211.139 -89.4798 -87.3456 46.7725 -87.3453 100.291 GPRESSURE: 4622200 -60.3331 -120.949 -10.2987 -76.2523 -83.8795 -42.8186 72.9495 -124.608 75.2333 PRESSAVG: 4622200 -10.6545 -20.52 -5.22745 -20.5201 2.49115 47.0272 -5.22746 47.0273 -11.6906 GPRESSAVG: 4622200 -10.1572 -18.5394 -3.54525 -23.0798 1.61153 47.498 -4.92368 48.1177 -10.9851 TIMING: 4622200 CPU: 14434.8, 0.0031054/step Wall: 14434.8, 0.0031054/step, 0.325894 hours remaining, 235.492188 MB of memory in use. ENERGY: 4622200 3957.7655 20416.7422 14500.3066 256.7199 -203349.8684 2973.4108 0.0000 0.0000 51725.0327 -109519.8906 297.2645 -161244.9233 -109165.3654 298.5295 -55.5534 -22.9931 763553.4593 -6.6180 -6.5103 PRESSURE: 4622400 -189.073 105.872 84.9246 105.872 159.579 183.453 84.9245 183.454 -218.794 GPRESSURE: 4622400 -195.592 165.099 154.118 64.0481 198.061 165.477 106.866 130.039 -172.873 PRESSAVG: 4622400 17.4082 -1.57601 3.56619 -1.576 -23.3094 11.0576 3.56615 11.0577 -6.43124 GPRESSAVG: 4622400 17.4862 -3.51801 -0.278778 0.1404 -22.5357 10.7586 1.55553 11.6433 -7.69844 TIMING: 4622400 CPU: 14435.5, 0.00310764/step Wall: 14435.5, 0.00310764/step, 0.325957 hours remaining, 235.492188 MB of memory in use. ENERGY: 4622400 3991.6335 20348.4643 14563.6142 248.4688 -203818.4522 3004.9643 0.0000 0.0000 52152.5381 -109508.7691 299.7214 -161661.3072 -109143.3135 298.8117 -82.7627 -56.8015 763722.7548 -4.1108 -4.2493 PRESSURE: 4622600 -218.085 -116.414 113.714 -116.413 -107.769 -37.4568 113.713 -37.4573 -229.713 GPRESSURE: 4622600 -196.844 -124.135 105.162 -131.294 -111.57 -12.4092 71.7402 -48.1557 -179.268 PRESSAVG: 4622600 -13.6023 -37.1821 -11.3744 -37.1821 2.01899 -0.786389 -11.3744 -0.786434 -4.25408 GPRESSAVG: 4622600 -14.6265 -36.3741 -9.95521 -37.2594 1.22881 0.718667 -9.98566 -2.20713 -2.8104 TIMING: 4622600 CPU: 14436.1, 0.00310068/step Wall: 14436.1, 0.00310068/step, 0.325055 hours remaining, 235.503906 MB of memory in use. ENERGY: 4622600 3927.3894 20629.3510 14428.4641 234.2814 -203206.1881 2599.4242 0.0000 0.0000 51950.0841 -109437.1938 298.5578 -161387.2779 -109076.7436 298.8150 -185.1893 -162.5605 763723.3851 -5.2791 -5.4027 PRESSURE: 4622800 -204.011 -105.841 1.6335 -105.841 -253.029 110.437 1.63329 110.438 -144.786 GPRESSURE: 4622800 -194.587 -89.5781 3.91166 -86.1793 -235.771 184.736 -17.1631 -93.4274 -98.854 PRESSAVG: 4622800 -5.85863 -37.4447 82.6262 -37.4447 -19.3792 -27.2306 82.6262 -27.2306 -0.234472 GPRESSAVG: 4622800 -6.8739 -39.6704 83.3165 -36.4979 -18.5408 -29.4981 82.0651 -28.7783 -0.231232 TIMING: 4622800 CPU: 14436.7, 0.00309483/step Wall: 14436.7, 0.00309483/step, 0.324269 hours remaining, 235.503906 MB of memory in use. ENERGY: 4622800 3941.0745 20428.9657 14404.5085 241.6041 -202917.6362 2302.1919 0.0000 0.0000 51988.0931 -109611.1984 298.7763 -161599.2915 -109243.4976 298.5293 -200.6088 -176.4041 762905.0781 -8.4908 -8.5487 PRESSURE: 4623000 276.364 -184.587 17.4709 -184.587 203.853 -89.9394 17.4706 -89.9395 52.6844 GPRESSURE: 4623000 329.404 -298.266 -56.6828 -183.501 188.059 -46.0457 2.45539 76.1214 123.476 PRESSAVG: 4623000 16.489 -36.6342 16.4225 -36.6342 -47.6656 -33.166 16.4225 -33.1661 12.1546 GPRESSAVG: 4623000 17.6828 -34.6453 15.251 -38.7824 -49.2523 -31.8178 17.1937 -31.0665 12.9574 TIMING: 4623000 CPU: 14437.3, 0.00310502/step Wall: 14437.3, 0.00310502/step, 0.325164 hours remaining, 235.503906 MB of memory in use. ENERGY: 4623000 3916.3429 20355.0093 14407.0071 247.7957 -203933.5791 3159.9383 0.0000 0.0000 51828.5249 -110018.9609 297.8592 -161847.4857 -109654.0482 297.8669 177.6338 213.6464 761524.9495 -6.3407 -6.2040 PRESSURE: 4623200 -336.995 26.4173 92.0319 26.4171 -172.757 -236.846 92.0314 -236.846 -12.3585 GPRESSURE: 4623200 -212.579 -50.4605 116.921 92.7239 -212.087 -339.765 -41.809 -267.043 2.9408 PRESSAVG: 4623200 44.5086 -57.5466 2.90904 -57.5466 2.34813 -8.53489 2.90906 -8.5349 -27.3282 GPRESSAVG: 4623200 43.9176 -57.4813 4.21862 -55.5045 4.02873 -8.96102 3.50629 -7.12224 -28.4213 TIMING: 4623200 CPU: 14437.9, 0.00309777/step Wall: 14437.9, 0.00309777/step, 0.324233 hours remaining, 235.503906 MB of memory in use. ENERGY: 4623200 3933.0992 20380.3740 14384.4500 227.9704 -203227.0487 2588.2609 0.0000 0.0000 51688.5458 -110024.3483 297.0548 -161712.8941 -109667.8730 297.6737 -174.0365 -140.5749 761772.9309 6.5095 6.5083 PRESSURE: 4623400 114.391 114.261 147.225 114.26 83.6117 42.2931 147.226 42.2931 197.489 GPRESSURE: 4623400 181.146 124.944 212.657 101.99 90.4213 1.72273 127.995 51.8517 210.62 PRESSAVG: 4623400 71.5618 4.07633 11.0552 4.07641 -16.8424 28.5055 11.0552 28.5055 -4.03327 GPRESSAVG: 4623400 72.2552 4.18992 10.481 2.0996 -16.8378 26.6139 10.4797 27.393 -4.99872 TIMING: 4623400 CPU: 14438.6, 0.00309389/step Wall: 14438.6, 0.00309389/step, 0.323655 hours remaining, 235.503906 MB of memory in use. ENERGY: 4623400 3919.2742 20333.7059 14383.7613 237.1123 -203120.2563 2363.8141 0.0000 0.0000 52045.4022 -109837.1863 299.1056 -161882.5885 -109475.9943 297.8755 131.8306 160.7289 761628.0271 16.8954 16.8062 PRESSURE: 4623600 -103.388 -140.696 119.638 -140.695 -407.321 67.6744 119.638 67.6752 -242.894 GPRESSURE: 4623600 16.1087 -116.554 53.4378 -91.6785 -405.524 27.6534 149.123 73.0922 -281.962 PRESSAVG: 4623600 19.8225 -78.9031 -19.1491 -78.9031 -30.4533 -7.89218 -19.1492 -7.89221 15.6891 GPRESSAVG: 4623600 19.9611 -79.2943 -18.4921 -77.7069 -31.4866 -5.55741 -19.0583 -7.33309 16.8311 TIMING: 4623600 CPU: 14439.2, 0.00309691/step Wall: 14439.2, 0.00309691/step, 0.323799 hours remaining, 235.503906 MB of memory in use. ENERGY: 4623600 3942.0618 20351.6389 14426.3386 233.7083 -203401.4347 2622.1838 0.0000 0.0000 51734.2621 -110091.2412 297.3175 -161825.5033 -109731.0433 297.9333 -251.2007 -223.7923 763309.3816 1.6861 1.7685 PRESSURE: 4623800 146.616 -41.8851 194.258 -41.8853 75.3577 -110.972 194.258 -110.973 52.1724 GPRESSURE: 4623800 133.293 -53.8594 270.755 -61.6991 119.493 -203.838 44.8 -59.7126 110.401 PRESSAVG: 4623800 -1.32117 -37.3638 68.6918 -37.3637 -11.087 23.5354 68.6917 23.5354 -19.6859 GPRESSAVG: 4623800 -1.28758 -36.4294 67.4976 -37.3665 -11.3356 22.9751 69.5759 23.4894 -19.6755 TIMING: 4623800 CPU: 14439.8, 0.00310356/step Wall: 14439.8, 0.00310356/step, 0.324322 hours remaining, 235.503906 MB of memory in use. ENERGY: 4623800 3912.5094 20402.5715 14402.5955 256.0124 -203697.8858 2783.5571 0.0000 0.0000 51728.3032 -110212.3367 297.2833 -161940.6399 -109857.4077 297.3954 91.3820 121.0623 763105.0684 -10.6980 -10.7662 PRESSURE: 4624000 -119.407 18.5923 336.869 18.5927 -0.651586 135.131 336.869 135.131 145.752 GPRESSURE: 4624000 -74.3333 -51.0543 293.645 -41.5371 50.8965 66.1719 208.233 61.9643 123.427 PRESSAVG: 4624000 23.858 -10.5208 77.6147 -10.5208 -23.2815 -20.8125 77.6147 -20.8124 -3.69556 GPRESSAVG: 4624000 24.3033 -10.9747 77.1292 -12.0793 -24.1398 -21.7441 76.637 -20.7555 -3.36379 TIMING: 4624000 CPU: 14440.4, 0.00308541/step Wall: 14440.4, 0.00308541/step, 0.322254 hours remaining, 235.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4624000 3879.2346 20506.4093 14434.5878 263.2178 -203645.5023 2669.5300 0.0000 0.0000 51859.2081 -110033.3147 298.0356 -161892.5227 -109683.0940 297.2423 8.5645 33.3302 761010.9124 -1.0397 -1.0668 PRESSURE: 4624200 -382.4 -18.8587 -111.117 -18.859 162.038 49.3828 -111.117 49.3824 -18.0893 GPRESSURE: 4624200 -280.38 -23.4919 -53.6504 -42.3154 224.424 155.667 -97.9482 -122.482 -120.465 PRESSAVG: 4624200 9.08004 -10.2242 -33.0938 -10.2242 1.39114 -18.229 -33.0938 -18.2289 20.5101 GPRESSAVG: 4624200 8.72121 -11.5783 -31.5538 -9.62132 3.01363 -17.3244 -31.9577 -20.7971 19.2971 TIMING: 4624200 CPU: 14441, 0.00312117/step Wall: 14441, 0.00312117/step, 0.325816 hours remaining, 235.503906 MB of memory in use. ENERGY: 4624200 4022.6137 20298.7374 14480.9146 227.2805 -203518.8741 2732.9968 0.0000 0.0000 51664.9521 -110091.3790 296.9192 -161756.3311 -109731.0455 297.7595 -79.4839 -58.8068 761994.5344 10.3271 10.3440 LDB: ============= START OF LOAD BALANCING ============== 14453.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14453.5 LDB: =============== DONE WITH MIGRATION ================ 14453.5 LDB: ============= START OF LOAD BALANCING ============== 14453.8 LDB: Largest compute 7037 load 0.032787 is 16.8% of average load 0.195290 LDB: Average compute 0.004395 is 2.3% of average load 0.195290 LDB: TIME 14453.8 LOAD: AVG 0.19529 MAX 0.213299 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.613 MB LDB: TIME 14453.8 LOAD: AVG 0.19529 MAX 0.213299 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.82 MB LDB: TIME 14453.8 LOAD: AVG 0.19529 MAX 0.213299 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.82 MB LDB: ============== END OF LOAD BALANCING =============== 14453.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14453.9 PRESSURE: 4624400 -349.329 65.2936 -112.288 65.2943 -593.86 88.7983 -112.289 88.7981 -816.202 GPRESSURE: 4624400 -408.065 -34.4175 -80.8819 181.521 -465.467 103.339 -134.044 124.048 -790.073 PRESSAVG: 4624400 -27.3918 -45.1899 -23.6658 -45.1898 63.2885 29.3664 -23.6658 29.3663 3.22223 GPRESSAVG: 4624400 -28.3406 -45.1461 -24.4232 -43.6881 63.1366 30.722 -24.2306 31.6522 4.41719 TIMING: 4624400 CPU: 14441.7, 0.00319706/step Wall: 14441.7, 0.00319706/step, 0.33356 hours remaining, 234.261719 MB of memory in use. ENERGY: 4624400 3942.8216 20397.1255 14537.9443 231.6599 -203780.9209 2750.5168 0.0000 0.0000 52055.9842 -109864.8687 299.1665 -161920.8529 -109510.8819 297.7174 -586.4636 -554.5350 762562.1465 13.0396 13.0711 PRESSURE: 4624600 -11.939 -67.7529 64.8506 -67.7538 -150.805 109.913 64.8506 109.914 134.861 GPRESSURE: 4624600 139.011 -79.9127 38.6128 -5.80308 -173.619 62.9317 -28.6808 110.601 94.0071 PRESSAVG: 4624600 37.0612 -24.6807 -46.3206 -24.6807 -12.3771 17.2591 -46.3205 17.2591 2.06513 GPRESSAVG: 4624600 39.2292 -23.2174 -45.192 -24.5177 -13.8595 17.2343 -46.0298 16.1697 0.947273 TIMING: 4624600 CPU: 14442.3, 0.00310573/step Wall: 14442.3, 0.00310573/step, 0.323859 hours remaining, 234.261719 MB of memory in use. ENERGY: 4624600 4047.4754 20277.9616 14475.1158 234.7039 -203478.5921 2498.1879 0.0000 0.0000 51920.2797 -110024.8677 298.3866 -161945.1474 -109661.2489 297.9812 -9.2944 19.7997 760482.9243 8.9164 8.7723 PRESSURE: 4624800 -133.738 318.612 -41.7543 318.612 -179.501 -111.363 -41.754 -111.362 200.932 GPRESSURE: 4624800 -112.722 169.083 -109.739 144.273 -122.987 -140.064 -68.8455 -170.282 193.159 PRESSAVG: 4624800 36.3404 -10.1682 26.1533 -10.1683 -7.97461 17.4563 26.1533 17.4563 6.56485 GPRESSAVG: 4624800 34.8971 -11.7468 25.0727 -12.2971 -7.64007 17.6581 24.2627 17.6097 7.70253 TIMING: 4624800 CPU: 14442.9, 0.00311442/step Wall: 14442.9, 0.00311442/step, 0.324592 hours remaining, 234.261719 MB of memory in use. ENERGY: 4624800 3885.7905 20547.7996 14441.7800 252.3744 -203292.2300 2484.0893 0.0000 0.0000 51684.7943 -109995.6019 297.0332 -161680.3962 -109647.1444 297.8029 -37.4356 -14.1835 761676.2265 11.6435 11.6532 PRESSURE: 4625000 -152.195 -95.1011 -126.672 -95.0999 -163.006 -112.112 -126.672 -112.112 -368.748 GPRESSURE: 4625000 -123.952 -102.043 -19.2371 -56.8949 -142.432 -113.973 -154.989 -72.1589 -323.563 PRESSAVG: 4625000 19.2435 26.7748 -3.36926 26.7749 -29.9513 4.82808 -3.3693 4.82807 -8.00893 GPRESSAVG: 4625000 19.9448 29.1719 -1.56212 28.1984 -29.6975 5.56304 -2.45988 4.70158 -8.77113 TIMING: 4625000 CPU: 14443.6, 0.00309508/step Wall: 14443.6, 0.00309508/step, 0.322404 hours remaining, 234.261719 MB of memory in use. ENERGY: 4625000 4001.6118 20368.2695 14496.5323 242.6939 -203543.7715 2652.7964 0.0000 0.0000 51901.0641 -109880.8035 298.2761 -161781.8676 -109538.3869 298.0067 -227.9831 -196.6490 761689.6989 -6.2389 -6.1746 PRESSURE: 4625200 -206.222 -183.276 -176.551 -183.276 144.743 12.6211 -176.55 12.6208 -48.3157 GPRESSURE: 4625200 -63.8502 -119.346 -94.3078 -80.3114 162.639 -36.7941 -136.302 -2.15175 -116.108 PRESSAVG: 4625200 -25.8059 -20.2731 -18.9399 -20.2731 -0.630403 -21.9275 -18.9398 -21.9274 17.1183 GPRESSAVG: 4625200 -26.9873 -18.8708 -19.5868 -22.3442 -0.790361 -23.7451 -17.8608 -20.2849 17.9146 TIMING: 4625200 CPU: 14444.2, 0.00311008/step Wall: 14444.2, 0.00311008/step, 0.323794 hours remaining, 234.261719 MB of memory in use. ENERGY: 4625200 4011.0355 20452.1332 14428.8484 246.0933 -203447.2797 2730.0757 0.0000 0.0000 51778.2599 -109800.8336 297.5704 -161579.0935 -109431.4189 298.0442 -36.5983 -5.7729 760197.3078 -3.1060 -3.2877 PRESSURE: 4625400 273.527 -90.2342 -126.636 -90.2344 44.3645 142.935 -126.637 142.934 -93.7228 GPRESSURE: 4625400 244.483 -51.2422 -143.074 -43.7787 130.998 214.726 -180.317 169.815 -55.1292 PRESSAVG: 4625400 -21.5595 -57.8122 50.125 -57.8122 14.2293 26.1245 50.125 26.1246 5.69849 GPRESSAVG: 4625400 -21.2662 -60.1809 49.5037 -56.874 14.2032 27.4739 49.3566 25.2049 6.09931 TIMING: 4625400 CPU: 14444.8, 0.00309737/step Wall: 14444.8, 0.00309737/step, 0.322299 hours remaining, 234.261719 MB of memory in use. ENERGY: 4625400 3968.6270 20456.4470 14374.8763 258.5788 -204261.2007 3275.9846 0.0000 0.0000 51982.8445 -109943.8424 298.7461 -161926.6869 -109590.1668 298.3848 74.7230 106.7838 760044.9528 -0.5439 -0.3212 PRESSURE: 4625600 -408.76 -63.297 168.658 -63.2976 -217.86 -171.043 168.658 -171.043 -248.947 GPRESSURE: 4625600 -357.75 15.0805 170.389 -52.8169 -240.018 -240.937 219.93 -66.9806 -206.649 PRESSAVG: 4625600 -0.872119 -10.6877 -5.32976 -10.6877 -26.6998 -7.30797 -5.32979 -7.30794 -13.1241 GPRESSAVG: 4625600 0.0919276 -12.0532 -6.17064 -9.0773 -25.9617 -8.61555 -4.40542 -7.34522 -14.6496 TIMING: 4625600 CPU: 14445.4, 0.00310004/step Wall: 14445.4, 0.00310004/step, 0.322404 hours remaining, 234.261719 MB of memory in use. ENERGY: 4625600 3948.4867 20491.2389 14441.6782 245.1182 -203272.2459 2570.6893 0.0000 0.0000 51682.1666 -109892.8681 297.0181 -161575.0347 -109539.6272 298.3543 -291.8558 -268.1392 762107.0580 -13.5653 -13.5065 PRESSURE: 4625800 215.032 147.105 95.3112 147.105 -106.583 357.265 95.3111 357.266 183.56 GPRESSURE: 4625800 247.037 144.745 100.781 159.405 -42.1652 238.351 83.7299 506.933 141.961 PRESSAVG: 4625800 19.4244 -53.377 20.1617 -53.377 11.6725 25.5963 20.1618 25.5963 -2.68202 GPRESSAVG: 4625800 20.42 -52.3436 20.0082 -53.0444 10.4538 25.4918 20.6621 27.7768 -2.66168 TIMING: 4625800 CPU: 14446, 0.00310237/step Wall: 14446, 0.00310237/step, 0.322474 hours remaining, 234.261719 MB of memory in use. ENERGY: 4625800 3934.8702 20320.0860 14509.9736 253.7154 -203420.6019 2821.8048 0.0000 0.0000 51744.4903 -109835.6615 297.3763 -161580.1518 -109487.8008 298.3631 97.3365 115.6108 761790.2355 9.4716 9.4040 PRESSURE: 4626000 205.995 -97.5726 6.17725 -97.573 -93.9225 9.99201 6.17748 9.99356 -632.135 GPRESSURE: 4626000 54.2617 -69.2409 -100.268 -150.602 97.0609 -19.6592 -101.105 74.8907 -580.94 PRESSAVG: 4626000 27.0235 -108.155 -21.5705 -108.155 -9.6673 23.4336 -21.5705 23.4336 4.25195 GPRESSAVG: 4626000 25.2111 -106.48 -21.579 -110.063 -8.46164 23.4012 -22.9371 23.0958 4.56177 TIMING: 4626000 CPU: 14446.7, 0.0031293/step Wall: 14446.7, 0.0031293/step, 0.3251 hours remaining, 234.250000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4626000 4065.4021 20439.1617 14416.9030 250.2056 -203250.2131 2794.1835 0.0000 0.0000 51605.9830 -109678.3743 296.5803 -161284.3573 -109321.1262 297.8959 -173.3541 -143.2057 762349.9338 7.2027 7.1037 PRESSURE: 4626200 177.909 -65.2113 246.954 -65.2115 114.715 66.4436 246.954 66.4429 248.473 GPRESSURE: 4626200 199.373 -141.304 193.117 -24.2685 80.7696 160.755 223.711 46.2951 343.334 PRESSAVG: 4626200 32.814 -58.3095 -3.01773 -58.3094 -18.84 -40.0565 -3.01768 -40.0565 -13.0296 GPRESSAVG: 4626200 33.2307 -60.3165 -1.1442 -58.1392 -18.8871 -39.2708 -4.40855 -40.1113 -12.9614 TIMING: 4626200 CPU: 14447.3, 0.00310576/step Wall: 14447.3, 0.00310576/step, 0.322481 hours remaining, 234.261719 MB of memory in use. ENERGY: 4626200 3967.3850 20478.6663 14474.7298 238.2114 -203329.9753 2703.3205 0.0000 0.0000 51918.1756 -109549.4868 298.3745 -161467.6624 -109189.8414 297.8618 180.3655 207.8256 761471.7372 0.3148 0.4607 PRESSURE: 4626400 -373.83 -47.6817 -29.7174 -47.6817 -89.1687 54.7248 -29.7173 54.7247 -55.4036 GPRESSURE: 4626400 -320.358 -60.481 -115.773 -93.3733 -50.1789 78.988 4.81195 93.8881 -58.9656 PRESSAVG: 4626400 8.47924 -47.247 1.34154 -47.2469 29.1524 13.9252 1.34154 13.9252 -17.0177 GPRESSAVG: 4626400 9.93139 -46.3516 -0.305 -45.8863 27.8095 13.8044 4.46564 12.0712 -16.9507 TIMING: 4626400 CPU: 14447.9, 0.00312678/step Wall: 14447.9, 0.00312678/step, 0.32449 hours remaining, 234.261719 MB of memory in use. ENERGY: 4626400 3989.4553 20375.5787 14430.8570 235.7134 -203115.1793 2576.5361 0.0000 0.0000 51839.5907 -109667.4481 297.9228 -161507.0388 -109317.4559 298.5146 -172.8009 -143.1675 764124.4483 6.8713 6.9301 PRESSURE: 4626600 124.929 -56.2428 4.92262 -56.2427 -129.655 3.58684 4.92257 3.58707 -157.612 GPRESSURE: 4626600 81.7339 73.2076 -78.66 79.0566 17.4771 -51.6193 48.3632 98.7283 -177.606 PRESSAVG: 4626600 -30.4632 -25.936 33.476 -25.936 13.4537 7.90704 33.476 7.90699 39.3016 GPRESSAVG: 4626600 -31.4338 -23.9199 33.6193 -26.4305 14.4731 7.85443 30.5506 9.00195 38.9972 TIMING: 4626600 CPU: 14448.5, 0.0031167/step Wall: 14448.5, 0.0031167/step, 0.323271 hours remaining, 234.261719 MB of memory in use. ENERGY: 4626600 3994.2353 20403.9495 14393.0733 256.0802 -203084.6839 2645.4935 0.0000 0.0000 51823.9063 -109567.9459 297.8327 -161391.8522 -109209.1051 298.1540 -54.1127 -26.1316 765319.4105 7.4307 7.3455 PRESSURE: 4626800 -129.954 4.47 53.6612 4.47003 -52.6336 -55.0348 53.6611 -55.0346 182.687 GPRESSURE: 4626800 -112.709 -59.2609 -6.06694 -5.78749 -22.5639 -122.711 -22.6542 22.9838 223.539 PRESSAVG: 4626800 4.04045 -29.1478 -28.8706 -29.1477 26.0242 -1.34279 -28.8705 -1.34276 -9.12689 GPRESSAVG: 4626800 3.86537 -30.7324 -29.4863 -28.1398 26.2874 -3.10385 -24.4541 0.273606 -9.02088 TIMING: 4626800 CPU: 14449.2, 0.00313928/step Wall: 14449.2, 0.00313928/step, 0.325439 hours remaining, 234.261719 MB of memory in use. ENERGY: 4626800 3959.6413 20402.5092 14449.6010 253.1115 -202899.2586 2593.8047 0.0000 0.0000 51970.7658 -109269.8249 298.6767 -161240.5907 -108917.1900 298.7679 0.0334 29.4219 762697.3792 6.9792 7.0440 PRESSURE: 4627000 210.041 -70.5697 16.7441 -70.5696 -673.384 -66.2884 16.7435 -66.2898 -393.876 GPRESSURE: 4627000 186.299 1.8721 -28.3415 34.7196 -580.314 24.218 119.6 -116.453 -348.822 PRESSAVG: 4627000 -5.9123 -44.6886 0.621092 -44.6885 -15.4109 7.98403 0.621144 7.98397 8.43527 GPRESSAVG: 4627000 -6.31415 -44.6374 1.3021 -45.1934 -15.9856 8.48406 -1.27493 6.29312 9.43767 TIMING: 4627000 CPU: 14449.8, 0.00312393/step Wall: 14449.8, 0.00312393/step, 0.323674 hours remaining, 234.261719 MB of memory in use. ENERGY: 4627000 3984.3651 20428.8740 14364.3065 252.4829 -203132.5384 2563.0512 0.0000 0.0000 52198.2866 -109341.1721 299.9843 -161539.4587 -108977.1032 299.4578 -285.7397 -247.6122 763983.6508 -4.2960 -4.2874 PRESSURE: 4627200 -17.0776 94.3893 -9.77465 94.3894 160.915 2.79367 -9.77473 2.79406 -17.3966 GPRESSURE: 4627200 78.0626 26.0143 -10.3656 92.5748 123.387 111.623 30.8063 21.1792 5.12812 PRESSAVG: 4627200 0.0346562 1.02855 -1.88459 1.02855 13.8989 -8.69549 -1.88457 -8.69544 -22.7762 GPRESSAVG: 4627200 1.28547 3.11022 -1.44619 -0.200219 14.1604 -8.34014 -2.10122 -8.23252 -23.3753 TIMING: 4627200 CPU: 14450.4, 0.0031374/step Wall: 14450.4, 0.0031374/step, 0.324896 hours remaining, 234.261719 MB of memory in use. ENERGY: 4627200 4080.5938 20298.6347 14442.3111 258.1351 -203522.9899 3083.2704 0.0000 0.0000 52191.2628 -109168.7819 299.9439 -161360.0447 -108807.0686 299.6224 42.1470 68.8593 762614.3474 -2.9475 -2.6432 PRESSURE: 4627400 -8.86108 15.9046 -160.002 15.9026 -181.569 -75.2831 -160.002 -75.2819 -207.039 GPRESSURE: 4627400 -57.978 12.1079 -98.0586 31.6482 -144.815 -168.923 -110.778 -65.7567 -136.627 PRESSAVG: 4627400 16.1301 -76.2818 -4.20609 -76.2819 31.6172 -53.3718 -4.20615 -53.3718 12.3922 GPRESSAVG: 4627400 15.3666 -78.3444 -4.14193 -73.6783 31.1128 -54.1615 -2.7883 -51.6039 13.6899 TIMING: 4627400 CPU: 14451, 0.00312298/step Wall: 14451, 0.00312298/step, 0.323229 hours remaining, 234.261719 MB of memory in use. ENERGY: 4627400 4050.3644 20442.0729 14479.0528 236.5853 -202921.3665 2548.6350 0.0000 0.0000 52083.4747 -109081.1815 299.3244 -161164.6562 -108725.0545 299.7430 -132.4895 -113.1400 765617.1876 20.0465 20.0565 PRESSURE: 4627600 252.227 -113.239 32.4683 -113.24 -125.5 -73.2113 32.4685 -73.2117 -47.8745 GPRESSURE: 4627600 218.692 -191.224 -47.2999 -48.6034 -31.2399 -111.148 -1.62943 -46.1349 -34.6672 PRESSAVG: 4627600 18.264 -46.3583 1.85059 -46.3582 -25.0823 -34.5332 1.85058 -34.5332 -0.50663 GPRESSAVG: 4627600 17.7792 -46.4561 -0.354363 -48.6876 -23.9898 -33.3423 3.40798 -36.1264 -0.943769 TIMING: 4627600 CPU: 14451.7, 0.00312863/step Wall: 14451.7, 0.00312863/step, 0.323639 hours remaining, 234.261719 MB of memory in use. ENERGY: 4627600 4006.6419 20403.6446 14394.9125 259.2324 -203277.0167 3037.1571 0.0000 0.0000 51843.5430 -109331.8853 297.9456 -161175.4283 -108978.5150 298.6153 26.2842 50.9284 763740.3905 -2.4416 -2.3848 PRESSURE: 4627800 -68.0716 -160.712 -137.314 -160.712 -404.931 47.6073 -137.313 47.609 343.78 GPRESSURE: 4627800 7.70261 -115.613 -92.5488 -237.635 -317.626 128.091 -91.3526 -3.69773 263.721 PRESSAVG: 4627800 44.8445 -54.7343 8.14109 -54.7344 -17.7578 -2.6055 8.14109 -2.60548 12.7678 GPRESSAVG: 4627800 46.5238 -53.2331 10.1505 -55.3247 -18.0997 -1.56209 4.55395 -4.44687 11.6118 TIMING: 4627800 CPU: 14452.3, 0.00312126/step Wall: 14452.3, 0.00312126/step, 0.322704 hours remaining, 234.261719 MB of memory in use. ENERGY: 4627800 3993.9237 20535.9785 14556.3510 244.7169 -203095.3683 2541.0174 0.0000 0.0000 51970.1307 -109253.2503 298.6731 -161223.3810 -108890.3916 298.8685 -43.0744 -15.4007 764470.9928 13.2848 13.3453 PRESSURE: 4628000 91.1691 62.8182 -41.4934 62.8188 -174.531 -58.7008 -41.4943 -58.7004 -100.548 GPRESSURE: 4628000 214.338 43.7002 31.0026 7.08215 -194.974 -132.414 28.6702 -154.952 -104.529 PRESSAVG: 4628000 13.6088 -12.4346 17.1129 -12.4347 -9.73338 11.9744 17.1129 11.9744 -29.7948 GPRESSAVG: 4628000 13.1506 -12.1034 15.7693 -10.6847 -10.1968 11.7719 17.47 12.3008 -29.0892 TIMING: 4628000 CPU: 14452.9, 0.0031106/step Wall: 14452.9, 0.0031106/step, 0.321429 hours remaining, 234.261719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4628000 3992.5624 20391.1910 14494.4785 249.2699 -203369.2606 2828.2690 0.0000 0.0000 52190.9131 -109222.5767 299.9419 -161413.4898 -108859.5891 299.0718 -61.3031 -28.3884 762758.5555 -8.6398 -8.7118 PRESSURE: 4628200 2.67041 -13.3621 29.9983 -13.3624 -25.379 -81.4024 29.9979 -81.4025 -66.2211 GPRESSURE: 4628200 100.751 -101.424 38.068 -16.7473 -0.807716 54.8363 73.199 -256.714 -100.094 PRESSAVG: 4628200 45.6946 -42.2379 32.1369 -42.2379 -38.1027 -30.5745 32.1369 -30.5745 13.0127 GPRESSAVG: 4628200 45.3752 -43.1273 35.8144 -44.4586 -37.5162 -32.8562 31.4123 -30.0589 13.2366 TIMING: 4628200 CPU: 14453.5, 0.00311832/step Wall: 14453.5, 0.00311832/step, 0.322053 hours remaining, 234.261719 MB of memory in use. ENERGY: 4628200 4003.6065 20411.3655 14383.2556 239.4876 -202968.2301 2837.9042 0.0000 0.0000 51893.5359 -109199.0748 298.2329 -161092.6107 -108837.9334 299.1464 -29.6432 -0.0503 763461.6400 6.8682 7.0318 LDB: ============= START OF LOAD BALANCING ============== 14466 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14466 LDB: =============== DONE WITH MIGRATION ================ 14466 LDB: ============= START OF LOAD BALANCING ============== 14466.3 LDB: Largest compute 7037 load 0.033246 is 17.0% of average load 0.195271 LDB: Average compute 0.004406 is 2.3% of average load 0.195271 LDB: TIME 14466.3 LOAD: AVG 0.195271 MAX 0.215227 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.262 MB LDB: TIME 14466.3 LOAD: AVG 0.195271 MAX 0.215227 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.465 MB LDB: TIME 14466.3 LOAD: AVG 0.195271 MAX 0.215227 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.465 MB LDB: ============== END OF LOAD BALANCING =============== 14466.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 14466.3 Info: useSync: 0 useProxySync: 0 PRESSURE: 4628400 283.263 128.306 -218.85 128.307 -110.94 91.9847 -218.849 91.9848 176.618 GPRESSURE: 4628400 230.794 162.762 -322.32 81.7644 28.5119 30.9219 -200.957 105.319 172.803 PRESSAVG: 4628400 55.5697 34.1004 -37.8851 34.1004 -38.538 0.674445 -37.8851 0.67443 10.5442 GPRESSAVG: 4628400 56.0183 32.9068 -40.9235 36.0436 -39.4346 3.17632 -34.6426 0.223708 11.1383 TIMING: 4628400 CPU: 14454.2, 0.00317706/step Wall: 14454.2, 0.00317706/step, 0.327943 hours remaining, 236.507812 MB of memory in use. ENERGY: 4628400 3961.5971 20294.8949 14384.5225 238.0489 -202841.1845 2679.8133 0.0000 0.0000 52105.7096 -109176.5981 299.4522 -161282.3077 -108817.9082 299.1339 116.3136 144.0364 764419.7957 9.1920 9.2407 PRESSURE: 4628600 75.8822 -38.9668 -286.318 -38.9662 -38.7458 208.368 -286.318 208.368 273.713 GPRESSURE: 4628600 127.296 -75.2989 -188.115 -48.5612 -5.04232 169.493 -168.572 264.855 266.696 PRESSAVG: 4628600 -16.159 -20.5137 -4.69086 -20.5137 37.0873 -7.22615 -4.69094 -7.22615 -11.7524 GPRESSAVG: 4628600 -16.0444 -20.1167 -4.63125 -22.8462 37.0568 -8.42715 -6.30939 -7.6633 -11.9589 TIMING: 4628600 CPU: 14454.8, 0.00312654/step Wall: 14454.8, 0.00312654/step, 0.322555 hours remaining, 236.777344 MB of memory in use. ENERGY: 4628600 3943.6558 20380.5443 14417.8893 240.0120 -203012.7123 2785.0072 0.0000 0.0000 52272.0886 -108973.5150 300.4084 -161245.6036 -108612.1680 299.6250 103.6164 129.6498 761616.3919 3.0586 3.0178 PRESSURE: 4628800 -317.592 38.7514 54.5685 38.7502 -129.711 -59.1199 54.5678 -59.1201 72.3186 GPRESSURE: 4628800 -244.241 108.576 44.9061 117.025 -142.865 -46.0434 71.8001 -89.8841 101.528 PRESSAVG: 4628800 -8.95667 -6.21447 0.852361 -6.21445 -5.43143 -10.0936 0.852363 -10.0936 26.6854 GPRESSAVG: 4628800 -8.65389 -6.73103 0.799097 -4.03115 -5.04768 -10.4618 2.30932 -9.23361 25.8095 TIMING: 4628800 CPU: 14455.4, 0.00309728/step Wall: 14455.4, 0.00309728/step, 0.319364 hours remaining, 236.777344 MB of memory in use. ENERGY: 4628800 4027.2250 20487.6431 14471.6590 260.4639 -202688.2744 2374.1160 0.0000 0.0000 52048.0712 -109019.0962 299.1210 -161067.1673 -108654.5129 299.9188 -124.9946 -95.1927 762714.4499 4.0991 4.0360 PRESSURE: 4629000 117.109 -127.316 22.6874 -127.316 257.153 93.096 22.6874 93.0955 -67.1917 GPRESSURE: 4629000 74.4999 -83.9604 -79.5669 -13.3166 299.999 84.3466 31.1577 145.415 20.1514 PRESSAVG: 4629000 -9.69239 -42.2621 7.88313 -42.262 36.4744 6.06471 7.88312 6.06461 2.32511 GPRESSAVG: 4629000 -11.4986 -42.2366 8.86402 -41.3959 37.5196 6.20078 7.94946 8.65277 3.32702 TIMING: 4629000 CPU: 14456, 0.00311191/step Wall: 14456, 0.00311191/step, 0.320699 hours remaining, 236.777344 MB of memory in use. ENERGY: 4629000 4035.0720 20500.2160 14425.7674 217.2551 -203170.5257 2705.1570 0.0000 0.0000 52241.7663 -109045.2918 300.2341 -161287.0581 -108672.2294 299.5124 102.3570 131.5502 761111.8423 9.7024 9.7827 PRESSURE: 4629200 -61.8486 -70.2884 -177.753 -70.2878 193.939 84.8657 -177.752 84.8663 145.42 GPRESSURE: 4629200 -30.1381 19.5788 -81.6359 -93.5099 200.771 91.2584 -83.6446 65.1782 181.452 PRESSAVG: 4629200 -48.7571 -29.3326 31.7057 -29.3326 37.7276 -4.78463 31.7057 -4.78465 -5.66351 GPRESSAVG: 4629200 -47.7482 -29.1508 30.9544 -29.8915 36.852 -5.30216 31.6294 -5.12795 -5.41743 TIMING: 4629200 CPU: 14456.7, 0.00311508/step Wall: 14456.7, 0.00311507/step, 0.320853 hours remaining, 236.777344 MB of memory in use. ENERGY: 4629200 3891.9724 20448.6840 14450.5027 243.0211 -202834.6449 2602.0000 0.0000 0.0000 52255.2737 -108943.1910 300.3118 -161198.4648 -108577.8651 299.3663 92.5036 117.3615 762621.4081 -5.5644 -5.4379 PRESSURE: 4629400 66.3093 -125.805 -36.9844 -125.805 87.4017 -184.339 -36.9841 -184.338 -208.944 GPRESSURE: 4629400 166.529 -172.949 -94.5694 -142.335 74.397 -154.571 -38.779 -149.52 -208.102 PRESSAVG: 4629400 5.71475 -44.3048 1.98836 -44.3048 0.535373 15.1388 1.98838 15.1389 15.9812 GPRESSAVG: 4629400 6.43631 -45.1105 3.73489 -43.4406 0.881079 15.2349 -0.244773 14.2834 14.7564 TIMING: 4629400 CPU: 14457.3, 0.00310608/step Wall: 14457.3, 0.00310608/step, 0.319754 hours remaining, 236.777344 MB of memory in use. ENERGY: 4629400 3974.4917 20508.9524 14432.0952 252.7226 -203236.8978 2756.2757 0.0000 0.0000 52284.1965 -109028.1637 300.4780 -161312.3603 -108666.5000 300.1800 -18.4110 10.9414 762101.2683 7.4104 7.3579 PRESSURE: 4629600 375.122 21.1264 -85.196 21.1267 135.985 -43.9993 -85.1965 -44.0001 394.935 GPRESSURE: 4629600 291.55 -14.2285 -105.71 38.349 293.629 -18.0547 33.4818 -58.0269 429.085 PRESSAVG: 4629600 17.0666 -47.5262 -1.94333 -47.5262 -1.67617 4.3043 -1.94329 4.30426 -4.73383 GPRESSAVG: 4629600 17.7067 -46.1667 -3.04857 -49.4568 -2.17646 4.34731 -1.81522 4.27846 -4.0559 TIMING: 4629600 CPU: 14457.9, 0.00310732/step Wall: 14457.9, 0.00310732/step, 0.319708 hours remaining, 236.976562 MB of memory in use. ENERGY: 4629600 3934.7587 20618.1619 14505.3202 227.8051 -202771.1499 2536.0164 0.0000 0.0000 52318.5868 -108630.5007 300.6756 -160949.0875 -108268.7634 300.1781 302.0139 338.0878 762575.7153 3.5522 3.8248 PRESSURE: 4629800 65.8101 73.3381 -0.419575 73.3381 -482.562 -94.5097 -0.419643 -94.51 -334.386 GPRESSURE: 4629800 78.3209 97.3625 56.1859 132.171 -445.74 -36.096 -49.1436 -94.4588 -284.889 PRESSAVG: 4629800 -14.8757 -59.3626 60.9382 -59.3627 10.083 -10.2766 60.9383 -10.2766 15.6979 GPRESSAVG: 4629800 -15.1604 -59.6149 61.7802 -60.5576 10.2759 -10.4258 63.6479 -10.1186 15.7207 TIMING: 4629800 CPU: 14458.5, 0.00312278/step Wall: 14458.5, 0.00312278/step, 0.321126 hours remaining, 237.113281 MB of memory in use. ENERGY: 4629800 3953.9105 20691.6551 14424.3081 263.8812 -202768.7508 2584.2532 0.0000 0.0000 52170.6100 -108680.1327 299.8252 -160850.7427 -108315.4238 300.2371 -250.3795 -217.4361 764543.1251 3.6351 3.6120 PRESSURE: 4630000 -347.126 53.6455 -144.115 53.6448 -90.3667 44.316 -144.115 44.3164 -165.382 GPRESSURE: 4630000 -260.134 46.5077 -109.099 83.848 -45.6787 -51.7158 -143.105 122.513 -208.941 PRESSAVG: 4630000 56.1241 -43.8183 12.3916 -43.8183 -93.2645 17.6386 12.3917 17.6386 5.65501 GPRESSAVG: 4630000 56.1532 -41.6129 11.4277 -44.2017 -93.468 18.3669 12.541 16.8524 6.17317 TIMING: 4630000 CPU: 14459.1, 0.00312134/step Wall: 14459.1, 0.00312134/step, 0.320805 hours remaining, 237.113281 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: 4630000 4117.5777 20326.7560 14447.1523 231.2822 -202970.6523 2726.4018 0.0000 0.0000 52292.7744 -108828.7080 300.5273 -161121.4823 -108457.2352 300.3399 -200.9582 -171.5847 763645.2617 -10.4951 -10.3806 PRESSURE: 4630200 66.8202 96.8227 4.50385 96.8222 -224.307 -130.998 4.50367 -130.998 -50.9689 GPRESSURE: 4630200 97.8425 84.9618 -94.3098 149.034 -147.105 -96.896 34.2896 -14.1301 -65.0389 PRESSAVG: 4630200 -1.58089 -19.4963 42.3835 -19.4963 39.8645 31.2895 42.3834 31.2894 7.27076 GPRESSAVG: 4630200 -0.528682 -21.1241 42.6086 -18.9017 39.3268 31.8051 41.8043 32.6276 6.92301 TIMING: 4630200 CPU: 14459.8, 0.00309779/step Wall: 14459.8, 0.00309779/step, 0.318212 hours remaining, 237.113281 MB of memory in use. ENERGY: 4630200 3972.0624 20660.2002 14464.2846 233.7031 -202880.4314 2651.7259 0.0000 0.0000 52253.5496 -108644.9057 300.3019 -160898.4553 -108276.5520 300.8608 -69.4854 -38.1004 763199.1783 15.1848 15.2404 PRESSURE: 4630400 329.5 -28.9697 31.0055 -28.9701 7.1521 85.8728 31.005 85.8742 90.4304 GPRESSURE: 4630400 311.252 -13.6739 65.6127 -59.1151 67.5209 171.517 -45.3821 -54.2947 121.235 PRESSAVG: 4630400 -15.6521 -35.2068 64.1595 -35.2068 52.1724 9.99319 64.1594 9.99318 4.25349 GPRESSAVG: 4630400 -16.6582 -34.9459 64.2861 -34.2932 52.3389 9.7639 63.4485 8.52125 4.49282 TIMING: 4630400 CPU: 14460.4, 0.00312346/step Wall: 14460.4, 0.00312346/step, 0.320675 hours remaining, 237.113281 MB of memory in use. ENERGY: 4630400 4081.6167 20525.9260 14444.3167 236.5598 -203071.8831 2945.4023 0.0000 0.0000 52068.0474 -108770.0141 299.2358 -160838.0616 -108414.6886 300.5995 142.3608 166.6691 765420.5672 13.5912 13.3912 PRESSURE: 4630600 -140.5 -47.5865 256.716 -47.5865 70.777 102.875 256.715 102.876 61.0675 GPRESSURE: 4630600 -133.911 -9.87768 205.501 69.7087 91.3141 165.582 223.425 79.1768 119.42 PRESSAVG: 4630600 -12.5141 -28.6344 38.413 -28.6344 -7.41748 21.3748 38.413 21.3748 16.2953 GPRESSAVG: 4630600 -11.7744 -29.7201 38.3274 -28.1654 -8.76107 21.4222 37.9755 21.9227 16.6401 TIMING: 4630600 CPU: 14461, 0.00309882/step Wall: 14461, 0.00309882/step, 0.317973 hours remaining, 237.113281 MB of memory in use. ENERGY: 4630600 3985.6416 20532.1326 14479.8721 230.3274 -202629.9767 2435.6174 0.0000 0.0000 52207.5914 -108758.7943 300.0377 -160966.3857 -108391.5368 300.0750 -2.8851 25.6076 764199.9076 -1.2121 -1.2985 PRESSURE: 4630800 217.02 5.35844 138.249 5.35833 -47.2877 -141.143 138.249 -141.142 -96.3524 GPRESSURE: 4630800 226.734 27.3643 95.8381 18.9591 -54.8423 -163.014 139.701 -189.808 -10.646 PRESSAVG: 4630800 17.812 -9.20419 -10.7328 -9.20421 -23.5471 42.0486 -10.7329 42.0485 -6.43603 GPRESSAVG: 4630800 17.1809 -7.09876 -10.3684 -11.418 -22.9471 41.2923 -10.3778 40.9025 -6.69518 TIMING: 4630800 CPU: 14461.6, 0.00310616/step Wall: 14461.6, 0.00310616/step, 0.318554 hours remaining, 237.113281 MB of memory in use. ENERGY: 4630800 3984.6367 20540.1167 14440.8275 254.8704 -202717.5874 2649.9149 0.0000 0.0000 52249.3282 -108597.8929 300.2776 -160847.2211 -108247.9696 300.3548 24.4599 53.7487 765024.9601 -4.0571 -4.1538 PRESSURE: 4631000 -63.3286 -125.331 146.454 -125.33 -197.12 -276.163 146.453 -276.164 -170.358 GPRESSURE: 4631000 0.847647 -261.741 179.815 -145.292 -141.521 -123.494 26.832 -272.26 -198.119 PRESSAVG: 4631000 -3.59494 18.1135 1.6279 18.1135 -15.3293 10.8184 1.62791 10.8183 -4.62063 GPRESSAVG: 4631000 -4.93739 19.0997 2.71505 18.8027 -13.9344 9.87235 -0.0981297 14.4105 -4.13335 TIMING: 4631000 CPU: 14462.3, 0.00312764/step Wall: 14462.3, 0.00312764/step, 0.320583 hours remaining, 237.113281 MB of memory in use. ENERGY: 4631000 3989.1667 20505.7772 14396.7780 272.6554 -202665.2876 2391.4339 0.0000 0.0000 52344.1087 -108765.3677 300.8223 -161109.4764 -108399.2386 300.2459 -143.6022 -112.9305 765133.6071 -7.8483 -7.6684 PRESSURE: 4631200 -236.781 264.293 19.8402 264.293 -323.031 283.197 19.8417 283.197 -354.151 GPRESSURE: 4631200 -238.986 167.839 -30.7355 258.796 -252.434 227.897 26.9482 331.311 -356.77 PRESSAVG: 4631200 2.91835 -13.9966 -12.3975 -13.9966 -18.7513 -13.1183 -12.3975 -13.1182 24.8817 GPRESSAVG: 4631200 2.52327 -17.8713 -14.0004 -14.9623 -17.0739 -12.2606 -10.4866 -15.0427 24.0255 TIMING: 4631200 CPU: 14462.9, 0.00313077/step Wall: 14462.9, 0.00313077/step, 0.32073 hours remaining, 237.113281 MB of memory in use. ENERGY: 4631200 3999.0958 20616.7034 14483.2713 238.5948 -202731.4176 2378.4930 0.0000 0.0000 52041.8480 -108973.4113 299.0852 -161015.2593 -108611.0408 299.9330 -304.6544 -282.7301 764691.5257 3.0162 3.1583 PRESSURE: 4631400 -71.3629 -195.212 55.3634 -195.211 21.1109 -15.2337 55.363 -15.2327 212.866 GPRESSURE: 4631400 -3.57715 -172.768 -53.9547 -209.236 33.4066 103.61 137.291 -137.053 235.374 PRESSAVG: 4631400 -11.5024 -41.3712 24.966 -41.3712 0.281912 14.2957 24.9659 14.2957 2.99468 GPRESSAVG: 4631400 -8.98811 -37.5496 25.1236 -40.015 -1.77789 15.5007 23.3017 13.4335 2.97673 TIMING: 4631400 CPU: 14463.5, 0.00310841/step Wall: 14463.5, 0.00310841/step, 0.318266 hours remaining, 237.113281 MB of memory in use. ENERGY: 4631400 4020.9744 20386.5629 14462.3975 230.8841 -202859.6677 2571.9367 0.0000 0.0000 52327.8817 -108859.0304 300.7291 -161186.9120 -108488.7197 299.7946 54.2045 88.4011 763581.2291 -2.7419 -2.5964 PRESSURE: 4631600 -406.587 44.0218 -58.0191 44.0234 223.163 -82.6215 -58.019 -82.622 -299.114 GPRESSURE: 4631600 -292.768 25.424 4.98013 25.6167 165.226 -35.1794 -87.0232 -87.6943 -247.853 PRESSAVG: 4631600 -30.6122 -19.4094 19.898 -19.4094 -12.3912 15.6823 19.898 15.6823 -14.4935 GPRESSAVG: 4631600 -31.5241 -22.3647 20.7359 -19.5146 -12.217 14.4391 20.9893 16.2971 -13.9782 TIMING: 4631600 CPU: 14464.1, 0.00312509/step Wall: 14464.1, 0.00312509/step, 0.319801 hours remaining, 237.113281 MB of memory in use. ENERGY: 4631600 4065.1567 20626.5399 14400.0954 261.4336 -203215.0822 2748.2407 0.0000 0.0000 52213.9336 -108899.6823 300.0742 -161113.6159 -108551.8403 300.2626 -160.8460 -125.1317 764466.1393 -19.1656 -19.2398 PRESSURE: 4631800 -510.369 -70.2681 202.141 -70.2678 -79.0488 330.073 202.141 330.073 -236.254 GPRESSURE: 4631800 -460.883 21.3338 144.806 -135.789 -82.2285 281.648 238.664 125.23 -206.591 PRESSAVG: 4631800 -9.5331 -0.400877 17.6274 -0.400896 22.6789 -37.6417 17.6275 -37.6416 1.92139 GPRESSAVG: 4631800 -10.7128 1.59519 16.8832 -1.23647 23.4677 -37.9598 16.8711 -38.2226 2.41541 TIMING: 4631800 CPU: 14464.8, 0.00311807/step Wall: 14464.8, 0.00311807/step, 0.318909 hours remaining, 237.113281 MB of memory in use. ENERGY: 4631800 4058.8911 20486.7631 14427.8697 263.5655 -203085.3983 2640.6779 0.0000 0.0000 52300.9683 -108906.6627 300.5744 -161207.6310 -108538.0054 300.0463 -275.2238 -249.9009 764053.0769 5.0224 5.0568 PRESSURE: 4632000 -20.8115 -89.525 168.692 -89.5249 -39.6106 -183.699 168.692 -183.699 -23.7698 GPRESSURE: 4632000 -24.5476 -59.5115 112.326 -105.19 -31.8994 -199.522 160.202 -152.426 69.3543 PRESSAVG: 4632000 -55.8547 -32.4721 105.181 -32.4721 59.9523 4.40696 105.181 4.40697 -16.4807 GPRESSAVG: 4632000 -55.299 -33.4444 106.071 -31.4615 60.1396 4.76418 105.391 4.18185 -17.4964 TIMING: 4632000 CPU: 14465.4, 0.00313404/step Wall: 14465.4, 0.00313404/step, 0.320368 hours remaining, 237.113281 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: 4632000 3999.8545 20593.1782 14414.7639 251.0411 -203158.3105 2681.9063 0.0000 0.0000 52127.3294 -109090.2370 299.5765 -161217.5664 -108727.9776 299.7488 -28.0639 4.3024 763051.0363 -4.1277 -4.2186 PRESSURE: 4632200 -117.088 156.64 -224.693 156.64 -253.344 -49.0744 -224.694 -49.0738 252.72 GPRESSURE: 4632200 -91.4007 167.666 -203.683 160.876 -160.268 -40.4946 -275.42 -61.4348 204.081 PRESSAVG: 4632200 -29.7873 -17.8053 -23.3244 -17.8052 0.595196 -32.3759 -23.3244 -32.3759 -4.19441 GPRESSAVG: 4632200 -30.1536 -17.9685 -23.7675 -18.3576 1.03913 -31.9229 -23.2 -30.0645 -3.82522 TIMING: 4632200 CPU: 14466, 0.00311578/step Wall: 14466, 0.00311578/step, 0.318329 hours remaining, 237.113281 MB of memory in use. ENERGY: 4632200 3947.2468 20490.1874 14513.8460 229.1262 -203293.1190 2695.2769 0.0000 0.0000 52104.5100 -109312.9256 299.4453 -161417.4356 -108956.5476 299.4281 -39.2375 -15.8627 763814.9201 -11.1288 -10.9799 LDB: ============= START OF LOAD BALANCING ============== 14478.5 LDB: ============== END OF LOAD BALANCING =============== 14478.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14478.5 LDB: ============= START OF LOAD BALANCING ============== 14478.8 LDB: Largest compute 7037 load 0.033836 is 17.3% of average load 0.195391 LDB: Average compute 0.004395 is 2.2% of average load 0.195391 LDB: TIME 14478.8 LOAD: AVG 0.195391 MAX 0.21409 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.941 MB LDB: TIME 14478.8 LOAD: AVG 0.195391 MAX 0.21409 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.945 MB LDB: TIME 14478.8 LOAD: AVG 0.195391 MAX 0.21409 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.945 MB LDB: ============== END OF LOAD BALANCING =============== 14478.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14478.8 PRESSURE: 4632400 -164.817 -350.106 118.751 -350.106 -425.01 -84.5583 118.751 -84.5574 -177.914 GPRESSURE: 4632400 -176.314 -333.591 146.152 -328.407 -362.65 -64.4391 157.351 -119.602 -146.464 PRESSAVG: 4632400 -18.8876 32.7776 47.515 32.7776 65.1498 -20.2602 47.515 -20.2602 -0.880973 GPRESSAVG: 4632400 -17.742 34.5386 47.8773 33.494 64.0995 -20.7819 48.0649 -23.6389 -1.40085 TIMING: 4632400 CPU: 14466.6, 0.00319686/step Wall: 14466.6, 0.00319686/step, 0.326435 hours remaining, 235.285156 MB of memory in use. ENERGY: 4632400 4062.1767 20389.4870 14447.3736 250.9692 -202785.5177 2191.1455 0.0000 0.0000 52075.5689 -109368.7967 299.2790 -161444.3656 -109010.2809 299.3761 -255.9136 -228.4760 762587.3829 15.1271 14.9856 PRESSURE: 4632600 -43.7945 -179.244 172.652 -179.244 -305.693 123.953 172.653 123.952 40.747 GPRESSURE: 4632600 -93.7297 -92.6291 102.313 -159.462 -170.75 168.8 95.2363 140.874 31.7654 PRESSAVG: 4632600 -42.2225 -16.2515 -16.6966 -16.2515 39.0222 -23.9603 -16.6966 -23.9603 3.37179 GPRESSAVG: 4632600 -41.7792 -17.8226 -17.9664 -15.6023 38.4733 -22.7914 -16.7128 -23.1478 3.24358 TIMING: 4632600 CPU: 14467.3, 0.00311355/step Wall: 14467.3, 0.00311355/step, 0.317755 hours remaining, 235.687500 MB of memory in use. ENERGY: 4632600 4011.6373 20492.9762 14543.2386 259.5832 -203660.3789 2829.3508 0.0000 0.0000 51988.5041 -109535.0888 298.7786 -161523.5929 -109170.9940 298.9673 -102.9135 -77.5714 760901.2225 0.0572 -0.0208 PRESSURE: 4632800 39.6313 -81.2252 135.686 -81.225 166.915 -86.9091 135.686 -86.9093 -50.2413 GPRESSURE: 4632800 43.0923 -114.705 206.275 -47.0519 292.558 -75.7538 44.9108 -12.0855 -90.5354 PRESSAVG: 4632800 -36.0381 -4.23787 69.0303 -4.2378 32.9868 32.2981 69.0303 32.2981 4.95701 GPRESSAVG: 4632800 -36.1105 -2.18385 71.1653 -6.02003 33.2443 31.1169 68.079 33.1986 4.71974 TIMING: 4632800 CPU: 14467.9, 0.00310515/step Wall: 14467.9, 0.00310515/step, 0.316725 hours remaining, 235.687500 MB of memory in use. ENERGY: 4632800 4015.9245 20420.5687 14478.0622 259.8792 -203248.7505 2627.2032 0.0000 0.0000 51987.8244 -109459.2882 298.7747 -161447.1126 -109101.6261 298.8415 52.1017 81.7051 761363.5575 0.6352 0.6179 PRESSURE: 4633000 -50.9982 -12.6388 2.45187 -12.6389 -158.746 31.242 2.45184 31.2413 -53.308 GPRESSURE: 4633000 67.8815 22.0586 -33.5191 -5.85557 -168.047 87.3642 -69.895 28.0128 -57.8496 PRESSAVG: 4633000 58.6506 -17.2415 22.1078 -17.2415 -58.4054 -15.8283 22.1077 -15.8283 1.01201 GPRESSAVG: 4633000 58.2697 -18.1224 21.4653 -16.0654 -57.2647 -15.1794 20.9678 -18.7641 0.747625 TIMING: 4633000 CPU: 14468.5, 0.00312491/step Wall: 14468.5, 0.00312491/step, 0.318567 hours remaining, 235.675781 MB of memory in use. ENERGY: 4633000 4012.7003 20602.0479 14447.6529 237.0938 -203291.9287 2634.4250 0.0000 0.0000 51956.6136 -109401.3954 298.5954 -161358.0089 -109044.3102 298.6153 -87.6842 -52.6718 762196.1199 0.4191 0.5842 PRESSURE: 4633200 81.4645 -43.1755 109.107 -43.1746 108.161 -93.7027 109.107 -93.7029 -219.463 GPRESSURE: 4633200 96.2727 9.09581 72.9734 71.334 111.486 -56.5219 198.625 -75.9494 -148.178 PRESSAVG: 4633200 -2.43062 -16.1581 -38.0685 -16.1581 4.08189 20.364 -38.0685 20.3639 -15.9788 GPRESSAVG: 4633200 -1.61523 -16.8983 -38.6921 -15.4135 3.8837 20.8046 -35.615 22.06 -16.1584 TIMING: 4633200 CPU: 14469.1, 0.00309891/step Wall: 14469.1, 0.00309891/step, 0.315744 hours remaining, 235.687500 MB of memory in use. ENERGY: 4633200 3974.3084 20522.6448 14424.9614 239.3947 -203343.9796 2685.5550 0.0000 0.0000 51878.0326 -109619.0827 298.1438 -161497.1153 -109260.7786 298.6013 -9.9458 19.8601 762913.4100 -4.7759 -4.6300 PRESSURE: 4633400 105.588 37.2686 52.1115 37.2681 115.4 258.895 52.1115 258.895 417.084 GPRESSURE: 4633400 196.714 154.79 60.6463 52.4117 142.411 175.27 20.4011 118.942 373.921 PRESSAVG: 4633400 -71.8949 -20.1175 -3.40184 -20.1175 28.8978 1.90978 -3.40185 1.9097 -47.6623 GPRESSAVG: 4633400 -73.0006 -17.8494 -1.59745 -21.4757 27.912 1.12168 -5.1416 3.4568 -45.6227 TIMING: 4633400 CPU: 14469.8, 0.00309326/step Wall: 14469.8, 0.00309326/step, 0.314997 hours remaining, 235.687500 MB of memory in use. ENERGY: 4633400 3946.9867 20501.4125 14385.3911 252.6473 -203393.4759 3030.1245 0.0000 0.0000 51579.3978 -109697.5161 296.4275 -161276.9139 -109344.8787 298.5003 212.6910 237.6822 762138.6203 -30.2198 -30.2371 PRESSURE: 4633600 13.6756 36.5553 -24.4044 36.5553 148.988 -190.946 -24.4046 -190.946 42.4319 GPRESSURE: 4633600 -50.3865 14.6112 10.6326 200.572 187.711 -247.188 123.823 -76.492 152.445 PRESSAVG: 4633600 -14.4569 2.0595 10.7462 2.05948 -30.9046 7.66447 10.7462 7.66447 12.7755 GPRESSAVG: 4633600 -14.6458 0.101891 7.15176 2.79893 -30.6488 8.28331 13.0721 6.56326 12.1412 TIMING: 4633600 CPU: 14470.4, 0.00311114/step Wall: 14470.4, 0.00311114/step, 0.316644 hours remaining, 235.687500 MB of memory in use. ENERGY: 4633600 3955.5128 20549.6323 14381.9796 243.1415 -203410.1033 2696.3185 0.0000 0.0000 51812.0147 -109771.5039 297.7644 -161583.5186 -109416.0182 298.2241 68.3652 96.5898 761604.1729 -10.8620 -11.0512 PRESSURE: 4633800 -321.767 127.678 -11.035 127.678 -7.86367 -102.16 -11.0343 -102.16 101.232 GPRESSURE: 4633800 -214.834 173.677 8.45996 -73.7724 18.2089 -50.4729 -56.9291 -261.16 54.5001 PRESSAVG: 4633800 -31.1201 -48.8768 -6.98149 -48.8768 -9.61061 16.0223 -6.98148 16.0224 -13.984 GPRESSAVG: 4633800 -31.764 -49.8402 -4.38812 -47.5883 -7.89972 14.8735 -6.92999 16.2557 -14.6319 TIMING: 4633800 CPU: 14471, 0.00309739/step Wall: 14471, 0.00309739/step, 0.315073 hours remaining, 235.687500 MB of memory in use. ENERGY: 4633800 3886.5014 20453.9037 14452.0993 241.9491 -203234.8559 2456.2518 0.0000 0.0000 52030.1226 -109714.0280 299.0178 -161744.1505 -109347.4919 297.7122 -76.1329 -47.3750 762399.2890 -18.2382 -18.0986 PRESSURE: 4634000 -341.992 25.0116 89.8344 25.0119 14.6492 61.7078 89.835 61.7073 -77.2283 GPRESSURE: 4634000 -369.014 -54.1894 56.8765 31.7089 77.2438 66.6861 -7.11506 18.8307 -47.3054 PRESSAVG: 4634000 -21.9688 -9.38198 75.1513 -9.382 -29.5389 -13.0423 75.1513 -13.0423 -9.97488 GPRESSAVG: 4634000 -21.1625 -8.59343 74.1766 -11.0549 -30.5179 -11.6135 74.1682 -13.5102 -9.51187 TIMING: 4634000 CPU: 14471.6, 0.00308211/step Wall: 14471.6, 0.00308211/step, 0.313348 hours remaining, 235.687500 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: 4634000 3965.5292 20511.2387 14406.6977 239.1689 -203049.4219 2309.2648 0.0000 0.0000 51945.4233 -109672.0992 298.5311 -161617.5226 -109316.0903 298.2313 -134.8570 -113.0254 762081.4970 -20.4942 -20.3974 PRESSURE: 4634200 -228.821 258.532 37.4306 258.532 -207.911 -0.949784 37.4301 -0.949487 -243.231 GPRESSURE: 4634200 -191.547 261.099 -29.8096 224.203 -194.358 61.5635 84.5398 -35.6717 -200.949 PRESSAVG: 4634200 -0.556123 -13.404 0.311011 -13.4041 33.5012 12.8496 0.310975 12.8496 -16.4715 GPRESSAVG: 4634200 -1.21192 -12.3403 0.0313624 -12.4932 32.7893 11.4875 0.748191 15.1125 -14.9749 TIMING: 4634200 CPU: 14472.2, 0.00308181/step Wall: 14472.2, 0.00308181/step, 0.313146 hours remaining, 235.687500 MB of memory in use. ENERGY: 4634200 3984.6710 20549.7295 14404.3085 238.8314 -203349.1248 2698.5915 0.0000 0.0000 52090.5508 -109382.4421 299.3651 -161472.9929 -109014.4869 298.9587 -226.6546 -195.6181 761651.9467 5.4912 5.5342 PRESSURE: 4634400 -209.213 -147.425 -72.6554 -147.424 -250.801 -73.4726 -72.6564 -73.4729 -285.964 GPRESSURE: 4634400 -116.846 -118.622 24.0212 -7.28554 -290.263 22.3597 -25.0675 -77.7805 -256.346 PRESSAVG: 4634400 -13.2358 -44.3006 -42.3537 -44.3007 -50.8753 -10.6699 -42.3536 -10.6699 12.0983 GPRESSAVG: 4634400 -12.0419 -44.531 -40.8113 -44.1092 -50.8408 -9.06443 -43.795 -11.6837 11.211 TIMING: 4634400 CPU: 14472.8, 0.00310166/step Wall: 14472.8, 0.00310165/step, 0.31499 hours remaining, 235.687500 MB of memory in use. ENERGY: 4634400 3994.5729 20539.8118 14367.4416 241.5018 -202887.1817 2572.3879 0.0000 0.0000 51838.3349 -109333.1307 297.9156 -161171.4656 -108973.0331 299.2464 -248.6594 -221.1519 764214.5494 -17.3376 -17.2239 PRESSURE: 4634600 210.879 35.5156 209.394 35.5158 -54.0006 316.234 209.394 316.234 193.209 GPRESSURE: 4634600 72.6285 22.1638 185.111 18.0011 106.288 313.16 240.074 369.531 249.098 PRESSAVG: 4634600 10.3345 -7.87501 14.4078 -7.87499 -34.0341 2.05365 14.4078 2.05366 -1.03177 GPRESSAVG: 4634600 9.96465 -8.46973 13.5946 -8.0983 -34.0105 1.49848 15.5759 2.89632 -0.670441 TIMING: 4634600 CPU: 14473.5, 0.00310835/step Wall: 14473.5, 0.00310835/step, 0.315498 hours remaining, 235.687500 MB of memory in use. ENERGY: 4634600 3981.7897 20615.7123 14528.9488 245.7260 -203441.6798 2758.7950 0.0000 0.0000 52179.3040 -109131.4040 299.8752 -161310.7080 -108773.3670 299.4279 116.6960 142.6713 763126.0379 -8.2438 -8.2388 PRESSURE: 4634800 -187.971 -270.158 -201.915 -270.157 -181.139 227.165 -201.915 227.165 -162.162 GPRESSURE: 4634800 -28.8947 -239.743 -241.32 -264.316 -199.028 157.985 -152.492 241.47 -218.519 PRESSAVG: 4634800 -45.0038 6.97515 -52.6331 6.97513 10.5642 44.2666 -52.6331 44.2665 35.3684 GPRESSAVG: 4634800 -45.479 9.15063 -53.68 6.73981 10.3748 43.5606 -52.8041 41.3357 35.0759 TIMING: 4634800 CPU: 14474.1, 0.00311222/step Wall: 14474.1, 0.00311222/step, 0.315717 hours remaining, 235.687500 MB of memory in use. ENERGY: 4634800 4008.3727 20465.5384 14551.2269 258.9792 -203113.5991 2484.9484 0.0000 0.0000 52196.0428 -109148.4906 299.9714 -161344.5335 -108774.5642 300.1124 -177.0906 -148.8139 762658.6566 0.3096 -0.0094 PRESSURE: 4635000 -26.8884 -14.7255 9.14748 -14.7257 -196.003 283.451 9.14751 283.452 -538.312 GPRESSURE: 4635000 5.21981 -107.308 19.9939 -7.1503 -155.698 46.9203 -34.1027 378.597 -520.529 PRESSAVG: 4635000 34.4004 -14.7639 -28.5383 -14.764 0.350753 -26.7944 -28.5384 -26.7945 -28.0646 GPRESSAVG: 4635000 32.8701 -17.017 -28.842 -12.9301 1.74104 -26.913 -29.0039 -26.5152 -28.0358 TIMING: 4635000 CPU: 14474.7, 0.00310404/step Wall: 14474.7, 0.00310404/step, 0.314715 hours remaining, 235.687500 MB of memory in use. ENERGY: 4635000 3978.3403 20736.4817 14486.2184 244.1545 -203014.6480 2518.7461 0.0000 0.0000 52139.8658 -108910.8413 299.6485 -161050.7070 -108545.7514 300.0491 -253.7346 -223.6691 763490.5133 2.2289 2.1918 PRESSURE: 4635200 -288.163 189.908 102.282 189.909 -266.926 158.851 102.282 158.85 -124.971 GPRESSURE: 4635200 -244.34 219.009 122.44 237.061 -263.74 179.684 183.992 160.682 -71.3075 PRESSAVG: 4635200 61.9297 25.2498 63.8653 25.2498 -29.7478 12.1846 63.8653 12.1846 -25.4545 GPRESSAVG: 4635200 62.8287 25.6523 65.1785 23.6081 -30.4532 12.4615 64.3759 14.0506 -25.6103 TIMING: 4635200 CPU: 14475.3, 0.00311199/step Wall: 14475.3, 0.00311198/step, 0.315348 hours remaining, 235.687500 MB of memory in use. ENERGY: 4635200 4009.5969 20540.9931 14518.5817 255.4820 -203249.6539 2665.2210 0.0000 0.0000 52341.7028 -108918.0764 300.8085 -161259.7792 -108547.9989 300.2086 -226.6864 -193.1293 761841.8137 2.2425 2.2551 PRESSURE: 4635400 149.751 -45.8019 -17.7103 -45.8016 128.996 24.1635 -17.71 24.1651 107.35 GPRESSURE: 4635400 96.6134 -137.65 15.1646 133.453 147.71 37.329 16.956 114.448 204.228 PRESSAVG: 4635400 2.87788 -22.353 36.6797 -22.353 11.8611 57.8867 36.6798 57.8867 24.4489 GPRESSAVG: 4635400 2.22737 -21.9963 36.1897 -20.7016 12.1556 58.0448 37.061 58.4826 25.0062 TIMING: 4635400 CPU: 14476, 0.00311575/step Wall: 14476, 0.00311575/step, 0.315556 hours remaining, 235.687500 MB of memory in use. ENERGY: 4635400 3971.7607 20714.3676 14493.8078 244.6237 -203364.6886 2777.4772 0.0000 0.0000 52059.6221 -109103.0296 299.1874 -161162.6517 -108745.9392 300.0990 128.6989 149.5171 761958.7757 13.0626 13.1297 PRESSURE: 4635600 -458.497 -122.823 28.6769 -122.823 -160.289 -36.6223 28.6763 -36.6217 -230.799 GPRESSURE: 4635600 -345.86 -111.652 53.2093 -174.564 -141.601 -56.777 63.5926 -81.0131 -265.879 PRESSAVG: 4635600 -21.2721 -15.9705 18.3842 -15.9705 38.079 31.8031 18.3842 31.8032 -29.2721 GPRESSAVG: 4635600 -18.7501 -15.728 17.124 -17.1745 37.1849 30.6776 18.1093 32.7219 -30.2898 TIMING: 4635600 CPU: 14476.6, 0.00311094/step Wall: 14476.6, 0.00311094/step, 0.314896 hours remaining, 235.687500 MB of memory in use. ENERGY: 4635600 4004.0978 20325.2313 14521.8338 260.9216 -202923.8939 2544.3785 0.0000 0.0000 52255.6191 -109011.8117 300.3138 -161267.4308 -108639.4997 299.8093 -283.1949 -251.1133 765463.6881 -4.1551 -3.9516 PRESSURE: 4635800 44.704 36.5587 -248.017 36.5591 251.363 -107.223 -248.018 -107.224 -43.8076 GPRESSURE: 4635800 58.604 -26.312 -270.112 83.6331 278.86 -90.7502 -141.848 -48.4143 -26.7802 PRESSAVG: 4635800 18.8658 13.1144 4.52859 13.1145 0.611363 18.2272 4.52852 18.2273 15.0939 GPRESSAVG: 4635800 17.7294 12.8638 5.31827 11.2112 1.41191 21.2792 6.01341 17.389 15.5791 TIMING: 4635800 CPU: 14477.2, 0.00310696/step Wall: 14477.2, 0.00310696/step, 0.314321 hours remaining, 235.687500 MB of memory in use. ENERGY: 4635800 3945.1082 20671.5133 14466.8800 242.2441 -203264.0785 2867.4094 0.0000 0.0000 52231.4862 -108839.4374 300.1751 -161070.9235 -108476.7905 300.1503 84.0864 103.5612 763250.1629 11.5237 11.5735 PRESSURE: 4636000 -161.558 -304.76 -81.0407 -304.76 3.56901 16.4393 -81.0405 16.4388 -124.365 GPRESSURE: 4636000 -154.791 -287.826 -60.5236 -264.554 81.146 0.909869 -192.833 60.1169 -136.453 PRESSAVG: 4636000 -46.7225 -41.6397 -10.5506 -41.6397 66.6218 -10.7122 -10.5506 -10.7122 -4.69195 GPRESSAVG: 4636000 -46.9531 -42.3715 -11.9937 -37.3777 66.7293 -13.0778 -12.8515 -8.90283 -4.62955 TIMING: 4636000 CPU: 14477.8, 0.00309605/step Wall: 14477.8, 0.00309605/step, 0.313045 hours remaining, 235.687500 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: 4636000 4058.2720 20621.2449 14491.8506 224.1956 -203240.5584 2858.1171 0.0000 0.0000 51958.9988 -109027.8794 298.6091 -160986.8782 -108667.3374 300.2841 -94.1179 -70.0324 765910.0451 5.0691 5.0489 PRESSURE: 4636200 62.9659 176.732 -20.8644 176.732 -189.97 173.896 -20.8649 173.897 190.969 GPRESSURE: 4636200 1.67352 214.555 -97.3317 -2.19198 -92.101 94.1307 50.7479 52.3482 251.843 PRESSAVG: 4636200 -25.0453 16.2236 -13.7178 16.2237 21.1701 -22.1502 -13.7177 -22.1502 13.4672 GPRESSAVG: 4636200 -24.7689 15.2713 -13.3591 12.8503 20.4034 -20.6913 -12.7237 -24.1239 13.5012 TIMING: 4636200 CPU: 14478.4, 0.00309278/step Wall: 14478.4, 0.00309278/step, 0.312543 hours remaining, 235.687500 MB of memory in use. ENERGY: 4636200 4042.7841 20563.5852 14424.3096 240.3507 -203263.1828 2656.9934 0.0000 0.0000 52081.9837 -109253.1760 299.3159 -161335.1597 -108892.6569 299.5401 21.3219 53.8050 764573.8031 3.1973 3.0452 LDB: ============= START OF LOAD BALANCING ============== 14490.9 LDB: ============== END OF LOAD BALANCING =============== 14490.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14490.9 LDB: ============= START OF LOAD BALANCING ============== 14491.2 LDB: Largest compute 7026 load 0.033269 is 17.0% of average load 0.195266 LDB: Average compute 0.004405 is 2.3% of average load 0.195266 LDB: TIME 14491.2 LOAD: AVG 0.195266 MAX 0.220328 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.496 MB LDB: TIME 14491.2 LOAD: AVG 0.195266 MAX 0.220328 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.68 MB LDB: TIME 14491.2 LOAD: AVG 0.195266 MAX 0.217578 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.68 MB LDB: ============== END OF LOAD BALANCING =============== 14491.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14491.2 PRESSURE: 4636400 -104.629 35.0879 23.6138 35.0876 5.5952 -113.122 23.614 -113.122 -528.567 GPRESSURE: 4636400 -21.923 59.0503 9.33515 102.615 -21.426 -61.4374 83.5821 -245.318 -498.47 PRESSAVG: 4636400 -45.7963 -0.429526 20.0289 -0.429561 -1.59563 -34.8047 20.029 -34.8046 -27.6516 GPRESSAVG: 4636400 -45.2535 1.91652 20.6369 -0.0642442 -2.24761 -34.4988 18.1818 -35.0329 -27.2764 TIMING: 4636400 CPU: 14479.1, 0.0031678/step Wall: 14479.1, 0.0031678/step, 0.319948 hours remaining, 233.941406 MB of memory in use. ENERGY: 4636400 3948.6574 20366.6377 14475.0212 249.9816 -203347.7725 2545.2870 0.0000 0.0000 52450.0224 -109312.1652 301.4310 -161762.1876 -108930.1044 299.2119 -209.2002 -180.6065 764660.6874 -25.0145 -24.9258 PRESSURE: 4636600 75.2428 -248.808 -89.1467 -248.807 91.2531 4.7019 -89.1464 4.70182 20.0066 GPRESSURE: 4636600 88.8039 -181.801 -97.1651 -190.627 172.725 58.6016 121.145 -24.5997 1.91495 PRESSAVG: 4636600 7.35499 43.0285 24.0448 43.0286 37.9186 39.5349 24.0448 39.5349 10.1825 GPRESSAVG: 4636600 6.83883 40.7889 22.8741 43.1761 38.8039 38.2382 26.1132 40.6134 9.55635 TIMING: 4636600 CPU: 14479.7, 0.00310933/step Wall: 14479.7, 0.00310933/step, 0.31387 hours remaining, 233.941406 MB of memory in use. ENERGY: 4636600 4023.9637 20427.4332 14421.2069 261.1992 -203748.6861 2851.4682 0.0000 0.0000 52430.0969 -109333.3178 301.3165 -161763.4148 -108959.6510 299.5940 62.1675 87.8146 763693.9458 18.4853 18.3997 PRESSURE: 4636800 -166.835 40.9333 36.7759 40.9332 -258.651 -154.463 36.7757 -154.463 -422.031 GPRESSURE: 4636800 -100.031 93.2161 107.079 -14.7753 -208.061 -166.013 53.7472 -136.72 -470.381 PRESSAVG: 4636800 7.89912 15.4437 69.7635 15.4436 10.7729 13.7625 69.7635 13.7625 17.5702 GPRESSAVG: 4636800 7.26878 17.5154 70.4132 15.1883 10.333 15.9054 70.3496 14.4283 18.5113 TIMING: 4636800 CPU: 14480.3, 0.0031061/step Wall: 14480.3, 0.0031061/step, 0.313371 hours remaining, 233.941406 MB of memory in use. ENERGY: 4636800 4004.1246 20715.6450 14493.4256 262.5916 -203434.3600 2458.7475 0.0000 0.0000 51980.9040 -109518.9215 298.7350 -161499.8255 -109159.4652 299.2242 -282.5057 -259.4910 762617.1498 12.0808 12.0377 PRESSURE: 4637000 56.0147 -53.7208 133.933 -53.7215 167.284 284.49 133.933 284.491 -406.447 GPRESSURE: 4637000 98.9647 -57.8189 188.441 -88.4521 103.71 318.579 187.979 287.287 -316.212 PRESSAVG: 4637000 -37.5355 38.6893 17.6362 38.6893 34.0927 -31.3936 17.6362 -31.3935 4.287 GPRESSAVG: 4637000 -35.8971 38.2911 19.6963 39.436 33.5789 -31.5055 16.8492 -32.0789 2.96263 TIMING: 4637000 CPU: 14480.9, 0.00311997/step Wall: 14480.9, 0.00311997/step, 0.314597 hours remaining, 233.941406 MB of memory in use. ENERGY: 4637000 4000.8549 20614.2179 14445.1611 246.9080 -203147.9698 2539.4508 0.0000 0.0000 52053.0078 -109248.3691 299.1494 -161301.3769 -108884.6486 299.5274 -61.0494 -37.8457 763999.8776 0.2814 0.2148 PRESSURE: 4637200 45.8258 129.784 -227.446 129.785 233.795 -98.9298 -227.446 -98.9301 395.79 GPRESSURE: 4637200 66.3934 190.151 -222.748 56.902 254.208 -86.9972 -239.451 -170.338 426.234 PRESSAVG: 4637200 -80.8832 -5.96488 -17.5591 -5.96489 32.8126 -32.0914 -17.5591 -32.0913 -11.1888 GPRESSAVG: 4637200 -82.9098 -5.81777 -17.6961 -6.90454 33.1144 -33.5764 -18.6764 -32.1284 -10.0766 TIMING: 4637200 CPU: 14481.6, 0.0031199/step Wall: 14481.6, 0.00311991/step, 0.314417 hours remaining, 233.941406 MB of memory in use. ENERGY: 4637200 4049.6435 20468.2815 14496.8490 268.8926 -203700.8119 2967.5415 0.0000 0.0000 52296.4994 -109153.1044 300.5487 -161449.6038 -108781.4906 299.5095 225.1370 248.9451 762094.5844 -19.7531 -19.9573 PRESSURE: 4637400 59.4479 132.403 -38.9492 132.402 -260.298 -317.733 -38.9494 -317.732 146.058 GPRESSURE: 4637400 -8.2349 89.6618 -30.9036 196.057 -153.169 -426.097 -0.886156 -222.237 198.828 PRESSAVG: 4637400 -28.9045 -7.21156 -25.2831 -7.21154 48.1388 -32.4023 -25.2831 -32.4024 -10.3879 GPRESSAVG: 4637400 -27.0393 -7.4924 -26.0349 -5.29978 47.292 -31.2987 -23.6038 -33.0727 -11.3318 TIMING: 4637400 CPU: 14482.2, 0.00311059/step Wall: 14482.2, 0.00311059/step, 0.313306 hours remaining, 233.941406 MB of memory in use. ENERGY: 4637400 3965.3883 20663.1278 14446.3313 250.6255 -203291.1791 2588.6756 0.0000 0.0000 52173.8738 -109203.1568 299.8440 -161377.0306 -108836.3232 299.6611 -18.2639 12.4749 762399.4043 2.9488 2.9736 PRESSURE: 4637600 -279.161 59.0389 -182.921 59.0389 -172.095 119.77 -182.92 119.769 10.6554 GPRESSURE: 4637600 -228.729 99.8581 -178.799 105.021 -136.857 59.9622 -118.03 161.535 18.9392 PRESSAVG: 4637600 -29.8513 -18.9842 -2.73318 -18.9841 22.9987 -15.9405 -2.73314 -15.9404 -19.0064 GPRESSAVG: 4637600 -30.4432 -18.4641 -3.78 -19.5228 23.0367 -15.8371 0.632854 -15.3546 -18.6154 TIMING: 4637600 CPU: 14482.8, 0.00311405/step Wall: 14482.8, 0.00311405/step, 0.313481 hours remaining, 233.941406 MB of memory in use. ENERGY: 4637600 4048.5608 20579.5905 14466.2481 246.6202 -203627.4608 2991.0817 0.0000 0.0000 52388.0715 -108907.2880 301.0750 -161295.3595 -108539.4633 299.7087 -146.8669 -115.5488 762920.3145 -8.6196 -8.6740 PRESSURE: 4637800 211.987 291.032 76.0407 291.032 646.98 143.024 76.0415 143.025 622.373 GPRESSURE: 4637800 272.643 267.819 -54.6474 229.828 645.513 93.8752 34.7887 -15.0306 638.128 PRESSAVG: 4637800 -36.1914 -19.2141 37.0839 -19.2141 46.7928 -15.6065 37.0839 -15.6065 -31.8519 GPRESSAVG: 4637800 -36.9384 -21.2081 37.9754 -18.8794 47.2022 -16.0547 34.0407 -14.2025 -31.7165 TIMING: 4637800 CPU: 14483.4, 0.00312174/step Wall: 14483.4, 0.00312174/step, 0.314082 hours remaining, 233.953125 MB of memory in use. ENERGY: 4637800 3951.2398 20672.8906 14493.1014 258.0965 -203460.1321 2907.3998 0.0000 0.0000 52206.7041 -108970.6999 300.0326 -161177.4040 -108602.3043 300.1307 493.7800 518.7612 763252.6127 -7.0835 -7.1509 PRESSURE: 4638000 -259.638 -16.1932 -77.3128 -16.1933 -169.215 -14.797 -77.3124 -14.796 80.4834 GPRESSURE: 4638000 -177.657 -56.4222 -32.3617 -104.729 -196.163 32.0187 -79.6748 -171.22 108.63 PRESSAVG: 4638000 -74.3322 3.60158 20.6112 3.60165 68.2816 11.4175 20.6112 11.4175 16.4425 GPRESSAVG: 4638000 -74.4051 5.77625 20.3853 2.16247 68.5519 12.9314 19.9415 8.76853 15.7931 TIMING: 4638000 CPU: 14484.1, 0.00309928/step Wall: 14484.1, 0.00309928/step, 0.31165 hours remaining, 233.953125 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: 4638000 3979.5611 20499.4383 14508.9879 249.3868 -202667.7178 2339.3402 0.0000 0.0000 52135.5536 -108955.4500 299.6237 -161091.0036 -108585.9137 299.8696 -116.1230 -88.3966 764494.1568 3.4640 3.3133 PRESSURE: 4638200 -109.299 247.845 -17.7695 247.845 -250.395 -158.325 -17.7698 -158.325 -54.8736 GPRESSURE: 4638200 -52.1312 180.366 -123.567 237.805 -187.665 -219.204 150.099 -73.0928 -82.0179 PRESSAVG: 4638200 -53.2401 37.8554 31.2161 37.8554 34.755 42.9603 31.2162 42.9603 0.384503 GPRESSAVG: 4638200 -52.6567 35.4816 30.3809 38.2451 33.6884 41.414 32.3016 44.847 0.609455 TIMING: 4638200 CPU: 14484.7, 0.00310392/step Wall: 14484.7, 0.00310392/step, 0.311944 hours remaining, 233.953125 MB of memory in use. ENERGY: 4638200 3961.6230 20691.7108 14466.6960 242.6226 -202838.2500 2413.8015 0.0000 0.0000 52288.8138 -108772.9823 300.5045 -161061.7961 -108419.2219 300.2205 -138.1894 -107.2713 763356.5347 -6.0335 -6.1196 PRESSURE: 4638400 98.8946 150.664 109.778 150.664 190.807 -10.7897 109.778 -10.7883 174.855 GPRESSURE: 4638400 191.784 78.4875 121.223 35.2185 201.59 -75.2921 -55.1196 25.3607 191.39 PRESSAVG: 4638400 -3.05328 45.6456 10.9126 45.6456 13.3046 43.809 10.9126 43.8089 11.8685 GPRESSAVG: 4638400 -3.24665 46.1938 11.4776 44.7181 13.8684 43.9742 11.0536 45.2712 11.5394 TIMING: 4638400 CPU: 14485.3, 0.00309949/step Wall: 14485.3, 0.00309949/step, 0.311327 hours remaining, 233.953125 MB of memory in use. ENERGY: 4638400 3995.6094 20468.8678 14456.3829 250.1230 -203165.3196 2871.5851 0.0000 0.0000 52227.1726 -108895.5787 300.1503 -161122.7513 -108528.9086 300.0105 154.8524 194.9214 762495.4236 7.3732 7.3871 PRESSURE: 4638600 81.415 -46.5032 131.309 -46.5033 -317.243 -3.97397 131.309 -3.9724 -345.794 GPRESSURE: 4638600 24.6216 -43.0032 103.195 -81.0545 -212.223 -59.0439 150.867 -60.09 -301.351 PRESSAVG: 4638600 36.7747 0.134709 5.5383 0.134653 -6.41278 8.62934 5.53828 8.62937 -9.3752 GPRESSAVG: 4638600 36.7072 -0.135629 6.92613 1.23562 -6.31953 10.5291 3.98513 7.23692 -9.18686 TIMING: 4638600 CPU: 14485.9, 0.00311433/step Wall: 14485.9, 0.00311433/step, 0.312644 hours remaining, 233.953125 MB of memory in use. ENERGY: 4638600 3950.1306 20529.7389 14534.5566 242.7813 -202931.3642 2577.7775 0.0000 0.0000 52427.8569 -108668.5223 301.3036 -161096.3792 -108300.9889 299.9609 -193.8738 -162.9840 766394.2885 6.9956 7.0670 PRESSURE: 4638800 -232.343 95.3196 -65.8707 95.3205 -551.038 -64.8937 -65.8697 -64.8942 -304.722 GPRESSURE: 4638800 -188.573 97.2542 -156.426 67.2715 -427.363 -9.73124 -90.0567 -1.52118 -378.861 PRESSAVG: 4638800 -9.42159 -9.05487 26.8986 -9.05486 27.4165 -25.0197 26.8986 -25.0198 1.32713 GPRESSAVG: 4638800 -10.2997 -6.01237 24.6376 -11.857 28.3367 -25.4145 28.4913 -24.9091 1.19207 TIMING: 4638800 CPU: 14486.5, 0.00312021/step Wall: 14486.5, 0.00312021/step, 0.313061 hours remaining, 233.953125 MB of memory in use. ENERGY: 4638800 4069.3117 20587.1567 14410.9997 239.2655 -202744.4741 2508.1086 0.0000 0.0000 52334.9332 -108594.6987 300.7696 -160929.6319 -108227.5992 300.0396 -362.7010 -331.5989 765945.5902 6.4407 6.4097 PRESSURE: 4639000 3.45497 -144.291 -3.2066 -144.292 199 -23.7872 -3.20671 -23.7875 260.86 GPRESSURE: 4639000 74.0516 -101.965 -34.1759 -225.352 178.853 -44.8916 21.417 51.8949 272.303 PRESSAVG: 4639000 13.2393 -31.6343 40.1741 -31.6343 -11.2515 -66.0854 40.1741 -66.0855 12.3078 GPRESSAVG: 4639000 12.7952 -34.4122 40.4799 -28.6352 -11.6406 -64.7611 40.3911 -65.4612 12.8418 TIMING: 4639000 CPU: 14487.2, 0.00313257/step Wall: 14487.2, 0.00313257/step, 0.314127 hours remaining, 233.953125 MB of memory in use. ENERGY: 4639000 4013.0760 20616.6119 14391.4895 245.4276 -202610.5209 2574.5840 0.0000 0.0000 52012.4367 -108756.8951 298.9162 -160769.3317 -108393.8988 299.8301 154.4383 175.0691 765070.5038 4.7652 4.6655 PRESSURE: 4639200 65.868 -14.4909 247.076 -14.4914 -80.5437 1.76661 247.076 1.76602 195.322 GPRESSURE: 4639200 137.013 -57.3958 252.986 -64.8945 -64.6915 0.260439 197.066 -1.33857 204.763 PRESSAVG: 4639200 16.5145 -32.7326 13.1288 -32.7327 -20.8767 -30.804 13.1288 -30.804 10.3665 GPRESSAVG: 4639200 16.7937 -32.9623 14.8617 -34.4039 -21.4204 -33.2811 11.8833 -32.0251 10.4711 TIMING: 4639200 CPU: 14487.8, 0.00311616/step Wall: 14487.8, 0.00311616/step, 0.312308 hours remaining, 233.953125 MB of memory in use. ENERGY: 4639200 4092.2765 20438.1404 14500.4849 248.1800 -203176.9814 2851.2433 0.0000 0.0000 52225.7856 -108820.8705 300.1423 -161046.6562 -108462.0350 299.6147 60.2155 92.3612 763308.6146 2.0014 1.9481 PRESSURE: 4639400 -88.9711 88.3477 -16.105 88.348 -94.6177 -10.6522 -16.1038 -10.6525 31.6831 GPRESSURE: 4639400 -39.9884 12.1222 -23.7619 11.2335 -93.158 -56.9411 93.5831 -8.65158 61.4296 PRESSAVG: 4639400 31.8662 3.26651 65.6951 3.26652 -16.5842 18.9384 65.6952 18.9384 5.91578 GPRESSAVG: 4639400 32.0213 2.18437 63.3007 4.17271 -16.6471 19.7862 67.1735 19.6758 5.1078 TIMING: 4639400 CPU: 14488.4, 0.00310237/step Wall: 14488.4, 0.00310237/step, 0.310754 hours remaining, 233.953125 MB of memory in use. ENERGY: 4639400 4042.4048 20542.4716 14513.5015 239.5472 -202383.5163 2436.5116 0.0000 0.0000 51886.0288 -108723.0508 298.1897 -160609.0796 -108372.0895 300.1963 -50.6352 -23.9056 764641.5573 7.0659 6.8273 PRESSURE: 4639600 85.9995 19.6799 33.8549 19.6803 -468.613 212.689 33.8551 212.689 -620.919 GPRESSURE: 4639600 17.6121 24.6764 68.0815 -21.4925 -390.718 164.744 85.3029 233.222 -525.458 PRESSAVG: 4639600 -27.6178 14.9952 -27.7839 14.9951 7.74725 34.3996 -27.7839 34.3996 -9.12937 GPRESSAVG: 4639600 -28.1474 17.0393 -26.3979 14.98 6.98052 33.5473 -27.5318 33.1149 -7.9519 TIMING: 4639600 CPU: 14489, 0.00310741/step Wall: 14489, 0.00310741/step, 0.311086 hours remaining, 233.953125 MB of memory in use. ENERGY: 4639600 4046.8744 20566.2972 14481.4346 245.8117 -202703.0664 2454.7990 0.0000 0.0000 52186.2522 -108721.5973 299.9151 -160907.8495 -108358.1338 300.1867 -334.5109 -299.5213 764100.2462 -9.6666 -9.7062 PRESSURE: 4639800 -451.897 -150.985 124.191 -150.984 288.836 30.157 124.191 30.1561 -141.088 GPRESSURE: 4639800 -369.079 -108.841 121.517 -137.621 330.181 -5.27908 20.9456 -96.7484 -173.129 PRESSAVG: 4639800 -14.3595 -29.5255 -10.8284 -29.5255 -2.20211 13.0622 -10.8284 13.0621 -0.648426 GPRESSAVG: 4639800 -14.938 -30.1162 -9.23847 -28.9626 -1.54565 12.2494 -11.84 12.1761 -1.1354 TIMING: 4639800 CPU: 14489.6, 0.00309294/step Wall: 14489.6, 0.00309294/step, 0.309466 hours remaining, 233.953125 MB of memory in use. ENERGY: 4639800 3957.9174 20377.7854 14517.9953 253.7376 -203220.9993 2681.9149 0.0000 0.0000 52430.2128 -109001.4359 301.3172 -161431.6487 -108625.2478 300.2655 -101.3830 -70.6757 763047.0348 -5.7367 -5.8730 PRESSURE: 4640000 82.174 -23.3922 71.2993 -23.3921 -231.319 83.9196 71.2988 83.9206 -308.59 GPRESSURE: 4640000 100.844 23.1096 154.805 -67.3462 -237.736 126.922 80.9249 -34.1237 -232.463 PRESSAVG: 4640000 36.3615 16.6075 -54.1523 16.6075 -29.9457 14.9639 -54.1523 14.964 -10.4918 GPRESSAVG: 4640000 35.9771 17.5741 -54.2276 17.2498 -29.6343 15.4308 -56.0251 15.6817 -10.5192 TIMING: 4640000 CPU: 14490.3, 0.00309333/step Wall: 14490.3, 0.00309333/step, 0.309333 hours remaining, 233.953125 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: 4640000 3971.8905 20399.7378 14524.2043 234.9419 -203038.0285 2551.2314 0.0000 0.0000 52225.2164 -109130.8061 300.1390 -161356.0225 -108769.5903 299.5610 -152.5786 -123.1185 762604.6479 -1.3586 -1.3921 PRESSURE: 4640200 -194.413 -78.4963 -49.7631 -78.4958 430.176 74.8811 -49.7626 74.8799 365.733 GPRESSURE: 4640200 -97.6293 -73.3299 -67.6736 -121.588 475.907 86.3483 -200.684 -0.936277 316.099 PRESSAVG: 4640200 34.1082 13.4749 -44.347 13.4749 -7.03813 -3.23183 -44.347 -3.23194 -2.36344 GPRESSAVG: 4640200 35.8076 13.6973 -44.5348 10.6102 -8.07046 -3.02152 -43.498 -1.53455 -3.23381 TIMING: 4640200 CPU: 14490.9, 0.00309098/step Wall: 14490.9, 0.00309098/step, 0.308927 hours remaining, 233.953125 MB of memory in use. ENERGY: 4640200 3972.4969 20250.5176 14524.7032 251.1874 -202954.8764 2575.4274 0.0000 0.0000 52299.4889 -109081.0550 300.5659 -161380.5439 -108714.9610 299.5387 200.4989 231.4589 762234.0873 8.2355 8.1678 LDB: ============= START OF LOAD BALANCING ============== 14503.4 LDB: ============== END OF LOAD BALANCING =============== 14503.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14503.4 LDB: ============= START OF LOAD BALANCING ============== 14503.7 LDB: Largest compute 7037 load 0.029890 is 15.3% of average load 0.195442 LDB: Average compute 0.004396 is 2.2% of average load 0.195442 LDB: TIME 14503.7 LOAD: AVG 0.195442 MAX 0.216564 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.031 MB LDB: TIME 14503.7 LOAD: AVG 0.195442 MAX 0.216564 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.031 MB LDB: TIME 14503.7 LOAD: AVG 0.195442 MAX 0.216564 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.031 MB LDB: ============== END OF LOAD BALANCING =============== 14503.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14503.7 PRESSURE: 4640400 282.675 -200.859 -118.807 -200.858 -201.999 280.363 -118.806 280.363 152.109 GPRESSURE: 4640400 288.441 -238.296 -151.109 -165.351 -112.892 287.947 -41.984 287.12 158.119 PRESSAVG: 4640400 56.6288 32.0223 -45.4535 32.0223 -62.0142 30.4126 -45.4535 30.4126 17.8065 GPRESSAVG: 4640400 57.6005 29.3164 -46.7228 33.9854 -62.3484 30.532 -43.5029 30.2695 18.4373 TIMING: 4640400 CPU: 14491.5, 0.00316305/step Wall: 14491.5, 0.00316305/step, 0.315954 hours remaining, 234.042969 MB of memory in use. ENERGY: 4640400 4012.3420 20462.5921 14460.3880 243.4618 -203092.8838 2531.3540 0.0000 0.0000 52074.4988 -109308.2470 299.2729 -161382.7458 -108943.7440 299.5490 77.5951 111.2226 762087.8744 4.1404 4.5631 PRESSURE: 4640600 -216.163 -102.817 -16.7365 -102.817 -308.914 2.46076 -16.7351 2.46002 -36.4153 GPRESSURE: 4640600 -205.505 -30.7809 9.29404 -73.8463 -198.381 -41.9672 41.0777 32.7499 -93.9706 PRESSAVG: 4640600 55.7467 12.1521 -92.9251 12.1521 -40.8319 15.8334 -92.9251 15.8334 2.24736 GPRESSAVG: 4640600 54.7725 14.4813 -91.5496 10.432 -39.5273 15.3215 -93.9182 16.1814 1.92817 TIMING: 4640600 CPU: 14492.1, 0.00309334/step Wall: 14492.1, 0.00309334/step, 0.308818 hours remaining, 234.042969 MB of memory in use. ENERGY: 4640600 4028.3756 20483.4788 14493.4450 238.5453 -202916.8717 2406.9746 0.0000 0.0000 52051.0402 -109215.0122 299.1380 -161266.0524 -108853.2439 298.8798 -187.1642 -165.9521 762399.7771 5.7207 5.7245 PRESSURE: 4640800 65.0196 -57.6784 88.9856 -57.6789 -204.349 167.301 88.9851 167.302 -170.521 GPRESSURE: 4640800 133.057 -204.651 76.2692 37.0937 -241.145 107.758 99.546 58.4929 -110.677 PRESSAVG: 4640800 45.2039 -9.58259 7.99968 -9.58263 -57.4996 28.2209 7.99967 28.221 10.5848 GPRESSAVG: 4640800 45.7622 -12.2524 7.62471 -7.09414 -57.8968 28.6525 7.20362 30.6135 10.758 TIMING: 4640800 CPU: 14492.8, 0.00307545/step Wall: 14492.8, 0.00307545/step, 0.306862 hours remaining, 234.042969 MB of memory in use. ENERGY: 4640800 3977.3596 20617.2619 14482.7565 251.4586 -203125.9437 2639.4136 0.0000 0.0000 51937.5035 -109220.1900 298.4855 -161157.6935 -108867.8583 299.1581 -103.2836 -72.9215 762837.1827 -0.5703 -0.4589 PRESSURE: 4641000 68.3764 -6.09239 -32.1093 -6.09315 28.3043 33.2822 -32.1092 33.2826 307.525 GPRESSURE: 4641000 139.15 -40.9187 78.5883 -77.0348 41.7386 55.0395 -95.3307 42.524 304.283 PRESSAVG: 4641000 34.5075 -32.7771 17.7669 -32.7771 18.6533 20.3298 17.7669 20.3299 24.6919 GPRESSAVG: 4641000 35.6101 -30.6733 19.3631 -33.6728 17.5255 22.6258 17.9626 14.2074 25.262 TIMING: 4641000 CPU: 14493.4, 0.00310129/step Wall: 14493.4, 0.00310129/step, 0.309268 hours remaining, 234.042969 MB of memory in use. ENERGY: 4641000 3979.1121 20463.7793 14450.8347 249.7026 -203181.3330 2953.1900 0.0000 0.0000 52063.1020 -109021.6123 299.2074 -161084.7143 -108667.3879 299.5347 134.7352 161.7241 761511.6859 25.9509 26.1325 PRESSURE: 4641200 -17.6552 70.2402 -1.25314 70.2401 -188.376 -181.774 -1.25375 -181.773 -257.788 GPRESSURE: 4641200 -56.1188 78.5593 34.7175 9.29222 -99.5375 -225.38 76.6569 -228.31 -236.583 PRESSAVG: 4641200 44.033 -1.37996 33.9304 -1.37997 -74.9791 16.1838 33.9305 16.1837 -2.48257 GPRESSAVG: 4641200 41.6986 -1.28964 32.3165 -3.8589 -72.5839 14.1178 35.6563 20.4372 -2.78483 TIMING: 4641200 CPU: 14494, 0.00312449/step Wall: 14494, 0.00312449/step, 0.311407 hours remaining, 234.042969 MB of memory in use. ENERGY: 4641200 4027.0326 20510.6980 14578.5992 248.0505 -203176.4157 2646.7314 0.0000 0.0000 51945.3960 -109219.9079 298.5309 -161165.3039 -108857.2848 299.2860 -154.6064 -130.7464 764116.9814 -11.1429 -11.2233 PRESSURE: 4641400 -351.127 378.757 133.185 378.757 208.661 -198.325 133.185 -198.326 -199.252 GPRESSURE: 4641400 -186.849 300.815 68.7518 375.032 169.713 -175.3 79.2797 -135.51 -230.759 PRESSAVG: 4641400 38.3724 6.47466 -6.63069 6.47459 -26.4479 22.4581 -6.63065 22.4581 4.56573 GPRESSAVG: 4641400 39.1304 7.4199 -6.96324 7.52452 -27.5569 22.3509 -8.0077 22.9549 4.81133 TIMING: 4641400 CPU: 14494.6, 0.00309709/step Wall: 14494.6, 0.00309709/step, 0.308505 hours remaining, 234.042969 MB of memory in use. ENERGY: 4641400 4007.5602 20563.9073 14481.2704 247.1802 -203149.4815 2621.5617 0.0000 0.0000 51938.8437 -109289.1579 298.4932 -161228.0016 -108914.7270 298.8141 -113.9061 -82.6316 763959.1157 5.4967 5.4616 PRESSURE: 4641600 -232.979 -166.957 -196.405 -166.956 -338.922 167.301 -196.405 167.3 -244.736 GPRESSURE: 4641600 -312.09 -56.2621 -182.823 -172.423 -229.271 226.073 -91.9329 181.639 -196.201 PRESSAVG: 4641600 -28.1134 -10.602 -25.7572 -10.602 -4.02727 79.1454 -25.7573 79.1455 -16.0348 GPRESSAVG: 4641600 -26.9806 -11.9035 -26.1455 -10.3303 -5.19943 79.481 -25.7584 80.5112 -16.023 TIMING: 4641600 CPU: 14495.2, 0.0030842/step Wall: 14495.2, 0.0030842/step, 0.307049 hours remaining, 234.042969 MB of memory in use. ENERGY: 4641600 3949.3234 20587.5238 14549.6745 243.9997 -203095.5439 2565.4322 0.0000 0.0000 51928.9195 -109270.6708 298.4362 -161199.5903 -108905.1025 298.9286 -272.2123 -245.8538 765044.8252 -16.0585 -16.0677 PRESSURE: 4641800 -87.6188 -124.194 -20.8957 -124.194 74.1348 -26.6696 -20.8961 -26.6697 -489.319 GPRESSURE: 4641800 -41.005 -130.352 -51.5281 -62.8401 50.5114 -74.8063 -135.356 85.2567 -430.12 PRESSAVG: 4641800 -50.0031 -63.3777 7.45739 -63.3777 34.7289 -5.44781 7.45735 -5.44779 2.47719 GPRESSAVG: 4641800 -51.432 -62.2717 6.92524 -61.6385 34.6179 -4.2188 8.76308 -7.4669 3.55256 TIMING: 4641800 CPU: 14495.8, 0.00308049/step Wall: 14495.8, 0.00308049/step, 0.306509 hours remaining, 234.042969 MB of memory in use. ENERGY: 4641800 4017.5775 20616.4337 14464.9868 270.4568 -202974.6649 2671.5771 0.0000 0.0000 51819.3542 -109114.2788 297.8065 -160933.6330 -108752.5250 299.2832 -167.6011 -140.2046 763467.0646 -4.2656 -4.4205 PRESSURE: 4642000 -132.638 175.956 80.1975 175.956 233.121 -2.93281 80.1976 -2.93279 125.788 GPRESSURE: 4642000 -135.279 90.9147 87.8025 138.061 258.714 -31.544 81.3815 46.2303 200.414 PRESSAVG: 4642000 -23.633 -40.6341 16.0797 -40.6341 -0.394165 48.5719 16.0797 48.5719 -11.7115 GPRESSAVG: 4642000 -24.18 -41.9714 15.6115 -43.3553 0.175511 48.641 15.2433 46.3726 -11.9774 TIMING: 4642000 CPU: 14496.5, 0.00308771/step Wall: 14496.5, 0.00308771/step, 0.307056 hours remaining, 234.042969 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: 4642000 4060.9285 20585.2424 14528.3589 265.1945 -203046.4757 2829.5216 0.0000 0.0000 51986.4208 -108790.8089 298.7667 -160777.2297 -108438.1817 299.7193 75.4237 107.9498 761420.4212 -11.9129 -11.9940 PRESSURE: 4642200 -4.68159 198.11 111.234 198.11 -391.656 -94.1558 111.234 -94.1556 -150.895 GPRESSURE: 4642200 51.1418 115.953 83.6612 159.287 -412.459 -148.494 158.055 -86.2323 -116.125 PRESSAVG: 4642200 20.4654 -54.0138 -43.0284 -54.0139 -26.2816 31.0872 -43.0285 31.0873 24.2257 GPRESSAVG: 4642200 20.5587 -53.1904 -41.4625 -53.3081 -26.6264 29.4802 -42.8835 32.8632 24.5321 TIMING: 4642200 CPU: 14497.1, 0.00309525/step Wall: 14497.1, 0.00309525/step, 0.307634 hours remaining, 234.042969 MB of memory in use. ENERGY: 4642200 4053.8822 20672.8800 14462.5108 237.3215 -203091.8516 2589.5076 0.0000 0.0000 52171.3673 -108904.3822 299.8296 -161075.7495 -108544.5155 300.3461 -182.4109 -159.1473 763026.7774 6.1365 6.1548 PRESSURE: 4642400 -182.305 4.75705 79.5745 4.75769 484.916 49.9399 79.5745 49.9395 376.466 GPRESSURE: 4642400 -57.7501 92.5414 154.342 120.872 454.749 60.1422 -11.9067 46.667 374.489 PRESSAVG: 4642400 2.60962 22.0137 -32.9959 22.0137 -0.519821 -0.221905 -32.9959 -0.221911 -12.6903 GPRESSAVG: 4642400 3.70749 22.8468 -32.7856 20.674 -1.19434 0.290107 -33.0909 1.40382 -13.3322 TIMING: 4642400 CPU: 14497.7, 0.00311322/step Wall: 14497.7, 0.00311322/step, 0.309246 hours remaining, 234.042969 MB of memory in use. ENERGY: 4642400 4000.0260 20783.0020 14486.1851 258.7997 -203292.3816 2785.0815 0.0000 0.0000 52111.8231 -108867.4642 299.4874 -160979.2873 -108508.7449 300.0752 226.3590 257.1627 764013.8249 -3.5335 -3.6064 PRESSURE: 4642600 -157.901 129.961 -130.28 129.961 -158.144 -72.2216 -130.28 -72.2214 11.272 GPRESSURE: 4642600 -196.322 72.7994 -108.136 43.5285 -127.968 -89.4221 -58.4542 -62.2219 101.603 PRESSAVG: 4642600 -43.6606 21.8416 -32.7572 21.8416 28.261 16.9669 -32.7572 16.967 -2.99167 GPRESSAVG: 4642600 -44.5621 19.6644 -32.264 23.859 29.4353 15.8568 -32.7226 15.2649 -2.83099 TIMING: 4642600 CPU: 14498.3, 0.00310243/step Wall: 14498.3, 0.00310243/step, 0.308002 hours remaining, 234.042969 MB of memory in use. ENERGY: 4642600 3997.9200 20717.5219 14474.3904 250.0824 -203162.0883 2602.3304 0.0000 0.0000 52221.0353 -108898.8078 300.1150 -161119.8431 -108527.8019 300.4666 -101.5911 -74.2289 762888.7011 -6.1304 -5.9859 PRESSURE: 4642800 -197.197 -74.6161 45.7053 -74.6159 -105.695 -139.996 45.7047 -139.996 -110.365 GPRESSURE: 4642800 -106.085 -159.124 -14.5404 117.019 -93.0392 -177.386 -12.5789 -70.6334 -124.545 PRESSAVG: 4642800 -69.0335 1.97173 67.5406 1.97169 31.3827 27.7758 67.5406 27.7757 15.2496 GPRESSAVG: 4642800 -68.0427 3.54214 65.5478 0.951399 30.9235 30.4072 69.1349 28.0691 14.9106 TIMING: 4642800 CPU: 14498.9, 0.00309619/step Wall: 14498.9, 0.00309619/step, 0.307211 hours remaining, 234.042969 MB of memory in use. ENERGY: 4642800 3984.9803 20558.8154 14479.9124 254.3546 -203126.9331 2712.1588 0.0000 0.0000 52034.9501 -109101.7616 299.0456 -161136.7117 -108733.3268 299.5760 -137.7526 -107.8897 763071.6050 -7.4671 -7.4028 PRESSURE: 4643000 -108.577 -118.204 186.285 -118.205 177.775 156.422 186.284 156.422 303.955 GPRESSURE: 4643000 -88.3083 -82.9628 207.385 -6.54925 167.767 221.326 230.006 111.402 369.715 PRESSAVG: 4643000 -32.5179 8.0628 41.0993 8.06277 31.0347 -1.2741 41.0994 -1.2741 -0.711732 GPRESSAVG: 4643000 -33.4332 8.27084 43.1096 9.42786 30.9193 -2.64131 39.2464 -1.39251 0.511549 TIMING: 4643000 CPU: 14499.6, 0.00308602/step Wall: 14499.6, 0.00308602/step, 0.30603 hours remaining, 234.042969 MB of memory in use. ENERGY: 4643000 3968.1856 20590.0658 14478.8977 256.8023 -203220.3672 2789.6164 0.0000 0.0000 52100.8124 -109035.9870 299.4241 -161136.7994 -108667.7299 299.3798 124.3842 149.7248 762468.0894 -0.7316 -0.6675 PRESSURE: 4643200 -356.803 -76.1449 120.069 -76.1432 -124.116 201.671 120.069 201.671 -60.2378 GPRESSURE: 4643200 -241.457 -137.161 37.7292 -15.1539 -127.43 202.782 75.0114 367.16 -85.378 PRESSAVG: 4643200 -36.5275 -2.8672 -8.62394 -2.86721 73.8989 8.3259 -8.62399 8.32601 -2.49172 GPRESSAVG: 4643200 -34.8171 -3.19416 -11.9621 -2.05312 72.7731 8.51275 -7.40166 8.76181 -3.12992 TIMING: 4643200 CPU: 14500.2, 0.00310355/step Wall: 14500.2, 0.00310355/step, 0.307597 hours remaining, 234.042969 MB of memory in use. ENERGY: 4643200 3930.3660 20579.4101 14520.7535 254.6017 -203031.9076 2554.0234 0.0000 0.0000 52102.8011 -109089.9518 299.4355 -161192.7529 -108732.8291 300.0244 -180.3856 -151.4217 762521.3212 11.6266 11.6087 PRESSURE: 4643400 30.0999 9.60341 -21.2962 9.60481 -400.841 -169.292 -21.2958 -169.292 36.6085 GPRESSURE: 4643400 68.88 22.3327 -6.05122 -36.9677 -321.638 -247.91 -82.7706 -32.7825 16.1337 PRESSAVG: 4643400 -9.69016 -55.2269 24.6793 -55.2269 -8.83452 43.2733 24.6794 43.2734 11.3302 GPRESSAVG: 4643400 -11.0398 -56.2203 26.3433 -55.9601 -7.15013 43.664 23.2146 43.1098 11.3927 TIMING: 4643400 CPU: 14500.8, 0.00309522/step Wall: 14500.8, 0.00309522/step, 0.306599 hours remaining, 234.042969 MB of memory in use. ENERGY: 4643400 3981.9382 20493.4794 14418.6603 240.2698 -203033.9706 2628.3653 0.0000 0.0000 52098.9324 -109172.3251 299.4133 -161271.2575 -108810.4307 299.8016 -111.3776 -78.8748 764631.2306 -2.3982 -2.2657 PRESSURE: 4643600 -256.194 91.8322 -123.505 91.8321 96.4238 -157.033 -123.505 -157.033 239.184 GPRESSURE: 4643600 -166.515 59.2843 -230.397 98.5912 195.633 -87.4682 -75.5373 -104.67 131.458 PRESSAVG: 4643600 -15.3466 -7.95658 31.116 -7.95655 28.4413 68.3528 31.1161 68.3528 -10.3972 GPRESSAVG: 4643600 -14.9701 -7.77139 31.0756 -8.13537 27.2029 68.6957 30.556 66.7315 -10.218 TIMING: 4643600 CPU: 14501.4, 0.00311585/step Wall: 14501.4, 0.00311585/step, 0.308469 hours remaining, 234.042969 MB of memory in use. ENERGY: 4643600 3914.2440 20606.0200 14507.9864 276.5589 -203258.2229 2758.5383 0.0000 0.0000 52177.6478 -109017.2274 299.8657 -161194.8753 -108658.4585 299.3545 26.4713 53.5253 764091.6477 0.8992 0.6716 PRESSURE: 4643800 -27.2164 127.508 -132.785 127.509 -201.297 -162.963 -132.785 -162.962 -362.967 GPRESSURE: 4643800 20.1131 228.072 -45.0346 136.453 -207.537 -99.6534 -203.277 -153.549 -294.323 PRESSAVG: 4643800 -47.2009 -4.26097 -17.7511 -4.26089 75.4926 2.20995 -17.7511 2.20987 -12.3204 GPRESSAVG: 4643800 -47.7024 -4.17884 -15.6564 -3.97023 76.4561 -0.294833 -17.0956 5.06745 -13.2637 TIMING: 4643800 CPU: 14502, 0.00310231/step Wall: 14502, 0.00310231/step, 0.306956 hours remaining, 234.042969 MB of memory in use. ENERGY: 4643800 4000.3582 20568.6471 14497.5014 249.0048 -203151.7902 2809.8820 0.0000 0.0000 52221.8893 -108804.5075 300.1199 -161026.3968 -108444.6224 299.6788 -197.1601 -160.5826 764823.2508 5.3238 5.1633 PRESSURE: 4644000 -329.234 -180.137 -36.3479 -180.137 -86.1742 -37.4394 -36.3475 -37.4406 68.8393 GPRESSURE: 4644000 -240.064 -203.736 -16.8998 -191.431 -90.6559 -68.1341 -101.936 59.7334 51.9752 PRESSAVG: 4644000 -49.1175 -37.3295 -7.72612 -37.3295 -1.29597 -12.9652 -7.72607 -12.9653 -6.75706 GPRESSAVG: 4644000 -48.879 -37.1344 -8.45979 -37.731 -2.55866 -11.7107 -7.70126 -14.9568 -5.86659 TIMING: 4644000 CPU: 14502.7, 0.00310436/step Wall: 14502.7, 0.00310436/step, 0.306987 hours remaining, 234.042969 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: 4644000 3865.9022 20550.5258 14445.5226 247.4906 -202675.1220 2414.8225 0.0000 0.0000 52060.8542 -109090.0041 299.1944 -161150.8583 -108724.2487 299.6969 -115.5229 -92.9149 766309.6526 -19.0569 -19.1014 PRESSURE: 4644200 62.5961 -138.161 -22.3726 -138.162 -140.948 -93.8145 -22.3734 -93.8159 -60.498 GPRESSURE: 4644200 41.8685 -175.432 -97.0589 -56.0483 -5.10812 -46.7966 51.0107 46.3006 -87.3812 PRESSAVG: 4644200 -1.7093 -22.4191 9.79445 -22.4191 10.9413 24.4577 9.79448 24.4577 -14.3046 GPRESSAVG: 4644200 -1.47511 -21.8764 8.59032 -23.6255 11.9905 24.3742 9.22395 25.8168 -15.4067 TIMING: 4644200 CPU: 14503.3, 0.00309713/step Wall: 14503.3, 0.00309713/step, 0.3061 hours remaining, 234.042969 MB of memory in use. ENERGY: 4644200 3879.5262 20527.8333 14525.2603 252.9471 -203136.5438 2788.5885 0.0000 0.0000 52110.5084 -109051.8800 299.4798 -161162.3884 -108693.9222 299.2953 -46.2834 -16.8736 765268.3725 -1.6908 -1.6305 LDB: ============= START OF LOAD BALANCING ============== 14515.8 LDB: ============== END OF LOAD BALANCING =============== 14515.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14515.8 LDB: ============= START OF LOAD BALANCING ============== 14516.1 LDB: Largest compute 7028 load 0.031780 is 16.3% of average load 0.195285 LDB: Average compute 0.004401 is 2.3% of average load 0.195285 LDB: TIME 14516.1 LOAD: AVG 0.195285 MAX 0.214952 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.715 MB LDB: TIME 14516.1 LOAD: AVG 0.195285 MAX 0.214952 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.715 MB LDB: TIME 14516.1 LOAD: AVG 0.195285 MAX 0.214952 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.715 MB LDB: ============== END OF LOAD BALANCING =============== 14516.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14516.1 PRESSURE: 4644400 -72.3631 35.3217 -140.897 35.3213 -0.870022 21.9867 -140.898 21.9855 -117.216 GPRESSURE: 4644400 -8.44568 -26.0188 -178.718 48.2325 60.3673 -39.5815 -115.476 -56.16 -183.13 PRESSAVG: 4644400 43.9674 -43.6289 -0.533283 -43.6289 -42.2726 -72.0467 -0.533249 -72.0466 -19.3335 GPRESSAVG: 4644400 43.2083 -43.0576 -0.648335 -44.2433 -43.0501 -72.4479 -0.232617 -72.2863 -18.0711 TIMING: 4644400 CPU: 14503.9, 0.00317509/step Wall: 14503.9, 0.00317509/step, 0.313628 hours remaining, 234.226562 MB of memory in use. ENERGY: 4644400 3877.5201 20410.5600 14467.6681 249.6579 -203235.2143 2899.4847 0.0000 0.0000 52162.1435 -109168.1801 299.7766 -161330.3236 -108808.2334 299.4405 -63.4831 -43.7360 764182.3492 -5.8796 -5.9710 PRESSURE: 4644600 -397.18 88.789 -107.385 88.7891 -165.686 -213.638 -107.385 -213.638 -255.819 GPRESSURE: 4644600 -278.417 61.4247 -99.9663 97.1238 -116.999 -135.622 -99.7507 -82.3621 -336.794 PRESSAVG: 4644600 7.51419 -43.2023 10.3079 -43.2022 45.0499 -58.0321 10.3079 -58.0321 1.00026 GPRESSAVG: 4644600 7.40233 -44.8805 9.45987 -40.6253 45.8018 -57.9408 12.4775 -57.9788 0.478881 TIMING: 4644600 CPU: 14504.5, 0.00310235/step Wall: 14504.5, 0.00310235/step, 0.306271 hours remaining, 234.285156 MB of memory in use. ENERGY: 4644600 3954.8323 20563.0568 14479.4602 262.7429 -202881.0371 2487.4107 0.0000 0.0000 51807.1112 -109326.4232 297.7362 -161133.5344 -108970.0001 299.6797 -272.8952 -244.0701 763390.5793 17.8548 17.8943 PRESSURE: 4644800 -228.02 -11.9577 -214.954 -11.9579 -237.848 100.095 -214.954 100.096 -45.928 GPRESSURE: 4644800 -217.636 -40.9221 -232.131 -24.1624 -108.666 151.226 -101.724 145.718 -91.0275 PRESSAVG: 4644800 -25.5094 -68.3632 16.1652 -68.3632 -2.17659 -11.7005 16.1651 -11.7005 -4.90671 GPRESSAVG: 4644800 -24.9826 -68.5095 14.9594 -69.7143 -2.64194 -10.6306 16.4246 -11.3313 -5.33233 TIMING: 4644800 CPU: 14505.2, 0.0031108/step Wall: 14505.2, 0.0031108/step, 0.306932 hours remaining, 234.285156 MB of memory in use. ENERGY: 4644800 4001.7498 20438.2758 14432.1753 231.6940 -203131.1257 2583.6592 0.0000 0.0000 52018.4370 -109425.1346 298.9507 -161443.5716 -109065.4740 299.1657 -170.5987 -139.1099 765054.1323 -10.8642 -10.9856 PRESSURE: 4645000 137.768 110.104 -36.1716 110.104 161.767 -2.93735 -36.1713 -2.93775 73.2484 GPRESSURE: 4645000 111.089 45.4411 -56.7967 59.4225 188.061 -11.7542 -20.7583 30.057 152.035 PRESSAVG: 4645000 -7.15448 -1.86808 -0.194097 -1.8681 -1.76437 38.4489 -0.194158 38.4489 -2.98031 GPRESSAVG: 4645000 -8.19827 0.930763 1.25214 -2.40031 -0.631619 38.223 -2.17614 35.5162 -3.236 TIMING: 4645000 CPU: 14505.8, 0.00311534/step Wall: 14505.8, 0.00311534/step, 0.307207 hours remaining, 234.285156 MB of memory in use. ENERGY: 4645000 4027.8386 20689.6258 14483.8409 239.0512 -203324.8846 2704.1139 0.0000 0.0000 51979.0285 -109201.3856 298.7242 -161180.4141 -108845.9223 298.6738 124.2610 150.3947 763558.5979 -3.9664 -4.0220 PRESSURE: 4645200 -416.788 -3.2058 -301.862 -3.20556 -239.305 95.619 -301.861 95.6185 -461.44 GPRESSURE: 4645200 -335.127 49.1895 -231.409 -125.157 -268.756 76.4804 -199.895 71.5398 -438.884 PRESSAVG: 4645200 -99.3996 -32.9939 0.914591 -32.9939 86.0618 17.6146 0.914623 17.6146 13.3056 GPRESSAVG: 4645200 -98.8019 -34.0283 2.64951 -32.6936 84.5305 16.9077 -1.96203 19.4869 14.0112 TIMING: 4645200 CPU: 14506.4, 0.0031051/step Wall: 14506.4, 0.0031051/step, 0.306025 hours remaining, 234.351562 MB of memory in use. ENERGY: 4645200 4055.4993 20585.8544 14498.7575 248.5533 -203019.1717 2473.1038 0.0000 0.0000 52051.5164 -109105.8869 299.1408 -161157.4034 -108736.5711 299.2471 -372.5108 -347.5891 764654.8390 -0.0107 -0.0868 PRESSURE: 4645400 141.668 -133.254 95.1942 -133.254 -88.0886 -6.69884 95.1948 -6.69878 205.805 GPRESSURE: 4645400 114.762 -196.423 129.635 -191.769 -23.3195 22.3694 75.0697 -12.8362 248.511 PRESSAVG: 4645400 -33.407 -35.5592 13.022 -35.5592 0.665905 3.08583 13.0221 3.08593 11.2739 GPRESSAVG: 4645400 -34.5391 -35.6593 11.8992 -36.3376 0.745505 2.90656 14.9764 3.86593 11.8808 TIMING: 4645400 CPU: 14507, 0.0030988/step Wall: 14507, 0.0030988/step, 0.305232 hours remaining, 234.351562 MB of memory in use. ENERGY: 4645400 4010.2257 20603.9384 14424.9177 259.6358 -203424.6504 2909.6597 0.0000 0.0000 51996.8287 -109219.4444 298.8265 -161216.2731 -108860.1314 299.1653 86.4614 113.3178 763514.9905 -7.1557 -7.3043 PRESSURE: 4645600 53.964 221.148 7.72932 221.147 -143.671 83.7098 7.73047 83.7113 -665.621 GPRESSURE: 4645600 -7.6529 100.16 75.8626 164.766 -44.285 44.7315 -60.1162 62.5177 -599.755 PRESSAVG: 4645600 -20.2513 -42.1535 6.96789 -42.1535 12.0018 -1.31552 6.96797 -1.3155 13.7646 GPRESSAVG: 4645600 -20.1298 -43.1113 5.99589 -41.351 13.4962 -0.774213 8.66345 -1.84364 12.8416 TIMING: 4645600 CPU: 14507.6, 0.00309382/step Wall: 14507.6, 0.00309382/step, 0.30457 hours remaining, 234.554688 MB of memory in use. ENERGY: 4645600 4053.4820 20575.2454 14478.8061 244.4834 -203327.4951 2684.4511 0.0000 0.0000 52199.8189 -109091.2082 299.9931 -161291.0271 -108730.6245 299.5556 -251.7758 -217.2310 764562.8142 1.8384 2.0693 PRESSURE: 4645800 9.19574 -72.6042 217.329 -72.6039 65.6256 -209.289 217.33 -209.287 88.4643 GPRESSURE: 4645800 71.5618 42.9403 173.437 -132.883 30.2263 -192.628 189.316 -208.347 114.843 PRESSAVG: 4645800 -12.0202 -47.2416 74.3753 -47.2416 -42.8226 -0.318903 74.3754 -0.318908 -10.0053 GPRESSAVG: 4645800 -10.3553 -47.8719 73.1048 -46.0014 -44.5625 1.19965 74.6898 -1.15747 -10.4395 TIMING: 4645800 CPU: 14508.3, 0.00310339/step Wall: 14508.3, 0.00310339/step, 0.30534 hours remaining, 234.554688 MB of memory in use. ENERGY: 4645800 3892.0789 20742.5959 14474.8207 261.1353 -203333.8299 2782.3592 0.0000 0.0000 52145.0094 -109035.8305 299.6781 -161180.8399 -108669.9201 299.5587 54.4286 72.2104 764354.0244 -21.6160 -21.7858 PRESSURE: 4646000 -229.204 -97.7446 -384.991 -97.7444 237.647 -289.705 -384.991 -289.706 -163.743 GPRESSURE: 4646000 -76.294 -166.771 -363.061 -45.99 141.28 -319.373 -268.83 -176.163 -148.218 PRESSAVG: 4646000 16.6351 -37.5397 17.4924 -37.5397 -57.5339 -21.0904 17.4924 -21.0904 -0.613343 GPRESSAVG: 4646000 15.6766 -37.4325 17.0417 -37.4067 -57.2588 -22.4153 18.0745 -19.8426 -0.625883 TIMING: 4646000 CPU: 14508.9, 0.00309044/step Wall: 14508.9, 0.00309044/step, 0.303893 hours remaining, 234.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4646000 4029.8537 20551.0697 14421.6691 230.0541 -203500.2370 2985.9317 0.0000 0.0000 52091.2989 -109190.3597 299.3694 -161281.6587 -108830.9354 299.7970 -51.7667 -27.7441 762721.0113 -13.8374 -14.0694 PRESSURE: 4646200 -110.063 -327.264 93.0082 -327.264 -400.819 89.6649 93.0083 89.6662 -186.812 GPRESSURE: 4646200 -141.375 -169.152 41.2089 -411.125 -367.983 97.9943 37.7468 71.9219 -121.24 PRESSAVG: 4646200 -13.4964 -68.6685 18.5978 -68.6685 41.9589 -24.687 18.5979 -24.687 -5.22564 GPRESSAVG: 4646200 -14.1114 -66.0088 21.3259 -71.1081 41.4642 -25.0998 17.2147 -24.8165 -3.90801 TIMING: 4646200 CPU: 14509.5, 0.00310002/step Wall: 14509.5, 0.00310002/step, 0.304663 hours remaining, 234.554688 MB of memory in use. ENERGY: 4646200 4062.3896 20722.1857 14364.8201 244.3821 -203570.4147 2911.7859 0.0000 0.0000 52094.0623 -109170.7890 299.3853 -161264.8513 -108820.1275 299.7993 -232.5644 -210.1994 764458.7568 7.7456 7.8149 PRESSURE: 4646400 -281.898 91.8175 18.4782 91.8175 -584.945 31.9731 18.4781 31.9741 -45.0605 GPRESSURE: 4646400 -291.942 92.1929 60.522 41.7179 -540.895 66.0544 126.386 60.2674 -0.832397 PRESSAVG: 4646400 12.7032 -13.4624 -9.42758 -13.4624 -26.8075 22.2531 -9.42761 22.2531 7.7638 GPRESSAVG: 4646400 14.2443 -15.4685 -10.4207 -10.9659 -26.6341 21.9652 -9.37228 22.9083 6.26474 TIMING: 4646400 CPU: 14510.1, 0.00309474/step Wall: 14510.1, 0.00309474/step, 0.303972 hours remaining, 234.554688 MB of memory in use. ENERGY: 4646400 4060.1027 20490.9413 14419.1553 237.2010 -203372.9744 2827.7815 0.0000 0.0000 52268.8552 -109068.9374 300.3898 -161337.7926 -108700.7494 299.5578 -303.9680 -277.8897 764428.8330 -2.1135 -2.0417 PRESSURE: 4646600 107.036 -35.4495 -302.134 -35.4494 85.3947 -121.208 -302.134 -121.207 -92.981 GPRESSURE: 4646600 137.513 -83.4797 -265.317 -213.093 132.795 -182.953 -388.558 -105.654 -78.17 PRESSAVG: 4646600 -17.828 -48.716 -15.0581 -48.7159 21.9067 69.9569 -15.0581 69.957 -2.76015 GPRESSAVG: 4646600 -19.3662 -49.7394 -15.1017 -49.6498 22.7608 70.9268 -13.3776 70.7406 -2.53075 TIMING: 4646600 CPU: 14510.7, 0.00309443/step Wall: 14510.7, 0.00309443/step, 0.30377 hours remaining, 234.554688 MB of memory in use. ENERGY: 4646600 4031.4223 20512.4806 14457.6416 249.2836 -203538.5609 3112.1108 0.0000 0.0000 52052.5047 -109123.1172 299.1465 -161175.6219 -108757.5981 299.5547 33.1500 64.0458 765264.6140 0.4395 0.2879 PRESSURE: 4646800 104.078 -50.1312 274.853 -50.1322 -225.332 -59.6378 274.854 -59.6366 206.747 GPRESSURE: 4646800 109.927 66.6319 326.173 -85.3112 -187.446 3.39767 250.817 -191.487 264.083 PRESSAVG: 4646800 -18.2983 -78.2374 19.8143 -78.2374 -32.2693 23.128 19.8143 23.128 15.0711 GPRESSAVG: 4646800 -17.9827 -77.8548 20.0674 -77.4139 -33.7828 21.977 20.212 22.2499 16.2434 TIMING: 4646800 CPU: 14511.4, 0.00308091/step Wall: 14511.4, 0.00308091/step, 0.302272 hours remaining, 234.554688 MB of memory in use. ENERGY: 4646800 4068.6480 20557.2530 14464.4489 259.4253 -203048.0749 2804.6502 0.0000 0.0000 51955.7044 -108937.9452 298.5901 -160893.6495 -108587.4065 299.6069 28.4976 62.1877 763871.3954 -11.8322 -11.8407 PRESSURE: 4647000 248.481 -172.063 144.137 -172.063 -572.845 -131.398 144.136 -131.399 -55.8991 GPRESSURE: 4647000 237.249 -37.5192 124.887 -134.1 -537.427 -43.0398 -48.8068 -40.0174 16.3464 PRESSAVG: 4647000 14.4927 -9.33738 55.6989 -9.33732 -24.2816 -20.8769 55.6989 -20.8769 7.80854 GPRESSAVG: 4647000 15.4986 -8.43541 55.4291 -9.13972 -24.1433 -22.6938 52.8365 -20.1521 6.84894 TIMING: 4647000 CPU: 14512, 0.00309153/step Wall: 14512, 0.00309153/step, 0.303142 hours remaining, 234.554688 MB of memory in use. ENERGY: 4647000 4032.8734 20518.8925 14469.5774 255.2907 -203264.9292 2740.7399 0.0000 0.0000 52354.9056 -108892.6496 300.8844 -161247.5552 -108525.5554 300.0255 -126.7542 -94.6106 763480.2037 -0.6601 -0.5986 PRESSURE: 4647200 0.397351 -43.4297 -46.2038 -43.4286 595.224 218.813 -46.2044 218.813 340.307 GPRESSURE: 4647200 138.676 -158.696 -129.78 -20.4908 543.069 85.096 59.6358 292.672 337.872 PRESSAVG: 4647200 68.906 -35.1617 5.21325 -35.1616 -6.90561 10.6431 5.21328 10.643 11.0371 GPRESSAVG: 4647200 67.755 -35.9363 5.48995 -33.0733 -6.33137 12.2996 8.37919 10.2549 11.321 TIMING: 4647200 CPU: 14512.6, 0.00310108/step Wall: 14512.6, 0.00310108/step, 0.303906 hours remaining, 234.554688 MB of memory in use. ENERGY: 4647200 3982.8522 20622.6907 14439.1192 230.8846 -203509.9210 2995.3645 0.0000 0.0000 52428.4516 -108810.5582 301.3070 -161239.0098 -108449.2603 300.7884 311.9759 339.8723 763782.7877 24.3458 24.2482 PRESSURE: 4647400 -198.716 -187.011 147.13 -187.01 -305.082 263.486 147.13 263.486 -150.015 GPRESSURE: 4647400 -165.041 -274.727 101.941 -101.431 -279.534 248.492 45.6852 144.363 -102.166 PRESSAVG: 4647400 46.1554 -50.362 67.7905 -50.362 -70.4743 42.9364 67.7905 42.9365 -12.0354 GPRESSAVG: 4647400 46.6 -52.3199 67.2409 -53.587 -70.5259 43.3601 66.3891 39.309 -11.8391 TIMING: 4647400 CPU: 14513.2, 0.00311295/step Wall: 14513.2, 0.00311296/step, 0.304897 hours remaining, 234.554688 MB of memory in use. ENERGY: 4647400 3997.3158 20527.1937 14450.0231 249.0010 -202827.0330 2384.4746 0.0000 0.0000 52273.1871 -108945.8377 300.4147 -161219.0248 -108583.1656 300.2845 -217.9377 -182.2468 765503.1004 -12.1181 -11.9217 PRESSURE: 4647600 27.6303 -140.016 -146.45 -140.016 -167.857 103.925 -146.45 103.925 20.3039 GPRESSURE: 4647600 74.5681 -206.3 -209.616 -35.4712 -142.06 83.6284 -111.035 81.388 42.9168 PRESSAVG: 4647600 74.87 -31.3891 10.2234 -31.3891 -44.3134 16.5884 10.2234 16.5883 22.1532 GPRESSAVG: 4647600 75.591 -30.3991 8.18645 -31.0571 -44.6765 18.2083 10.6609 16.3427 21.7989 TIMING: 4647600 CPU: 14513.8, 0.00308965/step Wall: 14513.8, 0.00308965/step, 0.302442 hours remaining, 234.554688 MB of memory in use. ENERGY: 4647600 3970.6783 20558.6323 14467.4555 239.8258 -203396.4422 2854.7785 0.0000 0.0000 52186.3996 -109118.6722 299.9160 -161305.0718 -108740.1469 300.1288 -39.9743 -8.1918 764412.3934 17.5699 17.5712 PRESSURE: 4647800 -373.199 -164.468 219.037 -164.469 -257.52 -327.616 219.037 -327.616 -74.8772 GPRESSURE: 4647800 -287.701 -155.071 211.714 -115.983 -244.516 -393.465 158.673 -229.162 -91.2728 PRESSAVG: 4647800 74.0075 -10.459 8.83856 -10.459 -19.05 19.7903 8.83851 19.7904 -29.339 GPRESSAVG: 4647800 74.0062 -7.80457 11.058 -10.9337 -17.7937 18.0623 8.37444 22.2952 -31.0935 TIMING: 4647800 CPU: 14514.5, 0.00309755/step Wall: 14514.5, 0.00309756/step, 0.303044 hours remaining, 234.554688 MB of memory in use. ENERGY: 4647800 3960.2044 20526.7341 14435.1531 231.6566 -203239.1400 2665.9580 0.0000 0.0000 52060.0904 -109359.3435 299.1901 -161419.4339 -108992.2063 299.4586 -235.1989 -207.8297 765125.0744 8.5395 8.3730 PRESSURE: 4648000 -27.2829 22.068 -40.5107 22.0684 -157.95 96.433 -40.5107 96.4331 -152.165 GPRESSURE: 4648000 -21.1139 -4.2627 -5.92486 74.4229 -137.887 160.818 -73.9041 149.931 -97.3108 PRESSAVG: 4648000 -8.06876 -43.6512 -10.0353 -43.6512 -47.4168 16.9034 -10.0353 16.9033 -7.98036 GPRESSAVG: 4648000 -7.8101 -45.6985 -10.8613 -42.4641 -48.3289 15.859 -9.34236 17.2931 -7.34459 TIMING: 4648000 CPU: 14515.1, 0.00309762/step Wall: 14515.1, 0.00309762/step, 0.302879 hours remaining, 234.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4648000 3912.9611 20435.1728 14433.4095 244.8063 -203232.4211 2622.4085 0.0000 0.0000 52357.0710 -109226.5918 300.8968 -161583.6628 -108860.0313 299.4126 -112.4659 -85.4373 764274.9482 -21.1553 -21.1612 PRESSURE: 4648200 -131.824 -50.9882 195.652 -50.9882 181.617 -115.398 195.653 -115.398 -284.627 GPRESSURE: 4648200 -159.727 -55.9962 178.959 -108.835 197.391 -139.199 84.2169 -103.718 -202.204 PRESSAVG: 4648200 17.8577 -49.6133 -36.8841 -49.6133 -22.4592 -5.1663 -36.8842 -5.16636 -6.63551 GPRESSAVG: 4648200 16.7135 -48.8663 -36.58 -51.6649 -23.1165 -3.84252 -36.5904 -5.24282 -4.77709 TIMING: 4648200 CPU: 14515.7, 0.00308425/step Wall: 14515.7, 0.00308425/step, 0.301399 hours remaining, 234.554688 MB of memory in use. ENERGY: 4648200 3941.6504 20621.6535 14447.6597 245.6092 -203116.7015 2589.2902 0.0000 0.0000 51932.7524 -109338.0861 298.4582 -161270.8386 -108985.9584 299.0551 -78.2780 -54.8469 763382.7483 -3.7457 -3.7267 LDB: ============= START OF LOAD BALANCING ============== 14528.2 LDB: ============== END OF LOAD BALANCING =============== 14528.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14528.2 LDB: ============= START OF LOAD BALANCING ============== 14528.5 LDB: Largest compute 7028 load 0.032170 is 16.5% of average load 0.195409 LDB: Average compute 0.004413 is 2.3% of average load 0.195409 LDB: TIME 14528.5 LOAD: AVG 0.195409 MAX 0.216379 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.227 MB LDB: TIME 14528.5 LOAD: AVG 0.195409 MAX 0.216379 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.426 MB LDB: TIME 14528.5 LOAD: AVG 0.195409 MAX 0.216379 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.426 MB LDB: ============== END OF LOAD BALANCING =============== 14528.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14528.5 PRESSURE: 4648400 113.245 -89.663 -79.8592 -89.6628 -135.051 253.062 -79.8593 253.063 -35.794 GPRESSURE: 4648400 229.277 -19.2965 1.35446 50.9795 -228.567 173.555 -121.548 161.108 38.7973 PRESSAVG: 4648400 -40.4193 -49.1439 -5.99159 -49.144 16.2413 43.4488 -5.9916 43.4488 4.26551 GPRESSAVG: 4648400 -40.1033 -47.7916 -5.48372 -48.5274 16.4787 43.2495 -7.59554 41.704 3.79948 TIMING: 4648400 CPU: 14516.3, 0.00316697/step Wall: 14516.3, 0.00316697/step, 0.309307 hours remaining, 235.542969 MB of memory in use. ENERGY: 4648400 3963.5686 20629.4542 14399.0165 244.4720 -203340.9951 2633.8247 0.0000 0.0000 51997.2837 -109473.3753 298.8291 -161470.6590 -109107.6516 298.7003 -19.2003 13.1691 762252.4079 -6.6375 -6.6083 PRESSURE: 4648600 -121.792 26.7311 173.742 26.7311 8.59708 3.07028 173.741 3.06986 -70.6546 GPRESSURE: 4648600 -93.6147 17.4861 178.764 -26.3684 98.3254 14.2138 235.058 -43.8626 -115.632 PRESSAVG: 4648600 13.325 21.8333 -19.8172 21.8333 4.91791 8.81444 -19.8172 8.81444 9.87371 GPRESSAVG: 4648600 14.3539 21.8473 -20.5144 21.6769 5.24685 7.91733 -17.5084 11.3478 8.41588 TIMING: 4648600 CPU: 14516.9, 0.00309369/step Wall: 14516.9, 0.00309369/step, 0.301979 hours remaining, 235.746094 MB of memory in use. ENERGY: 4648600 4069.3459 20450.9622 14454.1108 228.3830 -203566.7797 2952.4290 0.0000 0.0000 52049.7017 -109361.8470 299.1304 -161411.5488 -109006.6974 299.2879 -61.2831 -36.9736 762766.3112 9.3722 9.3389 PRESSURE: 4648800 -469.649 -42.5565 97.3719 -42.5564 -122.379 87.3714 97.3713 87.3715 170.141 GPRESSURE: 4648800 -305.943 56.3781 128.443 -48.7357 -170.078 96.665 183.994 142.187 125.524 PRESSAVG: 4648800 -48.674 5.74067 48.706 5.74064 40.7565 -41.8587 48.706 -41.8587 -10.112 GPRESSAVG: 4648800 -48.303 7.00665 48.197 3.41406 40.6345 -42.0367 46.936 -42.0726 -10.6864 TIMING: 4648800 CPU: 14517.6, 0.00309471/step Wall: 14517.6, 0.00309471/step, 0.301906 hours remaining, 235.746094 MB of memory in use. ENERGY: 4648800 3983.7060 20344.0875 14523.2528 232.7185 -202982.9427 2548.9644 0.0000 0.0000 51935.6023 -109414.6113 298.4746 -161350.2135 -109052.9400 299.3960 -140.6290 -116.8326 762282.2613 -6.0098 -6.1183 PRESSURE: 4649000 -21.9145 -98.5481 -239.528 -98.5479 172.053 74.4068 -239.528 74.4067 110.646 GPRESSURE: 4649000 -6.75716 -26.5161 -186.508 -143.445 162.15 -16.534 -240.18 -6.44428 180.489 PRESSAVG: 4649000 -24.4616 19.9481 20.5329 19.9481 22.5643 19.6515 20.5329 19.6515 -26.7792 GPRESSAVG: 4649000 -24.2398 18.1254 21.1026 23.0444 22.378 21.2253 20.5221 16.5876 -27.0213 TIMING: 4649000 CPU: 14518.2, 0.00309789/step Wall: 14518.2, 0.00309789/step, 0.302044 hours remaining, 235.746094 MB of memory in use. ENERGY: 4649000 3931.3879 20402.5726 14465.1400 239.1632 -203165.4055 2722.0271 0.0000 0.0000 51930.0060 -109475.1087 298.4425 -161405.1146 -109115.4810 298.6681 86.9282 111.9606 764582.5353 -9.5588 -9.6277 PRESSURE: 4649200 -396.651 197.532 -4.52515 197.532 19.3387 -220.164 -4.5251 -220.163 -158.155 GPRESSURE: 4649200 -357.553 137.126 86.8498 87.3132 42.381 -161.771 -90.0089 -231.765 -140.767 PRESSAVG: 4649200 -38.5627 -73.0162 13.5265 -73.0163 60.4442 -19.0611 13.5265 -19.0611 4.70628 GPRESSAVG: 4649200 -39.721 -74.3098 14.2598 -74.8943 61.0123 -19.4007 14.7152 -18.2161 5.74215 TIMING: 4649200 CPU: 14518.8, 0.00310759/step Wall: 14518.8, 0.00310759/step, 0.302817 hours remaining, 235.746094 MB of memory in use. ENERGY: 4649200 3962.6193 20475.9042 14493.9159 234.4527 -203427.1736 2627.3923 0.0000 0.0000 51829.0627 -109803.8266 297.8623 -161632.8892 -109441.8886 298.7045 -178.4889 -151.9798 763599.0811 8.8626 9.0112 PRESSURE: 4649400 -469.309 -60.9339 -113.754 -60.9334 -229.336 -53.9583 -113.755 -53.9578 -118.622 GPRESSURE: 4649400 -384.839 -0.414817 -147.425 -118.729 -252.454 -45.9653 35.2255 90.6524 -89.7604 PRESSAVG: 4649400 -0.116201 3.91384 33.2094 3.91383 18.5311 -38.4527 33.2095 -38.4527 -6.6267 GPRESSAVG: 4649400 -0.287545 3.79876 33.0753 5.84507 17.5773 -38.7681 31.8152 -37.111 -6.03867 TIMING: 4649400 CPU: 14519.4, 0.00309617/step Wall: 14519.4, 0.00309617/step, 0.301532 hours remaining, 235.949219 MB of memory in use. ENERGY: 4649400 4021.5673 20320.5947 14369.7992 234.6250 -203663.5539 2863.8998 0.0000 0.0000 51913.8650 -109939.2030 298.3497 -161853.0680 -109588.0408 297.9106 -272.4225 -242.3510 763982.8936 3.9294 3.7504 PRESSURE: 4649600 -126.977 -148.998 203.628 -148.998 -45.5906 62.5873 203.627 62.5871 -199.146 GPRESSURE: 4649600 -87.2569 -152.497 183.976 -5.06226 19.5882 58.9785 231.159 -1.54576 -215.144 PRESSAVG: 4649600 -1.21928 -42.3777 36.6563 -42.3778 -0.815033 -10.5989 36.6564 -10.599 5.67378 GPRESSAVG: 4649600 0.028804 -41.6431 35.5043 -44.1917 -0.972785 -10.0144 39.4774 -10.7666 4.89219 TIMING: 4649600 CPU: 14520, 0.00309594/step Wall: 14520, 0.00309594/step, 0.301339 hours remaining, 235.949219 MB of memory in use. ENERGY: 4649600 3995.7653 20281.9654 14455.6459 241.4842 -203778.9964 2890.7117 0.0000 0.0000 51841.8191 -110071.6048 297.9356 -161913.4239 -109719.7795 297.6209 -123.9044 -94.2709 763684.3387 1.2132 1.3161 PRESSURE: 4649800 90.3459 -166.128 -62.537 -166.128 95.7101 1.15403 -62.5374 1.15399 -27.8078 GPRESSURE: 4649800 59.0643 -203.972 -32.9055 -100.045 190.056 29.1202 -72.2007 27.8726 -4.6276 PRESSAVG: 4649800 -12.781 -26.9113 7.57114 -26.9113 39.6213 -31.7154 7.57119 -31.7154 3.13194 GPRESSAVG: 4649800 -14.8752 -28.0848 9.72068 -26.3646 41.0448 -30.5651 6.04157 -35.0383 3.83791 TIMING: 4649800 CPU: 14520.7, 0.00310003/step Wall: 14520.7, 0.00310003/step, 0.301564 hours remaining, 235.949219 MB of memory in use. ENERGY: 4649800 3954.2778 20433.6001 14399.6720 243.5229 -203966.2762 2992.0669 0.0000 0.0000 51929.7984 -110013.3381 298.4413 -161943.1365 -109650.2991 297.8943 52.7494 81.4974 762498.6608 9.9907 10.0025 PRESSURE: 4650000 410.177 52.5719 7.39819 52.5705 -107.983 101.438 7.3983 101.438 341.44 GPRESSURE: 4650000 466.423 76.8564 8.71305 -22.7212 -128.08 109.138 -26.2986 79.7235 376.266 PRESSAVG: 4650000 32.9548 -18.7326 3.51168 -18.7326 -16.489 8.14897 3.51175 8.14903 -3.59052 GPRESSAVG: 4650000 35.0548 -17.8707 -0.0903822 -19.4859 -17.0196 6.40377 4.50292 9.86291 -4.8881 TIMING: 4650000 CPU: 14521.3, 0.00308781/step Wall: 14521.3, 0.00308781/step, 0.300204 hours remaining, 235.949219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4650000 3840.9995 20354.6355 14419.1792 248.1394 -203921.5421 3227.1631 0.0000 0.0000 51779.0854 -110052.3398 297.5751 -161831.4253 -109683.6435 297.7886 214.5448 238.2030 760809.9663 4.2918 4.3824 PRESSURE: 4650200 185.104 83.0587 209.345 83.0596 228.408 -308.55 209.344 -308.552 -505.41 GPRESSURE: 4650200 230.646 116.697 206.713 24.1824 256.034 -291.57 148.504 -252.718 -488.917 PRESSAVG: 4650200 53.0803 15.7521 0.468464 15.7521 9.99653 -2.18145 0.468435 -2.18151 19.3112 GPRESSAVG: 4650200 53.5286 16.3328 2.05433 17.9983 9.2737 -1.16527 0.0819875 -0.55777 20.004 TIMING: 4650200 CPU: 14521.9, 0.00309136/step Wall: 14521.9, 0.00309136/step, 0.300377 hours remaining, 235.949219 MB of memory in use. ENERGY: 4650200 3897.1151 20324.2869 14424.9058 253.6949 -203668.8904 2845.1721 0.0000 0.0000 51822.0276 -110101.6880 297.8219 -161923.7156 -109740.6569 297.4527 -30.6328 -0.7458 763450.3144 27.4627 27.6021 PRESSURE: 4650400 -249.297 39.4526 -74.0365 39.4519 124.077 -53.4808 -74.0359 -53.4803 337.739 GPRESSURE: 4650400 -162.472 -40.155 -89.1642 161.093 113.671 -71.6723 -34.1588 31.2452 349.051 PRESSAVG: 4650400 -41.0287 -0.0890772 5.18886 -0.0890779 30.3529 26.8775 5.18886 26.8774 2.73315 GPRESSAVG: 4650400 -42.2066 0.942598 7.68849 -2.00853 31.0564 26.3428 3.26262 26.0805 2.93023 TIMING: 4650400 CPU: 14522.5, 0.00311031/step Wall: 14522.5, 0.00311031/step, 0.302045 hours remaining, 235.949219 MB of memory in use. ENERGY: 4650400 3988.0238 20311.5586 14414.0425 241.3474 -203664.5114 2922.0761 0.0000 0.0000 51950.8941 -109836.5690 298.5625 -161787.4631 -109477.5753 297.4869 70.8396 100.0833 761538.2213 -2.6476 -2.7400 PRESSURE: 4650600 -28.838 -66.701 -90.1005 -66.7012 -109.664 -10.9637 -90.1011 -10.9649 -0.572543 GPRESSURE: 4650600 13.2407 21.2943 -29.3733 -161.635 -83.0527 38.2671 -90.8558 17.868 16.5572 PRESSAVG: 4650600 -3.90233 9.22484 -44.406 9.22483 29.5557 41.7539 -44.406 41.7538 19.4681 GPRESSAVG: 4650600 -3.72491 9.33387 -45.575 10.41 30.0099 41.8947 -43.5314 42.5281 18.9687 TIMING: 4650600 CPU: 14523.1, 0.0031123/step Wall: 14523.1, 0.0031123/step, 0.302066 hours remaining, 235.949219 MB of memory in use. ENERGY: 4650600 3998.2565 20295.7506 14482.8064 229.5405 -203209.3330 2604.2968 0.0000 0.0000 51853.5487 -109745.1336 298.0031 -161598.6823 -109382.5590 298.7722 -46.3583 -17.7516 761362.3812 15.0405 15.0846 PRESSURE: 4650800 138.616 -101.683 275.75 -101.684 122.832 456.268 275.75 456.27 -94.1771 GPRESSURE: 4650800 87.8647 -134.881 166.05 -41.027 190.923 377.995 127.253 312.871 -38.0605 PRESSAVG: 4650800 -40.0526 -22.644 -26.336 -22.644 41.8727 47.6285 -26.336 47.6285 -7.61236 GPRESSAVG: 4650800 -41.1178 -22.8402 -27.1113 -22.5161 41.0388 47.2389 -26.6572 46.7155 -6.21196 TIMING: 4650800 CPU: 14523.8, 0.00311398/step Wall: 14523.8, 0.00311398/step, 0.302056 hours remaining, 236.015625 MB of memory in use. ENERGY: 4650800 4003.8119 20431.9738 14511.0910 260.3581 -203768.2791 3130.8982 0.0000 0.0000 51838.8514 -109591.2946 297.9186 -161430.1460 -109236.7509 298.6153 55.7568 80.2425 763556.2149 -1.9307 -2.0970 PRESSURE: 4651000 -63.7134 282.499 194.036 282.499 -331.711 5.91933 194.037 5.91994 -9.19949 GPRESSURE: 4651000 -3.72887 202.379 239.983 263.26 -258.675 -39.5186 120.194 -33.6598 -63.8054 PRESSAVG: 4651000 26.3746 -49.5954 6.45025 -49.5954 -19.4214 63.8233 6.45018 63.8234 3.59595 GPRESSAVG: 4651000 26.209 -51.7428 5.22975 -49.6858 -18.4392 63.5624 7.21634 62.761 2.65229 TIMING: 4651000 CPU: 14524.4, 0.00310028/step Wall: 14524.4, 0.00310028/step, 0.300555 hours remaining, 236.015625 MB of memory in use. ENERGY: 4651000 4024.2997 20367.1553 14418.6157 239.4071 -203373.9576 2639.8801 0.0000 0.0000 52136.5114 -109548.0883 299.6292 -161684.5997 -109182.2784 298.5092 -134.8745 -108.7366 763012.6394 3.5164 3.4740 PRESSURE: 4651200 60.4829 -85.1757 -54.804 -85.1758 -124.86 -142.566 -54.8045 -142.566 -159.108 GPRESSURE: 4651200 85.2173 -88.0012 -71.8434 -151.092 -156.392 -71.0319 -10.6169 -193.536 -57.9082 PRESSAVG: 4651200 25.8323 37.397 11.4847 37.397 -26.5775 -62.5642 11.4847 -62.5642 -27.1178 GPRESSAVG: 4651200 26.7796 39.4182 13.6867 35.5385 -27.0186 -62.5861 11.0937 -60.7168 -27.1874 TIMING: 4651200 CPU: 14525, 0.00311399/step Wall: 14525, 0.00311399/step, 0.301711 hours remaining, 236.015625 MB of memory in use. ENERGY: 4651200 4028.1463 20637.4674 14400.2143 237.9658 -203698.7782 2894.9031 0.0000 0.0000 51948.0412 -109552.0401 298.5461 -161500.0813 -109200.2579 298.8795 -74.4952 -43.0278 762592.6015 -9.2877 -9.1421 PRESSURE: 4651400 -206.277 -14.0896 -183.66 -14.0899 199.959 -83.8316 -183.66 -83.8316 339.77 GPRESSURE: 4651400 -162.086 -66.5065 -297.412 -56.342 162.241 -99.7251 -46.6391 -92.9859 407.108 PRESSAVG: 4651400 47.3704 -10.4687 15.4636 -10.4686 -43.4889 -40.5515 15.4635 -40.5513 10.4978 GPRESSAVG: 4651400 47.3997 -9.69553 14.3314 -8.54762 -43.3313 -39.8004 15.4237 -39.6599 10.6795 TIMING: 4651400 CPU: 14525.6, 0.00309924/step Wall: 14525.6, 0.00309924/step, 0.30011 hours remaining, 236.015625 MB of memory in use. ENERGY: 4651400 3968.7646 20684.4126 14488.9637 240.1017 -203411.4626 2748.3936 0.0000 0.0000 51783.4879 -109497.3385 297.6004 -161280.8264 -109143.8247 298.6090 111.1505 135.7545 763658.7305 4.7931 4.9160 PRESSURE: 4651600 -281.49 -119.61 -67.3117 -119.611 -550.843 332.877 -67.3122 332.877 -86.5543 GPRESSURE: 4651600 -369.779 -103.546 -6.88287 -94.7548 -362.861 317.229 -5.49011 288.325 -109.169 PRESSAVG: 4651600 -29.7228 -4.86786 -40.3312 -4.86788 16.6246 25.7248 -40.3312 25.7248 -9.58093 GPRESSAVG: 4651600 -29.6537 -6.09314 -39.8789 -5.0325 16.9622 26.1656 -39.2482 24.2456 -10.4384 TIMING: 4651600 CPU: 14526.3, 0.00309547/step Wall: 14526.3, 0.00309546/step, 0.299572 hours remaining, 236.015625 MB of memory in use. ENERGY: 4651600 4043.0577 20175.7524 14549.4084 259.0388 -203190.7199 2843.2729 0.0000 0.0000 51966.7563 -109353.4334 298.6537 -161320.1897 -108987.8686 298.8303 -306.2956 -280.6031 765493.2085 -7.5597 -7.7099 PRESSURE: 4651800 -143.619 67.7105 97.7798 67.711 -200.299 -76.3449 97.7795 -76.3452 -220.418 GPRESSURE: 4651800 -109.926 -12.7904 179.013 89.9529 -209.39 -82.4591 90.0149 -24.697 -181.052 PRESSAVG: 4651800 -7.85009 -15.8941 -62.9882 -15.8942 -8.94567 -10.5474 -62.9882 -10.5475 -9.57926 GPRESSAVG: 4651800 -9.51962 -15.593 -62.7415 -16.9066 -7.99775 -11.6434 -63.8939 -11.5009 -8.2446 TIMING: 4651800 CPU: 14526.9, 0.00310843/step Wall: 14526.9, 0.00310843/step, 0.300654 hours remaining, 236.015625 MB of memory in use. ENERGY: 4651800 3982.9506 20533.4231 14484.3993 251.8091 -203398.9097 2874.6400 0.0000 0.0000 52053.3305 -109218.3571 299.1512 -161271.6876 -108859.7284 299.0698 -188.1120 -166.7892 766371.8375 -8.7917 -8.5873 PRESSURE: 4652000 -127.985 122.281 35.0347 122.281 -311.325 -197.405 35.0345 -197.405 51.6185 GPRESSURE: 4652000 -140.77 33.0886 -38.3449 66.7837 -268.538 -132.529 35.5589 -165.072 110.471 PRESSAVG: 4652000 42.4765 2.83149 -14.5981 2.8315 -32.7068 -41.6616 -14.5982 -41.6617 5.38084 GPRESSAVG: 4652000 42.5065 0.800871 -13.4159 3.11047 -33.2399 -40.8342 -16.3589 -42.0533 5.14721 TIMING: 4652000 CPU: 14527.5, 0.00310699/step Wall: 14527.5, 0.00310699/step, 0.300343 hours remaining, 236.015625 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: 4652000 4052.9943 20522.6813 14516.4985 249.5506 -203476.4791 2729.6271 0.0000 0.0000 52157.8682 -109247.2590 299.7520 -161405.1272 -108890.0592 299.5939 -129.2304 -99.6126 765423.8942 5.0502 4.8046 PRESSURE: 4652200 115.221 -27.9816 40.7393 -27.981 -58.9914 -1.09246 40.7386 -1.09186 -585.729 GPRESSURE: 4652200 181.35 -90.6901 -8.95943 -105.068 -35.579 -53.4044 -142.379 -31.5027 -600.177 PRESSAVG: 4652200 7.1139 5.51325 60.7949 5.51326 -33.0214 4.32905 60.795 4.32908 -4.23867 GPRESSAVG: 4652200 8.94323 9.49 58.7729 6.62815 -33.9208 4.64815 63.6098 3.24421 -4.78392 TIMING: 4652200 CPU: 14528.1, 0.00311105/step Wall: 14528.1, 0.00311105/step, 0.300562 hours remaining, 236.015625 MB of memory in use. ENERGY: 4652200 4042.8602 20258.7140 14435.1167 244.2769 -203741.2655 3001.9298 0.0000 0.0000 52389.8585 -109368.5093 301.0852 -161758.3679 -108999.5843 299.3228 -176.4998 -151.4689 764735.6748 -10.0487 -9.9205 LDB: ============= START OF LOAD BALANCING ============== 14540.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14540.6 LDB: =============== DONE WITH MIGRATION ================ 14540.6 LDB: ============= START OF LOAD BALANCING ============== 14540.9 LDB: Largest compute 7077 load 0.030779 is 15.8% of average load 0.195289 LDB: Average compute 0.004413 is 2.3% of average load 0.195289 LDB: TIME 14540.9 LOAD: AVG 0.195289 MAX 0.22047 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.031 MB LDB: TIME 14540.9 LOAD: AVG 0.195289 MAX 0.22047 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.23 MB LDB: TIME 14540.9 LOAD: AVG 0.195289 MAX 0.215168 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.23 MB LDB: ============== END OF LOAD BALANCING =============== 14540.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14540.9 PRESSURE: 4652400 5.22997 -25.9514 -66.5015 -25.9501 61.392 80.0766 -66.5022 80.0777 7.80721 GPRESSURE: 4652400 -31.1904 -121.526 -121.97 -28.8147 160.783 18.9264 10.1712 15.09 38.5165 PRESSAVG: 4652400 17.5462 -11.397 -24.7507 -11.397 5.64653 9.45048 -24.7508 9.45047 -0.0842691 GPRESSAVG: 4652400 17.2625 -13.3602 -24.8809 -12.4049 5.88911 8.94764 -27.8314 11.6861 0.399535 TIMING: 4652400 CPU: 14528.8, 0.00318109/step Wall: 14528.8, 0.00318109/step, 0.307152 hours remaining, 233.546875 MB of memory in use. ENERGY: 4652400 3925.9110 20445.3532 14449.5484 248.5337 -203586.3523 2796.5100 0.0000 0.0000 52232.4008 -109488.0951 300.1803 -161720.4959 -109114.3290 299.4726 24.8097 56.0362 763333.7542 7.7028 7.8504 PRESSURE: 4652600 162.41 -178.42 -148.308 -178.42 238.666 35.3871 -148.308 35.3877 147.876 GPRESSURE: 4652600 195.879 -45.5596 -135.396 -118.474 253.256 70.0959 -6.30501 -12.9695 173.031 PRESSAVG: 4652600 49.8926 -40.8535 -21.2281 -40.8534 3.93447 16.2042 -21.2282 16.2043 -11.2287 GPRESSAVG: 4652600 49.6029 -40.2244 -20.3181 -39.9206 3.89994 15.6595 -20.6752 16.7068 -10.1633 TIMING: 4652600 CPU: 14529.4, 0.00311977/step Wall: 14529.4, 0.00311977/step, 0.301058 hours remaining, 233.546875 MB of memory in use. ENERGY: 4652600 3970.1433 20631.2042 14417.2850 240.7054 -203735.4424 2951.0051 0.0000 0.0000 52006.9689 -109518.1304 298.8848 -161525.0993 -109152.1361 299.0991 182.9842 207.3886 761643.6371 14.1994 14.4465 PRESSURE: 4652800 -172.926 2.69997 159.677 2.69902 -178.611 -220.433 159.679 -220.432 423.449 GPRESSURE: 4652800 -26.3794 26.5941 193.141 -56.3015 -167.97 -215.469 216.153 -134.179 347.097 PRESSAVG: 4652800 -23.5458 -3.42558 16.863 -3.42563 -9.01403 50.469 16.8629 50.469 1.40255 GPRESSAVG: 4652800 -22.816 -5.18656 15.2985 -3.43711 -8.41152 48.6228 19.6492 50.1609 -0.249832 TIMING: 4652800 CPU: 14530, 0.00311788/step Wall: 14530, 0.00311788/step, 0.300702 hours remaining, 233.546875 MB of memory in use. ENERGY: 4652800 3941.6865 20640.8429 14414.6647 237.8760 -203738.6311 2950.0435 0.0000 0.0000 52035.2239 -109518.2935 299.0471 -161553.5174 -109160.1283 299.0732 23.9708 50.9156 763067.0656 -10.3858 -10.4924 PRESSURE: 4653000 -83.1047 -37.2908 -199.604 -37.2908 194.331 137.18 -199.603 137.18 621.287 GPRESSURE: 4653000 22.711 73.4296 -253.943 -16.0938 221.137 225.986 -222.118 81.9871 590.249 PRESSAVG: 4653000 -70.0763 -60.7943 30.9728 -60.7942 49.333 14.6707 30.9728 14.6708 -0.991734 GPRESSAVG: 4653000 -69.0453 -58.3551 33.4094 -62.1138 47.5985 16.4928 30.1286 15.603 -0.76137 TIMING: 4653000 CPU: 14530.6, 0.00310945/step Wall: 14530.6, 0.00310945/step, 0.299717 hours remaining, 233.546875 MB of memory in use. ENERGY: 4653000 4008.3098 20388.4644 14458.7024 232.6644 -203726.5554 2772.6959 0.0000 0.0000 52197.4833 -109668.2353 299.9797 -161865.7186 -109311.7236 298.6841 244.1711 278.0323 762441.6774 -7.2450 -7.4027 PRESSURE: 4653200 97.5997 -49.4949 -80.8188 -49.496 142.799 184.757 -80.819 184.757 -45.1412 GPRESSURE: 4653200 39.9749 -108.083 -42.2222 38.6724 217.506 271.788 -138.625 67.7214 28.3716 PRESSAVG: 4653200 6.70424 -9.77202 -3.66906 -9.77206 -6.60827 36.4932 -3.66907 36.4931 14.5447 GPRESSAVG: 4653200 4.59833 -10.8762 -5.24988 -9.9806 -4.58548 37.9045 -4.56738 35.7912 14.5992 TIMING: 4653200 CPU: 14531.2, 0.00310851/step Wall: 14531.2, 0.00310851/step, 0.299453 hours remaining, 233.546875 MB of memory in use. ENERGY: 4653200 3889.4936 20405.4156 14468.9035 245.6848 -203441.1006 2501.7258 0.0000 0.0000 52268.1452 -109661.7321 300.3857 -161929.8774 -109304.4928 298.6906 65.0859 95.2841 762911.6317 4.8802 4.8707 PRESSURE: 4653400 102.002 153.929 238.539 153.931 0.940661 72.4509 238.539 72.4516 -287.119 GPRESSURE: 4653400 151.56 189.218 171.031 103.166 49.0987 84.5343 337.546 99.1352 -292.933 PRESSAVG: 4653400 16.4535 -8.14984 -14.2891 -8.14984 -19.9407 -9.19324 -14.2892 -9.19321 -0.272615 GPRESSAVG: 4653400 17.6158 -7.44439 -13.4747 -7.17757 -21.7825 -9.02708 -11.795 -9.03699 -0.0597718 TIMING: 4653400 CPU: 14531.9, 0.00309736/step Wall: 14531.9, 0.00309737/step, 0.298207 hours remaining, 233.546875 MB of memory in use. ENERGY: 4653400 4033.5049 20505.2484 14411.5477 261.3688 -203061.5070 2497.4531 0.0000 0.0000 51904.9330 -109447.4511 298.2984 -161352.3841 -109081.9683 298.6059 -61.3923 -30.7582 760624.7164 -1.2533 -1.4088 PRESSURE: 4653600 122.816 -86.9257 -174.237 -86.9256 -319.167 113.389 -174.238 113.388 -487.811 GPRESSURE: 4653600 102.108 -154.181 -103.137 -47.6578 -231.51 92.3208 -193.327 213.934 -475.269 PRESSAVG: 4653600 -22.301 -23.6365 -54.2041 -23.6364 33.9544 -7.68043 -54.204 -7.68044 2.0709 GPRESSAVG: 4653600 -22.8242 -21.8216 -53.1185 -24.2767 34.833 -8.56433 -54.9224 -7.04536 2.34408 TIMING: 4653600 CPU: 14532.5, 0.00310022/step Wall: 14532.5, 0.00310022/step, 0.29831 hours remaining, 233.546875 MB of memory in use. ENERGY: 4653600 3973.3832 20484.6950 14434.4549 265.3474 -202953.7329 2320.0147 0.0000 0.0000 52119.4777 -109356.3600 299.5314 -161475.8377 -108982.5294 299.3538 -228.0538 -201.5572 760425.5366 4.5748 4.7843 PRESSURE: 4653800 -43.1957 145.641 24.1513 145.641 -67.0523 42.0343 24.1514 42.0333 -14.3455 GPRESSURE: 4653800 -8.1501 72.7153 -4.67822 68.0223 -92.504 55.9565 -47.9032 -2.71715 39.124 PRESSAVG: 4653800 -1.06429 -1.92028 -24.583 -1.92031 -31.853 42.1765 -24.5829 42.1765 -14.6476 GPRESSAVG: 4653800 -0.572276 -4.22705 -25.2949 -1.66925 -32.2309 40.8712 -26.4904 41.7682 -15.2924 TIMING: 4653800 CPU: 14533.1, 0.00312169/step Wall: 14533.1, 0.00312169/step, 0.300203 hours remaining, 233.546875 MB of memory in use. ENERGY: 4653800 3868.5551 20566.8458 14484.4281 261.1907 -202966.2618 2571.4809 0.0000 0.0000 51838.3874 -109375.3738 297.9159 -161213.7612 -109020.7164 299.1405 -41.5312 -20.5100 759993.2015 -15.8550 -16.0319 PRESSURE: 4654000 -15.1585 82.4394 49.0464 82.4391 -325.128 181.534 49.046 181.533 -414.927 GPRESSURE: 4654000 29.5283 -12.4826 -119.231 75.3809 -359.164 77.6049 185.098 169.437 -339.163 PRESSAVG: 4654000 3.80008 -5.9763 -40.0112 -5.97629 -27.879 -19.1226 -40.0112 -19.1227 -8.1593 GPRESSAVG: 4654000 3.41203 -5.02807 -40.9154 -4.20316 -26.2648 -17.5595 -37.9903 -18.6816 -8.27999 TIMING: 4654000 CPU: 14533.7, 0.00311961/step Wall: 14533.7, 0.00311961/step, 0.299829 hours remaining, 233.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4654000 3953.9592 20369.0781 14409.3503 238.0857 -202479.3654 2215.4978 0.0000 0.0000 52081.0341 -109212.3601 299.3104 -161293.3943 -108849.1438 299.3041 -251.7379 -222.9328 763185.7761 -10.7461 -10.3776 PRESSURE: 4654200 254.051 90.4325 128.008 90.4328 -152.081 159.326 128.008 159.326 722.619 GPRESSURE: 4654200 290.034 151.534 104.047 -16.6907 -35.7422 99.9697 176.011 148.55 673.409 PRESSAVG: 4654200 -21.153 -74.8474 -5.58983 -74.8474 3.98084 20.7071 -5.58987 20.7071 10.858 GPRESSAVG: 4654200 -21.4813 -73.5119 -3.93077 -75.4188 3.09701 20.3178 -5.99736 19.177 12.4642 TIMING: 4654200 CPU: 14534.4, 0.00312026/step Wall: 14534.4, 0.00312026/step, 0.299718 hours remaining, 233.546875 MB of memory in use. ENERGY: 4654200 4005.7613 20423.0298 14495.1419 227.0093 -202810.8468 2533.6841 0.0000 0.0000 51920.1245 -109206.0958 298.3857 -161126.2203 -108844.1447 299.6099 274.8628 309.2335 760218.1259 -2.1047 -1.9734 PRESSURE: 4654400 -115.346 -36.3985 -117.812 -36.3989 176.76 74.0979 -117.813 74.0984 -79.3538 GPRESSURE: 4654400 10.0046 -165.159 -166.172 99.2582 105.421 162.032 -188.956 70.5793 -41.4379 PRESSAVG: 4654400 -40.122 -26.6981 27.6447 -26.6981 13.5447 -32.0708 27.6447 -32.071 6.0179 GPRESSAVG: 4654400 -39.7166 -28.3125 26.0397 -29.0937 13.3112 -31.5306 28.2604 -31.1456 5.74875 TIMING: 4654400 CPU: 14535, 0.00311679/step Wall: 14535, 0.00311679/step, 0.299212 hours remaining, 233.546875 MB of memory in use. ENERGY: 4654400 3907.0489 20373.2209 14383.6811 234.9886 -202973.2582 2601.3842 0.0000 0.0000 52169.3221 -109303.6125 299.8178 -161472.9347 -108932.0946 299.5057 -5.9800 24.6627 761079.9153 -6.8531 -6.8855 PRESSURE: 4654600 -110.666 -98.4471 -34.9811 -98.4472 108.824 -28.5515 -34.9813 -28.5513 94.729 GPRESSURE: 4654600 -151.364 -96.4307 -55.1019 -68.0295 189.838 -88.9798 138.135 -37.2412 142.506 PRESSAVG: 4654600 -0.4442 -56.486 -4.09208 -56.486 7.1255 35.1907 -4.09205 35.1907 24.3545 GPRESSAVG: 4654600 -1.31657 -56.3504 -3.23591 -52.9675 7.45023 34.5348 -2.93317 36.1749 25.2085 TIMING: 4654600 CPU: 14535.6, 0.00308837/step Wall: 14535.6, 0.00308837/step, 0.296312 hours remaining, 233.546875 MB of memory in use. ENERGY: 4654600 4047.6458 20538.5545 14356.8208 243.9512 -203199.2191 2501.5534 0.0000 0.0000 52272.3399 -109238.3535 300.4099 -161510.6934 -108884.9012 299.4451 30.9623 60.3266 759885.1197 10.3453 10.4474 PRESSURE: 4654800 -156.614 146.934 -63.621 146.935 17.4486 -45.7613 -63.6205 -45.7604 -318.348 GPRESSURE: 4654800 -31.5061 153.262 -69.0231 136.877 34.7289 -72.0795 -24.4378 -40.6925 -352.562 PRESSAVG: 4654800 -4.18013 -42.8558 -13.5499 -42.8557 3.19503 27.191 -13.5498 27.191 4.00836 GPRESSAVG: 4654800 -3.85491 -41.3121 -14.0218 -43.3369 3.31052 26.7988 -14.0731 27.8701 2.99053 TIMING: 4654800 CPU: 14536.2, 0.00311202/step Wall: 14536.2, 0.00311202/step, 0.298409 hours remaining, 233.546875 MB of memory in use. ENERGY: 4654800 4086.8979 20550.4217 14337.9616 236.7557 -203244.7780 2693.9403 0.0000 0.0000 52027.3795 -109311.4213 299.0021 -161338.8009 -108947.7597 299.7253 -152.5043 -116.4464 762578.2382 1.0078 0.8154 PRESSURE: 4655000 -122.864 14.0348 60.2582 14.0349 112.542 42.3213 60.2574 42.3218 -370.2 GPRESSURE: 4655000 -90.1555 -58.2014 24.4351 125.971 165.274 68.2208 195.939 -59.8761 -374.011 PRESSAVG: 4655000 40.4063 -43.768 14.9304 -43.768 -17.8107 10.4774 14.9304 10.4774 -12.6011 GPRESSAVG: 4655000 40.4117 -44.2475 14.9932 -45.0745 -18.6248 10.3405 14.1339 8.20397 -11.9231 TIMING: 4655000 CPU: 14536.8, 0.00310354/step Wall: 14536.8, 0.00310354/step, 0.297423 hours remaining, 233.546875 MB of memory in use. ENERGY: 4655000 4006.8493 20394.6594 14375.1726 239.9136 -202816.7495 2483.6053 0.0000 0.0000 51975.2831 -109341.2662 298.7027 -161316.5493 -108970.3305 299.2418 -126.8408 -99.6306 762884.2378 3.3315 3.2879 PRESSURE: 4655200 -365.711 81.6982 38.9887 81.698 -244.557 54.4835 38.9894 54.4827 -191.213 GPRESSURE: 4655200 -335.968 -67.7284 32.075 99.2468 -192.04 158.596 -128.144 20.9721 -192.309 PRESSAVG: 4655200 57.0978 -39.6214 -66.4754 -39.6214 -45.5414 23.6971 -66.4753 23.6971 -16.2565 GPRESSAVG: 4655200 58.1894 -40.0845 -67.8892 -39.5233 -46.2559 23.6314 -65.6378 26.8002 -16.3572 TIMING: 4655200 CPU: 14537.5, 0.00309304/step Wall: 14537.5, 0.00309304/step, 0.296244 hours remaining, 233.546875 MB of memory in use. ENERGY: 4655200 3964.4326 20551.0850 14460.6075 227.1570 -203094.0787 2731.5614 0.0000 0.0000 52147.0357 -109012.1994 299.6897 -161159.2351 -108661.1781 299.3916 -267.1604 -240.1056 762957.0638 -1.5667 -1.4746 PRESSURE: 4655400 -389.039 -245.699 -104.362 -245.699 128.559 -27.8992 -104.362 -27.8983 335.282 GPRESSURE: 4655400 -349.092 -118.169 -46.9588 -97.0237 106.558 -47.3527 -43.9457 -126.255 399.52 PRESSAVG: 4655400 -2.94308 6.63037 10.5942 6.6303 -30.9517 14.104 10.5943 14.104 13.3257 GPRESSAVG: 4655400 -2.99615 5.81191 10.8726 7.90549 -31.0717 16.0052 9.83961 9.20532 13.0579 TIMING: 4655400 CPU: 14538.1, 0.00309116/step Wall: 14538.1, 0.00309116/step, 0.295892 hours remaining, 233.546875 MB of memory in use. ENERGY: 4655400 3912.4721 20461.5056 14346.7420 247.3944 -202939.1123 2730.9027 0.0000 0.0000 52025.9959 -109214.0996 298.9941 -161240.0955 -108840.4890 299.6851 24.9340 52.3284 763462.3598 -6.8563 -7.0033 PRESSURE: 4655600 484.072 -78.341 46.8612 -78.3411 -181.34 49.8048 46.8612 49.8047 254.231 GPRESSURE: 4655600 454.782 -133.689 65.9544 -179.046 -65.0564 -43.3367 4.54934 9.31871 254.501 PRESSAVG: 4655600 52.4509 -28.4234 -5.18996 -28.4234 30.6294 54.4143 -5.18988 54.4144 7.64353 GPRESSAVG: 4655600 50.7503 -26.8184 -5.30508 -29.8911 33.3517 54.7236 -5.0275 54.2899 7.16421 TIMING: 4655600 CPU: 14538.7, 0.00310739/step Wall: 14538.7, 0.00310739/step, 0.297274 hours remaining, 233.546875 MB of memory in use. ENERGY: 4655600 3948.6458 20612.3534 14345.8775 243.5758 -203344.5685 2695.7839 0.0000 0.0000 52099.0385 -109399.2936 299.4139 -161498.3321 -109029.9044 299.2252 185.6544 214.7421 760266.8316 30.2413 30.4221 PRESSURE: 4655800 -154.762 257.415 -301.659 257.415 -244.934 112.648 -301.659 112.648 9.84828 GPRESSURE: 4655800 -132.358 138.204 -307.924 222.264 -203.744 163.671 -353.341 123.994 25.2324 PRESSAVG: 4655800 67.7877 -46.3446 -12.8874 -46.3446 -44.2503 16.9303 -12.8875 16.9303 14.3015 GPRESSAVG: 4655800 68.7654 -47.7042 -11.3261 -46.6801 -45.4391 14.8587 -12.3714 20.2394 14.6667 TIMING: 4655800 CPU: 14539.3, 0.00310375/step Wall: 14539.3, 0.00310375/step, 0.296753 hours remaining, 233.546875 MB of memory in use. ENERGY: 4655800 4057.6806 20547.5641 14405.3689 270.0364 -203063.7057 2324.3058 0.0000 0.0000 52022.7263 -109436.0237 298.9753 -161458.7500 -109069.6871 299.3986 -129.9491 -103.6229 760690.5425 12.6129 12.6643 PRESSURE: 4656000 196.702 -47.5913 -121.095 -47.5908 -51.0173 60.4155 -121.095 60.4142 434.619 GPRESSURE: 4656000 190.231 -130.648 -54.3039 -26.2233 39.4366 99.9402 -186.723 74.0787 436.423 PRESSAVG: 4656000 26.4588 -74.8446 -43.6117 -74.8446 -36.4766 47.5914 -43.6117 47.5914 16.5849 GPRESSAVG: 4656000 25.4585 -76.2911 -44.7842 -71.8942 -36.2826 48.2581 -43.167 48.9861 16.9943 TIMING: 4656000 CPU: 14539.9, 0.00314168/step Wall: 14539.9, 0.00314168/step, 0.300205 hours remaining, 233.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4656000 3978.3194 20506.6632 14479.1548 262.0617 -203225.8306 2616.0228 0.0000 0.0000 52308.9615 -109074.6472 300.6203 -161383.6088 -108712.2585 299.3830 193.4345 222.0303 761755.0956 2.1891 2.0567 PRESSURE: 4656200 -131.404 77.2902 109.532 77.29 -98.4981 -4.69612 109.532 -4.69577 -100.601 GPRESSURE: 4656200 -51.4759 -16.2435 57.3955 140.291 -116.269 -59.125 119.912 -10.5856 -80.9762 PRESSAVG: 4656200 31.247 -73.3862 39.5077 -73.3862 -73.2424 16.8138 39.5078 16.8138 -6.70439 GPRESSAVG: 4656200 32.3693 -70.8897 40.9192 -75.7943 -72.9023 15.4339 37.3123 15.3969 -7.5107 TIMING: 4656200 CPU: 14540.6, 0.00313519/step Wall: 14540.6, 0.00313519/step, 0.29941 hours remaining, 233.535156 MB of memory in use. ENERGY: 4656200 4074.1408 20385.9451 14497.1854 234.3094 -203154.6225 2558.7623 0.0000 0.0000 52193.1462 -109211.1334 299.9547 -161404.2795 -108841.4841 299.6946 -110.1677 -82.9071 762947.4064 -16.2333 -16.0145 LDB: ============= START OF LOAD BALANCING ============== 14553.1 LDB: ============== END OF LOAD BALANCING =============== 14553.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14553.1 LDB: ============= START OF LOAD BALANCING ============== 14553.4 LDB: Largest compute 7060 load 0.030080 is 15.4% of average load 0.195373 LDB: Average compute 0.004396 is 2.3% of average load 0.195373 LDB: TIME 14553.4 LOAD: AVG 0.195373 MAX 0.214064 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.117 MB LDB: TIME 14553.4 LOAD: AVG 0.195373 MAX 0.214064 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.121 MB LDB: TIME 14553.4 LOAD: AVG 0.195373 MAX 0.214064 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.121 MB LDB: ============== END OF LOAD BALANCING =============== 14553.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14553.4 PRESSURE: 4656400 90.3121 -256.163 -41.9233 -256.163 -228.73 -146.947 -41.9231 -146.948 295.328 GPRESSURE: 4656400 84.5518 -187.245 -78.5493 -187.138 -127.952 -137.766 -44.9689 -130.144 279.451 PRESSAVG: 4656400 -3.48521 -65.4172 35.3833 -65.4172 27.5474 5.66081 35.3833 5.66077 12.8591 GPRESSAVG: 4656400 -3.23211 -64.8257 33.2698 -65.2772 26.4232 6.98469 37.9139 6.81628 13.2896 TIMING: 4656400 CPU: 14541.2, 0.00319377/step Wall: 14541.2, 0.00319377/step, 0.304828 hours remaining, 234.683594 MB of memory in use. ENERGY: 4656400 3956.7919 20385.0514 14447.9831 259.5754 -203134.8248 2604.8131 0.0000 0.0000 52164.7528 -109315.8570 299.7916 -161480.6098 -108943.6899 299.6027 52.3036 78.6839 762391.2419 12.3071 12.1602 PRESSURE: 4656600 -60.8281 167.856 110.875 167.856 -46.9847 135.137 110.874 135.136 448.609 GPRESSURE: 4656600 -88.6617 265.555 30.9316 257.787 59.5477 77.4009 193.561 127.925 450.879 PRESSAVG: 4656600 32.95 -29.639 -11.621 -29.6391 -50.8499 -47.4811 -11.621 -47.481 20.055 GPRESSAVG: 4656600 32.3408 -32.4365 -10.5285 -27.1521 -49.691 -46.6882 -12.7341 -50.2937 19.4013 TIMING: 4656600 CPU: 14541.8, 0.00311501/step Wall: 14541.8, 0.00311501/step, 0.297137 hours remaining, 234.886719 MB of memory in use. ENERGY: 4656600 3982.8388 20503.8731 14416.9126 249.9733 -203414.3991 2685.8489 0.0000 0.0000 52224.1865 -109350.7659 300.1331 -161574.9525 -109001.4552 299.5604 113.5987 140.5884 760888.3691 0.7184 0.6837 PRESSURE: 4656800 282.155 -263.101 25.3494 -263.101 77.2627 -80.0039 25.3492 -80.0046 89.447 GPRESSURE: 4656800 244.525 -199.454 -14.3181 -230.446 182.971 -133.218 -63.076 -34.0753 108.806 PRESSAVG: 4656800 -0.0387572 -22.0713 20.9731 -22.0714 17.966 -36.7941 20.973 -36.7941 7.59142 GPRESSAVG: 4656800 0.702982 -19.1221 20.6504 -25.3632 16.9658 -38.2372 20.5195 -35.2281 8.31839 TIMING: 4656800 CPU: 14542.5, 0.00311007/step Wall: 14542.5, 0.00311007/step, 0.296494 hours remaining, 234.886719 MB of memory in use. ENERGY: 4656800 3981.9784 20458.0476 14408.3808 240.2056 -203040.5704 2563.9785 0.0000 0.0000 52039.4944 -109348.4851 299.0717 -161387.9795 -108973.2931 299.0785 149.6216 178.7673 760307.8343 8.5062 8.6624 PRESSURE: 4657000 -343.412 163.871 148.775 163.872 -124.933 -38.8348 148.775 -38.8353 -202.996 GPRESSURE: 4657000 -360.891 107.899 170.33 205.307 8.70595 -7.21698 123.192 -47.3622 -219.075 PRESSAVG: 4657000 28.0317 -37.1198 30.3799 -37.1198 13.9496 4.22637 30.38 4.22634 -16.164 GPRESSAVG: 4657000 27.3614 -38.2154 30.7129 -37.0605 15.3405 4.48338 30.2175 3.19414 -16.0132 TIMING: 4657000 CPU: 14543.1, 0.00310085/step Wall: 14543.1, 0.00310085/step, 0.295442 hours remaining, 234.886719 MB of memory in use. ENERGY: 4657000 3962.1940 20538.1733 14393.9263 258.9294 -203361.6974 2657.6310 0.0000 0.0000 52104.2997 -109446.5437 299.4441 -161550.8434 -109075.2122 299.5746 -223.7804 -190.4200 761942.7166 8.6058 8.8962 PRESSURE: 4657200 351.773 31.7791 -139.909 31.7789 304.812 125.279 -139.91 125.28 -245.912 GPRESSURE: 4657200 390.919 51.5625 -140.22 98.9552 245.546 157.899 -42.765 106.453 -167.498 PRESSAVG: 4657200 14.5415 -27.2316 72.7837 -27.2315 -5.59216 -26.3591 72.7837 -26.359 4.62501 GPRESSAVG: 4657200 14.8997 -27.7559 73.1914 -25.4383 -6.73108 -24.2926 73.6676 -25.1867 5.52228 TIMING: 4657200 CPU: 14543.7, 0.00309246/step Wall: 14543.7, 0.00309246/step, 0.294471 hours remaining, 235.011719 MB of memory in use. ENERGY: 4657200 4001.0767 20509.9088 14447.2596 247.1648 -202982.8693 2444.3407 0.0000 0.0000 51880.0579 -109453.0608 298.1554 -161333.1187 -109093.5402 299.3118 136.8911 156.3222 762463.4340 4.5248 4.5636 PRESSURE: 4657400 -175.603 -40.744 104.341 -40.7447 270.053 -134.828 104.342 -134.828 -72.7411 GPRESSURE: 4657400 -213.334 -52.7392 29.85 -30.8297 338.247 -52.6055 241.353 -124.474 -24.6185 PRESSAVG: 4657400 -43.8362 -59.3359 28.6314 -59.3359 23.1911 -47.9812 28.6314 -47.9812 -30.7339 GPRESSAVG: 4657400 -43.9018 -57.8534 28.0667 -60.1677 23.9264 -48.0095 28.3242 -47.6727 -31.819 TIMING: 4657400 CPU: 14544.3, 0.00310475/step Wall: 14544.3, 0.00310475/step, 0.295468 hours remaining, 235.011719 MB of memory in use. ENERGY: 4657400 3991.7588 20352.1806 14526.5380 260.1156 -203336.3460 2741.5031 0.0000 0.0000 52030.5729 -109433.6770 299.0204 -161464.2499 -109065.5941 299.2142 7.2364 33.4314 761157.2573 -17.1264 -17.2648 PRESSURE: 4657600 196.315 79.4404 267.895 79.4406 195.99 138.055 267.896 138.056 -200.286 GPRESSURE: 4657600 295.76 101.511 283.543 165.123 128.076 42.7203 268.693 156.882 -150.832 PRESSAVG: 4657600 7.42299 -28.6308 23.2704 -28.6308 18.575 -12.912 23.2703 -12.9121 -0.786295 GPRESSAVG: 4657600 7.64912 -30.0968 21.5414 -27.036 18.2232 -16.3728 23.5862 -12.5103 -0.166361 TIMING: 4657600 CPU: 14544.9, 0.00310339/step Wall: 14544.9, 0.00310339/step, 0.295167 hours remaining, 235.023438 MB of memory in use. ENERGY: 4657600 3983.6292 20708.1815 14349.7957 254.9470 -203449.1865 2788.5570 0.0000 0.0000 52064.0647 -109300.0114 299.2129 -161364.0760 -108947.0463 298.9464 64.0062 91.0012 761516.1652 8.4039 8.5687 PRESSURE: 4657800 301.742 -27.7051 249.395 -27.7055 149.906 -26.4081 249.395 -26.4086 297.052 GPRESSURE: 4657800 327.86 -6.81801 244.108 -69.2148 210.426 36.5931 341.707 175.942 304.618 PRESSAVG: 4657800 11.0207 -16.3902 37.4983 -16.3902 18.0443 6.04264 37.4984 6.04273 -14.0411 GPRESSAVG: 4657800 10.3138 -14.3052 39.1478 -19.8549 18.3293 7.52313 37.5563 6.41415 -13.9335 TIMING: 4657800 CPU: 14545.6, 0.00308912/step Wall: 14545.6, 0.00308912/step, 0.293638 hours remaining, 235.023438 MB of memory in use. ENERGY: 4657800 4075.0058 20533.5579 14432.4811 250.7339 -203343.4843 2698.3009 0.0000 0.0000 51999.9059 -109353.4988 298.8442 -161353.4047 -108991.8393 299.3136 249.5666 280.9680 762952.1640 5.0080 4.9032 PRESSURE: 4658000 110.141 63.0335 83.7592 63.0329 -104.766 17.5419 83.7594 17.5425 119.089 GPRESSURE: 4658000 201.687 87.1026 50.1442 129.656 -107.556 21.7079 126.844 -98.7844 133.682 PRESSAVG: 4658000 -28.5125 -48.8932 66.8288 -48.8931 36.8949 -27.4347 66.8288 -27.4347 11.3642 GPRESSAVG: 4658000 -27.0471 -50.4407 66.3027 -47.5102 36.3416 -26.7253 67.2507 -28.3009 10.7228 TIMING: 4658000 CPU: 14546.2, 0.00310714/step Wall: 14546.2, 0.00310714/step, 0.295178 hours remaining, 235.011719 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: 4658000 4050.2478 20768.6263 14411.2390 237.0592 -203648.6911 2970.6562 0.0000 0.0000 51843.6387 -109367.2240 297.9461 -161210.8627 -109008.1281 299.4505 41.4880 75.9375 762612.1646 6.5822 6.6724 PRESSURE: 4658200 -44.928 -7.76974 105.082 -7.77007 -186.828 157.762 105.081 157.762 -0.935826 GPRESSURE: 4658200 -33.3469 -6.7561 99.7587 35.9348 -136.325 141.399 60.0365 139.591 51.6047 PRESSAVG: 4658200 -15.7946 -44.0584 16.6174 -44.0583 18.3717 -1.25421 16.6174 -1.25428 -17.4192 GPRESSAVG: 4658200 -17.6923 -43.9646 17.8068 -44.2482 19.2291 -2.38893 14.6923 -0.644626 -16.2165 TIMING: 4658200 CPU: 14546.8, 0.00310394/step Wall: 14546.8, 0.00310394/step, 0.294702 hours remaining, 235.023438 MB of memory in use. ENERGY: 4658200 4071.0575 20491.9931 14486.2856 250.1594 -203632.1251 2788.7745 0.0000 0.0000 52111.1583 -109432.6967 299.4835 -161543.8550 -109061.4583 299.2252 -77.5638 -39.3558 762116.4564 -4.9474 -4.8932 PRESSURE: 4658400 72.3494 -177.933 -96.9555 -177.933 -242.872 -86.9858 -96.9559 -86.986 -66.8889 GPRESSURE: 4658400 117.672 -242.816 -17.1821 -79.415 -216.51 -69.5833 -88.8074 -10.0913 -69.385 PRESSAVG: 4658400 -18.4886 -39.5509 12.035 -39.5509 7.22244 -8.61419 12.0351 -8.61414 6.54893 GPRESSAVG: 4658400 -17.6938 -40.5328 13.107 -39.0048 6.9433 -8.04925 14.6504 -8.39998 5.8351 TIMING: 4658400 CPU: 14547.4, 0.00309694/step Wall: 14547.4, 0.00309694/step, 0.293865 hours remaining, 235.023438 MB of memory in use. ENERGY: 4658400 4034.7423 20598.5387 14449.4189 260.2345 -203141.1944 2656.7545 0.0000 0.0000 51908.7936 -109232.7120 298.3206 -161141.5055 -108873.8171 299.2362 -79.1373 -56.0741 763795.0868 -1.5724 -1.6385 PRESSURE: 4658600 -98.979 -115.197 181.691 -115.197 279.864 -17.5422 181.691 -17.5424 -328.523 GPRESSURE: 4658600 -73.1788 -74.4105 136.435 -159.132 246.518 -88.0978 199.515 92.2845 -247.445 PRESSAVG: 4658600 -13.6367 -51.5606 -32.703 -51.5607 31.4302 -26.6516 -32.7031 -26.6516 -2.53146 GPRESSAVG: 4658600 -14.886 -50.667 -34.5088 -49.8129 31.0688 -28.2118 -33.4352 -25.976 -1.10486 TIMING: 4658600 CPU: 14548, 0.00310241/step Wall: 14548, 0.00310241/step, 0.294212 hours remaining, 235.023438 MB of memory in use. ENERGY: 4658600 3991.0915 20662.7012 14425.3173 245.4910 -203380.6006 2707.1922 0.0000 0.0000 52096.4971 -109252.3102 299.3993 -161348.8074 -108889.8596 299.2862 -49.2127 -24.7019 761169.2765 5.0874 5.0260 PRESSURE: 4658800 115.947 -27.5384 -55.4162 -27.5388 287.984 88.8846 -55.4155 88.8852 222.675 GPRESSURE: 4658800 162.548 -76.3562 -73.1495 78.3941 346.816 96.4318 22.7838 55.6244 184.327 PRESSAVG: 4658800 -51.1667 -20.9204 -7.74756 -20.9204 59.0784 -45.181 -7.74758 -45.1809 -19.2791 GPRESSAVG: 4658800 -48.7152 -21.3282 -7.39578 -23.2201 58.8631 -42.8605 -7.09722 -46.0912 -21.9351 TIMING: 4658800 CPU: 14548.7, 0.00310657/step Wall: 14548.7, 0.00310657/step, 0.294434 hours remaining, 235.023438 MB of memory in use. ENERGY: 4658800 3944.2400 20511.3394 14462.0792 250.6129 -203449.6642 2764.1619 0.0000 0.0000 52275.3872 -109241.8437 300.4274 -161517.2309 -108879.3721 299.5007 208.8687 231.2301 761892.4515 -3.7891 -3.9291 PRESSURE: 4659000 -264.474 -115.802 -244.998 -115.801 22.4556 20.9655 -244.997 20.9645 -183.568 GPRESSURE: 4659000 -270.113 -110.11 -191.028 -128.689 9.98471 -33.9736 -200.505 43.2556 -76.607 PRESSAVG: 4659000 -75.4867 -29.3599 8.63306 -29.3599 63.1486 -18.6116 8.63299 -18.6117 3.36525 GPRESSAVG: 4659000 -76.0534 -27.5054 8.0356 -29.678 63.3147 -18.9886 9.70492 -18.5571 4.28583 TIMING: 4659000 CPU: 14549.3, 0.00309628/step Wall: 14549.3, 0.00309628/step, 0.293287 hours remaining, 235.023438 MB of memory in use. ENERGY: 4659000 3968.9255 20539.5057 14425.0970 237.4431 -203308.0547 2528.7545 0.0000 0.0000 52203.0924 -109405.2365 300.0119 -161608.3289 -109040.3509 299.8789 -141.8621 -112.2449 762121.8952 -2.9910 -2.8176 PRESSURE: 4659200 -230.015 -130.182 211.05 -130.18 146.92 159.77 211.05 159.771 -176.054 GPRESSURE: 4659200 -247.202 -123.885 202.508 -112.159 211.664 138.596 211.653 166.466 -138.379 PRESSAVG: 4659200 -43.6232 23.0575 6.29789 23.0575 40.8294 17.8031 6.29793 17.803 -40.7969 GPRESSAVG: 4659200 -45.2024 20.2731 5.05225 22.9888 41.7625 18.1224 3.87855 17.6948 -39.934 TIMING: 4659200 CPU: 14549.9, 0.00310168/step Wall: 14549.9, 0.00310168/step, 0.293626 hours remaining, 235.023438 MB of memory in use. ENERGY: 4659200 4031.8002 20512.6774 14454.7466 249.0875 -203604.0031 2807.7561 0.0000 0.0000 51893.0872 -109654.8481 298.2303 -161547.9353 -109292.5587 299.0488 -86.3829 -57.9721 762884.0234 -14.5302 -14.4580 PRESSURE: 4659400 -161.142 50.6089 57.55 50.6084 -343.659 -22.7087 57.5503 -22.7069 -281.954 GPRESSURE: 4659400 -132.176 84.899 30.0698 -31.7695 -306.82 13.3771 93.6531 -95.4438 -265.249 PRESSAVG: 4659400 -84.5652 -17.8528 -29.5011 -17.8528 80.1136 18.0853 -29.5011 18.0853 -2.82378 GPRESSAVG: 4659400 -83.2358 -15.065 -28.9322 -19.337 79.1131 17.7938 -28.6874 18.4102 -2.64763 TIMING: 4659400 CPU: 14550.5, 0.00309875/step Wall: 14550.5, 0.00309874/step, 0.293176 hours remaining, 235.023438 MB of memory in use. ENERGY: 4659400 3957.4109 20540.7645 14494.8754 258.8880 -203337.9386 2598.4811 0.0000 0.0000 51949.6171 -109537.9017 298.5552 -161487.5187 -109172.1606 299.2994 -262.2514 -234.7483 762788.2540 -2.4251 -2.2568 PRESSURE: 4659600 -170.539 -186.178 -34.9269 -186.178 -214.939 8.53825 -34.9265 8.53855 109.397 GPRESSURE: 4659600 -232.411 -96.4497 -7.11411 -146.407 -62.0285 -48.3392 -86.2595 69.6792 103.989 PRESSAVG: 4659600 -5.15327 -4.6448 61.1355 -4.64482 6.57959 -48.6656 61.1355 -48.6656 9.07068 GPRESSAVG: 4659600 -5.60132 -6.08871 62.9 -2.03473 7.50724 -49.1662 61.3863 -47.6332 8.67433 TIMING: 4659600 CPU: 14551.1, 0.00310763/step Wall: 14551.1, 0.00310763/step, 0.293844 hours remaining, 235.023438 MB of memory in use. ENERGY: 4659600 3990.1598 20467.0634 14440.7573 244.4725 -202907.2433 2219.3621 0.0000 0.0000 51993.9880 -109551.4401 298.8102 -161545.4281 -109194.4586 298.7117 -92.0273 -63.4835 761366.2540 3.4990 3.5267 PRESSURE: 4659800 181.665 85.8539 -197.58 85.8546 -92.6087 -47.8537 -197.58 -47.8542 86.2938 GPRESSURE: 4659800 185.188 -53.5338 -230.592 211.252 -2.29616 31.4391 -104.954 -95.2856 83.0518 PRESSAVG: 4659800 -9.5885 -26.1162 50.3778 -26.1161 64.2179 -29.6789 50.3778 -29.6789 0.275804 GPRESSAVG: 4659800 -9.73685 -25.0573 49.156 -24.3962 64.327 -28.4847 49.9236 -30.8845 0.187886 TIMING: 4659800 CPU: 14551.8, 0.00311289/step Wall: 14551.8, 0.00311289/step, 0.294168 hours remaining, 235.023438 MB of memory in use. ENERGY: 4659800 3951.0428 20461.4300 14449.7271 247.3589 -203543.7208 2854.3026 0.0000 0.0000 52064.4718 -109515.3877 299.2152 -161579.8595 -109154.7909 299.2466 58.4499 88.6479 762266.7917 18.3017 18.2593 PRESSURE: 4660000 -44.1516 -115.9 151.42 -115.9 -153.537 186.228 151.42 186.228 381.44 GPRESSURE: 4660000 7.74746 -177.417 73.4611 -36.1706 -229.814 106.122 79.3374 255.56 468.846 PRESSAVG: 4660000 8.3918 25.6707 44.0515 25.6707 -9.7518 31.4408 44.0515 31.4409 -10.9119 GPRESSAVG: 4660000 8.48021 23.8836 44.5439 23.5759 -10.2059 29.3968 43.1495 30.4999 -10.1478 TIMING: 4660000 CPU: 14552.4, 0.0031064/step Wall: 14552.4, 0.0031064/step, 0.293382 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4660000 4012.8218 20372.6963 14482.4491 242.7191 -202996.6805 2373.5323 0.0000 0.0000 52090.1540 -109422.3078 299.3628 -161512.4618 -109057.1372 298.5909 61.2504 82.2598 763703.5103 -4.0906 -3.9578 PRESSURE: 4660200 -256.235 54.3816 -102.637 54.3815 138.68 -75.1184 -102.636 -75.1177 -89.3329 GPRESSURE: 4660200 -146.812 65.1834 -36.5489 25.253 181.933 -94.8567 -48.2655 -88.2263 -160.584 PRESSAVG: 4660200 -31.5641 -6.18784 38.3735 -6.18783 69.8648 -16.1966 38.3735 -16.1967 6.96973 GPRESSAVG: 4660200 -30.3011 -7.55809 38.3066 -6.10975 69.9523 -14.2651 38.8761 -12.1328 5.36592 TIMING: 4660200 CPU: 14553, 0.00310315/step Wall: 14553, 0.00310315/step, 0.292903 hours remaining, 235.023438 MB of memory in use. ENERGY: 4660200 3985.3713 20407.6074 14429.5121 239.9138 -203555.0324 2649.8009 0.0000 0.0000 52316.3891 -109526.4377 300.6630 -161842.8267 -109169.3305 298.9964 -68.9628 -41.8211 761986.8762 15.0901 15.0057 LDB: ============= START OF LOAD BALANCING ============== 14565.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14565.5 LDB: =============== DONE WITH MIGRATION ================ 14565.5 LDB: ============= START OF LOAD BALANCING ============== 14565.8 LDB: Largest compute 7026 load 0.031423 is 16.1% of average load 0.195360 LDB: Average compute 0.004409 is 2.3% of average load 0.195360 LDB: TIME 14565.8 LOAD: AVG 0.19536 MAX 0.217033 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.754 MB LDB: TIME 14565.8 LOAD: AVG 0.19536 MAX 0.217033 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.758 MB LDB: TIME 14565.8 LOAD: AVG 0.19536 MAX 0.217033 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.758 MB LDB: ============== END OF LOAD BALANCING =============== 14565.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14565.8 PRESSURE: 4660400 33.2242 14.5939 -314.272 14.5942 -69.666 -107.4 -314.272 -107.4 -202.936 GPRESSURE: 4660400 0.487393 39.3728 -296.048 19.2988 -5.71033 -7.12169 -185.265 -237.489 -140.895 PRESSAVG: 4660400 -85.8427 3.18958 70.7347 3.18957 64.3252 -27.0684 70.7347 -27.0684 1.51229 GPRESSAVG: 4660400 -87.2271 4.84808 70.4518 1.20341 65.0186 -29.2134 68.931 -31.3762 1.89594 TIMING: 4660400 CPU: 14553.6, 0.00319359/step Wall: 14553.6, 0.00319359/step, 0.301262 hours remaining, 233.546875 MB of memory in use. ENERGY: 4660400 4055.5788 20397.7751 14455.0652 252.7417 -203466.0385 2718.4437 0.0000 0.0000 52261.5442 -109324.8899 300.3478 -161586.4341 -108969.0400 299.1081 -79.7928 -48.7059 760909.3573 -6.6684 -6.7708 PRESSURE: 4660600 -192.316 218.181 228.239 218.181 -24.521 -146.033 228.238 -146.033 222.926 GPRESSURE: 4660600 -100.259 150.641 254.674 120.869 -24.7249 -185.625 134.145 -55.8202 196.128 PRESSAVG: 4660600 -35.2279 16.3978 -28.4754 16.3978 55.5 -23.183 -28.4754 -23.1831 -0.171625 GPRESSAVG: 4660600 -36.4157 15.7579 -28.7904 17.7817 55.3719 -21.7732 -25.8782 -21.6353 0.526939 TIMING: 4660600 CPU: 14554.3, 0.00310337/step Wall: 14554.3, 0.00310337/step, 0.292579 hours remaining, 233.546875 MB of memory in use. ENERGY: 4660600 3957.0954 20476.6773 14432.0929 243.8169 -203628.9761 2698.0577 0.0000 0.0000 52208.4021 -109612.8337 300.0424 -161821.2358 -109256.3675 298.9117 2.0296 23.7150 762778.8739 6.7001 6.4944 PRESSURE: 4660800 75.1935 159.741 74.3542 159.742 148.633 -13.6269 74.3542 -13.6271 -10.5578 GPRESSURE: 4660800 97.6012 140.48 84.1813 21.5362 204.015 -131.127 103.753 -42.3836 7.49815 PRESSAVG: 4660800 -45.1917 -9.22415 29.3528 -9.2241 42.7094 -20.4947 29.3528 -20.4947 -15.6812 GPRESSAVG: 4660800 -44.7722 -10.2522 28.5403 -9.57559 41.5399 -18.107 29.7217 -22.8767 -15.1893 TIMING: 4660800 CPU: 14554.9, 0.00310201/step Wall: 14554.9, 0.00310201/step, 0.292278 hours remaining, 233.546875 MB of memory in use. ENERGY: 4660800 3899.9591 20637.2598 14483.7075 261.9632 -203935.4087 2861.9670 0.0000 0.0000 52117.9807 -109672.5714 299.5228 -161790.5521 -109309.2998 298.8080 71.0895 103.0380 762585.6534 -6.0545 -6.1405 PRESSURE: 4661000 182.597 63.464 255.459 63.4646 161.839 -353.031 255.459 -353.031 186.685 GPRESSURE: 4661000 174.704 105.63 173.167 86.4626 183.468 -383.907 192.925 -380.406 264.654 PRESSAVG: 4661000 -10.068 26.9162 43.6644 26.9163 18.478 22.733 43.6644 22.7331 -5.03345 GPRESSAVG: 4661000 -9.59181 26.8925 44.8096 28.2601 18.3951 20.1094 42.4245 25.2116 -5.64358 TIMING: 4661000 CPU: 14555.5, 0.0030848/step Wall: 14555.5, 0.0030848/step, 0.290485 hours remaining, 233.546875 MB of memory in use. ENERGY: 4661000 3942.6752 20431.5765 14403.1281 262.9117 -203397.5924 2687.5197 0.0000 0.0000 52089.6261 -109580.1550 299.3598 -161669.7811 -109203.1981 298.9191 177.0402 207.6085 762025.2432 1.1255 1.0532 PRESSURE: 4661200 -314.721 -19.4881 188.248 -19.4872 44.1601 -67.3163 188.248 -67.318 64.0776 GPRESSURE: 4661200 -175.037 29.0298 202.17 60.5644 24.3143 -34.028 270.382 78.1475 29.0959 PRESSAVG: 4661200 -72.3384 35.364 50.4214 35.3639 100.862 -32.0431 50.4214 -32.0431 -17.0139 GPRESSAVG: 4661200 -71.1817 37.9907 52.7352 32.8175 100.119 -31.5832 47.3084 -31.4057 -17.685 TIMING: 4661200 CPU: 14556.1, 0.00308233/step Wall: 14556.1, 0.00308233/step, 0.290082 hours remaining, 233.546875 MB of memory in use. ENERGY: 4661200 4054.1657 20371.1751 14448.5691 270.9520 -203507.2475 2808.9926 0.0000 0.0000 52025.7281 -109527.6650 298.9926 -161553.3931 -109162.1411 298.8746 -68.8278 -40.5421 762819.7939 3.8365 3.7508 PRESSURE: 4661400 -25.2988 -49.2655 -81.7048 -49.2645 89.4675 125.316 -81.7046 125.316 -17.3272 GPRESSURE: 4661400 13.5811 -46.5907 -123.613 6.52035 89.9566 134.527 -43.3321 109.155 18.0404 PRESSAVG: 4661400 -32.7878 -0.765488 19.7563 -0.765489 29.8081 -16.4609 19.7563 -16.4608 2.55189 GPRESSAVG: 4661400 -34.0965 -2.97519 17.4928 3.11924 29.275 -15.3645 21.6984 -17.3917 3.75627 TIMING: 4661400 CPU: 14556.7, 0.00308665/step Wall: 14556.7, 0.00308665/step, 0.290317 hours remaining, 233.546875 MB of memory in use. ENERGY: 4661400 4016.5733 20469.7833 14513.3367 260.0704 -203946.0274 2960.8655 0.0000 0.0000 52125.7673 -109599.6309 299.5675 -161725.3982 -109231.1880 299.1071 15.6138 40.5260 763157.5506 -0.1426 -0.3551 PRESSURE: 4661600 21.584 74.902 -29.9289 74.9014 -133.526 -202.55 -29.9298 -202.551 113.629 GPRESSURE: 4661600 -10.6653 77.7839 -175.493 60.0874 -18.4253 -247.258 1.08581 -206.478 131.58 PRESSAVG: 4661600 1.59524 -16.8594 -10.9473 -16.8594 23.9356 -33.0047 -10.9473 -33.0046 3.29402 GPRESSAVG: 4661600 0.887591 -15.5952 -10.758 -18.898 25.9693 -33.0512 -10.7887 -33.7692 1.53941 TIMING: 4661600 CPU: 14557.4, 0.0030908/step Wall: 14557.4, 0.0030908/step, 0.290535 hours remaining, 233.546875 MB of memory in use. ENERGY: 4661600 3930.0199 20464.5944 14440.2829 260.6060 -203585.3211 2762.7963 0.0000 0.0000 52091.2106 -109635.8110 299.3689 -161727.0216 -109272.6069 298.9179 0.5625 34.1631 761519.6520 9.6083 9.4654 PRESSURE: 4661800 -147.067 65.1148 -320.285 65.1145 150.966 5.47161 -320.287 5.47089 -76.2601 GPRESSURE: 4661800 -94.5989 217.702 -280.704 81.5865 192.276 14.6597 -326.481 -45.7102 -59.1689 PRESSAVG: 4661800 4.20254 13.4232 41.2695 13.4232 9.98783 -2.96912 41.2695 -2.96909 21.9202 GPRESSAVG: 4661800 4.67601 11.7306 41.4628 14.1046 8.09192 -2.84417 41.9525 -3.00085 23.6976 TIMING: 4661800 CPU: 14558, 0.00309875/step Wall: 14558, 0.00309875/step, 0.291111 hours remaining, 233.546875 MB of memory in use. ENERGY: 4661800 4022.7836 20323.3641 14408.5941 235.2373 -203704.5140 3041.4182 0.0000 0.0000 51889.9214 -109783.1954 298.2121 -161673.1168 -109418.5786 298.6304 -24.1203 12.8360 763402.6005 12.0368 12.1552 PRESSURE: 4662000 74.5087 -41.5153 73.3832 -41.5154 -99.3184 130.395 73.3836 130.395 33.0483 GPRESSURE: 4662000 50.8544 -6.25713 -7.74813 18.2417 3.00532 117.187 62.1344 147.999 48.0719 PRESSAVG: 4662000 -60.8722 -38.1831 32.409 -38.1831 22.474 -67.4791 32.409 -67.4792 -3.07068 GPRESSAVG: 4662000 -60.9688 -34.6082 31.1482 -40.8947 24.2073 -67.4088 32.7282 -68.1316 -5.28867 TIMING: 4662000 CPU: 14558.6, 0.00308049/step Wall: 14558.6, 0.00308049/step, 0.289224 hours remaining, 233.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4662000 3941.9246 20308.0546 14453.8872 236.5028 -203720.9868 2890.1636 0.0000 0.0000 52068.3532 -109822.1008 299.2375 -161890.4541 -109454.1375 297.9035 2.7462 33.9772 762482.2591 -13.8230 -14.0167 PRESSURE: 4662200 20.7102 -107.157 -10.4901 -107.157 -82.3811 51.3697 -10.49 51.3695 -332.968 GPRESSURE: 4662200 59.2413 -66.0996 10.0982 -252.978 -118.493 47.9598 -96.3821 44.7705 -236.337 PRESSAVG: 4662200 18.9489 26.557 -4.08557 26.557 23.6996 -35.988 -4.08556 -35.9879 15.1556 GPRESSAVG: 4662200 18.4151 22.5541 -5.09924 28.7808 21.9914 -36.7782 -3.56127 -34.8804 17.5787 TIMING: 4662200 CPU: 14559.2, 0.00309517/step Wall: 14559.2, 0.00309518/step, 0.290431 hours remaining, 233.546875 MB of memory in use. ENERGY: 4662200 3972.5426 20406.7862 14502.8028 264.6024 -203417.6773 2652.1597 0.0000 0.0000 51898.4105 -109720.3730 298.2609 -161618.7835 -109355.2318 297.8925 -131.5462 -98.5296 764031.7318 19.2680 19.3284 PRESSURE: 4662400 -214.971 170.668 -130.369 170.668 -10.2808 -34.3087 -130.369 -34.3086 -318.933 GPRESSURE: 4662400 -165.067 133.51 -177.082 185.863 17.4865 -131.141 -93.6944 65.0402 -319.363 PRESSAVG: 4662400 -80.9374 31.1075 -10.4557 31.1075 50.7669 -35.0119 -10.4557 -35.0118 -8.66153 GPRESSAVG: 4662400 -79.5665 33.125 -9.19039 30.0953 50.9731 -36.6767 -10.459 -34.8978 -10.3538 TIMING: 4662400 CPU: 14559.8, 0.00309726/step Wall: 14559.8, 0.00309726/step, 0.290455 hours remaining, 233.546875 MB of memory in use. ENERGY: 4662400 3961.9809 20599.7414 14483.2720 256.6836 -203657.3819 2823.0893 0.0000 0.0000 51887.1997 -109645.4150 298.1964 -161532.6146 -109286.9321 298.5395 -181.3947 -155.6479 762983.0050 -12.9440 -12.9824 PRESSURE: 4662600 -204.514 122.998 126.528 122.997 -297.281 -111.479 126.529 -111.478 -193.65 GPRESSURE: 4662600 -142.19 114.323 66.9164 -108.259 -332.058 -192.872 31.3638 -94.2776 -150 PRESSAVG: 4662600 24.8058 -8.86197 -17.4686 -8.86199 45.0785 -51.4385 -17.4686 -51.4384 19.2786 GPRESSAVG: 4662600 23.6876 -8.81013 -17.1223 -9.30528 45.879 -48.9722 -17.5633 -51.1755 20.0689 TIMING: 4662600 CPU: 14560.5, 0.00311208/step Wall: 14560.5, 0.00311208/step, 0.291671 hours remaining, 233.546875 MB of memory in use. ENERGY: 4662600 4021.9644 20441.9925 14489.7094 241.7888 -203542.8977 2594.0802 0.0000 0.0000 51922.3112 -109831.0512 298.3982 -161753.3624 -109464.0660 298.2674 -231.8149 -208.0825 763119.8725 29.7209 29.8785 PRESSURE: 4662800 -108.801 52.7666 -130.07 52.7671 52.9939 -28.8203 -130.07 -28.8203 -22.3019 GPRESSURE: 4662800 -92.9861 101.943 -125.38 66.2069 62.9384 -40.333 -128.257 -27.4486 20.2231 PRESSAVG: 4662800 -16.0825 -19.6596 -10.195 -19.6596 4.51531 -52.219 -10.195 -52.219 8.94464 GPRESSAVG: 4662800 -15.4503 -19.6164 -10.8604 -18.5432 3.85426 -53.5187 -11.4827 -53.8627 8.66112 TIMING: 4662800 CPU: 14561.1, 0.00310173/step Wall: 14561.1, 0.00310173/step, 0.290529 hours remaining, 233.546875 MB of memory in use. ENERGY: 4662800 3969.7709 20550.1330 14466.6501 258.7143 -203829.5926 2813.2580 0.0000 0.0000 51770.5379 -110000.5283 297.5260 -161771.0662 -109641.5709 298.0361 -26.0362 -3.2748 762432.6206 -0.8742 -0.9783 PRESSURE: 4663000 107.733 22.3216 22.5696 22.3219 -110.062 -9.4632 22.57 -9.46286 384.712 GPRESSURE: 4663000 114.885 115.782 -39.8206 114.945 -88.1791 56.5791 34.0949 23.6546 440.815 PRESSAVG: 4663000 49.1452 -15.3457 -7.09114 -15.3457 -17.4355 0.754683 -7.09115 0.754538 13.364 GPRESSAVG: 4663000 49.1964 -14.5574 -6.48832 -15.1387 -17.2976 1.02867 -6.89366 3.168 13.6344 TIMING: 4663000 CPU: 14561.7, 0.0030925/step Wall: 14561.7, 0.0030925/step, 0.289492 hours remaining, 233.546875 MB of memory in use. ENERGY: 4663000 4032.8160 20518.6461 14430.5250 247.4199 -203892.3882 2951.0619 0.0000 0.0000 51997.4608 -109714.4586 298.8301 -161711.9194 -109360.2745 298.1790 127.4611 155.8405 761303.6813 15.0245 15.1777 PRESSURE: 4663200 -196.165 -14.4546 13.0354 -14.4548 0.536228 218.281 13.0352 218.281 150.053 GPRESSURE: 4663200 -103.167 35.0101 39.5193 -51.3116 -40.8079 234.967 -10.4424 65.3523 178.08 PRESSAVG: 4663200 -44.1489 -44.4093 0.892073 -44.4093 16.4606 -10.8504 0.892068 -10.8505 -12.9583 GPRESSAVG: 4663200 -44.9026 -44.8551 1.26246 -43.7273 16.2295 -9.77915 -0.110577 -12.4363 -12.2319 TIMING: 4663200 CPU: 14562.3, 0.00311538/step Wall: 14562.3, 0.00311538/step, 0.291461 hours remaining, 233.546875 MB of memory in use. ENERGY: 4663200 3960.4950 20655.8311 14490.4216 249.5231 -203923.1002 3052.2352 0.0000 0.0000 51912.9796 -109601.6146 298.3446 -161514.5942 -109247.0665 298.8574 -15.1919 11.3684 762236.3313 -13.5489 -13.6350 PRESSURE: 4663400 -407.486 -237.015 114.048 -237.015 -262.069 -69.8759 114.047 -69.8752 -134.019 GPRESSURE: 4663400 -287.611 -182.51 67.5768 -243.904 -312.095 -132.986 -56.6933 -134.217 -132.193 PRESSAVG: 4663400 4.47214 -43.7403 5.68283 -43.7403 -24.1778 8.19947 5.6828 8.19949 5.50753 GPRESSAVG: 4663400 4.70131 -43.9368 4.7127 -42.9759 -24.7308 7.00046 7.20993 9.00946 5.63938 TIMING: 4663400 CPU: 14562.9, 0.00308011/step Wall: 14562.9, 0.00308011/step, 0.287991 hours remaining, 233.546875 MB of memory in use. ENERGY: 4663400 3963.2337 20452.4923 14550.2241 241.6116 -203160.1024 2241.7807 0.0000 0.0000 52301.1363 -109409.6236 300.5753 -161710.7599 -109036.3676 299.3533 -267.8582 -243.9663 762159.9342 -4.7327 -4.7967 PRESSURE: 4663600 -161.497 180.97 -110.443 180.97 -3.15919 -126.009 -110.444 -126.009 30.7763 GPRESSURE: 4663600 -85.1903 135.346 -21.4093 156.23 36.0823 -136.605 -65.8138 43.4403 -7.04947 PRESSAVG: 4663600 45.5151 1.93062 -10.7781 1.93068 -31.1563 -6.51098 -10.7782 -6.51104 -5.71144 GPRESSAVG: 4663600 46.3836 2.12418 -10.6739 1.22249 -31.4322 -4.1446 -9.67631 -7.99684 -6.56854 TIMING: 4663600 CPU: 14563.5, 0.00308309/step Wall: 14563.5, 0.00308309/step, 0.288097 hours remaining, 233.546875 MB of memory in use. ENERGY: 4663600 4058.5140 20566.6198 14543.0324 237.9919 -203506.3372 2677.2015 0.0000 0.0000 52083.5690 -109339.4087 299.3250 -161422.9777 -108987.1709 299.3228 -44.6268 -18.7192 762654.1422 2.8825 2.7943 PRESSURE: 4663800 116.952 125.195 145.748 125.194 -72.4132 -109.448 145.748 -109.449 268.712 GPRESSURE: 4663800 50.9003 195.427 148.848 22.0006 8.52736 -146.782 -41.4964 -73.8391 327.606 PRESSAVG: 4663800 24.1688 -25.446 43.702 -25.446 -19.2609 -24.7111 43.7021 -24.7111 -3.67457 GPRESSAVG: 4663800 23.2028 -25.75 43.9353 -26.6013 -18.6799 -26.3144 43.7233 -23.5113 -3.08216 TIMING: 4663800 CPU: 14564.2, 0.00309062/step Wall: 14564.2, 0.00309062/step, 0.28863 hours remaining, 233.546875 MB of memory in use. ENERGY: 4663800 3975.5213 20529.9431 14492.6466 256.2089 -203346.0736 2718.7658 0.0000 0.0000 52101.4301 -109271.5578 299.4276 -161372.9879 -108901.9723 300.0956 104.4169 129.0112 761596.1429 0.4111 0.4802 PRESSURE: 4664000 -97.2554 -150.153 -163.834 -150.152 21.7797 87.3335 -163.833 87.3329 -374.26 GPRESSURE: 4664000 -76.4059 -134.535 -78.7957 -54.4166 31.0276 136.545 -195.399 -111.121 -326.012 PRESSAVG: 4664000 38.1363 5.99776 -11.0094 5.99781 3.18587 62.7101 -11.0094 62.71 -6.81491 GPRESSAVG: 4664000 38.6292 6.70434 -10.526 6.81312 2.94853 62.7723 -14.4424 61.8716 -7.06156 TIMING: 4664000 CPU: 14564.8, 0.00308281/step Wall: 14564.8, 0.00308281/step, 0.287729 hours remaining, 233.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4664000 4010.0429 20437.1221 14511.5345 257.8284 -203241.2447 2557.1247 0.0000 0.0000 52016.2132 -109451.3788 298.9379 -161467.5920 -109097.0412 299.3711 -149.9118 -123.7967 762977.3711 11.5024 11.5054 PRESSURE: 4664200 81.9045 105.844 -361.258 105.843 -39.2246 21.5307 -361.259 21.5306 -354.208 GPRESSURE: 4664200 106.273 11.1759 -346.78 42.9752 38.786 -22.3556 -320.156 -5.34308 -370.961 PRESSAVG: 4664200 17.464 5.71354 -8.12509 5.71355 7.79077 -14.5464 -8.12519 -14.5464 -1.8407 GPRESSAVG: 4664200 18.1438 4.87634 -8.07617 5.23341 7.63229 -14.9049 -6.41584 -13.897 -1.97726 TIMING: 4664200 CPU: 14565.4, 0.00308665/step Wall: 14565.4, 0.00308665/step, 0.287916 hours remaining, 233.546875 MB of memory in use. ENERGY: 4664200 3935.2287 20523.9859 14437.0441 254.9427 -203195.1433 2480.7854 0.0000 0.0000 52110.3892 -109452.7673 299.4791 -161563.1565 -109090.5589 299.5103 -103.8428 -75.3008 761776.3860 7.8047 7.9329 LDB: ============= START OF LOAD BALANCING ============== 14577.9 LDB: ============== END OF LOAD BALANCING =============== 14577.9 LDB: =============== DONE WITH MIGRATION ================ 14577.9 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 14578.2 LDB: Largest compute 7077 load 0.030197 is 15.5% of average load 0.195343 LDB: Average compute 0.004391 is 2.2% of average load 0.195343 LDB: TIME 14578.2 LOAD: AVG 0.195343 MAX 0.217968 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.547 MB LDB: TIME 14578.2 LOAD: AVG 0.195343 MAX 0.217968 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.746 MB LDB: TIME 14578.2 LOAD: AVG 0.195343 MAX 0.217968 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.746 MB LDB: ============== END OF LOAD BALANCING =============== 14578.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14578.2 PRESSURE: 4664400 -237.606 -153.542 20.0457 -153.542 -139.77 125.804 20.0458 125.802 -172.602 GPRESSURE: 4664400 -259.021 -90.6671 81.2573 -71.5922 -75.6082 183.096 135.155 179.124 -115.373 PRESSAVG: 4664400 -10.3404 35.4702 -38.2634 35.4702 44.6923 2.88642 -38.2634 2.88642 -5.93395 GPRESSAVG: 4664400 -11.6092 35.6784 -38.964 33.6756 45.7109 3.92053 -37.0821 0.737597 -5.42862 TIMING: 4664400 CPU: 14566, 0.00316548/step Wall: 14566, 0.00316548/step, 0.295093 hours remaining, 233.808594 MB of memory in use. ENERGY: 4664400 4006.7387 20527.5636 14402.3513 241.7386 -203471.3799 2739.2955 0.0000 0.0000 51922.9518 -109630.7403 298.4019 -161553.6922 -109265.6277 299.3125 -183.3260 -150.0007 762512.1962 9.4726 9.5577 PRESSURE: 4664600 -63.7044 407.179 16.8938 407.178 51.0387 107.466 16.8936 107.466 -135.708 GPRESSURE: 4664600 -66.08 288.724 63.5749 376.703 139.796 51.8529 -3.88601 161.871 -139.84 PRESSAVG: 4664600 19.502 62.1676 -13.3088 62.1677 22.231 -18.8972 -13.3087 -18.8973 10.722 GPRESSAVG: 4664600 19.6415 61.6467 -13.1355 63.9476 21.398 -19.0797 -15.7302 -17.4625 10.9311 TIMING: 4664600 CPU: 14566.7, 0.00309748/step Wall: 14566.7, 0.00309748/step, 0.288582 hours remaining, 233.808594 MB of memory in use. ENERGY: 4664600 3964.0888 20641.1915 14550.8780 261.3433 -203770.4978 2702.0180 0.0000 0.0000 52032.9812 -109617.9970 299.0343 -161650.9783 -109248.8289 299.1567 -49.4578 -22.0412 762016.2429 17.4850 17.3235 PRESSURE: 4664800 164.76 200.476 -36.0221 200.476 60.7289 228.596 -36.0227 228.596 414.634 GPRESSURE: 4664800 201.647 104.01 -10.0972 144.655 92.236 215.843 94.5129 87.5819 431.128 PRESSAVG: 4664800 -32.8686 48.5304 6.46501 48.5304 6.78583 -63.9169 6.46503 -63.9169 -1.94826 GPRESSAVG: 4664800 -33.4289 48.8658 5.82587 46.5995 7.31075 -65.156 8.77441 -61.8387 -1.70839 TIMING: 4664800 CPU: 14567.3, 0.00309159/step Wall: 14567.3, 0.00309159/step, 0.287861 hours remaining, 233.808594 MB of memory in use. ENERGY: 4664800 3997.8795 20589.4257 14525.1175 234.4904 -203791.0238 2683.8902 0.0000 0.0000 52118.8023 -109641.4182 299.5275 -161760.2205 -109275.7813 298.9235 213.3745 241.6703 760000.8564 -9.3437 -9.2755 PRESSURE: 4665000 -65.6698 -245.852 -50.1254 -245.852 -138.532 -188.818 -50.1256 -188.818 -59.5129 GPRESSURE: 4665000 -23.058 -247.115 -4.45566 -163.495 -140.399 -121.18 -168.648 -294.523 -13.4973 PRESSAVG: 4665000 7.81141 -32.704 -3.82787 -32.704 -18.0882 -54.4486 -3.82795 -54.4486 17.5835 GPRESSAVG: 4665000 8.73281 -34.3235 -3.16062 -31.7895 -18.4112 -54.0262 -5.29566 -57.272 17.0785 TIMING: 4665000 CPU: 14567.9, 0.00311934/step Wall: 14567.9, 0.00311934/step, 0.290272 hours remaining, 233.808594 MB of memory in use. ENERGY: 4665000 4101.6416 20742.3270 14456.2531 257.6333 -203815.2991 2643.2040 0.0000 0.0000 51981.1328 -109633.1073 298.7363 -161614.2401 -109274.6528 299.0349 -87.9048 -58.9847 761326.2811 2.4355 2.4667 PRESSURE: 4665200 -81.3251 -92.6368 -286.567 -92.6371 249.307 -68.0726 -286.566 -68.0707 388.03 GPRESSURE: 4665200 35.2164 -37.8989 -204.014 -119.156 320.374 -60.0425 -153.095 13.8801 287.671 PRESSAVG: 4665200 3.64728 1.24108 -5.40361 1.24114 35.2617 -53.3864 -5.40359 -53.3865 -0.756818 GPRESSAVG: 4665200 3.63679 2.63687 -4.21435 4.56927 35.4741 -53.0078 -4.38405 -52.8161 -0.767078 TIMING: 4665200 CPU: 14568.5, 0.00312826/step Wall: 14568.5, 0.00312826/step, 0.290928 hours remaining, 233.808594 MB of memory in use. ENERGY: 4665200 3999.5616 20621.6025 14490.2576 247.2814 -203853.6342 2807.9174 0.0000 0.0000 52106.3810 -109580.6326 299.4561 -161687.0136 -109227.9322 299.7007 185.3373 214.4206 760988.9647 12.7174 12.7813 PRESSURE: 4665400 -13.7564 29.5224 122.518 29.5233 -100.979 -358.023 122.518 -358.023 -419.529 GPRESSURE: 4665400 25.9844 6.57546 53.2745 16.8155 -144.123 -266.953 63.0576 -231.067 -334.659 PRESSAVG: 4665400 10.0459 -44.9781 -33.2567 -44.9781 16.5755 -9.68963 -33.2566 -9.68959 19.8243 GPRESSAVG: 4665400 10.5788 -44.9883 -35.1613 -48.2814 15.9671 -9.98551 -33.168 -9.35569 20.4029 TIMING: 4665400 CPU: 14569.1, 0.00311788/step Wall: 14569.1, 0.00311788/step, 0.28979 hours remaining, 233.808594 MB of memory in use. ENERGY: 4665400 4018.6578 20530.8249 14466.6324 242.6590 -203867.5745 2788.5934 0.0000 0.0000 51942.9989 -109877.2080 298.5171 -161820.2069 -109515.9719 299.1015 -178.0881 -150.9326 761404.5184 15.4819 15.6496 PRESSURE: 4665600 -119.862 65.9052 211.223 65.9052 -148.038 -216.158 211.223 -216.16 87.5309 GPRESSURE: 4665600 21.3105 39.2419 211.923 98.5214 -110.149 -215.8 117.61 -175.034 -5.91965 PRESSAVG: 4665600 -7.65001 22.3704 50.1284 22.3704 18.409 -18.6749 50.1284 -18.6748 -1.53406 GPRESSAVG: 4665600 -7.55288 21.423 51.6088 22.1177 19.0557 -18.8667 50.739 -18.7958 -2.35397 TIMING: 4665600 CPU: 14569.8, 0.00312859/step Wall: 14569.8, 0.00312859/step, 0.290611 hours remaining, 233.808594 MB of memory in use. ENERGY: 4665600 4027.2207 20461.5410 14447.5487 226.5078 -203784.9533 2656.5706 0.0000 0.0000 51912.2523 -110053.3120 298.3404 -161965.5644 -109693.3709 298.6093 -60.1230 -31.5862 762171.5679 3.0750 3.0496 PRESSURE: 4665800 -115.601 -101.589 109.573 -101.588 -320.994 109.001 109.573 109.001 -230.819 GPRESSURE: 4665800 -142.061 -7.6139 85.0044 -155.926 -271.874 127.998 165.399 59.0869 -173.107 PRESSAVG: 4665800 -10.5829 25.1811 49.5152 25.181 6.42797 11.489 49.5151 11.4889 -2.95771 GPRESSAVG: 4665800 -10.2357 26.7608 49.0563 25.9716 6.49487 11.7886 49.7592 11.8005 -2.36243 TIMING: 4665800 CPU: 14570.4, 0.00311601/step Wall: 14570.4, 0.00311601/step, 0.28927 hours remaining, 233.808594 MB of memory in use. ENERGY: 4665800 4060.2913 20623.9391 14487.1952 245.5125 -203674.1199 2692.6247 0.0000 0.0000 51467.6828 -110096.8743 295.7855 -161564.5571 -109738.7612 297.7732 -222.4715 -195.6804 764167.2715 -2.3709 -2.0344 PRESSURE: 4666000 -184.626 -56.7336 172.564 -56.7348 -478.808 94.3315 172.563 94.3317 -23.7912 GPRESSURE: 4666000 -189.389 -9.60061 88.5546 -79.0188 -337.072 146.246 104.595 92.7044 -92.4897 PRESSAVG: 4666000 -2.19808 -43.4233 13.8824 -43.4233 -29.3932 -28.8438 13.8825 -28.8438 -7.97707 GPRESSAVG: 4666000 -1.73764 -44.9145 12.9398 -43.2216 -30.2163 -30.9208 11.7496 -23.7549 -7.79624 TIMING: 4666000 CPU: 14571, 0.00309625/step Wall: 14571, 0.00309625/step, 0.287263 hours remaining, 233.796875 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: 4666000 3924.5457 20468.0291 14471.2385 237.9227 -203388.0773 2429.1129 0.0000 0.0000 51979.4200 -109877.8085 298.7264 -161857.2284 -109509.7377 298.1033 -229.0752 -206.3170 763565.1690 -13.1895 -13.2501 PRESSURE: 4666200 -534.251 -112.627 -285.355 -112.627 110.813 -24.7203 -285.355 -24.72 -326.46 GPRESSURE: 4666200 -393.821 -78.5825 -308.428 -74.6535 74.8589 -68.9428 -146.072 -64.97 -344.085 PRESSAVG: 4666200 -13.5484 15.9751 38.1144 15.9751 -16.054 33.2356 38.1144 33.2356 28.8778 GPRESSAVG: 4666200 -13.4416 14.9019 39.4175 17.3362 -16.047 34.8208 39.435 30.5523 29.2258 TIMING: 4666200 CPU: 14571.6, 0.00308898/step Wall: 14571.6, 0.00308898/step, 0.286417 hours remaining, 233.808594 MB of memory in use. ENERGY: 4666200 3993.3403 20558.3924 14466.9041 223.5102 -203526.7722 2549.2005 0.0000 0.0000 51933.4897 -109801.9350 298.4625 -161735.4247 -109442.4468 298.5592 -249.9658 -221.0155 762606.6493 -0.2416 -0.0876 PRESSURE: 4666400 -132.016 39.6537 -15.7982 39.6534 19.1507 112.375 -15.7989 112.375 -66.3864 GPRESSURE: 4666400 -61.7296 -110.724 -37.3041 38.4337 -13.09 19.3822 68.6388 -23.5815 -25.7366 PRESSAVG: 4666400 6.92213 -14.1216 -13.6458 -14.1215 -20.4709 -17.7442 -13.6458 -17.7442 -19.7624 GPRESSAVG: 4666400 7.37493 -12.8177 -15.9644 -15.6786 -21.0911 -17.0153 -12.7557 -17.6734 -20.076 TIMING: 4666400 CPU: 14572.2, 0.00310394/step Wall: 14572.2, 0.00310394/step, 0.287632 hours remaining, 233.808594 MB of memory in use. ENERGY: 4666400 4035.1425 20498.8681 14430.8197 230.8382 -203340.3339 2664.3230 0.0000 0.0000 51871.4390 -109608.9035 298.1059 -161480.3424 -109252.4992 298.5215 -59.7506 -33.5187 763042.5773 -11.1037 -11.2641 PRESSURE: 4666600 301.008 -10.9796 76.0453 -10.9795 247.023 -130.255 76.0458 -130.255 -121.472 GPRESSURE: 4666600 292.719 -18.3402 42.5032 51.8 294.396 -126.143 156.374 -111.887 -70.3203 PRESSAVG: 4666600 17.5803 -21.6613 69.7748 -21.6614 -64.7307 71.7337 69.7748 71.7337 8.32576 GPRESSAVG: 4666600 16.2097 -23.0314 70.765 -20.9064 -63.5292 68.7132 68.2018 69.6925 8.57167 TIMING: 4666600 CPU: 14572.9, 0.00308984/step Wall: 14572.9, 0.00308984/step, 0.286154 hours remaining, 233.785156 MB of memory in use. ENERGY: 4666600 4048.3003 20468.0088 14490.5550 232.4529 -203649.9652 2861.0831 0.0000 0.0000 51852.1653 -109697.3997 297.9951 -161549.5650 -109338.5813 298.4970 142.1867 172.2647 760719.2504 -12.9416 -12.9159 PRESSURE: 4666800 -197.38 39.2214 -18.1294 39.2216 -10.7892 -88.2239 -18.1291 -88.2244 -211.098 GPRESSURE: 4666800 -130.436 -23.3061 63.2991 44.052 -17.2227 -16.075 -64.6352 -28.3876 -199.584 PRESSAVG: 4666800 22.7813 -48.8425 41.2458 -48.8425 -29.3649 -9.67608 41.2458 -9.67603 -13.7428 GPRESSAVG: 4666800 22.6621 -47.8328 41.8072 -49.1254 -28.9841 -7.0084 39.2406 -7.21682 -13.8822 TIMING: 4666800 CPU: 14573.5, 0.00309728/step Wall: 14573.5, 0.00309729/step, 0.286671 hours remaining, 233.808594 MB of memory in use. ENERGY: 4666800 3968.1623 20432.9437 14409.3539 258.5841 -203381.7651 2609.6333 0.0000 0.0000 51962.6661 -109740.4217 298.6302 -161703.0878 -109377.3868 298.5293 -139.7557 -115.7477 761435.4041 -6.7755 -6.7347 PRESSURE: 4667000 -278.162 48.9563 122.389 48.9553 -144.483 218.194 122.388 218.193 -39.4642 GPRESSURE: 4667000 -277.75 21.067 134.72 79.6435 -48.1117 196.593 183.422 217.288 -37.4389 PRESSAVG: 4667000 54.9928 -12.6332 -24.0232 -12.6332 -25.0059 -6.74112 -24.0232 -6.74112 -25.6494 GPRESSAVG: 4667000 55.1833 -12.2151 -23.7418 -13.8986 -23.9336 -7.22754 -22.746 -5.5198 -26.53 TIMING: 4667000 CPU: 14574.1, 0.00310224/step Wall: 14574.1, 0.00310224/step, 0.286957 hours remaining, 233.808594 MB of memory in use. ENERGY: 4667000 4052.9509 20497.3206 14493.8240 238.3698 -203379.6377 2469.0925 0.0000 0.0000 52068.7926 -109559.2874 299.2401 -161628.0800 -109198.2673 298.6314 -154.0366 -121.1001 760777.1706 1.4458 1.5732 PRESSURE: 4667200 -135.183 -88.3591 -39.5826 -88.3596 -66.3492 -155.006 -39.5821 -155.006 -75.4996 GPRESSURE: 4667200 -216.275 -42.6448 65.2772 -60.6316 65.9047 -168.775 -139.051 -65.6885 -22.5315 PRESSAVG: 4667200 -38.0266 2.16108 19.0447 2.1611 16.5823 6.01796 19.0447 6.01789 16.0353 GPRESSAVG: 4667200 -37.9132 1.46076 18.7493 1.07484 15.8748 5.76072 21.6232 4.2494 16.3873 TIMING: 4667200 CPU: 14574.7, 0.00311493/step Wall: 14574.7, 0.00311493/step, 0.287958 hours remaining, 233.808594 MB of memory in use. ENERGY: 4667200 4010.6436 20453.6872 14483.0090 269.1237 -203330.0039 2783.2622 0.0000 0.0000 52029.9917 -109300.2864 299.0171 -161330.2782 -108938.5065 299.1206 -92.3438 -57.6340 762367.4529 -1.8030 -1.8837 PRESSURE: 4667400 -265.986 -30.3276 57.1458 -30.3264 89.1775 37.4969 57.1466 37.4963 391.079 GPRESSURE: 4667400 -138.081 -65.2162 24.021 -97.3827 83.6526 73.9054 63.7225 -124.198 361.172 PRESSAVG: 4667400 -39.9865 18.603 19.4054 18.603 20.0976 16.3132 19.4054 16.3132 -0.694282 GPRESSAVG: 4667400 -39.5047 19.0491 19.5997 21.1015 19.2299 16.5692 18.3564 17.1699 -0.661455 TIMING: 4667400 CPU: 14575.3, 0.0030977/step Wall: 14575.3, 0.0030977/step, 0.286193 hours remaining, 233.808594 MB of memory in use. ENERGY: 4667400 4040.0194 20404.4451 14511.6502 258.2690 -203413.5777 2737.0499 0.0000 0.0000 52183.3986 -109278.7455 299.8987 -161462.1441 -108923.5822 299.6078 71.4235 102.2478 761652.9696 -6.8611 -6.9788 PRESSURE: 4667600 90.8321 -159.498 94.2978 -159.499 95.5411 146.124 94.2986 146.125 -128.542 GPRESSURE: 4667600 158.055 -252.775 85.0898 38.3195 43.407 135.77 89.1441 98.7862 -67.4036 PRESSAVG: 4667600 16.087 18.878 1.54073 18.878 12.4848 -1.59471 1.54073 -1.59465 -11.4923 GPRESSAVG: 4667600 16.2642 19.0314 0.0381333 18.2596 11.8313 -1.2878 0.485449 -1.8495 -10.8643 TIMING: 4667600 CPU: 14576, 0.00309743/step Wall: 14576, 0.00309743/step, 0.285996 hours remaining, 233.808594 MB of memory in use. ENERGY: 4667600 3993.4878 20528.1314 14532.1418 227.8246 -203347.9424 2715.0374 0.0000 0.0000 51825.5692 -109525.7501 297.8423 -161351.3193 -109164.8697 299.4408 19.2770 44.6863 761849.4403 5.6932 5.7437 PRESSURE: 4667800 -92.2027 115.502 -161.957 115.502 123.516 33.6927 -161.956 33.6926 -155.009 GPRESSURE: 4667800 -8.25627 5.56791 -66.6731 95.9805 162.907 54.445 -184.043 -34.7736 -187.795 PRESSAVG: 4667800 -11.7156 -61.7438 -13.7376 -61.7438 -4.7606 -24.4845 -13.7375 -24.4845 7.65895 GPRESSAVG: 4667800 -12.3981 -62.3125 -11.9601 -62.114 -2.99909 -24.7559 -12.3376 -24.5081 6.64392 TIMING: 4667800 CPU: 14576.6, 0.00311533/step Wall: 14576.6, 0.00311533/step, 0.287476 hours remaining, 233.808594 MB of memory in use. ENERGY: 4667800 4040.1752 20465.9515 14450.8243 238.7289 -203439.4721 2747.7386 0.0000 0.0000 52055.9841 -109440.0694 299.1665 -161496.0535 -109069.1729 298.5088 -41.2320 -11.0483 761551.9929 -2.9391 -2.9178 PRESSURE: 4668000 67.6798 -290.765 47.0862 -290.764 22.8979 38.9421 47.0867 38.9414 -262.304 GPRESSURE: 4668000 150.005 -382.176 28.6685 -203.15 30.2671 77.366 14.4108 -137.328 -259.491 PRESSAVG: 4668000 1.54492 -52.2181 -4.59883 -52.2181 46.8247 -13.1037 -4.59884 -13.1037 -8.86832 GPRESSAVG: 4668000 2.25452 -50.8356 -4.47615 -51.9136 45.5407 -12.7361 -3.63223 -13.288 -8.08924 TIMING: 4668000 CPU: 14577.2, 0.00310009/step Wall: 14577.2, 0.00310009/step, 0.285898 hours remaining, 233.808594 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: 4668000 3998.1963 20519.3885 14456.5685 272.3438 -203391.2098 2667.6942 0.0000 0.0000 51985.6071 -109491.4113 298.7620 -161477.0184 -109132.9264 298.9735 -57.2421 -26.4062 761006.3136 13.1671 13.2353 PRESSURE: 4668200 317.955 -89.6101 -58.8955 -89.6106 266.166 -158.602 -58.8958 -158.602 -192.483 GPRESSURE: 4668200 249.954 -43.6954 -54.8794 -94.0144 349.922 -180.925 -82.8471 -224.014 -110.197 PRESSAVG: 4668200 -75.9595 -20.7083 -9.03778 -20.7083 46.272 9.79555 -9.03781 9.79549 7.03426 GPRESSAVG: 4668200 -76.3304 -21.9328 -10.2881 -21.4796 47.7724 8.21999 -8.55375 9.99224 6.15795 TIMING: 4668200 CPU: 14577.8, 0.00311323/step Wall: 14577.8, 0.00311323/step, 0.286936 hours remaining, 233.808594 MB of memory in use. ENERGY: 4668200 3982.5003 20555.0017 14433.0872 239.1928 -203339.0396 2753.4711 0.0000 0.0000 51793.1191 -109582.6675 297.6558 -161375.7865 -109221.6528 298.5819 130.5459 163.2264 763519.3367 -7.5511 -7.4667 LDB: ============= START OF LOAD BALANCING ============== 14590.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14590.3 LDB: =============== DONE WITH MIGRATION ================ 14590.3 LDB: ============= START OF LOAD BALANCING ============== 14590.6 LDB: Largest compute 7026 load 0.032261 is 16.5% of average load 0.195302 LDB: Average compute 0.004376 is 2.2% of average load 0.195302 LDB: TIME 14590.6 LOAD: AVG 0.195302 MAX 0.217402 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.348 MB LDB: TIME 14590.6 LOAD: AVG 0.195302 MAX 0.217402 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.418 MB LDB: TIME 14590.6 LOAD: AVG 0.195302 MAX 0.217402 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.418 MB LDB: ============== END OF LOAD BALANCING =============== 14590.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14590.6 PRESSURE: 4668400 -188.524 -11.9764 14.0236 -11.976 26.4463 -199.003 14.0252 -199.003 -14.2176 GPRESSURE: 4668400 -136.711 -43.0152 -19.8147 25.5337 33.4823 -191.214 -41.5536 -132.924 1.39762 PRESSAVG: 4668400 -43.7751 -19.4882 -51.2964 -19.4882 40.6177 -12.2606 -51.2964 -12.2606 -22.1993 GPRESSAVG: 4668400 -43.3559 -19.4985 -51.7567 -20.0273 40.0635 -11.8866 -54.174 -12.4301 -22.2371 TIMING: 4668400 CPU: 14578.5, 0.00318109/step Wall: 14578.5, 0.00318109/step, 0.293014 hours remaining, 234.890625 MB of memory in use. ENERGY: 4668400 3948.2747 20391.9608 14490.6693 250.3769 -203080.2037 2479.6947 0.0000 0.0000 51746.1010 -109773.1263 297.3856 -161519.2273 -109393.5054 298.2052 -58.7650 -33.9437 762104.7163 -8.4523 -8.5098 PRESSURE: 4668600 124.817 14.1544 -137.152 14.1546 8.15219 139.924 -137.152 139.925 122.864 GPRESSURE: 4668600 155.71 10.5662 -230.469 -124.351 -17.0588 165.478 -137 57.9052 197.258 PRESSAVG: 4668600 30.5277 29.0818 -36.2417 29.0819 7.84996 -11.1265 -36.2417 -11.1265 7.68374 GPRESSAVG: 4668600 30.8999 31.0668 -35.0017 28.7994 7.65569 -12.1044 -38.247 -9.77633 8.19135 TIMING: 4668600 CPU: 14579.1, 0.00310753/step Wall: 14579.1, 0.00310753/step, 0.286065 hours remaining, 235.148438 MB of memory in use. ENERGY: 4668600 3927.9599 20474.1783 14468.3127 231.5409 -203196.9029 2624.2236 0.0000 0.0000 52026.8322 -109443.8554 298.9989 -161470.6875 -109090.3300 298.0904 85.2775 111.9699 762723.0255 15.3538 15.5823 PRESSURE: 4668800 99.1918 116.007 -93.3061 116.007 -164.472 233.428 -93.3062 233.429 -135.524 GPRESSURE: 4668800 156.154 89.5861 -106.868 81.3963 -94.6992 190.073 -137.69 249.945 -175.582 PRESSAVG: 4668800 17.0464 21.4213 -10.6947 21.4211 -40.7711 -15.0132 -10.6948 -15.0132 -29.1759 GPRESSAVG: 4668800 16.6876 20.786 -10.1848 22.5661 -41.6844 -13.8744 -8.75677 -16.1 -28.3936 TIMING: 4668800 CPU: 14579.7, 0.00310721/step Wall: 14579.7, 0.00310721/step, 0.285864 hours remaining, 235.214844 MB of memory in use. ENERGY: 4668800 3959.3144 20667.7819 14525.0483 260.5377 -203396.9476 2651.7746 0.0000 0.0000 51918.2051 -109414.2856 298.3746 -161332.4907 -109052.1290 298.5054 -66.9348 -38.0424 761915.7486 -17.6335 -17.7968 PRESSURE: 4669000 -293.009 99.2369 -226.779 99.2372 166.339 -131.623 -226.778 -131.623 153.442 GPRESSURE: 4669000 -157.451 103.56 -254.149 99.7258 155.373 -156.468 -191.098 -53.6565 121.421 PRESSAVG: 4669000 -2.93461 30.7314 -62.2899 30.7315 -8.6017 -39.6267 -62.2898 -39.6268 50.7067 GPRESSAVG: 4669000 -3.98451 29.6153 -63.36 30.693 -6.85868 -40.1493 -63.6556 -39.9244 49.8607 TIMING: 4669000 CPU: 14580.3, 0.00311829/step Wall: 14580.3, 0.00311829/step, 0.286709 hours remaining, 235.214844 MB of memory in use. ENERGY: 4669000 4015.3266 20467.7548 14421.1608 244.8225 -203260.6284 2457.0402 0.0000 0.0000 52333.8894 -109320.6341 300.7636 -161654.5235 -108947.4433 299.0673 8.9240 39.7809 762548.7371 13.0568 13.0058 PRESSURE: 4669200 263.712 -199.853 89.0579 -199.853 180.507 56.4615 89.0579 56.462 334.197 GPRESSURE: 4669200 254.719 -121.879 84.6563 -220.154 211.74 37.4058 52.5807 118.192 408.106 PRESSAVG: 4669200 23.1472 -4.46127 -35.0261 -4.46136 -24.2244 -15.0717 -35.026 -15.0717 -3.0244 GPRESSAVG: 4669200 24.3161 -5.19391 -34.2786 -4.30202 -25.6898 -15.7384 -32.7926 -13.6782 -2.00304 TIMING: 4669200 CPU: 14581, 0.00311958/step Wall: 14581, 0.00311958/step, 0.286655 hours remaining, 235.214844 MB of memory in use. ENERGY: 4669200 4020.7970 20521.6372 14411.2280 254.3229 -203378.0163 2938.3062 0.0000 0.0000 51981.4675 -109250.2575 298.7382 -161231.7250 -108886.6934 299.4985 259.4721 291.5216 762155.2118 -1.3672 -1.1256 PRESSURE: 4669400 -544.685 295.596 -40.5708 295.596 55.4868 5.92666 -40.5706 5.92746 -215.733 GPRESSURE: 4669400 -473.644 186.364 26.412 305.733 92.3261 -6.98662 17.1382 -41.8111 -245.667 PRESSAVG: 4669400 -39.689 -13.7213 48.9342 -13.7213 76.4777 19.5422 48.9342 19.5422 -12.4933 GPRESSAVG: 4669400 -40.2815 -13.8004 48.6188 -15.2789 77.6257 20.3346 49.0945 18.021 -13.286 TIMING: 4669400 CPU: 14581.6, 0.00312359/step Wall: 14581.6, 0.00312359/step, 0.286849 hours remaining, 235.214844 MB of memory in use. ENERGY: 4669400 3973.7283 20445.0678 14525.5375 237.7451 -203245.2294 2580.8124 0.0000 0.0000 52095.6350 -109386.7033 299.3943 -161482.3382 -109031.4108 298.9419 -234.9770 -208.9949 761596.5359 8.0985 8.0194 PRESSURE: 4669600 -191.81 -138.294 -124.796 -138.295 122.754 -13.6141 -124.796 -13.6133 -285.316 GPRESSURE: 4669600 -151.463 93.5913 -98.1196 -118.488 130.842 -9.5232 -87.1956 81.3302 -244.68 PRESSAVG: 4669600 -68.6374 -30.4451 12.8878 -30.4452 32.1947 -1.59411 12.8879 -1.59405 15.0667 GPRESSAVG: 4669600 -68.8102 -29.4833 13.7323 -28.668 32.4937 -2.37714 13.5784 -1.2339 14.7059 TIMING: 4669600 CPU: 14582.2, 0.00309899/step Wall: 14582.2, 0.00309899/step, 0.284418 hours remaining, 235.214844 MB of memory in use. ENERGY: 4669600 3983.2010 20429.1946 14507.8290 259.3270 -203512.9721 2680.2465 0.0000 0.0000 52255.8932 -109397.2808 300.3153 -161653.1740 -109032.3314 299.2193 -118.1239 -88.4336 760819.0375 -7.1253 -7.2036 PRESSURE: 4669800 -73.6345 -25.0689 -148.539 -25.0689 -175.698 18.6138 -148.539 18.6133 105.582 GPRESSURE: 4669800 1.76913 -74.1283 -155.031 66.6403 -128.955 53.015 -4.38608 19.9807 85.0862 PRESSAVG: 4669800 31.6419 10.0104 10.8211 10.0103 5.23156 -0.363515 10.8211 -0.363556 -0.528429 GPRESSAVG: 4669800 32.5664 10.2665 12.4102 10.131 4.70473 0.976362 7.95753 -1.5505 -0.786128 TIMING: 4669800 CPU: 14582.8, 0.00310116/step Wall: 14582.8, 0.00310116/step, 0.284446 hours remaining, 235.214844 MB of memory in use. ENERGY: 4669800 3929.1784 20340.5965 14380.5151 242.3050 -202983.1545 2496.7906 0.0000 0.0000 52199.4958 -109394.2731 299.9912 -161593.7689 -109030.9100 299.0938 -47.9168 -14.0334 763229.3949 12.1150 12.1617 PRESSURE: 4670000 -225.341 157.836 45.3501 157.836 -468.093 -35.965 45.3505 -35.9648 -107.752 GPRESSURE: 4670000 -264.611 92.2369 -35.9173 69.9109 -364.606 -124.913 34.8579 -111.136 -93.4429 PRESSAVG: 4670000 -6.86324 32.4069 -20.3115 32.4069 17.1081 21.3404 -20.3115 21.3405 -12.1867 GPRESSAVG: 4670000 -8.32651 31.3862 -21.1647 31.5964 18.4451 20.1248 -19.2844 23.281 -11.6385 TIMING: 4670000 CPU: 14583.5, 0.00311746/step Wall: 14583.5, 0.00311746/step, 0.285767 hours remaining, 235.214844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4670000 4003.9595 20340.9605 14498.7296 239.8454 -203250.3585 2653.1201 0.0000 0.0000 51978.7828 -109534.9607 298.7228 -161513.7435 -109167.9981 298.5451 -267.0622 -240.8865 761817.3410 -0.6473 -0.5066 PRESSURE: 4670200 142.742 -55.7694 -50.3123 -55.7699 -23.5775 58.4248 -50.3129 58.4255 70.8895 GPRESSURE: 4670200 189.041 -66.8956 -68.7858 -74.9563 -42.6689 -69.6927 -65.8407 85.9148 133.855 PRESSAVG: 4670200 -19.597 43.2472 -32.8092 43.2471 -2.6149 -38.7851 -32.8092 -38.7851 -8.8618 GPRESSAVG: 4670200 -18.8199 45.8409 -32.5557 43.0353 -2.9607 -38.8282 -35.6548 -38.4077 -9.15876 TIMING: 4670200 CPU: 14584.1, 0.0031104/step Wall: 14584.1, 0.0031104/step, 0.284948 hours remaining, 235.214844 MB of memory in use. ENERGY: 4670200 3874.3202 20379.0123 14431.3953 265.6184 -202967.7812 2511.9870 0.0000 0.0000 52140.3048 -109365.1432 299.6510 -161505.4480 -109006.0168 299.0211 63.3515 93.4090 761346.3469 -10.3579 -10.3131 PRESSURE: 4670400 -321.113 -114.857 261.939 -114.857 -22.1171 -110.32 261.939 -110.32 202.988 GPRESSURE: 4670400 -205.541 -77.6056 273.942 -65.6091 70.6433 -56.8089 82.1447 -8.14106 99.409 PRESSAVG: 4670400 -20.5075 54.3674 -3.98738 54.3674 18.8533 15.8301 -3.98734 15.8301 23.9488 GPRESSAVG: 4670400 -19.9621 53.0205 -5.0909 55.7671 18.0658 16.3334 -2.01357 15.9719 23.7926 TIMING: 4670400 CPU: 14584.7, 0.00313187/step Wall: 14584.7, 0.00313187/step, 0.28674 hours remaining, 235.214844 MB of memory in use. ENERGY: 4670400 4007.3288 20273.5781 14400.1681 254.3459 -202696.8776 2515.9588 0.0000 0.0000 51939.9085 -109305.5894 298.4994 -161245.4979 -108949.3111 298.9672 -46.7472 -11.8295 762682.0322 7.4316 7.2987 PRESSURE: 4670600 242.537 -61.6886 37.8159 -61.6873 -389.838 56.3831 37.8159 56.3821 361.642 GPRESSURE: 4670600 260.213 -26.6681 135.16 -105.698 -317.073 49.5285 -93.0878 -41.2573 364.875 PRESSAVG: 4670600 -27.3173 14.1733 -36.7312 14.1733 24.4903 -24.2302 -36.7312 -24.2301 -3.70953 GPRESSAVG: 4670600 -28.3134 13.9121 -36.9096 11.9264 24.7207 -22.6693 -36.1455 -25.5456 -2.56828 TIMING: 4670600 CPU: 14585.3, 0.00310661/step Wall: 14585.3, 0.00310661/step, 0.284255 hours remaining, 235.214844 MB of memory in use. ENERGY: 4670600 3983.4784 20327.8484 14451.1119 239.4006 -203061.8285 2653.1716 0.0000 0.0000 52159.7392 -109247.0785 299.7627 -161406.8177 -108888.0377 299.1105 71.4471 102.6717 761934.0728 -2.1788 -2.0537 PRESSURE: 4670800 61.9158 48.8932 0.747163 48.8935 -134.22 -100.087 0.74688 -100.085 101.486 GPRESSURE: 4670800 133.634 78.3364 14.4747 57.2477 -103.443 -218.21 20.0786 -131.683 73.0296 PRESSAVG: 4670800 37.5326 -31.6343 -27.1438 -31.6344 -19.9384 -20.2307 -27.1438 -20.2307 19.338 GPRESSAVG: 4670800 38.3534 -29.8171 -27.4054 -30.1326 -20.7191 -22.4353 -28.6487 -18.9483 18.9079 TIMING: 4670800 CPU: 14585.9, 0.00311322/step Wall: 14585.9, 0.00311322/step, 0.284686 hours remaining, 235.214844 MB of memory in use. ENERGY: 4670800 4078.4602 20385.8435 14524.3793 237.9791 -203388.3339 2814.4779 0.0000 0.0000 52068.3316 -109278.8623 299.2374 -161347.1938 -108918.8107 299.1156 9.7271 34.4067 761974.4640 12.3107 12.1808 PRESSURE: 4671000 -15.1659 14.4211 -3.22558 14.4204 -118.722 -345.762 -3.22529 -345.762 332.206 GPRESSURE: 4671000 62.3403 53.7175 2.98231 138.66 -137.933 -241.254 77.1806 -234.581 363.308 PRESSAVG: 4671000 7.19516 -49.5134 -8.58434 -49.5134 37.6352 1.02576 -8.58434 1.02572 4.83743 GPRESSAVG: 4671000 8.59368 -51.0364 -8.5336 -48.9484 36.7794 1.19975 -7.76473 -0.205588 4.07745 TIMING: 4671000 CPU: 14586.6, 0.00312275/step Wall: 14586.6, 0.00312275/step, 0.285385 hours remaining, 235.214844 MB of memory in use. ENERGY: 4671000 3956.6928 20397.2774 14522.3464 235.8254 -203090.5409 2677.6279 0.0000 0.0000 52227.5683 -109073.2027 300.1526 -161300.7710 -108716.9913 299.6989 66.1061 95.9049 763638.3914 16.5559 16.4835 PRESSURE: 4671200 -48.5268 39.87 -20.383 39.8695 -187.942 34.9408 -20.3832 34.9414 -172.668 GPRESSURE: 4671200 -106.119 74.2659 9.7488 -35.3162 -37.3099 40.9823 -2.36565 -12.5691 -174.93 PRESSAVG: 4671200 0.409897 -13.33 21.7538 -13.33 -14.1609 -13.4913 21.7537 -13.4914 -4.6653 GPRESSAVG: 4671200 -0.876636 -12.0922 22.4033 -13.2847 -12.6258 -13.1299 22.292 -12.7464 -4.71528 TIMING: 4671200 CPU: 14587.2, 0.00309987/step Wall: 14587.2, 0.00309987/step, 0.283121 hours remaining, 235.214844 MB of memory in use. ENERGY: 4671200 4071.0225 20466.3837 14386.6004 249.6493 -203612.3002 2923.7985 0.0000 0.0000 52106.1558 -109408.6899 299.4548 -161514.8457 -109040.4934 299.1173 -136.3791 -106.1197 762881.3273 -6.1388 -6.0726 PRESSURE: 4671400 -30.3862 262.416 217.596 262.416 82.0666 -71.1222 217.596 -71.1211 135.563 GPRESSURE: 4671400 -31.6259 136.641 150.088 294.086 123.216 -30.3683 260.449 40.3837 172.207 PRESSAVG: 4671400 -4.93158 25.8346 34.6169 25.8346 -42.2699 -27.2937 34.6168 -27.2937 -8.78366 GPRESSAVG: 4671400 -5.67775 23.3449 33.4356 25.8087 -42.2642 -26.5265 34.8386 -28.7961 -7.84831 TIMING: 4671400 CPU: 14587.8, 0.0031448/step Wall: 14587.8, 0.0031448/step, 0.28705 hours remaining, 235.214844 MB of memory in use. ENERGY: 4671400 3898.2021 20608.1622 14498.7533 250.6052 -203245.3777 2630.5928 0.0000 0.0000 51903.1822 -109455.8799 298.2883 -161359.0622 -109092.3597 299.1380 62.4144 87.9322 762372.7372 -18.6617 -18.5967 PRESSURE: 4671600 -190.901 -262.014 -42.8391 -262.015 -22.7685 20.3326 -42.8381 20.3318 -391.972 GPRESSURE: 4671600 -200.693 -172.129 3.94478 -278.489 29.5657 44.0926 -199.089 -14.2499 -346.015 PRESSAVG: 4671600 4.80731 21.0829 6.6084 21.0829 -7.76368 -29.0619 6.60841 -29.0619 -3.64965 GPRESSAVG: 4671600 5.56928 21.4967 5.4014 17.9875 -8.1989 -29.9065 6.55519 -28.6991 -3.40358 TIMING: 4671600 CPU: 14588.4, 0.00312489/step Wall: 14588.4, 0.00312489/step, 0.28506 hours remaining, 235.214844 MB of memory in use. ENERGY: 4671600 4038.6197 20529.8001 14488.1103 243.3977 -203356.7186 2532.6832 0.0000 0.0000 52274.9365 -109249.1711 300.4248 -161524.1075 -108892.3830 299.5817 -201.8806 -172.3810 764189.3300 -2.2020 -2.0111 PRESSURE: 4671800 -339.113 330.389 -193.446 330.389 -63.4281 92.2599 -193.445 92.26 -244.431 GPRESSURE: 4671800 -297.872 293.043 -180.855 290.772 -34.9758 30.9472 -125.585 79.4329 -240.752 PRESSAVG: 4671800 19.7836 -1.35633 -17.4857 -1.35624 35.4797 5.12822 -17.4856 5.12824 14.7518 GPRESSAVG: 4671800 19.0337 -2.15001 -14.937 2.13126 35.7328 5.95098 -19.6779 4.01996 15.7057 TIMING: 4671800 CPU: 14589.1, 0.00311835/step Wall: 14589.1, 0.00311835/step, 0.284289 hours remaining, 235.214844 MB of memory in use. ENERGY: 4671800 4025.5502 20508.6727 14451.0393 266.4490 -203834.9917 2816.9074 0.0000 0.0000 52245.6441 -109520.7289 300.2564 -161766.3730 -109163.5173 299.5568 -215.6573 -191.2001 763277.4677 23.3383 23.4907 PRESSURE: 4672000 -348.143 79.2497 201.816 79.2502 -120.649 -92.0659 201.815 -92.0657 278.113 GPRESSURE: 4672000 -245.24 40.1691 211.853 59.4363 -134.09 -105.163 162.341 -121.427 274.503 PRESSAVG: 4672000 9.5901 18.2608 24.4761 18.2609 4.52869 -24.2194 24.4761 -24.2193 2.95579 GPRESSAVG: 4672000 10.716 19.5048 24.768 18.1407 4.56241 -24.0249 26.9653 -24.6214 1.63463 TIMING: 4672000 CPU: 14589.7, 0.00315506/step Wall: 14589.7, 0.00315507/step, 0.287462 hours remaining, 235.214844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4672000 3944.6654 20453.9303 14452.4938 265.4231 -203666.5813 3015.1382 0.0000 0.0000 51983.4415 -109551.4889 298.7496 -161534.9304 -109193.1859 299.0076 -63.5597 -34.9421 763038.1697 5.6915 5.6377 PRESSURE: 4672200 171.061 -52.0337 -207.729 -52.0341 -85.5092 317.98 -207.729 317.981 -59.722 GPRESSURE: 4672200 82.6061 -41.1605 -200.582 -51.0022 40.9139 359.81 -105.458 178.972 -23.1282 PRESSAVG: 4672200 49.3958 -1.6689 -6.27725 -1.66886 -63.0224 2.95496 -6.27726 2.95499 -13.0388 GPRESSAVG: 4672200 49.0188 -2.51209 -6.42543 -2.70345 -63.6214 3.5741 -5.44495 3.75478 -11.854 TIMING: 4672200 CPU: 14590.3, 0.00315405/step Wall: 14590.3, 0.00315405/step, 0.287193 hours remaining, 235.214844 MB of memory in use. ENERGY: 4672200 3995.7263 20515.4453 14509.7931 239.2708 -203455.6517 2641.0730 0.0000 0.0000 52002.6757 -109551.6675 298.8601 -161554.3432 -109188.1816 298.8517 8.6098 33.4639 764470.3438 -8.8885 -8.8189 LDB: ============= START OF LOAD BALANCING ============== 14602.8 LDB: ============== END OF LOAD BALANCING =============== 14602.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14602.8 LDB: ============= START OF LOAD BALANCING ============== 14603.1 LDB: Largest compute 7060 load 0.032548 is 16.7% of average load 0.195381 LDB: Average compute 0.004397 is 2.3% of average load 0.195381 LDB: TIME 14603.1 LOAD: AVG 0.195381 MAX 0.216811 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.75 MB LDB: TIME 14603.1 LOAD: AVG 0.195381 MAX 0.216811 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.75 MB LDB: TIME 14603.1 LOAD: AVG 0.195381 MAX 0.216811 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.75 MB LDB: ============== END OF LOAD BALANCING =============== 14603.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14603.1 PRESSURE: 4672400 713.961 -111.942 71.9478 -111.942 134.651 -73.7176 71.9479 -73.7162 473.656 GPRESSURE: 4672400 679.358 -111.049 89.8994 -97.0563 160.059 -130.537 54.8718 -5.67464 558.486 PRESSAVG: 4672400 -30.0282 25.6765 -57.4254 25.6765 20.6344 60.7786 -57.4254 60.7786 -10.9265 GPRESSAVG: 4672400 -30.4661 25.4445 -58.4362 26.4667 21.6977 59.7636 -57.1597 62.4741 -11.3063 TIMING: 4672400 CPU: 14591, 0.00319498/step Wall: 14591, 0.00319498/step, 0.290743 hours remaining, 235.031250 MB of memory in use. ENERGY: 4672400 3910.2285 20448.9898 14502.3687 264.2902 -203801.9983 3319.1132 0.0000 0.0000 51734.7583 -109622.2495 297.3204 -161357.0079 -109255.9109 299.0727 440.7559 465.9676 761727.9238 -6.7734 -6.6915 PRESSURE: 4672600 -275.396 24.0551 -138.119 24.0555 -186.646 -80.0867 -138.118 -80.0876 -385.162 GPRESSURE: 4672600 -243.399 13.2248 -230.639 54.4774 -202.196 -100.721 -32.8834 10.6006 -332.841 PRESSAVG: 4672600 0.854452 -25.292 50.3643 -25.292 2.67911 -5.24203 50.3643 -5.24201 -3.61932 GPRESSAVG: 4672600 1.32286 -23.2236 50.4857 -26.6303 2.46876 -3.8343 50.1163 -7.73921 -4.06174 TIMING: 4672600 CPU: 14591.6, 0.00312365/step Wall: 14591.6, 0.00312365/step, 0.284079 hours remaining, 235.097656 MB of memory in use. ENERGY: 4672600 3992.1931 20475.2876 14424.2164 259.6707 -203242.2211 2468.1858 0.0000 0.0000 51764.2732 -109858.3942 297.4900 -161622.6675 -109508.5693 298.2106 -282.4014 -259.4784 762622.7741 -0.0286 -0.0900 PRESSURE: 4672800 225.606 43.841 42.4336 43.8411 -117.887 -14.297 42.433 -14.2974 -192.797 GPRESSURE: 4672800 374.118 128.952 -45.7031 -96.35 -140.211 -163.179 42.6818 22.7611 -202.804 PRESSAVG: 4672800 33.023 -6.04383 -4.67505 -6.04385 -33.7116 -62.8892 -4.67503 -62.8892 3.48879 GPRESSAVG: 4672800 33.7435 -7.59647 -4.58806 -4.32283 -34.5458 -64.7694 -5.95711 -62.4328 3.69366 TIMING: 4672800 CPU: 14592.2, 0.00312367/step Wall: 14592.2, 0.00312367/step, 0.283907 hours remaining, 235.097656 MB of memory in use. ENERGY: 4672800 4009.7724 20382.3454 14450.4610 236.2903 -203180.0469 2577.5654 0.0000 0.0000 51704.5524 -109819.0599 297.1468 -161523.6123 -109456.5505 297.7602 -28.3593 10.3674 762120.3561 0.9334 0.9638 PRESSURE: 4673000 -303.385 -155.795 -83.584 -155.796 -41.9761 68.7223 -83.5835 68.7227 -216.198 GPRESSURE: 4673000 -288.564 -106.907 -103.323 -267.012 -5.10949 158.641 -11.6521 173.697 -187.255 PRESSAVG: 4673000 5.83724 5.8072 -7.788 5.80723 -1.94514 61.4759 -7.788 61.4758 -2.89218 GPRESSAVG: 4673000 4.79721 6.93292 -8.23993 3.72953 -1.9143 61.9639 -5.98952 61.0215 -2.1073 TIMING: 4673000 CPU: 14592.8, 0.00312236/step Wall: 14592.8, 0.00312236/step, 0.283615 hours remaining, 235.097656 MB of memory in use. ENERGY: 4673000 3946.2875 20397.1908 14482.0944 251.6910 -203456.3156 2543.2856 0.0000 0.0000 52109.5373 -109726.2289 299.4742 -161835.7662 -109357.2472 297.8280 -187.1864 -160.3095 763090.1043 0.3333 0.2585 PRESSURE: 4673200 -487.29 -166.996 -131.048 -166.996 -136.436 -251.42 -131.047 -251.42 131.353 GPRESSURE: 4673200 -382.353 -71.7359 -95.8646 -133.913 -152.495 -141.808 -206.191 -154.702 131.896 PRESSAVG: 4673200 -61.7743 -6.61388 -4.00396 -6.61393 56.2875 -2.70911 -4.00393 -2.70911 0.679043 GPRESSAVG: 4673200 -61.9229 -7.39598 -2.67538 -6.14936 57.1788 -4.15816 -5.17783 -0.137779 -0.139274 TIMING: 4673200 CPU: 14593.5, 0.00310496/step Wall: 14593.5, 0.00310496/step, 0.281861 hours remaining, 235.097656 MB of memory in use. ENERGY: 4673200 4019.7031 20398.3256 14484.4879 240.4065 -203336.7159 2573.8434 0.0000 0.0000 51808.0803 -109811.8692 297.7417 -161619.9495 -109447.4188 298.4531 -164.1245 -134.3173 764045.8552 -1.6026 -1.6278 PRESSURE: 4673400 -318.479 76.199 -14.012 76.2002 -134.211 35.2326 -14.0118 35.2316 -242.596 GPRESSURE: 4673400 -365.202 2.5301 -76.3972 49.7474 -31.1778 63.5856 46.976 54.8409 -212.663 PRESSAVG: 4673400 -39.0807 13.3908 29.6377 13.3908 13.4024 16.3481 29.6377 16.348 -6.45682 GPRESSAVG: 4673400 -39.0554 13.6157 28.2376 14.5595 12.216 18.8946 31.7532 14.7152 -5.08146 TIMING: 4673400 CPU: 14594.1, 0.00312807/step Wall: 14594.1, 0.00312807/step, 0.283786 hours remaining, 235.097656 MB of memory in use. ENERGY: 4673400 4039.6125 20451.9608 14442.8537 235.2979 -203649.5133 2632.2638 0.0000 0.0000 52085.9800 -109761.5446 299.3388 -161847.5246 -109395.8063 298.6445 -231.7620 -203.0142 761838.2450 -10.7117 -10.6403 PRESSURE: 4673600 218.6 88.6164 204.59 88.6162 -64.1527 -125.784 204.591 -125.785 292.599 GPRESSURE: 4673600 288.585 65.0622 240.92 169.875 -44.3292 -158.4 68.2354 -153.996 310.119 PRESSAVG: 4673600 -30.2015 68.4128 15.3611 68.4127 11.6142 -5.72838 15.3612 -5.72843 -1.91564 GPRESSAVG: 4673600 -29.7742 68.8651 16.7356 68.2198 11.9651 -5.65357 14.9566 -9.04925 -2.48053 TIMING: 4673600 CPU: 14594.7, 0.00311691/step Wall: 14594.7, 0.00311691/step, 0.2826 hours remaining, 235.097656 MB of memory in use. ENERGY: 4673600 3993.4109 20559.8878 14525.8932 263.6524 -203588.1928 2646.6728 0.0000 0.0000 51927.8467 -109670.8291 298.4300 -161598.6758 -109318.2636 298.2898 149.0154 184.7916 760830.9145 -6.8343 -6.7632 PRESSURE: 4673800 -180.361 -161.458 30.329 -161.457 -32.9385 -199.727 30.3288 -199.728 -1.17647 GPRESSURE: 4673800 -96.9148 -161.82 -31.2023 -186.946 -72.7784 -177.327 31.3918 -136.982 37.4446 PRESSAVG: 4673800 19.6003 41.0576 54.2391 41.0577 -18.5495 42.9422 54.2391 42.9421 -1.44305 GPRESSAVG: 4673800 20.2549 42.1979 54.0783 40.642 -19.7732 42.6366 53.1825 44.7433 -1.13794 TIMING: 4673800 CPU: 14595.3, 0.00312139/step Wall: 14595.3, 0.00312139/step, 0.282832 hours remaining, 235.097656 MB of memory in use. ENERGY: 4673800 4026.2810 20378.8101 14530.5949 258.5997 -203531.9612 2847.6606 0.0000 0.0000 51857.7951 -109632.2198 298.0275 -161490.0149 -109267.1026 298.7890 -71.4919 -44.0829 761595.6233 -0.1307 -0.2187 PRESSURE: 4674000 -97.4383 26.1446 -154.663 26.1445 -637.868 183.247 -154.664 183.249 87.3792 GPRESSURE: 4674000 -125.574 -14.163 -131.307 11.3062 -501.838 225.717 -132.163 149.157 39.0338 PRESSAVG: 4674000 -0.705383 6.51255 12.3912 6.51257 -44.9721 0.465843 12.3911 0.465859 -3.32822 GPRESSAVG: 4674000 -0.356267 4.8242 11.8344 6.22777 -43.7791 -0.351997 13.7895 1.62106 -5.22604 TIMING: 4674000 CPU: 14596, 0.00310843/step Wall: 14596, 0.00310843/step, 0.281485 hours remaining, 235.097656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4674000 3939.4083 20564.7448 14510.0244 271.6763 -203048.5460 2398.8637 0.0000 0.0000 51577.7460 -109786.0824 296.4180 -161363.8284 -109421.1431 298.2859 -215.9757 -196.1262 764016.9805 -16.3352 -16.4538 PRESSURE: 4674200 -140.98 -78.02 -62.1496 -78.0198 -35.1658 -137.336 -62.1507 -137.336 30.2697 GPRESSURE: 4674200 -176.27 -117.282 -89.5209 -57.9749 -7.45484 -41.547 63.0612 -123.153 135.448 PRESSAVG: 4674200 2.4856 8.978 -13.597 8.97795 -11.228 38.6316 -13.597 38.6316 -18.0617 GPRESSAVG: 4674200 0.0999617 8.05202 -14.6304 8.86529 -11.2084 39.0508 -13.1446 38.0593 -15.3981 TIMING: 4674200 CPU: 14596.6, 0.00310525/step Wall: 14596.6, 0.00310525/step, 0.281025 hours remaining, 235.097656 MB of memory in use. ENERGY: 4674200 3864.4928 20435.5865 14408.9403 251.2539 -203771.9032 2894.9844 0.0000 0.0000 51810.8592 -110105.7860 297.7577 -161916.6452 -109750.5097 297.9130 -48.6255 -16.0922 762663.5140 -8.9347 -8.8355 PRESSURE: 4674400 150.586 -26.7602 316.971 -26.7603 -9.96253 -87.1865 316.97 -87.1872 456.875 GPRESSURE: 4674400 64.6317 94.3118 333.112 -10.64 156.448 -130.916 354.427 104.308 477.214 PRESSAVG: 4674400 -44.8148 -34.8981 10.3617 -34.8981 13.5406 -19.425 10.3618 -19.4251 7.96558 GPRESSAVG: 4674400 -42.9945 -32.2682 11.5033 -36.1952 13.6309 -19.0722 7.09292 -17.9455 6.14962 TIMING: 4674400 CPU: 14597.2, 0.00311231/step Wall: 14597.2, 0.00311231/step, 0.281491 hours remaining, 235.097656 MB of memory in use. ENERGY: 4674400 4002.4768 20438.5013 14425.6967 252.4131 -203920.5853 3004.0706 0.0000 0.0000 51825.8743 -109971.5526 297.8440 -161797.4268 -109614.1106 297.6690 199.1662 232.7645 760986.9201 -7.7696 -7.7380 PRESSURE: 4674600 623.659 -66.2705 -212.464 -66.2712 -48.6523 -125.593 -212.464 -125.592 -207.73 GPRESSURE: 4674600 639.205 -45.1684 -202.648 -64.2749 63.1778 -70.0353 -110.844 -102.176 -252.314 PRESSAVG: 4674600 87.9609 -28.6414 54.3117 -28.6415 -86.9838 -16.7347 54.3117 -16.7347 -1.52224 GPRESSAVG: 4674600 86.7473 -30.0219 53.7901 -27.0067 -86.3727 -18.7839 57.0002 -16.9786 -1.26295 TIMING: 4674600 CPU: 14597.8, 0.00311961/step Wall: 14597.8, 0.0031196/step, 0.281978 hours remaining, 235.097656 MB of memory in use. ENERGY: 4674600 4062.3692 20549.2936 14456.7001 263.8798 -203952.8118 2911.6596 0.0000 0.0000 51897.1650 -109811.7445 298.2537 -161708.9095 -109445.5598 297.5874 122.4255 150.0228 761855.7668 -0.1817 -0.2961 PRESSURE: 4674800 -191.474 60.6034 -137.921 60.604 54.183 60.6747 -137.92 60.6751 121.353 GPRESSURE: 4674800 -64.8258 -56.2763 -75.3486 73.6452 -21.5298 -36.883 -146.556 129.272 143.687 PRESSAVG: 4674800 47.7995 9.23415 40.9997 9.23413 -33.1735 -23.2078 40.9997 -23.2078 10.052 GPRESSAVG: 4674800 49.1977 6.63183 40.8654 9.71103 -34.7435 -21.278 41.2134 -23.4517 10.3286 TIMING: 4674800 CPU: 14598.4, 0.00312486/step Wall: 14598.4, 0.00312486/step, 0.282279 hours remaining, 235.097656 MB of memory in use. ENERGY: 4674800 3971.8205 20362.6190 14436.6943 245.8781 -203529.0473 2939.3502 0.0000 0.0000 51936.7320 -109635.9532 298.4811 -161572.6852 -109269.8821 298.3207 -5.3128 19.1104 762034.5889 8.2260 8.2609 PRESSURE: 4675000 181.717 47.5079 42.2986 47.5069 286.737 175.705 42.2984 175.705 -458.733 GPRESSURE: 4675000 295.383 129.828 16.9914 155.87 210.444 198.274 39.107 138.051 -397.92 PRESSAVG: 4675000 19.6959 1.32447 20.8034 1.32438 -35.9765 8.9284 20.8034 8.92829 -13.5679 GPRESSAVG: 4675000 19.9548 4.0978 21.7349 0.706583 -35.872 8.56098 18.5583 7.50712 -13.539 TIMING: 4675000 CPU: 14599.1, 0.00310119/step Wall: 14599.1, 0.0031012/step, 0.279969 hours remaining, 235.097656 MB of memory in use. ENERGY: 4675000 3982.8918 20393.0294 14517.5212 251.1122 -203717.8553 3045.4271 0.0000 0.0000 51995.5271 -109532.3465 298.8190 -161527.8737 -109164.9849 299.1075 3.2404 35.9692 760713.5077 -9.9495 -9.8187 PRESSURE: 4675200 221.827 142.761 229.408 142.761 -65.2482 -48.1767 229.408 -48.1767 -70.5905 GPRESSURE: 4675200 156.07 13.2623 188.448 220.967 31.7478 -94.6189 243.649 43.6732 -5.78972 PRESSAVG: 4675200 40.3538 3.33097 27.6364 3.33103 -45.8393 11.7499 27.6364 11.7498 14.2973 GPRESSAVG: 4675200 38.676 1.65563 26.8252 4.2591 -44.4071 12.2696 29.1365 13.5615 14.1533 TIMING: 4675200 CPU: 14599.7, 0.00310128/step Wall: 14599.7, 0.00310128/step, 0.279804 hours remaining, 235.097656 MB of memory in use. ENERGY: 4675200 4020.7034 20501.7966 14476.0980 252.3638 -203507.9159 2809.1025 0.0000 0.0000 51876.1056 -109571.7459 298.1327 -161447.8515 -109205.2444 299.4812 28.6627 60.6762 760375.8016 2.9372 2.8074 PRESSURE: 4675400 -130.58 -9.66097 -256.657 -9.66066 173.677 19.5998 -256.658 19.6007 -122.04 GPRESSURE: 4675400 -180.295 31.4791 -227.123 6.29755 264.122 10.63 -231.716 -17.4339 -85.8999 PRESSAVG: 4675400 -43.52 -14.1588 -1.86944 -14.1588 49.9212 -7.19819 -1.86945 -7.1982 2.94468 GPRESSAVG: 4675400 -43.9869 -13.4688 -0.48581 -15.028 49.5022 -8.56267 -2.37713 -8.83521 3.20974 TIMING: 4675400 CPU: 14600.3, 0.00311619/step Wall: 14600.3, 0.00311619/step, 0.280977 hours remaining, 235.097656 MB of memory in use. ENERGY: 4675400 3925.1378 20373.7201 14514.6402 245.2543 -202976.9605 2352.0120 0.0000 0.0000 52246.0742 -109320.1218 300.2589 -161566.1960 -108942.3948 298.9791 -26.3143 -0.6910 761504.9333 3.1153 2.9083 PRESSURE: 4675600 28.3946 81.0729 -204.134 81.073 -29.7438 42.0978 -204.134 42.0973 166.717 GPRESSURE: 4675600 54.0811 28.5049 -131.253 20.1563 20.6921 -13.661 -253.634 -30.1978 164.52 PRESSAVG: 4675600 -1.13377 -29.7613 -16.1952 -29.7614 -9.88779 -59.7338 -16.1952 -59.7339 0.805902 GPRESSAVG: 4675600 0.265372 -30.807 -16.948 -29.1344 -10.689 -58.6745 -16.5124 -60.7022 0.218698 TIMING: 4675600 CPU: 14600.9, 0.00310592/step Wall: 14600.9, 0.00310592/step, 0.279878 hours remaining, 235.097656 MB of memory in use. ENERGY: 4675600 4056.0610 20565.9903 14482.5316 247.9773 -203889.6514 3053.6364 0.0000 0.0000 52444.6928 -109038.7619 301.4004 -161483.4547 -108675.3774 299.8101 55.1227 79.7643 761784.2848 -3.4052 -3.4016 PRESSURE: 4675800 192.687 -15.3369 -32.1738 -15.3382 -22.1049 108.777 -32.1733 108.777 23.4509 GPRESSURE: 4675800 283.863 117.689 -30.7891 -84.135 -44.9749 42.6929 -65.7064 -18.349 29.7438 PRESSAVG: 4675800 40.4761 6.35471 -2.37913 6.35472 -65.9694 -0.476765 -2.37908 -0.476778 2.04092 GPRESSAVG: 4675800 39.0407 6.72642 -2.8218 5.14355 -65.0079 -1.27721 -0.554997 1.48495 2.15971 TIMING: 4675800 CPU: 14601.6, 0.00309837/step Wall: 14601.6, 0.00309837/step, 0.279026 hours remaining, 235.097656 MB of memory in use. ENERGY: 4675800 3948.4185 20490.9256 14548.5400 242.9182 -202992.9236 2639.9032 0.0000 0.0000 52075.9217 -109046.2964 299.2810 -161122.2181 -108680.5453 299.8459 64.6778 89.5439 763139.6573 -7.8175 -7.9358 PRESSURE: 4676000 259.386 -221.308 -31.1358 -221.308 239.617 -159.447 -31.1359 -159.448 192.741 GPRESSURE: 4676000 285.194 -110.711 -5.13193 -248.228 280.945 -181.557 -34.7034 -122.088 219.102 PRESSAVG: 4676000 -9.20069 -3.1084 43.2551 -3.10846 31.6404 27.3515 43.255 27.3515 33.0589 GPRESSAVG: 4676000 -6.96576 -1.44557 43.0636 -2.58176 29.2371 29.2702 43.0617 27.0922 33.3284 TIMING: 4676000 CPU: 14602.2, 0.00312604/step Wall: 14602.2, 0.00312604/step, 0.281343 hours remaining, 235.097656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4676000 4001.8100 20477.4817 14468.7319 245.5359 -203226.6214 2760.1052 0.0000 0.0000 52298.2691 -108974.6876 300.5589 -161272.9567 -108605.3912 299.6679 230.5812 261.7469 761712.6964 18.4995 18.5332 PRESSURE: 4676200 22.2182 -189.774 118.818 -189.773 105.632 56.8595 118.819 56.859 -184.575 GPRESSURE: 4676200 3.28851 -38.8212 223.632 -238.558 156.632 20.3385 166.751 -38.2515 -132.586 PRESSAVG: 4676200 4.1045 -17.4079 13.5369 -17.408 34.3475 -5.34437 13.5369 -5.34439 -1.21531 GPRESSAVG: 4676200 2.99861 -18.3609 14.9327 -15.7258 36.102 -7.31123 12.9185 -3.74155 -1.74983 TIMING: 4676200 CPU: 14602.8, 0.00312797/step Wall: 14602.8, 0.00312797/step, 0.281343 hours remaining, 235.097656 MB of memory in use. ENERGY: 4676200 3952.9180 20585.4053 14481.8492 244.6505 -203355.0233 2799.6961 0.0000 0.0000 52351.8475 -108938.6566 300.8668 -161290.5041 -108581.2076 300.5262 -18.9083 9.1113 762340.4692 12.4122 12.4503 LDB: ============= START OF LOAD BALANCING ============== 14615.3 LDB: ============== END OF LOAD BALANCING =============== 14615.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14615.3 LDB: ============= START OF LOAD BALANCING ============== 14615.6 LDB: Largest compute 7026 load 0.035286 is 18.1% of average load 0.195396 LDB: Average compute 0.004402 is 2.3% of average load 0.195396 LDB: TIME 14615.6 LOAD: AVG 0.195396 MAX 0.219062 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.316 MB LDB: TIME 14615.6 LOAD: AVG 0.195396 MAX 0.219062 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.316 MB LDB: TIME 14615.6 LOAD: AVG 0.195396 MAX 0.216122 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.316 MB LDB: ============== END OF LOAD BALANCING =============== 14615.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14615.6 PRESSURE: 4676400 191.496 162.756 -126.28 162.757 111.668 120.755 -126.28 120.755 195.553 GPRESSURE: 4676400 174.112 125.027 -160.665 187.885 204.028 72.4443 -114.616 -22.5675 233.862 PRESSAVG: 4676400 19.1004 10.0541 33.7119 10.0541 -11.0864 -17.205 33.7119 -17.2051 -24.362 GPRESSAVG: 4676400 18.573 9.86593 33.2671 10.4272 -11.2532 -16.5036 34.818 -21.0696 -23.8909 TIMING: 4676400 CPU: 14603.4, 0.00317148/step Wall: 14603.4, 0.00317148/step, 0.285081 hours remaining, 235.347656 MB of memory in use. ENERGY: 4676400 3972.3857 20509.0201 14431.3456 250.3096 -203473.4178 3117.1932 0.0000 0.0000 52198.8872 -108994.2764 299.9877 -161193.1636 -108632.3085 300.4731 166.2390 204.0008 763442.9971 -5.4493 -5.5237 PRESSURE: 4676600 -118.791 -136.917 23.5415 -136.916 -219.974 -109.468 23.5409 -109.469 -175.449 GPRESSURE: 4676600 -42.752 -216.387 -73.081 -24.0162 -193.936 -150.558 55.1584 -208.051 -194.777 PRESSAVG: 4676600 -46.6141 11.2615 -14.5002 11.2614 39.2634 -37.5079 -14.5002 -37.508 11.1168 GPRESSAVG: 4676600 -46.45 10.9322 -14.9431 11.251 39.4526 -38.0349 -14.1011 -32.8294 10.9976 TIMING: 4676600 CPU: 14604.1, 0.00311266/step Wall: 14604.1, 0.00311266/step, 0.27962 hours remaining, 235.359375 MB of memory in use. ENERGY: 4676600 4047.2822 20660.7440 14410.4161 241.9587 -202981.0202 2454.6009 0.0000 0.0000 52337.1071 -108828.9112 300.7821 -161166.0183 -108468.2896 299.6642 -171.4047 -143.8219 763340.6242 1.2554 1.3334 PRESSURE: 4676800 -201.531 30.4715 249.29 30.4722 179.285 98.0187 249.29 98.02 694.44 GPRESSURE: 4676800 -34.0724 69.2329 311.962 10.9959 123.707 37.4236 90.1424 -7.07023 658.504 PRESSAVG: 4676800 -25.5015 -4.27529 0.101361 -4.27533 61.6631 -1.38556 0.101397 -1.38557 -6.77624 GPRESSAVG: 4676800 -25.7996 -4.21444 1.93518 -6.37553 61.3972 -1.61767 -1.83093 -2.90427 -7.13712 TIMING: 4676800 CPU: 14604.7, 0.00311776/step Wall: 14604.7, 0.00311776/step, 0.279905 hours remaining, 235.359375 MB of memory in use. ENERGY: 4676800 3991.8333 20475.1111 14489.5891 249.9950 -203583.2063 2885.9085 0.0000 0.0000 52566.2041 -108924.5651 302.0987 -161490.7692 -108557.0700 300.3914 224.0645 249.3794 761257.6088 9.7951 9.4868 PRESSURE: 4677000 -198.052 -143.117 109.494 -143.118 -189.014 -160.266 109.494 -160.266 -98.5002 GPRESSURE: 4677000 -120.026 -10.9107 145.196 -43.0538 -192.259 -226.315 161.887 -90.7099 -114.899 PRESSAVG: 4677000 -40.2236 -10.9869 24.9739 -10.9869 68.3133 15.3803 24.9739 15.3803 20.7785 GPRESSAVG: 4677000 -39.5575 -9.55832 25.5576 -11.9208 67.5753 16.0624 25.1783 15.6475 20.7 TIMING: 4677000 CPU: 14605.3, 0.00309726/step Wall: 14605.3, 0.00309726/step, 0.277893 hours remaining, 235.359375 MB of memory in use. ENERGY: 4677000 4105.8754 20533.8110 14444.2807 251.7058 -202909.3297 2478.7713 0.0000 0.0000 51973.1603 -109121.7253 298.6905 -161094.8856 -108761.0865 299.9186 -161.8552 -142.3944 763144.4563 16.2894 16.2393 PRESSURE: 4677200 -99.6477 13.201 63.692 13.2003 -283.755 -177.378 63.6923 -177.379 -172.62 GPRESSURE: 4677200 -134.986 23.7226 63.0729 20.0402 -206.937 -230.212 105.993 -187.315 -145.519 PRESSAVG: 4677200 10.3094 11.4993 21.5888 11.4992 -56.17 -68.2926 21.5888 -68.2927 -19.9521 GPRESSAVG: 4677200 9.37931 11.9656 19.5095 14.7466 -55.8139 -68.8608 21.2044 -69.9435 -19.433 TIMING: 4677200 CPU: 14605.9, 0.00310613/step Wall: 14605.9, 0.00310613/step, 0.278517 hours remaining, 235.632812 MB of memory in use. ENERGY: 4677200 4007.0259 20630.4231 14416.1020 230.1810 -203096.5720 2595.1824 0.0000 0.0000 52182.9619 -109034.6957 299.8962 -161217.6576 -108671.5907 299.1580 -185.3410 -162.4805 764207.7666 -21.9375 -21.9559 PRESSURE: 4677400 -290.974 -89.8386 -85.668 -89.8387 272.418 17.5741 -85.6679 17.5742 -210.211 GPRESSURE: 4677400 -136.647 -134.115 -46.444 13.9649 184.724 -4.11385 -7.30667 143.629 -215.098 PRESSAVG: 4677400 9.18432 -21.9703 -46.2757 -21.9704 23.213 18.1503 -46.2757 18.1503 8.06679 GPRESSAVG: 4677400 9.99807 -22.8429 -46.0712 -22.603 23.5062 20.7493 -45.7484 17.9882 7.37093 TIMING: 4677400 CPU: 14606.5, 0.00310035/step Wall: 14606.5, 0.00310035/step, 0.277826 hours remaining, 235.632812 MB of memory in use. ENERGY: 4677400 4041.7577 20671.3475 14394.5288 236.9284 -203483.8257 2939.6423 0.0000 0.0000 51895.0153 -109304.6057 298.2414 -161199.6210 -108941.0543 299.7542 -76.2554 -55.6738 763769.9075 13.4880 13.6251 PRESSURE: 4677600 -6.30604 159.845 157.041 159.844 -333.315 215.81 157.04 215.809 50.1291 GPRESSURE: 4677600 110.952 129.091 218.975 143.71 -337.057 200.062 192.172 117.716 16.1681 PRESSAVG: 4677600 -41.065 -1.83891 -5.14149 -1.83889 1.51612 11.9726 -5.14147 11.9726 -3.51019 GPRESSAVG: 4677600 -41.5358 -2.79165 -5.25455 -2.31044 0.970027 9.21433 -5.36666 14.4524 -2.38268 TIMING: 4677600 CPU: 14607.2, 0.00309669/step Wall: 14607.2, 0.00309669/step, 0.277326 hours remaining, 235.632812 MB of memory in use. ENERGY: 4677600 4016.4011 20639.7046 14416.5597 235.2289 -203456.7426 2831.4530 0.0000 0.0000 52225.5556 -109091.8398 300.1410 -161317.3954 -108724.2976 300.0357 -96.4975 -69.9789 763845.0434 -14.3530 -14.3161 PRESSURE: 4677800 -206.524 -30.059 2.23972 -30.059 -240.031 32.1633 2.23986 32.1641 52.8244 GPRESSURE: 4677800 -72.3757 -123.873 32.6504 71.2029 -302.535 24.5092 -5.67089 -60.8823 74.9946 PRESSAVG: 4677800 -17.8653 -56.9637 37.4456 -56.9637 -5.82866 -8.55894 37.4457 -8.55894 4.53662 GPRESSAVG: 4677800 -17.3984 -56.6752 38.7498 -56.922 -4.84964 -7.00193 39.0138 -10.4443 3.63598 TIMING: 4677800 CPU: 14607.8, 0.00311345/step Wall: 14607.8, 0.00311345/step, 0.278653 hours remaining, 235.632812 MB of memory in use. ENERGY: 4677800 3967.6538 20456.7905 14401.4722 256.0387 -203418.5247 2820.0982 0.0000 0.0000 52277.2903 -109239.1811 300.4383 -161516.4714 -108866.4580 299.9657 -131.2436 -99.9721 763313.1177 -6.3858 -6.2040 PRESSURE: 4678000 -37.1197 76.4705 157.379 76.4704 84.1175 -216.845 157.379 -216.845 163.565 GPRESSURE: 4678000 35.5634 32.6132 138.265 152.444 100.01 -116.893 73.2907 -229.491 152.086 PRESSAVG: 4678000 6.00656 -7.47096 3.02817 -7.47086 7.14643 0.000800571 3.02822 0.0008267 0.378316 GPRESSAVG: 4678000 7.24489 -7.92361 1.76165 -5.37297 6.91688 -1.57673 -0.300157 0.415888 -0.740981 TIMING: 4678000 CPU: 14608.4, 0.0031365/step Wall: 14608.4, 0.0031365/step, 0.280542 hours remaining, 235.632812 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: 4678000 3912.4122 20388.7443 14448.8142 237.9240 -203036.9435 2725.8000 0.0000 0.0000 52037.2208 -109286.0281 299.0586 -161323.2489 -108919.0240 299.2066 70.1874 95.8864 763498.1209 4.5104 4.4736 PRESSURE: 4678200 3.4126 -110.763 -63.2886 -110.763 -463.582 320.759 -63.2886 320.76 243.961 GPRESSURE: 4678200 83.7414 -128.435 -22.5607 -143.882 -362.768 275.431 -39.0226 314.542 146.047 PRESSAVG: 4678200 41.809 -58.452 8.21844 -58.452 -46.746 25.2039 8.21846 25.204 30.6831 GPRESSAVG: 4678200 40.8757 -57.4709 10.1265 -60.4174 -46.0547 24.8429 8.33171 25.8008 30.9389 TIMING: 4678200 CPU: 14609, 0.00312588/step Wall: 14609, 0.00312588/step, 0.279419 hours remaining, 235.632812 MB of memory in use. ENERGY: 4678200 3978.1158 20468.8992 14517.1975 231.7428 -203484.9374 2933.6435 0.0000 0.0000 51932.5456 -109422.7930 298.4571 -161355.3386 -109070.2653 299.1324 -72.0696 -44.3266 763452.0796 8.5820 8.5866 PRESSURE: 4678400 -4.55686 -248.236 7.71553 -248.237 390.067 -232.637 7.71595 -232.638 188.02 GPRESSURE: 4678400 83.9356 -181.827 38.2709 -269.945 374.747 -217.975 92.6655 -119.783 205.282 PRESSAVG: 4678400 -15.2279 -69.3506 -4.58624 -69.3506 86.7293 -1.99796 -4.58631 -1.99797 -10.7707 GPRESSAVG: 4678400 -16.4653 -68.7348 -6.50607 -70.9021 85.9049 -0.601084 -2.09919 -2.4347 -9.36282 TIMING: 4678400 CPU: 14609.7, 0.00310556/step Wall: 14609.7, 0.00310556/step, 0.27743 hours remaining, 235.632812 MB of memory in use. ENERGY: 4678400 3931.2172 20413.8739 14395.7896 222.3515 -203268.8477 2874.7272 0.0000 0.0000 52091.1424 -109339.7459 299.3685 -161430.8883 -108973.1748 298.5325 191.1769 221.3213 763354.0182 20.2436 20.0256 PRESSURE: 4678600 -242.739 -129.002 32.3054 -129.002 -711.217 200.165 32.3055 200.164 -155.707 GPRESSURE: 4678600 -168.276 -91.2569 -21.3858 -97.2335 -707.748 267.69 68.3846 182.732 -136.683 PRESSAVG: 4678600 -36.6637 -21.4172 1.16797 -21.4172 41.9195 36.6607 1.16792 36.6607 16.1255 GPRESSAVG: 4678600 -34.785 -20.7347 3.31232 -19.5108 41.1417 36.2682 -1.33434 35.2673 15.2056 TIMING: 4678600 CPU: 14610.3, 0.00311672/step Wall: 14610.3, 0.00311672/step, 0.278254 hours remaining, 235.632812 MB of memory in use. ENERGY: 4678600 4031.8504 20266.6717 14452.4706 272.4074 -202750.6783 2501.5496 0.0000 0.0000 52022.6176 -109203.1110 298.9747 -161225.7286 -108835.7281 299.1293 -369.8879 -337.5690 765125.7654 7.1271 7.1875 PRESSURE: 4678800 -277.235 103.558 -349.232 103.557 40.23 42.7141 -349.232 42.7145 29.9263 GPRESSURE: 4678800 -183.864 39.0165 -282.289 -29.7251 -28.2572 62.8221 -373.898 33.6291 106.809 PRESSAVG: 4678800 -4.1356 -51.2372 0.679512 -51.2372 -38.1429 -25.5665 0.679588 -25.5665 -9.35152 GPRESSAVG: 4678800 -6.31489 -52.0307 -1.57284 -51.9098 -36.7895 -26.3243 1.59615 -22.3906 -8.22885 TIMING: 4678800 CPU: 14610.9, 0.00310104/step Wall: 14610.9, 0.00310104/step, 0.276682 hours remaining, 235.632812 MB of memory in use. ENERGY: 4678800 4044.9694 20541.6573 14437.4189 287.8345 -202930.1039 2657.7415 0.0000 0.0000 51938.2021 -109022.2802 298.4896 -160960.4823 -108667.1770 299.0244 -69.0264 -35.1041 764896.4425 -17.2100 -17.1111 PRESSURE: 4679000 20.8707 61.672 282.38 61.6723 -208.389 -37.9229 282.38 -37.9235 153.063 GPRESSURE: 4679000 4.02503 114.701 311.129 74.8211 -110.576 -54.7304 150.078 -42.132 142.672 PRESSAVG: 4679000 32.5162 -53.233 27.765 -53.233 -15.3022 59.251 27.7649 59.251 -1.02206 GPRESSAVG: 4679000 33.876 -52.5559 28.1593 -54.0533 -15.7667 61.2344 28.5787 57.1627 -2.36466 TIMING: 4679000 CPU: 14611.5, 0.00308973/step Wall: 14611.5, 0.00308973/step, 0.275501 hours remaining, 235.632812 MB of memory in use. ENERGY: 4679000 3978.1616 20487.2652 14455.4538 251.5242 -202847.9595 2792.7288 0.0000 0.0000 51760.3068 -109122.5191 297.4672 -160882.8259 -108764.3185 299.5726 -11.4849 12.0403 764440.4089 5.3973 5.2482 PRESSURE: 4679200 241.736 -122.465 174.594 -122.464 262.068 -102.403 174.594 -102.402 -15.385 GPRESSURE: 4679200 297.494 14.3411 99.0804 -108.594 260.957 -46.8455 144.627 -95.0613 15.1301 PRESSAVG: 4679200 9.6263 2.1317 0.184563 2.13172 9.01902 -19.3125 0.184565 -19.3124 22.9023 GPRESSAVG: 4679200 9.41025 3.50001 1.60726 1.43752 9.17618 -20.5115 -3.11698 -17.9033 23.1674 TIMING: 4679200 CPU: 14612.1, 0.00310641/step Wall: 14612.1, 0.00310641/step, 0.276816 hours remaining, 235.632812 MB of memory in use. ENERGY: 4679200 3900.3438 20618.2860 14450.0415 248.1109 -203281.6522 3047.3524 0.0000 0.0000 51974.3152 -109043.2025 298.6971 -161017.5177 -108675.4582 299.2432 162.8061 191.1938 761983.9383 13.8492 13.9179 PRESSURE: 4679400 60.5959 93.6374 -61.3113 93.6378 135.122 -205.672 -61.3119 -205.673 222.252 GPRESSURE: 4679400 195.376 -1.77948 -38.6258 64.0776 68.1175 -128.086 -65.2721 -154.898 231.949 PRESSAVG: 4679400 -41.1797 -4.94033 -13.1729 -4.94038 -36.2805 -14.0625 -13.1729 -14.0625 -9.67813 GPRESSAVG: 4679400 -41.4881 -6.42459 -15.9714 -3.72918 -35.0297 -13.8609 -9.66649 -15.1955 -10.2094 TIMING: 4679400 CPU: 14612.8, 0.00311839/step Wall: 14612.8, 0.00311839/step, 0.27771 hours remaining, 235.632812 MB of memory in use. ENERGY: 4679400 3880.5874 20453.1604 14533.2260 237.1953 -202835.2338 2637.7335 0.0000 0.0000 51989.2099 -109104.1213 298.7827 -161093.3312 -108734.5893 299.2270 139.3236 165.1475 763604.5220 -29.0461 -28.9091 PRESSURE: 4679600 -34.0458 -71.8763 122.888 -71.8771 -46.1807 -46.3243 122.888 -46.3244 -42.5818 GPRESSURE: 4679600 8.94702 -140.579 210.427 -94.1904 89.5693 -55.2525 59.5528 -152.25 -155.288 PRESSAVG: 4679600 11.0204 36.8697 -13.6635 36.8697 14.5779 56.0091 -13.6636 56.0092 11.1386 GPRESSAVG: 4679600 11.358 36.8492 -10.9794 36.9113 13.9202 55.3976 -14.9916 57.9247 11.2626 TIMING: 4679600 CPU: 14613.4, 0.00310171/step Wall: 14613.4, 0.00310172/step, 0.276053 hours remaining, 235.632812 MB of memory in use. ENERGY: 4679600 4031.1596 20549.7762 14480.2516 247.1491 -203144.9395 2606.6951 0.0000 0.0000 52165.9488 -109063.9592 299.7984 -161229.9079 -108707.6117 299.2942 -40.9361 -18.9239 763971.3915 12.2456 12.1803 PRESSURE: 4679800 -41.6926 -238.264 21.8136 -238.264 -189.713 -128.659 21.813 -128.66 39.0707 GPRESSURE: 4679800 -22.7817 -125.093 -6.28911 -217.281 -125.751 -149.315 -69.8558 -83.1487 33.6269 PRESSAVG: 4679800 63.2578 -13.447 -8.73202 -13.447 -45.9491 4.28941 -8.732 4.28945 -31.811 GPRESSAVG: 4679800 62.9481 -16.3028 -9.98742 -13.3454 -45.9476 3.97452 -6.98895 2.92809 -31.0581 TIMING: 4679800 CPU: 14614, 0.00312846/step Wall: 14614, 0.00312846/step, 0.278259 hours remaining, 235.632812 MB of memory in use. ENERGY: 4679800 4002.1731 20450.2783 14480.1314 238.6762 -203090.5201 2876.0298 0.0000 0.0000 52087.5957 -108955.6356 299.3481 -161043.2313 -108594.1262 300.0898 -64.1115 -38.3018 764838.1559 -4.8341 -4.6859 PRESSURE: 4680000 -83.405 -150.731 29.1764 -150.73 -30.4002 -25.4097 29.1765 -25.4093 239.337 GPRESSURE: 4680000 -7.01275 -196.569 -41.3876 -158.626 6.44634 -52.6077 -76.1288 -121.962 219.427 PRESSAVG: 4680000 -6.82826 -58.482 -2.64899 -58.482 -10.2666 32.9079 -2.64891 32.9079 -4.58692 GPRESSAVG: 4680000 -6.98332 -56.9951 -2.64617 -58.747 -9.1735 34.1697 -6.23091 32.6426 -5.55289 TIMING: 4680000 CPU: 14614.6, 0.00312092/step Wall: 14614.6, 0.00312092/step, 0.277415 hours remaining, 235.609375 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: 4680000 4006.5398 20538.1117 14477.0009 251.8828 -203079.0298 2658.2096 0.0000 0.0000 52128.0953 -109019.1897 299.5809 -161147.2850 -108643.3633 299.6192 41.8438 72.9535 764825.0477 -7.2272 -7.2366 PRESSURE: 4680200 -174.74 32.1641 -96.1586 32.1651 -169.903 78.0316 -96.1583 78.0314 165.495 GPRESSURE: 4680200 -168.22 104.486 -128.693 38.8116 -152.883 70.7203 38.7936 105.844 205.685 PRESSAVG: 4680200 101.393 -8.48919 -22.3532 -8.48915 -66.8045 -49.1118 -22.3532 -49.1118 -0.144543 GPRESSAVG: 4680200 102.136 -6.25238 -22.7944 -8.50015 -68.3937 -49.7646 -19.0423 -48.8562 0.220368 TIMING: 4680200 CPU: 14615.3, 0.00312584/step Wall: 14615.3, 0.00312584/step, 0.277679 hours remaining, 235.597656 MB of memory in use. ENERGY: 4680200 3918.3477 20754.7065 14529.6115 259.8234 -203324.7104 2857.8854 0.0000 0.0000 51898.8584 -109105.4775 298.2635 -161004.3359 -108742.4619 299.1316 -59.7160 -38.4729 764966.8140 11.4815 11.3210 LDB: ============= START OF LOAD BALANCING ============== 14627.7 LDB: ============== END OF LOAD BALANCING =============== 14627.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14627.7 LDB: ============= START OF LOAD BALANCING ============== 14628.1 LDB: Largest compute 7026 load 0.031646 is 16.2% of average load 0.195404 LDB: Average compute 0.004389 is 2.2% of average load 0.195404 LDB: TIME 14628.1 LOAD: AVG 0.195404 MAX 0.215509 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.293 MB LDB: TIME 14628.1 LOAD: AVG 0.195404 MAX 0.215509 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.293 MB LDB: TIME 14628.1 LOAD: AVG 0.195404 MAX 0.215509 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.293 MB LDB: ============== END OF LOAD BALANCING =============== 14628.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14628.1 PRESSURE: 4680400 -358.856 -73.2941 267.717 -73.2948 -464.594 33.1045 267.716 33.1028 -424.642 GPRESSURE: 4680400 -382.163 -90.4931 258.346 -34.3581 -442.352 78.2646 85.2681 99.2522 -355.35 PRESSAVG: 4680400 72.7515 -36.1305 -30.8989 -36.1305 -85.3731 -37.7714 -30.8989 -37.7715 24.4973 GPRESSAVG: 4680400 72.0126 -36.5929 -32.6155 -35.1641 -85.2643 -38.453 -31.9796 -37.2356 25.0031 TIMING: 4680400 CPU: 14615.9, 0.00320013/step Wall: 14615.9, 0.00320013/step, 0.2841 hours remaining, 233.171875 MB of memory in use. ENERGY: 4680400 4001.9095 20482.6933 14475.5750 238.9620 -203181.6472 2743.8656 0.0000 0.0000 51976.2821 -109262.3598 298.7084 -161238.6419 -108899.5107 299.5812 -416.0306 -393.2882 766915.5735 3.9585 3.9171 PRESSURE: 4680600 -215.529 -83.242 -95.7921 -83.2431 -432.994 -62.7058 -95.7915 -62.705 -417.515 GPRESSURE: 4680600 -166.67 -166.054 -168.167 -53.6854 -383.444 -25.8423 61.6132 -113.854 -446.451 PRESSAVG: 4680600 37.5527 -45.5936 -49.5573 -45.5936 -53.8404 10.5187 -49.5573 10.5187 -9.33595 GPRESSAVG: 4680600 37.6716 -44.4497 -48.1985 -47.5517 -54.0537 11.3935 -50.3637 9.88952 -8.95766 TIMING: 4680600 CPU: 14616.5, 0.00313338/step Wall: 14616.5, 0.00313338/step, 0.278 hours remaining, 233.171875 MB of memory in use. ENERGY: 4680600 3947.6632 20605.1650 14497.0997 242.4343 -203100.3110 2712.6334 0.0000 0.0000 51571.8561 -109523.4593 296.3842 -161095.3154 -109162.2220 298.7319 -355.3459 -332.1886 764768.6077 -8.5412 -8.4466 PRESSURE: 4680800 285.518 -53.1122 -155.856 -53.1112 42.1471 158.011 -155.856 158.011 132.791 GPRESSURE: 4680800 360.188 -49.8236 -177.648 -31.6158 77.1843 200.701 -22.693 133.042 131.166 PRESSAVG: 4680800 87.3912 -21.898 -25.8652 -21.898 -62.4753 6.98624 -25.8652 6.98619 16.3278 GPRESSAVG: 4680800 87.3583 -23.4943 -25.5823 -20.6689 -61.422 4.76706 -24.2164 8.28861 15.8393 TIMING: 4680800 CPU: 14617.2, 0.00311592/step Wall: 14617.2, 0.00311592/step, 0.276278 hours remaining, 233.171875 MB of memory in use. ENERGY: 4680800 4017.1784 20359.5534 14470.2759 264.8855 -203173.5428 2532.6998 0.0000 0.0000 51897.7027 -109631.2470 298.2568 -161528.9498 -109267.9732 297.9594 153.4855 189.5127 762346.8098 13.7479 13.9252 PRESSURE: 4681000 -11.4251 67.6833 171.516 67.6824 59.2662 159.168 171.515 159.168 -366.349 GPRESSURE: 4681000 -9.56662 64.6434 91.5277 47.8183 126.549 161.799 166.882 136.197 -339.451 PRESSAVG: 4681000 28.0809 -6.82994 12.6288 -6.82996 -7.0504 4.38138 12.6289 4.38134 -8.87379 GPRESSAVG: 4681000 27.2648 -6.77232 10.6166 -5.57223 -6.73678 6.41875 13.4316 3.67347 -7.94627 TIMING: 4681000 CPU: 14617.8, 0.00313377/step Wall: 14617.8, 0.00313377/step, 0.277687 hours remaining, 233.171875 MB of memory in use. ENERGY: 4681000 3909.3035 20428.6456 14459.4765 274.9461 -203872.3748 3091.7967 0.0000 0.0000 52067.5465 -109640.6599 299.2329 -161708.2064 -109282.1810 298.6161 -106.1694 -74.1564 762605.2375 4.0522 4.1939 PRESSURE: 4681200 487.713 119.817 199.788 119.818 -120.348 -171.596 199.788 -171.595 99.147 GPRESSURE: 4681200 496.507 98.3853 96.1493 126.543 -25.1538 -104.001 27.8797 9.50481 78.1208 PRESSAVG: 4681200 68.3962 -15.9345 -9.77271 -15.9345 -30.1037 -11.8233 -9.7727 -11.8232 10.5517 GPRESSAVG: 4681200 68.0885 -15.2408 -9.23706 -15.8269 -29.5991 -12.3386 -12.2341 -12.9887 9.88374 TIMING: 4681200 CPU: 14618.4, 0.00312779/step Wall: 14618.4, 0.00312779/step, 0.276983 hours remaining, 233.171875 MB of memory in use. ENERGY: 4681200 3985.0665 20300.2758 14440.0225 244.0443 -203499.5999 2885.1088 0.0000 0.0000 52045.4643 -109599.6177 299.1060 -161645.0820 -109226.0323 298.1573 155.5038 183.1580 761512.7021 16.2814 16.1244 PRESSURE: 4681400 85.0038 62.2073 -185.271 62.2068 447.78 92.3543 -185.272 92.3546 784.064 GPRESSURE: 4681400 156.728 -49.4896 -173.04 74.9522 489.091 56.2344 -91.8872 -41.2581 749.853 PRESSAVG: 4681400 -57.1364 -35.9459 -17.4514 -35.9459 23.6916 15.917 -17.4514 15.917 -15.2782 GPRESSAVG: 4681400 -56.1193 -36.94 -16.0387 -35.5528 21.6793 15.631 -17.4658 17.3558 -14.8477 TIMING: 4681400 CPU: 14619, 0.00311066/step Wall: 14619, 0.00311067/step, 0.275294 hours remaining, 233.171875 MB of memory in use. ENERGY: 4681400 3919.7287 20445.9173 14483.8813 229.8101 -203638.5134 2918.5876 0.0000 0.0000 52081.1392 -109559.4491 299.3110 -161640.5883 -109191.9806 298.9209 438.9494 465.2240 761116.9475 -16.2410 -16.4292 PRESSURE: 4681600 272.58 64.9213 41.3563 64.9212 -233.633 -157.081 41.3554 -157.08 328.641 GPRESSURE: 4681600 190.947 41.9287 -60.2117 21.2861 -48.5527 -102.636 159.871 -93.1408 309.383 PRESSAVG: 4681600 2.04392 43.8884 -8.61065 43.8884 26.697 -25.9927 -8.61065 -25.9927 -10.0738 GPRESSAVG: 4681600 1.85662 44.4074 -10.0288 41.0161 28.5687 -27.2752 -5.27461 -24.4268 -11.3765 TIMING: 4681600 CPU: 14619.6, 0.00311067/step Wall: 14619.6, 0.00311067/step, 0.275121 hours remaining, 233.171875 MB of memory in use. ENERGY: 4681600 3971.0453 20613.6943 14439.0337 243.2065 -203524.2460 2718.1330 0.0000 0.0000 52014.0607 -109525.0725 298.9255 -161539.1332 -109191.3518 298.5823 122.5292 150.5922 761908.0827 6.2224 6.3496 PRESSURE: 4681800 -42.8343 163.567 -168.588 163.567 223.982 56.8836 -168.588 56.8826 -250.262 GPRESSURE: 4681800 -21.5963 186.608 -103.084 195.835 223.576 30.2757 -183.745 106.046 -195.01 PRESSAVG: 4681800 25.8994 9.93951 -5.11079 9.93956 -24.5402 -29.4607 -5.11081 -29.4608 9.73365 GPRESSAVG: 4681800 24.4256 11.6868 -3.54834 10.3239 -24.6564 -28.6281 -7.49301 -32.9215 11.2182 TIMING: 4681800 CPU: 14620.3, 0.00312242/step Wall: 14620.3, 0.00312242/step, 0.275988 hours remaining, 233.171875 MB of memory in use. ENERGY: 4681800 3974.1663 20475.5246 14476.0518 258.2894 -203363.8905 2498.8972 0.0000 0.0000 52153.4628 -109527.4986 299.7267 -161680.9614 -109168.4876 298.6030 -23.0382 2.3231 761429.8256 3.6976 3.6625 PRESSURE: 4682000 171.268 75.3705 294.048 75.3703 -289.417 170.41 294.047 170.411 -46.7807 GPRESSURE: 4682000 212.2 37.5444 354.809 -1.12004 -225.04 240.116 205.168 -31.4633 -49.9181 PRESSAVG: 4682000 2.97905 26.9931 8.91861 26.9931 -14.1862 -27.9535 8.91863 -27.9535 -0.205938 GPRESSAVG: 4682000 4.07619 22.5425 8.22063 28.5618 -15.4941 -27.6905 9.49384 -28.4175 0.430879 TIMING: 4682000 CPU: 14620.9, 0.00313521/step Wall: 14620.9, 0.00313521/step, 0.276943 hours remaining, 233.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4682000 3935.1965 20412.0867 14413.0886 248.7983 -203194.7729 2697.7732 0.0000 0.0000 52062.3058 -109425.5238 299.2028 -161487.8296 -109067.4187 298.9389 -54.9765 -20.9195 762548.2010 -3.8044 -3.6623 PRESSURE: 4682200 -60.3037 274.666 13.6197 274.665 -219.87 -26.9509 13.6201 -26.9512 -164.374 GPRESSURE: 4682200 -127.26 205.462 -15.3356 215.496 -143.662 -88.5476 31.8191 143.211 -76.0734 PRESSAVG: 4682200 9.66049 -12.842 35.2672 -12.842 33.7816 -0.560946 35.2672 -0.560902 -16.3951 GPRESSAVG: 4682200 7.65392 -9.90183 37.3096 -13.4933 34.3335 -0.630697 33.4853 0.989715 -15.1146 TIMING: 4682200 CPU: 14621.5, 0.00313746/step Wall: 14621.5, 0.00313746/step, 0.276968 hours remaining, 233.171875 MB of memory in use. ENERGY: 4682200 4018.0632 20488.0383 14364.4246 250.3238 -203042.8494 2502.5744 0.0000 0.0000 51864.5898 -109554.8353 298.0665 -161419.4252 -109196.7766 299.0514 -148.1828 -115.6650 762302.3337 9.0156 8.9576 PRESSURE: 4682400 39.9537 -17.4137 18.335 -17.4139 -211.334 56.2453 18.3358 56.2456 -64.2192 GPRESSURE: 4682400 -13.5367 37.7089 75.3856 -119.808 -143.774 189.932 -79.8056 -86.9988 -14.2744 PRESSAVG: 4682400 65.7527 -23.1982 41.8185 -23.1981 -49.9566 9.21519 41.8185 9.21526 11.1329 GPRESSAVG: 4682400 65.178 -23.7598 41.0321 -22.6781 -48.2559 8.21889 41.8819 9.07692 9.66285 TIMING: 4682400 CPU: 14622.2, 0.00312357/step Wall: 14622.2, 0.00312358/step, 0.275569 hours remaining, 233.171875 MB of memory in use. ENERGY: 4682400 3983.3272 20460.9346 14312.8087 261.5491 -202825.4045 2242.3036 0.0000 0.0000 51724.6574 -109839.8238 297.2623 -161564.4812 -109469.6292 298.4291 -78.5331 -57.1950 761063.6706 8.9763 8.8617 PRESSURE: 4682600 45.6814 59.0518 134.267 59.0528 143.637 25.649 134.266 25.6499 -206.075 GPRESSURE: 4682600 131.664 12.5579 198.926 82.5148 128.643 21.8688 -3.59519 31.1923 -185.275 PRESSAVG: 4682600 20.0462 22.4364 -48.566 22.4364 -22.1891 -15.3274 -48.5661 -15.3274 1.98937 GPRESSAVG: 4682600 21.5121 23.0663 -49.4981 24.002 -22.972 -13.2406 -46.9768 -18.3604 1.21019 TIMING: 4682600 CPU: 14622.8, 0.00313809/step Wall: 14622.8, 0.00313809/step, 0.276675 hours remaining, 233.238281 MB of memory in use. ENERGY: 4682600 3988.5540 20362.0474 14361.2326 245.8127 -203443.3838 2599.4637 0.0000 0.0000 52078.3893 -109807.8840 299.2952 -161886.2733 -109451.7872 298.6603 -5.5855 25.0108 760424.4731 -0.0512 -0.0832 PRESSURE: 4682800 -190.835 -88.1881 8.95596 -88.1878 -18.6618 -270.613 8.95632 -270.614 387.052 GPRESSURE: 4682800 -47.6652 16.3032 -20.0604 -132.771 -30.1675 -280.349 65.3072 -174.855 343.722 PRESSAVG: 4682800 89.6695 12.9747 -29.4436 12.9747 -17.9558 -34.729 -29.4436 -34.7291 -4.07456 GPRESSAVG: 4682800 89.8307 12.8237 -29.4327 9.45969 -18.504 -36.3985 -27.7702 -32.9171 -3.26708 TIMING: 4682800 CPU: 14623.4, 0.00312939/step Wall: 14623.4, 0.00312939/step, 0.275734 hours remaining, 233.238281 MB of memory in use. ENERGY: 4682800 3976.8182 20396.7913 14482.8642 259.1544 -203545.0530 2838.1122 0.0000 0.0000 51846.7281 -109744.5846 297.9639 -161591.3126 -109380.7546 298.6859 59.1850 88.6299 761420.2885 22.5464 22.6866 PRESSURE: 4683000 -188.778 21.1601 51.4118 21.1612 -266.54 -170.098 51.4117 -170.098 -421.058 GPRESSURE: 4683000 -203.587 70.4819 -71.9038 85.3079 -82.0339 -134.993 -40.8632 -162.222 -506.751 PRESSAVG: 4683000 18.0463 58.2496 -29.1142 58.2496 -34.2499 26.2258 -29.1143 26.2257 13.7141 GPRESSAVG: 4683000 18.4059 56.1322 -29.3483 60.2415 -34.9073 27.2816 -32.5962 28.5957 13.3138 TIMING: 4683000 CPU: 14624, 0.00311727/step Wall: 14624, 0.00311727/step, 0.274493 hours remaining, 233.238281 MB of memory in use. ENERGY: 4683000 3910.4749 20331.6855 14486.8045 242.7851 -203379.5402 2466.7611 0.0000 0.0000 51877.5886 -110063.4406 298.1412 -161941.0292 -109692.2717 298.3525 -292.1254 -264.1238 763020.6155 -0.8299 -1.0625 PRESSURE: 4683200 239.523 92.9406 -93.4306 92.9406 -48.6158 137.851 -93.4305 137.85 -137.818 GPRESSURE: 4683200 253.583 -32.5825 -37.7211 51.6905 -39.7774 207.034 -65.6752 70.9939 -67.4578 PRESSAVG: 4683200 20.889 -6.32243 -77.9219 -6.32246 -10.8751 -32.8037 -77.9219 -32.8037 0.413083 GPRESSAVG: 4683200 20.2669 -5.38289 -76.7881 -8.61765 -9.5335 -33.6287 -75.9895 -35.0805 -0.226126 TIMING: 4683200 CPU: 14624.7, 0.0031194/step Wall: 14624.7, 0.0031194/step, 0.274507 hours remaining, 233.238281 MB of memory in use. ENERGY: 4683200 3872.4224 20343.1503 14362.6122 269.3618 -203621.1178 2795.2777 0.0000 0.0000 51966.2686 -110012.0248 298.6509 -161978.2934 -109657.8644 297.8522 17.6964 48.7827 760987.0345 3.4757 3.5024 PRESSURE: 4683400 -441.151 -31.4709 36.3291 -31.4711 -190.22 -49.894 36.329 -49.8939 -654.495 GPRESSURE: 4683400 -400.28 -7.34094 7.20979 -17.1975 -239.056 27.4261 -43.0034 -161.341 -550.284 PRESSAVG: 4683400 35.496 44.5319 -5.0925 44.5318 -8.44209 -17.5457 -5.09248 -17.5457 10.5513 GPRESSAVG: 4683400 35.9077 43.9046 -5.73129 47.1283 -9.73162 -17.3087 -4.7758 -17.632 11.0698 TIMING: 4683400 CPU: 14625.3, 0.00312108/step Wall: 14625.3, 0.00312108/step, 0.274482 hours remaining, 233.238281 MB of memory in use. ENERGY: 4683400 4010.3981 20315.0169 14460.5968 227.2143 -203401.3443 2385.4262 0.0000 0.0000 51777.1603 -110225.5317 297.5641 -162002.6919 -109866.8894 297.3636 -428.6220 -396.5397 762613.1967 12.5351 12.4153 PRESSURE: 4683600 -60.4859 147.428 -29.1296 147.427 -55.7104 -126.525 -29.1308 -126.526 -316.748 GPRESSURE: 4683600 -23.2227 106.115 -77.2627 59.4332 -68.0875 -107.638 39.3697 -11.6058 -253.391 PRESSAVG: 4683600 26.4821 -36.3259 -4.77595 -36.3259 -17.1894 -7.58041 -4.776 -7.58048 -1.23643 GPRESSAVG: 4683600 26.185 -34.3956 -4.69604 -37.7645 -16.3737 -7.05401 -6.34044 -5.87246 -1.39125 TIMING: 4683600 CPU: 14625.9, 0.00310674/step Wall: 14625.9, 0.00310674/step, 0.273048 hours remaining, 233.238281 MB of memory in use. ENERGY: 4683600 3946.7487 20291.9758 14442.5450 267.3047 -203407.7878 2562.0704 0.0000 0.0000 51701.0374 -110196.1058 297.1266 -161897.1431 -109843.7033 297.0525 -144.3149 -114.9006 762448.7718 2.6854 2.8067 PRESSURE: 4683800 -47.0038 132.437 30.8179 132.436 102.834 -10.7304 30.8186 -10.73 244.478 GPRESSURE: 4683800 -30.9245 188.191 43.523 30.539 155.758 -45.0549 43.0829 -134.86 260.173 PRESSAVG: 4683800 -9.19508 36.2118 -4.8987 36.2118 4.47827 -30.0862 -4.89874 -30.0862 15.2984 GPRESSAVG: 4683800 -9.05389 33.0476 -4.75325 37.4748 4.20307 -30.8156 -3.38702 -32.2371 15.7032 TIMING: 4683800 CPU: 14626.5, 0.00312099/step Wall: 14626.5, 0.00312099/step, 0.274127 hours remaining, 233.238281 MB of memory in use. ENERGY: 4683800 3935.7971 20301.4053 14500.0499 259.8444 -203491.9194 2554.0127 0.0000 0.0000 51895.5444 -110045.2655 298.2444 -161940.8100 -109685.3852 297.3265 100.1026 128.3353 762157.8526 3.5272 3.6175 PRESSURE: 4684000 -353.039 84.558 -239.603 84.5577 89.3199 199.672 -239.602 199.672 -14.2256 GPRESSURE: 4684000 -241.969 86.6995 -241.288 116.176 163.202 170.131 -223.1 223.092 -101.251 PRESSAVG: 4684000 -25.6851 59.8921 -4.07279 59.8921 31.2319 -1.42637 -4.07279 -1.42631 7.12099 GPRESSAVG: 4684000 -24.0226 62.0623 -4.24837 60.6036 31.29 -1.3162 -2.58265 3.06795 5.09936 TIMING: 4684000 CPU: 14627.1, 0.0031056/step Wall: 14627.1, 0.0031056/step, 0.272602 hours remaining, 233.238281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4684000 3964.3646 20241.4053 14448.6380 251.5225 -203708.1810 2808.7146 0.0000 0.0000 51892.1760 -110101.3599 298.2250 -161993.5360 -109739.1776 297.7717 -92.6483 -60.0059 762956.8923 4.2226 4.1222 PRESSURE: 4684200 -248.178 119.365 214.305 119.365 184.773 24.1111 214.305 24.1106 -167 GPRESSURE: 4684200 -212.422 193.003 238.379 117.723 197.509 48.2373 242.929 -4.30583 -134.698 PRESSAVG: 4684200 65.8162 26.0166 68.5121 26.0165 -33.9829 28.5055 68.512 28.5055 -4.01691 GPRESSAVG: 4684200 64.8522 24.7143 68.6854 23.7456 -34.9475 29.1654 67.377 23.5533 -2.37456 TIMING: 4684200 CPU: 14627.8, 0.00310842/step Wall: 14627.8, 0.00310842/step, 0.272677 hours remaining, 233.238281 MB of memory in use. ENERGY: 4684200 3888.5457 20376.1657 14437.1394 237.4776 -203334.4922 2652.2098 0.0000 0.0000 51744.6308 -109998.3231 297.3771 -161742.9540 -109636.4939 297.5536 -76.8017 -49.8705 762373.4681 9.2721 9.1767 LDB: ============= START OF LOAD BALANCING ============== 14640.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14640.2 LDB: =============== DONE WITH MIGRATION ================ 14640.2 LDB: ============= START OF LOAD BALANCING ============== 14640.6 LDB: Largest compute 7026 load 0.033031 is 16.9% of average load 0.195437 LDB: Average compute 0.004393 is 2.2% of average load 0.195437 LDB: TIME 14640.6 LOAD: AVG 0.195437 MAX 0.214798 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.738 MB LDB: TIME 14640.6 LOAD: AVG 0.195437 MAX 0.214798 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.738 MB LDB: TIME 14640.6 LOAD: AVG 0.195437 MAX 0.214798 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.738 MB LDB: ============== END OF LOAD BALANCING =============== 14640.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14640.6 PRESSURE: 4684400 -17.5285 -26.0403 -159.399 -26.0413 -70.4988 12.4958 -159.399 12.4968 205.996 GPRESSURE: 4684400 41.8836 32.4197 -111.353 26.8033 -53.8829 39.6721 -283.162 110.863 225.184 PRESSAVG: 4684400 -6.44028 56.1365 62.3516 56.1365 -15.4636 1.80859 62.3516 1.80862 2.6105 GPRESSAVG: 4684400 -7.14022 57.541 62.4998 55.9293 -15.3024 1.32407 60.5834 2.86719 3.33467 TIMING: 4684400 CPU: 14628.4, 0.0031822/step Wall: 14628.4, 0.0031822/step, 0.278973 hours remaining, 236.058594 MB of memory in use. ENERGY: 4684400 3988.8342 20471.8560 14500.0714 242.2398 -203656.7357 2950.3797 0.0000 0.0000 51579.7345 -109923.6201 296.4294 -161503.3546 -109569.8230 297.8345 39.3230 71.0616 761248.0615 -6.4311 -6.3693 PRESSURE: 4684600 44.5096 -181.342 121.517 -181.342 -12.1755 -88.7861 121.517 -88.7861 456.482 GPRESSURE: 4684600 78.0919 -197.689 27.3986 -200.051 30.0404 -16.4644 76.8244 -106.137 456.452 PRESSAVG: 4684600 73.0199 59.693 18.445 59.693 -38.0815 -7.39307 18.445 -7.39311 -30.8615 GPRESSAVG: 4684600 73.4466 58.7787 17.4053 60.7225 -37.5103 -6.02141 18.4382 -6.6293 -31.4539 TIMING: 4684600 CPU: 14629, 0.00313577/step Wall: 14629, 0.00313577/step, 0.274728 hours remaining, 236.261719 MB of memory in use. ENERGY: 4684600 3981.7922 20465.3158 14313.7466 262.0565 -203383.3033 2716.5008 0.0000 0.0000 51832.0394 -109811.8520 297.8794 -161643.8914 -109452.9557 298.1222 162.9388 188.1949 761997.7487 1.3590 1.4941 PRESSURE: 4684800 285.006 -88.5141 202.311 -88.5141 0.423276 -18.5025 202.311 -18.5036 211.28 GPRESSURE: 4684800 384.144 -125.069 193.158 -102.491 15.2339 -126.585 136.6 -82.385 173.911 PRESSAVG: 4684800 18.2648 30.9219 -22.6062 30.9219 -14.5061 1.93697 -22.6062 1.93698 4.81037 GPRESSAVG: 4684800 17.3217 30.9709 -21.7166 31.5253 -12.9646 -0.503773 -20.6913 3.42996 4.39918 TIMING: 4684800 CPU: 14629.7, 0.00310839/step Wall: 14629.7, 0.00310839/step, 0.272157 hours remaining, 236.402344 MB of memory in use. ENERGY: 4684800 3946.8286 20454.4977 14468.6279 264.4047 -203287.8810 2780.5284 0.0000 0.0000 51905.6633 -109467.3304 298.3026 -161372.9937 -109103.2616 298.9445 165.5700 191.0961 762580.2355 2.8563 2.9188 PRESSURE: 4685000 35.657 3.53483 24.8075 3.53437 -254.957 -65.4086 24.8081 -65.4084 -133.737 GPRESSURE: 4685000 63.5221 44.4735 44.8671 -34.2651 -136.527 -62.4171 20.7524 -57.2317 -182.768 PRESSAVG: 4685000 111.486 40.8762 -6.3348 40.8763 -55.8495 12.6063 -6.33482 12.6063 -19.5081 GPRESSAVG: 4685000 112.24 43.1523 -5.16686 38.9327 -56.7344 14.8948 -6.8911 10.3978 -19.4447 TIMING: 4685000 CPU: 14630.3, 0.00309525/step Wall: 14630.3, 0.00309525/step, 0.270835 hours remaining, 236.390625 MB of memory in use. ENERGY: 4685000 4022.4156 20360.5497 14526.9439 247.4703 -203156.4526 2564.8220 0.0000 0.0000 52031.6769 -109402.5742 299.0268 -161434.2512 -109033.5961 298.9379 -117.6790 -85.2576 763519.5925 12.0429 12.0204 PRESSURE: 4685200 56.3226 -217.786 -8.52534 -217.786 -11.8712 -98.7575 -8.52602 -98.7576 569.996 GPRESSURE: 4685200 123.673 -141.561 10.9082 -288.589 72.4712 -73.9393 -72.3714 -96.4752 491.043 PRESSAVG: 4685200 16.9273 36.5584 -36.2744 36.5584 -25.6286 -40.1424 -36.2744 -40.1424 25.3956 GPRESSAVG: 4685200 17.0552 35.3852 -38.286 36.0433 -24.7682 -40.0881 -38.1359 -40.021 24.4981 TIMING: 4685200 CPU: 14630.9, 0.00310756/step Wall: 14630.9, 0.00310756/step, 0.271739 hours remaining, 236.378906 MB of memory in use. ENERGY: 4685200 4017.6230 20616.0912 14513.8509 258.6106 -203877.8432 3295.1305 0.0000 0.0000 51943.9484 -109232.5886 298.5226 -161176.5371 -108877.3991 299.2579 204.8157 229.0625 763917.1090 5.5647 5.5950 PRESSURE: 4685400 165.261 27.7763 -19.4012 27.7769 272.193 9.45236 -19.4019 9.45242 -85.7304 GPRESSURE: 4685400 269.304 -13.1586 10.642 42.8586 178.408 84.0518 -0.135572 -8.77727 -28.8039 PRESSAVG: 4685400 40.3698 0.162766 0.948539 0.162739 34.5451 23.6127 0.948514 23.6127 -7.51244 GPRESSAVG: 4685400 39.721 -0.695211 0.860109 0.891536 33.1709 22.9459 1.14226 24.4046 -5.38014 TIMING: 4685400 CPU: 14631.5, 0.00310755/step Wall: 14631.5, 0.00310755/step, 0.271566 hours remaining, 236.378906 MB of memory in use. ENERGY: 4685400 4026.6128 20503.8118 14429.4671 244.0414 -203282.1671 2592.4984 0.0000 0.0000 52250.6626 -109235.0729 300.2853 -161485.7356 -108879.4068 299.1535 117.2414 139.6358 761757.8545 22.4675 22.5039 PRESSURE: 4685600 -91.9174 26.1446 -111.748 26.1442 116.236 -80.9672 -111.749 -80.968 -314.755 GPRESSURE: 4685600 -123.285 34.9264 -89.625 -55.9673 110.741 -169.602 -110.497 -107.379 -212.885 PRESSAVG: 4685600 -53.6721 -12.5152 7.967 -12.5153 41.6033 21.6316 7.96706 21.6315 10.4634 GPRESSAVG: 4685600 -53.2561 -10.9712 10.2687 -12.1745 41.9715 22.4847 8.48776 19.5661 9.17985 TIMING: 4685600 CPU: 14632.1, 0.0031119/step Wall: 14632.1, 0.0031119/step, 0.271773 hours remaining, 236.378906 MB of memory in use. ENERGY: 4685600 3938.9256 20553.7241 14522.1634 236.7663 -203225.1700 2638.7717 0.0000 0.0000 52036.1657 -109298.6532 299.0526 -161334.8189 -108928.0466 298.9519 -96.8120 -75.1432 763935.5088 -0.5351 -0.7016 PRESSURE: 4685800 -364.478 21.9616 -115.751 21.9618 245.329 180.399 -115.753 180.399 76.5216 GPRESSURE: 4685800 -293.438 44.8691 -68.6323 -44.6511 275.363 213.732 -118.638 63.2023 80.8653 PRESSAVG: 4685800 -32.8522 28.6113 3.72975 28.6113 34.7791 -9.4382 3.72973 -9.43817 9.34898 GPRESSAVG: 4685800 -33.1853 26.7836 2.39107 27.2804 34.5936 -9.2597 4.76098 -8.7553 9.79471 TIMING: 4685800 CPU: 14632.8, 0.00310771/step Wall: 14632.8, 0.00310771/step, 0.271234 hours remaining, 236.402344 MB of memory in use. ENERGY: 4685800 4027.2451 20521.6588 14552.0610 241.2538 -203047.7229 2653.2810 0.0000 0.0000 51805.8646 -109246.3586 297.7290 -161052.2232 -108885.2266 298.9895 -14.2090 20.9301 764986.6184 3.7587 3.7343 PRESSURE: 4686000 -87.0171 -83.9142 43.7029 -83.9138 -34.938 21.4244 43.7023 21.4246 182.933 GPRESSURE: 4686000 -37.582 -38.1662 12.4166 -42.9253 49.1186 22.3734 117.59 67.5106 144.416 PRESSAVG: 4686000 29.772 21.7307 -34.2501 21.7307 8.15046 6.1538 -34.2501 6.15386 3.20801 GPRESSAVG: 4686000 30.2934 22.4528 -35.3868 23.5139 8.86186 5.47434 -34.7476 6.10309 1.97679 TIMING: 4686000 CPU: 14633.4, 0.00312823/step Wall: 14633.4, 0.00312823/step, 0.272852 hours remaining, 236.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4686000 3975.9072 20420.4002 14490.0006 241.7190 -203456.4168 2781.4125 0.0000 0.0000 52384.6371 -109162.3403 301.0552 -161546.9774 -108785.1567 299.0438 20.3259 51.9841 763668.6432 13.7102 13.7107 PRESSURE: 4686200 -212.339 112.494 97.0254 112.494 99.4603 -65.3253 97.0245 -65.3238 134.593 GPRESSURE: 4686200 -95.9586 84.7967 171.291 60.9307 175.74 -67.5808 113.483 -39.9337 17.7478 PRESSAVG: 4686200 60.1288 29.9339 7.26775 29.9338 -50.2936 -22.0594 7.26776 -22.0595 -4.97592 GPRESSAVG: 4686200 59.5132 29.2702 7.45487 29.115 -50.7627 -21.3967 5.94786 -25.857 -4.34394 TIMING: 4686200 CPU: 14634, 0.00311079/step Wall: 14634, 0.00311079/step, 0.271157 hours remaining, 236.507812 MB of memory in use. ENERGY: 4686200 4048.4479 20412.3164 14454.0066 245.1071 -203321.8558 2737.0968 0.0000 0.0000 52065.7063 -109359.1746 299.2223 -161424.8810 -108983.9732 299.3935 7.2380 32.5096 763898.7023 1.6198 1.4689 PRESSURE: 4686400 -124.022 25.033 -192.099 25.033 -286.871 -6.31095 -192.099 -6.31075 149.962 GPRESSURE: 4686400 -166.338 -71.3938 -144.134 -41.1148 -243.576 -60.2484 -242.572 47.1839 222.581 PRESSAVG: 4686400 -27.76 44.9686 1.8037 44.9686 -7.54625 35.6215 1.80369 35.6216 -18.6989 GPRESSAVG: 4686400 -28.7152 45.7378 2.41366 45.7262 -7.10147 35.2112 2.8586 40.9095 -17.9894 TIMING: 4686400 CPU: 14634.6, 0.00308847/step Wall: 14634.6, 0.00308847/step, 0.26904 hours remaining, 236.507812 MB of memory in use. ENERGY: 4686400 4045.0501 20414.5128 14574.8265 242.8103 -203458.8488 2746.8464 0.0000 0.0000 52221.1358 -109213.6670 300.1156 -161434.8027 -108841.4527 299.3234 -86.9770 -62.4445 763948.4263 -18.0017 -17.9354 PRESSURE: 4686600 163.423 115.178 -55.0799 115.179 164.984 153.441 -55.0804 153.442 44.1625 GPRESSURE: 4686600 157.959 70.1539 -23.9176 81.7958 281.635 111.491 -9.52633 148.584 36.5405 PRESSAVG: 4686600 -19.7858 -21.6299 -5.13203 -21.63 30.2902 -23.5961 -5.13207 -23.5961 1.74878 GPRESSAVG: 4686600 -19.8524 -23.2792 -4.90881 -21.919 31.9464 -24.5552 -5.93149 -25.6882 0.366597 TIMING: 4686600 CPU: 14635.2, 0.00311238/step Wall: 14635.2, 0.00311238/step, 0.27095 hours remaining, 236.507812 MB of memory in use. ENERGY: 4686600 4012.4533 20427.2779 14508.4049 241.7452 -203071.5809 2742.7500 0.0000 0.0000 51839.7634 -109299.1862 297.9238 -161138.9496 -108932.6133 298.9027 124.1896 158.7116 762963.8511 4.0844 4.1535 PRESSURE: 4686800 -119.121 -156.604 157.752 -156.605 -153.499 36.1834 157.752 36.1829 53.3068 GPRESSURE: 4686800 -153.165 -189.369 148.937 -104.85 -87.3932 -72.1989 44.7696 42.5355 74.48 PRESSAVG: 4686800 25.7666 -31.3246 3.19414 -31.3246 -40.7153 -12.9575 3.19416 -12.9575 6.51195 GPRESSAVG: 4686800 26.6058 -30.5868 3.67897 -31.0276 -42.9348 -12.5012 3.23157 -12.8185 7.72981 TIMING: 4686800 CPU: 14635.9, 0.00311175/step Wall: 14635.9, 0.00311175/step, 0.270722 hours remaining, 236.507812 MB of memory in use. ENERGY: 4686800 3956.2343 20410.1804 14518.0844 237.7715 -203219.9802 2663.8459 0.0000 0.0000 52106.9203 -109326.9434 299.4592 -161433.8637 -108951.5814 299.0522 -73.1045 -55.3595 763609.1994 -2.8122 -2.8664 PRESSURE: 4687000 101.433 -216.483 136.353 -216.482 269.151 -114.638 136.352 -114.64 0.49309 GPRESSURE: 4687000 201.196 -244.534 107.602 -204.14 198.188 -34.5656 112.168 -100.232 74.4299 PRESSAVG: 4687000 -3.71968 -11.7141 58.5795 -11.7142 -22.1951 -75.7427 58.5795 -75.7427 -5.49476 GPRESSAVG: 4687000 -2.14562 -11.3752 58.8429 -11.1836 -22.1548 -76.2637 57.7808 -76.0199 -6.92452 TIMING: 4687000 CPU: 14636.5, 0.00310107/step Wall: 14636.5, 0.00310107/step, 0.26962 hours remaining, 236.507812 MB of memory in use. ENERGY: 4687000 4010.5540 20408.6803 14497.7245 266.6479 -203446.8606 2776.8099 0.0000 0.0000 52083.1841 -109403.2597 299.3228 -161486.4438 -109041.6506 299.2955 123.6922 157.9382 763109.3230 -10.4699 -10.4083 PRESSURE: 4687200 153.865 -158.093 9.25648 -158.092 -239.815 243.999 9.25584 243.999 147.526 GPRESSURE: 4687200 99.2667 -73.9243 77.4066 -188.079 -161.263 300.306 -4.49729 238.048 192.113 PRESSAVG: 4687200 28.1051 -20.7011 -18.3488 -20.701 -27.4708 -50.2485 -18.3488 -50.2486 4.62525 GPRESSAVG: 4687200 27.0503 -18.8086 -20.4659 -22.163 -26.3799 -49.4203 -16.4053 -50.7375 4.87364 TIMING: 4687200 CPU: 14637.1, 0.00308283/step Wall: 14637.1, 0.00308283/step, 0.267863 hours remaining, 236.507812 MB of memory in use. ENERGY: 4687200 3997.0534 20264.9606 14460.2125 241.7065 -203778.2533 2843.5246 0.0000 0.0000 52317.2677 -109653.5280 300.6681 -161970.7957 -109285.9393 298.7665 20.5252 43.3722 763257.7158 1.7532 1.8480 PRESSURE: 4687400 -132.032 165.722 -10.929 165.721 53.9323 -107.614 -10.9302 -107.614 37.1759 GPRESSURE: 4687400 6.81891 139.473 -87.4537 54.561 83.1421 -93.233 -111.187 -97.9782 -32.9533 PRESSAVG: 4687400 44.0603 20.4504 -13.1804 20.4503 -65.1973 65.1124 -13.1805 65.1124 -22.9708 GPRESSAVG: 4687400 43.9649 18.7091 -12.3748 21.0189 -64.8893 63.647 -13.8796 66.6462 -23.2025 TIMING: 4687400 CPU: 14637.7, 0.00311913/step Wall: 14637.7, 0.00311913/step, 0.270845 hours remaining, 236.507812 MB of memory in use. ENERGY: 4687400 3965.1852 20325.3976 14399.5087 222.5663 -203167.0373 2681.6173 0.0000 0.0000 51934.6885 -109638.0737 298.4694 -161572.7622 -109272.6973 298.5384 -13.6411 19.0026 763024.1584 -14.7026 -14.7090 PRESSURE: 4687600 -279.61 -169.097 -62.8518 -169.098 241.303 -20.6968 -62.851 -20.697 87.3568 GPRESSURE: 4687600 -155.591 -177.625 -110.309 -99.5765 144.337 -33.3244 -140.893 42.1675 137.106 PRESSAVG: 4687600 -48.0504 3.23776 -64.0177 3.23771 32.6812 -49.0232 -64.0177 -49.0232 -4.11411 GPRESSAVG: 4687600 -46.3083 3.0558 -63.3581 3.07707 31.2625 -47.1434 -63.6806 -49.4668 -4.07125 TIMING: 4687600 CPU: 14638.4, 0.00312839/step Wall: 14638.4, 0.00312839/step, 0.271475 hours remaining, 236.507812 MB of memory in use. ENERGY: 4687600 3845.3405 20255.9555 14509.2098 239.9028 -203148.2503 2727.7502 0.0000 0.0000 51876.3551 -109693.7364 298.1341 -161570.0916 -109326.9067 297.7896 16.3501 41.9505 762249.1053 -6.4944 -6.3723 PRESSURE: 4687800 431.003 41.3041 24.4773 41.3054 -324.7 105.736 24.4779 105.736 106.359 GPRESSURE: 4687800 397.334 128.75 159.572 41.5024 -222.384 85.0666 67.1172 -1.71621 92.0682 PRESSAVG: 4687800 -52.4261 43.4462 -29.7466 43.4463 41.4141 -57.5459 -29.7466 -57.5459 12.4112 GPRESSAVG: 4687800 -53.1111 44.8039 -29.5683 42.947 42.0259 -58.1664 -30.8902 -57.5249 12.6933 TIMING: 4687800 CPU: 14639, 0.00311903/step Wall: 14639, 0.00311903/step, 0.270489 hours remaining, 236.507812 MB of memory in use. ENERGY: 4687800 3983.3143 20394.5117 14476.0251 230.2042 -203632.8554 2866.7038 0.0000 0.0000 51856.6270 -109825.4692 298.0207 -161682.0962 -109477.0818 297.7058 70.8872 89.0059 762555.9130 0.4664 0.5360 PRESSURE: 4688000 -52.1654 165.457 -111.712 165.457 227.505 149.087 -111.713 149.087 212.912 GPRESSURE: 4688000 31.3344 16.4571 -76.5487 137.431 198.671 170.802 -282.455 190.015 212.948 PRESSAVG: 4688000 -6.85303 38.5692 20.5183 38.5692 -9.734 14.2622 20.5183 14.2621 11.9395 GPRESSAVG: 4688000 -7.26264 36.7945 19.7794 40.3423 -10.2344 14.4699 18.6986 14.6157 12.9952 TIMING: 4688000 CPU: 14639.6, 0.00310973/step Wall: 14639.6, 0.00310973/step, 0.26951 hours remaining, 236.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4688000 4021.0687 20496.4140 14442.2084 242.2367 -203722.0919 2817.4718 0.0000 0.0000 51867.2394 -109835.4530 298.0817 -161702.6924 -109481.6897 297.7089 129.4172 147.6513 761648.3221 -1.5492 -1.5006 PRESSURE: 4688200 -255.157 200.626 51.969 200.627 -279.509 -292.704 51.968 -292.704 -297.7 GPRESSURE: 4688200 -227.638 233.492 33.6647 176.933 -284.73 -255.025 136.513 -299.064 -235.696 PRESSAVG: 4688200 -42.171 19.8049 36.7962 19.805 2.86323 41.9464 36.7962 41.9464 -29.0421 GPRESSAVG: 4688200 -41.6726 20.1347 37.0605 18.9781 2.72963 41.813 38.8477 41.3286 -29.1973 TIMING: 4688200 CPU: 14640.2, 0.00311653/step Wall: 14640.2, 0.00311653/step, 0.269926 hours remaining, 236.507812 MB of memory in use. ENERGY: 4688200 3995.6481 20373.1183 14461.6579 240.9207 -203649.6256 2851.3132 0.0000 0.0000 52019.9100 -109707.0574 298.9591 -161726.9675 -109338.9572 297.5553 -277.4552 -249.3544 761819.6172 -22.7833 -22.7134 LDB: ============= START OF LOAD BALANCING ============== 14652.7 LDB: ============== END OF LOAD BALANCING =============== 14652.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14652.7 LDB: ============= START OF LOAD BALANCING ============== 14653 LDB: Largest compute 7077 load 0.031652 is 16.2% of average load 0.195388 LDB: Average compute 0.004393 is 2.2% of average load 0.195388 LDB: TIME 14653 LOAD: AVG 0.195388 MAX 0.21449 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.59 MB LDB: TIME 14653 LOAD: AVG 0.195388 MAX 0.21449 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.793 MB LDB: TIME 14653 LOAD: AVG 0.195388 MAX 0.21449 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.793 MB LDB: ============== END OF LOAD BALANCING =============== 14653 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14653 PRESSURE: 4688400 -101.631 40.1979 -27.7432 40.1973 -45.3509 57.7228 -27.7443 57.7227 -64.9024 GPRESSURE: 4688400 -28.524 -27.4465 -105.729 101.174 1.91489 45.285 -81.9608 106.389 -86.6898 PRESSAVG: 4688400 4.24158 37.0847 8.99869 37.0847 18.3304 31.3477 8.99869 31.3477 11.6662 GPRESSAVG: 4688400 2.30663 38.6716 9.37414 36.7735 20.2563 32.0698 7.07033 31.6085 11.4605 TIMING: 4688400 CPU: 14640.9, 0.0031926/step Wall: 14640.9, 0.0031926/step, 0.276337 hours remaining, 235.031250 MB of memory in use. ENERGY: 4688400 3979.2989 20483.0812 14528.1703 245.3676 -203291.4489 2582.0021 0.0000 0.0000 51815.5819 -109657.9469 297.7849 -161473.5288 -109297.1227 298.5123 -70.6281 -37.7663 762024.9980 11.4127 11.3411 PRESSURE: 4688600 55.2244 84.9766 -210.564 84.9756 -178.875 62.402 -210.564 62.4022 -168.879 GPRESSURE: 4688600 111.436 76.5626 -149.704 119.453 -134.721 46.9147 -112.979 82.5041 -212.769 PRESSAVG: 4688600 6.85397 -20.7879 18.7212 -20.7879 -19.8874 79.7542 18.7212 79.7543 11.6039 GPRESSAVG: 4688600 8.7662 -23.1887 17.7986 -20.1753 -21.2646 79.9728 20.0073 80.6803 11.4294 TIMING: 4688600 CPU: 14641.5, 0.00311851/step Wall: 14641.5, 0.00311851/step, 0.269751 hours remaining, 235.031250 MB of memory in use. ENERGY: 4688600 3969.0425 20361.8603 14505.9785 246.3606 -203356.2380 2607.3260 0.0000 0.0000 52239.8270 -109425.8431 300.2230 -161665.6701 -109056.9822 298.9956 -97.5098 -78.6845 761830.2987 -0.4765 -0.3563 PRESSURE: 4688800 503.804 -59.5192 -75.288 -59.5189 333.612 134.529 -75.2869 134.53 17.6525 GPRESSURE: 4688800 561.642 128.176 -43.3926 -65.1882 228.581 140.41 -45.9413 58.4844 130.535 PRESSAVG: 4688800 26.9773 -28.5934 -39.0491 -28.5934 -31.0045 59.5964 -39.0491 59.5964 5.35551 GPRESSAVG: 4688800 26.4587 -26.426 -38.7219 -30.0099 -29.5963 60.2417 -38.6163 58.0221 4.78853 TIMING: 4688800 CPU: 14642.1, 0.00309253/step Wall: 14642.1, 0.00309253/step, 0.267332 hours remaining, 235.031250 MB of memory in use. ENERGY: 4688800 4029.0761 20501.9498 14437.3452 256.9487 -203714.8783 3101.1445 0.0000 0.0000 51870.8253 -109517.5886 298.1023 -161388.4139 -109157.2306 298.9684 285.0229 306.9196 761602.4627 0.4428 0.5503 PRESSURE: 4689000 356.213 -68.3622 -351.742 -68.3623 0.323553 59.4702 -351.742 59.4694 -69.0792 GPRESSURE: 4689000 356.157 -145.26 -332.539 -68.8159 -17.8688 121.466 -410.337 -2.98129 22.3938 PRESSAVG: 4689000 10.9011 -1.82361 -98.677 -1.82358 -11.2964 -6.74849 -98.677 -6.74857 17.0106 GPRESSAVG: 4689000 10.7212 -3.7141 -99.201 0.64383 -11.2246 -9.43962 -98.2806 -6.80373 17.4275 TIMING: 4689000 CPU: 14642.7, 0.00310552/step Wall: 14642.7, 0.00310552/step, 0.268282 hours remaining, 235.031250 MB of memory in use. ENERGY: 4689000 3970.5858 20453.0006 14477.6314 268.0603 -203401.5676 2718.5933 0.0000 0.0000 52000.2208 -109513.4755 298.8460 -161513.6962 -109158.1088 298.5317 95.8192 120.2273 762151.6349 5.5384 5.6414 PRESSURE: 4689200 309.362 44.4329 89.312 44.4329 103.298 25.179 89.3111 25.1784 -168.299 GPRESSURE: 4689200 341.18 -22.0153 118.378 50.696 117.894 -72.6917 -15.367 73.1376 -124.212 PRESSAVG: 4689200 59.4239 -19.3193 6.52901 -19.3194 -53.577 -14.7425 6.52897 -14.7426 -16.0639 GPRESSAVG: 4689200 59.2829 -18.2795 5.84082 -20.4358 -53.2038 -12.6724 6.99734 -14.8977 -15.8049 TIMING: 4689200 CPU: 14643.3, 0.00309175/step Wall: 14643.3, 0.00309175/step, 0.266921 hours remaining, 235.031250 MB of memory in use. ENERGY: 4689200 3924.0860 20408.7991 14471.6071 255.9503 -203581.6705 2998.2393 0.0000 0.0000 51888.8032 -109634.1856 298.2057 -161522.9887 -109271.0250 298.6912 81.4536 111.6206 761172.7182 -3.4057 -3.2419 PRESSURE: 4689400 -100.407 141.118 205.168 141.118 208.313 -41.7336 205.167 -41.733 -176.006 GPRESSURE: 4689400 -32.5339 33.432 217.702 132.248 209.576 28.596 135.014 26.1792 -163.473 PRESSAVG: 4689400 54.171 -0.259407 24.5833 -0.259459 -58.0349 -14.7966 24.5833 -14.7965 5.86526 GPRESSAVG: 4689400 54.3099 -0.399774 24.8105 -0.360351 -57.8932 -14.2616 22.6981 -15.0197 5.77011 TIMING: 4689400 CPU: 14644, 0.00310747/step Wall: 14644, 0.00310747/step, 0.268106 hours remaining, 235.031250 MB of memory in use. ENERGY: 4689400 4050.3261 20574.3243 14447.0083 237.5592 -203652.5517 2895.0161 0.0000 0.0000 51903.3129 -109545.0047 298.2891 -161448.3176 -109176.1323 298.9745 -22.7001 4.5230 762364.7197 0.6671 0.7289 PRESSURE: 4689600 -277.386 105.165 48.7338 105.165 -106.523 -234.295 48.7332 -234.295 -288.823 GPRESSURE: 4689600 -277.631 58.9443 91.7471 47.7292 -44.407 -234.045 130.214 -231.268 -259.05 PRESSAVG: 4689600 14.7085 41.6797 -48.5944 41.6797 -26.0088 -19.0418 -48.5944 -19.0418 6.33699 GPRESSAVG: 4689600 15.8291 42.4714 -47.0555 42.1815 -26.2826 -18.5787 -50.1377 -17.7471 5.25203 TIMING: 4689600 CPU: 14644.6, 0.00310068/step Wall: 14644.6, 0.00310068/step, 0.267348 hours remaining, 235.097656 MB of memory in use. ENERGY: 4689600 4028.7956 20429.3881 14425.5984 246.0487 -203269.6704 2576.2413 0.0000 0.0000 51818.8984 -109744.7000 297.8039 -161563.5984 -109390.4624 298.4287 -224.2441 -193.6960 762994.3848 -1.6544 -1.7338 PRESSURE: 4689800 318.549 -183.143 -257.993 -183.143 309.878 -127.083 -257.993 -127.083 91.1295 GPRESSURE: 4689800 279.397 -186.993 -170.272 -108.088 399.362 -100.752 -374.347 -110.32 145.123 PRESSAVG: 4689800 -37.7571 13.6134 0.660343 13.6133 30.0915 38.9384 0.660369 38.9384 -10.2325 GPRESSAVG: 4689800 -38.8751 13.5057 -0.403172 15.8011 30.8247 37.2083 2.83561 38.9345 -10.189 TIMING: 4689800 CPU: 14645.2, 0.00312136/step Wall: 14645.2, 0.00312136/step, 0.268957 hours remaining, 235.097656 MB of memory in use. ENERGY: 4689800 3973.7883 20363.5284 14445.9735 235.8419 -203546.2030 3013.7760 0.0000 0.0000 51751.1609 -109762.1339 297.4146 -161513.2949 -109398.5936 297.9909 239.8522 274.6275 760992.4367 -5.9660 -6.0798 PRESSURE: 4690000 -223.13 158.283 -226.25 158.283 -215.912 -153.293 -226.251 -153.292 -12.6224 GPRESSURE: 4690000 -204.515 108.181 -209.534 54.7225 -201.047 -157.182 -59.2361 -150.004 44.6653 PRESSAVG: 4690000 -16.0358 -11.8241 6.32205 -11.8241 28.9572 -20.0083 6.322 -20.0083 -15.9483 GPRESSAVG: 4690000 -16.3015 -13.7181 7.07766 -14.2664 27.9737 -18.9144 7.89886 -21.2791 -14.5265 TIMING: 4690000 CPU: 14645.8, 0.00312837/step Wall: 14645.8, 0.00312837/step, 0.269388 hours remaining, 235.097656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4690000 4041.2543 20573.7472 14437.0053 246.3210 -203494.2223 2613.9309 0.0000 0.0000 52014.2581 -109567.7055 298.9267 -161581.9635 -109216.2611 297.7707 -150.5547 -120.2988 762203.8574 -1.0090 -0.9515 PRESSURE: 4690200 -391.175 87.2765 3.42533 87.2764 -374.818 -98.2636 3.4253 -98.2646 201.952 GPRESSURE: 4690200 -307.799 119.549 -18.7999 18.8772 -325.721 -154.588 20.7543 -170.768 153.819 PRESSAVG: 4690200 -16.5028 29.92 3.79497 29.92 50.4185 65.6788 3.79494 65.6789 -4.21786 GPRESSAVG: 4690200 -16.6709 29.7164 4.49512 31.5294 51.1422 65.8516 -0.563469 64.9608 -4.67169 TIMING: 4690200 CPU: 14646.5, 0.00311644/step Wall: 14646.5, 0.00311644/step, 0.268187 hours remaining, 235.097656 MB of memory in use. ENERGY: 4690200 4049.2792 20638.6029 14437.1570 226.3731 -202992.3646 2415.6312 0.0000 0.0000 51589.0096 -109636.3117 296.4827 -161225.3212 -109285.6396 298.3393 -188.0139 -159.9004 762196.2796 9.8993 9.9332 PRESSURE: 4690400 85.3847 143.081 -224.755 143.082 -68.3145 59.6077 -224.754 59.6075 298.036 GPRESSURE: 4690400 171.983 67.0727 -240.18 115.048 -77.5251 80.0297 -40.0686 38.8407 288.569 PRESSAVG: 4690400 -21.2583 24.4458 -11.753 24.4458 23.7655 -31.605 -11.753 -31.605 22.1858 GPRESSAVG: 4690400 -20.9174 26.0395 -14.4028 22.636 24.0047 -33.0017 -8.78146 -29.6741 22.332 TIMING: 4690400 CPU: 14647.1, 0.00313136/step Wall: 14647.1, 0.00313136/step, 0.269297 hours remaining, 235.097656 MB of memory in use. ENERGY: 4690400 3930.2449 20380.3384 14431.8672 265.4664 -203829.2667 3021.3773 0.0000 0.0000 52047.6636 -109752.3089 299.1186 -161799.9725 -109386.0727 298.5053 105.0354 127.6755 761348.7256 8.2310 8.4731 PRESSURE: 4690600 -110.736 198.391 170.545 198.391 217.672 1.29347 170.545 1.29438 -328.84 GPRESSURE: 4690600 -142.702 56.2206 62.683 230.997 259.051 18.3675 54.726 24.476 -248.56 PRESSAVG: 4690600 -26.0604 -1.95627 -35.8087 -1.95626 25.291 -9.03508 -35.8086 -9.03505 13.0343 GPRESSAVG: 4690600 -25.8538 -3.26855 -33.6264 -2.37741 24.4869 -7.87001 -38.476 -8.08963 13.108 TIMING: 4690600 CPU: 14647.7, 0.0031244/step Wall: 14647.7, 0.0031244/step, 0.268525 hours remaining, 235.097656 MB of memory in use. ENERGY: 4690600 4008.4692 20366.2402 14435.7815 242.4428 -203262.4380 2754.7138 0.0000 0.0000 51946.0561 -109508.7345 298.5347 -161454.7905 -109139.7723 298.7442 -73.9677 -44.0702 762964.2957 4.0883 3.9137 PRESSURE: 4690800 77.1414 159.375 203.083 159.375 -70.0299 -86.9293 203.082 -86.9295 75.4024 GPRESSURE: 4690800 104.874 169.684 263.677 76.9468 -59.6044 -153.308 219.761 23.4398 118.212 PRESSAVG: 4690800 -33.5855 28.099 53.7703 28.099 41.174 -5.40098 53.7702 -5.40101 -23.1391 GPRESSAVG: 4690800 -32.9536 29.4358 51.9368 28.5296 40.7025 -5.43435 55.0724 -5.72933 -23.4468 TIMING: 4690800 CPU: 14648.3, 0.00314195/step Wall: 14648.3, 0.00314195/step, 0.269859 hours remaining, 235.097656 MB of memory in use. ENERGY: 4690800 3953.4259 20380.7515 14523.4274 251.6350 -203471.4360 2810.0223 0.0000 0.0000 51936.1956 -109615.9783 298.4780 -161552.1739 -109258.4031 298.5083 27.5046 54.4937 760009.6228 -5.1835 -5.2326 PRESSURE: 4691000 32.9646 123.377 24.9211 123.377 124.125 -91.2527 24.9208 -91.2521 134.819 GPRESSURE: 4691000 82.6904 300.502 65.6803 219.058 133.252 -181.71 148.342 16.1468 157.584 PRESSAVG: 4691000 22.634 34.2133 65.2854 34.2134 -35.8915 -30.3405 65.2855 -30.3405 14.1052 GPRESSAVG: 4691000 22.4886 34.8788 67.3217 35.0098 -35.334 -31.4313 66.687 -31.6734 13.8725 TIMING: 4691000 CPU: 14649, 0.0031296/step Wall: 14649, 0.0031296/step, 0.268624 hours remaining, 235.097656 MB of memory in use. ENERGY: 4691000 3924.0056 20310.4053 14453.2289 249.9132 -203530.4971 2855.5486 0.0000 0.0000 51927.4911 -109809.9043 298.4280 -161737.3954 -109447.0004 298.4526 97.3027 124.5090 761298.1288 0.2826 0.3424 PRESSURE: 4691200 213.197 -142.502 113.764 -142.503 93.2294 -169.591 113.763 -169.592 320.832 GPRESSURE: 4691200 243.538 -244.901 48.2044 -157.739 170.946 -203.634 -3.62166 -108.794 315.973 PRESSAVG: 4691200 22.6741 14.6585 -12.8679 14.6585 -5.06356 -8.88496 -12.8679 -8.885 11.2455 GPRESSAVG: 4691200 22.3472 11.7661 -12.2974 16.6713 -4.89275 -8.00639 -14.514 -8.55731 11.9397 TIMING: 4691200 CPU: 14649.6, 0.00313906/step Wall: 14649.6, 0.00313906/step, 0.269262 hours remaining, 235.085938 MB of memory in use. ENERGY: 4691200 3913.4984 20393.4765 14521.2850 238.0065 -203569.8347 2659.6548 0.0000 0.0000 51811.6912 -110032.2223 297.7625 -161843.9135 -109669.8526 297.5617 209.0861 243.4854 760151.3846 9.6187 9.7981 PRESSURE: 4691400 40.864 -87.0314 37.2714 -87.0324 -374.387 31.3696 37.2713 31.3709 -305.418 GPRESSURE: 4691400 -0.292706 67.7988 39.2354 -145.392 -273.951 9.46565 11.4428 -80.7727 -295.537 PRESSAVG: 4691400 -1.59516 -29.0625 66.8019 -29.0625 11.1381 7.13248 66.8019 7.13244 -3.64646 GPRESSAVG: 4691400 -1.63409 -28.292 64.302 -29.5016 11.4874 6.00613 67.0487 5.77641 -4.35871 TIMING: 4691400 CPU: 14650.2, 0.00311328/step Wall: 14650.2, 0.00311328/step, 0.266877 hours remaining, 235.097656 MB of memory in use. ENERGY: 4691400 3956.9895 20378.1459 14448.8916 243.9790 -203011.8778 2249.9629 0.0000 0.0000 51942.6051 -109791.3038 298.5149 -161733.9089 -109424.6660 297.7937 -212.9803 -189.9272 762599.7438 1.9655 1.8315 PRESSURE: 4691600 -376.431 56.2047 70.949 56.2058 -62.4874 66.6142 70.9497 66.6137 -76.425 GPRESSURE: 4691600 -318.017 14.9816 -33.7203 131.502 16.8431 14.9809 38.6033 274.794 -100.587 PRESSAVG: 4691600 27.9285 14.6809 6.09063 14.6809 24.9287 -0.776804 6.09067 -0.776756 -8.24214 GPRESSAVG: 4691600 27.3851 15.2948 6.77898 14.4745 25.0689 -0.0788702 6.85858 -0.259413 -7.46666 TIMING: 4691600 CPU: 14650.8, 0.00313604/step Wall: 14650.8, 0.00313604/step, 0.268654 hours remaining, 235.097656 MB of memory in use. ENERGY: 4691600 3984.0731 20367.2850 14415.2884 243.5865 -202800.4952 2372.8675 0.0000 0.0000 51924.7640 -109492.6307 298.4123 -161417.3947 -109124.5360 298.2681 -171.7812 -133.9202 763326.8321 14.8717 14.9958 PRESSURE: 4691800 -129.346 85.6405 -37.8722 85.6415 45.8126 -177.583 -37.8718 -177.584 -83.6825 GPRESSURE: 4691800 -139.39 134.953 21.9757 26.5173 61.6929 -53.4599 -2.33492 -130.498 -13.1894 PRESSAVG: 4691800 -58.968 -22.7001 -30.4839 -22.7001 68.7046 -29.9972 -30.4839 -29.9972 0.106986 GPRESSAVG: 4691800 -58.2995 -22.1835 -29.0199 -24.8193 67.6414 -30.5869 -28.4712 -30.3524 0.289405 TIMING: 4691800 CPU: 14651.5, 0.00311767/step Wall: 14651.5, 0.00311767/step, 0.266907 hours remaining, 235.097656 MB of memory in use. ENERGY: 4691800 3975.9434 20409.2650 14485.1130 249.6872 -203385.7025 2625.1317 0.0000 0.0000 52283.2764 -109357.2860 300.4727 -161640.5624 -108988.3564 298.7465 -55.7385 -30.2954 763185.5875 3.2812 3.2104 PRESSURE: 4692000 -530.511 -1.89601 58.8068 -1.89675 -251.534 83.4407 58.8066 83.4409 7.42847 GPRESSURE: 4692000 -454.708 49.7825 20.9137 -32.8328 -195.539 91.1227 -38.3686 54.3414 -42.4323 PRESSAVG: 4692000 -40.4811 2.99467 3.06877 2.99467 32.3511 12.0614 3.06872 12.0613 -17.8621 GPRESSAVG: 4692000 -41.3497 1.39403 3.32322 4.09408 34.0231 12.1831 0.314915 12.1627 -18.4132 TIMING: 4692000 CPU: 14652.1, 0.00310948/step Wall: 14652.1, 0.00310948/step, 0.266033 hours remaining, 235.085938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4692000 3936.8559 20548.2137 14489.2883 241.9849 -203680.2413 2738.8367 0.0000 0.0000 52364.1825 -109360.8793 300.9377 -161725.0618 -108995.3255 299.3318 -258.2056 -230.8929 762260.1339 -8.6640 -8.5799 PRESSURE: 4692200 252.672 -32.3432 -29.8745 -32.343 -283.949 -32.0037 -29.8739 -32.004 -371.628 GPRESSURE: 4692200 233.349 -83.6954 -42.3211 69.6214 -183.561 39.9262 -26.6662 -223.128 -372.171 PRESSAVG: 4692200 17.2978 -1.63592 -40.9771 -1.63596 -13.0644 49.0693 -40.9771 49.0693 6.24955 GPRESSAVG: 4692200 18.0811 -2.0582 -41.9974 0.868253 -14.0245 49.1876 -41.5089 47.6396 6.70469 TIMING: 4692200 CPU: 14652.7, 0.00313393/step Wall: 14652.7, 0.00313393/step, 0.267951 hours remaining, 235.085938 MB of memory in use. ENERGY: 4692200 4010.7317 20636.5411 14450.9149 243.3967 -203237.1333 2484.8225 0.0000 0.0000 51964.9303 -109445.7962 298.6432 -161410.7264 -109085.2521 298.9578 -134.3016 -107.4609 761407.4812 3.4943 3.5871 LDB: ============= START OF LOAD BALANCING ============== 14665.2 LDB: ============== END OF LOAD BALANCING =============== 14665.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14665.2 LDB: ============= START OF LOAD BALANCING ============== 14665.5 LDB: Largest compute 7060 load 0.032360 is 16.6% of average load 0.195318 LDB: Average compute 0.004398 is 2.3% of average load 0.195318 LDB: TIME 14665.5 LOAD: AVG 0.195318 MAX 0.21831 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.547 MB LDB: TIME 14665.5 LOAD: AVG 0.195318 MAX 0.21831 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.551 MB LDB: TIME 14665.5 LOAD: AVG 0.195318 MAX 0.21595 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.551 MB LDB: ============== END OF LOAD BALANCING =============== 14665.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14665.5 PRESSURE: 4692400 66.9428 117.654 -179.221 117.654 332.653 -52.6717 -179.221 -52.6716 164.162 GPRESSURE: 4692400 210.542 100.919 -131.063 213.057 330.678 11.892 -72.0197 3.74338 120.46 PRESSAVG: 4692400 -11.3424 8.67689 23.7324 8.67692 12.5719 51.7536 23.7323 51.7536 12.5219 GPRESSAVG: 4692400 -11.306 8.2322 24.8075 7.79315 13.1611 50.8384 26.5002 52.6508 12.2291 TIMING: 4692400 CPU: 14653.4, 0.00320428/step Wall: 14653.4, 0.00320428/step, 0.273788 hours remaining, 235.859375 MB of memory in use. ENERGY: 4692400 3929.7898 20513.5693 14419.8644 224.6283 -203592.1717 2872.7410 0.0000 0.0000 52052.0472 -109579.5317 299.1438 -161631.5789 -109215.9941 298.5165 187.9190 220.5602 761385.8422 4.5838 4.6947 PRESSURE: 4692600 -476.405 -114.326 101.243 -114.326 -52.6102 -23.6719 101.243 -23.671 414.633 GPRESSURE: 4692600 -341.958 -67.6276 140.167 -53.3135 -57.2649 38.6832 73.7666 45.1961 348.996 PRESSAVG: 4692600 -6.27099 42.2061 -34.8236 42.2062 28.6376 -19.5962 -34.8237 -19.5961 12.7803 GPRESSAVG: 4692600 -5.01384 44.761 -36.3964 40.9244 28.5522 -17.5428 -38.2687 -19.3741 11.9002 TIMING: 4692600 CPU: 14654, 0.00313334/step Wall: 14654, 0.00313334/step, 0.267552 hours remaining, 236.062500 MB of memory in use. ENERGY: 4692600 4032.8225 20481.7687 14520.7408 269.8753 -203293.7832 2574.3213 0.0000 0.0000 51790.3265 -109623.9280 297.6397 -161414.2545 -109273.1271 298.8320 -38.1276 -16.7423 760501.7838 11.7156 11.8128 PRESSURE: 4692800 -331.495 -60.2718 19.5304 -60.2724 -166.097 30.7776 19.53 30.7775 24.043 GPRESSURE: 4692800 -275.747 24.3407 15.3353 -24.4469 -183.355 69.3941 -68.729 178.369 73.2355 PRESSAVG: 4692800 -47.3047 -25.9676 17.9723 -25.9676 37.1281 -19.1814 17.9723 -19.1814 12.9446 GPRESSAVG: 4692800 -49.2666 -27.2342 17.5781 -25.6987 37.5504 -19.4517 18.7042 -19.7172 13.8898 TIMING: 4692800 CPU: 14654.6, 0.00313227/step Wall: 14654.6, 0.00313227/step, 0.267287 hours remaining, 236.062500 MB of memory in use. ENERGY: 4692800 4106.1948 20559.4605 14403.2414 219.0047 -203254.0123 2415.7251 0.0000 0.0000 51949.4088 -109600.9769 298.5540 -161550.3857 -109252.3150 298.7221 -157.8497 -128.6224 762790.1936 0.9227 0.7245 PRESSURE: 4693000 157.525 61.2698 115.954 61.2693 -129.222 -47.4498 115.955 -47.4494 -296.357 GPRESSURE: 4693000 146.428 110.024 99.2009 -22.1475 -49.8301 -69.736 59.4967 -25.7471 -267.98 PRESSAVG: 4693000 -2.602 -32.7093 17.3207 -32.7093 -0.0735607 -14.3542 17.3207 -14.3542 20.3865 GPRESSAVG: 4693000 -1.90926 -32.8452 17.6488 -33.354 -0.706154 -15.3974 16.3862 -14.2245 20.486 TIMING: 4693000 CPU: 14655.2, 0.00311751/step Wall: 14655.2, 0.0031175/step, 0.265854 hours remaining, 236.062500 MB of memory in use. ENERGY: 4693000 4006.9734 20401.9947 14361.6039 238.9985 -203353.5449 2833.0995 0.0000 0.0000 51969.5160 -109541.3589 298.6695 -161510.8749 -109185.0079 298.3326 -89.3511 -57.1272 761522.1343 5.9036 5.9569 PRESSURE: 4693200 -278.007 213.329 76.7161 213.329 -217.652 -18.5927 76.7147 -18.5921 -277.074 GPRESSURE: 4693200 -239.202 166.508 104.195 273.681 -210.674 -105.589 -73.4845 -31.7781 -244.198 PRESSAVG: 4693200 -31.2244 3.55232 59.5918 3.55231 76.3102 -6.08929 59.5918 -6.0893 0.129864 GPRESSAVG: 4693200 -30.0426 5.36092 59.7132 3.02171 76.2627 -5.24355 60.8354 -6.1938 -1.24739 TIMING: 4693200 CPU: 14655.9, 0.00311878/step Wall: 14655.9, 0.00311878/step, 0.26579 hours remaining, 236.062500 MB of memory in use. ENERGY: 4693200 4083.9280 20358.6728 14453.4274 232.5674 -203179.1969 2554.2184 0.0000 0.0000 51915.7338 -109580.6491 298.3604 -161496.3829 -109207.5006 298.1701 -257.5778 -231.3579 763038.4075 15.0719 14.9909 PRESSURE: 4693400 72.8672 -171.512 -95.5262 -171.511 171.135 -94.0503 -95.5256 -94.0496 275.897 GPRESSURE: 4693400 111.28 -192.172 -98.2741 -199.889 201.937 -76.2271 -173.853 -146.124 305.566 PRESSAVG: 4693400 15.1028 -11.1923 18.366 -11.1923 2.25189 48.4421 18.366 48.4421 25.6485 GPRESSAVG: 4693400 13.0744 -12.73 18.43 -11.2282 3.26366 48.6686 19.3762 50.1916 26.5718 TIMING: 4693400 CPU: 14656.5, 0.00313225/step Wall: 14656.5, 0.00313225/step, 0.266764 hours remaining, 236.062500 MB of memory in use. ENERGY: 4693400 3941.2386 20334.4785 14446.1022 241.3080 -203653.4161 2835.9635 0.0000 0.0000 52046.4979 -109807.8275 299.1119 -161854.3254 -109438.0377 298.5884 173.2999 206.2613 760855.8077 14.3344 14.3033 PRESSURE: 4693600 -153.844 -236.792 31.7499 -236.792 245.551 175.376 31.7496 175.375 339.476 GPRESSURE: 4693600 -163.102 -162.543 77.4824 -143.139 268.237 278.106 49.4804 84.2091 397.298 PRESSAVG: 4693600 12.5624 -72.6563 1.34744 -72.6563 -13.4779 8.65504 1.34743 8.65501 5.70294 GPRESSAVG: 4693600 13.882 -72.5655 2.17377 -72.298 -13.9501 7.64701 -0.751346 8.66217 5.49773 TIMING: 4693600 CPU: 14657.1, 0.00312841/step Wall: 14657.1, 0.00312841/step, 0.266262 hours remaining, 236.062500 MB of memory in use. ENERGY: 4693600 3964.9507 20512.9627 14423.7130 253.4357 -203442.7443 2621.0021 0.0000 0.0000 51923.6706 -109743.0095 298.4060 -161666.6801 -109383.4437 298.6073 143.7278 167.4777 762274.9037 1.5958 1.8099 PRESSURE: 4693800 3.83688 -102.651 -187.016 -102.65 363.83 53.8474 -187.016 53.847 469.382 GPRESSURE: 4693800 71.8485 -18.0506 -188.604 -36.7398 415.337 30.0728 -88.9032 67.1221 431.25 PRESSAVG: 4693800 -5.02687 -38.0142 -18.9523 -38.0142 32.7935 26.0521 -18.9524 26.052 8.84853 GPRESSAVG: 4693800 -5.41247 -36.6398 -19.4163 -37.8734 32.7925 26.3659 -18.298 24.6711 9.64817 TIMING: 4693800 CPU: 14657.7, 0.0031382/step Wall: 14657.7, 0.0031382/step, 0.266921 hours remaining, 236.062500 MB of memory in use. ENERGY: 4693800 3986.4384 20421.9625 14419.3226 248.2944 -203341.2991 2654.0464 0.0000 0.0000 52097.0783 -109514.1565 299.4026 -161611.2348 -109153.4449 298.3714 279.0161 306.1451 760810.7046 12.2051 12.3427 PRESSURE: 4694000 -71.974 -148.493 -141.053 -148.493 -188.411 253.512 -141.054 253.512 -549.234 GPRESSURE: 4694000 -78.098 -281.078 -154.893 -211.569 -135.527 265.261 -77.6187 76.8323 -503.153 PRESSAVG: 4694000 -11.2139 -22.3329 0.0984212 -22.3329 -8.17839 20.4086 0.0983962 20.4087 -42.1221 GPRESSAVG: 4694000 -10.7401 -24.6854 0.120786 -23.4851 -7.7839 19.3847 0.928939 21.5867 -42.8231 TIMING: 4694000 CPU: 14658.4, 0.00312961/step Wall: 14658.4, 0.00312961/step, 0.266017 hours remaining, 236.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4694000 3997.0996 20530.0262 14421.4981 251.0322 -203104.1759 2611.4634 0.0000 0.0000 51774.5286 -109518.5278 297.5489 -161293.0564 -109161.1749 298.9008 -269.8731 -238.9261 762396.7487 -20.5048 -20.4490 PRESSURE: 4694200 -235.95 -23.7162 -194.921 -23.7156 -309.052 153.537 -194.921 153.537 -113.363 GPRESSURE: 4694200 -125.887 -46.7058 -113.665 -128.207 -384.386 193.454 -309.451 116.09 -67.5192 PRESSAVG: 4694200 10.4418 -51.1833 44.0625 -51.1834 2.56708 -17.9287 44.0626 -17.9287 30.0232 GPRESSAVG: 4694200 9.81226 -51.3137 43.4531 -51.2668 2.00416 -17.8471 44.8174 -20.1715 31.2555 TIMING: 4694200 CPU: 14659, 0.00311159/step Wall: 14659, 0.00311159/step, 0.264312 hours remaining, 236.062500 MB of memory in use. ENERGY: 4694200 3985.7371 20503.2506 14368.0535 240.8853 -202969.4966 2374.8896 0.0000 0.0000 52111.4660 -109385.2145 299.4853 -161496.6805 -109019.1197 299.0777 -219.4551 -192.5972 762563.1542 14.3440 14.3573 PRESSURE: 4694400 -286.335 -52.8035 -112.976 -52.8041 -190.928 5.83051 -112.976 5.82999 181.982 GPRESSURE: 4694400 -192.335 -112.15 -26.5392 -76.3119 -92.9131 -12.7536 -124.671 77.9239 77.5983 PRESSAVG: 4694400 37.7426 -26.6903 51.1545 -26.6903 -69.4654 -23.041 51.1545 -23.041 15.6363 GPRESSAVG: 4694400 38.853 -26.4426 50.2206 -27.9439 -69.2857 -22.1323 50.8787 -21.8068 14.1653 TIMING: 4694400 CPU: 14659.6, 0.00312423/step Wall: 14659.6, 0.00312423/step, 0.265212 hours remaining, 236.062500 MB of memory in use. ENERGY: 4694400 3960.2616 20591.6577 14428.6714 252.2195 -202888.3090 2357.3436 0.0000 0.0000 51928.7990 -109369.3562 298.4355 -161298.1552 -109003.9210 299.4940 -98.4269 -69.2168 761313.7295 -5.3622 -5.4224 PRESSURE: 4694600 -321.145 -110.51 -41.8866 -110.509 -106.059 -124.859 -41.8866 -124.858 -309.632 GPRESSURE: 4694600 -305.628 -53.4504 -107.361 -85.4103 -61.8988 -106.629 116.783 -304.751 -280.642 PRESSAVG: 4694600 33.9862 -64.9976 2.8667 -64.9977 -7.73062 -26.6167 2.86662 -26.6166 11.8332 GPRESSAVG: 4694600 33.8097 -66.0524 2.67005 -62.6559 -8.3247 -28.2624 2.83058 -25.9942 12.3266 TIMING: 4694600 CPU: 14660.2, 0.0031144/step Wall: 14660.2, 0.0031144/step, 0.264205 hours remaining, 236.062500 MB of memory in use. ENERGY: 4694600 4032.2491 20463.4034 14416.5224 241.2237 -202476.6811 2083.4606 0.0000 0.0000 51910.1652 -109329.6566 298.3284 -161239.8218 -108979.3136 299.3690 -245.6120 -216.0561 762600.4255 12.6963 12.6039 PRESSURE: 4694800 -67.8151 33.2804 4.09823 33.2804 23.4956 8.0158 4.09775 8.01581 -156.327 GPRESSURE: 4694800 -184.949 10.5001 37.4444 87.5534 131.75 15.6395 93.1979 30.0527 -84.4187 PRESSAVG: 4694800 34.3365 -1.70942 72.7804 -1.70943 -2.58552 -32.6663 72.7804 -32.6663 13.0657 GPRESSAVG: 4694800 34.02 1.31303 73.4278 -4.31521 -1.60826 -32.798 72.9146 -33.4766 12.9938 TIMING: 4694800 CPU: 14660.8, 0.00309219/step Wall: 14660.8, 0.00309219/step, 0.262149 hours remaining, 236.062500 MB of memory in use. ENERGY: 4694800 3963.7096 20501.5876 14355.0317 267.0955 -202735.3800 2408.0980 0.0000 0.0000 52235.6315 -109004.2260 300.1989 -161239.8575 -108653.1481 299.2596 -66.8821 -45.8725 762191.3668 14.9389 15.1352 PRESSURE: 4695000 38.3969 96.0321 94.9874 96.032 -361.224 23.6503 94.9867 23.6515 27.5531 GPRESSURE: 4695000 49.0246 148.759 27.0436 171.654 -281.774 17.4926 34.0456 -3.32778 16.0694 PRESSAVG: 4695000 24.0275 -7.13511 50.1403 -7.13509 -30.5442 -43.2349 50.1404 -43.2349 -15.1584 GPRESSAVG: 4695000 23.7903 -7.89586 51.5504 -5.10558 -31.3797 -41.8023 50.4515 -43.5343 -13.5516 TIMING: 4695000 CPU: 14661.5, 0.00312521/step Wall: 14661.5, 0.00312521/step, 0.264775 hours remaining, 236.062500 MB of memory in use. ENERGY: 4695000 3975.7325 20595.3982 14451.3702 256.8037 -202706.0387 2264.4530 0.0000 0.0000 52051.1704 -109111.1107 299.1388 -161162.2811 -108753.4051 299.3792 -98.4246 -72.2267 762271.7905 -7.2250 -7.0470 PRESSURE: 4695200 180.115 152.067 -209.386 152.065 -241.595 -47.1606 -209.386 -47.1613 331.794 GPRESSURE: 4695200 209.006 148.066 -105.897 158.588 -141.567 -54.5474 -296.884 10.1748 288.551 PRESSAVG: 4695200 13.8316 -35.2035 10.7555 -35.2034 -1.24248 -10.7354 10.7556 -10.7354 29.7417 GPRESSAVG: 4695200 14.7919 -34.5085 10.5448 -36.269 -1.0715 -10.3626 7.06469 -9.55757 28.7811 TIMING: 4695200 CPU: 14662.1, 0.00311962/step Wall: 14662.1, 0.00311962/step, 0.264128 hours remaining, 236.062500 MB of memory in use. ENERGY: 4695200 4018.3292 20646.3324 14407.6075 247.5096 -202904.2720 2469.3588 0.0000 0.0000 52194.1677 -108920.9668 299.9606 -161115.1344 -108562.2695 300.1622 90.1049 118.6635 761830.1503 14.1102 14.1672 PRESSURE: 4695400 73.2774 -71.1349 -61.9277 -71.1346 -197.208 -276.852 -61.9279 -276.853 -209.403 GPRESSURE: 4695400 133.627 -68.9355 -12.178 -32.042 -241.928 -211.356 -46.0956 -237.661 -156.287 PRESSAVG: 4695400 0.62424 -12.681 3.21461 -12.681 -9.07447 4.26967 3.21461 4.26972 6.85937 GPRESSAVG: 4695400 -0.564506 -15.317 2.8214 -11.9532 -9.20497 5.25906 4.3168 4.17757 8.33101 TIMING: 4695400 CPU: 14662.7, 0.00310233/step Wall: 14662.7, 0.00310233/step, 0.262492 hours remaining, 236.062500 MB of memory in use. ENERGY: 4695400 4068.5506 20515.0091 14460.1792 273.9377 -203523.4102 2713.6966 0.0000 0.0000 52273.6002 -109218.4367 300.4171 -161492.0370 -108856.0058 300.1300 -111.1113 -88.1963 763441.7854 -0.5303 -0.4795 PRESSURE: 4695600 -138.188 115.486 -137.25 115.485 78.465 -94.5786 -137.25 -94.5787 19.4333 GPRESSURE: 4695600 -120.607 107.214 -195.738 55.5807 164.069 -46.1297 -178.372 -179.356 -4.05701 PRESSAVG: 4695600 45.8901 18.195 9.09136 18.1949 -20.495 -14.6484 9.09138 -14.6484 -0.0329521 GPRESSAVG: 4695600 47.0854 20.0576 9.64539 19.0169 -18.8255 -15.3528 8.91177 -13.9032 -3.00347 TIMING: 4695600 CPU: 14663.3, 0.00313519/step Wall: 14663.3, 0.00313519/step, 0.265098 hours remaining, 236.062500 MB of memory in use. ENERGY: 4695600 3986.2744 20475.6978 14449.2413 244.6857 -203329.7956 2684.9716 0.0000 0.0000 52142.9431 -109345.9817 299.6662 -161488.9248 -108976.5055 299.6602 -13.4298 13.1349 763380.5091 8.4540 8.4188 PRESSURE: 4695800 -373.43 111.595 40.7942 111.595 190.886 47.7946 40.7949 47.7953 52.8934 GPRESSURE: 4695800 -309.05 126.106 58.5725 111.101 256.639 28.0015 -107.212 -14.1837 29.0452 PRESSAVG: 4695800 -7.7807 -29.3852 -18.3067 -29.3852 13.9968 -5.32568 -18.3067 -5.32569 2.49471 GPRESSAVG: 4695800 -8.68216 -29.6127 -18.8646 -29.8785 12.6549 -5.60878 -19.0723 -5.59686 4.60147 TIMING: 4695800 CPU: 14664, 0.00314626/step Wall: 14664, 0.00314626/step, 0.265859 hours remaining, 236.062500 MB of memory in use. ENERGY: 4695800 4025.7424 20465.8242 14461.7128 254.3590 -203696.8747 2919.2137 0.0000 0.0000 52042.2867 -109527.7359 299.0877 -161570.0226 -109162.0561 298.9556 -43.2170 -7.7887 762146.7906 2.9036 2.8581 PRESSURE: 4696000 270.634 -55.2623 149.146 -55.2625 36.4328 12.609 149.145 12.6084 257.402 GPRESSURE: 4696000 217.287 81.9474 126.661 -20.2273 94.136 13.0147 115.389 -79.8997 345.661 PRESSAVG: 4696000 -12.7713 -12.1814 -31.42 -12.1814 -11.4878 1.95434 -31.42 1.95433 -4.14308 GPRESSAVG: 4696000 -13.4834 -11.8144 -30.7745 -11.5938 -10.5263 0.826989 -30.9205 0.0517482 -4.43517 TIMING: 4696000 CPU: 14664.6, 0.00314049/step Wall: 14664.6, 0.00314049/step, 0.265197 hours remaining, 236.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4696000 3999.1000 20464.4233 14392.0526 244.7837 -203598.3871 2899.8991 0.0000 0.0000 52044.8735 -109553.2549 299.1026 -161598.1284 -109190.1013 299.0873 188.1565 219.0279 761389.3563 -9.4674 -9.4816 PRESSURE: 4696200 -27.4738 138.849 43.3975 138.849 -346.297 -120.545 43.3981 -120.545 120.75 GPRESSURE: 4696200 0.245837 -52.3353 52.7483 120.225 -283.469 -119.614 16.8526 7.50086 100.012 PRESSAVG: 4696200 42.5941 34.1863 -15.3234 34.1863 -76.3835 -8.92745 -15.3234 -8.92742 -12.2613 GPRESSAVG: 4696200 44.0716 33.45 -17.034 32.4348 -78.1638 -9.68223 -12.6024 -9.69983 -12.071 TIMING: 4696200 CPU: 14665.2, 0.00310763/step Wall: 14665.2, 0.00310763/step, 0.262249 hours remaining, 236.062500 MB of memory in use. ENERGY: 4696200 3980.6943 20460.0014 14363.3077 253.1606 -203352.3303 2684.8297 0.0000 0.0000 52094.6105 -109515.7260 299.3884 -161610.3365 -109147.9439 298.9385 -84.3403 -61.0701 762404.6736 -15.3502 -15.3877 LDB: ============= START OF LOAD BALANCING ============== 14677.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14677.7 LDB: =============== DONE WITH MIGRATION ================ 14677.7 LDB: ============= START OF LOAD BALANCING ============== 14678 LDB: Largest compute 7060 load 0.030354 is 15.5% of average load 0.195334 LDB: Average compute 0.004390 is 2.2% of average load 0.195334 LDB: TIME 14678 LOAD: AVG 0.195334 MAX 0.218886 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.715 MB LDB: TIME 14678 LOAD: AVG 0.195334 MAX 0.218886 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.715 MB LDB: TIME 14678 LOAD: AVG 0.195334 MAX 0.216759 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.715 MB LDB: ============== END OF LOAD BALANCING =============== 14678 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14678 PRESSURE: 4696400 -115.823 -93.2463 -78.7236 -93.2454 -327.177 207.22 -78.7233 207.221 354.594 GPRESSURE: 4696400 -150.958 -136.412 -105.567 -154.522 -224.277 189.808 -48.6659 305.241 355.51 PRESSAVG: 4696400 21.4944 21.9965 14.5688 21.9965 -41.8947 0.0559503 14.5688 0.0559489 4.2331 GPRESSAVG: 4696400 21.3783 22.3196 16.7822 20.9026 -40.5949 1.23321 11.5955 1.38415 3.46359 TIMING: 4696400 CPU: 14665.9, 0.00318745/step Wall: 14665.9, 0.00318745/step, 0.268808 hours remaining, 234.316406 MB of memory in use. ENERGY: 4696400 3946.7953 20563.6954 14329.3433 231.6091 -203592.1886 2856.2336 0.0000 0.0000 52252.3608 -109412.1512 300.2950 -161664.5120 -109057.1782 298.8471 -29.4689 -6.5751 762556.7164 -5.3891 -5.2510 PRESSURE: 4696600 -38.5359 -157.699 95.1023 -157.699 -101.036 0.678015 95.1024 0.678201 -236.593 GPRESSURE: 4696600 -46.1797 -209.811 54.5509 -10.765 14.4709 -106.29 119.454 74.6122 -275.796 PRESSAVG: 4696600 43.2498 -7.87938 44.0002 -7.87936 -28.267 -5.97093 44.0002 -5.97098 -13.0737 GPRESSAVG: 4696600 42.6368 -6.47125 44.8373 -7.8456 -27.9683 -6.41621 45.0246 -4.85432 -12.727 TIMING: 4696600 CPU: 14666.5, 0.00310067/step Wall: 14666.5, 0.00310067/step, 0.261318 hours remaining, 234.605469 MB of memory in use. ENERGY: 4696600 4040.1325 20564.5761 14435.2180 254.2059 -203036.4451 2542.3032 0.0000 0.0000 51999.9818 -109200.0275 298.8446 -161200.0093 -108835.0873 299.4248 -125.3885 -102.5015 763502.0687 0.6364 0.6472 PRESSURE: 4696800 -256.298 67.3344 118.654 67.3354 -160.386 -75.448 118.654 -75.4474 205.055 GPRESSURE: 4696800 -218.94 51.1363 140.063 36.0628 -172.131 -138.656 47.0757 -32.7899 263.166 PRESSAVG: 4696800 -31.5966 21.1474 32.0869 21.1474 10.3262 13.2162 32.087 13.2162 20.6584 GPRESSAVG: 4696800 -30.1944 20.3843 30.7618 21.0781 9.52379 12.0084 31.6878 13.8442 20.6985 TIMING: 4696800 CPU: 14667.1, 0.00311016/step Wall: 14667.1, 0.00311016/step, 0.261945 hours remaining, 234.605469 MB of memory in use. ENERGY: 4696800 4006.2290 20531.3711 14426.4845 253.7574 -203292.8638 2630.1966 0.0000 0.0000 52319.9697 -109124.8555 300.6836 -161444.8252 -108762.6472 300.0258 -70.5430 -42.6348 763757.5468 -0.2040 0.0093 PRESSURE: 4697000 -79.0655 0.0262794 5.7356 0.0262235 55.1268 -96.4148 5.73612 -96.4146 -144.514 GPRESSURE: 4697000 -6.63707 38.6108 73.8261 -57.9261 38.9308 -46.7901 212.654 21.1218 -105.701 PRESSAVG: 4697000 6.87115 -13.0882 39.5479 -13.0882 9.46291 6.5469 39.548 6.54688 -27.8197 GPRESSAVG: 4697000 6.53986 -12.1845 38.8865 -12.7772 10.2601 7.95735 41.4947 4.56434 -27.7739 TIMING: 4697000 CPU: 14667.7, 0.0031006/step Wall: 14667.7, 0.0031006/step, 0.260967 hours remaining, 234.605469 MB of memory in use. ENERGY: 4697000 3970.5310 20459.1868 14355.3064 260.0215 -202751.9873 2552.2573 0.0000 0.0000 52115.0788 -109039.6055 299.5061 -161154.6843 -108683.1813 299.8572 -56.1510 -24.4690 764703.8928 -3.8285 -3.6580 PRESSURE: 4697200 -68.6741 -46.8201 -138.833 -46.8205 73.2527 -67.1028 -138.833 -67.103 -205.253 GPRESSURE: 4697200 -35.1912 -100.238 -197.525 -4.90951 112.187 36.8878 -176.182 -74.7024 -197.393 PRESSAVG: 4697200 62.8004 8.46566 15.9788 8.46564 -47.7962 -32.7909 15.9788 -32.7908 18.2869 GPRESSAVG: 4697200 63.1669 7.14474 16.7743 8.90217 -48.1055 -32.6735 16.3541 -34.5288 18.4952 TIMING: 4697200 CPU: 14668.3, 0.00311859/step Wall: 14668.3, 0.00311859/step, 0.262308 hours remaining, 234.605469 MB of memory in use. ENERGY: 4697200 4003.7178 20377.6051 14426.4618 254.2777 -203107.7661 2764.1564 0.0000 0.0000 52137.5693 -109143.9779 299.6353 -161281.5472 -108778.6456 299.8528 -66.8915 -40.1324 763825.6030 11.0970 11.1856 PRESSURE: 4697400 249.712 -126.992 63.2671 -126.993 -218.471 184.198 63.2675 184.198 -65.1349 GPRESSURE: 4697400 189.628 44.2337 60.522 -76.8554 -130.808 127.64 14.9353 137.461 0.164575 PRESSAVG: 4697400 15.5708 -22.0991 -3.14126 -22.0991 -52.143 -18.4123 -3.14125 -18.4124 2.90658 GPRESSAVG: 4697400 14.6571 -21.9571 -4.80056 -22.6096 -52.3078 -18.4385 -4.37676 -16.0963 3.30505 TIMING: 4697400 CPU: 14669, 0.00312801/step Wall: 14669, 0.00312801/step, 0.262926 hours remaining, 234.605469 MB of memory in use. ENERGY: 4697400 4072.6686 20382.9065 14372.1042 241.1481 -203080.2015 2680.6582 0.0000 0.0000 52010.1744 -109320.5415 298.9032 -161330.7160 -108956.1078 299.5919 -11.2982 19.6615 762826.9173 -11.2219 -11.4485 PRESSURE: 4697600 164.879 -91.3954 97.7132 -91.3955 97.5156 266.862 97.7126 266.861 255.095 GPRESSURE: 4697600 213.828 -137.585 -20.3924 -44.887 138.846 181.077 133.23 253.861 241.933 PRESSAVG: 4697600 35.8623 -13.4498 -8.7506 -13.4498 -3.21797 -23.6496 -8.75062 -23.6496 -36.1586 GPRESSAVG: 4697600 36.9145 -13.7656 -7.23249 -11.5293 -3.41011 -25.5738 -9.09603 -23.2144 -37.2831 TIMING: 4697600 CPU: 14669.6, 0.00312047/step Wall: 14669.6, 0.00312047/step, 0.262119 hours remaining, 234.605469 MB of memory in use. ENERGY: 4697600 3978.5185 20529.0356 14453.8614 268.8407 -202947.6752 2602.5689 0.0000 0.0000 52028.1345 -109086.7156 299.0064 -161114.8501 -108725.9584 299.0947 172.4965 198.2026 763581.8555 -1.1714 -1.2596 PRESSURE: 4697800 -7.53699 -217.029 96.1672 -217.029 -35.1645 -76.288 96.167 -76.2879 -189.113 GPRESSURE: 4697800 120.876 -70.111 61.2973 -232.866 -58.3082 -16.2488 57.7835 -0.313743 -218.558 PRESSAVG: 4697800 59.1341 27.3474 61.3785 27.3475 7.96775 -7.09037 61.3786 -7.09036 19.4517 GPRESSAVG: 4697800 59.3596 27.2056 61.69 25.2396 7.62444 -6.17911 60.0373 -6.87892 19.1742 TIMING: 4697800 CPU: 14670.2, 0.00310175/step Wall: 14670.2, 0.00310175/step, 0.260375 hours remaining, 234.605469 MB of memory in use. ENERGY: 4697800 3998.7485 20532.7150 14485.5633 244.8618 -203386.7865 2739.7915 0.0000 0.0000 52216.8654 -109168.2409 300.0910 -161385.1063 -108799.5794 299.8059 -77.2716 -51.9969 761426.3528 28.8512 28.7194 PRESSURE: 4698000 -141.144 -92.8493 231.082 -92.8489 34.1581 20.4436 231.083 20.443 -229.504 GPRESSURE: 4698000 -165.776 -123.939 312.269 -146.16 83.399 62.5407 79.7747 25.3082 -163.006 PRESSAVG: 4698000 -8.49832 30.2584 1.23071 30.2584 8.61722 -42.5924 1.23064 -42.5924 -1.92102 GPRESSAVG: 4698000 -9.75959 28.8585 -0.53494 31.8984 8.42422 -41.1834 2.13751 -43.9765 -0.944022 TIMING: 4698000 CPU: 14670.8, 0.00309766/step Wall: 14670.8, 0.00309766/step, 0.259859 hours remaining, 234.605469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4698000 4049.3408 20586.0284 14443.7798 253.7659 -203017.7131 2425.6637 0.0000 0.0000 51938.2167 -109320.9178 298.4896 -161259.1344 -108951.8752 299.2804 -112.1636 -81.7943 763172.3387 -0.6007 -0.7598 PRESSURE: 4698200 -45.0046 34.343 -26.4688 34.3429 -393.414 -319.826 -26.4693 -319.826 -392.697 GPRESSURE: 4698200 -89.1048 80.9922 64.2875 -9.6098 -275.633 -248.543 -84.0572 -180.603 -394.498 PRESSAVG: 4698200 20.531 46.4299 -7.90451 46.4299 -8.62926 -6.03409 -7.90451 -6.03407 3.35844 GPRESSAVG: 4698200 21.7458 45.7249 -5.91101 44.2095 -9.69665 -6.70861 -9.09969 -3.74146 2.66102 TIMING: 4698200 CPU: 14671.5, 0.00311448/step Wall: 14671.5, 0.00311448/step, 0.261097 hours remaining, 234.605469 MB of memory in use. ENERGY: 4698200 3988.1300 20506.4871 14432.0653 231.2530 -202915.7035 2374.1236 0.0000 0.0000 52239.0919 -109144.5525 300.2188 -161383.6444 -108756.2085 299.2592 -277.0383 -253.0787 762418.1632 5.0867 4.9034 PRESSURE: 4698400 -213.409 -34.9555 -132.057 -34.9561 174.56 88.741 -132.056 88.7412 183.345 GPRESSURE: 4698400 -202.596 126.821 -140.881 -83.7345 206.897 118.687 -59.592 85.2595 237.449 PRESSAVG: 4698400 -48.3098 1.19415 8.29251 1.19411 19.7847 -12.7839 8.29254 -12.7839 -32.0562 GPRESSAVG: 4698400 -49.2779 3.43723 4.74638 3.12362 20.1802 -11.9787 12.8407 -15.7105 -31.2315 TIMING: 4698400 CPU: 14672.1, 0.00311707/step Wall: 14672.1, 0.00311707/step, 0.261141 hours remaining, 234.605469 MB of memory in use. ENERGY: 4698400 3909.2856 20562.2901 14429.4631 255.0369 -202998.3647 2502.5728 0.0000 0.0000 51873.6799 -109466.0361 298.1188 -161339.7160 -109101.8140 299.4096 48.1654 80.5834 762644.5760 -20.1937 -20.1097 PRESSURE: 4698600 232.585 -189.623 -105.044 -189.623 -415.268 -113.962 -105.043 -113.962 -117.534 GPRESSURE: 4698600 153.412 -181.208 -101.024 -265.473 -356.144 -124.513 -31.4409 37.9407 -15.7778 PRESSAVG: 4698600 -14.0915 -24.5639 16.9544 -24.564 39.1517 -41.5165 16.9544 -41.5165 4.63363 GPRESSAVG: 4698600 -14.0706 -24.5203 18.2686 -24.8994 40.1252 -42.3238 11.5914 -39.8783 3.92512 TIMING: 4698600 CPU: 14672.7, 0.0031005/step Wall: 14672.7, 0.00310049/step, 0.25958 hours remaining, 234.605469 MB of memory in use. ENERGY: 4698600 4074.8036 20448.7753 14442.2742 241.6812 -203254.5492 2664.5115 0.0000 0.0000 52002.5057 -109379.9976 298.8591 -161382.5034 -109021.1977 299.2412 -100.0723 -72.8366 763313.6352 9.8979 9.9932 PRESSURE: 4698800 218.97 -141.108 -262.613 -141.109 -302.561 182.317 -262.613 182.317 10.6557 GPRESSURE: 4698800 225.139 -84.7094 -240.797 -95.2928 -208.118 136.434 -216.783 62.173 6.42364 PRESSAVG: 4698800 38.3715 26.7207 18.6521 26.7207 -23.2696 -51.6584 18.652 -51.6583 11.6764 GPRESSAVG: 4698800 36.3634 26.3764 19.8936 27.3706 -22.1107 -53.9093 20.5787 -50.2122 12.493 TIMING: 4698800 CPU: 14673.3, 0.00310142/step Wall: 14673.3, 0.00310142/step, 0.259486 hours remaining, 234.605469 MB of memory in use. ENERGY: 4698800 3975.2870 20470.6863 14397.0923 240.5291 -203393.6506 2701.9546 0.0000 0.0000 52213.8106 -109394.2906 300.0735 -161608.1012 -109035.1006 299.5845 -24.3118 7.8149 763630.1438 8.9261 8.9153 PRESSURE: 4699000 164.187 153.402 87.1928 153.404 79.8012 -116.909 87.1939 -116.91 -81.215 GPRESSURE: 4699000 180.767 93.7752 70.0473 114.875 66.9329 -151.592 115.278 -229.308 -3.09205 PRESSAVG: 4699000 -27.511 45.5073 -39.8138 45.5073 16.5353 -30.2297 -39.8139 -30.2297 1.74734 GPRESSAVG: 4699000 -25.3493 45.2517 -40.475 45.7644 16.5668 -26.6418 -39.2462 -32.283 0.542954 TIMING: 4699000 CPU: 14673.9, 0.00309809/step Wall: 14673.9, 0.00309809/step, 0.259035 hours remaining, 234.605469 MB of memory in use. ENERGY: 4699000 4017.8806 20435.5428 14395.6764 227.8324 -203718.6395 2927.2987 0.0000 0.0000 52015.8754 -109698.5332 298.9360 -161714.4086 -109335.6015 299.0570 54.2579 81.5360 763652.3762 -3.0761 -2.7465 PRESSURE: 4699200 147.974 -166.56 74.3513 -166.56 164.101 -95.7552 74.3515 -95.7554 287.411 GPRESSURE: 4699200 56.7456 -106.723 124.477 -115.762 291.125 -104.304 153.35 -10.5657 338.937 PRESSAVG: 4699200 -54.4153 -52.1523 -7.10926 -52.1523 19.5537 -24.3462 -7.1093 -24.3463 8.85238 GPRESSAVG: 4699200 -54.468 -53.1022 -7.30067 -51.7434 18.5365 -26.3229 -4.98538 -24.0257 9.43641 TIMING: 4699200 CPU: 14674.6, 0.0031014/step Wall: 14674.6, 0.0031014/step, 0.259139 hours remaining, 234.605469 MB of memory in use. ENERGY: 4699200 3953.0407 20459.2826 14336.8671 236.5948 -203911.3636 3152.2737 0.0000 0.0000 52105.3135 -109667.9911 299.4500 -161773.3047 -109307.4180 298.7035 199.8288 228.9358 762501.0126 -8.6698 -8.8317 PRESSURE: 4699400 -123.972 182.473 26.1291 182.474 -139.24 217.486 26.1292 217.486 -328.522 GPRESSURE: 4699400 -146.453 222.564 -59.5539 221.118 -39.7382 224.636 53.473 215.247 -317.322 PRESSAVG: 4699400 4.36183 -19.4474 16.8452 -19.4474 -6.14992 -23.3732 16.8453 -23.3732 -19.1299 GPRESSAVG: 4699400 3.03195 -18.2261 18.2529 -18.4573 -5.80384 -23.7733 14.6331 -20.331 -18.378 TIMING: 4699400 CPU: 14675.2, 0.00309005/step Wall: 14675.2, 0.00309005/step, 0.258019 hours remaining, 234.605469 MB of memory in use. ENERGY: 4699400 3894.9239 20590.7400 14444.3643 255.5331 -203074.7441 2327.6508 0.0000 0.0000 51825.4694 -109736.0627 297.8417 -161561.5321 -109368.2387 298.4010 -197.2446 -167.8375 761641.9335 -6.9727 -7.0500 PRESSURE: 4699600 97.1572 -169.445 -72.4526 -169.445 -264.706 -176.607 -72.4515 -176.606 -153.177 GPRESSURE: 4699600 223.743 -139.282 -168.886 -87.7554 -271.235 -133.673 -148.676 -266.38 -179 PRESSAVG: 4699600 -3.96185 1.3511 -3.30524 1.35112 33.517 -47.2063 -3.30525 -47.2063 3.81346 GPRESSAVG: 4699600 -3.46225 1.14389 -4.96471 1.06003 34.0385 -46.2967 -4.47299 -49.2595 2.61572 TIMING: 4699600 CPU: 14675.8, 0.00309227/step Wall: 14675.8, 0.00309227/step, 0.258033 hours remaining, 234.605469 MB of memory in use. ENERGY: 4699600 4004.2659 20478.8822 14386.3520 229.8870 -203207.6019 2627.7491 0.0000 0.0000 51990.5903 -109489.8755 298.7906 -161480.4658 -109127.0429 298.8327 -106.9085 -75.4973 761991.3524 11.1229 11.0640 PRESSURE: 4699800 -356.907 82.8977 42.7387 82.8984 -426.293 60.5259 42.7392 60.5264 -560.451 GPRESSURE: 4699800 -334.883 136.544 61.9859 53.0486 -352.808 154.868 101.918 37.8 -558.71 PRESSAVG: 4699800 -2.96504 -13.9129 -14.1017 -13.9129 19.0424 -31.2911 -14.1017 -31.2912 2.51074 GPRESSAVG: 4699800 -2.60032 -12.0394 -13.7513 -16.9291 18.7087 -30.7283 -12.5139 -31.7299 2.48195 TIMING: 4699800 CPU: 14676.4, 0.00310895/step Wall: 14676.4, 0.00310895/step, 0.259252 hours remaining, 234.710938 MB of memory in use. ENERGY: 4699800 4019.4009 20487.6560 14470.4718 230.9233 -202622.9303 2147.5470 0.0000 0.0000 51964.3774 -109302.5539 298.6400 -161266.9313 -108946.4959 299.0538 -447.8835 -415.4667 762846.7657 6.1960 6.1968 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 4700000 WRITING COORDINATES TO RESTART FILE AT STEP 4700000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4700000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4700000 -70.9735 10.8569 -84.502 10.858 19.0798 116.76 -84.5021 116.76 -41.0989 GPRESSURE: 4700000 -78.9054 149.71 -9.82056 36.2471 61.5048 71.9471 -45.9784 104.35 1.64777 PRESSAVG: 4700000 20.1568 5.69698 -40.0204 5.69701 -9.25945 -31.96 -40.0204 -31.96 -10.9388 GPRESSAVG: 4700000 20.389 4.83225 -39.2554 6.85139 -9.60746 -33.991 -39.6621 -32.1696 -10.486 TIMING: 4700000 CPU: 14677.1, 0.00323117/step Wall: 14677.1, 0.00323117/step, 0.269264 hours remaining, 234.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4700000 4003.2935 20561.5693 14321.9993 259.1401 -202869.2997 2547.4682 0.0000 0.0000 51926.1519 -109249.6774 298.4203 -161175.8293 -108892.5585 299.3746 -30.9975 -5.2510 762817.9890 -0.0138 0.0985 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4700000 PRESSURE: 4700200 261.03 -243.52 95.0279 -243.52 311.761 -8.50191 95.027 -8.50229 237.308 GPRESSURE: 4700200 293.145 -134.712 72.0314 -115.523 371.054 8.82554 -85.14 58.4425 222.457 PRESSAVG: 4700200 -0.742933 -2.3277 7.05186 -2.32765 -34.5842 -2.52397 7.05194 -2.52389 1.69461 GPRESSAVG: 4700200 -1.89569 -2.93588 5.01028 -2.87346 -32.955 -2.04019 4.65006 -2.50699 1.12434 TIMING: 4700200 CPU: 14677.7, 0.0031265/step Wall: 14677.7, 0.0031265/step, 0.260368 hours remaining, 234.710938 MB of memory in use. ENERGY: 4700200 3947.9611 20406.8440 14319.9238 251.5640 -203421.0475 2851.1667 0.0000 0.0000 52302.3865 -109341.2013 300.5825 -161643.5878 -108975.9760 299.1321 270.0334 295.5521 762851.0376 -11.2109 -11.2421 LDB: ============= START OF LOAD BALANCING ============== 14690.2 LDB: ============== END OF LOAD BALANCING =============== 14690.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14690.2 LDB: ============= START OF LOAD BALANCING ============== 14690.5 LDB: Largest compute 7060 load 0.031881 is 16.3% of average load 0.195350 LDB: Average compute 0.004384 is 2.2% of average load 0.195350 LDB: TIME 14690.5 LOAD: AVG 0.19535 MAX 0.215157 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.262 MB LDB: TIME 14690.5 LOAD: AVG 0.19535 MAX 0.215157 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.262 MB LDB: TIME 14690.5 LOAD: AVG 0.19535 MAX 0.215157 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.262 MB LDB: ============== END OF LOAD BALANCING =============== 14690.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14690.5 PRESSURE: 4700400 -254.749 -94.0965 -22.1308 -94.0964 344.25 82.6599 -22.1312 82.6586 13.1563 GPRESSURE: 4700400 -258.867 -159.894 140.379 -102.688 357.183 41.9431 86.1495 164.829 95.86 PRESSAVG: 4700400 42.3216 -11.2914 32.9747 -11.2915 40.3034 -7.1159 32.9746 -7.11588 -1.30944 GPRESSAVG: 4700400 42.9803 -10.6811 33.2604 -13.7892 38.0838 -6.60822 34.5849 -5.83019 0.135871 TIMING: 4700400 CPU: 14678.3, 0.00317675/step Wall: 14678.3, 0.00317675/step, 0.264376 hours remaining, 233.750000 MB of memory in use. ENERGY: 4700400 3913.0507 20559.9935 14371.6626 258.3536 -203556.4254 2684.4040 0.0000 0.0000 52455.4375 -109313.5235 301.4621 -161768.9610 -108938.8707 299.6824 34.2190 64.7255 760760.4359 27.1052 27.0667 PRESSURE: 4700600 31.112 -78.4704 80.9721 -78.4704 16.7861 7.61093 80.9724 7.61113 -99.4445 GPRESSURE: 4700600 113.231 -153.276 108.071 25.7641 14.093 3.85676 46.1965 16.0274 -91.6093 PRESSAVG: 4700600 -23.6414 5.96208 32.3587 5.96209 -8.05317 30.7543 32.3587 30.7543 -33.661 GPRESSAVG: 4700600 -23.1294 4.2008 30.702 9.48691 -6.79303 30.3925 33.8731 31.7435 -35.3001 TIMING: 4700600 CPU: 14679, 0.00311677/step Wall: 14679, 0.00311677/step, 0.259212 hours remaining, 233.750000 MB of memory in use. ENERGY: 4700600 3992.8850 20512.8520 14315.2207 237.1847 -203246.4034 2478.2343 0.0000 0.0000 52300.2801 -109409.7466 300.5704 -161710.0267 -109050.6025 299.3264 -17.1821 11.9049 761149.6721 -21.7852 -21.7409 PRESSURE: 4700800 -339.409 -82.1117 1.43538 -82.1112 92.3165 -36.1612 1.43575 -36.1621 -249.308 GPRESSURE: 4700800 -291.612 31.1469 -27.377 -215.587 117.066 -101.88 61.7206 -138.309 -238.689 PRESSAVG: 4700800 31.3257 -4.02819 34.7139 -4.0281 -29.3385 32.5062 34.7139 32.5062 16.1202 GPRESSAVG: 4700800 30.7419 -4.32528 38.1933 -3.24436 -31.2539 32.0942 33.2372 29.9818 18.1859 TIMING: 4700800 CPU: 14679.6, 0.00311227/step Wall: 14679.6, 0.00311227/step, 0.258664 hours remaining, 233.750000 MB of memory in use. ENERGY: 4700800 3968.6920 20431.7773 14404.5756 251.9516 -203445.8414 2646.7875 0.0000 0.0000 52246.9000 -109495.1573 300.2637 -161742.0573 -109136.1470 299.1779 -165.4671 -137.7454 760511.9347 6.0358 5.8913 PRESSURE: 4701000 -279.604 -243.763 -35.8832 -243.763 138.197 -138.517 -35.8841 -138.518 232.524 GPRESSURE: 4701000 -194.861 -249.164 -47.2221 -269.516 173.637 -186.842 48.8774 -189.427 205.64 PRESSAVG: 4701000 32.7738 -40.9993 36.7644 -40.9993 -40.4158 -5.87104 36.7644 -5.87103 55.8034 GPRESSAVG: 4701000 32.9265 -39.9582 34.2764 -42.2918 -39.2949 -6.51387 37.3759 -5.93197 54.7347 TIMING: 4701000 CPU: 14680.2, 0.00312284/step Wall: 14680.2, 0.00312284/step, 0.259369 hours remaining, 233.750000 MB of memory in use. ENERGY: 4701000 3963.8426 20453.9788 14428.1930 250.8735 -203135.1144 2789.1336 0.0000 0.0000 52006.7258 -109242.3670 298.8834 -161249.0928 -108880.1899 299.0830 30.3722 61.4721 761415.3925 16.0538 16.1221 PRESSURE: 4701200 69.8479 29.2329 -258.306 29.2325 31.6315 -260.58 -258.306 -260.58 37.8644 GPRESSURE: 4701200 84.2459 42.8414 -212.956 36.6613 47.7236 -207.492 -103.021 -162.633 86.3381 PRESSAVG: 4701200 53.8437 16.8574 -25.1396 16.8574 -77.6111 -17.7241 -25.1395 -17.7241 25.2891 GPRESSAVG: 4701200 54.2943 18.1536 -22.9967 15.84 -78.0896 -14.8259 -24.9369 -18.6161 24.8823 TIMING: 4701200 CPU: 14680.8, 0.00311306/step Wall: 14680.8, 0.00311306/step, 0.258384 hours remaining, 233.750000 MB of memory in use. ENERGY: 4701200 3970.6585 20635.2190 14499.8427 257.3685 -203369.2491 2640.3257 0.0000 0.0000 52151.9813 -109213.8535 299.7182 -161365.8348 -108842.6234 300.1076 46.4479 72.7692 762465.6085 0.5072 0.3623 PRESSURE: 4701400 13.541 -197.806 -86.2194 -197.807 95.386 -288.459 -86.2194 -288.46 -243.146 GPRESSURE: 4701400 66.0236 -165.176 -56.3329 -46.2139 113.654 -234.506 -203.056 -189.583 -233.899 PRESSAVG: 4701400 -2.02263 27.8155 -48.0727 27.8155 -23.3838 10.6548 -48.0727 10.6548 -4.7456 GPRESSAVG: 4701400 -2.48785 26.8049 -48.8724 29.5573 -23.8836 9.10505 -48.3471 12.6958 -3.38713 TIMING: 4701400 CPU: 14681.4, 0.00310179/step Wall: 14681.4, 0.00310179/step, 0.257276 hours remaining, 233.750000 MB of memory in use. ENERGY: 4701400 3985.2062 20568.5147 14365.7350 246.5017 -203455.6886 2568.8951 0.0000 0.0000 52365.5937 -109355.2422 300.9458 -161720.8358 -108986.2815 299.7802 -44.7397 -18.0737 763010.0965 -10.0507 -9.9195 PRESSURE: 4701600 -235.296 -23.4354 55.4947 -23.4353 -260.681 243.052 55.4947 243.052 -237.493 GPRESSURE: 4701600 -255.592 45.9441 55.4476 -100.216 -237.718 181.912 45.1693 186.879 -139.81 PRESSAVG: 4701600 -33.1373 0.911534 19.5988 0.91154 14.8929 -29.1104 19.5988 -29.1104 13.1793 GPRESSAVG: 4701600 -33.7129 0.578506 18.4843 -0.876671 15.854 -28.7041 17.2628 -31.7295 13.2223 TIMING: 4701600 CPU: 14682.1, 0.00308885/step Wall: 14682.1, 0.00308885/step, 0.256031 hours remaining, 233.738281 MB of memory in use. ENERGY: 4701600 4046.9667 20597.0486 14369.1122 245.7443 -202925.1965 2283.9461 0.0000 0.0000 52027.3318 -109355.0468 299.0018 -161382.3786 -109003.0666 299.8729 -244.4899 -211.0400 761666.6372 -1.6884 -1.5455 PRESSURE: 4701800 -202.523 146.917 151.48 146.917 -359.474 -24.7154 151.479 -24.715 163.66 GPRESSURE: 4701800 -152.797 132.186 146.123 153.58 -297.103 -109.111 84.833 63.7661 156.27 PRESSAVG: 4701800 53.1752 -31.9507 44.9467 -31.9507 -7.96273 37.2453 44.9467 37.2454 5.18468 GPRESSAVG: 4701800 52.6866 -31.0839 45.2144 -30.9217 -6.99288 36.0584 44.7621 39.8338 4.42412 TIMING: 4701800 CPU: 14682.7, 0.00310094/step Wall: 14682.7, 0.00310094/step, 0.256861 hours remaining, 233.738281 MB of memory in use. ENERGY: 4701800 4087.8434 20413.8006 14445.5221 263.4547 -203333.7751 2769.8421 0.0000 0.0000 52062.1496 -109291.1627 299.2019 -161353.3122 -108932.5752 299.6526 -132.7789 -97.8769 761309.8962 16.7990 16.7059 PRESSURE: 4702000 148.844 -46.1283 122.646 -46.1282 -4.16865 150.938 122.646 150.938 169.507 GPRESSURE: 4702000 145.614 4.68222 110.841 -90.9323 27.1385 130.426 104.137 136.602 221.553 PRESSAVG: 4702000 40.383 60.0373 -14.1827 60.0373 -32.474 -21.9824 -14.1827 -21.9825 2.079 GPRESSAVG: 4702000 40.1378 60.5981 -11.0616 60.4054 -33.8172 -20.6782 -15.2738 -23.2562 3.05086 TIMING: 4702000 CPU: 14683.3, 0.00310687/step Wall: 14683.3, 0.00310687/step, 0.25718 hours remaining, 233.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4702000 4006.7986 20562.6189 14301.6057 238.3422 -202997.0410 2585.7774 0.0000 0.0000 52052.5431 -109249.3551 299.1467 -161301.8982 -108889.4299 299.6692 104.7276 131.4350 762503.8236 3.3294 3.1238 PRESSURE: 4702200 -92.1125 155.052 153.525 155.052 -320.246 164.493 153.525 164.494 82.8141 GPRESSURE: 4702200 -39.1307 147.6 96.2842 146.751 -295.195 169.881 139.292 161.135 73.6312 PRESSAVG: 4702200 9.88433 -9.89748 -35.3554 -9.89743 -30.718 16.1434 -35.3554 16.1433 10.3575 GPRESSAVG: 4702200 11.5923 -11.4809 -36.358 -10.5956 -31.7132 15.8613 -34.2468 16.0567 9.44406 TIMING: 4702200 CPU: 14683.9, 0.00311565/step Wall: 14683.9, 0.00311565/step, 0.257734 hours remaining, 233.750000 MB of memory in use. ENERGY: 4702200 4035.8268 20640.3072 14350.3475 251.8127 -203164.2027 2562.6816 0.0000 0.0000 51696.7838 -109626.4431 297.1021 -161323.2269 -109266.1436 299.3127 -109.8480 -86.8981 762913.4065 -3.4921 -3.5590 PRESSURE: 4702400 -188.894 28.5534 -37.2376 28.5533 -206.07 122.82 -37.2376 122.819 208.943 GPRESSURE: 4702400 -157.822 27.9857 -92.3517 33.3074 -148.954 100.841 110.955 33.5206 208.627 PRESSAVG: 4702400 -56.3675 -1.57101 -29.7734 -1.57101 55.9199 14.5886 -29.7734 14.5886 -2.18807 GPRESSAVG: 4702400 -56.4822 -0.467412 -30.381 -2.10002 56.4284 13.7601 -28.5159 16.3018 -2.46619 TIMING: 4702400 CPU: 14684.5, 0.00310381/step Wall: 14684.5, 0.00310381/step, 0.256582 hours remaining, 233.750000 MB of memory in use. ENERGY: 4702400 3919.6923 20641.2595 14417.2096 240.5289 -203455.1981 2616.2282 0.0000 0.0000 51922.1993 -109698.0804 298.3976 -161620.2797 -109337.4129 298.8338 -62.0071 -32.7166 762891.9274 -0.8786 -0.8400 PRESSURE: 4702600 -300.492 -160.063 -44.6048 -160.063 -140.491 93.7298 -44.6048 93.7301 -184.899 GPRESSURE: 4702600 -295.326 -252.859 -73.7709 -109.178 -99.3441 -28.8581 -33.7381 110.857 -147.538 PRESSAVG: 4702600 -3.49659 -36.2721 -2.82461 -36.2721 -14.6748 -27.8 -2.82459 -27.8 14.5946 GPRESSAVG: 4702600 -5.41482 -36.8432 -3.44756 -36.5097 -14.7559 -27.9639 -2.64268 -29.8736 16.8353 TIMING: 4702600 CPU: 14685.2, 0.00311831/step Wall: 14685.2, 0.00311831/step, 0.257607 hours remaining, 233.750000 MB of memory in use. ENERGY: 4702600 3950.2722 20517.8365 14398.5913 235.8024 -203363.0654 2522.9189 0.0000 0.0000 52018.5736 -109719.0706 298.9515 -161737.6442 -109359.8988 298.7407 -208.6272 -180.7361 762469.8672 -1.1923 -1.1118 PRESSURE: 4702800 -322.161 -120.151 196.66 -120.151 -3.42042 110.797 196.661 110.798 -467.294 GPRESSURE: 4702800 -236.097 -119.546 71.1462 -185.057 37.5564 104.144 274.685 127.914 -470.383 PRESSAVG: 4702800 -1.94094 -0.365377 12.4458 -0.365344 -38.3813 -22.1976 12.4458 -22.1977 8.44822 GPRESSAVG: 4702800 -0.618034 0.4815 11.8519 0.393445 -37.5353 -21.3201 12.2184 -22.109 6.21599 TIMING: 4702800 CPU: 14685.8, 0.00308192/step Wall: 14685.8, 0.00308192/step, 0.25443 hours remaining, 233.750000 MB of memory in use. ENERGY: 4702800 3933.4670 20405.4531 14325.7200 232.6553 -203374.9317 2559.3685 0.0000 0.0000 52142.9149 -109775.3528 299.6660 -161918.2678 -109410.0620 298.3458 -264.2919 -222.9746 762047.9622 -10.6247 -10.6458 PRESSURE: 4703000 -130.728 144.918 -22.1358 144.918 -140.153 -173.79 -22.1366 -173.79 -165.384 GPRESSURE: 4703000 -113.767 145.676 17.9286 0.753512 -51.1955 -134.788 78.1308 -102.64 -190.635 PRESSAVG: 4703000 -1.37245 -24.3927 30.458 -24.3927 3.79668 5.4142 30.458 5.41419 -12.243 GPRESSAVG: 4703000 -0.157961 -25.0797 30.574 -25.7021 2.27426 4.63227 29.5516 6.27886 -12.4485 TIMING: 4703000 CPU: 14686.4, 0.00308325/step Wall: 14686.4, 0.00308325/step, 0.254368 hours remaining, 233.750000 MB of memory in use. ENERGY: 4703000 3958.8482 20529.2073 14399.1090 260.1385 -203114.9872 2481.9130 0.0000 0.0000 51953.1674 -109532.6038 298.5756 -161485.7712 -109164.0332 298.5591 -145.4218 -118.5325 763331.0003 -3.2729 -3.4441 PRESSURE: 4703200 -208.809 -142.392 203.647 -142.392 -242.264 -38.98 203.647 -38.9818 98.8726 GPRESSURE: 4703200 -208.567 -193.915 215.85 -37.9526 -180.655 16.9134 49.049 -38.9012 105.897 PRESSAVG: 4703200 -13.1743 8.75635 20.7217 8.75632 -19.6027 -3.85647 20.7218 -3.85646 -20.0911 GPRESSAVG: 4703200 -14.8891 9.37319 20.2923 10.8596 -18.3206 -4.62651 21.4693 -5.31195 -19.9389 TIMING: 4703200 CPU: 14687, 0.00308809/step Wall: 14687, 0.00308809/step, 0.254596 hours remaining, 233.750000 MB of memory in use. ENERGY: 4703200 3967.5887 20422.4657 14369.2539 257.7324 -203212.1426 2590.6936 0.0000 0.0000 52006.5337 -109597.8745 298.8823 -161604.4082 -109239.5862 299.0676 -117.4002 -94.4415 764119.1273 -17.6227 -17.7162 PRESSURE: 4703400 -26.1058 26.6725 15.9668 26.6724 129.422 -106.689 15.9675 -106.69 26.117 GPRESSURE: 4703400 41.5806 37.8305 37.0296 47.9281 119.525 -58.1656 85.8858 -247.209 47.8232 PRESSAVG: 4703400 13.6826 -24.3108 50.8557 -24.3108 -4.3775 -2.2147 50.8557 -2.21471 -1.51766 GPRESSAVG: 4703400 14.731 -25.7192 51.494 -27.1511 -5.13569 0.183595 49.3682 -1.7251 -1.74797 TIMING: 4703400 CPU: 14687.6, 0.00312768/step Wall: 14687.6, 0.00312768/step, 0.257686 hours remaining, 233.750000 MB of memory in use. ENERGY: 4703400 4026.1454 20448.5893 14441.3246 250.7243 -203627.2278 2723.9540 0.0000 0.0000 52102.6583 -109633.8319 299.4347 -161736.4902 -109271.8373 298.4067 43.1444 69.6429 762314.8835 2.5958 2.6158 PRESSURE: 4703600 7.80627 68.6647 47.7313 68.6636 -435.913 -238.696 47.7314 -238.696 -146.22 GPRESSURE: 4703600 49.4903 -4.96363 -57.296 73.1974 -348.524 -269.86 167.856 -40.1483 -190.296 PRESSAVG: 4703600 -2.24578 -42.994 36.055 -42.994 1.37471 -42.2107 36.0551 -42.2107 -3.96563 GPRESSAVG: 4703600 -1.94017 -40.8391 37.5843 -41.7946 0.470331 -42.9136 38.1829 -42.6582 -3.94205 TIMING: 4703600 CPU: 14688.3, 0.00311126/step Wall: 14688.3, 0.00311126/step, 0.25616 hours remaining, 233.750000 MB of memory in use. ENERGY: 4703600 4052.7531 20436.6268 14404.6043 254.4172 -203143.1857 2370.9344 0.0000 0.0000 51953.7055 -109670.1446 298.5787 -161623.8500 -109304.4924 298.8521 -191.4423 -163.1100 761538.1074 -1.6122 -1.8040 PRESSURE: 4703800 -279.064 -77.0364 139.647 -77.0362 203.135 109.629 139.646 109.629 -252.966 GPRESSURE: 4703800 -243.113 -51.1327 118.16 -82.9088 290.589 11.4551 31.767 125.37 -279.187 PRESSAVG: 4703800 31.7189 -36.5655 10.8697 -36.5655 -35.515 -25.3823 10.8697 -25.3824 5.42179 GPRESSAVG: 4703800 31.17 -38.8902 8.36539 -35.2021 -34.7265 -26.9324 10.3523 -25.2781 5.33205 TIMING: 4703800 CPU: 14688.9, 0.00314672/step Wall: 14688.9, 0.00314672/step, 0.258905 hours remaining, 233.738281 MB of memory in use. ENERGY: 4703800 3970.6724 20538.0855 14404.6264 237.8075 -203092.6439 2360.9842 0.0000 0.0000 52034.8770 -109545.5908 299.0452 -161580.4679 -109179.4853 298.6940 -109.6312 -77.2374 762526.7172 0.5419 0.5919 PRESSURE: 4704000 18.505 17.8114 -23.3382 17.8119 -148.923 -59.8608 -23.3381 -59.8607 -98.7163 GPRESSURE: 4704000 -72.3352 24.3983 -76.1455 -38.0762 -63.1957 -107.125 -87.7064 70.1194 -29.726 PRESSAVG: 4704000 17.9206 7.60385 -20.6538 7.60382 5.25532 -19.7101 -20.6538 -19.7102 17.993 GPRESSAVG: 4704000 16.4045 8.3099 -18.6852 8.71611 5.54475 -19.1295 -21.8126 -18.4052 19.2416 TIMING: 4704000 CPU: 14689.5, 0.00313345/step Wall: 14689.5, 0.00313345/step, 0.25764 hours remaining, 233.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4704000 3990.2338 20665.0640 14382.1302 257.0255 -202968.9568 2379.8264 0.0000 0.0000 51888.7287 -109405.9482 298.2052 -161294.6769 -109051.8368 299.0184 -76.3780 -55.0856 761955.8426 13.7230 13.7303 PRESSURE: 4704200 243.952 -114.587 -129.132 -114.587 -58.8914 -95.4846 -129.132 -95.485 -28.5653 GPRESSURE: 4704200 256.406 -177.312 -177.113 13.4478 -31.3396 12.9981 -121.764 -209.635 4.34958 PRESSAVG: 4704200 82.7836 2.1532 -25.5077 2.15325 -47.0625 14.2787 -25.5077 14.2788 -3.35202 GPRESSAVG: 4704200 84.6787 0.452045 -26.1738 0.800089 -48.4067 14.4356 -24.9149 12.7386 -3.8298 TIMING: 4704200 CPU: 14690.2, 0.00313965/step Wall: 14690.2, 0.00313965/step, 0.257974 hours remaining, 233.750000 MB of memory in use. ENERGY: 4704200 4012.9703 20318.1694 14369.8893 225.2885 -203306.3255 2713.1065 0.0000 0.0000 52110.1953 -109556.7062 299.4780 -161666.9015 -109192.2304 299.0292 52.1652 76.4720 762717.9562 10.7897 10.8141 LDB: ============= START OF LOAD BALANCING ============== 14702.6 LDB: ============== END OF LOAD BALANCING =============== 14702.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14702.6 LDB: ============= START OF LOAD BALANCING ============== 14702.9 LDB: Largest compute 7060 load 0.030735 is 15.7% of average load 0.195364 LDB: Average compute 0.004369 is 2.2% of average load 0.195364 LDB: TIME 14702.9 LOAD: AVG 0.195364 MAX 0.214211 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.543 MB LDB: TIME 14702.9 LOAD: AVG 0.195364 MAX 0.214211 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.746 MB LDB: TIME 14702.9 LOAD: AVG 0.195364 MAX 0.214211 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.746 MB LDB: ============== END OF LOAD BALANCING =============== 14702.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14703 PRESSURE: 4704400 -38.1961 -48.3429 -53.9112 -48.3433 71.4169 150.956 -53.9118 150.956 -311.919 GPRESSURE: 4704400 -118.504 -33.3458 26.5333 -110.39 147.111 103.647 -14.9051 19.8516 -207.278 PRESSAVG: 4704400 -3.32027 -23.7985 -3.61765 -23.7985 3.44838 -16.0368 -3.61761 -16.0369 -11.0948 GPRESSAVG: 4704400 -4.63735 -22.0187 -3.50734 -25.9349 5.03233 -16.2244 -3.99215 -15.4807 -11.3843 TIMING: 4704400 CPU: 14690.8, 0.00318204/step Wall: 14690.8, 0.00318204/step, 0.26128 hours remaining, 234.117188 MB of memory in use. ENERGY: 4704400 3932.0211 20561.1109 14404.3943 248.5924 -203379.5502 2711.4228 0.0000 0.0000 51858.8675 -109663.1412 298.0336 -161522.0087 -109308.1365 298.5333 -92.8993 -59.5571 762896.1559 -3.6556 -3.6631 PRESSURE: 4704600 -222.712 -218.615 127.152 -218.615 -405.701 65.1886 127.152 65.1888 -414.639 GPRESSURE: 4704600 -163.271 -188.033 131.078 -228.531 -325.402 59.6066 108.555 73.8725 -444.792 PRESSAVG: 4704600 -14.4292 -31.0979 26.3735 -31.0979 -52.8259 16.6767 26.3736 16.6767 7.57275 GPRESSAVG: 4704600 -12.398 -32.9923 27.2953 -29.4933 -53.9635 18.5423 26.7266 15.2895 6.54829 TIMING: 4704600 CPU: 14691.4, 0.00308513/step Wall: 14691.4, 0.00308513/step, 0.253152 hours remaining, 234.320312 MB of memory in use. ENERGY: 4704600 3969.5354 20437.7384 14302.2821 247.3790 -203282.8463 2618.4711 0.0000 0.0000 51920.9076 -109786.5327 298.3902 -161707.4404 -109433.0963 298.8147 -347.6839 -311.1548 764112.7339 -19.8941 -19.9377 PRESSURE: 4704800 -156.734 86.2435 -94.8156 86.2444 104.583 -90.3503 -94.8156 -90.3493 -158.501 GPRESSURE: 4704800 -72.1197 137.854 -123.162 83.1779 59.6625 -112.67 -139.244 13.8336 -119.071 PRESSAVG: 4704800 18.2274 12.7055 4.76175 12.7055 -14.7035 35.6221 4.76182 35.6221 -12.1654 GPRESSAVG: 4704800 17.6055 13.5977 4.93529 11.2963 -15.0871 33.5825 4.88277 33.4806 -11.6759 TIMING: 4704800 CPU: 14692, 0.00310728/step Wall: 14692, 0.00310728/step, 0.254797 hours remaining, 234.320312 MB of memory in use. ENERGY: 4704800 3884.5815 20490.7668 14425.7696 237.9915 -203275.4841 2532.7223 0.0000 0.0000 51978.0144 -109725.6381 298.7184 -161703.6525 -109366.9307 298.5689 -70.2172 -43.8427 762853.6859 -2.8805 -3.0525 PRESSURE: 4705000 -430.444 94.8413 89.8135 94.842 191.437 -73.5213 89.8137 -73.5208 -158.492 GPRESSURE: 4705000 -251.02 175.339 135.283 103.791 155.005 -49.1945 71.3973 -161.445 -220.485 PRESSAVG: 4705000 12.4435 -8.62184 -2.67786 -8.62188 21.2726 -11.8488 -2.67786 -11.8487 8.28494 GPRESSAVG: 4705000 12.7205 -7.44905 -0.970427 -7.89747 20.7251 -10.4559 -4.15564 -11.8868 9.01681 TIMING: 4705000 CPU: 14692.6, 0.00310581/step Wall: 14692.6, 0.00310581/step, 0.254504 hours remaining, 234.453125 MB of memory in use. ENERGY: 4705000 4001.9186 20482.2951 14398.0633 236.1140 -203266.2332 2664.4706 0.0000 0.0000 51834.1631 -109649.2085 297.8916 -161483.3716 -109291.8152 298.5726 -132.4995 -105.5000 762923.9063 14.0003 14.1541 PRESSURE: 4705200 109.691 114.62 24.7692 114.619 -453.352 50.1378 24.7692 50.1377 90.7915 GPRESSURE: 4705200 157.227 182.643 103.102 122.181 -423.728 -91.243 128.109 97.3671 94.0096 PRESSAVG: 4705200 -18.0792 34.5625 65.9588 34.5625 -3.02762 -18.8364 65.9588 -18.8363 11.8953 GPRESSAVG: 4705200 -18.587 32.2818 63.6076 35.5864 -2.27556 -22.6968 67.8785 -14.3274 12.5314 TIMING: 4705200 CPU: 14693.3, 0.00312948/step Wall: 14693.3, 0.00312948/step, 0.25627 hours remaining, 234.464844 MB of memory in use. ENERGY: 4705200 3984.8472 20348.1536 14344.5861 227.1639 -203197.6571 2719.7621 0.0000 0.0000 51918.3461 -109654.7980 298.3754 -161573.1441 -109293.2676 298.3721 -84.2898 -57.4970 762255.9083 -3.0705 -2.7770 PRESSURE: 4705400 76.6758 -18.6145 -101.179 -18.6145 210.995 -20.8167 -101.18 -20.8169 230.911 GPRESSURE: 4705400 181.219 -51.0205 -128.281 -107.986 222.768 -12.1608 -148.872 29.6317 180.686 PRESSAVG: 4705400 4.71309 -8.68002 39.4768 -8.68001 9.31018 2.38524 39.4768 2.38517 11.8908 GPRESSAVG: 4705400 4.46432 -8.25483 42.2165 -8.67756 9.33424 4.7604 37.9774 -0.276682 12.1494 TIMING: 4705400 CPU: 14693.9, 0.00311605/step Wall: 14693.9, 0.00311605/step, 0.254996 hours remaining, 234.464844 MB of memory in use. ENERGY: 4705400 3928.6154 20466.1434 14416.8169 258.8858 -203299.2929 2846.3671 0.0000 0.0000 51665.1190 -109717.3452 296.9201 -161382.4642 -109367.4361 298.5083 172.8608 194.8910 761824.1455 8.6380 8.6493 PRESSURE: 4705600 -127.766 -129.075 -39.0545 -129.076 195.48 -153.791 -39.0552 -153.791 -23.3658 GPRESSURE: 4705600 -150.446 -55.2064 -36.9725 -53.9075 261.655 -31.2849 30.1765 -170.489 6.33188 PRESSAVG: 4705600 -35.9896 42.866 14.8206 42.8661 -1.88678 30.7035 14.8206 30.7035 -3.18708 GPRESSAVG: 4705600 -36.4505 44.0871 12.6117 42.7585 -0.602713 30.8559 16.1231 30.009 -4.42422 TIMING: 4705600 CPU: 14694.5, 0.00312404/step Wall: 14694.5, 0.00312404/step, 0.255477 hours remaining, 234.464844 MB of memory in use. ENERGY: 4705600 3990.2350 20385.8687 14334.2251 223.4903 -203331.6562 2699.5373 0.0000 0.0000 52064.6032 -109633.6966 299.2160 -161698.2999 -109278.7651 298.3729 14.7827 39.1803 761870.5158 -13.6878 -13.8258 PRESSURE: 4705800 -88.5411 -71.8391 -114.927 -71.8381 107.742 194.068 -114.927 194.07 -0.256498 GPRESSURE: 4705800 -14.2 -65.2566 -118.681 -4.77746 98.9416 191.231 -32.65 103.955 23.3521 PRESSAVG: 4705800 -37.3141 -11.3344 -34.2698 -11.3345 67.9796 34.2003 -34.2697 34.2003 26.9608 GPRESSAVG: 4705800 -36.4858 -12.906 -34.9014 -11.4885 66.8604 35.2745 -35.2567 33.5845 27.4936 TIMING: 4705800 CPU: 14695.1, 0.0031254/step Wall: 14695.1, 0.0031254/step, 0.255415 hours remaining, 234.453125 MB of memory in use. ENERGY: 4705800 3965.3957 20497.0273 14351.6071 251.1559 -203502.1133 2800.0676 0.0000 0.0000 52054.3561 -109582.5036 299.1571 -161636.8597 -109221.1898 298.6713 6.3147 36.0312 763215.3955 19.2087 19.2894 PRESSURE: 4706000 -35.3787 81.7824 3.21702 81.7818 -314.521 17.4387 3.21708 17.4393 -146.854 GPRESSURE: 4706000 -23.1336 24.2586 59.4572 -28.8408 -242.298 -10.9777 11.2453 17.562 -147.777 PRESSAVG: 4706000 35.1418 -12.4995 -33.5402 -12.4995 5.02093 35.2397 -33.5401 35.2396 12.1264 GPRESSAVG: 4706000 34.3407 -11.5493 -32.8938 -11.5823 7.11095 32.9955 -32.4028 36.0331 11.275 TIMING: 4706000 CPU: 14695.8, 0.0031321/step Wall: 14695.8, 0.0031321/step, 0.255788 hours remaining, 234.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4706000 4004.4327 20463.0120 14403.4389 261.3314 -203334.6659 2625.0551 0.0000 0.0000 52042.8371 -109534.5587 299.0909 -161577.3958 -109162.7432 299.3318 -165.5847 -137.7362 763167.0235 17.4297 17.5756 PRESSURE: 4706200 28.6068 198.62 97.8178 198.62 -165.242 12.7741 97.818 12.7744 -224.902 GPRESSURE: 4706200 59.5438 177.038 35.9625 211.418 -122.493 -4.44342 44.0759 11.7638 -208.518 PRESSAVG: 4706200 19.7503 2.70291 -16.7735 2.70293 -29.0063 26.649 -16.7735 26.649 32.8961 GPRESSAVG: 4706200 19.3015 3.20576 -15.6714 1.11042 -29.3147 28.0332 -18.008 26.305 33.5304 TIMING: 4706200 CPU: 14696.4, 0.00310717/step Wall: 14696.4, 0.00310717/step, 0.253579 hours remaining, 234.464844 MB of memory in use. ENERGY: 4706200 3973.5478 20510.5764 14454.2954 232.3615 -203549.7586 2875.9879 0.0000 0.0000 52132.0597 -109370.9298 299.6037 -161502.9896 -109008.9801 299.0684 -120.5122 -90.4888 763370.4668 7.8801 7.8391 PRESSURE: 4706400 -264.126 24.9563 11.2186 24.9566 -402.453 -56.7285 11.2184 -56.7282 -130.84 GPRESSURE: 4706400 -232.093 32.6901 -7.55061 16.0339 -303.914 -92.0754 -26.9387 -60.8092 -169.375 PRESSAVG: 4706400 7.66891 9.43456 9.29491 9.43452 -52.3379 -0.306064 9.29495 -0.306029 -11.4661 GPRESSAVG: 4706400 7.64763 9.67165 7.66101 11.2781 -52.3462 -0.540807 9.37233 -0.735763 -11.3959 TIMING: 4706400 CPU: 14697, 0.00311732/step Wall: 14697, 0.00311732/step, 0.254235 hours remaining, 234.464844 MB of memory in use. ENERGY: 4706400 3962.4905 20373.5233 14335.8995 254.1586 -203064.9512 2405.8616 0.0000 0.0000 52257.5918 -109475.4258 300.3251 -161733.0176 -109109.9277 299.0409 -265.8063 -235.1272 763616.3355 -18.7117 -18.6981 PRESSURE: 4706600 115.865 132.027 135.931 132.027 -78.3525 121.277 135.932 121.278 -67.5593 GPRESSURE: 4706600 196.85 25.8276 93.1016 229.896 -49.8017 125.978 236.648 175.078 -85.5022 PRESSAVG: 4706600 68.3615 17.4597 -34.5255 17.4597 -1.86816 -17.3543 -34.5255 -17.3543 -3.48856 GPRESSAVG: 4706600 68.9877 18.6415 -32.0915 15.6747 -2.34896 -17.5192 -34.6497 -16.0699 -3.92703 TIMING: 4706600 CPU: 14697.6, 0.00311945/step Wall: 14697.6, 0.00311945/step, 0.254235 hours remaining, 234.464844 MB of memory in use. ENERGY: 4706600 3964.8611 20461.1362 14443.2025 249.3376 -203676.1885 2873.0083 0.0000 0.0000 52299.7576 -109384.8850 300.5674 -161684.6426 -109023.3659 299.4193 -10.0158 20.5154 761130.3026 21.0016 20.9039 PRESSURE: 4706800 437.041 85.3321 170.769 85.3325 116.964 10.8682 170.769 10.8689 67.4403 GPRESSURE: 4706800 387.922 45.9025 171.809 82.612 158.658 51.4867 -36.3342 142.274 123.942 PRESSAVG: 4706800 28.3797 41.8465 19.2212 41.8466 -39.9626 1.84985 19.2212 1.84992 -11.4122 GPRESSAVG: 4706800 27.6069 40.4829 18.7079 42.0183 -39.2438 1.67835 17.7071 3.58696 -11.4992 TIMING: 4706800 CPU: 14698.3, 0.00311101/step Wall: 14698.3, 0.00311101/step, 0.253374 hours remaining, 234.464844 MB of memory in use. ENERGY: 4706800 3959.1520 20486.2125 14365.7390 255.9166 -203349.8192 2779.2371 0.0000 0.0000 52061.6550 -109441.9071 299.1990 -161503.5620 -109076.6778 299.6816 207.1484 223.5074 762649.5847 -7.6650 -7.7121 PRESSURE: 4707000 -148.942 -94.0253 -136.683 -94.0252 98.4568 -24.1602 -136.683 -24.1607 -249.427 GPRESSURE: 4707000 -164.671 -69.138 -69.6758 -89.454 133.029 58.3954 4.2034 -97.9628 -180.022 PRESSAVG: 4707000 -6.31732 20.7612 -31.8515 20.7612 42.4986 20.4776 -31.8515 20.4776 2.04445 GPRESSAVG: 4707000 -5.13713 19.0346 -33.6124 21.247 41.2336 21.9602 -30.7361 18.0467 2.12047 TIMING: 4707000 CPU: 14698.9, 0.00312736/step Wall: 14698.9, 0.00312736/step, 0.254532 hours remaining, 234.464844 MB of memory in use. ENERGY: 4707000 4039.4787 20528.1998 14424.3343 250.0214 -203426.6929 2739.7660 0.0000 0.0000 52134.6269 -109310.2658 299.6184 -161444.8927 -108946.9061 299.8392 -99.9704 -70.5545 760906.5605 12.7419 12.7390 PRESSURE: 4707200 327.201 -127.796 -113.248 -127.797 372.044 150.996 -113.248 150.996 5.47039 GPRESSURE: 4707200 341.614 -132.942 -122.956 -97.8856 347.743 69.328 -84.5527 114.877 108.456 PRESSAVG: 4707200 -37.1629 3.36631 14.2188 3.36623 29.8786 -25.5899 14.2188 -25.59 -3.47864 GPRESSAVG: 4707200 -37.6369 5.75595 15.0344 2.81806 29.953 -25.514 15.414 -23.9975 -2.85089 TIMING: 4707200 CPU: 14699.5, 0.00312938/step Wall: 14699.5, 0.00312938/step, 0.254523 hours remaining, 234.464844 MB of memory in use. ENERGY: 4707200 3899.2554 20582.1355 14399.5326 257.3815 -203669.0480 3070.4840 0.0000 0.0000 51999.6190 -109460.6399 298.8425 -161460.2589 -109101.4209 299.1371 234.9050 265.9375 761868.9465 -3.5876 -3.5116 PRESSURE: 4707400 -69.61 16.2099 -50.7615 16.2095 -179.875 31.6609 -50.7619 31.6613 -320.129 GPRESSURE: 4707400 -26.0255 -41.0968 13.8637 -9.31201 -56.4045 144.272 -193.572 -22.6858 -387.754 PRESSAVG: 4707400 11.3827 -15.6104 6.09713 -15.6104 -3.99319 -6.14316 6.09705 -6.14326 -4.07221 GPRESSAVG: 4707400 10.9995 -16.1398 5.7774 -14.36 -3.28588 -5.51996 3.56914 -6.94847 -4.69654 TIMING: 4707400 CPU: 14700.1, 0.00310652/step Wall: 14700.1, 0.00310652/step, 0.252491 hours remaining, 234.464844 MB of memory in use. ENERGY: 4707400 4167.1878 20516.7863 14374.7892 223.3506 -203707.7572 2794.1781 0.0000 0.0000 52313.6885 -109317.7767 300.6475 -161631.4651 -108968.8026 299.1374 -189.8712 -156.7281 762427.7859 1.1058 1.0057 PRESSURE: 4707600 -214.457 -25.9719 104.372 -25.9724 302.87 3.79702 104.372 3.79684 51.9312 GPRESSURE: 4707600 -98.7108 -47.2322 65.8232 83.2662 215.539 55.8679 130.514 -6.13748 114.162 PRESSAVG: 4707600 -49.8359 5.34709 19.9773 5.34718 83.3497 28.4841 19.9773 28.4842 -9.1225 GPRESSAVG: 4707600 -48.8328 3.97928 18.16 5.42412 81.6671 27.5816 21.8254 30.1486 -8.457 TIMING: 4707600 CPU: 14700.8, 0.00312068/step Wall: 14700.8, 0.00312068/step, 0.253468 hours remaining, 234.464844 MB of memory in use. ENERGY: 4707600 3989.9301 20495.5401 14450.1141 232.0293 -203173.3498 2895.8532 0.0000 0.0000 51736.4208 -109373.4622 297.3299 -161109.8830 -109007.5189 299.7331 46.7814 76.9965 762761.9055 8.1304 8.1258 PRESSURE: 4707800 95.4339 -188.092 -38.1186 -188.093 405.079 -230.2 -38.1183 -230.2 101.445 GPRESSURE: 4707800 125.152 -190.295 -54.541 -196.669 361.284 -270.708 14.067 -207.971 195.992 PRESSAVG: 4707800 -36.3064 -9.21101 -6.9922 -9.21103 29.9394 19.7817 -6.99226 19.7818 3.52342 GPRESSAVG: 4707800 -36.409 -8.29549 -5.106 -9.85192 30.3212 20.1044 -6.56646 19.2765 2.94099 TIMING: 4707800 CPU: 14701.4, 0.0031224/step Wall: 14701.4, 0.0031224/step, 0.253435 hours remaining, 234.464844 MB of memory in use. ENERGY: 4707800 3924.8886 20532.2538 14403.3290 225.2396 -203642.0637 3076.0738 0.0000 0.0000 52032.7308 -109447.5481 299.0328 -161480.2789 -109086.8200 299.1935 200.6524 227.4759 763784.4746 -0.9479 -1.0489 PRESSURE: 4708000 -122.184 -13.7529 36.4601 -13.7518 -281.05 -88.841 36.459 -88.8413 -392.591 GPRESSURE: 4708000 -117.06 -17.8188 46.5184 81.1926 -190.794 -29.253 -11.9493 -81.4624 -404.503 PRESSAVG: 4708000 -64.897 19.5327 9.24184 19.5328 57.2034 -7.3629 9.24184 -7.36295 -14.5897 GPRESSAVG: 4708000 -65.5682 19.3507 9.10129 18.375 57.2659 -7.6095 9.39288 -9.80151 -14.1834 TIMING: 4708000 CPU: 14702, 0.00312515/step Wall: 14702, 0.00312515/step, 0.253485 hours remaining, 234.453125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4708000 4002.0885 20507.8649 14361.6349 244.6944 -202840.1972 2334.2961 0.0000 0.0000 51829.2471 -109560.3713 297.8634 -161389.6184 -109205.0379 298.7234 -265.2751 -237.4522 762672.3631 -7.4278 -7.4952 PRESSURE: 4708200 -514.729 -76.6322 7.06357 -76.6318 -293.045 68.1111 7.06283 68.1116 -368.475 GPRESSURE: 4708200 -405.234 -127.398 26.0827 -14.1146 -348.18 72.3596 83.8232 220.253 -328.523 PRESSAVG: 4708200 -6.47662 4.42207 -7.20582 4.42208 -29.0089 -6.07334 -7.20582 -6.0733 -14.8982 GPRESSAVG: 4708200 -4.96454 5.28179 -6.14494 4.9316 -29.0478 -5.25733 -9.31292 -5.33971 -15.9421 TIMING: 4708200 CPU: 14702.6, 0.00309401/step Wall: 14702.6, 0.00309401/step, 0.250786 hours remaining, 234.464844 MB of memory in use. ENERGY: 4708200 3986.2462 20480.5034 14371.6402 224.1344 -203154.4414 2442.0195 0.0000 0.0000 51943.5418 -109706.3560 298.5202 -161649.8978 -109350.1706 298.9899 -392.0832 -360.6457 762153.4466 -16.7946 -16.6515 LDB: ============= START OF LOAD BALANCING ============== 14715.1 LDB: ============== END OF LOAD BALANCING =============== 14715.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14715.1 LDB: ============= START OF LOAD BALANCING ============== 14715.4 LDB: Largest compute 7038 load 0.031616 is 16.2% of average load 0.195487 LDB: Average compute 0.004374 is 2.2% of average load 0.195487 LDB: TIME 14715.4 LOAD: AVG 0.195487 MAX 0.213184 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.48 MB LDB: TIME 14715.4 LOAD: AVG 0.195487 MAX 0.213184 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.48 MB LDB: TIME 14715.4 LOAD: AVG 0.195487 MAX 0.213184 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.48 MB LDB: ============== END OF LOAD BALANCING =============== 14715.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14715.4 PRESSURE: 4708400 486.962 -86.5913 112.962 -86.5915 129.42 41.3528 112.961 41.354 450.821 GPRESSURE: 4708400 486.246 -111.911 122.863 -47.7031 216.469 81.862 111.576 47.0825 442.01 PRESSAVG: 4708400 -7.56349 -68.9112 38.2672 -68.9113 9.95094 60.0453 38.2672 60.0453 -6.13443 GPRESSAVG: 4708400 -8.24077 -67.8083 39.8541 -68.6129 10.3067 59.9776 37.6522 59.8486 -5.16326 TIMING: 4708400 CPU: 14703.3, 0.00318155/step Wall: 14703.3, 0.00318155/step, 0.257706 hours remaining, 233.605469 MB of memory in use. ENERGY: 4708400 4023.8552 20418.3624 14423.7000 257.6366 -203964.7771 3110.7486 0.0000 0.0000 52062.6128 -109667.8614 299.2046 -161730.4742 -109300.4912 298.5597 355.7345 381.5750 762219.1488 -1.2490 -1.0324 PRESSURE: 4708600 -213.492 -286.527 34.1083 -286.526 -322.153 -92.7871 34.1082 -92.7861 2.10862 GPRESSURE: 4708600 -222.102 -233.84 43.1658 -194.786 -182.136 -186.204 104.046 -10.6305 -53.1598 PRESSAVG: 4708600 62.719 -20.8364 55.0313 -20.8364 -68.0011 -34.3046 55.0312 -34.3046 11.9022 GPRESSAVG: 4708600 62.9529 -22.2626 52.3258 -20.593 -68.5474 -36.1392 57.7117 -34.8722 11.6053 TIMING: 4708600 CPU: 14703.9, 0.00310096/step Wall: 14703.9, 0.00310096/step, 0.251006 hours remaining, 233.605469 MB of memory in use. ENERGY: 4708600 3919.0583 20683.0791 14465.7118 270.1235 -203487.9460 2580.2870 0.0000 0.0000 51808.7226 -109760.9637 297.7454 -161569.6863 -109395.3573 298.3110 -177.8453 -152.4658 760209.1304 2.2067 2.0036 PRESSURE: 4708800 -88.9471 10.7154 -41.5755 10.7152 347.669 57.2594 -41.5745 57.2594 167.204 GPRESSURE: 4708800 -21.3575 -89.0673 -177.908 71.696 318.456 108.725 50.7777 137.598 214.874 PRESSAVG: 4708800 21.7211 -22.2309 22.1979 -22.231 17.0295 -7.93809 22.1979 -7.93805 24.8937 GPRESSAVG: 4708800 21.4427 -22.0005 22.4294 -22.414 17.9758 -7.1539 18.5038 -8.07045 23.8281 TIMING: 4708800 CPU: 14704.5, 0.00308852/step Wall: 14704.5, 0.00308852/step, 0.249827 hours remaining, 233.605469 MB of memory in use. ENERGY: 4708800 3957.4456 20533.1361 14454.6168 247.0698 -204341.4336 3238.0339 0.0000 0.0000 52004.6742 -109906.4571 298.8716 -161911.1314 -109544.1699 298.6999 141.9753 170.6575 759229.8682 21.2147 21.0822 PRESSURE: 4709000 274.899 -6.92122 -90.7045 -6.92065 -207.262 126.563 -90.7046 126.562 309.49 GPRESSURE: 4709000 352.403 -4.19608 -247.123 11.7849 -189.995 169.028 -46.0684 44.1646 301.667 PRESSAVG: 4709000 6.69286 -12.4733 -3.67259 -12.4732 -9.96497 0.0327623 -3.67259 0.0328001 -12.8159 GPRESSAVG: 4709000 4.57387 -10.4007 -4.21625 -12.4098 -10.183 2.42862 -1.49081 1.37674 -10.7761 TIMING: 4709000 CPU: 14705.1, 0.00311058/step Wall: 14705.1, 0.00311058/step, 0.251439 hours remaining, 233.605469 MB of memory in use. ENERGY: 4709000 3976.9596 20452.2362 14496.0914 273.4186 -203771.3949 2870.0733 0.0000 0.0000 51975.1498 -109727.4660 298.7019 -161702.6158 -109364.6860 298.5552 125.7090 154.6918 761079.4716 -5.3627 -5.4618 PRESSURE: 4709200 -85.9669 -307.928 -0.426173 -307.927 -252.026 124.738 -0.426533 124.738 -304.953 GPRESSURE: 4709200 -25.4102 -353.423 28.7649 -398.21 -200.849 17.8832 4.36588 116.945 -325.313 PRESSAVG: 4709200 11.8254 3.32198 25.556 3.322 -12.6438 -2.76349 25.5561 -2.76351 1.3047 GPRESSAVG: 4709200 12.9596 0.96471 26.5394 3.43526 -13.148 -6.59851 26.0393 -1.07522 0.934747 TIMING: 4709200 CPU: 14705.7, 0.00310999/step Wall: 14705.7, 0.00310999/step, 0.251218 hours remaining, 233.792969 MB of memory in use. ENERGY: 4709200 3941.1063 20595.2753 14421.4382 248.1149 -203360.6675 2628.8734 0.0000 0.0000 51831.9594 -109693.9001 297.8790 -161525.8595 -109336.5093 298.3311 -214.3153 -183.8573 762646.8349 0.1621 0.2488 PRESSURE: 4709400 -143.639 175.001 126.763 175.002 -226.88 126.753 126.763 126.752 52.9409 GPRESSURE: 4709400 -102.803 148.359 100.405 18.8341 -159.596 149.825 85.9524 159.09 39.7776 PRESSAVG: 4709400 54.896 -3.8701 22.432 -3.8701 -36.4902 21.5258 22.432 21.5258 -8.09003 GPRESSAVG: 4709400 55.0554 -4.20219 20.5259 -5.21045 -37.0062 25.2899 21.369 18.3788 -8.1766 TIMING: 4709400 CPU: 14706.4, 0.00311937/step Wall: 14706.4, 0.00311937/step, 0.251803 hours remaining, 233.804688 MB of memory in use. ENERGY: 4709400 3933.2418 20427.9688 14435.3281 240.7604 -203320.4593 2534.8869 0.0000 0.0000 51991.2298 -109757.0435 298.7943 -161748.2733 -109404.8922 298.6427 -105.8595 -74.2072 761179.1504 3.4386 3.2909 PRESSURE: 4709600 76.9882 -17.3414 -69.3432 -17.3418 -234.519 -199.102 -69.3439 -199.102 208.067 GPRESSURE: 4709600 94.9029 -74.2408 -66.9135 36.214 -169.128 -216.313 -18.1212 -242.347 191.608 PRESSAVG: 4709600 22.5321 -4.86516 -15.3385 -4.86517 7.9997 29.6031 -15.3385 29.6032 8.81362 GPRESSAVG: 4709600 20.852 -3.8752 -13.6405 -3.46432 9.507 27.0838 -13.8996 30.0582 8.53266 TIMING: 4709600 CPU: 14707, 0.00309851/step Wall: 14707, 0.00309851/step, 0.249947 hours remaining, 233.804688 MB of memory in use. ENERGY: 4709600 3985.9790 20397.8238 14451.3250 257.1255 -203219.9372 2452.3238 0.0000 0.0000 52106.1256 -109569.2344 299.4546 -161675.3600 -109200.8417 298.5300 16.8454 39.1276 761547.7169 13.1151 12.9639 PRESSURE: 4709800 -263.918 -153.659 -285.997 -153.66 -6.09636 -186.479 -285.997 -186.478 -201.15 GPRESSURE: 4709800 -173.799 -76.4873 -178.653 -91.9253 -30.1746 -160.515 -296.443 -272.477 -180.655 PRESSAVG: 4709800 40.8016 -23.8021 16.5974 -23.8021 13.1625 45.15 16.5974 45.15 11.7594 GPRESSAVG: 4709800 43.0302 -24.1733 18.939 -24.063 10.7624 45.5969 16.0708 45.4878 11.5503 TIMING: 4709800 CPU: 14707.6, 0.00309403/step Wall: 14707.6, 0.00309403/step, 0.249413 hours remaining, 233.804688 MB of memory in use. ENERGY: 4709800 3931.8466 20729.7370 14463.3332 251.6104 -203528.3894 2750.8113 0.0000 0.0000 51985.2267 -109415.8243 298.7598 -161401.0510 -109055.5642 298.9504 -157.0549 -128.2096 761751.3588 21.9078 21.7809 PRESSURE: 4710000 -138.637 106.178 154.951 106.177 262.382 189.311 154.951 189.311 -36.9826 GPRESSURE: 4710000 -19.7131 76.9793 181.332 143.605 250.773 167.343 120.505 166.761 -64.9388 PRESSAVG: 4710000 -34.396 -44.8336 17.9239 -44.8336 17.5018 60.2856 17.924 60.2856 -5.96718 GPRESSAVG: 4710000 -35.3108 -46.2687 16.8922 -41.8336 19.5564 61.2621 16.9698 60.6926 -7.21115 TIMING: 4710000 CPU: 14708.2, 0.00310741/step Wall: 14708.2, 0.00310741/step, 0.250319 hours remaining, 233.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4710000 3964.2809 20506.2277 14450.9595 243.8693 -203097.3209 2430.7959 0.0000 0.0000 52152.6857 -109348.5019 299.7222 -161501.1876 -108979.0402 298.9200 28.9206 55.3737 761551.1838 -7.6204 -7.6552 PRESSURE: 4710200 -74.9584 8.86824 -32.4318 8.86833 -82.3443 -174.295 -32.4317 -174.296 370.726 GPRESSURE: 4710200 -120.875 40.9513 -148.069 -27.9791 -21.0298 -224.06 -48.6312 -247.098 434.058 PRESSAVG: 4710200 15.2342 -41.1974 -5.32158 -41.1974 49.1504 12.7775 -5.32159 12.7775 -36.744 GPRESSAVG: 4710200 14.7089 -40.7061 -7.83105 -43.4554 48.8359 11.8081 -4.57829 13.7114 -35.4307 TIMING: 4710200 CPU: 14708.9, 0.00313256/step Wall: 14708.9, 0.00313256/step, 0.252171 hours remaining, 233.804688 MB of memory in use. ENERGY: 4710200 4015.9916 20616.0313 14478.7489 253.5461 -203290.4094 2682.7593 0.0000 0.0000 51973.4986 -109269.8335 298.6924 -161243.3321 -108903.9173 300.0337 71.1409 97.3843 760987.5806 9.2136 9.3714 PRESSURE: 4710400 100.027 -185.488 50.4002 -185.488 -247.049 31.6909 50.3998 31.6905 -55.8387 GPRESSURE: 4710400 187.35 -208.067 78.7981 -19.1455 -145.088 -39.7446 9.15554 56.8462 -160.398 PRESSAVG: 4710400 36.8582 -42.6301 12.6306 -42.6301 -41.0386 -17.5767 12.6306 -17.5767 -7.30985 GPRESSAVG: 4710400 36.5443 -42.0511 14.1837 -41.262 -40.9178 -17.9538 11.5775 -19.1917 -7.06608 TIMING: 4710400 CPU: 14709.5, 0.00312162/step Wall: 14709.5, 0.00312162/step, 0.251117 hours remaining, 233.804688 MB of memory in use. ENERGY: 4710400 3975.7986 20539.6346 14453.4966 251.3979 -203080.3387 2577.9646 0.0000 0.0000 52244.5763 -109037.4701 300.2503 -161282.0463 -108680.4487 299.8310 -67.6202 -39.3785 763434.7451 -3.8301 -3.8132 PRESSURE: 4710600 -72.3801 -131.583 87.5591 -131.583 -28.774 -37.0236 87.5589 -37.0249 207.257 GPRESSURE: 4710600 -148.53 -171.802 38.4364 -120.157 138.658 -70.2597 124.824 -201.102 208.535 PRESSAVG: 4710600 -9.75844 -23.4119 -21.9362 -23.4119 -9.1595 -60.4977 -21.9361 -60.4977 27.6197 GPRESSAVG: 4710600 -9.64445 -23.0854 -22.491 -25.5345 -8.6051 -59.6076 -19.8426 -61.3226 27.3574 TIMING: 4710600 CPU: 14710.1, 0.00312324/step Wall: 14710.1, 0.00312324/step, 0.251074 hours remaining, 233.804688 MB of memory in use. ENERGY: 4710600 4009.9496 20557.5096 14410.7004 255.9745 -203617.5663 3016.7428 0.0000 0.0000 52075.5313 -109291.1582 299.2788 -161366.6895 -108921.7761 299.8787 35.3678 66.2210 762456.5137 2.9006 3.0360 PRESSURE: 4710800 94.2293 -10.4076 159.343 -10.4075 -183.602 -96.2008 159.343 -96.1996 -39.3388 GPRESSURE: 4710800 39.5057 93.4126 59.3682 -152.6 -111.756 -27.6454 74.3838 -111.822 45.4571 PRESSAVG: 4710800 0.824499 22.8917 -19.5374 22.8917 -33.8115 -9.72428 -19.5373 -9.72429 -8.69495 GPRESSAVG: 4710800 0.00222987 22.7542 -18.8933 23.8753 -32.9898 -9.35859 -21.7672 -8.68363 -8.8337 TIMING: 4710800 CPU: 14710.7, 0.00311914/step Wall: 14710.7, 0.00311914/step, 0.250571 hours remaining, 233.804688 MB of memory in use. ENERGY: 4710800 4014.4780 20565.3256 14425.2429 255.4364 -203462.0569 2943.5040 0.0000 0.0000 51956.1396 -109301.9303 298.5926 -161258.0700 -108954.7600 299.3610 -42.9037 -8.9310 762237.8213 -13.8940 -13.9404 PRESSURE: 4711000 -245.157 -19.8703 -171.26 -19.8708 -228.966 3.21164 -171.261 3.21099 -397.565 GPRESSURE: 4711000 -202.54 -192.079 -191.794 -10.9306 -185.083 26.8838 -199.012 64.3811 -405.305 PRESSAVG: 4711000 -81.4024 -6.99151 -76.9747 -6.99152 24.8508 13.0201 -76.9747 13.0201 14.9775 GPRESSAVG: 4711000 -79.3186 -7.31614 -76.0912 -8.29072 23.594 11.6219 -76.6439 14.4835 14.3041 TIMING: 4711000 CPU: 14711.4, 0.00312457/step Wall: 14711.4, 0.00312457/step, 0.250833 hours remaining, 233.804688 MB of memory in use. ENERGY: 4711000 4091.3844 20654.4568 14472.3982 258.8057 -203405.2156 2993.3202 0.0000 0.0000 51927.5806 -109007.2696 298.4285 -160934.8502 -108655.4766 299.5054 -290.5627 -264.3092 763907.0214 -13.8581 -13.8068 PRESSURE: 4711200 -135.262 16.1281 -75.528 16.1273 -196.68 285.519 -75.5278 285.519 -302.104 GPRESSURE: 4711200 -48.1107 64.8663 -50.6816 -92.9463 -123.385 388.547 61.0141 228.351 -372.543 PRESSAVG: 4711200 -7.88722 -32.4995 1.79123 -32.4995 -0.960505 29.4 1.79117 29.4 29.0148 GPRESSAVG: 4711200 -8.01615 -31.7173 2.9507 -33.147 -1.84685 30.5004 2.02309 27.7674 30.2162 TIMING: 4711200 CPU: 14712, 0.00311189/step Wall: 14712, 0.00311189/step, 0.249643 hours remaining, 233.804688 MB of memory in use. ENERGY: 4711200 4041.0747 20542.6159 14448.8459 254.8307 -202757.6672 2351.0937 0.0000 0.0000 52138.1572 -108981.0491 299.6387 -161119.2063 -108621.7828 300.2477 -211.3487 -181.3463 763046.3295 6.7224 6.7844 PRESSURE: 4711400 -29.7052 -13.303 -106.344 -13.3036 45.0597 -86.2068 -106.345 -86.2073 -318.871 GPRESSURE: 4711400 -63.2013 -113.947 -25.5237 42.1457 176.46 -80.4696 9.97453 -32.0471 -332.925 PRESSAVG: 4711400 -23.6422 -21.9812 7.59604 -21.9812 30.6971 -16.2022 7.59611 -16.2022 8.31549 GPRESSAVG: 4711400 -24.4625 -22.0056 5.46232 -21.6619 31.958 -15.572 9.89105 -16.0792 8.30511 TIMING: 4711400 CPU: 14712.6, 0.00309858/step Wall: 14712.6, 0.00309858/step, 0.248403 hours remaining, 233.804688 MB of memory in use. ENERGY: 4711400 4049.6943 20668.5010 14448.8014 256.7920 -203110.9641 2622.1497 0.0000 0.0000 52097.1406 -108967.8852 299.4030 -161065.0257 -108603.2770 299.9130 -101.1723 -73.2222 762238.6120 5.1235 5.2669 PRESSURE: 4711600 39.8473 99.6419 -166.825 99.6427 108.091 307.333 -166.825 307.333 -23.8989 GPRESSURE: 4711600 56.8126 154.078 -262.14 -8.37211 190.953 345.692 -229.26 458.474 -36.7662 PRESSAVG: 4711600 0.851145 -28.1452 -98.9599 -28.1452 -3.38278 -17.7881 -98.9598 -17.7882 16.1027 GPRESSAVG: 4711600 1.82068 -27.2153 -98.7777 -28.3526 -3.82478 -18.5555 -99.8282 -16.433 15.5259 TIMING: 4711600 CPU: 14713.2, 0.00310568/step Wall: 14713.2, 0.00310568/step, 0.248799 hours remaining, 233.804688 MB of memory in use. ENERGY: 4711600 3975.4775 20487.9009 14449.4160 225.1872 -203133.2825 2772.2510 0.0000 0.0000 52093.7042 -109129.3457 299.3832 -161223.0498 -108761.3170 299.6965 41.3463 70.3330 763894.5469 4.5237 4.5073 PRESSURE: 4711800 -7.24043 51.5834 -20.7784 51.5829 67.0361 160.484 -20.7786 160.485 19.7188 GPRESSURE: 4711800 27.8173 42.0423 22.8855 67.3385 91.0839 244.311 21.2671 -83.3907 40.7513 PRESSAVG: 4711800 -2.64837 -34.0221 0.731474 -34.0221 37.7758 -17.7942 0.731484 -17.7941 31.3821 GPRESSAVG: 4711800 -4.86076 -35.079 1.28933 -34.1612 39.3086 -19.0137 1.29753 -17.9763 32.0565 TIMING: 4711800 CPU: 14713.8, 0.00311482/step Wall: 14713.8, 0.00311482/step, 0.249358 hours remaining, 233.804688 MB of memory in use. ENERGY: 4711800 3973.0412 20445.5784 14434.5615 234.6129 -203211.2846 2799.7346 0.0000 0.0000 52225.5205 -109098.2354 300.1408 -161323.7560 -108734.5189 299.8365 26.5048 53.2175 763834.8463 22.1699 22.1681 PRESSURE: 4712000 305.003 -91.3794 -0.773631 -91.3795 40.5963 218.632 -0.773665 218.632 266.781 GPRESSURE: 4712000 281.63 -8.50708 44.8954 -27.4669 163.673 203.405 -63.709 117.791 241.309 PRESSAVG: 4712000 -18.7905 -9.75732 67.6626 -9.75729 23.7723 25.353 67.6626 25.353 -10.366 GPRESSAVG: 4712000 -17.9356 -8.63868 66.6537 -9.09888 23.2763 25.2876 65.9785 22.1746 -10.886 TIMING: 4712000 CPU: 14714.5, 0.00310407/step Wall: 14714.5, 0.00310407/step, 0.248326 hours remaining, 233.804688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4712000 3914.6009 20673.4716 14431.5233 234.5266 -202928.9011 2511.8193 0.0000 0.0000 52226.1134 -108936.8461 300.1442 -161162.9595 -108571.7310 299.7219 204.1266 228.8708 763549.2511 -1.7947 -1.8484 PRESSURE: 4712200 -205.601 -0.275806 -68.1562 -0.275505 26.6861 201.411 -68.1556 201.41 427.9 GPRESSURE: 4712200 -102.789 39.1709 -160.374 35.4903 29.6035 298.191 -31.9444 216.285 409.513 PRESSAVG: 4712200 -10.0596 -52.5361 -14.398 -52.5362 25.5862 10.6603 -14.3981 10.6603 -5.72232 GPRESSAVG: 4712200 -8.78328 -52.8483 -13.5251 -51.8658 24.5816 11.6964 -15.0627 12.4361 -6.30956 TIMING: 4712200 CPU: 14715.1, 0.00309013/step Wall: 14715.1, 0.00309013/step, 0.247039 hours remaining, 233.804688 MB of memory in use. ENERGY: 4712200 3981.7299 20514.2222 14479.5554 240.4939 -203173.1377 2826.1028 0.0000 0.0000 52160.6746 -108970.3588 299.7681 -161131.0334 -108615.2912 299.9513 82.9951 112.1092 762471.8264 3.2681 3.1629 LDB: ============= START OF LOAD BALANCING ============== 14727.6 LDB: ============== END OF LOAD BALANCING =============== 14727.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14727.6 LDB: ============= START OF LOAD BALANCING ============== 14727.9 LDB: Largest compute 7060 load 0.031752 is 16.3% of average load 0.195300 LDB: Average compute 0.004371 is 2.2% of average load 0.195300 LDB: TIME 14727.9 LOAD: AVG 0.1953 MAX 0.215491 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.863 MB LDB: TIME 14727.9 LOAD: AVG 0.1953 MAX 0.215491 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.926 MB LDB: TIME 14727.9 LOAD: AVG 0.1953 MAX 0.215491 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.926 MB LDB: ============== END OF LOAD BALANCING =============== 14727.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14727.9 PRESSURE: 4712400 404.028 -303.857 23.0936 -303.857 371.067 0.58499 23.0933 0.585956 -54.8752 GPRESSURE: 4712400 425.983 -308.344 -18.6813 -173.691 416.137 -8.30362 -22.4454 70.4494 -48.8131 PRESSAVG: 4712400 17.0129 -85.148 46.1706 -85.148 6.0399 -10.6286 46.1706 -10.6285 -7.55229 GPRESSAVG: 4712400 16.9459 -84.5616 43.6937 -86.4219 5.93053 -12.6331 48.5286 -10.3955 -7.7233 TIMING: 4712400 CPU: 14715.7, 0.00316348/step Wall: 14715.7, 0.00316348/step, 0.252727 hours remaining, 235.398438 MB of memory in use. ENERGY: 4712400 4000.4686 20563.6694 14473.3377 253.4104 -203450.9537 2793.4512 0.0000 0.0000 52306.0470 -109060.5694 300.6036 -161366.6164 -108697.9242 300.0483 240.0733 264.4355 761600.4350 5.1668 5.0511 PRESSURE: 4712600 86.9081 -47.6122 91.3294 -47.612 78.2191 72.6459 91.3297 72.6461 149.844 GPRESSURE: 4712600 40.1514 10.4763 120.663 -12.5943 187.832 37.5784 122.096 92.233 175.559 PRESSAVG: 4712600 -20.7995 -34.4898 -14.3725 -34.4898 26.0713 -24.1605 -14.3725 -24.1605 -12.2554 GPRESSAVG: 4712600 -20.9887 -36.3062 -13.4495 -33.1204 25.4294 -23.2173 -13.5238 -23.0039 -11.4009 TIMING: 4712600 CPU: 14716.3, 0.00310969/step Wall: 14716.3, 0.00310969/step, 0.248257 hours remaining, 235.398438 MB of memory in use. ENERGY: 4712600 4039.6358 20840.9349 14437.3210 233.2972 -203582.4678 2692.1550 0.0000 0.0000 52197.6793 -109141.4447 299.9808 -161339.1240 -108781.6039 299.9370 104.9903 134.5140 761066.0517 -2.3278 -2.3201 PRESSURE: 4712800 -392.017 91.0468 -134.085 91.0467 72.9835 -32.6402 -134.086 -32.64 -208.774 GPRESSURE: 4712800 -287.981 108.72 -139.203 -28.0243 34.6485 -85.9047 11.048 -20.7222 -191.444 PRESSAVG: 4712800 -25.7705 -34.4531 9.29612 -34.4531 16.7875 3.37736 9.29607 3.37731 22.961 GPRESSAVG: 4712800 -26.8404 -32.7658 11.2953 -36.0492 17.7329 3.13442 7.12028 3.97245 22.801 TIMING: 4712800 CPU: 14717, 0.00309328/step Wall: 14717, 0.00309328/step, 0.246775 hours remaining, 235.398438 MB of memory in use. ENERGY: 4712800 3993.6287 20552.8984 14505.5338 257.4196 -203128.7546 2638.1028 0.0000 0.0000 52178.1794 -109002.9919 299.8687 -161181.1713 -108644.0374 299.7716 -175.9358 -148.2589 761904.6183 4.6593 4.5645 PRESSURE: 4713000 72.1823 -11.925 25.06 -11.9255 -223.698 175.792 25.0604 175.791 -92.5406 GPRESSURE: 4713000 168 43.9271 71.4079 -33.8864 -249.686 192.781 80.8202 89.7808 -94.8652 PRESSAVG: 4713000 -63.9564 -30.7653 -34.2348 -30.7653 59.104 43.3488 -34.2349 43.3488 13.8619 GPRESSAVG: 4713000 -63.477 -31.3885 -34.9916 -29.3463 58.8259 44.1378 -33.4884 42.4828 13.6003 TIMING: 4713000 CPU: 14717.6, 0.00309009/step Wall: 14717.6, 0.00309009/step, 0.246349 hours remaining, 235.660156 MB of memory in use. ENERGY: 4713000 4080.7022 20587.9715 14471.5579 242.1196 -203435.8953 2719.2108 0.0000 0.0000 52169.2778 -109165.0554 299.8176 -161334.3333 -108807.4911 299.7563 -81.3522 -58.8506 763126.8191 3.0032 2.9831 PRESSURE: 4713200 -307.558 134.798 198.8 134.8 -111.582 -74.6285 198.8 -74.6277 20.6856 GPRESSURE: 4713200 -193.538 108.149 219.225 102.455 -176.385 -72.1944 123.663 -137.267 45.6862 PRESSAVG: 4713200 -29.9104 15.2615 -7.60339 15.2615 34.2613 54.3737 -7.60334 54.3738 40.0583 GPRESSAVG: 4713200 -29.6042 16.1943 -8.32352 11.3898 33.5665 54.7651 -7.37473 52.4646 39.7938 TIMING: 4713200 CPU: 14718.2, 0.00309456/step Wall: 14718.2, 0.00309456/step, 0.246533 hours remaining, 235.796875 MB of memory in use. ENERGY: 4713200 4018.9889 20716.2068 14461.7549 238.8793 -203550.8934 2812.4064 0.0000 0.0000 52117.4103 -109185.2469 299.5195 -161302.6572 -108815.2251 299.8265 -132.8184 -108.0790 761885.0062 14.8031 14.5854 PRESSURE: 4713400 -94.7805 114.014 59.9028 114.014 -204.517 -54.2504 59.9024 -54.2507 -47.6934 GPRESSURE: 4713400 -69.3763 176.705 -1.90701 159.004 -143.573 -82.1813 76.192 -51.7793 -48.2138 PRESSAVG: 4713400 50.8366 7.46641 -1.41145 7.46643 -9.92731 13.395 -1.41143 13.395 -6.05721 GPRESSAVG: 4713400 49.4708 6.23388 0.678493 9.9543 -8.81097 12.7862 -3.29292 13.8623 -5.99378 TIMING: 4713400 CPU: 14718.8, 0.00309833/step Wall: 14718.8, 0.00309833/step, 0.246661 hours remaining, 235.996094 MB of memory in use. ENERGY: 4713400 3986.1784 20463.2476 14450.2446 238.4962 -203460.4070 2756.1040 0.0000 0.0000 52337.4419 -109228.6943 300.7840 -161566.1361 -108857.9274 299.8888 -115.6635 -87.0544 762090.7283 11.6173 11.5554 PRESSURE: 4713600 228.191 166.971 30.335 166.971 74.9154 102.793 30.3359 102.793 87.6668 GPRESSURE: 4713600 187.911 150.461 -13.2825 93.4621 224.387 176.237 70.5979 121.828 56.4304 PRESSAVG: 4713600 8.6005 -0.667876 -51.3777 -0.66787 -4.26735 53.6935 -51.3777 53.6934 3.56912 GPRESSAVG: 4713600 9.61558 0.750722 -53.5125 -0.158855 -5.62257 52.7754 -47.9714 54.0474 3.81281 TIMING: 4713600 CPU: 14719.4, 0.00309898/step Wall: 14719.4, 0.00309898/step, 0.246541 hours remaining, 235.996094 MB of memory in use. ENERGY: 4713600 4003.3026 20426.3916 14413.2438 229.3388 -203249.7973 2649.8427 0.0000 0.0000 52296.9848 -109230.6928 300.5515 -161527.6777 -108860.2708 299.4960 130.2576 156.2427 761347.0010 2.6341 2.6019 PRESSURE: 4713800 77.8133 -51.2745 -10.6335 -51.2741 -185.209 45.7093 -10.6338 45.7095 290.343 GPRESSURE: 4713800 167.285 -29.3065 4.82079 -159.575 -160.217 125.856 34.2101 -44.2339 238.685 PRESSAVG: 4713800 25.0775 -12.1155 -41.176 -12.1155 0.103411 67.5457 -41.176 67.5458 4.19707 GPRESSAVG: 4713800 25.8394 -14.9959 -38.9163 -13.1062 0.0222467 69.56 -42.5564 66.5192 3.68268 TIMING: 4713800 CPU: 14720.1, 0.00311331/step Wall: 14720.1, 0.00311331/step, 0.247508 hours remaining, 235.996094 MB of memory in use. ENERGY: 4713800 3984.2505 20667.4542 14399.1360 243.6886 -203404.4183 2731.5481 0.0000 0.0000 52112.0140 -109266.3269 299.4885 -161378.3409 -108906.5139 299.2844 60.9826 81.9178 762657.7403 9.7927 9.8481 PRESSURE: 4714000 -36.5152 70.9093 125.13 70.9102 236.342 228.036 125.129 228.036 -77.0589 GPRESSURE: 4714000 14.8224 86.8052 89.808 88.1252 249.682 182.056 188.915 141.752 -35.481 PRESSAVG: 4714000 17.1939 43.4341 13.8873 43.4341 -15.2756 79.5814 13.8873 79.5814 11.759 GPRESSAVG: 4714000 15.0125 45.2543 13.6986 44.7358 -13.8052 78.3417 15.3216 78.6867 12.7438 TIMING: 4714000 CPU: 14720.7, 0.00311876/step Wall: 14720.7, 0.00311876/step, 0.247768 hours remaining, 235.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4714000 4008.8153 20509.7255 14476.1474 268.4076 -203472.9971 2889.7954 0.0000 0.0000 52006.2166 -109313.8896 298.8804 -161320.1062 -108951.7768 298.7987 40.9227 76.3410 763384.8902 4.5591 4.6504 PRESSURE: 4714200 43.9635 264.514 -46.8637 264.514 5.31476 12.6135 -46.8638 12.6136 100.657 GPRESSURE: 4714200 130.805 287.523 -26.0926 229.902 33.9106 -34.7941 -22.3052 36.5171 94.9841 PRESSAVG: 4714200 -28.6178 3.8453 -9.57451 3.84532 -6.88923 1.71376 -9.57456 1.71371 24.4538 GPRESSAVG: 4714200 -27.1861 3.84691 -10.4668 1.54774 -7.68864 1.01615 -10.2647 2.43793 23.9673 TIMING: 4714200 CPU: 14721.3, 0.00313281/step Wall: 14721.3, 0.00313281/step, 0.24871 hours remaining, 235.996094 MB of memory in use. ENERGY: 4714200 3968.2058 20564.0584 14469.9309 240.8762 -203529.3536 2888.7933 0.0000 0.0000 51894.7113 -109502.7778 298.2396 -161397.4891 -109141.9687 298.4621 49.9783 86.5664 763912.6309 -3.6844 -3.6358 PRESSURE: 4714400 -318.984 -45.5782 -67.1882 -45.577 -179.286 -90.5129 -67.188 -90.5119 -134.817 GPRESSURE: 4714400 -279.896 -2.89724 -29.1955 -39.5386 -175.985 -43.7973 -26.9511 -145.784 -116.38 PRESSAVG: 4714400 -53.1102 17.0567 -34.924 17.0567 14.9188 -63.5079 -34.924 -63.5079 -2.0931 GPRESSAVG: 4714400 -53.9636 16.3861 -33.3905 17.8902 15.6708 -62.1666 -36.296 -63.7743 -2.22082 TIMING: 4714400 CPU: 14721.9, 0.00311471/step Wall: 14721.9, 0.00311471/step, 0.247101 hours remaining, 235.996094 MB of memory in use. ENERGY: 4714400 3902.2483 20734.6526 14410.7737 255.0640 -203032.4403 2394.3530 0.0000 0.0000 52095.6878 -109239.6609 299.3946 -161335.3487 -108880.6569 299.0554 -211.0291 -190.7539 765945.0540 -13.4282 -13.5045 PRESSURE: 4714600 75.2779 103.319 158.58 103.319 -91.4843 -240.345 158.579 -240.345 -151.077 GPRESSURE: 4714600 132.532 31.8314 139.58 43.1223 -117.611 -270.857 57.6117 -113.166 -77.8778 PRESSAVG: 4714600 3.60242 16.7995 -30.5335 16.7994 8.29647 -44.4417 -30.5335 -44.4417 26.776 GPRESSAVG: 4714600 3.77456 19.0944 -32.7477 16.7754 8.36829 -44.332 -28.9019 -43.8966 26.8514 TIMING: 4714600 CPU: 14722.5, 0.00309313/step Wall: 14722.5, 0.00309313/step, 0.245216 hours remaining, 235.996094 MB of memory in use. ENERGY: 4714600 4022.8933 20420.2204 14423.9896 241.3155 -203119.1861 2682.2007 0.0000 0.0000 51783.9813 -109544.5853 297.6033 -161328.5666 -109182.9368 298.8516 -55.7612 -20.9856 765649.6140 12.8916 12.9981 PRESSURE: 4714800 -158.89 -4.10075 111.222 -4.10068 -340.846 22.1515 111.222 22.1529 19.1449 GPRESSURE: 4714800 -111.208 -35.2964 144.664 134.801 -220.204 38.4051 -36.8507 14.1846 -63.2161 PRESSAVG: 4714800 -20.6674 -32.518 -3.06903 -32.518 -4.26906 -45.6537 -3.06901 -45.6537 -38.7598 GPRESSAVG: 4714800 -20.0196 -33.7192 -3.81481 -32.4762 -5.29508 -44.8737 -5.76295 -44.9148 -38.3475 TIMING: 4714800 CPU: 14723.2, 0.00313144/step Wall: 14723.2, 0.00313144/step, 0.24808 hours remaining, 235.996094 MB of memory in use. ENERGY: 4714800 4040.0580 20492.0395 14495.5962 244.5760 -203457.1740 2693.9464 0.0000 0.0000 52109.4382 -109381.5196 299.4737 -161490.9578 -109021.1639 298.7388 -160.1971 -131.5427 764197.0345 -21.2321 -21.2207 PRESSURE: 4715000 158.376 -104.676 161.438 -104.677 -158.975 -26.9377 161.438 -26.9375 28.0978 GPRESSURE: 4715000 173.391 -78.9624 159.436 -81.7873 -71.3537 23.0404 124.481 -38.0241 -8.19316 PRESSAVG: 4715000 -66.6289 -1.04068 9.02619 -1.0407 49.4583 -32.8456 9.02614 -32.8457 6.97942 GPRESSAVG: 4715000 -66.8154 -2.24581 9.26778 1.43267 50.4613 -35.3125 10.2429 -33.0792 6.03874 TIMING: 4715000 CPU: 14723.8, 0.00313191/step Wall: 14723.8, 0.00313191/step, 0.247943 hours remaining, 235.996094 MB of memory in use. ENERGY: 4715000 4036.3743 20381.2087 14397.4449 235.5184 -203261.3575 2691.1720 0.0000 0.0000 52017.5915 -109502.0478 298.9458 -161519.6392 -109151.2865 298.7853 9.1663 31.2815 764277.5316 -3.3971 -3.4384 PRESSURE: 4715200 432.124 180.252 3.5464 180.252 213.412 -215.192 3.54675 -215.192 141.332 GPRESSURE: 4715200 439.789 146.616 -5.30662 73.4304 227.286 -183.468 183.108 -223.219 205.626 PRESSAVG: 4715200 -12.8958 8.24456 52.9425 8.24463 41.7608 -42.2209 52.9424 -42.221 16.8182 GPRESSAVG: 4715200 -13.1355 9.15206 53.3042 8.57817 40.7829 -39.5802 52.9198 -43.392 18.4656 TIMING: 4715200 CPU: 14724.4, 0.00309502/step Wall: 14724.4, 0.00309502/step, 0.24485 hours remaining, 235.996094 MB of memory in use. ENERGY: 4715200 3983.0151 20554.9484 14435.8736 237.9379 -204075.4446 3434.5422 0.0000 0.0000 51908.8788 -109520.2486 298.3210 -161429.1274 -109172.4564 298.7012 262.2894 290.9003 762488.1120 15.2277 15.3710 PRESSURE: 4715400 -324.689 6.52006 -57.121 6.52044 5.97174 229.212 -57.1209 229.213 104.551 GPRESSURE: 4715400 -256.219 3.65083 -68.0029 -160.296 72.1176 323.983 2.26835 247.498 53.1595 PRESSAVG: 4715400 0.398616 -57.2283 -8.97266 -57.2284 -4.71343 27.8677 -8.97266 27.8677 23.6622 GPRESSAVG: 4715400 1.74802 -56.7622 -9.95142 -61.2652 -3.7816 27.5221 -9.1184 28.0341 22.1324 TIMING: 4715400 CPU: 14725, 0.00311173/step Wall: 14725, 0.00311173/step, 0.246 hours remaining, 235.996094 MB of memory in use. ENERGY: 4715400 3916.2220 20407.9173 14395.4536 242.1183 -203233.6208 2642.5734 0.0000 0.0000 52201.1721 -109428.1640 300.0009 -161629.3362 -109060.7624 298.8153 -71.3886 -43.6474 763519.5149 6.4491 6.6996 PRESSURE: 4715600 181.681 -49.048 -312.557 -49.0489 9.80868 -106.843 -312.557 -106.843 85.1424 GPRESSURE: 4715600 186.938 -112.525 -337.848 -79.6952 36.3128 -95.432 -316.611 40.274 140.53 PRESSAVG: 4715600 -24.0016 -39.623 -3.6672 -39.6229 38.6217 -17.2105 -3.66722 -17.2104 13.1301 GPRESSAVG: 4715600 -24.8746 -42.1238 -2.5973 -37.0006 36.8319 -18.0036 -4.25704 -15.5007 14.7392 TIMING: 4715600 CPU: 14725.7, 0.00312057/step Wall: 14725.7, 0.00312057/step, 0.246525 hours remaining, 235.996094 MB of memory in use. ENERGY: 4715600 3966.8638 20455.6452 14437.1003 271.1642 -203478.9839 2876.0581 0.0000 0.0000 52077.3805 -109394.7717 299.2894 -161472.1522 -109031.4278 298.8173 92.2106 121.2602 764163.8604 9.2501 8.8988 PRESSURE: 4715800 -444.996 5.24235 127.955 5.24108 -240.67 65.6999 127.955 65.7008 -212.425 GPRESSURE: 4715800 -372.612 -6.24274 79.4155 -70.2733 -205.058 57.1178 29.8821 -6.30124 -253.437 PRESSAVG: 4715800 -13.7505 -14.1288 -16.3993 -14.1289 35.6972 -29.5423 -16.3993 -29.5423 4.18284 GPRESSAVG: 4715800 -14.3015 -12.3994 -17.4692 -16.3899 35.5834 -30.6399 -15.8711 -30.4782 4.75916 TIMING: 4715800 CPU: 14726.3, 0.0031145/step Wall: 14726.3, 0.0031145/step, 0.245873 hours remaining, 235.996094 MB of memory in use. ENERGY: 4715800 3956.6306 20548.8066 14465.3447 247.3065 -203131.0951 2795.9947 0.0000 0.0000 52037.8422 -109079.1699 299.0622 -161117.0121 -108718.9364 299.2451 -299.3638 -277.0358 763447.0997 8.7099 8.6803 PRESSURE: 4716000 -201.519 -270.282 -166.227 -270.282 29.4519 -39.8614 -166.226 -39.8616 -353.042 GPRESSURE: 4716000 -241.943 -173.982 -173.397 -327.22 56.6771 -42.2409 -7.57077 -31.4034 -263.569 PRESSAVG: 4716000 -68.1949 -47.1992 42.0899 -47.1992 90.8448 2.38667 42.0899 2.38667 24.2096 GPRESSAVG: 4716000 -68.2873 -46.7665 45.0617 -46.6412 92.1452 3.43872 41.4098 2.57115 22.2963 TIMING: 4716000 CPU: 14726.9, 0.00310012/step Wall: 14726.9, 0.00310012/step, 0.244565 hours remaining, 235.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4716000 4020.9175 20623.9972 14373.0362 252.3809 -202757.2179 2424.7404 0.0000 0.0000 52273.5048 -108788.6410 300.4166 -161062.1459 -108438.6502 299.9309 -175.0365 -149.6117 764201.0886 15.6198 15.3847 PRESSURE: 4716200 170.035 27.0445 113.592 27.0444 249.151 13.4943 113.592 13.4939 264.601 GPRESSURE: 4716200 128.1 -67.7043 -1.06221 52.7054 369.592 -62.7473 100.488 59.0738 285.822 PRESSAVG: 4716200 -31.0046 0.0671726 -2.28517 0.0672547 30.2353 -33.921 -2.28512 -33.9211 15.5431 GPRESSAVG: 4716200 -30.6567 -1.29394 -4.45085 2.53913 29.3352 -35.4641 -1.74281 -32.8226 15.7977 TIMING: 4716200 CPU: 14727.5, 0.00310541/step Wall: 14727.5, 0.00310541/step, 0.24481 hours remaining, 235.996094 MB of memory in use. ENERGY: 4716200 4040.2989 20425.4929 14533.6884 245.6558 -203315.6726 3076.1291 0.0000 0.0000 52153.9159 -108840.4917 299.7293 -160994.4076 -108477.2999 299.7501 227.9286 261.1714 763031.8974 4.9246 4.8254 LDB: ============= START OF LOAD BALANCING ============== 14740 LDB: ============== END OF LOAD BALANCING =============== 14740 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14740 LDB: ============= START OF LOAD BALANCING ============== 14740.3 LDB: Largest compute 7060 load 0.030791 is 15.8% of average load 0.195276 LDB: Average compute 0.004388 is 2.2% of average load 0.195276 LDB: TIME 14740.3 LOAD: AVG 0.195276 MAX 0.216497 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.242 MB LDB: TIME 14740.3 LOAD: AVG 0.195276 MAX 0.216497 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.242 MB LDB: TIME 14740.3 LOAD: AVG 0.195276 MAX 0.216497 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.242 MB LDB: ============== END OF LOAD BALANCING =============== 14740.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14740.3 PRESSURE: 4716400 23.0631 24.6837 -204.847 24.6827 -132.269 113.92 -204.847 113.92 -240.204 GPRESSURE: 4716400 -6.87352 -27.4392 -265.121 -26.8607 -27.439 44.2238 -225.109 129.416 -231.629 PRESSAVG: 4716400 2.68495 -35.2013 -46.3198 -35.2013 5.02571 2.65178 -46.3197 2.65175 -12.0832 GPRESSAVG: 4716400 2.05685 -34.3772 -45.967 -36.5964 5.53464 2.76477 -47.4108 2.35876 -11.6482 TIMING: 4716400 CPU: 14728.2, 0.00316451/step Wall: 14728.2, 0.00316451/step, 0.249293 hours remaining, 233.402344 MB of memory in use. ENERGY: 4716400 4000.2193 20497.4512 14419.0418 219.0532 -202916.5342 2591.8799 0.0000 0.0000 52288.7686 -108900.1202 300.5043 -161188.8888 -108541.7933 300.4726 -116.4702 -88.6470 765510.9381 -1.4575 -1.3522 PRESSURE: 4716600 273.16 5.2904 18.7756 5.29053 -25.4622 -79.7193 18.7764 -79.7185 -71.4875 GPRESSURE: 4716600 254.735 48.4041 56.6821 -10.9295 61.0734 -76.3003 86.2374 -65.155 -50.4316 PRESSAVG: 4716600 -4.33601 -36.7194 -33.9939 -36.7194 -4.20301 -33.3964 -33.9939 -33.3963 -13.795 GPRESSAVG: 4716600 -4.37833 -36.9164 -34.1497 -34.9238 -3.78037 -31.6607 -34.3413 -33.747 -14.5709 TIMING: 4716600 CPU: 14728.8, 0.00308379/step Wall: 14728.8, 0.00308379/step, 0.242763 hours remaining, 233.402344 MB of memory in use. ENERGY: 4716600 3914.4318 20624.1941 14478.1122 222.3537 -203290.7483 3063.1007 0.0000 0.0000 52297.6998 -108690.8559 300.5556 -160988.5557 -108331.2237 300.0399 58.7368 88.4589 763346.5430 -7.4447 -7.5765 PRESSURE: 4716800 -102.956 25.5328 -409.424 25.532 -152.27 30.3285 -409.423 30.3281 -242.275 GPRESSURE: 4716800 -133.715 -90.7179 -296.79 79.5902 -112.417 83.6013 -445.68 -68.8775 -175.871 PRESSAVG: 4716800 8.035 -35.1479 8.63728 -35.148 6.13808 22.9982 8.6373 22.9983 -27.006 GPRESSAVG: 4716800 8.59401 -35.2358 8.45678 -34.0101 4.97673 21.0652 10.0128 23.2474 -25.9278 TIMING: 4716800 CPU: 14729.4, 0.00310034/step Wall: 14729.4, 0.00310034/step, 0.243894 hours remaining, 233.402344 MB of memory in use. ENERGY: 4716800 4007.1662 20460.2489 14405.7545 261.3413 -202663.0791 2500.5596 0.0000 0.0000 52252.1771 -108775.8315 300.2940 -161028.0086 -108405.2770 300.6294 -165.8336 -140.6677 763552.1586 -4.2776 -4.1190 PRESSURE: 4717000 -205.355 10.1812 -5.91727 10.1819 -165.751 -65.4504 -5.91683 -65.4496 -165.907 GPRESSURE: 4717000 -139.376 200.433 47.876 64.6316 -122.441 2.89931 78.7101 -61.478 -163.798 PRESSAVG: 4717000 36.5485 -33.2622 -63.0712 -33.2622 1.35779 -0.797234 -63.0711 -0.797175 6.37644 GPRESSAVG: 4717000 36.175 -33.8878 -61.5918 -36.5008 2.44698 2.34399 -63.1609 -3.04433 6.05902 TIMING: 4717000 CPU: 14730, 0.00310835/step Wall: 14730, 0.00310835/step, 0.244351 hours remaining, 233.402344 MB of memory in use. ENERGY: 4717000 3935.8857 20582.4692 14388.4467 240.1236 -202794.0186 2709.8035 0.0000 0.0000 52327.1829 -108610.1071 300.7250 -160937.2900 -108242.4320 300.9452 -179.0045 -141.8716 764364.6789 14.7609 14.8937 PRESSURE: 4717200 320.023 42.2192 -186.418 42.2192 187.96 -72.3163 -186.418 -72.316 -134.264 GPRESSURE: 4717200 258.076 104.546 -210.209 17.6753 321.817 -33.3909 -181.438 -179.823 -129.715 PRESSAVG: 4717200 12.0626 29.7957 35.5403 29.7957 -46.7807 -6.4571 35.5402 -6.45711 -1.69725 GPRESSAVG: 4717200 11.5802 30.6443 33.7123 33.3909 -46.1314 -9.83551 34.4475 -5.3853 -1.75567 TIMING: 4717200 CPU: 14730.6, 0.00312665/step Wall: 14730.6, 0.00312665/step, 0.245615 hours remaining, 233.402344 MB of memory in use. ENERGY: 4717200 3917.1975 20542.8522 14464.2841 235.1457 -203142.1594 2897.4254 0.0000 0.0000 52411.0001 -108674.2543 301.2067 -161085.2545 -108310.5649 300.2310 124.5730 150.0591 763352.8995 -12.1384 -12.1023 PRESSURE: 4717400 62.9399 63.3518 9.00534 63.3514 -86.3087 -13.9224 9.00533 -13.9228 221.865 GPRESSURE: 4717400 147.655 119.406 74.0495 -8.86107 -39.7307 51.4974 56.6952 -32.3751 181.214 PRESSAVG: 4717400 23.7196 21.0152 -14.8947 21.0153 -0.661313 0.160488 -14.8947 0.160484 -5.08171 GPRESSAVG: 4717400 25.2031 21.1149 -13.0389 19.4065 -2.90708 3.02945 -12.331 -0.916935 -4.28008 TIMING: 4717400 CPU: 14731.3, 0.00309979/step Wall: 14731.3, 0.00309979/step, 0.243334 hours remaining, 233.402344 MB of memory in use. ENERGY: 4717400 4030.8491 20671.1006 14491.3045 255.6704 -203226.4095 2757.9421 0.0000 0.0000 52509.0712 -108510.4715 301.7704 -161019.5428 -108142.6226 300.4393 66.1655 96.3794 761974.2447 5.9922 6.0053 PRESSURE: 4717600 -223.086 37.5262 44.6632 37.5262 -395.585 32.8367 44.6638 32.836 -167.846 GPRESSURE: 4717600 -199.017 72.0112 -19.0276 100.026 -295.769 -19.2186 11.0518 -19.2096 -193.013 PRESSAVG: 4717600 33.7631 -2.48288 31.0885 -2.48292 18.2451 -4.40113 31.0885 -4.40125 -8.50242 GPRESSAVG: 4717600 33.1133 -3.25119 28.5852 -2.98157 18.9544 -5.6669 30.8664 -2.46504 -8.31106 TIMING: 4717600 CPU: 14731.9, 0.00312453/step Wall: 14731.9, 0.00312453/step, 0.245102 hours remaining, 233.402344 MB of memory in use. ENERGY: 4717600 4042.6658 20533.7535 14494.1204 246.4079 -202759.2879 2541.5229 0.0000 0.0000 52281.7343 -108619.0831 300.4638 -160900.8174 -108258.2987 300.9627 -262.1723 -229.2665 764171.3609 14.5019 14.5856 PRESSURE: 4717800 -353.34 102.146 187.43 102.147 -150.799 -27.3735 187.429 -27.3738 -156.436 GPRESSURE: 4717800 -313.318 95.631 67.4058 120.582 -114.337 74.2232 160.771 2.832 -138.679 PRESSAVG: 4717800 -31.8926 -1.13899 -20.8692 -1.13898 -19.93 10.1473 -20.8691 10.1474 0.624206 GPRESSAVG: 4717800 -31.6102 -1.19661 -19.797 -2.80618 -18.6929 8.46847 -22.837 9.10343 -1.04292 TIMING: 4717800 CPU: 14732.5, 0.00309555/step Wall: 14732.5, 0.00309555/step, 0.242657 hours remaining, 233.402344 MB of memory in use. ENERGY: 4717800 4070.7844 20452.9582 14453.9993 249.1093 -202755.9227 2449.1810 0.0000 0.0000 52329.1386 -108750.7521 300.7363 -161079.8907 -108377.3476 300.0455 -220.1916 -188.7779 765427.9791 -17.0661 -17.1153 PRESSURE: 4718000 267.199 -94.6885 7.34976 -94.6888 209.7 293.735 7.3498 293.736 452.416 GPRESSURE: 4718000 359.985 -135.846 -81.2451 -95.6083 161.441 236.96 -200.359 179.482 490.64 PRESSAVG: 4718000 -41.4073 -24.9266 5.20235 -24.9266 -0.481752 -12.9809 5.20236 -12.9809 0.276327 GPRESSAVG: 4718000 -42.1989 -22.6158 5.61553 -22.9318 -1.05731 -9.71213 5.79154 -15.2468 1.41199 TIMING: 4718000 CPU: 14733.1, 0.00309819/step Wall: 14733.1, 0.00309819/step, 0.242691 hours remaining, 233.402344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4718000 4036.6801 20652.8798 14507.7070 235.0288 -203277.0571 2924.1720 0.0000 0.0000 52147.1517 -108773.4377 299.6904 -160920.5893 -108421.3433 300.4442 309.7718 337.3550 762146.1564 -13.8709 -13.9481 PRESSURE: 4718200 -266.219 223.046 130.751 223.045 13.5714 28.3515 130.751 28.3522 -239.935 GPRESSURE: 4718200 -147.764 140.215 194.357 193.48 -21.979 42.2429 30.4421 1.34262 -249.737 PRESSAVG: 4718200 -30.4742 -9.30865 -24.5192 -9.30863 43.3411 -29.351 -24.5192 -29.3509 -5.66057 GPRESSAVG: 4718200 -29.4125 -12.3431 -25.7834 -11.8628 42.1152 -32.8801 -24.8089 -26.6778 -5.62173 TIMING: 4718200 CPU: 14733.7, 0.00310942/step Wall: 14733.7, 0.00310942/step, 0.243399 hours remaining, 233.402344 MB of memory in use. ENERGY: 4718200 3981.0787 20494.6073 14411.9315 237.7270 -203188.1627 2827.9970 0.0000 0.0000 52232.0977 -109002.7236 300.1786 -161234.8213 -108638.7938 299.7373 -164.1942 -139.8265 763299.9103 2.4021 2.3603 PRESSURE: 4718400 205.588 -191.445 -117.954 -191.446 -108.467 41.1531 -117.954 41.1529 6.46451 GPRESSURE: 4718400 187.938 -121.673 -75.9216 -31.5986 -72.5592 -13.1961 -20.8714 3.71036 68.8509 PRESSAVG: 4718400 -13.3771 -33.0606 -12.3728 -33.0607 28.5108 -26.7709 -12.3728 -26.7709 -5.54414 GPRESSAVG: 4718400 -12.5944 -31.7184 -10.4289 -30.8555 27.3214 -26.1305 -13.1184 -27.2775 -5.86681 TIMING: 4718400 CPU: 14734.4, 0.00310714/step Wall: 14734.4, 0.00310714/step, 0.243048 hours remaining, 233.402344 MB of memory in use. ENERGY: 4718400 3971.4706 20469.3076 14511.5443 233.8122 -203188.0000 2764.6129 0.0000 0.0000 52057.5830 -109179.6694 299.1756 -161237.2524 -108816.4041 299.0122 34.5286 61.4098 763250.4629 3.1965 2.9534 PRESSURE: 4718600 149.341 114.724 -113.985 114.726 209.73 30.9909 -113.986 30.9913 52.3251 GPRESSURE: 4718600 139.401 -31.2881 -92.5064 120.775 318.769 37.2144 -132.968 -81.4434 54.7952 PRESSAVG: 4718600 -46.4173 -22.0663 21.1199 -22.0664 39.0877 -25.4011 21.1199 -25.4011 42.8218 GPRESSAVG: 4718600 -46.6869 -21.736 19.861 -22.1718 41.2501 -24.8384 22.7078 -26.4221 41.4483 TIMING: 4718600 CPU: 14735, 0.00309507/step Wall: 14735, 0.00309507/step, 0.241931 hours remaining, 233.402344 MB of memory in use. ENERGY: 4718600 4004.1483 20335.3292 14430.3870 237.2516 -203139.3931 2882.4771 0.0000 0.0000 52128.4307 -109121.3692 299.5828 -161249.7999 -108770.1455 299.3852 137.1319 170.9884 763015.8243 11.8307 12.0038 PRESSURE: 4718800 -1.9297 24.5285 68.9817 24.5285 -32.4084 -44.5739 68.9819 -44.5744 22.4462 GPRESSURE: 4718800 27.5902 30.386 93.9279 -62.6195 58.7965 -46.1814 53.7071 15.5575 -18.9093 PRESSAVG: 4718800 3.53469 -69.7236 24.4205 -69.7236 51.0683 -0.57474 24.4205 -0.574671 -4.76659 GPRESSAVG: 4718800 3.77118 -69.8417 25.9732 -72.5062 50.833 -1.70659 23.2458 0.543909 -4.50806 TIMING: 4718800 CPU: 14735.6, 0.0030953/step Wall: 14735.6, 0.0030953/step, 0.241777 hours remaining, 233.402344 MB of memory in use. ENERGY: 4718800 3891.3004 20473.9278 14544.2683 244.7877 -203235.2457 2847.2840 0.0000 0.0000 52184.3904 -109049.2870 299.9044 -161233.6774 -108677.4181 299.1215 -3.9640 22.4925 761757.0154 16.6121 16.6987 PRESSURE: 4719000 108.353 61.0566 -86.1453 61.0563 69.4283 -92.7051 -86.1454 -92.705 -33.0333 GPRESSURE: 4719000 56.6418 52.498 -145.116 -9.1077 92.7637 -188.349 32.2311 -59.0864 73.4579 PRESSAVG: 4719000 -26.7827 16.3934 -26.6977 16.3934 7.29473 31.4262 -26.6977 31.4262 17.6557 GPRESSAVG: 4719000 -27.4739 13.5297 -26.7009 19.3567 6.94608 33.0099 -27.1345 31.6343 18.4467 TIMING: 4719000 CPU: 14736.2, 0.00309571/step Wall: 14736.2, 0.00309571/step, 0.241637 hours remaining, 233.402344 MB of memory in use. ENERGY: 4719000 4005.5273 20519.7055 14442.2761 250.6597 -203199.6768 2852.0500 0.0000 0.0000 51873.5615 -109255.8967 298.1181 -161129.4582 -108892.0461 299.1015 48.2492 74.2878 763927.7037 -0.6107 -0.6937 PRESSURE: 4719200 43.3501 179.788 -214.353 179.788 113.682 18.8555 -214.353 18.8549 -56.2182 GPRESSURE: 4719200 137.935 222.31 -248.33 94.1401 131.997 86.4665 -117.109 93.0149 -68.796 PRESSAVG: 4719200 -10.2334 9.66141 -44.9037 9.66141 -33.5588 -15.2324 -44.9037 -15.2324 5.47843 GPRESSAVG: 4719200 -10.1457 11.4038 -46.4497 8.99324 -34.3905 -16.5566 -42.8411 -14.3243 6.63771 TIMING: 4719200 CPU: 14736.8, 0.00309702/step Wall: 14736.8, 0.00309701/step, 0.241567 hours remaining, 233.402344 MB of memory in use. ENERGY: 4719200 3930.4908 20540.6768 14370.6945 225.5786 -203275.5843 2922.1417 0.0000 0.0000 52132.8831 -109153.1188 299.6084 -161286.0019 -108797.6255 299.0671 33.6046 67.0453 763886.8182 -12.7713 -12.6328 PRESSURE: 4719400 -119.837 3.46614 198.672 3.46611 442.611 117.663 198.672 117.664 90.4125 GPRESSURE: 4719400 -47.5876 -11.9688 150.613 67.7486 411.293 74.5932 161.07 106.552 96.3399 PRESSAVG: 4719400 -14.9362 20.6675 -4.07602 20.6675 -12.652 15.879 -4.07596 15.879 5.64442 GPRESSAVG: 4719400 -14.5605 20.9496 -3.26177 20.9511 -12.0558 16.848 -3.65253 16.3067 4.68146 TIMING: 4719400 CPU: 14737.5, 0.00310049/step Wall: 14737.5, 0.00310049/step, 0.241666 hours remaining, 233.402344 MB of memory in use. ENERGY: 4719400 3986.5240 20523.3111 14473.3099 231.6006 -203061.5450 2797.8958 0.0000 0.0000 51945.6277 -109103.2758 298.5322 -161048.9035 -108731.8092 299.2582 137.7290 153.3483 765040.4609 -7.3146 -7.3116 PRESSURE: 4719600 -21.0029 24.8055 389.635 24.8052 207.857 140.604 389.635 140.604 -134.789 GPRESSURE: 4719600 32.5234 -35.7883 356.304 -34.2682 129.18 196 282.286 51.7825 -14.76 PRESSAVG: 4719600 -66.2679 -14.3136 -5.19701 -14.3136 43.0998 -3.55063 -5.19701 -3.55069 0.180063 GPRESSAVG: 4719600 -67.0072 -13.8779 -6.76628 -15.1712 43.4922 -2.56004 -7.53595 -4.29275 0.649755 TIMING: 4719600 CPU: 14738.1, 0.00312125/step Wall: 14738.1, 0.00312125/step, 0.243111 hours remaining, 233.402344 MB of memory in use. ENERGY: 4719600 3986.0424 20402.2181 14458.8951 240.8227 -203560.0786 3285.0584 0.0000 0.0000 52173.7333 -109013.3086 299.8432 -161187.0419 -108650.1226 299.6099 17.3552 48.9812 765072.8654 -7.6627 -7.6217 PRESSURE: 4719800 -30.7636 255.324 163.61 255.324 275.233 -195.416 163.609 -195.416 -197.691 GPRESSURE: 4719800 -58.0706 273.534 145.87 195.86 366.959 -124.016 142.359 -293.28 -157.38 PRESSAVG: 4719800 -19.4653 -24.2447 -8.34063 -24.2446 31.0187 -46.457 -8.34073 -46.457 -30.5915 GPRESSAVG: 4719800 -17.8327 -25.002 -6.44591 -25.4328 30.7315 -46.2492 -8.94689 -47.4128 -31.5073 TIMING: 4719800 CPU: 14738.7, 0.00311107/step Wall: 14738.7, 0.00311107/step, 0.242145 hours remaining, 233.402344 MB of memory in use. ENERGY: 4719800 3987.5393 20635.9750 14463.8445 230.1357 -203579.3180 3190.5893 0.0000 0.0000 51946.7444 -109124.4899 298.5387 -161071.2343 -108772.1033 299.9249 15.5928 50.5029 762568.4170 -6.3460 -6.2028 PRESSURE: 4720000 -39.4862 43.4552 -511.38 43.4563 170.448 243.447 -511.379 243.447 649.982 GPRESSURE: 4720000 22.9372 16.7799 -438.834 44.1086 199.373 243.708 -437.251 173.57 648.349 PRESSAVG: 4720000 -19.3396 26.1021 -9.54234 26.102 14.754 1.10931 -9.54241 1.10925 9.80323 GPRESSAVG: 4720000 -20.5541 26.2587 -9.06498 26.7546 14.1361 0.426136 -8.39642 2.30576 12.0763 TIMING: 4720000 CPU: 14739.3, 0.0030931/step Wall: 14739.3, 0.0030931/step, 0.240574 hours remaining, 233.402344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4720000 3983.2369 20529.6732 14366.0793 251.5332 -203211.2425 2915.8993 0.0000 0.0000 51915.1708 -109249.6498 298.3572 -161164.8205 -108896.8439 299.2140 260.3147 290.2196 761507.0201 1.7392 1.8861 PRESSURE: 4720200 -136.817 -37.8474 24.0588 -37.8471 -444.654 6.85648 24.059 6.85438 -162.558 GPRESSURE: 4720200 -60.5664 -74.319 -9.4794 -2.9592 -346.22 -36.5959 -1.52192 -113.65 -259.644 PRESSAVG: 4720200 -21.9147 4.90801 -41.3519 4.90796 23.153 -24.6071 -41.3519 -24.6071 25.0363 GPRESSAVG: 4720200 -21.3021 5.05593 -42.4729 7.92653 25.2927 -25.4504 -40.8165 -26.8263 22.6615 TIMING: 4720200 CPU: 14740, 0.00309445/step Wall: 14740, 0.00309445/step, 0.240507 hours remaining, 233.402344 MB of memory in use. ENERGY: 4720200 4020.0682 20586.8014 14447.7281 242.9456 -203174.7283 2592.4050 0.0000 0.0000 52124.9550 -109159.8249 299.5628 -161284.7799 -108801.3017 299.3697 -248.0097 -222.1433 761277.3065 8.7582 8.8840 LDB: ============= START OF LOAD BALANCING ============== 14752.4 LDB: ============== END OF LOAD BALANCING =============== 14752.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14752.4 LDB: ============= START OF LOAD BALANCING ============== 14752.7 LDB: Largest compute 7060 load 0.033143 is 17.0% of average load 0.195261 LDB: Average compute 0.004383 is 2.2% of average load 0.195261 LDB: TIME 14752.7 LOAD: AVG 0.195261 MAX 0.213641 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.688 MB LDB: TIME 14752.7 LOAD: AVG 0.195261 MAX 0.213641 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.746 MB LDB: TIME 14752.7 LOAD: AVG 0.195261 MAX 0.213641 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.746 MB LDB: ============== END OF LOAD BALANCING =============== 14752.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14752.7 PRESSURE: 4720400 72.0683 -16.611 -89.1113 -16.611 -200.199 -39.8573 -89.111 -39.8576 -287.636 GPRESSURE: 4720400 120.124 77.8263 -87.3035 -137.164 -152.76 -99.1333 21.3006 -64.3796 -306.889 PRESSAVG: 4720400 57.3732 -5.55228 8.77271 -5.55228 -62.1044 0.184803 8.77266 0.184799 -11.7538 GPRESSAVG: 4720400 57.3875 -6.89597 10.9008 -6.88999 -62.6315 0.735053 7.05686 0.960111 -10.8543 TIMING: 4720400 CPU: 14740.6, 0.00316228/step Wall: 14740.6, 0.00316228/step, 0.245604 hours remaining, 235.847656 MB of memory in use. ENERGY: 4720400 4050.3749 20488.6153 14467.6395 244.1400 -203719.9489 3059.8295 0.0000 0.0000 52149.1265 -109260.2232 299.7017 -161409.3497 -108900.5453 299.1200 -138.5890 -113.1747 762921.0959 -5.4950 -5.3661 PRESSURE: 4720600 -246.245 38.4264 26.9514 38.4259 -235.226 60.2108 26.9515 60.2123 -432.095 GPRESSURE: 4720600 -251.196 83.4422 -25.1793 -116.038 -139.215 63.6767 -2.89857 167.513 -436.365 PRESSAVG: 4720600 38.793 -8.17131 -68.5905 -8.17137 -33.5431 43.2778 -68.5904 43.2779 2.71159 GPRESSAVG: 4720600 38.3255 -6.68886 -71.5966 -7.83495 -32.6768 43.7723 -64.8651 45.0733 2.82959 TIMING: 4720600 CPU: 14741.2, 0.00308946/step Wall: 14741.2, 0.00308946/step, 0.239777 hours remaining, 235.847656 MB of memory in use. ENERGY: 4720600 4002.4062 20463.3503 14439.7740 235.0680 -203345.8094 2645.1583 0.0000 0.0000 52217.5082 -109342.5442 300.0947 -161560.0524 -108976.0124 299.2070 -304.5220 -275.5918 764331.6614 2.6539 2.8261 PRESSURE: 4720800 -341.79 -41.9087 -13.3373 -41.908 -226 3.74293 -13.3371 3.74328 -289.549 GPRESSURE: 4720800 -374.702 -51.2381 16.6451 -58.8506 -192.975 -69.7379 -123.971 57.8989 -229.267 PRESSAVG: 4720800 0.87292 32.0774 23.0153 32.0775 -32.6567 53.9338 23.0153 53.9337 -11.5868 GPRESSAVG: 4720800 3.60039 31.7185 24.2493 32.6445 -35.6579 53.9669 20.0867 53.6188 -11.3709 TIMING: 4720800 CPU: 14741.8, 0.00308326/step Wall: 14741.8, 0.00308326/step, 0.239124 hours remaining, 235.847656 MB of memory in use. ENERGY: 4720800 4089.5922 20414.8732 14411.7632 236.7921 -203101.4690 2715.3477 0.0000 0.0000 52085.9905 -109147.1100 299.3389 -161233.1005 -108789.4869 299.1443 -285.7797 -265.6478 764112.6091 -14.4568 -14.4761 PRESSURE: 4721000 -191.054 -83.1825 -39.9612 -83.1829 21.4359 28.1784 -39.9611 28.1775 -410.908 GPRESSURE: 4721000 -188.078 -45.1584 -68.7101 -24.8523 142.618 -27.4681 -114.024 113.307 -418.083 PRESSAVG: 4721000 -9.89403 9.47568 -34.3184 9.47568 -8.49707 35.5712 -34.3184 35.5712 -3.21856 GPRESSAVG: 4721000 -11.9593 9.2661 -34.4411 7.86775 -6.26271 35.5108 -33.1812 34.5709 -3.52849 TIMING: 4721000 CPU: 14742.4, 0.00311056/step Wall: 14742.4, 0.00311056/step, 0.241069 hours remaining, 235.847656 MB of memory in use. ENERGY: 4721000 4014.2631 20595.6491 14498.0329 242.4505 -202923.1468 2627.6926 0.0000 0.0000 51931.7890 -109013.2695 298.4527 -160945.0585 -108658.8803 299.7774 -193.5089 -154.5145 763141.7133 -7.2032 -7.2502 PRESSURE: 4721200 19.4664 23.5338 180.917 23.5331 -237.84 81.0732 180.917 81.0738 -189.844 GPRESSURE: 4721200 167.28 27.7667 153.596 -166.194 -248.26 -6.52604 219.838 15.5624 -230.731 PRESSAVG: 4721200 20.4843 53.2376 32.8245 53.2375 -22.6244 35.3039 32.8246 35.3039 1.05003 GPRESSAVG: 4721200 21.7669 52.5443 32.3986 53.5474 -23.3462 36.0784 34.1048 32.9317 1.57492 TIMING: 4721200 CPU: 14743.1, 0.00311635/step Wall: 14743.1, 0.00311635/step, 0.241344 hours remaining, 236.074219 MB of memory in use. ENERGY: 4721200 3982.9248 20447.8475 14391.7421 246.1278 -202759.9618 2525.5736 0.0000 0.0000 52188.4229 -108977.3231 299.9276 -161165.7460 -108613.4132 299.4342 -136.0726 -103.9035 763430.9507 -0.3634 -0.0015 PRESSURE: 4721400 97.5688 -62.2543 6.00215 -62.2527 128.849 -2.42822 6.00281 -2.42899 -84.8767 GPRESSURE: 4721400 56.0974 68.3141 -69.8535 -90.4031 209.137 -34.1286 -3.34644 99.9187 -52.331 PRESSAVG: 4721400 -41.4622 -49.5595 -4.00478 -49.5595 -11.3928 10.3768 -4.00474 10.3768 -6.97795 GPRESSAVG: 4721400 -41.4387 -48.3127 -3.81568 -50.0741 -10.0961 8.75578 -4.2147 12.9044 -8.32015 TIMING: 4721400 CPU: 14743.7, 0.00310069/step Wall: 14743.7, 0.00310069/step, 0.239959 hours remaining, 236.156250 MB of memory in use. ENERGY: 4721400 3952.9798 20580.2777 14377.7707 235.5271 -202916.9178 2818.5416 0.0000 0.0000 52188.5273 -108763.2937 299.9282 -160951.8209 -108403.2040 299.8449 47.1803 70.9677 764002.2538 -19.9443 -19.9517 PRESSURE: 4721600 85.687 -224.022 241.146 -224.023 15.7821 -151.095 241.146 -151.095 141.328 GPRESSURE: 4721600 88.6315 -184.355 291.756 -165.236 116.218 -87.1544 208.787 -4.46848 119.622 PRESSAVG: 4721600 -46.7499 -20.434 -50.4514 -20.434 7.17833 8.48836 -50.4514 8.48834 -31.0007 GPRESSAVG: 4721600 -46.546 -20.489 -50.3621 -20.1536 6.49684 9.856 -50.6913 7.61249 -30.3339 TIMING: 4721600 CPU: 14744.3, 0.00310717/step Wall: 14744.3, 0.00310717/step, 0.240288 hours remaining, 236.156250 MB of memory in use. ENERGY: 4721600 3911.0760 20470.0436 14336.7942 267.8500 -202923.0173 2652.8612 0.0000 0.0000 52366.0431 -108918.3492 300.9484 -161284.3923 -108545.2762 299.8108 80.9322 108.1573 762768.7555 -23.5241 -23.4610 PRESSURE: 4721800 -342.943 51.2355 -57.0648 51.2355 20.4798 404.629 -57.0654 404.629 216.768 GPRESSURE: 4721800 -283.305 2.58828 -46.7806 197.725 24.4119 401.73 -116.22 372.997 229.957 PRESSAVG: 4721800 -3.44526 1.25447 2.20272 1.25444 25.3707 110.464 2.20267 110.464 3.18984 GPRESSAVG: 4721800 -5.21465 -0.381406 1.81249 2.69898 26.6753 111.869 1.74707 108.979 3.8347 TIMING: 4721800 CPU: 14744.9, 0.00312623/step Wall: 14744.9, 0.00312623/step, 0.241588 hours remaining, 236.156250 MB of memory in use. ENERGY: 4721800 3999.9023 20398.7036 14394.7270 238.7015 -202844.0568 2564.5165 0.0000 0.0000 52180.3310 -109067.1748 299.8811 -161247.5058 -108695.8684 299.6741 -35.2317 -9.6451 763031.7256 8.3718 8.4318 PRESSURE: 4722000 22.263 -175.717 -23.0909 -175.718 45.3783 -106.538 -23.0922 -106.537 -248.821 GPRESSURE: 4722000 97.4548 -45.0667 -110.557 -68.4565 62.8898 -76.9194 -86.4332 -98.6784 -253.051 PRESSAVG: 4722000 5.69799 5.75153 0.206437 5.75148 19.5613 40.4907 0.206369 40.4907 6.94389 GPRESSAVG: 4722000 8.10682 9.59094 0.0340548 6.32609 19.129 40.18 -0.899398 41.7868 4.89528 TIMING: 4722000 CPU: 14745.6, 0.00311901/step Wall: 14745.6, 0.00311901/step, 0.240857 hours remaining, 236.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4722000 4024.0634 20499.3725 14457.5625 243.7817 -202898.3381 2579.8472 0.0000 0.0000 52039.0094 -109054.7013 299.0689 -161093.7108 -108696.1185 299.8332 -60.3932 -30.9020 762701.2504 10.7344 10.7104 PRESSURE: 4722200 -225.635 -18.0845 42.4537 -18.0844 -390.494 129.265 42.4533 129.265 -401.408 GPRESSURE: 4722200 -236.416 14.9276 145.198 -78.1389 -339.883 21.7464 0.126816 188.67 -336.235 PRESSAVG: 4722200 12.7444 36.3689 24.2454 36.3689 -38.7806 14.1638 24.2454 14.1637 18.2415 GPRESSAVG: 4722200 11.8928 33.7693 24.5575 34.1952 -39.0438 12.5423 25.754 15.198 19.139 TIMING: 4722200 CPU: 14746.2, 0.00309645/step Wall: 14746.2, 0.00309645/step, 0.238942 hours remaining, 236.156250 MB of memory in use. ENERGY: 4722200 4010.8689 20401.9534 14476.6051 255.6818 -202847.4908 2449.0736 0.0000 0.0000 52173.9728 -109079.3353 299.8445 -161253.3081 -108721.3458 299.7574 -339.1788 -304.1778 763781.4804 -2.5982 -2.6707 PRESSURE: 4722400 90.2178 115.21 84.4096 115.21 -459.659 438.7 84.409 438.7 -43.1351 GPRESSURE: 4722400 167.967 207.165 34.4417 46.3271 -385.181 347.93 78.9742 340.419 -99.0664 PRESSAVG: 4722400 -27.5716 -23.6365 9.03359 -23.6365 59.4134 70.8429 9.03359 70.8429 -34.3034 GPRESSAVG: 4722400 -26.5676 -23.5213 7.29086 -23.4507 58.7577 72.0409 11.5654 69.2351 -34.8206 TIMING: 4722400 CPU: 14746.8, 0.0031216/step Wall: 14746.8, 0.0031216/step, 0.24071 hours remaining, 236.156250 MB of memory in use. ENERGY: 4722400 4068.0687 20578.8139 14514.6479 245.3560 -203159.1797 2510.7163 0.0000 0.0000 52107.9759 -109133.6010 299.4653 -161241.5769 -108782.2143 299.6217 -137.5256 -105.4266 762964.2891 -0.8205 -0.8768 PRESSURE: 4722600 350.305 125.142 90.418 125.141 -218.771 101.068 90.4181 101.069 100.615 GPRESSURE: 4722600 336.141 59.3755 71.4058 55.25 -144.318 169.82 8.53498 217.087 124.196 PRESSAVG: 4722600 2.89672 63.4921 -17.0324 63.4921 -4.81052 24.3188 -17.0324 24.3188 16.0348 GPRESSAVG: 4722600 2.59739 63.5191 -16.1757 64.661 -5.1611 24.4137 -19.8509 24.7741 16.1556 TIMING: 4722600 CPU: 14747.4, 0.00312146/step Wall: 14747.4, 0.00312146/step, 0.240526 hours remaining, 236.257812 MB of memory in use. ENERGY: 4722600 3974.2662 20391.5158 14412.1117 229.1802 -203117.8810 2730.2746 0.0000 0.0000 52309.4081 -109071.1243 300.6229 -161380.5324 -108708.3151 299.3206 77.3833 105.3395 764409.7425 4.7070 4.5306 PRESSURE: 4722800 3.44855 19.4228 -64.4107 19.4232 -2.34607 -59.8724 -64.4101 -59.8719 -269.223 GPRESSURE: 4722800 47.7757 -27.3191 -97.4416 122.036 -2.63926 -75.0152 1.60132 29.0722 -225.79 PRESSAVG: 4722800 -43.8493 6.22264 -45.2756 6.22262 16.5118 41.1984 -45.2756 41.1984 -48.0167 GPRESSAVG: 4722800 -44.4412 5.13105 -44.2069 8.70443 16.0757 40.0412 -44.3488 41.6234 -46.9919 TIMING: 4722800 CPU: 14748, 0.00310357/step Wall: 14748, 0.00310357/step, 0.238975 hours remaining, 236.257812 MB of memory in use. ENERGY: 4722800 4042.6479 20450.5044 14438.5847 254.3036 -203420.1838 2811.8369 0.0000 0.0000 52421.4007 -109000.9055 301.2665 -161422.3062 -108638.0312 299.8544 -89.3736 -60.2178 763684.1403 -25.1181 -25.1191 PRESSURE: 4723000 371.505 3.11782 220.628 3.11717 197.079 151.492 220.628 151.491 -216.675 GPRESSURE: 4723000 468.68 -44.6912 206.331 31.7582 197.395 164.711 198.387 50.9724 -256.549 PRESSAVG: 4723000 10.1945 29.2506 -18.9679 29.2506 17.6335 56.3082 -18.9679 56.3082 -8.26813 GPRESSAVG: 4723000 10.2944 32.134 -19.0661 26.3972 17.5856 55.9755 -19.7749 56.5426 -8.71713 TIMING: 4723000 CPU: 14748.7, 0.00312268/step Wall: 14748.7, 0.00312268/step, 0.240273 hours remaining, 236.257812 MB of memory in use. ENERGY: 4723000 3919.1048 20627.6116 14593.8403 252.6521 -203424.7642 2808.3748 0.0000 0.0000 52126.7053 -109096.4753 299.5729 -161223.1806 -108738.7911 299.3407 117.3030 136.5086 762170.3069 6.5200 6.3876 PRESSURE: 4723200 143.343 -17.9538 37.0592 -17.9537 79.1319 70.0199 37.0595 70.0222 -135.102 GPRESSURE: 4723200 186.019 178.876 100.126 -22.1608 42.2068 26.0866 154.721 76.6902 -84.1599 PRESSAVG: 4723200 39.8785 -9.35019 -45.7135 -9.35015 -28.5095 18.8643 -45.7136 18.8643 -8.46087 GPRESSAVG: 4723200 39.2075 -11.0885 -45.5888 -9.85313 -28.5843 19.9242 -44.7995 19.2916 -7.63557 TIMING: 4723200 CPU: 14749.3, 0.00312194/step Wall: 14749.3, 0.00312194/step, 0.240042 hours remaining, 236.257812 MB of memory in use. ENERGY: 4723200 4026.3336 20531.0460 14423.8983 255.6329 -203304.8498 2856.9476 0.0000 0.0000 52048.3984 -109162.5931 299.1229 -161210.9914 -108807.7729 299.9182 29.1244 48.0221 763651.6149 0.9694 0.9959 PRESSURE: 4723400 -90.9593 43.4 78.573 43.3996 24.2364 178.772 78.5727 178.772 -217.478 GPRESSURE: 4723400 -52.5167 -22.8241 -1.87101 68.3292 81.271 60.3172 -70.4647 55.3966 -222.652 PRESSAVG: 4723400 1.51191 8.15407 35.5644 8.15406 -27.157 14.8634 35.5643 14.8634 11.278 GPRESSAVG: 4723400 2.25858 9.16569 33.5209 9.11308 -27.1903 14.2792 35.3968 15.7245 9.9705 TIMING: 4723400 CPU: 14749.9, 0.00310749/step Wall: 14749.9, 0.00310749/step, 0.238759 hours remaining, 236.257812 MB of memory in use. ENERGY: 4723400 3977.2714 20479.2057 14510.7025 261.5069 -203560.6682 2710.9318 0.0000 0.0000 52303.9008 -109317.1491 300.5912 -161621.0499 -108953.6561 299.3774 -94.7337 -64.6326 763617.8135 -4.7890 -4.9871 PRESSURE: 4723600 363.676 185.376 -185.123 185.376 123.652 -151.214 -185.123 -151.212 222.84 GPRESSURE: 4723600 297.378 90.6768 -152.232 117.199 256.448 1.81515 -146.955 -177.378 259.243 PRESSAVG: 4723600 -22.7292 24.6477 -4.40679 24.6477 29.8575 -17.706 -4.40681 -17.7059 13.5814 GPRESSAVG: 4723600 -22.4117 22.3267 -3.0966 25.4777 30.174 -18.0058 -6.50553 -21.4902 13.1336 TIMING: 4723600 CPU: 14750.5, 0.00312287/step Wall: 14750.5, 0.00312287/step, 0.239767 hours remaining, 236.246094 MB of memory in use. ENERGY: 4723600 3935.7571 20520.4074 14543.1594 242.7028 -203548.6262 2919.5818 0.0000 0.0000 52012.1065 -109374.9111 298.9143 -161387.0176 -109018.6080 299.4889 236.7229 271.0227 762033.9909 6.9032 6.9653 PRESSURE: 4723800 233.737 -88.6774 2.78722 -88.6774 -221.431 -390.345 2.78725 -390.343 442.761 GPRESSURE: 4723800 254.375 20.0556 57.1921 -24.7594 -140.676 -363.311 -129.074 -294.315 429.456 PRESSAVG: 4723800 -29.9038 41.9294 -21.2035 41.9295 27.215 -0.808386 -21.2036 -0.808398 10.2057 GPRESSAVG: 4723800 -31.0158 42.0554 -21.6453 42.855 27.2796 -1.09405 -19.8992 0.404565 10.5537 TIMING: 4723800 CPU: 14751.2, 0.00311951/step Wall: 14751.2, 0.00311951/step, 0.239336 hours remaining, 236.246094 MB of memory in use. ENERGY: 4723800 3905.7539 20380.5535 14486.6819 269.7540 -202970.8153 2431.4505 0.0000 0.0000 51960.3386 -109536.2830 298.6168 -161496.6216 -109174.4537 298.3100 151.6888 181.0516 762874.7100 2.5056 2.2725 PRESSURE: 4724000 -281.416 99.2617 -105.776 99.2628 -360.228 110.909 -105.776 110.909 225.493 GPRESSURE: 4724000 -149.038 119.853 -122.57 158.804 -359.664 -18.4774 -25.4686 145.97 186.984 PRESSAVG: 4724000 64.6412 0.17016 6.42256 0.1702 -64.1625 -30.3591 6.42253 -30.3591 -24.9178 GPRESSAVG: 4724000 65.2473 2.49027 7.60221 -0.106157 -64.2854 -31.4355 6.21131 -27.9299 -25.633 TIMING: 4724000 CPU: 14751.8, 0.00313036/step Wall: 14751.8, 0.00313036/step, 0.239995 hours remaining, 236.246094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4724000 4060.5509 20442.2100 14523.0734 255.8015 -203329.8966 2680.0368 0.0000 0.0000 51890.6063 -109477.6177 298.2160 -161368.2240 -109111.0370 298.6325 -138.7169 -107.2394 763728.3118 -8.1464 -8.2237 PRESSURE: 4724200 326.592 28.3069 -289.971 28.3069 -147.472 105.17 -289.971 105.17 103.052 GPRESSURE: 4724200 394.501 82.5224 -170.436 -74.0657 -110.265 170.686 -223.657 68.628 92.4213 PRESSAVG: 4724200 34.1754 0.944827 -41.34 0.944873 -49.411 -37.4093 -41.34 -37.4093 -0.711869 GPRESSAVG: 4724200 33.6117 -0.311587 -41.5945 -0.0977476 -49.4102 -36.2161 -41.4555 -38.4475 0.226634 TIMING: 4724200 CPU: 14752.4, 0.00311309/step Wall: 14752.4, 0.00311309/step, 0.238497 hours remaining, 236.246094 MB of memory in use. ENERGY: 4724200 3983.5222 20537.4827 14526.3969 279.2866 -203513.4717 2841.7929 0.0000 0.0000 51991.0100 -109353.9803 298.7930 -161344.9903 -109002.8037 298.5501 94.0573 125.5523 762733.5598 -5.3158 -5.1906 LDB: ============= START OF LOAD BALANCING ============== 14764.9 LDB: ============== END OF LOAD BALANCING =============== 14764.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14764.9 LDB: ============= START OF LOAD BALANCING ============== 14765.2 LDB: Largest compute 7060 load 0.031864 is 16.3% of average load 0.195421 LDB: Average compute 0.004393 is 2.2% of average load 0.195421 LDB: TIME 14765.2 LOAD: AVG 0.195421 MAX 0.215262 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.363 MB LDB: TIME 14765.2 LOAD: AVG 0.195421 MAX 0.215262 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.566 MB LDB: TIME 14765.2 LOAD: AVG 0.195421 MAX 0.215262 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.566 MB LDB: ============== END OF LOAD BALANCING =============== 14765.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14765.2 PRESSURE: 4724400 -56.5496 92.994 -43.4757 92.9946 1.21713 209.279 -43.4744 209.279 -261.338 GPRESSURE: 4724400 52.1696 93.9786 -134.868 86.8717 -74.8178 224.191 71.4444 254.299 -207.685 PRESSAVG: 4724400 28.4988 -51.3469 -14.7658 -51.3469 -47.2425 27.6265 -14.7658 27.6266 -16.2679 GPRESSAVG: 4724400 29.1801 -50.9346 -14.8099 -51.2284 -48.4938 28.8278 -15.4754 27.209 -15.4017 TIMING: 4724400 CPU: 14753, 0.00317422/step Wall: 14753, 0.00317422/step, 0.243004 hours remaining, 233.390625 MB of memory in use. ENERGY: 4724400 4002.0284 20492.3116 14424.2289 252.3966 -203258.8840 2764.5477 0.0000 0.0000 52022.7188 -109300.6521 298.9753 -161323.3709 -108934.1780 298.7519 -105.5569 -76.7779 761771.2373 -11.6705 -11.5718 PRESSURE: 4724600 115.115 20.0169 -15.7493 20.0178 26.2362 96.9424 -15.7493 96.9427 71.0056 GPRESSURE: 4724600 114.404 -99.3873 29.0593 122.417 91.8213 -49.694 -102.679 151.961 85.3604 PRESSAVG: 4724600 42.7209 3.14193 30.2525 3.14198 -41.2729 44.3387 30.2524 44.3386 -2.3597 GPRESSAVG: 4724600 42.5013 4.58833 30.4008 2.39152 -40.1395 41.4772 30.1481 44.2146 -2.99914 TIMING: 4724600 CPU: 14753.7, 0.00307885/step Wall: 14753.7, 0.00307885/step, 0.235532 hours remaining, 233.605469 MB of memory in use. ENERGY: 4724600 3940.9569 20675.9730 14438.0520 254.3965 -203486.8656 3091.9468 0.0000 0.0000 51941.9818 -109143.5585 298.5113 -161085.5404 -108790.9658 299.0659 70.7857 97.1952 762828.7453 -0.3039 -0.2124 PRESSURE: 4724800 -249.922 -348.558 -73.7856 -348.557 74.9998 0.745536 -73.7864 0.746714 91.4646 GPRESSURE: 4724800 -203.897 -291.932 -27.1214 -317.658 71.1659 -6.7839 -141.271 55.3625 128.887 PRESSAVG: 4724800 55.4103 -42.2925 -41.8457 -42.2925 -18.7011 27.7532 -41.8456 27.7532 -6.57115 GPRESSAVG: 4724800 55.9836 -43.6224 -41.6501 -41.2202 -18.7666 29.6075 -41.3124 28.2949 -7.06551 TIMING: 4724800 CPU: 14754.3, 0.00308687/step Wall: 14754.3, 0.00308687/step, 0.235974 hours remaining, 233.605469 MB of memory in use. ENERGY: 4724800 4031.8256 20654.3622 14460.6914 250.8744 -203167.2659 2681.6739 0.0000 0.0000 51999.9041 -109087.9343 298.8442 -161087.8383 -108725.4382 299.4821 -27.8191 -1.2814 763712.1654 10.0460 10.0505 PRESSURE: 4725000 328.45 -145.019 -55.4383 -145.018 -239.774 -47.3757 -55.4383 -47.3757 -107.475 GPRESSURE: 4725000 346.397 -106.178 -18.8369 -128.305 -152.84 -75.6589 -242.512 -11.1031 -100.558 PRESSAVG: 4725000 96.0313 -47.3532 -46.8778 -47.3532 -75.3326 35.977 -46.8778 35.9771 14.2353 GPRESSAVG: 4725000 96.1194 -47.5461 -46.8962 -47.4997 -75.6619 37.3153 -46.057 36.0401 14.5548 TIMING: 4725000 CPU: 14754.9, 0.00309701/step Wall: 14754.9, 0.00309701/step, 0.236577 hours remaining, 233.605469 MB of memory in use. ENERGY: 4725000 4054.5342 20539.9926 14386.5806 259.5988 -203421.1913 2713.5270 0.0000 0.0000 52296.6903 -109170.2678 300.5498 -161466.9582 -108805.3355 299.8053 -6.2662 30.9996 761430.4193 11.6446 11.6707 PRESSURE: 4725200 -246.574 66.142 -103.779 66.1408 130.071 1.92572 -103.779 1.92529 -85.9301 GPRESSURE: 4725200 -309.053 50.7903 9.55239 23.3883 201.021 34.059 14.256 78.4646 -2.92093 PRESSAVG: 4725200 3.33576 60.8136 -22.1161 60.8135 12.626 12.3111 -22.116 12.3111 1.85223 GPRESSAVG: 4725200 1.79202 62.2353 -22.0988 58.2865 13.6353 10.5771 -20.7881 10.6051 2.42858 TIMING: 4725200 CPU: 14755.5, 0.00310578/step Wall: 14755.5, 0.00310578/step, 0.237075 hours remaining, 233.605469 MB of memory in use. ENERGY: 4725200 4048.8716 20531.6009 14458.0287 237.4143 -203187.7440 2625.7266 0.0000 0.0000 52134.5723 -109151.5295 299.6181 -161286.1018 -108791.5087 300.1231 -67.4776 -36.9844 762151.8650 5.9380 5.9520 PRESSURE: 4725400 80.5446 -141.443 -257.028 -141.444 -241.84 129.953 -257.028 129.953 -240.654 GPRESSURE: 4725400 93.3534 -181.542 -309.348 -32.4298 -178.438 137.157 -156.359 33.3517 -244.513 PRESSAVG: 4725400 104.747 50.508 -45.726 50.5079 -87.8327 18.1219 -45.726 18.1218 12.6182 GPRESSAVG: 4725400 105.095 47.7782 -46.5725 52.6999 -86.809 18.6069 -45.7066 17.9434 11.4727 TIMING: 4725400 CPU: 14756.1, 0.00311944/step Wall: 14756.1, 0.00311944/step, 0.237944 hours remaining, 233.605469 MB of memory in use. ENERGY: 4725400 3963.4999 20431.6982 14408.6633 223.8029 -203299.2514 2568.2128 0.0000 0.0000 52398.5925 -109304.7818 301.1354 -161703.3743 -108928.0113 300.0354 -133.9832 -109.8657 761961.3959 9.8441 9.9196 PRESSURE: 4725600 -41.686 9.93484 -59.8311 9.93466 305.082 33.6587 -59.8325 33.6584 -57.7998 GPRESSURE: 4725600 -11.12 47.4935 -37.1384 47.9628 253.966 113.616 -54.2057 61.5917 40.9631 PRESSAVG: 4725600 9.66102 23.1768 13.5772 23.1769 -57.8824 -14.4145 13.5773 -14.4146 14.3121 GPRESSAVG: 4725600 9.14699 23.6033 16.9376 23.9629 -58.681 -13.1382 12.472 -14.4913 14.8903 TIMING: 4725600 CPU: 14756.8, 0.00311613/step Wall: 14756.8, 0.00311613/step, 0.237518 hours remaining, 233.605469 MB of memory in use. ENERGY: 4725600 3934.1001 20652.6074 14404.9847 245.8666 -203120.7676 2516.3928 0.0000 0.0000 52027.2279 -109339.5881 299.0012 -161366.8161 -108977.8854 299.2199 68.5322 94.6030 761036.6006 -11.3031 -11.5479 PRESSURE: 4725800 72.362 -157.322 88.8151 -157.322 -90.3098 -34.5011 88.815 -34.5019 236.14 GPRESSURE: 4725800 111.281 -285.84 92.9089 -116.948 -23.3412 -41.8118 29.1729 61.3383 206.695 PRESSAVG: 4725800 53.7443 -17.4693 -16.5292 -17.4692 -30.3277 -1.84597 -16.5292 -1.84602 15.9896 GPRESSAVG: 4725800 54.7303 -16.3331 -19.6179 -17.9884 -30.6999 -3.37409 -14.3713 0.998901 15.0446 TIMING: 4725800 CPU: 14757.4, 0.00310474/step Wall: 14757.4, 0.00310474/step, 0.236478 hours remaining, 233.605469 MB of memory in use. ENERGY: 4725800 3918.8011 20415.4326 14487.1493 226.9211 -202954.2107 2429.0606 0.0000 0.0000 52118.8118 -109358.0341 299.5275 -161476.8459 -108989.9509 299.1033 72.7306 98.2114 759984.7114 13.1354 13.0250 PRESSURE: 4726000 343.212 88.4345 20.3326 88.4341 -134.555 55.219 20.3329 55.2168 -314.5 GPRESSURE: 4726000 367.791 58.3379 -37.7715 57.7031 -92.8726 47.5052 -69.9902 -16.7851 -327.195 PRESSAVG: 4726000 -0.384634 -51.7463 -7.25549 -51.7463 9.53122 7.36193 -7.2555 7.36196 -5.75972 GPRESSAVG: 4726000 -0.00184793 -54.9935 -6.05643 -52.875 8.34049 8.26603 -10.4922 5.21637 -5.45448 TIMING: 4726000 CPU: 14758, 0.00310737/step Wall: 14758, 0.00310737/step, 0.236505 hours remaining, 233.605469 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: 4726000 4052.9967 20512.6151 14432.6716 227.3916 -203337.2737 2693.8252 0.0000 0.0000 52155.6681 -109262.1054 299.7393 -161417.7735 -108909.1284 299.2071 -35.2811 -17.4255 759940.8824 1.1290 0.9614 PRESSURE: 4726200 -171.098 47.9696 -160.83 47.9683 -469.744 -91.4447 -160.83 -91.4439 135.764 GPRESSURE: 4726200 -109.85 -2.2359 -217.005 23.1606 -345.494 -25.8248 -141.557 -101.061 13.5763 PRESSAVG: 4726200 41.6523 -7.28185 -17.3695 -7.2818 -38.0586 24.3139 -17.3696 24.3138 -13.94 GPRESSAVG: 4726200 39.8948 -6.3181 -17.5098 -8.1419 -36.2991 24.8408 -16.7756 23.4423 -13.0117 TIMING: 4726200 CPU: 14758.6, 0.00310322/step Wall: 14758.6, 0.00310322/step, 0.236017 hours remaining, 233.605469 MB of memory in use. ENERGY: 4726200 4043.2168 20540.8383 14349.2948 234.1938 -203006.2012 2604.7363 0.0000 0.0000 52253.6560 -108980.2652 300.3025 -161233.9212 -108621.6853 299.3993 -168.3592 -147.2557 763748.0685 -3.4488 -3.1387 PRESSURE: 4726400 -135.789 -61.4178 -379.03 -61.4181 -342.078 -21.4691 -379.03 -21.4707 -2.98946 GPRESSURE: 4726400 -142.176 -26.0671 -327.517 -9.97873 -309.83 -163.751 -361.425 28.5176 61.8632 PRESSAVG: 4726400 10.6192 -46.2993 -36.6149 -46.2993 28.4008 -18.1293 -36.6148 -18.1294 11.2147 GPRESSAVG: 4726400 11.7367 -42.8396 -35.7874 -47.9778 27.1852 -19.4861 -36.6452 -14.6133 11.5382 TIMING: 4726400 CPU: 14759.3, 0.00310909/step Wall: 14759.3, 0.00310909/step, 0.236291 hours remaining, 233.605469 MB of memory in use. ENERGY: 4726400 3996.6658 20685.7302 14429.2251 247.8623 -203004.5322 2661.4394 0.0000 0.0000 52032.4324 -108951.1770 299.0311 -160983.6094 -108590.2133 299.5033 -160.2855 -130.0475 763784.6872 16.7449 16.8200 PRESSURE: 4726600 -324.485 163.29 -10.4311 163.29 -128.039 -177.408 -10.4313 -177.408 -1.50876 GPRESSURE: 4726600 -287.913 180.583 1.24423 101.727 -148.949 -165.678 -63.2669 -192.654 80.5906 PRESSAVG: 4726600 -7.96523 6.69369 -8.8097 6.69372 -58.6205 23.1666 -8.80972 23.1666 2.69377 GPRESSAVG: 4726600 -8.62481 3.4975 -9.38759 10.7843 -57.283 23.3729 -9.96677 20.3545 1.23266 TIMING: 4726600 CPU: 14759.9, 0.00308091/step Wall: 14759.9, 0.00308091/step, 0.233978 hours remaining, 233.605469 MB of memory in use. ENERGY: 4726600 4054.1909 20597.9526 14461.2959 247.5186 -203232.5001 2718.9245 0.0000 0.0000 52027.5327 -109125.0848 299.0029 -161152.6175 -108754.8720 299.3013 -151.3441 -118.7570 763993.9349 -21.2973 -21.5584 PRESSURE: 4726800 -7.09303 -59.8638 78.3632 -59.8641 -83.3655 109.549 78.3637 109.548 -348.121 GPRESSURE: 4726800 5.40014 -22.1928 80.0585 9.43102 30.81 113.907 49.2861 179.293 -380.714 PRESSAVG: 4726800 24.6276 6.75757 -27.2842 6.75755 -32.4984 -12.7789 -27.2843 -12.7789 -19.6268 GPRESSAVG: 4726800 22.7045 5.52488 -27.9668 5.61061 -31.6636 -11.6957 -25.4922 -11.6837 -18.9684 TIMING: 4726800 CPU: 14760.5, 0.00310136/step Wall: 14760.5, 0.00310136/step, 0.235359 hours remaining, 233.605469 MB of memory in use. ENERGY: 4726800 4000.1656 20480.4912 14417.2490 243.1356 -202872.3830 2578.9409 0.0000 0.0000 51858.4407 -109293.9599 298.0312 -161152.4007 -108929.9091 298.7692 -146.1933 -114.8348 763550.7680 -9.1659 -9.3092 PRESSURE: 4727000 -55.6864 -103.111 -12.2663 -103.111 -12.694 40.4687 -12.2667 40.4693 13.9423 GPRESSURE: 4727000 -21.9714 -205.076 -12.077 -34.8942 69.7481 -126.223 68.9952 19.6364 -24.2598 PRESSAVG: 4727000 -6.86533 -8.55062 -40.7365 -8.55069 -6.12971 -7.36287 -40.7365 -7.36279 -1.62353 GPRESSAVG: 4727000 -4.89143 -8.47776 -38.7369 -8.78127 -6.98922 -8.71891 -42.5001 -7.53646 -3.03192 TIMING: 4727000 CPU: 14761.1, 0.00308083/step Wall: 14761.1, 0.00308083/step, 0.233629 hours remaining, 233.605469 MB of memory in use. ENERGY: 4727000 3963.5352 20535.4132 14450.0223 259.8776 -203306.8618 2681.4572 0.0000 0.0000 51925.5335 -109491.0227 298.4168 -161416.5562 -109124.6958 298.7273 -18.1460 7.8390 762335.5684 -4.8729 -4.9709 PRESSURE: 4727200 -134.222 27.1451 -155.943 27.1447 -81.6683 -3.04927 -155.943 -3.04968 -222.878 GPRESSURE: 4727200 7.90674 28.6941 -134.464 -63.0878 -104.984 -61.6444 -134.457 -38.3031 -250.341 PRESSAVG: 4727200 39.9591 -18.9032 -48.6804 -18.9032 -13.7943 32.4736 -48.6805 32.4736 -3.30557 GPRESSAVG: 4727200 39.6954 -19.8223 -49.2027 -17.8094 -14.5398 32.8549 -46.2803 32.9586 -1.78412 TIMING: 4727200 CPU: 14761.7, 0.00308894/step Wall: 14761.7, 0.00308894/step, 0.234073 hours remaining, 233.605469 MB of memory in use. ENERGY: 4727200 4021.8041 20633.4723 14340.4422 256.9959 -203419.2881 2633.2979 0.0000 0.0000 51753.1438 -109780.1320 297.4260 -161533.2757 -109405.5690 298.2135 -146.2560 -115.8060 762361.1783 7.6197 7.7905 PRESSURE: 4727400 -55.5992 -27.5385 -196.132 -27.5387 110.644 -36.1879 -196.132 -36.1879 373.866 GPRESSURE: 4727400 -7.1509 -27.4455 -103.975 30.2848 158.186 42.2541 -123.743 0.275914 368.41 PRESSAVG: 4727400 14.9983 19.9182 -106.054 19.9181 -1.9401 14.6436 -106.054 14.6436 -6.155 GPRESSAVG: 4727400 15.2285 21.6729 -107.425 17.7379 -0.98352 14.2858 -106.517 14.6 -6.62889 TIMING: 4727400 CPU: 14762.3, 0.00308548/step Wall: 14762.3, 0.00308548/step, 0.23364 hours remaining, 233.605469 MB of memory in use. ENERGY: 4727400 4012.7934 20487.0464 14408.8274 259.2664 -203163.0884 2680.7777 0.0000 0.0000 51835.7660 -109478.6111 297.9009 -161314.3771 -109118.1388 298.1001 142.9703 173.1483 762249.8557 2.3011 2.5387 PRESSURE: 4727600 -0.706375 -30.3894 111.867 -30.3895 -80.8279 -20.4882 111.867 -20.4884 -215.093 GPRESSURE: 4727600 -57.7466 65.1498 155.731 -88.9437 -3.2306 17.2199 95.7741 -151.342 -152.518 PRESSAVG: 4727600 -25.1794 -27.3839 -30.61 -27.3839 45.9144 -9.95798 -30.61 -9.95794 10.7627 GPRESSAVG: 4727600 -24.8698 -26.6313 -29.3171 -25.9582 45.679 -9.00911 -31.2359 -10.6738 10.4699 TIMING: 4727600 CPU: 14763, 0.00309619/step Wall: 14763, 0.00309619/step, 0.234278 hours remaining, 233.605469 MB of memory in use. ENERGY: 4727600 3989.1808 20467.0371 14418.4254 245.5978 -203136.1527 2530.3248 0.0000 0.0000 52046.1382 -109439.4486 299.1099 -161485.5868 -109074.2339 298.3787 -98.8757 -71.1650 761613.4865 10.4992 10.4264 PRESSURE: 4727800 295.737 -27.6972 8.90554 -27.697 33.2487 -320.989 8.90599 -320.989 -61.5026 GPRESSURE: 4727800 265.396 -17.4168 -20.7777 -107.207 69.2698 -259.651 -118.206 -298.115 27.9287 PRESSAVG: 4727800 3.67584 0.962503 20.5966 0.962577 -14.7319 -61.734 20.5966 -61.734 18.5996 GPRESSAVG: 4727800 1.93314 -0.244611 22.1845 2.54968 -13.6943 -62.2095 20.0614 -59.2666 19.4893 TIMING: 4727800 CPU: 14763.6, 0.00309967/step Wall: 14763.6, 0.00309967/step, 0.23437 hours remaining, 233.605469 MB of memory in use. ENERGY: 4727800 3994.7214 20527.6728 14427.8094 238.4201 -203404.1975 2762.7501 0.0000 0.0000 52205.3503 -109247.4736 300.0249 -161452.8238 -108876.8662 299.1603 89.1611 120.8648 760831.0962 2.5145 2.5760 PRESSURE: 4728000 67.3588 214.963 112.921 214.962 60.7676 -10.048 112.922 -10.0477 373.707 GPRESSURE: 4728000 78.1102 186.462 85.4102 216.187 106.119 46.025 163.223 98.3578 431.019 PRESSAVG: 4728000 -13.8491 -15.0838 -19.8401 -15.0839 15.8496 -35.222 -19.8401 -35.222 -2.71392 GPRESSAVG: 4728000 -12.5613 -13.8924 -23.2678 -17.0964 14.9038 -33.9282 -18.6127 -38.6233 -2.98142 TIMING: 4728000 CPU: 14764.2, 0.00307993/step Wall: 14764.2, 0.00307993/step, 0.232706 hours remaining, 233.605469 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: 4728000 4015.0359 20429.5271 14423.6355 247.8995 -203405.2541 2782.0282 0.0000 0.0000 52318.3659 -109188.7620 300.6744 -161507.1279 -108826.7249 299.6313 167.2777 205.0825 762772.4563 -0.2378 -0.2130 PRESSURE: 4728200 97.905 -8.83577 172.339 -8.83629 -2.15872 -146.819 172.339 -146.819 342.507 GPRESSURE: 4728200 131.68 -47.6429 187.942 -151.694 101.842 -122.804 16.9239 -131.688 295.666 PRESSAVG: 4728200 -15.065 1.13722 -28.1802 1.13726 -33.0221 36.5261 -28.1803 36.526 33.6512 GPRESSAVG: 4728200 -16.722 1.68314 -26.7605 1.35174 -32.0119 33.6358 -28.9599 37.7567 34.6893 TIMING: 4728200 CPU: 14764.8, 0.00306988/step Wall: 14764.8, 0.00306988/step, 0.231776 hours remaining, 233.605469 MB of memory in use. ENERGY: 4728200 4017.4643 20485.3715 14372.3701 247.1758 -202989.5871 2541.3330 0.0000 0.0000 52262.4142 -109063.4581 300.3528 -161325.8723 -108692.9062 299.2448 146.0846 176.3960 763385.5975 -4.8120 -4.6815 LDB: ============= START OF LOAD BALANCING ============== 14777.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14777.3 LDB: =============== DONE WITH MIGRATION ================ 14777.3 LDB: ============= START OF LOAD BALANCING ============== 14777.6 LDB: Largest compute 7056 load 0.033047 is 16.9% of average load 0.195375 LDB: Average compute 0.004385 is 2.2% of average load 0.195375 LDB: TIME 14777.6 LOAD: AVG 0.195375 MAX 0.217961 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.094 MB LDB: TIME 14777.6 LOAD: AVG 0.195375 MAX 0.217961 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.094 MB LDB: TIME 14777.6 LOAD: AVG 0.195375 MAX 0.217961 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.094 MB LDB: ============== END OF LOAD BALANCING =============== 14777.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14777.6 PRESSURE: 4728400 110.378 29.1931 298.841 29.1921 -28.0479 60.4969 298.841 60.4972 -371.017 GPRESSURE: 4728400 203.665 44.758 294.847 73.2552 -74.7088 55.194 220.469 27.0622 -332.712 PRESSAVG: 4728400 -6.32372 17.573 -13.5192 17.5731 -11.718 -23.4944 -13.5193 -23.4943 23.9703 GPRESSAVG: 4728400 -4.55051 18.663 -13.6464 17.3841 -12.7105 -21.8212 -15.5847 -20.2536 23.0879 TIMING: 4728400 CPU: 14765.4, 0.00315218/step Wall: 14765.4, 0.00315218/step, 0.237815 hours remaining, 233.093750 MB of memory in use. ENERGY: 4728400 3970.0432 20679.1595 14373.7683 241.9928 -203198.0868 2899.0761 0.0000 0.0000 51943.8634 -109090.1835 298.5221 -161034.0469 -108731.6837 299.0865 -96.2288 -67.9184 764036.0272 1.9762 1.9423 PRESSURE: 4728600 -94.7433 -42.5433 -65.6698 -42.5434 20.6311 173.505 -65.6695 173.505 178.803 GPRESSURE: 4728600 -109.583 17.6014 -97.4223 -51.892 40.0431 245.523 -231.803 148.697 242.517 PRESSAVG: 4728600 -6.39727 52.9615 -23.175 52.9615 70.9033 -12.1589 -23.175 -12.1589 14.3298 GPRESSAVG: 4728600 -6.08048 51.4875 -22.8316 52.8055 70.4555 -12.1986 -20.8672 -15.4012 14.7397 TIMING: 4728600 CPU: 14766.1, 0.0030975/step Wall: 14766.1, 0.0030975/step, 0.233517 hours remaining, 233.093750 MB of memory in use. ENERGY: 4728600 4037.9183 20775.6747 14397.9293 243.0232 -203061.6064 2468.5360 0.0000 0.0000 51920.7326 -109217.7922 298.3892 -161138.5249 -108862.6930 299.3445 34.8971 57.6591 762429.2947 26.2786 26.3716 PRESSURE: 4728800 -176.69 -94.6903 135.029 -94.6901 -259.204 -343.784 135.03 -343.784 -200.337 GPRESSURE: 4728800 -212.371 -115.585 199.016 -21.9342 -189.73 -402.756 118.11 -277.143 -174.212 PRESSAVG: 4728800 -103.879 -8.57576 -16.9884 -8.57578 53.3503 53.3686 -16.9884 53.3686 -18.3811 GPRESSAVG: 4728800 -104.589 -8.1439 -17.7717 -8.72107 52.8744 53.8197 -16.8729 53.0743 -17.2986 TIMING: 4728800 CPU: 14766.7, 0.0031065/step Wall: 14766.7, 0.0031065/step, 0.234023 hours remaining, 233.093750 MB of memory in use. ENERGY: 4728800 4029.0887 20638.9276 14431.9965 231.8356 -203179.9617 2580.4980 0.0000 0.0000 51918.4953 -109349.1200 298.3763 -161267.6153 -108976.4050 298.2436 -212.0771 -192.1044 763251.6111 -22.9700 -23.0044 PRESSURE: 4729000 157.505 -212.594 -350.737 -212.594 -189.991 232.637 -350.737 232.637 -67.0758 GPRESSURE: 4729000 177.558 -203.596 -341.296 -57.7539 -181.578 270.103 -224.31 63.1576 -2.33584 PRESSAVG: 4729000 52.0166 -38.2415 -44.4393 -38.2414 -17.1411 -21.2942 -44.4393 -21.2943 2.16592 GPRESSAVG: 4729000 52.9109 -39.3126 -43.7079 -36.5614 -16.0672 -22.4437 -44.8336 -17.7228 0.410475 TIMING: 4729000 CPU: 14767.3, 0.00309081/step Wall: 14767.3, 0.00309081/step, 0.232669 hours remaining, 233.093750 MB of memory in use. ENERGY: 4729000 3974.7830 20502.4380 14430.1635 231.3994 -203221.9030 2584.9860 0.0000 0.0000 52286.7306 -109211.4026 300.4926 -161498.1332 -108847.3519 299.5754 -33.1873 -2.1184 762007.2912 12.3471 12.4181 PRESSURE: 4729200 -184.955 40.4766 141.076 40.4769 -224.296 -100.89 141.076 -100.891 55.8382 GPRESSURE: 4729200 -54.2038 105.678 156.067 18.416 -250.481 16.1267 -17.0539 -131.162 35.2563 PRESSAVG: 4729200 41.928 -24.6868 -28.1711 -24.6868 -21.741 48.1249 -28.1712 48.125 45.7371 GPRESSAVG: 4729200 42.723 -24.6989 -28.1147 -26.3328 -24.2197 49.8108 -26.1449 46.6388 47.5473 TIMING: 4729200 CPU: 14767.9, 0.00311011/step Wall: 14767.9, 0.00311011/step, 0.23395 hours remaining, 233.093750 MB of memory in use. ENERGY: 4729200 4015.5367 20576.9322 14472.5823 244.8111 -203053.0513 2586.9275 0.0000 0.0000 52082.0876 -109074.1740 299.3165 -161156.2615 -108708.2037 299.5299 -117.8045 -89.8096 762877.8902 21.9747 22.0169 PRESSURE: 4729400 -326.629 -124.548 -38.49 -124.548 51.9058 54.6281 -38.4901 54.6288 -217.762 GPRESSURE: 4729400 -194.646 -186.954 -105.738 7.79098 37.4161 -17.1824 56.8714 6.888 -259.939 PRESSAVG: 4729400 -34.0579 -7.86834 -35.4615 -7.86831 47.9029 -36.2142 -35.4615 -36.2142 -6.62264 GPRESSAVG: 4729400 -34.7535 -7.15546 -36.2956 -8.93982 48.8666 -37.6424 -35.8441 -38.2934 -6.6728 TIMING: 4729400 CPU: 14768.5, 0.0031054/step Wall: 14768.5, 0.0031054/step, 0.233422 hours remaining, 233.093750 MB of memory in use. ENERGY: 4729400 3926.4739 20572.0339 14415.7238 262.7880 -203168.3353 2723.7134 0.0000 0.0000 52251.5369 -109016.0655 300.2903 -161267.6024 -108647.7210 299.9995 -164.1615 -139.0565 764542.6236 2.4075 2.4801 PRESSURE: 4729600 -50.5882 -154.79 38.3859 -154.791 198.904 44.5676 38.3862 44.5667 -268.212 GPRESSURE: 4729600 15.0594 -109.808 64.2307 -127.05 137.251 52.9999 44.3997 85.0631 -206.863 PRESSAVG: 4729600 29.6274 -13.5102 -58.6724 -13.5102 6.51089 10.913 -58.6724 10.913 27.2987 GPRESSAVG: 4729600 29.838 -12.4173 -58.4526 -12.5285 6.75103 13.1542 -58.446 9.2845 26.7787 TIMING: 4729600 CPU: 14769.2, 0.00309495/step Wall: 14769.2, 0.00309495/step, 0.232465 hours remaining, 233.093750 MB of memory in use. ENERGY: 4729600 3955.3207 20611.5180 14438.6171 261.8508 -202873.6165 2757.2995 0.0000 0.0000 52033.2151 -108815.7953 299.0356 -160849.0103 -108452.8857 299.4886 -39.9654 -18.1844 765056.6143 21.1457 21.1226 PRESSURE: 4729800 128.421 -110.587 219.399 -110.587 -251.413 44.7119 219.399 44.7119 26.8629 GPRESSURE: 4729800 117.865 -32.3073 183.847 -196.953 -193.168 -32.6378 161.86 108.978 58.1352 PRESSAVG: 4729800 43.0322 9.91508 6.36985 9.91508 -57.9868 -6.26537 6.36984 -6.26543 16.1104 GPRESSAVG: 4729800 43.9842 8.35281 6.01783 10.8399 -58.1195 -8.93088 6.51037 -3.58509 15.3062 TIMING: 4729800 CPU: 14769.8, 0.00312093/step Wall: 14769.8, 0.00312093/step, 0.234243 hours remaining, 233.093750 MB of memory in use. ENERGY: 4729800 3976.9941 20527.7505 14454.5607 252.9555 -202792.0938 2619.0503 0.0000 0.0000 52071.4020 -108889.3808 299.2551 -160960.7828 -108526.5198 299.2335 -32.0429 -5.7224 766378.0098 0.3852 0.3903 PRESSURE: 4730000 -39.7104 -4.65136 -18.2785 -4.65042 124.617 201.863 -18.2779 201.863 361.048 GPRESSURE: 4730000 54.8862 -31.2398 -75.4365 -112.795 68.6886 102.177 57.5812 182.304 410.729 PRESSAVG: 4730000 -7.92775 -34.8158 -34.1751 -34.8158 -23.4349 29.541 -34.1751 29.541 19.5911 GPRESSAVG: 4730000 -7.83823 -33.796 -32.8328 -37.2146 -23.9522 30.6343 -34.552 30.2428 20.4524 TIMING: 4730000 CPU: 14770.4, 0.00311811/step Wall: 14770.4, 0.00311811/step, 0.233858 hours remaining, 233.093750 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: 4730000 3977.5615 20552.6145 14457.0736 251.7514 -203338.3820 3010.3084 0.0000 0.0000 52063.5615 -109025.5111 299.2100 -161089.0727 -108662.6460 299.6432 148.6513 178.1014 764640.0896 -3.9239 -3.7793 PRESSURE: 4730200 -181.971 41.1737 117.554 41.1737 -26.6594 -173.332 117.554 -173.332 -388.672 GPRESSURE: 4730200 -149.728 -5.72055 105.569 29.4347 46.6772 -194.771 88.7826 -113.677 -406.973 PRESSAVG: 4730200 35.9227 -14.2398 -35.0432 -14.2398 10.6646 -14.7251 -35.0432 -14.725 -15.2696 GPRESSAVG: 4730200 35.7088 -14.7962 -34.8211 -11.5958 11.6224 -14.347 -34.3711 -15.2679 -15.4357 TIMING: 4730200 CPU: 14771, 0.00310816/step Wall: 14771, 0.00310816/step, 0.232939 hours remaining, 233.093750 MB of memory in use. ENERGY: 4730200 3952.7707 20473.3894 14499.5020 254.1454 -202784.2937 2480.6192 0.0000 0.0000 52162.6434 -108961.2236 299.7794 -161123.8670 -108582.4328 299.5720 -199.1008 -170.0080 764170.8698 10.4392 10.6318 PRESSURE: 4730400 296.514 16.7397 -80.2832 16.7409 5.6382 -148.078 -80.2832 -148.079 176.873 GPRESSURE: 4730400 364.277 131.487 -51.8391 146.968 44.6109 -123.202 -127.394 -77.9188 127.66 PRESSAVG: 4730400 9.56588 -7.35547 4.63055 -7.35553 38.517 -2.46247 4.63059 -2.46242 3.47349 GPRESSAVG: 4730400 10.0301 -5.80227 3.16171 -7.46893 37.8458 -2.4099 5.61661 -2.82841 4.06896 TIMING: 4730400 CPU: 14771.6, 0.00309429/step Wall: 14771.6, 0.00309429/step, 0.231728 hours remaining, 233.093750 MB of memory in use. ENERGY: 4730400 3966.5014 20774.3901 14509.7654 262.9307 -203609.7870 3000.5893 0.0000 0.0000 52048.8056 -109046.8045 299.1252 -161095.6101 -108692.2699 299.5505 159.6749 178.8495 762433.1684 17.1855 17.3150 PRESSURE: 4730600 103.113 144.933 32.7598 144.932 -121.545 29.7711 32.7591 29.7701 -78.1493 GPRESSURE: 4730600 179.962 254.707 59.1653 152.728 -42.7428 -46.5046 -62.9992 119.746 -159.168 PRESSAVG: 4730600 108.106 -10.6877 26.3135 -10.6877 -126.633 5.96715 26.3135 5.96705 -1.93786 GPRESSAVG: 4730600 107.19 -10.8889 27.6615 -11.7908 -125.34 5.82899 23.8869 6.41474 -3.05527 TIMING: 4730600 CPU: 14772.3, 0.00310504/step Wall: 14772.3, 0.00310504/step, 0.23236 hours remaining, 233.093750 MB of memory in use. ENERGY: 4730600 4019.5310 20475.8207 14448.2981 253.8753 -203335.3465 2706.0297 0.0000 0.0000 52266.1524 -109165.6395 300.3743 -161431.7918 -108793.9927 299.8088 -32.1940 -7.3163 764104.6230 -6.8215 -7.0687 PRESSURE: 4730800 23.744 -126.502 217.54 -126.501 -650.331 366.296 217.541 366.296 47.42 GPRESSURE: 4730800 44.2289 -204.049 198.818 66.8924 -594.717 404.057 125.152 353.698 72.8901 PRESSAVG: 4730800 23.8909 -22.4157 -8.41371 -22.4158 -30.1833 61.0421 -8.41372 61.0421 -36.9842 GPRESSAVG: 4730800 22.6585 -24.5291 -8.76616 -19.6368 -30.0309 61.2203 -7.34969 60.7321 -36.0767 TIMING: 4730800 CPU: 14772.9, 0.0031083/step Wall: 14772.9, 0.0031083/step, 0.232431 hours remaining, 233.093750 MB of memory in use. ENERGY: 4730800 3945.0488 20539.4715 14420.1967 249.7467 -203393.9081 2681.4542 0.0000 0.0000 52216.6419 -109341.3482 300.0898 -161557.9901 -108975.2148 299.4007 -193.0558 -159.1995 762800.0249 -14.4255 -14.4830 PRESSURE: 4731000 -194.608 -41.1139 135.242 -41.1138 237.891 -96.7766 135.242 -96.7765 86.8934 GPRESSURE: 4731000 11.6181 -125.989 161.632 -42.158 176.454 -135.356 135.225 -76.4123 12.9084 PRESSAVG: 4731000 -12.528 7.92594 13.3476 7.92597 -4.373 21.2029 13.3476 21.203 2.55619 GPRESSAVG: 4731000 -12.5328 7.60333 13.5002 6.30731 -5.10977 20.0737 13.1098 21.3681 3.466 TIMING: 4731000 CPU: 14773.5, 0.00311543/step Wall: 14773.5, 0.00311543/step, 0.232792 hours remaining, 233.093750 MB of memory in use. ENERGY: 4731000 4016.1809 20554.2893 14416.3749 238.4639 -203382.2124 2858.6045 0.0000 0.0000 52037.2069 -109261.0919 299.0585 -161298.2988 -108892.7091 298.7088 43.3922 66.9934 764133.8205 -4.7816 -4.7255 PRESSURE: 4731200 405.387 39.1431 -118.356 39.1426 -152.702 -25.9537 -118.357 -25.9532 123.629 GPRESSURE: 4731200 340.857 32.2534 -111.403 70.5991 -58.6816 -86.9251 94.5489 -51.9661 185.341 PRESSAVG: 4731200 48.4403 22.1834 -53.3612 22.1835 -4.06197 4.23527 -53.3612 4.23521 -5.02218 GPRESSAVG: 4731200 48.0117 22.2039 -53.492 22.5728 -3.93754 5.0575 -53.4223 2.64863 -5.51013 TIMING: 4731200 CPU: 14774.1, 0.00311276/step Wall: 14774.1, 0.00311276/step, 0.232419 hours remaining, 233.093750 MB of memory in use. ENERGY: 4731200 4011.8746 20592.5703 14441.6943 256.9933 -203690.0847 2944.6526 0.0000 0.0000 52107.8418 -109334.4578 299.4645 -161442.2996 -108970.0837 299.2111 125.4376 155.8388 762662.0876 13.1187 12.8547 PRESSURE: 4731400 200.638 101.992 124.461 101.992 -70.7039 97.7447 124.461 97.7434 -199.383 GPRESSURE: 4731400 236.723 137.873 42.1747 178.457 -4.42623 126.152 138.503 135.296 -221.058 PRESSAVG: 4731400 -1.81134 -11.1366 -76.7222 -11.1367 4.69057 -21.3968 -76.7223 -21.3967 26.7452 GPRESSAVG: 4731400 -1.21115 -10.8215 -75.8499 -11.091 4.51548 -20.16 -77.3969 -20.2586 26.2449 TIMING: 4731400 CPU: 14774.8, 0.00310173/step Wall: 14774.8, 0.00310173/step, 0.231424 hours remaining, 233.093750 MB of memory in use. ENERGY: 4731400 3943.6828 20535.9787 14431.4702 262.3018 -203204.1662 2604.6526 0.0000 0.0000 51962.5615 -109463.5186 298.6296 -161426.0801 -109104.3783 298.6731 -23.1494 3.7463 763222.5905 9.8748 9.8498 PRESSURE: 4731600 -301.894 95.6772 -172.806 95.677 61.9852 26.858 -172.805 26.8585 -293.89 GPRESSURE: 4731600 -251.011 63.19 -104.17 113.32 43.632 -22.4082 -65.9195 9.8595 -239.182 PRESSAVG: 4731600 0.309858 36.7021 -15.2116 36.7022 2.61123 30.0549 -15.2117 30.0549 -12.1039 GPRESSAVG: 4731600 -0.00516469 36.6752 -14.5096 38.3804 1.94006 29.1411 -14.9889 31.373 -11.5504 TIMING: 4731600 CPU: 14775.4, 0.0031046/step Wall: 14775.4, 0.0031046/step, 0.231465 hours remaining, 233.093750 MB of memory in use. ENERGY: 4731600 4030.9764 20608.1965 14376.6775 243.0778 -202920.4401 2437.0299 0.0000 0.0000 52071.2824 -109153.1997 299.2544 -161224.4820 -108798.0482 299.3603 -177.9329 -148.8535 763495.9165 -3.0609 -3.2052 PRESSURE: 4731800 82.8685 54.1005 -316.226 54.1008 12.2835 -148.622 -316.226 -148.622 -75.9674 GPRESSURE: 4731800 62.0363 -9.83042 -300.767 -7.85935 71.594 -112.37 -285.116 -140.541 -35.2425 PRESSAVG: 4731800 -1.54514 12.047 2.79179 12.0468 5.97662 35.3474 2.7918 35.3474 -11.379 GPRESSAVG: 4731800 -1.34614 11.2933 0.0710975 10.916 7.24648 33.9452 3.69728 35.2423 -12.4822 TIMING: 4731800 CPU: 14776, 0.00311942/step Wall: 14776, 0.00311942/step, 0.232397 hours remaining, 233.093750 MB of memory in use. ENERGY: 4731800 3949.6828 20534.0359 14453.6350 239.0428 -203162.5605 2703.3609 0.0000 0.0000 52001.7059 -109281.0973 298.8545 -161282.8032 -108923.9480 299.0223 6.3949 32.7959 760606.7011 -2.3158 -2.1939 PRESSURE: 4732000 -316.064 -96.313 -22.3184 -96.3136 -126.199 79.1698 -22.3182 79.169 -202.119 GPRESSURE: 4732000 -220.32 -36.9701 -99.3767 -91.4334 -119.054 113.266 -37.8783 -88.864 -218.316 PRESSAVG: 4732000 -5.00802 46.673 23.1406 46.6731 23.0617 15.0385 23.1406 15.0385 23.9668 GPRESSAVG: 4732000 -4.18935 49.1764 23.7121 44.8622 22.052 15.4373 23.2721 15.892 24.1695 TIMING: 4732000 CPU: 14776.6, 0.0031157/step Wall: 14776.6, 0.0031157/step, 0.231946 hours remaining, 233.093750 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: 4732000 3971.5117 20550.1957 14454.6184 247.4324 -202951.4342 2432.9267 0.0000 0.0000 52029.1134 -109265.6358 299.0120 -161294.7492 -108896.9793 298.6868 -214.7942 -185.8969 761966.8578 14.0068 14.0107 PRESSURE: 4732200 59.6145 -29.2802 -193.121 -29.2793 -59.7475 192.426 -193.12 192.425 -25.1152 GPRESSURE: 4732200 109.171 -59.3245 -150.567 97.2327 -87.7402 98.7879 -135.785 147.254 40.8996 PRESSAVG: 4732200 -3.08627 22.4795 -39.5071 22.4795 -7.47023 -9.26755 -39.507 -9.26742 5.97177 GPRESSAVG: 4732200 -2.50357 22.7083 -37.802 23.2633 -8.05 -7.8071 -41.1346 -10.0416 5.7612 TIMING: 4732200 CPU: 14777.3, 0.00313406/step Wall: 14777.3, 0.00313406/step, 0.23314 hours remaining, 233.093750 MB of memory in use. ENERGY: 4732200 4007.0120 20548.4069 14410.8429 239.8628 -202930.1502 2443.0615 0.0000 0.0000 52162.1933 -109118.7707 299.7768 -161280.9641 -108760.5581 298.9458 -8.4160 20.7767 762368.9770 -1.5282 -1.5975 LDB: ============= START OF LOAD BALANCING ============== 14789.7 LDB: ============== END OF LOAD BALANCING =============== 14789.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14789.7 LDB: ============= START OF LOAD BALANCING ============== 14790 LDB: Largest compute 7060 load 0.030930 is 15.8% of average load 0.195345 LDB: Average compute 0.004389 is 2.2% of average load 0.195345 LDB: TIME 14790 LOAD: AVG 0.195345 MAX 0.218573 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.016 MB LDB: TIME 14790 LOAD: AVG 0.195345 MAX 0.218573 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.016 MB LDB: TIME 14790 LOAD: AVG 0.195345 MAX 0.217353 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.016 MB LDB: ============== END OF LOAD BALANCING =============== 14790 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14790.1 PRESSURE: 4732400 -261.88 70.2257 37.1517 70.2258 -63.083 -2.60675 37.152 -2.60708 -202.672 GPRESSURE: 4732400 -228.676 105.693 17.1572 136.404 -50.4737 55.3654 24.3609 64.3816 -161.9 PRESSAVG: 4732400 44.171 8.16259 -46.0448 8.16262 -22.8557 37.9837 -46.0447 37.9837 0.396294 GPRESSAVG: 4732400 42.5464 8.03893 -46.7277 7.11038 -22.1386 37.9266 -45.8424 37.3879 0.585432 TIMING: 4732400 CPU: 14777.9, 0.00318611/step Wall: 14777.9, 0.00318611/step, 0.236834 hours remaining, 235.542969 MB of memory in use. ENERGY: 4732400 3987.6196 20477.4937 14455.4801 241.5620 -202858.2688 2453.6534 0.0000 0.0000 52125.0156 -109117.4444 299.5632 -161242.4600 -108754.2470 299.6331 -175.8784 -147.0165 763320.1039 7.2372 6.9978 PRESSURE: 4732600 43.6696 -21.7125 -262.981 -21.7136 220.204 -139.575 -262.981 -139.577 -86.639 GPRESSURE: 4732600 137.498 61.0242 -243.431 -16.7335 224.797 -182.522 -292.344 -219.854 -96.645 PRESSAVG: 4732600 111.085 11.7174 -40.9171 11.7174 -109.558 9.35605 -40.9171 9.3561 20.3795 GPRESSAVG: 4732600 111.711 11.8985 -40.396 14.2863 -108.653 9.16435 -39.6614 10.1426 19.1953 TIMING: 4732600 CPU: 14778.5, 0.00311304/step Wall: 14778.5, 0.00311304/step, 0.231229 hours remaining, 235.816406 MB of memory in use. ENERGY: 4732600 3990.5366 20406.4148 14412.2705 225.5783 -203691.9665 2886.7891 0.0000 0.0000 52314.7810 -109455.5962 300.6538 -161770.3772 -109087.2043 299.5511 59.0783 88.5499 761915.9166 7.3022 7.4176 PRESSURE: 4732800 265.198 -17.9529 -44.0377 -17.952 -72.8417 267.905 -44.0374 267.905 62.7875 GPRESSURE: 4732800 247.84 174.783 55.1619 23.4607 -59.7112 318.171 -93.4538 261.314 128.781 PRESSAVG: 4732800 29.7296 97.0695 -33.3174 97.0695 -105.836 -27.3513 -33.3174 -27.3513 12.8517 GPRESSAVG: 4732800 29.572 98.4172 -32.8358 95.2198 -106.1 -28.3948 -34.5083 -27.2849 13.7357 TIMING: 4732800 CPU: 14779.1, 0.00312123/step Wall: 14779.1, 0.00312123/step, 0.231664 hours remaining, 235.816406 MB of memory in use. ENERGY: 4732800 3975.1962 20589.8218 14415.0058 259.7595 -203609.9503 2612.1004 0.0000 0.0000 52060.9580 -109697.1086 299.1950 -161758.0666 -109325.2757 298.5845 85.0481 105.6366 762415.9901 -21.0850 -20.9308 PRESSURE: 4733000 -11.7812 -39.4578 -17.8547 -39.4584 66.2171 4.2251 -17.8549 4.2233 470.816 GPRESSURE: 4733000 -23.2392 135.903 48.3553 -51.2469 141.288 -85.6135 -174.627 10.0725 480.8 PRESSAVG: 4733000 -8.09671 52.9725 27.0673 52.9725 14.9693 -8.54074 27.0673 -8.54074 -11.2749 GPRESSAVG: 4733000 -8.8915 51.9384 26.8108 51.8006 14.9308 -8.38775 28.7206 -9.55566 -11.0087 TIMING: 4733000 CPU: 14779.8, 0.00312535/step Wall: 14779.8, 0.00312535/step, 0.231796 hours remaining, 235.816406 MB of memory in use. ENERGY: 4733000 3965.7911 20583.3942 14321.1571 245.1017 -203462.6810 2816.0747 0.0000 0.0000 51836.0126 -109695.1496 297.9023 -161531.1622 -109335.4277 298.3988 175.0840 199.6163 761862.6343 -1.4674 -1.6565 PRESSURE: 4733200 253.006 313.675 110.861 313.676 198.739 130.94 110.862 130.94 309.036 GPRESSURE: 4733200 339.575 225.738 103.322 290.631 206.732 52.1951 -30.6417 181.652 307.828 PRESSAVG: 4733200 -24.6671 49.5645 -13.5204 49.5645 4.83198 29.3102 -13.5204 29.3102 -9.70693 GPRESSAVG: 4733200 -24.0145 48.3865 -14.8501 50.091 4.90734 29.8523 -14.4099 28.9735 -11.0427 TIMING: 4733200 CPU: 14780.4, 0.0031152/step Wall: 14780.4, 0.0031152/step, 0.230871 hours remaining, 236.019531 MB of memory in use. ENERGY: 4733200 3927.1332 20325.9951 14475.4916 226.7686 -203573.3331 2911.0962 0.0000 0.0000 52046.4265 -109660.4219 299.1115 -161706.8484 -109290.5740 297.9343 253.5935 284.7116 761154.0993 -9.8474 -10.0500 PRESSURE: 4733400 203.955 123.106 8.1215 123.106 -267.901 92.8502 8.12017 92.8504 -274.211 GPRESSURE: 4733400 122.445 28.7935 -14.3695 138.444 -178.054 108.337 72.7053 -4.54162 -198.295 PRESSAVG: 4733400 40.3779 124.978 -6.23158 124.978 -37.9575 33.511 -6.23157 33.5111 18.7175 GPRESSAVG: 4733400 39.4953 123.465 -6.05941 124.581 -37.5485 34.2782 -8.09724 31.3283 19.2346 TIMING: 4733400 CPU: 14781, 0.00312892/step Wall: 14781, 0.00312892/step, 0.231714 hours remaining, 236.019531 MB of memory in use. ENERGY: 4733400 3954.1516 20535.4631 14407.9143 263.8186 -203260.5535 2326.7767 0.0000 0.0000 52124.6129 -109647.8163 299.5609 -161772.4292 -109282.3918 298.3069 -112.7188 -84.6345 761700.5660 7.0460 7.0605 PRESSURE: 4733600 -173.133 32.961 -133.885 32.9618 43.9162 -55.2262 -133.884 -55.2265 418.822 GPRESSURE: 4733600 -80.1451 59.8098 -123.648 33.7057 -26.6504 -2.57762 -85.0276 -59.1383 479.16 PRESSAVG: 4733600 47.8957 34.315 -75.3743 34.315 18.6922 9.3263 -75.3743 9.32628 -1.39233 GPRESSAVG: 4733600 47.6718 34.6343 -74.0728 35.8726 18.5798 7.8426 -74.1464 10.5888 -0.944627 TIMING: 4733600 CPU: 14781.6, 0.00315665/step Wall: 14781.6, 0.00315665/step, 0.233592 hours remaining, 236.019531 MB of memory in use. ENERGY: 4733600 4047.7084 20475.6905 14401.4031 259.9631 -203505.5579 2715.8961 0.0000 0.0000 52289.9578 -109314.9389 300.5111 -161604.8967 -108936.5981 299.1470 96.5351 124.1215 761428.0051 21.7318 21.7690 PRESSURE: 4733800 -172.844 62.1625 -35.5371 62.1619 -79.7453 -221.829 -35.5372 -221.83 51.1399 GPRESSURE: 4733800 -158.051 14.247 -5.78314 42.0946 -16.4903 -240.054 -111.847 -55.9372 64.5616 PRESSAVG: 4733800 -47.4797 21.2007 -58.983 21.2007 71.9481 -30.2879 -58.983 -30.2879 6.10003 GPRESSAVG: 4733800 -46.1395 24.0831 -59.6813 20.057 70.3775 -29.3059 -57.8377 -28.5075 6.00974 TIMING: 4733800 CPU: 14782.3, 0.00314957/step Wall: 14782.3, 0.00314957/step, 0.232894 hours remaining, 236.019531 MB of memory in use. ENERGY: 4733800 3950.7749 20533.8554 14495.0199 270.0331 -202784.5712 2269.2610 0.0000 0.0000 51842.5051 -109423.1218 297.9396 -161265.6269 -109058.9388 299.0296 -67.1497 -36.6598 761586.9011 10.1895 10.0826 PRESSURE: 4734000 -58.256 107.057 6.60808 107.058 -130.944 -36.9441 6.60812 -36.9442 -40.3187 GPRESSURE: 4734000 -73.0272 57.4568 131.222 -22.459 -55.493 -92.146 -19.1377 32.1454 -28.2372 PRESSAVG: 4734000 23.9801 26.2358 -60.7534 26.2357 -45.149 -23.9037 -60.7534 -23.9037 12.1533 GPRESSAVG: 4734000 22.2576 25.235 -59.3464 25.7294 -43.6573 -24.8084 -61.7169 -22.2025 12.1347 TIMING: 4734000 CPU: 14782.9, 0.00313049/step Wall: 14782.9, 0.00313049/step, 0.231309 hours remaining, 236.019531 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: 4734000 3991.8883 20668.4876 14454.1672 267.6872 -202715.8373 2206.4486 0.0000 0.0000 51713.4770 -109413.6814 297.1981 -161127.1585 -109057.3850 298.9280 -76.5062 -52.2525 760615.7551 -3.0052 -3.0883 PRESSURE: 4734200 -28.4424 -46.3416 140 -46.3412 479.195 -58.6734 140.001 -58.6725 -100.168 GPRESSURE: 4734200 106.814 48.0685 92.3418 -14.92 349.196 -7.78715 78.9313 -152.164 -5.93573 PRESSAVG: 4734200 4.76341 37.2909 51.2465 37.2909 24.0653 32.5313 51.2465 32.5313 -0.840834 GPRESSAVG: 4734200 5.21705 36.5368 50.459 38.7233 21.9878 33.6711 51.6076 31.7396 0.0188532 TIMING: 4734200 CPU: 14783.5, 0.00313368/step Wall: 14783.5, 0.00313368/step, 0.23137 hours remaining, 236.019531 MB of memory in use. ENERGY: 4734200 3967.1837 20494.9462 14455.3565 250.8827 -202972.4255 2528.3122 0.0000 0.0000 52086.8817 -109188.8626 299.3440 -161275.7443 -108823.7115 298.8290 116.8615 150.0247 761863.3974 9.3293 9.0746 PRESSURE: 4734400 -7.20009 -52.7733 -279.224 -52.7737 -145.206 65.3534 -279.223 65.3524 38.6694 GPRESSURE: 4734400 73.5792 -3.00964 -195.495 -59.1329 -180.596 48.8653 -168.776 -5.54729 87.5884 PRESSAVG: 4734400 -2.59132 20.8954 38.8602 20.8954 4.81963 14.7806 38.8602 14.7806 20.4539 GPRESSAVG: 4734400 -2.35905 19.4734 39.6517 20.1166 4.98594 13.0691 36.6744 14.3712 19.85 TIMING: 4734400 CPU: 14784.2, 0.00314403/step Wall: 14784.2, 0.00314403/step, 0.23196 hours remaining, 236.019531 MB of memory in use. ENERGY: 4734400 4032.1752 20353.6312 14453.7647 225.1412 -203269.6189 2803.6914 0.0000 0.0000 52238.2760 -109162.9394 300.2141 -161401.2154 -108787.2080 299.0583 -37.9122 -6.4761 762769.5361 7.5608 7.4923 PRESSURE: 4734600 159.473 -38.6506 52.6647 -38.6513 446.458 258.195 52.6657 258.197 104.034 GPRESSURE: 4734600 177.945 -78.0749 165.785 -54.4984 445.15 211.229 -11.2163 329.125 157.023 PRESSAVG: 4734600 50.0497 15.5815 -3.31857 15.5815 -18.6832 4.38398 -3.31859 4.38397 13.4983 GPRESSAVG: 4734600 48.5657 17.3398 -3.12473 16.0636 -17.6777 5.03992 -1.35397 5.52086 13.8296 TIMING: 4734600 CPU: 14784.8, 0.00313632/step Wall: 14784.8, 0.00313632/step, 0.231217 hours remaining, 236.222656 MB of memory in use. ENERGY: 4734600 3963.8310 20394.4973 14454.8661 247.7439 -203175.3502 2706.9552 0.0000 0.0000 52303.7530 -109103.7037 300.5904 -161407.4567 -108740.8007 299.3006 236.6552 260.0393 762636.8790 14.9550 14.9059 PRESSURE: 4734800 296.225 -52.0497 183.382 -52.0502 -197.362 -452.382 183.382 -452.383 136.386 GPRESSURE: 4734800 361.168 52.0143 128.287 -2.59134 -171.793 -439.183 11.6921 -398.229 128.086 PRESSAVG: 4734800 9.88279 52.8265 -32.0023 52.8265 -43.1598 55.9593 -32.0023 55.9593 6.57966 GPRESSAVG: 4734800 11.3798 54.0807 -32.8271 50.6865 -43.6511 55.9521 -32.1406 55.6333 5.91031 TIMING: 4734800 CPU: 14785.4, 0.0031159/step Wall: 14785.4, 0.0031159/step, 0.229538 hours remaining, 236.222656 MB of memory in use. ENERGY: 4734800 3986.2183 20361.2045 14542.2088 245.4202 -203463.2198 2853.8513 0.0000 0.0000 52369.6935 -109104.6231 300.9693 -161474.3166 -108748.7779 299.3375 78.4162 105.8207 760966.1416 -8.8991 -8.7870 PRESSURE: 4735000 -37.2116 123.632 -0.87675 123.633 -174.072 161.138 -0.877285 161.137 -31.191 GPRESSURE: 4735000 15.9952 10.7256 35.768 154.166 -201.555 174.442 -61.2222 156.771 8.94884 PRESSAVG: 4735000 -42.565 -40.1302 -51.1904 -40.1303 36.1207 -7.44667 -51.1905 -7.44668 2.975 GPRESSAVG: 4735000 -43.2015 -39.1486 -51.4735 -37.3741 36.4874 -8.67037 -53.1073 -6.23892 2.43397 TIMING: 4735000 CPU: 14786, 0.00311341/step Wall: 14786, 0.00311341/step, 0.229181 hours remaining, 236.222656 MB of memory in use. ENERGY: 4735000 3957.5465 20359.3363 14481.6034 248.7316 -203213.0514 2684.4258 0.0000 0.0000 52171.8446 -109309.5634 299.8323 -161481.4079 -108948.8571 299.2346 -80.8248 -58.8703 762605.9055 -1.1564 -1.4267 PRESSURE: 4735200 -74.0688 -66.7806 -145.328 -66.781 -282.604 -2.8929 -145.329 -2.89338 50.6091 GPRESSURE: 4735200 -108.882 -88.6147 -110.502 -29.5482 -179.729 -25.1176 -188.422 148.322 76.7413 PRESSAVG: 4735200 35.7346 -1.79222 -20.1781 -1.79219 14.367 -20.1616 -20.1781 -20.1615 -11.229 GPRESSAVG: 4735200 35.3236 -3.67325 -19.2255 -2.19953 15.116 -17.7608 -19.9282 -23.0501 -11.278 TIMING: 4735200 CPU: 14786.6, 0.00312629/step Wall: 14786.6, 0.00312629/step, 0.229956 hours remaining, 236.222656 MB of memory in use. ENERGY: 4735200 4009.9980 20590.9858 14519.0870 241.4058 -203060.1087 2541.1086 0.0000 0.0000 52003.6455 -109153.8781 298.8657 -161157.5236 -108793.4463 299.7726 -102.0213 -70.6233 762511.5603 12.9575 13.0538 PRESSURE: 4735400 -162.233 129.67 -135.62 129.67 -338.194 206.615 -135.619 206.615 -300.1 GPRESSURE: 4735400 -136.659 156.316 -220.924 69.6287 -233.329 120.834 -8.34997 -69.7853 -333.077 PRESSAVG: 4735400 31.7313 -20.6093 -11.1628 -20.6093 -7.96529 -1.49738 -11.1629 -1.49741 -4.1558 GPRESSAVG: 4735400 31.9085 -19.6183 -11.3975 -22.6393 -8.92699 -2.7403 -11.926 -1.53669 -3.10995 TIMING: 4735400 CPU: 14787.3, 0.00313892/step Wall: 14787.3, 0.00313892/step, 0.230711 hours remaining, 236.222656 MB of memory in use. ENERGY: 4735400 3918.0788 20513.7777 14469.7358 252.8040 -203127.2100 2380.4298 0.0000 0.0000 52317.0355 -109275.3484 300.6667 -161592.3839 -108908.6218 299.4695 -266.8425 -234.3548 761959.1502 6.5367 6.6238 PRESSURE: 4735600 -475.994 -237.825 -62.3704 -237.825 -302.674 -176.105 -62.3708 -176.104 -212.201 GPRESSURE: 4735600 -389.96 -185.07 -82.6317 -206.896 -296.404 -144.091 -102.793 -235.28 -229.116 PRESSAVG: 4735600 2.71297 -44.3158 12.2206 -44.3158 0.176458 -20.0803 12.2206 -20.0803 -16.595 GPRESSAVG: 4735600 2.19802 -46.9104 12.2491 -42.482 0.0928765 -19.1375 13.9968 -19.8642 -15.9897 TIMING: 4735600 CPU: 14787.9, 0.00313084/step Wall: 14787.9, 0.00313084/step, 0.229943 hours remaining, 236.222656 MB of memory in use. ENERGY: 4735600 3952.2605 20629.0603 14423.5145 231.1517 -202459.0300 2077.0076 0.0000 0.0000 52094.5124 -109051.5229 299.3879 -161146.0353 -108691.1834 299.4377 -330.2896 -305.1600 761696.2806 -4.5685 -4.5663 PRESSURE: 4735800 -393.939 -284.986 126.214 -284.984 131.094 -161.021 126.214 -161.021 177.738 GPRESSURE: 4735800 -318.966 -279.537 83.0327 -208.329 220.04 -65.5244 146.63 -32.6543 101.384 PRESSAVG: 4735800 -1.51285 -50.014 -34.8842 -50.014 14.2152 -13.7722 -34.8842 -13.7722 6.93037 GPRESSAVG: 4735800 -1.57634 -51.4464 -34.4627 -48.2579 14.9679 -12.9548 -37.7807 -12.8681 5.95446 TIMING: 4735800 CPU: 14788.5, 0.00311601/step Wall: 14788.5, 0.00311601/step, 0.22868 hours remaining, 236.222656 MB of memory in use. ENERGY: 4735800 3932.8691 20606.7162 14381.2770 259.4710 -202672.0198 2376.5220 0.0000 0.0000 52033.1913 -109081.9732 299.0355 -161115.1644 -108728.3421 299.4577 -28.3689 0.8194 763112.1031 6.5442 6.4487 PRESSURE: 4736000 265.881 -123.299 -94.4511 -123.298 -90.7197 -20.1732 -94.4509 -20.1741 324 GPRESSURE: 4736000 323.148 -136.293 -83.3472 -59.2296 -39.5995 0.676493 -107.915 54.7055 297.487 PRESSAVG: 4736000 6.07756 17.1046 22.7402 17.1046 -4.88634 34.4068 22.7402 34.4067 -9.92844 GPRESSAVG: 4736000 7.08225 19.8101 21.9901 16.6313 -5.89375 34.0055 25.2872 34.6565 -9.3917 TIMING: 4736000 CPU: 14789.2, 0.00313112/step Wall: 14789.2, 0.00313112/step, 0.229616 hours remaining, 236.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4736000 3893.3784 20560.4803 14480.2018 243.9032 -203253.2305 2564.0941 0.0000 0.0000 52282.9900 -109228.1827 300.4711 -161511.1727 -108864.6660 299.2295 166.3871 193.6785 761986.6957 -2.9124 -2.7344 PRESSURE: 4736200 -359.239 156.875 -110.006 156.875 -558.343 218.845 -110.006 218.845 -117.245 GPRESSURE: 4736200 -336.215 70.1937 -84.7715 21.1492 -473.185 265.299 -14.503 79.1953 -126.086 PRESSAVG: 4736200 -14.4949 36.341 51.8521 36.341 -25.0209 -18.556 51.8521 -18.556 -3.77509 GPRESSAVG: 4736200 -14.235 34.1736 52.9809 35.978 -24.5491 -19.3551 51.0959 -17.7586 -4.1634 TIMING: 4736200 CPU: 14789.8, 0.00313498/step Wall: 14789.8, 0.00313498/step, 0.229725 hours remaining, 236.222656 MB of memory in use. ENERGY: 4736200 4045.7554 20510.3814 14411.4544 256.2615 -203022.6891 2627.2143 0.0000 0.0000 52126.3502 -109045.2720 299.5709 -161171.6222 -108672.8219 299.0788 -344.9426 -311.8286 763042.9354 -14.4303 -14.3158 LDB: ============= START OF LOAD BALANCING ============== 14802.3 LDB: ============== END OF LOAD BALANCING =============== 14802.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14802.3 LDB: ============= START OF LOAD BALANCING ============== 14802.6 LDB: Largest compute 7032 load 0.031728 is 16.2% of average load 0.195285 LDB: Average compute 0.004407 is 2.3% of average load 0.195285 LDB: TIME 14802.6 LOAD: AVG 0.195285 MAX 0.217269 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.234 MB LDB: TIME 14802.6 LOAD: AVG 0.195285 MAX 0.217269 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.379 MB LDB: TIME 14802.6 LOAD: AVG 0.195285 MAX 0.217269 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.379 MB LDB: ============== END OF LOAD BALANCING =============== 14802.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14802.6 PRESSURE: 4736400 -154.462 30.7674 -239.332 30.7666 -72.8982 -53.3593 -239.333 -53.3587 207.129 GPRESSURE: 4736400 -68.9698 34.4591 -257.192 -26.1911 -23.2671 21.636 -226.147 -114.754 170.027 PRESSAVG: 4736400 53.0552 36.7168 12.6814 36.7168 -19.0926 20.4591 12.6814 20.4591 15.8879 GPRESSAVG: 4736400 52.4287 37.6621 11.1072 36.6722 -18.9073 19.7024 13.3879 20.6563 15.1301 TIMING: 4736400 CPU: 14790.4, 0.00318843/step Wall: 14790.4, 0.00318843/step, 0.233464 hours remaining, 235.031250 MB of memory in use. ENERGY: 4736400 3999.7651 20513.1565 14512.7013 248.5497 -202638.8534 2321.9705 0.0000 0.0000 52056.1326 -108986.5778 299.1673 -161042.7104 -108619.1986 299.5855 -6.7438 25.9299 761854.7651 16.6168 16.2172 PRESSURE: 4736600 -327.661 176.873 -31.2666 176.873 47.9371 -117.558 -31.2677 -117.558 -336.726 GPRESSURE: 4736600 -229.08 149.578 -67.7616 162.948 58.308 -72.0362 -4.8688 -229.77 -353.808 PRESSAVG: 4736600 17.051 0.643294 16.4826 0.643342 26.4992 2.39457 16.4826 2.39444 9.76224 GPRESSAVG: 4736600 17.9244 2.29273 16.8518 -1.1233 24.7495 2.93345 15.9809 -0.0460684 10.3971 TIMING: 4736600 CPU: 14791, 0.00313379/step Wall: 14791, 0.00313379/step, 0.229289 hours remaining, 235.031250 MB of memory in use. ENERGY: 4736600 4062.8638 20602.7582 14441.6801 252.2599 -202937.8145 2649.3796 0.0000 0.0000 52040.0289 -108888.8440 299.0748 -160928.8729 -108535.8986 299.6239 -205.4834 -174.8598 762104.5534 17.7708 17.6903 PRESSURE: 4736800 265.102 -3.88666 54.3423 -3.88705 252.466 24.9776 54.3424 24.9778 202.427 GPRESSURE: 4736800 293.237 90.8738 54.2507 57.6623 271.573 35.7901 30.5891 1.11311 222.558 PRESSAVG: 4736800 -26.8482 30.7511 -6.77778 30.7512 19.094 -10.0242 -6.77781 -10.0243 14.2744 GPRESSAVG: 4736800 -26.735 31.5211 -7.8448 32.7163 19.9709 -10.8114 -5.75014 -7.99205 13.9909 TIMING: 4736800 CPU: 14791.7, 0.00311801/step Wall: 14791.7, 0.00311801/step, 0.227961 hours remaining, 235.101562 MB of memory in use. ENERGY: 4736800 3963.7515 20367.2235 14461.4597 259.5486 -203156.6167 2702.5460 0.0000 0.0000 52356.4253 -109045.6621 300.8931 -161402.0874 -108679.8023 299.5695 239.9981 262.4561 762705.6142 2.1734 2.4090 PRESSURE: 4737000 -349.293 20.2885 -243.61 20.288 226.988 -115.525 -243.609 -115.525 117.214 GPRESSURE: 4737000 -261.124 21.3571 -190.813 57.3236 181.88 -22.846 -247.608 -163.89 150.75 PRESSAVG: 4737000 -8.44165 17.1586 19.5268 17.1586 2.94855 17.0457 19.5268 17.0457 6.44249 GPRESSAVG: 4737000 -10.344 16.9386 21.5389 17.3367 4.92606 19.585 17.8 15.8677 6.64759 TIMING: 4737000 CPU: 14792.3, 0.00310992/step Wall: 14792.3, 0.00310992/step, 0.227197 hours remaining, 235.101562 MB of memory in use. ENERGY: 4737000 3926.1705 20449.9141 14510.0861 261.1734 -202795.9757 2706.0272 0.0000 0.0000 51995.8031 -108946.8013 298.8206 -160942.6043 -108579.9771 299.3946 -1.6971 23.8355 764093.4791 0.3165 0.4099 PRESSURE: 4737200 -197.707 -124.172 195.668 -124.173 -178.974 -36.1675 195.668 -36.1676 -108.266 GPRESSURE: 4737200 -193.533 -181.679 242.792 -88.4107 -39.573 22.6545 70.0271 -122.734 -172.451 PRESSAVG: 4737200 8.24304 -6.63128 -7.9237 -6.63123 14.0906 1.39435 -7.9237 1.39436 10.0257 GPRESSAVG: 4737200 8.92394 -8.20095 -6.5502 -5.63919 14.0019 -0.828576 -8.66704 1.25565 10.0399 TIMING: 4737200 CPU: 14792.9, 0.0031175/step Wall: 14792.9, 0.00311751/step, 0.227578 hours remaining, 235.101562 MB of memory in use. ENERGY: 4737200 3968.4708 20604.9175 14491.9790 260.9065 -203176.4801 2691.2453 0.0000 0.0000 52369.0079 -108789.9530 300.9654 -161158.9609 -108429.3897 300.1926 -161.6488 -135.1858 763853.7227 10.7864 10.9886 PRESSURE: 4737400 -120.544 -82.0903 39.3145 -82.0894 176.034 -41.2617 39.3149 -41.2622 -66.5391 GPRESSURE: 4737400 -123.048 -86.0426 60.9433 -15.7057 182.544 44.0948 -16.1653 -55.99 38.9885 PRESSAVG: 4737400 13.6322 -45.7378 -3.41865 -45.7378 5.42713 36.197 -3.41867 36.197 -22.2049 GPRESSAVG: 4737400 13.2913 -45.7272 -5.6923 -46.7446 4.93028 34.6449 -2.30533 37.5333 -21.6993 TIMING: 4737400 CPU: 14793.5, 0.00312363/step Wall: 14793.5, 0.00312363/step, 0.227851 hours remaining, 235.101562 MB of memory in use. ENERGY: 4737400 4090.0481 20393.2082 14481.8685 254.0081 -203235.8941 2811.7129 0.0000 0.0000 52257.3702 -108947.6782 300.3238 -161205.0484 -108582.4963 300.3802 -3.6829 32.8282 762981.9140 -1.0485 -1.1592 PRESSURE: 4737600 111.953 35.0562 -83.1969 35.0567 -313.803 -2.10661 -83.1972 -2.10515 -290.591 GPRESSURE: 4737600 192.093 -56.514 0.804841 18.205 -233.653 -9.8077 -176.749 -17.0573 -370.334 PRESSAVG: 4737600 -3.51743 -25.4583 -21.3635 -25.4583 7.783 -24.4194 -21.3635 -24.4194 -27.3499 GPRESSAVG: 4737600 -4.17867 -24.6137 -20.7429 -27.6165 8.81645 -21.0074 -21.8963 -25.9601 -27.7248 TIMING: 4737600 CPU: 14794.2, 0.00311162/step Wall: 14794.2, 0.00311162/step, 0.226803 hours remaining, 235.101562 MB of memory in use. ENERGY: 4737600 4031.8153 20609.3917 14495.7585 247.1077 -203250.0080 2765.0481 0.0000 0.0000 52049.9566 -109050.9302 299.1318 -161100.8868 -108695.1979 299.8077 -164.1471 -137.2978 764833.5158 -7.6948 -7.6957 PRESSURE: 4737800 -86.5705 2.6796 34.8901 2.67971 32.3318 -217.97 34.8902 -217.97 -24.8622 GPRESSURE: 4737800 -18.6225 5.08316 108.215 26.4496 7.65951 -283.693 120.578 -259.709 -2.90198 PRESSAVG: 4737800 -38.4434 20.4192 -32.1857 20.4191 18.2617 -7.33057 -32.1856 -7.33052 15.8102 GPRESSAVG: 4737800 -37.1156 17.6018 -32.4244 22.6333 17.6104 -9.4954 -34.2329 -6.68284 15.6031 TIMING: 4737800 CPU: 14794.8, 0.00310818/step Wall: 14794.8, 0.00310818/step, 0.226379 hours remaining, 235.101562 MB of memory in use. ENERGY: 4737800 4019.7835 20561.4059 14467.6776 237.7323 -203281.5182 2859.7194 0.0000 0.0000 52269.6337 -108865.5659 300.3943 -161135.1996 -108501.3730 299.6493 -26.3670 -4.6216 762691.7162 -1.4572 -1.3007 PRESSURE: 4738000 -207.722 66.8783 -123.173 66.8793 -65.0451 -177.754 -123.172 -177.754 80.7663 GPRESSURE: 4738000 -69.3728 39.0188 -10.1317 8.38553 -45.6322 -105.54 -212.672 -227.646 -8.00248 PRESSAVG: 4738000 14.2434 -17.4105 -21.6311 -17.4105 -1.42632 11.0808 -21.6311 11.0808 10.3552 GPRESSAVG: 4738000 13.2981 -16.1452 -21.556 -19.2771 -1.7679 12.2821 -18.3682 11.5501 11.4848 TIMING: 4738000 CPU: 14795.4, 0.00311074/step Wall: 14795.4, 0.00311074/step, 0.226393 hours remaining, 235.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4738000 3943.4399 20544.9111 14465.2187 268.5427 -203188.7016 2727.5732 0.0000 0.0000 52119.2337 -109119.7824 299.5300 -161239.0161 -108761.0245 299.2796 -64.0002 -41.0025 762742.5737 7.7241 7.6717 PRESSURE: 4738200 -94.3052 -137.063 84.2622 -137.063 -219.945 -118.109 84.2619 -118.109 -168.606 GPRESSURE: 4738200 18.9138 -53.3851 152.904 -256.401 -268.216 -89.9707 14.3585 64.9465 -163.9 PRESSAVG: 4738200 6.90758 5.51481 1.43025 5.51483 9.71071 -16.3581 1.43023 -16.3581 -2.97321 GPRESSAVG: 4738200 6.06868 7.45779 2.18091 6.99066 9.89451 -17.4734 -0.5507 -16.8615 -2.59594 TIMING: 4738200 CPU: 14796, 0.00311235/step Wall: 14796, 0.00311235/step, 0.226337 hours remaining, 235.101562 MB of memory in use. ENERGY: 4738200 3934.3110 20623.5644 14469.9592 255.1408 -202637.6085 2361.6345 0.0000 0.0000 51972.2241 -109020.7744 298.6851 -160992.9986 -108660.6757 299.0924 -160.9518 -137.7339 764437.1765 4.5484 4.4557 PRESSURE: 4738400 -167.539 117.957 68.939 117.957 50.279 124.02 68.9394 124.02 330.304 GPRESSURE: 4738400 -69.0529 67.5103 51.3361 4.23843 98.8618 100.053 25.1236 124.535 265.788 PRESSAVG: 4738400 -17.7407 -24.568 67.2828 -24.5681 9.59844 4.63565 67.2828 4.63555 -15.1668 GPRESSAVG: 4738400 -16.8299 -23.752 65.9693 -26.3938 9.88128 4.35855 68.7508 7.04628 -16.3006 TIMING: 4738400 CPU: 14796.7, 0.00312547/step Wall: 14796.7, 0.00312547/step, 0.227117 hours remaining, 235.101562 MB of memory in use. ENERGY: 4738400 3920.4578 20441.1063 14429.9632 241.8170 -202836.6372 2502.5349 0.0000 0.0000 52076.0043 -109224.7537 299.2815 -161300.7580 -108873.9538 299.0312 71.0149 98.5323 764286.5427 -7.7697 -7.7498 PRESSURE: 4738600 135.643 168.354 127.462 168.354 -121.735 94.9972 127.463 94.9981 213.763 GPRESSURE: 4738600 203.806 186.043 141.047 136.658 -55.8993 157.773 181.212 26.1114 182.743 PRESSAVG: 4738600 22.8953 6.1634 28.3549 6.16334 -31.2638 10.2769 28.3549 10.2769 12.1656 GPRESSAVG: 4738600 22.3026 5.6954 29.005 6.94337 -31.1217 11.9453 28.6825 7.67823 12.5041 TIMING: 4738600 CPU: 14797.3, 0.0031096/step Wall: 14797.3, 0.0031096/step, 0.225792 hours remaining, 235.304688 MB of memory in use. ENERGY: 4738600 3986.4682 20476.1532 14483.3861 259.7078 -203026.9292 2657.4297 0.0000 0.0000 51951.6012 -109212.1831 298.5666 -161163.7843 -108855.7434 299.0078 75.8903 110.2163 763985.9025 1.2657 1.2283 PRESSURE: 4738800 147.365 55.1643 -4.52375 55.1643 173.249 52.5223 -4.52376 52.5224 -268.756 GPRESSURE: 4738800 295.131 75.8949 75.6607 -56.377 149.386 15.6682 -111.067 115.432 -312.77 PRESSAVG: 4738800 24.3889 -10.1679 6.75815 -10.1679 -31.2005 -6.4089 6.7582 -6.40894 5.28774 GPRESSAVG: 4738800 25.6821 -10.0918 7.13536 -10.0646 -32.0078 -7.82916 6.25614 -4.36854 4.97132 TIMING: 4738800 CPU: 14797.9, 0.00312233/step Wall: 14797.9, 0.00312233/step, 0.226542 hours remaining, 235.492188 MB of memory in use. ENERGY: 4738800 3947.5848 20321.1091 14417.4394 237.2719 -203342.3808 2728.3426 0.0000 0.0000 52133.0511 -109557.5819 299.6094 -161690.6330 -109199.2667 299.2372 17.2862 43.9157 764007.2373 -0.5080 -0.4515 PRESSURE: 4739000 -26.3698 34.1427 -109.546 34.1424 -176.895 -47.4505 -109.547 -47.4503 -104.206 GPRESSURE: 4739000 35.5838 154.135 -33.5102 72.4892 -129.644 20.6079 6.35721 -70.659 -140.106 PRESSAVG: 4739000 31.7072 17.7357 -27.0958 17.7357 -37.6355 2.27584 -27.0959 2.27579 15.7479 GPRESSAVG: 4739000 30.0445 18.5523 -27.9325 16.5894 -37.0847 3.78077 -28.3314 0.805824 17.2901 TIMING: 4739000 CPU: 14798.5, 0.00312342/step Wall: 14798.5, 0.00312342/step, 0.226448 hours remaining, 235.492188 MB of memory in use. ENERGY: 4739000 3978.0200 20392.2595 14447.5186 274.5485 -203271.8327 2817.5560 0.0000 0.0000 52113.6284 -109248.3017 299.4977 -161361.9301 -108883.4520 298.8040 -102.4901 -78.0555 764477.0176 3.2732 3.4166 PRESSURE: 4739200 -278.198 -6.89448 -113.699 -6.89444 -109.831 103.32 -113.698 103.319 -259.36 GPRESSURE: 4739200 -267.842 -78.4447 -176.951 -94.3158 -53.7437 126.977 -38.2309 32.4554 -252.872 PRESSAVG: 4739200 12.5947 41.4976 39.3234 41.4977 14.5273 30.3296 39.3234 30.3296 4.00733 GPRESSAVG: 4739200 13.7023 38.8368 37.2674 42.5643 13.6252 29.5991 40.8047 29.7383 3.32876 TIMING: 4739200 CPU: 14799.2, 0.00313913/step Wall: 14799.2, 0.00313913/step, 0.227413 hours remaining, 235.492188 MB of memory in use. ENERGY: 4739200 3969.1745 20478.4942 14418.9190 260.1931 -202543.4718 2343.5219 0.0000 0.0000 51766.1431 -109307.0261 297.5007 -161073.1692 -108945.3214 298.7093 -215.7961 -191.4859 764754.4265 10.3764 10.2188 PRESSURE: 4739400 172.788 205.342 145.783 205.342 189.255 42.3032 145.784 42.3022 -373.395 GPRESSURE: 4739400 254.404 188.324 153.605 40.2492 120.045 12.7512 -1.60623 -7.54125 -306.191 PRESSAVG: 4739400 19.8177 -7.1307 8.22563 -7.13062 -15.6954 30.507 8.22564 30.507 -10.0135 GPRESSAVG: 4739400 18.9493 -6.6114 9.73422 -7.27537 -14.4771 29.2542 7.96601 29.7816 -10.1215 TIMING: 4739400 CPU: 14799.8, 0.00312519/step Wall: 14799.8, 0.00312519/step, 0.226229 hours remaining, 235.492188 MB of memory in use. ENERGY: 4739400 4066.8208 20606.9962 14471.8596 267.4082 -203168.7255 2791.8675 0.0000 0.0000 51857.0372 -109106.7359 298.0231 -160963.7731 -108745.4124 298.7865 -3.7839 22.7527 763558.7561 -1.9637 -1.8831 PRESSURE: 4739600 -101.641 -47.3776 408.641 -47.377 -141.886 58.2266 408.64 58.2266 129.789 GPRESSURE: 4739600 -37.3186 9.7463 318.897 15.9631 -44.9133 109.509 333.763 30.6517 52.62 PRESSAVG: 4739600 14.3545 38.2979 32.4361 38.2979 35.2921 -53.8424 32.436 -53.8424 -9.3306 GPRESSAVG: 4739600 15.6822 37.9831 33.7571 40.3582 33.6477 -51.6993 31.5894 -54.4569 -8.64624 TIMING: 4739600 CPU: 14800.4, 0.00310599/step Wall: 14800.4, 0.00310599/step, 0.224666 hours remaining, 235.503906 MB of memory in use. ENERGY: 4739600 4026.6181 20613.8335 14388.4649 252.1229 -203005.6499 2695.3607 0.0000 0.0000 51916.7400 -109112.5098 298.3662 -161029.2498 -108749.6102 299.2626 -37.9126 -9.8706 763671.0927 13.4387 13.5612 PRESSURE: 4739800 -34.9076 27.4323 -217.186 27.4325 -229.14 20.2073 -217.186 20.2066 63.1422 GPRESSURE: 4739800 -100.004 42.1916 -94.346 -10.6026 -138.354 -1.65592 -127.511 96.9695 125.959 PRESSAVG: 4739800 28.3157 36.6525 10.2153 36.6526 -20.9777 -39.0005 10.2153 -39.0005 -17.512 GPRESSAVG: 4739800 27.303 35.5132 10.7658 34.4741 -20.3965 -39.912 10.6891 -36.763 -17.327 TIMING: 4739800 CPU: 14801, 0.00313821/step Wall: 14801, 0.00313821/step, 0.226823 hours remaining, 235.503906 MB of memory in use. ENERGY: 4739800 4005.5058 20540.2448 14439.5883 247.1204 -203136.9621 2794.2470 0.0000 0.0000 52204.3492 -108905.9066 300.0191 -161110.2558 -108543.3518 299.5689 -66.9686 -37.4662 762937.2681 -3.3913 -3.4735 PRESSURE: 4740000 -367.851 58.9489 38.3438 58.9489 162.16 83.9509 38.3438 83.9506 193.921 GPRESSURE: 4740000 -278.475 114.211 100.238 111.784 210.729 7.5511 64.0527 -46.829 126.766 PRESSAVG: 4740000 49.045 29.1041 -30.7331 29.1041 -34.6267 -23.8197 -30.7331 -23.8198 10.3483 GPRESSAVG: 4740000 47.9383 31.209 -32.7413 27.8883 -33.9905 -23.5295 -29.6626 -24.7033 10.9678 TIMING: 4740000 CPU: 14801.7, 0.00313482/step Wall: 14801.7, 0.00313482/step, 0.226404 hours remaining, 235.480469 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: 4740000 3984.3003 20516.4162 14516.1125 270.9475 -202998.3716 2711.7601 0.0000 0.0000 52049.6773 -108949.1577 299.1302 -160998.8350 -108598.1182 299.8447 -3.9234 19.6733 763402.7207 8.2556 8.3052 PRESSURE: 4740200 -254.337 -243.373 264.951 -243.374 -431.54 -1.09476 264.951 -1.09507 -38.7182 GPRESSURE: 4740200 -271.487 -195.237 267.143 -152.168 -368.556 30.0901 224.583 -75.445 -15.6379 PRESSAVG: 4740200 -42.2643 -12.5406 35.1222 -12.5405 5.53903 -9.55899 35.1222 -9.55902 -5.6262 GPRESSAVG: 4740200 -41.3622 -12.5911 36.5075 -12.1464 5.32683 -9.35573 34.5278 -8.50177 -6.58901 TIMING: 4740200 CPU: 14802.3, 0.00311328/step Wall: 14802.3, 0.00311328/step, 0.224675 hours remaining, 235.480469 MB of memory in use. ENERGY: 4740200 4022.9642 20547.0069 14480.7724 247.9956 -202874.5337 2479.2238 0.0000 0.0000 52142.7819 -108953.7889 299.6653 -161096.5707 -108588.9910 299.6123 -241.5317 -218.5604 763571.9514 -14.1171 -14.2081 LDB: ============= START OF LOAD BALANCING ============== 14814.7 LDB: ============== END OF LOAD BALANCING =============== 14814.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14814.8 LDB: ============= START OF LOAD BALANCING ============== 14815.1 LDB: Largest compute 7045 load 0.031931 is 16.3% of average load 0.195341 LDB: Average compute 0.004401 is 2.3% of average load 0.195341 LDB: TIME 14815.1 LOAD: AVG 0.195341 MAX 0.219816 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.262 MB LDB: TIME 14815.1 LOAD: AVG 0.195341 MAX 0.219816 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.398 MB LDB: TIME 14815.1 LOAD: AVG 0.195341 MAX 0.216663 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.398 MB LDB: ============== END OF LOAD BALANCING =============== 14815.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14815.1 PRESSURE: 4740400 323.16 151.404 -168.601 151.403 333.533 -139.176 -168.601 -139.175 394.19 GPRESSURE: 4740400 474.76 220.652 -156.392 91.1916 286.344 -193.409 -221.865 -107.604 355.865 PRESSAVG: 4740400 16.347 11.4845 -17.6142 11.4844 -23.2298 0.0488124 -17.6141 0.0487811 -14.8632 GPRESSAVG: 4740400 16.5071 11.7466 -18.863 11.6056 -24.2171 -0.629299 -20.0049 0.777404 -14.4952 TIMING: 4740400 CPU: 14802.9, 0.0031805/step Wall: 14802.9, 0.0031805/step, 0.22935 hours remaining, 235.222656 MB of memory in use. ENERGY: 4740400 3895.4853 20541.2087 14430.1796 224.1043 -203417.4865 2906.0760 0.0000 0.0000 52281.3173 -109139.1152 300.4614 -161420.4326 -108766.8359 299.6303 350.2943 372.3231 761759.8959 -7.2487 -7.4017 PRESSURE: 4740600 81.5815 201.923 -171.933 201.924 178.592 -90.5664 -171.933 -90.5662 374.142 GPRESSURE: 4740600 132.837 167.792 -170.743 144.832 147.237 41.9071 -75.2596 -114.176 456.648 PRESSAVG: 4740600 15.3795 11.3507 12.3495 11.3507 -21.7664 -19.4954 12.3495 -19.4953 -3.06543 GPRESSAVG: 4740600 15.8001 10.776 12.241 11.5303 -23.1594 -18.3581 14.8955 -21.6321 -2.86804 TIMING: 4740600 CPU: 14803.5, 0.00312239/step Wall: 14803.5, 0.00312239/step, 0.224986 hours remaining, 235.281250 MB of memory in use. ENERGY: 4740600 3875.7637 20571.7839 14493.1610 225.0697 -203096.1447 2834.0204 0.0000 0.0000 51887.0544 -109209.2916 298.1956 -161096.3460 -108856.2281 299.5962 211.4386 245.5739 762339.3977 -3.1508 -3.4091 PRESSURE: 4740800 246.379 66.1761 -17.8048 66.1755 251.459 44.483 -17.8052 44.4827 -289.929 GPRESSURE: 4740800 271.101 61.8698 -105.691 90.5278 261.233 40.3915 -5.88373 75.5411 -247.895 PRESSAVG: 4740800 -11.3921 -23.6085 47.3517 -23.6085 6.08659 6.52427 47.3516 6.52433 -34.5588 GPRESSAVG: 4740800 -11.2298 -22.7289 47.8662 -23.6245 6.95856 5.46029 46.4734 8.63435 -35.3678 TIMING: 4740800 CPU: 14804.2, 0.00312613/step Wall: 14804.2, 0.00312613/step, 0.225082 hours remaining, 235.292969 MB of memory in use. ENERGY: 4740800 4064.1583 20590.6827 14413.6990 238.4728 -203293.2218 2809.9930 0.0000 0.0000 51977.8001 -109198.4158 298.7171 -161176.2160 -108835.6552 299.0432 69.3032 94.8128 763784.7400 -13.2881 -13.2130 PRESSURE: 4741000 -364.191 -80.8274 -162.483 -80.8265 -454.11 -23.7108 -162.483 -23.7105 -161.73 GPRESSURE: 4741000 -419 -125.574 -56.1936 -38.5672 -378.422 36.6134 -129.331 27.909 -95.7982 PRESSAVG: 4741000 -29.4853 21.2037 -46.5586 21.2038 2.89722 61.1838 -46.5585 61.1837 -3.61421 GPRESSAVG: 4741000 -31.5078 18.8239 -45.0955 22.7862 3.5965 61.3212 -47.8041 59.2893 -2.79161 TIMING: 4741000 CPU: 14804.8, 0.00309699/step Wall: 14804.8, 0.00309699/step, 0.222811 hours remaining, 235.292969 MB of memory in use. ENERGY: 4741000 3938.6052 20665.1545 14445.2317 250.9032 -203237.7705 2704.4077 0.0000 0.0000 52165.2472 -109068.2209 299.7944 -161233.4680 -108698.6947 299.4723 -326.6771 -297.7399 764485.7338 -10.0674 -10.2343 PRESSURE: 4741200 -26.2874 -95.1966 -2.85543 -95.1964 28.1096 -189.387 -2.85433 -189.387 197.925 GPRESSURE: 4741200 -28.0994 126.349 -84.8614 -150.179 47.9856 -221.012 -29.0492 -187.165 275.657 PRESSAVG: 4741200 -7.73265 63.0088 -32.1338 63.0089 -8.67889 -54.256 -32.1337 -54.256 -15.4445 GPRESSAVG: 4741200 -7.88326 66.1916 -34.5701 60.0818 -8.40286 -53.7542 -32.0494 -51.4597 -15.3547 TIMING: 4741200 CPU: 14805.4, 0.00310525/step Wall: 14805.4, 0.00310525/step, 0.223233 hours remaining, 235.292969 MB of memory in use. ENERGY: 4741200 4013.3568 20672.5112 14435.1129 236.4959 -203259.8520 2800.2448 0.0000 0.0000 52147.2675 -108954.8629 299.6911 -161102.1304 -108592.7871 299.7586 66.5823 98.5143 763564.9069 -10.6187 -10.5469 PRESSURE: 4741400 -26.8024 69.5753 -41.6668 69.5752 -87.8184 5.98298 -41.6669 5.98436 476.047 GPRESSURE: 4741400 3.98288 28.8229 4.70102 36.4734 -74.6495 -22.8115 -60.8762 -133.47 500.762 PRESSAVG: 4741400 20.8186 48.8671 -29.4332 48.867 12.8888 -42.4753 -29.4332 -42.4753 14.1507 GPRESSAVG: 4741400 22.18 48.9922 -29.9554 49.9608 11.5272 -41.2644 -30.3638 -47.1791 14.9701 TIMING: 4741400 CPU: 14806, 0.00313765/step Wall: 14806, 0.00313765/step, 0.225388 hours remaining, 235.292969 MB of memory in use. ENERGY: 4741400 3982.4661 20646.5410 14452.5766 245.3123 -203053.9928 2682.0880 0.0000 0.0000 52057.8430 -108987.1659 299.1771 -161045.0089 -108622.9215 299.3130 120.4755 143.3652 762874.8355 15.9527 16.2258 PRESSURE: 4741600 -53.1364 76.0713 41.7866 76.0717 79.0001 100.131 41.7868 100.131 -121.377 GPRESSURE: 4741600 -108.066 48.9177 61.1457 32.7742 77.5106 142.133 12.3452 52.8499 -6.41241 PRESSAVG: 4741600 -46.1428 -36.8201 17.0334 -36.8201 45.9545 -22.978 17.0334 -22.9779 -20.7155 GPRESSAVG: 4741600 -46.4098 -41.1493 18.6389 -35.5763 47.0664 -23.9552 19.9644 -18.4101 -21.5495 TIMING: 4741600 CPU: 14806.6, 0.00310847/step Wall: 14806.6, 0.00310848/step, 0.223119 hours remaining, 235.425781 MB of memory in use. ENERGY: 4741600 3963.8280 20660.0747 14478.0724 239.8921 -203397.9802 2736.5360 0.0000 0.0000 52260.6148 -109058.9622 300.3425 -161319.5770 -108711.8451 299.2671 -31.8376 -12.3224 762812.8192 -6.9679 -6.9643 PRESSURE: 4741800 -316.463 -28.9018 -39.0968 -28.9022 -48.1235 -223.927 -39.0974 -223.929 141.026 GPRESSURE: 4741800 -249.579 -25.408 9.17676 -17.9061 -24.0146 -196.651 44.9796 -276.225 154.816 PRESSAVG: 4741800 -22.2154 51.4082 22.4532 51.4082 27.613 32.6892 22.4532 32.6893 8.23301 GPRESSAVG: 4741800 -21.7303 54.2409 19.972 50.5309 27.4657 32.5838 20.5261 31.7252 7.82971 TIMING: 4741800 CPU: 14807.3, 0.00310508/step Wall: 14807.3, 0.00310508/step, 0.222703 hours remaining, 235.425781 MB of memory in use. ENERGY: 4741800 4089.2448 20593.0795 14360.3451 251.1817 -203100.0247 2619.7685 0.0000 0.0000 52022.5801 -109163.8249 298.9745 -161186.4051 -108815.6582 299.6278 -74.5202 -39.5925 761897.7621 4.5435 4.5217 PRESSURE: 4742000 118.269 -160.386 -25.2594 -160.385 -297.439 61.0954 -25.2598 61.0962 -201.625 GPRESSURE: 4742000 207.273 -216.136 40.6757 -85.6392 -419.306 135.684 -97.307 2.48855 -94.2345 PRESSAVG: 4742000 -30.7388 34.5054 -3.77739 34.5054 20.8618 15.8699 -3.77734 15.8699 16.2073 GPRESSAVG: 4742000 -31.1624 33.2735 -2.42431 35.9038 20.0399 16.371 -2.47032 15.137 17.3114 TIMING: 4742000 CPU: 14807.9, 0.00310167/step Wall: 14807.9, 0.00310167/step, 0.222286 hours remaining, 235.425781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4742000 3972.3713 20663.7388 14398.2196 253.7005 -203104.9510 2502.9977 0.0000 0.0000 52240.0209 -109073.9021 300.2241 -161313.9230 -108717.1435 299.5915 -126.9315 -102.0892 761887.4602 2.1101 2.0630 PRESSURE: 4742200 66.5886 160.214 104.683 160.214 156.647 31.4217 104.683 31.4219 155.965 GPRESSURE: 4742200 116.888 115.924 48.9117 282.623 145.65 -53.1751 160.644 106.909 201.397 PRESSAVG: 4742200 -21.1977 37.3168 32.8437 37.3168 -20.7217 -10.6243 32.8437 -10.6244 17.5904 GPRESSAVG: 4742200 -20.686 38.9294 33.4314 35.9936 -20.5992 -10.0932 28.6283 -9.13295 16.3443 TIMING: 4742200 CPU: 14808.5, 0.00311328/step Wall: 14808.5, 0.00311328/step, 0.222945 hours remaining, 235.425781 MB of memory in use. ENERGY: 4742200 3989.2049 20651.3100 14435.2405 230.2908 -202863.1196 2428.8157 0.0000 0.0000 52103.1281 -109025.1296 299.4374 -161128.2577 -108672.9485 299.6357 126.4001 154.6450 762121.2227 -8.1096 -8.3136 PRESSURE: 4742400 -422.712 10.7182 -298.118 10.7185 -178.555 -190.704 -298.117 -190.705 -21.1435 GPRESSURE: 4742400 -383.555 16.1628 -286.965 -70.2827 -99.1068 -219.798 -151.591 -121.346 -61.374 PRESSAVG: 4742400 -7.06484 16.7101 -12.43 16.7102 52.7133 -46.301 -12.4301 -46.301 -16.4669 GPRESSAVG: 4742400 -7.64172 17.8359 -12.1351 16.9155 51.7871 -46.7308 -9.57443 -47.2707 -15.1392 TIMING: 4742400 CPU: 14809.1, 0.00311807/step Wall: 14809.1, 0.00311807/step, 0.223115 hours remaining, 235.425781 MB of memory in use. ENERGY: 4742400 4051.9610 20469.2721 14462.6749 237.9318 -202858.4540 2487.7813 0.0000 0.0000 52177.8766 -108970.9564 299.8670 -161148.8330 -108601.2329 300.1726 -207.4704 -181.3452 762897.6336 9.7272 9.6688 PRESSURE: 4742600 76.6395 199.331 39.2725 199.331 24.0429 54.4132 39.2735 54.4132 121.36 GPRESSURE: 4742600 120.977 242.773 92.7941 215.727 -88.9609 43.2855 40.8213 -20.5255 261.693 PRESSAVG: 4742600 17.0634 4.19887 10.0039 4.19882 -0.179861 -19.1659 10.0039 -19.1659 5.70242 GPRESSAVG: 4742600 16.327 2.53027 9.83204 2.95319 0.696256 -19.1112 11.5347 -19.9975 5.12738 TIMING: 4742600 CPU: 14809.8, 0.00312471/step Wall: 14809.8, 0.00312471/step, 0.223416 hours remaining, 235.425781 MB of memory in use. ENERGY: 4742600 4015.6741 20680.8415 14456.9110 253.4491 -203442.4470 2997.2724 0.0000 0.0000 52202.8944 -108835.4044 300.0108 -161038.2989 -108478.3683 300.1039 74.0142 97.9028 762279.0785 7.5286 7.3835 PRESSURE: 4742800 -207.945 27.5062 -58.1389 27.5065 -331.029 -45.4179 -58.1394 -45.4184 -710.001 GPRESSURE: 4742800 -350.489 -54.5812 -48.0574 42.3305 -148.035 -16.9079 -103.846 -3.78822 -673.144 PRESSAVG: 4742800 -15.8424 -32.2188 -28.5423 -32.2187 -2.44253 -15.8539 -28.5423 -15.8539 13.3338 GPRESSAVG: 4742800 -14.9327 -31.5745 -27.6646 -29.224 -3.11643 -16.2305 -29.906 -13.4349 12.9976 TIMING: 4742800 CPU: 14810.4, 0.00311282/step Wall: 14810.4, 0.00311282/step, 0.222394 hours remaining, 235.425781 MB of memory in use. ENERGY: 4742800 4015.1533 20795.2775 14427.1931 255.9857 -202700.7327 2249.7591 0.0000 0.0000 52174.8823 -108782.4817 299.8498 -160957.3640 -108415.9681 300.2590 -416.3249 -390.5556 763193.0332 -1.6504 -1.6839 PRESSURE: 4743000 -414.906 20.1735 -95.9285 20.1736 -39.7879 28.112 -95.9276 28.1119 -50.8228 GPRESSURE: 4743000 -226.001 77.4657 -81.8347 -32.6387 -89.0092 45.54 -138.555 96.3917 -78.9641 PRESSAVG: 4743000 11.4168 -18.4863 -4.15299 -18.4863 -26.716 -36.8449 -4.15297 -36.8449 0.832427 GPRESSAVG: 4743000 11.2637 -18.6094 -5.02413 -20.8495 -26.4913 -37.051 -4.93915 -39.0576 0.843725 TIMING: 4743000 CPU: 14811, 0.00311615/step Wall: 14811, 0.00311615/step, 0.222458 hours remaining, 235.425781 MB of memory in use. ENERGY: 4743000 3944.3131 20674.3198 14491.9788 244.6415 -203034.4277 2799.0861 0.0000 0.0000 52148.8708 -108731.2175 299.7003 -160880.0883 -108375.6981 300.0800 -168.5056 -131.3249 764482.0785 -4.8223 -4.7946 PRESSURE: 4743200 -222.761 65.9252 -71.8047 65.9244 179.919 -41.351 -71.8044 -41.3504 -54.8846 GPRESSURE: 4743200 -206.833 -53.1031 -19.916 28.4614 231.257 -56.164 -16.6049 -32.1218 -40.1444 PRESSAVG: 4743200 -18.8099 -27.4889 -6.74766 -27.4889 30.8437 -47.2413 -6.74766 -47.2414 4.65322 GPRESSAVG: 4743200 -17.6353 -29.9699 -6.65676 -25.9047 29.5283 -47.4151 -5.58438 -46.2783 4.19881 TIMING: 4743200 CPU: 14811.6, 0.00310626/step Wall: 14811.6, 0.00310626/step, 0.22158 hours remaining, 235.425781 MB of memory in use. ENERGY: 4743200 4084.5184 20664.2906 14461.5278 254.6478 -203492.7743 2948.9703 0.0000 0.0000 52521.1138 -108557.7056 301.8396 -161078.8195 -108180.8787 300.4008 -32.5756 -5.2402 763444.1318 5.5623 5.3640 PRESSURE: 4743400 188.814 94.9876 40.0499 94.9886 -152.92 -141.021 40.0502 -141.021 31.0802 GPRESSURE: 4743400 215.88 26.0184 84.7492 104.202 -84.6537 -122.459 22.7495 -174.853 18.3588 PRESSAVG: 4743400 36.424 11.9367 -36.7379 11.9366 -47.3832 -33.5927 -36.7379 -33.5927 -10.871 GPRESSAVG: 4743400 34.7481 12.3154 -37.8882 11.9388 -45.6732 -34.5491 -35.985 -33.1871 -10.8278 TIMING: 4743400 CPU: 14812.3, 0.0031108/step Wall: 14812.3, 0.0031108/step, 0.221731 hours remaining, 235.425781 MB of memory in use. ENERGY: 4743400 4003.2799 20820.7483 14556.3326 245.3031 -203432.7334 2995.8984 0.0000 0.0000 52108.9941 -108702.1769 299.4711 -160811.1710 -108342.4482 300.1020 22.3248 49.8619 763409.0407 -7.2767 -7.2510 PRESSURE: 4743600 -180.465 -163.753 -104.078 -163.753 -141.947 238.133 -104.079 238.133 -217.607 GPRESSURE: 4743600 -74.2131 -129.694 -109.155 -21.9575 -108.097 327.795 -128.877 153.092 -277.65 PRESSAVG: 4743600 24.2363 -25.4367 -31.7888 -25.4366 -19.815 38.446 -31.7888 38.446 -5.36805 GPRESSAVG: 4743600 24.129 -22.5928 -32.0287 -25.3972 -20.6018 39.6846 -32.2142 38.5701 -4.68151 TIMING: 4743600 CPU: 14812.9, 0.00311388/step Wall: 14812.9, 0.00311388/step, 0.221778 hours remaining, 235.425781 MB of memory in use. ENERGY: 4743600 4014.9988 20687.8930 14420.5757 265.2738 -203424.2828 3178.5720 0.0000 0.0000 52360.3620 -108496.6075 300.9157 -160856.9695 -108141.8081 301.1381 -180.0065 -153.3201 766024.4081 -0.3156 -0.3848 PRESSURE: 4743800 -280.464 -115.703 -76.937 -115.703 -137.587 95.4638 -76.9366 95.4627 62.4221 GPRESSURE: 4743800 -280.531 -86.7792 -105.448 -123.76 -73.4104 25.9859 -74.9073 197.077 66.0887 PRESSAVG: 4743800 45.5584 -6.47826 -40.2121 -6.47822 -12.3864 33.3587 -40.2121 33.3587 -3.51288 GPRESSAVG: 4743800 45.7057 -8.53223 -39.6713 -5.72875 -12.593 33.8501 -41.2445 33.728 -3.40208 TIMING: 4743800 CPU: 14813.5, 0.00309428/step Wall: 14813.5, 0.00309428/step, 0.22021 hours remaining, 235.425781 MB of memory in use. ENERGY: 4743800 4109.9639 20676.5668 14409.2028 240.9611 -203057.8227 2768.9366 0.0000 0.0000 52245.8782 -108606.3133 300.2578 -160852.1915 -108247.4122 300.7124 -118.5430 -95.9510 763351.4432 9.8864 9.9035 PRESSURE: 4744000 373.56 38.5407 34.7853 38.5405 291.772 -6.70408 34.7851 -6.70479 147.087 GPRESSURE: 4744000 440.695 20.8213 90.7286 73.0527 208.597 30.4307 -130.62 60.6115 232.229 PRESSAVG: 4744000 36.1602 -11.5226 -15.4278 -11.5226 -30.4612 38.7394 -15.4278 38.7394 -5.34035 GPRESSAVG: 4744000 35.3854 -9.28007 -15.6574 -13.4195 -29.9565 38.5995 -15.3102 39.2205 -5.61068 TIMING: 4744000 CPU: 14814.1, 0.00308635/step Wall: 14814.1, 0.00308635/step, 0.219474 hours remaining, 235.425781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4744000 3935.3617 20547.9267 14416.3044 241.7859 -202981.3866 2877.8616 0.0000 0.0000 52436.0771 -108526.0692 301.3509 -160962.1463 -108158.2350 300.5078 270.8063 293.8404 763338.0191 0.1195 -0.0606 PRESSURE: 4744200 -404.988 -49.4316 -85.0982 -49.4308 92.1346 40.7588 -85.098 40.7592 -303.322 GPRESSURE: 4744200 -339.005 -77.9251 -178.771 10.3893 70.6794 -53.9627 -29.6786 -17.1136 -242.676 PRESSAVG: 4744200 -15.8007 -7.75968 4.6283 -7.75965 -0.908978 51.9751 4.62837 51.9751 6.63959 GPRESSAVG: 4744200 -15.7098 -10.9048 4.7626 -7.13059 -1.57506 53.2999 3.91572 49.1333 7.43883 TIMING: 4744200 CPU: 14814.7, 0.00309216/step Wall: 14814.7, 0.00309216/step, 0.219715 hours remaining, 235.425781 MB of memory in use. ENERGY: 4744200 4002.4805 20528.5090 14494.1937 237.9658 -202726.1934 2768.7173 0.0000 0.0000 52127.4875 -108566.8395 299.5774 -160694.3271 -108203.4145 300.5717 -205.3918 -170.3338 764708.4172 -3.3567 -3.2820 LDB: ============= START OF LOAD BALANCING ============== 14827.2 LDB: ============== END OF LOAD BALANCING =============== 14827.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14827.2 LDB: ============= START OF LOAD BALANCING ============== 14827.5 LDB: Largest compute 7059 load 0.031725 is 16.2% of average load 0.195414 LDB: Average compute 0.004388 is 2.2% of average load 0.195414 LDB: TIME 14827.5 LOAD: AVG 0.195414 MAX 0.214225 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.316 MB LDB: TIME 14827.5 LOAD: AVG 0.195414 MAX 0.214225 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.316 MB LDB: TIME 14827.5 LOAD: AVG 0.195414 MAX 0.214225 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.316 MB LDB: ============== END OF LOAD BALANCING =============== 14827.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14827.5 PRESSURE: 4744400 51.414 -274.749 197.327 -274.75 -285.716 -222 197.327 -221.999 -383.767 GPRESSURE: 4744400 68.9105 -266.709 232.135 -108.825 -226.417 -187.522 249.965 -73.0958 -372.309 PRESSAVG: 4744400 12.3445 -1.23289 40.6136 -1.23292 -16.7109 -12.5096 40.6136 -12.5096 3.46108 GPRESSAVG: 4744400 13.2424 -0.0953726 42.3179 0.187605 -16.2615 -12.9746 41.9997 -11.5309 2.41247 TIMING: 4744400 CPU: 14815.4, 0.0031607/step Wall: 14815.4, 0.0031607/step, 0.22441 hours remaining, 233.546875 MB of memory in use. ENERGY: 4744400 3913.8606 20518.1088 14503.5129 254.8292 -202678.2462 2614.6016 0.0000 0.0000 52250.7710 -108622.5621 300.2859 -160873.3331 -108256.5437 300.5752 -206.0231 -176.6052 763882.8192 -0.3018 -0.2022 PRESSURE: 4744600 -292.347 -89.228 63.8899 -89.2284 42.5621 50.3382 63.89 50.3374 -58.0472 GPRESSURE: 4744600 -281.548 -101.23 39.8596 -44.0306 116.275 -14.7849 65.1594 20.2922 -66.0534 PRESSAVG: 4744600 -42.0217 35.4525 -30.8678 35.4525 7.06402 49.4211 -30.8677 49.4211 4.8244 GPRESSAVG: 4744600 -40.9865 35.1237 -32.5331 33.8346 6.4843 48.907 -30.4284 49.2672 4.36438 TIMING: 4744600 CPU: 14816, 0.00308189/step Wall: 14816, 0.00308189/step, 0.218643 hours remaining, 233.601562 MB of memory in use. ENERGY: 4744600 3977.2179 20603.8339 14502.3561 266.0318 -202437.3410 2498.6140 0.0000 0.0000 52026.6807 -108562.6065 298.9980 -160589.2873 -108206.2481 299.8229 -102.6107 -77.1090 764849.8467 -10.0444 -10.0459 PRESSURE: 4744800 -98.8307 92.1468 -223.927 92.1473 182.285 109.173 -223.926 109.175 159.559 GPRESSURE: 4744800 7.82736 65.0562 -321.069 126.141 150.581 128.914 -86.0124 -93.9374 166.253 PRESSAVG: 4744800 4.66546 -56.2535 16.6974 -56.2536 -29.1917 -6.30245 16.6975 -6.30253 -4.62123 GPRESSAVG: 4744800 3.91654 -55.4015 17.3778 -55.7638 -29.5598 -8.47365 15.6425 -4.40338 -3.77124 TIMING: 4744800 CPU: 14816.6, 0.0030892/step Wall: 14816.6, 0.0030892/step, 0.21899 hours remaining, 233.671875 MB of memory in use. ENERGY: 4744800 3956.0333 20812.5606 14512.4205 241.4891 -202871.6091 2864.7068 0.0000 0.0000 52078.9783 -108405.4204 299.2986 -160484.3987 -108039.5049 300.9074 81.0044 108.2205 765024.0409 -9.7158 -9.8048 PRESSURE: 4745000 -64.1548 -105.045 97.1714 -105.045 88.2521 -188.14 97.1711 -188.141 80.6064 GPRESSURE: 4745000 -83.5084 -76.0384 126.901 -184.154 192.717 -156.604 -35.3978 -199.94 92.4903 PRESSAVG: 4745000 21.6451 -58.1612 13.5829 -58.1612 -2.47573 23.9844 13.5829 23.9843 9.82904 GPRESSAVG: 4745000 21.2277 -59.5791 11.9313 -59.1948 -1.99189 25.7182 12.9393 23.0446 10.0599 TIMING: 4745000 CPU: 14817.2, 0.00309985/step Wall: 14817.2, 0.00309985/step, 0.219573 hours remaining, 233.671875 MB of memory in use. ENERGY: 4745000 4033.0396 20680.7176 14518.7810 252.8007 -202754.8421 2649.8068 0.0000 0.0000 52019.6758 -108600.0206 298.9578 -160619.6964 -108238.2315 301.2284 34.9012 67.2330 763689.8355 9.6661 9.7652 PRESSURE: 4745200 -199.686 -164.723 -77.044 -164.723 -83.4181 -162.179 -77.0444 -162.181 323.514 GPRESSURE: 4745200 -55.8471 -62.8381 -79.4047 -189.871 -85.0155 -134.621 -50.8865 -184.022 305.204 PRESSAVG: 4745200 1.14656 -34.8479 0.640305 -34.848 20.3681 -33.8075 0.640285 -33.8075 -21.4527 GPRESSAVG: 4745200 0.777179 -33.875 0.490334 -31.9554 20.2471 -34.7683 3.89725 -32.0244 -21.6333 TIMING: 4745200 CPU: 14817.8, 0.00309916/step Wall: 14817.8, 0.00309916/step, 0.219352 hours remaining, 233.660156 MB of memory in use. ENERGY: 4745200 4002.1133 20521.4721 14393.0972 245.6407 -203136.8786 3034.9493 0.0000 0.0000 52194.2936 -108745.3124 299.9613 -160939.6059 -108384.4773 300.6607 13.4703 54.7805 763013.6494 0.0207 -0.2030 PRESSURE: 4745400 -148.92 40.9696 34.3663 40.9705 -225.048 -90.7209 34.3668 -90.7218 -6.98905 GPRESSURE: 4745400 -241.495 -66.2749 8.33241 188.719 -125.097 -129.425 -121.288 -26.019 79.972 PRESSAVG: 4745400 6.43951 -15.9191 -6.00293 -15.9191 -5.4034 -35.0265 -6.00293 -35.0265 18.1191 GPRESSAVG: 4745400 7.43192 -16.4361 -4.15262 -17.4056 -6.48004 -33.7045 -8.45194 -37.6814 18.5849 TIMING: 4745400 CPU: 14818.5, 0.00309723/step Wall: 14818.5, 0.00309723/step, 0.219043 hours remaining, 233.671875 MB of memory in use. ENERGY: 4745400 4004.1728 20569.0238 14429.7046 245.6648 -203044.1938 2783.5783 0.0000 0.0000 52061.1737 -108950.8757 299.1963 -161012.0494 -108588.1856 300.3669 -126.9857 -95.5402 763135.3588 6.3851 6.5123 PRESSURE: 4745600 -602.153 -157.379 -233.056 -157.379 -303.426 184.363 -233.056 184.364 -115.725 GPRESSURE: 4745600 -524.474 -147.689 -220.687 -335.393 -315.886 158.059 -24.7514 289.438 -100.255 PRESSAVG: 4745600 9.89849 12.0167 1.20459 12.0167 -49.5988 30.5274 1.20462 30.5274 14.0608 GPRESSAVG: 4745600 9.37513 13.4745 1.23885 10.7061 -48.7713 28.288 1.22658 33.0377 13.8548 TIMING: 4745600 CPU: 14819.1, 0.00308791/step Wall: 14819.1, 0.00308791/step, 0.218212 hours remaining, 233.671875 MB of memory in use. ENERGY: 4745600 4114.2096 20742.4365 14415.2461 244.7084 -203377.6522 2755.6380 0.0000 0.0000 52042.2399 -109063.1737 299.0875 -161105.4135 -108707.6441 299.4428 -340.4346 -313.5384 764429.5787 -8.5465 -8.5138 PRESSURE: 4745800 43.1636 64.3298 14.3486 64.3306 295.352 76.0254 14.3489 76.0253 28.9726 GPRESSURE: 4745800 113.726 61.6779 8.63595 89.8243 221.039 97.1289 -16.1461 31.3764 102.114 PRESSAVG: 4745800 -2.05086 -10.4017 22.8788 -10.4018 14.6308 40.7046 22.8788 40.7046 7.24712 GPRESSAVG: 4745800 -2.1027 -12.5457 23.0546 -8.86188 14.4152 43.0161 22.9182 39.0704 7.12746 TIMING: 4745800 CPU: 14819.7, 0.00308307/step Wall: 14819.7, 0.00308307/step, 0.217699 hours remaining, 233.671875 MB of memory in use. ENERGY: 4745800 4017.9792 20536.9983 14312.0748 244.6285 -203023.0427 2727.5825 0.0000 0.0000 52018.0909 -109165.6886 298.9487 -161183.7795 -108796.8782 299.5390 122.4960 145.6264 764139.7876 6.6090 6.4800 PRESSURE: 4746000 344.882 28.5789 39.4985 28.5791 -180.297 145.433 39.4998 145.435 -123.007 GPRESSURE: 4746000 343.483 56.4895 -9.12491 31.323 -121.216 88.973 -100.4 121.077 -103.948 PRESSAVG: 4746000 55.3095 -21.5092 52.2918 -21.5092 -34.0221 -26.5182 52.2918 -26.5182 2.8328 GPRESSAVG: 4746000 54.9781 -18.6274 49.9963 -22.2625 -33.9654 -27.3882 52.9009 -26.0263 3.21179 TIMING: 4746000 CPU: 14820.3, 0.00307912/step Wall: 14820.3, 0.00307912/step, 0.217249 hours remaining, 233.671875 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: 4746000 3934.7467 20486.5124 14390.5828 249.1298 -203239.2232 2602.2820 0.0000 0.0000 52194.1093 -109381.8601 299.9603 -161575.9694 -109020.5984 299.6287 13.8594 39.4398 762113.4757 8.0401 8.0748 PRESSURE: 4746200 -23.4905 -80.9115 174.125 -80.9124 -27.2575 140.391 174.125 140.392 -65.0084 GPRESSURE: 4746200 -0.928576 -104.671 130.334 34.0975 31.9459 112.578 94.4169 161.225 -53.0928 PRESSAVG: 4746200 -9.3576 56.9427 -13.2016 56.9427 12.6571 0.0417753 -13.2016 0.0418789 -6.02892 GPRESSAVG: 4746200 -9.80458 54.0548 -12.7488 59.0259 12.8843 -0.620438 -13.5678 -0.907617 -5.9104 TIMING: 4746200 CPU: 14820.9, 0.00309801/step Wall: 14820.9, 0.00309801/step, 0.21841 hours remaining, 233.671875 MB of memory in use. ENERGY: 4746200 4024.1037 20654.7063 14373.5597 240.9179 -203169.7972 2678.2906 0.0000 0.0000 51929.0913 -109269.1277 298.4372 -161198.2190 -108909.6675 299.2041 -38.5855 -7.3585 762022.6032 -0.9098 -0.9436 PRESSURE: 4746400 -95.5623 6.20772 -24.2256 6.20742 24.6469 -105.016 -24.2254 -105.016 -70.6699 GPRESSURE: 4746400 -44.6573 108.585 -33.5128 2.50387 92.091 -97.3613 51.0482 -78.5728 -86.9788 PRESSAVG: 4746400 -78.2445 18.6739 -15.1734 18.674 28.7183 -47.2181 -15.1734 -47.2181 -8.43212 GPRESSAVG: 4746400 -77.3685 20.7304 -13.8497 17.3343 28.2563 -46.0883 -14.9391 -46.2726 -9.02463 TIMING: 4746400 CPU: 14821.5, 0.00310237/step Wall: 14821.5, 0.00310237/step, 0.218545 hours remaining, 233.671875 MB of memory in use. ENERGY: 4746400 4065.7546 20419.5535 14453.5039 234.1266 -203252.9191 2855.6823 0.0000 0.0000 51800.8922 -109423.4061 297.7004 -161224.2983 -109064.0832 298.7248 -47.1951 -13.1817 763422.4581 -19.3194 -19.3789 PRESSURE: 4746600 393.808 33.8409 -32.8243 33.8407 -0.542991 -49.3519 -32.8247 -49.3529 -21.6543 GPRESSURE: 4746600 405.23 96.1415 -58.7754 78.7935 7.5681 -57.3111 -191.821 -60.5868 42.4539 PRESSAVG: 4746600 18.1562 47.4493 -42.8908 47.4493 48.9388 -4.1068 -42.8909 -4.10682 10.8382 GPRESSAVG: 4746600 18.3271 47.8471 -42.5885 47.3976 48.5314 -2.20365 -45.4666 -5.05229 11.069 TIMING: 4746600 CPU: 14822.2, 0.00308805/step Wall: 14822.2, 0.00308805/step, 0.217364 hours remaining, 233.671875 MB of memory in use. ENERGY: 4746600 4032.6778 20501.7925 14344.7395 239.7227 -203325.7016 2762.5413 0.0000 0.0000 52032.2061 -109412.0217 299.0298 -161444.2277 -109053.7013 299.1084 123.8702 151.7508 760648.0445 25.9777 25.9759 PRESSURE: 4746800 105.15 -129.03 61.0584 -129.03 -63.6645 -128.396 61.0587 -128.396 336.71 GPRESSURE: 4746800 160.328 -168.723 114.947 -143.616 -16.4846 -148.729 44.5522 -102.931 311.664 PRESSAVG: 4746800 -17.8269 14.8544 11.2119 14.8544 1.65898 69.21 11.2119 69.2099 -6.32248 GPRESSAVG: 4746800 -15.9571 14.8775 12.3137 15.2963 1.21209 65.5584 10.9578 71.6025 -7.01299 TIMING: 4746800 CPU: 14822.8, 0.00309767/step Wall: 14822.8, 0.00309767/step, 0.21787 hours remaining, 233.656250 MB of memory in use. ENERGY: 4746800 4019.1804 20479.8117 14425.5271 241.1632 -203192.6262 2590.8768 0.0000 0.0000 52096.8670 -109339.2001 299.4014 -161436.0671 -108973.9968 298.8079 126.0653 151.8358 760852.3833 -7.4968 -7.2527 PRESSURE: 4747000 185.811 -41.7849 -5.37141 -41.7849 116.713 -85.6048 -5.37221 -85.604 460.25 GPRESSURE: 4747000 265.991 -14.7423 -44.599 -51.8621 150.161 -49.389 98.399 32.4337 423.956 PRESSAVG: 4747000 -0.608167 0.933393 -19.1946 0.933321 31.1844 78.2951 -19.1946 78.295 -9.08665 GPRESSAVG: 4747000 -2.44509 -0.493805 -22.0026 1.02239 31.3145 79.0076 -17.5554 77.0706 -8.11743 TIMING: 4747000 CPU: 14823.4, 0.00309787/step Wall: 14823.4, 0.00309788/step, 0.217712 hours remaining, 233.671875 MB of memory in use. ENERGY: 4747000 3882.5101 20373.4502 14401.1852 230.8377 -203561.5066 2971.3501 0.0000 0.0000 52215.1244 -109487.0489 300.0810 -161702.1733 -109116.7248 299.3558 254.2580 280.0361 761537.0712 7.1632 6.9173 PRESSURE: 4747200 -158.609 7.87587 44.1933 7.87576 -48.1046 203.963 44.1934 203.962 158.141 GPRESSURE: 4747200 -139.671 71.7029 90.6262 81.2429 -14.3929 242.426 87.7977 126.982 192.511 PRESSAVG: 4747200 48.6598 -5.42314 15.3044 -5.42315 -10.3887 18.3989 15.3045 18.3989 10.4925 GPRESSAVG: 4747200 48.5735 -2.58813 15.1388 -6.97288 -9.98798 20.5613 13.9858 16.1618 10.1729 TIMING: 4747200 CPU: 14824, 0.00310515/step Wall: 14824, 0.00310515/step, 0.218051 hours remaining, 233.671875 MB of memory in use. ENERGY: 4747200 4040.0374 20299.3896 14322.9149 242.9085 -203111.1760 2416.6737 0.0000 0.0000 52308.9581 -109480.2936 300.6203 -161789.2518 -109111.0345 299.0060 -16.1911 12.8158 761951.9515 16.2545 16.2528 PRESSURE: 4747400 122.342 -95.5807 -156.849 -95.5801 -152.637 90.3262 -156.848 90.3251 211.482 GPRESSURE: 4747400 158.891 -4.27689 -181.825 -94.1183 -83.9518 68.9638 -63.7241 59.128 207.308 PRESSAVG: 4747400 65.2998 -11.6981 5.31337 -11.698 -75.7522 12.5374 5.31337 12.5372 12.9064 GPRESSAVG: 4747400 64.8797 -14.202 6.48846 -11.3829 -75.2162 10.8266 7.87772 14.4679 12.9816 TIMING: 4747400 CPU: 14824.6, 0.0030915/step Wall: 14824.6, 0.0030915/step, 0.21692 hours remaining, 233.671875 MB of memory in use. ENERGY: 4747400 3940.3692 20317.8611 14367.1780 236.9871 -203203.3246 2692.8081 0.0000 0.0000 52164.3107 -109483.8104 299.7890 -161648.1211 -109112.5798 299.1132 60.3959 94.0826 762375.6252 0.8180 0.8817 PRESSURE: 4747600 -200.364 -50.2059 11.1744 -50.2055 -160.717 158.201 11.1736 158.203 -243.47 GPRESSURE: 4747600 -215.716 -26.6791 -54.8184 20.7934 -135.176 102.848 3.42677 209.307 -168.922 PRESSAVG: 4747600 -71.1675 -32.0836 65.5187 -32.0837 70.1999 63.47 65.5187 63.47 -10.7959 GPRESSAVG: 4747600 -70.2314 -30.8964 65.0085 -31.2988 69.7709 62.8592 63.1511 63.6767 -10.849 TIMING: 4747600 CPU: 14825.3, 0.00309943/step Wall: 14825.3, 0.00309943/step, 0.217305 hours remaining, 233.671875 MB of memory in use. ENERGY: 4747600 3998.7835 20553.5153 14422.5414 245.3180 -203259.0778 2718.6058 0.0000 0.0000 52058.8251 -109261.4887 299.1828 -161320.3138 -108897.0019 299.2258 -201.5167 -173.2713 764425.1010 -3.9212 -3.7698 PRESSURE: 4747800 214.928 -78.6834 220.146 -78.6838 214.601 -34.429 220.146 -34.4293 -149.826 GPRESSURE: 4747800 221.244 -58.4428 240.429 -65.6535 298.996 -74.6429 98.0991 -14.8163 -160.015 PRESSAVG: 4747800 6.79378 -10.2753 9.71056 -10.2753 -1.08277 104.584 9.71061 104.584 0.21988 GPRESSAVG: 4747800 5.50659 -9.40677 10.5067 -10.8453 0.244129 105.093 7.54823 105.09 -0.0376745 TIMING: 4747800 CPU: 14825.9, 0.00310239/step Wall: 14825.9, 0.00310239/step, 0.21734 hours remaining, 233.671875 MB of memory in use. ENERGY: 4747800 4023.6968 20263.0316 14440.7485 222.0787 -203311.2352 2833.2272 0.0000 0.0000 52278.6080 -109249.8445 300.4459 -161528.4525 -108885.5048 299.9370 93.2345 120.0749 761646.8497 1.9770 1.9043 PRESSURE: 4748000 -0.192872 -199.079 -246.812 -199.079 -249.1 220.906 -246.812 220.905 -449.602 GPRESSURE: 4748000 42.0487 -154.639 -289.818 -188.473 -176.05 167.929 -148.776 364.142 -488.851 PRESSAVG: 4748000 79.1565 -33.9585 -48.5485 -33.9585 -27.29 8.6123 -48.5485 8.61222 10.7254 GPRESSAVG: 4748000 79.6275 -37.6268 -48.4933 -33.8015 -28.7723 9.25771 -45.577 6.68856 11.291 TIMING: 4748000 CPU: 14826.5, 0.00308424/step Wall: 14826.5, 0.00308424/step, 0.215897 hours remaining, 233.671875 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: 4748000 4052.0382 20456.9374 14400.9420 263.9751 -202994.5183 2652.6220 0.0000 0.0000 51988.7332 -109179.2703 298.7800 -161168.0034 -108813.9529 299.0853 -232.9651 -207.6175 762942.1796 20.8640 20.7154 PRESSURE: 4748200 35.0885 111.556 -66.8933 111.556 86.3915 17.4573 -66.894 17.4569 238.187 GPRESSURE: 4748200 25.0932 168.763 -18.7555 -3.09595 63.8304 111.2 -89.9182 0.226365 336.872 PRESSAVG: 4748200 -2.87858 -18.4153 19.0027 -18.4153 -12.2704 -10.4655 19.0026 -10.4655 -14.3337 GPRESSAVG: 4748200 -2.78819 -16.8384 19.5168 -17.5298 -12.6882 -10.4048 19.9551 -8.67783 -13.926 TIMING: 4748200 CPU: 14827.1, 0.00308594/step Wall: 14827.1, 0.00308594/step, 0.215844 hours remaining, 233.671875 MB of memory in use. ENERGY: 4748200 3963.1938 20459.4571 14404.9888 241.8040 -203154.4721 2800.6223 0.0000 0.0000 52233.3946 -109051.0114 300.1860 -161284.4061 -108681.6732 299.3536 119.8891 141.9320 762587.3887 -9.8276 -9.8008 LDB: ============= START OF LOAD BALANCING ============== 14839.6 LDB: ============== END OF LOAD BALANCING =============== 14839.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14839.6 LDB: ============= START OF LOAD BALANCING ============== 14839.9 LDB: Largest compute 7045 load 0.032809 is 16.8% of average load 0.195359 LDB: Average compute 0.004390 is 2.2% of average load 0.195359 LDB: TIME 14839.9 LOAD: AVG 0.195359 MAX 0.216354 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.348 MB LDB: TIME 14839.9 LOAD: AVG 0.195359 MAX 0.216354 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.348 MB LDB: TIME 14839.9 LOAD: AVG 0.195359 MAX 0.216354 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.348 MB LDB: ============== END OF LOAD BALANCING =============== 14839.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14839.9 PRESSURE: 4748400 265.486 29.8806 57.1451 29.8803 133.776 171.62 57.145 171.621 -138.741 GPRESSURE: 4748400 246.346 1.83845 43.2094 11.7431 200.88 167.775 -84.0653 38.875 -108.503 PRESSAVG: 4748400 15.7446 13.7639 82.423 13.7639 -36.3318 13.1437 82.423 13.1437 -2.16895 GPRESSAVG: 4748400 16.1872 14.3609 80.2042 13.244 -34.6 12.0031 81.8461 11.376 -4.03214 TIMING: 4748400 CPU: 14827.7, 0.00317169/step Wall: 14827.7, 0.00317169/step, 0.221666 hours remaining, 236.054688 MB of memory in use. ENERGY: 4748400 4001.9868 20502.6789 14414.6487 235.0459 -203507.2293 2999.1649 0.0000 0.0000 52193.2418 -109160.4623 299.9553 -161353.7041 -108799.9518 299.3023 86.8403 112.9078 763897.6149 -7.5854 -7.4817 PRESSURE: 4748600 69.9651 -75.6457 -47.1152 -75.6456 30.9059 -57.4959 -47.1138 -57.495 -512.605 GPRESSURE: 4748600 117.922 -151.123 -39.9159 4.93137 33.7019 -110.983 -13.8315 98.8078 -468.019 PRESSAVG: 4748600 16.8916 -31.9407 15.0303 -31.9406 9.79815 32.9783 15.0302 32.9783 -7.9399 GPRESSAVG: 4748600 16.0347 -31.6362 17.5151 -32.4873 10.1041 32.6762 13.8556 34.4544 -6.85733 TIMING: 4748600 CPU: 14828.4, 0.00309581/step Wall: 14828.4, 0.00309581/step, 0.216191 hours remaining, 236.531250 MB of memory in use. ENERGY: 4748600 3978.3358 20524.0854 14402.4272 239.3767 -202792.5767 2434.0332 0.0000 0.0000 52198.9038 -109015.4145 299.9878 -161214.3183 -108654.8031 299.3482 -137.2445 -105.4650 764746.1355 6.2499 6.4271 PRESSURE: 4748800 -265.748 1.35194 -98.1084 1.35208 -517.958 23.5109 -98.1083 23.5112 -44.7379 GPRESSURE: 4748800 -195.625 -73.373 -84.6154 -49.8292 -498.036 -45.2607 -66.8404 -37.883 -28.7488 PRESSAVG: 4748800 35.9847 -13.4957 5.63887 -13.4957 -48.334 47.5141 5.63888 47.5141 24.2789 GPRESSAVG: 4748800 36.9212 -12.9424 4.32292 -12.4451 -49.0337 47.6274 8.70718 46.4944 24.0634 TIMING: 4748800 CPU: 14829, 0.00310195/step Wall: 14829, 0.00310195/step, 0.216447 hours remaining, 236.531250 MB of memory in use. ENERGY: 4748800 3906.0137 20718.3231 14459.1393 254.9178 -202587.5423 2178.2196 0.0000 0.0000 51994.2939 -109076.6348 298.8119 -161070.9288 -108713.2726 299.9557 -276.1479 -240.8030 764788.8052 3.9765 3.9837 PRESSURE: 4749000 -37.6014 13.6328 -107.696 13.6325 -300.585 85.2134 -107.697 85.2127 -203.358 GPRESSURE: 4749000 49.9159 120.694 -218.006 122.925 -274.968 94.3994 -91.0894 237.65 -233.871 PRESSAVG: 4749000 12.7578 19.837 13.624 19.837 -42.8646 60.3706 13.624 60.3706 32.9491 GPRESSAVG: 4749000 13.0542 19.1823 12.9085 21.099 -42.7791 60.9887 10.5648 61.7355 32.6693 TIMING: 4749000 CPU: 14829.6, 0.00309838/step Wall: 14829.6, 0.00309838/step, 0.216026 hours remaining, 236.785156 MB of memory in use. ENERGY: 4749000 3987.7394 20571.9875 14386.3621 231.5753 -203291.2089 2791.3065 0.0000 0.0000 52119.3457 -109202.8924 299.5306 -161322.2380 -108835.1701 299.3982 -180.5147 -152.9743 763749.9678 0.9474 0.9815 PRESSURE: 4749200 356.608 9.31373 10.9875 9.31499 96.4918 222.935 10.9879 222.934 -20.6822 GPRESSURE: 4749200 296.75 -74.8738 11.6091 129.806 198.855 167.07 81.055 170.494 25.9452 PRESSAVG: 4749200 47.1352 -4.68663 11.9622 -4.68663 -28.1201 33.607 11.9622 33.607 2.5835 GPRESSAVG: 4749200 46.4841 -3.55483 13.5607 -5.72363 -27.6297 32.7856 10.8651 30.4536 2.76965 TIMING: 4749200 CPU: 14830.2, 0.0031057/step Wall: 14830.2, 0.0031057/step, 0.216364 hours remaining, 236.785156 MB of memory in use. ENERGY: 4749200 3943.2792 20506.1515 14381.6626 255.2351 -203337.2879 2846.9657 0.0000 0.0000 52035.3032 -109368.6906 299.0476 -161403.9938 -109007.9236 299.0197 144.1393 173.8501 763216.3648 7.1995 7.2080 PRESSURE: 4749400 -236.748 -5.21238 219.538 -5.21217 -230.771 -197.901 219.537 -197.9 -172.663 GPRESSURE: 4749400 -188.05 -59.8078 223.569 60.573 -283.938 -143.472 158.311 -138.704 -102.824 PRESSAVG: 4749400 -5.75836 -19.5766 21.4193 -19.5766 -3.02544 -15.4261 21.4194 -15.4261 -8.84632 GPRESSAVG: 4749400 -6.02299 -19.3794 22.3397 -20.6067 -3.92554 -15.8601 22.5423 -13.1854 -7.58301 TIMING: 4749400 CPU: 14830.9, 0.00310371/step Wall: 14830.9, 0.00310371/step, 0.216052 hours remaining, 236.785156 MB of memory in use. ENERGY: 4749400 4014.7746 20493.1648 14380.4522 252.3570 -203075.7373 2875.8402 0.0000 0.0000 51870.3391 -109188.8094 298.0996 -161059.1484 -108827.4091 298.9731 -213.3943 -191.6040 764422.3970 -5.8767 -5.8438 PRESSURE: 4749600 112.472 -274.831 79.5957 -274.831 68.521 -39.8989 79.5953 -39.8987 -506.216 GPRESSURE: 4749600 118.711 -250.383 37.1555 -260.39 -10.9816 -18.3914 114.693 -102.138 -351.037 PRESSAVG: 4749600 26.8076 33.7699 60.3012 33.7699 -23.7568 -4.75939 60.3011 -4.75938 13.505 GPRESSAVG: 4749600 26.4574 33.4105 57.9607 33.9815 -23.1798 -5.57262 61.1218 -4.54319 12.8588 TIMING: 4749600 CPU: 14831.5, 0.00309449/step Wall: 14831.5, 0.00309449/step, 0.215239 hours remaining, 236.785156 MB of memory in use. ENERGY: 4749600 3982.1433 20532.5432 14484.2963 238.2364 -202877.2517 2549.5958 0.0000 0.0000 51902.6325 -109187.8042 298.2851 -161090.4367 -108832.3149 299.5158 -108.4078 -81.1024 763935.2037 5.5186 5.3788 PRESSURE: 4749800 -92.187 12.8093 103.199 12.809 -72.2416 86.4306 103.199 86.4302 432.631 GPRESSURE: 4749800 -68.4612 44.5774 152.239 -30.506 30.2292 23.395 168.805 7.03926 381.393 PRESSAVG: 4749800 -21.39 15.3724 45.6876 15.3724 11.0457 27.2611 45.6875 27.2611 -0.476527 GPRESSAVG: 4749800 -20.6082 15.4195 47.0613 15.4263 10.3758 28.3895 45.3706 25.1918 -0.106711 TIMING: 4749800 CPU: 14832.1, 0.00308183/step Wall: 14832.1, 0.00308183/step, 0.214187 hours remaining, 236.785156 MB of memory in use. ENERGY: 4749800 3977.5574 20528.7649 14415.8123 242.9834 -203423.6675 2889.4395 0.0000 0.0000 52262.1549 -109106.9551 300.3513 -161369.1099 -108743.9717 299.7058 89.4009 114.3869 762459.6298 -3.6070 -3.4464 PRESSURE: 4750000 373.245 -16.1179 -210.534 -16.1184 54.0912 28.1636 -210.534 28.1639 283.823 GPRESSURE: 4750000 463.689 -62.7507 -143.703 -42.9375 111.715 -31.1982 -284.945 85.3782 240.141 PRESSAVG: 4750000 -0.557195 -32.952 18.8186 -32.9521 44.5249 28.1114 18.8186 28.1113 13.1597 GPRESSAVG: 4750000 -0.356582 -33.844 18.5885 -31.7986 45.026 28.4924 18.2617 28.1418 12.426 TIMING: 4750000 CPU: 14832.7, 0.00308684/step Wall: 14832.7, 0.00308684/step, 0.214364 hours remaining, 236.785156 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: 4750000 3957.3559 20581.2833 14424.0314 243.6067 -203781.2946 3136.2588 0.0000 0.0000 52037.5213 -109401.2371 299.0604 -161438.7584 -109049.9697 299.5103 237.0530 271.8485 763180.4553 19.0425 19.0318 PRESSURE: 4750200 5.97772 -147.488 56.2671 -147.487 -172.725 156.492 56.2675 156.493 -273.802 GPRESSURE: 4750200 62.1937 -209.638 169.313 -149.663 -254.305 237.424 8.79341 173.065 -186.236 PRESSAVG: 4750200 45.1083 -36.9484 -17.2018 -36.9484 3.4986 2.28249 -17.2018 2.28248 0.737873 GPRESSAVG: 4750200 45.2429 -37.2846 -17.3523 -35.4264 2.44819 2.35806 -18.9556 2.93578 1.84863 TIMING: 4750200 CPU: 14833.3, 0.00309949/step Wall: 14833.3, 0.00309949/step, 0.21507 hours remaining, 236.785156 MB of memory in use. ENERGY: 4750200 3941.3567 20636.9551 14434.3285 219.5761 -203350.0432 2771.9297 0.0000 0.0000 52080.7307 -109265.1664 299.3087 -161345.8971 -108895.2211 299.3046 -146.8499 -126.1158 762111.0610 16.4483 16.5133 PRESSURE: 4750400 735.59 -164.667 133.753 -164.666 35.6521 -92.9882 133.754 -92.9882 831.779 GPRESSURE: 4750400 642.061 -64.3032 152.226 -37.0092 232.646 -153.686 22.2117 -58.0204 787.235 PRESSAVG: 4750400 42.526 -61.4054 -1.70219 -61.4055 -20.5583 17.4422 -1.70217 17.4423 11.4854 GPRESSAVG: 4750400 42.6254 -59.2893 -0.656555 -63.3812 -19.915 18.3808 0.831055 15.3859 11.1165 TIMING: 4750400 CPU: 14833.9, 0.00309236/step Wall: 14833.9, 0.00309236/step, 0.214404 hours remaining, 236.785156 MB of memory in use. ENERGY: 4750400 3946.5339 20586.2109 14500.0743 252.1251 -203657.5463 3076.6748 0.0000 0.0000 52079.3106 -109216.6165 299.3005 -161295.9271 -108848.0221 299.2800 534.3403 553.9804 762012.5584 11.1510 11.2756 PRESSURE: 4750600 -159.732 -166.503 -99.3739 -166.503 -200.756 -262.563 -99.3732 -262.563 -191.069 GPRESSURE: 4750600 -136.774 -156.096 -213.397 -188.409 -134.852 -319.306 -189.949 -158.927 -220.669 PRESSAVG: 4750600 28.0962 -12.9196 9.31769 -12.9196 -0.0665143 17.2182 9.31769 17.2183 -24.712 GPRESSAVG: 4750600 27.1911 -13.6879 7.79048 -12.672 1.07805 17.2576 9.4931 16.6871 -25.2925 TIMING: 4750600 CPU: 14834.6, 0.00309383/step Wall: 14834.6, 0.00309383/step, 0.214334 hours remaining, 236.785156 MB of memory in use. ENERGY: 4750600 4069.2512 20526.8102 14459.5304 231.9052 -203144.0461 2647.3437 0.0000 0.0000 51917.3556 -109291.8498 298.3698 -161209.2054 -108942.6569 299.3462 -183.8524 -164.0981 762468.0985 1.1059 0.9922 PRESSURE: 4750800 68.2287 -137.433 60.1597 -137.433 210.839 63.1498 60.1597 63.151 96.9252 GPRESSURE: 4750800 85.3671 -157.159 -5.55521 -140.19 257.317 72.1098 119.678 -1.05825 91.3926 PRESSAVG: 4750800 -7.92194 23.0144 39.2215 23.0145 0.0625286 1.0498 39.2215 1.04988 -10.6748 GPRESSAVG: 4750800 -7.13999 22.6269 38.437 22.4325 -0.373328 -0.236714 38.1645 4.16347 -10.4899 TIMING: 4750800 CPU: 14835.2, 0.00308486/step Wall: 14835.2, 0.00308486/step, 0.213541 hours remaining, 236.785156 MB of memory in use. ENERGY: 4750800 3898.9761 20414.7683 14469.0485 250.2989 -203503.6051 2848.8926 0.0000 0.0000 52150.8799 -109470.7409 299.7118 -161621.6208 -109104.7878 298.6111 125.3309 144.6921 763098.9555 -6.1781 -6.0011 PRESSURE: 4751000 57.8462 -88.7272 -209.727 -88.7272 71.0114 70.5215 -209.728 70.5216 -360.368 GPRESSURE: 4751000 134.944 -137.474 -175.999 -223.744 71.2072 100.357 -191.287 115 -351.185 PRESSAVG: 4751000 11.8986 -38.2745 52.6952 -38.2745 -14.5722 -20.2248 52.6953 -20.2248 -14.7883 GPRESSAVG: 4751000 10.9455 -40.1753 52.6581 -38.7319 -13.977 -20.7364 53.4028 -21.089 -15.0194 TIMING: 4751000 CPU: 14835.8, 0.00309721/step Wall: 14835.8, 0.00309721/step, 0.214224 hours remaining, 236.785156 MB of memory in use. ENERGY: 4751000 4059.5578 20507.3789 14489.1310 245.6066 -203059.4456 2601.0237 0.0000 0.0000 51718.5001 -109438.2473 297.2269 -161156.7475 -109076.9237 298.5188 -77.1702 -48.3446 763627.2628 -5.8206 -6.0170 PRESSURE: 4751200 159.835 -127.396 -67.2888 -127.396 19.7264 56.5362 -67.2882 56.5344 -2.48943 GPRESSURE: 4751200 214.127 -180.851 20.7058 -165.777 6.50327 105.492 -240.546 -52.0015 42.5631 PRESSAVG: 4751200 4.52925 -27.7969 9.58096 -27.7969 2.60177 -1.04487 9.58102 -1.04481 -10.8114 GPRESSAVG: 4751200 4.86894 -24.667 11.2836 -26.8604 1.87676 0.542948 10.1411 -2.26289 -10.3061 TIMING: 4751200 CPU: 14836.4, 0.00310785/step Wall: 14836.4, 0.00310785/step, 0.214787 hours remaining, 236.785156 MB of memory in use. ENERGY: 4751200 3963.1024 20321.7757 14427.1577 246.6403 -202759.0283 2592.8450 0.0000 0.0000 51973.8864 -109233.6208 298.6946 -161207.5072 -108880.2367 298.5712 59.0240 87.7310 763335.7012 -1.2268 -1.1868 PRESSURE: 4751400 -51.9289 26.2686 -50.837 26.269 36.0442 97.3469 -50.8369 97.3467 -65.9355 GPRESSURE: 4751400 -31.8929 37.9569 12.2585 39.8232 36.2552 58.0051 23.2046 -104.19 -2.13701 PRESSAVG: 4751400 -6.39373 -26.5135 -27.9283 -26.5135 -22.2493 42.1611 -27.9283 42.1611 5.17145 GPRESSAVG: 4751400 -5.53647 -27.8597 -30.0585 -26.0433 -22.1408 42.0897 -28.2587 42.9163 3.76324 TIMING: 4751400 CPU: 14837, 0.00311509/step Wall: 14837, 0.00311509/step, 0.215114 hours remaining, 236.785156 MB of memory in use. ENERGY: 4751400 3951.3161 20712.8019 14464.7546 235.6009 -203134.1891 2728.0140 0.0000 0.0000 51874.5213 -109167.1804 298.1236 -161041.7017 -108817.5878 298.7751 -27.2734 0.7418 764866.5432 -7.8239 -7.9714 PRESSURE: 4751600 -359.593 36.1327 65.5029 36.1325 -193.252 -101.66 65.5023 -101.66 -97.2682 GPRESSURE: 4751600 -290.413 31.6241 61.8127 40.9365 -219.373 -1.07129 -49.2034 -201.509 -88.0144 PRESSAVG: 4751600 60.2113 -26.9129 51.0502 -26.9129 -0.0659857 15.0045 51.0502 15.0046 2.78327 GPRESSAVG: 4751600 60.473 -27.3675 52.2316 -26.6195 -1.38984 14.7452 50.2397 13.4955 3.77952 TIMING: 4751600 CPU: 14837.7, 0.00311083/step Wall: 14837.7, 0.00311083/step, 0.214647 hours remaining, 236.785156 MB of memory in use. ENERGY: 4751600 3945.6178 20380.8900 14469.3083 257.9726 -202728.9240 2502.4844 0.0000 0.0000 51927.8774 -109244.7735 298.4302 -161172.6509 -108884.9409 299.3728 -216.7044 -199.2666 764905.1993 20.9762 20.9542 PRESSURE: 4751800 108.729 103.094 -50.7507 103.094 57.5279 -73.1663 -50.7507 -73.1677 -49.2148 GPRESSURE: 4751800 111.917 134.522 -68.3136 107.684 153.453 -131.814 -43.4488 -65.719 -83.4105 PRESSAVG: 4751800 53.3467 4.69515 37.5863 4.69517 -53.4227 29.4427 37.5863 29.4427 -1.98625 GPRESSAVG: 4751800 51.5964 4.85418 38.5314 3.91798 -51.2768 27.7585 38.1618 32.2775 -2.4542 TIMING: 4751800 CPU: 14838.3, 0.00308671/step Wall: 14838.3, 0.00308671/step, 0.212812 hours remaining, 236.785156 MB of memory in use. ENERGY: 4751800 3919.1999 20485.2711 14395.1793 261.5871 -202614.0871 2562.2448 0.0000 0.0000 52022.3920 -108968.2128 298.9734 -160990.6049 -108610.7338 299.0606 39.0141 60.6530 765030.9921 -0.6874 -0.7115 PRESSURE: 4752000 -279.04 -110.331 -19.6024 -110.332 -247.313 51.0346 -19.6027 51.0345 -387.526 GPRESSURE: 4752000 -219.087 -58.7101 64.7494 -201.513 -199.409 105.973 36.2729 62.9543 -412.541 PRESSAVG: 4752000 -5.33061 -59.4794 35.826 -59.4793 -28.9454 10.8441 35.826 10.8441 -4.19943 GPRESSAVG: 4752000 -4.58357 -58.1313 34.9956 -60.4613 -30.142 12.9079 37.9422 12.183 -4.0689 TIMING: 4752000 CPU: 14838.9, 0.0031017/step Wall: 14838.9, 0.00310171/step, 0.213673 hours remaining, 236.785156 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: 4752000 4021.1023 20432.5465 14447.2850 239.3233 -202561.4861 2416.4808 0.0000 0.0000 52263.3364 -108741.4119 300.3581 -161004.7483 -108383.6600 299.4913 -304.6261 -277.0123 763927.9829 -12.8251 -12.9315 PRESSURE: 4752200 -191.88 -112.409 36.1665 -112.409 -265.376 -90.0906 36.1667 -90.0905 -107.47 GPRESSURE: 4752200 -107.96 -15.0359 62.1725 -264.649 -286.316 -66.4551 -42.6479 -127.018 -84.917 PRESSAVG: 4752200 29.232 -37.6799 -2.58264 -37.6798 -59.8786 9.71131 -2.5827 9.71125 4.69482 GPRESSAVG: 4752200 29.5851 -38.0441 -2.89876 -38.5931 -59.8717 9.66658 -4.4918 6.86895 4.19013 TIMING: 4752200 CPU: 14839.5, 0.00311716/step Wall: 14839.5, 0.00311716/step, 0.214564 hours remaining, 236.785156 MB of memory in use. ENERGY: 4752200 4073.4683 20391.3972 14494.9913 248.1926 -202804.9124 2547.3587 0.0000 0.0000 52308.0062 -108741.4980 300.6148 -161049.5042 -108370.3430 300.2285 -188.2418 -159.7311 762829.8693 -8.6506 -8.6988 LDB: ============= START OF LOAD BALANCING ============== 14852 LDB: ============== END OF LOAD BALANCING =============== 14852 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14852 LDB: ============= START OF LOAD BALANCING ============== 14852.3 LDB: Largest compute 7076 load 0.030264 is 15.5% of average load 0.195263 LDB: Average compute 0.004409 is 2.3% of average load 0.195263 LDB: TIME 14852.3 LOAD: AVG 0.195263 MAX 0.215978 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.75 MB LDB: TIME 14852.3 LOAD: AVG 0.195263 MAX 0.215978 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.75 MB LDB: TIME 14852.3 LOAD: AVG 0.195263 MAX 0.215978 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.75 MB LDB: ============== END OF LOAD BALANCING =============== 14852.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14852.3 PRESSURE: 4752400 -39.4085 -298.867 96.1815 -298.867 16.3306 -17.3554 96.181 -17.3558 100.649 GPRESSURE: 4752400 -8.08827 -200.243 14.3248 -307.937 80.9383 -88.8282 76.7238 -77.2524 109.671 PRESSAVG: 4752400 4.11029 6.6003 12.5229 6.60025 -41.1259 1.58488 12.5229 1.5849 -25.9998 GPRESSAVG: 4752400 4.27611 6.43558 11.4121 7.42924 -40.9965 1.68992 11.1911 1.8475 -25.6421 TIMING: 4752400 CPU: 14840.2, 0.00315542/step Wall: 14840.2, 0.00315542/step, 0.217023 hours remaining, 234.644531 MB of memory in use. ENERGY: 4752400 3996.2848 20494.6062 14406.8656 246.2173 -203072.6279 2817.2147 0.0000 0.0000 52329.5847 -108781.8547 300.7388 -161111.4394 -108420.0148 300.2716 25.8571 60.8402 763613.4710 -21.0051 -20.7875 PRESSURE: 4752600 189.134 -0.0729456 115.785 -0.0730457 -352.027 190.531 115.786 190.532 215.287 GPRESSURE: 4752600 98.9463 -94.2185 190.025 9.64811 -186.527 138.702 105 233.805 226.051 PRESSAVG: 4752600 85.229 -30.9525 4.47839 -30.9525 -57.0172 25.3148 4.47838 25.3149 23.388 GPRESSAVG: 4752600 86.2486 -34.2281 5.14509 -29.1148 -58.449 24.3206 4.49917 24.8139 23.7124 TIMING: 4752600 CPU: 14840.8, 0.00309267/step Wall: 14840.8, 0.00309267/step, 0.212535 hours remaining, 234.644531 MB of memory in use. ENERGY: 4752600 3961.2496 20666.6909 14439.1423 257.5194 -202748.6730 2447.2439 0.0000 0.0000 52049.6471 -108927.1797 299.1300 -160976.8269 -108562.7353 299.6647 17.4650 46.1570 764120.1738 17.1999 17.1707 PRESSURE: 4752800 -8.72285 -4.06987 -71.6346 -4.07014 -23.9805 -130.941 -71.6346 -130.942 118.967 GPRESSURE: 4752800 1.49465 -6.03304 -164.4 30.5451 46.5168 -120.601 -28.566 -87.2267 120.502 PRESSAVG: 4752800 37.9778 -20.9548 -13.2556 -20.9548 13.9829 -32.762 -13.2556 -32.7619 3.95134 GPRESSAVG: 4752800 36.978 -19.0139 -14.0499 -23.3894 15.0835 -31.3811 -8.89376 -33.2465 3.90873 TIMING: 4752800 CPU: 14841.4, 0.00309271/step Wall: 14841.4, 0.00309271/step, 0.212366 hours remaining, 234.644531 MB of memory in use. ENERGY: 4752800 4002.3498 20315.5267 14425.1473 244.2413 -202779.1834 2695.9199 0.0000 0.0000 52168.2117 -108927.7866 299.8114 -161095.9983 -108568.1199 299.1545 28.7544 56.1710 763795.2832 18.6373 18.6567 PRESSURE: 4753000 -86.8345 -25.9484 -23.1922 -25.9487 239.305 -191.259 -23.192 -191.258 -474.963 GPRESSURE: 4753000 -69.7708 -37.8886 85.5926 -135.618 225.285 -199.576 29.6095 -50.4525 -392.761 PRESSAVG: 4753000 -22.0262 -24.1049 -8.78601 -24.1049 36.6735 -27.2931 -8.78602 -27.2932 4.8413 GPRESSAVG: 4753000 -21.878 -24.7895 -7.58068 -23.7844 37.2658 -29.3377 -10.0423 -26.4325 3.69851 TIMING: 4753000 CPU: 14842, 0.00308618/step Wall: 14842, 0.00308618/step, 0.211746 hours remaining, 234.714844 MB of memory in use. ENERGY: 4753000 3919.1687 20471.8160 14367.8649 231.7437 -202667.5145 2679.6000 0.0000 0.0000 51928.1733 -109069.1480 298.4319 -160997.3213 -108717.2686 298.7867 -107.4974 -79.0822 765826.6523 6.4962 6.3621 PRESSURE: 4753200 -206.708 6.63759 103.934 6.63838 -32.5198 334.748 103.935 334.747 341.737 GPRESSURE: 4753200 -208.345 70.5978 76.5661 46.634 -16.9565 310.858 47.4427 218.815 403.871 PRESSAVG: 4753200 -21.7466 14.3087 24.3215 14.3087 -1.61735 28.8584 24.3216 28.8585 16.3159 GPRESSAVG: 4753200 -21.7428 14.6633 23.5728 14.9681 -2.11908 30.2187 24.4279 30.3093 16.5174 TIMING: 4753200 CPU: 14842.6, 0.00308888/step Wall: 14842.6, 0.00308888/step, 0.21176 hours remaining, 234.714844 MB of memory in use. ENERGY: 4753200 3961.9268 20502.3526 14438.8135 260.6744 -202533.6044 2225.9482 0.0000 0.0000 52116.9286 -109026.9604 299.5167 -161143.8889 -108666.9816 299.0985 34.1697 59.5230 761471.1957 -2.3493 -2.4482 PRESSURE: 4753400 -135.687 -16.0404 192.227 -16.0399 67.2747 88.0822 192.227 88.0825 368.486 GPRESSURE: 4753400 -68.7936 -92.2925 267.897 -16.8399 158.005 76.4013 150.453 223.555 302.12 PRESSAVG: 4753400 42.9572 -36.2072 48.9974 -36.2073 -17.6875 50.5432 48.9973 50.5431 -14.0532 GPRESSAVG: 4753400 42.003 -35.196 51.3638 -37.8537 -17.334 49.7222 47.2562 50.6742 -13.6725 TIMING: 4753400 CPU: 14843.2, 0.0030809/step Wall: 14843.2, 0.0030809/step, 0.211042 hours remaining, 234.714844 MB of memory in use. ENERGY: 4753400 4030.6943 20429.7182 14348.0394 252.7609 -202808.1411 2694.5548 0.0000 0.0000 51965.8574 -109086.5161 298.6485 -161052.3735 -108726.9087 299.2002 100.0244 130.4437 763647.9207 3.7388 3.6655 PRESSURE: 4753600 -218.792 -377.504 -77.5579 -377.506 -58.2127 131.849 -77.5576 131.848 207.273 GPRESSURE: 4753600 -171.923 -293.552 -59.9603 -320.11 -39.2941 205.31 -237.117 34.2036 217.982 PRESSAVG: 4753600 35.3724 -56.2406 35.9087 -56.2407 -57.8581 8.18128 35.9087 8.18132 -14.1364 GPRESSAVG: 4753600 35.9529 -54.3283 34.2777 -54.4258 -58.1372 10.81 35.3871 6.16764 -14.4359 TIMING: 4753600 CPU: 14843.9, 0.003095/step Wall: 14843.9, 0.003095/step, 0.211836 hours remaining, 234.714844 MB of memory in use. ENERGY: 4753600 3937.9305 20401.7954 14375.4601 231.0828 -203090.5529 2692.8478 0.0000 0.0000 52459.6003 -108991.8359 301.4860 -161451.4362 -108618.5624 299.6811 -23.2438 2.2551 763768.4210 -12.2074 -12.2067 PRESSURE: 4753800 -128.955 -136.64 39.9065 -136.64 443.261 -19.277 39.9067 -19.2771 -157.692 GPRESSURE: 4753800 18.8438 -25.5317 -89.1553 -106.031 411.874 0.792637 87.5235 -127.074 -170.134 PRESSAVG: 4753800 32.8176 -68.0299 56.4732 -68.0299 -44.676 36.9233 56.4732 36.9234 42.6335 GPRESSAVG: 4753800 33.4885 -70.5155 54.8735 -68.318 -45.396 34.3738 56.9119 37.9674 43.0213 TIMING: 4753800 CPU: 14844.5, 0.00308826/step Wall: 14844.5, 0.00308826/step, 0.211203 hours remaining, 234.714844 MB of memory in use. ENERGY: 4753800 3902.0499 20390.4180 14397.2645 253.3260 -203052.8737 2729.0555 0.0000 0.0000 52170.3368 -109210.4230 299.8236 -161380.7598 -108841.5107 299.2368 52.2045 86.8610 762969.0619 10.2584 10.3713 PRESSURE: 4754000 -3.02889 51.2787 86.9337 51.2793 -47.7393 -53.3581 86.9332 -53.358 328.451 GPRESSURE: 4754000 59.3021 -19.8781 162.671 -13.297 70.7325 -54.2289 20.0814 -57.4831 236.44 PRESSAVG: 4754000 27.1965 -28.726 -6.85924 -28.726 -23.8277 21.6857 -6.85921 21.6856 17.2307 GPRESSAVG: 4754000 26.2655 -27.9655 -4.54359 -28.19 -22.9237 21.3937 -6.1155 24.051 16.901 TIMING: 4754000 CPU: 14845.1, 0.00309709/step Wall: 14845.1, 0.00309709/step, 0.211634 hours remaining, 234.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4754000 3851.1641 20409.3496 14421.2855 241.7016 -203400.5899 2912.3297 0.0000 0.0000 52315.6867 -109249.0727 300.6590 -161564.7595 -108881.5498 299.3007 92.5608 122.1583 762421.1988 6.8665 6.7476 PRESSURE: 4754200 -138.136 13.5843 190.334 13.5844 -266.951 -174.569 190.333 -174.569 -167.156 GPRESSURE: 4754200 -47.8626 21.0799 143.773 112.306 -298.946 -269.124 181.783 -91.2846 -153.96 PRESSAVG: 4754200 28.9916 -6.16419 55.8134 -6.16419 -32.0753 -23.1848 55.8134 -23.1846 -11.6099 GPRESSAVG: 4754200 30.6926 -5.02704 54.9599 -5.55738 -33.2235 -22.2906 56.4477 -25.6855 -12.1984 TIMING: 4754200 CPU: 14845.7, 0.00307913/step Wall: 14845.7, 0.00307913/step, 0.210236 hours remaining, 234.917969 MB of memory in use. ENERGY: 4754200 3977.2463 20400.0767 14416.3016 253.0862 -203321.0768 2751.7294 0.0000 0.0000 52177.0796 -109345.5571 299.8624 -161522.6367 -108982.5563 299.3525 -190.7478 -166.9227 762825.3566 -4.8979 -4.9098 PRESSURE: 4754400 -74.8708 163.885 -94.9424 163.884 -78.023 216.689 -94.9425 216.689 165.216 GPRESSURE: 4754400 -36.4875 135.166 -127.764 180.529 -88.0948 238.917 -152.389 240.561 219.12 PRESSAVG: 4754400 -17.6165 -5.9789 -22.1069 -5.9789 -0.265681 34.7455 -22.1069 34.7456 -8.73638 GPRESSAVG: 4754400 -17.5406 -5.8294 -22.5873 -8.11217 -1.39191 37.2762 -23.736 34.1181 -7.55606 TIMING: 4754400 CPU: 14846.3, 0.00308383/step Wall: 14846.3, 0.00308383/step, 0.210386 hours remaining, 234.917969 MB of memory in use. ENERGY: 4754400 4038.5777 20469.3101 14438.5711 278.3525 -203614.4201 2878.3896 0.0000 0.0000 52205.2749 -109305.9442 300.0244 -161511.2191 -108944.7224 299.3763 4.1074 31.5125 762449.0658 -8.8729 -8.8295 PRESSURE: 4754600 -102.736 131.092 74.0572 131.092 -142.457 44.5864 74.0577 44.5859 -184.154 GPRESSURE: 4754600 -69.6549 153.791 92.0066 67.9412 -121.956 8.23366 5.81998 227.165 -145.848 PRESSAVG: 4754600 20.7183 2.64327 -11.8144 2.64329 -47.947 11.1271 -11.8143 11.127 8.22169 GPRESSAVG: 4754600 19.9195 1.1646 -10.4766 4.34085 -46.1791 8.10282 -12.7241 13.9045 7.25331 TIMING: 4754600 CPU: 14847, 0.00309461/step Wall: 14847, 0.00309461/step, 0.210949 hours remaining, 234.917969 MB of memory in use. ENERGY: 4754600 3973.4788 20607.6569 14430.1432 267.1372 -203204.3352 2545.1741 0.0000 0.0000 52191.8585 -109188.8866 299.9473 -161380.7450 -108829.7184 299.8250 -143.1155 -112.4865 763671.4868 -6.3357 -6.3354 PRESSURE: 4754800 -220.836 -259.115 -14.6221 -259.114 -214.183 132.142 -14.6219 132.143 81.8785 GPRESSURE: 4754800 -129.966 -111.681 2.21476 -225.912 -127.262 112.429 -131.872 70.0112 -15.0107 PRESSAVG: 4754800 38.676 -30.9789 -18.0498 -30.9789 -32.1231 -28.7513 -18.0499 -28.7514 24.588 GPRESSAVG: 4754800 38.9631 -28.7898 -19.7723 -30.8031 -31.4607 -26.9172 -16.4269 -32.1966 24.0951 TIMING: 4754800 CPU: 14847.6, 0.00309881/step Wall: 14847.6, 0.00309881/step, 0.211063 hours remaining, 234.917969 MB of memory in use. ENERGY: 4754800 4025.4755 20566.4214 14440.1307 257.1730 -203123.9515 2691.1912 0.0000 0.0000 51805.4904 -109338.0692 297.7269 -161143.5596 -108976.5813 299.3792 -117.7133 -90.7460 764255.4990 10.3803 10.5325 PRESSURE: 4755000 -106.593 -2.89846 61.6932 -2.89814 -202.644 -72.1201 61.6926 -72.1202 -373.647 GPRESSURE: 4755000 -83.5369 33.9881 26.2287 -10.6337 -199.812 -86.0032 213.627 -90.7623 -334.323 PRESSAVG: 4755000 17.449 -6.51566 -17.1853 -6.51562 -5.88402 31.7891 -17.1852 31.7891 -4.64559 GPRESSAVG: 4755000 18.5153 -8.31742 -17.3826 -7.72303 -7.19572 29.2866 -16.4676 33.3564 -4.32693 TIMING: 4755000 CPU: 14848.2, 0.00310575/step Wall: 14848.2, 0.00310575/step, 0.211364 hours remaining, 234.917969 MB of memory in use. ENERGY: 4755000 4067.4022 20585.8424 14454.7751 237.2710 -203484.1172 2705.3605 0.0000 0.0000 52129.1199 -109304.3461 299.5868 -161433.4661 -108945.7441 299.3820 -227.6279 -205.8908 764439.1857 2.3065 2.3309 PRESSURE: 4755200 -214.195 -9.26498 122.599 -9.26534 -190.378 -154.136 122.599 -154.135 133.395 GPRESSURE: 4755200 -200.081 -10.2913 54.2615 53.8602 -111.295 -94.8471 37.3865 -106.372 116.449 PRESSAVG: 4755200 38.8485 27.7573 -16.6223 27.7572 -82.0983 34.5853 -16.6224 34.5854 17.4269 GPRESSAVG: 4755200 39.127 26.5121 -16.7335 29.3799 -82.221 35.0438 -16.6772 35.5781 17.7375 TIMING: 4755200 CPU: 14848.8, 0.00310513/step Wall: 14848.8, 0.00310513/step, 0.211149 hours remaining, 234.917969 MB of memory in use. ENERGY: 4755200 3970.0005 20503.4733 14464.2500 277.4624 -203293.7807 2731.2548 0.0000 0.0000 52138.3265 -109209.0132 299.6397 -161347.3397 -108852.2751 299.5574 -90.3928 -64.9758 763740.8873 -8.6076 -8.4521 PRESSURE: 4755400 55.4658 -56.4073 1.96874 -56.4069 -178.437 119.276 1.96905 119.277 -26.2519 GPRESSURE: 4755400 47.6903 -7.49866 -113.307 40.0879 -146.956 144.719 -53.9504 44.9525 11.8712 PRESSAVG: 4755400 34.9665 37.8164 -43.4334 37.8163 -34.8045 19.3292 -43.4334 19.3292 23.7735 GPRESSAVG: 4755400 34.8611 36.3094 -43.8121 38.2196 -34.433 18.8049 -45.3444 18.141 23.6748 TIMING: 4755400 CPU: 14849.4, 0.00312069/step Wall: 14849.4, 0.00312069/step, 0.212034 hours remaining, 234.917969 MB of memory in use. ENERGY: 4755400 4010.0623 20586.8893 14396.3144 259.1939 -203192.3171 2783.8787 0.0000 0.0000 52084.4582 -109071.5203 299.3301 -161155.9785 -108717.7507 299.8510 -49.7410 -29.1315 763782.6205 7.9785 8.0343 PRESSURE: 4755600 -441.702 49.2253 -92.4747 49.2249 -27.0422 -234.304 -92.4754 -234.303 176.735 GPRESSURE: 4755600 -300.118 -112.126 -80.5825 12.144 -59.7418 -207.315 -170.999 -102.421 115.965 PRESSAVG: 4755600 2.36796 -50.6471 -61.4593 -50.6471 -59.753 46.7944 -61.4593 46.7944 5.55743 GPRESSAVG: 4755600 1.83383 -51.0213 -59.7836 -52.1272 -59.3029 47.3316 -61.3339 46.4956 5.25282 TIMING: 4755600 CPU: 14850.1, 0.0031103/step Wall: 14850.1, 0.0031103/step, 0.211155 hours remaining, 234.917969 MB of memory in use. ENERGY: 4755600 4043.3427 20695.6451 14435.9082 258.6555 -203348.7129 2649.1027 0.0000 0.0000 52068.6178 -109197.4409 299.2391 -161266.0587 -108832.8713 299.5834 -97.3363 -81.2984 763092.2111 -17.2759 -17.4054 PRESSURE: 4755800 -203.836 -112.716 -2.89933 -112.716 -62.1977 -80.6975 -2.89932 -80.6987 -188.046 GPRESSURE: 4755800 -188.721 0.0403158 -73.2968 -100.5 -10.2608 -76.9385 44.0306 24.6595 -183.469 PRESSAVG: 4755800 9.84162 2.79963 -36.1322 2.79968 -10.8678 5.82141 -36.1322 5.82152 -2.8556 GPRESSAVG: 4755800 8.01568 5.11676 -36.9306 2.23058 -10.6725 6.48752 -34.3785 7.09319 -1.52919 TIMING: 4755800 CPU: 14850.7, 0.00310784/step Wall: 14850.7, 0.00310784/step, 0.210815 hours remaining, 234.917969 MB of memory in use. ENERGY: 4755800 4071.6117 20577.9511 14438.1992 250.5252 -203422.0621 2489.5800 0.0000 0.0000 52482.5560 -109111.6389 301.6180 -161594.1949 -108744.2137 300.1344 -151.3600 -127.4838 762371.1315 -1.2939 -1.3953 PRESSURE: 4756000 154.503 -33.8067 -267.1 -33.8061 -320.574 48.5126 -267.099 48.5114 -228.296 GPRESSURE: 4756000 153.697 34.7616 -243.602 15.4926 -255.884 47.6193 -231.319 55.4849 -206.464 PRESSAVG: 4756000 -24.9788 5.61981 10.5711 5.61981 50.5126 17.3356 10.5711 17.3356 11.0511 GPRESSAVG: 4756000 -23.661 6.21662 10.6673 7.73367 49.7694 16.9973 11.0981 16.8916 10.7058 TIMING: 4756000 CPU: 14851.3, 0.00311472/step Wall: 14851.3, 0.00311472/step, 0.211109 hours remaining, 234.917969 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: 4756000 3894.4219 20438.5500 14426.1245 237.2623 -203534.9599 3090.8400 0.0000 0.0000 52325.9362 -109121.8251 300.7179 -161447.7612 -108754.1821 300.2014 -131.4556 -102.8835 762228.5808 12.1950 12.2714 PRESSURE: 4756200 161.497 -60.9858 78.3457 -60.9854 201.649 -191.402 78.3458 -191.401 -49.0718 GPRESSURE: 4756200 177.661 -23.7851 9.67206 4.71331 230.876 -169.71 121.448 -135.231 -16.4776 PRESSAVG: 4756200 19.2057 -65.6248 -4.57761 -65.6248 7.34671 -4.20551 -4.57759 -4.2055 7.5022 GPRESSAVG: 4756200 18.5194 -66.0037 -6.08797 -65.0713 8.26165 -2.46374 -4.67428 -3.65915 7.543 TIMING: 4756200 CPU: 14851.9, 0.00311152/step Wall: 14851.9, 0.00311152/step, 0.210719 hours remaining, 234.917969 MB of memory in use. ENERGY: 4756200 4050.2630 20649.5625 14480.4846 257.1742 -202841.3488 2528.1339 0.0000 0.0000 52105.7251 -108770.0055 299.4523 -160875.7306 -108405.7979 300.2584 104.6914 130.6862 761057.2571 11.3515 11.4413 LDB: ============= START OF LOAD BALANCING ============== 14864.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14864.4 LDB: =============== DONE WITH MIGRATION ================ 14864.4 LDB: ============= START OF LOAD BALANCING ============== 14864.7 LDB: Largest compute 7030 load 0.030638 is 15.7% of average load 0.195375 LDB: Average compute 0.004375 is 2.2% of average load 0.195375 LDB: TIME 14864.7 LOAD: AVG 0.195375 MAX 0.21373 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.359 MB LDB: TIME 14864.7 LOAD: AVG 0.195375 MAX 0.21373 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.562 MB LDB: TIME 14864.7 LOAD: AVG 0.195375 MAX 0.21373 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.562 MB LDB: ============== END OF LOAD BALANCING =============== 14864.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14864.7 PRESSURE: 4756400 -110.701 -60.6545 72.3069 -60.6541 22.6582 -179.576 72.3075 -179.578 77.0787 GPRESSURE: 4756400 -175.8 -124.724 102.887 -17.829 112.269 -185.095 35.0705 -148.751 113.082 PRESSAVG: 4756400 -9.24421 -11.4795 -83.4966 -11.4795 3.37846 -3.23961 -83.4966 -3.23959 2.38305 GPRESSAVG: 4756400 -8.00863 -10.3722 -80.8384 -12.1396 2.18373 -5.14954 -86.561 -3.29013 2.31766 TIMING: 4756400 CPU: 14852.6, 0.00317022/step Wall: 14852.6, 0.00317022/step, 0.214518 hours remaining, 235.031250 MB of memory in use. ENERGY: 4756400 4031.7713 20690.2438 14416.4562 250.1185 -202994.6735 2586.7764 0.0000 0.0000 52237.5983 -108781.7091 300.2102 -161019.3074 -108421.1221 300.7255 -3.6546 16.5170 762543.7395 -1.1609 -1.1691 PRESSURE: 4756600 118.742 145.445 -7.38715 145.445 -153.701 29.5976 -7.38688 29.5968 213.983 GPRESSURE: 4756600 217.297 107.697 29.0848 -15.888 -124.042 -36.9269 -34.0659 -1.27643 179.506 PRESSAVG: 4756600 14.7782 -37.5367 -27.624 -37.5367 -13.5079 -30.1958 -27.624 -30.1958 -16.9148 GPRESSAVG: 4756600 15.36 -38.3874 -28.4798 -37.2915 -12.9529 -28.8165 -26.4394 -32.7833 -17.5172 TIMING: 4756600 CPU: 14853.2, 0.00308607/step Wall: 14853.2, 0.00308607/step, 0.208653 hours remaining, 235.234375 MB of memory in use. ENERGY: 4756600 3993.9351 20657.1507 14435.2246 257.8749 -203407.7799 2777.7388 0.0000 0.0000 52253.9017 -109031.9542 300.3039 -161285.8559 -108672.8954 300.3164 59.6746 90.9204 762342.6225 -5.2148 -5.0367 PRESSURE: 4756800 -304.773 12.9386 103.376 12.9383 80.5807 67.5582 103.376 67.559 325.857 GPRESSURE: 4756800 -259.298 8.1026 96.2263 -6.79915 59.315 120.256 89.0756 -98.8455 377.35 PRESSAVG: 4756800 50.8268 -40.7116 -13.0248 -40.7116 -20.1951 -20.4663 -13.0248 -20.4663 12.6996 GPRESSAVG: 4756800 50.8496 -43.3321 -14.1143 -41.2722 -20.3328 -21.9454 -12.2279 -17.8671 12.7492 TIMING: 4756800 CPU: 14853.8, 0.00308522/step Wall: 14853.8, 0.00308522/step, 0.208424 hours remaining, 235.234375 MB of memory in use. ENERGY: 4756800 3954.4043 20579.9018 14478.1126 247.5100 -202944.6016 2520.4930 0.0000 0.0000 52027.3066 -109136.8733 299.0016 -161164.1799 -108768.8647 300.3021 33.8883 59.1221 763187.9270 14.4438 14.4220 PRESSURE: 4757000 22.5551 -288.573 -28.2613 -288.573 -149.283 15.7485 -28.2611 15.7472 36.5189 GPRESSURE: 4757000 -15.9031 -273.084 -13.7261 -165.162 -11.0951 54.9377 -108.162 76.8605 26.0769 PRESSAVG: 4757000 -38.6377 -44.8598 13.2416 -44.8599 7.51146 -11.6045 13.2416 -11.6045 8.32025 GPRESSAVG: 4757000 -39.673 -42.2057 14.848 -45.0603 7.26928 -10.1574 12.8413 -12.011 9.17724 TIMING: 4757000 CPU: 14854.4, 0.00309241/step Wall: 14854.4, 0.00309241/step, 0.208738 hours remaining, 235.234375 MB of memory in use. ENERGY: 4757000 4037.7333 20622.4877 14438.6375 247.8441 -203501.6926 2733.6528 0.0000 0.0000 52187.1312 -109234.2061 299.9202 -161421.3373 -108873.9249 299.5132 -30.0698 -0.3071 762112.1528 -7.6020 -7.7422 PRESSURE: 4757200 126.36 125.964 154.158 125.963 308.561 -1.68444 154.158 -1.68337 224.244 GPRESSURE: 4757200 152.543 103.816 90.1214 -10.3515 361.108 -40.564 39.3423 81.6007 197.037 PRESSAVG: 4757200 1.96212 -9.49408 -36.7573 -9.49404 -11.9551 33.8505 -36.7572 33.8506 -14.5316 GPRESSAVG: 4757200 2.23577 -10.83 -36.2349 -8.55273 -10.9635 33.6331 -37.9086 33.8102 -15.6797 TIMING: 4757200 CPU: 14855, 0.00308814/step Wall: 14855, 0.00308814/step, 0.208278 hours remaining, 235.433594 MB of memory in use. ENERGY: 4757200 4033.0767 20553.8274 14519.6395 238.8267 -203913.3389 3153.5540 0.0000 0.0000 52186.1708 -109228.2437 299.9146 -161414.4145 -108864.9837 299.9018 219.7216 236.8960 762676.4549 -8.1749 -8.1358 PRESSURE: 4757400 509.879 46.8257 -121.668 46.8261 16.2047 173.15 -121.667 173.151 -31.6395 GPRESSURE: 4757400 498.324 -44.4781 -146.686 124.4 16.3775 121.092 -106.406 88.5653 61.8893 PRESSAVG: 4757400 -5.04507 -37.71 -17.8782 -37.71 20.4137 -17.0491 -17.8781 -17.0492 -11.345 GPRESSAVG: 4757400 -4.38111 -37.3603 -18.538 -38.8155 19.5334 -18.5109 -15.9082 -17.0206 -11.358 TIMING: 4757400 CPU: 14855.7, 0.00311766/step Wall: 14855.7, 0.00311766/step, 0.210096 hours remaining, 235.433594 MB of memory in use. ENERGY: 4757400 4066.8113 20596.8506 14408.8750 257.8709 -203902.2568 3007.6808 0.0000 0.0000 52345.8634 -109218.3047 300.8324 -161564.1681 -108861.1246 299.9025 164.8146 192.1971 762382.6465 1.3412 1.2648 PRESSURE: 4757600 -201.251 -55.1152 -21.8842 -55.1157 -92.4397 -32.2235 -21.8848 -32.2236 -126.96 GPRESSURE: 4757600 -126.238 -58.0183 -66.6213 100.288 -81.5241 86.7929 -102.594 -60.9757 -125.852 PRESSAVG: 4757600 11.8364 0.114614 -50.8562 0.114569 -1.49221 25.7767 -50.8562 25.7767 7.25568 GPRESSAVG: 4757600 10.9249 2.886 -51.9388 -0.808484 -0.339711 25.5725 -51.9422 25.5713 7.31932 TIMING: 4757600 CPU: 14856.3, 0.0031235/step Wall: 14856.3, 0.0031235/step, 0.210316 hours remaining, 235.433594 MB of memory in use. ENERGY: 4757600 4012.0790 20567.6401 14486.6953 246.3873 -202954.4015 2450.9156 0.0000 0.0000 52077.7060 -109112.9782 299.2913 -161190.6842 -108750.3501 300.0495 -140.2167 -111.2049 762979.2560 5.8666 5.9682 PRESSURE: 4757800 176.714 89.7147 125.968 89.7143 23.7249 192.068 125.968 192.069 27.9672 GPRESSURE: 4757800 158.633 148.833 6.2734 178.624 134.311 262.669 134.82 282.99 4.34457 PRESSAVG: 4757800 -5.96991 -38.8054 -61.8714 -38.8054 7.37841 -42.137 -61.8715 -42.1369 -1.17989 GPRESSAVG: 4757800 -5.96738 -38.9543 -61.7051 -38.5297 7.3111 -41.9535 -61.6066 -40.9685 -0.84589 TIMING: 4757800 CPU: 14856.9, 0.00310552/step Wall: 14856.9, 0.00310552/step, 0.208933 hours remaining, 235.433594 MB of memory in use. ENERGY: 4757800 4028.5937 20584.5198 14475.6170 256.9367 -203309.9342 3022.4711 0.0000 0.0000 51984.7528 -108957.0431 298.7571 -160941.7959 -108593.8878 299.8403 76.1352 99.0959 763001.2492 0.0762 0.1659 PRESSURE: 4758000 69.7021 -128.542 71.4421 -128.542 243.147 -142.23 71.4417 -142.23 -388.791 GPRESSURE: 4758000 162.347 -42.69 98.6426 5.41106 265.719 -163.258 91.1102 -212.959 -420.771 PRESSAVG: 4758000 5.77071 -38.0852 -15.949 -38.0851 -28.6607 34.1017 -15.9491 34.1017 -14.2128 GPRESSAVG: 4758000 5.91133 -40.0042 -14.5427 -36.9184 -28.2968 35.7532 -16.7387 32.6424 -14.3116 TIMING: 4758000 CPU: 14857.5, 0.00310563/step Wall: 14857.5, 0.00310563/step, 0.208767 hours remaining, 235.433594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4758000 3955.9250 20804.5153 14404.9606 250.5419 -203466.6876 2817.5564 0.0000 0.0000 52137.1599 -109096.0285 299.6330 -161233.1884 -108741.5869 300.0970 -25.3140 2.4314 761986.9456 -12.3676 -12.2324 PRESSURE: 4758200 -173.035 206.167 -134.404 206.167 -256.164 -0.859478 -134.404 -0.859333 -215.859 GPRESSURE: 4758200 -120.869 150.774 -127.261 125.861 -214.411 -40.7054 -195.302 47.4437 -203.291 PRESSAVG: 4758200 -40.7392 -36.5973 25.7488 -36.5974 27.1039 -8.29812 25.7488 -8.29814 9.35902 GPRESSAVG: 4758200 -42.3145 -34.4933 25.6233 -36.2763 28.0296 -9.25633 25.2907 -8.51339 9.87725 TIMING: 4758200 CPU: 14858.1, 0.00311553/step Wall: 14858.1, 0.00311553/step, 0.20926 hours remaining, 235.433594 MB of memory in use. ENERGY: 4758200 3971.0717 20687.7829 14449.3058 262.5856 -203049.6105 2528.3181 0.0000 0.0000 51828.9139 -109321.6324 297.8615 -161150.5463 -108967.6835 299.4089 -215.0193 -179.5236 764148.6765 -1.4254 -1.4692 PRESSURE: 4758400 252.766 104.292 6.92123 104.292 -163.896 -12.7456 6.92098 -12.7461 -58.3532 GPRESSURE: 4758400 279.495 36.7976 -12.9124 47.2743 -182.457 -32.317 165.508 -121.1 -11.8193 PRESSAVG: 4758400 -8.09835 -29.2824 -9.95726 -29.2825 16.2559 21.7244 -9.95724 21.7243 -5.46785 GPRESSAVG: 4758400 -6.80378 -30.6596 -11.5312 -30.0345 15.0468 22.4375 -8.01247 22.1358 -5.93959 TIMING: 4758400 CPU: 14858.8, 0.00309269/step Wall: 14858.8, 0.00309269/step, 0.207554 hours remaining, 235.433594 MB of memory in use. ENERGY: 4758400 4015.5403 20680.1034 14452.8294 257.4537 -203638.2615 3049.7162 0.0000 0.0000 51968.9498 -109213.6688 298.6663 -161182.6186 -108861.2339 299.3184 10.1725 28.4064 763051.9687 0.8966 0.7678 PRESSURE: 4758600 175.792 63.9107 -134.443 63.9105 81.085 288.963 -134.444 288.964 173.571 GPRESSURE: 4758600 271.665 88.844 -245.176 -3.62597 93.5583 236.726 -9.5713 170.936 162.276 PRESSAVG: 4758600 43.1162 -24.3047 44.8464 -24.3047 -0.131199 -29.0107 44.8464 -29.0106 -2.84028 GPRESSAVG: 4758600 43.138 -25.4487 45.8114 -24.1053 0.117169 -29.6539 45.2874 -30.7741 -2.39691 TIMING: 4758600 CPU: 14859.4, 0.00308529/step Wall: 14859.4, 0.00308529/step, 0.206886 hours remaining, 235.433594 MB of memory in use. ENERGY: 4758600 4022.9215 20654.7589 14420.2700 256.4071 -203680.2723 2945.9442 0.0000 0.0000 52300.6837 -109079.2869 300.5727 -161379.9706 -108720.0358 299.5472 143.4827 175.8329 763156.6906 13.3816 13.6194 PRESSURE: 4758800 111.704 -177.643 166.188 -177.643 8.3814 31.9672 166.188 31.9679 -6.65382 GPRESSURE: 4758800 92.8221 -144.661 245.636 -75.2391 96.1784 76.8128 127.651 -112.672 16.9004 PRESSAVG: 4758800 22.9379 -29.6864 23.2656 -29.6865 7.54011 22.6103 23.2656 22.6104 -8.52709 GPRESSAVG: 4758800 23.3242 -30.0142 22.226 -30.2076 8.3302 21.1885 22.3871 24.2623 -9.59791 TIMING: 4758800 CPU: 14860, 0.00309243/step Wall: 14860, 0.00309243/step, 0.207193 hours remaining, 235.433594 MB of memory in use. ENERGY: 4758800 3929.1696 20694.9604 14411.9811 240.6129 -203349.7692 2967.5791 0.0000 0.0000 51931.5142 -109173.9518 298.4511 -161105.4660 -108816.3066 299.3304 37.8105 68.6336 764237.2131 7.3170 7.3521 PRESSURE: 4759000 -143.975 7.61663 -105.868 7.61622 75.8153 -130.365 -105.868 -130.365 354.446 GPRESSURE: 4759000 -88.2813 -4.24133 -73.5222 -31.3539 169.07 -10.145 -50.3526 -19.8604 289.883 PRESSAVG: 4759000 0.847962 -27.5914 -23.7035 -27.5915 4.55361 9.30357 -23.7036 9.30358 -37.9245 GPRESSAVG: 4759000 0.274127 -27.8113 -24.3633 -24.3564 4.1344 12.2057 -26.4152 9.10868 -37.5434 TIMING: 4759000 CPU: 14860.6, 0.00308384/step Wall: 14860.6, 0.00308384/step, 0.206446 hours remaining, 235.433594 MB of memory in use. ENERGY: 4759000 3938.5569 20544.0917 14389.6900 242.5683 -202955.1538 2638.5439 0.0000 0.0000 52274.9990 -108926.7040 300.4251 -161201.7030 -108560.3643 299.6672 95.4290 123.5574 764952.1644 -10.8410 -11.0450 PRESSURE: 4759200 284.877 6.88132 232.863 6.88069 185.69 42.248 232.863 42.2481 -121.638 GPRESSURE: 4759200 293.623 -204.07 206.058 50.5598 167.314 -19.5287 238.445 -100.238 -23.9419 PRESSAVG: 4759200 20.5902 -26.9056 -32.273 -26.9056 0.827158 43.0345 -32.2731 43.0344 -3.88613 GPRESSAVG: 4759200 20.2613 -24.5516 -30.8927 -28.9149 1.13692 41.6834 -31.0305 42.6648 -4.26994 TIMING: 4759200 CPU: 14861.2, 0.00308102/step Wall: 14861.2, 0.00308102/step, 0.206086 hours remaining, 235.421875 MB of memory in use. ENERGY: 4759200 3998.0729 20817.6135 14427.5755 235.7360 -203374.3467 2767.6961 0.0000 0.0000 52172.4396 -108955.2131 299.8357 -161127.6528 -108598.9106 299.9744 116.3096 145.6652 762869.6481 5.8438 5.7094 PRESSURE: 4759400 232.6 -122.531 -168.832 -122.531 5.71464 -66.2965 -168.833 -66.2977 71.5147 GPRESSURE: 4759400 308.112 -33.0281 -151.501 -103.934 -27.4578 -10.558 -146.383 -170.743 104.305 PRESSAVG: 4759400 -15.236 -5.69015 3.66925 -5.69012 13.2216 17.8149 3.66922 17.815 -1.5137 GPRESSAVG: 4759400 -15.1794 -7.44993 2.51145 -6.19956 12.6739 16.3999 3.94577 16.3683 -1.39709 TIMING: 4759400 CPU: 14861.9, 0.00309875/step Wall: 14861.9, 0.00309875/step, 0.2071 hours remaining, 235.433594 MB of memory in use. ENERGY: 4759400 4043.7939 20648.8194 14432.7502 258.4193 -203384.8577 2968.9028 0.0000 0.0000 52000.4338 -109031.7382 298.8472 -161032.1720 -108668.3781 299.8742 103.2765 128.3198 764305.0150 -1.1760 -1.3009 PRESSURE: 4759600 -83.5329 -154.539 69.0042 -154.54 427.528 67.216 69.0045 67.216 110.316 GPRESSURE: 4759600 -23.0691 -242.102 42.9554 -105.345 422.112 67.239 49.729 129.388 152.391 PRESSAVG: 4759600 32.1869 -35.8114 12.4533 -35.8114 -56.0416 -0.400796 12.4533 -0.400854 4.95944 GPRESSAVG: 4759600 32.3136 -34.0109 13.9929 -37.3146 -56.3087 0.242749 12.1271 1.9121 4.68032 TIMING: 4759600 CPU: 14862.5, 0.00310183/step Wall: 14862.5, 0.00310183/step, 0.207134 hours remaining, 235.433594 MB of memory in use. ENERGY: 4759600 4009.2674 20388.5293 14448.9590 246.3622 -203402.8892 2939.3190 0.0000 0.0000 52048.7563 -109321.6960 299.1249 -161370.4523 -108954.1544 299.6255 151.4373 183.8113 764042.2481 -6.2984 -6.4382 PRESSURE: 4759800 -162.562 -129.795 176.722 -129.795 -53.48 92.2789 176.721 92.279 141.073 GPRESSURE: 4759800 -120.418 -154.14 83.8585 -212.346 -37.7246 73.7551 138.777 146.849 173.376 PRESSAVG: 4759800 -12.016 -29.1272 -11.9336 -29.1272 8.2658 63.7596 -11.9336 63.7596 -30.3532 GPRESSAVG: 4759800 -11.5819 -31.1871 -14.1256 -25.6402 9.10717 63.5772 -11.8454 63.6054 -30.9835 TIMING: 4759800 CPU: 14863.1, 0.00310983/step Wall: 14863.1, 0.00310984/step, 0.207495 hours remaining, 235.433594 MB of memory in use. ENERGY: 4759800 3968.8782 20706.1821 14390.0299 244.7319 -203263.6805 2606.6346 0.0000 0.0000 51959.4086 -109387.8152 298.6114 -161347.2238 -109035.4050 299.2366 -24.9897 5.0779 764716.6692 -11.3678 -11.1527 PRESSURE: 4760000 -305.6 -31.3829 -160.895 -31.3827 -289.031 169.184 -160.894 169.185 -63.0701 GPRESSURE: 4760000 -298.788 2.75097 -114.042 -25.0559 -241.3 154.53 -103.237 199.177 -54.2629 PRESSAVG: 4760000 -38.0225 -13.4049 -18.9591 -13.4049 -4.19666 61.4682 -18.959 61.4681 -7.23482 GPRESSAVG: 4760000 -38.8961 -13.2466 -16.3682 -14.5731 -3.28361 61.0176 -19.7193 63.5222 -6.97878 TIMING: 4760000 CPU: 14863.7, 0.00310499/step Wall: 14863.7, 0.00310499/step, 0.207 hours remaining, 235.433594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4760000 4035.5073 20593.2068 14430.5819 247.6336 -203307.2197 2667.3278 0.0000 0.0000 52042.1553 -109290.8069 299.0870 -161332.9622 -108937.0610 298.7370 -219.2338 -198.1167 764611.9564 -16.4847 -16.3861 PRESSURE: 4760200 -241.883 -95.2872 -193.847 -95.2877 -281.306 97.0231 -193.848 97.0231 0.856144 GPRESSURE: 4760200 -234.876 -80.0303 -238.027 -34.1133 -235.08 29.1271 -219.582 132.633 40.9538 PRESSAVG: 4760200 2.61125 -85.6491 13.3122 -85.649 38.2945 4.54115 13.3123 4.54117 5.25 GPRESSAVG: 4760200 2.56965 -84.0944 13.0811 -85.8021 36.9575 3.76914 14.3065 3.43362 6.36779 TIMING: 4760200 CPU: 14864.3, 0.00310382/step Wall: 14864.3, 0.00310382/step, 0.206749 hours remaining, 235.433594 MB of memory in use. ENERGY: 4760200 4034.9215 20575.9514 14349.6446 237.8894 -203277.7814 2590.5641 0.0000 0.0000 52329.4121 -109159.3984 300.7379 -161488.8104 -108789.0259 299.6967 -174.1107 -143.0008 762882.5444 15.3852 15.2983 LDB: ============= START OF LOAD BALANCING ============== 14876.8 LDB: ============== END OF LOAD BALANCING =============== 14876.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14876.8 LDB: ============= START OF LOAD BALANCING ============== 14877.1 LDB: Largest compute 7056 load 0.030360 is 15.5% of average load 0.195325 LDB: Average compute 0.004394 is 2.2% of average load 0.195325 LDB: TIME 14877.1 LOAD: AVG 0.195325 MAX 0.215781 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.75 MB LDB: TIME 14877.1 LOAD: AVG 0.195325 MAX 0.215781 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.75 MB LDB: TIME 14877.1 LOAD: AVG 0.195325 MAX 0.215781 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.75 MB LDB: ============== END OF LOAD BALANCING =============== 14877.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14877.1 PRESSURE: 4760400 323.225 -4.50437 -65.5795 -4.50419 -50.1124 24.488 -65.5797 24.4874 308.058 GPRESSURE: 4760400 435.27 57.2984 15.5626 -46.6046 18.3294 25.3699 -39.0226 9.0267 225.639 PRESSAVG: 4760400 26.2442 41.702 25.3179 41.7019 -37.4431 44.735 25.3179 44.7349 -27.2374 GPRESSAVG: 4760400 26.2824 40.931 25.3321 41.7318 -37.3118 43.8356 25.4353 44.1877 -26.9479 TIMING: 4760400 CPU: 14865, 0.00315555/step Wall: 14865, 0.00315555/step, 0.210019 hours remaining, 234.828125 MB of memory in use. ENERGY: 4760400 3941.9040 20625.1877 14392.0487 235.9410 -203191.6741 2582.4582 0.0000 0.0000 52121.9717 -109292.1629 299.5457 -161414.1346 -108936.0366 299.5219 193.7236 226.4128 762203.6007 -12.8121 -12.6591 PRESSURE: 4760600 151.121 87.4288 130.176 87.4287 236.958 -167.741 130.176 -167.741 328.085 GPRESSURE: 4760600 251.68 -23.6623 -3.515 -13.7576 276.675 -66.2087 94.3682 -183.145 293.271 PRESSAVG: 4760600 -0.016008 -25.1894 -0.0757441 -25.1894 6.11632 -0.648945 -0.0757462 -0.64891 15.4165 GPRESSAVG: 4760600 0.390229 -26.1332 -3.11884 -25.6156 6.97629 0.66575 -1.74382 -0.806444 14.2413 TIMING: 4760600 CPU: 14865.6, 0.00309851/step Wall: 14865.6, 0.00309851/step, 0.206051 hours remaining, 235.562500 MB of memory in use. ENERGY: 4760600 3923.8414 20655.3988 14296.4374 244.3322 -203826.4423 3174.6692 0.0000 0.0000 52185.7242 -109346.0392 299.9121 -161531.7633 -108991.9949 299.6330 238.7215 273.8754 762281.0308 7.1723 7.2026 PRESSURE: 4760800 -266.926 -50.1965 252.419 -50.1971 -225.38 -17.676 252.418 -17.6759 -98.6263 GPRESSURE: 4760800 -183.716 11.4229 235.187 -40.925 -154.231 -66.8387 187.665 -0.296011 -172.624 PRESSAVG: 4760800 -21.5642 -14.0547 23.8198 -14.0548 88.1956 -6.11229 23.8198 -6.11228 17.6447 GPRESSAVG: 4760800 -22.5137 -12.2268 25.8217 -13.1358 86.8936 -3.49451 24.9021 -7.21373 18.9722 TIMING: 4760800 CPU: 14866.2, 0.00310382/step Wall: 14866.2, 0.00310382/step, 0.206232 hours remaining, 235.562500 MB of memory in use. ENERGY: 4760800 4010.6590 20688.6839 14250.2514 255.4057 -203826.1325 2931.3167 0.0000 0.0000 52278.6457 -109411.1702 300.4461 -161689.8158 -109051.1318 299.6860 -196.9773 -170.1901 763364.3382 28.0920 27.7840 PRESSURE: 4761000 -42.254 -199.755 -65.0891 -199.755 -41.7482 204.673 -65.0879 204.674 -78.4491 GPRESSURE: 4761000 -90.2183 -204.129 -41.6747 -221.46 8.46781 153.375 -105.131 49.0566 24.2703 PRESSAVG: 4761000 -36.7359 -0.354878 -31.0249 -0.354863 -0.230208 10.6098 -31.0248 10.6098 26.921 GPRESSAVG: 4761000 -36.0826 -1.31963 -30.8038 -0.220527 -0.117756 8.66109 -32.2421 11.9162 26.6778 TIMING: 4761000 CPU: 14866.8, 0.00312014/step Wall: 14866.8, 0.00312014/step, 0.207143 hours remaining, 235.562500 MB of memory in use. ENERGY: 4761000 4020.0071 20441.9164 14431.8386 245.1546 -203160.3106 2660.2775 0.0000 0.0000 51916.1100 -109445.0064 298.3626 -161361.1164 -109086.4700 299.1165 -54.1504 -19.1601 763609.7995 -3.3484 -3.1742 PRESSURE: 4761200 160.307 -141.072 -145.326 -141.072 317.477 -180.606 -145.325 -180.606 35.7437 GPRESSURE: 4761200 171.446 -209.391 -144.815 -198.847 351.107 -189.769 -154.238 -280.65 74.6794 PRESSAVG: 4761200 31.4347 -41.5956 19.975 -41.5956 -18.6979 1.33869 19.975 1.33868 -2.03632 GPRESSAVG: 4761200 28.6859 -43.4028 20.3166 -42.921 -17.7612 2.42715 21.2358 -1.10836 -1.19493 TIMING: 4761200 CPU: 14867.5, 0.0031179/step Wall: 14867.5, 0.0031179/step, 0.206821 hours remaining, 235.562500 MB of memory in use. ENERGY: 4761200 3913.1920 20442.6722 14399.7535 254.6904 -203318.8824 2732.9047 0.0000 0.0000 52211.4676 -109364.2021 300.0600 -161575.6697 -108995.8936 299.0301 171.1759 199.0775 761327.8301 3.5668 3.2433 PRESSURE: 4761400 118.54 -177.895 74.4978 -177.895 439.559 -24.7201 74.4979 -24.7204 249.621 GPRESSURE: 4761400 257.35 -245.107 82.3123 -112.94 377.353 70.6501 126.7 79.1269 249.844 PRESSAVG: 4761400 20.3816 -41.0892 -32.1656 -41.0892 30.0079 -18.4348 -32.1656 -18.4348 -0.0438833 GPRESSAVG: 4761400 21.1263 -39.4341 -32.6598 -41.5061 29.0401 -17.4486 -30.9254 -16.6479 -0.0930327 TIMING: 4761400 CPU: 14868.1, 0.00309782/step Wall: 14868.1, 0.00309782/step, 0.205317 hours remaining, 235.562500 MB of memory in use. ENERGY: 4761400 4038.2898 20540.2110 14437.5177 248.7398 -203523.2676 2984.3504 0.0000 0.0000 51742.4418 -109531.7171 297.3645 -161274.1589 -109179.7605 299.2160 269.2401 294.8490 761847.8193 16.7819 16.6911 PRESSURE: 4761600 -90.7033 -198.833 -36.4608 -198.832 -32.7485 -163.232 -36.46 -163.232 -316.101 GPRESSURE: 4761600 -67.1529 -120.757 21.2207 -80.021 -37.1435 -123.749 -228.138 -14.8329 -273.951 PRESSAVG: 4761600 -23.3889 6.70167 30.5539 6.70169 -21.6634 -40.3556 30.554 -40.3556 -5.3368 GPRESSAVG: 4761600 -22.3375 4.29383 32.2854 9.4291 -22.0617 -39.4953 26.6519 -41.6955 -6.31056 TIMING: 4761600 CPU: 14868.7, 0.00309507/step Wall: 14868.7, 0.00309507/step, 0.204962 hours remaining, 235.562500 MB of memory in use. ENERGY: 4761600 3915.8031 20622.8699 14326.5775 241.2327 -202908.8649 2360.2262 0.0000 0.0000 52072.1321 -109370.0234 299.2593 -161442.1555 -109008.7233 299.1597 -146.5175 -126.0825 763648.2600 -16.7964 -16.9033 PRESSURE: 4761800 -337.511 130.057 -272.761 130.057 -585.879 -157.806 -272.762 -157.806 -177.463 GPRESSURE: 4761800 -291.615 85.6107 -213.071 170.048 -488.218 -247.219 -161.07 -99.1498 -249.612 PRESSAVG: 4761800 1.61516 -8.97822 -48.7296 -8.97813 0.323553 34.5119 -48.7296 34.5119 -12.0935 GPRESSAVG: 4761800 0.651989 -9.38404 -50.5322 -10.5283 1.62431 31.3624 -46.2556 36.6182 -12.4852 TIMING: 4761800 CPU: 14869.3, 0.00310652/step Wall: 14869.3, 0.00310652/step, 0.205548 hours remaining, 235.562500 MB of memory in use. ENERGY: 4761800 3927.0833 20527.3918 14405.7210 262.1345 -202887.7937 2519.5793 0.0000 0.0000 51811.3002 -109434.5836 297.7603 -161245.8838 -109076.6311 299.0650 -366.9509 -343.1483 764729.7597 -3.3849 -3.4030 PRESSURE: 4762000 98.7614 -13.5014 12.5525 -13.5017 -210.212 0.190721 12.5529 0.18905 291.858 GPRESSURE: 4762000 123.016 -25.7997 -15.7704 -3.86308 -94.2224 57.1253 -7.68126 -2.43284 200.351 PRESSAVG: 4762000 35.8687 26.4973 -56.1807 26.4974 -21.9652 -32.4409 -56.1808 -32.4409 -14.4792 GPRESSAVG: 4762000 36.7946 30.0429 -55.516 25.0277 -22.0304 -31.0233 -54.79 -31.2424 -15.9206 TIMING: 4762000 CPU: 14869.9, 0.00309588/step Wall: 14869.9, 0.00309588/step, 0.204672 hours remaining, 235.562500 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: 4762000 4013.5478 20550.2269 14375.3992 265.5902 -203109.4845 2534.9733 0.0000 0.0000 51889.9457 -109479.8014 298.2122 -161369.7471 -109114.0230 299.4206 60.1358 76.3818 762433.7313 -0.1919 -0.3855 PRESSURE: 4762200 -244.066 -144.979 5.61511 -144.978 -57.08 285.793 5.61499 285.793 -18.3724 GPRESSURE: 4762200 -213.301 -3.09142 12.1241 -121.689 -71.6956 292.073 -5.35971 243.36 48.5399 PRESSAVG: 4762200 74.1058 -13.2733 -24.7576 -13.2733 -51.1343 -47.8586 -24.7576 -47.8587 -1.991 GPRESSAVG: 4762200 74.6618 -12.9536 -26.2985 -12.6504 -51.7708 -50.0033 -24.25 -48.8034 -1.79565 TIMING: 4762200 CPU: 14870.6, 0.0030879/step Wall: 14870.6, 0.0030879/step, 0.203973 hours remaining, 235.562500 MB of memory in use. ENERGY: 4762200 3983.7697 20472.5059 14357.6345 267.9909 -203437.2657 2788.0568 0.0000 0.0000 52042.7847 -109524.5231 299.0906 -161567.3078 -109164.3883 299.3158 -106.5061 -78.8189 762065.4125 6.9935 7.0318 PRESSURE: 4762400 -422.659 -49.9943 -54.7204 -49.9936 -219.758 -32.1822 -54.7196 -32.182 -229.989 GPRESSURE: 4762400 -256.384 -82.8694 -189.992 -64.448 -271.421 38.828 -65.8908 27.5128 -261.601 PRESSAVG: 4762400 3.02093 -8.61532 -78.6015 -8.6153 25.4355 14.9423 -78.6015 14.9423 -2.23108 GPRESSAVG: 4762400 2.85869 -8.57529 -77.6536 -11.6682 25.1242 17.3205 -81.6353 14.6006 -1.94155 TIMING: 4762400 CPU: 14871.2, 0.00307733/step Wall: 14871.2, 0.00307733/step, 0.203104 hours remaining, 235.562500 MB of memory in use. ENERGY: 4762400 4009.6748 20369.9167 14376.3331 235.2652 -203122.5873 2479.5985 0.0000 0.0000 52143.0641 -109508.7349 299.6669 -161651.7990 -109132.2953 298.7873 -290.8016 -263.1354 762447.5789 8.7418 8.6805 PRESSURE: 4762600 51.5092 17.5793 111.426 17.5786 94.9824 -307.112 111.425 -307.112 95.0976 GPRESSURE: 4762600 138.963 28.5346 68.5461 -126.373 61.5539 -291.043 178.289 -208.409 133.136 PRESSAVG: 4762600 -25.1294 -28.1366 -62.7432 -28.1366 7.80342 1.81293 -62.7431 1.81297 26.4339 GPRESSAVG: 4762600 -24.564 -29.558 -62.7227 -26.1388 8.33768 1.17332 -62.1597 2.04621 25.5675 TIMING: 4762600 CPU: 14871.8, 0.00307714/step Wall: 14871.8, 0.00307715/step, 0.202921 hours remaining, 235.562500 MB of memory in use. ENERGY: 4762600 3952.9933 20531.1705 14430.1498 241.1971 -203876.9867 3032.6470 0.0000 0.0000 51903.7029 -109785.1262 298.2913 -161688.8291 -109432.7310 298.7663 80.5297 111.2177 761772.3754 3.0360 3.1137 PRESSURE: 4762800 265.152 -36.5013 -11.4191 -36.5012 53.3481 58.5334 -11.4198 58.5327 73.3507 GPRESSURE: 4762800 187.809 -133.772 -47.1284 36.4074 157.065 70.4495 178.405 38.5251 130.354 PRESSAVG: 4762800 -47.5869 7.30551 -55.6175 7.30551 66.955 9.80883 -55.6175 9.80876 -6.84665 GPRESSAVG: 4762800 -48.399 6.65838 -54.5992 9.0805 67.1179 8.46481 -53.4934 11.1547 -5.93557 TIMING: 4762800 CPU: 14872.4, 0.00308667/step Wall: 14872.4, 0.00308667/step, 0.203377 hours remaining, 235.562500 MB of memory in use. ENERGY: 4762800 3880.9543 20588.7844 14364.7945 258.0936 -203918.4065 3188.2761 0.0000 0.0000 51874.4885 -109763.0151 298.1234 -161637.5036 -109396.3814 298.8211 130.6168 158.4094 762335.2420 4.1738 4.2611 PRESSURE: 4763000 221.144 -189.849 66.8993 -189.849 415.683 -303.517 66.8982 -303.517 511.32 GPRESSURE: 4763000 215.852 -102.322 104.771 -50.6495 411.579 -267.737 -29.8025 -202.824 567.579 PRESSAVG: 4763000 -6.18618 6.76165 -34.3295 6.76168 4.14163 26.9141 -34.3295 26.914 -2.58612 GPRESSAVG: 4763000 -7.3495 8.9398 -33.0367 4.63631 5.51628 26.0389 -38.9447 26.509 -3.47276 TIMING: 4763000 CPU: 14873, 0.00308924/step Wall: 14873, 0.00308924/step, 0.203375 hours remaining, 235.562500 MB of memory in use. ENERGY: 4763000 3909.0336 20676.8381 14406.2745 255.1906 -203807.7810 2978.5988 0.0000 0.0000 51810.8641 -109770.9813 297.7577 -161581.8454 -109416.1921 298.5644 382.7159 398.3369 761448.2908 -1.5436 -1.7687 PRESSURE: 4763200 28.7021 -91.8646 11.3715 -91.8642 -112.015 -227.28 11.3717 -227.28 -252.272 GPRESSURE: 4763200 19.664 -10.2245 46.1634 -68.8724 -16.0576 -227.457 74.7492 -143.647 -236.899 PRESSAVG: 4763200 17.8314 -46.2945 -9.34241 -46.2945 -12.8603 48.8748 -9.34245 48.8748 0.0532886 GPRESSAVG: 4763200 20.4213 -46.3195 -10.2165 -47.481 -13.8841 49.129 -6.24477 48.5623 -0.548139 TIMING: 4763200 CPU: 14873.6, 0.00310024/step Wall: 14873.6, 0.00310024/step, 0.203927 hours remaining, 235.562500 MB of memory in use. ENERGY: 4763200 3975.6060 20556.2841 14417.7371 232.7202 -203696.2456 2849.5559 0.0000 0.0000 51746.1151 -109918.2272 297.3856 -161664.3423 -109556.1280 297.9367 -111.8615 -77.7643 761762.8860 1.6748 1.9964 PRESSURE: 4763400 -52.3141 7.68984 -90.6077 7.6892 -50.3857 -15.5522 -90.6079 -15.5515 -194.699 GPRESSURE: 4763400 -47.6965 -154.561 -125.934 -72.515 73.9784 -23.0442 -61.1264 -15.3227 -225.157 PRESSAVG: 4763400 -3.97591 49.5693 -41.1851 49.5692 25.3161 58.5716 -41.1851 58.5716 5.665 GPRESSAVG: 4763400 -4.46778 47.5982 -43.4117 51.1628 24.2808 58.6565 -40.1087 57.9472 7.18432 TIMING: 4763400 CPU: 14874.3, 0.00311256/step Wall: 14874.3, 0.00311256/step, 0.204565 hours remaining, 235.562500 MB of memory in use. ENERGY: 4763400 4042.3240 20529.9303 14414.6305 240.6575 -203887.5622 3087.9763 0.0000 0.0000 51793.8070 -109778.2366 297.6597 -161572.0436 -109418.4188 298.0906 -99.1329 -66.2918 762616.3639 9.0017 8.9991 PRESSURE: 4763600 179.166 152.842 2.57737 152.841 202.553 25.745 2.57705 25.7445 118.944 GPRESSURE: 4763600 241.945 142.375 1.44161 257.547 320.059 70.5707 4.76152 -20.6119 20.4671 PRESSAVG: 4763600 9.30608 5.32204 -2.62715 5.322 -49.9631 37.6586 -2.62715 37.6586 -12.3479 GPRESSAVG: 4763600 8.45373 6.4117 -0.884431 4.53057 -48.6698 38.825 -2.79627 37.9006 -12.9151 TIMING: 4763600 CPU: 14874.9, 0.00308995/step Wall: 14874.9, 0.00308995/step, 0.202907 hours remaining, 235.562500 MB of memory in use. ENERGY: 4763600 3927.1995 20531.2440 14447.3670 245.8545 -203585.0830 2900.6167 0.0000 0.0000 51952.8119 -109579.9894 298.5735 -161532.8012 -109211.1840 298.1656 166.8874 194.1571 763244.5187 -17.6683 -17.7104 PRESSURE: 4763800 -139.47 113.885 -22.026 113.885 -190.405 -107.487 -22.0261 -107.485 -50.4006 GPRESSURE: 4763800 -64.3339 126.782 -21.7518 51.5189 -241.801 -142.54 59.553 -102.897 29.783 PRESSAVG: 4763800 -10.6867 -7.32884 -34.2524 -7.32887 5.09105 91.0582 -34.2524 91.0582 -5.74726 GPRESSAVG: 4763800 -10.9356 -6.45577 -33.7365 -6.7402 4.11396 90.9903 -36.1829 89.5911 -4.43619 TIMING: 4763800 CPU: 14875.5, 0.00309567/step Wall: 14875.5, 0.00309567/step, 0.20311 hours remaining, 235.562500 MB of memory in use. ENERGY: 4763800 3952.7347 20471.3379 14426.1341 264.4107 -203265.1105 2813.7179 0.0000 0.0000 51675.5018 -109661.2734 296.9798 -161336.7753 -109311.5300 297.9241 -126.7587 -92.1173 763113.6347 -3.7810 -3.7526 PRESSURE: 4764000 82.8092 78.6139 16.5896 78.6136 94.6665 -175.736 16.5898 -175.735 135.01 GPRESSURE: 4764000 138.637 89.5803 89.5017 85.096 134.703 -161.555 -146.669 -171.709 108.557 PRESSAVG: 4764000 2.00247 11.4332 38.886 11.4333 -32.9043 65.0947 38.886 65.0947 -4.14295 GPRESSAVG: 4764000 1.64414 9.7508 38.8375 12.0987 -32.8586 65.0909 38.3242 65.8431 -3.65795 TIMING: 4764000 CPU: 14876.1, 0.00309302/step Wall: 14876.1, 0.00309302/step, 0.202765 hours remaining, 235.562500 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: 4764000 4060.6473 20458.9814 14382.0367 251.7223 -203722.3553 2968.6920 0.0000 0.0000 51897.7897 -109702.4858 298.2573 -161600.2754 -109337.5917 298.2382 104.1619 127.2988 760905.5830 -11.6816 -11.6241 PRESSURE: 4764200 -267.178 241.328 -275.732 241.329 -69.9393 -26.1074 -275.732 -26.1075 202.028 GPRESSURE: 4764200 -206.517 205.358 -208.814 158.795 -72.4711 -67.9102 -319.7 -96.8543 232.97 PRESSAVG: 4764200 -47.1049 16.0881 -15.9872 16.0881 65.0901 63.4887 -15.9871 63.4886 -18.2312 GPRESSAVG: 4764200 -45.5186 17.5431 -17.5573 15.3729 65.0832 62.5873 -14.0871 62.7171 -19.2829 TIMING: 4764200 CPU: 14876.7, 0.00310065/step Wall: 14876.7, 0.00310065/step, 0.203093 hours remaining, 235.562500 MB of memory in use. ENERGY: 4764200 3981.3288 20622.7614 14442.9473 239.4560 -203117.1890 2509.7361 0.0000 0.0000 51989.3113 -109331.6479 298.7833 -161320.9593 -108974.7019 298.9035 -45.0298 -15.3396 763107.5435 -0.0820 0.0939 LDB: ============= START OF LOAD BALANCING ============== 14889.2 LDB: ============== END OF LOAD BALANCING =============== 14889.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14889.2 LDB: ============= START OF LOAD BALANCING ============== 14889.5 LDB: Largest compute 7028 load 0.031464 is 16.1% of average load 0.195245 LDB: Average compute 0.004390 is 2.2% of average load 0.195245 LDB: TIME 14889.5 LOAD: AVG 0.195245 MAX 0.21467 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.75 MB LDB: TIME 14889.5 LOAD: AVG 0.195245 MAX 0.21467 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.828 MB LDB: TIME 14889.5 LOAD: AVG 0.195245 MAX 0.21467 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.828 MB LDB: ============== END OF LOAD BALANCING =============== 14889.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14889.5 PRESSURE: 4764400 -76.4311 19.5286 87.9178 19.5289 -74.4183 156.321 87.9179 156.32 168.489 GPRESSURE: 4764400 -26.0347 -30.9603 107.269 -96.4843 -24.4902 208.192 25.4306 152.347 136.834 PRESSAVG: 4764400 7.45702 67.2942 36.714 67.2942 -13.1969 45.2611 36.714 45.2611 -3.91288 GPRESSAVG: 4764400 7.26431 65.6805 37.1376 65.0188 -13.2152 44.5095 34.1259 46.5174 -3.83339 TIMING: 4764400 CPU: 14877.4, 0.00316428/step Wall: 14877.4, 0.00316427/step, 0.207084 hours remaining, 235.542969 MB of memory in use. ENERGY: 4764400 3968.7182 20511.5740 14495.7502 243.7604 -203474.0453 2732.0695 0.0000 0.0000 52066.9168 -109455.2563 299.2293 -161522.1731 -109094.0932 298.6620 5.8800 28.7697 762476.5294 -3.2176 -3.2614 PRESSURE: 4764600 321.44 44.1418 -101.275 44.1417 -227.582 -54.58 -101.274 -54.5788 164.407 GPRESSURE: 4764600 287.25 78.1568 -34.0399 36.8759 -163.243 3.79297 97.9403 -8.76048 202.072 PRESSAVG: 4764600 -3.68124 16.9944 12.6699 16.9943 36.3316 20.9689 12.6699 20.9689 27.1931 GPRESSAVG: 4764600 -3.56863 18.2627 14.3212 16.4626 37.4457 23.8594 14.6724 18.8624 26.7132 TIMING: 4764600 CPU: 14878, 0.00309775/step Wall: 14878, 0.00309775/step, 0.202559 hours remaining, 235.800781 MB of memory in use. ENERGY: 4764600 3889.6606 20575.3388 14438.7207 264.9022 -203538.5323 2843.4554 0.0000 0.0000 51866.6180 -109659.8366 298.0782 -161526.4546 -109302.4718 299.1875 86.0883 108.6928 762244.1076 19.9478 20.1968 PRESSURE: 4764800 302.028 -111.617 205.321 -111.617 -58.3062 -141.099 205.321 -141.1 -54.0277 GPRESSURE: 4764800 267.781 -160.771 142.949 -21.105 -16.322 -114.538 151.77 -92.8541 13.8826 PRESSAVG: 4764800 18.3729 11.3758 89.8637 11.3758 -7.9007 19.5053 89.8637 19.5054 3.59026 GPRESSAVG: 4764800 17.3532 11.5655 87.7391 13.922 -7.95366 17.9028 87.7466 22.9336 4.77108 TIMING: 4764800 CPU: 14878.6, 0.00308519/step Wall: 14878.6, 0.00308519/step, 0.201566 hours remaining, 236.128906 MB of memory in use. ENERGY: 4764800 4030.8158 20481.9419 14479.8876 257.0723 -203723.6944 3128.5382 0.0000 0.0000 51740.9081 -109604.5306 297.3557 -161345.4387 -109252.7196 298.7948 63.2315 88.4473 764048.4665 4.6875 4.7235 PRESSURE: 4765000 4.7894 -28.5491 275.999 -28.5487 127.639 -99.7708 275.999 -99.7711 358.91 GPRESSURE: 4765000 53.6679 -32.4292 253.577 55.7336 145.656 -192.704 277.215 -79.6425 371.167 PRESSAVG: 4765000 -40.1861 -22.0645 27.1929 -22.0645 66.104 -25.6608 27.1929 -25.6608 -5.82445 GPRESSAVG: 4765000 -40.0975 -23.9374 27.1795 -22.9425 66.1636 -26.1299 27.4445 -26.9038 -5.88501 TIMING: 4765000 CPU: 14879.2, 0.00310272/step Wall: 14879.2, 0.00310272/step, 0.202539 hours remaining, 236.140625 MB of memory in use. ENERGY: 4765000 3963.8128 20472.2964 14474.3370 252.1354 -203339.5395 2710.5832 0.0000 0.0000 51730.4131 -109735.9618 297.2954 -161466.3749 -109375.3685 298.3559 163.7796 190.1634 761254.0844 6.6978 6.7270 PRESSURE: 4765200 -370.231 -44.4442 -136.249 -44.4444 -260.14 -324.957 -136.25 -324.956 -254.656 GPRESSURE: 4765200 -401.305 2.25174 -55.7737 -45.1677 -237.585 -319.78 -175.224 -342.86 -174.517 PRESSAVG: 4765200 4.72911 -51.3441 46.311 -51.3441 31.9895 -37.2268 46.311 -37.2268 7.80872 GPRESSAVG: 4765200 5.533 -48.7656 45.1611 -51.6864 30.3387 -36.5826 46.3327 -38.1703 8.79124 TIMING: 4765200 CPU: 14879.8, 0.00311641/step Wall: 14879.8, 0.00311641/step, 0.203259 hours remaining, 236.140625 MB of memory in use. ENERGY: 4765200 3937.6221 20345.5701 14496.4772 257.1168 -203722.3279 2712.5233 0.0000 0.0000 52082.5572 -109890.4612 299.3192 -161973.0184 -109522.2685 297.6424 -295.0091 -271.1359 761913.9894 14.8425 14.8877 PRESSURE: 4765400 193.838 248.533 -6.19681 248.531 277.481 118.157 -6.19684 118.158 327.834 GPRESSURE: 4765400 256.432 140.974 -48.0904 207.925 267.624 111.284 -18.7481 32.8255 385.381 PRESSAVG: 4765400 3.31289 1.57187 -47.6507 1.5719 44.9135 -52.1702 -47.6507 -52.1702 -10.7903 GPRESSAVG: 4765400 2.15834 0.624925 -45.142 2.28874 45.1915 -50.5896 -48.4604 -52.7284 -10.6041 TIMING: 4765400 CPU: 14880.5, 0.00310678/step Wall: 14880.5, 0.00310678/step, 0.202459 hours remaining, 236.140625 MB of memory in use. ENERGY: 4765400 3971.9018 20206.1640 14462.6372 258.7976 -203516.0230 2700.2275 0.0000 0.0000 51936.7721 -109979.5228 298.4813 -161916.2949 -109611.8495 298.0589 266.3843 303.1457 759386.1535 12.4787 12.2486 PRESSURE: 4765600 -142.192 -199.216 39.7331 -199.216 31.9684 88.2307 39.7325 88.2303 -27.9906 GPRESSURE: 4765600 -50.8116 -327.55 34.873 -129.919 83.678 8.59509 177.253 132.825 -77.7582 PRESSAVG: 4765600 -30.8045 20.6231 58.5237 20.6232 28.4215 -11.4758 58.5237 -11.4758 -20.2835 GPRESSAVG: 4765600 -31.1 19.5474 57.0678 20.807 29.9851 -12.1638 60.4156 -10.7323 -21.2502 TIMING: 4765600 CPU: 14881.1, 0.00310158/step Wall: 14881.1, 0.00310158/step, 0.201947 hours remaining, 236.140625 MB of memory in use. ENERGY: 4765600 4057.6502 20314.5207 14513.1435 245.8941 -203717.1789 2743.3039 0.0000 0.0000 51934.8434 -109907.8232 298.4703 -161842.6667 -109539.0490 297.8063 -46.0714 -14.9639 760262.7549 -7.5555 -7.4550 PRESSURE: 4765800 118.359 -92.2616 -107.258 -92.2613 437.147 -207.815 -107.258 -207.815 -181.05 GPRESSURE: 4765800 169.97 -123.563 -71.0447 -79.3493 423.972 -183.921 -134.251 -88.4274 -145.067 PRESSAVG: 4765800 -21.8162 -44.5537 24.7043 -44.5536 32.6568 -24.6637 24.7043 -24.6637 17.8541 GPRESSAVG: 4765800 -21.6782 -45.7054 26.2916 -46.1377 32.9634 -26.8572 25.5767 -24.1643 17.3785 TIMING: 4765800 CPU: 14881.7, 0.00308874/step Wall: 14881.7, 0.00308874/step, 0.20094 hours remaining, 236.140625 MB of memory in use. ENERGY: 4765800 4062.9687 20567.3993 14543.3721 235.1820 -203611.9853 2748.0108 0.0000 0.0000 51709.0468 -109746.0056 297.1726 -161455.0524 -109392.1487 298.4290 124.8184 149.6248 761289.9872 9.5649 9.5546 PRESSURE: 4766000 -12.6473 233.537 160.252 233.537 -189.021 212.487 160.252 212.486 263.534 GPRESSURE: 4766000 -3.28812 124.218 186.118 246.041 -128.192 270.276 153.124 41.1935 277.173 PRESSAVG: 4766000 -71.5355 -25.1906 13.697 -25.1907 64.152 28.8198 13.697 28.8198 9.13829 GPRESSAVG: 4766000 -72.6805 -25.5724 13.4486 -23.1531 65.1211 30.2711 11.7005 27.7995 9.73265 TIMING: 4766000 CPU: 14882.3, 0.00308446/step Wall: 14882.3, 0.00308446/step, 0.20049 hours remaining, 236.140625 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: 4766000 3982.0674 20437.3822 14518.1824 266.2894 -203498.3505 2705.1006 0.0000 0.0000 51792.9599 -109796.3686 297.6549 -161589.3285 -109433.1903 298.4316 20.6220 48.5642 760495.1105 0.5850 0.7244 PRESSURE: 4766200 -119.765 109.789 -228.243 109.789 133.515 -167.28 -228.243 -167.28 -39.8104 GPRESSURE: 4766200 -120.923 110.178 -223.389 34.6939 131.632 -262.96 -231.559 -23.9597 22.9816 PRESSAVG: 4766200 -21.2291 0.755616 -24.5102 0.75566 -27.7186 10.989 -24.5102 10.9891 -35.0606 GPRESSAVG: 4766200 -19.9499 1.29554 -25.461 -0.242242 -29.602 12.3701 -24.9897 9.84336 -34.7001 TIMING: 4766200 CPU: 14882.9, 0.0030876/step Wall: 14882.9, 0.0030876/step, 0.200523 hours remaining, 236.140625 MB of memory in use. ENERGY: 4766200 4013.9621 20452.0090 14496.8028 257.5639 -203909.4415 3009.7088 0.0000 0.0000 51931.0646 -109748.3303 298.4485 -161679.3949 -109392.8551 297.8548 -8.6867 11.2302 762344.9323 -28.0028 -28.0840 PRESSURE: 4766400 24.6835 -162.361 -343.949 -162.36 197.431 134.41 -343.949 134.41 330.667 GPRESSURE: 4766400 134.516 -179.491 -372.68 -97.0653 245.174 185.659 -198.161 0.42298 251.535 PRESSAVG: 4766400 -37.3623 -12.0368 4.07976 -12.0368 73.538 -19.8176 4.07982 -19.8176 4.04472 GPRESSAVG: 4766400 -36.4712 -10.3044 2.42889 -12.5414 73.4329 -20.8067 7.06337 -19.6538 3.0252 TIMING: 4766400 CPU: 14883.6, 0.00309455/step Wall: 14883.6, 0.00309455/step, 0.200802 hours remaining, 236.140625 MB of memory in use. ENERGY: 4766400 3938.7572 20301.9630 14444.5906 246.7187 -203549.5851 2869.0226 0.0000 0.0000 52127.3487 -109621.1843 299.5766 -161748.5330 -109263.1110 298.7028 184.2603 210.4084 763681.7897 13.4068 13.3290 PRESSURE: 4766600 -70.9665 174.76 -188.924 174.76 61.0279 36.6845 -188.923 36.6834 419.337 GPRESSURE: 4766600 -24.7027 147.009 -168.396 148.49 134.536 63.0658 -92.01 34.2722 415.826 PRESSAVG: 4766600 7.38054 9.2518 11.9081 9.25179 9.12282 -10.4708 11.908 -10.4707 1.04328 GPRESSAVG: 4766600 7.39664 6.65831 14.4893 10.7922 9.32256 -11.497 12.4606 -9.04323 1.12572 TIMING: 4766600 CPU: 14884.2, 0.0030981/step Wall: 14884.2, 0.0030981/step, 0.20086 hours remaining, 236.140625 MB of memory in use. ENERGY: 4766600 3895.6920 20426.1278 14467.1934 245.0838 -203200.5841 2699.8162 0.0000 0.0000 52136.6314 -109330.0396 299.6299 -161466.6710 -108967.7594 298.6719 136.4662 175.2200 762322.0713 5.8489 5.9483 PRESSURE: 4766800 134.033 -54.6387 127.878 -54.6385 -269.175 127.77 127.878 127.769 77.7706 GPRESSURE: 4766800 275.93 28.3487 65.741 -141.565 -242.733 203.714 43.1158 110.287 -10.0436 PRESSAVG: 4766800 7.97475 2.58675 16.0906 2.58675 -21.0498 -24.0897 16.0905 -24.0898 -20.3456 GPRESSAVG: 4766800 7.65212 5.23604 15.1398 0.924029 -21.5929 -23.2375 16.6945 -25.2605 -19.568 TIMING: 4766800 CPU: 14884.8, 0.00310062/step Wall: 14884.8, 0.00310062/step, 0.200851 hours remaining, 236.140625 MB of memory in use. ENERGY: 4766800 4040.7368 20514.6452 14483.9927 256.0482 -203237.7956 2562.4696 0.0000 0.0000 52085.1187 -109294.7844 299.3339 -161379.9031 -108929.5517 299.1663 -19.1238 7.7180 762859.4793 -11.1402 -11.1696 PRESSURE: 4767000 231.386 -30.0687 231.811 -30.0702 167.711 -13.7856 231.811 -13.7845 277.316 GPRESSURE: 4767000 218 -51.8151 186.403 -15.7228 261.83 -4.01504 358.109 -24.7543 297.451 PRESSAVG: 4767000 4.2766 -38.0702 69.31 -38.0702 25.3467 -13.2064 69.31 -13.2064 15.2332 GPRESSAVG: 4767000 4.93593 -38.3567 70.0425 -38.6383 24.7591 -13.6843 66.2118 -14.1091 14.3652 TIMING: 4767000 CPU: 14885.4, 0.00309979/step Wall: 14885.4, 0.00309979/step, 0.200625 hours remaining, 236.140625 MB of memory in use. ENERGY: 4767000 3956.8815 20458.0958 14402.2940 269.6393 -203434.1989 2825.9667 0.0000 0.0000 51965.5144 -109555.8071 298.6465 -161521.3216 -109198.7489 299.0389 225.4708 259.0937 762536.2481 14.9522 14.6867 PRESSURE: 4767200 -231.229 111.279 -171.744 111.279 36.0285 198.543 -171.744 198.544 263.222 GPRESSURE: 4767200 -146.623 65.2537 -175.978 199.388 41.5779 206.22 -202.777 165.391 258.723 PRESSAVG: 4767200 6.33548 16.6278 9.05642 16.6278 -17.6177 0.71138 9.05639 0.711288 -14.5325 GPRESSAVG: 4767200 4.01957 17.5149 8.39688 18.0946 -15.927 0.929863 8.96982 2.03989 -14.3334 TIMING: 4767200 CPU: 14886, 0.00309768/step Wall: 14886, 0.00309768/step, 0.200316 hours remaining, 236.140625 MB of memory in use. ENERGY: 4767200 4093.7551 20409.9423 14425.2563 249.0724 -202999.8931 2584.2312 0.0000 0.0000 51677.1658 -109560.4700 296.9894 -161237.6358 -109208.6271 298.3500 22.6740 51.2261 763070.3656 -8.6049 -8.7469 PRESSURE: 4767400 239.124 1.14498 292.258 1.1452 109.243 159.692 292.258 159.692 15.1183 GPRESSURE: 4767400 207.167 -60.6454 281.572 -44.0148 209.983 143.313 240.109 247.485 38.3565 PRESSAVG: 4767400 -28.5203 -32.8719 25.3384 -32.872 14.8831 55.4436 25.3384 55.4437 -24.6264 GPRESSAVG: 4767400 -26.3514 -33.4478 24.5771 -35.2393 12.7529 54.3763 25.9245 55.7681 -24.7839 TIMING: 4767400 CPU: 14886.7, 0.00309765/step Wall: 14886.7, 0.00309765/step, 0.200142 hours remaining, 236.140625 MB of memory in use. ENERGY: 4767400 3972.1986 20390.2240 14439.2625 224.5175 -203275.3903 2830.6734 0.0000 0.0000 51766.8228 -109651.6915 297.5046 -161418.5143 -109297.1276 297.9140 121.1617 151.8356 763302.7466 -12.7546 -12.7941 PRESSURE: 4767600 -296.517 -53.2488 288.279 -53.2479 -61.4819 93.1424 288.278 93.1422 -54.1794 GPRESSURE: 4767600 -359.654 -71.5657 248.169 -67.5917 83.8499 69.668 352.572 158.403 -59.9349 PRESSAVG: 4767600 -31.0516 -54.8663 16.4846 -54.8663 34.2074 11.5231 16.4847 11.5231 -6.8707 GPRESSAVG: 4767600 -32.4735 -56.175 15.5177 -53.4286 35.5275 15.9632 18.6104 10.2137 -7.02922 TIMING: 4767600 CPU: 14887.3, 0.00310055/step Wall: 14887.3, 0.00310055/step, 0.200158 hours remaining, 236.140625 MB of memory in use. ENERGY: 4767600 4028.7724 20402.4974 14447.2068 265.2785 -203343.0843 2683.4496 0.0000 0.0000 52095.3347 -109420.5448 299.3926 -161515.8795 -109053.7365 298.2965 -137.3929 -111.9131 762401.9232 -1.2383 -1.3251 PRESSURE: 4767800 350.92 -93.7728 -23.7463 -93.772 16.0843 55.3639 -23.7455 55.3645 -95.8192 GPRESSURE: 4767800 329.106 -10.6584 111.357 -59.4411 75.2747 57.7609 74.3762 -10.7677 -58.554 PRESSAVG: 4767800 23.4001 -52.3963 5.93663 -52.3963 -1.33207 -19.8418 5.93661 -19.8418 7.76776 GPRESSAVG: 4767800 23.9503 -51.6755 7.55028 -52.8598 -1.39276 -22.7279 6.05512 -21.2694 7.47388 TIMING: 4767800 CPU: 14887.9, 0.00308818/step Wall: 14887.9, 0.00308818/step, 0.199188 hours remaining, 236.140625 MB of memory in use. ENERGY: 4767800 3982.7695 20401.7954 14396.1538 240.8935 -203119.5431 2838.5148 0.0000 0.0000 51739.1617 -109520.2543 297.3457 -161259.4160 -109151.0116 298.4465 90.3949 115.2756 762155.7053 9.9453 10.0105 PRESSURE: 4768000 242.119 7.2333 -83.6347 7.23358 390.92 -121.714 -83.6342 -121.714 382.841 GPRESSURE: 4768000 247.144 78.4912 -94.9975 -61.5987 438.245 -97.899 -102.143 -108.592 408.578 PRESSAVG: 4768000 2.61282 44.6694 19.0105 44.6694 -6.9873 -37.847 19.0106 -37.8469 -32.3391 GPRESSAVG: 4768000 3.32435 43.2661 19.4764 44.9404 -7.54802 -38.4666 15.6856 -34.2137 -32.3374 TIMING: 4768000 CPU: 14888.5, 0.0030775/step Wall: 14888.5, 0.0030775/step, 0.198328 hours remaining, 236.140625 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: 4768000 3971.3944 20312.2397 14467.0186 248.4662 -203265.4489 2710.7571 0.0000 0.0000 52091.5624 -109464.0105 299.3709 -161555.5729 -109113.5427 298.3143 338.6267 364.6558 763412.6849 -12.2378 -12.1870 PRESSURE: 4768200 -42.3816 -116.169 -60.17 -116.168 -57.8895 -175.239 -60.1698 -175.239 -86.6248 GPRESSURE: 4768200 -41.446 -78.9134 -81.4368 -79.7772 -23.4654 -244.428 -34.7955 -35.0701 -31.3285 PRESSAVG: 4768200 -6.88818 -4.61068 18.1222 -4.61072 20.3017 19.8095 18.1222 19.8095 14.095 GPRESSAVG: 4768200 -8.27226 -4.43512 19.0053 -4.27601 20.9777 19.704 18.1027 18.6492 15.552 TIMING: 4768200 CPU: 14889.1, 0.00309741/step Wall: 14889.1, 0.00309741/step, 0.199439 hours remaining, 236.140625 MB of memory in use. ENERGY: 4768200 4001.7911 20308.2037 14434.9159 274.0429 -203086.5864 2596.6574 0.0000 0.0000 51978.1098 -109492.8654 298.7189 -161470.9753 -109130.6241 298.6596 -62.2986 -32.0800 763460.9062 9.1695 9.4191 LDB: ============= START OF LOAD BALANCING ============== 14901.6 LDB: ============== END OF LOAD BALANCING =============== 14901.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14901.6 LDB: ============= START OF LOAD BALANCING ============== 14901.9 LDB: Largest compute 7059 load 0.031026 is 15.9% of average load 0.195326 LDB: Average compute 0.004382 is 2.2% of average load 0.195326 LDB: TIME 14901.9 LOAD: AVG 0.195326 MAX 0.217355 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.492 MB LDB: TIME 14901.9 LOAD: AVG 0.195326 MAX 0.217355 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.562 MB LDB: TIME 14901.9 LOAD: AVG 0.195326 MAX 0.217355 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.562 MB LDB: ============== END OF LOAD BALANCING =============== 14901.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14901.9 PRESSURE: 4768400 -19.8511 18.8901 166.095 18.8898 112.118 168.113 166.094 168.113 -225.078 GPRESSURE: 4768400 67.6112 -11.4869 152.969 -26.244 25.3414 213.841 171.684 -44.8443 -164.967 PRESSAVG: 4768400 21.6629 46.8014 18.6614 46.8013 -34.5984 18.0858 18.6614 18.0859 19.3919 GPRESSAVG: 4768400 23.0196 47.1109 16.3853 46.234 -35.6077 17.6085 19.754 18.2423 18.2843 TIMING: 4768400 CPU: 14889.8, 0.00317226/step Wall: 14889.8, 0.00317226/step, 0.204082 hours remaining, 235.671875 MB of memory in use. ENERGY: 4768400 4023.3924 20275.8231 14415.8225 253.7128 -203272.0033 2755.6881 0.0000 0.0000 52047.9949 -109499.5696 299.1205 -161547.5645 -109130.3514 298.5197 -44.2704 -24.0048 762305.4970 2.1521 1.8987 PRESSURE: 4768600 -264.204 -1.64341 43.1021 -1.6426 -356.136 -27.7284 43.1022 -27.7288 -28.7743 GPRESSURE: 4768600 -163.313 -73.2142 35.4689 4.93083 -291.779 -9.61104 34.8994 172.454 -95.6854 PRESSAVG: 4768600 22.0687 25.6938 66.5803 25.6939 -27.4334 39.0267 66.5804 39.0267 -8.28263 GPRESSAVG: 4768600 21.3412 27.125 67.8561 25.3186 -27.2742 38.3468 66.3412 38.0207 -7.83844 TIMING: 4768600 CPU: 14890.4, 0.00310493/step Wall: 14890.4, 0.00310493/step, 0.199578 hours remaining, 235.871094 MB of memory in use. ENERGY: 4768600 3999.3714 20438.7302 14431.6944 237.5264 -202896.2154 2405.4048 0.0000 0.0000 51916.5341 -109466.9540 298.3650 -161383.4881 -109106.5698 298.2442 -216.3716 -183.5927 763254.5912 -4.5491 -4.5905 PRESSURE: 4768800 296.235 75.7267 47.4103 75.7272 -105.516 -16.1121 47.41 -16.1126 7.64275 GPRESSURE: 4768800 328.31 67.2488 -48.2157 138.287 -110.891 3.49901 60.9892 10.8657 77.7477 PRESSAVG: 4768800 17.3423 -5.90676 56.0477 -5.90673 12.1298 13.8123 56.0477 13.8122 -20.8135 GPRESSAVG: 4768800 16.8795 -9.76319 56.3216 -4.40679 13.1164 14.6134 56.514 16.8997 -21.2246 TIMING: 4768800 CPU: 14891, 0.00310684/step Wall: 14891, 0.00310684/step, 0.199528 hours remaining, 235.871094 MB of memory in use. ENERGY: 4768800 3954.1970 20261.8522 14409.0691 240.8650 -203346.4251 2865.4787 0.0000 0.0000 52021.5041 -109593.4590 298.9683 -161614.9631 -109223.9391 298.4391 66.1206 98.3889 762473.3156 2.8862 2.9238 PRESSURE: 4769000 -62.8485 96.2403 100.649 96.2406 -365.099 181.471 100.648 181.471 -482.413 GPRESSURE: 4769000 -36.2065 129.551 31.7148 118.507 -300.234 147.948 142.915 153.485 -495.384 PRESSAVG: 4769000 31.1568 17.534 57.9351 17.534 -64.0598 15.1352 57.935 15.1352 -17.3288 GPRESSAVG: 4769000 30.5695 20.9551 57.6209 17.1958 -64.0441 14.9612 57.4023 12.4824 -16.552 TIMING: 4769000 CPU: 14891.6, 0.00313091/step Wall: 14891.6, 0.00313091/step, 0.2009 hours remaining, 235.871094 MB of memory in use. ENERGY: 4769000 3916.4498 20599.3662 14441.7540 249.3933 -203418.6142 2839.0420 0.0000 0.0000 51991.5996 -109381.0094 298.7964 -161372.6090 -109020.5032 298.0302 -303.4532 -277.2749 763333.6139 -16.7439 -16.6755 PRESSURE: 4769200 -94.4929 -33.9237 -86.3866 -33.9235 -274.175 -40.8604 -86.3865 -40.8603 215.971 GPRESSURE: 4769200 -25.7685 -133.45 -94.7132 -37.8068 -187.866 -44.7822 -166.417 -17.3503 154.741 PRESSAVG: 4769200 25.8691 23.9525 38.0668 23.9526 -7.01014 -43.5834 38.0668 -43.5835 6.1669 GPRESSAVG: 4769200 27.0466 21.5712 38.1904 23.1098 -7.71315 -43.303 38.0895 -42.9164 5.41384 TIMING: 4769200 CPU: 14892.3, 0.00309588/step Wall: 14892.3, 0.00309588/step, 0.19848 hours remaining, 235.871094 MB of memory in use. ENERGY: 4769200 3944.8535 20449.3764 14356.6332 230.6953 -203163.4605 2578.7898 0.0000 0.0000 52187.3202 -109415.7919 299.9212 -161603.1122 -109043.7099 298.6999 -50.8990 -19.6312 763955.7904 8.3419 8.2491 PRESSURE: 4769400 54.6507 -81.8571 161.419 -81.8564 -254.656 -142.378 161.419 -142.378 -47.493 GPRESSURE: 4769400 46.4999 -39.2167 92.0442 -54.3908 -237.119 -172.215 263.921 -198.667 39.3745 PRESSAVG: 4769400 -13.5808 23.8406 38.9075 23.8407 -8.10057 -11.7489 38.9075 -11.7489 -4.84209 GPRESSAVG: 4769400 -15.3953 25.0789 37.6407 23.6398 -6.8764 -12.3316 39.898 -12.5694 -4.42693 TIMING: 4769400 CPU: 14892.9, 0.00308473/step Wall: 14892.9, 0.00308473/step, 0.197594 hours remaining, 235.871094 MB of memory in use. ENERGY: 4769400 3956.1598 20456.1369 14428.0048 268.2016 -203072.4510 2588.7544 0.0000 0.0000 52012.5308 -109362.6628 298.9167 -161375.1935 -108995.1214 298.9803 -82.4995 -50.4147 764502.6972 -8.8411 -8.8996 PRESSURE: 4769600 -75.7433 -257.518 197.584 -257.517 64.6686 45.4765 197.585 45.4772 -64.2015 GPRESSURE: 4769600 -25.6822 -315.33 227.33 -252.463 33.7429 82.0179 30.345 -109.304 7.00054 PRESSAVG: 4769600 4.69908 -38.3004 -3.11257 -38.3004 25.5822 -12.9176 -3.11256 -12.9176 14.1327 GPRESSAVG: 4769600 6.18079 -40.1329 -2.99973 -38.1852 24.9885 -11.6363 -3.03226 -14.023 13.2126 TIMING: 4769600 CPU: 14893.5, 0.00311646/step Wall: 14893.5, 0.00311646/step, 0.199453 hours remaining, 235.871094 MB of memory in use. ENERGY: 4769600 3986.1175 20589.3194 14417.5369 260.4477 -203121.1073 2788.1747 0.0000 0.0000 51888.2539 -109191.2572 298.2025 -161079.5111 -108838.1262 299.0954 -25.0921 5.0204 763828.1507 14.8046 14.7940 PRESSURE: 4769800 -62.8777 -67.3737 -46.5306 -67.3734 -89.2909 44.9331 -46.5312 44.9329 19.4777 GPRESSURE: 4769800 62.1902 -71.5397 -43.9648 -226.871 -87.8243 -15.3945 -203.06 69.7438 -21.4481 PRESSAVG: 4769800 -8.6182 -4.78984 -14.7705 -4.78978 -8.76331 -27.423 -14.7705 -27.423 28.6789 GPRESSAVG: 4769800 -9.43348 -3.2821 -14.5808 -2.98473 -8.21962 -30.0607 -15.8376 -25.7464 29.7603 TIMING: 4769800 CPU: 14894.1, 0.00311027/step Wall: 14894.1, 0.00311027/step, 0.198884 hours remaining, 235.871094 MB of memory in use. ENERGY: 4769800 3982.3743 20497.0772 14391.2607 262.5781 -203148.9680 2702.3758 0.0000 0.0000 52152.0739 -109161.2280 299.7187 -161313.3019 -108801.8768 299.1967 -44.2303 -15.6940 764698.8865 3.7658 4.0357 PRESSURE: 4770000 209.476 -266.941 -172.471 -266.941 19.6983 5.15606 -172.471 5.15494 100.842 GPRESSURE: 4770000 142.926 -292.785 -230.348 -351.305 196.142 52.164 -61.275 -133.21 98.7005 PRESSAVG: 4770000 -38.1081 -30.4672 23.6881 -30.4672 51.6485 22.5609 23.6881 22.561 -22.1871 GPRESSAVG: 4770000 -37.79 -31.1191 24.7563 -33.1029 51.1751 25.464 23.0182 21.8831 -21.795 TIMING: 4770000 CPU: 14894.7, 0.00309306/step Wall: 14894.7, 0.00309306/step, 0.197612 hours remaining, 235.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4770000 3969.2025 20402.4184 14371.3063 215.5655 -203192.5870 2773.5789 0.0000 0.0000 52319.7311 -109140.7844 300.6822 -161460.5155 -108772.6880 299.0513 110.0056 145.9229 763519.5714 -2.8822 -2.8033 PRESSURE: 4770200 -55.9037 -150.615 -182.272 -150.615 -110.668 -208.817 -182.273 -208.817 98.2709 GPRESSURE: 4770200 -61.4411 -159.432 -168.116 -75.2878 -105.368 -103.548 -120.524 -224.701 174.231 PRESSAVG: 4770200 1.95463 -16.7566 -16.3058 -16.7566 -16.3747 -3.05684 -16.3059 -3.0569 -24.1427 GPRESSAVG: 4770200 3.11633 -16.288 -16.404 -15.6037 -18.3082 -4.88488 -14.4106 -3.20599 -23.3986 TIMING: 4770200 CPU: 14895.4, 0.00311066/step Wall: 14895.4, 0.00311066/step, 0.198564 hours remaining, 235.871094 MB of memory in use. ENERGY: 4770200 4029.4299 20564.1701 14418.9133 252.9390 -203401.6192 2845.7835 0.0000 0.0000 51997.2681 -109293.1153 298.8290 -161290.3835 -108939.6363 299.4577 -22.7668 2.4739 763885.9079 -12.8542 -12.8635 PRESSURE: 4770400 -62.6733 122.001 58.5236 122.002 18.616 76.7907 58.5227 76.7916 -297.935 GPRESSURE: 4770400 -119.631 13.614 44.5702 67.3305 115.413 80.1513 -8.99339 79.4952 -247.196 PRESSAVG: 4770400 35.9145 -2.29413 -19.5384 -2.29416 10.7583 -29.1999 -19.5385 -29.1999 4.72299 GPRESSAVG: 4770400 37.051 -3.63273 -19.4522 -3.90967 12.5122 -28.6297 -19.6804 -29.7343 2.65626 TIMING: 4770400 CPU: 14896, 0.00309105/step Wall: 14896, 0.00309105/step, 0.19714 hours remaining, 235.871094 MB of memory in use. ENERGY: 4770400 4041.7140 20522.1997 14449.5169 242.3102 -203552.5953 3005.1854 0.0000 0.0000 51958.0858 -109333.5834 298.6038 -161291.6692 -108978.8813 298.9018 -113.9975 -83.8046 763318.2854 17.1319 17.4065 PRESSURE: 4770600 116.824 -53.9448 65.5817 -53.9445 -224.477 5.9167 65.5817 5.91686 -189.432 GPRESSURE: 4770600 84.1889 24.0209 71.552 78.0148 -121.24 54.1965 50.9682 27.1963 -180.437 PRESSAVG: 4770600 -78.1414 -10.7304 -37.8069 -10.7304 59.2038 -40.6355 -37.8068 -40.6354 -3.64984 GPRESSAVG: 4770600 -79.3957 -8.95651 -39.0015 -10.3006 59.2877 -40.0389 -39.284 -40.8506 -2.02004 TIMING: 4770600 CPU: 14896.6, 0.0031029/step Wall: 14896.6, 0.0031029/step, 0.197724 hours remaining, 235.871094 MB of memory in use. ENERGY: 4770600 4027.2872 20389.0260 14423.4863 258.7379 -203170.8382 2749.4713 0.0000 0.0000 51890.9191 -109431.9104 298.2178 -161322.8295 -109072.3541 298.4525 -99.0284 -72.4959 765491.0965 -7.5291 -7.3760 PRESSURE: 4770800 -209.933 -106.95 128.647 -106.95 641.744 48.5768 128.647 48.5766 227.388 GPRESSURE: 4770800 -105.074 -215.651 100.433 -44.2565 615.277 20.1907 104.862 -3.26872 232.641 PRESSAVG: 4770800 -17.1908 -25.6004 -27.1017 -25.6004 34.0545 -43.098 -27.1017 -43.098 25.6037 GPRESSAVG: 4770800 -16.6032 -25.4202 -27.532 -25.8002 33.7347 -45.0091 -25.1764 -40.4582 25.0123 TIMING: 4770800 CPU: 14897.2, 0.00312162/step Wall: 14897.2, 0.00312162/step, 0.198743 hours remaining, 235.871094 MB of memory in use. ENERGY: 4770800 3947.4786 20526.0132 14358.7895 227.9291 -203609.5095 2940.6440 0.0000 0.0000 52066.9248 -109541.7302 299.2293 -161608.6551 -109178.5863 298.6453 219.7331 247.6147 762974.5963 14.1558 14.0479 PRESSURE: 4771000 57.2778 -6.69016 -108.849 -6.69085 135.414 -122.169 -108.848 -122.169 -86.0189 GPRESSURE: 4771000 131.134 -96.631 -94.8743 -67.382 103.857 -130.599 -97.6999 -225.075 -59.4514 PRESSAVG: 4771000 -15.0407 -60.6246 30.4953 -60.6246 -13.5719 -51.5133 30.4952 -51.5132 -6.94692 GPRESSAVG: 4771000 -16.2465 -62.2975 31.2405 -59.7695 -12.6444 -50.7829 28.8641 -54.8363 -6.49352 TIMING: 4771000 CPU: 14897.8, 0.0031024/step Wall: 14897.8, 0.0031024/step, 0.197347 hours remaining, 235.871094 MB of memory in use. ENERGY: 4771000 3978.7001 20528.6938 14350.0001 269.0581 -203079.1645 2600.9227 0.0000 0.0000 51784.2952 -109567.4945 297.6051 -161351.7898 -109220.8003 298.3784 35.5576 58.5131 763689.7036 -11.8532 -11.7948 PRESSURE: 4771200 -57.5835 -42.5974 -60.5626 -42.5978 207.594 114.471 -60.5626 114.47 -116.639 GPRESSURE: 4771200 21.9697 82.4225 -104.346 0.390452 281.956 33.5688 -64.122 172.513 -195.251 PRESSAVG: 4771200 -73.1048 -62.9795 8.05985 -62.9795 38.7175 5.52577 8.05987 5.52572 9.56245 GPRESSAVG: 4771200 -72.7824 -58.2463 7.89327 -64.2229 39.3005 2.90512 7.72155 7.91655 9.09827 TIMING: 4771200 CPU: 14898.5, 0.00311932/step Wall: 14898.5, 0.00311932/step, 0.19825 hours remaining, 235.871094 MB of memory in use. ENERGY: 4771200 4030.9842 20380.5255 14426.8396 237.4160 -203398.0160 2784.2853 0.0000 0.0000 51755.6870 -109782.2784 297.4406 -161537.9654 -109424.6434 297.9016 11.1237 36.2250 762797.1272 -8.2750 -8.1279 PRESSURE: 4771400 -562.695 166.641 -78.9779 166.641 32.7142 68.4984 -78.9781 68.4984 -124.051 GPRESSURE: 4771400 -503.606 115.066 50.5679 101.084 78.1254 15.398 -150.961 87.7515 -119.668 PRESSAVG: 4771400 -18.1999 -3.57761 -19.0464 -3.57761 10.8692 55.5264 -19.0463 55.5265 -0.0580613 GPRESSAVG: 4771400 -17.9598 -6.61814 -19.5795 -2.40632 11.0984 55.8254 -16.8306 56.3403 -0.374093 TIMING: 4771400 CPU: 14899.1, 0.00311472/step Wall: 14899.1, 0.00311472/step, 0.197785 hours remaining, 235.871094 MB of memory in use. ENERGY: 4771400 4062.5815 20377.5407 14421.1867 237.3409 -202756.0089 2409.8919 0.0000 0.0000 51874.6409 -109372.8263 298.1243 -161247.4672 -109013.2663 298.0121 -218.0105 -181.7162 762453.3246 -2.4629 -2.4118 PRESSURE: 4771600 197.785 5.80022 -303.767 5.80034 -138.687 206.239 -303.767 206.238 -1.3977 GPRESSURE: 4771600 216.363 32.6562 -251.841 -88.5187 -90.6104 93.4572 -268.373 121.951 33.0382 PRESSAVG: 4771600 4.42871 -22.4536 -12.7535 -22.4536 -13.2774 -20.0507 -12.7535 -20.0506 8.69729 GPRESSAVG: 4771600 4.83783 -22.2369 -13.4015 -24.7223 -13.9639 -18.1115 -14.9548 -21.7598 8.26493 TIMING: 4771600 CPU: 14899.7, 0.00309364/step Wall: 14899.7, 0.00309364/step, 0.196274 hours remaining, 235.871094 MB of memory in use. ENERGY: 4771600 4043.4056 20469.3421 14406.4610 258.8746 -202624.5711 2303.8082 0.0000 0.0000 51931.6786 -109211.0010 298.4521 -161142.6796 -108856.6701 298.9425 19.2334 52.9302 762088.5378 -0.0505 -0.2870 PRESSURE: 4771800 145.05 -90.816 -190.795 -90.8163 327.404 -69.1556 -190.795 -69.1551 211.167 GPRESSURE: 4771800 165.709 -66.3651 -227.102 -62.0001 360.368 -48.471 -50.7033 -16.9071 254.393 PRESSAVG: 4771800 -4.41245 -35.9458 -66.8256 -35.9458 36.2937 -20.1153 -66.8256 -20.1153 -2.83879 GPRESSAVG: 4771800 -5.11886 -34.8928 -65.0443 -34.707 35.4 -21.135 -63.6663 -20.1564 -1.13757 TIMING: 4771800 CPU: 14900.3, 0.00310148/step Wall: 14900.3, 0.00310148/step, 0.196599 hours remaining, 235.871094 MB of memory in use. ENERGY: 4771800 4012.1873 20523.7586 14418.3309 272.0952 -203441.9065 2786.1047 0.0000 0.0000 52286.4945 -109142.9353 300.4912 -161429.4299 -108793.7422 299.3844 227.8735 260.1564 761911.6748 9.6808 9.7145 PRESSURE: 4772000 45.803 -111.436 0.933183 -111.436 -38.1823 -211.741 0.933824 -211.741 -372.52 GPRESSURE: 4772000 -9.87522 -48.7507 109.293 48.0877 101.082 -183.35 -26.7649 -144.948 -379.974 PRESSAVG: 4772000 -22.6251 -50.7388 10.6348 -50.7389 28.7259 -21.8317 10.6348 -21.8317 -19.1297 GPRESSAVG: 4772000 -22.1134 -50.6019 9.30286 -50.536 28.5186 -19.372 8.49179 -22.0222 -19.2291 TIMING: 4772000 CPU: 14900.9, 0.00309698/step Wall: 14900.9, 0.00309698/step, 0.196142 hours remaining, 235.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4772000 3959.2684 20531.5991 14402.9371 238.1752 -203299.8758 2762.9103 0.0000 0.0000 52175.2326 -109229.7530 299.8518 -161404.9856 -108866.4679 299.8661 -121.6331 -96.2555 761551.5999 -4.3430 -4.2746 PRESSURE: 4772200 -107.222 93.4459 -136.156 93.4465 -103.428 -59.2517 -136.157 -59.2523 712.206 GPRESSURE: 4772200 -136.801 81.3106 -93.8674 81.8127 -41.4253 -150.248 -53.6811 -11.9085 777.664 PRESSAVG: 4772200 18.3455 30.1369 -25.1956 30.1369 -7.4212 -16.9739 -25.1955 -16.974 -0.115681 GPRESSAVG: 4772200 16.6854 28.9019 -23.7713 30.5306 -5.91365 -18.6029 -27.0406 -17.7754 0.402508 TIMING: 4772200 CPU: 14901.6, 0.00309472/step Wall: 14901.6, 0.00309472/step, 0.195827 hours remaining, 235.871094 MB of memory in use. ENERGY: 4772200 4023.2990 20533.6397 14495.9255 238.7848 -203193.4000 2600.4011 0.0000 0.0000 52023.6497 -109277.7003 298.9806 -161301.3500 -108916.8307 299.3461 167.1853 199.8126 761694.0592 3.6029 3.7247 LDB: ============= START OF LOAD BALANCING ============== 14914 LDB: ============== END OF LOAD BALANCING =============== 14914 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14914 LDB: ============= START OF LOAD BALANCING ============== 14914.4 LDB: Largest compute 7059 load 0.030689 is 15.7% of average load 0.195335 LDB: Average compute 0.004369 is 2.2% of average load 0.195335 LDB: TIME 14914.4 LOAD: AVG 0.195335 MAX 0.216405 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.59 MB LDB: TIME 14914.4 LOAD: AVG 0.195335 MAX 0.216405 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.703 MB LDB: TIME 14914.4 LOAD: AVG 0.195335 MAX 0.216405 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.703 MB LDB: ============== END OF LOAD BALANCING =============== 14914.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14914.4 PRESSURE: 4772400 64.0408 -8.88799 171.4 -8.88697 -159.362 -125.057 171.401 -125.058 26.9972 GPRESSURE: 4772400 136.248 -29.2552 157.335 -2.98278 -163.659 -146.225 228.531 -72.1651 60.7103 PRESSAVG: 4772400 2.14478 -9.23101 14.8636 -9.23104 -4.1748 -17.6332 14.8636 -17.6333 -19.8875 GPRESSAVG: 4772400 2.34077 -10.1589 14.061 -7.08077 -3.53622 -16.3845 14.7597 -17.5601 -20.8322 TIMING: 4772400 CPU: 14902.2, 0.00318338/step Wall: 14902.2, 0.00318339/step, 0.201261 hours remaining, 234.316406 MB of memory in use. ENERGY: 4772400 3870.5940 20723.3836 14373.0667 224.5071 -203027.5789 2652.8383 0.0000 0.0000 52021.9403 -109161.2489 298.9708 -161183.1892 -108798.6204 299.2246 -22.7748 11.0998 762511.6505 -7.3058 -7.3425 PRESSURE: 4772600 2.6647 -122.683 -4.54295 -122.682 -111.557 -187.075 -4.5432 -187.074 287.85 GPRESSURE: 4772600 19.0682 -111.242 65.3941 -93.7554 11.5293 -126.746 73.2485 -111.556 247.414 PRESSAVG: 4772600 -7.83854 -57.5126 -1.92348 -57.5126 25.6209 -64.5986 -1.92349 -64.5986 37.3574 GPRESSAVG: 4772600 -6.29932 -53.0463 -2.47631 -61.7257 25.4907 -65.7975 0.36366 -62.7597 36.6609 TIMING: 4772600 CPU: 14902.8, 0.00310508/step Wall: 14902.8, 0.00310508/step, 0.196138 hours remaining, 234.316406 MB of memory in use. ENERGY: 4772600 4049.6256 20434.1821 14347.6743 226.2313 -203548.1995 2923.5466 0.0000 0.0000 52532.3837 -109034.5559 301.9043 -161566.9395 -108660.5227 299.7082 59.6525 92.6705 762430.8352 18.3799 18.6174 PRESSURE: 4772800 277.319 -59.533 341.58 -59.5334 -234.159 -90.3606 341.58 -90.3604 34.3589 GPRESSURE: 4772800 245.016 -44.8824 310.866 -28.8776 -213.53 -2.7407 378.792 -114.27 122.763 PRESSAVG: 4772800 -29.1118 -37.8591 -18.7154 -37.859 8.13292 -15.1494 -18.7154 -15.1494 -12.3544 GPRESSAVG: 4772800 -30.174 -40.2031 -20.1607 -34.8889 7.77717 -14.8874 -17.6301 -17.1421 -11.3598 TIMING: 4772800 CPU: 14903.4, 0.00312566/step Wall: 14903.4, 0.00312566/step, 0.197264 hours remaining, 234.386719 MB of memory in use. ENERGY: 4772800 3964.1949 20726.2785 14420.9400 259.8104 -203038.8058 2595.6637 0.0000 0.0000 52228.0815 -108843.8369 300.1555 -161071.9184 -108478.1962 299.6862 25.8394 51.4164 763822.8500 -11.1111 -11.2522 PRESSURE: 4773000 -302.845 42.372 124.558 42.373 447.335 -10.7873 124.557 -10.7877 -366.875 GPRESSURE: 4773000 -225.4 -5.40019 98.0287 15.7312 400.143 20.888 66.135 -85.4818 -331.983 PRESSAVG: 4773000 -60.0475 -18.8676 46.7908 -18.8676 71.2974 -28.9659 46.7907 -28.9659 -16.3465 GPRESSAVG: 4773000 -60.1042 -18.5777 48.902 -20.545 70.2154 -29.218 45.6279 -29.0953 -15.7114 TIMING: 4773000 CPU: 14904.1, 0.00311127/step Wall: 14904.1, 0.00311127/step, 0.196183 hours remaining, 234.386719 MB of memory in use. ENERGY: 4773000 3999.3790 20646.6264 14439.1604 235.5364 -203261.2396 2838.7160 0.0000 0.0000 52049.8428 -109051.9786 299.1312 -161101.8214 -108689.5487 299.8001 -74.1281 -52.4135 762740.8047 -1.6989 -1.8667 PRESSURE: 4773200 477.569 -42.18 -272.714 -42.1797 239.114 -63.8696 -272.713 -63.8707 241.972 GPRESSURE: 4773200 593.556 -57.7753 -278.004 -59.1843 163.193 -76.1948 -247.174 -25.2499 277.116 PRESSAVG: 4773200 -42.0613 -24.7936 16.7724 -24.7936 7.24524 -35.5099 16.7724 -35.51 -3.58411 GPRESSAVG: 4773200 -41.6359 -23.5984 15.7728 -24.5408 6.9586 -35.0919 15.9812 -34.4613 -3.79329 TIMING: 4773200 CPU: 14904.7, 0.00310875/step Wall: 14904.7, 0.00310875/step, 0.195851 hours remaining, 234.386719 MB of memory in use. ENERGY: 4773200 3876.1596 20732.6869 14451.5307 253.0892 -203036.4682 2656.8869 0.0000 0.0000 52067.5113 -108998.6037 299.2327 -161066.1150 -108637.7751 300.1351 319.5516 344.6216 764078.1974 -12.8000 -12.8235 PRESSURE: 4773400 -187.563 -27.3918 15.8692 -27.391 -140.081 -22.0491 15.8689 -22.0496 -108.032 GPRESSURE: 4773400 -144.278 -54.2003 36.4893 -26.3808 -145.756 -80.2137 -49.4331 32.5835 -65.8619 PRESSAVG: 4773400 32.8794 -5.62363 35.9584 -5.62368 26.6301 1.95187 35.9585 1.95191 -1.47984 GPRESSAVG: 4773400 32.9461 -8.2535 35.7426 -4.13534 27.4866 1.98229 36.9466 1.45611 -2.5414 TIMING: 4773400 CPU: 14905.3, 0.0031165/step Wall: 14905.3, 0.0031165/step, 0.196166 hours remaining, 234.386719 MB of memory in use. ENERGY: 4773400 3994.8236 20571.1573 14451.8805 256.2830 -203204.4611 2762.1815 0.0000 0.0000 52156.3361 -109011.7992 299.7432 -161168.1353 -108643.3660 299.8503 -145.2252 -118.6322 764122.0783 19.3432 19.2971 PRESSURE: 4773600 -198.281 116.275 60.7654 116.274 -138.359 146.059 60.7662 146.06 -305.32 GPRESSURE: 4773600 -137.092 56.4722 44.7167 103.026 -128.442 123.636 21.6899 184.618 -294.702 PRESSAVG: 4773600 -8.74927 20.3401 -15.7088 20.3402 -11.0019 -15.109 -15.7088 -15.109 13.0443 GPRESSAVG: 4773600 -8.52888 22.3375 -16.9727 17.997 -10.7266 -14.3828 -13.6582 -15.2227 13.2147 TIMING: 4773600 CPU: 14905.9, 0.00312108/step Wall: 14905.9, 0.00312108/step, 0.196281 hours remaining, 234.386719 MB of memory in use. ENERGY: 4773600 4094.5235 20608.4385 14377.3526 240.6054 -203057.4665 2599.7962 0.0000 0.0000 52122.4072 -109014.3431 299.5482 -161136.7504 -108646.4209 299.6983 -213.9866 -186.7456 763883.7801 -2.2356 -2.0136 PRESSURE: 4773800 -286.408 79.5312 -73.5944 79.5318 185.471 24.7034 -73.595 24.7029 121.44 GPRESSURE: 4773800 -222.389 5.13997 -55.4032 46.6807 214.236 7.859 44.5157 135.303 94.9545 PRESSAVG: 4773800 -54.5218 45.7516 5.9496 45.7515 47.0717 -24.3798 5.94961 -24.3797 16.7559 GPRESSAVG: 4773800 -54.1048 42.7921 7.0141 46.3637 46.1377 -25.6808 3.70582 -20.92 16.9668 TIMING: 4773800 CPU: 14906.6, 0.00312007/step Wall: 14906.6, 0.00312006/step, 0.196044 hours remaining, 234.589844 MB of memory in use. ENERGY: 4773800 4069.6646 20630.8311 14466.5116 244.4121 -203216.8160 3091.0655 0.0000 0.0000 51769.1567 -108945.1744 297.5181 -160714.3311 -108572.1161 299.7069 6.8346 28.9339 763546.1997 3.1019 2.9999 PRESSURE: 4774000 -298.455 -97.1469 115.397 -97.1471 13.583 -193.992 115.398 -193.991 -102.999 GPRESSURE: 4774000 -212.89 -74.3308 107.572 -77.3643 -4.93017 -226.126 191.012 -185.271 -76.4694 PRESSAVG: 4774000 28.8977 41.2749 -7.32929 41.2749 10.0735 -27.4038 -7.32931 -27.4038 10.6485 GPRESSAVG: 4774000 28.8861 44.0092 -8.27845 40.8199 9.90609 -26.6245 -5.38782 -28.9523 11.3512 TIMING: 4774000 CPU: 14907.2, 0.00309868/step Wall: 14907.2, 0.00309868/step, 0.194528 hours remaining, 234.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4774000 4027.5587 20507.3553 14371.1365 244.7418 -203276.9686 2827.1431 0.0000 0.0000 52292.5624 -109006.4708 300.5261 -161299.0332 -108644.1952 299.2595 -129.2901 -98.0964 764003.7856 16.5399 16.7145 PRESSURE: 4774200 91.1365 19.1649 -73.8649 19.165 80.3971 -493.905 -73.865 -493.906 -111.746 GPRESSURE: 4774200 144.299 -12.5791 -89.7071 76.1008 93.6095 -460.786 19.2051 -359.424 -105.594 PRESSAVG: 4774200 -41.3339 15.3492 69.2216 15.3492 49.1904 -52.3142 69.2215 -52.3142 6.56283 GPRESSAVG: 4774200 -41.8547 14.1914 70.4901 19.3144 50.2107 -51.14 68.6882 -53.8144 6.60749 TIMING: 4774200 CPU: 14907.8, 0.00310471/step Wall: 14907.8, 0.00310471/step, 0.194734 hours remaining, 234.589844 MB of memory in use. ENERGY: 4774200 3937.6134 20619.7455 14490.6854 245.8376 -203603.1135 3025.9888 0.0000 0.0000 52451.7089 -108831.5339 301.4407 -161283.2428 -108476.7585 299.9856 19.9292 44.1049 762920.3539 4.8064 4.9878 PRESSURE: 4774400 -155.694 147.609 -26.34 147.609 186.709 28.5416 -26.3398 28.5416 -133.994 GPRESSURE: 4774400 -224.461 97.3807 82.6912 62.6196 260.239 65.0932 -49.9549 -1.34002 -57.4357 PRESSAVG: 4774400 -45.4449 6.51857 51.6163 6.51856 49.9826 -41.4446 51.6164 -41.4446 -19.1654 GPRESSAVG: 4774400 -45.3226 5.63267 51.3769 3.10557 50.4819 -41.9277 51.7321 -41.1648 -19.8303 TIMING: 4774400 CPU: 14908.4, 0.00310615/step Wall: 14908.4, 0.00310615/step, 0.194652 hours remaining, 234.589844 MB of memory in use. ENERGY: 4774400 4013.5040 20538.1447 14453.2941 248.7907 -202847.6898 2787.6769 0.0000 0.0000 52086.4500 -108719.8295 299.3415 -160806.2795 -108356.7761 300.1568 -34.3265 -7.2193 763667.5636 -4.8759 -4.8903 PRESSURE: 4774600 -37.4543 -1.52845 191.865 -1.52881 160.952 93.4081 191.865 93.408 -125.067 GPRESSURE: 4774600 -155.281 123.867 198.342 18.2173 233.686 154.718 44.7996 88.9416 3.83986 PRESSAVG: 4774600 -55.411 4.19017 40.5807 4.19017 72.7562 -13.1064 40.5808 -13.1064 12.0601 GPRESSAVG: 4774600 -56.5276 5.57517 41.7994 4.18713 73.0369 -14.1981 38.6847 -11.2959 12.531 TIMING: 4774600 CPU: 14909, 0.00311427/step Wall: 14909, 0.00311427/step, 0.194988 hours remaining, 234.589844 MB of memory in use. ENERGY: 4774600 4043.3877 20473.2032 14406.1096 262.1947 -202939.3488 2922.0086 0.0000 0.0000 52115.6797 -108716.7653 299.5095 -160832.4449 -108356.1926 300.0038 -0.5231 27.4149 766049.1521 9.8017 9.6801 PRESSURE: 4774800 -174.252 -95.1742 -138.76 -95.1747 160.288 185.476 -138.761 185.474 200.536 GPRESSURE: 4774800 -81.5551 -84.5016 -118.446 -49.0197 179.018 193.769 -37.2699 59.3885 184.121 PRESSAVG: 4774800 -29.5925 37.8055 43.4866 37.8056 44.8368 -26.6501 43.4866 -26.6501 -14.2625 GPRESSAVG: 4774800 -28.3552 38.6203 42.3762 38.6346 44.5145 -24.3365 44.15 -29.4567 -14.5848 TIMING: 4774800 CPU: 14909.7, 0.00309311/step Wall: 14909.7, 0.00309311/step, 0.193491 hours remaining, 234.589844 MB of memory in use. ENERGY: 4774800 4009.4365 20583.3973 14398.8680 244.1316 -202960.6603 2694.6726 0.0000 0.0000 52357.9179 -108672.2364 300.9017 -161030.1544 -108301.3855 300.4920 62.1908 93.8610 763391.8570 0.3273 0.5248 PRESSURE: 4775000 45.5166 110.373 72.4956 110.372 -76.2132 -150.187 72.4961 -150.187 -179.525 GPRESSURE: 4775000 -8.27798 95.8949 28.8615 79.8265 -13.3148 -94.7263 91.1647 -122.234 -113.832 PRESSAVG: 4775000 3.5468 10.6577 4.09531 10.6577 41.2774 68.1902 4.09527 68.1901 -0.352921 GPRESSAVG: 4775000 2.88881 10.2336 4.42864 11.2661 41.279 66.5146 5.44423 68.9501 0.387928 TIMING: 4775000 CPU: 14910.3, 0.00311517/step Wall: 14910.3, 0.00311517/step, 0.194698 hours remaining, 234.589844 MB of memory in use. ENERGY: 4775000 3965.1558 20561.7768 14451.1697 268.6074 -202856.0456 2587.2743 0.0000 0.0000 52466.3510 -108555.7107 301.5248 -161022.0616 -108189.4283 300.6707 -70.0740 -45.1415 764356.0685 14.8238 14.8519 PRESSURE: 4775200 79.3215 152.735 -228.28 152.736 -98.5559 18.8927 -228.28 18.8924 -157.019 GPRESSURE: 4775200 40.1303 112.74 -214.331 145.432 -10.6896 109.945 -197.793 -226.063 -128.553 PRESSAVG: 4775200 21.4755 8.84142 14.7611 8.84138 -21.9416 -17.5345 14.7611 -17.5345 0.310186 GPRESSAVG: 4775200 21.4599 6.95869 14.696 9.30332 -21.3285 -15.697 12.8756 -17.1552 -0.894341 TIMING: 4775200 CPU: 14910.9, 0.00312037/step Wall: 14910.9, 0.00312037/step, 0.19485 hours remaining, 234.589844 MB of memory in use. ENERGY: 4775200 4011.5300 20481.0245 14447.3473 256.3117 -203153.2296 2601.3881 0.0000 0.0000 52471.9429 -108883.6849 301.5570 -161355.6279 -108515.7544 300.5295 -58.7511 -33.0376 763355.1989 -0.0520 -0.2543 PRESSURE: 4775400 14.9732 -191.154 54.2342 -191.155 -167.164 -87.6152 54.2334 -87.6155 -48.5471 GPRESSURE: 4775400 10.533 -121.667 -33.0661 -234.666 -117.325 -128.156 121.571 -51.3171 -11.8569 PRESSAVG: 4775400 40.5663 -50.6514 -3.44571 -50.6514 -32.6519 -24.3318 -3.44573 -24.3317 0.245124 GPRESSAVG: 4775400 40.6892 -48.9908 -4.00635 -51.7264 -33.1148 -25.7697 -4.10278 -23.2488 0.58612 TIMING: 4775400 CPU: 14911.5, 0.00311133/step Wall: 14911.5, 0.00311133/step, 0.194113 hours remaining, 234.589844 MB of memory in use. ENERGY: 4775400 3999.7411 20608.3750 14354.6815 249.5377 -203370.3455 2970.3077 0.0000 0.0000 52093.3453 -109094.3571 299.3812 -161187.7024 -108745.8954 299.6918 -66.9126 -39.5497 763191.8742 2.7198 2.7202 PRESSURE: 4775600 335.493 -95.1618 18.9203 -95.1618 163.211 -44.1508 18.9196 -44.1505 313.886 GPRESSURE: 4775600 414.752 -111.712 75.8788 34.0445 214.926 -104.173 147.979 -0.716389 289.711 PRESSAVG: 4775600 -14.1867 -22.7542 -29.2213 -22.7543 -21.3207 -35.8029 -29.2214 -35.8029 -18.3276 GPRESSAVG: 4775600 -14.8366 -21.5384 -28.7489 -21.8176 -20.4493 -34.6376 -27.4331 -37.326 -18.0241 TIMING: 4775600 CPU: 14912.2, 0.00311938/step Wall: 14912.2, 0.00311938/step, 0.194442 hours remaining, 234.589844 MB of memory in use. ENERGY: 4775600 4013.6740 20458.0165 14400.2164 236.8342 -203109.5747 2812.7142 0.0000 0.0000 52092.2348 -109095.8844 299.3748 -161188.1193 -108733.3732 299.6894 270.8632 306.4629 764162.6905 -17.9450 -17.7700 PRESSURE: 4775800 125.248 -15.8244 26.6799 -15.8245 -44.9749 8.69223 26.6799 8.69272 -116.783 GPRESSURE: 4775800 77.7227 40.6054 -4.76367 29.2078 -32.9001 -23.9272 -35.695 -47.8991 -11.2813 PRESSAVG: 4775800 -25.4429 10.4985 -29.2382 10.4986 38.9083 -48.7504 -29.2383 -48.7503 18.1609 GPRESSAVG: 4775800 -23.7305 11.4157 -29.9629 9.28738 36.2815 -50.5389 -28.0235 -47.5083 18.2315 TIMING: 4775800 CPU: 14912.8, 0.00310936/step Wall: 14912.8, 0.00310936/step, 0.193644 hours remaining, 234.589844 MB of memory in use. ENERGY: 4775800 4058.5840 20420.1460 14428.6699 230.4152 -202918.5921 2465.2849 0.0000 0.0000 52206.0508 -109109.4413 300.0289 -161315.4921 -108744.7939 299.7378 -12.1700 11.1804 765834.2202 10.5421 10.2608 PRESSURE: 4776000 230.105 50.2821 -150.408 50.281 84.1501 -185.468 -150.408 -185.468 -189.068 GPRESSURE: 4776000 268.501 206.875 -45.6461 -86.8637 141.82 -35.4965 -239.809 -210.791 -196.269 PRESSAVG: 4776000 -41.2958 -23.6427 -15.2647 -23.6427 -4.65616 7.71522 -15.2647 7.71527 10.2317 GPRESSAVG: 4776000 -42.9306 -23.6425 -15.8712 -21.8735 -3.18779 9.56031 -16.1123 4.73933 9.78277 TIMING: 4776000 CPU: 14913.4, 0.00310945/step Wall: 14913.4, 0.00310944/step, 0.193477 hours remaining, 234.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4776000 3966.3618 20553.2750 14369.6199 249.9622 -203219.4056 3002.7782 0.0000 0.0000 51952.2309 -109125.1775 298.5702 -161077.4084 -108767.3247 299.1818 41.7289 71.3508 765548.1635 -11.9068 -12.1119 PRESSURE: 4776200 56.8699 20.5826 -36.9575 20.5826 -505.226 -92.2316 -36.9568 -92.2308 -36.7612 GPRESSURE: 4776200 74.0035 -48.99 -93.5538 -23.6466 -465.665 -134.434 -68.756 76.3516 -10.0606 PRESSAVG: 4776200 -3.02325 18.7085 -38.7951 18.7085 15.1876 28.1256 -38.795 28.1256 -3.15591 GPRESSAVG: 4776200 -3.09299 17.3714 -38.6823 16.978 15.9486 26.1141 -41.2521 33.6814 -3.21342 TIMING: 4776200 CPU: 14914, 0.00311721/step Wall: 14914, 0.00311721/step, 0.193786 hours remaining, 234.589844 MB of memory in use. ENERGY: 4776200 3989.7637 20559.1644 14424.6830 249.2028 -203245.8067 2831.4782 0.0000 0.0000 52184.9622 -109006.5524 299.9077 -161191.5146 -108650.9912 299.9803 -161.7058 -133.9075 764933.8020 3.0028 3.2141 LDB: ============= START OF LOAD BALANCING ============== 14926.5 LDB: ============== END OF LOAD BALANCING =============== 14926.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14926.5 LDB: ============= START OF LOAD BALANCING ============== 14926.8 LDB: Largest compute 7027 load 0.030602 is 15.7% of average load 0.195295 LDB: Average compute 0.004381 is 2.2% of average load 0.195295 LDB: TIME 14926.8 LOAD: AVG 0.195295 MAX 0.214875 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 236.441 MB LDB: TIME 14926.8 LOAD: AVG 0.195295 MAX 0.214875 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.645 MB LDB: TIME 14926.8 LOAD: AVG 0.195295 MAX 0.214875 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.645 MB LDB: ============== END OF LOAD BALANCING =============== 14926.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14926.8 PRESSURE: 4776400 -54.9629 31.2638 -251.197 31.2633 283.521 131.452 -251.197 131.452 -454.439 GPRESSURE: 4776400 69.824 54.1282 -143.237 -8.51278 245.145 124.893 -261.744 -7.81436 -438.095 PRESSAVG: 4776400 -9.04743 33.6646 -11.8252 33.6646 42.2352 2.95862 -11.8252 2.95857 3.79017 GPRESSAVG: 4776400 -8.26119 35.7994 -11.4469 34.7915 42.1121 4.25407 -10.2309 0.829165 3.25595 TIMING: 4776400 CPU: 14914.7, 0.00316654/step Wall: 14914.7, 0.00316654/step, 0.196678 hours remaining, 235.031250 MB of memory in use. ENERGY: 4776400 4020.3933 20496.1555 14514.8839 256.2871 -203179.7428 2842.6920 0.0000 0.0000 51972.6590 -109076.6720 298.6876 -161049.3310 -108722.4504 300.1309 -75.2937 -41.0418 763813.5201 12.3260 12.3690 PRESSURE: 4776600 6.98389 28.2783 33.6834 28.278 -42.0024 -38.6654 33.6827 -38.6653 185.991 GPRESSURE: 4776600 -36.0553 93.3351 51.6998 1.73194 23.2131 -17.9809 0.104892 -91.8533 240.173 PRESSAVG: 4776600 -44.5047 42.2107 -40.3128 42.2107 49.0961 -11.5963 -40.3127 -11.5963 -12.205 GPRESSAVG: 4776600 -44.4788 39.8886 -40.9297 42.0293 48.5831 -12.2977 -40.1387 -13.2306 -11.87 TIMING: 4776600 CPU: 14915.3, 0.00311049/step Wall: 14915.3, 0.00311049/step, 0.193023 hours remaining, 235.234375 MB of memory in use. ENERGY: 4776600 3990.4075 20443.3300 14465.4470 246.3063 -203326.4701 2992.2710 0.0000 0.0000 52288.7209 -108899.9874 300.5040 -161188.7082 -108533.1523 299.5726 50.3243 75.7770 765389.7183 -2.5379 -2.5885 PRESSURE: 4776800 87.9813 -5.0708 -235.24 -5.07086 47.6253 -15.9759 -235.241 -15.9758 232.583 GPRESSURE: 4776800 79.4239 82.3579 -216.653 -9.01332 130.712 38.3878 -161.312 -34.7073 219.863 PRESSAVG: 4776800 -20.5307 -8.60506 -48.2545 -8.60506 40.3618 -6.75488 -48.2545 -6.75492 12.7381 GPRESSAVG: 4776800 -21.5514 -6.94581 -47.6021 -9.22394 40.7174 -5.45722 -48.3685 -5.99099 12.8562 TIMING: 4776800 CPU: 14915.9, 0.00311902/step Wall: 14915.9, 0.00311902/step, 0.193379 hours remaining, 235.234375 MB of memory in use. ENERGY: 4776800 3981.5153 20474.9813 14459.1529 233.0621 -203542.4441 3082.6120 0.0000 0.0000 52399.5279 -108911.5926 301.1408 -161311.1205 -108547.1354 299.6428 122.7298 143.3331 765210.5064 10.8564 10.6741 PRESSURE: 4777000 -182.542 -45.7075 -111.004 -45.7085 -120.862 100.687 -111.004 100.687 -141.931 GPRESSURE: 4777000 -150.36 -66.7567 -138.651 -144.473 -145.131 86.19 -86.0674 70.4584 -51.8998 PRESSAVG: 4777000 -44.0758 -7.98391 -42.8669 -7.98394 67.6076 -48.7522 -42.8669 -48.7522 -18.6383 GPRESSAVG: 4777000 -44.4894 -7.93634 -45.713 -6.44512 68.4514 -50.6082 -40.4874 -46.878 -19.0146 TIMING: 4777000 CPU: 14916.5, 0.00311737/step Wall: 14916.5, 0.00311737/step, 0.193104 hours remaining, 235.234375 MB of memory in use. ENERGY: 4777000 4064.4094 20564.7687 14427.3441 237.5996 -203124.4523 2774.0166 0.0000 0.0000 51925.4618 -109130.8522 298.4163 -161056.3140 -108777.6361 299.7671 -148.4448 -115.7968 764315.2662 1.6312 1.6491 PRESSURE: 4777200 -431.413 -159.979 -41.4204 -159.979 14.9296 -212.425 -41.421 -212.426 -542.25 GPRESSURE: 4777200 -298.363 -56.5826 -16.6273 -218.8 -88.5398 -205.676 -104.037 -173.034 -480.888 PRESSAVG: 4777200 10.7204 -13.0871 -69.4548 -13.087 44.335 -13.2898 -69.4548 -13.2897 -23.8307 GPRESSAVG: 4777200 11.6852 -14.6942 -67.1445 -14.1082 43.5435 -12.1195 -72.2723 -14.0144 -24.1435 TIMING: 4777200 CPU: 14917.2, 0.00310745/step Wall: 14917.2, 0.00310745/step, 0.192317 hours remaining, 235.437500 MB of memory in use. ENERGY: 4777200 4026.6230 20492.2905 14494.5722 258.7965 -203105.9020 2707.7706 0.0000 0.0000 51935.6035 -109190.2457 298.4746 -161125.8492 -108825.5003 299.3449 -319.5780 -289.2634 765265.1238 10.4082 10.3617 PRESSURE: 4777400 -608.071 148.823 48.5138 148.822 -103.666 4.60718 48.5145 4.60808 -570.184 GPRESSURE: 4777400 -531.249 101.765 58.5943 185.983 -136.724 -1.29298 48.7753 -83.8479 -552.248 PRESSAVG: 4777400 53.0038 15.325 33.1461 15.325 -15.1228 -5.46196 33.1461 -5.46191 -1.34955 GPRESSAVG: 4777400 53.3562 13.2964 33.2744 16.2389 -15.1307 -4.52704 35.6168 -7.79841 -1.84934 TIMING: 4777400 CPU: 14917.8, 0.00311058/step Wall: 14917.8, 0.00311058/step, 0.192337 hours remaining, 235.437500 MB of memory in use. ENERGY: 4777400 4079.5356 20507.0945 14495.0580 226.4643 -203142.3232 2702.7503 0.0000 0.0000 51985.6351 -109145.7854 298.7622 -161131.4205 -108792.4477 299.2467 -427.3071 -406.7403 764569.9427 12.1772 12.1254 PRESSURE: 4777600 -218.631 -52.3907 162.291 -52.3904 120.73 293.907 162.292 293.908 -222.102 GPRESSURE: 4777600 -306.912 43.3758 123.199 -138.717 196.867 230.644 166.97 239.147 -132.654 PRESSAVG: 4777600 -28.0517 51.4684 55.7032 51.4685 33.2846 -34.0158 55.7031 -34.0158 -11.534 GPRESSAVG: 4777600 -29.8313 55.1835 55.5265 50.6624 34.3383 -34.8686 54.081 -32.7242 -10.8926 TIMING: 4777600 CPU: 14918.4, 0.00310958/step Wall: 14918.4, 0.00310958/step, 0.192103 hours remaining, 235.437500 MB of memory in use. ENERGY: 4777600 4040.8712 20686.3970 14472.1569 236.3807 -203641.7367 2988.6171 0.0000 0.0000 51800.0207 -109417.2931 297.6954 -161217.3138 -109059.8921 299.0211 -106.6679 -80.8997 763339.7002 -2.1004 -2.1285 PRESSURE: 4777800 -254.467 -75.2501 -10.3128 -75.2497 -152.129 -52.8828 -10.3133 -52.8831 -625.83 GPRESSURE: 4777800 -229.292 -67.6609 -85.6752 60.3373 -192.66 -83.9105 -68.7785 42.4957 -542.806 PRESSAVG: 4777800 -67.455 3.74457 -3.66771 3.74458 54.1334 -32.5685 -3.66771 -32.5685 -12.0621 GPRESSAVG: 4777800 -66.476 0.805383 -3.29527 5.73049 53.2621 -33.2125 -3.77757 -31.7824 -12.2546 TIMING: 4777800 CPU: 14919, 0.00311864/step Wall: 14919, 0.00311864/step, 0.192489 hours remaining, 235.437500 MB of memory in use. ENERGY: 4777800 3989.0637 20434.6336 14459.5678 249.7451 -203341.3435 2516.7926 0.0000 0.0000 51954.5542 -109736.9865 298.5835 -161691.5407 -109368.6522 298.3471 -344.1420 -321.5862 763468.5559 -8.4612 -8.4895 PRESSURE: 4778000 -36.6438 116.986 74.7146 116.986 -155.266 156.338 74.7146 156.338 161.304 GPRESSURE: 4778000 -38.4937 59.4897 -6.35743 200.132 -71.4798 150.925 -40.5165 156.327 151.147 PRESSAVG: 4778000 -35.8561 6.37668 -0.211464 6.37664 56.4065 2.35129 -0.211404 2.35124 4.49212 GPRESSAVG: 4778000 -36.0817 6.00098 -0.933379 5.31042 56.5785 2.22929 -0.110327 1.83717 4.1412 TIMING: 4778000 CPU: 14919.6, 0.00309594/step Wall: 14919.6, 0.00309594/step, 0.190916 hours remaining, 235.437500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4778000 3895.1769 20435.1869 14362.9172 255.3238 -203643.7248 2807.1971 0.0000 0.0000 51895.1253 -109992.7977 298.2420 -161887.9230 -109622.4771 298.1011 -10.2019 13.7244 762417.1293 8.3475 8.2127 PRESSURE: 4778200 -104.301 -19.44 -81.5932 -19.4388 -63.95 -82.5644 -81.594 -82.5633 -49.0043 GPRESSURE: 4778200 -38.1188 -3.07441 -97.8712 -18.34 -67.5895 -146.693 -78.2049 -94.1371 -16.2277 PRESSAVG: 4778200 25.4214 34.7286 -11.655 34.7286 -23.297 15.2241 -11.6549 15.2241 -27.0485 GPRESSAVG: 4778200 24.0383 34.9582 -10.4847 33.8789 -23.3123 15.6638 -12.4249 15.3932 -25.6011 TIMING: 4778200 CPU: 14920.3, 0.00311548/step Wall: 14920.3, 0.00311548/step, 0.191948 hours remaining, 235.437500 MB of memory in use. ENERGY: 4778200 3994.6534 20529.7971 14413.8395 239.1896 -203071.4757 2553.9141 0.0000 0.0000 51505.7701 -109834.3119 296.0044 -161340.0819 -109480.2080 297.5699 -72.4183 -40.6453 762663.8377 -8.3080 -8.2917 PRESSURE: 4778400 246.459 22.7418 -8.99739 22.7413 78.9093 82.5073 -8.99827 82.5074 63.8995 GPRESSURE: 4778400 315.843 129.501 -63.6653 96.3961 57.6439 35.567 64.2266 323.306 91.6617 PRESSAVG: 4778400 2.0969 47.2045 1.65126 47.2044 -7.45032 1.4223 1.6513 1.42232 37.0502 GPRESSAVG: 4778400 3.04339 48.2018 0.698847 49.3678 -7.93516 0.542655 3.63393 4.58967 36.0609 TIMING: 4778400 CPU: 14920.9, 0.0031056/step Wall: 14920.9, 0.0031056/step, 0.191167 hours remaining, 235.437500 MB of memory in use. ENERGY: 4778400 4049.6195 20263.6442 14422.7025 251.9145 -203774.8952 2933.6558 0.0000 0.0000 52084.9063 -109768.4524 299.3327 -161853.3586 -109403.7634 298.1494 129.7560 155.0495 762241.3338 10.5656 10.3897 PRESSURE: 4778600 -102.918 62.5671 231.226 62.5665 -278.268 13.9519 231.227 13.9516 -248.614 GPRESSURE: 4778600 -211.007 117.752 153.995 124.181 -137.436 -38.2853 194.985 -13.8657 -208.874 PRESSAVG: 4778600 24.4952 28.1834 79.162 28.1834 0.947365 23.4415 79.1621 23.4416 -13.6728 GPRESSAVG: 4778600 23.5997 28.0735 78.8257 27.1724 2.65999 24.523 78.9631 20.5389 -14.2467 TIMING: 4778600 CPU: 14921.5, 0.00309835/step Wall: 14921.5, 0.00309835/step, 0.190548 hours remaining, 235.425781 MB of memory in use. ENERGY: 4778600 3989.0727 20743.7992 14425.8275 232.6524 -203308.0423 2490.5302 0.0000 0.0000 51929.4573 -109496.7031 298.4393 -161426.1604 -109143.9185 298.4433 -209.9334 -185.7724 764706.2209 3.9232 4.0043 PRESSURE: 4778800 51.6891 -99.0907 49.3344 -99.0897 184.848 56.7035 49.3341 56.7036 186.63 GPRESSURE: 4778800 140.051 -56.2897 96.4642 -58.1598 171.834 12.3991 98.1087 -26.1671 191.582 PRESSAVG: 4778800 3.24278 -19.8126 -4.3802 -19.8126 -43.2158 -43.6103 -4.38025 -43.6103 7.02255 GPRESSAVG: 4778800 3.64545 -18.6509 -1.91927 -19.6882 -43.5525 -43.7431 -6.62447 -44.1221 7.37271 TIMING: 4778800 CPU: 14922.1, 0.00310102/step Wall: 14922.1, 0.00310102/step, 0.190541 hours remaining, 235.425781 MB of memory in use. ENERGY: 4778800 3981.8960 20501.2251 14474.7264 252.9312 -203649.0576 3100.1606 0.0000 0.0000 52063.6013 -109274.5172 299.2102 -161338.1184 -108913.0008 299.1044 141.0555 167.8222 764339.7004 -10.9835 -10.8448 PRESSURE: 4779000 278.456 -18.6656 -30.1775 -18.6657 185.7 46.1489 -30.1778 46.1481 454.574 GPRESSURE: 4779000 341.505 -18.4656 -117.38 8.31278 201.191 -2.56061 96.0337 47.7231 441.015 PRESSAVG: 4779000 -12.4645 -22.0611 65.8063 -22.0611 -10.1236 29.8889 65.8063 29.8889 9.76686 GPRESSAVG: 4779000 -11.7102 -22.5566 65.5501 -23.8842 -11.3262 29.2277 65.567 30.3348 10.2692 TIMING: 4779000 CPU: 14922.7, 0.00312814/step Wall: 14922.7, 0.00312814/step, 0.192033 hours remaining, 235.425781 MB of memory in use. ENERGY: 4779000 4012.2738 20580.3079 14453.5042 239.0068 -203554.4347 2992.9653 0.0000 0.0000 51972.9863 -109303.3904 298.6895 -161276.3767 -108939.7825 298.7384 306.2434 327.9039 763257.9472 -4.2737 -4.2557 PRESSURE: 4779200 21.3891 -18.6266 236.635 -18.6262 50.0917 -105.617 236.634 -105.618 -340.577 GPRESSURE: 4779200 61.8869 -8.31307 264.289 -5.64368 43.3374 -71.4029 237.934 -128.675 -292.647 PRESSAVG: 4779200 8.83402 38.2884 10.919 38.2884 -4.72475 -12.4084 10.9191 -12.4085 38.5341 GPRESSAVG: 4779200 9.28311 37.5251 11.1066 38.0977 -5.19863 -12.1045 12.0941 -11.7888 38.3321 TIMING: 4779200 CPU: 14923.4, 0.00313692/step Wall: 14923.4, 0.00313692/step, 0.192398 hours remaining, 235.437500 MB of memory in use. ENERGY: 4779200 3974.8953 20424.5328 14467.0810 227.5572 -203266.2495 2731.2607 0.0000 0.0000 52033.8790 -109407.0436 299.0394 -161440.9226 -109043.2372 298.9023 -89.6989 -62.4743 763369.2012 14.2145 14.1388 PRESSURE: 4779400 -64.606 112.623 145.649 112.623 0.386887 168.245 145.649 168.244 -0.220394 GPRESSURE: 4779400 20.8075 92.6146 172.676 125.372 -86.4849 183.292 51.0226 164.973 74.4885 PRESSAVG: 4779400 33.1208 33.9361 19.772 33.936 9.50137 27.7825 19.772 27.7825 -19.0606 GPRESSAVG: 4779400 33.3906 32.7378 18.2904 35.8621 9.15933 28.9356 18.7525 27.1252 -18.9033 TIMING: 4779400 CPU: 14924, 0.00315641/step Wall: 14924, 0.00315641/step, 0.193418 hours remaining, 235.437500 MB of memory in use. ENERGY: 4779400 4001.6766 20565.8244 14499.4707 261.9432 -203281.5453 2598.6236 0.0000 0.0000 51859.6150 -109494.3917 298.0379 -161354.0067 -109130.1090 298.4263 -21.4798 2.9370 763128.2607 7.8539 7.8822 PRESSURE: 4779600 -160.556 164.603 -38.1558 164.603 -476.33 2.4127 -38.1544 2.4133 -469.42 GPRESSURE: 4779600 -117.111 83.178 -55.4611 34.5948 -405.573 -2.6297 -0.721187 97.8149 -485.473 PRESSAVG: 4779600 -2.61022 42.097 29.6943 42.0969 -3.43575 25.8582 29.6943 25.8583 16.1483 GPRESSAVG: 4779600 -2.66991 43.6958 29.2789 40.8331 -3.27191 25.0061 32.7812 25.6381 16.2264 TIMING: 4779600 CPU: 14924.6, 0.00311784/step Wall: 14924.6, 0.00311784/step, 0.190881 hours remaining, 235.437500 MB of memory in use. ENERGY: 4779600 3989.3569 20677.3993 14403.6856 248.1135 -203664.0768 2822.5348 0.0000 0.0000 52071.2264 -109451.7603 299.2541 -161522.9867 -109082.9174 298.9872 -368.7686 -336.0526 765395.3578 3.3674 3.4282 PRESSURE: 4779800 -71.385 33.9059 -96.358 33.906 -350.459 -65.6405 -96.3583 -65.6392 -214.148 GPRESSURE: 4779800 -116.704 94.348 -76.0971 9.28608 -263.206 -86.4559 -171.356 -130.899 -168.484 PRESSAVG: 4779800 1.79342 35.5201 36.0869 35.5201 -52.3239 20.5035 36.0869 20.5035 -19.543 GPRESSAVG: 4779800 1.5044 36.4631 36.1581 35.2843 -51.9579 20.479 33.3228 18.6938 -19.9035 TIMING: 4779800 CPU: 14925.3, 0.00312837/step Wall: 14925.3, 0.00312837/step, 0.191352 hours remaining, 235.437500 MB of memory in use. ENERGY: 4779800 4069.5586 20680.2965 14479.1108 247.7941 -203599.1537 2775.2396 0.0000 0.0000 51859.6941 -109487.4601 298.0384 -161347.1542 -109134.1226 299.0710 -211.9974 -182.7980 763971.8068 -23.3578 -23.4523 PRESSURE: 4780000 -389.839 123.914 205.122 123.914 90.6217 -169.665 205.122 -169.666 30.3883 GPRESSURE: 4780000 -396.106 227.708 151.336 134.95 168.931 -76.2029 225.15 -220.814 49.6295 PRESSAVG: 4780000 -15.3046 53.7619 -32.1516 53.762 -27.7285 -51.0895 -32.1515 -51.0894 34.5833 GPRESSAVG: 4780000 -15.5182 53.614 -30.4917 53.821 -29.2736 -53.2477 -32.5025 -48.1912 36.4927 TIMING: 4780000 CPU: 14925.9, 0.00311267/step Wall: 14925.9, 0.00311267/step, 0.190219 hours remaining, 235.437500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4780000 3995.5034 20508.2381 14538.5487 249.7492 -203660.0763 2907.9437 0.0000 0.0000 51925.8727 -109534.2205 298.4187 -161460.0932 -109170.7884 298.5569 -89.6097 -59.1818 764718.2699 -2.8166 -2.7664 PRESSURE: 4780200 104.694 14.0602 -77.4501 14.0604 84.8235 132.239 -77.4501 132.239 91.7164 GPRESSURE: 4780200 53.802 -43.9984 -111.805 -127.105 197.56 145.142 49.356 50.3339 123.232 PRESSAVG: 4780200 -50.9581 32.0957 -3.07733 32.0957 44.6726 -59.8452 -3.07723 -59.8453 -7.32451 GPRESSAVG: 4780200 -50.7886 32.0796 -4.70417 31.0193 46.9272 -56.688 -1.36773 -60.9482 -9.27604 TIMING: 4780200 CPU: 14926.5, 0.00309558/step Wall: 14926.5, 0.00309558/step, 0.189002 hours remaining, 235.437500 MB of memory in use. ENERGY: 4780200 4044.0462 20469.2489 14455.2357 239.5504 -203415.4329 2739.1617 0.0000 0.0000 51937.1295 -109531.0603 298.4834 -161468.1899 -109176.2231 298.1286 93.7445 124.8648 761547.4768 -4.5367 -4.3791 LDB: ============= START OF LOAD BALANCING ============== 14939 LDB: ============== END OF LOAD BALANCING =============== 14939 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14939 LDB: ============= START OF LOAD BALANCING ============== 14939.3 LDB: Largest compute 7028 load 0.032027 is 16.4% of average load 0.195282 LDB: Average compute 0.004388 is 2.2% of average load 0.195282 LDB: TIME 14939.3 LOAD: AVG 0.195282 MAX 0.215948 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.262 MB LDB: TIME 14939.3 LOAD: AVG 0.195282 MAX 0.215948 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.465 MB LDB: TIME 14939.3 LOAD: AVG 0.195282 MAX 0.215948 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.465 MB LDB: ============== END OF LOAD BALANCING =============== 14939.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14939.3 PRESSURE: 4780400 -120.518 38.3039 -275.422 38.3041 -197.108 -27.0436 -275.422 -27.0438 -69.656 GPRESSURE: 4780400 71.5596 34.9138 -276.257 -23.6336 -237.579 -96.8353 -253.404 -1.6612 -139.458 PRESSAVG: 4780400 72.5096 61.3501 16.8526 61.3501 -57.6077 -6.65534 16.8526 -6.65529 -0.477952 GPRESSAVG: 4780400 73.5954 58.7017 16.9331 65.1299 -59.4071 -8.00323 17.2784 -5.23973 0.455511 TIMING: 4780400 CPU: 14927.1, 0.00316813/step Wall: 14927.1, 0.00316813/step, 0.193256 hours remaining, 234.195312 MB of memory in use. ENERGY: 4780400 3995.5933 20713.5571 14470.8151 267.0638 -203352.8909 2793.9817 0.0000 0.0000 51673.6249 -109438.2550 296.9690 -161111.8799 -109077.9360 298.1743 -129.0939 -101.8256 763418.2647 4.8080 4.8813 PRESSURE: 4780600 -333.371 179.356 -156.024 179.355 -281.011 111.152 -156.024 111.151 -236.324 GPRESSURE: 4780600 -299.443 161.685 -150.826 88.6784 -213.821 57.2792 -169.451 179.051 -257.696 PRESSAVG: 4780600 32.8233 3.46129 7.06762 3.4613 -33.919 -41.2979 7.06759 -41.2979 -22.5748 GPRESSAVG: 4780600 32.2234 2.76347 7.91854 2.01643 -33.6313 -42.369 4.93048 -41.45 -22.3932 TIMING: 4780600 CPU: 14927.8, 0.00311582/step Wall: 14927.8, 0.00311582/step, 0.189892 hours remaining, 234.394531 MB of memory in use. ENERGY: 4780600 3956.7434 20550.8065 14481.7040 247.1594 -203018.4219 2465.2470 0.0000 0.0000 52081.1979 -109235.5637 299.3114 -161316.7616 -108873.5912 298.7297 -283.5685 -256.9867 765194.6358 -7.8902 -7.9337 PRESSURE: 4780800 532.549 41.3353 -153.746 41.3344 231.533 -90.5724 -153.747 -90.5727 327.862 GPRESSURE: 4780800 548.093 69.3575 -96.3535 64.656 268.02 23.1374 -23.9997 -140.337 364.442 PRESSAVG: 4780800 -23.4827 39.7538 20.6363 39.7538 -23.3353 -22.389 20.6362 -22.3889 -25.1237 GPRESSAVG: 4780800 -23.9145 42.4245 18.7 38.7757 -22.517 -21.0339 21.9916 -22.8663 -25.5329 TIMING: 4780800 CPU: 14928.4, 0.00310954/step Wall: 14928.4, 0.00310954/step, 0.189336 hours remaining, 234.394531 MB of memory in use. ENERGY: 4780800 3953.1609 20547.0077 14420.4996 257.2621 -203681.4904 3102.0879 0.0000 0.0000 51896.7887 -109504.6835 298.2516 -161401.4722 -109150.7313 298.4546 363.9815 393.5185 763373.6866 -23.9806 -23.9881 PRESSURE: 4781000 -249.083 228.864 98.7407 228.864 -215.753 -38.1509 98.7397 -38.1512 -246.962 GPRESSURE: 4781000 -148.638 296.778 51.1225 194.653 -235.608 -73.5565 144.066 74.3641 -242.229 PRESSAVG: 4781000 1.14634 17.7809 15.0113 17.781 35.3395 -26.1546 15.0113 -26.1546 14.7889 GPRESSAVG: 4781000 1.04807 18.0623 16.5196 18.2124 35.1867 -27.6206 16.2818 -24.7874 15.3291 TIMING: 4781000 CPU: 14929, 0.00312238/step Wall: 14929, 0.00312238/step, 0.189945 hours remaining, 234.460938 MB of memory in use. ENERGY: 4781000 3952.1317 20367.4641 14410.6185 251.8620 -202857.6460 2476.1920 0.0000 0.0000 51897.3053 -109502.0723 298.2545 -161399.3776 -109131.2694 298.4194 -237.2659 -208.8249 765172.1360 17.0916 17.1880 PRESSURE: 4781200 -146.164 105.792 112.876 105.792 -135.575 151.955 112.877 151.955 112.06 GPRESSURE: 4781200 -150.301 117.472 91.7536 82.3833 -98.7949 117.121 160.755 89.1968 154.954 PRESSAVG: 4781200 -44.6723 13.501 11.4041 13.501 11.6825 55.5118 11.4041 55.5118 -8.11749 GPRESSAVG: 4781200 -44.1057 14.1277 11.1578 13.4174 11.4002 55.872 13.0792 53.24 -8.60803 TIMING: 4781200 CPU: 14929.6, 0.00311704/step Wall: 14929.6, 0.00311704/step, 0.189447 hours remaining, 234.460938 MB of memory in use. ENERGY: 4781200 3974.4487 20447.3302 14507.5667 249.5920 -203352.3344 2581.6429 0.0000 0.0000 52179.9725 -109411.7814 299.8790 -161591.7540 -109046.1210 298.6631 -56.5597 -31.3806 762861.5809 -13.7024 -13.7712 PRESSURE: 4781400 -246.228 -51.8325 -54.4523 -51.8317 -70.8092 338.313 -54.453 338.315 -137.153 GPRESSURE: 4781400 -161.75 -66.8539 -65.2104 -193.701 -90.4557 315.92 -110.544 246.211 -99.4321 PRESSAVG: 4781400 -0.210189 22.3142 -0.339647 22.3142 -13.8899 31.9036 -0.339617 31.9036 10.9336 GPRESSAVG: 4781400 -1.4401 20.4489 0.323903 21.5967 -12.6432 31.3564 -4.07759 33.4253 10.8555 TIMING: 4781400 CPU: 14930.2, 0.0031035/step Wall: 14930.2, 0.0031035/step, 0.188452 hours remaining, 234.449219 MB of memory in use. ENERGY: 4781400 3935.2679 20395.0273 14529.8916 245.3882 -203450.1869 2720.8777 0.0000 0.0000 52059.7176 -109564.0165 299.1879 -161623.7341 -109214.1439 298.9180 -151.3966 -117.2125 764313.1206 -1.0555 -1.0759 PRESSURE: 4781600 140.406 67.2304 13.3003 67.2305 -31.1579 126.34 13.3009 126.339 -257.085 GPRESSURE: 4781600 272.997 74.1965 30.6512 28.4384 -54.6072 122.993 10.8219 166.191 -288.488 PRESSAVG: 4781600 -32.4059 39.3548 -17.6524 39.3547 36.5732 26.3646 -17.6525 26.3647 2.6961 GPRESSAVG: 4781600 -30.6389 39.7042 -15.9026 37.2196 35.0421 27.3863 -18.0977 24.5344 2.61812 TIMING: 4781600 CPU: 14930.9, 0.00310315/step Wall: 14930.9, 0.00310315/step, 0.188258 hours remaining, 234.460938 MB of memory in use. ENERGY: 4781600 3999.0162 20398.6325 14476.8546 239.4741 -203728.8998 2956.6358 0.0000 0.0000 52001.2231 -109657.0635 298.8517 -161658.2866 -109292.8705 298.4471 -49.2790 -23.3660 761991.8086 2.2878 2.3404 PRESSURE: 4781800 -135.464 2.61528 -143.135 2.61558 59.1458 -210.539 -143.135 -210.539 -346.184 GPRESSURE: 4781800 -110.746 106.328 -104.802 -4.56154 165.888 -119.546 -156.069 -158.328 -405.857 PRESSAVG: 4781800 12.8844 5.70952 28.0679 5.70951 -7.45085 0.672373 28.0679 0.672356 14.0559 GPRESSAVG: 4781800 10.7477 5.11775 26.6694 8.22024 -5.63744 0.587349 30.2277 2.91577 14.3487 TIMING: 4781800 CPU: 14931.5, 0.0031275/step Wall: 14931.5, 0.0031275/step, 0.189562 hours remaining, 234.460938 MB of memory in use. ENERGY: 4781800 3964.6079 20554.2145 14481.5289 228.9278 -203162.0639 2760.9918 0.0000 0.0000 51925.7219 -109246.0710 298.4178 -161171.7929 -108896.0405 298.7599 -140.8340 -116.9048 764260.1224 6.4965 6.4863 PRESSURE: 4782000 -32.781 113.629 33.8513 113.631 125.47 199.619 33.8513 199.619 -345.052 GPRESSURE: 4782000 -23.9211 6.15986 43.4532 91.8891 190.627 296.785 -126.763 23.6287 -336.205 PRESSAVG: 4782000 7.15456 13.7425 16.8313 13.7425 13.591 23.8694 16.8313 23.8694 -11.2467 GPRESSAVG: 4782000 8.14129 14.7989 16.6267 15.1583 11.824 25.2693 15.3625 21.7479 -10.8437 TIMING: 4782000 CPU: 14932.1, 0.00310818/step Wall: 14932.1, 0.00310818/step, 0.188217 hours remaining, 234.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4782000 4020.6744 20503.7224 14479.1495 236.3237 -203964.2874 3272.6499 0.0000 0.0000 52237.0565 -109214.7109 300.2071 -161451.7674 -108848.5072 299.2588 -84.1211 -56.4997 761898.2867 3.1663 3.0405 PRESSURE: 4782200 -166.502 -50.1618 -41.2012 -50.1622 15.871 -81.7923 -41.2018 -81.7917 -413.096 GPRESSURE: 4782200 -145.058 89.678 10.64 -36.6445 141.475 -58.0757 -22.35 -143.869 -458.242 PRESSAVG: 4782200 -31.3417 30.6131 -24.9045 30.6131 -30.0114 -30.7648 -24.9045 -30.7647 -12.0379 GPRESSAVG: 4782200 -31.7119 31.0889 -23.7718 26.38 -28.5107 -31.731 -22.9216 -28.8169 -12.8041 TIMING: 4782200 CPU: 14932.7, 0.00310722/step Wall: 14932.7, 0.00310722/step, 0.187987 hours remaining, 234.460938 MB of memory in use. ENERGY: 4782200 3965.7317 20478.3947 14502.4914 244.4996 -203275.9281 2703.3671 0.0000 0.0000 52051.5971 -109329.8465 299.1412 -161381.4436 -108975.5029 298.8903 -187.9090 -153.9419 765456.1706 -24.4636 -24.3422 PRESSURE: 4782400 70.8209 168.89 -81.7375 168.889 -270.711 246.808 -81.7375 246.808 -97.8673 GPRESSURE: 4782400 178.615 242.152 -108.138 201.736 -354.731 268.067 -104.462 181.135 -37.9673 PRESSAVG: 4782400 -67.0006 30.2118 -21.499 30.2117 76.8833 -13.6803 -21.499 -13.6803 -17.2585 GPRESSAVG: 4782400 -66.7335 30.1686 -22.1465 31.747 75.4411 -13.7727 -24.1882 -13.7132 -16.2491 TIMING: 4782400 CPU: 14933.4, 0.00312507/step Wall: 14933.4, 0.00312507/step, 0.188893 hours remaining, 234.460938 MB of memory in use. ENERGY: 4782400 3979.8051 20558.7777 14443.2550 256.5186 -203333.4748 2856.3750 0.0000 0.0000 52098.0711 -109140.6723 299.4083 -161238.7434 -108777.9421 299.2158 -99.2526 -71.3613 763828.4698 -2.4586 -2.5139 PRESSURE: 4782600 190.888 209.449 166.02 209.449 -114.175 -198.17 166.021 -198.169 -125.398 GPRESSURE: 4782600 260.02 34.4867 172.574 211.922 -124.479 -226.448 185.969 -148.089 -102.99 PRESSAVG: 4782600 -30.6767 60.1681 5.86386 60.1682 31.6172 13.2508 5.8639 13.2507 -3.46471 GPRESSAVG: 4782600 -31.0922 58.1318 5.18225 62.8486 33.0392 12.3444 7.99401 12.9421 -4.27433 TIMING: 4782600 CPU: 14934, 0.0031208/step Wall: 14934, 0.0031208/step, 0.188462 hours remaining, 234.460938 MB of memory in use. ENERGY: 4782600 3989.9691 20625.8676 14507.4583 272.9266 -203343.2496 2871.4722 0.0000 0.0000 51884.2893 -109191.2666 298.1797 -161075.5559 -108829.2362 299.5644 -16.2282 10.8504 762321.4046 -0.8414 -0.7758 PRESSURE: 4782800 141.945 127.088 223.552 127.088 -11.6536 24.8969 223.551 24.8963 -590.563 GPRESSURE: 4782800 190.37 143.026 233.085 156.144 6.59498 0.246693 254.141 -19.5349 -572.182 PRESSAVG: 4782800 42.2753 18.0021 -19.1761 18.0021 -27.6815 -23.4155 -19.1761 -23.4154 -8.79665 GPRESSAVG: 4782800 42.6514 19.0403 -19.2978 13.5525 -28.0986 -23.4254 -20.0122 -25.3716 -8.4317 TIMING: 4782800 CPU: 14934.6, 0.00310134/step Wall: 14934.6, 0.00310134/step, 0.187114 hours remaining, 234.460938 MB of memory in use. ENERGY: 4782800 4031.8156 20517.7823 14401.1060 230.1780 -203516.8957 2965.2265 0.0000 0.0000 52033.4920 -109337.2954 299.0372 -161370.7874 -108972.5044 298.9445 -153.4241 -125.0724 762810.0251 1.9324 2.0404 PRESSURE: 4783000 -101.95 -12.4524 -64.9484 -12.4512 7.35576 -63.8511 -64.9482 -63.8494 -260.341 GPRESSURE: 4783000 -4.3391 -84.7508 -103.599 137.82 23.3416 18.5275 -45.5416 -47.7813 -299.921 PRESSAVG: 4783000 2.07018 2.04906 27.0762 2.04914 17.2153 -49.3858 27.0762 -49.3858 -1.38548 GPRESSAVG: 4783000 1.29962 0.451864 26.566 5.60495 18.3814 -47.6647 26.4417 -48.7584 -1.28557 TIMING: 4783000 CPU: 14935.2, 0.00309873/step Wall: 14935.2, 0.00309873/step, 0.186785 hours remaining, 234.460938 MB of memory in use. ENERGY: 4783000 3916.2322 20519.3934 14460.9178 237.9802 -202674.9041 2403.8339 0.0000 0.0000 51700.8918 -109435.6547 297.1257 -161136.5465 -109075.5073 298.4209 -118.3120 -93.6395 763663.2332 5.9667 6.1318 PRESSURE: 4783200 -86.7591 -78.5596 137.74 -78.5606 123.614 -69.7031 137.74 -69.7037 -22.3251 GPRESSURE: 4783200 -1.58774 -1.84789 90.4573 -24.8526 125.125 -16.1817 187.397 -134.133 -17.6596 PRESSAVG: 4783200 -55.6618 -12.5745 -24.5284 -12.5746 42.5803 -15.0357 -24.5284 -15.0357 18.5064 GPRESSAVG: 4783200 -55.2776 -10.7811 -25.5277 -12.7548 41.8476 -16.7717 -22.7854 -13.4512 19.5065 TIMING: 4783200 CPU: 14935.8, 0.00309414/step Wall: 14935.8, 0.00309414/step, 0.186336 hours remaining, 234.460938 MB of memory in use. ENERGY: 4783200 3977.8238 20449.3426 14465.0565 221.3119 -203060.8637 2613.3545 0.0000 0.0000 52212.8494 -109121.1250 300.0680 -161333.9744 -108762.7531 298.5928 4.8433 35.2926 762391.0285 1.8083 2.0255 PRESSURE: 4783400 126.31 55.0723 96.7489 55.0723 304.035 205.296 96.7485 205.295 251.325 GPRESSURE: 4783400 133.101 -6.23083 66.7561 100.777 419.908 151.56 129.941 285.41 210.168 PRESSAVG: 4783400 14.7873 -2.05783 -6.5736 -2.05775 -16.2658 9.02338 -6.57363 9.02332 -10.5084 GPRESSAVG: 4783400 14.747 -2.91033 -6.47343 -1.66889 -14.2132 9.0974 -6.99925 8.14269 -12.0356 TIMING: 4783400 CPU: 14936.5, 0.0030952/step Wall: 14936.5, 0.0030952/step, 0.186228 hours remaining, 234.460938 MB of memory in use. ENERGY: 4783400 4066.2606 20402.6784 14468.4850 254.3758 -203728.9293 3299.1567 0.0000 0.0000 52239.8470 -108998.1258 300.2231 -161237.9728 -108632.1962 299.3150 227.2234 254.3922 762606.6943 -3.9956 -3.8339 PRESSURE: 4783600 -13.5193 1.22137 -15.6669 1.22189 48.6091 -145.513 -15.6667 -145.512 -351.371 GPRESSURE: 4783600 64.7738 29.5217 27.4668 6.47186 11.6558 -123.939 -103.502 -76.4288 -312.622 PRESSAVG: 4783600 6.7419 -9.98775 -38.7568 -9.98781 -21.0409 -4.70764 -38.7568 -4.70761 -2.3535 GPRESSAVG: 4783600 7.67045 -8.94792 -38.7579 -11.6348 -22.2148 -3.95713 -39.9063 -4.55244 -2.5239 TIMING: 4783600 CPU: 14937.1, 0.00311201/step Wall: 14937.1, 0.00311201/step, 0.187066 hours remaining, 234.460938 MB of memory in use. ENERGY: 4783600 4016.6366 20375.0339 14508.2354 251.7849 -203255.6452 2919.8578 0.0000 0.0000 52067.7464 -109116.3502 299.2341 -161184.0967 -108751.4770 299.8569 -105.4270 -78.7307 763369.6545 -5.5508 -5.6894 PRESSURE: 4783800 -306.374 169.44 -200.909 169.439 103.588 -204.495 -200.91 -204.495 278.469 GPRESSURE: 4783800 -215.982 190.539 -132.956 196.496 51.2102 -202.251 -92.1794 -325.192 329.274 PRESSAVG: 4783800 -74.0783 23.6212 22.5476 23.6212 32.6161 13.5278 22.5476 13.5277 -1.95629 GPRESSAVG: 4783800 -74.7937 23.6962 23.5306 22.9179 32.8013 13.4104 23.5662 11.2813 -1.33139 TIMING: 4783800 CPU: 14937.7, 0.00309984/step Wall: 14937.7, 0.00309984/step, 0.186162 hours remaining, 234.460938 MB of memory in use. ENERGY: 4783800 3919.2995 20404.8782 14511.8533 250.0086 -202866.5515 2449.0290 0.0000 0.0000 52177.2887 -109154.1941 299.8636 -161331.4828 -108787.0090 299.4876 25.2277 54.8341 762617.5519 -14.4728 -14.4413 PRESSURE: 4784000 -137.961 -97.1448 -32.1162 -97.1457 272.707 52.7138 -32.1165 52.7137 -337.386 GPRESSURE: 4784000 -31.2259 4.17502 -27.5094 -127.379 291.677 96.659 -19.9593 235.28 -382.996 PRESSAVG: 4784000 -84.552 10.6953 15.0837 10.6953 67.4946 30.9346 15.0837 30.9346 -0.980426 GPRESSAVG: 4784000 -85.0229 7.64189 13.8451 13.6342 67.2961 30.7648 16.8673 33.8866 -0.0377691 TIMING: 4784000 CPU: 14938.3, 0.00309368/step Wall: 14938.3, 0.00309368/step, 0.185621 hours remaining, 234.449219 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: 4784000 4039.5896 20654.1092 14583.3104 249.2398 -203449.5627 2880.8164 0.0000 0.0000 52211.0004 -108831.4968 300.0573 -161042.4973 -108474.2118 299.7034 -67.5464 -40.8483 762322.3233 -6.0126 -5.9215 PRESSURE: 4784200 162.734 -76.806 42.4343 -76.8062 51.4091 155.974 42.4343 155.973 218.305 GPRESSURE: 4784200 94.5687 -9.75444 17.1645 -86.1402 137.84 127.031 181.538 93.6599 284.732 PRESSAVG: 4784200 -67.566 -35.9608 10.2047 -35.9608 42.3979 4.92109 10.2047 4.92111 20.2563 GPRESSAVG: 4784200 -68.3341 -34.3706 10.7832 -37.0751 44.0839 4.51515 9.40322 4.32192 19.7236 TIMING: 4784200 CPU: 14938.9, 0.0031012/step Wall: 14938.9, 0.0031012/step, 0.1859 hours remaining, 234.460938 MB of memory in use. ENERGY: 4784200 4046.7616 20543.1558 14470.5453 247.9680 -203255.4214 2816.8033 0.0000 0.0000 52128.2391 -109001.9483 299.5817 -161130.1873 -108644.2569 299.3276 144.1496 172.3803 762185.2394 -1.6373 -1.5089 LDB: ============= START OF LOAD BALANCING ============== 14951.4 LDB: ============== END OF LOAD BALANCING =============== 14951.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14951.4 LDB: ============= START OF LOAD BALANCING ============== 14951.7 LDB: Largest compute 7028 load 0.031350 is 16.1% of average load 0.195260 LDB: Average compute 0.004408 is 2.3% of average load 0.195260 LDB: TIME 14951.7 LOAD: AVG 0.19526 MAX 0.214627 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.805 MB LDB: TIME 14951.7 LOAD: AVG 0.19526 MAX 0.214627 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.004 MB LDB: TIME 14951.7 LOAD: AVG 0.19526 MAX 0.214627 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.004 MB LDB: ============== END OF LOAD BALANCING =============== 14951.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14951.7 PRESSURE: 4784400 -461.439 37.8099 -146.056 37.8094 -29.0965 -48.2296 -146.056 -48.2285 -464.859 GPRESSURE: 4784400 -332.423 -31.9178 -143.197 100.019 7.6238 -40.7483 -138.857 -44.1114 -558.666 PRESSAVG: 4784400 -42.8207 19.3842 23.126 19.3842 45.4691 -8.78581 23.126 -8.78577 -21.2581 GPRESSAVG: 4784400 -41.2258 20.4471 25.0145 18.4439 43.4287 -8.15251 22.3296 -10.4801 -21.052 TIMING: 4784400 CPU: 14939.6, 0.00316144/step Wall: 14939.6, 0.00316144/step, 0.189335 hours remaining, 233.750000 MB of memory in use. ENERGY: 4784400 3974.3681 20467.8530 14551.5270 237.9473 -203002.4669 2480.9950 0.0000 0.0000 52203.7585 -109086.0180 300.0157 -161289.7766 -108724.1810 299.1312 -318.4648 -294.4883 763727.1255 -6.2032 -6.2831 PRESSURE: 4784600 231.577 -298.921 34.0682 -298.921 -255.475 -126.202 34.0673 -126.202 20.9711 GPRESSURE: 4784600 198.275 -160.413 -46.4443 -206.904 -146.871 -91.1379 1.57981 -46.7678 43.8861 PRESSAVG: 4784600 -24.6448 -6.15827 5.31476 -6.1583 64.8916 -30.9947 5.3147 -30.9947 -0.467846 GPRESSAVG: 4784600 -24.2735 -7.19516 4.04837 -5.1103 65.034 -32.6497 3.37139 -28.7647 -1.20532 TIMING: 4784600 CPU: 14940.2, 0.00309074/step Wall: 14940.2, 0.00309074/step, 0.184929 hours remaining, 233.738281 MB of memory in use. ENERGY: 4784600 4025.1372 20375.1168 14526.5651 257.4989 -203179.3684 2747.9102 0.0000 0.0000 51933.9442 -109313.1960 298.4651 -161247.1402 -108947.9010 298.7756 -0.9757 31.7633 762824.4478 13.2597 13.1851 PRESSURE: 4784800 -280.252 -200.444 68.5986 -200.445 192.89 35.0723 68.5983 35.0719 5.09985 GPRESSURE: 4784800 -205.936 -214.851 74.52 -249.122 185.676 109.083 112.604 -24.1411 24.3685 PRESSAVG: 4784800 -30.9321 -67.3141 30.2168 -67.3141 76.8729 -47.5868 30.2168 -47.5867 18.4951 GPRESSAVG: 4784800 -31.1169 -64.642 30.0441 -70.1786 77.3267 -46.2709 32.5863 -46.6778 18.083 TIMING: 4784800 CPU: 14940.8, 0.00308432/step Wall: 14940.8, 0.00308433/step, 0.184374 hours remaining, 233.738281 MB of memory in use. ENERGY: 4784800 4088.2155 20490.4721 14510.6396 242.3276 -203392.6126 2855.8419 0.0000 0.0000 52097.6503 -109107.4656 299.4059 -161205.1159 -108755.5880 299.3699 -27.4207 1.3695 764327.6585 21.4786 21.4309 PRESSURE: 4785000 57.2683 -5.9817 -181.359 -5.98193 -18.3112 6.22346 -181.359 6.22398 191.729 GPRESSURE: 4785000 165.674 -12.0147 -142.208 -18.0208 87.6941 41.29 -112.49 95.7491 74.2766 PRESSAVG: 4785000 -6.9748 -37.5144 23.2228 -37.5144 25.0609 25.7985 23.2229 25.7984 23.7798 GPRESSAVG: 4785000 -7.2426 -39.1601 22.943 -35.404 24.8151 24.2583 21.6762 24.9989 23.6436 TIMING: 4785000 CPU: 14941.4, 0.00308455/step Wall: 14941.4, 0.00308455/step, 0.184216 hours remaining, 233.726562 MB of memory in use. ENERGY: 4785000 4049.2798 20438.7115 14500.0248 265.3600 -203420.6906 2832.5946 0.0000 0.0000 51983.8150 -109350.9050 298.7517 -161334.7199 -108988.3033 299.0608 76.8955 109.2148 763043.5794 13.9553 13.7387 PRESSURE: 4785200 9.25128 -71.3129 61.0925 -71.3132 337.882 -4.41211 61.0926 -4.4114 16.4555 GPRESSURE: 4785200 148.905 28.1887 84.1807 -2.01837 272.326 42.0692 152.939 124.75 4.6284 PRESSAVG: 4785200 -34.6304 -9.11871 -12.7279 -9.11868 50.7868 13.3029 -12.7279 13.3029 -6.9431 GPRESSAVG: 4785200 -33.0438 -8.83457 -12.217 -9.54674 49.1695 14.8165 -12.49 13.1131 -7.31849 TIMING: 4785200 CPU: 14942, 0.00307614/step Wall: 14942, 0.00307614/step, 0.183543 hours remaining, 233.941406 MB of memory in use. ENERGY: 4785200 3984.8398 20402.6668 14461.1608 254.1861 -203285.8360 2826.8270 0.0000 0.0000 52023.1856 -109332.9700 298.9780 -161356.1556 -108972.2994 298.7408 121.1964 141.9533 763138.7060 3.0711 2.9357 PRESSURE: 4785400 -98.9396 90.0131 141.29 90.0125 43.6944 -6.09279 141.29 -6.09265 -236.184 GPRESSURE: 4785400 -50.2993 -15.9432 129.776 124.268 16.9415 -125.718 184.552 -23.0458 -178.73 PRESSAVG: 4785400 -52.3851 25.0136 45.8109 25.0135 45.674 10.3621 45.8108 10.3622 3.15028 GPRESSAVG: 4785400 -53.8491 24.286 46.1742 26.6372 47.0027 10.3207 46.4157 9.20407 3.68273 TIMING: 4785400 CPU: 14942.7, 0.00308851/step Wall: 14942.7, 0.00308851/step, 0.184109 hours remaining, 233.941406 MB of memory in use. ENERGY: 4785400 3987.5535 20544.8496 14552.5996 243.3796 -203483.2947 2749.2876 0.0000 0.0000 52049.1555 -109356.4692 299.1272 -161405.6247 -108994.3014 298.3635 -97.1429 -70.6960 760966.0455 -1.1869 -1.0546 PRESSURE: 4785600 -66.1933 -109.409 19.4686 -109.41 -36.7155 155.609 19.4691 155.609 36.1661 GPRESSURE: 4785600 13.5217 -20.4301 -58.299 -141.427 20.1218 215.59 -136.734 56.8579 -22.1645 PRESSAVG: 4785600 -19.4223 -3.6406 -5.93221 -3.64063 26.0054 -63.8074 -5.93221 -63.8073 -8.06846 GPRESSAVG: 4785600 -18.7239 -3.57661 -6.08059 -5.8491 26.0896 -63.7422 -8.43322 -62.6884 -8.20748 TIMING: 4785600 CPU: 14943.3, 0.00309071/step Wall: 14943.3, 0.00309071/step, 0.184069 hours remaining, 233.953125 MB of memory in use. ENERGY: 4785600 3989.0417 20489.7332 14510.2439 242.9176 -203682.3575 2927.1173 0.0000 0.0000 52165.7547 -109357.5492 299.7973 -161523.3039 -108991.5846 298.8539 -22.2476 3.8263 762186.5671 -0.4951 -0.2806 PRESSURE: 4785800 102.318 98.9588 150.143 98.9591 128.988 -30.8614 150.143 -30.8614 -8.14912 GPRESSURE: 4785800 172.487 40.2647 119.024 132.38 98.6598 -17.1819 277.265 61.1853 35.436 PRESSAVG: 4785800 -16.1166 -38.4018 41.9109 -38.4018 31.0335 -34.1133 41.9108 -34.1133 32.6433 GPRESSAVG: 4785800 -17.1728 -38.3716 40.6699 -37.0168 30.6221 -35.9663 45.6586 -34.0225 34.2913 TIMING: 4785800 CPU: 14943.9, 0.00309745/step Wall: 14943.9, 0.00309745/step, 0.184298 hours remaining, 233.953125 MB of memory in use. ENERGY: 4785800 3924.7298 20372.6175 14523.4096 235.9795 -203227.5811 2580.2321 0.0000 0.0000 51983.1176 -109607.4950 298.7477 -161590.6126 -109236.3744 298.5007 74.3857 102.1944 761778.9071 15.8534 15.9135 PRESSURE: 4786000 72.7757 -2.27863 73.6329 -2.2775 82.5481 -109.224 73.6332 -109.224 108.543 GPRESSURE: 4786000 45.827 -98.6083 55.1227 76.2237 165.946 -77.7168 -6.01183 -82.0419 122.12 PRESSAVG: 4786000 -32.2624 -38.1166 33.7468 -38.1166 46.6739 15.1312 33.7467 15.1311 3.69999 GPRESSAVG: 4786000 -31.7817 -38.1979 34.5055 -37.8699 48.6827 17.7235 30.6236 13.9557 2.06833 TIMING: 4786000 CPU: 14944.5, 0.00309697/step Wall: 14944.5, 0.00309697/step, 0.184097 hours remaining, 233.953125 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: 4786000 3824.3984 20558.2017 14549.5830 258.9233 -203671.7785 2904.0940 0.0000 0.0000 52011.9311 -109564.6470 298.9133 -161576.5781 -109203.3246 298.8215 87.9558 111.2977 761126.5766 6.0371 6.3231 PRESSURE: 4786200 -32.6208 0.993115 175.452 0.993166 196.091 -60.689 175.452 -60.6891 239.06 GPRESSURE: 4786200 -97.4909 -153.651 118.036 0.560252 317.664 -0.473357 191.842 -193.95 261.417 PRESSAVG: 4786200 -0.0445466 8.74097 42.9292 8.74094 -13.6109 12.1932 42.9292 12.1931 10.325 GPRESSAVG: 4786200 -0.221532 6.35672 43.2204 8.37874 -14.5148 10.0138 42.3712 14.2772 11.387 TIMING: 4786200 CPU: 14945.1, 0.00307688/step Wall: 14945.1, 0.00307688/step, 0.182732 hours remaining, 233.953125 MB of memory in use. ENERGY: 4786200 4008.6824 20573.3575 14445.1698 256.1219 -203513.5275 2636.1893 0.0000 0.0000 52050.1706 -109543.8358 299.1330 -161594.0065 -109181.4071 298.6662 134.1769 160.5301 761861.3808 -1.1101 -1.1164 PRESSURE: 4786400 -38.2234 8.5313 7.08349 8.53109 298.418 210.027 7.08342 210.026 14.5127 GPRESSURE: 4786400 34.5673 -48.5938 -22.0437 -23.6662 335.887 236.342 73.6176 186.923 -21.5715 PRESSAVG: 4786400 -28.8394 -19.2787 18.7501 -19.2787 25.9878 -17.7299 18.7502 -17.7299 -13.1206 GPRESSAVG: 4786400 -28.2392 -17.8466 18.2133 -18.3421 25.9386 -15.5203 19.0348 -19.7732 -12.801 TIMING: 4786400 CPU: 14945.8, 0.00308879/step Wall: 14945.8, 0.00308879/step, 0.183268 hours remaining, 233.953125 MB of memory in use. ENERGY: 4786400 3967.0624 20600.8345 14445.0407 243.1883 -203320.6449 2788.5644 0.0000 0.0000 51878.6987 -109397.2558 298.1476 -161275.9545 -109053.1777 298.6943 91.5690 116.2944 761563.2687 -5.3241 -5.0339 PRESSURE: 4786600 146.679 37.3258 -28.8416 37.3264 371.065 113.021 -28.8408 113.02 226.126 GPRESSURE: 4786600 165.783 -19.7018 27.2559 -53.7517 350.421 28.8244 34.2218 -7.53689 307.106 PRESSAVG: 4786600 30.642 -35.1254 24.7276 -35.1254 -42.1976 14.2109 24.7276 14.2109 -4.49457 GPRESSAVG: 4786600 29.9587 -34.3232 25.9131 -37.216 -42.0564 12.7924 24.4742 15.537 -4.61129 TIMING: 4786600 CPU: 14946.4, 0.00310301/step Wall: 14946.4, 0.00310301/step, 0.18394 hours remaining, 233.953125 MB of memory in use. ENERGY: 4786600 3961.5032 20611.0289 14476.9359 233.4315 -203518.6814 2944.4375 0.0000 0.0000 51723.4274 -109567.9169 297.2552 -161291.3443 -109218.9566 298.2279 247.9567 274.4365 761677.0867 -5.3501 -5.5697 PRESSURE: 4786800 42.7604 30.5057 31.7981 30.5057 -262.959 -127.292 31.7986 -127.291 53.4019 GPRESSURE: 4786800 48.94 75.3156 -46.9711 -104.291 -263.259 -70.0183 69.8513 -213.657 119.6 PRESSAVG: 4786800 66.0792 -10.1269 -13.95 -10.127 -43.1333 21.8682 -13.9499 21.8682 -9.14849 GPRESSAVG: 4786800 66.8612 -10.2964 -15.878 -8.05203 -42.9433 21.3374 -11.9925 19.8275 -10.1008 TIMING: 4786800 CPU: 14947, 0.00309264/step Wall: 14947, 0.00309264/step, 0.183153 hours remaining, 233.953125 MB of memory in use. ENERGY: 4786800 3945.1883 20455.1907 14460.6027 258.9850 -203051.3222 2445.8851 0.0000 0.0000 52039.6121 -109445.8581 299.0724 -161485.4703 -109079.9908 298.6101 -55.5990 -31.5729 763072.0753 4.5991 4.6057 PRESSURE: 4787000 -136.535 -70.62 278.858 -70.6202 176.942 111.153 278.858 111.153 175.01 GPRESSURE: 4787000 -135.367 -48.6736 242.241 -87.6318 204.21 74.1769 230.459 89.5091 218.821 PRESSAVG: 4787000 0.337787 11.3239 29.302 11.3239 -3.72408 26.6429 29.302 26.6429 15.7274 GPRESSAVG: 4787000 -0.735518 9.49089 30.4482 11.8535 -3.68725 26.8157 28.0717 26.9174 16.5541 TIMING: 4787000 CPU: 14947.6, 0.00309678/step Wall: 14947.6, 0.00309678/step, 0.183226 hours remaining, 233.953125 MB of memory in use. ENERGY: 4787000 4008.3765 20405.5174 14468.7042 255.9130 -203955.5955 2987.4873 0.0000 0.0000 52272.1807 -109557.4166 300.4089 -161829.5972 -109192.8774 299.0927 71.8055 95.8878 762621.5411 4.1137 4.0438 PRESSURE: 4787200 180.16 -24.9655 172.29 -24.9644 253.367 243.324 172.291 243.326 15.9019 GPRESSURE: 4787200 205.613 -6.11856 186.5 57.7159 289.17 156.839 177.469 102.949 23.7485 PRESSAVG: 4787200 -19.9748 54.1951 28.0136 54.1951 49.9533 34.3128 28.0137 34.3128 -4.46516 GPRESSAVG: 4787200 -19.077 55.9347 27.0186 51.7151 49.2819 34.3857 28.7297 36.9797 -4.57719 TIMING: 4787200 CPU: 14948.2, 0.00307961/step Wall: 14948.2, 0.00307961/step, 0.182039 hours remaining, 233.953125 MB of memory in use. ENERGY: 4787200 3967.5630 20679.0200 14478.5646 242.0606 -203961.4731 3174.7925 0.0000 0.0000 51946.0986 -109473.3738 298.5349 -161419.4724 -109113.2343 298.7582 149.8096 172.8437 761882.8883 8.5044 8.5426 PRESSURE: 4787400 -143.999 -28.7415 39.2841 -28.7423 -423.36 -452.725 39.2841 -452.726 -271.65 GPRESSURE: 4787400 -161.75 -78.3817 -73.5476 14.3104 -227.02 -490.388 -95.4689 -543.279 -342.976 PRESSAVG: 4787400 -14.9266 9.47542 24.6165 9.47546 1.51073 -45.4377 24.6164 -45.4378 -32.4119 GPRESSAVG: 4787400 -16.526 9.6541 25.6598 10.492 3.76617 -45.4595 23.8452 -47.0614 -32.9249 TIMING: 4787400 CPU: 14948.8, 0.00309332/step Wall: 14948.8, 0.00309333/step, 0.182678 hours remaining, 233.929688 MB of memory in use. ENERGY: 4787400 4138.2166 20411.2132 14541.4031 256.8141 -203564.8275 2866.2107 0.0000 0.0000 52040.0841 -109310.8857 299.0751 -161350.9698 -108943.8752 298.9667 -279.6696 -243.9154 764059.5308 -15.2759 -15.2282 PRESSURE: 4787600 -167.17 -203.943 32.9545 -203.943 7.57573 181.05 32.9541 181.05 -34.2342 GPRESSURE: 4787600 -77.1644 -176.764 19.8429 -236.406 31.7625 223.726 116.68 85.766 -33.9472 PRESSAVG: 4787600 9.00228 -75.5234 11.2685 -75.5234 -9.37534 -60.8909 11.2685 -60.8908 -5.13189 GPRESSAVG: 4787600 10.0136 -76.3231 9.78866 -73.9595 -9.94816 -60.0031 13.4544 -62.8122 -5.79974 TIMING: 4787600 CPU: 14949.5, 0.00310168/step Wall: 14949.5, 0.00310168/step, 0.182999 hours remaining, 233.929688 MB of memory in use. ENERGY: 4787600 4051.7769 20598.2560 14491.4587 242.5709 -203153.4550 2705.8282 0.0000 0.0000 51636.9045 -109426.6598 296.7580 -161063.5643 -109072.8011 298.2080 -64.6094 -26.4497 762811.3141 -1.8350 -1.9114 PRESSURE: 4787800 1.49632 -73.6893 -27.0694 -73.6896 -146.081 -105.38 -27.0709 -105.379 -201.196 GPRESSURE: 4787800 72.335 -115.099 -90.8394 -143.349 -185.465 -187.101 4.61021 -84.3258 -143.98 PRESSAVG: 4787800 38.3913 -69.7922 7.21811 -69.7922 -1.46127 -8.77708 7.2181 -8.77709 9.42396 GPRESSAVG: 4787800 39.1553 -69.738 9.06046 -71.1221 -2.96204 -10.0648 6.13555 -6.43091 9.79551 TIMING: 4787800 CPU: 14950.1, 0.00308189/step Wall: 14950.1, 0.00308189/step, 0.18166 hours remaining, 233.929688 MB of memory in use. ENERGY: 4787800 4034.1098 20397.4509 14452.3532 253.0648 -203362.7681 2531.2680 0.0000 0.0000 52092.6018 -109601.9196 299.3769 -161694.5214 -109226.9812 298.5552 -115.2602 -85.7033 761959.2218 15.4513 15.3296 PRESSURE: 4788000 3.94901 139.046 -178.919 139.045 -188.103 137.522 -178.919 137.522 19.0691 GPRESSURE: 4788000 -6.50449 41.5993 -199.272 97.8161 -34.652 15.7808 -58.6369 141.563 -35.2401 PRESSAVG: 4788000 -18.5612 -41.3675 -5.34874 -41.3675 -32.0168 -5.53917 -5.34873 -5.53927 5.87183 GPRESSAVG: 4788000 -19.434 -41.5447 -4.66086 -43.5151 -31.4008 -5.53374 -4.27273 -6.52539 5.58836 TIMING: 4788000 CPU: 14950.7, 0.00307652/step Wall: 14950.7, 0.00307652/step, 0.181173 hours remaining, 233.953125 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: 4788000 3959.1277 20506.2450 14537.5837 233.7145 -203231.3227 2664.1920 0.0000 0.0000 51919.0336 -109411.4262 298.3794 -161330.4598 -109060.4099 298.1050 -55.0283 -25.4655 763479.2310 -14.9021 -15.0821 PRESSURE: 4788200 -46.6785 -111.092 109.963 -111.091 288.941 133.555 109.963 133.556 126.581 GPRESSURE: 4788200 64.316 30.5324 98.4834 -156.729 258.87 238.411 54.2138 119.649 132.835 PRESSAVG: 4788200 33.0887 -46.9923 -55.7074 -46.9923 -53.5805 13.3691 -55.7074 13.369 -22.6265 GPRESSAVG: 4788200 33.8194 -48.1866 -56.9339 -43.7349 -54.4681 13.9846 -55.0047 15.0386 -21.7624 TIMING: 4788200 CPU: 14951.3, 0.00307647/step Wall: 14951.3, 0.00307647/step, 0.180999 hours remaining, 233.953125 MB of memory in use. ENERGY: 4788200 3925.9693 20597.7367 14510.2032 271.7656 -203351.3860 2759.6883 0.0000 0.0000 51948.8742 -109337.1487 298.5509 -161286.0229 -108976.2560 298.6843 122.9476 152.0069 762777.3962 -14.3728 -14.1370 LDB: ============= START OF LOAD BALANCING ============== 14963.8 LDB: ============== END OF LOAD BALANCING =============== 14963.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14963.8 LDB: ============= START OF LOAD BALANCING ============== 14964.1 LDB: Largest compute 7028 load 0.030448 is 15.6% of average load 0.195285 LDB: Average compute 0.004394 is 2.3% of average load 0.195285 LDB: TIME 14964.1 LOAD: AVG 0.195285 MAX 0.217577 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.773 MB LDB: TIME 14964.1 LOAD: AVG 0.195285 MAX 0.217577 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.98 MB LDB: TIME 14964.1 LOAD: AVG 0.195285 MAX 0.217577 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.98 MB LDB: ============== END OF LOAD BALANCING =============== 14964.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14964.1 PRESSURE: 4788400 233.961 -46.5791 29.2733 -46.5795 238.012 -288.648 29.2733 -288.647 326.471 GPRESSURE: 4788400 221.028 28.8799 -14.8021 69.5575 321.08 -264.308 105.269 -186.897 351.403 PRESSAVG: 4788400 -2.15172 -43.9361 -40.2837 -43.9361 7.09026 20.4814 -40.2836 20.4815 8.15917 GPRESSAVG: 4788400 -3.50982 -43.438 -39.7649 -46.4667 8.50349 19.6905 -43.0553 19.4541 7.69772 TIMING: 4788400 CPU: 14951.9, 0.00315121/step Wall: 14951.9, 0.00315121/step, 0.185221 hours remaining, 234.257812 MB of memory in use. ENERGY: 4788400 3882.5043 20646.1570 14445.1671 252.7961 -203278.7756 2739.5076 0.0000 0.0000 51971.1929 -109341.4505 298.6792 -161312.6435 -108973.3902 298.9833 266.1482 297.8368 761804.0983 4.3659 4.2305 PRESSURE: 4788600 -462.705 -38.091 23.3588 -38.0907 -178.43 68.8689 23.3579 68.8691 111.176 GPRESSURE: 4788600 -357.394 -93.6871 97.4839 -42.5568 -141.357 145.707 13.7714 -57.1972 54.9826 PRESSAVG: 4788600 -15.6532 -61.9129 -5.47867 -61.9129 10.9681 -17.628 -5.47867 -17.628 5.81817 GPRESSAVG: 4788600 -14.0548 -61.1288 -6.23513 -60.7735 9.80032 -17.3473 -3.50275 -17.8834 5.47657 TIMING: 4788600 CPU: 14952.6, 0.00310616/step Wall: 14952.6, 0.00310616/step, 0.1824 hours remaining, 234.257812 MB of memory in use. ENERGY: 4788600 4019.8615 20617.8183 14531.9513 245.4247 -203109.0590 2594.8686 0.0000 0.0000 52003.8575 -109095.2772 298.8669 -161099.1347 -108716.4285 299.5028 -176.6531 -147.9226 763133.1402 0.3777 0.4074 PRESSURE: 4788800 28.0352 -32.2426 21.0309 -32.2432 38.5111 -36.4642 21.03 -36.4652 -334.726 GPRESSURE: 4788800 87.7403 -60.2508 46.3289 51.6255 46.8218 -56.2263 -53.651 -109.437 -315.206 PRESSAVG: 4788800 -12.3714 -12.2448 -5.68807 -12.2448 28.815 27.0329 -5.68816 27.0329 7.46031 GPRESSAVG: 4788800 -12.7191 -15.0745 -4.36216 -9.92409 28.4939 26.8088 -5.32147 26.4323 7.78068 TIMING: 4788800 CPU: 14953.2, 0.00308178/step Wall: 14953.2, 0.00308178/step, 0.180798 hours remaining, 234.382812 MB of memory in use. ENERGY: 4788800 4071.4666 20680.8532 14510.1273 238.3315 -203277.9828 2794.8592 0.0000 0.0000 51886.2685 -109096.0765 298.1911 -160982.3450 -108741.8261 299.0796 -89.3932 -60.2147 762804.1771 7.9680 7.8518 PRESSURE: 4789000 20.2466 104.512 -148.673 104.51 -85.7201 -44.7402 -148.673 -44.74 -324.537 GPRESSURE: 4789000 93.9653 111.31 -99.2158 119.683 -78.9896 -52.4093 -33.1552 -58.6916 -311.783 PRESSAVG: 4789000 -23.4449 -18.9977 4.88932 -18.9976 39.2567 -9.21128 4.88932 -9.21137 -6.05009 GPRESSAVG: 4789000 -24.0417 -18.8202 4.06217 -20.052 39.3622 -8.86971 5.17737 -8.97631 -5.61097 TIMING: 4789000 CPU: 14953.8, 0.00307769/step Wall: 14953.8, 0.00307769/step, 0.180387 hours remaining, 234.382812 MB of memory in use. ENERGY: 4789000 4026.4127 20702.9304 14492.8119 265.7372 -203608.5607 2895.5875 0.0000 0.0000 52203.0616 -109022.0194 300.0117 -161225.0810 -108669.5805 299.8383 -130.0037 -98.9359 762581.6075 3.2539 3.2365 PRESSURE: 4789200 -85.8824 -71.0735 -204.405 -71.0737 80.1499 -54.4436 -204.406 -54.4439 -39.8683 GPRESSURE: 4789200 39.0033 -7.193 -296.099 -112.482 -9.63861 -93.1974 -155.733 -89.157 9.9291 PRESSAVG: 4789200 58.3812 35.206 -72.0457 35.206 -66.4306 -35.3991 -72.0457 -35.399 4.10432 GPRESSAVG: 4789200 58.6329 37.8621 -72.3281 33.4463 -67.4981 -35.5297 -73.2006 -35.5034 4.28626 TIMING: 4789200 CPU: 14954.4, 0.00309077/step Wall: 14954.4, 0.00309077/step, 0.180982 hours remaining, 234.382812 MB of memory in use. ENERGY: 4789200 4016.0119 20654.9209 14501.8908 247.2560 -203117.4750 2845.3938 0.0000 0.0000 52084.4415 -108767.5601 299.3300 -160852.0016 -108405.0669 299.7413 -15.2003 13.0979 763202.6009 -1.3150 -1.5263 PRESSURE: 4789400 -154.221 -118.102 19.6771 -118.102 -337.382 67.8697 19.677 67.8696 -410.533 GPRESSURE: 4789400 -131.129 22.1823 12.2555 -40.6456 -388.273 135.487 -17.1074 6.8176 -291.656 PRESSAVG: 4789400 30.3693 36.2657 -38.3974 36.2656 -6.93039 -42.0326 -38.3975 -42.0325 -13.3211 GPRESSAVG: 4789400 31.187 37.0581 -37.5084 36.8298 -6.73861 -41.5314 -37.6353 -42.0605 -13.2357 TIMING: 4789400 CPU: 14955, 0.00308209/step Wall: 14955, 0.00308209/step, 0.180302 hours remaining, 234.382812 MB of memory in use. ENERGY: 4789400 3964.6596 20532.8093 14514.5141 260.6393 -202886.9602 2565.5936 0.0000 0.0000 52215.2861 -108833.4582 300.0820 -161048.7443 -108468.9636 299.8055 -300.7118 -270.3527 765544.5329 3.3726 3.7376 PRESSURE: 4789600 -273.691 99.714 -253.689 99.7142 -328.243 -90.7309 -253.689 -90.7304 151.07 GPRESSURE: 4789600 -183.589 44.0746 -295.722 36.7415 -277.465 -70.6144 -173.762 47.8333 102.265 PRESSAVG: 4789600 24.5677 16.4612 2.30581 16.4612 -11.3596 -35.9279 2.30583 -35.9279 4.80089 GPRESSAVG: 4789600 23.5659 14.6103 2.87044 16.2492 -8.82505 -35.2103 1.23515 -34.7968 3.30681 TIMING: 4789600 CPU: 14955.6, 0.00307867/step Wall: 14955.6, 0.00307867/step, 0.179931 hours remaining, 234.382812 MB of memory in use. ENERGY: 4789600 4056.7274 20509.7776 14493.1716 273.6209 -202646.7600 2247.0402 0.0000 0.0000 52222.9691 -108843.4532 300.1261 -161066.4223 -108485.4003 299.8688 -150.2878 -119.5963 763701.7817 6.0030 6.0159 PRESSURE: 4789800 233.821 97.5503 80.2706 97.5498 277.947 20.7948 80.2699 20.7943 339.818 GPRESSURE: 4789800 312.714 -18.9368 30.3198 29.1398 228.129 -12.395 60.2935 -43.1571 400.701 PRESSAVG: 4789800 22.6251 18.6318 -25.5977 18.6317 9.58809 -5.72063 -25.5977 -5.72062 -1.0699 GPRESSAVG: 4789800 22.2088 19.274 -27.5092 17.7235 6.88909 -7.03277 -25.298 -7.01352 1.76548 TIMING: 4789800 CPU: 14956.3, 0.00309738/step Wall: 14956.3, 0.00309738/step, 0.180853 hours remaining, 234.382812 MB of memory in use. ENERGY: 4789800 3894.2713 20633.6934 14450.2143 246.1759 -203129.0332 2891.0721 0.0000 0.0000 52428.2971 -108585.3090 301.3061 -161013.6061 -108216.9179 300.5613 283.8622 313.8482 763091.4980 10.3811 10.2878 PRESSURE: 4790000 377.475 -239.017 -24.4837 -239.016 370.435 -267.34 -24.4838 -267.34 41.4578 GPRESSURE: 4790000 391.861 -192.825 -28.6602 -234.329 448.391 -249.378 1.06878 -231.924 21.3616 PRESSAVG: 4790000 -58.4141 -2.82149 -30.4501 -2.82159 50.6326 -4.59377 -30.45 -4.5938 -3.23926 GPRESSAVG: 4790000 -57.5806 -2.01943 -30.2725 -1.77037 51.3326 -2.23881 -27.8466 -3.53266 -5.28101 TIMING: 4790000 CPU: 14956.9, 0.00311353/step Wall: 14956.9, 0.00311353/step, 0.181623 hours remaining, 234.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4790000 3954.0591 20762.1862 14407.7714 253.7985 -202923.1037 2818.8181 0.0000 0.0000 52329.3783 -108397.0921 300.7377 -160726.4704 -108034.6074 300.8992 263.1224 287.2043 763783.2278 -3.6736 -3.8430 PRESSURE: 4790200 52.9974 -110.186 66.8986 -110.185 -431.116 47.4822 66.8982 47.482 40.7494 GPRESSURE: 4790200 110.856 -120.623 102.821 -69.2258 -382.739 80.6088 33.2585 -0.172496 19.9819 PRESSAVG: 4790200 -20.837 4.00165 13.7753 4.00159 39.5069 5.71376 13.7753 5.71373 -3.7901 GPRESSAVG: 4790200 -20.4654 4.22437 15.491 2.99143 39.8881 4.14938 11.632 4.44132 -4.35461 TIMING: 4790200 CPU: 14957.5, 0.003078/step Wall: 14957.5, 0.003078/step, 0.179379 hours remaining, 234.382812 MB of memory in use. ENERGY: 4790200 4070.5871 20617.1746 14493.2721 258.3041 -202667.5802 2616.3017 0.0000 0.0000 52231.9259 -108380.0147 300.1776 -160611.9406 -108027.6173 301.3819 -112.4562 -83.9672 765696.0623 4.9599 5.0227 PRESSURE: 4790400 31.2291 130.322 116.796 130.321 159.274 -227.956 116.795 -227.956 -188.618 GPRESSURE: 4790400 42.4537 157.315 55.0861 67.86 179.652 -135.39 86.5343 -200.814 -133.239 PRESSAVG: 4790400 46.0058 11.9239 -20.8536 11.924 -61.0622 -6.03213 -20.8537 -6.03219 -10.4515 GPRESSAVG: 4790400 45.3769 10.7519 -20.9661 10.9034 -61.4806 -3.80129 -21.9342 -6.02107 -9.23955 TIMING: 4790400 CPU: 14958.1, 0.00307706/step Wall: 14958.1, 0.00307706/step, 0.179153 hours remaining, 234.589844 MB of memory in use. ENERGY: 4790400 3991.1191 20504.0927 14575.4118 242.1712 -203057.2764 2855.9899 0.0000 0.0000 52130.2011 -108758.2907 299.5930 -160888.4918 -108408.2627 300.7618 0.6283 29.6219 763855.7304 -8.5026 -8.4477 PRESSURE: 4790600 7.72442 43.7062 -188.122 43.7061 13.197 -221.165 -188.122 -221.164 50.9194 GPRESSURE: 4790600 -7.33334 57.9589 -105.17 16.311 103.622 -144.613 -144.822 -284.376 62.6987 PRESSAVG: 4790600 25.5083 -9.6716 -15.3545 -9.6716 -26.4717 8.20173 -15.3544 8.20173 25.5289 GPRESSAVG: 4790600 24.8178 -8.92798 -17.3017 -9.72035 -26.0706 7.57744 -14.877 7.72176 25.9789 TIMING: 4790600 CPU: 14958.7, 0.00308364/step Wall: 14958.7, 0.00308364/step, 0.179365 hours remaining, 234.589844 MB of memory in use. ENERGY: 4790600 3927.4368 20512.8825 14555.3984 254.9335 -202607.6159 2627.0520 0.0000 0.0000 51954.9512 -108774.9615 298.5858 -160729.9127 -108409.0147 299.9953 23.9470 52.9958 764614.1737 8.1885 8.2420 PRESSURE: 4790800 -136.661 -11.3027 7.99859 -11.3032 43.6127 143.871 7.99884 143.872 -413.165 GPRESSURE: 4790800 -115.184 -4.28577 11.6748 68.3788 8.7022 74.6214 -103.925 118.188 -324.348 PRESSAVG: 4790800 33.9475 -38.4621 22.3543 -38.4621 2.07341 -8.66008 22.3543 -8.66008 -1.95907 GPRESSAVG: 4790800 33.781 -39.5555 22.9235 -35.0474 2.14099 -9.65236 21.1909 -7.41981 -1.93117 TIMING: 4790800 CPU: 14959.4, 0.00308914/step Wall: 14959.4, 0.00308914/step, 0.179513 hours remaining, 234.589844 MB of memory in use. ENERGY: 4790800 3962.6142 20560.2722 14490.5359 252.1815 -203144.0116 2710.5955 0.0000 0.0000 52341.9317 -108825.8806 300.8098 -161167.8123 -108461.8185 299.8570 -168.7376 -143.6101 764053.5451 11.3539 11.3303 PRESSURE: 4791000 -89.2413 29.905 114.1 29.9051 177.767 -5.19843 114.099 -5.19858 -34.5391 GPRESSURE: 4791000 5.19856 -59.6969 94.4153 -36.6729 216.247 -0.194963 37.5576 -13.6161 -79.174 PRESSAVG: 4791000 -12.0424 -25.2726 21.8057 -25.2726 6.4217 40.6425 21.8057 40.6424 6.38772 GPRESSAVG: 4791000 -11.2286 -26.7776 23.1079 -27.3142 6.28098 39.1707 22.1022 43.3194 6.0413 TIMING: 4791000 CPU: 14960, 0.00308314/step Wall: 14960, 0.00308314/step, 0.178994 hours remaining, 234.589844 MB of memory in use. ENERGY: 4791000 3965.3832 20388.1995 14478.1958 252.8710 -203526.2251 3108.7689 0.0000 0.0000 51974.7065 -109358.1002 298.6994 -161332.8067 -108996.0183 299.3721 17.9956 47.4237 765246.6157 0.2557 0.3646 PRESSURE: 4791200 35.3404 125.37 99.8982 125.369 -19.1415 154.509 99.8981 154.51 -314.163 GPRESSURE: 4791200 -25.2875 130.433 154.182 7.44847 91.8731 183.629 237.449 109.96 -273.119 PRESSAVG: 4791200 -21.9414 -16.1531 10.3347 -16.153 89.218 5.06899 10.3348 5.06893 -10.6505 GPRESSAVG: 4791200 -21.255 -14.3243 10.539 -17.3464 88.2956 6.40216 12.8685 2.37884 -10.0968 TIMING: 4791200 CPU: 14960.6, 0.00308899/step Wall: 14960.6, 0.00308899/step, 0.179162 hours remaining, 234.589844 MB of memory in use. ENERGY: 4791200 3964.8184 20443.5177 14476.7479 239.0517 -203382.3748 2834.1234 0.0000 0.0000 51992.6931 -109431.4225 298.8027 -161424.1156 -109069.5529 298.5196 -99.3214 -68.8444 764616.1062 18.8754 18.9813 PRESSURE: 4791400 -85.4103 -39.6431 -66.1701 -39.6429 356.711 202.486 -66.1704 202.485 -143.636 GPRESSURE: 4791400 -68.7593 60.2268 -106.831 -79.2944 327.135 225.411 10.1638 245.285 -51.7307 PRESSAVG: 4791400 37.5795 20.2779 -49.662 20.2779 8.07099 -28.5359 -49.662 -28.536 -7.16308 GPRESSAVG: 4791400 36.5837 22.427 -50.8624 20.0236 8.92413 -29.8178 -51.7575 -26.0833 -7.17656 TIMING: 4791400 CPU: 14961.2, 0.00308745/step Wall: 14961.2, 0.00308745/step, 0.178901 hours remaining, 234.589844 MB of memory in use. ENERGY: 4791400 3962.2471 20491.0466 14462.9726 253.3817 -203456.6239 2936.3304 0.0000 0.0000 51981.1331 -109369.5124 298.7363 -161350.6455 -109006.7014 299.0138 42.5549 68.8818 764194.5549 12.8291 12.7771 PRESSURE: 4791600 274.887 -116.227 -358.967 -116.228 -78.6239 -186.619 -358.968 -186.619 359.452 GPRESSURE: 4791600 329.795 -48.686 -394.892 -168.313 -92.1942 -129.227 -271.254 -202.027 390.459 PRESSAVG: 4791600 -16.4709 -15.3788 -22.4101 -15.3788 10.6458 77.0002 -22.4101 77.0002 -8.9026 GPRESSAVG: 4791600 -15.3222 -17.4387 -23.1766 -13.6201 10.4778 79.2664 -21.0452 74.6907 -9.77582 TIMING: 4791600 CPU: 14961.8, 0.00309598/step Wall: 14961.8, 0.00309598/step, 0.179223 hours remaining, 234.589844 MB of memory in use. ENERGY: 4791600 3932.0993 20524.1058 14459.1440 243.2655 -203740.7087 3200.7665 0.0000 0.0000 52217.7416 -109163.5859 300.0961 -161381.3275 -108798.6221 299.3658 185.2382 209.3532 764349.2394 -4.9093 -4.8734 PRESSURE: 4791800 -147.136 99.9894 -62.7404 99.9901 -144.206 300.194 -62.7401 300.195 146.226 GPRESSURE: 4791800 -116.959 -7.5482 -77.0361 112.918 -171.81 253.646 -11.7931 331.148 239.097 PRESSAVG: 4791800 -26.7579 21.0029 -56.7433 21.0029 48.404 55.5773 -56.7433 55.5773 -2.81641 GPRESSAVG: 4791800 -27.1554 21.4071 -55.4206 20.449 47.604 55.0314 -57.0163 56.5338 -1.64867 TIMING: 4791800 CPU: 14962.4, 0.00310294/step Wall: 14962.4, 0.00310294/step, 0.179454 hours remaining, 234.589844 MB of memory in use. ENERGY: 4791800 4017.4704 20490.0722 14453.0924 249.6175 -203521.3048 2924.2844 0.0000 0.0000 52187.9232 -109198.8447 299.9247 -161386.7679 -108829.3927 299.2395 -48.3720 -16.5575 762540.7085 6.2765 6.2667 PRESSURE: 4792000 340.707 240.427 62.5307 240.427 151.678 -107.176 62.5307 -107.177 -6.75922 GPRESSURE: 4792000 403.599 238.819 7.59935 184.438 234.042 -135.842 74.2614 -47.3511 -73.0984 PRESSAVG: 4792000 30.9143 12.3686 -17.5401 12.3686 19.6403 28.6504 -17.5401 28.6505 3.25749 GPRESSAVG: 4792000 30.6925 10.2228 -18.0199 12.7092 20.6641 28.2408 -17.1812 29.0774 2.75928 TIMING: 4792000 CPU: 14963.1, 0.00309562/step Wall: 14963.1, 0.00309562/step, 0.178858 hours remaining, 234.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4792000 3980.5182 20716.0960 14411.9273 249.3117 -203389.3266 2748.5615 0.0000 0.0000 52245.5521 -109037.3598 300.2559 -161282.9119 -108676.8716 299.6403 161.8753 188.1808 761153.7552 17.9374 18.0386 PRESSURE: 4792200 -103.586 -12.3403 12.0479 -12.3405 -128.52 8.06778 12.0471 8.06784 -633.253 GPRESSURE: 4792200 -27.0555 82.6765 -23.7152 -12.1132 -125.145 26.6362 -122.766 -33.1113 -647.502 PRESSAVG: 4792200 1.46756 66.8076 73.2014 66.8076 -17.6994 22.9625 73.2014 22.9624 3.39817 GPRESSAVG: 4792200 2.63974 68.8378 74.1415 65.9741 -18.8402 24.4494 72.4859 20.4555 2.93153 TIMING: 4792200 CPU: 14963.7, 0.00309168/step Wall: 14963.7, 0.00309168/step, 0.178459 hours remaining, 234.589844 MB of memory in use. ENERGY: 4792200 3980.4503 20621.1844 14520.4086 263.7272 -203091.7217 2447.1585 0.0000 0.0000 51983.1195 -109275.6733 298.7477 -161258.7928 -108920.0538 299.3450 -288.4530 -266.5677 763025.1553 -4.2779 -4.4230 LDB: ============= START OF LOAD BALANCING ============== 14976.2 LDB: ============== END OF LOAD BALANCING =============== 14976.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14976.2 LDB: ============= START OF LOAD BALANCING ============== 14976.5 LDB: Largest compute 7028 load 0.032676 is 16.7% of average load 0.195208 LDB: Average compute 0.004400 is 2.3% of average load 0.195208 LDB: TIME 14976.5 LOAD: AVG 0.195208 MAX 0.21858 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.387 MB LDB: TIME 14976.5 LOAD: AVG 0.195208 MAX 0.21858 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.387 MB LDB: TIME 14976.5 LOAD: AVG 0.195208 MAX 0.214087 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.387 MB LDB: ============== END OF LOAD BALANCING =============== 14976.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14976.5 PRESSURE: 4792400 464.928 43.8699 -35.1128 43.8695 78.7541 120.218 -35.1128 120.219 108.725 GPRESSURE: 4792400 450.396 23.5194 -39.8674 27.8022 168.211 121.159 -21.3189 182.613 96.0617 PRESSAVG: 4792400 81.5651 -31.7745 -8.99922 -31.7745 -30.7142 20.5527 -8.99933 20.5528 -26.1283 GPRESSAVG: 4792400 80.563 -32.763 -9.9782 -30.2267 -30.5483 21.0972 -8.80117 21.971 -25.2603 TIMING: 4792400 CPU: 14964.3, 0.00315649/step Wall: 14964.3, 0.00315649/step, 0.182024 hours remaining, 235.339844 MB of memory in use. ENERGY: 4792400 4032.5749 20455.9252 14399.0034 250.8802 -203984.0033 2987.6269 0.0000 0.0000 52460.2623 -109397.7303 301.4898 -161857.9926 -109038.9212 299.4508 217.4692 238.2230 761574.9100 8.2409 8.2515 PRESSURE: 4792600 -255.355 147.357 -12.1805 147.357 25.5326 -76.0775 -12.1807 -76.0769 -28.1299 GPRESSURE: 4792600 -137.46 56.8661 29.6595 171.764 -35.3637 -29.1816 -39.2941 -25.4069 -22.0885 PRESSAVG: 4792600 40.2682 8.54127 1.16256 8.54127 -55.6416 35.4118 1.16257 35.4118 -8.72825 GPRESSAVG: 4792600 39.8187 8.24182 0.346092 6.9835 -54.3508 33.4332 1.82298 36.4355 -9.19015 TIMING: 4792600 CPU: 14964.9, 0.00307629/step Wall: 14964.9, 0.00307629/step, 0.177229 hours remaining, 235.800781 MB of memory in use. ENERGY: 4792600 4137.6855 20662.9818 14401.5360 253.7573 -203802.4571 2929.3544 0.0000 0.0000 52105.9347 -109311.2073 299.4535 -161417.1420 -108945.3334 299.1339 -85.9840 -64.9707 762388.6881 -8.0339 -7.9074 PRESSURE: 4792800 131.662 -173.046 -282.353 -173.045 -484.714 -134.709 -282.352 -134.708 388.398 GPRESSURE: 4792800 103.821 -186.018 -250.536 -47.7469 -327.719 -155.47 -224.913 -139.609 342.691 PRESSAVG: 4792800 -17.645 -16.507 -29.3443 -16.507 2.50113 -8.55 -29.3444 -8.55006 -14.6754 GPRESSAVG: 4792800 -18.3544 -16.2638 -30.1862 -15.5268 3.45945 -7.16935 -28.3003 -8.54686 -15.3953 TIMING: 4792800 CPU: 14965.5, 0.00307312/step Wall: 14965.5, 0.00307312/step, 0.176875 hours remaining, 235.800781 MB of memory in use. ENERGY: 4792800 3956.8651 20470.6554 14396.3199 254.2261 -203193.4588 2642.7005 0.0000 0.0000 52119.6313 -109353.0603 299.5322 -161472.6917 -108989.2871 299.4170 11.7817 39.5974 764584.7895 -9.9398 -10.0967 PRESSURE: 4793000 1.19682 -95.7555 -82.7233 -95.7556 318.176 88.4829 -82.7237 88.4832 -167.783 GPRESSURE: 4793000 42.7519 -87.2631 -26.0631 -38.0392 224.984 13.7708 -172.789 115.075 -65.1447 PRESSAVG: 4793000 -0.360575 -9.84824 -19.7349 -9.84819 -32.5172 47.1793 -19.7348 47.1793 0.486646 GPRESSAVG: 4793000 0.349658 -10.1494 -16.9434 -9.40131 -33.9337 44.851 -20.1161 46.0665 1.24759 TIMING: 4793000 CPU: 14966.2, 0.00308698/step Wall: 14966.2, 0.00308698/step, 0.177502 hours remaining, 235.800781 MB of memory in use. ENERGY: 4793000 3953.2801 20583.5835 14421.3882 235.5712 -203139.7366 2520.4151 0.0000 0.0000 52137.2260 -109288.2724 299.6334 -161425.4984 -108919.9229 299.3187 50.5297 67.5305 762328.3170 -10.7970 -10.7788 PRESSURE: 4793200 170.141 147.928 11.7348 147.927 182.344 108.92 11.7347 108.921 106.457 GPRESSURE: 4793200 254.975 108.863 36.1135 136.087 205.423 158.392 26.7241 131.588 70.932 PRESSAVG: 4793200 -7.65639 20.8586 -9.70496 20.8586 9.26187 10.2248 -9.70496 10.2248 19.9817 GPRESSAVG: 4793200 -7.32494 20.3474 -11.1719 18.24 8.73971 10.2627 -9.03346 11.2645 19.8932 TIMING: 4793200 CPU: 14966.8, 0.00307603/step Wall: 14966.8, 0.00307603/step, 0.176701 hours remaining, 235.812500 MB of memory in use. ENERGY: 4793200 4042.2492 20656.5533 14525.3730 252.8088 -203782.9366 3000.4181 0.0000 0.0000 52139.1725 -109166.3617 299.6445 -161305.5342 -108807.3317 299.0430 152.9809 177.1099 762704.9348 7.1957 7.1027 PRESSURE: 4793400 101.433 -78.8573 -1.13455 -78.8569 -186.159 26.337 -1.13532 26.3382 55.7164 GPRESSURE: 4793400 155.053 -33.3131 -28.4262 -34.5648 -109.718 77.7873 7.60748 140.289 13.2565 PRESSAVG: 4793400 27.051 7.64587 9.2806 7.64589 -33.3327 95.1787 9.28062 95.1785 24.3978 GPRESSAVG: 4793400 26.1047 7.76356 10.5269 7.1239 -32.6995 95.7818 5.82793 94.3708 24.0414 TIMING: 4793400 CPU: 14967.4, 0.00307603/step Wall: 14967.4, 0.00307603/step, 0.17653 hours remaining, 235.812500 MB of memory in use. ENERGY: 4793400 4061.4732 20594.6077 14477.7290 253.9306 -203295.4021 2766.9246 0.0000 0.0000 51976.6968 -109164.0402 298.7108 -161140.7370 -108806.0478 299.4590 -9.6699 19.5306 761644.0600 6.0387 5.8155 PRESSURE: 4793600 66.1307 250.746 37.9753 250.747 194.533 -73.7506 37.9754 -73.7497 -105.756 GPRESSURE: 4793600 60.5495 318.937 62.3818 243.306 180.086 -96.8089 -99.7878 38.6931 1.49563 PRESSAVG: 4793600 -6.57868 -29.7357 2.7099 -29.7356 -12.7204 43.9525 2.70987 43.9525 -9.05401 GPRESSAVG: 4793600 -7.07593 -29.2533 0.878323 -28.5288 -12.435 44.3949 3.96909 42.5411 -9.46259 TIMING: 4793600 CPU: 14968, 0.00308184/step Wall: 14968, 0.00308184/step, 0.176692 hours remaining, 235.812500 MB of memory in use. ENERGY: 4793600 4040.2522 20580.3843 14467.0525 223.2547 -203487.7632 2687.2587 0.0000 0.0000 52163.3514 -109326.2094 299.7835 -161489.5609 -108979.0696 299.1498 51.6357 80.7104 761511.1329 -9.4510 -9.6578 PRESSURE: 4793800 19.3221 -96.3116 -21.1154 -96.3117 131.113 -167.995 -21.1146 -167.995 -74.2285 GPRESSURE: 4793800 10.4449 -30.1726 -21.2458 -213.313 198.577 -126.929 18.6288 -169.625 -38.8422 PRESSAVG: 4793800 -2.74179 -6.63405 -11.1424 -6.63405 13.1489 41.2678 -11.1423 41.2678 -3.92757 GPRESSAVG: 4793800 -2.96645 -6.08809 -8.81296 -6.50903 11.8512 42.3156 -11.8861 42.0963 -3.09018 TIMING: 4793800 CPU: 14968.6, 0.00310478/step Wall: 14968.6, 0.00310478/step, 0.177835 hours remaining, 235.812500 MB of memory in use. ENERGY: 4793800 4054.5771 20756.8988 14454.3979 236.6180 -203428.9460 2827.3979 0.0000 0.0000 51892.0054 -109207.0510 298.2241 -161099.0564 -108857.4966 299.5076 25.4022 56.7266 762007.4168 2.1598 1.9315 PRESSURE: 4794000 -8.75601 -14.1302 296.91 -14.1296 160.308 108.35 296.909 108.35 -296.961 GPRESSURE: 4794000 53.5759 22.5348 329.031 35.8732 133.23 202.618 325.433 -52.0006 -245.385 PRESSAVG: 4794000 -2.27704 -1.73152 5.72202 -1.73154 30.3754 16.895 5.72209 16.8949 2.48677 GPRESSAVG: 4794000 -1.91734 -1.5242 6.35479 -2.16516 30.371 14.8957 7.05697 16.9166 2.65684 TIMING: 4794000 CPU: 14969.2, 0.00309744/step Wall: 14969.2, 0.00309744/step, 0.177242 hours remaining, 235.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4794000 4013.4636 20698.6710 14518.8407 244.7893 -203429.3437 2827.8338 0.0000 0.0000 51980.9161 -109144.8292 298.7350 -161125.7453 -108794.0392 300.0344 -48.4697 -19.5262 760975.9505 10.1951 10.3702 PRESSURE: 4794200 56.3246 73.114 -99.0146 73.1136 121.737 12.8195 -99.0145 12.8201 -331.24 GPRESSURE: 4794200 -8.56935 -47.0569 -59.5838 45.9635 179.382 45.9578 -82.8294 -161.197 -245.1 PRESSAVG: 4794200 -1.96255 15.2406 -18.3468 15.2406 21.7129 -8.33949 -18.3468 -8.33944 14.8634 GPRESSAVG: 4794200 -2.45336 14.7245 -18.4587 16.1126 22.1556 -7.72705 -19.403 -8.01737 14.2157 TIMING: 4794200 CPU: 14969.9, 0.00308437/step Wall: 14969.9, 0.00308437/step, 0.176323 hours remaining, 235.812500 MB of memory in use. ENERGY: 4794200 3977.2142 20650.6972 14440.0015 240.1158 -203399.1468 2759.0191 0.0000 0.0000 52097.1024 -109234.9966 299.4028 -161332.0990 -108868.3057 299.7331 -51.0595 -24.7623 763497.6920 11.5379 11.3060 PRESSURE: 4794400 -94.4971 187.933 -164.089 187.932 -0.98287 -31.0816 -164.089 -31.0817 -96.9655 GPRESSURE: 4794400 -73.6444 83.4781 -222.838 144.526 -40.8677 -85.6804 -113.124 58.4087 15.0826 PRESSAVG: 4794400 34.7172 15.7605 43.2499 15.7606 -50.023 -7.80866 43.2499 -7.80861 -5.83447 GPRESSAVG: 4794400 35.2869 16.8701 43.2864 14.3401 -50.3107 -7.16936 43.1724 -7.94028 -5.66798 TIMING: 4794400 CPU: 14970.5, 0.00307286/step Wall: 14970.5, 0.00307286/step, 0.175494 hours remaining, 235.812500 MB of memory in use. ENERGY: 4794400 3970.9671 20469.7299 14429.0103 239.4614 -203184.8709 2816.2405 0.0000 0.0000 51968.9044 -109290.5574 298.6660 -161259.4618 -108922.3017 299.5221 -64.1485 -33.1432 764027.2736 -7.0468 -6.8973 PRESSURE: 4794600 -34.302 -115.771 151.935 -115.771 112.051 112.697 151.935 112.697 246.01 GPRESSURE: 4794600 33.7459 9.3671 201.255 -169.423 209.612 193.502 46.4976 157.373 171.149 PRESSAVG: 4794600 70.7563 2.48786 33.3454 2.48787 -70.5945 -25.3162 33.3454 -25.3162 -9.36628 GPRESSAVG: 4794600 70.9333 3.49655 31.5045 3.14008 -69.3518 -26.0318 34.8307 -24.3962 -9.94468 TIMING: 4794600 CPU: 14971.1, 0.00307425/step Wall: 14971.1, 0.00307425/step, 0.175403 hours remaining, 235.812500 MB of memory in use. ENERGY: 4794600 4074.0026 20526.6406 14397.6641 264.5203 -203512.8086 3007.6195 0.0000 0.0000 52008.9869 -109233.3746 298.8964 -161242.3615 -108871.4450 299.6135 107.9193 138.1687 762223.5630 -3.0681 -2.7877 PRESSURE: 4794800 -10.2647 39.8823 180.086 39.8835 32.757 176.811 180.086 176.811 8.3859 GPRESSURE: 4794800 -62.9038 -6.34106 194.93 28.9554 96.9165 171.429 154.412 83.8289 65.8668 PRESSAVG: 4794800 58.4511 -2.75518 71.2948 -2.75521 -67.1497 -40.658 71.2949 -40.658 15.9655 GPRESSAVG: 4794800 58.9899 -4.16807 69.1175 -1.57517 -68.1316 -38.8547 73.2597 -41.1658 16.6647 TIMING: 4794800 CPU: 14971.7, 0.00309236/step Wall: 14971.7, 0.00309236/step, 0.176265 hours remaining, 235.812500 MB of memory in use. ENERGY: 4794800 4009.7410 20669.0512 14463.5336 234.4948 -203432.7727 2883.9547 0.0000 0.0000 52054.4836 -109117.5137 299.1578 -161171.9973 -108749.4611 299.8780 10.2927 33.2932 761885.9940 2.4223 2.5077 PRESSURE: 4795000 19.713 197.046 -107.129 197.047 -233.781 79.944 -107.13 79.9441 139.949 GPRESSURE: 4795000 4.22004 99.1858 -145.129 125.686 -110.354 68.2055 -121.872 34.4454 104.185 PRESSAVG: 4795000 22.6216 48.9701 -2.80782 48.9701 -45.235 39.3394 -2.80777 39.3395 -7.24426 GPRESSAVG: 4795000 22.8609 50.1118 -0.752501 47.2579 -45.9061 38.4367 -5.59797 38.3953 -6.99498 TIMING: 4795000 CPU: 14972.3, 0.00308427/step Wall: 14972.3, 0.00308427/step, 0.175632 hours remaining, 235.812500 MB of memory in use. ENERGY: 4795000 4001.1826 20581.3352 14449.0158 258.7675 -203345.7251 2715.3269 0.0000 0.0000 52166.2246 -109173.8725 299.8000 -161340.0971 -108804.2883 298.9286 -24.7061 -0.6496 761797.8249 -9.9526 -10.0134 PRESSURE: 4795200 9.67964 -81.7095 38.1746 -81.7096 -182.079 122.959 38.1742 122.959 -3.45326 GPRESSURE: 4795200 47.1006 -11.8308 30.5141 -86.3494 -121.664 102.512 17.7179 210.688 -0.9114 PRESSAVG: 4795200 32.8002 44.4771 32.1611 44.4771 -52.2627 -67.3629 32.1612 -67.3629 -2.87294 GPRESSAVG: 4795200 32.9012 43.5785 32.5223 44.4931 -51.8384 -68.3014 33.8312 -66.0673 -3.28537 TIMING: 4795200 CPU: 14972.9, 0.00307178/step Wall: 14972.9, 0.00307178/step, 0.17475 hours remaining, 235.812500 MB of memory in use. ENERGY: 4795200 4053.9178 20687.9502 14524.1906 250.2073 -203514.9082 2839.2369 0.0000 0.0000 52017.8161 -109141.5893 298.9471 -161159.4054 -108786.0183 299.1708 -58.6176 -25.1582 761592.6699 -7.4451 -7.4075 PRESSURE: 4795400 168.343 -42.6979 -43.9802 -42.6974 45.2645 -7.02816 -43.9802 -7.02716 78.4623 GPRESSURE: 4795400 306.803 -180.945 -21.5444 -90.3579 42.8687 41.4106 -37.5733 -87.2198 28.8212 PRESSAVG: 4795400 -19.1111 24.7357 -16.9668 24.7356 -1.22102 -24.3957 -16.9669 -24.3957 -9.78653 GPRESSAVG: 4795400 -19.3731 24.5301 -17.7163 25.4347 -1.62897 -23.2001 -16.3533 -26.3665 -8.67931 TIMING: 4795400 CPU: 14973.6, 0.0030741/step Wall: 14973.6, 0.0030741/step, 0.174711 hours remaining, 235.812500 MB of memory in use. ENERGY: 4795400 4008.5843 20701.7363 14551.1070 231.4460 -203552.0061 2817.5392 0.0000 0.0000 52110.1213 -109131.4720 299.4776 -161241.5933 -108770.0370 299.2241 97.3567 126.1644 762457.7709 -10.0395 -9.8938 PRESSURE: 4795600 -157.247 27.4256 214.42 27.4257 -468.715 77.1097 214.42 77.111 95.0255 GPRESSURE: 4795600 -89.9959 142.533 255.015 -17.9853 -442.191 55.1585 19.0881 -41.8294 90.0706 PRESSAVG: 4795600 22.2414 -3.08306 21.2346 -3.08301 -52.4525 -32.6576 21.2345 -32.6577 -3.9275 GPRESSAVG: 4795600 22.8095 -3.21954 20.7358 -2.28021 -52.4878 -34.5162 18.7469 -31.952 -4.68605 TIMING: 4795600 CPU: 14974.2, 0.00307089/step Wall: 14974.2, 0.0030709/step, 0.174359 hours remaining, 235.812500 MB of memory in use. ENERGY: 4795600 3991.0348 20446.1213 14534.8287 257.6510 -202769.6641 2189.7625 0.0000 0.0000 52003.8171 -109346.4486 298.8667 -161350.2657 -108974.0817 298.8575 -176.9786 -147.3721 762877.5182 -11.3796 -11.4548 PRESSURE: 4795800 -15.5474 -22.7127 113.112 -22.7129 -183.365 -115.802 113.111 -115.801 201.915 GPRESSURE: 4795800 80.0045 -67.7843 72.7739 -79.2378 -163.054 -107.359 78.9671 -85.2314 164.678 PRESSAVG: 4795800 29.5938 20.1945 23.5619 20.1945 -45.6317 -9.32427 23.5619 -9.32434 -27.0334 GPRESSAVG: 4795800 28.5695 21.819 24.5478 20.1221 -45.2649 -8.67488 24.7223 -8.13833 -26.3879 TIMING: 4795800 CPU: 14974.8, 0.003094/step Wall: 14974.8, 0.003094/step, 0.175498 hours remaining, 235.812500 MB of memory in use. ENERGY: 4795800 4046.1793 20626.0124 14453.6227 254.6231 -203634.8161 2877.6304 0.0000 0.0000 52002.3703 -109374.3780 298.8583 -161376.7482 -109002.6375 298.8632 1.0008 27.2097 761628.2426 -14.3571 -14.3611 PRESSURE: 4796000 468.02 36.043 -176.679 36.0428 193.948 -112.79 -176.68 -112.791 157.748 GPRESSURE: 4796000 428.67 -74.6649 -98.2798 11.5931 221.586 -133.833 -219.689 -222.319 244.449 PRESSAVG: 4796000 70.4372 69.9886 27.797 69.9886 -36.1896 3.29155 27.797 3.29156 3.24184 GPRESSAVG: 4796000 70.4244 68.3086 29.4518 69.634 -35.7444 3.28443 28.7383 0.87577 2.67387 TIMING: 4796000 CPU: 14975.4, 0.00307901/step Wall: 14975.4, 0.00307901/step, 0.174477 hours remaining, 235.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4796000 3922.1058 20454.1972 14496.6374 238.1641 -203488.4149 2854.3856 0.0000 0.0000 52012.6381 -109510.2867 298.9173 -161522.9248 -109143.1086 298.5065 273.2385 298.2353 762376.5876 12.4965 12.4513 PRESSURE: 4796200 -242.139 44.1927 -105.775 44.1929 -135.29 -79.3404 -105.776 -79.3417 408.818 GPRESSURE: 4796200 -169.88 56.9258 -56.0069 50.1318 -93.3305 -24.1964 -230.957 63.9571 370.268 PRESSAVG: 4796200 13.6566 -3.12195 -22.0084 -3.12199 -24.2717 -34.182 -22.0084 -34.1821 18.5746 GPRESSAVG: 4796200 13.6413 -2.54112 -23.2057 -4.43825 -23.9599 -33.9173 -23.9919 -32.3719 18.3405 TIMING: 4796200 CPU: 14976, 0.00309257/step Wall: 14976, 0.00309257/step, 0.175074 hours remaining, 235.812500 MB of memory in use. ENERGY: 4796200 3978.3271 20488.9510 14384.3776 226.5860 -203549.9655 2655.2574 0.0000 0.0000 52302.2028 -109514.2635 300.5815 -161816.4663 -109157.3020 298.7349 10.4629 35.6856 761820.8463 2.6532 2.6740 LDB: ============= START OF LOAD BALANCING ============== 14988.5 LDB: ============== END OF LOAD BALANCING =============== 14988.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14988.5 LDB: ============= START OF LOAD BALANCING ============== 14988.8 LDB: Largest compute 7028 load 0.033858 is 17.3% of average load 0.195332 LDB: Average compute 0.004397 is 2.3% of average load 0.195332 LDB: TIME 14988.8 LOAD: AVG 0.195332 MAX 0.216889 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.828 MB LDB: TIME 14988.8 LOAD: AVG 0.195332 MAX 0.216889 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.828 MB LDB: TIME 14988.8 LOAD: AVG 0.195332 MAX 0.216889 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.828 MB LDB: ============== END OF LOAD BALANCING =============== 14988.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14988.8 PRESSURE: 4796400 -258.482 64.4363 -57.7643 64.4371 -164.93 -157.752 -57.7648 -157.753 -107.95 GPRESSURE: 4796400 -238.359 -6.88638 -172.957 46.5103 -107.039 -95.6536 16.5535 -228.366 -80.3298 PRESSAVG: 4796400 14.151 -62.9647 32.2991 -62.9646 28.8154 3.43458 32.2991 3.43464 -1.27754 GPRESSAVG: 4796400 13.6301 -62.7857 32.5458 -62.6702 28.1809 3.26043 32.7445 3.89852 -0.563423 TIMING: 4796400 CPU: 14976.7, 0.00315718/step Wall: 14976.7, 0.00315718/step, 0.178556 hours remaining, 233.980469 MB of memory in use. ENERGY: 4796400 4002.5542 20567.5067 14462.5399 251.6536 -203387.6191 2699.2035 0.0000 0.0000 51838.3479 -109565.8131 297.9157 -161404.1610 -109212.5734 298.6384 -177.1207 -141.9094 761061.0508 13.8963 13.7492 PRESSURE: 4796600 -412.988 -81.5658 55.2671 -81.5658 -285.125 17.0063 55.2668 17.0051 -220.915 GPRESSURE: 4796600 -370.393 -47.5 49.6986 -34.0073 -280.165 97.0745 120.885 4.93761 -192.299 PRESSAVG: 4796600 36.0995 -11.7694 -0.000382315 -11.7694 -21.6878 -17.345 -0.000475647 -17.345 6.94458 GPRESSAVG: 4796600 36.2702 -11.0007 1.04405 -9.39233 -22.2829 -16.7348 -1.22532 -18.9514 6.59989 TIMING: 4796600 CPU: 14977.3, 0.00308672/step Wall: 14977.3, 0.00308672/step, 0.1744 hours remaining, 234.183594 MB of memory in use. ENERGY: 4796600 4034.8476 20621.0160 14510.2807 245.5181 -203457.9662 2487.5756 0.0000 0.0000 52217.5856 -109341.1425 300.0952 -161558.7281 -108978.1493 299.0957 -306.3428 -280.9525 761626.2417 7.1188 6.8624 PRESSURE: 4796800 5.23389 -50.642 4.09628 -50.6413 120.58 -101.081 4.09609 -101.081 297.454 GPRESSURE: 4796800 1.08727 3.17503 -23.2285 -49.9535 130.225 -81.6941 -52.7267 -142.549 366.627 PRESSAVG: 4796800 25.205 33.516 93.8067 33.516 -34.6002 -48.4803 93.8068 -48.4803 9.79619 GPRESSAVG: 4796800 25.4995 33.6151 91.5212 32.3098 -34.6176 -47.9129 93.4062 -48.4814 9.07751 TIMING: 4796800 CPU: 14977.9, 0.00309008/step Wall: 14977.9, 0.00309008/step, 0.174418 hours remaining, 234.183594 MB of memory in use. ENERGY: 4796800 3989.9347 20462.5017 14465.0347 259.5948 -203449.1686 2846.7982 0.0000 0.0000 52080.0513 -109345.2533 299.3048 -161425.3046 -108978.2220 299.2405 141.0894 165.9798 762224.5559 0.1337 -0.0135 PRESSURE: 4797000 -216.106 -285.577 155.5 -285.578 26.571 74.7255 155.5 74.7257 -198.17 GPRESSURE: 4797000 -76.4223 -221.81 80.9241 -321.328 -54.8954 74.2795 165.238 7.24967 -153.278 PRESSAVG: 4797000 42.0488 7.51599 45.7717 7.516 -20.2139 1.65825 45.7716 1.65814 20.865 GPRESSAVG: 4797000 42.1369 7.23285 46.222 6.51036 -19.8156 3.15603 47.598 0.748446 20.6679 TIMING: 4797000 CPU: 14978.5, 0.00307711/step Wall: 14978.5, 0.00307711/step, 0.173515 hours remaining, 234.183594 MB of memory in use. ENERGY: 4797000 3891.6032 20513.9426 14506.7749 258.4544 -203660.4550 2842.5059 0.0000 0.0000 52200.4989 -109446.6751 299.9970 -161647.1740 -109081.2265 298.8506 -129.2350 -94.8652 761429.6207 14.2333 14.3297 PRESSURE: 4797200 -120.84 -162.71 52.9953 -162.711 -227.912 -74.5278 52.9947 -74.5277 33.7925 GPRESSURE: 4797200 -111.192 -242.193 61.9442 -218.579 -125.392 -111.179 68.3227 -161.97 6.43458 PRESSAVG: 4797200 26.2535 8.44257 11.6489 8.44245 -5.06653 0.701721 11.6489 0.701739 -8.69686 GPRESSAVG: 4797200 25.659 7.82526 11.9407 10.3276 -4.53849 -3.37528 10.5376 4.93466 -9.00365 TIMING: 4797200 CPU: 14979.1, 0.0030887/step Wall: 14979.1, 0.0030887/step, 0.173997 hours remaining, 234.183594 MB of memory in use. ENERGY: 4797200 3965.8166 20467.5240 14429.2492 263.4315 -203077.4678 2392.0463 0.0000 0.0000 52140.7083 -109418.6918 299.6534 -161559.4001 -109064.4289 299.0324 -104.9866 -76.7165 763787.6534 4.1634 4.0390 PRESSURE: 4797400 5.73158 86.0095 81.9318 86.0097 -315.127 -31.3451 81.9313 -31.3455 256.28 GPRESSURE: 4797400 3.46795 33.8161 40.8129 -32.6268 -140.185 -31.4808 105.308 -69.0638 166.662 PRESSAVG: 4797400 11.3459 -8.1091 72.6272 -8.10905 -56.8769 -10.9154 72.6272 -10.9154 11.0822 GPRESSAVG: 4797400 11.0768 -8.01497 71.726 -9.12663 -57.1748 -8.73171 73.4238 -13.2837 11.504 TIMING: 4797400 CPU: 14979.7, 0.00308764/step Wall: 14979.7, 0.00308764/step, 0.173766 hours remaining, 234.183594 MB of memory in use. ENERGY: 4797400 4041.7384 20418.0287 14462.9841 262.4987 -203246.5647 2680.7278 0.0000 0.0000 52022.1819 -109358.4050 298.9722 -161380.5869 -109006.1842 299.0214 -17.7052 9.9816 761995.7417 -11.4829 -11.5313 PRESSURE: 4797600 -62.2705 -20.9491 -186.423 -20.9504 -423.168 99.5869 -186.423 99.5874 -418.712 GPRESSURE: 4797600 3.53905 17.3252 -195.331 -49.6501 -489.401 27.9608 -183.093 11.7605 -325.731 PRESSAVG: 4797600 27.3298 -48.4134 -2.4058 -48.4134 20.844 -28.1961 -2.40582 -28.1961 -23.4866 GPRESSAVG: 4797600 26.5323 -46.6228 -1.97889 -49.4381 21.3864 -28.7013 -2.4375 -27.806 -23.2644 TIMING: 4797600 CPU: 14980.4, 0.00307958/step Wall: 14980.4, 0.00307958/step, 0.173141 hours remaining, 234.183594 MB of memory in use. ENERGY: 4797600 3950.4442 20626.1798 14503.8182 248.2545 -203419.0277 2672.7692 0.0000 0.0000 51993.2961 -109424.2658 298.8062 -161417.5619 -109067.3449 299.3397 -301.3837 -270.5308 763284.9528 8.2291 8.2181 PRESSURE: 4797800 -66.2635 -223.948 50.7508 -223.949 -16.8815 39.6033 50.7504 39.6034 229.771 GPRESSURE: 4797800 -59.1991 -130.825 28.2177 -232.6 79.4576 -24.9031 54.0111 106.773 198.617 PRESSAVG: 4797800 -29.3829 12.8287 -40.7587 12.8287 -6.94066 36.3013 -40.7587 36.3012 -10.4325 GPRESSAVG: 4797800 -27.6397 8.85585 -41.7993 15.6805 -7.36355 35.2155 -39.1761 35.9775 -11.5852 TIMING: 4797800 CPU: 14981, 0.00308403/step Wall: 14981, 0.00308403/step, 0.17322 hours remaining, 234.183594 MB of memory in use. ENERGY: 4797800 3996.9092 20696.7165 14412.1124 261.5005 -203832.7554 3045.1467 0.0000 0.0000 52120.2313 -109300.1387 299.5357 -161420.3701 -108931.6661 299.6300 48.8753 72.9584 761265.0471 -15.5853 -15.5295 PRESSURE: 4798000 -156.418 39.6924 180.911 39.6927 87.9427 224.674 180.911 224.674 -316.687 GPRESSURE: 4798000 -123.672 9.10557 209.454 38.536 147.479 256.105 188.904 213.701 -306.888 PRESSAVG: 4798000 -48.5279 3.30752 53.6641 3.3075 55.5357 43.0425 53.664 43.0424 -7.90776 GPRESSAVG: 4798000 -49.7282 7.12223 53.7892 0.541179 54.8701 44.2948 54.611 44.1187 -5.86289 TIMING: 4798000 CPU: 14981.6, 0.00309744/step Wall: 14981.6, 0.00309744/step, 0.173801 hours remaining, 234.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4798000 3895.9876 20608.3173 14495.0962 242.2897 -202824.2725 2324.1336 0.0000 0.0000 52103.4830 -109154.9651 299.4394 -161258.4481 -108784.3477 299.6400 -128.3875 -94.3601 762536.2563 -0.3000 -0.2403 PRESSURE: 4798200 237.571 1.00318 88.3623 1.00334 -77.7088 17.7006 88.3624 17.7 -22.3521 GPRESSURE: 4798200 219.073 58.2722 65.4365 -30.8892 21.6649 17.9981 62.2525 -11.202 -19.627 PRESSAVG: 4798200 13.1991 12.7169 33.2594 12.7168 -16.1875 3.11765 33.2594 3.11771 10.1379 GPRESSAVG: 4798200 12.347 10.4183 34.5081 13.6831 -13.8705 3.04498 29.566 1.82559 8.05583 TIMING: 4798200 CPU: 14982.2, 0.00307267/step Wall: 14982.2, 0.00307267/step, 0.17224 hours remaining, 234.183594 MB of memory in use. ENERGY: 4798200 3929.3059 20658.9844 14523.0712 240.9369 -203332.2040 2746.1741 0.0000 0.0000 52048.5398 -109185.1917 299.1237 -161233.7315 -108820.6540 299.2762 45.8368 73.7038 763201.8420 2.3832 2.1774 PRESSURE: 4798400 -100.982 -135.92 -84.6672 -135.92 -165.112 35.453 -84.6659 35.4531 -290.623 GPRESSURE: 4798400 -56.6334 -124.015 22.9355 -157.373 -80.8829 39.3885 -119.863 -8.19361 -312.565 PRESSAVG: 4798400 -5.55247 33.2861 46.748 33.2862 -17.4097 -5.38094 46.7479 -5.38095 0.0214609 GPRESSAVG: 4798400 -4.84122 36.8722 47.2687 31.6902 -18.8331 -5.49083 49.1514 -6.80571 0.964679 TIMING: 4798400 CPU: 14982.8, 0.00309303/step Wall: 14982.8, 0.00309303/step, 0.17321 hours remaining, 234.183594 MB of memory in use. ENERGY: 4798400 3992.3221 20556.4384 14455.9008 241.8639 -202798.3602 2450.5198 0.0000 0.0000 51909.4422 -109191.8730 298.3243 -161101.3152 -108831.0727 299.3163 -185.5723 -150.0272 765022.0681 -7.6469 -7.5699 PRESSURE: 4798600 -61.7203 -36.5002 142.004 -36.5004 -16.4 -65.1757 142.003 -65.1757 150.142 GPRESSURE: 4798600 15.0725 55.0373 159.782 -43.1373 -39.7007 -33.1258 33.7593 -10.7244 199.537 PRESSAVG: 4798600 -3.34111 2.75283 48.6661 2.75284 11.5656 10.3637 48.666 10.3637 -3.33836 GPRESSAVG: 4798600 -2.95965 -0.463527 48.2547 5.79681 11.6523 10.7074 48.655 10.5876 -3.77874 TIMING: 4798600 CPU: 14983.4, 0.00310392/step Wall: 14983.4, 0.00310392/step, 0.173647 hours remaining, 234.183594 MB of memory in use. ENERGY: 4798600 3846.9272 20530.9090 14459.4055 249.8419 -203087.9797 2739.8879 0.0000 0.0000 51885.6647 -109375.3435 298.1876 -161261.0082 -109014.5802 299.2945 24.0072 58.3029 762964.5300 1.6287 1.6380 PRESSURE: 4798800 -69.814 -52.6005 156.992 -52.6006 -296.708 -4.8631 156.992 -4.86224 32.8761 GPRESSURE: 4798800 17.7019 -38.6251 113.571 -75.5032 -295.977 -8.41446 9.3074 3.01136 24.9928 PRESSAVG: 4798800 -17.85 -11.9303 -16.522 -11.9303 23.2839 42.3241 -16.522 42.3241 -11.2427 GPRESSAVG: 4798800 -17.351 -9.96081 -16.4785 -14.7879 21.8503 41.3553 -17.0189 44.5195 -10.5691 TIMING: 4798800 CPU: 14984.1, 0.00308466/step Wall: 14984.1, 0.00308466/step, 0.172398 hours remaining, 234.183594 MB of memory in use. ENERGY: 4798800 3969.9556 20385.5669 14443.1131 275.1229 -203169.9108 2519.8202 0.0000 0.0000 52143.4224 -109432.9097 299.6690 -161576.3321 -109066.2460 299.2237 -111.2154 -84.4275 762661.7328 -1.9363 -2.0233 PRESSURE: 4799000 173.175 -28.365 71.8354 -28.3647 -29.0801 51.4749 71.8355 51.4743 17.501 GPRESSURE: 4799000 171.487 -27.093 8.37457 70.06 2.19123 55.7594 74.2727 61.2041 52.2082 PRESSAVG: 4799000 15.0909 -22.5148 0.0186944 -22.5148 2.28782 23.1227 0.0187662 23.1227 7.40544 GPRESSAVG: 4799000 14.5859 -25.3262 -0.731515 -20.1501 2.89303 24.4376 3.50633 20.8151 6.98962 TIMING: 4799000 CPU: 14984.7, 0.00308931/step Wall: 14984.7, 0.00308931/step, 0.172486 hours remaining, 234.183594 MB of memory in use. ENERGY: 4799000 4014.5032 20480.9343 14466.0422 232.8656 -202929.3195 2456.7583 0.0000 0.0000 51937.3556 -109340.8604 298.4847 -161278.2159 -108985.0144 298.8445 53.8654 75.2953 763752.9100 8.2614 8.1562 PRESSURE: 4799200 -10.561 405.543 41.6202 405.543 -522.851 -263.514 41.6203 -263.514 160.143 GPRESSURE: 4799200 -13.0394 283.039 86.9233 475.935 -423.493 -163.46 115.247 -321.205 163.204 PRESSAVG: 4799200 38.2661 9.75799 2.45333 9.75803 -4.23353 -36.48 2.45334 -36.48 -18.0703 GPRESSAVG: 4799200 36.692 11.2071 4.09734 9.08511 -2.75063 -37.9524 -0.671773 -35.2884 -18.0956 TIMING: 4799200 CPU: 14985.3, 0.00310368/step Wall: 14985.3, 0.00310368/step, 0.173116 hours remaining, 234.183594 MB of memory in use. ENERGY: 4799200 4002.8446 20409.8337 14552.6538 271.1679 -203480.5202 2693.4562 0.0000 0.0000 51967.2872 -109583.2769 298.6567 -161550.5641 -109227.9976 298.4276 -124.4229 -91.1093 761563.3318 5.3208 5.2819 PRESSURE: 4799400 36.0377 148.356 273.78 148.356 -62.8853 454.642 273.781 454.642 165.047 GPRESSURE: 4799400 34.6253 185.654 294.822 74.0442 -11.3762 401.835 94.4085 451.279 222.413 PRESSAVG: 4799400 -11.243 -22.2966 60.7368 -22.2966 -22.4406 24.2358 60.7368 24.2358 8.25532 GPRESSAVG: 4799400 -10.7182 -22.412 58.6917 -21.1428 -23.6925 23.9811 60.8909 22.5951 9.25162 TIMING: 4799400 CPU: 14985.9, 0.00308938/step Wall: 14985.9, 0.00308938/step, 0.172147 hours remaining, 234.183594 MB of memory in use. ENERGY: 4799400 3950.2466 20421.7762 14448.6589 231.1939 -203507.9376 2685.6461 0.0000 0.0000 52181.4952 -109588.9208 299.8878 -161770.4160 -109225.2255 298.4539 46.0665 81.8872 762390.2436 -8.4761 -8.3864 PRESSURE: 4799600 -338.683 -212.927 -70.4554 -212.927 -248.206 -24.0437 -70.4555 -24.0434 95.0414 GPRESSURE: 4799600 -314.592 -269.464 -91.1408 -158.329 -159.829 -3.59572 -151.629 -35.4527 88.0284 PRESSAVG: 4799600 29.5628 -8.86343 -21.0591 -8.8634 -54.3276 7.54193 -21.059 7.54187 -6.61274 GPRESSAVG: 4799600 31.3396 -6.75232 -20.2976 -9.55768 -53.5259 8.7602 -23.0782 6.9779 -8.76793 TIMING: 4799600 CPU: 14986.5, 0.00308668/step Wall: 14986.5, 0.00308668/step, 0.171825 hours remaining, 234.183594 MB of memory in use. ENERGY: 4799600 4008.6998 20463.9136 14523.7232 250.3425 -203145.0864 2691.2470 0.0000 0.0000 51912.6783 -109294.4820 298.3429 -161207.1602 -108936.7839 298.6083 -163.9493 -128.7976 763630.2188 -10.4592 -10.3181 PRESSURE: 4799800 -122.09 188.05 -73.5291 188.051 68.8433 -91.4038 -73.5288 -91.4048 100.092 GPRESSURE: 4799800 -31.2027 123.03 -155.543 53.0584 39.8211 -4.74222 19.4366 -82.8589 132.29 PRESSAVG: 4799800 25.5252 7.1402 1.76128 7.14024 -36.6381 -4.39316 1.76128 -4.39309 24.5992 GPRESSAVG: 4799800 23.2778 3.90066 1.43106 6.3782 -36.0711 -2.6567 3.83815 -2.95527 26.01 TIMING: 4799800 CPU: 14987.2, 0.00309136/step Wall: 14987.2, 0.00309136/step, 0.171914 hours remaining, 234.183594 MB of memory in use. ENERGY: 4799800 3994.2226 20453.7236 14418.0844 240.7580 -203103.3857 2744.8074 0.0000 0.0000 52099.0678 -109152.7221 299.4141 -161251.7899 -108794.1316 299.1848 15.6153 46.9694 763707.6093 4.4954 4.4055 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 4800000 WRITING COORDINATES TO RESTART FILE AT STEP 4800000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4800000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4800000 208.467 -42.4189 -61.6575 -42.4196 158.407 -4.26142 -61.6571 -4.26172 60.6897 GPRESSURE: 4800000 270.143 -60.3934 6.96804 -154.007 192.408 -83.9149 -74.3131 -43.8527 56.5682 PRESSAVG: 4800000 -18.6511 35.2693 -3.32085 35.2693 13.3718 6.7733 -3.32092 6.77333 10.1839 GPRESSAVG: 4800000 -17.1142 37.1436 -3.26039 35.9462 11.2242 4.81792 -4.27051 7.07023 10.6053 TIMING: 4800000 CPU: 14987.8, 0.00319381/step Wall: 14987.8, 0.00319381/step, 0.177434 hours remaining, 234.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4800000 3967.3404 20455.5168 14381.7872 242.6994 -203241.0322 2884.2168 0.0000 0.0000 51904.4359 -109405.0357 298.2955 -161309.4716 -109032.8818 298.7083 142.5210 173.0395 762605.6539 1.6348 1.5718 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4800000 PRESSURE: 4800200 -55.8338 103.173 47.9285 103.173 -187.994 144.856 47.9291 144.857 303.197 GPRESSURE: 4800200 -57.8462 108.41 95.6981 24.2686 -68.2294 102.677 -12.6594 59.5304 291.391 PRESSAVG: 4800200 -32.6153 1.95706 -18.8956 1.95704 40.4596 9.56706 -18.8957 9.56714 -2.21569 GPRESSAVG: 4800200 -33.5177 0.784202 -18.862 1.56786 42.4818 8.18865 -16.8965 8.82531 -2.89399 TIMING: 4800200 CPU: 14988.4, 0.00310296/step Wall: 14988.4, 0.00310296/step, 0.172214 hours remaining, 234.183594 MB of memory in use. ENERGY: 4800200 3962.7685 20421.7893 14430.5631 254.9968 -203270.4046 2662.6145 0.0000 0.0000 52048.9531 -109488.7193 299.1260 -161537.6724 -109128.8790 298.7173 19.7898 55.1051 763089.0905 1.8762 2.0234 LDB: ============= START OF LOAD BALANCING ============== 15000.9 LDB: ============== END OF LOAD BALANCING =============== 15000.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15000.9 LDB: ============= START OF LOAD BALANCING ============== 15001.2 LDB: Largest compute 7028 load 0.032224 is 16.5% of average load 0.195306 LDB: Average compute 0.004391 is 2.2% of average load 0.195306 LDB: TIME 15001.2 LOAD: AVG 0.195306 MAX 0.218479 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.887 MB LDB: TIME 15001.2 LOAD: AVG 0.195306 MAX 0.218479 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.891 MB LDB: TIME 15001.2 LOAD: AVG 0.195306 MAX 0.217795 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.891 MB LDB: ============== END OF LOAD BALANCING =============== 15001.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15001.2 PRESSURE: 4800400 378.801 -20.7184 111.985 -20.7182 232.463 -71.0585 111.986 -71.0585 103.654 GPRESSURE: 4800400 371.964 43.3238 1.78213 -15.4443 230.432 16.4703 172.027 -132.415 206.812 PRESSAVG: 4800400 -19.1654 -16.3671 8.38801 -16.3671 -2.85695 7.25 8.38806 7.24999 13.7507 GPRESSAVG: 4800400 -18.5568 -16.3713 10.2946 -13.2942 -3.49523 8.17345 5.87631 7.47065 13.8419 TIMING: 4800400 CPU: 14989, 0.00315831/step Wall: 14989, 0.00315831/step, 0.175111 hours remaining, 233.546875 MB of memory in use. ENERGY: 4800400 4038.6041 20471.5503 14436.5015 267.3291 -203331.2767 2884.3325 0.0000 0.0000 51707.3772 -109525.5820 297.1630 -161232.9592 -109176.8357 298.8183 238.3062 269.7359 762192.7355 -2.7572 -2.7367 PRESSURE: 4800600 -278.724 -79.6458 -181.336 -79.6458 -448.514 -238.915 -181.337 -238.915 165.765 GPRESSURE: 4800600 -218.962 -178.702 -144.023 -80.6515 -400.94 -234.882 -113.381 -290.806 118.594 PRESSAVG: 4800600 53.8326 -3.77924 9.16314 -3.77929 -70.6663 -10.9464 9.16317 -10.9464 24.9138 GPRESSAVG: 4800600 53.751 -4.43074 6.24293 -6.92165 -70.9495 -10.6536 12.6661 -10.4349 24.9486 TIMING: 4800600 CPU: 14989.7, 0.00308468/step Wall: 14989.7, 0.00308468/step, 0.170857 hours remaining, 233.546875 MB of memory in use. ENERGY: 4800600 4058.0417 20427.3193 14445.2669 238.8037 -203250.9057 2565.5438 0.0000 0.0000 51999.2582 -109516.6720 298.8405 -161515.9302 -109151.0932 298.8661 -187.1574 -167.1024 762758.3519 2.6934 2.5834 PRESSURE: 4800800 124.214 -49.5363 313.37 -49.5362 206.232 -21.2885 313.37 -21.2891 127.729 GPRESSURE: 4800800 210.988 -53.7333 285.214 -207.223 216.911 -18.7552 177.221 -20.6332 78.2921 PRESSAVG: 4800800 78.9663 -40.144 15.7971 -40.1441 -55.12 34.553 15.7972 34.5529 14.6816 GPRESSAVG: 4800800 79.032 -37.3102 17.8594 -40.2925 -54.1957 34.1483 13.1371 34.9647 13.9103 TIMING: 4800800 CPU: 14990.3, 0.00309614/step Wall: 14990.3, 0.00309614/step, 0.17132 hours remaining, 233.546875 MB of memory in use. ENERGY: 4800800 3965.8224 20456.1274 14452.0959 255.1350 -203356.7931 2699.4504 0.0000 0.0000 52058.4481 -109469.7139 299.1806 -161528.1620 -109114.8940 298.5496 152.7252 168.7303 761620.8718 12.8426 12.9155 PRESSURE: 4801000 -190.59 -219.586 -161.308 -219.585 -56.2186 -78.2577 -161.307 -78.2566 -201.697 GPRESSURE: 4801000 -157.567 -160.279 -97.1998 -265.346 -41.0262 -114.201 -145.11 -44.9374 -163.829 PRESSAVG: 4801000 17.5533 -51.5152 -4.24218 -51.5153 -12.4951 14.9245 -4.24223 14.9245 19.7974 GPRESSAVG: 4801000 16.4931 -52.3167 -2.56536 -52.0804 -13.3193 15.1129 -4.14151 12.9638 21.7283 TIMING: 4801000 CPU: 14990.9, 0.00309312/step Wall: 14990.9, 0.00309312/step, 0.170981 hours remaining, 233.546875 MB of memory in use. ENERGY: 4801000 3962.8428 20415.6455 14399.1080 248.7572 -202891.3828 2393.7579 0.0000 0.0000 51985.7976 -109485.4737 298.7631 -161471.2713 -109120.7467 298.6658 -149.5020 -120.8076 761302.5964 8.2852 8.3007 PRESSURE: 4801200 -200.501 89.9091 -92.8846 89.9087 -86.3989 -0.0841778 -92.8846 -0.0848214 -119.343 GPRESSURE: 4801200 -72.2012 -54.4745 -135.54 121.349 -123.442 -5.426 -119.239 96.2267 -109.795 PRESSAVG: 4801200 79.3365 -48.642 -30.2808 -48.642 -76.088 35.7796 -30.2807 35.7796 3.66245 GPRESSAVG: 4801200 80.5243 -49.2909 -33.0719 -47.107 -76.8477 34.8745 -28.17 38.5763 3.21346 TIMING: 4801200 CPU: 14991.5, 0.00308774/step Wall: 14991.5, 0.00308774/step, 0.170512 hours remaining, 233.535156 MB of memory in use. ENERGY: 4801200 3932.1429 20415.7163 14462.9711 224.8127 -202572.2524 2222.8117 0.0000 0.0000 51765.2224 -109548.5753 297.4954 -161313.7977 -109185.0920 298.8541 -135.4144 -101.8126 761039.7296 2.3037 2.2967 PRESSURE: 4801400 -177.217 -66.0411 -197.913 -66.0411 -38.0865 -107.48 -197.913 -107.48 58.8155 GPRESSURE: 4801400 -169.361 121.413 -154.743 -89.9321 -8.92841 -62.6641 -238.875 -108.373 117.613 PRESSAVG: 4801400 21.8914 -3.77989 -10.2762 -3.77987 -30.6788 -23.2211 -10.2762 -23.2212 0.0331756 GPRESSAVG: 4801400 21.8298 -3.07353 -10.1734 -2.38271 -28.951 -22.8965 -12.4408 -22.4382 -1.23464 TIMING: 4801400 CPU: 14992.1, 0.00308644/step Wall: 14992.1, 0.00308644/step, 0.170269 hours remaining, 233.546875 MB of memory in use. ENERGY: 4801400 3949.4935 20521.4957 14470.2861 241.3985 -203144.5228 2656.3398 0.0000 0.0000 52010.4821 -109295.0270 298.9050 -161305.5091 -108926.0848 298.4048 -52.1627 -20.2256 762210.4335 -2.9181 -2.7853 PRESSURE: 4801600 -91.8329 -7.93045 25.5981 -7.93111 -19.5856 91.818 25.597 91.8179 353.746 GPRESSURE: 4801600 -53.2047 14.4537 -49.6132 105.556 26.2884 177.147 83.6667 127.307 339.753 PRESSAVG: 4801600 19.7998 23.1766 -6.12459 23.1766 -5.9147 -45.0847 -6.12458 -45.0847 -0.476454 GPRESSAVG: 4801600 19.4672 22.5645 -4.61812 21.7892 -5.94342 -46.0676 -5.84575 -46.6112 -0.323667 TIMING: 4801600 CPU: 14992.8, 0.00309225/step Wall: 14992.8, 0.00309225/step, 0.170418 hours remaining, 233.546875 MB of memory in use. ENERGY: 4801600 3961.1589 20566.0550 14471.4297 275.1303 -203025.0574 2368.5192 0.0000 0.0000 52042.8691 -109339.8952 299.0911 -161382.7643 -108976.6315 298.9868 80.7759 104.2790 763552.6811 4.4696 4.4001 PRESSURE: 4801800 213.134 43.6689 92.9919 43.668 -146 -43.7501 92.9925 -43.7501 41.9303 GPRESSURE: 4801800 231.689 -29.0593 42.5496 35.3702 -133.659 -101.743 74.9714 -147.402 78.9585 PRESSAVG: 4801800 57.699 12.073 -15.279 12.0729 -67.1016 -46.9569 -15.279 -46.9568 -4.50505 GPRESSAVG: 4801800 57.5383 12.5188 -16.5717 12.6343 -66.624 -46.1319 -15.9798 -48.8589 -4.5496 TIMING: 4801800 CPU: 14993.4, 0.00308786/step Wall: 14993.4, 0.00308786/step, 0.170004 hours remaining, 233.546875 MB of memory in use. ENERGY: 4801800 3964.1388 20604.0818 14474.2755 260.0759 -203449.0136 2861.4492 0.0000 0.0000 51954.1905 -109330.8019 298.5814 -161284.9924 -108971.7835 299.0671 36.3546 58.9961 762033.1869 -4.6359 -4.5451 PRESSURE: 4802000 8.21504 -130.333 79.0166 -130.333 149.845 -160.595 79.0175 -160.594 -262.782 GPRESSURE: 4802000 155.436 -187.628 27.1471 -80.9347 -2.28231 -123.083 209.115 -112.128 -185.172 PRESSAVG: 4802000 61.6133 -1.73519 -18.6259 -1.73513 -26.8577 -6.42717 -18.626 -6.42719 -10.3113 GPRESSAVG: 4802000 62.9368 -0.0360328 -18.0326 -2.4904 -28.2597 -5.59971 -16.3695 -4.65312 -9.91251 TIMING: 4802000 CPU: 14994, 0.0030938/step Wall: 14994, 0.0030938/step, 0.170159 hours remaining, 233.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4802000 4003.5142 20580.3216 14437.3651 247.2554 -202824.4602 2419.7341 0.0000 0.0000 51988.2289 -109148.0408 298.7771 -161136.2697 -108781.2623 298.9475 -34.9073 -10.6729 762258.1259 8.1481 8.2549 PRESSURE: 4802200 -47.8897 54.4429 -91.2054 54.443 -396.039 237.688 -91.2044 237.69 -374.374 GPRESSURE: 4802200 89.5089 41.3233 -99.6497 18.4172 -393.731 256.31 -81.1234 247.697 -412.449 PRESSAVG: 4802200 62.042 -60.4971 23.1426 -60.4971 -18.7266 -25.555 23.1427 -25.5549 -6.06181 GPRESSAVG: 4802200 62.5115 -63.983 24.2758 -58.6606 -17.834 -25.8594 21.8551 -24.3034 -7.23215 TIMING: 4802200 CPU: 14994.6, 0.003109/step Wall: 14994.6, 0.003109/step, 0.170822 hours remaining, 233.546875 MB of memory in use. ENERGY: 4802200 4074.7992 20429.9012 14474.4030 239.8998 -203106.8737 2643.9505 0.0000 0.0000 51950.0159 -109293.9041 298.5575 -161243.9200 -108929.9322 299.1588 -272.7676 -238.8904 763524.2534 12.4179 12.4818 PRESSURE: 4802400 105.099 -177.09 136.493 -177.09 -421.265 -88.3272 136.494 -88.3264 -248.519 GPRESSURE: 4802400 31.3333 -227.403 214.542 -133.42 -257.426 -74.7423 180.117 -24.8135 -253.057 PRESSAVG: 4802400 32.4056 -46.7211 16.7009 -46.7211 -74.5805 45.3241 16.7009 45.324 -21.0417 GPRESSAVG: 4802400 31.9281 -43.4854 15.1797 -47.3904 -75.5235 45.0325 15.0614 43.2038 -19.7311 TIMING: 4802400 CPU: 14995.2, 0.00309338/step Wall: 14995.2, 0.00309338/step, 0.169792 hours remaining, 233.546875 MB of memory in use. ENERGY: 4802400 4027.2730 20573.9005 14474.6530 243.0971 -203166.9900 2352.3756 0.0000 0.0000 51842.8504 -109652.8405 297.9416 -161495.6909 -109288.9450 298.7754 -188.2284 -159.7164 761865.6185 -21.0722 -21.1089 PRESSURE: 4802600 142.959 163.336 -193.058 163.336 309.195 164.137 -193.058 164.138 549.74 GPRESSURE: 4802600 213.705 102.452 -67.3267 -50.4007 293.364 118.473 -120.504 52.7928 559.061 PRESSAVG: 4802600 -3.04665 -83.9068 13.499 -83.9068 6.2399 0.130608 13.4991 0.130509 0.0226196 GPRESSAVG: 4802600 -3.60948 -87.3604 13.0637 -84.4268 7.50983 0.772925 15.3758 2.33674 -0.205684 TIMING: 4802600 CPU: 14995.9, 0.00308668/step Wall: 14995.9, 0.00308668/step, 0.169253 hours remaining, 233.535156 MB of memory in use. ENERGY: 4802600 3863.0788 20503.8911 14489.8643 243.4558 -203491.6992 2855.6436 0.0000 0.0000 51802.3675 -109733.3981 297.7089 -161535.7655 -109380.2677 298.1090 333.9645 355.3766 762039.6162 1.0720 1.2316 PRESSURE: 4802800 45.9411 -56.3791 -179.644 -56.3778 70.8501 -103.84 -179.644 -103.84 -59.4334 GPRESSURE: 4802800 19.6055 -14.0546 -184.685 -150.779 172.108 -98.2233 -175.489 -85.0525 -50.6936 PRESSAVG: 4802800 -8.04594 -2.83502 7.95428 -2.83505 54.1309 19.1327 7.95419 19.1326 27.1951 GPRESSAVG: 4802800 -8.96999 0.59809 9.32433 -3.34229 53.4061 18.4922 8.03726 17.8148 28.8672 TIMING: 4802800 CPU: 14996.5, 0.00308495/step Wall: 14996.5, 0.00308495/step, 0.168987 hours remaining, 233.546875 MB of memory in use. ENERGY: 4802800 3969.9699 20349.7353 14506.2501 256.1737 -203560.5109 2871.7810 0.0000 0.0000 51897.9886 -109708.6124 298.2585 -161606.6010 -109349.3886 298.2859 19.1193 47.0067 761575.1487 24.4267 24.4344 PRESSURE: 4803000 -109.493 -10.1477 35.858 -10.1471 231.504 72.1471 35.8587 72.1458 40.7141 GPRESSURE: 4803000 16.0859 26.7624 2.56601 24.3508 223.898 145.636 95.3859 18.1427 -5.02916 PRESSAVG: 4803000 -20.1694 -45.9791 38.1789 -45.9791 23.2458 -4.6669 38.1787 -4.66684 0.0137117 GPRESSAVG: 4803000 -17.8868 -48.4444 37.5871 -45.9997 22.0148 -3.71468 38.8295 -3.93506 -1.30821 TIMING: 4803000 CPU: 14997.1, 0.003104/step Wall: 14997.1, 0.003104/step, 0.169858 hours remaining, 233.546875 MB of memory in use. ENERGY: 4803000 3964.9886 20346.8295 14482.9274 234.3503 -203724.4572 2983.9122 0.0000 0.0000 52003.2993 -109708.1499 298.8637 -161711.4492 -109351.8947 298.0238 54.2415 78.3183 761976.7020 1.0300 0.9399 PRESSURE: 4803200 42.1638 -81.0103 -100.633 -81.0111 -101.226 -96.9886 -100.633 -96.9875 -293.826 GPRESSURE: 4803200 101.818 -69.4315 -177.075 -81.7396 -115.797 -21.072 -44.7875 -73.4502 -272.521 PRESSAVG: 4803200 7.01497 9.24699 -16.9038 9.24699 -12.2789 21.2269 -16.9038 21.2269 -2.70385 GPRESSAVG: 4803200 5.271 11.9898 -17.814 9.15609 -9.7952 21.8742 -17.5779 21.7761 -3.76111 TIMING: 4803200 CPU: 14997.7, 0.00309721/step Wall: 14997.7, 0.00309721/step, 0.169314 hours remaining, 233.546875 MB of memory in use. ENERGY: 4803200 3925.9895 20552.0713 14523.9660 253.0148 -203554.6835 2660.3421 0.0000 0.0000 52202.5701 -109436.7297 300.0089 -161639.2998 -109066.8145 298.2104 -117.6297 -95.5002 763239.8840 -2.6559 -2.7618 PRESSURE: 4803400 -420.293 -49.2696 -91.9975 -49.2701 179.297 69.0689 -91.997 69.0674 187.594 GPRESSURE: 4803400 -299.21 -16.3872 -135.575 -72.4613 128.047 77.1764 26.9164 55.1967 188.54 PRESSAVG: 4803400 -11.735 -49.3462 39.6978 -49.3463 18.516 -84.7884 39.6979 -84.7884 -16.3125 GPRESSAVG: 4803400 -11.3089 -50.289 40.5997 -49.5378 17.4184 -87.4082 40.5856 -84.9555 -15.5245 TIMING: 4803400 CPU: 14998.3, 0.00310672/step Wall: 14998.3, 0.00310673/step, 0.169662 hours remaining, 233.546875 MB of memory in use. ENERGY: 4803400 4011.4448 20412.1300 14491.1304 232.9080 -203465.0562 2872.9034 0.0000 0.0000 52017.5636 -109426.9760 298.9457 -161444.5396 -109070.7979 298.8209 -17.8006 5.7923 762524.2341 -3.1772 -3.1383 PRESSURE: 4803600 -168.601 -88.9243 -112.36 -88.9247 -141.043 156.717 -112.36 156.717 -205.235 GPRESSURE: 4803600 -46.2936 -67.7599 -98.3932 -5.07081 -181.372 119.491 -171.553 213.777 -204.189 PRESSAVG: 4803600 14.5939 -1.15464 36.6084 -1.15464 -14.6915 -15.1604 36.6083 -15.1605 8.23157 GPRESSAVG: 4803600 14.3994 -1.51729 35.7705 0.12659 -15.5468 -14.6198 35.2076 -17.0668 8.73644 TIMING: 4803600 CPU: 14999, 0.00310627/step Wall: 14999, 0.00310627/step, 0.169465 hours remaining, 233.535156 MB of memory in use. ENERGY: 4803600 4071.5673 20562.6092 14469.0230 243.2910 -203388.4331 2768.1654 0.0000 0.0000 51788.0869 -109485.6902 297.6268 -161273.7772 -109131.5521 298.4028 -171.6264 -143.9514 763688.3132 2.7113 2.5297 PRESSURE: 4803800 24.8399 49.1596 -280.64 49.1588 208.659 -160.367 -280.64 -160.369 -210.052 GPRESSURE: 4803800 31.9583 53.854 -265.734 -75.9258 247.371 -159.205 -149.581 22.2249 -151.585 PRESSAVG: 4803800 11.3664 -15.23 6.69735 -15.23 19.8806 -33.0717 6.69733 -33.0716 -17.656 GPRESSAVG: 4803800 10.699 -15.0196 7.10837 -17.9739 21.1558 -32.537 6.72511 -32.0067 -18.1686 TIMING: 4803800 CPU: 14999.6, 0.00311282/step Wall: 14999.6, 0.00311282/step, 0.169649 hours remaining, 233.535156 MB of memory in use. ENERGY: 4803800 3998.4409 20485.5250 14447.3125 236.7878 -203430.8159 2783.6282 0.0000 0.0000 51910.2049 -109568.9167 298.3287 -161479.1216 -109207.3837 298.7070 7.8158 42.5813 762869.5252 4.5303 4.5620 PRESSURE: 4804000 57.4841 -83.5164 236.736 -83.5163 -117.849 -273.203 236.737 -273.202 307.397 GPRESSURE: 4804000 103.734 -123.796 158.999 -46.3537 -28.8944 -370.509 276.241 -161.786 267.129 PRESSAVG: 4804000 -2.39768 -40.8982 10.8674 -40.8983 -22.6969 -18.6838 10.8675 -18.6837 -23.2096 GPRESSAVG: 4804000 -1.18788 -39.8682 9.66335 -39.1445 -24.1455 -19.8364 14.2467 -18.4931 -22.94 TIMING: 4804000 CPU: 15000.2, 0.00309245/step Wall: 15000.2, 0.00309245/step, 0.168367 hours remaining, 233.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4804000 4021.1269 20473.1789 14498.7726 217.6928 -203496.9018 2828.3933 0.0000 0.0000 51835.4501 -109622.2872 297.8990 -161457.7373 -109264.6435 298.0113 82.3439 113.9895 764525.5508 -16.1014 -16.0911 PRESSURE: 4804200 -101.472 -111.173 180.136 -111.173 -361.593 19.8995 180.136 19.9004 -279.225 GPRESSURE: 4804200 -179.935 -72.8095 264.854 -220.704 -231.07 34.9909 137.569 94.4273 -260.043 PRESSAVG: 4804200 -35.0509 1.90138 40.3618 1.90146 46.7893 11.4797 40.3618 11.4797 -16.981 GPRESSAVG: 4804200 -35.7775 0.62976 42.1462 1.95177 48.0891 11.8347 36.1761 10.4351 -17.5592 TIMING: 4804200 CPU: 15000.8, 0.00308575/step Wall: 15000.8, 0.00308575/step, 0.16783 hours remaining, 233.535156 MB of memory in use. ENERGY: 4804200 4010.6915 20499.6847 14489.2873 259.9682 -203166.2372 2583.0742 0.0000 0.0000 52017.2746 -109306.2567 298.9440 -161323.5313 -108947.0783 298.3825 -247.4300 -223.6829 764213.6619 -1.7475 -1.7492 LDB: ============= START OF LOAD BALANCING ============== 15013.3 LDB: ============== END OF LOAD BALANCING =============== 15013.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15013.3 LDB: ============= START OF LOAD BALANCING ============== 15013.6 LDB: Largest compute 7028 load 0.033709 is 17.3% of average load 0.195235 LDB: Average compute 0.004398 is 2.3% of average load 0.195235 LDB: TIME 15013.6 LOAD: AVG 0.195235 MAX 0.215905 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.797 MB LDB: TIME 15013.6 LOAD: AVG 0.195235 MAX 0.215905 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.797 MB LDB: TIME 15013.6 LOAD: AVG 0.195235 MAX 0.215905 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.797 MB LDB: ============== END OF LOAD BALANCING =============== 15013.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15013.6 PRESSURE: 4804400 -351.516 -74.5205 110.427 -74.5202 -104.688 1.73328 110.428 1.73225 -70.0541 GPRESSURE: 4804400 -243.79 28.686 87.5223 -5.8564 -105.547 -66.8071 204.794 86.7118 -99.9487 PRESSAVG: 4804400 -55.5053 47.3015 59.0802 47.3015 26.1531 -2.32691 59.0802 -2.32693 24.8363 GPRESSAVG: 4804400 -54.9642 47.7016 60.7417 47.6392 25.5748 -1.96232 60.2309 -1.96437 24.8759 TIMING: 4804400 CPU: 15001.4, 0.00315684/step Wall: 15001.4, 0.00315684/step, 0.171521 hours remaining, 233.082031 MB of memory in use. ENERGY: 4804400 4049.7648 20477.8923 14509.7925 221.2251 -203179.7163 2729.8482 0.0000 0.0000 51961.1428 -109230.0505 298.6214 -161191.1933 -108872.3119 298.9680 -175.4194 -149.7618 763296.9347 -1.5053 -1.5045 PRESSURE: 4804600 -141.119 -26.82 35.9306 -26.8212 38.0409 205.422 35.9291 205.423 -100.696 GPRESSURE: 4804600 -96.5373 -8.83182 -10.7016 -9.87986 42.8433 151.329 51.7025 218.183 -61.183 PRESSAVG: 4804600 -42.6514 41.3028 16.3477 41.3029 7.32736 49.4218 16.3477 49.4217 27.8761 GPRESSAVG: 4804600 -42.4092 41.5399 15.5243 39.9045 6.81151 50.0649 14.9926 49.9727 27.7489 TIMING: 4804600 CPU: 15002.1, 0.00311351/step Wall: 15002.1, 0.00311351/step, 0.168994 hours remaining, 233.093750 MB of memory in use. ENERGY: 4804600 3967.0989 20541.1926 14502.8883 241.0200 -203315.0242 2657.5182 0.0000 0.0000 52064.7520 -109340.5542 299.2168 -161405.3062 -108986.5796 299.5976 -67.9245 -38.2924 762372.9397 -2.4827 -2.6162 PRESSURE: 4804800 125.442 -195.966 -174.08 -195.966 375.415 73.43 -174.08 73.429 127.762 GPRESSURE: 4804800 232.814 -223.467 -281.997 -152.187 362.902 184.487 -180.229 30.9731 119.033 PRESSAVG: 4804800 12.489 23.287 14.6559 23.287 21.7211 16.9889 14.6559 16.9889 7.49942 GPRESSAVG: 4804800 13.1119 23.2128 14.167 24.4847 21.6226 16.7709 12.373 14.7414 7.43728 TIMING: 4804800 CPU: 15002.7, 0.00309859/step Wall: 15002.7, 0.00309859/step, 0.168013 hours remaining, 233.093750 MB of memory in use. ENERGY: 4804800 4022.0133 20459.5186 14531.6521 243.6175 -203437.6281 2816.2991 0.0000 0.0000 52046.2565 -109318.2709 299.1106 -161364.5274 -108955.9880 299.1532 209.5399 238.2496 761983.5411 13.9032 14.0573 PRESSURE: 4805000 -84.9514 -163.305 66.7371 -163.305 -222.318 -353.058 66.7374 -353.058 28.852 GPRESSURE: 4805000 -105.618 -226.542 32.5814 -93.0483 -181.004 -369.222 -76.4902 -189.492 96.1079 PRESSAVG: 4805000 2.77653 19.3264 45.5811 19.3263 -55.3301 18.8226 45.5812 18.8226 -11.0917 GPRESSAVG: 4805000 1.06015 19.4066 44.0011 18.4287 -53.0542 18.7921 48.5131 20.891 -11.8537 TIMING: 4805000 CPU: 15003.3, 0.00308522/step Wall: 15003.3, 0.00308522/step, 0.167116 hours remaining, 233.093750 MB of memory in use. ENERGY: 4805000 4064.9593 20547.6134 14496.9912 247.3626 -203340.8019 2632.1917 0.0000 0.0000 52042.5751 -109309.1086 299.0894 -161351.6837 -108951.1362 299.6679 -92.8059 -63.5048 761972.3930 -21.2151 -21.2826 PRESSURE: 4805200 23.3793 -69.1343 -200.753 -69.1339 84.1203 21.7082 -200.753 21.7082 -267.346 GPRESSURE: 4805200 41.8863 -11.9771 -66.6179 -19.4741 65.3763 -25.031 -194.775 -47.2445 -197.62 PRESSAVG: 4805200 14.3532 -16.7353 1.20268 -16.7353 20.5167 4.07567 1.20273 4.07573 -13.0409 GPRESSAVG: 4805200 15.3376 -15.1411 3.99171 -15.7476 18.1304 2.32174 2.67046 2.94607 -11.7772 TIMING: 4805200 CPU: 15003.9, 0.00308348/step Wall: 15003.9, 0.00308348/step, 0.166851 hours remaining, 233.082031 MB of memory in use. ENERGY: 4805200 4013.9256 20418.1296 14481.6860 261.5043 -203423.3468 2838.6349 0.0000 0.0000 52108.9285 -109300.5378 299.4707 -161409.4663 -108934.3047 299.1612 -53.2820 -30.1191 762181.2081 7.2763 7.2302 PRESSURE: 4805400 181.614 203.952 -28.9306 203.953 196.877 -165.934 -28.9302 -165.934 206.688 GPRESSURE: 4805400 94.2992 148.796 41.8329 62.9668 346.487 -72.3829 -138.016 -203.421 233.788 PRESSAVG: 4805400 35.7835 -23.3523 13.8403 -23.3524 -6.25911 23.4712 13.8403 23.4712 -3.3176 GPRESSAVG: 4805400 35.1102 -26.1125 12.2145 -23.716 -5.04194 25.0139 12.3535 23.3141 -4.14458 TIMING: 4805400 CPU: 15004.5, 0.00307585/step Wall: 15004.5, 0.00307585/step, 0.166267 hours remaining, 233.082031 MB of memory in use. ENERGY: 4805400 4021.3268 20395.7905 14483.9301 243.1169 -203292.4478 2660.5539 0.0000 0.0000 52143.2268 -109344.5029 299.6678 -161487.7298 -108977.8064 299.3217 195.0597 224.8581 760784.4474 8.7356 8.6412 PRESSURE: 4805600 -147.879 84.6137 6.50638 84.6135 93.2262 205.637 6.50697 205.636 -24.1011 GPRESSURE: 4805600 -156.533 96.6163 120.883 100.29 121.296 211.384 -48.4672 140.738 39.8379 PRESSAVG: 4805600 -25.3678 23.7269 28.7689 23.7268 64.3936 64.1937 28.7689 64.1936 14.7988 GPRESSAVG: 4805600 -26.6375 24.7856 29.769 22.7316 64.5905 64.8406 28.0415 63.4787 15.88 TIMING: 4805600 CPU: 15005.2, 0.0030917/step Wall: 15005.2, 0.0030917/step, 0.166952 hours remaining, 233.082031 MB of memory in use. ENERGY: 4805600 3983.2868 20554.1618 14451.6098 244.8961 -203088.0925 2434.8632 0.0000 0.0000 51911.8349 -109507.4398 298.3380 -161419.2748 -109146.6630 298.9412 -26.2514 1.5337 762257.8513 17.9415 17.9443 PRESSURE: 4805800 334.361 134.34 -162.584 134.339 4.15217 198.36 -162.583 198.359 -32.016 GPRESSURE: 4805800 372.949 199.277 -232.198 226.869 89.122 174.219 -29.3398 225.833 -61.9657 PRESSAVG: 4805800 6.40142 20.5697 39.2914 20.5698 3.83559 31.6405 39.2914 31.6405 10.4928 GPRESSAVG: 4805800 7.58971 20.9083 39.3261 22.9419 3.38466 31.9529 39.5024 33.2762 10.013 TIMING: 4805800 CPU: 15005.8, 0.00307964/step Wall: 15005.8, 0.00307964/step, 0.166129 hours remaining, 233.082031 MB of memory in use. ENERGY: 4805800 3924.0563 20398.5709 14523.3429 252.7208 -203680.1822 2958.7062 0.0000 0.0000 52086.5585 -109536.2265 299.3422 -161622.7851 -109175.0779 298.8269 102.1657 133.3683 762430.7836 6.9099 6.9958 PRESSURE: 4806000 143.589 236.439 60.6505 236.439 251.049 32.1205 60.6487 32.12 -321.047 GPRESSURE: 4806000 244.782 199.589 149.375 180.176 205.442 88.5031 96.13 72.8765 -300.994 PRESSAVG: 4806000 89.8101 33.0792 34.0994 33.0791 -49.4084 52.0843 34.0994 52.0843 12.5469 GPRESSAVG: 4806000 89.916 32.6797 33.0353 31.1418 -50.7596 50.6468 34.1835 52.6991 13.3747 TIMING: 4806000 CPU: 15006.4, 0.00308621/step Wall: 15006.4, 0.00308621/step, 0.166312 hours remaining, 233.093750 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: 4806000 3982.9274 20464.2803 14476.1896 222.0370 -203741.6082 3188.5976 0.0000 0.0000 51913.9549 -109493.6213 298.3502 -161407.5762 -109139.0394 298.7105 24.5303 49.7434 764185.7857 17.6495 17.5104 PRESSURE: 4806200 -352.065 -144.597 -138.582 -144.596 -480.417 -92.5365 -138.582 -92.5372 215.706 GPRESSURE: 4806200 -270.248 -121.93 -136.648 -112.732 -391.853 -143.245 -25.2955 -20.4624 118.924 PRESSAVG: 4806200 7.55918 -10.6837 8.25013 -10.6837 -25.8509 23.1777 8.25013 23.1777 -11.1491 GPRESSAVG: 4806200 7.65181 -10.0517 7.62613 -10.7022 -24.9065 23.5944 9.26813 20.9543 -11.472 TIMING: 4806200 CPU: 15007, 0.00309077/step Wall: 15007, 0.00309077/step, 0.166387 hours remaining, 233.093750 MB of memory in use. ENERGY: 4806200 4046.8227 20540.0501 14499.7700 238.7028 -203537.9348 2679.2442 0.0000 0.0000 51965.9459 -109567.3990 298.6490 -161533.3449 -109201.0103 298.5478 -205.5920 -181.0591 761645.6010 -9.8136 -9.5756 PRESSURE: 4806400 282.569 -30.9412 -30.0889 -30.9416 20.5947 35.0314 -30.0892 35.033 -51.8568 GPRESSURE: 4806400 244.587 -122.379 -5.33489 -101.808 84.8906 56.0827 -53.0893 154.251 -12.3459 PRESSAVG: 4806400 -7.55593 -25.2291 -11.7752 -25.2291 46.5779 -37.6796 -11.7752 -37.6796 -3.36104 GPRESSAVG: 4806400 -7.48129 -23.8511 -12.039 -26.1005 47.3035 -37.5139 -12.459 -33.8156 -4.03033 TIMING: 4806400 CPU: 15007.6, 0.0030852/step Wall: 15007.6, 0.0030852/step, 0.165915 hours remaining, 233.093750 MB of memory in use. ENERGY: 4806400 4061.9413 20562.2916 14424.1280 241.5103 -203905.3585 2911.8510 0.0000 0.0000 52022.8602 -109680.7761 298.9761 -161703.6364 -109317.6774 298.9510 83.7690 105.7106 761309.2740 11.8870 11.9306 PRESSURE: 4806600 140.391 -146.138 377.007 -146.138 -96.5276 -129.79 377.007 -129.79 -53.2125 GPRESSURE: 4806600 171 -119.256 359.02 -114.659 -74.3721 -32.0854 412.385 -206.151 -31.112 PRESSAVG: 4806600 1.26005 -40.9264 20.1908 -40.9264 7.96449 -6.04643 20.1909 -6.04635 1.1595 GPRESSAVG: 4806600 0.989102 -43.0171 21.2635 -39.5115 8.13958 -6.93018 21.1575 -9.67066 1.3362 TIMING: 4806600 CPU: 15008.2, 0.00308363/step Wall: 15008.2, 0.00308363/step, 0.16566 hours remaining, 233.093750 MB of memory in use. ENERGY: 4806600 3978.8448 20577.7572 14443.3154 230.7383 -203726.1314 2779.3395 0.0000 0.0000 51703.5886 -110012.5475 297.1412 -161716.1361 -109658.3611 298.0003 -3.1163 21.8385 762168.7305 3.4613 3.4883 PRESSURE: 4806800 407.369 -73.7694 -114.232 -73.7692 57.7667 -162.275 -114.231 -162.274 -259.307 GPRESSURE: 4806800 330.425 -26.8905 -78.7824 -47.605 208.865 -77.9914 -71.7164 -44.903 -264.472 PRESSAVG: 4806800 -2.82378 -0.319453 1.25817 -0.319443 5.41454 -43.5855 1.25819 -43.5854 -16.142 GPRESSAVG: 4806800 -3.96163 1.8655 1.04122 0.220293 5.85547 -42.8784 0.903767 -41.6357 -15.798 TIMING: 4806800 CPU: 15008.9, 0.00310455/step Wall: 15008.9, 0.00310455/step, 0.166611 hours remaining, 233.093750 MB of memory in use. ENERGY: 4806800 4031.9815 20352.9269 14374.6543 241.4834 -203576.7685 2810.6044 0.0000 0.0000 51778.2111 -109986.9068 297.5701 -161765.1179 -109629.9412 297.7023 68.6098 91.6060 762229.3937 -4.5171 -4.6347 PRESSURE: 4807000 -133.45 37.4239 -52.1191 37.4235 -36.3771 98.2561 -52.119 98.2556 -209.549 GPRESSURE: 4807000 -131.205 -29.5221 -79.7156 -56.3006 37.2038 43.9167 -50.4396 37.2086 -202.855 PRESSAVG: 4807000 3.47987 -41.6336 31.3187 -41.6335 -34.5924 18.4172 31.3187 18.4173 -0.860022 GPRESSAVG: 4807000 3.5714 -42.1599 31.4303 -42.397 -34.3879 18.3181 32.6139 16.5302 -1.19652 TIMING: 4807000 CPU: 15009.5, 0.0030829/step Wall: 15009.5, 0.0030829/step, 0.165278 hours remaining, 233.093750 MB of memory in use. ENERGY: 4807000 3997.3816 20378.8158 14458.3978 245.2417 -203233.6460 2577.6237 0.0000 0.0000 51808.5662 -109767.6192 297.7445 -161576.1854 -109402.9525 297.9495 -126.4588 -98.9522 761257.4222 -10.6575 -10.6710 PRESSURE: 4807200 -358.001 -7.41962 47.0231 -7.41941 -235.645 20.8268 47.0241 20.8271 -252.909 GPRESSURE: 4807200 -324.042 -12.1806 124.343 -90.5555 -255.835 -36.9385 130.113 70.97 -170.183 PRESSAVG: 4807200 -5.88659 -26.8883 32.2788 -26.8884 58.393 -19.0644 32.2789 -19.0645 8.04772 GPRESSAVG: 4807200 -4.84165 -25.4338 31.9736 -27.8372 55.866 -17.5964 33.4549 -18.4613 9.82734 TIMING: 4807200 CPU: 15010.1, 0.00310149/step Wall: 15010.1, 0.00310149/step, 0.166102 hours remaining, 233.082031 MB of memory in use. ENERGY: 4807200 4042.3692 20319.6881 14402.4966 240.6076 -203264.6104 2581.8416 0.0000 0.0000 51882.1843 -109795.4229 298.1676 -161677.6072 -109428.3666 298.4038 -282.1849 -250.0199 762004.7018 20.1847 20.2839 PRESSURE: 4807400 50.3532 316.291 -223.575 316.292 129.237 53.4189 -223.576 53.4194 -108.587 GPRESSURE: 4807400 37.631 221.656 -115.694 230.263 278.818 27.0968 -292.792 25.3425 -152.271 PRESSAVG: 4807400 -4.42493 -18.1343 -27.6803 -18.1342 11.6306 26.6921 -27.6803 26.692 -16.0571 GPRESSAVG: 4807400 -4.09629 -19.0213 -27.5831 -19.4482 13.0877 26.9592 -30.0001 25.0397 -17.9807 TIMING: 4807400 CPU: 15010.7, 0.00309333/step Wall: 15010.7, 0.00309333/step, 0.165493 hours remaining, 233.082031 MB of memory in use. ENERGY: 4807400 4063.0819 20402.6388 14452.5039 264.6366 -203701.8441 2900.8145 0.0000 0.0000 51996.9530 -109621.2154 298.8272 -161618.1685 -109264.9953 298.6067 23.6678 54.7260 763106.1862 -2.9505 -2.9964 PRESSURE: 4807600 280.973 -204.489 -31.1087 -204.488 43.2442 28.3058 -31.1083 28.3066 652.437 GPRESSURE: 4807600 338.685 -220.802 -107.836 -114.035 3.83666 26.0108 52.7637 -36.3837 707.831 PRESSAVG: 4807600 3.00782 -52.615 -41.4388 -52.6149 51.7874 -2.05551 -41.4387 -2.05556 -8.26271 GPRESSAVG: 4807600 1.95452 -53.7782 -42.6493 -50.2065 50.9295 -2.52458 -40.2338 -0.0942811 -6.83856 TIMING: 4807600 CPU: 15011.3, 0.00309031/step Wall: 15011.3, 0.00309031/step, 0.16516 hours remaining, 233.082031 MB of memory in use. ENERGY: 4807600 3881.6490 20505.1894 14498.4903 231.2398 -203770.7690 3135.3481 0.0000 0.0000 51798.6491 -109720.2034 297.6875 -161518.8525 -109363.4239 298.0846 325.5514 350.1176 761485.3516 15.5109 15.3485 PRESSURE: 4807800 -137.352 156.83 12.0681 156.831 -220.812 -35.1206 12.0678 -35.12 -148.815 GPRESSURE: 4807800 -124.036 272.822 -63.0419 210.413 -97.8539 -28.3585 -12.4773 92.7401 -201.69 PRESSAVG: 4807800 -28.8521 -28.1925 -40.047 -28.1925 64.0954 14.8025 -40.047 14.8025 -12.1872 GPRESSAVG: 4807800 -28.3247 -28.3582 -40.1512 -26.4738 64.0966 15.4143 -38.6115 13.2059 -13.2998 TIMING: 4807800 CPU: 15011.9, 0.00309011/step Wall: 15011.9, 0.00309011/step, 0.164977 hours remaining, 233.082031 MB of memory in use. ENERGY: 4807800 3955.0323 20503.9449 14486.8746 246.4829 -203394.1448 2542.2551 0.0000 0.0000 51682.6426 -109976.9125 297.0209 -161659.5551 -109607.1165 297.5701 -168.9929 -141.1934 762370.8470 7.6853 7.4907 PRESSURE: 4808000 -173.542 41.7911 100.588 41.7907 -206.868 -141.219 100.588 -141.22 19.6778 GPRESSURE: 4808000 -64.7744 163.459 71.9981 -0.353307 -272.635 -138.315 22.8664 -194.502 77.1428 PRESSAVG: 4808000 -28.1064 -33.9406 -28.314 -33.9406 -39.2137 -40.9141 -28.314 -40.9142 -7.50704 GPRESSAVG: 4808000 -28.5124 -33.2851 -26.9193 -36.2266 -39.635 -42.0715 -30.9887 -38.6354 -6.98768 TIMING: 4808000 CPU: 15012.6, 0.00309554/step Wall: 15012.6, 0.00309554/step, 0.165095 hours remaining, 233.082031 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: 4808000 3917.7579 20562.6239 14418.6446 240.1468 -203550.8937 2904.2160 0.0000 0.0000 51704.7761 -109802.7284 297.1481 -161507.5045 -109445.7953 297.9686 -120.2440 -86.7556 761878.1685 -24.9424 -25.0450 PRESSURE: 4808200 65.2855 -159.344 -267.629 -159.345 -130.355 88.7899 -267.63 88.79 350.608 GPRESSURE: 4808200 137.195 -116.48 -246.056 -140.681 -136.519 -2.46856 -283.799 -66.7161 366.737 PRESSAVG: 4808200 75.0193 -75.7154 38.3685 -75.7155 -63.9032 -18.3879 38.3685 -18.3879 14.8998 GPRESSAVG: 4808200 75.7225 -74.4922 38.1292 -76.8048 -63.0089 -18.6949 39.6228 -18.6063 13.8284 TIMING: 4808200 CPU: 15013.2, 0.00308814/step Wall: 15013.2, 0.00308814/step, 0.164529 hours remaining, 233.082031 MB of memory in use. ENERGY: 4808200 3839.8293 20413.6312 14480.3623 264.5906 -203503.7851 2823.8631 0.0000 0.0000 51997.1049 -109684.4036 298.8281 -161681.5086 -109310.1621 298.6104 95.1794 122.4710 764335.4448 8.6720 8.8473 LDB: ============= START OF LOAD BALANCING ============== 15025.7 LDB: ============== END OF LOAD BALANCING =============== 15025.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15025.7 LDB: ============= START OF LOAD BALANCING ============== 15026 LDB: Largest compute 7037 load 0.030567 is 15.7% of average load 0.195294 LDB: Average compute 0.004389 is 2.2% of average load 0.195294 LDB: TIME 15026 LOAD: AVG 0.195294 MAX 0.216809 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.773 MB LDB: TIME 15026 LOAD: AVG 0.195294 MAX 0.216809 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.832 MB LDB: TIME 15026 LOAD: AVG 0.195294 MAX 0.216809 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.832 MB LDB: ============== END OF LOAD BALANCING =============== 15026 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15026 PRESSURE: 4808400 355.378 115.41 2.73379 115.408 124.597 124.007 2.73357 124.007 41.7335 GPRESSURE: 4808400 281.196 147.836 -31.1529 28.0768 179.66 180.752 149.404 80.5593 133.817 PRESSAVG: 4808400 6.3061 -79.3081 8.56617 -79.3082 -0.914382 5.52697 8.56619 5.52699 -0.242264 GPRESSAVG: 4808400 4.89877 -81.2487 8.22794 -77.5059 -0.647899 5.70108 7.78267 3.67103 0.586365 TIMING: 4808400 CPU: 15013.8, 0.00315565/step Wall: 15013.8, 0.00315565/step, 0.167951 hours remaining, 233.738281 MB of memory in use. ENERGY: 4808400 3980.4538 20569.8053 14458.7071 266.9779 -203785.3250 3131.6679 0.0000 0.0000 51807.6641 -109570.0489 297.7394 -161377.7130 -109224.7508 298.3007 173.9029 198.2243 763432.3062 1.7165 1.6124 PRESSURE: 4808600 -34.2837 0.641496 25.8049 0.640482 536.711 -18.1063 25.8046 -18.1051 79.6374 GPRESSURE: 4808600 43.3381 53.0177 -12.2737 87.623 539.751 14.1674 75.3624 -4.35663 74.3621 PRESSAVG: 4808600 69.8386 -35.2036 73.2191 -35.2036 -27.8643 37.401 73.2192 37.401 -11.708 GPRESSAVG: 4808600 71.405 -34.5717 74.5209 -36.1941 -29.0813 37.6451 73.8988 39.2315 -11.6837 TIMING: 4808600 CPU: 15014.4, 0.00307853/step Wall: 15014.4, 0.00307853/step, 0.163675 hours remaining, 233.738281 MB of memory in use. ENERGY: 4808600 3923.0282 20394.6173 14479.0120 233.3758 -203695.3342 2958.6229 0.0000 0.0000 51954.1571 -109752.5207 298.5813 -161706.6779 -109388.9952 298.3930 194.0217 219.1503 760561.7199 10.0888 10.2133 PRESSURE: 4808800 -64.2122 -22.5666 -192.503 -22.5661 -298.33 -62.241 -192.503 -62.2414 -89.7581 GPRESSURE: 4808800 -97.8846 99.8532 -101.488 17.8658 -173.546 24.9521 -185.235 -146.765 -80.0377 PRESSAVG: 4808800 24.46 -36.8138 -16.3964 -36.8138 1.20722 -34.8655 -16.3964 -34.8655 -0.706378 GPRESSAVG: 4808800 25.6446 -36.1147 -15.8684 -37.9582 0.217472 -33.6668 -16.577 -35.7745 -0.867148 TIMING: 4808800 CPU: 15015.1, 0.00309678/step Wall: 15015.1, 0.00309678/step, 0.164474 hours remaining, 233.738281 MB of memory in use. ENERGY: 4808800 3980.5752 20418.9359 14426.6170 235.8868 -203230.3122 2550.9474 0.0000 0.0000 51847.9407 -109769.4092 297.9708 -161617.3499 -109391.9401 298.4032 -150.7667 -117.1562 764719.8640 8.3203 8.3317 PRESSURE: 4809000 58.4188 -4.69469 -351.545 -4.69447 137.944 134.601 -351.546 134.601 -55.9299 GPRESSURE: 4809000 105.686 68.7947 -324.656 -88.4089 184.213 103.473 -204.145 91.3528 -37.2198 PRESSAVG: 4809000 43.208 13.8577 6.49062 13.8577 -17.1335 34.7149 6.49068 34.7149 0.987833 GPRESSAVG: 4809000 40.3785 15.2545 5.63015 14.3852 -15.1927 35.7039 4.8078 34.8717 1.94274 TIMING: 4809000 CPU: 15015.7, 0.00309892/step Wall: 15015.7, 0.00309892/step, 0.164415 hours remaining, 233.808594 MB of memory in use. ENERGY: 4809000 4043.9826 20364.3451 14422.6424 242.9353 -203454.0735 2851.3345 0.0000 0.0000 51816.4732 -109712.3604 297.7900 -161528.8335 -109357.2127 298.0798 46.8110 84.2266 762894.9137 9.0208 9.0428 PRESSURE: 4809200 -141.051 -202.971 428.686 -202.971 -454.846 -124.015 428.687 -124.015 -298.004 GPRESSURE: 4809200 -92.9023 -112.137 400.832 -203.738 -438.879 -79.2916 196.874 -117.435 -278.219 PRESSAVG: 4809200 -2.60486 -50.4969 -10.2837 -50.4968 4.57427 15.9067 -10.2837 15.9067 -5.68755 GPRESSAVG: 4809200 -1.12142 -50.4646 -12.7266 -50.2749 4.37847 14.3261 -9.94669 15.4086 -7.6993 TIMING: 4809200 CPU: 15016.3, 0.00308347/step Wall: 15016.3, 0.00308347/step, 0.163424 hours remaining, 233.875000 MB of memory in use. ENERGY: 4809200 3986.1797 20472.5657 14458.3986 257.2882 -203217.7242 2487.9844 0.0000 0.0000 52018.0258 -109537.2818 298.9483 -161555.3076 -109189.6341 298.7906 -297.9670 -270.0002 761767.8584 -1.2394 -1.4808 PRESSURE: 4809400 -309.08 43.3882 62.2223 43.3882 -129.069 210.985 62.2217 210.987 -27.3319 GPRESSURE: 4809400 -255.501 -15.8953 45.2202 -5.03456 -53.9926 180.919 109.689 330.34 -75.4034 PRESSAVG: 4809400 2.65616 4.10569 -14.6418 4.10579 10.6346 26.218 -14.6417 26.2179 -2.43716 GPRESSAVG: 4809400 1.38121 2.24741 -13.3679 2.47675 11.9795 25.1347 -13.4003 27.7981 -2.06441 TIMING: 4809400 CPU: 15016.9, 0.00308438/step Wall: 15016.9, 0.00308438/step, 0.163301 hours remaining, 233.875000 MB of memory in use. ENERGY: 4809400 3984.8106 20344.9486 14476.6260 251.1811 -203003.3164 2503.2705 0.0000 0.0000 51899.9333 -109542.5464 298.2696 -161442.4797 -109183.4123 298.4611 -155.1604 -128.2990 762590.9919 3.6179 3.7654 PRESSURE: 4809600 -248.812 91.5267 -181.405 91.5267 -184.876 62.9739 -181.404 62.9744 -217.795 GPRESSURE: 4809600 -73.7721 -17.1177 -200.052 123.094 -156.585 101.773 -102.136 -33.5026 -331.268 PRESSAVG: 4809600 -4.09049 4.97352 10.8752 4.9735 12.6931 -23.7277 10.8751 -23.7278 -18.5121 GPRESSAVG: 4809600 -2.38933 4.02546 10.6001 7.79502 11.1436 -22.4287 11.1846 -24.0032 -18.5609 TIMING: 4809600 CPU: 15017.5, 0.00308931/step Wall: 15017.5, 0.00308931/step, 0.16339 hours remaining, 233.875000 MB of memory in use. ENERGY: 4809600 3994.3946 20429.9568 14453.5055 243.8426 -203273.4503 2636.4279 0.0000 0.0000 52027.9239 -109487.3990 299.0052 -161515.3229 -109125.4393 298.5749 -217.1611 -187.2082 762989.4493 -3.3032 -3.2689 PRESSURE: 4809800 67.9956 -14.6428 -90.9709 -14.6429 35.4629 90.4154 -90.9701 90.4155 -178.891 GPRESSURE: 4809800 78.6812 9.00073 -78.9994 57.9631 37.8012 84.8694 -5.46949 147.219 -117.671 PRESSAVG: 4809800 -52.838 32.4299 -4.04222 32.4299 21.1349 14.0668 -4.04227 14.0668 -1.53044 GPRESSAVG: 4809800 -53.6029 35.2663 -3.13715 30.082 20.8853 11.5197 -5.05986 14.4879 -0.183407 TIMING: 4809800 CPU: 15018.1, 0.00309595/step Wall: 15018.1, 0.00309595/step, 0.163569 hours remaining, 233.875000 MB of memory in use. ENERGY: 4809800 4027.7611 20592.9527 14434.8138 253.8308 -203088.4271 2578.5558 0.0000 0.0000 51817.3505 -109383.1626 297.7950 -161200.5131 -109025.8068 298.7202 -25.1442 -0.3962 763195.2937 -11.0778 -10.9670 PRESSURE: 4810000 -344.849 98.5006 -77.2709 98.5012 3.24264 -220.309 -77.2709 -220.309 -5.87676 GPRESSURE: 4810000 -314.136 44.0985 -17.9405 98.0818 -25.6252 -204.4 -110.29 -269.27 71.841 PRESSAVG: 4810000 34.3638 5.09514 32.9889 5.09514 22.9334 -0.11801 32.9889 -0.118129 -3.32148 GPRESSAVG: 4810000 33.6877 6.66844 34.2262 4.54621 24.4447 1.5829 33.892 -0.0800442 -3.65925 TIMING: 4810000 CPU: 15018.8, 0.00310818/step Wall: 15018.8, 0.00310818/step, 0.164043 hours remaining, 233.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4810000 3989.9905 20515.6810 14485.2925 250.2328 -203707.2143 2945.3059 0.0000 0.0000 52104.5704 -109416.1413 299.4457 -161520.7116 -109052.4379 298.9463 -115.8276 -89.3068 762166.7880 17.9919 18.1577 PRESSURE: 4810200 187.796 12.7957 138.474 12.7961 385.884 -161.615 138.473 -161.614 29.7925 GPRESSURE: 4810200 298.438 42.931 223.163 -4.61207 389.266 -115.731 60.5058 -251.226 7.35941 PRESSAVG: 4810200 26.3372 16.6401 -44.17 16.64 -17.6101 -8.90514 -44.17 -8.9051 11.4257 GPRESSAVG: 4810200 28.2991 14.5658 -44.6878 17.7396 -19.8388 -8.53107 -46.5958 -8.05689 12.0132 TIMING: 4810200 CPU: 15019.4, 0.00310232/step Wall: 15019.4, 0.00310232/step, 0.163561 hours remaining, 233.875000 MB of memory in use. ENERGY: 4810200 4051.2224 20475.6454 14401.0926 275.8642 -202945.0440 2617.3314 0.0000 0.0000 51793.2541 -109330.6338 297.6565 -161123.8880 -108967.8011 298.9283 201.1574 231.6877 762900.6549 6.7176 6.8245 PRESSURE: 4810400 -211.319 61.7671 192.661 61.7671 -138.89 188.974 192.661 188.974 90.3487 GPRESSURE: 4810400 -189.771 101.493 159.841 38.1936 -84.8754 218.703 238.012 113.115 90.254 PRESSAVG: 4810400 10.9373 15.7126 19.8538 15.7126 15.1695 4.5531 19.8539 4.55305 21.683 GPRESSAVG: 4810400 10.0261 15.1766 21.1405 14.5209 16.4078 5.38855 20.8464 3.39278 21.1132 TIMING: 4810400 CPU: 15020, 0.00311566/step Wall: 15020, 0.00311566/step, 0.164092 hours remaining, 233.875000 MB of memory in use. ENERGY: 4810400 4050.7040 20622.5819 14501.4678 260.6552 -203257.9000 2535.1842 0.0000 0.0000 52038.3187 -109248.9882 299.0649 -161287.3069 -108884.7358 299.2788 -86.6202 -61.4640 763262.0657 15.9299 15.8490 PRESSURE: 4810600 -118.442 -41.3457 -2.50373 -41.3456 -68.6486 -239.213 -2.50331 -239.213 -47.3736 GPRESSURE: 4810600 -84.6418 -8.18751 -52.3974 -14.6296 9.03797 -162.773 130.915 -174.632 -64.3517 PRESSAVG: 4810600 -0.223768 -31.2877 21.9225 -31.2877 9.15825 -10.499 21.9225 -10.499 4.42068 GPRESSAVG: 4810600 1.79449 -31.8456 21.0906 -30.2776 8.27962 -10.1842 22.0204 -9.30601 3.57162 TIMING: 4810600 CPU: 15020.6, 0.00309795/step Wall: 15020.6, 0.00309795/step, 0.162987 hours remaining, 233.875000 MB of memory in use. ENERGY: 4810600 4049.1615 20635.5380 14366.1209 247.1357 -203417.7002 2854.7269 0.0000 0.0000 52133.5232 -109131.4940 299.6121 -161265.0172 -108767.5368 299.4763 -78.1547 -46.6518 763331.3150 4.4517 4.5486 PRESSURE: 4810800 98.2686 44.8485 -184.386 44.8475 138.322 55.7365 -184.386 55.7352 -322.28 GPRESSURE: 4810800 113.487 67.5513 -112.16 169.714 117.276 117.764 -123.649 -32.8309 -228.648 PRESSAVG: 4810800 10.8666 17.8342 41.2365 17.8342 -16.5248 -18.6872 41.2365 -18.6872 -1.31962 GPRESSAVG: 4810800 9.17118 18.5603 41.7466 18.0934 -14.6126 -18.5855 43.0415 -20.6488 -0.847265 TIMING: 4810800 CPU: 15021.2, 0.00311546/step Wall: 15021.2, 0.00311546/step, 0.163735 hours remaining, 233.875000 MB of memory in use. ENERGY: 4810800 4058.3236 20434.1992 14402.2297 258.5743 -203063.9733 2689.7205 0.0000 0.0000 52174.3246 -109046.6014 299.8466 -161220.9260 -108681.3321 299.6247 -28.5631 0.7047 763770.8067 -2.3259 -2.0962 PRESSURE: 4811000 -129.977 -79.1078 -74.426 -79.1076 144.408 -43.2202 -74.4267 -43.2205 63.6916 GPRESSURE: 4811000 -34.0372 -203.478 -104.986 -110.66 142.178 -78.9785 -21.4812 -77.9151 68.8194 PRESSAVG: 4811000 -39.8953 -9.80449 -25.8469 -9.80449 7.02043 -25.2453 -25.8469 -25.2453 -5.62976 GPRESSAVG: 4811000 -39.9391 -10.7853 -26.2441 -10.2966 5.89833 -24.6277 -26.8467 -26.8314 -4.93335 TIMING: 4811000 CPU: 15021.9, 0.00310722/step Wall: 15021.9, 0.00310722/step, 0.163129 hours remaining, 233.875000 MB of memory in use. ENERGY: 4811000 4014.6281 20551.1172 14455.5584 256.2196 -203043.0204 2598.3177 0.0000 0.0000 51961.5679 -109205.6114 298.6238 -161167.1793 -108852.3897 299.5949 26.0410 58.9866 763542.4089 -12.8349 -12.9914 PRESSURE: 4811200 32.8276 -113.999 71.3527 -113.999 -63.4021 59.6275 71.3524 59.6274 -332.66 GPRESSURE: 4811200 32.3219 -48.6176 76.1754 -124.193 -59.0133 17.5574 59.7393 -39.5553 -262.644 PRESSAVG: 4811200 22.6172 12.6559 39.7748 12.656 19.0243 18.3727 39.7748 18.3727 -29.6661 GPRESSAVG: 4811200 23.6832 12.9762 39.9566 11.8433 18.075 16.4859 39.8216 19.3677 -30.5797 TIMING: 4811200 CPU: 15022.5, 0.00310504/step Wall: 15022.5, 0.00310504/step, 0.162842 hours remaining, 233.875000 MB of memory in use. ENERGY: 4811200 4088.2446 20441.6125 14493.3341 230.4280 -203699.3761 2948.1075 0.0000 0.0000 52133.7856 -109363.8640 299.6136 -161497.6496 -108992.3568 298.9582 -121.0782 -96.4452 763255.8534 3.9918 3.7261 PRESSURE: 4811400 152.119 70.8183 293.304 70.8192 -328.69 70.1519 293.304 70.1518 223.625 GPRESSURE: 4811400 132.85 84.5814 231.139 30.5542 -255.794 148.85 254.354 -2.29966 263.813 PRESSAVG: 4811400 -59.2732 14.4546 0.529622 14.4545 47.1062 11.7528 0.529693 11.7528 3.97196 GPRESSAVG: 4811400 -60.6295 14.8293 0.402378 14.6757 48.133 12.3289 1.22779 14.0416 5.03554 TIMING: 4811400 CPU: 15023.1, 0.00309982/step Wall: 15023.1, 0.00309982/step, 0.162396 hours remaining, 233.875000 MB of memory in use. ENERGY: 4811400 4000.0998 20419.2650 14517.5995 250.8897 -203133.3944 2585.5900 0.0000 0.0000 52014.1967 -109345.7536 298.9263 -161359.9503 -108980.9197 298.4167 15.6847 46.9564 763811.3976 -2.7317 -2.4870 PRESSURE: 4811600 -17.269 -28.3009 -85.9505 -28.3002 -135.098 -75.1413 -85.9506 -75.1426 -209.9 GPRESSURE: 4811600 -63.213 -58.055 -120.705 -1.12475 -53.2092 -58.2746 -47.1388 -103.368 -186.391 PRESSAVG: 4811600 -25.4195 -3.53194 20.1975 -3.53191 24.7127 -21.2245 20.1975 -21.2245 0.143794 GPRESSAVG: 4811600 -24.1614 -3.24851 19.9569 -3.04649 25.3424 -21.5 20.1041 -21.8623 -1.00965 TIMING: 4811600 CPU: 15023.7, 0.00309168/step Wall: 15023.7, 0.00309168/step, 0.161798 hours remaining, 233.875000 MB of memory in use. ENERGY: 4811600 3987.0024 20459.6693 14452.0509 252.6495 -203094.0140 2474.1527 0.0000 0.0000 52111.6782 -109356.8111 299.4865 -161468.4893 -108989.6078 298.9153 -120.7557 -100.9377 762616.9862 -0.1877 0.0571 PRESSURE: 4811800 -15.0601 -106.822 -107.833 -106.822 -167.046 24.8292 -107.833 24.8282 -158.113 GPRESSURE: 4811800 -39.9104 -77.7363 -192.816 -41.4416 -123.257 34.6551 34.8237 1.95878 -105.69 PRESSAVG: 4811800 32.1945 -14.6433 43.6363 -14.6433 -5.8112 -36.2374 43.6363 -36.2376 -3.92701 GPRESSAVG: 4811800 32.1948 -15.2228 41.9638 -14.9025 -7.50128 -36.5724 44.85 -37.0043 -2.74311 TIMING: 4811800 CPU: 15024.4, 0.00309966/step Wall: 15024.4, 0.00309966/step, 0.162043 hours remaining, 233.875000 MB of memory in use. ENERGY: 4811800 3954.0337 20360.5416 14515.1579 249.6321 -203260.1683 2652.2758 0.0000 0.0000 52122.7772 -109405.7499 299.5503 -161528.5272 -109042.6013 298.9148 -113.4061 -89.6191 762843.0245 7.4854 7.3168 PRESSURE: 4812000 -353.203 -111.667 47.4994 -111.666 -140.578 96.7757 47.4995 96.7752 -28.9925 GPRESSURE: 4812000 -265.745 -170.839 31.708 -60.3646 -109.039 27.1951 -11.7374 203.633 -62.8313 PRESSAVG: 4812000 -24.5858 -15.2152 10.5774 -15.2152 27.8984 -13.7229 10.5775 -13.7229 25.6758 GPRESSAVG: 4812000 -24.4952 -13.4511 10.4632 -14.7923 29.012 -13.7118 10.4527 -11.1621 24.8928 TIMING: 4812000 CPU: 15025, 0.00310145/step Wall: 15025, 0.00310145/step, 0.161965 hours remaining, 233.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4812000 4012.1332 20334.0900 14442.5989 270.6423 -203328.0060 2763.3039 0.0000 0.0000 51802.1562 -109703.0815 297.7077 -161505.2377 -109348.7403 298.5763 -174.2581 -145.8717 765297.3102 9.6628 9.8032 PRESSURE: 4812200 -117.325 19.287 141.158 19.2881 -56.6846 -108.85 141.158 -108.85 182.249 GPRESSURE: 4812200 -46.5713 -5.996 152.258 4.46338 -32.9439 -96.1698 80.7546 -118.626 153.347 PRESSAVG: 4812200 -28.3377 28.0065 25.3059 28.0065 43.902 -1.32503 25.3059 -1.32506 5.60472 GPRESSAVG: 4812200 -28.5687 27.4081 29.2449 27.5899 43.5902 -1.66261 23.5837 -3.1549 5.8352 TIMING: 4812200 CPU: 15025.6, 0.0031059/step Wall: 15025.6, 0.0031059/step, 0.162024 hours remaining, 233.875000 MB of memory in use. ENERGY: 4812200 3983.4529 20438.1708 14461.7566 225.9995 -203804.2458 3017.1775 0.0000 0.0000 52006.5228 -109671.1657 298.8822 -161677.6886 -109303.0243 298.2826 2.7465 24.6106 761691.3917 7.0563 6.9523 LDB: ============= START OF LOAD BALANCING ============== 15038.1 LDB: ============== END OF LOAD BALANCING =============== 15038.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15038.1 LDB: ============= START OF LOAD BALANCING ============== 15038.4 LDB: Largest compute 7027 load 0.030930 is 15.8% of average load 0.195245 LDB: Average compute 0.004408 is 2.3% of average load 0.195245 LDB: TIME 15038.4 LOAD: AVG 0.195245 MAX 0.214233 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.262 MB LDB: TIME 15038.4 LOAD: AVG 0.195245 MAX 0.214233 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.461 MB LDB: TIME 15038.4 LOAD: AVG 0.195245 MAX 0.214233 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.461 MB LDB: ============== END OF LOAD BALANCING =============== 15038.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15038.4 PRESSURE: 4812400 45.2031 141.104 27.7433 141.103 280.472 16.5879 27.7426 16.5878 456.659 GPRESSURE: 4812400 127.169 130.609 -24.4578 107.261 339.308 80.6806 49.4005 -124.536 402.109 PRESSAVG: 4812400 -34.406 -88.0817 -41.256 -88.0817 20.2299 8.91079 -41.256 8.91094 -11.4686 GPRESSAVG: 4812400 -33.9329 -89.4018 -44.7537 -88.7555 20.5357 8.58877 -39.8733 8.94131 -11.9289 TIMING: 4812400 CPU: 15026.2, 0.00315649/step Wall: 15026.2, 0.00315649/step, 0.164488 hours remaining, 233.238281 MB of memory in use. ENERGY: 4812400 3944.6418 20341.2795 14514.4052 239.5436 -204024.9517 3064.8558 0.0000 0.0000 51989.3950 -109930.8308 298.7838 -161920.2258 -109576.4816 297.6460 260.7782 289.5287 760935.0563 -8.5482 -8.4421 PRESSURE: 4812600 -35.3721 -27.0631 222.011 -27.063 335.186 355.579 222.01 355.579 81.1626 GPRESSURE: 4812600 121.603 -4.49747 279.929 -8.40473 259.097 397.871 185.497 312.667 97.1611 PRESSAVG: 4812600 -32.5609 1.89103 -1.01191 1.89105 -2.04166 -20.618 -1.01192 -20.618 -18.582 GPRESSAVG: 4812600 -33.1063 2.22715 1.30615 1.98312 -2.27485 -19.8227 -2.96308 -23.7636 -17.6609 TIMING: 4812600 CPU: 15026.8, 0.00309373/step Wall: 15026.8, 0.00309373/step, 0.161046 hours remaining, 233.238281 MB of memory in use. ENERGY: 4812600 3966.0304 20512.7194 14466.6340 238.2107 -203964.4187 2999.3948 0.0000 0.0000 52016.2340 -109765.1954 298.9380 -161781.4294 -109399.6384 298.2414 126.9923 159.2871 762047.3522 -17.7282 -17.6807 PRESSURE: 4812800 -231.689 102.928 -107.551 102.929 -121.892 42.2877 -107.551 42.2879 206.601 GPRESSURE: 4812800 -168.842 204.893 -121.12 195.456 -33.0945 71.131 -82.7793 9.75367 158.177 PRESSAVG: 4812800 -49.2574 1.2748 -1.32543 1.27481 70.661 -53.4381 -1.32543 -53.4381 3.73209 GPRESSAVG: 4812800 -48.2214 2.68149 -1.99873 2.599 70.6628 -53.6699 1.86502 -52.2705 2.84088 TIMING: 4812800 CPU: 15027.5, 0.00309977/step Wall: 15027.5, 0.00309977/step, 0.161188 hours remaining, 233.238281 MB of memory in use. ENERGY: 4812800 3923.8272 20441.0602 14442.6447 256.4138 -203441.9289 2627.1250 0.0000 0.0000 52053.4684 -109697.3896 299.1520 -161750.8580 -109339.9432 298.3637 -48.9934 -14.5863 762197.7220 8.3786 8.4274 PRESSURE: 4813000 110.518 7.89349 -63.7206 7.89369 -141.371 176.63 -63.7203 176.631 391.626 GPRESSURE: 4813000 139.012 51.2885 -51.75 -68.3658 -53.5718 167.908 0.0308389 226.097 358.514 PRESSAVG: 4813000 -26.6608 -67.836 10.0573 -67.836 5.5147 24.8646 10.0573 24.8646 -17.2474 GPRESSAVG: 4813000 -27.3993 -70.3327 10.0437 -67.154 5.29995 25.687 8.55317 26.111 -16.6654 TIMING: 4813000 CPU: 15028.1, 0.00309958/step Wall: 15028.1, 0.00309958/step, 0.161006 hours remaining, 233.238281 MB of memory in use. ENERGY: 4813000 4035.4710 20584.2648 14426.1253 247.7296 -203627.6279 2775.7458 0.0000 0.0000 51820.2630 -109738.0285 297.8118 -161558.2915 -109381.6799 298.4659 120.2580 147.9848 762673.3895 -12.7978 -12.9216 PRESSURE: 4813200 -465.883 -202.697 61.1154 -202.697 72.838 -237.889 61.116 -237.89 170.777 GPRESSURE: 4813200 -415.56 -162.187 91.3686 -219.042 54.7025 -223.789 54.2348 -273.664 196.738 PRESSAVG: 4813200 -60.6267 -62.2335 0.546388 -62.2335 60.8165 3.33579 0.546308 3.33583 8.02551 GPRESSAVG: 4813200 -61.1026 -61.0559 -0.993776 -63.3928 60.6493 2.32527 -1.20762 4.55825 8.35551 TIMING: 4813200 CPU: 15028.7, 0.00309989/step Wall: 15028.7, 0.00309989/step, 0.16085 hours remaining, 233.238281 MB of memory in use. ENERGY: 4813200 3974.6352 20433.8778 14460.2585 246.2300 -203276.2347 2668.5393 0.0000 0.0000 51860.2634 -109632.4305 298.0416 -161492.6939 -109270.2220 298.2630 -74.0891 -54.7066 763559.6946 2.7384 2.6341 PRESSURE: 4813400 -253.662 88.5846 -75.814 88.5843 -118.815 285.317 -75.8135 285.317 24.5253 GPRESSURE: 4813400 -185.962 8.15312 -51.1077 58.9951 -142.403 227.64 -68.2384 133.33 47.2301 PRESSAVG: 4813400 5.65557 -22.6593 -37.3942 -22.6594 -42.1374 -26.2674 -37.3941 -26.2674 7.96649 GPRESSAVG: 4813400 6.23975 -23.4086 -36.4505 -22.4891 -40.9952 -26.4444 -37.3486 -26.8807 6.743 TIMING: 4813400 CPU: 15029.3, 0.00308958/step Wall: 15029.3, 0.00308958/step, 0.160143 hours remaining, 233.238281 MB of memory in use. ENERGY: 4813400 3986.8909 20682.4468 14414.3745 240.6040 -203183.1955 2444.1489 0.0000 0.0000 51956.6477 -109458.0826 298.5956 -161414.7303 -109098.9416 297.9989 -115.9842 -93.7115 762570.5839 -9.5051 -9.3375 PRESSURE: 4813600 -65.2394 -117.816 -98.0602 -117.817 156.985 236.938 -98.0609 236.939 -493.06 GPRESSURE: 4813600 68.4116 -54.9903 -92.6195 -87.3196 118.421 197.591 -79.3706 189.021 -494.887 PRESSAVG: 4813600 32.4801 -42.0371 -8.55115 -42.037 -0.497266 46.2611 -8.55114 46.2611 -8.36234 GPRESSAVG: 4813600 31.7764 -41.0306 -8.74216 -43.3837 -1.37124 47.7513 -6.25837 44.8791 -6.64401 TIMING: 4813600 CPU: 15029.9, 0.0030786/step Wall: 15029.9, 0.0030786/step, 0.159403 hours remaining, 233.238281 MB of memory in use. ENERGY: 4813600 4011.5276 20597.9237 14532.4285 241.8884 -203730.0482 2852.9970 0.0000 0.0000 51789.4546 -109703.8284 297.6347 -161493.2830 -109340.1772 298.5816 -133.7714 -102.6848 764514.9007 7.8735 7.9204 PRESSURE: 4813800 -126.928 20.3708 248.752 20.3713 348.588 -256.584 248.752 -256.583 145.042 GPRESSURE: 4813800 35.3954 14.6259 209.599 27.0555 263.058 -226.72 11.8813 -180.196 169.741 PRESSAVG: 4813800 -15.432 -13.7591 -44.287 -13.7591 15.78 -12.5488 -44.287 -12.5488 -3.00323 GPRESSAVG: 4813800 -14.6937 -13.9263 -44.6085 -12.4641 15.7251 -13.5924 -46.3289 -12.4562 -3.73393 TIMING: 4813800 CPU: 15030.6, 0.00309983/step Wall: 15030.6, 0.00309983/step, 0.16033 hours remaining, 233.238281 MB of memory in use. ENERGY: 4813800 3989.1012 20517.3186 14510.6672 238.6486 -203496.5965 2705.8353 0.0000 0.0000 52156.7558 -109378.2697 299.7456 -161535.0255 -109014.8400 298.9482 122.2343 156.0649 761701.0819 -0.8851 -0.9009 PRESSURE: 4814000 -212.207 -186.156 -157.577 -186.156 -241.376 -6.49606 -157.578 -6.49553 -4.29907 GPRESSURE: 4814000 -235.916 -232.679 -197.114 -46.8258 -132.055 41.6513 -65.3126 -158.951 2.86829 PRESSAVG: 4814000 10.5699 2.62267 -12.5236 2.62272 9.66716 27.9601 -12.5236 27.9601 1.73873 GPRESSAVG: 4814000 10.2579 3.29161 -11.5988 2.75364 9.98684 28.3993 -11.253 29.1801 0.902683 TIMING: 4814000 CPU: 15031.2, 0.00309004/step Wall: 15031.2, 0.00309004/step, 0.159652 hours remaining, 233.238281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4814000 3913.3941 20534.1197 14487.1196 238.6587 -203215.2558 2526.2821 0.0000 0.0000 52196.6362 -109319.0455 299.9748 -161515.6818 -108956.0606 299.1207 -152.6276 -121.7008 761836.9168 7.3252 7.0491 PRESSURE: 4814200 -174.579 93.9298 115.574 93.9304 -355.971 133.713 115.574 133.713 169.84 GPRESSURE: 4814200 -256.602 69.1231 125.433 2.41513 -133.341 124.152 145.874 61.406 121.574 PRESSAVG: 4814200 -35.8809 47.1146 -44.6397 47.1145 42.1553 46.6073 -44.6398 46.6073 -20.6627 GPRESSAVG: 4814200 -35.8449 44.8258 -44.5816 47.9209 40.9741 44.2829 -43.6597 47.9239 -19.501 TIMING: 4814200 CPU: 15031.8, 0.00309223/step Wall: 15031.8, 0.00309223/step, 0.159593 hours remaining, 233.238281 MB of memory in use. ENERGY: 4814200 3995.3498 20485.6408 14535.6782 245.3867 -203455.5159 2643.8723 0.0000 0.0000 51931.0206 -109618.5675 298.4483 -161549.5880 -109263.1465 298.9137 -120.2366 -89.4565 761872.4339 -4.7961 -4.7906 PRESSURE: 4814400 22.8591 -80.8391 -242.478 -80.8393 -0.195596 50.5001 -242.478 50.5013 -92.5854 GPRESSURE: 4814400 53.5351 -81.5671 -209.275 -36.5113 -1.11082 29.8173 -159.181 79.9453 -42.6663 PRESSAVG: 4814400 50.5767 -11.1624 -55.6279 -11.1624 -57.7398 -39.1962 -55.6278 -39.1961 -8.62459 GPRESSAVG: 4814400 49.3212 -10.3745 -55.659 -11.5955 -56.9768 -37.1751 -54.8339 -39.4544 -8.08968 TIMING: 4814400 CPU: 15032.4, 0.00309926/step Wall: 15032.4, 0.00309926/step, 0.159784 hours remaining, 233.238281 MB of memory in use. ENERGY: 4814400 3888.6113 20460.0265 14447.9066 236.3974 -203519.6538 2748.1844 0.0000 0.0000 52033.6201 -109704.9075 299.0379 -161738.5276 -109339.6846 298.5682 -23.3073 3.2527 761532.9243 -5.2625 -5.2484 PRESSURE: 4814600 -16.3388 -60.3818 -53.4629 -60.3824 47.4206 -26.4915 -53.4635 -26.4913 291.846 GPRESSURE: 4814600 -2.92368 -73.2687 45.8401 -70.9118 38.854 -19.7405 -102.48 75.1376 366.651 PRESSAVG: 4814600 2.44729 16.7693 48.332 16.7692 -28.3012 -28.1435 48.332 -28.1435 20.2283 GPRESSAVG: 4814600 3.34167 17.9746 47.1381 14.4894 -28.331 -27.6805 46.9349 -29.0065 19.5172 TIMING: 4814600 CPU: 15033, 0.00309362/step Wall: 15033, 0.00309362/step, 0.159321 hours remaining, 233.238281 MB of memory in use. ENERGY: 4814600 3993.4689 20539.1183 14492.9540 245.7725 -203466.2823 2794.1468 0.0000 0.0000 51553.3129 -109847.5089 296.2776 -161400.8219 -109498.1374 298.1330 107.6426 134.1937 760694.7040 -1.8752 -1.8241 PRESSURE: 4814800 -566.479 -164.408 62.4647 -164.408 -179.983 -87.8815 62.4639 -87.8815 -96.622 GPRESSURE: 4814800 -444.772 -93.3705 87.7114 -137.912 -280.926 -44.4237 114.532 -104.663 -18.4574 PRESSAVG: 4814800 -18.3899 1.08909 40.7736 1.08908 -6.88661 -19.9817 40.7736 -19.9817 -5.60057 GPRESSAVG: 4814800 -17.5025 -1.75779 41.3805 3.72376 -7.73336 -20.6463 41.1537 -19.331 -5.16089 TIMING: 4814800 CPU: 15033.6, 0.00309584/step Wall: 15033.6, 0.00309584/step, 0.159264 hours remaining, 233.238281 MB of memory in use. ENERGY: 4814800 4063.6027 20675.2218 14430.5515 241.7392 -203513.0071 2373.3569 0.0000 0.0000 51971.8500 -109756.6850 298.6829 -161728.5350 -109411.7313 298.0456 -281.0283 -248.0518 760437.5510 -10.2924 -10.1323 PRESSURE: 4815000 122.215 139.855 167.967 139.856 35.4031 -46.6516 167.966 -46.651 -213.218 GPRESSURE: 4815000 6.47957 215.587 229.752 207.053 105.567 6.71859 100.022 -67.6113 -116.078 PRESSAVG: 4815000 -26.0443 -14.069 -25.8822 -14.069 20.4722 -41.3307 -25.8822 -41.3307 -6.81391 GPRESSAVG: 4815000 -26.295 -12.747 -25.6416 -15.8822 20.3567 -40.6294 -26.2215 -41.6407 -6.82945 TIMING: 4815000 CPU: 15034.3, 0.00308484/step Wall: 15034.3, 0.00308484/step, 0.158527 hours remaining, 233.238281 MB of memory in use. ENERGY: 4815000 3941.9865 20580.9836 14479.2890 220.8369 -203230.3401 2401.7551 0.0000 0.0000 51840.3779 -109765.1111 297.9274 -161605.4890 -109402.4462 298.5144 -18.5333 -1.3439 762244.3619 -4.1287 -4.2559 PRESSURE: 4815200 -275.91 56.4595 86.5936 56.4593 -164.083 -74.1723 86.5931 -74.1725 -638.054 GPRESSURE: 4815200 -312.91 95.9917 82.6078 70.1482 -110.828 -35.2441 127.331 -114 -559.95 PRESSAVG: 4815200 48.343 -13.8039 -19.5784 -13.8039 -35.8646 -25.4078 -19.5783 -25.4078 -8.50938 GPRESSAVG: 4815200 48.6039 -14.0771 -21.7614 -11.6447 -33.5058 -25.989 -19.479 -26.2386 -10.4479 TIMING: 4815200 CPU: 15034.9, 0.00308493/step Wall: 15034.9, 0.00308493/step, 0.15836 hours remaining, 233.238281 MB of memory in use. ENERGY: 4815200 4038.5624 20602.9278 14588.7926 254.0641 -203354.7664 2386.5893 0.0000 0.0000 51995.0621 -109488.7681 298.8163 -161483.8302 -109124.2618 298.9088 -359.3485 -327.8960 762057.1449 1.3230 1.5501 PRESSURE: 4815400 -127.5 -25.1302 321.049 -25.1305 -49.0125 23.789 321.049 23.789 -422.536 GPRESSURE: 4815400 -68.571 -72.2105 386.608 -12.9458 -54.0662 2.11109 295.587 55.413 -388.665 PRESSAVG: 4815400 -7.05229 29.2525 41.9409 29.2526 -0.972349 -16.147 41.941 -16.147 -17.069 GPRESSAVG: 4815400 -7.99184 30.0572 44.3615 28.491 -0.869473 -14.9652 42.634 -15.6789 -16.174 TIMING: 4815400 CPU: 15035.5, 0.00307483/step Wall: 15035.5, 0.00307483/step, 0.15767 hours remaining, 233.238281 MB of memory in use. ENERGY: 4815400 4117.4363 20473.7313 14421.4398 247.0185 -203454.2653 2748.2032 0.0000 0.0000 52039.1072 -109407.3290 299.0695 -161446.4361 -109049.6828 299.2786 -199.6829 -170.4341 762872.7184 -8.3645 -8.3451 PRESSURE: 4815600 -83.591 -45.9179 -171.008 -45.9174 74.953 -93.6959 -171.009 -93.6948 64.4352 GPRESSURE: 4815600 18.5313 -17.0632 -132.896 -137.403 0.383023 -95.9503 -216.053 -21.6052 103.652 PRESSAVG: 4815600 51.6402 -81.6276 5.9705 -81.6276 -29.5402 -36.343 5.97049 -36.3431 -19.4671 GPRESSAVG: 4815600 53.7096 -81.3269 4.12114 -81.5975 -31.4877 -37.2836 6.26586 -34.4683 -19.9248 TIMING: 4815600 CPU: 15036.1, 0.00309046/step Wall: 15036.1, 0.00309046/step, 0.1583 hours remaining, 233.238281 MB of memory in use. ENERGY: 4815600 3982.2814 20484.6399 14523.3442 248.1250 -203940.6430 3126.4394 0.0000 0.0000 52171.1884 -109404.6248 299.8285 -161575.8132 -109042.0936 299.5952 18.5991 40.8555 761618.6671 0.8776 0.7657 PRESSURE: 4815800 -462.901 -118.709 -337.616 -118.708 -60.8831 123.661 -337.616 123.661 -143.027 GPRESSURE: 4815800 -419.209 -31.3029 -242.089 -130.676 -17.918 215.428 -187.528 21.1615 -130.943 PRESSAVG: 4815800 71.6049 -54.5101 8.89303 -54.5101 -18.2829 21.6316 8.89304 21.6316 23.4514 GPRESSAVG: 4815800 70.4359 -55.0244 9.88159 -54.7311 -17.6206 21.2977 8.78498 20.6294 24.3801 TIMING: 4815800 CPU: 15036.7, 0.00309425/step Wall: 15036.7, 0.00309425/step, 0.158322 hours remaining, 233.238281 MB of memory in use. ENERGY: 4815800 4021.9608 20586.1615 14444.8718 241.8963 -203212.4545 2459.4108 0.0000 0.0000 51932.9862 -109525.1671 298.4596 -161458.1533 -109160.6279 299.5011 -222.2703 -189.3567 762098.4916 25.5911 25.7318 PRESSURE: 4816000 73.4235 56.5816 -68.7762 56.5821 -293.953 -213.083 -68.7764 -213.083 -107.77 GPRESSURE: 4816000 116.166 -74.2367 -172.226 55.1674 -208.425 -203.298 -80.5347 -257.292 -159.166 PRESSAVG: 4816000 21.1608 -17.0817 -24.653 -17.0817 -21.9157 -14.28 -24.653 -14.2801 24.7318 GPRESSAVG: 4816000 21.179 -18.042 -25.4209 -17.3091 -21.0961 -15.2945 -24.71 -14.498 23.6486 TIMING: 4816000 CPU: 15037.4, 0.00309753/step Wall: 15037.4, 0.00309753/step, 0.158318 hours remaining, 233.238281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4816000 4062.5546 20413.2948 14512.7552 242.6252 -203453.7025 2675.6283 0.0000 0.0000 51857.3671 -109689.4773 298.0250 -161546.8444 -109326.0672 298.7527 -109.4334 -83.8085 760883.7698 7.9923 7.9105 PRESSURE: 4816200 -70.0411 -24.6567 10.72 -24.6564 43.0122 -193.501 10.7193 -193.5 -58.4563 GPRESSURE: 4816200 14.8695 -121.797 28.0054 -85.2064 46.7464 -210.406 -7.58825 -248.979 -44.9129 PRESSAVG: 4816200 47.0362 -76.7564 56.4858 -76.7564 -7.11426 12.5284 56.4858 12.5285 -3.7377 GPRESSAVG: 4816200 46.45 -79.5134 55.6175 -75.8916 -6.29416 12.7694 57.1171 13.1358 -3.80977 TIMING: 4816200 CPU: 15038, 0.00309203/step Wall: 15038, 0.00309203/step, 0.157865 hours remaining, 233.238281 MB of memory in use. ENERGY: 4816200 4012.1385 20467.8287 14460.8068 241.1143 -203684.8588 2611.0729 0.0000 0.0000 52182.2764 -109709.6213 299.8923 -161891.8977 -109354.2260 298.7595 -28.4951 5.5677 760293.3484 12.0614 12.1154 LDB: ============= START OF LOAD BALANCING ============== 15050.4 LDB: ============== END OF LOAD BALANCING =============== 15050.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15050.5 LDB: ============= START OF LOAD BALANCING ============== 15050.8 LDB: Largest compute 7047 load 0.030351 is 15.5% of average load 0.195276 LDB: Average compute 0.004421 is 2.3% of average load 0.195276 LDB: TIME 15050.8 LOAD: AVG 0.195276 MAX 0.215305 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.262 MB LDB: TIME 15050.8 LOAD: AVG 0.195276 MAX 0.215305 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.465 MB LDB: TIME 15050.8 LOAD: AVG 0.195276 MAX 0.215305 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.465 MB LDB: ============== END OF LOAD BALANCING =============== 15050.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15050.8 PRESSURE: 4816400 124.253 -266.212 -23.2148 -266.213 -37.1749 13.8481 -23.2152 13.8484 -122.99 GPRESSURE: 4816400 142.651 -110.584 -111.287 -236.363 51.5151 -3.54317 15.8648 16.4347 -149.41 PRESSAVG: 4816400 -16.0687 -52.3288 -43.0293 -52.3288 -33.6234 -53.7833 -43.0293 -53.7833 3.48552 GPRESSAVG: 4816400 -14.9884 -48.2209 -41.0578 -51.8982 -35.507 -52.527 -44.5674 -53.8019 3.61898 TIMING: 4816400 CPU: 15038.6, 0.00317707/step Wall: 15038.6, 0.00317707/step, 0.162031 hours remaining, 234.519531 MB of memory in use. ENERGY: 4816400 3966.7037 20499.4695 14453.1208 235.6048 -203461.6720 2603.3206 0.0000 0.0000 52077.6035 -109625.8492 299.2907 -161703.4527 -109263.6222 298.3690 -11.9706 14.9185 761139.1852 -15.4022 -15.6255 PRESSURE: 4816600 -242.513 -187.586 -179.251 -187.587 -284.135 -56.0467 -179.25 -56.0474 -360.725 GPRESSURE: 4816600 -140.313 -224.233 -145.823 -278.262 -263.804 7.21957 -247.225 57.1642 -384.368 PRESSAVG: 4816600 42.1078 -42.6399 -22.4744 -42.6399 12.4724 -22.1782 -22.4744 -22.1782 -4.07233 GPRESSAVG: 4816600 41.7508 -45.358 -22.4517 -43.4337 13.2619 -21.689 -23.2991 -21.3185 -4.42154 TIMING: 4816600 CPU: 15039.2, 0.00311705/step Wall: 15039.2, 0.00311705/step, 0.158797 hours remaining, 234.589844 MB of memory in use. ENERGY: 4816600 4104.2998 20547.1695 14519.6007 256.6268 -203311.2271 2697.0522 0.0000 0.0000 51660.4197 -109526.0585 296.8931 -161186.4782 -109170.9916 298.7418 -295.7908 -262.8284 762101.4189 16.8360 16.8637 PRESSURE: 4816800 -241.729 -42.1389 204.245 -42.1382 67.7416 195.113 204.245 195.115 95.5101 GPRESSURE: 4816800 -133.023 -21.5271 163.47 78.4829 50.8769 174.117 166.127 285.317 79.1213 PRESSAVG: 4816800 15.5672 -20.3398 -12.7525 -20.3398 -15.3813 2.94181 -12.7524 2.94176 -0.964235 GPRESSAVG: 4816800 15.7646 -19.5937 -14.1306 -19.8763 -14.6787 3.09399 -10.3174 1.72344 -1.42394 TIMING: 4816800 CPU: 15039.9, 0.00310433/step Wall: 15039.9, 0.00310433/step, 0.157976 hours remaining, 234.589844 MB of memory in use. ENERGY: 4816800 3922.9348 20382.7978 14499.6277 259.2707 -203341.3885 2566.6592 0.0000 0.0000 51924.9218 -109785.1766 298.4132 -161710.0983 -109422.2771 298.7480 -26.1589 -1.0081 762967.0729 -0.2594 -0.1127 PRESSURE: 4817000 8.1161 54.2777 240.427 54.2774 -39.4031 -47.8485 240.427 -47.8465 52.7781 GPRESSURE: 4817000 -30.2827 -13.2864 280.396 -63.448 91.566 -43.9359 186.549 25.2123 30.9624 PRESSAVG: 4817000 -16.1494 -15.2935 38.5825 -15.2936 18.6453 45.5397 38.5825 45.5397 -13.1209 GPRESSAVG: 4817000 -16.2463 -16.2005 38.9219 -15.9626 18.1656 43.6083 39.0493 44.3562 -12.7555 TIMING: 4817000 CPU: 15040.5, 0.00309098/step Wall: 15040.5, 0.00309098/step, 0.157125 hours remaining, 234.589844 MB of memory in use. ENERGY: 4817000 4026.7286 20252.9407 14522.8377 248.2422 -203464.3357 2666.3415 0.0000 0.0000 52183.0104 -109564.2346 299.8965 -161747.2450 -109188.9318 298.6950 7.1637 30.7485 760549.8097 -3.5417 -3.6120 PRESSURE: 4817200 -75.8624 146.504 269.801 146.503 141.371 -204.405 269.801 -204.406 176.13 GPRESSURE: 4817200 -42.338 183.898 212.639 196.039 187.098 -270.909 223.817 -117.856 175.709 PRESSAVG: 4817200 -39.4917 -39.1674 -12.4188 -39.1674 50.7913 -19.9201 -12.4188 -19.9201 -16.5688 GPRESSAVG: 4817200 -39.6644 -39.6097 -12.9787 -39.1136 51.1988 -18.3179 -14.8281 -19.3263 -17.1559 TIMING: 4817200 CPU: 15041.1, 0.00309364/step Wall: 15041.1, 0.00309364/step, 0.157088 hours remaining, 234.578125 MB of memory in use. ENERGY: 4817200 4037.8416 20529.3429 14461.4316 248.5561 -203328.5011 2635.0671 0.0000 0.0000 52286.5576 -109129.7042 300.4916 -161416.2618 -108763.6597 299.6752 80.5462 106.8230 761690.9087 -1.7564 -1.8738 PRESSURE: 4817400 -435.925 -213.28 -75.5696 -213.279 -622.307 -132.402 -75.57 -132.402 -129.929 GPRESSURE: 4817400 -413.06 -231.756 -136.876 -184.576 -535.195 -64.2391 52.84 -67.8 -135.753 PRESSAVG: 4817400 7.63662 -46.487 19.724 -46.487 7.07598 30.2668 19.724 30.2668 8.23665 GPRESSAVG: 4817400 7.88498 -46.3869 21.3472 -45.5938 5.64894 29.4851 21.1476 29.6759 8.96523 TIMING: 4817400 CPU: 15041.7, 0.00309926/step Wall: 15041.7, 0.00309926/step, 0.157202 hours remaining, 234.578125 MB of memory in use. ENERGY: 4817400 4121.8759 20321.5718 14533.4841 255.2239 -203084.5177 2669.2967 0.0000 0.0000 51961.5206 -109221.5447 298.6236 -161183.0653 -108859.0257 299.5256 -396.0539 -361.3362 764757.9537 7.6497 7.4997 PRESSURE: 4817600 -240.69 -156.195 66.6459 -156.196 -109.641 66.186 66.6459 66.1858 -278.11 GPRESSURE: 4817600 -118.5 -189.187 71.1772 -207.38 -100.106 13.6508 19.3919 128.88 -331.437 PRESSAVG: 4817600 -11.5494 -50.2802 41.7539 -50.2803 -2.19003 -24.1218 41.7539 -24.1218 -2.19354 GPRESSAVG: 4817600 -12.575 -48.9096 41.388 -51.3079 -1.25507 -23.9588 41.8505 -23.4385 -2.33794 TIMING: 4817600 CPU: 15042.3, 0.00309605/step Wall: 15042.3, 0.00309605/step, 0.156867 hours remaining, 234.578125 MB of memory in use. ENERGY: 4817600 3929.3969 20420.9729 14443.6614 247.3995 -203144.2094 2617.2113 0.0000 0.0000 52025.8745 -109459.6929 298.9934 -161485.5674 -109090.3057 298.9412 -209.4803 -183.3478 764016.8698 -5.3110 -5.3893 PRESSURE: 4817800 -36.2722 185.838 63.3037 185.838 -230.005 -118.581 63.3047 -118.582 -147.584 GPRESSURE: 4817800 55.7829 154.647 67.0249 206.858 -216.83 -92.9449 74.3252 -73.9227 -165.115 PRESSAVG: 4817800 -4.20405 -17.7818 -7.10991 -17.7818 14.7481 -14.9496 -7.10996 -14.9495 11.6671 GPRESSAVG: 4817800 -4.35045 -19.0082 -8.70729 -18.0117 14.7472 -16.6682 -6.1903 -14.358 11.737 TIMING: 4817800 CPU: 15042.9, 0.00310382/step Wall: 15042.9, 0.00310382/step, 0.157088 hours remaining, 234.589844 MB of memory in use. ENERGY: 4817800 4016.4999 20509.5697 14428.3175 253.3997 -203421.6164 2940.2048 0.0000 0.0000 51915.2342 -109358.3905 298.3576 -161273.6247 -109005.0968 298.9044 -137.9537 -108.7208 763493.2533 7.4037 7.3779 PRESSURE: 4818000 226.22 149.516 323.924 149.515 196.576 -82.001 323.925 -82.001 -304.002 GPRESSURE: 4818000 316.661 94.5115 249.102 54.2285 210.573 -70.9403 362.949 -159.303 -323.915 PRESSAVG: 4818000 3.95765 -14.9142 29.5516 -14.9142 -39.0383 44.5271 29.5517 44.527 32.4001 GPRESSAVG: 4818000 4.58063 -14.9688 29.8172 -13.8576 -39.2432 45.6766 28.7806 44.0323 31.9693 TIMING: 4818000 CPU: 15043.6, 0.00311097/step Wall: 15043.6, 0.00311097/step, 0.157277 hours remaining, 234.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4818000 4005.7468 20451.6734 14403.0316 265.6206 -203525.7712 2936.4469 0.0000 0.0000 52116.6121 -109346.6399 299.5149 -161463.2519 -108977.6618 299.0412 39.5983 67.7732 761569.5077 -0.8935 -0.8978 PRESSURE: 4818200 32.4833 22.9429 -25.1759 22.9429 -178.777 197.528 -25.1758 197.528 -21.237 GPRESSURE: 4818200 9.88167 85.1621 -29.8527 143.79 -74.8438 207.088 57.6967 66.3939 -31.192 PRESSAVG: 4818200 20.141 -14.865 14.2713 -14.865 12.3022 27.6834 14.2713 27.6833 -7.41473 GPRESSAVG: 4818200 19.9321 -15.2307 14.271 -15.0917 13.1931 26.6764 14.9846 27.5878 -8.03444 TIMING: 4818200 CPU: 15044.2, 0.00309238/step Wall: 15044.2, 0.00309238/step, 0.156165 hours remaining, 234.589844 MB of memory in use. ENERGY: 4818200 4023.7157 20553.7418 14379.9640 234.5319 -203144.5043 2719.0315 0.0000 0.0000 51885.1201 -109348.3994 298.1845 -161233.5195 -108996.0166 299.1458 -55.8437 -32.0514 762375.1477 8.3428 8.3636 PRESSURE: 4818400 -431.352 70.7538 112.473 70.7542 -480.39 73.4654 112.472 73.4654 -112.961 GPRESSURE: 4818400 -459.357 46.4478 134.769 59.5387 -406.41 60.7666 59.9376 -61.1257 -67.0005 PRESSAVG: 4818400 79.1808 22.892 78.986 22.892 -79.1304 -9.88748 78.986 -9.88749 -6.9058 GPRESSAVG: 4818400 79.0056 25.984 80.0623 24.2249 -80.3273 -8.06153 79.7062 -9.29828 -5.56149 TIMING: 4818400 CPU: 15044.8, 0.00311223/step Wall: 15044.8, 0.00311223/step, 0.156995 hours remaining, 234.589844 MB of memory in use. ENERGY: 4818400 4031.0745 20476.0309 14441.1329 241.2526 -203211.2906 2503.1304 0.0000 0.0000 52156.8189 -109361.8504 299.7460 -161518.6693 -108994.4182 299.3853 -341.5678 -310.9226 764154.3604 -2.2851 -2.2944 PRESSURE: 4818600 -16.2187 17 31.0735 16.9997 108.395 57.6949 31.0736 57.6957 -149.527 GPRESSURE: 4818600 7.2172 57.3612 -1.0641 -55.2003 203.915 50.137 157.291 21.6933 -176.932 PRESSAVG: 4818600 -2.757 13.88 60.6169 13.88 21.9168 -49.3359 60.6168 -49.3359 22.9081 GPRESSAVG: 4818600 -3.1011 10.9145 60.0534 13.6523 22.056 -50.4296 59.3083 -49.6183 23.4479 TIMING: 4818600 CPU: 15045.4, 0.00310794/step Wall: 15045.4, 0.00310794/step, 0.156606 hours remaining, 234.589844 MB of memory in use. ENERGY: 4818600 3991.1603 20611.8467 14446.9170 262.6201 -203371.3710 2715.4809 0.0000 0.0000 51937.1512 -109406.1947 298.4835 -161343.3459 -109052.3072 299.1797 -19.1171 11.4001 762377.9524 14.0226 14.1342 PRESSURE: 4818800 -307.517 -258.001 -246.077 -258.002 -115.785 -36.0062 -246.076 -36.0058 310.153 GPRESSURE: 4818800 -289.862 -231.385 -385.977 -126.438 -78.4557 -23.4583 -202.362 -79.0688 334.439 PRESSAVG: 4818800 29.7104 -29.963 53.8957 -29.963 -42.4123 -35.0722 53.8958 -35.0722 6.40284 GPRESSAVG: 4818800 29.6821 -28.1906 54.1333 -31.4454 -41.6206 -36.3982 56.03 -36.1565 5.73906 TIMING: 4818800 CPU: 15046.1, 0.00310152/step Wall: 15046.1, 0.00310152/step, 0.15611 hours remaining, 234.589844 MB of memory in use. ENERGY: 4818800 3943.5808 20508.4826 14507.8311 235.5193 -202898.7190 2373.5970 0.0000 0.0000 51852.3197 -109477.3884 297.9960 -161329.7081 -109114.0585 298.7637 -37.7165 -11.2927 763601.0050 -2.0997 -2.0665 PRESSURE: 4819000 307.824 -124.52 -150.311 -124.521 -92.9624 -40.761 -150.311 -40.7603 -91.1998 GPRESSURE: 4819000 383.792 -213.901 -71.1499 -15.0441 -35.5755 -40.6433 -87.5989 2.65831 -128.247 PRESSAVG: 4819000 14.9609 -31.4653 44.0421 -31.4654 -12.7117 -11.5014 44.0421 -11.5014 12.6295 GPRESSAVG: 4819000 15.1592 -33.108 43.8793 -30.9847 -12.0387 -8.1085 40.2178 -11.037 11.8587 TIMING: 4819000 CPU: 15046.7, 0.00310025/step Wall: 15046.7, 0.00310025/step, 0.155874 hours remaining, 234.589844 MB of memory in use. ENERGY: 4819000 4009.6163 20478.7671 14427.7250 234.0908 -203311.9647 2684.0099 0.0000 0.0000 52211.2469 -109266.5087 300.0588 -161477.7556 -108901.2638 299.3905 41.2206 73.3229 761643.1119 4.9596 4.9931 PRESSURE: 4819200 26.5107 -200.574 60.4848 -200.574 -142.419 168.563 60.4841 168.564 208.93 GPRESSURE: 4819200 120.14 -142.238 -2.90995 -116.752 -97.1424 155.193 117.878 147.583 144.413 PRESSAVG: 4819200 -8.59208 -30.3771 13.9644 -30.3771 5.76838 -22.1296 13.9644 -22.1296 4.3189 GPRESSAVG: 4819200 -8.08146 -29.3365 14.4504 -30.6128 5.66089 -24.4939 15.8037 -22.7578 4.09676 TIMING: 4819200 CPU: 15047.3, 0.00310038/step Wall: 15047.3, 0.00310038/step, 0.155708 hours remaining, 234.589844 MB of memory in use. ENERGY: 4819200 3970.7864 20339.4243 14416.0322 252.7546 -203164.5709 2715.9919 0.0000 0.0000 52093.7609 -109375.8206 299.3836 -161469.5814 -109010.5524 299.4920 31.0071 55.8036 762812.1574 0.4984 0.5587 PRESSURE: 4819400 73.6977 -274.413 -157.739 -274.413 247.437 148.897 -157.739 148.897 -467.685 GPRESSURE: 4819400 -18.193 -143.969 -106.576 -221.684 393.058 210.541 -209.929 111.562 -419.472 PRESSAVG: 4819400 -10.4081 -65.6892 -15.9521 -65.6891 47.7472 56.227 -15.9522 56.2271 0.462651 GPRESSAVG: 4819400 -11.167 -67.1671 -17.3594 -65.1983 47.4172 57.2703 -15.0117 54.8942 1.61389 TIMING: 4819400 CPU: 15047.9, 0.00307271/step Wall: 15047.9, 0.00307271/step, 0.154148 hours remaining, 234.589844 MB of memory in use. ENERGY: 4819400 3990.4347 20433.2756 14434.1316 238.5633 -202658.7726 2508.7245 0.0000 0.0000 51814.7839 -109238.8589 297.7803 -161053.6428 -108888.0905 299.2303 -48.8501 -14.8689 762338.3322 12.6006 12.6214 PRESSURE: 4819600 417.761 225.328 98.4145 225.329 289.311 -126.276 98.4142 -126.275 -2.04819 GPRESSURE: 4819600 407.586 306.379 191.21 181.439 340.343 -163.78 129.426 -105.7 39.3321 PRESSAVG: 4819600 -18.3514 -1.03012 93.5314 -1.03015 5.17947 5.23527 93.5314 5.23523 11.2042 GPRESSAVG: 4819600 -17.4659 -0.0776816 94.6203 -1.85601 4.16689 3.41329 93.3192 5.62616 11.6833 TIMING: 4819600 CPU: 15048.5, 0.00309721/step Wall: 15048.5, 0.00309721/step, 0.155205 hours remaining, 234.589844 MB of memory in use. ENERGY: 4819600 4025.8553 20222.8758 14440.3807 229.0546 -203207.8954 2781.2955 0.0000 0.0000 52265.3657 -109243.0678 300.3698 -161508.4335 -108875.5668 299.0416 235.0079 262.4206 759812.6676 -0.6559 -0.5385 PRESSURE: 4819800 173.431 -151.856 24.003 -151.856 303.587 -23.4154 24.0038 -23.4149 136.103 GPRESSURE: 4819800 275.209 -183.405 -21.0721 -69.9912 367.007 61.4444 -27.8901 30.1654 54.3789 PRESSAVG: 4819800 -23.4186 -24.8299 35.9968 -24.8299 -12.9717 34.8927 35.9968 34.8927 21.0408 GPRESSAVG: 4819800 -23.7693 -23.6704 36.0201 -25.8074 -11.377 36.0767 35.8607 37.1797 19.4305 TIMING: 4819800 CPU: 15049.1, 0.00308504/step Wall: 15049.1, 0.00308504/step, 0.154424 hours remaining, 234.589844 MB of memory in use. ENERGY: 4819800 3981.1627 20386.1520 14465.3929 254.6610 -203290.2763 2635.8606 0.0000 0.0000 52225.4142 -109341.6328 300.1402 -161567.0470 -108971.3360 299.1161 204.3736 232.1983 759714.8110 -5.1165 -5.2386 PRESSURE: 4820000 -7.54246 -216.404 -91.5454 -216.404 196.764 -75.1992 -91.546 -75.1981 143.167 GPRESSURE: 4820000 84.0386 -165.056 -61.1852 -167.554 215.616 -38.1418 -15.5433 -206.278 114.426 PRESSAVG: 4820000 41.4762 -91.7507 27.239 -91.7507 -7.1378 51.5192 27.239 51.5192 7.96997 GPRESSAVG: 4820000 40.3682 -92.5697 26.1928 -91.773 -8.25502 51.0955 27.3563 48.6784 10.0634 TIMING: 4820000 CPU: 15049.8, 0.0030923/step Wall: 15049.8, 0.0030923/step, 0.154615 hours remaining, 234.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4820000 3908.9926 20462.4513 14445.9160 248.1819 -202825.0251 2355.1830 0.0000 0.0000 52078.7319 -109325.5683 299.2972 -161404.3002 -108964.4574 298.9521 110.7963 138.0266 760646.7751 14.1028 14.0589 PRESSURE: 4820200 -208.302 -6.97292 -155.313 -6.97393 -132.372 -65.9072 -155.313 -65.908 -34.4131 GPRESSURE: 4820200 -139.577 -28.991 -123.201 10.8565 -114.277 -57.4016 -170.281 -79.5277 -27.549 PRESSAVG: 4820200 24.2381 -37.7148 6.39254 -37.7149 23.0722 -10.9987 6.39252 -10.9987 7.73656 GPRESSAVG: 4820200 24.8733 -37.9774 6.30549 -38.4301 23.6098 -11.7177 5.80204 -9.42082 6.56094 TIMING: 4820200 CPU: 15050.4, 0.00311003/step Wall: 15050.4, 0.00311003/step, 0.155328 hours remaining, 234.589844 MB of memory in use. ENERGY: 4820200 4022.6575 20602.5828 14424.4735 246.3236 -203397.7365 2678.6377 0.0000 0.0000 52129.6623 -109293.3990 299.5899 -161423.0614 -108929.3140 298.7509 -125.0290 -93.8007 760220.1269 18.3490 18.3480 LDB: ============= START OF LOAD BALANCING ============== 15062.9 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15062.9 LDB: =============== DONE WITH MIGRATION ================ 15062.9 LDB: ============= START OF LOAD BALANCING ============== 15063.2 LDB: Largest compute 7045 load 0.029672 is 15.2% of average load 0.195327 LDB: Average compute 0.004400 is 2.3% of average load 0.195327 LDB: TIME 15063.2 LOAD: AVG 0.195327 MAX 0.217183 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.16 MB LDB: TIME 15063.2 LOAD: AVG 0.195327 MAX 0.217183 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.363 MB LDB: TIME 15063.2 LOAD: AVG 0.195327 MAX 0.217183 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.363 MB LDB: ============== END OF LOAD BALANCING =============== 15063.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15063.2 PRESSURE: 4820400 -169.598 -43.6657 268.907 -43.6655 -361.797 247.072 268.906 247.073 -299.292 GPRESSURE: 4820400 -231.063 81.4977 273.809 -27.77 -292.732 210.793 102.395 119.589 -237.568 PRESSAVG: 4820400 -16.3795 -93.3764 47.6521 -93.3764 25.7765 -40.2739 47.6521 -40.2739 -9.17056 GPRESSAVG: 4820400 -17.1189 -92.7643 48.9972 -89.3158 25.2869 -38.6213 48.6141 -41.2104 -8.43727 TIMING: 4820400 CPU: 15051, 0.00316711/step Wall: 15051, 0.00316711/step, 0.158004 hours remaining, 234.960938 MB of memory in use. ENERGY: 4820400 3962.2967 20408.0185 14453.9905 237.7514 -203307.7697 2746.4766 0.0000 0.0000 52237.3038 -109261.9323 300.2085 -161499.2361 -108881.5339 299.5073 -276.8955 -253.7878 764092.9225 0.0755 -0.0897 PRESSURE: 4820600 98.3009 71.6487 66.809 71.6494 95.1384 -166.204 66.8086 -166.205 26.8125 GPRESSURE: 4820600 91.2094 -0.941144 18.3588 172.864 180.604 -111.506 85.7708 -171.92 41.654 PRESSAVG: 4820600 -68.6563 -56.0966 58.4469 -56.0966 40.2587 40.4466 58.4468 40.4467 -3.28248 GPRESSAVG: 4820600 -69.3252 -55.9348 56.9658 -58.1294 40.8658 38.1323 58.1716 41.3061 -3.66314 TIMING: 4820600 CPU: 15051.6, 0.00310055/step Wall: 15051.6, 0.00310055/step, 0.154511 hours remaining, 235.164062 MB of memory in use. ENERGY: 4820600 4036.6074 20491.6164 14476.9717 256.1929 -203320.0695 2827.1143 0.0000 0.0000 51892.4525 -109339.1144 298.2266 -161231.5668 -108978.1921 299.0264 73.4173 104.4892 763417.1728 -10.5600 -10.7075 PRESSURE: 4820800 -234.951 -92.0136 -41.6253 -92.0132 261.332 6.05982 -41.6251 6.05978 319.48 GPRESSURE: 4820800 -119.024 -170.915 36.2888 -35.4087 236.262 -25.3075 -75.0483 89.6546 334.775 PRESSAVG: 4820800 2.92683 -47.8957 -15.1502 -47.8957 14.4838 11.3166 -15.1501 11.3167 15.2799 GPRESSAVG: 4820800 4.2536 -48.2745 -14.1635 -48.7037 13.5596 13.7516 -14.7827 9.94045 15.3464 TIMING: 4820800 CPU: 15052.3, 0.00309895/step Wall: 15052.3, 0.00309895/step, 0.154259 hours remaining, 235.164062 MB of memory in use. ENERGY: 4820800 3976.5512 20389.4024 14482.2447 243.4187 -203319.8887 2774.1285 0.0000 0.0000 52330.3241 -109123.8191 300.7431 -161454.1432 -108773.2867 299.4032 115.2868 150.6711 762661.8327 10.8968 11.0532 PRESSURE: 4821000 110.935 202.256 -96.1662 202.256 -14.7637 167.293 -96.1667 167.293 -266.343 GPRESSURE: 4821000 74.3848 156.903 -62.5393 131.353 53.1906 196.943 -90.3349 101.355 -219.395 PRESSAVG: 4821000 -3.11976 0.461117 1.56196 0.461239 2.34953 10.5646 1.56195 10.5645 4.06193 GPRESSAVG: 4821000 -5.02325 0.669322 2.33408 0.680339 3.01395 8.78002 -0.687085 11.1926 5.01722 TIMING: 4821000 CPU: 15052.9, 0.00309078/step Wall: 15052.9, 0.00309078/step, 0.153681 hours remaining, 235.164062 MB of memory in use. ENERGY: 4821000 3927.8108 20521.7500 14538.8302 254.5617 -203285.7636 2838.8695 0.0000 0.0000 52095.6418 -109108.2996 299.3944 -161203.9414 -108754.7239 299.4084 -56.7240 -30.6067 763711.4479 1.0972 1.0026 PRESSURE: 4821200 69.9859 -236.878 70.9148 -236.879 -401.337 -391.346 70.9151 -391.346 371.53 GPRESSURE: 4821200 93.6911 -339.774 133.529 -260 -353.93 -321.971 114.731 -324.862 388.608 PRESSAVG: 4821200 38.5122 38.6965 -26.4421 38.6965 -5.50066 -16.4125 -26.4421 -16.4125 20.2358 GPRESSAVG: 4821200 38.7551 40.4956 -26.9817 38.3303 -6.58595 -15.704 -23.6633 -16.0536 20.307 TIMING: 4821200 CPU: 15053.5, 0.0030839/step Wall: 15053.5, 0.0030839/step, 0.153167 hours remaining, 235.164062 MB of memory in use. ENERGY: 4821200 4023.8196 20639.0646 14390.3025 233.4266 -202865.2231 2283.1783 0.0000 0.0000 52230.3906 -109065.0408 300.1688 -161295.4314 -108706.1290 299.7380 13.3928 42.7900 762056.4290 17.7491 17.4921 PRESSURE: 4821400 -249.097 -88.7161 40.0475 -88.7167 113.681 -99.2541 40.0464 -99.2565 53.9392 GPRESSURE: 4821400 -282.447 -17.0325 24.7744 101.194 219.433 -50.1159 10.0561 -98.7213 48.5755 PRESSAVG: 4821400 -32.1223 18.9613 -55.3228 18.9613 3.15707 -12.8967 -55.3228 -12.8968 -8.04029 GPRESSAVG: 4821400 -32.202 17.3102 -56.3405 20.5876 3.28994 -12.4123 -57.0898 -12.8148 -8.15144 TIMING: 4821400 CPU: 15054.1, 0.00309006/step Wall: 15054.1, 0.00309006/step, 0.153301 hours remaining, 235.234375 MB of memory in use. ENERGY: 4821400 4023.7731 20579.7234 14463.9361 276.9352 -203276.6815 2772.2596 0.0000 0.0000 52006.4467 -109153.6075 298.8818 -161160.0541 -108788.1213 299.1471 -27.1590 -4.8128 762606.6615 -12.3352 -12.3545 PRESSURE: 4821600 -145.34 -148.207 11.7785 -148.207 -19.7631 57.2168 11.7783 57.2162 -279.18 GPRESSURE: 4821600 -83.3987 -5.29239 -7.3858 -37.6604 -126.137 62.6986 24.1905 8.10832 -177.255 PRESSAVG: 4821600 -39.2665 15.6408 -30.0403 15.6408 41.1403 6.80009 -30.0403 6.8001 -16.5028 GPRESSAVG: 4821600 -38.9001 15.5786 -29.1711 14.1486 41.2852 4.48046 -29.035 8.70114 -16.8662 TIMING: 4821600 CPU: 15054.7, 0.00310213/step Wall: 15054.7, 0.00310213/step, 0.153728 hours remaining, 235.437500 MB of memory in use. ENERGY: 4821600 4044.7033 20800.4640 14387.3132 253.3990 -203233.6481 2528.4075 0.0000 0.0000 52165.4432 -109053.9179 299.7955 -161219.3611 -108686.9963 299.2544 -148.0943 -128.9303 763802.2019 -4.8763 -4.8271 PRESSURE: 4821800 -378.92 -123.972 4.06553 -123.971 -117.524 112.239 4.06516 112.238 -56.9025 GPRESSURE: 4821800 -280.099 -62.2052 61.4581 -84.7365 -76.1284 67.9179 -10.4052 39.4588 -89.5817 PRESSAVG: 4821800 -20.7357 -18.406 22.2576 -18.406 7.36822 1.54683 22.2576 1.54681 32.8848 GPRESSAVG: 4821800 -21.5678 -17.3348 22.654 -18.227 8.88144 1.91535 21.9254 0.184326 33.1373 TIMING: 4821800 CPU: 15055.4, 0.00311234/step Wall: 15055.4, 0.00311234/step, 0.154061 hours remaining, 235.437500 MB of memory in use. ENERGY: 4821800 4081.6859 20535.0615 14452.5208 238.4003 -203589.7446 2704.8356 0.0000 0.0000 52490.8160 -109086.4244 301.6654 -161577.2404 -108720.0323 299.9031 -184.4489 -148.6030 762456.7626 6.5058 6.8170 PRESSURE: 4822000 -129.653 90.9922 115.499 90.9917 -279.205 108.645 115.498 108.645 151.571 GPRESSURE: 4822000 -99.7685 107.234 75.1069 87.8314 -221.457 117.247 130.721 103.731 171.915 PRESSAVG: 4822000 24.3138 -31.1527 -11.8645 -31.1527 -21.951 44.8014 -11.8645 44.8015 -12.9541 GPRESSAVG: 4822000 25.4737 -30.9137 -11.7657 -31.6799 -23.0542 46.9362 -11.6882 45.1308 -13.5079 TIMING: 4822000 CPU: 15056, 0.00309346/step Wall: 15056, 0.00309346/step, 0.152954 hours remaining, 235.437500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4822000 4049.2717 20573.6405 14460.6648 251.4819 -203552.5504 2892.4815 0.0000 0.0000 52080.4236 -109244.5865 299.3069 -161325.0101 -108884.9352 299.5761 -85.7627 -49.7704 762329.0710 -3.5304 -3.6961 PRESSURE: 4822200 -130.803 53.3964 232.61 53.3974 -376.931 47.011 232.609 47.0111 50.0147 GPRESSURE: 4822200 -130.396 9.31854 262.951 -0.439592 -345.843 61.5207 211.608 33.1452 95.7528 PRESSAVG: 4822200 3.25133 -11.8377 38.0053 -11.8376 8.24229 -26.1009 38.0053 -26.101 16.0774 GPRESSAVG: 4822200 2.86827 -13.0156 36.9195 -11.6582 8.26009 -27.6213 37.47 -26.7516 16.4592 TIMING: 4822200 CPU: 15056.6, 0.00308831/step Wall: 15056.6, 0.00308831/step, 0.152528 hours remaining, 235.437500 MB of memory in use. ENERGY: 4822200 3999.7163 20642.0756 14508.0732 242.7363 -203527.9373 2784.1554 0.0000 0.0000 52123.4335 -109227.7470 299.5541 -161351.1806 -108863.4767 299.2890 -152.5732 -126.8289 761437.1610 9.1903 9.1959 PRESSURE: 4822400 -242.423 115.74 -81.9105 115.74 -254.118 -110.517 -81.911 -110.517 10.1722 GPRESSURE: 4822400 -200.654 114.089 -28.0364 229.628 -240.795 -59.9543 -158.651 -141.079 20.1094 PRESSAVG: 4822400 67.2289 -19.9675 -22.3051 -19.9675 -58.994 0.127876 -22.3052 0.127841 4.07068 GPRESSAVG: 4822400 67.9443 -18.7674 -22.7847 -19.7175 -58.8304 1.88811 -21.3122 1.13133 2.7044 TIMING: 4822400 CPU: 15057.2, 0.00309738/step Wall: 15057.2, 0.00309738/step, 0.152804 hours remaining, 235.437500 MB of memory in use. ENERGY: 4822400 4038.3636 20694.1503 14439.8232 271.1174 -203326.0630 2580.6369 0.0000 0.0000 52091.1610 -109210.8107 299.3686 -161301.9717 -108847.6124 299.4695 -162.1232 -140.4466 763009.2624 4.1019 3.9394 PRESSURE: 4822600 -182.05 2.46086 77.1606 2.46125 265.788 14.5672 77.1591 14.5672 -102.409 GPRESSURE: 4822600 -163.061 10.9705 148.752 -33.0978 311.234 -10.9218 133.032 -95.2352 -95.495 PRESSAVG: 4822600 -20.1244 35.283 12.0708 35.2831 8.48159 -65.5163 12.0708 -65.5164 -10.4093 GPRESSAVG: 4822600 -20.9919 35.4538 12.6217 34.6741 8.39975 -67.1439 13.0399 -67.164 -9.95788 TIMING: 4822600 CPU: 15057.8, 0.00309056/step Wall: 15057.8, 0.00309056/step, 0.152296 hours remaining, 235.437500 MB of memory in use. ENERGY: 4822600 4011.7330 20669.6718 14417.0640 216.9127 -203243.9124 2607.4416 0.0000 0.0000 51957.4599 -109363.6295 298.6002 -161321.0894 -109002.5853 299.2740 -6.2237 17.5593 761584.1060 -7.3507 -7.5167 PRESSURE: 4822800 -6.79824 91.0717 -217.171 91.0713 -208.265 -42.3396 -217.17 -42.3393 234.599 GPRESSURE: 4822800 64.2331 35.7101 -210.769 181.047 -144.532 7.0437 -239.229 -9.16972 179.813 PRESSAVG: 4822800 -26.2461 -33.4601 16.5183 -33.4601 -1.19337 -40.6964 16.5183 -40.6964 11.4882 GPRESSAVG: 4822800 -26.4379 -34.02 17.0368 -33.9181 -1.12685 -39.6644 14.382 -39.3997 11.4255 TIMING: 4822800 CPU: 15058.4, 0.00310381/step Wall: 15058.4, 0.00310381/step, 0.152776 hours remaining, 235.437500 MB of memory in use. ENERGY: 4822800 3929.9724 20597.0629 14402.5841 263.6160 -203339.7352 2680.9938 0.0000 0.0000 52034.0474 -109431.4585 299.0404 -161465.5060 -109067.6629 299.0746 6.5120 33.1712 760813.8633 -5.3171 -5.3798 PRESSURE: 4823000 -110.735 -108.215 191.691 -108.216 -58.633 324.836 191.69 324.837 231.715 GPRESSURE: 4823000 -133.026 -70.6679 151.119 -151.872 75.9143 321.991 80.161 189.08 187.654 PRESSAVG: 4823000 -24.6858 -51.0567 -8.42716 -51.0566 15.4305 23.4317 -8.42715 23.4317 44.905 GPRESSAVG: 4823000 -24.9894 -51.5018 -7.90146 -51.0428 15.3054 23.6932 -7.93536 21.2107 45.1537 TIMING: 4823000 CPU: 15059.1, 0.0031011/step Wall: 15059.1, 0.0031011/step, 0.152471 hours remaining, 235.437500 MB of memory in use. ENERGY: 4823000 4005.3258 20509.6357 14410.9327 258.0892 -203515.8861 2913.2712 0.0000 0.0000 51934.3403 -109484.2912 298.4674 -161418.6315 -109110.8714 298.8959 20.7821 43.5139 762232.9268 11.8832 11.8232 PRESSURE: 4823200 -206.983 35.0676 -57.7714 35.0674 -56.1637 144.283 -57.7722 144.284 194.39 GPRESSURE: 4823200 -183.39 -85.6528 72.9292 48.047 -28.4001 171.903 24.1858 138.764 217.612 PRESSAVG: 4823200 25.6321 29.3874 3.25777 29.3874 -29.1407 17.7361 3.25774 17.7362 -21.0469 GPRESSAVG: 4823200 25.2989 28.3137 3.03882 30.178 -27.9163 15.5992 1.89826 19.6536 -21.7183 TIMING: 4823200 CPU: 15059.7, 0.00309426/step Wall: 15059.7, 0.00309426/step, 0.151962 hours remaining, 235.437500 MB of memory in use. ENERGY: 4823200 4005.6658 20522.8219 14500.3317 237.8520 -203097.2607 2667.5797 0.0000 0.0000 51879.6168 -109283.3927 298.1529 -161163.0095 -108923.4714 299.0928 -22.9191 1.9407 761629.7938 -8.1852 -8.1119 PRESSURE: 4823400 -98.4961 6.7619 84.7406 6.76228 -156.307 12.7102 84.7409 12.7106 -101.522 GPRESSURE: 4823400 21.3877 -45.6406 -55.6013 -45.725 -190.111 -47.6618 -10.6158 18.076 -94.2422 PRESSAVG: 4823400 50.3934 -32.7986 -37.5924 -32.7986 -60.9188 59.088 -37.5924 59.088 -1.13843 GPRESSAVG: 4823400 51.803 -32.5644 -37.6779 -35.3583 -63.3975 61.5273 -36.2066 57.8048 -0.0590744 TIMING: 4823400 CPU: 15060.3, 0.00308511/step Wall: 15060.3, 0.00308511/step, 0.151342 hours remaining, 235.425781 MB of memory in use. ENERGY: 4823400 4096.3150 20479.4627 14446.0496 244.5560 -202936.1266 2487.9062 0.0000 0.0000 51883.4601 -109298.3771 298.1750 -161181.8372 -108942.4665 299.0115 -118.7749 -87.6550 762034.1797 -3.8879 -3.8846 PRESSURE: 4823600 -315.06 78.5369 -173.204 78.537 123.131 115.466 -173.204 115.465 -179.247 GPRESSURE: 4823600 -246.305 48.8012 -184.958 40.046 125.894 111.296 -377.757 93.0336 -167.376 PRESSAVG: 4823600 25.5765 18.4394 -15.6226 18.4394 -5.96993 5.5832 -15.6228 5.58323 5.01038 GPRESSAVG: 4823600 24.7104 19.9945 -16.3785 19.5744 -5.31866 3.67429 -14.3726 6.68903 5.30456 TIMING: 4823600 CPU: 15060.9, 0.00308485/step Wall: 15060.9, 0.00308485/step, 0.151158 hours remaining, 235.437500 MB of memory in use. ENERGY: 4823600 3980.5712 20447.7944 14470.3840 241.1595 -203134.7794 2507.4179 0.0000 0.0000 52112.3313 -109375.1210 299.4903 -161487.4523 -109012.2055 299.2257 -123.7254 -95.9289 761359.7755 8.2056 8.2321 PRESSURE: 4823800 -238.914 172.127 138.67 172.125 -457.561 -1.74041 138.67 -1.7387 -206.374 GPRESSURE: 4823800 -203.839 163.627 271.44 191.729 -416.067 -26.9676 23.5729 139.683 -190.678 PRESSAVG: 4823800 -65.2911 50.6053 -10.6266 50.6052 34.7243 40.4068 -10.6267 40.4068 10.9672 GPRESSAVG: 4823800 -65.3818 49.8683 -9.49776 52.8431 34.3127 41.8747 -12.1366 40.8322 10.9273 TIMING: 4823800 CPU: 15061.5, 0.0031059/step Wall: 15061.5, 0.0031059/step, 0.152016 hours remaining, 235.437500 MB of memory in use. ENERGY: 4823800 3966.6260 20503.1700 14421.4017 252.1200 -202845.6837 2402.0983 0.0000 0.0000 51994.3837 -109305.8839 298.8124 -161300.2676 -108937.6919 298.8799 -300.9497 -270.1945 762526.3966 -6.5332 -6.7139 PRESSURE: 4824000 -55.7627 -44.7584 208.749 -44.7584 -42.0555 -71.8968 208.749 -71.896 -150.903 GPRESSURE: 4824000 4.25206 -149.866 211.18 -68.6329 67.1108 -15.4406 -16.5391 7.20387 -216.795 PRESSAVG: 4824000 -1.24847 43.8677 -1.51576 43.8678 -23.8575 34.044 -1.5158 34.044 18.8531 GPRESSAVG: 4824000 -0.358304 43.2323 -3.19111 44.1814 -23.4318 32.8685 0.803985 32.7685 17.7654 TIMING: 4824000 CPU: 15062.2, 0.00310241/step Wall: 15062.2, 0.00310241/step, 0.151673 hours remaining, 235.437500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4824000 3955.9030 20531.4966 14380.9258 244.1943 -203268.8408 2617.3644 0.0000 0.0000 52257.1134 -109281.8432 300.3223 -161538.9567 -108909.5705 299.3256 -82.9070 -48.4773 762781.6659 -2.0843 -2.0082 PRESSURE: 4824200 275.947 23.1638 -142.513 23.164 132.097 60.8608 -142.513 60.8595 -390.575 GPRESSURE: 4824200 198.755 35.5442 -7.61608 0.189022 174.026 -28.667 -208.394 131.612 -274.116 PRESSAVG: 4824200 -16.8183 -39.0857 -0.693908 -39.0858 47.4799 4.4342 -0.693894 4.43417 -36.7707 GPRESSAVG: 4824200 -19.2059 -38.5868 1.12796 -40.3565 50.0385 4.16641 -3.93461 7.1475 -36.683 TIMING: 4824200 CPU: 15062.8, 0.0031088/step Wall: 15062.8, 0.0031088/step, 0.151813 hours remaining, 235.437500 MB of memory in use. ENERGY: 4824200 4033.2484 20509.2336 14410.5098 249.2575 -203205.9844 2631.6330 0.0000 0.0000 52089.5130 -109282.5891 299.3591 -161372.1020 -108928.9225 299.5358 5.8232 32.8885 762346.5104 -2.0364 -1.9501 LDB: ============= START OF LOAD BALANCING ============== 15075.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15075.3 LDB: =============== DONE WITH MIGRATION ================ 15075.3 LDB: ============= START OF LOAD BALANCING ============== 15075.6 LDB: Largest compute 7027 load 0.030396 is 15.6% of average load 0.195200 LDB: Average compute 0.004395 is 2.3% of average load 0.195200 LDB: TIME 15075.6 LOAD: AVG 0.1952 MAX 0.218226 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.93 MB LDB: TIME 15075.6 LOAD: AVG 0.1952 MAX 0.218226 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.93 MB LDB: TIME 15075.6 LOAD: AVG 0.1952 MAX 0.214696 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.93 MB LDB: ============== END OF LOAD BALANCING =============== 15075.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15075.6 PRESSURE: 4824400 149.572 -2.64717 -91.2703 -2.64669 175.148 -191.033 -91.2709 -191.034 -175.75 GPRESSURE: 4824400 196.249 -49.8255 -73.2362 -85.6557 137.986 -78.3632 -57.6842 -235.381 -137.033 PRESSAVG: 4824400 -26.8145 -10.1355 -27.7186 -10.1355 40.5078 28.1016 -27.7186 28.1016 26.8235 GPRESSAVG: 4824400 -25.7618 -9.61365 -28.004 -9.32196 38.5373 30.6745 -27.698 25.4971 28.1772 TIMING: 4824400 CPU: 15063.4, 0.00320318/step Wall: 15063.4, 0.00320318/step, 0.156244 hours remaining, 234.773438 MB of memory in use. ENERGY: 4824400 4038.6762 20556.4425 14434.4180 255.7171 -203359.7143 2849.4979 0.0000 0.0000 51866.4510 -109358.5115 298.0772 -161224.9625 -109001.2992 299.4327 49.6564 65.7342 761529.0811 13.5056 13.6509 PRESSURE: 4824600 -193.789 282.318 -117.701 282.317 -38.8256 166.541 -117.7 166.541 -59.8593 GPRESSURE: 4824600 -126.378 206.122 -71.1176 187.692 1.40886 145.43 -88.9152 189.356 -68.9271 PRESSAVG: 4824600 -23.8783 10.8567 -28.7408 10.8567 27.919 43.1643 -28.7408 43.1643 0.616833 GPRESSAVG: 4824600 -23.1983 11.0531 -29.426 9.75974 28.2799 42.28 -28.9706 42.7901 -0.30236 TIMING: 4824600 CPU: 15064, 0.00310212/step Wall: 15064, 0.00310212/step, 0.151142 hours remaining, 235.089844 MB of memory in use. ENERGY: 4824600 3980.6292 20544.2578 14438.0119 259.3310 -203110.1345 2515.0813 0.0000 0.0000 52216.1622 -109156.6611 300.0870 -161372.8233 -108798.8251 299.5257 -97.4913 -64.6319 761748.8520 1.5525 1.5930 PRESSURE: 4824800 92.5973 30.4343 -63.7938 30.435 -204.5 -128.874 -63.7937 -128.872 291.344 GPRESSURE: 4824800 62.6296 6.58446 -112.258 104.809 -90.5669 -135.771 -22.6441 -44.4365 306.764 PRESSAVG: 4824800 -58.4002 -8.0595 16.9419 -8.05945 28.522 36.2718 16.9419 36.2717 11.1849 GPRESSAVG: 4824800 -58.4627 -7.93802 17.9815 -7.35149 29.2797 36.3891 17.7724 37.2727 10.838 TIMING: 4824800 CPU: 15064.7, 0.00309841/step Wall: 15064.7, 0.00309841/step, 0.15079 hours remaining, 235.089844 MB of memory in use. ENERGY: 4824800 3989.1790 20495.5424 14379.9838 236.7845 -202980.6756 2696.4603 0.0000 0.0000 52084.2342 -109098.4911 299.3288 -161182.7254 -108727.0650 300.2822 59.8137 92.9421 762334.2568 -6.2311 -6.1150 PRESSURE: 4825000 111.715 166.329 -17.6308 166.329 -81.2669 -148.576 -17.6306 -148.577 178.048 GPRESSURE: 4825000 218.701 71.8439 -8.47454 68.7746 -125.596 -134.221 63.7216 -189.315 200.161 PRESSAVG: 4825000 63.7833 -5.28246 -31.1577 -5.28241 8.23412 -37.3908 -31.1577 -37.3908 -2.50378 GPRESSAVG: 4825000 64.8005 -6.17393 -31.5307 -4.16041 6.38921 -38.1231 -31.8263 -35.7903 -1.95955 TIMING: 4825000 CPU: 15065.3, 0.00309448/step Wall: 15065.3, 0.00309448/step, 0.150426 hours remaining, 235.089844 MB of memory in use. ENERGY: 4825000 4059.5383 20589.0112 14395.0387 256.6840 -203322.7310 2670.4919 0.0000 0.0000 51965.2162 -109386.7509 298.6448 -161351.9670 -109024.7029 299.6021 69.4988 97.7553 761755.1797 23.1712 23.0767 PRESSURE: 4825200 254.628 -120.384 60.6357 -120.384 -367.079 83.6004 60.6357 83.5996 -193.823 GPRESSURE: 4825200 265.867 -158.233 63.5909 -85.1874 -295.217 31.8948 68.9432 46.4352 -181.389 PRESSAVG: 4825200 -10.8943 45.9565 -13.9585 45.9565 -7.36199 32.777 -13.9586 32.777 11.2075 GPRESSAVG: 4825200 -13.5789 46.3987 -13.6871 44.1275 -6.23994 33.6276 -13.5012 31.7336 12.5471 TIMING: 4825200 CPU: 15065.9, 0.00309036/step Wall: 15065.9, 0.00309036/step, 0.150054 hours remaining, 235.101562 MB of memory in use. ENERGY: 4825200 4089.0699 20494.9231 14377.8334 240.1118 -203476.2085 2890.8323 0.0000 0.0000 52070.4489 -109312.9891 299.2496 -161383.4379 -108946.9127 299.1643 -102.0911 -70.2464 762783.8006 -2.3496 -2.4239 PRESSURE: 4825400 17.1868 -61.619 -107.546 -61.6181 348.853 61.5013 -107.545 61.5011 38.0085 GPRESSURE: 4825400 97.3877 11.6651 -99.47 -74.1772 354.66 42.8331 24.403 196.905 39.2356 PRESSAVG: 4825400 -49.7307 58.0967 -19.384 58.0966 5.3626 49.1203 -19.3839 49.1203 -6.69479 GPRESSAVG: 4825400 -47.336 58.8083 -17.815 58.3552 4.5426 47.3537 -20.316 51.0934 -7.71552 TIMING: 4825400 CPU: 15066.5, 0.00310073/step Wall: 15066.5, 0.00310073/step, 0.150385 hours remaining, 235.101562 MB of memory in use. ENERGY: 4825400 3983.2041 20538.5367 14432.9356 238.9406 -203305.9797 2876.5067 0.0000 0.0000 51955.9512 -109279.9047 298.5916 -161235.8560 -108920.1110 299.1664 134.6827 163.7611 761283.5534 -17.0210 -16.8363 PRESSURE: 4825600 -11.2749 -160.687 136.679 -160.688 -41.1572 295.864 136.679 295.864 -103.853 GPRESSURE: 4825600 -12.456 -103.707 79.2854 -60.1476 -55.4418 217.683 250.402 173.837 -3.23222 PRESSAVG: 4825600 3.34876 -12.4982 44.0163 -12.4981 47.7678 10.9727 44.0163 10.9727 24.7548 GPRESSAVG: 4825600 3.23697 -11.5214 41.1947 -11.1552 47.6128 10.627 44.6292 10.8347 24.8506 TIMING: 4825600 CPU: 15067.1, 0.00308031/step Wall: 15067.1, 0.00308031/step, 0.149224 hours remaining, 235.101562 MB of memory in use. ENERGY: 4825600 3947.8221 20534.0639 14406.6750 262.0893 -203429.9258 2691.7216 0.0000 0.0000 51967.0860 -109620.4680 298.6556 -161587.5540 -109254.1079 298.9480 -52.0952 -23.7100 762502.2632 25.2905 25.2334 PRESSURE: 4825800 110.366 -29.3901 -249.007 -29.3894 150.937 -394.346 -249.008 -394.346 73.1882 GPRESSURE: 4825800 150.288 -18.8015 -150.481 -18.9469 212.178 -333.472 -107.02 -217.985 50.1504 PRESSAVG: 4825800 -21.1764 -20.9551 -0.981277 -20.9551 7.59652 -33.7644 -0.981212 -33.7644 14.4018 GPRESSAVG: 4825800 -20.3877 -22.8344 0.146436 -20.6253 8.56787 -33.0534 0.113014 -34.7359 13.6382 TIMING: 4825800 CPU: 15067.8, 0.00307299/step Wall: 15067.8, 0.00307299/step, 0.148698 hours remaining, 235.101562 MB of memory in use. ENERGY: 4825800 3877.7813 20411.7489 14428.1733 257.8859 -203561.1585 2787.3364 0.0000 0.0000 52138.2312 -109660.0014 299.6391 -161798.2326 -109278.1925 298.9816 111.4971 137.5389 762301.8494 0.2740 0.6061 PRESSURE: 4826000 -418.358 3.19501 86.4641 3.19439 -109.607 188.264 86.4634 188.264 -228.722 GPRESSURE: 4826000 -427.988 -11.9197 132.327 24.4018 -51.876 110.015 121.915 120.617 -188.346 PRESSAVG: 4826000 2.80275 -24.6269 8.07805 -24.627 -24.2146 38.8853 8.07799 38.8853 -1.49428 GPRESSAVG: 4826000 2.48726 -22.0879 6.62308 -26.4058 -23.5293 40.4803 6.45816 35.6388 -2.06267 TIMING: 4826000 CPU: 15068.4, 0.00309314/step Wall: 15068.4, 0.00309314/step, 0.149502 hours remaining, 235.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4826000 3994.8523 20450.1852 14476.9230 245.0466 -202771.7561 2402.2280 0.0000 0.0000 51905.4521 -109297.0690 298.3013 -161202.5211 -108943.7318 298.9843 -252.2292 -222.7369 763965.7508 -7.6354 -7.7016 PRESSURE: 4826200 259.485 -20.6286 36.5799 -20.6293 61.8248 -70.818 36.5794 -70.8172 320.829 GPRESSURE: 4826200 370.79 -7.75569 59.9268 -54.4234 77.2158 -114.887 21.2596 -2.59065 277.79 PRESSAVG: 4826200 2.96039 -44.1903 43.6177 -44.1902 6.64702 47.117 43.6177 47.1171 -17.4079 GPRESSAVG: 4826200 2.85631 -46.2824 45.0462 -43.5727 5.64649 47.5357 42.9694 50.2671 -16.0426 TIMING: 4826200 CPU: 15069, 0.00308274/step Wall: 15069, 0.00308274/step, 0.148828 hours remaining, 235.101562 MB of memory in use. ENERGY: 4826200 3973.5835 20533.6167 14391.6491 248.0382 -203358.4120 2775.1326 0.0000 0.0000 51917.2435 -109519.1485 298.3691 -161436.3920 -109163.7479 298.5031 214.0462 241.9320 762257.5401 -2.6002 -2.5133 PRESSURE: 4826400 122.891 -13.8256 298.78 -13.8262 12.9198 82.4336 298.78 82.4332 203.393 GPRESSURE: 4826400 185.409 0.345446 353.369 -8.81036 63.2588 29.2105 410.514 72.4605 183.67 PRESSAVG: 4826400 -44.1515 -48.1316 1.47323 -48.1316 3.80133 45.958 1.47323 45.958 9.96954 GPRESSAVG: 4826400 -43.6921 -48.8671 1.79375 -46.9363 5.00202 44.8764 4.14432 46.7448 8.46368 TIMING: 4826400 CPU: 15069.6, 0.00309473/step Wall: 15069.6, 0.00309473/step, 0.149235 hours remaining, 235.101562 MB of memory in use. ENERGY: 4826400 4004.7599 20662.9843 14426.0814 224.8447 -203443.6458 2911.0323 0.0000 0.0000 52003.9243 -109210.0188 298.8673 -161213.9431 -108850.4272 298.7136 113.0681 144.1124 761330.1153 -10.1269 -10.0755 PRESSURE: 4826600 -183.532 170.736 113.663 170.737 -261.558 133.205 113.664 133.206 -269.801 GPRESSURE: 4826600 -242.054 166.309 181.147 112.957 -245.964 147.017 65.2085 160.835 -164.083 PRESSAVG: 4826600 42.718 -32.0979 38.1877 -32.0978 -53.0159 27.4933 38.1877 27.4933 -2.07866 GPRESSAVG: 4826600 42.5799 -32.9938 37.581 -32.8618 -54.1489 26.7563 37.5111 25.0956 -1.47984 TIMING: 4826600 CPU: 15070.2, 0.00309167/step Wall: 15070.2, 0.00309167/step, 0.148916 hours remaining, 235.304688 MB of memory in use. ENERGY: 4826600 3987.5062 20678.8263 14440.0381 242.7016 -202816.7922 2473.4642 0.0000 0.0000 52009.5223 -108984.7335 298.8994 -160994.2557 -108633.0993 299.6606 -238.2970 -217.3669 762049.4054 -4.1255 -4.3496 PRESSURE: 4826800 -264.011 -17.7166 15.3246 -17.7164 -321.549 -245.015 15.325 -245.014 -371.677 GPRESSURE: 4826800 -254.307 2.00837 90.8476 -82.229 -294.289 -202.649 172.124 -210.27 -341.699 PRESSAVG: 4826800 4.34187 -63.6201 12.8441 -63.6201 -4.38027 -1.15469 12.8441 -1.15465 -13.6359 GPRESSAVG: 4826800 4.27764 -61.6277 13.6276 -64.3252 -4.53028 0.2556 12.6991 -1.95914 -13.4463 TIMING: 4826800 CPU: 15070.8, 0.00310016/step Wall: 15070.8, 0.00310016/step, 0.149152 hours remaining, 235.304688 MB of memory in use. ENERGY: 4826800 4040.3089 20538.4337 14383.2818 261.8615 -202372.5951 2178.4541 0.0000 0.0000 52148.3418 -108821.9132 299.6972 -160970.2550 -108461.7869 300.0617 -319.0789 -296.7652 763665.6209 -4.5581 -4.5663 PRESSURE: 4827000 -73.8783 216.186 167.607 216.186 -392.185 -79.4231 167.608 -79.4225 208.094 GPRESSURE: 4827000 -47.2446 127.106 161.338 218.086 -423.831 -56.0233 97.9482 -34.2859 298.872 PRESSAVG: 4827000 -43.1086 -39.8379 26.677 -39.8378 13.1049 23.4359 26.6769 23.4358 16.4503 GPRESSAVG: 4827000 -44.0113 -40.151 25.9623 -39.8178 14.1119 23.8778 26.4812 27.655 16.7293 TIMING: 4827000 CPU: 15071.5, 0.00308406/step Wall: 15071.5, 0.00308406/step, 0.148206 hours remaining, 235.304688 MB of memory in use. ENERGY: 4827000 3930.8721 20637.0481 14441.3805 240.9434 -203036.6262 2649.2191 0.0000 0.0000 52357.8763 -108779.2867 300.9014 -161137.1631 -108415.2672 300.4050 -85.9897 -57.4010 763017.0154 -4.5178 -4.3900 PRESSURE: 4827200 -56.4898 -253.526 162.725 -253.525 139.685 241.028 162.725 241.027 -9.63413 GPRESSURE: 4827200 -23.3069 -349.387 102.414 -156.71 155.221 218.631 132.25 279.049 21.2404 PRESSAVG: 4827200 47.3261 -33.5269 -1.08416 -33.5269 -6.68075 32.3864 -1.08418 32.3864 -32.2215 GPRESSAVG: 4827200 48.5264 -36.159 -1.04657 -32.7724 -8.71379 32.3492 -2.32818 29.9337 -31.47 TIMING: 4827200 CPU: 15072.1, 0.00309927/step Wall: 15072.1, 0.00309927/step, 0.148765 hours remaining, 235.304688 MB of memory in use. ENERGY: 4827200 4023.2251 20380.7415 14439.6823 269.8493 -203114.1717 2786.6635 0.0000 0.0000 52284.4545 -108929.5555 300.4795 -161214.0100 -108555.6656 300.3544 24.5205 51.0516 761548.8512 2.8080 2.7809 PRESSURE: 4827400 -359.9 -156.724 -9.7704 -156.724 209.244 -22.7321 -9.77024 -22.7324 -281.572 GPRESSURE: 4827400 -243.65 -138.567 -40.5434 -152.093 186.071 -55.7723 4.04454 7.83063 -276.162 PRESSAVG: 4827400 -53.817 -65.1931 -42.8155 -65.1931 43.9868 20.4623 -42.8155 20.4623 33.1855 GPRESSAVG: 4827400 -54.4238 -64.8045 -42.6127 -64.7874 45.0812 21.3489 -42.5261 21.0404 32.7989 TIMING: 4827400 CPU: 15072.7, 0.00310238/step Wall: 15072.7, 0.00310238/step, 0.148742 hours remaining, 235.304688 MB of memory in use. ENERGY: 4827400 4031.4507 20553.0520 14466.3771 251.2598 -203129.7763 2806.0534 0.0000 0.0000 52279.8965 -108741.6868 300.4533 -161021.5833 -108378.4340 300.2163 -144.0762 -111.2470 763838.2389 7.7851 7.8188 PRESSURE: 4827600 -308.166 -237.588 123.448 -237.587 18.7284 -6.48688 123.448 -6.48726 49.1109 GPRESSURE: 4827600 -299.635 -127.524 138.69 -307.994 85.5229 25.3586 6.72703 -53.5435 75.5068 PRESSAVG: 4827600 -27.4811 -53.7428 -48.7686 -53.7428 15.7778 -13.1405 -48.7686 -13.1405 -22.8131 GPRESSAVG: 4827600 -28.6034 -52.2185 -49.4689 -55.249 17.0734 -14.3638 -50.1666 -13.4295 -22.9353 TIMING: 4827600 CPU: 15073.3, 0.00310167/step Wall: 15073.3, 0.00310167/step, 0.148536 hours remaining, 235.304688 MB of memory in use. ENERGY: 4827600 3916.0979 20509.3301 14412.1437 257.3320 -202895.6830 2577.3097 0.0000 0.0000 52155.5356 -109067.9342 299.7386 -161223.4697 -108704.1181 299.6204 -80.1088 -46.2017 763660.6165 -11.5055 -11.4884 PRESSURE: 4827800 204.967 15.8113 167.285 15.8113 -109.937 -325.277 167.285 -325.277 511.423 GPRESSURE: 4827800 193.862 -52.5988 227.308 152.26 -18.5873 -280.444 -19.2449 -246.676 496.85 PRESSAVG: 4827800 -25.7541 -35.6071 69.2625 -35.6071 -5.61762 -19.9308 69.2626 -19.9307 22.6755 GPRESSAVG: 4827800 -25.8736 -38.6764 70.5792 -32.3277 -6.33458 -19.5511 70.4087 -20.3936 23.2354 TIMING: 4827800 CPU: 15073.9, 0.00310118/step Wall: 15073.9, 0.00310118/step, 0.14834 hours remaining, 235.304688 MB of memory in use. ENERGY: 4827800 4006.3425 20703.1277 14436.3222 246.6970 -203322.1332 2820.5885 0.0000 0.0000 52538.5460 -108570.5093 301.9397 -161109.0553 -108214.7900 300.5020 202.1508 224.0415 762618.5832 -2.8987 -2.9909 PRESSURE: 4828000 -547.947 -63.5703 -60.3364 -63.5707 102.014 61.0966 -60.3357 61.0967 -22.6235 GPRESSURE: 4828000 -416.942 -93.8539 -42.9909 -182.653 88.0394 32.4179 -58.477 119.289 -64.3411 PRESSAVG: 4828000 -2.82129 -34.5237 -43.5771 -34.5237 10.6368 29.5503 -43.5771 29.5504 26.4128 GPRESSAVG: 4828000 -2.21375 -32.9866 -44.7956 -35.7841 10.6147 28.9375 -43.3841 29.8483 25.3016 TIMING: 4828000 CPU: 15074.6, 0.00309774/step Wall: 15074.6, 0.00309775/step, 0.148003 hours remaining, 235.304688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4828000 4094.1532 20579.2300 14436.4317 243.0908 -203230.6060 2795.6698 0.0000 0.0000 52356.5907 -108725.4398 300.8940 -161082.0305 -108364.1777 300.7906 -156.1855 -131.0813 763921.9373 11.4094 11.2342 PRESSURE: 4828200 -317.753 6.78185 3.70187 6.7821 65.4504 200.077 3.70191 200.077 -213.187 GPRESSURE: 4828200 -234.619 64.0282 61.9126 -14.1525 -11.6014 162.489 -0.0629252 128.225 -127.345 PRESSAVG: 4828200 -39.2115 -19.9166 26.6181 -19.9167 4.232 0.79129 26.6181 0.79126 -13.5963 GPRESSAVG: 4828200 -39.8916 -19.1385 27.4399 -20.7487 5.84727 0.60891 24.333 1.54198 -13.0511 TIMING: 4828200 CPU: 15075.2, 0.00310157/step Wall: 15075.2, 0.00310157/step, 0.148014 hours remaining, 235.304688 MB of memory in use. ENERGY: 4828200 4028.7205 20543.5284 14509.9295 251.1957 -203115.6807 2751.1008 0.0000 0.0000 51964.0603 -109067.1454 298.6382 -161031.2057 -108707.7355 299.6930 -155.1630 -124.5218 763810.7959 -16.1919 -15.6985 LDB: ============= START OF LOAD BALANCING ============== 15087.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15087.7 LDB: =============== DONE WITH MIGRATION ================ 15087.7 LDB: ============= START OF LOAD BALANCING ============== 15088 LDB: Largest compute 7028 load 0.030322 is 15.5% of average load 0.195278 LDB: Average compute 0.004379 is 2.2% of average load 0.195278 LDB: TIME 15088 LOAD: AVG 0.195278 MAX 0.211888 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.238 MB LDB: TIME 15088 LOAD: AVG 0.195278 MAX 0.211888 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.242 MB LDB: TIME 15088 LOAD: AVG 0.195278 MAX 0.211888 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.242 MB LDB: ============== END OF LOAD BALANCING =============== 15088 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15088 PRESSURE: 4828400 176.485 221.288 29.8798 221.288 8.39809 -61.803 29.8802 -61.8028 -67.2074 GPRESSURE: 4828400 222.64 178.847 67.8395 195.57 0.0445006 -78.3746 24.1468 1.2534 -1.81846 PRESSAVG: 4828400 51.9693 -25.5667 -8.22235 -25.5667 -13.2127 52.7305 -8.22237 52.7304 7.51893 GPRESSAVG: 4828400 52.8693 -25.5266 -8.07973 -25.259 -14.2638 53.4384 -7.4746 52.6978 8.05515 TIMING: 4828400 CPU: 15075.8, 0.00318215/step Wall: 15075.8, 0.00318215/step, 0.151683 hours remaining, 235.289062 MB of memory in use. ENERGY: 4828400 4012.6980 20419.9347 14425.9504 238.6331 -202905.2227 2660.7830 0.0000 0.0000 52397.1614 -108750.0621 301.1272 -161147.2235 -108377.3972 300.0171 39.2251 73.6221 763566.6200 15.4252 15.5536 PRESSURE: 4828600 -100.403 53.9431 60.0273 53.9435 -286.536 -13.3795 60.0275 -13.3778 -368.05 GPRESSURE: 4828600 -88.1777 57.7789 49.182 89.4182 -259.006 -84.4363 1.60528 19.9072 -354.333 PRESSAVG: 4828600 41.4615 -23.6001 -17.2495 -23.6 -58.4541 -54.3671 -17.2495 -54.3672 -3.58314 GPRESSAVG: 4828600 41.4768 -24.4994 -17.7689 -22.2063 -58.6092 -55.1488 -15.9125 -53.6452 -3.90524 TIMING: 4828600 CPU: 15076.4, 0.00311303/step Wall: 15076.4, 0.00311303/step, 0.148215 hours remaining, 235.355469 MB of memory in use. ENERGY: 4828600 3936.5495 20569.1803 14391.2039 236.1486 -202669.8201 2550.7787 0.0000 0.0000 52198.1743 -108787.7848 299.9836 -160985.9591 -108422.0834 300.0541 -251.6631 -233.8389 764465.4843 -6.8586 -7.0126 PRESSURE: 4828800 -55.8824 82.4552 -19.0509 82.4553 -128.244 -36.7973 -19.0503 -36.7973 -34.3687 GPRESSURE: 4828800 -4.62382 55.0915 -163.974 138.671 -65.2792 -98.2227 68.2388 79.6538 -73.0006 PRESSAVG: 4828800 -9.35081 -12.124 -5.6469 -12.124 -42.3428 -18.3443 -5.64684 -18.3443 13.3468 GPRESSAVG: 4828800 -9.22442 -9.96032 -6.82208 -12.7441 -41.745 -17.8929 -5.93471 -17.9909 12.782 TIMING: 4828800 CPU: 15077.1, 0.00310574/step Wall: 15077.1, 0.00310574/step, 0.147695 hours remaining, 235.355469 MB of memory in use. ENERGY: 4828800 3977.0622 20607.3695 14483.7224 236.2709 -203216.0654 2711.8688 0.0000 0.0000 52239.0918 -108960.6798 300.2188 -161199.7716 -108593.9365 299.7951 -72.8317 -47.6345 763885.6543 -12.7823 -12.7292 PRESSURE: 4829000 181.723 35.1642 74.5444 35.1648 249.044 47.5167 74.5442 47.516 -93.6623 GPRESSURE: 4829000 184.077 -132.916 88.0087 10.6101 243.736 34.1555 -29.7902 -25.22 -10.4936 PRESSAVG: 4829000 3.74464 -46.6409 7.92171 -46.6409 17.2482 20.5224 7.92174 20.5224 4.54651 GPRESSAVG: 4829000 3.83384 -45.9722 10.672 -49.3849 18.6152 20.5786 7.73571 18.4616 3.73965 TIMING: 4829000 CPU: 15077.7, 0.00310363/step Wall: 15077.7, 0.00310363/step, 0.147422 hours remaining, 235.355469 MB of memory in use. ENERGY: 4829000 4002.6909 20568.5254 14395.6750 248.1933 -202978.2841 2723.6917 0.0000 0.0000 52228.9892 -108810.5185 300.1607 -161039.5077 -108449.5714 299.8278 112.3684 139.1064 763127.4911 8.5131 8.7296 PRESSURE: 4829200 4.81145 37.6155 -89.4179 37.6157 -42.8692 114.129 -89.4176 114.128 149.126 GPRESSURE: 4829200 69.5421 -71.1919 -199.361 88.9193 -12.4785 139.778 -42.1621 230.669 146.571 PRESSAVG: 4829200 53.5764 -28.7645 -35.0289 -28.7645 -64.1618 -42.2552 -35.029 -42.2553 6.36269 GPRESSAVG: 4829200 52.0006 -31.195 -35.5365 -27.247 -64.0328 -42.7946 -35.1352 -41.5691 7.5328 TIMING: 4829200 CPU: 15078.3, 0.0030967/step Wall: 15078.3, 0.0030967/step, 0.146921 hours remaining, 235.355469 MB of memory in use. ENERGY: 4829200 4021.4963 20507.7930 14468.9024 266.7596 -203562.5874 3158.5608 0.0000 0.0000 52362.0919 -108776.9834 300.9257 -161139.0753 -108401.3591 300.2103 37.0229 67.8780 763636.4547 -1.4076 -1.4998 PRESSURE: 4829400 295.544 -161.288 176.708 -161.288 -183.028 13.278 176.708 13.2775 -121.42 GPRESSURE: 4829400 365.043 -195.62 85.1056 -59.6334 -155.874 -34.5499 283.1 20.9808 -131.401 PRESSAVG: 4829400 22.9239 -63.176 2.1461 -63.176 -6.69905 58.1393 2.14613 58.1394 -5.3864 GPRESSAVG: 4829400 24.3543 -61.7687 2.96784 -62.6417 -8.2011 59.5264 1.64793 58.5473 -5.11732 TIMING: 4829400 CPU: 15078.9, 0.00309717/step Wall: 15078.9, 0.00309717/step, 0.146772 hours remaining, 235.355469 MB of memory in use. ENERGY: 4829400 3999.0280 20477.3037 14394.0161 252.6894 -203272.2919 2883.1333 0.0000 0.0000 52266.0738 -109000.0475 300.3738 -161266.1213 -108630.5727 300.4632 -2.9676 25.9225 761540.1607 3.6128 3.6786 PRESSURE: 4829600 -125.879 -9.63173 -222.731 -9.63164 161.38 -96.1613 -222.731 -96.1602 249.931 GPRESSURE: 4829600 -68.9956 -81.4794 -152.956 25.8699 142.632 -101.783 -166.123 -130.248 287.344 PRESSAVG: 4829600 -26.2617 -67.7406 22.4564 -67.7406 37.2908 -14.7837 22.4565 -14.7836 7.12602 GPRESSAVG: 4829600 -25.8311 -66.6467 21.0904 -66.6229 37.7928 -15.3992 25.4993 -14.8258 6.33648 TIMING: 4829600 CPU: 15079.5, 0.00310028/step Wall: 15079.5, 0.00310028/step, 0.146747 hours remaining, 235.355469 MB of memory in use. ENERGY: 4829600 3985.0761 20540.2722 14399.7353 257.9294 -202947.6339 2761.6722 0.0000 0.0000 52035.9268 -108967.0220 299.0512 -161002.9487 -108603.6556 299.7499 95.1440 120.3269 763290.9201 6.0517 6.0994 PRESSURE: 4829800 -431.774 -32.5691 245.821 -32.5702 -159.166 128.19 245.821 128.19 34.9976 GPRESSURE: 4829800 -343.569 -126.983 120.158 19.4828 -85.8933 188.679 345.571 154.68 -36.5325 PRESSAVG: 4829800 -23.8911 -55.2477 -1.92522 -55.2478 68.1178 43.1882 -1.92523 43.1882 -9.1235 GPRESSAVG: 4829800 -26.3409 -58.4056 -1.81178 -55.4224 69.5178 43.6613 -4.8845 42.5852 -8.39451 TIMING: 4829800 CPU: 15080.2, 0.00310895/step Wall: 15080.2, 0.00310895/step, 0.146984 hours remaining, 235.355469 MB of memory in use. ENERGY: 4829800 4053.9726 20509.4009 14435.8978 247.8135 -202932.0117 2533.7617 0.0000 0.0000 52248.3922 -108902.7729 300.2722 -161151.1652 -108530.8979 299.6957 -185.3142 -155.3317 762793.9145 11.7011 11.5941 PRESSURE: 4830000 -368.065 62.8829 100.717 62.8833 41.5262 85.9307 100.716 85.9309 -260.404 GPRESSURE: 4830000 -342.371 69.2075 73.436 66.9305 -5.70184 76.5001 172.053 60.0171 -167.021 PRESSAVG: 4830000 24.711 -10.39 53.7547 -10.39 -16.9324 15.741 53.7547 15.741 10.9371 GPRESSAVG: 4830000 25.4185 -9.2004 55.6791 -11.5426 -17.6842 14.5169 54.0444 15.1106 10.8435 TIMING: 4830000 CPU: 15080.8, 0.0031114/step Wall: 15080.8, 0.0031114/step, 0.146927 hours remaining, 235.355469 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: 4830000 3959.2562 20554.4508 14493.6086 257.8206 -202728.0121 2489.9541 0.0000 0.0000 51745.0094 -109227.9125 297.3793 -160972.9219 -108867.1335 299.7464 -195.6476 -171.6982 764213.1177 6.2386 6.1926 PRESSURE: 4830200 17.4812 190.976 -20.9796 190.977 -237.235 -81.0708 -20.9794 -81.0706 -128.566 GPRESSURE: 4830200 54.8615 75.4858 31.3088 202.627 -141.808 -100.121 -29.8241 15.4467 -190.69 PRESSAVG: 4830200 50.2406 -14.6622 32.7812 -14.6622 17.0506 2.4089 32.7812 2.40886 12.4057 GPRESSAVG: 4830200 51.034 -15.092 31.2347 -13.8963 16.2066 3.02433 33.4433 3.24084 12.4334 TIMING: 4830200 CPU: 15081.4, 0.00310734/step Wall: 15081.4, 0.00310734/step, 0.146563 hours remaining, 235.355469 MB of memory in use. ENERGY: 4830200 4045.3536 20437.2021 14409.1712 250.8245 -203124.0772 2602.3443 0.0000 0.0000 52080.7506 -109298.4308 299.3088 -161379.1814 -108932.9277 299.1238 -116.1065 -92.5457 760851.2043 26.5656 26.5580 PRESSURE: 4830400 -294.376 111.926 91.686 111.927 -239.75 157.247 91.6857 157.248 94.4686 GPRESSURE: 4830400 -177.072 157.68 154.5 113.538 -327.421 31.9405 40.7678 129.426 168.213 PRESSAVG: 4830400 67.0222 -46.8017 43.8915 -46.8017 -15.0742 52.6532 43.8915 52.6531 23.9094 GPRESSAVG: 4830400 67.4996 -46.3984 42.5515 -47.698 -14.4581 51.6138 44.8829 53.0576 22.9498 TIMING: 4830400 CPU: 15082, 0.00309357/step Wall: 15082, 0.00309357/step, 0.145742 hours remaining, 235.355469 MB of memory in use. ENERGY: 4830400 4001.7706 20347.1414 14508.6972 255.1567 -202951.1985 2371.8286 0.0000 0.0000 52017.2203 -109449.3835 298.9437 -161466.6039 -109084.8056 298.9986 -146.5525 -112.0934 762184.2426 25.2858 25.3304 PRESSURE: 4830600 -115.845 4.00342 19.534 4.00442 -39.7488 -40.5201 19.5343 -40.5206 25.1744 GPRESSURE: 4830600 -172.65 -38.5631 -19.4344 37.0397 103.169 -30.9712 13.4982 -40.1696 35.7331 PRESSAVG: 4830600 -31.3064 -13.669 -6.94412 -13.6689 -6.59705 0.955404 -6.9442 0.95543 -30.3066 GPRESSAVG: 4830600 -32.2103 -13.0189 -4.74524 -14.282 -7.17791 2.34803 -10.4335 -0.414913 -28.6789 TIMING: 4830600 CPU: 15082.6, 0.00309182/step Wall: 15082.6, 0.00309182/step, 0.145487 hours remaining, 235.355469 MB of memory in use. ENERGY: 4830600 4014.6063 20335.7521 14431.3757 239.1611 -203052.0929 2530.0409 0.0000 0.0000 52169.0249 -109332.1318 299.8161 -161501.1566 -108969.0537 298.6795 -43.4731 -11.2492 763056.2890 -22.7367 -22.6890 PRESSURE: 4830800 -155.607 -147.453 126.617 -147.452 94.6647 59.0784 126.618 59.0788 -362.105 GPRESSURE: 4830800 -51.277 -112.836 121.568 -112.628 90.7932 24.3331 81.1247 7.53848 -382.63 PRESSAVG: 4830800 43.5981 -34.1956 -8.83562 -34.1956 1.85406 -51.4384 -8.83561 -51.4384 13.3172 GPRESSAVG: 4830800 44.519 -34.2421 -9.45837 -34.0017 3.17094 -52.0629 -6.38087 -52.2643 11.4155 TIMING: 4830800 CPU: 15083.3, 0.00309112/step Wall: 15083.3, 0.00309112/step, 0.145283 hours remaining, 235.355469 MB of memory in use. ENERGY: 4830800 4018.6211 20596.7769 14450.2349 226.1921 -203566.1075 2880.2272 0.0000 0.0000 52111.5941 -109282.4612 299.4860 -161394.0553 -108922.0987 298.9418 -141.0160 -114.3712 762542.3704 19.5898 19.7018 PRESSURE: 4831000 -276.494 124.838 38.2566 124.839 -27.0162 117.672 38.2555 117.671 236.843 GPRESSURE: 4831000 -237.206 72.9411 -2.03643 103.8 56.6418 100.558 10.0466 104.502 177.986 PRESSAVG: 4831000 -54.2849 -53.7272 13.8244 -53.7272 56.4458 3.46747 13.8244 3.46744 -20.4467 GPRESSAVG: 4831000 -54.2168 -54.8354 11.7809 -52.2898 55.2847 2.75925 13.8133 4.44147 -19.1335 TIMING: 4831000 CPU: 15083.9, 0.00311145/step Wall: 15083.9, 0.00311145/step, 0.146065 hours remaining, 235.355469 MB of memory in use. ENERGY: 4831000 3974.7620 20593.3370 14392.6143 243.8377 -203342.2339 2690.5559 0.0000 0.0000 52100.5965 -109346.5304 299.4228 -161447.1269 -108976.6913 299.5466 -22.2223 -0.8595 762329.2870 -6.0953 -6.0219 PRESSURE: 4831200 120.941 -55.1045 64.8491 -55.1061 135.903 -35.2914 64.8486 -35.2908 279.814 GPRESSURE: 4831200 192.733 -114.315 64.3503 -11.6904 178.29 8.66539 -13.3394 31.9795 252.266 PRESSAVG: 4831200 -16.6276 -55.724 -9.97702 -55.724 48.4252 33.6512 -9.97705 33.6512 3.37824 GPRESSAVG: 4831200 -17.6769 -55.8394 -9.89052 -56.1509 49.9122 34.6017 -8.08362 35.138 3.20301 TIMING: 4831200 CPU: 15084.5, 0.00309836/step Wall: 15084.5, 0.00309836/step, 0.145278 hours remaining, 235.355469 MB of memory in use. ENERGY: 4831200 3971.5102 20563.4696 14388.0842 244.3266 -203183.7817 2658.1428 0.0000 0.0000 52006.1807 -109352.0676 298.8802 -161358.2483 -108989.1042 298.9886 178.8862 207.7630 761548.3583 11.7253 11.8128 PRESSURE: 4831400 -356.396 179.432 -33.9062 179.433 -10.5415 -51.8333 -33.9072 -51.8326 -284.545 GPRESSURE: 4831400 -230.446 156.016 -25.4111 63.9337 -61.8469 -86.8361 -0.874052 3.3865 -279.339 PRESSAVG: 4831400 -60.372 17.4193 -15.5135 17.4193 55.6833 11.1582 -15.5135 11.1582 8.40702 GPRESSAVG: 4831400 -59.5405 20.1075 -14.4521 16.644 55.9487 12.2928 -16.9778 8.87016 6.78725 TIMING: 4831400 CPU: 15085.1, 0.00309513/step Wall: 15085.1, 0.00309513/step, 0.144955 hours remaining, 235.355469 MB of memory in use. ENERGY: 4831400 3985.3807 20357.6056 14468.5829 245.4035 -202770.9317 2452.5312 0.0000 0.0000 51968.3537 -109293.0740 298.6628 -161261.4277 -108936.1963 298.7296 -217.1609 -190.5440 763067.5036 1.2394 1.0651 PRESSURE: 4831600 -284.583 103.962 56.6123 103.962 -283.719 187.157 56.6129 187.157 -477.499 GPRESSURE: 4831600 -234.066 81.8146 -58.5406 76.9596 -211.609 144.958 50.0952 211.301 -484.035 PRESSAVG: 4831600 -2.96254 8.36571 -11.9125 8.36574 -35.6601 -10.1912 -11.9125 -10.1912 -23.879 GPRESSAVG: 4831600 -3.99827 4.31709 -13.0102 9.06141 -35.7167 -10.8094 -12.5555 -7.99512 -22.9854 TIMING: 4831600 CPU: 15085.7, 0.00309342/step Wall: 15085.7, 0.00309342/step, 0.144703 hours remaining, 235.355469 MB of memory in use. ENERGY: 4831600 3995.5207 20474.4406 14472.0330 261.2111 -202975.0942 2490.2647 0.0000 0.0000 51896.3452 -109385.2789 298.2490 -161281.6241 -109024.0843 298.8690 -348.6005 -309.9031 762328.8503 -20.8339 -20.9001 PRESSURE: 4831800 -210.364 -150.584 -315.215 -150.584 183.785 113.522 -315.215 113.522 -280.431 GPRESSURE: 4831800 -131.836 -95.9227 -241.862 -163.395 132.019 178.638 -173.139 -25.0601 -239.558 PRESSAVG: 4831800 -27.83 2.05445 -27.4585 2.05439 31.3589 9.80521 -27.4586 9.8051 -3.02245 GPRESSAVG: 4831800 -27.3873 4.80435 -26.3102 1.12677 30.2267 10.7956 -30.2127 7.49299 -2.41458 TIMING: 4831800 CPU: 15086.4, 0.00308805/step Wall: 15086.4, 0.00308805/step, 0.144281 hours remaining, 235.355469 MB of memory in use. ENERGY: 4831800 4035.4700 20296.4448 14381.4221 236.3947 -203285.0709 2811.0629 0.0000 0.0000 52230.6396 -109293.6368 300.1702 -161524.2764 -108924.9843 298.9761 -102.3367 -79.7918 763536.3316 0.1688 0.1416 PRESSURE: 4832000 434.709 72.5711 241.158 72.5711 56.6414 6.896 241.158 6.89614 -509.285 GPRESSURE: 4832000 431.956 134.899 312.609 50.5003 136.45 31.1965 250.372 -104.624 -492.581 PRESSAVG: 4832000 10.1935 -0.918722 10.7947 -0.918735 25.389 -1.72252 10.7948 -1.72251 -6.43445 GPRESSAVG: 4832000 9.05947 -1.0297 9.94625 0.598519 26.9725 -2.56898 14.3286 0.278351 -6.58994 TIMING: 4832000 CPU: 15087, 0.00308592/step Wall: 15087, 0.00308592/step, 0.14401 hours remaining, 235.355469 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: 4832000 3932.5955 20511.0233 14451.5272 245.1322 -203266.2980 2818.7532 0.0000 0.0000 52173.4444 -109133.8224 299.8415 -161307.2668 -108767.3249 299.3139 -5.9782 25.2750 760909.9903 9.7160 9.8140 PRESSURE: 4832200 -369.804 5.88522 82.3561 5.88647 -93.6532 -31.7517 82.3553 -31.7519 -241.518 GPRESSURE: 4832200 -308.582 -24.612 150.528 127.95 -41.943 81.7348 105.522 -48.989 -275.225 PRESSAVG: 4832200 -20.9801 34.1311 39.0399 34.1312 50.7832 -22.8639 39.0399 -22.8639 -25.2901 GPRESSAVG: 4832200 -19.3101 33.792 40.9534 33.5821 48.8801 -24.2074 40.0705 -24.3405 -25.2467 TIMING: 4832200 CPU: 15087.6, 0.00309003/step Wall: 15087.6, 0.00309003/step, 0.14403 hours remaining, 235.355469 MB of memory in use. ENERGY: 4832200 3999.6073 20610.4164 14449.2439 231.7997 -203171.3788 2577.3470 0.0000 0.0000 52127.5771 -109175.3874 299.5779 -161302.9644 -108817.0414 299.4272 -234.9918 -208.5834 762316.2429 1.5043 1.4411 LDB: ============= START OF LOAD BALANCING ============== 15100.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15100.1 LDB: =============== DONE WITH MIGRATION ================ 15100.1 LDB: ============= START OF LOAD BALANCING ============== 15100.4 LDB: Largest compute 7028 load 0.031886 is 16.3% of average load 0.195295 LDB: Average compute 0.004395 is 2.3% of average load 0.195295 LDB: TIME 15100.4 LOAD: AVG 0.195295 MAX 0.213964 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.16 MB LDB: TIME 15100.4 LOAD: AVG 0.195295 MAX 0.213964 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.16 MB LDB: TIME 15100.4 LOAD: AVG 0.195295 MAX 0.213964 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.16 MB LDB: ============== END OF LOAD BALANCING =============== 15100.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15100.4 PRESSURE: 4832400 -68.8311 -36.9566 32.6194 -36.9554 -326.863 -111.233 32.6198 -111.234 -669.712 GPRESSURE: 4832400 -91.773 46.1714 -35.8574 -88.6295 -214.86 -143.084 -7.59627 -28.4682 -686.798 PRESSAVG: 4832400 -67.5602 -26.5786 42.201 -26.5786 33.7493 -9.63217 42.201 -9.6322 -21.3797 GPRESSAVG: 4832400 -69.4083 -27.7029 40.9795 -25.9447 35.7701 -10.0542 40.8035 -6.70047 -22.022 TIMING: 4832400 CPU: 15088.2, 0.00317321/step Wall: 15088.2, 0.00317321/step, 0.147731 hours remaining, 235.031250 MB of memory in use. ENERGY: 4832400 3987.9026 20555.4571 14344.7681 250.7954 -202841.9860 2409.7048 0.0000 0.0000 52131.3032 -109162.0548 299.5993 -161293.3580 -108793.1564 299.1637 -355.1354 -331.1437 763785.0288 -18.3969 -18.5534 PRESSURE: 4832600 190.901 -110.879 208.363 -110.88 283.528 93.2514 208.363 93.2507 270.68 GPRESSURE: 4832600 279.722 -122.44 66.155 -19.2594 242.722 166.208 140.902 177.386 317.244 PRESSAVG: 4832600 -9.74524 7.91676 30.3893 7.9167 66.9711 -11.5356 30.3893 -11.5356 12.5753 GPRESSAVG: 4832600 -8.0174 8.80677 29.9649 8.45083 64.0907 -9.98371 30.6381 -13.0577 14.0489 TIMING: 4832600 CPU: 15088.9, 0.00311516/step Wall: 15088.9, 0.00311516/step, 0.144855 hours remaining, 235.050781 MB of memory in use. ENERGY: 4832600 4004.9195 20599.6620 14430.8725 224.9984 -203398.5083 3067.0685 0.0000 0.0000 51805.1397 -109265.8477 297.7248 -161070.9874 -108908.5819 298.9814 248.3694 279.8960 761633.1049 23.2671 23.3741 PRESSURE: 4832800 59.439 -54.9331 -92.8593 -54.9326 349.736 42.6279 -92.8596 42.6278 77.0085 GPRESSURE: 4832800 111.432 -49.1525 -114.106 -96.0424 384.768 48.4239 -92.3136 -24.3536 79.0119 PRESSAVG: 4832800 -59.1423 8.78286 13.6254 8.78286 35.4872 3.68094 13.6255 3.68094 -18.118 GPRESSAVG: 4832800 -60.871 10.0711 14.4022 8.04822 36.5135 3.31182 13.0975 2.00156 -17.6502 TIMING: 4832800 CPU: 15089.5, 0.00312294/step Wall: 15089.5, 0.00312294/step, 0.145043 hours remaining, 235.050781 MB of memory in use. ENERGY: 4832800 3958.9226 20502.6304 14443.9270 218.5788 -203454.5132 2986.7532 0.0000 0.0000 52173.1811 -109170.5201 299.8400 -161343.7013 -108803.8137 299.2755 162.0610 191.7373 761352.0389 -13.9243 -14.0026 PRESSURE: 4833000 -29.994 4.77985 56.432 4.78052 -23.5983 104.774 56.4319 104.775 -165.873 GPRESSURE: 4833000 -11.528 81.6555 18.7036 43.2935 22.4844 106.69 71.7521 161.48 -165.771 PRESSAVG: 4833000 -22.0669 -56.6931 29.6714 -56.6931 54.8805 -10.3818 29.6714 -10.3817 0.506454 GPRESSAVG: 4833000 -19.889 -58.1431 28.1271 -54.9911 54.2632 -10.596 31.0716 -10.8912 -0.572592 TIMING: 4833000 CPU: 15090.1, 0.00310605/step Wall: 15090.1, 0.00310605/step, 0.144086 hours remaining, 235.085938 MB of memory in use. ENERGY: 4833000 3947.8018 20438.6074 14414.0319 226.6462 -203071.6324 2675.3919 0.0000 0.0000 52278.5565 -109090.5968 300.4456 -161369.1533 -108716.2330 299.2212 -73.1550 -51.6048 761777.2136 11.1067 11.2672 PRESSURE: 4833200 -232.088 -30.2482 405.967 -30.2472 -96.1171 -171.39 405.967 -171.39 -52.1907 GPRESSURE: 4833200 -84.9581 -7.74855 437.386 -43.1859 -101.9 -302.865 387.821 -141.831 -129.667 PRESSAVG: 4833200 22.657 -21.7023 36.7043 -21.7023 5.29376 9.45252 36.7043 9.45248 12.3728 GPRESSAVG: 4833200 22.5006 -20.3683 38.7418 -23.9741 5.60255 9.56318 33.6978 10.9076 12.0902 TIMING: 4833200 CPU: 15090.7, 0.00310269/step Wall: 15090.7, 0.00310269/step, 0.143758 hours remaining, 235.085938 MB of memory in use. ENERGY: 4833200 3988.4776 20530.3719 14457.6947 250.1602 -202906.1451 2690.3721 0.0000 0.0000 51980.0984 -109008.9703 298.7303 -160989.0687 -108654.1430 299.2499 -126.7986 -105.5084 763702.1528 13.4412 13.3978 PRESSURE: 4833400 -30.652 88.0815 -39.667 88.0815 418.221 -51.7708 -39.6674 -51.7714 37.7249 GPRESSURE: 4833400 -4.23447 119.001 30.0492 66.3337 449.495 6.37542 -70.4574 -119.399 74.5693 PRESSAVG: 4833400 -8.64236 -14.6418 62.4155 -14.6418 23.9124 41.6371 62.4155 41.6371 26.0851 GPRESSAVG: 4833400 -9.21161 -14.5332 62.4215 -14.2713 23.8066 42.6241 63.5752 41.805 26.2289 TIMING: 4833400 CPU: 15091.3, 0.00310855/step Wall: 15091.3, 0.00310855/step, 0.143857 hours remaining, 235.085938 MB of memory in use. ENERGY: 4833400 3968.1513 20464.6644 14472.0546 238.0150 -203042.3140 2889.3418 0.0000 0.0000 51898.3266 -109111.7603 298.2604 -161010.0869 -108746.9190 299.4907 141.7645 173.2766 761213.0318 13.7851 13.6080 PRESSURE: 4833600 -285.123 91.8717 33.5054 91.8716 21.0851 30.5807 33.5069 30.5806 -533.385 GPRESSURE: 4833600 -182.584 121.689 -11.0464 123.712 -7.8145 -22.0828 124.536 59.9499 -517.574 PRESSAVG: 4833600 13.2144 19.7162 10.8496 19.7162 -2.62433 -24.3623 10.8496 -24.3622 -9.74991 GPRESSAVG: 4833600 13.3199 19.6154 10.7134 18.2407 -2.89326 -25.4223 11.4965 -23.504 -9.92316 TIMING: 4833600 CPU: 15092, 0.00310693/step Wall: 15092, 0.00310693/step, 0.143609 hours remaining, 235.085938 MB of memory in use. ENERGY: 4833600 4038.3741 20488.1549 14404.9347 252.9206 -202794.1780 2401.3410 0.0000 0.0000 52125.4986 -109082.9542 299.5660 -161208.4528 -108716.9506 298.9810 -265.8076 -235.9908 762071.3908 0.2801 0.1678 PRESSURE: 4833800 -292.202 168.59 44.8355 168.59 24.0495 92.0952 44.835 92.095 61.8193 GPRESSURE: 4833800 -288.975 264.705 94.5029 156.1 155.176 66.4857 -27.4411 28.739 16.3721 PRESSAVG: 4833800 9.56293 30.3994 28.025 30.3994 11.0058 19.9388 28.025 19.9388 2.68453 GPRESSAVG: 4833800 8.5205 30.3724 28.5912 31.8955 12.1619 20.0956 28.1682 20.5224 2.29708 TIMING: 4833800 CPU: 15092.6, 0.00311398/step Wall: 15092.6, 0.00311398/step, 0.143762 hours remaining, 235.085938 MB of memory in use. ENERGY: 4833800 4005.2074 20355.9903 14453.7955 261.7399 -202940.9304 2563.2560 0.0000 0.0000 52134.6279 -109166.3134 299.6184 -161300.9413 -108803.0781 299.1166 -68.7776 -39.1421 762650.4486 7.7511 7.6598 PRESSURE: 4834000 -162.78 -141.682 -195.963 -141.681 66.741 -14.3311 -195.963 -14.3308 -123.298 GPRESSURE: 4834000 44.5592 -199.151 -190.003 -208.291 4.59722 -26.9773 -314.016 6.02305 -177.762 PRESSAVG: 4834000 28.8349 -25.3041 24.3032 -25.3041 8.35985 11.0145 24.3032 11.0145 16.5284 GPRESSAVG: 4834000 29.0584 -27.3046 24.1841 -24.5662 8.58577 11.1191 25.059 9.16608 15.486 TIMING: 4834000 CPU: 15093.2, 0.00311591/step Wall: 15093.2, 0.00311591/step, 0.143678 hours remaining, 235.085938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4834000 3926.1327 20295.5177 14418.9538 256.4116 -203241.3574 2784.6288 0.0000 0.0000 52372.8442 -109186.8684 300.9875 -161559.7126 -108824.5406 299.1467 -73.1124 -42.8684 763124.4755 17.9077 17.7101 PRESSURE: 4834200 -17.0264 -260.812 -190.439 -260.812 94.1407 -142.913 -190.439 -142.913 -181.42 GPRESSURE: 4834200 82.201 -175.165 -250.788 -261.601 53.9254 -92.018 -88.3228 -140.845 -176.845 PRESSAVG: 4834200 4.12142 3.49792 12.9219 3.49791 29.5308 6.25947 12.9218 6.2594 23.9083 GPRESSAVG: 4834200 3.7115 5.7545 12.0709 2.61536 29.0822 5.60674 12.5847 7.77126 24.815 TIMING: 4834200 CPU: 15093.8, 0.00309795/step Wall: 15093.8, 0.00309795/step, 0.142678 hours remaining, 235.085938 MB of memory in use. ENERGY: 4834200 4002.3788 20543.5901 14470.5191 243.3423 -203291.1492 2809.6143 0.0000 0.0000 52378.6880 -108843.0167 301.0210 -161221.7047 -108478.4914 299.6737 -34.7686 -13.5729 763580.8948 19.1868 19.2029 PRESSURE: 4834400 -203.989 220.392 90.5905 220.391 -103.133 142.443 90.59 142.441 217.057 GPRESSURE: 4834400 -199.306 95.4152 83.155 184.786 -12.6886 160.778 65.3855 67.9887 210.455 PRESSAVG: 4834400 21.6921 32.0581 -15.4669 32.0581 11.8454 57.3566 -15.4669 57.3566 16.1096 GPRESSAVG: 4834400 22.6111 31.3423 -14.0882 31.7019 12.1245 58.2341 -14.0559 56.926 15.3221 TIMING: 4834400 CPU: 15094.5, 0.00310813/step Wall: 15094.5, 0.00310813/step, 0.142974 hours remaining, 235.085938 MB of memory in use. ENERGY: 4834400 4037.1659 20433.3057 14494.8351 234.2524 -203086.4510 2709.6836 0.0000 0.0000 52140.2767 -109036.9317 299.6509 -161177.2084 -108676.5530 300.1008 -30.0218 -0.5132 764556.6608 16.5490 16.6859 PRESSURE: 4834600 228.974 66.457 -70.6963 66.4573 -7.41645 -125.815 -70.6959 -125.816 111.996 GPRESSURE: 4834600 190.159 -73.1779 29.0785 41.2346 70.0665 -87.3502 -127.61 -227.118 164.202 PRESSAVG: 4834600 -2.58494 16.0947 39.8211 16.0947 2.02355 -38.6975 39.8211 -38.6976 -0.651385 GPRESSAVG: 4834600 -2.96725 14.8978 40.2848 15.8636 2.38258 -38.5576 37.6008 -38.5512 -0.255892 TIMING: 4834600 CPU: 15095.1, 0.00310465/step Wall: 15095.1, 0.00310465/step, 0.142641 hours remaining, 235.085938 MB of memory in use. ENERGY: 4834600 3982.9280 20413.6533 14474.0721 222.7452 -203160.0075 2807.7757 0.0000 0.0000 52277.1230 -108981.7102 300.4373 -161258.8332 -108610.8886 299.5757 111.1845 141.4758 762542.1062 -0.4043 -0.2802 PRESSURE: 4834800 -44.4838 26.0604 -61.2222 26.0606 0.0170611 275.66 -61.2227 275.659 351.443 GPRESSURE: 4834800 69.1697 -6.0029 -88.9686 116.583 6.54169 270.274 -6.94984 131.105 314.527 PRESSAVG: 4834800 -30.3567 48.1873 -29.6156 48.1873 26.4895 -29.7525 -29.6156 -29.7525 9.10998 GPRESSAVG: 4834800 -29.7975 49.1991 -31.7332 49.4296 26.4262 -29.1234 -28.569 -31.2307 8.17439 TIMING: 4834800 CPU: 15095.7, 0.00309106/step Wall: 15095.7, 0.00309106/step, 0.141845 hours remaining, 235.070312 MB of memory in use. ENERGY: 4834800 3962.8321 20512.7807 14482.6509 231.7321 -203077.5600 2907.7650 0.0000 0.0000 51888.1387 -109091.6605 298.2018 -160979.7992 -108738.6133 299.2490 102.3256 130.0795 763288.6130 1.7476 1.6010 PRESSURE: 4835000 -207.732 152.07 -75.5393 152.071 -65.5242 -91.4554 -75.5391 -91.4544 -50.0223 GPRESSURE: 4835000 -155.435 139.031 -68.3587 101.049 -94.0173 -43.9055 -139.966 -107.694 2.95008 PRESSAVG: 4835000 -64.0399 70.3165 12.9424 70.3165 62.02 -64.9985 12.9424 -64.9985 -23.7618 GPRESSAVG: 4835000 -64.2065 71.0447 14.4875 69.0974 61.2217 -65.4068 13.0495 -62.8939 -23.3288 TIMING: 4835000 CPU: 15096.3, 0.00310624/step Wall: 15096.3, 0.00310625/step, 0.14237 hours remaining, 235.070312 MB of memory in use. ENERGY: 4835000 4040.8975 20568.7257 14461.6726 226.2350 -202787.7150 2553.6717 0.0000 0.0000 51878.2823 -109058.2301 298.1452 -160936.5124 -108703.0701 299.2813 -107.7594 -82.1675 764213.4787 -8.5939 -8.7712 PRESSURE: 4835200 -245.516 127.303 162.215 127.303 206.333 -85.8605 162.215 -85.8609 240.083 GPRESSURE: 4835200 -166.803 106.181 201.805 159.107 187.566 -145.246 1.82543 49.7193 258.662 PRESSAVG: 4835200 -39.3767 61.8412 4.41811 61.8411 59.0951 -20.5617 4.41817 -20.5616 -11.5964 GPRESSAVG: 4835200 -38.1977 62.0379 3.38117 61.9773 57.6632 -21.5001 3.78096 -21.3761 -11.1277 TIMING: 4835200 CPU: 15096.9, 0.00310533/step Wall: 15096.9, 0.00310533/step, 0.142155 hours remaining, 235.070312 MB of memory in use. ENERGY: 4835200 3961.4718 20576.1336 14456.3994 230.9758 -203184.9722 2694.3523 0.0000 0.0000 52267.0562 -108998.5831 300.3795 -161265.6393 -108636.4516 299.6477 66.9667 93.1417 762550.0597 2.7073 2.7793 PRESSURE: 4835400 -45.0586 245.491 -86.7769 245.49 -8.47048 380.221 -86.7779 380.221 -220.47 GPRESSURE: 4835400 -27.4349 176.261 -61.0481 139.45 67.7255 362.182 3.27495 347.586 -228.798 PRESSAVG: 4835400 -77.5381 12.4637 19.2107 12.4636 54.999 42.5988 19.2106 42.5989 12.7206 GPRESSAVG: 4835400 -77.6741 11.9145 20.1956 13.4054 56.0511 43.6724 18.6349 41.7216 12.4652 TIMING: 4835400 CPU: 15097.6, 0.00310428/step Wall: 15097.6, 0.00310428/step, 0.141935 hours remaining, 235.070312 MB of memory in use. ENERGY: 4835400 4137.4177 20459.1532 14482.8911 245.8312 -203252.7962 2679.1628 0.0000 0.0000 52226.6577 -109021.6824 300.1473 -161248.3401 -108659.0217 299.3118 -91.3330 -62.8358 762139.5295 -3.2728 -3.0526 PRESSURE: 4835600 -108.873 46.1975 -5.72522 46.1972 61.2297 -233.812 -5.72556 -233.812 485.915 GPRESSURE: 4835600 -125.396 54.451 67.5968 21.13 121.164 -197.303 -72.9368 -290.772 517.053 PRESSAVG: 4835600 -10.0831 -14.4191 36.0272 -14.4191 56.2385 44.7564 36.0273 44.7563 24.6457 GPRESSAVG: 4835600 -10.7128 -13.6201 36.6735 -14.9234 56.3377 44.7903 36.5368 44.9317 24.9005 TIMING: 4835600 CPU: 15098.2, 0.00311156/step Wall: 15098.2, 0.00311156/step, 0.142094 hours remaining, 235.085938 MB of memory in use. ENERGY: 4835600 3942.1903 20548.3758 14444.7562 259.2596 -203068.9450 2847.6796 0.0000 0.0000 51999.4793 -109027.2042 298.8417 -161026.6835 -108669.7293 299.7734 146.0906 170.9406 762796.3807 23.6003 23.5085 PRESSURE: 4835800 -208.495 -52.2578 -116.252 -52.2578 89.2733 -167.081 -116.251 -167.081 -377.413 GPRESSURE: 4835800 -72.3437 -10.9052 -121.458 -35.7252 61.0762 -180.964 -192.265 -207.227 -383.605 PRESSAVG: 4835800 38.3429 29.6006 11.2959 29.6006 -10.3132 -11.1298 11.2958 -11.1298 -14.5203 GPRESSAVG: 4835800 37.7857 30.6249 8.97129 29.2624 -10.0606 -11.5767 11.2377 -10.3424 -14.6502 TIMING: 4835800 CPU: 15098.8, 0.00310889/step Wall: 15098.8, 0.00310889/step, 0.1418 hours remaining, 235.085938 MB of memory in use. ENERGY: 4835800 4033.1293 20517.0182 14470.2226 236.8593 -203371.2260 2799.7868 0.0000 0.0000 52062.8022 -109251.4076 299.2056 -161314.2099 -108896.6836 299.2094 -165.5449 -131.6242 763020.6635 4.5032 4.3583 PRESSURE: 4836000 -217.528 -123.636 -26.0149 -123.635 -99.8228 -205.685 -26.0152 -205.685 -172.925 GPRESSURE: 4836000 -254.373 32.0267 119.967 -89.5782 -29.7059 -199.302 -138.806 -47.1285 -125.652 PRESSAVG: 4836000 27.1122 -15.2027 16.0591 -15.2027 -32.2367 -21.2663 16.0591 -21.2664 0.376096 GPRESSAVG: 4836000 27.8102 -13.3202 18.9776 -17.2817 -33.8063 -21.8744 16.1636 -22.2545 1.65415 TIMING: 4836000 CPU: 15099.4, 0.00311991/step Wall: 15099.4, 0.00311991/step, 0.142129 hours remaining, 235.085938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4836000 3989.3772 20493.2453 14519.4833 239.1865 -202627.5949 2272.2191 0.0000 0.0000 51869.5867 -109244.4968 298.0952 -161114.0835 -108889.4053 298.7555 -163.4253 -136.5768 761923.0061 -1.5828 -1.4473 PRESSURE: 4836200 40.7291 -125.051 231.126 -125.051 -68.4549 -71.5905 231.126 -71.5898 -132.422 GPRESSURE: 4836200 20.0325 -48.4985 209.651 -53.1056 24.1915 -111.255 222.573 -86.5614 -115.423 PRESSAVG: 4836200 -41.6664 -9.78392 22.1962 -9.78399 17.1992 -44.992 22.1961 -44.992 -7.5492 GPRESSAVG: 4836200 -41.594 -13.226 21.5121 -6.98295 18.8718 -44.387 20.1447 -45.1916 -9.32751 TIMING: 4836200 CPU: 15100, 0.00309333/step Wall: 15100, 0.00309333/step, 0.140747 hours remaining, 235.085938 MB of memory in use. ENERGY: 4836200 3977.7074 20474.9878 14364.6039 249.9627 -203695.3850 3190.2457 0.0000 0.0000 52181.3134 -109256.5639 299.8867 -161437.8773 -108900.1068 298.9412 -53.3826 -23.7329 763427.5147 -10.6721 -10.6832 LDB: ============= START OF LOAD BALANCING ============== 15112.5 LDB: ============== END OF LOAD BALANCING =============== 15112.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15112.5 LDB: ============= START OF LOAD BALANCING ============== 15112.8 LDB: Largest compute 7028 load 0.031886 is 16.3% of average load 0.195220 LDB: Average compute 0.004402 is 2.3% of average load 0.195220 LDB: TIME 15112.8 LOAD: AVG 0.19522 MAX 0.214415 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.777 MB LDB: TIME 15112.8 LOAD: AVG 0.19522 MAX 0.214415 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.816 MB LDB: TIME 15112.8 LOAD: AVG 0.19522 MAX 0.214415 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.816 MB LDB: ============== END OF LOAD BALANCING =============== 15112.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15112.8 PRESSURE: 4836400 6.70499 -127.21 -173.464 -127.211 169.566 -97.1899 -173.465 -97.191 -69.5709 GPRESSURE: 4836400 42.4646 -243.969 -158.93 -3.73136 261.926 -71.2675 -111.392 -56.6442 -117.02 PRESSAVG: 4836400 47.5396 -43.3564 17.9904 -43.3564 -34.689 18.3328 17.9903 18.3327 -13.1639 GPRESSAVG: 4836400 47.3722 -41.703 16.7089 -44.3942 -35.7608 19.0887 21.2573 18.8919 -12.301 TIMING: 4836400 CPU: 15100.7, 0.00317441/step Wall: 15100.7, 0.00317441/step, 0.144259 hours remaining, 235.800781 MB of memory in use. ENERGY: 4836400 3990.4181 20761.8713 14415.4280 246.5583 -203664.5628 2940.4740 0.0000 0.0000 51921.0877 -109388.7254 298.3912 -161309.8131 -109040.1406 299.4419 35.5667 62.4568 762455.8355 -0.1044 -0.2298 PRESSURE: 4836600 36.8636 126.732 142.129 126.731 -566.687 98.5615 142.129 98.5623 -49.5855 GPRESSURE: 4836600 35.0074 159.537 88.7455 22.9491 -492.446 100.935 -108.075 124.364 -35.0137 PRESSAVG: 4836600 24.397 -11.4235 57.9061 -11.4235 -8.37295 6.89579 57.9062 6.89588 5.38671 GPRESSAVG: 4836600 25.3659 -12.8492 59.2092 -10.9061 -8.14328 5.4033 54.5762 7.15272 4.59704 TIMING: 4836600 CPU: 15101.3, 0.00310361/step Wall: 15101.3, 0.00310361/step, 0.14087 hours remaining, 235.941406 MB of memory in use. ENERGY: 4836600 4024.0349 20562.6010 14434.1212 245.5282 -203674.0606 2823.9037 0.0000 0.0000 52126.9673 -109456.9043 299.5744 -161583.8716 -109087.2010 299.2245 -193.1363 -164.1507 763248.2097 7.1369 7.2732 PRESSURE: 4836800 -188.331 -263.597 -13.2499 -263.598 -267.363 209.316 -13.2489 209.317 -158.407 GPRESSURE: 4836800 -220.356 -132.396 -21.408 -258.868 -202.38 190.413 34.8814 129.954 -123.651 PRESSAVG: 4836800 45.6263 36.2231 50.349 36.2231 -36.5181 -0.373994 50.349 -0.373985 0.327477 GPRESSAVG: 4836800 44.4533 36.2754 49.7104 36.3471 -36.0125 0.146186 52.6708 -1.74355 0.84745 TIMING: 4836800 CPU: 15101.9, 0.00313059/step Wall: 15101.9, 0.00313059/step, 0.14192 hours remaining, 235.941406 MB of memory in use. ENERGY: 4836800 3991.2967 20439.1629 14434.1129 245.4370 -202897.1200 2356.6599 0.0000 0.0000 51850.8666 -109579.5841 297.9876 -161430.4507 -109225.0273 298.5479 -204.7003 -182.1289 764473.5197 3.1452 3.0961 PRESSURE: 4837000 142.96 168.594 131.638 168.593 -185.112 -292.671 131.638 -292.671 -74.23 GPRESSURE: 4837000 159.749 175.586 241.073 94.693 -149.744 -228.74 23.4191 -138.52 -51.1991 PRESSAVG: 4837000 9.6268 -46.7054 47.044 -46.7054 6.66203 -13.5627 47.044 -13.5627 -1.92737 GPRESSAVG: 4837000 8.64763 -47.1719 46.5794 -46.9231 7.30636 -12.1113 47.9018 -12.2763 -1.92875 TIMING: 4837000 CPU: 15102.5, 0.00312064/step Wall: 15102.5, 0.00312064/step, 0.141296 hours remaining, 235.929688 MB of memory in use. ENERGY: 4837000 4004.2014 20426.4699 14504.6343 228.7389 -203808.3682 3063.5464 0.0000 0.0000 51891.6426 -109689.1347 298.2220 -161580.7773 -109334.8295 298.3058 -38.7941 -13.7312 761424.7995 4.7872 4.6751 PRESSURE: 4837200 -288.588 46.2834 21.2383 46.2837 132.632 -77.8283 21.2382 -77.8283 428.915 GPRESSURE: 4837200 -249.743 37.9009 22.0974 -0.0429835 206.713 -88.9932 -8.79073 -106.461 409.956 PRESSAVG: 4837200 33.2545 4.99108 63.333 4.99108 -65.5643 12.4725 63.3329 12.4725 15.9951 GPRESSAVG: 4837200 33.6871 6.96689 64.0665 5.54786 -66.6605 12.6541 63.9638 11.0505 16.4091 TIMING: 4837200 CPU: 15103.2, 0.003113/step Wall: 15103.2, 0.003113/step, 0.140777 hours remaining, 235.929688 MB of memory in use. ENERGY: 4837200 4003.1046 20335.6581 14487.6481 259.1671 -203707.3730 2941.6685 0.0000 0.0000 52078.4393 -109601.6871 299.2955 -161680.1265 -109240.9088 298.2355 90.9865 122.3089 761763.9566 -5.4382 -5.5214 PRESSURE: 4837400 1.48355 -44.2915 -20.6358 -44.2916 45.181 -98.6668 -20.6362 -98.6666 -513.689 GPRESSURE: 4837400 -14.3076 -9.24999 -40.5726 -35.7823 90.8403 -6.68613 -75.3906 -66.6873 -466.959 PRESSAVG: 4837400 -5.41948 -24.8852 5.80995 -24.8851 -19.5853 8.70246 5.80995 8.70257 17.5952 GPRESSAVG: 4837400 -5.93902 -26.026 3.57044 -25.0551 -18.7906 6.97736 4.84539 9.61761 17.0492 TIMING: 4837400 CPU: 15103.8, 0.00308289/step Wall: 15103.8, 0.00308289/step, 0.139244 hours remaining, 235.941406 MB of memory in use. ENERGY: 4837400 3996.8990 20329.9769 14531.8115 243.5934 -203042.7826 2535.1481 0.0000 0.0000 51851.9324 -109553.4214 297.9938 -161405.3538 -109193.7051 298.7624 -155.6748 -130.1420 762084.7982 -2.4699 -2.5601 PRESSURE: 4837600 -75.2871 -0.352802 190.989 -0.353298 135.394 16.1547 190.989 16.1546 38.1609 GPRESSURE: 4837600 15.0542 -56.691 259.982 -5.12795 114.282 62.0803 252.55 9.1066 44.1283 PRESSAVG: 4837600 43.5781 -4.13869 16.717 -4.13867 -31.301 -28.6646 16.717 -28.6647 -1.82914 GPRESSAVG: 4837600 45.1999 -5.29517 18.2185 -4.59933 -31.7521 -28.8272 15.5606 -27.6345 -2.9135 TIMING: 4837600 CPU: 15104.4, 0.00310881/step Wall: 15104.4, 0.00310881/step, 0.140242 hours remaining, 235.941406 MB of memory in use. ENERGY: 4837600 4011.2310 20360.7113 14530.3520 251.0316 -203869.4702 2939.7386 0.0000 0.0000 52136.8956 -109639.5101 299.6315 -161776.4057 -109271.7212 298.8249 32.7559 57.8215 762278.7060 3.4827 3.5114 PRESSURE: 4837800 -126.49 -30.1581 268.43 -30.1575 -538.098 -40.2375 268.429 -40.2371 -149.295 GPRESSURE: 4837800 -118.76 -79.0313 334.994 -12.5113 -512.952 -39.2124 251.848 -50.4739 -82.9522 PRESSAVG: 4837800 11.9249 -4.71712 37.2235 -4.71715 13.1814 30.1881 37.2235 30.1881 -0.18452 GPRESSAVG: 4837800 10.4945 -4.00797 37.91 -4.62798 12.8932 29.5301 37.0012 28.7624 1.20379 TIMING: 4837800 CPU: 15105, 0.00312757/step Wall: 15105, 0.00312757/step, 0.140915 hours remaining, 235.941406 MB of memory in use. ENERGY: 4837800 4045.5505 20450.3128 14497.9072 242.2373 -203587.4964 2794.7525 0.0000 0.0000 51806.8368 -109749.8993 297.7346 -161556.7361 -109396.7951 298.6916 -271.2947 -238.2216 763187.5750 8.3073 8.1972 PRESSURE: 4838000 147.201 -85.4246 5.12112 -85.4247 29.6068 -188.964 5.12184 -188.964 66.9643 GPRESSURE: 4838000 154.939 -39.4363 -7.76 -15.9786 52.371 -52.6085 -37.9431 -186.343 130.126 PRESSAVG: 4838000 19.1294 -18.3009 8.41473 -18.301 -17.4994 -14.4016 8.41475 -14.4015 -1.60003 GPRESSAVG: 4838000 20.0216 -19.5414 4.7994 -17.7711 -17.9557 -12.8245 11.8977 -15.7339 -2.16898 TIMING: 4838000 CPU: 15105.7, 0.00311147/step Wall: 15105.7, 0.00311147/step, 0.140016 hours remaining, 235.941406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4838000 3931.2341 20545.8863 14521.8812 248.3526 -203593.1059 2667.2816 0.0000 0.0000 51825.3426 -109853.1275 297.8410 -161678.4701 -109496.3701 298.1035 81.2574 112.4785 760191.6039 0.0100 -0.0344 PRESSURE: 4838200 -184.469 100.301 98.0271 100.3 -57.5386 242.381 98.0282 242.38 -297.316 GPRESSURE: 4838200 -122.149 107.946 81.8233 64.9308 -128.472 285.476 63.406 165.785 -217.581 PRESSAVG: 4838200 -9.72321 -9.62785 -6.72505 -9.62784 15.2258 11.5028 -6.72497 11.5027 21.1139 GPRESSAVG: 4838200 -11.099 -7.69338 -6.98433 -10.8202 16.6939 10.2259 -8.67532 12.7755 20.0606 TIMING: 4838200 CPU: 15106.3, 0.00313194/step Wall: 15106.3, 0.00313194/step, 0.140763 hours remaining, 235.941406 MB of memory in use. ENERGY: 4838200 3979.1918 20522.9668 14489.0214 264.2481 -203806.7643 2463.8580 0.0000 0.0000 51913.8810 -110173.5972 298.3498 -162087.4782 -109813.0113 298.2828 -179.7746 -156.0674 761641.8488 8.8721 8.5518 PRESSURE: 4838400 -185.952 -69.0608 129.287 -69.0613 -57.3194 92.9666 129.286 92.9665 -143.521 GPRESSURE: 4838400 -157.491 -181.494 177.395 -1.80757 6.2197 104.686 61.8593 23.0205 -140.392 PRESSAVG: 4838400 2.98939 15.5359 19.1795 15.536 -40.9377 45.5934 19.1795 45.5934 -15.0625 GPRESSAVG: 4838400 3.47113 14.2248 20.4431 17.8675 -41.9854 44.7685 20.3182 47.1367 -14.1858 TIMING: 4838400 CPU: 15106.9, 0.0031116/step Wall: 15106.9, 0.0031116/step, 0.139676 hours remaining, 235.941406 MB of memory in use. ENERGY: 4838400 4006.6810 20576.0099 14416.8935 239.2635 -203852.0510 2721.5367 0.0000 0.0000 51760.9789 -110130.6875 297.4711 -161891.6664 -109767.2118 297.7383 -128.9308 -97.2213 759721.1944 -17.6703 -17.5667 PRESSURE: 4838600 1.41227 142.219 -197.606 142.219 -169.322 178.099 -197.605 178.099 -124.117 GPRESSURE: 4838600 -18.2475 60.5033 -184.865 94.0292 -82.0025 266.623 -254.532 194.65 -95.3755 PRESSAVG: 4838600 29.7022 16.3874 60.5851 16.3874 -58.6763 -26.9258 60.5852 -26.9257 -11.3987 GPRESSAVG: 4838600 27.8653 18.202 63.1594 14.7626 -58.2532 -24.9647 58.8422 -29.4342 -10.3854 TIMING: 4838600 CPU: 15107.5, 0.00312103/step Wall: 15107.5, 0.00312103/step, 0.139926 hours remaining, 235.941406 MB of memory in use. ENERGY: 4838600 3997.0390 20385.5424 14360.3909 250.8484 -203864.5998 2942.1916 0.0000 0.0000 51801.2910 -110127.2964 297.7027 -161928.5874 -109779.0484 297.5887 -97.3422 -65.2085 762773.7561 -13.4576 -13.5911 PRESSURE: 4838800 -17.0614 -200.56 69.9251 -200.559 -69.3518 -13.7399 69.9241 -13.7388 287.361 GPRESSURE: 4838800 53.6559 -158.015 38.2138 -114.851 -98.4199 -48.569 117.358 14.5717 330.018 PRESSAVG: 4838800 59.0801 -5.92176 8.86396 -5.9218 2.82679 30.7418 8.86398 30.7418 -3.19327 GPRESSAVG: 4838800 60.1047 -5.41096 7.65191 -6.59552 2.54078 30.2284 10.658 31.8561 -4.11397 TIMING: 4838800 CPU: 15108.2, 0.00311568/step Wall: 15108.2, 0.00311568/step, 0.139513 hours remaining, 235.941406 MB of memory in use. ENERGY: 4838800 3979.1987 20295.2445 14446.4453 234.4467 -203644.9720 2947.4091 0.0000 0.0000 51658.9440 -110083.2838 296.8847 -161742.2278 -109720.2394 297.6756 66.9826 95.0848 761378.3289 19.5712 19.5105 PRESSURE: 4839000 75.6368 -44.7973 150.711 -44.7981 1.20073 -137.24 150.711 -137.241 -8.613 GPRESSURE: 4839000 143.594 -8.97038 222.937 -60.5507 12.9836 -52.7484 125.64 -79.3934 -0.434779 PRESSAVG: 4839000 -58.5277 -32.7917 67.0529 -32.7917 10.1908 -25.1226 67.0529 -25.1225 6.19093 GPRESSAVG: 4839000 -58.6792 -35.1436 66.9899 -30.5602 9.75129 -25.1168 65.6472 -25.257 6.5631 TIMING: 4839000 CPU: 15108.8, 0.00310678/step Wall: 15108.8, 0.00310678/step, 0.138942 hours remaining, 235.941406 MB of memory in use. ENERGY: 4839000 3995.3673 20475.2532 14409.0455 243.1954 -203939.3090 2918.7240 0.0000 0.0000 51883.4770 -110014.2466 298.1751 -161897.7236 -109652.8860 297.4994 22.7415 52.0476 761102.8077 -14.0487 -14.1216 PRESSURE: 4839200 -349.839 -175.103 -148.648 -175.103 372.946 -71.5735 -148.647 -71.5725 -59.3959 GPRESSURE: 4839200 -300.204 -167.078 -67.3419 -253.76 299.709 -95.9941 -116.318 -66.8989 53.1939 PRESSAVG: 4839200 47.0374 15.3998 36.6512 15.3998 -18.4171 -40.2677 36.6512 -40.2678 -11.4274 GPRESSAVG: 4839200 46.5184 16.0859 35.6837 14.7425 -18.7389 -41.3046 37.2945 -38.5655 -10.6508 TIMING: 4839200 CPU: 15109.4, 0.00309704/step Wall: 15109.4, 0.00309704/step, 0.138334 hours remaining, 235.941406 MB of memory in use. ENERGY: 4839200 3952.6752 20490.3308 14390.5701 231.5308 -203669.8270 2760.6070 0.0000 0.0000 51977.4820 -109866.6311 298.7153 -161844.1131 -109501.5884 297.6747 -12.0963 17.5663 759746.7405 5.7310 5.7096 PRESSURE: 4839400 -45.9506 -173.714 -270.68 -173.714 -298.692 217.062 -270.679 217.061 -114.205 GPRESSURE: 4839400 -75.1902 -193.021 -224.973 -131.11 -196.074 190.585 -234.28 259.893 -120.787 PRESSAVG: 4839400 27.679 -12.557 -72.5092 -12.557 -35.2549 -5.81211 -72.5093 -5.81218 -12.9565 GPRESSAVG: 4839400 27.4029 -11.4205 -72.1418 -12.9983 -33.7887 -5.51635 -73.9539 -7.51493 -14.5324 TIMING: 4839400 CPU: 15110, 0.00310686/step Wall: 15110, 0.00310686/step, 0.138601 hours remaining, 235.941406 MB of memory in use. ENERGY: 4839400 3979.7100 20512.5049 14466.1333 236.6708 -203367.4591 2414.8604 0.0000 0.0000 51878.9041 -109878.6755 298.1488 -161757.5796 -109501.5625 297.8622 -152.9494 -130.6837 761398.0844 -6.8441 -6.9728 PRESSURE: 4839600 115.65 231.189 161.481 231.189 -63.7473 -91.2343 161.481 -91.2342 133.884 GPRESSURE: 4839600 250.071 282.547 158.554 171.667 -70.1976 -148.203 195.459 -9.91708 99.3995 PRESSAVG: 4839600 49.3174 27.5979 41.8985 27.5979 -47.4087 41.6894 41.8985 41.6894 -18.4355 GPRESSAVG: 4839600 50.6716 26.746 40.5224 27.5665 -49.5476 41.5331 42.571 43.7634 -17.6577 TIMING: 4839600 CPU: 15110.6, 0.00310891/step Wall: 15110.6, 0.00310891/step, 0.138519 hours remaining, 235.941406 MB of memory in use. ENERGY: 4839600 4024.7595 20313.1193 14442.5455 237.5360 -203716.1382 2876.4814 0.0000 0.0000 51822.4206 -109999.2759 297.8242 -161821.6964 -109639.6018 297.8810 61.9291 93.0909 762235.4441 -5.5089 -5.5113 PRESSURE: 4839800 -264.334 -256.017 -32.2782 -256.016 -181.327 209.101 -32.2788 209.102 -785.053 GPRESSURE: 4839800 -279.146 -253.608 -86.8856 -272.341 -29.0844 221.749 -19.0355 163.283 -843.977 PRESSAVG: 4839800 -17.8807 -36.476 45.3986 -36.476 23.4748 -10.9016 45.3986 -10.9015 2.97259 GPRESSAVG: 4839800 -18.1858 -37.1187 44.6663 -36.3274 24.6476 -11.1104 46.7813 -11.5791 2.31888 TIMING: 4839800 CPU: 15111.3, 0.00309428/step Wall: 15111.3, 0.00309428/step, 0.137696 hours remaining, 235.941406 MB of memory in use. ENERGY: 4839800 3957.0550 20624.7435 14441.0312 241.3364 -203728.2065 2891.4121 0.0000 0.0000 51744.7297 -109827.8985 297.3777 -161572.6282 -109473.6340 298.0716 -410.2381 -384.0693 764671.6359 2.8556 2.9269 PRESSURE: 4840000 225.485 148.119 92.9512 148.119 186.534 36.6929 92.9526 36.6936 404.487 GPRESSURE: 4840000 316.751 139.573 87.3971 223.464 266.997 111.536 -67.4851 -85.8915 325.305 PRESSAVG: 4840000 -29.3477 13.2618 -15.9973 13.2618 15.7677 11.7102 -15.9973 11.7102 -1.51496 GPRESSAVG: 4840000 -29.2933 14.8617 -14.4247 12.4269 15.335 13.1627 -15.8734 11.5957 -1.31484 TIMING: 4840000 CPU: 15111.9, 0.0030931/step Wall: 15111.9, 0.0030931/step, 0.137471 hours remaining, 235.941406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4840000 3941.3797 20440.0154 14442.7740 267.7293 -204009.2629 3189.1719 0.0000 0.0000 51981.9229 -109746.2698 298.7408 -161728.1926 -109381.6094 298.2694 272.1685 303.0179 762523.5204 -5.0316 -5.0910 PRESSURE: 4840200 -287.832 -128.342 -77.0648 -128.341 -247.643 49.0449 -77.0644 49.0449 -162.447 GPRESSURE: 4840200 -201.768 -264.567 -31.1572 -151.833 -204.098 -77.2896 -0.106421 35.2079 -221.555 PRESSAVG: 4840200 24.0164 31.0456 -12.1475 31.0455 0.26873 16.801 -12.1474 16.801 13.4889 GPRESSAVG: 4840200 25.4394 31.0246 -13.0809 29.5549 -0.539104 15.3507 -13.0311 16.6941 12.9724 TIMING: 4840200 CPU: 15112.5, 0.00310042/step Wall: 15112.5, 0.00310042/step, 0.137624 hours remaining, 235.941406 MB of memory in use. ENERGY: 4840200 3990.5904 20640.6882 14374.5068 251.8482 -203482.1531 2743.4078 0.0000 0.0000 52024.2365 -109456.8752 298.9840 -161481.1117 -109091.7995 299.0640 -232.6403 -209.1403 763916.2564 12.5914 12.6242 LDB: ============= START OF LOAD BALANCING ============== 15125 LDB: ============== END OF LOAD BALANCING =============== 15125 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15125 LDB: ============= START OF LOAD BALANCING ============== 15125.3 LDB: Largest compute 7028 load 0.031473 is 16.1% of average load 0.195266 LDB: Average compute 0.004390 is 2.2% of average load 0.195266 LDB: TIME 15125.3 LOAD: AVG 0.195266 MAX 0.216489 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.387 MB LDB: TIME 15125.3 LOAD: AVG 0.195266 MAX 0.216489 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.387 MB LDB: TIME 15125.3 LOAD: AVG 0.195266 MAX 0.216489 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.387 MB LDB: ============== END OF LOAD BALANCING =============== 15125.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15125.3 PRESSURE: 4840400 228.268 -85.063 52.1909 -85.0631 357.991 161.103 52.1912 161.103 -3.05394 GPRESSURE: 4840400 312.66 126.97 12.4526 39.952 359.779 96.2326 61.3837 102.583 -5.03083 PRESSAVG: 4840400 -0.616513 12.5589 -17.0022 12.559 0.0422955 -34.9533 -17.0023 -34.9533 10.2091 GPRESSAVG: 4840400 -0.241816 11.1175 -17.6607 15.8767 -1.06321 -35.6778 -14.9603 -35.8194 10.9984 TIMING: 4840400 CPU: 15113.1, 0.00317417/step Wall: 15113.1, 0.00317417/step, 0.140722 hours remaining, 234.519531 MB of memory in use. ENERGY: 4840400 3960.4541 20639.5827 14459.1855 243.8556 -203995.2528 3038.7354 0.0000 0.0000 52017.0173 -109636.4222 298.9425 -161653.4395 -109277.5298 298.6160 194.4018 222.4691 762476.8739 3.2116 3.2311 PRESSURE: 4840600 -277.936 113.342 -87.91 113.341 -141.818 -13.3003 -87.9094 -13.3006 -346.097 GPRESSURE: 4840600 -275.544 226.375 -60.9547 148.955 -39.1567 -25.5201 -151.835 85.7996 -376.656 PRESSAVG: 4840600 -55.1389 -24.428 30.5097 -24.428 17.1757 -55.8524 30.5097 -55.8524 8.65008 GPRESSAVG: 4840600 -56.1377 -24.2699 30.1553 -25.4102 18.224 -55.2952 26.6815 -54.6489 8.77022 TIMING: 4840600 CPU: 15113.7, 0.00310437/step Wall: 15113.7, 0.00310437/step, 0.137454 hours remaining, 234.519531 MB of memory in use. ENERGY: 4840600 4076.4989 20424.3135 14443.1958 244.6013 -203616.4218 2674.0334 0.0000 0.0000 52024.4205 -109729.3585 298.9851 -161753.7790 -109376.2780 298.4239 -255.2838 -230.4522 764464.9451 -9.7710 -9.7145 PRESSURE: 4840800 97.7451 94.8558 116.847 94.8557 -164.72 149.421 116.847 149.422 69.923 GPRESSURE: 4840800 139.179 59.433 112.376 69.4908 -127.837 138.124 54.2516 170.591 89.0379 PRESSAVG: 4840800 -45.0344 31.1117 42.7356 31.1118 33.3261 -16.561 42.7356 -16.561 17.4583 GPRESSAVG: 4840800 -44.4821 31.553 43.6326 31.3122 33.747 -18.2048 45.398 -15.4584 16.8521 TIMING: 4840800 CPU: 15114.4, 0.003101/step Wall: 15114.4, 0.003101/step, 0.137133 hours remaining, 234.519531 MB of memory in use. ENERGY: 4840800 4009.1720 20408.4444 14346.2442 238.0012 -203874.7122 2938.5790 0.0000 0.0000 52061.5834 -109872.6881 299.1986 -161934.2715 -109499.9285 298.0373 0.9828 33.4602 763297.9861 1.9166 2.0390 PRESSURE: 4841000 103.989 123.426 -66.7082 123.427 150.693 94.1155 -66.7085 94.116 -322.875 GPRESSURE: 4841000 173.625 93.9701 -77.2283 90.942 138.346 30.486 -9.17978 93.1685 -287.657 PRESSAVG: 4841000 -12.3591 -10.0253 -13.0609 -10.0253 12.9593 52.8038 -13.0609 52.8037 9.26501 GPRESSAVG: 4841000 -13.303 -9.72512 -12.6285 -10.471 13.6777 55.5688 -12.7172 50.1092 9.40851 TIMING: 4841000 CPU: 15115, 0.00308633/step Wall: 15115, 0.00308633/step, 0.136313 hours remaining, 234.589844 MB of memory in use. ENERGY: 4841000 3958.4919 20526.7867 14473.1221 243.5710 -204005.3531 3040.8658 0.0000 0.0000 51915.8277 -109846.6879 298.3610 -161762.5156 -109480.9018 297.6226 -22.7307 8.1048 761167.9985 3.2884 3.2611 PRESSURE: 4841200 34.5247 -192.682 2.92464 -192.682 412.703 -152.736 2.92468 -152.737 84.1319 GPRESSURE: 4841200 53.1489 -164.683 114.588 -151.758 480.306 -107.732 -149.265 -104.416 91.7025 PRESSAVG: 4841200 42.0866 -6.67784 25.8487 -6.67784 -30.5694 20.0852 25.8486 20.0852 3.59913 GPRESSAVG: 4841200 43.1347 -6.33799 26.4499 -6.77962 -32.051 20.6018 23.5644 21.8613 3.53196 TIMING: 4841200 CPU: 15115.6, 0.00307832/step Wall: 15115.6, 0.00307832/step, 0.135788 hours remaining, 234.589844 MB of memory in use. ENERGY: 4841200 3952.8131 20571.4799 14348.6574 243.0291 -203870.9762 2963.0602 0.0000 0.0000 51921.5767 -109870.3599 298.3940 -161791.9366 -109521.9039 298.0972 177.1198 208.3858 763699.6132 5.0388 4.8719 PRESSURE: 4841400 315.712 116.706 -252.45 116.706 -155.981 48.1637 -252.452 48.1637 97.0812 GPRESSURE: 4841400 345.686 -27.8595 -219.79 168.247 -93.5262 12.6734 -261.539 81.432 87.5636 PRESSAVG: 4841400 -1.36408 38.647 0.819462 38.6469 10.6346 29.6039 0.819471 29.6039 -9.33598 GPRESSAVG: 4841400 -1.07522 36.9247 0.985388 40.235 10.9398 28.5268 1.02109 29.7219 -9.7631 TIMING: 4841400 CPU: 15116.2, 0.00308171/step Wall: 15116.2, 0.00308171/step, 0.135767 hours remaining, 234.578125 MB of memory in use. ENERGY: 4841400 4017.3371 20524.5224 14402.3969 242.1597 -203957.2525 2843.0158 0.0000 0.0000 51826.0567 -110101.7639 297.8451 -161927.8206 -109743.1598 297.8993 85.6042 113.2412 762246.9424 -0.0218 0.0338 PRESSURE: 4841600 78.4364 -74.5528 54.5076 -74.5534 74.4395 145.618 54.5075 145.618 402.664 GPRESSURE: 4841600 72.633 -78.0115 11.6618 -38.9723 170.673 125.014 102.984 116.222 377.026 PRESSAVG: 4841600 11.2803 9.86518 -38.8672 9.86516 -47.662 -52.7333 -38.8672 -52.7333 27.8505 GPRESSAVG: 4841600 10.0856 10.6456 -38.652 7.67747 -46.4344 -52.3233 -37.1684 -55.0201 28.205 TIMING: 4841600 CPU: 15116.8, 0.00309202/step Wall: 15116.8, 0.00309202/step, 0.136049 hours remaining, 234.589844 MB of memory in use. ENERGY: 4841600 3986.0770 20361.8189 14330.7554 270.7861 -204046.1620 3357.5111 0.0000 0.0000 51558.7656 -110180.4478 296.3089 -161739.2134 -109826.7501 297.0167 185.1798 206.7773 763725.7502 -2.8437 -2.7146 PRESSURE: 4841800 -42.9529 106.264 3.01212 106.263 55.8779 -75.9482 3.01249 -75.948 -331.576 GPRESSURE: 4841800 47.3849 62.4395 44.0541 134.859 36.3506 -16.9993 -108.092 -95.8619 -314.309 PRESSAVG: 4841800 66.8349 0.33021 -16.2391 0.330193 -5.57034 -5.84428 -16.2391 -5.84436 -3.56031 GPRESSAVG: 4841800 67.175 0.817629 -16.3118 2.00956 -7.12997 -5.21687 -16.347 -4.38163 -2.51768 TIMING: 4841800 CPU: 15117.5, 0.00309427/step Wall: 15117.5, 0.00309427/step, 0.135976 hours remaining, 234.589844 MB of memory in use. ENERGY: 4841800 3958.0955 20561.6056 14389.5052 241.4696 -203715.9935 2876.2171 0.0000 0.0000 51684.1386 -110004.9619 297.0295 -161689.1005 -109649.0881 297.1681 -106.2171 -76.8578 764615.2720 19.2348 19.1758 PRESSURE: 4842000 -205.149 146.832 -35.1547 146.831 -44.5732 -113.941 -35.1547 -113.943 -10.1771 GPRESSURE: 4842000 -108.956 172.842 -61.6922 97.4364 -4.51306 -104.986 55.2103 -33.9457 -53.2582 PRESSAVG: 4842000 15.9731 5.58283 22.8107 5.58272 -30.0558 -29.9309 22.8106 -29.9308 -1.89309 GPRESSAVG: 4842000 16.8425 5.58497 21.951 5.197 -29.5606 -29.6963 23.4615 -30.1081 -2.94144 TIMING: 4842000 CPU: 15118.1, 0.00310395/step Wall: 15118.1, 0.00310395/step, 0.136229 hours remaining, 234.578125 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: 4842000 4003.8232 20418.9303 14476.4329 250.1295 -203530.4866 2764.8234 0.0000 0.0000 51637.3086 -109979.0388 296.7603 -161616.3474 -109616.3654 297.2015 -86.6331 -55.5757 763042.6862 -5.3253 -5.2198 PRESSURE: 4842200 -326.326 -198.883 24.5789 -198.883 -359.529 137.322 24.5792 137.324 -213.03 GPRESSURE: 4842200 -327.98 -186.887 -24.4327 -189.355 -329.825 215.351 50.9224 165.819 -190.377 PRESSAVG: 4842200 -17.9849 22.2793 -27.0907 22.2792 31.0916 -28.845 -27.0907 -28.845 -2.77353 GPRESSAVG: 4842200 -19.3049 21.9869 -28.2467 22.365 30.4937 -28.4075 -28.58 -29.0932 -1.82242 TIMING: 4842200 CPU: 15118.7, 0.00309774/step Wall: 15118.7, 0.00309774/step, 0.135784 hours remaining, 234.578125 MB of memory in use. ENERGY: 4842200 3911.1886 20391.5380 14393.8591 238.5145 -203508.9540 2568.0608 0.0000 0.0000 52077.7845 -109928.0084 299.2917 -162005.7930 -109562.5819 297.5851 -299.6279 -282.7276 763120.2205 3.4444 3.1221 PRESSURE: 4842400 -44.9946 10.439 79.6482 10.4394 -85.9243 -124.784 79.6484 -124.784 22.2496 GPRESSURE: 4842400 -84.948 171.309 13.8626 -46.138 -27.1052 -160.792 49.5266 67.4438 67.225 PRESSAVG: 4842400 -20.2656 9.3176 19.113 9.31753 -6.8848 -67.6089 19.1131 -67.6089 -25.1697 GPRESSAVG: 4842400 -17.906 9.36669 20.3941 10.2414 -6.83614 -68.2571 20.0167 -67.8544 -26.5565 TIMING: 4842400 CPU: 15119.3, 0.00310523/step Wall: 15119.3, 0.00310523/step, 0.13594 hours remaining, 234.589844 MB of memory in use. ENERGY: 4842400 4066.1197 20624.6312 14481.7741 237.7452 -203748.8400 2820.8646 0.0000 0.0000 51703.4274 -109814.2777 297.1403 -161517.7051 -109456.3949 297.4083 -36.2231 -14.9427 762980.8321 -17.4400 -17.0996 PRESSURE: 4842600 -10.6532 -78.3356 -54.4299 -78.3348 -99.589 -161.18 -54.4301 -161.18 -364.342 GPRESSURE: 4842600 5.14986 -82.7134 -136.902 -177.136 -43.419 -125.821 -175.395 -243.975 -340.5 PRESSAVG: 4842600 -24.5003 28.2843 33.9597 28.2843 -28.7764 -37.1504 33.9596 -37.1504 -7.90288 GPRESSAVG: 4842600 -27.2741 29.7591 34.4384 26.1956 -27.3837 -36.7362 32.3574 -35.5764 -6.16889 TIMING: 4842600 CPU: 15119.9, 0.00312034/step Wall: 15119.9, 0.00312034/step, 0.136428 hours remaining, 234.589844 MB of memory in use. ENERGY: 4842600 4027.9577 20533.2185 14458.3325 234.0494 -203620.4123 2846.7246 0.0000 0.0000 51747.5413 -109772.5883 297.3938 -161520.1296 -109408.9004 298.4814 -158.1946 -126.2564 763098.8891 -20.3932 -20.2755 PRESSURE: 4842800 -42.2605 63.0181 120.065 63.0177 -658.686 41.0004 120.065 41.0001 186.962 GPRESSURE: 4842800 -23.2084 -7.34922 153.193 18.8997 -576.354 -12.355 153.47 -14.8476 177.246 PRESSAVG: 4842800 96.461 25.9708 58.9496 25.9708 -65.5803 4.80335 58.9496 4.80334 17.1949 GPRESSAVG: 4842800 97.1458 24.471 58.2798 25.9289 -66.6939 4.48885 60.0089 1.8842 16.9981 TIMING: 4842800 CPU: 15120.6, 0.00309881/step Wall: 15120.6, 0.00309881/step, 0.135315 hours remaining, 234.589844 MB of memory in use. ENERGY: 4842800 4007.3024 20458.0530 14421.0312 232.6322 -203091.8222 2413.8522 0.0000 0.0000 52014.3481 -109544.6030 298.9272 -161558.9511 -109185.3314 298.5031 -171.3283 -140.7722 762694.7938 16.0252 15.8167 PRESSURE: 4843000 -35.556 279.724 248.374 279.724 -185.819 -60.5061 248.375 -60.5055 -488.268 GPRESSURE: 4843000 -25.8583 211.733 169.055 191.028 -149.666 13.2099 235.852 -73.57 -447.344 PRESSAVG: 4843000 25.9276 9.92662 5.96688 9.92663 -58.4964 -38.6667 5.96687 -38.6667 10.7415 GPRESSAVG: 4843000 28.1671 8.46696 5.80726 11.5879 -59.5936 -38.6753 6.71468 -36.0642 9.49147 TIMING: 4843000 CPU: 15121.2, 0.00309857/step Wall: 15121.2, 0.00309857/step, 0.135132 hours remaining, 234.589844 MB of memory in use. ENERGY: 4843000 4056.4270 20600.5507 14459.6831 268.9440 -203336.4617 2801.7558 0.0000 0.0000 51952.0929 -109197.0082 298.5694 -161149.1012 -108838.7169 299.2407 -236.5479 -207.6228 763303.1193 -7.2758 -7.3117 PRESSURE: 4843200 325.101 -13.2988 36.2154 -13.2979 123.888 -189.739 36.2155 -189.739 99.8651 GPRESSURE: 4843200 246.271 -22.2897 -43.3282 -83.128 199.642 -237.616 121.118 -96.3622 186.928 PRESSAVG: 4843200 14.4666 -37.6733 55.8181 -37.6732 19.1885 -74.0091 55.8181 -74.0092 -4.51134 GPRESSAVG: 4843200 11.6024 -38.9747 58.7434 -38.2799 20.7884 -74.3779 54.9895 -74.6659 -3.72108 TIMING: 4843200 CPU: 15121.8, 0.00310325/step Wall: 15121.8, 0.00310325/step, 0.135164 hours remaining, 234.578125 MB of memory in use. ENERGY: 4843200 3996.9792 20709.9918 14464.2870 259.3896 -203721.7027 2879.9519 0.0000 0.0000 52229.0211 -109182.0820 300.1609 -161411.1031 -108823.6275 299.3407 182.9514 210.9467 761521.2713 9.7146 9.5566 PRESSURE: 4843400 -116.39 -118.31 -28.4462 -118.31 -58.7654 -165.181 -28.447 -165.181 245.087 GPRESSURE: 4843400 -23.3452 10.999 -1.68978 -75.8676 0.415735 -205.004 -63.338 -37.041 166.958 PRESSAVG: 4843400 4.26067 -42.8087 -19.2102 -42.8087 -20.236 -83.1768 -19.2101 -83.1767 5.67619 GPRESSAVG: 4843400 6.50716 -40.6844 -21.1748 -45.5653 -21.4801 -81.6328 -19.6386 -84.3944 4.78842 TIMING: 4843400 CPU: 15122.4, 0.00310084/step Wall: 15122.4, 0.00310084/step, 0.134887 hours remaining, 234.578125 MB of memory in use. ENERGY: 4843400 3978.4323 20580.2493 14467.7429 230.5184 -203054.2977 2494.6900 0.0000 0.0000 52121.9990 -109180.6658 299.5458 -161302.6648 -108819.9121 299.6907 23.3104 48.0094 762886.2785 -3.4330 -3.3948 PRESSURE: 4843600 225.133 -207.48 47.8987 -207.481 7.38928 113.956 47.8988 113.956 234.028 GPRESSURE: 4843600 326.404 -147.172 26.6308 -236.887 37.0051 -15.327 -45.7979 83.5342 186.436 PRESSAVG: 4843600 -24.9747 -42.9286 -3.43115 -42.9287 75.9957 -36.9433 -3.43109 -36.9432 -8.02166 GPRESSAVG: 4843600 -26.0017 -41.3158 -4.518 -42.2784 76.4736 -38.9675 -3.82941 -35.8949 -8.02477 TIMING: 4843600 CPU: 15123, 0.00310311/step Wall: 15123, 0.00310311/step, 0.134813 hours remaining, 234.578125 MB of memory in use. ENERGY: 4843600 4015.0286 20677.1569 14455.7506 248.0839 -203567.5483 2859.2175 0.0000 0.0000 51912.2472 -109400.0636 298.3404 -161312.3108 -109042.3822 298.9044 155.5166 183.2815 762977.7544 14.3331 14.1491 PRESSURE: 4843800 -145.478 25.4816 -117.891 25.4819 -219.327 -49.5864 -117.892 -49.5865 -156.021 GPRESSURE: 4843800 -86.5645 -48.522 -137.397 13.3933 -144.288 -116.53 -180.086 -164.507 -208.597 PRESSAVG: 4843800 20.3657 -91.212 -0.084525 -91.2121 -17.0545 16.4885 -0.0845476 16.4885 28.7572 GPRESSAVG: 4843800 20.5875 -91.4131 -0.115856 -93.4325 -18.8335 15.0593 2.56269 17.7051 30.2501 TIMING: 4843800 CPU: 15123.7, 0.00310916/step Wall: 15123.7, 0.00310916/step, 0.134903 hours remaining, 234.578125 MB of memory in use. ENERGY: 4843800 3954.6079 20631.5403 14450.8778 242.5941 -203438.5638 2869.3097 0.0000 0.0000 51962.5288 -109327.1051 298.6294 -161289.6340 -108971.9979 299.1880 -173.6087 -146.4831 765062.2736 10.6895 10.6680 PRESSURE: 4844000 -48.8447 87.9143 173.213 87.915 262.561 48.6873 173.212 48.6877 337.246 GPRESSURE: 4844000 -37.2701 56.6116 116.268 12.7045 297.449 -32.1939 84.0136 51.1569 404.289 PRESSAVG: 4844000 3.37958 -5.25521 6.12906 -5.25519 -12.1463 -30.9154 6.12908 -30.9155 17.6557 GPRESSAVG: 4844000 3.21606 -6.24881 6.8271 -2.98723 -11.2241 -28.6928 5.20249 -32.0785 17.2548 TIMING: 4844000 CPU: 15124.3, 0.00308845/step Wall: 15124.3, 0.00308845/step, 0.133833 hours remaining, 234.578125 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: 4844000 3923.5440 20606.9049 14514.7997 236.1330 -203766.4588 3106.5305 0.0000 0.0000 52045.3493 -109333.1972 299.1053 -161378.5465 -108975.6823 298.9680 183.6540 221.4894 762462.3542 2.9630 3.0823 PRESSURE: 4844200 -210.765 149.142 -11.6326 149.142 372.287 -127.373 -11.6319 -127.372 366.17 GPRESSURE: 4844200 -134.386 164.448 -17.4188 -4.72623 428.274 -154.733 -123.438 -234.871 314.349 PRESSAVG: 4844200 -5.6666 -52.4011 24.5266 -52.4012 31.2963 -33.5819 24.5266 -33.5818 -38.034 GPRESSAVG: 4844200 -6.27125 -52.1677 23.8449 -53.0479 31.0046 -33.7722 23.111 -34.8819 -37.8147 TIMING: 4844200 CPU: 15124.9, 0.00309782/step Wall: 15124.9, 0.00309782/step, 0.134067 hours remaining, 234.632812 MB of memory in use. ENERGY: 4844200 3915.5723 20515.3251 14467.4839 259.2227 -203315.9675 2885.7543 0.0000 0.0000 52074.6241 -109197.9850 299.2736 -161272.6091 -108843.9054 298.9731 175.8970 202.7458 763516.6384 -4.1348 -4.3605 LDB: ============= START OF LOAD BALANCING ============== 15137.4 LDB: ============== END OF LOAD BALANCING =============== 15137.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15137.4 LDB: ============= START OF LOAD BALANCING ============== 15137.7 LDB: Largest compute 7028 load 0.032511 is 16.6% of average load 0.195355 LDB: Average compute 0.004387 is 2.2% of average load 0.195355 LDB: TIME 15137.7 LOAD: AVG 0.195355 MAX 0.215597 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.629 MB LDB: TIME 15137.7 LOAD: AVG 0.195355 MAX 0.215597 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.723 MB LDB: TIME 15137.7 LOAD: AVG 0.195355 MAX 0.215597 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.723 MB LDB: ============== END OF LOAD BALANCING =============== 15137.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15137.7 PRESSURE: 4844400 197.828 16.0718 0.402282 16.0719 181.238 -128.563 0.401664 -128.564 138.975 GPRESSURE: 4844400 303.007 -90.3954 59.2512 32.3123 162.614 -125.792 63.8272 -10.5286 132.835 PRESSAVG: 4844400 -2.855 5.65856 -14.4146 5.65859 0.964697 -69.7644 -14.4147 -69.7644 8.52935 GPRESSAVG: 4844400 -3.90467 6.57761 -12.7942 3.42712 2.34777 -69.3467 -15.085 -67.5457 8.30997 TIMING: 4844400 CPU: 15125.5, 0.00316773/step Wall: 15125.5, 0.00316773/step, 0.136916 hours remaining, 235.542969 MB of memory in use. ENERGY: 4844400 3934.8546 20322.2995 14433.0875 277.7557 -203216.1146 2819.5258 0.0000 0.0000 52354.2653 -109074.3263 300.8807 -161428.5916 -108703.3763 299.2301 172.6804 199.4852 762258.6892 2.2130 2.2510 PRESSURE: 4844600 278.069 -13.0844 35.0578 -13.0841 269.817 11.1599 35.0582 11.1595 272.729 GPRESSURE: 4844600 290.227 -95.5004 3.24517 -52.8469 303.152 -29.3947 105.538 114.311 303.511 PRESSAVG: 4844600 9.98595 17.6072 -55.5759 17.6071 -8.64444 47.0829 -55.5759 47.0829 14.8522 GPRESSAVG: 4844600 12.2968 17.1954 -57.4003 18.8573 -9.61789 47.0657 -54.9729 45.0104 13.4838 TIMING: 4844600 CPU: 15126.2, 0.00310438/step Wall: 15126.2, 0.00310438/step, 0.134006 hours remaining, 236.007812 MB of memory in use. ENERGY: 4844600 3938.0395 20520.9979 14414.1987 247.4178 -203275.8194 3036.5758 0.0000 0.0000 52091.6717 -109026.9180 299.3716 -161118.5897 -108657.5654 299.5575 273.5382 298.9635 762393.8000 5.3979 5.3876 PRESSURE: 4844800 -177.67 10.6622 8.36485 10.6617 -99.075 241.428 8.36569 241.427 -250.814 GPRESSURE: 4844800 -156.852 98.3525 -48.4182 -21.4156 -24.5118 198.201 -53.6078 367.503 -259.461 PRESSAVG: 4844800 -43.4773 -15.9917 -26.9731 -15.9917 18.5032 62.8397 -26.973 62.8397 -20.6855 GPRESSAVG: 4844800 -45.1294 -16.33 -25.9936 -14.479 19.054 61.6323 -27.1069 64.2442 -19.3643 TIMING: 4844800 CPU: 15126.8, 0.00308936/step Wall: 15126.8, 0.00308935/step, 0.133186 hours remaining, 236.007812 MB of memory in use. ENERGY: 4844800 3987.7078 20647.7432 14431.4285 260.3323 -203337.7209 2910.0055 0.0000 0.0000 51968.2623 -109132.2412 298.6623 -161100.5035 -108777.7406 299.2476 -175.8530 -146.9415 764518.6166 -15.2199 -15.1466 PRESSURE: 4845000 -214.111 -31.5695 154.133 -31.5692 -155.754 -170.984 154.133 -170.985 -5.16841 GPRESSURE: 4845000 -107.262 -85.3643 174.508 4.49203 -175.942 -125.109 76.13 -95.59 -21.181 PRESSAVG: 4845000 27.7162 -18.2959 -17.6456 -18.2959 -17.5775 40.5975 -17.6455 40.5975 -3.59308 GPRESSAVG: 4845000 29.1666 -18.9543 -17.1163 -19.5984 -18.1374 41.684 -16.7047 39.2885 -4.42533 TIMING: 4845000 CPU: 15127.4, 0.00309687/step Wall: 15127.4, 0.00309687/step, 0.133337 hours remaining, 236.007812 MB of memory in use. ENERGY: 4845000 3993.2686 20585.1871 14491.5408 269.6479 -203586.4239 2987.7709 0.0000 0.0000 52044.6622 -109214.3464 299.1014 -161259.0086 -108862.2755 299.1744 -125.0110 -101.4616 763951.2710 2.1819 2.2013 PRESSURE: 4845200 146.329 -238.881 89.0833 -238.882 -486.772 -321.061 89.083 -321.062 43.5531 GPRESSURE: 4845200 140.68 -193.413 86.6793 -140.782 -397.447 -230.049 153.561 -158.076 69.2373 PRESSAVG: 4845200 20.9936 20.9583 24.0226 20.9583 -16.9538 -24.4729 24.0226 -24.473 18.9545 GPRESSAVG: 4845200 20.103 21.6722 22.3152 22.7892 -17.5964 -25.0507 21.8611 -21.2984 20.4464 TIMING: 4845200 CPU: 15128, 0.00309016/step Wall: 15128, 0.00309016/step, 0.132877 hours remaining, 236.007812 MB of memory in use. ENERGY: 4845200 4048.3591 20556.3322 14460.9705 251.1395 -203362.5634 2896.3400 0.0000 0.0000 51912.9737 -109236.4483 298.3446 -161149.4220 -108877.1468 299.2675 -98.9632 -62.5101 763551.7182 7.6647 7.6510 PRESSURE: 4845400 234.892 -70.9965 149.056 -70.9966 -43.8184 275.727 149.057 275.727 -59.1698 GPRESSURE: 4845400 254.586 -66.894 226.29 -51.66 53.7322 219.617 205.373 206.437 -100.461 PRESSAVG: 4845400 -11.7784 -49.9681 39.2211 -49.9681 -5.90493 19.9471 39.2211 19.9471 -6.18411 GPRESSAVG: 4845400 -11.0536 -51.0994 40.8791 -50.118 -5.44921 18.7601 38.2831 17.5574 -7.91487 TIMING: 4845400 CPU: 15128.6, 0.00308225/step Wall: 15128.6, 0.00308225/step, 0.132365 hours remaining, 236.074219 MB of memory in use. ENERGY: 4845400 3928.2453 20772.4542 14446.3116 246.2030 -203738.6212 3027.3586 0.0000 0.0000 51962.0530 -109355.9955 298.6266 -161318.0486 -108991.1403 299.1363 43.9681 69.2858 761809.5352 -7.9558 -8.1392 PRESSURE: 4845600 -216.997 4.33594 -106.214 4.3364 151.026 24.2519 -106.213 24.2516 75.4749 GPRESSURE: 4845600 -192.619 50.3102 -99.4185 -87.614 131.02 112.151 -82.2359 55.9344 128.843 PRESSAVG: 4845600 10.7546 -13.1627 -8.90867 -13.1627 3.8576 -9.01645 -8.90859 -9.01649 35.4002 GPRESSAVG: 4845600 9.7897 -14.4564 -10.3333 -13.7231 3.65247 -8.66219 -5.39386 -8.14536 36.5296 TIMING: 4845600 CPU: 15129.2, 0.00310651/step Wall: 15129.2, 0.00310651/step, 0.133235 hours remaining, 236.074219 MB of memory in use. ENERGY: 4845600 3975.5383 20501.8318 14443.2563 247.6034 -203530.9775 2989.2848 0.0000 0.0000 52012.7117 -109360.7512 298.9178 -161373.4629 -109006.6351 298.8453 3.1677 22.4146 761871.2870 16.6708 16.6573 PRESSURE: 4845800 241.903 67.2951 -50.3547 67.2953 273.91 -124.387 -50.3547 -124.386 172.445 GPRESSURE: 4845800 313.817 -61.0163 -15.939 -13.7668 287.617 -99.9864 -20.1218 -130.567 166.064 PRESSAVG: 4845800 30.5229 -41.9849 -60.8977 -41.9849 11.7595 41.6269 -60.8977 41.6269 14.6419 GPRESSAVG: 4845800 30.9823 -42.4896 -59.9236 -41.7811 12.0202 43.3568 -63.1161 41.1298 13.4071 TIMING: 4845800 CPU: 15129.9, 0.00310399/step Wall: 15129.9, 0.00310399/step, 0.132954 hours remaining, 236.074219 MB of memory in use. ENERGY: 4845800 3999.8082 20589.5163 14403.8973 256.7450 -203579.3115 2944.8241 0.0000 0.0000 52136.8939 -109247.6267 299.6314 -161384.5206 -108901.2658 299.2077 229.4192 255.8326 762739.1954 18.9748 18.8032 PRESSURE: 4846000 -60.9091 -67.0323 -76.0203 -67.0314 -196.939 -116.349 -76.0203 -116.349 -492.115 GPRESSURE: 4846000 1.03208 16.133 -79.9263 24.6258 -210.913 43.1697 -54.4189 -100.625 -461.312 PRESSAVG: 4846000 2.23378 -60.9962 -32.9247 -60.9962 -48.7162 80.2505 -32.9248 80.2505 12.223 GPRESSAVG: 4846000 2.24139 -59.3997 -32.5536 -61.4106 -49.2425 79.7101 -32.3266 79.7175 13.0649 TIMING: 4846000 CPU: 15130.5, 0.00308139/step Wall: 15130.5, 0.00308139/step, 0.131815 hours remaining, 236.074219 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: 4846000 4025.4689 20501.7061 14471.2664 258.0255 -203483.2694 2917.5068 0.0000 0.0000 52058.4854 -109250.8102 299.1808 -161309.2957 -108893.4421 299.0217 -249.9878 -223.7309 763612.8926 -11.4198 -11.3121 PRESSURE: 4846200 -128.504 -46.7983 -52.3602 -46.7973 -144.251 -78.4575 -52.3593 -78.4583 -664.669 GPRESSURE: 4846200 -40.3329 -29.2473 -79.6177 -23.3157 -74.832 -155.133 -152.097 -25.0874 -725.147 PRESSAVG: 4846200 30.8616 -14.3228 -34.6965 -14.3229 -44.0843 -15.7438 -34.6965 -15.7437 -16.301 GPRESSAVG: 4846200 30.607 -14.5714 -34.9623 -14.0539 -42.956 -17.5058 -34.7311 -14.1192 -16.6429 TIMING: 4846200 CPU: 15131.1, 0.00309294/step Wall: 15131.1, 0.00309294/step, 0.132137 hours remaining, 236.074219 MB of memory in use. ENERGY: 4846200 3929.1777 20600.8256 14421.8458 241.2077 -203359.4065 2742.4707 0.0000 0.0000 52118.0990 -109305.7800 299.5234 -161423.8789 -108948.0514 298.9883 -312.4746 -280.1040 762200.8474 -9.8413 -9.6639 PRESSURE: 4846400 -9.94923 127.188 51.3953 127.189 276.711 -136.111 51.3959 -136.112 -291.29 GPRESSURE: 4846400 91.983 77.1683 43.3021 26.5874 228.716 -84.4263 42.9446 -255.267 -247.094 PRESSAVG: 4846400 16.5802 -59.1864 -10.0648 -59.1864 -29.1778 46.2839 -10.0648 46.2839 1.23429 GPRESSAVG: 4846400 16.8038 -58.6631 -10.0051 -60.0553 -29.0253 48.6517 -10.1308 45.3187 0.761371 TIMING: 4846400 CPU: 15131.7, 0.00309433/step Wall: 15131.7, 0.00309434/step, 0.132025 hours remaining, 236.074219 MB of memory in use. ENERGY: 4846400 3950.4870 20594.3525 14502.9942 241.2106 -203503.0380 2795.5514 0.0000 0.0000 52032.0082 -109386.4341 299.0287 -161418.4423 -109023.3071 299.2375 -8.1761 24.5351 763756.8102 -3.7878 -3.8200 PRESSURE: 4846600 -242.007 8.99893 -40.4646 8.99901 292.487 221.725 -40.4648 221.726 -77.823 GPRESSURE: 4846600 -215.368 22.5034 -30.3086 4.12149 284.851 238.237 41.164 102.945 10.9405 PRESSAVG: 4846600 -16.7042 -11.4578 -26.662 -11.4579 26.9648 49.8834 -26.662 49.8834 17.2497 GPRESSAVG: 4846600 -16.0291 -11.7332 -27.3189 -11.3812 25.6637 49.2728 -24.3669 45.2044 17.5602 TIMING: 4846600 CPU: 15132.3, 0.00311551/step Wall: 15132.3, 0.00311551/step, 0.132755 hours remaining, 236.074219 MB of memory in use. ENERGY: 4846600 4012.7923 20568.1512 14503.9271 242.3293 -203847.5317 3000.7164 0.0000 0.0000 52171.6400 -109347.9756 299.8311 -161519.6155 -108981.2017 299.2672 -9.1145 26.8079 760522.8136 9.1701 9.0649 PRESSURE: 4846800 133.112 185.503 5.21328 185.504 -14.3567 -162.906 5.2124 -162.907 97.8395 GPRESSURE: 4846800 189.635 199.036 18.4875 181.96 41.4031 -96.9949 -164.268 -112.063 47.7857 PRESSAVG: 4846800 -45.5281 24.0372 -40.5976 24.0372 30.3682 -17.0361 -40.5977 -17.0361 22.9204 GPRESSAVG: 4846800 -45.653 25.1772 -39.9301 23.1535 30.6362 -15.8416 -42.9773 -13.9245 23.371 TIMING: 4846800 CPU: 15133, 0.00310135/step Wall: 15133, 0.00310134/step, 0.131979 hours remaining, 236.074219 MB of memory in use. ENERGY: 4846800 3940.9211 20570.2575 14486.0516 229.4928 -203507.2132 2836.9563 0.0000 0.0000 52069.6466 -109373.8873 299.2450 -161443.5338 -109011.5352 299.2540 72.1982 92.9414 762856.5859 2.5868 2.7847 PRESSURE: 4847000 -186.29 57.2364 -110.811 57.2353 -321.17 -409.119 -110.811 -409.119 -247.027 GPRESSURE: 4847000 -220.898 109.285 -37.7952 39.7991 -192.119 -426.015 -134.089 -323.335 -259.569 PRESSAVG: 4847000 -4.34357 -2.55244 7.54948 -2.55243 46.5853 -81.6703 7.54941 -81.6704 7.78978 GPRESSAVG: 4847000 -4.48623 -4.32045 6.70768 -1.93466 47.2885 -82.9446 9.19721 -78.9962 7.11679 TIMING: 4847000 CPU: 15133.6, 0.00307964/step Wall: 15133.6, 0.00307964/step, 0.130885 hours remaining, 236.074219 MB of memory in use. ENERGY: 4847000 3975.0952 20772.4567 14458.1330 245.1557 -203274.6316 2659.0877 0.0000 0.0000 51995.7782 -109168.9251 298.8205 -161164.7034 -108815.2262 299.3096 -251.4957 -224.1952 763763.2045 16.6772 16.6397 PRESSURE: 4847200 148.325 -31.7667 -230.587 -31.7673 -44.4027 228.126 -230.587 228.126 -515.526 GPRESSURE: 4847200 193.573 -105.69 -250.581 -69.9876 -13.8642 185.895 -211.225 139.032 -485.658 PRESSAVG: 4847200 -9.60588 -4.203 -30.3316 -4.203 56.6168 -10.2021 -30.3316 -10.202 -26.2226 GPRESSAVG: 4847200 -8.75759 -3.63246 -30.5462 -3.93641 56.9598 -9.72084 -33.2212 -14.4817 -27.5377 TIMING: 4847200 CPU: 15134.2, 0.00309846/step Wall: 15134.2, 0.00309846/step, 0.131512 hours remaining, 236.074219 MB of memory in use. ENERGY: 4847200 4082.0913 20636.3944 14429.0974 243.8716 -203455.6991 2904.3989 0.0000 0.0000 52034.7785 -109125.0670 299.0446 -161159.8455 -108765.4002 299.8597 -137.2014 -101.9830 760871.4848 6.9294 6.8882 PRESSURE: 4847400 -51.568 205.764 -12.8205 205.764 215.216 -132.056 -12.8211 -132.056 80.9125 GPRESSURE: 4847400 -9.67238 118.869 -114.787 195.679 276.785 -67.5526 105.925 -67.0361 67.6043 PRESSAVG: 4847400 -14.1791 21.665 -24.6491 21.665 42.2331 -0.62699 -24.6491 -0.627021 10.1262 GPRESSAVG: 4847400 -14.8541 21.6296 -23.0974 22.303 42.0986 -0.0162186 -23.6606 2.63717 11.1473 TIMING: 4847400 CPU: 15134.8, 0.00310485/step Wall: 15134.8, 0.00310485/step, 0.131611 hours remaining, 236.074219 MB of memory in use. ENERGY: 4847400 4002.1864 20578.5049 14446.1766 258.5922 -203398.1168 2752.0985 0.0000 0.0000 52159.3127 -109201.2456 299.7603 -161360.5582 -108837.9599 299.8387 81.5201 111.5723 760499.0508 12.7267 12.7973 PRESSURE: 4847600 -10.9815 126.415 -60.6888 126.415 63.3568 -28.6949 -60.6892 -28.6956 -32.3827 GPRESSURE: 4847600 90.4482 28.8621 -106.988 17.2924 61.1701 -34.6311 91.2083 14.7134 -43.9786 PRESSAVG: 4847600 -93.8047 16.1241 -12.8687 16.1241 35.4152 9.32972 -12.8688 9.32965 -6.76401 GPRESSAVG: 4847600 -93.6771 14.8864 -14.0696 15.1674 35.6352 7.52864 -12.7761 6.83626 -7.26379 TIMING: 4847600 CPU: 15135.4, 0.00310801/step Wall: 15135.4, 0.00310801/step, 0.131572 hours remaining, 236.074219 MB of memory in use. ENERGY: 4847600 3929.1256 20702.0810 14390.9277 253.9778 -203326.6922 2735.0948 0.0000 0.0000 51967.6864 -109347.7988 298.6590 -161315.4852 -108982.8804 299.1562 6.6642 35.8799 761380.4088 -21.7178 -21.7686 PRESSURE: 4847800 -68.4973 -11.4348 -71.0655 -11.4351 177.375 93.6046 -71.0651 93.605 -65.0582 GPRESSURE: 4847800 -35.9306 9.90118 -10.738 45.6898 160.809 139.584 18.1309 183.994 -10.985 PRESSAVG: 4847800 20.7411 -27.688 -17.2951 -27.6879 1.76457 41.3261 -17.2951 41.3261 -11.9296 GPRESSAVG: 4847800 19.6715 -26.8329 -16.2217 -26.6949 1.32335 41.7197 -17.07 42.808 -10.5637 TIMING: 4847800 CPU: 15136.1, 0.00309908/step Wall: 15136.1, 0.00309908/step, 0.131022 hours remaining, 236.074219 MB of memory in use. ENERGY: 4847800 3989.0410 20728.1076 14506.1882 226.4673 -203104.2795 2459.8591 0.0000 0.0000 51972.7638 -109221.8526 298.6882 -161194.6164 -108860.7283 299.5314 14.6064 37.9645 761008.7421 3.5254 3.4771 PRESSURE: 4848000 -367.299 -169.697 -186.832 -169.696 -344.357 17.5422 -186.833 17.5414 -122.916 GPRESSURE: 4848000 -323.216 -245.37 -117.451 -132.217 -249.819 54.0075 -144.069 -12.5996 -173.774 PRESSAVG: 4848000 -6.29349 -42.3709 44.659 -42.3708 -16.408 10.8334 44.659 10.8334 -12.6669 GPRESSAVG: 4848000 -4.48161 -39.3498 44.4055 -44.4878 -16.9849 11.2577 46.4209 11.698 -13.7549 TIMING: 4848000 CPU: 15136.7, 0.0030861/step Wall: 15136.7, 0.0030861/step, 0.130302 hours remaining, 236.074219 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: 4848000 4019.0735 20615.8284 14464.8529 245.2965 -202854.4740 2303.2260 0.0000 0.0000 51943.8069 -109262.3898 298.5218 -161206.1967 -108898.3012 299.5569 -278.1908 -248.9365 763437.5719 -11.7895 -11.7405 PRESSURE: 4848200 -150.369 12.9576 91.7648 12.9579 -27.0103 121.123 91.7647 121.123 -377.225 GPRESSURE: 4848200 -244.877 123.244 242.139 -96.2306 93.0325 150.238 151.409 83.5219 -302.732 PRESSAVG: 4848200 33.1426 -76.6221 -25.0664 -76.6219 34.1119 43.5312 -25.0664 43.5312 -5.8716 GPRESSAVG: 4848200 32.6537 -80.4692 -25.176 -75.936 34.0238 44.4051 -26.3552 42.2748 -5.58921 TIMING: 4848200 CPU: 15137.3, 0.00309722/step Wall: 15137.3, 0.00309722/step, 0.130599 hours remaining, 236.074219 MB of memory in use. ENERGY: 4848200 4056.5529 20457.7901 14513.0868 231.7780 -203499.7902 2699.7720 0.0000 0.0000 52159.7041 -109381.1063 299.7625 -161540.8104 -109025.0646 299.2845 -184.8680 -151.5257 762584.3200 20.4610 20.3627 LDB: ============= START OF LOAD BALANCING ============== 15149.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15149.8 LDB: =============== DONE WITH MIGRATION ================ 15149.8 LDB: ============= START OF LOAD BALANCING ============== 15150.1 LDB: Largest compute 7028 load 0.032501 is 16.6% of average load 0.195293 LDB: Average compute 0.004396 is 2.3% of average load 0.195293 LDB: TIME 15150.1 LOAD: AVG 0.195293 MAX 0.214863 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.281 MB LDB: TIME 15150.1 LOAD: AVG 0.195293 MAX 0.214863 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.281 MB LDB: TIME 15150.1 LOAD: AVG 0.195293 MAX 0.214863 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.281 MB LDB: ============== END OF LOAD BALANCING =============== 15150.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15150.1 PRESSURE: 4848400 -21.631 -96.2464 -178.352 -96.2457 -182.478 170.285 -178.352 170.286 225.826 GPRESSURE: 4848400 27.3636 -34.3358 -176.585 -179.84 -170.619 115.564 -202.849 135.809 233.169 PRESSAVG: 4848400 6.98766 -22.8478 -1.02152 -22.8479 22.5274 26.7669 -1.02155 26.767 2.27849 GPRESSAVG: 4848400 7.27507 -18.9561 0.70502 -21.6348 22.9266 25.8556 -1.65705 25.9219 1.6851 TIMING: 4848400 CPU: 15137.9, 0.00316777/step Wall: 15137.9, 0.00316777/step, 0.133398 hours remaining, 235.531250 MB of memory in use. ENERGY: 4848400 3940.1315 20717.9949 14496.6762 256.3516 -203192.7781 2678.3598 0.0000 0.0000 51774.6279 -109328.6361 297.5495 -161103.2640 -108971.7786 299.3001 7.2389 29.9714 764494.1869 10.5978 10.6289 PRESSURE: 4848600 7.59628 162.07 -1.27181 162.069 399.83 7.83847 -1.27108 7.83787 -173.089 GPRESSURE: 4848600 126.021 51.699 -7.09006 -17.9952 381.058 -56.3417 -91.497 7.29695 -195.321 PRESSAVG: 4848600 25.1918 24.9865 -13.1188 24.9865 -51.4391 9.31791 -13.1187 9.31792 -14.9559 GPRESSAVG: 4848600 26.2514 21.4742 -15.6268 25.0749 -52.405 9.02456 -13.57 12.281 -14.8124 TIMING: 4848600 CPU: 15138.6, 0.00308278/step Wall: 15138.6, 0.00308278/step, 0.129648 hours remaining, 235.734375 MB of memory in use. ENERGY: 4848600 3981.6773 20587.4012 14384.6992 247.0960 -203791.6378 3008.2162 0.0000 0.0000 52297.6712 -109284.8768 300.5554 -161582.5479 -108918.8426 299.8292 78.1123 103.9196 762933.1715 -13.7344 -13.6553 PRESSURE: 4848800 -568.367 -48.5775 41.7997 -48.5778 -176.176 118.299 41.7998 118.298 110.954 GPRESSURE: 4848800 -493.929 -67.4383 78.2681 36.5708 -187.025 150.099 99.6307 197.159 143.443 PRESSAVG: 4848800 -16.3535 26.4098 -40.6506 26.4099 -28.945 7.97306 -40.6506 7.97309 -23.8331 GPRESSAVG: 4848800 -17.8897 28.172 -41.7405 25.3861 -27.2981 6.46855 -40.8298 5.6263 -24.7533 TIMING: 4848800 CPU: 15139.2, 0.00309826/step Wall: 15139.2, 0.00309826/step, 0.130127 hours remaining, 236.078125 MB of memory in use. ENERGY: 4848800 3972.4487 20631.6265 14447.7610 254.1717 -203290.9352 2652.6010 0.0000 0.0000 52105.7946 -109226.5316 299.4527 -161332.3262 -108857.7578 299.7942 -211.1963 -179.1703 764531.6342 -23.0439 -23.3137 PRESSURE: 4849000 4.22845 -29.5521 74.3444 -29.5518 -302.101 -141.023 74.3447 -141.022 -54.3884 GPRESSURE: 4849000 60.7256 72.7862 86.0812 -71.6139 -248.479 -133.08 13.7559 4.60567 -79.9992 PRESSAVG: 4849000 4.16461 9.26313 -22.8127 9.26316 18.9883 33.0457 -22.8127 33.0457 -19.0205 GPRESSAVG: 4849000 5.02969 9.12813 -21.42 10.9678 17.8002 35.8125 -22.4178 34.0393 -19.6675 TIMING: 4849000 CPU: 15139.8, 0.00309543/step Wall: 15139.8, 0.00309543/step, 0.129836 hours remaining, 236.078125 MB of memory in use. ENERGY: 4849000 3996.6895 20672.9648 14469.9863 256.2519 -203084.5420 2425.4720 0.0000 0.0000 52082.4941 -109180.6834 299.3188 -161263.1775 -108827.1242 299.4061 -117.4204 -89.2508 764288.3703 1.3775 1.0541 PRESSURE: 4849200 -157.825 69.5425 -206.016 69.5408 416.208 -182.964 -206.015 -182.964 -159.941 GPRESSURE: 4849200 -254.082 60.2287 -200.203 159.339 523.467 -192.395 -91.1886 -114.875 -67.3786 PRESSAVG: 4849200 21.4657 38.5866 -33.5829 38.5866 -24.6388 24.2932 -33.5829 24.2932 -6.64695 GPRESSAVG: 4849200 21.041 36.988 -33.3938 38.7362 -25.8491 23.8054 -34.8173 24.5747 -4.58933 TIMING: 4849200 CPU: 15140.4, 0.0030979/step Wall: 15140.4, 0.0030979/step, 0.129767 hours remaining, 236.078125 MB of memory in use. ENERGY: 4849200 3992.9630 20607.8370 14429.5455 245.3432 -203294.1676 2555.7900 0.0000 0.0000 52232.3329 -109230.3560 300.1799 -161462.6889 -108860.7779 299.3873 32.8137 67.3352 761792.9950 -3.2734 -3.1325 PRESSURE: 4849400 97.6553 37.5375 4.47616 37.5378 -319.724 197.63 4.47598 197.629 -311.296 GPRESSURE: 4849400 66.1772 -6.82949 -144.045 -2.04143 -240.222 100.685 -25.0384 203.162 -269.636 PRESSAVG: 4849400 -34.6568 -0.863208 25.6078 -0.86321 13.732 57.5683 25.6078 57.5683 -0.2234 GPRESSAVG: 4849400 -33.9934 1.01774 25.8551 -2.79098 15.2876 56.1497 26.3325 58.4674 -2.18608 TIMING: 4849400 CPU: 15141, 0.00310133/step Wall: 15141, 0.00310133/step, 0.129739 hours remaining, 236.078125 MB of memory in use. ENERGY: 4849400 4069.8196 20720.0700 14400.6929 223.4319 -203482.2464 2889.0101 0.0000 0.0000 52123.2456 -109055.9763 299.5530 -161179.2219 -108688.8391 299.8292 -177.7885 -147.8937 765236.6267 -7.0494 -6.9640 PRESSURE: 4849600 117.836 287.624 -113.423 287.624 134.348 170.337 -113.423 170.337 320.004 GPRESSURE: 4849600 207.009 228.781 -85.2307 193.826 159.106 103.724 -62.3895 275.44 269.79 PRESSAVG: 4849600 -5.48073 -7.82342 7.15367 -7.82341 10.3145 17.4119 7.15373 17.4119 17.0576 GPRESSAVG: 4849600 -5.09314 -9.32426 9.18883 -7.13569 10.638 16.9008 5.52766 18.3892 16.2029 TIMING: 4849600 CPU: 15141.6, 0.00309697/step Wall: 15141.6, 0.00309697/step, 0.129385 hours remaining, 236.078125 MB of memory in use. ENERGY: 4849600 3956.0397 20517.4344 14394.5278 271.1033 -202949.0440 2584.1953 0.0000 0.0000 52059.9590 -109165.7846 299.1893 -161225.7436 -108796.9259 299.6462 190.7294 211.9681 763213.6492 7.2971 7.2492 PRESSURE: 4849800 -266.312 44.2399 -218.833 44.2403 -290.203 31.8773 -218.834 31.877 43.2112 GPRESSURE: 4849800 -291.248 62.7848 -88.9887 28.1427 -177.364 102.35 -199.028 20.4431 31.0408 PRESSAVG: 4849800 -43.5112 27.5367 -36.687 27.5366 64.3116 9.65965 -36.6869 9.65967 -6.52576 GPRESSAVG: 4849800 -44.5153 28.7174 -38.3045 27.0469 63.4772 12.6215 -36.0651 6.99436 -4.75111 TIMING: 4849800 CPU: 15142.3, 0.00308638/step Wall: 15142.3, 0.00308638/step, 0.128771 hours remaining, 236.078125 MB of memory in use. ENERGY: 4849800 4029.1898 20553.1513 14430.1558 257.2872 -203179.9493 2723.7250 0.0000 0.0000 52040.5500 -109145.8901 299.0778 -161186.4401 -108775.4537 299.6293 -171.1011 -145.8572 762846.6991 4.7582 4.7369 PRESSURE: 4850000 125.286 56.0614 -125.607 56.0614 -26.1404 -48.1509 -125.607 -48.1521 65.304 GPRESSURE: 4850000 161.98 116.674 -172.522 -6.17973 42.268 -73.735 -92.0901 -20.0958 46.4207 PRESSAVG: 4850000 -25.1204 6.48551 -19.8917 6.48544 37.0144 10.4464 -19.8917 10.4463 -1.266 GPRESSAVG: 4850000 -24.7158 6.67454 -20.4675 8.70821 37.2281 8.63891 -19.1698 10.735 -1.41208 TIMING: 4850000 CPU: 15142.9, 0.00308453/step Wall: 15142.9, 0.00308453/step, 0.128522 hours remaining, 236.078125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4850000 3995.3869 20628.2867 14421.6671 253.3421 -203284.4130 2641.5642 0.0000 0.0000 52323.5398 -109020.6263 300.7041 -161344.1660 -108656.5558 299.8053 54.8165 83.5561 761576.4729 3.5427 3.7001 PRESSURE: 4850200 393.4 164.482 -200.457 164.482 327.769 -32.6103 -200.457 -32.6096 331.351 GPRESSURE: 4850200 346.855 129.395 -223.27 97.3541 355.39 -16.3514 -61.3428 -182.852 437.835 PRESSAVG: 4850200 2.00389 -11.9791 3.56661 -11.9791 55.7196 -29.1614 3.56659 -29.1614 -1.40306 GPRESSAVG: 4850200 2.61236 -15.4073 2.08046 -10.9918 54.7618 -30.2741 4.08056 -28.4978 -1.01698 TIMING: 4850200 CPU: 15143.5, 0.00309609/step Wall: 15143.5, 0.00309609/step, 0.128832 hours remaining, 236.078125 MB of memory in use. ENERGY: 4850200 3974.1270 20646.8911 14478.0719 269.6784 -203403.5395 2857.9935 0.0000 0.0000 52107.6641 -109069.1135 299.4635 -161176.7776 -108705.6214 300.2391 350.8400 380.0268 760713.9743 18.7735 18.7857 PRESSURE: 4850400 157.323 -5.47838 140.403 -5.47916 34.5945 64.1352 140.402 64.1354 -45.8309 GPRESSURE: 4850400 159.797 3.45931 102.528 -70.3219 160.959 77.4693 217.795 100.17 -86.8008 PRESSAVG: 4850400 -31.8584 -8.30969 28.6132 -8.30966 18.9559 -32.3896 28.6133 -32.3896 32.6389 GPRESSAVG: 4850400 -32.6126 -5.4383 30.9186 -9.15525 19.2346 -32.8229 29.909 -30.7307 32.3826 TIMING: 4850400 CPU: 15144.1, 0.00309957/step Wall: 15144.1, 0.00309957/step, 0.128805 hours remaining, 236.078125 MB of memory in use. ENERGY: 4850400 4011.6053 20641.7998 14447.8097 249.0153 -203528.2506 2854.5317 0.0000 0.0000 52159.5495 -109163.9392 299.7616 -161323.4887 -108802.4568 300.2571 48.6956 77.9849 763323.9206 6.5788 6.3349 PRESSURE: 4850600 -130.284 156.277 97.9282 156.276 -42.7819 -70.4127 97.9284 -70.4145 -378.495 GPRESSURE: 4850600 -148.974 137.974 8.22966 21.1448 24.7327 -79.1291 93.8111 -96.5586 -336.849 PRESSAVG: 4850600 -48.0039 -58.6847 43.0507 -58.6848 13.8151 -54.7303 43.0507 -54.7303 -8.24176 GPRESSAVG: 4850600 -48.7717 -58.5038 41.8316 -59.4573 14.0508 -53.2977 43.047 -57.7813 -7.74827 TIMING: 4850600 CPU: 15144.7, 0.00309934/step Wall: 15144.7, 0.00309934/step, 0.128623 hours remaining, 236.078125 MB of memory in use. ENERGY: 4850600 4088.9625 20627.3456 14465.4246 245.4773 -203126.4312 2489.0123 0.0000 0.0000 51920.4877 -109289.7212 298.3878 -161210.2089 -108929.0898 299.8739 -183.8537 -153.6966 762127.9287 -14.1435 -14.1564 PRESSURE: 4850800 -343.025 -29.6951 -222.141 -29.696 -160.6 83.8873 -222.141 83.8875 -176.47 GPRESSURE: 4850800 -384.985 -4.30348 -326.236 -65.0432 -40.2218 68.4151 -213.06 73.8664 -203.911 PRESSAVG: 4850800 -13.6888 -28.8835 -13.6024 -28.8836 1.79764 -19.0264 -13.6024 -19.0265 9.68167 GPRESSAVG: 4850800 -12.2087 -27.6189 -14.5255 -30.9236 1.56144 -20.6518 -15.4097 -17.0695 8.75455 TIMING: 4850800 CPU: 15145.4, 0.00309816/step Wall: 15145.4, 0.00309816/step, 0.128401 hours remaining, 236.078125 MB of memory in use. ENERGY: 4850800 4039.8055 20603.7031 14337.5767 249.1873 -203599.5361 2719.9858 0.0000 0.0000 52212.5884 -109436.6894 300.0665 -161649.2778 -109067.9861 299.3426 -226.6984 -209.7057 763112.1400 -0.7365 -0.6309 PRESSURE: 4851000 196.754 -172.915 -50.2641 -172.915 -62.3772 -308.495 -50.2648 -308.495 -12.336 GPRESSURE: 4851000 113.915 -155.487 -19.9312 -130.787 82.3114 -309.867 42.6057 -249.597 -11.9268 PRESSAVG: 4851000 -25.7162 -22.6585 -19.4593 -22.6585 65.7719 15.0169 -19.4593 15.0168 -5.942 GPRESSAVG: 4851000 -26.8896 -24.7018 -16.7938 -20.2616 67.0437 14.7523 -20.3671 13.6539 -5.77054 TIMING: 4851000 CPU: 15146, 0.00309452/step Wall: 15146, 0.00309452/step, 0.128079 hours remaining, 236.078125 MB of memory in use. ENERGY: 4851000 4024.6326 20626.1157 14386.1816 236.2848 -204164.6571 3136.1006 0.0000 0.0000 52236.0902 -109519.2516 300.2015 -161755.3418 -109160.2704 299.1276 40.6802 61.4332 762559.6542 11.3712 11.4612 PRESSURE: 4851200 105.217 42.4625 -9.16639 42.4633 -211.375 -66.9318 -9.16619 -66.9315 -128.66 GPRESSURE: 4851200 98.0705 15.2931 -102.877 -20.1786 -74.2527 3.71053 158.59 -89.5512 -161.211 PRESSAVG: 4851200 -23.34 -30.6922 -1.87571 -30.6923 27.6084 -1.52001 -1.87577 -1.51991 1.9634 GPRESSAVG: 4851200 -23.3036 -28.3841 -4.46334 -34.4702 27.0444 -0.369694 0.0995747 -1.10927 2.25561 TIMING: 4851200 CPU: 15146.6, 0.0030896/step Wall: 15146.6, 0.0030896/step, 0.127704 hours remaining, 236.078125 MB of memory in use. ENERGY: 4851200 4021.3615 20722.7886 14428.6980 249.2647 -203606.8287 2754.8650 0.0000 0.0000 52010.9621 -109418.8889 298.9077 -161429.8510 -109049.3209 299.2933 -78.2730 -45.7977 762284.1422 2.0773 1.9988 PRESSURE: 4851400 -34.4023 -184.519 -75.2638 -184.518 -340.698 -259.558 -75.2645 -259.558 55.3846 GPRESSURE: 4851400 3.96725 -275.943 -21.9627 -81.086 -285.713 -180.592 -10.1915 -199.378 59.483 PRESSAVG: 4851400 -55.0478 -44.7313 51.4981 -44.7313 19.4624 -24.9005 51.498 -24.9005 10.8605 GPRESSAVG: 4851400 -54.1041 -44.5636 52.7336 -41.3479 19.068 -23.7921 51.9649 -24.3929 10.428 TIMING: 4851400 CPU: 15147.2, 0.00309635/step Wall: 15147.2, 0.00309635/step, 0.12781 hours remaining, 236.078125 MB of memory in use. ENERGY: 4851400 4058.5333 20573.4836 14398.9601 234.2867 -203384.0024 2652.6802 0.0000 0.0000 52075.7286 -109390.3300 299.2799 -161466.0586 -109027.3284 298.9964 -106.5718 -74.0877 763315.4717 -8.2417 -8.2027 PRESSURE: 4851600 -191.628 -174.962 12.1659 -174.962 71.7595 -1.06184 12.1665 -1.06129 -91.1891 GPRESSURE: 4851600 -158.884 -103.066 109.862 -118.786 92.8402 30.2088 108.6 -126.324 -51.371 PRESSAVG: 4851600 -12.3673 7.03484 33.2951 7.03483 51.4102 24.009 33.2951 24.0089 -1.75279 GPRESSAVG: 4851600 -12.0874 6.97996 32.3345 6.32555 50.2436 22.2242 34.7035 25.0822 -0.7227 TIMING: 4851600 CPU: 15147.8, 0.00311594/step Wall: 15147.8, 0.00311594/step, 0.128446 hours remaining, 236.078125 MB of memory in use. ENERGY: 4851600 4073.8725 20498.3939 14479.6386 245.3104 -203446.5786 2831.1974 0.0000 0.0000 51918.1719 -109399.9938 298.3744 -161318.1657 -109041.5369 299.5713 -70.3525 -39.1384 762346.9870 12.4300 12.4778 PRESSURE: 4851800 -340.711 8.46501 -47.336 8.46557 86.5294 -88.9079 -47.3351 -88.9085 -232.997 GPRESSURE: 4851800 -191.918 -111.685 -52.0974 -28.1481 -39.5352 -49.26 -60.8371 -131.558 -176.594 PRESSAVG: 4851800 -27.3553 -42.7785 46.931 -42.7784 20.8079 -52.319 46.9311 -52.319 15.6105 GPRESSAVG: 4851800 -27.3958 -43.6175 48.5876 -42.5084 22.0771 -53.9752 43.666 -54.3392 14.0237 TIMING: 4851800 CPU: 15148.5, 0.00311125/step Wall: 15148.5, 0.00311125/step, 0.12808 hours remaining, 236.078125 MB of memory in use. ENERGY: 4851800 4017.9808 20668.7865 14524.3640 264.2415 -203296.8792 2614.6208 0.0000 0.0000 51929.1712 -109277.7144 298.4377 -161206.8856 -108918.5359 299.5472 -162.3931 -136.0157 762975.5332 3.0210 2.9016 PRESSURE: 4852000 -143.468 -18.3262 -12.2629 -18.3262 -163.897 193.334 -12.2627 193.335 -277.72 GPRESSURE: 4852000 -132.675 -148.513 31.1253 -102.054 -163.664 202.88 -86.9718 146.076 -213.085 PRESSAVG: 4852000 17.2914 -40.2995 -18.1648 -40.2995 17.6616 -0.810018 -18.1648 -0.810072 14.6324 GPRESSAVG: 4852000 18.0374 -41.1512 -17.8191 -40.0422 16.7172 -0.292575 -19.4578 0.878309 15.0609 TIMING: 4852000 CPU: 15149.1, 0.00311021/step Wall: 15149.1, 0.00311021/step, 0.127864 hours remaining, 236.078125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4852000 4030.2293 20858.0905 14484.8639 242.3570 -203218.0490 2418.0266 0.0000 0.0000 51971.9346 -109212.5471 298.6834 -161184.4817 -108848.9038 299.8999 -195.0285 -169.8080 762110.3718 16.5285 16.6052 PRESSURE: 4852200 211.027 72.3447 -126.508 72.3454 15.1035 319.693 -126.508 319.692 -159.707 GPRESSURE: 4852200 195.785 102.765 -232.232 62.8063 93.8811 280.592 -131.661 212.615 -160.028 PRESSAVG: 4852200 6.89952 -19.2595 -23.9154 -19.2595 12.676 -51.7097 -23.9154 -51.7097 22.7519 GPRESSAVG: 4852200 6.08882 -18.9455 -24.8721 -19.2546 13.2789 -49.831 -22.1008 -52.6447 22.8825 TIMING: 4852200 CPU: 15149.7, 0.00309697/step Wall: 15149.7, 0.00309697/step, 0.127148 hours remaining, 236.078125 MB of memory in use. ENERGY: 4852200 3987.0107 20674.5097 14380.0998 249.6559 -203386.5646 2875.9025 0.0000 0.0000 51956.9730 -109262.4132 298.5974 -161219.3861 -108895.3500 299.7216 22.1412 43.2128 763006.1974 14.1091 14.0834 LDB: ============= START OF LOAD BALANCING ============== 15162.2 LDB: ============== END OF LOAD BALANCING =============== 15162.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15162.2 LDB: ============= START OF LOAD BALANCING ============== 15162.5 LDB: Largest compute 7047 load 0.030563 is 15.7% of average load 0.195219 LDB: Average compute 0.004387 is 2.2% of average load 0.195219 LDB: TIME 15162.5 LOAD: AVG 0.195219 MAX 0.21368 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.973 MB LDB: TIME 15162.5 LOAD: AVG 0.195219 MAX 0.21368 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.973 MB LDB: TIME 15162.5 LOAD: AVG 0.195219 MAX 0.21368 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.973 MB LDB: ============== END OF LOAD BALANCING =============== 15162.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15162.5 PRESSURE: 4852400 57.7188 -75.9754 -143.1 -75.9744 -212.241 102.635 -143.1 102.635 -85.3533 GPRESSURE: 4852400 71.589 -110.792 -72.2675 -163.349 -152.558 42.1471 -127.957 -47.7213 -87.6242 PRESSAVG: 4852400 10.7088 -1.31394 -1.17735 -1.31397 -27.9057 -22.7788 -1.17739 -22.7788 15.0832 GPRESSAVG: 4852400 10.2592 -0.612763 -1.0324 -4.72884 -26.7272 -25.9537 -1.95952 -23.208 14.1912 TIMING: 4852400 CPU: 15150.3, 0.00318574/step Wall: 15150.3, 0.00318574/step, 0.130615 hours remaining, 233.750000 MB of memory in use. ENERGY: 4852400 3980.1487 20546.7504 14463.8650 260.6794 -203549.4354 2757.0108 0.0000 0.0000 52115.3207 -109425.6604 299.5075 -161540.9812 -109060.8524 299.0327 -79.9584 -56.1977 764394.6542 -0.7046 -0.7589 PRESSURE: 4852600 -3.14293 -1.86901 -90.1103 -1.86937 -446.934 -285.665 -90.1108 -285.664 -36.7426 GPRESSURE: 4852600 58.662 -86.4429 -45.8129 -58.994 -428.826 -279.787 -70.724 -326.324 -23.7269 PRESSAVG: 4852600 -17.8561 -33.3422 30.651 -33.3422 20.5223 -32.7401 30.6509 -32.7401 -22.8887 GPRESSAVG: 4852600 -17.2726 -32.8106 30.4304 -31.5113 19.5467 -30.2309 33.1336 -34.1823 -22.186 TIMING: 4852600 CPU: 15151, 0.00309929/step Wall: 15151, 0.00309929/step, 0.126899 hours remaining, 233.875000 MB of memory in use. ENERGY: 4852600 3976.5464 20684.7190 14448.0394 268.2581 -203011.6716 2459.4312 0.0000 0.0000 52034.5012 -109140.1764 299.0430 -161174.6776 -108790.2377 299.4293 -162.2731 -131.2969 762513.0859 -6.7408 -6.6373 PRESSURE: 4852800 -133.996 -254.065 64.1183 -254.065 157.688 4.22086 64.1193 4.22136 178.089 GPRESSURE: 4852800 -112.119 -152.76 79.6487 -173.254 229.596 10.1902 24.7341 -22.2677 149.76 PRESSAVG: 4852800 21.3724 -2.07807 -19.119 -2.07807 -19.5574 7.78821 -19.119 7.78823 -21.4724 GPRESSAVG: 4852800 20.9248 -3.07111 -20.8669 -0.048461 -18.9798 6.46802 -19.3339 9.32239 -21.4483 TIMING: 4852800 CPU: 15151.6, 0.00309698/step Wall: 15151.6, 0.00309698/step, 0.126632 hours remaining, 233.875000 MB of memory in use. ENERGY: 4852800 3997.9165 20369.1124 14395.4500 244.1665 -203176.8776 2883.2683 0.0000 0.0000 51836.9258 -109450.0381 297.9075 -161286.9639 -109081.5899 298.8705 67.2604 89.0792 764197.6963 -6.5524 -6.5011 PRESSURE: 4853000 -5.11456 88.624 -119.336 88.6252 290.05 -119.99 -119.337 -119.99 352.405 GPRESSURE: 4853000 72.07 54.5049 -23.4248 83.458 274.195 -34.0058 -146.967 -133.16 356.503 PRESSAVG: 4853000 -41.0626 -46.015 -12.8919 -46.015 60.6352 -33.3121 -12.8919 -33.3121 -8.06188 GPRESSAVG: 4853000 -40.9976 -45.5219 -10.5948 -46.4352 59.3454 -33.7435 -14.9162 -31.827 -7.31688 TIMING: 4853000 CPU: 15152.2, 0.0030962/step Wall: 15152.2, 0.0030962/step, 0.126428 hours remaining, 233.875000 MB of memory in use. ENERGY: 4853000 3980.0035 20534.5706 14338.4903 239.4847 -203283.8444 2959.3216 0.0000 0.0000 52130.0467 -109101.9271 299.5921 -161231.9737 -108740.2560 299.2496 212.4465 234.2560 762325.7003 3.8369 3.6770 PRESSURE: 4853200 174.922 158.033 -109.374 158.034 228.816 -100.964 -109.373 -100.964 692.726 GPRESSURE: 4853200 262.216 119.854 -129.897 195.951 210.458 -118.098 -154.663 63.0997 703.798 PRESSAVG: 4853200 -16.1351 -80.7129 -28.0039 -80.7129 38.2108 34.3952 -28.004 34.3953 -6.74893 GPRESSAVG: 4853200 -14.4677 -81.831 -28.0221 -81.0828 38.2658 34.9937 -26.9825 34.948 -8.17057 TIMING: 4853200 CPU: 15152.8, 0.00308154/step Wall: 15152.8, 0.00308154/step, 0.125658 hours remaining, 233.875000 MB of memory in use. ENERGY: 4853200 3938.0000 20653.5295 14416.6305 242.6317 -203082.9470 2597.4101 0.0000 0.0000 52225.9616 -109008.7836 300.1433 -161234.7452 -108654.1631 300.4406 365.4881 392.1575 761927.8221 5.1089 5.2092 PRESSURE: 4853400 -336.656 -125.194 158.694 -125.194 -419.805 -111.397 158.694 -111.396 -39.8569 GPRESSURE: 4853400 -268.791 -109.352 113.705 -109.165 -369.134 -61.5555 106.02 -94.4106 -56.7877 PRESSAVG: 4853400 -31.4647 -48.3657 43.2178 -48.3657 63.8045 13.3006 43.2178 13.3005 0.330396 GPRESSAVG: 4853400 -33.2831 -46.4978 43.7358 -50.4467 65.5567 12.0582 43.8103 13.4053 0.585204 TIMING: 4853400 CPU: 15153.4, 0.00310836/step Wall: 15153.4, 0.00310836/step, 0.126579 hours remaining, 233.875000 MB of memory in use. ENERGY: 4853400 4008.2305 20417.7484 14386.7932 266.7134 -202748.7025 2327.1868 0.0000 0.0000 52072.1141 -109269.9161 299.2592 -161342.0302 -108901.8456 300.1558 -265.4395 -231.5707 762515.9852 10.8900 10.9530 PRESSURE: 4853600 -118.523 20.6116 202.254 20.6105 -38.0757 78.2947 202.254 78.2941 -244.487 GPRESSURE: 4853600 -33.9733 61.5117 319.198 37.2381 -88.2496 131.233 240.309 -8.82911 -189.605 PRESSAVG: 4853600 -58.7974 -28.153 78.9321 -28.1531 64.9684 14.6468 78.932 14.6468 19.7979 GPRESSAVG: 4853600 -57.3768 -28.8354 77.6816 -28.2516 63.8319 15.1209 79.2281 12.3135 19.7846 TIMING: 4853600 CPU: 15154.1, 0.0030897/step Wall: 15154.1, 0.0030897/step, 0.125648 hours remaining, 233.875000 MB of memory in use. ENERGY: 4853600 3972.1912 20426.8996 14403.4353 226.6846 -203527.4868 2856.3748 0.0000 0.0000 52299.7664 -109342.1348 300.5675 -161641.9013 -108972.3988 299.0619 -133.6952 -103.9426 762987.4351 8.6563 8.7466 PRESSURE: 4853800 -298.443 -280.969 -138.436 -280.969 -156.183 67.4874 -138.437 67.4877 -178.225 GPRESSURE: 4853800 -192.765 -157.102 -139.776 -324.208 -220.089 82.5038 -57.7523 145.112 -139.604 PRESSAVG: 4853800 7.61677 -11.7282 18.4089 -11.7282 -24.3139 18.0042 18.4089 18.0041 -9.47156 GPRESSAVG: 4853800 6.89122 -11.4347 18.2398 -12.4299 -23.5338 17.7588 17.0141 17.7546 -9.82084 TIMING: 4853800 CPU: 15154.7, 0.00310349/step Wall: 15154.7, 0.00310349/step, 0.126036 hours remaining, 233.875000 MB of memory in use. ENERGY: 4853800 3932.8986 20543.6134 14438.0356 242.7860 -202633.6172 2285.7166 0.0000 0.0000 51818.4463 -109372.1207 297.8013 -161190.5670 -109013.4844 299.1416 -210.9504 -184.1528 764741.1812 -8.7229 -8.8211 PRESSURE: 4854000 -218.086 92.7097 23.344 92.7095 -327.303 -214.862 23.3431 -214.862 -334.216 GPRESSURE: 4854000 -208.907 29.7398 -5.05252 92.1731 -267.184 -181.159 125.524 -152.051 -316.03 PRESSAVG: 4854000 9.0315 -24.1018 37.3642 -24.1018 -19.6452 22.0601 37.3642 22.0601 6.98207 GPRESSAVG: 4854000 10.4363 -24.231 37.4381 -21.4902 -21.1091 21.54 38.0181 21.7722 7.00374 TIMING: 4854000 CPU: 15155.3, 0.00309237/step Wall: 15155.3, 0.00309237/step, 0.125413 hours remaining, 233.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4854000 3949.7486 20445.2268 14425.5780 251.1297 -203117.6949 2510.2202 0.0000 0.0000 52157.6938 -109378.0979 299.7510 -161535.7917 -109015.3345 299.2421 -293.2016 -264.0401 763781.1931 -1.2105 -1.2230 PRESSURE: 4854200 -124.976 -229.408 -110.211 -229.408 -82.8278 14.4928 -110.211 14.4931 534.517 GPRESSURE: 4854200 -155.329 -145.256 -117.761 -90.8918 -8.62301 24.667 -80.1059 11.7888 559.546 PRESSAVG: 4854200 65.1186 21.9931 0.683331 21.9931 -62.4171 38.4054 0.683343 38.4055 -17.7068 GPRESSAVG: 4854200 62.8793 21.2758 1.12522 20.3901 -60.8833 39.9007 1.13171 37.2756 -17.1798 TIMING: 4854200 CPU: 15155.9, 0.00309986/step Wall: 15155.9, 0.00309986/step, 0.125544 hours remaining, 233.875000 MB of memory in use. ENERGY: 4854200 3990.9107 20475.6986 14439.0199 250.9309 -203287.8340 2782.9216 0.0000 0.0000 52130.3514 -109218.0008 299.5938 -161348.3523 -108848.9597 299.1275 108.9045 131.8648 762963.0898 -5.0018 -5.0613 PRESSURE: 4854400 -256.878 303.098 49.7663 303.098 152.759 -74.1545 49.767 -74.1544 131.772 GPRESSURE: 4854400 -83.349 195.542 73.4889 261.014 97.9451 -58.3801 -165.691 -128.088 99.6528 PRESSAVG: 4854400 66.7505 -60.9983 -13.2967 -60.9983 -36.7408 7.04548 -13.2967 7.04545 8.19403 GPRESSAVG: 4854400 67.9828 -62.1138 -13.6839 -58.571 -37.6098 6.82513 -14.8209 9.48499 8.42221 TIMING: 4854400 CPU: 15156.5, 0.00310331/step Wall: 15156.5, 0.00310331/step, 0.125512 hours remaining, 233.875000 MB of memory in use. ENERGY: 4854400 3931.6689 20600.0059 14442.6043 251.6656 -203019.9492 2485.2229 0.0000 0.0000 52060.7664 -109248.0154 299.1939 -161308.7817 -108888.5916 299.4878 9.2178 38.0830 762653.8197 12.7346 12.9318 PRESSURE: 4854600 5.77857 -124.477 -23.4292 -124.475 -397.315 -147.744 -23.4292 -147.744 -99.7603 GPRESSURE: 4854600 16.2604 -115.199 21.2869 -84.7552 -301.622 -248.99 -110.604 -103.095 -111.12 PRESSAVG: 4854600 42.4425 -45.9746 -15.0562 -45.9746 -46.7944 50.797 -15.0563 50.7969 3.7383 GPRESSAVG: 4854600 42.094 -43.3231 -15.01 -49.4981 -46.296 48.9644 -14.3988 49.8967 3.42764 TIMING: 4854600 CPU: 15157.2, 0.00309652/step Wall: 15157.2, 0.00309652/step, 0.125065 hours remaining, 233.875000 MB of memory in use. ENERGY: 4854600 4043.6629 20546.0946 14491.6066 245.6671 -202722.3237 2365.0557 0.0000 0.0000 51955.8016 -109074.4351 298.5907 -161030.2367 -108717.3522 299.4454 -163.7655 -132.1604 763041.9198 -0.2045 -0.2581 PRESSURE: 4854800 -204.259 -167.044 -59.8854 -167.044 -127.762 -103.146 -59.8859 -103.145 -408.301 GPRESSURE: 4854800 -140.368 -11.6143 -61.552 -189.066 -83.3506 -184.081 29.7295 -76.9923 -440.184 PRESSAVG: 4854800 -13.8873 -1.39107 51.2 -1.3911 5.28767 -44.0004 51.2 -44.0004 6.64492 GPRESSAVG: 4854800 -13.5314 -3.57151 51.1947 -0.14594 5.47425 -41.5766 51.9184 -44.3927 6.00632 TIMING: 4854800 CPU: 15157.8, 0.00308961/step Wall: 15157.8, 0.00308961/step, 0.124614 hours remaining, 233.875000 MB of memory in use. ENERGY: 4854800 4043.9699 20471.5457 14457.8678 231.5500 -203032.1055 2442.1721 0.0000 0.0000 52103.1009 -109281.8991 299.4372 -161385.0000 -108928.2337 299.4779 -246.7740 -221.3007 762009.8478 -0.6516 -0.6836 PRESSURE: 4855000 -484.434 -1.96566 233.21 -1.9655 -36.3641 25.8577 233.21 25.857 -208.904 GPRESSURE: 4855000 -462.504 35.7504 165.408 -3.26036 1.69191 77.3166 201.866 -25.2385 -179.923 PRESSAVG: 4855000 22.6707 -9.48076 2.48424 -9.48076 -43.9019 -11.676 2.48418 -11.676 14.1804 GPRESSAVG: 4855000 23.9655 -9.85046 1.86863 -7.57378 -44.7563 -13.0878 0.173683 -9.53684 14.0744 TIMING: 4855000 CPU: 15158.4, 0.00311586/step Wall: 15158.4, 0.00311586/step, 0.1255 hours remaining, 233.875000 MB of memory in use. ENERGY: 4855000 4019.0989 20591.4051 14424.1717 256.4525 -203376.6249 2769.3154 0.0000 0.0000 52166.5253 -109149.6560 299.8017 -161316.1813 -108791.3779 299.4333 -243.2342 -213.5783 762672.1201 -2.3503 -2.2388 PRESSURE: 4855200 326.352 -60.5389 159.643 -60.5384 106.024 146.072 159.643 146.073 -94.2091 GPRESSURE: 4855200 305.468 -66.8782 185.236 -50.2183 155.28 198.027 166.723 157.314 -38.5446 PRESSAVG: 4855200 -61.0052 -11.5624 48.7652 -11.5624 9.78903 12.4075 48.7652 12.4075 -10.0703 GPRESSAVG: 4855200 -62.3408 -10.334 49.627 -11.2937 11.6021 12.6872 51.6332 10.5796 -9.65703 TIMING: 4855200 CPU: 15159, 0.00311129/step Wall: 15159, 0.00311128/step, 0.125143 hours remaining, 233.875000 MB of memory in use. ENERGY: 4855200 4017.2777 20648.2105 14423.7681 224.9272 -203238.2656 2645.5204 0.0000 0.0000 51906.4540 -109372.1077 298.3071 -161278.5616 -109026.3696 299.4374 112.7224 140.7346 764119.2094 -20.4288 -20.1319 PRESSURE: 4855400 250.75 15.4622 -48.9606 15.4631 215.479 229.76 -48.9608 229.76 321.63 GPRESSURE: 4855400 303.647 72.3696 -58.442 -16.3911 234.695 183.892 0.501529 217.574 317.183 PRESSAVG: 4855400 43.4191 46.3533 -3.09859 46.3534 -51.2796 -10.7858 -3.09857 -10.7858 38.8329 GPRESSAVG: 4855400 43.9815 44.1327 -4.70212 44.9061 -52.9465 -12.2385 -3.4836 -9.75124 40.1751 TIMING: 4855400 CPU: 15159.6, 0.00310477/step Wall: 15159.6, 0.00310477/step, 0.124708 hours remaining, 233.875000 MB of memory in use. ENERGY: 4855400 4028.2354 20540.7095 14431.0184 241.2192 -203466.8817 2974.4674 0.0000 0.0000 52047.3337 -109203.8981 299.1167 -161251.2318 -108837.4580 299.0001 262.6194 285.1749 762553.1206 10.3241 10.4034 PRESSURE: 4855600 7.22905 74.9624 -108.879 74.9621 58.8037 16.1838 -108.879 16.1828 -196.381 GPRESSURE: 4855600 45.4598 40.2096 -154.187 88.1883 148.078 92.718 -42.9485 76.4479 -224.936 PRESSAVG: 4855600 29.4283 10.005 47.2321 10.005 -16.3777 35.3864 47.2321 35.3864 24.6235 GPRESSAVG: 4855600 29.0946 11.1392 47.6037 11.9374 -14.5741 37.3525 45.6845 34.4569 23.2863 TIMING: 4855600 CPU: 15160.3, 0.0030949/step Wall: 15160.3, 0.0030949/step, 0.12414 hours remaining, 233.863281 MB of memory in use. ENERGY: 4855600 4034.0970 20618.3650 14365.4180 258.1234 -203343.6141 2923.0695 0.0000 0.0000 52205.5594 -108938.9818 300.0261 -161144.5412 -108582.2606 299.8704 -43.4493 -10.4659 763526.1108 12.5580 12.6023 PRESSURE: 4855800 130.686 37.6354 -123.701 37.6352 2.87156 -168.254 -123.7 -168.254 -50.7535 GPRESSURE: 4855800 138.068 -40.9878 -101.721 116.3 18.1795 -79.3357 -111.403 -18.6404 16.6713 PRESSAVG: 4855800 23.9222 15.5463 -17.6095 15.5463 -36.0142 33.7582 -17.6095 33.7582 -46.7559 GPRESSAVG: 4855800 23.6407 15.6346 -16.1461 15.5914 -36.6136 32.463 -17.5233 33.4799 -45.5594 TIMING: 4855800 CPU: 15160.9, 0.00310475/step Wall: 15160.9, 0.00310475/step, 0.124362 hours remaining, 233.863281 MB of memory in use. ENERGY: 4855800 4062.8293 20670.7319 14395.9136 255.3132 -202817.9157 2638.6563 0.0000 0.0000 52102.4686 -108692.0028 299.4336 -160794.4714 -108332.8732 300.5484 27.6012 57.6396 764208.6738 -19.6160 -19.5108 PRESSURE: 4856000 -144.038 -50.5043 22.0844 -50.505 -133.286 127.579 22.0843 127.581 95.7575 GPRESSURE: 4856000 -89.5329 -60.067 17.962 12.8198 -113.846 214.155 4.4051 82.9395 103.526 PRESSAVG: 4856000 -30.4453 26.2536 -28.228 26.2536 7.05878 25.115 -28.228 25.1149 -17.7762 GPRESSAVG: 4856000 -30.4283 26.7925 -27.7037 24.9349 6.9179 25.4372 -27.7528 27.0077 -17.8994 TIMING: 4856000 CPU: 15161.5, 0.00312233/step Wall: 15161.5, 0.00312233/step, 0.124893 hours remaining, 233.863281 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: 4856000 4008.1406 20755.0017 14404.5375 246.6774 -202816.0032 2471.8408 0.0000 0.0000 52095.4631 -108834.3422 299.3933 -160929.8053 -108466.4949 300.2843 -60.5221 -33.2842 763339.7382 -13.7209 -13.8033 PRESSURE: 4856200 -300.329 -136.711 -87.6016 -136.711 -333.104 -84.8125 -87.601 -84.8125 -346.739 GPRESSURE: 4856200 -254.2 -98.2863 -138.874 -174.538 -314.76 -57.6028 -63.5213 13.6171 -331.533 PRESSAVG: 4856200 27.4187 53.2447 -11.2448 53.2447 40.6225 22.8117 -11.2448 22.8116 19.5254 GPRESSAVG: 4856200 28.8828 52.6842 -13.5319 52.7528 40.1046 22.5554 -11.3709 23.2988 19.0533 TIMING: 4856200 CPU: 15162.1, 0.00311143/step Wall: 15162.1, 0.00311143/step, 0.124284 hours remaining, 233.863281 MB of memory in use. ENERGY: 4856200 4129.9881 20434.7341 14460.8180 235.7834 -202907.3829 2578.2859 0.0000 0.0000 52440.5802 -108627.1932 301.3767 -161067.7734 -108249.1310 301.1232 -326.7239 -300.1646 763068.4840 29.1889 29.3469 LDB: ============= START OF LOAD BALANCING ============== 15174.6 LDB: ============== END OF LOAD BALANCING =============== 15174.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15174.6 LDB: ============= START OF LOAD BALANCING ============== 15174.9 LDB: Largest compute 7067 load 0.030953 is 15.9% of average load 0.195236 LDB: Average compute 0.004407 is 2.3% of average load 0.195236 LDB: TIME 15174.9 LOAD: AVG 0.195236 MAX 0.21523 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.52 MB LDB: TIME 15174.9 LOAD: AVG 0.195236 MAX 0.21523 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.656 MB LDB: TIME 15174.9 LOAD: AVG 0.195236 MAX 0.21523 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.656 MB LDB: ============== END OF LOAD BALANCING =============== 15174.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15174.9 PRESSURE: 4856400 -58.8226 -28.5683 26.5641 -28.5686 -205.577 119.146 26.5622 119.145 -58.9381 GPRESSURE: 4856400 -21.5922 -22.9997 -15.3879 25.6735 -126.969 103.498 -12.2152 86.4637 -72.9375 PRESSAVG: 4856400 -32.5564 30.8514 -44.0667 30.8514 43.1933 26.4214 -44.0667 26.4214 4.70929 GPRESSAVG: 4856400 -32.8271 29.8978 -44.8739 30.1171 42.3846 26.641 -43.3005 24.7519 6.11658 TIMING: 4856400 CPU: 15162.8, 0.00316886/step Wall: 15162.8, 0.00316886/step, 0.126402 hours remaining, 234.507812 MB of memory in use. ENERGY: 4856400 3898.5837 20596.8728 14469.8636 252.6092 -202838.4106 2616.1813 0.0000 0.0000 52327.6888 -108676.6111 300.7279 -161004.2999 -108319.0774 300.6058 -107.7791 -73.8329 763268.2080 5.1154 5.2247 PRESSURE: 4856600 270.834 101.189 67.8925 101.189 -94.6698 -17.3738 67.8933 -17.3732 138.33 GPRESSURE: 4856600 302.33 88.1342 120.05 106.233 -44.0397 -87.5146 34.1784 52.9213 133.612 PRESSAVG: 4856600 -22.4409 45.6886 -45.5748 45.6886 41.7743 35.8636 -45.5748 35.8637 22.3276 GPRESSAVG: 4856600 -23.612 47.0791 -44.4159 47.333 43.4096 34.5864 -45.3052 36.3154 21.6094 TIMING: 4856600 CPU: 15163.4, 0.00309006/step Wall: 15163.4, 0.00309006/step, 0.123087 hours remaining, 234.816406 MB of memory in use. ENERGY: 4856600 3972.0264 20519.5619 14446.8604 259.3339 -203010.0182 2740.9927 0.0000 0.0000 52281.1017 -108790.1412 300.4602 -161071.2429 -108429.9262 300.5437 104.8315 130.6343 763781.2991 13.8870 13.8023 PRESSURE: 4856800 -147.786 -78.4205 -115.526 -78.4208 -113.323 142.261 -115.526 142.262 -358.795 GPRESSURE: 4856800 -145.868 -63.1837 -23.9835 -168.066 -5.72569 160.89 -15.9827 271.926 -392.29 PRESSAVG: 4856800 31.4554 22.1566 -67.2081 22.1566 -37.7886 -13.9215 -67.2081 -13.9215 -15.5376 GPRESSAVG: 4856800 32.7811 23.8075 -67.1216 20.0745 -38.1217 -12.0245 -68.7919 -13.6673 -16.3155 TIMING: 4856800 CPU: 15164, 0.00310203/step Wall: 15164, 0.00310203/step, 0.123392 hours remaining, 234.816406 MB of memory in use. ENERGY: 4856800 4117.0612 20436.0647 14440.4328 244.5879 -203166.9392 2755.8527 0.0000 0.0000 52360.0509 -108812.8890 300.9139 -161172.9399 -108442.9826 300.2532 -206.6345 -181.2946 763819.9377 -7.2903 -7.2187 PRESSURE: 4857000 219.387 123.209 -176.671 123.209 -3.11531 -122.259 -176.671 -122.259 103.462 GPRESSURE: 4857000 209.415 153.244 -209.099 59.8732 80.1398 -174.65 -110.084 4.60608 102.78 PRESSAVG: 4857000 -2.89612 40.5787 -31.3027 40.5787 -2.13369 23.6907 -31.3027 23.6906 0.85515 GPRESSAVG: 4857000 -4.20547 39.2697 -30.1341 41.6994 -1.94424 25.0539 -31.9042 23.8663 1.38831 TIMING: 4857000 CPU: 15164.6, 0.00308543/step Wall: 15164.6, 0.00308543/step, 0.12256 hours remaining, 234.828125 MB of memory in use. ENERGY: 4857000 4003.6799 20719.0067 14457.4345 248.6209 -203419.1578 3167.6454 0.0000 0.0000 52203.0914 -108619.6790 300.0119 -160822.7704 -108268.1090 300.7326 106.5780 130.7782 764301.5677 -1.3916 -1.5871 PRESSURE: 4857200 49.0928 -116.627 192.754 -116.628 -275.66 10.3984 192.755 10.3986 -179.187 GPRESSURE: 4857200 -28.7113 -52.7326 155.492 -112.426 -170.086 -24.8963 186.672 -124.801 -125.438 PRESSAVG: 4857200 -21.6469 44.9821 -7.82585 44.982 3.81282 -13.5564 -7.82573 -13.5565 19.5591 GPRESSAVG: 4857200 -21.9635 42.631 -8.28231 46.3529 4.83429 -15.2891 -7.50281 -14.3194 18.7211 TIMING: 4857200 CPU: 15165.2, 0.00309287/step Wall: 15165.2, 0.00309287/step, 0.122684 hours remaining, 234.828125 MB of memory in use. ENERGY: 4857200 3949.5157 20657.4632 14471.4801 237.1978 -202928.9750 2589.2740 0.0000 0.0000 52194.9760 -108829.0684 299.9652 -161024.0443 -108472.3965 300.1865 -135.2513 -108.0786 763801.5913 0.5750 0.5306 PRESSURE: 4857400 192.288 224.078 -18.3405 224.078 67.3344 -102.959 -18.3404 -102.959 -279.429 GPRESSURE: 4857400 184.192 180.68 67.8946 231.309 183.659 -10.419 149.66 -210.837 -291.741 PRESSAVG: 4857400 -0.230816 16.9685 16.1627 16.9686 -27.6203 -13.3195 16.1627 -13.3196 -27.4654 GPRESSAVG: 4857400 0.239412 18.0421 16.1882 17.5311 -30.3016 -13.1926 16.2844 -13.2375 -25.4831 TIMING: 4857400 CPU: 15165.8, 0.00307414/step Wall: 15165.8, 0.00307415/step, 0.12177 hours remaining, 234.828125 MB of memory in use. ENERGY: 4857400 3980.4720 20416.7709 14457.5185 270.4311 -203289.0667 2897.9214 0.0000 0.0000 52269.8390 -108996.1138 300.3955 -161265.9528 -108629.7669 300.2063 -6.6023 25.3702 761775.6598 -18.4388 -18.5151 PRESSURE: 4857600 -143.72 -200.503 -262.452 -200.503 -178.692 -203.51 -262.451 -203.51 -130.184 GPRESSURE: 4857600 -54.2993 -87.0926 -250.377 -118.292 -215.527 -202.949 -236.089 -45.1164 -119.247 PRESSAVG: 4857600 30.637 55.7294 -26.2666 55.7294 -46.6622 -7.19643 -26.2666 -7.19637 9.65431 GPRESSAVG: 4857600 30.4325 56.5291 -26.8923 54.0466 -44.2268 -7.53986 -25.5966 -4.20917 7.8867 TIMING: 4857600 CPU: 15166.5, 0.00308963/step Wall: 15166.5, 0.00308963/step, 0.122212 hours remaining, 234.828125 MB of memory in use. ENERGY: 4857600 3988.8603 20619.6326 14447.0502 234.1235 -202726.5293 2389.1935 0.0000 0.0000 52208.3010 -108839.3682 300.0418 -161047.6692 -108470.8460 300.5093 -150.8654 -129.6912 763770.5817 -2.1236 -1.9692 PRESSURE: 4857800 -153.805 32.806 -163.002 32.8071 63.2633 65.7434 -163.002 65.7428 210.151 GPRESSURE: 4857800 -64.9133 148.818 8.40126 35.1345 75.9151 44.2343 -172.754 -39.8855 195.349 PRESSAVG: 4857800 -37.9872 10.0253 -26.0429 10.0253 48.8444 42.6394 -26.0429 42.6395 -7.6483 GPRESSAVG: 4857800 -37.3103 11.139 -24.8174 11.1272 47.2698 42.5647 -26.6707 40.7484 -6.59371 TIMING: 4857800 CPU: 15167.1, 0.00310477/step Wall: 15167.1, 0.00310477/step, 0.122639 hours remaining, 234.863281 MB of memory in use. ENERGY: 4857800 4047.2678 20420.5681 14454.0473 258.1574 -202756.8012 2579.9654 0.0000 0.0000 52286.0906 -108710.7047 300.4889 -160996.7952 -108350.5300 300.4437 39.8698 68.7835 763679.5301 1.0696 1.1219 PRESSURE: 4858000 105.254 29.7838 -180.811 29.7821 -20.7041 -12.1102 -180.81 -12.1102 684.25 GPRESSURE: 4858000 50.522 -37.219 -179.202 101.484 44.6855 57.1578 -92.4686 -112.405 753.912 PRESSAVG: 4858000 -9.49637 12.8892 -24.4798 12.8893 2.71039 48.9903 -24.4798 48.9903 11.6837 GPRESSAVG: 4858000 -9.55322 10.3525 -25.6978 14.3096 3.83115 49.716 -21.4035 46.5719 11.2057 TIMING: 4858000 CPU: 15167.7, 0.00310663/step Wall: 15167.7, 0.00310663/step, 0.122539 hours remaining, 234.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4858000 4005.6050 20577.3425 14518.8334 238.9770 -203349.8521 3119.0618 0.0000 0.0000 52337.4063 -108552.6262 300.7838 -160890.0325 -108191.1012 300.9614 256.2668 283.0397 764721.9429 1.6326 1.8279 PRESSURE: 4858200 344.264 -24.0694 -114.184 -24.071 -15.9969 -28.239 -114.184 -28.2382 227.747 GPRESSURE: 4858200 389.257 -135.965 -50.5354 108.82 85.6166 52.6772 -122.18 22.1531 147.186 PRESSAVG: 4858200 -3.49215 34.4264 -31.1523 34.4264 13.5148 2.02177 -31.1523 2.02175 11.167 GPRESSAVG: 4858200 -3.00527 37.6683 -30.5996 33.0351 13.1259 2.71067 -31.6938 2.74554 11.2828 TIMING: 4858200 CPU: 15168.3, 0.00310377/step Wall: 15168.3, 0.00310377/step, 0.122254 hours remaining, 234.847656 MB of memory in use. ENERGY: 4858200 3920.3265 20572.5466 14473.7310 241.6878 -203054.8858 2627.3917 0.0000 0.0000 52584.3289 -108634.8732 302.2029 -161219.2021 -108249.8399 300.8632 185.3381 207.3532 762994.5189 7.0632 7.1345 PRESSURE: 4858400 118.76 51.6965 69.7763 51.6963 -131.303 -113.325 69.776 -113.325 90.8148 GPRESSURE: 4858400 163.998 -30.8386 33.7364 45.7709 -49.3466 -62.6949 49.8945 -153.029 40.1449 PRESSAVG: 4858400 9.33537 48.0373 -40.5362 48.0373 7.89403 -8.13861 -40.5362 -8.13864 5.45824 GPRESSAVG: 4858400 8.76632 45.2554 -40.8557 48.7801 8.39675 -9.91524 -42.1092 -7.20778 5.63305 TIMING: 4858400 CPU: 15168.9, 0.00309265/step Wall: 15168.9, 0.00309266/step, 0.121644 hours remaining, 234.878906 MB of memory in use. ENERGY: 4858400 4054.9439 20538.4989 14486.8270 266.7328 -203526.5652 3159.2399 0.0000 0.0000 52204.0045 -108816.3182 300.0171 -161020.3227 -108453.3005 300.0106 26.0904 51.5987 762660.0513 7.5625 7.5987 PRESSURE: 4858600 -161.772 -40.5069 109.141 -40.5063 -93.7068 161.717 109.141 161.717 -113.541 GPRESSURE: 4858600 -114.807 -24.6746 119.547 70.9592 -62.3915 113.391 58.0364 157.359 -90.5574 PRESSAVG: 4858600 -7.28145 -59.9046 9.37245 -59.9045 -8.56924 6.33824 9.37249 6.33827 0.587508 GPRESSAVG: 4858600 -7.1162 -58.4344 8.54272 -59.206 -8.66483 6.3511 8.78674 6.76705 0.0267393 TIMING: 4858600 CPU: 15169.6, 0.00309905/step Wall: 15169.6, 0.00309904/step, 0.121724 hours remaining, 234.878906 MB of memory in use. ENERGY: 4858600 4005.1255 20561.1100 14451.3210 263.2759 -203157.8736 2790.3422 0.0000 0.0000 52403.9910 -108682.7080 301.1665 -161086.6990 -108313.8116 300.0507 -123.0065 -89.2519 763271.8087 -5.0877 -5.2514 PRESSURE: 4858800 432.407 195.043 118.146 195.043 144.251 85.3298 118.144 85.3292 216.358 GPRESSURE: 4858800 443.96 133.413 87.316 212.111 193.756 55.2013 63.0724 161.027 218.429 PRESSAVG: 4858800 14.1141 11.0626 -7.10278 11.0626 -21.8789 -54.5146 -7.10274 -54.5146 -3.48346 GPRESSAVG: 4858800 12.9754 11.0219 -5.77329 10.4297 -21.9179 -54.316 -7.60951 -55.9176 -2.92397 TIMING: 4858800 CPU: 15170.2, 0.00310736/step Wall: 15170.2, 0.00310736/step, 0.121877 hours remaining, 234.878906 MB of memory in use. ENERGY: 4858800 3945.6949 20631.7233 14400.1390 230.4283 -202969.6639 2732.0934 0.0000 0.0000 52359.7483 -108669.8368 300.9122 -161029.5851 -108309.2100 300.0255 264.3384 285.3817 763667.3380 -3.7494 -3.9555 PRESSURE: 4859000 -224.223 113.688 -181.798 113.688 94.2925 -18.3519 -181.798 -18.3533 104.821 GPRESSURE: 4859000 -129.186 107.022 -112.678 152.266 146.849 61.4556 -214.756 -57.3634 46.0512 PRESSAVG: 4859000 -31.3944 19.6604 -25.9434 19.6604 11.3735 -61.4205 -25.9434 -61.4205 9.04093 GPRESSAVG: 4859000 -29.4579 18.8633 -24.5372 19.5108 10.3507 -60.7007 -25.1808 -59.4708 8.29728 TIMING: 4859000 CPU: 15170.8, 0.00309241/step Wall: 15170.8, 0.00309241/step, 0.121119 hours remaining, 234.878906 MB of memory in use. ENERGY: 4859000 3993.7455 20580.0523 14485.0215 242.2053 -202949.3014 2667.1617 0.0000 0.0000 52122.7528 -108858.3623 299.5502 -160981.1151 -108492.5232 300.5136 -8.3698 21.2380 764121.8092 -3.6600 -3.6033 PRESSURE: 4859200 -114.359 5.39103 189.154 5.39132 -100.501 0.964752 189.155 0.965854 179.225 GPRESSURE: 4859200 -101.832 -27.7867 170.362 -17.2707 -76.9528 -55.1409 308.786 -14.6521 230.891 PRESSAVG: 4859200 -79.1649 15.3583 3.03078 15.3583 43.8435 -30.5259 3.03082 -30.5259 22.0186 GPRESSAVG: 4859200 -79.8671 18.5665 0.996401 15.1871 45.5113 -30.8689 4.72752 -31.4861 21.438 TIMING: 4859200 CPU: 15171.4, 0.0030845/step Wall: 15171.4, 0.0030845/step, 0.120638 hours remaining, 234.878906 MB of memory in use. ENERGY: 4859200 4093.1590 20497.1425 14372.3821 235.9811 -203452.7932 3074.9376 0.0000 0.0000 52223.3705 -108955.8205 300.1284 -161179.1909 -108597.6460 299.9937 -11.8783 17.3687 764622.6934 -4.4343 -4.3059 PRESSURE: 4859400 -338.294 -128.991 -37.5724 -128.99 -387.104 172.675 -37.5723 172.675 -310.233 GPRESSURE: 4859400 -193.649 -160.922 -14.1085 -80.9893 -417.843 71.3804 -84.1038 209.163 -343.944 PRESSAVG: 4859400 -15.0117 0.382503 11.7975 0.382521 -28.6546 25.6153 11.7975 25.6153 -28.0183 GPRESSAVG: 4859400 -15.0094 -4.01262 12.4076 0.99628 -29.5386 26.2496 10.5487 25.6906 -27.1745 TIMING: 4859400 CPU: 15172, 0.00309116/step Wall: 15172, 0.00309116/step, 0.120727 hours remaining, 234.878906 MB of memory in use. ENERGY: 4859400 3964.7357 20491.7251 14456.1733 254.5584 -202750.5999 2407.8696 0.0000 0.0000 52150.9608 -109024.5771 299.7123 -161175.5378 -108658.9684 299.5264 -345.2103 -318.4787 764588.3858 -23.8949 -23.9075 PRESSURE: 4859600 233.363 106.434 16.8273 106.434 20.4707 196.985 16.827 196.985 133.298 GPRESSURE: 4859600 274.046 71.8284 -18.5542 115.136 87.1196 116.248 120.526 160.833 130.643 PRESSAVG: 4859600 -43.3933 4.44738 5.4069 4.44738 47.5193 14.2117 5.40684 14.2117 -0.0554929 GPRESSAVG: 4859600 -43.0694 5.04916 6.6265 5.1443 46.7503 12.8359 4.8584 14.5219 0.978227 TIMING: 4859600 CPU: 15172.7, 0.00308593/step Wall: 15172.7, 0.00308593/step, 0.120351 hours remaining, 234.878906 MB of memory in use. ENERGY: 4859600 3946.5390 20509.9142 14496.4716 226.5946 -203142.9890 2684.1818 0.0000 0.0000 52050.2027 -109229.0851 299.1332 -161279.2878 -108861.6630 299.1939 129.0438 163.9362 763120.1152 1.3568 1.5531 PRESSURE: 4859800 16.0293 4.17521 -17.9542 4.17434 -61.2115 16.5598 -17.9544 16.5594 63.8042 GPRESSURE: 4859800 83.6848 4.25073 -26.644 -39.5667 -26.7598 40.8988 16.436 -37.9033 50.6962 PRESSAVG: 4859800 -21.4641 3.87897 14.0364 3.87896 4.33088 10.6158 14.0365 10.6159 -3.15335 GPRESSAVG: 4859800 -21.021 4.89681 12.176 2.73019 5.86362 12.2353 15.8647 8.88959 -4.74294 TIMING: 4859800 CPU: 15173.3, 0.00310634/step Wall: 15173.3, 0.00310634/step, 0.120975 hours remaining, 234.878906 MB of memory in use. ENERGY: 4859800 4065.5676 20323.7282 14528.7687 229.0255 -203120.7247 2672.0074 0.0000 0.0000 52195.6981 -109105.9291 299.9694 -161301.6272 -108737.5921 299.3261 6.2073 35.8738 762993.7484 -6.7622 -6.6335 PRESSURE: 4860000 -274.048 -9.68666 -204.682 -9.68718 173.352 319.068 -204.682 319.067 -14.2313 GPRESSURE: 4860000 -215.915 -15.9985 -140.048 32.7904 166.673 284.241 -199.924 177.759 15.6961 PRESSAVG: 4860000 -34.0773 -16.3125 -26.5604 -16.3125 12.9999 44.2662 -26.5605 44.2662 -26.9853 GPRESSAVG: 4860000 -34.7899 -17.8749 -26.9695 -15.8636 12.97 43.6825 -28.0151 45.6029 -26.7998 TIMING: 4860000 CPU: 15173.9, 0.00309363/step Wall: 15173.9, 0.00309363/step, 0.120308 hours remaining, 234.878906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4860000 4002.6695 20633.3503 14498.1744 255.2330 -203443.7022 2902.8199 0.0000 0.0000 51922.6387 -109228.8165 298.4001 -161151.4552 -108878.4582 299.5954 -38.3089 -11.1821 763435.1772 -16.0209 -16.2065 PRESSURE: 4860200 349.361 4.93903 35.8749 4.93849 -165.464 -21.2105 35.8742 -21.2114 141.559 GPRESSURE: 4860200 203.891 -17.3613 39.6392 58.1676 -43.746 4.15387 40.3095 27.0786 241.665 PRESSAVG: 4860200 -33.9882 -41.5386 16.4587 -41.5386 23.0765 39.0654 16.4586 39.0654 -5.55725 GPRESSAVG: 4860200 -33.4686 -38.6859 17.8115 -42.9172 22.2346 39.2872 16.9796 39.8045 -5.21612 TIMING: 4860200 CPU: 15174.5, 0.00309658/step Wall: 15174.5, 0.00309658/step, 0.120251 hours remaining, 234.878906 MB of memory in use. ENERGY: 4860200 3944.9004 20568.9767 14533.7805 249.8295 -203241.2627 2764.3955 0.0000 0.0000 52169.6307 -109009.7494 299.8196 -161179.3801 -108646.9065 299.6635 108.4855 133.9366 762221.0438 -5.4897 -5.4834 LDB: ============= START OF LOAD BALANCING ============== 15187 LDB: ============== END OF LOAD BALANCING =============== 15187 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15187 LDB: ============= START OF LOAD BALANCING ============== 15187.3 LDB: Largest compute 7060 load 0.031246 is 16.0% of average load 0.195218 LDB: Average compute 0.004401 is 2.3% of average load 0.195218 LDB: TIME 15187.3 LOAD: AVG 0.195218 MAX 0.215571 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.227 MB LDB: TIME 15187.3 LOAD: AVG 0.195218 MAX 0.215571 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.227 MB LDB: TIME 15187.3 LOAD: AVG 0.195218 MAX 0.215571 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.227 MB LDB: ============== END OF LOAD BALANCING =============== 15187.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15187.3 PRESSURE: 4860400 -87.4995 -90.1277 -44.8501 -90.1282 194.167 -187.411 -44.8491 -187.409 -175.605 GPRESSURE: 4860400 -73.6678 55.5623 72.7803 -140.537 246.943 -142.854 -120.349 -256.109 -152.182 PRESSAVG: 4860400 -0.232371 -37.7684 33.7027 -37.7684 23.3282 48.9166 33.7027 48.9167 18.8285 GPRESSAVG: 4860400 -0.413407 -38.4851 32.658 -37.558 24.1638 48.3699 34.5149 49.178 18.6042 TIMING: 4860400 CPU: 15175.2, 0.00315984/step Wall: 15175.2, 0.00315984/step, 0.122531 hours remaining, 234.261719 MB of memory in use. ENERGY: 4860400 3846.1805 20499.7196 14561.3870 249.5048 -203086.6981 2588.6607 0.0000 0.0000 51960.8582 -109380.3873 298.6198 -161341.2455 -109023.9238 299.5373 -22.9793 7.0311 763304.6020 13.9748 14.1182 PRESSURE: 4860600 283.13 279.138 -53.3936 279.138 186.615 133.688 -53.3934 133.688 643.4 GPRESSURE: 4860600 280.392 174.217 -84.5516 250.494 290.38 119.926 -135.818 67.3312 634.255 PRESSAVG: 4860600 -66.9891 27.5285 -7.23806 27.5285 88.9406 42.3626 -7.23802 42.3625 -20.4214 GPRESSAVG: 4860600 -66.3845 27.8697 -6.14409 28.0048 87.2656 42.1921 -7.58343 43.0492 -19.6684 TIMING: 4860600 CPU: 15175.8, 0.00309693/step Wall: 15175.8, 0.00309693/step, 0.11992 hours remaining, 234.531250 MB of memory in use. ENERGY: 4860600 4025.1316 20343.8997 14371.1200 250.8401 -203767.8849 3211.6493 0.0000 0.0000 52121.2503 -109443.9939 299.5415 -161565.2442 -109073.4628 298.8666 371.0481 401.6759 762574.9137 0.5100 0.4042 PRESSURE: 4860800 16.6958 73.5829 192.453 73.5834 274.528 -7.68951 192.454 -7.69038 -122.425 GPRESSURE: 4860800 -31.7836 12.4844 202.432 7.30258 408.235 68.0679 241.644 19.8468 -118.974 PRESSAVG: 4860800 -62.2639 36.7565 48.2986 36.7565 40.5745 21.3844 48.2987 21.3844 36.413 GPRESSAVG: 4860800 -63.1556 35.4687 49.0183 35.2079 41.7195 21.3056 48.2669 22.4317 35.7725 TIMING: 4860800 CPU: 15176.4, 0.00307034/step Wall: 15176.4, 0.00307034/step, 0.11872 hours remaining, 234.531250 MB of memory in use. ENERGY: 4860800 4009.6623 20471.8274 14428.4801 247.9687 -203426.9320 2709.7855 0.0000 0.0000 51923.7755 -109635.4325 298.4067 -161559.2080 -109281.7402 299.0924 56.2664 85.8260 762384.9328 4.9079 4.7788 PRESSURE: 4861000 -28.458 -54.5595 168.41 -54.5601 65.2851 -115.122 168.41 -115.123 -362.216 GPRESSURE: 4861000 53.638 -132.925 117.42 -90.6788 -10.8321 -147.525 156.215 -131.467 -287.797 PRESSAVG: 4861000 -15.0857 24.7005 28.8344 24.7004 67.4185 21.8422 28.8345 21.8422 1.91576 GPRESSAVG: 4861000 -14.7453 26.0203 28.1874 24.6878 67.0112 22.2124 28.8702 19.3898 1.94625 TIMING: 4861000 CPU: 15177, 0.00311885/step Wall: 15177, 0.00311885/step, 0.120422 hours remaining, 234.531250 MB of memory in use. ENERGY: 4861000 4013.8712 20455.2292 14447.7470 235.6935 -203620.6100 2777.7738 0.0000 0.0000 52176.4422 -109513.8531 299.8587 -161690.2953 -109152.9422 298.6416 -108.4631 -81.6636 761701.4814 18.0829 18.0707 PRESSURE: 4861200 -324.569 89.8996 -39.0086 89.8997 -430.934 65.67 -39.0074 65.6697 114.684 GPRESSURE: 4861200 -251.311 94.9901 -172.497 54.0157 -325.148 77.8958 109.28 249.084 22.1401 PRESSAVG: 4861200 53.0977 48.3868 -55.537 48.3868 -13.2427 17.8525 -55.537 17.8525 1.48056 GPRESSAVG: 4861200 52.8613 48.2465 -55.7812 50.6687 -12.374 18.3681 -57.0528 18.6285 0.77728 TIMING: 4861200 CPU: 15177.6, 0.0031093/step Wall: 15177.6, 0.00310931/step, 0.119881 hours remaining, 234.531250 MB of memory in use. ENERGY: 4861200 4054.3090 20568.8287 14501.4250 275.6874 -203214.8325 2720.9688 0.0000 0.0000 51829.4764 -109264.1370 297.8647 -161093.6134 -108905.9861 299.1665 -213.6063 -184.7731 762360.9487 13.7785 13.7549 PRESSURE: 4861400 254.071 93.6195 34.8229 93.6195 95.7605 -35.4754 34.8231 -35.4755 199.775 GPRESSURE: 4861400 241.444 138.703 77.8624 65.5869 109.608 -93.1205 -116.251 31.0598 279.997 PRESSAVG: 4861400 18.5323 34.998 -45.7642 34.998 -47.5231 -4.29642 -45.7642 -4.29641 -2.38759 GPRESSAVG: 4861400 17.1936 36.1001 -45.4588 34.101 -47.118 -4.98723 -44.8603 -3.55046 -1.54878 TIMING: 4861400 CPU: 15178.3, 0.00311791/step Wall: 15178.3, 0.00311791/step, 0.120039 hours remaining, 234.531250 MB of memory in use. ENERGY: 4861400 3968.8180 20506.4534 14520.8209 229.2549 -203314.3640 2855.5548 0.0000 0.0000 51999.2043 -109234.2577 298.8401 -161233.4620 -108884.3288 299.0704 183.2024 210.3495 763740.8916 -10.4595 -10.4911 PRESSURE: 4861600 -8.8148 -162.723 -48.7639 -162.723 120.63 70.0041 -48.7638 70.0038 -295.99 GPRESSURE: 4861600 20.8653 -140.965 52.0649 -91.0394 198.595 68.0888 -11.6104 113.976 -332.078 PRESSAVG: 4861600 -38.8342 31.5707 -5.49691 31.5707 14.0533 11.5272 -5.4969 11.5273 2.5703 GPRESSAVG: 4861600 -36.9356 29.1284 -4.19548 32.4863 12.9797 13.7275 -4.23438 12.4432 1.66267 TIMING: 4861600 CPU: 15178.9, 0.00311095/step Wall: 15178.9, 0.00311095/step, 0.119599 hours remaining, 234.531250 MB of memory in use. ENERGY: 4861600 3931.2434 20590.6874 14459.9804 250.4056 -203140.2119 2771.7239 0.0000 0.0000 52060.5817 -109075.5894 299.1929 -161136.1711 -108717.4536 299.1590 -61.3919 -37.5390 765416.7578 -7.4036 -7.4311 PRESSURE: 4861800 -108.007 -225.22 -133.564 -225.221 210.124 -100.985 -133.563 -100.986 -5.74306 GPRESSURE: 4861800 -85.8658 -228.307 -79.4085 -115.07 270.379 -163.544 -133.492 -10.5368 -11.81 PRESSAVG: 4861800 -21.8212 8.62251 -12.6176 8.62256 21.2933 -6.71337 -12.6176 -6.71334 10.5964 GPRESSAVG: 4861800 -23.276 7.5608 -12.6476 10.0789 21.583 -7.86081 -14.1416 -7.9588 11.9649 TIMING: 4861800 CPU: 15179.5, 0.00311784/step Wall: 15179.5, 0.00311784/step, 0.11969 hours remaining, 234.531250 MB of memory in use. ENERGY: 4861800 3935.7456 20667.1149 14433.2474 245.7026 -203377.7168 2907.6973 0.0000 0.0000 52230.0492 -108958.1598 300.1668 -161188.2089 -108590.3057 299.8412 32.1248 57.5676 764277.9288 3.3562 3.4240 PRESSURE: 4862000 -93.9177 62.2909 -146.05 62.291 -9.58017 14.1353 -146.05 14.1347 -148.487 GPRESSURE: 4862000 -19.2548 75.3392 -133.755 46.8967 -7.81679 144.207 -146.164 13.7775 -136.592 PRESSAVG: 4862000 12.8695 -27.7696 -40.9623 -27.7696 -9.64739 -34.1129 -40.9623 -34.1129 -5.63647 GPRESSAVG: 4862000 14.498 -26.7694 -41.3647 -29.863 -10.2753 -34.6839 -40.5455 -32.78 -6.88656 TIMING: 4862000 CPU: 15180.1, 0.00312695/step Wall: 15180.1, 0.00312695/step, 0.119866 hours remaining, 234.531250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4862000 3968.9989 20566.5209 14473.2428 259.2969 -203092.0512 2724.4282 0.0000 0.0000 52176.7596 -108922.8038 299.8606 -161099.5634 -108568.2633 299.8776 -83.9949 -54.5545 764561.3407 -0.8048 -0.8879 PRESSURE: 4862200 128.547 204.3 -114.771 204.3 114.283 310.146 -114.77 310.145 -101.026 GPRESSURE: 4862200 89.3909 102.251 -42.0478 202.895 153.012 222.997 -153.926 160.253 -10.8009 PRESSAVG: 4862200 0.441168 19.7399 21.6728 19.7399 -0.514976 30.0574 21.6728 30.0575 20.3888 GPRESSAVG: 4862200 -1.89282 21.2571 20.1684 17.3064 0.29511 29.9871 19.9682 27.7416 21.9495 TIMING: 4862200 CPU: 15180.7, 0.00311191/step Wall: 15180.7, 0.00311191/step, 0.119117 hours remaining, 234.585938 MB of memory in use. ENERGY: 4862200 3956.0651 20490.6836 14536.3221 252.1443 -203304.6876 2713.9162 0.0000 0.0000 52504.0150 -108851.5413 301.7413 -161355.5563 -108490.0156 300.0061 47.2683 77.2007 765131.5788 6.7717 6.7839 PRESSURE: 4862400 -42.1102 79.8427 148.634 79.8427 140.795 -159.075 148.635 -159.075 174.889 GPRESSURE: 4862400 -14.4266 38.1798 164.47 134.171 166.502 -109.765 132.456 -143.877 202.079 PRESSAVG: 4862400 -79.6963 26.6836 -21.7602 26.6836 95.2007 -10.3357 -21.7602 -10.3357 20.7512 GPRESSAVG: 4862400 -78.8279 25.6774 -22.9156 28.8711 93.9477 -8.05058 -18.5203 -12.1354 20.7897 TIMING: 4862400 CPU: 15181.4, 0.00309898/step Wall: 15181.4, 0.00309898/step, 0.11845 hours remaining, 234.585938 MB of memory in use. ENERGY: 4862400 4042.2834 20614.8143 14530.9117 242.5864 -203303.2525 2746.8288 0.0000 0.0000 52185.7924 -108940.0355 299.9125 -161125.8279 -108578.6415 299.8821 91.1911 118.0515 763877.2185 12.0852 11.9698 PRESSURE: 4862600 177.808 299.159 143.493 299.16 328.095 201.455 143.493 201.454 -700.054 GPRESSURE: 4862600 227.294 316.961 151.969 151.563 208.463 106.118 135.63 112.041 -535.708 PRESSAVG: 4862600 -98.7792 40.958 46.084 40.958 73.1846 -24.1681 46.0841 -24.1682 -8.45544 GPRESSAVG: 4862600 -97.7985 39.9034 46.9208 40.8167 73.0232 -26.7904 43.4497 -21.2154 -9.12196 TIMING: 4862600 CPU: 15182, 0.00308858/step Wall: 15182, 0.00308858/step, 0.117881 hours remaining, 234.585938 MB of memory in use. ENERGY: 4862600 4009.0681 20550.5085 14456.1469 257.7538 -203433.0703 2912.7499 0.0000 0.0000 52193.6008 -109053.2424 299.9573 -161246.8431 -108682.8023 299.4743 -64.7171 -33.3171 763655.3790 -11.3500 -11.2991 PRESSURE: 4862800 122.685 107.133 191.344 107.132 167.888 -55.1564 191.344 -55.1556 -205.832 GPRESSURE: 4862800 171.928 194.049 163.343 147.481 228.354 -79.5549 197.7 -41.8666 -223.579 PRESSAVG: 4862800 -6.6624 8.0709 2.45898 8.07091 23.6292 33.627 2.45899 33.6271 -5.01288 GPRESSAVG: 4862800 -6.68283 8.55237 2.80585 7.8916 23.8121 34.1027 3.51509 33.3767 -4.94321 TIMING: 4862800 CPU: 15182.6, 0.00311854/step Wall: 15182.6, 0.00311854/step, 0.118851 hours remaining, 234.789062 MB of memory in use. ENERGY: 4862800 4046.7615 20418.2264 14450.7377 242.0786 -202830.6384 2588.0792 0.0000 0.0000 51823.0832 -109261.6717 297.8280 -161084.7549 -108895.6753 299.2350 28.2473 58.9012 765083.0193 3.9846 4.0620 PRESSURE: 4863000 162.581 153.724 -94.5296 153.724 -305.851 -199.629 -94.5306 -199.63 -280.961 GPRESSURE: 4863000 173.911 49.4122 -58.9153 208.862 -271.485 -289.311 -122.416 -146.272 -246.347 PRESSAVG: 4863000 4.10549 27.33 28.3645 27.33 9.15603 9.53228 28.3645 9.53228 9.69724 GPRESSAVG: 4863000 2.70718 28.8891 26.9326 27.1482 10.6114 10.7024 27.3941 9.11477 9.77977 TIMING: 4863000 CPU: 15183.2, 0.00309254/step Wall: 15183.2, 0.00309254/step, 0.117688 hours remaining, 234.789062 MB of memory in use. ENERGY: 4863000 4039.7991 20520.1842 14466.0743 243.0413 -203345.2649 2675.9925 0.0000 0.0000 52027.8657 -109372.3076 299.0049 -161400.1733 -109004.4975 298.6101 -141.4104 -114.6403 763773.4377 7.6529 7.6994 PRESSURE: 4863200 -183.96 189.743 -234.718 189.743 -150.551 188.135 -234.718 188.134 66.1665 GPRESSURE: 4863200 -129.499 63.42 -175.318 133.139 -134.601 197.026 -77.6562 185.877 85.4923 PRESSAVG: 4863200 -48.9601 35.9819 51.5658 35.9819 39.3863 -25.8915 51.5658 -25.8914 3.77001 GPRESSAVG: 4863200 -47.3467 35.0457 51.1877 35.821 38.8655 -26.6214 53.7028 -25.8825 2.58972 TIMING: 4863200 CPU: 15183.9, 0.00312652/step Wall: 15183.9, 0.00312652/step, 0.118808 hours remaining, 234.789062 MB of memory in use. ENERGY: 4863200 4044.0003 20584.4254 14499.1369 248.0809 -203405.5990 2831.0909 0.0000 0.0000 51689.1614 -109509.7032 297.0583 -161198.8646 -109165.1662 298.5337 -89.4481 -59.5358 764810.0495 -1.9346 -1.9638 PRESSURE: 4863400 116.171 62.2873 162.88 62.2879 389.547 126.489 162.88 126.488 -440.993 GPRESSURE: 4863400 169.811 169.464 134.81 23.4189 389.177 63.3683 60.6333 41.3028 -415.063 PRESSAVG: 4863400 -5.72277 -16.3198 32.5727 -16.3198 -29.3978 0.808909 32.5727 0.80896 13.7431 GPRESSAVG: 4863400 -6.88819 -17.2955 34.1832 -16.4576 -28.9462 3.53129 30.3948 0.860109 13.9572 TIMING: 4863400 CPU: 15184.5, 0.00312939/step Wall: 15184.5, 0.00312939/step, 0.118743 hours remaining, 234.789062 MB of memory in use. ENERGY: 4863400 3957.8055 20320.7419 14471.9408 239.2607 -203688.5242 2971.2082 0.0000 0.0000 52244.0290 -109483.5381 300.2472 -161727.5671 -109107.8713 298.9022 21.5751 47.9750 764140.4605 -7.1258 -7.2924 PRESSURE: 4863600 -370.829 95.4307 182.578 95.4302 -389.161 -65.7473 182.579 -65.747 -475.112 GPRESSURE: 4863600 -377.437 127.89 77.1519 31.271 -260.256 -29.1034 140.458 -78.3855 -490.535 PRESSAVG: 4863600 6.12352 17.1496 34.9561 17.1496 15.3174 34.0213 34.9561 34.0213 6.39899 GPRESSAVG: 4863600 5.41988 15.9592 34.4601 19.9166 14.53 30.3393 35.9138 35.1727 7.75745 TIMING: 4863600 CPU: 15185.1, 0.00311372/step Wall: 15185.1, 0.00311372/step, 0.117975 hours remaining, 234.789062 MB of memory in use. ENERGY: 4863600 4023.1072 20519.3403 14386.8309 251.8350 -203202.4601 2664.2381 0.0000 0.0000 51905.8030 -109451.3056 298.3034 -161357.1086 -109089.0748 298.9508 -411.7006 -376.0757 763141.2581 9.2800 9.2358 PRESSURE: 4863800 310.334 -107.451 194.25 -107.451 -130.053 -137.902 194.25 -137.903 -137.487 GPRESSURE: 4863800 349.099 21.2964 197.354 -82.9753 -78.9644 -160.434 82.6503 16.4528 -118.04 PRESSAVG: 4863800 -0.361885 30.1617 54.4859 30.1617 15.8776 6.08768 54.4859 6.08769 -0.376032 GPRESSAVG: 4863800 1.03232 31.2903 55.7192 28.2584 15.7324 9.10217 53.8915 5.35011 -1.75823 TIMING: 4863800 CPU: 15185.7, 0.00310724/step Wall: 15185.7, 0.00310724/step, 0.117557 hours remaining, 234.789062 MB of memory in use. ENERGY: 4863800 4006.8067 20459.6119 14472.9129 236.2688 -203199.9465 2591.7031 0.0000 0.0000 52026.5668 -109406.0764 298.9974 -161432.6432 -109039.2924 299.4678 14.2648 50.6982 763175.5015 5.0466 5.0022 PRESSURE: 4864000 -268.539 -42.325 53.8551 -42.3247 -390.383 -140.048 53.8553 -140.047 -255.989 GPRESSURE: 4864000 -318.182 12.9548 52.5979 70.82 -310.642 -115.267 197.763 -199.429 -219.278 PRESSAVG: 4864000 -29.6735 45.5483 -47.3049 45.5482 -16.23 50.7733 -47.3049 50.7733 22.8427 GPRESSAVG: 4864000 -29.5966 46.8816 -49.5314 44.3105 -16.9609 50.0547 -48.1955 52.4208 22.3197 TIMING: 4864000 CPU: 15186.3, 0.00312232/step Wall: 15186.3, 0.00312232/step, 0.117954 hours remaining, 234.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4864000 4041.0323 20699.6972 14462.1034 261.1584 -203739.9487 2807.0446 0.0000 0.0000 51838.5504 -109630.3623 297.9169 -161468.9127 -109279.5418 298.9529 -304.9704 -282.7008 763560.1200 -7.6870 -8.0793 PRESSURE: 4864200 -421.821 -454.397 72.9967 -454.398 -25.8819 96.6381 72.9978 96.637 120.088 GPRESSURE: 4864200 -382.004 -392.948 -55.8833 -465.994 -23.3373 72.5036 49.6565 -29.9559 165.248 PRESSAVG: 4864200 -34.765 -21.2762 1.8681 -21.2762 36.3127 35.3005 1.86805 35.3006 -35.9085 GPRESSAVG: 4864200 -35.697 -22.9122 3.01225 -19.8142 37.6529 34.5136 3.36954 33.0963 -35.7666 TIMING: 4864200 CPU: 15187, 0.00311784/step Wall: 15187, 0.00311784/step, 0.117612 hours remaining, 234.789062 MB of memory in use. ENERGY: 4864200 4002.9390 20606.3581 14440.7264 244.1362 -203521.8687 2379.7462 0.0000 0.0000 52238.3322 -109609.6306 300.2144 -161847.9629 -109247.7046 298.7502 -109.2049 -80.0312 761110.4045 -11.4536 -11.2702 LDB: ============= START OF LOAD BALANCING ============== 15199.4 LDB: ============== END OF LOAD BALANCING =============== 15199.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15199.5 LDB: ============= START OF LOAD BALANCING ============== 15199.8 LDB: Largest compute 7060 load 0.030185 is 15.5% of average load 0.195332 LDB: Average compute 0.004407 is 2.3% of average load 0.195332 LDB: TIME 15199.8 LOAD: AVG 0.195332 MAX 0.215119 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.262 MB LDB: TIME 15199.8 LOAD: AVG 0.195332 MAX 0.215119 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.34 MB LDB: TIME 15199.8 LOAD: AVG 0.195332 MAX 0.215119 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.34 MB LDB: ============== END OF LOAD BALANCING =============== 15199.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15199.8 PRESSURE: 4864400 -152.607 70.9425 -242.205 70.9437 -347.081 229.512 -242.206 229.512 -418.7 GPRESSURE: 4864400 -55.0344 -11.2859 -230.14 58.3463 -283.554 137.892 -240.638 10.471 -522.336 PRESSAVG: 4864400 -27.1174 -16.3965 -14.2994 -16.3965 7.45488 41.6016 -14.2994 41.6016 6.36928 GPRESSAVG: 4864400 -26.6968 -18.3925 -14.8528 -17.0335 6.21395 40.1761 -14.3176 41.0831 7.06829 TIMING: 4864400 CPU: 15187.6, 0.00318853/step Wall: 15187.6, 0.00318853/step, 0.120101 hours remaining, 233.750000 MB of memory in use. ENERGY: 4864400 3960.5911 20546.5103 14411.8132 244.3888 -203467.8663 2635.1056 0.0000 0.0000 51987.0910 -109682.3664 298.7705 -161669.4574 -109316.1982 298.7093 -306.1292 -286.9748 760993.2401 -4.4311 -4.4715 PRESSURE: 4864600 252.422 -104.809 -47.4908 -104.81 174.265 -375.873 -47.4911 -375.873 20.3123 GPRESSURE: 4864600 269.951 -75.8199 13.6035 -137.709 149.603 -224.951 -147.473 -219.644 99.798 PRESSAVG: 4864600 15.5729 -57.3628 7.10949 -57.3628 0.984575 51.4073 7.10948 51.4072 9.59941 GPRESSAVG: 4864600 15.3 -56.3739 8.10607 -58.509 0.516448 51.6489 5.43279 54.8983 9.98151 TIMING: 4864600 CPU: 15188.2, 0.0031353/step Wall: 15188.2, 0.0031353/step, 0.117922 hours remaining, 233.750000 MB of memory in use. ENERGY: 4864600 3948.6044 20500.1257 14439.2643 242.3325 -203682.6871 2769.4765 0.0000 0.0000 52039.6883 -109743.1956 299.0728 -161782.8839 -109375.8279 299.1349 148.9995 173.1175 761265.5579 8.7190 8.5993 PRESSURE: 4864800 80.2303 -198.591 12.1644 -198.592 -232.666 47.4744 12.1648 47.4754 45.4456 GPRESSURE: 4864800 113.417 -166.677 40.9247 -210.55 -126.117 5.87237 -54.5089 14.0189 -15.2502 PRESSAVG: 4864800 3.58767 -76.84 22.6809 -76.8401 6.58988 42.9786 22.6808 42.9787 14.9237 GPRESSAVG: 4864800 3.36161 -76.741 22.5895 -73.4279 7.76093 43.9154 24.8074 42.7633 13.522 TIMING: 4864800 CPU: 15188.9, 0.00312645/step Wall: 15188.9, 0.00312645/step, 0.117416 hours remaining, 233.750000 MB of memory in use. ENERGY: 4864800 3984.8206 20558.5885 14427.0666 250.5688 -203593.8584 2743.4900 0.0000 0.0000 51912.9149 -109716.4090 298.3442 -161629.3239 -109357.2617 299.0299 -35.6635 -9.3169 762330.7540 8.3671 8.2148 PRESSURE: 4865000 -107.839 -155.24 69.3969 -155.241 -498.49 -39.8771 69.3963 -39.878 279.396 GPRESSURE: 4865000 -168.068 -162.417 23.7531 -146.253 -306.164 -112.288 -17.7129 34.9122 207.127 PRESSAVG: 4865000 -68.1618 -11.9464 72.7211 -11.9463 31.9926 -8.69166 72.7211 -8.69177 -6.61764 GPRESSAVG: 4865000 -67.7817 -10.1085 72.5763 -15.6833 31.3805 -9.29674 72.46 -8.85593 -7.04069 TIMING: 4865000 CPU: 15189.5, 0.00311357/step Wall: 15189.5, 0.00311357/step, 0.116759 hours remaining, 233.750000 MB of memory in use. ENERGY: 4865000 3932.0718 20553.3972 14388.5693 262.9262 -203636.2439 2762.3174 0.0000 0.0000 52088.3002 -109648.6617 299.3522 -161736.9619 -109279.5441 298.6171 -108.9775 -89.0351 762895.4590 -14.2623 -14.4806 PRESSURE: 4865200 22.3733 4.08517 -7.95318 4.08524 24.7824 -28.1833 -7.95341 -28.1839 424.637 GPRESSURE: 4865200 82.626 21.8774 26.8889 -39.4308 26.1721 -77.6626 -104.621 -9.8746 420.862 PRESSAVG: 4865200 -78.8447 15.0828 -8.86192 15.0828 58.2066 -32.2104 -8.8619 -32.2104 -15.9276 GPRESSAVG: 4865200 -78.9707 13.5786 -9.83619 15.1967 57.5116 -32.8331 -9.54646 -32.6728 -15.0111 TIMING: 4865200 CPU: 15190.1, 0.00311039/step Wall: 15190.1, 0.00311039/step, 0.116467 hours remaining, 233.750000 MB of memory in use. ENERGY: 4865200 4016.5243 20612.3371 14522.6348 229.7382 -203895.0634 3058.6936 0.0000 0.0000 51896.9097 -109558.2258 298.2523 -161455.1356 -109203.0748 298.9014 157.2644 176.5535 763888.4412 -12.1886 -12.1568 PRESSURE: 4865400 50.1586 135.352 30.6349 135.351 -29.0932 -55.8924 30.6344 -55.8926 -123.895 GPRESSURE: 4865400 138.334 84.7133 131.884 133.214 -65.8698 -129.126 30.9504 62.2031 -82.5705 PRESSAVG: 4865400 -8.72174 -52.4856 -9.62723 -52.4856 12.2836 -8.95323 -9.62728 -8.95323 -6.65747 GPRESSAVG: 4865400 -9.15558 -53.2995 -8.61359 -50.3785 13.4827 -9.57272 -9.25626 -9.8344 -7.15774 TIMING: 4865400 CPU: 15190.7, 0.00309393/step Wall: 15190.7, 0.00309393/step, 0.115678 hours remaining, 233.750000 MB of memory in use. ENERGY: 4865400 3984.4019 20438.1205 14466.7247 245.0149 -203650.7797 2865.5560 0.0000 0.0000 51866.4434 -109784.5183 298.0772 -161650.9616 -109427.6235 298.6503 -34.2766 -3.3689 763306.7756 -1.0319 -0.9435 PRESSURE: 4865600 -147.731 -115.727 -62.131 -115.727 210.881 -139.367 -62.1304 -139.367 123.152 GPRESSURE: 4865600 -80.3276 -65.7844 -71.666 -25.4162 226.261 -134.824 -38.6468 -116.534 129.21 PRESSAVG: 4865600 -15.3287 -46.9308 -74.5148 -46.9308 0.53896 -40.1402 -74.5148 -40.1401 -6.134 GPRESSAVG: 4865600 -15.2328 -45.1807 -75.0511 -46.4203 0.453467 -38.9674 -75.3703 -36.3334 -6.38397 TIMING: 4865600 CPU: 15191.3, 0.00310417/step Wall: 15191.3, 0.00310417/step, 0.115889 hours remaining, 233.738281 MB of memory in use. ENERGY: 4865600 3958.8085 20354.6825 14467.2396 267.4468 -204045.9676 3233.0544 0.0000 0.0000 51733.2314 -110031.5044 297.3116 -161764.7358 -109669.3647 297.9703 62.1008 91.7144 763609.4654 -6.9746 -7.0544 PRESSURE: 4865800 66.2219 191.645 39.5602 191.645 -138.662 -14.9067 39.5592 -14.9062 115.651 GPRESSURE: 4865800 96.4633 248.271 29.2708 153.301 -74.5115 -77.7093 65.1837 -136.283 87.9858 PRESSAVG: 4865800 15.094 -3.0146 -17.9097 -3.01464 15.091 14.712 -17.9097 14.7119 0.156385 GPRESSAVG: 4865800 14.7788 -3.30829 -17.607 -3.92499 13.9944 13.7853 -16.8114 11.5746 1.46313 TIMING: 4865800 CPU: 15192, 0.00310959/step Wall: 15192, 0.00310959/step, 0.115919 hours remaining, 233.738281 MB of memory in use. ENERGY: 4865800 3986.0198 20603.1655 14375.7330 260.3769 -203267.1228 2579.1449 0.0000 0.0000 51778.3411 -109684.3416 297.5708 -161462.6827 -109319.5516 297.5648 14.4036 36.6459 762800.2264 10.1138 10.0788 PRESSURE: 4866000 447.137 35.0349 114.961 35.0359 164.055 -63.6101 114.961 -63.6102 -1.72376 GPRESSURE: 4866000 444.893 22.6907 121.721 11.5222 171.577 -79.1918 -86.6143 -6.78973 61.1959 PRESSAVG: 4866000 1.66588 -11.5686 9.799 -11.5687 1.51256 14.2447 9.79898 14.2449 2.79318 GPRESSAVG: 4866000 2.0919 -11.8357 9.47768 -9.60033 3.1214 14.2435 7.05666 13.1039 0.979593 TIMING: 4866000 CPU: 15192.6, 0.0030898/step Wall: 15192.6, 0.0030898/step, 0.115009 hours remaining, 233.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4866000 4016.3280 20422.4186 14506.4440 253.3996 -203833.1122 3052.4756 0.0000 0.0000 52047.7756 -109534.2708 299.1193 -161582.0464 -109177.4734 298.7470 203.1560 225.8887 761503.1185 1.9905 2.0643 PRESSURE: 4866200 -99.2645 -52.4553 -6.54365 -52.4558 -189.976 -88.6935 -6.54296 -88.693 -162.261 GPRESSURE: 4866200 -79.3992 -2.45798 -37.8068 31.4135 -157.66 -35.6735 -72.5277 -91.4823 -119.237 PRESSAVG: 4866200 52.03 -18.6349 -11.3294 -18.6349 1.95804 42.7399 -11.3295 42.74 -0.548901 GPRESSAVG: 4866200 53.4045 -18.3049 -10.4589 -21.7713 1.20211 44.2689 -9.09508 41.2018 -0.675025 TIMING: 4866200 CPU: 15193.2, 0.00310982/step Wall: 15193.2, 0.00310982/step, 0.115582 hours remaining, 233.738281 MB of memory in use. ENERGY: 4866200 4009.9090 20395.1295 14452.1828 254.0948 -203678.3949 2888.8088 0.0000 0.0000 52133.0228 -109545.2471 299.6092 -161678.2699 -109179.9507 298.8568 -150.5004 -118.7655 761158.9221 17.8130 17.9772 PRESSURE: 4866400 288.434 -253.945 -52.0356 -253.944 -70.7622 -108.448 -52.0362 -108.448 359.285 GPRESSURE: 4866400 216.87 -174.78 -62.536 -128.918 85.6335 -9.17632 -60.3299 -58.2064 356.261 PRESSAVG: 4866400 15.8362 59.0815 -4.66285 59.0816 5.76521 52.6811 -4.66282 52.6811 -12.9965 GPRESSAVG: 4866400 14.1401 59.4622 -7.01071 61.0749 6.82491 53.0474 -6.3876 53.6426 -11.7648 TIMING: 4866400 CPU: 15193.8, 0.00310623/step Wall: 15193.8, 0.00310623/step, 0.115276 hours remaining, 233.750000 MB of memory in use. ENERGY: 4866400 3965.9035 20388.9272 14429.2971 262.3548 -203357.0745 2701.7960 0.0000 0.0000 52149.3590 -109459.4369 299.7031 -161608.7959 -109090.6515 299.1853 192.3191 219.5882 760189.0033 2.8683 3.0667 PRESSURE: 4866600 305.942 143.671 -144.071 143.67 84.3023 230.867 -144.07 230.867 374.565 GPRESSURE: 4866600 384.249 210.42 -128.091 240.678 121.175 234.001 -23.5462 149.899 340.238 PRESSAVG: 4866600 -32.4714 31.9741 27.3367 31.9741 27.889 10.0537 27.3366 10.0536 5.16269 GPRESSAVG: 4866600 -31.3403 31.467 28.3325 32.8022 27.7154 8.26883 27.9652 11.3593 3.44932 TIMING: 4866600 CPU: 15194.4, 0.00308889/step Wall: 15194.4, 0.00308889/step, 0.114461 hours remaining, 233.750000 MB of memory in use. ENERGY: 4866600 4021.7115 20508.5536 14545.4101 240.9073 -203501.8641 2955.1418 0.0000 0.0000 51753.9442 -109476.1955 297.4306 -161230.1397 -109105.8859 299.0452 254.9365 281.8877 760382.2720 0.1934 -0.0585 PRESSURE: 4866800 228.544 -104.719 38.1802 -104.72 -181.421 -118.929 38.18 -118.929 30.6334 GPRESSURE: 4866800 269.542 -178.682 -2.97358 -48.1108 -134.91 -126.202 -3.53364 -91.2071 29.4042 PRESSAVG: 4866800 -2.68588 49.0852 -6.83567 49.0852 15.1358 -16.6265 -6.83558 -16.6263 3.01769 GPRESSAVG: 4866800 -3.91328 46.797 -7.04492 49.2002 14.9032 -16.1237 -5.03687 -18.8606 4.41142 TIMING: 4866800 CPU: 15195.1, 0.00309797/step Wall: 15195.1, 0.00309797/step, 0.114625 hours remaining, 233.750000 MB of memory in use. ENERGY: 4866800 4006.7328 20469.9226 14432.3628 245.7350 -203341.1576 2589.1452 0.0000 0.0000 51969.9212 -109627.3381 298.6719 -161597.2592 -109257.7862 298.5877 25.9190 54.6790 760801.7463 5.1559 5.1338 PRESSURE: 4867000 -243.353 179.489 102.377 179.49 -191.39 -174.949 102.378 -174.948 128.813 GPRESSURE: 4867000 -169.366 190.506 167.955 157.401 -79.4923 -101.477 87.5439 -116.186 45.797 PRESSAVG: 4867000 12.5484 67.3933 -7.0875 67.3934 -45.7227 1.6283 -7.08757 1.62828 17.7493 GPRESSAVG: 4867000 12.3622 70.6963 -6.38019 65.3006 -44.518 0.68944 -7.99888 2.66492 16.6742 TIMING: 4867000 CPU: 15195.7, 0.00309065/step Wall: 15195.7, 0.00309065/step, 0.114182 hours remaining, 233.750000 MB of memory in use. ENERGY: 4867000 3995.5018 20426.8275 14495.4550 242.9787 -203353.0199 2620.9387 0.0000 0.0000 51941.8662 -109629.4519 298.5106 -161571.3181 -109256.8558 298.6867 -101.9768 -67.6870 760544.4672 -5.1417 -5.1605 PRESSURE: 4867200 311.841 -86.5857 111.721 -86.5865 327.819 55.3267 111.722 55.3267 311.925 GPRESSURE: 4867200 322.603 -158.302 1.26832 -166.257 363.594 92.0224 35.4898 29.9828 360.892 PRESSAVG: 4867200 -22.8295 34.6401 -8.73764 34.6401 -15.0756 -2.65829 -8.73759 -2.65828 -11.8496 GPRESSAVG: 4867200 -23.9513 33.9144 -8.81249 35.9514 -17.0105 -3.03179 -10.0839 0.754625 -9.01501 TIMING: 4867200 CPU: 15196.3, 0.00313625/step Wall: 15196.3, 0.00313625/step, 0.115693 hours remaining, 233.750000 MB of memory in use. ENERGY: 4867200 4006.2980 20503.4979 14409.2450 245.3645 -204075.9979 3110.6955 0.0000 0.0000 52322.5293 -109478.3676 300.6983 -161800.8969 -109117.7273 299.4600 317.1947 349.0296 759222.6901 -16.5849 -16.6589 PRESSURE: 4867400 165.417 58.7003 137.555 58.6999 45.1481 101.102 137.555 101.101 -132.434 GPRESSURE: 4867400 204.515 88.7854 143.571 -27.1661 92.5598 51.3235 92.658 158.9 -127.066 PRESSAVG: 4867400 -23.1228 13.0373 -11.6857 13.0373 43.2269 6.51931 -11.6859 6.51941 0.818952 GPRESSAVG: 4867400 -21.9271 12.9114 -11.9629 12.8104 43.8987 5.98475 -10.5049 6.54433 -1.14305 TIMING: 4867400 CPU: 15196.9, 0.00312401/step Wall: 15196.9, 0.00312401/step, 0.115068 hours remaining, 233.750000 MB of memory in use. ENERGY: 4867400 3964.3691 20359.6411 14459.6851 245.9950 -203659.5351 2824.7426 0.0000 0.0000 52224.6760 -109580.4262 300.1359 -161805.1022 -109219.4017 299.2511 26.0439 56.6695 760333.5010 6.9744 6.9429 PRESSURE: 4867600 509.99 15.8913 -100.599 15.8908 293.107 -20.4855 -100.599 -20.486 -205.281 GPRESSURE: 4867600 497.232 100.942 -79.7799 124.495 294.03 9.63612 -62.7844 38.1963 -123.484 PRESSAVG: 4867600 -38.4336 -9.01013 60.6434 -9.01014 55.9224 -0.123493 60.6434 -0.123563 1.30931 GPRESSAVG: 4867600 -38.885 -9.05409 61.1714 -9.04526 55.5524 1.00239 63.4654 -3.03479 1.86006 TIMING: 4867600 CPU: 15197.6, 0.00312298/step Wall: 15197.6, 0.00312298/step, 0.114856 hours remaining, 233.750000 MB of memory in use. ENERGY: 4867600 4006.7357 20494.9804 14440.1698 238.8565 -203624.0523 2759.4310 0.0000 0.0000 52212.9705 -109470.9085 300.0687 -161683.8790 -109104.1197 299.3340 199.2717 222.5925 761132.1622 6.2660 6.1758 PRESSURE: 4867800 -12.6169 -64.6543 -170.573 -64.6543 123.017 41.469 -170.573 41.4692 16.897 GPRESSURE: 4867800 -9.18357 -185.949 -143.655 11.3624 155.264 138.606 -141.004 164.811 53.064 PRESSAVG: 4867800 -26.789 18.3787 36.8626 18.3787 19.1747 18.7327 36.8626 18.7327 -18.0537 GPRESSAVG: 4867800 -27.7089 17.39 36.1134 19.0203 19.9162 18.5962 34.2007 20.132 -18.426 TIMING: 4867800 CPU: 15198.2, 0.00312245/step Wall: 15198.2, 0.00312245/step, 0.114663 hours remaining, 233.750000 MB of memory in use. ENERGY: 4867800 3933.6131 20580.7140 14383.7017 264.8567 -203202.6743 2538.8985 0.0000 0.0000 51769.7086 -109731.1817 297.5212 -161500.8903 -109353.1971 298.7213 42.4325 66.3816 759699.7526 -8.5560 -8.7396 PRESSURE: 4868000 79.3891 -54.3943 20.1551 -54.3938 268.388 278.572 20.1538 278.573 -303.183 GPRESSURE: 4868000 162.032 5.3931 -70.3857 -74.1802 184.105 301.959 114.736 192.293 -215.395 PRESSAVG: 4868000 10.6039 4.72246 71.4569 4.72242 1.89953 2.37231 71.4569 2.37234 7.09072 GPRESSAVG: 4868000 12.2384 4.92219 73.8858 4.29589 0.781528 1.62641 70.5571 1.22506 7.09717 TIMING: 4868000 CPU: 15198.8, 0.00313144/step Wall: 15198.8, 0.00313144/step, 0.114819 hours remaining, 233.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4868000 3986.0384 20528.6471 14389.2847 254.3547 -203543.6234 2859.0151 0.0000 0.0000 51928.4251 -109597.8582 298.4334 -161526.2833 -109245.8708 298.6319 14.8646 43.5808 761566.7503 6.5314 6.7057 PRESSURE: 4868200 -213.815 -49.7337 -29.0797 -49.7334 -341.032 -15.4325 -29.0803 -15.4319 14.3943 GPRESSURE: 4868200 -165.445 -25.9104 6.64758 -46.2014 -284.958 36.1433 40.1998 -111.753 11.9081 PRESSAVG: 4868200 -47.5429 -10.6901 67.3372 -10.6901 12.9944 33.1617 67.3372 33.1617 6.38183 GPRESSAVG: 4868200 -48.8537 -9.92213 65.9746 -11.8454 14.7542 33.5188 68.7599 33.3976 5.75527 TIMING: 4868200 CPU: 15199.4, 0.00312688/step Wall: 15199.4, 0.00312688/step, 0.114479 hours remaining, 233.750000 MB of memory in use. ENERGY: 4868200 3972.6735 20546.1745 14342.7559 237.5513 -203404.2513 2647.6227 0.0000 0.0000 52049.0328 -109608.4406 299.1265 -161657.4734 -109243.3426 298.6416 -180.1509 -146.1649 762463.5716 -9.3889 -9.4481 LDB: ============= START OF LOAD BALANCING ============== 15211.9 LDB: ============== END OF LOAD BALANCING =============== 15211.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15211.9 LDB: ============= START OF LOAD BALANCING ============== 15212.2 LDB: Largest compute 7028 load 0.032324 is 16.5% of average load 0.195357 LDB: Average compute 0.004426 is 2.3% of average load 0.195357 LDB: TIME 15212.2 LOAD: AVG 0.195357 MAX 0.217377 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.031 MB LDB: TIME 15212.2 LOAD: AVG 0.195357 MAX 0.217377 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.098 MB LDB: TIME 15212.2 LOAD: AVG 0.195357 MAX 0.217377 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.098 MB LDB: ============== END OF LOAD BALANCING =============== 15212.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15212.2 PRESSURE: 4868400 278.336 -152.496 -193.004 -152.497 267.028 -31.9373 -193.003 -31.9371 572.987 GPRESSURE: 4868400 374.487 -215.209 -174.211 -107.956 271.319 2.93281 -210.365 16.6049 551.031 PRESSAVG: 4868400 45.6749 -7.19381 -15.956 -7.19386 -69.3896 30.3472 -15.956 30.3473 34.9764 GPRESSAVG: 4868400 45.9831 -8.13501 -16.6069 -6.89234 -69.7099 31.394 -15.7136 31.7931 34.8121 TIMING: 4868400 CPU: 15200.1, 0.00321121/step Wall: 15200.1, 0.00321121/step, 0.117387 hours remaining, 234.519531 MB of memory in use. ENERGY: 4868400 4035.1549 20511.6885 14450.9600 232.5088 -203396.1720 2883.2384 0.0000 0.0000 51942.2814 -109340.3400 298.5130 -161282.6214 -108984.3489 298.7445 372.7836 398.9457 760898.6968 3.7539 3.6951 PRESSURE: 4868600 504.205 37.8209 -27.7247 37.8208 101.952 252.233 -27.7248 252.233 3.57201 GPRESSURE: 4868600 472.406 36.445 -59.4162 87.0756 197.69 180.144 125.318 154.292 16.7808 PRESSAVG: 4868600 27.3565 32.0409 21.0191 32.0409 5.38449 30.9624 21.0191 30.9623 16.347 GPRESSAVG: 4868600 27.5895 32.2346 21.0313 32.2904 4.89055 32.7997 21.8426 29.0788 16.2873 TIMING: 4868600 CPU: 15200.7, 0.00312848/step Wall: 15200.7, 0.00312848/step, 0.114189 hours remaining, 234.519531 MB of memory in use. ENERGY: 4868600 3950.7974 20390.7062 14404.6132 255.6668 -203377.7854 2934.2994 0.0000 0.0000 52039.9834 -109401.7190 299.0745 -161441.7024 -109037.1576 298.7836 203.2429 228.9589 762183.1726 16.3627 16.2558 PRESSURE: 4868800 120.347 -112.277 -27.0839 -112.277 243.876 -25.1201 -27.0842 -25.1191 176.007 GPRESSURE: 4868800 115.364 -155.322 -89.9866 -181.35 270.688 -52.2044 -136.328 162.69 232.648 PRESSAVG: 4868800 1.7802 40.0444 35.5855 40.0444 -13.9576 -6.5301 35.5855 -6.52998 8.43114 GPRESSAVG: 4868800 2.02129 41.5584 35.1477 37.7701 -14.7662 -8.70247 35.0692 -7.58907 8.68616 TIMING: 4868800 CPU: 15201.3, 0.00313769/step Wall: 15201.3, 0.00313769/step, 0.114351 hours remaining, 234.722656 MB of memory in use. ENERGY: 4868800 3954.0208 20491.7148 14485.7221 242.5529 -203291.2515 2818.0807 0.0000 0.0000 51838.9514 -109460.2089 297.9192 -161299.1603 -109106.5403 298.7341 180.0764 206.2332 762595.1323 -1.2487 -1.3529 PRESSURE: 4869000 -109.636 222.001 96.4977 222 -305.736 22.6546 96.4978 22.6544 284.75 GPRESSURE: 4869000 -87.934 194.934 36.4455 148.57 -275.294 -25.7068 191.031 -33.501 311.319 PRESSAVG: 4869000 -22.3629 -28.0423 -49.5149 -28.0423 -16.4516 16.0764 -49.5148 16.0763 -9.8765 GPRESSAVG: 4869000 -21.9715 -29.4992 -47.9612 -25.1514 -16.83 16.7941 -50.5894 17.7325 -10.5669 TIMING: 4869000 CPU: 15202, 0.00313424/step Wall: 15202, 0.00313424/step, 0.114052 hours remaining, 234.722656 MB of memory in use. ENERGY: 4869000 4062.6906 20476.0560 14461.8208 261.1598 -203119.6992 2585.9311 0.0000 0.0000 51810.8305 -109461.2103 297.7576 -161272.0408 -109093.9724 298.9833 -43.5407 -17.3030 763398.7124 -16.2303 -16.4561 PRESSURE: 4869200 -212.304 98.6551 142.37 98.655 -183.998 184.663 142.369 184.662 138.297 GPRESSURE: 4869200 -202.547 52.9447 168.078 46.415 -133.743 126.522 52.206 82.5187 168.008 PRESSAVG: 4869200 18.0031 9.11042 -16.3193 9.11044 -43.5293 6.89323 -16.3193 6.89326 3.62865 GPRESSAVG: 4869200 17.1138 9.53478 -16.8599 7.29463 -42.6615 6.85113 -16.5074 5.25591 4.10634 TIMING: 4869200 CPU: 15202.6, 0.00313524/step Wall: 15202.6, 0.00313524/step, 0.113914 hours remaining, 234.722656 MB of memory in use. ENERGY: 4869200 3964.5358 20775.9247 14405.1102 257.9355 -203222.9663 2578.4933 0.0000 0.0000 52006.6933 -109234.2734 298.8832 -161240.9667 -108877.7757 299.4189 -86.0016 -56.0938 763640.3713 -7.2992 -7.1471 PRESSURE: 4869400 -232.406 -74.5006 24.6544 -74.5003 -110.77 -55.6979 24.6553 -55.6986 10.3028 GPRESSURE: 4869400 -157.866 -121.273 116.332 -100.602 -142.827 -63.8185 62.8264 -42.2467 36.5499 PRESSAVG: 4869400 -6.3439 56.9543 -48.5959 56.9543 -4.61581 -18.2971 -48.5959 -18.2971 15.7234 GPRESSAVG: 4869400 -5.8009 55.8941 -48.4618 58.137 -5.13659 -18.681 -46.3895 -17.8668 15.0069 TIMING: 4869400 CPU: 15203.2, 0.00310103/step Wall: 15203.2, 0.00310103/step, 0.112499 hours remaining, 234.710938 MB of memory in use. ENERGY: 4869400 3988.9466 20529.7656 14386.5265 248.1384 -203019.2337 2542.7189 0.0000 0.0000 52102.7556 -109220.3821 299.4353 -161323.1377 -108853.3968 299.5413 -110.9577 -88.0478 761752.6468 1.5879 1.3565 PRESSURE: 4869600 -108.49 -54.9549 -212.242 -54.9546 -48.1589 32.5562 -212.242 32.5551 -128.49 GPRESSURE: 4869600 92.4911 -39.9058 -227.61 73.8397 -115.24 53.169 -209.641 -7.12883 -181.757 PRESSAVG: 4869600 -64.9899 27.4543 7.44025 27.4542 60.7275 1.85376 7.44025 1.85372 2.21452 GPRESSAVG: 4869600 -63.1031 27.4218 7.04483 26.6935 60.0574 2.65886 5.3914 1.23054 1.39783 TIMING: 4869600 CPU: 15203.8, 0.00312978/step Wall: 15203.8, 0.00312978/step, 0.113367 hours remaining, 234.722656 MB of memory in use. ENERGY: 4869600 4005.2404 20512.8149 14465.9780 252.1066 -203086.3103 2532.4319 0.0000 0.0000 52043.8555 -109273.8829 299.0968 -161317.7385 -108917.2296 299.8204 -95.0464 -68.1686 762276.9416 -0.6826 -0.5493 PRESSURE: 4869800 -256.658 -83.8408 -53.6232 -83.8413 -368.836 222.087 -53.6214 222.088 -417.654 GPRESSURE: 4869800 -223.417 -53.6942 1.15323 -86.7489 -423.623 208.568 -81.257 169.274 -304.58 PRESSAVG: 4869800 -53.1101 28.351 32.1052 28.3509 2.18496 0.711075 32.1052 0.711077 12.7773 GPRESSAVG: 4869800 -53.4372 29.6222 32.7966 29.1276 3.07141 -0.780077 32.9461 0.596339 12.7633 TIMING: 4869800 CPU: 15204.5, 0.00318226/step Wall: 15204.5, 0.00318226/step, 0.115092 hours remaining, 234.722656 MB of memory in use. ENERGY: 4869800 3991.2971 20509.2488 14473.7714 257.7321 -202981.1773 2346.3860 0.0000 0.0000 52017.0057 -109385.7361 298.9424 -161402.7418 -109017.9019 299.4952 -347.7157 -317.2066 763700.2713 -12.7159 -12.5342 PRESSURE: 4870000 12.2898 129.762 139.669 129.763 13.049 -43.0668 139.669 -43.0668 -239.586 GPRESSURE: 4870000 4.2699 89.3626 85.5027 105.126 42.8127 -6.20804 259.996 54.2785 -175.369 PRESSAVG: 4870000 -23.1263 24.1687 -19.8275 24.1687 20.3097 3.75166 -19.8275 3.75166 -15.1572 GPRESSAVG: 4870000 -24.2738 22.3058 -18.5811 24.6998 19.7032 5.26557 -22.599 2.93422 -13.0839 TIMING: 4870000 CPU: 15205.1, 0.00310098/step Wall: 15205.1, 0.00310098/step, 0.11198 hours remaining, 234.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4870000 3965.7445 20485.4577 14500.1321 236.0040 -203489.8120 2741.0841 0.0000 0.0000 52038.6028 -109522.7869 299.0666 -161561.3897 -109157.7217 298.8383 -71.4158 -42.7620 760489.5554 -5.9912 -5.8848 PRESSURE: 4870200 -244.011 -16.1708 -60.1124 -16.1703 6.56646 -25.1407 -60.1119 -25.1422 -140.902 GPRESSURE: 4870200 -205.359 -82.2866 -48.0487 -63.8395 32.5253 25.2203 -56.0506 -130.215 -123.596 PRESSAVG: 4870200 -12.8149 -7.53931 -12.7361 -7.53927 -1.8375 27.6217 -12.7361 27.6217 -16.9386 GPRESSAVG: 4870200 -11.051 -5.93715 -14.2893 -7.91463 -3.00666 28.1006 -10.3848 27.8459 -17.5239 TIMING: 4870200 CPU: 15205.7, 0.00309159/step Wall: 15205.7, 0.00309159/step, 0.111469 hours remaining, 234.710938 MB of memory in use. ENERGY: 4870200 3928.2168 20590.3619 14417.9477 244.5444 -203300.0968 2357.8503 0.0000 0.0000 52069.2928 -109691.8830 299.2429 -161761.1758 -109322.9323 298.8569 -126.1157 -98.8099 760796.2914 -10.5303 -10.5272 PRESSURE: 4870400 -336.782 -45.9637 120.112 -45.9629 -407.679 -213.647 120.111 -213.648 -68.8889 GPRESSURE: 4870400 -264.93 -1.21796 103.184 -71.3359 -319.828 -145.025 69.1729 -169.305 -141.225 PRESSAVG: 4870400 26.1285 47.0705 -10.4694 47.0705 -37.6253 -2.58732 -10.4694 -2.58733 2.6286 GPRESSAVG: 4870400 24.8411 45.6226 -11.185 46.6518 -35.6723 -2.68433 -10.0048 -1.7242 2.59974 TIMING: 4870400 CPU: 15206.3, 0.0030967/step Wall: 15206.3, 0.0030967/step, 0.111481 hours remaining, 234.722656 MB of memory in use. ENERGY: 4870400 4005.4845 20434.9805 14457.9159 235.4206 -203487.7973 2488.1006 0.0000 0.0000 52138.0137 -109727.8816 299.6379 -161865.8953 -109359.8997 298.9123 -271.1166 -241.9944 761705.0256 -2.9561 -2.7438 PRESSURE: 4870600 100.041 -40.254 33.3726 -40.2553 -52.7202 157.052 33.3738 157.052 -142.529 GPRESSURE: 4870600 72.0342 -96.4266 104.223 -51.1747 -45.5678 183.857 -18.265 9.39224 -46.2511 PRESSAVG: 4870600 -15.2792 -17.3892 4.1105 -17.3892 43.439 -12.5624 4.11057 -12.5624 5.02431 GPRESSAVG: 4870600 -15.3226 -17.6562 4.1049 -17.0842 43.3986 -13.5218 3.38944 -12.7603 4.79754 TIMING: 4870600 CPU: 15206.9, 0.00310685/step Wall: 15206.9, 0.00310685/step, 0.111674 hours remaining, 234.710938 MB of memory in use. ENERGY: 4870600 3980.0921 20672.9005 14448.1635 226.6445 -203923.7381 2953.2128 0.0000 0.0000 51882.5004 -109760.2243 298.1694 -161642.7248 -109394.4982 298.7909 -31.7364 -6.5949 760420.4570 11.0614 10.9578 PRESSURE: 4870800 -314.736 64.8015 59.6071 64.802 45.5418 23.4326 59.6072 23.4328 -88.906 GPRESSURE: 4870800 -282.777 -78.7939 54.1519 109.241 52.0137 112.615 149.671 -30.922 -49.6526 PRESSAVG: 4870800 -47.8357 40.4074 8.46818 40.4073 19.7402 14.563 8.46815 14.5631 1.24129 GPRESSAVG: 4870800 -46.8085 39.8622 9.5525 39.046 18.6604 16.1064 7.78332 14.3883 0.663205 TIMING: 4870800 CPU: 15207.6, 0.00311639/step Wall: 15207.6, 0.00311639/step, 0.111844 hours remaining, 234.722656 MB of memory in use. ENERGY: 4870800 3953.9691 20449.7695 14402.0981 238.4906 -203245.8639 2543.3409 0.0000 0.0000 51854.0314 -109804.1644 298.0058 -161658.1958 -109428.3160 298.8394 -119.3668 -93.4719 762606.9629 -8.9514 -9.1616 PRESSURE: 4871000 234.177 -17.2318 -30.1884 -17.2324 307.024 -160.618 -30.1882 -160.618 -274.405 GPRESSURE: 4871000 256.455 -62.4573 -20.7615 80.7526 329.964 -237.459 -30.5834 -196.479 -225.896 PRESSAVG: 4871000 -32.6829 14.4225 -20.2847 14.4225 -11.6566 -1.64064 -20.2847 -1.64063 24.4684 GPRESSAVG: 4871000 -33.5806 15.4247 -20.5296 15.0591 -10.5486 -3.94405 -20.0506 -0.47291 24.6651 TIMING: 4871000 CPU: 15208.2, 0.00312215/step Wall: 15208.2, 0.00312215/step, 0.111877 hours remaining, 234.722656 MB of memory in use. ENERGY: 4871000 3972.3507 20304.2244 14421.8540 229.5761 -203720.5955 2896.7646 0.0000 0.0000 52056.6664 -109839.1592 299.1704 -161895.8256 -109472.7297 297.9355 88.9319 120.1742 763386.5244 -6.6237 -6.4881 PRESSURE: 4871200 274.883 25.0527 -185.757 25.0532 -214.641 -2.58312 -185.756 -2.5837 -458.938 GPRESSURE: 4871200 294.479 36.7602 -188.119 77.8852 -160.412 35.5089 -160.594 -53.7796 -459.922 PRESSAVG: 4871200 0.0578888 6.02561 -26.5923 6.02563 -1.67775 1.16652 -26.5922 1.16648 5.10075 GPRESSAVG: 4871200 0.982983 6.12057 -26.5181 6.13747 -2.62497 2.88491 -24.9689 -0.692541 5.1869 TIMING: 4871200 CPU: 15208.8, 0.00310716/step Wall: 15208.8, 0.00310716/step, 0.111167 hours remaining, 234.722656 MB of memory in use. ENERGY: 4871200 4047.4641 20414.0622 14438.3984 243.6481 -203145.8632 2454.8534 0.0000 0.0000 51746.2037 -109801.2332 297.3861 -161547.4370 -109432.4923 297.9070 -132.8983 -108.6184 764946.3498 1.1603 1.1816 PRESSURE: 4871400 37.0167 18 166.226 18.0001 -239.508 -117.779 166.225 -117.779 -435.311 GPRESSURE: 4871400 37.4739 63.9214 96.9485 73.0043 -163.659 -28.1528 60.4075 -74.2891 -432.431 PRESSAVG: 4871400 -6.0692 71.6711 -5.1572 71.6711 33.0452 5.81562 -5.15718 5.81564 7.45368 GPRESSAVG: 4871400 -6.75348 72.2696 -5.34874 73.0266 33.0204 4.26298 -6.08729 7.69562 8.06935 TIMING: 4871400 CPU: 15209.4, 0.00312362/step Wall: 15209.4, 0.00312362/step, 0.111583 hours remaining, 234.722656 MB of memory in use. ENERGY: 4871400 4032.7135 20550.1420 14441.7733 225.3664 -203274.0300 2589.9459 0.0000 0.0000 51794.0953 -109639.9937 297.6614 -161434.0891 -109282.0138 298.3610 -212.6007 -186.2055 763202.1397 11.4766 11.4454 PRESSURE: 4871600 -136.192 -22.6039 -70.463 -22.605 -116.286 71.512 -70.4632 71.5119 -309.29 GPRESSURE: 4871600 -97.6803 -32.353 2.48664 -18.818 -132.704 28.2068 3.58435 143.917 -248.213 PRESSAVG: 4871600 -75.5216 -20.6038 -18.7333 -20.6038 82.9998 13.6676 -18.7333 13.6676 1.33644 GPRESSAVG: 4871600 -74.1826 -21.5076 -18.7312 -22.7109 83.1293 14.3063 -18.0227 11.9166 0.634531 TIMING: 4871600 CPU: 15210.1, 0.00313542/step Wall: 15210.1, 0.00313542/step, 0.11183 hours remaining, 234.722656 MB of memory in use. ENERGY: 4871600 4001.7652 20350.9265 14456.8934 239.2744 -203537.7514 2684.8071 0.0000 0.0000 52211.7996 -109592.2853 300.0619 -161804.0849 -109225.4304 298.7840 -187.2557 -159.5327 762093.3387 2.9382 3.1937 PRESSURE: 4871800 -353.566 55.3165 28.1488 55.3166 -46.296 -102.903 28.1488 -102.903 169.963 GPRESSURE: 4871800 -329.353 94.4787 28.9145 -67.786 30.6531 -78.0997 38.5513 -18.1205 143.859 PRESSAVG: 4871800 -71.4715 53.6411 25.1988 53.6411 70.1573 -7.93741 25.1988 -7.93743 5.08949 GPRESSAVG: 4871800 -71.6931 56.5036 23.2452 55.2084 71.9597 -7.47592 24.3537 -5.38056 3.83779 TIMING: 4871800 CPU: 15210.7, 0.00309676/step Wall: 15210.7, 0.00309676/step, 0.110279 hours remaining, 234.722656 MB of memory in use. ENERGY: 4871800 4018.3608 20501.3030 14364.8603 242.7490 -203420.3460 2748.8603 0.0000 0.0000 52298.8983 -109245.3143 300.5625 -161544.2126 -108877.4095 299.3764 -76.6329 -51.6136 761162.4020 1.2584 1.3681 PRESSURE: 4872000 410.484 34.3057 -6.25023 34.3058 139.498 -168.64 -6.25102 -168.641 381.451 GPRESSURE: 4872000 427.954 83.8881 -10.4542 -51.119 158.554 -190.37 -18.6997 -148.38 411.097 PRESSAVG: 4872000 -14.488 18.3915 6.84808 18.3914 -5.6394 -32.4071 6.84814 -32.4072 -20.3666 GPRESSAVG: 4872000 -14.1608 15.8914 7.66948 18.5409 -7.74592 -32.2182 6.50331 -35.0519 -18.7526 TIMING: 4872000 CPU: 15211.3, 0.00313106/step Wall: 15211.3, 0.00313106/step, 0.111326 hours remaining, 234.722656 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: 4872000 4064.5305 20616.4413 14410.1242 229.0717 -203823.5058 3026.3105 0.0000 0.0000 52103.5933 -109373.4342 299.4401 -161477.0276 -109019.2507 299.3314 310.4775 332.5349 760104.3915 -13.4980 -13.5531 PRESSURE: 4872200 174.206 -36.8655 -36.0828 -36.866 336.751 81.6078 -36.083 81.6068 209.209 GPRESSURE: 4872200 136.342 -45.6644 -3.21248 8.70271 452.49 12.2287 87.2459 138.102 206.658 PRESSAVG: 4872200 -16.5597 1.10763 -4.0088 1.10764 50.8939 -30.0467 -4.00873 -30.0467 -2.67052 GPRESSAVG: 4872200 -16.8978 1.42733 -4.79046 0.666668 52.4939 -30.8247 -3.25904 -30.1626 -4.06789 TIMING: 4872200 CPU: 15211.9, 0.00312038/step Wall: 15211.9, 0.00312038/step, 0.110773 hours remaining, 234.722656 MB of memory in use. ENERGY: 4872200 4053.3755 20587.1911 14403.5843 234.7735 -203439.9939 2847.5403 0.0000 0.0000 51982.7228 -109330.8065 298.7454 -161313.5292 -108959.5276 299.3049 240.0552 265.1633 763678.1082 10.5546 10.5094 LDB: ============= START OF LOAD BALANCING ============== 15224.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15224.4 LDB: =============== DONE WITH MIGRATION ================ 15224.4 LDB: ============= START OF LOAD BALANCING ============== 15224.7 LDB: Largest compute 7045 load 0.031621 is 16.2% of average load 0.195378 LDB: Average compute 0.004415 is 2.3% of average load 0.195378 LDB: TIME 15224.7 LOAD: AVG 0.195378 MAX 0.21832 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.648 MB LDB: TIME 15224.7 LOAD: AVG 0.195378 MAX 0.21832 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.648 MB LDB: TIME 15224.7 LOAD: AVG 0.195378 MAX 0.214435 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.648 MB LDB: ============== END OF LOAD BALANCING =============== 15224.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15224.7 PRESSURE: 4872400 -349.051 200.176 -77.3174 200.177 -70.8702 -85.6924 -77.3173 -85.6922 132.178 GPRESSURE: 4872400 -295.003 206.96 -97.0017 161.85 32.7956 -101.931 67.1029 10.4949 73.7612 PRESSAVG: 4872400 -29.8451 5.56892 -12.0548 5.5689 21.9893 -54.3288 -12.0547 -54.3287 27.3719 GPRESSAVG: 4872400 -30.1064 7.3876 -9.90118 5.58841 21.6182 -54.2498 -12.6423 -51.5922 27.869 TIMING: 4872400 CPU: 15212.6, 0.00318504/step Wall: 15212.6, 0.00318504/step, 0.112892 hours remaining, 234.964844 MB of memory in use. ENERGY: 4872400 3977.0408 20571.7578 14496.0913 233.4176 -203448.9198 2860.8750 0.0000 0.0000 51945.1557 -109364.5817 298.5295 -161309.7374 -108993.0618 298.9918 -95.9143 -62.8154 763634.0889 6.5054 6.4603 PRESSURE: 4872600 -289.672 53.9848 371.848 53.9845 -235.781 -18.2521 371.847 -18.252 432.173 GPRESSURE: 4872600 -191.015 -30.6278 303.782 211.728 -244.669 -114.623 362.716 -149.345 435.205 PRESSAVG: 4872600 -54.1714 -2.69585 19.4754 -2.69583 55.6391 -14.9586 19.4754 -14.9585 0.4712 GPRESSAVG: 4872600 -53.1401 -3.23669 17.6028 -2.91127 54.0008 -14.8556 19.5383 -17.3818 1.1383 TIMING: 4872600 CPU: 15213.2, 0.00311412/step Wall: 15213.2, 0.00311412/step, 0.110205 hours remaining, 235.187500 MB of memory in use. ENERGY: 4872600 3984.3062 20515.1602 14453.7092 250.6617 -203538.2564 2838.3065 0.0000 0.0000 52194.8585 -109301.2540 299.9646 -161496.1125 -108920.3902 299.3413 -31.0930 -0.1593 764452.8736 0.6463 0.6663 PRESSURE: 4872800 -181.486 237.312 46.5676 237.313 -146.526 142.89 46.5678 142.891 -43.4897 GPRESSURE: 4872800 -16.7551 241.118 -8.93385 148.14 -96.8202 182.158 91.1598 118.469 -158.081 PRESSAVG: 4872800 -23.9497 38.024 69.1593 38.024 11.2358 -4.25465 69.1593 -4.25464 18.8402 GPRESSAVG: 4872800 -23.8841 37.3971 70.727 37.5981 11.7466 -3.50596 70.0119 -3.3858 18.6225 TIMING: 4872800 CPU: 15213.8, 0.00311738/step Wall: 15213.8, 0.00311738/step, 0.110147 hours remaining, 235.390625 MB of memory in use. ENERGY: 4872800 4024.1809 20626.4970 14505.5258 242.8993 -203930.0260 2957.8138 0.0000 0.0000 52168.6079 -109404.5012 299.8137 -161573.1092 -109047.4552 299.9302 -123.8339 -90.5522 761829.9201 2.0421 2.1617 PRESSURE: 4873000 182.864 -122.178 0.556428 -122.179 -149.826 -126.232 0.556629 -126.233 -113.583 GPRESSURE: 4873000 113.489 -61.9911 34.105 -121.725 -63.4184 -237.069 -64.2365 21.2877 -65.8002 PRESSAVG: 4873000 23.1491 25.1836 5.07241 25.1835 -31.7467 15.6855 5.07245 15.6855 23.6737 GPRESSAVG: 4873000 22.3591 26.0581 3.50986 23.917 -31.3934 13.6605 4.56117 15.0252 23.8549 TIMING: 4873000 CPU: 15214.4, 0.00312859/step Wall: 15214.4, 0.00312859/step, 0.11037 hours remaining, 235.390625 MB of memory in use. ENERGY: 4873000 3988.9742 20742.5555 14396.6355 245.7307 -203503.1059 2819.8470 0.0000 0.0000 51868.5318 -109440.8312 298.0892 -161309.3630 -109091.7138 299.5369 -26.8483 -5.2432 762885.6949 5.0254 4.9402 PRESSURE: 4873200 -370.168 -66.5555 -166.67 -66.5554 -173.973 -43.8741 -166.669 -43.8738 -7.22489 GPRESSURE: 4873200 -314.792 72.0701 -126.563 -58.8534 -191.068 -158.115 -236.847 16.0491 24.4357 PRESSAVG: 4873200 5.59815 -11.5293 -17.4226 -11.5293 20.1389 32.0144 -17.4227 32.0144 -10.7932 GPRESSAVG: 4873200 5.77179 -12.0322 -16 -10.3977 19.5776 32.9676 -17.6033 32.3623 -10.6915 TIMING: 4873200 CPU: 15215.1, 0.00314327/step Wall: 15215.1, 0.00314327/step, 0.110713 hours remaining, 235.390625 MB of memory in use. ENERGY: 4873200 4028.7039 20619.3108 14404.9207 226.0062 -203288.9401 2557.2239 0.0000 0.0000 52247.0599 -109205.7147 300.2646 -161452.7746 -108835.5958 299.2121 -183.7886 -160.4747 763067.7481 4.9813 4.8860 PRESSURE: 4873400 51.876 -144.167 229.776 -144.168 -485.532 -330.351 229.775 -330.351 240.639 GPRESSURE: 4873400 87.0928 -145.417 205.967 -94.4737 -434.178 -283.546 190.985 -258.624 232.335 PRESSAVG: 4873400 -13.5561 -23.477 25.6677 -23.477 -16.3512 -9.74608 25.6677 -9.74605 -4.44697 GPRESSAVG: 4873400 -12.9606 -22.9267 24.3073 -23.0056 -16.4833 -7.9915 27.564 -11.6877 -4.95684 TIMING: 4873400 CPU: 15215.7, 0.00312582/step Wall: 15215.7, 0.00312582/step, 0.109925 hours remaining, 235.390625 MB of memory in use. ENERGY: 4873400 3992.4045 20572.6656 14441.4595 267.6038 -203148.5971 2638.2862 0.0000 0.0000 52110.3751 -109125.8023 299.4790 -161236.1774 -108762.3095 299.1641 -64.3390 -38.2499 764398.2300 -11.4514 -11.4669 PRESSURE: 4873600 -171.715 179.039 41.6534 179.041 143.941 -202.574 41.6548 -202.574 15.5574 GPRESSURE: 4873600 -142.487 188.482 56.0889 127.548 190.025 -138.087 194.687 -139.921 28.9136 PRESSAVG: 4873600 12.6689 -15.6154 -21.9961 -15.6155 -5.02383 -5.94587 -21.996 -5.9459 -12.0229 GPRESSAVG: 4873600 11.4694 -14.6655 -21.7046 -15.6281 -5.10219 -7.65244 -26.2361 -3.6144 -11.274 TIMING: 4873600 CPU: 15216.3, 0.00316149/step Wall: 15216.3, 0.00316149/step, 0.111003 hours remaining, 235.390625 MB of memory in use. ENERGY: 4873600 4010.3566 20584.5196 14496.0642 266.9286 -203562.5813 2930.8510 0.0000 0.0000 52049.4256 -109224.4358 299.1288 -161273.8614 -108869.4625 300.2330 -4.0722 25.4838 762533.8905 -1.4593 -1.6356 PRESSURE: 4873800 -39.6931 272 -170.56 272 -72.2611 62.9924 -170.56 62.9921 -209.962 GPRESSURE: 4873800 38.7072 223.687 -190.42 264.501 -30.7842 58.3289 -112.827 54.1835 -249.439 PRESSAVG: 4873800 -42.9196 14.9336 -1.89945 14.9336 48.9164 22.226 -1.89943 22.226 -11.8617 GPRESSAVG: 4873800 -41.4769 13.083 -3.14223 14.5384 48.2964 23.296 2.27878 21.5535 -12.9081 TIMING: 4873800 CPU: 15217, 0.00316717/step Wall: 15217, 0.00316717/step, 0.111027 hours remaining, 235.375000 MB of memory in use. ENERGY: 4873800 4012.3529 20501.3950 14505.6500 250.4483 -203190.9147 2666.4982 0.0000 0.0000 52001.5499 -109253.0204 298.8536 -161254.5703 -108882.1498 299.7755 -107.3054 -80.5053 763068.1269 -1.9550 -2.0295 PRESSURE: 4874000 71.1721 27.7728 120.38 27.7735 -37.5643 -127.259 120.379 -127.259 174.881 GPRESSURE: 4874000 90.0328 -76.3008 135.145 74.7407 41.4407 -74.3877 8.35563 -44.5471 129.878 PRESSAVG: 4874000 -32.7565 -39.9313 -24.7394 -39.9313 52.1993 -38.3572 -24.7394 -38.3573 14.1633 GPRESSAVG: 4874000 -33.7202 -39.0633 -24.0738 -38.7685 52.1637 -36.9669 -27.8483 -37.4472 14.5504 TIMING: 4874000 CPU: 15217.6, 0.00314757/step Wall: 15217.6, 0.00314757/step, 0.110165 hours remaining, 235.375000 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: 4874000 4064.7898 20620.8012 14438.6569 249.1417 -203262.9999 2612.9273 0.0000 0.0000 52069.3242 -109207.3588 299.2431 -161276.6830 -108845.1933 299.5733 69.4963 87.1172 762740.5306 11.2020 10.9980 PRESSURE: 4874200 -340.672 -27.8694 71.33 -27.8681 -352.453 -80.4629 71.3293 -80.4623 -693.756 GPRESSURE: 4874200 -342.816 -15.5929 4.45375 -97.4045 -268.082 -192.019 61.3359 -124.992 -700.483 PRESSAVG: 4874200 -60.4251 -24.2358 -12.8938 -24.2358 38.6396 34.1362 -12.8938 34.1362 7.23983 GPRESSAVG: 4874200 -61.1883 -25.0164 -12.2719 -26.0146 39.3344 31.6962 -11.8845 33.2139 7.43962 TIMING: 4874200 CPU: 15218.2, 0.00317239/step Wall: 15218.2, 0.00317239/step, 0.110857 hours remaining, 235.375000 MB of memory in use. ENERGY: 4874200 3949.6944 20555.6088 14487.4593 237.1414 -202948.8881 2458.2983 0.0000 0.0000 52040.7991 -109219.8868 299.0792 -161260.6859 -108851.0636 299.1707 -462.2934 -437.1270 763568.0219 -4.8485 -4.8047 PRESSURE: 4874400 143.337 -120.492 -136.876 -120.491 146.256 -188.651 -136.877 -188.651 139.514 GPRESSURE: 4874400 78.0197 -61.3064 -163.404 -6.5054 288.285 -178.71 -228.137 -142.738 134.31 PRESSAVG: 4874400 -51.0684 -8.19621 -53.3065 -8.19622 83.3835 25.2537 -53.3066 25.2537 -11.8244 GPRESSAVG: 4874400 -50.9063 -8.34238 -53.9163 -5.07889 83.5004 26.7362 -52.4712 24.7858 -12.2307 TIMING: 4874400 CPU: 15218.9, 0.00316194/step Wall: 15218.9, 0.00316194/step, 0.110316 hours remaining, 235.527344 MB of memory in use. ENERGY: 4874400 4026.1503 20606.1666 14417.8505 241.8934 -203577.2763 2936.8581 0.0000 0.0000 52149.6534 -109198.7039 299.7048 -161348.3573 -108839.0074 299.2390 143.0356 166.8715 763000.9430 6.8303 6.7878 PRESSURE: 4874600 98.7186 20.9032 -187.803 20.9022 88.1114 -33.8508 -187.803 -33.851 61.9999 GPRESSURE: 4874600 160.564 -39.5849 -211.842 82.3658 69.2874 -22.0487 -215.021 73.8382 110.189 PRESSAVG: 4874600 -4.26601 -12.8293 -28.9584 -12.8293 7.36268 4.08788 -28.9585 4.08782 23.186 GPRESSAVG: 4874600 -3.50887 -12.6408 -29.9699 -13.8336 6.87494 2.47595 -30.8724 5.45005 23.051 TIMING: 4874600 CPU: 15219.5, 0.00318023/step Wall: 15219.5, 0.00318023/step, 0.110778 hours remaining, 235.527344 MB of memory in use. ENERGY: 4874600 3947.3879 20731.2018 14469.2931 244.8385 -203380.9532 2678.0110 0.0000 0.0000 52004.7577 -109305.4633 298.8721 -161310.2210 -108941.7893 299.7773 82.9433 113.3466 761638.5617 8.7609 8.8057 PRESSURE: 4874800 -15.2024 -77.5001 -35.0491 -77.4999 216.357 5.96716 -35.0477 5.9661 73.9295 GPRESSURE: 4874800 -23.0238 51.8505 85.0764 -94.4371 275.943 47.6153 64.092 125.897 107.843 PRESSAVG: 4874800 21.2968 -60.2168 -22.6242 -60.2168 -4.05637 -54.8256 -22.6242 -54.8256 1.27807 GPRESSAVG: 4874800 21.0228 -59.3011 -21.7512 -59.9675 -4.23004 -53.2795 -21.4702 -55.9256 2.09983 TIMING: 4874800 CPU: 15220.1, 0.00316924/step Wall: 15220.1, 0.00316924/step, 0.110219 hours remaining, 235.527344 MB of memory in use. ENERGY: 4874800 4026.5814 20599.0293 14389.5242 233.7428 -203175.9327 2473.3602 0.0000 0.0000 52300.4395 -109153.2553 300.5713 -161453.6948 -108791.8762 299.7264 91.6945 120.2541 761135.0285 6.1728 6.2975 PRESSURE: 4875000 -266.635 53.1235 -123.411 53.1227 -48.8578 169.364 -123.411 169.363 30.4021 GPRESSURE: 4875000 -275.152 -67.503 -119.182 107.082 84.2397 98.2483 -142.28 188.28 -3.54967 PRESSAVG: 4875000 30.5247 7.35228 12.3865 7.35234 -29.6029 -8.51408 12.3865 -8.51411 17.6307 GPRESSAVG: 4875000 31.1708 6.87244 11.8678 6.74012 -29.6066 -9.91524 10.0921 -8.11955 16.9172 TIMING: 4875000 CPU: 15220.8, 0.00317644/step Wall: 15220.8, 0.00317644/step, 0.110293 hours remaining, 235.527344 MB of memory in use. ENERGY: 4875000 3947.1819 20549.2949 14338.0214 262.2906 -203380.2929 2903.3140 0.0000 0.0000 52032.4873 -109347.7027 299.0314 -161380.1900 -108982.9528 299.3973 -95.0302 -64.8207 761951.2690 6.1841 6.1605 PRESSURE: 4875200 -193.526 4.4837 -26.0613 4.4841 92.5583 -34.41 -26.0614 -34.4109 -58.8825 GPRESSURE: 4875200 -44.9376 9.50632 6.56661 -11.869 35.9451 -80.3146 13.345 133.524 -52.2279 PRESSAVG: 4875200 31.1165 -4.17849 4.24548 -4.17853 5.48552 -12.9336 4.2455 -12.9337 16.1682 GPRESSAVG: 4875200 31.9022 -5.36907 4.08767 -4.6442 5.34681 -13.1428 6.63374 -10.7137 15.6637 TIMING: 4875200 CPU: 15221.4, 0.00317263/step Wall: 15221.4, 0.00317263/step, 0.109984 hours remaining, 235.527344 MB of memory in use. ENERGY: 4875200 4008.9792 20512.7145 14417.1039 244.3168 -203462.4222 2780.9404 0.0000 0.0000 52194.3366 -109304.0308 299.9616 -161498.3674 -108943.4778 299.3950 -53.2836 -20.4068 760431.5079 17.5901 17.6376 PRESSURE: 4875400 -17.4331 -220.396 -44.1241 -220.396 132.51 133.021 -44.1237 133.021 -409.781 GPRESSURE: 4875400 38.281 -180.82 -101.239 -209.958 102.623 54.0351 -150.492 95.4212 -367.346 PRESSAVG: 4875400 -0.996176 20.2943 -38.1335 20.2943 25.2919 -20.8219 -38.1335 -20.8219 12.5007 GPRESSAVG: 4875400 -2.248 20.993 -38.8527 20.4939 26.3556 -19.5844 -38.6211 -22.2769 13.0987 TIMING: 4875400 CPU: 15222, 0.00316127/step Wall: 15222, 0.00316127/step, 0.109415 hours remaining, 235.527344 MB of memory in use. ENERGY: 4875400 3998.5512 20528.0663 14336.1768 253.6495 -203518.1509 2739.8447 0.0000 0.0000 52097.4437 -109564.4187 299.4047 -161661.8624 -109204.1391 299.6368 -98.2346 -75.4809 761094.8429 12.2655 12.4021 PRESSURE: 4875600 141.74 -117.056 28.0707 -117.056 -197.418 -10.2415 28.0708 -10.2403 -195.444 GPRESSURE: 4875600 168.985 -109.183 -40.891 -82.3214 -162.672 -54.2227 -13.4608 -21.5735 -171.801 PRESSAVG: 4875600 -13.7014 16.3807 -45.7322 16.3807 15.3297 -2.51425 -45.7322 -2.51428 -7.75296 GPRESSAVG: 4875600 -12.9858 17.3143 -43.711 15.693 14.453 -2.78645 -45.8052 -4.03578 -8.23287 TIMING: 4875600 CPU: 15222.7, 0.00315683/step Wall: 15222.7, 0.00315683/step, 0.109086 hours remaining, 235.527344 MB of memory in use. ENERGY: 4875600 4056.2216 20533.5396 14347.2923 259.4081 -203557.1280 2679.1414 0.0000 0.0000 52025.0075 -109656.5175 298.9884 -161681.5251 -109289.3265 298.7043 -83.7074 -55.1627 762730.3022 -2.0416 -2.2552 PRESSURE: 4875800 -85.9938 112.742 -259.263 112.743 55.0767 -57.7952 -259.263 -57.7946 41.9142 GPRESSURE: 4875800 -44.4192 129.688 -235.876 74.6841 63.8828 -103.018 -256.068 -53.4166 67.4766 PRESSAVG: 4875800 -29.4277 4.55186 -31.3888 4.55186 10.8349 11.4481 -31.3889 11.4481 0.342626 GPRESSAVG: 4875800 -31.2532 2.78723 -30.0579 5.44416 11.9529 11.3326 -33.7418 14.0425 0.222349 TIMING: 4875800 CPU: 15223.3, 0.00315517/step Wall: 15223.3, 0.00315517/step, 0.108853 hours remaining, 235.527344 MB of memory in use. ENERGY: 4875800 4014.6129 20572.7866 14464.4944 238.4778 -203759.6457 2775.8466 0.0000 0.0000 51916.8235 -109776.6038 298.3667 -161693.4273 -109429.1341 298.1494 3.6657 28.9801 763412.2109 -6.0834 -6.3593 PRESSURE: 4876000 109.989 -12.0606 264.792 -12.0602 -126.188 -124.797 264.793 -124.796 -478.238 GPRESSURE: 4876000 25.4103 26.9222 168.372 -2.51752 -47.5596 -169.152 210.236 -83.0623 -403.838 PRESSAVG: 4876000 -48.126 31.683 -11.4146 31.6831 32.772 -75.9927 -11.4146 -75.9927 -7.89004 GPRESSAVG: 4876000 -47.9957 31.3803 -13.6716 30.9056 31.2776 -77.4017 -9.25048 -79.4068 -6.7085 TIMING: 4876000 CPU: 15223.9, 0.00313631/step Wall: 15223.9, 0.00313631/step, 0.108028 hours remaining, 235.527344 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: 4876000 4048.6084 20553.5301 14469.6915 247.8360 -203714.0130 2680.2329 0.0000 0.0000 51903.1562 -109810.9580 298.2882 -161714.1142 -109457.7621 298.2635 -164.8124 -141.9959 761623.2616 -7.7480 -7.8089 PRESSURE: 4876200 310.159 188.459 91.5131 188.458 -396.094 -81.6428 91.5128 -81.6434 217.143 GPRESSURE: 4876200 298.464 145.298 98.836 292.05 -333.348 -48.8732 -7.88751 32.7752 240.329 PRESSAVG: 4876200 13.5519 26.9763 -34.306 26.9764 -15.786 -24.7223 -34.306 -24.7225 14.0039 GPRESSAVG: 4876200 14.6308 26.8021 -33.8518 26.5184 -15.8034 -21.8194 -35.2369 -23.1095 12.1891 TIMING: 4876200 CPU: 15224.6, 0.00313279/step Wall: 15224.6, 0.00313279/step, 0.107733 hours remaining, 235.527344 MB of memory in use. ENERGY: 4876200 3915.2218 20572.9994 14427.7508 242.0801 -203565.3415 2555.0269 0.0000 0.0000 51993.9882 -109858.2743 298.8102 -161852.2625 -109496.2700 298.5318 43.7362 68.4817 760247.5438 3.9233 3.6722 LDB: ============= START OF LOAD BALANCING ============== 15237 LDB: ============== END OF LOAD BALANCING =============== 15237 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15237 LDB: ============= START OF LOAD BALANCING ============== 15237.3 LDB: Largest compute 7067 load 0.031870 is 16.3% of average load 0.195255 LDB: Average compute 0.004414 is 2.3% of average load 0.195255 LDB: TIME 15237.3 LOAD: AVG 0.195255 MAX 0.216132 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.227 MB LDB: TIME 15237.3 LOAD: AVG 0.195255 MAX 0.216132 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.227 MB LDB: TIME 15237.3 LOAD: AVG 0.195255 MAX 0.216132 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.227 MB LDB: ============== END OF LOAD BALANCING =============== 15237.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15237.4 PRESSURE: 4876400 125.726 129.275 385.333 129.275 -124.022 -110.778 385.332 -110.777 -7.01421 GPRESSURE: 4876400 205.624 162.557 399.364 151.431 -178.964 -144.512 270.272 -119.282 59.6682 PRESSAVG: 4876400 -41.1681 1.21984 11.0393 1.21984 -1.64301 -28.6322 11.0393 -28.6322 1.97134 GPRESSAVG: 4876400 -41.3135 1.91001 11.2529 1.50818 -1.85435 -29.4081 9.88393 -30.7846 2.39571 TIMING: 4876400 CPU: 15225.2, 0.00318033/step Wall: 15225.2, 0.00318033/step, 0.109191 hours remaining, 233.839844 MB of memory in use. ENERGY: 4876400 4028.8902 20464.1460 14431.6213 246.0031 -203167.7984 2440.8416 0.0000 0.0000 51829.6839 -109726.6123 297.8659 -161556.2962 -109368.6366 298.7117 -1.7701 28.7761 760357.7646 -13.6133 -13.5907 PRESSURE: 4876600 -314.556 -188.303 -242.009 -188.303 -252.029 -294.808 -242.01 -294.808 -68.587 GPRESSURE: 4876600 -214.503 -116.22 -244.965 -219.991 -272.376 -252.195 -23.4655 -268.078 -73.9781 PRESSAVG: 4876600 -35.9686 -45.089 34.2326 -45.089 8.49804 0.749723 34.2327 0.749714 12.4002 GPRESSAVG: 4876600 -36.1173 -44.3632 33.5745 -45.8052 8.48307 -1.47281 35.3242 1.12603 12.3164 TIMING: 4876600 CPU: 15225.8, 0.00311747/step Wall: 15225.8, 0.00311748/step, 0.10686 hours remaining, 234.042969 MB of memory in use. ENERGY: 4876600 3966.7123 20404.7539 14548.0206 244.2463 -203282.5370 2362.2722 0.0000 0.0000 51932.8011 -109823.7306 298.4585 -161756.5317 -109455.3465 298.9081 -211.7242 -186.9525 761528.9895 -5.0234 -5.1060 PRESSURE: 4876800 178.698 -110.306 -46.4172 -110.305 -136.053 110.63 -46.4173 110.631 34.5302 GPRESSURE: 4876800 144.864 -54.8568 -99.9108 -69.5934 9.23716 103.426 -133.398 163.764 30.8696 PRESSAVG: 4876800 -27.3797 19.9849 -8.81741 19.9849 -9.96763 -2.26325 -8.8174 -2.26333 -3.15496 GPRESSAVG: 4876800 -27.265 21.1347 -7.93893 19.996 -10.4265 -1.34629 -8.38904 -1.37587 -2.58844 TIMING: 4876800 CPU: 15226.4, 0.00313385/step Wall: 15226.4, 0.00313385/step, 0.107247 hours remaining, 234.042969 MB of memory in use. ENERGY: 4876800 3983.3065 20482.7674 14433.7449 245.9709 -203718.7832 2730.9376 0.0000 0.0000 51971.0408 -109871.0150 298.6783 -161842.0559 -109511.1101 298.3481 25.7252 61.6570 761402.2365 -13.5008 -13.4267 PRESSURE: 4877000 -102.114 -35.9749 105.068 -35.9754 488.714 64.7281 105.069 64.7278 -219.31 GPRESSURE: 4877000 1.60282 65.2449 131.814 -90.9497 515.084 75.0971 199.189 -1.97176 -273.527 PRESSAVG: 4877000 -35.8296 22.9415 -20.8835 22.9415 42.4376 -58.9113 -20.8836 -58.9112 -5.4052 GPRESSAVG: 4877000 -34.9075 22.3439 -21.5264 21.9817 41.9646 -60.2206 -20.1729 -57.8895 -5.59458 TIMING: 4877000 CPU: 15227.1, 0.00312269/step Wall: 15227.1, 0.00312269/step, 0.106692 hours remaining, 234.042969 MB of memory in use. ENERGY: 4877000 3864.5362 20461.9168 14383.3694 236.7550 -203897.1522 2682.2499 0.0000 0.0000 51991.6461 -110276.6789 298.7967 -162268.3250 -109911.8464 297.8167 55.7630 81.0535 760663.4919 0.4009 0.4875 PRESSURE: 4877200 -195.431 -35.4784 -83.5587 -35.478 -208.701 23.6817 -83.5584 23.6815 62.6188 GPRESSURE: 4877200 -112.951 15.9117 -32.3751 10.2928 -173.976 93.598 80.3295 102.421 44.1276 PRESSAVG: 4877200 14.9252 -22.5029 6.45469 -22.5029 22.7314 32.5596 6.45464 32.5596 14.1536 GPRESSAVG: 4877200 13.9868 -22.0782 6.43687 -22.5482 22.7142 34.1637 7.51665 31.6274 15.029 TIMING: 4877200 CPU: 15227.7, 0.00315196/step Wall: 15227.7, 0.00315196/step, 0.107517 hours remaining, 234.042969 MB of memory in use. ENERGY: 4877200 3912.0002 20278.4509 14412.7861 263.2285 -203675.3311 2759.0040 0.0000 0.0000 51695.8807 -110353.9807 297.0969 -162049.8614 -109999.1793 296.7621 -113.8378 -80.9330 761383.5333 17.2701 17.2433 PRESSURE: 4877400 28.8084 12.9869 194.749 12.986 227.543 -19.8446 194.75 -19.8444 -16.9652 GPRESSURE: 4877400 79.1074 -70.631 173.069 59.5596 246.573 -109.491 166.367 -107.047 -5.59698 PRESSAVG: 4877400 4.10838 -29.3563 16.5089 -29.3563 -0.993252 17.0463 16.5089 17.0464 7.80614 GPRESSAVG: 4877400 5.33497 -30.6532 15.8713 -27.4403 -1.41322 15.8052 16.0627 17.0018 6.88329 TIMING: 4877400 CPU: 15228.3, 0.00317499/step Wall: 15228.3, 0.00317499/step, 0.108126 hours remaining, 234.042969 MB of memory in use. ENERGY: 4877400 3896.3128 20342.8902 14469.9407 233.3781 -204405.8863 3129.5328 0.0000 0.0000 51863.1389 -110470.6928 298.0582 -162333.8317 -110112.7327 296.7591 79.7955 106.6945 761023.4731 3.6404 3.6017 PRESSURE: 4877600 -28.4978 -101.691 306.629 -101.691 -83.6829 8.79654 306.628 8.79733 155.632 GPRESSURE: 4877600 -22.7985 -56.9898 253.341 -154.849 -41.4629 90.2818 315.014 -30.2515 177.64 PRESSAVG: 4877600 -33.189 -33.8816 4.29319 -33.8816 -13.3098 16.9772 4.29311 16.9773 2.34864 GPRESSAVG: 4877600 -34.4664 -33.3115 5.2091 -36.2006 -12.137 18.2597 2.36922 16.8359 2.2268 TIMING: 4877600 CPU: 15229, 0.00316656/step Wall: 15229, 0.00316656/step, 0.107663 hours remaining, 234.042969 MB of memory in use. ENERGY: 4877600 3950.7810 20407.6562 14358.0877 248.0576 -204013.6863 2875.7434 0.0000 0.0000 51801.2180 -110372.1424 297.7023 -162173.3603 -110007.5037 297.1166 14.4836 37.7930 762504.6257 -14.7167 -14.7922 PRESSURE: 4877800 -266.341 -86.2493 51.2823 -86.2489 -239.663 -8.76734 51.2828 -8.76707 237.166 GPRESSURE: 4877800 -183.047 -112.178 35.5779 -60.3882 -210.876 -42.6396 132.007 123.272 218.555 PRESSAVG: 4877800 -74.2421 -12.6195 3.69073 -12.6195 70.0272 34.9176 3.6907 34.9177 -17.1432 GPRESSAVG: 4877800 -72.7794 -11.9615 2.7228 -11.6694 69.524 34.8389 5.42175 36.9427 -17.571 TIMING: 4877800 CPU: 15229.6, 0.00315978/step Wall: 15229.6, 0.00315978/step, 0.107257 hours remaining, 234.042969 MB of memory in use. ENERGY: 4877800 3931.6024 20340.1751 14475.6404 235.5391 -203941.4956 2911.1328 0.0000 0.0000 51938.7506 -110108.6553 298.4927 -162047.4059 -109751.3748 297.6291 -89.6127 -58.4558 761490.7896 -7.1194 -6.9421 PRESSURE: 4878000 258.502 -14.7175 -231.536 -14.7174 -78.1902 47.8791 -231.536 47.8789 176.796 GPRESSURE: 4878000 293.5 -118.774 -126.484 22.9225 -21.768 62.1446 -311.102 -13.6191 161.423 PRESSAVG: 4878000 47.2467 -15.2128 17.1601 -15.2128 -41.3231 -1.18698 17.1602 -1.18701 -13.7611 GPRESSAVG: 4878000 45.912 -17.4569 17.5534 -14.9163 -40.6675 -1.59442 16.2966 -3.19902 -12.8096 TIMING: 4878000 CPU: 15230.2, 0.00310186/step Wall: 15230.2, 0.00310186/step, 0.105119 hours remaining, 234.042969 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: 4878000 3892.8151 20507.8053 14380.6704 247.4285 -203892.3105 2866.5956 0.0000 0.0000 51999.2823 -109997.7133 298.8406 -161996.9957 -109636.9436 298.2293 119.0360 144.3850 761721.8708 -2.6125 -2.5217 PRESSURE: 4878200 -42.8648 -83.7919 169.465 -83.7921 -351.485 169.454 169.465 169.454 190.252 GPRESSURE: 4878200 -4.31987 -145.185 203.632 -45.4373 -288.354 204.877 137.994 148.178 166.74 PRESSAVG: 4878200 21.4729 18.4077 -4.09018 18.4077 -63.1208 -25.1053 -4.09018 -25.1053 8.54236 GPRESSAVG: 4878200 21.352 19.0574 -2.85116 17.6176 -62.9158 -25.9176 -4.72217 -25.7465 8.26706 TIMING: 4878200 CPU: 15230.8, 0.0031358/step Wall: 15230.8, 0.0031358/step, 0.106095 hours remaining, 234.042969 MB of memory in use. ENERGY: 4878200 4048.4550 20618.7622 14407.8956 255.7461 -203562.6421 2573.3812 0.0000 0.0000 51824.0818 -109834.3202 297.8337 -161658.4020 -109481.3613 297.6441 -68.0326 -41.9779 762526.4699 -11.0352 -11.0989 PRESSURE: 4878400 -161.035 -23.3521 -90.6096 -23.3526 125.426 75.3896 -90.6095 75.3898 164.611 GPRESSURE: 4878400 -61.3952 21.732 -76.0161 13.3257 185.583 70.4811 -70.5526 167.3 102.161 PRESSAVG: 4878400 -32.6951 -21.8329 9.07389 -21.8329 18.73 44.6989 9.07392 44.6989 11.9883 GPRESSAVG: 4878400 -30.9191 -20.2369 8.11519 -22.2011 16.6871 45.3019 11.0559 45.7393 12.0323 TIMING: 4878400 CPU: 15231.5, 0.00312889/step Wall: 15231.5, 0.00312889/step, 0.105687 hours remaining, 234.042969 MB of memory in use. ENERGY: 4878400 3968.2448 20577.9975 14503.1178 246.4610 -203368.8710 2486.4547 0.0000 0.0000 52098.2192 -109488.3761 299.4092 -161586.5952 -109123.4949 299.0686 43.0007 75.4497 760293.5782 -0.6589 -0.7332 PRESSURE: 4878600 -217.581 -39.1054 -89.9086 -39.1049 -121.086 -240.126 -89.9079 -240.124 214.91 GPRESSURE: 4878600 -151.429 -158.917 -63.6292 -157.092 -113.017 -310.144 -28.8858 -166.511 205.581 PRESSAVG: 4878600 -21.4074 -55.9998 -0.34519 -55.9998 22.9217 -1.88818 -0.345251 -1.88825 10.0947 GPRESSAVG: 4878600 -21.8974 -56.9968 0.541373 -54.9622 23.425 -1.40743 0.694236 -2.50963 10.5864 TIMING: 4878600 CPU: 15232.1, 0.00314784/step Wall: 15232.1, 0.00314784/step, 0.106152 hours remaining, 234.042969 MB of memory in use. ENERGY: 4878600 4037.2256 20508.2077 14405.4657 230.5163 -203051.4137 2593.2105 0.0000 0.0000 51767.2790 -109509.5090 297.5073 -161276.7879 -109149.4352 299.5046 -41.2520 -19.6216 762037.2071 3.8696 4.0380 PRESSURE: 4878800 105.351 -110.215 -134.405 -110.213 -203.575 -117.321 -134.405 -117.321 -161.258 GPRESSURE: 4878800 181.376 -31.7806 -131.578 -3.10819 -162.075 -102.495 -79.331 -187.151 -202.517 PRESSAVG: 4878800 50.1066 13.8537 -5.19609 13.8538 -76.4941 9.78419 -5.19605 9.78421 -11.2762 GPRESSAVG: 4878800 50.0259 14.2726 -5.3856 14.9224 -76.1228 9.45101 -7.42603 10.6055 -11.2815 TIMING: 4878800 CPU: 15232.7, 0.00315033/step Wall: 15232.7, 0.00315033/step, 0.106061 hours remaining, 234.042969 MB of memory in use. ENERGY: 4878800 4007.9792 20393.3334 14416.4015 260.4249 -203849.5301 3027.9748 0.0000 0.0000 52373.1308 -109370.2855 300.9891 -161743.4164 -108996.1975 298.9014 -86.4941 -61.0721 761409.1494 -12.5546 -12.4595 PRESSURE: 4879000 -191.298 -60.5509 -33.8068 -60.5507 -17.0993 106.286 -33.8067 106.287 -55.8048 GPRESSURE: 4879000 -208.757 -133.55 -74.8093 15.2108 6.80496 81.6425 -20.0395 129.83 9.06109 PRESSAVG: 4879000 3.23185 -16.2299 -28.1285 -16.23 -10.9009 -0.574498 -28.1284 -0.574428 -4.75873 GPRESSAVG: 4879000 3.70379 -16.9923 -28.0336 -17.5838 -11.7467 0.158703 -26.7165 -0.77647 -3.70394 TIMING: 4879000 CPU: 15233.4, 0.00313025/step Wall: 15233.4, 0.00313025/step, 0.105211 hours remaining, 234.042969 MB of memory in use. ENERGY: 4879000 3983.3735 20442.1364 14475.9754 250.4611 -203254.4655 2604.5645 0.0000 0.0000 52151.6138 -109346.3409 299.7160 -161497.9547 -108975.7331 299.3935 -88.0675 -64.2971 762897.2470 -4.1426 -3.9156 PRESSURE: 4879200 258.44 181.009 25.9544 181.01 178.186 -41.5129 25.9552 -41.5136 373.284 GPRESSURE: 4879200 334.022 217.826 -14.5633 111.864 202.121 -165.78 67.1191 -88.1807 354.972 PRESSAVG: 4879200 -6.67249 -7.29766 38.3438 -7.29771 29.7413 10.091 38.3438 10.0911 1.09299 GPRESSAVG: 4879200 -6.03927 -5.8352 38.7807 -6.93183 30.1079 10.1616 35.539 10.1464 -0.0877115 TIMING: 4879200 CPU: 15234, 0.00314985/step Wall: 15234, 0.00314985/step, 0.105695 hours remaining, 234.042969 MB of memory in use. ENERGY: 4879200 3956.4310 20520.0551 14455.7070 244.9519 -203474.9324 2873.9769 0.0000 0.0000 51951.5746 -109472.2358 298.5664 -161423.8104 -109109.9538 299.2287 269.9699 297.0381 761899.9340 8.0539 7.9937 PRESSURE: 4879400 -123.898 -126.071 310.119 -126.07 74.421 15.7949 310.119 15.7944 -181.191 GPRESSURE: 4879400 -170.631 -230.698 286.438 -140.878 144.878 129.6 233.791 -96.734 -94.2615 PRESSAVG: 4879400 17.4596 -5.4263 0.720398 -5.42629 10.7308 25.4793 0.720452 25.4793 5.69194 GPRESSAVG: 4879400 17.2137 -7.64709 0.404543 -4.52874 12.6376 24.1097 1.0076 25.7934 5.44158 TIMING: 4879400 CPU: 15234.6, 0.00316194/step Wall: 15234.6, 0.00316194/step, 0.105925 hours remaining, 234.042969 MB of memory in use. ENERGY: 4879400 3975.4900 20452.1228 14512.6481 237.1686 -203000.6443 2537.7720 0.0000 0.0000 51925.8008 -109359.6420 298.4183 -161285.4427 -109000.9398 299.5301 -76.8893 -40.0049 761350.6717 11.2941 11.7643 PRESSURE: 4879600 -118.287 4.68445 -72.8876 4.68449 10.9941 -120.323 -72.8881 -120.324 -259.611 GPRESSURE: 4879600 13.1243 66.3732 -178.823 -43.3149 -107.483 -90.5484 42.3243 -308.546 -203.724 PRESSAVG: 4879600 -14.9 1.03122 20.1948 1.03126 -41.6633 2.56774 20.1948 2.56765 -5.02266 GPRESSAVG: 4879600 -14.8288 2.65727 18.6832 2.33566 -42.4032 2.5987 22.1825 0.649694 -4.42074 TIMING: 4879600 CPU: 15235.2, 0.00311637/step Wall: 15235.2, 0.00311637/step, 0.104225 hours remaining, 234.042969 MB of memory in use. ENERGY: 4879600 3966.8555 20496.1459 14391.1169 254.0508 -203316.1316 2684.0242 0.0000 0.0000 52316.4507 -109207.4876 300.6634 -161523.9383 -108832.4035 299.2744 -122.3013 -99.3609 760504.8445 -20.5286 -20.5509 PRESSURE: 4879800 -212.457 72.6176 205.905 72.6172 -305.177 -215.022 205.905 -215.022 -130.086 GPRESSURE: 4879800 -164.491 42.6079 152.392 -9.07914 -218.983 -232.949 222.69 -50.4905 -172.768 PRESSAVG: 4879800 -14.8644 -2.89254 -22.3592 -2.8926 15.648 11.6653 -22.3592 11.6653 -1.48144 GPRESSAVG: 4879800 -15.6119 -1.32851 -19.8634 -5.9918 15.1558 12.3937 -24.2194 14.025 -0.0905701 TIMING: 4879800 CPU: 15235.9, 0.00309739/step Wall: 15235.9, 0.00309739/step, 0.103418 hours remaining, 234.042969 MB of memory in use. ENERGY: 4879800 3924.7063 20791.9993 14469.6208 254.1279 -202901.6768 2273.4457 0.0000 0.0000 51855.5847 -109332.1920 298.0148 -161187.7767 -108970.9615 299.3459 -215.9068 -185.4142 761813.9964 -0.2326 -0.1822 PRESSURE: 4880000 124.866 -31.5829 160.486 -31.583 168.602 145.513 160.487 145.513 192.861 GPRESSURE: 4880000 214.195 -55.9659 126.993 -59.6699 151.84 212.655 81.4232 156.651 219.886 PRESSAVG: 4880000 4.57984 1.01802 27.4957 1.01796 17.7717 -8.61567 27.4957 -8.61572 9.26065 GPRESSAVG: 4880000 3.86304 0.721199 27.9935 1.44245 19.1439 -8.15049 28.1654 -9.59992 8.59311 TIMING: 4880000 CPU: 15236.5, 0.00309408/step Wall: 15236.5, 0.00309408/step, 0.103136 hours remaining, 234.042969 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: 4880000 3848.3246 20578.6180 14448.3507 252.4690 -203108.5105 2831.8584 0.0000 0.0000 51847.1231 -109301.7668 297.9661 -161148.8899 -108955.8407 299.2924 162.1097 195.3071 763515.2520 10.5374 10.5333 PRESSURE: 4880200 -6.8646 81.1419 25.6309 81.1414 381.659 152.442 25.6302 152.441 -260.454 GPRESSURE: 4880200 110.709 -11.1434 -73.5894 91.3311 348.597 71.1672 153.065 44.8309 -260.26 PRESSAVG: 4880200 -15.2167 1.10362 49.2671 1.10359 18.2076 13.5236 49.2671 13.5236 -5.65637 GPRESSAVG: 4880200 -15.0104 -0.671309 47.8013 0.541489 18.0118 12.5227 49.1832 13.7756 -5.30783 TIMING: 4880200 CPU: 15237.1, 0.00311652/step Wall: 15237.1, 0.00311652/step, 0.103711 hours remaining, 234.042969 MB of memory in use. ENERGY: 4880200 3961.1093 20614.1270 14467.6139 235.7550 -203568.2969 2865.1809 0.0000 0.0000 52006.3915 -109418.1192 298.8814 -161424.5107 -109053.1655 299.2275 38.1134 66.3489 762100.9325 -0.8885 -0.7688 LDB: ============= START OF LOAD BALANCING ============== 15249.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15249.6 LDB: =============== DONE WITH MIGRATION ================ 15249.6 LDB: ============= START OF LOAD BALANCING ============== 15249.9 LDB: Largest compute 7045 load 0.032062 is 16.4% of average load 0.195154 LDB: Average compute 0.004421 is 2.3% of average load 0.195154 LDB: TIME 15249.9 LOAD: AVG 0.195154 MAX 0.215332 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.227 MB LDB: TIME 15249.9 LOAD: AVG 0.195154 MAX 0.215332 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.43 MB LDB: TIME 15249.9 LOAD: AVG 0.195154 MAX 0.215332 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.43 MB LDB: ============== END OF LOAD BALANCING =============== 15249.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15249.9 PRESSURE: 4880400 -214.749 237.735 -129.229 237.735 -7.40551 46.5567 -129.229 46.5561 -14.695 GPRESSURE: 4880400 -170.214 288.644 -75.1697 220.716 10.1497 27.8459 -201.628 8.05948 3.21606 PRESSAVG: 4880400 0.664461 -18.7076 3.29531 -18.7076 -16.6439 -19.2068 3.29527 -19.2069 -13.2609 GPRESSAVG: 4880400 2.04074 -20.7668 3.62875 -16.8965 -18.1072 -17.6741 1.21587 -20.6059 -13.2979 TIMING: 4880400 CPU: 15237.7, 0.00320125/step Wall: 15237.7, 0.00320125/step, 0.106353 hours remaining, 234.226562 MB of memory in use. ENERGY: 4880400 3990.2265 20491.8740 14460.2808 215.4689 -202945.7939 2389.8859 0.0000 0.0000 52135.6836 -109262.3741 299.6245 -161398.0578 -108904.0661 299.2891 -78.9498 -52.2829 763320.1135 -9.7468 -9.7881 PRESSURE: 4880600 188.658 -126.054 -60.2678 -126.054 -187.757 -229.645 -60.2682 -229.645 201.016 GPRESSURE: 4880600 155.395 -78.6859 -89.73 -204.127 -118.53 -292.17 -74.6982 -197.247 260.62 PRESSAVG: 4880600 1.91239 -62.1659 49.244 -62.166 -15.2175 -27.6336 49.244 -27.6337 10.4352 GPRESSAVG: 4880600 0.694632 -59.6886 49.2505 -65.1817 -13.2232 -28.9076 51.722 -27.4666 9.93853 TIMING: 4880600 CPU: 15238.4, 0.00315465/step Wall: 15238.4, 0.00315465/step, 0.104629 hours remaining, 234.226562 MB of memory in use. ENERGY: 4880600 4000.8742 20682.8596 14475.8899 252.1972 -203021.2908 2568.7137 0.0000 0.0000 52027.3103 -109013.4460 299.0017 -161040.7562 -108647.8777 299.3394 67.3058 99.1613 761982.7537 -0.9566 -0.8634 PRESSURE: 4880800 -96.2408 -22.6911 96.4369 -22.6916 -284.384 -252.602 96.4365 -252.602 127.137 GPRESSURE: 4880800 -45.3668 -92.7011 83.6578 122.704 -187.537 -278.454 94.5375 -252.301 50.7149 PRESSAVG: 4880800 32.7113 -19.4702 7.91998 -19.4702 -18.8416 -56.3825 7.92005 -56.3824 4.60844 GPRESSAVG: 4880800 34.1013 -20.1117 6.55781 -17.1483 -19.8331 -56.8296 9.14995 -54.2984 4.55489 TIMING: 4880800 CPU: 15239, 0.00319632/step Wall: 15239, 0.00319632/step, 0.105834 hours remaining, 234.226562 MB of memory in use. ENERGY: 4880800 3954.4942 20479.4651 14385.3113 270.1435 -203277.0825 2729.0698 0.0000 0.0000 52213.7068 -109244.8917 300.0729 -161458.5986 -108876.6426 299.7267 -84.4958 -60.7297 762323.7669 6.1594 6.2744 PRESSURE: 4881000 -225.581 -111.862 59.5886 -111.862 -208.011 -58.1451 59.5878 -58.1438 -184.059 GPRESSURE: 4881000 -166.569 -116.852 47.7384 -138.416 -226.821 -115.079 106.277 -22.1338 -144.844 PRESSAVG: 4881000 -6.71472 -13.0532 -4.4629 -13.0532 -32.7545 -30.1181 -4.46287 -30.1182 -7.76388 GPRESSAVG: 4881000 -6.33002 -12.498 -3.77534 -14.6089 -33.2851 -29.7727 -6.54561 -32.5741 -8.10359 TIMING: 4881000 CPU: 15239.6, 0.00314755/step Wall: 15239.6, 0.00314755/step, 0.104044 hours remaining, 234.429688 MB of memory in use. ENERGY: 4881000 3955.6236 20444.5374 14560.5684 256.7245 -202713.3089 2385.0590 0.0000 0.0000 51918.2432 -109192.5528 298.3749 -161110.7960 -108834.1693 299.1775 -205.8840 -179.4116 761697.9984 -15.7444 -15.9063 PRESSURE: 4881200 464.254 -6.53174 -65.7659 -6.53256 -127.18 -157.066 -65.7652 -157.066 451.335 GPRESSURE: 4881200 487.915 36.0766 -99.683 -153.448 -103.06 -145.116 -48.643 -29.6677 474.812 PRESSAVG: 4881200 21.8437 -7.93904 22.1363 -7.93897 -9.64441 -19.4594 22.1363 -19.4594 -6.22909 GPRESSAVG: 4881200 20.9282 -9.07037 22.3483 -6.76346 -9.58008 -19.3506 21.8615 -15.8085 -5.17022 TIMING: 4881200 CPU: 15240.3, 0.00312315/step Wall: 15240.3, 0.00312315/step, 0.103064 hours remaining, 234.417969 MB of memory in use. ENERGY: 4881200 3977.8405 20505.0368 14474.7224 262.6986 -203388.1286 2800.0264 0.0000 0.0000 52169.6541 -109198.1497 299.8197 -161367.8038 -108842.7860 299.4100 262.8028 286.5559 760423.9658 1.9901 2.0593 PRESSURE: 4881400 -205.204 54.2816 200.088 54.2805 -432.835 140.096 200.089 140.097 43.1976 GPRESSURE: 4881400 -208.633 6.52673 299.109 125.377 -285.161 29.6155 145.114 39.3736 -2.82207 PRESSAVG: 4881400 -31.6449 3.38497 15.6608 3.38493 29.9778 80.9179 15.6608 80.9179 -16.0234 GPRESSAVG: 4881400 -30.6594 5.52705 14.6928 2.05004 30.4254 80.4471 16.8253 78.9964 -17.622 TIMING: 4881400 CPU: 15240.9, 0.00315271/step Wall: 15240.9, 0.00315271/step, 0.103864 hours remaining, 234.417969 MB of memory in use. ENERGY: 4881400 3963.8959 20604.3812 14372.1129 241.8742 -202847.3905 2330.9108 0.0000 0.0000 52076.5586 -109257.6568 299.2847 -161334.2154 -108894.0911 299.2927 -198.2802 -165.5390 762371.2863 -5.8968 -5.9520 PRESSURE: 4881600 -15.9916 5.79522 273.077 5.79482 -82.729 197.652 273.077 197.651 196.594 GPRESSURE: 4881600 64.2312 24.5661 331.545 104.612 -81.3939 189.058 194.312 218.531 205.379 PRESSAVG: 4881600 6.83227 0.839119 -61.6987 0.839061 20.5756 15.045 -61.6987 15.045 10.5828 GPRESSAVG: 4881600 4.89731 -0.0499121 -61.3346 0.684591 22.1485 16.2988 -61.6538 13.9173 11.308 TIMING: 4881600 CPU: 15241.5, 0.00317646/step Wall: 15241.5, 0.00317646/step, 0.10447 hours remaining, 234.417969 MB of memory in use. ENERGY: 4881600 3948.5060 20438.3314 14530.6995 259.1178 -203045.2269 2661.1763 0.0000 0.0000 51860.6597 -109346.7361 298.0439 -161207.3958 -108992.2805 299.0203 32.6245 62.7389 762588.4354 12.6635 12.7846 PRESSURE: 4881800 -195.234 -100.322 -356.804 -100.322 120.701 30.8725 -356.803 30.8729 192.147 GPRESSURE: 4881800 -109.617 -162.908 -398.4 -21.8684 59.7233 99.7263 -200.097 19.4146 234.973 PRESSAVG: 4881800 8.56649 9.07312 -58.1519 9.07314 -3.65807 20.2107 -58.1519 20.2107 2.60417 GPRESSAVG: 4881800 10.336 8.41365 -58.6392 10.4203 -4.3615 20.3828 -59.5155 19.8148 1.50935 TIMING: 4881800 CPU: 15242.2, 0.00315688/step Wall: 15242.2, 0.00315689/step, 0.103651 hours remaining, 234.417969 MB of memory in use. ENERGY: 4881800 4000.9741 20501.9826 14406.2631 248.9853 -202872.0876 2527.7310 0.0000 0.0000 51936.9742 -109249.1773 298.4825 -161186.1514 -108884.8906 299.2463 39.2047 61.6930 760676.9886 2.5042 2.4946 PRESSURE: 4882000 56.4474 -41.7255 -217.279 -41.7256 -244.038 -103.08 -217.279 -103.08 204.588 GPRESSURE: 4882000 51.2892 -72.3984 -244.784 -73.3952 -109.866 -29.8943 -209.835 -54.6928 156.914 PRESSAVG: 4882000 -22.5281 -18.2377 -76.0742 -18.2378 11.7606 -18.9508 -76.0743 -18.951 -0.764929 GPRESSAVG: 4882000 -23.8401 -17.5359 -77.5937 -18.9724 13.57 -19.0913 -73.6289 -19.4902 -1.39675 TIMING: 4882000 CPU: 15242.8, 0.00316815/step Wall: 15242.8, 0.00316815/step, 0.103845 hours remaining, 234.429688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4882000 4004.8122 20358.8072 14446.0190 242.8102 -202569.5398 2342.4693 0.0000 0.0000 52053.4988 -109121.1231 299.1522 -161174.6219 -108759.4498 299.4472 5.6658 32.7791 761132.9505 -3.8441 -3.8889 PRESSURE: 4882200 -411.977 66.6212 -17.824 66.6213 -158.383 -138.94 -17.8246 -138.94 -411.881 GPRESSURE: 4882200 -323.358 18.2738 -20.7141 55.9959 -171.137 -37.9972 53.7483 -135.562 -402.733 PRESSAVG: 4882200 -50.5163 76.2627 -17.2203 76.2628 34.4573 -14.5388 -17.2202 -14.5387 5.79806 GPRESSAVG: 4882200 -49.5643 75.5412 -15.9481 75.3173 32.9712 -13.1582 -19.9112 -12.8372 6.63915 TIMING: 4882200 CPU: 15243.4, 0.00319586/step Wall: 15243.4, 0.00319586/step, 0.104576 hours remaining, 234.429688 MB of memory in use. ENERGY: 4882200 4017.1706 20641.8319 14399.7084 239.2859 -202835.4401 2529.7746 0.0000 0.0000 51932.2752 -109075.3935 298.4555 -161007.6687 -108718.6712 299.5088 -327.4135 -299.0760 764658.1180 -3.4203 -3.3180 PRESSURE: 4882400 89.3758 -2.35132 -38.5467 -2.35083 56.5639 -117.423 -38.5473 -117.422 -41.311 GPRESSURE: 4882400 89.1438 35.2695 47.2843 67.2273 139.735 -147.194 -53.16 -88.1204 -52.5112 PRESSAVG: 4882400 -2.96552 8.01265 -18.321 8.01266 22.208 -44.6547 -18.321 -44.6547 -20.2302 GPRESSAVG: 4882400 -3.14256 6.51666 -17.7214 8.53905 21.3884 -47.7764 -16.9836 -43.9955 -19.3893 TIMING: 4882400 CPU: 15244.1, 0.0031721/step Wall: 15244.1, 0.0031721/step, 0.103622 hours remaining, 234.429688 MB of memory in use. ENERGY: 4882400 3961.6260 20361.3761 14422.5355 259.0849 -203090.6771 2694.7371 0.0000 0.0000 52214.5210 -109176.7965 300.0776 -161391.3175 -108822.8941 299.9264 34.8762 58.7891 761706.1434 -0.3293 -0.3811 PRESSURE: 4882600 216.874 182.129 -80.4032 182.129 114.029 -28.8594 -80.4032 -28.8594 -343.487 GPRESSURE: 4882600 335.344 231.042 -120.897 221.078 90.6605 88.3501 -142.773 -175.712 -343.374 PRESSAVG: 4882600 8.72735 17.4728 9.36064 17.4728 -18.3334 2.33313 9.36067 2.33309 -21.7746 GPRESSAVG: 4882600 8.68737 18.2896 9.82852 18.5538 -19.0566 3.40761 8.96115 0.533661 -21.2924 TIMING: 4882600 CPU: 15244.7, 0.00319442/step Wall: 15244.7, 0.00319442/step, 0.104174 hours remaining, 234.429688 MB of memory in use. ENERGY: 4882600 4054.7235 20619.9744 14493.3862 255.8614 -203388.7340 2770.9406 0.0000 0.0000 51960.9181 -109232.9297 298.6201 -161193.8478 -108877.9869 299.1071 -4.1945 27.5436 764071.6948 -10.4602 -10.5539 PRESSURE: 4882800 138.719 -58.4841 -347.22 -58.4842 -334.802 281.271 -347.22 281.271 -6.90294 GPRESSURE: 4882800 142.222 -41.6743 -382.957 -47.358 -235.089 114.898 -291.351 276.044 -34.4591 PRESSAVG: 4882800 11.5493 6.27642 -1.19474 6.27641 -29.3907 -44.3476 -1.19472 -44.3476 -17.4978 GPRESSAVG: 4882800 12.5234 6.28064 -1.01994 8.64308 -29.3335 -43.7025 -2.18092 -41.8406 -18.6001 TIMING: 4882800 CPU: 15245.3, 0.00314707/step Wall: 15245.3, 0.00314707/step, 0.102454 hours remaining, 234.429688 MB of memory in use. ENERGY: 4882800 4010.9341 20588.4918 14490.4166 240.7022 -203388.5248 2600.2371 0.0000 0.0000 52172.0497 -109285.6933 299.8335 -161457.7430 -108918.3462 299.2490 -67.6621 -42.4420 762598.3234 -11.7797 -11.8034 PRESSURE: 4883000 -41.5937 -58.6686 -29.5688 -58.6687 66.2253 197.51 -29.5685 197.51 176.308 GPRESSURE: 4883000 57.3722 35.6527 -0.075108 -13.0955 -6.48298 231.086 77.7705 196.385 220.979 PRESSAVG: 4883000 22.0784 -21.626 -45.8588 -21.6261 -42.6339 18.9314 -45.8588 18.9314 -14.3104 GPRESSAVG: 4883000 20.6368 -23.9478 -47.239 -24.7496 -41.5088 18.7124 -45.0644 16.7086 -13.7479 TIMING: 4883000 CPU: 15246, 0.00315321/step Wall: 15246, 0.00315321/step, 0.102479 hours remaining, 234.429688 MB of memory in use. ENERGY: 4883000 3964.1159 20583.3236 14421.8668 254.1597 -202824.8005 2323.9253 0.0000 0.0000 51866.1898 -109411.2195 298.0757 -161277.4093 -109057.7876 298.8416 66.9798 90.6226 762069.9077 -11.6220 -11.5399 PRESSURE: 4883200 148.446 -167.152 -264.436 -167.152 -82.3334 -233.956 -264.436 -233.957 9.18989 GPRESSURE: 4883200 177.214 -162.435 -180.802 46.3721 36.2541 -195.486 -131.8 -239.805 -40.6356 PRESSAVG: 4883200 65.7249 -47.0539 33.1149 -47.0539 -51.4891 -37.2054 33.1149 -37.2054 -1.07224 GPRESSAVG: 4883200 66.4859 -45.1279 33.9413 -47.9537 -51.9477 -38.3725 31.0764 -36.0372 -1.19369 TIMING: 4883200 CPU: 15246.6, 0.00315443/step Wall: 15246.6, 0.00315443/step, 0.102344 hours remaining, 234.429688 MB of memory in use. ENERGY: 4883200 3971.3635 20566.9973 14451.8412 252.8750 -203105.3395 2677.0295 0.0000 0.0000 51870.2525 -109314.9807 298.0991 -161185.2331 -108953.5968 298.8164 25.1009 57.6107 762669.4846 4.3878 4.4482 PRESSURE: 4883400 305.862 1.71405 333.636 1.71391 310.259 -353.326 333.635 -353.328 371.46 GPRESSURE: 4883400 331.605 -61.2836 229.83 68.7828 339.56 -388.383 371.244 -434.119 407.741 PRESSAVG: 4883400 48.0635 -45.389 -36.0902 -45.389 -11.2145 -48.1476 -36.0903 -48.1476 15.6798 GPRESSAVG: 4883400 48.765 -46.6748 -37.5152 -40.4322 -10.7265 -47.8556 -32.431 -47.6491 14.9635 TIMING: 4883400 CPU: 15247.2, 0.00314435/step Wall: 15247.2, 0.00314435/step, 0.101842 hours remaining, 234.429688 MB of memory in use. ENERGY: 4883400 3931.8941 20545.5336 14365.9420 246.5691 -203423.7244 2881.6630 0.0000 0.0000 52214.0923 -109238.0303 300.0751 -161452.1226 -108873.9146 299.6274 329.1938 359.6355 762203.2308 17.5096 17.6674 PRESSURE: 4883600 -204.548 30.8525 26.2423 30.852 240.669 12.8983 26.2417 12.8983 -25.397 GPRESSURE: 4883600 -116.975 130.848 154.664 114.649 196.158 73.8479 108.3 -30.4471 26.9372 PRESSAVG: 4883600 -22.6085 -26.9504 35.745 -26.9505 60.4379 17.5963 35.7449 17.5963 -11.0643 GPRESSAVG: 4883600 -23.8826 -25.3597 36.0523 -30.19 58.9836 17.519 32.3766 15.6416 -8.87918 TIMING: 4883600 CPU: 15247.9, 0.00316462/step Wall: 15247.9, 0.00316462/step, 0.102323 hours remaining, 234.429688 MB of memory in use. ENERGY: 4883600 3922.4052 20729.1205 14423.5424 274.2061 -203434.0944 2681.4394 0.0000 0.0000 52206.1028 -109197.2780 300.0292 -161403.3808 -108839.5618 299.5492 3.5747 35.3732 760986.0503 8.9217 8.7406 PRESSURE: 4883800 251.311 264.364 -2.23419 264.364 -485.932 71.707 -2.23408 71.7068 -107.55 GPRESSURE: 4883800 230.744 170.796 2.31771 231.136 -408.933 13.9862 86.6953 9.92382 -57.5486 PRESSAVG: 4883800 8.58303 27.9542 -15.5767 27.9542 25.2619 -2.6689 -15.5767 -2.66896 0.276858 GPRESSAVG: 4883800 9.46498 27.0054 -13.9704 28.3207 25.5434 -2.21032 -14.7576 -0.402372 -0.881995 TIMING: 4883800 CPU: 15248.5, 0.00317008/step Wall: 15248.5, 0.00317008/step, 0.102323 hours remaining, 234.429688 MB of memory in use. ENERGY: 4883800 4044.5641 20448.4665 14528.6119 238.7184 -202725.8800 2023.7407 0.0000 0.0000 52288.7101 -109153.0683 300.5039 -161441.7784 -108806.6530 300.4084 -114.0569 -78.5793 762006.1179 11.3739 11.3755 PRESSURE: 4884000 -76.1491 29.5342 -311.801 29.5344 54.9753 129.45 -311.8 129.451 -15.0454 GPRESSURE: 4884000 3.71109 -58.8557 -345.131 125.313 65.3177 110.186 -351.259 43.8315 -25.6892 PRESSAVG: 4884000 -13.0323 -14.2611 -37.9145 -14.261 -14.5643 -24.8423 -37.9146 -24.8423 -8.51715 GPRESSAVG: 4884000 -12.9801 -13.8103 -37.3361 -13.4465 -13.5338 -26.6001 -39.0927 -23.7223 -9.97185 TIMING: 4884000 CPU: 15249.1, 0.00314524/step Wall: 15249.1, 0.00314524/step, 0.101347 hours remaining, 234.429688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4884000 4024.5125 20577.9608 14459.2224 254.6109 -203044.6601 2573.2380 0.0000 0.0000 52086.2987 -109068.8168 299.3407 -161155.1155 -108705.2292 300.0779 -12.0731 14.4465 762219.6510 -12.0379 -12.1619 PRESSURE: 4884200 -82.2778 -57.9697 33.7148 -57.9696 49.9529 -193.194 33.7142 -193.193 -272.287 GPRESSURE: 4884200 -197.061 -99.245 22.866 -147.102 108.131 -254.747 76.4254 -50.9628 -152.511 PRESSAVG: 4884200 -5.9259 23.8311 -5.89693 23.8311 3.87418 11.915 -5.897 11.915 -1.26779 GPRESSAVG: 4884200 -6.63823 25.5258 -6.92806 21.9269 2.61435 12.2805 -6.74148 10.7129 0.999943 TIMING: 4884200 CPU: 15249.8, 0.00315536/step Wall: 15249.8, 0.00315536/step, 0.101497 hours remaining, 234.429688 MB of memory in use. ENERGY: 4884200 3993.4792 20602.6735 14425.7311 244.4907 -203073.9466 2337.0886 0.0000 0.0000 52061.6376 -109408.8459 299.1989 -161470.4835 -109048.9016 299.4721 -101.5372 -80.4802 761469.9702 -1.1065 -1.0080 LDB: ============= START OF LOAD BALANCING ============== 15262.2 LDB: ============== END OF LOAD BALANCING =============== 15262.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15262.2 LDB: ============= START OF LOAD BALANCING ============== 15262.5 LDB: Largest compute 7034 load 0.032695 is 16.7% of average load 0.195284 LDB: Average compute 0.004387 is 2.2% of average load 0.195284 LDB: TIME 15262.6 LOAD: AVG 0.195284 MAX 0.217574 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.484 MB LDB: TIME 15262.6 LOAD: AVG 0.195284 MAX 0.217574 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.484 MB LDB: TIME 15262.6 LOAD: AVG 0.195284 MAX 0.217574 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.484 MB LDB: ============== END OF LOAD BALANCING =============== 15262.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15262.6 PRESSURE: 4884400 -113.692 8.1458 181.514 8.14542 159.177 -45.1997 181.514 -45.1998 -152.258 GPRESSURE: 4884400 4.63419 30.169 138.923 49.4917 166.331 -55.1595 221.485 -38.7392 -185.21 PRESSAVG: 4884400 -16.4555 2.0197 11.7278 2.01974 5.35083 7.72644 11.7277 7.72645 -8.03756 GPRESSAVG: 4884400 -16.0555 0.298139 10.8422 1.8287 5.58942 9.76283 12.9769 7.69975 -8.37434 TIMING: 4884400 CPU: 15250.4, 0.00318999/step Wall: 15250.4, 0.00318999/step, 0.102434 hours remaining, 234.261719 MB of memory in use. ENERGY: 4884400 3937.0480 20497.7798 14477.7526 232.8771 -202995.4543 2507.8287 0.0000 0.0000 51874.4305 -109467.7376 298.1231 -161342.1681 -109115.3798 299.0529 -35.5912 -4.7483 761356.1130 -6.3808 -6.2802 PRESSURE: 4884600 -157.309 37.2706 136.127 37.2705 -267.868 -187.445 136.127 -187.445 -278.394 GPRESSURE: 4884600 -81.0531 56.0663 29.9728 149.963 -279.98 -160.978 115.972 -126.249 -236.989 PRESSAVG: 4884600 -12.0512 -24.1299 23.0782 -24.1298 18.0581 40.0385 23.0782 40.0385 16.8049 GPRESSAVG: 4884600 -12.464 -23.8136 22.7254 -20.5001 18.3179 38.8338 23.1166 40.1989 17.4902 TIMING: 4884600 CPU: 15251, 0.00312818/step Wall: 15251, 0.00312818/step, 0.100276 hours remaining, 234.261719 MB of memory in use. ENERGY: 4884600 3965.9313 20510.8110 14476.2289 264.2136 -202805.9357 2423.9194 0.0000 0.0000 51818.2010 -109346.6304 297.7999 -161164.8315 -108999.1664 299.0416 -234.5238 -199.3406 763904.4297 7.6039 7.7814 PRESSURE: 4884800 -159.046 144.54 -136.333 144.539 204.173 6.46534 -136.333 6.46649 -18.4524 GPRESSURE: 4884800 -79.348 148.238 -80.8174 179.415 189.407 -0.350819 -65.6351 35.5253 -1.34868 PRESSAVG: 4884800 -55.8371 -31.4874 -22.6187 -31.4874 46.804 17.2316 -22.6187 17.2316 -8.81037 GPRESSAVG: 4884800 -55.7571 -29.9157 -21.8606 -31.5996 46.5707 16.4263 -21.7144 17.902 -9.21523 TIMING: 4884800 CPU: 15251.7, 0.00316548/step Wall: 15251.7, 0.00316548/step, 0.101295 hours remaining, 234.261719 MB of memory in use. ENERGY: 4884800 3947.4125 20506.6411 14492.7447 239.2527 -202660.4992 2307.6704 0.0000 0.0000 51794.0383 -109372.7396 297.6610 -161166.7779 -109009.4551 299.1166 8.8916 36.2367 763599.9211 -5.9478 -6.1339 PRESSURE: 4885000 189.465 175.837 2.15816 175.836 119.313 -176.484 2.15747 -176.484 525.065 GPRESSURE: 4885000 299.087 68.3328 41.1934 166.176 90.75 -140.458 -48.5061 -82.3929 532.656 PRESSAVG: 4885000 -6.78463 21.2116 -62.3278 21.2115 40.9622 -17.1931 -62.3278 -17.1932 7.66345 GPRESSAVG: 4885000 -6.04548 18.6079 -62.0462 19.721 42.8344 -17.512 -62.444 -18.864 5.59042 TIMING: 4885000 CPU: 15252.3, 0.00315272/step Wall: 15252.3, 0.00315272/step, 0.100712 hours remaining, 234.261719 MB of memory in use. ENERGY: 4885000 3964.7600 20326.1629 14451.3590 261.6891 -203226.3983 2815.3990 0.0000 0.0000 52087.1106 -109319.9177 299.3453 -161407.0283 -108954.2887 298.6327 277.9479 307.4977 760920.7792 13.9470 14.1265 PRESSURE: 4885200 -459.712 62.0303 93.9742 62.0301 -487.32 -61.6453 93.9749 -61.6465 294.984 GPRESSURE: 4885200 -490.95 25.754 63.2405 21.4581 -402.597 -226.166 30.6087 57.6182 332.092 PRESSAVG: 4885200 2.14312 -9.43995 -41.1535 -9.43998 -17.2871 -6.39223 -41.1536 -6.39227 -16.5077 GPRESSAVG: 4885200 1.64042 -7.13952 -41.2135 -9.7358 -17.9557 -5.2382 -42.1003 -7.01239 -14.8609 TIMING: 4885200 CPU: 15252.9, 0.0031539/step Wall: 15252.9, 0.0031539/step, 0.100574 hours remaining, 234.261719 MB of memory in use. ENERGY: 4885200 4002.2275 20399.9509 14451.1334 262.0050 -202904.9400 2341.8001 0.0000 0.0000 52224.6586 -109223.1645 300.1358 -161447.8231 -108859.6116 299.5016 -217.3490 -187.1518 762891.8268 -10.5506 -10.3921 PRESSURE: 4885400 -280.877 -63.2466 118.525 -63.2461 -292.636 73.4563 118.524 73.4557 221.451 GPRESSURE: 4885400 -275.633 -105.031 136.178 -88.0607 -179.082 153.864 200.078 42.1777 139.489 PRESSAVG: 4885400 9.28937 22.1699 -9.69653 22.1698 -16.9989 -23.4347 -9.69648 -23.4348 -6.45288 GPRESSAVG: 4885400 9.16661 21.1355 -10.6604 22.8322 -16.1875 -23.9169 -10.9746 -23.5016 -7.04344 TIMING: 4885400 CPU: 15253.5, 0.00314685/step Wall: 15253.5, 0.00314685/step, 0.100175 hours remaining, 234.261719 MB of memory in use. ENERGY: 4885400 4011.5328 20677.0278 14534.7282 258.0268 -203325.5615 2575.1109 0.0000 0.0000 52049.6241 -109219.5110 299.1299 -161269.1351 -108866.8544 299.0067 -117.3541 -105.0751 763279.3844 -4.7208 -4.6881 PRESSURE: 4885600 -210.878 354.747 2.79131 354.747 -481.797 109.879 2.79136 109.88 -224.972 GPRESSURE: 4885600 -90.3497 235.077 104.454 208.463 -443.354 253.315 -71.7865 62.3283 -300.169 PRESSAVG: 4885600 36.6525 72.7723 -11.0141 72.7723 -63.8559 -18.1698 -11.0141 -18.1698 9.96009 GPRESSAVG: 4885600 37.5666 73.5527 -9.96796 72.3249 -65.2124 -16.1181 -9.24504 -20.1859 10.2237 TIMING: 4885600 CPU: 15254.2, 0.00314716/step Wall: 15254.2, 0.00314716/step, 0.10001 hours remaining, 234.261719 MB of memory in use. ENERGY: 4885600 4078.2955 20651.5233 14411.9429 239.9297 -203080.5292 2519.9479 0.0000 0.0000 51976.1694 -109202.7204 298.7078 -161178.8898 -108832.6406 299.4576 -305.8822 -277.9575 763564.8519 -5.7478 -5.8074 PRESSURE: 4885800 210.374 -76.1882 65.3396 -76.1879 -197.599 -129.919 65.3392 -129.919 -115.028 GPRESSURE: 4885800 301.292 -67.5417 44.5319 -11.2324 -126.237 -233.529 20.3272 -240.198 -194.747 PRESSAVG: 4885800 -26.832 16.5165 -0.306944 16.5164 -20.7508 44.5467 -0.307023 44.5467 7.01503 GPRESSAVG: 4885800 -28.0303 16.0453 0.490104 19.2503 -20.5263 42.9556 -1.84694 47.3114 7.91887 TIMING: 4885800 CPU: 15254.8, 0.00314559/step Wall: 15254.8, 0.00314559/step, 0.099785 hours remaining, 234.261719 MB of memory in use. ENERGY: 4885800 3940.8907 20534.3653 14449.2709 245.2123 -203469.4251 2827.0432 0.0000 0.0000 52188.1730 -109284.4698 299.9261 -161472.6428 -108911.0843 299.2120 -34.0843 -6.5638 762183.7951 -13.5226 -13.5459 PRESSURE: 4886000 -54.5761 149.853 0.315873 149.853 -224.919 -296.37 0.316081 -296.37 101.264 GPRESSURE: 4886000 -64.2451 59.9563 -37.0013 44.2624 -148.141 -331.096 87.4697 -149.995 114.034 PRESSAVG: 4886000 15.9891 -13.9612 -37.5501 -13.9612 -21.1622 -36.8596 -37.5501 -36.8596 8.27709 GPRESSAVG: 4886000 16.4967 -13.4607 -39.8591 -17.426 -20.4424 -36.6438 -36.808 -37.1971 7.10776 TIMING: 4886000 CPU: 15255.4, 0.00314551/step Wall: 15255.4, 0.00314551/step, 0.0996077 hours remaining, 234.261719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4886000 4017.4142 20526.0916 14482.2467 252.9198 -203203.5275 2532.8088 0.0000 0.0000 52097.9815 -109294.0648 299.4078 -161392.0463 -108934.8150 299.3949 -59.4104 -32.7840 761973.6834 1.0347 1.0540 PRESSURE: 4886200 -95.5696 -209.512 25.3813 -209.511 26.3148 27.5746 25.3814 27.5743 -10.6836 GPRESSURE: 4886200 -58.0967 -227.749 43.0425 -210.967 -23.018 8.47467 -25.3177 152.791 91.1853 PRESSAVG: 4886200 16.3414 -9.30954 33.371 -9.30951 -24.7376 -33.0347 33.371 -33.0346 6.32763 GPRESSAVG: 4886200 16.6937 -10.5505 34.3496 -7.76108 -25.2108 -33.5418 35.0454 -31.8936 6.51976 TIMING: 4886200 CPU: 15256.1, 0.00314349/step Wall: 15256.1, 0.00314349/step, 0.0993693 hours remaining, 234.261719 MB of memory in use. ENERGY: 4886200 4039.1975 20340.5907 14368.4655 251.6489 -203432.3392 2898.0828 0.0000 0.0000 52244.0109 -109290.3429 300.2470 -161534.3538 -108919.4309 299.2109 -26.6461 3.3568 761662.6085 -0.6895 -0.6658 PRESSURE: 4886400 -195.761 146.634 174.868 146.634 -80.4377 -296.355 174.867 -296.355 -22.4969 GPRESSURE: 4886400 -189.766 193.396 148.843 226.832 -21.0746 -281.415 214.147 -199.155 -0.417068 PRESSAVG: 4886400 46.8117 -16.641 19.6844 -16.641 -39.1801 8.72213 19.6844 8.72213 1.97475 GPRESSAVG: 4886400 46.4781 -16.9432 20.7794 -16.6773 -38.4563 9.81615 18.5349 7.24017 1.91517 TIMING: 4886400 CPU: 15256.7, 0.00315144/step Wall: 15256.7, 0.00315144/step, 0.0994454 hours remaining, 234.261719 MB of memory in use. ENERGY: 4886400 3950.0239 20574.0366 14369.6089 269.0103 -203279.0330 2759.5694 0.0000 0.0000 52034.9977 -109321.7862 299.0458 -161356.7839 -108953.5734 299.2812 -99.5651 -70.4192 763155.4093 3.2021 3.3123 PRESSURE: 4886600 124.757 196.108 -14.748 196.108 36.347 -74.527 -14.7475 -74.5276 149.829 GPRESSURE: 4886600 168.767 216.089 -11.3738 132.018 102.149 -193.848 -41.7146 -3.80136 143.546 PRESSAVG: 4886600 32.6443 63.988 13.9895 63.988 -38.5274 8.0425 13.9896 8.04253 3.6604 GPRESSAVG: 4886600 32.0753 66.1894 12.7817 61.5825 -38.2711 5.71464 14.4148 8.66962 3.94237 TIMING: 4886600 CPU: 15257.3, 0.00314586/step Wall: 15257.3, 0.00314586/step, 0.0990946 hours remaining, 234.261719 MB of memory in use. ENERGY: 4886600 3999.7613 20542.7951 14400.5297 281.3909 -203565.4880 2724.4692 0.0000 0.0000 52212.4738 -109404.0682 300.0658 -161616.5420 -109037.3068 299.6440 103.6443 138.1540 762940.9299 -0.7409 -0.7511 PRESSURE: 4886800 -131.692 179.418 150.677 179.418 -358.742 -185.946 150.677 -185.946 -85.0461 GPRESSURE: 4886800 -77.1842 111.946 93.8431 104.711 -337.348 -64.3586 196.531 -257.886 -69.466 PRESSAVG: 4886800 -21.2699 11.3203 -13.0689 11.3203 41.346 -21.3334 -13.0689 -21.3333 18.9927 GPRESSAVG: 4886800 -21.1159 8.14448 -13.4539 12.5708 41.8138 -19.6912 -14.433 -20.6832 19.0081 TIMING: 4886800 CPU: 15257.9, 0.00314422/step Wall: 15257.9, 0.00314422/step, 0.0988681 hours remaining, 234.261719 MB of memory in use. ENERGY: 4886800 4002.8171 20565.4621 14429.9882 248.6896 -203380.4661 2505.8933 0.0000 0.0000 52132.4736 -109495.1422 299.6060 -161627.6158 -109130.5796 299.3435 -191.8267 -161.3327 762420.8760 13.0230 13.2353 PRESSURE: 4887000 -237.551 103.249 -47.3146 103.249 49.4908 -56.6119 -47.3143 -56.6114 38.1063 GPRESSURE: 4887000 -241.072 35.3466 13.2238 0.959785 62.7282 -162.955 9.05903 15.3839 98.0502 PRESSAVG: 4887000 -10.393 -13.6121 -58.8565 -13.6121 -23.136 -42.934 -58.8565 -42.934 -8.8647 GPRESSAVG: 4887000 -10.9089 -13.1033 -57.5773 -14.5939 -23.6045 -45.0676 -58.1093 -43.6145 -7.51174 TIMING: 4887000 CPU: 15258.6, 0.00313379/step Wall: 15258.6, 0.00313379/step, 0.0983663 hours remaining, 234.261719 MB of memory in use. ENERGY: 4887000 4062.4899 20505.7725 14388.9834 234.4821 -203198.4085 2639.9424 0.0000 0.0000 51941.5323 -109425.2059 298.5087 -161366.7382 -109067.6539 298.7297 -49.9845 -26.7644 764650.9268 -14.1313 -14.0084 PRESSURE: 4887200 -147.422 166.063 -357.427 166.064 -204.66 -17.7964 -357.426 -17.7962 -26.4164 GPRESSURE: 4887200 -186.065 346.273 -359.262 132.8 -91.7021 -53.9829 -180.208 -112.713 -12.1639 PRESSAVG: 4887200 -47.3485 39.8298 15.8135 39.8298 71.0007 -17.2191 15.8135 -17.2191 26.5782 GPRESSAVG: 4887200 -46.248 41.5847 15.2716 39.3994 72.2141 -15.8747 16.1883 -16.6488 24.9127 TIMING: 4887200 CPU: 15259.2, 0.00313034/step Wall: 15259.2, 0.00313034/step, 0.098084 hours remaining, 234.261719 MB of memory in use. ENERGY: 4887200 3967.0330 20569.6223 14446.5618 231.0521 -203375.5838 2560.5200 0.0000 0.0000 52291.9793 -109308.8154 300.5227 -161600.7947 -108947.8374 299.4820 -126.1662 -96.6436 762332.2467 16.7434 16.9596 PRESSURE: 4887400 -254.448 119.615 78.0223 119.615 21.3595 -131.753 78.0227 -131.753 -130.779 GPRESSURE: 4887400 -258.384 150.612 130.696 174.118 96.6036 -15.4503 -32.3351 -238.812 -85.9939 PRESSAVG: 4887400 -10.8009 44.0123 2.47581 44.0124 -6.26204 4.66598 2.47577 4.66585 -8.29785 GPRESSAVG: 4887400 -11.105 45.4407 0.969363 43.0462 -8.29017 5.33738 2.68641 2.5518 -6.26948 TIMING: 4887400 CPU: 15259.8, 0.00313609/step Wall: 15259.8, 0.00313609/step, 0.0980899 hours remaining, 234.261719 MB of memory in use. ENERGY: 4887400 3996.4706 20598.2975 14420.4273 245.4127 -203623.0813 2983.5763 0.0000 0.0000 52097.8774 -109281.0196 299.4072 -161378.8970 -108914.0002 299.7632 -121.2892 -82.5915 762383.4362 -8.4536 -8.5549 PRESSURE: 4887600 -135.978 -61.9768 41.1799 -61.9774 -50.0344 -278.956 41.1803 -278.955 195.147 GPRESSURE: 4887600 -47.956 -101.729 76.6963 8.03702 -25.6701 -330.044 70.9773 -233.853 176.956 PRESSAVG: 4887600 6.6366 15.118 11.6869 15.118 3.27329 -9.34185 11.6869 -9.34179 0.98298 GPRESSAVG: 4887600 8.11096 13.2861 11.6839 18.2909 3.81343 -10.3525 14.0801 -8.19993 -0.97536 TIMING: 4887600 CPU: 15260.5, 0.00317621/step Wall: 15260.5, 0.00317621/step, 0.0991683 hours remaining, 234.261719 MB of memory in use. ENERGY: 4887600 3959.4246 20444.7316 14529.4236 272.5471 -203708.1855 3037.7658 0.0000 0.0000 52223.6625 -109240.6304 300.1301 -161464.2929 -108881.8508 299.3988 3.0451 34.4432 762099.7641 3.6310 3.6497 PRESSURE: 4887800 -249.065 146.436 -133.084 146.436 -114.905 -146.681 -133.084 -146.68 -109.232 GPRESSURE: 4887800 -154.879 238.523 -154.04 102.177 -85.1452 -123.779 -82.7166 -127.823 -161.78 PRESSAVG: 4887800 -23.5029 45.0808 -3.17837 45.0808 18.1031 8.69565 -3.17833 8.69568 -10.8763 GPRESSAVG: 4887800 -24.5387 44.6745 -1.90518 42.0608 18.7956 10.6564 -7.83408 8.10224 -10.2303 TIMING: 4887800 CPU: 15261.1, 0.00318071/step Wall: 15261.1, 0.00318071/step, 0.099132 hours remaining, 234.261719 MB of memory in use. ENERGY: 4887800 3981.7325 20482.1375 14402.2414 240.2120 -203353.7191 2887.4314 0.0000 0.0000 52133.7662 -109226.1982 299.6135 -161359.9643 -108874.8419 299.4473 -157.7341 -133.9348 764311.5840 -5.4253 -5.3245 PRESSURE: 4888000 -172.578 -63.2241 -80.8398 -63.2237 -292.435 -28.2932 -80.8398 -28.2929 -155.053 GPRESSURE: 4888000 -152.999 11.0331 -23.1394 75.8578 -163.204 -4.52584 -158.657 72.1626 -221.94 PRESSAVG: 4888000 -9.02116 59.9518 -36.549 59.9517 17.5797 26.8343 -36.549 26.8345 -7.28276 GPRESSAVG: 4888000 -9.44169 60.8973 -36.2441 62.469 17.7085 25.0157 -36.4281 27.0828 -7.10758 TIMING: 4888000 CPU: 15261.7, 0.00315888/step Wall: 15261.7, 0.00315888/step, 0.0982763 hours remaining, 234.261719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4888000 3997.3058 20642.5458 14440.2272 243.2491 -203351.9503 2654.9191 0.0000 0.0000 52018.4985 -109355.2048 298.9510 -161373.7033 -108997.7167 299.1617 -206.6886 -179.3811 762886.3582 0.4253 0.3864 PRESSURE: 4888200 126.05 202.829 171.449 202.829 -111.579 -73.8527 171.449 -73.8537 -115.751 GPRESSURE: 4888200 125.164 254.922 142.003 246.85 -54.9256 -88.8458 201.847 -203.359 -106.856 PRESSAVG: 4888200 46.4858 4.82492 -22.6058 4.82496 -18.5664 39.0019 -22.6058 39.0019 -6.9684 GPRESSAVG: 4888200 47.1554 4.28205 -25.0272 3.94573 -18.5271 39.1388 -18.8299 38.8345 -6.97737 TIMING: 4888200 CPU: 15262.4, 0.00313777/step Wall: 15262.4, 0.00313777/step, 0.0974451 hours remaining, 234.261719 MB of memory in use. ENERGY: 4888200 3956.3742 20584.0435 14417.6135 249.2147 -203485.0538 2713.3644 0.0000 0.0000 51984.7376 -109579.7058 298.7570 -161564.4434 -109218.3727 298.8476 -33.7601 -12.2059 762674.3502 6.9837 7.2170 LDB: ============= START OF LOAD BALANCING ============== 15274.8 LDB: ============== END OF LOAD BALANCING =============== 15274.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15274.8 LDB: ============= START OF LOAD BALANCING ============== 15275.1 LDB: Largest compute 7028 load 0.033451 is 17.1% of average load 0.195348 LDB: Average compute 0.004376 is 2.2% of average load 0.195348 LDB: TIME 15275.2 LOAD: AVG 0.195348 MAX 0.217903 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.52 MB LDB: TIME 15275.2 LOAD: AVG 0.195348 MAX 0.217903 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.523 MB LDB: TIME 15275.2 LOAD: AVG 0.195348 MAX 0.217903 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.523 MB LDB: ============== END OF LOAD BALANCING =============== 15275.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15275.2 PRESSURE: 4888400 250.521 46.9887 100.279 46.9875 200.458 -20.208 100.28 -20.2084 89.3196 GPRESSURE: 4888400 262.885 63.6943 73.4808 70.994 234.18 -24.1758 89.7145 50.5889 130.132 PRESSAVG: 4888400 -14.8275 -2.03191 -30.2291 -2.03185 -4.98257 -30.0256 -30.2291 -30.0256 -8.0006 GPRESSAVG: 4888400 -15.5613 -2.78921 -27.7648 -1.95904 -3.87455 -30.5515 -30.8386 -28.2521 -7.97992 TIMING: 4888400 CPU: 15263, 0.00318069/step Wall: 15263, 0.00318069/step, 0.0986013 hours remaining, 233.808594 MB of memory in use. ENERGY: 4888400 3942.3671 20554.5385 14455.7093 233.9740 -203559.1396 2893.1737 0.0000 0.0000 52139.9136 -109339.4634 299.6488 -161479.3771 -108976.6802 298.6795 180.0995 209.0658 764848.3644 -9.2702 -9.1386 PRESSURE: 4888600 20.3382 -35.7261 -323.335 -35.7273 159.065 -14.2876 -323.335 -14.2869 326.696 GPRESSURE: 4888600 -13.2217 32.5731 -330.663 -29.5112 149.846 11.755 -173.275 -86.7386 445.504 PRESSAVG: 4888600 15.8908 -2.59749 -8.71718 -2.59752 29.3095 -13.2889 -8.71721 -13.2889 -5.55911 GPRESSAVG: 4888600 16.7641 -0.839751 -12.095 -0.196546 26.9361 -12.2323 -8.3395 -14.7532 -3.66337 TIMING: 4888600 CPU: 15263.6, 0.00312122/step Wall: 15263.6, 0.00312122/step, 0.0965844 hours remaining, 233.808594 MB of memory in use. ENERGY: 4888600 3937.6181 20393.3280 14501.5960 263.7803 -203530.7449 2968.0846 0.0000 0.0000 51961.4249 -109504.9131 298.6230 -161466.3380 -109135.5759 298.5791 168.6997 194.0426 762507.0068 13.2137 13.3456 PRESSURE: 4888800 56.6129 84.1732 12.4373 84.1724 153.789 -36.8444 12.4371 -36.8447 253.546 GPRESSURE: 4888800 -2.45833 199.14 -40.5296 -37.5341 254.275 -48.4331 -11.2842 -6.61673 311.182 PRESSAVG: 4888800 47.4328 1.34318 -46.4938 1.34315 -1.31473 24.7667 -46.4938 24.7667 -28.1851 GPRESSAVG: 4888800 48.2575 0.254854 -44.3256 0.289013 -0.884816 23.6596 -47.0528 25.4706 -29.7221 TIMING: 4888800 CPU: 15264.2, 0.003137/step Wall: 15264.2, 0.003137/step, 0.0968984 hours remaining, 233.921875 MB of memory in use. ENERGY: 4888800 4007.2646 20629.0265 14433.9767 241.0655 -203835.8107 3076.3344 0.0000 0.0000 52173.3900 -109274.7530 299.8412 -161448.1430 -108915.6611 298.5849 154.6492 187.6664 762738.6042 5.9776 5.8836 PRESSURE: 4889000 -442.919 -62.4822 157.03 -62.4821 -205.317 204.173 157.029 204.174 -253.479 GPRESSURE: 4889000 -392.323 -192.09 68.9821 -32.3321 -203.332 222.028 125.978 285.71 -213.158 PRESSAVG: 4889000 -12.0482 25.6385 53.1453 25.6386 -30.986 7.30179 53.1452 7.30178 6.29804 GPRESSAVG: 4889000 -13.65 26.1082 52.3773 24.8894 -30.3033 9.3171 52.9524 6.21974 6.8079 TIMING: 4889000 CPU: 15264.9, 0.00313014/step Wall: 15264.9, 0.00313014/step, 0.0965128 hours remaining, 233.921875 MB of memory in use. ENERGY: 4889000 4016.4123 20497.1028 14496.7986 233.4011 -203083.3036 2467.4490 0.0000 0.0000 52078.1485 -109293.9913 299.2938 -161372.1398 -108933.3329 299.2359 -300.5719 -269.6043 765329.3018 -12.2454 -12.3818 PRESSURE: 4889200 -99.8375 85.1604 -225.888 85.1597 46.2046 -5.06847 -225.889 -5.06948 -323.35 GPRESSURE: 4889200 -77.4543 33.4991 -224.606 106.784 133.879 30.4621 -301.687 34.703 -372.211 PRESSAVG: 4889200 -7.17303 -30.963 48.9316 -30.963 -11.1571 -4.92113 48.9316 -4.92121 11.7483 GPRESSAVG: 4889200 -7.32687 -32.0911 51.3497 -30.4256 -10.865 -5.66118 46.8583 -5.09928 11.3073 TIMING: 4889200 CPU: 15265.5, 0.00311111/step Wall: 15265.5, 0.00311111/step, 0.0957532 hours remaining, 233.921875 MB of memory in use. ENERGY: 4889200 4022.2530 20602.0280 14447.2985 241.5642 -203674.0333 2863.6087 0.0000 0.0000 52064.7585 -109432.5224 299.2169 -161497.2809 -109064.7505 299.4617 -125.6610 -105.2621 761965.5547 -2.1939 -2.2948 PRESSURE: 4889400 8.72827 126.738 12.8056 126.738 -84.5011 -217.365 12.8055 -217.364 41.5081 GPRESSURE: 4889400 122.424 19.6757 18.2 176.169 -46.4971 -185.382 -47.3525 -217.459 -37.0606 PRESSAVG: 4889400 29.4927 30.2529 13.0852 30.2529 -59.9778 0.514901 13.0852 0.514919 5.04309 GPRESSAVG: 4889400 29.7751 32.5747 12.3761 30.5302 -59.1986 -0.305397 14.0523 1.69688 3.53548 TIMING: 4889400 CPU: 15266.1, 0.00315493/step Wall: 15266.1, 0.00315493/step, 0.0969264 hours remaining, 233.933594 MB of memory in use. ENERGY: 4889400 4042.1220 20643.0024 14516.4989 237.8278 -203292.7643 2579.4713 0.0000 0.0000 52050.3472 -109223.4947 299.1341 -161273.8418 -108875.3516 299.4652 -11.4216 12.9555 762178.8854 -8.4806 -8.6293 PRESSURE: 4889600 71.6273 139.158 116.641 139.157 -413.523 -227.107 116.64 -227.106 -542.379 GPRESSURE: 4889600 52.1705 31.1607 158.629 150.801 -396.984 -270.045 166.648 -300.053 -449.628 PRESSAVG: 4889600 42.9059 52.4286 -21.1694 52.4286 -67.1941 -8.73838 -21.1694 -8.73837 13.7749 GPRESSAVG: 4889600 42.8525 52.084 -22.4692 52.0471 -69.6183 -8.60193 -20.4541 -9.49109 15.9699 TIMING: 4889600 CPU: 15266.8, 0.00315952/step Wall: 15266.8, 0.00315952/step, 0.0968918 hours remaining, 233.933594 MB of memory in use. ENERGY: 4889600 3976.2473 20567.4383 14471.3113 256.1890 -203429.8053 2859.8894 0.0000 0.0000 51845.5138 -109453.2163 297.9569 -161298.7300 -109095.7928 299.4373 -294.7583 -264.8138 760447.1175 -3.5044 -3.5986 PRESSURE: 4889800 220.281 181.271 -39.0004 181.27 -375.671 38.6118 -39.0009 38.6112 -139.946 GPRESSURE: 4889800 112.243 194.981 -32.8043 146.445 -303.203 35.3993 38.9591 55.9648 -30.8433 PRESSAVG: 4889800 73.6365 17.9618 45.7785 17.9618 -97.5824 -27.3215 45.7785 -27.3217 3.56393 GPRESSAVG: 4889800 72.4426 18.8616 47.5844 16.9517 -96.3714 -27.8315 44.256 -27.709 3.24533 TIMING: 4889800 CPU: 15267.4, 0.00313987/step Wall: 15267.4, 0.00313987/step, 0.096115 hours remaining, 233.921875 MB of memory in use. ENERGY: 4889800 3998.8029 20633.9083 14401.4433 258.3280 -203620.8453 2651.8819 0.0000 0.0000 52157.8085 -109518.6723 299.7516 -161676.4808 -109158.8543 299.4051 -98.4456 -73.9346 761211.4197 -6.7940 -6.8945 PRESSURE: 4890000 156.954 -86.326 -57.4387 -86.326 131.134 -3.30277 -57.4386 -3.30222 -47.4663 GPRESSURE: 4890000 173.172 -83.9117 -48.3691 -18.1478 142.045 -66.8183 -25.0802 98.7524 8.28417 PRESSAVG: 4890000 4.41898 -23.1226 29.8255 -23.1225 10.8403 14.5799 29.8255 14.5799 -18.0055 GPRESSAVG: 4890000 5.97778 -23.7238 31.0786 -21.776 11.6761 16.2675 31.1264 15.0606 -20.657 TIMING: 4890000 CPU: 15268, 0.00313548/step Wall: 15268, 0.00313548/step, 0.0958064 hours remaining, 233.921875 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: 4890000 4024.3689 20636.2379 14465.5884 257.5085 -203189.7431 2526.0966 0.0000 0.0000 51749.1715 -109530.7713 297.4032 -161279.9428 -109175.1430 298.8160 80.2073 107.8338 761890.0865 -0.9154 -1.0010 PRESSURE: 4890200 -115.983 -182.511 21.13 -182.511 -21.81 158.304 21.1296 158.303 -185.767 GPRESSURE: 4890200 -169.295 -196.011 90.5522 -123.031 67.8553 199.224 -143.684 136.937 -148.595 PRESSAVG: 4890200 -48.6003 -1.39544 -13.2604 -1.39545 11.8052 16.5281 -13.2603 16.5281 -10.6722 GPRESSAVG: 4890200 -50.7787 -1.15017 -14.2847 -3.44194 12.1279 15.7348 -14.8032 15.8897 -9.08688 TIMING: 4890200 CPU: 15268.6, 0.00312694/step Wall: 15268.6, 0.00312694/step, 0.0953717 hours remaining, 233.910156 MB of memory in use. ENERGY: 4890200 3939.9071 20517.5945 14463.6416 250.1049 -202824.7071 2368.4891 0.0000 0.0000 51985.8659 -109299.1040 298.7635 -161284.9699 -108936.6780 298.6429 -107.8534 -83.3449 762862.1278 -15.8224 -15.9125 PRESSURE: 4890400 77.5129 69.879 -37.6062 69.8779 -331.455 59.892 -37.6062 59.8922 143.877 GPRESSURE: 4890400 -3.32888 28.4433 -111.387 -73.45 -277.28 47.9017 22.5502 74.2865 250.163 PRESSAVG: 4890400 40.6515 12.2908 -26.7764 12.2908 -28.6383 39.0561 -26.7764 39.0562 -0.856771 GPRESSAVG: 4890400 42.4223 10.6408 -27.2916 13.2117 -30.7825 38.5841 -26.8314 41.4058 -0.645994 TIMING: 4890400 CPU: 15269.3, 0.0031703/step Wall: 15269.3, 0.0031703/step, 0.0965179 hours remaining, 233.933594 MB of memory in use. ENERGY: 4890400 3978.2542 20598.2674 14333.8603 253.9257 -203073.0580 2420.6550 0.0000 0.0000 52192.6729 -109295.4225 299.9520 -161488.0954 -108933.8924 299.2000 -36.6882 -10.1488 762750.9948 3.7188 3.6646 PRESSURE: 4890600 -7.08469 -12.3299 227.028 -12.3296 -91.6981 -87.1499 227.029 -87.151 -222.148 GPRESSURE: 4890600 -41.1222 -119.305 110.224 21.546 -4.83915 -110.607 246.64 -78.948 -202.455 PRESSAVG: 4890600 -42.0822 42.3661 49.2485 42.3661 -15.2627 5.93025 49.2485 5.93023 9.72586 GPRESSAVG: 4890600 -43.4096 42.0498 49.7641 43.6184 -14.4389 5.83033 51.5274 4.35564 10.3503 TIMING: 4890600 CPU: 15269.9, 0.00313723/step Wall: 15269.9, 0.00313723/step, 0.095337 hours remaining, 233.933594 MB of memory in use. ENERGY: 4890600 4018.3489 20627.3159 14336.3557 250.4128 -203405.0834 2612.5770 0.0000 0.0000 52247.1284 -109312.9446 300.2650 -161560.0730 -108944.9885 299.5851 -106.9769 -82.8054 761417.7283 -15.8730 -15.8327 PRESSURE: 4890800 14.1481 12.3212 55.1142 12.3203 529.421 -91.6696 55.1143 -91.6698 367.791 GPRESSURE: 4890800 8.12649 -114.546 -15.3441 -61.6037 529.273 -178.646 121.817 -120.859 447.597 PRESSAVG: 4890800 28.1809 -25.5465 -35.5145 -25.5464 -29.762 14.171 -35.5145 14.1711 -8.77904 GPRESSAVG: 4890800 28.8858 -25.0608 -35.5812 -28.7339 -30.5032 13.4825 -38.5864 14.5982 -8.93378 TIMING: 4890800 CPU: 15270.5, 0.00311212/step Wall: 15270.5, 0.00311212/step, 0.0944009 hours remaining, 233.933594 MB of memory in use. ENERGY: 4890800 4027.2100 20591.7944 14379.9652 242.8647 -203448.0698 2814.9758 0.0000 0.0000 51967.0255 -109424.2342 298.6552 -161391.2597 -109070.2353 299.4751 303.7868 328.3322 760694.2175 -3.4534 -3.5171 PRESSURE: 4891000 -254.903 -121.681 -35.6405 -121.681 -416.454 85.6527 -35.6401 85.6523 -253.544 GPRESSURE: 4891000 -224.631 -79.8392 51.3371 -25.0429 -365.529 36.3415 -46.2835 133.127 -244.324 PRESSAVG: 4891000 -31.8146 -35.3002 16.3957 -35.3002 26.9893 -27.7037 16.3957 -27.7038 12.8716 GPRESSAVG: 4891000 -31.7092 -34.9851 15.5293 -33.7695 28.448 -25.5036 20.7066 -28.9852 11.4167 TIMING: 4891000 CPU: 15271.1, 0.00310057/step Wall: 15271.1, 0.00310057/step, 0.0938785 hours remaining, 233.933594 MB of memory in use. ENERGY: 4891000 4012.3085 20456.2952 14379.9883 254.6881 -203240.9268 2464.4484 0.0000 0.0000 52095.7276 -109577.4708 299.3949 -161673.1984 -109213.0049 299.2280 -308.3002 -278.1614 763498.0006 2.6821 2.7185 PRESSURE: 4891200 223.286 56.2645 190.282 56.2642 323.694 67.9414 190.281 67.9417 108.191 GPRESSURE: 4891200 151.64 115.285 200.078 80.5265 326.238 103.625 102.468 188.538 266.68 PRESSAVG: 4891200 44.3582 17.4863 -50.7808 17.4863 -42.2526 -28.9976 -50.7809 -28.9976 25.2442 GPRESSAVG: 4891200 44.342 19.1519 -50.9964 17.2167 -43.8963 -29.3104 -53.1535 -28.9281 27.1485 TIMING: 4891200 CPU: 15271.8, 0.00311968/step Wall: 15271.8, 0.00311968/step, 0.0942836 hours remaining, 233.933594 MB of memory in use. ENERGY: 4891200 3914.6687 20556.1721 14486.2259 237.1446 -203191.1161 2675.0841 0.0000 0.0000 51870.7669 -109451.0539 298.1020 -161321.8207 -109093.3051 298.4990 218.3904 248.1856 760814.8633 9.1166 9.1981 PRESSURE: 4891400 -264.049 61.128 -100.691 61.1291 82.2825 57.651 -100.691 57.6511 -10.7725 GPRESSURE: 4891400 -191.871 -21.2473 -134.514 169.137 48.4592 204.924 25.7309 141.014 47.9373 PRESSAVG: 4891400 -14.6062 40.2611 2.80467 40.2611 -5.51468 -28.1416 2.80466 -28.1416 12.0296 GPRESSAVG: 4891400 -13.1687 39.2488 3.59629 41.059 -5.64277 -28.1806 2.87928 -26.4064 11.0422 TIMING: 4891400 CPU: 15272.4, 0.00309888/step Wall: 15272.4, 0.00309888/step, 0.0934828 hours remaining, 233.933594 MB of memory in use. ENERGY: 4891400 3979.4535 20620.5290 14437.9083 244.8357 -202976.6851 2411.0468 0.0000 0.0000 51962.9692 -109319.9426 298.6319 -161282.9118 -108968.9117 299.0470 -64.1796 -31.8250 762954.7962 -2.6971 -2.5898 PRESSURE: 4891600 207.872 89.4186 -33.3176 89.419 -98.9988 107.237 -33.3178 107.236 364.375 GPRESSURE: 4891600 175.772 88.1221 -37.8682 84.9688 -9.11102 45.2021 -6.57906 136.194 409.566 PRESSAVG: 4891600 31.3407 11.4429 -9.0364 11.4429 37.7185 16.5444 -9.03641 16.5446 0.250442 GPRESSAVG: 4891600 29.8476 11.7373 -8.48978 13.1008 38.9891 16.4428 -7.96352 16.5144 0.465342 TIMING: 4891600 CPU: 15273, 0.00311113/step Wall: 15273, 0.00311113/step, 0.0936795 hours remaining, 233.933594 MB of memory in use. ENERGY: 4891600 3983.2237 20503.1144 14454.7194 240.5426 -203394.3557 2747.8909 0.0000 0.0000 52012.5927 -109452.2721 298.9171 -161464.8648 -109090.5462 298.9570 157.7496 192.0755 760752.0834 23.1032 23.1007 PRESSURE: 4891800 199.378 174.181 -115.778 174.18 -54.747 210.708 -115.779 210.707 323.888 GPRESSURE: 4891800 173.061 32.9109 -117.702 146.416 69.9003 258.624 -210.878 155.903 335.696 PRESSAVG: 4891800 -6.3647 -6.39087 -9.84569 -6.39079 50.9648 47.4188 -9.84572 47.4188 16.3865 GPRESSAVG: 4891800 -6.21998 -7.65945 -9.57886 -8.07433 51.2269 46.8169 -11.8936 47.416 16.2469 TIMING: 4891800 CPU: 15273.6, 0.00309275/step Wall: 15273.6, 0.00309275/step, 0.0929544 hours remaining, 233.933594 MB of memory in use. ENERGY: 4891800 4066.2946 20452.7743 14414.5044 276.0510 -203671.5291 3026.6348 0.0000 0.0000 51985.2830 -109449.9872 298.7601 -161435.2702 -109093.0616 299.0813 156.1732 192.8858 761917.7403 20.3289 20.4179 PRESSURE: 4892000 2.97727 5.44404 -78.2124 5.44349 -304.97 -206.325 -78.212 -206.325 -263.71 GPRESSURE: 4892000 51.5537 25.7862 -135.037 56.9939 -317.857 -185.668 -59.5959 -199.698 -213.831 PRESSAVG: 4892000 14.2652 -36.2858 -88.3015 -36.2858 -11.8372 12.0954 -88.3015 12.0954 -7.88243 GPRESSAVG: 4892000 14.0321 -36.9088 -89.9169 -36.0609 -11.5622 13.5913 -87.2 11.4769 -7.18163 TIMING: 4892000 CPU: 15274.2, 0.00309593/step Wall: 15274.2, 0.00309593/step, 0.0928779 hours remaining, 233.933594 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: 4892000 3982.6839 20703.5238 14403.7142 256.5066 -203443.3901 2557.8381 0.0000 0.0000 52112.7620 -109426.3615 299.4928 -161539.1235 -109067.8518 299.0561 -188.5676 -160.0447 761810.3107 -1.8181 -1.5706 PRESSURE: 4892200 -39.7648 59.8774 153.962 59.8784 -90.1912 72.2796 153.962 72.279 -186.806 GPRESSURE: 4892200 -127.495 169.648 109.597 32.6537 42.8575 20.0548 184.695 15.2434 -150.68 PRESSAVG: 4892200 31.4002 10.9317 -10.1477 10.9317 -11.7479 -34.9141 -10.1476 -34.9142 -4.3868 GPRESSAVG: 4892200 31.2574 13.089 -9.55997 11.3724 -11.568 -36.6982 -11.9155 -35.4036 -4.49423 TIMING: 4892200 CPU: 15274.9, 0.00310829/step Wall: 15274.9, 0.00310829/step, 0.0930759 hours remaining, 233.933594 MB of memory in use. ENERGY: 4892200 3993.5743 20571.4672 14431.9505 261.8851 -203316.5713 2598.2454 0.0000 0.0000 52113.4945 -109345.9543 299.4970 -161459.4488 -108992.3804 299.2492 -105.5874 -78.4391 761595.9161 5.0885 5.0651 LDB: ============= START OF LOAD BALANCING ============== 15287.3 LDB: ============== END OF LOAD BALANCING =============== 15287.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15287.3 LDB: ============= START OF LOAD BALANCING ============== 15287.7 LDB: Largest compute 7028 load 0.033990 is 17.4% of average load 0.195222 LDB: Average compute 0.004390 is 2.2% of average load 0.195222 LDB: TIME 15287.7 LOAD: AVG 0.195222 MAX 0.215294 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.262 MB LDB: TIME 15287.7 LOAD: AVG 0.195222 MAX 0.215294 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.34 MB LDB: TIME 15287.7 LOAD: AVG 0.195222 MAX 0.215294 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.34 MB LDB: ============== END OF LOAD BALANCING =============== 15287.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15287.7 PRESSURE: 4892400 -104.717 169.103 314.633 169.103 -135.238 70.6189 314.633 70.6186 -54.769 GPRESSURE: 4892400 -46.0317 177.434 308.328 80.4746 -63.1328 84.2905 299.941 0.103782 -103.013 PRESSAVG: 4892400 13.8021 50.8316 40.4738 50.8316 44.2221 -38.1738 40.4738 -38.1738 0.105886 GPRESSAVG: 4892400 14.425 49.1149 40.1882 52.42 44.1906 -39.3899 40.7801 -36.535 -0.423121 TIMING: 4892400 CPU: 15275.5, 0.00319461/step Wall: 15275.5, 0.00319461/step, 0.0954833 hours remaining, 235.542969 MB of memory in use. ENERGY: 4892400 3901.6334 20314.2704 14425.9772 252.7695 -203067.2464 2578.8372 0.0000 0.0000 52421.4911 -109172.2676 301.2670 -161593.7588 -108807.5966 299.5351 -98.2412 -70.7257 763483.3000 19.3767 19.3975 PRESSURE: 4892600 -214.602 -166.282 114.801 -166.282 7.39762 -204.426 114.801 -204.426 -17.2053 GPRESSURE: 4892600 -190.036 -75.8033 76.6241 -233.787 -17.8603 -74.1371 130.809 -180.194 48.6837 PRESSAVG: 4892600 3.17048 -20.2295 7.38475 -20.2295 33.5188 0.0326041 7.38476 0.0326436 -2.28594 GPRESSAVG: 4892600 3.53612 -20.0573 7.94704 -22.9736 33.7486 0.830992 8.22064 -2.98877 -2.32154 TIMING: 4892600 CPU: 15276.1, 0.00309987/step Wall: 15276.1, 0.00309987/step, 0.0924795 hours remaining, 235.542969 MB of memory in use. ENERGY: 4892600 3991.1913 20462.0998 14478.4046 244.8779 -203430.0021 2833.3458 0.0000 0.0000 52315.4756 -109104.6071 300.6578 -161420.0827 -108748.2953 299.8864 -74.8032 -53.0710 763425.2774 11.4678 11.6544 PRESSURE: 4892800 -41.7198 41.7538 21.5682 41.7528 -245.247 -32.146 21.5684 -32.1459 -177.933 GPRESSURE: 4892800 -31.4216 -80.4841 56.2608 204.894 -211.136 -20.6082 5.12349 69.9407 -137.651 PRESSAVG: 4892800 47.2638 -28.4184 -9.09262 -28.4183 -32.7002 -56.0427 -9.09265 -56.0427 -8.10835 GPRESSAVG: 4892800 48.2355 -27.9382 -8.5487 -26.9979 -33.8882 -54.5884 -8.40836 -53.6367 -8.54696 TIMING: 4892800 CPU: 15276.7, 0.00310571/step Wall: 15276.7, 0.00310571/step, 0.0924812 hours remaining, 235.542969 MB of memory in use. ENERGY: 4892800 3959.3678 20488.7066 14454.1290 235.0156 -202730.5990 2309.1222 0.0000 0.0000 52050.3250 -109233.9329 299.1339 -161284.2579 -108871.8201 300.0230 -154.9666 -126.7361 765002.6516 2.1517 1.9334 PRESSURE: 4893000 -89.6127 97.7819 -126.232 97.7812 145.971 -134.364 -126.232 -134.364 -80.1488 GPRESSURE: 4893000 -134.961 176.494 -68.0825 6.31282 201.074 -144.221 -6.80294 -160.489 6.7032 PRESSAVG: 4893000 61.1245 13.4644 -9.73138 13.4643 -54.4249 -51.2005 -9.73138 -51.2005 -3.65398 GPRESSAVG: 4893000 59.3192 12.0251 -11.6029 12.481 -52.4975 -51.483 -9.16638 -51.0842 -4.1044 TIMING: 4893000 CPU: 15277.4, 0.00311495/step Wall: 15277.4, 0.00311495/step, 0.0925832 hours remaining, 235.941406 MB of memory in use. ENERGY: 4893000 3962.2294 20534.3870 14413.6395 228.9814 -203338.4086 2793.0875 0.0000 0.0000 52237.7393 -109168.3446 300.2110 -161406.0839 -108803.2139 299.4820 -7.9302 24.2722 764347.3934 1.0152 0.9058 PRESSURE: 4893200 -94.3949 4.79507 -325.432 4.79511 -104.138 27.2147 -325.432 27.2137 96.7001 GPRESSURE: 4893200 -97.2987 -36.897 -328.666 113.999 -87.7188 98.2837 -445.577 80.7445 169.597 PRESSAVG: 4893200 -9.68382 3.2818 -50.9501 3.28187 -31.1014 -17.1675 -50.9501 -17.1676 -15.1791 GPRESSAVG: 4893200 -9.50253 3.46685 -51.0228 4.53561 -30.7714 -18.5065 -51.2666 -17.4607 -14.9042 TIMING: 4893200 CPU: 15278, 0.00310961/step Wall: 15278, 0.00310961/step, 0.0922518 hours remaining, 235.941406 MB of memory in use. ENERGY: 4893200 3984.6302 20588.2954 14435.7644 248.9047 -203138.8490 2549.2341 0.0000 0.0000 52231.1301 -109100.8901 300.1730 -161332.0203 -108742.7134 299.6975 -33.9444 -5.1401 762773.0359 -18.6548 -18.3927 PRESSURE: 4893400 124.218 -163.34 10.8476 -163.34 231.334 123.165 10.8457 123.164 186.152 GPRESSURE: 4893400 196.044 -121.022 23.1211 -189.839 179.457 117.764 -17.6781 87.2121 229.803 PRESSAVG: 4893400 -35.4467 -27.4986 -3.24688 -27.4986 31.9301 11.8115 -3.24688 11.8114 11.3789 GPRESSAVG: 4893400 -35.9024 -26.8982 -1.44003 -27.1633 30.8701 11.8222 -5.80519 12.3548 13.2511 TIMING: 4893400 CPU: 15278.6, 0.00311201/step Wall: 15278.6, 0.00311201/step, 0.0921502 hours remaining, 235.941406 MB of memory in use. ENERGY: 4893400 4032.1956 20384.7244 14377.3491 251.7105 -203512.6153 3007.7941 0.0000 0.0000 52561.6732 -108897.1684 302.0727 -161458.8416 -108527.6251 300.4371 180.5678 201.7680 763529.2478 2.6208 2.7396 PRESSURE: 4893600 -135.724 -158.606 -200.984 -158.605 156.677 -458.827 -200.984 -458.827 -54.9552 GPRESSURE: 4893600 -5.93072 -66.4167 -218.888 -189.632 176.541 -475.993 -129.603 -401.044 -116.379 PRESSAVG: 4893600 -16.9654 -22.8662 -25.5824 -22.8662 11.6166 -19.6021 -25.5824 -19.6021 -10.5076 GPRESSAVG: 4893600 -15.8802 -21.8397 -27.4793 -25.5934 12.4378 -19.1478 -21.3734 -19.9836 -12.4675 TIMING: 4893600 CPU: 15279.2, 0.00310343/step Wall: 15279.2, 0.00310343/step, 0.0917237 hours remaining, 235.941406 MB of memory in use. ENERGY: 4893600 4053.8760 20510.2200 14448.0368 255.3579 -203349.7347 2871.3059 0.0000 0.0000 52250.4982 -108960.4399 300.2843 -161210.9381 -108600.0937 300.3993 -11.3342 18.0770 763209.0091 -5.2854 -5.3033 PRESSURE: 4893800 -41.1567 -5.2782 85.8895 -5.2791 -254.93 86.6191 85.8896 86.6182 -220.273 GPRESSURE: 4893800 21.0062 31.7437 145.5 81.2081 -235.737 159.973 181.869 -72.8408 -192.33 PRESSAVG: 4893800 12.1736 -52.3283 -9.76874 -52.3283 39.5433 -34.5113 -9.76879 -34.5113 20.7865 GPRESSAVG: 4893800 11.0791 -54.176 -7.57272 -48.5811 39.8566 -33.2223 -12.1407 -37.8207 20.7985 TIMING: 4893800 CPU: 15279.9, 0.00311493/step Wall: 15279.9, 0.00311493/step, 0.0918906 hours remaining, 235.941406 MB of memory in use. ENERGY: 4893800 3933.5736 20680.4694 14397.9708 240.7672 -203347.4659 2984.8912 0.0000 0.0000 52136.4256 -108973.3680 299.6288 -161109.7936 -108611.4816 300.1064 -172.1199 -135.6868 762161.9591 24.1678 23.9114 PRESSURE: 4894000 187.652 219.374 -235.677 219.375 280.462 183.525 -235.676 183.526 -419.429 GPRESSURE: 4894000 226.446 125.308 -224.59 115.144 287.178 191.498 -217.311 165.317 -364.133 PRESSAVG: 4894000 47.77 -27.1356 -18.8163 -27.1357 -43.0574 -20.0818 -18.8163 -20.0818 7.36842 GPRESSAVG: 4894000 48.1523 -26.5089 -20.3594 -29.0722 -44.781 -20.8138 -17.7657 -19.2278 8.33247 TIMING: 4894000 CPU: 15280.5, 0.00313473/step Wall: 15280.5, 0.00313473/step, 0.0923003 hours remaining, 235.941406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4894000 3932.5890 20675.3048 14330.1916 244.2957 -203321.5704 2738.2263 0.0000 0.0000 52446.5809 -108954.3821 301.4112 -161400.9630 -108582.3183 300.4320 16.2281 49.8305 764486.4533 4.0270 3.9013 PRESSURE: 4894200 -426.917 -74.2768 173.322 -74.2771 101.313 105.266 173.321 105.267 82.7216 GPRESSURE: 4894200 -299.248 98.4044 115.349 -102.462 16.8342 40.9559 121.423 157.824 122.961 PRESSAVG: 4894200 -7.2703 -18.8949 -13.8153 -18.8948 -2.35185 15.5643 -13.8153 15.5644 -4.53153 GPRESSAVG: 4894200 -7.90336 -19.5739 -14.1855 -19.6312 -2.1887 16.6457 -15.6644 15.2895 -4.17894 TIMING: 4894200 CPU: 15281.1, 0.00313594/step Wall: 15281.1, 0.00313594/step, 0.0921619 hours remaining, 235.941406 MB of memory in use. ENERGY: 4894200 3933.4781 20469.8318 14409.0612 240.5286 -202686.5075 2532.3381 0.0000 0.0000 52073.2055 -109028.0641 299.2654 -161101.2696 -108667.3739 299.9885 -80.9607 -53.1509 765360.7652 -4.7179 -4.7570 PRESSURE: 4894400 -61.1065 330.973 -101.154 330.973 370.173 -2.43744 -101.154 -2.4385 181.036 GPRESSURE: 4894400 -12.0777 378.757 -148.792 348.219 325.49 4.04381 21.8737 10.5852 249.55 PRESSAVG: 4894400 35.5843 4.88866 -38.9241 4.88866 -21.527 64.0303 -38.9241 64.0302 -9.19667 GPRESSAVG: 4894400 36.6407 6.57164 -37.5497 3.44446 -21.5814 62.1197 -37.6253 65.1551 -10.1954 TIMING: 4894400 CPU: 15281.7, 0.00314452/step Wall: 15281.7, 0.00314452/step, 0.0922393 hours remaining, 236.144531 MB of memory in use. ENERGY: 4894400 3947.2989 20515.5636 14377.5948 215.6416 -203362.4180 2898.3665 0.0000 0.0000 51922.6173 -109485.3353 298.4000 -161407.9526 -109125.6701 299.4079 163.3676 187.6542 763810.0188 1.6202 1.6213 PRESSURE: 4894600 -126.03 -152.848 -191.523 -152.848 -168.328 81.6539 -191.523 81.6545 147.743 GPRESSURE: 4894600 -135.108 -205.732 -183.23 -189.155 -85.4042 141.828 -182.4 30.169 131.97 PRESSAVG: 4894600 -22.0967 -18.4238 -13.2302 -18.4238 -13.6705 8.00277 -13.2301 8.0028 -8.54642 GPRESSAVG: 4894600 -22.7594 -20.7196 -14.8299 -16.7546 -12.2406 8.8958 -12.6075 8.54158 -9.19816 TIMING: 4894600 CPU: 15282.4, 0.00312991/step Wall: 15282.4, 0.00312991/step, 0.0916369 hours remaining, 236.144531 MB of memory in use. ENERGY: 4894600 3938.5331 20512.5308 14470.8370 237.9126 -203441.4934 2651.1454 0.0000 0.0000 52350.3928 -109280.1418 300.8584 -161630.5346 -108914.3129 299.4058 -48.8715 -29.5139 763192.3940 -14.7712 -14.7327 PRESSURE: 4894800 -526.243 -119.464 39.1571 -119.464 -439.157 -58.0044 39.1577 -58.0044 84.4649 GPRESSURE: 4894800 -380.634 -186.8 24.3287 -103.617 -438.102 -82.198 -127.804 -113.362 15.4843 PRESSAVG: 4894800 55.8709 -18.6943 0.439063 -18.6943 -35.3811 -31.4293 0.439055 -31.4292 -6.05104 GPRESSAVG: 4894800 57.1342 -16.8186 0.840929 -18.692 -37.0216 -31.9112 -0.21437 -31.3871 -5.14024 TIMING: 4894800 CPU: 15283, 0.0031331/step Wall: 15283, 0.0031331/step, 0.0915563 hours remaining, 236.144531 MB of memory in use. ENERGY: 4894800 3992.2643 20475.4366 14452.6708 260.0968 -202843.8760 2395.3472 0.0000 0.0000 52003.3001 -109264.7601 298.8637 -161268.0603 -108901.0463 299.5109 -293.6450 -267.7505 764603.9125 4.8129 4.9908 PRESSURE: 4895000 -93.6337 -103.989 358.702 -103.989 -166.415 -217.823 358.702 -217.824 180.901 GPRESSURE: 4895000 -106.926 -79.4856 362.22 -70.7807 -137.191 -195.52 287.795 -162.178 254.662 PRESSAVG: 4895000 -24.4841 -23.3442 19.7517 -23.3441 4.51448 30.5612 19.7517 30.5612 -20.7152 GPRESSAVG: 4895000 -25.6168 -23.8238 20.9411 -22.6752 5.18012 29.1253 16.5888 31.5752 -20.32 TIMING: 4895000 CPU: 15283.6, 0.00314272/step Wall: 15283.6, 0.00314272/step, 0.0916627 hours remaining, 236.144531 MB of memory in use. ENERGY: 4895000 4058.0932 20514.5881 14395.0201 246.0651 -203222.5723 2713.6929 0.0000 0.0000 51764.1594 -109530.9536 297.4893 -161295.1130 -109177.7940 298.8441 -26.3824 3.5150 763016.7640 -13.5616 -13.5856 PRESSURE: 4895200 137.484 -6.92356 103.129 -6.92287 110.388 -1.27376 103.129 -1.27372 48.1431 GPRESSURE: 4895200 139.043 14.0859 27.9437 68.7697 157.398 49.7184 112.634 -46.1097 90.6653 PRESSAVG: 4895200 4.21489 14.3204 28.7401 14.3204 -20.2231 -4.61407 28.7401 -4.61408 3.69564 GPRESSAVG: 4895200 4.72709 13.5352 27.5269 14.0448 -21.2756 -4.47231 32.3307 -3.88019 4.27184 TIMING: 4895200 CPU: 15284.3, 0.00315539/step Wall: 15284.3, 0.00315539/step, 0.0918568 hours remaining, 236.144531 MB of memory in use. ENERGY: 4895200 3999.4281 20544.2967 14373.4414 251.6377 -203326.4716 2649.2435 0.0000 0.0000 51680.8998 -109827.5245 297.0108 -161508.4243 -109477.9944 298.4288 98.6719 129.0354 761009.6681 -4.1042 -4.0922 PRESSURE: 4895400 -215.691 -222.27 168.916 -222.27 -382.097 -128.219 168.916 -128.219 -232.57 GPRESSURE: 4895400 -305.318 -157.862 138.372 -278.449 -240.041 -107.509 53.8199 -166.871 -192.913 PRESSAVG: 4895400 -43.0269 -9.95492 20.3121 -9.95486 32.8085 -2.61873 20.3121 -2.61874 19.7864 GPRESSAVG: 4895400 -44.3113 -8.16512 21.5613 -11.2629 35.5346 -3.08769 19.5384 -2.72156 18.6665 TIMING: 4895400 CPU: 15284.9, 0.00314929/step Wall: 15284.9, 0.00314929/step, 0.0915042 hours remaining, 236.144531 MB of memory in use. ENERGY: 4895400 4026.4348 20439.0014 14389.7858 234.7568 -203559.4616 2777.3971 0.0000 0.0000 51872.5605 -109819.5253 298.1123 -161692.0858 -109456.4966 298.1374 -276.7862 -246.0906 763063.7133 3.1894 3.2966 PRESSURE: 4895600 -35.9993 29.4381 107.427 29.4379 -91.2187 137.571 107.428 137.572 -238.04 GPRESSURE: 4895600 36.5124 22.8979 81.5424 -49.1164 -53.6994 131.881 241.676 111.364 -262.639 PRESSAVG: 4895600 -4.42283 43.9742 40.1379 43.9743 -28.2157 -17.0363 40.1379 -17.0364 -21.1507 GPRESSAVG: 4895600 -3.88867 41.7717 39.0749 44.9782 -28.4135 -16.243 37.7665 -17.3335 -20.8765 TIMING: 4895600 CPU: 15285.5, 0.0031096/step Wall: 15285.5, 0.0031096/step, 0.0901783 hours remaining, 236.144531 MB of memory in use. ENERGY: 4895600 4038.7117 20644.1674 14381.4077 239.2920 -203760.1350 2921.6920 0.0000 0.0000 51910.1228 -109624.7415 298.3282 -161534.8643 -109263.8977 298.7020 -121.7526 -93.2754 761525.1888 -17.9297 -17.7262 PRESSURE: 4895800 53.9643 13.5839 95.5461 13.5839 -139.592 -123.658 95.5461 -123.658 40.4641 GPRESSURE: 4895800 120.418 -11.0506 122.842 -87.6597 -148.223 -167.319 128.571 -198.971 65.0524 PRESSAVG: 4895800 -40.1218 41.5311 24.129 41.5311 5.51661 6.0564 24.1289 6.05641 11.5848 GPRESSAVG: 4895800 -38.7418 42.8821 22.655 40.0921 4.69102 6.52024 29.0925 5.53726 10.7185 TIMING: 4895800 CPU: 15286.1, 0.00311129/step Wall: 15286.1, 0.00311129/step, 0.0900545 hours remaining, 236.144531 MB of memory in use. ENERGY: 4895800 4004.5966 20495.4078 14364.8391 252.4829 -203426.1320 2493.7441 0.0000 0.0000 52160.3753 -109654.6863 299.7664 -161815.0616 -109290.3521 298.7975 -15.0546 12.4156 762078.0516 -7.6735 -7.7774 PRESSURE: 4896000 145.184 -142.601 158.28 -142.6 -22.5436 113.233 158.28 113.233 -254.415 GPRESSURE: 4896000 62.7366 -42.3982 6.12015 -140.631 36.5711 59.2911 130.446 33.0612 -144.766 PRESSAVG: 4896000 2.77147 57.3902 -5.73823 57.3901 -7.30986 -2.70207 -5.73826 -2.70202 -7.46732 GPRESSAVG: 4896000 2.34391 57.3148 -4.8274 59.5256 -6.54939 -2.45533 -6.56857 -4.8551 -7.54569 TIMING: 4896000 CPU: 15286.7, 0.00310319/step Wall: 15286.7, 0.00310319/step, 0.0896477 hours remaining, 236.144531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4896000 4026.4290 20448.3221 14372.8723 241.5844 -203091.3943 2615.2761 0.0000 0.0000 51825.7697 -109561.1406 297.8434 -161386.9103 -109209.6899 298.7490 -43.9250 -15.1528 763728.3395 -4.0019 -3.9171 PRESSURE: 4896200 -347.576 -55.052 -29.9374 -55.0516 -292.679 -124.71 -29.9372 -124.71 46.5807 GPRESSURE: 4896200 -344.558 -72.6176 49.9503 67.0269 -249.796 -61.7983 -122.679 -0.634303 78.8181 PRESSAVG: 4896200 59.8315 42.9497 75.8948 42.9497 -23.4308 -15.4511 75.8948 -15.4511 -16.726 GPRESSAVG: 4896200 59.1456 40.7538 77.2716 41.5618 -23.245 -17.9581 73.5476 -14.0331 -16.0889 TIMING: 4896200 CPU: 15287.4, 0.00311254/step Wall: 15287.4, 0.00311254/step, 0.0897449 hours remaining, 236.144531 MB of memory in use. ENERGY: 4896200 4007.6150 20377.5398 14461.4376 251.6581 -203461.3099 2552.7664 0.0000 0.0000 52021.9875 -109788.3054 298.9711 -161810.2929 -109429.2595 298.6920 -197.8912 -171.8452 763074.4619 6.5582 6.6039 LDB: ============= START OF LOAD BALANCING ============== 15299.8 LDB: ============== END OF LOAD BALANCING =============== 15299.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15299.8 LDB: ============= START OF LOAD BALANCING ============== 15300.2 LDB: Largest compute 7028 load 0.034367 is 17.6% of average load 0.195177 LDB: Average compute 0.004391 is 2.2% of average load 0.195177 LDB: TIME 15300.2 LOAD: AVG 0.195177 MAX 0.220135 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.812 MB LDB: TIME 15300.2 LOAD: AVG 0.195177 MAX 0.220135 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.812 MB LDB: TIME 15300.2 LOAD: AVG 0.195177 MAX 0.212734 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.812 MB LDB: ============== END OF LOAD BALANCING =============== 15300.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15300.2 PRESSURE: 4896400 -289.266 -204.371 -21.1869 -204.371 -25.9309 57.2092 -21.187 57.2084 -7.75241 GPRESSURE: 4896400 -127.294 -175.041 35.1302 -157.893 -26.0953 69.4487 -140.191 129.326 -98.8932 PRESSAVG: 4896400 -29.1645 -6.58718 1.97591 -6.58721 50.0715 -14.7433 1.97601 -14.7432 22.2365 GPRESSAVG: 4896400 -29.0254 -5.08534 0.537891 -5.68392 49.5672 -12.8683 4.20046 -15.5027 22.4485 TIMING: 4896400 CPU: 15288, 0.00317314/step Wall: 15288, 0.00317314/step, 0.091316 hours remaining, 234.519531 MB of memory in use. ENERGY: 4896400 4040.2478 20317.7390 14479.3502 246.6233 -203147.9486 2748.5253 0.0000 0.0000 51739.8641 -109575.5990 297.3497 -161315.4630 -109219.0324 298.2363 -107.6499 -84.0942 763569.2073 14.3812 14.3301 PRESSURE: 4896600 26.962 73.8834 -277.72 73.8827 207.512 -31.6757 -277.72 -31.676 180.008 GPRESSURE: 4896600 150.091 149.811 -218.263 146.751 214.159 -69.2565 -205.55 -65.7546 130.617 PRESSAVG: 4896600 -6.19096 1.25171 -18.9197 1.25173 31.6832 -19.1996 -18.9196 -19.1995 -0.407615 GPRESSAVG: 4896600 -5.49995 1.52511 -18.3332 -0.473588 32.9153 -17.8302 -20.4444 -19.2244 -1.58561 TIMING: 4896600 CPU: 15288.6, 0.003112/step Wall: 15288.6, 0.003112/step, 0.0893835 hours remaining, 234.585938 MB of memory in use. ENERGY: 4896600 3990.4625 20254.7622 14484.6733 262.7679 -203505.7640 2872.2673 0.0000 0.0000 51909.7357 -109731.0951 298.3260 -161640.8308 -109368.3142 298.3685 138.1608 164.9559 763068.7435 8.3615 8.6099 PRESSURE: 4896800 -101.418 46.3873 -94.3517 46.3871 -238.683 140.271 -94.3518 140.27 -242.021 GPRESSURE: 4896800 -103.691 61.7381 -47.345 25.2965 -211.956 70.065 -139.549 208.235 -184.242 PRESSAVG: 4896800 6.85867 48.6924 -25.7 48.6924 24.7305 36.1735 -25.6999 36.1735 -0.679008 GPRESSAVG: 4896800 6.02427 49.1278 -24.0132 49.657 23.9192 35.573 -24.7024 33.7615 0.795608 TIMING: 4896800 CPU: 15289.3, 0.0031141/step Wall: 15289.3, 0.0031141/step, 0.0892709 hours remaining, 234.585938 MB of memory in use. ENERGY: 4896800 4068.0342 20375.6320 14419.4607 261.1089 -203453.6090 2816.5600 0.0000 0.0000 52007.1434 -109505.6698 298.8858 -161512.8132 -109153.9823 298.4034 -194.0404 -166.6297 765020.7635 10.3034 10.2464 PRESSURE: 4897000 5.56536 -53.9385 -23.7394 -53.9395 -421.925 -84.082 -23.7395 -84.0817 -62.7804 GPRESSURE: 4897000 -21.7272 14.2108 -29.533 -133.881 -406.373 42.6878 -54.7138 -43.553 35.6313 PRESSAVG: 4897000 23.5741 37.4322 -53.0813 37.4322 -7.22826 33.5063 -53.0813 33.5062 -6.1057 GPRESSAVG: 4897000 24.6535 34.6298 -53.218 39.8981 -8.26777 31.4033 -54.3932 35.6671 -6.62439 TIMING: 4897000 CPU: 15289.9, 0.00311017/step Wall: 15289.9, 0.00311017/step, 0.0889855 hours remaining, 234.640625 MB of memory in use. ENERGY: 4897000 3914.8330 20313.5051 14364.5591 258.2939 -202848.7074 2534.2427 0.0000 0.0000 51795.0002 -109668.2733 297.6666 -161463.2735 -109311.7224 298.3446 -159.7135 -130.8228 765513.3903 3.4134 3.2538 PRESSURE: 4897200 240.636 -51.4543 -26.6057 -51.4541 -29.0749 -187.038 -26.6058 -187.038 -562.423 GPRESSURE: 4897200 190.62 28.5667 -64.8476 -87.2252 15.3001 -106.568 104.923 -206.075 -475.437 PRESSAVG: 4897200 -11.1853 15.021 -38.8975 15.021 15.3098 -2.91788 -38.8975 -2.91785 11.6861 GPRESSAVG: 4897200 -12.475 16.5848 -39.4472 12.1099 17.061 -1.38037 -38.3254 -3.17528 11.6525 TIMING: 4897200 CPU: 15290.5, 0.00310022/step Wall: 15290.5, 0.00310022/step, 0.0885286 hours remaining, 234.640625 MB of memory in use. ENERGY: 4897200 4039.8191 20173.0209 14434.5360 261.7623 -203484.6642 2895.8009 0.0000 0.0000 51866.7673 -109812.9576 298.0790 -161679.7249 -109449.7900 298.5467 -116.9539 -89.8391 763484.0547 5.2702 5.4128 PRESSURE: 4897400 -394.42 178.537 93.5624 178.537 -109.916 7.79246 93.5614 7.79371 12.192 GPRESSURE: 4897400 -297.466 120.799 86.1989 238.567 -114.836 128.067 26.3872 -2.19081 -0.19515 PRESSAVG: 4897400 15.3747 -2.82079 9.83496 -2.82082 26.6372 31.8378 9.83499 31.8377 -10.4123 GPRESSAVG: 4897400 16.6326 -2.08718 10.0546 -2.09742 25.4841 31.1359 8.72814 32.7213 -10.5676 TIMING: 4897400 CPU: 15291.1, 0.00308632/step Wall: 15291.1, 0.00308632/step, 0.0879602 hours remaining, 234.640625 MB of memory in use. ENERGY: 4897400 3943.0349 20313.4687 14433.8068 259.4520 -203319.1292 2487.0871 0.0000 0.0000 52018.3631 -109863.9166 298.9502 -161882.2797 -109498.4038 298.2501 -164.0477 -137.4989 761182.4748 10.5332 10.5164 PRESSURE: 4897600 15.1751 -100.354 93.2444 -100.354 -234.916 -36.7284 93.2449 -36.7285 78.5348 GPRESSURE: 4897600 -82.1834 -37.7118 22.8692 74.0716 -113.752 -28.5679 34.2086 -13.1528 156.544 PRESSAVG: 4897600 8.25215 54.5155 -29.848 54.5155 -5.0927 21.9387 -29.848 21.9388 -12.9461 GPRESSAVG: 4897600 7.6532 52.9952 -30.387 53.5943 -5.5892 23.2222 -29.0611 21.1794 -11.3847 TIMING: 4897600 CPU: 15291.7, 0.00308964/step Wall: 15291.7, 0.00308964/step, 0.0878831 hours remaining, 234.710938 MB of memory in use. ENERGY: 4897600 3949.6123 20550.8439 14396.6527 267.1188 -203397.4152 2588.7122 0.0000 0.0000 51626.1161 -110018.3592 296.6960 -161644.4753 -109665.5341 298.0042 -47.0688 -13.1303 761199.3414 -3.2622 -3.1069 PRESSURE: 4897800 198.426 -144.916 -69.3243 -144.917 73.64 146.548 -69.324 146.547 215.019 GPRESSURE: 4897800 326.465 -114.513 -92.9364 -96.516 107.052 134.725 -25.5284 63.2496 138.742 PRESSAVG: 4897800 3.90666 24.4923 22.4442 24.4923 41.7446 -3.07541 22.4442 -3.07542 13.2998 GPRESSAVG: 4897800 4.91608 27.3246 23.3014 24.6603 42.5983 -2.66217 22.369 -2.60845 11.8072 TIMING: 4897800 CPU: 15292.3, 0.00308667/step Wall: 15292.3, 0.00308667/step, 0.087627 hours remaining, 234.710938 MB of memory in use. ENERGY: 4897800 3930.7454 20429.3735 14430.1072 260.1740 -204261.8261 3201.5868 0.0000 0.0000 52290.0437 -109719.7956 300.5116 -162009.8393 -109367.6247 298.3183 162.3618 190.7531 759198.2500 19.6503 19.7739 PRESSURE: 4898000 -363.167 23.8001 -64.463 23.8003 2.99554 3.45024 -64.4636 3.45146 -26.1539 GPRESSURE: 4898000 -358.686 -30.6482 -41.7372 103.497 31.4941 82.2964 -270.173 3.47866 21.3569 PRESSAVG: 4898000 21.6986 34.7696 7.55424 34.7696 19.7837 -43.6673 7.55424 -43.6673 -3.74703 GPRESSAVG: 4898000 20.1989 32.6166 6.95631 35.91 20.3414 -44.3066 5.92754 -44.5713 -2.67529 TIMING: 4898000 CPU: 15293, 0.00310838/step Wall: 15293, 0.00310838/step, 0.0880708 hours remaining, 234.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4898000 4036.4406 20409.2666 14504.1275 236.9907 -203677.1212 2819.0444 0.0000 0.0000 51998.9282 -109672.3231 298.8386 -161671.2513 -109321.0867 299.0284 -128.7752 -101.9450 761155.8624 12.5784 12.6217 PRESSURE: 4898200 155.113 -28.4077 -350.814 -28.408 173.528 -69.7932 -350.813 -69.794 -293.667 GPRESSURE: 4898200 253.248 -97.3676 -307.695 60.0072 177.965 -121.624 -332.918 -202.314 -320.405 PRESSAVG: 4898200 22.6534 -24.9669 7.20332 -24.9669 -48.0541 1.97009 7.20334 1.97007 -7.14407 GPRESSAVG: 4898200 23.0966 -25.3783 5.79716 -25.0908 -48.1887 2.17218 8.72364 3.76996 -7.67248 TIMING: 4898200 CPU: 15293.6, 0.00309722/step Wall: 15293.6, 0.00309722/step, 0.0875824 hours remaining, 234.710938 MB of memory in use. ENERGY: 4898200 4005.6431 20519.8314 14377.1334 249.3139 -203702.4462 2899.6194 0.0000 0.0000 51990.7480 -109660.1571 298.7915 -161650.9050 -109289.7367 299.0511 11.6578 36.9362 762677.8677 -10.8483 -10.9215 PRESSURE: 4898400 -56.8982 -14.2142 -11.569 -14.2144 216.559 -26.5017 -11.5689 -26.5009 191.031 GPRESSURE: 4898400 27.9231 47.6471 64.3967 -4.82697 210.215 -31.4632 -53.9545 -99.3625 207.207 PRESSAVG: 4898400 26.2718 -4.61629 -30.2682 -4.61635 -0.352985 -73.1735 -30.2681 -73.1736 8.35361 GPRESSAVG: 4898400 26.7912 -3.14271 -29.2497 -5.25471 -0.598771 -75.628 -30.7611 -74.1611 8.39358 TIMING: 4898400 CPU: 15294.2, 0.00311422/step Wall: 15294.2, 0.00311422/step, 0.0878901 hours remaining, 234.710938 MB of memory in use. ENERGY: 4898400 4079.9844 20406.4405 14421.1549 260.4623 -203906.8901 2981.4268 0.0000 0.0000 52074.0863 -109683.3349 299.2705 -161757.4212 -109320.9710 299.1067 116.8975 148.4483 761153.4539 11.4241 11.5287 PRESSURE: 4898600 214.815 -82.7955 58.2854 -82.7958 -114.783 -242.165 58.2855 -242.166 -536.582 GPRESSURE: 4898600 192.563 -97.1528 54.8621 -42.6023 -92.3529 -185.489 53.6418 -138.362 -466.395 PRESSAVG: 4898600 5.8397 3.18912 -10.8317 3.18915 35.9944 -22.6115 -10.8317 -22.6115 23.9458 GPRESSAVG: 4898600 5.39196 1.56551 -10.845 4.57565 35.3109 -20.355 -9.85827 -22.6132 24.8963 TIMING: 4898600 CPU: 15294.8, 0.00311907/step Wall: 15294.8, 0.00311907/step, 0.0878538 hours remaining, 234.710938 MB of memory in use. ENERGY: 4898600 4083.3993 20769.5326 14395.6944 255.1330 -203610.9463 2880.7187 0.0000 0.0000 51714.1737 -109512.2945 297.2021 -161226.4682 -109149.5709 299.1424 -145.5169 -122.0617 762627.3665 21.9266 21.8664 PRESSURE: 4898800 -391.874 188.813 -138.818 188.813 -21.6641 67.0216 -138.818 67.021 120.051 GPRESSURE: 4898800 -265.758 213.738 -130.498 263.186 -79.3179 184.657 -176.473 49.6152 111.861 PRESSAVG: 4898800 -84.2583 -1.69109 -40.9443 -1.69109 40.772 -12.979 -40.9443 -12.979 -42.0428 GPRESSAVG: 4898800 -84.4722 0.340927 -40.3863 -3.30999 42.0924 -14.6154 -42.7649 -12.1704 -42.9294 TIMING: 4898800 CPU: 15295.5, 0.00311045/step Wall: 15295.5, 0.00311045/step, 0.0874383 hours remaining, 234.710938 MB of memory in use. ENERGY: 4898800 4039.9377 20485.1719 14381.7989 250.3197 -203581.7020 2872.4158 0.0000 0.0000 51884.6392 -109667.4188 298.1817 -161552.0580 -109311.6275 298.3744 -97.8291 -77.7385 762598.7119 -28.5097 -28.4364 PRESSURE: 4899000 -286.201 -118.084 -56.8637 -118.083 182.125 -22.0134 -56.8649 -22.0131 257.708 GPRESSURE: 4899000 -263.426 -146.855 -180.5 -187.696 282.008 -67.239 -28.7743 104.701 222.068 PRESSAVG: 4899000 -30.726 -2.84829 -21.8288 -2.84831 33.0589 -28.3986 -21.8289 -28.3986 7.33367 GPRESSAVG: 4899000 -28.6633 -2.94293 -21.959 -3.11118 31.9506 -26.6375 -23.8684 -28.5401 6.51377 TIMING: 4899000 CPU: 15296.1, 0.00309452/step Wall: 15296.1, 0.00309452/step, 0.0868184 hours remaining, 234.710938 MB of memory in use. ENERGY: 4899000 4000.6325 20322.0811 14401.9948 241.9693 -203752.5723 2926.6293 0.0000 0.0000 52182.9259 -109676.3395 299.8960 -161859.2654 -109315.3830 298.5597 51.2106 80.2163 763658.9899 3.2222 3.2670 PRESSURE: 4899200 112.876 65.4088 -111.76 65.4091 -86.0527 -360.112 -111.76 -360.113 29.0081 GPRESSURE: 4899200 95.8626 133.293 -182.036 -54.8589 -5.77446 -423.806 -43.0477 -275.218 44.889 PRESSAVG: 4899200 -7.88871 12.1521 -65.9384 12.1521 39.9288 42.0899 -65.9384 42.0899 -7.56849 GPRESSAVG: 4899200 -10.3107 12.2015 -64.9363 13.528 40.9847 41.2761 -62.9016 38.9603 -5.94932 TIMING: 4899200 CPU: 15296.7, 0.00309903/step Wall: 15296.7, 0.00309903/step, 0.0867729 hours remaining, 234.710938 MB of memory in use. ENERGY: 4899200 4004.1155 20564.8844 14461.0246 247.4509 -203686.7551 2841.4208 0.0000 0.0000 51931.9396 -109635.9194 298.4536 -161567.8590 -109280.0988 298.7063 18.6106 44.9924 761874.2408 8.1572 8.2416 PRESSURE: 4899400 -297.647 -19.45 -56.379 -19.45 197.203 20.0647 -56.3788 20.065 -320.777 GPRESSURE: 4899400 -199.728 -9.9805 -59.4096 -31.6217 102.379 26.7488 -86.6683 104.277 -241.589 PRESSAVG: 4899400 -18.195 6.74843 6.09688 6.74844 10.4088 3.70153 6.09686 3.70149 30.8825 GPRESSAVG: 4899400 -15.4889 5.40313 4.64914 5.92223 8.46354 3.72471 5.12119 5.90272 30.0932 TIMING: 4899400 CPU: 15297.3, 0.00310639/step Wall: 15297.3, 0.00310639/step, 0.0868064 hours remaining, 234.710938 MB of memory in use. ENERGY: 4899400 3943.0985 20382.0726 14397.5546 244.6537 -202932.1146 2464.6363 0.0000 0.0000 51949.8955 -109550.2035 298.5568 -161500.0990 -109184.4754 298.3613 -140.4072 -112.9794 763935.7601 7.6988 7.6893 PRESSURE: 4899600 60.616 -31.3446 104.087 -31.3447 -77.2313 155.187 104.088 155.188 70.1592 GPRESSURE: 4899600 165.881 11.98 84.1417 -90.5135 -31.7478 195.805 234.829 69.1329 4.31393 PRESSAVG: 4899600 -12.0496 25.8838 6.68432 25.8838 -6.9468 -8.3066 6.68435 -8.30664 16.0536 GPRESSAVG: 4899600 -13.0021 26.2619 5.89222 26.7336 -5.92118 -10.4685 8.06406 -7.09122 15.2133 TIMING: 4899600 CPU: 15297.9, 0.00309555/step Wall: 15297.9, 0.00309555/step, 0.0863316 hours remaining, 234.710938 MB of memory in use. ENERGY: 4899600 3968.6941 20452.3257 14410.6614 227.5803 -203290.9679 2915.5515 0.0000 0.0000 52040.1026 -109276.0524 299.0752 -161316.1550 -108906.4696 298.9571 17.8480 46.1492 765515.4775 -0.9809 -1.2367 PRESSURE: 4899800 70.5926 -138.846 51.7818 -138.846 23.8158 179.355 51.7818 179.355 190.526 GPRESSURE: 4899800 89.1367 -168.375 -7.68626 -118.047 93.6427 172.813 39.7142 177.658 195.248 PRESSAVG: 4899800 30.7736 -24.8166 -9.2869 -24.8166 -24.4401 44.3403 -9.28696 44.3403 9.42491 GPRESSAVG: 4899800 30.6375 -25.7047 -8.88386 -23.8725 -23.9592 44.3177 -9.47693 43.2919 9.59064 TIMING: 4899800 CPU: 15298.6, 0.00311367/step Wall: 15298.6, 0.00311367/step, 0.0866639 hours remaining, 234.710938 MB of memory in use. ENERGY: 4899800 3934.5093 20473.7654 14454.3119 245.7287 -203586.1046 3049.2352 0.0000 0.0000 52013.9514 -109414.6026 298.9249 -161428.5540 -109050.0018 298.9749 94.9780 126.0092 762625.7553 5.2528 5.4230 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 4900000 WRITING COORDINATES TO RESTART FILE AT STEP 4900000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4900000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4900000 62.2316 112.397 -131.075 112.397 30.046 141.282 -131.076 141.283 -491.527 GPRESSURE: 4900000 203.921 -72.3561 -50.4582 144.958 -18.9918 149.153 -11.0175 47.3579 -477.808 PRESSAVG: 4900000 51.1199 36.4064 -71.5355 36.4064 -25.3347 6.15979 -71.5355 6.15971 -9.78033 GPRESSAVG: 4900000 50.4239 36.9009 -69.9132 36.4015 -25.436 8.44458 -72.7556 5.12167 -8.73761 TIMING: 4900000 CPU: 15299.3, 0.00349211/step Wall: 15299.3, 0.0034921/step, 0.0970029 hours remaining, 234.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4900000 3987.6619 20579.9242 14423.6877 265.5225 -203468.4486 2826.3361 0.0000 0.0000 51867.6364 -109517.6799 298.0840 -161385.3162 -109154.4729 299.0267 -133.0830 -97.6264 762818.3239 5.3350 5.4168 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4900000 PRESSURE: 4900200 -82.3628 11.7776 -154.654 11.777 -13.2031 -92.3675 -154.653 -92.3672 -64.1875 GPRESSURE: 4900200 -125.839 80.8759 -63.478 59.9054 47.3051 -81.3122 -148.589 -18.915 24.4613 PRESSAVG: 4900200 1.98054 -13.1213 13.5513 -13.1212 20.3534 27.136 13.5512 27.136 -2.43856 GPRESSAVG: 4900200 1.57637 -12.641 12.7629 -13.5077 20.8379 26.2024 12.5603 27.7777 -2.6098 TIMING: 4900200 CPU: 15299.9, 0.00326623/step Wall: 15299.9, 0.00326623/step, 0.0905471 hours remaining, 234.710938 MB of memory in use. ENERGY: 4900200 4027.7881 20450.9244 14474.0301 245.0131 -202843.6286 2303.1572 0.0000 0.0000 51981.2175 -109361.4982 298.7368 -161342.7157 -109002.7372 299.5418 -53.2511 -18.0242 763479.0394 6.6318 6.6015 LDB: ============= START OF LOAD BALANCING ============== 15312.4 LDB: ============== END OF LOAD BALANCING =============== 15312.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15312.4 LDB: ============= START OF LOAD BALANCING ============== 15312.7 LDB: Largest compute 7028 load 0.033441 is 17.1% of average load 0.195313 LDB: Average compute 0.004372 is 2.2% of average load 0.195313 LDB: TIME 15312.7 LOAD: AVG 0.195313 MAX 0.214478 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.262 MB LDB: TIME 15312.7 LOAD: AVG 0.195313 MAX 0.214478 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.262 MB LDB: TIME 15312.7 LOAD: AVG 0.195313 MAX 0.214478 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.262 MB LDB: ============== END OF LOAD BALANCING =============== 15312.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15312.7 PRESSURE: 4900400 89.0494 -41.469 -103.839 -41.4684 51.0991 89.2678 -103.838 89.2687 130.25 GPRESSURE: 4900400 62.046 17.7062 -153.347 -43.8264 146.908 162.521 17.1666 113.015 137.824 PRESSAVG: 4900400 23.4732 51.9421 16.5058 51.9421 4.1517 0.685947 16.5058 0.685998 0.594099 GPRESSAVG: 4900400 24.6777 53.9469 17.1239 51.0855 3.0962 1.47662 17.8331 0.881273 0.577451 TIMING: 4900400 CPU: 15300.5, 0.00317745/step Wall: 15300.5, 0.00317745/step, 0.0879095 hours remaining, 233.750000 MB of memory in use. ENERGY: 4900400 4002.5891 20473.6653 14421.9691 244.2948 -203685.3016 3027.0908 0.0000 0.0000 51887.1543 -109628.5383 298.1962 -161515.6926 -109264.3161 298.9590 90.1327 115.5929 760491.1654 9.4063 9.4504 PRESSURE: 4900600 339.027 111.566 -35.8233 111.566 162.588 -43.1095 -35.8225 -43.1098 -10.9688 GPRESSURE: 4900600 365.629 88.2049 34.4783 37.2978 183.591 -7.18883 85.1316 -76.3551 13.7998 PRESSAVG: 4900600 -3.41176 38.708 -14.8508 38.708 -9.3511 41.1853 -14.8508 41.1853 0.744219 GPRESSAVG: 4900600 -3.44425 36.7055 -12.1539 38.5627 -10.0199 41.2611 -17.0216 41.9436 1.27177 TIMING: 4900600 CPU: 15301.2, 0.00312435/step Wall: 15301.2, 0.00312435/step, 0.0862668 hours remaining, 233.750000 MB of memory in use. ENERGY: 4900600 3910.2343 20476.9329 14448.9683 249.4229 -203537.8402 2997.1669 0.0000 0.0000 52156.3125 -109298.8023 299.7430 -161455.1149 -108935.9545 298.8339 163.5487 187.6731 762354.2231 -4.0062 -4.0641 PRESSURE: 4900800 11.7966 -81.3414 36.9173 -81.3415 53.0519 162.58 36.918 162.58 518.912 GPRESSURE: 4900800 69.496 -37.171 96.8218 -51.8524 -54.1902 217.394 50.3535 -34.9632 652.324 PRESSAVG: 4900800 -59.979 -23.0007 -57.9799 -23.0007 24.2611 6.67353 -57.9799 6.67363 12.6633 GPRESSAVG: 4900800 -60.5733 -23.3729 -62.2635 -22.6359 25.1854 7.31683 -55.7508 4.12214 12.8652 TIMING: 4900800 CPU: 15301.8, 0.00312945/step Wall: 15301.8, 0.00312945/step, 0.0862338 hours remaining, 233.750000 MB of memory in use. ENERGY: 4900800 3904.2495 20373.6187 14422.3262 244.0979 -202848.5858 2631.2079 0.0000 0.0000 52138.9056 -109134.1800 299.6430 -161273.0856 -108764.1684 299.2751 194.5870 222.5431 764314.8470 -7.6849 -7.5076 PRESSURE: 4901000 -60.7815 -220.679 -244.198 -220.678 -70.5798 -187.772 -244.199 -187.772 188.411 GPRESSURE: 4901000 -130.722 -205.37 -286.982 -264.586 134.844 -138.084 -209.697 -221.485 129.441 PRESSAVG: 4901000 -40.4147 -13.5335 -14.8438 -13.5334 13.2957 -8.78581 -14.8438 -8.78574 -28.3043 GPRESSAVG: 4901000 -40.8517 -12.6574 -13.8076 -11.9702 15.1251 -8.74488 -15.1968 -6.9672 -29.4192 TIMING: 4901000 CPU: 15302.4, 0.00313498/step Wall: 15302.4, 0.00313498/step, 0.086212 hours remaining, 233.738281 MB of memory in use. ENERGY: 4901000 3929.2007 20539.4576 14444.3074 248.6381 -203139.0774 2926.2882 0.0000 0.0000 51628.8285 -109422.3569 296.7116 -161051.1854 -109070.7195 298.8985 19.0167 44.5211 765670.8356 -18.4744 -18.3820 PRESSURE: 4901200 324.282 13.8604 1.59403 13.8605 13.9829 164.752 1.59363 164.754 233.067 GPRESSURE: 4901200 275.439 -15.162 -107.945 -55.2867 165.571 181.947 -10.0223 99.7906 219.915 PRESSAVG: 4901200 -3.79896 -24.1527 -70.7055 -24.1526 22.0297 -24.7659 -70.7056 -24.7659 17.7095 GPRESSAVG: 4901200 -2.90819 -24.6855 -69.154 -25.5772 20.1111 -25.5261 -70.9989 -25.5785 18.4682 TIMING: 4901200 CPU: 15303, 0.00311711/step Wall: 15303, 0.00311711/step, 0.0855473 hours remaining, 233.738281 MB of memory in use. ENERGY: 4901200 3984.6461 20335.0602 14394.2177 255.7796 -203442.5232 2843.3230 0.0000 0.0000 52147.1140 -109482.3827 299.6902 -161629.4967 -109131.8165 298.2740 190.4437 220.3085 763190.9804 11.9801 11.8904 PRESSURE: 4901400 -276.193 -89.2469 -80.0576 -89.2468 -442.674 -328.806 -80.0583 -328.806 -419.94 GPRESSURE: 4901400 -266.611 -89.2522 -65.0371 -23.9664 -421.467 -302.057 -90.0184 -277.142 -368.523 PRESSAVG: 4901400 -14.8213 47.766 -33.0917 47.766 5.52357 32.362 -33.0917 32.3619 14.2542 GPRESSAVG: 4901400 -15.4628 46.8327 -34.1643 47.6297 7.30186 31.4902 -33.9444 33.8218 13.247 TIMING: 4901400 CPU: 15303.7, 0.00310825/step Wall: 15303.7, 0.00310825/step, 0.0851315 hours remaining, 233.738281 MB of memory in use. ENERGY: 4901400 4070.7620 20495.8974 14431.4022 267.1179 -203277.3585 2669.8603 0.0000 0.0000 51811.7775 -109530.5411 297.7630 -161342.3186 -109171.9954 298.3428 -379.6020 -352.2000 763269.3554 1.6521 1.6953 PRESSURE: 4901600 -54.1806 -124.805 -216.48 -124.804 50.6567 28.9889 -216.48 28.9878 -361.55 GPRESSURE: 4901600 35.123 -34.8426 -194.126 -105.688 48.4886 1.0343 -104.438 140.063 -336.575 PRESSAVG: 4901600 -4.89728 11.0154 -1.65782 11.0153 28.4146 -16.3037 -1.65779 -16.3038 -17.3577 GPRESSAVG: 4901600 -3.82454 11.8077 -1.34665 12.7216 26.0778 -16.6169 2.21912 -16.0518 -15.9173 TIMING: 4901600 CPU: 15304.3, 0.00311881/step Wall: 15304.3, 0.00311881/step, 0.0852476 hours remaining, 233.738281 MB of memory in use. ENERGY: 4901600 4010.9096 20522.7206 14483.4552 245.2759 -203493.5089 2844.6386 0.0000 0.0000 51871.5171 -109514.9919 298.1063 -161386.5089 -109148.6885 298.1639 -121.6914 -84.3210 762679.8079 2.0532 2.1120 PRESSURE: 4901800 -154.305 25.2867 -35.941 25.2868 -369.171 -98.5947 -35.9412 -98.5949 53.7118 GPRESSURE: 4901800 -84.5284 12.4217 -17.6445 18.4824 -339.684 -94.2596 -117.87 -117.957 56.9763 PRESSAVG: 4901800 2.97258 -13.9023 -21.347 -13.9024 3.53418 -21.8097 -21.3469 -21.8096 -15.5562 GPRESSAVG: 4901800 3.64979 -12.7975 -20.4885 -16.433 3.5979 -20.5811 -25.4277 -23.9248 -16.7897 TIMING: 4901800 CPU: 15304.9, 0.00312236/step Wall: 15304.9, 0.00312236/step, 0.085171 hours remaining, 233.738281 MB of memory in use. ENERGY: 4901800 4008.2424 20405.1865 14438.0451 254.2754 -203004.4392 2474.0796 0.0000 0.0000 51880.1473 -109544.4628 298.1559 -161424.6102 -109191.6623 298.8037 -156.5882 -122.4122 763481.5780 -3.0165 -3.1807 PRESSURE: 4902000 427.553 -41.5958 -59.7873 -41.5951 27.2451 -96.0993 -59.7869 -96.1003 426.097 GPRESSURE: 4902000 481.909 113.605 -8.7106 -133.311 43.1471 -115.669 27.8767 -177.262 419.883 PRESSAVG: 4902000 83.7271 -8.6345 9.41913 -8.63449 -71.1595 -50.7515 9.41912 -50.7515 -24.1287 GPRESSAVG: 4902000 82.2919 -9.7418 8.62387 -8.02033 -69.9638 -50.629 12.0261 -51.2376 -23.7151 TIMING: 4902000 CPU: 15305.5, 0.00311239/step Wall: 15305.5, 0.00311239/step, 0.0847261 hours remaining, 233.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4902000 3914.5956 20447.4709 14386.2602 241.7461 -203101.3564 2709.2180 0.0000 0.0000 51937.1170 -109464.9486 298.4833 -161402.0656 -109098.9620 298.7001 293.6315 314.9797 762728.6607 -3.8537 -3.7956 PRESSURE: 4902200 34.3621 -128.803 -123.119 -128.804 -41.3918 -255.334 -123.118 -255.335 -41.6456 GPRESSURE: 4902200 46.3061 -44.9702 -118.122 -20.5776 13.264 -350.34 -90.4516 -31.1383 -29.5642 PRESSAVG: 4902200 44.0053 -27.634 35.5969 -27.6339 -18.3963 -97.4284 35.597 -97.4284 -11.5508 GPRESSAVG: 4902200 45.1587 -27.6064 33.9508 -27.8824 -19.8094 -98.0321 35.855 -95.4038 -11.2414 TIMING: 4902200 CPU: 15306.2, 0.00311249/step Wall: 15306.2, 0.00311249/step, 0.0845559 hours remaining, 233.750000 MB of memory in use. ENERGY: 4902200 4014.9310 20558.3827 14380.7674 254.8822 -202948.0823 2503.9521 0.0000 0.0000 51846.8072 -109388.3598 297.9643 -161235.1670 -109026.9920 298.9001 -16.2251 10.0020 761391.8108 4.6861 4.7026 PRESSURE: 4902400 133.942 135.987 -55.7465 135.986 39.871 248.459 -55.7475 248.459 235.571 GPRESSURE: 4902400 174.184 63.1269 -45.6472 37.965 89.8186 251.486 -127.692 195.452 230.41 PRESSAVG: 4902400 6.18267 -2.76855 17.2458 -2.7686 -8.30323 -37.6848 17.2457 -37.6847 11.1673 GPRESSAVG: 4902400 4.55317 -1.63451 18.2409 -1.77226 -7.0383 -38.7649 15.3864 -38.0335 11.9227 TIMING: 4902400 CPU: 15306.8, 0.00312766/step Wall: 15306.8, 0.00312766/step, 0.0847943 hours remaining, 233.750000 MB of memory in use. ENERGY: 4902400 3999.3174 20442.2503 14481.4210 235.1952 -203432.7594 2735.9781 0.0000 0.0000 51946.1848 -109592.4126 298.5354 -161538.5974 -109228.0146 298.8112 136.4613 164.8042 761372.3597 3.0156 3.1459 PRESSURE: 4902600 65.3917 -104.811 238.621 -104.811 -155.356 -95.9961 238.621 -95.9961 770.333 GPRESSURE: 4902600 98.8424 -150.951 232.674 3.00465 -50.3983 -74.0199 173.941 -33.4154 711.482 PRESSAVG: 4902600 26.5354 31.6936 -44.1734 31.6936 17.2516 -9.3545 -44.1734 -9.35443 -2.93093 GPRESSAVG: 4902600 26.9253 30.6614 -42.8102 31.1577 16.9528 -8.71031 -46.0211 -8.49039 -3.84203 TIMING: 4902600 CPU: 15307.4, 0.00310737/step Wall: 15307.4, 0.00310737/step, 0.0840716 hours remaining, 233.750000 MB of memory in use. ENERGY: 4902600 3985.2862 20545.7126 14363.6102 256.2017 -203522.8812 2786.0294 0.0000 0.0000 51949.3043 -109636.7367 298.5534 -161586.0410 -109290.5735 298.4294 226.7897 253.3087 762080.1030 13.6187 13.3453 PRESSURE: 4902800 41.5901 -38.3195 -150.048 -38.3204 26.2531 175.73 -150.047 175.73 -257.038 GPRESSURE: 4902800 53.9876 -39.5308 -124.635 -52.3753 69.8955 124.613 -276.156 108.258 -255.22 PRESSAVG: 4902800 -21.5261 -31.4463 -15.0761 -31.4462 33.1477 28.1788 -15.0761 28.1787 8.12299 GPRESSAVG: 4902800 -20.8339 -30.1186 -15.6132 -29.7879 32.5955 28.8736 -11.8056 27.2274 8.23898 TIMING: 4902800 CPU: 15308, 0.00310671/step Wall: 15308, 0.00310671/step, 0.0838813 hours remaining, 233.750000 MB of memory in use. ENERGY: 4902800 4020.6338 20435.5641 14426.0874 234.7136 -203312.3378 2636.8873 0.0000 0.0000 51993.6836 -109564.7680 298.8084 -161558.4516 -109198.0128 298.3547 -63.0648 -43.7790 764128.9748 6.5815 6.6669 PRESSURE: 4903000 -107.153 -103.421 -93.6664 -103.421 -229.045 -172.805 -93.6658 -172.805 -197.186 GPRESSURE: 4903000 -65.5202 -118.557 -23.5974 -100.159 -212.371 -70.435 -96.8815 -155.898 -183.243 PRESSAVG: 4903000 11.5116 16.3377 -13.6834 16.3377 9.74634 18.6249 -13.6834 18.6249 -16.8696 GPRESSAVG: 4903000 10.823 15.3239 -15.0458 15.9336 9.7567 17.2747 -13.7809 18.588 -16.8114 TIMING: 4903000 CPU: 15308.6, 0.00310702/step Wall: 15308.6, 0.00310702/step, 0.083717 hours remaining, 233.750000 MB of memory in use. ENERGY: 4903000 3994.2487 20486.2054 14396.4827 250.6088 -203464.1299 2693.0921 0.0000 0.0000 51971.7088 -109671.7833 298.6821 -161643.4921 -109314.7582 298.3754 -177.7948 -153.7112 764079.0243 1.4628 1.2561 PRESSURE: 4903200 130.228 -53.3252 309.109 -53.325 163.166 -21.2933 309.109 -21.294 436.021 GPRESSURE: 4903200 165.725 83.2359 269.071 -47.8496 205.661 121.177 214.347 15.0168 452.616 PRESSAVG: 4903200 -3.95681 8.93288 13.9161 8.93293 18.519 -20.7827 13.916 -20.7826 -3.38377 GPRESSAVG: 4903200 -4.87337 10.4904 14.0747 7.40207 20.0783 -19.7796 14.4603 -19.3306 -4.05101 TIMING: 4903200 CPU: 15309.3, 0.00310632/step Wall: 15309.3, 0.00310632/step, 0.0835255 hours remaining, 233.750000 MB of memory in use. ENERGY: 4903200 3943.9794 20265.1062 14494.6607 249.0269 -203494.6604 2767.2791 0.0000 0.0000 52038.3747 -109736.2333 299.0653 -161774.6080 -109369.4474 298.3701 243.1383 274.6673 762050.3414 3.7261 3.7180 PRESSURE: 4903400 -120.265 -23.1307 -235.015 -23.1309 -81.5216 8.16836 -235.014 8.16949 -194.722 GPRESSURE: 4903400 -175.728 80.1989 -178.23 9.74604 52.933 -42.6701 -158.15 25.6829 -203.658 PRESSAVG: 4903400 -64.2575 7.53059 -40.44 7.53061 60.8302 0.966479 -40.4399 0.966498 14.2626 GPRESSAVG: 4903400 -63.5195 5.52807 -40.3038 9.89052 60.139 2.96145 -39.5635 -2.45035 14.5806 TIMING: 4903400 CPU: 15309.9, 0.00311136/step Wall: 15309.9, 0.00311136/step, 0.0834882 hours remaining, 233.750000 MB of memory in use. ENERGY: 4903400 3958.0997 20354.0357 14455.1548 238.8965 -203288.6235 2499.5544 0.0000 0.0000 52125.6065 -109657.2757 299.5666 -161782.8822 -109278.8475 298.5120 -132.1698 -108.8177 761995.4709 3.6118 3.7334 PRESSURE: 4903600 75.0091 31.4699 160.984 31.47 -273.401 156.422 160.984 156.422 350.575 GPRESSURE: 4903600 21.4616 53.332 258.726 75.707 -153.696 185.246 76.0255 97.7693 340.806 PRESSAVG: 4903600 -54.3735 -8.83127 18.8831 -8.83115 53.7929 11.0953 18.8831 11.0954 12.8938 GPRESSAVG: 4903600 -53.2067 -8.4958 20.1552 -10.6981 53.5029 8.82412 14.8394 13.0931 12.1447 TIMING: 4903600 CPU: 15310.5, 0.00311642/step Wall: 15310.5, 0.00311642/step, 0.0834507 hours remaining, 233.750000 MB of memory in use. ENERGY: 4903600 3993.0163 20421.7721 14451.5762 256.3392 -203722.3533 2913.8033 0.0000 0.0000 52001.3273 -109684.5189 298.8523 -161685.8462 -109317.7416 298.2335 50.7278 69.5239 761340.3053 4.1044 4.1470 PRESSURE: 4903800 40.6572 140.232 96.2988 140.232 76.3653 107.196 96.2992 107.195 207.866 GPRESSURE: 4903800 49.7916 31.2288 212.079 110.817 175.992 -27.0158 71.9213 163.862 187.909 PRESSAVG: 4903800 -24.2204 -4.91873 31.5835 -4.91877 -11.839 -11.341 31.5835 -11.341 4.4021 GPRESSAVG: 4903800 -23.8695 -3.88765 31.375 -5.05243 -11.8485 -9.96242 32.8361 -12.5251 4.22247 TIMING: 4903800 CPU: 15311.1, 0.00309364/step Wall: 15311.1, 0.00309364/step, 0.0826689 hours remaining, 233.750000 MB of memory in use. ENERGY: 4903800 3941.2841 20204.5993 14380.7681 244.8564 -203605.7961 2628.8195 0.0000 0.0000 52329.9614 -109875.5073 300.7410 -162205.4687 -109509.0791 297.8341 108.2960 137.8974 762635.6930 -10.5524 -10.4985 PRESSURE: 4904000 -312.799 -136.871 429.348 -136.871 109.936 -71.2396 429.349 -71.2401 227.525 GPRESSURE: 4904000 -276.835 -157.409 386.575 -33.1464 155.672 -122.355 251.932 -27.7778 240.084 PRESSAVG: 4904000 -34.1039 12.9968 -38.2394 12.9968 57.5203 -1.02623 -38.2394 -1.02621 -8.43159 GPRESSAVG: 4904000 -34.4786 10.1455 -38.2401 14.457 56.5557 -1.22501 -37.8677 -0.630976 -7.20215 TIMING: 4904000 CPU: 15311.8, 0.00309936/step Wall: 15311.8, 0.00309936/step, 0.0826495 hours remaining, 233.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4904000 4072.8921 20532.6311 14339.7340 240.7044 -203570.4774 2822.4043 0.0000 0.0000 51890.4445 -109671.6670 298.2151 -161562.1114 -109316.3483 297.9524 8.2204 39.6403 762192.3548 4.9949 4.9583 PRESSURE: 4904200 -38.0661 -11.1023 -64.3881 -11.1029 -242.207 208.193 -64.3878 208.194 2.07543 GPRESSURE: 4904200 -32.6269 -36.3968 -182.631 -4.27478 -209.236 181.947 -30.1504 85.1252 32.6002 PRESSAVG: 4904200 -15.5952 -6.84261 13.8936 -6.84255 -13.1838 66.3063 13.8935 66.3062 -7.19166 GPRESSAVG: 4904200 -16.0456 -6.51639 13.5696 -6.47636 -12.6028 65.5742 13.2643 65.8231 -6.9031 TIMING: 4904200 CPU: 15312.4, 0.0030983/step Wall: 15312.4, 0.0030983/step, 0.0824493 hours remaining, 233.750000 MB of memory in use. ENERGY: 4904200 3988.1609 20496.0299 14371.6002 248.2617 -203541.0076 2802.2955 0.0000 0.0000 51896.8406 -109737.8189 298.2519 -161634.6594 -109387.2890 298.1691 -92.7326 -69.7542 763040.1005 -11.9902 -11.8505 LDB: ============= START OF LOAD BALANCING ============== 15324.9 LDB: ============== END OF LOAD BALANCING =============== 15324.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15324.9 LDB: ============= START OF LOAD BALANCING ============== 15325.2 LDB: Largest compute 7031 load 0.033953 is 17.4% of average load 0.195311 LDB: Average compute 0.004384 is 2.2% of average load 0.195311 LDB: TIME 15325.2 LOAD: AVG 0.195311 MAX 0.215774 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.801 MB LDB: TIME 15325.2 LOAD: AVG 0.195311 MAX 0.215774 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.027 MB LDB: TIME 15325.2 LOAD: AVG 0.195311 MAX 0.215774 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.027 MB LDB: ============== END OF LOAD BALANCING =============== 15325.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15325.2 PRESSURE: 4904400 90.688 -175.171 -252.361 -175.171 -189.136 12.9973 -252.362 12.9962 202.23 GPRESSURE: 4904400 157.241 -122.021 -259.325 -118.761 -152.065 45.9588 -260.041 15.4936 186.335 PRESSAVG: 4904400 63.6831 -16.3865 -13.7481 -16.3865 -1.05627 -15.2047 -13.7481 -15.2047 14.9626 GPRESSAVG: 4904400 63.7391 -14.9949 -13.6989 -17.4411 -1.4905 -14.9749 -14.7025 -14.0925 15.1621 TIMING: 4904400 CPU: 15313, 0.00316987/step Wall: 15313, 0.00316987/step, 0.0841776 hours remaining, 234.250000 MB of memory in use. ENERGY: 4904400 4001.3750 20432.0964 14440.7442 255.3364 -203206.3364 2847.1981 0.0000 0.0000 51693.3060 -109536.2803 297.0821 -161229.5864 -109189.1495 298.3934 34.5940 63.8370 764551.8836 25.8632 25.8035 PRESSURE: 4904600 -139.258 -22.149 8.52503 -22.1491 246.531 -244.484 8.52538 -244.483 196.884 GPRESSURE: 4904600 -57.3972 109.926 -0.292137 36.6566 277.999 -303.027 79.7284 -181.985 188.475 PRESSAVG: 4904600 -46.2619 -0.277202 -21.9993 -0.27723 55.8042 -7.25783 -21.9993 -7.25783 0.586204 GPRESSAVG: 4904600 -46.7526 0.088047 -21.0394 0.751316 55.5223 -8.05703 -19.8136 -5.89442 1.22339 TIMING: 4904600 CPU: 15313.6, 0.00308466/step Wall: 15313.6, 0.00308466/step, 0.0817435 hours remaining, 234.250000 MB of memory in use. ENERGY: 4904600 3998.6060 20438.6600 14505.7946 238.3738 -203214.4706 2765.3091 0.0000 0.0000 51824.1047 -109443.6224 297.8338 -161267.7271 -109089.3216 298.1802 101.3858 136.3590 763606.6373 3.3762 3.3310 PRESSURE: 4904800 -88.0134 -61.5552 130.632 -61.5558 69.0099 -246.832 130.632 -246.833 14.7549 GPRESSURE: 4904800 10.0537 -71.792 142.699 -6.25888 26.0952 -271.616 191.774 -192.339 29.1955 PRESSAVG: 4904800 -14.724 -50.5872 40.609 -50.5872 56.8462 -28.9615 40.609 -28.9614 18.1159 GPRESSAVG: 4904800 -13.9461 -50.004 40.0794 -51.4172 57.7033 -30.5834 40.2296 -29.1213 16.3288 TIMING: 4904800 CPU: 15314.2, 0.00309057/step Wall: 15314.2, 0.00309057/step, 0.0817283 hours remaining, 234.320312 MB of memory in use. ENERGY: 4904800 4032.2284 20443.9484 14469.3485 231.2444 -203003.3488 2552.8272 0.0000 0.0000 51979.5544 -109294.1974 298.7272 -161273.7518 -108941.2479 298.4558 -1.4162 21.7815 761927.2700 20.0794 20.0287 PRESSURE: 4905000 -291.097 15.6025 9.84096 15.6031 350.029 176.614 9.84032 176.613 -231.66 GPRESSURE: 4905000 -226.022 0.830733 58.1877 42.5366 361.352 202.897 -52.705 46.082 -231.429 PRESSAVG: 4905000 -25.5471 -2.2039 -17.1168 -2.20393 38.7604 -24.2006 -17.1168 -24.2006 8.72094 GPRESSAVG: 4905000 -26.2372 -3.9474 -17.1028 -2.51486 36.9849 -21.6411 -18.2479 -24.3521 10.6355 TIMING: 4905000 CPU: 15314.9, 0.00309782/step Wall: 15314.9, 0.00309782/step, 0.0817479 hours remaining, 234.320312 MB of memory in use. ENERGY: 4905000 4028.6500 20540.1329 14442.0727 245.9518 -203163.9176 2751.7080 0.0000 0.0000 51956.5744 -109198.8278 298.5951 -161155.4022 -108840.1690 299.2383 -57.5760 -32.0330 764125.3017 7.3114 7.1277 PRESSURE: 4905200 -44.2905 -210.301 -238.751 -210.3 -112.65 -48.7258 -238.752 -48.7274 139.413 GPRESSURE: 4905200 13.4346 42.7482 -310.139 -230.369 -69.3091 -55.2449 -191.215 -102.876 117.653 PRESSAVG: 4905200 -28.0226 23.1134 -1.03487 23.1134 10.8605 33.2085 -1.03488 33.2084 23.8238 GPRESSAVG: 4905200 -28.383 24.9586 0.0564597 22.9106 12.8148 32.7102 -2.49569 31.1872 22.5174 TIMING: 4905200 CPU: 15315.5, 0.00310155/step Wall: 15315.5, 0.00310155/step, 0.081674 hours remaining, 234.320312 MB of memory in use. ENERGY: 4905200 3924.2185 20501.8177 14387.0018 256.1052 -203049.2512 2692.5484 0.0000 0.0000 52002.1619 -109285.3978 298.8571 -161287.5597 -108917.0827 299.1835 -5.8425 20.5930 762561.1339 2.2206 2.3164 PRESSURE: 4905400 -33.3976 185.412 186.866 185.413 -49.3588 84.2032 186.866 84.2035 15.2635 GPRESSURE: 4905400 4.99063 175.095 170.001 127.208 -28.4857 -68.124 217.369 221.615 52.3511 PRESSAVG: 4905400 -54.0563 -27.3762 13.154 -27.3763 47.5733 -13.8159 13.154 -13.8159 -18.4813 GPRESSAVG: 4905400 -53.7446 -29.4269 11.8711 -26.9184 46.7338 -13.9153 15.1482 -11.7696 -17.6046 TIMING: 4905400 CPU: 15316.1, 0.0031264/step Wall: 15316.1, 0.0031264/step, 0.0821548 hours remaining, 234.320312 MB of memory in use. ENERGY: 4905400 3890.6778 20527.4127 14367.0392 244.0424 -202991.6882 2577.4197 0.0000 0.0000 52012.5841 -109372.5123 298.9170 -161385.0964 -109005.1870 298.7360 -22.4976 9.6187 764540.0803 -8.3214 -8.2051 PRESSURE: 4905600 -194.938 -266.121 238.15 -266.121 -143.841 -123.266 238.151 -123.265 26.6335 GPRESSURE: 4905600 -161.038 -143.667 251.758 -280.556 -82.1298 -41.731 160.603 -157.947 -1.7823 PRESSAVG: 4905600 -12.8463 18.6633 98.054 18.6633 20.8652 -9.08271 98.054 -9.08277 -3.81406 GPRESSAVG: 4905600 -12.8674 19.6175 100.455 16.9618 20.6936 -9.76412 95.754 -9.55648 -3.85272 TIMING: 4905600 CPU: 15316.7, 0.00310601/step Wall: 15316.7, 0.00310601/step, 0.0814464 hours remaining, 234.320312 MB of memory in use. ENERGY: 4905600 4047.2077 20417.3797 14469.7567 262.1758 -203097.5877 2680.7227 0.0000 0.0000 52050.9445 -109169.4007 299.1375 -161220.3452 -108796.2478 298.9613 -104.0488 -81.6499 762566.5084 1.4016 1.3245 PRESSURE: 4905800 -76.304 84.4549 103.193 84.4552 82.8556 -89.8807 103.192 -89.881 389.324 GPRESSURE: 4905800 20.8573 65.5663 105.254 265.069 113.177 -5.00801 120.057 -122.904 340.913 PRESSAVG: 4905800 43.1124 -13.9091 23.2949 -13.909 -31.3675 9.94261 23.2949 9.94267 -7.06576 GPRESSAVG: 4905800 42.8327 -14.9241 21.7772 -13.0447 -30.4907 9.68391 25.1886 9.99966 -7.19515 TIMING: 4905800 CPU: 15317.3, 0.00310118/step Wall: 15317.3, 0.00310118/step, 0.0811476 hours remaining, 234.386719 MB of memory in use. ENERGY: 4905800 4043.3467 20553.8381 14490.6828 245.2749 -203210.8087 2546.2983 0.0000 0.0000 51971.0904 -109360.2774 298.6786 -161331.3678 -109002.8613 299.1112 131.9584 158.3158 761525.0707 1.5597 1.7156 PRESSURE: 4906000 79.6863 -72.1997 -177.797 -72.1996 -10.0999 -125.347 -177.797 -125.347 165.307 GPRESSURE: 4906000 135.077 -29.1702 -219.343 -145.635 34.4413 -250.686 -25.4747 -133.297 161.107 PRESSAVG: 4906000 -21.8954 -30.7273 8.72289 -30.7272 36.1832 -31.336 8.72285 -31.336 3.37243 GPRESSAVG: 4906000 -19.8296 -28.7201 8.60492 -31.7108 34.6235 -30.7579 9.27508 -31.6882 2.99921 TIMING: 4906000 CPU: 15318, 0.00311117/step Wall: 15318, 0.00311117/step, 0.081236 hours remaining, 234.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4906000 4081.5542 20528.0480 14445.9308 235.8663 -203334.1213 2762.9734 0.0000 0.0000 51969.9182 -109309.8304 298.6718 -161279.7486 -108957.0621 299.1550 78.2977 110.2085 762854.0008 5.8867 5.9310 PRESSURE: 4906200 8.61546 -111.472 -123.398 -111.472 38.797 -270.963 -123.397 -270.963 250.702 GPRESSURE: 4906200 0.776698 -154.869 -130.256 -40.5602 130.258 -190.479 -97.5224 -204.338 239.99 PRESSAVG: 4906200 -6.06004 12.6053 17.3641 12.6054 -37.2149 0.576151 17.3641 0.576116 -20.016 GPRESSAVG: 4906200 -6.98337 10.7852 16.1863 13.8078 -37.1911 1.49433 16.841 0.103286 -19.343 TIMING: 4906200 CPU: 15318.6, 0.00309944/step Wall: 15318.6, 0.00309944/step, 0.0807576 hours remaining, 234.386719 MB of memory in use. ENERGY: 4906200 4004.7415 20425.4432 14420.7119 261.1617 -203368.6548 3013.8788 0.0000 0.0000 52005.6192 -109237.0985 298.8770 -161242.7177 -108871.6977 299.0206 99.3714 123.6749 763597.5527 -21.0970 -21.1725 PRESSURE: 4906400 -40.6005 191.969 258.742 191.97 188.451 62.0393 258.741 62.0412 189.647 GPRESSURE: 4906400 -27.4719 77.9425 354.638 174.308 255.925 76.686 262.415 -57.4155 190.956 PRESSAVG: 4906400 -8.5987 8.87972 20.7398 8.87973 -29.9049 34.6368 20.7398 34.6368 4.6986 GPRESSAVG: 4906400 -8.87273 10.2279 22.079 9.81153 -29.5197 34.992 19.6764 34.76 4.80815 TIMING: 4906400 CPU: 15319.2, 0.00309727/step Wall: 15319.2, 0.00309727/step, 0.080529 hours remaining, 234.386719 MB of memory in use. ENERGY: 4906400 4025.7997 20553.9613 14504.4422 260.8508 -203472.6610 2632.2454 0.0000 0.0000 52068.3984 -109426.9631 299.2378 -161495.3615 -109073.8869 299.3181 112.4994 139.8030 763216.2987 -11.2683 -11.1948 PRESSURE: 4906600 16.6086 -0.0728499 -108.003 -0.0732859 265.778 -175.413 -108.003 -175.413 -219.902 GPRESSURE: 4906600 91.0088 -46.2012 -81.416 -59.6942 202.795 -166.367 7.10685 -193.298 -177.289 PRESSAVG: 4906600 -5.01228 -0.0962103 -11.4259 -0.0962167 -17.0454 -7.32665 -11.4259 -7.3267 -16.5948 GPRESSAVG: 4906600 -5.20386 -4.2557 -13.3328 -1.76138 -15.8455 -7.07314 -7.68824 -7.05813 -17.5152 TIMING: 4906600 CPU: 15319.8, 0.00310998/step Wall: 15319.8, 0.00310998/step, 0.0806866 hours remaining, 234.386719 MB of memory in use. ENERGY: 4906600 3918.8044 20483.3323 14443.1317 219.4301 -203240.5699 2528.7270 0.0000 0.0000 52206.1877 -109440.9567 300.0297 -161647.1444 -109079.7459 298.4740 20.8283 38.8385 762775.0586 -12.8842 -12.8548 PRESSURE: 4906800 -35.1585 -76.1008 206.469 -76.1016 -238.783 -73.0761 206.469 -73.0753 -44.9657 GPRESSURE: 4906800 -19.8292 -57.3454 133.258 15.0402 -214.541 -76.86 183.068 -5.51442 -3.92456 PRESSAVG: 4906800 -10.0504 -26.716 -3.13675 -26.7161 7.97028 -38.5528 -3.13673 -38.5527 5.96102 GPRESSAVG: 4906800 -9.01794 -23.5829 -2.68356 -27.5655 5.9756 -38.2008 -5.58466 -38.4669 6.45938 TIMING: 4906800 CPU: 15320.5, 0.0030995/step Wall: 15320.5, 0.0030995/step, 0.0802425 hours remaining, 234.386719 MB of memory in use. ENERGY: 4906800 4020.0186 20450.2846 14402.8532 242.2618 -203014.5533 2594.9189 0.0000 0.0000 51897.0610 -109407.1552 298.2531 -161304.2163 -109047.2885 298.3819 -106.3023 -79.4315 764831.3998 1.2936 1.1390 PRESSURE: 4907000 -237.335 7.96443 -166.232 7.9641 -380.531 41.5469 -166.232 41.547 80.9878 GPRESSURE: 4907000 -187.992 85.5042 -184.785 55.1115 -345.637 5.27951 -100.886 -63.4879 66.9407 PRESSAVG: 4907000 -0.148894 3.64252 -0.429372 3.64256 -21.5905 10.1356 -0.429408 10.1357 -8.83015 GPRESSAVG: 4907000 -0.893946 4.7956 -0.558177 6.3504 -20.1244 7.791 -0.737401 11.2254 -9.52996 TIMING: 4907000 CPU: 15321.1, 0.00310322/step Wall: 15321.1, 0.00310322/step, 0.0801666 hours remaining, 234.386719 MB of memory in use. ENERGY: 4907000 3992.8285 20511.8242 14540.5160 235.0918 -203324.3014 2778.7323 0.0000 0.0000 52016.4224 -109248.8862 298.9391 -161265.3086 -108889.7681 298.9090 -178.9593 -155.5628 764168.9793 -10.1898 -10.1828 PRESSURE: 4907200 20.7872 12.264 32.8754 12.264 227.796 -43.1116 32.8741 -43.1121 244.856 GPRESSURE: 4907200 93.2688 15.0374 -82.0021 -60.4124 189.615 -36.0636 -32.6129 -21.668 281.146 PRESSAVG: 4907200 35.6802 -14.1152 2.01381 -14.1153 -15.7143 15.235 2.01377 15.2351 -16.1308 GPRESSAVG: 4907200 35.6995 -14.7124 1.57484 -16.3423 -16.5568 17.3662 3.18286 13.2322 -15.3911 TIMING: 4907200 CPU: 15321.7, 0.00309862/step Wall: 15321.7, 0.00309862/step, 0.0798756 hours remaining, 234.386719 MB of memory in use. ENERGY: 4907200 3989.1860 20593.3388 14385.5448 255.6061 -202922.9425 2617.3347 0.0000 0.0000 51867.2660 -109214.6661 298.0819 -161081.9321 -108856.2011 299.3434 164.4799 188.0099 763057.3849 1.2784 1.2506 PRESSURE: 4907400 66.129 -52.1496 4.95329 -52.1507 -38.2955 -102.992 4.95309 -102.991 56.148 GPRESSURE: 4907400 88.0308 -94.6122 30.5287 21.3693 -3.34885 -106.63 -15.5423 -97.8892 79.7017 PRESSAVG: 4907400 14.6946 -56.1669 -11.8248 -56.1669 12.0183 6.0548 -11.8248 6.05488 5.0329 GPRESSAVG: 4907400 13.9807 -56.1103 -10.9017 -54.7336 12.4599 4.59421 -12.6483 8.59149 5.62942 TIMING: 4907400 CPU: 15322.3, 0.0031024/step Wall: 15322.3, 0.0031024/step, 0.0798007 hours remaining, 234.386719 MB of memory in use. ENERGY: 4907400 3950.6133 20568.5218 14429.8288 263.1489 -203086.4887 2611.9142 0.0000 0.0000 51861.2654 -109401.1962 298.0474 -161262.4615 -109051.0337 299.0307 27.9938 54.7946 761266.4487 10.5819 10.6900 PRESSURE: 4907600 -207.848 178.516 311.823 178.515 58.823 103.599 311.822 103.599 214.076 GPRESSURE: 4907600 -184.899 171.118 189.512 104.253 60.675 109.672 322.491 216.332 259.009 PRESSAVG: 4907600 -28.6187 -28.5444 33.9744 -28.5444 -8.39453 -7.84042 33.9744 -7.84035 31.8003 GPRESSAVG: 4907600 -28.6319 -30.7411 33.4336 -27.2693 -7.34912 -8.59495 33.5572 -8.52295 30.8232 TIMING: 4907600 CPU: 15322.9, 0.00309519/step Wall: 15322.9, 0.00309519/step, 0.0794432 hours remaining, 234.386719 MB of memory in use. ENERGY: 4907600 3923.3562 20501.2953 14474.0265 251.1002 -202709.5496 2346.8227 0.0000 0.0000 51818.4027 -109394.5459 297.8011 -161212.9486 -109033.6274 298.4772 21.6834 44.9282 762317.9482 -1.7376 -1.7193 PRESSURE: 4907800 -113.405 180.888 -82.2784 180.888 31.7207 318.724 -82.2789 318.724 -67.8405 GPRESSURE: 4907800 -163.99 212.388 -99.6229 190.952 107.447 352.003 -45.8858 165.8 2.82039 PRESSAVG: 4907800 -14.8205 9.94286 -17.2844 9.94283 43.6581 43.8244 -17.2843 43.8245 8.9927 GPRESSAVG: 4907800 -14.9722 9.19579 -15.4467 10.33 42.3623 44.9871 -18.3999 43.6019 9.66827 TIMING: 4907800 CPU: 15323.6, 0.00309956/step Wall: 15323.6, 0.00309957/step, 0.0793833 hours remaining, 234.386719 MB of memory in use. ENERGY: 4907800 4016.5925 20548.7371 14436.4894 242.0800 -203362.1150 2521.9065 0.0000 0.0000 52161.3456 -109434.9640 299.7720 -161596.3095 -109066.4739 298.4201 -49.8416 -17.9076 762642.1445 12.6101 12.3528 PRESSURE: 4908000 -157.402 -74.8199 -123.062 -74.8207 -260.021 1.60496 -123.062 1.60442 279.822 GPRESSURE: 4908000 35.3078 -4.29233 -122.916 -102.656 -280.32 26.3785 36.6355 61.808 205.918 PRESSAVG: 4908000 -65.3716 -59.0164 -5.54039 -59.0163 24.0468 46.6247 -5.54037 46.6247 11.1684 GPRESSAVG: 4908000 -63.6806 -55.8506 -8.33752 -61.6185 24.2666 45.5168 -2.24255 47.6458 9.24475 TIMING: 4908000 CPU: 15324.2, 0.00309618/step Wall: 15324.2, 0.00309618/step, 0.0791247 hours remaining, 234.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4908000 4041.7524 20460.3703 14385.0244 258.2726 -203151.0017 2765.9950 0.0000 0.0000 51904.6107 -109334.9764 298.2965 -161239.5870 -108975.2770 298.6937 -45.8670 -13.0313 763487.1906 -10.0521 -10.0564 PRESSURE: 4908200 -119.782 116.918 105.456 116.918 -298.942 -2.10133 105.455 -2.10209 164.064 GPRESSURE: 4908200 -9.12782 145.061 49.8573 -105.76 -269.888 65.0756 78.57 -114.064 111.293 PRESSAVG: 4908200 -6.57577 -36.6174 -6.91161 -36.6174 27.8992 51.0488 -6.91168 51.0488 2.58512 GPRESSAVG: 4908200 -8.94232 -38.3086 -4.9545 -36.91 28.1936 53.1652 -7.74546 50.4723 4.6632 TIMING: 4908200 CPU: 15324.8, 0.00308875/step Wall: 15324.8, 0.00308875/step, 0.0787631 hours remaining, 234.386719 MB of memory in use. ENERGY: 4908200 4039.0858 20718.3912 14407.9590 231.7588 -203072.1289 2544.3412 0.0000 0.0000 52006.1588 -109124.4341 298.8801 -161130.5929 -108758.9156 299.3455 -84.8866 -55.9076 763692.8053 7.9695 7.9715 LDB: ============= START OF LOAD BALANCING ============== 15337.3 LDB: ============== END OF LOAD BALANCING =============== 15337.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15337.3 LDB: ============= START OF LOAD BALANCING ============== 15337.6 LDB: Largest compute 7031 load 0.031043 is 15.9% of average load 0.195230 LDB: Average compute 0.004384 is 2.2% of average load 0.195230 LDB: TIME 15337.6 LOAD: AVG 0.19523 MAX 0.213954 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.348 MB LDB: TIME 15337.6 LOAD: AVG 0.19523 MAX 0.213954 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.348 MB LDB: TIME 15337.6 LOAD: AVG 0.19523 MAX 0.213954 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.348 MB LDB: ============== END OF LOAD BALANCING =============== 15337.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15337.6 PRESSURE: 4908400 -304.738 -113.752 -92.8534 -113.752 -158.56 -161.908 -92.8534 -161.908 414.123 GPRESSURE: 4908400 -251.575 -187.432 -82.8942 -90.1964 -147.17 -107.944 -171.305 -243.518 424.944 PRESSAVG: 4908400 -5.46686 -28.1239 12.3989 -28.1239 0.411436 -12.6701 12.3989 -12.6701 31.4099 GPRESSAVG: 4908400 -3.42041 -28.6629 10.6983 -26.2248 0.334113 -13.645 12.507 -12.3217 28.9702 TIMING: 4908400 CPU: 15325.4, 0.00317958/step Wall: 15325.4, 0.00317958/step, 0.0809027 hours remaining, 232.765625 MB of memory in use. ENERGY: 4908400 3893.3572 20608.8671 14471.3194 252.6174 -202932.0601 2546.0762 0.0000 0.0000 51972.8563 -109186.9665 298.6887 -161159.8228 -108831.0479 299.2170 -16.3917 8.7332 762943.2363 8.7848 8.6280 PRESSURE: 4908600 428.092 103.719 101.813 103.719 161.913 131.912 101.813 131.913 -62.6574 GPRESSURE: 4908600 398.47 28.6372 96.4197 55.5128 234.912 119.705 104.623 119.429 -13.5589 PRESSAVG: 4908600 -78.2035 -12.1127 -19.9864 -12.1126 65.475 -11.8374 -19.9865 -11.8374 13.7904 GPRESSAVG: 4908600 -79.3369 -11.5127 -18.0648 -12.5707 65.3752 -12.0598 -22.1441 -11.9267 15.7801 TIMING: 4908600 CPU: 15326, 0.00310449/step Wall: 15326, 0.00310449/step, 0.0788195 hours remaining, 232.968750 MB of memory in use. ENERGY: 4908600 4029.9410 20522.7121 14479.6733 234.2855 -203911.7009 2908.5854 0.0000 0.0000 52326.8382 -109409.6654 300.7231 -161736.5036 -109049.0141 299.1950 175.7825 206.6076 760211.3044 0.3540 0.6061 PRESSURE: 4908800 192.973 48.6863 -227.797 48.6879 9.07478 193.994 -227.798 193.995 -139.349 GPRESSURE: 4908800 169.811 -81.2182 -320.592 -12.7142 96.2356 186.975 -234.348 110.628 -147.185 PRESSAVG: 4908800 17.7418 -27.9523 1.54151 -27.9522 -15.2301 -31.3529 1.54149 -31.3527 5.39294 GPRESSAVG: 4908800 18.3251 -28.1816 -0.0865751 -27.8928 -14.6827 -29.2921 2.08223 -31.4259 4.15619 TIMING: 4908800 CPU: 15326.7, 0.0030884/step Wall: 15326.7, 0.0030884/step, 0.0782396 hours remaining, 232.968750 MB of memory in use. ENERGY: 4908800 4002.4367 20528.0343 14426.5866 253.3564 -202919.3347 2510.7566 0.0000 0.0000 51824.4427 -109373.7214 297.8358 -161198.1640 -109011.3378 298.7906 20.8994 39.6206 761622.6967 2.6349 2.5995 PRESSURE: 4909000 288.721 -112.08 36.7161 -112.08 35.2978 -47.8654 36.7157 -47.8656 -1.55683 GPRESSURE: 4909000 304.94 -117.521 6.59091 -36.2515 111.785 -45.6378 127.526 -107.09 12.5396 PRESSAVG: 4909000 45.9167 -40.4268 -16.2738 -40.4268 -46.2163 -37.4177 -16.2738 -37.4176 0.547358 GPRESSAVG: 4909000 46.616 -41.4997 -14.8489 -42.8129 -47.3937 -38.4134 -16.5984 -38.3226 1.39703 TIMING: 4909000 CPU: 15327.3, 0.00310402/step Wall: 15327.3, 0.00310402/step, 0.0784628 hours remaining, 232.968750 MB of memory in use. ENERGY: 4909000 3986.5879 20466.1931 14504.0151 256.9536 -203377.4910 2766.6197 0.0000 0.0000 51998.5279 -109398.5937 298.8363 -161397.1216 -109034.6276 299.0254 107.4874 143.0882 762433.3188 0.0826 0.2064 PRESSURE: 4909200 -80.8309 -271.248 138.516 -271.248 -80.4265 15.6639 138.517 15.6649 -87.9653 GPRESSURE: 4909200 -62.4994 -172.768 236.048 -213.86 -74.5263 44.2036 101.969 79.3493 -28.5106 PRESSAVG: 4909200 38.6639 -49.6654 31.0701 -49.6654 -8.82886 -12.1111 31.0701 -12.1111 -2.68147 GPRESSAVG: 4909200 37.0981 -47.1419 28.9707 -46.9103 -7.88084 -12.0402 32.6978 -9.78958 -2.42507 TIMING: 4909200 CPU: 15327.9, 0.00308664/step Wall: 15327.9, 0.00308664/step, 0.0778519 hours remaining, 232.968750 MB of memory in use. ENERGY: 4909200 3964.5576 20575.0620 14457.8984 229.6410 -203331.0653 2524.1044 0.0000 0.0000 51879.8201 -109699.9818 298.1540 -161579.8020 -109327.5821 298.8605 -83.0743 -55.1788 762331.5484 9.0512 8.9307 PRESSURE: 4909400 131.374 101.056 46.2285 101.056 -111.676 -205.601 46.2292 -205.601 48.73 GPRESSURE: 4909400 129.166 79.5765 -31.153 34.6657 10.7172 -157.903 65.6648 -27.0228 36.1439 PRESSAVG: 4909400 -5.86408 -44.5378 -3.42146 -44.5378 -0.80578 -25.8737 -3.42141 -25.8738 8.66712 GPRESSAVG: 4909400 -5.15304 -46.6222 -1.79534 -46.2751 -1.1656 -27.819 -4.61646 -26.3484 8.12021 TIMING: 4909400 CPU: 15328.5, 0.00310859/step Wall: 15328.5, 0.00310859/step, 0.0782329 hours remaining, 232.968750 MB of memory in use. ENERGY: 4909400 4048.9010 20314.5879 14454.3870 255.6225 -203668.0638 2882.8714 0.0000 0.0000 51885.0850 -109826.6089 298.1843 -161711.6939 -109456.0684 298.6527 22.8095 58.6758 762706.4851 0.6658 0.6005 PRESSURE: 4909600 -37.024 16.7916 322.761 16.7924 -328.313 80.4056 322.76 80.4059 -219.13 GPRESSURE: 4909600 -58.9902 67.8309 216.913 -79.5514 -316.026 122.715 266.288 58.6004 -136.355 PRESSAVG: 4909600 32.9947 -8.06881 -0.20288 -8.06873 -2.23943 14.299 -0.202924 14.299 27.1168 GPRESSAVG: 4909600 31.8641 -7.36328 -1.47328 -8.43762 -2.08542 14.7848 2.92679 13.35 27.6403 TIMING: 4909600 CPU: 15329.1, 0.00311272/step Wall: 15329.1, 0.00311272/step, 0.0781638 hours remaining, 232.968750 MB of memory in use. ENERGY: 4909600 3956.8858 20606.8561 14437.3220 245.8207 -203055.8311 2721.6669 0.0000 0.0000 51369.5015 -109717.7781 295.2212 -161087.2796 -109364.4384 298.0695 -194.8226 -170.4571 764540.8064 19.2907 19.1397 PRESSURE: 4909800 244.031 -271.945 -98.0769 -271.945 268.796 86.4426 -98.077 86.4424 157.085 GPRESSURE: 4909800 293.326 -206.432 -14.553 -280.214 267.407 121.364 -139.373 63.2757 199.098 PRESSAVG: 4909800 -3.66532 -44.7966 20.3719 -44.7966 -66.6194 -20.5632 20.3718 -20.5633 10.5484 GPRESSAVG: 4909800 -2.89882 -46.2268 19.9717 -43.8332 -66.4573 -20.8361 18.3782 -20.5868 9.71165 TIMING: 4909800 CPU: 15329.8, 0.00309752/step Wall: 15329.8, 0.00309752/step, 0.0776101 hours remaining, 232.968750 MB of memory in use. ENERGY: 4909800 3975.7593 20470.9856 14445.7935 219.8590 -203158.4597 2457.6212 0.0000 0.0000 51785.3124 -109803.1287 297.6109 -161588.4411 -109438.2633 297.9717 223.3040 253.2771 762065.4324 -19.9121 -19.8815 PRESSURE: 4910000 28.9469 -69.5754 -52.7 -69.5763 -20.2712 41.9635 -52.7 41.9638 505.079 GPRESSURE: 4910000 94.2835 -194.391 -105.506 -13.9534 -43.5302 31.7501 34.7011 149.662 531.581 PRESSAVG: 4910000 49.1093 0.0191732 -3.54176 0.0191752 -43.7469 -35.3348 -3.54175 -35.3347 -18.7099 GPRESSAVG: 4910000 48.5609 0.504027 -1.41842 -0.12391 -44.4229 -34.8139 -2.89839 -35.8752 -17.9336 TIMING: 4910000 CPU: 15330.4, 0.00308763/step Wall: 15330.4, 0.00308763/step, 0.0771908 hours remaining, 232.968750 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: 4910000 3941.8867 20298.7880 14432.2743 259.9545 -203673.7706 2689.7551 0.0000 0.0000 52079.2284 -109971.8836 299.3000 -162051.1120 -109610.9681 297.7742 171.2517 194.1116 760433.2923 -4.4492 -4.5985 PRESSURE: 4910200 -74.2617 -125.774 250.067 -125.775 -41.2937 -102.618 250.067 -102.618 -533.947 GPRESSURE: 4910200 -22.3647 -0.810772 279.381 -23.6183 -63.0779 -13.7063 96.0212 -74.8432 -487.909 PRESSAVG: 4910200 85.063 -7.95888 -11.0438 -7.95882 -59.8187 24.6484 -11.0437 24.6484 7.29197 GPRESSAVG: 4910200 86.3003 -7.37939 -10.318 -8.82912 -60.2748 23.6366 -13.0841 26.5962 6.85272 TIMING: 4910200 CPU: 15331, 0.0030896/step Wall: 15331, 0.0030896/step, 0.0770682 hours remaining, 232.968750 MB of memory in use. ENERGY: 4910200 4010.8911 20490.0222 14540.0802 272.2880 -203474.2903 2582.7208 0.0000 0.0000 51610.9741 -109967.3139 296.6090 -161578.2880 -109605.2000 297.2516 -216.5007 -191.1171 762532.7179 10.8455 10.9594 PRESSURE: 4910400 -156.37 -1.04469 81.5756 -1.04434 -387.004 -4.44593 81.5759 -4.44665 286.859 GPRESSURE: 4910400 -181.28 -122.689 93.3801 21.4253 -234.576 5.55331 -4.31103 79.5083 219.094 PRESSAVG: 4910400 42.177 2.28416 -34.1534 2.28412 -26.0253 -26.3392 -34.1533 -26.3392 0.172001 GPRESSAVG: 4910400 40.687 3.48128 -35.3018 0.76393 -24.2386 -25.3651 -33.5654 -26.3501 -0.36654 TIMING: 4910400 CPU: 15331.6, 0.00309585/step Wall: 15331.6, 0.00309585/step, 0.0770523 hours remaining, 233.027344 MB of memory in use. ENERGY: 4910400 3962.2634 20498.4791 14394.7619 261.8927 -203590.3886 2896.8444 0.0000 0.0000 51559.8377 -110016.3094 296.3151 -161576.1471 -109660.6137 297.2433 -85.5051 -65.5875 764399.5161 5.4412 5.3606 PRESSURE: 4910600 -307.604 -31.6143 -132.921 -31.6144 -295.84 -98.6557 -132.921 -98.6551 -369.045 GPRESSURE: 4910600 -280.237 45.895 -103.815 -50.2516 -329.86 -119.719 -111.857 -22.6972 -283.15 PRESSAVG: 4910600 51.6664 -52.1058 12.8521 -52.1058 -24.3232 18.2733 12.8521 18.2732 -6.30455 GPRESSAVG: 4910600 52.1521 -52.8006 13.2053 -51.4093 -24.9204 18.1407 12.4413 18.1929 -5.69213 TIMING: 4910600 CPU: 15332.2, 0.00311648/step Wall: 15332.2, 0.00311648/step, 0.0773926 hours remaining, 233.039062 MB of memory in use. ENERGY: 4910600 4041.1116 20293.4715 14499.2074 252.1971 -203470.3573 2632.1328 0.0000 0.0000 51903.2594 -109848.9775 298.2887 -161752.2369 -109487.5679 297.5358 -324.1628 -297.7490 764783.4092 7.0129 7.1799 PRESSURE: 4910800 -187.097 154.674 -112.248 154.674 -107.645 -89.7329 -112.247 -89.7328 544.588 GPRESSURE: 4910800 -100.248 230.135 -64.9146 111.292 -23.3974 -30.1619 -73.8826 -131.839 441.952 PRESSAVG: 4910800 8.35386 -61.0535 40.9774 -61.0535 16.7571 4.48542 40.9774 4.48541 -5.97183 GPRESSAVG: 4910800 8.3146 -59.7494 40.077 -62.3194 16.7408 4.05276 40.6122 3.645 -5.82213 TIMING: 4910800 CPU: 15332.9, 0.00311763/step Wall: 15332.9, 0.00311763/step, 0.0772479 hours remaining, 233.039062 MB of memory in use. ENERGY: 4910800 4050.9687 20354.2133 14479.9804 265.0087 -203633.8766 2824.4805 0.0000 0.0000 52008.4776 -109650.7475 298.8934 -161659.2251 -109293.3314 298.0215 83.2821 106.1023 763543.3685 6.3797 6.4111 PRESSURE: 4911000 327.71 -76.7258 69.5773 -76.726 -35.5776 -188.62 69.5773 -188.62 -138.281 GPRESSURE: 4911000 340.488 -121.776 28.3079 -57.5317 55.719 -279.674 105.12 -139.934 -140.72 PRESSAVG: 4911000 -25.6478 -30.3451 18.1944 -30.3451 29.2184 27.0305 18.1943 27.0305 7.80823 GPRESSAVG: 4911000 -26.2824 -31.624 18.0142 -29.6137 31.1457 26.9158 20.4177 28.2584 6.41861 TIMING: 4911000 CPU: 15333.5, 0.00310742/step Wall: 15333.5, 0.00310742/step, 0.0768224 hours remaining, 233.039062 MB of memory in use. ENERGY: 4911000 3930.2107 20305.8328 14459.6154 223.1641 -203505.5061 3078.9354 0.0000 0.0000 51879.6971 -109628.0506 298.1533 -161507.7477 -109262.8098 297.9007 51.2838 85.1625 764004.3890 3.7930 3.7606 PRESSURE: 4911200 -239.069 157.202 -26.111 157.203 -353.809 -72.1139 -26.1115 -72.1136 -117.671 GPRESSURE: 4911200 -203.183 129.76 34.4107 128.832 -323.019 -38.5545 -52.1341 -52.0709 -100.773 PRESSAVG: 4911200 49.246 -23.0602 26.8604 -23.0601 -32.9727 -25.2405 26.8603 -25.2405 10.2656 GPRESSAVG: 4911200 49.8106 -22.6334 27.4461 -23.5751 -34.5988 -24.9173 24.3019 -27.239 11.0425 TIMING: 4911200 CPU: 15334.1, 0.00310946/step Wall: 15334.1, 0.00310946/step, 0.0767001 hours remaining, 233.039062 MB of memory in use. ENERGY: 4911200 3977.4654 20436.4117 14489.0309 267.2030 -203111.3968 2485.0318 0.0000 0.0000 51784.2857 -109671.9682 297.6050 -161456.2539 -109311.5767 298.4888 -236.8495 -208.9915 764028.3014 8.8463 8.7515 PRESSURE: 4911400 32.746 -33.5275 -14.5726 -33.527 253.612 4.73141 -14.5727 4.73254 15.2854 GPRESSURE: 4911400 104.866 19.976 -23.5573 -33.95 317.131 -48.1619 -32.523 -17.5683 -39.0348 PRESSAVG: 4911400 -27.8975 -79.1984 -0.876054 -79.1984 23.7982 23.2065 -0.876071 23.2064 -3.21872 GPRESSAVG: 4911400 -27.0268 -79.9234 -0.53072 -78.4183 21.7227 22.926 0.124616 25.0253 -1.89295 TIMING: 4911400 CPU: 15334.7, 0.00311481/step Wall: 15334.7, 0.00311481/step, 0.0766589 hours remaining, 233.039062 MB of memory in use. ENERGY: 4911400 3979.0966 20392.5215 14444.5795 240.4862 -203614.1338 2946.7960 0.0000 0.0000 52002.3885 -109608.2656 298.8584 -161610.6541 -109245.4388 298.1932 100.5478 127.6541 763862.6229 -2.4393 -2.3990 PRESSURE: 4911600 -354.831 2.3422 22.7297 2.34208 -426.383 101.617 22.7295 101.617 -305.695 GPRESSURE: 4911600 -339.737 76.0237 156.789 2.15362 -437.709 81.7948 -39.4191 107.379 -224.883 PRESSAVG: 4911600 -48.2464 -50.5273 -40.4021 -50.5272 33.8335 -6.16339 -40.4021 -6.16334 -8.83615 GPRESSAVG: 4911600 -47.9956 -50.3329 -40.2147 -50.8712 35.1289 -4.92957 -39.1256 -7.24369 -9.82414 TIMING: 4911600 CPU: 15335.4, 0.00312853/step Wall: 15335.4, 0.00312853/step, 0.0768227 hours remaining, 233.039062 MB of memory in use. ENERGY: 4911600 4041.7000 20485.1780 14347.9362 254.3621 -203138.5482 2430.5057 0.0000 0.0000 51913.7003 -109665.1661 298.3487 -161578.8664 -109305.5426 298.6133 -362.3029 -334.1096 764110.6057 -7.7497 -7.5636 PRESSURE: 4911800 -237.636 -162.49 -6.31525 -162.489 228.835 -207.384 -6.31622 -207.385 -39.5255 GPRESSURE: 4911800 -198.773 37.8367 -57.0763 7.4958 261.843 -175.595 -76.9174 -135.445 -34.0094 PRESSAVG: 4911800 -71.8212 -12.3927 -1.03835 -12.3927 60.7385 24.5598 -1.03831 24.5597 1.38893 GPRESSAVG: 4911800 -72.7673 -11.975 -1.41136 -12.1165 61.8232 23.4608 -2.01839 26.7344 1.39417 TIMING: 4911800 CPU: 15336, 0.00311933/step Wall: 15336, 0.00311933/step, 0.0764235 hours remaining, 233.027344 MB of memory in use. ENERGY: 4911800 3963.3011 20410.3151 14459.0802 265.1191 -203480.1056 2702.7925 0.0000 0.0000 52102.0681 -109577.4295 299.4313 -161679.4976 -109214.2735 298.1642 -16.1087 9.6870 764004.7742 -3.2313 -3.1833 PRESSURE: 4912000 -233.744 -85.8782 31.7661 -85.8776 65.3677 -49.1524 31.7657 -49.1537 108.178 GPRESSURE: 4912000 -179.598 -82.5192 38.7456 -58.0733 123.822 -47.7755 12.3896 -38.2934 81.809 PRESSAVG: 4912000 -7.20557 12.3131 25.6061 12.3131 24.9674 -1.40272 25.6062 -1.40271 2.37082 GPRESSAVG: 4912000 -6.03431 12.4684 22.9613 11.7275 24.7056 -0.93159 27.5361 -2.65743 1.70263 TIMING: 4912000 CPU: 15336.6, 0.00311266/step Wall: 15336.6, 0.00311265/step, 0.0760871 hours remaining, 233.027344 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: 4912000 4009.8733 20556.6454 14423.2174 244.1081 -203681.4160 3014.0970 0.0000 0.0000 51760.1718 -109673.3031 297.4664 -161433.4749 -109318.5784 298.4002 -20.0658 8.6776 760806.5963 6.7109 6.7913 PRESSURE: 4912200 -315.484 -24.0477 148.534 -24.0478 113.373 50.5696 148.534 50.5695 2.64506 GPRESSURE: 4912200 -201.377 -7.87978 73.0281 -91.7426 78.661 66.8974 3.862 -18.4296 -7.40142 PRESSAVG: 4912200 18.8058 8.95909 44.0607 8.95907 -9.06464 25.2299 44.0607 25.2299 -4.0722 GPRESSAVG: 4912200 18.8591 8.80221 47.1728 11.0646 -9.89126 25.829 42.1809 23.6675 -3.28822 TIMING: 4912200 CPU: 15337.2, 0.00311357/step Wall: 15337.2, 0.00311357/step, 0.0759365 hours remaining, 233.027344 MB of memory in use. ENERGY: 4912200 4054.8224 20442.7693 14430.3628 237.0189 -203294.3257 2786.3788 0.0000 0.0000 51807.6180 -109535.3554 297.7391 -161342.9734 -109176.6532 298.4681 -66.4885 -43.3726 761739.6194 1.8896 1.8932 LDB: ============= START OF LOAD BALANCING ============== 15349.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15349.7 LDB: =============== DONE WITH MIGRATION ================ 15349.7 LDB: ============= START OF LOAD BALANCING ============== 15350 LDB: Largest compute 7028 load 0.033708 is 17.3% of average load 0.195346 LDB: Average compute 0.004363 is 2.2% of average load 0.195346 LDB: TIME 15350 LOAD: AVG 0.195346 MAX 0.216183 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.051 MB LDB: TIME 15350 LOAD: AVG 0.195346 MAX 0.216183 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.051 MB LDB: TIME 15350 LOAD: AVG 0.195346 MAX 0.216183 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.051 MB LDB: ============== END OF LOAD BALANCING =============== 15350 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15350 PRESSURE: 4912400 224.196 245.365 -190.12 245.366 113.028 -160.977 -190.12 -160.978 298.226 GPRESSURE: 4912400 211.786 291.295 -192.228 235.623 197.977 -188.771 -197.582 -66.1628 305.624 PRESSAVG: 4912400 62.6435 18.1158 6.69213 18.1158 -9.31037 -71.3215 6.69206 -71.3215 15.6067 GPRESSAVG: 4912400 62.5407 16.4857 6.23101 15.8962 -8.68863 -72.527 8.67483 -68.8815 14.8175 TIMING: 4912400 CPU: 15337.9, 0.00319003/step Wall: 15337.9, 0.00319003/step, 0.0776241 hours remaining, 233.539062 MB of memory in use. ENERGY: 4912400 3998.6911 20361.2500 14415.8572 235.3556 -203401.3425 2916.1980 0.0000 0.0000 51863.5017 -109610.4890 298.0603 -161473.9908 -109254.0039 298.4719 211.8170 238.4622 761164.3873 22.9799 22.8899 PRESSURE: 4912600 11.2853 62.3468 -70.543 62.3472 -73.7045 -115.847 -70.5422 -115.848 18.3936 GPRESSURE: 4912600 -38.0312 21.5342 -42.0273 68.6457 86.8612 -26.2699 -90.2908 -277.381 -12.0852 PRESSAVG: 4912600 -50.1747 -27.9987 16.4814 -27.9987 22.8226 -75.6956 16.4814 -75.6957 12.5088 GPRESSAVG: 4912600 -50.4474 -27.452 15.9787 -25.5413 22.9079 -73.6687 17.8683 -78.6041 12.9392 TIMING: 4912600 CPU: 15338.5, 0.00312555/step Wall: 15338.5, 0.00312555/step, 0.0758813 hours remaining, 233.550781 MB of memory in use. ENERGY: 4912600 3989.4466 20407.7957 14441.5877 244.4530 -202630.8106 2212.3365 0.0000 0.0000 51913.0466 -109422.1445 298.3450 -161335.1911 -109059.3769 298.5843 -14.6752 12.2483 763203.6989 -4.9477 -4.8668 PRESSURE: 4912800 -50.8979 61.4751 236.795 61.4757 -294.435 3.46213 236.794 3.46176 223.224 GPRESSURE: 4912800 -167.105 -68.6234 137.586 99.3653 -159.667 -2.71394 364.114 86.1036 262.433 PRESSAVG: 4912800 36.8005 -10.3661 23.4234 -10.3661 19.8391 25.7038 23.4234 25.7038 4.05135 GPRESSAVG: 4912800 35.2224 -11.1351 23.4075 -12.3142 21.4321 23.0068 20.5694 28.0212 3.62134 TIMING: 4912800 CPU: 15339.1, 0.00312073/step Wall: 15339.1, 0.00312073/step, 0.0755911 hours remaining, 233.539062 MB of memory in use. ENERGY: 4912800 3996.4990 20687.1486 14446.9162 241.6643 -203219.2510 2586.8496 0.0000 0.0000 52045.0109 -109215.1625 299.1034 -161260.1734 -108856.7543 298.7306 -40.7032 -21.4466 760915.5119 20.2303 20.0920 PRESSURE: 4913000 -272.273 23.5231 209.31 23.5243 -233.212 -155.393 209.309 -155.394 38.9906 GPRESSURE: 4913000 -211.109 -1.9627 120.059 80.0398 -216.873 -194.302 179.063 -172.618 61.9079 PRESSAVG: 4913000 2.17949 9.5217 13.6167 9.52169 -13.7459 6.4356 13.6167 6.43559 -6.9096 GPRESSAVG: 4913000 3.89928 8.85868 12.5771 10.32 -15.335 7.85202 15.0645 7.02886 -6.91255 TIMING: 4913000 CPU: 15339.7, 0.00309711/step Wall: 15339.7, 0.00309711/step, 0.0748469 hours remaining, 233.539062 MB of memory in use. ENERGY: 4913000 4054.6059 20329.9657 14488.6641 273.2206 -203254.0738 2727.2217 0.0000 0.0000 52284.2937 -109096.1021 300.4786 -161380.3958 -108727.3235 299.3111 -155.4980 -122.0247 761861.1828 -6.1587 -6.1161 PRESSURE: 4913200 -116.638 -156.55 -154.517 -156.551 95.2855 -29.0884 -154.517 -29.0888 281.52 GPRESSURE: 4913200 -44.5711 -43.5821 -113.085 -241.707 165.499 22.2086 -206.736 16.9114 218.675 PRESSAVG: 4913200 2.28044 36.1879 -9.15001 36.1878 21.1427 21.774 -9.15007 21.774 -10.1541 GPRESSAVG: 4913200 3.04717 37.3508 -5.8779 35.3684 19.5691 21.3591 -10.3702 20.3851 -9.54497 TIMING: 4913200 CPU: 15340.4, 0.00309016/step Wall: 15340.4, 0.00309016/step, 0.0745071 hours remaining, 233.550781 MB of memory in use. ENERGY: 4913200 4011.3876 20376.8975 14429.6874 257.7400 -203142.4808 2816.5457 0.0000 0.0000 52086.2060 -109164.0166 299.3401 -161250.2225 -108800.7060 299.4596 86.7225 113.2012 762279.3570 4.4230 4.3571 PRESSURE: 4913400 -0.319999 60.0589 41.6412 60.0577 238.861 -83.7183 41.6412 -83.7189 208.309 GPRESSURE: 4913400 -40.4314 138.283 68.2704 17.6433 341.756 -83.6234 252.33 78.5546 204.687 PRESSAVG: 4913400 27.4187 -44.8629 39.574 -44.8629 -7.74595 13.0817 39.574 13.0817 16.7611 GPRESSAVG: 4913400 27.0707 -44.2599 38.0346 -42.8089 -7.18074 14.1733 41.3692 14.1312 16.233 TIMING: 4913400 CPU: 15341, 0.00309567/step Wall: 15341, 0.00309567/step, 0.0744681 hours remaining, 233.550781 MB of memory in use. ENERGY: 4913400 3936.7191 20457.7586 14373.2103 245.7772 -203250.3625 2626.1637 0.0000 0.0000 52261.1961 -109349.5374 300.3458 -161610.7335 -108983.8130 299.2522 148.9499 168.6706 762144.5166 12.1446 12.0410 PRESSURE: 4913600 -299.761 47.6504 313.987 47.6508 -193.851 104.11 313.987 104.11 -213.335 GPRESSURE: 4913600 -305.081 89.5451 291.456 -24.2004 -85.1285 45.6978 249.537 33.045 -233.953 PRESSAVG: 4913600 19.9821 -6.52328 23.3541 -6.52334 23.1151 -48.0647 23.3541 -48.0647 1.56736 GPRESSAVG: 4913600 18.7676 -6.25468 22.5415 -8.89544 22.5696 -48.5444 21.5341 -48.6589 3.26922 TIMING: 4913600 CPU: 15341.6, 0.00308912/step Wall: 15341.6, 0.00308912/step, 0.0741388 hours remaining, 233.550781 MB of memory in use. ENERGY: 4913600 3996.5971 20441.4124 14360.3069 253.6660 -203290.0705 2696.1353 0.0000 0.0000 52007.9041 -109534.0487 298.8901 -161541.9529 -109163.0452 298.7606 -235.6492 -208.0539 762331.0204 14.8882 14.8688 PRESSURE: 4913800 -354.906 169.924 138.655 169.923 -53.0699 45.0078 138.656 45.0083 -118.724 GPRESSURE: 4913800 -169.439 113.125 192.869 123.771 -113.904 88.8373 57.3536 -3.56109 -179.146 PRESSAVG: 4913800 -67.2707 -28.2154 76.4936 -28.2154 7.96972 16.8167 76.4936 16.8168 14.3272 GPRESSAVG: 4913800 -66.7412 -27.4723 77.2497 -26.781 8.02362 16.7442 77.2365 14.7328 13.4555 TIMING: 4913800 CPU: 15342.2, 0.00308534/step Wall: 15342.2, 0.00308534/step, 0.0738767 hours remaining, 233.550781 MB of memory in use. ENERGY: 4913800 3960.1659 20442.0558 14450.6590 237.6633 -203068.5477 2340.0652 0.0000 0.0000 52218.7577 -109419.1807 300.1019 -161637.9384 -109058.3180 298.7696 -175.5665 -154.1629 762413.5704 -14.9912 -15.0874 PRESSURE: 4914000 37.3483 -102.903 -108.741 -102.903 50.1372 -153.675 -108.741 -153.676 -171.229 GPRESSURE: 4914000 21.2401 -88.6791 -101.446 -27.6375 110.621 -187.444 -91.262 -157.232 -124.184 PRESSAVG: 4914000 6.47951 -15.5855 8.92293 -15.5854 -13.722 26.5625 8.92285 26.5625 1.35816 GPRESSAVG: 4914000 5.53521 -17.0852 7.27062 -14.9968 -12.8756 28.485 8.26307 26.8753 1.60002 TIMING: 4914000 CPU: 15342.8, 0.00309075/step Wall: 15342.8, 0.00309075/step, 0.0738347 hours remaining, 233.550781 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: 4914000 3974.5933 20600.9243 14369.2685 260.8028 -203249.2268 2516.7484 0.0000 0.0000 52145.5910 -109381.2985 299.6814 -161526.8895 -109012.3385 299.1185 -27.9146 2.5588 763860.6051 -1.9614 -1.9135 PRESSURE: 4914200 59.9733 27.2817 -268.773 27.2813 153.629 -162.262 -268.773 -162.261 -292.441 GPRESSURE: 4914200 102.254 97.1255 -296.952 -36.5969 104.808 -119.629 -116.841 -114.603 -219.853 PRESSAVG: 4914200 -10.5379 -23.1937 -52.2128 -23.1937 5.18167 22.0308 -52.2128 22.0309 -25.1998 GPRESSAVG: 4914200 -10.5658 -23.9945 -50.8301 -21.6001 4.77814 22.3607 -50.4365 23.5937 -25.0184 TIMING: 4914200 CPU: 15343.5, 0.00312349/step Wall: 15343.5, 0.00312349/step, 0.0744433 hours remaining, 233.550781 MB of memory in use. ENERGY: 4914200 3977.4447 20503.3132 14392.4016 239.0406 -203388.3712 2984.8758 0.0000 0.0000 52106.6716 -109184.6238 299.4578 -161291.2954 -108821.3662 299.5698 -26.2797 -4.2638 763590.4921 -10.1853 -10.2687 PRESSURE: 4914400 -70.4276 -148.08 -71.1349 -148.079 231.754 -25.9242 -71.1348 -25.9238 23.8507 GPRESSURE: 4914400 61.9237 -156.929 -56.1123 -100.829 258.295 35.9045 -118.897 -80.0289 -59.5131 PRESSAVG: 4914400 -10.8554 10.0333 -32.7259 10.0334 18.1497 -14.3538 -32.726 -14.3537 -28.2141 GPRESSAVG: 4914400 -9.74497 11.6105 -32.0665 8.63327 17.6768 -18.7666 -32.4973 -14.9507 -29.3702 TIMING: 4914400 CPU: 15344.1, 0.00311817/step Wall: 15344.1, 0.00311817/step, 0.0741431 hours remaining, 233.550781 MB of memory in use. ENERGY: 4914400 3960.9770 20438.4601 14376.3895 235.4671 -203768.7874 3257.2208 0.0000 0.0000 52229.4964 -109270.7765 300.1636 -161500.2729 -108906.2327 299.1570 61.7257 86.9020 763400.1381 -6.9733 -7.1461 PRESSURE: 4914600 90.0261 -167.252 -19.6924 -167.253 -156.587 -113.466 -19.693 -113.467 -27.1087 GPRESSURE: 4914600 55.2658 -119.08 -33.0581 -88.0885 -19.1534 -133.959 7.24649 -79.5462 -22.5263 PRESSAVG: 4914600 55.3937 -27.0254 23.3301 -27.0254 -33.4092 -10.0573 23.3301 -10.0573 15.3417 GPRESSAVG: 4914600 54.3566 -27.3888 24.014 -26.2751 -32.6209 -8.5802 21.956 -9.12908 16.145 TIMING: 4914600 CPU: 15344.7, 0.00310647/step Wall: 15344.7, 0.00310647/step, 0.0736925 hours remaining, 233.550781 MB of memory in use. ENERGY: 4914600 4014.2050 20466.0843 14451.3335 258.8076 -203338.8553 2829.0399 0.0000 0.0000 52124.8946 -109194.4904 299.5625 -161319.3850 -108842.5367 298.8051 -31.2232 4.5287 763902.5382 12.4421 12.6269 PRESSURE: 4914800 296.853 -117.075 113.226 -117.076 287.192 -38.5572 113.225 -38.5577 207.636 GPRESSURE: 4914800 258.432 -17.2662 135.027 -171.309 375.023 -47.0845 86.6493 -39.9362 250.019 PRESSAVG: 4914800 5.41037 -12.0577 -10.3099 -12.0576 -23.9237 28.3895 -10.3099 28.3894 -18.1456 GPRESSAVG: 4914800 5.86526 -12.2302 -11.4142 -14.4156 -23.6343 28.3931 -11.7968 29.1385 -19.1028 TIMING: 4914800 CPU: 15345.3, 0.00310438/step Wall: 15345.3, 0.00310438/step, 0.0734704 hours remaining, 233.550781 MB of memory in use. ENERGY: 4914800 3977.2217 20411.5848 14503.1988 245.7979 -203302.5337 2798.3421 0.0000 0.0000 52113.4890 -109252.8994 299.4969 -161366.3885 -108890.4709 298.9869 263.8939 294.4912 762685.2690 -12.2197 -12.2906 PRESSURE: 4915000 -54.9074 151.189 -34.705 151.188 -218.46 -106.779 -34.7046 -106.78 253.973 GPRESSURE: 4915000 -52.9025 150.035 -25.2953 109.972 -136.83 -165.625 -96.5596 -132.785 279.451 PRESSAVG: 4915000 102.91 0.70798 -10.0679 0.70803 -90.368 -12.1778 -10.0679 -12.1778 -11.1131 GPRESSAVG: 4915000 102.35 2.68799 -10.1128 1.88325 -89.7336 -10.5751 -10.2536 -15.6722 -10.4171 TIMING: 4915000 CPU: 15345.9, 0.00311479/step Wall: 15345.9, 0.00311479/step, 0.0735436 hours remaining, 233.539062 MB of memory in use. ENERGY: 4915000 4009.4525 20636.3559 14443.8039 254.0026 -203275.6294 2796.0044 0.0000 0.0000 51945.7577 -109190.2524 298.5330 -161136.0101 -108835.7803 299.1421 -6.4646 29.9061 764340.6588 0.4761 0.7330 PRESSURE: 4915200 -319.761 -29.3553 -93.4151 -29.3552 -355.431 181.294 -93.4151 181.293 -304.598 GPRESSURE: 4915200 -223.49 70.486 -144.327 -17.0945 -436.117 130.841 -122.143 184.871 -236.591 PRESSAVG: 4915200 -22.4005 17.311 -18.9532 17.3111 31.1721 -52.9587 -18.9531 -52.9588 14.715 GPRESSAVG: 4915200 -21.3961 17.4942 -18.7267 15.9034 32.0771 -53.6423 -19.6318 -53.5118 13.3194 TIMING: 4915200 CPU: 15346.6, 0.00312205/step Wall: 15346.6, 0.00312205/step, 0.0735417 hours remaining, 233.539062 MB of memory in use. ENERGY: 4915200 4016.6166 20436.6229 14394.7796 241.6580 -202898.6837 2647.9988 0.0000 0.0000 52004.6070 -109156.4009 298.8712 -161161.0079 -108791.2378 298.9916 -326.5965 -298.7330 764061.6735 7.8289 8.0001 PRESSURE: 4915400 24.151 5.2379 -130.039 5.23739 16.9977 48.271 -130.039 48.2694 -223.979 GPRESSURE: 4915400 13.5264 -32.9085 -55.5283 -54.3915 100.928 42.3389 -76.3336 54.3731 -208.516 PRESSAVG: 4915400 9.57502 31.5295 -6.96281 31.5296 10.699 27.8534 -6.96281 27.8534 12.1967 GPRESSAVG: 4915400 8.53686 29.1102 -7.09821 31.3825 11.1982 28.8029 -4.06508 29.6627 12.8816 TIMING: 4915400 CPU: 15347.2, 0.00310981/step Wall: 15347.2, 0.00310981/step, 0.0730806 hours remaining, 233.539062 MB of memory in use. ENERGY: 4915400 4007.5590 20494.5436 14442.2194 256.5346 -203175.6174 2675.0862 0.0000 0.0000 51881.4920 -109418.1826 298.1636 -161299.6746 -109052.1056 298.5516 -60.9435 -31.3538 761651.8716 10.8235 10.8722 PRESSURE: 4915600 328.953 18.9576 355.753 18.9573 145.818 -49.7887 355.753 -49.7895 -82.4402 GPRESSURE: 4915600 351.147 63.9564 308.474 181.244 152.542 -43.4264 285.083 -12.703 -41.0224 PRESSAVG: 4915600 11.0891 33.6785 20.8021 33.6785 29.5476 5.06955 20.802 5.06952 -10.7584 GPRESSAVG: 4915600 12.2082 33.6618 19.7823 36.4206 26.8327 3.46226 20.1981 9.06734 -9.49783 TIMING: 4915600 CPU: 15347.8, 0.00309219/step Wall: 15347.8, 0.00309219/step, 0.0724947 hours remaining, 233.550781 MB of memory in use. ENERGY: 4915600 4004.9310 20431.7957 14418.2825 246.4715 -203204.4299 2778.7376 0.0000 0.0000 52038.0457 -109286.1660 299.0634 -161324.2117 -108920.5278 298.6204 130.7770 154.2222 763938.7838 9.9594 9.8477 PRESSURE: 4915800 -41.6815 -98.8961 -47.6693 -98.8963 -303.997 -32.3423 -47.6698 -32.3429 -298.588 GPRESSURE: 4915800 40.0652 43.9547 -23.9844 -65.6774 -296.539 -62.2288 -51.8008 -75.4266 -304.138 PRESSAVG: 4915800 39.6672 -27.1764 -6.69423 -27.1764 -35.4581 5.17891 -6.69428 5.17889 22.1223 GPRESSAVG: 4915800 39.2257 -24.6664 -5.99251 -28.7276 -34.105 4.39734 -7.6277 3.8063 21.44 TIMING: 4915800 CPU: 15348.4, 0.00311137/step Wall: 15348.4, 0.00311137/step, 0.0727714 hours remaining, 233.550781 MB of memory in use. ENERGY: 4915800 4005.5996 20539.3088 14431.9773 260.4542 -203099.0057 2642.7916 0.0000 0.0000 52196.3784 -109022.4958 299.9733 -161218.8743 -108655.4021 299.1539 -214.7555 -186.8706 762369.0410 8.7771 8.8535 PRESSURE: 4916000 -67.5077 -84.5312 6.08949 -84.5305 -248.9 106.843 6.08931 106.843 -153.561 GPRESSURE: 4916000 -83.2485 -21.9207 -75.4963 -160.847 -199.356 42.8734 -26.609 -0.879347 -104.641 PRESSAVG: 4916000 9.57577 -25.6302 40.4029 -25.6301 -5.41565 15.7438 40.4029 15.7438 -3.74553 GPRESSAVG: 4916000 9.64439 -27.2783 39.358 -24.8536 -5.73336 16.4462 40.7903 15.3276 -3.47037 TIMING: 4916000 CPU: 15349.1, 0.00312353/step Wall: 15349.1, 0.00312353/step, 0.0728823 hours remaining, 233.550781 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: 4916000 3962.1127 20526.4782 14434.6280 245.8313 -202916.7233 2550.5771 0.0000 0.0000 52031.8063 -109165.2897 299.0275 -161197.0960 -108797.5272 299.1090 -156.6562 -129.0821 762745.7685 0.1382 0.1469 PRESSURE: 4916200 128.812 133.953 248.166 133.954 -157.474 77.9754 248.166 77.9761 -414.654 GPRESSURE: 4916200 163.058 159.282 205.529 184.603 -142.958 68.076 270.513 -10.8012 -378.376 PRESSAVG: 4916200 61.6662 -11.8334 57.4247 -11.8334 -38.1075 28.2923 57.4247 28.2921 11.0909 GPRESSAVG: 4916200 61.2723 -10.7915 58.105 -9.83747 -38.4348 28.1899 57.5181 25.4652 12.3982 TIMING: 4916200 CPU: 15349.7, 0.00307981/step Wall: 15349.7, 0.00307981/step, 0.0716912 hours remaining, 233.550781 MB of memory in use. ENERGY: 4916200 4063.4221 20491.5574 14460.9288 272.9254 -202887.6598 2495.0332 0.0000 0.0000 52038.3460 -109065.4468 299.0651 -161103.7928 -108694.8580 299.6815 -147.7722 -119.4252 763412.1888 11.5499 11.7453 LDB: ============= START OF LOAD BALANCING ============== 15362.1 LDB: ============== END OF LOAD BALANCING =============== 15362.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15362.1 LDB: ============= START OF LOAD BALANCING ============== 15362.5 LDB: Largest compute 7028 load 0.032030 is 16.4% of average load 0.195349 LDB: Average compute 0.004358 is 2.2% of average load 0.195349 LDB: TIME 15362.5 LOAD: AVG 0.195349 MAX 0.21622 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.832 MB LDB: TIME 15362.5 LOAD: AVG 0.195349 MAX 0.21622 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.898 MB LDB: TIME 15362.5 LOAD: AVG 0.195349 MAX 0.21622 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.898 MB LDB: ============== END OF LOAD BALANCING =============== 15362.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15362.5 PRESSURE: 4916400 -120.086 121.842 79.2591 121.842 -159.826 -92.7106 79.259 -92.7117 -91.6703 GPRESSURE: 4916400 -61.4019 76.4479 123.003 30.6188 -60.9569 -190.655 73.8378 -98.7442 -157.594 PRESSAVG: 4916400 -16.9061 -8.70379 14.7878 -8.70382 -10.361 33.6252 14.7879 33.6252 10.0197 GPRESSAVG: 4916400 -16.2042 -8.45037 14.0802 -12.4808 -9.35962 32.4181 14.6935 35.5645 8.11397 TIMING: 4916400 CPU: 15350.3, 0.00314118/step Wall: 15350.3, 0.00314118/step, 0.0729452 hours remaining, 234.121094 MB of memory in use. ENERGY: 4916400 4007.3776 20588.5258 14416.9806 254.6302 -203290.3030 2765.5378 0.0000 0.0000 52245.2003 -109012.0509 300.2539 -161257.2512 -108649.3875 299.9278 -123.8609 -93.3177 762871.3669 -5.7491 -5.8166 PRESSURE: 4916600 -263.239 5.6106 12.2995 5.6114 -333.602 56.7477 12.2994 56.7484 127.678 GPRESSURE: 4916600 -273.398 -42.2146 33.5987 36.859 -310.832 55.6144 40.9323 63.7374 200.995 PRESSAVG: 4916600 -7.57211 -9.11823 -25.6706 -9.11823 -10.0456 31.5694 -25.6707 31.5694 16.0361 GPRESSAVG: 4916600 -8.02466 -9.40201 -24.0313 -8.13271 -9.73656 32.8129 -26.6954 31.0753 16.3345 TIMING: 4916600 CPU: 15350.9, 0.0031071/step Wall: 15350.9, 0.0031071/step, 0.0719811 hours remaining, 234.121094 MB of memory in use. ENERGY: 4916600 3926.3461 20682.3022 14458.6266 237.5277 -202627.6149 2466.4768 0.0000 0.0000 51885.9267 -108970.4089 298.1891 -160856.3355 -108604.8318 300.2863 -156.3874 -127.7451 764450.3045 -0.5272 -0.4756 PRESSURE: 4916800 -340.619 25.0347 -106.455 25.0345 -183.507 -54.7213 -106.455 -54.7211 -106.803 GPRESSURE: 4916800 -292.897 86.5157 -67.7137 4.67688 -70.8798 -18.9272 -103.365 11.4922 -165.662 PRESSAVG: 4916800 42.4785 7.76238 55.6116 7.76234 -63.8738 -25.0821 55.6116 -25.0821 -6.19107 GPRESSAVG: 4916800 43.3482 9.07986 56.2446 8.91462 -64.5689 -24.721 54.3123 -24.0719 -6.22499 TIMING: 4916800 CPU: 15351.5, 0.003114/step Wall: 15351.5, 0.003114/step, 0.071968 hours remaining, 234.121094 MB of memory in use. ENERGY: 4916800 3942.1864 20514.5527 14444.5369 258.6376 -202767.6587 2692.3658 0.0000 0.0000 52242.8780 -108672.5013 300.2405 -160915.3793 -108305.7234 299.8308 -210.3093 -176.4797 763767.1922 -9.1954 -9.1485 PRESSURE: 4917000 198.352 97.2573 -208.35 97.2573 -78.6307 -267.362 -208.35 -267.362 223.4 GPRESSURE: 4917000 155.838 23.7225 -143.501 97.9661 -33.8895 -257.574 -179.833 -186.63 297.627 PRESSAVG: 4917000 -46.6282 -11.6293 63.8033 -11.6294 47.3225 -9.87289 63.8033 -9.87293 -17.7424 GPRESSAVG: 4917000 -48.3136 -12.9877 64.2484 -13.1523 47.0424 -9.95702 66.6842 -10.3303 -15.6775 TIMING: 4917000 CPU: 15352.2, 0.00311918/step Wall: 15352.2, 0.00311918/step, 0.0719143 hours remaining, 234.121094 MB of memory in use. ENERGY: 4917000 3953.2531 20491.3875 14397.5700 249.4235 -203039.2570 2695.6804 0.0000 0.0000 52326.4958 -108925.4467 300.7211 -161251.9425 -108552.7620 300.5368 114.3738 139.8584 764776.1157 -5.6827 -5.6496 PRESSURE: 4917200 -56.8509 22.408 260.654 22.4069 -24.1119 215.745 260.653 215.745 61.5344 GPRESSURE: 4917200 -29.7457 18.5651 219.834 21.0353 23.5844 279.156 157.377 145.152 59.5819 PRESSAVG: 4917200 -5.25635 1.38085 -14.562 1.38081 0.885765 -14.4823 -14.5619 -14.4823 -0.25234 GPRESSAVG: 4917200 -3.82106 1.94502 -15.0846 1.20887 0.007825 -14.3308 -16.9915 -13.5859 -1.23876 TIMING: 4917200 CPU: 15352.8, 0.00310639/step Wall: 15352.8, 0.00310639/step, 0.071447 hours remaining, 234.121094 MB of memory in use. ENERGY: 4917200 4036.5674 20479.6712 14476.8533 248.7526 -203069.2441 2644.6096 0.0000 0.0000 52172.9195 -109009.8705 299.8385 -161182.7900 -108654.1232 299.4962 -6.4761 17.8069 762538.7394 -1.5410 -1.6840 PRESSURE: 4917400 -274.256 117.781 -240.721 117.78 -286.88 68.7294 -240.721 68.7278 6.06438 GPRESSURE: 4917400 -322.07 176.208 -321.62 50.8559 -169.579 48.8535 -122.085 71.5698 34.4522 PRESSAVG: 4917400 -1.61226 31.7494 -20.4449 31.7495 10.8827 4.13857 -20.4449 4.13852 0.842972 GPRESSAVG: 4917400 -1.89739 31.111 -21.1776 31.9763 11.7801 3.80846 -18.4636 4.61816 -0.420794 TIMING: 4917400 CPU: 15353.4, 0.00311119/step Wall: 15353.4, 0.00311119/step, 0.0713846 hours remaining, 234.121094 MB of memory in use. ENERGY: 4917400 4047.5807 20430.0593 14472.3082 263.1563 -203166.6837 2705.8467 0.0000 0.0000 52239.4096 -109008.3229 300.2206 -161247.7325 -108655.6708 299.7292 -185.0239 -152.3988 764638.8785 3.3711 3.1540 PRESSURE: 4917600 167.778 -0.826049 98.3839 -0.825579 -72.8412 -72.0823 98.3838 -72.0818 -273.163 GPRESSURE: 4917600 184.418 53.1288 86.8871 36.0938 -0.880238 49.6785 189.623 16.8525 -282.493 PRESSAVG: 4917600 1.9001 3.88942 0.684722 3.88938 -32.1216 27.0034 0.684731 27.0033 -7.81814 GPRESSAVG: 4917600 0.462251 5.27983 2.31737 2.82635 -30.5091 26.6269 -0.0718435 26.9636 -7.83402 TIMING: 4917600 CPU: 15354, 0.00314415/step Wall: 15354, 0.00314415/step, 0.0719662 hours remaining, 234.324219 MB of memory in use. ENERGY: 4917600 4050.9179 20659.9181 14415.2463 241.0711 -203610.7981 3014.0763 0.0000 0.0000 52123.9750 -109105.5935 299.5572 -161229.5684 -108759.6963 299.3681 -59.4087 -32.9853 764289.2378 -12.6799 -12.6269 PRESSURE: 4917800 -330.964 -111.007 87.6769 -111.007 -131.509 58.9033 87.676 58.9033 109.773 GPRESSURE: 4917800 -310.486 -93.8587 121.204 -81.6858 -67.3218 -6.58942 98.642 -39.0502 111.793 PRESSAVG: 4917800 70.8877 -8.20007 -18.1585 -8.20006 -47.4733 20.7362 -18.1586 20.7361 11.9213 GPRESSAVG: 4917800 72.1145 -11.8672 -19.6369 -5.30404 -49.2057 20.9585 -18.9889 19.6035 11.8642 TIMING: 4917800 CPU: 15354.7, 0.00311069/step Wall: 15354.7, 0.00311069/step, 0.0710274 hours remaining, 234.324219 MB of memory in use. ENERGY: 4917800 4083.5661 20694.2301 14411.4848 260.5684 -202894.3142 2564.9451 0.0000 0.0000 52284.7635 -108594.7563 300.4813 -160879.5198 -108241.8106 300.6667 -117.5670 -88.6717 764507.6740 11.7786 11.5910 PRESSURE: 4918000 138.628 -289.768 329.849 -289.768 -139.322 -107.962 329.849 -107.962 -235.379 GPRESSURE: 4918000 10.4093 -332.206 280.107 -180.552 -5.49299 -106.187 272.401 -75.4039 -141.438 PRESSAVG: 4918000 2.56456 -21.9243 13.5949 -21.9242 -52.4797 46.3281 13.5948 46.3281 -15.3302 GPRESSAVG: 4918000 1.45599 -16.1512 13.6081 -24.2711 -52.1121 46.6052 12.9676 46.4649 -14.6642 TIMING: 4918000 CPU: 15355.3, 0.00308687/step Wall: 15355.3, 0.00308687/step, 0.070312 hours remaining, 234.324219 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: 4918000 4059.0560 20444.0776 14453.8203 256.2229 -203315.5469 3009.2665 0.0000 0.0000 52376.8511 -108716.2524 301.0105 -161093.1035 -108350.6721 300.2035 -78.6911 -45.5074 764167.8959 -21.7484 -21.7734 PRESSURE: 4918200 111.803 85.1636 -22.4387 85.1629 -282.464 -46.5474 -22.4377 -46.5472 232.954 GPRESSURE: 4918200 260.433 70.7878 -116.031 -34.1535 -266.387 -29.35 -21.5314 -13.3294 145.409 PRESSAVG: 4918200 20.7579 -12.3921 67.9283 -12.3922 17.501 -10.4278 67.9283 -10.4279 0.0891488 GPRESSAVG: 4918200 20.9483 -15.6406 69.4611 -11.7883 17.2232 -10.3885 68.2814 -8.71901 0.564411 TIMING: 4918200 CPU: 15355.9, 0.00309301/step Wall: 15355.9, 0.00309301/step, 0.0702802 hours remaining, 234.324219 MB of memory in use. ENERGY: 4918200 4107.7997 20541.1382 14459.7698 251.9381 -203214.0255 3060.7667 0.0000 0.0000 51863.7779 -108928.8352 298.0618 -160792.6130 -108565.8953 299.9221 20.7642 46.4848 763642.5981 12.7827 12.9120 PRESSURE: 4918400 264.865 -105.65 -187.855 -105.649 -85.9825 -37.6994 -187.855 -37.6995 278.094 GPRESSURE: 4918400 213.794 -99.0201 -163.7 -72.3517 -40.9369 -136.819 -206.584 -41.2306 348.484 PRESSAVG: 4918400 36.7554 -18.901 15.8056 -18.901 -42.5226 -1.25704 15.8055 -1.25699 -4.29453 GPRESSAVG: 4918400 36.9585 -17.372 14.6868 -20.3797 -41.6834 -2.49211 16.1814 -1.08004 -5.60347 TIMING: 4918400 CPU: 15356.5, 0.00311092/step Wall: 15356.5, 0.00311092/step, 0.0705142 hours remaining, 234.324219 MB of memory in use. ENERGY: 4918400 4006.9580 20642.0931 14506.8782 245.2971 -202858.5391 2729.0267 0.0000 0.0000 51844.9386 -108883.3476 297.9536 -160728.2862 -108532.8040 299.3937 152.3255 173.7805 762510.7869 -3.3539 -3.4428 PRESSURE: 4918600 -6.39612 65.764 -77.6125 65.7644 -152.852 -77.6747 -77.6127 -77.6765 -107.008 GPRESSURE: 4918600 -115.723 78.0723 -92.8437 87.4841 23.4313 -217.118 -58.3593 29.2501 -111.372 PRESSAVG: 4918600 -22.0196 -29.1295 0.461598 -29.1295 15.7953 18.4218 0.461572 18.4219 -26.3678 GPRESSAVG: 4918600 -22.0164 -29.931 0.825439 -27.8825 15.9551 19.5087 1.62086 16.1923 -26.325 TIMING: 4918600 CPU: 15357.1, 0.00310322/step Wall: 15357.1, 0.00310322/step, 0.0701672 hours remaining, 234.324219 MB of memory in use. ENERGY: 4918600 3910.7993 20579.0697 14415.4293 241.0049 -202615.1234 2474.0476 0.0000 0.0000 52046.6921 -108948.0805 299.1131 -160994.7726 -108595.0287 299.2139 -88.7519 -67.8879 764115.3141 -10.8640 -10.7954 PRESSURE: 4918800 -444.274 60.7535 138.742 60.7536 -162.962 107.584 138.742 107.584 -350.949 GPRESSURE: 4918800 -400.659 27.4304 -47.2663 69.8154 -66.4761 185.955 315.901 126.547 -399.631 PRESSAVG: 4918800 -32.2149 -18.1711 24.4747 -18.171 38.0034 33.1589 24.4747 33.1588 -9.72148 GPRESSAVG: 4918800 -33.3328 -17.2416 23.0953 -18.7892 39.7497 34.3597 24.2868 32.8946 -9.71537 TIMING: 4918800 CPU: 15357.8, 0.00307677/step Wall: 15357.8, 0.00307677/step, 0.0693984 hours remaining, 234.324219 MB of memory in use. ENERGY: 4918800 4117.2750 20357.4352 14427.5695 232.6559 -202655.4752 2301.2238 0.0000 0.0000 52164.5361 -109054.7796 299.7903 -161219.3157 -108688.0221 298.9865 -319.3949 -288.9221 763821.5050 -1.3110 -1.0995 PRESSURE: 4919000 -209.096 -13.3655 105.352 -13.3657 -313.202 40.923 105.352 40.9224 -293.469 GPRESSURE: 4919000 -158.174 -115.106 93.7398 15.7544 -295.508 120.935 183.48 17.8394 -277.016 PRESSAVG: 4919000 -26.91 -5.03486 12.4425 -5.03489 30.4722 52.6643 12.4425 52.6643 0.400421 GPRESSAVG: 4919000 -24.4671 -5.38921 12.4586 -5.03726 28.8084 50.676 12.3841 53.7026 0.51886 TIMING: 4919000 CPU: 15358.4, 0.00310587/step Wall: 15358.4, 0.00310587/step, 0.0698821 hours remaining, 234.324219 MB of memory in use. ENERGY: 4919000 4111.1034 20488.5497 14406.3565 252.1856 -202677.8487 2533.7187 0.0000 0.0000 51900.9005 -108985.0345 298.2752 -160885.9349 -108624.8845 298.9961 -271.9223 -243.5661 763510.8574 1.3208 1.6200 PRESSURE: 4919200 -40.7154 93.9614 121.986 93.9608 178.39 -34.5554 121.986 -34.5563 39.571 GPRESSURE: 4919200 86.5043 41.5727 210.071 123.316 119.56 1.47513 214.984 -41.3559 40.2832 PRESSAVG: 4919200 -39.8503 -1.16375 37.0277 -1.16376 74.5796 59.2238 37.0277 59.2237 12.492 GPRESSAVG: 4919200 -40.0231 -1.95781 38.5542 -2.11232 74.2882 61.0941 37.0651 56.659 12.9623 TIMING: 4919200 CPU: 15359, 0.00309221/step Wall: 15359, 0.00309221/step, 0.0694029 hours remaining, 234.324219 MB of memory in use. ENERGY: 4919200 3916.5899 20611.9642 14491.0067 247.0299 -203024.6497 2784.2430 0.0000 0.0000 51829.1748 -109144.6413 297.8630 -160973.8161 -108792.5145 299.3883 59.0818 82.1158 763797.7699 15.7405 15.7425 PRESSURE: 4919400 -100.813 -87.1752 -315.034 -87.175 -287.842 232.046 -315.035 232.047 -201.555 GPRESSURE: 4919400 -54.2053 -76.2367 -328.606 -56.2209 -261.41 248.097 -236.474 110.999 -182.166 PRESSAVG: 4919400 -25.4522 9.57283 -10.6462 9.57285 15.9267 4.71989 -10.6462 4.71981 3.15725 GPRESSAVG: 4919400 -25.6194 10.496 -12.8364 10.3434 16.3226 3.44717 -10.8155 7.39795 3.22583 TIMING: 4919400 CPU: 15359.6, 0.00310433/step Wall: 15359.6, 0.00310433/step, 0.0695026 hours remaining, 234.324219 MB of memory in use. ENERGY: 4919400 3993.7932 20489.1411 14352.7527 255.2104 -202638.6925 2480.1059 0.0000 0.0000 51957.9283 -109109.7608 298.6029 -161067.6891 -108753.2500 299.2582 -196.7365 -165.9271 765770.3444 -2.1228 -2.0237 PRESSURE: 4919600 -358.821 -15.9832 15.2477 -15.9831 129.791 -82.7611 15.2484 -82.7603 -114.595 GPRESSURE: 4919600 -297.932 -16.631 -33.4707 36.0743 139.965 -86.1464 139.183 -51.2549 -86.8938 PRESSAVG: 4919600 5.90368 42.7095 52.7008 42.7094 -13.4465 -15.7997 52.7007 -15.7996 7.36148 GPRESSAVG: 4919600 4.40078 41.9468 55.0794 43.0365 -13.3224 -15.4025 50.9016 -16.9688 8.70636 TIMING: 4919600 CPU: 15360.2, 0.00311788/step Wall: 15360.2, 0.00311788/step, 0.0696326 hours remaining, 234.324219 MB of memory in use. ENERGY: 4919600 3870.8210 20558.2198 14436.4651 239.3056 -202990.9453 2553.4966 0.0000 0.0000 52114.5760 -109218.0611 299.5032 -161332.6371 -108856.0597 299.1557 -114.5418 -81.6202 764928.7484 -0.0605 -0.0718 PRESSURE: 4919800 285.615 -218.124 -162.12 -218.125 33.408 -36.1014 -162.119 -36.1009 22.7383 GPRESSURE: 4919800 345.169 -241.505 -203.03 -166.234 40.178 -129.745 -90.2431 30.3103 43.8739 PRESSAVG: 4919800 -36.1113 -30.4144 31.2135 -30.4145 33.5872 -2.40197 31.2136 -2.40204 -0.616159 GPRESSAVG: 4919800 -34.9274 -29.0855 31.0359 -30.575 32.5437 -1.25882 32.3408 -2.91804 -1.17762 TIMING: 4919800 CPU: 15360.9, 0.00310325/step Wall: 15360.9, 0.00310325/step, 0.0691335 hours remaining, 234.324219 MB of memory in use. ENERGY: 4919800 3927.2908 20429.9991 14390.9002 243.3208 -202829.8801 2487.7807 0.0000 0.0000 52248.0136 -109102.5749 300.2701 -161350.5884 -108737.3264 299.0927 113.9205 143.0735 764481.1931 -1.0468 -1.1871 PRESSURE: 4920000 168.665 138.941 159.388 138.941 -82.3431 -19.7655 159.388 -19.7651 131.935 GPRESSURE: 4920000 245.971 81.4969 123.752 176.649 -36.9215 -48.8298 30.4348 60.2892 99.4043 PRESSAVG: 4920000 61.0747 -32.9573 -0.657709 -32.9573 -38.6459 16.6708 -0.657679 16.6708 14.403 GPRESSAVG: 4920000 61.532 -35.0985 -1.43025 -33.7201 -38.5459 15.9815 -0.678779 18.1791 14.023 TIMING: 4920000 CPU: 15361.5, 0.00310643/step Wall: 15361.5, 0.00310643/step, 0.0690317 hours remaining, 234.324219 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: 4920000 3925.8696 20506.3245 14512.7747 239.9892 -202981.3779 2544.3235 0.0000 0.0000 52083.8084 -109168.2879 299.3264 -161252.0964 -108809.9662 299.1694 72.7524 102.8181 764661.6405 12.2773 12.3364 PRESSURE: 4920200 -54.2204 79.7507 -140.847 79.7518 156.996 105.333 -140.846 105.332 -109.784 GPRESSURE: 4920200 -70.2795 115.366 -79.517 80.0707 162.772 27.9412 -307.839 52.5974 -39.8941 PRESSAVG: 4920200 11.9027 -28.6058 -36.1138 -28.6058 -8.32406 -41.8287 -36.1138 -41.8287 -17.9572 GPRESSAVG: 4920200 10.983 -25.7518 -36.1684 -28.7927 -7.84091 -41.8984 -37.5996 -44.6523 -17.5965 TIMING: 4920200 CPU: 15362.1, 0.00310483/step Wall: 15362.1, 0.00310483/step, 0.0688238 hours remaining, 234.324219 MB of memory in use. ENERGY: 4920200 3979.7783 20525.5447 14495.0006 220.1910 -202808.3072 2445.0784 0.0000 0.0000 51715.7840 -109426.9302 297.2113 -161142.7143 -109063.2563 298.8682 -2.3360 17.5327 763050.6584 -4.7928 -4.8181 LDB: ============= START OF LOAD BALANCING ============== 15374.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15374.6 LDB: =============== DONE WITH MIGRATION ================ 15374.6 LDB: ============= START OF LOAD BALANCING ============== 15374.9 LDB: Largest compute 7028 load 0.032297 is 16.5% of average load 0.195301 LDB: Average compute 0.004356 is 2.2% of average load 0.195301 LDB: TIME 15374.9 LOAD: AVG 0.195301 MAX 0.217598 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 15374.9 LOAD: AVG 0.195301 MAX 0.217598 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: TIME 15374.9 LOAD: AVG 0.195301 MAX 0.217598 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: ============== END OF LOAD BALANCING =============== 15374.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15374.9 PRESSURE: 4920400 19.0802 7.47616 132.868 7.47496 -1.91501 -219.362 132.867 -219.362 -181.2 GPRESSURE: 4920400 141.972 -65.7243 64.9857 -44.4975 -29.4501 -274.696 50.4755 -179.154 -178.765 PRESSAVG: 4920400 -7.60866 5.57542 16.2364 5.57538 -9.83079 12.5574 16.2364 12.5574 6.94078 GPRESSAVG: 4920400 -8.58278 1.45136 15.7726 7.51737 -9.73696 10.955 17.2079 14.9555 7.84006 TIMING: 4920400 CPU: 15362.7, 0.00315973/step Wall: 15362.7, 0.00315973/step, 0.0698651 hours remaining, 234.246094 MB of memory in use. ENERGY: 4920400 4005.3313 20323.0328 14497.0546 240.4085 -203259.7723 2782.7776 0.0000 0.0000 51853.4297 -109557.7378 298.0024 -161411.1676 -109189.6436 298.2306 -54.6783 -22.0810 763282.9217 -3.4996 -3.4932 PRESSURE: 4920600 264.829 -283.647 21.4993 -283.647 -43.8695 107.092 21.499 107.091 177.852 GPRESSURE: 4920600 353.034 -390.029 54.3255 -175.902 -20.9541 119.009 81.4439 209.085 146.876 PRESSAVG: 4920600 35.753 -3.22845 -17.492 -3.22847 -13.0169 -12.6222 -17.492 -12.6221 -7.23207 GPRESSAVG: 4920600 36.5768 -0.605381 -17.764 -4.30103 -12.8751 -10.7908 -18.3727 -13.0963 -8.55192 TIMING: 4920600 CPU: 15363.4, 0.00310919/step Wall: 15363.4, 0.00310919/step, 0.0685749 hours remaining, 234.339844 MB of memory in use. ENERGY: 4920600 3953.2968 20345.6701 14429.7760 252.5969 -203574.8331 3023.5461 0.0000 0.0000 51765.0679 -109804.8793 297.4946 -161569.9472 -109435.6235 297.7469 132.9372 159.6518 762325.1480 5.1680 5.0499 PRESSURE: 4920800 109.226 -74.827 -37.382 -74.8273 -143.198 132.996 -37.3813 132.997 -38.088 GPRESSURE: 4920800 12.3831 -117.882 -64.5349 -182.011 -52.8814 87.8102 100.815 120.326 54.593 PRESSAVG: 4920800 -31.7677 -53.9633 13.1964 -53.9633 13.0636 22.2797 13.1964 22.2797 -20.5764 GPRESSAVG: 4920800 -31.0118 -54.7759 14.3511 -54.0766 11.9499 21.0065 14.9651 20.8609 -20.0655 TIMING: 4920800 CPU: 15364, 0.00312349/step Wall: 15364, 0.00312349/step, 0.0687168 hours remaining, 234.339844 MB of memory in use. ENERGY: 4920800 3884.7102 20541.7597 14392.8758 243.5603 -203379.6367 2709.9377 0.0000 0.0000 51869.2721 -109737.5208 298.0934 -161606.7929 -109381.0079 297.6913 -24.0202 4.6982 761767.2296 -13.0935 -13.0425 PRESSURE: 4921000 20.5503 -135.249 -18.5722 -135.25 39.3051 30.0103 -18.572 30.0095 135.478 GPRESSURE: 4921000 11.0343 -25.1345 -96.5643 -38.9236 115.868 21.1454 1.75569 -21.5704 162.96 PRESSAVG: 4921000 -0.385127 -16.9876 63.1102 -16.9875 39.083 -57.2427 63.1102 -57.2427 -1.95056 GPRESSAVG: 4921000 -0.625586 -15.2677 63.5704 -17.1921 39.9641 -57.5495 62.074 -53.5514 -1.83366 TIMING: 4921000 CPU: 15364.6, 0.0031112/step Wall: 15364.6, 0.00311121/step, 0.0682737 hours remaining, 234.339844 MB of memory in use. ENERGY: 4921000 3981.2568 20508.4797 14475.6756 268.9065 -203871.0238 3040.0792 0.0000 0.0000 52048.2086 -109548.4175 299.1218 -161596.6261 -109197.4147 298.5569 65.1112 96.6207 760560.1659 12.2491 12.5016 PRESSURE: 4921200 -172.456 -27.6394 -25.9275 -27.6398 -117.115 -17.5845 -25.9273 -17.5836 217.184 GPRESSURE: 4921200 -100.583 12.4168 -89.8424 -158.194 -15.6297 19.7874 -95.5974 6.89149 127.271 PRESSAVG: 4921200 3.66688 -19.4359 -60.9935 -19.4359 -23.8188 -59.7674 -60.9935 -59.7674 1.96103 GPRESSAVG: 4921200 2.85023 -20.0907 -60.9902 -21.1598 -22.9432 -58.5626 -60.8102 -61.2546 1.72807 TIMING: 4921200 CPU: 15365.2, 0.00309578/step Wall: 15365.2, 0.00309578/step, 0.0677632 hours remaining, 234.410156 MB of memory in use. ENERGY: 4921200 4044.2430 20469.3226 14421.2290 253.3343 -203677.1582 2823.1236 0.0000 0.0000 52272.7688 -109393.1368 300.4123 -161665.9057 -109030.9599 298.5791 -24.1288 3.6862 763121.0408 -6.0636 -6.1216 PRESSURE: 4921400 77.0597 97.1783 85.3713 97.1783 56.8731 83.6486 85.3709 83.6481 31.954 GPRESSURE: 4921400 116.458 -73.0166 239.529 103.68 98.6605 99.5122 47.6016 71.1049 29.1262 PRESSAVG: 4921400 8.59101 -8.89679 -61.606 -8.89685 39.6989 1.98693 -61.6061 1.98689 -11.3503 GPRESSAVG: 4921400 9.29512 -10.9294 -61.9006 -6.29381 39.1742 0.448749 -62.9139 2.49006 -11.3454 TIMING: 4921400 CPU: 15365.8, 0.00311198/step Wall: 15365.8, 0.00311198/step, 0.0679449 hours remaining, 234.464844 MB of memory in use. ENERGY: 4921400 3959.0784 20429.7735 14495.0758 229.1358 -203279.8497 2719.0353 0.0000 0.0000 51837.5612 -109610.1897 297.9112 -161447.7509 -109250.5194 298.4182 55.2956 81.4150 761674.5278 12.3132 12.3746 PRESSURE: 4921600 -30.6952 -209.115 96.9437 -209.115 -112.974 -62.9984 96.9439 -62.9982 -103.502 GPRESSURE: 4921600 -3.66948 -183.229 11.924 -174.79 -133.714 -118.231 -8.96512 -75.9161 -62.2195 PRESSAVG: 4921600 -6.97065 -8.88297 -63.3571 -8.88296 20.5172 -41.5143 -63.3571 -41.5143 -2.47486 GPRESSAVG: 4921600 -8.0096 -8.56557 -62.4965 -8.08177 21.5323 -41.5224 -64.2695 -41.2296 -2.60409 TIMING: 4921600 CPU: 15366.5, 0.00310425/step Wall: 15366.5, 0.00310425/step, 0.0676038 hours remaining, 234.476562 MB of memory in use. ENERGY: 4921600 4004.0503 20407.4187 14418.6246 257.4903 -203090.6151 2577.3856 0.0000 0.0000 51801.7819 -109623.8637 297.7056 -161425.6456 -109264.3060 298.0557 -82.3904 -66.5343 763342.9753 3.6906 3.6395 PRESSURE: 4921800 -177.699 -188.215 -130.955 -188.215 28.3445 -154.02 -130.955 -154.021 186.573 GPRESSURE: 4921800 -105.703 -117.711 -117.63 -142.505 100.799 -84.989 -64.2688 -50.6246 133.337 PRESSAVG: 4921800 26.9952 -53.1354 -26.9232 -53.1354 -11.3579 -7.18538 -26.9233 -7.1854 9.26394 GPRESSAVG: 4921800 27.5598 -54.2888 -28.8253 -52.6363 -12.8411 -7.98277 -25.226 -3.28551 10.7404 TIMING: 4921800 CPU: 15367.1, 0.00309555/step Wall: 15367.1, 0.00309555/step, 0.0672421 hours remaining, 234.476562 MB of memory in use. ENERGY: 4921800 3931.4861 20443.7658 14419.0725 242.4486 -203510.1893 2984.9916 0.0000 0.0000 51823.0452 -109665.3795 297.8278 -161488.4247 -109313.4171 298.0579 12.4063 42.8109 762150.4496 8.3004 8.4864 PRESSURE: 4922000 -198.037 -122.28 -126.105 -122.279 -176.876 23.9423 -126.106 23.942 -185.603 GPRESSURE: 4922000 -194.019 -198.876 -104.929 -145.184 -79.4952 -65.5947 -206.992 -5.21143 -180.76 PRESSAVG: 4922000 -13.7467 -44.3042 -46.3919 -44.3042 13.7504 4.62988 -46.3919 4.62978 6.28785 GPRESSAVG: 4922000 -13.2044 -44.0335 -45.2566 -43.8359 14.2518 7.01785 -47.5313 -0.617095 5.37419 TIMING: 4922000 CPU: 15367.7, 0.00311823/step Wall: 15367.7, 0.00311823/step, 0.0675616 hours remaining, 234.476562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4922000 3950.3196 20386.7790 14422.2313 256.7492 -203287.7054 2703.8274 0.0000 0.0000 51800.5584 -109767.2406 297.6985 -161567.7990 -109410.7575 298.1593 -186.8388 -151.4248 762808.0173 2.0972 2.1405 PRESSURE: 4922200 -69.6137 -97.2675 -20.9217 -97.267 -152.744 -14.8488 -20.9217 -14.8485 -107.648 GPRESSURE: 4922200 15.3938 -63.5923 -41.6433 -63.4944 -225.312 20.7252 -99.364 -35.9687 -31.9626 PRESSAVG: 4922200 52.3239 2.89897 -16.0252 2.89903 -15.859 42.4585 -16.0251 42.4585 7.34576 GPRESSAVG: 4922200 52.7202 4.77078 -16.1314 2.72667 -15.4481 40.3811 -16.2467 45.4985 6.40403 TIMING: 4922200 CPU: 15368.3, 0.00311956/step Wall: 15368.3, 0.00311956/step, 0.0674172 hours remaining, 234.476562 MB of memory in use. ENERGY: 4922200 4034.5430 20520.9808 14356.6716 251.3989 -203479.1918 2947.0627 0.0000 0.0000 51932.5712 -109435.9636 298.4572 -161368.5348 -109082.1523 298.4417 -110.0018 -80.6269 762153.8366 14.6035 14.5587 PRESSURE: 4922400 27.6809 -75.7884 33.8623 -75.788 121.333 97.2199 33.8618 97.2189 -153.693 GPRESSURE: 4922400 43.6645 -37.37 58.6514 -196.39 141.186 37.7084 66.9008 74.3865 -108.694 PRESSAVG: 4922400 29.2725 -8.83322 6.89147 -8.83317 -17.0252 -23.7495 6.89145 -23.7495 2.98876 GPRESSAVG: 4922400 29.1724 -9.04322 7.37727 -10.7534 -18.0944 -23.5666 9.24556 -24.4679 3.62036 TIMING: 4922400 CPU: 15369, 0.0031153/step Wall: 15369, 0.0031153/step, 0.0671521 hours remaining, 234.476562 MB of memory in use. ENERGY: 4922400 3964.0401 20391.6171 14437.2004 257.8600 -203359.4319 2692.4563 0.0000 0.0000 52316.7422 -109299.5158 300.6650 -161616.2580 -108920.0497 299.5346 -1.5597 25.3858 760757.2008 5.0787 4.8995 PRESSURE: 4922600 112.734 -81.8014 -142.883 -81.8008 -122.712 -150.072 -142.883 -150.073 144.408 GPRESSURE: 4922600 117.828 35.4379 -184.711 64.8498 -89.2271 -160.672 -160.044 -146.326 190.464 PRESSAVG: 4922600 4.30305 20.9047 13.6052 20.9046 16.5211 35.6712 13.6052 35.6712 18.5852 GPRESSAVG: 4922600 4.23443 19.6309 15.1517 23.7931 17.4122 36.7792 11.3889 36.6051 18.0874 TIMING: 4922600 CPU: 15369.6, 0.00309834/step Wall: 15369.6, 0.00309834/step, 0.0666144 hours remaining, 234.476562 MB of memory in use. ENERGY: 4922600 3956.6200 20385.2783 14488.1982 260.1308 -203148.2438 2597.4159 0.0000 0.0000 52233.9519 -109226.6487 300.1892 -161460.6006 -108856.5113 298.9891 44.8102 73.0216 761190.7130 13.1364 13.2447 PRESSURE: 4922800 -17.1616 -83.3947 -119.099 -83.3945 -249.114 150.75 -119.1 150.75 -41.3332 GPRESSURE: 4922800 -128.677 -78.7101 -218.353 -85.994 -114.577 153.876 -55.535 99.8568 3.09066 PRESSAVG: 4922800 47.1286 28.0558 11.2273 28.0558 -7.01175 -16.4643 11.2272 -16.4642 6.32339 GPRESSAVG: 4922800 46.7271 30.6418 9.53657 24.7385 -6.4237 -18.0125 10.7609 -15.99 6.41765 TIMING: 4922800 CPU: 15370.2, 0.00310715/step Wall: 15370.2, 0.00310715/step, 0.066631 hours remaining, 234.476562 MB of memory in use. ENERGY: 4922800 4077.6832 20671.8556 14431.8526 252.6702 -203557.8079 2762.0219 0.0000 0.0000 52117.0063 -109244.7182 299.5172 -161361.7244 -108885.7808 299.3806 -102.5363 -80.0545 761149.5560 15.4801 15.5737 PRESSURE: 4923000 65.3498 -107.614 -173.267 -107.614 203.543 192.335 -173.267 192.335 39.7673 GPRESSURE: 4923000 83.5293 -70.1436 -131.671 21.8859 251.074 203.544 -241.502 151.602 51.5808 PRESSAVG: 4923000 -1.65252 10.5619 -72.8184 10.5618 -51.4735 19.7155 -72.8184 19.7155 -5.71948 GPRESSAVG: 4923000 -2.13298 8.97648 -72.947 10.7064 -51.6464 22.0243 -71.7106 17.2726 -5.40866 TIMING: 4923000 CPU: 15370.8, 0.00310716/step Wall: 15370.8, 0.00310716/step, 0.0664586 hours remaining, 234.476562 MB of memory in use. ENERGY: 4923000 4037.4197 20792.6978 14442.1028 242.9705 -203435.8402 2678.9324 0.0000 0.0000 52159.9922 -109081.7248 299.7642 -161241.7170 -108717.0450 299.2866 102.8867 128.7279 762789.8146 -19.6152 -19.7293 PRESSURE: 4923200 -318.583 23.272 -29.865 23.2724 50.4776 -54.9684 -29.8647 -54.9687 85.8019 GPRESSURE: 4923200 -184.954 -145.507 -1.34161 7.01249 -7.61357 -57.8239 -55.9587 89.7777 83.424 PRESSAVG: 4923200 -13.8562 -4.1354 -29.2918 -4.13542 38.2688 -9.84484 -29.2918 -9.84479 -0.420158 GPRESSAVG: 4923200 -14.0967 -5.51632 -28.2632 -2.80804 38.4713 -10.7385 -30.0246 -7.28835 0.0361435 TIMING: 4923200 CPU: 15371.4, 0.00311528/step Wall: 15371.4, 0.00311528/step, 0.0664594 hours remaining, 234.476562 MB of memory in use. ENERGY: 4923200 4086.7799 20570.7149 14494.6732 231.6104 -203179.9636 2692.7231 0.0000 0.0000 52154.4399 -108949.0222 299.7323 -161103.4621 -108586.7195 300.3701 -60.7677 -36.3811 762606.2089 7.9975 8.1369 PRESSURE: 4923400 -483.81 41.7381 -139.608 41.7383 197.099 -11.1928 -139.608 -11.1918 236.843 GPRESSURE: 4923400 -336.05 78.9896 -55.911 25.1574 146.163 -28.9492 -123.082 42.0259 220.592 PRESSAVG: 4923400 -4.82906 -25.352 7.03499 -25.352 16.2191 40.0092 7.03494 40.0092 -8.30665 GPRESSAVG: 4923400 -3.09557 -24.091 5.35741 -22.6304 15.3318 39.5125 6.3641 40.245 -8.5298 TIMING: 4923400 CPU: 15372.1, 0.00311697/step Wall: 15372.1, 0.00311697/step, 0.0663222 hours remaining, 234.476562 MB of memory in use. ENERGY: 4923400 3966.8405 20689.9521 14455.3694 248.2727 -203140.4521 2731.1012 0.0000 0.0000 52069.1227 -108979.7935 299.2420 -161048.9162 -108620.6739 299.6885 -16.6227 10.2351 761823.5772 1.0278 1.2355 PRESSURE: 4923600 -88.267 165.322 -131.861 165.322 -117.482 -55.9438 -131.86 -55.9425 374.638 GPRESSURE: 4923600 -88.8968 176.668 -88.7781 111.59 -71.1017 -63.3333 -200.004 -56.1275 429.078 PRESSAVG: 4923600 -5.16644 -24.2694 -8.26259 -24.2694 22.329 -1.99611 -8.26254 -1.99609 -7.77697 GPRESSAVG: 4923600 -5.69263 -26.6254 -6.4831 -25.6252 22.4414 -3.1194 -8.34076 -2.89172 -7.58149 TIMING: 4923600 CPU: 15372.7, 0.00311853/step Wall: 15372.7, 0.00311853/step, 0.0661821 hours remaining, 234.476562 MB of memory in use. ENERGY: 4923600 4039.8514 20530.4760 14448.4209 244.2391 -203376.6855 2786.5128 0.0000 0.0000 52213.8746 -109113.3105 300.0739 -161327.1851 -108743.3267 299.6683 56.2963 89.6932 761361.3758 3.1285 3.0557 PRESSURE: 4923800 59.0689 35.5962 -65.9935 35.5955 -77.4818 38.5597 -65.9932 38.5599 -218.347 GPRESSURE: 4923800 86.6828 18.9261 -18.8794 -26.0484 -91.52 44.6554 127.172 50.8192 -126.856 PRESSAVG: 4923800 -19.5458 -47.3446 -53.8248 -47.3446 25.9603 -30.769 -53.8247 -30.769 4.29305 GPRESSAVG: 4923800 -20.1899 -46.4231 -54.9007 -48.2456 26.2888 -28.0107 -51.5326 -30.2867 4.7545 TIMING: 4923800 CPU: 15373.3, 0.00313149/step Wall: 15373.3, 0.00313149/step, 0.0662833 hours remaining, 234.476562 MB of memory in use. ENERGY: 4923800 4048.0069 20541.9762 14569.7239 223.7891 -203285.6017 2533.4037 0.0000 0.0000 52217.6030 -109151.0988 300.0953 -161368.7018 -108789.9498 299.7870 -78.9199 -43.8978 762225.0440 3.5692 3.6178 PRESSURE: 4924000 -59.1174 14.6393 155.681 14.6381 132.088 -73.1514 155.681 -73.1542 -430.4 GPRESSURE: 4924000 -27.3152 -16.5377 166.572 -56.8735 140.413 -63.3756 181.772 -224.791 -378.771 PRESSAVG: 4924000 5.02715 5.66485 40.8735 5.66489 69.9746 -15.5283 40.8735 -15.5282 7.99012 GPRESSAVG: 4924000 3.93299 7.44031 42.5369 5.73895 69.833 -16.0034 40.4507 -18.8518 8.63448 TIMING: 4924000 CPU: 15373.9, 0.00312465/step Wall: 15373.9, 0.00312465/step, 0.0659647 hours remaining, 234.476562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4924000 3995.9772 20703.7801 14396.6799 238.9810 -203362.2510 2754.8663 0.0000 0.0000 52238.3183 -109033.6483 300.2143 -161271.9666 -108668.7641 299.9384 -119.1430 -88.5577 762006.6830 27.6640 27.4668 PRESSURE: 4924200 -9.79728 114.93 112.916 114.93 249.793 183.485 112.916 183.485 149.44 GPRESSURE: 4924200 7.46847 20.6993 174.876 149.336 322.608 155.985 91.2601 159.205 136.15 PRESSAVG: 4924200 1.11122 1.78609 -11.1676 1.78613 -11.8653 12.3225 -11.1676 12.3225 -19.6943 GPRESSAVG: 4924200 2.21349 0.936368 -12.8171 2.63045 -10.3217 12.2167 -11.1156 14.8568 -22.0571 TIMING: 4924200 CPU: 15374.6, 0.00311716/step Wall: 15374.6, 0.00311716/step, 0.0656335 hours remaining, 234.476562 MB of memory in use. ENERGY: 4924200 4031.3890 20811.8674 14434.5241 251.4090 -203533.2424 2895.2054 0.0000 0.0000 52096.4240 -109012.4235 299.3989 -161108.8475 -108659.7142 299.8714 129.8121 155.4088 762884.3789 -10.1495 -10.0551 LDB: ============= START OF LOAD BALANCING ============== 15387 LDB: ============== END OF LOAD BALANCING =============== 15387 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15387 LDB: ============= START OF LOAD BALANCING ============== 15387.4 LDB: Largest compute 7028 load 0.033073 is 16.9% of average load 0.195290 LDB: Average compute 0.004390 is 2.2% of average load 0.195290 LDB: TIME 15387.4 LOAD: AVG 0.19529 MAX 0.213355 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.199 MB LDB: TIME 15387.4 LOAD: AVG 0.19529 MAX 0.213355 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.199 MB LDB: TIME 15387.4 LOAD: AVG 0.19529 MAX 0.213355 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.199 MB LDB: ============== END OF LOAD BALANCING =============== 15387.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15387.4 PRESSURE: 4924400 223.427 -102.76 5.27804 -102.76 418.447 279.465 5.2785 279.465 181.069 GPRESSURE: 4924400 214.467 -14.7551 -32.8604 -15.1582 412.577 250.481 -69.3959 45.9674 284.953 PRESSAVG: 4924400 -43.1605 -31.3949 14.0363 -31.3949 23.9375 -22.849 14.0364 -22.849 12.2138 GPRESSAVG: 4924400 -43.8928 -33.0538 13.7452 -30.0074 24.3247 -23.6925 11.344 -23.5067 12.761 TIMING: 4924400 CPU: 15375.2, 0.00318018/step Wall: 15375.2, 0.00318018/step, 0.0667838 hours remaining, 234.519531 MB of memory in use. ENERGY: 4924400 4020.3093 20583.5042 14481.0993 232.7652 -203460.1819 2754.8685 0.0000 0.0000 52336.5449 -109051.0905 300.7788 -161387.6354 -108682.5711 300.0251 274.3144 303.9991 762067.9931 -2.3364 -2.2690 PRESSURE: 4924600 -11.7004 -214.264 -259.9 -214.264 -20.1402 -167.658 -259.9 -167.659 -52.329 GPRESSURE: 4924600 -31.0846 -215.572 -239.078 -175.864 18.7808 -101.844 -76.5854 -38.3066 7.53275 PRESSAVG: 4924600 23.3726 10.3482 -0.305423 10.3483 -28.0794 6.95706 -0.305363 6.95707 -10.4979 GPRESSAVG: 4924600 23.584 12.0723 2.17922 9.44765 -29.2571 8.76166 1.36079 6.01252 -9.9454 TIMING: 4924600 CPU: 15375.8, 0.00311853/step Wall: 15375.8, 0.00311853/step, 0.0653158 hours remaining, 234.589844 MB of memory in use. ENERGY: 4924600 3943.6709 20582.4142 14417.8530 242.7410 -203146.8082 2506.7837 0.0000 0.0000 52282.5463 -109170.7992 300.4685 -161453.3455 -108810.1275 299.8139 -28.0565 -1.5904 762672.2981 -5.0682 -5.2061 PRESSURE: 4924800 -111.261 53.4985 -271.535 53.499 -140.626 -102.392 -271.535 -102.391 295.484 GPRESSURE: 4924800 -83.5831 63.7238 -336.827 12.5517 -112.962 -77.5106 -151.454 63.1216 316.621 PRESSAVG: 4924800 -9.91121 -8.2714 -20.912 -8.27138 29.5568 32.567 -20.9119 32.567 -4.43869 GPRESSAVG: 4924800 -10.3339 -7.94826 -23.6916 -8.95485 29.8136 31.5597 -22.4169 33.7319 -4.154 TIMING: 4924800 CPU: 15376.4, 0.00310975/step Wall: 15376.4, 0.00310975/step, 0.0649591 hours remaining, 234.644531 MB of memory in use. ENERGY: 4924800 4033.3615 20563.8351 14419.2650 244.2803 -203487.8511 2790.8855 0.0000 0.0000 52367.1925 -109069.0310 300.9550 -161436.2236 -108715.7685 299.7465 14.5324 40.0253 762657.2837 5.0690 5.1086 PRESSURE: 4925000 393.979 47.4701 255.521 47.4693 -25.6664 100.91 255.521 100.909 406.565 GPRESSURE: 4925000 471.02 116.683 229.821 67.2398 -25.0623 146.531 183.893 142.316 405.946 PRESSAVG: 4925000 37.8746 35.1755 -17.153 35.1754 -26.6529 32.7223 -17.153 32.7223 16.937 GPRESSAVG: 4925000 37.7257 34.7941 -16.3731 34.1896 -26.4406 32.3884 -17.3265 32.7913 16.526 TIMING: 4925000 CPU: 15377.1, 0.00309273/step Wall: 15377.1, 0.00309273/step, 0.0644319 hours remaining, 234.589844 MB of memory in use. ENERGY: 4925000 4043.6492 20481.6531 14454.9723 255.5283 -203315.5592 2798.5705 0.0000 0.0000 52104.4090 -109176.7768 299.4448 -161281.1858 -108815.7575 299.7406 258.2925 283.9676 763944.2388 9.3862 9.2704 PRESSURE: 4925200 10.5602 -21.6152 -189.461 -21.6154 -103.758 -69.7635 -189.461 -69.7638 -30.814 GPRESSURE: 4925200 29.6454 32.1169 -153.586 60.572 -50.3474 -26.5163 -227.559 -23.4138 -17.6383 PRESSAVG: 4925200 60.2795 -14.7426 32.9116 -14.7427 -48.4352 27.7013 32.9115 27.7013 -10.8438 GPRESSAVG: 4925200 60.2617 -12.1644 33.3834 -13.7407 -48.7979 28.1238 34.314 27.0912 -10.0755 TIMING: 4925200 CPU: 15377.7, 0.0030997/step Wall: 15377.7, 0.0030997/step, 0.0644048 hours remaining, 234.589844 MB of memory in use. ENERGY: 4925200 4074.5808 20632.6135 14421.9375 240.2513 -203160.6222 2666.6401 0.0000 0.0000 52035.3344 -109089.2646 299.0478 -161124.5990 -108731.9987 299.6992 -41.3372 -12.7801 763295.8375 0.3335 0.4628 PRESSURE: 4925400 -45.1611 -14.8457 282.764 -14.8449 143.396 48.009 282.764 48.0086 241.474 GPRESSURE: 4925400 -34.89 -73.8879 157.373 68.0621 188.485 87.7635 321.473 91.7277 251.627 PRESSAVG: 4925400 -11.163 11.0155 -39.0766 11.0155 30.0733 21.2918 -39.0766 21.2917 25.0851 GPRESSAVG: 4925400 -10.175 9.60871 -40.295 12.1826 29.6266 22.0589 -38.9661 21.8462 24.1462 TIMING: 4925400 CPU: 15378.3, 0.0031051/step Wall: 15378.3, 0.0031051/step, 0.0643447 hours remaining, 234.589844 MB of memory in use. ENERGY: 4925400 3963.5160 20739.7194 14447.8257 248.1757 -202839.2472 2443.5222 0.0000 0.0000 51896.8246 -109099.6636 298.2518 -160996.4882 -108734.5625 299.5450 113.2363 135.0739 761451.2199 14.6651 14.5326 PRESSURE: 4925600 -160.144 186.253 -24.0437 186.254 250.761 176.677 -24.0442 176.677 -61.8209 GPRESSURE: 4925600 -54.6881 110.522 -57.5122 136.22 279.838 144.56 42.0767 179.732 -109.973 PRESSAVG: 4925600 13.4076 23.1823 4.0979 23.1823 -47.1356 -6.06537 4.09787 -6.06532 4.95852 GPRESSAVG: 4925600 13.5172 23.3986 5.26071 22.0046 -46.6586 -6.92704 3.23973 -8.23292 4.63352 TIMING: 4925600 CPU: 15378.9, 0.00310932/step Wall: 15378.9, 0.00310932/step, 0.0642592 hours remaining, 234.589844 MB of memory in use. ENERGY: 4925600 3906.3396 20515.8779 14470.6689 274.1656 -203440.0179 2789.1104 0.0000 0.0000 52233.8589 -109249.9966 300.1887 -161483.8556 -108886.7496 299.4089 9.5988 38.3924 761644.8607 -9.5898 -9.5026 PRESSURE: 4925800 -129.526 -228.078 -77.4875 -228.079 -111.709 -325.145 -77.4877 -325.144 80.9978 GPRESSURE: 4925800 -80.332 -258.024 7.34682 -338.771 -76.3792 -253.466 -128.521 -313.334 87.7157 PRESSAVG: 4925800 -58.8784 -1.80794 -13.7278 -1.80797 19.8556 -17.3625 -13.7278 -17.3625 6.4467 GPRESSAVG: 4925800 -59.5337 -2.23375 -15.113 -1.78743 20.1681 -16.4121 -12.7547 -16.315 6.37246 TIMING: 4925800 CPU: 15379.5, 0.00309958/step Wall: 15379.5, 0.00309958/step, 0.0638857 hours remaining, 234.589844 MB of memory in use. ENERGY: 4925800 4001.1066 20503.1517 14406.2125 258.4331 -203256.8094 2631.0433 0.0000 0.0000 52130.1033 -109326.7589 299.5924 -161456.8622 -108955.5073 299.6100 -53.4125 -22.9985 763757.6334 -10.8587 -10.9977 PRESSURE: 4926000 -165.343 -163.969 107.785 -163.969 -92.0326 275.39 107.785 275.391 21.9422 GPRESSURE: 4926000 -68.5299 -130.587 111.042 -209.109 -85.4226 205.732 134.585 207.562 5.68331 PRESSAVG: 4926000 -33.325 -36.2752 0.951324 -36.2752 15.4335 -25.357 0.951311 -25.357 -3.80174 GPRESSAVG: 4926000 -33.4362 -36.7019 2.51555 -34.3533 14.3127 -26.0171 -0.320528 -26.2484 -2.86273 TIMING: 4926000 CPU: 15380.2, 0.00309329/step Wall: 15380.2, 0.00309329/step, 0.0635844 hours remaining, 234.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4926000 3967.0623 20610.9428 14399.0093 228.4850 -203462.0050 2835.9919 0.0000 0.0000 52073.2294 -109347.2843 299.2656 -161420.5137 -108989.3378 299.1794 -78.4778 -49.4231 762300.0071 -7.2311 -7.3287 PRESSURE: 4926200 -181.404 38.5445 24.0262 38.5442 163.806 101.776 24.0261 101.777 -483.578 GPRESSURE: 4926200 -43.951 85.6265 57.7931 -11.1127 147.721 139.137 -83.2762 175.982 -517.077 PRESSAVG: 4926200 55.3475 22.1137 -59.6425 22.1137 -58.9703 15.7513 -59.6425 15.7513 2.25753 GPRESSAVG: 4926200 55.4712 23.3927 -61.1783 20.8548 -58.3447 16.4111 -59.2014 14.6495 1.67064 TIMING: 4926200 CPU: 15380.8, 0.00309644/step Wall: 15380.8, 0.00309644/step, 0.063477 hours remaining, 234.589844 MB of memory in use. ENERGY: 4926200 4066.1557 20555.1890 14390.8296 248.3552 -203049.6319 2628.5412 0.0000 0.0000 52124.5650 -109035.9961 299.5606 -161160.5611 -108676.0815 299.5098 -167.0587 -137.7690 765285.7232 -0.4551 -0.4010 PRESSURE: 4926400 -110.474 -43.6751 184.396 -43.6739 327.617 20.0214 184.396 20.0209 -9.13412 GPRESSURE: 4926400 -50.5304 -89.8153 218.896 -1.68416 317.649 19.512 82.1621 31.4572 14.5125 PRESSAVG: 4926400 33.0108 9.33373 -19.2707 9.33379 -50.5686 -44.9063 -19.2708 -44.9063 -0.547441 GPRESSAVG: 4926400 31.6987 8.11464 -18.2816 10.4367 -50.4041 -45.3135 -20.1865 -43.1046 0.420752 TIMING: 4926400 CPU: 15381.4, 0.00309539/step Wall: 15381.4, 0.00309539/step, 0.0632836 hours remaining, 234.589844 MB of memory in use. ENERGY: 4926400 4009.0467 20515.2537 14473.6394 245.8597 -203521.1921 2896.7557 0.0000 0.0000 52134.6485 -109245.9883 299.6185 -161380.6368 -108883.2883 299.3628 69.3363 93.8769 762188.3988 -6.0351 -6.0949 PRESSURE: 4926600 -263.937 63.5378 84.9504 63.538 -147.602 69.6985 84.9506 69.6993 37.1515 GPRESSURE: 4926600 -254.833 125.598 136.826 152.904 -109.916 70.7429 24.8458 32.9973 52.8946 PRESSAVG: 4926600 -20.4245 -18.0829 -8.20139 -18.0829 41.2168 -2.66664 -8.20141 -2.66662 -8.79996 GPRESSAVG: 4926600 -18.4402 -17.5536 -8.11737 -17.9469 40.9871 -2.68977 -6.7577 -2.98205 -10.6578 TIMING: 4926600 CPU: 15382, 0.00310482/step Wall: 15382, 0.00310482/step, 0.0633037 hours remaining, 234.578125 MB of memory in use. ENERGY: 4926600 3957.0181 20774.1566 14448.4305 239.1205 -202750.4223 2272.7275 0.0000 0.0000 51696.7932 -109362.1759 297.1022 -161058.9691 -109015.0466 298.8668 -124.7957 -103.9514 763507.4830 3.9974 3.9630 PRESSURE: 4926800 19.0236 155.281 43.7039 155.282 603.285 -106.933 43.704 -106.932 16.4793 GPRESSURE: 4926800 47.7208 98.787 4.8627 123.854 613.085 -65.8862 -93.6601 -74.9796 63.8076 PRESSAVG: 4926800 22.6348 -34.4221 20.3055 -34.422 42.0496 -15.6645 20.3055 -15.6645 0.68841 GPRESSAVG: 4926800 22.0706 -34.2325 17.1993 -36.1373 40.9098 -17.5412 21.0084 -13.7175 2.2783 TIMING: 4926800 CPU: 15382.6, 0.00310173/step Wall: 15382.6, 0.00310173/step, 0.0630685 hours remaining, 234.578125 MB of memory in use. ENERGY: 4926800 3948.5962 20597.1673 14439.3418 236.5196 -203610.8434 3031.8776 0.0000 0.0000 52173.5376 -109183.8034 299.8420 -161357.3410 -108812.7849 299.0885 212.9294 241.5378 765111.0589 21.7909 21.7529 PRESSURE: 4927000 -7.67436 -20.2244 99.4211 -20.2248 -258.43 85.8632 99.4207 85.8635 -260.35 GPRESSURE: 4927000 -42.5201 16.1345 35.1924 -25.4152 -195.496 181.877 16.3653 77.5474 -215.955 PRESSAVG: 4927000 -27.6776 -0.483702 89.799 -0.483774 45.1082 -28.8078 89.799 -28.8078 29.4497 GPRESSAVG: 4927000 -27.9394 -1.95675 92.5178 1.89906 45.3903 -27.2087 89.2784 -31.1372 29.648 TIMING: 4927000 CPU: 15383.3, 0.00309272/step Wall: 15383.3, 0.00309272/step, 0.0627134 hours remaining, 234.589844 MB of memory in use. ENERGY: 4927000 3992.5484 20422.0767 14385.8449 245.0300 -202889.4775 2590.4367 0.0000 0.0000 51974.8112 -109278.7296 298.7000 -161253.5408 -108913.6591 299.1053 -175.4845 -151.3235 765705.3551 15.6268 15.6996 PRESSURE: 4927200 260.892 139.623 48.4525 139.623 -144.324 13.3273 48.452 13.3271 -109.831 GPRESSURE: 4927200 200.779 84.6924 33.2954 66.6927 -45.3062 88.6177 22.651 -63.7311 -81.4247 PRESSAVG: 4927200 7.69342 -35.9337 37.4513 -35.9337 24.4791 31.7847 37.4513 31.7847 -30.6229 GPRESSAVG: 4927200 7.01062 -33.4331 37.1532 -37.5859 25.1846 31.7431 36.8995 32.2084 -31.2615 TIMING: 4927200 CPU: 15383.9, 0.00309124/step Wall: 15383.9, 0.00309124/step, 0.0625117 hours remaining, 234.589844 MB of memory in use. ENERGY: 4927200 4013.8460 20453.3816 14450.7823 251.5688 -203548.1139 2948.6002 0.0000 0.0000 52065.4638 -109364.4713 299.2209 -161429.9350 -109004.1996 298.9930 2.2458 24.6828 762091.4895 0.5166 0.3112 PRESSURE: 4927400 200.696 102.473 -133.527 102.473 153 84.6264 -133.527 84.6262 -39.1765 GPRESSURE: 4927400 204.366 95.2656 -85.4087 146.147 102.49 34.1779 -9.14263 107.068 98.873 PRESSAVG: 4927400 17.9693 14.3263 24.2854 14.3263 -14.5411 43.7249 24.2854 43.7249 -13.1088 GPRESSAVG: 4927400 18.2729 14.1605 24.3623 15.3211 -14.6347 42.254 25.474 44.907 -13.6027 TIMING: 4927400 CPU: 15384.5, 0.00310735/step Wall: 15384.5, 0.00310735/step, 0.0626649 hours remaining, 234.589844 MB of memory in use. ENERGY: 4927400 3988.2549 20574.4437 14464.6590 227.3829 -203810.6822 3146.0090 0.0000 0.0000 51880.2176 -109529.7151 298.1563 -161409.9328 -109174.1621 298.8610 104.8398 135.2432 764279.5448 -3.2268 -3.3215 PRESSURE: 4927600 -310.728 234.689 -58.607 234.69 -228.18 114.891 -58.6067 114.891 -3.76566 GPRESSURE: 4927600 -254.83 188.308 -72.0595 287.471 -166.27 45.3082 -86.5582 68.7772 -47.3583 PRESSAVG: 4927600 -5.8367 -4.37404 9.44546 -4.37404 24.2541 39.6625 9.44554 39.6624 -19.5325 GPRESSAVG: 4927600 -5.33832 -3.6424 8.06794 -5.16949 22.5284 40.7976 10.9827 36.87 -18.6527 TIMING: 4927600 CPU: 15385.1, 0.00310755/step Wall: 15385.1, 0.00310755/step, 0.0624962 hours remaining, 234.589844 MB of memory in use. ENERGY: 4927600 4096.5566 20516.1198 14386.3910 254.4905 -203499.9100 2880.1504 0.0000 0.0000 52079.2530 -109286.9488 299.3002 -161366.2018 -108931.0878 298.6747 -180.8915 -156.1528 764878.6232 -0.3717 -0.4876 PRESSURE: 4927800 -98.8297 -196.659 87.6858 -196.659 -295.723 4.04919 87.686 4.04947 -127.703 GPRESSURE: 4927800 -65.9332 -198.343 124.3 -257.372 -230.229 -49.3914 107.579 61.3903 -145.942 PRESSAVG: 4927800 12.3677 31.0014 14.5161 31.0013 -10.1114 -40.6247 14.5161 -40.6248 -11.2512 GPRESSAVG: 4927800 10.4811 30.6657 14.4965 30.3188 -9.08692 -41.4555 12.0598 -39.4885 -11.4031 TIMING: 4927800 CPU: 15385.7, 0.0030962/step Wall: 15385.7, 0.0030962/step, 0.0620959 hours remaining, 234.589844 MB of memory in use. ENERGY: 4927800 3995.5288 20617.5187 14313.1756 235.5018 -203154.8121 2642.9425 0.0000 0.0000 52113.1642 -109236.9806 299.4951 -161350.1448 -108875.7415 299.5690 -174.0854 -147.3681 763632.3726 -2.9983 -3.3363 PRESSURE: 4928000 297.891 84.8752 -278.835 84.8745 -66.8035 76.6889 -278.835 76.6893 265.149 GPRESSURE: 4928000 325.868 139.436 -307.74 75.9644 -10.2702 66.6943 -257.781 116.375 267.909 PRESSAVG: 4928000 -12.1213 -44.4254 22.1003 -44.4253 -31.5853 3.69301 22.1004 3.69297 16.3123 GPRESSAVG: 4928000 -12.1041 -46.9244 24.3408 -43.6038 -30.7016 4.99052 21.3991 2.01131 15.6093 TIMING: 4928000 CPU: 15386.4, 0.0031016/step Wall: 15386.4, 0.0031016/step, 0.062032 hours remaining, 234.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4928000 4075.2789 20428.4456 14357.3059 232.2278 -203647.6482 3149.4991 0.0000 0.0000 52256.4448 -109148.4461 300.3185 -161404.8909 -108782.4605 300.0051 165.4121 194.5021 763348.4889 -9.1314 -9.0655 PRESSURE: 4928200 -73.2688 -67.4993 -265.293 -67.4984 -361.337 -183.402 -265.293 -183.402 -390.678 GPRESSURE: 4928200 64.7416 -119.602 -198.045 69.5092 -325.975 -106.103 -35.5501 -171.865 -475.726 PRESSAVG: 4928200 15.0459 -47.8443 -54.6388 -47.8442 -6.56163 -0.387946 -54.6388 -0.387963 9.15433 GPRESSAVG: 4928200 15.7406 -44.5812 -56.027 -49.0342 -6.6319 -0.416818 -53.1691 0.695774 8.65839 TIMING: 4928200 CPU: 15387, 0.00309581/step Wall: 15387, 0.00309581/step, 0.0617443 hours remaining, 234.589844 MB of memory in use. ENERGY: 4928200 4031.6769 20457.8962 14400.3919 262.4700 -203087.1624 2495.0159 0.0000 0.0000 52282.0676 -109157.6438 300.4658 -161439.7115 -108790.3040 299.9197 -275.0947 -245.6529 764057.6770 5.8795 5.9224 LDB: ============= START OF LOAD BALANCING ============== 15399.5 LDB: ============== END OF LOAD BALANCING =============== 15399.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15399.5 LDB: ============= START OF LOAD BALANCING ============== 15399.8 LDB: Largest compute 7028 load 0.035554 is 18.2% of average load 0.195340 LDB: Average compute 0.004393 is 2.2% of average load 0.195340 LDB: TIME 15399.8 LOAD: AVG 0.19534 MAX 0.216261 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.359 MB LDB: TIME 15399.8 LOAD: AVG 0.19534 MAX 0.216261 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.359 MB LDB: TIME 15399.8 LOAD: AVG 0.19534 MAX 0.216261 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.359 MB LDB: ============== END OF LOAD BALANCING =============== 15399.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15399.8 PRESSURE: 4928400 -30.5261 -107.4 12.2264 -107.4 -344.868 -27.4251 12.2264 -27.4244 63.6416 GPRESSURE: 4928400 -81.0775 -140.013 -43.9705 33.4021 -203.547 -54.5967 -61.0137 -83.7547 54.3582 PRESSAVG: 4928400 -5.88551 -6.65111 -14.1163 -6.65109 -4.22477 -0.296961 -14.1162 -0.297036 3.79537 GPRESSAVG: 4928400 -6.16411 -8.59318 -13.0914 -6.20226 -5.31837 -1.35535 -13.0952 0.214081 4.86443 TIMING: 4928400 CPU: 15387.6, 0.00315687/step Wall: 15387.6, 0.00315687/step, 0.0627866 hours remaining, 234.828125 MB of memory in use. ENERGY: 4928400 4020.4613 20503.4739 14412.9242 271.8167 -202985.3562 2551.6093 0.0000 0.0000 52005.2332 -109219.8375 298.8748 -161225.0708 -108848.5671 299.6075 -103.9174 -76.7556 761523.4606 -2.1050 -2.2060 PRESSURE: 4928600 -193.658 -182.226 4.15925 -182.227 -216.664 -23.474 4.15948 -23.475 -15.0006 GPRESSURE: 4928600 -246.244 -150.998 -48.2683 -264.317 -171.614 18.6465 45.0157 -24.7211 84.7409 PRESSAVG: 4928600 52.3069 -38.1153 16.0274 -38.1154 -41.5305 33.2816 16.0274 33.2816 11.8066 GPRESSAVG: 4928600 52.3627 -36.5226 13.9962 -40.4392 -41.7618 34.5061 14.8493 34.6392 12.1465 TIMING: 4928600 CPU: 15388.2, 0.00307861/step Wall: 15388.2, 0.00307861/step, 0.0610591 hours remaining, 234.839844 MB of memory in use. ENERGY: 4928600 4018.7709 20482.6123 14444.4573 246.4541 -203239.7484 2635.7058 0.0000 0.0000 52116.2185 -109295.5295 299.5126 -161411.7481 -108934.6570 299.2909 -141.7741 -111.0392 761726.5194 7.5277 7.5825 PRESSURE: 4928800 281.071 -95.5908 180.385 -95.5907 32.0862 142.497 180.385 142.497 536.751 GPRESSURE: 4928800 351.097 26.5313 165.708 -8.97284 119.686 123.414 189.263 104.892 453.187 PRESSAVG: 4928800 10.7456 10.716 -13.2208 10.716 -16.5122 -49.3523 -13.2208 -49.3523 -11.0061 GPRESSAVG: 4928800 10.7836 8.58442 -12.9865 13.8231 -14.8057 -49.8518 -12.1738 -51.7264 -12.0083 TIMING: 4928800 CPU: 15388.8, 0.00308983/step Wall: 15388.8, 0.00308983/step, 0.06111 hours remaining, 234.968750 MB of memory in use. ENERGY: 4928800 3971.1386 20463.8522 14399.6876 270.7231 -203440.4998 3164.2743 0.0000 0.0000 51963.1051 -109207.7190 298.6327 -161170.8241 -108851.2973 299.6771 283.3029 307.9900 762255.2853 -5.5909 -5.3435 PRESSURE: 4929000 -44.2693 107.576 -259.56 107.577 -282.364 -381.637 -259.56 -381.637 -76.0653 GPRESSURE: 4929000 -73.599 79.4082 -330.704 -61.9822 -216.475 -343.973 -195.051 -296.027 -32.3085 PRESSAVG: 4929000 7.43528 -59.4734 16.3208 -59.4734 -13.1095 51.0876 16.3207 51.0876 0.978799 GPRESSAVG: 4929000 6.3674 -57.6306 17.1734 -62.3009 -13.6333 51.4928 16.2177 52.345 2.73413 TIMING: 4929000 CPU: 15389.5, 0.00310689/step Wall: 15389.5, 0.00310689/step, 0.0612748 hours remaining, 234.968750 MB of memory in use. ENERGY: 4929000 3924.4025 20597.1897 14430.9790 241.7165 -203096.1107 2651.0489 0.0000 0.0000 52193.2614 -109057.5128 299.9554 -161250.7742 -108687.5618 299.4175 -134.2328 -107.4608 763550.8303 -1.5651 -1.5106 PRESSURE: 4929200 15.4491 118.654 4.07172 118.654 100.581 115.533 4.07138 115.534 320.833 GPRESSURE: 4929200 40.5236 94.8072 -76.0063 80.5294 156.873 27.9097 71.2966 209.813 303.363 PRESSAVG: 4929200 -16.8851 -27.7534 24.6068 -27.7535 43.9922 1.59498 24.6067 1.59495 7.03212 GPRESSAVG: 4929200 -15.6161 -30.6502 23.8373 -24.5427 43.2116 0.130085 23.0738 1.86162 6.16108 TIMING: 4929200 CPU: 15390.1, 0.00310359/step Wall: 15390.1, 0.00310359/step, 0.0610373 hours remaining, 234.968750 MB of memory in use. ENERGY: 4929200 4001.6716 20579.6907 14418.2380 262.5953 -203360.0066 2812.2858 0.0000 0.0000 52040.1696 -109245.3556 299.0756 -161285.5252 -108883.7794 299.2867 145.6210 166.9198 760956.0123 11.3797 11.2522 PRESSURE: 4929400 -84.2628 9.39638 178.524 9.39687 48.0901 -63.2258 178.524 -63.2254 50.5935 GPRESSURE: 4929400 40.5641 -106.141 279.508 -57.6043 89.1275 -186.513 123.752 90.9324 -12.5508 PRESSAVG: 4929400 2.58166 -19.8437 15.5809 -19.8437 43.0787 15.0528 15.5809 15.0528 6.9707 GPRESSAVG: 4929400 2.66762 -18.0019 15.7815 -20.0218 43.8968 16.0439 16.4134 15.9101 6.08317 TIMING: 4929400 CPU: 15390.7, 0.0030905/step Wall: 15390.7, 0.0030905/step, 0.0606081 hours remaining, 234.968750 MB of memory in use. ENERGY: 4929400 3970.4334 20468.7289 14434.2539 258.9483 -203157.7824 2905.5719 0.0000 0.0000 52048.0165 -109071.8295 299.1207 -161119.8460 -108708.4897 299.5521 4.8069 39.0469 761742.1923 17.5437 17.5492 PRESSURE: 4929600 54.5688 -213.097 -124.632 -213.098 50.1189 271.048 -124.632 271.047 -414.085 GPRESSURE: 4929600 79.7396 -177.287 -157.507 -248.969 57.7848 194.564 -135.277 254.362 -360.732 PRESSAVG: 4929600 -18.7406 -22.0545 5.53037 -22.0544 -12.3223 44.2553 5.53049 44.2552 3.20226 GPRESSAVG: 4929600 -19.3503 -21.7571 6.72906 -22.8118 -12.1116 44.2797 3.47144 43.1096 3.70117 TIMING: 4929600 CPU: 15391.3, 0.00309306/step Wall: 15391.3, 0.00309306/step, 0.0604864 hours remaining, 234.968750 MB of memory in use. ENERGY: 4929600 3917.9583 20472.6615 14382.8700 238.7316 -202849.5425 2542.7141 0.0000 0.0000 52254.2704 -109040.3366 300.3060 -161294.6069 -108676.4325 299.6531 -103.1325 -74.4025 762879.6450 -9.2869 -9.2536 PRESSURE: 4929800 -109.095 -3.18974 -146.192 -3.18905 -135.166 -36.2514 -146.191 -36.2517 -295.475 GPRESSURE: 4929800 -77.9761 24.5726 -153.408 -24.9992 -72.7938 -22.4331 -53.146 -133.445 -315.552 PRESSAVG: 4929800 -24.8502 -19.7795 1.59213 -19.7795 -6.68782 -51.4679 1.59212 -51.4678 -3.02692 GPRESSAVG: 4929800 -24.4601 -19.8476 0.236307 -20.8668 -6.54851 -52.1923 2.85011 -52.45 -3.26375 TIMING: 4929800 CPU: 15391.9, 0.00310428/step Wall: 15391.9, 0.00310428/step, 0.0605335 hours remaining, 234.968750 MB of memory in use. ENERGY: 4929800 4077.8897 20349.3918 14423.1028 238.1669 -202778.5411 2540.0481 0.0000 0.0000 52041.6966 -109108.2453 299.0843 -161149.9418 -108755.7620 299.6829 -179.9124 -155.4406 762447.9662 -11.5216 -11.4241 PRESSURE: 4930000 -74.544 -183.96 -101.798 -183.961 64.628 57.6198 -101.797 57.6182 109.193 GPRESSURE: 4930000 -89.797 -163.261 -144.335 -118.567 189.974 82.6713 -112.365 130.183 93.132 PRESSAVG: 4930000 3.83627 -47.6392 -5.5585 -47.6391 3.29843 20.8227 -5.55848 20.8227 13.6988 GPRESSAVG: 4930000 4.81196 -47.4977 -4.83459 -46.1136 2.3601 21.389 -6.12814 21.8315 13.917 TIMING: 4930000 CPU: 15392.6, 0.00309274/step Wall: 15392.6, 0.00309274/step, 0.0601367 hours remaining, 234.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4930000 4011.4254 20462.0619 14281.4478 229.7450 -203146.1448 2550.9716 0.0000 0.0000 52095.2164 -109515.2766 299.3919 -161610.4930 -109150.4252 299.0318 33.0923 64.4363 760122.6749 6.9445 7.0297 PRESSURE: 4930200 -284.659 21.3416 283.177 21.3415 -2.17245 50.3944 283.177 50.3945 50.8463 GPRESSURE: 4930200 -162.188 -31.0469 250.838 3.90401 48.3724 77.8092 223.247 -97.349 -5.13636 PRESSAVG: 4930200 -17.4397 -8.91636 51.1083 -8.91633 -0.0456442 5.17672 51.1083 5.17672 -19.7961 GPRESSAVG: 4930200 -17.7569 -7.91663 51.5509 -9.49422 0.685083 4.30176 50.181 4.81371 -20.5242 TIMING: 4930200 CPU: 15393.2, 0.00309851/step Wall: 15393.2, 0.00309851/step, 0.0600767 hours remaining, 234.968750 MB of memory in use. ENERGY: 4930200 4072.1304 20521.3533 14431.4952 257.5385 -203135.1560 2580.4459 0.0000 0.0000 51742.2275 -109529.9651 297.3633 -161272.1926 -109168.1901 298.7405 -78.6617 -39.6505 761286.6622 -12.4271 -12.5320 PRESSURE: 4930400 155.919 -166.266 -71.7076 -166.266 317.062 92.1172 -71.708 92.1171 466.898 GPRESSURE: 4930400 177.031 -115.5 -59.1924 -185.904 358.412 258.343 -72.3439 17.6387 486.251 PRESSAVG: 4930400 34.5287 -80.037 0.0546441 -80.037 -17.7817 23.9104 0.0546879 23.9103 -14.5484 GPRESSAVG: 4930400 33.2676 -82.6405 -0.859868 -80.1344 -18.022 24.4429 1.90506 23.3898 -12.9534 TIMING: 4930400 CPU: 15393.8, 0.00310928/step Wall: 15393.8, 0.00310928/step, 0.0601128 hours remaining, 234.968750 MB of memory in use. ENERGY: 4930400 3950.9802 20495.4272 14409.6838 258.9958 -203285.1018 2694.4311 0.0000 0.0000 51865.6060 -109609.9776 298.0724 -161475.5837 -109251.3507 298.8729 313.2932 340.5644 761251.2839 0.7329 0.7641 PRESSURE: 4930600 51.0879 -112.043 40.7679 -112.044 94.9235 -93.2623 40.768 -93.2626 204.789 GPRESSURE: 4930600 126.255 -22.0624 28.5638 -140.986 110.022 -102.351 69.0723 -38.6373 201.683 PRESSAVG: 4930600 2.69619 -49.7577 3.05966 -49.7576 -21.0911 -15.975 3.05966 -15.975 -7.7634 GPRESSAVG: 4930600 3.82358 -46.2548 2.28248 -52.5444 -21.9035 -15.3955 2.35649 -15.9949 -8.6938 TIMING: 4930600 CPU: 15394.4, 0.00310095/step Wall: 15394.4, 0.00310095/step, 0.0597794 hours remaining, 234.968750 MB of memory in use. ENERGY: 4930600 3980.8866 20472.8203 14411.0253 241.7372 -203531.1379 2975.3753 0.0000 0.0000 51738.4379 -109710.8552 297.3415 -161449.2931 -109353.6682 297.9889 116.9333 145.9868 761695.2747 -8.7194 -8.9246 PRESSURE: 4930800 -262.153 164.398 129.205 164.399 -235.347 71.8073 129.205 71.8074 -54.1339 GPRESSURE: 4930800 -143.846 75.4852 145.121 163.156 -209.461 10.0522 36.9499 104.724 -106.995 PRESSAVG: 4930800 39.8487 -23.2803 -16.8279 -23.2803 -20.3016 21.6346 -16.8279 21.6346 5.67225 GPRESSAVG: 4930800 40.2226 -25.4524 -16.8216 -19.7101 -20.1199 21.8238 -14.8517 22.5372 4.71228 TIMING: 4930800 CPU: 15395, 0.00310256/step Wall: 15395, 0.00310256/step, 0.059638 hours remaining, 234.968750 MB of memory in use. ENERGY: 4930800 4046.3866 20404.9759 14423.5152 255.7230 -203119.1717 2619.3957 0.0000 0.0000 51724.9434 -109644.2320 297.2640 -161369.1754 -109287.4504 298.5626 -183.8778 -153.4342 761845.9017 8.4065 8.2716 PRESSURE: 4931000 -7.0901 66.0862 -175.951 66.0863 -286.401 112.846 -175.952 112.847 -132.905 GPRESSURE: 4931000 -17.6403 38.2739 -156.878 117.313 -243.822 98.0018 -195.752 207.602 -92.0373 PRESSAVG: 4931000 25.9437 -11.768 -54.3562 -11.768 0.332067 1.09123 -54.3563 1.09123 11.778 GPRESSAVG: 4931000 25.0782 -12.1313 -53.9334 -12.354 0.439008 1.43816 -54.6805 -0.23865 12.7325 TIMING: 4931000 CPU: 15395.7, 0.00308572/step Wall: 15395.7, 0.00308572/step, 0.0591429 hours remaining, 234.968750 MB of memory in use. ENERGY: 4931000 3919.4239 20442.3345 14412.6975 249.2019 -203610.9083 2637.0576 0.0000 0.0000 52002.2187 -109947.9741 298.8575 -161950.1928 -109591.4773 297.9312 -142.1321 -117.8332 761732.5729 12.6846 12.7499 PRESSURE: 4931200 235.977 -80.9775 -10.8614 -80.978 -182.572 2.76691 -10.8614 2.76701 358.195 GPRESSURE: 4931200 222.121 -87.5373 78.8657 -73.38 -68.4182 -48.2408 81.3791 53.5105 328.736 PRESSAVG: 4931200 34.5202 -43.8513 17.0882 -43.8513 -36.5257 45.4259 17.0882 45.4259 9.82663 GPRESSAVG: 4931200 35.0068 -44.4154 18.1657 -41.9403 -35.9021 44.6119 15.0107 44.9665 8.45041 TIMING: 4931200 CPU: 15396.3, 0.00308032/step Wall: 15396.3, 0.00308032/step, 0.0588683 hours remaining, 234.968750 MB of memory in use. ENERGY: 4931200 3927.2913 20398.6077 14493.5092 253.2471 -203314.4260 2663.2919 0.0000 0.0000 52004.0335 -109574.4454 298.8679 -161578.4789 -109215.2151 298.5076 137.2002 160.8129 761732.6082 2.6070 2.5184 PRESSURE: 4931400 -100.459 196.059 -142.685 196.059 -145.808 153.019 -142.685 153.02 -108.198 GPRESSURE: 4931400 -81.689 211.151 -167.224 50.8214 -93.1533 172.643 -92.8445 90.4541 -95.3774 PRESSAVG: 4931400 -7.15514 -17.1606 -24.3352 -17.1605 -38.3062 -10.3806 -24.3352 -10.3806 0.672908 GPRESSAVG: 4931400 -6.19644 -15.0859 -23.4512 -20.1748 -39.9826 -9.54937 -23.5462 -9.50063 1.12392 TIMING: 4931400 CPU: 15396.9, 0.00308595/step Wall: 15396.9, 0.00308595/step, 0.0588045 hours remaining, 234.968750 MB of memory in use. ENERGY: 4931400 3965.5309 20297.3525 14428.6974 244.2913 -203155.5726 2650.3917 0.0000 0.0000 51778.8375 -109790.4713 297.5737 -161569.3088 -109430.5562 298.4460 -118.1548 -90.0732 763091.9748 -14.9295 -15.0184 PRESSURE: 4931600 34.0931 -154.037 247.731 -154.037 -104.837 -137.762 247.73 -137.762 70.3098 GPRESSURE: 4931600 31.1608 -86.8501 250.152 -140.126 -54.5361 -127.245 142.791 -59.4207 90.939 PRESSAVG: 4931600 31.9969 -64.8035 -19.0964 -64.8035 -56.4232 -49.2167 -19.0963 -49.2166 -21.4857 GPRESSAVG: 4931600 30.1917 -66.4263 -19.1567 -64.8509 -55.3635 -50.8867 -20.3423 -49.3397 -20.7523 TIMING: 4931600 CPU: 15397.5, 0.00308105/step Wall: 15397.5, 0.00308105/step, 0.05854 hours remaining, 234.968750 MB of memory in use. ENERGY: 4931600 4015.0147 20337.2868 14408.7003 262.4127 -203307.9684 2660.5462 0.0000 0.0000 51874.7162 -109749.2914 298.1247 -161624.0076 -109382.1510 297.8476 -0.1447 22.5212 761805.4445 -15.3040 -15.3080 PRESSURE: 4931800 -96.5449 315.8 91.841 315.801 202.279 -30.5176 91.841 -30.5181 84.7004 GPRESSURE: 4931800 23.4457 242.233 126.578 195.008 226.037 -24.1231 76.6751 59.9152 49.9752 PRESSAVG: 4931800 -9.14949 -3.32026 10.7675 -3.32026 45.3191 -13.4479 10.7675 -13.448 8.64097 GPRESSAVG: 4931800 -7.8617 -2.14414 10.723 -2.78754 45.9423 -12.4147 11.889 -11.8877 7.35908 TIMING: 4931800 CPU: 15398.1, 0.00308322/step Wall: 15398.1, 0.00308322/step, 0.0584098 hours remaining, 234.968750 MB of memory in use. ENERGY: 4931800 3957.5462 20352.1387 14408.8358 252.8806 -203424.8709 2823.7351 0.0000 0.0000 52123.1513 -109506.5831 299.5525 -161629.7344 -109139.5130 298.6682 63.4782 99.8192 761652.3883 14.9369 15.1466 PRESSURE: 4932000 -38.9781 -112.925 -98.4901 -112.924 -218.549 145.996 -98.4898 145.997 -149.407 GPRESSURE: 4932000 -95.6318 -93.1765 -199.646 -135.117 -152.494 161.532 -76.5959 58.7813 -51.1559 PRESSAVG: 4932000 -35.1205 -24.565 -23.8489 -24.565 19.0883 1.26231 -23.849 1.26233 35.0167 GPRESSAVG: 4932000 -34.4001 -25.9362 -25.3407 -24.0161 19.2218 1.69378 -22.9697 -0.0548095 34.3053 TIMING: 4932000 CPU: 15398.7, 0.00308849/step Wall: 15398.7, 0.00308849/step, 0.0583382 hours remaining, 234.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4932000 4050.7918 20419.0008 14403.3651 266.1193 -203381.9087 2659.6513 0.0000 0.0000 51941.6453 -109641.3351 298.5093 -161582.9804 -109292.0010 298.5880 -135.6447 -99.7606 761379.2005 6.3282 6.3757 PRESSURE: 4932200 -337.03 -24.6081 -22.1199 -24.6069 -87.737 -165.981 -22.1194 -165.981 -101.991 GPRESSURE: 4932200 -221.026 -25.3167 -46.2733 -1.24406 -43.2261 -57.0995 -74.081 -238.516 -186.969 PRESSAVG: 4932200 19.6365 -7.83667 -5.00937 -7.83669 9.95596 0.822965 -5.00939 0.823018 -10.4257 GPRESSAVG: 4932200 19.7067 -6.40123 -4.8328 -10.1074 8.854 0.762999 -6.47413 -1.07688 -9.95578 TIMING: 4932200 CPU: 15399.4, 0.00308621/step Wall: 15399.4, 0.00308621/step, 0.0581236 hours remaining, 234.968750 MB of memory in use. ENERGY: 4932200 4011.8603 20284.2552 14446.4303 251.6543 -202937.8671 2362.3256 0.0000 0.0000 52013.3916 -109567.9499 298.9217 -161581.3415 -109205.4544 298.8033 -175.5859 -150.4071 761836.9258 6.3889 6.2016 LDB: ============= START OF LOAD BALANCING ============== 15411.8 LDB: ============== END OF LOAD BALANCING =============== 15411.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15411.8 LDB: ============= START OF LOAD BALANCING ============== 15412.2 LDB: Largest compute 7028 load 0.033659 is 17.2% of average load 0.195293 LDB: Average compute 0.004390 is 2.2% of average load 0.195293 LDB: TIME 15412.2 LOAD: AVG 0.195293 MAX 0.218531 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.035 MB LDB: TIME 15412.2 LOAD: AVG 0.195293 MAX 0.218531 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.035 MB LDB: TIME 15412.2 LOAD: AVG 0.195293 MAX 0.216157 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.035 MB LDB: ============== END OF LOAD BALANCING =============== 15412.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15412.2 PRESSURE: 4932400 235.796 -7.02535 81.432 -7.02549 158.969 -151.036 81.4312 -151.036 98.0787 GPRESSURE: 4932400 287.559 58.7438 93.053 118.763 153.886 -171.411 41.4364 -208.909 122.52 PRESSAVG: 4932400 16.2961 33.3706 18.7104 33.3706 20.7586 -19.8146 18.7104 -19.8146 15.1304 GPRESSAVG: 4932400 15.7805 33.5204 18.141 34.3562 20.8371 -20.8743 19.7207 -17.4559 15.7736 TIMING: 4932400 CPU: 15400, 0.00316505/step Wall: 15400, 0.00316505/step, 0.0594327 hours remaining, 233.546875 MB of memory in use. ENERGY: 4932400 4014.8900 20554.8669 14491.3492 255.2895 -203874.1882 3072.5338 0.0000 0.0000 51952.9642 -109532.2946 298.5744 -161485.2588 -109163.6857 298.9118 164.2815 187.9884 760964.6895 17.3950 17.4637 PRESSURE: 4932600 203.852 121.272 28.7735 121.272 -44.9243 2.68362 28.7733 2.68309 194.695 GPRESSURE: 4932600 176.217 146.035 48.5427 154.053 106.049 43.8247 181.452 -64.5103 136.747 PRESSAVG: 4932600 -49.7808 -9.0585 -25.7744 -9.0585 65.6204 23.7714 -25.7745 23.7716 38.5826 GPRESSAVG: 4932600 -50.7584 -10.6358 -24.9557 -6.7007 66.6469 25.9387 -27.6097 23.2408 38.4651 TIMING: 4932600 CPU: 15400.6, 0.00308211/step Wall: 15400.6, 0.00308211/step, 0.0577039 hours remaining, 233.546875 MB of memory in use. ENERGY: 4932600 4005.5840 20324.9848 14475.6250 252.8022 -203368.6214 2575.6357 0.0000 0.0000 51959.0369 -109774.9528 298.6093 -161733.9897 -109419.3123 298.8514 117.8742 139.6710 759918.3228 18.1408 18.1179 PRESSURE: 4932800 193.166 71.1183 -203.574 71.119 196.027 -359.125 -203.573 -359.126 -175.035 GPRESSURE: 4932800 183.518 36.9539 -238.871 31.8185 248.906 -318.951 -127.805 -287.59 -150.958 PRESSAVG: 4932800 33.9492 18.248 -20.3672 18.248 -22.039 -3.89041 -20.3672 -3.89046 -18.5506 GPRESSAVG: 4932800 32.9122 18.7269 -19.2582 16.4084 -21.6905 -7.11927 -20.4264 -2.41123 -18.1446 TIMING: 4932800 CPU: 15401.2, 0.00308656/step Wall: 15401.2, 0.00308656/step, 0.0576158 hours remaining, 233.546875 MB of memory in use. ENERGY: 4932800 4056.1106 20563.1480 14397.0811 230.9372 -203480.5456 2583.9797 0.0000 0.0000 51773.0274 -109876.2615 297.5403 -161649.2889 -109512.4058 298.5240 71.3862 93.8220 759289.4397 -2.2135 -2.3076 PRESSURE: 4933000 -316.388 42.729 197.135 42.7298 116.789 -128.011 197.134 -128.011 -432.599 GPRESSURE: 4933000 -119.656 34.4876 247.454 16.4868 84.9982 -111.225 138.549 -166.918 -481.276 PRESSAVG: 4933000 -46.3088 -3.8717 7.49625 -3.87172 -1.21151 -61.7161 7.49631 -61.7161 26.8547 GPRESSAVG: 4933000 -45.0507 -4.18369 8.14302 -4.14181 -1.13487 -60.2146 7.86765 -62.2466 25.5989 TIMING: 4933000 CPU: 15401.9, 0.00310366/step Wall: 15401.9, 0.00310366/step, 0.0577625 hours remaining, 233.671875 MB of memory in use. ENERGY: 4933000 4075.2275 20459.8659 14463.0552 229.0287 -203635.8885 2815.6049 0.0000 0.0000 51858.8487 -109734.2575 298.0335 -161593.1062 -109380.5618 298.4691 -210.7324 -171.9782 761264.3878 -6.8885 -6.8622 PRESSURE: 4933200 -45.541 -144.515 -21.1762 -144.514 -1.59456 -205.031 -21.1767 -205.031 -49.928 GPRESSURE: 4933200 -23.6806 -147.024 -46.2526 -164.992 32.8783 -243.01 -2.8575 -61.4458 -23.2154 PRESSAVG: 4933200 -10.5337 -21.4415 -12.3626 -21.4415 2.57188 -44.7797 -12.3626 -44.7797 -3.11736 GPRESSAVG: 4933200 -9.95191 -20.5022 -15.0249 -22.117 0.956608 -45.7567 -12.2355 -42.9504 -2.14477 TIMING: 4933200 CPU: 15402.5, 0.00308287/step Wall: 15402.5, 0.00308287/step, 0.0572044 hours remaining, 233.671875 MB of memory in use. ENERGY: 4933200 4005.2994 20251.9983 14461.9724 238.0922 -203621.1706 2693.5408 0.0000 0.0000 52152.5519 -109817.7155 299.7214 -161970.2674 -109443.9273 298.5007 -32.3545 -4.6726 760546.0873 -3.6931 -3.7134 PRESSURE: 4933400 26.4908 -90.1471 -144.376 -90.147 -142.755 149.251 -144.375 149.252 210.351 GPRESSURE: 4933400 93.3442 -134.26 -116.158 -178.564 -144.083 142.68 -72.4124 245.672 208.715 PRESSAVG: 4933400 -10.1063 -28.0453 -35.038 -28.0454 -10.1612 10.1272 -35.0381 10.1271 11.9023 GPRESSAVG: 4933400 -10.5216 -29.4362 -34.4229 -27.6961 -10.1339 9.23204 -35.0409 8.79841 12.3442 TIMING: 4933400 CPU: 15403.1, 0.00307696/step Wall: 15403.1, 0.00307696/step, 0.0569237 hours remaining, 233.671875 MB of memory in use. ENERGY: 4933400 3974.1091 20499.1501 14421.2902 239.3061 -203250.0365 2686.8200 0.0000 0.0000 51600.3425 -109829.0183 296.5479 -161429.3608 -109471.0212 298.4324 31.3624 52.6585 762232.9758 -2.7884 -2.7704 PRESSURE: 4933600 -172.415 -201.832 138.289 -201.832 -62.0437 197.484 138.288 197.485 186.552 GPRESSURE: 4933600 -168.432 -250.315 116.022 -179.635 -81.2281 118.868 179.084 121.276 270.096 PRESSAVG: 4933600 51.8947 -27.1015 11.1139 -27.1015 -39.8455 -47.1091 11.1138 -47.1091 -23.4621 GPRESSAVG: 4933600 50.1084 -26.7023 9.86139 -26.7928 -38.684 -47.1596 12.3656 -47.1262 -23.2589 TIMING: 4933600 CPU: 15403.7, 0.00308539/step Wall: 15403.7, 0.00308539/step, 0.0569082 hours remaining, 233.671875 MB of memory in use. ENERGY: 4933600 4036.1983 20400.6930 14380.1078 257.7982 -203772.7890 2681.7578 0.0000 0.0000 52081.3619 -109934.8720 299.3123 -162016.2339 -109566.5839 297.8333 -15.9688 6.8120 760853.1183 -3.8043 -3.9448 PRESSURE: 4933800 53.9411 176.766 207.46 176.765 169.863 170.213 207.461 170.214 372.033 GPRESSURE: 4933800 44.3678 146.755 182.196 152.002 350.892 124.455 31.1371 109.989 280.062 PRESSAVG: 4933800 18.7478 -58.4522 39.6479 -58.4521 -41.5049 26.3215 39.6479 26.3215 5.0551 GPRESSAVG: 4933800 19.2601 -58.9303 41.1714 -57.2162 -40.8398 25.7298 38.0957 26.0246 4.23829 TIMING: 4933800 CPU: 15404.3, 0.0030922/step Wall: 15404.3, 0.00309221/step, 0.0568622 hours remaining, 233.671875 MB of memory in use. ENERGY: 4933800 3966.2514 20509.1896 14453.1719 239.8778 -203593.9891 2958.4173 0.0000 0.0000 51893.5456 -109573.5354 298.2329 -161467.0810 -109215.5934 298.2248 198.6124 225.1069 762502.6597 -5.9007 -5.7805 PRESSURE: 4934000 -329.075 -119.201 -262.195 -119.201 -107.228 200.339 -262.194 200.339 -324.088 GPRESSURE: 4934000 -331.206 -184.614 -213.788 -34.6599 -138.34 144.964 -187.909 185.726 -196.942 PRESSAVG: 4934000 42.348 6.94606 2.67953 6.94611 1.28822 17.7659 2.67948 17.7659 9.11316 GPRESSAVG: 4934000 43.6591 5.19576 0.229905 8.53413 -0.00251654 20.3011 1.8647 16.8663 9.54545 TIMING: 4934000 CPU: 15404.9, 0.00309196/step Wall: 15404.9, 0.00309196/step, 0.056686 hours remaining, 233.671875 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: 4934000 3958.3464 20606.0981 14436.1188 234.0941 -203276.3267 2519.9599 0.0000 0.0000 52106.0081 -109415.7014 299.4539 -161521.7095 -109051.3020 299.1418 -253.4638 -222.1628 763744.2319 17.5831 17.7340 PRESSURE: 4934200 -281.339 -50.322 -171.064 -50.3213 68.2754 25.3582 -171.064 25.3576 268.347 GPRESSURE: 4934200 -156.566 -145.274 -7.76278 -92.1461 54.2427 21.3431 -126.519 -34.466 253.091 PRESSAVG: 4934200 20.7728 30.5539 -19.7771 30.5538 19.8171 35.0623 -19.777 35.0623 -5.72665 GPRESSAVG: 4934200 20.4138 31.219 -17.4029 29.824 20.2831 34.796 -19.3882 33.5892 -5.5191 TIMING: 4934200 CPU: 15405.6, 0.00310828/step Wall: 15405.6, 0.00310828/step, 0.0568124 hours remaining, 233.671875 MB of memory in use. ENERGY: 4934200 4050.1729 20468.5756 14456.1686 253.8560 -203151.3074 2600.9759 0.0000 0.0000 52132.6257 -109188.9328 299.6069 -161321.5585 -108830.8976 299.3727 18.4279 50.2560 762352.4545 11.6211 11.7259 PRESSURE: 4934400 287.007 74.1085 155.628 74.1092 390.798 -179.829 155.628 -179.829 208.577 GPRESSURE: 4934400 288.252 140.683 240.782 0.441803 494.774 -83.1242 143.149 -53.8406 222.182 PRESSAVG: 4934400 -3.28599 18.0227 22.4827 18.0227 -8.711 21.3792 22.4827 21.3791 -12.6966 GPRESSAVG: 4934400 -3.1224 19.3726 22.1116 17.7297 -8.06893 21.7744 21.1057 20.3398 -13.5783 TIMING: 4934400 CPU: 15406.2, 0.00310189/step Wall: 15406.2, 0.00310189/step, 0.0565234 hours remaining, 233.671875 MB of memory in use. ENERGY: 4934400 3940.5450 20591.2835 14454.2140 244.7610 -203822.9406 3099.7147 0.0000 0.0000 52068.0996 -109424.3229 299.2361 -161492.4224 -109062.3421 299.4023 295.4604 335.0692 761702.2206 -8.2312 -8.2565 PRESSURE: 4934600 -241.032 179.22 -3.4635 179.221 -121.715 22.2941 -3.46338 22.2941 -127.547 GPRESSURE: 4934600 -243.738 171.943 -12.0317 213.165 -102.328 19.1386 8.21078 -53.7979 -73.5478 PRESSAVG: 4934600 19.5768 18.4299 11.0423 18.4299 -26.4055 24.0566 11.0422 24.0566 -11.0678 GPRESSAVG: 4934600 18.4981 18.63 9.61035 17.0968 -25.997 24.0447 11.3807 27.1732 -10.559 TIMING: 4934600 CPU: 15406.8, 0.0030886/step Wall: 15406.8, 0.0030886/step, 0.0561096 hours remaining, 233.671875 MB of memory in use. ENERGY: 4934600 3902.3368 20510.0381 14504.2609 244.0886 -203194.6895 2609.3919 0.0000 0.0000 52191.8512 -109232.7219 299.9473 -161424.5731 -108872.9997 299.1508 -163.4315 -139.8713 762092.3308 -5.9655 -6.0193 PRESSURE: 4934800 289.694 -155.644 1.81968 -155.644 -67.8318 -180.857 1.82056 -180.856 -159.205 GPRESSURE: 4934800 268.999 -70.025 61.7909 13.3022 -59.2649 -188.508 71.1591 -207.109 -42.0893 PRESSAVG: 4934800 38.7283 -21.5303 -6.2811 -21.5303 -22.3009 50.1459 -6.28116 50.146 -24.9506 GPRESSAVG: 4934800 37.6212 -21.1848 -4.80746 -20.6623 -21.4287 48.4483 -5.32776 50.038 -24.6596 TIMING: 4934800 CPU: 15407.4, 0.00309962/step Wall: 15407.4, 0.00309962/step, 0.0561376 hours remaining, 233.671875 MB of memory in use. ENERGY: 4934800 3937.2597 20720.9379 14442.3391 258.3774 -203261.4103 2550.7805 0.0000 0.0000 51963.6147 -109388.1010 298.6356 -161351.7157 -109024.2318 298.9838 20.8856 55.8815 762633.9046 -2.8411 -2.8224 PRESSURE: 4935000 176.352 -88.8934 201.609 -88.8926 -20.7458 -114.284 201.609 -114.284 32.1114 GPRESSURE: 4935000 258.271 -120.98 129.758 -3.36144 8.94173 -117.554 150.731 -34.695 -1.28997 PRESSAVG: 4935000 36.0667 -5.07069 38.2504 -5.07068 -6.94174 57.365 38.2504 57.3649 3.94412 GPRESSAVG: 4935000 37.6081 -5.4098 36.1781 -5.88494 -7.78011 56.145 39.2814 58.7217 3.14621 TIMING: 4935000 CPU: 15408, 0.00310864/step Wall: 15408, 0.00310864/step, 0.0561282 hours remaining, 233.671875 MB of memory in use. ENERGY: 4935000 3959.0198 20683.7761 14416.6768 258.8287 -203173.4319 2428.2235 0.0000 0.0000 52084.6667 -109342.2403 299.3313 -161426.9070 -108983.1931 299.2203 62.5727 88.6411 761333.5480 11.0230 10.9914 PRESSURE: 4935200 208.377 126.253 -77.7107 126.253 -283.114 -164.407 -77.7112 -164.406 -55.2463 GPRESSURE: 4935200 204.486 171.447 -122.633 202.009 -230.175 -74.8489 54.8623 -189.195 -26.6983 PRESSAVG: 4935200 64.5905 17.4138 21.6188 17.4138 -42.2684 1.27049 21.6187 1.27057 14.7658 GPRESSAVG: 4935200 65.0424 18.5741 22.2596 16.202 -43.6382 2.85777 20.7872 0.0984102 15.556 TIMING: 4935200 CPU: 15408.7, 0.00309898/step Wall: 15408.7, 0.00309898/step, 0.0557816 hours remaining, 233.671875 MB of memory in use. ENERGY: 4935200 3915.2365 20520.3680 14424.8296 239.7476 -203289.8947 2654.9428 0.0000 0.0000 52149.6713 -109385.0989 299.7049 -161534.7702 -109020.8951 299.0833 -43.3280 -17.4626 763297.8270 12.3626 12.3201 PRESSURE: 4935400 322.065 94.8762 -178.692 94.8762 -152.434 -36.4631 -178.693 -36.4624 -50.4174 GPRESSURE: 4935400 220.592 17.0543 -176.335 2.30653 -47.8403 14.6064 -233.155 -5.29936 35.1828 PRESSAVG: 4935400 43.0775 66.0934 59.9983 66.0933 -20.525 -39.9952 59.9983 -39.9951 -10.3085 GPRESSAVG: 4935400 42.7273 66.1866 60.9348 67.4254 -19.4335 -40.4027 59.8136 -39.6435 -10.7818 TIMING: 4935400 CPU: 15409.3, 0.00310238/step Wall: 15409.3, 0.00310238/step, 0.0556705 hours remaining, 233.671875 MB of memory in use. ENERGY: 4935400 3956.2099 20437.1333 14524.0548 228.0911 -203492.0810 2902.7642 0.0000 0.0000 52208.0498 -109235.7780 300.0404 -161443.8278 -108860.1472 299.1435 39.7379 69.3114 762269.9943 4.0813 4.1707 PRESSURE: 4935600 -18.5862 -142.882 163.175 -142.882 -165.473 188.437 163.176 188.437 344.487 GPRESSURE: 4935600 38.888 -164.018 -0.0308255 -168.072 -73.9548 127.994 200.176 212.33 292.035 PRESSAVG: 4935600 52.45 -14.5823 10.0337 -14.5823 -47.0457 6.41789 10.0337 6.41791 29.2107 GPRESSAVG: 4935600 52.163 -16.922 8.36952 -14.4916 -46.9632 7.22504 11.632 6.45742 30.1141 TIMING: 4935600 CPU: 15409.9, 0.00310577/step Wall: 15409.9, 0.00310577/step, 0.0555588 hours remaining, 233.671875 MB of memory in use. ENERGY: 4935600 4027.6604 20409.9210 14480.9367 259.2289 -202887.2059 2512.1388 0.0000 0.0000 51989.1428 -109208.1773 298.7823 -161197.3201 -108849.3748 299.3297 53.4758 85.6559 761614.3676 11.5383 11.7713 PRESSURE: 4935800 -120.162 84.108 -82.0296 84.1079 -273.972 19.011 -82.0281 19.0121 -289.183 GPRESSURE: 4935800 -88.496 78.193 -42.6871 -106.004 -290.087 49.85 -50.4266 74.0436 -218.014 PRESSAVG: 4935800 91.6551 12.4208 35.2053 12.4208 -94.1187 -26.3261 35.2053 -26.3261 -1.40112 GPRESSAVG: 4935800 92.6316 14.1203 36.3581 11.7117 -94.3832 -27.6912 34.7882 -25.247 -2.4965 TIMING: 4935800 CPU: 15410.5, 0.00309342/step Wall: 15410.5, 0.00309342/step, 0.055166 hours remaining, 233.671875 MB of memory in use. ENERGY: 4935800 4017.8525 20421.2675 14424.6834 229.7480 -202990.6506 2367.9236 0.0000 0.0000 52058.8387 -109470.3369 299.1829 -161529.1755 -109112.7144 298.9682 -227.7723 -198.8659 762502.4212 -1.2882 -1.4160 PRESSURE: 4936000 -156.199 237.936 -194.151 237.936 -79.3839 -255.891 -194.152 -255.89 -104.756 GPRESSURE: 4936000 -156.432 296.488 -142.653 117.087 24.3186 -257.368 -292.92 -15.9464 -123.818 PRESSAVG: 4936000 19.9868 -8.51122 16.8598 -8.51124 -53.7314 47.1535 16.8598 47.1535 2.97546 GPRESSAVG: 4936000 18.869 -8.81888 17.9996 -7.86167 -52.4844 49.727 16.4881 46.4509 2.78952 TIMING: 4936000 CPU: 15411.1, 0.0030966/step Wall: 15411.1, 0.0030966/step, 0.0550506 hours remaining, 233.671875 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: 4936000 3971.8800 20508.3243 14457.3780 245.0774 -202975.9115 2303.3886 0.0000 0.0000 52171.2723 -109318.5908 299.8290 -161489.8631 -108959.2581 299.0536 -113.4464 -85.3106 761438.8337 -10.2564 -10.2753 PRESSURE: 4936200 -191.427 -190.921 -11.5348 -190.92 311.944 -42.643 -11.5343 -42.6419 266.749 GPRESSURE: 4936200 -159.383 -286.873 -63.4724 -165.232 344.904 -115.317 61.9116 -25.3753 279.758 PRESSAVG: 4936200 -5.8984 8.48311 24.533 8.48312 43.031 25.4177 24.5331 25.4177 -0.871284 GPRESSAVG: 4936200 -4.27904 7.17274 22.4441 9.69126 41.4373 23.5899 23.0434 26.9268 -0.688452 TIMING: 4936200 CPU: 15411.8, 0.0030968/step Wall: 15411.8, 0.0030968/step, 0.0548821 hours remaining, 233.671875 MB of memory in use. ENERGY: 4936200 4086.5633 20398.4691 14415.2968 228.0700 -203426.2069 2871.6235 0.0000 0.0000 52326.1729 -109100.0114 300.7192 -161426.1842 -108733.0470 299.5496 129.0890 155.0931 761505.9668 12.0871 12.1566 LDB: ============= START OF LOAD BALANCING ============== 15424.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15424.2 LDB: =============== DONE WITH MIGRATION ================ 15424.2 LDB: ============= START OF LOAD BALANCING ============== 15424.5 LDB: Largest compute 7028 load 0.032046 is 16.4% of average load 0.195351 LDB: Average compute 0.004387 is 2.2% of average load 0.195351 LDB: TIME 15424.5 LOAD: AVG 0.195351 MAX 0.217831 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.184 MB LDB: TIME 15424.5 LOAD: AVG 0.195351 MAX 0.217831 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.383 MB LDB: TIME 15424.5 LOAD: AVG 0.195351 MAX 0.217831 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.383 MB LDB: ============== END OF LOAD BALANCING =============== 15424.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15424.6 PRESSURE: 4936400 22.6605 -14.5688 -196.902 -14.5693 358.44 -135.002 -196.901 -135.002 -127.976 GPRESSURE: 4936400 -48.1092 -122.683 -172.453 -12.6165 453.287 -59.0269 -117.515 -141.71 -68.7126 PRESSAVG: 4936400 -0.205303 -33.3056 -59.5892 -33.3055 7.84294 -9.93067 -59.5892 -9.93068 -17.384 GPRESSAVG: 4936400 -0.942098 -33.7188 -56.9146 -35.0106 8.39642 -8.9993 -57.4538 -12.1444 -17.1796 TIMING: 4936400 CPU: 15412.4, 0.0031565/step Wall: 15412.4, 0.0031565/step, 0.0557648 hours remaining, 234.886719 MB of memory in use. ENERGY: 4936400 3987.9463 20690.7377 14492.3099 255.9039 -202814.2633 2347.0360 0.0000 0.0000 51997.7078 -109042.6217 298.8315 -161040.3295 -108675.1998 299.9198 84.3750 112.1550 761699.0575 -3.2488 -3.2418 PRESSURE: 4936600 -228.573 -135.999 -38.208 -135.999 -99.9277 9.98236 -38.2087 9.9827 -12.5978 GPRESSURE: 4936600 -277.692 -238.514 -61.4488 -94.0456 27.7653 -18.6956 -53.9828 -32.0053 -34.4813 PRESSAVG: 4936600 49.2067 13.6246 16.4125 13.6246 20.2901 10.2122 16.4126 10.2123 -9.68307 GPRESSAVG: 4936600 49.6194 14.0601 15.4746 14.7988 20.1776 9.21322 14.7379 10.3229 -10.3658 TIMING: 4936600 CPU: 15413, 0.0031154/step Wall: 15413, 0.0031154/step, 0.0548657 hours remaining, 235.214844 MB of memory in use. ENERGY: 4936600 3999.2155 20639.7029 14469.3230 263.0151 -203161.4475 2329.8205 0.0000 0.0000 52135.8611 -109324.5094 299.6255 -161460.3705 -108959.7648 299.8173 -113.6995 -94.8027 760439.4142 19.9379 19.8104 PRESSURE: 4936800 -83.6847 78.2503 35.9209 78.2505 -81.1828 -183.542 35.9203 -183.542 131.255 GPRESSURE: 4936800 -14.7622 22.5826 28.4974 99.8507 -52.1554 -135.486 122.481 -215.463 122.611 PRESSAVG: 4936800 -14.305 -30.9822 6.10796 -30.9822 3.13431 5.73541 6.1079 5.73544 -5.63967 GPRESSAVG: 4936800 -15.6255 -28.5799 6.07671 -31.6351 3.5195 5.45735 5.69498 6.97521 -4.37824 TIMING: 4936800 CPU: 15413.6, 0.00308292/step Wall: 15413.6, 0.00308292/step, 0.0541224 hours remaining, 235.214844 MB of memory in use. ENERGY: 4936800 4047.7425 20531.5097 14461.0243 249.2102 -203189.9309 2607.2198 0.0000 0.0000 52235.2196 -109058.0048 300.1965 -161293.2244 -108698.3432 300.0292 -11.2042 18.5644 759914.9124 -5.6035 -5.4947 PRESSURE: 4937000 190.8 -72.0865 -15.7714 -72.0871 -270.833 137.962 -15.7712 137.961 -5.0948 GPRESSURE: 4937000 278.526 -8.29063 4.88848 -120.948 -245.413 85.7843 17.9897 164.96 -34.3853 PRESSAVG: 4937000 -1.13646 -27.0304 -20.2386 -27.0304 44.6095 -40.7307 -20.2387 -40.7306 -2.24898 GPRESSAVG: 4937000 -0.200351 -27.7744 -20.7778 -28.7986 44.3416 -41.086 -17.7327 -41.5683 -3.09307 TIMING: 4937000 CPU: 15414.2, 0.00309886/step Wall: 15414.2, 0.00309886/step, 0.05423 hours remaining, 235.214844 MB of memory in use. ENERGY: 4937000 3919.5317 20542.8097 14440.3976 238.4539 -202751.4000 2263.0340 0.0000 0.0000 52120.9335 -109226.2396 299.5397 -161347.1731 -108850.6972 299.8811 -28.3760 -0.4240 761082.3276 13.7413 13.6827 PRESSURE: 4937200 -260.818 -6.35685 308.964 -6.35646 -386.409 -392.317 308.964 -392.316 116.135 GPRESSURE: 4937200 -252.689 86.3062 345.128 54.9956 -366.359 -365.699 403.71 -252.433 180.636 PRESSAVG: 4937200 -54.9597 -12.866 -16.986 -12.866 38.1455 17.0368 -16.986 17.0368 -1.985 GPRESSAVG: 4937200 -54.2715 -14.9995 -16.0504 -10.9606 36.6486 17.7268 -18.7134 17.5849 -0.981493 TIMING: 4937200 CPU: 15414.9, 0.00310401/step Wall: 15414.9, 0.00310401/step, 0.0541477 hours remaining, 235.214844 MB of memory in use. ENERGY: 4937200 3935.2788 20686.5946 14454.2690 259.0877 -202626.2850 2062.7501 0.0000 0.0000 51853.1741 -109375.1306 298.0009 -161228.3048 -109015.9583 299.4399 -177.0308 -146.1372 761704.1480 -6.2664 -6.2015 PRESSURE: 4937400 -532.134 -370.209 -20.8654 -370.208 -10.6869 -147.285 -20.8659 -147.286 -218.61 GPRESSURE: 4937400 -462.744 -379.421 -3.79715 -286.857 -48.2017 -188.384 -62.8931 -46.9859 -169.009 PRESSAVG: 4937400 -18.5283 -45.0334 -2.81905 -45.0334 -3.986 -13.4642 -2.81911 -13.4643 20.8578 GPRESSAVG: 4937400 -18.4156 -44.7287 -2.14508 -43.4989 -4.00455 -13.0695 -3.28629 -12.269 20.4856 TIMING: 4937400 CPU: 15415.5, 0.00308771/step Wall: 15415.5, 0.00308771/step, 0.0536919 hours remaining, 235.199219 MB of memory in use. ENERGY: 4937400 4033.7995 20614.1087 14368.1930 235.6255 -202972.7267 2425.0648 0.0000 0.0000 51769.1000 -109526.8353 297.5177 -161295.9353 -109167.4353 298.7139 -253.8103 -226.6516 764061.3956 -0.5522 -0.6449 PRESSURE: 4937600 139.895 88.338 -147.458 88.3379 202.882 18.7229 -147.458 18.7246 -27.0936 GPRESSURE: 4937600 159.047 -70.693 -167.286 -19.3849 206.657 67.5759 -189.086 27.8736 32.2034 PRESSAVG: 4937600 35.3933 -23.3564 -30.3807 -23.3564 -14.2042 18.3654 -30.3807 18.3654 25.9091 GPRESSAVG: 4937600 33.9435 -23.0643 -31.4964 -25.3206 -12.4849 19.9676 -28.2741 16.9623 25.2386 TIMING: 4937600 CPU: 15416.1, 0.00310371/step Wall: 15416.1, 0.00310371/step, 0.0537976 hours remaining, 235.199219 MB of memory in use. ENERGY: 4937600 3905.1572 20604.1686 14517.6083 251.5937 -203194.8372 2788.1520 0.0000 0.0000 51948.3068 -109179.8507 298.5476 -161128.1574 -108824.8064 299.3296 105.2277 132.6358 763178.3086 15.6994 15.5657 PRESSURE: 4937800 109.581 29.533 148.304 29.5325 54.1453 130.325 148.304 130.326 221.558 GPRESSURE: 4937800 169.307 -57.1738 90.2304 97.4337 117.032 115.612 150.442 331.909 173.915 PRESSAVG: 4937800 -38.7894 -0.104124 9.74884 -0.104141 5.34382 24.743 9.74883 24.743 -10.2068 GPRESSAVG: 4937800 -37.7901 -1.64819 10.2546 2.39743 4.98247 24.183 8.22799 24.3123 -10.611 TIMING: 4937800 CPU: 15416.7, 0.00308434/step Wall: 15416.7, 0.00308434/step, 0.0532906 hours remaining, 235.214844 MB of memory in use. ENERGY: 4937800 3994.1565 20372.0054 14413.6607 243.7914 -203379.7016 2949.6449 0.0000 0.0000 51997.9685 -109408.4741 298.8330 -161406.4427 -109048.0479 299.2857 128.4281 153.4179 762926.8671 -14.5508 -14.4729 PRESSURE: 4938000 -88.7607 -50.8911 -314.332 -50.8916 -145.724 8.89528 -314.332 8.89639 93.0682 GPRESSURE: 4938000 -34.1842 -111.499 -241.954 -29.7437 -74.1692 88.6997 -238.975 10.4245 52.9671 PRESSAVG: 4938000 36.6397 19.832 2.979 19.832 -36.1109 -14.2311 2.97888 -14.2311 -17.8587 GPRESSAVG: 4938000 36.8039 21.5119 1.43546 19.0392 -36.4364 -14.7028 4.3214 -14.0513 -17.2538 TIMING: 4938000 CPU: 15417.3, 0.00309447/step Wall: 15417.3, 0.00309447/step, 0.0532936 hours remaining, 235.214844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4938000 3970.4252 20527.0463 14461.6663 263.5940 -203476.3687 2659.7078 0.0000 0.0000 51954.0641 -109639.8651 298.5807 -161593.9292 -109273.0575 298.3586 -47.1389 -18.4621 762807.8561 -5.7766 -5.6287 PRESSURE: 4938200 122.395 147.414 -170.994 147.414 272.417 8.08751 -170.995 8.0865 -54.0961 GPRESSURE: 4938200 190.701 161.799 -188.083 185.298 223.643 -87.9741 -13.9168 25.0393 17.2811 PRESSAVG: 4938200 7.6937 -15.8583 32.3896 -15.8583 -32.6026 21.3585 32.3896 21.3585 -16.1333 GPRESSAVG: 4938200 7.65457 -15.404 33.2756 -17.9045 -32.743 19.9917 30.3933 21.4967 -16.3084 TIMING: 4938200 CPU: 15418, 0.00309121/step Wall: 15418, 0.00309121/step, 0.0530658 hours remaining, 235.214844 MB of memory in use. ENERGY: 4938200 4020.9982 20426.2680 14425.4998 238.4667 -203296.0573 2527.5317 0.0000 0.0000 51935.1239 -109722.1689 298.4719 -161657.2928 -109366.5639 298.3027 113.5720 143.8748 760979.6362 -13.6807 -13.7990 PRESSURE: 4938400 187.138 52.1772 -104.723 52.178 238.665 29.1914 -104.722 29.1897 56.0203 GPRESSURE: 4938400 312.355 29.5174 -83.8144 51.1773 217.633 50.7994 -76.5571 75.7548 44.8715 PRESSAVG: 4938400 -1.64153 -11.284 7.91804 -11.284 -11.0349 26.0565 7.91804 26.0565 32.9319 GPRESSAVG: 4938400 -1.28932 -9.90336 8.1895 -8.65069 -11.2507 27.7919 9.67097 27.3488 32.9213 TIMING: 4938400 CPU: 15418.6, 0.00310057/step Wall: 15418.6, 0.00310057/step, 0.0530542 hours remaining, 235.214844 MB of memory in use. ENERGY: 4938400 3985.8533 20452.2979 14435.1631 257.5841 -203528.7971 2716.4653 0.0000 0.0000 51812.4894 -109868.9440 297.7671 -161681.4334 -109503.0530 298.1143 160.6076 191.6197 760676.8244 6.7518 6.7938 PRESSURE: 4938600 139.954 -94.9507 236.991 -94.9509 -225.43 122.021 236.991 122.022 -76.2572 GPRESSURE: 4938600 146.689 -223.1 267.853 -61.8099 -215.886 84.9245 248.987 77.4296 -21.8637 PRESSAVG: 4938600 -38.571 -16.5591 8.62677 -16.5591 22.7443 32.1966 8.6267 32.1966 19.962 GPRESSAVG: 4938600 -37.7697 -16.2487 6.51132 -18.3006 21.6512 32.288 9.31327 31.5335 19.76 TIMING: 4938600 CPU: 15419.2, 0.00311467/step Wall: 15419.2, 0.00311467/step, 0.0531224 hours remaining, 235.214844 MB of memory in use. ENERGY: 4938600 3999.0582 20458.2424 14463.3242 251.4016 -203765.9982 2595.0083 0.0000 0.0000 52250.4137 -109748.5497 300.2838 -161998.9634 -109385.3197 298.8368 -53.9112 -30.3535 760574.3074 1.3784 1.2138 PRESSURE: 4938800 113.352 7.68661 -246.046 7.68679 65.4598 114.52 -246.045 114.52 97.3112 GPRESSURE: 4938800 146.115 -99.8096 -217.474 126.433 141.02 19.7869 -113.842 47.3889 72.508 PRESSAVG: 4938800 -63.0477 -25.742 -25.0642 -25.7421 61.4856 22.5473 -25.0641 22.5474 -6.68399 GPRESSAVG: 4938800 -65.2104 -27.197 -25.0528 -25.9702 63.7098 22.4191 -25.455 21.1063 -6.20548 TIMING: 4938800 CPU: 15419.8, 0.0030965/step Wall: 15419.8, 0.0030965/step, 0.0526405 hours remaining, 235.214844 MB of memory in use. ENERGY: 4938800 3956.7527 20412.8878 14400.5630 240.2027 -203523.9235 2695.8938 0.0000 0.0000 51911.7843 -109905.8393 298.3377 -161817.6236 -109539.6555 298.2057 92.0409 119.8810 760299.1178 -2.7487 -2.5687 PRESSURE: 4939000 -25.9271 89.6945 55.9683 89.6941 -290.764 52.8489 55.9677 52.8489 -133.59 GPRESSURE: 4939000 50.2253 27.4778 44.568 58.7368 -243.608 -61.9618 76.653 199.749 -184.838 PRESSAVG: 4939000 -13.6381 -49.8225 -19.1565 -49.8226 3.31569 -7.14814 -19.1564 -7.14813 1.05767 GPRESSAVG: 4939000 -12.1435 -51.375 -17.0307 -49.7492 1.9692 -9.03344 -20.266 -4.89365 0.407131 TIMING: 4939000 CPU: 15420.4, 0.00311097/step Wall: 15420.4, 0.00311097/step, 0.0527136 hours remaining, 235.214844 MB of memory in use. ENERGY: 4939000 4060.7587 20384.3415 14396.5235 250.4317 -203264.7433 2596.0111 0.0000 0.0000 51945.8485 -109630.8282 298.5335 -161576.6767 -109268.6111 298.7531 -150.0936 -126.0734 762450.0294 -3.0883 -3.2557 PRESSURE: 4939200 80.1659 -6.40243 -42.7317 -6.40311 54.8736 26.9257 -42.7318 26.9264 177.036 GPRESSURE: 4939200 126.069 26.9825 26.1839 88.5467 53.151 3.62539 4.2023 140.714 216.138 PRESSAVG: 4939200 -27.7705 -11.9464 3.3451 -11.9465 1.84697 8.31709 3.34516 8.31714 4.29252 GPRESSAVG: 4939200 -27.9865 -10.0667 3.7986 -9.79702 1.37025 11.5392 2.25593 6.84185 4.5373 TIMING: 4939200 CPU: 15421.1, 0.00312467/step Wall: 15421.1, 0.00312467/step, 0.0527721 hours remaining, 235.214844 MB of memory in use. ENERGY: 4939200 3963.9730 20554.3915 14438.1442 254.4147 -203580.5043 2883.6959 0.0000 0.0000 51834.4804 -109651.4047 297.8935 -161485.8851 -109289.6663 298.9895 104.0251 131.7861 762967.8181 -7.2103 -7.3596 PRESSURE: 4939400 -378.22 -91.7542 -50.0809 -91.7548 -179.015 11.6463 -50.0811 11.6463 242.477 GPRESSURE: 4939400 -253.961 -35.5696 -39.6211 -42.4419 -118.847 88.5969 102.877 -60.4797 141.969 PRESSAVG: 4939400 -29.724 31.5179 65.4696 31.5179 9.8968 54.3943 65.4696 54.3943 -0.0114237 GPRESSAVG: 4939400 -30.354 31.4564 65.646 31.7132 10.0231 53.7933 65.8396 54.7149 1.1706 TIMING: 4939400 CPU: 15421.7, 0.00310553/step Wall: 15421.7, 0.00310553/step, 0.0522764 hours remaining, 235.214844 MB of memory in use. ENERGY: 4939400 4034.6999 20406.4157 14434.1104 240.8528 -203394.0508 2694.7854 0.0000 0.0000 52085.1770 -109498.0095 299.3342 -161583.1865 -109140.7650 298.8015 -104.9193 -76.9466 763212.2108 -6.6129 -6.3868 PRESSURE: 4939600 129.426 -0.587867 134.104 -0.587606 -164.898 14.2367 134.104 14.2366 -245.405 GPRESSURE: 4939600 140.386 4.22602 224.881 73.8705 -119.529 100.781 155.457 27.8955 -214.761 PRESSAVG: 4939600 21.885 -7.26627 5.46674 -7.26625 -36.9473 0.36776 5.46676 0.36781 -13.6477 GPRESSAVG: 4939600 21.8502 -7.04302 4.81968 -9.01965 -35.704 -0.211558 7.1216 2.01088 -14.814 TIMING: 4939600 CPU: 15422.3, 0.00310318/step Wall: 15422.3, 0.00310318/step, 0.0520644 hours remaining, 235.214844 MB of memory in use. ENERGY: 4939600 3994.9228 20632.1193 14431.5349 253.4161 -203662.3006 2619.2909 0.0000 0.0000 52118.8152 -109612.2013 299.5275 -161731.0165 -109254.7383 298.7974 -93.6254 -64.6347 760489.6375 -9.5700 -9.5559 PRESSURE: 4939800 88.4718 -240.574 62.5731 -240.573 26.0609 130.508 62.5723 130.507 -369.978 GPRESSURE: 4939800 128.549 -262.195 116.192 -198.765 15.6094 71.4823 -24.666 195.153 -309.51 PRESSAVG: 4939800 -2.73161 -57.0755 60.9497 -57.0754 -19.3409 -51.9542 60.9498 -51.9543 -11.6538 GPRESSAVG: 4939800 -2.83026 -57.5308 61.5653 -57.7246 -20.2352 -53.4166 60.3846 -53.7932 -10.865 TIMING: 4939800 CPU: 15422.9, 0.00310087/step Wall: 15422.9, 0.00310087/step, 0.0518535 hours remaining, 235.199219 MB of memory in use. ENERGY: 4939800 4005.3714 20585.7381 14373.0132 238.6845 -203685.8220 2814.9290 0.0000 0.0000 52068.1518 -109599.9341 299.2364 -161668.0858 -109232.1443 299.3801 -85.1485 -55.1172 761817.1974 -11.2421 -11.3102 PRESSURE: 4940000 242.818 46.601 59.2202 46.6009 -205.354 54.5883 59.2205 54.5898 9.19541 GPRESSURE: 4940000 214.834 2.88655 0.145954 -6.32862 -207.204 55.3165 89.6821 23.4446 110.47 PRESSAVG: 4940000 37.2928 -35.7941 12.6901 -35.7941 -20.8127 -15.7328 12.6901 -15.7329 24.2646 GPRESSAVG: 4940000 35.9268 -35.9172 11.5667 -33.9132 -18.931 -14.9393 12.4662 -17.4475 23.839 TIMING: 4940000 CPU: 15423.6, 0.00310557/step Wall: 15423.6, 0.00310557/step, 0.0517596 hours remaining, 235.199219 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: 4940000 3997.5013 20447.2369 14357.6653 270.5965 -203239.5971 2530.6448 0.0000 0.0000 51908.6517 -109727.3005 298.3197 -161635.9522 -109356.4981 299.0307 15.5530 39.3667 761803.8029 13.5816 13.6116 PRESSURE: 4940200 93.3243 -11.5983 -121.118 -11.5991 452.135 306.05 -121.118 306.049 264.021 GPRESSURE: 4940200 246.361 71.7381 -106.327 28.6052 317.744 317.477 -60.3378 267.976 347.296 PRESSAVG: 4940200 10.3232 42.7305 35.4677 42.7306 -11.5218 -19.5111 35.4677 -19.5111 -0.564786 GPRESSAVG: 4940200 13.1685 44.4184 35.7609 42.092 -14.5562 -20.7757 36.1324 -16.5625 0.0076748 TIMING: 4940200 CPU: 15424.2, 0.00310528/step Wall: 15424.2, 0.00310528/step, 0.0515821 hours remaining, 235.199219 MB of memory in use. ENERGY: 4940200 3942.2628 20389.9161 14401.0619 259.7005 -203750.4265 2961.0495 0.0000 0.0000 52285.7845 -109510.6512 300.4871 -161796.4358 -109137.4237 299.2438 269.8267 303.8002 760330.3713 -0.5878 -0.4600 LDB: ============= START OF LOAD BALANCING ============== 15436.6 LDB: ============== END OF LOAD BALANCING =============== 15436.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15436.7 LDB: ============= START OF LOAD BALANCING ============== 15437 LDB: Largest compute 7077 load 0.031694 is 16.2% of average load 0.195313 LDB: Average compute 0.004388 is 2.2% of average load 0.195313 LDB: TIME 15437 LOAD: AVG 0.195313 MAX 0.219345 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.812 MB LDB: TIME 15437 LOAD: AVG 0.195313 MAX 0.219345 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.816 MB LDB: TIME 15437 LOAD: AVG 0.195313 MAX 0.216768 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.816 MB LDB: ============== END OF LOAD BALANCING =============== 15437 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15437 PRESSURE: 4940400 265.157 -117.305 43.9803 -117.305 -152.787 -78.6526 43.9808 -78.6523 -111.458 GPRESSURE: 4940400 244.495 -169.075 77.9075 27.8755 -68.1421 -152.582 -78.115 43.3896 -95.6302 PRESSAVG: 4940400 32.114 39.9972 8.54284 39.9972 -53.3229 -1.90758 8.54292 -1.90753 21.827 GPRESSAVG: 4940400 30.7452 39.9005 8.26351 38.1839 -51.0412 -0.684515 8.81432 -3.90581 20.9783 TIMING: 4940400 CPU: 15424.8, 0.00316607/step Wall: 15424.8, 0.00316607/step, 0.0524161 hours remaining, 234.886719 MB of memory in use. ENERGY: 4940400 3977.0244 20734.2166 14331.5648 229.1110 -203679.1186 2757.2259 0.0000 0.0000 52158.8663 -109491.1097 299.7577 -161649.9759 -109136.8604 299.4756 0.3041 26.9075 761523.4465 0.2060 0.2274 PRESSURE: 4940600 86.9007 -84.7834 -113.309 -84.7844 -117.837 -27.2914 -113.309 -27.2921 -419.601 GPRESSURE: 4940600 107.883 -107.75 -83.74 -68.4272 -68.5408 2.64834 -148.879 11.0349 -417.867 PRESSAVG: 4940600 28.5279 -9.68008 -48.9877 -9.68004 30.1641 -1.30251 -48.9877 -1.30254 -4.3656 GPRESSAVG: 4940600 29.0221 -9.98784 -48.4752 -9.03912 29.4469 -1.64964 -51.956 0.725065 -4.11642 TIMING: 4940600 CPU: 15425.4, 0.00309128/step Wall: 15425.4, 0.00309128/step, 0.0510061 hours remaining, 234.953125 MB of memory in use. ENERGY: 4940600 4048.5851 20624.4922 14335.3237 246.9732 -203450.6663 2712.3961 0.0000 0.0000 52093.8756 -109389.0203 299.3842 -161482.8959 -109038.7522 299.3279 -150.1788 -126.1748 762054.9949 18.1088 18.1175 PRESSURE: 4940800 68.7651 42.6222 22.603 42.6215 -115.036 54.7351 22.6017 54.7347 313.364 GPRESSURE: 4940800 116.879 10.3711 69.1999 58.5524 -110.299 76.8652 95.8444 -7.64063 342.059 PRESSAVG: 4940800 41.3045 -19.5914 -62.6391 -19.5914 -44.6444 -15.3187 -62.6391 -15.3187 31.6929 GPRESSAVG: 4940800 41.1924 -19.2528 -62.9838 -19.975 -43.8989 -14.7652 -60.3308 -17.0513 30.4579 TIMING: 4940800 CPU: 15426, 0.00311261/step Wall: 15426, 0.00311261/step, 0.0511851 hours remaining, 234.953125 MB of memory in use. ENERGY: 4940800 3991.5958 20631.6631 14396.3802 246.1668 -203267.0328 2662.1307 0.0000 0.0000 52071.3043 -109267.7919 299.2545 -161339.0963 -108922.5181 298.8456 89.0313 116.2132 759689.7181 9.4510 9.2505 PRESSURE: 4941000 223.709 -74.1058 -200.962 -74.1063 228.632 60.8032 -200.963 60.8043 -132.373 GPRESSURE: 4941000 293.219 -47.1544 -195.098 -28.7912 210.751 52.3067 -216.543 161.926 -74.1517 PRESSAVG: 4941000 16.0013 -74.5368 -40.0896 -74.5369 -8.45 10.7622 -40.0897 10.7622 0.902727 GPRESSAVG: 4941000 16.271 -76.4956 -39.6673 -71.8037 -9.79867 11.8969 -40.3722 10.3157 2.16344 TIMING: 4941000 CPU: 15426.7, 0.00310029/step Wall: 15426.7, 0.00310029/step, 0.0508103 hours remaining, 234.953125 MB of memory in use. ENERGY: 4941000 4014.0537 20556.4337 14341.2241 240.1711 -203115.7312 2433.8376 0.0000 0.0000 51961.6861 -109568.3250 298.6245 -161530.0111 -109209.3234 299.0905 106.6561 143.2726 759359.7221 2.8180 2.8786 PRESSURE: 4941200 72.0836 233.845 -97.8736 233.846 141.9 -42.8307 -97.8736 -42.8301 -157.687 GPRESSURE: 4941200 147.329 285.443 6.15758 244.013 90.0651 -19.2404 -64.1722 1.72323 -95.433 PRESSAVG: 4941200 -24.2092 -16.6621 31.6945 -16.6621 50.1843 28.7603 31.6945 28.7603 9.80091 GPRESSAVG: 4941200 -25.2325 -14.3025 32.1936 -18.0198 51.757 26.8447 30.5641 32.3248 9.46624 TIMING: 4941200 CPU: 15427.3, 0.00308517/step Wall: 15427.3, 0.00308517/step, 0.0503911 hours remaining, 234.953125 MB of memory in use. ENERGY: 4941200 4055.1557 20394.0509 14412.7456 240.3567 -203395.0426 2707.7917 0.0000 0.0000 51931.2981 -109653.6440 298.4499 -161584.9420 -109291.4078 298.7435 18.7656 47.3203 758916.8632 11.9253 11.9969 PRESSURE: 4941400 -80.8038 -102.336 -156.093 -102.335 215.919 111.048 -156.093 111.047 376.553 GPRESSURE: 4941400 -17.8461 -87.6137 -219.096 -129.69 284.471 83.1036 -124.198 115.615 324.37 PRESSAVG: 4941400 -51.5505 -36.911 8.07431 -36.9109 66.8499 -4.50128 8.07428 -4.5013 -20.5915 GPRESSAVG: 4941400 -48.6426 -39.285 7.01523 -38.9396 64.5621 -4.54072 8.94645 -6.74995 -20.9922 TIMING: 4941400 CPU: 15427.9, 0.00308406/step Wall: 15427.9, 0.00308406/step, 0.0502016 hours remaining, 234.953125 MB of memory in use. ENERGY: 4941400 3968.1571 20608.3151 14376.9838 243.5075 -203525.1683 2575.6667 0.0000 0.0000 52151.8690 -109600.6691 299.7175 -161752.5381 -109242.4824 298.8425 170.5562 196.9984 758701.3326 -1.7640 -1.6909 PRESSURE: 4941600 262.947 78.7549 134.634 78.7559 -173.289 133.723 134.634 133.723 126.627 GPRESSURE: 4941600 246.446 166.001 180.236 43.1168 -105.863 87.628 211.086 82.0263 163.19 PRESSAVG: 4941600 -20.4835 -60.8035 -12.3307 -60.8035 -4.93903 -14.0828 -12.3307 -14.0827 1.94499 GPRESSAVG: 4941600 -22.8991 -60.0266 -12.2763 -58.5529 -3.07847 -13.0454 -12.5643 -14.4656 2.699 TIMING: 4941600 CPU: 15428.5, 0.00308714/step Wall: 15428.5, 0.00308714/step, 0.0500802 hours remaining, 234.953125 MB of memory in use. ENERGY: 4941600 3974.4280 20560.4706 14421.5696 242.6202 -203276.1200 2714.7442 0.0000 0.0000 51831.2246 -109531.0628 297.8748 -161362.2874 -109175.8882 298.6237 72.0950 101.2575 761153.6064 -7.8258 -7.7595 PRESSURE: 4941800 331.601 63.6722 -113.481 63.6715 -12.9228 -6.50457 -113.481 -6.50453 484.376 GPRESSURE: 4941800 360.585 68.651 0.914904 75.6972 60.1738 -51.7276 -169.029 4.0066 482.425 PRESSAVG: 4941800 39.8189 -65.3566 -26.6235 -65.3566 -61.2374 -26.5886 -26.6234 -26.5886 5.21682 GPRESSAVG: 4941800 40.0658 -64.2385 -27.5262 -65.7565 -61.6561 -27.7142 -27.0806 -27.4545 5.32429 TIMING: 4941800 CPU: 15429.1, 0.00309972/step Wall: 15429.1, 0.00309972/step, 0.0501121 hours remaining, 234.953125 MB of memory in use. ENERGY: 4941800 3940.5792 20603.7129 14409.4795 255.1910 -203670.7201 2691.1286 0.0000 0.0000 52332.2469 -109438.3820 300.7541 -161770.6289 -109072.8623 298.9213 267.6847 301.0611 761454.6075 -5.4006 -5.4220 PRESSURE: 4942000 -122.591 69.9326 -68.9424 69.9322 -7.12105 4.42223 -68.9425 4.42085 121.383 GPRESSURE: 4942000 -75.4975 107.569 -88.7021 105.668 91.723 44.0242 -178.503 -65.6179 40.2728 PRESSAVG: 4942000 -5.57595 -59.5692 -12.904 -59.5692 -22.987 27.8886 -12.904 27.8887 30.5185 GPRESSAVG: 4942000 -5.0433 -60.0903 -12.3725 -58.3033 -22.0686 27.4222 -13.9915 28.4641 29.3865 TIMING: 4942000 CPU: 15429.8, 0.00311529/step Wall: 15429.8, 0.00311529/step, 0.0501908 hours remaining, 234.953125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4942000 3990.9093 20521.0070 14422.8378 227.8786 -203267.0287 2399.0828 0.0000 0.0000 52208.7126 -109496.6006 300.0442 -161705.3133 -109117.5736 299.3114 -2.7763 18.8327 762521.5143 0.6519 0.7582 PRESSURE: 4942200 -214.706 -186.672 -22.2657 -186.671 -118.988 -53.3151 -22.2663 -53.3149 30.4814 GPRESSURE: 4942200 -106.343 -101.342 -76.2169 -90.3482 -152.152 -152.134 -103.207 -128.554 56.157 PRESSAVG: 4942200 60.5667 51.3013 51.5905 51.3013 -29.0088 -14.7568 51.5905 -14.7569 -21.0157 GPRESSAVG: 4942200 60.0451 50.0976 49.8812 54.9149 -30.647 -14.0922 53.9683 -14.6285 -18.9697 TIMING: 4942200 CPU: 15430.4, 0.00310389/step Wall: 15430.4, 0.00310389/step, 0.0498347 hours remaining, 234.953125 MB of memory in use. ENERGY: 4942200 4009.1422 20482.2139 14421.5348 257.1949 -203255.9927 2686.7249 0.0000 0.0000 52151.1316 -109248.0502 299.7133 -161399.1818 -108881.4444 299.6732 -101.0709 -67.4461 764332.1803 3.5141 3.4761 PRESSURE: 4942400 -270.638 -19.6946 -283.908 -19.6946 -115.337 -118.168 -283.908 -118.169 -159.392 GPRESSURE: 4942400 -261.358 35.0165 -290.372 -85.9196 -78.2487 -136.162 -233.992 -96.2448 -120.772 PRESSAVG: 4942400 57.1464 -49.7738 30.7546 -49.7739 -57.8431 -53.3933 30.7546 -53.3933 3.7548 GPRESSAVG: 4942400 57.9649 -51.2503 34.0527 -52.7423 -57.4311 -51.9597 29.9083 -53.387 2.34703 TIMING: 4942400 CPU: 15431, 0.00309859/step Wall: 15431, 0.00309859/step, 0.0495774 hours remaining, 234.953125 MB of memory in use. ENERGY: 4942400 4038.2353 20280.8459 14428.2826 243.1754 -203222.4199 2412.2625 0.0000 0.0000 52368.6510 -109450.9673 300.9634 -161819.6183 -109078.9407 299.3935 -181.7889 -153.4595 761748.7374 1.0194 0.9603 PRESSURE: 4942600 282.367 -18.8371 -1.30391 -18.8367 -212.129 -183.898 -1.30362 -183.899 -49.372 GPRESSURE: 4942600 344.761 -73.4673 16.4302 -33.9223 -232.144 -210.595 -30.951 -175.123 -16.4712 PRESSAVG: 4942600 7.54819 -12.0234 -21.2361 -12.0234 -21.8528 10.6166 -21.236 10.6165 3.46455 GPRESSAVG: 4942600 6.71517 -8.96636 -21.7682 -14.0528 -21.234 9.09959 -20.4426 13.2936 3.97441 TIMING: 4942600 CPU: 15431.6, 0.00309044/step Wall: 15431.6, 0.00309044/step, 0.0492754 hours remaining, 234.953125 MB of memory in use. ENERGY: 4942600 3996.6162 20579.3399 14413.3202 240.1295 -203716.0354 2745.7378 0.0000 0.0000 51932.9794 -109807.9124 298.4595 -161740.8918 -109450.7095 299.0478 6.9554 32.0486 762001.5580 -3.6133 -3.5148 PRESSURE: 4942800 -194.126 131.79 -150.597 131.79 -82.8284 -50.5234 -150.598 -50.5229 -151.924 GPRESSURE: 4942800 -240.555 322.806 -202.701 100.064 -35.1632 -67.638 -24.8363 -31.276 -56.3842 PRESSAVG: 4942800 -32.1102 55.6906 -4.8106 55.6907 50.923 -54.6169 -4.81058 -54.6169 -22.6889 GPRESSAVG: 4942800 -31.8599 55.9634 -6.68285 53.9342 50.643 -52.3086 -4.22333 -57.1049 -22.1663 TIMING: 4942800 CPU: 15432.2, 0.00308897/step Wall: 15432.2, 0.00308897/step, 0.0490804 hours remaining, 234.953125 MB of memory in use. ENERGY: 4942800 3970.6504 20514.3280 14403.7850 260.8984 -203661.4487 2891.7836 0.0000 0.0000 51854.4850 -109765.5184 298.0084 -161620.0033 -109410.2219 298.0864 -142.9594 -110.7007 762825.3466 -1.2920 -1.1277 PRESSURE: 4943000 320.035 26.2403 260.568 26.2403 189.799 152.163 260.568 152.163 206.382 GPRESSURE: 4943000 374.949 79.7007 279.19 11.7399 282.099 160.674 190.829 53.2435 145.583 PRESSAVG: 4943000 -60.2818 23.0708 -15.3878 23.0708 15.535 -61.1273 -15.3879 -61.1273 34.06 GPRESSAVG: 4943000 -59.3545 20.6508 -14.2653 27.5311 15.2724 -62.1188 -16.3078 -62.496 33.1382 TIMING: 4943000 CPU: 15432.9, 0.00308927/step Wall: 15432.9, 0.00308927/step, 0.0489135 hours remaining, 234.953125 MB of memory in use. ENERGY: 4943000 3932.2359 20533.4040 14388.4256 250.2080 -203468.6945 2696.5587 0.0000 0.0000 52069.7341 -109598.1283 299.2455 -161667.8624 -109235.9936 298.2180 238.7384 267.5435 761938.0790 -3.5623 -3.6480 PRESSURE: 4943200 -193.836 121.781 121.844 121.781 222.447 -16.294 121.844 -16.2935 111.396 GPRESSURE: 4943200 -224.767 4.49914 2.34356 41.6716 308.926 -10.7488 160.03 57.9804 129.714 PRESSAVG: 4943200 -46.2641 22.8734 0.0583081 22.8734 96.4551 -31.9529 0.058268 -31.9528 -31.9775 GPRESSAVG: 4943200 -46.5325 23.7449 -0.334993 18.9221 96.9887 -33.71 1.92039 -30.8283 -32.2939 TIMING: 4943200 CPU: 15433.5, 0.00310092/step Wall: 15433.5, 0.00310092/step, 0.0489256 hours remaining, 234.953125 MB of memory in use. ENERGY: 4943200 3949.1074 20256.7062 14379.7575 282.9393 -203559.4302 2850.2376 0.0000 0.0000 52088.5804 -109752.1018 299.3538 -161840.6822 -109379.2341 298.6018 46.6690 71.2909 761819.5410 6.0712 6.0541 PRESSURE: 4943400 -69.2835 -69.4536 -16.7798 -69.4548 -268.413 -73.036 -16.7794 -73.0353 -36.6216 GPRESSURE: 4943400 -3.2915 -54.0313 -126.836 148.734 -193.724 -70.8686 137.341 -58.3068 -107.026 PRESSAVG: 4943400 -34.8404 37.4064 -34.3365 37.4065 16.0176 -38.6026 -34.3366 -38.6026 10.0178 GPRESSAVG: 4943400 -34.523 37.1459 -34.1148 38.3035 15.723 -40.5019 -34.4101 -36.9545 9.96566 TIMING: 4943400 CPU: 15434.1, 0.00310766/step Wall: 15434.1, 0.00310766/step, 0.0488594 hours remaining, 234.953125 MB of memory in use. ENERGY: 4943400 3989.3632 20588.6060 14382.6160 236.6709 -203749.3961 2970.0207 0.0000 0.0000 51970.1645 -109611.9548 298.6732 -161582.1193 -109245.0905 298.6803 -124.7728 -101.3472 761967.7525 -2.9350 -2.9448 PRESSURE: 4943600 -479.005 161.109 0.154626 161.109 -329.89 -225.193 0.155345 -225.193 -234.237 GPRESSURE: 4943600 -496.586 163.327 6.9825 161.516 -279.122 -215.052 73.0268 -109.687 -206.38 PRESSAVG: 4943600 1.16099 43.4493 -13.8009 43.4493 -38.0305 8.43258 -13.801 8.43255 4.17084 GPRESSAVG: 4943600 0.469843 43.1554 -13.6795 42.9637 -36.5846 11.8541 -14.864 8.04098 3.79452 TIMING: 4943600 CPU: 15434.7, 0.00309732/step Wall: 15434.7, 0.00309732/step, 0.0485247 hours remaining, 234.953125 MB of memory in use. ENERGY: 4943600 4006.0766 20456.7380 14382.3845 243.5027 -203044.3948 2537.7486 0.0000 0.0000 51835.8553 -109582.0891 297.9014 -161417.9444 -109219.9237 298.4714 -347.7107 -327.3629 763809.1266 -10.8996 -10.7734 PRESSURE: 4943800 -249.102 40.7469 214.417 40.7461 -274.197 70.5732 214.417 70.5725 -502.223 GPRESSURE: 4943800 -214.211 25.2977 274.233 91.899 -274.551 29.1902 271.951 114.84 -432.109 PRESSAVG: 4943800 -17.8516 0.142843 28.2803 0.142778 17.6492 -41.4537 28.2803 -41.4538 19.3347 GPRESSAVG: 4943800 -17.0874 -0.458149 29.4664 -0.311395 16.7606 -42.4275 26.549 -40.7858 19.2803 TIMING: 4943800 CPU: 15435.3, 0.00308733/step Wall: 15435.3, 0.00308733/step, 0.0481967 hours remaining, 234.953125 MB of memory in use. ENERGY: 4943800 3951.6256 20352.0664 14403.3827 269.8771 -203126.3869 2435.8310 0.0000 0.0000 51847.1260 -109866.4781 297.9661 -161713.6041 -109507.2349 298.1537 -341.8407 -306.9570 763033.6276 6.3775 6.3178 PRESSURE: 4944000 59.0323 -181.239 36.7831 -181.24 223.166 -3.58841 36.7836 -3.58855 105.153 GPRESSURE: 4944000 91.3013 -214.647 18.0688 -138.362 238.882 15.589 -44.0538 37.1155 152.149 PRESSAVG: 4944000 -8.43201 -57.3459 65.2754 -57.3459 8.58236 6.33451 65.2754 6.33455 8.04188 GPRESSAVG: 4944000 -8.66257 -57.2261 65.4562 -56.2517 8.22747 5.2682 65.3116 5.74372 8.6799 TIMING: 4944000 CPU: 15436, 0.00309537/step Wall: 15436, 0.00309537/step, 0.0481502 hours remaining, 234.953125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4944000 3960.6954 20455.6140 14393.7391 244.2491 -203578.5528 2822.2330 0.0000 0.0000 52108.2479 -109593.7744 299.4668 -161702.0222 -109226.6854 298.3932 129.1168 160.7774 761965.4604 2.7307 2.7483 PRESSURE: 4944200 472.496 -57.0922 234.776 -57.0922 165.98 135.956 234.776 135.955 258.915 GPRESSURE: 4944200 457.36 12.6735 253.236 -58.1714 203.248 135.745 149.193 -17.7521 317.655 PRESSAVG: 4944200 42.2778 -8.43119 14.2459 -8.43115 -48.3457 -7.12946 14.246 -7.12949 -17.1302 GPRESSAVG: 4944200 43.0366 -8.76478 13.9717 -9.37038 -48.9978 -5.6156 15.4976 -9.44621 -16.9108 TIMING: 4944200 CPU: 15436.6, 0.00309405/step Wall: 15436.6, 0.00309405/step, 0.0479578 hours remaining, 234.953125 MB of memory in use. ENERGY: 4944200 4018.8888 20528.0002 14458.9120 249.2724 -203680.2022 2908.5908 0.0000 0.0000 51907.5263 -109609.0117 298.3133 -161516.5380 -109247.7594 298.4834 299.1305 326.0876 760616.5984 -7.7327 -7.6240 LDB: ============= START OF LOAD BALANCING ============== 15449 LDB: ============== END OF LOAD BALANCING =============== 15449 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15449 LDB: ============= START OF LOAD BALANCING ============== 15449.4 LDB: Largest compute 7027 load 0.029665 is 15.2% of average load 0.195382 LDB: Average compute 0.004374 is 2.2% of average load 0.195382 LDB: TIME 15449.4 LOAD: AVG 0.195382 MAX 0.216044 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.664 MB LDB: TIME 15449.4 LOAD: AVG 0.195382 MAX 0.216044 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.664 MB LDB: TIME 15449.4 LOAD: AVG 0.195382 MAX 0.216044 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.664 MB LDB: ============== END OF LOAD BALANCING =============== 15449.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15449.4 PRESSURE: 4944400 220.147 -89.0369 75.3303 -89.0366 -465.693 -85.3994 75.3309 -85.4001 164.663 GPRESSURE: 4944400 282.619 -107.517 43.6399 -15.1739 -445.561 -125.511 185.308 -78.1664 158.418 PRESSAVG: 4944400 64.6514 -24.067 17.3622 -24.067 -54.2776 -19.0593 17.3622 -19.0594 -1.97695 GPRESSAVG: 4944400 64.3705 -23.2868 15.777 -21.0394 -53.3161 -21.0175 18.6554 -17.7353 -2.93777 TIMING: 4944400 CPU: 15437.2, 0.00315505/step Wall: 15437.2, 0.00315505/step, 0.048728 hours remaining, 234.882812 MB of memory in use. ENERGY: 4944400 3943.8818 20547.3010 14463.9741 265.6233 -203035.4383 2306.8021 0.0000 0.0000 51798.6266 -109709.2294 297.6874 -161507.8561 -109347.5320 298.9392 -26.9610 -1.5079 761244.6502 2.7990 2.7055 PRESSURE: 4944600 -287.975 33.561 -116.406 33.5606 -3.66042 -50.258 -116.405 -50.2584 -219.717 GPRESSURE: 4944600 -298.164 -50.7029 -161.619 -40.1661 -11.489 -72.9118 -120.375 13.3254 -123.816 PRESSAVG: 4944600 27.1143 18.1978 -31.1337 18.1978 -38.258 -20.9553 -31.1337 -20.9553 -17.0096 GPRESSAVG: 4944600 26.4948 16.6859 -31.621 16.5379 -39.4936 -19.4325 -33.4343 -21.6308 -15.766 TIMING: 4944600 CPU: 15437.8, 0.00309333/step Wall: 15437.8, 0.00309333/step, 0.0476029 hours remaining, 235.218750 MB of memory in use. ENERGY: 4944600 4016.3622 20492.3290 14350.6441 265.8475 -203416.5858 2627.9023 0.0000 0.0000 51778.5467 -109884.9540 297.5720 -161663.5007 -109534.8345 298.5924 -170.4510 -144.4896 761510.6388 -9.3844 -9.5883 PRESSURE: 4944800 -30.1175 -59.6743 -82.2141 -59.6743 -6.83368 297.021 -82.2138 297.021 118.786 GPRESSURE: 4944800 19.3079 -54.8158 -105.064 -110.003 54.0573 273.976 -46.7525 202.064 91.3309 PRESSAVG: 4944800 -9.15834 16.984 -6.04679 16.984 41.3704 -20.9306 -6.04678 -20.9305 13.5521 GPRESSAVG: 4944800 -8.0844 19.8569 -5.09841 16.3945 41.9583 -21.8472 -4.49318 -22.1503 12.4393 TIMING: 4944800 CPU: 15438.4, 0.00309248/step Wall: 15438.4, 0.00309248/step, 0.047418 hours remaining, 235.218750 MB of memory in use. ENERGY: 4944800 3976.5159 20378.0865 14437.7114 246.2145 -203666.8326 2704.6313 0.0000 0.0000 51921.9609 -110001.7122 298.3962 -161923.6731 -109625.7067 298.1922 27.2781 54.8987 761466.0635 15.2547 15.4377 PRESSURE: 4945000 172.688 35.0664 88.2059 35.0668 -196.891 -104.383 88.2059 -104.383 298.319 GPRESSURE: 4945000 211.384 -28.3842 174.643 226.473 -176.74 -63.5022 87.6377 -38.9696 297.101 PRESSAVG: 4945000 22.7065 39.5749 35.1144 39.5749 -34.0302 -13.7203 35.1143 -13.7203 8.0022 GPRESSAVG: 4945000 21.9161 35.149 35.0973 40.966 -34.2348 -13.1781 33.9664 -11.4082 8.8335 TIMING: 4945000 CPU: 15439.1, 0.00308944/step Wall: 15439.1, 0.00308944/step, 0.0471998 hours remaining, 235.343750 MB of memory in use. ENERGY: 4945000 3934.6844 20311.8981 14377.8338 253.0915 -203279.6716 2623.8697 0.0000 0.0000 51961.1836 -109817.1106 298.6216 -161778.2942 -109463.4575 298.4588 91.3719 110.5815 760967.9200 -1.1072 -1.1617 PRESSURE: 4945200 11.6457 393.931 128.913 393.932 -471.618 -76.0182 128.913 -76.0177 89.7528 GPRESSURE: 4945200 -35.3198 299.677 163.556 299.651 -341.398 -51.8244 70.7171 -88.7493 82.8958 PRESSAVG: 4945200 22.4872 57.6636 -23.4056 57.6637 -2.20714 -18.1967 -23.4056 -18.1966 6.77446 GPRESSAVG: 4945200 23.5506 60.1771 -24.3503 57.1385 -3.15644 -17.3917 -24.1384 -17.4242 6.09328 TIMING: 4945200 CPU: 15439.7, 0.00311055/step Wall: 15439.7, 0.00311055/step, 0.0473495 hours remaining, 235.343750 MB of memory in use. ENERGY: 4945200 3900.8452 20438.2587 14324.4059 256.6476 -203441.4647 2558.8657 0.0000 0.0000 52131.2029 -109831.2386 299.5987 -161962.4415 -109468.5839 298.0642 -123.4064 -97.9405 764040.5271 9.0182 8.8291 PRESSURE: 4945400 -10.4549 25.0188 -146.31 25.0183 -90.3727 3.37666 -146.31 3.37703 -166.03 GPRESSURE: 4945400 -20.6665 2.98353 -196.208 127.307 -76.35 21.6423 -8.27367 -4.75662 -69.1012 PRESSAVG: 4945400 7.71876 43.0869 30.857 43.087 23.9163 22.3588 30.857 22.3588 -3.55241 GPRESSAVG: 4945400 7.14796 44.6843 32.6032 41.9655 24.952 20.6404 30.5823 21.2163 -3.30979 TIMING: 4945400 CPU: 15440.3, 0.00310316/step Wall: 15440.3, 0.00310316/step, 0.0470646 hours remaining, 235.355469 MB of memory in use. ENERGY: 4945400 4034.6220 20447.2987 14391.5370 236.7523 -204025.1801 2920.6719 0.0000 0.0000 52152.7363 -109841.5619 299.7225 -161994.2982 -109486.4233 298.4746 -88.9524 -55.3726 761018.7140 9.3609 9.5967 PRESSURE: 4945600 -175.892 -153.704 -202.599 -153.704 -136.421 37.3817 -202.6 37.3815 -322.686 GPRESSURE: 4945600 -208.904 -208.399 -103.957 -144.279 -27.4613 63.7707 -192.967 -20.3252 -333.435 PRESSAVG: 4945600 18.7563 -18.5057 29.1066 -18.5056 13.2056 18.0288 29.1066 18.0288 9.16171 GPRESSAVG: 4945600 18.8791 -18.8461 27.9371 -18.0484 13.7044 19.6537 31.8749 16.5513 8.67853 TIMING: 4945600 CPU: 15440.9, 0.00310106/step Wall: 15440.9, 0.00310106/step, 0.0468605 hours remaining, 235.355469 MB of memory in use. ENERGY: 4945600 3953.9738 20497.9136 14430.4250 249.0355 -203378.8840 2401.0765 0.0000 0.0000 51790.9303 -110055.5292 297.6432 -161846.4595 -109683.8854 297.8916 -211.6661 -189.9334 761780.7420 13.7079 13.7540 PRESSURE: 4945800 -60.478 -133.972 89.7245 -133.972 -415.003 122.857 89.7247 122.857 62.1682 GPRESSURE: 4945800 -108.864 -104.477 148.185 -69.7415 -271.476 177.195 128.175 158.398 49.0226 PRESSAVG: 4945800 -18.6537 -33.7063 -8.56118 -33.7063 19.1494 -41.069 -8.56117 -41.0691 17.3868 GPRESSAVG: 4945800 -17.6525 -33.1884 -8.248 -33.0727 18.313 -40.7627 -8.84754 -39.3578 17.0772 TIMING: 4945800 CPU: 15441.5, 0.00309105/step Wall: 15441.5, 0.00309105/step, 0.0465374 hours remaining, 235.355469 MB of memory in use. ENERGY: 4945800 4001.7623 20364.6492 14465.0755 250.6434 -203216.8390 2443.2297 0.0000 0.0000 51613.9474 -110077.5314 296.6261 -161691.4788 -109721.4980 297.5067 -137.7709 -110.4392 762399.3144 5.9608 5.9126 PRESSURE: 4946000 -431.072 83.2446 138.824 83.2458 -185.827 -223.473 138.824 -223.472 -373.062 GPRESSURE: 4946000 -222.422 88.8402 133.884 29.2402 -279.919 -312.226 107.752 -242.901 -393.856 PRESSAVG: 4946000 -3.75056 15.873 -19.6988 15.8731 0.878286 34.1615 -19.6988 34.1614 -6.9463 GPRESSAVG: 4946000 -3.2866 14.1265 -19.1399 16.1122 0.328844 32.6672 -19.8234 33.5829 -6.74353 TIMING: 4946000 CPU: 15442.2, 0.00310128/step Wall: 15442.2, 0.00310128/step, 0.0465192 hours remaining, 235.355469 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: 4946000 3953.5115 20494.2033 14412.0719 251.3998 -203473.3066 2426.7511 0.0000 0.0000 51791.3598 -110144.0093 297.6457 -161935.3691 -109776.8813 297.8133 -329.9870 -298.7323 762463.4764 -3.2729 -3.2338 PRESSURE: 4946200 105.79 131.905 -11.4655 131.906 -143.192 96.2971 -11.4643 96.2964 215.748 GPRESSURE: 4946200 123.12 68.9802 -46.629 107.226 -26.5621 171.837 -41.7715 -11.4658 181.022 PRESSAVG: 4946200 6.37726 -15.6072 44.2313 -15.6073 -22.9994 6.99989 44.2313 6.99992 -24.1175 GPRESSAVG: 4946200 6.28919 -14.4304 43.7822 -16.0264 -23.5451 7.23569 43.8398 4.56162 -23.2203 TIMING: 4946200 CPU: 15442.8, 0.00310491/step Wall: 15442.8, 0.00310492/step, 0.0464012 hours remaining, 235.355469 MB of memory in use. ENERGY: 4946200 3942.1254 20561.5751 14336.5837 246.0218 -203955.4502 3037.6666 0.0000 0.0000 51741.5057 -110089.9720 297.3591 -161831.4777 -109726.5265 297.3488 59.4487 92.5268 762803.4381 -13.5799 -13.4921 PRESSURE: 4946400 -13.4718 -141.528 -242.175 -141.529 161.59 79.3955 -242.175 79.3968 272.047 GPRESSURE: 4946400 -12.3896 -78.7365 -244.794 -5.69249 240.556 118.355 -7.30646 74.0449 268.607 PRESSAVG: 4946400 -10.7669 -41.938 -14.9411 -41.938 21.5231 -11.1013 -14.9412 -11.1012 4.28206 GPRESSAVG: 4946400 -11.5334 -40.4901 -14.4503 -43.3568 23.0301 -10.7247 -15.225 -7.9545 3.87162 TIMING: 4946400 CPU: 15443.4, 0.00311134/step Wall: 15443.4, 0.00311134/step, 0.0463244 hours remaining, 235.355469 MB of memory in use. ENERGY: 4946400 3896.4065 20404.2154 14305.1307 250.1510 -203614.9736 2733.7649 0.0000 0.0000 51891.1689 -110134.1362 298.2193 -162025.3051 -109771.2315 297.8691 140.0553 165.5910 761712.6820 5.0128 5.1228 PRESSURE: 4946600 -105.494 13.2177 -205.453 13.2187 -111.868 -173.559 -205.453 -173.558 -190.038 GPRESSURE: 4946600 -91.1923 42.292 -191.381 33.6502 -88.3992 -185.589 -118.153 -181.632 -124.29 PRESSAVG: 4946600 -6.46829 -18.5548 -18.2825 -18.5549 -29.3798 -4.77491 -18.2825 -4.7749 4.3757 GPRESSAVG: 4946600 -6.35316 -21.5184 -18.1611 -16.9554 -30.9618 -4.7797 -17.4286 -5.11457 5.25923 TIMING: 4946600 CPU: 15444, 0.00309457/step Wall: 15444, 0.00309457/step, 0.0459028 hours remaining, 235.355469 MB of memory in use. ENERGY: 4946600 3999.0011 20378.4253 14415.8666 238.5533 -203485.7604 2515.2613 0.0000 0.0000 51868.6015 -110070.0515 298.0896 -161938.6530 -109702.2359 297.7785 -135.7999 -101.2938 762117.4270 -10.4908 -10.6853 PRESSURE: 4946800 -192.768 -20.299 -3.86485 -20.2985 -194.466 37.6859 -3.86377 37.6861 -197.225 GPRESSURE: 4946800 -245.3 36.3355 -9.21314 -41.1181 -51.7203 85.104 -27.1577 69.9146 -198.152 PRESSAVG: 4946800 -14.0177 29.2093 17.1094 29.2093 15.7038 -53.3378 17.1094 -53.3378 6.97993 GPRESSAVG: 4946800 -14.8303 31.9516 16.9455 28.8062 17.6168 -55.0474 16.4364 -52.1641 6.34194 TIMING: 4946800 CPU: 15444.6, 0.00309731/step Wall: 15444.6, 0.00309731/step, 0.0457714 hours remaining, 235.355469 MB of memory in use. ENERGY: 4946800 4042.8752 20456.3106 14456.2513 232.6117 -203578.1268 2636.6908 0.0000 0.0000 51802.5412 -109950.8459 297.7099 -161753.3871 -109586.5658 297.5803 -194.8197 -165.0572 760287.0307 2.8887 3.0428 PRESSURE: 4947000 -55.4019 -96.3202 7.55812 -96.3206 -128.776 57.0148 7.55661 57.0146 226.112 GPRESSURE: 4947000 105.828 -9.12046 -1.06628 -77.5229 -98.2024 151.805 -19.3188 96.7778 97.2413 PRESSAVG: 4947000 -19.5695 -4.50065 22.2977 -4.50061 19.9884 28.6299 22.2977 28.63 -21.2736 GPRESSAVG: 4947000 -19.3379 -5.86054 21.3417 -6.95074 19.5732 29.1647 20.5994 30.0298 -21.0328 TIMING: 4947000 CPU: 15445.3, 0.00309026/step Wall: 15445.3, 0.00309026/step, 0.0454955 hours remaining, 235.355469 MB of memory in use. ENERGY: 4947000 3948.7946 20447.2088 14434.8435 244.8870 -203238.6598 2511.0535 0.0000 0.0000 51952.6655 -109699.2069 298.5727 -161651.8724 -109341.4526 298.5662 13.9783 34.9557 762117.9694 -6.9516 -6.9325 PRESSURE: 4947200 -141.347 64.307 -187.186 64.3068 440.298 -64.7873 -187.186 -64.7866 -269.264 GPRESSURE: 4947200 -132.819 139.439 -184.898 25.6755 472.349 -75.2661 -105.727 -87.923 -233.858 PRESSAVG: 4947200 -27.7873 8.80267 55.0966 8.80265 52.8094 -10.0221 55.0966 -10.0222 -2.37867 GPRESSAVG: 4947200 -27.8635 10.1086 55.1237 9.80852 53.1145 -11.4744 55.6876 -11.2505 -1.77109 TIMING: 4947200 CPU: 15445.9, 0.00309015/step Wall: 15445.9, 0.00309015/step, 0.0453222 hours remaining, 235.355469 MB of memory in use. ENERGY: 4947200 3937.5843 20548.0114 14365.8590 250.3808 -203728.5403 2801.5603 0.0000 0.0000 52067.8442 -109757.3004 299.2346 -161825.1446 -109387.6660 298.2014 9.8955 35.2238 761267.6792 7.5478 7.8267 PRESSURE: 4947400 -26.1807 143.401 78.667 143.401 -151.152 52.6491 78.6667 52.6503 -399.928 GPRESSURE: 4947400 -8.16156 114.311 49.2925 99.2023 -39.2659 7.08268 161.422 118.506 -420.053 PRESSAVG: 4947400 -33.3273 32.7655 16.5906 32.7656 -29.4937 -30.9283 16.5907 -30.9283 3.62357 GPRESSAVG: 4947400 -32.6401 32.8982 18.3834 33.8966 -29.3508 -29.2131 16.2172 -30.2104 2.96119 TIMING: 4947400 CPU: 15446.5, 0.00309604/step Wall: 15446.5, 0.00309604/step, 0.0452366 hours remaining, 235.355469 MB of memory in use. ENERGY: 4947400 4020.6962 20392.2504 14361.6910 251.5426 -203446.8868 2681.8918 0.0000 0.0000 51890.9772 -109847.8376 298.2182 -161738.8148 -109486.7637 298.4040 -192.4201 -155.8269 762668.6551 -19.7325 -19.6766 PRESSURE: 4947600 -154.954 -27.2416 123.204 -27.2411 -475.278 127.704 123.204 127.704 -210.435 GPRESSURE: 4947600 -205.943 47.3163 122.581 51.5183 -414.211 77.3274 -26.7377 -4.45233 -131.167 PRESSAVG: 4947600 7.93168 21.6088 70.3911 21.6088 -24.5506 -24.4706 70.3911 -24.4706 -0.923873 GPRESSAVG: 4947600 8.54245 21.9285 69.0538 20.7996 -25.57 -24.0071 71.2295 -26.1038 -0.990697 TIMING: 4947600 CPU: 15447.1, 0.00310424/step Wall: 15447.1, 0.00310424/step, 0.0451839 hours remaining, 235.355469 MB of memory in use. ENERGY: 4947600 4020.9294 20611.3003 14357.5064 244.7865 -203650.0879 2719.3551 0.0000 0.0000 51716.2082 -109980.0019 297.2138 -161696.2101 -109615.1983 297.3089 -280.2223 -250.4405 764298.4476 -5.8476 -6.0061 PRESSURE: 4947800 -41.6817 19.3503 74.6575 19.3504 -198.607 -123.054 74.6583 -123.055 -109.395 GPRESSURE: 4947800 -78.8571 27.0834 179.051 29.6536 -146.186 -54.0335 39.4759 -116.111 -37.8201 PRESSAVG: 4947800 -0.744122 20.5573 -24.1381 20.5574 15.6941 -5.66145 -24.138 -5.66143 -6.14233 GPRESSAVG: 4947800 -1.40086 20.0913 -23.8848 19.7669 15.7638 -5.72855 -26.3265 -3.02771 -5.19208 TIMING: 4947800 CPU: 15447.7, 0.0030887/step Wall: 15447.7, 0.0030887/step, 0.0447862 hours remaining, 235.355469 MB of memory in use. ENERGY: 4947800 3980.7798 20391.7771 14397.6575 247.0393 -203135.1390 2507.5741 0.0000 0.0000 51808.8153 -109801.4958 297.7460 -161610.3112 -109434.9441 297.4672 -116.5613 -87.6209 765072.6279 2.9359 3.0570 PRESSURE: 4948000 33.4822 -43.7687 -78.5358 -43.7687 -461.911 70.2307 -78.5358 70.2311 262.447 GPRESSURE: 4948000 53.7124 -2.69239 -41.397 -14.4405 -304.106 75.3477 -133.28 -17.8975 184.974 PRESSAVG: 4948000 -25.8507 -6.02944 -19.2512 -6.02943 -13.4854 13.9282 -19.2512 13.9283 -12.4897 GPRESSAVG: 4948000 -24.4356 -6.89678 -18.3847 -5.60467 -13.0669 13.6953 -17.403 12.2147 -14.3322 TIMING: 4948000 CPU: 15448.4, 0.00308943/step Wall: 15448.4, 0.00308943/step, 0.0446251 hours remaining, 235.355469 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: 4948000 3953.5377 20486.6173 14386.5689 243.6638 -203544.0232 2775.8264 0.0000 0.0000 51989.9954 -109707.8136 298.7872 -161697.8090 -109346.8815 298.0356 -55.3274 -21.8064 762327.0336 -17.2752 -17.2782 PRESSURE: 4948200 32.0228 190.904 28.8182 190.904 317.318 7.75794 28.8188 7.75827 264.495 GPRESSURE: 4948200 77.4416 158.141 45.1101 97.4616 378.45 67.258 64.6628 -56.1702 260.106 PRESSAVG: 4948200 26.7972 -18.726 58.3108 -18.726 8.1849 50.7746 58.3108 50.7747 15.5703 GPRESSAVG: 4948200 25.3076 -17.8794 56.4666 -19.995 8.18522 51.2132 57.0852 50.8521 16.8597 TIMING: 4948200 CPU: 15449, 0.00309614/step Wall: 15449, 0.00309614/step, 0.04455 hours remaining, 235.355469 MB of memory in use. ENERGY: 4948200 4125.5043 20408.9005 14389.4877 254.4716 -204171.6586 3326.5954 0.0000 0.0000 52050.7551 -109615.9441 299.1364 -161666.6992 -109262.8192 298.2034 204.6119 238.6658 761229.8235 16.8508 16.7842 LDB: ============= START OF LOAD BALANCING ============== 15461.4 LDB: ============== END OF LOAD BALANCING =============== 15461.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15461.5 LDB: ============= START OF LOAD BALANCING ============== 15461.8 LDB: Largest compute 7045 load 0.031903 is 16.3% of average load 0.195329 LDB: Average compute 0.004372 is 2.2% of average load 0.195329 LDB: TIME 15461.8 LOAD: AVG 0.195329 MAX 0.214823 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.598 MB LDB: TIME 15461.8 LOAD: AVG 0.195329 MAX 0.214823 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.676 MB LDB: TIME 15461.8 LOAD: AVG 0.195329 MAX 0.214823 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.676 MB LDB: ============== END OF LOAD BALANCING =============== 15461.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15461.8 PRESSURE: 4948400 -308.657 28.289 -176.18 28.2897 76.4146 99.9669 -176.181 99.9675 -111.076 GPRESSURE: 4948400 -201.144 67.9606 -95.6658 99.2185 61.655 87.0809 -252.496 109.375 -106.767 PRESSAVG: 4948400 60.451 -21.8322 47.0052 -21.8323 -49.6132 45.7976 47.0052 45.7975 -6.30975 GPRESSAVG: 4948400 61.4085 -21.1135 48.0911 -20.8351 -50.9188 45.3582 47.6923 45.6836 -6.52557 TIMING: 4948400 CPU: 15449.6, 0.00315889/step Wall: 15449.6, 0.00315889/step, 0.0452774 hours remaining, 234.058594 MB of memory in use. ENERGY: 4948400 3990.7684 20439.7457 14386.9089 243.5342 -203461.9438 2838.0269 0.0000 0.0000 51975.1946 -109587.7650 298.7022 -161562.9596 -109219.7793 298.0169 -114.4396 -82.0852 762265.8409 1.5094 1.3214 PRESSURE: 4948600 378.766 -121.676 110.542 -121.676 -94.0292 171.667 110.543 171.667 449.293 GPRESSURE: 4948600 384.827 -80.7897 52.1406 -195.709 -105.084 188.222 -38.1446 159.24 548.702 PRESSAVG: 4948600 70.9797 5.23245 29.1518 5.23248 -14.2967 -5.45499 29.1519 -5.45503 -3.04131 GPRESSAVG: 4948600 69.4662 3.21485 29.6695 7.76663 -13.1337 -5.76246 27.8493 -2.9527 -3.47061 TIMING: 4948600 CPU: 15450.2, 0.00307967/step Wall: 15450.2, 0.00307967/step, 0.0439709 hours remaining, 234.058594 MB of memory in use. ENERGY: 4948600 3997.9580 20466.4643 14361.0204 250.3179 -203347.0821 2856.1740 0.0000 0.0000 52074.6210 -109340.5265 299.2736 -161415.1475 -108978.1398 298.7192 244.6767 276.1486 761802.0648 17.8806 17.6206 PRESSURE: 4948800 -8.4933 35.4945 29.2258 35.4939 290.011 234.218 29.2271 234.22 -194.016 GPRESSURE: 4948800 62.499 61.8951 -1.32171 52.4195 344.164 211.456 17.9176 92.1293 -228.982 PRESSAVG: 4948800 48.8786 -13.1664 65.8415 -13.1665 -43.0675 18.6662 65.8415 18.6662 -1.93663 GPRESSAVG: 4948800 48.9064 -13.1164 65.0591 -16.6732 -43.7578 17.2869 68.7954 14.3592 -0.868284 TIMING: 4948800 CPU: 15450.8, 0.00310377/step Wall: 15450.8, 0.00310377/step, 0.0441424 hours remaining, 234.320312 MB of memory in use. ENERGY: 4948800 4019.8156 20661.1820 14411.3368 247.0429 -202845.6215 2580.2630 0.0000 0.0000 51791.8263 -109134.1549 297.6483 -160925.9812 -108768.4311 299.2029 29.1672 59.2269 762363.4474 1.2915 1.4268 PRESSURE: 4949000 -294.037 -53.0552 -288.234 -53.0548 -202.109 100.536 -288.233 100.535 105.633 GPRESSURE: 4949000 -281.478 -39.9349 -142.379 14.1086 -123.771 105.368 -224.844 161.799 115.657 PRESSAVG: 4949000 26.1434 23.8015 17.3196 23.8016 10.8927 45.715 17.3197 45.715 15.943 GPRESSAVG: 4949000 26.4472 26.2147 16.9223 25.7308 10.4978 47.4045 17.8779 44.2255 15.6175 TIMING: 4949000 CPU: 15451.5, 0.00310058/step Wall: 15451.5, 0.00310057/step, 0.0439248 hours remaining, 234.320312 MB of memory in use. ENERGY: 4949000 3967.5830 20562.2668 14442.8724 236.1759 -203274.0629 2956.5324 0.0000 0.0000 52046.9596 -109061.6728 299.1146 -161108.6324 -108688.4109 299.1888 -130.1709 -96.5307 762746.5031 17.6597 17.5208 PRESSURE: 4949200 -56.3349 -14.8274 -2.47567 -14.8266 -15.2431 110.946 -2.47511 110.946 156.324 GPRESSURE: 4949200 -33.492 -124.537 -21.0321 86.632 8.88056 57.0324 3.23267 78.164 207.099 PRESSAVG: 4949200 5.90707 0.0648107 6.42561 0.064815 38.6035 38.1053 6.42554 38.1052 31.8804 GPRESSAVG: 4949200 6.0693 -1.37363 6.08133 -0.674476 38.2851 37.7628 4.26256 41.0341 31.9265 TIMING: 4949200 CPU: 15452.1, 0.00309229/step Wall: 15452.1, 0.00309229/step, 0.0436356 hours remaining, 234.320312 MB of memory in use. ENERGY: 4949200 3988.6915 20607.1439 14407.0991 237.5968 -203042.7757 2638.9074 0.0000 0.0000 52066.1840 -109097.1531 299.2251 -161163.3371 -108733.1885 299.4357 28.2486 60.8292 762467.3154 25.4637 25.4269 PRESSURE: 4949400 4.41505 -77.122 -156.742 -77.1223 -233.707 104.63 -156.741 104.63 -99.7105 GPRESSURE: 4949400 80.1982 -85.0177 -181.586 -113.663 -219.126 83.1156 -143.963 22.2724 -75.8891 PRESSAVG: 4949400 -31.7767 -49.6025 15.2508 -49.6024 23.8942 9.26026 15.2508 9.26018 2.9033 GPRESSAVG: 4949400 -31.8555 -51.088 15.5712 -49.8029 23.6155 9.13495 16.5401 6.6817 3.09256 TIMING: 4949400 CPU: 15452.7, 0.00309625/step Wall: 15452.7, 0.00309625/step, 0.0435195 hours remaining, 234.320312 MB of memory in use. ENERGY: 4949400 4040.0858 20405.9588 14348.3068 223.0004 -203380.4501 2947.9947 0.0000 0.0000 52329.3941 -109085.7095 300.7377 -161415.1036 -108729.0771 299.4405 -109.6674 -71.6056 763791.7902 -1.6597 -1.7158 PRESSURE: 4949600 -117.839 -22.3663 -22.7455 -22.3663 52.5926 177.636 -22.745 177.636 33.3075 GPRESSURE: 4949600 -90.9202 -1.68568 98.7685 -48.4239 47.1842 253.307 -15.9411 123.007 84.4439 PRESSAVG: 4949600 1.00474 27.1663 -21.4452 27.1662 -1.42839 -31.5299 -21.4453 -31.5299 14.6345 GPRESSAVG: 4949600 1.25629 29.0605 -21.4807 25.7408 -0.697863 -31.8443 -22.0754 -29.8474 13.4822 TIMING: 4949600 CPU: 15453.3, 0.00311476/step Wall: 15453.3, 0.00311476/step, 0.0436066 hours remaining, 234.320312 MB of memory in use. ENERGY: 4949600 4075.7613 20487.9024 14445.4634 231.0119 -202967.1243 2808.3984 0.0000 0.0000 51964.7263 -108953.8606 298.6420 -160918.5869 -108590.9941 299.5156 -10.6462 13.5693 762924.7188 4.7369 4.6802 PRESSURE: 4949800 -182.333 103.396 316.288 103.395 -263.684 -40.8124 316.289 -40.8121 -70.5843 GPRESSURE: 4949800 -77.321 169.083 238.123 55.3009 -351.543 -101.172 231.417 26.0699 -15.1985 PRESSAVG: 4949800 -1.76774 -26.2363 58.5489 -26.2363 -1.26028 53.8021 58.5489 53.8022 -4.2391 GPRESSAVG: 4949800 -3.3131 -25.9546 57.6353 -25.0626 -0.0432614 52.1633 58.8117 54.6337 -3.7322 TIMING: 4949800 CPU: 15453.9, 0.00310794/step Wall: 15453.9, 0.00310794/step, 0.0433386 hours remaining, 234.320312 MB of memory in use. ENERGY: 4949800 3987.7154 20663.6854 14453.7007 251.3400 -203043.4360 2732.7021 0.0000 0.0000 51901.2556 -109053.0368 298.2772 -160954.2924 -108683.6900 299.2562 -172.2002 -148.0207 765524.7691 -2.4224 -2.3629 PRESSURE: 4950000 328.8 179.397 60.3315 179.396 279.28 9.29475 60.3313 9.29453 179.436 GPRESSURE: 4950000 370.408 180.645 53.1124 44.4702 262.956 23.4333 90.7772 -14.9332 233.045 PRESSAVG: 4950000 33.2593 -12.4107 14.4815 -12.4107 1.36175 -32.3255 14.4815 -32.3255 -3.55229 GPRESSAVG: 4950000 33.8949 -12.5584 15.7334 -13.9735 0.50661 -28.8155 14.1435 -33.5422 -3.10623 TIMING: 4950000 CPU: 15454.6, 0.00311162/step Wall: 15454.6, 0.00311162/step, 0.043217 hours remaining, 234.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4950000 3915.5146 20554.3888 14418.8635 259.7038 -203347.0064 2850.0438 0.0000 0.0000 52046.4150 -109302.0770 299.1115 -161348.4920 -108933.2975 299.6505 262.5056 288.8033 761957.0276 10.3562 10.4318 PRESSURE: 4950200 260.59 274.523 -57.5815 274.522 -81.367 6.2472 -57.5815 6.24798 122.668 GPRESSURE: 4950200 241.434 207.804 -16.9114 269.768 -89.7845 131.73 -50.2301 -69.7812 228.974 PRESSAVG: 4950200 -27.1693 0.10088 30.4232 0.10091 -1.91096 17.1241 30.4232 17.1242 -2.86478 GPRESSAVG: 4950200 -26.5944 0.284561 29.4361 0.738409 -3.41875 16.7193 30.8528 16.2444 -2.13777 TIMING: 4950200 CPU: 15455.2, 0.00310975/step Wall: 15455.2, 0.00310975/step, 0.0430182 hours remaining, 234.320312 MB of memory in use. ENERGY: 4950200 3920.3730 20602.8962 14411.3777 241.8040 -203028.5105 2492.8785 0.0000 0.0000 52022.8026 -109336.3786 298.9758 -161359.1812 -108976.4529 299.1249 100.6304 126.8744 764370.1848 -10.6484 -10.7170 PRESSURE: 4950400 -325.621 -74.2356 70.0067 -74.2356 113.985 81.6252 70.0064 81.625 157.537 GPRESSURE: 4950400 -130.768 -189.281 80.1453 -35.2936 29.3943 8.23449 21.7549 166.165 141.086 PRESSAVG: 4950400 -21.9775 -3.47353 -43.8482 -3.47348 24.6705 5.42381 -43.8482 5.42379 -3.70251 GPRESSAVG: 4950400 -22.4496 -5.92222 -41.7519 -0.877627 26.6271 4.71432 -46.751 6.33344 -4.93039 TIMING: 4950400 CPU: 15455.8, 0.00309741/step Wall: 15455.8, 0.00309741/step, 0.0426754 hours remaining, 234.320312 MB of memory in use. ENERGY: 4950400 4029.4298 20613.6344 14325.2972 232.0627 -203414.5812 2778.4184 0.0000 0.0000 51849.7757 -109585.9631 297.9814 -161435.7387 -109231.0495 298.8371 -18.0330 13.2376 762192.8909 -0.3365 -0.2509 PRESSURE: 4950600 88.7169 87.9238 63.5883 87.9233 120.688 -7.72971 63.5889 -7.7301 339.572 GPRESSURE: 4950600 62.6659 109.011 98.6423 109.818 224.96 -2.85933 -0.793926 -50.4976 345.388 PRESSAVG: 4950600 2.87502 33.1469 -19.6263 33.147 4.41687 6.90728 -19.6264 6.9072 4.3012 GPRESSAVG: 4950600 4.88512 35.0254 -19.3097 30.5226 3.65742 8.82898 -19.8612 4.49254 3.07701 TIMING: 4950600 CPU: 15456.4, 0.00309955/step Wall: 15456.4, 0.00309955/step, 0.0425327 hours remaining, 234.320312 MB of memory in use. ENERGY: 4950600 3928.6610 20364.1112 14477.1848 241.3120 -203311.9524 2662.3785 0.0000 0.0000 51915.2139 -109723.0908 298.3574 -161638.3048 -109359.4771 299.0829 182.9925 211.0047 760229.0327 3.8644 3.8732 PRESSURE: 4950800 3.2014 -88.9451 16.8683 -88.9445 -232.383 74.4836 16.8682 74.4835 -86.2448 GPRESSURE: 4950800 -18.8172 -41.2272 -44.0274 8.82634 -182.822 150.464 135.589 47.8293 -32.4429 PRESSAVG: 4950800 14.6688 76.7437 -6.3209 76.7436 -36.0253 22.0789 -6.32084 22.0789 -16.0506 GPRESSAVG: 4950800 11.946 76.5344 -5.12734 79.0838 -35.3332 20.455 -5.27519 25.5432 -14.625 TIMING: 4950800 CPU: 15457, 0.00309455/step Wall: 15457, 0.00309455/step, 0.0422922 hours remaining, 234.320312 MB of memory in use. ENERGY: 4950800 4037.9440 20680.0102 14394.4805 230.7881 -203222.2448 2298.0616 0.0000 0.0000 51999.6781 -109581.2823 298.8429 -161580.9604 -109224.2045 298.7444 -105.1420 -78.0274 761960.1355 -12.4690 -12.6708 PRESSURE: 4951000 -192.291 141.679 321.284 141.678 63.5681 -118.024 321.285 -118.024 262.622 GPRESSURE: 4951000 -178.818 -11.6775 334.344 43.7093 138.088 -65.5691 225.207 -12.1246 287.551 PRESSAVG: 4951000 71.8883 38.2891 2.90968 38.289 -21.0327 -29.9015 2.90974 -29.9016 36.0062 GPRESSAVG: 4951000 73.3931 35.8696 0.788892 37.6615 -21.1196 -30.3536 4.86352 -31.7242 34.804 TIMING: 4951000 CPU: 15457.7, 0.00310983/step Wall: 15457.7, 0.00310983/step, 0.0423282 hours remaining, 234.320312 MB of memory in use. ENERGY: 4951000 3985.8755 20597.2145 14284.0507 241.6433 -203880.8357 2834.5094 0.0000 0.0000 52311.0267 -109626.5157 300.6322 -161937.5424 -109262.8607 298.9261 44.6329 82.2735 759313.2626 28.9540 29.0258 PRESSURE: 4951200 -2.02839 1.6904 -45.5669 1.68955 -180.897 -291.585 -45.5678 -291.584 -222.298 GPRESSURE: 4951200 -87.3896 38.0438 21.8293 5.47974 -117.039 -286.183 -29.3839 -234.017 -115.268 PRESSAVG: 4951200 33.0028 -19.113 46.3468 -19.1131 -20.0432 -36.2385 46.3468 -36.2386 15.541 GPRESSAVG: 4951200 33.1373 -16.8009 47.3836 -19.0516 -20.7659 -36.8304 45.1786 -34.03 16.0453 TIMING: 4951200 CPU: 15458.3, 0.00311505/step Wall: 15458.3, 0.00311505/step, 0.0422263 hours remaining, 234.386719 MB of memory in use. ENERGY: 4951200 3945.1252 20696.2808 14409.1133 256.5221 -203482.3578 2778.8014 0.0000 0.0000 51990.3462 -109406.1686 298.7892 -161396.5149 -109048.8129 299.2970 -135.0742 -106.5654 761420.2354 9.5002 9.4722 PRESSURE: 4951400 -255.236 -77.9143 -121.564 -77.9146 -147.13 -129.878 -121.564 -129.879 -252.627 GPRESSURE: 4951400 -214.231 -35.6523 -84.2637 -87.9877 -144.997 -101.574 -133.297 -177.132 -223.311 PRESSAVG: 4951400 81.95 -7.26523 17.4975 -7.26528 -15.0086 19.6419 17.4975 19.6419 9.31957 GPRESSAVG: 4951400 81.4781 -5.87213 17.9677 -7.63735 -15.2034 18.7706 17.7312 19.5214 10.3679 TIMING: 4951400 CPU: 15458.9, 0.00310484/step Wall: 15458.9, 0.00310484/step, 0.0419154 hours remaining, 234.386719 MB of memory in use. ENERGY: 4951400 4023.7403 20484.1635 14346.2543 253.6068 -202908.8496 2454.5426 0.0000 0.0000 52150.0679 -109196.4741 299.7072 -161346.5420 -108821.6082 299.1737 -218.3309 -194.1796 761711.8384 25.4203 25.5475 PRESSURE: 4951600 -281.726 -145.413 70.8487 -145.412 -35.7471 153.879 70.8489 153.878 -74.8919 GPRESSURE: 4951600 -221.695 -121.887 135.854 -126.129 -14.3275 151.462 95.7341 99.2695 -69.4738 PRESSAVG: 4951600 9.61154 36.8554 20.1653 36.8553 -9.65541 17.6934 20.1652 17.6934 -9.70262 GPRESSAVG: 4951600 9.72557 35.3917 20.0047 37.3539 -8.6695 19.8396 19.6771 16.0042 -10.3895 TIMING: 4951600 CPU: 15459.5, 0.0031055/step Wall: 15459.5, 0.0031055/step, 0.0417518 hours remaining, 234.386719 MB of memory in use. ENERGY: 4951600 4029.3925 20633.9349 14416.5474 268.4437 -203294.8365 2567.6070 0.0000 0.0000 52214.0629 -109164.8480 300.0749 -161378.9109 -108807.2974 300.0134 -130.7884 -101.8321 761252.2454 -3.2488 -3.1111 PRESSURE: 4951800 188.678 -12.299 70.4269 -12.2985 348.691 -86.6973 70.4271 -86.6963 705.891 GPRESSURE: 4951800 275.642 -16.1697 51.8676 80.5308 363.439 -134.216 118.377 15.6914 703.978 PRESSAVG: 4951800 -15.8861 17.7456 -53.4988 17.7456 -0.573825 58.7833 -53.4988 58.7833 -1.32857 GPRESSAVG: 4951800 -14.9082 17.4797 -53.7407 19.2582 -0.175045 58.9124 -52.868 60.9954 -2.51846 TIMING: 4951800 CPU: 15460.2, 0.00310067/step Wall: 15460.2, 0.00310067/step, 0.0415145 hours remaining, 234.386719 MB of memory in use. ENERGY: 4951800 3874.7700 20437.9793 14411.9231 256.6776 -203719.6414 3053.7883 0.0000 0.0000 52286.6522 -109397.8509 300.4921 -161684.5032 -109039.6935 299.6525 414.4203 447.6862 760499.4467 -5.9295 -5.8672 PRESSURE: 4952000 410.238 -20.3925 -30.4197 -20.3925 -206.897 123.297 -30.4199 123.298 -200.119 GPRESSURE: 4952000 326.207 10.9124 -8.98111 52.8896 -110.927 103.071 -25.0765 -36.6942 -147.421 PRESSAVG: 4952000 -1.76179 -8.5748 -18.0478 -8.57473 22.0221 -7.68877 -18.0478 -7.68872 8.98559 GPRESSAVG: 4952000 -3.22378 -6.22793 -17.4567 -11.2883 22.138 -9.08322 -18.9147 -9.13441 10.5193 TIMING: 4952000 CPU: 15460.8, 0.00308896/step Wall: 15460.8, 0.00308896/step, 0.0411862 hours remaining, 234.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4952000 4014.9313 20569.2300 14408.5352 238.2337 -202830.1458 2236.7982 0.0000 0.0000 51800.8293 -109561.5883 297.7001 -161362.4175 -109211.5513 299.0434 1.0740 22.6196 762783.7121 9.7486 9.8112 PRESSURE: 4952200 -218.974 19.9336 -183.793 19.9344 108.693 -2.86571 -183.794 -2.86465 -87.0006 GPRESSURE: 4952200 -163.29 18.6508 -181.81 18.6005 149.106 -3.71969 -208.091 137.366 -91.9748 PRESSAVG: 4952200 13.4443 -63.4489 -2.34311 -63.4489 -28.8827 -19.8064 -2.34312 -19.8065 30.8048 GPRESSAVG: 4952200 12.7662 -66.4764 -4.15452 -60.7504 -27.8612 -19.9389 -2.68183 -19.0377 29.5442 TIMING: 4952200 CPU: 15461.4, 0.00307882/step Wall: 15461.4, 0.00307882/step, 0.0408799 hours remaining, 234.386719 MB of memory in use. ENERGY: 4952200 3953.4261 20346.9224 14300.6297 247.3606 -203687.2199 2881.3815 0.0000 0.0000 52165.9215 -109791.5781 299.7983 -161957.4996 -109424.6607 298.3246 -65.7605 -35.3866 760909.0465 5.1221 4.8164 LDB: ============= START OF LOAD BALANCING ============== 15473.9 LDB: ============== END OF LOAD BALANCING =============== 15473.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15473.9 LDB: ============= START OF LOAD BALANCING ============== 15474.2 LDB: Largest compute 7070 load 0.030720 is 15.7% of average load 0.195331 LDB: Average compute 0.004384 is 2.2% of average load 0.195331 LDB: TIME 15474.2 LOAD: AVG 0.195331 MAX 0.21558 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.668 MB LDB: TIME 15474.2 LOAD: AVG 0.195331 MAX 0.21558 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.668 MB LDB: TIME 15474.2 LOAD: AVG 0.195331 MAX 0.21558 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.668 MB LDB: ============== END OF LOAD BALANCING =============== 15474.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15474.2 PRESSURE: 4952400 274.94 16.1366 107.956 16.1353 -265.713 2.20838 107.956 2.20819 -58.7825 GPRESSURE: 4952400 262.815 -9.99325 71.1888 32.5254 -160.796 41.9875 63.4739 -12.0294 -84.9201 PRESSAVG: 4952400 -29.7216 -2.25671 -25.5063 -2.25668 -13.7423 5.43952 -25.5063 5.43948 0.514776 GPRESSAVG: 4952400 -30.3022 -1.52843 -25.3515 -2.44307 -12.5235 6.16522 -24.4741 3.88457 -0.149468 TIMING: 4952400 CPU: 15462, 0.00315974/step Wall: 15462, 0.00315974/step, 0.0417787 hours remaining, 234.625000 MB of memory in use. ENERGY: 4952400 3925.0589 20534.0079 14404.3140 253.3744 -202892.0197 2582.1596 0.0000 0.0000 51543.2156 -109649.8892 296.2196 -161193.1048 -109288.2434 298.2476 -16.5184 5.6994 762625.0133 -14.3164 -14.3251 PRESSURE: 4952600 117.496 -219.972 -20.004 -219.972 -33.9558 -170.979 -20.0039 -170.979 -294.013 GPRESSURE: 4952600 110.548 -229.04 -32.7558 -107.528 -14.1712 -188.27 20.2382 -157.152 -227.538 PRESSAVG: 4952600 -24.3778 -43.024 -31.1897 -43.024 1.55816 -23.0678 -31.1896 -23.0678 4.14663 GPRESSAVG: 4952600 -24.5125 -43.6203 -31.8496 -43.7584 -0.424035 -23.6071 -29.4676 -21.6144 6.3339 TIMING: 4952600 CPU: 15462.6, 0.00308922/step Wall: 15462.6, 0.00308922/step, 0.0406747 hours remaining, 234.695312 MB of memory in use. ENERGY: 4952600 3923.0237 20630.9269 14413.6740 254.5516 -202873.2313 2437.8480 0.0000 0.0000 51811.9343 -109401.2728 297.7639 -161213.2071 -109053.3909 298.3680 -70.1577 -43.7204 761906.8019 -6.2243 -6.2009 PRESSURE: 4952800 32.8862 213.282 244.175 213.281 160.018 23.5627 244.176 23.5621 -118.197 GPRESSURE: 4952800 63.0394 67.0239 270.104 258.451 107.987 -52.0772 264.445 96.0703 -13.073 PRESSAVG: 4952800 8.57214 3.94426 -61.4904 3.94428 23.501 -43.704 -61.4904 -43.704 -1.29228 GPRESSAVG: 4952800 8.99313 6.06031 -60.44 5.88486 24.5899 -44.4842 -65.4624 -43.4096 -2.97648 TIMING: 4952800 CPU: 15463.3, 0.00311021/step Wall: 15463.3, 0.00311021/step, 0.0407783 hours remaining, 234.695312 MB of memory in use. ENERGY: 4952800 3902.1980 20621.3176 14417.5808 258.5137 -203060.0830 2551.6291 0.0000 0.0000 52172.4305 -109136.4133 299.8357 -161308.8438 -108783.6999 299.3580 24.9022 52.6513 761764.7310 10.2603 10.2022 PRESSURE: 4953000 -204.813 -4.2538 -9.23095 -4.25391 -211.241 -33.9104 -9.23165 -33.9116 130.266 GPRESSURE: 4953000 -207.989 -30.2893 -102.271 36.2001 -114.888 -20.9284 -173.475 63.2377 130.792 PRESSAVG: 4953000 -22.1607 18.8845 12.1149 18.8845 31.69 -38.4429 12.115 -38.4429 1.28038 GPRESSAVG: 4953000 -21.4098 18.9653 12.376 19.8754 30.1993 -37.6152 12.9154 -41.4243 2.32442 TIMING: 4953000 CPU: 15463.9, 0.00313016/step Wall: 15463.9, 0.00313016/step, 0.0408659 hours remaining, 234.957031 MB of memory in use. ENERGY: 4953000 4027.8220 20550.3139 14461.8676 252.8410 -203079.6828 2512.3753 0.0000 0.0000 52270.8181 -109003.6449 300.4011 -161274.4631 -108639.4743 300.1430 -95.2627 -64.0281 760957.8025 3.6032 3.7046 PRESSURE: 4953200 332.188 152.147 -161.69 152.147 31.3648 -107.62 -161.691 -107.62 167.835 GPRESSURE: 4953200 331.78 96.4303 -132.378 190.287 78.4659 -84.1518 -160.398 -170.693 168.447 PRESSAVG: 4953200 -47.9098 39.1121 -6.05477 39.1121 51.5337 -11.4118 -6.0548 -11.4117 4.47004 GPRESSAVG: 4953200 -47.6869 39.7402 -6.53698 36.1943 52.4305 -11.4067 -7.78364 -12.185 3.53135 TIMING: 4953200 CPU: 15464.5, 0.00309926/step Wall: 15464.5, 0.00309926/step, 0.0402904 hours remaining, 234.957031 MB of memory in use. ENERGY: 4953200 4011.8412 20774.4335 14490.7572 244.3479 -203305.8360 2768.6423 0.0000 0.0000 52031.0164 -108984.7975 299.0230 -161015.8139 -108630.2920 300.5434 177.1294 192.8976 760907.3941 2.6980 2.7583 PRESSURE: 4953400 79.5986 -122.251 -73.6826 -122.251 -171.032 -104.604 -73.6826 -104.606 -186.982 GPRESSURE: 4953400 88.4487 -81.4876 -76.5075 1.37244 -134.969 -65.6 176.18 -60.3973 -134.545 PRESSAVG: 4953400 -52.444 40.1426 -22.4818 40.1426 53.2016 -22.714 -22.4818 -22.714 -4.18784 GPRESSAVG: 4953400 -52.6281 41.3771 -23.629 40.2343 53.6288 -22.1766 -18.841 -20.6004 -4.00811 TIMING: 4953400 CPU: 15465.1, 0.00310628/step Wall: 15465.1, 0.00310628/step, 0.0402091 hours remaining, 235.023438 MB of memory in use. ENERGY: 4953400 4064.0250 20448.5161 14398.9918 254.8858 -203051.2616 2487.1335 0.0000 0.0000 52299.0552 -109098.6542 300.5634 -161397.7093 -108745.3124 299.9628 -92.8052 -60.3550 762776.8709 -1.1434 -1.0025 PRESSURE: 4953600 338.798 -64.1123 123.84 -64.1115 309.72 180.503 123.84 180.503 226.954 GPRESSURE: 4953600 354.269 -31.3779 51.5275 74.2262 349.852 208.451 157.989 147.172 249.191 PRESSAVG: 4953600 -4.18178 -12.3266 -10.4224 -12.3265 16.5688 -42.3929 -10.4224 -42.393 4.49586 GPRESSAVG: 4953600 -3.42576 -11.4666 -10.901 -12.3672 16.3101 -41.654 -9.79119 -41.357 3.75468 TIMING: 4953600 CPU: 15465.7, 0.00311429/step Wall: 15465.7, 0.00311429/step, 0.0401398 hours remaining, 235.023438 MB of memory in use. ENERGY: 4953600 3995.9103 20718.0317 14385.4040 253.3915 -203595.5535 2970.1348 0.0000 0.0000 52051.3342 -109221.3471 299.1397 -161272.6812 -108869.1715 300.0314 291.8239 317.7705 761826.3477 5.6276 5.5463 PRESSURE: 4953800 -8.14283 -288.668 52.9077 -288.668 100.127 56.106 52.9074 56.1052 135.195 GPRESSURE: 4953800 28.1916 -273.065 56.0686 -202.116 158.861 4.44626 77.9197 82.3598 113.492 PRESSAVG: 4953800 -41.2046 -22.1767 -37.8874 -22.1767 61.8969 9.72836 -37.8874 9.72827 20.8037 GPRESSAVG: 4953800 -41.2554 -25.4973 -37.6686 -20.4482 63.0171 8.47387 -39.4111 9.65545 20.2761 TIMING: 4953800 CPU: 15466.4, 0.00311129/step Wall: 15466.4, 0.00311129/step, 0.0399283 hours remaining, 235.023438 MB of memory in use. ENERGY: 4953800 3926.9663 20579.1325 14492.1380 238.8227 -203412.6306 2887.5652 0.0000 0.0000 52030.9203 -109257.0857 299.0224 -161288.0060 -108895.9222 299.6900 75.7264 100.1815 760340.9595 13.8320 14.0126 PRESSURE: 4954000 -390.045 54.3187 -15.6809 54.3187 -188.549 -113.857 -15.6803 -113.856 -208.002 GPRESSURE: 4954000 -334.433 76.4338 58.7188 -22.3908 -172.648 -97.7764 7.58484 -101.13 -174.243 PRESSAVG: 4954000 14.1355 19.3089 45.4403 19.3088 22.0677 -10.6804 45.4403 -10.6805 9.63574 GPRESSAVG: 4954000 13.2614 20.4271 46.312 19.8197 22.8644 -10.1186 46.9994 -12.7922 10.0727 TIMING: 4954000 CPU: 15467, 0.00310855/step Wall: 15467, 0.00310855/step, 0.0397203 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4954000 4038.7406 20488.0514 14431.9125 246.7667 -202873.6701 2450.5362 0.0000 0.0000 51940.7408 -109276.9220 298.5042 -161217.6628 -108918.5360 299.4070 -262.1987 -227.1077 761854.9012 15.2797 15.3995 PRESSURE: 4954200 -552.975 -120.888 -60.8413 -120.888 -105.519 -11.3391 -60.8408 -11.3391 205.355 GPRESSURE: 4954200 -522.974 -146.7 -77.672 -183.735 -34.0198 107.044 -84.466 -35.5813 195.35 PRESSAVG: 4954200 -42.2348 14.5756 13.4439 14.5755 54.1136 -12.5481 13.4439 -12.5481 17.655 GPRESSAVG: 4954200 -42.32 14.3442 13.556 12.5691 54.3351 -11.9664 12.4938 -11.1949 18.0144 TIMING: 4954200 CPU: 15467.6, 0.00309882/step Wall: 15467.6, 0.00309882/step, 0.0394239 hours remaining, 235.023438 MB of memory in use. ENERGY: 4954200 3970.7899 20338.3041 14413.4662 246.1626 -203076.5412 2403.2957 0.0000 0.0000 52343.1714 -109361.3513 300.8169 -161704.5227 -108989.2457 299.1678 -151.0464 -120.5482 760950.9823 9.8446 10.0098 PRESSURE: 4954400 121.87 93.3933 -178.56 93.3935 198.024 7.94925 -178.56 7.94937 292.361 GPRESSURE: 4954400 75.299 35.0718 -111.35 35.9502 328.643 -33.8125 -134.56 86.3352 301.744 PRESSAVG: 4954400 -30.4186 -18.9065 8.71812 -18.9065 41.142 -6.21054 8.71816 -6.21055 -9.16892 GPRESSAVG: 4954400 -29.8133 -18.3284 8.87287 -18.8296 39.5001 -9.35738 6.60587 -4.3477 -8.169 TIMING: 4954400 CPU: 15468.2, 0.00313605/step Wall: 15468.2, 0.00313605/step, 0.0397233 hours remaining, 235.023438 MB of memory in use. ENERGY: 4954400 3951.9665 20436.0466 14392.4488 251.3639 -203438.0051 2892.9975 0.0000 0.0000 51857.8334 -109655.3483 298.0277 -161513.1818 -109314.5211 299.0510 204.0853 235.2287 760691.8499 0.5182 0.5059 PRESSURE: 4954600 196.634 131.997 -105.915 131.998 306.313 -51.5234 -105.914 -51.5217 1.74217 GPRESSURE: 4954600 225.043 168.458 -57.1591 214.263 350.077 2.96033 -29.456 -82.1615 5.13639 PRESSAVG: 4954600 17.157 17.0296 41.4305 17.0297 12.6508 11.4805 41.4306 11.4805 15.1673 GPRESSAVG: 4954600 16.7714 16.596 42.8841 16.8909 13.2828 11.958 42.0473 10.5551 14.4302 TIMING: 4954600 CPU: 15468.9, 0.00310155/step Wall: 15468.9, 0.00310155/step, 0.039114 hours remaining, 235.023438 MB of memory in use. ENERGY: 4954600 3877.6588 20516.0580 14394.9927 233.3049 -203445.5192 2680.4644 0.0000 0.0000 52022.0388 -109721.0015 298.9714 -161743.0403 -109353.4011 298.4672 168.2297 193.4190 759306.4904 14.9917 14.8281 PRESSURE: 4954800 24.2186 -7.31941 9.59779 -7.31909 382.04 -46.5774 9.59718 -46.5756 7.07025 GPRESSURE: 4954800 54.837 -95.1568 87.6176 18.4583 360.709 -56.0105 -83.8438 26.3866 80.419 PRESSAVG: 4954800 -48.6861 20.8309 46.5911 20.831 93.7184 42.3934 46.5912 42.3934 -11.8407 GPRESSAVG: 4954800 -49.9567 20.4452 46.4449 20.3559 93.0828 43.8598 46.4417 41.7275 -9.99489 TIMING: 4954800 CPU: 15469.5, 0.00308971/step Wall: 15469.5, 0.00308971/step, 0.038793 hours remaining, 235.023438 MB of memory in use. ENERGY: 4954800 3927.5205 20524.3839 14485.2689 245.9271 -203412.2037 2783.1831 0.0000 0.0000 51983.8739 -109462.0463 298.7520 -161445.9202 -109094.9054 299.1047 137.7763 165.3215 762350.0447 11.0639 11.0438 PRESSURE: 4955000 -241.522 69.5268 25.6809 69.5262 287.308 73.821 25.681 73.8226 45.3294 GPRESSURE: 4955000 -235.115 78.0415 -35.9719 -0.462286 433.569 -20.9457 67.9022 17.187 -2.09456 PRESSAVG: 4955000 -8.66011 11.26 24.3001 11.2599 -33.9691 29.6804 24.3001 29.6804 1.26447 GPRESSAVG: 4955000 -6.94536 12.4954 24.0924 13.0954 -33.9193 28.5217 25.2837 29.5194 -0.555394 TIMING: 4955000 CPU: 15470.1, 0.00309463/step Wall: 15470.1, 0.00309463/step, 0.0386828 hours remaining, 235.023438 MB of memory in use. ENERGY: 4955000 3995.8857 20527.6746 14377.4703 243.6905 -203247.4982 2635.6957 0.0000 0.0000 51954.5303 -109512.5510 298.5834 -161467.0813 -109153.4417 299.2038 30.3718 65.4531 760800.3881 -13.7883 -13.8067 PRESSURE: 4955200 207.907 51.5832 62.7076 51.5829 12.4869 -178.697 62.7081 -178.695 605.507 GPRESSURE: 4955200 193.506 -72.0331 68.4168 22.9377 166.396 -138.526 132.259 -154.511 562.969 PRESSAVG: 4955200 -7.3456 -15.0987 -6.74851 -15.0987 32.2658 52.8622 -6.7485 52.8623 -11.3646 GPRESSAVG: 4955200 -8.22961 -15.907 -8.31986 -16.4955 33.0479 52.5014 -5.82807 53.0502 -10.9029 TIMING: 4955200 CPU: 15470.7, 0.00310396/step Wall: 15470.7, 0.00310396/step, 0.0386271 hours remaining, 235.023438 MB of memory in use. ENERGY: 4955200 3904.9642 20546.8531 14399.4334 211.7613 -203123.1772 2546.9388 0.0000 0.0000 52063.9743 -109449.2521 299.2124 -161513.2264 -109091.6897 299.0908 275.3003 307.6237 760814.6593 4.5185 4.6385 PRESSURE: 4955400 -298.81 261.283 11.1116 261.283 -279.236 234.591 11.1116 234.592 1.83868 GPRESSURE: 4955400 -328.176 331.552 59.4597 56.2365 -195.306 175.875 -67.4815 214.382 46.4472 PRESSAVG: 4955400 -30.9866 -46.8806 15.1072 -46.8806 12.2997 30.1085 15.1072 30.1085 -5.52234 GPRESSAVG: 4955400 -30.954 -47.0519 14.6231 -46.5261 11.8612 30.877 13.8675 30.249 -4.82486 TIMING: 4955400 CPU: 15471.3, 0.00311873/step Wall: 15471.3, 0.00311873/step, 0.0386376 hours remaining, 235.023438 MB of memory in use. ENERGY: 4955400 3926.0755 20591.3269 14405.3971 261.2778 -203368.1950 2413.7389 0.0000 0.0000 52249.6959 -109520.6829 300.2797 -161770.3788 -109157.4986 299.3638 -192.0693 -159.0117 763160.6383 -8.0698 -7.9726 PRESSURE: 4955600 -6.56704 208.325 -190.628 208.324 687.185 405.413 -190.628 405.412 -78.5789 GPRESSURE: 4955600 166.758 249.135 -246.321 222.924 600.816 393.525 -153.037 312.545 -59.4903 PRESSAVG: 4955600 -36.2391 38.0603 -24.9837 38.0602 60.4104 33.2404 -24.9836 33.2403 -14.278 GPRESSAVG: 4955600 -36.7664 39.398 -27.4297 37.8666 60.514 32.4596 -22.8452 34.8523 -13.8651 TIMING: 4955600 CPU: 15472, 0.00310565/step Wall: 15472, 0.00310565/step, 0.038303 hours remaining, 235.023438 MB of memory in use. ENERGY: 4955600 3962.4139 20583.4658 14489.1408 236.2333 -203269.1659 2623.2285 0.0000 0.0000 51828.3982 -109546.2855 297.8585 -161374.6837 -109190.1930 299.2923 200.6798 236.0278 761971.0760 3.2978 3.2942 PRESSURE: 4955800 53.5219 -200.441 306.529 -200.442 -114.126 -55.5028 306.529 -55.5028 -311.229 GPRESSURE: 4955800 27.8984 -49.6424 321.419 -73.1561 -46.5503 25.438 256.637 -61.218 -265.275 PRESSAVG: 4955800 -3.90451 -19.0319 16.8836 -19.0319 21.5174 53.1293 16.8837 53.1293 -9.77397 GPRESSAVG: 4955800 -2.01224 -19.5423 19.9232 -19.856 20.8523 54.4746 15.169 50.4184 -10.7192 TIMING: 4955800 CPU: 15472.6, 0.00310692/step Wall: 15472.6, 0.00310692/step, 0.0381461 hours remaining, 235.023438 MB of memory in use. ENERGY: 4955800 3922.9233 20409.7907 14488.8420 241.2866 -203095.8114 2440.1338 0.0000 0.0000 51888.2533 -109704.5818 298.2025 -161592.8351 -109338.0692 298.4334 -123.9444 -94.6423 761545.6726 2.6130 2.7069 PRESSURE: 4956000 505.472 114.908 51.8494 114.908 98.9731 97.2262 51.8483 97.2266 265.015 GPRESSURE: 4956000 538.935 87.7657 27.4899 110.519 144.829 97.8866 71.7115 226.998 248.337 PRESSAVG: 4956000 24.4379 7.77167 -36.9034 7.77175 -34.0025 38.1628 -36.9034 38.1627 -2.60259 GPRESSAVG: 4956000 23.483 7.82692 -37.6313 7.51698 -33.6413 39.3395 -38.8453 39.5646 -2.87841 TIMING: 4956000 CPU: 15473.2, 0.0030998/step Wall: 15473.2, 0.0030998/step, 0.0378865 hours remaining, 235.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4956000 3913.1922 20568.1271 14383.2832 246.7597 -203724.7156 2857.6663 0.0000 0.0000 52131.5086 -109624.1785 299.6005 -161755.6871 -109270.2950 298.7108 289.8200 310.7001 759903.5317 -4.0557 -4.3456 PRESSURE: 4956200 257.82 45.9526 89.0994 45.9526 -200.591 -247.651 89.099 -247.651 -234.849 GPRESSURE: 4956200 302.089 153.63 -42.1118 -12.5747 -219.399 -344.558 95.7409 -330.923 -161.092 PRESSAVG: 4956200 17.2953 -46.8683 6.22943 -46.8683 -15.2647 -1.77996 6.22944 -1.77998 20.7412 GPRESSAVG: 4956200 17.289 -48.0032 6.88217 -44.4239 -15.5018 -3.70004 8.75648 -1.11864 20.495 TIMING: 4956200 CPU: 15473.8, 0.00308268/step Wall: 15473.8, 0.00308268/step, 0.037506 hours remaining, 235.023438 MB of memory in use. ENERGY: 4956200 4017.2517 20652.9758 14438.4714 248.9282 -202862.4969 2303.7750 0.0000 0.0000 51754.1783 -109446.9165 297.4320 -161201.0948 -109094.7404 299.5219 -59.2067 -26.1341 759660.9358 7.5906 7.4274 LDB: ============= START OF LOAD BALANCING ============== 15486.3 LDB: ============== END OF LOAD BALANCING =============== 15486.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15486.3 LDB: ============= START OF LOAD BALANCING ============== 15486.6 LDB: Largest compute 7048 load 0.030483 is 15.6% of average load 0.195492 LDB: Average compute 0.004404 is 2.3% of average load 0.195492 LDB: TIME 15486.6 LOAD: AVG 0.195492 MAX 0.21862 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.855 MB LDB: TIME 15486.6 LOAD: AVG 0.195492 MAX 0.21862 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.859 MB LDB: TIME 15486.6 LOAD: AVG 0.195492 MAX 0.21573 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.859 MB LDB: ============== END OF LOAD BALANCING =============== 15486.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15486.6 PRESSURE: 4956400 -55.3233 21.315 82.3809 21.3141 -273.238 62.8295 82.3809 62.8281 -50.0801 GPRESSURE: 4956400 -130.183 10.1667 76.8421 29.6293 -117.97 -4.97075 -12.2137 60.3758 -24.5377 PRESSAVG: 4956400 42.2569 50.9945 25.2436 50.9945 24.4968 -10.6646 25.2436 -10.6646 13.9597 GPRESSAVG: 4956400 40.4973 50.1373 24.9903 50.736 25.0424 -11.76 24.6362 -11.4545 15.2375 TIMING: 4956400 CPU: 15474.5, 0.00315849/step Wall: 15474.5, 0.00315849/step, 0.0382528 hours remaining, 234.625000 MB of memory in use. ENERGY: 4956400 4050.4110 20559.0897 14481.4108 240.0264 -203680.3865 2838.5631 0.0000 0.0000 52011.1135 -109499.7718 298.9086 -161510.8853 -109147.4130 298.9533 -126.2138 -90.8968 759939.0660 26.9045 26.9257 PRESSURE: 4956600 -18.7351 -66.1703 136.566 -66.1706 -6.23421 27.1163 136.567 27.1159 -123.317 GPRESSURE: 4956600 35.5472 0.547463 117.851 -75.5385 -17.7887 55.5418 80.0782 -3.84281 -104.853 PRESSAVG: 4956600 -25.2472 10.7571 6.70392 10.7571 19.9286 -20.4347 6.7039 -20.4346 -14.342 GPRESSAVG: 4956600 -23.6739 12.1918 7.84744 10.2392 19.5484 -18.2332 4.91555 -19.9413 -15.2536 TIMING: 4956600 CPU: 15475.1, 0.00309152/step Wall: 15475.1, 0.00309152/step, 0.03727 hours remaining, 234.691406 MB of memory in use. ENERGY: 4956600 4004.4585 20359.3393 14500.8365 262.9212 -203269.5120 2533.0666 0.0000 0.0000 52043.8924 -109564.9976 299.0970 -161608.8900 -109208.4504 299.0230 -49.4289 -29.0315 760972.6239 -6.5535 -6.4597 PRESSURE: 4956800 126.418 -51.624 230.47 -51.6237 421.45 -51.8609 230.469 -51.8612 30.8457 GPRESSURE: 4956800 164.595 11.3117 149.968 -105.114 474.843 -58.6804 182.995 -40.1973 12.4568 PRESSAVG: 4956800 -10.0284 0.634921 18.2148 0.634903 -34.2307 22.9994 18.2148 22.9994 -8.38098 GPRESSAVG: 4956800 -11.5068 0.609711 17.1736 -1.42233 -33.5309 24.0619 20.0421 21.2578 -7.6238 TIMING: 4956800 CPU: 15475.7, 0.00310982/step Wall: 15475.7, 0.00310982/step, 0.0373178 hours remaining, 234.691406 MB of memory in use. ENERGY: 4956800 3895.2241 20576.8891 14475.8882 233.9551 -203714.5544 2758.3471 0.0000 0.0000 52062.8923 -109711.3586 299.2062 -161774.2509 -109340.8542 299.1125 192.9047 217.2984 759870.7575 -17.5467 -17.5538 PRESSURE: 4957000 -493.358 -123.958 -5.14383 -123.958 -442.538 136.28 -5.14325 136.28 -132.282 GPRESSURE: 4957000 -486.274 -89.744 18.9624 21.2554 -404.983 109.579 -25.2549 193.345 -105.066 PRESSAVG: 4957000 -45.4946 0.434948 57.2957 0.434989 47.3311 -21.9477 57.2957 -21.9477 -11.2136 GPRESSAVG: 4957000 -44.1722 -0.150005 55.3086 2.50445 46.7011 -22.1595 60.5822 -19.2594 -11.0814 TIMING: 4957000 CPU: 15476.3, 0.00310641/step Wall: 15476.3, 0.00310641/step, 0.0371044 hours remaining, 234.691406 MB of memory in use. ENERGY: 4957000 4020.0723 20652.8654 14448.6076 248.4398 -203449.6925 2423.6645 0.0000 0.0000 52013.1474 -109642.8954 298.9203 -161656.0429 -109290.7882 298.9110 -356.0593 -332.1079 761847.1943 -3.1257 -2.8508 PRESSURE: 4957200 546.2 22.8058 -105.412 22.8063 67.7637 139.419 -105.412 139.419 111.218 GPRESSURE: 4957200 571.976 26.5231 -88.3009 106.972 121.365 172.001 -23.2966 85.0829 103.725 PRESSAVG: 4957200 -23.6057 -29.4848 -35.3089 -29.4848 -23.256 12.5148 -35.309 12.5149 9.14505 GPRESSAVG: 4957200 -23.7418 -31.5736 -33.9088 -30.7375 -22.7109 11.9951 -39.8994 8.91795 9.08435 TIMING: 4957200 CPU: 15476.9, 0.00311216/step Wall: 15476.9, 0.00311216/step, 0.0370001 hours remaining, 234.691406 MB of memory in use. ENERGY: 4957200 3953.5267 20544.9912 14417.0934 236.6300 -203336.5490 2516.4026 0.0000 0.0000 52009.7647 -109658.1404 298.9008 -161667.9051 -109303.0937 298.7366 241.7272 265.6887 759633.9017 -12.5722 -12.4561 PRESSURE: 4957400 -139.609 -15.7617 80.3148 -15.762 51.403 -139.359 80.315 -139.358 93.853 GPRESSURE: 4957400 -73.3521 13.5938 117.239 76.6777 60.7726 -46.212 121.076 -103.548 115.796 PRESSAVG: 4957400 21.1329 -2.27896 6.09243 -2.27892 -9.56725 -10.3903 6.0924 -10.3903 -6.04959 GPRESSAVG: 4957400 21.0317 -0.549205 7.26021 -0.0575781 -10.2282 -12.1781 5.5396 -7.1432 -5.661 TIMING: 4957400 CPU: 15477.6, 0.00308826/step Wall: 15477.6, 0.00308826/step, 0.0365444 hours remaining, 234.691406 MB of memory in use. ENERGY: 4957400 3942.0351 20438.1046 14489.8511 231.5101 -203536.8298 2598.7377 0.0000 0.0000 51935.0948 -109901.4965 298.4717 -161836.5913 -109535.2764 298.6542 1.8825 34.4054 760024.6737 1.8387 1.7142 PRESSURE: 4957600 -401.782 24.3297 -109.864 24.3302 -37.8325 161.651 -109.864 161.652 -274.618 GPRESSURE: 4957600 -212.118 49.7406 -81.0137 -1.88309 -124.505 169.003 -153.268 209.857 -279.845 PRESSAVG: 4957600 12.8348 16.0823 -15.5303 16.0823 26.9915 -20.344 -15.5303 -20.344 11.4027 GPRESSAVG: 4957600 13.0547 16.6576 -16.3599 14.6173 27.8575 -17.8205 -15.0591 -21.6511 10.3469 TIMING: 4957600 CPU: 15478.2, 0.00309374/step Wall: 15478.2, 0.00309374/step, 0.0364374 hours remaining, 234.691406 MB of memory in use. ENERGY: 4957600 3926.3883 20432.0442 14404.3489 231.7511 -202783.2300 2173.9545 0.0000 0.0000 51530.2081 -110084.5350 296.1448 -161614.7432 -109736.9783 298.3038 -238.0776 -205.4897 760227.1571 17.0764 17.0864 PRESSURE: 4957800 -37.5627 2.24456 -81.2898 2.24429 -327.752 261.918 -81.2893 261.917 -359.826 GPRESSURE: 4957800 -13.5429 65.192 -63.2625 -64.5343 -265.956 380.44 -50.2877 150.023 -353.698 PRESSAVG: 4957800 -61.3286 -52.3905 3.62532 -52.3905 6.26547 -33.8777 3.62529 -33.8778 19.3361 GPRESSAVG: 4957800 -62.2182 -54.1753 3.37901 -54.1884 5.32866 -34.2837 4.59537 -33.4619 21.0164 TIMING: 4957800 CPU: 15478.8, 0.00309114/step Wall: 15478.8, 0.00309114/step, 0.036235 hours remaining, 234.691406 MB of memory in use. ENERGY: 4957800 3993.7470 20261.2720 14364.6595 246.8328 -203257.8729 2487.6128 0.0000 0.0000 52040.3409 -109863.4080 299.0766 -161903.7489 -109506.1545 297.4392 -241.7138 -211.0657 762532.3498 -11.9090 -11.9577 PRESSURE: 4958000 64.4097 -104.158 -322.346 -104.157 42.6092 -108.138 -322.345 -108.137 208.338 GPRESSURE: 4958000 29.3942 -172.576 -253.078 -29.1352 119.009 -132.365 -332.957 -113.018 254.214 PRESSAVG: 4958000 -25.4835 -53.7307 -42.586 -53.7307 -8.21975 -10.043 -42.5859 -10.0429 -1.63139 GPRESSAVG: 4958000 -24.9431 -53.4535 -43.1989 -52.8674 -7.57361 -11.8785 -43.9571 -9.55851 -3.38959 TIMING: 4958000 CPU: 15479.4, 0.00308699/step Wall: 15479.4, 0.003087/step, 0.0360149 hours remaining, 234.894531 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: 4958000 3911.1581 20413.2826 14400.5636 265.7646 -203625.5282 2724.9047 0.0000 0.0000 51967.8891 -109941.9655 298.6602 -161909.8546 -109581.8775 297.8958 105.1190 134.2059 761382.5972 -11.7782 -11.9688 PRESSURE: 4958200 -520.092 -69.4607 82.9742 -69.4608 -242.041 -92.6749 82.9744 -92.676 -178.783 GPRESSURE: 4958200 -448.822 -35.2158 176.219 -37.5216 -272.592 -81.243 -63.9553 -50.0168 -142.369 PRESSAVG: 4958200 15.8689 31.3894 10.6543 31.3895 -21.4949 45.7851 10.6543 45.7851 -30.9426 GPRESSAVG: 4958200 14.7814 31.525 9.50115 31.0411 -21.5365 47.1523 11.537 45.2632 -30.2237 TIMING: 4958200 CPU: 15480, 0.00309091/step Wall: 15480, 0.00309091/step, 0.0358889 hours remaining, 234.894531 MB of memory in use. ENERGY: 4958200 4056.4975 20513.2346 14374.4598 243.5959 -203222.5533 2221.7346 0.0000 0.0000 51908.1036 -109904.9271 298.3166 -161813.0308 -109541.2381 297.4833 -313.6385 -287.9277 762884.1418 -12.1895 -12.3262 PRESSURE: 4958400 350.318 -50.8702 30.7011 -50.8699 -192.827 139.011 30.7015 139.01 248.859 GPRESSURE: 4958400 389.781 92.7271 17.6113 -128.968 -106.995 176.629 -183.105 -29.0959 204.359 PRESSAVG: 4958400 29.8179 -44.8116 3.51151 -44.8116 -27.1302 16.8563 3.51145 16.8564 13.4263 GPRESSAVG: 4958400 31.0724 -45.1473 5.11313 -44.2681 -28.4077 14.7727 3.22273 17.2711 13.5629 TIMING: 4958400 CPU: 15480.6, 0.00307979/step Wall: 15480.6, 0.00307979/step, 0.0355887 hours remaining, 234.894531 MB of memory in use. ENERGY: 4958400 3891.7200 20552.8564 14410.9938 251.7350 -203660.4113 2837.8468 0.0000 0.0000 51751.1492 -109964.1102 297.4146 -161715.2593 -109600.6025 297.8302 135.4500 162.3819 760742.4259 5.3713 5.4092 PRESSURE: 4958600 -70.6536 -75.6352 -72.507 -75.6359 -122.655 28.421 -72.5079 28.4206 -52.0838 GPRESSURE: 4958600 -69.6201 4.69355 -29.8331 -151.249 -34.468 -20.4402 -39.3812 38.3961 -63.4054 PRESSAVG: 4958600 44.2667 -9.9277 -54.3199 -9.92769 -36.5246 -15.2751 -54.3199 -15.275 11.9201 GPRESSAVG: 4958600 42.9619 -8.32887 -56.497 -10.7721 -35.2115 -13.6861 -54.132 -17.0793 11.865 TIMING: 4958600 CPU: 15481.3, 0.00306931/step Wall: 15481.3, 0.00306931/step, 0.0352971 hours remaining, 234.894531 MB of memory in use. ENERGY: 4958600 3892.1105 20350.4571 14376.0793 243.9101 -203362.1108 2709.5490 0.0000 0.0000 51767.3830 -110022.6218 297.5079 -161790.0047 -109655.9954 297.5286 -81.7974 -55.8312 761068.0849 6.5541 6.5384 PRESSURE: 4958800 16.3454 31.4758 -59.6827 31.4751 -151.249 -24.7182 -59.6825 -24.7188 -239.065 GPRESSURE: 4958800 -10.4615 41.4462 -124.285 -11.0981 -151.697 -44.2063 33.5043 46.0493 -106.634 PRESSAVG: 4958800 15.2894 11.1881 -0.446209 11.1881 6.11286 25.3006 -0.446202 25.3005 -17.6367 GPRESSAVG: 4958800 14.7621 9.08622 1.82489 11.6062 6.80502 23.8252 -2.13538 27.9061 -17.8589 TIMING: 4958800 CPU: 15481.9, 0.00308003/step Wall: 15481.9, 0.00308003/step, 0.0352493 hours remaining, 234.894531 MB of memory in use. ENERGY: 4958800 3946.0380 20250.9815 14417.7099 253.8658 -203027.5530 2542.9495 0.0000 0.0000 51679.9433 -109936.0650 297.0053 -161616.0083 -109573.2929 297.8981 -124.6562 -89.5975 760818.1280 1.2552 1.2361 PRESSURE: 4959000 -260.709 35.3618 51.2105 35.3616 25.3211 8.84709 51.2097 8.84691 -401.685 GPRESSURE: 4959000 -238.608 131.433 79.0989 69.1841 34.4024 73.8657 11.6919 50.496 -346.142 PRESSAVG: 4959000 14.4399 14.5224 14.3141 14.5225 -38.7407 7.8675 14.3141 7.86746 23.1685 GPRESSAVG: 4959000 14.4935 14.8728 13.2368 14.3447 -39.8726 7.96114 16.3412 6.36467 23.5816 TIMING: 4959000 CPU: 15482.5, 0.00309283/step Wall: 15482.5, 0.00309283/step, 0.0352239 hours remaining, 234.894531 MB of memory in use. ENERGY: 4959000 3986.1357 20391.0623 14449.9030 240.3990 -203376.8936 2672.1020 0.0000 0.0000 51838.4987 -109798.7929 297.9166 -161637.2916 -109454.2759 297.9715 -212.3575 -183.4492 760561.1703 -0.3774 -0.5992 PRESSURE: 4959200 -67.3403 -52.5949 12.6016 -52.5955 176.737 -59.3924 12.6014 -59.3937 237.264 GPRESSURE: 4959200 85.5768 -43.4842 54.664 -164.754 5.46 4.99955 53.6285 9.40722 327.904 PRESSAVG: 4959200 -7.16649 26.5843 18.4937 26.5843 33.7445 -31.2213 18.4937 -31.2214 -0.106339 GPRESSAVG: 4959200 -7.00109 26.3377 20.1468 28.392 33.2285 -29.3211 18.9411 -30.3202 -0.737874 TIMING: 4959200 CPU: 15483.1, 0.00309115/step Wall: 15483.1, 0.00309116/step, 0.0350331 hours remaining, 234.894531 MB of memory in use. ENERGY: 4959200 4108.4615 20532.7804 14422.4176 232.9581 -203576.1453 2714.0284 0.0000 0.0000 51807.1288 -109758.3705 297.7363 -161565.4993 -109391.8643 298.0487 115.5539 139.6471 760700.4191 8.8239 8.4965 PRESSURE: 4959400 -125.843 73.2586 -5.36398 73.2585 49.6424 -10.4432 -5.36431 -10.4418 -283.733 GPRESSURE: 4959400 -154.359 10.5822 -74.2875 52.8615 111.954 -66.7209 -28.4267 -71.6532 -240.089 PRESSAVG: 4959400 -23.7628 -6.15329 12.2167 -6.15342 38.0736 -37.2442 12.2167 -37.2442 -22.3178 GPRESSAVG: 4959400 -24.154 -4.98213 11.0758 -7.53736 38.4812 -38.0122 9.40463 -38.9891 -22.3599 TIMING: 4959400 CPU: 15483.7, 0.00308288/step Wall: 15483.7, 0.00308288/step, 0.034768 hours remaining, 234.894531 MB of memory in use. ENERGY: 4959400 3968.1022 20587.5120 14458.6744 223.9107 -203230.7951 2477.0605 0.0000 0.0000 51687.2465 -109828.2889 297.0473 -161515.5354 -109462.1312 298.4169 -119.9779 -94.1644 761340.5642 -2.6690 -2.6776 PRESSURE: 4959600 272.861 119.747 196.374 119.748 -9.84367 89.0723 196.374 89.073 99.8702 GPRESSURE: 4959600 283.871 -31.8617 210.67 112.133 47.4319 38.4879 216.967 94.5018 102.253 PRESSAVG: 4959600 -32.7669 -19.0778 -2.34171 -19.0777 40.6979 -22.3521 -2.34174 -22.3521 13.1816 GPRESSAVG: 4959600 -32.3756 -18.8855 -2.71164 -17.1053 41.6424 -22.432 -0.544313 -20.9981 12.1114 TIMING: 4959600 CPU: 15484.3, 0.00309697/step Wall: 15484.3, 0.00309697/step, 0.0347549 hours remaining, 234.894531 MB of memory in use. ENERGY: 4959600 3933.9263 20298.2483 14341.2774 262.6119 -203526.0216 2702.4735 0.0000 0.0000 52100.3211 -109887.1631 299.4213 -161987.4842 -109519.2545 298.3083 120.9625 144.5186 760440.3724 7.0375 7.1261 PRESSURE: 4959800 240.906 95.8924 188.02 95.8916 250.035 60.8306 188.02 60.8303 -112.485 GPRESSURE: 4959800 377.571 121.82 274.959 80.0544 186.492 6.28993 130.504 71.6211 -87.4212 PRESSAVG: 4959800 13.6709 27.3545 36.5983 27.3545 -29.011 10.0138 36.5983 10.0138 4.95567 GPRESSAVG: 4959800 14.0437 27.0173 36.4746 27.3674 -30.1914 10.7058 36.4846 7.53622 6.14648 TIMING: 4959800 CPU: 15485, 0.00310281/step Wall: 15485, 0.00310281/step, 0.034648 hours remaining, 234.894531 MB of memory in use. ENERGY: 4959800 3875.9994 20379.4652 14429.5921 243.2963 -203800.6186 3022.5975 0.0000 0.0000 51867.8067 -109981.8614 298.0850 -161849.6681 -109616.2633 297.6105 126.1520 158.8804 760797.2434 -3.4615 -3.3337 PRESSURE: 4960000 57.5343 -34.4813 -71.3808 -34.4813 -124.296 134.776 -71.3818 134.777 22.0976 GPRESSURE: 4960000 121.486 18.9286 -29.319 -10.7469 -73.0238 117.562 -37.5474 188.875 -9.62936 PRESSAVG: 4960000 -8.87765 9.49083 26.0796 9.49082 40.9113 -6.96867 26.0795 -6.96867 -0.0349792 GPRESSAVG: 4960000 -7.64876 8.58375 26.2389 9.93959 40.7571 -8.3152 24.4948 -5.19018 -1.4872 TIMING: 4960000 CPU: 15485.6, 0.00310876/step Wall: 15485.6, 0.00310876/step, 0.0345417 hours remaining, 234.894531 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: 4960000 3961.3965 20554.4302 14386.7340 249.2054 -203597.6824 2858.2955 0.0000 0.0000 51709.8138 -109877.8069 297.1770 -161587.6207 -109510.1471 297.8326 -14.8879 12.9444 762782.7523 10.6662 10.5404 PRESSURE: 4960200 -392.206 -123.322 184.517 -123.322 -19.8805 43.1461 184.516 43.1467 -178.576 GPRESSURE: 4960200 -333.384 -86.3932 146.283 -24.3832 33.0999 20.2572 130.984 -158.064 -195.802 PRESSAVG: 4960200 25.2586 21.445 -27.0871 21.445 18.2985 1.44269 -27.0871 1.44267 6.1838 GPRESSAVG: 4960200 24.9606 19.6671 -28.231 21.3952 18.6556 2.2941 -26.7878 0.775247 6.0219 TIMING: 4960200 CPU: 15486.2, 0.00309859/step Wall: 15486.2, 0.00309859/step, 0.0342566 hours remaining, 234.894531 MB of memory in use. ENERGY: 4960200 4019.5750 20523.2831 14348.9982 246.3599 -203408.6840 2447.0628 0.0000 0.0000 51990.1374 -109833.2676 298.7880 -161823.4050 -109479.7694 298.2020 -196.8875 -165.3620 763147.3187 16.5803 16.5460 LDB: ============= START OF LOAD BALANCING ============== 15498.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15498.7 LDB: =============== DONE WITH MIGRATION ================ 15498.7 LDB: ============= START OF LOAD BALANCING ============== 15499 LDB: Largest compute 7070 load 0.030477 is 15.6% of average load 0.195342 LDB: Average compute 0.004395 is 2.2% of average load 0.195342 LDB: TIME 15499 LOAD: AVG 0.195342 MAX 0.214954 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.141 MB LDB: TIME 15499 LOAD: AVG 0.195342 MAX 0.214954 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.141 MB LDB: TIME 15499 LOAD: AVG 0.195342 MAX 0.214954 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.141 MB LDB: ============== END OF LOAD BALANCING =============== 15499 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15499 PRESSURE: 4960400 -233.337 -198.035 -120.892 -198.035 -10.1937 -105.859 -120.893 -105.86 24.8123 GPRESSURE: 4960400 -159.888 -238.357 -158.205 -90.7816 6.05629 -139.179 -124.567 -33.4383 0.985141 PRESSAVG: 4960400 19.9975 33.0064 -56.4161 33.0063 -54.2279 4.31533 -56.4161 4.31531 26.0695 GPRESSAVG: 4960400 19.2716 33.5448 -54.3906 32.077 -53.8016 3.0304 -56.582 5.42891 25.6592 TIMING: 4960400 CPU: 15486.8, 0.00317131/step Wall: 15486.8, 0.00317131/step, 0.0348844 hours remaining, 233.914062 MB of memory in use. ENERGY: 4960400 3895.2299 20268.7614 14323.1217 245.5602 -203365.5837 2745.4062 0.0000 0.0000 52048.0650 -109839.4394 299.1209 -161887.5044 -109472.1128 298.5330 -72.9061 -50.9490 763023.4204 -2.7203 -2.9569 PRESSURE: 4960600 -247.129 -162.703 2.03672 -162.702 -39.0119 250.177 2.03655 250.178 225.456 GPRESSURE: 4960600 -226.999 -75.9157 -11.8417 -226.862 27.8484 177.367 -36.0838 313.435 234.662 PRESSAVG: 4960600 -8.9967 1.90785 -15.7576 1.90791 24.1462 25.9833 -15.7576 25.9833 5.57613 GPRESSAVG: 4960600 -7.93941 4.00736 -17.846 3.25513 23.6023 28.1944 -14.7379 25.227 5.50078 TIMING: 4960600 CPU: 15487.5, 0.00309386/step Wall: 15487.5, 0.00309386/step, 0.0338606 hours remaining, 234.183594 MB of memory in use. ENERGY: 4960600 3950.4233 20443.1568 14444.5235 253.0176 -203153.2986 2570.3225 0.0000 0.0000 51725.5510 -109766.3039 297.2675 -161491.8549 -109403.0229 297.8488 -20.2282 11.8372 762518.7316 6.9085 7.0545 PRESSURE: 4960800 127.36 33.244 -99.2737 33.2446 55.0635 232.878 -99.2733 232.878 228.516 GPRESSURE: 4960800 182.546 -27.6344 -53.1949 -3.82367 73.9694 206.887 -177.143 241.25 262.322 PRESSAVG: 4960800 28.3165 10.0735 -1.06928 10.0735 -6.46086 34.8674 -1.06928 34.8675 13.9097 GPRESSAVG: 4960800 27.5588 8.79937 0.0132703 8.03339 -6.83886 31.6543 -1.44066 35.8872 15.0533 TIMING: 4960800 CPU: 15488.1, 0.0030902/step Wall: 15488.1, 0.0030902/step, 0.0336489 hours remaining, 234.183594 MB of memory in use. ENERGY: 4960800 4032.2746 20404.0778 14422.2529 244.9837 -203333.2507 2682.8884 0.0000 0.0000 51941.4472 -109605.3261 298.5082 -161546.7732 -109249.7297 298.4428 136.9795 172.9458 760671.1701 11.9218 11.9244 PRESSURE: 4961000 41.0817 65.2103 -50.3388 65.2105 -44.5868 28.6596 -50.3388 28.6595 259.19 GPRESSURE: 4961000 -1.4952 104.472 -155.72 18.2646 3.89784 94.8079 83.6395 91.5217 338.033 PRESSAVG: 4961000 41.2059 -15.9678 5.57191 -15.9678 -23.6506 37.9106 5.57188 37.9105 5.56026 GPRESSAVG: 4961000 41.201 -13.6626 5.9504 -16.2907 -23.6709 40.0408 4.95932 38.5429 6.34329 TIMING: 4961000 CPU: 15488.7, 0.00308102/step Wall: 15488.7, 0.00308102/step, 0.0333777 hours remaining, 234.183594 MB of memory in use. ENERGY: 4961000 3991.9304 20353.4838 14422.6210 245.9659 -203654.4578 2794.7481 0.0000 0.0000 52086.7444 -109758.9642 299.3432 -161845.7086 -109387.4364 299.0143 85.2284 113.4786 761010.6385 7.7052 7.9578 PRESSURE: 4961200 376.551 -128.952 175.283 -128.951 -16.956 -75.1458 175.282 -75.1455 587.3 GPRESSURE: 4961200 310.375 -181.944 120.582 -18.0132 73.5012 -126.633 314.398 -62.5208 661.683 PRESSAVG: 4961200 31.103 -10.0558 17.805 -10.0559 5.45676 6.82961 17.805 6.82957 5.4439 GPRESSAVG: 4961200 31.7456 -11.0197 15.7457 -8.67938 6.47622 8.35691 20.7106 6.76763 4.18444 TIMING: 4961200 CPU: 15489.3, 0.00309838/step Wall: 15489.3, 0.00309838/step, 0.0333937 hours remaining, 234.183594 MB of memory in use. ENERGY: 4961200 3982.7376 20437.6243 14402.9991 265.9545 -203745.2162 2970.7147 0.0000 0.0000 51994.1395 -109691.0464 298.8110 -161685.1860 -109331.5637 298.7705 315.6316 348.5199 760212.5517 14.0012 14.1354 PRESSURE: 4961400 -218.66 17.2672 15.3492 17.2678 452.707 -136.927 15.3488 -136.927 -268.751 GPRESSURE: 4961400 -140.047 -90.6208 -20.0099 0.209756 373.76 -113.349 85.0532 -17.7832 -180.235 PRESSAVG: 4961400 30.5104 -20.1198 82.9618 -20.1198 -1.91934 16.6652 82.9619 16.6652 -16.7532 GPRESSAVG: 4961400 31.6649 -21.0668 84.4921 -23.08 -2.48776 15.4599 81.2165 16.223 -16.9681 TIMING: 4961400 CPU: 15489.9, 0.00311183/step Wall: 15489.9, 0.00311183/step, 0.0333657 hours remaining, 234.183594 MB of memory in use. ENERGY: 4961400 3964.7633 20395.1313 14427.8558 249.6485 -203281.2990 2582.5374 0.0000 0.0000 51851.0223 -109810.3405 297.9885 -161661.3628 -109460.1359 298.9924 -11.5680 17.8259 763492.9923 3.9460 4.0697 PRESSURE: 4961600 -237.283 -218.981 22.7239 -218.981 -237.177 -104.455 22.7244 -104.455 148.114 GPRESSURE: 4961600 -172.938 -150.508 102.437 -268.17 -166.616 -13.6315 -5.45729 -222.131 93.1669 PRESSAVG: 4961600 -14.676 37.4617 56.4937 37.4617 11.0455 -19.9797 56.4937 -19.9797 4.72385 GPRESSAVG: 4961600 -15.0482 34.906 55.6043 41.6106 11.0815 -20.0558 55.1314 -21.9228 4.38369 TIMING: 4961600 CPU: 15490.6, 0.00310127/step Wall: 15490.6, 0.00310127/step, 0.0330803 hours remaining, 234.183594 MB of memory in use. ENERGY: 4961600 4051.1251 20467.3443 14473.1473 248.7482 -204036.0537 3027.7725 0.0000 0.0000 52044.4801 -109723.4361 299.1003 -161767.9163 -109369.2057 298.3978 -108.7821 -82.1288 762422.3378 0.3645 0.1390 PRESSURE: 4961800 206.578 117.232 16.7129 117.232 158.829 -7.42475 16.7129 -7.42456 -121.709 GPRESSURE: 4961800 201.52 118.05 -49.0675 144.824 127.771 -53.953 5.54771 8.21027 -15.4003 PRESSAVG: 4961800 0.790656 -12.7034 63.7133 -12.7033 -0.58885 -3.39903 63.7133 -3.39914 -2.33846 GPRESSAVG: 4961800 -1.39185 -10.9759 63.65 -13.6577 0.477038 -2.84612 64.4352 -3.01519 -1.23985 TIMING: 4961800 CPU: 15491.2, 0.00309165/step Wall: 15491.2, 0.00309165/step, 0.0328059 hours remaining, 234.171875 MB of memory in use. ENERGY: 4961800 4019.9878 20395.0650 14348.4788 249.6793 -203564.3095 2904.3854 0.0000 0.0000 52035.4701 -109611.2431 299.0486 -161646.7132 -109249.7292 298.6396 81.2328 104.6304 762695.0023 -0.7122 -0.7182 PRESSURE: 4962000 -197.928 70.4136 -85.029 70.4133 5.76432 -57.9363 -85.0291 -57.9376 215.224 GPRESSURE: 4962000 -78.2401 105.569 -113.621 78.4038 90.9759 18.9264 37.9039 -0.8418 105.827 PRESSAVG: 4962000 0.978951 39.1917 29.655 39.1917 -2.5432 16.8445 29.655 16.8445 -1.94833 GPRESSAVG: 4962000 2.13459 39.8627 29.3743 37.9757 -1.88698 16.7035 30.2689 18.3251 -2.91459 TIMING: 4962000 CPU: 15491.8, 0.00311114/step Wall: 15491.8, 0.00311114/step, 0.0328398 hours remaining, 234.171875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4962000 3991.6911 20335.0827 14379.4463 244.2521 -203470.7560 2753.0578 0.0000 0.0000 52158.6833 -109608.5427 299.7567 -161767.2260 -109258.9215 299.3325 7.6868 39.5208 762388.3624 -1.1709 -0.8890 PRESSURE: 4962200 61.798 -213.091 120.698 -213.091 -87.4294 18.1769 120.698 18.1782 -380.361 GPRESSURE: 4962200 88.2796 -161.862 167.252 -262.654 -89.5988 70.4489 142.234 34.1354 -303.89 PRESSAVG: 4962200 -20.7542 3.92497 25.0867 3.92499 25.8623 0.67811 25.0867 0.678074 3.89961 GPRESSAVG: 4962200 -20.7844 4.81589 26.4135 3.586 25.07 -0.460126 26.6701 2.18335 4.82402 TIMING: 4962200 CPU: 15492.4, 0.00310655/step Wall: 15492.4, 0.00310655/step, 0.0326188 hours remaining, 234.183594 MB of memory in use. ENERGY: 4962200 4058.2457 20364.3452 14412.0864 243.6873 -203420.8745 2776.2311 0.0000 0.0000 52030.7287 -109535.5500 299.0213 -161566.2787 -109174.2403 298.7900 -135.3307 -101.7362 763258.9665 3.0026 3.0366 PRESSURE: 4962400 -97.631 31.5682 202.116 31.568 -222.369 -7.42515 202.116 -7.42362 30.0983 GPRESSURE: 4962400 -135.408 -105.756 219.506 12.8514 -160.808 14.3931 101.697 0.357454 103.108 PRESSAVG: 4962400 -58.6988 -18.7146 8.9441 -18.7147 34.8958 -40.1328 8.94411 -40.1328 -18.8101 GPRESSAVG: 4962400 -59.3129 -20.3012 7.90956 -16.3997 35.3519 -38.596 5.30822 -41.2604 -18.1701 TIMING: 4962400 CPU: 15493, 0.00310978/step Wall: 15493, 0.00310977/step, 0.0324799 hours remaining, 234.183594 MB of memory in use. ENERGY: 4962400 4083.0074 20539.3754 14467.4824 272.7888 -203558.7177 2804.8054 0.0000 0.0000 51847.8623 -109543.3959 297.9704 -161391.2582 -109180.1968 299.1754 -96.6338 -64.3693 763934.9850 -14.2044 -14.0437 PRESSURE: 4962600 -57.5324 235.886 -27.0214 235.886 228.424 89.4325 -27.0203 89.4323 -97.3656 GPRESSURE: 4962600 38.1362 168.098 -45.3533 224.991 231.864 93.6335 -5.73453 126.934 -112.157 PRESSAVG: 4962600 -53.261 27.8222 -4.0868 27.8222 30.2242 -0.9003 -4.08685 -0.900288 -2.12218 GPRESSAVG: 4962600 -50.6544 27.8676 -3.75003 27.5215 29.0675 -1.70993 -3.4832 -2.50576 -3.51124 TIMING: 4962600 CPU: 15493.7, 0.00312579/step Wall: 15493.7, 0.00312579/step, 0.0324735 hours remaining, 234.183594 MB of memory in use. ENERGY: 4962600 3931.2876 20425.7347 14448.0445 237.1450 -203616.4417 2878.1021 0.0000 0.0000 52004.0984 -109692.0295 298.8683 -161696.1279 -109323.1791 298.6756 24.5087 52.6143 761079.1383 -8.3863 -8.3661 PRESSURE: 4962800 -177.547 33.2352 -147.403 33.2346 -21.0605 -71.1247 -147.403 -71.1244 -0.783855 GPRESSURE: 4962800 -125.942 20.89 -109.641 100.616 48.4869 -120.278 -162.574 -111.901 -34.5322 PRESSAVG: 4962800 -17.64 6.89245 -3.37076 6.89245 45.6935 -55.6226 -3.37077 -55.6226 -6.40042 GPRESSAVG: 4962800 -19.3136 5.71193 -3.04417 6.15592 47.0379 -56.1902 -3.68245 -52.5666 -6.08853 TIMING: 4962800 CPU: 15494.3, 0.00310539/step Wall: 15494.3, 0.00310539/step, 0.032089 hours remaining, 234.183594 MB of memory in use. ENERGY: 4962800 3947.7807 20446.7822 14473.3124 235.6756 -203243.8915 2556.9980 0.0000 0.0000 51936.5716 -109646.7710 298.4802 -161583.3426 -109291.3136 298.5390 -66.4637 -37.3292 761515.7759 7.2177 7.2119 PRESSURE: 4963000 -294.971 246.731 -4.89316 246.731 -346.078 -94.6935 -4.89344 -94.6922 -37.564 GPRESSURE: 4963000 -216.658 230.997 -12.022 288.411 -210.961 -69.5379 -19.8918 -103.165 -166.23 PRESSAVG: 4963000 -18.7864 -11.1888 24.6679 -11.1888 1.12729 -28.8346 24.6679 -28.8345 3.86068 GPRESSAVG: 4963000 -19.6661 -5.89123 22.9946 -12.5842 1.77426 -28.0579 25.4993 -30.4005 3.75146 TIMING: 4963000 CPU: 15494.9, 0.00309459/step Wall: 15494.9, 0.00309459/step, 0.0318055 hours remaining, 234.238281 MB of memory in use. ENERGY: 4963000 4044.2633 20658.5257 14388.8664 246.3460 -203539.9470 2689.9255 0.0000 0.0000 52047.5262 -109464.4940 299.1178 -161512.0201 -109107.3295 298.7211 -226.2044 -197.9496 764331.6745 -4.5995 -4.7135 PRESSURE: 4963200 -90.4341 -55.0892 159.208 -55.0888 99.6246 -134.571 159.209 -134.572 -379.895 GPRESSURE: 4963200 -85.1674 -83.1256 131.33 -18.1438 172.156 -145.106 222.788 -57.0972 -376.286 PRESSAVG: 4963200 -13.3907 20.2639 -43.7933 20.264 -1.57521 -26.3064 -43.7932 -26.3065 -5.46036 GPRESSAVG: 4963200 -12.3531 16.604 -42.5692 22.5416 -2.8692 -26.7153 -45.301 -25.1607 -5.00632 TIMING: 4963200 CPU: 15495.5, 0.00310072/step Wall: 15495.5, 0.00310072/step, 0.0316962 hours remaining, 234.238281 MB of memory in use. ENERGY: 4963200 4008.0900 20503.5234 14459.0705 246.9439 -203209.9645 2743.7824 0.0000 0.0000 52042.9420 -109205.6125 299.0915 -161248.5544 -108840.6094 298.9503 -123.5683 -96.4326 762633.3221 -6.8088 -6.7429 PRESSURE: 4963400 -19.3166 33.6343 122.231 33.6345 -243.127 56.8727 122.234 56.8731 -21.129 GPRESSURE: 4963400 75.9024 -45.976 195.373 46.3935 -288.054 114.282 3.14598 52.513 -2.47465 PRESSAVG: 4963400 20.4255 12.0137 6.1856 12.0138 -26.8842 -9.4131 6.18563 -9.4131 1.53495 GPRESSAVG: 4963400 20.4509 13.6622 7.68451 9.255 -27.8841 -7.48888 6.00169 -10.2908 2.22928 TIMING: 4963400 CPU: 15496.1, 0.00310586/step Wall: 15496.1, 0.00310586/step, 0.0315763 hours remaining, 234.238281 MB of memory in use. ENERGY: 4963400 3979.3050 20471.2519 14433.1101 252.0522 -203214.1130 2727.1079 0.0000 0.0000 52114.6264 -109236.6597 299.5035 -161351.2861 -108871.3377 299.3897 -94.5243 -71.5419 763166.4494 -1.6413 -1.7347 PRESSURE: 4963600 508.817 -61.0012 -44.7667 -61.0016 -18.3183 20.9344 -44.7666 20.9343 -296.649 GPRESSURE: 4963600 515.351 -45.6758 -2.64053 -80.5365 19.173 105.217 -169.961 -22.2244 -262.006 PRESSAVG: 4963600 6.16011 31.0724 13.6941 31.0725 8.72391 -43.2035 13.6941 -43.2035 12.1581 GPRESSAVG: 4963600 6.93306 32.5258 12.8145 32.19 10.0222 -44.8334 14.1235 -44.1195 9.74449 TIMING: 4963600 CPU: 15496.8, 0.00309156/step Wall: 15496.8, 0.00309156/step, 0.0312591 hours remaining, 234.238281 MB of memory in use. ENERGY: 4963600 4001.9674 20559.2293 14394.4366 252.7804 -202865.5151 2513.0362 0.0000 0.0000 52155.5201 -108988.5450 299.7385 -161144.0651 -108630.7471 299.6597 64.6165 90.8394 762054.3422 9.0141 8.8999 PRESSURE: 4963800 -419.469 126.995 189.318 126.995 157.64 -64.0481 189.319 -64.0471 -226.391 GPRESSURE: 4963800 -352.9 153.343 221.348 23.3824 76.9635 -53.3874 177.556 4.06005 -131.965 PRESSAVG: 4963800 -4.97765 55.9071 2.09624 55.9071 30.9296 15.5094 2.09625 15.5094 13.7959 GPRESSAVG: 4963800 -5.11721 53.007 1.3955 55.0478 29.658 14.7761 4.62519 19.1555 15.2389 TIMING: 4963800 CPU: 15497.4, 0.00310278/step Wall: 15497.4, 0.00310278/step, 0.0312002 hours remaining, 234.238281 MB of memory in use. ENERGY: 4963800 3958.2751 20649.9472 14455.1441 252.5570 -203064.7732 2856.3592 0.0000 0.0000 52063.7664 -108828.7242 299.2112 -160892.4906 -108460.1360 300.4094 -162.7399 -135.9672 762758.3055 13.2493 13.2599 PRESSURE: 4964000 51.4312 -1.25644 -80.1126 -1.25724 244.102 231.614 -80.1126 231.615 -293.367 GPRESSURE: 4964000 127.907 -37.9536 -20.3505 60.8302 180.185 147.994 -81.323 217.343 -227.981 PRESSAVG: 4964000 -27.3994 -27.0852 -15.1392 -27.0852 28.9864 40.9851 -15.1392 40.985 -7.82913 GPRESSAVG: 4964000 -28.4624 -25.6725 -16.127 -27.0777 30.036 42.354 -16.7937 38.7269 -8.86699 TIMING: 4964000 CPU: 15498, 0.00309619/step Wall: 15498, 0.00309619/step, 0.0309619 hours remaining, 234.226562 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: 4964000 4053.6938 20554.5713 14374.9924 237.6460 -203027.7583 2721.3152 0.0000 0.0000 51969.0148 -109116.5248 298.6666 -161085.5396 -108754.9218 299.3537 0.7220 26.7037 762460.0572 -2.0807 -2.4311 PRESSURE: 4964200 -40.944 122.707 150.456 122.709 238.391 -189.726 150.457 -189.727 398.276 GPRESSURE: 4964200 -48.4874 35.6976 65.822 38.0755 337.727 -203.713 238.956 -174.597 389.509 PRESSAVG: 4964200 -77.7093 76.3912 -12.3614 76.3913 44.8356 -27.8916 -12.3614 -27.8916 18.4101 GPRESSAVG: 4964200 -77.9553 75.2793 -12.4328 76.5477 44.3878 -29.692 -10.9854 -27.4037 18.9877 TIMING: 4964200 CPU: 15498.6, 0.0030856/step Wall: 15498.6, 0.0030856/step, 0.0306845 hours remaining, 234.214844 MB of memory in use. ENERGY: 4964200 4005.8200 20621.7285 14348.2859 243.3521 -203261.7831 2933.5723 0.0000 0.0000 51912.9557 -109196.0686 298.3445 -161109.0243 -108841.5262 299.3830 198.5741 226.2495 762961.1798 -4.8212 -4.8599 LDB: ============= START OF LOAD BALANCING ============== 15511.1 LDB: ============== END OF LOAD BALANCING =============== 15511.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15511.1 LDB: ============= START OF LOAD BALANCING ============== 15511.4 LDB: Largest compute 7077 load 0.030981 is 15.9% of average load 0.195323 LDB: Average compute 0.004408 is 2.3% of average load 0.195323 LDB: TIME 15511.4 LOAD: AVG 0.195323 MAX 0.21951 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.855 MB LDB: TIME 15511.4 LOAD: AVG 0.195323 MAX 0.21951 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.949 MB LDB: TIME 15511.4 LOAD: AVG 0.195323 MAX 0.215565 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.949 MB LDB: ============== END OF LOAD BALANCING =============== 15511.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15511.4 PRESSURE: 4964400 -31.8039 40.1892 95.6722 40.1885 294.206 35.376 95.6716 35.3764 -416.696 GPRESSURE: 4964400 -18.6249 104.195 71.0067 109.639 288.062 104.138 -5.20972 52.1997 -365.284 PRESSAVG: 4964400 -24.8816 30.2907 32.2632 30.2907 43.6671 -80.4753 32.2632 -80.4753 11.3263 GPRESSAVG: 4964400 -25.3343 31.2852 32.6111 29.8265 43.9369 -79.9415 31.719 -80.8077 11.9835 TIMING: 4964400 CPU: 15499.3, 0.0031749/step Wall: 15499.3, 0.0031749/step, 0.0313963 hours remaining, 233.546875 MB of memory in use. ENERGY: 4964400 4021.8209 20562.5959 14355.5860 253.2770 -203586.6376 2815.5315 0.0000 0.0000 52261.2519 -109316.5743 300.3461 -161577.8262 -108954.9494 298.9411 -51.4315 -31.9488 761895.2567 10.0373 10.1954 PRESSURE: 4964600 2.89903 41.2977 -88.5477 41.2975 85.2424 -73.902 -88.5476 -73.9025 12.9511 GPRESSURE: 4964600 83.5814 -19.0447 -145.555 17.0004 90.6173 -184.161 -26.9277 -70.8456 20.5871 PRESSAVG: 4964600 -19.3566 29.5022 24.3354 29.5022 63.8381 -29.496 24.3354 -29.496 7.52977 GPRESSAVG: 4964600 -17.8924 28.4961 24.8991 30.1144 63.0858 -30.478 22.1101 -29.7164 6.69559 TIMING: 4964600 CPU: 15499.9, 0.00309348/step Wall: 15499.9, 0.00309348/step, 0.0304192 hours remaining, 233.546875 MB of memory in use. ENERGY: 4964600 3998.2184 20366.6449 14390.8844 254.6278 -203169.3861 2688.7165 0.0000 0.0000 52181.1536 -109289.1405 299.8858 -161470.2941 -108921.3306 299.2507 33.6975 64.9286 762217.3661 17.3371 17.2963 PRESSURE: 4964800 197.369 87.8148 -115.742 87.8152 80.7288 -96.338 -115.742 -96.3385 -104.099 GPRESSURE: 4964800 192.334 219.288 -130.453 90.7912 150.887 -41.0715 56.6469 -79.7386 -86.0701 PRESSAVG: 4964800 -15.2122 9.00267 24.5302 9.0026 8.03836 -45.1286 24.5302 -45.1286 6.81488 GPRESSAVG: 4964800 -16.0871 9.77247 25.8189 8.19463 7.91769 -45.0349 25.8755 -44.698 7.46522 TIMING: 4964800 CPU: 15500.5, 0.00312137/step Wall: 15500.5, 0.00312137/step, 0.03052 hours remaining, 233.546875 MB of memory in use. ENERGY: 4964800 3991.0053 20570.8625 14419.7058 242.7581 -203098.2496 2835.2816 0.0000 0.0000 51862.3221 -109176.3142 298.0535 -161038.6363 -108817.8293 299.1929 57.9997 85.7168 763225.8531 -0.1197 -0.2347 PRESSURE: 4965000 151.174 -119.943 80.4728 -119.944 226.667 95.6903 80.4734 95.6902 -61.3843 GPRESSURE: 4965000 180.369 -63.0594 53.4968 -223.205 240.711 81.7616 211.57 124.118 -38.6961 PRESSAVG: 4965000 -48.2023 24.5602 -16.5862 24.5602 41.5252 16.4221 -16.5862 16.4221 -6.19775 GPRESSAVG: 4965000 -48.4561 25.8175 -17.2652 26.182 42.4667 18.0041 -15.8198 16.3955 -6.51316 TIMING: 4965000 CPU: 15501.1, 0.00309133/step Wall: 15501.1, 0.00309133/step, 0.0300546 hours remaining, 233.535156 MB of memory in use. ENERGY: 4965000 4039.9764 20549.5227 14429.0855 236.3842 -203471.9454 2885.8365 0.0000 0.0000 52217.1087 -109114.0313 300.0924 -161331.1400 -108746.9231 299.3275 105.4855 127.4612 763174.1877 -4.2916 -4.1675 PRESSURE: 4965200 4.13838 150.888 150.48 150.888 -195.821 -248.577 150.48 -248.577 -107.663 GPRESSURE: 4965200 138.744 157.366 51.9308 138.469 -173.492 -277.344 236.745 -242.066 -178.339 PRESSAVG: 4965200 -3.73783 -17.0941 34.7245 -17.0941 31.8595 38.5143 34.7245 38.5142 9.79486 GPRESSAVG: 4965200 -4.47878 -18.6395 34.8667 -17.6483 32.002 38.9627 35.1397 38.6209 10.2542 TIMING: 4965200 CPU: 15501.7, 0.00309049/step Wall: 15501.7, 0.00309049/step, 0.0298747 hours remaining, 233.546875 MB of memory in use. ENERGY: 4965200 4033.6886 20530.9016 14446.6788 241.0195 -203238.0280 2918.5023 0.0000 0.0000 52172.5940 -108894.6431 299.8366 -161067.2371 -108525.1070 299.8445 -99.7818 -71.0291 764155.3217 12.6389 12.5925 PRESSURE: 4965400 28.0928 172.307 -139.045 172.306 145.82 137.161 -139.045 137.16 74.321 GPRESSURE: 4965400 -0.589898 224.944 -162.325 122.215 185.25 154.516 -216.904 145.563 137.478 PRESSAVG: 4965400 -38.9843 9.41463 7.46462 9.4146 32.7852 11.8355 7.46458 11.8355 -0.0175187 GPRESSAVG: 4965400 -38.8123 8.98578 9.44666 8.82151 32.3096 11.0303 5.81079 12.2738 0.577469 TIMING: 4965400 CPU: 15502.4, 0.0030961/step Wall: 15502.4, 0.0030961/step, 0.029757 hours remaining, 233.546875 MB of memory in use. ENERGY: 4965400 4071.0594 20514.0304 14480.5185 246.9064 -203218.2040 2814.0787 0.0000 0.0000 52122.6687 -108968.9420 299.5497 -161091.6107 -108603.6986 299.8846 82.7445 107.3795 761763.9984 -2.0722 -1.9751 PRESSURE: 4965600 -155.702 -116.681 -15.2738 -116.682 237.006 59.3329 -15.274 59.3329 -579.564 GPRESSURE: 4965600 -108.166 -206.441 -26.6295 -121.264 214.522 93.3955 -41.5794 26.0116 -523.68 PRESSAVG: 4965600 26.203 23.5185 45.7542 23.5184 -22.27 -35.2579 45.7542 -35.2578 -16.9142 GPRESSAVG: 4965600 26.0147 25.3678 45.8046 24.1115 -20.9678 -34.5605 46.1479 -35.5163 -17.8135 TIMING: 4965600 CPU: 15503, 0.0030781/step Wall: 15503, 0.0030781/step, 0.029413 hours remaining, 233.546875 MB of memory in use. ENERGY: 4965600 3951.0453 20692.5781 14418.9571 247.6244 -202612.5607 2597.4242 0.0000 0.0000 51699.0376 -109005.8940 297.1151 -160704.9317 -108660.5356 299.6389 -166.0865 -139.1081 765303.3283 -4.3271 -4.2556 PRESSURE: 4965800 68.9217 54.1464 -59.0736 54.1471 162.481 -41.87 -59.0746 -41.8696 324.966 GPRESSURE: 4965800 124.717 12.2378 -67.0799 52.021 244.396 -23.892 2.0964 -51.6392 292.93 PRESSAVG: 4965800 -39.0591 51.0762 -1.10263 51.0763 13.7618 9.17626 -1.10265 9.1763 0.762157 GPRESSAVG: 4965800 -37.7778 48.3682 -1.78329 51.4787 12.9078 9.7102 -0.0175918 7.43986 0.510011 TIMING: 4965800 CPU: 15503.6, 0.00306902/step Wall: 15503.6, 0.00306902/step, 0.0291557 hours remaining, 233.546875 MB of memory in use. ENERGY: 4965800 4027.2880 20605.0828 14412.1280 223.2861 -203146.7637 2806.5293 0.0000 0.0000 52136.7952 -108935.6543 299.6309 -161072.4494 -108579.3516 299.9532 185.4561 220.6808 762310.7428 -8.1784 -8.1200 PRESSURE: 4966000 5.59974 -7.90098 205.957 -7.90098 25.2527 -103.151 205.957 -103.151 -261.297 GPRESSURE: 4966000 -0.917241 -37.6941 245.622 -56.4531 14.4442 -23.2199 142.479 -60.3818 -181.272 PRESSAVG: 4966000 -31.6323 3.51916 38.1657 3.51918 72.4348 16.0699 38.1657 16.0699 9.82925 GPRESSAVG: 4966000 -30.8869 4.60886 37.2408 2.02858 70.8601 14.5274 37.2441 16.5352 10.3998 TIMING: 4966000 CPU: 15504.2, 0.00308649/step Wall: 15504.2, 0.00308649/step, 0.0291502 hours remaining, 233.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4966000 4025.7915 20572.2425 14439.0559 255.0454 -202948.8333 2662.6325 0.0000 0.0000 52126.5333 -108867.5323 299.5719 -160994.0656 -108523.5154 300.0701 -76.8150 -55.9149 762525.4080 16.8772 16.7910 PRESSURE: 4966200 40.6793 -68.7482 22.3718 -68.7481 94.2197 102.274 22.3718 102.275 198.726 GPRESSURE: 4966200 145.912 -80.4741 -75.3232 -106.444 112.382 64.5109 98.9219 41.0645 147.226 PRESSAVG: 4966200 -48.487 33.1581 -2.62379 33.1581 88.3216 43.1849 -2.62375 43.1848 -8.45205 GPRESSAVG: 4966200 -48.8423 34.8514 -2.12709 32.949 90.0679 43.9134 -1.86946 43.6716 -9.6939 TIMING: 4966200 CPU: 15504.8, 0.00310371/step Wall: 15504.8, 0.00310371/step, 0.0291404 hours remaining, 233.546875 MB of memory in use. ENERGY: 4966200 4047.3107 20624.6786 14425.4005 245.5502 -203139.3849 2631.2091 0.0000 0.0000 52245.9518 -108919.2840 300.2582 -161165.2358 -108566.6942 300.2004 111.2083 135.1734 762619.1559 10.4609 10.5106 PRESSURE: 4966400 38.7274 80.1876 -63.2834 80.1876 191.382 145.261 -63.283 145.261 188.474 GPRESSURE: 4966400 130.528 -42.3786 28.0224 21.4577 151.943 113.838 -120.279 81.3193 250.246 PRESSAVG: 4966400 -54.0625 -11.1601 7.83286 -11.1601 5.59993 41.9134 7.83275 41.9134 9.45306 GPRESSAVG: 4966400 -54.2459 -13.0566 8.40437 -11.5261 4.41362 41.1275 6.05478 41.4467 11.006 TIMING: 4966400 CPU: 15505.4, 0.00308765/step Wall: 15505.4, 0.00308765/step, 0.0288181 hours remaining, 233.546875 MB of memory in use. ENERGY: 4966400 4039.1155 20524.6029 14425.4913 259.1990 -203002.0126 2694.5710 0.0000 0.0000 52249.5655 -108809.4673 300.2790 -161059.0328 -108441.5531 299.7595 139.5279 177.5722 762166.0705 -13.0032 -12.9421 PRESSURE: 4966600 -63.1082 -265.256 -132.329 -265.255 16.525 -147.132 -132.328 -147.132 295.465 GPRESSURE: 4966600 -75.0919 -170.683 -69.8351 -203.193 85.5086 -46.4398 -177.601 -142.352 327.057 PRESSAVG: 4966600 -15.3848 2.33716 10.0534 2.3371 73.0484 22.9011 10.0535 22.9012 20.0802 GPRESSAVG: 4966600 -15.4505 1.15214 10.0202 5.61773 74.0684 23.4371 10.6208 23.6184 19.1222 TIMING: 4966600 CPU: 15506.1, 0.00307619/step Wall: 15506.1, 0.00307619/step, 0.0285402 hours remaining, 233.546875 MB of memory in use. ENERGY: 4966600 4035.0961 20557.8177 14461.0522 233.7675 -203137.7496 2853.5494 0.0000 0.0000 52230.2406 -108766.2261 300.1679 -160996.4667 -108407.5854 300.1842 82.9604 112.4912 761716.3480 25.9146 25.9134 PRESSURE: 4966800 -33.5824 -28.5017 148.124 -28.5026 -8.9322 109.248 148.124 109.248 47.095 GPRESSURE: 4966800 46.622 19.7712 169.822 -112.173 18.696 186.434 60.0263 173.628 12.8195 PRESSAVG: 4966800 -30.7745 -27.5228 16.2757 -27.5229 0.831227 1.59238 16.2757 1.59237 5.10677 GPRESSAVG: 4966800 -30.8157 -25.2196 15.0127 -30.1701 -0.134571 0.751195 15.7448 2.61997 5.88887 TIMING: 4966800 CPU: 15506.7, 0.00309049/step Wall: 15506.7, 0.00309049/step, 0.0285012 hours remaining, 233.546875 MB of memory in use. ENERGY: 4966800 4040.6823 20398.5914 14440.7078 251.9012 -203077.3193 2802.1189 0.0000 0.0000 52404.3151 -108739.0026 301.1683 -161143.3177 -108361.1501 300.6643 1.5268 26.0458 764711.1312 -8.2788 -8.3538 PRESSURE: 4967000 -176.182 -120.787 32.5567 -120.786 -67.5976 83.3754 32.5559 83.3759 -189.683 GPRESSURE: 4967000 -48.1636 -53.7407 -41.5775 -193.554 -80.7887 133.215 103.074 10.5606 -221.287 PRESSAVG: 4967000 -35.3204 18.0254 4.88867 18.0254 25.601 -0.287476 4.88858 -0.287488 18.4446 GPRESSAVG: 4967000 -34.6584 18.6924 5.84173 16.4306 24.9911 1.60809 6.1873 -3.01382 17.8724 TIMING: 4967000 CPU: 15507.3, 0.00309589/step Wall: 15507.3, 0.00309589/step, 0.028379 hours remaining, 233.546875 MB of memory in use. ENERGY: 4967000 4137.0739 20621.0191 14450.2155 261.0327 -203331.2382 2783.3437 0.0000 0.0000 52215.0999 -108863.4535 300.0809 -161078.5534 -108502.9119 300.4130 -144.4877 -116.7464 763030.6555 2.9084 2.7350 PRESSURE: 4967200 168.701 26.2552 35.5316 26.2557 -266.873 -205.609 35.5312 -205.609 -237.761 GPRESSURE: 4967200 111.457 76.6906 133.524 49.4294 -198.206 -230.457 146.936 -184.85 -158.808 PRESSAVG: 4967200 -46.4561 11.2929 116.371 11.2929 56.6164 -8.11377 116.371 -8.11369 -3.1263 GPRESSAVG: 4967200 -47.4413 10.1006 115.271 14.2964 57.3754 -9.89292 116.165 -4.6136 -2.21379 TIMING: 4967200 CPU: 15507.9, 0.00309604/step Wall: 15507.9, 0.00309604/step, 0.0282084 hours remaining, 233.546875 MB of memory in use. ENERGY: 4967200 3988.8623 20606.6950 14439.9682 254.6148 -202851.1883 2371.3602 0.0000 0.0000 52300.5468 -108889.1410 300.5720 -161189.6878 -108520.6101 299.9658 -111.9777 -81.8525 764129.8868 2.3447 2.5734 PRESSURE: 4967400 207.54 79.9848 -145.947 79.9854 114.213 188.345 -145.947 188.346 -100.018 GPRESSURE: 4967400 202.721 59.8592 -221.743 81.2885 169.449 149.663 -44.8706 153.226 -81.1754 PRESSAVG: 4967400 12.8757 30.8032 11.2175 30.8032 -33.1243 0.205773 11.2175 0.205859 -0.822743 GPRESSAVG: 4967400 13.3947 31.8365 11.4231 30.4599 -32.8141 -0.753198 9.8718 -0.829727 -1.9144 TIMING: 4967400 CPU: 15508.5, 0.0030936/step Wall: 15508.5, 0.0030936/step, 0.0280143 hours remaining, 233.535156 MB of memory in use. ENERGY: 4967400 4023.6832 20664.7979 14434.6673 254.8514 -203400.3579 2927.3793 0.0000 0.0000 52231.0123 -108863.9665 300.1723 -161094.9788 -108488.8682 300.1398 73.9117 96.9983 763438.6638 -7.0238 -7.1113 PRESSURE: 4967600 -253.296 -48.4675 47.9439 -48.4672 149.08 -160.407 47.9436 -160.406 -86.3239 GPRESSURE: 4967600 -135.299 -92.1976 97.027 -90.2075 186.683 -169.076 121.267 -87.7593 -152.989 PRESSAVG: 4967600 -13.0193 -34.4738 39.8506 -34.4738 50.5813 4.48203 39.8506 4.48204 -32.2607 GPRESSAVG: 4967600 -13.7981 -36.5632 40.7173 -33.9931 51.5222 4.52001 39.0099 5.64947 -32.6295 TIMING: 4967600 CPU: 15509.2, 0.00310364/step Wall: 15509.2, 0.00310364/step, 0.0279328 hours remaining, 233.546875 MB of memory in use. ENERGY: 4967600 3955.2413 20684.6796 14420.4966 248.6715 -203151.0724 2611.7007 0.0000 0.0000 52227.9454 -109002.3372 300.1547 -161230.2826 -108636.4630 299.9385 -63.5132 -33.8682 761771.8051 1.7671 1.6982 PRESSURE: 4967800 -129.347 -122.732 65.3648 -122.731 316.467 27.9707 65.3651 27.9705 104.718 GPRESSURE: 4967800 -12.7928 -82.8929 86.1731 -160.325 264.141 57.4552 59.261 17.4741 118.589 PRESSAVG: 4967800 -50.901 64.5123 -2.77402 64.5123 55.0588 53.7416 -2.77409 53.7416 20.6145 GPRESSAVG: 4967800 -49.8611 66.2146 -2.56869 64.5193 53.4867 53.6431 -2.518 51.6728 21.4236 TIMING: 4967800 CPU: 15509.8, 0.00308794/step Wall: 15509.8, 0.00308794/step, 0.0276199 hours remaining, 233.546875 MB of memory in use. ENERGY: 4967800 3963.6704 20778.0302 14417.6297 259.5823 -203537.1991 2964.1650 0.0000 0.0000 52058.1542 -109095.9675 299.1789 -161154.1216 -108735.8290 300.1167 97.2792 123.3123 761647.2194 8.2574 8.3497 PRESSURE: 4968000 -300.855 -10.4396 -54.9675 -10.4398 -545.316 -253.904 -54.9671 -253.904 23.9814 GPRESSURE: 4968000 -253.792 18.6207 -4.15575 -62.1513 -481.402 -273.514 -16.3528 -166.698 -2.60306 PRESSAVG: 4968000 3.02779 56.2065 7.45676 56.2064 60.2903 16.7082 7.45684 16.7082 20.2193 GPRESSAVG: 4968000 4.48528 57.4554 7.41426 54.7121 60.1515 18.4467 8.60696 16.6757 18.9328 TIMING: 4968000 CPU: 15510.4, 0.00308755/step Wall: 15510.4, 0.00308755/step, 0.0274449 hours remaining, 233.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4968000 4060.0113 20633.4245 14424.9941 234.0596 -202703.7026 2208.7763 0.0000 0.0000 51937.4899 -109204.9468 298.4855 -161142.4367 -108848.2386 299.7541 -274.0630 -245.9322 763740.0944 27.8458 27.8565 PRESSURE: 4968200 -117.757 0.517756 31.9481 0.517367 -66.9299 222.845 31.9478 222.847 -433.364 GPRESSURE: 4968200 -68.8542 88.6753 11.6642 30.857 -25.5599 164.155 83.2758 239.942 -448.812 PRESSAVG: 4968200 -56.3712 62.4881 36.2126 62.488 53.5577 19.5976 36.2126 19.5975 -0.902206 GPRESSAVG: 4968200 -58.2314 60.9939 35.4304 63.7774 53.7527 17.5299 37.2513 20.2583 0.511458 TIMING: 4968200 CPU: 15511, 0.00310083/step Wall: 15511, 0.00310083/step, 0.0273906 hours remaining, 233.546875 MB of memory in use. ENERGY: 4968200 3961.2296 20495.4868 14405.6826 235.1919 -203337.0722 2697.9462 0.0000 0.0000 52378.0092 -109163.5259 301.0171 -161541.5351 -108786.3608 299.4455 -206.0169 -181.0753 762466.8146 -1.2386 -1.3224 LDB: ============= START OF LOAD BALANCING ============== 15523.5 LDB: ============== END OF LOAD BALANCING =============== 15523.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15523.5 LDB: ============= START OF LOAD BALANCING ============== 15523.8 LDB: Largest compute 7060 load 0.031176 is 16.0% of average load 0.195329 LDB: Average compute 0.004400 is 2.3% of average load 0.195329 LDB: TIME 15523.8 LOAD: AVG 0.195329 MAX 0.212981 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.086 MB LDB: TIME 15523.8 LOAD: AVG 0.195329 MAX 0.212981 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.148 MB LDB: TIME 15523.8 LOAD: AVG 0.195329 MAX 0.212981 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.148 MB LDB: ============== END OF LOAD BALANCING =============== 15523.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15523.8 PRESSURE: 4968400 -60.6159 72.4962 -43.0677 72.496 113.973 36.9038 -43.0677 36.905 77.7771 GPRESSURE: 4968400 -55.727 44.3266 -6.51705 115.233 128.023 12.6954 32.1611 51.271 150.892 PRESSAVG: 4968400 -47.9669 13.5929 40.3434 13.593 40.6696 -44.1503 40.3434 -44.1503 -2.62504 GPRESSAVG: 4968400 -49.4684 15.1552 43.1804 14.1866 41.3433 -41.5764 39.807 -45.5155 -1.92927 TIMING: 4968400 CPU: 15511.6, 0.00316472/step Wall: 15511.6, 0.00316472/step, 0.0277792 hours remaining, 233.343750 MB of memory in use. ENERGY: 4968400 4004.9303 20656.4119 14438.6767 251.2533 -202818.5392 2437.8141 0.0000 0.0000 52268.1741 -108761.2787 300.3859 -161029.4529 -108411.1169 300.5593 43.7115 74.3963 763412.8481 -3.3074 -3.3514 PRESSURE: 4968600 -12.7189 -6.35047 -221.929 -6.35036 374.277 -54.4028 -221.927 -54.4058 -27.5948 GPRESSURE: 4968600 82.6019 -110.194 -196.058 -69.7068 315.091 -25.4931 -273.176 14.3517 26.9637 PRESSAVG: 4968600 -45.0922 24.0871 45.3763 24.0871 41.431 -4.70623 45.3763 -4.70622 -2.95564 GPRESSAVG: 4968600 -43.5448 22.7428 42.9954 21.2714 40.627 -5.32109 45.3378 -3.9554 -3.38682 TIMING: 4968600 CPU: 15512.3, 0.00311023/step Wall: 15512.3, 0.00311023/step, 0.0271281 hours remaining, 233.343750 MB of memory in use. ENERGY: 4968600 3959.1941 20479.1569 14444.0760 237.1608 -203013.2252 2927.8784 0.0000 0.0000 52161.6670 -108804.0920 299.7738 -160965.7590 -108438.9697 300.1811 111.3211 141.5521 765964.9593 -2.2056 -2.1015 PRESSURE: 4968800 76.1816 -225.59 -197.644 -225.589 -75.2591 29.1386 -197.643 29.1383 -155.666 GPRESSURE: 4968800 117.771 -308.127 -153.222 -264.241 -14.3397 7.56333 -299.876 -78.2072 -169.094 PRESSAVG: 4968800 0.821347 -41.5406 40.9231 -41.5406 -36.3455 22.5017 40.9232 22.5017 -28.7704 GPRESSAVG: 4968800 1.36641 -41.7175 40.5444 -42.431 -36.0728 21.1783 42.3808 21.0085 -29.7949 TIMING: 4968800 CPU: 15512.9, 0.00311583/step Wall: 15512.9, 0.00311583/step, 0.0270039 hours remaining, 233.343750 MB of memory in use. ENERGY: 4968800 4080.2706 20494.1564 14342.8851 256.4200 -203224.5192 2864.3296 0.0000 0.0000 52128.2592 -109058.1983 299.5818 -161186.4575 -108694.5698 299.9710 -51.5811 -21.8874 765347.9418 -21.4315 -21.5004 PRESSURE: 4969000 157.068 57.0591 58.8559 57.059 59.0346 -219.563 58.8558 -219.563 164.722 GPRESSURE: 4969000 129.931 -57.7901 64.3008 72.1146 130.293 -241.439 64.3832 -58.9773 207.982 PRESSAVG: 4969000 12.0187 -30.288 31.3584 -30.2879 58.6516 -46.2787 31.3584 -46.2786 3.11446 GPRESSAVG: 4969000 11.1243 -29.6735 31.9077 -27.6057 59.3404 -45.2317 28.9021 -45.2938 3.45147 TIMING: 4969000 CPU: 15513.5, 0.00314615/step Wall: 15513.5, 0.00314615/step, 0.0270918 hours remaining, 233.343750 MB of memory in use. ENERGY: 4969000 4014.9766 20540.3415 14392.2699 237.0282 -203401.0534 2928.6791 0.0000 0.0000 52079.0084 -109208.7498 299.2988 -161287.7582 -108839.0840 299.7834 126.9415 156.0689 762850.6725 24.5949 24.6387 PRESSURE: 4969200 -585.051 -41.1171 211.343 -41.1175 -31.9738 -140.782 211.343 -140.782 -446.427 GPRESSURE: 4969200 -453.549 -81.3622 168.674 -75.5156 -29.9616 -138.917 222.371 -243.123 -464.878 PRESSAVG: 4969200 -21.7946 -9.21298 46.9897 -9.21294 -1.66928 -34.2684 46.9897 -34.2684 -35.114 GPRESSAVG: 4969200 -20.3798 -8.73288 46.9563 -10.2438 -2.80985 -34.4708 47.6366 -33.9323 -35.3933 TIMING: 4969200 CPU: 15514.1, 0.00312639/step Wall: 15514.1, 0.00312639/step, 0.026748 hours remaining, 233.343750 MB of memory in use. ENERGY: 4969200 4038.7597 20421.4204 14390.8470 262.4508 -203127.5261 2595.0372 0.0000 0.0000 52070.3627 -109348.6485 299.2491 -161419.0111 -108975.0464 299.2582 -354.4837 -316.1298 764505.4300 -19.5260 -19.5277 PRESSURE: 4969400 4.38248 191.075 41.9958 191.075 204.841 35.1221 41.9955 35.1227 63.837 GPRESSURE: 4969400 -5.69658 102.163 -123.052 196.188 271.387 70.1781 132.318 92.7089 85.1391 PRESSAVG: 4969400 -18.7941 44.7439 26.1742 44.7439 28.9862 -61.7675 26.1742 -61.7674 -1.86558 GPRESSAVG: 4969400 -19.9616 44.7204 25.9529 43.7056 29.2661 -60.9659 27.5676 -61.6649 -1.01233 TIMING: 4969400 CPU: 15514.8, 0.0031172/step Wall: 15514.8, 0.0031172/step, 0.0264962 hours remaining, 233.343750 MB of memory in use. ENERGY: 4969400 3921.3680 20499.3573 14446.9997 239.9818 -203003.1636 2576.4677 0.0000 0.0000 52052.9545 -109266.0345 299.1490 -161318.9890 -108890.8677 298.7935 91.0200 116.9431 763678.9633 2.7755 2.7641 PRESSURE: 4969600 -180.994 304.749 232.219 304.749 -108.725 -161.769 232.22 -161.769 -55.5371 GPRESSURE: 4969600 -188.293 159.097 259.415 320.789 -56.3563 -172.898 115.405 -150.079 -11.373 PRESSAVG: 4969600 4.03047 10.0774 -9.43617 10.0774 4.94004 -16.2721 -9.43621 -16.2721 -0.24101 GPRESSAVG: 4969600 5.2076 6.48211 -9.00018 12.2112 5.17553 -17.3192 -10.189 -16.6178 -1.1633 TIMING: 4969600 CPU: 15515.4, 0.00310234/step Wall: 15515.4, 0.00310234/step, 0.0261976 hours remaining, 233.343750 MB of memory in use. ENERGY: 4969600 3896.2916 20600.0918 14465.5891 272.0069 -203268.1988 2570.3979 0.0000 0.0000 52250.4497 -109213.3719 300.2841 -161463.8216 -108856.1800 299.9560 -115.0853 -85.3406 762618.8470 2.9098 3.0733 PRESSURE: 4969800 -145.595 -114.724 -282.507 -114.723 394.356 233.68 -282.507 233.679 -141.007 GPRESSURE: 4969800 -1.14632 -6.1595 -253.771 -169.616 339.662 263.621 -209.646 246.46 -128.407 PRESSAVG: 4969800 -24.0206 -21.8569 -21.2678 -21.857 6.55819 -15.3953 -21.2677 -15.3953 -10.0914 GPRESSAVG: 4969800 -23.1623 -18.5037 -19.4286 -24.2323 6.1033 -14.7181 -22.675 -13.2191 -9.66835 TIMING: 4969800 CPU: 15516, 0.00312084/step Wall: 15516, 0.00312084/step, 0.0261804 hours remaining, 233.343750 MB of memory in use. ENERGY: 4969800 3945.3115 20474.8229 14501.0304 244.5237 -203419.8307 2765.7564 0.0000 0.0000 52020.3362 -109468.0497 298.9616 -161488.3859 -109110.3867 299.3034 35.9179 70.0360 762515.8822 -9.1846 -8.9091 PRESSURE: 4970000 -45.8106 -143.541 144.028 -143.541 111.774 154.329 144.028 154.329 356.899 GPRESSURE: 4970000 79.7385 -180.647 125.099 -103.096 76.9695 86.0281 239.806 159.89 360.322 PRESSAVG: 4970000 4.70911 -14.9565 33.1567 -14.9565 2.40597 -55.1315 33.1567 -55.1316 -3.74826 GPRESSAVG: 4970000 2.51113 -14.8031 31.8921 -13.5825 3.95167 -57.4266 36.2366 -56.0258 -3.39108 TIMING: 4970000 CPU: 15516.6, 0.00311181/step Wall: 15516.6, 0.00311181/step, 0.0259318 hours remaining, 233.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4970000 3867.0747 20634.5319 14404.6941 253.8096 -203121.6697 2561.1382 0.0000 0.0000 52082.4588 -109317.9624 299.3186 -161400.4212 -108947.9283 298.4301 140.9542 172.3433 762023.5515 1.1223 1.0239 PRESSURE: 4970200 355.837 33.2906 160.18 33.29 -29.7962 -187.166 160.18 -187.165 643.571 GPRESSURE: 4970200 386.952 -38.6903 159.22 64.5201 26.5336 -100.617 79.714 -179.542 630.664 PRESSAVG: 4970200 5.98086 -39.1893 6.2811 -39.1893 39.2655 -30.1255 6.28104 -30.1255 28.052 GPRESSAVG: 4970200 7.03604 -38.3005 6.54836 -39.7929 38.4816 -27.975 4.2576 -31.3502 27.7101 TIMING: 4970200 CPU: 15517.3, 0.00310129/step Wall: 15517.3, 0.00310129/step, 0.0256718 hours remaining, 233.738281 MB of memory in use. ENERGY: 4970200 3922.5836 20592.9305 14402.0168 245.0906 -203603.8596 2961.5341 0.0000 0.0000 52145.1982 -109334.5058 299.6792 -161479.7040 -108978.5119 299.1020 323.2042 348.0500 760777.1624 24.4328 24.4093 PRESSURE: 4970400 -55.6851 43.8835 230.635 43.8835 -375.662 -195.752 230.635 -195.752 -35.8734 GPRESSURE: 4970400 -71.5716 26.3063 128.456 37.2638 -264.279 -228.338 219.243 -209.034 -36.6942 PRESSAVG: 4970400 -13.1862 14.5428 8.50673 14.5429 26.5396 1.6545 8.50681 1.65449 -6.2604 GPRESSAVG: 4970400 -13.2817 11.27 7.31786 13.7891 26.5997 1.50232 8.52766 2.59549 -6.50184 TIMING: 4970400 CPU: 15517.9, 0.00309284/step Wall: 15517.9, 0.00309284/step, 0.0254301 hours remaining, 233.738281 MB of memory in use. ENERGY: 4970400 3989.7948 20535.9879 14448.6069 233.9180 -203269.2297 2680.0196 0.0000 0.0000 52256.5791 -109124.3235 300.3193 -161380.9026 -108762.8610 299.3495 -155.7403 -124.1816 761612.3751 2.3644 2.2720 PRESSURE: 4970600 -6.43996 92.6352 -73.3479 92.635 291.917 -148.306 -73.3484 -148.307 -116.245 GPRESSURE: 4970600 105.772 149.618 -82.2179 121.572 194.538 -139.005 -134.272 -52.0716 -53.8968 PRESSAVG: 4970600 -24.3831 41.9604 45.2536 41.9604 7.84892 31.0197 45.2536 31.0197 7.48393 GPRESSAVG: 4970600 -24.1511 42.9318 45.5974 43.1495 7.27387 30.5722 46.3681 28.6118 7.57417 TIMING: 4970600 CPU: 15518.5, 0.00308455/step Wall: 15518.5, 0.00308455/step, 0.0251905 hours remaining, 233.726562 MB of memory in use. ENERGY: 4970600 3938.5851 20462.4853 14382.6859 232.6780 -202869.5705 2562.3545 0.0000 0.0000 52244.7350 -109046.0468 300.2512 -161290.7818 -108678.9702 299.7616 56.4109 82.1377 761161.4528 -3.0168 -3.1010 PRESSURE: 4970800 45.4778 -55.8302 16.7003 -55.8304 -232.759 -81.1828 16.7002 -81.1833 241.573 GPRESSURE: 4970800 14.4174 -118.384 -1.68868 0.220675 -177.065 -70.4326 -65.8185 -17.5456 272.123 PRESSAVG: 4970800 -11.9532 30.3428 15.7039 30.3428 -26.9492 29.1699 15.7039 29.1699 -3.24287 GPRESSAVG: 4970800 -12.3868 31.892 14.8845 28.8633 -27.2496 30.1676 16.4981 32.0714 -2.98561 TIMING: 4970800 CPU: 15519.1, 0.00309662/step Wall: 15519.1, 0.00309662/step, 0.025117 hours remaining, 233.714844 MB of memory in use. ENERGY: 4970800 4026.5442 20564.5259 14376.9596 253.6750 -203143.8952 2737.2981 0.0000 0.0000 52134.2862 -109050.6061 299.6165 -161184.8923 -108699.3172 299.4077 18.0974 36.4919 761852.1345 -14.0485 -14.2073 PRESSURE: 4971000 228.631 136.335 50.7312 136.336 -21.9328 -43.9765 50.7314 -43.9759 -419.653 GPRESSURE: 4971000 240.651 116.956 95.5622 81.0164 -27.537 7.44714 -95.8003 -75.9381 -322.214 PRESSAVG: 4971000 16.027 -59.9411 11.5603 -59.9412 1.60419 55.4012 11.5603 55.4012 -4.51443 GPRESSAVG: 4971000 16.0543 -61.2613 14.3617 -58.9701 0.985728 54.995 10.3778 54.7578 -4.21424 TIMING: 4971000 CPU: 15519.7, 0.00310453/step Wall: 15519.7, 0.00310453/step, 0.0250087 hours remaining, 233.714844 MB of memory in use. ENERGY: 4971000 4019.6892 20797.8234 14440.5891 247.8781 -203516.5203 2817.2119 0.0000 0.0000 52092.6519 -109100.6766 299.3772 -161193.3285 -108748.3004 300.0007 -70.9848 -36.3666 760829.8455 4.3723 4.2753 PRESSURE: 4971200 -114.309 -124.964 105.24 -124.964 14.2632 69.758 105.24 69.7578 -139.41 GPRESSURE: 4971200 -56.2569 -193.781 104.728 -41.95 15.8521 119.096 142.552 70.4915 -113.886 PRESSAVG: 4971200 44.1122 -15.098 39.9588 -15.0981 -29.583 11.8047 39.9588 11.8047 -4.04381 GPRESSAVG: 4971200 43.8317 -14.371 39.3669 -14.0867 -28.6149 12.5798 40.0985 11.805 -4.86608 TIMING: 4971200 CPU: 15520.3, 0.00310354/step Wall: 15520.3, 0.00310354/step, 0.0248283 hours remaining, 233.750000 MB of memory in use. ENERGY: 4971200 3962.7337 20481.2330 14435.1748 243.7505 -203105.6238 2587.0182 0.0000 0.0000 52173.7021 -109222.0115 299.8430 -161395.7136 -108861.5367 299.8258 -79.8186 -51.4303 761539.7076 3.4951 3.4502 PRESSURE: 4971400 191.07 -125.349 244.446 -125.348 -46.447 64.9943 244.446 64.9941 -392.911 GPRESSURE: 4971400 221.651 -44.0795 241.017 -98.4979 -88.5008 122.115 148.497 -24.1011 -302.147 PRESSAVG: 4971400 32.9061 -19.5911 70.0914 -19.591 17.8457 -16.1251 70.0913 -16.125 -18.3874 GPRESSAVG: 4971400 33.3403 -19.2082 69.7259 -20.7214 16.8017 -16.6025 67.9629 -16.6431 -17.8988 TIMING: 4971400 CPU: 15521, 0.00308834/step Wall: 15521, 0.00308834/step, 0.0245351 hours remaining, 233.750000 MB of memory in use. ENERGY: 4971400 3998.5783 20530.4136 14375.3606 244.5747 -203031.3787 2563.3311 0.0000 0.0000 52117.6815 -109201.4388 299.5210 -161319.1204 -108839.1882 299.5964 -82.7628 -56.3323 761997.3663 10.7881 10.7477 PRESSURE: 4971600 -116.603 47.0707 209.834 47.0703 46.1305 12.3342 209.835 12.3345 57.4269 GPRESSURE: 4971600 -102.349 -0.744592 144.141 18.689 89.0096 27.0444 144.012 11.2113 81.1189 PRESSAVG: 4971600 -27.4302 17.4409 42.9741 17.4409 -14.1215 24.1553 42.9741 24.1553 30.7156 GPRESSAVG: 4971600 -27.5698 17.208 42.8113 17.6908 -13.7966 23.557 44.7845 25.7861 30.7518 TIMING: 4971600 CPU: 15521.6, 0.00309859/step Wall: 15521.6, 0.00309859/step, 0.0244444 hours remaining, 233.750000 MB of memory in use. ENERGY: 4971600 4015.8575 20377.4042 14422.3108 233.1648 -203095.3227 2474.4098 0.0000 0.0000 52250.3834 -109321.7922 300.2837 -161572.1756 -108955.5908 299.2582 -4.3485 22.5933 761575.8424 -3.6120 -3.5382 PRESSURE: 4971800 -93.686 175.413 270.261 175.413 -192.469 -46.6079 270.26 -46.6073 54.2291 GPRESSURE: 4971800 -67.7251 151.146 226.398 30.8975 -65.0385 -10.1584 227.374 -95.9656 -4.90206 PRESSAVG: 4971800 -45.9574 6.14268 16.9302 6.14266 67.3721 -38.3038 16.9302 -38.3038 -11.7758 GPRESSAVG: 4971800 -45.6029 5.40485 17.6045 5.4536 68.0524 -39.5064 16.3609 -37.3786 -12.8073 TIMING: 4971800 CPU: 15522.2, 0.00310916/step Wall: 15522.2, 0.00310916/step, 0.0243551 hours remaining, 233.750000 MB of memory in use. ENERGY: 4971800 3958.5398 20463.5859 14372.2382 256.1201 -202998.4124 2518.9282 0.0000 0.0000 52167.4436 -109261.5566 299.8070 -161429.0002 -108885.5492 299.3681 -77.3086 -45.8886 762264.1489 3.2130 3.2141 PRESSURE: 4972000 -160.007 -68.861 41.7986 -68.861 -52.5942 68.6253 41.7975 68.625 63.9672 GPRESSURE: 4972000 -118.306 54.9531 122.14 80.5847 -4.47736 -19.5957 53.6192 -43.7318 67.1713 PRESSAVG: 4972000 -14.1366 29.1715 17.52 29.1716 -22.4762 -14.7894 17.52 -14.7895 -5.41992 GPRESSAVG: 4972000 -14.2128 29.6931 17.4422 29.7074 -23.2807 -14.4843 18.4974 -17.0795 -4.23332 TIMING: 4972000 CPU: 15522.8, 0.00308693/step Wall: 15522.8, 0.00308693/step, 0.0240095 hours remaining, 233.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4972000 3965.6394 20412.0597 14429.9835 233.4664 -202631.0567 2411.3235 0.0000 0.0000 51960.8345 -109217.7498 298.6196 -161178.5842 -108845.7353 299.0966 -49.5445 -18.5374 761828.5917 -14.0109 -13.9090 PRESSURE: 4972200 -6.03944 25.5075 38.5164 25.5064 -326.113 21.204 38.5169 21.2039 135.82 GPRESSURE: 4972200 21.1112 -76.6514 33.252 64.6067 -139.424 -4.5105 61.294 113.173 16.5619 PRESSAVG: 4972200 20.2977 -2.43131 25.9118 -2.43134 1.16263 -6.76923 25.9118 -6.76918 -6.09431 GPRESSAVG: 4972200 21.3541 -4.78264 22.9246 -1.32713 0.722499 -6.81303 27.5142 -6.97949 -7.18384 TIMING: 4972200 CPU: 15523.4, 0.00309504/step Wall: 15523.4, 0.00309503/step, 0.0239005 hours remaining, 233.750000 MB of memory in use. ENERGY: 4972200 3877.4790 20594.4450 14414.4307 255.3122 -202607.5932 2306.0950 0.0000 0.0000 52007.0405 -109152.7908 298.8852 -161159.8312 -108789.7343 299.7110 -65.4442 -33.9169 762119.3633 5.1220 4.9642 LDB: ============= START OF LOAD BALANCING ============== 15535.9 LDB: ============== END OF LOAD BALANCING =============== 15535.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15535.9 LDB: ============= START OF LOAD BALANCING ============== 15536.2 LDB: Largest compute 7031 load 0.032310 is 16.5% of average load 0.195455 LDB: Average compute 0.004374 is 2.2% of average load 0.195455 LDB: TIME 15536.2 LOAD: AVG 0.195455 MAX 0.217475 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.059 MB LDB: TIME 15536.2 LOAD: AVG 0.195455 MAX 0.217475 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.059 MB LDB: TIME 15536.2 LOAD: AVG 0.195455 MAX 0.217475 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.059 MB LDB: ============== END OF LOAD BALANCING =============== 15536.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15536.2 PRESSURE: 4972400 -63.624 123.925 135.454 123.925 -15.5464 18.7331 135.454 18.7335 -309.029 GPRESSURE: 4972400 -101.221 45.6743 95.4336 111.867 30.5215 -17.6874 214.257 16.7032 -219.813 PRESSAVG: 4972400 -37.5679 43.4874 -30.7029 43.4874 1.12684 -0.373666 -30.7029 -0.373559 9.49957 GPRESSAVG: 4972400 -39.1123 43.8505 -28.7771 45.5869 1.79055 0.821394 -32.0176 -0.0215141 10.5908 TIMING: 4972400 CPU: 15524.1, 0.00318032/step Wall: 15524.1, 0.00318032/step, 0.0243825 hours remaining, 234.117188 MB of memory in use. ENERGY: 4972400 4038.2226 20563.2339 14441.2598 267.3549 -202926.0350 2598.3632 0.0000 0.0000 51996.3589 -109021.2417 298.8238 -161017.6006 -108662.6915 299.7178 -129.3999 -96.8376 761920.7775 -8.9805 -8.9103 PRESSURE: 4972600 -314.886 -229.377 111.127 -229.376 -194.387 3.99485 111.127 3.99652 -388.395 GPRESSURE: 4972600 -289.77 -116.634 139.276 -185.612 -261.695 79.9047 132.448 -51.6416 -283.349 PRESSAVG: 4972600 8.2091 39.3123 -2.95204 39.3123 50.669 1.21791 -2.95206 1.21786 -4.06887 GPRESSAVG: 4972600 8.61779 40.1153 -3.83723 37.5328 49.9811 0.484873 -1.33145 1.75415 -3.64295 TIMING: 4972600 CPU: 15524.7, 0.00309249/step Wall: 15524.7, 0.00309249/step, 0.0235373 hours remaining, 234.117188 MB of memory in use. ENERGY: 4972600 4006.4031 20502.6399 14348.0696 259.5298 -202836.9112 2474.3910 0.0000 0.0000 52212.5667 -109033.3110 300.0663 -161245.8777 -108669.9734 299.6009 -299.2225 -278.2711 763217.9209 18.2697 18.3186 PRESSURE: 4972800 -452.036 96.4456 24.439 96.4467 -102.446 49.9953 24.4398 49.9972 -212.899 GPRESSURE: 4972800 -375.797 115.82 11.7549 142.919 -113.899 20.8866 28.4809 45.527 -221.223 PRESSAVG: 4972800 -50.9444 10.0678 18.9042 10.0678 -7.64866 15.1304 18.9042 15.1303 12.8621 GPRESSAVG: 4972800 -50.1194 11.4197 19.4897 9.1482 -7.42046 15.8182 16.3692 15.4812 11.8095 TIMING: 4972800 CPU: 15525.3, 0.00311632/step Wall: 15525.3, 0.00311632/step, 0.0235455 hours remaining, 234.117188 MB of memory in use. ENERGY: 4972800 4068.5461 20661.8160 14433.9633 223.4374 -202956.7346 2436.7958 0.0000 0.0000 52039.3431 -109092.8329 299.0708 -161132.1760 -108722.7709 299.3605 -255.7933 -236.9731 763694.5674 -15.2437 -15.2434 PRESSURE: 4973000 95.5614 -98.7568 33.7366 -98.7569 -3.26351 -86.4888 33.7365 -86.4881 -148.376 GPRESSURE: 4973000 100.593 -130.979 41.6682 -154.088 32.9604 -100.809 -186.431 92.1271 -125.804 PRESSAVG: 4973000 8.32359 20.6705 -8.80835 20.6705 5.63734 -8.47933 -8.80832 -8.47927 11.9527 GPRESSAVG: 4973000 8.68431 19.1124 -9.54137 21.6484 5.31521 -8.76205 -9.23843 -8.05846 11.9217 TIMING: 4973000 CPU: 15525.9, 0.00311091/step Wall: 15525.9, 0.00311091/step, 0.0233319 hours remaining, 234.117188 MB of memory in use. ENERGY: 4973000 4025.2091 20366.0762 14451.9240 242.3017 -202963.9111 2715.9390 0.0000 0.0000 52093.4293 -109069.0319 299.3817 -161162.4611 -108715.6188 299.2005 -18.6926 2.5831 762422.3463 8.6379 8.6404 PRESSURE: 4973200 -204.521 -74.7736 -253.794 -74.7735 27.7321 -35.8362 -253.795 -35.836 -29.1883 GPRESSURE: 4973200 -110.916 -37.5216 -164.365 -89.3968 96.1569 -10.7371 -269.17 -49.2721 -106.64 PRESSAVG: 4973200 -19.2667 2.28351 18.609 2.28352 29.6012 72.7819 18.609 72.7819 -35.4869 GPRESSAVG: 4973200 -18.6234 3.17334 19.543 0.835895 29.7403 72.7733 20.008 71.4595 -35.9819 TIMING: 4973200 CPU: 15526.6, 0.00311211/step Wall: 15526.6, 0.00311211/step, 0.0231679 hours remaining, 234.117188 MB of memory in use. ENERGY: 4973200 3944.7086 20456.9181 14405.4544 252.4720 -202656.7579 2371.1732 0.0000 0.0000 52176.1091 -109049.9225 299.8568 -161226.0316 -108683.8584 299.8127 -68.6590 -40.4664 761302.8632 -8.3841 -8.2883 PRESSURE: 4973400 102.76 65.829 -35.1081 65.8282 -9.57041 130.673 -35.1081 130.673 -426.961 GPRESSURE: 4973400 9.2362 -23.0627 -15.4626 106.954 121.106 -7.37072 -28.9554 154.248 -376.785 PRESSAVG: 4973400 -16.9009 -11.6804 -56.6283 -11.6804 1.03253 13.7969 -56.6283 13.797 -20.3853 GPRESSAVG: 4973400 -17.9212 -10.8984 -57.2765 -9.67408 1.76803 14.4033 -56.0216 14.471 -20.1242 TIMING: 4973400 CPU: 15527.2, 0.00309419/step Wall: 15527.2, 0.00309419/step, 0.0228627 hours remaining, 234.117188 MB of memory in use. ENERGY: 4973400 3932.8352 20550.2861 14438.3590 253.5426 -203195.5463 2470.9785 0.0000 0.0000 52430.1872 -109119.3578 301.3170 -161549.5449 -108764.6231 300.2927 -111.2571 -82.1477 760948.3784 -12.0846 -12.0925 PRESSURE: 4973600 -2.41723 6.42182 -176.881 6.42163 -363.525 181.192 -176.881 181.191 361.192 GPRESSURE: 4973600 24.5199 19.3082 -200.671 -71.0308 -375.528 144.548 -148.511 211.347 426.452 PRESSAVG: 4973600 -2.7703 -15.0851 -23.0829 -15.0852 30.0694 -3.33633 -23.0829 -3.33632 -17.2215 GPRESSAVG: 4973600 -2.63723 -15.9186 -24.1032 -16.6745 29.1476 -4.8292 -20.6663 -1.99849 -16.8438 TIMING: 4973600 CPU: 15527.8, 0.00308555/step Wall: 15527.8, 0.00308555/step, 0.0226274 hours remaining, 234.117188 MB of memory in use. ENERGY: 4973600 3961.4106 20579.3409 14467.3963 254.7467 -202929.3583 2438.2939 0.0000 0.0000 52183.6458 -109044.5240 299.9001 -161228.1698 -108692.9083 300.0423 -1.5837 25.1481 761368.5866 3.3592 3.2222 PRESSURE: 4973800 -86.847 -50.7652 148.653 -50.7655 179.724 -123.75 148.654 -123.75 120.345 GPRESSURE: 4973800 7.6018 52.2057 220.049 -67.5749 188.416 -7.61315 90.7396 17.2091 95.55 PRESSAVG: 4973800 -58.3573 42.6823 7.65173 42.6823 25.0563 97.9959 7.65161 97.996 -6.54445 GPRESSAVG: 4973800 -58.6117 42.5581 8.85574 41.9409 25.3604 100.142 6.06544 97.7569 -6.40648 TIMING: 4973800 CPU: 15528.4, 0.00308587/step Wall: 15528.4, 0.00308587/step, 0.0224583 hours remaining, 234.320312 MB of memory in use. ENERGY: 4973800 3882.8516 20649.3013 14464.6632 225.3664 -203465.8538 2856.4561 0.0000 0.0000 52348.1984 -109039.0167 300.8458 -161387.2151 -108675.2730 300.2088 71.0741 97.1893 761444.6301 -13.2818 -13.2193 PRESSURE: 4974000 279.375 154.883 -83.1034 154.884 284.425 194.193 -83.1041 194.194 670.481 GPRESSURE: 4974000 301.101 96.7114 -111.939 135.388 353.431 201.048 -129.781 198.287 645.932 PRESSAVG: 4974000 -25.174 13.0939 54.5423 13.0939 34.9551 42.9191 54.5423 42.9192 1.48567 GPRESSAVG: 4974000 -24.2857 13.3352 53.4406 16.4196 35.1509 41.5084 54.9571 42.5813 0.285421 TIMING: 4974000 CPU: 15529, 0.00308754/step Wall: 15529, 0.00308754/step, 0.0222989 hours remaining, 234.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4974000 3891.3167 20493.1997 14464.0078 255.4737 -203512.5922 3043.4539 0.0000 0.0000 52267.5498 -109097.5907 300.3823 -161365.1405 -108721.4482 299.6527 411.4269 433.4876 760423.3311 3.7556 3.7169 PRESSURE: 4974200 -306.596 -78.7453 215.098 -78.7444 40.7951 -151.987 215.097 -151.988 -59.0698 GPRESSURE: 4974200 -182.156 -60.2514 215.405 -177.284 -5.72576 -124.277 248.689 -173.847 -54.9345 PRESSAVG: 4974200 -12.7215 -2.00919 -19.9271 -2.00914 11.0508 -30.5612 -19.9271 -30.5611 4.59746 GPRESSAVG: 4974200 -13.795 -1.60285 -17.085 -3.11086 11.6655 -30.6621 -21.4013 -30.94 5.32244 TIMING: 4974200 CPU: 15529.7, 0.00308768/step Wall: 15529.7, 0.00308768/step, 0.0221284 hours remaining, 234.320312 MB of memory in use. ENERGY: 4974200 3967.4330 20535.7915 14452.8551 259.7436 -202851.0334 2506.1623 0.0000 0.0000 52068.1378 -109060.9100 299.2363 -161129.0478 -108697.2987 299.9571 -108.2903 -80.9388 761735.8442 0.9756 1.0643 PRESSURE: 4974400 -598.441 -120.832 130.765 -120.831 289.51 -183.808 130.764 -183.81 98.5319 GPRESSURE: 4974400 -524.639 -55.7005 34.594 -120.102 239.664 -79.7695 147.47 -268.733 165.047 PRESSAVG: 4974400 -69.1656 -18.8627 -11.1405 -18.8627 70.504 -6.47998 -11.1405 -6.48001 -30.5219 GPRESSAVG: 4974400 -69.012 -20.4356 -13.1728 -18.3706 70.0154 -6.458 -10.9297 -5.75084 -30.6435 TIMING: 4974400 CPU: 15530.3, 0.00308506/step Wall: 15530.3, 0.00308506/step, 0.0219382 hours remaining, 234.320312 MB of memory in use. ENERGY: 4974400 3994.7104 20600.9804 14443.7706 231.4694 -202744.7945 2445.7956 0.0000 0.0000 52071.4172 -108956.6510 299.2552 -161028.0683 -108591.5647 299.4111 -70.1333 -39.9759 763187.2595 -9.7278 -9.8800 PRESSURE: 4974600 -326.275 106.426 -217.063 106.425 -260.359 -253.281 -217.063 -253.281 -168.57 GPRESSURE: 4974600 -335.228 7.95227 -198.112 151.006 -155.297 -167.351 -92.5575 -124.515 -158.979 PRESSAVG: 4974600 -62.8272 -9.34247 -10.657 -9.34252 71.1885 -60.4619 -10.6569 -60.4618 -1.81353 GPRESSAVG: 4974600 -61.8362 -6.33628 -9.96822 -10.8635 70.6554 -60.0908 -8.37795 -58.1883 -2.20261 TIMING: 4974600 CPU: 15530.9, 0.00307732/step Wall: 15530.9, 0.00307732/step, 0.0217122 hours remaining, 234.320312 MB of memory in use. ENERGY: 4974600 4059.9996 20677.2067 14466.1267 250.4948 -202693.2029 2469.5276 0.0000 0.0000 52097.4902 -108672.3572 299.4050 -160769.8474 -108307.0354 299.8657 -251.7347 -216.5012 763719.8755 2.1826 2.2056 PRESSURE: 4974800 -252.955 -193.11 224.922 -193.109 9.96772 -3.10673 224.922 -3.10693 -337.145 GPRESSURE: 4974800 -199.836 -170.199 203.422 -173.129 -12.5408 -74.6676 244.705 -79.0269 -289.411 PRESSAVG: 4974800 -118.6 -24.4321 11.4391 -24.4321 97.7858 -48.0267 11.439 -48.0267 -15.6214 GPRESSAVG: 4974800 -119.413 -26.7902 12.5789 -24.2073 96.9719 -47.7428 8.3949 -48.0182 -14.7122 TIMING: 4974800 CPU: 15531.5, 0.00308686/step Wall: 15531.5, 0.00308686/step, 0.021608 hours remaining, 234.320312 MB of memory in use. ENERGY: 4974800 3923.2943 20586.5363 14398.5791 237.0455 -202976.7877 2630.3864 0.0000 0.0000 52512.8258 -108688.1204 301.7919 -161200.9462 -108309.1607 300.4378 -193.3774 -167.2625 764142.1043 -12.1452 -12.3844 PRESSURE: 4975000 -69.2918 -201.563 13.2299 -201.562 50.3068 -280.82 13.2292 -280.82 -70.3213 GPRESSURE: 4975000 26.0936 -76.1756 37.7592 -141.701 -63.1383 -173.913 -30.5904 -261.196 38.1207 PRESSAVG: 4975000 -18.1409 45.9288 -16.3072 45.9288 35.2028 -31.695 -16.3072 -31.695 28.4802 GPRESSAVG: 4975000 -18.2045 43.8344 -18.3098 46.5065 35.4554 -31.8536 -14.5666 -31.8923 28.3755 TIMING: 4975000 CPU: 15532.1, 0.00310467/step Wall: 15532.1, 0.00310467/step, 0.0215602 hours remaining, 234.320312 MB of memory in use. ENERGY: 4975000 4086.9613 20502.8585 14361.0861 240.9320 -202634.3125 2548.3308 0.0000 0.0000 52177.3230 -108716.8206 299.8638 -160894.1437 -108346.1393 300.5223 -29.7687 0.3587 763321.2425 15.1807 15.2088 PRESSURE: 4975200 328.43 -6.0759 -124.733 -6.07609 -283.996 -145.842 -124.733 -145.841 -86.6135 GPRESSURE: 4975200 269.908 96.9007 -105.808 98.1778 -141.328 -156.355 -91.9828 -224.121 -92.343 PRESSAVG: 4975200 38.4073 -3.14136 8.14836 -3.14137 12.4776 -66.4802 8.14834 -66.4802 15.6758 GPRESSAVG: 4975200 37.977 -1.01298 8.87409 -2.02795 11.6968 -65.5074 7.7862 -67.5394 15.9629 TIMING: 4975200 CPU: 15532.7, 0.00309198/step Wall: 15532.7, 0.00309197/step, 0.0213003 hours remaining, 234.320312 MB of memory in use. ENERGY: 4975200 4010.8032 20607.2191 14404.1365 230.3616 -202864.8014 2581.1967 0.0000 0.0000 52191.0112 -108840.0731 299.9425 -161031.0843 -108471.5206 300.5082 -14.0598 12.0791 762846.8686 22.1869 21.8789 PRESSURE: 4975400 -276.758 -116.801 -20.6239 -116.8 -197.492 42.066 -20.6235 42.0669 -13.6255 GPRESSURE: 4975400 -175.76 -109.941 -157.163 -105.358 -179.884 71.8082 151.454 80.6379 -46.6891 PRESSAVG: 4975400 30.4956 -7.9431 5.76532 -7.94305 13.0108 -31.7844 5.76527 -31.7844 -23.1853 GPRESSAVG: 4975400 31.8317 -8.28953 5.81374 -6.65199 14.1608 -32.6022 7.18703 -30.703 -24.8998 TIMING: 4975400 CPU: 15533.4, 0.00308702/step Wall: 15533.4, 0.00308702/step, 0.0210947 hours remaining, 234.320312 MB of memory in use. ENERGY: 4975400 4019.2028 20647.9573 14373.0321 249.0900 -203140.3732 2660.6011 0.0000 0.0000 52286.4666 -108904.0232 300.4910 -161190.4898 -108529.0615 300.4868 -162.6251 -134.1110 761679.8510 6.7737 7.0309 PRESSURE: 4975600 40.467 -134.027 -107.721 -134.027 150.459 65.6387 -107.721 65.638 -285.777 GPRESSURE: 4975600 67.7326 -163.88 -63.2163 -81.0778 143.584 133.337 -115.979 21.7095 -240.012 PRESSAVG: 4975600 1.39387 -37.8638 22.7048 -37.8638 -11.0935 -26.748 22.7048 -26.7479 -19.5934 GPRESSAVG: 4975600 1.26401 -36.1755 22.7727 -39.0067 -11.518 -27.6296 22.2492 -27.7576 -18.6383 TIMING: 4975600 CPU: 15534, 0.0031136/step Wall: 15534, 0.0031136/step, 0.0211033 hours remaining, 234.320312 MB of memory in use. ENERGY: 4975600 4049.5038 20611.9855 14397.4125 255.0170 -203689.4655 3144.0475 0.0000 0.0000 52427.5092 -108803.9901 301.3016 -161231.4993 -108445.1277 300.8672 -31.6171 -9.5652 760531.7553 -9.7643 -9.6308 PRESSURE: 4975800 133.225 69.9609 -25.4725 69.9605 54.0454 44.7298 -25.4726 44.7304 303.015 GPRESSURE: 4975800 174.223 25.7254 -4.17595 14.285 21.4777 77.5964 131.541 -84.1779 366.867 PRESSAVG: 4975800 5.1738 19.7085 28.8979 19.7085 28.4515 -60.8459 28.8979 -60.8458 7.62118 GPRESSAVG: 4975800 4.15855 19.3711 28.4622 17.5139 28.3263 -61.1718 28.883 -61.1174 8.68561 TIMING: 4975800 CPU: 15534.6, 0.00309449/step Wall: 15534.6, 0.00309449/step, 0.0208018 hours remaining, 234.320312 MB of memory in use. ENERGY: 4975800 4020.0682 20786.9509 14385.8048 257.4893 -203143.9025 2930.6485 0.0000 0.0000 52125.9408 -108637.0000 299.5685 -160762.9408 -108272.3173 300.4091 163.4282 187.5225 762949.3884 13.7488 13.7235 PRESSURE: 4976000 46.6937 -120.082 -0.102666 -120.082 -303.496 -219.748 -0.103904 -219.749 116.494 GPRESSURE: 4976000 111.006 -79.6612 48.8064 -105.982 -254.554 -317.268 -133.176 -92.136 80.488 PRESSAVG: 4976000 23.1149 -17.1118 -33.5528 -17.1118 -54.6779 -12.946 -33.5528 -12.946 2.69398 GPRESSAVG: 4976000 24.4165 -18.9129 -32.6472 -15.6053 -55.7983 -13.1694 -33.972 -11.346 1.91948 TIMING: 4976000 CPU: 15535.2, 0.00308326/step Wall: 15535.2, 0.00308326/step, 0.0205551 hours remaining, 234.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4976000 3988.9885 20562.2520 14355.8446 245.3900 -203096.3805 2868.9363 0.0000 0.0000 52363.6284 -108711.3409 300.9345 -161074.9692 -108337.0578 300.4839 -46.7695 -21.0199 762529.1884 -9.6230 -9.8208 PRESSURE: 4976200 78.7434 105.437 -231.366 105.437 -139.19 -31.0573 -231.366 -31.0569 0.834755 GPRESSURE: 4976200 119.61 36.6628 -146.578 97.0824 -29.2904 30.6691 -220.414 -119.226 -57.6749 PRESSAVG: 4976200 -15.2112 26.5713 21.1615 26.5713 -35.468 -38.6392 21.1614 -38.6392 -4.2481 GPRESSAVG: 4976200 -16.4673 25.8504 21.3913 25.9986 -34.6285 -37.1972 21.2415 -39.13 -4.17732 TIMING: 4976200 CPU: 15535.8, 0.00308613/step Wall: 15535.8, 0.00308613/step, 0.0204028 hours remaining, 234.320312 MB of memory in use. ENERGY: 4976200 4013.5372 20580.6588 14483.9947 244.5947 -203500.8479 2760.4804 0.0000 0.0000 52302.0110 -109115.5711 300.5804 -161417.5821 -108742.8425 300.2134 -19.8705 10.8817 761932.0544 -18.3091 -18.4244 LDB: ============= START OF LOAD BALANCING ============== 15548.3 LDB: ============== END OF LOAD BALANCING =============== 15548.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15548.3 LDB: ============= START OF LOAD BALANCING ============== 15548.6 LDB: Largest compute 7057 load 0.030777 is 15.8% of average load 0.195356 LDB: Average compute 0.004399 is 2.3% of average load 0.195356 LDB: TIME 15548.6 LOAD: AVG 0.195356 MAX 0.214296 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.273 MB LDB: TIME 15548.6 LOAD: AVG 0.195356 MAX 0.214296 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.273 MB LDB: TIME 15548.6 LOAD: AVG 0.195356 MAX 0.214296 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.273 MB LDB: ============== END OF LOAD BALANCING =============== 15548.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15548.6 PRESSURE: 4976400 31.3472 44.0153 -108.085 44.015 132.866 235.226 -108.086 235.226 317.031 GPRESSURE: 4976400 136.006 56.939 -76.6201 47.4613 133.49 245.994 -208.662 235.944 280.566 PRESSAVG: 4976400 -4.92702 3.42035 -30.4006 3.42031 29.3793 14.1516 -30.4006 14.1516 -6.83524 GPRESSAVG: 4976400 -4.64369 6.37949 -30.3599 2.23206 29.1124 13.6584 -31.5323 13.3516 -7.55153 TIMING: 4976400 CPU: 15536.5, 0.00315593/step Wall: 15536.5, 0.00315593/step, 0.0206889 hours remaining, 235.800781 MB of memory in use. ENERGY: 4976400 4039.5811 20651.7225 14384.9948 247.7223 -203777.2165 3042.9289 0.0000 0.0000 52239.1311 -109171.1358 300.2190 -161410.2669 -108810.0363 299.8283 160.4146 183.3540 760965.5828 5.8724 5.6391 PRESSURE: 4976600 -258.323 136.922 -94.6316 136.921 -445.18 19.8792 -94.6307 19.8796 -233.999 GPRESSURE: 4976600 -176.641 35.6551 -127.275 167.764 -429.542 -2.16069 -38.5955 73.6215 -248.296 PRESSAVG: 4976600 -18.5549 -8.8696 -22.3724 -8.86963 -0.0755603 -22.0702 -22.3724 -22.07 4.80606 GPRESSAVG: 4976600 -18.8519 -10.406 -23.1649 -7.23384 0.451931 -22.5699 -22.5717 -22.6691 4.87339 TIMING: 4976600 CPU: 15537.1, 0.00308998/step Wall: 15537.1, 0.00308998/step, 0.0200848 hours remaining, 236.128906 MB of memory in use. ENERGY: 4976600 4067.5399 20492.5968 14432.1796 232.8848 -203040.7484 2428.0996 0.0000 0.0000 52188.6927 -109198.7549 299.9291 -161387.4477 -108827.8461 300.0700 -312.5004 -284.8262 762043.8297 -4.6081 -4.5089 PRESSURE: 4976800 -574.373 -62.5823 18.6894 -62.5818 -56.901 91.5208 18.6894 91.52 -46.7199 GPRESSURE: 4976800 -505.131 -43.196 37.5208 35.493 -69.888 61.6315 35.5013 125.399 -36.9831 PRESSAVG: 4976800 -12.9659 10.2537 0.778828 10.2538 -5.59652 29.3024 0.778807 29.3024 -7.58484 GPRESSAVG: 4976800 -12.3787 9.92319 1.48702 10.9205 -6.13547 28.449 2.72224 28.7126 -7.34768 TIMING: 4976800 CPU: 15537.7, 0.00309492/step Wall: 15537.7, 0.00309492/step, 0.0199451 hours remaining, 236.128906 MB of memory in use. ENERGY: 4976800 3982.5305 20750.6769 14465.7081 277.4656 -203253.8295 2643.4740 0.0000 0.0000 51984.4085 -109149.5660 298.7551 -161133.9744 -108797.8984 299.6276 -225.9979 -204.0007 762510.4119 -8.7157 -8.6206 PRESSURE: 4977000 166.041 -12.2342 -69.6685 -12.234 -168.213 120.96 -69.6683 120.96 95.9737 GPRESSURE: 4977000 93.4881 -2.97848 -47.3298 -111.962 -72.6072 113.038 60.0899 -0.664438 149.692 PRESSAVG: 4977000 26.2693 26.1177 29.6201 26.1177 -19.4887 -9.55925 29.6201 -9.55919 15.2834 GPRESSAVG: 4977000 25.8945 26.2774 28.7525 25.0705 -18.8716 -8.07265 28.6594 -8.60034 15.4474 TIMING: 4977000 CPU: 15538.3, 0.00307752/step Wall: 15538.3, 0.00307752/step, 0.0196619 hours remaining, 236.128906 MB of memory in use. ENERGY: 4977000 4035.7893 20570.3876 14463.1081 244.6915 -203131.0230 2730.2755 0.0000 0.0000 52106.1448 -108980.6262 299.4547 -161086.7710 -108622.2679 299.3164 31.2673 56.8577 763234.1110 7.3546 7.4901 PRESSURE: 4977200 -244.793 304.132 14.7502 304.132 -220.504 54.8582 14.7496 54.8606 -335.663 GPRESSURE: 4977200 -145.756 271.337 78.4738 264.91 -191.987 89.8689 -164.56 103.376 -382.527 PRESSAVG: 4977200 -43.6639 18.9741 -28.0807 18.9741 7.92293 43.933 -28.0807 43.9331 36.3617 GPRESSAVG: 4977200 -43.6438 18.6089 -27.5736 17.8252 7.91492 42.8869 -28.5562 43.047 36.0216 TIMING: 4977200 CPU: 15538.9, 0.00307191/step Wall: 15538.9, 0.00307191/step, 0.0194554 hours remaining, 236.128906 MB of memory in use. ENERGY: 4977200 4024.0454 20712.1719 14437.7290 256.5043 -203101.7927 2712.7423 0.0000 0.0000 52016.0341 -108942.5656 298.9369 -160958.5997 -108589.9768 300.2483 -266.9866 -240.0900 764148.7753 0.2069 0.0976 PRESSURE: 4977400 49.4624 -193.758 -186.985 -193.758 92.768 -60.8636 -186.984 -60.8626 130.639 GPRESSURE: 4977400 90.1046 -212.608 -251.886 -162.273 118.682 -59.7863 -142.697 126.455 138.02 PRESSAVG: 4977400 66.0411 16.3382 -14.1548 16.3382 -68.3347 35.8485 -14.1548 35.8484 -0.022561 GPRESSAVG: 4977400 67.1868 16.7869 -13.497 16.5068 -70.1413 36.0334 -15.2501 36.171 0.372746 TIMING: 4977400 CPU: 15539.6, 0.00308318/step Wall: 15539.6, 0.00308318/step, 0.0193555 hours remaining, 236.164062 MB of memory in use. ENERGY: 4977400 3996.3899 20799.4208 14442.7793 259.0921 -203046.8121 2553.2525 0.0000 0.0000 52164.4058 -108831.4717 299.7896 -160995.8776 -108475.9037 300.1332 90.9565 115.6022 763351.7677 -0.7721 -0.8606 PRESSURE: 4977600 68.263 -10.2473 -47.4545 -10.2476 42.5098 -91.8852 -47.4538 -91.8852 231.195 GPRESSURE: 4977600 177.361 56.5468 -70.0791 -75.8841 49.325 -58.8833 -18.3093 -6.74629 194.406 PRESSAVG: 4977600 64.5304 -39.6588 26.8974 -39.6587 -58.4668 10.844 26.8974 10.844 5.50599 GPRESSAVG: 4977600 63.4496 -38.5768 25.9607 -39.0868 -57.5623 11.4769 28.4528 13.0112 4.91917 TIMING: 4977600 CPU: 15540.2, 0.00310576/step Wall: 15540.2, 0.00310576/step, 0.0193247 hours remaining, 236.164062 MB of memory in use. ENERGY: 4977600 4011.7768 20523.2808 14417.4669 245.8846 -203420.8308 2802.9158 0.0000 0.0000 52452.1097 -108967.3962 301.4430 -161419.5058 -108602.7616 300.1569 113.9893 140.3640 763975.5967 3.8565 3.6022 PRESSURE: 4977800 107.108 -220.896 193.435 -220.894 218.432 26.0907 193.435 26.0912 27.0069 GPRESSURE: 4977800 132.876 -139.433 215.121 -288.115 240.391 -21.7136 78.9655 -34.9542 68.9306 PRESSAVG: 4977800 54.299 7.31024 37.4676 7.31029 -36.6318 4.11202 37.4677 4.1121 -14.6022 GPRESSAVG: 4977800 53.296 5.62928 36.4467 8.30284 -35.794 4.75661 36.093 1.07551 -14.1632 TIMING: 4977800 CPU: 15540.8, 0.00309205/step Wall: 15540.8, 0.00309205/step, 0.0190676 hours remaining, 236.164062 MB of memory in use. ENERGY: 4977800 3922.4845 20648.7924 14421.5272 243.3877 -203119.9999 2807.3249 0.0000 0.0000 52074.4704 -109002.0128 299.2727 -161076.4832 -108635.2842 300.0176 117.5157 147.3994 761464.7520 1.0217 1.1129 PRESSURE: 4978000 -123.425 2.11818 -5.59531 2.11932 -263.18 -26.3927 -5.59405 -26.3927 -50.6772 GPRESSURE: 4978000 -133.349 -94.5477 82.5686 111.594 -160.423 -11.2036 -1.65278 35.0289 -56.6576 PRESSAVG: 4978000 21.3927 -17.1652 -13.4632 -17.1651 -3.78346 -48.1367 -13.4631 -48.1368 -2.43333 GPRESSAVG: 4978000 21.6454 -15.7693 -10.9593 -18.9095 -3.73787 -49.6293 -14.2877 -45.8464 -2.84534 TIMING: 4978000 CPU: 15541.4, 0.00309385/step Wall: 15541.4, 0.00309385/step, 0.0189069 hours remaining, 236.164062 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: 4978000 3986.9186 20413.8844 14431.2060 237.7043 -202598.6181 2386.4105 0.0000 0.0000 51898.0847 -109244.4095 298.2590 -161142.4942 -108874.5006 299.6060 -145.7606 -116.8101 762684.9450 5.0586 5.0207 PRESSURE: 4978200 274.062 20.8424 -123.437 20.8424 251.077 121.096 -123.439 121.097 426.767 GPRESSURE: 4978200 408.365 -48.7986 -103.564 -79.9726 213.468 114.118 -146.834 111.216 417.553 PRESSAVG: 4978200 59.8653 -16.9564 27.1861 -16.9564 -26.5791 -15.5091 27.186 -15.5092 7.3332 GPRESSAVG: 4978200 60.4202 -17.3444 27.177 -15.6252 -26.5737 -14.9128 27.5764 -17.7051 6.85191 TIMING: 4978200 CPU: 15542, 0.00310154/step Wall: 15542, 0.00310154/step, 0.0187816 hours remaining, 236.164062 MB of memory in use. ENERGY: 4978200 3980.6490 20357.3245 14404.1049 243.5277 -203553.8437 3151.2290 0.0000 0.0000 52384.7139 -109032.2947 301.0557 -161417.0086 -108668.0354 299.1405 317.3018 346.4617 761362.5487 13.5398 13.5661 PRESSURE: 4978400 -90.8574 -35.9932 -32.1748 -35.9936 -238.151 -167.939 -32.175 -167.939 54.2655 GPRESSURE: 4978400 -4.17295 -73.4797 62.6033 54.9402 -272.812 -219.868 96.4005 -61.0927 92.815 PRESSAVG: 4978400 -1.34372 -42.4316 17.3223 -42.4316 4.07906 -33.2256 17.3222 -33.2256 2.62918 GPRESSAVG: 4978400 -1.9999 -43.9821 18.1724 -42.0987 3.45 -33.4963 17.291 -32.1437 3.98492 TIMING: 4978400 CPU: 15542.6, 0.00310319/step Wall: 15542.6, 0.00310319/step, 0.0186191 hours remaining, 236.164062 MB of memory in use. ENERGY: 4978400 3965.2883 20499.4441 14433.9723 236.8715 -203014.5558 2473.9031 0.0000 0.0000 52352.8112 -109052.2653 300.8723 -161405.0765 -108681.4764 299.6922 -91.5811 -61.3898 760943.6504 1.7882 1.8117 PRESSURE: 4978600 -39.3953 -195.701 67.2587 -195.7 -152.485 10.2144 67.2584 10.2137 -34.5498 GPRESSURE: 4978600 -80.1186 -232.338 80.3899 -100.379 -35.5221 80.6456 33.6574 -134.327 -33.385 PRESSAVG: 4978600 -3.63139 5.11533 20.2798 5.11532 23.2488 -27.9935 20.2798 -27.9934 -2.69174 GPRESSAVG: 4978600 -2.50323 5.15997 16.9262 3.96358 23.5497 -28.3316 24.0147 -28.0662 -4.14273 TIMING: 4978600 CPU: 15543.3, 0.0030947/step Wall: 15543.3, 0.0030947/step, 0.0183962 hours remaining, 236.164062 MB of memory in use. ENERGY: 4978600 4037.5936 20614.3545 14437.9696 255.0257 -203075.6934 2598.6960 0.0000 0.0000 52065.3791 -109066.6748 299.2204 -161132.0539 -108709.2214 300.0677 -75.4769 -49.6752 762747.6293 5.6419 5.6346 PRESSURE: 4978800 -194.937 30.1052 102.136 30.1048 126.971 -31.2179 102.136 -31.2173 -206.058 GPRESSURE: 4978800 -178.38 10.9582 50.9579 54.7908 185.722 -110.123 115.638 -10.1122 -220.044 PRESSAVG: 4978800 34.895 -0.6184 39.3933 -0.618384 -10.1969 -41.7939 39.3933 -41.7938 16.3175 GPRESSAVG: 4978800 33.0419 0.979178 40.5747 0.0588345 -10.1799 -41.6353 35.8043 -39.7474 18.1944 TIMING: 4978800 CPU: 15543.9, 0.00311145/step Wall: 15543.9, 0.00311145/step, 0.018323 hours remaining, 236.304688 MB of memory in use. ENERGY: 4978800 4034.9142 20538.4918 14410.4701 248.5199 -202859.2540 2341.4098 0.0000 0.0000 52175.2387 -109110.2094 299.8518 -161285.4481 -108747.9591 299.6837 -91.3412 -70.9009 762014.0358 13.6719 13.6854 PRESSURE: 4979000 -141.861 -356.287 67.3975 -356.287 23.0165 -188.151 67.3964 -188.151 -103.369 GPRESSURE: 4979000 -36.8237 -248.24 90.7848 -270.833 -84.5218 -260.566 89.6082 -247.842 -5.44446 PRESSAVG: 4979000 -0.730153 1.84847 25.0086 1.84852 7.30786 -23.3027 25.0086 -23.3027 7.86724 GPRESSAVG: 4979000 1.27958 1.23431 23.6143 2.5239 7.46792 -23.5554 27.089 -26.1198 5.4465 TIMING: 4979000 CPU: 15544.5, 0.00309976/step Wall: 15544.5, 0.00309975/step, 0.0180819 hours remaining, 236.507812 MB of memory in use. ENERGY: 4979000 3925.0000 20570.2977 14385.5445 232.5817 -203076.2667 2659.5375 0.0000 0.0000 52154.7716 -109148.5336 299.7342 -161303.3052 -108781.1102 299.5723 -74.0713 -42.2633 762305.0425 4.8150 4.7313 PRESSURE: 4979200 -247.917 34.6165 -125.244 34.6159 408.282 92.46 -125.243 92.4607 -23.1092 GPRESSURE: 4979200 -89.0286 -30.6646 -155.071 3.17642 392.059 23.3242 -157.675 208.219 -65.9409 PRESSAVG: 4979200 -74.0008 44.1007 -2.3401 44.1007 34.4491 27.2165 -2.34017 27.2166 -4.18809 GPRESSAVG: 4979200 -74.5774 45.6056 -2.31943 43.4708 34.4925 29.0043 -1.19537 26.4884 -3.85495 TIMING: 4979200 CPU: 15545.1, 0.0030981/step Wall: 15545.1, 0.0030981/step, 0.0179001 hours remaining, 236.507812 MB of memory in use. ENERGY: 4979200 4023.7077 20445.1092 14452.6787 256.1061 -203223.3302 2762.0807 0.0000 0.0000 51885.0548 -109398.5930 298.1841 -161283.6478 -109038.8480 299.1913 45.7517 79.0299 761649.2170 -14.5799 -14.6466 PRESSURE: 4979400 138.987 -56.0643 149.334 -56.0646 303.971 -84.5268 149.335 -84.5269 111.282 GPRESSURE: 4979400 176.145 -132.441 109.873 17.3733 240.628 -38.643 -9.25223 -66.1953 188.394 PRESSAVG: 4979400 -64.0494 26.8785 -10.6711 26.8785 90.4344 28.9476 -10.6711 28.9476 -9.51359 GPRESSAVG: 4979400 -64.1931 24.2223 -9.48583 26.5537 89.8533 28.2586 -15.3066 28.4968 -9.09317 TIMING: 4979400 CPU: 15545.7, 0.0030892/step Wall: 15545.7, 0.0030892/step, 0.0176771 hours remaining, 236.507812 MB of memory in use. ENERGY: 4979400 4001.4816 20475.9453 14463.3755 247.2816 -203416.5622 3020.2263 0.0000 0.0000 51953.8097 -109254.4422 298.5793 -161208.2519 -108900.9339 298.8377 184.7467 201.7222 760633.3178 5.6238 5.5223 PRESSURE: 4979600 -86.8683 247.511 129.285 247.512 -29.8722 -123.767 129.285 -123.768 43.0897 GPRESSURE: 4979600 -89.6598 179.876 13.6802 243.333 -27.4296 -159.356 -4.39209 -227.504 126.623 PRESSAVG: 4979600 -12.0606 10.903 -22.6643 10.903 -20.7682 22.8152 -22.6643 22.8153 8.8757 GPRESSAVG: 4979600 -12.0842 14.8692 -22.3738 8.99101 -20.3699 19.3138 -22.9329 25.6141 9.01606 TIMING: 4979600 CPU: 15546.4, 0.00309648/step Wall: 15546.4, 0.00309648/step, 0.0175467 hours remaining, 236.507812 MB of memory in use. ENERGY: 4979600 3918.5442 20582.4362 14361.2783 237.2035 -203072.3406 2693.1108 0.0000 0.0000 51953.6576 -109326.1099 298.5784 -161279.7676 -108961.0106 298.8372 -24.5503 3.1778 761408.9403 -7.9844 -7.8127 PRESSURE: 4979800 -130.175 -144.525 -72.4786 -144.526 -313.16 29.0146 -72.4784 29.0152 -106.407 GPRESSURE: 4979800 -172.464 -69.8239 -58.1687 -250.793 -188.64 24.2199 -66.9846 132.055 -120.217 PRESSAVG: 4979800 54.3031 -8.16476 -22.5805 -8.16479 -35.0737 2.31539 -22.5806 2.31537 -17.6034 GPRESSAVG: 4979800 53.7827 -10.7429 -22.9161 -6.57804 -34.3515 2.82406 -20.4758 2.10639 -17.5183 TIMING: 4979800 CPU: 15547, 0.00310882/step Wall: 15547, 0.00310882/step, 0.0174439 hours remaining, 236.507812 MB of memory in use. ENERGY: 4979800 3992.9975 20588.2853 14376.9951 249.9829 -202669.8783 2260.0760 0.0000 0.0000 52141.4343 -109060.1073 299.6575 -161201.5416 -108704.3299 299.3700 -183.2474 -160.4405 762706.8479 0.5420 0.6376 PRESSURE: 4980000 50.8086 10.3205 -248.814 10.3204 -213.81 -71.9953 -248.814 -71.9946 261.87 GPRESSURE: 4980000 35.012 56.5707 -373.729 31.6994 -135.994 -154.771 -232.826 50.1812 287.349 PRESSAVG: 4980000 67.9969 38.9463 13.4624 38.9462 -23.1986 -20.4463 13.4623 -20.4463 -3.35613 GPRESSAVG: 4980000 68.5659 38.745 12.4334 38.0489 -23.6169 -18.8165 14.0476 -19.8503 -3.41112 TIMING: 4980000 CPU: 15547.6, 0.00309372/step Wall: 15547.6, 0.00309372/step, 0.0171873 hours remaining, 236.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4980000 4000.0409 20567.1618 14406.0047 243.6323 -202897.7998 2351.9196 0.0000 0.0000 52357.6505 -108971.3901 300.9001 -161329.0405 -108612.8918 299.9346 32.9562 62.1225 761521.5966 13.8141 13.8460 PRESSURE: 4980200 243.038 421.107 -103.302 421.107 -178.183 70.9187 -103.302 70.9194 56.9623 GPRESSURE: 4980200 259.091 451.865 -80.9975 328.707 -77.7835 -63.3356 -37.8524 179.845 30.7589 PRESSAVG: 4980200 33.6088 23.8653 -26.2736 23.8653 -30.2741 14.8619 -26.2736 14.8619 4.91741 GPRESSAVG: 4980200 32.9626 21.613 -25.1082 24.3064 -29.3826 16.0478 -25.0847 13.2861 5.03402 TIMING: 4980200 CPU: 15548.2, 0.00310957/step Wall: 15548.2, 0.00310957/step, 0.0171026 hours remaining, 236.507812 MB of memory in use. ENERGY: 4980200 3960.5925 20625.0467 14409.4938 227.9017 -202788.8284 2619.8987 0.0000 0.0000 52198.1829 -108747.7122 299.9837 -160945.8951 -108387.0730 299.8256 40.6059 70.6888 761779.6392 2.7507 2.8713 LDB: ============= START OF LOAD BALANCING ============== 15560.7 LDB: ============== END OF LOAD BALANCING =============== 15560.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15560.7 LDB: ============= START OF LOAD BALANCING ============== 15561 LDB: Largest compute 7057 load 0.029954 is 15.3% of average load 0.195416 LDB: Average compute 0.004384 is 2.2% of average load 0.195416 LDB: TIME 15561 LOAD: AVG 0.195416 MAX 0.214851 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.773 MB LDB: TIME 15561 LOAD: AVG 0.195416 MAX 0.214851 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.773 MB LDB: TIME 15561 LOAD: AVG 0.195416 MAX 0.214851 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.773 MB LDB: ============== END OF LOAD BALANCING =============== 15561 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15561 PRESSURE: 4980400 -135.631 -85.1881 -8.32427 -85.1878 75.9264 -90.1333 -8.32308 -90.1328 80.0702 GPRESSURE: 4980400 -130.969 -133.148 -8.04301 2.39539 79.669 -109.781 -159.097 -191.007 141.079 PRESSAVG: 4980400 21.2273 24.74 48.832 24.74 8.30861 4.38536 48.832 4.38543 -19.8924 GPRESSAVG: 4980400 22.2872 26.1196 48.7365 25.6558 6.95501 3.66468 46.1867 3.68455 -20.3131 TIMING: 4980400 CPU: 15548.9, 0.00316273/step Wall: 15548.9, 0.00316273/step, 0.0172193 hours remaining, 235.289062 MB of memory in use. ENERGY: 4980400 3991.8556 20641.5795 14430.4939 252.5187 -202811.2489 2497.9915 0.0000 0.0000 52311.6162 -108685.1935 300.6356 -160996.8098 -108319.8645 300.5083 6.7885 29.9263 761575.1304 3.2145 2.9764 PRESSURE: 4980600 355.732 -92.8333 77.7424 -92.8344 327.311 65.3608 77.7411 65.3621 -26.3328 GPRESSURE: 4980600 350.814 -130.887 50.2659 -64.0055 419.06 93.1018 3.61339 158.254 -36.7265 PRESSAVG: 4980600 6.19209 7.5479 -21.3301 7.54803 -5.75093 -9.52335 -21.3302 -9.52332 3.26213 GPRESSAVG: 4980600 3.24826 8.05175 -21.1844 5.54057 -5.18881 -10.0865 -19.5316 -7.36398 5.07459 TIMING: 4980600 CPU: 15549.5, 0.00309764/step Wall: 15549.5, 0.00309764/step, 0.0166928 hours remaining, 235.339844 MB of memory in use. ENERGY: 4980600 3976.2288 20498.0171 14485.6383 272.5064 -203246.1503 2930.3200 0.0000 0.0000 52402.6410 -108680.7987 301.1587 -161083.4397 -108308.9188 300.3654 218.9034 244.3827 762081.0754 1.2344 1.0447 PRESSURE: 4980800 373.482 211.266 -79.1835 211.267 -161.873 80.2797 -79.1824 80.2796 443.629 GPRESSURE: 4980800 351.376 185.725 8.27593 285.144 -84.26 93.3551 -156.544 49.2654 470.839 PRESSAVG: 4980800 35.5525 28.971 53.621 28.971 -23.1359 -47.924 53.621 -47.924 6.28342 GPRESSAVG: 4980800 36.5858 27.4518 53.724 31.0288 -23.1899 -47.1279 53.317 -50.258 5.30707 TIMING: 4980800 CPU: 15550.1, 0.00310888/step Wall: 15550.1, 0.00310888/step, 0.0165807 hours remaining, 235.425781 MB of memory in use. ENERGY: 4980800 3970.6043 20670.7890 14430.8935 248.3711 -202919.0806 2592.4039 0.0000 0.0000 52312.1693 -108693.8496 300.6388 -161006.0189 -108326.3070 300.6559 218.4125 245.9850 760862.9974 6.2334 6.2343 PRESSURE: 4981000 -228.932 -46.4991 -169.728 -46.4997 -16.5449 -25.1535 -169.729 -25.154 107.433 GPRESSURE: 4981000 -172.561 -43.27 -211.14 -5.73352 26.4667 -2.7709 -47.8815 -96.2652 78.702 PRESSAVG: 4981000 -23.9646 44.4965 -11.8357 44.4966 -5.88608 -0.266976 -11.8357 -0.26693 22.7833 GPRESSAVG: 4981000 -22.9723 45.1324 -12.1791 42.5542 -6.90133 -0.284309 -11.9689 1.3498 22.9141 TIMING: 4981000 CPU: 15550.7, 0.00311645/step Wall: 15550.7, 0.00311645/step, 0.0164479 hours remaining, 235.425781 MB of memory in use. ENERGY: 4981000 3971.3068 20645.7291 14442.1163 256.2171 -203243.8269 2877.1627 0.0000 0.0000 52279.2071 -108772.0878 300.4493 -161051.2949 -108412.7662 300.8285 -46.0146 -22.4642 762121.2493 -2.3558 -2.3198 PRESSURE: 4981200 -489.306 -4.98667 -49.7771 -4.98767 -70.9216 179.199 -49.7773 179.198 130.809 GPRESSURE: 4981200 -332.502 96.1273 4.53045 -78.59 -112.28 106.252 41.4083 169.732 114.916 PRESSAVG: 4981200 0.0416122 34.1622 -19.5685 34.1622 -11.6393 -41.6908 -19.5686 -41.6908 21.2319 GPRESSAVG: 4981200 0.112839 34.8675 -18.5842 35.6777 -10.6037 -43.571 -17.0908 -41.8446 20.1301 TIMING: 4981200 CPU: 15551.4, 0.00312427/step Wall: 15551.4, 0.00312427/step, 0.0163156 hours remaining, 235.628906 MB of memory in use. ENERGY: 4981200 3938.4034 20555.9873 14415.4205 255.5928 -202768.6665 2467.1585 0.0000 0.0000 52210.2982 -108925.8058 300.0533 -161136.1040 -108554.3585 300.1827 -143.1394 -109.9555 761519.4250 3.2114 3.2131 PRESSURE: 4981400 -377.868 -243.124 -8.5634 -243.125 -377.575 64.874 -8.56381 64.8742 -214.558 GPRESSURE: 4981400 -303.929 -202.46 -50.7203 -197.012 -413.136 -1.24254 -51.7157 97.3097 -174.472 PRESSAVG: 4981400 34.3938 -21.4495 -29.6205 -21.4495 -64.9061 -35.288 -29.6204 -35.288 1.62785 GPRESSAVG: 4981400 33.9954 -21.9049 -30.3885 -20.6319 -65.0843 -32.8501 -32.7995 -36.4846 1.8822 TIMING: 4981400 CPU: 15552, 0.00310322/step Wall: 15552, 0.00310322/step, 0.0160333 hours remaining, 235.628906 MB of memory in use. ENERGY: 4981400 4082.9898 20617.5036 14396.3108 216.9468 -202636.8110 2240.6086 0.0000 0.0000 52112.1772 -108970.2743 299.4894 -161082.4515 -108604.3888 300.3617 -323.3336 -297.1791 762655.9995 -9.6281 -9.7356 PRESSURE: 4981600 136.781 -151.792 135.221 -151.793 -407.712 181.53 135.221 181.53 137.863 GPRESSURE: 4981600 146.232 -81.4446 119.159 -211.157 -304.282 198.789 180.133 99.0494 116.832 PRESSAVG: 4981600 23.396 -12.7677 -25.2776 -12.7676 -33.1781 1.94645 -25.2776 1.94643 2.71225 GPRESSAVG: 4981600 22.2242 -13.4574 -24.8341 -12.0183 -32.1308 0.545881 -23.8996 2.00875 2.7667 TIMING: 4981600 CPU: 15552.6, 0.00310824/step Wall: 15552.6, 0.00310824/step, 0.0158866 hours remaining, 235.628906 MB of memory in use. ENERGY: 4981600 3994.1616 20664.0842 14347.5217 244.5719 -202574.7334 2392.5862 0.0000 0.0000 52168.8644 -108762.9434 299.8152 -160931.8079 -108393.2545 299.8937 -44.3562 -13.7395 762940.8028 -2.3566 -2.3799 PRESSURE: 4981800 -167.517 -136.19 -206.727 -136.19 103.472 196.227 -206.726 196.226 25.2438 GPRESSURE: 4981800 -49.1517 -137.537 -131.035 -34.8685 90.5248 157.564 -161.651 282.826 -8.1956 PRESSAVG: 4981800 46.4111 -20.2598 12.1993 -20.2599 -4.24302 15.3483 12.1992 15.3484 -11.7223 GPRESSAVG: 4981800 47.683 -20.1631 12.4298 -20.0992 -4.61462 14.799 11.8266 16.4159 -11.9772 TIMING: 4981800 CPU: 15553.2, 0.00309685/step Wall: 15553.2, 0.00309685/step, 0.0156563 hours remaining, 235.628906 MB of memory in use. ENERGY: 4981800 3996.3751 20576.0054 14449.6367 244.7503 -203173.2276 2707.4035 0.0000 0.0000 52377.2579 -108821.7988 301.0128 -161199.0566 -108465.6550 300.6081 -12.9337 11.0592 760751.5373 10.1486 10.3637 PRESSURE: 4982000 -249.669 -123.702 -444.408 -123.702 -158.031 160.089 -444.408 160.09 110.416 GPRESSURE: 4982000 -146.651 -76.9217 -380.077 -20.7896 -164.493 55.4902 -465.841 203.034 92.3105 PRESSAVG: 4982000 -27.2885 -10.6115 4.64532 -10.6115 42.7985 11.5147 4.64526 11.5147 -11.6517 GPRESSAVG: 4982000 -27.4236 -11.217 3.33084 -12.0538 43.6466 10.9826 4.51556 12.0115 -12.7306 TIMING: 4982000 CPU: 15553.8, 0.00310802/step Wall: 15553.8, 0.00310802/step, 0.0155401 hours remaining, 235.628906 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: 4982000 4008.5784 20690.5105 14415.3473 221.9243 -202841.8166 2563.3734 0.0000 0.0000 52518.0415 -108424.0410 301.8219 -160942.0825 -108065.2221 300.9840 -99.0948 -72.9446 762393.8824 1.2861 1.1641 PRESSURE: 4982200 341.822 -89.2244 94.9049 -89.2238 -254.429 215.569 94.9054 215.569 163.498 GPRESSURE: 4982200 325.398 -130.941 136.964 -78.2997 -151.463 170.409 140.497 53.8333 178.593 PRESSAVG: 4982200 -15.262 -46.04 23.2052 -46.0401 54.9279 -32.1997 23.2052 -32.1998 -5.22451 GPRESSAVG: 4982200 -16.0448 -45.8182 25.9766 -44.8506 54.8404 -30.622 21.9569 -35.0408 -4.1127 TIMING: 4982200 CPU: 15554.5, 0.00310634/step Wall: 15554.5, 0.00310634/step, 0.0153591 hours remaining, 235.628906 MB of memory in use. ENERGY: 4982200 3992.5888 20593.1549 14391.2899 239.4942 -203045.5817 2809.2434 0.0000 0.0000 52267.5800 -108752.2307 300.3825 -161019.8106 -108387.6593 301.3967 83.6303 117.5094 763401.6787 11.4805 11.5610 PRESSURE: 4982400 -152.118 34.9401 -138.515 34.9403 31.8225 44.6757 -138.514 44.6747 -401.511 GPRESSURE: 4982400 -127.814 -62.7345 -92.7994 -2.18219 46.1208 13.5881 -91.7491 82.6261 -365.05 PRESSAVG: 4982400 -4.01396 5.39302 15.8948 5.39304 5.91074 -31.377 15.8949 -31.3769 5.31317 GPRESSAVG: 4982400 -4.8954 4.13269 14.6813 5.27663 6.64176 -31.5846 16.6425 -29.2024 5.80225 TIMING: 4982400 CPU: 15555.1, 0.00311899/step Wall: 15555.1, 0.00311899/step, 0.0152484 hours remaining, 235.628906 MB of memory in use. ENERGY: 4982400 4073.8644 20656.0947 14432.4605 245.1386 -203105.3814 2514.1446 0.0000 0.0000 52075.4106 -109108.2680 299.2781 -161183.6786 -108742.3269 300.0585 -173.9354 -148.9141 762942.7705 2.4033 2.5162 PRESSURE: 4982600 -29.17 -32.5375 65.1504 -32.5385 -184.115 0.666596 65.1498 0.666716 -120.598 GPRESSURE: 4982600 11.4935 68.6625 106.957 -11.0573 -138.777 -31.4681 -104.012 -108.938 -109.536 PRESSAVG: 4982600 -28.2802 -15.6599 -23.05 -15.6599 -17.6512 25.5452 -23.0501 25.5452 -11.4022 GPRESSAVG: 4982600 -27.802 -14.8156 -23.8242 -15.7559 -18.1605 24.8045 -23.9162 25.957 -11.0723 TIMING: 4982600 CPU: 15555.7, 0.00311256/step Wall: 15555.7, 0.00311256/step, 0.015044 hours remaining, 235.628906 MB of memory in use. ENERGY: 4982600 4008.1304 20552.7534 14341.2674 226.6057 -202809.4181 2697.4703 0.0000 0.0000 52006.4551 -108976.7359 298.8818 -160983.1910 -108621.7854 300.1384 -111.2943 -78.9396 763145.1605 -19.1112 -19.0116 PRESSURE: 4982800 -90.9488 -80.753 127.433 -80.7525 62.8247 77.1609 127.433 77.1604 173.257 GPRESSURE: 4982800 66.6483 -38.5805 91.575 -152.016 19.6736 76.5773 238.99 9.89589 140.444 PRESSAVG: 4982800 -6.45099 -6.55793 -0.294999 -6.55799 -4.83816 12.7285 -0.295026 12.7284 -1.65591 GPRESSAVG: 4982800 -3.97536 -5.2154 0.690128 -6.8713 -6.10626 11.3259 -0.5442 12.9042 -2.69177 TIMING: 4982800 CPU: 15556.3, 0.00310561/step Wall: 15556.3, 0.00310561/step, 0.0148379 hours remaining, 235.628906 MB of memory in use. ENERGY: 4982800 4077.0416 20512.2829 14335.9261 239.6617 -203324.3864 2844.1193 0.0000 0.0000 52345.2052 -108970.1496 300.8286 -161315.3548 -108604.7936 299.6203 48.3777 75.5885 763329.4940 -4.3150 -4.2578 PRESSURE: 4983000 -192.687 29.8442 146.656 29.8438 -15.576 -29.0001 146.656 -28.9998 -326.303 GPRESSURE: 4983000 -179.901 90.6476 106.335 38.8553 -24.957 -69.3346 92.0385 98.1539 -260.611 PRESSAVG: 4983000 -2.66562 -26.8081 0.921438 -26.8081 4.38158 -52.8979 0.921491 -52.8979 11.8018 GPRESSAVG: 4983000 -4.66921 -28.0691 -0.391353 -27.1248 5.08736 -51.6439 1.71844 -54.0478 13.5285 TIMING: 4983000 CPU: 15556.9, 0.00309773/step Wall: 15556.9, 0.00309773/step, 0.0146282 hours remaining, 235.628906 MB of memory in use. ENERGY: 4983000 3961.0888 20528.3691 14372.4852 241.7813 -202627.0456 2451.3129 0.0000 0.0000 51927.2927 -109144.7155 298.4269 -161072.0082 -108783.5201 299.7392 -178.1887 -155.1564 764440.0259 4.5059 4.6489 PRESSURE: 4983200 11.9955 215.903 -148.371 215.902 -48.6176 -182.795 -148.37 -182.795 -35.6173 GPRESSURE: 4983200 61.315 163.447 -200.501 174.717 -1.33206 -189.649 -10.4572 -166.918 -49.4822 PRESSAVG: 4983200 -39.8067 -11.024 -49.6093 -11.024 -23.0507 -8.67805 -49.6093 -8.67806 20.2519 GPRESSAVG: 4983200 -39.4974 -10.7375 -50.4874 -11.2368 -22.6803 -8.68009 -49.0888 -8.42982 19.2923 TIMING: 4983200 CPU: 15557.6, 0.00310524/step Wall: 15557.6, 0.00310524/step, 0.0144911 hours remaining, 235.628906 MB of memory in use. ENERGY: 4983200 4005.9053 20522.6788 14478.2497 250.4101 -202967.2377 2495.7701 0.0000 0.0000 52188.9996 -109025.2241 299.9309 -161214.2237 -108678.7820 299.2195 -24.0798 3.5002 762433.4689 -14.2018 -14.2952 PRESSURE: 4983400 -111.448 58.4321 46.8766 58.4326 43.7966 -59.3685 46.8756 -59.3678 243.701 GPRESSURE: 4983400 -56.7138 -56.2102 80.3033 118.045 119.292 -51.8505 -4.93366 -105.935 207.283 PRESSAVG: 4983400 -1.72473 43.7509 -9.6863 43.7509 5.8234 -10.0285 -9.68633 -10.0285 0.334676 GPRESSAVG: 4983400 -1.52721 42.5175 -8.37616 45.024 6.04819 -8.71643 -10.2843 -11.6959 -0.363627 TIMING: 4983400 CPU: 15558.2, 0.00309915/step Wall: 15558.2, 0.00309915/step, 0.0142905 hours remaining, 235.628906 MB of memory in use. ENERGY: 4983400 3964.3624 20396.8352 14362.5104 249.4207 -203205.6477 2861.2972 0.0000 0.0000 52131.8285 -109239.3933 299.6023 -161371.2218 -108867.0020 299.7143 58.6831 89.9537 761960.1951 1.4778 1.3858 PRESSURE: 4983600 -224.402 -89.563 -77.28 -89.5633 -139.339 -270.454 -77.2801 -270.453 287.005 GPRESSURE: 4983600 -290.006 -175.071 -104.968 -47.6664 -80.4495 -238.765 -103.08 -219.901 359.977 PRESSAVG: 4983600 -21.7911 -21.1818 -45.5524 -21.1818 27.3478 18.5393 -45.5525 18.5393 -5.11249 GPRESSAVG: 4983600 -22.3537 -20.0043 -47.3675 -21.4984 26.9344 18.1039 -43.8481 20.9188 -3.85482 TIMING: 4983600 CPU: 15558.8, 0.00310492/step Wall: 15558.8, 0.00310492/step, 0.0141446 hours remaining, 235.628906 MB of memory in use. ENERGY: 4983600 4043.7693 20592.5054 14342.8263 230.8243 -203301.9061 2688.2060 0.0000 0.0000 52066.3832 -109337.3916 299.2262 -161403.7748 -108979.3493 299.4983 -25.5787 -3.4927 762387.4627 0.1480 0.2420 PRESSURE: 4983800 -418.495 170.763 -80.4192 170.762 145.879 129.275 -80.4189 129.275 26.9046 GPRESSURE: 4983800 -297.01 122.814 -176.068 201.057 84.7319 101.102 -74.1208 106.973 42.5002 PRESSAVG: 4983800 -15.808 -12.1222 -25.5325 -12.1222 30.6629 51.3712 -25.5325 51.3711 0.172 GPRESSAVG: 4983800 -14.4855 -13.096 -24.614 -12.916 29.6777 50.3067 -27.3293 51.8601 -0.49533 TIMING: 4983800 CPU: 15559.4, 0.00310025/step Wall: 15559.4, 0.00310025/step, 0.0139511 hours remaining, 235.628906 MB of memory in use. ENERGY: 4983800 4019.3576 20523.3321 14393.8429 257.0206 -202992.3072 2619.0765 0.0000 0.0000 51837.7709 -109341.9066 297.9124 -161179.6775 -108992.4177 299.3720 -81.9039 -56.5926 760876.2290 5.0090 4.8990 PRESSURE: 4984000 -42.6351 -34.4751 -140.449 -34.4747 -24.6678 42.0458 -140.448 42.0457 363.23 GPRESSURE: 4984000 53.0732 -53.8866 -139.942 19.8097 -50.564 33.0097 -151.012 50.2813 392.208 PRESSAVG: 4984000 -18.0242 51.8212 17.3584 51.8212 46.8707 25.8742 17.3584 25.8742 20.2205 GPRESSAVG: 4984000 -18.5637 51.4961 17.9522 53.2817 48.4608 25.6971 19.9607 23.9705 19.9323 TIMING: 4984000 CPU: 15560, 0.00309389/step Wall: 15560, 0.00309389/step, 0.0137506 hours remaining, 235.628906 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: 4984000 3928.2814 20490.5044 14337.8340 268.8540 -203298.3473 2771.7247 0.0000 0.0000 52167.0721 -109334.0767 299.8049 -161501.1488 -108978.4320 299.1935 98.6424 131.5722 761702.3992 16.3556 16.6098 PRESSURE: 4984200 -38.7097 -78.7697 -76.9215 -78.7686 -63.5947 69.9884 -76.9218 69.9887 20.2524 GPRESSURE: 4984200 51.9577 -71.4527 -159.853 27.7864 -113.208 117.747 -135.753 42.4822 66.4623 PRESSAVG: 4984200 -21.7503 -4.10552 12.4346 -4.10546 22.9926 5.42325 12.4346 5.42324 8.15381 GPRESSAVG: 4984200 -21.0844 -4.10714 13.8033 -5.40052 21.8559 5.76814 9.50358 6.29293 8.71437 TIMING: 4984200 CPU: 15560.7, 0.00311642/step Wall: 15560.7, 0.00311642/step, 0.0136776 hours remaining, 235.628906 MB of memory in use. ENERGY: 4984200 3950.5560 20674.6174 14393.2771 252.0090 -203444.0836 2887.0012 0.0000 0.0000 52053.3532 -109233.2697 299.1513 -161286.6229 -108878.0487 299.1113 -27.3507 1.7372 761605.0940 3.1321 3.1620 LDB: ============= START OF LOAD BALANCING ============== 15573.1 LDB: ============== END OF LOAD BALANCING =============== 15573.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15573.1 LDB: ============= START OF LOAD BALANCING ============== 15573.5 LDB: Largest compute 7070 load 0.031178 is 15.9% of average load 0.195492 LDB: Average compute 0.004409 is 2.3% of average load 0.195492 LDB: TIME 15573.5 LOAD: AVG 0.195492 MAX 0.21518 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 233.75 MB LDB: TIME 15573.5 LOAD: AVG 0.195492 MAX 0.21518 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.828 MB LDB: TIME 15573.5 LOAD: AVG 0.195492 MAX 0.21518 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.828 MB LDB: ============== END OF LOAD BALANCING =============== 15573.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15573.5 PRESSURE: 4984400 -351.91 -121.371 -25.5333 -121.371 159.908 -83.6386 -25.5337 -83.6385 147.69 GPRESSURE: 4984400 -239.969 -6.23046 -42.4842 -61.1129 128.017 -73.3401 26.5237 -47.0515 130.801 PRESSAVG: 4984400 11.8155 -29.9337 58.318 -29.9337 7.66078 25.2011 58.318 25.2012 -0.742422 GPRESSAVG: 4984400 11.2982 -28.1184 56.8481 -29.7827 8.94426 25.5748 57.4915 24.7266 -1.80873 TIMING: 4984400 CPU: 15561.3, 0.0031783/step Wall: 15561.3, 0.0031783/step, 0.0137726 hours remaining, 234.261719 MB of memory in use. ENERGY: 4984400 3917.0396 20476.7987 14429.6702 234.9573 -202883.7496 2574.4373 0.0000 0.0000 51948.4038 -109302.4428 298.5482 -161250.8466 -108937.9804 299.8895 -14.7705 6.2827 761231.9253 6.2446 6.1446 PRESSURE: 4984600 -310.925 105.82 42.3099 105.82 -420.909 -136.805 42.3105 -136.805 -157.486 GPRESSURE: 4984600 -310.603 137.501 7.21624 138.305 -409.656 -159.225 -5.36154 -236.554 -103.232 PRESSAVG: 4984600 -58.9422 18.0835 -28.2216 18.0835 49.6108 -39.7996 -28.2216 -39.7995 0.227534 GPRESSAVG: 4984600 -59.9434 19.4647 -27.2077 18.5444 50.5313 -39.3465 -27.6153 -39.7374 0.333429 TIMING: 4984600 CPU: 15561.9, 0.00309978/step Wall: 15561.9, 0.00309978/step, 0.0132602 hours remaining, 234.320312 MB of memory in use. ENERGY: 4984600 4057.7103 20432.8915 14362.6057 232.1219 -202895.2564 2421.9892 0.0000 0.0000 52183.9448 -109203.9929 299.9018 -161387.9377 -108837.4080 299.4920 -296.4399 -274.4972 760822.0604 -3.0346 -3.0262 PRESSURE: 4984800 36.6453 -98.1742 50.1251 -98.174 245.211 151.677 50.1254 151.677 -84.7436 GPRESSURE: 4984800 62.0379 7.29976 65.1739 -123.89 241.402 148.959 42.7734 161.4 -25.6213 PRESSAVG: 4984800 -46.6147 -33.1744 -14.0317 -33.1743 31.6522 -32.9131 -14.0316 -32.913 5.94576 GPRESSAVG: 4984800 -46.6383 -33.9318 -15.8963 -33.1769 30.3584 -34.5011 -12.7987 -34.5191 6.68935 TIMING: 4984800 CPU: 15562.5, 0.00310039/step Wall: 15562.5, 0.00310039/step, 0.0130905 hours remaining, 234.386719 MB of memory in use. ENERGY: 4984800 4013.2604 20509.9316 14455.2656 244.7781 -203242.6406 2855.2817 0.0000 0.0000 52194.9455 -108969.1777 299.9651 -161164.1232 -108609.5847 300.0180 65.7043 92.6063 762125.6359 -3.0056 -3.1968 PRESSURE: 4985000 -124.023 75.5007 -71.0549 75.5005 -129.302 -134.11 -71.0539 -134.111 211.735 GPRESSURE: 4985000 -41.2923 57.9862 -104.899 67.8273 -52.2495 -236.138 -112.566 55.9191 156.947 PRESSAVG: 4985000 12.7706 -4.41998 -18.4488 -4.41998 -17.033 12.5898 -18.4487 12.5899 3.6191 GPRESSAVG: 4985000 12.8539 -5.18716 -17.0376 -4.78363 -17.6002 12.8696 -20.4061 17.1501 3.47524 TIMING: 4985000 CPU: 15563.2, 0.00310049/step Wall: 15563.2, 0.00310049/step, 0.0129187 hours remaining, 234.386719 MB of memory in use. ENERGY: 4985000 3969.1166 20498.5355 14486.8383 232.9055 -203264.2350 2711.3546 0.0000 0.0000 52131.2643 -109234.2201 299.5991 -161365.4845 -108868.3362 299.7101 -13.8633 21.1351 760779.9051 -0.2144 -0.4237 PRESSURE: 4985200 -236.202 -18.5594 41.457 -18.5604 -18.2059 175.368 41.4558 175.367 -342.316 GPRESSURE: 4985200 -187.153 -85.0085 15.1369 -162.474 -17.6719 191.625 158.008 63.9497 -322.639 PRESSAVG: 4985200 9.37732 -33.1317 30.6363 -33.1317 9.01488 21.3661 30.6362 21.366 12.2533 GPRESSAVG: 4985200 9.80158 -31.8523 31.6201 -32.6589 8.29207 21.1325 32.1908 20.0894 12.9543 TIMING: 4985200 CPU: 15563.8, 0.00310532/step Wall: 15563.8, 0.00310532/step, 0.0127663 hours remaining, 234.386719 MB of memory in use. ENERGY: 4985200 4016.7583 20482.5513 14382.0627 253.0278 -203317.8229 2540.7574 0.0000 0.0000 52270.4565 -109372.2089 300.3990 -161642.6654 -109012.8374 299.2309 -198.9077 -175.8214 762173.6434 10.2152 10.3493 PRESSURE: 4985400 247.996 -110.981 152.072 -110.982 -203.909 61.263 152.072 61.2625 -38.0048 GPRESSURE: 4985400 201.707 -77.4496 180.508 -117.582 -90.9773 -56.2359 6.12683 86.5753 -40.0892 PRESSAVG: 4985400 41.9293 -23.7471 52.2239 -23.7471 -44.4878 26.2932 52.2239 26.2932 6.64192 GPRESSAVG: 4985400 40.4414 -26.0074 52.2618 -23.5715 -42.66 26.3263 50.8657 25.4759 5.72393 TIMING: 4985400 CPU: 15564.4, 0.00308897/step Wall: 15564.4, 0.00308897/step, 0.0125275 hours remaining, 234.386719 MB of memory in use. ENERGY: 4985400 4010.9873 20519.6839 14432.2942 248.9846 -203390.8679 2818.9619 0.0000 0.0000 52179.6241 -109180.3319 299.8770 -161359.9560 -108821.7805 299.3040 2.0273 23.5467 761207.0031 1.3611 1.1684 PRESSURE: 4985600 295.114 195.449 -67.5713 195.448 -177.226 -69.8422 -67.5714 -69.8419 -144.933 GPRESSURE: 4985600 252.681 71.9705 -92.3824 185.637 -100.126 -28.8201 -9.33055 -145.147 -93.8439 PRESSAVG: 4985600 3.84618 -17.3699 -48.7431 -17.3699 9.8298 -2.14765 -48.7431 -2.14764 -4.37332 GPRESSAVG: 4985600 5.34039 -15.5239 -48.0873 -20.0851 8.40829 -3.08762 -46.9374 -0.0792023 -4.22579 TIMING: 4985600 CPU: 15565, 0.00310077/step Wall: 15565, 0.00310077/step, 0.0124031 hours remaining, 234.386719 MB of memory in use. ENERGY: 4985600 4048.3693 20579.3948 14396.6444 247.1474 -203383.4606 2792.0433 0.0000 0.0000 52148.2697 -109171.5918 299.6968 -161319.8614 -108822.8095 299.6684 -9.0149 19.5705 762252.2687 3.1009 3.1743 PRESSURE: 4985800 -5.75554 -69.4181 221.904 -69.4171 -248.842 -108.522 221.905 -108.523 -340.372 GPRESSURE: 4985800 47.8421 -184.938 100.972 19.5242 -221.602 -85.594 239.953 -59.8308 -329.345 PRESSAVG: 4985800 4.69526 12.0444 -27.3488 12.0444 -16.184 14.811 -27.3488 14.811 3.57937 GPRESSAVG: 4985800 4.68434 9.37387 -26.4589 15.0276 -16.5423 16.1295 -28.8224 10.6601 4.0014 TIMING: 4985800 CPU: 15565.6, 0.0031008/step Wall: 15565.6, 0.0031008/step, 0.0122309 hours remaining, 234.386719 MB of memory in use. ENERGY: 4985800 3971.9474 20453.4037 14452.4869 242.4564 -203093.7625 2605.3784 0.0000 0.0000 52177.6792 -109190.4105 299.8658 -161368.0897 -108828.6197 299.2018 -198.3231 -167.7016 763713.9896 -2.6365 -2.6188 PRESSURE: 4986000 15.1295 -135.415 -70.2259 -135.416 213.726 179.792 -70.2269 179.792 367.225 GPRESSURE: 4986000 156.224 -231.162 -109.022 -53.7613 255.431 160.755 -85.8067 179.391 287.253 PRESSAVG: 4986000 39.2363 -32.7211 -19.7331 -32.7211 -65.609 29.5828 -19.7331 29.5828 -6.63055 GPRESSAVG: 4986000 40.2219 -31.0297 -21.9846 -33.5348 -65.5126 29.9277 -17.6595 30.8387 -7.57833 TIMING: 4986000 CPU: 15566.3, 0.00309313/step Wall: 15566.3, 0.00309313/step, 0.0120288 hours remaining, 234.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4986000 3949.0635 20397.5079 14382.3897 247.0327 -203859.3181 3119.6729 0.0000 0.0000 52613.3439 -109150.3074 302.3696 -161763.6513 -108779.6881 299.7209 198.6936 232.9691 762715.6688 -11.0011 -10.9563 PRESSURE: 4986200 409.754 29.5883 52.6712 29.589 48.3173 150.958 52.6709 150.959 171.651 GPRESSURE: 4986200 394.877 100.343 49.5876 -10.8368 147.784 164.378 -132.312 54.8384 181.366 PRESSAVG: 4986200 -11.9477 -21.0772 1.34293 -21.0773 9.54851 -9.24063 1.34302 -9.24061 -14.8089 GPRESSAVG: 4986200 -13.1774 -19.8589 1.31924 -21.5021 10.6791 -10.0614 -1.05164 -8.03732 -14.6066 TIMING: 4986200 CPU: 15566.9, 0.00309376/step Wall: 15566.9, 0.00309376/step, 0.0118594 hours remaining, 234.386719 MB of memory in use. ENERGY: 4986200 3910.7936 20558.8524 14461.9908 230.8987 -203123.4248 2789.6829 0.0000 0.0000 52195.1771 -108976.0294 299.9664 -161171.2065 -108612.7703 300.0285 209.9074 241.3428 763144.5002 -5.7360 -5.7016 PRESSURE: 4986400 -295.967 -173.685 69.1067 -173.685 176.522 -134.52 69.1074 -134.52 -281.925 GPRESSURE: 4986400 -254.177 -260.235 89.1527 -123.037 182.658 -102.037 190.519 -122.986 -250.18 PRESSAVG: 4986400 6.73621 11.433 21.6966 11.433 40.0832 -19.9799 21.6966 -19.9798 24.1601 GPRESSAVG: 4986400 6.7622 8.40818 23.8824 12.6925 38.5924 -19.6697 24.5857 -22.5772 25.5339 TIMING: 4986400 CPU: 15567.5, 0.00309361/step Wall: 15567.5, 0.00309361/step, 0.011687 hours remaining, 234.386719 MB of memory in use. ENERGY: 4986400 4011.4879 20658.6925 14482.7523 235.0145 -203502.5018 2762.9495 0.0000 0.0000 52164.9590 -109186.6462 299.7927 -161351.6052 -108834.3735 299.8878 -133.7897 -107.2333 761726.5756 23.6598 23.6295 PRESSURE: 4986600 -157.856 51.8001 6.57497 51.7994 -29.5801 134.9 6.57506 134.9 -8.96973 GPRESSURE: 4986600 -89.6264 195.366 11.6959 92.5181 -29.7523 284.1 -36.624 101.754 -11.7461 PRESSAVG: 4986600 -46.6942 16.9435 -51.8569 16.9435 17.4157 -37.6638 -51.8569 -37.6637 -12.3305 GPRESSAVG: 4986600 -45.4746 18.5013 -52.4673 15.566 18.8182 -37.2745 -54.6849 -36.7587 -15.3991 TIMING: 4986600 CPU: 15568.1, 0.00311092/step Wall: 15568.1, 0.00311092/step, 0.0115795 hours remaining, 234.386719 MB of memory in use. ENERGY: 4986600 3972.0279 20707.5801 14470.7417 233.0585 -203766.3984 2738.4317 0.0000 0.0000 52309.9321 -109334.6264 300.6259 -161644.5585 -108972.7072 299.5775 -65.4687 -43.7083 761342.5646 -13.8697 -14.0185 PRESSURE: 4986800 -49.6705 14.0647 169.561 14.0649 278.286 -90.811 169.56 -90.8103 40.1335 GPRESSURE: 4986800 -36.9205 -83.206 138.053 85.2694 333.321 -95.9227 174.997 -96.5769 33.7784 PRESSAVG: 4986800 -9.82609 48.6996 16.041 48.6996 -26.3877 -13.3331 16.041 -13.3331 -18.554 GPRESSAVG: 4986800 -11.5754 47.0664 15.5648 49.5776 -26.4527 -13.5232 17.2227 -12.0499 -17.4093 TIMING: 4986800 CPU: 15568.7, 0.0030866/step Wall: 15568.7, 0.0030866/step, 0.0113175 hours remaining, 234.386719 MB of memory in use. ENERGY: 4986800 3968.0848 20485.6243 14422.8182 232.7672 -203490.6040 2744.8073 0.0000 0.0000 52410.1796 -109226.3227 301.2020 -161636.5023 -108862.9090 299.7595 89.5829 110.0598 760782.6627 -18.2559 -18.4791 PRESSURE: 4987000 -110.658 120.65 34.5899 120.65 -198.872 105.08 34.5897 105.08 31.3363 GPRESSURE: 4987000 -52.7266 157.874 -26.1033 92.3055 -213.519 108.07 -103.096 144.511 80.0159 PRESSAVG: 4987000 -4.4299 12.8762 52.5667 12.8762 -6.63591 28.1727 52.5667 28.1727 34.2038 GPRESSAVG: 4987000 -3.17323 14.8175 52.6356 11.1594 -8.8163 27.4743 52.2683 29.4612 34.8723 TIMING: 4987000 CPU: 15569.4, 0.00309347/step Wall: 15569.4, 0.00309347/step, 0.0111709 hours remaining, 234.386719 MB of memory in use. ENERGY: 4987000 3950.2988 20554.3152 14390.1470 245.5996 -203475.3391 2751.9227 0.0000 0.0000 52011.7232 -109571.3326 298.9121 -161583.0559 -109200.7501 299.2184 -92.7313 -62.0766 761217.8423 7.7127 7.6276 PRESSURE: 4987200 67.0282 86.0273 -83.5216 86.0265 320.972 90.4538 -83.5214 90.4529 237.229 GPRESSURE: 4987200 197.082 46.5749 -29.3728 73.8526 266.217 83.8542 -49.59 -23.2744 246.053 PRESSAVG: 4987200 45.8329 -16.0705 13.9478 -16.0705 -71.3361 52.9927 13.9478 52.9926 -15.0573 GPRESSAVG: 4987200 45.1288 -16.2459 13.9234 -15.798 -70.9213 54.268 13.7734 50.2453 -15.0973 TIMING: 4987200 CPU: 15570, 0.00309772/step Wall: 15570, 0.00309772/step, 0.0110141 hours remaining, 234.386719 MB of memory in use. ENERGY: 4987200 4078.9510 20592.8614 14400.2787 261.3490 -204056.4988 3147.3922 0.0000 0.0000 51984.5635 -109591.1030 298.7560 -161575.6665 -109238.2001 298.9902 208.4097 236.4507 762920.6148 -13.5202 -13.6299 PRESSURE: 4987400 -338.683 -130.661 -65.356 -130.662 -336.758 76.5173 -65.3549 76.5172 -167.627 GPRESSURE: 4987400 -334.246 -67.1716 -124.152 -125.591 -322.23 -69.7373 2.79231 53.7477 -112.835 PRESSAVG: 4987400 70.4736 -47.8336 4.23948 -47.8337 -19.6321 32.3462 4.23951 32.3461 -4.78157 GPRESSAVG: 4987400 70.4472 -48.238 5.2247 -47.3743 -18.9591 32.7982 3.00427 30.7862 -5.43355 TIMING: 4987400 CPU: 15570.6, 0.00311705/step Wall: 15570.6, 0.00311705/step, 0.0109097 hours remaining, 234.386719 MB of memory in use. ENERGY: 4987400 4028.3740 20614.5948 14413.9696 255.0756 -203364.0102 2475.6038 0.0000 0.0000 51897.6880 -109678.7044 298.2567 -161576.3925 -109315.1428 298.7189 -281.0227 -256.4368 763204.8172 15.3533 15.3515 PRESSURE: 4987600 34.13 110.843 -184.581 110.843 86.1847 -300.285 -184.582 -300.286 361.785 GPRESSURE: 4987600 39.17 155.766 -141.975 113.239 119.943 -299.742 -248.662 -370.15 401.548 PRESSAVG: 4987600 -14.7322 11.3942 -5.03361 11.3942 2.39994 -45.3414 -5.03359 -45.3415 0.435993 GPRESSAVG: 4987600 -15.814 10.1374 -6.05263 12.968 3.67548 -45.1561 -4.37557 -45.0314 -0.474247 TIMING: 4987600 CPU: 15571.2, 0.00312994/step Wall: 15571.2, 0.00312994/step, 0.0107809 hours remaining, 234.386719 MB of memory in use. ENERGY: 4987600 3918.6883 20483.0069 14433.1605 247.5161 -203555.3122 2860.4634 0.0000 0.0000 52050.5468 -109561.9303 299.1352 -161612.4770 -109197.2573 298.6615 160.6999 186.8871 761812.1687 -3.9654 -4.2042 PRESSURE: 4987800 -139.386 -192.303 128.743 -192.303 -196.994 -95.9187 128.743 -95.9186 -15.2226 GPRESSURE: 4987800 -202.31 -184.895 247.834 -128.079 -77.1217 -102.37 93.7767 -66.4392 9.38902 PRESSAVG: 4987800 35.7051 -0.215141 3.92833 -0.215224 -8.35614 3.527 3.92834 3.52705 12.5891 GPRESSAVG: 4987800 35.9563 -0.0514185 6.55368 -2.91924 -9.18429 3.20229 2.65444 2.58385 13.2695 TIMING: 4987800 CPU: 15571.9, 0.00313036/step Wall: 15571.9, 0.00313036/step, 0.0106084 hours remaining, 234.386719 MB of memory in use. ENERGY: 4987800 3981.0401 20474.3783 14423.5824 248.6718 -202858.9579 2191.2172 0.0000 0.0000 52101.3643 -109438.7038 299.4273 -161540.0681 -109067.0303 299.1532 -117.2006 -90.0142 762228.6850 13.3127 13.3472 PRESSURE: 4988000 -105.455 34.2001 231.045 34.2003 33.2211 -91.7467 231.045 -91.7473 64.3858 GPRESSURE: 4988000 -36.8194 -26.0201 290.559 102.426 57.0464 -129.69 302.253 -50.934 57.7119 PRESSAVG: 4988000 -9.08759 8.58783 53.2483 8.58774 -12.7591 10.6578 53.2483 10.6578 -33.1234 GPRESSAVG: 4988000 -8.15078 11.0924 51.066 8.01708 -13.3882 11.1087 56.5737 13.9259 -33.1915 TIMING: 4988000 CPU: 15572.5, 0.00311415/step Wall: 15572.5, 0.00311415/step, 0.0103805 hours remaining, 234.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4988000 3951.9006 20725.8496 14410.4952 249.4553 -203184.6696 2526.8687 0.0000 0.0000 51861.7081 -109458.3922 298.0499 -161320.1003 -109104.0156 299.2912 -2.6161 25.9797 760270.7880 -18.3234 -18.2435 PRESSURE: 4988200 -121.565 9.98217 -148.916 9.98252 -230.408 -16.4485 -148.916 -16.4486 -229.255 GPRESSURE: 4988200 -134.417 -93.4274 -203.355 -53.0973 -207.716 -35.0519 -214.574 144.754 -158.039 PRESSAVG: 4988200 -0.772445 48.3461 37.0045 48.3461 0.981299 -9.19707 37.0045 -9.19709 21.4747 GPRESSAVG: 4988200 -1.9871 44.9863 35.7955 51.2712 0.948302 -11.0337 35.7136 -7.94127 21.7736 TIMING: 4988200 CPU: 15573.1, 0.00308831/step Wall: 15573.1, 0.00308831/step, 0.0101228 hours remaining, 234.386719 MB of memory in use. ENERGY: 4988200 3943.4744 20670.0778 14434.4478 244.5306 -203176.4581 2492.9520 0.0000 0.0000 51886.2860 -109504.6895 298.1912 -161390.9755 -109151.2991 298.6226 -193.7427 -166.7241 760589.5794 7.2278 6.9116 LDB: ============= START OF LOAD BALANCING ============== 15585.6 LDB: ============== END OF LOAD BALANCING =============== 15585.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15585.6 LDB: ============= START OF LOAD BALANCING ============== 15585.9 LDB: Largest compute 7070 load 0.030255 is 15.5% of average load 0.195405 LDB: Average compute 0.004391 is 2.2% of average load 0.195405 LDB: TIME 15585.9 LOAD: AVG 0.195405 MAX 0.213378 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 235.93 MB LDB: TIME 15585.9 LOAD: AVG 0.195405 MAX 0.213378 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.93 MB LDB: TIME 15585.9 LOAD: AVG 0.195405 MAX 0.213378 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.93 MB LDB: ============== END OF LOAD BALANCING =============== 15585.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15585.9 PRESSURE: 4988400 -57.8293 92.7771 48.6773 92.7768 37.8582 -95.4918 48.6774 -95.4923 178.421 GPRESSURE: 4988400 -110.78 191.132 59.4706 140.055 100.641 -168.593 155.795 11.9281 221.106 PRESSAVG: 4988400 -12.8351 30.994 45.9012 30.994 19.5198 -0.665974 45.9013 -0.665933 -10.6592 GPRESSAVG: 4988400 -13.5906 33.547 47.4121 29.1173 20.5806 -0.345634 46.0211 -2.47692 -11.4155 TIMING: 4988400 CPU: 15573.7, 0.00317345/step Wall: 15573.7, 0.00317345/step, 0.0102256 hours remaining, 234.261719 MB of memory in use. ENERGY: 4988400 3976.2921 20551.3222 14391.3777 251.8754 -203235.3338 2728.8522 0.0000 0.0000 51953.8412 -109381.7730 298.5794 -161335.6142 -109026.5979 299.2398 52.8167 70.3225 762865.2498 -1.3248 -1.4752 PRESSURE: 4988600 -177.26 85.3656 295.438 85.3651 179.648 -1.30531 295.437 -1.30573 -14.6533 GPRESSURE: 4988600 6.55322 43.1014 234.735 81.4535 94.5266 -23.0215 212.495 135.858 -14.0512 PRESSAVG: 4988600 22.9911 22.4607 13.9117 22.4606 0.525086 2.55837 13.9117 2.55841 8.44463 GPRESSAVG: 4988600 24.732 22.4095 13.889 23.6884 -0.987995 2.81201 13.799 2.36861 8.14988 TIMING: 4988600 CPU: 15574.4, 0.00312639/step Wall: 15574.4, 0.00312639/step, 0.00990023 hours remaining, 234.261719 MB of memory in use. ENERGY: 4988600 4016.2462 20660.3270 14379.9092 269.2593 -202995.2243 2507.3889 0.0000 0.0000 51932.6780 -109229.4157 298.4578 -161162.0937 -108871.6666 299.1548 -4.0885 29.0095 763297.8980 10.6536 10.6313 PRESSURE: 4988800 -45.0927 -96.1447 22.0735 -96.145 113.565 -64.6577 22.074 -64.6579 284.138 GPRESSURE: 4988800 -44.2083 -120.858 -25.0009 18.9464 141.26 -162.602 34.2945 -26.7261 329.419 PRESSAVG: 4988800 20.8352 -12.8529 -13.5764 -12.8529 -39.6883 -88.3151 -13.5764 -88.3151 28.1954 GPRESSAVG: 4988800 21.0948 -12.0939 -13.5051 -13.2595 -39.3132 -88.7014 -16.4774 -88.6153 27.9655 TIMING: 4988800 CPU: 15575, 0.00310709/step Wall: 15575, 0.00310708/step, 0.00966649 hours remaining, 234.386719 MB of memory in use. ENERGY: 4988800 3969.3247 20569.4105 14313.3512 234.1355 -203182.7811 2702.6124 0.0000 0.0000 52127.9482 -109265.9987 299.5800 -161393.9469 -108907.5196 299.2629 117.5367 142.1571 763339.8040 3.1141 3.2491 PRESSURE: 4989000 120.203 284.413 20.2236 284.414 82.1559 139.383 20.2242 139.383 -269.976 GPRESSURE: 4989000 129.24 225.649 42.7222 224.132 227.71 143.405 112.772 105.859 -322.417 PRESSAVG: 4989000 42.591 -3.21918 -60.456 -3.21914 16.4112 -4.51063 -60.4561 -4.51058 14.7756 GPRESSAVG: 4989000 42.3138 -5.65317 -61.2814 -1.88243 16.8853 -3.42272 -55.8668 -5.91301 14.7237 TIMING: 4989000 CPU: 15575.6, 0.00308633/step Wall: 15575.6, 0.00308634/step, 0.00943047 hours remaining, 234.386719 MB of memory in use. ENERGY: 4989000 3945.2889 20694.2142 14379.8096 250.8101 -203679.6028 3013.5077 0.0000 0.0000 52180.1946 -109215.7777 299.8803 -161395.9724 -108849.1788 299.4298 -22.5389 11.5113 762180.0383 24.5926 24.6410 PRESSURE: 4989200 -210.624 196.561 -43.953 196.56 -105.418 -198.651 -43.9529 -198.651 -158.871 GPRESSURE: 4989200 -249.111 180.396 -121.847 38.8925 -15.9843 -230.779 -135.074 -199.702 -116.271 PRESSAVG: 4989200 -18.3139 2.7407 -29.5232 2.74067 -50.9081 -11.6727 -29.5232 -11.6727 -3.59766 GPRESSAVG: 4989200 -18.5617 4.65734 -28.0218 0.438491 -52.2404 -13.5205 -32.2504 -10.0922 -2.38459 TIMING: 4989200 CPU: 15576.2, 0.00309328/step Wall: 15576.2, 0.00309328/step, 0.00927984 hours remaining, 234.386719 MB of memory in use. ENERGY: 4989200 3864.0274 20599.1366 14467.7113 259.2700 -203110.1410 2649.6411 0.0000 0.0000 52096.8060 -109173.5488 299.4011 -161270.3547 -108799.2945 299.6002 -158.3044 -127.1221 764661.2908 -24.2732 -24.3956 PRESSURE: 4989400 -103.99 -114.137 -235.817 -114.137 -12.1728 -96.9003 -235.817 -96.9016 -292.583 GPRESSURE: 4989400 -157.353 -124.094 -232.302 -208.237 70.6074 -54.0509 -170.772 -36.1345 -232.106 PRESSAVG: 4989400 -34.6577 12.1241 -29.593 12.1241 61.2523 19.5263 -29.5929 19.5263 23.5227 GPRESSAVG: 4989400 -34.5938 11.3082 -31.8108 13.2277 61.6106 20.1939 -28.447 20.8319 22.8525 TIMING: 4989400 CPU: 15576.8, 0.00308612/step Wall: 15576.8, 0.00308612/step, 0.00908691 hours remaining, 234.386719 MB of memory in use. ENERGY: 4989400 4017.8923 20679.7164 14484.1227 255.1091 -203222.8075 2783.5418 0.0000 0.0000 51957.1611 -109045.2640 298.5985 -161002.4251 -108686.0225 299.8535 -136.2488 -106.2840 762555.9917 16.7058 16.6231 PRESSURE: 4989600 -37.2949 -149.83 71.6906 -149.829 -223.203 82.5742 71.6908 82.5746 -166.687 GPRESSURE: 4989600 -32.4605 -201.745 163.507 -153.529 -190.704 69.5044 42.786 174.754 -125.827 PRESSAVG: 4989600 10.7871 31.1824 -4.02883 31.1824 -1.65349 8.93549 -4.0289 8.93546 -9.22035 GPRESSAVG: 4989600 9.46132 30.8972 -4.85531 31.9207 -1.3587 8.77273 -3.10894 9.04372 -8.31542 TIMING: 4989600 CPU: 15577.4, 0.00309886/step Wall: 15577.4, 0.00309886/step, 0.00895225 hours remaining, 234.386719 MB of memory in use. ENERGY: 4989600 3987.7877 20560.9869 14414.6782 250.6108 -203003.9245 2630.4609 0.0000 0.0000 52344.5156 -108814.8845 300.8247 -161159.4001 -108448.8037 300.4129 -142.3949 -116.3305 762713.1907 -0.0289 -0.0709 PRESSURE: 4989800 44.1021 -12.2741 -229.078 -12.2744 -61.1023 94.0249 -229.079 94.0252 531.255 GPRESSURE: 4989800 38.2918 124.301 -300.878 -59.7684 -3.57907 74.7806 -143.239 104.17 543.865 PRESSAVG: 4989800 -4.975 8.50171 -2.68488 8.50164 -14.2577 5.9978 -2.68489 5.99778 -19.0986 GPRESSAVG: 4989800 -2.74743 7.9813 -1.56115 7.95773 -15.9431 7.45817 -1.84864 3.39677 -20.3569 TIMING: 4989800 CPU: 15578.1, 0.00309309/step Wall: 15578.1, 0.00309309/step, 0.00876376 hours remaining, 234.386719 MB of memory in use. ENERGY: 4989800 3939.4371 20582.1999 14383.3315 237.1798 -203171.2269 2774.8822 0.0000 0.0000 52550.1355 -108704.0608 302.0064 -161254.1963 -108331.5920 300.3568 171.4183 192.8593 764452.9170 -12.7771 -13.0158 PRESSURE: 4990000 105.438 -61.8509 119.867 -61.8504 320.358 -154.101 119.867 -154.101 401.132 GPRESSURE: 4990000 128.176 45.9175 172.204 -84.7767 332.261 -226.093 136.67 -47.5284 446.319 PRESSAVG: 4990000 4.47222 62.9131 3.26152 62.913 -13.1386 2.1452 3.26148 2.1452 12.2403 GPRESSAVG: 4990000 2.96166 63.8866 3.02351 63.0893 -12.4343 0.685854 1.27905 3.82086 13.1602 TIMING: 4990000 CPU: 15578.7, 0.00312372/step Wall: 15578.7, 0.00312372/step, 0.008677 hours remaining, 234.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4990000 3977.9821 20655.8013 14349.3888 249.8577 -202439.7325 2369.9830 0.0000 0.0000 52261.9129 -108574.8066 300.3499 -160836.7195 -108222.3586 300.8558 275.6429 302.2521 763103.5322 1.1913 1.2292 PRESSURE: 4990200 -284.171 38.3704 108.556 38.37 -189.013 53.4333 108.555 53.4333 -7.84786 GPRESSURE: 4990200 -248.202 180.366 85.8219 11.0371 -74.9219 97.3375 174.269 -50.2601 -63.5745 PRESSAVG: 4990200 -2.5593 29.5293 -3.2462 29.5292 16.2701 1.16448 -3.24628 1.16445 -5.10086 GPRESSAVG: 4990200 -2.1615 28.5422 -4.32198 31.5943 15.9397 1.84719 0.957204 2.43717 -5.37551 TIMING: 4990200 CPU: 15579.3, 0.00311861/step Wall: 15579.3, 0.00311861/step, 0.00848956 hours remaining, 234.386719 MB of memory in use. ENERGY: 4990200 4029.5680 20697.1435 14361.9521 243.1464 -202676.0747 2359.7280 0.0000 0.0000 52328.1203 -108656.4165 300.7304 -160984.5368 -108305.9287 301.1648 -160.3439 -128.8995 762568.6040 2.8700 2.8009 PRESSURE: 4990400 -49.7039 -27.7098 79.4695 -27.7098 -277.213 94.4732 79.4687 94.4735 65.9777 GPRESSURE: 4990400 -16.3565 35.7251 96.8093 -123.39 -180.842 55.4991 -63.1427 172.751 27.0442 PRESSAVG: 4990400 -36.9118 29.9303 56.0457 29.9302 47.5432 25.9468 56.0456 25.9467 -7.64795 GPRESSAVG: 4990400 -38.2375 31.9061 57.5058 27.5514 48.295 27.5777 51.9319 25.2322 -7.39175 TIMING: 4990400 CPU: 15579.9, 0.00312408/step Wall: 15579.9, 0.00312408/step, 0.00833088 hours remaining, 234.386719 MB of memory in use. ENERGY: 4990400 4058.9684 20575.4262 14468.4706 255.1166 -203167.7151 2569.2988 0.0000 0.0000 52349.8697 -108890.5648 300.8554 -161240.4345 -108521.0498 300.7875 -86.9797 -56.7180 761072.4006 0.9945 0.8886 PRESSURE: 4990600 239.26 -13.1269 -117.343 -13.1274 -66.7137 -93.1822 -117.343 -93.183 146.723 GPRESSURE: 4990600 214.403 -53.6963 -126.052 2.70522 114.876 -90.7553 -93.1054 52.2731 89.563 PRESSAVG: 4990600 -12.4727 -6.10894 -33.0123 -6.10895 25.9297 3.87173 -33.0123 3.87177 -14.1377 GPRESSAVG: 4990600 -11.6907 -5.47519 -32.6745 -5.9516 26.0717 3.60504 -33.8895 4.29304 -14.5148 TIMING: 4990600 CPU: 15580.6, 0.0031029/step Wall: 15580.6, 0.0031029/step, 0.00810202 hours remaining, 234.386719 MB of memory in use. ENERGY: 4990600 4054.3211 20785.3759 14444.3287 231.7890 -203459.9981 2750.4093 0.0000 0.0000 52163.9052 -109029.8688 299.7867 -161193.7740 -108676.2518 300.5103 106.4234 139.6140 762219.7672 -0.2269 -0.0446 PRESSURE: 4990800 115.169 251.59 124.111 251.589 10.8779 238.944 124.111 238.945 -170.674 GPRESSURE: 4990800 111.383 144.392 127.828 206.066 27.794 160.221 90.793 101.696 -100.418 PRESSAVG: 4990800 -13.7331 10.6474 10.0326 10.6475 -13.5764 -15.2095 10.0326 -15.2095 1.77915 GPRESSAVG: 4990800 -15.2906 9.63801 9.79849 8.97053 -13.5118 -16.3829 14.2667 -16.6066 3.56805 TIMING: 4990800 CPU: 15581.2, 0.00309438/step Wall: 15581.2, 0.00309438/step, 0.00790786 hours remaining, 234.386719 MB of memory in use. ENERGY: 4990800 4009.3909 20727.7817 14453.5134 236.5876 -203292.9475 2734.7368 0.0000 0.0000 52134.6947 -108996.2424 299.6188 -161130.9371 -108647.9461 299.9395 -14.8758 12.9197 761082.4013 -8.5101 -8.4115 PRESSURE: 4991000 -441.972 -52.8485 145.365 -52.8481 242.425 193.402 145.365 193.403 54.347 GPRESSURE: 4991000 -335.159 -12.3935 52.7723 -97.6685 199.767 207.093 202.001 65.151 60.8723 PRESSAVG: 4991000 -15.1293 90.3158 2.08274 90.3158 23.5995 -8.08191 2.08272 -8.08201 19.1419 GPRESSAVG: 4991000 -14.4493 90.5667 2.36549 92.5668 23.2554 -8.94725 -1.24251 -6.56038 17.9061 TIMING: 4991000 CPU: 15581.8, 0.00309619/step Wall: 15581.8, 0.00309619/step, 0.00774048 hours remaining, 234.386719 MB of memory in use. ENERGY: 4991000 3996.2267 20732.2743 14492.0529 224.8857 -202767.3186 2342.9370 0.0000 0.0000 52055.5393 -108923.4027 299.1639 -160978.9420 -108563.8785 300.2049 -48.4002 -24.8400 762135.9972 9.2040 8.9040 PRESSURE: 4991200 -295.763 234.66 -154.839 234.659 -203.905 -13.8461 -154.839 -13.8462 15.8637 GPRESSURE: 4991200 -275.804 191.364 -99.8353 189.71 -130.943 -22.8416 -94.1944 -59.0622 14.5728 PRESSAVG: 4991200 23.4652 25.8255 -7.70609 25.8255 -8.08612 -54.22 -7.70601 -54.22 -16.7638 GPRESSAVG: 4991200 24.3962 26.1467 -8.01528 23.0066 -9.78862 -53.4812 -6.57126 -54.5682 -16.5425 TIMING: 4991200 CPU: 15582.4, 0.00309188/step Wall: 15582.4, 0.00309188/step, 0.00755792 hours remaining, 234.386719 MB of memory in use. ENERGY: 4991200 4046.9256 20622.5678 14470.1197 258.9052 -202880.4337 2359.5978 0.0000 0.0000 52269.6272 -108852.6904 300.3943 -161122.3175 -108495.8312 300.2082 -161.2682 -130.7247 762219.5337 -0.4616 -0.6450 PRESSURE: 4991400 -146.043 -163.128 154.569 -163.129 -114.959 71.0801 154.568 71.0794 344.778 GPRESSURE: 4991400 -59.9293 -78.7213 118.135 -112.605 -36.2016 3.33667 78.0093 62.8084 272.462 PRESSAVG: 4991400 84.796 31.017 -6.29363 31.0169 -58.7379 -30.779 -6.29364 -30.779 -11.7373 GPRESSAVG: 4991400 84.498 28.3966 -6.35051 33.9674 -57.337 -30.7239 -7.36797 -32.6528 -12.8378 TIMING: 4991400 CPU: 15583, 0.00310747/step Wall: 15583, 0.00310747/step, 0.00742339 hours remaining, 234.386719 MB of memory in use. ENERGY: 4991400 4026.9060 20582.3354 14415.1292 256.4070 -203065.8222 2721.4373 0.0000 0.0000 52115.3249 -108948.2823 299.5075 -161063.6072 -108592.3629 300.3113 27.9253 58.7770 762059.8683 4.7736 4.7744 PRESSURE: 4991600 -66.9988 66.4193 317.814 66.4185 327.274 -108.091 317.813 -108.091 257.122 GPRESSURE: 4991600 -51.7392 166.106 283.343 114.578 341.293 -136.552 317.188 -130.701 325.413 PRESSAVG: 4991600 5.18855 12.6023 -15.3997 12.6023 -67.7172 -27.1615 -15.3996 -27.1615 -2.29956 GPRESSAVG: 4991600 3.76612 14.044 -14.2812 13.8958 -67.9426 -27.3897 -13.6846 -25.1484 -0.628328 TIMING: 4991600 CPU: 15583.7, 0.00309642/step Wall: 15583.7, 0.00309642/step, 0.00722497 hours remaining, 234.386719 MB of memory in use. ENERGY: 4991600 4005.3215 20604.6740 14473.4718 239.2226 -203163.6105 2633.7273 0.0000 0.0000 52362.6860 -108844.5072 300.9291 -161207.1932 -108476.5481 300.2253 172.4657 204.9888 760787.6415 -21.6094 -21.6016 PRESSURE: 4991800 87.1201 -154.566 -35.135 -154.566 -21.0935 -40.2888 -35.1353 -40.2891 46.8429 GPRESSURE: 4991800 92.1532 -65.0738 -43.2226 -179.245 7.83362 -57.5967 -69.0617 -61.7001 83.553 PRESSAVG: 4991800 -30.1249 -10.3498 -15.3862 -10.3498 8.75751 -45.4385 -15.3862 -45.4384 9.27689 GPRESSAVG: 4991800 -29.0308 -9.69242 -15.2774 -14.2012 8.76317 -47.3514 -17.0027 -46.0141 7.91568 TIMING: 4991800 CPU: 15584.3, 0.00307941/step Wall: 15584.3, 0.00307941/step, 0.00701422 hours remaining, 234.386719 MB of memory in use. ENERGY: 4991800 3894.1765 20690.5610 14477.1668 245.6996 -202917.7601 2446.5118 0.0000 0.0000 52120.2225 -109043.4219 299.5356 -161163.6444 -108678.0986 300.2472 37.6232 61.1799 762225.5745 -4.0302 -4.1173 PRESSURE: 4992000 -25.8181 -0.212981 -202.181 -0.212985 -21.6118 200.936 -202.181 200.937 -331.099 GPRESSURE: 4992000 -35.1175 -33.2108 -254.924 13.0697 -81.3855 247.931 -64.0888 340.726 -161.455 PRESSAVG: 4992000 -13.1129 21.7242 5.50713 21.7242 38.186 33.5802 5.50707 33.5803 9.29129 GPRESSAVG: 4992000 -13.4352 22.9654 3.78581 23.1315 37.768 35.0375 6.67748 34.6675 10.1489 TIMING: 4992000 CPU: 15584.9, 0.00308699/step Wall: 15584.9, 0.00308699/step, 0.00685998 hours remaining, 234.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4992000 4035.4011 20533.0172 14462.5031 243.9355 -203220.9855 2565.0748 0.0000 0.0000 52178.9969 -109202.0569 299.8734 -161381.0538 -108844.4465 300.7441 -126.1765 -92.6525 761263.8479 11.4548 11.4939 PRESSURE: 4992200 291.846 35.4013 80.8076 35.4006 227.282 53.1665 80.8085 53.167 -169.819 GPRESSURE: 4992200 256.792 -7.64337 51.7041 47.3761 259.451 45.874 177.525 26.4642 -81.9788 PRESSAVG: 4992200 6.98026 8.78389 -19.605 8.78393 1.9698 -2.1684 -19.605 -2.16837 8.10922 GPRESSAVG: 4992200 6.57845 7.02391 -20.3368 10.627 2.3911 -1.74633 -18.4336 -3.96915 8.27851 TIMING: 4992200 CPU: 15585.5, 0.00310499/step Wall: 15585.5, 0.00310499/step, 0.00672748 hours remaining, 234.386719 MB of memory in use. ENERGY: 4992200 3984.3054 20317.5167 14503.3207 257.4069 -203278.1751 2912.8776 0.0000 0.0000 51840.3251 -109462.4227 297.9271 -161302.7479 -109097.0195 299.6994 116.4366 144.7549 761084.3937 5.6864 5.7494 LDB: ============= START OF LOAD BALANCING ============== 15598 LDB: ============== END OF LOAD BALANCING =============== 15598 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15598 LDB: ============= START OF LOAD BALANCING ============== 15598.3 LDB: Largest compute 7070 load 0.031772 is 16.3% of average load 0.195338 LDB: Average compute 0.004392 is 2.2% of average load 0.195338 LDB: TIME 15598.3 LOAD: AVG 0.195338 MAX 0.212882 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.262 MB LDB: TIME 15598.3 LOAD: AVG 0.195338 MAX 0.212882 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.262 MB LDB: TIME 15598.3 LOAD: AVG 0.195338 MAX 0.212882 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.262 MB LDB: ============== END OF LOAD BALANCING =============== 15598.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15598.3 PRESSURE: 4992400 166.944 61.248 145.691 61.2481 432.019 75.6926 145.691 75.6923 435.981 GPRESSURE: 4992400 262.722 78.8929 135.581 31.6324 385.539 77.0014 150.029 7.11465 465.825 PRESSAVG: 4992400 2.58877 21.5803 0.847189 21.5802 18.5524 -28.5399 0.847207 -28.5399 22.2199 GPRESSAVG: 4992400 4.26599 21.5472 0.617995 20.471 18.7067 -28.3497 -1.65021 -28.2366 20.0975 TIMING: 4992400 CPU: 15586.1, 0.00315192/step Wall: 15586.1, 0.00315192/step, 0.00665405 hours remaining, 235.542969 MB of memory in use. ENERGY: 4992400 3958.9045 20349.5787 14404.5857 251.4502 -203355.9724 2803.1726 0.0000 0.0000 52069.5214 -109518.7592 299.2443 -161588.2806 -109155.5120 299.0683 344.9816 371.3621 760938.5904 14.4537 14.3568 PRESSURE: 4992600 -182.388 14.2722 -41.601 14.2721 -94.5167 -23.444 -41.6018 -23.4445 -18.1529 GPRESSURE: 4992600 -148.099 119.674 -13.6769 -39.2746 -52.7588 102.674 17.5991 -3.37025 -13.1446 PRESSAVG: 4992600 -68.9875 53.15 0.401651 53.1501 31.3636 0.922077 0.401622 0.922044 0.729454 GPRESSAVG: 4992600 -69.6422 55.1104 2.49207 52.9546 31.5702 1.00642 1.03349 -0.394656 1.5223 TIMING: 4992600 CPU: 15586.8, 0.00309381/step Wall: 15586.8, 0.00309381/step, 0.00635949 hours remaining, 235.800781 MB of memory in use. ENERGY: 4992600 3980.8200 20405.7520 14415.8665 243.4463 -203352.1803 2695.0956 0.0000 0.0000 52099.0021 -109512.1979 299.4137 -161611.1999 -109150.1039 298.6168 -98.3526 -71.3342 762749.5112 -12.2981 -12.1832 PRESSURE: 4992800 -347.781 65.0992 15.6727 65.1002 76.2343 15.9556 15.6738 15.9567 225.297 GPRESSURE: 4992800 -239.831 39.1208 39.5586 77.5146 85.3235 5.79066 46.393 -72.714 207.425 PRESSAVG: 4992800 -27.8156 21.9202 -48.8466 21.9201 6.93321 21.2879 -48.8466 21.2878 -3.80624 GPRESSAVG: 4992800 -27.1377 21.1918 -49.6117 22.0616 6.37161 21.7832 -47.67 21.2613 -3.76825 TIMING: 4992800 CPU: 15587.4, 0.00309644/step Wall: 15587.4, 0.00309644/step, 0.00619287 hours remaining, 235.832031 MB of memory in use. ENERGY: 4992800 4013.1413 20527.5827 14502.8438 269.6308 -203735.3925 2889.7300 0.0000 0.0000 52058.5637 -109473.9002 299.1813 -161532.4639 -109110.3570 299.1197 -15.4166 17.6392 761426.4874 -8.2295 -8.1781 PRESSURE: 4993000 -76.9196 -50.4127 84.8563 -50.4121 -57.5838 -142.462 84.8555 -142.463 -29.0215 GPRESSURE: 4993000 -8.66209 3.5995 30.7127 -66.5961 -57.5276 -110.595 112.159 -185.897 -8.45499 PRESSAVG: 4993000 -26.8738 49.1318 25.4072 49.1319 2.80372 37.2038 25.4072 37.2037 -4.25234 GPRESSAVG: 4993000 -27.6386 49.2355 25.7585 49.6941 3.01871 34.9982 24.817 39.2509 -3.42306 TIMING: 4993000 CPU: 15588, 0.00308319/step Wall: 15588, 0.00308319/step, 0.00599509 hours remaining, 235.902344 MB of memory in use. ENERGY: 4993000 4002.5478 20419.3229 14366.8187 223.0158 -203591.2143 2742.8700 0.0000 0.0000 52287.0294 -109549.6098 300.4943 -161836.6392 -109181.8848 299.1806 -54.5083 -24.8816 761514.5384 -9.4408 -9.3476 PRESSURE: 4993200 -163.811 29.3622 -135.748 29.362 -30.8647 -3.83839 -135.747 -3.83861 -287.192 GPRESSURE: 4993200 -134.274 -48.7492 -78.4501 57.1922 -83.2161 91.5303 -123.733 104.658 -181.873 PRESSAVG: 4993200 12.2962 35.4111 3.5639 35.4112 17.6603 39.4631 3.56399 39.4631 -6.44622 GPRESSAVG: 4993200 12.2017 33.3596 3.18399 34.2854 17.7157 41.4926 4.35091 38.2861 -6.58317 TIMING: 4993200 CPU: 15588.6, 0.00309026/step Wall: 15588.6, 0.00309026/step, 0.00583715 hours remaining, 235.957031 MB of memory in use. ENERGY: 4993200 3975.4955 20678.4611 14522.5502 223.9280 -203394.2826 2655.2638 0.0000 0.0000 51952.8586 -109385.7254 298.5738 -161338.5840 -109028.8020 299.3664 -160.6227 -133.1210 761411.1145 7.8367 7.7781 PRESSURE: 4993400 -209.824 -91.9834 -228.04 -91.9844 -295.148 -123.105 -228.04 -123.106 -162.898 GPRESSURE: 4993400 -232.473 77.7647 -236.315 35.0326 -224.272 -254.368 -201.438 -125.5 -134.031 PRESSAVG: 4993400 -37.8598 46.9146 -7.26665 46.9145 4.29208 -34.8797 -7.26662 -34.8798 -9.37496 GPRESSAVG: 4993400 -38.4411 48.8872 -6.29884 47.358 3.93304 -35.3227 -8.61834 -33.4724 -8.05609 TIMING: 4993400 CPU: 15589.2, 0.0030975/step Wall: 15589.2, 0.0030975/step, 0.00567875 hours remaining, 235.957031 MB of memory in use. ENERGY: 4993400 3943.3460 20517.4870 14459.6572 244.1823 -203166.5826 2439.5080 0.0000 0.0000 52165.1963 -109397.2058 299.7941 -161562.4021 -109038.0510 299.3215 -222.6235 -196.9252 762106.5837 -14.3142 -14.1880 PRESSURE: 4993600 -28.2383 -288.155 23.2613 -288.155 8.48204 377.849 23.2614 377.85 83.0245 GPRESSURE: 4993600 15.2839 -303.443 -77.0035 -169.569 98.7762 416.203 11.7716 163.404 57.9919 PRESSAVG: 4993600 38.8 19.5349 44.7214 19.5349 4.34019 11.057 44.7215 11.057 15.165 GPRESSAVG: 4993600 40.6561 18.5193 43.4443 22.3726 3.92071 10.3124 46.6472 9.15523 13.9447 TIMING: 4993600 CPU: 15589.9, 0.00309191/step Wall: 15589.9, 0.00309191/step, 0.00549672 hours remaining, 235.957031 MB of memory in use. ENERGY: 4993600 3936.2372 20483.5557 14426.4323 270.3660 -203302.8943 2493.3987 0.0000 0.0000 52087.7799 -109605.1245 299.3492 -161692.9043 -109245.9399 299.1642 21.0894 57.3507 760839.0040 19.4351 19.5072 PRESSURE: 4993800 149.288 186.661 -40.1612 186.662 -433.496 -319.759 -40.1609 -319.759 -113.445 GPRESSURE: 4993800 76.6496 109.3 44.7577 2.2287 -289.782 -321.531 101.141 -248.457 -100.724 PRESSAVG: 4993800 72.4559 -17.0132 32.4288 -17.0133 -53.6351 18.9557 32.4288 18.9558 2.00278 GPRESSAVG: 4993800 71.2938 -18.0119 33.5227 -19.0372 -53.4317 17.9988 31.8124 20.1821 2.22739 TIMING: 4993800 CPU: 15590.5, 0.00311679/step Wall: 15590.5, 0.00311679/step, 0.00536781 hours remaining, 236.093750 MB of memory in use. ENERGY: 4993800 4046.4652 20359.8358 14433.0820 263.0153 -203383.6274 2562.3091 0.0000 0.0000 52150.7438 -109568.1762 299.7110 -161718.9200 -109199.6477 298.5396 -132.5509 -104.6188 761597.8494 6.9412 6.6965 PRESSURE: 4994000 -260.293 -190.922 -84.2876 -190.922 -166.621 -47.0393 -84.2886 -47.0401 -79.0946 GPRESSURE: 4994000 -169.137 -108.13 -124.783 -309.851 -137.264 -152.233 -37.1599 -55.7667 -114.889 PRESSAVG: 4994000 17.2661 49.8879 1.38702 49.888 -35.8973 3.53281 1.38699 3.53281 -8.18257 GPRESSAVG: 4994000 17.5129 49.6735 0.256799 48.7016 -36.2111 5.85942 1.0214 4.04687 -8.5816 TIMING: 4994000 CPU: 15591.1, 0.00309936/step Wall: 15591.1, 0.00309936/step, 0.0051656 hours remaining, 236.093750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4994000 3974.1486 20558.9260 14427.9443 235.4719 -203347.8225 2392.0035 0.0000 0.0000 52176.8322 -109582.4960 299.8610 -161759.3282 -109213.0763 299.0034 -168.6694 -140.4296 761589.1766 -8.9379 -9.0933 PRESSURE: 4994200 -80.5522 40.7474 -56.521 40.7468 25.6845 83.7587 -56.5208 83.7582 -260.849 GPRESSURE: 4994200 -34.2728 -6.32259 44.6634 -53.9933 -7.00956 101.539 -158.481 62.4992 -182.765 PRESSAVG: 4994200 -25.3459 -13.5385 28.5986 -13.5385 2.89531 -12.0973 28.5985 -12.0973 -19.7481 GPRESSAVG: 4994200 -26.9424 -13.2728 28.5485 -12.4476 3.49561 -12.7578 28.766 -12.9834 -19.0833 TIMING: 4994200 CPU: 15591.7, 0.00309131/step Wall: 15591.7, 0.00309131/step, 0.00498044 hours remaining, 236.093750 MB of memory in use. ENERGY: 4994200 3983.3395 20551.1141 14524.7013 252.1089 -203338.5168 2716.5326 0.0000 0.0000 52012.5779 -109298.1424 298.9170 -161310.7204 -108930.9506 299.2717 -105.2390 -74.6825 762616.1386 -14.0662 -14.1767 PRESSURE: 4994400 -26.1135 -36.3339 34.3465 -36.3346 -47.5326 -67.4773 34.3459 -67.4791 73.237 GPRESSURE: 4994400 16.9445 101.559 46.2026 37.8003 -59.7377 41.3881 1.35291 -112.145 120.599 PRESSAVG: 4994400 33.9784 18.0797 12.2854 18.0796 11.5077 -50.9149 12.2854 -50.915 0.705897 GPRESSAVG: 4994400 34.4094 18.8488 12.6005 16.4396 10.6312 -52.3303 11.2882 -50.5127 1.00611 TIMING: 4994400 CPU: 15592.3, 0.00308435/step Wall: 15592.3, 0.00308435/step, 0.00479787 hours remaining, 236.093750 MB of memory in use. ENERGY: 4994400 3944.8100 20493.8921 14418.8000 251.8689 -203386.0568 2610.8211 0.0000 0.0000 52228.6570 -109437.2077 300.1588 -161665.8647 -109074.9321 299.5666 -0.1364 25.9351 760015.4023 15.3973 15.3489 PRESSURE: 4994600 -95.0861 22.2384 -285.878 22.2383 253.237 -80.017 -285.878 -80.0178 173.528 GPRESSURE: 4994600 -44.1864 38.803 -257.634 45.3951 200.094 -76.0159 -170.757 -133.936 250.389 PRESSAVG: 4994600 -0.318881 -11.1469 40.0774 -11.1469 35.0113 -59.1721 40.0774 -59.1722 -13.2792 GPRESSAVG: 4994600 -0.0253901 -9.73994 41.622 -12.4398 34.9579 -60.52 40.4636 -58.5842 -14.0636 TIMING: 4994600 CPU: 15592.9, 0.00308518/step Wall: 15592.9, 0.00308518/step, 0.00462777 hours remaining, 236.093750 MB of memory in use. ENERGY: 4994600 3952.8049 20592.3679 14526.7611 242.7887 -203367.9008 2574.6037 0.0000 0.0000 51929.8187 -109548.7558 298.4414 -161478.5745 -109186.2685 299.2470 110.5595 135.4323 761003.0557 7.1377 6.9563 PRESSURE: 4994800 45.2225 253.279 116.766 253.278 -386.564 98.2859 116.766 98.2851 -33.2784 GPRESSURE: 4994800 162.015 346.701 100.742 200.921 -359.648 32.5668 173.87 56.6003 -106.324 PRESSAVG: 4994800 13.6916 13.4167 28.1715 13.4167 0.87238 -58.6559 28.1714 -58.6559 -14.4735 GPRESSAVG: 4994800 14.7808 9.36916 27.367 16.6488 0.267582 -57.1158 29.5478 -60.34 -15.1298 TIMING: 4994800 CPU: 15593.6, 0.00308912/step Wall: 15593.6, 0.00308912/step, 0.00446206 hours remaining, 236.093750 MB of memory in use. ENERGY: 4994800 3947.6946 20497.5235 14478.3367 256.1776 -203185.6499 2282.3034 0.0000 0.0000 52031.1167 -109692.4975 299.0235 -161723.6141 -109322.0360 299.1377 -124.8731 -101.3193 762242.9170 0.0301 -0.0271 PRESSURE: 4995000 -322.586 174.147 38.7674 174.146 -93.7872 -7.5554 38.7673 -7.55551 314.145 GPRESSURE: 4995000 -320.457 126.534 71.7594 178.525 -119.581 57.691 -61.7621 61.2987 436.227 PRESSAVG: 4995000 14.5625 86.2117 2.14333 86.2117 -28.9332 -40.5874 2.14322 -40.5873 18.3884 GPRESSAVG: 4995000 13.5638 86.8344 1.82495 85.4747 -28.5163 -38.7799 2.38031 -40.4594 18.9729 TIMING: 4995000 CPU: 15594.2, 0.0030986/step Wall: 15594.2, 0.0030986/step, 0.00430362 hours remaining, 236.093750 MB of memory in use. ENERGY: 4995000 3917.0009 20484.6134 14431.0484 234.9659 -203323.6099 2374.0253 0.0000 0.0000 52003.2283 -109878.7277 298.8633 -161881.9560 -109519.1117 298.2998 -34.0762 -1.2706 761035.9363 1.3392 1.3401 PRESSURE: 4995200 277.908 53.0588 -206.85 53.059 99.496 105.542 -206.851 105.542 48.3492 GPRESSURE: 4995200 300.621 99.5948 -167.228 35.8677 111.484 43.9344 -137.703 35.1659 100.053 PRESSAVG: 4995200 -24.1529 6.13385 -11.0029 6.13386 51.4471 5.5944 -11.0029 5.59439 11.452 GPRESSAVG: 4995200 -24.5377 6.21781 -11.2493 6.59007 51.168 4.64921 -10.5166 7.59541 11.4982 TIMING: 4995200 CPU: 15594.8, 0.00309704/step Wall: 15594.8, 0.00309704/step, 0.00412939 hours remaining, 236.093750 MB of memory in use. ENERGY: 4995200 3917.3243 20546.4162 14437.9920 249.4174 -203671.7339 2733.3843 0.0000 0.0000 51899.5405 -109887.6592 298.2674 -161787.1997 -109524.9452 298.4485 141.9179 170.7193 760981.5252 12.9154 12.7095 PRESSURE: 4995400 212.139 53.1922 30.8848 53.1916 208.048 47.7225 30.8844 47.7226 -392.009 GPRESSURE: 4995400 220.055 77.233 98.3669 83.3357 257.075 23.6013 85.9156 5.18059 -349.898 PRESSAVG: 4995400 -40.5933 8.38421 16.6706 8.38428 52.6041 8.61244 16.6707 8.61245 -20.4686 GPRESSAVG: 4995400 -41.3047 10.9443 16.7597 7.00652 53.849 8.55986 16.7233 5.52252 -21.0937 TIMING: 4995400 CPU: 15595.4, 0.00308925/step Wall: 15595.4, 0.00308925/step, 0.00394737 hours remaining, 236.093750 MB of memory in use. ENERGY: 4995400 4025.2265 20477.4646 14428.1175 275.1039 -203828.2015 2917.8798 0.0000 0.0000 52046.0625 -109658.3468 299.1094 -161704.4092 -109298.3147 299.3173 9.3926 42.4107 761240.7473 -2.8193 -2.8498 PRESSURE: 4995600 -286.825 -128.037 -189.771 -128.038 68.0123 -260.144 -189.769 -260.143 -49.648 GPRESSURE: 4995600 -160.61 -40.791 -285.787 -2.19911 17.7202 -269.997 -187.021 -252.904 -63.6975 PRESSAVG: 4995600 -15.8893 -17.7531 -47.321 -17.7531 33.4056 -15.0062 -47.3209 -15.0063 16.4201 GPRESSAVG: 4995600 -15.3722 -19.0382 -47.7802 -14.52 31.8618 -15.2088 -46.6045 -14.4021 17.2156 TIMING: 4995600 CPU: 15596, 0.00309526/step Wall: 15596, 0.00309526/step, 0.0037831 hours remaining, 236.093750 MB of memory in use. ENERGY: 4995600 3980.0025 20560.6310 14479.0626 229.2053 -203320.8169 2503.4599 0.0000 0.0000 52006.3566 -109562.0989 298.8812 -161568.4555 -109200.6963 299.1611 -89.4870 -68.8625 760848.3899 11.3121 11.2351 PRESSURE: 4995800 -23.7429 -156.946 67.8581 -156.946 -172.921 -235.016 67.8583 -235.015 320.075 GPRESSURE: 4995800 -14.2411 -120.368 27.5648 -168.515 -148.785 -171.406 104.365 -217.769 349.234 PRESSAVG: 4995800 46.3832 -33.1355 -45.1872 -33.1354 -3.55071 18.9072 -45.1871 18.9072 9.2802 GPRESSAVG: 4995800 45.289 -31.6866 -43.3636 -36.0442 -2.57081 19.3228 -47.6526 20.3423 8.98111 TIMING: 4995800 CPU: 15596.7, 0.00309285/step Wall: 15596.7, 0.00309285/step, 0.00360833 hours remaining, 236.093750 MB of memory in use. ENERGY: 4995800 4015.0761 20639.7018 14419.8990 256.0717 -203640.9581 2708.7098 0.0000 0.0000 51968.4310 -109633.0685 298.6633 -161601.4996 -109269.3602 299.1407 41.1367 62.0695 760144.5138 17.3709 17.2331 PRESSURE: 4996000 88.7705 -100.433 -48.4625 -100.434 -78.9093 -249.466 -48.4624 -249.466 -28.0775 GPRESSURE: 4996000 96.4733 -83.1405 -36.2603 -281.823 -0.158978 -208.502 -106.139 -168.933 -7.55658 PRESSAVG: 4996000 -29.0487 -58.663 -6.17504 -58.663 21.5337 21.8392 -6.17508 21.8392 18.3763 GPRESSAVG: 4996000 -27.5659 -58.2556 -7.89587 -58.0335 21.3562 21.6829 -7.32776 22.0554 17.5531 TIMING: 4996000 CPU: 15597.3, 0.00310557/step Wall: 15597.3, 0.00310557/step, 0.00345064 hours remaining, 236.093750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4996000 4065.3147 20457.4439 14433.8523 245.4649 -203897.6800 2958.1956 0.0000 0.0000 52056.0549 -109681.3536 299.1669 -161737.4085 -109318.5716 298.6729 -6.0721 29.5859 762362.9201 3.6204 3.7811 PRESSURE: 4996200 -167.532 285.62 159.995 285.62 -115.63 73.0274 159.995 73.0271 -242.756 GPRESSURE: 4996200 -172.719 178.124 163.089 163.715 -54.1738 85.2394 188.58 59.5644 -196.16 PRESSAVG: 4996200 -2.63184 -40.9998 24.5348 -40.9999 36.4903 -7.61151 24.5348 -7.61143 11.3083 GPRESSAVG: 4996200 -3.21368 -42.9994 26.2115 -41.0805 36.955 -8.21107 25.8303 -6.92257 11.5777 TIMING: 4996200 CPU: 15597.9, 0.00309754/step Wall: 15597.9, 0.00309754/step, 0.00326963 hours remaining, 236.093750 MB of memory in use. ENERGY: 4996200 4009.3271 20496.6674 14405.3641 250.2499 -203538.2207 2778.0750 0.0000 0.0000 51922.3903 -109676.1469 298.3987 -161598.5372 -109314.7306 298.4151 -175.3059 -141.0176 762156.5974 15.0556 15.1064 LDB: ============= START OF LOAD BALANCING ============== 15610.4 LDB: ============== END OF LOAD BALANCING =============== 15610.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15610.4 LDB: ============= START OF LOAD BALANCING ============== 15610.7 LDB: Largest compute 7028 load 0.031018 is 15.9% of average load 0.195370 LDB: Average compute 0.004413 is 2.3% of average load 0.195370 LDB: TIME 15610.7 LOAD: AVG 0.19537 MAX 0.214696 PROXIES: TOTAL 1222 MAXPE 13 MAXPATCH 8 None MEM: 234.059 MB LDB: TIME 15610.7 LOAD: AVG 0.19537 MAX 0.214696 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.266 MB LDB: TIME 15610.7 LOAD: AVG 0.19537 MAX 0.214696 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.266 MB LDB: ============== END OF LOAD BALANCING =============== 15610.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15610.7 PRESSURE: 4996400 -245.417 322.858 -33.7666 322.859 239.122 34.3072 -33.7664 34.3076 -494.245 GPRESSURE: 4996400 -96.5047 166.819 -70.5211 411.933 147.549 13.9037 -120.711 -0.106154 -488.351 PRESSAVG: 4996400 -10.0592 61.2807 -1.70387 61.2807 -16.8807 -21.5236 -1.70391 -21.5235 9.40999 GPRESSAVG: 4996400 -10.3378 60.7202 -4.50051 62.0818 -17.5538 -21.431 -1.65455 -22.8332 10.204 TIMING: 4996400 CPU: 15598.5, 0.00316889/step Wall: 15598.5, 0.00316889/step, 0.00316889 hours remaining, 234.511719 MB of memory in use. ENERGY: 4996400 4021.8435 20437.4510 14423.1687 247.7022 -203211.7538 2532.0111 0.0000 0.0000 52028.3549 -109521.2224 299.0077 -161549.5773 -109145.8623 298.1242 -166.8470 -145.7691 762119.1410 -5.8433 -5.8959 PRESSURE: 4996600 165.977 138.851 8.53933 138.85 -209.688 -17.3829 8.53835 -17.3824 72.2964 GPRESSURE: 4996600 168.44 46.7282 -67.7055 25.674 -103.37 -14.3061 98.4047 50.1767 61.5377 PRESSAVG: 4996600 -13.8534 -3.16166 -45.3352 -3.16176 -57.9855 -90.005 -45.3352 -90.0052 16.6246 GPRESSAVG: 4996600 -12.4525 -3.92054 -43.2829 -2.8931 -57.2965 -89.6095 -46.3309 -89.0644 15.5597 TIMING: 4996600 CPU: 15599.2, 0.00308884/step Wall: 15599.2, 0.00308884/step, 0.00291724 hours remaining, 234.648438 MB of memory in use. ENERGY: 4996600 3987.4851 20468.5257 14392.7251 244.1515 -203492.7329 2797.7809 0.0000 0.0000 52148.8111 -109453.2535 299.6999 -161602.0646 -109089.4176 298.4259 9.5286 42.2024 763622.7311 -18.4048 -18.0631 PRESSURE: 4996800 66.1052 209.33 323.61 209.331 311.127 -83.9901 323.61 -83.9899 63.8281 GPRESSURE: 4996800 51.765 166.593 371.387 161.144 347.296 -137.696 368.642 -19.452 131.682 PRESSAVG: 4996800 6.96804 5.48541 -16.4 5.48539 54.3678 -37.8101 -16.4 -37.8101 15.0608 GPRESSAVG: 4996800 6.23235 6.46199 -17.7572 4.17246 53.4186 -37.7871 -15.0467 -36.4716 16.3245 TIMING: 4996800 CPU: 15599.8, 0.00310053/step Wall: 15599.8, 0.00310053/step, 0.00275603 hours remaining, 234.648438 MB of memory in use. ENERGY: 4996800 3994.5192 20561.2865 14401.6772 246.8813 -203673.7809 2966.3588 0.0000 0.0000 52014.2347 -109488.8232 298.9265 -161503.0579 -109133.3586 298.9241 147.0202 176.9145 761347.7841 25.4656 25.3251 PRESSURE: 4997000 -415.803 83.2664 111.671 83.2662 -146.832 -26.1406 111.672 -26.1403 -132.109 GPRESSURE: 4997000 -234.157 66.2625 142.531 57.9153 -181.512 -1.39118 118.544 -11.6389 -191.999 PRESSAVG: 4997000 0.463467 78.0681 -32.8352 78.0681 15.0863 -6.86936 -32.8352 -6.86928 -17.7001 GPRESSAVG: 4997000 -0.362926 77.5452 -30.3132 80.4737 16.4064 -7.13218 -33.9882 -9.40228 -18.4713 TIMING: 4997000 CPU: 15600.4, 0.00312002/step Wall: 15600.4, 0.00312002/step, 0.00260002 hours remaining, 234.648438 MB of memory in use. ENERGY: 4997000 4022.2897 20437.7711 14505.8533 251.7917 -203316.8651 2444.4742 0.0000 0.0000 51867.5597 -109787.1254 298.0836 -161654.6851 -109421.1084 298.7478 -231.5811 -202.5558 761172.6380 -0.7168 -0.8093 PRESSURE: 4997200 43.9571 -4.24479 21.71 -4.245 -41.2236 319.326 21.7104 319.326 -138.652 GPRESSURE: 4997200 67.5287 -47.0945 -0.151851 27.7636 -32.4665 310.983 -47.035 305.232 -91.0676 PRESSAVG: 4997200 13.3584 41.6482 -32.9026 41.6481 -0.714195 18.8224 -32.9025 18.8224 10.7399 GPRESSAVG: 4997200 13.9389 42.6504 -36.1972 40.8538 -1.6933 18.1514 -30.3981 20.4102 10.7738 TIMING: 4997200 CPU: 15601, 0.00310585/step Wall: 15601, 0.00310585/step, 0.00241566 hours remaining, 234.648438 MB of memory in use. ENERGY: 4997200 3936.2179 20593.3472 14486.1895 256.5231 -203648.4816 2813.0027 0.0000 0.0000 51815.5078 -109747.6935 297.7844 -161563.2013 -109398.3059 298.5871 -45.3062 -18.6685 761711.2481 7.7947 7.6731 PRESSURE: 4997400 -452.349 372.958 -285.489 372.959 -284.201 14.8465 -285.488 14.8472 -202.015 GPRESSURE: 4997400 -427.128 297.27 -325.548 343.41 -231.119 5.70139 -165.277 41.7849 -195.774 PRESSAVG: 4997400 26.7084 36.5224 -96.3409 36.5224 -2.02487 -22.4032 -96.3408 -22.4032 -0.777831 GPRESSAVG: 4997400 27.132 35.854 -94.558 37.4464 -1.46242 -21.1493 -98.9219 -22.4801 -1.88021 TIMING: 4997400 CPU: 15601.6, 0.00311133/step Wall: 15601.6, 0.00311133/step, 0.00224707 hours remaining, 234.648438 MB of memory in use. ENERGY: 4997400 4015.2402 20642.3229 14469.9801 245.7310 -203355.1176 2507.4569 0.0000 0.0000 51867.5333 -109606.8532 298.0834 -161474.3865 -109258.3579 298.1416 -312.8549 -284.6739 761759.3963 7.9685 7.9298 PRESSURE: 4997600 -99.6985 1.09174 109.805 1.09213 4.71294 133.527 109.805 133.527 -153.858 GPRESSURE: 4997600 -123.71 96.3233 186.917 43.1893 53.2739 72.0693 22.2182 219.589 -90.3682 PRESSAVG: 4997600 -15.6884 42.9335 12.1129 42.9334 -25.3493 -48.728 12.1129 -48.728 -4.92196 GPRESSAVG: 4997600 -16.4101 44.1967 13.5286 41.6594 -26.4985 -49.1728 12.0156 -49.0525 -2.74445 TIMING: 4997600 CPU: 15602.3, 0.00308931/step Wall: 15602.3, 0.00308931/step, 0.00205954 hours remaining, 234.648438 MB of memory in use. ENERGY: 4997600 4002.1344 20522.1221 14436.9195 241.9709 -203660.7267 2865.1667 0.0000 0.0000 52193.4255 -109398.9877 299.9563 -161592.4132 -109026.7943 298.6900 -82.9478 -53.6014 761809.9227 -15.3199 -15.2177 PRESSURE: 4997800 142.915 -128.796 73.5554 -128.796 119.244 -272.33 73.5543 -272.331 230.297 GPRESSURE: 4997800 165.924 -1.9025 130.021 -106.084 183.453 -211.96 43.621 -247.422 228.681 PRESSAVG: 4997800 -2.9426 0.206216 11.4089 0.206214 9.59073 -1.57201 11.4089 -1.572 -11.8563 GPRESSAVG: 4997800 -2.32397 0.650801 11.1486 0.472474 9.45977 -3.55142 11.4759 -1.5909 -12.3352 TIMING: 4997800 CPU: 15602.9, 0.00308692/step Wall: 15602.9, 0.00308692/step, 0.00188645 hours remaining, 234.648438 MB of memory in use. ENERGY: 4997800 3974.1903 20594.3170 14414.2342 233.1578 -202988.8344 2630.7826 0.0000 0.0000 51735.9833 -109406.1691 297.3274 -161142.1524 -109050.5183 299.2617 164.1518 192.6861 763280.0544 -1.7361 -1.7331 PRESSURE: 4998000 232.345 -62.2996 247.388 -62.3001 72.2701 56.9107 247.388 56.9116 -134.367 GPRESSURE: 4998000 174.481 -24.8292 92.3913 146.949 178.877 -47.0607 173.315 161.229 -100.067 PRESSAVG: 4998000 -41.2255 51.0229 18.8661 51.0228 47.8432 -32.6556 18.8661 -32.6556 14.6024 GPRESSAVG: 4998000 -42.4914 49.7951 17.9081 49.789 49.7259 -30.8187 20.708 -31.3663 14.4339 TIMING: 4998000 CPU: 15603.5, 0.00309849/step Wall: 15603.5, 0.00309849/step, 0.00172138 hours remaining, 234.648438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4998000 4039.1207 20592.8621 14418.2370 230.0889 -203808.2946 3007.0739 0.0000 0.0000 52274.2037 -109246.7082 300.4206 -161520.9119 -108888.9130 299.5480 56.7492 84.4304 761874.4145 7.0734 7.2228 PRESSURE: 4998200 85.7811 144.19 37.5051 144.19 48.522 20.9687 37.5055 20.9684 302.308 GPRESSURE: 4998200 155.681 121.259 -34.6737 78.984 30.4354 -26.6991 -5.88549 -56.4945 336.511 PRESSAVG: 4998200 -0.630744 32.503 -54.4912 32.5031 -6.26148 11.4449 -54.4913 11.4449 18.2011 GPRESSAVG: 4998200 -0.00514985 34.4648 -55.0379 33.2126 -6.36294 9.54309 -53.4 9.75332 17.7968 TIMING: 4998200 CPU: 15604.1, 0.00309247/step Wall: 15604.1, 0.00309247/step, 0.00154624 hours remaining, 234.648438 MB of memory in use. ENERGY: 4998200 3972.6255 20421.3095 14460.9936 250.2011 -203706.0129 3030.3368 0.0000 0.0000 52265.0658 -109305.4805 300.3681 -161570.5463 -108925.7991 299.3455 145.5369 174.2094 761110.3387 3.7696 3.8096 PRESSURE: 4998400 264.724 -137.467 -142.094 -137.466 164.617 92.4247 -142.093 92.4249 66.7649 GPRESSURE: 4998400 270.995 -181.697 -21.856 -144.173 194.678 71.933 -171.157 15.877 104.822 PRESSAVG: 4998400 -35.4267 33.4867 37.3388 33.4866 -12.7474 28.3898 37.3388 28.3898 6.04995 GPRESSAVG: 4998400 -35.0519 31.3345 38.5517 30.9384 -14.7467 30.7632 35.5788 29.1164 6.82071 TIMING: 4998400 CPU: 15604.7, 0.00307788/step Wall: 15604.7, 0.00307788/step, 0.00136794 hours remaining, 234.648438 MB of memory in use. ENERGY: 4998400 4002.1765 20619.2289 14370.5382 242.2048 -203366.9589 2857.5177 0.0000 0.0000 51945.7301 -109329.5627 298.5328 -161275.2928 -108975.2710 299.3583 165.3687 190.1651 762535.9557 -14.0414 -14.3260 PRESSURE: 4998600 -46.2637 24.637 257.455 24.6364 79.4719 -61.4845 257.454 -61.4846 -115.457 GPRESSURE: 4998600 19.8799 -24.976 187.003 25.6094 73.7644 -170.91 313.995 -111.314 -76.9705 PRESSAVG: 4998600 23.4493 8.20722 -27.5928 8.20719 5.58521 -15.2447 -27.5929 -15.2448 -9.10944 GPRESSAVG: 4998600 23.006 8.8298 -28.2945 10.8119 6.52418 -15.6723 -28.4822 -15.0684 -9.86591 TIMING: 4998600 CPU: 15605.3, 0.00308837/step Wall: 15605.3, 0.00308837/step, 0.00120103 hours remaining, 234.648438 MB of memory in use. ENERGY: 4998600 4009.5604 20539.3551 14391.2632 228.1962 -203083.6095 2687.3187 0.0000 0.0000 51841.2018 -109386.7141 297.9321 -161227.9159 -109022.1904 299.4999 -27.4162 5.5580 762197.6471 6.6417 6.5548 PRESSURE: 4998800 29.8734 139.632 174.812 139.632 69.6446 262.414 174.811 262.415 -22.3066 GPRESSURE: 4998800 53.2217 200.476 118.427 92.3025 108.495 261.413 203.796 139.742 4.91489 PRESSAVG: 4998800 66.5509 -17.9752 12.3665 -17.9752 -58.3691 72.4426 12.3666 72.4426 12.508 GPRESSAVG: 4998800 67.7369 -19.5708 14.3391 -17.7681 -58.8853 72.0835 12.9304 71.6866 12.1449 TIMING: 4998800 CPU: 15606, 0.00309289/step Wall: 15606, 0.00309289/step, 0.00103096 hours remaining, 234.648438 MB of memory in use. ENERGY: 4998800 3923.2946 20518.8691 14442.2291 265.0582 -203205.3716 2511.4024 0.0000 0.0000 51999.5108 -109545.0074 298.8419 -161544.5183 -109192.0699 298.5839 25.7371 55.5439 762017.2339 6.8966 6.9989 PRESSURE: 4999000 266.279 -75.5845 37.3667 -75.5848 387.198 91.1148 37.3674 91.1152 76.6374 GPRESSURE: 4999000 339.696 -11.0511 92.938 -20.5138 413.46 96.9185 47.863 213.079 72.0694 PRESSAVG: 4999000 5.28208 -53.1557 -6.678 -53.1557 -29.0549 52.3733 -6.67796 52.3733 -8.65786 GPRESSAVG: 4999000 3.84631 -52.9387 -5.69316 -53.3062 -27.8922 51.4308 -7.18944 53.551 -8.25518 TIMING: 4999000 CPU: 15606.6, 0.00311172/step Wall: 15606.6, 0.00311172/step, 0.000864366 hours remaining, 234.648438 MB of memory in use. ENERGY: 4999000 3904.2442 20403.7050 14391.5366 259.1256 -203374.9512 2601.3993 0.0000 0.0000 52274.3028 -109540.6377 300.4211 -161814.9405 -109179.2086 298.5835 243.3714 275.0754 761583.1157 -10.8102 -10.7670 PRESSURE: 4999200 411.547 88.6964 -279.109 88.6961 -207.838 156.941 -279.109 156.941 224.811 GPRESSURE: 4999200 416.041 31.3121 -251.818 7.43819 -170.419 150.761 -73.2168 203.831 247.072 PRESSAVG: 4999200 13.4283 12.9397 -35.139 12.9397 -20.931 69.3383 -35.139 69.3382 -2.13659 GPRESSAVG: 4999200 14.4364 12.7718 -37.0893 13.4392 -21.729 70.4956 -33.747 68.8737 -2.92685 TIMING: 4999200 CPU: 15607.2, 0.00309367/step Wall: 15607.2, 0.00309367/step, 0.000687483 hours remaining, 234.648438 MB of memory in use. ENERGY: 4999200 3973.5612 20586.5461 14371.4747 260.0878 -203520.2845 2871.1479 0.0000 0.0000 52089.1698 -109368.2971 299.3572 -161457.4669 -109009.6303 298.8509 142.8402 164.2312 762232.3468 -3.2131 -3.4065 PRESSURE: 4999400 33.5833 19.3959 -103.398 19.396 152.202 17.7786 -103.398 17.7785 211.345 GPRESSURE: 4999400 36.6367 41.8081 -117.305 17.703 259.7 59.5042 -236.421 34.5787 183.764 PRESSAVG: 4999400 24.2996 -27.4036 -16.8687 -27.4036 0.394822 55.7808 -16.8686 55.7809 16.0459 GPRESSAVG: 4999400 23.0466 -27.3559 -18.2852 -27.9955 0.343794 55.4021 -16.5803 54.8402 17.4374 TIMING: 4999400 CPU: 15607.8, 0.00309065/step Wall: 15607.8, 0.00309065/step, 0.000515109 hours remaining, 234.648438 MB of memory in use. ENERGY: 4999400 3918.2890 20612.9568 14403.8370 238.8444 -203385.1955 2754.0635 0.0000 0.0000 52099.5498 -109357.6551 299.4168 -161457.2049 -108999.9149 299.3839 132.3767 160.0336 763208.6265 13.5801 13.6093 PRESSURE: 4999600 99.6576 -21.6959 121.775 -21.6963 146.654 162.566 121.775 162.566 -114.321 GPRESSURE: 4999600 102.678 32.1824 170.846 156.216 182.502 171.068 25.4365 44.5624 -65.4087 PRESSAVG: 4999600 21.3084 12.4715 -6.08674 12.4716 -6.77756 28.0402 -6.08675 28.0401 -2.46752 GPRESSAVG: 4999600 22.1816 15.384 -5.02867 12.9297 -6.37792 26.6792 -8.2208 27.4845 -3.59298 TIMING: 4999600 CPU: 15608.4, 0.00310009/step Wall: 15608.4, 0.00310009/step, 0.000344454 hours remaining, 234.648438 MB of memory in use. ENERGY: 4999600 3920.1566 20464.7004 14453.2873 259.6109 -203245.1725 2702.4158 0.0000 0.0000 52110.6732 -109334.3283 299.4808 -161445.0015 -108977.1099 298.8284 43.9971 73.2569 760873.7754 4.0211 4.0702 PRESSURE: 4999800 -184.035 -174.65 -55.3243 -174.649 11.5325 104.127 -55.3249 104.127 -345.997 GPRESSURE: 4999800 -150.528 -224.982 -32.4835 -156.031 39.995 155.528 81.5127 153.952 -316.355 PRESSAVG: 4999800 -24.5846 38.3774 -4.5898 38.3774 14.8778 46.9109 -4.58982 46.9109 9.69555 GPRESSAVG: 4999800 -23.7245 35.9197 -3.95144 39.923 14.1884 50.1438 -4.33246 47.8062 9.77426 TIMING: 4999800 CPU: 15609.1, 0.00308974/step Wall: 15609.1, 0.00308974/step, 0.000171652 hours remaining, 234.648438 MB of memory in use. ENERGY: 4999800 3986.2060 20523.1499 14454.3521 258.8617 -203272.9940 2844.4060 0.0000 0.0000 51845.7736 -109360.2446 297.9584 -161206.0182 -108997.8785 299.2239 -172.8332 -142.2961 763352.8654 -0.0037 0.0794 PRESSURE: 5000000 261.718 164.146 -369.602 164.146 -312.083 -105.188 -369.602 -105.188 -231.303 GPRESSURE: 5000000 302.971 102.926 -368.55 144.056 -300.426 -120.337 -308.929 -81.8738 -189.382 PRESSAVG: 5000000 -25.8997 -5.99766 1.05839 -5.99766 -45.1364 -21.665 1.0584 -21.665 -6.52073 GPRESSAVG: 5000000 -27.0209 -5.40624 -0.347587 -8.97826 -44.8723 -22.8135 2.3499 -23.2358 -5.35831 TIMING: 5000000 CPU: 15609.7, 0.00310683/step Wall: 15609.7, 0.00310683/step, 0 hours remaining, 234.648438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 5000000 3993.6305 20537.1928 14414.7088 247.4703 -202873.9272 2409.2707 0.0000 0.0000 51950.1930 -109321.4612 298.5585 -161271.6542 -108962.9828 298.9447 -93.8896 -62.2791 764023.1412 -25.8523 -25.7505 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 5000000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 5000000 WRITING COORDINATES TO RESTART FILE AT STEP 5000000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 5000000 FINISHED WRITING RESTART VELOCITIES WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 5000000 CLOSING EXTENDED SYSTEM TRAJECTORY FILE WRITING COORDINATES TO OUTPUT FILE AT STEP 5000000 CLOSING COORDINATE DCD FILE MD.dcd WRITING VELOCITIES TO OUTPUT FILE AT STEP 5000000 ==================================================== WallClock: 15622.595703 CPUTime: 15622.595703 Memory: 234.761719 MB [Partition 0][Node 0] End of program Application 48636114 resources: utime ~2456810s, stime ~36164s, Rss ~244352, inblocks ~422614, outblocks ~1178156